smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666973066 1197303518 /nfs/dbraw/zinc/30/35/18/1197303518.db2.gz ZHOASQLGDWDBMA-KGLIPLIRSA-N 0 3 319.474 3.159 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001134118915 1083244756 /nfs/dbraw/zinc/24/47/56/1083244756.db2.gz JDSZPJANLIXDBW-NNQLKGDCSA-N 0 3 319.276 3.372 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1nc(C)sc1C ZINC001169705306 1081634031 /nfs/dbraw/zinc/63/40/31/1081634031.db2.gz IKUWUQKRUKELQJ-CYBMUJFWSA-N 0 3 323.506 3.491 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2csnc2C)C1 ZINC001266315438 1081659014 /nfs/dbraw/zinc/65/90/14/1081659014.db2.gz WCEBBWUQRWNKAB-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001167116880 1081713238 /nfs/dbraw/zinc/71/32/38/1081713238.db2.gz XISIOODBXDBZRL-FQEVSTJZSA-N 0 3 322.408 3.288 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001108860004 1081725205 /nfs/dbraw/zinc/72/52/05/1081725205.db2.gz XWHKXILINKYXDI-RDBSUJKOSA-N 0 3 302.409 3.334 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC001266388472 1081731553 /nfs/dbraw/zinc/73/15/53/1081731553.db2.gz FFRVWQGOGBMYTB-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1CC ZINC001109046053 1081755028 /nfs/dbraw/zinc/75/50/28/1081755028.db2.gz HUIPWYDTWVMTCF-QYZOEREBSA-N 0 3 312.457 3.437 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1ccc(Cl)nc1)C1CC1 ZINC001266412757 1081769356 /nfs/dbraw/zinc/76/93/56/1081769356.db2.gz ZMBRWPVDDHADJO-HNNXBMFYSA-N 0 3 321.852 3.076 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001109208558 1081784061 /nfs/dbraw/zinc/78/40/61/1081784061.db2.gz TZWDPOPUDFUUGA-QYZOEREBSA-N 0 3 310.441 3.020 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C2 ZINC001109263538 1081794362 /nfs/dbraw/zinc/79/43/62/1081794362.db2.gz DUARNGJCPUELDA-BDXSIMOUSA-N 0 3 322.493 3.125 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001266434871 1081804374 /nfs/dbraw/zinc/80/43/74/1081804374.db2.gz RSSZQEHSRDEUPM-CYBMUJFWSA-N 0 3 306.475 3.111 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C(F)(F)F)CC1)C2 ZINC001109397577 1081824495 /nfs/dbraw/zinc/82/44/95/1081824495.db2.gz IBUVYOQVZKVLCR-AGIUHOORSA-N 0 3 316.367 3.017 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ccsc1)C2 ZINC001109430423 1081833487 /nfs/dbraw/zinc/83/34/87/1081833487.db2.gz QSFHVHNAZXDSCT-IKGGRYGDSA-N 0 3 318.486 3.368 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109768019 1081910901 /nfs/dbraw/zinc/91/09/01/1081910901.db2.gz VKJFIPAEEDQVKM-IKGGRYGDSA-N 0 3 322.493 3.125 20 30 DGEDHN CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001110023474 1081950905 /nfs/dbraw/zinc/95/09/05/1081950905.db2.gz SZADCFNPUWKHOI-BDXSIMOUSA-N 0 3 324.509 3.493 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)c1ccccc1)C2 ZINC001110070245 1081958468 /nfs/dbraw/zinc/95/84/68/1081958468.db2.gz RWBJTQDINBPYNC-FYQPLNBISA-N 0 3 324.468 3.315 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCC1(CNCc2ccns2)CC1 ZINC001167335923 1081981351 /nfs/dbraw/zinc/98/13/51/1081981351.db2.gz UFEVVFNPQPWLIH-UHFFFAOYSA-N 0 3 321.490 3.122 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001112850708 1082022860 /nfs/dbraw/zinc/02/28/60/1082022860.db2.gz BUPUNISOCDEUMX-UHFFFAOYSA-N 0 3 324.509 3.330 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001167363437 1082027165 /nfs/dbraw/zinc/02/71/65/1082027165.db2.gz XZCCYWALOMEOBR-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001279111180 1082027551 /nfs/dbraw/zinc/02/75/51/1082027551.db2.gz IWBAMACYCAUCHZ-OOFWQKGWSA-N 0 3 324.468 3.248 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001266581162 1082029830 /nfs/dbraw/zinc/02/98/30/1082029830.db2.gz SUSOFKSSFOCHGE-UBHSHLNASA-N 0 3 308.372 3.229 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2ccc(C)cc2Cl)C1 ZINC001266581322 1082029892 /nfs/dbraw/zinc/02/98/92/1082029892.db2.gz XVUDTOSPKQHLHY-SHTZXODSSA-N 0 3 306.837 3.351 20 30 DGEDHN CC(C)CCC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001170087335 1082051351 /nfs/dbraw/zinc/05/13/51/1082051351.db2.gz CWSXUYGACXGETR-INIZCTEOSA-N 0 3 300.450 3.290 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cncc2sccc21)C1CC1 ZINC001266607449 1082058623 /nfs/dbraw/zinc/05/86/23/1082058623.db2.gz YZAKFAFWSNHTNA-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CN(C)/C=N/c1ccc(NCc2ccc(C#N)c(F)c2)cc1C#N ZINC001170095348 1082078174 /nfs/dbraw/zinc/07/81/74/1082078174.db2.gz DSGXTLGGIORKCE-FSJBWODESA-N 0 3 321.359 3.403 20 30 DGEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccco2)C1 ZINC001086569932 1082079558 /nfs/dbraw/zinc/07/95/58/1082079558.db2.gz YIKPJLWXBVJGBY-DLBZAZTESA-N 0 3 310.397 3.054 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001266626468 1082091707 /nfs/dbraw/zinc/09/17/07/1082091707.db2.gz LGRTUOPRPLDBFM-UBHSHLNASA-N 0 3 324.827 3.309 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC001283091808 1082167255 /nfs/dbraw/zinc/16/72/55/1082167255.db2.gz LVSDSRFSDYQLME-TUUVXOQKSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001113287738 1082170354 /nfs/dbraw/zinc/17/03/54/1082170354.db2.gz VTJYXGWUSJHPJC-SFHVURJKSA-N 0 3 314.473 3.345 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C(CC(C)C)CC(C)C)C1 ZINC001266770063 1082205108 /nfs/dbraw/zinc/20/51/08/1082205108.db2.gz NZHOMVOZSZSYJD-KRWDZBQOSA-N 0 3 306.494 3.156 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CNCc2nc(C)cs2)C1 ZINC001266804209 1082226587 /nfs/dbraw/zinc/22/65/87/1082226587.db2.gz DJYWDRODUYHOLN-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2csc(C)c2)CC1 ZINC001266828126 1082246683 /nfs/dbraw/zinc/24/66/83/1082246683.db2.gz OJQOLMWSNDTLBR-UHFFFAOYSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC001113566322 1082252622 /nfs/dbraw/zinc/25/26/22/1082252622.db2.gz PFVSNBSUFIAJCF-MRXNPFEDSA-N 0 3 318.436 3.176 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001086602243 1082267430 /nfs/dbraw/zinc/26/74/30/1082267430.db2.gz PHDLAEGYOKAZAJ-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cccc(C)c1 ZINC001266853302 1082267760 /nfs/dbraw/zinc/26/77/60/1082267760.db2.gz JQPLDMQKOICUMI-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001266894951 1082311905 /nfs/dbraw/zinc/31/19/05/1082311905.db2.gz LAILVYJFVCKNGN-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001480906579 1082376272 /nfs/dbraw/zinc/37/62/72/1082376272.db2.gz CFVRCPIQCAFVPW-MJGOQNOKSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001267055800 1082461245 /nfs/dbraw/zinc/46/12/45/1082461245.db2.gz PLDGRPOOJFQNBR-NCRBREQGSA-N 0 3 319.276 3.346 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001170452424 1082478997 /nfs/dbraw/zinc/47/89/97/1082478997.db2.gz XSQNMIKTNUSJEO-VQTJNVASSA-N 0 3 312.457 3.426 20 30 DGEDHN CC#CCCCC(=O)NCC[C@@H](C)NCc1c(F)cccc1F ZINC001267138713 1082554757 /nfs/dbraw/zinc/55/47/57/1082554757.db2.gz ADAFXZVHVMZCKF-CQSZACIVSA-N 0 3 322.399 3.143 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1c(F)cccc1F ZINC001267139967 1082557117 /nfs/dbraw/zinc/55/71/17/1082557117.db2.gz MAHPBCGQIGEIMU-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](C)NCc1c(F)cccc1F ZINC001267139966 1082557180 /nfs/dbraw/zinc/55/71/80/1082557180.db2.gz MAHPBCGQIGEIMU-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCCCC(=O)NCCN(C)Cc1ccccc1C(C)C ZINC001267193760 1082622515 /nfs/dbraw/zinc/62/25/15/1082622515.db2.gz VWDSFSNHJYRWQJ-UHFFFAOYSA-N 0 3 300.446 3.162 20 30 DGEDHN Cn1cccc1[C@H]1CCCCN1C[C@H](O)c1cccc(C#N)c1 ZINC001167633967 1082628452 /nfs/dbraw/zinc/62/84/52/1082628452.db2.gz HBHUPCKKXCJTKT-MOPGFXCFSA-N 0 3 309.413 3.157 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCOc1cccc(C)c1 ZINC001267211098 1082642857 /nfs/dbraw/zinc/64/28/57/1082642857.db2.gz TXHVIFJWYLCGRW-UHFFFAOYSA-N 0 3 318.461 3.024 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001267215019 1082647470 /nfs/dbraw/zinc/64/74/70/1082647470.db2.gz FXMDPLPDYFWOQJ-HNAYVOBHSA-N 0 3 318.461 3.407 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001086666878 1082665611 /nfs/dbraw/zinc/66/56/11/1082665611.db2.gz IJMOSQAZHBOIIS-QWHCGFSZSA-N 0 3 312.885 3.296 20 30 DGEDHN C[C@@H](CC(C)(C)C)C(=O)NCCCNCc1ccccc1C#N ZINC001167665351 1082689983 /nfs/dbraw/zinc/68/99/83/1082689983.db2.gz ZZFIEIJBMHGNLA-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001167666848 1082693709 /nfs/dbraw/zinc/69/37/09/1082693709.db2.gz CWDVHJJHKCOHRP-LRDDRELGSA-N 0 3 300.874 3.297 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001267249721 1082700979 /nfs/dbraw/zinc/70/09/79/1082700979.db2.gz TYNHXZGAEDXYCT-VXGBXAGGSA-N 0 3 312.866 3.129 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@@H](C)O2 ZINC001131681817 1082702852 /nfs/dbraw/zinc/70/28/52/1082702852.db2.gz IPSLEEGMPBPBGC-APWZRJJASA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1cccc(CC)c1 ZINC001267268094 1082727968 /nfs/dbraw/zinc/72/79/68/1082727968.db2.gz WASMRKPFXXBYKA-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2c(C)nsc2C)C1 ZINC001279236349 1082759880 /nfs/dbraw/zinc/75/98/80/1082759880.db2.gz PRYFJNLRDSUUMV-UHFFFAOYSA-N 0 3 321.490 3.195 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001267315637 1082783414 /nfs/dbraw/zinc/78/34/14/1082783414.db2.gz QDKQKILFXCGEAB-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1coc2ccc(Cl)cc12 ZINC001267319964 1082790583 /nfs/dbraw/zinc/79/05/83/1082790583.db2.gz VMNFTLYBXBLRFA-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1conc1C1CCCC1)C1CC1 ZINC001267325627 1082798411 /nfs/dbraw/zinc/79/84/11/1082798411.db2.gz HAZUFAQFCXLKQY-UHFFFAOYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132034875 1082799612 /nfs/dbraw/zinc/79/96/12/1082799612.db2.gz VYBOUSJDJBISRX-QZTJIDSGSA-N 0 3 322.493 3.295 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)N(CCOC(C)C)C1 ZINC001132056700 1082802733 /nfs/dbraw/zinc/80/27/33/1082802733.db2.gz BWODKGNVCDVDQT-WMZOPIPTSA-N 0 3 322.493 3.149 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CCC)c1ccc(C(C)C)cc1 ZINC001267340140 1082817630 /nfs/dbraw/zinc/81/76/30/1082817630.db2.gz FHUZTDLXLYXNTH-GOSISDBHSA-N 0 3 300.446 3.380 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\c2cccc(F)c2)CC[C@H]1C ZINC001132113873 1082821692 /nfs/dbraw/zinc/82/16/92/1082821692.db2.gz FPJMKICGKQUOCD-JYAXHDLFSA-N 0 3 316.420 3.384 20 30 DGEDHN O=C(C#CC1CC1)NC[C@H](NCC1=CCCCC1)c1ccccc1 ZINC001267358417 1082830409 /nfs/dbraw/zinc/83/04/09/1082830409.db2.gz ZAFZSJKUZORJGH-FQEVSTJZSA-N 0 3 322.452 3.347 20 30 DGEDHN C=CCN[C@H](CNC(=O)CCc1ccsc1)c1ccccc1 ZINC001267361705 1082833096 /nfs/dbraw/zinc/83/30/96/1082833096.db2.gz GIGNVKWFQQIPHY-QGZVFWFLSA-N 0 3 314.454 3.314 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)cc2C)CC[C@H]1C ZINC001132207356 1082840205 /nfs/dbraw/zinc/84/02/05/1082840205.db2.gz TXAAIACVYYGPDM-MJGOQNOKSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc[nH]c1CCC)c1ccccc1 ZINC001267371064 1082840567 /nfs/dbraw/zinc/84/05/67/1082840567.db2.gz WCTRIVHVMVPMNT-SFHVURJKSA-N 0 3 311.429 3.214 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cccc(Cl)c2)CC[C@H]1C ZINC001132202072 1082842312 /nfs/dbraw/zinc/84/23/12/1082842312.db2.gz BSTIPZPYUVQAMJ-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211621890 1082844776 /nfs/dbraw/zinc/84/47/76/1082844776.db2.gz FLMGHBZKOPPVAI-LSTHTHJFSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCCCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001267421850 1082874609 /nfs/dbraw/zinc/87/46/09/1082874609.db2.gz SBKJSLMRGXGWHF-ZDUSSCGKSA-N 0 3 310.388 3.430 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001132304564 1082875885 /nfs/dbraw/zinc/87/58/85/1082875885.db2.gz VATBEPHXSUUNNG-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001267423958 1082877610 /nfs/dbraw/zinc/87/76/10/1082877610.db2.gz YKJMWAHZKZYXDI-ZACQAIPSSA-N 0 3 310.457 3.404 20 30 DGEDHN C#Cc1ccccc1CC(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001480940447 1082880815 /nfs/dbraw/zinc/88/08/15/1082880815.db2.gz HGPLOJJKXWTUMV-KRWDZBQOSA-N 0 3 320.436 3.020 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001267443535 1082885788 /nfs/dbraw/zinc/88/57/88/1082885788.db2.gz REIXBQMKAZHPJK-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccccc2C)CC[C@@H]1C ZINC001132326590 1082886670 /nfs/dbraw/zinc/88/66/70/1082886670.db2.gz FZOOTBNOLMSWKO-WMZOPIPTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccccc2C)CC[C@H]1C ZINC001132326587 1082886884 /nfs/dbraw/zinc/88/68/84/1082886884.db2.gz FZOOTBNOLMSWKO-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN CN(C)/C=N/c1ccc(NCCc2ccc(C#N)cc2)cc1C#N ZINC001167679136 1082899591 /nfs/dbraw/zinc/89/95/91/1082899591.db2.gz HZDLQNYUZAUNDD-OEAKJJBVSA-N 0 3 317.396 3.306 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132436801 1082910099 /nfs/dbraw/zinc/91/00/99/1082910099.db2.gz ONCFUHAVJCJYSB-IAGOWNOFSA-N 0 3 312.498 3.353 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CCCC3)C(C)(C)[C@@H]21 ZINC001087271335 1082919547 /nfs/dbraw/zinc/91/95/47/1082919547.db2.gz QLCLMHDDWUMCEM-BHIYHBOVSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132472890 1082920664 /nfs/dbraw/zinc/92/06/64/1082920664.db2.gz NOGQDULCQOGMFJ-CABCVRRESA-N 0 3 306.475 3.226 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001480949907 1082925381 /nfs/dbraw/zinc/92/53/81/1082925381.db2.gz NPULTUIHYIHQFJ-OAHLLOKOSA-N 0 3 306.425 3.019 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CCCCCC1 ZINC001087277876 1082930478 /nfs/dbraw/zinc/93/04/78/1082930478.db2.gz WPOATLUAVFZJBJ-FGTMMUONSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cc(C)sc2C)CC[C@@H]1C ZINC001132524489 1082934113 /nfs/dbraw/zinc/93/41/13/1082934113.db2.gz HSYISIVTFWRKKW-GUYCJALGSA-N 0 3 320.502 3.453 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)CCCCC1 ZINC001132528305 1082934920 /nfs/dbraw/zinc/93/49/20/1082934920.db2.gz BKHSEVRZSKSRMJ-IAGOWNOFSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@@H]1C ZINC001132530351 1082935347 /nfs/dbraw/zinc/93/53/47/1082935347.db2.gz XFLWORYTZWRIDS-UONOGXRCSA-N 0 3 321.490 3.254 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001132529290 1082935603 /nfs/dbraw/zinc/93/56/03/1082935603.db2.gz LBFHAYAMEXAHDG-OLZOCXBDSA-N 0 3 310.438 3.436 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001132569784 1082948639 /nfs/dbraw/zinc/94/86/39/1082948639.db2.gz YPGDIBWCRHJJTI-WDEREUQCSA-N 0 3 300.855 3.066 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccccc3CC)C(C)(C)[C@H]21 ZINC001087302349 1082972136 /nfs/dbraw/zinc/97/21/36/1082972136.db2.gz ROYBGECPYSHBLK-QYZOEREBSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132659404 1082973339 /nfs/dbraw/zinc/97/33/39/1082973339.db2.gz UWKYSIYDOORRPR-CVEARBPZSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001132659874 1082973539 /nfs/dbraw/zinc/97/35/39/1082973539.db2.gz FMNUTFXIYARFFH-PXAZEXFGSA-N 0 3 322.399 3.260 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(C)cc1 ZINC001087314158 1082985586 /nfs/dbraw/zinc/98/55/86/1082985586.db2.gz GNBDUGNQWIBOOI-CEXWTWQISA-N 0 3 324.468 3.237 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C)ccc1C ZINC001087315045 1082986444 /nfs/dbraw/zinc/98/64/44/1082986444.db2.gz VPEJFZIRSNAWDB-NZSAHSFTSA-N 0 3 324.468 3.155 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC2CC(OCC)C2)C1 ZINC001267547380 1083017870 /nfs/dbraw/zinc/01/78/70/1083017870.db2.gz WYICKHSUWAHIED-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccn(C)c2CC)C1 ZINC001267547375 1083018242 /nfs/dbraw/zinc/01/82/42/1083018242.db2.gz MHCSYNRCUSVLLC-INIZCTEOSA-N 0 3 317.477 3.090 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@@H](C)c1cccc(F)c1 ZINC001480971905 1083055315 /nfs/dbraw/zinc/05/53/15/1083055315.db2.gz URBVLJHHYSYXEJ-HNNXBMFYSA-N 0 3 304.409 3.128 20 30 DGEDHN N=C(N[C@H]1CCc2cc(F)cc(F)c2C1)c1ccc(Cl)cn1 ZINC001170665422 1083067739 /nfs/dbraw/zinc/06/77/39/1083067739.db2.gz LPWSLLCGZHZIBP-LBPRGKRZSA-N 0 3 321.758 3.276 20 30 DGEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001140820001 1083079195 /nfs/dbraw/zinc/07/91/95/1083079195.db2.gz SRGAOVHCKDUVNK-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN C=CCCC1(C(=O)NCCN[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001133374326 1083108743 /nfs/dbraw/zinc/10/87/43/1083108743.db2.gz UCPFOSLRYLJYAD-CYBMUJFWSA-N 0 3 322.399 3.478 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001133378616 1083109465 /nfs/dbraw/zinc/10/94/65/1083109465.db2.gz ISRNPMNWPFMZTC-INIZCTEOSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(C)c(F)c2)CCC1 ZINC001133395698 1083114962 /nfs/dbraw/zinc/11/49/62/1083114962.db2.gz XBFQVMQFJITJPN-UHFFFAOYSA-N 0 3 304.409 3.086 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCCF ZINC001133403700 1083115862 /nfs/dbraw/zinc/11/58/62/1083115862.db2.gz FGQLSMSUJAKSMO-UHFFFAOYSA-N 0 3 324.827 3.031 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@@H](CN(C)CCF)C1)c1ccccc1 ZINC001267596598 1083128581 /nfs/dbraw/zinc/12/85/81/1083128581.db2.gz NMSHDMRAAMMCKJ-DLBZAZTESA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001481059870 1083141405 /nfs/dbraw/zinc/14/14/05/1083141405.db2.gz FOXNHLCMHAENGG-MOPGFXCFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(OCCCC)cc1 ZINC001481070060 1083148894 /nfs/dbraw/zinc/14/88/94/1083148894.db2.gz LRJSZSSILGUSLB-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1C ZINC001104664586 1083179859 /nfs/dbraw/zinc/17/98/59/1083179859.db2.gz MICIWHWTRMWRFP-TZMCWYRMSA-N 0 3 310.869 3.003 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)CC(C)(C)C ZINC001133731315 1083185625 /nfs/dbraw/zinc/18/56/25/1083185625.db2.gz NGNYTZIFUUZASY-LSDHHAIUSA-N 0 3 315.461 3.367 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)C(CC)CC ZINC001133769566 1083194622 /nfs/dbraw/zinc/19/46/22/1083194622.db2.gz QVWKFGDYEHBMDH-NWDGAFQWSA-N 0 3 319.287 3.204 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133889465 1083207971 /nfs/dbraw/zinc/20/79/71/1083207971.db2.gz XAGIIGMIPBUPGO-KBPBESRZSA-N 0 3 317.408 3.036 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(-c2ccco2)s1 ZINC001481149168 1083213234 /nfs/dbraw/zinc/21/32/34/1083213234.db2.gz FMFZENJLAOXFLE-UHFFFAOYSA-N 0 3 316.426 3.083 20 30 DGEDHN CC(C)C#CC(=O)NCCN([C@H](C)c1ccc(F)cc1)C1CC1 ZINC001481167761 1083220880 /nfs/dbraw/zinc/22/08/80/1083220880.db2.gz CPICRHXKEVERHH-OAHLLOKOSA-N 0 3 316.420 3.127 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001267625033 1083227094 /nfs/dbraw/zinc/22/70/94/1083227094.db2.gz UPQONQHNBYWKIL-INIZCTEOSA-N 0 3 318.486 3.065 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)CC1CCC1)NCc1ccccc1C#N ZINC001134026709 1083228979 /nfs/dbraw/zinc/22/89/79/1083228979.db2.gz RZDYLCWBLWLCLM-CABCVRRESA-N 0 3 313.445 3.121 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001267630104 1083232764 /nfs/dbraw/zinc/23/27/64/1083232764.db2.gz YUDJMNSCLKKGPU-AZUAARDMSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(-c2ccccc2)[nH]1)C1CC1 ZINC001481198776 1083240536 /nfs/dbraw/zinc/24/05/36/1083240536.db2.gz CRLJVDCCIOWKQN-UHFFFAOYSA-N 0 3 323.440 3.452 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCCCc1ccc(C)cc1 ZINC001283722676 1083241636 /nfs/dbraw/zinc/24/16/36/1083241636.db2.gz LWLBMDYXMPWIDW-SFHVURJKSA-N 0 3 314.473 3.168 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001267704382 1083273345 /nfs/dbraw/zinc/27/33/45/1083273345.db2.gz OLVAKMPELPDXNI-ULQDDVLXSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001267710920 1083276310 /nfs/dbraw/zinc/27/63/10/1083276310.db2.gz DDFFURQPBUMDSE-ULQDDVLXSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001267710674 1083276545 /nfs/dbraw/zinc/27/65/45/1083276545.db2.gz YCJZMLVQNNSDDC-KFGODFMUSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCCC1 ZINC001267714022 1083277578 /nfs/dbraw/zinc/27/75/78/1083277578.db2.gz UZWMVRXCMBENOA-PMPSAXMXSA-N 0 3 308.441 3.299 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001267731077 1083289358 /nfs/dbraw/zinc/28/93/58/1083289358.db2.gz MTEMLZFRXXTNQG-MSOLQXFVSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134469963 1083294245 /nfs/dbraw/zinc/29/42/45/1083294245.db2.gz KLURVCXPNAATOT-HZPDHXFCSA-N 0 3 313.445 3.287 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134469964 1083294316 /nfs/dbraw/zinc/29/43/16/1083294316.db2.gz KLURVCXPNAATOT-JKSUJKDBSA-N 0 3 313.445 3.287 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134469961 1083294459 /nfs/dbraw/zinc/29/44/59/1083294459.db2.gz KLURVCXPNAATOT-CVEARBPZSA-N 0 3 313.445 3.287 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001134475328 1083297606 /nfs/dbraw/zinc/29/76/06/1083297606.db2.gz BAAODJRRRQHDPB-JKSUJKDBSA-N 0 3 320.481 3.193 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001134475959 1083298251 /nfs/dbraw/zinc/29/82/51/1083298251.db2.gz KOSWHAOIQBRMBT-QWHCGFSZSA-N 0 3 307.438 3.021 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001267742879 1083309344 /nfs/dbraw/zinc/30/93/44/1083309344.db2.gz CXOGYITYRJUZDZ-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccoc2CCC)CC1 ZINC001167733065 1083311047 /nfs/dbraw/zinc/31/10/47/1083311047.db2.gz UBVWLNTWWQXNFL-UHFFFAOYSA-N 0 3 324.852 3.474 20 30 DGEDHN C=CCCCC(=O)N1CCC(CN(C)Cc2ocnc2C)CC1 ZINC001267745701 1083312481 /nfs/dbraw/zinc/31/24/81/1083312481.db2.gz CEFBWQAIAAJMED-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267748030 1083314448 /nfs/dbraw/zinc/31/44/48/1083314448.db2.gz MFQVVKJQPXYDQZ-FUHWJXTLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001267748024 1083314836 /nfs/dbraw/zinc/31/48/36/1083314836.db2.gz MCBWRBMGXMSLKS-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN([C@@H](C)c2cccc(OC)c2)C1 ZINC001267757354 1083323241 /nfs/dbraw/zinc/32/32/41/1083323241.db2.gz BUSSEEZKAVQISZ-DOTOQJQBSA-N 0 3 316.445 3.255 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001267763798 1083327341 /nfs/dbraw/zinc/32/73/41/1083327341.db2.gz LYODHQRSXJPABB-QGZVFWFLSA-N 0 3 318.486 3.201 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481248608 1083331419 /nfs/dbraw/zinc/33/14/19/1083331419.db2.gz PFAJEMXEYKHDFD-OAHLLOKOSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001267771646 1083334918 /nfs/dbraw/zinc/33/49/18/1083334918.db2.gz KSCYTHGOJXMVEP-RHSMWYFYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cc(C)ccc2F)C1 ZINC001267790502 1083349063 /nfs/dbraw/zinc/34/90/63/1083349063.db2.gz PSQZTJDMEQZCOF-KRWDZBQOSA-N 0 3 318.436 3.176 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112069665 1083350347 /nfs/dbraw/zinc/35/03/47/1083350347.db2.gz IFZUBOUTFVBODH-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001267792863 1083351052 /nfs/dbraw/zinc/35/10/52/1083351052.db2.gz BQAMFWDYWVLVJB-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001180905104 1083365070 /nfs/dbraw/zinc/36/50/70/1083365070.db2.gz CGTVYHXOTMGSIS-UHFFFAOYSA-N 0 3 304.365 3.112 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(F)c2)CCCC1 ZINC001267832404 1083408460 /nfs/dbraw/zinc/40/84/60/1083408460.db2.gz RGAZXLLZMLNINJ-UHFFFAOYSA-N 0 3 310.800 3.210 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2c(C)coc2C)C1 ZINC001267883970 1083514639 /nfs/dbraw/zinc/51/46/39/1083514639.db2.gz OHUMBFFAKRMGHV-HNNXBMFYSA-N 0 3 324.852 3.481 20 30 DGEDHN C#Cc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC001181880678 1083570104 /nfs/dbraw/zinc/57/01/04/1083570104.db2.gz YNKSFBKLYVBCAT-UHFFFAOYSA-N 0 3 301.773 3.325 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001267953248 1083640344 /nfs/dbraw/zinc/64/03/44/1083640344.db2.gz IVABFUQRADMHJM-IEBWSBKVSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001267967039 1083666393 /nfs/dbraw/zinc/66/63/93/1083666393.db2.gz WGSAJTXYGLZSBP-LKQLOZHYSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)=O)C2 ZINC001110287254 1083704868 /nfs/dbraw/zinc/70/48/68/1083704868.db2.gz WPQGXGDRJDINIQ-KURKYZTESA-N 0 3 320.477 3.214 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481302671 1083731640 /nfs/dbraw/zinc/73/16/40/1083731640.db2.gz GKJZMKJGTKIWQR-MRXNPFEDSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H](C)NC/C(Cl)=C/Cl)CC1 ZINC001481327983 1083772211 /nfs/dbraw/zinc/77/22/11/1083772211.db2.gz JPLJLGYKPJTPNP-GVIGZQTCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211667173 1083790803 /nfs/dbraw/zinc/79/08/03/1083790803.db2.gz XQWKGAXHFZPEPQ-ZVDOUQERSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)Cc1cccs1)c1ccccc1 ZINC001481361182 1083821797 /nfs/dbraw/zinc/82/17/97/1083821797.db2.gz GARLKKVIJAIQOO-KRWDZBQOSA-N 0 3 314.454 3.314 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(C)cs1)c1ccccc1 ZINC001481364291 1083824496 /nfs/dbraw/zinc/82/44/96/1083824496.db2.gz FOUCXZWBLRDZBB-HNNXBMFYSA-N 0 3 300.427 3.303 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccncc1C)c1ccccc1 ZINC001481364913 1083824716 /nfs/dbraw/zinc/82/47/16/1083824716.db2.gz LTKGRCSQOZMHFG-GOSISDBHSA-N 0 3 309.413 3.027 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)C1CCC1)c1ccccc1 ZINC001481366140 1083826129 /nfs/dbraw/zinc/82/61/29/1083826129.db2.gz VWUCNJYFRSGFGP-QAPCUYQASA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc(F)c1C)c1ccccc1 ZINC001481366184 1083826579 /nfs/dbraw/zinc/82/65/79/1083826579.db2.gz CLUGMDXWZHNTOO-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(OC)c1C)c1ccccc1 ZINC001481370757 1083830729 /nfs/dbraw/zinc/83/07/29/1083830729.db2.gz LCNKJTMGPYOTFU-SFHVURJKSA-N 0 3 324.424 3.250 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2oc(CC)nc2C)C1 ZINC001481409694 1083879727 /nfs/dbraw/zinc/87/97/27/1083879727.db2.gz QVQOEGLQHGTMEB-OAHLLOKOSA-N 0 3 319.449 3.048 20 30 DGEDHN CC(C)[C@H](C(=O)N(CCC#N)Cc1ccc(Cl)cc1)N(C)C ZINC001183362280 1083926203 /nfs/dbraw/zinc/92/62/03/1083926203.db2.gz IJFQOSBUSXMSRP-MRXNPFEDSA-N 0 3 321.852 3.168 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001268039543 1083940662 /nfs/dbraw/zinc/94/06/62/1083940662.db2.gz XQRIEZXZVFGWSB-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](CCC)C(C)C)CC2 ZINC001268046584 1083998448 /nfs/dbraw/zinc/99/84/48/1083998448.db2.gz GBEHOQOYNGMFGI-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268056656 1084052529 /nfs/dbraw/zinc/05/25/29/1084052529.db2.gz UOVXQGHTVQECEZ-CVEARBPZSA-N 0 3 318.436 3.050 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183898180 1084055149 /nfs/dbraw/zinc/05/51/49/1084055149.db2.gz KRJIBRLGKRQTKO-CVEARBPZSA-N 0 3 316.445 3.046 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001268058590 1084062729 /nfs/dbraw/zinc/06/27/29/1084062729.db2.gz AENJQJVWCLYHIT-GJZGRUSLSA-N 0 3 320.864 3.497 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001481529915 1084085489 /nfs/dbraw/zinc/08/54/89/1084085489.db2.gz RYRXMVRVFVFJRG-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001481534488 1084094720 /nfs/dbraw/zinc/09/47/20/1084094720.db2.gz VPOWAYJDWDUYIG-IBGZPJMESA-N 0 3 312.457 3.043 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001481537165 1084106343 /nfs/dbraw/zinc/10/63/43/1084106343.db2.gz KFSXHUDEQBFRLV-HOCLYGCPSA-N 0 3 314.420 3.215 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001268105590 1084176512 /nfs/dbraw/zinc/17/65/12/1084176512.db2.gz OJWWUDKJNDKUCU-ZHDLZBQGSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccns1 ZINC001268194220 1084303849 /nfs/dbraw/zinc/30/38/49/1084303849.db2.gz XYVKOUSNGOLLHA-HOCLYGCPSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001185050137 1084321751 /nfs/dbraw/zinc/32/17/51/1084321751.db2.gz QKYHKYBKKQINSA-IUODEOHRSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001185056383 1084324331 /nfs/dbraw/zinc/32/43/31/1084324331.db2.gz LLOHBHOJQQOUML-SUMWQHHRSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001185064134 1084327724 /nfs/dbraw/zinc/32/77/24/1084327724.db2.gz MHWJWBXUIMIBDP-LSDHHAIUSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1ccc(F)cn1)C(C)C ZINC001268215977 1084341487 /nfs/dbraw/zinc/34/14/87/1084341487.db2.gz DXTJHDCCZMHJAZ-WMZOPIPTSA-N 0 3 321.440 3.053 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001268223955 1084354036 /nfs/dbraw/zinc/35/40/36/1084354036.db2.gz DYFWUMHUEXOPLJ-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1sccc1CC)C(C)C ZINC001268227012 1084360473 /nfs/dbraw/zinc/36/04/73/1084360473.db2.gz HEMQRVQYZRHJFQ-ZDUSSCGKSA-N 0 3 314.882 3.407 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCc1ccc(F)c(F)c1 ZINC001268244894 1084396168 /nfs/dbraw/zinc/39/61/68/1084396168.db2.gz IQXHBQYCNSQIRG-UHFFFAOYSA-N 0 3 324.415 3.110 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN(C)CC2=CCCCC2)cc1 ZINC001268244973 1084396471 /nfs/dbraw/zinc/39/64/71/1084396471.db2.gz JTEOMBXYXVFXKB-UHFFFAOYSA-N 0 3 310.441 3.172 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001185280808 1084402604 /nfs/dbraw/zinc/40/26/04/1084402604.db2.gz YJDJDIHMCBZFHA-HUUCEWRRSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001268257079 1084420768 /nfs/dbraw/zinc/42/07/68/1084420768.db2.gz SDHORCCSQIOPPC-AEFFLSMTSA-N 0 3 302.462 3.393 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001481664003 1084456612 /nfs/dbraw/zinc/45/66/12/1084456612.db2.gz FXOAYOCXBOIYHN-ROUUACIJSA-N 0 3 316.420 3.471 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001481670262 1084465360 /nfs/dbraw/zinc/46/53/60/1084465360.db2.gz OCRYKXSWRJDITH-KBMXLJTQSA-N 0 3 302.418 3.150 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccn(C)c2c1 ZINC001481681549 1084471793 /nfs/dbraw/zinc/47/17/93/1084471793.db2.gz HUTCKVIKRRCDFW-ROUUACIJSA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001481687268 1084477642 /nfs/dbraw/zinc/47/76/42/1084477642.db2.gz URRQFHPVIYLBBI-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001481688905 1084479540 /nfs/dbraw/zinc/47/95/40/1084479540.db2.gz YPQUKCHZYFRJRX-UZLBHIALSA-N 0 3 324.468 3.086 20 30 DGEDHN CCCCCCCN(C)Cc1c(C)nn(CCC(=O)OC)c1C ZINC001139786142 1084489665 /nfs/dbraw/zinc/48/96/65/1084489665.db2.gz ACUXTNBMQSXXHS-UHFFFAOYSA-N 0 3 323.481 3.465 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001481701151 1084490126 /nfs/dbraw/zinc/49/01/26/1084490126.db2.gz WRIDGGAKWFDYQH-CYBMUJFWSA-N 0 3 310.825 3.484 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001481705322 1084495364 /nfs/dbraw/zinc/49/53/64/1084495364.db2.gz VIJYECWWUZBJGG-MRXNPFEDSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC[C@@H](C)F)C2)CCCCC1 ZINC001481709930 1084507387 /nfs/dbraw/zinc/50/73/87/1084507387.db2.gz HZIMSRAGFJBIBT-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C)C1 ZINC001279318396 1084529332 /nfs/dbraw/zinc/52/93/32/1084529332.db2.gz MLKKMZZHXOQNGT-HKUYNNGSSA-N 0 3 312.457 3.064 20 30 DGEDHN Cc1cc(CN2CC[C@@H](N(C)C(=O)C#CC(C)C)C2)c(C)s1 ZINC001481725519 1084535904 /nfs/dbraw/zinc/53/59/04/1084535904.db2.gz AWJOYKNBDWLJEX-QGZVFWFLSA-N 0 3 318.486 3.057 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCC2CCCCCC2)C1 ZINC001481735034 1084550311 /nfs/dbraw/zinc/55/03/11/1084550311.db2.gz IFSUENMEMOZULP-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1ccncc1Cl ZINC001268397286 1084560630 /nfs/dbraw/zinc/56/06/30/1084560630.db2.gz PFGUZZJBXMHETP-GUYCJALGSA-N 0 3 323.868 3.322 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001186075169 1084578566 /nfs/dbraw/zinc/57/85/66/1084578566.db2.gz OHQFGNQAXSKUQL-QZTJIDSGSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1C ZINC001268427772 1084591658 /nfs/dbraw/zinc/59/16/58/1084591658.db2.gz IBBWTSKFXRBWHU-GDBMZVCRSA-N 0 3 322.880 3.411 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccccc2)C1 ZINC001481780010 1084630213 /nfs/dbraw/zinc/63/02/13/1084630213.db2.gz YBUQGXMYJGKZAA-PKOBYXMFSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001481781842 1084635524 /nfs/dbraw/zinc/63/55/24/1084635524.db2.gz IQPGGQGHLRPPTH-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1ccnc(Cl)c1 ZINC001481816219 1084649201 /nfs/dbraw/zinc/64/92/01/1084649201.db2.gz YQNKTWYWXHPTGN-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](CC)NCc2ccccc2F)cc1 ZINC001481838462 1084662165 /nfs/dbraw/zinc/66/21/65/1084662165.db2.gz CBOKDPLMJJVQLH-SFHVURJKSA-N 0 3 324.399 3.105 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCc2scnc2C)CC1 ZINC001481848005 1084665936 /nfs/dbraw/zinc/66/59/36/1084665936.db2.gz KFQPINUGPKYMHC-OAHLLOKOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(C)oc1C)C1CC1 ZINC001481917331 1084702319 /nfs/dbraw/zinc/70/23/19/1084702319.db2.gz VIROWKSTRRGGIH-INIZCTEOSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)oc1C)C1CC1 ZINC001481917335 1084702545 /nfs/dbraw/zinc/70/25/45/1084702545.db2.gz VIROWKSTRRGGIH-MRXNPFEDSA-N 0 3 310.825 3.137 20 30 DGEDHN C[C@@H]1CCCC[C@]1(CNCC#Cc1ccccc1)NC(=O)C1CC1 ZINC001481952178 1084726047 /nfs/dbraw/zinc/72/60/47/1084726047.db2.gz REXNQZHOFAGEBC-DYESRHJHSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCCCN1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001187054429 1084746789 /nfs/dbraw/zinc/74/67/89/1084746789.db2.gz DIPMEKREWCGHMU-LSDHHAIUSA-N 0 3 319.474 3.036 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001187232363 1084772334 /nfs/dbraw/zinc/77/23/34/1084772334.db2.gz BOICRVFURVGITE-UONOGXRCSA-N 0 3 318.383 3.218 20 30 DGEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C=C2CCCCC2)c1 ZINC001268517534 1084781448 /nfs/dbraw/zinc/78/14/48/1084781448.db2.gz KDEHDLXZHCYKKU-PLNGDYQASA-N 0 3 323.440 3.211 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2C)cc1 ZINC001482035982 1084788876 /nfs/dbraw/zinc/78/88/76/1084788876.db2.gz RVSGFKVBGHOWRT-QFBILLFUSA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCCCCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001482068679 1084821595 /nfs/dbraw/zinc/82/15/95/1084821595.db2.gz FDCHGPWLOGDBFI-IZZDOVSWSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)CNCc1c(F)cccc1Cl ZINC001482086535 1084829715 /nfs/dbraw/zinc/82/97/15/1084829715.db2.gz VRYJTZWYDCEVEE-LBPRGKRZSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001482106241 1084840100 /nfs/dbraw/zinc/84/01/00/1084840100.db2.gz YCHWMDWJZOWWNW-OAHLLOKOSA-N 0 3 313.445 3.002 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001268581134 1084847927 /nfs/dbraw/zinc/84/79/27/1084847927.db2.gz VIXQQGZSBBEKJR-FPLPWBNLSA-N 0 3 316.420 3.090 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001268638908 1084907918 /nfs/dbraw/zinc/90/79/18/1084907918.db2.gz CNFDCRSSRYYKKE-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268749830 1085026340 /nfs/dbraw/zinc/02/63/40/1085026340.db2.gz ANVAAHJHZPNCBZ-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001268955329 1085085292 /nfs/dbraw/zinc/08/52/92/1085085292.db2.gz ZHGFUXVMAPFWNR-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(F)F ZINC001268965284 1085088266 /nfs/dbraw/zinc/08/82/66/1085088266.db2.gz MXXFGXIKVOOXNP-KBPBESRZSA-N 0 3 300.393 3.063 20 30 DGEDHN C=CC[C@@H](C)C(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001268967905 1085091454 /nfs/dbraw/zinc/09/14/54/1085091454.db2.gz GJWGWEMROGHGHG-VQIMIIECSA-N 0 3 315.461 3.041 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001269241707 1085231588 /nfs/dbraw/zinc/23/15/88/1085231588.db2.gz XDDJOXVOZJASGO-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001269254749 1085240906 /nfs/dbraw/zinc/24/09/06/1085240906.db2.gz FRJVWTYKTFPZQD-AWEZNQCLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001269255672 1085241515 /nfs/dbraw/zinc/24/15/15/1085241515.db2.gz SECHTBGNOGPLCU-OOFWQKGWSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001269260499 1085245716 /nfs/dbraw/zinc/24/57/16/1085245716.db2.gz GDDXULVTYCNOHU-IBGZPJMESA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001269266571 1085249595 /nfs/dbraw/zinc/24/95/95/1085249595.db2.gz 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CC[C@@H]1[C@@H](NC(=O)C2=CCCC2)CCN1Cc1cccc(C#N)c1 ZINC001087539934 1086252193 /nfs/dbraw/zinc/25/21/93/1086252193.db2.gz UFZABQCDUPGYOF-RBUKOAKNSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC=C)CC1 ZINC001105394317 1086260365 /nfs/dbraw/zinc/26/03/65/1086260365.db2.gz UKXCOYLWQLHXHO-IBGZPJMESA-N 0 3 314.473 3.069 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001271073723 1086275686 /nfs/dbraw/zinc/27/56/86/1086275686.db2.gz BQBYVAIHEQLMCE-ZWKOTPCHSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CCNCc1ocnc1C ZINC001482455815 1086284754 /nfs/dbraw/zinc/28/47/54/1086284754.db2.gz NBXABPWRHFRQAH-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2[C@H](C)CC)[C@H]1CC ZINC001087590159 1086319406 /nfs/dbraw/zinc/31/94/06/1086319406.db2.gz SYBMFFQHOLPUBF-OWCLPIDISA-N 0 3 318.465 3.013 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H]1CC ZINC001087649061 1086341352 /nfs/dbraw/zinc/34/13/52/1086341352.db2.gz 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C=C(Cl)CN[C@@H](CNC(=O)c1ccc(CF)cc1)C(C)C ZINC001482570319 1086947866 /nfs/dbraw/zinc/94/78/66/1086947866.db2.gz CNOSRLDDZGMUEC-HNNXBMFYSA-N 0 3 312.816 3.253 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(CC)CC)CC1 ZINC001168230392 1087064223 /nfs/dbraw/zinc/06/42/23/1087064223.db2.gz FBTNBGMKOABPCQ-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001482633004 1087095494 /nfs/dbraw/zinc/09/54/94/1087095494.db2.gz ZVKURSJAVGRPFE-HNNXBMFYSA-N 0 3 322.880 3.485 20 30 DGEDHN CN(CCN(C)C(=O)CC#Cc1ccccc1)CC1=CCCCC1 ZINC001482649274 1087100840 /nfs/dbraw/zinc/10/08/40/1087100840.db2.gz BZKDKJHYHZJTCY-UHFFFAOYSA-N 0 3 324.468 3.319 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001482652637 1087103237 /nfs/dbraw/zinc/10/32/37/1087103237.db2.gz YYZBCWJYBIKPKB-ZBFHGGJFSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cscc1Cl ZINC001482844336 1087169423 /nfs/dbraw/zinc/16/94/23/1087169423.db2.gz LGAZRQSWHWIAOS-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=CCCC(=O)N(CC)CCNCc1cc2ccccc2o1 ZINC001482914973 1087187909 /nfs/dbraw/zinc/18/79/09/1087187909.db2.gz ROBTUUUBXZRLFD-UHFFFAOYSA-N 0 3 300.402 3.337 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CNCc1ccc(F)c(Cl)c1 ZINC001483003775 1087230281 /nfs/dbraw/zinc/23/02/81/1087230281.db2.gz PZYZQOQCQBWRMQ-AATRIKPKSA-N 0 3 322.811 3.045 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2cccc(F)c2o1 ZINC001272178771 1087232393 /nfs/dbraw/zinc/23/23/93/1087232393.db2.gz QDTCUSRSWOPEIB-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN C[C@]1(C(=O)NC/C=C\CNCc2cccc(C#N)c2)CC=CCC1 ZINC001483012670 1087234532 /nfs/dbraw/zinc/23/45/32/1087234532.db2.gz PQXQPLORTAGAJN-PRPIBZDOSA-N 0 3 323.440 3.067 20 30 DGEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C[C@H]2C=CCCC2)c1 ZINC001483023522 1087238644 /nfs/dbraw/zinc/23/86/44/1087238644.db2.gz LFMJXSPNEBCMMU-BDUNBXCCSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@H]1C ZINC001088639283 1087241758 /nfs/dbraw/zinc/24/17/58/1087241758.db2.gz OOYSGVKWNHKJBE-WBMJQRKESA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c3ccccc3n2)[C@H]1C ZINC001088673151 1087250708 /nfs/dbraw/zinc/25/07/08/1087250708.db2.gz XCBWCZYUYUPPIZ-WBVHZDCISA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(C(C)C)c2)[C@H]1C ZINC001088704172 1087303976 /nfs/dbraw/zinc/30/39/76/1087303976.db2.gz IIPPIYQEJVEXJG-QAPCUYQASA-N 0 3 300.446 3.118 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc3sccc32)[C@H]1C ZINC001088814550 1087377475 /nfs/dbraw/zinc/37/74/75/1087377475.db2.gz YJDLSGCUUQRQRY-DOMZBBRYSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)[C@H]1C ZINC001088832730 1087402461 /nfs/dbraw/zinc/40/24/61/1087402461.db2.gz DRYXHAXUWSLDTE-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001483286341 1087458124 /nfs/dbraw/zinc/45/81/24/1087458124.db2.gz OQFSBTGNHQZQFN-IHRRRGAJSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001483319849 1087468461 /nfs/dbraw/zinc/46/84/61/1087468461.db2.gz LSPXPXBZMONPNM-HNNXBMFYSA-N 0 3 311.429 3.138 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)[C@@H]2C)C1 ZINC001088840065 1087479696 /nfs/dbraw/zinc/47/96/96/1087479696.db2.gz STGLAXFGTFPAOZ-AEFFLSMTSA-N 0 3 312.457 3.430 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)CCc2ccccc2F)C1 ZINC001483383534 1087487262 /nfs/dbraw/zinc/48/72/62/1087487262.db2.gz KVIIFYZAOKVJKB-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1nccc2ccsc21 ZINC001483471700 1087510914 /nfs/dbraw/zinc/51/09/14/1087510914.db2.gz SEVGSPCGVRQUQW-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN N=C(N[C@H]1CCc2cc(F)ccc2C1)c1ccc(Cl)cn1 ZINC001168404216 1087564880 /nfs/dbraw/zinc/56/48/80/1087564880.db2.gz KWMBDPWTZKANGH-AWEZNQCLSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001483630229 1087584756 /nfs/dbraw/zinc/58/47/56/1087584756.db2.gz VACLGUHFOQLTTM-CQSZACIVSA-N 0 3 309.841 3.219 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001099021955 1087589797 /nfs/dbraw/zinc/58/97/97/1087589797.db2.gz FNCNJACJAOLBNR-LSDHHAIUSA-N 0 3 312.523 3.311 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@H]1C ZINC001088896033 1087599874 /nfs/dbraw/zinc/59/98/74/1087599874.db2.gz LJLOCNXEIWLLHX-PBHICJAKSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)[C@H]1C ZINC001088899685 1087600888 /nfs/dbraw/zinc/60/08/88/1087600888.db2.gz UHQXFLGZZNBRFA-RCJHGTSTSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(CC)CC)no2)[C@H]1C ZINC001088906866 1087602056 /nfs/dbraw/zinc/60/20/56/1087602056.db2.gz PFAIHGWDODFKON-HIFRSBDPSA-N 0 3 319.449 3.347 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)[C@H]1C ZINC001088910119 1087602642 /nfs/dbraw/zinc/60/26/42/1087602642.db2.gz UCJHBLYBIWVPBB-VUNQQRPYSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1C ZINC001088913880 1087603786 /nfs/dbraw/zinc/60/37/86/1087603786.db2.gz VJNRJXMFUWJFOF-LULLPPNCSA-N 0 3 312.457 3.254 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001483649927 1087604135 /nfs/dbraw/zinc/60/41/35/1087604135.db2.gz PGLDPXZWKCMABV-ZIAGYGMSSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)[C@H]1C ZINC001088923957 1087605330 /nfs/dbraw/zinc/60/53/30/1087605330.db2.gz AMIYQIULNPZYLW-DAYGRLMNSA-N 0 3 300.446 3.118 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3ccsc32)[C@H]1C ZINC001088959081 1087609978 /nfs/dbraw/zinc/60/99/78/1087609978.db2.gz KOGNXTCKEMUNDM-CJNGLKHVSA-N 0 3 312.438 3.117 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c3occc32)[C@H]1C ZINC001088975144 1087613530 /nfs/dbraw/zinc/61/35/30/1087613530.db2.gz GZBFOTNWTUVWPZ-ABAIWWIYSA-N 0 3 318.804 3.465 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccccc3C)CCC2)[C@H]1C ZINC001089008555 1087621096 /nfs/dbraw/zinc/62/10/96/1087621096.db2.gz QLESLFCDXWVRNT-MJGOQNOKSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2sc(CCC)nc2C)[C@H]1C ZINC001089038098 1087626163 /nfs/dbraw/zinc/62/61/63/1087626163.db2.gz DDJORNFSYKUGGD-KGLIPLIRSA-N 0 3 321.490 3.173 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c3occc32)[C@H]1C ZINC001089049080 1087627213 /nfs/dbraw/zinc/62/72/13/1087627213.db2.gz RZSVZTQABMDDFF-WBMJQRKESA-N 0 3 316.376 3.341 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1c(C)cc(C)cc1C ZINC001483676120 1087632576 /nfs/dbraw/zinc/63/25/76/1087632576.db2.gz ICWOTYJLJYAZPM-GOSISDBHSA-N 0 3 314.473 3.311 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCCc1ccccc1 ZINC001483678648 1087636452 /nfs/dbraw/zinc/63/64/52/1087636452.db2.gz ZETDKUWHZPGLKC-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001483682833 1087646962 /nfs/dbraw/zinc/64/69/62/1087646962.db2.gz UUOCADCXAZJFEY-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001483686444 1087653438 /nfs/dbraw/zinc/65/34/38/1087653438.db2.gz ORAIGOORMPOOKY-CABCVRRESA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483720877 1087699875 /nfs/dbraw/zinc/69/98/75/1087699875.db2.gz HQERACKCWUNQIH-MRXNPFEDSA-N 0 3 320.383 3.157 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)C[C@@H]1CCCCO1 ZINC001158419496 1087824800 /nfs/dbraw/zinc/82/48/00/1087824800.db2.gz SABIWOFJKSLWDL-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC001158437738 1087834942 /nfs/dbraw/zinc/83/49/42/1087834942.db2.gz AHQHMDCAXZCCSS-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN CCC(CC)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001151981120 1087853677 /nfs/dbraw/zinc/85/36/77/1087853677.db2.gz RVANFSDDDAGSML-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN Cc1ccc(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)nc1C#N ZINC001158523176 1087892812 /nfs/dbraw/zinc/89/28/12/1087892812.db2.gz HPXXNKGEALLWEO-IAGOWNOFSA-N 0 3 320.440 3.361 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)OC1CCCC1 ZINC001158541942 1087904423 /nfs/dbraw/zinc/90/44/23/1087904423.db2.gz ZBGGEUORCUPLJT-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C)c(F)c1 ZINC001152313809 1087944847 /nfs/dbraw/zinc/94/48/47/1087944847.db2.gz UUPBNKVYFBLJSY-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1C ZINC001152313425 1087945635 /nfs/dbraw/zinc/94/56/35/1087945635.db2.gz KUHWKVWKKKVLQQ-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccccc1Cl ZINC001158773944 1088023548 /nfs/dbraw/zinc/02/35/48/1088023548.db2.gz XJPSSDUUVLRZQS-CQSZACIVSA-N 0 3 306.837 3.453 20 30 DGEDHN CCCC[C@H](C(=O)NCCNCc1ccc(C#N)s1)C(C)C ZINC001152644982 1088032086 /nfs/dbraw/zinc/03/20/86/1088032086.db2.gz BNGDNDGVEGWFEA-INIZCTEOSA-N 0 3 321.490 3.288 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001152867019 1088099245 /nfs/dbraw/zinc/09/92/45/1088099245.db2.gz BTEVJVZEKAMOJA-MRXNPFEDSA-N 0 3 318.436 3.346 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)c(F)c1 ZINC001153025096 1088144739 /nfs/dbraw/zinc/14/47/39/1088144739.db2.gz PFLYRQAHTDLNBI-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1cc(OC)ccc1Cl ZINC001159032450 1088152332 /nfs/dbraw/zinc/15/23/32/1088152332.db2.gz FZOVYGGXLPXLMT-UHFFFAOYSA-N 0 3 324.852 3.301 20 30 DGEDHN C=C(C)CC[N@H+]1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001159324910 1088293470 /nfs/dbraw/zinc/29/34/70/1088293470.db2.gz CUEZJMOMTRTBAK-UHFFFAOYSA-N 0 3 314.429 3.110 20 30 DGEDHN C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001159324910 1088293485 /nfs/dbraw/zinc/29/34/85/1088293485.db2.gz CUEZJMOMTRTBAK-UHFFFAOYSA-N 0 3 314.429 3.110 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C(F)(F)F ZINC001099250377 1088338651 /nfs/dbraw/zinc/33/86/51/1088338651.db2.gz JYMWCEDYMJJUFW-ZIAGYGMSSA-N 0 3 316.367 3.042 20 30 DGEDHN N#Cc1ccc(-c2ccc(Nc3ccncc3CN)cc2)cc1 ZINC001159431550 1088346919 /nfs/dbraw/zinc/34/69/19/1088346919.db2.gz VDNABMITIRVHJM-UHFFFAOYSA-N 0 3 300.365 3.244 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cc(C)ccc3C)CC2)C1=O ZINC001272637600 1088358154 /nfs/dbraw/zinc/35/81/54/1088358154.db2.gz BNSBAQSIDHLOGZ-UHFFFAOYSA-N 0 3 312.457 3.304 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cc(F)cc(F)c2)CCCC1 ZINC001153816656 1088371260 /nfs/dbraw/zinc/37/12/60/1088371260.db2.gz GOBLMKDEGRYLKT-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ncc1C#N ZINC001159592500 1088408394 /nfs/dbraw/zinc/40/83/94/1088408394.db2.gz WTDHOGSARZDAQX-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cccc(C)c2s1 ZINC001154083105 1088467591 /nfs/dbraw/zinc/46/75/91/1088467591.db2.gz GYHXPFNBPIGNMY-CQSZACIVSA-N 0 3 314.454 3.283 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2c3c(cccc31)CC2 ZINC001154247877 1088533386 /nfs/dbraw/zinc/53/33/86/1088533386.db2.gz OSCULRXJSXJNHM-OAHLLOKOSA-N 0 3 320.436 3.012 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3occc3c2)CC(C)(C)C1 ZINC001089390238 1088559804 /nfs/dbraw/zinc/55/98/04/1088559804.db2.gz BGHYPYHVFZIIFL-QGZVFWFLSA-N 0 3 324.424 3.286 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cscc2Cl)CC(C)(C)C1 ZINC001089411703 1088580305 /nfs/dbraw/zinc/58/03/05/1088580305.db2.gz KIYVDJWQISFTSK-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nc2ccccc2cc1C ZINC001154380718 1088590540 /nfs/dbraw/zinc/59/05/40/1088590540.db2.gz DWSOPSAMWRTMFO-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)CC(C)(C)C1 ZINC001089439286 1088603179 /nfs/dbraw/zinc/60/31/79/1088603179.db2.gz CTHUETMKJKJCJR-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)CC(C)(C)C1 ZINC001089452253 1088628077 /nfs/dbraw/zinc/62/80/77/1088628077.db2.gz BJESVBAUYDCJSY-KRWDZBQOSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(CC(C)C)s1 ZINC001160083199 1088633633 /nfs/dbraw/zinc/63/36/33/1088633633.db2.gz OXQZKNDXFULABK-UHFFFAOYSA-N 0 3 314.882 3.409 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCO[C@@H](C)CC(C)C)CC1 ZINC001160106882 1088639287 /nfs/dbraw/zinc/63/92/87/1088639287.db2.gz GDUXGKYCNVGDTO-KRWDZBQOSA-N 0 3 322.493 3.152 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCCC2(C)C)CC(C)(C)C1 ZINC001089467390 1088656490 /nfs/dbraw/zinc/65/64/90/1088656490.db2.gz SQWVOUCHIPNPJR-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)CC(C)(C)C1 ZINC001089510580 1088705261 /nfs/dbraw/zinc/70/52/61/1088705261.db2.gz YBWSHNRYDFFXPZ-CYBMUJFWSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC(C)(C)C1 ZINC001089543895 1088730549 /nfs/dbraw/zinc/73/05/49/1088730549.db2.gz JDRUQYMUPDYNJH-BZSNNMDCSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccncc1C ZINC001272669665 1088738750 /nfs/dbraw/zinc/73/87/50/1088738750.db2.gz FLECIJCCXMQUJL-UHFFFAOYSA-N 0 3 323.440 3.328 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)CC(C)(C)C1 ZINC001089565820 1088753176 /nfs/dbraw/zinc/75/31/76/1088753176.db2.gz ZNIGVEQTWZPCDP-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3cc(C)cn3c2)CC1 ZINC001160314393 1088753790 /nfs/dbraw/zinc/75/37/90/1088753790.db2.gz LQLDZXOFQSLCBU-UHFFFAOYSA-N 0 3 323.440 3.186 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001160337964 1088759990 /nfs/dbraw/zinc/75/99/90/1088759990.db2.gz VXGWDGLSIFUVNL-UHFFFAOYSA-N 0 3 316.367 3.043 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)Cc1ccccc1 ZINC001272670386 1088763665 /nfs/dbraw/zinc/76/36/65/1088763665.db2.gz QEASOFUULVBRHV-UHFFFAOYSA-N 0 3 320.436 3.001 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001089602083 1088796943 /nfs/dbraw/zinc/79/69/43/1088796943.db2.gz VWAOMKUYXNJKQU-INIZCTEOSA-N 0 3 304.409 3.232 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001089619307 1088830578 /nfs/dbraw/zinc/83/05/78/1088830578.db2.gz NMLCWMRRLNGBHF-HNNXBMFYSA-N 0 3 319.424 3.017 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCC(C)C)C1 ZINC001483802939 1088904535 /nfs/dbraw/zinc/90/45/35/1088904535.db2.gz XLHWLNKZPUQYCT-ZWKOTPCHSA-N 0 3 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C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001484074170 1089159785 /nfs/dbraw/zinc/15/97/85/1089159785.db2.gz PLZFUEQXOQMECD-HNAYVOBHSA-N 0 3 318.436 3.161 20 30 DGEDHN N#Cc1cc(N[C@@H]2CNCc3ccsc32)nc2ccccc12 ZINC001155564842 1089166551 /nfs/dbraw/zinc/16/65/51/1089166551.db2.gz ISACBMIQJMOSAB-OAHLLOKOSA-N 0 3 306.394 3.424 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001155581313 1089174887 /nfs/dbraw/zinc/17/48/87/1089174887.db2.gz PRRWLVWKLOULOB-HZPDHXFCSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCc2ccccc2C)CC1 ZINC001161320103 1089190332 /nfs/dbraw/zinc/19/03/32/1089190332.db2.gz CHBKHNSHTCCWHJ-UHFFFAOYSA-N 0 3 312.457 3.252 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001155644590 1089196364 /nfs/dbraw/zinc/19/63/64/1089196364.db2.gz GMNSKWFHHRLOLR-ZWKOTPCHSA-N 0 3 314.473 3.420 20 30 DGEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CCCCCC(C)C ZINC001155644838 1089198726 /nfs/dbraw/zinc/19/87/26/1089198726.db2.gz 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C=CCN1CC=C(CCNC(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC001161699558 1089354216 /nfs/dbraw/zinc/35/42/16/1089354216.db2.gz UJWWUKRIFJMJAZ-OAHLLOKOSA-N 0 3 318.486 3.484 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2cc(C)ccc2F)CC1 ZINC001161749934 1089384054 /nfs/dbraw/zinc/38/40/54/1089384054.db2.gz PVTDRVPILDEBSF-UHFFFAOYSA-N 0 3 316.420 3.001 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cc(C)ccc2C)CC1 ZINC001161770774 1089395468 /nfs/dbraw/zinc/39/54/68/1089395468.db2.gz ASJHWKTXJQYEIE-UHFFFAOYSA-N 0 3 310.441 3.079 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cccn1CC ZINC001272683021 1089423207 /nfs/dbraw/zinc/42/32/07/1089423207.db2.gz NNPNNCPRBJUAHX-UHFFFAOYSA-N 0 3 311.429 3.056 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](CC)C(C)C ZINC001484466448 1089434986 /nfs/dbraw/zinc/43/49/86/1089434986.db2.gz UBOQRBAKXUILQW-KZNAEPCWSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(-c2ccoc2)c1 ZINC001156254890 1089451140 /nfs/dbraw/zinc/45/11/40/1089451140.db2.gz YVKBEKAMVLPSFD-MRXNPFEDSA-N 0 3 324.424 3.410 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C23CCC(CC2)CC3)CC1 ZINC001161918634 1089468545 /nfs/dbraw/zinc/46/85/45/1089468545.db2.gz CGDXEZJDFXJIEL-UHFFFAOYSA-N 0 3 302.462 3.281 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](CC)c1ccccc1 ZINC001156318564 1089477465 /nfs/dbraw/zinc/47/74/65/1089477465.db2.gz FCWWCBWPZCZQRF-QZTJIDSGSA-N 0 3 314.473 3.420 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cc1ccc(C)cc1 ZINC001484556164 1089499410 /nfs/dbraw/zinc/49/94/10/1089499410.db2.gz MBHKXNZHYUBVFV-UHFFFAOYSA-N 0 3 322.452 3.472 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc3c2CCC3)CC1 ZINC001161983296 1089506975 /nfs/dbraw/zinc/50/69/75/1089506975.db2.gz ZPYWHOAODXDIHA-UHFFFAOYSA-N 0 3 310.441 3.113 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C=C1CCC1 ZINC001089796638 1089513759 /nfs/dbraw/zinc/51/37/59/1089513759.db2.gz UYZBFSHVACKVEW-HZMVEIRTSA-N 0 3 320.864 3.018 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=CCCC1 ZINC001089796718 1089514289 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ZINC001156787309 1089694811 /nfs/dbraw/zinc/69/48/11/1089694811.db2.gz CEOAGSPHTLPOMP-CQSZACIVSA-N 0 3 320.502 3.473 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001484887030 1089722746 /nfs/dbraw/zinc/72/27/46/1089722746.db2.gz JWGZEPNHSJKAIA-MAUKXSAKSA-N 0 3 324.424 3.029 20 30 DGEDHN Cc1nc(N[C@@H](C)c2cccc(C#N)c2)cc(N2CCCC2)n1 ZINC001156871863 1089726212 /nfs/dbraw/zinc/72/62/12/1089726212.db2.gz VFKZDFJVYOSLIP-ZDUSSCGKSA-N 0 3 307.401 3.430 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cccc(C(C)C)n2)[C@@H](C)C1 ZINC001484881897 1089726451 /nfs/dbraw/zinc/72/64/51/1089726451.db2.gz GNQQRBCUPNRGDC-YJBOKZPZSA-N 0 3 315.461 3.108 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001157000113 1089780843 /nfs/dbraw/zinc/78/08/43/1089780843.db2.gz GQGLWQOFHVPFDM-CABCVRRESA-N 0 3 320.864 3.293 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1ccncc1Cl ZINC001484993175 1089834980 /nfs/dbraw/zinc/83/49/80/1089834980.db2.gz BYDUAHPYXQJYQK-ZDUSSCGKSA-N 0 3 309.841 3.076 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001485003716 1089840997 /nfs/dbraw/zinc/84/09/97/1089840997.db2.gz GAYBEBWZHSGDMV-SFHVURJKSA-N 0 3 312.457 3.324 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(CC)oc2ccccc21 ZINC001157172471 1089853580 /nfs/dbraw/zinc/85/35/80/1089853580.db2.gz QJKBACWNCLIBEC-CQSZACIVSA-N 0 3 312.413 3.069 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C[C@@H]1C=CCC1 ZINC001162688609 1089882645 /nfs/dbraw/zinc/88/26/45/1089882645.db2.gz LVEQDZXIMYKZST-HXUWFJFHSA-N 0 3 324.468 3.027 20 30 DGEDHN CCCc1cc(C#N)c(N2C[C@H]3[C@H](C2)CCCN3C)nc1Cl ZINC001157263324 1089894372 /nfs/dbraw/zinc/89/43/72/1089894372.db2.gz AAFYTGXLMZLPDV-ZFWWWQNUSA-N 0 3 318.852 3.090 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCC(C)(C)c1ccccc1 ZINC001157287506 1089899793 /nfs/dbraw/zinc/89/97/93/1089899793.db2.gz ZMNIFBRCSICURO-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C=C1CCCCC1 ZINC001162733466 1089910965 /nfs/dbraw/zinc/91/09/65/1089910965.db2.gz ZJIGYNJPKMHICD-UHFFFAOYSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC001485076569 1089928830 /nfs/dbraw/zinc/92/88/30/1089928830.db2.gz UNEPGDBQIHXQFB-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC=C)c1ccccc1 ZINC001157369532 1089929638 /nfs/dbraw/zinc/92/96/38/1089929638.db2.gz FIVUKYGDHCHWDK-MJGOQNOKSA-N 0 3 312.457 3.196 20 30 DGEDHN COc1cc(-n2c3ccccc3nc2[C@H](C)N)ccc1CC#N ZINC001162767360 1089940480 /nfs/dbraw/zinc/94/04/80/1089940480.db2.gz VXIFAMPBACOTPZ-LBPRGKRZSA-N 0 3 306.369 3.120 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(F)ccc2CC)C1 ZINC001485096638 1089951116 /nfs/dbraw/zinc/95/11/16/1089951116.db2.gz AUBGGRRXEBIOGI-UHFFFAOYSA-N 0 3 324.827 3.239 20 30 DGEDHN C=C1CC(C)(C(=O)N(CCNCC#CC)CCc2ccccc2)C1 ZINC001162924952 1090026111 /nfs/dbraw/zinc/02/61/11/1090026111.db2.gz VEBNNKNQNSVPFM-UHFFFAOYSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2cccs2)C1 ZINC001493939808 1090036447 /nfs/dbraw/zinc/03/64/47/1090036447.db2.gz UPLLXRJRNBPJAE-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCc1c(Cl)ncnc1N[C@@H]1CNCc2ccsc21 ZINC001163219590 1090119111 /nfs/dbraw/zinc/11/91/11/1090119111.db2.gz BOSKPHWASOPHKY-LLVKDONJSA-N 0 3 306.822 3.176 20 30 DGEDHN N#Cc1ncc(N[C@@H]2CNCc3ccsc32)cc1C(F)(F)F ZINC001163228955 1090126983 /nfs/dbraw/zinc/12/69/83/1090126983.db2.gz MTVBANNFGRHXSK-GFCCVEGCSA-N 0 3 324.331 3.290 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)CC ZINC001485458596 1090171710 /nfs/dbraw/zinc/17/17/10/1090171710.db2.gz CIUCZUJTKHYROR-KRWDZBQOSA-N 0 3 320.864 3.366 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](OCC)C1CCCC1 ZINC001485480980 1090186214 /nfs/dbraw/zinc/18/62/14/1090186214.db2.gz VDOWQBHYUJMUKY-ZWKOTPCHSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C/C=C/Cc2ccccc2)C(C)(C)C1 ZINC001485570462 1090211772 /nfs/dbraw/zinc/21/17/72/1090211772.db2.gz DYJYXWKCMOBSCB-GFOMBABLSA-N 0 3 312.457 3.188 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001485570778 1090212071 /nfs/dbraw/zinc/21/20/71/1090212071.db2.gz GKDDMPZFUPTKJT-GFCCVEGCSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCC(=O)N[C@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001485563031 1090212402 /nfs/dbraw/zinc/21/24/02/1090212402.db2.gz GCINHQQWDMCLPF-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN CN(CCN1CCCCC1)c1nc(C(C)(C)C)ccc1C#N ZINC001163570923 1090213674 /nfs/dbraw/zinc/21/36/74/1090213674.db2.gz DHTVADLDMFZWCJ-UHFFFAOYSA-N 0 3 300.450 3.173 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@](C)(CC)CCC)C[C@]2(C)C1 ZINC001485668768 1090235484 /nfs/dbraw/zinc/23/54/84/1090235484.db2.gz FNWLTYSVVCFUKE-QRVBRYPASA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)CC(C)C)C[C@]2(C)C1 ZINC001485669006 1090236499 /nfs/dbraw/zinc/23/64/99/1090236499.db2.gz NKVMXUPMFCLESD-RLLQIKCJSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1cc(F)ccc1Cl ZINC001163948531 1090294855 /nfs/dbraw/zinc/29/48/55/1090294855.db2.gz LNYGOJKHXHYGKJ-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN CC#CCCCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001164268132 1090390999 /nfs/dbraw/zinc/39/09/99/1090390999.db2.gz APLWVVCWQZBXAA-CQSZACIVSA-N 0 3 322.399 3.315 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cccc(F)c2C)CC1 ZINC001164593009 1090444483 /nfs/dbraw/zinc/44/44/83/1090444483.db2.gz ZSGITTXBFSHNOL-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(CC)o1)C2 ZINC001204391212 1090454597 /nfs/dbraw/zinc/45/45/97/1090454597.db2.gz PFODVYCSXGZGOY-OALUTQOASA-N 0 3 319.445 3.416 20 30 DGEDHN Cc1ccc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)nc1C#N ZINC001165201607 1090478320 /nfs/dbraw/zinc/47/83/20/1090478320.db2.gz HPXXNKGEALLWEO-DLBZAZTESA-N 0 3 320.440 3.361 20 30 DGEDHN C=CCCC(=O)NC[C@]1(C)CN(CC2CCCCCC2)CCO1 ZINC001107802653 1090507592 /nfs/dbraw/zinc/50/75/92/1090507592.db2.gz WIKYZLNATGZSAV-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850520 1090515772 /nfs/dbraw/zinc/51/57/72/1090515772.db2.gz LJVADWBRXLBOJL-QFBILLFUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850519 1090515780 /nfs/dbraw/zinc/51/57/80/1090515780.db2.gz LJVADWBRXLBOJL-LPHOPBHVSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001165535599 1090529077 /nfs/dbraw/zinc/52/90/77/1090529077.db2.gz RQFWBEOZNXDRMA-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=CCCC1(C(=O)NCCCNCc2ccncc2Cl)CC1 ZINC001165914380 1090560776 /nfs/dbraw/zinc/56/07/76/1090560776.db2.gz ZTFSPRWQYIVROA-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2cc(F)ccc2F)CCC1 ZINC001165998585 1090568114 /nfs/dbraw/zinc/56/81/14/1090568114.db2.gz YLEDXDFIIQUJHT-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971050 1090593601 /nfs/dbraw/zinc/59/36/01/1090593601.db2.gz NFWCIMLJPTUDPM-QFBILLFUSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCC1(CNCc2ccns2)CC1 ZINC001166541660 1090617189 /nfs/dbraw/zinc/61/71/89/1090617189.db2.gz HXDAOQLBOLPJSP-UHFFFAOYSA-N 0 3 321.490 3.122 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)C(F)F)C12CCC2 ZINC001203383260 1090628481 /nfs/dbraw/zinc/62/84/81/1090628481.db2.gz DQWODPWVHJUKJQ-MNOVXSKESA-N 0 3 320.811 3.047 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001166672575 1090639009 /nfs/dbraw/zinc/63/90/09/1090639009.db2.gz PKEOSZFIJIHNHW-AWEZNQCLSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001166685248 1090642243 /nfs/dbraw/zinc/64/22/43/1090642243.db2.gz AXHZYTIZHSHJDL-HIFRSBDPSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001128085198 1090645203 /nfs/dbraw/zinc/64/52/03/1090645203.db2.gz NCQDHYCWZMLLLK-UHFFFAOYSA-N 0 3 306.837 3.314 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001128088122 1090647926 /nfs/dbraw/zinc/64/79/26/1090647926.db2.gz ODKOXMOQVLEXHE-AWEZNQCLSA-N 0 3 304.409 3.361 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3cccc(C)c3)CC2)C1=O ZINC001272906857 1090676542 /nfs/dbraw/zinc/67/65/42/1090676542.db2.gz HVRAVYJYNLYZHN-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C[C@H](C)C3CC3)cccc2C1 ZINC001272917074 1090680319 /nfs/dbraw/zinc/68/03/19/1090680319.db2.gz NCPMEUXAHSGUNF-INIZCTEOSA-N 0 3 324.468 3.120 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001485847651 1090708227 /nfs/dbraw/zinc/70/82/27/1090708227.db2.gz MCIFLPFDYAMFQC-HUUCEWRRSA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCOC(=O)N1CCC[C@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC001203290260 1090713097 /nfs/dbraw/zinc/71/30/97/1090713097.db2.gz YSEDJQNURHWFNE-GOSISDBHSA-N 0 3 318.417 3.199 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001485868662 1090713709 /nfs/dbraw/zinc/71/37/09/1090713709.db2.gz NROWPRMFZDCJDY-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203296281 1090715063 /nfs/dbraw/zinc/71/50/63/1090715063.db2.gz QCJYPDSUBKBPGS-CVEARBPZSA-N 0 3 322.880 3.340 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203296282 1090715201 /nfs/dbraw/zinc/71/52/01/1090715201.db2.gz QCJYPDSUBKBPGS-HOTGVXAUSA-N 0 3 322.880 3.340 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1cn(C(C)C)nc1C ZINC001485881055 1090721678 /nfs/dbraw/zinc/72/16/78/1090721678.db2.gz ZXGWNZXSJQOYKQ-HNNXBMFYSA-N 0 3 320.481 3.065 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C2CCCC2)cc1 ZINC001485901963 1090722257 /nfs/dbraw/zinc/72/22/57/1090722257.db2.gz PAATULKBNDGMPB-INIZCTEOSA-N 0 3 312.457 3.418 20 30 DGEDHN CCCC(=O)N1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H]1C ZINC001486069617 1090741726 /nfs/dbraw/zinc/74/17/26/1090741726.db2.gz ILEMGKDBWKOVKH-YOEHRIQHSA-N 0 3 318.848 3.071 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001486153861 1090766758 /nfs/dbraw/zinc/76/67/58/1090766758.db2.gz JEJSLBXMHHZLQQ-KPFFTGBYSA-N 0 3 312.457 3.164 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccccc2C)[C@H]1C ZINC001486182298 1090779278 /nfs/dbraw/zinc/77/92/78/1090779278.db2.gz VORYKWDPZOCYOE-MJGOQNOKSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)C(C)C)Cc1ccccc1 ZINC001486187142 1090781804 /nfs/dbraw/zinc/78/18/04/1090781804.db2.gz OETCKQNNBAAEDU-INIZCTEOSA-N 0 3 308.853 3.102 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001203745193 1090795512 /nfs/dbraw/zinc/79/55/12/1090795512.db2.gz OPNZJBGORFFZKW-KRWDZBQOSA-N 0 3 302.418 3.180 20 30 DGEDHN N#Cc1cccc(CN2CCC(O)(Cc3ccccc3)CC2)c1 ZINC001203755013 1090797575 /nfs/dbraw/zinc/79/75/75/1090797575.db2.gz HGVYEGQMJZOTJV-UHFFFAOYSA-N 0 3 306.409 3.128 20 30 DGEDHN CCc1ccccc1CN(C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001486365261 1090807743 /nfs/dbraw/zinc/80/77/43/1090807743.db2.gz RRNKICIRRQHDHT-INIZCTEOSA-N 0 3 315.461 3.077 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2c(C)cccn2c1)C(C)C ZINC001486378233 1090815081 /nfs/dbraw/zinc/81/50/81/1090815081.db2.gz CFYMUMHELKNUCM-UHFFFAOYSA-N 0 3 313.445 3.216 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1Cc2ccc(Cl)cc21)C(C)C ZINC001486379234 1090815098 /nfs/dbraw/zinc/81/50/98/1090815098.db2.gz JJYSNUOKXFJROL-QGZVFWFLSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2ccsc2[nH]1 ZINC001272944181 1090817964 /nfs/dbraw/zinc/81/79/64/1090817964.db2.gz QHKYBJMRCCONGJ-SNVBAGLBSA-N 0 3 311.838 3.080 20 30 DGEDHN O=C1C=C2CN(Cc3cccc(C(F)(F)F)c3)CCC2S1 ZINC001203886527 1090827022 /nfs/dbraw/zinc/82/70/22/1090827022.db2.gz RPRJIKBFTXHNDO-ZDUSSCGKSA-N 0 3 313.344 3.480 20 30 DGEDHN N#Cc1ccc(CN2CCCN(c3ccc(F)cc3)CC2)cc1 ZINC001203906035 1090835500 /nfs/dbraw/zinc/83/55/00/1090835500.db2.gz JQUNHQLIUVLCMG-UHFFFAOYSA-N 0 3 309.388 3.410 20 30 DGEDHN N#Cc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1 ZINC001204044557 1090880548 /nfs/dbraw/zinc/88/05/48/1090880548.db2.gz BPDSXBXTXHHGEL-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001276439813 1090896574 /nfs/dbraw/zinc/89/65/74/1090896574.db2.gz LDEQJNBHDVRKER-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001276440043 1090900504 /nfs/dbraw/zinc/90/05/04/1090900504.db2.gz OSXAYFYOHFPBDY-OAHLLOKOSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCN1CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204243313 1090933754 /nfs/dbraw/zinc/93/37/54/1090933754.db2.gz WNCIPVFLCIBOKA-UHFFFAOYSA-N 0 3 309.457 3.209 20 30 DGEDHN N#Cc1cccc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)c1 ZINC001204275296 1090937985 /nfs/dbraw/zinc/93/79/85/1090937985.db2.gz NZISCKIMGUYMBI-UHFFFAOYSA-N 0 3 308.381 3.349 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204278196 1090939305 /nfs/dbraw/zinc/93/93/05/1090939305.db2.gz XKQWNLSFMYBIPS-GOSISDBHSA-N 0 3 324.380 3.013 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204278196 1090939310 /nfs/dbraw/zinc/93/93/10/1090939310.db2.gz XKQWNLSFMYBIPS-GOSISDBHSA-N 0 3 324.380 3.013 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204281566 1090939698 /nfs/dbraw/zinc/93/96/98/1090939698.db2.gz WHXMUGWHVLKDAW-SFHVURJKSA-N 0 3 324.380 3.013 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204281566 1090939701 /nfs/dbraw/zinc/93/97/01/1090939701.db2.gz WHXMUGWHVLKDAW-SFHVURJKSA-N 0 3 324.380 3.013 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(C(C)(C)C)cc2)C1=O ZINC001273000865 1090980617 /nfs/dbraw/zinc/98/06/17/1090980617.db2.gz ZUEDDXPPHPSFJS-NRFANRHFSA-N 0 3 324.468 3.184 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(C)c(C)o1)C2 ZINC001204532971 1090992552 /nfs/dbraw/zinc/99/25/52/1090992552.db2.gz GKQCTZTZAVPYBD-LJQANCHMSA-N 0 3 316.445 3.430 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2c1ccn2C ZINC001273075584 1091027404 /nfs/dbraw/zinc/02/74/04/1091027404.db2.gz FMTOXASNKIOUFX-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3cccc(CC#N)c3)cc2)CC1 ZINC001204759322 1091031549 /nfs/dbraw/zinc/03/15/49/1091031549.db2.gz ZDXJPXVQPGVWOO-UHFFFAOYSA-N 0 3 320.440 3.244 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2CC[C@@H](C)c2ccc(C)o2)C1=O ZINC001273126698 1091064378 /nfs/dbraw/zinc/06/43/78/1091064378.db2.gz WPAYFHHJAHKQJZ-BEFAXECRSA-N 0 3 316.445 3.335 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108115962 1091094554 /nfs/dbraw/zinc/09/45/54/1091094554.db2.gz XNYKNHHWNWNJTM-IBGZPJMESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2C)C1 ZINC001205103771 1091103153 /nfs/dbraw/zinc/10/31/53/1091103153.db2.gz QWAQRRSLPRGBLJ-QGZVFWFLSA-N 0 3 302.418 3.180 20 30 DGEDHN C#CCN1CCN(Cc2c3ccccc3[nH]c2C(C)(C)C)CC1 ZINC001138315119 1091138705 /nfs/dbraw/zinc/13/87/05/1091138705.db2.gz UTEDYZSCJUDYHR-UHFFFAOYSA-N 0 3 309.457 3.216 20 30 DGEDHN C(#Cc1ccc(CN2CC(C3COC3)C2)cc1)c1ccccc1 ZINC001138333842 1091143456 /nfs/dbraw/zinc/14/34/56/1091143456.db2.gz SVBMCXTZAIFSQE-UHFFFAOYSA-N 0 3 303.405 3.165 20 30 DGEDHN C#CCOc1ccc(CN2CCC(Oc3cccnc3)CC2)cc1 ZINC001138558677 1091227212 /nfs/dbraw/zinc/22/72/12/1091227212.db2.gz DTEAACNCAXMRFU-UHFFFAOYSA-N 0 3 322.408 3.137 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC001293372865 1091238160 /nfs/dbraw/zinc/23/81/60/1091238160.db2.gz UQTAKVLRNKHTPY-UHFFFAOYSA-N 0 3 322.518 3.211 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(n3nccc3C)CC2)c1[O-] ZINC001138629744 1091262539 /nfs/dbraw/zinc/26/25/39/1091262539.db2.gz IGCQDTNNGRCOQB-UHFFFAOYSA-N 0 3 311.429 3.463 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(c3nnc(C)o3)CC2)c1[O-] ZINC001138630452 1091262739 /nfs/dbraw/zinc/26/27/39/1091262739.db2.gz WRRFFOOLWGLXAB-UHFFFAOYSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@](C)(C(=O)OCC)C2)c1[O-] ZINC001138629731 1091263729 /nfs/dbraw/zinc/26/37/29/1091263729.db2.gz HHWCOIUZBAMOKM-IBGZPJMESA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@](C)(C(=O)OCC)C2)c1[O-] ZINC001138629731 1091263733 /nfs/dbraw/zinc/26/37/33/1091263733.db2.gz HHWCOIUZBAMOKM-IBGZPJMESA-N 0 3 317.429 3.286 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCN(CC2CC2)CC1 ZINC001138664050 1091278388 /nfs/dbraw/zinc/27/83/88/1091278388.db2.gz HSTOTZSNQVUYRP-UHFFFAOYSA-N 0 3 300.446 3.169 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001138661595 1091279215 /nfs/dbraw/zinc/27/92/15/1091279215.db2.gz DOVZVSYTTDINRB-KRWDZBQOSA-N 0 3 315.438 3.416 20 30 DGEDHN CNc1ncccc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001138695079 1091291524 /nfs/dbraw/zinc/29/15/24/1091291524.db2.gz VVKSPSIHWUOHKV-UHFFFAOYSA-N 0 3 306.413 3.375 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C/c1ccco1 ZINC001098867039 1091394141 /nfs/dbraw/zinc/39/41/41/1091394141.db2.gz CBECIKQXLJCAOH-KIUWMYQTSA-N 0 3 302.418 3.086 20 30 DGEDHN C=CCOc1ccccc1CN1CCC2(C[C@H]2CCO)CC1 ZINC001139028799 1091422668 /nfs/dbraw/zinc/42/26/68/1091422668.db2.gz CQKSAGBKAQIZSQ-QGZVFWFLSA-N 0 3 301.430 3.236 20 30 DGEDHN C=CCOc1ccccc1CN(C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001139031413 1091424036 /nfs/dbraw/zinc/42/40/36/1091424036.db2.gz XJYAPFMKFMQYEM-SFHVURJKSA-N 0 3 316.445 3.083 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001206094939 1091490418 /nfs/dbraw/zinc/49/04/18/1091490418.db2.gz ZXVMVVQESCVGOS-UHFFFAOYSA-N 0 3 321.384 3.031 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3c(c2)N(CC)CC3)no1 ZINC001206099729 1091492790 /nfs/dbraw/zinc/49/27/90/1091492790.db2.gz BPBXBMUHGHMTSP-UHFFFAOYSA-N 0 3 324.428 3.228 20 30 DGEDHN N#Cc1ccc(CC2CCN(Cc3cnc(N)s3)CC2)cc1 ZINC001139227137 1091493311 /nfs/dbraw/zinc/49/33/11/1091493311.db2.gz FMGQODYJFNJAKJ-UHFFFAOYSA-N 0 3 312.442 3.052 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccn(C(C)C)c3C)[C@@H]2C1 ZINC001084598025 1091515035 /nfs/dbraw/zinc/51/50/35/1091515035.db2.gz HADZOCBOQISEBM-SJLPKXTDSA-N 0 3 315.461 3.100 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCc4ccccc43)[C@@H]2C1 ZINC001084730031 1091550577 /nfs/dbraw/zinc/55/05/77/1091550577.db2.gz GUXGJDWXFABWJU-NLWGTHIKSA-N 0 3 324.468 3.215 20 30 DGEDHN COC[C@H]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139425202 1091556540 /nfs/dbraw/zinc/55/65/40/1091556540.db2.gz BCLIVLFGKNVHEH-KRWDZBQOSA-N 0 3 323.396 3.214 20 30 DGEDHN O=C1C=C2CN(Cc3c(Cl)ccnc3Cl)CCC2S1 ZINC001139475867 1091570823 /nfs/dbraw/zinc/57/08/23/1091570823.db2.gz CEUFSPLWSJTNAN-LLVKDONJSA-N 0 3 315.225 3.163 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3sc(C)cc3C)[C@@H]2C1 ZINC001084803127 1091576158 /nfs/dbraw/zinc/57/61/58/1091576158.db2.gz HYZRZLPKJFYZCF-HZPDHXFCSA-N 0 3 318.486 3.016 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCC3CCCCC3)[C@@H]2C1 ZINC001084810666 1091578265 /nfs/dbraw/zinc/57/82/65/1091578265.db2.gz ZQIIGRQIWVMRGF-QZTJIDSGSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001084858422 1091596224 /nfs/dbraw/zinc/59/62/24/1091596224.db2.gz BNCJSEKKBAACKN-GVDBMIGSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001084858421 1091596594 /nfs/dbraw/zinc/59/65/94/1091596594.db2.gz BNCJSEKKBAACKN-BRWVUGGUSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC001084873702 1091601092 /nfs/dbraw/zinc/60/10/92/1091601092.db2.gz PTVJDAMZJDACJH-QZTJIDSGSA-N 0 3 316.489 3.149 20 30 DGEDHN CC(C)[C@@H](CNCC#Cc1ccccc1)C(=O)OC(C)(C)C ZINC001206463243 1091639543 /nfs/dbraw/zinc/63/95/43/1091639543.db2.gz CQYGLDLRGKNQTJ-QGZVFWFLSA-N 0 3 301.430 3.242 20 30 DGEDHN Cc1nnc(C2CCN(Cc3c[nH]c4c3cccc4C#N)CC2)o1 ZINC001139706591 1091647814 /nfs/dbraw/zinc/64/78/14/1091647814.db2.gz ZJMBZESKMWOTNN-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3C)C[C@@H]21 ZINC001085048939 1091650224 /nfs/dbraw/zinc/65/02/24/1091650224.db2.gz QTTSKLFBROOMHS-GGPKGHCWSA-N 0 3 324.468 3.045 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C[C@@H]21 ZINC001085103438 1091669711 /nfs/dbraw/zinc/66/97/11/1091669711.db2.gz RBXBFQGZVAFGIA-KURKYZTESA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)oc1C ZINC001085130401 1091683625 /nfs/dbraw/zinc/68/36/25/1091683625.db2.gz NEQGVOYHITYLHG-HUUCEWRRSA-N 0 3 310.825 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC001085132151 1091684790 /nfs/dbraw/zinc/68/47/90/1091684790.db2.gz QDOWFTKUSSNLHU-VXGBXAGGSA-N 0 3 316.232 3.051 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cscc1C ZINC001085163839 1091692109 /nfs/dbraw/zinc/69/21/09/1091692109.db2.gz CNOLZWJGXFRKDK-ZIAGYGMSSA-N 0 3 312.866 3.440 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001139869753 1091696079 /nfs/dbraw/zinc/69/60/79/1091696079.db2.gz SAXKALPHMKYZOO-MRXNPFEDSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)n(C2CC2)c1C ZINC001139865840 1091696348 /nfs/dbraw/zinc/69/63/48/1091696348.db2.gz SZCYZOIQXCYQMS-UHFFFAOYSA-N 0 3 303.450 3.020 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C/C=C/c1ccc(F)cc1 ZINC001139870084 1091698025 /nfs/dbraw/zinc/69/80/25/1091698025.db2.gz YGQVZVKDQVKBKB-VOTSOKGWSA-N 0 3 304.409 3.195 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCCN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139873196 1091698263 /nfs/dbraw/zinc/69/82/63/1091698263.db2.gz DUPNAGXAHYHWSJ-SFHVURJKSA-N 0 3 318.392 3.253 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c(C)cc1Cl ZINC001154609557 1091718486 /nfs/dbraw/zinc/71/84/86/1091718486.db2.gz MNRDGPUBYCZTSA-CQSZACIVSA-N 0 3 306.837 3.030 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(C)cc1 ZINC001085263707 1091730163 /nfs/dbraw/zinc/73/01/63/1091730163.db2.gz DNJZIGOZDAKPIT-IAGOWNOFSA-N 0 3 320.864 3.307 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1occc1CC ZINC001085321763 1091746417 /nfs/dbraw/zinc/74/64/17/1091746417.db2.gz HPQPBXUTBMKTJJ-ZIAGYGMSSA-N 0 3 310.825 3.225 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085325639 1091747895 /nfs/dbraw/zinc/74/78/95/1091747895.db2.gz YBKNJPFGBNVVJB-HUUCEWRRSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](F)c1ccccc1 ZINC001085347443 1091752374 /nfs/dbraw/zinc/75/23/74/1091752374.db2.gz OTJDHSOMTYYOAG-BZUAXINKSA-N 0 3 324.827 3.467 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085359434 1091755233 /nfs/dbraw/zinc/75/52/33/1091755233.db2.gz FOTUKKJIFOAZFV-ZJIFWQFVSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2cccs2)CC1 ZINC001161206779 1091769404 /nfs/dbraw/zinc/76/94/04/1091769404.db2.gz OEOUWWUKBFDOER-AWEZNQCLSA-N 0 3 304.459 3.176 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc(F)c1 ZINC001085414079 1091770108 /nfs/dbraw/zinc/77/01/08/1091770108.db2.gz CJVBUBOZMXXONN-HZPDHXFCSA-N 0 3 324.827 3.138 20 30 DGEDHN COc1cccc(-c2ncc(CN3CCC(S)CC3)cn2)c1 ZINC001140196505 1091796300 /nfs/dbraw/zinc/79/63/00/1091796300.db2.gz DNAPGENDDVCRNC-UHFFFAOYSA-N 0 3 315.442 3.046 20 30 DGEDHN CCCC(=O)N1CCC[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001207054426 1091830681 /nfs/dbraw/zinc/83/06/81/1091830681.db2.gz AEFDFRXNDPFZEO-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN O=C(C1CCCCC1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207092467 1091842582 /nfs/dbraw/zinc/84/25/82/1091842582.db2.gz ZWALVPYKACUAQU-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN COc1ccccc1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC001207106106 1091846079 /nfs/dbraw/zinc/84/60/79/1091846079.db2.gz FPTKSIAFRCXPAB-UHFFFAOYSA-N 0 3 309.413 3.285 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001085594631 1091846766 /nfs/dbraw/zinc/84/67/66/1091846766.db2.gz LMBSWRKTKYDXPG-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN O=C(CC1CCCC1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207115583 1091849481 /nfs/dbraw/zinc/84/94/81/1091849481.db2.gz AQWGSHNQISKELJ-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636412 1091864206 /nfs/dbraw/zinc/86/42/06/1091864206.db2.gz QCVOFVQUDPMZSW-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2ccccc2n1CC ZINC001297380295 1091872488 /nfs/dbraw/zinc/87/24/88/1091872488.db2.gz VIDARDZEGJJRCU-UHFFFAOYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001297380466 1091872853 /nfs/dbraw/zinc/87/28/53/1091872853.db2.gz ZLISKQFZOUFCFO-KGLIPLIRSA-N 0 3 322.399 3.035 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001085672977 1091878867 /nfs/dbraw/zinc/87/88/67/1091878867.db2.gz MJTQWXMKKSCCFN-PKOBYXMFSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN(CCN1CC[C@]2(CC2(F)F)C1)C(=O)OC(C)(C)C ZINC001207206257 1091886487 /nfs/dbraw/zinc/88/64/87/1091886487.db2.gz TYWOCVFEEHTRSN-HNNXBMFYSA-N 0 3 316.392 3.141 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c2cccnc12 ZINC001085729981 1091902376 /nfs/dbraw/zinc/90/23/76/1091902376.db2.gz MQIGLQUCUQLNCS-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738499 1091905581 /nfs/dbraw/zinc/90/55/81/1091905581.db2.gz NROJSAQYODWBHM-XMTFNYHQSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740187 1091908768 /nfs/dbraw/zinc/90/87/68/1091908768.db2.gz KDFVVWQLRRFQTE-XLAORIBOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1Cl ZINC001085800321 1091944456 /nfs/dbraw/zinc/94/44/56/1091944456.db2.gz QNLPATYAWIBMDT-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1Cl ZINC001085838984 1091960902 /nfs/dbraw/zinc/96/09/02/1091960902.db2.gz YRIHHMLXYMSOPJ-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001085837553 1091960946 /nfs/dbraw/zinc/96/09/46/1091960946.db2.gz MOUNJTGUNMJAIK-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001085860867 1091982461 /nfs/dbraw/zinc/98/24/61/1091982461.db2.gz JYMFQMOXUFBAED-GSEOLPGOSA-N 0 3 324.468 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1csc(C(C)C)n1 ZINC001085875743 1091993167 /nfs/dbraw/zinc/99/31/67/1091993167.db2.gz IMHLRINMUKQMOF-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085901444 1092003766 /nfs/dbraw/zinc/00/37/66/1092003766.db2.gz FRBXQJVXXNFWNU-OAHLLOKOSA-N 0 3 304.434 3.434 20 30 DGEDHN CC/C=C(/C)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207566760 1092023786 /nfs/dbraw/zinc/02/37/86/1092023786.db2.gz VAUKEUDIQBTVRV-MECSIWFOSA-N 0 3 317.458 3.057 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207566759 1092023981 /nfs/dbraw/zinc/02/39/81/1092023981.db2.gz VAUKEUDIQBTVRV-GUVYXZIWSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001085951446 1092041194 /nfs/dbraw/zinc/04/11/94/1092041194.db2.gz GOPVSZROXGOUAH-RDJZCZTQSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2cc(C)ccc2OC)C1 ZINC001207629588 1092051098 /nfs/dbraw/zinc/05/10/98/1092051098.db2.gz TYMHCMSKZJKKCQ-KRWDZBQOSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993584 1092082431 /nfs/dbraw/zinc/08/24/31/1092082431.db2.gz PIAUHPMVCYBLQE-KRWDZBQOSA-N 0 3 304.409 3.269 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2c1cccc2Cl ZINC001085995943 1092083924 /nfs/dbraw/zinc/08/39/24/1092083924.db2.gz 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319.449 3.137 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135239357 1094455862 /nfs/dbraw/zinc/45/58/62/1094455862.db2.gz YIOGDBRATZFVIO-UONOGXRCSA-N 0 3 321.490 3.018 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001135239665 1094457147 /nfs/dbraw/zinc/45/71/47/1094457147.db2.gz ZXVAKQFQIFFOGO-NNQLKGDCSA-N 0 3 319.276 3.372 20 30 DGEDHN CC(C)n1c(CNC[C@H](O)CC(C)(C)C#N)nc2ccccc21 ZINC001120584019 1094462004 /nfs/dbraw/zinc/46/20/04/1094462004.db2.gz YSFKTLKSBMSOAE-CQSZACIVSA-N 0 3 314.433 3.008 20 30 DGEDHN C=C(C)CCC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001120586022 1094463063 /nfs/dbraw/zinc/46/30/63/1094463063.db2.gz IODODBSOGDDDGR-UHFFFAOYSA-N 0 3 315.461 3.119 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OCc1ccc(/C=C/c2ccccc2)cc1 ZINC001217832275 1094502889 /nfs/dbraw/zinc/50/28/89/1094502889.db2.gz NNFZTIYVAOJRCO-ZBWOGFRMSA-N 0 3 304.393 3.485 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OCc1ccc(/C=C/c2ccccc2)cc1 ZINC001217832262 1094503006 /nfs/dbraw/zinc/50/30/06/1094503006.db2.gz NNFZTIYVAOJRCO-HEVSSNLLSA-N 0 3 304.393 3.485 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2nccs2)CC1 ZINC001135382917 1094510840 /nfs/dbraw/zinc/51/08/40/1094510840.db2.gz OZOVZHXVVMQZGL-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2ocnc2C)CCC1 ZINC001135396018 1094515690 /nfs/dbraw/zinc/51/56/90/1094515690.db2.gz VERYTZYNQBCUCW-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2ncc(C)s2)C1 ZINC001135427262 1094534831 /nfs/dbraw/zinc/53/48/31/1094534831.db2.gz OSJDPRXWFITEQY-CHWSQXEVSA-N 0 3 321.490 3.181 20 30 DGEDHN CCCCCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001135548026 1094572802 /nfs/dbraw/zinc/57/28/02/1094572802.db2.gz QKHPZKHIFNALPP-CQSZACIVSA-N 0 3 321.490 3.432 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1conc1CC ZINC001135560925 1094577009 /nfs/dbraw/zinc/57/70/09/1094577009.db2.gz NHCDEHQBRDJXNJ-KBPBESRZSA-N 0 3 321.465 3.212 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccs1 ZINC001135560172 1094577394 /nfs/dbraw/zinc/57/73/94/1094577394.db2.gz CIGSSVLQDAVOJZ-STQMWFEESA-N 0 3 309.479 3.118 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C#N)cc1F ZINC001336484991 1094660287 /nfs/dbraw/zinc/66/02/87/1094660287.db2.gz MKNBGTCZYYPDDF-UHFFFAOYSA-N 0 3 317.408 3.035 20 30 DGEDHN CCCCCCC[C@H](C)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218224230 1094665308 /nfs/dbraw/zinc/66/53/08/1094665308.db2.gz SKGHOZUODNNYEO-YOEHRIQHSA-N 0 3 306.450 3.170 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001086791947 1094684673 /nfs/dbraw/zinc/68/46/73/1094684673.db2.gz UWOYEKZXYQZZTM-DZGCQCFKSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001086786628 1094685346 /nfs/dbraw/zinc/68/53/46/1094685346.db2.gz KGQAFIFECPWTBZ-GXTWGEPZSA-N 0 3 322.836 3.398 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H]1CCC ZINC001121496241 1094699373 /nfs/dbraw/zinc/69/93/73/1094699373.db2.gz BERPFWNUHYPTNI-HOTGVXAUSA-N 0 3 317.481 3.042 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001336731624 1094713161 /nfs/dbraw/zinc/71/31/61/1094713161.db2.gz ICKCXCPWVSZQEJ-QPUJVOFHSA-N 0 3 305.180 3.126 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001336731622 1094713430 /nfs/dbraw/zinc/71/34/30/1094713430.db2.gz ICKCXCPWVSZQEJ-PELKAZGASA-N 0 3 305.180 3.126 20 30 DGEDHN CN1CCCC[C@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001336745099 1094719619 /nfs/dbraw/zinc/71/96/19/1094719619.db2.gz DSGJNLJOBOAOFG-HNNXBMFYSA-N 0 3 323.400 3.037 20 30 DGEDHN Cc1noc2nc(O[C@@H](C)CC(C)(C)S)c3c(c12)CCNC3 ZINC001218438891 1094774978 /nfs/dbraw/zinc/77/49/78/1094774978.db2.gz NVLIZHHIUNCAGA-VIFPVBQESA-N 0 3 321.446 3.043 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1C ZINC001103940203 1094811042 /nfs/dbraw/zinc/81/10/42/1094811042.db2.gz MZCPYESPPFAQBM-UHQRNEECSA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC001121881645 1094811320 /nfs/dbraw/zinc/81/13/20/1094811320.db2.gz QCTVRSKUCSPBGU-VBNZEHGJSA-N 0 3 324.852 3.216 20 30 DGEDHN CN[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccsc1C#N ZINC001218624992 1094841362 /nfs/dbraw/zinc/84/13/62/1094841362.db2.gz QTFXUYLRKOFGGD-ZDUSSCGKSA-N 0 3 319.817 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC001121950870 1094841447 /nfs/dbraw/zinc/84/14/47/1094841447.db2.gz HSVGDBQPBZTJCP-CYBMUJFWSA-N 0 3 318.808 3.148 20 30 DGEDHN CC[C@@H]1CCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136080678 1094848320 /nfs/dbraw/zinc/84/83/20/1094848320.db2.gz JRZUAZVGVOBTSI-CZUORRHYSA-N 0 3 319.474 3.042 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2c(C)n(C)nc2c1 ZINC001218888129 1094894204 /nfs/dbraw/zinc/89/42/04/1094894204.db2.gz BVYKJELPGVOQES-INIZCTEOSA-N 0 3 314.433 3.284 20 30 DGEDHN C=CCCOc1ccc(C(=O)Nc2cccc3c2CNC3)cc1 ZINC001218994037 1094923203 /nfs/dbraw/zinc/92/32/03/1094923203.db2.gz XWQMJCDJRYGFNV-UHFFFAOYSA-N 0 3 308.381 3.497 20 30 DGEDHN C#Cc1ccc(NC(=O)[C@@H](N)CCCc2ccccc2)cc1F ZINC001219384524 1094969948 /nfs/dbraw/zinc/96/99/48/1094969948.db2.gz RKWJOQJWJZBUQG-SFHVURJKSA-N 0 3 310.372 3.096 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001111892587 1095005217 /nfs/dbraw/zinc/00/52/17/1095005217.db2.gz XCIJZMPQUVVLGD-AYBZRNKSSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001111894589 1095006734 /nfs/dbraw/zinc/00/67/34/1095006734.db2.gz KVRBPQFCYJYRLS-BXWFABGCSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCCC(C)C)C1 ZINC001111907909 1095010287 /nfs/dbraw/zinc/01/02/87/1095010287.db2.gz MHCWAZNDAXKETE-HKUYNNGSSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1C(F)(F)F ZINC001112073410 1095031150 /nfs/dbraw/zinc/03/11/50/1095031150.db2.gz PHRACAGZWMHYLB-ZSBJFDRYSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112148177 1095037163 /nfs/dbraw/zinc/03/71/63/1095037163.db2.gz FIWOQPQFQAGBEH-BARLUBHISA-N 0 3 316.367 3.064 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)CC(=C)C)C[C@H]1C(F)(F)F ZINC001112149859 1095037191 /nfs/dbraw/zinc/03/71/91/1095037191.db2.gz WEVZKJSNILFKPK-BFHYXJOUSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](CC)CCC)C[C@H]1C(F)(F)F ZINC001112184950 1095040248 /nfs/dbraw/zinc/04/02/48/1095040248.db2.gz MOSOIMMKPYEQPC-BFHYXJOUSA-N 0 3 320.399 3.368 20 30 DGEDHN CCOc1ncc(C(=O)C(C#N)c2cccc(F)n2)cc1Cl ZINC001122713645 1095041481 /nfs/dbraw/zinc/04/14/81/1095041481.db2.gz CDSLELGJRXBVKG-JTQLQIEISA-N 0 3 319.723 3.158 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001136492307 1095052930 /nfs/dbraw/zinc/05/29/30/1095052930.db2.gz XRSRROFLUCPRLQ-OKZBNKHCSA-N 0 3 324.509 3.353 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCCC)c(OC)c2)C1 ZINC001337727495 1095072488 /nfs/dbraw/zinc/07/24/88/1095072488.db2.gz AXFJLJQLBOGVCK-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(CCCC)CC2)[C@@H](O)C1 ZINC001220288316 1095075538 /nfs/dbraw/zinc/07/55/38/1095075538.db2.gz QGXPGYRFGUYLJU-SJORKVTESA-N 0 3 324.509 3.089 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CN(CCC)C[C@@H]1O ZINC001220837181 1095162418 /nfs/dbraw/zinc/16/24/18/1095162418.db2.gz YJCWCZMPKYXURJ-SJORKVTESA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001171042587 1095178000 /nfs/dbraw/zinc/17/80/00/1095178000.db2.gz CRNPMJYTJJVNRK-CQSZACIVSA-N 0 3 307.438 3.104 20 30 DGEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCCC1)C1CCC1 ZINC001115376747 1095196177 /nfs/dbraw/zinc/19/61/77/1095196177.db2.gz ZEGZDLPYUMGEOE-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001123237238 1095196764 /nfs/dbraw/zinc/19/67/64/1095196764.db2.gz XRQDSRXUVSHHHF-MRVWCRGKSA-N 0 3 315.323 3.161 20 30 DGEDHN C[C@H]1C[C@H]1C(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115389094 1095202868 /nfs/dbraw/zinc/20/28/68/1095202868.db2.gz IGXNABWKWYQFMH-PKOBYXMFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCSCC)CCCCC1 ZINC001115424757 1095216327 /nfs/dbraw/zinc/21/63/27/1095216327.db2.gz KAOLKHWMJQKZRH-UHFFFAOYSA-N 0 3 318.914 3.291 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001221229236 1095218015 /nfs/dbraw/zinc/21/80/15/1095218015.db2.gz ULCFPWDKZSVOAA-HZPDHXFCSA-N 0 3 302.418 3.172 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001221267915 1095229458 /nfs/dbraw/zinc/22/94/58/1095229458.db2.gz GWCOXDAFVIFRIR-NVXWUHKLSA-N 0 3 304.434 3.396 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccc(C)o2)CCCCC1 ZINC001115489382 1095248723 /nfs/dbraw/zinc/24/87/23/1095248723.db2.gz SLFDIGFFCJCYNA-UHFFFAOYSA-N 0 3 324.852 3.292 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cncs2)CCCCC1 ZINC001115701225 1095342273 /nfs/dbraw/zinc/34/22/73/1095342273.db2.gz DEHAFKWKXLZHHG-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccnc(NC(=O)OC(C)(C)C)c2)C1 ZINC001143693955 1095343958 /nfs/dbraw/zinc/34/39/58/1095343958.db2.gz XPODUXPDZBPVIP-CQSZACIVSA-N 0 3 315.417 3.274 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221759122 1095348542 /nfs/dbraw/zinc/34/85/42/1095348542.db2.gz OMECPZOBHRQZTM-BHIYHBOVSA-N 0 3 312.457 3.322 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001338653293 1095353356 /nfs/dbraw/zinc/35/33/56/1095353356.db2.gz JLJAHBJGQGTDDE-IAGOWNOFSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)CCC1 ZINC001221797704 1095361050 /nfs/dbraw/zinc/36/10/50/1095361050.db2.gz BWBZDXGWSNJTJZ-RTBURBONSA-N 0 3 324.468 3.466 20 30 DGEDHN N=C(N[C@H]1CCc2cc(Cl)ccc2C1)c1ccc(F)cn1 ZINC001171100176 1095362012 /nfs/dbraw/zinc/36/20/12/1095362012.db2.gz ORYUZLJQBZXYDD-AWEZNQCLSA-N 0 3 303.768 3.137 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@H]2C(C)C)CCCCC1 ZINC001115797379 1095392395 /nfs/dbraw/zinc/39/23/95/1095392395.db2.gz BKQQWKZSKYPBFH-GJZGRUSLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCC[C@@H](NCCF)C1)c1ccccc1 ZINC001222156296 1095463390 /nfs/dbraw/zinc/46/33/90/1095463390.db2.gz DCJNGFJTRVIZPM-QZTJIDSGSA-N 0 3 318.436 3.287 20 30 DGEDHN N#Cc1ccc([O-])c(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168179 1095476784 /nfs/dbraw/zinc/47/67/84/1095476784.db2.gz WQDJOTQCYDYHQO-LJQANCHMSA-N 0 3 313.445 3.010 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116303433 1095510684 /nfs/dbraw/zinc/51/06/84/1095510684.db2.gz VXAMIXSBNTWLKB-DYVFJYSZSA-N 0 3 320.820 3.243 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc43)CC2)nc1 ZINC001144154004 1095539209 /nfs/dbraw/zinc/53/92/09/1095539209.db2.gz VFZKDXOJWVQOHS-UHFFFAOYSA-N 0 3 303.409 3.433 20 30 DGEDHN C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001222381646 1095582053 /nfs/dbraw/zinc/58/20/53/1095582053.db2.gz NPAPTOVIWFGOQI-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C[C@@H](CC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001124441408 1095593414 /nfs/dbraw/zinc/59/34/14/1095593414.db2.gz RSQWJKUTFIYODU-INIZCTEOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2csc(C)c2C)C1 ZINC001091046672 1095600537 /nfs/dbraw/zinc/60/05/37/1095600537.db2.gz UCZHLIJCGHMISU-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN N=C(Nc1ccc2[nH]cnc2c1)c1ccc2cc(O)ccc2c1 ZINC001171182897 1095661482 /nfs/dbraw/zinc/66/14/82/1095661482.db2.gz VWXJRUIWAQUQPG-UHFFFAOYSA-N 0 3 302.337 3.459 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(F)cnc1Cl ZINC001171194554 1095689187 /nfs/dbraw/zinc/68/91/87/1095689187.db2.gz KJLYLLZYBYWFHI-NSHDSACASA-N 0 3 303.768 3.467 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@H]1CCC ZINC001339718900 1095709115 /nfs/dbraw/zinc/70/91/15/1095709115.db2.gz BERPFWNUHYPTNI-HZPDHXFCSA-N 0 3 317.481 3.042 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(OC2CCC2)ncn1 ZINC001171198565 1095709268 /nfs/dbraw/zinc/70/92/68/1095709268.db2.gz NCGKZRMDLWZHKU-AWEZNQCLSA-N 0 3 322.412 3.000 20 30 DGEDHN C#Cc1ccc(CN2CCN3CCc4ccccc4[C@H]3C2)cc1 ZINC001144578542 1095714572 /nfs/dbraw/zinc/71/45/72/1095714572.db2.gz GIZGEKGEZREPIW-OAQYLSRUSA-N 0 3 302.421 3.083 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3cccc(OC)n3)C2)cc1 ZINC001144580762 1095717469 /nfs/dbraw/zinc/71/74/69/1095717469.db2.gz IGUCECWIBDYRQW-GOSISDBHSA-N 0 3 322.408 3.115 20 30 DGEDHN COc1ccc(CN(C2CCC2)C2CCOCC2)c(C#N)c1 ZINC001137706763 1095718163 /nfs/dbraw/zinc/71/81/63/1095718163.db2.gz PPEJKVWFBOXCEV-UHFFFAOYSA-N 0 3 300.402 3.100 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC001339918988 1095779516 /nfs/dbraw/zinc/77/95/16/1095779516.db2.gz DNRFEJWDPSGHOZ-INIZCTEOSA-N 0 3 319.449 3.110 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC001340014704 1095816553 /nfs/dbraw/zinc/81/65/53/1095816553.db2.gz YURWOHKGOVIHJV-SNVBAGLBSA-N 0 3 311.357 3.197 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC001340183701 1095900265 /nfs/dbraw/zinc/90/02/65/1095900265.db2.gz KUZQJTJEFGCLPX-HNNXBMFYSA-N 0 3 305.397 3.048 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C)cc2C)C1 ZINC001091351533 1095906673 /nfs/dbraw/zinc/90/66/73/1095906673.db2.gz AFUJXVIOSBKACA-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(CF)cc2)C1 ZINC001091381924 1095926321 /nfs/dbraw/zinc/92/63/21/1095926321.db2.gz HANIYRHPDDMLBX-UHFFFAOYSA-N 0 3 310.800 3.007 20 30 DGEDHN C[C@H](c1ccncc1)N1CCC(Nc2cccc(CC#N)n2)CC1 ZINC001118155380 1095948650 /nfs/dbraw/zinc/94/86/50/1095948650.db2.gz QDUQQQLOCFKAOW-OAHLLOKOSA-N 0 3 321.428 3.180 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)C2CCC(C)CC2)CC1 ZINC001223442868 1095970195 /nfs/dbraw/zinc/97/01/95/1095970195.db2.gz DCHHGVWKGYKGIW-KVZIAJEVSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001223610869 1096014604 /nfs/dbraw/zinc/01/46/04/1096014604.db2.gz LKGUCYGAYNAWOY-MJGOQNOKSA-N 0 3 304.478 3.054 20 30 DGEDHN N#CC[C@@H](O)CN[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001340734974 1096019587 /nfs/dbraw/zinc/01/95/87/1096019587.db2.gz ZWLGCXBIFJQQTP-SJLPKXTDSA-N 0 3 314.816 3.488 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001276924114 1096075416 /nfs/dbraw/zinc/07/54/16/1096075416.db2.gz RUSWLHUOBHXIPY-SJORKVTESA-N 0 3 322.493 3.271 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)CC(C)C)C[C@@H]21 ZINC001223865257 1096082695 /nfs/dbraw/zinc/08/26/95/1096082695.db2.gz KHGUSJFBNFVUNX-KSZLIROESA-N 0 3 304.478 3.005 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H](CC)CCCC)CC1 ZINC001223872321 1096083892 /nfs/dbraw/zinc/08/38/92/1096083892.db2.gz BYAPYQAPHXMZKX-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC001341002677 1096092371 /nfs/dbraw/zinc/09/23/71/1096092371.db2.gz DDFDQKQZZUIKIQ-ZWKOTPCHSA-N 0 3 324.509 3.339 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC001341193881 1096131405 /nfs/dbraw/zinc/13/14/05/1096131405.db2.gz WOHCXPFKKJYPPI-IZGBJUCLSA-N 0 3 311.429 3.102 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2ccc(F)cc2Cl)C1 ZINC001276948545 1096141408 /nfs/dbraw/zinc/14/14/08/1096141408.db2.gz YGLKCLXQMNNNQV-NNUKFRKNSA-N 0 3 324.827 3.430 20 30 DGEDHN N#CCC1(CN2CCC([C@H]3c4ccccc4NC3=O)CC2)CC1 ZINC001119250628 1096145171 /nfs/dbraw/zinc/14/51/71/1096145171.db2.gz OCPHTHMRBOLEKF-KRWDZBQOSA-N 0 3 309.413 3.128 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]21 ZINC001224208547 1096164225 /nfs/dbraw/zinc/16/42/25/1096164225.db2.gz ZDGCQNOVUTZGGF-SJORKVTESA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN([C@@H](C)c1cccc(F)c1)C2 ZINC001147188355 1096179572 /nfs/dbraw/zinc/17/95/72/1096179572.db2.gz XTUBGWGVBYFATJ-HNNXBMFYSA-N 0 3 316.420 3.387 20 30 DGEDHN CCCCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1ccc(C)o1 ZINC001119387812 1096185349 /nfs/dbraw/zinc/18/53/49/1096185349.db2.gz GTWDEKTVOUEFIW-LSDHHAIUSA-N 0 3 305.422 3.299 20 30 DGEDHN C=CCC1(C(=O)NCC2CCN(C[C@H](F)CC)CC2)CCC1 ZINC001224402321 1096201455 /nfs/dbraw/zinc/20/14/55/1096201455.db2.gz FBNYNGRBHXVDFM-MRXNPFEDSA-N 0 3 310.457 3.309 20 30 DGEDHN C[C@H](CCC#N)CN1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001119450199 1096204140 /nfs/dbraw/zinc/20/41/40/1096204140.db2.gz DRMGEOXDJJCKPL-OAHLLOKOSA-N 0 3 321.465 3.259 20 30 DGEDHN CC[C@@H](CC(=O)NCCNCc1ccc(C#N)cc1)C(C)(C)C ZINC001147476438 1096226979 /nfs/dbraw/zinc/22/69/79/1096226979.db2.gz YLYLEZLYWQUPGX-KRWDZBQOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccco1 ZINC001224555338 1096237344 /nfs/dbraw/zinc/23/73/44/1096237344.db2.gz IXDQKJUPZUCMIP-SFRZCGLPSA-N 0 3 308.809 3.062 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001276980546 1096238322 /nfs/dbraw/zinc/23/83/22/1096238322.db2.gz VAICDFODWBOEJU-MRXNPFEDSA-N 0 3 312.457 3.254 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCCC(C)(C)C)C2)C1 ZINC001147610707 1096251119 /nfs/dbraw/zinc/25/11/19/1096251119.db2.gz KJWJWTKHNNPDNV-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224665395 1096259475 /nfs/dbraw/zinc/25/94/75/1096259475.db2.gz HYUMVEWELNSSCN-UHFFFAOYSA-N 0 3 320.399 3.369 20 30 DGEDHN C[C@H](CCC(C)(C)C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001147787245 1096272330 /nfs/dbraw/zinc/27/23/30/1096272330.db2.gz RGWUVBLRXPEOCE-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224871468 1096304417 /nfs/dbraw/zinc/30/44/17/1096304417.db2.gz LVIPDJWEDLYMTP-RTBURBONSA-N 0 3 312.457 3.245 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148095314 1096307480 /nfs/dbraw/zinc/30/74/80/1096307480.db2.gz HCRCQCHAMJAKBE-GJZGRUSLSA-N 0 3 318.486 3.241 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1Cl ZINC001225394977 1096417919 /nfs/dbraw/zinc/41/79/19/1096417919.db2.gz GZZNSSFLFOQMJQ-APHBMKBZSA-N 0 3 319.836 3.017 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CCC)c3ccccc3)C2)C1 ZINC001148713764 1096427433 /nfs/dbraw/zinc/42/74/33/1096427433.db2.gz GHABXTTXMDTRLS-IBGZPJMESA-N 0 3 324.468 3.128 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C)CCCCCC3)C[C@]2(C)C1 ZINC001091745543 1096432615 /nfs/dbraw/zinc/43/26/15/1096432615.db2.gz NIBWOYQRGMGUQT-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)C1CC=CC1 ZINC001225478567 1096442420 /nfs/dbraw/zinc/44/24/20/1096442420.db2.gz TWOQOIRBXOGEFE-WOJBJXKFSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(CC=C)CCCCC3)C2)C1 ZINC001148819481 1096453231 /nfs/dbraw/zinc/45/32/31/1096453231.db2.gz OJRIYIAHINVIHU-UHFFFAOYSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001086861132 1096487441 /nfs/dbraw/zinc/48/74/41/1096487441.db2.gz KSUZNNONFWNFGG-GOEBONIOSA-N 0 3 306.837 3.236 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001225638847 1096490922 /nfs/dbraw/zinc/49/09/22/1096490922.db2.gz KIQUTKAITIYNTR-AEFFLSMTSA-N 0 3 304.478 3.054 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1cccnc1C#N ZINC001225670790 1096500722 /nfs/dbraw/zinc/50/07/22/1096500722.db2.gz NTELITAXAFTSHN-DNVCBOLYSA-N 0 3 307.397 3.243 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001086942653 1096516391 /nfs/dbraw/zinc/51/63/91/1096516391.db2.gz XMKYWVHTYBBBMQ-RCCFBDPRSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)C3CCC3)C2)CC1 ZINC001086928521 1096518250 /nfs/dbraw/zinc/51/82/50/1096518250.db2.gz GHWCESOBRAYCLK-DLBZAZTESA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001086946579 1096518819 /nfs/dbraw/zinc/51/88/19/1096518819.db2.gz CRHDDNDMPKKDMS-SJORKVTESA-N 0 3 304.478 3.005 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H]3CN(C[C@H](F)CC)C[C@@]3(C)C2)CC1 ZINC001091978881 1096565581 /nfs/dbraw/zinc/56/55/81/1096565581.db2.gz JGSDRNWRYXEFCQ-LMMKCTJWSA-N 0 3 322.468 3.261 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)C[C@]2(C)C1 ZINC001092221594 1096588478 /nfs/dbraw/zinc/58/84/78/1096588478.db2.gz GDPJKJHFDRGRBK-NQIIRXRSSA-N 0 3 324.468 3.011 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC=C)c1ccccc1)C2 ZINC001110130789 1096604157 /nfs/dbraw/zinc/60/41/57/1096604157.db2.gz DOOWWNBWUVLZGB-ZRNYENFQSA-N 0 3 322.452 3.091 20 30 DGEDHN COc1cccc(C#N)c1O[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001226249830 1096646396 /nfs/dbraw/zinc/64/63/96/1096646396.db2.gz CZAJNGWJMOJAIU-KXBFYZLASA-N 0 3 322.408 3.466 20 30 DGEDHN C=CCCC(=O)NC1CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001226518886 1096711134 /nfs/dbraw/zinc/71/11/34/1096711134.db2.gz NZRUAUBDPFFZKC-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226640584 1096739598 /nfs/dbraw/zinc/73/95/98/1096739598.db2.gz OZKPZAZSADMARR-DYVFJYSZSA-N 0 3 317.408 3.017 20 30 DGEDHN COCCN1CCC(Oc2ccc3cc(C#N)ccc3c2)CC1 ZINC001226813224 1096785669 /nfs/dbraw/zinc/78/56/69/1096785669.db2.gz NJJIRHKIPCEBLB-UHFFFAOYSA-N 0 3 310.397 3.201 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC001171488968 1096896294 /nfs/dbraw/zinc/89/62/94/1096896294.db2.gz BGXLBYBXUGFDRS-LAUBAEHRSA-N 0 3 324.468 3.298 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC001171491793 1096897527 /nfs/dbraw/zinc/89/75/27/1096897527.db2.gz ZHQBOFNTMBKLRP-IEBWSBKVSA-N 0 3 310.441 3.226 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001277202182 1096919778 /nfs/dbraw/zinc/91/97/78/1096919778.db2.gz IKZGLELAXFFNGD-HZPDHXFCSA-N 0 3 304.478 3.101 20 30 DGEDHN CCCCCCCN1CC2(C[C@@H]2C(=O)N2CCCC23CC3)C1 ZINC001277226088 1096963397 /nfs/dbraw/zinc/96/33/97/1096963397.db2.gz QCZPWLXOXMEEIG-MRXNPFEDSA-N 0 3 304.478 3.434 20 30 DGEDHN CCCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001277231211 1096968338 /nfs/dbraw/zinc/96/83/38/1096968338.db2.gz JPRANEOHHNAILD-MJGOQNOKSA-N 0 3 317.477 3.183 20 30 DGEDHN CCCCCCCCN1CC2(C[C@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277231788 1096969549 /nfs/dbraw/zinc/96/95/49/1096969549.db2.gz ZCIOEOSBRZKFOP-HNNXBMFYSA-N 0 3 304.438 3.031 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCCCC2)C1 ZINC001171798350 1096981177 /nfs/dbraw/zinc/98/11/77/1096981177.db2.gz CNSDDHFYOQPEBP-HHXXYDBFSA-N 0 3 319.493 3.332 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001227766667 1096985155 /nfs/dbraw/zinc/98/51/55/1096985155.db2.gz VPLOLQLCCVJSAK-OAHLLOKOSA-N 0 3 303.450 3.018 20 30 DGEDHN C=CCCCCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001227881116 1097006487 /nfs/dbraw/zinc/00/64/87/1097006487.db2.gz AZBHAGBRPNTVGM-KRWDZBQOSA-N 0 3 307.482 3.439 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(Cl)ccc1Cl ZINC001171922772 1097009419 /nfs/dbraw/zinc/00/94/19/1097009419.db2.gz JHIFFXVSARJKIT-UHFFFAOYSA-N 0 3 321.635 3.455 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)N[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172013813 1097018811 /nfs/dbraw/zinc/01/88/11/1097018811.db2.gz RYZVDZDUJZJOMB-LSDHHAIUSA-N 0 3 314.429 3.055 20 30 DGEDHN N#Cc1c(F)cc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001228220872 1097077185 /nfs/dbraw/zinc/07/71/85/1097077185.db2.gz IXSQUMKXOUNYKI-CQSZACIVSA-N 0 3 314.335 3.490 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001228269258 1097085801 /nfs/dbraw/zinc/08/58/01/1097085801.db2.gz CRQKZPAUNQKNAF-IAGOWNOFSA-N 0 3 319.424 3.094 20 30 DGEDHN COc1ccc2c(c1)c(CN)nn2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172305493 1097095381 /nfs/dbraw/zinc/09/53/81/1097095381.db2.gz SOXUNXOFSMHGME-ZDUSSCGKSA-N 0 3 320.396 3.179 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(CC2CCC2)cn1 ZINC001172299225 1097110127 /nfs/dbraw/zinc/11/01/27/1097110127.db2.gz IKUMHOMQJKFKLM-HNNXBMFYSA-N 0 3 308.429 3.276 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228412683 1097115822 /nfs/dbraw/zinc/11/58/22/1097115822.db2.gz BELMZVJKZQJEPS-INMHGKMJSA-N 0 3 321.490 3.262 20 30 DGEDHN CC[C@@H](C)OCC[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001172340838 1097118741 /nfs/dbraw/zinc/11/87/41/1097118741.db2.gz LNTASKCAZCQCTJ-IAGOWNOFSA-N 0 3 315.461 3.274 20 30 DGEDHN CC[C@@H](C)OCC[C@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001172340837 1097118820 /nfs/dbraw/zinc/11/88/20/1097118820.db2.gz LNTASKCAZCQCTJ-DLBZAZTESA-N 0 3 315.461 3.274 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)c1ccc(C)o1 ZINC001277315309 1097147626 /nfs/dbraw/zinc/14/76/26/1097147626.db2.gz UOHNVNQCPSLITK-GXTWGEPZSA-N 0 3 312.841 3.319 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001228621750 1097153919 /nfs/dbraw/zinc/15/39/19/1097153919.db2.gz GKYBGZIISAMAEP-UHFFFAOYSA-N 0 3 318.436 3.449 20 30 DGEDHN C[C@@H](CCCC#N)NCc1cn(Cc2ccccc2F)cn1 ZINC001172493000 1097167884 /nfs/dbraw/zinc/16/78/84/1097167884.db2.gz QYPMPNKGNKQVFF-AWEZNQCLSA-N 0 3 300.381 3.242 20 30 DGEDHN C[C@@H](CCCC#N)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496517 1097170336 /nfs/dbraw/zinc/17/03/36/1097170336.db2.gz NKQXMLUTVFBAGG-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN CO[C@@H](CN1CCN([C@H](C)CCCC#N)CC1)c1ccccc1 ZINC001172498307 1097170796 /nfs/dbraw/zinc/17/07/96/1097170796.db2.gz LHWATKIKWQNCIH-MJGOQNOKSA-N 0 3 315.461 3.074 20 30 DGEDHN C[C@H](CCCC#N)N1CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001172499866 1097171964 /nfs/dbraw/zinc/17/19/64/1097171964.db2.gz GFXLDXWQEFBPSN-MCIONIFRSA-N 0 3 313.417 3.006 20 30 DGEDHN C[C@H](CCCC#N)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001172500201 1097172481 /nfs/dbraw/zinc/17/24/81/1097172481.db2.gz KJFSZUAXQZEZQS-CQSZACIVSA-N 0 3 309.454 3.400 20 30 DGEDHN CCOc1ccc(N2CCN([C@H](C)CCCC#N)CC2)cc1 ZINC001172509001 1097174122 /nfs/dbraw/zinc/17/41/22/1097174122.db2.gz IZCAFMUCDPNUSH-MRXNPFEDSA-N 0 3 301.434 3.290 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccc(O)cc3)C2)c1 ZINC001204095932 1097209187 /nfs/dbraw/zinc/20/91/87/1097209187.db2.gz FFLSIFOLYHWSJE-LJQANCHMSA-N 0 3 308.381 3.307 20 30 DGEDHN CC/C(C)=C/C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001277397278 1097342147 /nfs/dbraw/zinc/34/21/47/1097342147.db2.gz FWFKZDYDKCUVTM-ISLYRVAYSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCOC1CCC(N[C@H]2C(=O)Nc3cccc(C)c32)CC1 ZINC001173311767 1097407739 /nfs/dbraw/zinc/40/77/39/1097407739.db2.gz PXOIRUXLLRUKCW-MQBCKMQZSA-N 0 3 300.402 3.092 20 30 DGEDHN CC[C@H]1CC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001173292268 1097415834 /nfs/dbraw/zinc/41/58/34/1097415834.db2.gz DRDJGZPXPSLYIL-HOCLYGCPSA-N 0 3 301.409 3.398 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001230328683 1097477618 /nfs/dbraw/zinc/47/76/18/1097477618.db2.gz RFVPAZARFFBCTL-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](C)CCc2ccccc2)CC1 ZINC001230417338 1097489524 /nfs/dbraw/zinc/48/95/24/1097489524.db2.gz KLMYXGHQLKWYGY-QGZVFWFLSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C(F)=C(C)C)Cc1cccnc1 ZINC001230731915 1097569633 /nfs/dbraw/zinc/56/96/33/1097569633.db2.gz SXBNOYHFRGWHGN-UHFFFAOYSA-N 0 3 319.424 3.229 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCCOCC ZINC001230860566 1097608533 /nfs/dbraw/zinc/60/85/33/1097608533.db2.gz NXARPHIGIFFGCI-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001277473888 1097630553 /nfs/dbraw/zinc/63/05/53/1097630553.db2.gz LSDDSNVUZLDTSP-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCc1cccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001231010815 1097645603 /nfs/dbraw/zinc/64/56/03/1097645603.db2.gz UGIXZUDUXNYXDI-HDICACEKSA-N 0 3 301.430 3.437 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001231063056 1097659002 /nfs/dbraw/zinc/65/90/02/1097659002.db2.gz XQEZJWZJNKXYJF-INIZCTEOSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231084439 1097664739 /nfs/dbraw/zinc/66/47/39/1097664739.db2.gz BBOUZVYVNFVUJU-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231088481 1097665964 /nfs/dbraw/zinc/66/59/64/1097665964.db2.gz ZBAXSOPNEIPYAQ-WMZOPIPTSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCC(C)(C)C ZINC001231094440 1097666981 /nfs/dbraw/zinc/66/69/81/1097666981.db2.gz GRNZYTBQYCSXNV-DLBZAZTESA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCC=C ZINC001231095512 1097667619 /nfs/dbraw/zinc/66/76/19/1097667619.db2.gz RAHGPIAYIKOHBA-ZWKOTPCHSA-N 0 3 322.493 3.247 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC/C=C/CCC ZINC001231095845 1097668001 /nfs/dbraw/zinc/66/80/01/1097668001.db2.gz UNIQUFVBXFWVEE-UIVAWZFMSA-N 0 3 322.493 3.247 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1Cc1cc(C)ccc1C ZINC001231115368 1097671612 /nfs/dbraw/zinc/67/16/12/1097671612.db2.gz UYSUMSNTGRPQKU-GOSISDBHSA-N 0 3 300.446 3.302 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(OC(=O)C(C)C)c(OC)c2)C1 ZINC001231531474 1097775456 /nfs/dbraw/zinc/77/54/56/1097775456.db2.gz RBWJCXFUNFXQDD-HNNXBMFYSA-N 0 3 315.413 3.102 20 30 DGEDHN C[C@@H]1C[C@H](O)CCN1Cc1ccccc1C#Cc1ccccc1 ZINC001231578393 1097783107 /nfs/dbraw/zinc/78/31/07/1097783107.db2.gz MASIYZPSVNKPPO-DYESRHJHSA-N 0 3 305.421 3.432 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CCC)c3ccccc3)C2)C1 ZINC001277538145 1097783259 /nfs/dbraw/zinc/78/32/59/1097783259.db2.gz OQQGPWHKSNLITL-PZJWPPBQSA-N 0 3 324.468 3.128 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCN3C3CCCC3)C2)c(Cl)c1 ZINC001277543145 1097794973 /nfs/dbraw/zinc/79/49/73/1097794973.db2.gz HMJAANFGEWSQOI-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN C#Cc1cccc(CN2CCC(NC(=O)CC(C)(C)C)CC2)c1 ZINC001231661235 1097806853 /nfs/dbraw/zinc/80/68/53/1097806853.db2.gz QIBPVLGDUMGNNV-UHFFFAOYSA-N 0 3 312.457 3.185 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001174694467 1097827583 /nfs/dbraw/zinc/82/75/83/1097827583.db2.gz PQAYBQQVVZXFCV-ZDUSSCGKSA-N 0 3 309.479 3.120 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001174694466 1097828188 /nfs/dbraw/zinc/82/81/88/1097828188.db2.gz PQAYBQQVVZXFCV-CYBMUJFWSA-N 0 3 309.479 3.120 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](NCc1cscn1)C(C)C ZINC001277581843 1097879653 /nfs/dbraw/zinc/87/96/53/1097879653.db2.gz GLVUFXHPHQNTRZ-OAHLLOKOSA-N 0 3 323.506 3.366 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(F)c(F)cc1Cl ZINC001175141891 1097959043 /nfs/dbraw/zinc/95/90/43/1097959043.db2.gz TYOQVSSPCVQITE-UHFFFAOYSA-N 0 3 323.170 3.080 20 30 DGEDHN C=CCN(Cc1[nH]nc2cccc(C(=O)OC)c21)C(C)(C)C ZINC001232439361 1098038722 /nfs/dbraw/zinc/03/87/22/1098038722.db2.gz FIAARVQKQMICMF-UHFFFAOYSA-N 0 3 301.390 3.136 20 30 DGEDHN Cc1cnc(N=C2CCN(Cc3ccccc3)CC2)c(C#N)c1 ZINC001175504549 1098073730 /nfs/dbraw/zinc/07/37/30/1098073730.db2.gz GVDGXMDPQSMRKV-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN Cc1cnc(NC2=CCN(Cc3ccccc3)CC2)c(C#N)c1 ZINC001175504549 1098073732 /nfs/dbraw/zinc/07/37/32/1098073732.db2.gz GVDGXMDPQSMRKV-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN N#Cc1cccc(O)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506989 1098077445 /nfs/dbraw/zinc/07/74/45/1098077445.db2.gz RZRXQJXFRNNYEZ-UHFFFAOYSA-N 0 3 305.381 3.466 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](CNCc1ccns1)C1CC1 ZINC001277692420 1098103587 /nfs/dbraw/zinc/10/35/87/1098103587.db2.gz BTVQKXYWXCACJX-RDJZCZTQSA-N 0 3 321.490 3.072 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001232892521 1098165772 /nfs/dbraw/zinc/16/57/72/1098165772.db2.gz NUFQOMBMMKAXIR-ZWKOTPCHSA-N 0 3 319.399 3.096 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cccc(C#N)c3)cc2)CC1 ZINC001175780862 1098169079 /nfs/dbraw/zinc/16/90/79/1098169079.db2.gz BEFHLZIXIXHPNN-UHFFFAOYSA-N 0 3 306.413 3.444 20 30 DGEDHN CCN1CCN(c2ccc(Nc3c(C)ccnc3C#N)cc2)CC1 ZINC001175782604 1098170353 /nfs/dbraw/zinc/17/03/53/1098170353.db2.gz SSAPIBXZTITHFI-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN C[C@@H]1CN(Cc2cccc(C#N)n2)[C@@H](C)CN1Cc1ccccc1 ZINC001232923093 1098173779 /nfs/dbraw/zinc/17/37/79/1098173779.db2.gz ZXIPLRRTMUWNKB-SJORKVTESA-N 0 3 320.440 3.048 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cnc(C)o2)C[C@H]1C ZINC001277739506 1098181348 /nfs/dbraw/zinc/18/13/48/1098181348.db2.gz ICMJKLRZUFUEOV-UKRRQHHQSA-N 0 3 319.449 3.054 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(Cl)c(F)c3F)CCC2S1 ZINC001233208432 1098250402 /nfs/dbraw/zinc/25/04/02/1098250402.db2.gz BODFQJUAZFZVBV-LLVKDONJSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCc1ccoc1 ZINC001233590711 1098384512 /nfs/dbraw/zinc/38/45/12/1098384512.db2.gz QYVODXFYXCUZDD-SFHVURJKSA-N 0 3 318.461 3.491 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCCCO1 ZINC001233675474 1098404877 /nfs/dbraw/zinc/40/48/77/1098404877.db2.gz YVQJIZSLKKPBQN-MSOLQXFVSA-N 0 3 324.509 3.449 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001233692903 1098409829 /nfs/dbraw/zinc/40/98/29/1098409829.db2.gz IMFNBVLXFJMGKH-MRXNPFEDSA-N 0 3 316.449 3.003 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Oc1cnc(C#N)nc1 ZINC001233709264 1098414249 /nfs/dbraw/zinc/41/42/49/1098414249.db2.gz GKSSRUPCLFAPDL-KRWDZBQOSA-N 0 3 322.412 3.028 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cc(C)c(C)s2)C1 ZINC001233710059 1098414285 /nfs/dbraw/zinc/41/42/85/1098414285.db2.gz NXJTVOYTCHRJKU-AWEZNQCLSA-N 0 3 308.447 3.242 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001233762576 1098424962 /nfs/dbraw/zinc/42/49/62/1098424962.db2.gz SOZBEZYCMGXBCG-SFHVURJKSA-N 0 3 302.462 3.213 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CCC ZINC001233760993 1098424993 /nfs/dbraw/zinc/42/49/93/1098424993.db2.gz GQTHYOIJSKBXKQ-LNENJAERSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001233762575 1098425626 /nfs/dbraw/zinc/42/56/26/1098425626.db2.gz SOZBEZYCMGXBCG-GOSISDBHSA-N 0 3 302.462 3.213 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H](CC)c1ccccc1 ZINC001233914851 1098456499 /nfs/dbraw/zinc/45/64/99/1098456499.db2.gz GTAYDVALGYBVMK-OALUTQOASA-N 0 3 312.457 3.474 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233916217 1098456545 /nfs/dbraw/zinc/45/65/45/1098456545.db2.gz UWMRHDQDCDGKHD-CHWSQXEVSA-N 0 3 310.825 3.434 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2cc(C)ccc2o1 ZINC001176942413 1098460185 /nfs/dbraw/zinc/46/01/85/1098460185.db2.gz JFEVKCPAXNZCFS-UHFFFAOYSA-N 0 3 306.793 3.203 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC1(OC)CCC1 ZINC001233958691 1098466402 /nfs/dbraw/zinc/46/64/02/1098466402.db2.gz VBHAIXIKXWROTR-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001177141884 1098483390 /nfs/dbraw/zinc/48/33/90/1098483390.db2.gz CEDBTEPGROMCRX-OAHLLOKOSA-N 0 3 312.816 3.168 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)OC1CCCCC1 ZINC001234297225 1098531161 /nfs/dbraw/zinc/53/11/61/1098531161.db2.gz RSNLNFDMYNQCIV-WMZOPIPTSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001234391612 1098546714 /nfs/dbraw/zinc/54/67/14/1098546714.db2.gz AUHVSPIYJBEGBU-KSZLIROESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCCOC(C)C ZINC001234516998 1098577033 /nfs/dbraw/zinc/57/70/33/1098577033.db2.gz HYEUNLHEMHMOHE-SFHVURJKSA-N 0 3 322.493 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001234555403 1098598381 /nfs/dbraw/zinc/59/83/81/1098598381.db2.gz UCJSAUUGGAYVLM-HNNXBMFYSA-N 0 3 320.502 3.426 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CCN1CCCCCC)OCC ZINC001234642084 1098627833 /nfs/dbraw/zinc/62/78/33/1098627833.db2.gz GXPTURJYUKZBDV-QZTJIDSGSA-N 0 3 324.509 3.471 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(C)C[C@H]1CCN1CC/C=C/CC)OCC ZINC001234644991 1098629292 /nfs/dbraw/zinc/62/92/92/1098629292.db2.gz XUKNZDXEXVJQEH-NUQYTELCSA-N 0 3 322.493 3.247 20 30 DGEDHN CC#CC[C@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661044 1098636655 /nfs/dbraw/zinc/63/66/55/1098636655.db2.gz PMOWMQHCZPLQKP-SFHVURJKSA-N 0 3 300.446 3.399 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001280881102 1098643205 /nfs/dbraw/zinc/64/32/05/1098643205.db2.gz OPEOOKASHCNNBD-UHFFFAOYSA-N 0 3 316.489 3.006 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cnc2ccccc2n1 ZINC001177903790 1098643538 /nfs/dbraw/zinc/64/35/38/1098643538.db2.gz KYBKMUOJNYYBCK-NSHDSACASA-N 0 3 308.366 3.012 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccncc2)no1 ZINC001177903817 1098643712 /nfs/dbraw/zinc/64/37/12/1098643712.db2.gz LDIBPWNQEQDQLE-LBPRGKRZSA-N 0 3 324.365 3.119 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1ncc(C)s1 ZINC001178007852 1098676900 /nfs/dbraw/zinc/67/69/00/1098676900.db2.gz MKZHRYRHIJOWEC-UHFFFAOYSA-N 0 3 309.479 3.184 20 30 DGEDHN COCCN1CCC(Oc2cccc(C#N)c2C(C)C)CC1 ZINC001234856606 1098684989 /nfs/dbraw/zinc/68/49/89/1098684989.db2.gz LUCZDXQBZKDVFK-UHFFFAOYSA-N 0 3 302.418 3.171 20 30 DGEDHN CC/C=C(/C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178245404 1098752482 /nfs/dbraw/zinc/75/24/82/1098752482.db2.gz HIXQWSRXILMRTF-JZADBWSGSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001235353026 1098975851 /nfs/dbraw/zinc/97/58/51/1098975851.db2.gz FPHVKQSLBGLNDH-HIFRSBDPSA-N 0 3 322.399 3.466 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179212635 1099037860 /nfs/dbraw/zinc/03/78/60/1099037860.db2.gz SSUUKGDTHHGPHW-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN N#CCCCCN1CC2(CCN2CCc2c[nH]c3ccccc23)C1 ZINC001277948381 1099060468 /nfs/dbraw/zinc/06/04/68/1099060468.db2.gz IFOPMYNOYLKTBR-UHFFFAOYSA-N 0 3 322.456 3.164 20 30 DGEDHN CN1CCN(Cc2ccccc2CC#N)C[C@@H]1c1ccccc1 ZINC001235523329 1099070754 /nfs/dbraw/zinc/07/07/54/1099070754.db2.gz QVGXQKIYEXGQSE-HXUWFJFHSA-N 0 3 305.425 3.241 20 30 DGEDHN CC(C)(C)OC(=O)C[C@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235524279 1099075334 /nfs/dbraw/zinc/07/53/34/1099075334.db2.gz DJFRAFDSFUPZNE-OAHLLOKOSA-N 0 3 314.429 3.306 20 30 DGEDHN N#CCc1ccccc1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001235528719 1099078255 /nfs/dbraw/zinc/07/82/55/1099078255.db2.gz SPTRERASROMFPS-IBGZPJMESA-N 0 3 307.397 3.191 20 30 DGEDHN Cc1ncn(C)c1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001235552896 1099085272 /nfs/dbraw/zinc/08/52/72/1099085272.db2.gz NAKVSNKSNURLMB-UHFFFAOYSA-N 0 3 308.429 3.055 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCCCCNCc1ocnc1C ZINC001179482144 1099113069 /nfs/dbraw/zinc/11/30/69/1099113069.db2.gz QCEQRYQTEYNQGS-GOSISDBHSA-N 0 3 321.465 3.352 20 30 DGEDHN Cc1ccc(CNCc2ccc3c(c2)sc(=O)n3C)cc1C#N ZINC001179562859 1099129710 /nfs/dbraw/zinc/12/97/10/1099129710.db2.gz VNSKUTVZHXGEDX-UHFFFAOYSA-N 0 3 323.421 3.070 20 30 DGEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)CC(C)C ZINC001151669024 1099594863 /nfs/dbraw/zinc/59/48/63/1099594863.db2.gz BGJFWIMQFHECRO-CQSZACIVSA-N 0 3 319.424 3.070 20 30 DGEDHN C[C@@H](CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001278006027 1099771607 /nfs/dbraw/zinc/77/16/07/1099771607.db2.gz OWGNKQUTQQHNAD-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001188925696 1099890769 /nfs/dbraw/zinc/89/07/69/1099890769.db2.gz PALODEGDNKDBCG-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001188925696 1099890778 /nfs/dbraw/zinc/89/07/78/1099890778.db2.gz PALODEGDNKDBCG-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)C[C@H](C)NCC#CC)c1ccccc1 ZINC001278034223 1099893322 /nfs/dbraw/zinc/89/33/22/1099893322.db2.gz LPAKWPURLZAALE-HKUYNNGSSA-N 0 3 312.457 3.196 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001189281124 1099998631 /nfs/dbraw/zinc/99/86/31/1099998631.db2.gz YJCCMVIDWMMNCR-MRXNPFEDSA-N 0 3 312.413 3.432 20 30 DGEDHN COC(=O)c1cc2cc(CN3CCC[C@H](CC#N)C3)ccc2[nH]1 ZINC001237311319 1100073243 /nfs/dbraw/zinc/07/32/43/1100073243.db2.gz SQECLWSQBXWPDH-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN CCOC(=O)Cc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC001237479046 1100137016 /nfs/dbraw/zinc/13/70/16/1100137016.db2.gz SSKJQMXINBWPCY-UHFFFAOYSA-N 0 3 322.408 3.296 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001189925695 1100152070 /nfs/dbraw/zinc/15/20/70/1100152070.db2.gz DXAYLSCXDWFJGR-QAPCUYQASA-N 0 3 316.420 3.223 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2cc(C)sc2C)C1 ZINC001189925957 1100152666 /nfs/dbraw/zinc/15/26/66/1100152666.db2.gz ITGDAMYDQYNXNJ-KRWDZBQOSA-N 0 3 318.486 3.201 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189903028 1100158631 /nfs/dbraw/zinc/15/86/31/1100158631.db2.gz RWTCUCRGYLTUOU-DLENHJPASA-N 0 3 310.441 3.036 20 30 DGEDHN CCc1cccc(C)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001189958008 1100172174 /nfs/dbraw/zinc/17/21/74/1100172174.db2.gz MOAKDQXFMLEFND-CQSZACIVSA-N 0 3 316.426 3.363 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001273591339 1100181744 /nfs/dbraw/zinc/18/17/44/1100181744.db2.gz ONVANECBYHVTIT-UHFFFAOYSA-N 0 3 312.413 3.158 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190004568 1100184670 /nfs/dbraw/zinc/18/46/70/1100184670.db2.gz QARHPASIWGQGSP-YJBOKZPZSA-N 0 3 316.420 3.079 20 30 DGEDHN N#Cc1ccc2nc(CN3CC[C@H](Cc4ccccc4)C3)cn2c1 ZINC001237613787 1100188101 /nfs/dbraw/zinc/18/81/01/1100188101.db2.gz JALTTWIHLXJQRS-QGZVFWFLSA-N 0 3 316.408 3.271 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001190428771 1100272861 /nfs/dbraw/zinc/27/28/61/1100272861.db2.gz POEDGFKUYCMUSV-INIZCTEOSA-N 0 3 306.475 3.446 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001190429205 1100273067 /nfs/dbraw/zinc/27/30/67/1100273067.db2.gz XADAGJUIVHAYDM-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001190705661 1100318217 /nfs/dbraw/zinc/31/82/17/1100318217.db2.gz RIFPYGBPDBXVIB-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCN(C(=O)[C@H](C)C(C)C)C1CCN(CC=C(C)C)CC1 ZINC001278188257 1100361383 /nfs/dbraw/zinc/36/13/83/1100361383.db2.gz JZKWXPLJGMWEIV-QGZVFWFLSA-N 0 3 304.478 3.171 20 30 DGEDHN CCCCCCCCNC(=O)N1CCC2SC(=O)C=C2C1 ZINC001191055557 1100389505 /nfs/dbraw/zinc/38/95/05/1100389505.db2.gz VJWZINSLEUHPER-AWEZNQCLSA-N 0 3 310.463 3.331 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001191237052 1100436694 /nfs/dbraw/zinc/43/66/94/1100436694.db2.gz HMCAPCLKCZHXGK-KZNAEPCWSA-N 0 3 324.509 3.111 20 30 DGEDHN CN(Cc1cc(C#N)ccn1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001191417009 1100463510 /nfs/dbraw/zinc/46/35/10/1100463510.db2.gz LVZQIYZMRGBUAG-LJQANCHMSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)cnc1C1CC1 ZINC001238617717 1100485061 /nfs/dbraw/zinc/48/50/61/1100485061.db2.gz GPSKMILVKUOVNJ-OAHLLOKOSA-N 0 3 300.427 3.042 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191717623 1100501490 /nfs/dbraw/zinc/50/14/90/1100501490.db2.gz AHSVDZFJWCVCPF-DVESRUBUSA-N 0 3 312.457 3.445 20 30 DGEDHN CCC(CC)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001151980874 1100552619 /nfs/dbraw/zinc/55/26/19/1100552619.db2.gz LFXQDJPCQZEGOM-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1cccc(F)c1F ZINC001192801226 1100663286 /nfs/dbraw/zinc/66/32/86/1100663286.db2.gz FHWTZRQATLEYCP-BDJLRTHQSA-N 0 3 302.324 3.221 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc(CC)c3)CC2)C1=O ZINC001273651523 1100693776 /nfs/dbraw/zinc/69/37/76/1100693776.db2.gz MCCVUCNIBIASQD-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN CC(C)CCCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001193325004 1100727722 /nfs/dbraw/zinc/72/77/22/1100727722.db2.gz XNKLYHOCKRRMCG-GOSISDBHSA-N 0 3 303.425 3.444 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@]3(CCN(CC=C)C3=O)CC2)cc1 ZINC001273671769 1100884227 /nfs/dbraw/zinc/88/42/27/1100884227.db2.gz QOAKPHWNESMFID-NRFANRHFSA-N 0 3 322.452 3.059 20 30 DGEDHN C=CCOC(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001194311245 1100910895 /nfs/dbraw/zinc/91/08/95/1100910895.db2.gz KSVCQVCQTXYKNJ-RDJZCZTQSA-N 0 3 302.418 3.151 20 30 DGEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)CC=C(C)C)C2)CCCCC1 ZINC001194367144 1100921412 /nfs/dbraw/zinc/92/14/12/1100921412.db2.gz CFIPDLDJOMTGCI-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)CCc2ccccc2)C1 ZINC001194381777 1100930324 /nfs/dbraw/zinc/93/03/24/1100930324.db2.gz NICJHIDCNFJRCT-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN N#Cc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cc(C2C[NH2+]C2)c1 ZINC001240361232 1100959549 /nfs/dbraw/zinc/95/95/49/1100959549.db2.gz MDOLSZHRQIEQFG-UHFFFAOYSA-N 0 3 305.406 3.207 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cccc(F)c3CC#N)cc2)CC1 ZINC001240414902 1100985822 /nfs/dbraw/zinc/98/58/22/1100985822.db2.gz GCVJBKRSMSVAFD-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC/C=C/CCC)CC1 ZINC001195175043 1101093082 /nfs/dbraw/zinc/09/30/82/1101093082.db2.gz YUAXKWAHRAXGAV-BLGFXRMMSA-N 0 3 322.493 3.248 20 30 DGEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2cccc(C#N)c2)C1 ZINC001195250031 1101105542 /nfs/dbraw/zinc/10/55/42/1101105542.db2.gz IWZJVRNKMKRHEC-RHSMWYFYSA-N 0 3 314.429 3.358 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1 ZINC001195463032 1101138739 /nfs/dbraw/zinc/13/87/39/1101138739.db2.gz FXOUVKIUBWGOEZ-SFHVURJKSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cncc(F)c2)CC1 ZINC001195465627 1101142090 /nfs/dbraw/zinc/14/20/90/1101142090.db2.gz COZGGPUPSQBCAL-UHFFFAOYSA-N 0 3 319.424 3.115 20 30 DGEDHN C=CCCN1CCCN(C(=O)[C@H](C)OCCCCCC)CC1 ZINC001195839624 1101211396 /nfs/dbraw/zinc/21/13/96/1101211396.db2.gz QLVQPGDLQFGCGR-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001152260095 1101283030 /nfs/dbraw/zinc/28/30/30/1101283030.db2.gz ZTCGXWJGVIQNBT-HUUCEWRRSA-N 0 3 324.490 3.056 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001152260094 1101283354 /nfs/dbraw/zinc/28/33/54/1101283354.db2.gz ZTCGXWJGVIQNBT-CABCVRRESA-N 0 3 324.490 3.056 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cnccc1-c1ccccc1 ZINC001196487358 1101316704 /nfs/dbraw/zinc/31/67/04/1101316704.db2.gz RIVOFCHZRXTCFQ-KRWDZBQOSA-N 0 3 321.424 3.129 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196666025 1101363136 /nfs/dbraw/zinc/36/31/36/1101363136.db2.gz OPFBMEWYWQPGFC-QULHZPMSSA-N 0 3 322.493 3.106 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCCN(CC/C=C/CC)CC2)cc1 ZINC001196710516 1101366550 /nfs/dbraw/zinc/36/65/50/1101366550.db2.gz KMWDRADVJGWGQO-AATRIKPKSA-N 0 3 310.441 3.172 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001196830322 1101402880 /nfs/dbraw/zinc/40/28/80/1101402880.db2.gz KOHLWBPMVCQLRW-WMZOPIPTSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196896237 1101429100 /nfs/dbraw/zinc/42/91/00/1101429100.db2.gz ZQFKPTRBJRTHLU-MRXNPFEDSA-N 0 3 320.502 3.427 20 30 DGEDHN C=CCCCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001196984887 1101450714 /nfs/dbraw/zinc/45/07/14/1101450714.db2.gz VITNHLXXEATIHM-UHFFFAOYSA-N 0 3 300.446 3.386 20 30 DGEDHN CC(C)(C)/C=C/c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001241562517 1101550084 /nfs/dbraw/zinc/55/00/84/1101550084.db2.gz KTGYCSUAZFVZNL-GUOLPTJISA-N 0 3 301.390 3.485 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2oncc2C)CC1 ZINC001197669328 1101629749 /nfs/dbraw/zinc/62/97/49/1101629749.db2.gz MXSNYNVHYSLBKY-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC001197802819 1101670290 /nfs/dbraw/zinc/67/02/90/1101670290.db2.gz XGZTVHNMGFHPAX-GOSISDBHSA-N 0 3 312.457 3.128 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC001197825107 1101684534 /nfs/dbraw/zinc/68/45/34/1101684534.db2.gz YGCGCSWKHYXISY-UHFFFAOYSA-N 0 3 304.434 3.265 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC001197951419 1101713438 /nfs/dbraw/zinc/71/34/38/1101713438.db2.gz SNWZBVNEXGFUFX-UHFFFAOYSA-N 0 3 320.399 3.466 20 30 DGEDHN Cc1cccc(C)c1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001198340264 1101825586 /nfs/dbraw/zinc/82/55/86/1101825586.db2.gz LMPHHPQRLVMEPR-CYBMUJFWSA-N 0 3 318.467 3.274 20 30 DGEDHN C=CCO[C@@H](C)C(=O)N1CCCN(CCCCCCC)CC1 ZINC001198343525 1101828047 /nfs/dbraw/zinc/82/80/47/1101828047.db2.gz LLCLQZZDMWZLKF-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H](CCC=C)c2ccccc2)CC1 ZINC001198423578 1101850006 /nfs/dbraw/zinc/85/00/06/1101850006.db2.gz QGKXNGAGZJJEBH-FQEVSTJZSA-N 0 3 324.468 3.294 20 30 DGEDHN C=CCCCN(CC)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC001198458417 1101863304 /nfs/dbraw/zinc/86/33/04/1101863304.db2.gz SCFFJUOLQXDEQW-CQSZACIVSA-N 0 3 324.415 3.300 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)CC(C)C)c1ccccc1OC ZINC001198498725 1101878206 /nfs/dbraw/zinc/87/82/06/1101878206.db2.gz AXJIAYNIYCTULM-KRWDZBQOSA-N 0 3 318.461 3.454 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152454308 1101885844 /nfs/dbraw/zinc/88/58/44/1101885844.db2.gz AMILDCSTUNARCM-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCC(C)C)c1ccccc1OC ZINC001198606261 1101924836 /nfs/dbraw/zinc/92/48/36/1101924836.db2.gz PONUMDIEQZANIA-INIZCTEOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@H](C)CCC)c1ccccc1OC ZINC001198615810 1101929313 /nfs/dbraw/zinc/92/93/13/1101929313.db2.gz BZXMFBZGZGMQLS-NVXWUHKLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198743355 1101966288 /nfs/dbraw/zinc/96/62/88/1101966288.db2.gz XNUAXXCULXYRGS-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198705500 1101967921 /nfs/dbraw/zinc/96/79/21/1101967921.db2.gz JQORAOFRWLGNLR-PMACEKPBSA-N 0 3 322.408 3.055 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198856384 1102004124 /nfs/dbraw/zinc/00/41/24/1102004124.db2.gz HLTROUGMSFSUIC-WBVHZDCISA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCCC(=O)NC[C@H](NCC1CC1)c1ccccc1OC ZINC001198876816 1102020705 /nfs/dbraw/zinc/02/07/05/1102020705.db2.gz YAKNYWNKWWJGLT-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001110531588 1102121336 /nfs/dbraw/zinc/12/13/36/1102121336.db2.gz GCMIMDVNRJEFKK-QRVBRYPASA-N 0 3 324.468 3.000 20 30 DGEDHN Cc1cc(C#N)ccc1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001242472816 1102152551 /nfs/dbraw/zinc/15/25/51/1102152551.db2.gz JHJJPDBVHQIBFB-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN Cc1cc(C#N)ccc1-c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC001242473161 1102152898 /nfs/dbraw/zinc/15/28/98/1102152898.db2.gz TZTOIBWWVQSOAD-UHFFFAOYSA-N 0 3 320.440 3.459 20 30 DGEDHN CCc1ncccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242522403 1102185300 /nfs/dbraw/zinc/18/53/00/1102185300.db2.gz ZPWWXRLXTSLSOA-ZDUSSCGKSA-N 0 3 324.384 3.050 20 30 DGEDHN C=CCCC(=O)N1CCC(NCc2oc(C(C)C)nc2C)CC1 ZINC001199726078 1102194038 /nfs/dbraw/zinc/19/40/38/1102194038.db2.gz OGUKCRZXKWOTFH-UHFFFAOYSA-N 0 3 319.449 3.153 20 30 DGEDHN N#Cc1cc(Cl)cc(-c2cncc([C@@H]3CN4CCC3CC4)n2)c1 ZINC001242568685 1102215698 /nfs/dbraw/zinc/21/56/98/1102215698.db2.gz BTFZZCVBFGPRDI-MRXNPFEDSA-N 0 3 324.815 3.478 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@]23CCN(CC=C(C)C)C3=O)c1 ZINC001273792179 1102230035 /nfs/dbraw/zinc/23/00/35/1102230035.db2.gz KHQFDYYBXCJSBP-OAQYLSRUSA-N 0 3 322.452 3.201 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001278354277 1102395531 /nfs/dbraw/zinc/39/55/31/1102395531.db2.gz BBDOETSYBISYIE-OCCSQVGLSA-N 0 3 308.372 3.010 20 30 DGEDHN N#CC1(c2ccc(-c3ccc4c(c3)COC43CNC3)cc2)CC1 ZINC001243423891 1102714832 /nfs/dbraw/zinc/71/48/32/1102714832.db2.gz HIDROUXLTDVVPM-UHFFFAOYSA-N 0 3 302.377 3.237 20 30 DGEDHN C=CCCCC(=O)N1CCC(NCc2nc(C)sc2C)CC1 ZINC001202267241 1102905585 /nfs/dbraw/zinc/90/55/85/1102905585.db2.gz ZHEPBUIELCBYLS-UHFFFAOYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001278369812 1102937197 /nfs/dbraw/zinc/93/71/97/1102937197.db2.gz ZNCZVLOHFFIYLC-GOSISDBHSA-N 0 3 304.409 3.203 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C/c2ccco2)C12CCC2 ZINC001202355501 1102956013 /nfs/dbraw/zinc/95/60/13/1102956013.db2.gz ZPGKDMLWEFHFEV-MUHKLVGJSA-N 0 3 320.820 3.062 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1csc(C)c1 ZINC001273943062 1102956673 /nfs/dbraw/zinc/95/66/73/1102956673.db2.gz UMXNVOJPKADZNF-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN N#C[C@@H]1CC=C(c2cccc3cc([C@H]4CNCCO4)cn32)CC1 ZINC001243795709 1102982366 /nfs/dbraw/zinc/98/23/66/1102982366.db2.gz UJCDSMLFJSTSEV-AUUYWEPGSA-N 0 3 307.397 3.307 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1ccccc1C)C2 ZINC001111101672 1103045627 /nfs/dbraw/zinc/04/56/27/1103045627.db2.gz ZWBNQHOIELUVOR-CUDHKJQZSA-N 0 3 324.468 3.233 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCCCC)C2 ZINC001111108642 1103047541 /nfs/dbraw/zinc/04/75/41/1103047541.db2.gz QPPMSUPQGZQIEC-TVFCKZIOSA-N 0 3 304.478 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C1CCCCC1)C2 ZINC001111135191 1103052970 /nfs/dbraw/zinc/05/29/70/1103052970.db2.gz FWXYBFBJDVVEAL-AITUJVMLSA-N 0 3 316.489 3.338 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001488646418 1103084132 /nfs/dbraw/zinc/08/41/32/1103084132.db2.gz CFQRIJVVTJDOOX-ZIAGYGMSSA-N 0 3 314.420 3.167 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oncc1C)C2 ZINC001111222046 1103097450 /nfs/dbraw/zinc/09/74/50/1103097450.db2.gz MUQAHANVRQGRNO-OAGGEKHMSA-N 0 3 319.449 3.289 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C=C(CC)CC ZINC001325691034 1103102644 /nfs/dbraw/zinc/10/26/44/1103102644.db2.gz YGYYKSHAJJQNFW-UHFFFAOYSA-N 0 3 312.457 3.375 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001325740294 1103111642 /nfs/dbraw/zinc/11/16/42/1103111642.db2.gz GZIVPNCCFYEEJW-CALCHBBNSA-N 0 3 316.420 3.072 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC ZINC001111313801 1103205381 /nfs/dbraw/zinc/20/53/81/1103205381.db2.gz VYYKEKYZSXIFOK-ZACQAIPSSA-N 0 3 310.482 3.105 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001488976532 1103227416 /nfs/dbraw/zinc/22/74/16/1103227416.db2.gz WSCSIMNZIKEOOZ-QGEBHBTGSA-N 0 3 314.473 3.235 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)(C)CC)C2)CC1 ZINC001488973733 1103227943 /nfs/dbraw/zinc/22/79/43/1103227943.db2.gz FVJOQIAPKWLXDL-INIZCTEOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)C(C)(C)F ZINC001489059460 1103255307 /nfs/dbraw/zinc/25/53/07/1103255307.db2.gz RZZARYKAEYWHME-TZMCWYRMSA-N 0 3 318.864 3.484 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C[C@H](C)SC ZINC001326449470 1103321463 /nfs/dbraw/zinc/32/14/63/1103321463.db2.gz MIUZHBGYJFCTKD-HNNXBMFYSA-N 0 3 320.502 3.452 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)CCC(F)F ZINC001326459153 1103324491 /nfs/dbraw/zinc/32/44/91/1103324491.db2.gz XQUJHASTQQQBTK-UHFFFAOYSA-N 0 3 310.388 3.356 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC(C)(C)CC)cc1 ZINC001326468416 1103328385 /nfs/dbraw/zinc/32/83/85/1103328385.db2.gz MDRZXSUWTLQHCU-OAHLLOKOSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCc2ccns2)C1 ZINC001489237676 1103336763 /nfs/dbraw/zinc/33/67/63/1103336763.db2.gz AJJOYALYXQNENP-OAHLLOKOSA-N 0 3 321.490 3.360 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(F)cc2C)cc1 ZINC001326489428 1103337723 /nfs/dbraw/zinc/33/77/23/1103337723.db2.gz HZILNYLEFSGVKG-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN N#Cc1cccc(NC(=O)CCNCc2cc3ccccc3o2)c1 ZINC001326584996 1103376267 /nfs/dbraw/zinc/37/62/67/1103376267.db2.gz UWJNVPUVJXBQHU-UHFFFAOYSA-N 0 3 319.364 3.423 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C3(C)CC=CC3)cccc2C1 ZINC001326674062 1103404615 /nfs/dbraw/zinc/40/46/15/1103404615.db2.gz HTHFTINFBKDQEC-UHFFFAOYSA-N 0 3 322.452 3.041 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1cnc(C)s1 ZINC001326735996 1103423355 /nfs/dbraw/zinc/42/33/55/1103423355.db2.gz CGXWMSUFHHGTIF-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN CC/C=C(\C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001326787315 1103443406 /nfs/dbraw/zinc/44/34/06/1103443406.db2.gz YWCMMCOWKCQRGK-WLRTZDKTSA-N 0 3 317.458 3.105 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc3c2CCCCC3)CCC1 ZINC001326845982 1103460999 /nfs/dbraw/zinc/46/09/99/1103460999.db2.gz YLCXGZWHUYJCJA-UHFFFAOYSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@H](C)c2ccc(CC)cc2)CCC1 ZINC001326889416 1103470982 /nfs/dbraw/zinc/47/09/82/1103470982.db2.gz KJEDUJZNMZBZIN-INIZCTEOSA-N 0 3 312.457 3.004 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc(C(C)(C)C)c2)CCC1 ZINC001326903838 1103475950 /nfs/dbraw/zinc/47/59/50/1103475950.db2.gz VWEKTHHHKCKATO-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001327173231 1103566934 /nfs/dbraw/zinc/56/69/34/1103566934.db2.gz OQKDBTWDEGIHMZ-CYXJOQHWSA-N 0 3 324.468 3.392 20 30 DGEDHN C#CCN(CCCNC(=O)c1coc2ccc(CC)cc12)C1CC1 ZINC001490372595 1103580600 /nfs/dbraw/zinc/58/06/00/1103580600.db2.gz TXYNRJKGLXMNLD-UHFFFAOYSA-N 0 3 324.424 3.213 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@H](CC)C1CCC(C)CC1 ZINC001327212794 1103587544 /nfs/dbraw/zinc/58/75/44/1103587544.db2.gz INUUKNUENKSYCY-DAWZGUTISA-N 0 3 306.494 3.252 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc(C(C)C)oc1C)C1CC1 ZINC001490390699 1103589050 /nfs/dbraw/zinc/58/90/50/1103589050.db2.gz YIAASWRMAWVKDS-UHFFFAOYSA-N 0 3 316.445 3.319 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CCN(CCOCC2CCC2)CC1 ZINC001490410066 1103613951 /nfs/dbraw/zinc/61/39/51/1103613951.db2.gz XWCLNHRTBUZAJE-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC001327291878 1103616239 /nfs/dbraw/zinc/61/62/39/1103616239.db2.gz UCKPNFTUEFXIPV-INIZCTEOSA-N 0 3 300.446 3.227 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C/C=C(/C)C=C)C1 ZINC001327309605 1103620710 /nfs/dbraw/zinc/62/07/10/1103620710.db2.gz WIJPHIBJYCTOSK-XLTVWXTISA-N 0 3 314.473 3.235 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC1CCCC1)C(C)C ZINC001114915189 1103630893 /nfs/dbraw/zinc/63/08/93/1103630893.db2.gz HDVUFYHBEVUPJB-BDXSIMOUSA-N 0 3 304.478 3.071 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccc(C)cc2C)C1 ZINC001490553736 1103650873 /nfs/dbraw/zinc/65/08/73/1103650873.db2.gz XREXLCUYAMNNML-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001327515101 1103669078 /nfs/dbraw/zinc/66/90/78/1103669078.db2.gz YTOVOFMMRKHSFV-HXUWFJFHSA-N 0 3 324.468 3.133 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001490645759 1103674923 /nfs/dbraw/zinc/67/49/23/1103674923.db2.gz XAHBIBKWXUKPFG-LRDDRELGSA-N 0 3 319.474 3.040 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC001490603428 1103676763 /nfs/dbraw/zinc/67/67/63/1103676763.db2.gz DHJKGEQERQJTPW-IEBWSBKVSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)cc1C)C2 ZINC001095960579 1103713644 /nfs/dbraw/zinc/71/36/44/1103713644.db2.gz PLSVDQARPNKRMK-PVAVHDDUSA-N 0 3 316.832 3.007 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CSC(C)C ZINC001490784296 1103743745 /nfs/dbraw/zinc/74/37/45/1103743745.db2.gz ZJEKMYXMNRUPRB-HRCADAONSA-N 0 3 310.507 3.158 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001490790227 1103745922 /nfs/dbraw/zinc/74/59/22/1103745922.db2.gz FVRHGKJDSPCCQR-YUELXQCFSA-N 0 3 312.404 3.062 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(F)(F)CC1)C2 ZINC001096066433 1103748087 /nfs/dbraw/zinc/74/80/87/1103748087.db2.gz IOQLFZAQSMZLSD-ILXRZTDVSA-N 0 3 312.404 3.110 20 30 DGEDHN C[C@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001327923142 1103766989 /nfs/dbraw/zinc/76/69/89/1103766989.db2.gz GQSLDPIGSNMLTC-PKOBYXMFSA-N 0 3 324.468 3.055 20 30 DGEDHN CC[C@H](C)N[C@H](CNC(=O)c1csc(C#N)c1)c1ccco1 ZINC001328001359 1103798435 /nfs/dbraw/zinc/79/84/35/1103798435.db2.gz UNRYJMOGQREHCV-SMDDNHRTSA-N 0 3 317.414 3.072 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)C2 ZINC001096348336 1103805125 /nfs/dbraw/zinc/80/51/25/1103805125.db2.gz KSVLIDVJXNFWRW-MHORFTMASA-N 0 3 316.489 3.338 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001096410230 1103823403 /nfs/dbraw/zinc/82/34/03/1103823403.db2.gz NTKOBXDBHBCYQJ-MNEFBYGVSA-N 0 3 323.440 3.008 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ccccc3c1)C2 ZINC001096411854 1103824279 /nfs/dbraw/zinc/82/42/79/1103824279.db2.gz DQAJFYISHSDNRR-AABGKKOBSA-N 0 3 318.420 3.198 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCCC3)C2 ZINC001096480582 1103843145 /nfs/dbraw/zinc/84/31/45/1103843145.db2.gz ISZBGPULWWQSQK-AABGKKOBSA-N 0 3 324.468 3.477 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001328240726 1103883663 /nfs/dbraw/zinc/88/36/63/1103883663.db2.gz JMBCRIDRFLKJJO-RHSMWYFYSA-N 0 3 304.409 3.261 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCCCC)C2 ZINC001111437614 1103939437 /nfs/dbraw/zinc/93/94/37/1103939437.db2.gz LAAGREINHPZAAN-ZACQAIPSSA-N 0 3 304.478 3.338 20 30 DGEDHN O=C(C1CCCC1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001328588776 1103992353 /nfs/dbraw/zinc/99/23/53/1103992353.db2.gz KQANTVLZSYFBRA-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN N#Cc1ccc2c(c1)nccc2C1=CC[C@H](N2CCOCC2)CC1 ZINC001245422843 1104043660 /nfs/dbraw/zinc/04/36/60/1104043660.db2.gz DPLQGCTVTSMQRQ-KRWDZBQOSA-N 0 3 319.408 3.375 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1sccc1Br ZINC001328788840 1104072264 /nfs/dbraw/zinc/07/22/64/1104072264.db2.gz HXVABVDQMAUOSJ-JTQLQIEISA-N 0 3 302.237 3.029 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001328997858 1104118991 /nfs/dbraw/zinc/11/89/91/1104118991.db2.gz SKDWJVWHUBVDAW-GJZGRUSLSA-N 0 3 318.848 3.141 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cn(C(C)C)nc1C ZINC001329050692 1104136934 /nfs/dbraw/zinc/13/69/34/1104136934.db2.gz ULWWYLADONJPSQ-LSDHHAIUSA-N 0 3 320.481 3.112 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202727335 1104144221 /nfs/dbraw/zinc/14/42/21/1104144221.db2.gz XZPRIUUYEILIAH-XLLPMFPPSA-N 0 3 322.452 3.021 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202727333 1104144237 /nfs/dbraw/zinc/14/42/37/1104144237.db2.gz XZPRIUUYEILIAH-RRJGLFJVSA-N 0 3 322.452 3.021 20 30 DGEDHN COc1ccc(CN2CCC[C@@](O)(c3ccccc3)C2)cc1C#N ZINC001329160581 1104174416 /nfs/dbraw/zinc/17/44/16/1104174416.db2.gz HBNVBGOAPFWFJR-FQEVSTJZSA-N 0 3 322.408 3.050 20 30 DGEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)CC(C)C ZINC001329266023 1104204981 /nfs/dbraw/zinc/20/49/81/1104204981.db2.gz KISJKGOHFFDRFP-UHFFFAOYSA-N 0 3 319.287 3.015 20 30 DGEDHN C=C[C@H](COC)NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001329349743 1104226629 /nfs/dbraw/zinc/22/66/29/1104226629.db2.gz OAUPHDJHTCLYDJ-MRXNPFEDSA-N 0 3 320.433 3.002 20 30 DGEDHN CCc1ccccc1CN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001329433877 1104264361 /nfs/dbraw/zinc/26/43/61/1104264361.db2.gz YWBFTFPYRBMLBX-INIZCTEOSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCc2ccc(C)cc2)C1 ZINC001278420239 1104274026 /nfs/dbraw/zinc/27/40/26/1104274026.db2.gz LBTYIOLKNSLEHW-HXUWFJFHSA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cs1)C2 ZINC001095394084 1104298009 /nfs/dbraw/zinc/29/80/09/1104298009.db2.gz XOSPLYIGGISDOK-ILXRZTDVSA-N 0 3 304.459 3.358 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001329538317 1104307182 /nfs/dbraw/zinc/30/71/82/1104307182.db2.gz BMRLQGCGVMTGPF-KSSFIOAISA-N 0 3 306.425 3.365 20 30 DGEDHN CN(C)C[C@@H](NC(=S)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001245934487 1104321652 /nfs/dbraw/zinc/32/16/52/1104321652.db2.gz BCVCLOFHUQUJTE-QGZVFWFLSA-N 0 3 324.453 3.148 20 30 DGEDHN CN(C)[C@@H](CNC(=S)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001245934646 1104321790 /nfs/dbraw/zinc/32/17/90/1104321790.db2.gz GAGXCNQZKURHOX-KRWDZBQOSA-N 0 3 324.453 3.148 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001274425138 1104380692 /nfs/dbraw/zinc/38/06/92/1104380692.db2.gz KJTOIVSQIUNLAL-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc2occc21 ZINC001274627425 1104425894 /nfs/dbraw/zinc/42/58/94/1104425894.db2.gz XIIURBQKQVTFGQ-HXUWFJFHSA-N 0 3 322.408 3.023 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc2occc21 ZINC001274627422 1104426177 /nfs/dbraw/zinc/42/61/77/1104426177.db2.gz XIIURBQKQVTFGQ-FQEVSTJZSA-N 0 3 322.408 3.023 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001274643685 1104434229 /nfs/dbraw/zinc/43/42/29/1104434229.db2.gz LARKPLSZPFWVSL-SJLPKXTDSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001329951487 1104435374 /nfs/dbraw/zinc/43/53/74/1104435374.db2.gz HEPZPMNCTYDZPM-ROUUACIJSA-N 0 3 318.436 3.114 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001330087439 1104476550 /nfs/dbraw/zinc/47/65/50/1104476550.db2.gz ZFIIUDOAAPOKSY-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CN(CC(=C)C)CC2(C)C)CCCCC1 ZINC001330263175 1104525280 /nfs/dbraw/zinc/52/52/80/1104525280.db2.gz PVFLASIXDUQDNV-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001278449819 1104557429 /nfs/dbraw/zinc/55/74/29/1104557429.db2.gz JIFXSMOWRXOOKB-RDTXWAMCSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCCCN1CC2(C1)CN(C(=O)[C@@H]1C=CCC=C1C)C2 ZINC001274975133 1104564367 /nfs/dbraw/zinc/56/43/67/1104564367.db2.gz URUNZVHTLPLLHL-QGZVFWFLSA-N 0 3 300.446 3.009 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001275062906 1104600333 /nfs/dbraw/zinc/60/03/33/1104600333.db2.gz KDNWMRZFUMYRGC-IAGOWNOFSA-N 0 3 300.446 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccccc1CCC ZINC001275121526 1104637141 /nfs/dbraw/zinc/63/71/41/1104637141.db2.gz ONPARUBEWITUGN-KRWDZBQOSA-N 0 3 300.446 3.362 20 30 DGEDHN CCCCCCCCCN1CC2(CCN2CCn2ccnc2)C1 ZINC001275131350 1104640721 /nfs/dbraw/zinc/64/07/21/1104640721.db2.gz BKYBRZVPOYKWFJ-UHFFFAOYSA-N 0 3 318.509 3.394 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001275160140 1104658443 /nfs/dbraw/zinc/65/84/43/1104658443.db2.gz KCDZHLBRTGMUEA-ZCYBBYNQSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(CC)s2)C1 ZINC001275256751 1104694923 /nfs/dbraw/zinc/69/49/23/1104694923.db2.gz FZYBCJGECBSWLZ-UHFFFAOYSA-N 0 3 312.866 3.161 20 30 DGEDHN N#Cc1c(Cl)cccc1CN1CC2(CCN2C2CCCC2)C1 ZINC001275363763 1104737367 /nfs/dbraw/zinc/73/73/67/1104737367.db2.gz YTTRKZLWFRQYKL-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1CC(C)(C)C1 ZINC001275394864 1104745243 /nfs/dbraw/zinc/74/52/43/1104745243.db2.gz SGEDGBRMTNBQMG-NEPJUHHUSA-N 0 3 319.474 3.039 20 30 DGEDHN C[C@@H](NC(=O)C1CC(C)(C)C1)[C@H](C)NCc1ccc(C#N)s1 ZINC001275394866 1104745425 /nfs/dbraw/zinc/74/54/25/1104745425.db2.gz SGEDGBRMTNBQMG-NWDGAFQWSA-N 0 3 319.474 3.039 20 30 DGEDHN Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001275827589 1104923750 /nfs/dbraw/zinc/92/37/50/1104923750.db2.gz JVHBOECLTKRZMC-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001275904803 1104948943 /nfs/dbraw/zinc/94/89/43/1104948943.db2.gz OAQLKMQOBOSSDD-HUUCEWRRSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1c(F)cccc1Cl ZINC001275907802 1104951440 /nfs/dbraw/zinc/95/14/40/1104951440.db2.gz JUNBXCPUGDJVKC-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001276076816 1105009203 /nfs/dbraw/zinc/00/92/03/1105009203.db2.gz TUBJBKBRIVXJBI-QGZVFWFLSA-N 0 3 320.864 3.297 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2 ZINC001095454093 1105013889 /nfs/dbraw/zinc/01/38/89/1105013889.db2.gz RDVYPFDHFKWXDF-WXHSDQCUSA-N 0 3 310.850 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1CCCC3)C2 ZINC001095460483 1105014702 /nfs/dbraw/zinc/01/47/02/1105014702.db2.gz OMFDZQZVFZVZFX-UXPWSPDFSA-N 0 3 324.468 3.477 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1cc2ccccc2o1 ZINC001276161358 1105033976 /nfs/dbraw/zinc/03/39/76/1105033976.db2.gz DKFRPKLSLFCYPB-UHFFFAOYSA-N 0 3 320.820 3.166 20 30 DGEDHN CCCC(=O)NC[C@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC001276277141 1105072240 /nfs/dbraw/zinc/07/22/40/1105072240.db2.gz HMEODFPOFPHSOG-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110897236 1105105682 /nfs/dbraw/zinc/10/56/82/1105105682.db2.gz GNUVPUSWNMNTFJ-KURKYZTESA-N 0 3 312.457 3.429 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC001278505866 1105111985 /nfs/dbraw/zinc/11/19/85/1105111985.db2.gz LZEQWBUUPSSPHO-FUHWJXTLSA-N 0 3 320.477 3.049 20 30 DGEDHN O=C1C=C2CN(Cc3c4ccoc4ccc3F)CCC2S1 ZINC001248528012 1105123384 /nfs/dbraw/zinc/12/33/84/1105123384.db2.gz HBJNXHAOZODSCC-HNNXBMFYSA-N 0 3 303.358 3.346 20 30 DGEDHN CCOC(=O)C[C@@H]1CCCN(Cc2ccc(C#N)cc2CC)C1 ZINC001248748370 1105154482 /nfs/dbraw/zinc/15/44/82/1105154482.db2.gz HKKHVRLTIXTXGK-INIZCTEOSA-N 0 3 314.429 3.286 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CCC(c2nnc(C)o2)CC1 ZINC001248752328 1105155679 /nfs/dbraw/zinc/15/56/79/1105155679.db2.gz HTTXNDQYKUGVPJ-UHFFFAOYSA-N 0 3 310.401 3.192 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(F)c(Cl)c3F)no2)CCCN1 ZINC001249352058 1105272471 /nfs/dbraw/zinc/27/24/71/1105272471.db2.gz UHNTVVWKFLOPRN-OAHLLOKOSA-N 0 3 323.730 3.270 20 30 DGEDHN N#Cc1ccc(Cl)c(NC2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001249558908 1105313804 /nfs/dbraw/zinc/31/38/04/1105313804.db2.gz NGSBNRFJWZHFIZ-HNNXBMFYSA-N 0 3 317.820 3.392 20 30 DGEDHN CCCCCCCNC(=S)N1CCC2SC(=O)C=C2C1 ZINC001249633086 1105337634 /nfs/dbraw/zinc/33/76/34/1105337634.db2.gz QOUJWOQDGYNFCK-ZDUSSCGKSA-N 0 3 312.504 3.105 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C2 ZINC001097102312 1105346701 /nfs/dbraw/zinc/34/67/01/1105346701.db2.gz WVEKJKMBQFKZIL-UTSKFRMZSA-N 0 3 304.478 3.356 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(Cl)c1C)C2 ZINC001097120303 1105350887 /nfs/dbraw/zinc/35/08/87/1105350887.db2.gz FFGAQRTVWGJQBL-XYPHTWIQSA-N 0 3 316.832 3.007 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2cccc(C#N)c2F)CC1 ZINC001249679740 1105353098 /nfs/dbraw/zinc/35/30/98/1105353098.db2.gz DJIAUXUPWFSCHS-UHFFFAOYSA-N 0 3 324.403 3.140 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001278542917 1105402811 /nfs/dbraw/zinc/40/28/11/1105402811.db2.gz WSBWHRIQWVKSQJ-GLNPCMGASA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccc(C)cc3[nH]1)C2 ZINC001097595072 1105410817 /nfs/dbraw/zinc/41/08/17/1105410817.db2.gz YMJVEVVUTKAVQR-SUMDDJOVSA-N 0 3 323.440 3.388 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cc(C)ccc3[nH]1)C2 ZINC001097623396 1105414731 /nfs/dbraw/zinc/41/47/31/1105414731.db2.gz RYFCCKZGLFLHMX-SUMDDJOVSA-N 0 3 323.440 3.388 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2cccc(Br)c2)C1 ZINC001254648283 1105467446 /nfs/dbraw/zinc/46/74/46/1105467446.db2.gz HGBBTUKJEHBTPG-KCPJHIHWSA-N 0 3 323.234 3.154 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCc3ccccc31)C2 ZINC001098077032 1105545445 /nfs/dbraw/zinc/54/54/45/1105545445.db2.gz HSOMPPMKQWRIOB-LFGUQSLTSA-N 0 3 324.468 3.404 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001490903917 1105554511 /nfs/dbraw/zinc/55/45/11/1105554511.db2.gz OTNPYRXEGHKLQX-QIGJXJNASA-N 0 3 322.811 3.218 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001098266799 1105565358 /nfs/dbraw/zinc/56/53/58/1105565358.db2.gz NTKOBXDBHBCYQJ-LZQZEXGQSA-N 0 3 323.440 3.008 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccc(C)cc13)C2 ZINC001098471649 1105577917 /nfs/dbraw/zinc/57/79/17/1105577917.db2.gz UUVOXKWXKWQKNX-ZMYBRWDISA-N 0 3 323.440 3.388 20 30 DGEDHN CC(C)c1ccc(OC[C@@H](O)CN2CCC[C@H](C#N)CC2)cc1 ZINC001250758101 1105578276 /nfs/dbraw/zinc/57/82/76/1105578276.db2.gz IQUDLGAXCUNQID-WMZOPIPTSA-N 0 3 316.445 3.175 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1cccc(F)c1 ZINC001250808046 1105587075 /nfs/dbraw/zinc/58/70/75/1105587075.db2.gz IIFSONRJDGCPJR-GOSISDBHSA-N 0 3 315.388 3.254 20 30 DGEDHN C=C[C@@H](NC[C@@H](O)COc1ccc(F)cc1F)c1ccccc1 ZINC001250888238 1105600002 /nfs/dbraw/zinc/60/00/02/1105600002.db2.gz LPLYENWDMNCELH-NVXWUHKLSA-N 0 3 319.351 3.221 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001098837670 1105607933 /nfs/dbraw/zinc/60/79/33/1105607933.db2.gz SIBRDCPQEMFKNP-BXWFABGCSA-N 0 3 302.462 3.114 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC(C)C ZINC001098965880 1105619458 /nfs/dbraw/zinc/61/94/58/1105619458.db2.gz CGFWEJUNLLUQER-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOCCCC ZINC001098966124 1105620357 /nfs/dbraw/zinc/62/03/57/1105620357.db2.gz HJHSJHMTJFIXCI-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001099067000 1105637899 /nfs/dbraw/zinc/63/78/99/1105637899.db2.gz LZTVDDAFSIQLDX-LRDDRELGSA-N 0 3 324.877 3.101 20 30 DGEDHN CC1(C)CC[C@H](CNC(=O)C#CC2CC2)N(Cc2ccccc2)C1 ZINC001099065441 1105638117 /nfs/dbraw/zinc/63/81/17/1105638117.db2.gz SYBKODNCDSRREG-LJQANCHMSA-N 0 3 324.468 3.207 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001099085265 1105640295 /nfs/dbraw/zinc/64/02/95/1105640295.db2.gz MJCLYXVRFFHFPI-FXAWDEMLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001099119256 1105644068 /nfs/dbraw/zinc/64/40/68/1105644068.db2.gz LIFWFKKYHIUCLC-VKJFTORMSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099189770 1105655864 /nfs/dbraw/zinc/65/58/64/1105655864.db2.gz WNUYNRCOYDGZJZ-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCC=C)CC1 ZINC001099214234 1105657433 /nfs/dbraw/zinc/65/74/33/1105657433.db2.gz IQCJNAOAZVCKHP-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001099230597 1105660541 /nfs/dbraw/zinc/66/05/41/1105660541.db2.gz WCEYCZSHDPZWLD-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(F)CCCCC1 ZINC001099297470 1105665666 /nfs/dbraw/zinc/66/56/66/1105665666.db2.gz HVLWTVSNOPXLRG-INIZCTEOSA-N 0 3 322.468 3.289 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCC(C)(C)CN1CC=C ZINC001099324130 1105668726 /nfs/dbraw/zinc/66/87/26/1105668726.db2.gz HKDKLFWFVAMHJO-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccc(C)s1 ZINC001099354431 1105672502 /nfs/dbraw/zinc/67/25/02/1105672502.db2.gz SGPYEANBAOPKBZ-OAHLLOKOSA-N 0 3 320.502 3.392 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCCC ZINC001099402087 1105676612 /nfs/dbraw/zinc/67/66/12/1105676612.db2.gz PVTFGMZXUZDGQQ-HZMVEIRTSA-N 0 3 324.896 3.488 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC ZINC001099418876 1105677844 /nfs/dbraw/zinc/67/78/44/1105677844.db2.gz OFHIONXWEXOHMO-FZKCQIBNSA-N 0 3 310.869 3.098 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C=C(/C)CC ZINC001099475857 1105684169 /nfs/dbraw/zinc/68/41/69/1105684169.db2.gz YVWDBTCJEASAIP-PFKVEOESSA-N 0 3 322.880 3.264 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CCCC1)C2 ZINC001111476079 1105706670 /nfs/dbraw/zinc/70/66/70/1105706670.db2.gz QXWDDMHHOFDCDV-KURKYZTESA-N 0 3 302.462 3.092 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCCN(C[C@H](O)c2ccccc2)C1 ZINC001251991592 1105720162 /nfs/dbraw/zinc/72/01/62/1105720162.db2.gz XRGBRRXVFKGATM-MOPGFXCFSA-N 0 3 322.408 3.135 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001490962388 1105726919 /nfs/dbraw/zinc/72/69/19/1105726919.db2.gz WFJWOJMGTNMVIA-KKUMJFAQSA-N 0 3 300.874 3.438 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001491001445 1105734039 /nfs/dbraw/zinc/73/40/39/1105734039.db2.gz WBJRVFXQRFXDJK-OKILXGFUSA-N 0 3 310.800 3.182 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001491044011 1105741077 /nfs/dbraw/zinc/74/10/77/1105741077.db2.gz QNPFXNZPHOGPID-BETUJISGSA-N 0 3 324.827 3.428 20 30 DGEDHN O=C(C[C@H]1CC=CCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491044516 1105741809 /nfs/dbraw/zinc/74/18/09/1105741809.db2.gz ZBYPNWVGTRGGHL-SLFFLAALSA-N 0 3 322.452 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001491209362 1105776556 /nfs/dbraw/zinc/77/65/56/1105776556.db2.gz CHTCGJNFVXCYNY-ZIAGYGMSSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCOC[C@@H](O)CNC(c1cccs1)c1cccs1 ZINC001252497940 1105784832 /nfs/dbraw/zinc/78/48/32/1105784832.db2.gz CBUSXKDCMDEXJG-LBPRGKRZSA-N 0 3 309.456 3.052 20 30 DGEDHN CC[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001491263078 1105790386 /nfs/dbraw/zinc/79/03/86/1105790386.db2.gz CMOGVOPWHRLDCF-HSALFYBXSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C[C@](C)(O)CN[C@H](C)c1ccc(Br)cc1F ZINC001252577635 1105796533 /nfs/dbraw/zinc/79/65/33/1105796533.db2.gz LRRYKHMOOGCBLH-RNCFNFMXSA-N 0 3 302.187 3.176 20 30 DGEDHN C=C[C@](C)(O)CNCc1cccc(Br)c1Cl ZINC001252582340 1105797486 /nfs/dbraw/zinc/79/74/86/1105797486.db2.gz PPDXZABDJFPWNT-LBPRGKRZSA-N 0 3 304.615 3.129 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H]2CCCN(CC#CC)C2)CCCC1 ZINC001491300969 1105803583 /nfs/dbraw/zinc/80/35/83/1105803583.db2.gz WVRMIEDMPCOUFU-QZTJIDSGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCC[C@H](O)CNCc1cc(OC(F)(F)F)ccc1OC ZINC001252617043 1105805240 /nfs/dbraw/zinc/80/52/40/1105805240.db2.gz XVCFHBLIAFDBER-LBPRGKRZSA-N 0 3 319.323 3.011 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001252621939 1105806253 /nfs/dbraw/zinc/80/62/53/1105806253.db2.gz KQBFMRRZCSIDMM-DZGCQCFKSA-N 0 3 314.351 3.468 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001100887825 1105861224 /nfs/dbraw/zinc/86/12/24/1105861224.db2.gz SZHAYIFHAJYROZ-SHARSMKWSA-N 0 3 300.874 3.296 20 30 DGEDHN CCCCCCCCCC[C@@H](O)CNCC(=O)NC1CCC1 ZINC001252990583 1105869198 /nfs/dbraw/zinc/86/91/98/1105869198.db2.gz ZLVHHDWICNPFRQ-QGZVFWFLSA-N 0 3 312.498 3.136 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC[C@H](C)CC)C[C@]2(C)C1 ZINC001101250804 1105903197 /nfs/dbraw/zinc/90/31/97/1105903197.db2.gz MWYNEDIVNZZGDH-GGPKGHCWSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC001101306169 1105907194 /nfs/dbraw/zinc/90/71/94/1105907194.db2.gz CQYJJILZPMXXLI-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@@H]1Cc2ccccc2NC1=O ZINC001253247851 1105911087 /nfs/dbraw/zinc/91/10/87/1105911087.db2.gz MWPINQQEKQDFHG-FUHWJXTLSA-N 0 3 316.445 3.027 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(OC)c(OC)n1 ZINC001253255015 1105912667 /nfs/dbraw/zinc/91/26/67/1105912667.db2.gz GHVDVQHAIBBVFB-MRXNPFEDSA-N 0 3 322.449 3.076 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1ncn2ccccc12 ZINC001253255182 1105912973 /nfs/dbraw/zinc/91/29/73/1105912973.db2.gz XGCMUBQRLFGQFX-INIZCTEOSA-N 0 3 301.434 3.311 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](F)CCCCCC)C[C@]2(C)C1 ZINC001101430206 1105919443 /nfs/dbraw/zinc/91/94/43/1105919443.db2.gz UIASVJQPYZLFLE-LMMKCTJWSA-N 0 3 322.468 3.099 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C(CC(C)C)CC(C)C)C[C@]2(C)C1 ZINC001101480268 1105921534 /nfs/dbraw/zinc/92/15/34/1105921534.db2.gz IYFFOMBNULJYDM-QUCCMNQESA-N 0 3 318.505 3.108 20 30 DGEDHN N#Cc1ccc(C2(NC[C@@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC001253381327 1105932592 /nfs/dbraw/zinc/93/25/92/1105932592.db2.gz WSEJYZUSWOWBQM-QGZVFWFLSA-N 0 3 314.335 3.149 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(Sc3ccccc3)CC2)CC1 ZINC001253489860 1105945855 /nfs/dbraw/zinc/94/58/55/1105945855.db2.gz CAUPKLZVHYYPAV-UHFFFAOYSA-N 0 3 316.470 3.078 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2Cc3ccc(Br)cc3C2)o1 ZINC001254274357 1106047344 /nfs/dbraw/zinc/04/73/44/1106047344.db2.gz WPIYORVNYUVPQI-CYBMUJFWSA-N 0 3 317.186 3.171 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)CCC1 ZINC001102333298 1106050052 /nfs/dbraw/zinc/05/00/52/1106050052.db2.gz OWQRZIJWEDJCKV-BKILABGBSA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cccc(F)c2)C1 ZINC001102645426 1106087230 /nfs/dbraw/zinc/08/72/30/1106087230.db2.gz OUYLLEPRHSJBNG-IUODEOHRSA-N 0 3 324.827 3.266 20 30 DGEDHN N#CC1(CNC2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC001254608880 1106112219 /nfs/dbraw/zinc/11/22/19/1106112219.db2.gz DBQGUWMCEWBIEZ-UHFFFAOYSA-N 0 3 301.409 3.468 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccc(OC3CCOCC3)c(F)c2)C1 ZINC001254642154 1106120031 /nfs/dbraw/zinc/12/00/31/1106120031.db2.gz DBKWMJVBALGTBS-ZFWWWQNUSA-N 0 3 318.392 3.165 20 30 DGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254661422 1106126598 /nfs/dbraw/zinc/12/65/98/1106126598.db2.gz SVWQSPRMSYLYNF-RBSFLKMASA-N 0 3 307.438 3.010 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CCN([C@@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC001254660607 1106126836 /nfs/dbraw/zinc/12/68/36/1106126836.db2.gz YVASPIWIDPTCQT-ZJIFWQFVSA-N 0 3 319.449 3.010 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3cccc(Cl)n3)CC2)C1 ZINC001254672485 1106130850 /nfs/dbraw/zinc/13/08/50/1106130850.db2.gz BVQIBQHBKFQSDG-CHWSQXEVSA-N 0 3 305.809 3.270 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001254785718 1106142064 /nfs/dbraw/zinc/14/20/64/1106142064.db2.gz LBFCCZQBYHBULW-PBHICJAKSA-N 0 3 319.449 3.012 20 30 DGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC001255020264 1106167712 /nfs/dbraw/zinc/16/77/12/1106167712.db2.gz YXASWZPHBWZZQG-HOCLYGCPSA-N 0 3 319.449 3.412 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2cc(F)ccc2F)CC1 ZINC001255160401 1106193983 /nfs/dbraw/zinc/19/39/83/1106193983.db2.gz JKPINTKYULFYAY-HNNXBMFYSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)NCCc1ccc(OCC(F)(F)F)cc1 ZINC001255158293 1106194104 /nfs/dbraw/zinc/19/41/04/1106194104.db2.gz GYWQSJIBCZZPMG-CYBMUJFWSA-N 0 3 300.324 3.452 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001255160530 1106194455 /nfs/dbraw/zinc/19/44/55/1106194455.db2.gz KXUQRGKWQMLDOR-CQSZACIVSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@@H](CC#N)NCC1(Cc2cccc(F)c2)CCOCC1 ZINC001255162115 1106195492 /nfs/dbraw/zinc/19/54/92/1106195492.db2.gz HVZJHSSHEJDPHK-KRWDZBQOSA-N 0 3 304.409 3.447 20 30 DGEDHN C=CCN1CCC[C@@H](N[C@H](C)CSc2ccc(C)cc2)C1=O ZINC001255754204 1106309242 /nfs/dbraw/zinc/30/92/42/1106309242.db2.gz CDXQXYZDZFGJTJ-NVXWUHKLSA-N 0 3 318.486 3.242 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](N2CCC[C@H](CC#N)C2)C1 ZINC001255914260 1106342723 /nfs/dbraw/zinc/34/27/23/1106342723.db2.gz HPJOPZKPMXXCRO-CABCVRRESA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCO[C@H](CCC)C1)C(C)C ZINC001278926310 1106400114 /nfs/dbraw/zinc/40/01/14/1106400114.db2.gz GYTQBOVKVGCDSK-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN CC[C@@H](CC#N)NC1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256663820 1106464846 /nfs/dbraw/zinc/46/48/46/1106464846.db2.gz LJVYTIMZOVUVCN-NFOMZHRRSA-N 0 3 309.454 3.446 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2C1CCC(C#N)CC1 ZINC001256963300 1106516718 /nfs/dbraw/zinc/51/67/18/1106516718.db2.gz FIUSJJSEIKBMND-QDIHITRGSA-N 0 3 319.449 3.152 20 30 DGEDHN N#Cc1ccc(C2CCC(n3[n-]c(=O)c4c3CC[NH2+]C4)CC2)cc1 ZINC001257019717 1106525603 /nfs/dbraw/zinc/52/56/03/1106525603.db2.gz VDCOLISQLPFGAP-UHFFFAOYSA-N 0 3 322.412 3.005 20 30 DGEDHN CC(C)[C@H]1C[C@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257177180 1106549441 /nfs/dbraw/zinc/54/94/41/1106549441.db2.gz XJKXPLLFJNLANN-HUUCEWRRSA-N 0 3 321.465 3.304 20 30 DGEDHN CCCCCCCCCC[C@@H](C)N1CCN(CC(N)=O)CC1 ZINC001257550685 1106604258 /nfs/dbraw/zinc/60/42/58/1106604258.db2.gz QUGFWNDKGSTJQW-QGZVFWFLSA-N 0 3 311.514 3.009 20 30 DGEDHN C[C@@H](CC#N)N[C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257809240 1106630943 /nfs/dbraw/zinc/63/09/43/1106630943.db2.gz ZOOUQKGRNDAKIX-DAYGRLMNSA-N 0 3 321.465 3.448 20 30 DGEDHN CC[C@H](CC#N)NC1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257841084 1106633957 /nfs/dbraw/zinc/63/39/57/1106633957.db2.gz HSDZOKQRPNKRQD-IUOOZAAYSA-N 0 3 321.465 3.304 20 30 DGEDHN CCCCCCC[C@@H](C)N1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001258047658 1106664020 /nfs/dbraw/zinc/66/40/20/1106664020.db2.gz NJSFAOBUSOACEC-MJGOQNOKSA-N 0 3 324.509 3.449 20 30 DGEDHN CCOC(=O)CCC[C@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001258119710 1106677249 /nfs/dbraw/zinc/67/72/49/1106677249.db2.gz JTVSYJLOXWDAPB-AWEZNQCLSA-N 0 3 300.402 3.038 20 30 DGEDHN CC[C@H](F)CN1CCC([C@@H](C)NC(=O)C#CC(C)(C)C)CC1 ZINC001279079384 1106682372 /nfs/dbraw/zinc/68/23/72/1106682372.db2.gz LCKPPKQHKWLART-ZBFHGGJFSA-N 0 3 310.457 3.001 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc2occc2s1)C1CC1 ZINC001316921335 1106765619 /nfs/dbraw/zinc/76/56/19/1106765619.db2.gz BZSOAZOXELLAQN-UHFFFAOYSA-N 0 3 316.426 3.102 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC001320038897 1106809000 /nfs/dbraw/zinc/80/90/00/1106809000.db2.gz WONWUJIOWWKDMZ-FQEVSTJZSA-N 0 3 324.424 3.438 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC001320040137 1106812586 /nfs/dbraw/zinc/81/25/86/1106812586.db2.gz VHSPCHDNCKFGNZ-INIZCTEOSA-N 0 3 313.397 3.187 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001316984741 1106852099 /nfs/dbraw/zinc/85/20/99/1106852099.db2.gz NFBWZZAPWJSURZ-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1oc2ccccc2c1CC ZINC001320091668 1106864806 /nfs/dbraw/zinc/86/48/06/1106864806.db2.gz YPBRLONTCDGQPA-UHFFFAOYSA-N 0 3 312.413 3.022 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2c(C)onc2CC)C1 ZINC001316992942 1106871845 /nfs/dbraw/zinc/87/18/45/1106871845.db2.gz KMAVZZBAAYHMJK-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN N#CCC1(NC2CCN(C(=O)c3ccccc3)CC2)CCCC1 ZINC001258642059 1106876432 /nfs/dbraw/zinc/87/64/32/1106876432.db2.gz QDQDZZGYSYYXRI-UHFFFAOYSA-N 0 3 311.429 3.107 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001317021399 1106910494 /nfs/dbraw/zinc/91/04/94/1106910494.db2.gz ZOJGJENWGWDGSX-GFCCVEGCSA-N 0 3 305.249 3.146 20 30 DGEDHN CCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258708646 1106922910 /nfs/dbraw/zinc/92/29/10/1106922910.db2.gz BQJDDDFUWPOQFR-XIRDDKMYSA-N 0 3 306.450 3.298 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001258727307 1106930844 /nfs/dbraw/zinc/93/08/44/1106930844.db2.gz GOCUMIUCBGFXID-HKUYNNGSSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001258729749 1106935130 /nfs/dbraw/zinc/93/51/30/1106935130.db2.gz XMCYGRJMCQDDAJ-JYJNAYRXSA-N 0 3 324.465 3.051 20 30 DGEDHN C=CCC[C@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001258728418 1106935585 /nfs/dbraw/zinc/93/55/85/1106935585.db2.gz OTFAKRFWFHWGJE-HOTGVXAUSA-N 0 3 304.482 3.455 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)CC(C)(C)C2CCCCC2)C1 ZINC001317067056 1106963238 /nfs/dbraw/zinc/96/32/38/1106963238.db2.gz KVFZIDXMDBMGTQ-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001317074548 1106970940 /nfs/dbraw/zinc/97/09/40/1106970940.db2.gz FUTWBFPCXLEBTL-KKUMJFAQSA-N 0 3 318.848 3.441 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001317098548 1106997199 /nfs/dbraw/zinc/99/71/99/1106997199.db2.gz VJUJPAWDVFLPHK-WZYMTQMTSA-N 0 3 310.457 3.448 20 30 DGEDHN C[C@@H]1CCC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001258829067 1107010880 /nfs/dbraw/zinc/01/08/80/1107010880.db2.gz VUVUQBLVRZNSSZ-GDBMZVCRSA-N 0 3 301.409 3.398 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001317118991 1107013326 /nfs/dbraw/zinc/01/33/26/1107013326.db2.gz FHRYGGJRQAPSQY-RVKKMQEKSA-N 0 3 304.409 3.165 20 30 DGEDHN COc1ccccc1C[C@@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001258878837 1107031148 /nfs/dbraw/zinc/03/11/48/1107031148.db2.gz ACQYANLFALUJAJ-LLVKDONJSA-N 0 3 303.793 3.080 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001317131975 1107032251 /nfs/dbraw/zinc/03/22/51/1107032251.db2.gz VNRXVFPHCUJVAT-GFWYJJLOSA-N 0 3 324.468 3.187 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCN(C[C@@H](F)CC)C2)CCC1 ZINC001317135764 1107039871 /nfs/dbraw/zinc/03/98/71/1107039871.db2.gz QXSUQUFBWKSTDS-CVEARBPZSA-N 0 3 310.457 3.309 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001317140389 1107046609 /nfs/dbraw/zinc/04/66/09/1107046609.db2.gz PRXXETRIJZWFNG-ZWOKBUDYSA-N 0 3 318.505 3.300 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccc(F)c(F)c1 ZINC001317172255 1107083099 /nfs/dbraw/zinc/08/30/99/1107083099.db2.gz BAZOHQKRHLPVOO-OAHLLOKOSA-N 0 3 322.399 3.054 20 30 DGEDHN CC[C@H](C)CC(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001320722136 1107116614 /nfs/dbraw/zinc/11/66/14/1107116614.db2.gz KRWUEBAFPGABCN-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)=C2CCCC2)C1 ZINC001317203379 1107122269 /nfs/dbraw/zinc/12/22/69/1107122269.db2.gz ZBTYWNODKNYSPG-WMZOPIPTSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CCC)CC1 ZINC001317210360 1107131430 /nfs/dbraw/zinc/13/14/30/1107131430.db2.gz XOTGVNFKCCDXRC-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCC(NCc2cnc(C)o2)CC1 ZINC001317220281 1107142049 /nfs/dbraw/zinc/14/20/49/1107142049.db2.gz OWCXTKJIZDTHQA-JMLCCBQJSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CN[C@@H](C)c1cccc(OC)c1 ZINC001321188215 1107279318 /nfs/dbraw/zinc/27/93/18/1107279318.db2.gz GEXJRCGAHISFPL-LZNQSLFOSA-N 0 3 316.445 3.230 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccc(Cl)cc1 ZINC001317413089 1107334496 /nfs/dbraw/zinc/33/44/96/1107334496.db2.gz URKRMKDTXCYJKP-GFCCVEGCSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2ccccc2Cl)C1 ZINC001321637961 1107401560 /nfs/dbraw/zinc/40/15/60/1107401560.db2.gz YNVNLBQHSBSPIA-CYBMUJFWSA-N 0 3 306.837 3.291 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001321686253 1107411808 /nfs/dbraw/zinc/41/18/08/1107411808.db2.gz UZBHFZCHGBRMSD-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)CCc2ccc(Cl)cc2)C1 ZINC001317462335 1107414409 /nfs/dbraw/zinc/41/44/09/1107414409.db2.gz RYJUKYSWNYDPJC-UHFFFAOYSA-N 0 3 320.864 3.287 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001321703616 1107415188 /nfs/dbraw/zinc/41/51/88/1107415188.db2.gz VOLWMUGZYYCYHS-MJGOQNOKSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001317462472 1107415629 /nfs/dbraw/zinc/41/56/29/1107415629.db2.gz CPPIXHWFMNKLEQ-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN2Cc2cccc(C)c2)C1 ZINC001317511331 1107475181 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C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001262007136 1107570275 /nfs/dbraw/zinc/57/02/75/1107570275.db2.gz UVGRULJGSRXCBE-UONOGXRCSA-N 0 3 313.228 3.473 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(OC)c(C)c1 ZINC001322219278 1107575158 /nfs/dbraw/zinc/57/51/58/1107575158.db2.gz UEFDEWARORGPNT-OAHLLOKOSA-N 0 3 318.461 3.152 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001322229848 1107581917 /nfs/dbraw/zinc/58/19/17/1107581917.db2.gz GBUKZWXWAYJMRT-MRXNPFEDSA-N 0 3 314.473 3.468 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC001317721683 1107621160 /nfs/dbraw/zinc/62/11/60/1107621160.db2.gz IZOLNZNRJQEHFV-FQEVSTJZSA-N 0 3 322.452 3.479 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001322307919 1107623587 /nfs/dbraw/zinc/62/35/87/1107623587.db2.gz SVYNKRJHEVPRPU-PBHICJAKSA-N 0 3 306.425 3.188 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC001317726818 1107625033 /nfs/dbraw/zinc/62/50/33/1107625033.db2.gz DDHKTLAQZJPCNZ-YLJYHZDGSA-N 0 3 320.436 3.261 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2cccc(Cl)c2o1 ZINC001322313510 1107629355 /nfs/dbraw/zinc/62/93/55/1107629355.db2.gz JZBMQZOPLRIOSU-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCc2ccco2)C1 ZINC001317749915 1107635037 /nfs/dbraw/zinc/63/50/37/1107635037.db2.gz JPKJVJKTYZXWQK-MRXNPFEDSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)/C=C\C(C)(C)C)C1 ZINC001317754079 1107639323 /nfs/dbraw/zinc/63/93/23/1107639323.db2.gz OMLGZWKEGJEKNB-SECOEOQKSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)/C=C\C(C)(C)C)C1 ZINC001317754077 1107639671 /nfs/dbraw/zinc/63/96/71/1107639671.db2.gz OMLGZWKEGJEKNB-PXAMLJHWSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@H]1CNCc1cc(C)no1 ZINC001322352631 1107645727 /nfs/dbraw/zinc/64/57/27/1107645727.db2.gz BDYAZILHIUAXLP-RDJZCZTQSA-N 0 3 319.449 3.104 20 30 DGEDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@H](O)CC#N ZINC001262236966 1107655409 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C#CCCN1CC(CNC(=O)[C@H](CCC)CC2CCCCC2)C1 ZINC001318160057 1107868301 /nfs/dbraw/zinc/86/83/01/1107868301.db2.gz ZMTUNLGXOMCUNX-LJQANCHMSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(Cc2ccccc2)CC1 ZINC001318201247 1107891089 /nfs/dbraw/zinc/89/10/89/1107891089.db2.gz JBLCOVDRWSGOFR-OALUTQOASA-N 0 3 324.468 3.261 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001323245962 1107902297 /nfs/dbraw/zinc/90/22/97/1107902297.db2.gz JOLJWONQBKOJON-SFHVURJKSA-N 0 3 311.429 3.018 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001323246523 1107902814 /nfs/dbraw/zinc/90/28/14/1107902814.db2.gz NXIUCSXRMVSQJQ-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001323339185 1107943240 /nfs/dbraw/zinc/94/32/40/1107943240.db2.gz FFASWBQKGLYIHT-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001323350608 1107945840 /nfs/dbraw/zinc/94/58/40/1107945840.db2.gz GCWZSYDCJVMPGA-HOTGVXAUSA-N 0 3 303.450 3.228 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC001263124475 1107955596 /nfs/dbraw/zinc/95/55/96/1107955596.db2.gz LUDLATAABSYMEA-IYOUNJFTSA-N 0 3 316.445 3.213 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1C ZINC001323372094 1107956146 /nfs/dbraw/zinc/95/61/46/1107956146.db2.gz QKAPLAMLHFOKDR-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN CC(C)(C(=O)Nc1cccc2c1CNC2)c1ccc(C#N)cc1 ZINC001263185947 1107968744 /nfs/dbraw/zinc/96/87/44/1107968744.db2.gz NOOIRAABMXPDEA-UHFFFAOYSA-N 0 3 305.381 3.078 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC001263198691 1107973074 /nfs/dbraw/zinc/97/30/74/1107973074.db2.gz HJAORBNQZSGXTH-KRWDZBQOSA-N 0 3 317.408 3.118 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCCN1CCC ZINC001318405028 1107984210 /nfs/dbraw/zinc/98/42/10/1107984210.db2.gz YGXSASBNSASQQZ-KRWDZBQOSA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccccc2F)C1 ZINC001318437613 1108003033 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CC#CCCCC(=O)NCCN(CCF)C1CCCCCC1 ZINC001323721429 1108065925 /nfs/dbraw/zinc/06/59/25/1108065925.db2.gz HINIPOWEHZQQRU-UHFFFAOYSA-N 0 3 310.457 3.291 20 30 DGEDHN CC[C@@H](CNC(=O)CC1=CCCCC1)NCC#Cc1ccccc1 ZINC001318506650 1108067219 /nfs/dbraw/zinc/06/72/19/1108067219.db2.gz KYGSNRPICJKNNU-FQEVSTJZSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1cc(C)ns1 ZINC001318527492 1108081015 /nfs/dbraw/zinc/08/10/15/1108081015.db2.gz NHMFMIVDRKVBDD-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCC ZINC001323777306 1108081184 /nfs/dbraw/zinc/08/11/84/1108081184.db2.gz WSYBYSRUUBWOPE-HDICACEKSA-N 0 3 304.478 3.436 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001323812304 1108092236 /nfs/dbraw/zinc/09/22/36/1108092236.db2.gz KKMQHZSXDIGNMM-IEBWSBKVSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](CC)CCCC)C2)C1 ZINC001323858341 1108105520 /nfs/dbraw/zinc/10/55/20/1108105520.db2.gz OVJRGGBCOWDPLD-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](CC)CCCC)C2)C1 ZINC001323858335 1108105724 /nfs/dbraw/zinc/10/57/24/1108105724.db2.gz OVJRGGBCOWDPLD-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001263620456 1108117725 /nfs/dbraw/zinc/11/77/25/1108117725.db2.gz VCQNSLSMHLTIKL-QWRGUYRKSA-N 0 3 317.776 3.352 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(CC)CC)NCC#Cc1ccccc1 ZINC001318603935 1108121298 /nfs/dbraw/zinc/12/12/98/1108121298.db2.gz QCZSHCTUEBCGAV-GOSISDBHSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC001324022592 1108148439 /nfs/dbraw/zinc/14/84/39/1108148439.db2.gz RIRJAMFYJQUEQH-PWSUYJOCSA-N 0 3 314.223 3.309 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2ccns2)CCCC[C@H]1C ZINC001318741675 1108175112 /nfs/dbraw/zinc/17/51/12/1108175112.db2.gz JSYSFSGSWSTVRJ-RHSMWYFYSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2ccns2)CCCC[C@@H]1C ZINC001318741682 1108175806 /nfs/dbraw/zinc/17/58/06/1108175806.db2.gz JSYSFSGSWSTVRJ-YOEHRIQHSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC001263813053 1108221560 /nfs/dbraw/zinc/22/15/60/1108221560.db2.gz ZNRWOCSYXGEDEQ-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1cc(F)ccc1F ZINC001263821170 1108234994 /nfs/dbraw/zinc/23/49/94/1108234994.db2.gz NSDJUTNMAJUOCI-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001263827757 1108239651 /nfs/dbraw/zinc/23/96/51/1108239651.db2.gz OLAOVZSWKJEJEG-FZNQNYSPSA-N 0 3 304.409 3.085 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccn(C(C)C)c2C)cc1 ZINC001318999306 1108270062 /nfs/dbraw/zinc/27/00/62/1108270062.db2.gz UKHLIKWYUYMMCE-UHFFFAOYSA-N 0 3 323.440 3.030 20 30 DGEDHN C#CCN(C(=O)[C@H](C)C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC001324376153 1108270552 /nfs/dbraw/zinc/27/05/52/1108270552.db2.gz BNRJOSJVBUAJHS-QGZVFWFLSA-N 0 3 324.468 3.159 20 30 DGEDHN CCCCC(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001263891317 1108285181 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C=C(C)CN1CC[C@](C)(NC(=O)Cc2cc(C)ccc2C)C1 ZINC001324647086 1108400911 /nfs/dbraw/zinc/40/09/11/1108400911.db2.gz LKMIJNXEHXAEIL-IBGZPJMESA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)cc(F)c1 ZINC001264185843 1108422788 /nfs/dbraw/zinc/42/27/88/1108422788.db2.gz LSVIMFFVNKPBKB-KRWDZBQOSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)CC(C)(C)C1 ZINC001264196955 1108432784 /nfs/dbraw/zinc/43/27/84/1108432784.db2.gz PSSUOJGARJCBNC-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN CCC[C@H](C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319429524 1108461812 /nfs/dbraw/zinc/46/18/12/1108461812.db2.gz IKYFTCFLSCVQIV-ZWKOTPCHSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC001264372379 1108483069 /nfs/dbraw/zinc/48/30/69/1108483069.db2.gz DONDFYXFHOKQTI-SJLPKXTDSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1cccs1 ZINC001264373469 1108486788 /nfs/dbraw/zinc/48/67/88/1108486788.db2.gz 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ZINC001325232888 1108603056 /nfs/dbraw/zinc/60/30/56/1108603056.db2.gz VIJHWTVCJHLABL-KFWWJZLASA-N 0 3 317.408 3.334 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(C)CC(=C)C1)c1ccccc1CC ZINC001325365045 1108635383 /nfs/dbraw/zinc/63/53/83/1108635383.db2.gz GELWSZDKRWKXMZ-LJQANCHMSA-N 0 3 324.468 3.376 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)cn1 ZINC001264743063 1108640714 /nfs/dbraw/zinc/64/07/14/1108640714.db2.gz QZNXVZNSYKQJRL-KRWDZBQOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1csc(C(C)C)n1 ZINC001264744340 1108642908 /nfs/dbraw/zinc/64/29/08/1108642908.db2.gz TYBSCKZFMJLGSB-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001281086778 1108672371 /nfs/dbraw/zinc/67/23/71/1108672371.db2.gz GKXJBQFTPVLPKR-BHMZLHOFSA-N 0 3 310.869 3.410 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H](C)C(F)(F)F)C(C)C ZINC001319943695 1108706104 /nfs/dbraw/zinc/70/61/04/1108706104.db2.gz KWPDQDMKNDPBQD-KOLCDFICSA-N 0 3 314.779 3.058 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C(F)F)o1)C(C)C ZINC001319956277 1108713611 /nfs/dbraw/zinc/71/36/11/1108713611.db2.gz CAYMJOJGQUNZJF-SNVBAGLBSA-N 0 3 320.767 3.314 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001265062369 1108715901 /nfs/dbraw/zinc/71/59/01/1108715901.db2.gz PHWPHBLNHZBNCZ-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN CC/C=C(\C)C(=O)NCCCN(CC)Cc1ccc(C#N)s1 ZINC001265101738 1108733814 /nfs/dbraw/zinc/73/38/14/1108733814.db2.gz XKIUPIPMWQQXDQ-VGOFMYFVSA-N 0 3 319.474 3.304 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cncs2)C1 ZINC001265205099 1108776531 /nfs/dbraw/zinc/77/65/31/1108776531.db2.gz CBXGZASYLFGOLQ-CQSZACIVSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001265271026 1108798806 /nfs/dbraw/zinc/79/88/06/1108798806.db2.gz QGGZXYUGNJAUHW-CYBMUJFWSA-N 0 3 310.825 3.484 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001265305665 1108817377 /nfs/dbraw/zinc/81/73/77/1108817377.db2.gz BGYAXVSMOJWDRM-MSOLQXFVSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001265310599 1108820193 /nfs/dbraw/zinc/82/01/93/1108820193.db2.gz RIORXVZUUZAJDY-HNNXBMFYSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)Cc2cnoc2C)C1 ZINC001265390771 1108858288 /nfs/dbraw/zinc/85/82/88/1108858288.db2.gz MXCZNVFMMBBISZ-MRXNPFEDSA-N 0 3 319.449 3.010 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]c1C ZINC001265413516 1108866472 /nfs/dbraw/zinc/86/64/72/1108866472.db2.gz UWTSYJFOJWZEMV-OIISXLGYSA-N 0 3 315.461 3.275 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001265443676 1108872912 /nfs/dbraw/zinc/87/29/12/1108872912.db2.gz CNGAPXVARUMVKM-INIZCTEOSA-N 0 3 312.413 3.480 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001265603635 1108930452 /nfs/dbraw/zinc/93/04/52/1108930452.db2.gz ZFLVNNHEGZPBTB-OEMOTLHWSA-N 0 3 305.249 3.100 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cc(C)ccc1F ZINC001265656235 1108952886 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CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(Cl)c2C)C1 ZINC001266099157 1109089365 /nfs/dbraw/zinc/08/93/65/1109089365.db2.gz AAAMWWYVYLGTKJ-HNNXBMFYSA-N 0 3 318.848 3.208 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC001266130470 1109103321 /nfs/dbraw/zinc/10/33/21/1109103321.db2.gz MBXUNDYQMVAXCQ-CYBMUJFWSA-N 0 3 323.506 3.391 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc(C)c(Cl)cc1C)C1CC1 ZINC001266152759 1109109581 /nfs/dbraw/zinc/10/95/81/1109109581.db2.gz ZGNZEZVSJXJTKB-UHFFFAOYSA-N 0 3 318.848 3.174 20 30 DGEDHN CC#CCN(CCCNC(=O)c1csc(Cl)c1)C1CC1 ZINC001266162020 1109111909 /nfs/dbraw/zinc/11/19/09/1109111909.db2.gz ODNOUMNPHNNCQX-UHFFFAOYSA-N 0 3 310.850 3.009 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H](C)c1cc2ccccc2o1)C1CC1 ZINC001266169078 1109113202 /nfs/dbraw/zinc/11/32/02/1109113202.db2.gz PFJUASMPGWERLL-HNNXBMFYSA-N 0 3 324.424 3.140 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2ccccc2n1C ZINC001266172171 1109114244 /nfs/dbraw/zinc/11/42/44/1109114244.db2.gz AVKRXPPIZVMXDJ-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001280197444 1109179814 /nfs/dbraw/zinc/17/98/14/1109179814.db2.gz HYZRWOFFHKOYFZ-LBPRGKRZSA-N 0 3 320.811 3.003 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](CC)OC2CCCCC2)CC1 ZINC001279555072 1109154285 /nfs/dbraw/zinc/15/42/85/1109154285.db2.gz RXEPYIQTEBOTOC-SFHVURJKSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CC=CCC2)c(F)c1 ZINC001279703648 1109160901 /nfs/dbraw/zinc/16/09/01/1109160901.db2.gz KDKPBNZWXLLUFA-HNNXBMFYSA-N 0 3 302.393 3.074 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001316599706 1109167358 /nfs/dbraw/zinc/16/73/58/1109167358.db2.gz FDZHTISPAPLPGQ-WMZOPIPTSA-N 0 3 312.457 3.419 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001280127011 1109175703 /nfs/dbraw/zinc/17/57/03/1109175703.db2.gz IDERYYCBELRMRO-WCXIOVBPSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1(CCF)CC1 ZINC001280332953 1109186506 /nfs/dbraw/zinc/18/65/06/1109186506.db2.gz DBAVFAKNDOEKAZ-UHFFFAOYSA-N 0 3 318.436 3.451 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2cccc(C)c2)cc1 ZINC001280354777 1109189513 /nfs/dbraw/zinc/18/95/13/1109189513.db2.gz UIJYRHZMUVYMEK-KRWDZBQOSA-N 0 3 320.436 3.138 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C[C@H]1C ZINC001281666582 1109391807 /nfs/dbraw/zinc/39/18/07/1109391807.db2.gz ZXQXANMVGXKVLU-IEBWSBKVSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1c(C)noc1C ZINC001281881504 1109413119 /nfs/dbraw/zinc/41/31/19/1109413119.db2.gz NDVOMUVMVHJCTM-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)/C=C(/C)C1CC1 ZINC001281901309 1109413980 /nfs/dbraw/zinc/41/39/80/1109413980.db2.gz KUHJMMVQHBFXKP-TWRDJXJLSA-N 0 3 310.441 3.291 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1 ZINC001281955370 1109421167 /nfs/dbraw/zinc/42/11/67/1109421167.db2.gz MECILSGNHHQLBX-HNNXBMFYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001282096288 1109449420 /nfs/dbraw/zinc/44/94/20/1109449420.db2.gz KAUJUPQOCQOLEC-CABCVRRESA-N 0 3 318.848 3.141 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001282116651 1109453139 /nfs/dbraw/zinc/45/31/39/1109453139.db2.gz YOYNMQLVARUOAB-RZAHBXAWSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001282365118 1109493866 /nfs/dbraw/zinc/49/38/66/1109493866.db2.gz VKPUZTMGJSKNGX-QWHCGFSZSA-N 0 3 310.388 3.429 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2cccc(C)c2)C1 ZINC001282454781 1109514882 /nfs/dbraw/zinc/51/48/82/1109514882.db2.gz IIHOXZAGONJEKJ-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)CCc1ccccc1F ZINC001282455954 1109515272 /nfs/dbraw/zinc/51/52/72/1109515272.db2.gz UJAZWTLXHPBHGA-LSDHHAIUSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)CCc1ccccc1F ZINC001282455951 1109515688 /nfs/dbraw/zinc/51/56/88/1109515688.db2.gz UJAZWTLXHPBHGA-CABCVRRESA-N 0 3 306.425 3.017 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC001282677779 1109550473 /nfs/dbraw/zinc/55/04/73/1109550473.db2.gz HJFTVHMDAZGKKB-MJGOQNOKSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](C)C1CN(CC(=C)C)C1)c1ccccc1 ZINC001282745443 1109562149 /nfs/dbraw/zinc/56/21/49/1109562149.db2.gz SUSDUSAFASYKPI-SJORKVTESA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccsc2)C(C)(C)C1 ZINC001282809178 1109568111 /nfs/dbraw/zinc/56/81/11/1109568111.db2.gz CRMDNMCCGVFLKV-OAHLLOKOSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C=C(/C)CC)C[C@@H]2C1 ZINC001282945451 1109582512 /nfs/dbraw/zinc/58/25/12/1109582512.db2.gz DWPVIIDEYDFWOV-RPNSMEOZSA-N 0 3 310.869 3.312 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001283591618 1109657451 /nfs/dbraw/zinc/65/74/51/1109657451.db2.gz MYVGZLFQRDJRCV-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1 ZINC001283617538 1109661319 /nfs/dbraw/zinc/66/13/19/1109661319.db2.gz AWVCJIIJHIKLKQ-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(CC(C)C)s1 ZINC001283623045 1109662392 /nfs/dbraw/zinc/66/23/92/1109662392.db2.gz TVLKNCWPTOGGNT-CQSZACIVSA-N 0 3 306.475 3.020 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283677642 1109672076 /nfs/dbraw/zinc/67/20/76/1109672076.db2.gz CDJKUHGHIUJXBX-QGZVFWFLSA-N 0 3 312.457 3.077 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(F)c3ccccc23)C1 ZINC001284005447 1109714096 /nfs/dbraw/zinc/71/40/96/1109714096.db2.gz WTEGWWDMIJBVRI-GJZGRUSLSA-N 0 3 324.399 3.195 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c3ccccc23)C1 ZINC001284013680 1109715334 /nfs/dbraw/zinc/71/53/34/1109715334.db2.gz JXFBTOXGGJRPKV-IAGOWNOFSA-N 0 3 320.436 3.364 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC[C@H](C)CC)CCC[C@H]12 ZINC001284058785 1109725789 /nfs/dbraw/zinc/72/57/89/1109725789.db2.gz RYLUELSLFKNBJU-ZIFCJYIRSA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001284072847 1109729986 /nfs/dbraw/zinc/72/99/86/1109729986.db2.gz WPIYVVCPZNKNHG-HFSMHLIXSA-N 0 3 324.468 3.002 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)[C@H]1C ZINC001284128066 1109742531 /nfs/dbraw/zinc/74/25/31/1109742531.db2.gz IWQUOIDNHFRIIV-IEBWSBKVSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(C)cc2)[C@H]1C ZINC001284130931 1109744266 /nfs/dbraw/zinc/74/42/66/1109744266.db2.gz NVGRKWJFWLFBCM-MJGOQNOKSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cc(F)ccc2F)[C@H]1C ZINC001284148639 1109749116 /nfs/dbraw/zinc/74/91/16/1109749116.db2.gz MWQQTNZEHWYUQK-CXAGYDPISA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C(C)(C)C1 ZINC001284275038 1109768195 /nfs/dbraw/zinc/76/81/95/1109768195.db2.gz DKUNGHSNIZYGQY-MRXNPFEDSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc2c([nH]1)CCCC2)C(C)C ZINC001284553179 1109810240 /nfs/dbraw/zinc/81/02/40/1109810240.db2.gz DBFZQRUTMWNJDV-UHFFFAOYSA-N 0 3 317.477 3.252 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1ccoc1 ZINC001316675145 1111081672 /nfs/dbraw/zinc/08/16/72/1111081672.db2.gz KRCDRLKVBXIDJB-BBRMVZONSA-N 0 3 324.852 3.181 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001301881422 1111102971 /nfs/dbraw/zinc/10/29/71/1111102971.db2.gz MMRPJKLHCOHMJL-WBVHZDCISA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCN(C)CCN(CC)c1ncnc2c3ccccc3oc21 ZINC001307152378 1111271965 /nfs/dbraw/zinc/27/19/65/1111271965.db2.gz AFFUYTZVCBBGET-UHFFFAOYSA-N 0 3 310.401 3.320 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(C)c(F)c1 ZINC001307611965 1111320069 /nfs/dbraw/zinc/32/00/69/1111320069.db2.gz UHFXQZNIEMVTNH-CXAGYDPISA-N 0 3 319.424 3.183 20 30 DGEDHN Cc1ccc(CN2CCN(C)C[C@H]2Cc2ccccc2)cc1C#N ZINC001307900937 1111353501 /nfs/dbraw/zinc/35/35/01/1111353501.db2.gz JRXZTUWEEMMSTD-OAQYLSRUSA-N 0 3 319.452 3.225 20 30 DGEDHN C#CCN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCCc2ccccc21 ZINC001308105195 1111378057 /nfs/dbraw/zinc/37/80/57/1111378057.db2.gz YUNYNIXZIZGGNU-HKUYNNGSSA-N 0 3 323.436 3.485 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc2ncccc2c1 ZINC001308395841 1111425012 /nfs/dbraw/zinc/42/50/12/1111425012.db2.gz GYOOJFNCGKWBHO-UHFFFAOYSA-N 0 3 316.408 3.462 20 30 DGEDHN C#CCOc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1 ZINC001308531628 1111438983 /nfs/dbraw/zinc/43/89/83/1111438983.db2.gz JRSRTOJENHYPLY-HXUWFJFHSA-N 0 3 307.393 3.486 20 30 DGEDHN CC1(C#N)CCC(NCc2ncccc2Br)CC1 ZINC001308552470 1111442578 /nfs/dbraw/zinc/44/25/78/1111442578.db2.gz OHWGAQNRPQNMBP-UHFFFAOYSA-N 0 3 308.223 3.406 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CCCN1[O-] ZINC001308843943 1111483332 /nfs/dbraw/zinc/48/33/32/1111483332.db2.gz PIFBRPCDNRFTFF-FVQBIDKESA-N 0 3 322.836 3.336 20 30 DGEDHN C#Cc1ccc(CN2CCN(C)C[C@H]2Cc2ccccc2)cc1 ZINC001308851862 1111485037 /nfs/dbraw/zinc/48/50/37/1111485037.db2.gz YJUMEFWITQNQHN-OAQYLSRUSA-N 0 3 304.437 3.027 20 30 DGEDHN CCCCCCCS(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC001309060765 1111510222 /nfs/dbraw/zinc/51/02/22/1111510222.db2.gz SMAVVFHQXGDGPT-JKSUJKDBSA-N 0 3 318.527 3.139 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)[C@@H](C)c1cccc(Cl)c1 ZINC001317479292 1111546636 /nfs/dbraw/zinc/54/66/36/1111546636.db2.gz DSLJULDVAPSQGQ-HNNXBMFYSA-N 0 3 320.864 3.499 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001312641754 1111664515 /nfs/dbraw/zinc/66/45/15/1111664515.db2.gz MJILVCYKFMGEMA-HOTGVXAUSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(C)CONC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001312950061 1111683776 /nfs/dbraw/zinc/68/37/76/1111683776.db2.gz CQOUJNRRJDRNDK-UHFFFAOYSA-N 0 3 311.470 3.036 20 30 DGEDHN CCCN(CCNC(=O)CC(C)C)Cc1ccc(C#N)c(F)c1 ZINC001317538456 1111693136 /nfs/dbraw/zinc/69/31/36/1111693136.db2.gz JSZACKUCLSQRTJ-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1ccccc1Cl)C1CC1 ZINC001317011014 1111737335 /nfs/dbraw/zinc/73/73/35/1111737335.db2.gz MQPNBKIEEJCCBN-MRXNPFEDSA-N 0 3 306.837 3.291 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001316804336 1111741512 /nfs/dbraw/zinc/74/15/12/1111741512.db2.gz GSWBGVOQEIUYMP-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CC)CCCC2)CC(C)(C)C1 ZINC001316812346 1111746093 /nfs/dbraw/zinc/74/60/93/1111746093.db2.gz UQKOTYXGZQOQJG-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1 ZINC001317085683 1111748062 /nfs/dbraw/zinc/74/80/62/1111748062.db2.gz BXTXVVKBUZEEFT-XUXIUFHCSA-N 0 3 300.874 3.294 20 30 DGEDHN CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C#CC(C)C)C1 ZINC001316719276 1111756368 /nfs/dbraw/zinc/75/63/68/1111756368.db2.gz IUVKWNHNCJXLEI-RTBURBONSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)CCCCC)C[C@@H]2C1 ZINC001316760801 1111760014 /nfs/dbraw/zinc/76/00/14/1111760014.db2.gz POEHPNOCCGDVPF-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2C2CC2)[C@H]1C ZINC001316794336 1111768066 /nfs/dbraw/zinc/76/80/66/1111768066.db2.gz IUFAEXWHGXLRHN-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C[C@@H](c1cccc(Cl)c1)N(C)CCC(=O)N(C)CCC#N ZINC000062014245 432003413 /nfs/dbraw/zinc/00/34/13/432003413.db2.gz JUALYMFRCLOAEK-ZDUSSCGKSA-N 0 3 307.825 3.095 20 30 DGEDHN CC[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccncc1 ZINC000331305991 529454557 /nfs/dbraw/zinc/45/45/57/529454557.db2.gz DXVWFJDLQPDDCI-JKSUJKDBSA-N 0 3 318.465 3.157 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(C(F)(F)F)c1 ZINC000431449557 529486009 /nfs/dbraw/zinc/48/60/09/529486009.db2.gz NLJITTDPIRHPRN-JQWIXIFHSA-N 0 3 314.307 3.139 20 30 DGEDHN CC[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000182310154 529594060 /nfs/dbraw/zinc/59/40/60/529594060.db2.gz OZWDZJNLKDSWEX-HNNXBMFYSA-N 0 3 307.825 3.143 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000341753215 529648664 /nfs/dbraw/zinc/64/86/64/529648664.db2.gz FITYKMFMWJATQJ-IEZWGBDMSA-N 0 3 315.461 3.479 20 30 DGEDHN CC[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(C#N)cc1 ZINC000278218360 214029321 /nfs/dbraw/zinc/02/93/21/214029321.db2.gz IOFIOLMUATVMPR-GOSISDBHSA-N 0 3 313.445 3.438 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2c[nH]nc21 ZINC000092567759 185326300 /nfs/dbraw/zinc/32/63/00/185326300.db2.gz ZAFKNYDLLAOVOG-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@@H](CC)N(CC)CC)cc1 ZINC000345755016 529718499 /nfs/dbraw/zinc/71/84/99/529718499.db2.gz FEBDIQBCXUTTBE-DLBZAZTESA-N 0 3 301.434 3.050 20 30 DGEDHN C[C@H](NCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1 ZINC000181519860 199309458 /nfs/dbraw/zinc/30/94/58/199309458.db2.gz LNHIEQQOIWWNTN-OLZOCXBDSA-N 0 3 313.426 3.340 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)Nc1sccc1C#N ZINC000181519879 199309954 /nfs/dbraw/zinc/30/99/54/199309954.db2.gz LNHIEQQOIWWNTN-STQMWFEESA-N 0 3 313.426 3.340 20 30 DGEDHN CN(C)c1cccc(NCc2ccc(N(C)CCC#N)cc2)n1 ZINC000180527078 529793047 /nfs/dbraw/zinc/79/30/47/529793047.db2.gz MZLZUODCGMZLCB-UHFFFAOYSA-N 0 3 309.417 3.110 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000286733782 219136777 /nfs/dbraw/zinc/13/67/77/219136777.db2.gz FCDBYTMFJKYMRT-GOSISDBHSA-N 0 3 314.816 3.247 20 30 DGEDHN C=C(C)CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000104060696 432013924 /nfs/dbraw/zinc/01/39/24/432013924.db2.gz WGXAYZNTOFPJTI-AWEZNQCLSA-N 0 3 305.397 3.235 20 30 DGEDHN CC(C)[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1CCCCC1 ZINC000104242139 432015847 /nfs/dbraw/zinc/01/58/47/432015847.db2.gz DCXWEPPWCKQWFN-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN N#CCNC(=O)CN(Cc1cccc2ccccc21)C1CCCC1 ZINC000066498327 432017356 /nfs/dbraw/zinc/01/73/56/432017356.db2.gz XJBJRBZNVODLJK-UHFFFAOYSA-N 0 3 321.424 3.224 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000279685348 215061406 /nfs/dbraw/zinc/06/14/06/215061406.db2.gz STPIGKBAUUUPSZ-WOJBJXKFSA-N 0 3 324.468 3.332 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2cccc(F)c2F)CC1 ZINC000106035207 432019591 /nfs/dbraw/zinc/01/95/91/432019591.db2.gz CQTFNOSJZSVARM-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000106314985 432020214 /nfs/dbraw/zinc/02/02/14/432020214.db2.gz VVZZMEZCVMRQAI-UHFFFAOYSA-N 0 3 301.434 3.465 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCC2=CCCCC2)CC1 ZINC000106276003 432020421 /nfs/dbraw/zinc/02/04/21/432020421.db2.gz SQQKPFQIMBOFTE-UHFFFAOYSA-N 0 3 305.466 3.217 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3nc2C)CC1 ZINC000106037792 432020856 /nfs/dbraw/zinc/02/08/56/432020856.db2.gz OQDCWOBFZQDLSJ-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN Cn1cc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1C#N ZINC000295995805 282643581 /nfs/dbraw/zinc/64/35/81/282643581.db2.gz KOVSTZYOUSVXES-QGZVFWFLSA-N 0 3 301.340 3.342 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3cccnc32)CC1 ZINC000171548197 197939519 /nfs/dbraw/zinc/93/95/19/197939519.db2.gz YUKMHJHHVCRQSD-UHFFFAOYSA-N 0 3 324.428 3.397 20 30 DGEDHN CC(C)n1cnnc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000172357649 198084439 /nfs/dbraw/zinc/08/44/39/198084439.db2.gz QKGKKBXRGDOBSV-KRWDZBQOSA-N 0 3 309.417 3.110 20 30 DGEDHN C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000174076413 198288341 /nfs/dbraw/zinc/28/83/41/198288341.db2.gz HAEGZKCIAXQDCM-BBRMVZONSA-N 0 3 315.417 3.218 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648727 334979683 /nfs/dbraw/zinc/97/96/83/334979683.db2.gz LQHKENWACCVJDK-UHFFFAOYSA-N 0 3 309.413 3.122 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1c(F)cccc1F ZINC000176970533 198644867 /nfs/dbraw/zinc/64/48/67/198644867.db2.gz CGNIPWCGEIQHQH-HNNXBMFYSA-N 0 3 321.396 3.290 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2COc3ccccc32)C1 ZINC000377560163 283049259 /nfs/dbraw/zinc/04/92/59/283049259.db2.gz DPWZXBHWHCAGMC-XRTORIHISA-N 0 3 304.393 3.376 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000339064607 283057724 /nfs/dbraw/zinc/05/77/24/283057724.db2.gz OSDDMCCLEMHJSG-RHSMWYFYSA-N 0 3 310.397 3.239 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC000294336883 283057763 /nfs/dbraw/zinc/05/77/63/283057763.db2.gz AKLHVAUJKVLCDU-DGCLKSJQSA-N 0 3 312.339 3.231 20 30 DGEDHN N#Cc1ccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)s1 ZINC000487490393 283128242 /nfs/dbraw/zinc/12/82/42/283128242.db2.gz WTJBSZGGXBPLPH-AWEZNQCLSA-N 0 3 323.421 3.245 20 30 DGEDHN C=CCOc1ccc(CN(CC)C[C@H]2CCCO2)cc1OC ZINC000179846369 432072701 /nfs/dbraw/zinc/07/27/01/432072701.db2.gz XGESARDNYHCYER-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN N#Cc1ccc(OCCN[C@@H](CCCO)c2ccccc2)cc1 ZINC000179744919 199075301 /nfs/dbraw/zinc/07/53/01/199075301.db2.gz CQMLQUKJZJORHU-IBGZPJMESA-N 0 3 310.397 3.040 20 30 DGEDHN N#Cc1cccc(OCCN[C@@H](CCCO)c2ccccc2)c1 ZINC000179759501 199076970 /nfs/dbraw/zinc/07/69/70/199076970.db2.gz AUMSSCPSZNJLFJ-IBGZPJMESA-N 0 3 310.397 3.040 20 30 DGEDHN N#Cc1ccccc1OCCN[C@@H](CCCO)c1ccccc1 ZINC000179759848 199077655 /nfs/dbraw/zinc/07/76/55/199077655.db2.gz KIFUFVDAJGVEBV-SFHVURJKSA-N 0 3 310.397 3.040 20 30 DGEDHN C#CCCCCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000179975734 199101178 /nfs/dbraw/zinc/10/11/78/199101178.db2.gz KQHMMBWKLKJJRB-UHFFFAOYSA-N 0 3 313.445 3.325 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000187678511 200143055 /nfs/dbraw/zinc/14/30/55/200143055.db2.gz XTSRVJWLMVLOBC-YOEHRIQHSA-N 0 3 321.428 3.037 20 30 DGEDHN COCC(C)(C)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000429253141 238045106 /nfs/dbraw/zinc/04/51/06/238045106.db2.gz ADKANZIWUSCURT-UHFFFAOYSA-N 0 3 315.335 3.294 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(CCCCc3ccccc3)C2)nc1 ZINC000428806786 238031790 /nfs/dbraw/zinc/03/17/90/238031790.db2.gz KMEVSALXJMJCNV-IBGZPJMESA-N 0 3 321.424 3.429 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(=O)[nH]1 ZINC000430613245 238081854 /nfs/dbraw/zinc/08/18/54/238081854.db2.gz UUXOJPYGTONFEU-LLVKDONJSA-N 0 3 315.398 3.340 20 30 DGEDHN CN1CCC[C@H](CNCc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000246060887 432090947 /nfs/dbraw/zinc/09/09/47/432090947.db2.gz DIBBJPIRORKHML-DYVFJYSZSA-N 0 3 315.442 3.385 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000433354347 238157150 /nfs/dbraw/zinc/15/71/50/238157150.db2.gz NZJLVGPISXRJSX-SJORKVTESA-N 0 3 322.412 3.236 20 30 DGEDHN CN(C)[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 ZINC000433383325 238158143 /nfs/dbraw/zinc/15/81/43/238158143.db2.gz HGZVEOJTYQGMTA-ROUUACIJSA-N 0 3 313.445 3.268 20 30 DGEDHN C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271957493 209340075 /nfs/dbraw/zinc/34/00/75/209340075.db2.gz QHWFXSIUQMCXEW-CJNGLKHVSA-N 0 3 318.392 3.424 20 30 DGEDHN C[C@@H](O)[C@](C)(CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000191709838 200749178 /nfs/dbraw/zinc/74/91/78/200749178.db2.gz PERMAQGIZKBKIX-KDOFPFPSSA-N 0 3 314.454 3.339 20 30 DGEDHN Cc1sc(NC(=O)CN[C@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000194311219 201199721 /nfs/dbraw/zinc/19/97/21/201199721.db2.gz AQJHTMOHOWLFIK-YGRLFVJLSA-N 0 3 305.447 3.343 20 30 DGEDHN N#Cc1ccc(CNCCN2CCC3(CCCCC3)CC2)o1 ZINC000441352085 239039768 /nfs/dbraw/zinc/03/97/68/239039768.db2.gz DKQUIPKYQZSJIE-UHFFFAOYSA-N 0 3 301.434 3.287 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(Br)cc2)C1 ZINC000442858367 239138335 /nfs/dbraw/zinc/13/83/35/239138335.db2.gz HMSSBTNNWPVNNT-YPMHNXCESA-N 0 3 309.207 3.110 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4occc4c3)C2)nc1 ZINC000292894033 223296191 /nfs/dbraw/zinc/29/61/91/223296191.db2.gz ZJBQAANHXFPPHD-QGZVFWFLSA-N 0 3 319.364 3.353 20 30 DGEDHN Cc1cc(CNCc2cccc(Cn3cccn3)c2)ccc1C#N ZINC000443978489 239244575 /nfs/dbraw/zinc/24/45/75/239244575.db2.gz LKWWDKBZHJCQDT-UHFFFAOYSA-N 0 3 316.408 3.401 20 30 DGEDHN CCOc1ccc(NC(=O)CNC2CCC(C)(C#N)CC2)cc1 ZINC000449218531 240073409 /nfs/dbraw/zinc/07/34/09/240073409.db2.gz JGWGTYYESDDBGJ-UHFFFAOYSA-N 0 3 315.417 3.086 20 30 DGEDHN CC1(C#N)CCC(NCc2ccncc2OCC(F)F)CC1 ZINC000449307013 240122283 /nfs/dbraw/zinc/12/22/83/240122283.db2.gz YIVNGHMAMXWNEU-UHFFFAOYSA-N 0 3 309.360 3.288 20 30 DGEDHN COc1ccc(CNC2CC(C)(F)C2)cc1OCCCC#N ZINC000449369083 240160160 /nfs/dbraw/zinc/16/01/60/240160160.db2.gz ALQJQHZCYZAEFR-UHFFFAOYSA-N 0 3 306.381 3.358 20 30 DGEDHN COC[C@@]1(C)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449393964 240174911 /nfs/dbraw/zinc/17/49/11/240174911.db2.gz NGPBQDFFTBNZTI-SFHVURJKSA-N 0 3 302.418 3.228 20 30 DGEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(F)F ZINC000449411596 240185293 /nfs/dbraw/zinc/18/52/93/240185293.db2.gz CABUXPQAROGKQV-CYBMUJFWSA-N 0 3 307.388 3.156 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCCO[C@H]2C=C)cc1OC ZINC000449549279 240281264 /nfs/dbraw/zinc/28/12/64/240281264.db2.gz WJTFIYZNRWLYFM-CVEARBPZSA-N 0 3 303.402 3.083 20 30 DGEDHN C[C@H](CC(=O)N(C)C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412327 193053548 /nfs/dbraw/zinc/05/35/48/193053548.db2.gz RHUIMZQTZVDZSN-OAHLLOKOSA-N 0 3 321.424 3.182 20 30 DGEDHN COC(=O)[C@](C)(CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000189946675 432107823 /nfs/dbraw/zinc/10/78/23/432107823.db2.gz ZGKINNUZBDBUEP-FOIQADDNSA-N 0 3 322.408 3.340 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000451158961 241026855 /nfs/dbraw/zinc/02/68/55/241026855.db2.gz AXAYZPYIYCQQEI-HUUCEWRRSA-N 0 3 304.409 3.374 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451507236 241149701 /nfs/dbraw/zinc/14/97/01/241149701.db2.gz VIRINNUBLKATIN-DLBZAZTESA-N 0 3 302.418 3.249 20 30 DGEDHN N#Cc1cccc(OCCCN2CCSC[C@@H]2C2CC2)c1 ZINC000451655973 241200323 /nfs/dbraw/zinc/20/03/23/241200323.db2.gz RQZFXKSOBQBQMJ-QGZVFWFLSA-N 0 3 302.443 3.155 20 30 DGEDHN N#Cc1cccc(OCCN2CCC[C@@]3(CCSC3)C2)c1 ZINC000451968172 241288360 /nfs/dbraw/zinc/28/83/60/241288360.db2.gz SLRUWCAWZMUINI-QGZVFWFLSA-N 0 3 302.443 3.156 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000275324494 212270551 /nfs/dbraw/zinc/27/05/51/212270551.db2.gz OVFVTEZEGDDMAK-GOSISDBHSA-N 0 3 300.446 3.289 20 30 DGEDHN CCN(C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000268630204 432112967 /nfs/dbraw/zinc/11/29/67/432112967.db2.gz BOZLUGKHAVLIHY-KUHUBIRLSA-N 0 3 310.397 3.380 20 30 DGEDHN CCO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1C ZINC000456129569 242356376 /nfs/dbraw/zinc/35/63/76/242356376.db2.gz BXWNHJRAIVUUBF-RYQLBKOJSA-N 0 3 314.429 3.032 20 30 DGEDHN CCO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C ZINC000456129568 242356499 /nfs/dbraw/zinc/35/64/99/242356499.db2.gz BXWNHJRAIVUUBF-KBAYOESNSA-N 0 3 314.429 3.032 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCC1(F)F ZINC000456136368 242358803 /nfs/dbraw/zinc/35/88/03/242358803.db2.gz IHQDVOPXDHSNTN-HUUCEWRRSA-N 0 3 306.356 3.311 20 30 DGEDHN CN(CCNC(=O)Nc1cccc(CC#N)c1)Cc1ccccc1 ZINC000455920893 242311763 /nfs/dbraw/zinc/31/17/63/242311763.db2.gz ODTHHENWFFRVAW-UHFFFAOYSA-N 0 3 322.412 3.006 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1cnc(C2CC2)nc1 ZINC000459375171 243352622 /nfs/dbraw/zinc/35/26/22/243352622.db2.gz JXBPAMIFWIDIGG-UHFFFAOYSA-N 0 3 324.453 3.249 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470167020 244152504 /nfs/dbraw/zinc/15/25/04/244152504.db2.gz KFWBMUFOUTWIMM-RTBURBONSA-N 0 3 312.457 3.479 20 30 DGEDHN C[C@H]1C[C@H](O)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000471810179 244250168 /nfs/dbraw/zinc/25/01/68/244250168.db2.gz KGDHMCVDQOZWJC-KXBFYZLASA-N 0 3 322.408 3.092 20 30 DGEDHN C[C@H]1C[C@@H](O)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000471810178 244250392 /nfs/dbraw/zinc/25/03/92/244250392.db2.gz KGDHMCVDQOZWJC-HNAYVOBHSA-N 0 3 322.408 3.092 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000472153416 244285647 /nfs/dbraw/zinc/28/56/47/244285647.db2.gz HVTGNUGLOLOBAQ-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000472568694 244308978 /nfs/dbraw/zinc/30/89/78/244308978.db2.gz XCHYNJHCKFQWSL-CRAIPNDOSA-N 0 3 322.880 3.346 20 30 DGEDHN CC(C)CN(CC(=O)NCc1cccc(C#N)c1)CC(C)(C)C ZINC000474221164 244380473 /nfs/dbraw/zinc/38/04/73/244380473.db2.gz YEIQVEZNXGMAJK-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN CCC1CCC(N(CCO)Cc2cc(C#N)ccc2F)CC1 ZINC000488174919 245155377 /nfs/dbraw/zinc/15/53/77/245155377.db2.gz YBPHFAPYBDWPKH-UHFFFAOYSA-N 0 3 304.409 3.460 20 30 DGEDHN C=CCn1cccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000488559629 245209518 /nfs/dbraw/zinc/20/95/18/245209518.db2.gz BIRVNZVLZAEHSU-UHFFFAOYSA-N 0 3 323.440 3.069 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489862865 245354519 /nfs/dbraw/zinc/35/45/19/245354519.db2.gz REBGEXUVWCLAKR-LTIDMASMSA-N 0 3 307.482 3.103 20 30 DGEDHN CCN(CC)[C@@H](CNc1snc(C)c1C#N)c1ccco1 ZINC000288241365 220037992 /nfs/dbraw/zinc/03/79/92/220037992.db2.gz DRDIMSJCPXHBGX-ZDUSSCGKSA-N 0 3 304.419 3.411 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](CC)c1nccn1C)C(C)C ZINC000271767060 209196395 /nfs/dbraw/zinc/19/63/95/209196395.db2.gz CHLRZYBBEHZPLZ-SJORKVTESA-N 0 3 304.482 3.159 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246448895 432131842 /nfs/dbraw/zinc/13/18/42/432131842.db2.gz VIPQKRJIKARTBV-WMLDXEAASA-N 0 3 321.428 3.037 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000494111595 246113052 /nfs/dbraw/zinc/11/30/52/246113052.db2.gz LCOVTALYMPAWSA-CVEARBPZSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CCN(C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000494701353 246182739 /nfs/dbraw/zinc/18/27/39/246182739.db2.gz FTPUTMLTSGPGRQ-MRXNPFEDSA-N 0 3 313.397 3.336 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000494707037 246184471 /nfs/dbraw/zinc/18/44/71/246184471.db2.gz FFKHYDWICJUVMZ-LJQANCHMSA-N 0 3 314.429 3.218 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(C)c1)C(C)C ZINC000496013838 246341064 /nfs/dbraw/zinc/34/10/64/246341064.db2.gz KKMMUVPLUIKKCH-GOSISDBHSA-N 0 3 300.446 3.423 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000171550141 432142694 /nfs/dbraw/zinc/14/26/94/432142694.db2.gz GZUIETSFEBSWCA-INIZCTEOSA-N 0 3 315.461 3.314 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000171548136 432144150 /nfs/dbraw/zinc/14/41/50/432144150.db2.gz KIPCDEXPHJHZDV-UHFFFAOYSA-N 0 3 320.462 3.183 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc(Cl)c(C)c2)CC1 ZINC000267954477 206358908 /nfs/dbraw/zinc/35/89/08/206358908.db2.gz XSHGZPDCSGMFFE-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN C#CCCCCc1nc(-c2ccccc2OCCN(C)C)no1 ZINC000274008220 211266186 /nfs/dbraw/zinc/26/61/86/211266186.db2.gz YVVYYARQDOUBCW-UHFFFAOYSA-N 0 3 313.401 3.023 20 30 DGEDHN CC(C)OCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963469 194058762 /nfs/dbraw/zinc/05/87/62/194058762.db2.gz FWSGFUUGQISJNQ-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1OC ZINC000268861305 207029322 /nfs/dbraw/zinc/02/93/22/207029322.db2.gz SCGZPJAKRWJGBR-OAHLLOKOSA-N 0 3 313.401 3.150 20 30 DGEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000119749904 195030040 /nfs/dbraw/zinc/03/00/40/195030040.db2.gz RHKZIVBSMMEHDU-UHFFFAOYSA-N 0 3 322.399 3.049 20 30 DGEDHN COc1ccccc1[C@H](CN[C@H]1CC[C@H](C#N)C1)OC(C)C ZINC000442839880 533013799 /nfs/dbraw/zinc/01/37/99/533013799.db2.gz YTADYBQXPQNEIL-MPGHIAIKSA-N 0 3 302.418 3.443 20 30 DGEDHN C[C@H](NCc1ccccc1Cn1cncn1)c1cccc(C#N)c1 ZINC000337805578 253176913 /nfs/dbraw/zinc/17/69/13/253176913.db2.gz HLOIGNBNCXYXLM-HNNXBMFYSA-N 0 3 317.396 3.049 20 30 DGEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCC2)Cc1ccccc1 ZINC000338337465 253268104 /nfs/dbraw/zinc/26/81/04/253268104.db2.gz IYFHPZDHCOPRHZ-SFHVURJKSA-N 0 3 320.440 3.027 20 30 DGEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(C#N)c1 ZINC000338347947 253269776 /nfs/dbraw/zinc/26/97/76/253269776.db2.gz FTDOQSLZESDZFC-UHFFFAOYSA-N 0 3 313.332 3.280 20 30 DGEDHN C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1=CCN(C)CC1 ZINC000330760156 533102817 /nfs/dbraw/zinc/10/28/17/533102817.db2.gz GOMFYVJMOLQDPV-LLVKDONJSA-N 0 3 318.808 3.188 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCCC[C@@H]1C ZINC000343176612 254110157 /nfs/dbraw/zinc/11/01/57/254110157.db2.gz CBZGMRJZDYVYIF-STQMWFEESA-N 0 3 318.396 3.082 20 30 DGEDHN Cc1ccnc(N2CC[C@H](C)N(Cc3ccccc3)CC2)c1C#N ZINC000343504618 254152685 /nfs/dbraw/zinc/15/26/85/254152685.db2.gz HDOKFKSJEAIDKD-KRWDZBQOSA-N 0 3 320.440 3.363 20 30 DGEDHN CN(CCCN(C)c1cccc(F)c1C#N)Cc1ccco1 ZINC000343881659 254199433 /nfs/dbraw/zinc/19/94/33/254199433.db2.gz XYQONPIIBNQPOO-UHFFFAOYSA-N 0 3 301.365 3.249 20 30 DGEDHN N#Cc1ccc(CNCCc2ccccc2Br)o1 ZINC000343906390 254202130 /nfs/dbraw/zinc/20/21/30/254202130.db2.gz AZEYYXZSAWNVTN-UHFFFAOYSA-N 0 3 305.175 3.246 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)cc1F)N1CCc2ccccc2C1 ZINC000343935020 254204426 /nfs/dbraw/zinc/20/44/26/254204426.db2.gz WLHFYKRWSYDCRE-OAHLLOKOSA-N 0 3 323.415 3.234 20 30 DGEDHN CN(C[C@H]1CC=CCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000344028885 254215394 /nfs/dbraw/zinc/21/53/94/254215394.db2.gz ACIHDFVFZWBJHQ-ZFWWWQNUSA-N 0 3 315.442 3.013 20 30 DGEDHN CN(C[C@@H]1CC=CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000344077727 254221664 /nfs/dbraw/zinc/22/16/64/254221664.db2.gz WXJTXJJROITBCD-MJGOQNOKSA-N 0 3 323.440 3.342 20 30 DGEDHN CC(C)(C)[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000344160402 254233305 /nfs/dbraw/zinc/23/33/05/254233305.db2.gz HROXQPJUPGLJBD-HNNXBMFYSA-N 0 3 310.401 3.476 20 30 DGEDHN COc1ccc([C@@H](Cc2ccccc2)NC(=O)C(C)C#N)cc1 ZINC000359438363 533129987 /nfs/dbraw/zinc/12/99/87/533129987.db2.gz ZIGQDLVUTHPEPT-KBXCAEBGSA-N 0 3 308.381 3.255 20 30 DGEDHN CN(CCOc1cccc(F)c1C#N)Cc1ccc(F)cc1 ZINC000344509983 254278308 /nfs/dbraw/zinc/27/83/08/254278308.db2.gz GNNBQDXVRZQALM-UHFFFAOYSA-N 0 3 302.324 3.347 20 30 DGEDHN O=C(Nc1ccc2c(c1)OC(F)(F)O2)C12CCCN1CCC2 ZINC000328874680 285230395 /nfs/dbraw/zinc/23/03/95/285230395.db2.gz ZDYAVAWUTASAJI-UHFFFAOYSA-N 0 3 310.300 3.225 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000120837717 195247556 /nfs/dbraw/zinc/24/75/56/195247556.db2.gz HQGMZAJSJDRSMV-IRXDYDNUSA-N 0 3 302.393 3.477 20 30 DGEDHN CCOc1cccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000271613487 209059970 /nfs/dbraw/zinc/05/99/70/209059970.db2.gz AGEDXDHZKLLWEF-KUHUBIRLSA-N 0 3 310.397 3.341 20 30 DGEDHN C[C@@H](NCc1cccc(N2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000293034235 533456899 /nfs/dbraw/zinc/45/68/99/533456899.db2.gz AJVBSOGZMGTRCC-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN COc1ccc(CN(Cc2ccccc2)C(=O)C(C)C#N)cc1 ZINC000344135795 533550173 /nfs/dbraw/zinc/55/01/73/533550173.db2.gz YJFCEBQFNDSOBB-OAHLLOKOSA-N 0 3 308.381 3.384 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000595104182 400107904 /nfs/dbraw/zinc/10/79/04/400107904.db2.gz QFEPFCFVFHTNGI-LZQZEXGQSA-N 0 3 314.429 3.164 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000595255884 400114014 /nfs/dbraw/zinc/11/40/14/400114014.db2.gz JJFSNROODKDESX-OAHLLOKOSA-N 0 3 313.426 3.052 20 30 DGEDHN Cc1cccc(C)c1CN1CCN(c2ccccc2C#N)CC1 ZINC000303797323 400115138 /nfs/dbraw/zinc/11/51/38/400115138.db2.gz WCYSUCFTBJYBEV-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000007980950 400115583 /nfs/dbraw/zinc/11/55/83/400115583.db2.gz LPMSFHHFSNGCLC-MRXNPFEDSA-N 0 3 322.368 3.153 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cc2NC)CC1 ZINC000581616540 400081308 /nfs/dbraw/zinc/08/13/08/400081308.db2.gz PTGQFVXAPUVSMJ-UHFFFAOYSA-N 0 3 321.852 3.152 20 30 DGEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2cc(Cl)ccc12 ZINC000609574521 400177026 /nfs/dbraw/zinc/17/70/26/400177026.db2.gz KRMHZHFOWFGSRI-LBPRGKRZSA-N 0 3 300.793 3.397 20 30 DGEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccccc1Br ZINC000609574663 400177172 /nfs/dbraw/zinc/17/71/72/400177172.db2.gz QGRXDIDMYQFZJU-LBPRGKRZSA-N 0 3 322.250 3.088 20 30 DGEDHN N#Cc1ccc(CN(C2CC2)C2(CO)CCC2)c(OC(F)F)c1 ZINC000595534207 400178966 /nfs/dbraw/zinc/17/89/66/400178966.db2.gz QWHYVWUCGTUFGO-UHFFFAOYSA-N 0 3 322.355 3.039 20 30 DGEDHN N#Cc1ccc(CCN2CCN(CC3CCCCC3)CC2)cc1 ZINC000595296813 400122394 /nfs/dbraw/zinc/12/23/94/400122394.db2.gz LGEPJGLKOFPKSX-UHFFFAOYSA-N 0 3 311.473 3.299 20 30 DGEDHN CC[C@@H](CC(F)F)CN1CCN(c2ccccc2C#N)CC1 ZINC000595301817 400123980 /nfs/dbraw/zinc/12/39/80/400123980.db2.gz QLMLPRINVPEPTQ-AWEZNQCLSA-N 0 3 307.388 3.362 20 30 DGEDHN C[C@H](c1cccs1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000314752420 400141467 /nfs/dbraw/zinc/14/14/67/400141467.db2.gz YEQNLHGWQGEFHB-UKRRQHHQSA-N 0 3 316.426 3.052 20 30 DGEDHN COc1ccc2c(c1)CCCN(CCOc1cccc(C#N)c1)C2 ZINC000609133976 400143026 /nfs/dbraw/zinc/14/30/26/400143026.db2.gz RRNFKOQAKGJTLF-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595432258 400148689 /nfs/dbraw/zinc/14/86/89/400148689.db2.gz YDHUZIBFGBWTAV-NOCIGQNYSA-N 0 3 313.420 3.054 20 30 DGEDHN CC[C@H](C)[C@@H](C)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000609204477 400149815 /nfs/dbraw/zinc/14/98/15/400149815.db2.gz QSCXXVQRMULGDN-LSDHHAIUSA-N 0 3 305.466 3.228 20 30 DGEDHN N#CCN1CCC(NCc2ccc(-c3ccccc3F)o2)CC1 ZINC000609335030 400160779 /nfs/dbraw/zinc/16/07/79/400160779.db2.gz PROPLTMSQCHSMR-UHFFFAOYSA-N 0 3 313.376 3.163 20 30 DGEDHN CC1(C)C[C@@H](N2CCC(Oc3ccc(C#N)cc3F)CC2)CO1 ZINC000595485206 400165072 /nfs/dbraw/zinc/16/50/72/400165072.db2.gz WMKDOZFFPHVPGR-CQSZACIVSA-N 0 3 318.392 3.108 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC1(C#N)CCCCC1 ZINC000595499773 400168961 /nfs/dbraw/zinc/16/89/61/400168961.db2.gz ANQBRLATAISCRB-HZPDHXFCSA-N 0 3 320.481 3.023 20 30 DGEDHN CC[C@@H](CC(F)F)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500279 400169080 /nfs/dbraw/zinc/16/90/80/400169080.db2.gz DJJCXQODDGTCNR-GXTWGEPZSA-N 0 3 309.360 3.088 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000610250213 400228962 /nfs/dbraw/zinc/22/89/62/400228962.db2.gz MYYMDFRJTAYDJD-VDZJLULYSA-N 0 3 315.461 3.416 20 30 DGEDHN COc1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1C#N ZINC000595781195 400256309 /nfs/dbraw/zinc/25/63/09/400256309.db2.gz AJDFAPPOJBCSFF-LJQANCHMSA-N 0 3 314.429 3.348 20 30 DGEDHN N#CCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000588147823 400190841 /nfs/dbraw/zinc/19/08/41/400190841.db2.gz YARNQBGEVJKKTF-UHFFFAOYSA-N 0 3 313.445 3.241 20 30 DGEDHN CCCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000609800132 400193476 /nfs/dbraw/zinc/19/34/76/400193476.db2.gz LVJVFPGWSJCSBU-UHFFFAOYSA-N 0 3 308.429 3.419 20 30 DGEDHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595608995 400202867 /nfs/dbraw/zinc/20/28/67/400202867.db2.gz DMEZVKHIMZZYSQ-IRXDYDNUSA-N 0 3 316.445 3.175 20 30 DGEDHN CC(C)c1ccccc1OC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595608993 400203180 /nfs/dbraw/zinc/20/31/80/400203180.db2.gz DMEZVKHIMZZYSQ-DLBZAZTESA-N 0 3 316.445 3.175 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(F)c3)CC2)cc1 ZINC000022850309 400204193 /nfs/dbraw/zinc/20/41/93/400204193.db2.gz BFMLIIWYHGUOIO-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN N#CCCCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000588250650 400205116 /nfs/dbraw/zinc/20/51/16/400205116.db2.gz UBTLVGVDPDPGKC-HNNXBMFYSA-N 0 3 319.474 3.475 20 30 DGEDHN N#CC[C@@H]1CCCN(CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595614442 400206013 /nfs/dbraw/zinc/20/60/13/400206013.db2.gz CDHIONARQKTNJO-ZDUSSCGKSA-N 0 3 308.328 3.176 20 30 DGEDHN C=CCCCCCN(C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000610079914 400212154 /nfs/dbraw/zinc/21/21/54/400212154.db2.gz WTWANSZKAOWJQV-HOTGVXAUSA-N 0 3 323.481 3.069 20 30 DGEDHN C=CCN(Cc1ccc2oc(C(=O)OC)cc2c1)[C@H](C)COC ZINC000595645013 400217556 /nfs/dbraw/zinc/21/75/56/400217556.db2.gz DMVNJXROALVCNZ-CYBMUJFWSA-N 0 3 317.385 3.242 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595791503 400262872 /nfs/dbraw/zinc/26/28/72/400262872.db2.gz VAELDODYKGDVMR-YJBOKZPZSA-N 0 3 302.393 3.478 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000386704872 400263800 /nfs/dbraw/zinc/26/38/00/400263800.db2.gz VRRSBZVKFIZARY-SFHVURJKSA-N 0 3 313.445 3.097 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N[C@H](C)CN1CCCCC1 ZINC000610514741 400267648 /nfs/dbraw/zinc/26/76/48/400267648.db2.gz XNVNACAZHDBJCF-OAHLLOKOSA-N 0 3 308.429 3.123 20 30 DGEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(OC)c1O ZINC000589176656 400269386 /nfs/dbraw/zinc/26/93/86/400269386.db2.gz VZHDEEMHWGMKPK-MRXNPFEDSA-N 0 3 324.380 3.058 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C2CCC2)C1 ZINC000595837687 400277148 /nfs/dbraw/zinc/27/71/48/400277148.db2.gz QYDOGWSARHHKPH-RDJZCZTQSA-N 0 3 317.477 3.230 20 30 DGEDHN CCN1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C#N)c1 ZINC000596121422 400322816 /nfs/dbraw/zinc/32/28/16/400322816.db2.gz XDHUOKSHCOKBGC-OAHLLOKOSA-N 0 3 302.378 3.061 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCOC1 ZINC000610613709 400282363 /nfs/dbraw/zinc/28/23/63/400282363.db2.gz CZZRWMIAVOBGCI-CYBMUJFWSA-N 0 3 310.344 3.018 20 30 DGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595857044 400282613 /nfs/dbraw/zinc/28/26/13/400282613.db2.gz IAGJGLLNGHFXFW-SFESLNEESA-N 0 3 308.385 3.371 20 30 DGEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H](O)C(F)(F)F ZINC000601301120 400286321 /nfs/dbraw/zinc/28/63/21/400286321.db2.gz RNWUQRSBTBRWTR-COLVAYQJSA-N 0 3 312.335 3.227 20 30 DGEDHN CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000595961422 400296919 /nfs/dbraw/zinc/29/69/19/400296919.db2.gz BXERRLZOVKYEEK-GFCCVEGCSA-N 0 3 308.813 3.120 20 30 DGEDHN Cc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)nc1 ZINC000610770807 400303874 /nfs/dbraw/zinc/30/38/74/400303874.db2.gz IPEXAWMBDREVPJ-UHFFFAOYSA-N 0 3 306.413 3.020 20 30 DGEDHN CN(C(=O)CCN[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000596061468 400307505 /nfs/dbraw/zinc/30/75/05/400307505.db2.gz AIAVXCATHFQXJB-LJQANCHMSA-N 0 3 319.408 3.188 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H](CNCc1ccc(C#N)cc1)C1CCC1 ZINC000596064655 400307619 /nfs/dbraw/zinc/30/76/19/400307619.db2.gz ZQKZIWCNLBWDQZ-KRWDZBQOSA-N 0 3 314.429 3.406 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN[C@@](C)(CO)c1ccccc1 ZINC000610859446 400314897 /nfs/dbraw/zinc/31/48/97/400314897.db2.gz LDXQUNRJLQZRSX-FQEVSTJZSA-N 0 3 308.425 3.485 20 30 DGEDHN Cc1cc(NC(=O)c2ccccc2CC#N)ccc1CN(C)C ZINC000601634762 400320543 /nfs/dbraw/zinc/32/05/43/400320543.db2.gz ZULBYNNGPFAVIS-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000093865693 400258224 /nfs/dbraw/zinc/25/82/24/400258224.db2.gz MZMTYMBIBCOBFL-IBGZPJMESA-N 0 3 310.397 3.300 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595789357 400261927 /nfs/dbraw/zinc/26/19/27/400261927.db2.gz MIQMSAQOJHPYDT-HKUYNNGSSA-N 0 3 314.429 3.218 20 30 DGEDHN CC(C)(NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000610476525 400262263 /nfs/dbraw/zinc/26/22/63/400262263.db2.gz CPGWYYRUXBTWAY-GOSISDBHSA-N 0 3 324.424 3.017 20 30 DGEDHN Cc1ncc([C@@H](C)NCCC(=O)Nc2sccc2C#N)s1 ZINC000601968308 400390131 /nfs/dbraw/zinc/39/01/31/400390131.db2.gz KCUSEWBZOQLKTL-SECBINFHSA-N 0 3 320.443 3.064 20 30 DGEDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000611387989 400390172 /nfs/dbraw/zinc/39/01/72/400390172.db2.gz BMOREDSPEICFTM-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000106274882 400326544 /nfs/dbraw/zinc/32/65/44/400326544.db2.gz OTAWVUAIYIMQMK-HOTGVXAUSA-N 0 3 307.482 3.152 20 30 DGEDHN N#Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000069475551 400332532 /nfs/dbraw/zinc/33/25/32/400332532.db2.gz JBWZTCYTYXXICK-LJQANCHMSA-N 0 3 319.408 3.125 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cccc(C#N)c1 ZINC000611389301 400391205 /nfs/dbraw/zinc/39/12/05/400391205.db2.gz ZNBHZXSJKFAUGT-AWEZNQCLSA-N 0 3 321.380 3.168 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](CN)c1ccccc1 ZINC000579245352 400336641 /nfs/dbraw/zinc/33/66/41/400336641.db2.gz IUROOSMHEBTJHB-SFHVURJKSA-N 0 3 300.446 3.324 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cccc(C#N)c1 ZINC000611389302 400391630 /nfs/dbraw/zinc/39/16/30/400391630.db2.gz ZNBHZXSJKFAUGT-CQSZACIVSA-N 0 3 321.380 3.168 20 30 DGEDHN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(CCC#N)CC1 ZINC000579588097 400340878 /nfs/dbraw/zinc/34/08/78/400340878.db2.gz WPDUSHVKVDZLIG-XHSDSOJGSA-N 0 3 305.466 3.180 20 30 DGEDHN Cc1ncc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)s1 ZINC000601771707 400346907 /nfs/dbraw/zinc/34/69/07/400346907.db2.gz KLPHFVZKONCZCV-IUODEOHRSA-N 0 3 313.426 3.401 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111504176 400366325 /nfs/dbraw/zinc/36/63/25/400366325.db2.gz UQVVBNPYTIMDRP-MRXNPFEDSA-N 0 3 315.461 3.115 20 30 DGEDHN COc1cccc([C@H](C)N2CCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000590592919 400399556 /nfs/dbraw/zinc/39/95/56/400399556.db2.gz CSIQATBFDYULMG-IRXDYDNUSA-N 0 3 315.461 3.314 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(-n3cccc3)c2)nc(C)n1 ZINC000041562672 400409753 /nfs/dbraw/zinc/40/97/53/400409753.db2.gz GSQKZKMVZABOGF-QGZVFWFLSA-N 0 3 316.364 3.374 20 30 DGEDHN N#Cc1ccc(CNC2(CO)CCCCC2)c(Br)c1 ZINC000611500661 400411178 /nfs/dbraw/zinc/41/11/78/400411178.db2.gz JFFNRYOKVLMTJU-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN N#CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000041952567 400418369 /nfs/dbraw/zinc/41/83/69/400418369.db2.gz MEROUOKWLRNLFQ-KRWDZBQOSA-N 0 3 311.429 3.024 20 30 DGEDHN C[C@H](CCC#N)CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000602430083 400459601 /nfs/dbraw/zinc/45/96/01/400459601.db2.gz KPIFEZFGUPVLOW-CQSZACIVSA-N 0 3 312.417 3.319 20 30 DGEDHN CC(C)C[C@@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000120744891 400448027 /nfs/dbraw/zinc/44/80/27/400448027.db2.gz OINPOHOYHNSHIE-WMZOPIPTSA-N 0 3 305.466 3.086 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000617779866 400452527 /nfs/dbraw/zinc/45/25/27/400452527.db2.gz JUMXJRILCUPXAA-AEFFLSMTSA-N 0 3 300.446 3.494 20 30 DGEDHN COc1cc(C)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602568016 400499509 /nfs/dbraw/zinc/49/95/09/400499509.db2.gz HWGGZFSYROZCAD-OAHLLOKOSA-N 0 3 302.418 3.192 20 30 DGEDHN C[C@H](CCC#N)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000602570904 400500593 /nfs/dbraw/zinc/50/05/93/400500593.db2.gz YBLIYYBYHOXURS-SNVBAGLBSA-N 0 3 312.316 3.046 20 30 DGEDHN C[C@]1(C#N)CCCN(CCCCN2CCC[C@](C)(C#N)C2)C1 ZINC000612161344 400501487 /nfs/dbraw/zinc/50/14/87/400501487.db2.gz SGSMULSWAKCAPQ-QZTJIDSGSA-N 0 3 302.466 3.018 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000596803210 400502790 /nfs/dbraw/zinc/50/27/90/400502790.db2.gz LSMIQQQXVRDHCB-AWEZNQCLSA-N 0 3 314.433 3.109 20 30 DGEDHN CC(C)(CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCCCC1 ZINC000122520445 400461646 /nfs/dbraw/zinc/46/16/46/400461646.db2.gz BQBARCDAVGXQAF-UHFFFAOYSA-N 0 3 319.836 3.206 20 30 DGEDHN CCN(Cc1cccc(C#N)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000602439528 400462765 /nfs/dbraw/zinc/46/27/65/400462765.db2.gz DNLXMILIBGFFHC-HNNXBMFYSA-N 0 3 309.413 3.415 20 30 DGEDHN Cc1cc(C#N)ccc1-c1ccccc1CN1CCN(C)CC1 ZINC000596638683 400468353 /nfs/dbraw/zinc/46/83/53/400468353.db2.gz AEZMJMCIWCROLY-UHFFFAOYSA-N 0 3 305.425 3.281 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)[C@@H]1SC ZINC000590962132 400469637 /nfs/dbraw/zinc/46/96/37/400469637.db2.gz MFRUXXFJUPQIKF-NXOAAHMSSA-N 0 3 302.443 3.044 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCC(C)CC1 ZINC000123888632 400472193 /nfs/dbraw/zinc/47/21/93/400472193.db2.gz JIGCGMMCGQYUOO-ZDUSSCGKSA-N 0 3 319.836 3.062 20 30 DGEDHN CCC(C#N)(CC)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000602492576 400479243 /nfs/dbraw/zinc/47/92/43/400479243.db2.gz MYCPEJMLBJCJIE-UHFFFAOYSA-N 0 3 313.323 3.433 20 30 DGEDHN N#CCCN(C(=O)CN1CC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000591061908 400481211 /nfs/dbraw/zinc/48/12/11/400481211.db2.gz NJHIMYQKTMZWJI-QGZVFWFLSA-N 0 3 311.429 3.055 20 30 DGEDHN C#Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000043985203 400482457 /nfs/dbraw/zinc/48/24/57/400482457.db2.gz CDNKVFBYPBJKCN-UHFFFAOYSA-N 0 3 321.424 3.264 20 30 DGEDHN COCc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602514609 400485093 /nfs/dbraw/zinc/48/50/93/400485093.db2.gz OIBJCKFLBZZSJM-HNNXBMFYSA-N 0 3 302.418 3.022 20 30 DGEDHN CCCOc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602516514 400486187 /nfs/dbraw/zinc/48/61/87/400486187.db2.gz MPCWFXNVBCFNSF-HNNXBMFYSA-N 0 3 317.433 3.059 20 30 DGEDHN N#CCc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000612101924 400492456 /nfs/dbraw/zinc/49/24/56/400492456.db2.gz YPOQJDRUXJZABR-UHFFFAOYSA-N 0 3 302.381 3.228 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H](CCCO)c1ccccc1 ZINC000602551312 400494953 /nfs/dbraw/zinc/49/49/53/400494953.db2.gz IAXPTMMCTLGYOI-SJLPKXTDSA-N 0 3 316.445 3.189 20 30 DGEDHN CC(C)COc1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602561460 400497535 /nfs/dbraw/zinc/49/75/35/400497535.db2.gz GVSUZESVYPZIRN-UHFFFAOYSA-N 0 3 309.413 3.320 20 30 DGEDHN C[C@](CO)(NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602783922 400571630 /nfs/dbraw/zinc/57/16/30/400571630.db2.gz SVOJDXLARSLSQN-CQSZACIVSA-N 0 3 312.335 3.196 20 30 DGEDHN N#CCC1(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000602789116 400574808 /nfs/dbraw/zinc/57/48/08/400574808.db2.gz XWDFXMSKNIJNON-UHFFFAOYSA-N 0 3 315.392 3.170 20 30 DGEDHN CCSc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccn1 ZINC000602626018 400515234 /nfs/dbraw/zinc/51/52/34/400515234.db2.gz WQRLNYRJAVBGDF-CQSZACIVSA-N 0 3 319.474 3.382 20 30 DGEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCO2 ZINC000602800021 400577718 /nfs/dbraw/zinc/57/77/18/400577718.db2.gz IQYSAZHEPMPGJD-KRWDZBQOSA-N 0 3 300.402 3.438 20 30 DGEDHN CO[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000602641911 400520721 /nfs/dbraw/zinc/52/07/21/400520721.db2.gz VBMMMRSFGJBCBY-AZUAARDMSA-N 0 3 306.409 3.393 20 30 DGEDHN C[C@H](CCC#N)CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000602643333 400522260 /nfs/dbraw/zinc/52/22/60/400522260.db2.gz DYCCZRWPQILQMG-YPMHNXCESA-N 0 3 316.323 3.148 20 30 DGEDHN COC[C@@H](CNCc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602675329 400535080 /nfs/dbraw/zinc/53/50/80/400535080.db2.gz MGZRSFDMVQZTIB-CQSZACIVSA-N 0 3 315.804 3.126 20 30 DGEDHN N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)s1 ZINC000591535455 400536484 /nfs/dbraw/zinc/53/64/84/400536484.db2.gz QAHQQBFBYNOISV-INIZCTEOSA-N 0 3 317.458 3.033 20 30 DGEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1O ZINC000597075088 400552397 /nfs/dbraw/zinc/55/23/97/400552397.db2.gz ULUQXFWHSFXHJQ-ZWKOTPCHSA-N 0 3 312.457 3.471 20 30 DGEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000591728228 400552693 /nfs/dbraw/zinc/55/26/93/400552693.db2.gz CCVYZJHQZQFECH-CABCVRRESA-N 0 3 316.836 3.199 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCCC(=O)Nc1cccc(F)c1 ZINC000591763826 400554527 /nfs/dbraw/zinc/55/45/27/400554527.db2.gz LCYASRMKUALFBR-GOSISDBHSA-N 0 3 323.371 3.303 20 30 DGEDHN N#CCC1(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000602807836 400580226 /nfs/dbraw/zinc/58/02/26/400580226.db2.gz WTJINZSTQZQIIB-LBPRGKRZSA-N 0 3 312.339 3.233 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000602997679 400624142 /nfs/dbraw/zinc/62/41/42/400624142.db2.gz OUVXTSVFRDXIAG-UAGQMJEPSA-N 0 3 304.821 3.337 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C(N)=O)c1 ZINC000047740493 400630011 /nfs/dbraw/zinc/63/00/11/400630011.db2.gz OOQQTWFUHCHREC-UHFFFAOYSA-N 0 3 307.397 3.069 20 30 DGEDHN C[C@H]1CN(CC2(CC#N)CC2)C(C)(C)CN1CC1(CC#N)CC1 ZINC000602832850 400587032 /nfs/dbraw/zinc/58/70/32/400587032.db2.gz RUVOILXNQBKDNW-INIZCTEOSA-N 0 3 314.477 3.159 20 30 DGEDHN N#CCC1(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000602834838 400587127 /nfs/dbraw/zinc/58/71/27/400587127.db2.gz DXZKAWGMXCKTMA-AWEZNQCLSA-N 0 3 312.335 3.412 20 30 DGEDHN N#CCC1(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000602842923 400589655 /nfs/dbraw/zinc/58/96/55/400589655.db2.gz SFDVJZFDVFXLOL-ZDUSSCGKSA-N 0 3 316.367 3.361 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1C2CCC1CC2)C(C)C ZINC000612728670 400592346 /nfs/dbraw/zinc/59/23/46/400592346.db2.gz LGNGZKRPXPTBDD-JCYILVPMSA-N 0 3 305.466 3.021 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000592080255 400604519 /nfs/dbraw/zinc/60/45/19/400604519.db2.gz VBUZEQXXIWNWKV-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000613107055 400655185 /nfs/dbraw/zinc/65/51/85/400655185.db2.gz REZTZMIOVKLUAF-RHSMWYFYSA-N 0 3 313.445 3.246 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000592481675 400656994 /nfs/dbraw/zinc/65/69/94/400656994.db2.gz KTYNRDGTFPRYDU-JFIYKMOQSA-N 0 3 319.493 3.295 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)n1cc(CNC2CCCCC2)nn1 ZINC000603234329 400658724 /nfs/dbraw/zinc/65/87/24/400658724.db2.gz NMGBVABUUVUMQD-CQSZACIVSA-N 0 3 309.417 3.181 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N(CC)CC)cc1 ZINC000597691949 400661532 /nfs/dbraw/zinc/66/15/32/400661532.db2.gz JIPARINELHTBJN-QAPCUYQASA-N 0 3 315.461 3.298 20 30 DGEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc2c1OCO2 ZINC000618741752 400680188 /nfs/dbraw/zinc/68/01/88/400680188.db2.gz MGJQQLUBVMBGNZ-MRXNPFEDSA-N 0 3 322.364 3.073 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000597859997 400681550 /nfs/dbraw/zinc/68/15/50/400681550.db2.gz JKNXZSXJVFFQOI-DLBZAZTESA-N 0 3 313.445 3.063 20 30 DGEDHN CCC1CCC(N(CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)CC1 ZINC000052103499 400719265 /nfs/dbraw/zinc/71/92/65/400719265.db2.gz UGTMXKXNTTXKGD-KJXMEXGPSA-N 0 3 317.477 3.228 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCCC2)CC1 ZINC000158416793 400723990 /nfs/dbraw/zinc/72/39/90/400723990.db2.gz FIOJCNCFUVAGSP-MRXNPFEDSA-N 0 3 317.477 3.374 20 30 DGEDHN N#Cc1cccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000603865083 400726631 /nfs/dbraw/zinc/72/66/31/400726631.db2.gz QFBXMRFUFRLCJY-RTBURBONSA-N 0 3 303.409 3.126 20 30 DGEDHN C[C@@H](C#N)N(C(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000598137774 400749918 /nfs/dbraw/zinc/74/99/18/400749918.db2.gz RBIHBBPUFNKEBX-HNNXBMFYSA-N 0 3 311.429 3.189 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)nnc2ccccc21)c1ccccc1 ZINC000077210601 400695983 /nfs/dbraw/zinc/69/59/83/400695983.db2.gz NSHMLUTZHUURJS-SFHVURJKSA-N 0 3 317.396 3.216 20 30 DGEDHN CC(C)CCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000077211854 400696278 /nfs/dbraw/zinc/69/62/78/400696278.db2.gz AXZNQNUHHKZGFF-HNNXBMFYSA-N 0 3 319.424 3.439 20 30 DGEDHN N#Cc1ccc(CN2CCCN(CCC(F)(F)F)CC2)cc1 ZINC000077248240 400701987 /nfs/dbraw/zinc/70/19/87/400701987.db2.gz RRESITQGEUIEAU-UHFFFAOYSA-N 0 3 311.351 3.018 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000078515761 400806611 /nfs/dbraw/zinc/80/66/11/400806611.db2.gz CJJNPTGRRZGCRA-SFHVURJKSA-N 0 3 309.388 3.061 20 30 DGEDHN CCN(CCC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619282377 400813519 /nfs/dbraw/zinc/81/35/19/400813519.db2.gz RNJDMFSYTSZMJY-AWEZNQCLSA-N 0 3 323.318 3.041 20 30 DGEDHN COc1cc(CNCc2ccc(C#N)cc2)ccc1OC(F)F ZINC000053097867 400765195 /nfs/dbraw/zinc/76/51/95/400765195.db2.gz RHABGEXVXDNXHW-UHFFFAOYSA-N 0 3 318.323 3.458 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000604393854 400772123 /nfs/dbraw/zinc/77/21/23/400772123.db2.gz IAZGXOZUHASPAB-ZIFCJYIRSA-N 0 3 312.457 3.454 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604468337 400778199 /nfs/dbraw/zinc/77/81/99/400778199.db2.gz LOOVBYFQBNLROM-QFBILLFUSA-N 0 3 324.424 3.185 20 30 DGEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000604484167 400779114 /nfs/dbraw/zinc/77/91/14/400779114.db2.gz ABLMNHSIRRNXAW-LJQANCHMSA-N 0 3 308.381 3.480 20 30 DGEDHN Cc1nnc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c(C#N)c1C ZINC000053580409 400791876 /nfs/dbraw/zinc/79/18/76/400791876.db2.gz DPHGOONMIHMMGA-DOTOQJQBSA-N 0 3 321.428 3.213 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000181111217 400887752 /nfs/dbraw/zinc/88/77/52/400887752.db2.gz LQMKVCLXBOMSAY-IRXDYDNUSA-N 0 3 307.482 3.391 20 30 DGEDHN N#CC1(CCCN2CC(c3nc4ccccc4[nH]3)C2)CCOCC1 ZINC000619621255 400874126 /nfs/dbraw/zinc/87/41/26/400874126.db2.gz BQPQMAVQQSEART-UHFFFAOYSA-N 0 3 324.428 3.063 20 30 DGEDHN C=CCNC(=O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000181506159 400888474 /nfs/dbraw/zinc/88/84/74/400888474.db2.gz JJLMNJMQPNPBGN-OAHLLOKOSA-N 0 3 314.351 3.294 20 30 DGEDHN COc1cc(CN(C)C[C@@H](O)CC(C)(C)C#N)ccc1SC ZINC000598588758 400837632 /nfs/dbraw/zinc/83/76/32/400837632.db2.gz CCSHBUSCYZXKGC-AWEZNQCLSA-N 0 3 322.474 3.150 20 30 DGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)CC(C)(C)C#N)CCC2 ZINC000598599294 400841431 /nfs/dbraw/zinc/84/14/31/400841431.db2.gz ZGQJIVPPOAFPAJ-JSGCOSHPSA-N 0 3 321.490 3.315 20 30 DGEDHN CC[C@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000593417047 400843244 /nfs/dbraw/zinc/84/32/44/400843244.db2.gz JDVCPHCFNVXALN-SJLPKXTDSA-N 0 3 313.445 3.126 20 30 DGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598612738 400844007 /nfs/dbraw/zinc/84/40/07/400844007.db2.gz CYIDZAWCLMJMFN-JKSUJKDBSA-N 0 3 324.852 3.260 20 30 DGEDHN C[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CCc2ccc(F)cc21 ZINC000598622939 400845759 /nfs/dbraw/zinc/84/57/59/400845759.db2.gz PJZNLFTZTZWOFY-XJKSGUPXSA-N 0 3 304.409 3.088 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000598699460 400859720 /nfs/dbraw/zinc/85/97/20/400859720.db2.gz FBWIANIEIPFSEI-SMDDNHRTSA-N 0 3 308.809 3.054 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@H](O)CC(C)(C)C#N ZINC000598713824 400863443 /nfs/dbraw/zinc/86/34/43/400863443.db2.gz DIAWYHYNINWJLU-HIFRSBDPSA-N 0 3 304.434 3.492 20 30 DGEDHN Cc1cccc2c1C[C@H](N[C@H]1CCc3ccc(C#N)cc31)CO2 ZINC000599063849 400945108 /nfs/dbraw/zinc/94/51/08/400945108.db2.gz JRDGDWCZHLWRRU-LPHOPBHVSA-N 0 3 304.393 3.447 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)c1 ZINC000182939146 400898570 /nfs/dbraw/zinc/89/85/70/400898570.db2.gz HFDYAKXEHRPQGJ-INIZCTEOSA-N 0 3 313.445 3.297 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185656468 400905698 /nfs/dbraw/zinc/90/56/98/400905698.db2.gz CNGLHGPJXRAXKN-ZWNOBZJWSA-N 0 3 319.371 3.040 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H](CC)CO1 ZINC000593790692 400910891 /nfs/dbraw/zinc/91/08/91/400910891.db2.gz ISYVXSFRSVJRIA-FGTMMUONSA-N 0 3 314.429 3.175 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1 ZINC000619902197 400916521 /nfs/dbraw/zinc/91/65/21/400916521.db2.gz BUZPHWBYFRHQFN-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000593971041 400931333 /nfs/dbraw/zinc/93/13/33/400931333.db2.gz CYMZOAFBKQDJPC-OXJNMPFZSA-N 0 3 321.424 3.114 20 30 DGEDHN N#Cc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)nc1 ZINC000593976196 400931832 /nfs/dbraw/zinc/93/18/32/400931832.db2.gz FFTSDEZAPBSQKG-HXUWFJFHSA-N 0 3 320.440 3.270 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000080231088 400933965 /nfs/dbraw/zinc/93/39/65/400933965.db2.gz NYZMIICNRJOPDH-QAPCUYQASA-N 0 3 306.413 3.418 20 30 DGEDHN CN(C)[C@H](CNc1ncccc1C#N)c1ccc(Cl)cc1 ZINC000080691625 400981449 /nfs/dbraw/zinc/98/14/49/400981449.db2.gz OQIBEMNTVFLOLZ-OAHLLOKOSA-N 0 3 300.793 3.321 20 30 DGEDHN Cc1cc(NC[C@H]2CCN2C2CCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000599164791 400981636 /nfs/dbraw/zinc/98/16/36/400981636.db2.gz MUOGLXAZTFVWCN-OAHLLOKOSA-N 0 3 314.389 3.204 20 30 DGEDHN Cc1csc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594103692 400988332 /nfs/dbraw/zinc/98/83/32/400988332.db2.gz GUFZSCYRKFMNES-UONOGXRCSA-N 0 3 318.446 3.067 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594124464 400996537 /nfs/dbraw/zinc/99/65/37/400996537.db2.gz WHFOXQIVKVRJCE-DLBZAZTESA-N 0 3 312.417 3.005 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC000594046114 400961661 /nfs/dbraw/zinc/96/16/61/400961661.db2.gz PNRYVDOZSWLDLS-KRWDZBQOSA-N 0 3 305.393 3.133 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000594059891 400970113 /nfs/dbraw/zinc/97/01/13/400970113.db2.gz LAJUEENSNUYTHV-UHFFFAOYSA-N 0 3 314.433 3.091 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000057137757 400974071 /nfs/dbraw/zinc/97/40/71/400974071.db2.gz SJRMBTZNIPXHTF-INIZCTEOSA-N 0 3 324.468 3.088 20 30 DGEDHN Cc1cccc(CN(C)C[C@@H](O)COc2ccccc2C#N)c1C ZINC000599428930 401048296 /nfs/dbraw/zinc/04/82/96/401048296.db2.gz MORCXASUMCFEHH-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000615351991 401060405 /nfs/dbraw/zinc/06/04/05/401060405.db2.gz SMZAYBPEXADQJY-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)N1CCCCCC1 ZINC000081408447 401062828 /nfs/dbraw/zinc/06/28/28/401062828.db2.gz BKOWBJCTZZVTEP-CRAIPNDOSA-N 0 3 305.466 3.230 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCCC(F)(F)CC2)cc1 ZINC000599553224 401074198 /nfs/dbraw/zinc/07/41/98/401074198.db2.gz VOCQWBHJRIWDIK-UHFFFAOYSA-N 0 3 307.344 3.008 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000081534096 401075673 /nfs/dbraw/zinc/07/56/73/401075673.db2.gz QTWJIFPIOLZCGB-HXUWFJFHSA-N 0 3 305.425 3.265 20 30 DGEDHN COc1ccc([C@@H](CCO)NCc2ccc(C)c(C#N)c2)cc1 ZINC000599348434 401029701 /nfs/dbraw/zinc/02/97/01/401029701.db2.gz KWOPTAJLRZEEMW-LJQANCHMSA-N 0 3 310.397 3.089 20 30 DGEDHN CCOc1ccccc1[C@H](CC)NC[C@H](O)CC1(C#N)CC1 ZINC000599350207 401029897 /nfs/dbraw/zinc/02/98/97/401029897.db2.gz NDMDCDXJWBBYCW-ZBFHGGJFSA-N 0 3 302.418 3.181 20 30 DGEDHN Cc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C#N ZINC000599354526 401032233 /nfs/dbraw/zinc/03/22/33/401032233.db2.gz PVKAWJILKXTJFC-RCDICMHDSA-N 0 3 312.438 3.455 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)cc1Cl ZINC000615230545 401035182 /nfs/dbraw/zinc/03/51/82/401035182.db2.gz CCLQWFPYJGHPEO-FZKQIMNGSA-N 0 3 314.816 3.466 20 30 DGEDHN Cc1ccc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1C#N ZINC000599431149 401047420 /nfs/dbraw/zinc/04/74/20/401047420.db2.gz SLHQNDXJSUJIOT-SFHVURJKSA-N 0 3 308.429 3.226 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cc(C)ccc1C ZINC000599645528 401101342 /nfs/dbraw/zinc/10/13/42/401101342.db2.gz PHENIUYWUBMQAM-RDJZCZTQSA-N 0 3 313.445 3.295 20 30 DGEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccc2ccccc2c1 ZINC000599672422 401107576 /nfs/dbraw/zinc/10/75/76/401107576.db2.gz DAIYITRNBCUDAN-UHFFFAOYSA-N 0 3 323.440 3.427 20 30 DGEDHN N#CCc1cccc2c1CCN(C[C@@H](O)CCc1ccccc1)C2 ZINC000599676481 401110056 /nfs/dbraw/zinc/11/00/56/401110056.db2.gz DLFGRUWLQCHLSY-FQEVSTJZSA-N 0 3 320.436 3.104 20 30 DGEDHN COC[C@H](C)N(Cc1ccnc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000599683307 401115142 /nfs/dbraw/zinc/11/51/42/401115142.db2.gz QVPLTILSGOXVHX-MGPUTAFESA-N 0 3 321.424 3.478 20 30 DGEDHN COC(=O)C1C[C@H](C)N(Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000599699308 401120361 /nfs/dbraw/zinc/12/03/61/401120361.db2.gz YBCFNUOFQGYPJX-KBPBESRZSA-N 0 3 300.402 3.029 20 30 DGEDHN CCN(C[C@H](O)COc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477349 401121897 /nfs/dbraw/zinc/12/18/97/401121897.db2.gz COWYPHXCFUSQPZ-APWZRJJASA-N 0 3 324.424 3.381 20 30 DGEDHN N#CC1(Cn2cc(CNC3CCCCC3)nn2)CCCCC1 ZINC000594657770 401142508 /nfs/dbraw/zinc/14/25/08/401142508.db2.gz DRWLHEARWHDGTN-UHFFFAOYSA-N 0 3 301.438 3.174 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1cccc(C)c1)C(C)C ZINC000599626395 401094190 /nfs/dbraw/zinc/09/41/90/401094190.db2.gz FNKXXONAJPHPGS-QFBILLFUSA-N 0 3 315.461 3.290 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2nccc3ccsc32)CC1 ZINC000625323147 401098541 /nfs/dbraw/zinc/09/85/41/401098541.db2.gz PQWYSRQMVMWXAT-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cc(C)ccc1C ZINC000599640631 401100384 /nfs/dbraw/zinc/10/03/84/401100384.db2.gz LNKZQHZBROQIQN-HKUYNNGSSA-N 0 3 313.445 3.153 20 30 DGEDHN C[C@@H](NCCOCC(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000615795737 401153869 /nfs/dbraw/zinc/15/38/69/401153869.db2.gz CCPODCAMRBMFHI-SNVBAGLBSA-N 0 3 322.277 3.423 20 30 DGEDHN N#Cc1cccc(CNC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000063915320 401224290 /nfs/dbraw/zinc/22/42/90/401224290.db2.gz WPBDJNDCWTWPLT-UHFFFAOYSA-N 0 3 319.408 3.084 20 30 DGEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000090450921 401266895 /nfs/dbraw/zinc/26/68/95/401266895.db2.gz KUEPIENDRDLDJV-CYBMUJFWSA-N 0 3 302.418 3.160 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000630726727 401317635 /nfs/dbraw/zinc/31/76/35/401317635.db2.gz DPGPVYYULYZURW-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC[C@@H](O)C(C)C)cc1OC ZINC000623421614 401513422 /nfs/dbraw/zinc/51/34/22/401513422.db2.gz SINDBTXKHWHQAA-CQSZACIVSA-N 0 3 313.825 3.020 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)[C@@H](CC)CO)cc1OC ZINC000628296970 401569884 /nfs/dbraw/zinc/56/98/84/401569884.db2.gz FEDACIAHUJLNAU-ZDUSSCGKSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637022321 401608568 /nfs/dbraw/zinc/60/85/68/401608568.db2.gz DTQLSHAUMANDRX-AWEZNQCLSA-N 0 3 319.453 3.016 20 30 DGEDHN Cc1ccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000329644019 292211355 /nfs/dbraw/zinc/21/13/55/292211355.db2.gz DCOMDHHXVUTDQF-YJBOKZPZSA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1ccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000329644019 292211356 /nfs/dbraw/zinc/21/13/56/292211356.db2.gz DCOMDHHXVUTDQF-YJBOKZPZSA-N 0 3 324.428 3.327 20 30 DGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C\CN(C)C ZINC000492971062 286793637 /nfs/dbraw/zinc/79/36/37/286793637.db2.gz FHQWCUUJKVJAKW-XURPKSDJSA-N 0 3 303.431 3.137 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1F ZINC000365267487 287116177 /nfs/dbraw/zinc/11/61/77/287116177.db2.gz XJHASHXXMYUDTP-ZBFHGGJFSA-N 0 3 302.393 3.336 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cc1F ZINC000365267480 287116219 /nfs/dbraw/zinc/11/62/19/287116219.db2.gz XJHASHXXMYUDTP-GDBMZVCRSA-N 0 3 302.393 3.336 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(SC)ccc2C)CC1 ZINC000171720272 432164660 /nfs/dbraw/zinc/16/46/60/432164660.db2.gz XFTWLUTYRCFBJC-UHFFFAOYSA-N 0 3 304.459 3.097 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc(Cl)cc2)CC1 ZINC000171721704 432165732 /nfs/dbraw/zinc/16/57/32/432165732.db2.gz CPNMWKGJNVBPGK-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000171740022 432166315 /nfs/dbraw/zinc/16/63/15/432166315.db2.gz YRXUTPWPEJBHPV-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN C[C@H](O)C[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000269417007 432170789 /nfs/dbraw/zinc/17/07/89/432170789.db2.gz KRYPMMZUQQCWHT-KSSFIOAISA-N 0 3 312.388 3.342 20 30 DGEDHN COc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1C#N ZINC000246837206 432170877 /nfs/dbraw/zinc/17/08/77/432170877.db2.gz ONPMXRGASDACMY-NVXWUHKLSA-N 0 3 302.443 3.427 20 30 DGEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000190609011 432174961 /nfs/dbraw/zinc/17/49/61/432174961.db2.gz KZAKAAWNBWSHMV-BEFAXECRSA-N 0 3 319.408 3.010 20 30 DGEDHN Cn1cc(CNCCSc2ccc(Cl)cc2)cc1C#N ZINC000190697084 432183901 /nfs/dbraw/zinc/18/39/01/432183901.db2.gz DTFPVAJVBCFULO-UHFFFAOYSA-N 0 3 305.834 3.432 20 30 DGEDHN Cn1cc(CNCc2ccc(OCC(F)(F)F)cc2)cc1C#N ZINC000190716240 432185467 /nfs/dbraw/zinc/18/54/67/432185467.db2.gz UDCBYUVJCVJAAM-UHFFFAOYSA-N 0 3 323.318 3.128 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000150745934 432188658 /nfs/dbraw/zinc/18/86/58/432188658.db2.gz NUMQXCQKIDZUHA-INIZCTEOSA-N 0 3 307.482 3.295 20 30 DGEDHN C[C@H]1C[C@H](N(C)c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000150876489 432199002 /nfs/dbraw/zinc/19/90/02/432199002.db2.gz VTLQZEHHUPHIGF-QFBILLFUSA-N 0 3 320.440 3.443 20 30 DGEDHN Cn1cc(CNCCOc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000190835441 432193818 /nfs/dbraw/zinc/19/38/18/432193818.db2.gz IZNVHIQPXIOITO-UHFFFAOYSA-N 0 3 323.318 3.084 20 30 DGEDHN COc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190895606 432198266 /nfs/dbraw/zinc/19/82/66/432198266.db2.gz VNYLFCHRBMNXEK-CQSZACIVSA-N 0 3 303.321 3.128 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000130949967 196125789 /nfs/dbraw/zinc/12/57/89/196125789.db2.gz ILINADYDIUKPLP-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(F)cc1 ZINC000172647389 432225527 /nfs/dbraw/zinc/22/55/27/432225527.db2.gz ANIPCNBFBHGDGY-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H]2CCC[C@H]2C1 ZINC000247378760 432226177 /nfs/dbraw/zinc/22/61/77/432226177.db2.gz PQTBSHVAPZNLDP-JBWWOZQKSA-N 0 3 317.477 3.038 20 30 DGEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000191126339 432223428 /nfs/dbraw/zinc/22/34/28/432223428.db2.gz CJPZIZMFOTVVSI-SJCJKPOMSA-N 0 3 317.820 3.416 20 30 DGEDHN N#Cc1cccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000269935088 432224030 /nfs/dbraw/zinc/22/40/30/432224030.db2.gz BIEDSMDLLVTAJA-HXUWFJFHSA-N 0 3 306.409 3.331 20 30 DGEDHN N#Cc1cccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000269935087 432224346 /nfs/dbraw/zinc/22/43/46/432224346.db2.gz BIEDSMDLLVTAJA-FQEVSTJZSA-N 0 3 306.409 3.331 20 30 DGEDHN C[C@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC000126912646 227001476 /nfs/dbraw/zinc/00/14/76/227001476.db2.gz DZJBNVQDOSTIQB-GPJFCIFZSA-N 0 3 306.409 3.108 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152673732 227075060 /nfs/dbraw/zinc/07/50/60/227075060.db2.gz PQTBSHVAPZNLDP-RVKOJVRFSA-N 0 3 317.477 3.038 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291296515 222293170 /nfs/dbraw/zinc/29/31/70/222293170.db2.gz QDTNWUGBQIYXJE-NRFANRHFSA-N 0 3 320.436 3.375 20 30 DGEDHN C[C@@H](c1ccncc1)N1CCC(/N=C/c2ccccc2O)CC1 ZINC000158272650 228236871 /nfs/dbraw/zinc/23/68/71/228236871.db2.gz MZHGONKIAZLXNS-HBBMIWKISA-N 0 3 309.413 3.432 20 30 DGEDHN Cc1c([C@@H](C)NCCCCC#N)nnn1-c1ccc(F)cc1 ZINC000178646024 228344651 /nfs/dbraw/zinc/34/46/51/228344651.db2.gz JAWZJDBIFHISDV-GFCCVEGCSA-N 0 3 301.369 3.059 20 30 DGEDHN Cc1c2ccccc2oc1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000183597782 228373949 /nfs/dbraw/zinc/37/39/49/228373949.db2.gz HKERSIGDGGMMHI-AWEZNQCLSA-N 0 3 313.401 3.154 20 30 DGEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000183713911 228374853 /nfs/dbraw/zinc/37/48/53/228374853.db2.gz RFTDUWHFPGXEKB-CRAIPNDOSA-N 0 3 301.434 3.009 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1C ZINC000330645997 228999478 /nfs/dbraw/zinc/99/94/78/228999478.db2.gz LMJZVZUYLLHCHF-UONOGXRCSA-N 0 3 319.449 3.171 20 30 DGEDHN CCn1nc(C)c([NH+]=C([O-])Nc2c(C)cc(C)nc2C)c1C ZINC000331345374 229030410 /nfs/dbraw/zinc/03/04/10/229030410.db2.gz VJIBGJHQEZAXRC-UHFFFAOYSA-N 0 3 301.394 3.498 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2nccc3ccccc32)cc(C)n1 ZINC000337531231 229049607 /nfs/dbraw/zinc/04/96/07/229049607.db2.gz VFGFTZBWQSREQX-INIZCTEOSA-N 0 3 317.348 3.437 20 30 DGEDHN COCCOc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1OC ZINC000345943293 229161435 /nfs/dbraw/zinc/16/14/35/229161435.db2.gz WIKMDQSMPHWCMW-CQSZACIVSA-N 0 3 320.433 3.311 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000347964196 229196166 /nfs/dbraw/zinc/19/61/66/229196166.db2.gz VQYZSBWZLHYWEW-MRXNPFEDSA-N 0 3 323.783 3.210 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC23CCCC3)cc1 ZINC000348511006 229203042 /nfs/dbraw/zinc/20/30/42/229203042.db2.gz RIECFEBLHMYNOI-SJORKVTESA-N 0 3 307.397 3.080 20 30 DGEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Br ZINC000349797101 229218005 /nfs/dbraw/zinc/21/80/05/229218005.db2.gz ANHYDPFHHCKYFU-ZYHUDNBSSA-N 0 3 309.207 3.240 20 30 DGEDHN N#CC(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccncn1 ZINC000354459460 229295478 /nfs/dbraw/zinc/29/54/78/229295478.db2.gz DEQRXHNKIARZCB-OAHLLOKOSA-N 0 3 316.364 3.327 20 30 DGEDHN N#CCCCCN[C@H](CCO)c1ccccc1Br ZINC000359541554 229380140 /nfs/dbraw/zinc/38/01/40/229380140.db2.gz RPYAUWKLSUHJOD-CQSZACIVSA-N 0 3 311.223 3.156 20 30 DGEDHN CC(C#N)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000358274024 229358797 /nfs/dbraw/zinc/35/87/97/229358797.db2.gz LAWFWKDHKZWKRS-LLVKDONJSA-N 0 3 308.303 3.481 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000302045419 230061019 /nfs/dbraw/zinc/06/10/19/230061019.db2.gz XWSFBHORGGXIBN-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN Cc1cc(N[C@H](C)CN2CCCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413085771 230127784 /nfs/dbraw/zinc/12/77/84/230127784.db2.gz BRYXRFSYJSQVSA-CYBMUJFWSA-N 0 3 302.378 3.061 20 30 DGEDHN Cc1ccc(C#N)c(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000302157590 230132580 /nfs/dbraw/zinc/13/25/80/230132580.db2.gz FROXNZGKKOIHTG-KDOFPFPSSA-N 0 3 306.413 3.194 20 30 DGEDHN N#Cc1cc(Br)ccc1NC1CCN(C2CC2)CC1 ZINC000302188955 230151404 /nfs/dbraw/zinc/15/14/04/230151404.db2.gz QJPDRHGXBDVIRN-UHFFFAOYSA-N 0 3 320.234 3.359 20 30 DGEDHN CCc1cccc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000324145711 263904838 /nfs/dbraw/zinc/90/48/38/263904838.db2.gz AEWCKOBWKXEZBZ-DNVCBOLYSA-N 0 3 324.424 3.211 20 30 DGEDHN C[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000346133131 263966501 /nfs/dbraw/zinc/96/65/01/263966501.db2.gz OZAPVRSZOOTFFT-CYBMUJFWSA-N 0 3 317.408 3.187 20 30 DGEDHN C[C@H]1CSC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000347130354 264162199 /nfs/dbraw/zinc/16/21/99/264162199.db2.gz KAHSFGFNBUVVJN-ZANVPECISA-N 0 3 311.248 3.162 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCOC1 ZINC000348261193 264377335 /nfs/dbraw/zinc/37/73/35/264377335.db2.gz LNCSGSDXTLLZGB-FZMZJTMJSA-N 0 3 323.234 3.225 20 30 DGEDHN C[C@H](NC[C@](C)(CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000348285886 264382838 /nfs/dbraw/zinc/38/28/38/264382838.db2.gz XKOGMZBUJPSDGL-IFXJQAMLSA-N 0 3 312.388 3.298 20 30 DGEDHN CC[C@H](C)N[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccco1 ZINC000359537713 270004319 /nfs/dbraw/zinc/00/43/19/270004319.db2.gz GYMXKFWWZRKPER-BBRMVZONSA-N 0 3 311.385 3.010 20 30 DGEDHN N#Cc1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1F ZINC000361028481 270004506 /nfs/dbraw/zinc/00/45/06/270004506.db2.gz HVAVOFCBWIIRGG-GOEBONIOSA-N 0 3 302.393 3.336 20 30 DGEDHN CC(C)CC[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000362959523 265793234 /nfs/dbraw/zinc/79/32/34/265793234.db2.gz AJRMGCFATKTXIE-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN COCCN(C)CC[C@H](Nc1ccc(C#N)cn1)c1ccccc1 ZINC000505570166 424816253 /nfs/dbraw/zinc/81/62/53/424816253.db2.gz FOORCDOLQCGVQE-SFHVURJKSA-N 0 3 324.428 3.075 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1ccc(C#N)c(F)c1 ZINC000353142454 266047682 /nfs/dbraw/zinc/04/76/82/266047682.db2.gz FRQUWMRKZGNOEK-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)nnn2C ZINC000351606845 266051261 /nfs/dbraw/zinc/05/12/61/266051261.db2.gz GQLYIFXUQONVQD-UHFFFAOYSA-N 0 3 319.412 3.252 20 30 DGEDHN CCN(Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](C)CO ZINC000354417724 266136168 /nfs/dbraw/zinc/13/61/68/266136168.db2.gz FYNSGHVJCLFJJJ-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)CCOc2ccc(C#N)cc2)C12CCC2 ZINC000357803366 266302601 /nfs/dbraw/zinc/30/26/01/266302601.db2.gz OHJICHDETSRZAV-ROUUACIJSA-N 0 3 314.429 3.217 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)CCOc2ccccc2C#N)C12CCC2 ZINC000357796054 266303083 /nfs/dbraw/zinc/30/30/83/266303083.db2.gz JFLHTZJSGNSXDR-ROUUACIJSA-N 0 3 314.429 3.217 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C#N)cs1)c1ccco1 ZINC000359539351 266362803 /nfs/dbraw/zinc/36/28/03/266362803.db2.gz OSQJOZRGCVNMEB-YPMHNXCESA-N 0 3 317.414 3.072 20 30 DGEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000358608516 266362912 /nfs/dbraw/zinc/36/29/12/266362912.db2.gz HOYJKBDAJVCDTH-VXGBXAGGSA-N 0 3 305.447 3.457 20 30 DGEDHN N#Cc1csc(CN2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000356372723 266370846 /nfs/dbraw/zinc/37/08/46/266370846.db2.gz UYFXFTLVMNETGB-INIZCTEOSA-N 0 3 309.438 3.257 20 30 DGEDHN C=C(C)CN1CCC(N[C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182870209 432236977 /nfs/dbraw/zinc/23/69/77/432236977.db2.gz GLGJPWDMMZLZDU-GOSISDBHSA-N 0 3 324.415 3.282 20 30 DGEDHN CCCN1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000509692944 267019265 /nfs/dbraw/zinc/01/92/65/267019265.db2.gz LQQMEAOYCBGXQV-UHFFFAOYSA-N 0 3 308.429 3.255 20 30 DGEDHN C[C@@](CO)(CNCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000361737916 267111789 /nfs/dbraw/zinc/11/17/89/267111789.db2.gz QQEVCXGVLRIOJU-IBGZPJMESA-N 0 3 312.388 3.028 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000393889691 267155224 /nfs/dbraw/zinc/15/52/24/267155224.db2.gz YYGZSUVUCPJKIZ-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000354101076 267180054 /nfs/dbraw/zinc/18/00/54/267180054.db2.gz QOCCTCKVKKWBPR-HNNXBMFYSA-N 0 3 321.424 3.417 20 30 DGEDHN CC[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(C#N)cc1 ZINC000516846935 267222095 /nfs/dbraw/zinc/22/20/95/267222095.db2.gz BHTRCQAPKCLNLE-IBGZPJMESA-N 0 3 319.408 3.085 20 30 DGEDHN CC[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000527997649 267222908 /nfs/dbraw/zinc/22/29/08/267222908.db2.gz JHRAQVQPGOMFJT-FUHWJXTLSA-N 0 3 305.381 3.162 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cnccc1C#N ZINC000371470679 267233658 /nfs/dbraw/zinc/23/36/58/267233658.db2.gz NOMYAVUBEBAFSI-MAUKXSAKSA-N 0 3 306.413 3.276 20 30 DGEDHN COC(=O)CCC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000531002423 267360199 /nfs/dbraw/zinc/36/01/99/267360199.db2.gz ZLFXYEDUQDEOHY-AWEZNQCLSA-N 0 3 300.402 3.284 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]4CCC[C@H]43)o2)cc1 ZINC000247510230 432237478 /nfs/dbraw/zinc/23/74/78/432237478.db2.gz MLEOGUZDBOKXDN-GDBMZVCRSA-N 0 3 308.385 3.373 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000151319077 432238404 /nfs/dbraw/zinc/23/84/04/432238404.db2.gz CHAZBQUALSIDNZ-GDBMZVCRSA-N 0 3 311.454 3.372 20 30 DGEDHN COc1cc(CNCCN2c3ccccc3C[C@H]2C)ccc1C#N ZINC000440813631 267590658 /nfs/dbraw/zinc/59/06/58/267590658.db2.gz NBQXRYIZIURAIB-OAHLLOKOSA-N 0 3 321.424 3.108 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2OCC#N)c1 ZINC000270376797 432238684 /nfs/dbraw/zinc/23/86/84/432238684.db2.gz LWHGGELDTBCXCY-UHFFFAOYSA-N 0 3 323.396 3.211 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCCC4(CCC4)C3)C2=O)cc1 ZINC000348183252 268110350 /nfs/dbraw/zinc/11/03/50/268110350.db2.gz UGXKRDXBHIOBLV-GOSISDBHSA-N 0 3 323.440 3.320 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000363855532 268211962 /nfs/dbraw/zinc/21/19/62/268211962.db2.gz QCBFGWOGOLZZBK-OALUTQOASA-N 0 3 324.449 3.382 20 30 DGEDHN N#Cc1cccc(CN2CCCN3c4ccccc4C[C@H]3C2)c1F ZINC000352010034 268247258 /nfs/dbraw/zinc/24/72/58/268247258.db2.gz YKEIEALKSDLKKV-SFHVURJKSA-N 0 3 321.399 3.334 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505896560 268284926 /nfs/dbraw/zinc/28/49/26/268284926.db2.gz SZEFVYZATXXBRW-GOSISDBHSA-N 0 3 322.408 3.338 20 30 DGEDHN N#Cc1csc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000348713533 268319989 /nfs/dbraw/zinc/31/99/89/268319989.db2.gz LJLBIANRASQXOP-FUHWJXTLSA-N 0 3 312.438 3.218 20 30 DGEDHN COCCCCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191275186 432243649 /nfs/dbraw/zinc/24/36/49/432243649.db2.gz VWIZUJPNQJUNSF-UHFFFAOYSA-N 0 3 311.429 3.326 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)c(C#N)c1C ZINC000182948771 432245766 /nfs/dbraw/zinc/24/57/66/432245766.db2.gz ZPIZUHCPVBKZHT-GHMZBOCLSA-N 0 3 303.406 3.121 20 30 DGEDHN C[C@H]1C[C@@H](c2cccnc2)N(CCOc2cccc(C#N)c2)C1 ZINC000359868201 271004651 /nfs/dbraw/zinc/00/46/51/271004651.db2.gz HIIFVWWGWXSDTI-KXBFYZLASA-N 0 3 307.397 3.415 20 30 DGEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[C@@H]1C#N)CC3 ZINC000329613281 274120600 /nfs/dbraw/zinc/12/06/00/274120600.db2.gz DWDMCIPVYSPILV-PBFPGSCMSA-N 0 3 309.413 3.316 20 30 DGEDHN C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443522819 274373069 /nfs/dbraw/zinc/37/30/69/274373069.db2.gz NHXIJNGCASUDPE-VXGBXAGGSA-N 0 3 324.350 3.035 20 30 DGEDHN C=CCCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000472873441 275742918 /nfs/dbraw/zinc/74/29/18/275742918.db2.gz WTFUWTWMYKPHNV-GOSISDBHSA-N 0 3 315.461 3.479 20 30 DGEDHN CC(C)[C@H](O)C1(CNC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000329212704 276023641 /nfs/dbraw/zinc/02/36/41/276023641.db2.gz IEFOMRXCZBOEMZ-CVEARBPZSA-N 0 3 308.466 3.147 20 30 DGEDHN CCC[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1CCOC ZINC000245964158 276049418 /nfs/dbraw/zinc/04/94/18/276049418.db2.gz VJDLRQDYQYCEIM-APWZRJJASA-N 0 3 315.461 3.052 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccccc1)CC(C)C ZINC000346784170 276350454 /nfs/dbraw/zinc/35/04/54/276350454.db2.gz XQIGSZXJYWOJBB-KRWDZBQOSA-N 0 3 315.461 3.153 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2OC)C12CCC2 ZINC000157124604 276361664 /nfs/dbraw/zinc/36/16/64/276361664.db2.gz LIWNTBLKCNUSNW-MSOLQXFVSA-N 0 3 314.429 3.346 20 30 DGEDHN C=CC[C@H]1N(C(=O)C2CCN(C3CC3)CC2)CCCC1(C)C ZINC000338889267 276910503 /nfs/dbraw/zinc/91/05/03/276910503.db2.gz XITQITBDZTXFSM-QGZVFWFLSA-N 0 3 304.478 3.454 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000246606425 277121641 /nfs/dbraw/zinc/12/16/41/277121641.db2.gz DIPSHPJUDIKLDV-IAGOWNOFSA-N 0 3 316.470 3.194 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CCC2)C(C)(C)C1 ZINC000496971627 277190576 /nfs/dbraw/zinc/19/05/76/277190576.db2.gz AMDGPOSBRMQOBT-CQSZACIVSA-N 0 3 321.465 3.305 20 30 DGEDHN COc1cc(CN[C@@H]2CCCO[C@H]2CC(C)C)ccc1C#N ZINC000440634206 277378141 /nfs/dbraw/zinc/37/81/41/277378141.db2.gz HHXXMYWKBOTSKU-AEFFLSMTSA-N 0 3 302.418 3.250 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@H]1C)C(C)C ZINC000481016566 277850807 /nfs/dbraw/zinc/85/08/07/277850807.db2.gz BHMMZRIVBCBYTN-GVDBMIGSSA-N 0 3 307.482 3.125 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC3(CCCC3)[C@H]2C(C)C)CC1 ZINC000458338606 277857532 /nfs/dbraw/zinc/85/75/32/277857532.db2.gz RRKGPVWBNLKWRT-QGZVFWFLSA-N 0 3 319.493 3.247 20 30 DGEDHN CS[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@H]1N1CCCC1 ZINC000445610393 278156711 /nfs/dbraw/zinc/15/67/11/278156711.db2.gz MOCRBIVOOQLKSK-HUUCEWRRSA-N 0 3 321.877 3.228 20 30 DGEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000181523270 278338450 /nfs/dbraw/zinc/33/84/50/278338450.db2.gz URKVGMOADTZQFY-JKSUJKDBSA-N 0 3 313.445 3.111 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1ccccc1F)c1ccc(C#N)cc1 ZINC000337683251 278342765 /nfs/dbraw/zinc/34/27/65/278342765.db2.gz WSTNXROFOHVGPW-CYBMUJFWSA-N 0 3 311.360 3.377 20 30 DGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000293567807 278358076 /nfs/dbraw/zinc/35/80/76/278358076.db2.gz XULLYHIYJBBXRR-CQSZACIVSA-N 0 3 307.397 3.111 20 30 DGEDHN CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424083295 278490010 /nfs/dbraw/zinc/49/00/10/278490010.db2.gz CUDXSNWVGIJIKQ-GJZGRUSLSA-N 0 3 305.397 3.050 20 30 DGEDHN Cn1cccc1[C@H]1CCCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268639154 279370907 /nfs/dbraw/zinc/37/09/07/279370907.db2.gz DFACWOORYTUGNO-RTBURBONSA-N 0 3 309.413 3.157 20 30 DGEDHN C=CC1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000111258053 431205920 /nfs/dbraw/zinc/20/59/20/431205920.db2.gz FSQNZNQVWZGEPF-UHFFFAOYSA-N 0 3 311.429 3.397 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000185757340 279488179 /nfs/dbraw/zinc/48/81/79/279488179.db2.gz LJHFRHLJVXHBNQ-GVDBMIGSSA-N 0 3 301.434 3.479 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000113334610 431341715 /nfs/dbraw/zinc/34/17/15/431341715.db2.gz JHEOVWLYDXIJIZ-UHFFFAOYSA-N 0 3 323.392 3.150 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114834379 431416883 /nfs/dbraw/zinc/41/68/83/431416883.db2.gz QDLOKVWDJMKSOZ-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN N#Cc1cccc(CN(CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000074312170 431411806 /nfs/dbraw/zinc/41/18/06/431411806.db2.gz DYQJQUUAEIQBGG-HXUWFJFHSA-N 0 3 306.409 3.430 20 30 DGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000413281547 279951740 /nfs/dbraw/zinc/95/17/40/279951740.db2.gz NFPCNQAQXNWBQH-WCQYABFASA-N 0 3 324.350 3.035 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000116951813 431541653 /nfs/dbraw/zinc/54/16/53/431541653.db2.gz KAYKYWRAVJMCOQ-CABCVRRESA-N 0 3 321.490 3.224 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccccc1C ZINC000077247197 431575851 /nfs/dbraw/zinc/57/58/51/431575851.db2.gz GZSYDZKYABOXNB-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000117874372 431583744 /nfs/dbraw/zinc/58/37/44/431583744.db2.gz BEWGYEXSYYNAPS-UHFFFAOYSA-N 0 3 306.837 3.454 20 30 DGEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000078539104 431680201 /nfs/dbraw/zinc/68/02/01/431680201.db2.gz YFADQVPZDMTXII-AEFFLSMTSA-N 0 3 313.445 3.444 20 30 DGEDHN CC(C)(C)[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000078759266 431706295 /nfs/dbraw/zinc/70/62/95/431706295.db2.gz BIKTXOVOPWVGSC-INIZCTEOSA-N 0 3 319.493 3.477 20 30 DGEDHN COc1cc(CN(CCCSCC#N)C2CC2)ccc1O ZINC000119613965 431712700 /nfs/dbraw/zinc/71/27/00/431712700.db2.gz GRVPXPXYPRYKHE-UHFFFAOYSA-N 0 3 306.431 3.012 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000120250074 431724996 /nfs/dbraw/zinc/72/49/96/431724996.db2.gz QECZQCSKXASTFQ-WBVHZDCISA-N 0 3 319.836 3.189 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000121252876 431761488 /nfs/dbraw/zinc/76/14/88/431761488.db2.gz IWKHHNFTGYGNQF-JKSUJKDBSA-N 0 3 318.486 3.317 20 30 DGEDHN N#Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000029177398 431717286 /nfs/dbraw/zinc/71/72/86/431717286.db2.gz WGMIZZKYPCECQY-LJQANCHMSA-N 0 3 319.408 3.125 20 30 DGEDHN C=C(C)COCCNCc1cc(Br)c(OC)s1 ZINC000121758720 431805396 /nfs/dbraw/zinc/80/53/96/431805396.db2.gz CDSUVTZYGBXVSI-UHFFFAOYSA-N 0 3 320.252 3.202 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000083231841 431810344 /nfs/dbraw/zinc/81/03/44/431810344.db2.gz IIIXFRLDJRZKDY-HZPDHXFCSA-N 0 3 315.461 3.128 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000121368155 431778092 /nfs/dbraw/zinc/77/80/92/431778092.db2.gz IYGDAWBQFSBXDC-SFHVURJKSA-N 0 3 307.397 3.253 20 30 DGEDHN COCCCOC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000122655154 431841226 /nfs/dbraw/zinc/84/12/26/431841226.db2.gz QQBRECAVEPNPDP-HNNXBMFYSA-N 0 3 302.418 3.137 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N([C@@H](C)C(C)C)C2CC2)CC1 ZINC000086394406 431845392 /nfs/dbraw/zinc/84/53/92/431845392.db2.gz QIRMMRKPFJVDKC-HNNXBMFYSA-N 0 3 307.482 3.245 20 30 DGEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041521017 431859565 /nfs/dbraw/zinc/85/95/65/431859565.db2.gz DYOIEWRZUFUBKF-GFCCVEGCSA-N 0 3 316.382 3.349 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000123778415 431873737 /nfs/dbraw/zinc/87/37/37/431873737.db2.gz NOYUIHWZACLEGQ-KRWDZBQOSA-N 0 3 303.446 3.474 20 30 DGEDHN CCN(Cc1ccc(C(N)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742053 431864294 /nfs/dbraw/zinc/86/42/94/431864294.db2.gz LNFZOKADDGUNEA-AWEZNQCLSA-N 0 3 307.397 3.240 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000123689149 431871804 /nfs/dbraw/zinc/87/18/04/431871804.db2.gz WUZPMCZBSJXAAW-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1C(C)C ZINC000092693692 431910477 /nfs/dbraw/zinc/91/04/77/431910477.db2.gz MMXOQKBYEWDELM-ZDUSSCGKSA-N 0 3 321.384 3.149 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](COC)C2)cc1OC ZINC000093337798 431914487 /nfs/dbraw/zinc/91/44/87/431914487.db2.gz FENJQZUIHWDAAQ-INIZCTEOSA-N 0 3 305.418 3.118 20 30 DGEDHN CCOC[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000093838885 431916979 /nfs/dbraw/zinc/91/69/79/431916979.db2.gz ATSRZNBNCFHOLN-KRWDZBQOSA-N 0 3 302.418 3.228 20 30 DGEDHN C=CCOc1ccc(CN(C)[C@H](CO)C(C)(C)C)cc1OC ZINC000093837274 431917510 /nfs/dbraw/zinc/91/75/10/431917510.db2.gz AFBXCUSLIQAMQN-QGZVFWFLSA-N 0 3 307.434 3.099 20 30 DGEDHN C=CCc1cc(CN(C)CCc2nccs2)cc(OC)c1O ZINC000093843854 431918245 /nfs/dbraw/zinc/91/82/45/431918245.db2.gz JJGOYIXIRYRDFX-UHFFFAOYSA-N 0 3 318.442 3.260 20 30 DGEDHN C=CCCOCCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090883774 431896342 /nfs/dbraw/zinc/89/63/42/431896342.db2.gz SBSOBLPLBMBDQQ-OAHLLOKOSA-N 0 3 302.418 3.057 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000052103973 431955092 /nfs/dbraw/zinc/95/50/92/431955092.db2.gz JVLMIWBPDRRMRZ-JMLCCBQJSA-N 0 3 305.466 3.084 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000101586931 431986749 /nfs/dbraw/zinc/98/67/49/431986749.db2.gz DWBSKDQHENFRFW-CYBMUJFWSA-N 0 3 311.360 3.377 20 30 DGEDHN C=CCCC(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000102235628 431992294 /nfs/dbraw/zinc/99/22/94/431992294.db2.gz KOAUTPXDHUTCMS-UHFFFAOYSA-N 0 3 301.434 3.122 20 30 DGEDHN CN(C)c1cccc(CN(C)CCOc2ccccc2C#N)c1 ZINC000173353640 432274264 /nfs/dbraw/zinc/27/42/64/432274264.db2.gz SYHGIOCVRXNOFI-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173447803 432279406 /nfs/dbraw/zinc/27/94/06/432279406.db2.gz UVGJCXBUSSCHEX-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN CN(C)c1cccc(CN(C)CCOc2cccc(C#N)c2)c1 ZINC000173725467 432296558 /nfs/dbraw/zinc/29/65/58/432296558.db2.gz RQCGGLPHZVRITN-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000128489005 431995894 /nfs/dbraw/zinc/99/58/94/431995894.db2.gz WNYQLYZDISWAHA-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN Cc1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)s1 ZINC000102773727 431997836 /nfs/dbraw/zinc/99/78/36/431997836.db2.gz BUNKODMMGHVMIR-UHFFFAOYSA-N 0 3 313.426 3.389 20 30 DGEDHN N#Cc1ccccc1OCCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191963817 432318835 /nfs/dbraw/zinc/31/88/35/432318835.db2.gz MAYDPJWEHVFGRS-MJGOQNOKSA-N 0 3 308.381 3.057 20 30 DGEDHN CCC(CC)(CNCc1ccc(C#N)o1)NC(=O)OC(C)(C)C ZINC000174130648 432323166 /nfs/dbraw/zinc/32/31/66/432323166.db2.gz CZKMPZTVSYISNF-UHFFFAOYSA-N 0 3 321.421 3.324 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000248849182 432324082 /nfs/dbraw/zinc/32/40/82/432324082.db2.gz ONLNTUDDLMSFOP-NJAFHUGGSA-N 0 3 311.429 3.022 20 30 DGEDHN Cc1ccc([C@H](CN[C@@H]2CCC[C@@H](C#N)C2)N2CCCC2)o1 ZINC000248874672 432326013 /nfs/dbraw/zinc/32/60/13/432326013.db2.gz QXTOUFHDYVWILY-ZACQAIPSSA-N 0 3 301.434 3.397 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(O[C@H]2CCOC2)c1 ZINC000248937964 432328415 /nfs/dbraw/zinc/32/84/15/432328415.db2.gz YMGJIIUCYATJGM-NXHRZFHOSA-N 0 3 314.429 3.335 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C1CCCCC1 ZINC000249712829 432355244 /nfs/dbraw/zinc/35/52/44/432355244.db2.gz GDGSYLPPRBFNOX-WMZOPIPTSA-N 0 3 305.466 3.086 20 30 DGEDHN CC1([C@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)OCCO1 ZINC000183884249 432331559 /nfs/dbraw/zinc/33/15/59/432331559.db2.gz ILXILULZVNGHRM-INIZCTEOSA-N 0 3 319.832 3.167 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000249406510 432346730 /nfs/dbraw/zinc/34/67/30/432346730.db2.gz UNYPPRKTTNWVDX-IAQYHMDHSA-N 0 3 303.406 3.217 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000248651498 432310529 /nfs/dbraw/zinc/31/05/29/432310529.db2.gz AWUWMGFTDIJCGM-PBHICJAKSA-N 0 3 304.459 3.051 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000253146435 432388854 /nfs/dbraw/zinc/38/88/54/432388854.db2.gz KAMCNUUHTYCULU-GBESFXJTSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCOCCN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000271448548 432397646 /nfs/dbraw/zinc/39/76/46/432397646.db2.gz FYBVUSILSYYGIP-HNNXBMFYSA-N 0 3 319.449 3.460 20 30 DGEDHN CC(C)N(C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192681058 432400656 /nfs/dbraw/zinc/40/06/56/432400656.db2.gz RYDXKPOAUKPPEQ-GOSISDBHSA-N 0 3 311.429 3.317 20 30 DGEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000271486664 432404921 /nfs/dbraw/zinc/40/49/21/432404921.db2.gz IVHDUBDACKCOIR-AUUYWEPGSA-N 0 3 310.397 3.433 20 30 DGEDHN CC[C@@H]1Oc2cc([C@@H](C)NCCC(C)(C)C#N)ccc2NC1=O ZINC000272030745 432432814 /nfs/dbraw/zinc/43/28/14/432432814.db2.gz OYYUAOWTULKHDI-DOMZBBRYSA-N 0 3 315.417 3.387 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1C)C1CC1 ZINC000272041392 432434649 /nfs/dbraw/zinc/43/46/49/432434649.db2.gz OPRJNGFAPMSEAI-AUUYWEPGSA-N 0 3 313.445 3.044 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCCOc2ccc(Br)cc2)C1 ZINC000192976842 432435616 /nfs/dbraw/zinc/43/56/16/432435616.db2.gz ODYIYUCSDCWFLI-JSGCOSHPSA-N 0 3 323.234 3.500 20 30 DGEDHN C#CCCN1CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC000272058788 432437760 /nfs/dbraw/zinc/43/77/60/432437760.db2.gz WFAVKOBQMFBBLV-UHFFFAOYSA-N 0 3 322.452 3.250 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CO[C@H]2CCCC[C@@H]2CC)CC1 ZINC000184984764 432451823 /nfs/dbraw/zinc/45/18/23/432451823.db2.gz AVBJONWIQUNFOX-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000192771542 432411807 /nfs/dbraw/zinc/41/18/07/432411807.db2.gz RPQCYQDDUMHSCW-SFHVURJKSA-N 0 3 324.424 3.284 20 30 DGEDHN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271805489 432425055 /nfs/dbraw/zinc/42/50/55/432425055.db2.gz LEHSIXQAFSPFSC-KXBFYZLASA-N 0 3 310.397 3.282 20 30 DGEDHN C[C@H](NCCOc1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000271757612 432425417 /nfs/dbraw/zinc/42/54/17/432425417.db2.gz ABJBUFRXCAAMNV-AWEZNQCLSA-N 0 3 314.360 3.458 20 30 DGEDHN C=CCCCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193429334 432472966 /nfs/dbraw/zinc/47/29/66/432472966.db2.gz URZPMRIUXGOCMK-CQSZACIVSA-N 0 3 304.394 3.222 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000193613307 432484626 /nfs/dbraw/zinc/48/46/26/432484626.db2.gz VSGPGDNMNGHYBE-UHFFFAOYSA-N 0 3 320.392 3.494 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@H](O)c2ccsc2)cc1 ZINC000154461715 432499178 /nfs/dbraw/zinc/49/91/78/432499178.db2.gz VPOPWPLQEYLMMH-DYVFJYSZSA-N 0 3 301.411 3.144 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)c1nccs1 ZINC000273089227 432549588 /nfs/dbraw/zinc/54/95/88/432549588.db2.gz MKXPWRZHZYXTIW-ZDUSSCGKSA-N 0 3 301.415 3.281 20 30 DGEDHN COc1ccc([C@@H]2CCN(CCOc3ccc(C#N)cc3)C2)cc1 ZINC000155323858 432551000 /nfs/dbraw/zinc/55/10/00/432551000.db2.gz ZSJHNKCHCRTZMJ-GOSISDBHSA-N 0 3 322.408 3.435 20 30 DGEDHN CC(C)Oc1cccc([C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176971555 432570338 /nfs/dbraw/zinc/57/03/38/432570338.db2.gz WOWBHIMTLQBACY-KRWDZBQOSA-N 0 3 316.426 3.230 20 30 DGEDHN Cc1cc(C#N)ccc1CN(CCO)[C@H]1CCc2ccccc21 ZINC000186251637 432574681 /nfs/dbraw/zinc/57/46/81/432574681.db2.gz VRGOAPNGENDTRQ-FQEVSTJZSA-N 0 3 306.409 3.349 20 30 DGEDHN COCC[C@H](NCCCOc1cccc(C#N)c1)c1ccco1 ZINC000273263839 432575902 /nfs/dbraw/zinc/57/59/02/432575902.db2.gz LGJJCLHMAUMXNY-KRWDZBQOSA-N 0 3 314.385 3.288 20 30 DGEDHN C=CCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000263963271 432598800 /nfs/dbraw/zinc/59/88/00/432598800.db2.gz FMDADALIBHZFCB-UHFFFAOYSA-N 0 3 304.459 3.183 20 30 DGEDHN C[C@H](NCCCCC#N)c1cc(Br)ncc1F ZINC000273873012 432631609 /nfs/dbraw/zinc/63/16/09/432631609.db2.gz PDCUTPVHUSYSRP-VIFPVBQESA-N 0 3 300.175 3.328 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000264335301 432637560 /nfs/dbraw/zinc/63/75/60/432637560.db2.gz AJJNWBJVZQASAF-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN CC#CCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000274299577 432648260 /nfs/dbraw/zinc/64/82/60/432648260.db2.gz RWRHVYJCCQPBGY-IEBWSBKVSA-N 0 3 310.441 3.323 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000264367148 432640466 /nfs/dbraw/zinc/64/04/66/432640466.db2.gz PYXSBSUSIYVYMG-OAHLLOKOSA-N 0 3 319.474 3.245 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)[C@]12CCCO2 ZINC000274237082 432640946 /nfs/dbraw/zinc/64/09/46/432640946.db2.gz QHHYIVWZLNLNKN-DUOKCRBOSA-N 0 3 318.392 3.075 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2ccc(C(C)C)cc2)CC1 ZINC000264454336 432647547 /nfs/dbraw/zinc/64/75/47/432647547.db2.gz ZLQRKHYTHLUXCN-UHFFFAOYSA-N 0 3 315.461 3.260 20 30 DGEDHN CC(C)[C@H](C(=O)Nc1cccc(OCC#N)c1)N1CCCCC1 ZINC000264138143 432618555 /nfs/dbraw/zinc/61/85/55/432618555.db2.gz FUPZYLSGICVABF-QGZVFWFLSA-N 0 3 315.417 3.038 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(OCC(C)C)cc2)CC1 ZINC000264474416 432649650 /nfs/dbraw/zinc/64/96/50/432649650.db2.gz JYDWKOXXPQPFTO-UHFFFAOYSA-N 0 3 316.445 3.102 20 30 DGEDHN Cc1ccc([C@@H](CNCc2cc(C#N)cs2)N2CCCC2)o1 ZINC000177694090 432651416 /nfs/dbraw/zinc/65/14/16/432651416.db2.gz KUBVJYGTBLJTCT-MRXNPFEDSA-N 0 3 315.442 3.448 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H](NCc1cc(C#N)cs1)C1CC1 ZINC000177705162 432653273 /nfs/dbraw/zinc/65/32/73/432653273.db2.gz KSFMPPMRNJQOTG-AWEZNQCLSA-N 0 3 321.446 3.013 20 30 DGEDHN C[C@@H](NC(=O)c1cccc(CC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000187255807 432653528 /nfs/dbraw/zinc/65/35/28/432653528.db2.gz XBKBEDOIWPVMST-BEFAXECRSA-N 0 3 321.424 3.174 20 30 DGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)o2)CCN1C(=O)OC(C)(C)C ZINC000219467861 432664594 /nfs/dbraw/zinc/66/45/94/432664594.db2.gz COGGWKCOTDQSTG-QWHCGFSZSA-N 0 3 319.405 3.029 20 30 DGEDHN C[C@H](CCn1cccn1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000159081788 432668042 /nfs/dbraw/zinc/66/80/42/432668042.db2.gz CNKYHKMJZUIISY-CQSZACIVSA-N 0 3 321.346 3.322 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000274650774 432693754 /nfs/dbraw/zinc/69/37/54/432693754.db2.gz LYQBPOKFFYRLQB-UHFFFAOYSA-N 0 3 309.479 3.178 20 30 DGEDHN CCCO[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000160110704 432707259 /nfs/dbraw/zinc/70/72/59/432707259.db2.gz PFAOYPDFONCSLQ-QGZVFWFLSA-N 0 3 302.418 3.348 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)NCCNC(=O)C(C)C)cc1 ZINC000178226933 432709558 /nfs/dbraw/zinc/70/95/58/432709558.db2.gz PWSNUECXLGJICD-AWEZNQCLSA-N 0 3 324.852 3.241 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(Br)ccn2)CC1 ZINC000274804999 432709661 /nfs/dbraw/zinc/70/96/61/432709661.db2.gz LFJUHFWTBKKXPB-UHFFFAOYSA-N 0 3 310.239 3.297 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000188289792 432715947 /nfs/dbraw/zinc/71/59/47/432715947.db2.gz RWGWUQZVUJEWOK-KXBFYZLASA-N 0 3 314.429 3.368 20 30 DGEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000274930428 432721448 /nfs/dbraw/zinc/72/14/48/432721448.db2.gz NLBGMJRXFRANBL-QWHCGFSZSA-N 0 3 303.406 3.083 20 30 DGEDHN C=CCC1(C(=O)NCCCN2CCc3ccccc3C2)CCC1 ZINC000188403072 432723551 /nfs/dbraw/zinc/72/35/51/432723551.db2.gz GJJZAPUVJDYFHG-UHFFFAOYSA-N 0 3 312.457 3.297 20 30 DGEDHN CC(C)(C)OC(=O)NC1(CNCc2cc(C#N)cs2)CCC1 ZINC000230156971 432725031 /nfs/dbraw/zinc/72/50/31/432725031.db2.gz IOZVNUCPMVWKFN-UHFFFAOYSA-N 0 3 321.446 3.157 20 30 DGEDHN N#CCOc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000274520852 432677238 /nfs/dbraw/zinc/67/72/38/432677238.db2.gz YWOMYTWJXFQMHU-UHFFFAOYSA-N 0 3 322.408 3.073 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000177991300 432682460 /nfs/dbraw/zinc/68/24/60/432682460.db2.gz MRKPHRLAQBTHCE-HXUWFJFHSA-N 0 3 320.392 3.087 20 30 DGEDHN CC(C)n1ncc2cc(CNCCCCC#N)c(Cl)nc21 ZINC000236697125 432758480 /nfs/dbraw/zinc/75/84/80/432758480.db2.gz BPCMMKPZNGKBGH-UHFFFAOYSA-N 0 3 305.813 3.449 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000189030483 432758617 /nfs/dbraw/zinc/75/86/17/432758617.db2.gz NQJXFQLVMDCQPG-ROUUACIJSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)C1CC1 ZINC000178671775 432764226 /nfs/dbraw/zinc/76/42/26/432764226.db2.gz RYPCAYUBVKMQOZ-GFCCVEGCSA-N 0 3 312.335 3.377 20 30 DGEDHN C=CCCC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266573938 432767095 /nfs/dbraw/zinc/76/70/95/432767095.db2.gz UBAPJXMWTDIMAY-GOSISDBHSA-N 0 3 300.446 3.323 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@H](C)CCC)CC1 ZINC000178727546 432771797 /nfs/dbraw/zinc/77/17/97/432771797.db2.gz LECMXWQXEIAECW-NVXWUHKLSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@@H](C)CCC)CC1 ZINC000178727537 432772136 /nfs/dbraw/zinc/77/21/36/432772136.db2.gz LECMXWQXEIAECW-RDJZCZTQSA-N 0 3 307.482 3.247 20 30 DGEDHN C#CC[C@H](NCCOCC(F)(F)C(F)F)c1ccccc1 ZINC000276178090 432778891 /nfs/dbraw/zinc/77/88/91/432778891.db2.gz GLBWUDSMMVHRJA-ZDUSSCGKSA-N 0 3 303.299 3.258 20 30 DGEDHN Cc1cccc(C[C@H](CO)N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000276167808 432779520 /nfs/dbraw/zinc/77/95/20/432779520.db2.gz SASSDEUTAWOKLI-RDTXWAMCSA-N 0 3 312.388 3.260 20 30 DGEDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000160553761 432729649 /nfs/dbraw/zinc/72/96/49/432729649.db2.gz RPVIBDWFCHVCGT-YPMHNXCESA-N 0 3 305.422 3.463 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)cc1 ZINC000267196604 432821522 /nfs/dbraw/zinc/82/15/22/432821522.db2.gz NRRQBGLLJHDTGI-AUUYWEPGSA-N 0 3 313.372 3.049 20 30 DGEDHN N#CCOc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000267766194 432836791 /nfs/dbraw/zinc/83/67/91/432836791.db2.gz RMYWMXPQKRRZCY-IRXDYDNUSA-N 0 3 302.443 3.449 20 30 DGEDHN Cc1ccc(C#N)c(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)n1 ZINC000161821146 432799446 /nfs/dbraw/zinc/79/94/46/432799446.db2.gz ZRJNVDFNHSYIKZ-MAUKXSAKSA-N 0 3 306.413 3.337 20 30 DGEDHN C=CCC[C@H](NCCc1nnc2n1CCCCC2)c1ccco1 ZINC000276454688 432809435 /nfs/dbraw/zinc/80/94/35/432809435.db2.gz MXCNVFFWORTYDE-HNNXBMFYSA-N 0 3 314.433 3.437 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000276485697 432811954 /nfs/dbraw/zinc/81/19/54/432811954.db2.gz ZSQYYBUASGOBOU-AWEZNQCLSA-N 0 3 307.463 3.103 20 30 DGEDHN CC(C)n1ncc2c1C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)CC2 ZINC000330164035 432895598 /nfs/dbraw/zinc/89/55/98/432895598.db2.gz SWMSDAVJWPQHAQ-IJEWVQPXSA-N 0 3 318.465 3.151 20 30 DGEDHN C[C@H](c1ccccc1)N(CCCCC(C)(C)C#N)CC(N)=O ZINC000277680132 432869932 /nfs/dbraw/zinc/86/99/32/432869932.db2.gz KMEAAAUFRQNYGJ-OAHLLOKOSA-N 0 3 301.434 3.255 20 30 DGEDHN C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000329960130 432885565 /nfs/dbraw/zinc/88/55/65/432885565.db2.gz NSXYJBIOFMCORI-CQSZACIVSA-N 0 3 309.413 3.197 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC000330028558 432890257 /nfs/dbraw/zinc/89/02/57/432890257.db2.gz ORUGOLODNLFYAA-CQSZACIVSA-N 0 3 305.422 3.115 20 30 DGEDHN CCN([C@H](C)c1ccc(C#N)cc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000245634351 432851032 /nfs/dbraw/zinc/85/10/32/432851032.db2.gz QZKCLDYHGDLARJ-CRAIPNDOSA-N 0 3 313.445 3.341 20 30 DGEDHN CCN([C@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(C(C)C)C1=O ZINC000245634353 432852089 /nfs/dbraw/zinc/85/20/89/432852089.db2.gz QZKCLDYHGDLARJ-QAPCUYQASA-N 0 3 313.445 3.341 20 30 DGEDHN C[C@H]1C[C@@H](/N=C/c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000268173909 432852565 /nfs/dbraw/zinc/85/25/65/432852565.db2.gz LYYNMHYCJYAZQA-OOLWZSKVSA-N 0 3 310.397 3.180 20 30 DGEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2sccc2C#N)C1 ZINC000330690682 432924422 /nfs/dbraw/zinc/92/44/22/432924422.db2.gz FXJSVCUEVIORFC-ZDUSSCGKSA-N 0 3 319.474 3.250 20 30 DGEDHN CC#CCCCc1nc(-c2ccccc2OCCN(C)C)no1 ZINC000289127290 432925109 /nfs/dbraw/zinc/92/51/09/432925109.db2.gz RKFMQZZNAAPIMV-UHFFFAOYSA-N 0 3 313.401 3.023 20 30 DGEDHN C=CC[C@H]1N(CC(=O)N[C@](C)(C#N)C(C)C)CCCC1(C)C ZINC000331291324 432938099 /nfs/dbraw/zinc/93/80/99/432938099.db2.gz KOQOBJHBJHSMMQ-CRAIPNDOSA-N 0 3 305.466 3.108 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cncc(Cl)c2C)CC1 ZINC000296917647 432939078 /nfs/dbraw/zinc/93/90/78/432939078.db2.gz IFRXOLXBFHFMJV-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000279171729 432942336 /nfs/dbraw/zinc/94/23/36/432942336.db2.gz AGAOBTKTCWMNCQ-IPMKNSEASA-N 0 3 321.424 3.422 20 30 DGEDHN C[C@@H]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279234298 432948444 /nfs/dbraw/zinc/94/84/44/432948444.db2.gz FDVHUTKXBGPJTN-JLSDUUJJSA-N 0 3 309.413 3.183 20 30 DGEDHN CCC1(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCCC1 ZINC000330195114 432897672 /nfs/dbraw/zinc/89/76/72/432897672.db2.gz PAXHQLGDQPLCKO-AWEZNQCLSA-N 0 3 304.438 3.062 20 30 DGEDHN CCc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330249303 432900010 /nfs/dbraw/zinc/90/00/10/432900010.db2.gz ZTLJVQIUKRUCTQ-JCURWCKSSA-N 0 3 302.418 3.383 20 30 DGEDHN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(F)c1-c1nnc[n-]1 ZINC000330293201 432901908 /nfs/dbraw/zinc/90/19/08/432901908.db2.gz DNXWAMUKJQGFTQ-GHMZBOCLSA-N 0 3 317.368 3.072 20 30 DGEDHN O=C(NCC1(O)CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC000330299247 432903061 /nfs/dbraw/zinc/90/30/61/432903061.db2.gz METVVUGUWWJZNV-MRXNPFEDSA-N 0 3 308.466 3.435 20 30 DGEDHN C[C@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)Cn1cccn1 ZINC000330303492 432903461 /nfs/dbraw/zinc/90/34/61/432903461.db2.gz PHBLUAQKRFZTKX-WBVHZDCISA-N 0 3 318.465 3.273 20 30 DGEDHN CCn1nccc1C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000278860241 432909048 /nfs/dbraw/zinc/90/90/48/432909048.db2.gz LDCMJKANCPJIEY-UHFFFAOYSA-N 0 3 324.428 3.033 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330457475 432910166 /nfs/dbraw/zinc/91/01/66/432910166.db2.gz QIKSKDQJYBNDPC-OLZOCXBDSA-N 0 3 320.393 3.041 20 30 DGEDHN CCc1noc(C)c1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000330445675 432910213 /nfs/dbraw/zinc/91/02/13/432910213.db2.gz QXUWFTCAIFKRJI-LBPRGKRZSA-N 0 3 307.438 3.361 20 30 DGEDHN CCc1c(C(=O)NCCN2CCC[C@H](C)C2)cnn1C(C)(C)C ZINC000330550268 432917375 /nfs/dbraw/zinc/91/73/75/432917375.db2.gz WXDDTKFKGIZGGF-AWEZNQCLSA-N 0 3 320.481 3.237 20 30 DGEDHN CCc1ccc([O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000330601638 432919223 /nfs/dbraw/zinc/91/92/23/432919223.db2.gz IKBKPTBJWROZPE-HNNXBMFYSA-N 0 3 304.434 3.380 20 30 DGEDHN CCc1ccc([O-])c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000330601638 432919226 /nfs/dbraw/zinc/91/92/26/432919226.db2.gz IKBKPTBJWROZPE-HNNXBMFYSA-N 0 3 304.434 3.380 20 30 DGEDHN C#CCN[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000289702472 432973495 /nfs/dbraw/zinc/97/34/95/432973495.db2.gz BWNKCKROZSZEKQ-MRXNPFEDSA-N 0 3 302.418 3.255 20 30 DGEDHN C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000279545047 432980868 /nfs/dbraw/zinc/98/08/68/432980868.db2.gz MCJFTOBLNQNGBX-SJLPKXTDSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000279545039 432981240 /nfs/dbraw/zinc/98/12/40/432981240.db2.gz MCJFTOBLNQNGBX-AEFFLSMTSA-N 0 3 315.461 3.162 20 30 DGEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279699905 432991028 /nfs/dbraw/zinc/99/10/28/432991028.db2.gz JGFOAUDZROYMCG-FHLIZLRMSA-N 0 3 309.413 3.278 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000279802869 432993168 /nfs/dbraw/zinc/99/31/68/432993168.db2.gz WNPHXTPCEMVJBJ-BEFAXECRSA-N 0 3 317.392 3.160 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000297547234 432998578 /nfs/dbraw/zinc/99/85/78/432998578.db2.gz CYYMWBJFVMQFTI-MRXNPFEDSA-N 0 3 300.446 3.322 20 30 DGEDHN CC1(C)CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280058277 433001300 /nfs/dbraw/zinc/00/13/00/433001300.db2.gz PIQKDXKJMRKHOO-IRXDYDNUSA-N 0 3 309.413 3.326 20 30 DGEDHN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(OCC#N)cc1 ZINC000280077247 433001413 /nfs/dbraw/zinc/00/14/13/433001413.db2.gz LMDNMPCLXMGIRS-DYVFJYSZSA-N 0 3 310.401 3.051 20 30 DGEDHN C[C@@H]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279364909 432959734 /nfs/dbraw/zinc/95/97/34/432959734.db2.gz RHJPQBRUVIUUOB-OLMNPRSZSA-N 0 3 309.413 3.183 20 30 DGEDHN CCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279389434 432963438 /nfs/dbraw/zinc/96/34/38/432963438.db2.gz LFSUNZKNCNMBKX-UHFFFAOYSA-N 0 3 323.444 3.481 20 30 DGEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280169427 433008070 /nfs/dbraw/zinc/00/80/70/433008070.db2.gz SKTXTRLKWRHNHY-KRWDZBQOSA-N 0 3 309.413 3.327 20 30 DGEDHN C=CCC[C@H](NCc1ccc(S(=O)(=O)CC)s1)C1CC1 ZINC000280184226 433012173 /nfs/dbraw/zinc/01/21/73/433012173.db2.gz RURXVPFQSCOTID-AWEZNQCLSA-N 0 3 313.488 3.376 20 30 DGEDHN C=CC[C@H](CO)CNCc1c(Cl)cccc1N1CCCC1 ZINC000341279902 433015238 /nfs/dbraw/zinc/01/52/38/433015238.db2.gz TYQYICDTRCKWMA-AWEZNQCLSA-N 0 3 308.853 3.214 20 30 DGEDHN C=CCc1cc(CN2CC[C@](CO)(CCC)C2)cc(OC)c1O ZINC000290223826 433016730 /nfs/dbraw/zinc/01/67/30/433016730.db2.gz SAIRTUJZGXKAID-LJQANCHMSA-N 0 3 319.445 3.114 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(C2)CCCCC3)cc1 ZINC000280322681 433033570 /nfs/dbraw/zinc/03/35/70/433033570.db2.gz ONMCJKKCCQRJFM-QGZVFWFLSA-N 0 3 307.397 3.033 20 30 DGEDHN CC(C#N)C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000344120671 289235229 /nfs/dbraw/zinc/23/52/29/289235229.db2.gz BRNFBGWSGDBEPO-SNVBAGLBSA-N 0 3 307.191 3.104 20 30 DGEDHN CN(C)[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 ZINC000433348086 289274589 /nfs/dbraw/zinc/27/45/89/289274589.db2.gz RVRJCFOFJFNBFO-KRWDZBQOSA-N 0 3 315.461 3.468 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000298246299 433068018 /nfs/dbraw/zinc/06/80/18/433068018.db2.gz SUHYYOGRARQFJN-UXHICEINSA-N 0 3 304.393 3.205 20 30 DGEDHN COc1cc2c(c(CNCCc3cccc(C#N)c3)c1)O[C@H](C)C2 ZINC000341481617 433086439 /nfs/dbraw/zinc/08/64/39/433086439.db2.gz JEHYBISECLDPNH-CQSZACIVSA-N 0 3 322.408 3.223 20 30 DGEDHN N#Cc1cccc(CCNCc2ccn(-c3ccccc3)n2)c1 ZINC000341489050 433089763 /nfs/dbraw/zinc/08/97/63/433089763.db2.gz QKWVAKQZDBDIMQ-UHFFFAOYSA-N 0 3 302.381 3.076 20 30 DGEDHN CCc1ccc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000298442663 433140338 /nfs/dbraw/zinc/14/03/38/433140338.db2.gz DGDGRHDJZHURIH-HNNXBMFYSA-N 0 3 321.424 3.088 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000373253306 433142399 /nfs/dbraw/zinc/14/23/99/433142399.db2.gz TYEFLKHSAYJAMV-MAUKXSAKSA-N 0 3 314.429 3.226 20 30 DGEDHN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(C)C#N ZINC000447064076 433149056 /nfs/dbraw/zinc/14/90/56/433149056.db2.gz SWGVKURPIJUONF-ZYHUDNBSSA-N 0 3 321.218 3.272 20 30 DGEDHN N#Cc1csc(C(=O)NC[C@@H]2CCCN2C2CCCCC2)c1 ZINC000280606414 433102125 /nfs/dbraw/zinc/10/21/25/433102125.db2.gz ALWDATZQTMBTFB-HNNXBMFYSA-N 0 3 317.458 3.147 20 30 DGEDHN CC[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000425124533 433104357 /nfs/dbraw/zinc/10/43/57/433104357.db2.gz FMYUHOGQNFZDEO-WMLDXEAASA-N 0 3 301.434 3.198 20 30 DGEDHN CC[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000425124534 433106232 /nfs/dbraw/zinc/10/62/32/433106232.db2.gz FMYUHOGQNFZDEO-YOEHRIQHSA-N 0 3 301.434 3.198 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000280613350 433107033 /nfs/dbraw/zinc/10/70/33/433107033.db2.gz KFVWMJVHGMVCHJ-IUODEOHRSA-N 0 3 310.781 3.319 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000280618735 433112499 /nfs/dbraw/zinc/11/24/99/433112499.db2.gz KTSXQFQIJQILQN-CRAIPNDOSA-N 0 3 305.418 3.252 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(Br)cc21 ZINC000453357893 433118468 /nfs/dbraw/zinc/11/84/68/433118468.db2.gz MSRCJSOGKIQNSG-ZNMIVQPWSA-N 0 3 308.219 3.370 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000280636760 433118746 /nfs/dbraw/zinc/11/87/46/433118746.db2.gz ZGGYYAGJXHDPNG-KURKYZTESA-N 0 3 307.397 3.032 20 30 DGEDHN Cc1cc(NC2CCN(Cc3ccccc3C)CC2)c(C#N)cn1 ZINC000425207495 433120208 /nfs/dbraw/zinc/12/02/08/433120208.db2.gz MVCZFTHZQCGZPN-UHFFFAOYSA-N 0 3 320.440 3.069 20 30 DGEDHN C=CCC[C@@H](CC)NCc1ccc(S(=O)(=O)CC)s1 ZINC000280639207 433120374 /nfs/dbraw/zinc/12/03/74/433120374.db2.gz RBLYACPBNQAQMP-GFCCVEGCSA-N 0 3 301.477 3.376 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453362976 433121102 /nfs/dbraw/zinc/12/11/02/433121102.db2.gz QFVYGXMJRHUIQQ-WCQYABFASA-N 0 3 307.825 3.204 20 30 DGEDHN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374092923 433174798 /nfs/dbraw/zinc/17/47/98/433174798.db2.gz LGVCEGKUTFRMHT-FQEVSTJZSA-N 0 3 312.457 3.467 20 30 DGEDHN CC#CCCCC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374251891 433179023 /nfs/dbraw/zinc/17/90/23/433179023.db2.gz ZZCIHXDBPSGNGC-HXUWFJFHSA-N 0 3 312.457 3.208 20 30 DGEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374179453 433180997 /nfs/dbraw/zinc/18/09/97/433180997.db2.gz TUCXJJOQLLLCAR-CABNGKKXSA-N 0 3 302.256 3.157 20 30 DGEDHN COc1cc(CN[C@@H](C)CN(C)Cc2ccccc2)ccc1C#N ZINC000336681621 433182324 /nfs/dbraw/zinc/18/23/24/433182324.db2.gz DWGALFOSXSPWFY-INIZCTEOSA-N 0 3 323.440 3.177 20 30 DGEDHN N#Cc1c(CN2CC[C@H](C3CCOCC3)C2)cn2ccccc12 ZINC000374356880 433185593 /nfs/dbraw/zinc/18/55/93/433185593.db2.gz IAQYPMGSKXLUIC-INIZCTEOSA-N 0 3 309.413 3.059 20 30 DGEDHN C[C@H](CCC#N)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000298602709 433189345 /nfs/dbraw/zinc/18/93/45/433189345.db2.gz LKCSWEURHAIPSR-CQSZACIVSA-N 0 3 309.417 3.343 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453451954 433194617 /nfs/dbraw/zinc/19/46/17/433194617.db2.gz LKMKYZCQYMFARB-HZPDHXFCSA-N 0 3 319.497 3.288 20 30 DGEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1CCCCC#N ZINC000447395472 433197615 /nfs/dbraw/zinc/19/76/15/433197615.db2.gz SNYBSJDCWVVDKY-MRXNPFEDSA-N 0 3 308.429 3.439 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N1CCCN(C(C)C)CC1 ZINC000453458165 433198947 /nfs/dbraw/zinc/19/89/47/433198947.db2.gz ZENWVZPMKUINHK-UHFFFAOYSA-N 0 3 319.497 3.117 20 30 DGEDHN C[C@@H]1CN(CCC(C)(C)C#N)C[C@@H](C)N1CCC(C)(C)C#N ZINC000337229090 433213475 /nfs/dbraw/zinc/21/34/75/433213475.db2.gz HNCSNRJODAMFSV-HZPDHXFCSA-N 0 3 304.482 3.261 20 30 DGEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cc(C#N)n(C)c1 ZINC000361509599 433214472 /nfs/dbraw/zinc/21/44/72/433214472.db2.gz CQDIANCMMCDORX-IBGZPJMESA-N 0 3 309.413 3.415 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291020419 433216154 /nfs/dbraw/zinc/21/61/54/433216154.db2.gz AGDRYLRTAYFCCB-NRFANRHFSA-N 0 3 323.436 3.387 20 30 DGEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC000453629892 433250650 /nfs/dbraw/zinc/25/06/50/433250650.db2.gz ZEFARSDEYVTUAS-SFHVURJKSA-N 0 3 300.402 3.112 20 30 DGEDHN Cn1cc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1C#N ZINC000361571656 433254805 /nfs/dbraw/zinc/25/48/05/433254805.db2.gz NPBVWOZWJPOVBE-UHFFFAOYSA-N 0 3 311.404 3.491 20 30 DGEDHN CCN1CCCC[C@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000413140180 433260429 /nfs/dbraw/zinc/26/04/29/433260429.db2.gz IRTOKYROQKNESX-LBPRGKRZSA-N 0 3 312.339 3.258 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(OC)c1 ZINC000298875948 433266911 /nfs/dbraw/zinc/26/69/11/433266911.db2.gz LYIAFRCVRSLYJB-CABCVRRESA-N 0 3 304.434 3.159 20 30 DGEDHN CCOc1ccc([C@H](O)C2CCN(CCCC#N)CC2)cc1 ZINC000291595106 433282148 /nfs/dbraw/zinc/28/21/48/433282148.db2.gz BPNCFPOSIYRVGP-SFHVURJKSA-N 0 3 302.418 3.134 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NCC2(N(C)C)CCC2)CCCC1(C)C ZINC000447835395 433292068 /nfs/dbraw/zinc/29/20/68/433292068.db2.gz TUPCEFOLEFHCRU-HNNXBMFYSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1cccc(CN2CCOCC2)c1 ZINC000420919839 433312749 /nfs/dbraw/zinc/31/27/49/433312749.db2.gz ILEHVXSXKZRMPH-IBGZPJMESA-N 0 3 300.446 3.059 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)OCC1CC1 ZINC000414015485 433352328 /nfs/dbraw/zinc/35/23/28/433352328.db2.gz YJZWXFPTBYHRRX-QGZVFWFLSA-N 0 3 314.429 3.080 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@]2(C)Cc2ccc(F)cc2)C1=O ZINC000420934404 433328501 /nfs/dbraw/zinc/32/85/01/433328501.db2.gz XHXSTDRWEYUVRF-IEBWSBKVSA-N 0 3 316.420 3.010 20 30 DGEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1ccc(F)cc1 ZINC000339037753 433330916 /nfs/dbraw/zinc/33/09/16/433330916.db2.gz VYUXYNFSYZLZDH-SFHVURJKSA-N 0 3 324.403 3.296 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000375012518 433331148 /nfs/dbraw/zinc/33/11/48/433331148.db2.gz LPWXIXRUDHLYKI-DLBZAZTESA-N 0 3 314.429 3.205 20 30 DGEDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414163126 433431236 /nfs/dbraw/zinc/43/12/36/433431236.db2.gz ICYCNLVITJUMFN-ZDUSSCGKSA-N 0 3 323.462 3.039 20 30 DGEDHN C=CCNC(=O)CN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414113092 433403825 /nfs/dbraw/zinc/40/38/25/433403825.db2.gz RNOSAOUPTYOICQ-GDBMZVCRSA-N 0 3 306.837 3.258 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000454459830 433434438 /nfs/dbraw/zinc/43/44/38/433434438.db2.gz HPVJIOOBYHQNLW-IRXDYDNUSA-N 0 3 319.493 3.247 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292036250 433435542 /nfs/dbraw/zinc/43/55/42/433435542.db2.gz ZHUYKNLGXDUGBV-IBGZPJMESA-N 0 3 300.446 3.243 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@H]2CC)CC1 ZINC000454463501 433439602 /nfs/dbraw/zinc/43/96/02/433439602.db2.gz LRGLKLKULHPZTL-HZPDHXFCSA-N 0 3 307.482 3.152 20 30 DGEDHN COc1ccc2c(c1)CN(CCCC1(C#N)CCOCC1)CC2 ZINC000281985389 433456160 /nfs/dbraw/zinc/45/61/60/433456160.db2.gz MJCWHRVCGQFQFN-UHFFFAOYSA-N 0 3 314.429 3.154 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000342080667 433459426 /nfs/dbraw/zinc/45/94/26/433459426.db2.gz GVGCWMITIYJWQX-RDJZCZTQSA-N 0 3 303.450 3.333 20 30 DGEDHN N#Cc1ccc(CNCCCN2CCc3ccccc32)cc1F ZINC000421335042 433485236 /nfs/dbraw/zinc/48/52/36/433485236.db2.gz RHFWVRZRXJJELE-UHFFFAOYSA-N 0 3 309.388 3.240 20 30 DGEDHN N#Cc1cccc(NC[C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000301269460 433480703 /nfs/dbraw/zinc/48/07/03/433480703.db2.gz JEVPQKIGMOHBDA-CQSZACIVSA-N 0 3 312.442 3.339 20 30 DGEDHN CN(C)CCOc1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000421330620 433482684 /nfs/dbraw/zinc/48/26/84/433482684.db2.gz BUJHEVHOYZBEOZ-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](CO)C[C@H](C)C2)ccc1OC ZINC000421366900 433512298 /nfs/dbraw/zinc/51/22/98/433512298.db2.gz WHTGWIHJFHRIHJ-DOTOQJQBSA-N 0 3 319.445 3.100 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1Cl ZINC000426525303 433523833 /nfs/dbraw/zinc/52/38/33/433523833.db2.gz RVPQPCNUKAATSK-QGZVFWFLSA-N 0 3 307.821 3.252 20 30 DGEDHN C=CCc1cc(CNCc2cc(C)nc(C)c2)cc(OC)c1O ZINC000421386112 433527069 /nfs/dbraw/zinc/52/70/69/433527069.db2.gz REHSAWCXPUJRKO-UHFFFAOYSA-N 0 3 312.413 3.431 20 30 DGEDHN CN(CCNc1nc2c(cc1C#N)CCC2)Cc1ccc(F)cc1 ZINC000362130677 433538353 /nfs/dbraw/zinc/53/83/53/433538353.db2.gz SJDDOWVHYUASAD-UHFFFAOYSA-N 0 3 324.403 3.125 20 30 DGEDHN COCC[C@@H](Cc1ccco1)NCc1ccc(C#N)c(F)c1 ZINC000421338244 433486305 /nfs/dbraw/zinc/48/63/05/433486305.db2.gz DTPNSWZREHDUMA-HNNXBMFYSA-N 0 3 302.349 3.028 20 30 DGEDHN Cc1csc(N2CCC(NCc3ccc(C#N)s3)CC2)n1 ZINC000421352535 433495613 /nfs/dbraw/zinc/49/56/13/433495613.db2.gz OGDPUGIZBOLTLN-UHFFFAOYSA-N 0 3 318.471 3.143 20 30 DGEDHN N#Cc1ccc(CNC2CCN(CCC(F)(F)F)CC2)s1 ZINC000421353025 433496972 /nfs/dbraw/zinc/49/69/72/433496972.db2.gz RSSBUGLOWRMVCP-UHFFFAOYSA-N 0 3 317.380 3.126 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN([C@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000292200941 433501659 /nfs/dbraw/zinc/50/16/59/433501659.db2.gz NUJQPTXTFARWEZ-AEFFLSMTSA-N 0 3 323.371 3.233 20 30 DGEDHN C[C@@](CO)(CNCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000421404083 433549036 /nfs/dbraw/zinc/54/90/36/433549036.db2.gz XKHVBEITZXNWRV-IBGZPJMESA-N 0 3 312.388 3.028 20 30 DGEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2ccccc2F)CC1 ZINC000292351013 433558130 /nfs/dbraw/zinc/55/81/30/433558130.db2.gz QSIXJDWDWRRASH-UHFFFAOYSA-N 0 3 319.424 3.010 20 30 DGEDHN Cc1occc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000414373056 433580541 /nfs/dbraw/zinc/58/05/41/433580541.db2.gz REYKRGIXTMENAZ-UHFFFAOYSA-N 0 3 309.413 3.168 20 30 DGEDHN C=C(C)COc1cc(CNCCN2CC=CCC2)ccc1OC ZINC000355469318 433547006 /nfs/dbraw/zinc/54/70/06/433547006.db2.gz ILXTZDLLCICEJK-UHFFFAOYSA-N 0 3 316.445 3.002 20 30 DGEDHN CCCN(CCC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000355469188 433547901 /nfs/dbraw/zinc/54/79/01/433547901.db2.gz XTEJZXHEWCSIER-INIZCTEOSA-N 0 3 301.434 3.444 20 30 DGEDHN CN(C)C[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000342221721 433548205 /nfs/dbraw/zinc/54/82/05/433548205.db2.gz HBEGCJREBKEEIT-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282761671 433628264 /nfs/dbraw/zinc/62/82/64/433628264.db2.gz CCMMIMSBONEQJH-INIZCTEOSA-N 0 3 306.837 3.253 20 30 DGEDHN C=CCCCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456330302 433597428 /nfs/dbraw/zinc/59/74/28/433597428.db2.gz JDQYHYPYGVZJLE-KRWDZBQOSA-N 0 3 300.446 3.323 20 30 DGEDHN CCCO[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282432015 433604491 /nfs/dbraw/zinc/60/44/91/433604491.db2.gz TYKVHEIUZKOIOT-KRWDZBQOSA-N 0 3 302.418 3.348 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2Cl)CC1 ZINC000293037078 433608521 /nfs/dbraw/zinc/60/85/21/433608521.db2.gz JKDPWVCGTGSFJO-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C(C)C ZINC000456357433 433613497 /nfs/dbraw/zinc/61/34/97/433613497.db2.gz XXLFIGZZIKHHDH-FHWLQOOXSA-N 0 3 323.440 3.380 20 30 DGEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC000426828888 433614187 /nfs/dbraw/zinc/61/41/87/433614187.db2.gz XDMDYBRZDHSONR-QGZVFWFLSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000426827061 433614357 /nfs/dbraw/zinc/61/43/57/433614357.db2.gz GYMZTPVTXCRSHU-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H](CO)CC(C)(C)C ZINC000456429343 433661997 /nfs/dbraw/zinc/66/19/97/433661997.db2.gz CIOAGLMATZGLBJ-SJORKVTESA-N 0 3 316.445 3.014 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000362388856 433684275 /nfs/dbraw/zinc/68/42/75/433684275.db2.gz JWROOKJMIFBIOR-ZIAGYGMSSA-N 0 3 304.459 3.177 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000362391497 433688252 /nfs/dbraw/zinc/68/82/52/433688252.db2.gz XCSKUYGBHOJDDF-KBPBESRZSA-N 0 3 316.470 3.320 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN(CC)C1CC1 ZINC000362404363 433696752 /nfs/dbraw/zinc/69/67/52/433696752.db2.gz SWZNGBXXZRJYHA-UHFFFAOYSA-N 0 3 304.459 3.179 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(CN(C)C)s1 ZINC000414531593 433698152 /nfs/dbraw/zinc/69/81/52/433698152.db2.gz GOMKKZJKXMXDCC-INIZCTEOSA-N 0 3 315.486 3.482 20 30 DGEDHN CC[C@H](NC(=O)C(C)C#N)c1cc(F)cc(Br)c1 ZINC000362508144 433733452 /nfs/dbraw/zinc/73/34/52/433733452.db2.gz XTDWAISWBPIIAN-UFBFGSQYSA-N 0 3 313.170 3.315 20 30 DGEDHN N#CCCOCCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000293466518 433750016 /nfs/dbraw/zinc/75/00/16/433750016.db2.gz DQHAUTUPVPFQPG-HNNXBMFYSA-N 0 3 310.850 3.437 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1nccc(C#N)c1Cl)C(C)C ZINC000429190646 433767746 /nfs/dbraw/zinc/76/77/46/433767746.db2.gz AQYBJOXMXJSACF-OAHLLOKOSA-N 0 3 318.852 3.717 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](CCCO)C2)cc1Cl ZINC000449787439 433795541 /nfs/dbraw/zinc/79/55/41/433795541.db2.gz AAGVXRYKUBFRNZ-AWEZNQCLSA-N 0 3 309.837 3.499 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC000421909681 433801565 /nfs/dbraw/zinc/80/15/65/433801565.db2.gz AXNXWCXZRNOLQW-AAEUAGOBSA-N 0 3 321.218 3.142 20 30 DGEDHN C=C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000362641761 433803044 /nfs/dbraw/zinc/80/30/44/433803044.db2.gz OJAAZSZYOISAJC-GJZGRUSLSA-N 0 3 301.434 3.086 20 30 DGEDHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1cccc(C#N)c1 ZINC000293641044 433810426 /nfs/dbraw/zinc/81/04/26/433810426.db2.gz HDTVULFHRHDIRC-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000376882489 433835037 /nfs/dbraw/zinc/83/50/37/433835037.db2.gz RRFBKBZNVPMSHC-FUHWJXTLSA-N 0 3 300.446 3.370 20 30 DGEDHN CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000343907573 433835630 /nfs/dbraw/zinc/83/56/30/433835630.db2.gz AMIFJTRTPQRSNK-CRAIPNDOSA-N 0 3 311.429 3.176 20 30 DGEDHN COc1cc(C#N)cc(OCCN(C)Cc2ccc(F)cc2)c1 ZINC000362755359 433852224 /nfs/dbraw/zinc/85/22/24/433852224.db2.gz HHHRWASWKWFQTF-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN C=CCCCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284577618 433897158 /nfs/dbraw/zinc/89/71/58/433897158.db2.gz GDUVNYVMALWLIO-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN CC(C)[C@@H](CNc1cccnc1C#N)N1CCc2ccccc2C1 ZINC000357195303 433904329 /nfs/dbraw/zinc/90/43/29/433904329.db2.gz YIZDKAYKYJLRJG-HXUWFJFHSA-N 0 3 320.440 3.448 20 30 DGEDHN N#CCOc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000284907630 433907053 /nfs/dbraw/zinc/90/70/53/433907053.db2.gz CMZXFDRFTMCUON-LJQANCHMSA-N 0 3 308.381 3.462 20 30 DGEDHN N#CC1(CCCN2CCC=C(c3ccco3)C2)CCOCC1 ZINC000285412814 433935590 /nfs/dbraw/zinc/93/55/90/433935590.db2.gz UYUONKBYLWTKPK-UHFFFAOYSA-N 0 3 300.402 3.469 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436266647 433920356 /nfs/dbraw/zinc/92/03/56/433920356.db2.gz BDGGLWNSYHRXPE-QZTJIDSGSA-N 0 3 324.509 3.375 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000285223422 433921802 /nfs/dbraw/zinc/92/18/02/433921802.db2.gz UXBYQRLOMUAEEY-IBGZPJMESA-N 0 3 313.445 3.016 20 30 DGEDHN Cc1nsc(NC[C@H](c2ccc(C)cc2)N(C)C)c1C#N ZINC000340013422 433888677 /nfs/dbraw/zinc/88/86/77/433888677.db2.gz GKUXTVCPCNJCOB-OAHLLOKOSA-N 0 3 300.431 3.346 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)cccc1C#N)Cc1ccccc1 ZINC000302868355 433891604 /nfs/dbraw/zinc/89/16/04/433891604.db2.gz ZXIYVQIFRJSWLE-SFHVURJKSA-N 0 3 304.397 3.015 20 30 DGEDHN N#Cc1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000340045320 433894609 /nfs/dbraw/zinc/89/46/09/433894609.db2.gz BQDIZZLCKHBNJY-HXUWFJFHSA-N 0 3 322.408 3.228 20 30 DGEDHN CC(C)[C@@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000303727715 433963218 /nfs/dbraw/zinc/96/32/18/433963218.db2.gz YDKPHMJGFNSFTP-INIZCTEOSA-N 0 3 305.466 3.182 20 30 DGEDHN CC1(C)CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000303833663 433965501 /nfs/dbraw/zinc/96/55/01/433965501.db2.gz AEJXHLAHABQURX-QGZVFWFLSA-N 0 3 311.429 3.176 20 30 DGEDHN CCSCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285512629 433975351 /nfs/dbraw/zinc/97/53/51/433975351.db2.gz OGRGZMAVTQQJJY-UHFFFAOYSA-N 0 3 308.422 3.294 20 30 DGEDHN C=CCN1CCC(NC(=O)c2coc3ccc(CC)cc23)CC1 ZINC000285523323 433979949 /nfs/dbraw/zinc/97/99/49/433979949.db2.gz ZJXJIVWZWNBJJW-UHFFFAOYSA-N 0 3 312.413 3.375 20 30 DGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000450166201 434004242 /nfs/dbraw/zinc/00/42/42/434004242.db2.gz USPPWQQPKADKSC-UHFFFAOYSA-N 0 3 322.412 3.351 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)[C@@](C)(C#N)CC)c1ccccc1 ZINC000285664577 434032727 /nfs/dbraw/zinc/03/27/27/434032727.db2.gz YYFWSKDRNSDSKL-FUHWJXTLSA-N 0 3 301.434 3.126 20 30 DGEDHN CC[C@]1(C)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000352544483 434041404 /nfs/dbraw/zinc/04/14/04/434041404.db2.gz BBKZPDFBGCBOII-PKOBYXMFSA-N 0 3 311.429 3.176 20 30 DGEDHN CC1(C)CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000352426284 434043585 /nfs/dbraw/zinc/04/35/85/434043585.db2.gz SHEDZHLPYZLXEN-KRWDZBQOSA-N 0 3 311.429 3.176 20 30 DGEDHN CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457314332 434097841 /nfs/dbraw/zinc/09/78/41/434097841.db2.gz YOSZGPQVOXGYCK-ZIFCJYIRSA-N 0 3 309.413 3.181 20 30 DGEDHN CN(CCCN(C)Cc1cc(C#N)ccc1F)Cc1ccco1 ZINC000285737402 434052791 /nfs/dbraw/zinc/05/27/91/434052791.db2.gz RAJUEKWDXLGOLM-UHFFFAOYSA-N 0 3 315.392 3.244 20 30 DGEDHN CN(C)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000353413253 434115995 /nfs/dbraw/zinc/11/59/95/434115995.db2.gz OZRJUXGMEUGEES-IAGOWNOFSA-N 0 3 311.454 3.500 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C3CC3)nc2C)CC1 ZINC000294573125 434120474 /nfs/dbraw/zinc/12/04/74/434120474.db2.gz KERXFCLUOVNIFV-UHFFFAOYSA-N 0 3 313.445 3.038 20 30 DGEDHN Cc1nc(CN)ccc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000423032584 434175651 /nfs/dbraw/zinc/17/56/51/434175651.db2.gz WFIKAAXETLEBRZ-CQSZACIVSA-N 0 3 306.413 3.060 20 30 DGEDHN COc1ccc(CN2CCC(Cc3cccnc3)CC2)cc1C#N ZINC000378416241 434176183 /nfs/dbraw/zinc/17/61/83/434176183.db2.gz LKWJBKXPWJZYMO-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(=O)OC)ccc1Cl ZINC000437258442 434239788 /nfs/dbraw/zinc/23/97/88/434239788.db2.gz NTBHKPQDNJLQMN-XJKSGUPXSA-N 0 3 323.820 3.197 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1cc(C)nc(C2CC2)n1)C(C)C ZINC000346670939 434260043 /nfs/dbraw/zinc/26/00/43/434260043.db2.gz LKXVBCXFPLGXIM-QGZVFWFLSA-N 0 3 314.477 3.773 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000364219519 434261884 /nfs/dbraw/zinc/26/18/84/434261884.db2.gz NDNLLCLMIJERLR-QRWLVFNGSA-N 0 3 322.408 3.381 20 30 DGEDHN CNC(=O)CC[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000286630496 434283287 /nfs/dbraw/zinc/28/32/87/434283287.db2.gz YDZPIFTYTHNGRI-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000437584076 434294949 /nfs/dbraw/zinc/29/49/49/434294949.db2.gz QRWGRBSRFVYBAE-WMZOPIPTSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@H](NCCC(=O)Nc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000340690585 434304533 /nfs/dbraw/zinc/30/45/33/434304533.db2.gz WDHJTPHNJJFJHF-ZDUSSCGKSA-N 0 3 311.360 3.377 20 30 DGEDHN Cc1ccc(NC(=O)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)nc1 ZINC000328828104 434316099 /nfs/dbraw/zinc/31/60/99/434316099.db2.gz JTLJHXZRKIECRC-GOEBONIOSA-N 0 3 312.417 3.382 20 30 DGEDHN C[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)[C@]1(C)CCCO1 ZINC000328852654 434318850 /nfs/dbraw/zinc/31/88/50/434318850.db2.gz VTMPAJGRMPABQI-JOQOYGCGSA-N 0 3 318.417 3.014 20 30 DGEDHN Cc1[nH]nc2ncc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc12 ZINC000328866821 434321338 /nfs/dbraw/zinc/32/13/38/434321338.db2.gz BZPNBJNIJYDCOB-HNNXBMFYSA-N 0 3 313.405 3.261 20 30 DGEDHN COc1ccc2c(c1)CCN(Cc1cc(C#N)ccc1OC)CC2 ZINC000340738110 434331265 /nfs/dbraw/zinc/33/12/65/434331265.db2.gz LIRIXLCPYPZAQG-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN Cc1nc(CCNC(=O)[C@H](C(C)C)N2CCCCC2)c(C)o1 ZINC000329122594 434363431 /nfs/dbraw/zinc/36/34/31/434363431.db2.gz RFXZSWLWSGCOEW-INIZCTEOSA-N 0 3 307.438 3.301 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1nccc(C#N)n1 ZINC000390857537 434370145 /nfs/dbraw/zinc/37/01/45/434370145.db2.gz LJRHANUZYAOYLZ-KRWDZBQOSA-N 0 3 321.428 3.061 20 30 DGEDHN C[C@H]1CCSCCN1CCC(=O)Nc1sccc1C#N ZINC000329172175 434370419 /nfs/dbraw/zinc/37/04/19/434370419.db2.gz KJOBGOXGOURKTC-NSHDSACASA-N 0 3 309.460 3.425 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000348522383 434370436 /nfs/dbraw/zinc/37/04/36/434370436.db2.gz XCYFBRALQMJGDO-CHWSQXEVSA-N 0 3 300.736 3.462 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000295480419 434381788 /nfs/dbraw/zinc/38/17/88/434381788.db2.gz RJJHMSHZBGQKJK-GJZGRUSLSA-N 0 3 313.445 3.223 20 30 DGEDHN C=CCC[C@H](NC1CCN(c2cccnn2)CC1)c1ccco1 ZINC000287369209 434342627 /nfs/dbraw/zinc/34/26/27/434342627.db2.gz HREFMFUKDPFJMQ-INIZCTEOSA-N 0 3 312.417 3.336 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)NCc1ccncc1OC[C@H]1CCOC1 ZINC000287367501 434345382 /nfs/dbraw/zinc/34/53/82/434345382.db2.gz OLHCUMMSSBKFLB-XHSDSOJGSA-N 0 3 304.434 3.187 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(=C)c2ccccc2)CC1 ZINC000287379957 434349243 /nfs/dbraw/zinc/34/92/43/434349243.db2.gz LFTHQLHUWLCWRB-UHFFFAOYSA-N 0 3 313.445 3.040 20 30 DGEDHN COCCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000287398829 434351550 /nfs/dbraw/zinc/35/15/50/434351550.db2.gz JBHUIXQAPXMZLH-IRXDYDNUSA-N 0 3 302.418 3.274 20 30 DGEDHN C[C@H](CNC(=O)c1ccc2nsnc2c1)N1CCC[C@@H](C)C1 ZINC000329078694 434354779 /nfs/dbraw/zinc/35/47/79/434354779.db2.gz BQIIUDJFYCBTNJ-VXGBXAGGSA-N 0 3 318.446 3.116 20 30 DGEDHN C[C@H](NC[C@@H]1COCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450715541 434359875 /nfs/dbraw/zinc/35/98/75/434359875.db2.gz IPADPZSVFWSBSV-MGPUTAFESA-N 0 3 322.408 3.291 20 30 DGEDHN C=CCSCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000417341866 434360724 /nfs/dbraw/zinc/36/07/24/434360724.db2.gz LWJNWRLKVXZTNT-INIZCTEOSA-N 0 3 321.490 3.028 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000295530574 434403534 /nfs/dbraw/zinc/40/35/34/434403534.db2.gz NIKBMQKUBKVKAH-LJQANCHMSA-N 0 3 311.429 3.469 20 30 DGEDHN C=CCOCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000358919291 434408955 /nfs/dbraw/zinc/40/89/55/434408955.db2.gz ANWPZGCBEMJZOG-MRXNPFEDSA-N 0 3 324.852 3.042 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000287639791 434415808 /nfs/dbraw/zinc/41/58/08/434415808.db2.gz GEBVBVZGYDMFKS-BEFAXECRSA-N 0 3 307.397 3.305 20 30 DGEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000359478080 434418047 /nfs/dbraw/zinc/41/80/47/434418047.db2.gz XJSZZYBRVRBBDS-CZUORRHYSA-N 0 3 310.401 3.440 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000295563757 434418049 /nfs/dbraw/zinc/41/80/49/434418049.db2.gz YCMHUMLDJVHQMB-IFXJQAMLSA-N 0 3 313.445 3.269 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000248821299 294814860 /nfs/dbraw/zinc/81/48/60/294814860.db2.gz LJHFRHLJVXHBNQ-ZACQAIPSSA-N 0 3 301.434 3.479 20 30 DGEDHN Cn1cc(CN[C@H](Cc2ccccn2)c2ccccc2)cc1C#N ZINC000359671292 434424413 /nfs/dbraw/zinc/42/44/13/434424413.db2.gz AJPXJFKSKYEGJG-HXUWFJFHSA-N 0 3 316.408 3.365 20 30 DGEDHN Cc1ccc([C@H]2OCCC[C@H]2NCc2cc(C#N)n(C)c2)cc1 ZINC000359745103 434427087 /nfs/dbraw/zinc/42/70/87/434427087.db2.gz KCVRBOFXFISTSM-RTBURBONSA-N 0 3 309.413 3.215 20 30 DGEDHN C=C(C)[C@@H](NC[C@H]1CCNC(=O)CC1)c1ccc(F)c(F)c1 ZINC000295719008 434431784 /nfs/dbraw/zinc/43/17/84/434431784.db2.gz KXOWLPKTUCSYRF-SJKOYZFVSA-N 0 3 308.372 3.088 20 30 DGEDHN C=C(CNC(=O)NCc1cccc(CN(C)C)c1)c1ccccc1 ZINC000287737428 434438546 /nfs/dbraw/zinc/43/85/46/434438546.db2.gz WFYNDCPFOAPWQJ-UHFFFAOYSA-N 0 3 323.440 3.261 20 30 DGEDHN C=C[C@H](CO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295998125 434470193 /nfs/dbraw/zinc/47/01/93/434470193.db2.gz KSTNAIDVRCGECH-OAHLLOKOSA-N 0 3 302.443 3.021 20 30 DGEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCCC(=O)N1 ZINC000329888883 434499230 /nfs/dbraw/zinc/49/92/30/434499230.db2.gz ZNFJBCAZXWBJBZ-CVEARBPZSA-N 0 3 315.417 3.117 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2COc2ccccc2)cc1 ZINC000296165538 434528453 /nfs/dbraw/zinc/52/84/53/434528453.db2.gz HOMMTFLAVLYRSH-AZUAARDMSA-N 0 3 322.408 3.135 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2ccncc2)C1 ZINC000451003856 434530144 /nfs/dbraw/zinc/53/01/44/434530144.db2.gz MAVCWYXTKDUIOW-KRWDZBQOSA-N 0 3 307.397 3.341 20 30 DGEDHN C#Cc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000367306870 434545052 /nfs/dbraw/zinc/54/50/52/434545052.db2.gz BFELAFGORNUACC-MRXNPFEDSA-N 0 3 316.408 3.442 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2sccc2C)CC1 ZINC000438981600 434554392 /nfs/dbraw/zinc/55/43/92/434554392.db2.gz CIZLERGFYUSWNH-UHFFFAOYSA-N 0 3 306.475 3.146 20 30 DGEDHN COc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)ccc1C#N ZINC000367682876 434555117 /nfs/dbraw/zinc/55/51/17/434555117.db2.gz HJVNLOJXGHCFDP-NVXWUHKLSA-N 0 3 314.429 3.205 20 30 DGEDHN CN(C)CCN(C/C=C\c1ccncc1)Cc1ccc(C#N)cc1 ZINC000348926931 434556307 /nfs/dbraw/zinc/55/63/07/434556307.db2.gz ZDOFMMKMDZJPIH-ARJAWSKDSA-N 0 3 320.440 3.030 20 30 DGEDHN CCc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cn1 ZINC000527813794 295135638 /nfs/dbraw/zinc/13/56/38/295135638.db2.gz XJKKHOACIOCAIL-UHFFFAOYSA-N 0 3 321.424 3.311 20 30 DGEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424070118 434615734 /nfs/dbraw/zinc/61/57/34/434615734.db2.gz RKCDKFQJIPRGOB-LSDHHAIUSA-N 0 3 307.825 3.174 20 30 DGEDHN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000424094024 434619596 /nfs/dbraw/zinc/61/95/96/434619596.db2.gz TWOUFRGCGAVLBS-OAHLLOKOSA-N 0 3 307.825 3.098 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000424112297 434624892 /nfs/dbraw/zinc/62/48/92/434624892.db2.gz JCYDMSBIWDLQIL-CQSZACIVSA-N 0 3 315.392 3.005 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000439581670 434626858 /nfs/dbraw/zinc/62/68/58/434626858.db2.gz PDTOGFIRDMMPEY-OAHLLOKOSA-N 0 3 319.449 3.412 20 30 DGEDHN Cc1csc(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)n1 ZINC000424116567 434627834 /nfs/dbraw/zinc/62/78/34/434627834.db2.gz XMTCDGRKPJYHJE-CQSZACIVSA-N 0 3 314.414 3.078 20 30 DGEDHN CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424116182 434627995 /nfs/dbraw/zinc/62/79/95/434627995.db2.gz XBDQIHCVORPVEG-BBRMVZONSA-N 0 3 319.474 3.385 20 30 DGEDHN CCCCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1ccccc1 ZINC000424122214 434628199 /nfs/dbraw/zinc/62/81/99/434628199.db2.gz IYPOSMCMHTUGSV-DOTOQJQBSA-N 0 3 301.434 3.397 20 30 DGEDHN Cc1ccccc1[C@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000424127264 434631283 /nfs/dbraw/zinc/63/12/83/434631283.db2.gz QGICPDQZJUGIEP-CVEARBPZSA-N 0 3 301.434 3.220 20 30 DGEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000439647160 434635339 /nfs/dbraw/zinc/63/53/39/434635339.db2.gz LLLHFCZAOXDMBJ-CYBMUJFWSA-N 0 3 322.393 3.342 20 30 DGEDHN Clc1cccc(C#CCN2CC[C@H](C3CCOCC3)C2)c1 ZINC000371074242 434640407 /nfs/dbraw/zinc/64/04/07/434640407.db2.gz LHJQOXDGABQXTQ-KRWDZBQOSA-N 0 3 303.833 3.440 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000371088827 434642012 /nfs/dbraw/zinc/64/20/12/434642012.db2.gz PNHRLWRBWUNNNW-QRWLVFNGSA-N 0 3 321.424 3.254 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)c(Cl)c1 ZINC000439449727 434605735 /nfs/dbraw/zinc/60/57/35/434605735.db2.gz GRSHQVQEHHJXQC-HNNXBMFYSA-N 0 3 304.821 3.460 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418151895 434606386 /nfs/dbraw/zinc/60/63/86/434606386.db2.gz UAJMGLOQTZWLEC-DLBZAZTESA-N 0 3 303.450 3.464 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(C#N)ccc1C ZINC000349115338 434610156 /nfs/dbraw/zinc/61/01/56/434610156.db2.gz AZNPMVZSAONKOU-UHFFFAOYSA-N 0 3 314.433 3.206 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)Cc1ccc(C#N)s1 ZINC000459745538 434691594 /nfs/dbraw/zinc/69/15/94/434691594.db2.gz MPEWCUORDFNISS-UHFFFAOYSA-N 0 3 305.472 3.245 20 30 DGEDHN C=CCC1(NC(=O)NC[C@H](N)c2ccccc2)CCCCC1 ZINC000418458555 434659088 /nfs/dbraw/zinc/65/90/88/434659088.db2.gz XESMJPFCINLXCP-INIZCTEOSA-N 0 3 301.434 3.265 20 30 DGEDHN COCCCN(Cc1ccncc1)Cc1ccc(C#N)c(C)c1 ZINC000349313080 434667015 /nfs/dbraw/zinc/66/70/15/434667015.db2.gz GRXLACQXFQYPSE-UHFFFAOYSA-N 0 3 309.413 3.300 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000424297483 434682513 /nfs/dbraw/zinc/68/25/13/434682513.db2.gz QSAKKZPLAMDAHD-STQMWFEESA-N 0 3 304.825 3.399 20 30 DGEDHN COc1cc(CNCc2cccc(-n3ccnc3)c2)ccc1C#N ZINC000440815125 434748067 /nfs/dbraw/zinc/74/80/67/434748067.db2.gz RVWMXYSZECYGDS-UHFFFAOYSA-N 0 3 318.380 3.042 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000411257166 434752785 /nfs/dbraw/zinc/75/27/85/434752785.db2.gz JYFJRQXEXASOPO-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C[C@H](c1cccc(O)c1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000440411381 434700536 /nfs/dbraw/zinc/70/05/36/434700536.db2.gz ZLQAVBKDAXGVEX-CQSZACIVSA-N 0 3 323.396 3.285 20 30 DGEDHN Cc1cc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000459775075 434712965 /nfs/dbraw/zinc/71/29/65/434712965.db2.gz QIVCJFJWTBWGCP-AWEZNQCLSA-N 0 3 302.418 3.276 20 30 DGEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000459779085 434715253 /nfs/dbraw/zinc/71/52/53/434715253.db2.gz WVUYKFSISOVUEI-HUUCEWRRSA-N 0 3 322.355 3.207 20 30 DGEDHN CC#CCCNCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000360956346 434744550 /nfs/dbraw/zinc/74/45/50/434744550.db2.gz GCQQDYSROAUGMV-UHFFFAOYSA-N 0 3 310.397 3.172 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419335751 434773403 /nfs/dbraw/zinc/77/34/03/434773403.db2.gz WGXGBLAAIPDDCP-OWCLPIDISA-N 0 3 307.482 3.141 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419365280 434777217 /nfs/dbraw/zinc/77/72/17/434777217.db2.gz XRDNVANADZXHJH-IFXJQAMLSA-N 0 3 313.445 3.269 20 30 DGEDHN Cc1cc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)ccc1C#N ZINC000443999444 434783323 /nfs/dbraw/zinc/78/33/23/434783323.db2.gz UAUIKVKGDDJEBC-ZDUSSCGKSA-N 0 3 308.385 3.208 20 30 DGEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)CC2(CCOCC2)O1 ZINC000411670522 434814561 /nfs/dbraw/zinc/81/45/61/434814561.db2.gz KZFAJPDJTRJAHZ-MRXNPFEDSA-N 0 3 306.450 3.120 20 30 DGEDHN C[C@@H]1OCC[C@@]12CN(CCC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000411665778 434814910 /nfs/dbraw/zinc/81/49/10/434814910.db2.gz HKXNHHSSYARMFR-SOLBZPMBSA-N 0 3 306.450 3.119 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)[C@@H](C)[C@@H]2C)ccc1OC ZINC000361157748 434817557 /nfs/dbraw/zinc/81/75/57/434817557.db2.gz YESMNNOKRPCLMW-HOTGVXAUSA-N 0 3 318.461 3.175 20 30 DGEDHN CO[C@](C)([C@@H](C)NCc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000411943996 434846233 /nfs/dbraw/zinc/84/62/33/434846233.db2.gz JHGSFDKNANWYSM-PIGZYNQJSA-N 0 3 324.371 3.453 20 30 DGEDHN C=CCOCCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412016461 434854350 /nfs/dbraw/zinc/85/43/50/434854350.db2.gz VYUKJIXEBNBBKP-SFHVURJKSA-N 0 3 301.430 3.433 20 30 DGEDHN COCCN(CCOc1ccccc1C#N)CCc1ccccc1 ZINC000521859728 434897868 /nfs/dbraw/zinc/89/78/68/434897868.db2.gz PKQWEXVNXCZCCL-UHFFFAOYSA-N 0 3 324.424 3.128 20 30 DGEDHN Cc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000554847879 434947662 /nfs/dbraw/zinc/94/76/62/434947662.db2.gz HOKCMWAGGNEFCP-UHFFFAOYSA-N 0 3 309.369 3.449 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000465262521 435023187 /nfs/dbraw/zinc/02/31/87/435023187.db2.gz LVMACNDJDAUZDG-CABCVRRESA-N 0 3 302.418 3.373 20 30 DGEDHN COc1ccc([C@@H](NCCOc2ccccc2C#N)C2CC2)cn1 ZINC000528851014 435029529 /nfs/dbraw/zinc/02/95/29/435029529.db2.gz WPKYXBISDFLMKX-IBGZPJMESA-N 0 3 323.396 3.082 20 30 DGEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000524812217 434993929 /nfs/dbraw/zinc/99/39/29/434993929.db2.gz YQAYCDFZAPDPQE-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCCN1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464760914 434996872 /nfs/dbraw/zinc/99/68/72/434996872.db2.gz BRGMGEVRCXXDAA-HNNXBMFYSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525122442 435004794 /nfs/dbraw/zinc/00/47/94/435004794.db2.gz FXVSBPZSDXKSDL-HKUYNNGSSA-N 0 3 312.457 3.313 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525122443 435005972 /nfs/dbraw/zinc/00/59/72/435005972.db2.gz FXVSBPZSDXKSDL-IEBWSBKVSA-N 0 3 312.457 3.313 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000576938412 435058780 /nfs/dbraw/zinc/05/87/80/435058780.db2.gz UJEXJHQHFNYJET-VHSSKADRSA-N 0 3 310.397 3.100 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000466366832 435073073 /nfs/dbraw/zinc/07/30/73/435073073.db2.gz MDGQVFWRWPYKFK-QGZVFWFLSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000466409540 435075664 /nfs/dbraw/zinc/07/56/64/435075664.db2.gz MMOUKUZWEHATRY-QGZVFWFLSA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)c2c(C)cc(C)cc2C)C1=O ZINC000532217122 435148261 /nfs/dbraw/zinc/14/82/61/435148261.db2.gz LTADEDPUZLQKAZ-DLBZAZTESA-N 0 3 300.446 3.392 20 30 DGEDHN CC(C)C[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000466745009 435091511 /nfs/dbraw/zinc/09/15/11/435091511.db2.gz XDQRGBWATYSKBG-MRXNPFEDSA-N 0 3 305.466 3.039 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466928962 435101357 /nfs/dbraw/zinc/10/13/57/435101357.db2.gz LGOJGYWZGBNUSY-MAUKXSAKSA-N 0 3 319.493 3.247 20 30 DGEDHN Cc1nc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)ccc1C#N ZINC000558996327 435118518 /nfs/dbraw/zinc/11/85/18/435118518.db2.gz YPCSTPZOUMGBLU-INIZCTEOSA-N 0 3 314.820 3.630 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(OC)CCCCC1)C(C)C ZINC000475298359 435189067 /nfs/dbraw/zinc/18/90/67/435189067.db2.gz RRSUYNYWBGHPQO-KRWDZBQOSA-N 0 3 322.493 3.151 20 30 DGEDHN N#Cc1c(NC(=O)CCN2C3CCC2CC3)sc2c1CCC2 ZINC000532916408 435199240 /nfs/dbraw/zinc/19/92/40/435199240.db2.gz QJGDQHIQWWXNQQ-UHFFFAOYSA-N 0 3 315.442 3.064 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2OC)C12CCCC2 ZINC000580010500 435199528 /nfs/dbraw/zinc/19/95/28/435199528.db2.gz GAJVUASYKCMUOQ-QZTJIDSGSA-N 0 3 314.429 3.394 20 30 DGEDHN COC(=O)C[C@H](NCc1ccc(C#N)s1)C1CCCCC1 ZINC000580089629 435205419 /nfs/dbraw/zinc/20/54/19/435205419.db2.gz QFLAOEHMPAEGRQ-HNNXBMFYSA-N 0 3 306.431 3.221 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)cc2Cl)CC1 ZINC000474698877 435157678 /nfs/dbraw/zinc/15/76/78/435157678.db2.gz SXTXKKPXOCTKPU-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000474844800 435163281 /nfs/dbraw/zinc/16/32/81/435163281.db2.gz XAOIKQMLEOTRLU-LJQANCHMSA-N 0 3 315.461 3.342 20 30 DGEDHN C[C@H]1C[C@@H](Nc2cccc(Br)c2C#N)CN1C1CC1 ZINC000579657695 435171352 /nfs/dbraw/zinc/17/13/52/435171352.db2.gz FVEICCWMTYKDNS-WDEREUQCSA-N 0 3 320.234 3.358 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000496516876 435219748 /nfs/dbraw/zinc/21/97/48/435219748.db2.gz ZKFCSASGKDUDAC-RYUDHWBXSA-N 0 3 323.462 3.401 20 30 DGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CCC1 ZINC000496629176 435234953 /nfs/dbraw/zinc/23/49/53/435234953.db2.gz YRGHVQFCISTEIX-CABCVRRESA-N 0 3 321.465 3.305 20 30 DGEDHN CC(C)[C@H]1CN(CCCOc2cccc(C#N)c2)CCS1 ZINC000477283193 435264351 /nfs/dbraw/zinc/26/43/51/435264351.db2.gz UDRSSSGTWLVSRI-QGZVFWFLSA-N 0 3 304.459 3.401 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496871312 435266968 /nfs/dbraw/zinc/26/69/68/435266968.db2.gz AHUVLGYIQKYCDW-QKPAOTATSA-N 0 3 321.465 3.161 20 30 DGEDHN C[C@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000496972283 435277875 /nfs/dbraw/zinc/27/78/75/435277875.db2.gz CBIPKNVVBLBGNM-KBXCAEBGSA-N 0 3 323.396 3.330 20 30 DGEDHN COC(=O)[C@H](CCN1CCC(CCC#N)CC1)c1ccccc1 ZINC000566066572 435282604 /nfs/dbraw/zinc/28/26/04/435282604.db2.gz ZCIBXDDKDZNKCT-GOSISDBHSA-N 0 3 314.429 3.349 20 30 DGEDHN COc1ccc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000566927582 435289917 /nfs/dbraw/zinc/28/99/17/435289917.db2.gz HNJLLNVOYRNPCG-GJZGRUSLSA-N 0 3 300.402 3.231 20 30 DGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000567323072 435306917 /nfs/dbraw/zinc/30/69/17/435306917.db2.gz MYAHNNPEHUBPLC-VQIMIIECSA-N 0 3 317.477 3.087 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](COc2ccccc2)C1 ZINC000505856286 435308068 /nfs/dbraw/zinc/30/80/68/435308068.db2.gz ISTXKJAZWIHUPW-QGZVFWFLSA-N 0 3 322.408 3.468 20 30 DGEDHN N#Cc1cccc(OCCCN2CCOC3(CCCCC3)C2)c1 ZINC000477270192 435263499 /nfs/dbraw/zinc/26/34/99/435263499.db2.gz COTRQCJHWLXJRX-UHFFFAOYSA-N 0 3 314.429 3.362 20 30 DGEDHN C=C(CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C)c1ccccc1 ZINC000479306941 435327234 /nfs/dbraw/zinc/32/72/34/435327234.db2.gz DDWMIAXBLLZJQN-DLBZAZTESA-N 0 3 315.461 3.262 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc([C@H]3CCOC3)c2)nc(C)n1 ZINC000535650689 435340787 /nfs/dbraw/zinc/34/07/87/435340787.db2.gz LAYYEZULZCVOHO-DLBZAZTESA-N 0 3 321.380 3.087 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCC(F)(F)C1)C(C)C ZINC000479683039 435348366 /nfs/dbraw/zinc/34/83/66/435348366.db2.gz GVXSRTSCPLHTAO-GJZGRUSLSA-N 0 3 314.420 3.237 20 30 DGEDHN C=CCOc1ccc(CN2CCN(C)CC[C@@H]2C)cc1Cl ZINC000537636486 435456064 /nfs/dbraw/zinc/45/60/64/435456064.db2.gz DOAFAKYHLPFUSC-AWEZNQCLSA-N 0 3 308.853 3.431 20 30 DGEDHN C[C@@H]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000482704735 435479667 /nfs/dbraw/zinc/47/96/67/435479667.db2.gz JQTMNZXLNNLKAM-RGCFKVTRSA-N 0 3 323.440 3.429 20 30 DGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000514611325 435425040 /nfs/dbraw/zinc/42/50/40/435425040.db2.gz JLDXINXKCTUCHL-YZGWKJHDSA-N 0 3 321.424 3.394 20 30 DGEDHN Clc1ccc(C#CCN2CCC[C@H](n3ccnn3)CC2)cc1 ZINC000639837558 435434549 /nfs/dbraw/zinc/43/45/49/435434549.db2.gz FFCLOFAITYYWJF-KRWDZBQOSA-N 0 3 314.820 3.010 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000537399479 435441532 /nfs/dbraw/zinc/44/15/32/435441532.db2.gz VQYGFYCFBHMPCO-MSOLQXFVSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000538813483 435525576 /nfs/dbraw/zinc/52/55/76/435525576.db2.gz SAQIHDPDPJSIKB-HOCLYGCPSA-N 0 3 309.837 3.498 20 30 DGEDHN CN(C(=O)CN1CCC[C@H]1C1CCCC1)C1(C#N)CCCCC1 ZINC000515510475 435487617 /nfs/dbraw/zinc/48/76/17/435487617.db2.gz MGWSDYUAMRMWSL-KRWDZBQOSA-N 0 3 317.477 3.326 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)CCc1ccccc1F ZINC000569617843 435547426 /nfs/dbraw/zinc/54/74/26/435547426.db2.gz RVMVXPMMVPQGKE-UHFFFAOYSA-N 0 3 312.388 3.388 20 30 DGEDHN C[C@@H](NC[C@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000517047955 435571084 /nfs/dbraw/zinc/57/10/84/435571084.db2.gz FGXJGPTUEDAGPW-FZKQIMNGSA-N 0 3 314.816 3.466 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000649235076 435544676 /nfs/dbraw/zinc/54/46/76/435544676.db2.gz ZMCLAGOGBHINKC-SFHVURJKSA-N 0 3 301.430 3.135 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccccc1OC(F)(F)F ZINC000539297681 435544836 /nfs/dbraw/zinc/54/48/36/435544836.db2.gz RIFBNRLGZIURGW-RYUDHWBXSA-N 0 3 303.324 3.420 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000517773221 435611823 /nfs/dbraw/zinc/61/18/23/435611823.db2.gz WECCPTSGNXKOMB-AEFFLSMTSA-N 0 3 313.445 3.033 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3ccccc3n2)CC1 ZINC000640523073 435598869 /nfs/dbraw/zinc/59/88/69/435598869.db2.gz LVNCNWDNNVSXEU-UHFFFAOYSA-N 0 3 324.428 3.397 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)CC(C)(C)C2)CC1 ZINC000541324315 435643391 /nfs/dbraw/zinc/64/33/91/435643391.db2.gz WRLFPSLACPLWGK-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)CC(C)(C)C1 ZINC000541324045 435644241 /nfs/dbraw/zinc/64/42/41/435644241.db2.gz HXVGRBUXXZCMCT-LSDHHAIUSA-N 0 3 305.466 3.086 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000490495759 435658430 /nfs/dbraw/zinc/65/84/30/435658430.db2.gz KZOKXCAPKGGHHX-PBHICJAKSA-N 0 3 323.396 3.040 20 30 DGEDHN C[C@@H]1C[C@@H]1N1CCN(c2c(Cl)cccc2C#N)C[C@@H](C)C1 ZINC000488718336 435639922 /nfs/dbraw/zinc/63/99/22/435639922.db2.gz VLCCGIZOADOPPZ-ZENOOKHLSA-N 0 3 303.837 3.378 20 30 DGEDHN CCC#C[C@H](C)N1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649780662 435701751 /nfs/dbraw/zinc/70/17/51/435701751.db2.gz FYPDDXMKOKZXEY-OFQRWUPVSA-N 0 3 301.434 3.249 20 30 DGEDHN CC[C@@H]1CCCC[C@H]1NCc1cccc(C(=O)OC)c1C#N ZINC000548487536 435698811 /nfs/dbraw/zinc/69/88/11/435698811.db2.gz MEBZVMXQQGBRDI-CXAGYDPISA-N 0 3 300.402 3.403 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCN(C)C2(CCCCC2)C1 ZINC000571698176 435729373 /nfs/dbraw/zinc/72/93/73/435729373.db2.gz PCQSTWSTPFVBBZ-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000491406487 435745496 /nfs/dbraw/zinc/74/54/96/435745496.db2.gz OACWFKWGBONBCO-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@@H]2CCCC[C@@H]2C)c1C#N ZINC000548731103 435712677 /nfs/dbraw/zinc/71/26/77/435712677.db2.gz LLLDJXYSVBJFPV-SUMWQHHRSA-N 0 3 300.402 3.355 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@]2(C)Cc2cccc(F)c2)C1=O ZINC000571556219 435717222 /nfs/dbraw/zinc/71/72/22/435717222.db2.gz LOMWAJXXAJZGKM-PKOBYXMFSA-N 0 3 316.420 3.010 20 30 DGEDHN C#CCNC(=O)C1CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000491771782 435809443 /nfs/dbraw/zinc/80/94/43/435809443.db2.gz PLAPWAYMSBPFIH-UHFFFAOYSA-N 0 3 318.486 3.007 20 30 DGEDHN C#CCN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000491630958 435782748 /nfs/dbraw/zinc/78/27/48/435782748.db2.gz QSRGFXHXVQSGKS-UHFFFAOYSA-N 0 3 311.212 3.420 20 30 DGEDHN C=CC[C@@H]1CC[C@H](NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000651790331 435829258 /nfs/dbraw/zinc/82/92/58/435829258.db2.gz SRHOVYADXVFARH-OLZOCXBDSA-N 0 3 313.488 3.376 20 30 DGEDHN C=CC[C@@H]1CC[C@H](NCc2cc(C)nc(N3CCCC3)n2)C1 ZINC000651816552 435838662 /nfs/dbraw/zinc/83/86/62/435838662.db2.gz ZNFFUJJHOUIOCA-CVEARBPZSA-N 0 3 300.450 3.220 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3cncc(Cl)c3)CC2)C1 ZINC000572732950 435860698 /nfs/dbraw/zinc/86/06/98/435860698.db2.gz VJIDCLFJPPHFKD-GXTWGEPZSA-N 0 3 305.809 3.270 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3cncc(Cl)c3)CC2)C1 ZINC000572732952 435860921 /nfs/dbraw/zinc/86/09/21/435860921.db2.gz VJIDCLFJPPHFKD-OCCSQVGLSA-N 0 3 305.809 3.270 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660706224 435864277 /nfs/dbraw/zinc/86/42/77/435864277.db2.gz IVTYSMCBBAZHOY-GJZGRUSLSA-N 0 3 307.482 3.008 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000660707070 435866598 /nfs/dbraw/zinc/86/65/98/435866598.db2.gz LMAGFHLPKUJGNI-QGZVFWFLSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CCc1cc(CN[C@@H](C)COCC2CC2)cc(OC)c1O ZINC000651981856 435883802 /nfs/dbraw/zinc/88/38/02/435883802.db2.gz CZURNTMIDOEJOA-ZDUSSCGKSA-N 0 3 305.418 3.034 20 30 DGEDHN CCN(Cc1ccc(C#N)cn1)[C@H](COC)Cc1ccccc1 ZINC000572981225 435889041 /nfs/dbraw/zinc/88/90/41/435889041.db2.gz WGVBEBLMCWBGBL-IBGZPJMESA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1OC ZINC000652062370 435898960 /nfs/dbraw/zinc/89/89/60/435898960.db2.gz HLLHSYOGBDAVQP-INIZCTEOSA-N 0 3 309.356 3.491 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCCC12CCN(C)CC2 ZINC000665390528 435966015 /nfs/dbraw/zinc/96/60/15/435966015.db2.gz ICAQFTWANGTLJE-DLBZAZTESA-N 0 3 319.493 3.391 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1nnc(C(C)C)s1 ZINC000661114815 435969439 /nfs/dbraw/zinc/96/94/39/435969439.db2.gz MSRDSIUESGNWGS-QWHCGFSZSA-N 0 3 322.478 3.325 20 30 DGEDHN C=CCCC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CCCC1 ZINC000665588899 436012902 /nfs/dbraw/zinc/01/29/02/436012902.db2.gz GSTAWMKLWVQDGU-IRXDYDNUSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000661379573 436048718 /nfs/dbraw/zinc/04/87/18/436048718.db2.gz ZUZQWPOHCUCULY-GJZGRUSLSA-N 0 3 306.475 3.083 20 30 DGEDHN CCC#C[C@@H](C)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000656858510 436063078 /nfs/dbraw/zinc/06/30/78/436063078.db2.gz SSSWJNSLHXGZOA-KGLIPLIRSA-N 0 3 303.368 3.469 20 30 DGEDHN C=CC[C@H](C(=O)N(C)CCN1CCCCC1)c1ccccc1 ZINC000652991722 436085972 /nfs/dbraw/zinc/08/59/72/436085972.db2.gz NQCVUIOJQVCCSW-SFHVURJKSA-N 0 3 300.446 3.291 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000651273291 436158402 /nfs/dbraw/zinc/15/84/02/436158402.db2.gz ILQVSKNGGQKECY-CYBMUJFWSA-N 0 3 306.837 3.210 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cnc3n2[C@H](C)CCC3)n1 ZINC000651259221 436155430 /nfs/dbraw/zinc/15/54/30/436155430.db2.gz JPXYNIQZCIHQPG-GHMZBOCLSA-N 0 3 300.387 3.035 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cnc3n2[C@@H](C)CCC3)n1 ZINC000651259224 436155802 /nfs/dbraw/zinc/15/58/02/436155802.db2.gz JPXYNIQZCIHQPG-WDEREUQCSA-N 0 3 300.387 3.035 20 30 DGEDHN Cc1cc(C)c(NC(=O)N[C@H](C)CN2CCCCC2)c(C)n1 ZINC000331231656 301183308 /nfs/dbraw/zinc/18/33/08/301183308.db2.gz IHPXNTOJUHTECK-CQSZACIVSA-N 0 3 304.438 3.207 20 30 DGEDHN C=CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)C(C)(C)C ZINC000661756281 436178190 /nfs/dbraw/zinc/17/81/90/436178190.db2.gz INALYHHRQXFOMT-UHFFFAOYSA-N 0 3 304.434 3.366 20 30 DGEDHN C=CCN(Cc1cccc(N(CC)CCOC)n1)C(C)(C)C ZINC000661759116 436179248 /nfs/dbraw/zinc/17/92/48/436179248.db2.gz ZJVHOUIVXPUNID-UHFFFAOYSA-N 0 3 305.466 3.341 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)nn1 ZINC000657452862 436208674 /nfs/dbraw/zinc/20/86/74/436208674.db2.gz LREYKCZDHIOJSP-NVXWUHKLSA-N 0 3 314.408 3.419 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1Cl ZINC000657707614 436287242 /nfs/dbraw/zinc/28/72/42/436287242.db2.gz VDZCQRQYFPAQLP-HZPDHXFCSA-N 0 3 307.821 3.298 20 30 DGEDHN C=CCCn1cc(CN[C@@H](C)Cc2ccc(F)cc2C)nn1 ZINC000657560307 436246672 /nfs/dbraw/zinc/24/66/72/436246672.db2.gz GTVXNXYQGGBSPW-AWEZNQCLSA-N 0 3 302.397 3.023 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000662031814 436253114 /nfs/dbraw/zinc/25/31/14/436253114.db2.gz BNLGUNCNOQJGNG-HUUCEWRRSA-N 0 3 309.331 3.025 20 30 DGEDHN C=CCC1(NCc2cc(Cl)cc3c2OCC3)CCOCC1 ZINC000657633351 436265226 /nfs/dbraw/zinc/26/52/26/436265226.db2.gz MPUUCAALDGTWEA-UHFFFAOYSA-N 0 3 307.821 3.490 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)c1cccc2c1CCNC2 ZINC000662453438 436350517 /nfs/dbraw/zinc/35/05/17/436350517.db2.gz YRWFISYUCXFEPA-UHFFFAOYSA-N 0 3 312.438 3.222 20 30 DGEDHN C=C[C@H](CO)NCc1cccc(OCCCc2ccccc2)c1 ZINC000657791333 436305850 /nfs/dbraw/zinc/30/58/50/436305850.db2.gz HNMYYPAURULEFR-LJQANCHMSA-N 0 3 311.425 3.335 20 30 DGEDHN C=CCCC1(CNC(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)CCCC1 ZINC000662620751 436370682 /nfs/dbraw/zinc/37/06/82/436370682.db2.gz QLCYOFJHPVQHBX-BEFAXECRSA-N 0 3 322.493 3.162 20 30 DGEDHN C=CCCC1(CN[C@H](c2nnc[nH]2)c2cccnc2)CCCC1 ZINC000658099667 436374696 /nfs/dbraw/zinc/37/46/96/436374696.db2.gz XVLXSEVRQXOAHJ-INIZCTEOSA-N 0 3 311.433 3.405 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccccc1S(C)(=O)=O ZINC000658033625 436357277 /nfs/dbraw/zinc/35/72/77/436357277.db2.gz GOSREQLWJLNBMR-GDBMZVCRSA-N 0 3 307.459 3.315 20 30 DGEDHN C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000659022740 436459693 /nfs/dbraw/zinc/45/96/93/436459693.db2.gz ROKMYLSJTZMOOC-UHFFFAOYSA-N 0 3 305.397 3.338 20 30 DGEDHN C=CCC[C@H](NC1CCN([C@H]2CCOC2)CC1)c1ccco1 ZINC000658293777 436420279 /nfs/dbraw/zinc/42/02/79/436420279.db2.gz CCVODFURHKIZJQ-IRXDYDNUSA-N 0 3 304.434 3.130 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC3(CCCC3)CC2)CC1 ZINC000664019850 436546507 /nfs/dbraw/zinc/54/65/07/436546507.db2.gz NHDNVSPCYPUUMT-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000660339981 436624603 /nfs/dbraw/zinc/62/46/03/436624603.db2.gz LGMXBPMOZIPYMO-VVLHAWIVSA-N 0 3 305.466 3.142 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(C)C ZINC000183204100 302135181 /nfs/dbraw/zinc/13/51/81/302135181.db2.gz AKFYESGBFFJSBZ-RBUKOAKNSA-N 0 3 313.445 3.090 20 30 DGEDHN N#CC1(CN(CCCOc2ccccc2)C2CCOCC2)CC1 ZINC000362262346 303141424 /nfs/dbraw/zinc/14/14/24/303141424.db2.gz LTUZZRXYIMVWPX-UHFFFAOYSA-N 0 3 314.429 3.240 20 30 DGEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000177687475 312782524 /nfs/dbraw/zinc/78/25/24/312782524.db2.gz QXOJAHHDENHBAW-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H](C)C1CCCCC1 ZINC000544423667 314192280 /nfs/dbraw/zinc/19/22/80/314192280.db2.gz FYKXQVSMPZYZHU-GLJUWKHASA-N 0 3 313.445 3.279 20 30 DGEDHN CN1CC=C(CNc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000544846651 314213966 /nfs/dbraw/zinc/21/39/66/314213966.db2.gz CZOAWAITTDTSER-UHFFFAOYSA-N 0 3 314.339 3.058 20 30 DGEDHN CN1CCCC(C)(C)[C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000562615543 315036444 /nfs/dbraw/zinc/03/64/44/315036444.db2.gz ZIGYHQWMVODJBA-INIZCTEOSA-N 0 3 309.417 3.034 20 30 DGEDHN CC[C@@H](Cc1ccccc1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000565363359 315255959 /nfs/dbraw/zinc/25/59/59/315255959.db2.gz QXAPECDLZQHFPK-SFHVURJKSA-N 0 3 319.412 3.054 20 30 DGEDHN CC(C)(C)[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000566246266 315325443 /nfs/dbraw/zinc/32/54/43/315325443.db2.gz QDIMBNMLEOCNLR-INIZCTEOSA-N 0 3 311.433 3.249 20 30 DGEDHN Cn1cc([C@@H]2CN(Cc3ccc(C#N)cc3F)CC2(C)C)cn1 ZINC000566716810 315369209 /nfs/dbraw/zinc/36/92/09/315369209.db2.gz FNTISMXYHHEEHD-INIZCTEOSA-N 0 3 312.392 3.056 20 30 DGEDHN COC(=O)CC1(NCc2ccc(C#N)c(F)c2)CCCCC1 ZINC000569878036 315609716 /nfs/dbraw/zinc/60/97/16/315609716.db2.gz JFMUBEHGIIJYCK-UHFFFAOYSA-N 0 3 304.365 3.053 20 30 DGEDHN CCN1CCN(c2cccc(Nc3nc(C)ccc3C#N)c2)CC1 ZINC000576538791 316141028 /nfs/dbraw/zinc/14/10/28/316141028.db2.gz WDQLFYYSCBXTGR-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CN1CC=C(CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000576650534 316153275 /nfs/dbraw/zinc/15/32/75/316153275.db2.gz YMAOHWWCAUTNRG-UHFFFAOYSA-N 0 3 310.445 3.241 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000182928908 323316075 /nfs/dbraw/zinc/31/60/75/323316075.db2.gz UJOOHFSRBYPKSV-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000183401978 323336497 /nfs/dbraw/zinc/33/64/97/323336497.db2.gz REXCRKHFUVTFJR-IBGZPJMESA-N 0 3 319.408 3.108 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000580991800 324061451 /nfs/dbraw/zinc/06/14/51/324061451.db2.gz VPFHTOJTFXUYKQ-PKOBYXMFSA-N 0 3 310.397 3.039 20 30 DGEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000583281760 324335234 /nfs/dbraw/zinc/33/52/34/324335234.db2.gz KLPRAROYKQNUPE-HNNXBMFYSA-N 0 3 319.836 3.158 20 30 DGEDHN CC(C)CC[C@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000583322917 324339410 /nfs/dbraw/zinc/33/94/10/324339410.db2.gz HCHRBDXKEIDLMP-QGZVFWFLSA-N 0 3 311.433 3.392 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000180523736 331571541 /nfs/dbraw/zinc/57/15/41/331571541.db2.gz QPJABOHTSONKJF-OAHLLOKOSA-N 0 3 309.479 3.349 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(Sc2ccccc2)CCCC1 ZINC000068951683 331806125 /nfs/dbraw/zinc/80/61/25/331806125.db2.gz PELOWKDFZLXWRS-HNNXBMFYSA-N 0 3 318.486 3.372 20 30 DGEDHN CC(C)(CC#N)CNC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000566122113 331977174 /nfs/dbraw/zinc/97/71/74/331977174.db2.gz XWPDZXCSOGNOGR-ZDUSSCGKSA-N 0 3 314.351 3.138 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000518500902 332068438 /nfs/dbraw/zinc/06/84/38/332068438.db2.gz DUMGWEFJQPRAQV-UONOGXRCSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN(C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000181301196 332189728 /nfs/dbraw/zinc/18/97/28/332189728.db2.gz XTQCHYYSJPNEOV-GFCCVEGCSA-N 0 3 304.217 3.241 20 30 DGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000150902866 332198121 /nfs/dbraw/zinc/19/81/21/332198121.db2.gz BRUIKVYTEQQGAM-HNNXBMFYSA-N 0 3 306.454 3.469 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CCC)C2)CC1 ZINC000150746025 332416655 /nfs/dbraw/zinc/41/66/55/332416655.db2.gz UIVZAPGJHZKPIM-MRXNPFEDSA-N 0 3 307.482 3.249 20 30 DGEDHN CC(C)N(C)c1ccc(CN2CCC(CCC#N)CC2)cn1 ZINC000574811118 332431943 /nfs/dbraw/zinc/43/19/43/332431943.db2.gz AGERWWJDWHOMKZ-UHFFFAOYSA-N 0 3 300.450 3.442 20 30 DGEDHN C=CCC(C)(C)CNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000293718544 335112535 /nfs/dbraw/zinc/11/25/35/335112535.db2.gz GIWOBEWHSOQJPB-HUUCEWRRSA-N 0 3 301.386 3.009 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000295241501 335134369 /nfs/dbraw/zinc/13/43/69/335134369.db2.gz CXOYDFSJHSVPFV-IRXDYDNUSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000188546411 333373544 /nfs/dbraw/zinc/37/35/44/333373544.db2.gz YZTPGXGRNZPTQH-SFHVURJKSA-N 0 3 317.433 3.095 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000272045647 334030285 /nfs/dbraw/zinc/03/02/85/334030285.db2.gz PHSYBPQPWJCJQV-OALUTQOASA-N 0 3 313.445 3.090 20 30 DGEDHN C=CCN(CCC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000293686633 334200767 /nfs/dbraw/zinc/20/07/67/334200767.db2.gz HNZOWCNLRWXOMS-UHFFFAOYSA-N 0 3 311.429 3.214 20 30 DGEDHN COc1ccccc1O[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000293732118 334201441 /nfs/dbraw/zinc/20/14/41/334201441.db2.gz ZHXIYDAIDSRHIC-ARFHVFGLSA-N 0 3 300.402 3.231 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000534578874 334288670 /nfs/dbraw/zinc/28/86/70/334288670.db2.gz ZVYMIAIYYFKLET-ZIAGYGMSSA-N 0 3 320.392 3.453 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000049375655 334327073 /nfs/dbraw/zinc/32/70/73/334327073.db2.gz KPUMTJDPFSGAFD-UHFFFAOYSA-N 0 3 311.212 3.277 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000535153743 334373114 /nfs/dbraw/zinc/37/31/14/334373114.db2.gz XIALGCNUUOZKFX-GOSISDBHSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCSCCNCc1cc(Br)ccc1OC ZINC000222062415 337176070 /nfs/dbraw/zinc/17/60/70/337176070.db2.gz RHALRJIKOQWILF-UHFFFAOYSA-N 0 3 316.264 3.467 20 30 DGEDHN C=CCOc1ccccc1CNC[C@H](O)Cc1ccc(F)cc1 ZINC000582840881 337207798 /nfs/dbraw/zinc/20/77/98/337207798.db2.gz OWJHVOMCXIXODQ-GOSISDBHSA-N 0 3 315.388 3.084 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CC(C)C1)c1ccccc1 ZINC000321543893 337634211 /nfs/dbraw/zinc/63/42/11/337634211.db2.gz VAAMXMUHGOACRI-URSIVYNOSA-N 0 3 313.445 3.126 20 30 DGEDHN CC(C)(C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccc(F)c1 ZINC000527128605 337732732 /nfs/dbraw/zinc/73/27/32/337732732.db2.gz FZFHJYSPLBPPQB-INIZCTEOSA-N 0 3 317.408 3.065 20 30 DGEDHN C=C[C@@H](C)NCc1cc(Br)c2c(c1)OCCCO2 ZINC000123201456 337958249 /nfs/dbraw/zinc/95/82/49/337958249.db2.gz RWSXUTZPSMKJIR-SNVBAGLBSA-N 0 3 312.207 3.275 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000499150924 340031239 /nfs/dbraw/zinc/03/12/39/340031239.db2.gz MNWVWRIYUFWIEU-MRXNPFEDSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](C)C2(c3ccccc3)CCCC2)C1=O ZINC000499632225 340041791 /nfs/dbraw/zinc/04/17/91/340041791.db2.gz DOJUCRHQVGHGCJ-FUHWJXTLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)c(O)c1)C(C)C ZINC000500629842 340064139 /nfs/dbraw/zinc/06/41/39/340064139.db2.gz FTWKVZIWBQRPGK-KRWDZBQOSA-N 0 3 316.445 3.129 20 30 DGEDHN C=CCCCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000502162786 340096153 /nfs/dbraw/zinc/09/61/53/340096153.db2.gz AIUAAKIEJGKLOJ-WBVHZDCISA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)[C@@H](C)CC ZINC000507669810 340227834 /nfs/dbraw/zinc/22/78/34/340227834.db2.gz CCGGPBJGFRSISP-KRWDZBQOSA-N 0 3 300.446 3.488 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508894059 340255276 /nfs/dbraw/zinc/25/52/76/340255276.db2.gz KAXOMJPIBMLOSL-NVXWUHKLSA-N 0 3 303.450 3.204 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000510297606 340295340 /nfs/dbraw/zinc/29/53/40/340295340.db2.gz KTNLPZNXVJBRBH-RYQLBKOJSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2[C@H](C)CCC[C@H]2C)CC1 ZINC000176055063 340424929 /nfs/dbraw/zinc/42/49/29/340424929.db2.gz FZTWKLMGGQPOKJ-HUUCEWRRSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC(CCC(C)C)CC2)CC1 ZINC000177239753 340437984 /nfs/dbraw/zinc/43/79/84/340437984.db2.gz KLFAHKQTAOSSRJ-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CO[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000184984798 340496956 /nfs/dbraw/zinc/49/69/56/340496956.db2.gz AVBJONWIQUNFOX-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000185030383 340497376 /nfs/dbraw/zinc/49/73/76/340497376.db2.gz SKEYFEXVDVYTHI-SFHVURJKSA-N 0 3 300.446 3.162 20 30 DGEDHN C=CCc1cc(C[NH+]2CCC(CCOC)CC2)c([O-])c(OC)c1 ZINC000530096994 340779146 /nfs/dbraw/zinc/77/91/46/340779146.db2.gz MXGHXMYDOJLRJF-UHFFFAOYSA-N 0 3 319.445 3.378 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CC(C)(C)C)CC(C)(C)C ZINC000538220836 340813895 /nfs/dbraw/zinc/81/38/95/340813895.db2.gz YIJDCASRIPNKTD-GOSISDBHSA-N 0 3 309.498 3.435 20 30 DGEDHN C=CCNC(=O)CN[C@@H](Cc1ccc(C)cc1)c1ccc(C)cc1 ZINC000539681222 340895794 /nfs/dbraw/zinc/89/57/94/340895794.db2.gz BOAFILDFEVOFKH-FQEVSTJZSA-N 0 3 322.452 3.479 20 30 DGEDHN CCN(C(=O)[C@@H](C)N1CCC(CC#N)CC1)C1CCCCC1 ZINC000541023575 340956617 /nfs/dbraw/zinc/95/66/17/340956617.db2.gz BTHIWHYMHCTOBE-OAHLLOKOSA-N 0 3 305.466 3.182 20 30 DGEDHN C#CCN1CCC(C(=O)NC2(c3ccccc3)CCCCC2)CC1 ZINC000070957128 341020412 /nfs/dbraw/zinc/02/04/12/341020412.db2.gz ARNHEZHWUWUIMO-UHFFFAOYSA-N 0 3 324.468 3.307 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(C)(C)C)C2)CC1 ZINC000543183552 341035592 /nfs/dbraw/zinc/03/55/92/341035592.db2.gz BKFUJSCCHHQXFZ-HNNXBMFYSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000543628672 341051987 /nfs/dbraw/zinc/05/19/87/341051987.db2.gz WAPICBZOLGSTKT-SZMVWBNQSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000132400952 341122036 /nfs/dbraw/zinc/12/20/36/341122036.db2.gz VXBLCMWZXBDOFQ-INIZCTEOSA-N 0 3 300.446 3.392 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C)[C@@H]2CCC)CC1 ZINC000074132423 341129485 /nfs/dbraw/zinc/12/94/85/341129485.db2.gz XGVRTCCVYZZDCL-RDJZCZTQSA-N 0 3 307.482 3.247 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2CC2)c1 ZINC000077194704 341220373 /nfs/dbraw/zinc/22/03/73/341220373.db2.gz AMBBTRUDQQBKGA-MRXNPFEDSA-N 0 3 313.445 3.280 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000077194245 341220393 /nfs/dbraw/zinc/22/03/93/341220393.db2.gz JSYVHPXUILLNBG-HWOWSKLDSA-N 0 3 305.466 3.038 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H](C)N1CCCC1)c1ccccc1 ZINC000547665126 341226203 /nfs/dbraw/zinc/22/62/03/341226203.db2.gz RSDMMFRMDZBAGF-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCOCCN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000549747901 341301897 /nfs/dbraw/zinc/30/18/97/341301897.db2.gz SKAXMUZEXHFUNT-UHFFFAOYSA-N 0 3 301.430 3.401 20 30 DGEDHN CC(C)[C@H](NCC#Cc1cccc(Cl)c1)C1(CO)CCC1 ZINC000550103156 341310125 /nfs/dbraw/zinc/31/01/25/341310125.db2.gz YPNLLQZDUUOASK-KRWDZBQOSA-N 0 3 305.849 3.468 20 30 DGEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000246642253 341354998 /nfs/dbraw/zinc/35/49/98/341354998.db2.gz DKBPGHRZCAZCAX-RTBURBONSA-N 0 3 315.461 3.370 20 30 DGEDHN C=CC[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000248758673 341386387 /nfs/dbraw/zinc/38/63/87/341386387.db2.gz VOVRYRCBHUVEJL-IAOVAPTHSA-N 0 3 308.853 3.266 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000248874521 341388974 /nfs/dbraw/zinc/38/89/74/341388974.db2.gz IXJQOESQKFWJHQ-KVPRVUCYSA-N 0 3 306.356 3.467 20 30 DGEDHN COC(=O)c1cc([C@H](C)N2CCC(CCC#N)CC2)oc1C ZINC000566173241 341549859 /nfs/dbraw/zinc/54/98/59/341549859.db2.gz JUZQVNMXRYCVGO-LBPRGKRZSA-N 0 3 304.390 3.451 20 30 DGEDHN CC(C)[C@H](C(=O)N1CCC(CCC#N)CC1)N1CCCCC1 ZINC000567946044 341642073 /nfs/dbraw/zinc/64/20/73/341642073.db2.gz KMMWVDJCHGRLCQ-QGZVFWFLSA-N 0 3 305.466 3.039 20 30 DGEDHN C=CCC[C@@H](CC)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158624642 341660775 /nfs/dbraw/zinc/66/07/75/341660775.db2.gz HACHVKTUUOFCBL-JKSUJKDBSA-N 0 3 309.475 3.492 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000574605690 341763511 /nfs/dbraw/zinc/76/35/11/341763511.db2.gz AHNAOXUIXVSQMY-QFBILLFUSA-N 0 3 317.477 3.087 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC000171716231 341783277 /nfs/dbraw/zinc/78/32/77/341783277.db2.gz JVUWADXONNTCHE-INIZCTEOSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000172176878 341794307 /nfs/dbraw/zinc/79/43/07/341794307.db2.gz MDBSOMHUXNYJIZ-UHFFFAOYSA-N 0 3 318.852 3.072 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000178570655 533733155 /nfs/dbraw/zinc/73/31/55/533733155.db2.gz OCCBETGRRIBOAG-KBPBESRZSA-N 0 3 314.433 3.109 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000178576430 533731990 /nfs/dbraw/zinc/73/19/90/533731990.db2.gz ZCYPBOBQYPFAHG-SFHVURJKSA-N 0 3 322.412 3.291 20 30 DGEDHN C[C@H]1CC[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429584175 533750665 /nfs/dbraw/zinc/75/06/65/533750665.db2.gz DCTYFSHACWPYRJ-FZMZJTMJSA-N 0 3 305.809 3.271 20 30 DGEDHN COC(=O)C[C@](C)(NCCCCC(C)(C)C#N)c1ccccn1 ZINC000351817396 533746156 /nfs/dbraw/zinc/74/61/56/533746156.db2.gz VYORYEAWEVJUIN-SFHVURJKSA-N 0 3 317.433 3.170 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000443642290 533781519 /nfs/dbraw/zinc/78/15/19/533781519.db2.gz NUOGIKGKWUMBCH-IAGOWNOFSA-N 0 3 313.445 3.301 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000430185857 533948500 /nfs/dbraw/zinc/94/85/00/533948500.db2.gz KTCUHRABXRCVDK-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000302223692 534088118 /nfs/dbraw/zinc/08/81/18/534088118.db2.gz UJZJRCXKGICYAT-AWEZNQCLSA-N 0 3 324.384 3.399 20 30 DGEDHN Cc1ccc(NC(=O)c2ccccc2OCC#N)c(CN(C)C)c1 ZINC000180861854 534192458 /nfs/dbraw/zinc/19/24/58/534192458.db2.gz VBYGLTOJUUPZII-UHFFFAOYSA-N 0 3 323.396 3.211 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470167018 534326093 /nfs/dbraw/zinc/32/60/93/534326093.db2.gz KFWBMUFOUTWIMM-OALUTQOASA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCc1cc(CN[C@@H](C)[C@H](OC)C2CC2)cc(OC)c1O ZINC000449625012 534417384 /nfs/dbraw/zinc/41/73/84/534417384.db2.gz AMEAATBDVUFJEG-SGTLLEGYSA-N 0 3 305.418 3.032 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000489051607 534471345 /nfs/dbraw/zinc/47/13/45/534471345.db2.gz NDKPUGATIYKNMC-SJLPKXTDSA-N 0 3 323.440 3.239 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000494992979 534549031 /nfs/dbraw/zinc/54/90/31/534549031.db2.gz BOAVURNDAGZTFB-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000449549321 534573372 /nfs/dbraw/zinc/57/33/72/534573372.db2.gz WSWCGTDDRJNSQN-OLZOCXBDSA-N 0 3 301.308 3.250 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000449545968 534574244 /nfs/dbraw/zinc/57/42/44/534574244.db2.gz AOXAIXNLUZZXSX-KGLIPLIRSA-N 0 3 301.308 3.408 20 30 DGEDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 ZINC000157511136 522089109 /nfs/dbraw/zinc/08/91/09/522089109.db2.gz KQQMPYDPKLFFIJ-QGZVFWFLSA-N 0 3 310.357 3.181 20 30 DGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000489487673 534694527 /nfs/dbraw/zinc/69/45/27/534694527.db2.gz XCWZGEUGYYGHPE-AWEZNQCLSA-N 0 3 317.389 3.272 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000489836891 534749178 /nfs/dbraw/zinc/74/91/78/534749178.db2.gz BOJIDXNNBNLJSR-HZPDHXFCSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccccc2F)s1 ZINC000449694562 534792059 /nfs/dbraw/zinc/79/20/59/534792059.db2.gz BZWHGIBKIUGAPX-LBPRGKRZSA-N 0 3 306.406 3.366 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccncc1 ZINC000299695242 534817439 /nfs/dbraw/zinc/81/74/39/534817439.db2.gz OFYTUSZGFDMWGD-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](N(CCC(C)(C)C#N)C2CC2)C1 ZINC000494605635 534850315 /nfs/dbraw/zinc/85/03/15/534850315.db2.gz CKZXOYRUSJCCSH-OAHLLOKOSA-N 0 3 321.465 3.400 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CCC(C)(C#N)CC2)C1 ZINC000495417631 534855178 /nfs/dbraw/zinc/85/51/78/534855178.db2.gz BLMVBGNWCGXYKK-SFHVURJKSA-N 0 3 321.465 3.259 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1 ZINC000156642551 525607840 /nfs/dbraw/zinc/60/78/40/525607840.db2.gz OIDHNENAWDOTNX-YOEHRIQHSA-N 0 3 324.403 3.412 20 30 DGEDHN C=CCN(CCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000357531353 526272185 /nfs/dbraw/zinc/27/21/85/526272185.db2.gz RKHVAUZRJAIMBP-UHFFFAOYSA-N 0 3 323.234 3.428 20 30 DGEDHN C=CCN(C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000357528331 526330307 /nfs/dbraw/zinc/33/03/07/526330307.db2.gz LCUPBTFWCPFKQK-IEBWSBKVSA-N 0 3 301.430 3.092 20 30 DGEDHN C=CCN(C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357534801 526330521 /nfs/dbraw/zinc/33/05/21/526330521.db2.gz XXIWBAIYGILVKL-DYVFJYSZSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000171699447 526437753 /nfs/dbraw/zinc/43/77/53/526437753.db2.gz IBUYMFBLRJSJRL-SFHVURJKSA-N 0 3 315.461 3.396 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000359418341 526443206 /nfs/dbraw/zinc/44/32/06/526443206.db2.gz URUUTSMJIZQRKY-MRXNPFEDSA-N 0 3 316.470 3.033 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000171717485 526443904 /nfs/dbraw/zinc/44/39/04/526443904.db2.gz AGABCFHWFAWRTM-DLBZAZTESA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000357819183 526445379 /nfs/dbraw/zinc/44/53/79/526445379.db2.gz KWIJTNWLNGNLKK-QWHCGFSZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000173160790 526445536 /nfs/dbraw/zinc/44/55/36/526445536.db2.gz DZUMJXIVQKVJCL-TZIWHRDSSA-N 0 3 324.468 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)c2c[nH]cc2-c2ccccc2)CC1 ZINC000357819218 526446722 /nfs/dbraw/zinc/44/67/22/526446722.db2.gz LEYDSFIZNFOUGC-UHFFFAOYSA-N 0 3 309.413 3.062 20 30 DGEDHN C=C(C)CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415965996 526452903 /nfs/dbraw/zinc/45/29/03/526452903.db2.gz GBJLFUMRQHBOGE-UHFFFAOYSA-N 0 3 301.312 3.252 20 30 DGEDHN C=CCN1CC[C@@H](N(C)Cc2c(C)ccc3ccccc32)C1=O ZINC000337232802 526468462 /nfs/dbraw/zinc/46/84/62/526468462.db2.gz VVCWLDDCOVZFKC-LJQANCHMSA-N 0 3 308.425 3.367 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@H](C)CCSc2ccccc2)C1=O ZINC000337232869 526472328 /nfs/dbraw/zinc/47/23/28/526472328.db2.gz VYBDGFLHOYHFDP-NVXWUHKLSA-N 0 3 318.486 3.276 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H](C)CCSc2ccccc2)C1=O ZINC000337232871 526502696 /nfs/dbraw/zinc/50/26/96/526502696.db2.gz VYBDGFLHOYHFDP-RDJZCZTQSA-N 0 3 318.486 3.276 20 30 DGEDHN CC(C)(C)OC(=O)c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430779225 526528820 /nfs/dbraw/zinc/52/88/20/526528820.db2.gz ZRQUATXHLVZFTQ-UHFFFAOYSA-N 0 3 300.402 3.425 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)CC(F)(F)F)CC1 ZINC000354648412 526593008 /nfs/dbraw/zinc/59/30/08/526593008.db2.gz JDIZPUXXDXPZLQ-LBPRGKRZSA-N 0 3 321.387 3.057 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000185882856 526663851 /nfs/dbraw/zinc/66/38/51/526663851.db2.gz ZCUAPXXXSGFGRQ-QGZVFWFLSA-N 0 3 312.457 3.159 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000345291367 526669989 /nfs/dbraw/zinc/66/99/89/526669989.db2.gz BYNCWSBTEGYXQD-YOEHRIQHSA-N 0 3 317.433 3.246 20 30 DGEDHN CC(C)(C)[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000355353622 526722159 /nfs/dbraw/zinc/72/21/59/526722159.db2.gz JFQQLWDSOFCKHN-QGZVFWFLSA-N 0 3 313.445 3.444 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000359119350 526726344 /nfs/dbraw/zinc/72/63/44/526726344.db2.gz XPJZFMWGASICNM-CABCVRRESA-N 0 3 317.481 3.041 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000359119358 526726487 /nfs/dbraw/zinc/72/64/87/526726487.db2.gz XPJZFMWGASICNM-LSDHHAIUSA-N 0 3 317.481 3.041 20 30 DGEDHN CC(=O)NCCN(Cc1ccc(C)s1)CC(C)(C)CCC#N ZINC000338954046 526749726 /nfs/dbraw/zinc/74/97/26/526749726.db2.gz VPJYWEFASPKNHN-UHFFFAOYSA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCOCCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000347963921 526750551 /nfs/dbraw/zinc/75/05/51/526750551.db2.gz KDYKBLSSRZSKEL-UHFFFAOYSA-N 0 3 323.383 3.452 20 30 DGEDHN C=CCOCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000347975506 526754109 /nfs/dbraw/zinc/75/41/09/526754109.db2.gz WJPCHCSWXPRREC-INIZCTEOSA-N 0 3 303.402 3.187 20 30 DGEDHN C=CCOCCN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000339075896 526771337 /nfs/dbraw/zinc/77/13/37/526771337.db2.gz MUWONTBWTOJKDT-INIZCTEOSA-N 0 3 318.465 3.234 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000435740198 526780871 /nfs/dbraw/zinc/78/08/71/526780871.db2.gz CNLSMWXXYQQGTG-LBTNJELSSA-N 0 3 317.429 3.089 20 30 DGEDHN C=C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000354128252 526897050 /nfs/dbraw/zinc/89/70/50/526897050.db2.gz SXWDQQJURDFWRU-QGZVFWFLSA-N 0 3 316.420 3.216 20 30 DGEDHN C=CC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000338995598 526983408 /nfs/dbraw/zinc/98/34/08/526983408.db2.gz MWNCZYYUYOVMFX-KSSFIOAISA-N 0 3 316.420 3.386 20 30 DGEDHN CC(C)(CCC#N)CNC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000174342754 526999639 /nfs/dbraw/zinc/99/96/39/526999639.db2.gz YSEDJXGHDVOYQC-OAHLLOKOSA-N 0 3 314.351 3.356 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000343956611 527028067 /nfs/dbraw/zinc/02/80/67/527028067.db2.gz UIHBFVNARLZYSB-UHFFFAOYSA-N 0 3 312.457 3.319 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341452573 527047305 /nfs/dbraw/zinc/04/73/05/527047305.db2.gz ABHCOJRIGOVSLP-NVXWUHKLSA-N 0 3 303.450 3.161 20 30 DGEDHN C=CC[C@@H](CO)NCc1ccc(OCc2csc(C)n2)cc1 ZINC000351591276 527100997 /nfs/dbraw/zinc/10/09/97/527100997.db2.gz CJXOFYHUSFJYLV-HNNXBMFYSA-N 0 3 318.442 3.057 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C2CC2)CC1 ZINC000412845093 527105938 /nfs/dbraw/zinc/10/59/38/527105938.db2.gz VBYGTLVYGGJWHS-SFHVURJKSA-N 0 3 312.457 3.164 20 30 DGEDHN C=CCCCC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000359127297 527108464 /nfs/dbraw/zinc/10/84/64/527108464.db2.gz RJAAHIJHVJQHEB-UHFFFAOYSA-N 0 3 316.445 3.134 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)N(C)Cc2ccco2)CCCC1(C)C ZINC000444784409 527119725 /nfs/dbraw/zinc/11/97/25/527119725.db2.gz NSWMLQYPFNYVCY-INIZCTEOSA-N 0 3 304.434 3.305 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000427809968 527122569 /nfs/dbraw/zinc/12/25/69/527122569.db2.gz XHOQAVBCOFKMGB-MSOLQXFVSA-N 0 3 300.446 3.335 20 30 DGEDHN CC(=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1O ZINC000331331105 527220955 /nfs/dbraw/zinc/22/09/55/527220955.db2.gz HLZYBQLXAAIVEL-UHFFFAOYSA-N 0 3 318.417 3.164 20 30 DGEDHN C=CCCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000337269109 527326359 /nfs/dbraw/zinc/32/63/59/527326359.db2.gz LKFHBDXXLHSICE-UHFFFAOYSA-N 0 3 309.251 3.143 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(CCC)CCN1CCCCCC1 ZINC000345338749 527370873 /nfs/dbraw/zinc/37/08/73/527370873.db2.gz FHEKAYDTEHMEOK-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCn1cccc1C(=O)N(CC)CCN1CCCCCC1 ZINC000346350111 527378717 /nfs/dbraw/zinc/37/87/17/527378717.db2.gz LGYQOAYVLQMZQI-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758646 527401819 /nfs/dbraw/zinc/40/18/19/527401819.db2.gz SKXMASCJWUAKTQ-CZUORRHYSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000180039418 527445729 /nfs/dbraw/zinc/44/57/29/527445729.db2.gz KWJQRSCMSMBZFK-MJGOQNOKSA-N 0 3 313.445 3.338 20 30 DGEDHN C=CCC[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1ccco1 ZINC000353462922 527445808 /nfs/dbraw/zinc/44/58/08/527445808.db2.gz QATPCCKPICXSOG-MRXNPFEDSA-N 0 3 302.418 3.278 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000342191603 527446452 /nfs/dbraw/zinc/44/64/52/527446452.db2.gz JHRJMSDPEWEHNG-CQSZACIVSA-N 0 3 314.351 3.391 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663290 527457190 /nfs/dbraw/zinc/45/71/90/527457190.db2.gz XAZILHDYUMRHQA-GDBMZVCRSA-N 0 3 307.434 3.460 20 30 DGEDHN CC(C)(C#N)CCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000174816487 527461927 /nfs/dbraw/zinc/46/19/27/527461927.db2.gz OQHZRNRVKPOEHH-UHFFFAOYSA-N 0 3 313.445 3.164 20 30 DGEDHN CC(C)(C#N)CCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000282548410 527467589 /nfs/dbraw/zinc/46/75/89/527467589.db2.gz ROTHOOJUWQJNND-KRWDZBQOSA-N 0 3 309.413 3.119 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000337607691 527510255 /nfs/dbraw/zinc/51/02/55/527510255.db2.gz RABIYKJSGPIQEH-HOCLYGCPSA-N 0 3 301.434 3.409 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC1 ZINC000359022626 527539923 /nfs/dbraw/zinc/53/99/23/527539923.db2.gz WEPRQKOFADJSKY-MAUKXSAKSA-N 0 3 313.445 3.009 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000429700575 527575835 /nfs/dbraw/zinc/57/58/35/527575835.db2.gz IKYHFSQMSKYWSW-MRXNPFEDSA-N 0 3 317.477 3.016 20 30 DGEDHN C=CCN(CC=C)Cc1ccc(I)cc1 ZINC000441194023 527643512 /nfs/dbraw/zinc/64/35/12/527643512.db2.gz YIEBJXNHTVZSDN-UHFFFAOYSA-N 0 3 313.182 3.465 20 30 DGEDHN C=CCN(CCC#N)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000359405566 527656277 /nfs/dbraw/zinc/65/62/77/527656277.db2.gz UORMUXIFSMIENH-UHFFFAOYSA-N 0 3 311.429 3.213 20 30 DGEDHN CC(C)(C)CCN1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358687083 527663452 /nfs/dbraw/zinc/66/34/52/527663452.db2.gz OBKKDAOYEHUTCV-UHFFFAOYSA-N 0 3 322.497 3.080 20 30 DGEDHN CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424114680 527683977 /nfs/dbraw/zinc/68/39/77/527683977.db2.gz RZHCVFPMEBMKTK-MRXNPFEDSA-N 0 3 301.434 3.082 20 30 DGEDHN CC(C)CCN(CCC#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000433358802 527712867 /nfs/dbraw/zinc/71/28/67/527712867.db2.gz DVFUKTVJPPVBAV-GOSISDBHSA-N 0 3 315.461 3.468 20 30 DGEDHN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000453264922 536515411 /nfs/dbraw/zinc/51/54/11/536515411.db2.gz JARSABJEMJJWDJ-UYAOXDASSA-N 0 3 306.409 3.393 20 30 DGEDHN CC(C)CSCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428787795 528212008 /nfs/dbraw/zinc/21/20/08/528212008.db2.gz LMWIBUQFCKANQA-INIZCTEOSA-N 0 3 319.474 3.186 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(C#N)cc2)n1 ZINC000155758187 528239755 /nfs/dbraw/zinc/23/97/55/528239755.db2.gz XIIBNGYSFQTQNN-ZDUSSCGKSA-N 0 3 310.382 3.384 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000340184261 528359268 /nfs/dbraw/zinc/35/92/68/528359268.db2.gz RROWDYLOAXIANH-GOSISDBHSA-N 0 3 313.445 3.018 20 30 DGEDHN CCCCN(CC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343264501 528396252 /nfs/dbraw/zinc/39/62/52/528396252.db2.gz VRSDYFXLELDCDH-UPTPFMHGSA-N 0 3 307.482 3.428 20 30 DGEDHN CCC(=O)[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339354007 528448729 /nfs/dbraw/zinc/44/87/29/528448729.db2.gz KALKRRBLNNIBLM-IRXDYDNUSA-N 0 3 312.413 3.119 20 30 DGEDHN CCCCNC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185778565 528551107 /nfs/dbraw/zinc/55/11/07/528551107.db2.gz ZQKSRWUNCSPDOD-WMZOPIPTSA-N 0 3 313.445 3.388 20 30 DGEDHN CCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1[N+](=O)[O-] ZINC000430734344 528605619 /nfs/dbraw/zinc/60/56/19/528605619.db2.gz MGGYOEPLPRVTET-LBPRGKRZSA-N 0 3 303.362 3.338 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCCO1 ZINC000342258469 528731995 /nfs/dbraw/zinc/73/19/95/528731995.db2.gz RIEBWORSJPPMSA-MSOLQXFVSA-N 0 3 314.429 3.032 20 30 DGEDHN CCN(c1ccc(C(=O)C(C#N)c2ccccn2)cn1)C(C)C ZINC000358001454 528932477 /nfs/dbraw/zinc/93/24/77/528932477.db2.gz RMKMNADVCAFOOD-OAHLLOKOSA-N 0 3 308.385 3.201 20 30 DGEDHN CC(C)N1CCN(c2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442874942 529045847 /nfs/dbraw/zinc/04/58/47/529045847.db2.gz RTDNBEOFSNOHCT-FUHWJXTLSA-N 0 3 312.461 3.321 20 30 DGEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000182310172 529159447 /nfs/dbraw/zinc/15/94/47/529159447.db2.gz OZWDZJNLKDSWEX-OAHLLOKOSA-N 0 3 307.825 3.143 20 30 DGEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(C(F)(F)F)c1 ZINC000431449556 529354693 /nfs/dbraw/zinc/35/46/93/529354693.db2.gz NLJITTDPIRHPRN-CMPLNLGQSA-N 0 3 314.307 3.139 20 30 DGEDHN CC(C)CC[C@@H]1CCC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000493685986 534930142 /nfs/dbraw/zinc/93/01/42/534930142.db2.gz TZBUQOKFOQWZDB-CGTJXYLNSA-N 0 3 313.445 3.279 20 30 DGEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2Br)C1(C)C ZINC000451491195 536797501 /nfs/dbraw/zinc/79/75/01/536797501.db2.gz ISLINKKENGSVTR-ZIAGYGMSSA-N 0 3 323.234 3.224 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000096573806 545863400 /nfs/dbraw/zinc/86/34/00/545863400.db2.gz BBZUQGDKOCDEOS-IBGZPJMESA-N 0 3 311.425 3.287 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2onc(C)c21)C(C)C ZINC000193386285 546242659 /nfs/dbraw/zinc/24/26/59/546242659.db2.gz SZHYSXWFHLYVKR-AWEZNQCLSA-N 0 3 315.421 3.037 20 30 DGEDHN Cc1cc(N2CCN(Cc3ccccc3)C(C)(C)C2)cc(C#N)n1 ZINC000308279993 546449324 /nfs/dbraw/zinc/44/93/24/546449324.db2.gz QJYPCVJWSHXSAN-UHFFFAOYSA-N 0 3 320.440 3.363 20 30 DGEDHN C=CCOCCNCc1cc(Br)c(Cl)s1 ZINC000308779510 546449808 /nfs/dbraw/zinc/44/98/08/546449808.db2.gz CBOHLUNUJHFXMY-UHFFFAOYSA-N 0 3 310.644 3.456 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC000329970644 546493827 /nfs/dbraw/zinc/49/38/27/546493827.db2.gz XGNSFDLCRZLTDC-UHFFFAOYSA-N 0 3 317.433 3.091 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513264981 546951761 /nfs/dbraw/zinc/95/17/61/546951761.db2.gz BAJNCDJVTFDOAJ-WMZOPIPTSA-N 0 3 300.446 3.494 20 30 DGEDHN CC(C)c1ccc(CN(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594425903 547031969 /nfs/dbraw/zinc/03/19/69/547031969.db2.gz MOORDGWOXSQNEP-QGZVFWFLSA-N 0 3 301.434 3.180 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667935584 547338434 /nfs/dbraw/zinc/33/84/34/547338434.db2.gz RVCRUSNJZWPYIF-HZPDHXFCSA-N 0 3 309.331 3.214 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2CCC(C3CC3)CC2)CC1 ZINC000668369798 547446314 /nfs/dbraw/zinc/44/63/14/547446314.db2.gz FKFKWYHFXVPMRF-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)cc(C)cc2F)CC1 ZINC000668369662 547446559 /nfs/dbraw/zinc/44/65/59/547446559.db2.gz AOWNFEGSOGHJLD-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000668369427 547446648 /nfs/dbraw/zinc/44/66/48/547446648.db2.gz XKYUOJLLJJHHGL-FQEVSTJZSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCC1(NCc2cc3ccccc3nc2OC)CCOCC1 ZINC000668552768 547477778 /nfs/dbraw/zinc/47/77/78/547477778.db2.gz SYLZVHHYYQKLOY-UHFFFAOYSA-N 0 3 312.413 3.458 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCN(C)C[C@H]1CC)c1ccccc1 ZINC000670379637 547746385 /nfs/dbraw/zinc/74/63/85/547746385.db2.gz HWFKGIAZVCRPDJ-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673235112 547949964 /nfs/dbraw/zinc/94/99/64/547949964.db2.gz KXOVIOPMPJTSDR-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C[C@H](C)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000674957360 548142374 /nfs/dbraw/zinc/14/23/74/548142374.db2.gz TVILCCVVWQZFDW-HOTGVXAUSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000675194028 548170504 /nfs/dbraw/zinc/17/05/04/548170504.db2.gz NDAMTFCOSZOVAK-HNNXBMFYSA-N 0 3 321.490 3.320 20 30 DGEDHN C=CCCOCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000676197650 548330920 /nfs/dbraw/zinc/33/09/20/548330920.db2.gz MHIVVOUCIJRBLD-UHFFFAOYSA-N 0 3 302.418 3.122 20 30 DGEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1ccc2ccccc2n1 ZINC000676771034 548412391 /nfs/dbraw/zinc/41/23/91/548412391.db2.gz KBWTWSMJEPHJHT-AWEZNQCLSA-N 0 3 316.364 3.258 20 30 DGEDHN COCC#CCNC1(c2ccc(Br)cc2)CCC1 ZINC000677818988 548560870 /nfs/dbraw/zinc/56/08/70/548560870.db2.gz NJRHBFITMGTQQN-UHFFFAOYSA-N 0 3 308.219 3.068 20 30 DGEDHN C=CCOc1ccc(CN(CCO)CC(C)(C)C)cc1OC ZINC000678241464 548652906 /nfs/dbraw/zinc/65/29/06/548652906.db2.gz UFBZYTKOPSAOHG-UHFFFAOYSA-N 0 3 307.434 3.100 20 30 DGEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679217890 548848223 /nfs/dbraw/zinc/84/82/23/548848223.db2.gz KHYUROOKLKYOFY-NSHDSACASA-N 0 3 304.217 3.241 20 30 DGEDHN C=CCOCCNCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000679486098 548903516 /nfs/dbraw/zinc/90/35/16/548903516.db2.gz QSWREXNAFHECLD-UHFFFAOYSA-N 0 3 313.445 3.462 20 30 DGEDHN C=CCOCCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000679576121 548919871 /nfs/dbraw/zinc/91/98/71/548919871.db2.gz IBDACPUWMMFUDL-CQSZACIVSA-N 0 3 303.324 3.185 20 30 DGEDHN C=CC[C@@H](CO)NCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000680483866 549058577 /nfs/dbraw/zinc/05/85/77/549058577.db2.gz CMOJBAMUALMAGX-INIZCTEOSA-N 0 3 313.445 3.196 20 30 DGEDHN C=CCCCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000681190667 549173464 /nfs/dbraw/zinc/17/34/64/549173464.db2.gz DAZRWLBTJXXTNM-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN(C)C(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000681674802 549240931 /nfs/dbraw/zinc/24/09/31/549240931.db2.gz TYSPVLYFNQNVKH-MRXNPFEDSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CCC(OC)CC1)C(C)C ZINC000681994985 549273662 /nfs/dbraw/zinc/27/36/62/549273662.db2.gz RAMSDKHRRDLQAI-DAWZGUTISA-N 0 3 322.493 3.006 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000682363947 549309736 /nfs/dbraw/zinc/30/97/36/549309736.db2.gz QKSGOJTVVQWYSA-IBGZPJMESA-N 0 3 316.445 3.184 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC(C)(C)C(F)F)C(C)C ZINC000684253817 549604190 /nfs/dbraw/zinc/60/41/90/549604190.db2.gz UIDNRGCDBOKHAP-ZDUSSCGKSA-N 0 3 317.424 3.028 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000684928849 549719443 /nfs/dbraw/zinc/71/94/43/549719443.db2.gz BTOXEOOVVFORHB-MSOLQXFVSA-N 0 3 315.461 3.257 20 30 DGEDHN COCC#CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000685598147 549780133 /nfs/dbraw/zinc/78/01/33/549780133.db2.gz BLWANFQKUMPOOI-FQEVSTJZSA-N 0 3 309.409 3.218 20 30 DGEDHN CC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCOCC1 ZINC000730419933 574529129 /nfs/dbraw/zinc/52/91/29/574529129.db2.gz FLJGGJRBHYWJST-NSHDSACASA-N 0 3 318.373 3.428 20 30 DGEDHN C#CCCOc1ccc(CNCCOc2ccccc2F)cc1 ZINC000733323152 574615561 /nfs/dbraw/zinc/61/55/61/574615561.db2.gz LKFISIKNWQZWJG-UHFFFAOYSA-N 0 3 313.372 3.396 20 30 DGEDHN C#CCOc1ccccc1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000734159123 574653518 /nfs/dbraw/zinc/65/35/18/574653518.db2.gz GYZVAJZQXRGYHB-YFHOEESVSA-N 0 3 322.364 3.410 20 30 DGEDHN Cc1ccc(N=NC2CCN(Cc3ccccc3)[C@H](C)C2)nn1 ZINC000734299353 574655326 /nfs/dbraw/zinc/65/53/26/574655326.db2.gz NMHAFBHHTUIEKR-OAHLLOKOSA-N 0 3 309.417 3.237 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000734400121 574659785 /nfs/dbraw/zinc/65/97/85/574659785.db2.gz USLVCWWMJKOPDA-KRWDZBQOSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CC[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccncc1 ZINC000734461633 574663460 /nfs/dbraw/zinc/66/34/60/574663460.db2.gz XTRUELMGCHFACW-SFHVURJKSA-N 0 3 309.413 3.190 20 30 DGEDHN COC1CCC(N(C)Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000734474812 574664076 /nfs/dbraw/zinc/66/40/76/574664076.db2.gz FRRSNAAJOLFPTE-UHFFFAOYSA-N 0 3 324.428 3.269 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735408831 574701279 /nfs/dbraw/zinc/70/12/79/574701279.db2.gz RYHZGBKMVWTITI-UHFFFAOYSA-N 0 3 324.432 3.298 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735408831 574701280 /nfs/dbraw/zinc/70/12/80/574701280.db2.gz RYHZGBKMVWTITI-UHFFFAOYSA-N 0 3 324.432 3.298 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735408831 574701281 /nfs/dbraw/zinc/70/12/81/574701281.db2.gz RYHZGBKMVWTITI-UHFFFAOYSA-N 0 3 324.432 3.298 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735408831 574701282 /nfs/dbraw/zinc/70/12/82/574701282.db2.gz RYHZGBKMVWTITI-UHFFFAOYSA-N 0 3 324.432 3.298 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCc3cscn3)nc21 ZINC000735791051 574714788 /nfs/dbraw/zinc/71/47/88/574714788.db2.gz UALBRBTZLGMKOA-GFCCVEGCSA-N 0 3 310.382 3.137 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CCc3cscn3)[nH]c21 ZINC000735791051 574714792 /nfs/dbraw/zinc/71/47/92/574714792.db2.gz UALBRBTZLGMKOA-GFCCVEGCSA-N 0 3 310.382 3.137 20 30 DGEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000736668704 574802493 /nfs/dbraw/zinc/80/24/93/574802493.db2.gz CGAJMGUQECXMJC-AWEZNQCLSA-N 0 3 311.385 3.034 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@H+](CC)C[C@@H]2CCOC2)c1[O-] ZINC000738082804 574858745 /nfs/dbraw/zinc/85/87/45/574858745.db2.gz SWOIINGRVGQECU-HNNXBMFYSA-N 0 3 319.445 3.378 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@@H+](CC)C[C@@H]2CCOC2)c1[O-] ZINC000738082804 574858748 /nfs/dbraw/zinc/85/87/48/574858748.db2.gz SWOIINGRVGQECU-HNNXBMFYSA-N 0 3 319.445 3.378 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC000740736284 574940783 /nfs/dbraw/zinc/94/07/83/574940783.db2.gz MPXIAKBZMCASJZ-LJQANCHMSA-N 0 3 312.457 3.174 20 30 DGEDHN Cc1cccc(C)c1NC(=S)NN=C1CCN(C)[C@@H](C)C1 ZINC000741452782 574958113 /nfs/dbraw/zinc/95/81/13/574958113.db2.gz FKXRYWWKFBABMQ-ZDUSSCGKSA-N 0 3 304.463 3.060 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000741579557 574963275 /nfs/dbraw/zinc/96/32/75/574963275.db2.gz NQJGARKZRJYSNR-DLBZAZTESA-N 0 3 312.498 3.162 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000742179780 574983860 /nfs/dbraw/zinc/98/38/60/574983860.db2.gz LKBXEANVLSWBTO-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCCNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000742383297 574994620 /nfs/dbraw/zinc/99/46/20/574994620.db2.gz YDBIUIPBYUFFME-UHFFFAOYSA-N 0 3 301.821 3.396 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnc2ccsc2c1 ZINC000744028407 575069167 /nfs/dbraw/zinc/06/91/67/575069167.db2.gz HZIUJEDMWOWGDH-CYBMUJFWSA-N 0 3 321.361 3.257 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCCO[C@@H](C)C1 ZINC000738163038 575265054 /nfs/dbraw/zinc/26/50/54/575265054.db2.gz VVLJKACLVBWJMU-AWEZNQCLSA-N 0 3 317.458 3.383 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(C)cc2)CC1 ZINC000729942374 575267512 /nfs/dbraw/zinc/26/75/12/575267512.db2.gz LZSYNXZHGJEILJ-UHFFFAOYSA-N 0 3 303.475 3.322 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000729942076 575267678 /nfs/dbraw/zinc/26/76/78/575267678.db2.gz IFKYGFSSSXBJEA-UHFFFAOYSA-N 0 3 315.486 3.112 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2cc(C)ccc2F)CC1 ZINC000729942783 575267694 /nfs/dbraw/zinc/26/76/94/575267694.db2.gz RNPKLXZDCWGAHM-UHFFFAOYSA-N 0 3 307.438 3.071 20 30 DGEDHN C#CCN(C(=O)NC[C@H](C)N1CCCC[C@@H]1C)C1CCCCC1 ZINC000744834523 575359919 /nfs/dbraw/zinc/35/99/19/575359919.db2.gz OQGMKRKZGLUSJG-IRXDYDNUSA-N 0 3 319.493 3.227 20 30 DGEDHN COc1ccc(CNc2cc(C)nc3ccccc32)cc1C#N ZINC000746711311 575471385 /nfs/dbraw/zinc/47/13/85/575471385.db2.gz SUIQSSWNLKLQAF-UHFFFAOYSA-N 0 3 303.365 3.458 20 30 DGEDHN Cc1ccccc1[C@@H](CO)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000747100155 575496391 /nfs/dbraw/zinc/49/63/91/575496391.db2.gz BDQOPMDQIYXKOQ-HNAYVOBHSA-N 0 3 310.397 3.109 20 30 DGEDHN CCc1ccc(CON=C(N)c2ccc(CN(C)C)cc2)cc1 ZINC000747838990 575545630 /nfs/dbraw/zinc/54/56/30/575545630.db2.gz VNGYVOGGKCKWSN-UHFFFAOYSA-N 0 3 311.429 3.148 20 30 DGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cnn(C)c1 ZINC000750679499 575745102 /nfs/dbraw/zinc/74/51/02/575745102.db2.gz ASTBNLXUPYBWIJ-CMPLNLGQSA-N 0 3 310.382 3.010 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000750880744 575757696 /nfs/dbraw/zinc/75/76/96/575757696.db2.gz WNRODNOICMIDOR-DNVCBOLYSA-N 0 3 312.457 3.064 20 30 DGEDHN CC(C#N)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000752113342 575823740 /nfs/dbraw/zinc/82/37/40/575823740.db2.gz RQXCTIWIPQWWGV-PVAVHDDUSA-N 0 3 300.402 3.041 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000726482292 576026142 /nfs/dbraw/zinc/02/61/42/576026142.db2.gz HKCOJWZZTRPQNS-HNNXBMFYSA-N 0 3 315.486 3.075 20 30 DGEDHN Clc1ccc(N=NC2CCCC[C@H]2N2CCCCC2)nn1 ZINC000748779141 576083968 /nfs/dbraw/zinc/08/39/68/576083968.db2.gz WEKILZFQBMYLEB-CYBMUJFWSA-N 0 3 307.829 3.326 20 30 DGEDHN CC[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000727833001 576148256 /nfs/dbraw/zinc/14/82/56/576148256.db2.gz ICFXMSNTYJWAFC-CHWSQXEVSA-N 0 3 313.426 3.347 20 30 DGEDHN CN1CCN(CCCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC000727833184 576148305 /nfs/dbraw/zinc/14/83/05/576148305.db2.gz SPMYLZCLFKIGPW-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000727953699 576155836 /nfs/dbraw/zinc/15/58/36/576155836.db2.gz MYFARYOLOJTQLE-WMLDXEAASA-N 0 3 314.429 3.368 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCCOC2CCCCC2)cc1 ZINC000728711522 576196996 /nfs/dbraw/zinc/19/69/96/576196996.db2.gz CGHVAKFRJTTYQV-HNNXBMFYSA-N 0 3 302.418 3.416 20 30 DGEDHN C[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916622578 620639749 /nfs/dbraw/zinc/63/97/49/620639749.db2.gz AQDHOCRITMOCSB-STQMWFEESA-N 0 3 313.426 3.347 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000852680543 620640792 /nfs/dbraw/zinc/64/07/92/620640792.db2.gz BCBXYWRINJDEEJ-LJQANCHMSA-N 0 3 308.381 3.242 20 30 DGEDHN C#CCOc1ccccc1CNCCOc1c(C)cccc1C ZINC000916845706 620647453 /nfs/dbraw/zinc/64/74/53/620647453.db2.gz DUXNKHOLUBZLEV-UHFFFAOYSA-N 0 3 309.409 3.484 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(F)cc2C)CC1 ZINC000917142184 620658199 /nfs/dbraw/zinc/65/81/99/620658199.db2.gz UBEJOKFGXQZVJG-AWEZNQCLSA-N 0 3 319.424 3.145 20 30 DGEDHN C#Cc1cccnc1NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000853086227 620667040 /nfs/dbraw/zinc/66/70/40/620667040.db2.gz IFWXLXXGXVREBC-IBGZPJMESA-N 0 3 321.424 3.321 20 30 DGEDHN Cc1cc(C)cc(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000853098982 620668962 /nfs/dbraw/zinc/66/89/62/620668962.db2.gz MYUTUATYVVNJGB-KRWDZBQOSA-N 0 3 312.413 3.004 20 30 DGEDHN C[C@@H](NN=Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000853349701 620688960 /nfs/dbraw/zinc/68/89/60/620688960.db2.gz FQWIABOLDFWRPF-CQSZACIVSA-N 0 3 303.450 3.006 20 30 DGEDHN CC(=NN1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000853380846 620690954 /nfs/dbraw/zinc/69/09/54/620690954.db2.gz ZSJBKMDPAUVGMP-HNNXBMFYSA-N 0 3 301.434 3.122 20 30 DGEDHN C[C@@H]1CN(c2ccccc2C=NN2CCCC[C@@H]2C)CCO1 ZINC000853380964 620690672 /nfs/dbraw/zinc/69/06/72/620690672.db2.gz UJLTUJFUBJTBTM-JKSUJKDBSA-N 0 3 301.434 3.120 20 30 DGEDHN C=CCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000918065149 620695620 /nfs/dbraw/zinc/69/56/20/620695620.db2.gz OSDVFPSVJMTPOF-GOSISDBHSA-N 0 3 315.461 3.430 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000853747859 620732682 /nfs/dbraw/zinc/73/26/82/620732682.db2.gz AEAPXVPQGLKNAZ-LLVKDONJSA-N 0 3 312.339 3.257 20 30 DGEDHN CCCN(CCN1CCCCC1)c1nc(Cl)c(C#N)s1 ZINC000804815052 617674175 /nfs/dbraw/zinc/67/41/75/617674175.db2.gz MYJLQTISOQTTSN-UHFFFAOYSA-N 0 3 312.870 3.370 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891242388 617758681 /nfs/dbraw/zinc/75/86/81/617758681.db2.gz FYMKNUBPODGLIA-CRAIPNDOSA-N 0 3 317.477 3.074 20 30 DGEDHN C=C1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000891395018 617790972 /nfs/dbraw/zinc/79/09/72/617790972.db2.gz UGUDEZIOSCKWLY-SFHVURJKSA-N 0 3 313.445 3.185 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000919785166 620765837 /nfs/dbraw/zinc/76/58/37/620765837.db2.gz WXYQKTQALHEIQR-AEFFLSMTSA-N 0 3 315.461 3.428 20 30 DGEDHN CC(C)CCO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000854112184 620769439 /nfs/dbraw/zinc/76/94/39/620769439.db2.gz QWKOOZQJDKHLQU-GOSISDBHSA-N 0 3 302.418 3.226 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000926541987 618043723 /nfs/dbraw/zinc/04/37/23/618043723.db2.gz UVXCQKCOFQFWAA-RBSFLKMASA-N 0 3 313.445 3.271 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CC(C)(C)CO3)nc21 ZINC000892706256 618143780 /nfs/dbraw/zinc/14/37/80/618143780.db2.gz UDKKLPRJRVUMPU-STQMWFEESA-N 0 3 311.385 3.253 20 30 DGEDHN CC(=O)c1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000920116008 620785424 /nfs/dbraw/zinc/78/54/24/620785424.db2.gz WALMTRYRAUYSDD-OAHLLOKOSA-N 0 3 318.332 3.449 20 30 DGEDHN C=CC[C@H](CO)CNCc1nc(-c2cccc(OC)c2)cs1 ZINC000893284927 618496482 /nfs/dbraw/zinc/49/64/82/618496482.db2.gz VKDYLJDUDLQDOI-ZDUSSCGKSA-N 0 3 318.442 3.093 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895018958 618514470 /nfs/dbraw/zinc/51/44/70/618514470.db2.gz VSIAZEHDWYSBBF-XOKHGSTOSA-N 0 3 318.392 3.185 20 30 DGEDHN N#C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000928217592 618759470 /nfs/dbraw/zinc/75/94/70/618759470.db2.gz RISJCORJGZHWGS-KRWDZBQOSA-N 0 3 311.429 3.048 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000895834028 618839603 /nfs/dbraw/zinc/83/96/03/618839603.db2.gz HBZYHKQTQHFAGQ-MRXNPFEDSA-N 0 3 319.445 3.003 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(COCC)c2)CC1 ZINC000895836110 618840137 /nfs/dbraw/zinc/84/01/37/618840137.db2.gz WQONLWHIDUYGEY-UHFFFAOYSA-N 0 3 319.445 3.135 20 30 DGEDHN C=CCc1cc(CN2C[C@@H](OC)CC[C@H]2C)cc(OC)c1O ZINC000895926643 618849464 /nfs/dbraw/zinc/84/94/64/618849464.db2.gz IZTCDIUGJKIVHM-CJNGLKHVSA-N 0 3 305.418 3.129 20 30 DGEDHN Cc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c([O-])c1 ZINC000896650572 618941189 /nfs/dbraw/zinc/94/11/89/618941189.db2.gz IHFJEFWEEPJWOU-KRWDZBQOSA-N 0 3 322.412 3.044 20 30 DGEDHN Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c([O-])c1 ZINC000896650572 618941190 /nfs/dbraw/zinc/94/11/90/618941190.db2.gz IHFJEFWEEPJWOU-KRWDZBQOSA-N 0 3 322.412 3.044 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000840708148 618981424 /nfs/dbraw/zinc/98/14/24/618981424.db2.gz DGMDOBWYHBDIIC-BXUJETTOSA-N 0 3 314.433 3.022 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H](OCC)C2)ccc1OC ZINC000897068323 619011195 /nfs/dbraw/zinc/01/11/95/619011195.db2.gz JIXQICSNHZEWMV-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN Cc1csc(C[C@H]2CCN(Cc3cc(C#N)cs3)C2)n1 ZINC000897298712 619047951 /nfs/dbraw/zinc/04/79/51/619047951.db2.gz HDPCANZRRORYFP-GFCCVEGCSA-N 0 3 303.456 3.449 20 30 DGEDHN O=C1C=COC2(CCN(Cc3nccc4ccccc43)CC2)C1 ZINC000897602145 619165579 /nfs/dbraw/zinc/16/55/79/619165579.db2.gz HDCNKWDFBPKRSV-UHFFFAOYSA-N 0 3 308.381 3.073 20 30 DGEDHN CCC[C@](C)(NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000897925409 619195781 /nfs/dbraw/zinc/19/57/81/619195781.db2.gz GWIOCGWLXFZAME-IBGZPJMESA-N 0 3 319.412 3.406 20 30 DGEDHN Cc1nc2ccccn2c1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000898277387 619231451 /nfs/dbraw/zinc/23/14/51/619231451.db2.gz XXSLBFVLJUHJNU-CQSZACIVSA-N 0 3 320.396 3.223 20 30 DGEDHN CC(=NN[C@@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000808003266 619248724 /nfs/dbraw/zinc/24/87/24/619248724.db2.gz VROFAEOJLLUYPI-MRXNPFEDSA-N 0 3 303.475 3.496 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000927067373 619261692 /nfs/dbraw/zinc/26/16/92/619261692.db2.gz GGQGTSHPHUXEIC-SJCJKPOMSA-N 0 3 300.381 3.479 20 30 DGEDHN N#CCN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CCCC1 ZINC000900777962 619450233 /nfs/dbraw/zinc/45/02/33/619450233.db2.gz TUXALPDWGVNIOS-UHFFFAOYSA-N 0 3 310.401 3.199 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)N1CCc2ccccc21 ZINC000902770053 619673399 /nfs/dbraw/zinc/67/33/99/619673399.db2.gz BVHSNKPWBBHYHR-GJZGRUSLSA-N 0 3 306.413 3.055 20 30 DGEDHN C[C@H](NCCN1CCCc2ccccc21)c1cc(C#N)ccn1 ZINC000902775975 619674045 /nfs/dbraw/zinc/67/40/45/619674045.db2.gz IKGKROUKPWYTJR-HNNXBMFYSA-N 0 3 306.413 3.057 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902806910 619676051 /nfs/dbraw/zinc/67/60/51/619676051.db2.gz QJWADGVZXPWMDA-WBVHZDCISA-N 0 3 306.413 3.273 20 30 DGEDHN COc1ccc(O[C@@H](C)CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902820299 619679292 /nfs/dbraw/zinc/67/92/92/619679292.db2.gz ASUCYTKYELADPJ-UONOGXRCSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902848367 619683732 /nfs/dbraw/zinc/68/37/32/619683732.db2.gz RFLKTFGYYDWPIC-FHSNZYRGSA-N 0 3 313.376 3.255 20 30 DGEDHN C[C@H](NC[C@@](C)(O)c1ccccc1Cl)c1cc(C#N)ccn1 ZINC000902954281 619696833 /nfs/dbraw/zinc/69/68/33/619696833.db2.gz UPBZHTDXSYYIGG-YVEFUNNKSA-N 0 3 315.804 3.165 20 30 DGEDHN CC[C@H](N[C@H](CC(=O)NC)c1ccccc1)c1cccc(C#N)c1 ZINC000902980273 619699259 /nfs/dbraw/zinc/69/92/59/619699259.db2.gz YWBGTJXKGRQISH-RBUKOAKNSA-N 0 3 321.424 3.476 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(C#N)ccn3)C2)cc1 ZINC000903081588 619712753 /nfs/dbraw/zinc/71/27/53/619712753.db2.gz ONPFTOPGUOCTAG-VQIMIIECSA-N 0 3 320.440 3.187 20 30 DGEDHN CC[C@@H](NCC(C)(C)C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000903101587 619716794 /nfs/dbraw/zinc/71/67/94/619716794.db2.gz JLUNTPVTVZIMAM-KGLIPLIRSA-N 0 3 309.454 3.304 20 30 DGEDHN C[C@H](NC[C@](C)(O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000903312016 619757971 /nfs/dbraw/zinc/75/79/71/619757971.db2.gz XFJGTKNZNWTOHH-SGTLLEGYSA-N 0 3 316.351 3.395 20 30 DGEDHN CC1/C(=C\c2ccc(OCC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905079880 619968026 /nfs/dbraw/zinc/96/80/26/619968026.db2.gz GNJWIFFFSLNGIZ-DAVUEJTQSA-N 0 3 323.274 3.060 20 30 DGEDHN CC1/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)c2ncnn21 ZINC000905081632 619968281 /nfs/dbraw/zinc/96/82/81/619968281.db2.gz SDZPTFMRVUSJSR-YYTPVVGHSA-N 0 3 308.385 3.109 20 30 DGEDHN CC(C)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1[N+](=O)[O-] ZINC000905081111 619968403 /nfs/dbraw/zinc/96/84/03/619968403.db2.gz PFEZOKJJEMPREC-FYTLYHSASA-N 0 3 312.329 3.151 20 30 DGEDHN C=CCOc1ccc(CNC[C@](O)(CC)C(F)(F)F)cc1 ZINC000905256777 619982504 /nfs/dbraw/zinc/98/25/04/619982504.db2.gz RANGXKPOCCUXRW-CQSZACIVSA-N 0 3 303.324 3.044 20 30 DGEDHN CC(C)C1(c2ccccc2)CN(C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905957470 620047457 /nfs/dbraw/zinc/04/74/57/620047457.db2.gz BYESAPSUUUQHMT-SFHVURJKSA-N 0 3 312.457 3.341 20 30 DGEDHN N#CC1(CCCCOC(=O)C2CCN(C3CC3)CC2)CCC1 ZINC000909289044 620249404 /nfs/dbraw/zinc/24/94/04/620249404.db2.gz BCQBFZIETWSYMW-UHFFFAOYSA-N 0 3 304.434 3.268 20 30 DGEDHN CC(C)(C)c1ccccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000911646667 620340124 /nfs/dbraw/zinc/34/01/24/620340124.db2.gz UQVVRHMZZODORL-BIWSTMPVSA-N 0 3 311.429 3.062 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OC(F)(F)F ZINC000912153861 620370597 /nfs/dbraw/zinc/37/05/97/620370597.db2.gz XZHOOXFFZCIVSP-JTQLQIEISA-N 0 3 302.296 3.207 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000912281364 620376610 /nfs/dbraw/zinc/37/66/10/620376610.db2.gz QWPISBLPBQVLIE-HNNXBMFYSA-N 0 3 317.433 3.198 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000912474894 620390183 /nfs/dbraw/zinc/39/01/83/620390183.db2.gz YFMDNNWOUFDNCB-OLZOCXBDSA-N 0 3 300.324 3.090 20 30 DGEDHN C[C@H]1CCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000914771627 620553115 /nfs/dbraw/zinc/55/31/15/620553115.db2.gz GVGGQAJHFOXEFS-ZFWWWQNUSA-N 0 3 320.396 3.098 20 30 DGEDHN N#CC(C(=O)C=Cc1ccccc1F)c1nnc2n1CCCCC2 ZINC000920967406 620830580 /nfs/dbraw/zinc/83/05/80/620830580.db2.gz APYDBQSFXBIDMJ-CFYYFVFUSA-N 0 3 324.359 3.033 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC000921561805 620909537 /nfs/dbraw/zinc/90/95/37/620909537.db2.gz LMAUARJRPDWUJY-XIRDDKMYSA-N 0 3 301.434 3.086 20 30 DGEDHN N#Cc1cc(CN[C@@H]2CCN(c3ncccc3Cl)C2)cs1 ZINC000921837803 620959500 /nfs/dbraw/zinc/95/95/00/620959500.db2.gz RDFSUJKIEILQLA-GFCCVEGCSA-N 0 3 318.833 3.037 20 30 DGEDHN N#Cc1cc(CNC[C@@H]2COC3(CCCCCC3)O2)cs1 ZINC000921972751 620975339 /nfs/dbraw/zinc/97/53/39/620975339.db2.gz IFRCWDYYVQXAFX-CQSZACIVSA-N 0 3 306.431 3.175 20 30 DGEDHN COc1cc(CNCc2ccc3c(c2)C[C@@H](C)O3)ccc1C#N ZINC000922141438 620994382 /nfs/dbraw/zinc/99/43/82/620994382.db2.gz QAHNSSHDEGXXGU-CYBMUJFWSA-N 0 3 308.381 3.180 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1csc(C#N)c1 ZINC000922153561 620996318 /nfs/dbraw/zinc/99/63/18/620996318.db2.gz NZCASKSJYTVMAO-WDEREUQCSA-N 0 3 309.435 3.011 20 30 DGEDHN CC[C@@](C)(CNCc1cc(C#N)ccc1Br)OC ZINC000922160026 620997286 /nfs/dbraw/zinc/99/72/86/620997286.db2.gz SUTUYWWPFHOVCN-AWEZNQCLSA-N 0 3 311.223 3.225 20 30 DGEDHN CC(C)(C)OC(=O)C(C)(C)CCNCc1csc(C#N)c1 ZINC000922197633 621004598 /nfs/dbraw/zinc/00/45/98/621004598.db2.gz IZGDZKVRMFAZEL-UHFFFAOYSA-N 0 3 308.447 3.467 20 30 DGEDHN N#Cc1cc(CNC[C@H]2CSc3ccccc3O2)cs1 ZINC000922209122 621005795 /nfs/dbraw/zinc/00/57/95/621005795.db2.gz ZEYJKPIHAFIQQW-LBPRGKRZSA-N 0 3 302.424 3.263 20 30 DGEDHN CC(C)[C@@H](CNCc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000922223291 621008487 /nfs/dbraw/zinc/00/84/87/621008487.db2.gz AKQYLQWGHISMFH-CQSZACIVSA-N 0 3 308.447 3.323 20 30 DGEDHN N#Cc1ccc(CCNCc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000922237448 621011189 /nfs/dbraw/zinc/01/11/89/621011189.db2.gz YIBADSKMONIHHR-UHFFFAOYSA-N 0 3 300.793 3.144 20 30 DGEDHN C=CCOCCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023176 621146238 /nfs/dbraw/zinc/14/62/38/621146238.db2.gz IHFVPSPPFFRKET-KRWDZBQOSA-N 0 3 302.418 3.005 20 30 DGEDHN Cc1ccc(O[C@H]2CCN(Cc3ccc(CC#N)cc3)C2)nc1 ZINC000858040120 621147398 /nfs/dbraw/zinc/14/73/98/621147398.db2.gz LOCBQLXAFMJFRG-SFHVURJKSA-N 0 3 307.397 3.109 20 30 DGEDHN C#CC[C@H](COC)NCc1cnc(-c2c(F)cccc2F)s1 ZINC000858333964 621176887 /nfs/dbraw/zinc/17/68/87/621176887.db2.gz DZACSTFDBOJPQP-LLVKDONJSA-N 0 3 322.380 3.216 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1cc(C(F)(F)F)ccc1F ZINC000858334748 621177455 /nfs/dbraw/zinc/17/74/55/621177455.db2.gz YLDPOUWBYNCMKN-ZDUSSCGKSA-N 0 3 303.299 3.363 20 30 DGEDHN C#CC[C@@H](COC)NCc1cc(Cl)c(OCC=C)c(OC)c1 ZINC000858335048 621177503 /nfs/dbraw/zinc/17/75/03/621177503.db2.gz UXMJABHBOFUSED-AWEZNQCLSA-N 0 3 323.820 3.041 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000858335456 621177511 /nfs/dbraw/zinc/17/75/11/621177511.db2.gz VLENDMXGBGYUEX-LLVKDONJSA-N 0 3 305.727 3.487 20 30 DGEDHN N#Cc1sc(NC[C@@H]2CCN2C2CCCCC2)nc1Cl ZINC000858681965 621214300 /nfs/dbraw/zinc/21/43/00/621214300.db2.gz ILPHHQSUHUEQGZ-NSHDSACASA-N 0 3 310.854 3.487 20 30 DGEDHN C#CCCOC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000858880669 621228146 /nfs/dbraw/zinc/22/81/46/621228146.db2.gz VREAUYGZLHZLIX-OAHLLOKOSA-N 0 3 320.458 3.271 20 30 DGEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(F)c1 ZINC000116593387 621255657 /nfs/dbraw/zinc/25/56/57/621255657.db2.gz YIGTVNNLNVSCQO-BLLLJJGKSA-N 0 3 316.376 3.087 20 30 DGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2ccccc2s1 ZINC000859248989 621264839 /nfs/dbraw/zinc/26/48/39/621264839.db2.gz OSRWJRZTSMBAHO-RYUDHWBXSA-N 0 3 301.415 3.002 20 30 DGEDHN C=CC[C@@H]1CCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000859446442 621278754 /nfs/dbraw/zinc/27/87/54/621278754.db2.gz ZYSSWNWROCBNSQ-IUODEOHRSA-N 0 3 310.235 3.381 20 30 DGEDHN CC(C)CCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000838786928 621280720 /nfs/dbraw/zinc/28/07/20/621280720.db2.gz LJGNEIZZOPMXJD-INIZCTEOSA-N 0 3 300.402 3.228 20 30 DGEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@@H](O)C2CC2)cc1 ZINC000838880077 621289260 /nfs/dbraw/zinc/28/92/60/621289260.db2.gz ZHUUAOCWLBCBLA-HXUWFJFHSA-N 0 3 324.399 3.470 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCCO1 ZINC000838965029 621307404 /nfs/dbraw/zinc/30/74/04/621307404.db2.gz OSUXTYKEFMASGJ-SMDDNHRTSA-N 0 3 312.291 3.236 20 30 DGEDHN C[C@@H]1C[C@H](OC(=O)CC2(C#N)CC2)CN(Cc2ccccc2)C1 ZINC000839090006 621327157 /nfs/dbraw/zinc/32/71/57/621327157.db2.gz GUVAHBHQPWIMTQ-WBVHZDCISA-N 0 3 312.413 3.134 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000103330353 621348896 /nfs/dbraw/zinc/34/88/96/621348896.db2.gz VELCLLQSQCCBOV-CVEARBPZSA-N 0 3 300.402 3.050 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860463871 621408122 /nfs/dbraw/zinc/40/81/22/621408122.db2.gz JCXSMEGQZJVBPZ-KGLIPLIRSA-N 0 3 304.390 3.179 20 30 DGEDHN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)C(C#N)C(=O)NC(C)C ZINC000753912390 621471206 /nfs/dbraw/zinc/47/12/06/621471206.db2.gz CLGMRPBVJDNVRK-FMKPAKJESA-N 0 3 312.413 3.209 20 30 DGEDHN C[C@H]1CC(N=Nc2ccccc2Br)CN1C1CC1 ZINC000753955257 621474275 /nfs/dbraw/zinc/47/42/75/621474275.db2.gz LEFDPJWKNMHGEB-JTQLQIEISA-N 0 3 308.223 3.474 20 30 DGEDHN CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCN(C)CC1 ZINC000861892599 621543023 /nfs/dbraw/zinc/54/30/23/621543023.db2.gz LJAGRAXWNHEBNX-UHFFFAOYSA-N 0 3 313.445 3.044 20 30 DGEDHN C#CCN(Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CCCC1 ZINC000755038587 621548422 /nfs/dbraw/zinc/54/84/22/621548422.db2.gz AQJQRCTYIZPCBH-UHFFFAOYSA-N 0 3 302.374 3.371 20 30 DGEDHN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000755602182 621580245 /nfs/dbraw/zinc/58/02/45/621580245.db2.gz LNZDOCULDYNRTB-GOEBONIOSA-N 0 3 314.429 3.474 20 30 DGEDHN C#C[C@H](NCc1ccsc1C(F)(F)F)C1CCOCC1 ZINC000862418446 621587385 /nfs/dbraw/zinc/58/73/85/621587385.db2.gz JMXATEJYRTUGJB-LBPRGKRZSA-N 0 3 303.349 3.285 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2c(C)nn(CC(C)C)c2OCC)C1 ZINC000862443841 621590939 /nfs/dbraw/zinc/59/09/39/621590939.db2.gz VKECPMOMHFVROW-MRXNPFEDSA-N 0 3 303.450 3.091 20 30 DGEDHN C#CC[C@H]1CCN(Cc2c(C)nn(CC(C)C)c2OCC)C1 ZINC000862443839 621591044 /nfs/dbraw/zinc/59/10/44/621591044.db2.gz VKECPMOMHFVROW-INIZCTEOSA-N 0 3 303.450 3.091 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000862447546 621591776 /nfs/dbraw/zinc/59/17/76/621591776.db2.gz NVZQOGXVYBAWPU-MRXNPFEDSA-N 0 3 322.408 3.217 20 30 DGEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000756234481 621622562 /nfs/dbraw/zinc/62/25/62/621622562.db2.gz USHJBJOJBYEWDX-CZUORRHYSA-N 0 3 324.380 3.160 20 30 DGEDHN Cc1cc(NN=C(C[C@@H]2CCOC2)c2ccc(F)cc2)ccn1 ZINC000863159496 621643568 /nfs/dbraw/zinc/64/35/68/621643568.db2.gz UCTZNEZVTSZTEU-AWEZNQCLSA-N 0 3 313.376 3.194 20 30 DGEDHN C#CC[C@@H](NCc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000756996276 621677916 /nfs/dbraw/zinc/67/79/16/621677916.db2.gz POHVYZRUDKAGMQ-LJQANCHMSA-N 0 3 316.408 3.430 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](O)c1cc(F)ccc1F ZINC000839548959 621694209 /nfs/dbraw/zinc/69/42/09/621694209.db2.gz VXVCAHLYLJLJPO-KRWDZBQOSA-N 0 3 307.340 3.322 20 30 DGEDHN CN(CCC1CCOCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000757608071 621727887 /nfs/dbraw/zinc/72/78/87/621727887.db2.gz UABXVIBVFBWPOO-UHFFFAOYSA-N 0 3 324.428 3.128 20 30 DGEDHN C#CC[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000805891790 625509884 /nfs/dbraw/zinc/50/98/84/625509884.db2.gz YDVXFTLTPTZPSU-LJQANCHMSA-N 0 3 313.441 3.490 20 30 DGEDHN N#CC(C(=O)CCc1cccnc1)c1ccc2ccccc2n1 ZINC000759187747 621833478 /nfs/dbraw/zinc/83/34/78/621833478.db2.gz NVKNLODUHDZJRN-MRXNPFEDSA-N 0 3 301.349 3.439 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000759655584 621880070 /nfs/dbraw/zinc/88/00/70/621880070.db2.gz OYOWEWWEHGMWEP-DLBZAZTESA-N 0 3 301.434 3.038 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=CSCc2ccco2)nc(C)n1 ZINC000759821003 621893519 /nfs/dbraw/zinc/89/35/19/621893519.db2.gz GCAWEASSDBGUMY-HZRUHFOJSA-N 0 3 313.382 3.310 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cncc1Cl ZINC000865554571 621950806 /nfs/dbraw/zinc/95/08/06/621950806.db2.gz XMHCCUGUWQFVCU-IINYFYTJSA-N 0 3 301.217 3.459 20 30 DGEDHN N#Cc1csc(CN[C@H](Cc2cccnc2)C2CCCC2)n1 ZINC000865835141 622004189 /nfs/dbraw/zinc/00/41/89/622004189.db2.gz ZNJXPCOHDKUGKT-MRXNPFEDSA-N 0 3 312.442 3.301 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccc(Br)o1)C2 ZINC000865847677 622006600 /nfs/dbraw/zinc/00/66/00/622006600.db2.gz HQFYXQZZIOZTJG-CYBMUJFWSA-N 0 3 317.186 3.171 20 30 DGEDHN C[C@@H]1CC(N=Nc2nc(C(F)(F)F)nc3ccccc32)CN1C ZINC000761803652 622030109 /nfs/dbraw/zinc/03/01/09/622030109.db2.gz DULKQAQRKBGJAO-SECBINFHSA-N 0 3 323.322 3.141 20 30 DGEDHN C[C@H]1CC(N=Nc2ccc(OCC(F)(F)F)cc2)CN1C ZINC000761810954 622030353 /nfs/dbraw/zinc/03/03/53/622030353.db2.gz WKURXCVSNLQXMI-JTQLQIEISA-N 0 3 301.312 3.120 20 30 DGEDHN C#CCCc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000762013916 622046048 /nfs/dbraw/zinc/04/60/48/622046048.db2.gz MEHZYDMVWXOGJW-OAHLLOKOSA-N 0 3 313.376 3.154 20 30 DGEDHN C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866392741 622109890 /nfs/dbraw/zinc/10/98/90/622109890.db2.gz GHTMHCOMFQEWDF-ZBFHGGJFSA-N 0 3 313.445 3.036 20 30 DGEDHN C[C@@H]1C[C@H](NC2CCN(c3ccccc3C#N)CC2)c2nccn21 ZINC000866448459 622120387 /nfs/dbraw/zinc/12/03/87/622120387.db2.gz GHHQTRVLQNKKJD-PBHICJAKSA-N 0 3 321.428 3.019 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000121087159 622128919 /nfs/dbraw/zinc/12/89/19/622128919.db2.gz UGYIFQBROKEPIK-LJQANCHMSA-N 0 3 324.424 3.431 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccsc1 ZINC000121608155 622166587 /nfs/dbraw/zinc/16/65/87/622166587.db2.gz RJRGPOAOZNQZSR-TZMCWYRMSA-N 0 3 306.431 3.257 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(C)cc1 ZINC000121768383 622180756 /nfs/dbraw/zinc/18/07/56/622180756.db2.gz YMYMZIKPKRAKCB-GOEBONIOSA-N 0 3 300.402 3.112 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026266 622240504 /nfs/dbraw/zinc/24/05/04/622240504.db2.gz PZFKVGXKAZHVCP-YJBOKZPZSA-N 0 3 306.450 3.121 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2c(C)nn(CC)c2C)cc1 ZINC000765658051 622280143 /nfs/dbraw/zinc/28/01/43/622280143.db2.gz FLCHNRSZUSZHCH-CQSZACIVSA-N 0 3 311.429 3.383 20 30 DGEDHN C#CCCCCCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868815719 622288772 /nfs/dbraw/zinc/28/87/72/622288772.db2.gz KMAUIVXTDYROHY-UHFFFAOYSA-N 0 3 302.418 3.279 20 30 DGEDHN C#CCCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000766896440 622360170 /nfs/dbraw/zinc/36/01/70/622360170.db2.gz OQKRUUOUMOXVRA-UHFFFAOYSA-N 0 3 310.363 3.236 20 30 DGEDHN CC(C)N1CCCC[C@H]1COC(=O)c1sccc1CC#N ZINC000870044028 622428731 /nfs/dbraw/zinc/42/87/31/622428731.db2.gz NLCVCHKYIHPVRZ-AWEZNQCLSA-N 0 3 306.431 3.234 20 30 DGEDHN C#CCN(Cc1ccc(OC)c(OC)c1OC)C1CCCCC1 ZINC000769145270 622501790 /nfs/dbraw/zinc/50/17/90/622501790.db2.gz HJZMCTDJOKMKNH-UHFFFAOYSA-N 0 3 317.429 3.480 20 30 DGEDHN N#Cc1ccc(C(=O)OC[C@@H]2CCN2C2CCCCCC2)o1 ZINC000870731960 622504225 /nfs/dbraw/zinc/50/42/25/622504225.db2.gz CYQAUWPZPTVNCN-AWEZNQCLSA-N 0 3 302.374 3.105 20 30 DGEDHN C=CCOc1cccc(CN2CCC(N(C)CC(F)F)CC2)c1 ZINC000769510055 622536065 /nfs/dbraw/zinc/53/60/65/622536065.db2.gz NLMSDSXPJCBCSF-UHFFFAOYSA-N 0 3 324.415 3.413 20 30 DGEDHN Cc1nccn1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000123521738 622572255 /nfs/dbraw/zinc/57/22/55/622572255.db2.gz FYPPFUXBUAJDPQ-AWEZNQCLSA-N 0 3 322.393 3.192 20 30 DGEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000769960759 622582533 /nfs/dbraw/zinc/58/25/33/622582533.db2.gz HOJSZRWPCAJKSU-VQIMIIECSA-N 0 3 309.409 3.047 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCC[C@@H]2CCOC2=O)c([O-])c1 ZINC000871597287 622645138 /nfs/dbraw/zinc/64/51/38/622645138.db2.gz NIQZSYBIADTEMZ-NFECSFHCSA-N 0 3 318.417 3.001 20 30 DGEDHN CSc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccn1 ZINC000771882068 622809015 /nfs/dbraw/zinc/80/90/15/622809015.db2.gz QFMQSVKBEYMMDJ-ZDUSSCGKSA-N 0 3 313.426 3.384 20 30 DGEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000123980417 622855493 /nfs/dbraw/zinc/85/54/93/622855493.db2.gz YRMMPWPGHUHEQJ-RHSMWYFYSA-N 0 3 312.413 3.256 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@]23CCC[C@H]2OCC3)cc1 ZINC000872313371 622889131 /nfs/dbraw/zinc/88/91/31/622889131.db2.gz KCFAZXSQQASGPJ-CVEARBPZSA-N 0 3 309.331 3.358 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772689741 622928480 /nfs/dbraw/zinc/92/84/80/622928480.db2.gz FWAZSEYLPQQCJP-HNNXBMFYSA-N 0 3 321.417 3.016 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccc(F)cc1 ZINC000772920187 622954114 /nfs/dbraw/zinc/95/41/14/622954114.db2.gz DRFCOYLRILSMQL-GTNSWQLSSA-N 0 3 302.324 3.048 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)c1cccc(F)c1 ZINC000772932583 622954739 /nfs/dbraw/zinc/95/47/39/622954739.db2.gz ZIKWHVIIYPTGCG-DIFFPNOSSA-N 0 3 302.324 3.048 20 30 DGEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1c(C)nn(C)c1C ZINC000772959818 622957873 /nfs/dbraw/zinc/95/78/73/622957873.db2.gz ONKWLZKQDAALEC-QGZVFWFLSA-N 0 3 312.417 3.180 20 30 DGEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773977239 623095260 /nfs/dbraw/zinc/09/52/60/623095260.db2.gz VLQHDOGOZHYDPF-HIFRSBDPSA-N 0 3 300.402 3.084 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NOC1CCOCC1 ZINC000774454339 623147573 /nfs/dbraw/zinc/14/75/73/623147573.db2.gz XNSCVRJFXUBBIY-WPXJZASKSA-N 0 3 300.402 3.479 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873498958 623160495 /nfs/dbraw/zinc/16/04/95/623160495.db2.gz VNLFJVPWBHFJPI-CQSZACIVSA-N 0 3 312.369 3.089 20 30 DGEDHN N#Cc1ccc(OCCCN(Cc2cccnc2)C2CC2)cc1 ZINC000124767993 623228708 /nfs/dbraw/zinc/22/87/08/623228708.db2.gz ZZAHCMKJWIKNLV-UHFFFAOYSA-N 0 3 307.397 3.387 20 30 DGEDHN C#CC[C@@H](NCc1ccccc1CC(=O)OC)c1ccccc1 ZINC000775401186 623268568 /nfs/dbraw/zinc/26/85/68/623268568.db2.gz WEHYJVKZDZXXTJ-LJQANCHMSA-N 0 3 307.393 3.256 20 30 DGEDHN C#CCNC(=O)CN[C@@H](CCC=C)c1ccc(C(F)(F)F)cc1 ZINC000775552177 623288736 /nfs/dbraw/zinc/28/87/36/623288736.db2.gz GGLSXSNBDYLURJ-HNNXBMFYSA-N 0 3 324.346 3.052 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2([C@H](O)C(C)C)CC2)c([O-])c1 ZINC000775629272 623298733 /nfs/dbraw/zinc/29/87/33/623298733.db2.gz CXQLLSDOEXXIST-BAOGCXAUSA-N 0 3 318.461 3.454 20 30 DGEDHN CC(C)(CC#N)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805921369 625638464 /nfs/dbraw/zinc/63/84/64/625638464.db2.gz YBRQVHKRLBECHE-UHFFFAOYSA-N 0 3 300.402 3.379 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874833388 623365109 /nfs/dbraw/zinc/36/51/09/623365109.db2.gz LCDQESYYUPKOHT-CVEARBPZSA-N 0 3 316.470 3.273 20 30 DGEDHN CCn1nc(C)c(CN[C@H](C)c2ccc(OCC#N)cc2)c1C ZINC000776158860 623385620 /nfs/dbraw/zinc/38/56/20/623385620.db2.gz ZJGKGVLPAKVYEW-CYBMUJFWSA-N 0 3 312.417 3.273 20 30 DGEDHN Cc1ccccc1[C@H](CO)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776162830 623386190 /nfs/dbraw/zinc/38/61/90/623386190.db2.gz MPRJUAJECUXYEE-BEFAXECRSA-N 0 3 310.397 3.282 20 30 DGEDHN CN(C)c1ccncc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000776188214 623392927 /nfs/dbraw/zinc/39/29/27/623392927.db2.gz XHSMWCKNVZELLO-UHFFFAOYSA-N 0 3 315.324 3.069 20 30 DGEDHN CC(CN1CCCCCC1)N=Nc1c(F)c(F)nc(F)c1F ZINC000777423829 623523056 /nfs/dbraw/zinc/52/30/56/623523056.db2.gz WKGCASRQEYEDFW-UHFFFAOYSA-N 0 3 318.318 3.302 20 30 DGEDHN C=C(C)CN(C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000777917726 623585428 /nfs/dbraw/zinc/58/54/28/623585428.db2.gz BLQZQNMGZGPVQO-UHFFFAOYSA-N 0 3 317.502 3.033 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000876568894 623647917 /nfs/dbraw/zinc/64/79/17/623647917.db2.gz AIDGVYKCFDXULN-NSHDSACASA-N 0 3 306.715 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(Cl)c1Cl ZINC000876579752 623650495 /nfs/dbraw/zinc/65/04/95/623650495.db2.gz ZKZWKHBHCRVHEG-SNVBAGLBSA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000876586543 623652229 /nfs/dbraw/zinc/65/22/29/623652229.db2.gz JPRKRNKGSMRTHH-WFASDCNBSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000876591257 623653799 /nfs/dbraw/zinc/65/37/99/623653799.db2.gz JSMPASFIYPMEFZ-JKSUJKDBSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000876611367 623659380 /nfs/dbraw/zinc/65/93/80/623659380.db2.gz XYBODEMRMXRLNN-NEPJUHHUSA-N 0 3 300.855 3.421 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000876620683 623662382 /nfs/dbraw/zinc/66/23/82/623662382.db2.gz OXBAUDIEEJATDP-OWCLPIDISA-N 0 3 306.837 3.299 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000876629440 623664885 /nfs/dbraw/zinc/66/48/85/623664885.db2.gz SFXRCABERLXQKZ-LBPRGKRZSA-N 0 3 300.761 3.021 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1ccccc1OC ZINC000876647882 623669465 /nfs/dbraw/zinc/66/94/65/623669465.db2.gz KJPSNSMHUJETSZ-GJZGRUSLSA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000876674845 623678729 /nfs/dbraw/zinc/67/87/29/623678729.db2.gz UUOBGHIKHCXVBE-LZWOXQAQSA-N 0 3 306.837 3.169 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000876691035 623683799 /nfs/dbraw/zinc/68/37/99/623683799.db2.gz YFKVTESSCSCPNC-LSDHHAIUSA-N 0 3 310.800 3.349 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1sc(C)nc1CC(C)C ZINC000876692507 623683916 /nfs/dbraw/zinc/68/39/16/623683916.db2.gz UWRQMPBLNKVOFR-SNVBAGLBSA-N 0 3 301.843 3.058 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)cc1OCCC ZINC000876696955 623684770 /nfs/dbraw/zinc/68/47/70/623684770.db2.gz MQJFWMJKHTUIBE-NSHDSACASA-N 0 3 300.761 3.023 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000876699849 623685949 /nfs/dbraw/zinc/68/59/49/623685949.db2.gz KGERCAAZQZPETE-LDYMZIIASA-N 0 3 305.180 3.126 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCCc2ccc(O)cc2)c1 ZINC000877036401 623772006 /nfs/dbraw/zinc/77/20/06/623772006.db2.gz POOBMKLVAGGSCU-UHFFFAOYSA-N 0 3 301.777 3.035 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000877037455 623772885 /nfs/dbraw/zinc/77/28/85/623772885.db2.gz REZCQRMXFKCFDB-XHSDSOJGSA-N 0 3 306.837 3.457 20 30 DGEDHN C=CC[C@@H](NCc1cccn(C(F)F)c1=O)c1ccncc1 ZINC000877047137 623775215 /nfs/dbraw/zinc/77/52/15/623775215.db2.gz XYQLAHIPWIUUCL-CQSZACIVSA-N 0 3 305.328 3.045 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC2(CCO)CCCCC2)c1 ZINC000877076846 623785993 /nfs/dbraw/zinc/78/59/93/623785993.db2.gz SAAANZNJNUJQMR-UHFFFAOYSA-N 0 3 307.825 3.029 20 30 DGEDHN CCC1(CC)[C@@H](NCc2cc(C#N)cnc2Cl)C[C@@H]1OC ZINC000877109954 623793221 /nfs/dbraw/zinc/79/32/21/623793221.db2.gz JKDQPIUSGDUUKU-KBPBESRZSA-N 0 3 307.825 3.290 20 30 DGEDHN CC/C(C)=C(\C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000779845221 623820227 /nfs/dbraw/zinc/82/02/27/623820227.db2.gz NNBBGXNWJDVUMF-FOCLMDBBSA-N 0 3 313.445 3.195 20 30 DGEDHN C=CCc1cc(CN2CCC(C)(C#N)CC2)c(O)c(OC)c1 ZINC000779880013 623825548 /nfs/dbraw/zinc/82/55/48/623825548.db2.gz VVABSYMSMVLAMR-UHFFFAOYSA-N 0 3 300.402 3.255 20 30 DGEDHN Cc1cnc([C@@H](C)CNCc2cc(C#N)cnc2Cl)s1 ZINC000877340270 623855447 /nfs/dbraw/zinc/85/54/47/623855447.db2.gz IFHYUEYDCGOUPF-VIFPVBQESA-N 0 3 306.822 3.265 20 30 DGEDHN C[C@@]1(CCNCc2cc(C#N)cnc2Cl)C[C@]1(F)Cl ZINC000877611372 623961573 /nfs/dbraw/zinc/96/15/73/623961573.db2.gz PZRLJZGDVPHXFD-CHWSQXEVSA-N 0 3 302.180 3.401 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCC[C@H](CC#N)C1 ZINC000877622372 623966161 /nfs/dbraw/zinc/96/61/61/623966161.db2.gz MBNPALRTAZGVRB-HUUCEWRRSA-N 0 3 307.438 3.012 20 30 DGEDHN N#Cc1cccc(COc2cccc(CNC3CSC3)c2)c1 ZINC000877635458 623971717 /nfs/dbraw/zinc/97/17/17/623971717.db2.gz RSEGNIKEULPKKC-UHFFFAOYSA-N 0 3 310.422 3.342 20 30 DGEDHN C#C[C@@H](NCc1cc(Cl)cc(Cl)c1N)C1CCOCC1 ZINC000877636710 623972648 /nfs/dbraw/zinc/97/26/48/623972648.db2.gz AYQJAZQJWLRZJV-CQSZACIVSA-N 0 3 313.228 3.094 20 30 DGEDHN CC[C@H](C#N)OC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000781186966 624036919 /nfs/dbraw/zinc/03/69/19/624036919.db2.gz LTSGCDOHMJGLQA-HZPDHXFCSA-N 0 3 314.385 3.008 20 30 DGEDHN CC[C@@H](C#N)OC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000781186968 624036998 /nfs/dbraw/zinc/03/69/98/624036998.db2.gz LTSGCDOHMJGLQA-JKSUJKDBSA-N 0 3 314.385 3.008 20 30 DGEDHN CC[C@@H](C#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000781207551 624039209 /nfs/dbraw/zinc/03/92/09/624039209.db2.gz BGKOIQVBWSJDRL-INIZCTEOSA-N 0 3 300.402 3.134 20 30 DGEDHN C[C@H](NC[C@H](O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000781422362 624068966 /nfs/dbraw/zinc/06/89/66/624068966.db2.gz XIYDAIRQXDQLRN-GTNSWQLSSA-N 0 3 302.324 3.221 20 30 DGEDHN CN(C[C@H]1CCCN(CC2(CC#N)CC2)C1)C(=O)OC(C)(C)C ZINC000878022290 624138197 /nfs/dbraw/zinc/13/81/97/624138197.db2.gz YGNPIASCJDKQFJ-OAHLLOKOSA-N 0 3 321.465 3.259 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](N(CC2(CC#N)CC2)C2CC2)C1 ZINC000878286589 624235758 /nfs/dbraw/zinc/23/57/58/624235758.db2.gz JTPVOVGEOOBYOM-HNNXBMFYSA-N 0 3 319.449 3.154 20 30 DGEDHN N#CCC[C@H](NC[C@@H](O)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000878375299 624260625 /nfs/dbraw/zinc/26/06/25/624260625.db2.gz DBDJJJXQBXAARX-UFYCRDLUSA-N 0 3 324.424 3.106 20 30 DGEDHN C#CCCCCCN[C@H](CCSC)c1nnc2ccccn21 ZINC000878415824 624272362 /nfs/dbraw/zinc/27/23/62/624272362.db2.gz YLKVOKRHVVFRFV-OAHLLOKOSA-N 0 3 316.474 3.307 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](Cn3cnc4ccccc43)C2)o1 ZINC000878449773 624281470 /nfs/dbraw/zinc/28/14/70/624281470.db2.gz XRUWACSEMWRXGI-HNNXBMFYSA-N 0 3 320.396 3.413 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CCN2CC2(CC#N)CC2)CC1 ZINC000878597346 624317564 /nfs/dbraw/zinc/31/75/64/624317564.db2.gz QEAREGVUIBBCQN-UHFFFAOYSA-N 0 3 319.449 3.156 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cn1)c1cc2c(cc1O)CCCC2 ZINC000783300990 624336588 /nfs/dbraw/zinc/33/65/88/624336588.db2.gz RWPASLNSDOSTPJ-CYBMUJFWSA-N 0 3 307.397 3.388 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCCCS1 ZINC000783353216 624339617 /nfs/dbraw/zinc/33/96/17/624339617.db2.gz SCLBIFBIADULDV-MFKMUULPSA-N 0 3 322.817 3.273 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CC1(CC#N)CC1 ZINC000878814771 624365541 /nfs/dbraw/zinc/36/55/41/624365541.db2.gz UEMQUQDIZIOKIR-ZIAGYGMSSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)CCNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000783864327 624402354 /nfs/dbraw/zinc/40/23/54/624402354.db2.gz UKJJEPIVCYULTK-INIZCTEOSA-N 0 3 323.481 3.092 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879242960 624458913 /nfs/dbraw/zinc/45/89/13/624458913.db2.gz HNRVKXYPAZZHKW-AZUAARDMSA-N 0 3 322.408 3.265 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H](O)c2ccccc2)cc1F ZINC000879246800 624462203 /nfs/dbraw/zinc/46/22/03/624462203.db2.gz XWMAMOCBHOBICV-RBUKOAKNSA-N 0 3 310.372 3.395 20 30 DGEDHN COC(=O)C[C@](C)(NCC#Cc1ccccc1Cl)C1CC1 ZINC000879442668 624549489 /nfs/dbraw/zinc/54/94/89/624549489.db2.gz XQAJQRRMUNMGEU-KRWDZBQOSA-N 0 3 305.805 3.013 20 30 DGEDHN CC(C)(C#N)CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551591 624585399 /nfs/dbraw/zinc/58/53/99/624585399.db2.gz GKBGSACYJHDOSY-UHFFFAOYSA-N 0 3 302.422 3.456 20 30 DGEDHN N#Cc1ccc(N2CCN(C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000879585708 624598694 /nfs/dbraw/zinc/59/86/94/624598694.db2.gz BHBPOVKTAPRJNK-HNNXBMFYSA-N 0 3 305.372 3.116 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2CCC(C)(C)C#N ZINC000879756178 624667593 /nfs/dbraw/zinc/66/75/93/624667593.db2.gz ZSHOWUDUGXCGSY-LSDHHAIUSA-N 0 3 321.465 3.400 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)s1 ZINC000785617294 624702409 /nfs/dbraw/zinc/70/24/09/624702409.db2.gz YJQKFBRAHPXQJS-CQSZACIVSA-N 0 3 310.781 3.235 20 30 DGEDHN CCN(CCO)c1ccc(C=NNC2CCCCC2)c(C)c1 ZINC000786042402 624784850 /nfs/dbraw/zinc/78/48/50/624784850.db2.gz UYYVOIKZJBEWEJ-UHFFFAOYSA-N 0 3 303.450 3.070 20 30 DGEDHN C=CCCN(C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000786084826 624794318 /nfs/dbraw/zinc/79/43/18/624794318.db2.gz ZCCDUKASNPHCIA-UHFFFAOYSA-N 0 3 317.502 3.033 20 30 DGEDHN CC(C)(C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786567536 624922639 /nfs/dbraw/zinc/92/26/39/624922639.db2.gz DGVMVJYUFUJKLF-LBPRGKRZSA-N 0 3 322.355 3.116 20 30 DGEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786563930 624922713 /nfs/dbraw/zinc/92/27/13/624922713.db2.gz KUUKMLHQOWRUPM-CYBMUJFWSA-N 0 3 322.355 3.260 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCCCC1 ZINC000787068565 624975825 /nfs/dbraw/zinc/97/58/25/624975825.db2.gz NCBXDAZBLXZQPD-KRWDZBQOSA-N 0 3 312.413 3.324 20 30 DGEDHN CCC(CC)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073046 624975868 /nfs/dbraw/zinc/97/58/68/624975868.db2.gz NFYRJRPQCXEIER-MRXNPFEDSA-N 0 3 300.402 3.180 20 30 DGEDHN C[C@@H]1CCC[C@@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787068705 624976035 /nfs/dbraw/zinc/97/60/35/624976035.db2.gz ZIGMPIBMIZQXIZ-DJIMGWMZSA-N 0 3 312.413 3.180 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCC1 ZINC000787075126 624976769 /nfs/dbraw/zinc/97/67/69/624976769.db2.gz VPEXPLUOJKOLTI-WMLDXEAASA-N 0 3 312.413 3.180 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCCCC#N)cc1 ZINC000805855525 625061860 /nfs/dbraw/zinc/06/18/60/625061860.db2.gz JSIOJJBQTMACRQ-INIZCTEOSA-N 0 3 311.385 3.370 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608333 625227032 /nfs/dbraw/zinc/22/70/32/625227032.db2.gz FLZBEIINJIMDHM-NWDGAFQWSA-N 0 3 310.357 3.460 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1COCc2cccc(Cl)c21 ZINC000788801167 625270219 /nfs/dbraw/zinc/27/02/19/625270219.db2.gz LAAMOUSOKCQJLM-PVUWLOKVSA-N 0 3 307.821 3.482 20 30 DGEDHN C=C(C)C[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1 ZINC000791567285 625826164 /nfs/dbraw/zinc/82/61/64/625826164.db2.gz IUQAGCIRPZTNFM-UHFFFAOYSA-N 0 3 314.351 3.133 20 30 DGEDHN C=C(C)C[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1 ZINC000791567285 625826171 /nfs/dbraw/zinc/82/61/71/625826171.db2.gz IUQAGCIRPZTNFM-UHFFFAOYSA-N 0 3 314.351 3.133 20 30 DGEDHN N#CC(C(=O)CCc1ccccn1)c1nccc2ccccc21 ZINC000792091180 625909517 /nfs/dbraw/zinc/90/95/17/625909517.db2.gz KAIGJFVFGYVMNQ-QGZVFWFLSA-N 0 3 301.349 3.439 20 30 DGEDHN N#CC(C(=O)C=C1CCSCC1)c1cnc2ccccc2n1 ZINC000792110557 625910605 /nfs/dbraw/zinc/91/06/05/625910605.db2.gz OJEYNGSFFAYZFB-ZDUSSCGKSA-N 0 3 309.394 3.259 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000792277072 625933320 /nfs/dbraw/zinc/93/33/20/625933320.db2.gz PEMMACLNVUJZSB-GFCCVEGCSA-N 0 3 323.371 3.067 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000131174203 625960198 /nfs/dbraw/zinc/96/01/98/625960198.db2.gz VYYFFWJCFXZLBL-HNNXBMFYSA-N 0 3 305.381 3.481 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000797145622 626118940 /nfs/dbraw/zinc/11/89/40/626118940.db2.gz AYOXJGUQUJXXRV-MRXNPFEDSA-N 0 3 312.413 3.180 20 30 DGEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000797549229 626152032 /nfs/dbraw/zinc/15/20/32/626152032.db2.gz XHZBLDPJSKDEQQ-MGHWNKPDSA-N 0 3 318.376 3.384 20 30 DGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000797548782 626152043 /nfs/dbraw/zinc/15/20/43/626152043.db2.gz OQKJUFWHUSFLSI-HNNXBMFYSA-N 0 3 310.353 3.366 20 30 DGEDHN C#C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)C(C)C ZINC000798512053 626223024 /nfs/dbraw/zinc/22/30/24/626223024.db2.gz WINANNZNMZTAIO-HZPDHXFCSA-N 0 3 321.490 3.088 20 30 DGEDHN CC(C)[C@H](C(=O)C(C#N)c1nc2ccccc2s1)N(C)C ZINC000798813921 626247747 /nfs/dbraw/zinc/24/77/47/626247747.db2.gz AQCHOZZZWWZNLG-SMDDNHRTSA-N 0 3 301.415 3.059 20 30 DGEDHN Cc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cc1C#N ZINC000799321385 626289687 /nfs/dbraw/zinc/28/96/87/626289687.db2.gz BFXWVZMLOPMKOI-UHFFFAOYSA-N 0 3 313.445 3.203 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 ZINC000799503005 626306459 /nfs/dbraw/zinc/30/64/59/626306459.db2.gz GWMDSLYTMKCSJO-UHFFFAOYSA-N 0 3 304.821 3.241 20 30 DGEDHN CCOCC1(C(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000799601068 626312095 /nfs/dbraw/zinc/31/20/95/626312095.db2.gz VBKLNCRUXMSCBM-NSHDSACASA-N 0 3 300.383 3.289 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000800408926 626357049 /nfs/dbraw/zinc/35/70/49/626357049.db2.gz HGDJHKWLXCWIMR-FZMZJTMJSA-N 0 3 322.355 3.116 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000801919707 626425711 /nfs/dbraw/zinc/42/57/11/626425711.db2.gz IGEIBZZRQBGFRK-GUYCJALGSA-N 0 3 322.836 3.014 20 30 DGEDHN C=C(C)CCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000803486861 626618561 /nfs/dbraw/zinc/61/85/61/626618561.db2.gz ULMDOFNORNHVKT-UHFFFAOYSA-N 0 3 317.429 3.014 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000883389856 626670577 /nfs/dbraw/zinc/67/05/77/626670577.db2.gz ABJUTJQWWIVXAD-AAEUAGOBSA-N 0 3 307.825 3.204 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000883390264 626670913 /nfs/dbraw/zinc/67/09/13/626670913.db2.gz IRJKCULOQKVZTB-CABCVRRESA-N 0 3 317.351 3.310 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1CCC)c1ccc(Cl)cc1F ZINC000804421455 626678604 /nfs/dbraw/zinc/67/86/04/626678604.db2.gz XTVFEMXCIDDXTG-HZPDHXFCSA-N 0 3 322.811 3.144 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000804452523 626681301 /nfs/dbraw/zinc/68/13/01/626681301.db2.gz HMTJOJAJUPYEGE-PKOBYXMFSA-N 0 3 312.457 3.002 20 30 DGEDHN CC(=NNCC1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000808006987 626786457 /nfs/dbraw/zinc/78/64/57/626786457.db2.gz KDVOKNQDDUIBNR-UHFFFAOYSA-N 0 3 301.434 3.027 20 30 DGEDHN CCCCCN(CCCCC)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884048240 626811476 /nfs/dbraw/zinc/81/14/76/626811476.db2.gz DYFPIWYSGILLRP-HFCFLWKCSA-N 0 3 319.493 3.335 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC000808980120 626873087 /nfs/dbraw/zinc/87/30/87/626873087.db2.gz UIVYJSVUFAZKNJ-ZDUSSCGKSA-N 0 3 324.833 3.056 20 30 DGEDHN C#Cc1ccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000809568606 626920572 /nfs/dbraw/zinc/92/05/72/626920572.db2.gz TTZLXRCEZQGGBT-QGZVFWFLSA-N 0 3 314.429 3.109 20 30 DGEDHN C#Cc1ccc(CN(CCOCCOC)Cc2ccccc2)cc1 ZINC000809591376 626923405 /nfs/dbraw/zinc/92/34/05/626923405.db2.gz XKEJXKGIZSNALT-UHFFFAOYSA-N 0 3 323.436 3.333 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000809605156 626925125 /nfs/dbraw/zinc/92/51/25/626925125.db2.gz BVJFZDITYRLXOD-UHFFFAOYSA-N 0 3 320.314 3.294 20 30 DGEDHN C#C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)C(C)C ZINC000809685570 626936007 /nfs/dbraw/zinc/93/60/07/626936007.db2.gz BDAWYJNFMVUSMQ-KRWDZBQOSA-N 0 3 301.821 3.332 20 30 DGEDHN COC(=O)c1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000809733386 626943257 /nfs/dbraw/zinc/94/32/57/626943257.db2.gz VBFBBEVFLUAZCH-AWEZNQCLSA-N 0 3 324.380 3.054 20 30 DGEDHN COc1ccc([C@H](C)[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC000810147330 626980886 /nfs/dbraw/zinc/98/08/86/626980886.db2.gz JHTNRXPQRQUMSM-VXGBXAGGSA-N 0 3 301.415 3.305 20 30 DGEDHN C=CC[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccncc1 ZINC000810408472 627004780 /nfs/dbraw/zinc/00/47/80/627004780.db2.gz IBYZOJCJADBHIT-MAUKXSAKSA-N 0 3 319.424 3.028 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCCSC1 ZINC000810529558 627012256 /nfs/dbraw/zinc/01/22/56/627012256.db2.gz JFDLECQTQFAYNL-MFKMUULPSA-N 0 3 322.817 3.131 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@]12CCOC2 ZINC000885966781 627072054 /nfs/dbraw/zinc/07/20/54/627072054.db2.gz CZNZNYGXRKEAJX-DOTOQJQBSA-N 0 3 302.374 3.009 20 30 DGEDHN COCc1ccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000886138564 627110506 /nfs/dbraw/zinc/11/05/06/627110506.db2.gz NHNJWWQVIROURB-HOCLYGCPSA-N 0 3 318.417 3.008 20 30 DGEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)Cc2ccccc2O1 ZINC000886209508 627121865 /nfs/dbraw/zinc/12/18/65/627121865.db2.gz ODRPHENGLAXTAT-INIZCTEOSA-N 0 3 314.429 3.104 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886333875 627139228 /nfs/dbraw/zinc/13/92/28/627139228.db2.gz OBFBQNXZPXGQRE-HHXXYDBFSA-N 0 3 317.429 3.068 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000886366142 627143786 /nfs/dbraw/zinc/14/37/86/627143786.db2.gz XZYOWXRSSFERPS-MCIONIFRSA-N 0 3 301.352 3.269 20 30 DGEDHN C#CCN(C(=O)CC[C@H]1CCc2ccccc21)C1CCN(C)CC1 ZINC000886572168 627166040 /nfs/dbraw/zinc/16/60/40/627166040.db2.gz ARJDPRAGQHTXOT-GOSISDBHSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN(C(=O)C(CC(C)C)CC(C)C)C1CCN(C)CC1 ZINC000886574505 627166424 /nfs/dbraw/zinc/16/64/24/627166424.db2.gz IWQOZOGVEHBYLL-UHFFFAOYSA-N 0 3 306.494 3.251 20 30 DGEDHN C#CCN(C(=O)c1cccc(C2CCC2)c1)C1CCN(C)CC1 ZINC000886576115 627166512 /nfs/dbraw/zinc/16/65/12/627166512.db2.gz XQUYMSRLPKVGHN-UHFFFAOYSA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CCN(C)CC1 ZINC000886575857 627166673 /nfs/dbraw/zinc/16/66/73/627166673.db2.gz NCYMBPKRVWKHQZ-BHIYHBOVSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C(=O)c1ccc([C@H](C)CC)cc1)C1CCN(C)CC1 ZINC000886579939 627166909 /nfs/dbraw/zinc/16/69/09/627166909.db2.gz OGGNUSMAUVEPKQ-MRXNPFEDSA-N 0 3 312.457 3.370 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)C1CCCCC1)C1CCN(C)CC1 ZINC000886582026 627167488 /nfs/dbraw/zinc/16/74/88/627167488.db2.gz CSGMCAGZRRMUOE-INIZCTEOSA-N 0 3 304.478 3.149 20 30 DGEDHN Cc1nc(C2CCN(CC#Cc3ccc(F)cc3)CC2)[nH]c1C ZINC000886664426 627183528 /nfs/dbraw/zinc/18/35/28/627183528.db2.gz MFRRFFQWNYVDOK-UHFFFAOYSA-N 0 3 311.404 3.397 20 30 DGEDHN C#CCC1(NC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000886799985 627205872 /nfs/dbraw/zinc/20/58/72/627205872.db2.gz AGYUTYIZDWJYDI-UHFFFAOYSA-N 0 3 310.441 3.348 20 30 DGEDHN C#CCC1(NCc2cc(F)ccc2OC(F)F)CCOCC1 ZINC000887121192 627226767 /nfs/dbraw/zinc/22/67/67/627226767.db2.gz ZNDVXRCMISQAOS-UHFFFAOYSA-N 0 3 313.319 3.089 20 30 DGEDHN C#C[C@H](N[C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812795246 627421296 /nfs/dbraw/zinc/42/12/96/627421296.db2.gz PCOFULCZZBWDMY-LIRZEXBASA-N 0 3 317.404 3.458 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@](C)(CCC)c2ccccc2)CC1 ZINC000889484466 627426735 /nfs/dbraw/zinc/42/67/35/627426735.db2.gz RRXAFCXMNDHTLQ-FQEVSTJZSA-N 0 3 312.457 3.163 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC1 ZINC000889511727 627431573 /nfs/dbraw/zinc/43/15/73/627431573.db2.gz BMOUKALKVAJAGW-INIZCTEOSA-N 0 3 314.429 3.089 20 30 DGEDHN CCC(C)(C)N(CCC#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813188611 627465398 /nfs/dbraw/zinc/46/53/98/627465398.db2.gz CNUJZXJRBNJAJH-QGZVFWFLSA-N 0 3 311.445 3.130 20 30 DGEDHN CO[C@](C)(C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813216906 627468537 /nfs/dbraw/zinc/46/85/37/627468537.db2.gz HRQAJXIIHKTQPH-RISCZKNCSA-N 0 3 312.291 3.092 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)c(C)n3)cc2)CC1 ZINC000813586092 627499629 /nfs/dbraw/zinc/49/96/29/627499629.db2.gz OCRRHVALLAQREN-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN COCc1ccccc1/C=C(/C)C=NNCCN1CCCCC1 ZINC000814218070 627551929 /nfs/dbraw/zinc/55/19/29/627551929.db2.gz KPGLUZNHLOZIKL-UVPZNFJVSA-N 0 3 315.461 3.298 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000814253401 627554502 /nfs/dbraw/zinc/55/45/02/627554502.db2.gz DMLAOGLBOCAFAC-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN CCc1ccc(C#CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000814363519 627561121 /nfs/dbraw/zinc/56/11/21/627561121.db2.gz NOKIJZBPQYJEQF-FQEVSTJZSA-N 0 3 320.436 3.020 20 30 DGEDHN O=[N+]([O-])c1ccc(NNC2=C[C@H](C(F)(F)F)OCC2)cc1 ZINC000814681768 627583328 /nfs/dbraw/zinc/58/33/28/627583328.db2.gz BHXIYQVEKFQVOK-LLVKDONJSA-N 0 3 303.240 3.104 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000814803192 627593089 /nfs/dbraw/zinc/59/30/89/627593089.db2.gz MSRNOLBVPRXPAT-OAHLLOKOSA-N 0 3 310.388 3.179 20 30 DGEDHN O=[N+]([O-])c1cc(NNC2=C[C@@H](C(F)(F)F)OCC2)ccc1F ZINC000814905559 627605824 /nfs/dbraw/zinc/60/58/24/627605824.db2.gz YZOLZLNFAPHKMP-NSHDSACASA-N 0 3 321.230 3.243 20 30 DGEDHN N#CCCOCCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000815064525 627621560 /nfs/dbraw/zinc/62/15/60/627621560.db2.gz GHXQSYBJUUIOQV-UHFFFAOYSA-N 0 3 313.376 3.326 20 30 DGEDHN COc1cc2c(cc1CN[C@@H](C)CC(C)(C)C#N)O[C@H](C)C2 ZINC000924630879 627660079 /nfs/dbraw/zinc/66/00/79/627660079.db2.gz JKUJNISEBBGWTG-QWHCGFSZSA-N 0 3 302.418 3.437 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000924774004 627678744 /nfs/dbraw/zinc/67/87/44/627678744.db2.gz QBJZXKYXIPLDQX-GDBMZVCRSA-N 0 3 301.434 3.124 20 30 DGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=CC1CCCCC1 ZINC000815915303 627712696 /nfs/dbraw/zinc/71/26/96/627712696.db2.gz KKODFHFUZAFCKS-JFBXQDQPSA-N 0 3 315.348 3.163 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000816038678 627729204 /nfs/dbraw/zinc/72/92/04/627729204.db2.gz DGIBYYDXHLFHOZ-KXIUCKCTSA-N 0 3 324.424 3.180 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cnccc2N)c1 ZINC000817917944 627961397 /nfs/dbraw/zinc/96/13/97/627961397.db2.gz JKRRTZBRIXXYRN-UKRRQHHQSA-N 0 3 310.401 3.026 20 30 DGEDHN C[C@@H](NC[C@@]1(c2ccccc2)CCCO1)c1cc(C#N)ccn1 ZINC000927122118 628021704 /nfs/dbraw/zinc/02/17/04/628021704.db2.gz ZLWHAGFGDZWUSA-DNVCBOLYSA-N 0 3 307.397 3.310 20 30 DGEDHN N#Cc1ccc([C@H](O)CNCc2ccccc2OCC2CC2)cc1 ZINC000819093526 628091042 /nfs/dbraw/zinc/09/10/42/628091042.db2.gz SFURUEITMJHLAI-LJQANCHMSA-N 0 3 322.408 3.170 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823894626 628608045 /nfs/dbraw/zinc/60/80/45/628608045.db2.gz VEHMGFZRILKCQG-RYUDHWBXSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823894626 628608047 /nfs/dbraw/zinc/60/80/47/628608047.db2.gz VEHMGFZRILKCQG-RYUDHWBXSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823894940 628608181 /nfs/dbraw/zinc/60/81/81/628608181.db2.gz ZWVMNIZUVPRNBR-AWEZNQCLSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823894940 628608183 /nfs/dbraw/zinc/60/81/83/628608183.db2.gz ZWVMNIZUVPRNBR-AWEZNQCLSA-N 0 3 303.385 3.230 20 30 DGEDHN C#C[C@@H](C)N(C)Cc1ccnc2c(Br)cccc12 ZINC000824297130 628648513 /nfs/dbraw/zinc/64/85/13/628648513.db2.gz PZOFOKJQFDEPNQ-LLVKDONJSA-N 0 3 303.203 3.451 20 30 DGEDHN COC(=O)C1(C#N)CCN(CC2CCC(C(C)C)CC2)CC1 ZINC000824872825 628702015 /nfs/dbraw/zinc/70/20/15/628702015.db2.gz WWHYMBWLQUQTTP-UHFFFAOYSA-N 0 3 306.450 3.228 20 30 DGEDHN Cc1cc(C)c(CNCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000825221309 628738757 /nfs/dbraw/zinc/73/87/57/628738757.db2.gz IFJZOABGQHOFDQ-UHFFFAOYSA-N 0 3 308.429 3.338 20 30 DGEDHN N#Cc1ccsc1C(=O)NC[C@H]1CCN1C1CCCCCC1 ZINC000826673201 628871224 /nfs/dbraw/zinc/87/12/24/628871224.db2.gz HOMYPEPDSOYQIA-OAHLLOKOSA-N 0 3 317.458 3.147 20 30 DGEDHN C#C[C@@H](NCc1cnc(C2CCCC2)s1)C1CCOCC1 ZINC000827564636 628971297 /nfs/dbraw/zinc/97/12/97/628971297.db2.gz FAZRUTXRZOMOSM-MRXNPFEDSA-N 0 3 304.459 3.319 20 30 DGEDHN C#C[C@@H](NCc1cc(C)c(C)cc1OC(F)F)C1CCOCC1 ZINC000827564600 628971361 /nfs/dbraw/zinc/97/13/61/628971361.db2.gz DREQDXHDUTVFKG-MRXNPFEDSA-N 0 3 323.383 3.423 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000827823788 628994655 /nfs/dbraw/zinc/99/46/55/628994655.db2.gz UAXZBNLWUGPWLL-UHFFFAOYSA-N 0 3 303.299 3.316 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000829815716 629197638 /nfs/dbraw/zinc/19/76/38/629197638.db2.gz RWPTWHYSPXKKPU-CYBMUJFWSA-N 0 3 305.805 3.362 20 30 DGEDHN C#CC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000830311608 629251401 /nfs/dbraw/zinc/25/14/01/629251401.db2.gz RABCRXWMUQSOQI-LJQANCHMSA-N 0 3 310.441 3.085 20 30 DGEDHN C#Cc1cccc(CN[C@@H]2CCN(C(C)=O)Cc3ccccc32)c1 ZINC000834904227 629804074 /nfs/dbraw/zinc/80/40/74/629804074.db2.gz WKOBJMBCFUEYME-OAQYLSRUSA-N 0 3 318.420 3.251 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835342216 629910578 /nfs/dbraw/zinc/91/05/78/629910578.db2.gz ZRIKNFIKNKAYCD-IXDOHACOSA-N 0 3 312.413 3.180 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000837357958 630247097 /nfs/dbraw/zinc/24/70/97/630247097.db2.gz KWWDTWDSXIGYKT-LPHOPBHVSA-N 0 3 310.441 3.084 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)C#CC(C)(C)C)N2CCCC2)cc1 ZINC000837379199 630250747 /nfs/dbraw/zinc/25/07/47/630250747.db2.gz VNOQUWJDARQOTE-SFHVURJKSA-N 0 3 312.457 3.298 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)C)cc1 ZINC000840890546 630372946 /nfs/dbraw/zinc/37/29/46/630372946.db2.gz NZVHKJQMRPBMOT-UONOGXRCSA-N 0 3 324.852 3.382 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)C)cc1 ZINC000840890545 630373052 /nfs/dbraw/zinc/37/30/52/630373052.db2.gz NZVHKJQMRPBMOT-KGLIPLIRSA-N 0 3 324.852 3.382 20 30 DGEDHN C#CCOc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000840957781 630385196 /nfs/dbraw/zinc/38/51/96/630385196.db2.gz MUOFAGDZGJECMV-ICSRJNTNSA-N 0 3 307.393 3.007 20 30 DGEDHN c1ccc([C@H]2CC(=NOC[C@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841636478 630450431 /nfs/dbraw/zinc/45/04/31/630450431.db2.gz BUHWKCWGNGAGET-HNAYVOBHSA-N 0 3 314.429 3.395 20 30 DGEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842285611 630511266 /nfs/dbraw/zinc/51/12/66/630511266.db2.gz RHKCEWIIHXLQGU-ZFWWWQNUSA-N 0 3 303.406 3.255 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000843424413 630657230 /nfs/dbraw/zinc/65/72/30/630657230.db2.gz 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ZDXUCEFUZDAEHJ-AWEZNQCLSA-N 0 3 306.475 3.135 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001033391271 660618585 /nfs/dbraw/zinc/61/85/85/660618585.db2.gz QKAPLUXQPNVMCE-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001033451281 660623538 /nfs/dbraw/zinc/62/35/38/660623538.db2.gz WNLYZPYDVZMYJY-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)c3ccccc23)C1 ZINC001033457227 660624599 /nfs/dbraw/zinc/62/45/99/660624599.db2.gz GGYQSTIVPZXDNP-KRWDZBQOSA-N 0 3 320.436 3.318 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001033459347 660625035 /nfs/dbraw/zinc/62/50/35/660625035.db2.gz CQJLAIOAEOFRFC-SFHVURJKSA-N 0 3 314.473 3.245 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001033460073 660625093 /nfs/dbraw/zinc/62/50/93/660625093.db2.gz RYOCAOOUNSNPTO-HNNXBMFYSA-N 0 3 316.445 3.055 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OCC)c(C)c2)C1 ZINC001033470903 660625856 /nfs/dbraw/zinc/62/58/56/660625856.db2.gz CLAUNGYVMVTSJQ-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001033474455 660627787 /nfs/dbraw/zinc/62/77/87/660627787.db2.gz HTFBECBVCXENOB-BXWFABGCSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001033491369 660628729 /nfs/dbraw/zinc/62/87/29/660628729.db2.gz GJNGAWGVKWPUSE-BZUAXINKSA-N 0 3 318.486 3.269 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001033511066 660629094 /nfs/dbraw/zinc/62/90/94/660629094.db2.gz AYVKWQLISXGMKK-GJZGRUSLSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001033637802 660643654 /nfs/dbraw/zinc/64/36/54/660643654.db2.gz RVNILTLRBPGKQE-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033646941 660644002 /nfs/dbraw/zinc/64/40/02/660644002.db2.gz BSXVAUJEJMYIJU-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2csc3c2CCCC3)C1 ZINC001033645237 660645752 /nfs/dbraw/zinc/64/57/52/660645752.db2.gz UGTALWNUEDZMHG-AWEZNQCLSA-N 0 3 318.486 3.349 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)c3occc32)C1 ZINC001033676149 660648535 /nfs/dbraw/zinc/64/85/35/660648535.db2.gz SIQGKVOHXQIGKC-ZDUSSCGKSA-N 0 3 316.376 3.294 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001033691647 660651825 /nfs/dbraw/zinc/65/18/25/660651825.db2.gz AGRVAIWJXGMBBX-QUCCMNQESA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3c(cccc3C)o2)C1 ZINC001033698824 660653243 /nfs/dbraw/zinc/65/32/43/660653243.db2.gz ZCAGGPOYQQEWRB-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033711170 660654430 /nfs/dbraw/zinc/65/44/30/660654430.db2.gz MQJGIAHKZKNHRE-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC001005380098 660667233 /nfs/dbraw/zinc/66/72/33/660667233.db2.gz 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660673935 /nfs/dbraw/zinc/67/39/35/660673935.db2.gz QGLBVDQVZKHHOE-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)sc2C)C1 ZINC001033889473 660674420 /nfs/dbraw/zinc/67/44/20/660674420.db2.gz ZSSVXUUZWVYPTH-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033943542 660684951 /nfs/dbraw/zinc/68/49/51/660684951.db2.gz RUAVSDHNJJLXBR-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033943543 660685168 /nfs/dbraw/zinc/68/51/68/660685168.db2.gz RUAVSDHNJJLXBR-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033973700 660687317 /nfs/dbraw/zinc/68/73/17/660687317.db2.gz VOEVMUSRNFNRKF-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033963635 660688804 /nfs/dbraw/zinc/68/88/04/660688804.db2.gz OBSVNFTZDKZSLI-MRXNPFEDSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033979640 660690271 /nfs/dbraw/zinc/69/02/71/660690271.db2.gz KHMPYEHUAJVSBO-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050479 660702629 /nfs/dbraw/zinc/70/26/29/660702629.db2.gz ALLQNSMEHBLOHY-QGZVFWFLSA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034027212 660696147 /nfs/dbraw/zinc/69/61/47/660696147.db2.gz WZGDYRARBDAKCM-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034031872 660697023 /nfs/dbraw/zinc/69/70/23/660697023.db2.gz HXJGBTYPEJPMQN-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034036343 660697546 /nfs/dbraw/zinc/69/75/46/660697546.db2.gz NXUNCVYMTFEUSD-KRWDZBQOSA-N 0 3 313.445 3.072 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(CC)c(C)s2)C1 ZINC001034037406 660697941 /nfs/dbraw/zinc/69/79/41/660697941.db2.gz YNHMPBXSYCPEDI-INIZCTEOSA-N 0 3 318.486 3.179 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@H](NC(=O)C=C3CCC3)C2)cc1 ZINC001034156688 660717733 /nfs/dbraw/zinc/71/77/33/660717733.db2.gz BRBJCDCDVLBLKK-IBGZPJMESA-N 0 3 323.440 3.139 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001034268982 660730957 /nfs/dbraw/zinc/73/09/57/660730957.db2.gz PUZWLZMOLXPEJO-HKUYNNGSSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034227012 660725294 /nfs/dbraw/zinc/72/52/94/660725294.db2.gz WGVYXLLIVZWGHI-QGZVFWFLSA-N 0 3 310.397 3.040 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001034237134 660728049 /nfs/dbraw/zinc/72/80/49/660728049.db2.gz QWXCIYVLISXJAD-OAHLLOKOSA-N 0 3 318.486 3.308 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001034298084 660733891 /nfs/dbraw/zinc/73/38/91/660733891.db2.gz ANJHSUVKKFYJNJ-QGZVFWFLSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034317711 660736331 /nfs/dbraw/zinc/73/63/31/660736331.db2.gz ARERBNZBVZDZKJ-MHORFTMASA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001034329980 660737598 /nfs/dbraw/zinc/73/75/98/660737598.db2.gz LZSREMYNBOXKGG-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001034335010 660738860 /nfs/dbraw/zinc/73/88/60/660738860.db2.gz TVHOROYSXDGJOJ-MRXNPFEDSA-N 0 3 315.461 3.284 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001034371299 660742395 /nfs/dbraw/zinc/74/23/95/660742395.db2.gz HXKMJXAFIIJVTP-ZDUSSCGKSA-N 0 3 312.360 3.378 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001034444998 660752350 /nfs/dbraw/zinc/75/23/50/660752350.db2.gz OQCACJIAYWFBKR-HOCLYGCPSA-N 0 3 304.434 3.157 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001034377865 660745203 /nfs/dbraw/zinc/74/52/03/660745203.db2.gz MSIQFWOAHHQRTC-HNNXBMFYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001034428988 660749614 /nfs/dbraw/zinc/74/96/14/660749614.db2.gz SKRSCNGTMNIQAI-QRVBRYPASA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001034410349 660749721 /nfs/dbraw/zinc/74/97/21/660749721.db2.gz BDXICNHJIAVJGT-MRXNPFEDSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001034413147 660750106 /nfs/dbraw/zinc/75/01/06/660750106.db2.gz HOPZTSCEIJLGPJ-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001034413148 660750188 /nfs/dbraw/zinc/75/01/88/660750188.db2.gz HOPZTSCEIJLGPJ-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001034413700 660750513 /nfs/dbraw/zinc/75/05/13/660750513.db2.gz LBHCIPVTJYEKBW-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001034417542 660751324 /nfs/dbraw/zinc/75/13/24/660751324.db2.gz OYPKOQUBFQMDNO-OAHLLOKOSA-N 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FXSYNFHSXLEPIC-FOIPXRHGSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001034540536 660770457 /nfs/dbraw/zinc/77/04/57/660770457.db2.gz IIJBWYSABGDKTA-ROUUACIJSA-N 0 3 317.477 3.213 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001034546052 660771977 /nfs/dbraw/zinc/77/19/77/660771977.db2.gz FEPAITBBTREZOB-OAHLLOKOSA-N 0 3 318.486 3.479 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001034545530 660772234 /nfs/dbraw/zinc/77/22/34/660772234.db2.gz VBDVMHWMDKTNND-OAHLLOKOSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001034547668 660772963 /nfs/dbraw/zinc/77/29/63/660772963.db2.gz SAKFECBYSLRSDA-YLJYHZDGSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC001005590452 660781871 /nfs/dbraw/zinc/78/18/71/660781871.db2.gz YZMAFYRQJVFCBJ-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)c3cccnc23)CC1 ZINC001005732023 660795356 /nfs/dbraw/zinc/79/53/56/660795356.db2.gz PYLOOBJMHSEYQL-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001035013808 660808785 /nfs/dbraw/zinc/80/87/85/660808785.db2.gz HKOBVBARGZDRID-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cc(C)ccc1F ZINC001035015125 660809126 /nfs/dbraw/zinc/80/91/26/660809126.db2.gz VTEZFLVDGCRHMV-MRXNPFEDSA-N 0 3 318.436 3.427 20 30 DGEDHN CC(C)C(=O)N1CCC2(CCN(CC#Cc3ccccc3)C2)CC1 ZINC001035158612 660820137 /nfs/dbraw/zinc/82/01/37/660820137.db2.gz QGHPXGOMGYKRHU-UHFFFAOYSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)c1coc2cc(C)c(C)cc12 ZINC001038559351 660823811 /nfs/dbraw/zinc/82/38/11/660823811.db2.gz WZYJZUZHAVADKR-HNNXBMFYSA-N 0 3 312.413 3.430 20 30 DGEDHN C=C1CCC(C(=O)N2CCC3(CCN(CCF)C3)CC2)CC1 ZINC001035222824 660827897 /nfs/dbraw/zinc/82/78/97/660827897.db2.gz ITAGNFBWIUXIKR-UHFFFAOYSA-N 0 3 308.441 3.017 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)CC2 ZINC001035710257 660846020 /nfs/dbraw/zinc/84/60/20/660846020.db2.gz DPWHDLCJAIIFHH-FGTMMUONSA-N 0 3 314.473 3.089 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](F)C1)CC2 ZINC001035708327 660846338 /nfs/dbraw/zinc/84/63/38/660846338.db2.gz VKSXXRCSPJWDSJ-HOTGVXAUSA-N 0 3 308.441 3.015 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CCC[C@@H]1C)CC2 ZINC001035713874 660846496 /nfs/dbraw/zinc/84/64/96/660846496.db2.gz YKNUYWRZBFDERZ-DLBZAZTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1[nH]ccc1C1CC1)CC2 ZINC001035719263 660847222 /nfs/dbraw/zinc/84/72/22/660847222.db2.gz ZYEXAKANRDHSFR-UHFFFAOYSA-N 0 3 313.445 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3C[C@@H]3CC1)CC2 ZINC001035755412 660848721 /nfs/dbraw/zinc/84/87/21/660848721.db2.gz LRPFCLCLMVHGIR-NNZMDNLPSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@H]1C)CC2 ZINC001035781026 660851310 /nfs/dbraw/zinc/85/13/10/660851310.db2.gz LXZRRKXNHMJBKA-SJORKVTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)CC2 ZINC001035829940 660856625 /nfs/dbraw/zinc/85/66/25/660856625.db2.gz KAFXTTLHRMKZST-FUHWJXTLSA-N 0 3 304.478 3.169 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC001035841974 660858121 /nfs/dbraw/zinc/85/81/21/660858121.db2.gz WTKVXPCTJFFKSV-RBUKOAKNSA-N 0 3 324.468 3.291 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC3CCC1CC3)CC2 ZINC001035858186 660860284 /nfs/dbraw/zinc/86/02/84/660860284.db2.gz PQNOGMZKIPKTOE-DAWZGUTISA-N 0 3 316.489 3.313 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1CCC(C)(C)CC1)CC2 ZINC001035860900 660861120 /nfs/dbraw/zinc/86/11/20/660861120.db2.gz WDHAMYVNWPMUIQ-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)NCc2nccs2)C1 ZINC001036439997 660905999 /nfs/dbraw/zinc/90/59/99/660905999.db2.gz MVTQTKKFYSMBEL-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2coc(C(F)F)c2)CC1 ZINC001005891468 660947173 /nfs/dbraw/zinc/94/71/73/660947173.db2.gz NYDFHWVSECLLDY-UHFFFAOYSA-N 0 3 312.360 3.330 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccoc2C2CC2)CC1 ZINC001005891080 660947244 /nfs/dbraw/zinc/94/72/44/660947244.db2.gz LUZJEPYYNCCDCS-UHFFFAOYSA-N 0 3 302.418 3.270 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)C(C2CCC2)C2CCC2)CC1 ZINC000948722533 660948998 /nfs/dbraw/zinc/94/89/98/660948998.db2.gz RNOBBFSQHXSNJG-SFHVURJKSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCOc1ccccc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000187174567 660964372 /nfs/dbraw/zinc/96/43/72/660964372.db2.gz OKDMNOGUYNSGLS-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)C[C@H]1C ZINC000947981566 660966945 /nfs/dbraw/zinc/96/69/45/660966945.db2.gz YBWMSVHOZAAHFH-VXGBXAGGSA-N 0 3 312.866 3.479 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)C[C@@H]1C ZINC000947981564 660967023 /nfs/dbraw/zinc/96/70/23/660967023.db2.gz YBWMSVHOZAAHFH-NWDGAFQWSA-N 0 3 312.866 3.479 20 30 DGEDHN C#C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000794057072 661066458 /nfs/dbraw/zinc/06/64/58/661066458.db2.gz DBJMKMARIPWPCJ-XEZPLFJOSA-N 0 3 304.821 3.003 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000794822167 661107453 /nfs/dbraw/zinc/10/74/53/661107453.db2.gz AOONKMPIAVWWQZ-NEPJUHHUSA-N 0 3 321.396 3.261 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)c1ccc(F)cc1 ZINC000794896835 661112388 /nfs/dbraw/zinc/11/23/88/661112388.db2.gz UTTPTQATDDVHPU-MSOLQXFVSA-N 0 3 316.420 3.127 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)c1ccc(F)cc1 ZINC000794896836 661112573 /nfs/dbraw/zinc/11/25/73/661112573.db2.gz UTTPTQATDDVHPU-QZTJIDSGSA-N 0 3 316.420 3.127 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000969111506 655523265 /nfs/dbraw/zinc/52/32/65/655523265.db2.gz PSTDROBOPYPHJG-MRXNPFEDSA-N 0 3 316.445 3.148 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3nc2C)C[C@@H]1C ZINC000947365618 655525037 /nfs/dbraw/zinc/52/50/37/655525037.db2.gz PWEIWPKOXMYJQG-WMLDXEAASA-N 0 3 323.440 3.312 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969125044 655526100 /nfs/dbraw/zinc/52/61/00/655526100.db2.gz YSGSFEOTTJXTFI-KZNAEPCWSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC000969136809 655527816 /nfs/dbraw/zinc/52/78/16/655527816.db2.gz QENFVIMZJQDUBZ-KRWDZBQOSA-N 0 3 313.445 3.119 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001020430415 655534346 /nfs/dbraw/zinc/53/43/46/655534346.db2.gz MRMRQKRXRWFINE-SHTZXODSSA-N 0 3 318.848 3.475 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001020525295 655546109 /nfs/dbraw/zinc/54/61/09/655546109.db2.gz GCFIBFIMWDJNOX-WKILWMFISA-N 0 3 306.837 3.242 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000969570214 655551078 /nfs/dbraw/zinc/55/10/78/655551078.db2.gz KFSLWHBIBLWEIH-MRXNPFEDSA-N 0 3 318.436 3.427 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(CC(C)C)s2)C1 ZINC000969853521 655560795 /nfs/dbraw/zinc/56/07/95/655560795.db2.gz VSNDYOHQRJKKFB-AWEZNQCLSA-N 0 3 318.486 3.020 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001020626633 655562264 /nfs/dbraw/zinc/56/22/64/655562264.db2.gz ZJXZTNLSMIMCTF-XYPYZODXSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001020969923 655583845 /nfs/dbraw/zinc/58/38/45/655583845.db2.gz WFOZDOIVIFPHPS-WKILWMFISA-N 0 3 306.837 3.413 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3cscc3s2)C1 ZINC000970176018 655586862 /nfs/dbraw/zinc/58/68/62/655586862.db2.gz ZAJFQWYYYKUBTQ-LLVKDONJSA-N 0 3 318.467 3.036 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnc3ccccc3c2C)C1 ZINC000970176861 655586889 /nfs/dbraw/zinc/58/68/89/655586889.db2.gz NWKSSGBIWBRNJE-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001021027810 655587381 /nfs/dbraw/zinc/58/73/81/655587381.db2.gz YFOPXJYEBNYNEY-JOCQHMNTSA-N 0 3 312.866 3.222 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001021105281 655589982 /nfs/dbraw/zinc/58/99/82/655589982.db2.gz XJDQHAGFWISUMI-HDJSIYSDSA-N 0 3 318.848 3.087 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2sccc2C)C1 ZINC001039178144 655600920 /nfs/dbraw/zinc/60/09/20/655600920.db2.gz LZMFGDZZTKJOGU-JKSUJKDBSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(CC)CC)C1 ZINC001039193488 655609984 /nfs/dbraw/zinc/60/99/84/655609984.db2.gz OCYWHGCKLMSSHU-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC001039205786 655613934 /nfs/dbraw/zinc/61/39/34/655613934.db2.gz ACGQCRQQPRBSQZ-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2=CCCCC2)C1 ZINC001021544153 655627018 /nfs/dbraw/zinc/62/70/18/655627018.db2.gz HUNUIAMKXOMMEU-MOPGFXCFSA-N 0 3 314.473 3.213 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000970839086 655628488 /nfs/dbraw/zinc/62/84/88/655628488.db2.gz OGOGSEMBTAJJJG-HNNXBMFYSA-N 0 3 312.457 3.192 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)C[C@@H]1C ZINC000947411126 655631897 /nfs/dbraw/zinc/63/18/97/655631897.db2.gz DLNWILRCANEXKC-RYUDHWBXSA-N 0 3 312.360 3.294 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2CCC(=C)CC2)C1 ZINC001039232168 655635179 /nfs/dbraw/zinc/63/51/79/655635179.db2.gz VDHZHAGERFNENO-RBUKOAKNSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccsc2C)C1 ZINC001021579955 655636460 /nfs/dbraw/zinc/63/64/60/655636460.db2.gz YLMMHKQDYMGANR-DOTOQJQBSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2(C)CCCCC2)C1 ZINC001021629719 655645363 /nfs/dbraw/zinc/64/53/63/655645363.db2.gz INWULTCBPUMDBN-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947424274 655649461 /nfs/dbraw/zinc/64/94/61/655649461.db2.gz AQMKWXVFPDPMQH-VXGBXAGGSA-N 0 3 310.850 3.008 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(CCC)cc2)C1 ZINC001021660441 655650765 /nfs/dbraw/zinc/65/07/65/655650765.db2.gz ZVKXEBSTLRWVNK-VQTJNVASSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCC1(NCc2nc3cc(Br)ccc3[nH]2)CCC1 ZINC000933296123 655697887 /nfs/dbraw/zinc/69/78/87/655697887.db2.gz CBGWPLANLXTFHK-UHFFFAOYSA-N 0 3 318.218 3.361 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)N2CCSc3ccccc32)CCC1 ZINC000933302689 655698572 /nfs/dbraw/zinc/69/85/72/655698572.db2.gz ZXXKJWMLYAVPGE-AWEZNQCLSA-N 0 3 314.454 3.049 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001022400296 655735678 /nfs/dbraw/zinc/73/56/78/655735678.db2.gz YXJZCSSNLZGEBH-XGUBFFRZSA-N 0 3 310.869 3.214 20 30 DGEDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000934040290 655742971 /nfs/dbraw/zinc/74/29/71/655742971.db2.gz JKTKIZOJEOGOJN-WOJBJXKFSA-N 0 3 322.408 3.119 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cc3ccccc3s2)C1 ZINC000971928366 655748877 /nfs/dbraw/zinc/74/88/77/655748877.db2.gz MEVIZIYMFAEJPK-OAHLLOKOSA-N 0 3 314.454 3.163 20 30 DGEDHN CC(=O)[C@](C#N)(CCN1CCCSC[C@@H]1C)c1ccccc1 ZINC000934297046 655765090 /nfs/dbraw/zinc/76/50/90/655765090.db2.gz XXJZHQACZVVHHT-MAUKXSAKSA-N 0 3 316.470 3.254 20 30 DGEDHN C=CC[C@H]1CCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000934470671 655777933 /nfs/dbraw/zinc/77/79/33/655777933.db2.gz POSXBUOSFFDTMG-KRWDZBQOSA-N 0 3 310.397 3.360 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)Cc3csc(C)c3)C2)C1 ZINC000972283318 655785513 /nfs/dbraw/zinc/78/55/13/655785513.db2.gz MICJZNPYKGTWAY-INIZCTEOSA-N 0 3 318.486 3.446 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c3ccccc23)C1 ZINC000972434667 655798150 /nfs/dbraw/zinc/79/81/50/655798150.db2.gz YYDAESNLAVTEQU-MRXNPFEDSA-N 0 3 308.425 3.481 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1 ZINC000972440590 655799164 /nfs/dbraw/zinc/79/91/64/655799164.db2.gz KPWFQNWYDRKYLG-MRXNPFEDSA-N 0 3 320.864 3.336 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC000972453448 655800637 /nfs/dbraw/zinc/80/06/37/655800637.db2.gz LTYBONSUNMEDHZ-ZBFHGGJFSA-N 0 3 320.864 3.237 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001022931613 655803311 /nfs/dbraw/zinc/80/33/11/655803311.db2.gz BXPTYPXGPHKACF-IYBDPMFKSA-N 0 3 306.837 3.413 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC000972489972 655806827 /nfs/dbraw/zinc/80/68/27/655806827.db2.gz UNTFFGBYLLGUBJ-RTBURBONSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2OC(C)C)C1 ZINC001023003689 655807614 /nfs/dbraw/zinc/80/76/14/655807614.db2.gz HETFGINOBPUYRU-OKILXGFUSA-N 0 3 322.836 3.077 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001023426698 655833071 /nfs/dbraw/zinc/83/30/71/655833071.db2.gz WDKJHHOXUNEYLZ-LBPRGKRZSA-N 0 3 312.360 3.153 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001023483413 655837038 /nfs/dbraw/zinc/83/70/38/655837038.db2.gz RWNMAQGLQZWFPR-KRWDZBQOSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3cscc3s2)C1 ZINC001023496798 655837536 /nfs/dbraw/zinc/83/75/36/655837536.db2.gz QIAOUOWZEQOZPB-LBPRGKRZSA-N 0 3 318.467 3.038 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@H]1C ZINC000947567218 655841829 /nfs/dbraw/zinc/84/18/29/655841829.db2.gz BORUEKJQWMNRTL-SJLPKXTDSA-N 0 3 324.468 3.478 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001023569835 655844199 /nfs/dbraw/zinc/84/41/99/655844199.db2.gz UHSRGVHCFFRCAK-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)cccc2Cl)C1 ZINC001023575563 655844496 /nfs/dbraw/zinc/84/44/96/655844496.db2.gz WDBCEZWEVXNXRT-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC000972601603 655846732 /nfs/dbraw/zinc/84/67/32/655846732.db2.gz JMDQSXMCFJDZSS-XLIONFOSSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000972647701 655858276 /nfs/dbraw/zinc/85/82/76/655858276.db2.gz CMFZYOWKDDQDLC-ZDUSSCGKSA-N 0 3 316.426 3.340 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)c3occc32)C1 ZINC000972714396 655872867 /nfs/dbraw/zinc/87/28/67/655872867.db2.gz UAQJYPJADIZCRX-LBPRGKRZSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000972789509 655882361 /nfs/dbraw/zinc/88/23/61/655882361.db2.gz NZQXTFHXBSOQID-LBPRGKRZSA-N 0 3 313.228 3.326 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001036791900 661201879 /nfs/dbraw/zinc/20/18/79/661201879.db2.gz GSOOFPBITGTYRO-OVUXIIJLSA-N 0 3 310.869 3.264 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001024531133 655913572 /nfs/dbraw/zinc/91/35/72/655913572.db2.gz MRXZWVOQLJRACB-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001024530661 655913645 /nfs/dbraw/zinc/91/36/45/655913645.db2.gz IINJZOYVUWNAOD-INIZCTEOSA-N 0 3 315.461 3.365 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001024534721 655914073 /nfs/dbraw/zinc/91/40/73/655914073.db2.gz FGOORLOQFJXPKU-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535599 655914465 /nfs/dbraw/zinc/91/44/65/655914465.db2.gz UOSASWDZVMTIDW-KRWDZBQOSA-N 0 3 313.445 3.119 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001024560370 655916892 /nfs/dbraw/zinc/91/68/92/655916892.db2.gz FADXDQWJTKACIB-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001024630121 655926037 /nfs/dbraw/zinc/92/60/37/655926037.db2.gz KXQSCKOQIKWHAC-QGZVFWFLSA-N 0 3 323.440 3.248 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001024632822 655926328 /nfs/dbraw/zinc/92/63/28/655926328.db2.gz CCPGBQGPUAPCFC-INIZCTEOSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001024709854 655932596 /nfs/dbraw/zinc/93/25/96/655932596.db2.gz MVKDECKTYCELFZ-MRXNPFEDSA-N 0 3 320.383 3.232 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001024746531 655934955 /nfs/dbraw/zinc/93/49/55/655934955.db2.gz BYTGSGHUKFKKEZ-IBGZPJMESA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001024777081 655938223 /nfs/dbraw/zinc/93/82/23/655938223.db2.gz FTRMKIPIOHPCOU-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001024777082 655938242 /nfs/dbraw/zinc/93/82/42/655938242.db2.gz FTRMKIPIOHPCOU-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001024789306 655939463 /nfs/dbraw/zinc/93/94/63/655939463.db2.gz VHDQVQMSKKYNGG-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001024821918 655941784 /nfs/dbraw/zinc/94/17/84/655941784.db2.gz VOPDKMKWURBYPM-DZIBYMRMSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001024817486 655942664 /nfs/dbraw/zinc/94/26/64/655942664.db2.gz BSRIIMDZWTXOEZ-ZGUYJTEBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001024823856 655943004 /nfs/dbraw/zinc/94/30/04/655943004.db2.gz FBKJKGMFMDJTFU-CYBMUJFWSA-N 0 3 310.438 3.438 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C\Cl)C2)CC1 ZINC001036810589 661206592 /nfs/dbraw/zinc/20/65/92/661206592.db2.gz FIVZLDZIVONIDW-QCQKSVBKSA-N 0 3 322.880 3.408 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1scnc1C ZINC001025040527 655958058 /nfs/dbraw/zinc/95/80/58/655958058.db2.gz FSNGVWCPAQLPQS-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cncc(C)c1 ZINC001025040898 655958636 /nfs/dbraw/zinc/95/86/36/655958636.db2.gz OQMMFCPZTRRJCH-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001025194436 655976247 /nfs/dbraw/zinc/97/62/47/655976247.db2.gz CZBKUVBBDPNSOO-CABCVRRESA-N 0 3 304.459 3.393 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199299 655976424 /nfs/dbraw/zinc/97/64/24/655976424.db2.gz VJWOCCAUZBIJER-DLBZAZTESA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196751 655976780 /nfs/dbraw/zinc/97/67/80/655976780.db2.gz ZUMGDEGWEVEOMH-RTBURBONSA-N 0 3 310.441 3.087 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025214274 655979387 /nfs/dbraw/zinc/97/93/87/655979387.db2.gz XNKIOIITTGKUPO-JKSUJKDBSA-N 0 3 320.477 3.023 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cscc1C ZINC001025219031 655979879 /nfs/dbraw/zinc/97/98/79/655979879.db2.gz RUNJGKLDYVKJNP-IRXDYDNUSA-N 0 3 316.470 3.149 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ncccc1C ZINC001025219836 655980046 /nfs/dbraw/zinc/98/00/46/655980046.db2.gz AFWQNXZTCXNACK-DLBZAZTESA-N 0 3 313.445 3.035 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001025223658 655981535 /nfs/dbraw/zinc/98/15/35/655981535.db2.gz DQNMQFSMXHJSAK-OALUTQOASA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccsc1C ZINC001025228243 655982067 /nfs/dbraw/zinc/98/20/67/655982067.db2.gz WUDKDWQKIBIGQV-SJORKVTESA-N 0 3 316.470 3.149 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(CC)o1 ZINC001025244037 655983809 /nfs/dbraw/zinc/98/38/09/655983809.db2.gz GKMFTAKELGVSPG-DLBZAZTESA-N 0 3 316.445 3.487 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258864 655984982 /nfs/dbraw/zinc/98/49/82/655984982.db2.gz KEORNHVAXKDKDN-IAGOWNOFSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C1CCC1 ZINC001025254430 655985331 /nfs/dbraw/zinc/98/53/31/655985331.db2.gz JEPUQJPFJOXMPK-MSOLQXFVSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cocc1C ZINC001025256588 655985729 /nfs/dbraw/zinc/98/57/29/655985729.db2.gz YUBCOWDYYDJICE-DLBZAZTESA-N 0 3 302.418 3.233 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C1CC1 ZINC001025264249 655986290 /nfs/dbraw/zinc/98/62/90/655986290.db2.gz YOYQOPCSNJMRDV-ZWKOTPCHSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#CC ZINC001025260597 655986587 /nfs/dbraw/zinc/98/65/87/655986587.db2.gz YNJQDKXUALBKRE-IRXDYDNUSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)CC1 ZINC001025292665 655989352 /nfs/dbraw/zinc/98/93/52/655989352.db2.gz LEHFJJBYVYOTLJ-VJANTYMQSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)ccc1C ZINC001025294012 655989704 /nfs/dbraw/zinc/98/97/04/655989704.db2.gz VZUITZVLRRQQEX-VQTJNVASSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)c1C ZINC001025298302 655990596 /nfs/dbraw/zinc/99/05/96/655990596.db2.gz WBRRDTYEHKWTPL-UXHICEINSA-N 0 3 324.468 3.396 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388769 656004327 /nfs/dbraw/zinc/00/43/27/656004327.db2.gz MAYFQTMCCKLVQH-WMZOPIPTSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC001025425416 656009893 /nfs/dbraw/zinc/00/98/93/656009893.db2.gz POZWODRCHFVOMR-AEFFLSMTSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC001025423738 656010055 /nfs/dbraw/zinc/01/00/55/656010055.db2.gz DHPONUPBEVDDDR-LSDHHAIUSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC001025432216 656011212 /nfs/dbraw/zinc/01/12/12/656011212.db2.gz SHTJEZVNIKDYSD-LSDHHAIUSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC001025473463 656018698 /nfs/dbraw/zinc/01/86/98/656018698.db2.gz DLWIQJTXKZYXKV-JKSUJKDBSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)cc2Cl)C1 ZINC001025540228 656032395 /nfs/dbraw/zinc/03/23/95/656032395.db2.gz UAGOTETZHYOKOV-HUUCEWRRSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC001025549763 656034804 /nfs/dbraw/zinc/03/48/04/656034804.db2.gz VCVGZYXLTMFKTO-STQMWFEESA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC001025586903 656040536 /nfs/dbraw/zinc/04/05/36/656040536.db2.gz GZLRYJNMNLQTBJ-QFBILLFUSA-N 0 3 312.457 3.274 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC001025603079 656044135 /nfs/dbraw/zinc/04/41/35/656044135.db2.gz QGZKDCGDDNILOV-GDBMZVCRSA-N 0 3 318.848 3.194 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC001025609814 656046174 /nfs/dbraw/zinc/04/61/74/656046174.db2.gz HYGGQFBDCSACKZ-NVXWUHKLSA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025611008 656046961 /nfs/dbraw/zinc/04/69/61/656046961.db2.gz ZRMKNZLSHOSYBI-ZWKOTPCHSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001025628144 656050615 /nfs/dbraw/zinc/05/06/15/656050615.db2.gz NOHADIANOFICKQ-UZLBHIALSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001025630606 656051923 /nfs/dbraw/zinc/05/19/23/656051923.db2.gz UOTQTKDHDIRXHV-DOTOQJQBSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001025631681 656052532 /nfs/dbraw/zinc/05/25/32/656052532.db2.gz CYUYVWIHKCNPDA-ZNVHBHFFSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000947670162 656080718 /nfs/dbraw/zinc/08/07/18/656080718.db2.gz BURBINKEESCBAT-JSGCOSHPSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)C[C@H]1C ZINC000947684080 656136860 /nfs/dbraw/zinc/13/68/60/656136860.db2.gz FVWIFDSZFXXOJY-ZBFHGGJFSA-N 0 3 318.848 3.254 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)C[C@@H]1C ZINC000947684078 656136967 /nfs/dbraw/zinc/13/69/67/656136967.db2.gz FVWIFDSZFXXOJY-HOCLYGCPSA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C[C@H]1C ZINC000947685653 656146194 /nfs/dbraw/zinc/14/61/94/656146194.db2.gz OBWARXOKEWTIFV-HIFRSBDPSA-N 0 3 306.837 3.417 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001008401454 656154243 /nfs/dbraw/zinc/15/42/43/656154243.db2.gz VYXIPCBEJJHVAU-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974551188 656213577 /nfs/dbraw/zinc/21/35/77/656213577.db2.gz GTMLHPURHSSIJU-ZDUSSCGKSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974583736 656215466 /nfs/dbraw/zinc/21/54/66/656215466.db2.gz NWJMHRQSYPSIJC-HZPDHXFCSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2nc(C(C)C)oc2C)C(C)(C)C1 ZINC000974580474 656215470 /nfs/dbraw/zinc/21/54/70/656215470.db2.gz YDQQZTMUFXCFPD-CQSZACIVSA-N 0 3 319.449 3.123 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2csc(C)c2C)C(C)(C)C1 ZINC000974618925 656216573 /nfs/dbraw/zinc/21/65/73/656216573.db2.gz GWNPNTSPAXITJC-OAHLLOKOSA-N 0 3 306.475 3.381 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc3c(o2)CCCC3)C(C)(C)C1 ZINC000974666605 656221028 /nfs/dbraw/zinc/22/10/28/656221028.db2.gz WBSCEMSMFMMOHF-QGZVFWFLSA-N 0 3 316.445 3.175 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(C)c(Cl)c2)C(C)(C)C1 ZINC000974738619 656227096 /nfs/dbraw/zinc/22/70/96/656227096.db2.gz 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C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)C1 ZINC001040214928 656569112 /nfs/dbraw/zinc/56/91/12/656569112.db2.gz CKUTZKCIDDNIIC-QUCCMNQESA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccccc3CCC)C2)C1 ZINC001040289304 656575013 /nfs/dbraw/zinc/57/50/13/656575013.db2.gz NUPMFTQKOWZYFJ-OAQYLSRUSA-N 0 3 324.468 3.200 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 ZINC001040361593 656581082 /nfs/dbraw/zinc/58/10/82/656581082.db2.gz TUIRNXJEKGNYHF-GOSISDBHSA-N 0 3 320.383 3.079 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)ccc3F)C2)C1 ZINC001040418774 656587141 /nfs/dbraw/zinc/58/71/41/656587141.db2.gz QMPDKOFHZIQJBK-LJQANCHMSA-N 0 3 316.420 3.248 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC001040496962 656590974 /nfs/dbraw/zinc/59/09/74/656590974.db2.gz NOQWMGRCBKCMST-RXVVDRJESA-N 0 3 324.468 3.046 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C ZINC001049298235 656594691 /nfs/dbraw/zinc/59/46/91/656594691.db2.gz RPJJUQDSHGWPPJ-GJZGRUSLSA-N 0 3 304.459 3.312 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3sccc3CC)C2)C1 ZINC001040543306 656596002 /nfs/dbraw/zinc/59/60/02/656596002.db2.gz OBFMWIFPRFTRQM-GOSISDBHSA-N 0 3 318.486 3.425 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CCC3CCCC3)C2)CC1 ZINC001040586246 656598286 /nfs/dbraw/zinc/59/82/86/656598286.db2.gz IBHQBZXQUUFJNH-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@@H]3CCC[C@H]3C)C2)CC1 ZINC001040705787 656603717 /nfs/dbraw/zinc/60/37/17/656603717.db2.gz KMRVAMQTRVTAOS-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001040824160 656609051 /nfs/dbraw/zinc/60/90/51/656609051.db2.gz QBIUIHBOXPFTOU-QZTJIDSGSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001040824158 656609099 /nfs/dbraw/zinc/60/90/99/656609099.db2.gz QBIUIHBOXPFTOU-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=Cc1ccc(C(=O)N2CCC3(C2)CCN(CC#CC)CC3)cc1 ZINC001040862474 656611969 /nfs/dbraw/zinc/61/19/69/656611969.db2.gz NZAARTMJWQGOIE-UHFFFAOYSA-N 0 3 322.452 3.281 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3C[C@]3(CC)C(C)C)C2)CC1 ZINC001040902530 656614437 /nfs/dbraw/zinc/61/44/37/656614437.db2.gz VCXMBLUNUNHBRA-YLJYHZDGSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C)o1 ZINC001049429936 656619514 /nfs/dbraw/zinc/61/95/14/656619514.db2.gz ZINUMLQDCGPRTQ-CVEARBPZSA-N 0 3 302.418 3.151 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1CC ZINC001049452315 656622377 /nfs/dbraw/zinc/62/23/77/656622377.db2.gz YFLZMHDPJNBODD-CVEARBPZSA-N 0 3 302.418 3.097 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981112446 656627108 /nfs/dbraw/zinc/62/71/08/656627108.db2.gz CWBZUVLQLKJJAK-LJQANCHMSA-N 0 3 310.441 3.085 20 30 DGEDHN Cc1cccc([C@@H](C)N2CCCN(C(=O)C#CC3CC3)CC2)c1 ZINC000981126452 656631213 /nfs/dbraw/zinc/63/12/13/656631213.db2.gz WLBMFJOTRBCKCG-QGZVFWFLSA-N 0 3 310.441 3.004 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C(C)C)nc1 ZINC001049525432 656635891 /nfs/dbraw/zinc/63/58/91/656635891.db2.gz QMXQKMXYACTMBF-QZTJIDSGSA-N 0 3 313.445 3.070 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1cccc(C(C)C)c1 ZINC001049567801 656642053 /nfs/dbraw/zinc/64/20/53/656642053.db2.gz OYIVDOHFWXSKBM-VQTJNVASSA-N 0 3 324.468 3.051 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(F)ccc1CC ZINC001049567554 656642370 /nfs/dbraw/zinc/64/23/70/656642370.db2.gz MHOHOQUJOZCJKS-ZWKOTPCHSA-N 0 3 316.420 3.253 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccnc2ccccc21 ZINC001049580043 656643694 /nfs/dbraw/zinc/64/36/94/656643694.db2.gz SDFXAJVFSQIFIS-RTBURBONSA-N 0 3 321.424 3.100 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccccc3C(C)(C)C)C2)C1 ZINC001041389447 656644677 /nfs/dbraw/zinc/64/46/77/656644677.db2.gz LRUYMVNWNWVDIR-NRFANRHFSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1(C)CCCCC1 ZINC001049584985 656645716 /nfs/dbraw/zinc/64/57/16/656645716.db2.gz ZIUHXRRQWXYIBW-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001049623937 656652021 /nfs/dbraw/zinc/65/20/21/656652021.db2.gz CHPWJNPBEOJJKJ-OALUTQOASA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2c(C)oc3ccccc32)CC1 ZINC000981232475 656653666 /nfs/dbraw/zinc/65/36/66/656653666.db2.gz CXYZIWHLKAKUJV-UHFFFAOYSA-N 0 3 312.413 3.465 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C(C)C ZINC001049661206 656658893 /nfs/dbraw/zinc/65/88/93/656658893.db2.gz RSRGVOWEQDPCTK-CVEARBPZSA-N 0 3 301.434 3.003 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(C(C)C)c1C ZINC001049661443 656659871 /nfs/dbraw/zinc/65/98/71/656659871.db2.gz TUHQSDZPXSTUNG-ZWKOTPCHSA-N 0 3 315.461 3.242 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C(C)C ZINC001049662577 656660136 /nfs/dbraw/zinc/66/01/36/656660136.db2.gz HUVSIPNRGWFZGO-DLBZAZTESA-N 0 3 314.429 3.105 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(Cl)c1F ZINC001049690316 656665647 /nfs/dbraw/zinc/66/56/47/656665647.db2.gz GOEZJLMPISQWQY-CABCVRRESA-N 0 3 322.811 3.344 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1Cl ZINC001049700500 656669237 /nfs/dbraw/zinc/66/92/37/656669237.db2.gz VZCDJTHKYKVAAN-UONOGXRCSA-N 0 3 308.809 3.188 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)CC3CCCCC3)C2)C1 ZINC001041720058 656670560 /nfs/dbraw/zinc/67/05/60/656670560.db2.gz IDHIHIIGCGUZLL-PXNSSMCTSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccsc1 ZINC001049719488 656673482 /nfs/dbraw/zinc/67/34/82/656673482.db2.gz RNBCSEAYEGOVBW-VNQPRFMTSA-N 0 3 304.459 3.103 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccsc1 ZINC001049719485 656673573 /nfs/dbraw/zinc/67/35/73/656673573.db2.gz RNBCSEAYEGOVBW-CWRNSKLLSA-N 0 3 304.459 3.103 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H](NCc3nccs3)C2)C1 ZINC000981319113 656677017 /nfs/dbraw/zinc/67/70/17/656677017.db2.gz NKAZAYUHFVEGOS-UONOGXRCSA-N 0 3 319.474 3.016 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2[nH]ccc21 ZINC001049745461 656677107 /nfs/dbraw/zinc/67/71/07/656677107.db2.gz FUCIHWFQMZHIKW-QZTJIDSGSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2[nH]ccc21 ZINC001049745462 656677339 /nfs/dbraw/zinc/67/73/39/656677339.db2.gz FUCIHWFQMZHIKW-ROUUACIJSA-N 0 3 309.413 3.033 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCCCCC1 ZINC001049750803 656679171 /nfs/dbraw/zinc/67/91/71/656679171.db2.gz NZQCNBRHUAQWRR-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCCCCC1 ZINC001049750970 656679376 /nfs/dbraw/zinc/67/93/76/656679376.db2.gz ATKJTIXCOFJDKL-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001049750423 656679412 /nfs/dbraw/zinc/67/94/12/656679412.db2.gz WPUAARCFOCFJML-XLAORIBOSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc2ccccc2c1 ZINC001049756412 656681097 /nfs/dbraw/zinc/68/10/97/656681097.db2.gz VCHOWVLVQNGCQY-RTBURBONSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc2ccccc2c1 ZINC001049756408 656681291 /nfs/dbraw/zinc/68/12/91/656681291.db2.gz VCHOWVLVQNGCQY-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(Cl)s1 ZINC001049767017 656683700 /nfs/dbraw/zinc/68/37/00/656683700.db2.gz ARDIZOVGRSPISQ-ZIAGYGMSSA-N 0 3 324.877 3.195 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC1CCCC1 ZINC001049766574 656683864 /nfs/dbraw/zinc/68/38/64/656683864.db2.gz DHPRFVLHNJRSDT-YTQUADARSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001049770393 656684196 /nfs/dbraw/zinc/68/41/96/656684196.db2.gz QVXOEPQLDDSXKD-XWSJACJDSA-N 0 3 310.441 3.041 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)C1CCCCC1 ZINC001049778193 656685475 /nfs/dbraw/zinc/68/54/75/656685475.db2.gz MTVJUHBJRVYZAY-NZSAHSFTSA-N 0 3 316.489 3.291 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3CCC(C)(C)CC3)C2)C1 ZINC001041850622 656686811 /nfs/dbraw/zinc/68/68/11/656686811.db2.gz LFJFVRDYMSHHLT-HXUWFJFHSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(F)F)cc1 ZINC001049789281 656687267 /nfs/dbraw/zinc/68/72/67/656687267.db2.gz XZCHVWBRRBBDEA-HOTGVXAUSA-N 0 3 320.383 3.489 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(F)F)cc1 ZINC001049789280 656687424 /nfs/dbraw/zinc/68/74/24/656687424.db2.gz XZCHVWBRRBBDEA-CVEARBPZSA-N 0 3 320.383 3.489 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1csc(C(C)C)n1 ZINC001049789875 656687779 /nfs/dbraw/zinc/68/77/79/656687779.db2.gz IFNYXPSUBBCQPL-HUUCEWRRSA-N 0 3 319.474 3.131 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000981435461 656695630 /nfs/dbraw/zinc/69/56/30/656695630.db2.gz JWPFHESJZBEYFK-WOJBJXKFSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c(C)cccn2c1 ZINC001049841381 656696268 /nfs/dbraw/zinc/69/62/68/656696268.db2.gz RXBPTHLORIRZNX-ZWKOTPCHSA-N 0 3 323.440 3.113 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c(C)cccn2c1 ZINC001049841380 656696729 /nfs/dbraw/zinc/69/67/29/656696729.db2.gz RXBPTHLORIRZNX-ROUUACIJSA-N 0 3 323.440 3.113 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001028093947 656697135 /nfs/dbraw/zinc/69/71/35/656697135.db2.gz SBWIXZNWCLKMPM-JHJVBQTASA-N 0 3 324.877 3.272 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccc(C)cc1 ZINC001049855506 656700724 /nfs/dbraw/zinc/70/07/24/656700724.db2.gz RSZYYYYGUPTVTC-YTQUADARSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(C)cc2Cl)CC1 ZINC000981472002 656703675 /nfs/dbraw/zinc/70/36/75/656703675.db2.gz AXQCGUGCVGILBH-UHFFFAOYSA-N 0 3 320.864 3.301 20 30 DGEDHN CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000981475121 656704684 /nfs/dbraw/zinc/70/46/84/656704684.db2.gz HLLSIFGGQCVMDV-SJORKVTESA-N 0 3 313.445 3.121 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041943322 656705356 /nfs/dbraw/zinc/70/53/56/656705356.db2.gz QQLKKYMNGVVUJA-QWHCGFSZSA-N 0 3 308.809 3.046 20 30 DGEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2ccccc2o1 ZINC001049872313 656707556 /nfs/dbraw/zinc/70/75/56/656707556.db2.gz RECYRKLAXIXEIX-SJORKVTESA-N 0 3 322.408 3.135 20 30 DGEDHN C=CCCN1CCCN(C(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000981503242 656709605 /nfs/dbraw/zinc/70/96/05/656709605.db2.gz JADNZNZBOKLWAI-SVFBPWRDSA-N 0 3 324.468 3.073 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1ccccc1 ZINC001049877297 656710229 /nfs/dbraw/zinc/71/02/29/656710229.db2.gz QDCBJZCHHIDTMM-MSOLQXFVSA-N 0 3 312.457 3.216 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c(c1)CCCC2 ZINC001049878797 656710868 /nfs/dbraw/zinc/71/08/68/656710868.db2.gz VFASKNIKNUXTAR-WOJBJXKFSA-N 0 3 324.468 3.430 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)cc(C)cc1C ZINC001049880533 656712221 /nfs/dbraw/zinc/71/22/21/656712221.db2.gz GAOPBBFATMYUTR-ZWKOTPCHSA-N 0 3 312.457 3.477 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccoc3Cl)C[C@H]21 ZINC001042019333 656713434 /nfs/dbraw/zinc/71/34/34/656713434.db2.gz FHLJHSQGZKLIKO-GXTWGEPZSA-N 0 3 308.809 3.046 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2cnccc21 ZINC001049902404 656717046 /nfs/dbraw/zinc/71/70/46/656717046.db2.gz SXBORNCQRQMBDQ-RTBURBONSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)C[C@H]21 ZINC001042068477 656718708 /nfs/dbraw/zinc/71/87/08/656718708.db2.gz XLFDXATXXUEABF-YLJYHZDGSA-N 0 3 324.468 3.288 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC(CC1)CC2 ZINC001049908431 656719451 /nfs/dbraw/zinc/71/94/51/656719451.db2.gz MNMUONNBKVWLMO-ISXWCOSWSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccccc1C ZINC001049912909 656719998 /nfs/dbraw/zinc/71/99/98/656719998.db2.gz QQXKXTHHMNENIC-BHIYHBOVSA-N 0 3 312.457 3.350 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1ccccc1 ZINC001049913386 656720921 /nfs/dbraw/zinc/72/09/21/656720921.db2.gz WOLNQPQWGLDVTP-WDSOQIARSA-N 0 3 312.457 3.117 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCC1(C)C ZINC001049914454 656721200 /nfs/dbraw/zinc/72/12/00/656721200.db2.gz DEZSIUDSSGZDFJ-IXDOHACOSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@@H]21 ZINC001042098224 656722642 /nfs/dbraw/zinc/72/26/42/656722642.db2.gz OFGMAUBDUROCRK-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001049925380 656726021 /nfs/dbraw/zinc/72/60/21/656726021.db2.gz XRKAQSDJJYCERL-BQTPPKLHSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc2ccccc12 ZINC001049937925 656728139 /nfs/dbraw/zinc/72/81/39/656728139.db2.gz XLWKPVJLWPKXIA-SJORKVTESA-N 0 3 310.397 3.298 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccn(C(C)C)c3C)C[C@H]21 ZINC001042197786 656733798 /nfs/dbraw/zinc/73/37/98/656733798.db2.gz GRTMDEXCMQAWOL-SJLPKXTDSA-N 0 3 315.461 3.100 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)Cc2cccc(C)c2Cl)CC1 ZINC000981605941 656734222 /nfs/dbraw/zinc/73/42/22/656734222.db2.gz 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/nfs/dbraw/zinc/72/06/98/661720698.db2.gz NSSXJIYOAUWUFD-ZIAGYGMSSA-N 0 3 312.413 3.190 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2CC1(CC#N)CC1 ZINC000934661349 661722841 /nfs/dbraw/zinc/72/28/41/661722841.db2.gz PVZVZCKAPPNBGY-KSSFIOAISA-N 0 3 319.449 3.059 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000934937123 661749893 /nfs/dbraw/zinc/74/98/93/661749893.db2.gz BYJLFBRMNJGBCM-IBGZPJMESA-N 0 3 319.408 3.064 20 30 DGEDHN N#CC(C(=O)CCc1nnc(-c2ccsc2)o1)c1ccccn1 ZINC000041481889 661834615 /nfs/dbraw/zinc/83/46/15/661834615.db2.gz WOVIZFVGEAJAHC-LBPRGKRZSA-N 0 3 324.365 3.002 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)C2=CCCC2)CCN1Cc1cccc(C#N)c1 ZINC000947183854 661891952 /nfs/dbraw/zinc/89/19/52/661891952.db2.gz BCPZHPVTWSMDGH-KXBFYZLASA-N 0 3 323.440 3.138 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(CCC)s2)C[C@@H]1C ZINC000947356632 661904144 /nfs/dbraw/zinc/90/41/44/661904144.db2.gz OJLVFWWWKFHSHI-GJZGRUSLSA-N 0 3 318.486 3.307 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c3ccccc3n2)C[C@@H]1C ZINC000947455101 661909527 /nfs/dbraw/zinc/90/95/27/661909527.db2.gz QYXRHAGIZXEQMN-JKSUJKDBSA-N 0 3 323.440 3.312 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CCCC)cc2)C[C@@H]1C ZINC000947518930 661913312 /nfs/dbraw/zinc/91/33/12/661913312.db2.gz ALOWGXRKYCPRTQ-QFBILLFUSA-N 0 3 312.457 3.245 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CCC2)C[C@H]1C ZINC000947596492 661919279 /nfs/dbraw/zinc/91/92/79/661919279.db2.gz AYKJFKWDJBSTFR-IEBWSBKVSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ncccc3s2)C[C@H]1C ZINC000947615628 661920233 /nfs/dbraw/zinc/92/02/33/661920233.db2.gz KGUXUTAEHSYEJR-OLZOCXBDSA-N 0 3 315.442 3.065 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C[C@@H]1C ZINC000947662921 661922858 /nfs/dbraw/zinc/92/28/58/661922858.db2.gz MQARUQQMAOVKNJ-MAUKXSAKSA-N 0 3 316.489 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000947741309 661928204 /nfs/dbraw/zinc/92/82/04/661928204.db2.gz LEFJJMOEAKXNSI-OCCSQVGLSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2C2CC2)C[C@@H]1C ZINC000948003440 661943838 /nfs/dbraw/zinc/94/38/38/661943838.db2.gz ZVEUAKORWREHLM-JSGCOSHPSA-N 0 3 304.459 3.394 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000948072786 661947790 /nfs/dbraw/zinc/94/77/90/661947790.db2.gz CZKUKOGJCVGSCI-CHWSQXEVSA-N 0 3 321.490 3.209 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C[C@H]1C ZINC000948075355 661948814 /nfs/dbraw/zinc/94/88/14/661948814.db2.gz XYSXGVQXDDPMMK-IAGOWNOFSA-N 0 3 324.468 3.090 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C[C@@H]1C ZINC000948078912 661948970 /nfs/dbraw/zinc/94/89/70/661948970.db2.gz QFXSSZYZXIMZNX-JKSUJKDBSA-N 0 3 323.440 3.082 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C[C@H]1C ZINC000948078911 661949339 /nfs/dbraw/zinc/94/93/39/661949339.db2.gz QFXSSZYZXIMZNX-HZPDHXFCSA-N 0 3 323.440 3.082 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C[C@H]1C ZINC000948082869 661949509 /nfs/dbraw/zinc/94/95/09/661949509.db2.gz JQOGENGFLNAMEN-ZNVHBHFFSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000948200886 661959539 /nfs/dbraw/zinc/95/95/39/661959539.db2.gz SHAASYQSEDMBOE-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000948200886 661959541 /nfs/dbraw/zinc/95/95/41/661959541.db2.gz SHAASYQSEDMBOE-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN CC(C)C(=O)N(C)[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000948200798 661959832 /nfs/dbraw/zinc/95/98/32/661959832.db2.gz QVNVJLRWOGTMSO-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000948378054 661971756 /nfs/dbraw/zinc/97/17/56/661971756.db2.gz PQXPPHGTSXRFNO-ZCNNSNEGSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000948665043 661989467 /nfs/dbraw/zinc/98/94/67/661989467.db2.gz FDIOLAHVCNAKPR-QGZVFWFLSA-N 0 3 323.440 3.036 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(F)c(C)c2)CC1 ZINC000948730060 661993755 /nfs/dbraw/zinc/99/37/55/661993755.db2.gz SFFODYIULRYTAR-KRWDZBQOSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)ccc2F)CC1 ZINC000948804878 661999145 /nfs/dbraw/zinc/99/91/45/661999145.db2.gz SNFXTIIRYCCAET-MRXNPFEDSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)cc2F)CC1 ZINC000948804033 661999362 /nfs/dbraw/zinc/99/93/62/661999362.db2.gz ALIJMEQESMELBE-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000948941350 662008685 /nfs/dbraw/zinc/00/86/85/662008685.db2.gz WPULRXSUOAOOSH-SLYNCCJLSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000948965362 662009985 /nfs/dbraw/zinc/00/99/85/662009985.db2.gz JKGHCCYIZBGDMY-MOPGFXCFSA-N 0 3 324.468 3.468 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000948966053 662010180 /nfs/dbraw/zinc/01/01/80/662010180.db2.gz UUXGHHLILDOSBR-OALUTQOASA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000948969273 662010284 /nfs/dbraw/zinc/01/02/84/662010284.db2.gz DMUUZHCGDGKEDR-XUVXKRRUSA-N 0 3 324.468 3.324 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3cccc(C)c3o2)CC1 ZINC001006455334 662058827 /nfs/dbraw/zinc/05/88/27/662058827.db2.gz OHCFPWJZDXNMDN-UHFFFAOYSA-N 0 3 312.413 3.464 20 30 DGEDHN N#Cc1ccccc1CNC[C@H]1CCC[C@H]1NC(=O)C1=CCCC1 ZINC001036980346 662216879 /nfs/dbraw/zinc/21/68/79/662216879.db2.gz HIFDLWHSHFKSMP-RTBURBONSA-N 0 3 323.440 3.043 20 30 DGEDHN CCN(Cc1cc(C#N)cs1)C[C@H](O)c1ccc(C)cc1 ZINC000093641214 662358513 /nfs/dbraw/zinc/35/85/13/662358513.db2.gz JURDSQHMIALNDY-KRWDZBQOSA-N 0 3 300.427 3.484 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(CC)nc2C)C(C)(C)C1 ZINC000941093329 685329089 /nfs/dbraw/zinc/32/90/89/685329089.db2.gz MSOPXIXJDGJJHF-ZDUSSCGKSA-N 0 3 321.490 3.030 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc3ccccc3c2)CC1 ZINC001006056474 685365708 /nfs/dbraw/zinc/36/57/08/685365708.db2.gz HSLHHZDYTBFLHI-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3cccc(F)c3o2)C1 ZINC001023758311 685373596 /nfs/dbraw/zinc/37/35/96/685373596.db2.gz VBVHQRXGXNQWSI-CYBMUJFWSA-N 0 3 316.376 3.200 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2nccc3ccsc32)C1 ZINC001046391420 685400583 /nfs/dbraw/zinc/40/05/83/685400583.db2.gz OJZADKNOMJXNPA-KRWDZBQOSA-N 0 3 315.442 3.067 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)Oc2ccccc2)c1 ZINC000127489919 685067579 /nfs/dbraw/zinc/06/75/79/685067579.db2.gz XLFLSPXSIMPBTL-YOEHRIQHSA-N 0 3 322.364 3.110 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001071369063 686646441 /nfs/dbraw/zinc/64/64/41/686646441.db2.gz LTBIDZBWQYWWMB-OCCSQVGLSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2c(C)noc2CCC)CC[C@H]1C ZINC001071501825 686670434 /nfs/dbraw/zinc/67/04/34/686670434.db2.gz VEVMLTSLRUKLNN-UKRRQHHQSA-N 0 3 319.449 3.094 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)oc3ccccc32)CC[C@@H]1C ZINC001071531665 686681136 /nfs/dbraw/zinc/68/11/36/686681136.db2.gz OLVDMHDRPISGPN-HOCLYGCPSA-N 0 3 324.424 3.347 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2C(C)C)CC[C@H]1C ZINC001071548700 686687153 /nfs/dbraw/zinc/68/71/53/686687153.db2.gz KQUSDPJKVXGTKB-IAGOWNOFSA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@H]1C ZINC001071561836 686688965 /nfs/dbraw/zinc/68/89/65/686688965.db2.gz WEVJTIONDNIMRZ-HIFRSBDPSA-N 0 3 301.434 3.051 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cccc2Cl)CC[C@@H]1C ZINC001071649172 686712779 /nfs/dbraw/zinc/71/27/79/686712779.db2.gz VOHLRCIEHUDZAQ-GJZGRUSLSA-N 0 3 320.864 3.346 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(c3ccccc3)CCC2)CC[C@@H]1C ZINC001071662864 686716203 /nfs/dbraw/zinc/71/62/03/686716203.db2.gz FPBKEELVQZMYLF-PKOBYXMFSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)cc2F)CC[C@@H]1C ZINC001071665760 686718197 /nfs/dbraw/zinc/71/81/97/686718197.db2.gz HRNKLPDHUOFWSJ-JSGCOSHPSA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2CCC)CC[C@H]1C ZINC001071674403 686721011 /nfs/dbraw/zinc/72/10/11/686721011.db2.gz SMOMLBYURGIPFQ-AEFFLSMTSA-N 0 3 312.457 3.245 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(C)c2Cl)CC[C@@H]1C ZINC001071681940 686722155 /nfs/dbraw/zinc/72/21/55/686722155.db2.gz CQBUQMJDRPFWHD-GOEBONIOSA-N 0 3 320.864 3.346 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(C(F)F)cc2)CC[C@H]1C ZINC001071680624 686722234 /nfs/dbraw/zinc/72/22/34/686722234.db2.gz VODZVRWFMGXVDS-CJNGLKHVSA-N 0 3 322.399 3.322 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cc(Cl)c2)CC[C@@H]1C ZINC001071685361 686722332 /nfs/dbraw/zinc/72/23/32/686722332.db2.gz AFSYIYSZEMFUFI-WMLDXEAASA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)ccc2C2CC2)CC[C@@H]1C ZINC001071701346 686727488 /nfs/dbraw/zinc/72/74/88/686727488.db2.gz HDPWLYWFXWUEGV-WMZOPIPTSA-N 0 3 324.468 3.478 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)ccc2C2CC2)CC[C@H]1C ZINC001071701345 686727508 /nfs/dbraw/zinc/72/75/08/686727508.db2.gz HDPWLYWFXWUEGV-SJLPKXTDSA-N 0 3 324.468 3.478 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3ncccc32)CC[C@@H]1C ZINC001071722658 686733495 /nfs/dbraw/zinc/73/34/95/686733495.db2.gz YOLYXJKTLHAIIU-JKSUJKDBSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)CC[C@H]1C ZINC001071735458 686737639 /nfs/dbraw/zinc/73/76/39/686737639.db2.gz MPAGSVRTTGXIBO-WBVHZDCISA-N 0 3 316.420 3.049 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2nccc3ccccc32)CC[C@H]1C ZINC001071776632 686748959 /nfs/dbraw/zinc/74/89/59/686748959.db2.gz WLWHMIIUCXEFOU-NVXWUHKLSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)CC[C@H]1C ZINC001071844974 686769274 /nfs/dbraw/zinc/76/92/74/686769274.db2.gz VMJKEJCZJOCJJV-TZMCWYRMSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)CC[C@H]1C ZINC001071844973 686769576 /nfs/dbraw/zinc/76/95/76/686769576.db2.gz VMJKEJCZJOCJJV-OCCSQVGLSA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccc(F)c2F)CC[C@H]1C ZINC001071852380 686772004 /nfs/dbraw/zinc/77/20/04/686772004.db2.gz ZEJUXOBTCAPFFJ-HIFRSBDPSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccc(F)c2F)CC[C@@H]1C ZINC001071852382 686772330 /nfs/dbraw/zinc/77/23/30/686772330.db2.gz ZEJUXOBTCAPFFJ-ZFWWWQNUSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C23CCC(CC2)C3(C)C)CC[C@H]1C ZINC001071879296 686779732 /nfs/dbraw/zinc/77/97/32/686779732.db2.gz BDWFKOZFCRRRBM-NZEHOUKNSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)CCC=C3)CC[C@H]1C ZINC001072003577 686811633 /nfs/dbraw/zinc/81/16/33/686811633.db2.gz VXKNFNYSECGVOM-OXQOHEQNSA-N 0 3 322.452 3.252 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001072015563 686820823 /nfs/dbraw/zinc/82/08/23/686820823.db2.gz FGQITMNDHKTWCW-KBPBESRZSA-N 0 3 306.837 3.499 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001072023729 686830253 /nfs/dbraw/zinc/83/02/53/686830253.db2.gz VSIMMWBQDCBEBO-XLIONFOSSA-N 0 3 324.468 3.146 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@@H]1C ZINC001072038025 686837341 /nfs/dbraw/zinc/83/73/41/686837341.db2.gz ZAJPAUQRONKVEY-WMLDXEAASA-N 0 3 313.445 3.118 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)CC[C@H]1C ZINC001072043915 686840166 /nfs/dbraw/zinc/84/01/66/686840166.db2.gz GKPIFDGHHLDIGU-AEFFLSMTSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072050548 686846248 /nfs/dbraw/zinc/84/62/48/686846248.db2.gz ZCOCAAUWLYUGBC-FUHWJXTLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(Cl)cn2CC)CC[C@H]1C ZINC001072072908 686856569 /nfs/dbraw/zinc/85/65/69/686856569.db2.gz QQWCZQBYOUSPBH-HIFRSBDPSA-N 0 3 323.868 3.320 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(c3cccc(C)c3)CC2)CC[C@H]1C ZINC001072098980 686863815 /nfs/dbraw/zinc/86/38/15/686863815.db2.gz JTNJSXVVUHJMFK-IEBWSBKVSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3coc4ccc(CC)cc34)C2)C1 ZINC001072735755 686955865 /nfs/dbraw/zinc/95/58/65/686955865.db2.gz PBOWIBOYFUYMSS-UHFFFAOYSA-N 0 3 324.424 3.329 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)C2)C1 ZINC001072827606 686965470 /nfs/dbraw/zinc/96/54/70/686965470.db2.gz QSOXDEGZYDTRKO-IYARVYRRSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001072945260 686989000 /nfs/dbraw/zinc/98/90/00/686989000.db2.gz XSEOHLGYBYYFJK-CQSZACIVSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC3(C2)CCN(Cc2ccsc2)C3)C1 ZINC001072964412 686992631 /nfs/dbraw/zinc/99/26/31/686992631.db2.gz WDAMSIPVSLASMV-UHFFFAOYSA-N 0 3 316.470 3.139 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H](c3ccccc3)C(C)C)C2)C1 ZINC001073015944 687000020 /nfs/dbraw/zinc/00/00/20/687000020.db2.gz AXONBFVJFJOKLI-SFHVURJKSA-N 0 3 312.457 3.147 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)C3CCCCC3)C2)C1 ZINC001073053453 687005820 /nfs/dbraw/zinc/00/58/20/687005820.db2.gz JQBKIJVFDSXLIC-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)C1 ZINC001073078351 687008936 /nfs/dbraw/zinc/00/89/36/687008936.db2.gz GAALWKCBJBKBAW-IYARVYRRSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc4sccc4c3)C2)C1 ZINC001073098910 687012340 /nfs/dbraw/zinc/01/23/40/687012340.db2.gz YHJLPODLZHXLSL-UHFFFAOYSA-N 0 3 312.438 3.235 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](CC)CC3CCCC3)[C@@H]2C1 ZINC001076318204 687507742 /nfs/dbraw/zinc/50/77/42/687507742.db2.gz NYKRDJZKMVZXQK-OKZBNKHCSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3cc(Cl)cs3)[C@@H]2C1 ZINC001076325033 687509434 /nfs/dbraw/zinc/50/94/34/687509434.db2.gz NDZPDBITEPSANZ-WCQYABFASA-N 0 3 310.850 3.124 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@@H]2C1 ZINC001076401798 687520214 /nfs/dbraw/zinc/52/02/14/687520214.db2.gz ZSLZCSQCDBBVFP-XLAORIBOSA-N 0 3 304.478 3.168 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4cccc(C)c4o3)[C@@H]2C1 ZINC001076614126 687542707 /nfs/dbraw/zinc/54/27/07/687542707.db2.gz CGXBIMMZGKVSRA-DLBZAZTESA-N 0 3 324.424 3.464 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618348 687544044 /nfs/dbraw/zinc/54/40/44/687544044.db2.gz IEUQMIRISKCMQW-YESZJQIVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076621942 687544815 /nfs/dbraw/zinc/54/48/15/687544815.db2.gz NRJYRNUSMXBNJU-GVDBMIGSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3cc(C)sc3C)[C@@H]2C1 ZINC001076620944 687545272 /nfs/dbraw/zinc/54/52/72/687545272.db2.gz YJKPJXMBZLQDLR-DLBZAZTESA-N 0 3 318.486 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccccc2C)C12CCC2 ZINC001078541642 687679715 /nfs/dbraw/zinc/67/97/15/687679715.db2.gz TZEONEZUEJLGFB-HZPDHXFCSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cccc(C)c2)C12CCC2 ZINC001078543720 687680403 /nfs/dbraw/zinc/68/04/03/687680403.db2.gz SHKYYIFLHZAOLH-HZPDHXFCSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cscc2C)C12CCC2 ZINC001078587260 687686124 /nfs/dbraw/zinc/68/61/24/687686124.db2.gz WFHZCKYMELUTCX-ZIAGYGMSSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(F)CCCC2)C12CCC2 ZINC001078663918 687699631 /nfs/dbraw/zinc/69/96/31/687699631.db2.gz WGVPUARIAAYDJC-QWHCGFSZSA-N 0 3 314.832 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C3CC3)CCC2)C12CCC2 ZINC001078689945 687704639 /nfs/dbraw/zinc/70/46/39/687704639.db2.gz FPLXRPJBTCUTIT-GJZGRUSLSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001079753933 687885871 /nfs/dbraw/zinc/88/58/71/687885871.db2.gz PYCXORLKICPTQQ-DNVCBOLYSA-N 0 3 312.457 3.192 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001080134883 687922866 /nfs/dbraw/zinc/92/28/66/687922866.db2.gz GTIUBVUMVLCAMB-XJKCOSOUSA-N 0 3 322.399 3.081 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c3ccccc23)C1 ZINC001080519452 687990727 /nfs/dbraw/zinc/99/07/27/687990727.db2.gz OKPHOYDFGKDWPI-DNVCBOLYSA-N 0 3 308.425 3.384 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001080521987 687991922 /nfs/dbraw/zinc/99/19/22/687991922.db2.gz VFFFCNUJQXHSEK-SOLBZPMBSA-N 0 3 300.446 3.111 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001080622058 688003408 /nfs/dbraw/zinc/00/34/08/688003408.db2.gz DGBLZSHEHMMZRR-RHSMWYFYSA-N 0 3 318.436 3.116 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C2CCCCCC2)C[C@H]1c1ccccc1 ZINC001081096625 688051208 /nfs/dbraw/zinc/05/12/08/688051208.db2.gz FEFPPOIWOZXVNR-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1c1ccccc1 ZINC001081098565 688051604 /nfs/dbraw/zinc/05/16/04/688051604.db2.gz HUWAWUJUQLLBEC-VQTJNVASSA-N 0 3 322.452 3.094 20 30 DGEDHN Cc1ccc(CN[C@@H](Cc2cn[nH]n2)c2ccccc2)cc1C#N ZINC001577395794 1191897682 /nfs/dbraw/zinc/89/76/82/1191897682.db2.gz VMVDIWSQERMLLD-IBGZPJMESA-N 0 3 317.396 3.058 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1nc(C)no1 ZINC001577426452 1191900482 /nfs/dbraw/zinc/90/04/82/1191900482.db2.gz OXERMGGGOZJVSG-CABCVRRESA-N 0 3 322.453 3.119 20 30 DGEDHN C[C@@H](Cc1ccc(F)cc1Cl)NCC1(C#N)CCOCC1 ZINC001660206727 1196457507 /nfs/dbraw/zinc/45/75/07/1196457507.db2.gz URFWAMKVXCJVSK-LBPRGKRZSA-N 0 3 310.800 3.320 20 30 DGEDHN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H](N)CCCC#N)o1 ZINC001578255596 1191934731 /nfs/dbraw/zinc/93/47/31/1191934731.db2.gz VAEPXBNHGCSFPP-CVEARBPZSA-N 0 3 317.433 3.307 20 30 DGEDHN CN(C(=O)[C@H](N)CCCCC#N)c1c(Cl)cccc1Cl ZINC001578368321 1191939590 /nfs/dbraw/zinc/93/95/90/1191939590.db2.gz LTTQNYNXTLTUSF-GFCCVEGCSA-N 0 3 314.216 3.367 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001580049020 1192004846 /nfs/dbraw/zinc/00/48/46/1192004846.db2.gz DLBPWXWNJVTFBV-SFHVURJKSA-N 0 3 313.445 3.372 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001580050795 1192004975 /nfs/dbraw/zinc/00/49/75/1192004975.db2.gz LRAAOXRSRSLQIY-MSOLQXFVSA-N 0 3 321.424 3.355 20 30 DGEDHN N#Cc1ccc(C2=CCN(C(=O)[C@@H](N)C3CCCCC3)CC2)cc1 ZINC001580066918 1192005554 /nfs/dbraw/zinc/00/55/54/1192005554.db2.gz ZDAAOEJBUHHMTN-IBGZPJMESA-N 0 3 323.440 3.082 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@H]21 ZINC001661554907 1196618253 /nfs/dbraw/zinc/61/82/53/1196618253.db2.gz HXFOJOONGLNXNS-JKUHXPQUSA-N 0 3 310.869 3.408 20 30 DGEDHN C=CCC[C@H](C)[NH2+]Cc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588577939 1192451949 /nfs/dbraw/zinc/45/19/49/1192451949.db2.gz RPSVDSIKXMMXOK-NSHDSACASA-N 0 3 303.435 3.033 20 30 DGEDHN C=CCC[C@H](C)[NH2+]Cc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588577939 1192451950 /nfs/dbraw/zinc/45/19/50/1192451950.db2.gz RPSVDSIKXMMXOK-NSHDSACASA-N 0 3 303.435 3.033 20 30 DGEDHN CCC[C@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001670457217 1176141386 /nfs/dbraw/zinc/14/13/86/1176141386.db2.gz RPMJGWCWIWTDNI-BLLLJJGKSA-N 0 3 319.474 3.040 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001671487032 1176149139 /nfs/dbraw/zinc/14/91/39/1176149139.db2.gz JDNGXUAUNGBLLG-QZTJIDSGSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001670527575 1176161784 /nfs/dbraw/zinc/16/17/84/1176161784.db2.gz JLISDHAHRYNASO-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccccc1CC ZINC001691035824 1176174959 /nfs/dbraw/zinc/17/49/59/1176174959.db2.gz NSXKZZLYCXMUBJ-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cc2ccccc2o1 ZINC001670673044 1176212130 /nfs/dbraw/zinc/21/21/30/1176212130.db2.gz VGEGKBJOEOFCCQ-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cc(C)cc(C)c1 ZINC001670686628 1176218559 /nfs/dbraw/zinc/21/85/59/1176218559.db2.gz ILHUBLQKUVRWQY-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001670712563 1176228927 /nfs/dbraw/zinc/22/89/27/1176228927.db2.gz BJEPXWPTDBFYKU-DOTOQJQBSA-N 0 3 317.477 3.372 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001670718805 1176231979 /nfs/dbraw/zinc/23/19/79/1176231979.db2.gz DXHVIXVHDLIQGV-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001670719538 1176232663 /nfs/dbraw/zinc/23/26/63/1176232663.db2.gz RQVJTGONAVBGPE-CQSZACIVSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001670729320 1176251045 /nfs/dbraw/zinc/25/10/45/1176251045.db2.gz IMRCWLGFGQGABF-XLIONFOSSA-N 0 3 312.457 3.047 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)NCc2cscn2)C1 ZINC001772541446 1176272944 /nfs/dbraw/zinc/27/29/44/1176272944.db2.gz CCDQISAPIHHPJM-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001691050711 1176277375 /nfs/dbraw/zinc/27/73/75/1176277375.db2.gz OENKMQQAARSLCL-INIZCTEOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001691069242 1176291561 /nfs/dbraw/zinc/29/15/61/1176291561.db2.gz XDBYXCFOXNTSTL-IAGOWNOFSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1[C@@H]1CCc2c1cccc2F ZINC001691069968 1176293134 /nfs/dbraw/zinc/29/31/34/1176293134.db2.gz SNTQZIBBNBDLJP-KBXCAEBGSA-N 0 3 316.420 3.360 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001691098099 1176309569 /nfs/dbraw/zinc/30/95/69/1176309569.db2.gz ZBAFEGRHSLVRNW-SJORKVTESA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccccc1F ZINC001691799053 1176314151 /nfs/dbraw/zinc/31/41/51/1176314151.db2.gz ZZCHTAFQYHXEDZ-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cccc(F)c2Cl)C1 ZINC001691135488 1176333247 /nfs/dbraw/zinc/33/32/47/1176333247.db2.gz QCJHJOFPJNJABG-MQMHXKEQSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](NCc2cc(C)ns2)C1 ZINC001691162084 1176348018 /nfs/dbraw/zinc/34/80/18/1176348018.db2.gz UUNVLYYESRTEJP-KKUMJFAQSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCCc2ccccc2)C1 ZINC001691163724 1176349827 /nfs/dbraw/zinc/34/98/27/1176349827.db2.gz CSPWWYFJMOOLCD-QAQDUYKDSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1CC(F)(F)C1)c1ccccc1 ZINC001691776769 1176374073 /nfs/dbraw/zinc/37/40/73/1176374073.db2.gz AMWFFMHJBLZCPX-OAHLLOKOSA-N 0 3 308.372 3.055 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc2ccccc21 ZINC001691196414 1176381751 /nfs/dbraw/zinc/38/17/51/1176381751.db2.gz OURAUASNSFRSJF-UHFFFAOYSA-N 0 3 308.425 3.305 20 30 DGEDHN C#CCCCC(=O)NCCN([C@@H](C)c1cccc(F)c1)C1CC1 ZINC001691207265 1176385973 /nfs/dbraw/zinc/38/59/73/1176385973.db2.gz JUHFOOHQQUNSRS-HNNXBMFYSA-N 0 3 316.420 3.271 20 30 DGEDHN CC#CCCCC(=O)NCCN(Cc1ccc(C)cc1)C1CC1 ZINC001691221282 1176398593 /nfs/dbraw/zinc/39/85/93/1176398593.db2.gz MOVZSVXXOZAHAY-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](CCC)C(C)C)C2)CC1 ZINC001691277371 1176420691 /nfs/dbraw/zinc/42/06/91/1176420691.db2.gz XKCLYFSTZKTZHO-ZWKOTPCHSA-N 0 3 318.505 3.395 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001691399301 1176465952 /nfs/dbraw/zinc/46/59/52/1176465952.db2.gz UGKNKYKDNDAHCO-QGZVFWFLSA-N 0 3 319.493 3.450 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001691410302 1176474465 /nfs/dbraw/zinc/47/44/65/1176474465.db2.gz OLJHLOWXYXXYDZ-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001691417036 1176477414 /nfs/dbraw/zinc/47/74/14/1176477414.db2.gz SSARLOOZKHMWNE-SWLSCSKDSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(Cl)c(OC)c1 ZINC001691426162 1176507249 /nfs/dbraw/zinc/50/72/49/1176507249.db2.gz BKFRDYFOCJLOCF-UHFFFAOYSA-N 0 3 324.852 3.109 20 30 DGEDHN CCCN(CCNC(=O)C#CC1CC1)Cc1ccc(Cl)cc1 ZINC001493288929 1176530207 /nfs/dbraw/zinc/53/02/07/1176530207.db2.gz LDODNNGABWPMOG-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001754383631 1176565466 /nfs/dbraw/zinc/56/54/66/1176565466.db2.gz WMPMEJGMLDEYQX-UHFFFAOYSA-N 0 3 319.836 3.281 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001754557512 1176604754 /nfs/dbraw/zinc/60/47/54/1176604754.db2.gz IWIOXQOYPUMNGN-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCC(F)(F)C1)C(C)C ZINC001725730517 1176605576 /nfs/dbraw/zinc/60/55/76/1176605576.db2.gz UWQWRHDNXYCKSK-AWEZNQCLSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001691458113 1176624470 /nfs/dbraw/zinc/62/44/70/1176624470.db2.gz KJYKXCKCTSIDFI-UPJWGTAASA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)SC ZINC001692362799 1176794441 /nfs/dbraw/zinc/79/44/41/1176794441.db2.gz PRMWCVZXPKXLPH-PMPSAXMXSA-N 0 3 310.507 3.160 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001752435309 1176816173 /nfs/dbraw/zinc/81/61/73/1176816173.db2.gz PKEQQISHRIKBKD-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001691494855 1176820556 /nfs/dbraw/zinc/82/05/56/1176820556.db2.gz OCVQJUNNEPEVNQ-JYJNAYRXSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CC1(F)F)c1ccc(C(C)C)cc1 ZINC001691766868 1176840352 /nfs/dbraw/zinc/84/03/52/1176840352.db2.gz FTLBGBCGSGUYAP-CVEARBPZSA-N 0 3 322.399 3.398 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001670788169 1176844535 /nfs/dbraw/zinc/84/45/35/1176844535.db2.gz AYKCAJVSUMHYDZ-UHFFFAOYSA-N 0 3 300.446 3.336 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@@H](NCc1nocc1C)C(C)C ZINC001755341326 1176901139 /nfs/dbraw/zinc/90/11/39/1176901139.db2.gz FUTHHEITCXEUCU-OAHLLOKOSA-N 0 3 321.465 3.158 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2ccc(C)cc2C)C1 ZINC001752652377 1176996261 /nfs/dbraw/zinc/99/62/61/1176996261.db2.gz KMUBCCKGZWBGBJ-QAQDUYKDSA-N 0 3 320.864 3.225 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)nc2)CCCCC1 ZINC001755347441 1177000242 /nfs/dbraw/zinc/00/02/42/1177000242.db2.gz HARFACAGZFXZLP-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H](CC)C(C)(C)C ZINC001755368167 1177018978 /nfs/dbraw/zinc/01/89/78/1177018978.db2.gz OCPSGXNDDWHOHQ-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001671671752 1177115292 /nfs/dbraw/zinc/11/52/92/1177115292.db2.gz BDWHPLRIEYRFII-KXBFYZLASA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1CCOC1CCC1 ZINC001752822245 1177204682 /nfs/dbraw/zinc/20/46/82/1177204682.db2.gz CLZZBDGPFPFUOJ-MRXNPFEDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NC/C=C\c3ccccc3)CC2)C1 ZINC001670850453 1177229214 /nfs/dbraw/zinc/22/92/14/1177229214.db2.gz JHZCEDGVLQCLJM-TWGQIWQCSA-N 0 3 310.441 3.295 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(N[C@@H](C)c3ccc(F)cc3)CC2)C1 ZINC001670850412 1177229524 /nfs/dbraw/zinc/22/95/24/1177229524.db2.gz IMRNABLEGAYWKQ-AWEZNQCLSA-N 0 3 316.420 3.481 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H](C)c1ccncc1)C(C)C ZINC001755811993 1177240243 /nfs/dbraw/zinc/24/02/43/1177240243.db2.gz IASZPGMJXVOJIF-QGZVFWFLSA-N 0 3 317.477 3.320 20 30 DGEDHN CCC(=O)N[C@H](CNCC#Cc1ccccc1Cl)C(C)(C)C ZINC001755815645 1177244229 /nfs/dbraw/zinc/24/42/29/1177244229.db2.gz QPAUOXRHAANCOR-MRXNPFEDSA-N 0 3 320.864 3.222 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CC2(C=C)CCCCC2)C1 ZINC001752840719 1177292231 /nfs/dbraw/zinc/29/22/31/1177292231.db2.gz LTYYBRDZQNRWPQ-ROUUACIJSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001691557412 1177311842 /nfs/dbraw/zinc/31/18/42/1177311842.db2.gz XUQPGNQFPGCFOT-YTQUADARSA-N 0 3 314.473 3.439 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC001691591847 1177321708 /nfs/dbraw/zinc/32/17/08/1177321708.db2.gz QSANVXZAWBJAQL-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@@H](NCc2ccns2)C1 ZINC001691621349 1177332086 /nfs/dbraw/zinc/33/20/86/1177332086.db2.gz VXEWQWDQWVOIDE-OAHLLOKOSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CC[C@H](C(=O)NCC1(NC/C=C/Cl)CC1)c1ccccc1 ZINC001670903403 1177523949 /nfs/dbraw/zinc/52/39/49/1177523949.db2.gz JCUYSSASAAZDSD-JCSUNJAGSA-N 0 3 318.848 3.337 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001670946388 1177551867 /nfs/dbraw/zinc/55/18/67/1177551867.db2.gz IPRKDYDZLVPLMT-CVEARBPZSA-N 0 3 314.429 3.037 20 30 DGEDHN C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001670946388 1177551873 /nfs/dbraw/zinc/55/18/73/1177551873.db2.gz IPRKDYDZLVPLMT-CVEARBPZSA-N 0 3 314.429 3.037 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(C)C ZINC001670969094 1177557586 /nfs/dbraw/zinc/55/75/86/1177557586.db2.gz JARVFLYSSNVQJC-KURKYZTESA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001691665463 1177618583 /nfs/dbraw/zinc/61/85/83/1177618583.db2.gz FFRANOOXOKZPGV-DZGCQCFKSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001330898221 1178087367 /nfs/dbraw/zinc/08/73/67/1178087367.db2.gz GIHBAHUEDGDGHU-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN C=CCC1(C(=O)N2CCC(N(C)C/C=C/Cl)CC2)CCC1 ZINC001331052925 1178123560 /nfs/dbraw/zinc/12/35/60/1178123560.db2.gz ARPMHQTYJUYVOR-VZUCSPMQSA-N 0 3 310.869 3.408 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001331405506 1178205415 /nfs/dbraw/zinc/20/54/15/1178205415.db2.gz KYLBJRLQMLWSRB-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001332010312 1178334098 /nfs/dbraw/zinc/33/40/98/1178334098.db2.gz AUDVJHPAODTMEX-UZLBHIALSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001332029578 1178339639 /nfs/dbraw/zinc/33/96/39/1178339639.db2.gz RCAXCGXTUHQXSW-UONOGXRCSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccc(F)cc2)[C@@H]1C ZINC001332205922 1178392458 /nfs/dbraw/zinc/39/24/58/1178392458.db2.gz LYQRVALQMHAMFU-MAUKXSAKSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001332239301 1178402362 /nfs/dbraw/zinc/40/23/62/1178402362.db2.gz GXAKQZGJXZZZMN-ZIAGYGMSSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CC[N@@H+](C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001332687773 1178472050 /nfs/dbraw/zinc/47/20/50/1178472050.db2.gz DHHUFOVFSGLDKZ-UHFFFAOYSA-N 0 3 304.434 3.141 20 30 DGEDHN C=C(C)CC[N@H+](C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001332687773 1178472055 /nfs/dbraw/zinc/47/20/55/1178472055.db2.gz DHHUFOVFSGLDKZ-UHFFFAOYSA-N 0 3 304.434 3.141 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ncc(Cl)s1)C(C)C ZINC001332720126 1178481320 /nfs/dbraw/zinc/48/13/20/1178481320.db2.gz LZEAPCGKBMBACH-UHFFFAOYSA-N 0 3 315.870 3.155 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC(CC3CCOCC3)C2)cc1 ZINC001332723218 1178483218 /nfs/dbraw/zinc/48/32/18/1178483218.db2.gz DOUHXKIVPJFSEW-OAHLLOKOSA-N 0 3 314.429 3.226 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C=C)c1ccccc1)C(C)C ZINC001332740664 1178489610 /nfs/dbraw/zinc/48/96/10/1178489610.db2.gz PVVXLMILGTXVNC-GOSISDBHSA-N 0 3 300.446 3.311 20 30 DGEDHN CCCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001332754869 1178492579 /nfs/dbraw/zinc/49/25/79/1178492579.db2.gz XVAKYASCRNBXBT-AWEZNQCLSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001332844642 1178507191 /nfs/dbraw/zinc/50/71/91/1178507191.db2.gz TVDZBOBVIFTPNM-DOTOQJQBSA-N 0 3 317.477 3.304 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@](C)(F)CCCC)C1 ZINC001333088558 1178553357 /nfs/dbraw/zinc/55/33/57/1178553357.db2.gz GRNBJRYMWPHGBZ-SSDMNJCBSA-N 0 3 304.837 3.236 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333107604 1178556259 /nfs/dbraw/zinc/55/62/59/1178556259.db2.gz JKHBOGFOIIOWGB-ATVHPVEESA-N 0 3 322.452 3.140 20 30 DGEDHN C=C(C)CCC(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001333181556 1178568028 /nfs/dbraw/zinc/56/80/28/1178568028.db2.gz PPWUMLNLHOKLDL-INIZCTEOSA-N 0 3 310.457 3.452 20 30 DGEDHN O[C@@]1(CNCC#Cc2ccccc2)CCC[C@H](C(F)(F)F)C1 ZINC001333716670 1178658892 /nfs/dbraw/zinc/65/88/92/1178658892.db2.gz FVAXJIUPFCVOSO-HOTGVXAUSA-N 0 3 311.347 3.111 20 30 DGEDHN CC(C)[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cnn(C)c1 ZINC001333735161 1178662640 /nfs/dbraw/zinc/66/26/40/1178662640.db2.gz ZGSJPGUSKCZUCT-XBMUEBEBSA-N 0 3 308.429 3.331 20 30 DGEDHN CC(C)Oc1cccc([C@H](O)CNCC#Cc2ccccc2)c1 ZINC001334183891 1178732928 /nfs/dbraw/zinc/73/29/28/1178732928.db2.gz QFEAYDAYMLYONG-HXUWFJFHSA-N 0 3 309.409 3.149 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCN(C)CC2)cc1 ZINC001335394186 1178903747 /nfs/dbraw/zinc/90/37/47/1178903747.db2.gz QITANVKAEIGQGO-HNNXBMFYSA-N 0 3 300.450 3.179 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC001341578651 1179031385 /nfs/dbraw/zinc/03/13/85/1179031385.db2.gz DVWODEAKLYGIIT-JQFCIGGWSA-N 0 3 304.409 3.419 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)NC(C1CCCC1)C1CCCC1 ZINC001341968809 1179087832 /nfs/dbraw/zinc/08/78/32/1179087832.db2.gz URAUPPPVNOVSRR-INIZCTEOSA-N 0 3 305.466 3.263 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC001342126994 1179107397 /nfs/dbraw/zinc/10/73/97/1179107397.db2.gz GXLULQABWQPEML-DLBZAZTESA-N 0 3 324.509 3.482 20 30 DGEDHN N#CCCc1ccc(NC(=O)c2cccc3c2CCNC3)cc1 ZINC001342520359 1179149354 /nfs/dbraw/zinc/14/93/54/1179149354.db2.gz RKYCBXNLWAYMPC-UHFFFAOYSA-N 0 3 305.381 3.041 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCC1CCOCC1 ZINC001343049634 1179229322 /nfs/dbraw/zinc/22/93/22/1179229322.db2.gz VZNPHOAHNKPMGP-UHFFFAOYSA-N 0 3 307.821 3.258 20 30 DGEDHN CO[C@@](C)(C(=O)C(C#N)c1cccc(F)n1)c1ccccc1F ZINC001343351305 1179260074 /nfs/dbraw/zinc/26/00/74/1179260074.db2.gz OXDSLRZBAAUJJZ-APPDUMDISA-N 0 3 316.307 3.098 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC001343957133 1179355285 /nfs/dbraw/zinc/35/52/85/1179355285.db2.gz IYSSHPDJTPJTCX-AWEZNQCLSA-N 0 3 318.808 3.148 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1c(F)cccc1F ZINC001344322747 1179412132 /nfs/dbraw/zinc/41/21/32/1179412132.db2.gz WXSPAZNCUGJJNH-CYBMUJFWSA-N 0 3 317.339 3.380 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001345622350 1179581529 /nfs/dbraw/zinc/58/15/29/1179581529.db2.gz ZIIFVUFBZBBVKX-YPMHNXCESA-N 0 3 318.327 3.001 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001345647213 1179586064 /nfs/dbraw/zinc/58/60/64/1179586064.db2.gz SLQLEVXGCIHLSU-CZUORRHYSA-N 0 3 311.385 3.282 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1sccc1C ZINC001345646599 1179586339 /nfs/dbraw/zinc/58/63/39/1179586339.db2.gz LNLJOWZCORGIBD-ZDUSSCGKSA-N 0 3 301.415 3.472 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCOc1ccccc1 ZINC001345647272 1179586767 /nfs/dbraw/zinc/58/67/67/1179586767.db2.gz UOMYIOJGNFJNNY-GDBMZVCRSA-N 0 3 311.385 3.184 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001346085541 1179650309 /nfs/dbraw/zinc/65/03/09/1179650309.db2.gz GHVQSEGGMPJMJX-MOPGFXCFSA-N 0 3 308.425 3.375 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(C)cc1Cl ZINC001346096441 1179652919 /nfs/dbraw/zinc/65/29/19/1179652919.db2.gz QGXJKTBVCDCSNY-CYBMUJFWSA-N 0 3 301.777 3.284 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3ccncc3)nc21 ZINC001347051916 1179772691 /nfs/dbraw/zinc/77/26/91/1179772691.db2.gz NNPAURPIVQBTIG-ZNMIVQPWSA-N 0 3 316.364 3.246 20 30 DGEDHN CCC(CC)n1nccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001347123540 1179779774 /nfs/dbraw/zinc/77/97/74/1179779774.db2.gz MKLBBJARZWKBPS-LBPRGKRZSA-N 0 3 300.337 3.268 20 30 DGEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137539 1179782704 /nfs/dbraw/zinc/78/27/04/1179782704.db2.gz OSHZLDBSGHQKJD-ZWNMCFTASA-N 0 3 301.708 3.159 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(SC)cc1 ZINC001349702638 1179935148 /nfs/dbraw/zinc/93/51/48/1179935148.db2.gz RJALXXJZUMADPC-OAHLLOKOSA-N 0 3 313.426 3.434 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C(F)F)c1 ZINC001349702445 1179935364 /nfs/dbraw/zinc/93/53/64/1179935364.db2.gz PLSQQKYVPCMNDG-ZDUSSCGKSA-N 0 3 303.312 3.260 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602832893 1192999480 /nfs/dbraw/zinc/99/94/80/1192999480.db2.gz ANKBYGWEFLXUCA-CQSZACIVSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602832893 1192999482 /nfs/dbraw/zinc/99/94/82/1192999482.db2.gz ANKBYGWEFLXUCA-CQSZACIVSA-N 0 3 315.421 3.100 20 30 DGEDHN C[C@@H]1Cc2cc(CNCc3cccc(OCC#N)c3)ccc2O1 ZINC001350887745 1180137085 /nfs/dbraw/zinc/13/70/85/1180137085.db2.gz DTRHZZOBCHHDBY-CQSZACIVSA-N 0 3 308.381 3.202 20 30 DGEDHN CC(C)[C@H](NC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 ZINC001351172156 1180182817 /nfs/dbraw/zinc/18/28/17/1180182817.db2.gz GOJMVJMUMOJFAZ-KGLIPLIRSA-N 0 3 300.324 3.267 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001480323355 1180366806 /nfs/dbraw/zinc/36/68/06/1180366806.db2.gz JRGRFHODQSINBJ-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001352868354 1180412905 /nfs/dbraw/zinc/41/29/05/1180412905.db2.gz HSRBREUODOFKET-AWEZNQCLSA-N 0 3 324.415 3.457 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2ccc(OC)cc2)CC1 ZINC001353313614 1180525395 /nfs/dbraw/zinc/52/53/95/1180525395.db2.gz OVJBTGAFZXYEMS-GOSISDBHSA-N 0 3 316.445 3.085 20 30 DGEDHN C#CCCCC(=O)NCC1CC(N[C@H](C)c2ccccc2F)C1 ZINC001100285612 1180530066 /nfs/dbraw/zinc/53/00/66/1180530066.db2.gz OCVQJUNNEPEVNQ-QQFBHYJXSA-N 0 3 316.420 3.175 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001353495303 1180570917 /nfs/dbraw/zinc/57/09/17/1180570917.db2.gz LQEGLWMZLSIREQ-JKSUJKDBSA-N 0 3 320.481 3.194 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001480533517 1180618579 /nfs/dbraw/zinc/61/85/79/1180618579.db2.gz KLKUZHXZLQVHSK-QWHCGFSZSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2c(C)cccc2C)C1 ZINC001100372043 1180624873 /nfs/dbraw/zinc/62/48/73/1180624873.db2.gz LHPSZZHVXBJIKE-UHFFFAOYSA-N 0 3 320.864 3.083 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC001353748235 1180641838 /nfs/dbraw/zinc/64/18/38/1180641838.db2.gz CKXVRTJMFNXCON-ZIAGYGMSSA-N 0 3 314.351 3.132 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC001353845653 1180662647 /nfs/dbraw/zinc/66/26/47/1180662647.db2.gz VBGWQTGCMAYGMK-LSDHHAIUSA-N 0 3 322.836 3.354 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100561320 1180791457 /nfs/dbraw/zinc/79/14/57/1180791457.db2.gz XATAFAQOOMDLHM-UHFFFAOYSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100596950 1180835781 /nfs/dbraw/zinc/83/57/81/1180835781.db2.gz KJYKXCKCTSIDFI-HIFPTAJRSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC001356499777 1181203115 /nfs/dbraw/zinc/20/31/15/1181203115.db2.gz UKRVFPORBNXKPY-INIZCTEOSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001357273284 1181378045 /nfs/dbraw/zinc/37/80/45/1181378045.db2.gz IFYHLPGBLBXADQ-AGIUHOORSA-N 0 3 306.372 3.155 20 30 DGEDHN CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@@H](N)CCCC#N ZINC001358168932 1181464455 /nfs/dbraw/zinc/46/44/55/1181464455.db2.gz BCICQLKQKDYEEQ-KRWDZBQOSA-N 0 3 319.449 3.355 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccccc2)CCCC1 ZINC001378355557 1181701142 /nfs/dbraw/zinc/70/11/42/1181701142.db2.gz VONZHWGLVIJGHM-UHFFFAOYSA-N 0 3 306.837 3.000 20 30 DGEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccc(C2CCC2)cc1 ZINC001492950586 1181747648 /nfs/dbraw/zinc/74/76/48/1181747648.db2.gz XQCJJQAJPUUZDD-UHFFFAOYSA-N 0 3 324.468 3.306 20 30 DGEDHN CCCCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001496005054 1181748996 /nfs/dbraw/zinc/74/89/96/1181748996.db2.gz UYAZAQDKHIXBAC-OAHLLOKOSA-N 0 3 320.864 3.318 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001448883446 1182216684 /nfs/dbraw/zinc/21/66/84/1182216684.db2.gz NZQBCFRSRIDVCY-CYBMUJFWSA-N 0 3 310.388 3.035 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001448875022 1182217584 /nfs/dbraw/zinc/21/75/84/1182217584.db2.gz VLIQSRKHAFMOAI-INIZCTEOSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1CCCc2ccccc21 ZINC001448881104 1182217655 /nfs/dbraw/zinc/21/76/55/1182217655.db2.gz GKRCDLXLANITEF-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C#CCN(C[C@H](O)c1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001459346822 1182582294 /nfs/dbraw/zinc/58/22/94/1182582294.db2.gz UBYFJLBAFPKRKX-SFTDATJTSA-N 0 3 316.404 3.214 20 30 DGEDHN C=C(C)[C@H](NCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001459980364 1182637166 /nfs/dbraw/zinc/63/71/66/1182637166.db2.gz NVHXUHSXLAOZGE-LBTNJELSSA-N 0 3 324.415 3.281 20 30 DGEDHN C#C[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)[C@H]1CCCO1 ZINC001459982870 1182637384 /nfs/dbraw/zinc/63/73/84/1182637384.db2.gz JHMPGXKHUQSENO-UYAOXDASSA-N 0 3 312.457 3.256 20 30 DGEDHN C=CCC[C@@H]1CCCN1CCS(=O)(=O)Cc1ccccc1 ZINC001460887436 1182735100 /nfs/dbraw/zinc/73/51/00/1182735100.db2.gz SMHKZSWMOMEFQD-QGZVFWFLSA-N 0 3 307.459 3.032 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1F ZINC001461252708 1182785912 /nfs/dbraw/zinc/78/59/12/1182785912.db2.gz CPVNNXBNDBXEDW-QZTJIDSGSA-N 0 3 316.351 3.438 20 30 DGEDHN CCCN(CCNCc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC001461407943 1182806759 /nfs/dbraw/zinc/80/67/59/1182806759.db2.gz OGIOQYPUAWFPCA-UHFFFAOYSA-N 0 3 323.462 3.356 20 30 DGEDHN C#CCOc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC001461522285 1182824758 /nfs/dbraw/zinc/82/47/58/1182824758.db2.gz OVDFCRLOEJJBMR-UHFFFAOYSA-N 0 3 304.393 3.477 20 30 DGEDHN C#Cc1cccc(NC(=O)CN(C)CC(C(C)C)C(C)C)c1 ZINC001461943810 1182882947 /nfs/dbraw/zinc/88/29/47/1182882947.db2.gz LBABPULQWJHHEU-UHFFFAOYSA-N 0 3 300.446 3.466 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC001464537244 1183098841 /nfs/dbraw/zinc/09/88/41/1183098841.db2.gz AOHZFGHFJJCZCD-IBGZPJMESA-N 0 3 306.409 3.009 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2cc(O)ccc21 ZINC001467728922 1183285086 /nfs/dbraw/zinc/28/50/86/1183285086.db2.gz VUIIUTLKHCSGHJ-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001468029897 1183306751 /nfs/dbraw/zinc/30/67/51/1183306751.db2.gz VIYJHASWDXHGLQ-QGZVFWFLSA-N 0 3 315.461 3.162 20 30 DGEDHN CCCCCCN(C)CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001470061874 1183458475 /nfs/dbraw/zinc/45/84/75/1183458475.db2.gz YKDINVCEHQPESG-UHFFFAOYSA-N 0 3 315.461 3.422 20 30 DGEDHN C#C[C@H]1CC[C@H](NC(=O)N(CCC)CCN2CCCCC2)CC1 ZINC001471234881 1183548403 /nfs/dbraw/zinc/54/84/03/1183548403.db2.gz PUPBXTAKJGNDPD-IYARVYRRSA-N 0 3 319.493 3.086 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001473142704 1183720222 /nfs/dbraw/zinc/72/02/22/1183720222.db2.gz UPHUZFFOWDHRGM-HOTGVXAUSA-N 0 3 308.466 3.367 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001473142703 1183720330 /nfs/dbraw/zinc/72/03/30/1183720330.db2.gz UPHUZFFOWDHRGM-CVEARBPZSA-N 0 3 308.466 3.367 20 30 DGEDHN CCCCO[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC001473260084 1183735851 /nfs/dbraw/zinc/73/58/51/1183735851.db2.gz PYUNLDCQRQWEGS-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN C#CC[C@H](NCCOC(=O)Cc1ccccc1)c1ccccc1 ZINC001473331415 1183745167 /nfs/dbraw/zinc/74/51/67/1183745167.db2.gz IUSYCOLLHKPFSO-IBGZPJMESA-N 0 3 307.393 3.127 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@@H](C4CCCC4)C3)C2=O)cc1 ZINC001473567832 1183774462 /nfs/dbraw/zinc/77/44/62/1183774462.db2.gz ZCGXOJCAZRSTBG-MJGOQNOKSA-N 0 3 323.440 3.176 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C1(CC)CC ZINC001474325591 1183905190 /nfs/dbraw/zinc/90/51/90/1183905190.db2.gz GSKBZBBWUPWFKM-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN C[C@@H](CCC#N)CN1CCN(c2nc3ccccc3s2)CC1 ZINC001474761244 1183975059 /nfs/dbraw/zinc/97/50/59/1183975059.db2.gz GMSWTOTUEYLDJV-AWEZNQCLSA-N 0 3 314.458 3.358 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001477803693 1184113292 /nfs/dbraw/zinc/11/32/92/1184113292.db2.gz VFJBPQIKKKTXJS-HOTGVXAUSA-N 0 3 321.509 3.398 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1(C)CCOCC1 ZINC001479261018 1184221783 /nfs/dbraw/zinc/22/17/83/1184221783.db2.gz ZKNJJTLZAGKDQX-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1(C)CCOCC1 ZINC001479261019 1184222179 /nfs/dbraw/zinc/22/21/79/1184222179.db2.gz ZKNJJTLZAGKDQX-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001479283533 1184227402 /nfs/dbraw/zinc/22/74/02/1184227402.db2.gz NYADDARPLLWLLH-JNSHFYNHSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H]2C=CCCC2)C1 ZINC001479459866 1184254881 /nfs/dbraw/zinc/25/48/81/1184254881.db2.gz HRZNINPNWOCEKU-OWCLPIDISA-N 0 3 310.869 3.360 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2C)CCCCC1 ZINC001479730333 1184303572 /nfs/dbraw/zinc/30/35/72/1184303572.db2.gz YSUBSBSLTAQVFT-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc[nH]c1CC ZINC001479822026 1184337865 /nfs/dbraw/zinc/33/78/65/1184337865.db2.gz MBPNWIAMHFQERD-CJNGLKHVSA-N 0 3 323.868 3.302 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc[nH]c1CC ZINC001479822020 1184338349 /nfs/dbraw/zinc/33/83/49/1184338349.db2.gz MBPNWIAMHFQERD-BBRMVZONSA-N 0 3 323.868 3.302 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccns1 ZINC001479828721 1184339978 /nfs/dbraw/zinc/33/99/78/1184339978.db2.gz DGMKXLYNHXHLAN-ZBFHGGJFSA-N 0 3 321.490 3.359 20 30 DGEDHN CC#CCN(CCCNC(=O)c1coc2ccccc12)C1CC1 ZINC001479881207 1184361592 /nfs/dbraw/zinc/36/15/92/1184361592.db2.gz VWEIDYCZPAGMLK-UHFFFAOYSA-N 0 3 310.397 3.040 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H](C)c1ccccc1C)C1CC1 ZINC001479881215 1184362825 /nfs/dbraw/zinc/36/28/25/1184362825.db2.gz WBGPFGMNHWXQRU-KRWDZBQOSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2cc(F)ccc2F)CC1 ZINC001479896380 1184368338 /nfs/dbraw/zinc/36/83/38/1184368338.db2.gz QEBVKUKGUVTTPN-UHFFFAOYSA-N 0 3 322.399 3.006 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC001479900672 1184370485 /nfs/dbraw/zinc/37/04/85/1184370485.db2.gz XPDGXUAZUOLSIU-MAUKXSAKSA-N 0 3 321.424 3.080 20 30 DGEDHN Cc1cccc(C)c1CN1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001479902808 1184373567 /nfs/dbraw/zinc/37/35/67/1184373567.db2.gz BOBLZBTWFUHACY-SFHVURJKSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001479950988 1184385987 /nfs/dbraw/zinc/38/59/87/1184385987.db2.gz UGGVWKSSBZJYEL-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001479973099 1184401459 /nfs/dbraw/zinc/40/14/59/1184401459.db2.gz WIJYDZVRPVOTKJ-ZDUSSCGKSA-N 0 3 321.490 3.211 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001479986134 1184403434 /nfs/dbraw/zinc/40/34/34/1184403434.db2.gz FBMMOIQBTWANQZ-IRXDYDNUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001479994579 1184407528 /nfs/dbraw/zinc/40/75/28/1184407528.db2.gz VDZUIARWLLYIGN-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCC(C)C ZINC001480103146 1184435453 /nfs/dbraw/zinc/43/54/53/1184435453.db2.gz IKKPSNKJYFPHIK-OKZBNKHCSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001480211179 1184460785 /nfs/dbraw/zinc/46/07/85/1184460785.db2.gz OTNPYRXEGHKLQX-IAMSIJSXSA-N 0 3 322.811 3.218 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2scnc2C)C1 ZINC001480261599 1184473468 /nfs/dbraw/zinc/47/34/68/1184473468.db2.gz OFRXYVZFOAQAMS-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccccc1CC ZINC001480320420 1184492235 /nfs/dbraw/zinc/49/22/35/1184492235.db2.gz VAJNGWCKUHSFAT-IBGZPJMESA-N 0 3 314.473 3.338 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001480321019 1184492476 /nfs/dbraw/zinc/49/24/76/1184492476.db2.gz GLLSUWIVZSZEPZ-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001480344383 1184500046 /nfs/dbraw/zinc/50/00/46/1184500046.db2.gz JCKWRSUCSBWLFK-QGZVFWFLSA-N 0 3 316.420 3.100 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCc1cnc(C)s1 ZINC001480345569 1184500596 /nfs/dbraw/zinc/50/05/96/1184500596.db2.gz KOIJOSQBMHGLDF-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC001480379495 1184515146 /nfs/dbraw/zinc/51/51/46/1184515146.db2.gz JYCYFEOTUOPNTJ-GDBMZVCRSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001480517120 1184540798 /nfs/dbraw/zinc/54/07/98/1184540798.db2.gz AZAZBYJERNARGS-LBPRGKRZSA-N 0 3 312.866 3.189 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001480542118 1184545717 /nfs/dbraw/zinc/54/57/17/1184545717.db2.gz BPXKFQFFNOGRCL-OAHLLOKOSA-N 0 3 318.461 3.200 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001480611908 1184559078 /nfs/dbraw/zinc/55/90/78/1184559078.db2.gz MRBPBGXQQSLHBL-OCCSQVGLSA-N 0 3 308.372 3.183 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)cccc2Cl)C1 ZINC001480734555 1184591696 /nfs/dbraw/zinc/59/16/96/1184591696.db2.gz HZDHACCBXOSPMN-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001480803075 1184612110 /nfs/dbraw/zinc/61/21/10/1184612110.db2.gz IMGZSGXRTNBOLG-CQSZACIVSA-N 0 3 318.848 3.497 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)c1ccccc1 ZINC001480807833 1184613118 /nfs/dbraw/zinc/61/31/18/1184613118.db2.gz SZPABXDUOFBXSN-AWEZNQCLSA-N 0 3 308.853 3.201 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN(Cc3ccc(F)cc3)C2)C1 ZINC001493239296 1184672592 /nfs/dbraw/zinc/67/25/92/1184672592.db2.gz ZHIWFALKJHPXRK-MRXNPFEDSA-N 0 3 316.420 3.120 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2ccncc2c1)C1CC1 ZINC001493437346 1184707729 /nfs/dbraw/zinc/70/77/29/1184707729.db2.gz BVTYFNYZFCLYPU-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN CC#CCNCCN(C)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001493590536 1184719350 /nfs/dbraw/zinc/71/93/50/1184719350.db2.gz ZYTYYYCESGHDRN-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccsc1C)c1ccccc1 ZINC001493897330 1184761037 /nfs/dbraw/zinc/76/10/37/1184761037.db2.gz FLJGXLWKAPFZHN-KRWDZBQOSA-N 0 3 314.454 3.232 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C(F)F)o1)c1ccccc1 ZINC001493904215 1184762566 /nfs/dbraw/zinc/76/25/66/1184762566.db2.gz PGJZSGYLZCRJPZ-CYBMUJFWSA-N 0 3 320.339 3.464 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(Cl)o2)C1 ZINC001493936665 1184769517 /nfs/dbraw/zinc/76/95/17/1184769517.db2.gz ZGDSIBCJFUJZMI-CYBMUJFWSA-N 0 3 310.825 3.436 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001493968949 1184780204 /nfs/dbraw/zinc/78/02/04/1184780204.db2.gz NIYSCTSJGLPUGY-DLBZAZTESA-N 0 3 316.445 3.028 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001494673593 1184903270 /nfs/dbraw/zinc/90/32/70/1184903270.db2.gz YAACMHAPYFVQLI-ILXRZTDVSA-N 0 3 314.420 3.309 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CCCC2CCCCC2)C1 ZINC001494869195 1184948568 /nfs/dbraw/zinc/94/85/68/1184948568.db2.gz UPQRLEOPLUWROU-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN CC1(C)C[C@@H]1C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001495148215 1185004857 /nfs/dbraw/zinc/00/48/57/1185004857.db2.gz TWOCCTVCJOUYGJ-GOSISDBHSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCCCC(=O)N[C@]1(CNCC(=C)Cl)CCCC[C@H]1C ZINC001495321928 1185029376 /nfs/dbraw/zinc/02/93/76/1185029376.db2.gz CUIJGKOPHUAVEA-PBHICJAKSA-N 0 3 310.869 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001495721057 1185094551 /nfs/dbraw/zinc/09/45/51/1185094551.db2.gz ZFINSLZUYPFBBU-CYBMUJFWSA-N 0 3 324.415 3.409 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001496005545 1185124085 /nfs/dbraw/zinc/12/40/85/1185124085.db2.gz WXRHHWHLCVHMJZ-CABCVRRESA-N 0 3 320.864 3.174 20 30 DGEDHN CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001496144745 1185139886 /nfs/dbraw/zinc/13/98/86/1185139886.db2.gz WKBLFWAOGMFONO-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN CC(C)=CC(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001496259075 1185156824 /nfs/dbraw/zinc/15/68/24/1185156824.db2.gz ZRMHKVGSFIHNLE-AWEZNQCLSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CSCCC ZINC001496382656 1185178835 /nfs/dbraw/zinc/17/88/35/1185178835.db2.gz HURMZEZRDNQNBS-CQSZACIVSA-N 0 3 318.914 3.243 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CSCCC ZINC001496382654 1185179085 /nfs/dbraw/zinc/17/90/85/1185179085.db2.gz HURMZEZRDNQNBS-AWEZNQCLSA-N 0 3 318.914 3.243 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C[C@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001496524453 1185207096 /nfs/dbraw/zinc/20/70/96/1185207096.db2.gz VTONKLLAYBXDIC-VQTJNVASSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(Cl)s1)C(C)C ZINC001496627428 1185222583 /nfs/dbraw/zinc/22/25/83/1185222583.db2.gz IFBWPDUAXXQQGT-SNVBAGLBSA-N 0 3 321.273 3.498 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-n2cccc2)cc1 ZINC001496739174 1185240149 /nfs/dbraw/zinc/24/01/49/1185240149.db2.gz ZFVIHOSSBVOAPS-UHFFFAOYSA-N 0 3 311.429 3.057 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001496758770 1185241725 /nfs/dbraw/zinc/24/17/25/1185241725.db2.gz QOPGHNYZSMUBBU-QGZVFWFLSA-N 0 3 318.436 3.415 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1cc(C)cc(C)c1 ZINC001496816254 1185253174 /nfs/dbraw/zinc/25/31/74/1185253174.db2.gz GVTPIAUFPXYOQK-UHFFFAOYSA-N 0 3 302.462 3.202 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCN[C@@H](C)c1nc2ccccc2o1 ZINC001497156288 1185288828 /nfs/dbraw/zinc/28/88/28/1185288828.db2.gz UAWMBOPFZFUBCB-KBPBESRZSA-N 0 3 315.417 3.339 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCCc2ccccc21 ZINC001497217943 1185298480 /nfs/dbraw/zinc/29/84/80/1185298480.db2.gz YOXYCPUNTBFSOP-YOEHRIQHSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)CC(C)=C(C)C ZINC001497246816 1185303080 /nfs/dbraw/zinc/30/30/80/1185303080.db2.gz FQWHTKYGJKEYBS-CYBMUJFWSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)C(C)(C)CCC ZINC001497260681 1185305459 /nfs/dbraw/zinc/30/54/59/1185305459.db2.gz YPLGUJUHLQDXSY-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](CCC)c1ccccc1 ZINC001497498736 1185342105 /nfs/dbraw/zinc/34/21/05/1185342105.db2.gz XBJYYCLBQYVKBL-SFHVURJKSA-N 0 3 300.446 3.032 20 30 DGEDHN CC(C)[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001497928929 1185410652 /nfs/dbraw/zinc/41/06/52/1185410652.db2.gz OXAHAJCZLQPYTB-HUUCEWRRSA-N 0 3 320.864 3.078 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001497986671 1185419164 /nfs/dbraw/zinc/41/91/64/1185419164.db2.gz DHONXSNQLWQSPY-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN CC1=CC[C@](C)(C(=O)N[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001497991818 1185419822 /nfs/dbraw/zinc/41/98/22/1185419822.db2.gz YNIMVZAGOGEJQX-NQIIRXRSSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C(C)C)nc1CC ZINC001498385191 1185483751 /nfs/dbraw/zinc/48/37/51/1185483751.db2.gz HPZJYVLUHXXUJH-AWEZNQCLSA-N 0 3 303.450 3.004 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001498426187 1185492019 /nfs/dbraw/zinc/49/20/19/1185492019.db2.gz GVUKOLNEVGDVDG-GHMZBOCLSA-N 0 3 300.855 3.128 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001498656453 1185528903 /nfs/dbraw/zinc/52/89/03/1185528903.db2.gz XMIDTANXWIEJOA-HNNXBMFYSA-N 0 3 322.880 3.364 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001499014861 1185592393 /nfs/dbraw/zinc/59/23/93/1185592393.db2.gz KVXLKCOTZKIKJX-NVXWUHKLSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001499048666 1185600424 /nfs/dbraw/zinc/60/04/24/1185600424.db2.gz QKGXPNBENAHCOC-WMLDXEAASA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001499063405 1185603941 /nfs/dbraw/zinc/60/39/41/1185603941.db2.gz PJEMCEUWYSIZKO-HUUCEWRRSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001499102699 1185611539 /nfs/dbraw/zinc/61/15/39/1185611539.db2.gz WPXITQPWUXRMQX-JKSUJKDBSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001499124740 1185616299 /nfs/dbraw/zinc/61/62/99/1185616299.db2.gz PNGKWXVRTJZVQS-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001499124742 1185617228 /nfs/dbraw/zinc/61/72/28/1185617228.db2.gz PNGKWXVRTJZVQS-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001499135504 1185618688 /nfs/dbraw/zinc/61/86/88/1185618688.db2.gz AYRRXHKQCIAOCM-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001499135503 1185618953 /nfs/dbraw/zinc/61/89/53/1185618953.db2.gz AYRRXHKQCIAOCM-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccc(C(C)C)cc2)CC1 ZINC001499212045 1185626405 /nfs/dbraw/zinc/62/64/05/1185626405.db2.gz GMQDAARIPJQWQM-UHFFFAOYSA-N 0 3 312.457 3.352 20 30 DGEDHN C=C1CCC(C(=O)NCC2(NCc3cccc(C)c3)CC2)CC1 ZINC001499340429 1185639530 /nfs/dbraw/zinc/63/95/30/1185639530.db2.gz NGBMOODFYISSET-UHFFFAOYSA-N 0 3 312.457 3.480 20 30 DGEDHN CC(C)CCCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001499358364 1185642628 /nfs/dbraw/zinc/64/26/28/1185642628.db2.gz LTDRVNYXMSKZAC-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN O=C(C#CC1CC1)NCCN(C/C=C/Cl)C1CCCCCC1 ZINC001499517509 1185660869 /nfs/dbraw/zinc/66/08/69/1185660869.db2.gz FCVQZLKBCHZEOJ-LFYBBSHMSA-N 0 3 322.880 3.293 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)CC1 ZINC001499584937 1185672704 /nfs/dbraw/zinc/67/27/04/1185672704.db2.gz MRIVUOZGTDTOHS-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCCC(=O)N(CC#C)C1CCN(CC=C(C)C)CC1 ZINC001500034437 1185732938 /nfs/dbraw/zinc/73/29/38/1185732938.db2.gz NFICPFUKBVHYKJ-UHFFFAOYSA-N 0 3 314.473 3.072 20 30 DGEDHN C#CCN(C(=O)c1oc(C)cc1C)C1CCN(CC(=C)C)CC1 ZINC001500032861 1185733167 /nfs/dbraw/zinc/73/31/67/1185733167.db2.gz MTXWDIFYYPPPGL-UHFFFAOYSA-N 0 3 314.429 3.012 20 30 DGEDHN C#CCN(C(=O)c1ccc(C=C)cc1)C1CCN(CC(=C)C)CC1 ZINC001500047642 1185733692 /nfs/dbraw/zinc/73/36/92/1185733692.db2.gz WQFSJFDFMBBFCD-UHFFFAOYSA-N 0 3 322.452 3.446 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001500611422 1185828459 /nfs/dbraw/zinc/82/84/59/1185828459.db2.gz SFWPELJBNLXVEV-CYBMUJFWSA-N 0 3 302.409 3.071 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)/C=C(\C)CC)C2)CC1 ZINC001501016082 1185855891 /nfs/dbraw/zinc/85/58/91/1185855891.db2.gz SFVNVAYCBHUIIC-POWXATIXSA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1CC ZINC001501019590 1185857063 /nfs/dbraw/zinc/85/70/63/1185857063.db2.gz SAQXENYLNVPXBT-RDTXWAMCSA-N 0 3 300.446 3.228 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC1=CCCCC1 ZINC001501193665 1185881781 /nfs/dbraw/zinc/88/17/81/1185881781.db2.gz LPNZVHPQVDSHPK-UHFFFAOYSA-N 0 3 310.441 3.129 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H](C)C1CC1 ZINC001501200230 1185882893 /nfs/dbraw/zinc/88/28/93/1185882893.db2.gz VVCJQSACICACKG-QGZVFWFLSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001501582052 1185909915 /nfs/dbraw/zinc/90/99/15/1185909915.db2.gz PQJFUHRIVHCTLC-CKDBGZEDSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H](CC)SC ZINC001501660852 1185918019 /nfs/dbraw/zinc/91/80/19/1185918019.db2.gz CZOKJYMLBKPTKD-QGZVFWFLSA-N 0 3 320.502 3.452 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2occc2Cl)cc1 ZINC001501679797 1185920990 /nfs/dbraw/zinc/92/09/90/1185920990.db2.gz UYFUURIOJMDGRF-GFCCVEGCSA-N 0 3 316.788 3.147 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502108245 1185953492 /nfs/dbraw/zinc/95/34/92/1185953492.db2.gz ZZMDVNOPVZWCQL-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1CCC1 ZINC001502519181 1185990825 /nfs/dbraw/zinc/99/08/25/1185990825.db2.gz HFUPOLVSXHUSOY-LJQANCHMSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC(=C)C ZINC001502532599 1185991983 /nfs/dbraw/zinc/99/19/83/1185991983.db2.gz UKQJLOLKRJOOOL-LJQANCHMSA-N 0 3 312.457 3.462 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@H](C)OCC)cc2C1 ZINC001502646883 1185999567 /nfs/dbraw/zinc/99/95/67/1185999567.db2.gz BPPCTHOACRFHIP-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1(CC)CC1 ZINC001503689443 1186050870 /nfs/dbraw/zinc/05/08/70/1186050870.db2.gz ANVDDKSHDXXVBO-GOSISDBHSA-N 0 3 312.457 3.468 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](F)CC ZINC001503679220 1186051473 /nfs/dbraw/zinc/05/14/73/1186051473.db2.gz WRJXFGXJFMKIBD-ROUUACIJSA-N 0 3 318.436 3.416 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2cccc(F)c2o1 ZINC001505465975 1186089653 /nfs/dbraw/zinc/08/96/53/1186089653.db2.gz PLTBFOGUSYCTQY-CQSZACIVSA-N 0 3 316.376 3.294 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001505670200 1186121524 /nfs/dbraw/zinc/12/15/24/1186121524.db2.gz BDOQCZHNDTVIOL-KGLIPLIRSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1ccoc1 ZINC001505805363 1186141589 /nfs/dbraw/zinc/14/15/89/1186141589.db2.gz BNQANAREBBKMJW-UHFFFAOYSA-N 0 3 312.841 3.039 20 30 DGEDHN C[C@@H](C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC001505946713 1186168258 /nfs/dbraw/zinc/16/82/58/1186168258.db2.gz TUOQBZKSDFPUPK-GJZGRUSLSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2ncccc2C)CCCCC1 ZINC001506506805 1186236161 /nfs/dbraw/zinc/23/61/61/1186236161.db2.gz MEBDSZCWVPTXJD-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC12CC2 ZINC001506548404 1186245402 /nfs/dbraw/zinc/24/54/02/1186245402.db2.gz IJPGRLSHLJFYTE-OALUTQOASA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001506621308 1186262973 /nfs/dbraw/zinc/26/29/73/1186262973.db2.gz RPAQEIWEFSTRON-QGZVFWFLSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001506654814 1186269245 /nfs/dbraw/zinc/26/92/45/1186269245.db2.gz LLZQKAXTPLRWIY-HNNXBMFYSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2cccs2)C(C)(C)C1 ZINC001506755174 1186288666 /nfs/dbraw/zinc/28/86/66/1186288666.db2.gz ZMOIRWJZXZDZOG-HNNXBMFYSA-N 0 3 306.475 3.083 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C1(C)CCC1 ZINC001506934004 1186316377 /nfs/dbraw/zinc/31/63/77/1186316377.db2.gz RAUJBXDTHBTGFF-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C2CC2)cn1 ZINC001506949622 1186320628 /nfs/dbraw/zinc/32/06/28/1186320628.db2.gz YWGLXPDFNOHWIX-CYBMUJFWSA-N 0 3 321.852 3.200 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)c(C)cc1Cl ZINC001507110527 1186361310 /nfs/dbraw/zinc/36/13/10/1186361310.db2.gz NGXZVVCMIBPSQP-AWEZNQCLSA-N 0 3 306.837 3.030 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(C)c(C)cc1Cl ZINC001507110529 1186361798 /nfs/dbraw/zinc/36/17/98/1186361798.db2.gz NGXZVVCMIBPSQP-CQSZACIVSA-N 0 3 306.837 3.030 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2cc(C)ccc2F)C[C@H]1C ZINC001507312770 1186387740 /nfs/dbraw/zinc/38/77/40/1186387740.db2.gz FTGBDCGDQVGXRV-WBVHZDCISA-N 0 3 316.420 3.017 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001507339659 1186395715 /nfs/dbraw/zinc/39/57/15/1186395715.db2.gz GEOBSTBVMJUHJM-NVXWUHKLSA-N 0 3 304.459 3.328 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(CCOCC)CCC2)[C@@H]1C ZINC001507379148 1186408942 /nfs/dbraw/zinc/40/89/42/1186408942.db2.gz ZGXWOPDHXCQPTD-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccccc2)[C@H]1C ZINC001507381312 1186410520 /nfs/dbraw/zinc/41/05/20/1186410520.db2.gz BATZDHDNOCCPIV-SJLPKXTDSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2nccs2)[C@@H]1C ZINC001507383061 1186410543 /nfs/dbraw/zinc/41/05/43/1186410543.db2.gz SJCKCXIWEJAKBB-GJZGRUSLSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C(C)CN(CC)c1nnc(C(C)C)n1CCN1CC=CCC1 ZINC001507811440 1186444728 /nfs/dbraw/zinc/44/47/28/1186444728.db2.gz AAYKTBHKMOQKTA-UHFFFAOYSA-N 0 3 317.481 3.066 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@@H]1CCCC1(F)F)C(C)C ZINC001507827750 1186447375 /nfs/dbraw/zinc/44/73/75/1186447375.db2.gz GTOYDPALKRZUON-HNNXBMFYSA-N 0 3 314.420 3.004 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001508068932 1186476957 /nfs/dbraw/zinc/47/69/57/1186476957.db2.gz RNIXVDBAJOJXID-SJLPKXTDSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001508074447 1186478157 /nfs/dbraw/zinc/47/81/57/1186478157.db2.gz PCZCCHKCDXGYIE-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001508090879 1186480044 /nfs/dbraw/zinc/48/00/44/1186480044.db2.gz MYIJGVMVPJLSLF-HNNXBMFYSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)CC3(C)CCCCC3)CC2)CC1 ZINC001508162332 1186486019 /nfs/dbraw/zinc/48/60/19/1186486019.db2.gz VKXDATZHGKMSJI-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@]2(c3ccccc3)CC2(C)C)CC1 ZINC001508224365 1186490422 /nfs/dbraw/zinc/49/04/22/1186490422.db2.gz IEUGLGFCKIJVAH-OAQYLSRUSA-N 0 3 324.468 3.289 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001611231593 1193428023 /nfs/dbraw/zinc/42/80/23/1193428023.db2.gz RMWQKVSJOSIANA-WMZOPIPTSA-N 0 3 316.445 3.301 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1c[nH]c2ccccc12 ZINC001517065423 1186801378 /nfs/dbraw/zinc/80/13/78/1186801378.db2.gz XXFUIUVMXNSYCC-OAHLLOKOSA-N 0 3 306.369 3.193 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(OC(C)C)c1 ZINC001520035326 1186912257 /nfs/dbraw/zinc/91/22/57/1186912257.db2.gz BBATYVYSDKZNSW-INIZCTEOSA-N 0 3 311.385 3.109 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001526587234 1187376283 /nfs/dbraw/zinc/37/62/83/1187376283.db2.gz MHTJUYWGPBUEKJ-RWMBFGLXSA-N 0 3 317.751 3.193 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001615935731 1193531029 /nfs/dbraw/zinc/53/10/29/1193531029.db2.gz WFOCEQMXUPTLIS-CYBMUJFWSA-N 0 3 304.459 3.053 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001542679139 1188301555 /nfs/dbraw/zinc/30/15/55/1188301555.db2.gz QVAHLWAIBSOXJB-HXUWFJFHSA-N 0 3 324.468 3.303 20 30 DGEDHN C#CC(C)(C)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001617182241 1193560073 /nfs/dbraw/zinc/56/00/73/1193560073.db2.gz DNESDIKLXHASFX-ZDUSSCGKSA-N 0 3 316.228 3.077 20 30 DGEDHN C#CCN(CCCN(CC)CC(F)(F)F)Cc1ccccc1 ZINC001617792653 1193581202 /nfs/dbraw/zinc/58/12/02/1193581202.db2.gz QHIAMHPIHJTDRY-UHFFFAOYSA-N 0 3 312.379 3.396 20 30 DGEDHN Cc1cc(F)ccc1[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC001617860258 1193583666 /nfs/dbraw/zinc/58/36/66/1193583666.db2.gz NDKIPCXWZVPCRL-GOSISDBHSA-N 0 3 310.372 3.318 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001565821575 1188978981 /nfs/dbraw/zinc/97/89/81/1188978981.db2.gz MIUIIYGHRNCKHD-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001556214686 1188990237 /nfs/dbraw/zinc/99/02/37/1188990237.db2.gz YOPVNPWUSDRLSK-IAGOWNOFSA-N 0 3 316.445 3.396 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001556466681 1189002713 /nfs/dbraw/zinc/00/27/13/1189002713.db2.gz IMLKYXFBJZODSP-QZTJIDSGSA-N 0 3 318.436 3.286 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](Nc3c(C#N)cccc3C#N)C2)cc1 ZINC001559262987 1189188475 /nfs/dbraw/zinc/18/84/75/1189188475.db2.gz UQULFINOTXCKIW-LJQANCHMSA-N 0 3 316.408 3.425 20 30 DGEDHN CCC#C[C@H](C)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001559624179 1189223921 /nfs/dbraw/zinc/22/39/21/1189223921.db2.gz ZHOSWMKRIDPUNG-HNNXBMFYSA-N 0 3 308.429 3.453 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001559813647 1189245279 /nfs/dbraw/zinc/24/52/79/1189245279.db2.gz MGTOLVYYMPUFCR-INIZCTEOSA-N 0 3 321.465 3.403 20 30 DGEDHN CC(C)(C)SCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001560077840 1189276591 /nfs/dbraw/zinc/27/65/91/1189276591.db2.gz ZTXSSBRXCHLBMB-UHFFFAOYSA-N 0 3 303.475 3.212 20 30 DGEDHN CC#CC[C@H](CO)NCc1cc(-c2ccccc2)ccc1OC ZINC001560519590 1189335665 /nfs/dbraw/zinc/33/56/65/1189335665.db2.gz IWFDDNVUXHVGDW-LJQANCHMSA-N 0 3 309.409 3.226 20 30 DGEDHN C#CCC[C@@H](O)CNCc1ccc(-c2ccccc2Cl)o1 ZINC001560575678 1189343465 /nfs/dbraw/zinc/34/34/65/1189343465.db2.gz MQHFVMAKOVTHRF-CYBMUJFWSA-N 0 3 303.789 3.464 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CC(N)=O)c1ccc(Cl)cc1 ZINC001560741676 1189373069 /nfs/dbraw/zinc/37/30/69/1189373069.db2.gz GSPKRCZOUDWOGC-SMDDNHRTSA-N 0 3 307.825 3.174 20 30 DGEDHN C#C[C@H](C)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001560822335 1189389415 /nfs/dbraw/zinc/38/94/15/1189389415.db2.gz DGXCCGAVEKQXTN-AWEZNQCLSA-N 0 3 314.429 3.091 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001563462386 1189515228 /nfs/dbraw/zinc/51/52/28/1189515228.db2.gz VAOQGVWASWLQFO-GOSISDBHSA-N 0 3 315.461 3.089 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC001563952959 1189542672 /nfs/dbraw/zinc/54/26/72/1189542672.db2.gz FPMUKXCSYNPNDA-UHFFFAOYSA-N 0 3 307.482 3.319 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)c1ccccc1 ZINC001565833816 1189684783 /nfs/dbraw/zinc/68/47/83/1189684783.db2.gz RFWYBCTXSRRUCN-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CCCCC1 ZINC001565836125 1189685550 /nfs/dbraw/zinc/68/55/50/1189685550.db2.gz CLGSSNLXZMNTTF-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001565848606 1189690199 /nfs/dbraw/zinc/69/01/99/1189690199.db2.gz XWDOHAQSZKIHGY-JNSHFYNHSA-N 0 3 322.399 3.161 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)(F)F)C1 ZINC001565883168 1189698704 /nfs/dbraw/zinc/69/87/04/1189698704.db2.gz APKSHMYPKBIBMA-JKSUJKDBSA-N 0 3 322.399 3.192 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001565883456 1189699116 /nfs/dbraw/zinc/69/91/16/1189699116.db2.gz LZLSTORUEBFUMN-RBUKOAKNSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)CCC)C2)CC1 ZINC001565921959 1189705404 /nfs/dbraw/zinc/70/54/04/1189705404.db2.gz LXNKRQVBVAMJEH-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001565998782 1189712232 /nfs/dbraw/zinc/71/22/32/1189712232.db2.gz DQURHVAMAHPVSA-FGTMMUONSA-N 0 3 318.436 3.285 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccccc2C)[C@H]1CC ZINC001566022256 1189717673 /nfs/dbraw/zinc/71/76/73/1189717673.db2.gz IKWGXRUGCIGDGN-ZWKOTPCHSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](F)CC2CCCCC2)[C@H]1C ZINC001566109521 1189735881 /nfs/dbraw/zinc/73/58/81/1189735881.db2.gz PSRVBYOADRHNQR-OIISXLGYSA-N 0 3 310.457 3.450 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)CC(C)C)C2 ZINC001566124637 1189741842 /nfs/dbraw/zinc/74/18/42/1189741842.db2.gz BYDZAQWFOBJHBJ-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2sccc2s1 ZINC001566465819 1189776653 /nfs/dbraw/zinc/77/66/53/1189776653.db2.gz FTJBBINPFDFYBC-UHFFFAOYSA-N 0 3 306.456 3.038 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CCCc1ccc(Cl)cc1 ZINC001566469682 1189777562 /nfs/dbraw/zinc/77/75/62/1189777562.db2.gz DKYNRGXYPYIXCE-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(-c2ccco2)s1 ZINC001566505780 1189785436 /nfs/dbraw/zinc/78/54/36/1189785436.db2.gz XJNVHQOBVMMMGM-UHFFFAOYSA-N 0 3 316.426 3.083 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCc1ccco1 ZINC001566523305 1189790282 /nfs/dbraw/zinc/79/02/82/1189790282.db2.gz CNDNBSABVZCSHH-GDBMZVCRSA-N 0 3 324.852 3.324 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CC)CCC(F)(F)F)C1 ZINC001566565628 1189802930 /nfs/dbraw/zinc/80/29/30/1189802930.db2.gz XMOUPHDSGINQSJ-UHFFFAOYSA-N 0 3 306.372 3.123 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C[C@@H]2CCCOC2)CC1 ZINC001566699139 1189864173 /nfs/dbraw/zinc/86/41/73/1189864173.db2.gz DDWLKQRXIBYSBD-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001566750339 1189890123 /nfs/dbraw/zinc/89/01/23/1189890123.db2.gz DMLUFSSXAFTXQC-KCTOORRSSA-N 0 3 316.489 3.453 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1ccc(CC)cc1 ZINC001566929678 1189958577 /nfs/dbraw/zinc/95/85/77/1189958577.db2.gz GUAMWORLHYYWPU-IBGZPJMESA-N 0 3 314.473 3.338 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001567045303 1190005681 /nfs/dbraw/zinc/00/56/81/1190005681.db2.gz BTEWMELKMCZHSS-CHWSQXEVSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001567046425 1190007278 /nfs/dbraw/zinc/00/72/78/1190007278.db2.gz VTADQFWMOWPVER-QWHCGFSZSA-N 0 3 310.388 3.161 20 30 DGEDHN CC[C@@H](CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001567071571 1190020344 /nfs/dbraw/zinc/02/03/44/1190020344.db2.gz SWCRVUFKZGALAO-KGLIPLIRSA-N 0 3 321.490 3.286 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001567081980 1190026264 /nfs/dbraw/zinc/02/62/64/1190026264.db2.gz FOJSJCQCBMYQBG-GTPINHCMSA-N 0 3 306.494 3.347 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)C1 ZINC001567162979 1190047986 /nfs/dbraw/zinc/04/79/86/1190047986.db2.gz VSBMZRIYRLFHRY-MTYQHRKZSA-N 0 3 305.249 3.289 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001567203513 1190067668 /nfs/dbraw/zinc/06/76/68/1190067668.db2.gz UOJZOZDDZDQHHB-KRWDZBQOSA-N 0 3 324.468 3.043 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN(C[C@H](F)CC)C2)CCCCC1 ZINC001567421309 1190180759 /nfs/dbraw/zinc/18/07/59/1190180759.db2.gz QTGAPWIAMKPNBA-IAGOWNOFSA-N 0 3 322.468 3.146 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC001567419121 1190180995 /nfs/dbraw/zinc/18/09/95/1190180995.db2.gz IRDCJFFDTPQUME-LXPRWKDFSA-N 0 3 318.505 3.300 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001567420998 1190181534 /nfs/dbraw/zinc/18/15/34/1190181534.db2.gz IDMSRASLZCWYHE-ICSRJNTNSA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001567434740 1190190970 /nfs/dbraw/zinc/19/09/70/1190190970.db2.gz MYSDYJVKDOIXAA-IRXDYDNUSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc2cccnc21)C1CC1 ZINC001567443919 1190196353 /nfs/dbraw/zinc/19/63/53/1190196353.db2.gz BJICKZJZCXMTQL-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2c(C)nsc2C)CC1 ZINC001567555895 1190218229 /nfs/dbraw/zinc/21/82/29/1190218229.db2.gz HRTZMGWEEIILSO-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccoc1CC)c1ccccc1 ZINC001567657205 1190239731 /nfs/dbraw/zinc/23/97/31/1190239731.db2.gz IRSFHTXCZDVVGV-KRWDZBQOSA-N 0 3 312.413 3.479 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc2occc2[nH]1)c1ccccc1 ZINC001567660052 1190240605 /nfs/dbraw/zinc/24/06/05/1190240605.db2.gz SDJDNJZCFHEYMK-KRWDZBQOSA-N 0 3 323.396 3.398 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001567666102 1190243440 /nfs/dbraw/zinc/24/34/40/1190243440.db2.gz RYHZOPUWXLHXPV-LPHOPBHVSA-N 0 3 308.425 3.423 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(C)CC(F)(F)C1)c1ccccc1 ZINC001567664944 1190243501 /nfs/dbraw/zinc/24/35/01/1190243501.db2.gz YEVSLQVCAVWVOL-OAHLLOKOSA-N 0 3 322.399 3.445 20 30 DGEDHN CCCN(C(=O)C#CC(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001567683463 1190251068 /nfs/dbraw/zinc/25/10/68/1190251068.db2.gz WVWSTTYQJLXGMC-LJQANCHMSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CCCCCCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001567749544 1190287027 /nfs/dbraw/zinc/28/70/27/1190287027.db2.gz HBCVJUCKVUYOFP-XYOKQWHBSA-N 0 3 324.896 3.493 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001567776104 1190296499 /nfs/dbraw/zinc/29/64/99/1190296499.db2.gz NCUCQEBJFCTWIU-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)n1C ZINC001567850378 1190321358 /nfs/dbraw/zinc/32/13/58/1190321358.db2.gz GDEYLZMLODPMFI-IRXDYDNUSA-N 0 3 317.477 3.203 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)SC ZINC001567854606 1190323369 /nfs/dbraw/zinc/32/33/69/1190323369.db2.gz INGHGSFFAIDPKF-PMPSAXMXSA-N 0 3 312.523 3.384 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)CC(C)C)cc1 ZINC001567860212 1190324821 /nfs/dbraw/zinc/32/48/21/1190324821.db2.gz CAWGOTAKKZMADQ-UXPWSPDFSA-N 0 3 324.468 3.249 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001567928343 1190359236 /nfs/dbraw/zinc/35/92/36/1190359236.db2.gz HAMVSPIZZJVKCB-ZWKOTPCHSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001567936278 1190362111 /nfs/dbraw/zinc/36/21/11/1190362111.db2.gz PVGFCNDKTAVPKN-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1scnc1C ZINC001567977589 1190384272 /nfs/dbraw/zinc/38/42/72/1190384272.db2.gz ACEGVWCVYJIKQO-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1 ZINC001568002897 1190393801 /nfs/dbraw/zinc/39/38/01/1190393801.db2.gz WGZICZYYKQTIDR-ZNMIVQPWSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cccn2C)CCCC[C@H]1C ZINC001568036060 1190405928 /nfs/dbraw/zinc/40/59/28/1190405928.db2.gz OSCWJTRBQYGRNP-DYVFJYSZSA-N 0 3 323.868 3.046 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CCC(F)F)CCCC[C@H]1C ZINC001568039975 1190407202 /nfs/dbraw/zinc/40/72/02/1190407202.db2.gz IGAOMEORBQZEGZ-ABAIWWIYSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C1CCC(C(=O)N[C@@]2(CNCCF)CCCC[C@H]2C)CC1 ZINC001568039707 1190407300 /nfs/dbraw/zinc/40/73/00/1190407300.db2.gz GDEIHWSHLKUPRW-CRAIPNDOSA-N 0 3 310.457 3.357 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC001568259525 1190465919 /nfs/dbraw/zinc/46/59/19/1190465919.db2.gz JUQYWAGLANQKLJ-MLGOLLRUSA-N 0 3 322.399 3.355 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC001568325352 1190490788 /nfs/dbraw/zinc/49/07/88/1190490788.db2.gz HMEVCXCIEYQSTD-LJQANCHMSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CC1CCCCC1)C(C)C ZINC001568441873 1190522573 /nfs/dbraw/zinc/52/25/73/1190522573.db2.gz KKUGUVISOZYJPG-OAHLLOKOSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC[C@H](C)CC1)C(C)C ZINC001568466709 1190531272 /nfs/dbraw/zinc/53/12/72/1190531272.db2.gz FFGMOOWJPNFGSO-QEJZJMRPSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)CCOc1ccccc1 ZINC001568491415 1190543132 /nfs/dbraw/zinc/54/31/32/1190543132.db2.gz LMCHRXAXPOETES-UHFFFAOYSA-N 0 3 318.461 3.058 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)C[C@H](OC)C1CCCC1 ZINC001568491176 1190544137 /nfs/dbraw/zinc/54/41/37/1190544137.db2.gz FVTUSLTYLVTDGN-KRWDZBQOSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001568496136 1190547229 /nfs/dbraw/zinc/54/72/29/1190547229.db2.gz JXGXUPCXXPSMHZ-IBGZPJMESA-N 0 3 316.489 3.468 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC001568500298 1190550692 /nfs/dbraw/zinc/55/06/92/1190550692.db2.gz IUVWQBQCFORKBK-UHFFFAOYSA-N 0 3 316.445 3.153 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C2=CCCC2)cc1 ZINC001568508368 1190555587 /nfs/dbraw/zinc/55/55/87/1190555587.db2.gz KZLAOSLPADIZND-UHFFFAOYSA-N 0 3 310.441 3.281 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccccc1SCC ZINC001568554100 1190564506 /nfs/dbraw/zinc/56/45/06/1190564506.db2.gz IPNNLDXHINYXEE-UHFFFAOYSA-N 0 3 320.502 3.307 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001568554064 1190564596 /nfs/dbraw/zinc/56/45/96/1190564596.db2.gz HOWPTXQQNIOZTF-FQEVSTJZSA-N 0 3 314.473 3.321 20 30 DGEDHN C#CCNCCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001568784599 1190588699 /nfs/dbraw/zinc/58/86/99/1190588699.db2.gz CPZVYPPMTRXLJE-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001568857843 1190595390 /nfs/dbraw/zinc/59/53/90/1190595390.db2.gz ZNUYJJTXRKNHNF-SNAWJCMRSA-N 0 3 304.409 3.252 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1cc2cc(C)ccc2s1 ZINC001568944100 1190601724 /nfs/dbraw/zinc/60/17/24/1190601724.db2.gz YCAAHZBSQLPTMZ-AATRIKPKSA-N 0 3 312.438 3.109 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2ccnc(Cl)c2)CC1 ZINC001569016319 1190608656 /nfs/dbraw/zinc/60/86/56/1190608656.db2.gz VCWAKXNGWMQJCE-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001569098067 1190621084 /nfs/dbraw/zinc/62/10/84/1190621084.db2.gz CLTGAHVWBVGKPQ-KZMHERFSSA-N 0 3 306.837 3.193 20 30 DGEDHN Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001569115699 1190628202 /nfs/dbraw/zinc/62/82/02/1190628202.db2.gz OIGODSFITKEHLO-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001569118814 1190629142 /nfs/dbraw/zinc/62/91/42/1190629142.db2.gz HMQXTIDPZODCGK-HNNXBMFYSA-N 0 3 306.425 3.449 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1CC ZINC001569133676 1190635225 /nfs/dbraw/zinc/63/52/25/1190635225.db2.gz VDBJCXLTKJPQRO-OAHLLOKOSA-N 0 3 302.462 3.398 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1nc(C(C)(C)C)cs1 ZINC001569188503 1190651228 /nfs/dbraw/zinc/65/12/28/1190651228.db2.gz SDPXYWLOYNDCGV-UHFFFAOYSA-N 0 3 323.506 3.345 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001569247295 1190657115 /nfs/dbraw/zinc/65/71/15/1190657115.db2.gz KQHLXHCUDFOCKT-KBPBESRZSA-N 0 3 302.890 3.495 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCCC(C)(C)C)cc1 ZINC001569367940 1190679033 /nfs/dbraw/zinc/67/90/33/1190679033.db2.gz QYTMMPGUSYEJCB-SFHVURJKSA-N 0 3 312.457 3.298 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001569370753 1190679923 /nfs/dbraw/zinc/67/99/23/1190679923.db2.gz PRFLIRGSBYIYPJ-KRWDZBQOSA-N 0 3 300.446 3.350 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001569373512 1190682069 /nfs/dbraw/zinc/68/20/69/1190682069.db2.gz ODXGWVDFNUJJLA-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001569379819 1190685472 /nfs/dbraw/zinc/68/54/72/1190685472.db2.gz JBLQXRGXOCPDGC-GOSISDBHSA-N 0 3 314.473 3.293 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H]1CCN1CCCCC)c1ccccc1 ZINC001569383624 1190687967 /nfs/dbraw/zinc/68/79/67/1190687967.db2.gz UNPPFXQNFNFZNJ-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCC[C@H](C)CC)C2)C1 ZINC001569474959 1190705234 /nfs/dbraw/zinc/70/52/34/1190705234.db2.gz PTBBRLCEIXHRTK-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001569481174 1190706291 /nfs/dbraw/zinc/70/62/91/1190706291.db2.gz PNFGHJLBJMQFBH-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2oc(C)nc2C)C[C@@H]1C ZINC001569517040 1190712284 /nfs/dbraw/zinc/71/22/84/1190712284.db2.gz NTYKTJPITAPJFW-XJKSGUPXSA-N 0 3 319.449 3.117 20 30 DGEDHN C=CCCC(=O)NC1(C)CCN(Cc2ccc(C)nc2C)CC1 ZINC001569569059 1190717885 /nfs/dbraw/zinc/71/78/85/1190717885.db2.gz ABALOZGWZNQMQD-UHFFFAOYSA-N 0 3 315.461 3.135 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CC2(c3ccccc3)CC2)CC1 ZINC001569573267 1190718657 /nfs/dbraw/zinc/71/86/57/1190718657.db2.gz MJMBPALFXZSXPP-UHFFFAOYSA-N 0 3 312.457 3.265 20 30 DGEDHN C#CCN(C(=O)CC(C)(C)C=C)C1CCN(CC=C(C)C)CC1 ZINC001569589720 1190720306 /nfs/dbraw/zinc/72/03/06/1190720306.db2.gz XCKMKKDYTKPSFR-UHFFFAOYSA-N 0 3 316.489 3.481 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(F)=C2CCCC2)C1 ZINC001569713647 1190746161 /nfs/dbraw/zinc/74/61/61/1190746161.db2.gz UXACNYXJRLSSEX-SFHVURJKSA-N 0 3 306.425 3.026 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001569715021 1190747311 /nfs/dbraw/zinc/74/73/11/1190747311.db2.gz BMPPADZRCOORBY-IBGZPJMESA-N 0 3 316.445 3.060 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)c(F)c2F)C1 ZINC001569722637 1190749833 /nfs/dbraw/zinc/74/98/33/1190749833.db2.gz MHYUAJKQEZWLOM-SFHVURJKSA-N 0 3 322.399 3.291 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(OCC)c2)C1 ZINC001569722439 1190749844 /nfs/dbraw/zinc/74/98/44/1190749844.db2.gz KCPHOHGWSMDRIK-LJQANCHMSA-N 0 3 316.445 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001569999618 1190780165 /nfs/dbraw/zinc/78/01/65/1190780165.db2.gz BWKNXAYLZZBPIV-OAHLLOKOSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001570028194 1190783625 /nfs/dbraw/zinc/78/36/25/1190783625.db2.gz MVEROTAPLZXXCK-HXUWFJFHSA-N 0 3 320.436 3.261 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CCCC3CC3)cccc2C1 ZINC001570078336 1190791046 /nfs/dbraw/zinc/79/10/46/1190791046.db2.gz UFENMQSQHMUJDO-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccnc(Cl)c2)CCC1 ZINC001570113518 1190797991 /nfs/dbraw/zinc/79/79/91/1190797991.db2.gz XLAAXDPWQMJCIZ-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001570186842 1190811552 /nfs/dbraw/zinc/81/15/52/1190811552.db2.gz CAHNDWMLBZQMNS-PMACEKPBSA-N 0 3 324.468 3.340 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](CC)C(C)C)C2 ZINC001570274507 1190835685 /nfs/dbraw/zinc/83/56/85/1190835685.db2.gz DYUBNNLROVQQGI-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CCC(C)C)C2 ZINC001570310505 1190837480 /nfs/dbraw/zinc/83/74/80/1190837480.db2.gz BUBRMNIFHANNFE-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccccc2Cl)[C@@H](C)C1 ZINC001570335095 1190839886 /nfs/dbraw/zinc/83/98/86/1190839886.db2.gz UEUDELAMEQWZSX-BBRMVZONSA-N 0 3 306.837 3.243 20 30 DGEDHN C=CCCC(=O)N1CCC(C)(NC/C(Cl)=C\Cl)CC1 ZINC001570369342 1190845372 /nfs/dbraw/zinc/84/53/72/1190845372.db2.gz PAVOKLFHEVZTNI-ZRDIBKRKSA-N 0 3 305.249 3.242 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001570395785 1190852625 /nfs/dbraw/zinc/85/26/25/1190852625.db2.gz QIFYXZQSKARTJU-NVXWUHKLSA-N 0 3 306.494 3.299 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccsc1 ZINC001570435374 1190857316 /nfs/dbraw/zinc/85/73/16/1190857316.db2.gz WHTISYRNPLTPGL-GOEBONIOSA-N 0 3 318.486 3.267 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C/Cc2ccccc2)C[C@H]1C ZINC001570436745 1190858439 /nfs/dbraw/zinc/85/84/39/1190858439.db2.gz DJKNOGKPFYJLRQ-ZZHWGSSASA-N 0 3 324.468 3.168 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(CC(C)C)CCC2)C[C@H]1C ZINC001570436627 1190858798 /nfs/dbraw/zinc/85/87/98/1190858798.db2.gz CGEOLCAHERKZJE-IAGOWNOFSA-N 0 3 304.478 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2ccsc2)C[C@H]1C ZINC001570436657 1190858838 /nfs/dbraw/zinc/85/88/38/1190858838.db2.gz CLOKYIRAIVTKLK-WBVHZDCISA-N 0 3 318.486 3.063 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C[C@H]1C ZINC001570445448 1190860740 /nfs/dbraw/zinc/86/07/40/1190860740.db2.gz LXXJNQZIPYKRQS-OFCQAKPVSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CCC1CC1 ZINC001570476507 1190866245 /nfs/dbraw/zinc/86/62/45/1190866245.db2.gz DMGCVTLBIFXKHP-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001570476756 1190866492 /nfs/dbraw/zinc/86/64/92/1190866492.db2.gz KKKFHDKGFRODDX-IBGZPJMESA-N 0 3 323.440 3.310 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H](C)CC ZINC001570476440 1190866799 /nfs/dbraw/zinc/86/67/99/1190866799.db2.gz CICOZTUXKRILGP-CRAIPNDOSA-N 0 3 300.446 3.324 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570591547 1190895728 /nfs/dbraw/zinc/89/57/28/1190895728.db2.gz ZUBGPZNQKZLFBX-NEPJUHHUSA-N 0 3 307.463 3.039 20 30 DGEDHN Cc1cccc(C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)c1 ZINC001570695159 1190920001 /nfs/dbraw/zinc/92/00/01/1190920001.db2.gz HQXOVFKIEJFLBR-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@H](C)c1cccc(OC)c1 ZINC001570700849 1190922074 /nfs/dbraw/zinc/92/20/74/1190922074.db2.gz XNRULDBDVRSJEC-HUUCEWRRSA-N 0 3 304.434 3.159 20 30 DGEDHN Cc1cc(Cl)ccc1CN(C)[C@@H](C)CNC(=O)C#CC(C)C ZINC001570708806 1190925008 /nfs/dbraw/zinc/92/50/08/1190925008.db2.gz KJEFRVITYRFBAI-HNNXBMFYSA-N 0 3 320.864 3.244 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001570710481 1190925640 /nfs/dbraw/zinc/92/56/40/1190925640.db2.gz IRUGFEASLLGYKH-HUUCEWRRSA-N 0 3 320.864 3.497 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CN(CC2=CCCCC2)CC1(C)C ZINC001570896259 1190971666 /nfs/dbraw/zinc/97/16/66/1190971666.db2.gz ZWDQWRLTDACKMG-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC(CC)CC)C[C@]2(C)C1 ZINC001571063481 1190981552 /nfs/dbraw/zinc/98/15/52/1190981552.db2.gz BPGIDMIIFBMIJZ-KDURUIRLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC001571132496 1190983604 /nfs/dbraw/zinc/98/36/04/1190983604.db2.gz ROWHXTNGMPSOBU-KLHDSHLOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1csc(Cl)n1 ZINC001571320516 1190991466 /nfs/dbraw/zinc/99/14/66/1190991466.db2.gz ATUQJTWBHUTFDP-SECBINFHSA-N 0 3 322.261 3.037 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(CC)cc1 ZINC001571323284 1190991894 /nfs/dbraw/zinc/99/18/94/1190991894.db2.gz HONORCRXKATOBC-AWEZNQCLSA-N 0 3 308.853 3.490 20 30 DGEDHN C=C(Br)CNC[C@@H](NC(=O)CC(C)C)C(C)(C)C ZINC001571618377 1191064504 /nfs/dbraw/zinc/06/45/04/1191064504.db2.gz WDBNOXPOCSEMEF-GFCCVEGCSA-N 0 3 319.287 3.062 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001571451193 1191022526 /nfs/dbraw/zinc/02/25/26/1191022526.db2.gz QVLXUAIYQDHHOB-VQIMIIECSA-N 0 3 312.457 3.053 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)[C@H]1C ZINC001571455212 1191023028 /nfs/dbraw/zinc/02/30/28/1191023028.db2.gz JKAHEZSNWDWWEQ-CRAIPNDOSA-N 0 3 324.424 3.171 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CC)CC3CCCC3)CCC[C@H]12 ZINC001571503075 1191033637 /nfs/dbraw/zinc/03/36/37/1191033637.db2.gz MKYZYBIAFKWARR-WSTZPKSXSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2ncc(C)s2)C1 ZINC001571542302 1191047669 /nfs/dbraw/zinc/04/76/69/1191047669.db2.gz MRMQYMMJENZMQI-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(F)c(F)c1F)C(C)C ZINC001571614453 1191061670 /nfs/dbraw/zinc/06/16/70/1191061670.db2.gz IDXOZLCEEJAASG-UHFFFAOYSA-N 0 3 314.351 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cnc(C)s1)C(C)(C)C ZINC001571629869 1191068545 /nfs/dbraw/zinc/06/85/45/1191068545.db2.gz UYHYTYWSESOXNT-AWEZNQCLSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CCN(Cc2scnc2C)CC1 ZINC001571647925 1191074370 /nfs/dbraw/zinc/07/43/70/1191074370.db2.gz XSHDMVLVGTYJPS-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C(C2CCC2)C2CCC2)CC1 ZINC001571649877 1191075014 /nfs/dbraw/zinc/07/50/14/1191075014.db2.gz VOOHSVAAJWVFAG-HNNXBMFYSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](CC=C)c2ccccc2)CC1 ZINC001571651489 1191075588 /nfs/dbraw/zinc/07/55/88/1191075588.db2.gz WDDCVJWXKVSVDS-FXAWDEMLSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCCCCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001571655978 1191076948 /nfs/dbraw/zinc/07/69/48/1191076948.db2.gz FAUOYYVXLYIQCK-UHFFFAOYSA-N 0 3 316.420 3.098 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC001571703270 1191086239 /nfs/dbraw/zinc/08/62/39/1191086239.db2.gz ZXTYMXBKHHBPMI-UXLLHSPISA-N 0 3 316.420 3.154 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc2c1CNC2 ZINC001574890451 1191456155 /nfs/dbraw/zinc/45/61/55/1191456155.db2.gz VOIFFCWVZAUJSX-KRWDZBQOSA-N 0 3 306.409 3.207 20 30 DGEDHN C=CCOc1ccc(CC(=O)Nc2cccc3c2CNC3)cc1 ZINC001574943557 1191458705 /nfs/dbraw/zinc/45/87/05/1191458705.db2.gz LCPXIOMJWQYBMJ-UHFFFAOYSA-N 0 3 308.381 3.036 20 30 DGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@]12C[C@H]1CCCN2 ZINC001575051433 1191464493 /nfs/dbraw/zinc/46/44/93/1191464493.db2.gz MAZBOOSYAPQTSS-AHIWAGSCSA-N 0 3 315.442 3.019 20 30 DGEDHN CN(C[C@@H]1CC1(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001620455689 1193770160 /nfs/dbraw/zinc/77/01/60/1193770160.db2.gz XKAJEDCTKNQLBB-RDJZCZTQSA-N 0 3 311.429 3.032 20 30 DGEDHN CN(C[C@H]1CC1(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001620455690 1193770223 /nfs/dbraw/zinc/77/02/23/1193770223.db2.gz XKAJEDCTKNQLBB-WBVHZDCISA-N 0 3 311.429 3.032 20 30 DGEDHN COc1cc(F)cc(CNCc2ccc(OCC#N)cc2)c1 ZINC001649199078 1194005480 /nfs/dbraw/zinc/00/54/80/1194005480.db2.gz KIVVYSJDWSWYNA-UHFFFAOYSA-N 0 3 300.333 3.026 20 30 DGEDHN C[C@H]1[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)CCN1C ZINC001625091796 1194031980 /nfs/dbraw/zinc/03/19/80/1194031980.db2.gz NIAGDUUQFIIKEL-GXFFZTMASA-N 0 3 320.462 3.131 20 30 DGEDHN C#CCN(C(=O)/C=C/C1CCCCCC1)C1CCN(C)CC1 ZINC001626637039 1194086794 /nfs/dbraw/zinc/08/67/94/1194086794.db2.gz DWKYURATOPFYPE-ZHACJKMWSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](c1ccccc1)C(C)C ZINC001634640706 1194506000 /nfs/dbraw/zinc/50/60/00/1194506000.db2.gz LWKXUTKKNOVGQV-GOSISDBHSA-N 0 3 302.462 3.393 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1ccccc1OC ZINC001634640565 1194506180 /nfs/dbraw/zinc/50/61/80/1194506180.db2.gz HWURUUSLAQXYCB-FOCLMDBBSA-N 0 3 316.445 3.065 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](c1ccccc1)C(C)C ZINC001634640708 1194506301 /nfs/dbraw/zinc/50/63/01/1194506301.db2.gz LWKXUTKKNOVGQV-SFHVURJKSA-N 0 3 302.462 3.393 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001635334584 1194545242 /nfs/dbraw/zinc/54/52/42/1194545242.db2.gz PHNFGIASRCXROQ-KRWDZBQOSA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1c(C)cccc1Cl ZINC001635757807 1194570740 /nfs/dbraw/zinc/57/07/40/1194570740.db2.gz MIRPJNBUCCEKKC-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=CC(C)(C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001637101698 1194650018 /nfs/dbraw/zinc/65/00/18/1194650018.db2.gz RTUZWNAWNFUXJA-INIZCTEOSA-N 0 3 314.473 3.410 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc2cccc(Cl)c2s1 ZINC001637962548 1194695233 /nfs/dbraw/zinc/69/52/33/1194695233.db2.gz DCHLKXAJSUTQJJ-UHFFFAOYSA-N 0 3 320.845 3.240 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](C)CC1 ZINC001641637617 1194864270 /nfs/dbraw/zinc/86/42/70/1194864270.db2.gz SHQIZLUMHGVNAV-FXQQTDPRSA-N 0 3 319.493 3.428 20 30 DGEDHN C=CCCCCN1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC001641989248 1194882264 /nfs/dbraw/zinc/88/22/64/1194882264.db2.gz 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/nfs/dbraw/zinc/15/08/42/1195150842.db2.gz FLNWXPDAAYNABU-HNNXBMFYSA-N 0 3 315.335 3.361 20 30 DGEDHN CN1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C(C)(C)C ZINC001646537215 1195232937 /nfs/dbraw/zinc/23/29/37/1195232937.db2.gz VQCLGTUBUPRXGW-QGZVFWFLSA-N 0 3 304.865 3.354 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2csc(C)n2)C[C@H]1C ZINC001671230686 1195238563 /nfs/dbraw/zinc/23/85/63/1195238563.db2.gz HDXNQPKVVLGCRR-HIFRSBDPSA-N 0 3 321.490 3.277 20 30 DGEDHN CC(C)(CCC#N)CNCc1nc(Br)cs1 ZINC001647044385 1195243374 /nfs/dbraw/zinc/24/33/74/1195243374.db2.gz IJRKZJWEFLBNRQ-UHFFFAOYSA-N 0 3 302.241 3.325 20 30 DGEDHN C=CCN(CC(=O)NCc1cc(Cl)ccc1OC)C(C)(C)C ZINC001647787921 1195253306 /nfs/dbraw/zinc/25/33/06/1195253306.db2.gz QBYIGGPPEOOLJV-UHFFFAOYSA-N 0 3 324.852 3.251 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C2CCCCC2)C1 ZINC001647854612 1195259550 /nfs/dbraw/zinc/25/95/50/1195259550.db2.gz OOGNAPBPEVABIW-AEFFLSMTSA-N 0 3 319.493 3.287 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC(CN=S(C)(C)=O)CC1 ZINC001648374885 1195296044 /nfs/dbraw/zinc/29/60/44/1195296044.db2.gz WGEBCQZVPGFVEP-UHFFFAOYSA-N 0 3 313.511 3.146 20 30 DGEDHN Cc1ccc([C@H](CNc2cc(C)c(C#N)cn2)N2CCCC2)o1 ZINC001651468047 1195466868 /nfs/dbraw/zinc/46/68/68/1195466868.db2.gz YFTOLZAWENSVFH-INIZCTEOSA-N 0 3 310.401 3.412 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001652167815 1195556096 /nfs/dbraw/zinc/55/60/96/1195556096.db2.gz PZOVYVJGMPUJJW-ZIAGYGMSSA-N 0 3 309.454 3.161 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCSC[C@@H]2c2ccccc2)c1 ZINC001652515858 1195610473 /nfs/dbraw/zinc/61/04/73/1195610473.db2.gz QFBPLCWZABKNOO-RTBURBONSA-N 0 3 324.449 3.382 20 30 DGEDHN N#Cc1cccc([C@H](O)CN(CCC(F)(F)F)CC2CC2)c1 ZINC001652649965 1195631773 /nfs/dbraw/zinc/63/17/73/1195631773.db2.gz PRZKGAFIIVIOBB-OAHLLOKOSA-N 0 3 312.335 3.256 20 30 DGEDHN N#Cc1ccc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(F)c1 ZINC001653098074 1195687459 /nfs/dbraw/zinc/68/74/59/1195687459.db2.gz SQYFXUPPCKOCQG-AZUAARDMSA-N 0 3 322.383 3.097 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN([C@H](CC)c2ccccc2)CC1 ZINC001653461413 1195725637 /nfs/dbraw/zinc/72/56/37/1195725637.db2.gz KXTLUGYNSLPBNR-RTBURBONSA-N 0 3 302.462 3.082 20 30 DGEDHN CCN1[C@H](C)CN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC001654072315 1195772334 /nfs/dbraw/zinc/77/23/34/1195772334.db2.gz RQLIYXVTPXGFDI-BETUJISGSA-N 0 3 323.387 3.074 20 30 DGEDHN C=CCN(CCc1cccc2c1OC(F)(F)O2)[C@H](C)COC ZINC001654211614 1195783837 /nfs/dbraw/zinc/78/38/37/1195783837.db2.gz SMOIRJKXCKYHMU-GFCCVEGCSA-N 0 3 313.344 3.074 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC001654508992 1195811121 /nfs/dbraw/zinc/81/11/21/1195811121.db2.gz ZQRQFGSCYXCBPN-OFGIBPIPSA-N 0 3 316.489 3.053 20 30 DGEDHN CCc1ccc2c(c1)CN(C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC001655153478 1195883432 /nfs/dbraw/zinc/88/34/32/1195883432.db2.gz WCPWNJANSFPUKJ-FQEVSTJZSA-N 0 3 306.409 3.212 20 30 DGEDHN O[C@H](c1ccccc1)[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC001655275071 1195897939 /nfs/dbraw/zinc/89/79/39/1195897939.db2.gz JRGFBPPWUGBKPM-VQTJNVASSA-N 0 3 309.384 3.375 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN(C)C3(CCCCC3)C2)c1C#N ZINC001655493947 1195923941 /nfs/dbraw/zinc/92/39/41/1195923941.db2.gz XAAIRUNOEQSRQM-UHFFFAOYSA-N 0 3 318.852 3.370 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001656081099 1195996030 /nfs/dbraw/zinc/99/60/30/1195996030.db2.gz UQMVCHXPAFDYRY-GDBMZVCRSA-N 0 3 316.445 3.269 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001656188067 1196015417 /nfs/dbraw/zinc/01/54/17/1196015417.db2.gz OCAOHVOKZHXOPQ-NNUKFRKNSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@H]1C)CCN(C/C=C\Cl)CC2 ZINC001656393621 1196035746 /nfs/dbraw/zinc/03/57/46/1196035746.db2.gz JMSXFOQNVABOFD-HMZQOCAUSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C#CC(C)C ZINC001656434671 1196039922 /nfs/dbraw/zinc/03/99/22/1196039922.db2.gz OGSFOUJKCIJILS-HOCLYGCPSA-N 0 3 310.869 3.005 20 30 DGEDHN N#CCc1ccc(CNCc2cc3ccc(F)cc3[nH]c2=O)cc1 ZINC001656522816 1196046628 /nfs/dbraw/zinc/04/66/28/1196046628.db2.gz YKUOREBTXUADKG-UHFFFAOYSA-N 0 3 321.355 3.435 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001657076231 1196101164 /nfs/dbraw/zinc/10/11/64/1196101164.db2.gz SXEWROFQLAXHDD-OTWHNJEPSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](OC)C1CCCCC1 ZINC001657082681 1196102369 /nfs/dbraw/zinc/10/23/69/1196102369.db2.gz HZFZVJRFVFQWHN-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnc(C(C)C)s1 ZINC001657082901 1196102821 /nfs/dbraw/zinc/10/28/21/1196102821.db2.gz OPCRBDMFJGAOGU-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(S(C)(=O)=O)ccc2F)C1 ZINC001657234775 1196121706 /nfs/dbraw/zinc/12/17/06/1196121706.db2.gz HNENZHDVLPNUTK-TZMCWYRMSA-N 0 3 311.422 3.064 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC001657324875 1196130275 /nfs/dbraw/zinc/13/02/75/1196130275.db2.gz WGVVVSGXJBHXRZ-ZWKOTPCHSA-N 0 3 315.486 3.484 20 30 DGEDHN CCC#C[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001657419599 1196139159 /nfs/dbraw/zinc/13/91/59/1196139159.db2.gz LPLOYVNVPKYQLA-AWEZNQCLSA-N 0 3 302.374 3.240 20 30 DGEDHN N#Cc1cc(CNCCc2nnc(-c3ccccc3)o2)cs1 ZINC001657606024 1196159645 /nfs/dbraw/zinc/15/96/45/1196159645.db2.gz CTHAORMUFGRUPX-UHFFFAOYSA-N 0 3 310.382 3.002 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC1(O)CCC(C)CC1 ZINC001658362616 1196247122 /nfs/dbraw/zinc/24/71/22/1196247122.db2.gz HXIITNNLBWCJTQ-UHFFFAOYSA-N 0 3 321.848 3.383 20 30 DGEDHN CNc1ccc(C)cc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC001658507176 1196267706 /nfs/dbraw/zinc/26/77/06/1196267706.db2.gz WKYKPGRIERCASP-IBGZPJMESA-N 0 3 309.413 3.074 20 30 DGEDHN C=CCSCCNCc1sc(N2CCCC2)nc1Cl ZINC001658799448 1196303017 /nfs/dbraw/zinc/30/30/17/1196303017.db2.gz BFPKYFQCWLCDFY-UHFFFAOYSA-N 0 3 317.911 3.406 20 30 DGEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CCOCC2)cc1 ZINC001659082174 1196341802 /nfs/dbraw/zinc/34/18/02/1196341802.db2.gz RKLKYGKFEYKLLQ-HUUCEWRRSA-N 0 3 302.418 3.097 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC001659142122 1196350436 /nfs/dbraw/zinc/35/04/36/1196350436.db2.gz BHPNQZJOFTXCMI-ADKAHSJRSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](C)Cc2ccccc2C)C1 ZINC001659352302 1196374760 /nfs/dbraw/zinc/37/47/60/1196374760.db2.gz JVEQOZSIRMJXDF-MSOLQXFVSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN(Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC1 ZINC001659830677 1196419197 /nfs/dbraw/zinc/41/91/97/1196419197.db2.gz CTASLMKFKIKHGG-UHFFFAOYSA-N 0 3 314.429 3.309 20 30 DGEDHN C#CCC1(N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1 ZINC001660284073 1196466505 /nfs/dbraw/zinc/46/65/05/1196466505.db2.gz QDOZFJZQEOLDKO-AWEZNQCLSA-N 0 3 320.795 3.120 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001660412398 1196480617 /nfs/dbraw/zinc/48/06/17/1196480617.db2.gz DAUFDJUYIXUEBG-WBVHZDCISA-N 0 3 314.429 3.026 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001660448140 1196485247 /nfs/dbraw/zinc/48/52/47/1196485247.db2.gz VYSNNWUITDFCOJ-KGLIPLIRSA-N 0 3 316.848 3.380 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2cnc(C)s2)C1 ZINC001660586890 1196499888 /nfs/dbraw/zinc/49/98/88/1196499888.db2.gz YMHGOJBDRUQFCH-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2cc(C)cc(C)c2)CC1 ZINC001660791682 1196525098 /nfs/dbraw/zinc/52/50/98/1196525098.db2.gz RVDVLDMNESPZIM-UHFFFAOYSA-N 0 3 314.473 3.345 20 30 DGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCCC23OCCO3)cc1 ZINC001660891505 1196538808 /nfs/dbraw/zinc/53/88/08/1196538808.db2.gz BRZRDYRTNVREFQ-QGZVFWFLSA-N 0 3 314.429 3.263 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001661024621 1196555379 /nfs/dbraw/zinc/55/53/79/1196555379.db2.gz UPWGIIOSOJNSTM-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001661066880 1196561293 /nfs/dbraw/zinc/56/12/93/1196561293.db2.gz QXSFQJPUPPXNPX-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C2CCC(OC)CC2)CC1 ZINC001661095172 1196566093 /nfs/dbraw/zinc/56/60/93/1196566093.db2.gz YMWUQJUUGFETTJ-UHFFFAOYSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001661268119 1196590488 /nfs/dbraw/zinc/59/04/88/1196590488.db2.gz XQUXQWFBHUZANE-NXOAAHMSSA-N 0 3 302.462 3.207 20 30 DGEDHN O=C(CC1CCCCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001661565823 1196620189 /nfs/dbraw/zinc/62/01/89/1196620189.db2.gz PUCVXSIZAFOFIR-BGYRXZFFSA-N 0 3 324.468 3.245 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001661742353 1196638993 /nfs/dbraw/zinc/63/89/93/1196638993.db2.gz BQFXRNLFTDHZPZ-MSOLQXFVSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001661977411 1196668653 /nfs/dbraw/zinc/66/86/53/1196668653.db2.gz LMBIHSCNUICPPC-SJORKVTESA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001662771860 1196749083 /nfs/dbraw/zinc/74/90/83/1196749083.db2.gz APWYREDSIHAEEF-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCCc2ccsc2)C1 ZINC001662847079 1196760486 /nfs/dbraw/zinc/76/04/86/1196760486.db2.gz ZTNPJKWDKLELOL-QGZVFWFLSA-N 0 3 318.486 3.017 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001662851273 1196762019 /nfs/dbraw/zinc/76/20/19/1196762019.db2.gz QMNWVWMZOXOPCH-VQTJNVASSA-N 0 3 324.468 3.126 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@H](N(C)CC#CC)C1)c1ccccc1 ZINC001662878870 1196767031 /nfs/dbraw/zinc/76/70/31/1196767031.db2.gz XHFYURLYZPENIV-PMACEKPBSA-N 0 3 324.468 3.292 20 30 DGEDHN C[C@@H](CCNC(=O)CC(C)(C)C)NCc1cc(C#N)ccc1F ZINC001662893446 1196769206 /nfs/dbraw/zinc/76/92/06/1196769206.db2.gz OJBDBYAQVRUKDR-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cccc(C2CC2)c1 ZINC001662954258 1196775726 /nfs/dbraw/zinc/77/57/26/1196775726.db2.gz LZNLHNPVTLSIQI-AWEZNQCLSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(C(F)F)CCCC1 ZINC001662965945 1196778157 /nfs/dbraw/zinc/77/81/57/1196778157.db2.gz PUPYWKMNHHJUCJ-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)Cc2cccc(C)c2)CCC1 ZINC001663271818 1196823522 /nfs/dbraw/zinc/82/35/22/1196823522.db2.gz HXQOEOLDSQVKMK-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc(CF)cc1 ZINC001663410949 1196861583 /nfs/dbraw/zinc/86/15/83/1196861583.db2.gz DSACDCOSCNITNZ-UHFFFAOYSA-N 0 3 306.425 3.306 20 30 DGEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2ccccc2c1 ZINC001663483498 1196882547 /nfs/dbraw/zinc/88/25/47/1196882547.db2.gz YSYXSQVZDMSVSK-KXBFYZLASA-N 0 3 321.424 3.080 20 30 DGEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2ccccc2c1 ZINC001663483497 1196883698 /nfs/dbraw/zinc/88/36/98/1196883698.db2.gz YSYXSQVZDMSVSK-HNAYVOBHSA-N 0 3 321.424 3.080 20 30 DGEDHN O=C(C#CC1CC1)NC[C@H]1CCCN1Cc1ccccc1C1CC1 ZINC001663492862 1196886285 /nfs/dbraw/zinc/88/62/85/1196886285.db2.gz JCZZCTPXVKZBML-LJQANCHMSA-N 0 3 322.452 3.058 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001663513000 1196891159 /nfs/dbraw/zinc/89/11/59/1196891159.db2.gz PTXXURWOGIRAGA-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)C)Cc1cccc(Cl)c1 ZINC001663661197 1196923100 /nfs/dbraw/zinc/92/31/00/1196923100.db2.gz LLSFJAMMTHIFKN-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN Cc1cc(C2OCCO2)c(C)cc1CN1CCC(C#N)CC1 ZINC001663700074 1196930458 /nfs/dbraw/zinc/93/04/58/1196930458.db2.gz QJVBKYZSRRNXRM-UHFFFAOYSA-N 0 3 300.402 3.084 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC001663773583 1196943565 /nfs/dbraw/zinc/94/35/65/1196943565.db2.gz WHLNHUWXWIBHNY-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN CCCC1(C(=O)N(C)CCNCc2ccc(C#N)s2)CCC1 ZINC001664129643 1196973720 /nfs/dbraw/zinc/97/37/20/1196973720.db2.gz KXXCVKNGECHIJX-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN CCCc1c(N[C@@H]2CCCN(C)C2)cnn1-c1cccc(C#N)c1 ZINC001664359012 1196991816 /nfs/dbraw/zinc/99/18/16/1196991816.db2.gz JLKLJLHZRXBBGY-MRXNPFEDSA-N 0 3 323.444 3.203 20 30 DGEDHN Cc1ccc(F)c(CN(CCCNC(=O)[C@@H](C)C#N)C(C)C)c1 ZINC001664491708 1197006360 /nfs/dbraw/zinc/00/63/60/1197006360.db2.gz CNYYPFZTJNWWSY-HNNXBMFYSA-N 0 3 319.424 3.011 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1cnc(C)o1)C(C)C ZINC001664526875 1197010392 /nfs/dbraw/zinc/01/03/92/1197010392.db2.gz VNBMPJIFACFJEV-UHFFFAOYSA-N 0 3 321.465 3.302 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@H]1CCCC1(F)F)c1ccccc1 ZINC001664588115 1197017849 /nfs/dbraw/zinc/01/78/49/1197017849.db2.gz OQOLJRKMGORUCL-HZPDHXFCSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CCCC1(C)C)c1ccccc1 ZINC001664587778 1197017960 /nfs/dbraw/zinc/01/79/60/1197017960.db2.gz GZFGYDISYXSSTR-IAGOWNOFSA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)C(C)(F)F)c1ccccc1 ZINC001664592347 1197018573 /nfs/dbraw/zinc/01/85/73/1197018573.db2.gz IQPPMCQXAJHZGC-ZFWWWQNUSA-N 0 3 310.388 3.301 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1cccc(F)c1)c1ccccc1 ZINC001664598371 1197019430 /nfs/dbraw/zinc/01/94/30/1197019430.db2.gz JHAXZVCLNXNXOD-SFHVURJKSA-N 0 3 312.388 3.001 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC(C)(C)C ZINC001664616855 1197022278 /nfs/dbraw/zinc/02/22/78/1197022278.db2.gz WXYFCLKOQGIVDG-CALCHBBNSA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)CCCCC1 ZINC001664646820 1197025103 /nfs/dbraw/zinc/02/51/03/1197025103.db2.gz DTTMEHKETDGFBD-CALCHBBNSA-N 0 3 302.462 3.044 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001665405656 1197132581 /nfs/dbraw/zinc/13/25/81/1197132581.db2.gz OBIFGXBZLIPVHR-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC)c1ccccc1 ZINC001665436691 1197136591 /nfs/dbraw/zinc/13/65/91/1197136591.db2.gz XVVVBCZOHYYGGZ-FHWLQOOXSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN([C@H](C)c2cccc(C)c2)C1 ZINC001665563894 1197151414 /nfs/dbraw/zinc/15/14/14/1197151414.db2.gz VLIKAJSZJMOYPP-NVXWUHKLSA-N 0 3 300.446 3.459 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cccc(Cl)c2)C1 ZINC001665730545 1197182516 /nfs/dbraw/zinc/18/25/16/1197182516.db2.gz DBYHRSZWJGFSRF-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccccc2C)C1 ZINC001665732834 1197182603 /nfs/dbraw/zinc/18/26/03/1197182603.db2.gz YTBTYTKAIPPVHV-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN CC[C@@H](C)C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001665905315 1197215177 /nfs/dbraw/zinc/21/51/77/1197215177.db2.gz YLRXIZSNIADNCP-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001666073658 1197233648 /nfs/dbraw/zinc/23/36/48/1197233648.db2.gz NHVGERKBJSIBKV-AWEZNQCLSA-N 0 3 324.827 3.410 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)cc1 ZINC001666340794 1197254043 /nfs/dbraw/zinc/25/40/43/1197254043.db2.gz ABLUFUBPENFMRD-JXFKEZNVSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(Cl)o2)CCCC1 ZINC001666743646 1197281772 /nfs/dbraw/zinc/28/17/72/1197281772.db2.gz PZTRLIJDCFPDRT-UHFFFAOYSA-N 0 3 317.216 3.318 20 30 DGEDHN CC(C)[C@H](CNC(=O)c1ccccc1)NCC#Cc1ccccc1 ZINC001667430744 1197347656 /nfs/dbraw/zinc/34/76/56/1197347656.db2.gz JHZFWMVLAUGDKT-FQEVSTJZSA-N 0 3 320.436 3.082 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(CC)s1)C(C)C ZINC001667473200 1197352163 /nfs/dbraw/zinc/35/21/63/1197352163.db2.gz JQWPVPNJQWCNSY-CYBMUJFWSA-N 0 3 314.882 3.407 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(F)c2ccccc12 ZINC001667627445 1197371443 /nfs/dbraw/zinc/37/14/43/1197371443.db2.gz SSZCGCLIGOIMLR-UHFFFAOYSA-N 0 3 312.388 3.006 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2ccsc21 ZINC001667648146 1197373962 /nfs/dbraw/zinc/37/39/62/1197373962.db2.gz WKGYIONOTLCIJX-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCCCC1(F)F ZINC001668153113 1197402508 /nfs/dbraw/zinc/40/25/08/1197402508.db2.gz PPXDNVFQCPWQJT-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN CC[C@H](NCCN(CC)C(=O)[C@@H](C)C#N)c1ccc(F)cc1F ZINC001668387996 1197413172 /nfs/dbraw/zinc/41/31/72/1197413172.db2.gz GUINOGCZRXNKRZ-LRDDRELGSA-N 0 3 323.387 3.014 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1c(C)nsc1C ZINC001668546545 1197419147 /nfs/dbraw/zinc/41/91/47/1197419147.db2.gz VQZJVJBPRCZBDH-KRWDZBQOSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1ccc(OC)c(F)c1 ZINC001669634908 1197466524 /nfs/dbraw/zinc/46/65/24/1197466524.db2.gz ZZLAMERZGZUEQR-ZDUSSCGKSA-N 0 3 322.424 3.031 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001669639859 1197467376 /nfs/dbraw/zinc/46/73/76/1197467376.db2.gz YYVLJRIDXRSVRG-LBPRGKRZSA-N 0 3 312.866 3.189 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001669658076 1197468798 /nfs/dbraw/zinc/46/87/98/1197468798.db2.gz VXQGTUBISMHISR-YVEFUNNKSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1 ZINC001669816744 1197488348 /nfs/dbraw/zinc/48/83/48/1197488348.db2.gz YXUFGMTXALQMSX-NLZINVLXSA-N 0 3 300.446 3.493 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1 ZINC001669867366 1197494358 /nfs/dbraw/zinc/49/43/58/1197494358.db2.gz FBGZUACBSCXCSP-BJRSVTDJSA-N 0 3 312.457 3.330 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001669867417 1197494456 /nfs/dbraw/zinc/49/44/56/1197494456.db2.gz FSXBXZOFCXCDEP-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001669878061 1197497405 /nfs/dbraw/zinc/49/74/05/1197497405.db2.gz WPMACOSJYPZAHT-DNVCBOLYSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCCC(=O)N(C)CCCN[C@H](C)c1c(F)cccc1F ZINC001670038587 1197517317 /nfs/dbraw/zinc/51/73/17/1197517317.db2.gz NVESHMJKBHQREC-CYBMUJFWSA-N 0 3 310.388 3.430 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001671638554 1197555777 /nfs/dbraw/zinc/55/57/77/1197555777.db2.gz SJJAJCJECKDRGC-DBBZSVRUSA-N 0 3 310.441 3.084 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001671887547 1197581568 /nfs/dbraw/zinc/58/15/68/1197581568.db2.gz QVIYAWWXMNWAOW-QUCCMNQESA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)sc2C)C1 ZINC001671892106 1197581981 /nfs/dbraw/zinc/58/19/81/1197581981.db2.gz LFCQWQSOWCEURA-QGZVFWFLSA-N 0 3 306.475 3.383 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC1(C)CC1)c1ccccc1CC ZINC001672175807 1197594877 /nfs/dbraw/zinc/59/48/77/1197594877.db2.gz ARIOUXUWEWDHNZ-KRWDZBQOSA-N 0 3 300.446 3.372 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(F)cc2C)C1 ZINC001672901452 1197627509 /nfs/dbraw/zinc/62/75/09/1197627509.db2.gz HMXVYGQLFJTOLL-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)[C@@H](F)C(C)C)cccc2C1 ZINC001673079911 1197636467 /nfs/dbraw/zinc/63/64/67/1197636467.db2.gz UKQCSWHNQMDQCY-SFHVURJKSA-N 0 3 318.436 3.231 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1cccc2c1CCN(CC(=C)C)C2 ZINC001673079492 1197636741 /nfs/dbraw/zinc/63/67/41/1197636741.db2.gz BTZOELQIHBYMGB-UHFFFAOYSA-N 0 3 312.457 3.449 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](CC)C2CCC(C)CC2)CCC1 ZINC001673172595 1197641635 /nfs/dbraw/zinc/64/16/35/1197641635.db2.gz QFQNPKLZYYTGOX-OFLPRAFFSA-N 0 3 304.478 3.101 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CCC1 ZINC001673221953 1197644953 /nfs/dbraw/zinc/64/49/53/1197644953.db2.gz NVLVFRJLROOECA-IAGOWNOFSA-N 0 3 318.505 3.491 20 30 DGEDHN C=C[C@@H](C(=O)NCC1(NC/C=C\Cl)CCC1)c1ccccc1 ZINC001673238703 1197646455 /nfs/dbraw/zinc/64/64/55/1197646455.db2.gz YKTOIXTVVJZKTP-JQPKSGMCSA-N 0 3 318.848 3.337 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1csc2cc(C)ccc21 ZINC001673439528 1197661886 /nfs/dbraw/zinc/66/18/86/1197661886.db2.gz WPVIVIKDFZIMHL-UHFFFAOYSA-N 0 3 314.454 3.237 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)CC1CCCCC1 ZINC001673475203 1197665942 /nfs/dbraw/zinc/66/59/42/1197665942.db2.gz VGIGUKNIZBXTRO-KRWDZBQOSA-N 0 3 306.494 3.397 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001673478479 1197665963 /nfs/dbraw/zinc/66/59/63/1197665963.db2.gz JRRYILRKGSMPPX-IRXDYDNUSA-N 0 3 306.494 3.252 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001673491198 1197668329 /nfs/dbraw/zinc/66/83/29/1197668329.db2.gz DYJMQAOWUSCHAA-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001673633824 1197681611 /nfs/dbraw/zinc/68/16/11/1197681611.db2.gz LDYKREKTWFRQSR-RBUKOAKNSA-N 0 3 324.468 3.296 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001673854242 1197698378 /nfs/dbraw/zinc/69/83/78/1197698378.db2.gz HFMUHSZYTXUEAC-WMLDXEAASA-N 0 3 304.409 3.037 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(C)ccc2F)C1 ZINC001673854241 1197698556 /nfs/dbraw/zinc/69/85/56/1197698556.db2.gz HFMUHSZYTXUEAC-PBHICJAKSA-N 0 3 304.409 3.037 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001674140943 1197737256 /nfs/dbraw/zinc/73/72/56/1197737256.db2.gz JDPFSTKXXWNUDU-RDJZCZTQSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1c(F)cccc1F ZINC001674192349 1197744309 /nfs/dbraw/zinc/74/43/09/1197744309.db2.gz ULJGVLVTDTZSRM-ZDUSSCGKSA-N 0 3 310.388 3.306 20 30 DGEDHN C=C(C)[C@H](CC(=O)N1CCC[C@@H]1CN(C)CC=C(C)C)OCC ZINC001674457253 1197778106 /nfs/dbraw/zinc/77/81/06/1197778106.db2.gz ILVLLZMPNBKVGU-MSOLQXFVSA-N 0 3 322.493 3.247 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1c(F)cccc1F ZINC001674469838 1197780935 /nfs/dbraw/zinc/78/09/35/1197780935.db2.gz OUMSDDXYCOEQCA-ZIAGYGMSSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CN(C)CCOC1CCC1 ZINC001674480977 1197783803 /nfs/dbraw/zinc/78/38/03/1197783803.db2.gz NODSBXYCNGZMNE-LPHOPBHVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)CCOC1CCC1 ZINC001674480979 1197783945 /nfs/dbraw/zinc/78/39/45/1197783945.db2.gz NODSBXYCNGZMNE-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001674819097 1197883581 /nfs/dbraw/zinc/88/35/81/1197883581.db2.gz LNJZOIOOMLESLU-UHFFFAOYSA-N 0 3 318.248 3.108 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674672223 1197829481 /nfs/dbraw/zinc/82/94/81/1197829481.db2.gz FJHYSQLUOPEOKD-UONOGXRCSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001674672754 1197829774 /nfs/dbraw/zinc/82/97/74/1197829774.db2.gz IAJCBKPDWUGLQD-OLZOCXBDSA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CCC(NCc2cc(C)no2)CC1 ZINC001674796427 1197876667 /nfs/dbraw/zinc/87/66/67/1197876667.db2.gz IUVISWWGCZDSKS-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1ccc(Cl)cc1 ZINC001674925796 1197923985 /nfs/dbraw/zinc/92/39/85/1197923985.db2.gz PMOPIWWUSYXQGB-CQSZACIVSA-N 0 3 320.864 3.326 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001674931238 1197925929 /nfs/dbraw/zinc/92/59/29/1197925929.db2.gz JPUCKFIDVOOIIV-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C[C@@H](CNC(=O)C1(C)CCCC1)N(C)Cc1cccc(C#N)c1 ZINC001674969390 1197936898 /nfs/dbraw/zinc/93/68/98/1197936898.db2.gz BXZSZBRPRPJSAZ-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC001675003806 1197953712 /nfs/dbraw/zinc/95/37/12/1197953712.db2.gz RASHYOYFMQPKJS-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN CC(=O)NC1(CNCC#Cc2ccc(Cl)cc2)CCCCC1 ZINC001675160726 1197996197 /nfs/dbraw/zinc/99/61/97/1197996197.db2.gz RMGXQNLCKKLANM-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001675269959 1198028067 /nfs/dbraw/zinc/02/80/67/1198028067.db2.gz NALDXFGMPOGNJT-RTBURBONSA-N 0 3 324.468 3.101 20 30 DGEDHN C[C@H](c1ccccc1)N1CC([C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001675304856 1198038638 /nfs/dbraw/zinc/03/86/38/1198038638.db2.gz CLHOTURRNFHGIH-JKSUJKDBSA-N 0 3 312.457 3.234 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001675318406 1198042616 /nfs/dbraw/zinc/04/26/16/1198042616.db2.gz ZYGVSVHQSBEDPR-MRXNPFEDSA-N 0 3 312.457 3.022 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001675322834 1198043389 /nfs/dbraw/zinc/04/33/89/1198043389.db2.gz QGHCBDBHCRCOSY-ZDUSSCGKSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001675635791 1198098773 /nfs/dbraw/zinc/09/87/73/1198098773.db2.gz QGPZYTJFFPMICO-YESZJQIVSA-N 0 3 322.880 3.149 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001675824063 1198147595 /nfs/dbraw/zinc/14/75/95/1198147595.db2.gz QHWFFYKKBXXKGG-SHTZXODSSA-N 0 3 306.837 3.154 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001676335640 1198293702 /nfs/dbraw/zinc/29/37/02/1198293702.db2.gz BCCIIFSFTDMCLB-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(C)nc2C)C[C@H]1C ZINC001676757360 1198382455 /nfs/dbraw/zinc/38/24/55/1198382455.db2.gz XUXLQGGRVMDDNA-QAPCUYQASA-N 0 3 315.461 3.134 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001676788921 1198387615 /nfs/dbraw/zinc/38/76/15/1198387615.db2.gz CFDZJDWJVFNRSI-UZLBHIALSA-N 0 3 322.452 3.470 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001676867210 1198415268 /nfs/dbraw/zinc/41/52/68/1198415268.db2.gz NJYUQPDFHUQXFS-MJGOQNOKSA-N 0 3 312.457 3.268 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2nc(C)cs2)C1 ZINC001676930775 1198438276 /nfs/dbraw/zinc/43/82/76/1198438276.db2.gz AJKBTJKVNCSHPI-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCc1nc(C)cs1)C(C)C ZINC001677205150 1198487114 /nfs/dbraw/zinc/48/71/14/1198487114.db2.gz MFPNTQMNYAJMLI-UHFFFAOYSA-N 0 3 323.506 3.129 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001677367250 1198522903 /nfs/dbraw/zinc/52/29/03/1198522903.db2.gz AOWZJBIJYASHMS-IRXDYDNUSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCCC2CC2)CC[C@H]1C(F)(F)F ZINC001677376577 1198526389 /nfs/dbraw/zinc/52/63/89/1198526389.db2.gz WQLITBILTDUKJK-KGLIPLIRSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001683979767 1199325756 /nfs/dbraw/zinc/32/57/56/1199325756.db2.gz RIFPYJSRRMAWER-WMZOPIPTSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001684410211 1199382155 /nfs/dbraw/zinc/38/21/55/1199382155.db2.gz 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C#CCN1CCC2(C[C@H]2NC(=O)CCCC2CCCCC2)CC1 ZINC001752432280 1201837627 /nfs/dbraw/zinc/83/76/27/1201837627.db2.gz SKFHZGHHNRFRIM-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN C[C@@H](CNCc1sccc1Cl)NC(=O)C#CC(C)(C)C ZINC001699403286 1201840232 /nfs/dbraw/zinc/84/02/32/1201840232.db2.gz QYFYBVPZVYKWGH-NSHDSACASA-N 0 3 312.866 3.045 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001699404742 1201842828 /nfs/dbraw/zinc/84/28/28/1201842828.db2.gz UNZRDHSAXDQJQV-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001752473459 1201849937 /nfs/dbraw/zinc/84/99/37/1201849937.db2.gz QRNCVPPVGCYHNR-QGZVFWFLSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H](C)CNCc1ccccn1)c1ccccc1 ZINC001699432870 1201863242 /nfs/dbraw/zinc/86/32/42/1201863242.db2.gz SANKXTDDHONCLT-DLBZAZTESA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001752523671 1201868699 /nfs/dbraw/zinc/86/86/99/1201868699.db2.gz FRYQBBNVFAWCSV-HRCADAONSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC001699472158 1201917513 /nfs/dbraw/zinc/91/75/13/1201917513.db2.gz RXTWJDBQKYLEDR-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001752786174 1201920492 /nfs/dbraw/zinc/92/04/92/1201920492.db2.gz MIYXPJOOPHADFW-PKOBYXMFSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccsc1C ZINC001752822592 1201950255 /nfs/dbraw/zinc/95/02/55/1201950255.db2.gz KMXKRVXPQWCFQG-INIZCTEOSA-N 0 3 306.475 3.146 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](CC=C)c1ccccc1 ZINC001752824954 1201953832 /nfs/dbraw/zinc/95/38/32/1201953832.db2.gz IIMXXDATBWAGPC-UXHICEINSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001752834619 1201960637 /nfs/dbraw/zinc/96/06/37/1201960637.db2.gz VNMOVUBTTIWQBI-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1Cc1cccc2ccccc21 ZINC001699613021 1201975589 /nfs/dbraw/zinc/97/55/89/1201975589.db2.gz HXPKJYMVHIBXKJ-GOSISDBHSA-N 0 3 308.425 3.497 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001699624617 1201987228 /nfs/dbraw/zinc/98/72/28/1201987228.db2.gz HWLIKAFFSOFQMO-QGZVFWFLSA-N 0 3 315.461 3.249 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)NCc1cc2ccccc2o1 ZINC001752873842 1201987613 /nfs/dbraw/zinc/98/76/13/1201987613.db2.gz XPPQNATWHQZSTR-HNNXBMFYSA-N 0 3 312.413 3.221 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001699628071 1201990504 /nfs/dbraw/zinc/99/05/04/1201990504.db2.gz MMJXXWQCGRKYAR-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001699629448 1201992600 /nfs/dbraw/zinc/99/26/00/1201992600.db2.gz UHZTUVZPPYSAON-MRXNPFEDSA-N 0 3 305.466 3.406 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001699636703 1202002678 /nfs/dbraw/zinc/00/26/78/1202002678.db2.gz IQGMAKAHJMHMPU-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001699638578 1202005827 /nfs/dbraw/zinc/00/58/27/1202005827.db2.gz LWIKHPYWQFJSQE-DLBZAZTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001699643588 1202008419 /nfs/dbraw/zinc/00/84/19/1202008419.db2.gz ZMFYRXUQQFOYDW-RHSMWYFYSA-N 0 3 304.409 3.315 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001699647036 1202012471 /nfs/dbraw/zinc/01/24/71/1202012471.db2.gz HTVNEXWEOXBMTA-INIZCTEOSA-N 0 3 302.393 3.018 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001699663084 1202022021 /nfs/dbraw/zinc/02/20/21/1202022021.db2.gz IFLVPNFMQJBXHK-OAHLLOKOSA-N 0 3 318.436 3.475 20 30 DGEDHN CC(C)=CC(=O)N[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001752965457 1202027144 /nfs/dbraw/zinc/02/71/44/1202027144.db2.gz PQRYYRKDUHPHDM-ROUUACIJSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001752967554 1202027475 /nfs/dbraw/zinc/02/74/75/1202027475.db2.gz GARQJTLQYRTFFD-ZIAGYGMSSA-N 0 3 321.490 3.262 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001699682369 1202031608 /nfs/dbraw/zinc/03/16/08/1202031608.db2.gz MUCOQWAPBAYCCG-MSOLQXFVSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001699694830 1202037081 /nfs/dbraw/zinc/03/70/81/1202037081.db2.gz OGEALOWPCSQLPP-YCRREMRBSA-N 0 3 310.869 3.410 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001752991058 1202041040 /nfs/dbraw/zinc/04/10/40/1202041040.db2.gz MBYYXEKCKZENHU-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001752999122 1202048283 /nfs/dbraw/zinc/04/82/83/1202048283.db2.gz SYLFGEDFRRKPQV-MJGOQNOKSA-N 0 3 312.457 3.126 20 30 DGEDHN Cc1cccc(C(=O)NCC[C@H](C)NCc2ccccc2C#N)c1 ZINC001753002163 1202051648 /nfs/dbraw/zinc/05/16/48/1202051648.db2.gz YGWTWYBMABDNSG-INIZCTEOSA-N 0 3 321.424 3.165 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1ncc(C)s1 ZINC001753011376 1202057906 /nfs/dbraw/zinc/05/79/06/1202057906.db2.gz VIYZLULBUBISRY-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(Cl)c(F)c1 ZINC001753013942 1202059337 /nfs/dbraw/zinc/05/93/37/1202059337.db2.gz CNDGXTSHMSVGLR-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001753013350 1202059825 /nfs/dbraw/zinc/05/98/25/1202059825.db2.gz HVYVRLHRAOWRCQ-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN Cc1ccc(C(=O)NCC[C@@H](C)NCc2ccccc2C#N)cc1 ZINC001753017307 1202061731 /nfs/dbraw/zinc/06/17/31/1202061731.db2.gz VTROZIBGMNXMHA-MRXNPFEDSA-N 0 3 321.424 3.165 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ncc(C)s2)C[C@@H]1C ZINC001699740766 1202061871 /nfs/dbraw/zinc/06/18/71/1202061871.db2.gz ZETRVKCZOZHRIT-ZFWWWQNUSA-N 0 3 321.490 3.277 20 30 DGEDHN C#CCN(C(=O)c1cccc(C)c1)C1CCN(CC(=C)C)CC1 ZINC001699778335 1202076282 /nfs/dbraw/zinc/07/62/82/1202076282.db2.gz KWQHSCPRFHMCTE-UHFFFAOYSA-N 0 3 310.441 3.111 20 30 DGEDHN C#CCN(C(=O)/C=C/C(C)(C)C)C1CCN(CC(=C)C)CC1 ZINC001699779711 1202077092 /nfs/dbraw/zinc/07/70/92/1202077092.db2.gz LDHLZESGIDRMCB-DHZHZOJOSA-N 0 3 302.462 3.091 20 30 DGEDHN C#CCN(C(=O)C1CCC(=C)CC1)C1CCN(CC(=C)C)CC1 ZINC001699783359 1202077346 /nfs/dbraw/zinc/07/73/46/1202077346.db2.gz UPDKDHJRKXEZEY-UHFFFAOYSA-N 0 3 314.473 3.235 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001699862494 1202119129 /nfs/dbraw/zinc/11/91/29/1202119129.db2.gz WOIUOHSAZHAOJH-QFBILLFUSA-N 0 3 304.478 3.054 20 30 DGEDHN CCCCCCCN1CCC[C@@H]1CNC(=O)c1nccs1 ZINC001753113445 1202142884 /nfs/dbraw/zinc/14/28/84/1202142884.db2.gz KBOMKTQYNILZKN-CQSZACIVSA-N 0 3 309.479 3.308 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001753117219 1202147184 /nfs/dbraw/zinc/14/71/84/1202147184.db2.gz YFJIGKHYTINPDL-QGZVFWFLSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001753132066 1202152597 /nfs/dbraw/zinc/15/25/97/1202152597.db2.gz IHSSIEOCXKWOHK-INIZCTEOSA-N 0 3 318.436 3.284 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 ZINC001700008114 1202162265 /nfs/dbraw/zinc/16/22/65/1202162265.db2.gz QLUQEQVHDPYWCN-QZTJIDSGSA-N 0 3 316.420 3.357 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001700019442 1202166582 /nfs/dbraw/zinc/16/65/82/1202166582.db2.gz LOEGBIYWUBAUIY-OKZBNKHCSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC001700046471 1202167661 /nfs/dbraw/zinc/16/76/61/1202167661.db2.gz BHSNEBQCUPEMFQ-ZDUSSCGKSA-N 0 3 310.800 3.020 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CCc2cccs2)C2CC2)C1 ZINC001753158883 1202174145 /nfs/dbraw/zinc/17/41/45/1202174145.db2.gz JIUOWNLDGSJHNV-UHFFFAOYSA-N 0 3 318.486 3.228 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cocc2C)cc1 ZINC001700094130 1202178556 /nfs/dbraw/zinc/17/85/56/1202178556.db2.gz GCUZPZUDVDAMNY-HNNXBMFYSA-N 0 3 310.397 3.192 20 30 DGEDHN CC#CCCCC(=O)N(C)CCNCc1ccc(Cl)c(F)c1 ZINC001753220574 1202184835 /nfs/dbraw/zinc/18/48/35/1202184835.db2.gz VXOINVYJMOXJKG-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H]2CCCCC2(C)C)CCC1 ZINC001700143992 1202191689 /nfs/dbraw/zinc/19/16/89/1202191689.db2.gz OFBNRDYTDUVDHT-MRXNPFEDSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@]2(C)CCC(C)=C(C)C2)CCC1 ZINC001700143754 1202191931 /nfs/dbraw/zinc/19/19/31/1202191931.db2.gz XWLYHSXESKHENR-GOSISDBHSA-N 0 3 302.462 3.165 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)CSC)c1ccccc1 ZINC001753297314 1202199574 /nfs/dbraw/zinc/19/95/74/1202199574.db2.gz IRSOJAJZEBIEJQ-GOEBONIOSA-N 0 3 306.475 3.009 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1CCC1(C)C)c1ccccc1 ZINC001753301621 1202200648 /nfs/dbraw/zinc/20/06/48/1202200648.db2.gz MIIPPFWZZNUQKM-IRXDYDNUSA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)C(F)(F)F)c1ccccc1 ZINC001753302130 1202200893 /nfs/dbraw/zinc/20/08/93/1202200893.db2.gz VHGMMBQICGXRSA-GXTWGEPZSA-N 0 3 314.351 3.208 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1nc(Cl)cs1)c1ccccc1 ZINC001753302331 1202201041 /nfs/dbraw/zinc/20/10/41/1202201041.db2.gz ZHGYYLSNJWDXPL-LBPRGKRZSA-N 0 3 321.833 3.043 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CCCCC1 ZINC001753306075 1202201632 /nfs/dbraw/zinc/20/16/32/1202201632.db2.gz XNGXDDFGTVAGPX-KDURUIRLSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccccc1 ZINC001753305114 1202201683 /nfs/dbraw/zinc/20/16/83/1202201683.db2.gz KKQJOHKRMSKOMR-YTQUADARSA-N 0 3 310.441 3.226 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2ccoc2Cl)C1 ZINC001753316205 1202205839 /nfs/dbraw/zinc/20/58/39/1202205839.db2.gz NLRYLZRWJGQZGL-ZDUSSCGKSA-N 0 3 310.825 3.436 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001753317472 1202207304 /nfs/dbraw/zinc/20/73/04/1202207304.db2.gz OQUHQXKBGDRTCW-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)Cc2ccco2)C1 ZINC001753319683 1202207903 /nfs/dbraw/zinc/20/79/03/1202207903.db2.gz KHSARLJKCNUMSV-SJORKVTESA-N 0 3 318.461 3.347 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)C2CCCC2)C1 ZINC001753319524 1202208215 /nfs/dbraw/zinc/20/82/15/1202208215.db2.gz HCBGDTKUFFLBFV-AEFFLSMTSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1c(Cl)cccc1Cl ZINC001700203118 1202210424 /nfs/dbraw/zinc/21/04/24/1202210424.db2.gz HBAFYSFPDINPGK-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)c2cccs2)C1 ZINC001753325450 1202212114 /nfs/dbraw/zinc/21/21/14/1202212114.db2.gz AHURTVZSHKZRDQ-HZPDHXFCSA-N 0 3 318.486 3.188 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)C(C)(F)F)cc2C1 ZINC001700251537 1202217448 /nfs/dbraw/zinc/21/74/48/1202217448.db2.gz OQXRESJEWUYEIC-UHFFFAOYSA-N 0 3 308.372 3.240 20 30 DGEDHN CC#CCCCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001753364791 1202231265 /nfs/dbraw/zinc/23/12/65/1202231265.db2.gz OJSSIJSZULXZCI-YRNVUSSQSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001700316256 1202233008 /nfs/dbraw/zinc/23/30/08/1202233008.db2.gz RWBGNGKMBGMZGK-RYUDHWBXSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCCC(=O)NC[C@H]1c2ccccc2CCN1CCCC ZINC001700329921 1202239396 /nfs/dbraw/zinc/23/93/96/1202239396.db2.gz KGQXZBKSSMKQBV-SFHVURJKSA-N 0 3 300.446 3.468 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001700340053 1202240966 /nfs/dbraw/zinc/24/09/66/1202240966.db2.gz HMTDXQBKHCXRRG-UHFFFAOYSA-N 0 3 324.896 3.349 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](C=C)c1ccccc1 ZINC001700362731 1202249893 /nfs/dbraw/zinc/24/98/93/1202249893.db2.gz DJDZMECMIGXAEL-MJGOQNOKSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC001753433112 1202253247 /nfs/dbraw/zinc/25/32/47/1202253247.db2.gz BYCBGRBCENNICD-CHWSQXEVSA-N 0 3 319.276 3.069 20 30 DGEDHN CCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001700386263 1202257988 /nfs/dbraw/zinc/25/79/88/1202257988.db2.gz IJVGBZMXLWXHBP-HUUCEWRRSA-N 0 3 320.864 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001700402561 1202263336 /nfs/dbraw/zinc/26/33/36/1202263336.db2.gz VFEBDDKEICWTJF-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](CC)NCc1cc(C)ccc1F ZINC001753481997 1202270984 /nfs/dbraw/zinc/27/09/84/1202270984.db2.gz AMCVTKQYNZMKFI-QGZVFWFLSA-N 0 3 318.436 3.312 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccco2)CCCC[C@H]1C ZINC001753529818 1202284160 /nfs/dbraw/zinc/28/41/60/1202284160.db2.gz KVVAKLIIXCIQOB-MLGOLLRUSA-N 0 3 310.825 3.300 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001700471954 1202286066 /nfs/dbraw/zinc/28/60/66/1202286066.db2.gz WHDYBIGLTJGICF-DYVFJYSZSA-N 0 3 318.436 3.462 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CCNCc2cnoc2C)C1 ZINC001753548777 1202287432 /nfs/dbraw/zinc/28/74/32/1202287432.db2.gz RXMIDIWNOJWGKW-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC001753550546 1202287650 /nfs/dbraw/zinc/28/76/50/1202287650.db2.gz STRXOSISULTACQ-HNNXBMFYSA-N 0 3 323.868 3.216 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)CCCC)cc1 ZINC001753590351 1202295040 /nfs/dbraw/zinc/29/50/40/1202295040.db2.gz GFDIGRYXWJVRKP-MRXNPFEDSA-N 0 3 300.446 3.242 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@@H](NCc1nccs1)C(C)C ZINC001700505055 1202298074 /nfs/dbraw/zinc/29/80/74/1202298074.db2.gz XXDMELVLXXALIY-CQSZACIVSA-N 0 3 323.506 3.318 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001753617338 1202300716 /nfs/dbraw/zinc/30/07/16/1202300716.db2.gz RFYGZOKFCWRKBQ-HNNXBMFYSA-N 0 3 315.461 3.082 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001700524418 1202304587 /nfs/dbraw/zinc/30/45/87/1202304587.db2.gz XIBMXFMBZUHIDC-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C=C[C@@H](CC(=O)NCC1(NCCF)CCCC1)c1ccccc1 ZINC001753670907 1202309944 /nfs/dbraw/zinc/30/99/44/1202309944.db2.gz MQBMDCFKNOPUBY-INIZCTEOSA-N 0 3 318.436 3.334 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001700551876 1202312046 /nfs/dbraw/zinc/31/20/46/1202312046.db2.gz XDURPNQQEGKZQA-LSDHHAIUSA-N 0 3 318.436 3.017 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC001700565375 1202313502 /nfs/dbraw/zinc/31/35/02/1202313502.db2.gz AWMZOKYRNLNBCX-ZDUSSCGKSA-N 0 3 304.425 3.439 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001753688727 1202313745 /nfs/dbraw/zinc/31/37/45/1202313745.db2.gz CMRFGZFCICWZBN-ZIAGYGMSSA-N 0 3 322.399 3.122 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cccc(C)c2)C(C)(C)C1 ZINC001700572872 1202315881 /nfs/dbraw/zinc/31/58/81/1202315881.db2.gz LQPDJRFATZLKAX-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001753707282 1202317509 /nfs/dbraw/zinc/31/75/09/1202317509.db2.gz WRULTSYCZXIKCK-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](CC)CC2CCCC2)C(C)(C)C1 ZINC001700576828 1202318468 /nfs/dbraw/zinc/31/84/68/1202318468.db2.gz SPYKJTBIRLBIMJ-QZTJIDSGSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1CCC(F)CC1 ZINC001700674411 1202332416 /nfs/dbraw/zinc/33/24/16/1202332416.db2.gz TUWAXIYAQREKBP-HSBZDZAISA-N 0 3 304.837 3.142 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cnc(C)s1 ZINC001753804176 1202336343 /nfs/dbraw/zinc/33/63/43/1202336343.db2.gz FOYGTWBWSCILOH-CZUORRHYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CCC(CCN(C)Cc2ocnc2C)CC1 ZINC001753817979 1202339203 /nfs/dbraw/zinc/33/92/03/1202339203.db2.gz ILOBPBGLVWVRHR-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccsc1C)C(C)C ZINC001753830043 1202343045 /nfs/dbraw/zinc/34/30/45/1202343045.db2.gz SQPPHIWTKADWNF-ZDUSSCGKSA-N 0 3 300.855 3.153 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1ccncc1Cl)C(C)C ZINC001753830228 1202343197 /nfs/dbraw/zinc/34/31/97/1202343197.db2.gz GHAPCMJFSNPJLL-MRXNPFEDSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccsc1C)C(C)C ZINC001753830042 1202343220 /nfs/dbraw/zinc/34/32/20/1202343220.db2.gz SQPPHIWTKADWNF-CYBMUJFWSA-N 0 3 300.855 3.153 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](C)CN(C)C(=O)C#CC(C)C ZINC001700749461 1202348008 /nfs/dbraw/zinc/34/80/08/1202348008.db2.gz QSSDMTKTGIBZDG-OAHLLOKOSA-N 0 3 320.864 3.244 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001700771022 1202352188 /nfs/dbraw/zinc/35/21/88/1202352188.db2.gz SDNGWRLCKFUUIP-MSOLQXFVSA-N 0 3 314.473 3.339 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@H]1C ZINC001700812077 1202354653 /nfs/dbraw/zinc/35/46/53/1202354653.db2.gz MQXVSNSKSLSKIS-WBMJQRKESA-N 0 3 308.372 3.010 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(CCC)c(C)s2)C1 ZINC001700850026 1202358814 /nfs/dbraw/zinc/35/88/14/1202358814.db2.gz BPXQVJIZLMTTNV-CJNGLKHVSA-N 0 3 318.486 3.225 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cnco2)[C@@H]1C ZINC001700882511 1202365205 /nfs/dbraw/zinc/36/52/05/1202365205.db2.gz SYFGOBPGGFGCKL-GJZGRUSLSA-N 0 3 305.422 3.004 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CCN(Cc2cccnc2C)CC1 ZINC001701009085 1202380674 /nfs/dbraw/zinc/38/06/74/1202380674.db2.gz MOBYSMVECSILMJ-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001701011472 1202380990 /nfs/dbraw/zinc/38/09/90/1202380990.db2.gz PUZYJYZEIJYXGN-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC(C)=C(C)C)CC2)CC1 ZINC001701029683 1202383609 /nfs/dbraw/zinc/38/36/09/1202383609.db2.gz HBTKKIMDMPAPQR-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001707045599 1202568685 /nfs/dbraw/zinc/56/86/85/1202568685.db2.gz HVZAVQJXPCEPHL-INIZCTEOSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC=C)c1ccccc1 ZINC001707062165 1202570996 /nfs/dbraw/zinc/57/09/96/1202570996.db2.gz LECWPGMINPEHNE-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)C(CC)CC)C2)CC1 ZINC001707124230 1202573722 /nfs/dbraw/zinc/57/37/22/1202573722.db2.gz IVYUMOBQPXFJKC-SJORKVTESA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CSC(C)C)C1 ZINC001707233943 1202577326 /nfs/dbraw/zinc/57/73/26/1202577326.db2.gz WGRHRVJPDLQIJA-CQSZACIVSA-N 0 3 318.914 3.241 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC1CC1 ZINC001707185706 1202575582 /nfs/dbraw/zinc/57/55/82/1202575582.db2.gz LBHIFNHHLRZYQA-NZSAHSFTSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCCC)C(C)(C)[C@H]21 ZINC001707188433 1202575845 /nfs/dbraw/zinc/57/58/45/1202575845.db2.gz RDRIAAHIYDJGHL-NXHRZFHOSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001707281283 1202580538 /nfs/dbraw/zinc/58/05/38/1202580538.db2.gz HNOFAMCPBUARLL-XMELGKRDSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001712998233 1202609052 /nfs/dbraw/zinc/60/90/52/1202609052.db2.gz CUVFZZXBOXUYPK-BBRMVZONSA-N 0 3 323.868 3.059 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)CCCCC)CC1 ZINC001713097505 1202616739 /nfs/dbraw/zinc/61/67/39/1202616739.db2.gz UKGPGFHMGGDSGF-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001713098764 1202616858 /nfs/dbraw/zinc/61/68/58/1202616858.db2.gz VEJGZDVQHXMIBZ-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001713101410 1202617224 /nfs/dbraw/zinc/61/72/24/1202617224.db2.gz STIOXQAYCDTSEC-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001713101464 1202617273 /nfs/dbraw/zinc/61/72/73/1202617273.db2.gz URVXOFKSHUMAMJ-UHFFFAOYSA-N 0 3 309.841 3.171 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001713128467 1202619982 /nfs/dbraw/zinc/61/99/82/1202619982.db2.gz OGLGLJKUZBBNFD-FQEVSTJZSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C ZINC001713142860 1202621638 /nfs/dbraw/zinc/62/16/38/1202621638.db2.gz JZGSJOXBUMFFNO-WNRNVDISSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccco1 ZINC001713144259 1202621798 /nfs/dbraw/zinc/62/17/98/1202621798.db2.gz WKCPZHNHVWEDKM-ZACQAIPSSA-N 0 3 316.445 3.100 20 30 DGEDHN C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001713178930 1202624461 /nfs/dbraw/zinc/62/44/61/1202624461.db2.gz ABVIXJMFKVBGAJ-AYHJJNSGSA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2CN(CCC(F)(F)F)CC[C@H]21 ZINC001713182118 1202624623 /nfs/dbraw/zinc/62/46/23/1202624623.db2.gz MJNLRWVKVBABAD-UONOGXRCSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001713202231 1202626227 /nfs/dbraw/zinc/62/62/27/1202626227.db2.gz XLZGIYOLCBLETL-FPMFFAJLSA-N 0 3 300.874 3.438 20 30 DGEDHN CC1(C)CC[C@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001713201005 1202626250 /nfs/dbraw/zinc/62/62/50/1202626250.db2.gz GIVUVLPVRQFCOP-GBESFXJTSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccccc1Cl ZINC001713258649 1202632651 /nfs/dbraw/zinc/63/26/51/1202632651.db2.gz BKCBGPAIPFPLEA-HNNXBMFYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CSCCC ZINC001713269717 1202633672 /nfs/dbraw/zinc/63/36/72/1202633672.db2.gz JEDMNMBZFOGBKA-HZPDHXFCSA-N 0 3 310.507 3.161 20 30 DGEDHN CC(C)CC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001713284047 1202635737 /nfs/dbraw/zinc/63/57/37/1202635737.db2.gz FUCNVPYKSIQWDE-UHFFFAOYSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2cccc(F)c2)CC1 ZINC001713337297 1202640405 /nfs/dbraw/zinc/64/04/05/1202640405.db2.gz MSGAHUKGLSRAQP-AWEZNQCLSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC001713378121 1202643053 /nfs/dbraw/zinc/64/30/53/1202643053.db2.gz ZYKIRMPBZIPNAF-HUUCEWRRSA-N 0 3 319.449 3.021 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC001713401666 1202645898 /nfs/dbraw/zinc/64/58/98/1202645898.db2.gz SFCFACQLYXSCBP-MRXNPFEDSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1c(C)cc(C)cc1C ZINC001713416646 1202647555 /nfs/dbraw/zinc/64/75/55/1202647555.db2.gz RMVRELMMPOCCTH-MRXNPFEDSA-N 0 3 322.880 3.391 20 30 DGEDHN C=C(Br)CN[C@H](C)CCNC(=O)C(C)(CC)CC ZINC001713422033 1202647999 /nfs/dbraw/zinc/64/79/99/1202647999.db2.gz DDWYXQBMQTXLCT-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2ccccc2cc1F ZINC001713488878 1202658701 /nfs/dbraw/zinc/65/87/01/1202658701.db2.gz WQUMYTKOKKIRLD-UHFFFAOYSA-N 0 3 300.377 3.217 20 30 DGEDHN C=CCCCCCN1CCC[C@H]1CNC(=O)c1nccs1 ZINC001713516279 1202663710 /nfs/dbraw/zinc/66/37/10/1202663710.db2.gz KVROFNDOGKRKCG-AWEZNQCLSA-N 0 3 307.463 3.084 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1 ZINC001713700112 1202678629 /nfs/dbraw/zinc/67/86/29/1202678629.db2.gz DOSHBBRCMDWFAW-KURKYZTESA-N 0 3 312.457 3.139 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C(C)(F)F)CC1)c1ccccc1 ZINC001713701023 1202678651 /nfs/dbraw/zinc/67/86/51/1202678651.db2.gz KPHIUFAFWGYBRQ-HNNXBMFYSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccnc1C1CC1)c1ccccc1 ZINC001713701102 1202678679 /nfs/dbraw/zinc/67/86/79/1202678679.db2.gz RCAQEZWJZHFBJP-GOSISDBHSA-N 0 3 321.424 3.206 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cccc(F)c1C)c1ccccc1 ZINC001713702275 1202678759 /nfs/dbraw/zinc/67/87/59/1202678759.db2.gz IWIFEXNPRLCWKX-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccn(CC)c2C)C1 ZINC001713718285 1202680854 /nfs/dbraw/zinc/68/08/54/1202680854.db2.gz DAFHSUPZYJFBMU-QGZVFWFLSA-N 0 3 317.477 3.319 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)CCC1 ZINC001713735467 1202683967 /nfs/dbraw/zinc/68/39/67/1202683967.db2.gz RQRWHWOCZCNGLC-HGZZYMOZSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)Cc2ccccc2C)CC1 ZINC001713785168 1202690317 /nfs/dbraw/zinc/69/03/17/1202690317.db2.gz LUHZNOFXHMWYCK-QGZVFWFLSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(CC)ccn2)CC1 ZINC001713852664 1202695705 /nfs/dbraw/zinc/69/57/05/1202695705.db2.gz DVUNVEASCPYWEZ-UHFFFAOYSA-N 0 3 315.461 3.147 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1cnc(C)s1)C1CC1 ZINC001713877183 1202698000 /nfs/dbraw/zinc/69/80/00/1202698000.db2.gz USIVHYKBWGLXTG-RDJZCZTQSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001713910732 1202701466 /nfs/dbraw/zinc/70/14/66/1202701466.db2.gz PAQIUFUAJUJFIK-ZJPYXAASSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001713950181 1202704688 /nfs/dbraw/zinc/70/46/88/1202704688.db2.gz NQJYQDVTYBLKPI-QAQDUYKDSA-N 0 3 316.420 3.331 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001714003007 1202723888 /nfs/dbraw/zinc/72/38/88/1202723888.db2.gz RBFGOCGKMCXBNN-AEGPPILISA-N 0 3 321.852 3.074 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001714017737 1202729850 /nfs/dbraw/zinc/72/98/50/1202729850.db2.gz DMKCLTGYBPHTDN-IEBWSBKVSA-N 0 3 312.457 3.126 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001714038301 1202744006 /nfs/dbraw/zinc/74/40/06/1202744006.db2.gz VAITYSUEZWJABX-KRWDZBQOSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001714049873 1202751681 /nfs/dbraw/zinc/75/16/81/1202751681.db2.gz LZPBGTAODKCITJ-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)c2ccccc2)C1 ZINC001714050273 1202752560 /nfs/dbraw/zinc/75/25/60/1202752560.db2.gz PFXPGAPHWGGTRG-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN CC[C@@H](CNC(=O)CCC1CCC1)NCC#Cc1ccccc1 ZINC001714067973 1202760714 /nfs/dbraw/zinc/76/07/14/1202760714.db2.gz VDCPVNNSUMILSM-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)NCC#Cc1ccccc1 ZINC001714083105 1202766777 /nfs/dbraw/zinc/76/67/77/1202766777.db2.gz WMDKGUSISQJVRC-SJLPKXTDSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1cc(C)ccc1F ZINC001714095350 1202771501 /nfs/dbraw/zinc/77/15/01/1202771501.db2.gz FPLYWGMWZSRXTI-OAHLLOKOSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1F ZINC001714116331 1202786940 /nfs/dbraw/zinc/78/69/40/1202786940.db2.gz ZGNHKDLUINJDLZ-HNNXBMFYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2C[C@H](C)OC)CCCC1 ZINC001714120169 1202789360 /nfs/dbraw/zinc/78/93/60/1202789360.db2.gz YWZFOMFRRSWYSX-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(CC)CC)NCc1ccc(C#N)s1 ZINC001714121881 1202789924 /nfs/dbraw/zinc/78/99/24/1202789924.db2.gz DHHNFIKEHYVEBX-ZDUSSCGKSA-N 0 3 321.490 3.430 20 30 DGEDHN CCCCC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001714181641 1202820845 /nfs/dbraw/zinc/82/08/45/1202820845.db2.gz MWJJZZLDUAWFIB-UHFFFAOYSA-N 0 3 313.445 3.265 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001714263127 1202852407 /nfs/dbraw/zinc/85/24/07/1202852407.db2.gz ZDAWWOOZSIVBMH-CQSZACIVSA-N 0 3 306.425 3.331 20 30 DGEDHN C#CCC1(C(=O)NC[C@H](C)NCc2ccsc2)CCCCC1 ZINC001714308620 1202876049 /nfs/dbraw/zinc/87/60/49/1202876049.db2.gz HBTBYABHOVKCFD-HNNXBMFYSA-N 0 3 318.486 3.316 20 30 DGEDHN CC#CCCCC(=O)NCCC1CCN(C[C@@H](F)CC)CC1 ZINC001714328642 1202884613 /nfs/dbraw/zinc/88/46/13/1202884613.db2.gz JJGDTDLUIXKYPA-KRWDZBQOSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2nc(C)sc2C)C1 ZINC001714393518 1202909930 /nfs/dbraw/zinc/90/99/30/1202909930.db2.gz KHAFUVKYHNOPDA-LSDHHAIUSA-N 0 3 321.490 3.243 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001714406166 1202915431 /nfs/dbraw/zinc/91/54/31/1202915431.db2.gz FEQKTELLBHFBFV-KGLIPLIRSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1ccncc1Cl ZINC001714421216 1202922316 /nfs/dbraw/zinc/92/23/16/1202922316.db2.gz XAWPYHWTOJHVIX-CYBMUJFWSA-N 0 3 323.868 3.179 20 30 DGEDHN C#CCCCCC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001714516046 1202975471 /nfs/dbraw/zinc/97/54/71/1202975471.db2.gz FULWECDONIYJQM-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)C(CC)CC)CC2 ZINC001714521193 1202976298 /nfs/dbraw/zinc/97/62/98/1202976298.db2.gz LAPFLBGSDBPLIG-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H](CC)C(C)(C)C)CC2 ZINC001714523854 1202977026 /nfs/dbraw/zinc/97/70/26/1202977026.db2.gz RSGJPZRNVBIOQD-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2ccc(F)cc2C)C1 ZINC001714591512 1203031491 /nfs/dbraw/zinc/03/14/91/1203031491.db2.gz CKBYUIRUFKSDQN-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001714642162 1203069654 /nfs/dbraw/zinc/06/96/54/1203069654.db2.gz CZVNJHQWSJIGOF-ROUUACIJSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(CC(C)C)s1)C1CC1 ZINC001714664365 1203089077 /nfs/dbraw/zinc/08/90/77/1203089077.db2.gz BFEBULFQNAIFHX-UHFFFAOYSA-N 0 3 306.475 3.327 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1cccc(F)c1F)C1CC1 ZINC001714679239 1203098676 /nfs/dbraw/zinc/09/86/76/1203098676.db2.gz DSZSMDMSNUDLLI-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN CCCCC1(C(=O)N(C)CCNCc2ccc(C#N)s2)CC1 ZINC001714750607 1203117181 /nfs/dbraw/zinc/11/71/81/1203117181.db2.gz ACXMQVNNODNDDZ-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN CCCCC1(C(=O)N(C)CCNCc2cccc(C#N)c2)CC1 ZINC001714750837 1203117230 /nfs/dbraw/zinc/11/72/30/1203117230.db2.gz DUNAPBGPCJDNFC-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001714777944 1203125085 /nfs/dbraw/zinc/12/50/85/1203125085.db2.gz SUGNVVOOJIFVSQ-QGZVFWFLSA-N 0 3 312.457 3.077 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001714781082 1203126404 /nfs/dbraw/zinc/12/64/04/1203126404.db2.gz UWBXDWVDHJHULJ-AWEZNQCLSA-N 0 3 321.490 3.240 20 30 DGEDHN CC(C)N(CCCNC(=O)C1(C)CC1)Cc1ccccc1C#N ZINC001714822797 1203139386 /nfs/dbraw/zinc/13/93/86/1203139386.db2.gz XJNGNLVQTFPXPU-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC(C)(C)CC)c1ccccc1 ZINC001714837153 1203145604 /nfs/dbraw/zinc/14/56/04/1203145604.db2.gz QVRWIZQDRIEMOF-QGZVFWFLSA-N 0 3 300.446 3.283 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)c1cccnc1)c1ccccc1 ZINC001714849568 1203150797 /nfs/dbraw/zinc/15/07/97/1203150797.db2.gz QSMRDESGWDIZQN-LPHOPBHVSA-N 0 3 323.440 3.208 20 30 DGEDHN C=CCN[C@H](CNC(=O)COc1ccc(C)cc1)c1ccccc1 ZINC001714851536 1203151952 /nfs/dbraw/zinc/15/19/52/1203151952.db2.gz XIIMPSLMGYUYDZ-LJQANCHMSA-N 0 3 324.424 3.007 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001715012324 1203237080 /nfs/dbraw/zinc/23/70/80/1203237080.db2.gz HMECZJFSUSWJJO-SFHVURJKSA-N 0 3 300.446 3.248 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2ccccc2F)C1 ZINC001715069646 1203262302 /nfs/dbraw/zinc/26/23/02/1203262302.db2.gz DWICVKFZWBDFCH-HNNXBMFYSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1CC1 ZINC001715115081 1203277028 /nfs/dbraw/zinc/27/70/28/1203277028.db2.gz XCENNMMGOIRVJV-SCNOPHJPSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC001715117431 1203277344 /nfs/dbraw/zinc/27/73/44/1203277344.db2.gz NVSGQAMPNHTIAP-HOTGVXAUSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)C1CCCC1)C1CC1 ZINC001715121436 1203278578 /nfs/dbraw/zinc/27/85/78/1203278578.db2.gz WNAUZSOBYFEIKW-DYVFJYSZSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001715129589 1203280749 /nfs/dbraw/zinc/28/07/49/1203280749.db2.gz SAUTVEVAPNIGOI-CQSZACIVSA-N 0 3 300.874 3.393 20 30 DGEDHN CCC(=CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1)CC ZINC001715329266 1203316743 /nfs/dbraw/zinc/31/67/43/1203316743.db2.gz QRGBNCWHABJIJK-CYBMUJFWSA-N 0 3 319.474 3.303 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001715354426 1203322379 /nfs/dbraw/zinc/32/23/79/1203322379.db2.gz JXIKVEJOHFHOMN-ZDUSSCGKSA-N 0 3 310.388 3.258 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001715526570 1203361258 /nfs/dbraw/zinc/36/12/58/1203361258.db2.gz WUMNLEFJPYFNLF-ROUUACIJSA-N 0 3 318.436 3.286 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001715533789 1203364626 /nfs/dbraw/zinc/36/46/26/1203364626.db2.gz PTOHURCJXRMNLT-IBGZPJMESA-N 0 3 314.473 3.230 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001715540213 1203367649 /nfs/dbraw/zinc/36/76/49/1203367649.db2.gz UMIBQYBFTRDWQG-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001715826411 1203395931 /nfs/dbraw/zinc/39/59/31/1203395931.db2.gz LULGHRBIGIXCLO-ABTZXHIVSA-N 0 3 304.478 3.124 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(OC)c(C)c1 ZINC001715920698 1203404675 /nfs/dbraw/zinc/40/46/75/1203404675.db2.gz YTRKMGZCLFDFPT-UHFFFAOYSA-N 0 3 318.461 3.106 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001715946722 1203408758 /nfs/dbraw/zinc/40/87/58/1203408758.db2.gz WQMMSAHOGYFZJB-OAHLLOKOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC001715996665 1203418090 /nfs/dbraw/zinc/41/80/90/1203418090.db2.gz SANQDFKUJOGBNM-UHFFFAOYSA-N 0 3 314.351 3.285 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001716027579 1203427955 /nfs/dbraw/zinc/42/79/55/1203427955.db2.gz LOBYZSBNDPFXAZ-KSSFIOAISA-N 0 3 316.420 3.053 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001716034876 1203430640 /nfs/dbraw/zinc/43/06/40/1203430640.db2.gz MTWMBYIPIVEZPO-PJVYJYFWSA-N 0 3 311.429 3.017 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716037080 1203431369 /nfs/dbraw/zinc/43/13/69/1203431369.db2.gz BDDLFHQBMMZDDA-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN CCC[C@@H](C)C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001716127069 1203441634 /nfs/dbraw/zinc/44/16/34/1203441634.db2.gz DWTKKICELTZOHS-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)[nH]c2ccccc21 ZINC001716155000 1203443962 /nfs/dbraw/zinc/44/39/62/1203443962.db2.gz DCUAOHOLTCAQHK-GFCCVEGCSA-N 0 3 319.836 3.327 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CC(C1CCC1)C1CCC1 ZINC001716239674 1203452573 /nfs/dbraw/zinc/45/25/73/1203452573.db2.gz PUTVVIBCWOSVLT-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001716253336 1203453987 /nfs/dbraw/zinc/45/39/87/1203453987.db2.gz RDRREMNABZTUAZ-CVEARBPZSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCCC(=O)NC/C=C\CNCc1ccc(F)c(Cl)c1 ZINC001716272450 1203456402 /nfs/dbraw/zinc/45/64/02/1203456402.db2.gz IGJITVUPTSXKIM-PLNGDYQASA-N 0 3 310.800 3.207 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN[C@@H](CC)c1ccc(F)cc1F ZINC001716394481 1203465982 /nfs/dbraw/zinc/46/59/82/1203465982.db2.gz VZHRGHJNSWHNKG-DYVFJYSZSA-N 0 3 322.399 3.314 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001716433982 1203473119 /nfs/dbraw/zinc/47/31/19/1203473119.db2.gz HHVFZOVYTMHKQO-LBPRGKRZSA-N 0 3 312.866 3.189 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001716464429 1203478952 /nfs/dbraw/zinc/47/89/52/1203478952.db2.gz PYAZEHLLTMRETF-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001716499038 1203492369 /nfs/dbraw/zinc/49/23/69/1203492369.db2.gz ZUQJEVHVSZRMLO-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1coc2ccc(Cl)cc12 ZINC001716502936 1203494036 /nfs/dbraw/zinc/49/40/36/1203494036.db2.gz FCXBHEKNTBTHHR-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1CNCc1nccs1 ZINC001716513546 1203497807 /nfs/dbraw/zinc/49/78/07/1203497807.db2.gz DBEUEQPCEGGANR-LSDHHAIUSA-N 0 3 321.490 3.264 20 30 DGEDHN CC1(CCC(=O)N[C@@H](CNCC#Cc2ccccc2)C2CC2)CC1 ZINC001716625021 1203508222 /nfs/dbraw/zinc/50/82/22/1203508222.db2.gz JTWHSFPKYSVXRX-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001716652006 1203513585 /nfs/dbraw/zinc/51/35/85/1203513585.db2.gz GWAZUMNKZIUKDS-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001716656121 1203514978 /nfs/dbraw/zinc/51/49/78/1203514978.db2.gz LIJNTRJYBRFJQT-DDKKJVIOSA-N 0 3 316.420 3.386 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001716660285 1203516301 /nfs/dbraw/zinc/51/63/01/1203516301.db2.gz PJGWMVWSJCBSJE-QUCCMNQESA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001716670089 1203521099 /nfs/dbraw/zinc/52/10/99/1203521099.db2.gz AWVFIGZDFGUODP-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC(C)(C)c1ccccc1 ZINC001716672063 1203521984 /nfs/dbraw/zinc/52/19/84/1203521984.db2.gz WTHQJOAUFAPGMH-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001716683831 1203524599 /nfs/dbraw/zinc/52/45/99/1203524599.db2.gz RQHWXVDUAZXGET-UHFFFAOYSA-N 0 3 304.409 3.229 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001716774302 1203540849 /nfs/dbraw/zinc/54/08/49/1203540849.db2.gz IVABFUQRADMHJM-MJGOQNOKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001716830304 1203549527 /nfs/dbraw/zinc/54/95/27/1203549527.db2.gz NAEPFSOHQCRVMV-HXUWFJFHSA-N 0 3 316.489 3.317 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001716829758 1203549631 /nfs/dbraw/zinc/54/96/31/1203549631.db2.gz BVZXPGQHZLBZSG-KYSILRCISA-N 0 3 314.473 3.237 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC001716845649 1203554082 /nfs/dbraw/zinc/55/40/82/1203554082.db2.gz BAYDBDCJJNALMY-GOSISDBHSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC001716850600 1203555890 /nfs/dbraw/zinc/55/58/90/1203555890.db2.gz OLWWQUZAGYKKEE-DRZUXFPHSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccc(C)s2)C1 ZINC001716902999 1203566995 /nfs/dbraw/zinc/56/69/95/1203566995.db2.gz UWGOZGRPGCAOEZ-KRWDZBQOSA-N 0 3 306.475 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001717109413 1203585689 /nfs/dbraw/zinc/58/56/89/1203585689.db2.gz CYQWGJBAFQZSBF-OAHLLOKOSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)CC(F)(F)F ZINC001717112917 1203585903 /nfs/dbraw/zinc/58/59/03/1203585903.db2.gz QBEPSOSIHGVTAS-UHFFFAOYSA-N 0 3 314.351 3.263 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC2(F)F)cc1 ZINC001717114398 1203586660 /nfs/dbraw/zinc/58/66/60/1203586660.db2.gz DJVLTBSKXJDZQM-CZUORRHYSA-N 0 3 320.383 3.022 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCN(C)Cc1ccc(C)nc1C ZINC001717210108 1203602618 /nfs/dbraw/zinc/60/26/18/1203602618.db2.gz YJPRXGYYRJJZBE-UHFFFAOYSA-N 0 3 317.477 3.191 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001717213894 1203604323 /nfs/dbraw/zinc/60/43/23/1203604323.db2.gz ATUJZIDWUVSTRI-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC001717327210 1203618378 /nfs/dbraw/zinc/61/83/78/1203618378.db2.gz GKWNRUCMKOONNQ-YOEHRIQHSA-N 0 3 318.486 3.329 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001717337944 1203620839 /nfs/dbraw/zinc/62/08/39/1203620839.db2.gz OAEFXFDTVMGVLS-HIFRSBDPSA-N 0 3 321.490 3.277 20 30 DGEDHN C#Cc1ccccc1CC(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001717374002 1203629516 /nfs/dbraw/zinc/62/95/16/1203629516.db2.gz LSVUMGVYJGNKNF-FQEVSTJZSA-N 0 3 324.468 3.099 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2c[nH]c3ccccc23)C1 ZINC001717387666 1203633255 /nfs/dbraw/zinc/63/32/55/1203633255.db2.gz UMEQQWFJWVLSRX-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C[C@@H](NC(=O)CC(C)(C)C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717398405 1203636199 /nfs/dbraw/zinc/63/61/99/1203636199.db2.gz DWHJGWHSVXPCDQ-QWHCGFSZSA-N 0 3 319.424 3.116 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717400838 1203636623 /nfs/dbraw/zinc/63/66/23/1203636623.db2.gz KNGQZCOEFOUYGR-LSDHHAIUSA-N 0 3 318.848 3.141 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1C=CC=CC=C1 ZINC001717453567 1203647810 /nfs/dbraw/zinc/64/78/10/1203647810.db2.gz UPQSVUVHOZFEHS-UHFFFAOYSA-N 0 3 308.853 3.112 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC001717473175 1203655129 /nfs/dbraw/zinc/65/51/29/1203655129.db2.gz VVPVRXHOSCFUST-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC001717474168 1203656055 /nfs/dbraw/zinc/65/60/55/1203656055.db2.gz GZKHFJPAYYRKSD-MRXNPFEDSA-N 0 3 318.461 3.296 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001717474488 1203656364 /nfs/dbraw/zinc/65/63/64/1203656364.db2.gz NRCWMBYRPZZTLE-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(C)c(OC)c1 ZINC001717482355 1203658450 /nfs/dbraw/zinc/65/84/50/1203658450.db2.gz AYWZCAYSAGKBSR-HNNXBMFYSA-N 0 3 318.461 3.152 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001717483096 1203659259 /nfs/dbraw/zinc/65/92/59/1203659259.db2.gz HVKOYVUMWMECBZ-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1ccccc1F ZINC001717487242 1203661485 /nfs/dbraw/zinc/66/14/85/1203661485.db2.gz QCBBCNGPCOUOER-DNVCBOLYSA-N 0 3 320.452 3.407 20 30 DGEDHN CCCC[C@H](CNCC=C(Cl)Cl)NC(=O)C#CC(C)C ZINC001717530155 1203673428 /nfs/dbraw/zinc/67/34/28/1203673428.db2.gz JKULGBPGAAUTPM-CYBMUJFWSA-N 0 3 319.276 3.229 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717551048 1203679917 /nfs/dbraw/zinc/67/99/17/1203679917.db2.gz LFSKDTGQSYYEIE-LBPRGKRZSA-N 0 3 314.420 3.071 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C(C)(C)C1 ZINC001717588532 1203687850 /nfs/dbraw/zinc/68/78/50/1203687850.db2.gz CEQNIRGGVHDOFA-FQQSSWHASA-N 0 3 324.468 3.248 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001717650933 1203694667 /nfs/dbraw/zinc/69/46/67/1203694667.db2.gz KCKPLBCIVXLINC-QEJZJMRPSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC001717676013 1203697254 /nfs/dbraw/zinc/69/72/54/1203697254.db2.gz ZOKKEFFQALAALF-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN CCC1(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)CCC1 ZINC001717737248 1203707126 /nfs/dbraw/zinc/70/71/26/1203707126.db2.gz AUZZZPDVZDUULX-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001717737466 1203707243 /nfs/dbraw/zinc/70/72/43/1203707243.db2.gz GKRMPHYBMKJIFP-IUODEOHRSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001717794175 1203712858 /nfs/dbraw/zinc/71/28/58/1203712858.db2.gz TZHYETVROXKIRJ-NEPJUHHUSA-N 0 3 305.249 3.241 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3ccc(CC)cc23)C1 ZINC001717812597 1203715502 /nfs/dbraw/zinc/71/55/02/1203715502.db2.gz IUDNUXPJTDEJIG-GDBMZVCRSA-N 0 3 324.424 3.211 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCCC3CCCC3)CCC[C@H]12 ZINC001717841353 1203719495 /nfs/dbraw/zinc/71/94/95/1203719495.db2.gz QDLLENJQACCLPP-AZUAARDMSA-N 0 3 316.489 3.483 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H]1C ZINC001717854802 1203721936 /nfs/dbraw/zinc/72/19/36/1203721936.db2.gz YVZPURVCILVSRZ-STQMWFEESA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(C)cc2C)[C@H]1C ZINC001717855752 1203723080 /nfs/dbraw/zinc/72/30/80/1203723080.db2.gz JVIFSYIGEYVBOE-IEBWSBKVSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2ccsc2[nH]1)C(C)C ZINC001717949228 1203733177 /nfs/dbraw/zinc/73/31/77/1203733177.db2.gz QFCBYKXNXMEJCI-UHFFFAOYSA-N 0 3 305.447 3.198 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1cccc(Cl)c1)C(C)C ZINC001717950791 1203733833 /nfs/dbraw/zinc/73/38/33/1203733833.db2.gz VIHDKMYEESJGLL-UHFFFAOYSA-N 0 3 308.853 3.237 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001717981023 1203739558 /nfs/dbraw/zinc/73/95/58/1203739558.db2.gz VCZURPKOALHALV-SJLPKXTDSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CCN(Cc2ccccn2)CC1 ZINC001717983643 1203740073 /nfs/dbraw/zinc/74/00/73/1203740073.db2.gz JQUJJHRLIYDJNK-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCCCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001717995655 1203741588 /nfs/dbraw/zinc/74/15/88/1203741588.db2.gz WMSSXTKQUJLPEH-UHFFFAOYSA-N 0 3 316.420 3.098 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001752991062 1203947854 /nfs/dbraw/zinc/94/78/54/1203947854.db2.gz MBYYXEKCKZENHU-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001723430025 1203971088 /nfs/dbraw/zinc/97/10/88/1203971088.db2.gz UPGUSZIIZBODIB-WMZOPIPTSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001723464153 1203975231 /nfs/dbraw/zinc/97/52/31/1203975231.db2.gz OWEQPZIQACLBFH-HZPDHXFCSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001723473745 1203977712 /nfs/dbraw/zinc/97/77/12/1203977712.db2.gz SVRTXHNEKUXLOY-ZCYBBYNQSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001723485700 1203978818 /nfs/dbraw/zinc/97/88/18/1203978818.db2.gz YNMXIBFATZZWRL-ZWKOTPCHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CCCC)CC2)C1 ZINC001723598120 1203983333 /nfs/dbraw/zinc/98/33/33/1203983333.db2.gz YDRBYHRWTPUDPH-MRXNPFEDSA-N 0 3 312.885 3.490 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(CC(C)C)CCC3)C2)C1 ZINC001723678984 1203988302 /nfs/dbraw/zinc/98/83/02/1203988302.db2.gz HOTJWUJCFAHURZ-LJQANCHMSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](CC)CCCCC)C2)C1 ZINC001723727798 1203990323 /nfs/dbraw/zinc/99/03/23/1203990323.db2.gz WSQCWMYNRVHOSF-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCC(=O)N1CCC[C@@H]1CNCC#Cc1ccc(Cl)cc1 ZINC001723877033 1203997344 /nfs/dbraw/zinc/99/73/44/1203997344.db2.gz SEKHTHOUDRMCJF-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN CC[C@@H](C)C(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001723995589 1204000489 /nfs/dbraw/zinc/00/04/89/1204000489.db2.gz HYEMGPIRSLCVPX-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C(/C)CC)C2 ZINC001724125062 1204006325 /nfs/dbraw/zinc/00/63/25/1204006325.db2.gz ACGNRHRRESDBDI-RBAUTDOXSA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C(\C)CC)C2 ZINC001724125059 1204006438 /nfs/dbraw/zinc/00/64/38/1204006438.db2.gz ACGNRHRRESDBDI-DQSGYLJSSA-N 0 3 302.462 3.071 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001724173847 1204011085 /nfs/dbraw/zinc/01/10/85/1204011085.db2.gz NWQVZRLMVRVPAV-LPHOPBHVSA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)noc2C(C)C)C1 ZINC001724325204 1204021922 /nfs/dbraw/zinc/02/19/22/1204021922.db2.gz WPTOMBMJHUZWSF-SFHVURJKSA-N 0 3 319.449 3.124 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001724334163 1204022944 /nfs/dbraw/zinc/02/29/44/1204022944.db2.gz SMYISRGEUCZQHI-WMLDXEAASA-N 0 3 306.475 3.256 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(C)cccc2C)C1 ZINC001724333508 1204023158 /nfs/dbraw/zinc/02/31/58/1204023158.db2.gz OLNGPKDRCNICCF-LJQANCHMSA-N 0 3 300.446 3.321 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC001724344296 1204024493 /nfs/dbraw/zinc/02/44/93/1204024493.db2.gz YYLHBTDFQKWRBP-KRWDZBQOSA-N 0 3 306.837 3.358 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001724617486 1204033802 /nfs/dbraw/zinc/03/38/02/1204033802.db2.gz IYRBWBHBXCIBTR-IYBDPMFKSA-N 0 3 318.848 3.196 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC001724720633 1204039849 /nfs/dbraw/zinc/03/98/49/1204039849.db2.gz LGNFUTUQMRTCPX-AWEZNQCLSA-N 0 3 323.868 3.332 20 30 DGEDHN CC[C@@H](F)CN[C@@H](C)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001724741282 1204041641 /nfs/dbraw/zinc/04/16/41/1204041641.db2.gz IWBXDSNRKBVZIM-KBXCAEBGSA-N 0 3 316.420 3.115 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2CCC)cc1 ZINC001724743563 1204042615 /nfs/dbraw/zinc/04/26/15/1204042615.db2.gz FHMJVLWPBPRSLI-ATZDWAIDSA-N 0 3 312.457 3.413 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)[C@H](C)C3CC3)cccc2C1 ZINC001724776564 1204045255 /nfs/dbraw/zinc/04/52/55/1204045255.db2.gz KJZUJJIMJCJQPP-OAHLLOKOSA-N 0 3 312.457 3.283 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001724782951 1204046757 /nfs/dbraw/zinc/04/67/57/1204046757.db2.gz BSNQRUHYRLHBFS-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3cc(C)c(C)cc3o2)CCC1 ZINC001724797934 1204048712 /nfs/dbraw/zinc/04/87/12/1204048712.db2.gz DSXCDTGLIOEHOH-UHFFFAOYSA-N 0 3 324.424 3.315 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001724860265 1204060056 /nfs/dbraw/zinc/06/00/56/1204060056.db2.gz HHLJTRQNEQAQON-ROUUACIJSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001724860262 1204060150 /nfs/dbraw/zinc/06/01/50/1204060150.db2.gz HHLJTRQNEQAQON-QZTJIDSGSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CCCN(CC#CC)C1 ZINC001724865838 1204060897 /nfs/dbraw/zinc/06/08/97/1204060897.db2.gz HIPPEEXXZAKFOY-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001724864566 1204060983 /nfs/dbraw/zinc/06/09/83/1204060983.db2.gz UGXQTNYQZHIWME-QZTJIDSGSA-N 0 3 322.468 3.100 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C2 ZINC001724901540 1204065352 /nfs/dbraw/zinc/06/53/52/1204065352.db2.gz SLQMRRSYFMPGPE-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCCCC ZINC001725032217 1204082119 /nfs/dbraw/zinc/08/21/19/1204082119.db2.gz DGBWJCBGMSQVNN-UYAOXDASSA-N 0 3 312.457 3.352 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2ccncc2s1 ZINC001725041916 1204084164 /nfs/dbraw/zinc/08/41/64/1204084164.db2.gz PPPTWNREJGPFFZ-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1cc2ccccc2o1 ZINC001725043077 1204084770 /nfs/dbraw/zinc/08/47/70/1204084770.db2.gz SILSCLAELHFFKH-MRXNPFEDSA-N 0 3 312.413 3.084 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001725063667 1204088318 /nfs/dbraw/zinc/08/83/18/1204088318.db2.gz LSJUUHWQRYDKGJ-UHFFFAOYSA-N 0 3 321.852 3.056 20 30 DGEDHN C#CCC1(C(=O)NC2CC(CNCC(=C)Cl)C2)CCCCC1 ZINC001725075254 1204089693 /nfs/dbraw/zinc/08/96/93/1204089693.db2.gz FMNMYLXZWFHJEJ-UHFFFAOYSA-N 0 3 322.880 3.197 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC001725080915 1204090415 /nfs/dbraw/zinc/09/04/15/1204090415.db2.gz BLGPRMGSUGKNDU-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN CCCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001725079952 1204090488 /nfs/dbraw/zinc/09/04/88/1204090488.db2.gz KACJNYCKUSJYMY-HZPDHXFCSA-N 0 3 318.436 3.240 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001725111659 1204097199 /nfs/dbraw/zinc/09/71/99/1204097199.db2.gz URFTUPAUCDUNIP-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)Cc1ccc(C2CCC2)cc1 ZINC001725158934 1204106135 /nfs/dbraw/zinc/10/61/35/1204106135.db2.gz HMCIQKUREQNMAY-INIZCTEOSA-N 0 3 324.468 3.304 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1C ZINC001725161563 1204107594 /nfs/dbraw/zinc/10/75/94/1204107594.db2.gz YAIBNGDXURZPIG-OAHLLOKOSA-N 0 3 320.864 3.388 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725177283 1204111856 /nfs/dbraw/zinc/11/18/56/1204111856.db2.gz LQTZWCRHKVTQGP-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)F ZINC001725229436 1204122186 /nfs/dbraw/zinc/12/21/86/1204122186.db2.gz PYJKTZCQFDZIED-KRWDZBQOSA-N 0 3 318.436 3.051 20 30 DGEDHN C[C@H](NC(=O)C#CC(C)(C)C)C1CN([C@@H]2CCc3ccccc32)C1 ZINC001725248129 1204127554 /nfs/dbraw/zinc/12/75/54/1204127554.db2.gz MIYCJTYYMGLRPC-HNAYVOBHSA-N 0 3 324.468 3.160 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](CCC)CC(C)C)C[C@]2(C)C1 ZINC001725347091 1204139786 /nfs/dbraw/zinc/13/97/86/1204139786.db2.gz LNDMMSJAWKMLJS-RLLQIKCJSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001725363415 1204141046 /nfs/dbraw/zinc/14/10/46/1204141046.db2.gz CZRCEEZEPZJLKD-JCNLHEQBSA-N 0 3 320.864 3.490 20 30 DGEDHN CCCCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001725473837 1204155117 /nfs/dbraw/zinc/15/51/17/1204155117.db2.gz FYKUVNQMXVOVDJ-HNNXBMFYSA-N 0 3 320.864 3.318 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001725573939 1204169542 /nfs/dbraw/zinc/16/95/42/1204169542.db2.gz UGNOYYVMTNURQG-QAPCUYQASA-N 0 3 316.420 3.098 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001725597376 1204175386 /nfs/dbraw/zinc/17/53/86/1204175386.db2.gz IDXOHYPKSYNCTM-UKRRQHHQSA-N 0 3 316.445 3.101 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCc3cccc(C)c3)CCC[C@@H]12 ZINC001725606971 1204178802 /nfs/dbraw/zinc/17/88/02/1204178802.db2.gz JKQBTIBWKLVNOO-TZIWHRDSSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCc2ccccc2F)[C@@H]1C ZINC001725626884 1204184351 /nfs/dbraw/zinc/18/43/51/1204184351.db2.gz ASUOOLCRLXNWQY-CRAIPNDOSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN(C)CCN(C(=O)COc1cc(C)ccc1C)C(C)C ZINC001725732669 1204204821 /nfs/dbraw/zinc/20/48/21/1204204821.db2.gz KEDBVOROPODKIX-UHFFFAOYSA-N 0 3 318.461 3.037 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)[C@H](C)CC)c(F)c1 ZINC001725832762 1204229497 /nfs/dbraw/zinc/22/94/97/1204229497.db2.gz GGHCONZXEJJYIW-ZIAGYGMSSA-N 0 3 306.425 3.400 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001753146377 1204323686 /nfs/dbraw/zinc/32/36/86/1204323686.db2.gz SQXPKEGKUJZDIZ-ZWKOTPCHSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccccc1C(C)(C)C ZINC001731247755 1204353134 /nfs/dbraw/zinc/35/31/34/1204353134.db2.gz QLYNIQNLGTZKCR-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001731295800 1204365522 /nfs/dbraw/zinc/36/55/22/1204365522.db2.gz XHEOIDCBDDWNAY-CABCVRRESA-N 0 3 323.868 3.059 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001731295801 1204365867 /nfs/dbraw/zinc/36/58/67/1204365867.db2.gz XHEOIDCBDDWNAY-GJZGRUSLSA-N 0 3 323.868 3.059 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C1CC1 ZINC001731341301 1204378261 /nfs/dbraw/zinc/37/82/61/1204378261.db2.gz SMQKMPOCHHCZBI-VQTJNVASSA-N 0 3 324.468 3.093 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc2c(cccc2C)o1)C1CC1 ZINC001731345569 1204379858 /nfs/dbraw/zinc/37/98/58/1204379858.db2.gz FKLZMXPUFXYHHD-UHFFFAOYSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001731372383 1204387315 /nfs/dbraw/zinc/38/73/15/1204387315.db2.gz PRSOIIUZVOMPLV-AWEZNQCLSA-N 0 3 306.475 3.471 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001731402738 1204398554 /nfs/dbraw/zinc/39/85/54/1204398554.db2.gz NKSKEBPVQCVWJP-LLVKDONJSA-N 0 3 305.249 3.002 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001731424584 1204408683 /nfs/dbraw/zinc/40/86/83/1204408683.db2.gz JVIAWWZGAFOFKL-XLAORIBOSA-N 0 3 315.461 3.079 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC(F)(F)F ZINC001731428500 1204409995 /nfs/dbraw/zinc/40/99/95/1204409995.db2.gz HELBLKIBFSTZKC-MCIONIFRSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001731474155 1204425007 /nfs/dbraw/zinc/42/50/07/1204425007.db2.gz MYPODIZKPLVJGO-BETUJISGSA-N 0 3 310.800 3.182 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001731506326 1204438097 /nfs/dbraw/zinc/43/80/97/1204438097.db2.gz BIBAYKFKICOQER-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001731537228 1204449213 /nfs/dbraw/zinc/44/92/13/1204449213.db2.gz IRNIHMGSWLBUKL-HNNXBMFYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001731543275 1204453743 /nfs/dbraw/zinc/45/37/43/1204453743.db2.gz VNEJAYGPQGIYNK-ROUUACIJSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCCCCC(C)C)C1 ZINC001731560343 1204461848 /nfs/dbraw/zinc/46/18/48/1204461848.db2.gz VRQBNHVGVDHRLS-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@H](CNC(=O)C1(C)CCCCC1)NCc1ccc(C#N)s1 ZINC001731615359 1204483594 /nfs/dbraw/zinc/48/35/94/1204483594.db2.gz NYFGXBPWPDTSQJ-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2Cl ZINC001731765249 1204544917 /nfs/dbraw/zinc/54/49/17/1204544917.db2.gz CZCDHKIWUVSCRK-MRXNPFEDSA-N 0 3 306.837 3.342 20 30 DGEDHN Cc1cc(CN2CCC[C@@H]2CNC(=O)C#CC(C)C)c(C)s1 ZINC001731823659 1204586911 /nfs/dbraw/zinc/58/69/11/1204586911.db2.gz IDVALKPBNDULQK-QGZVFWFLSA-N 0 3 318.486 3.105 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN(Cc3cccc(F)c3)C2)C1 ZINC001731853406 1204602575 /nfs/dbraw/zinc/60/25/75/1204602575.db2.gz CGLDYTFGEVNHJI-MRXNPFEDSA-N 0 3 316.420 3.120 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001731865623 1204610431 /nfs/dbraw/zinc/61/04/31/1204610431.db2.gz CHCZFKSHESTHBI-ABHNRTSZSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(CCC)cc1 ZINC001731868212 1204610795 /nfs/dbraw/zinc/61/07/95/1204610795.db2.gz FCEABLSILHREOW-UHFFFAOYSA-N 0 3 300.446 3.104 20 30 DGEDHN Cc1cc(C)cc(CN(CCNC(=O)C#CC(C)C)C2CC2)c1 ZINC001731875325 1204618498 /nfs/dbraw/zinc/61/84/98/1204618498.db2.gz LZPNJXNZSHLSOE-UHFFFAOYSA-N 0 3 312.457 3.043 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC1=CCCCC1)C1CC1 ZINC001731879069 1204619805 /nfs/dbraw/zinc/61/98/05/1204619805.db2.gz INBZJSJKIVKRIE-UHFFFAOYSA-N 0 3 302.462 3.261 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(c2ccccc2C)CC1)C1CC1 ZINC001731884061 1204623121 /nfs/dbraw/zinc/62/31/21/1204623121.db2.gz REGKYBIQWKQLMQ-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN CCCC1(C(=O)N(C)CCNCc2ccc(C#N)cc2)CCC1 ZINC001731943206 1204632747 /nfs/dbraw/zinc/63/27/47/1204632747.db2.gz ALPLSOWOJULFNB-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001731951013 1204635126 /nfs/dbraw/zinc/63/51/26/1204635126.db2.gz UXAUSCIOZQCEHA-QGZVFWFLSA-N 0 3 310.388 3.115 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccnc(C2CC2)c1)c1ccccc1 ZINC001732021233 1204652564 /nfs/dbraw/zinc/65/25/64/1204652564.db2.gz CRRDGMLIKWRYJQ-IBGZPJMESA-N 0 3 321.424 3.206 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccnc(C)c1)c1ccccc1 ZINC001732024289 1204653455 /nfs/dbraw/zinc/65/34/55/1204653455.db2.gz JPTQBWGTHCBRAJ-SFHVURJKSA-N 0 3 309.413 3.027 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)ccc1C)c1ccccc1 ZINC001732026493 1204654065 /nfs/dbraw/zinc/65/40/65/1204654065.db2.gz VXJHWWQAJAJJEM-FQEVSTJZSA-N 0 3 320.436 3.387 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2C=CC=CC=C2)C1 ZINC001732038042 1204660023 /nfs/dbraw/zinc/66/00/23/1204660023.db2.gz BJMNTNYFARJYFN-GOSISDBHSA-N 0 3 300.446 3.174 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(Cc2cncs2)C1 ZINC001732053592 1204671284 /nfs/dbraw/zinc/67/12/84/1204671284.db2.gz OENXBLLYDYDRCH-WMLDXEAASA-N 0 3 321.490 3.074 20 30 DGEDHN CC1(CC(=O)NCC[C@@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC001732057010 1204673368 /nfs/dbraw/zinc/67/33/68/1204673368.db2.gz XUQOWBQFHJPRAP-LJQANCHMSA-N 0 3 324.468 3.057 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1C ZINC001732142671 1204711258 /nfs/dbraw/zinc/71/12/58/1204711258.db2.gz VOEHJIIOARNZBY-KKUMJFAQSA-N 0 3 304.459 3.310 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001732147347 1204712906 /nfs/dbraw/zinc/71/29/06/1204712906.db2.gz MKORKIIKIXAXOZ-OALUTQOASA-N 0 3 312.457 3.261 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001732153117 1204715522 /nfs/dbraw/zinc/71/55/22/1204715522.db2.gz KIHVCHRUZNQEKT-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001732163103 1204720929 /nfs/dbraw/zinc/72/09/29/1204720929.db2.gz NZJDPVHCZDPFOE-PYTPGESOSA-N 0 3 316.420 3.338 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1)OCC ZINC001732182105 1204736245 /nfs/dbraw/zinc/73/62/45/1204736245.db2.gz JWIOFJBCDPDULI-ZWKOTPCHSA-N 0 3 322.493 3.247 20 30 DGEDHN CC[C@H](CNC(=O)C=C(C)C)NCC#Cc1ccccc1Cl ZINC001732193149 1204743459 /nfs/dbraw/zinc/74/34/59/1204743459.db2.gz VEWDBLFRYCEQIO-MRXNPFEDSA-N 0 3 318.848 3.142 20 30 DGEDHN CCC(=CC(=O)NC[C@H](CC)NCc1ccc(C#N)s1)CC ZINC001732197611 1204745410 /nfs/dbraw/zinc/74/54/10/1204745410.db2.gz VLWBIBTWLUNHAA-AWEZNQCLSA-N 0 3 319.474 3.351 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2ccc(Cl)nc2)C1 ZINC001732209483 1204750845 /nfs/dbraw/zinc/75/08/45/1204750845.db2.gz BZZZSBIHQFQRTF-CQSZACIVSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccccc2OC)CCCC1 ZINC001732234966 1204763796 /nfs/dbraw/zinc/76/37/96/1204763796.db2.gz SVVHKYIRADGRAE-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H]1C=CCCC1)C1CC1 ZINC001732245681 1204769001 /nfs/dbraw/zinc/76/90/01/1204769001.db2.gz OSUMZDKRFUQJJV-RHSMWYFYSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1cccc(C)c1)C1CC1 ZINC001732248419 1204769656 /nfs/dbraw/zinc/76/96/56/1204769656.db2.gz JVTJJTYYDOUFSP-SFHVURJKSA-N 0 3 320.864 3.165 20 30 DGEDHN CCCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1Cl ZINC001732325283 1204792264 /nfs/dbraw/zinc/79/22/64/1204792264.db2.gz VQXZLKAERUSHKO-MRXNPFEDSA-N 0 3 318.848 3.072 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl)CC1 ZINC001732363916 1204806540 /nfs/dbraw/zinc/80/65/40/1204806540.db2.gz WKZKTHHFLYNFFG-FUEWVNAISA-N 0 3 319.276 3.394 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001732434079 1204838680 /nfs/dbraw/zinc/83/86/80/1204838680.db2.gz BEKLMQQJOFICEQ-SFHVURJKSA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCCC(=O)N1CCC(CCN(C)Cc2cnc(C)o2)CC1 ZINC001732548154 1204888639 /nfs/dbraw/zinc/88/86/39/1204888639.db2.gz ZDHTZOAHSMYWHA-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN CC(C)C(=O)NC[C@H](NCC#Cc1ccccc1Cl)C(C)C ZINC001732557503 1204895821 /nfs/dbraw/zinc/89/58/21/1204895821.db2.gz ZLBBCMHDCQZJNT-KRWDZBQOSA-N 0 3 320.864 3.078 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001732588378 1204911014 /nfs/dbraw/zinc/91/10/14/1204911014.db2.gz KETQMFURYOFCAF-QGZVFWFLSA-N 0 3 318.436 3.415 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(F)cc(C)cc1F ZINC001732708553 1204932315 /nfs/dbraw/zinc/93/23/15/1204932315.db2.gz BWRLFLPHTSTAAW-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(Cl)cn1CC ZINC001732753074 1204938048 /nfs/dbraw/zinc/93/80/48/1204938048.db2.gz JJKFSHAKPGERFM-LLVKDONJSA-N 0 3 318.248 3.012 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001732795097 1204945005 /nfs/dbraw/zinc/94/50/05/1204945005.db2.gz KYAFRNIQFZXFFX-IBGZPJMESA-N 0 3 313.445 3.099 20 30 DGEDHN Cc1cc(CNC/C=C\CNC(=O)C#CC(C)(C)C)c(C)s1 ZINC001732851099 1204951751 /nfs/dbraw/zinc/95/17/51/1204951751.db2.gz ZVEJYZROHFCZSW-SREVYHEPSA-N 0 3 318.486 3.176 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1ccnc(Cl)c1 ZINC001732855186 1204952060 /nfs/dbraw/zinc/95/20/60/1204952060.db2.gz HJUPJLXGGUYIBI-WAYWQWQTSA-N 0 3 321.852 3.099 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CNCc1csc(C)c1 ZINC001732888473 1204955037 /nfs/dbraw/zinc/95/50/37/1204955037.db2.gz FFRYJJPWJWVSGI-BQYQJAHWSA-N 0 3 304.459 3.012 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](C)CNCc1cccnc1)c1ccccc1 ZINC001733027841 1204986831 /nfs/dbraw/zinc/98/68/31/1204986831.db2.gz VSSGQFUELFYPPD-WMZOPIPTSA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001733068832 1205016071 /nfs/dbraw/zinc/01/60/71/1205016071.db2.gz SNJCUUSFJKKHNB-WBVHZDCISA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001733224503 1205055330 /nfs/dbraw/zinc/05/53/30/1205055330.db2.gz AWPGNPBCNNGEGV-JKSUJKDBSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001733227896 1205058049 /nfs/dbraw/zinc/05/80/49/1205058049.db2.gz WCSWGEKWNQZNOD-CQSZACIVSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001733227894 1205058349 /nfs/dbraw/zinc/05/83/49/1205058349.db2.gz WCSWGEKWNQZNOD-AWEZNQCLSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1ccc(CC)cc1 ZINC001733232937 1205060649 /nfs/dbraw/zinc/06/06/49/1205060649.db2.gz NGAOREQYPCYNKW-LJQANCHMSA-N 0 3 314.473 3.338 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(N[C@@H](C)c3cccc(F)c3)CC2)C1 ZINC001733255754 1205070957 /nfs/dbraw/zinc/07/09/57/1205070957.db2.gz SVGPZPFRGCNTBU-AWEZNQCLSA-N 0 3 316.420 3.481 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCc1scnc1C ZINC001733349702 1205102146 /nfs/dbraw/zinc/10/21/46/1205102146.db2.gz ZJQXDUCTXQAIIU-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN CC1(NC(=O)C#CC2CC2)CCN(C/C=C/c2ccccc2)CC1 ZINC001733358868 1205105010 /nfs/dbraw/zinc/10/50/10/1205105010.db2.gz WRBMOGJZWIXNAN-VMPITWQZSA-N 0 3 322.452 3.084 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@@H](C)c2cccc(F)c2)CC1 ZINC001733359698 1205105924 /nfs/dbraw/zinc/10/59/24/1205105924.db2.gz DOZYPEOPGLSFPN-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CC2CCCCCC2)CC1 ZINC001733361056 1205106278 /nfs/dbraw/zinc/10/62/78/1205106278.db2.gz JWZDNOQFVKRKHP-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)s1)C1CCN(CC(=C)C)CC1 ZINC001733362411 1205106369 /nfs/dbraw/zinc/10/63/69/1205106369.db2.gz CFPHWLWSNYKBIE-UHFFFAOYSA-N 0 3 316.470 3.172 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(CF)cc2)C1 ZINC001733467961 1205147128 /nfs/dbraw/zinc/14/71/28/1205147128.db2.gz KECGLXCPBLAYRR-LJQANCHMSA-N 0 3 316.420 3.011 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H](C)CCCC)C2)CC1 ZINC001733513143 1205151119 /nfs/dbraw/zinc/15/11/19/1205151119.db2.gz KEEQVYQINJLKKL-PKOBYXMFSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)CCC(C)C)C2)CC1 ZINC001733515255 1205151189 /nfs/dbraw/zinc/15/11/89/1205151189.db2.gz UWJNSDQENOWPFU-IBGZPJMESA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)C1CCC1 ZINC001733573094 1205166153 /nfs/dbraw/zinc/16/61/53/1205166153.db2.gz ZYIGUDDBJDNFEX-KRWDZBQOSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@@H](F)CC ZINC001733602499 1205171264 /nfs/dbraw/zinc/17/12/64/1205171264.db2.gz WGRWSICCZOKLPG-ARFHVFGLSA-N 0 3 310.457 3.402 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001733647659 1205176679 /nfs/dbraw/zinc/17/66/79/1205176679.db2.gz QYBGEPFTMCLUEJ-AWEZNQCLSA-N 0 3 310.825 3.091 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001733661094 1205177987 /nfs/dbraw/zinc/17/79/87/1205177987.db2.gz NNGFYOMZBXSXJO-CABCVRRESA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001733661101 1205178173 /nfs/dbraw/zinc/17/81/73/1205178173.db2.gz NNGFYOMZBXSXJO-LSDHHAIUSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001733661098 1205178275 /nfs/dbraw/zinc/17/82/75/1205178275.db2.gz NNGFYOMZBXSXJO-HUUCEWRRSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001733676182 1205180939 /nfs/dbraw/zinc/18/09/39/1205180939.db2.gz LHHJVSCRDGNVIK-XGHPGWEVSA-N 0 3 324.896 3.393 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2CC3(CCC3)C2)cc1 ZINC001733685035 1205184726 /nfs/dbraw/zinc/18/47/26/1205184726.db2.gz SRNRYTROKXCPFT-OAHLLOKOSA-N 0 3 310.441 3.167 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2scnc2C)CC1 ZINC001733759157 1205201239 /nfs/dbraw/zinc/20/12/39/1205201239.db2.gz CUMZGCADMHKEIF-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001733774886 1205210273 /nfs/dbraw/zinc/21/02/73/1205210273.db2.gz IVPJOHSBZDIUKW-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2c(cccc2F)s1 ZINC001733780664 1205216735 /nfs/dbraw/zinc/21/67/35/1205216735.db2.gz MEOCTVJTJKCGST-UHFFFAOYSA-N 0 3 318.417 3.068 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001733783147 1205218790 /nfs/dbraw/zinc/21/87/90/1205218790.db2.gz WORRNOARDPLCGP-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001733891059 1205242024 /nfs/dbraw/zinc/24/20/24/1205242024.db2.gz DZONGEOHPBLIFI-CJNGLKHVSA-N 0 3 306.475 3.492 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C[C@@H]1C ZINC001733904303 1205249606 /nfs/dbraw/zinc/24/96/06/1205249606.db2.gz ZNZLQNIVZFPADJ-PKOBYXMFSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001733908332 1205250753 /nfs/dbraw/zinc/25/07/53/1205250753.db2.gz UOEFWVCHZBYILN-BEFAXECRSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001733908335 1205250972 /nfs/dbraw/zinc/25/09/72/1205250972.db2.gz UOEFWVCHZBYILN-KXBFYZLASA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1cccc(Cl)c1F ZINC001733937322 1205265361 /nfs/dbraw/zinc/26/53/61/1205265361.db2.gz ZGNUUDXVGDZUNN-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001733994590 1205282292 /nfs/dbraw/zinc/28/22/92/1205282292.db2.gz IGFZAPTXCZYFJH-QWRGUYRKSA-N 0 3 307.265 3.391 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001734020217 1205290445 /nfs/dbraw/zinc/29/04/45/1205290445.db2.gz NWDCAGTYPNPSRJ-ZIAGYGMSSA-N 0 3 324.852 3.210 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1cccc(Cl)c1 ZINC001734032783 1205297048 /nfs/dbraw/zinc/29/70/48/1205297048.db2.gz AQNNRDXYZFTANM-CQSZACIVSA-N 0 3 320.864 3.326 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001734036463 1205298871 /nfs/dbraw/zinc/29/88/71/1205298871.db2.gz LMFBOPUROBRELC-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN C#CCCCCC(=O)NC1(CNCC(=C)Cl)CCCCC1 ZINC001734089125 1205319018 /nfs/dbraw/zinc/31/90/18/1205319018.db2.gz WWFRRVXYICNFKD-UHFFFAOYSA-N 0 3 310.869 3.341 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC001734105572 1205325643 /nfs/dbraw/zinc/32/56/43/1205325643.db2.gz FIDXQBNOZQMVKN-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001734124683 1205330513 /nfs/dbraw/zinc/33/05/13/1205330513.db2.gz WRLQTADAXOHVQP-LBPRGKRZSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001734124260 1205330664 /nfs/dbraw/zinc/33/06/64/1205330664.db2.gz OCJGOFMUQMHIAA-CVEARBPZSA-N 0 3 314.473 3.365 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001734131562 1205331778 /nfs/dbraw/zinc/33/17/78/1205331778.db2.gz QYIHNSMJMUXRLW-MRXNPFEDSA-N 0 3 312.457 3.039 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001734145403 1205334430 /nfs/dbraw/zinc/33/44/30/1205334430.db2.gz JHOXPZMPGMCKRF-QGZVFWFLSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](CC)CC(F)F)C(C)(C)C1 ZINC001734146230 1205334442 /nfs/dbraw/zinc/33/44/42/1205334442.db2.gz PHBADRWLQNIIKV-OLZOCXBDSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)cc2C)C(C)(C)C1 ZINC001734148990 1205335122 /nfs/dbraw/zinc/33/51/22/1205335122.db2.gz FYJCUOKBSIZBFS-GOSISDBHSA-N 0 3 314.473 3.249 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](CCC)CC(C)C)C(C)(C)C1 ZINC001734152880 1205337042 /nfs/dbraw/zinc/33/70/42/1205337042.db2.gz GRBXURHCXKSTLL-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001734212402 1205344396 /nfs/dbraw/zinc/34/43/96/1205344396.db2.gz JXSVSMIEIKUDHW-VGWMRTNUSA-N 0 3 324.896 3.462 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001734215366 1205344615 /nfs/dbraw/zinc/34/46/15/1205344615.db2.gz KXBYUCKDEQTJST-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC(N(C)CCF)CC1)c1ccccc1 ZINC001734273353 1205354582 /nfs/dbraw/zinc/35/45/82/1205354582.db2.gz LTLPAKHCOHSIGL-SFHVURJKSA-N 0 3 318.436 3.239 20 30 DGEDHN CCC(=CC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1)CC ZINC001734321041 1205364020 /nfs/dbraw/zinc/36/40/20/1205364020.db2.gz CBODPRPNJYFYOG-KRWDZBQOSA-N 0 3 312.457 3.221 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CCCC)cc2)C1 ZINC001734414748 1205374170 /nfs/dbraw/zinc/37/41/70/1205374170.db2.gz ABGHZWCKYAHNNQ-QFBILLFUSA-N 0 3 312.457 3.245 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CCCC)cc2)C1 ZINC001734414746 1205374257 /nfs/dbraw/zinc/37/42/57/1205374257.db2.gz ABGHZWCKYAHNNQ-LPHOPBHVSA-N 0 3 312.457 3.245 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)CC(C)(C)C)CCC[C@H]12 ZINC001734441532 1205377833 /nfs/dbraw/zinc/37/78/33/1205377833.db2.gz PJFKXEOPVCFUCM-TXPKVOOTSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)C/C=C\Cc2ccccc2)[C@H]1C ZINC001734460410 1205381904 /nfs/dbraw/zinc/38/19/04/1205381904.db2.gz PSNOHNCEOHVRNH-UKPUQTQTSA-N 0 3 312.457 3.331 20 30 DGEDHN CCCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC001734488417 1205386312 /nfs/dbraw/zinc/38/63/12/1205386312.db2.gz HWEVEXCRRQSATN-HNNXBMFYSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H](NC[C@@H](F)CC)C(C)(C)C2)CC1 ZINC001734499304 1205387741 /nfs/dbraw/zinc/38/77/41/1205387741.db2.gz CLIYZONIJNFTNL-HOTGVXAUSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN(C)CCN(C(=O)COc1c(C)cccc1C)C(C)C ZINC001734554054 1205392308 /nfs/dbraw/zinc/39/23/08/1205392308.db2.gz APHJYYFMQWOLHN-UHFFFAOYSA-N 0 3 318.461 3.037 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)/C=C/C(C)(C)C ZINC001666869731 1197292555 /nfs/dbraw/zinc/29/25/55/1197292555.db2.gz DOSKMSGZWPEUEH-XEHSLEBBSA-N 0 3 319.474 3.159 20 30 DGEDHN CCC[C@@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001669411414 1197453680 /nfs/dbraw/zinc/45/36/80/1197453680.db2.gz HSPVURUKHNWEFT-CZUORRHYSA-N 0 3 321.490 3.286 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCC(F)F)C1 ZINC001732273758 1204777705 /nfs/dbraw/zinc/77/77/05/1204777705.db2.gz JPHQDPAOZDQHKX-GFCCVEGCSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)CC(F)F ZINC001226730855 1096762464 /nfs/dbraw/zinc/76/24/64/1096762464.db2.gz PJUHQENFRWKAAO-YNEHKIRRSA-N 0 3 322.827 3.437 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001169539348 1081586074 /nfs/dbraw/zinc/58/60/74/1081586074.db2.gz HVTJVAYDCGBNIV-SJLPKXTDSA-N 0 3 312.457 3.063 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001480861873 1081589910 /nfs/dbraw/zinc/58/99/10/1081589910.db2.gz QHMMJRREJYHHOI-AWEZNQCLSA-N 0 3 306.837 3.108 20 30 DGEDHN C=CCCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001211499852 1081629153 /nfs/dbraw/zinc/62/91/53/1081629153.db2.gz UZYSRNJMSFNDHL-ZIAGYGMSSA-N 0 3 321.490 3.283 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1csc(CC)n1 ZINC001169696407 1081631250 /nfs/dbraw/zinc/63/12/50/1081631250.db2.gz HECGYWJXGMGQQK-AWEZNQCLSA-N 0 3 323.506 3.436 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001167073299 1081638181 /nfs/dbraw/zinc/63/81/81/1081638181.db2.gz IOVXIIJHTKPJKF-CZUORRHYSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2csnc2C)C1 ZINC001266315439 1081658823 /nfs/dbraw/zinc/65/88/23/1081658823.db2.gz WCEBBWUQRWNKAB-CQSZACIVSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001266320351 1081662450 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C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209183518 1081695380 /nfs/dbraw/zinc/69/53/80/1081695380.db2.gz NVKMTEAXSKHTCN-QWHCGFSZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001266361583 1081701528 /nfs/dbraw/zinc/70/15/28/1081701528.db2.gz OVVGIGVOSWTWJL-AWEZNQCLSA-N 0 3 321.490 3.256 20 30 DGEDHN CCN(CCNC(=O)CCC1CCC1)Cc1cccc(C#N)c1 ZINC001266383755 1081725192 /nfs/dbraw/zinc/72/51/92/1081725192.db2.gz VUIGBKTUXVTUNQ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C#CCCCC(=O)N(CCC)C1CCN(CC=C(C)C)CC1 ZINC001266386347 1081729735 /nfs/dbraw/zinc/72/97/35/1081729735.db2.gz BMTOXTKNEGAXJD-UHFFFAOYSA-N 0 3 304.478 3.459 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)on1)C2 ZINC001108898248 1081731113 /nfs/dbraw/zinc/73/11/13/1081731113.db2.gz HELWLNHOGUNAQP-VYDXJSESSA-N 0 3 319.449 3.289 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cccn2CC)CC1 ZINC001266392023 1081736805 /nfs/dbraw/zinc/73/68/05/1081736805.db2.gz CDXPXTMMBAEQCB-UHFFFAOYSA-N 0 3 303.450 3.011 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104239132 1081770594 /nfs/dbraw/zinc/77/05/94/1081770594.db2.gz YUWQNWVERFMQJC-UKRRQHHQSA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C)OCC ZINC001109360568 1081813159 /nfs/dbraw/zinc/81/31/59/1081813159.db2.gz ARTOXWGSFKEYKR-VSZNYVQBSA-N 0 3 320.477 3.045 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(OC)cc1 ZINC001266464718 1081861521 /nfs/dbraw/zinc/86/15/21/1081861521.db2.gz GLMYKSFMCJEOHN-QGZVFWFLSA-N 0 3 316.445 3.132 20 30 DGEDHN CN1CC[C@H](Nc2c(C#N)c(Cl)nc3cccc(F)c32)C1 ZINC001167275707 1081880169 /nfs/dbraw/zinc/88/01/69/1081880169.db2.gz VABOKTKDGKOOME-VIFPVBQESA-N 0 3 304.756 3.015 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001279415894 1081888130 /nfs/dbraw/zinc/88/81/30/1081888130.db2.gz GCWISZKODUODPG-KDURUIRLSA-N 0 3 318.505 3.108 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001109658194 1081894324 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3.338 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001086539115 1081965043 /nfs/dbraw/zinc/96/50/43/1081965043.db2.gz PCQPBKBCVZFNDT-YEORSEQZSA-N 0 3 313.228 3.191 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001157190815 1081986355 /nfs/dbraw/zinc/98/63/55/1081986355.db2.gz SPKZAASVRZXCSA-IEBWSBKVSA-N 0 3 304.478 3.363 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)(C)C)Cc1ccsc1 ZINC001266560399 1081998401 /nfs/dbraw/zinc/99/84/01/1081998401.db2.gz LEZOXCCVTFOSCE-UHFFFAOYSA-N 0 3 306.475 3.126 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1occc1-c1ccccc1 ZINC001266565320 1082004207 /nfs/dbraw/zinc/00/42/07/1082004207.db2.gz TYKOUOWUDNRDLB-UHFFFAOYSA-N 0 3 324.424 3.412 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3c2CCC3)C1 ZINC001086563584 1082022981 /nfs/dbraw/zinc/02/29/81/1082022981.db2.gz PAEQHTPGPDLXPO-CTYIDZIISA-N 0 3 318.848 3.026 20 30 DGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC001167359114 1082025172 /nfs/dbraw/zinc/02/51/72/1082025172.db2.gz AVUYTMNHYUCVRB-BLLLJJGKSA-N 0 3 315.442 3.358 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCC2CCOCC2)CC1 ZINC001112932146 1082054695 /nfs/dbraw/zinc/05/46/95/1082054695.db2.gz UHGIXANVECBTFN-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001112938550 1082057227 /nfs/dbraw/zinc/05/72/27/1082057227.db2.gz MNKFMOVTJDYRKG-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001112961732 1082066343 /nfs/dbraw/zinc/06/63/43/1082066343.db2.gz LMURHWLUFZOGSX-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)Cc1ccccc1)C1CC1 ZINC001266619391 1082085122 /nfs/dbraw/zinc/08/51/22/1082085122.db2.gz LGNHTDSNNWNBGW-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)Cc1ccc(F)cc1)C1CC1 ZINC001266621375 1082087399 /nfs/dbraw/zinc/08/73/99/1082087399.db2.gz BRZMWAGZKLIHLH-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN(CCNC(=O)C(C)(C)c1ccccc1C)C1CC1 ZINC001266621953 1082087539 /nfs/dbraw/zinc/08/75/39/1082087539.db2.gz MQDVSZSQHOLNGV-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](CC)c1ccc(F)cc1)C1CC1 ZINC001266622020 1082088009 /nfs/dbraw/zinc/08/80/09/1082088009.db2.gz OSDLFUMAUYWMIA-QGZVFWFLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)c2cccc3cccnc32)CC1 ZINC001113073837 1082108565 /nfs/dbraw/zinc/10/85/65/1082108565.db2.gz KMABKALYZDRYBR-INIZCTEOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)Cc2ccco2)CC1 ZINC001167440311 1082130605 /nfs/dbraw/zinc/13/06/05/1082130605.db2.gz JMQKHMGFNKISDO-ZDUSSCGKSA-N 0 3 324.852 3.087 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)Oc1ccccc1C ZINC001167449370 1082141679 /nfs/dbraw/zinc/14/16/79/1082141679.db2.gz PSWMSPZJXBQUOE-OAHLLOKOSA-N 0 3 324.852 3.001 20 30 DGEDHN C[C@H](NCCN(C)C(=O)C#CC1CC1)c1ccc(F)c(Cl)c1 ZINC001266694634 1082151406 /nfs/dbraw/zinc/15/14/06/1082151406.db2.gz UKSWDFSRJSUQGR-LBPRGKRZSA-N 0 3 322.811 3.002 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266707797 1082158620 /nfs/dbraw/zinc/15/86/20/1082158620.db2.gz DYYLAYLSGPHSJV-LMCOJAPRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001266711051 1082161439 /nfs/dbraw/zinc/16/14/39/1082161439.db2.gz KJCWKPHMBYAVIO-JKIFEVAISA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001480889494 1082197171 /nfs/dbraw/zinc/19/71/71/1082197171.db2.gz WAXPHVDSZTXBOE-ROUUACIJSA-N 0 3 300.446 3.194 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001266767181 1082204128 /nfs/dbraw/zinc/20/41/28/1082204128.db2.gz LJOKMGDFLRWILO-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1C ZINC001104361595 1082208814 /nfs/dbraw/zinc/20/88/14/1082208814.db2.gz OZUXBLJUZXOLFO-DGCLKSJQSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001266797843 1082222734 /nfs/dbraw/zinc/22/27/34/1082222734.db2.gz GQLPAHBHUDTXPJ-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC001113548835 1082246876 /nfs/dbraw/zinc/24/68/76/1082246876.db2.gz QGOFEQORFODHKV-SJORKVTESA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccccc1C ZINC001266860013 1082275828 /nfs/dbraw/zinc/27/58/28/1082275828.db2.gz VIXIZRCOCYKSQU-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001266859016 1082276468 /nfs/dbraw/zinc/27/64/68/1082276468.db2.gz WCPMEFLZSNKMPI-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cccnc1 ZINC001266877287 1082295565 /nfs/dbraw/zinc/29/55/65/1082295565.db2.gz JSKNHMIKHLMTQY-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCO[C@@H]1CCCC[C@@H]1C ZINC001480898029 1082308927 /nfs/dbraw/zinc/30/89/27/1082308927.db2.gz CCZMSBGVOXFHNM-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN COc1ccc(C[C@@H](C)NCC#Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170311519 1082343928 /nfs/dbraw/zinc/34/39/28/1082343928.db2.gz CGDCSAOGKJTHRT-OAHLLOKOSA-N 0 3 324.380 3.176 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001480903195 1082348507 /nfs/dbraw/zinc/34/85/07/1082348507.db2.gz QSNPNWRNOKBRQY-UHFFFAOYSA-N 0 3 312.457 3.306 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC001266933166 1082352748 /nfs/dbraw/zinc/35/27/48/1082352748.db2.gz MKPSJWABUKVCQB-CHWSQXEVSA-N 0 3 324.827 3.438 20 30 DGEDHN Cc1nc2c(n1C1CCC(C#N)(c3ccccc3)CC1)CNCC2 ZINC001170395158 1082359881 /nfs/dbraw/zinc/35/98/81/1082359881.db2.gz HRWLXGMUBZGXBH-UHFFFAOYSA-N 0 3 320.440 3.414 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001266967505 1082385470 /nfs/dbraw/zinc/38/54/70/1082385470.db2.gz GOWZIPJPSXIIAC-YVEFUNNKSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CSC(C)C)CCCCC1 ZINC001115413189 1082387062 /nfs/dbraw/zinc/38/70/62/1082387062.db2.gz SWXKINLIUIWJFN-UHFFFAOYSA-N 0 3 318.914 3.289 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001266980280 1082398040 /nfs/dbraw/zinc/39/80/40/1082398040.db2.gz QCRUBPUVUSORPP-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001267055799 1082461081 /nfs/dbraw/zinc/46/10/81/1082461081.db2.gz PLDGRPOOJFQNBR-KTELQUMVSA-N 0 3 319.276 3.346 20 30 DGEDHN CC1(C(=O)NCCNCc2ccc(C#N)cc2)CCCCCC1 ZINC001129648156 1082493753 /nfs/dbraw/zinc/49/37/53/1082493753.db2.gz SMIBCJSVQISZJM-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001267101635 1082514530 /nfs/dbraw/zinc/51/45/30/1082514530.db2.gz WEOLJKUDQDXTNQ-HOTGVXAUSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001267101635 1082514539 /nfs/dbraw/zinc/51/45/39/1082514539.db2.gz WEOLJKUDQDXTNQ-HOTGVXAUSA-N 0 3 316.445 3.283 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cc(C)cc(C)c1 ZINC001267142739 1082559425 /nfs/dbraw/zinc/55/94/25/1082559425.db2.gz HFPMPPWWWQRFKA-OAHLLOKOSA-N 0 3 308.853 3.083 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1ccccc1C ZINC001167583949 1082559975 /nfs/dbraw/zinc/55/99/75/1082559975.db2.gz LUJACXGWOZTAEP-CQSZACIVSA-N 0 3 308.853 3.337 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(F)ccc1Cl ZINC001267146539 1082562861 /nfs/dbraw/zinc/56/28/61/1082562861.db2.gz RELLWFZXWCFDIE-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN CCC[C@@H]1CCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001130567430 1082592761 /nfs/dbraw/zinc/59/27/61/1082592761.db2.gz WAMKQIKFVKYSOX-CZUORRHYSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C(C)(C)C(F)F ZINC001267174817 1082597870 /nfs/dbraw/zinc/59/78/70/1082597870.db2.gz LQOWBWALXMIKIQ-LBPRGKRZSA-N 0 3 322.827 3.391 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001130904305 1082622352 /nfs/dbraw/zinc/62/23/52/1082622352.db2.gz KGJAURKEBGUYNU-RKVPGOIHSA-N 0 3 310.457 3.450 20 30 DGEDHN N#Cc1ccc(-c2noc([C@H]3NC[C@H]4C[C@H]43)n2)c2ccccc12 ZINC001211565466 1082651666 /nfs/dbraw/zinc/65/16/66/1082651666.db2.gz CKGOHWYYNULPGA-LYRGGWFBSA-N 0 3 302.337 3.042 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(C3CC3)CCC2)C[C@H]1C ZINC001104458309 1082685016 /nfs/dbraw/zinc/68/50/16/1082685016.db2.gz IXIBSTQZXCVUBD-UKRRQHHQSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001267251470 1082704725 /nfs/dbraw/zinc/70/47/25/1082704725.db2.gz HCTFVYPTBWQYMD-SFHVURJKSA-N 0 3 306.425 3.366 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC=C(C)C)C2)C1 ZINC001131677372 1082704985 /nfs/dbraw/zinc/70/49/85/1082704985.db2.gz MAZBOHTWCFEYCQ-MJGOQNOKSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001267281023 1082743647 /nfs/dbraw/zinc/74/36/47/1082743647.db2.gz FHVPBRZIQQKKFN-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001131862629 1082747232 /nfs/dbraw/zinc/74/72/32/1082747232.db2.gz WHZZCENFXRBARJ-TZMCWYRMSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl)C1 ZINC001496153792 1082766856 /nfs/dbraw/zinc/76/68/56/1082766856.db2.gz WYJACAGUJDXYSX-NSHDSACASA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001131980265 1082780587 /nfs/dbraw/zinc/78/05/87/1082780587.db2.gz JXZUQEQNLKDQFM-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2ccc(F)cc2s1 ZINC001267315372 1082783144 /nfs/dbraw/zinc/78/31/44/1082783144.db2.gz VZAJEKBAEIIDEQ-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001267315458 1082783267 /nfs/dbraw/zinc/78/32/67/1082783267.db2.gz ZOPKQEQSABLCIZ-UHFFFAOYSA-N 0 3 314.429 3.109 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001132003720 1082791841 /nfs/dbraw/zinc/79/18/41/1082791841.db2.gz ZCXZYDKSSOAHQX-OLZOCXBDSA-N 0 3 310.438 3.436 20 30 DGEDHN Cc1ccccc1CN1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018689 1082798187 /nfs/dbraw/zinc/79/81/87/1082798187.db2.gz YSRYGRMAIFNPKB-MJGOQNOKSA-N 0 3 312.457 3.124 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CCOCC)CCC2)CC[C@H]1C ZINC001132050541 1082801451 /nfs/dbraw/zinc/80/14/51/1082801451.db2.gz OMDFKOWRESTTCK-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CCOCCC(C)C)C1 ZINC001132073583 1082809102 /nfs/dbraw/zinc/80/91/02/1082809102.db2.gz WTWBMQCELCALCM-ROUUACIJSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132095448 1082816678 /nfs/dbraw/zinc/81/66/78/1082816678.db2.gz YFJJBMVGRUENHV-OLZOCXBDSA-N 0 3 318.383 3.264 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CCC)c1ccc(C(C)C)cc1 ZINC001267340141 1082817786 /nfs/dbraw/zinc/81/77/86/1082817786.db2.gz FHUZTDLXLYXNTH-SFHVURJKSA-N 0 3 300.446 3.380 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(F)cc2)CC[C@H]1C ZINC001132157315 1082828129 /nfs/dbraw/zinc/82/81/29/1082828129.db2.gz NYLOGCQCNJRNBF-CRAIPNDOSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@@H](C)C(F)(F)F)c1ccccc1 ZINC001267370944 1082840431 /nfs/dbraw/zinc/84/04/31/1082840431.db2.gz UNSBTJXLQWGUHQ-TZMCWYRMSA-N 0 3 314.351 3.208 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2cnco2)CC[C@@H]1C ZINC001132206619 1082843454 /nfs/dbraw/zinc/84/34/54/1082843454.db2.gz MCIYVEFGWHGXAJ-GJZGRUSLSA-N 0 3 307.438 3.228 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(CCC)CCC2)CC[C@H]1C ZINC001132248733 1082853408 /nfs/dbraw/zinc/85/34/08/1082853408.db2.gz HVRADRKIJMDLPH-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001132304469 1082875968 /nfs/dbraw/zinc/87/59/68/1082875968.db2.gz QDRCOYYREKRDLA-INIZCTEOSA-N 0 3 322.399 3.260 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H](C)F)CCC1 ZINC001267423698 1082877645 /nfs/dbraw/zinc/87/76/45/1082877645.db2.gz SYEDEMRQPRBECD-HRCADAONSA-N 0 3 308.441 3.156 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(CC)CCCC2)CC[C@@H]1C ZINC001132396192 1082897731 /nfs/dbraw/zinc/89/77/31/1082897731.db2.gz BPDZWPPFLFUYLH-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN COc1cccc(/C=N\C[C@@H](C)N2CCc3ccccc3C2)c1O ZINC000255663365 1082907308 /nfs/dbraw/zinc/90/73/08/1082907308.db2.gz RLESPWUNPNCXSQ-PJMHOZITSA-N 0 3 324.424 3.267 20 30 DGEDHN CCCCCCCCC(=O)N[C@H]1CC[C@H](C)N(CCOC)C1 ZINC001132436802 1082910253 /nfs/dbraw/zinc/91/02/53/1082910253.db2.gz ONCFUHAVJCJYSB-IRXDYDNUSA-N 0 3 312.498 3.353 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCOc2ccccc2)CC[C@@H]1C ZINC001132464226 1082918415 /nfs/dbraw/zinc/91/84/15/1082918415.db2.gz PHGGZPWVLBEMEV-DLBZAZTESA-N 0 3 316.445 3.001 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CCCCC2)CC[C@@H]1C ZINC001132507989 1082930418 /nfs/dbraw/zinc/93/04/18/1082930418.db2.gz AXTXPDKHBJHVLC-IRXDYDNUSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(C)o2)CC[C@@H]1C ZINC001132513164 1082932570 /nfs/dbraw/zinc/93/25/70/1082932570.db2.gz PHFRCFIKWASMMD-HOCLYGCPSA-N 0 3 304.434 3.066 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC=C)CCCC2)CC[C@H]1C ZINC001132546540 1082939416 /nfs/dbraw/zinc/93/94/16/1082939416.db2.gz NRJPSWPIHKRMOH-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001132565816 1082947363 /nfs/dbraw/zinc/94/73/63/1082947363.db2.gz ZQZCFNHMUUSEMN-HOTGVXAUSA-N 0 3 318.461 3.138 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132569654 1082948265 /nfs/dbraw/zinc/94/82/65/1082948265.db2.gz VZYUXSCTQWEWAE-NEPJUHHUSA-N 0 3 312.816 3.143 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C(C)=C3CCC3)C(C)(C)[C@@H]21 ZINC001087286585 1082948956 /nfs/dbraw/zinc/94/89/56/1082948956.db2.gz UDPCLYVTOWEYFD-KZNAEPCWSA-N 0 3 314.473 3.115 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001267496047 1082953707 /nfs/dbraw/zinc/95/37/07/1082953707.db2.gz KVSKJQXHKCKNRN-CSODTCANSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3CC)C(C)(C)[C@@H]21 ZINC001087302347 1082972504 /nfs/dbraw/zinc/97/25/04/1082972504.db2.gz ROYBGECPYSHBLK-GUDVDZBRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccccc1OC(C)C ZINC001132668069 1082976109 /nfs/dbraw/zinc/97/61/09/1082976109.db2.gz ZYXKMAPUUCFRAM-MRXNPFEDSA-N 0 3 318.461 3.282 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(F)cc1C)c1ccccc1 ZINC001267524639 1082986951 /nfs/dbraw/zinc/98/69/51/1082986951.db2.gz DGTHSUFDFKPOFZ-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc(C)c1C ZINC001087315528 1082987012 /nfs/dbraw/zinc/98/70/12/1082987012.db2.gz DIOJOUNAKPOLPR-CEXWTWQISA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1sccc1OC)c1ccccc1 ZINC001267525954 1082988627 /nfs/dbraw/zinc/98/86/27/1082988627.db2.gz QHOVNMZVRNVRPW-CQSZACIVSA-N 0 3 316.426 3.003 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)Cc1cccc(Cl)c1 ZINC001480971926 1083055378 /nfs/dbraw/zinc/05/53/78/1083055378.db2.gz VOXAJHTVNJHHRG-UHFFFAOYSA-N 0 3 306.837 3.082 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)CC1 ZINC001267570165 1083057682 /nfs/dbraw/zinc/05/76/82/1083057682.db2.gz JOLRUMULPCYYPA-VGRIEHBSSA-N 0 3 310.869 3.314 20 30 DGEDHN Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)nc(C)c1C#N ZINC001170680950 1083103463 /nfs/dbraw/zinc/10/34/63/1083103463.db2.gz JMMPGHBVQUUETM-ZDUSSCGKSA-N 0 3 317.396 3.443 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc(/C=N/O)c1 ZINC001170681065 1083104445 /nfs/dbraw/zinc/10/44/45/1083104445.db2.gz DWTHWCFQLZLVTN-PUFAJPFRSA-N 0 3 306.369 3.367 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1CC[C@@H]1CC1(Cl)Cl ZINC001481031275 1083105919 /nfs/dbraw/zinc/10/59/19/1083105919.db2.gz VPJMCGMCDKLNNJ-CHWSQXEVSA-N 0 3 319.276 3.117 20 30 DGEDHN C=C1CCC(C(=O)NCCN[C@@H](C)c2cccc(F)c2)CC1 ZINC001133375860 1083106516 /nfs/dbraw/zinc/10/65/16/1083106516.db2.gz MDKTUPLJPKJEQY-AWEZNQCLSA-N 0 3 304.409 3.339 20 30 DGEDHN C=C1CCC(C(=O)NCCNCc2cc(F)ccc2C)CC1 ZINC001133368775 1083107313 /nfs/dbraw/zinc/10/73/13/1083107313.db2.gz GRZVSGVHTBHRQB-UHFFFAOYSA-N 0 3 304.409 3.086 20 30 DGEDHN Cc1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)cc1C#N ZINC001170681358 1083108100 /nfs/dbraw/zinc/10/81/00/1083108100.db2.gz OGZUARMHWYYZQB-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN N#CCc1c[nH]c2cccc(-n3nc(CN)c4ccccc43)c12 ZINC001167700441 1083112544 /nfs/dbraw/zinc/11/25/44/1083112544.db2.gz IVNJRIJBTDOWIA-UHFFFAOYSA-N 0 3 301.353 3.032 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCCC=C ZINC001133403637 1083115186 /nfs/dbraw/zinc/11/51/86/1083115186.db2.gz BTLGEBCWMFJYQV-UHFFFAOYSA-N 0 3 318.848 3.248 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001481060739 1083142508 /nfs/dbraw/zinc/14/25/08/1083142508.db2.gz WSRBWKXJOJNOEB-ZBFHGGJFSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC(C1CCC1)C1CCC1 ZINC001481059297 1083142653 /nfs/dbraw/zinc/14/26/53/1083142653.db2.gz RWOGOOIINFMVCA-QGZVFWFLSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc2ccccc2c1 ZINC001481068586 1083147529 /nfs/dbraw/zinc/14/75/29/1083147529.db2.gz AMFQFAZDJBSKEC-LJQANCHMSA-N 0 3 308.425 3.149 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001481072217 1083147963 /nfs/dbraw/zinc/14/79/63/1083147963.db2.gz SMBTXFJRDULSMQ-IAGOWNOFSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001481072218 1083148239 /nfs/dbraw/zinc/14/82/39/1083148239.db2.gz SMBTXFJRDULSMQ-IRXDYDNUSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC[C@H]1CCc2ccccc21 ZINC001481071420 1083148692 /nfs/dbraw/zinc/14/86/92/1083148692.db2.gz NLAJORWEBJMIOW-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OCCCC)cc1 ZINC001481070059 1083149160 /nfs/dbraw/zinc/14/91/60/1083149160.db2.gz LRJSZSSILGUSLB-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1C ZINC001104629221 1083166946 /nfs/dbraw/zinc/16/69/46/1083166946.db2.gz DKWYOTMLVSZLDW-UKRRQHHQSA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001133887660 1083209793 /nfs/dbraw/zinc/20/97/93/1083209793.db2.gz AREJOHPUSHUUTG-STQMWFEESA-N 0 3 310.388 3.304 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001481152110 1083213791 /nfs/dbraw/zinc/21/37/91/1083213791.db2.gz DUNKSCAPHACFGD-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1nccc2ccsc21)C1CC1 ZINC001481172180 1083223890 /nfs/dbraw/zinc/22/38/90/1083223890.db2.gz CJPKPNCSINYUSV-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CC(C)c1ccccc1CN1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001267623398 1083225676 /nfs/dbraw/zinc/22/56/76/1083225676.db2.gz NXQYEHDUAKRDQK-WBVHZDCISA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2ccccc2cc1F)C1CC1 ZINC001481177785 1083226415 /nfs/dbraw/zinc/22/64/15/1083226415.db2.gz KMQXQQKPHIGLOH-UHFFFAOYSA-N 0 3 312.388 3.359 20 30 DGEDHN C#CCN(C(=O)/C(C)=C/C1CCC(C)CC1)C1CCN(C)CC1 ZINC001134043057 1083231011 /nfs/dbraw/zinc/23/10/11/1083231011.db2.gz DULFYLBOWBYDHC-BMRADRMJSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C1CCN(C)CC1 ZINC001134044213 1083231064 /nfs/dbraw/zinc/23/10/64/1083231064.db2.gz UIPQCYGJUUTMJO-IAGOWNOFSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN(C(=O)/C(C)=C\C1CCC(C)CC1)C1CCN(C)CC1 ZINC001134043058 1083231168 /nfs/dbraw/zinc/23/11/68/1083231168.db2.gz DULFYLBOWBYDHC-ICFOKQHNSA-N 0 3 316.489 3.315 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001134047638 1083232046 /nfs/dbraw/zinc/23/20/46/1083232046.db2.gz PVOVBWJPVXELJX-SNBRUFEUSA-N 0 3 317.408 3.036 20 30 DGEDHN CC(C)=C(F)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134081605 1083238948 /nfs/dbraw/zinc/23/89/48/1083238948.db2.gz IQACXTKTKWHURF-ZIAGYGMSSA-N 0 3 317.408 3.195 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)c1ccccc1C)C1CC1 ZINC001481200722 1083243436 /nfs/dbraw/zinc/24/34/36/1083243436.db2.gz RUCTYRWGBUCQOF-INIZCTEOSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001134118917 1083244825 /nfs/dbraw/zinc/24/48/25/1083244825.db2.gz JDSZPJANLIXDBW-UDVMBWJESA-N 0 3 319.276 3.372 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001112031380 1083245734 /nfs/dbraw/zinc/24/57/34/1083245734.db2.gz HTVJYMQIMVCFAY-WXXRXALHSA-N 0 3 322.452 3.002 20 30 DGEDHN C=CCCC(=O)NCC1CN(Cc2ccccc2C(C)C)C1 ZINC001267676463 1083259301 /nfs/dbraw/zinc/25/93/01/1083259301.db2.gz KQGSUWKDYYVUDC-UHFFFAOYSA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCCCC(=O)NCC1CN(Cc2cccc3cccnc32)C1 ZINC001267689871 1083265262 /nfs/dbraw/zinc/26/52/62/1083265262.db2.gz RDZIYZXZMSULRU-UHFFFAOYSA-N 0 3 323.440 3.139 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1cccc(C)c1 ZINC001267705198 1083273810 /nfs/dbraw/zinc/27/38/10/1083273810.db2.gz QNULHLCJXYKWAO-PMACEKPBSA-N 0 3 324.468 3.016 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)NC/C(Cl)=C/Cl ZINC001134329574 1083274583 /nfs/dbraw/zinc/27/45/83/1083274583.db2.gz PHCCFIFAGCJPSV-YFNPVVSBSA-N 0 3 319.276 3.228 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@@H](C)NCc1nccs1 ZINC001134418423 1083286775 /nfs/dbraw/zinc/28/67/75/1083286775.db2.gz KFUYAHVLBLOODA-ZIAGYGMSSA-N 0 3 321.490 3.284 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001267728840 1083287938 /nfs/dbraw/zinc/28/79/38/1083287938.db2.gz NMLCFJFETNMTOF-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001267734508 1083292824 /nfs/dbraw/zinc/29/28/24/1083292824.db2.gz LOIGPJIESBOLHF-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134469971 1083294422 /nfs/dbraw/zinc/29/44/22/1083294422.db2.gz KNDOALIEBLDZIF-QWHCGFSZSA-N 0 3 309.479 3.181 20 30 DGEDHN CC1(C)[C@@H]2C[C@H](N3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC001170762239 1083313874 /nfs/dbraw/zinc/31/38/74/1083313874.db2.gz SKSKNLFJEPBPJD-MUJYYYPQSA-N 0 3 313.420 3.254 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001267758249 1083323721 /nfs/dbraw/zinc/32/37/21/1083323721.db2.gz JLUPLZODVAKBHD-MRXNPFEDSA-N 0 3 306.475 3.364 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267764662 1083328714 /nfs/dbraw/zinc/32/87/14/1083328714.db2.gz XGZAGZFDUOCVQJ-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267764661 1083328879 /nfs/dbraw/zinc/32/88/79/1083328879.db2.gz XGZAGZFDUOCVQJ-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2cccc(Cl)c2)C1 ZINC001267767308 1083330908 /nfs/dbraw/zinc/33/09/08/1083330908.db2.gz FAJPTUSMXRKPRI-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001267772072 1083335020 /nfs/dbraw/zinc/33/50/20/1083335020.db2.gz AAABKLPNCCOAJW-SJORKVTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2(CC)CCCCC2)C1 ZINC001267777516 1083340596 /nfs/dbraw/zinc/34/05/96/1083340596.db2.gz ONXIUHXGIXOKQO-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN CC#CCCCC(=O)N(C)CCNCc1ccc(F)c(Cl)c1 ZINC001481267662 1083345199 /nfs/dbraw/zinc/34/51/99/1083345199.db2.gz GBJCFBHJPDGFLE-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001267789870 1083348779 /nfs/dbraw/zinc/34/87/79/1083348779.db2.gz INOGDRHXIAVKFD-HNNXBMFYSA-N 0 3 324.827 3.130 20 30 DGEDHN CC[C@@H](C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1Cl ZINC001267795633 1083352779 /nfs/dbraw/zinc/35/27/79/1083352779.db2.gz FWAXDJUKIYNYTL-GDBMZVCRSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@@H](CNC(=O)[C@@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001267809770 1083359051 /nfs/dbraw/zinc/35/90/51/1083359051.db2.gz RVLKSQQSBRYKTB-OALUTQOASA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C2(CCC)CCC2)C[C@H]1c1ccccc1 ZINC001211652792 1083360228 /nfs/dbraw/zinc/36/02/28/1083360228.db2.gz AMZQEXGZUMGQHI-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C[C@H](NCc1cccc(F)c1C#N)[C@H](c1ccccc1)N(C)C ZINC001181055142 1083392479 /nfs/dbraw/zinc/39/24/79/1083392479.db2.gz JLRLGQNVUJTMOP-IFXJQAMLSA-N 0 3 311.404 3.478 20 30 DGEDHN C[C@@H](NCc1cccc(F)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC001181055143 1083392905 /nfs/dbraw/zinc/39/29/05/1083392905.db2.gz JLRLGQNVUJTMOP-KUHUBIRLSA-N 0 3 311.404 3.478 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2sccc2C)CCCC1 ZINC001267832662 1083408687 /nfs/dbraw/zinc/40/86/87/1083408687.db2.gz ZLAYOGMSYOJVBQ-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001267853186 1083450531 /nfs/dbraw/zinc/45/05/31/1083450531.db2.gz MGEMGWKQWFHTTC-FZMZJTMJSA-N 0 3 320.811 3.049 20 30 DGEDHN CN(CCNCc1cccc(C#N)c1)C(=O)C1(C)CCCCC1 ZINC001481275548 1083448497 /nfs/dbraw/zinc/44/84/97/1083448497.db2.gz JVXLMZDMKQHRJK-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccn(C)c2)CCCC[C@H]1C ZINC001267866201 1083480397 /nfs/dbraw/zinc/48/03/97/1083480397.db2.gz KECOXAVFXTVRJH-DYVFJYSZSA-N 0 3 323.868 3.046 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001181512220 1083480959 /nfs/dbraw/zinc/48/09/59/1083480959.db2.gz ZJHOQUISLKEZTP-CYBMUJFWSA-N 0 3 310.800 3.136 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC001267875911 1083506594 /nfs/dbraw/zinc/50/65/94/1083506594.db2.gz PBAXCXHGDUNHGH-XHPSBEMXSA-N 0 3 322.836 3.264 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001267891866 1083523625 /nfs/dbraw/zinc/52/36/25/1083523625.db2.gz XWOJEDVCZRMAPI-HUUCEWRRSA-N 0 3 312.885 3.393 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc3ccccc3o2)cc1 ZINC001267940046 1083603308 /nfs/dbraw/zinc/60/33/08/1083603308.db2.gz AWMNNIHIKIATPS-UHFFFAOYSA-N 0 3 318.376 3.086 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001267936752 1083604128 /nfs/dbraw/zinc/60/41/28/1083604128.db2.gz MUMVXOWMGUPVLO-BJMVGYQFSA-N 0 3 306.837 3.357 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc(C)ccc2F)cc1 ZINC001267939221 1083605578 /nfs/dbraw/zinc/60/55/78/1083605578.db2.gz SBVTVUZOLLXTTK-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H](CC)CC(C)C)cc1 ZINC001267938933 1083605640 /nfs/dbraw/zinc/60/56/40/1083605640.db2.gz CUMLDYHRWAFRLU-SFHVURJKSA-N 0 3 300.446 3.098 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001267953650 1083642004 /nfs/dbraw/zinc/64/20/04/1083642004.db2.gz BYJAMMXNCWPBLR-IEBWSBKVSA-N 0 3 312.457 3.055 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001182499881 1083736714 /nfs/dbraw/zinc/73/67/14/1083736714.db2.gz QCQVYMFJLZKQGF-GFCCVEGCSA-N 0 3 306.369 3.333 20 30 DGEDHN C=CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(F)F)C1 ZINC001087419537 1083801789 /nfs/dbraw/zinc/80/17/89/1083801789.db2.gz KNIRDBZVVBKSQW-HZPDHXFCSA-N 0 3 322.399 3.192 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CCC1)c1ccc(C(C)C)cc1 ZINC001481358523 1083820281 /nfs/dbraw/zinc/82/02/81/1083820281.db2.gz UUOXGJTZAVKOBS-LJQANCHMSA-N 0 3 312.457 3.380 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(C)cs1)c1ccccc1 ZINC001481364292 1083824123 /nfs/dbraw/zinc/82/41/23/1083824123.db2.gz FOUCXZWBLRDZBB-OAHLLOKOSA-N 0 3 300.427 3.303 20 30 DGEDHN CC(C)=CCN[C@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 ZINC001481367519 1083827563 /nfs/dbraw/zinc/82/75/63/1083827563.db2.gz UZXLCMRWDGONRM-GOSISDBHSA-N 0 3 312.457 3.449 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC001481372395 1083832090 /nfs/dbraw/zinc/83/20/90/1083832090.db2.gz MODUJUFYAHNCMZ-HXUWFJFHSA-N 0 3 320.436 3.422 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2ccc(F)s2)C1 ZINC001481411339 1083883302 /nfs/dbraw/zinc/88/33/02/1083883302.db2.gz CHHDJXJHAUCKMS-ZDUSSCGKSA-N 0 3 310.438 3.390 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268056659 1084052695 /nfs/dbraw/zinc/05/26/95/1084052695.db2.gz UOVXQGHTVQECEZ-JKSUJKDBSA-N 0 3 318.436 3.050 20 30 DGEDHN Cc1ccc(CNC[C@@H](C)N(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001268061723 1084076113 /nfs/dbraw/zinc/07/61/13/1084076113.db2.gz YYCGUZWCPYZFDK-OAHLLOKOSA-N 0 3 320.864 3.244 20 30 DGEDHN N#CCc1cc2ccccc2c(NCCN2CCSCC2)c1 ZINC001167838488 1084162135 /nfs/dbraw/zinc/16/21/35/1084162135.db2.gz CFLRADSBPDICBO-UHFFFAOYSA-N 0 3 311.454 3.367 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2nccs2)[C@@H](C)C1 ZINC001184499315 1084202435 /nfs/dbraw/zinc/20/24/35/1084202435.db2.gz YWOCRGZGHRGGEO-LSDHHAIUSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001268194756 1084304809 /nfs/dbraw/zinc/30/48/09/1084304809.db2.gz WOUYSCUSDMJHPL-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN CC#CCCCC(=O)N1CCC(CCN(C)C/C=C\Cl)CC1 ZINC001268200204 1084311917 /nfs/dbraw/zinc/31/19/17/1084311917.db2.gz RDPHEJIGGVGMGE-GHXNOFRVSA-N 0 3 324.896 3.493 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)c1cccs1)C(C)C ZINC001268219209 1084346155 /nfs/dbraw/zinc/34/61/55/1084346155.db2.gz MKNZGNHFAKFQGM-QWHCGFSZSA-N 0 3 314.882 3.335 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1ccc(C)cc1Cl)C1CC1 ZINC001493383771 1084353910 /nfs/dbraw/zinc/35/39/10/1084353910.db2.gz BMEJIVAYEXRRHE-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C[C@@H](CC)OC)C2)CCCC1 ZINC001268239204 1084388228 /nfs/dbraw/zinc/38/82/28/1084388228.db2.gz MFJRWSXWRJWADE-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC001268248717 1084403551 /nfs/dbraw/zinc/40/35/51/1084403551.db2.gz IGEQBSJYYIHTBS-UHFFFAOYSA-N 0 3 306.425 3.070 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccc(C)c2)CC1 ZINC001481682779 1084472060 /nfs/dbraw/zinc/47/20/60/1084472060.db2.gz HRTTXCFEKOUMIQ-OALUTQOASA-N 0 3 324.468 3.278 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001481692466 1084480979 /nfs/dbraw/zinc/48/09/79/1084480979.db2.gz YINRUSMANRXJOX-KRWDZBQOSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001481697059 1084483099 /nfs/dbraw/zinc/48/30/99/1084483099.db2.gz XMTFWSYUAPILJR-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001481701757 1084491632 /nfs/dbraw/zinc/49/16/32/1084491632.db2.gz YPQUKCHZYFRJRX-OXQOHEQNSA-N 0 3 324.468 3.086 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CCCCCC)C[C@H]1c1ccccc1 ZINC001211718131 1084512471 /nfs/dbraw/zinc/51/24/71/1084512471.db2.gz AEAUHQVJCUGJMO-RBUKOAKNSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1CC ZINC001110368636 1084518737 /nfs/dbraw/zinc/51/87/37/1084518737.db2.gz HUIPWYDTWVMTCF-QRVBRYPASA-N 0 3 312.457 3.437 20 30 DGEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)/C=C\C(C)(C)C ZINC001268352418 1084518780 /nfs/dbraw/zinc/51/87/80/1084518780.db2.gz ZIYBQELFUXDEIY-KLQCNHIUSA-N 0 3 313.445 3.145 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@]1(C)CCC[C@@H]1C ZINC001279317525 1084520179 /nfs/dbraw/zinc/52/01/79/1084520179.db2.gz CZFUQHDBOJSCDE-FXAWDEMLSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001481735214 1084550771 /nfs/dbraw/zinc/55/07/71/1084550771.db2.gz LQYPMKHDHYHXGI-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC/C=C/c2ccccc2)C1 ZINC001481741881 1084561149 /nfs/dbraw/zinc/56/11/49/1084561149.db2.gz UZZQQDGHRDWYAY-YRVHBARZSA-N 0 3 310.441 3.036 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2cc(F)ccc2o1 ZINC001268403636 1084568720 /nfs/dbraw/zinc/56/87/20/1084568720.db2.gz BWJBLCGFDVPILE-NSHDSACASA-N 0 3 324.783 3.422 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2ncsc2c1 ZINC001268427271 1084590354 /nfs/dbraw/zinc/59/03/54/1084590354.db2.gz YKIRIRPTAYENDP-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1C ZINC001268427774 1084591599 /nfs/dbraw/zinc/59/15/99/1084591599.db2.gz IBBWTSKFXRBWHU-HOCLYGCPSA-N 0 3 322.880 3.411 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001481781844 1084635472 /nfs/dbraw/zinc/63/54/72/1084635472.db2.gz IQPGGQGHLRPPTH-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001481808188 1084645338 /nfs/dbraw/zinc/64/53/38/1084645338.db2.gz MLOVOXUOLSSMRM-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1C(C)C ZINC001481877771 1084684277 /nfs/dbraw/zinc/68/42/77/1084684277.db2.gz DYGMGOFHRIFQJF-CABCVRRESA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001481921995 1084707300 /nfs/dbraw/zinc/70/73/00/1084707300.db2.gz FVHPGDUTCKZWCD-SFHVURJKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001481921994 1084707541 /nfs/dbraw/zinc/70/75/41/1084707541.db2.gz FVHPGDUTCKZWCD-GOSISDBHSA-N 0 3 322.399 3.306 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CC2CCCC2)[C@H](OC)C1 ZINC001211788724 1084751901 /nfs/dbraw/zinc/75/19/01/1084751901.db2.gz YBVMAIMUZIZNKZ-QZTJIDSGSA-N 0 3 324.509 3.353 20 30 DGEDHN CCCCC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001482011073 1084763823 /nfs/dbraw/zinc/76/38/23/1084763823.db2.gz MWJJZZLDUAWFIB-IYARVYRRSA-N 0 3 313.445 3.265 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001187191179 1084767363 /nfs/dbraw/zinc/76/73/63/1084767363.db2.gz ITKLESNUXVQRBZ-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001187233642 1084772577 /nfs/dbraw/zinc/77/25/77/1084772577.db2.gz WRDMRIREAAJRJM-FUHWJXTLSA-N 0 3 316.420 3.133 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@](C)(F)CCCC)cc1 ZINC001482032305 1084783472 /nfs/dbraw/zinc/78/34/72/1084783472.db2.gz UGNWOYVSFMJPCV-IBGZPJMESA-N 0 3 318.436 3.334 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC001482032786 1084783581 /nfs/dbraw/zinc/78/35/81/1084783581.db2.gz LCONMWPEOFMZJS-UXHICEINSA-N 0 3 324.468 3.242 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001482063434 1084815344 /nfs/dbraw/zinc/81/53/44/1084815344.db2.gz BHXKPGHXFKJAHZ-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CCC(=CC(=O)NC[C@H](C)CNCc1ccccc1C#N)CC ZINC001482089563 1084832183 /nfs/dbraw/zinc/83/21/83/1084832183.db2.gz DJWRPTNSIDEZEX-OAHLLOKOSA-N 0 3 313.445 3.147 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)C1CCCC1 ZINC001268669091 1084931468 /nfs/dbraw/zinc/93/14/68/1084931468.db2.gz LEUAKFDAPSAWDG-CHWSQXEVSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268728707 1084995959 /nfs/dbraw/zinc/99/59/59/1084995959.db2.gz IUEWKHRWWVRGFK-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001268744344 1085015183 /nfs/dbraw/zinc/01/51/83/1085015183.db2.gz VGNJRTANYJSVNH-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccsc1C(F)(F)F ZINC001268755202 1085031668 /nfs/dbraw/zinc/03/16/68/1085031668.db2.gz SKXVKHWNTGVUJT-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001269177699 1085182269 /nfs/dbraw/zinc/18/22/69/1085182269.db2.gz NSYCRSGIAZFNPX-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCc2ccc(Cl)cc2)C1 ZINC001269251389 1085236196 /nfs/dbraw/zinc/23/61/96/1085236196.db2.gz NEIURTMAVFFGMI-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1ccc(C)cc1Cl ZINC001269255279 1085237780 /nfs/dbraw/zinc/23/77/80/1085237780.db2.gz NPHZHNNIFAGFEN-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1CC/C=C\c1ccccc1 ZINC001269278807 1085261682 /nfs/dbraw/zinc/26/16/82/1085261682.db2.gz PMHPWYXHOMZYOB-DRHVUCGNSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001269278940 1085262905 /nfs/dbraw/zinc/26/29/05/1085262905.db2.gz SBFVWLUIRDYWNY-PKOBYXMFSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CC(C)(C)C(F)(F)F ZINC001269338050 1085315503 /nfs/dbraw/zinc/31/55/03/1085315503.db2.gz OBBRLPZGLBEWRW-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccc(F)c1C)C1CC1 ZINC001269619998 1085501634 /nfs/dbraw/zinc/50/16/34/1085501634.db2.gz XMIHOYWXSRGSSX-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001269671477 1085519996 /nfs/dbraw/zinc/51/99/96/1085519996.db2.gz TZHIEUGIGJYBKZ-HDICACEKSA-N 0 3 304.478 3.436 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001269770421 1085560699 /nfs/dbraw/zinc/56/06/99/1085560699.db2.gz LMLXUXQCXQOIPN-HUUCEWRRSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001270010946 1085652199 /nfs/dbraw/zinc/65/21/99/1085652199.db2.gz OJQXWUVTOHBHHQ-KKUMJFAQSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001482259046 1085655790 /nfs/dbraw/zinc/65/57/90/1085655790.db2.gz ISGRETQSYLGYTF-OAHLLOKOSA-N 0 3 303.450 3.108 20 30 DGEDHN C=CCOC(=O)[C@@H](Nc1ccc2nc[nH]c2c1C)[C@@H](C)CC ZINC001167960424 1085673767 /nfs/dbraw/zinc/67/37/67/1085673767.db2.gz ZDNWBXAJHFJDGE-NHYWBVRUSA-N 0 3 301.390 3.427 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001270112507 1085696942 /nfs/dbraw/zinc/69/69/42/1085696942.db2.gz GSPAHUVJFFFZJL-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001270254386 1085751120 /nfs/dbraw/zinc/75/11/20/1085751120.db2.gz MWPJDSAXPATWHA-QGZVFWFLSA-N 0 3 316.420 3.100 20 30 DGEDHN C#CCN(C(=O)c1cscc1Cl)C1CCN(CC=C)CC1 ZINC001270320682 1085771848 /nfs/dbraw/zinc/77/18/48/1085771848.db2.gz HDQKJNIAFRJCEE-UHFFFAOYSA-N 0 3 322.861 3.127 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CCC)C(C)C)C2 ZINC001270514177 1085840411 /nfs/dbraw/zinc/84/04/11/1085840411.db2.gz WEABEPNRWKDMGU-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C1CC(C(=O)N2CC3(CCN3C[C@H](CC)CCCC)C2)C1 ZINC001270590058 1085876345 /nfs/dbraw/zinc/87/63/45/1085876345.db2.gz IHHNOETYSLUCFV-MRXNPFEDSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C1CC(C(=O)N2CC3(CCN3C[C@@H](CC)CCCC)C2)C1 ZINC001270590057 1085876750 /nfs/dbraw/zinc/87/67/50/1085876750.db2.gz IHHNOETYSLUCFV-INIZCTEOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001270599762 1085878364 /nfs/dbraw/zinc/87/83/64/1085878364.db2.gz MXCSSRWLIHSHFU-GOSISDBHSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001270659860 1085927865 /nfs/dbraw/zinc/92/78/65/1085927865.db2.gz WREJFZXXMUOTJB-VQIMIIECSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC(C)C)CC1 ZINC001105386969 1086086811 /nfs/dbraw/zinc/08/68/11/1086086811.db2.gz KGBNYQZOSKRMES-LJQANCHMSA-N 0 3 316.489 3.149 20 30 DGEDHN CC(C)C(=O)N1CCCC[C@@H]1CCNCc1ccccc1C#N ZINC001482442287 1086185087 /nfs/dbraw/zinc/18/50/87/1086185087.db2.gz QCCAJISJEJUWEZ-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001270911498 1086186764 /nfs/dbraw/zinc/18/67/64/1086186764.db2.gz NXMSHSOZZAOIMQ-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2csc(C)c2C)C1 ZINC001270965945 1086223087 /nfs/dbraw/zinc/22/30/87/1086223087.db2.gz SFWOFNUHFUDDLF-SFHVURJKSA-N 0 3 318.486 3.220 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001270981818 1086230313 /nfs/dbraw/zinc/23/03/13/1086230313.db2.gz CBNQDZMJXONXTG-IBGZPJMESA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001271099412 1086289687 /nfs/dbraw/zinc/28/96/87/1086289687.db2.gz CLTSAAASGBSOCF-HNNXBMFYSA-N 0 3 314.420 3.052 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001482457211 1086295813 /nfs/dbraw/zinc/29/58/13/1086295813.db2.gz QYHRDHDVCNCTMF-UONOGXRCSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H]1CC ZINC001087618102 1086328047 /nfs/dbraw/zinc/32/80/47/1086328047.db2.gz BBIBRRFFOUIGJZ-DLBZAZTESA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)[C@H]1CC ZINC001087645226 1086337338 /nfs/dbraw/zinc/33/73/38/1086337338.db2.gz NECFHNYWIIEQJH-RBUKOAKNSA-N 0 3 323.440 3.246 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)noc2C2CC2)[C@H]1CC ZINC001087661586 1086345809 /nfs/dbraw/zinc/34/58/09/1086345809.db2.gz RZCBNYBYJLZBKN-LSDHHAIUSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H]1CC ZINC001087736105 1086384228 /nfs/dbraw/zinc/38/42/28/1086384228.db2.gz YYGZLVFJSXYEMI-UONOGXRCSA-N 0 3 308.372 3.042 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)[C@H]1CC ZINC001087762694 1086401864 /nfs/dbraw/zinc/40/18/64/1086401864.db2.gz IODCRHXYEWHOPD-DLBZAZTESA-N 0 3 318.436 3.258 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@H]1CC ZINC001087803212 1086413978 /nfs/dbraw/zinc/41/39/78/1086413978.db2.gz IZHJGSYYHZNHRR-LSDHHAIUSA-N 0 3 308.372 3.393 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2C2CC2)[C@H]1CC ZINC001087819213 1086427001 /nfs/dbraw/zinc/42/70/01/1086427001.db2.gz LFKSJDSIABQTHM-JKSUJKDBSA-N 0 3 316.470 3.232 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C(C)C)c2C)[C@H]1CC ZINC001087823249 1086429074 /nfs/dbraw/zinc/42/90/74/1086429074.db2.gz LOCIPEHSUSSOQZ-ZWKOTPCHSA-N 0 3 317.477 3.455 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(CCCC)cc3)C[C@@H]2C1 ZINC001088032766 1086530112 /nfs/dbraw/zinc/53/01/12/1086530112.db2.gz CNCKYTUECJZZAM-UXHICEINSA-N 0 3 324.468 3.056 20 30 DGEDHN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)CCCC#N ZINC001271252750 1086556678 /nfs/dbraw/zinc/55/66/78/1086556678.db2.gz PGMGGDZTEJEVGB-ZACQAIPSSA-N 0 3 305.466 3.182 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CC3CCCC3)C[C@@H]2C1 ZINC001088128320 1086617156 /nfs/dbraw/zinc/61/71/56/1086617156.db2.gz JYTIZVZFUSEQBX-OTWHNJEPSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001088160283 1086630763 /nfs/dbraw/zinc/63/07/63/1086630763.db2.gz LHLKMKOXYIAJJL-UXHICEINSA-N 0 3 324.468 3.227 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CC(C)C1)c1ccccc1CC ZINC001271445653 1086634424 /nfs/dbraw/zinc/63/44/24/1086634424.db2.gz HIEDXQKVENXPJI-KVWWFHCMSA-N 0 3 312.457 3.065 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc[nH]c1C)c1ccccc1CC ZINC001271448483 1086643501 /nfs/dbraw/zinc/64/35/01/1086643501.db2.gz WWGHMTYXKJZHMM-GOSISDBHSA-N 0 3 311.429 3.132 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001271476107 1086666770 /nfs/dbraw/zinc/66/67/70/1086666770.db2.gz SEQCOOJXQOWFAZ-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccc(C)cc1)C(C)C ZINC001482541334 1086831448 /nfs/dbraw/zinc/83/14/48/1086831448.db2.gz OAHJKWZHJJDYRG-MRXNPFEDSA-N 0 3 308.853 3.020 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001088380655 1086892524 /nfs/dbraw/zinc/89/25/24/1086892524.db2.gz MTYOWCCIUAFFJE-CABCVRRESA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)c1ccccc1)C(C)C ZINC001482569422 1086947074 /nfs/dbraw/zinc/94/70/74/1086947074.db2.gz ZHQNBXQKXRGBCP-INIZCTEOSA-N 0 3 322.880 3.447 20 30 DGEDHN CC[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C#CC1CC1 ZINC001482594935 1087024365 /nfs/dbraw/zinc/02/43/65/1087024365.db2.gz DSUPJXXIMDBVCV-SFHVURJKSA-N 0 3 316.420 3.080 20 30 DGEDHN C=CC1(CC(=O)NCCCNCc2cc(C)no2)CCCCC1 ZINC001168182773 1087028899 /nfs/dbraw/zinc/02/88/99/1087028899.db2.gz LYMZPJDTRCLHRV-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1nc(C)sc1C ZINC001482867210 1087175436 /nfs/dbraw/zinc/17/54/36/1087175436.db2.gz FVWUPRXVEXCDPW-PXAZEXFGSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(C2CC2)c1 ZINC001482904621 1087185832 /nfs/dbraw/zinc/18/58/32/1087185832.db2.gz ZAHGFVVOVKXJLR-ZDUSSCGKSA-N 0 3 306.837 3.415 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001482928891 1087190290 /nfs/dbraw/zinc/19/02/90/1087190290.db2.gz PVWOVJIIYRPIDK-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001482952872 1087198230 /nfs/dbraw/zinc/19/82/30/1087198230.db2.gz ZRIQNRHUJOBCKH-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001272105760 1087203737 /nfs/dbraw/zinc/20/37/37/1087203737.db2.gz PIQWMWDKUKHZQO-MRXNPFEDSA-N 0 3 310.482 3.081 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001272137018 1087216943 /nfs/dbraw/zinc/21/69/43/1087216943.db2.gz BJRRYXBPHUEODM-DLBZAZTESA-N 0 3 306.494 3.252 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001483011097 1087234970 /nfs/dbraw/zinc/23/49/70/1087234970.db2.gz FEGWAKPAOXFJGD-AATRIKPKSA-N 0 3 304.409 3.190 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1CC(C)C ZINC001272185305 1087236444 /nfs/dbraw/zinc/23/64/44/1087236444.db2.gz KQQNUPSEWUJBNE-UHFFFAOYSA-N 0 3 302.462 3.465 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3ccc(C)nc32)[C@H]1C ZINC001088650409 1087244722 /nfs/dbraw/zinc/24/47/22/1087244722.db2.gz RZPGYILIQYYGDX-QAPCUYQASA-N 0 3 323.440 3.312 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001101008631 1087299684 /nfs/dbraw/zinc/29/96/84/1087299684.db2.gz NTMHUONXJXYMSH-VEAWUBTESA-N 0 3 324.827 3.166 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H]1CNCc1nc(C)sc1C ZINC001272242531 1087391214 /nfs/dbraw/zinc/39/12/14/1087391214.db2.gz DPYNOLNTOHZZPZ-GJZGRUSLSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001483157231 1087407275 /nfs/dbraw/zinc/40/72/75/1087407275.db2.gz DTRUCXILXCQCJQ-BDJLRTHQSA-N 0 3 322.399 3.259 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001483212125 1087420544 /nfs/dbraw/zinc/42/05/44/1087420544.db2.gz JGYGPRFUPFOYKZ-LULHVWEPSA-N 0 3 318.848 3.142 20 30 DGEDHN C#CCCCC(=O)N(C)CCN[C@@H](C)c1ccccc1Cl ZINC001493534153 1087455375 /nfs/dbraw/zinc/45/53/75/1087455375.db2.gz NCCKYKNSSNHCNP-AWEZNQCLSA-N 0 3 306.837 3.253 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2scnc2C)CCCC1 ZINC001483301085 1087463138 /nfs/dbraw/zinc/46/31/38/1087463138.db2.gz KPICOVKVJJTQFI-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1cccc(OC)c1 ZINC001483341310 1087476594 /nfs/dbraw/zinc/47/65/94/1087476594.db2.gz CCDYDPAXZLFDRE-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483381362 1087486431 /nfs/dbraw/zinc/48/64/31/1087486431.db2.gz XFYRKZAFOQKYTM-BEFAXECRSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001483405026 1087493268 /nfs/dbraw/zinc/49/32/68/1087493268.db2.gz GDPXXXKWMKLIJT-KGLIPLIRSA-N 0 3 300.402 3.159 20 30 DGEDHN CC(C)CCC(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001483450466 1087506114 /nfs/dbraw/zinc/50/61/14/1087506114.db2.gz QMRZPISENWEINP-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001483500772 1087516409 /nfs/dbraw/zinc/51/64/09/1087516409.db2.gz ACUWXMSMGXGRRL-LSDHHAIUSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112107405 1087561347 /nfs/dbraw/zinc/56/13/47/1087561347.db2.gz CENHKEKETWGCKG-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H]1C ZINC001088877181 1087594550 /nfs/dbraw/zinc/59/45/50/1087594550.db2.gz BYWHFXUUJDRBBT-ABAIWWIYSA-N 0 3 310.800 3.248 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001483641246 1087595132 /nfs/dbraw/zinc/59/51/32/1087595132.db2.gz FOGGQWDIOJWFCI-ICSRJNTNSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OCC)c(C)c2)[C@H]1C ZINC001088893011 1087599485 /nfs/dbraw/zinc/59/94/85/1087599485.db2.gz CRQPTQYZSBHPCW-WBVHZDCISA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)[C@H]1C ZINC001088983438 1087614787 /nfs/dbraw/zinc/61/47/87/1087614787.db2.gz XCXCSYZBDVDIFQ-BEFAXECRSA-N 0 3 310.441 3.415 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C3CCCC3)no2)[C@H]1C ZINC001089048831 1087627057 /nfs/dbraw/zinc/62/70/57/1087627057.db2.gz HEEWABYPLNHWBP-HIFRSBDPSA-N 0 3 317.433 3.101 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2CC(C)C)[C@H]1C ZINC001089068771 1087630526 /nfs/dbraw/zinc/63/05/26/1087630526.db2.gz UDITZBBZEZGOPF-APWZRJJASA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001099116505 1087654331 /nfs/dbraw/zinc/65/43/31/1087654331.db2.gz SOPVKZDRVXHBMJ-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](CC)CC(F)(F)F ZINC001483693570 1087672298 /nfs/dbraw/zinc/67/22/98/1087672298.db2.gz FEONRUZVRMAGIY-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001483693872 1087672306 /nfs/dbraw/zinc/67/23/06/1087672306.db2.gz QJDCTWRFQWQUGP-SFHVURJKSA-N 0 3 314.473 3.429 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001483701809 1087676928 /nfs/dbraw/zinc/67/69/28/1087676928.db2.gz KIFSQRMYNGPYOT-MRXNPFEDSA-N 0 3 312.413 3.050 20 30 DGEDHN CCC(CC)CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272419976 1087697096 /nfs/dbraw/zinc/69/70/96/1087697096.db2.gz BHLNNEKHRNCKFU-SFHVURJKSA-N 0 3 305.466 3.183 20 30 DGEDHN CCC[C@H](C)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483721282 1087700305 /nfs/dbraw/zinc/70/03/05/1087700305.db2.gz TUOYUUYUSSAGQJ-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN CCCCCCCN1CCC[C@]12CCN([C@@H](C)C(C)=O)C2=O ZINC001272476360 1087719286 /nfs/dbraw/zinc/71/92/86/1087719286.db2.gz LSSGGISGWLFPFV-MAUKXSAKSA-N 0 3 308.466 3.001 20 30 DGEDHN CCCCCCCN1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001272477787 1087721603 /nfs/dbraw/zinc/72/16/03/1087721603.db2.gz CEGMUKDSEDIWCD-INIZCTEOSA-N 0 3 302.409 3.289 20 30 DGEDHN CC1(C)C[C@H](NC(=O)C2CC2)CCN(CC#Cc2ccccc2)C1 ZINC001089293235 1087744164 /nfs/dbraw/zinc/74/41/64/1087744164.db2.gz OCTLXROMOFRCLR-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(F)(F)F ZINC001158270308 1087753302 /nfs/dbraw/zinc/75/33/02/1087753302.db2.gz JLLXMIGPXSDECR-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)NCCNCc1ccnn1C ZINC001151848107 1087793986 /nfs/dbraw/zinc/79/39/86/1087793986.db2.gz FQCQINSTDAOKDW-INIZCTEOSA-N 0 3 322.497 3.013 20 30 DGEDHN CCCCCCCC[C@@H](C)C(=O)NCCNCc1cnn(C)c1 ZINC001151848838 1087797109 /nfs/dbraw/zinc/79/71/09/1087797109.db2.gz SOPWCDAGXZAHRN-MRXNPFEDSA-N 0 3 322.497 3.013 20 30 DGEDHN CCCCC[C@@H](CC)C(=O)NCCNCc1cccc(C#N)c1 ZINC001151890536 1087808944 /nfs/dbraw/zinc/80/89/44/1087808944.db2.gz MBMCSMRAYKEXJR-GOSISDBHSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccoc1C1CC1 ZINC001158397185 1087809155 /nfs/dbraw/zinc/80/91/55/1087809155.db2.gz IXMFXJGWIVLZKR-OAHLLOKOSA-N 0 3 302.418 3.270 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)CCOCC1CC1 ZINC001158426094 1087830098 /nfs/dbraw/zinc/83/00/98/1087830098.db2.gz HKIVSLKAZDULDW-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)CCOC(C)C ZINC001158427298 1087830951 /nfs/dbraw/zinc/83/09/51/1087830951.db2.gz ZNSMQKRALVKRHY-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCCC2)CC(C)(C)C1 ZINC001089309923 1087848921 /nfs/dbraw/zinc/84/89/21/1087848921.db2.gz PIOYPNFOMWFZBU-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@@H](C(=O)NCCNCc1ccc(F)cc1)c1ccccc1 ZINC001151991033 1087857235 /nfs/dbraw/zinc/85/72/35/1087857235.db2.gz VMQRGDNLEXJRIJ-GOSISDBHSA-N 0 3 312.388 3.001 20 30 DGEDHN C=C[C@H](C(=O)NCCNCc1ccc(F)cc1)c1ccccc1 ZINC001151991035 1087859266 /nfs/dbraw/zinc/85/92/66/1087859266.db2.gz VMQRGDNLEXJRIJ-SFHVURJKSA-N 0 3 312.388 3.001 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cnccc2C)CCCCC1 ZINC001152010847 1087870208 /nfs/dbraw/zinc/87/02/08/1087870208.db2.gz RPDSAKUPRLPUDZ-UHFFFAOYSA-N 0 3 315.461 3.122 20 30 DGEDHN Cc1cc(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)ncc1C#N ZINC001158524543 1087894960 /nfs/dbraw/zinc/89/49/60/1087894960.db2.gz WOXORYVTPHKMRK-IAGOWNOFSA-N 0 3 320.440 3.361 20 30 DGEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1ccco1)CC2 ZINC001272586467 1087960364 /nfs/dbraw/zinc/96/03/64/1087960364.db2.gz ZMLSVJMQQNKBBO-UHFFFAOYSA-N 0 3 302.418 3.060 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001168472599 1087973305 /nfs/dbraw/zinc/97/33/05/1087973305.db2.gz YMAKSELGBXVSEP-CQSZACIVSA-N 0 3 308.853 3.201 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001158709744 1087985362 /nfs/dbraw/zinc/98/53/62/1087985362.db2.gz SJLOUAYOICCPTR-MRXNPFEDSA-N 0 3 315.461 3.006 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cccc(C)c1 ZINC001099214934 1088015233 /nfs/dbraw/zinc/01/52/33/1088015233.db2.gz OAUJKBLTKDQQLT-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cccc(C)c1 ZINC001099214935 1088015267 /nfs/dbraw/zinc/01/52/67/1088015267.db2.gz OAUJKBLTKDQQLT-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 ZINC001158781069 1088025673 /nfs/dbraw/zinc/02/56/73/1088025673.db2.gz KRLLCRHBGZUTKW-MRXNPFEDSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC001158787479 1088029845 /nfs/dbraw/zinc/02/98/45/1088029845.db2.gz USWKUTKWAJQSCF-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(F)cc1F ZINC001158812085 1088043875 /nfs/dbraw/zinc/04/38/75/1088043875.db2.gz WWFQGRISQNUGKC-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(CC)cc1 ZINC001158818246 1088046282 /nfs/dbraw/zinc/04/62/82/1088046282.db2.gz FMAMPSDOHNCRQO-GOSISDBHSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2c(s1)CCC2 ZINC001158825426 1088054560 /nfs/dbraw/zinc/05/45/60/1088054560.db2.gz VWWNKWHIQCOETF-OAHLLOKOSA-N 0 3 318.486 3.349 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccccc1F ZINC001158847624 1088069512 /nfs/dbraw/zinc/06/95/12/1088069512.db2.gz ZZCHTAFQYHXEDZ-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccccc1 ZINC001158901555 1088089770 /nfs/dbraw/zinc/08/97/70/1088089770.db2.gz XFZZCZLZVQIBJR-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cncc2ccccc21 ZINC001158909750 1088094125 /nfs/dbraw/zinc/09/41/25/1088094125.db2.gz XOXWOYZGRCHFTM-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C)c(F)c1 ZINC001153025110 1088144246 /nfs/dbraw/zinc/14/42/46/1088144246.db2.gz QBLLYIILOFJLTI-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1cccc(OC)c1Cl ZINC001159032363 1088153441 /nfs/dbraw/zinc/15/34/41/1088153441.db2.gz BZGIVOURFPIIGW-UHFFFAOYSA-N 0 3 324.852 3.301 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1nsc2ccccc21 ZINC001159032674 1088153739 /nfs/dbraw/zinc/15/37/39/1088153739.db2.gz PWKJQUDLMCINQL-UHFFFAOYSA-N 0 3 317.458 3.249 20 30 DGEDHN CC(C)=CC(=O)NCCC1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC001159187409 1088227122 /nfs/dbraw/zinc/22/71/22/1088227122.db2.gz NMSISDUYMOIPEZ-UHFFFAOYSA-N 0 3 323.440 3.163 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203452423 1088310999 /nfs/dbraw/zinc/31/09/99/1088310999.db2.gz ONZOEBPSCKVAGW-KGLIPLIRSA-N 0 3 310.869 3.358 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001123234450 1088368765 /nfs/dbraw/zinc/36/87/65/1088368765.db2.gz VDADNHSNWNDGIG-YNEHKIRRSA-N 0 3 305.809 3.466 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2sccc2s1 ZINC001154024630 1088443719 /nfs/dbraw/zinc/44/37/19/1088443719.db2.gz AVBJYCWRNDTXDL-LLVKDONJSA-N 0 3 306.456 3.036 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2ccco2)o1 ZINC001154269825 1088543809 /nfs/dbraw/zinc/54/38/09/1088543809.db2.gz XKDAYISYNUVEEC-CQSZACIVSA-N 0 3 314.385 3.003 20 30 DGEDHN Cc1nc(N[C@@H]2CCc3c2cccc3C#N)cc(N2CCCC2)n1 ZINC001159914351 1088547201 /nfs/dbraw/zinc/54/72/01/1088547201.db2.gz KWBZBUPMYARKED-QGZVFWFLSA-N 0 3 319.412 3.356 20 30 DGEDHN N#Cc1ccccc1CNCCCNC(=O)CCC1CCCC1 ZINC001154278209 1088547568 /nfs/dbraw/zinc/54/75/68/1088547568.db2.gz SFWNAQQMIYAQJX-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cs2)CC(C)(C)C1 ZINC001089383161 1088555734 /nfs/dbraw/zinc/55/57/34/1088555734.db2.gz WXNCFDJWJSBOHM-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001483760571 1088556333 /nfs/dbraw/zinc/55/63/33/1088556333.db2.gz QURAXJXGTYQKRI-OAHLLOKOSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(F)cc3C)CC2)C1=O ZINC001272666475 1088590414 /nfs/dbraw/zinc/59/04/14/1088590414.db2.gz CFJDNQLUUSKBDY-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)CC(C)(C)C1 ZINC001089436450 1088600097 /nfs/dbraw/zinc/60/00/97/1088600097.db2.gz XAYYHAIQMLNHOM-INIZCTEOSA-N 0 3 316.445 3.058 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC(C)(C)C1 ZINC001089445785 1088615041 /nfs/dbraw/zinc/61/50/41/1088615041.db2.gz MIHXDWKLUJRESB-ZJPYXAASSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)CC(C)(C)C1 ZINC001089454532 1088632857 /nfs/dbraw/zinc/63/28/57/1088632857.db2.gz YEXKTPHTOIRHBS-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C)CC(C)(C)C1 ZINC001089549226 1088734892 /nfs/dbraw/zinc/73/48/92/1088734892.db2.gz VRPFXRYEQKIFTR-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)CC(C)(C)C1 ZINC001089552577 1088736900 /nfs/dbraw/zinc/73/69/00/1088736900.db2.gz OWCMVLREXCEQEI-MRXNPFEDSA-N 0 3 324.424 3.286 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C\Cc1ccccc1 ZINC001160318986 1088756519 /nfs/dbraw/zinc/75/65/19/1088756519.db2.gz RELQXDUOJJRSNX-WAYWQWQTSA-N 0 3 306.837 3.024 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC001272675813 1088826759 /nfs/dbraw/zinc/82/67/59/1088826759.db2.gz RWFOTCLUTVUZIQ-MOPGFXCFSA-N 0 3 312.457 3.050 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1(CC)CCC1 ZINC001272675871 1088827651 /nfs/dbraw/zinc/82/76/51/1088827651.db2.gz UOVSVLZEJNUZOF-UHFFFAOYSA-N 0 3 312.457 3.338 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCc1ccc(C)cc1 ZINC001154999943 1088887829 /nfs/dbraw/zinc/88/78/29/1088887829.db2.gz SXHOVJIDWAAIFC-GOSISDBHSA-N 0 3 314.473 3.168 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001089648329 1088888441 /nfs/dbraw/zinc/88/84/41/1088888441.db2.gz JJEXYNILBNGDLX-QGZVFWFLSA-N 0 3 315.461 3.105 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCc2ccc(C)cc2)CC1 ZINC001160634931 1088901257 /nfs/dbraw/zinc/90/12/57/1088901257.db2.gz INMXULAGDQNALL-UHFFFAOYSA-N 0 3 312.457 3.252 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CCF)C2CCCCCC2)C1 ZINC001483813030 1088918671 /nfs/dbraw/zinc/91/86/71/1088918671.db2.gz BZJSBLZOSNZHGK-UHFFFAOYSA-N 0 3 310.457 3.453 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC(C)C ZINC001483823401 1088938656 /nfs/dbraw/zinc/93/86/56/1088938656.db2.gz GVDAYVMVIICFMZ-HDICACEKSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@]3(CCN(C[C@@H](F)CC)C3)C2)CCC1 ZINC001483849655 1088952061 /nfs/dbraw/zinc/95/20/61/1088952061.db2.gz ZPGTVZDRGZZICL-FUHWJXTLSA-N 0 3 322.468 3.405 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001483920079 1089003673 /nfs/dbraw/zinc/00/36/73/1089003673.db2.gz MSOCTVDHKJZIOU-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC1=CCN(CCOCC(C)C)CC1 ZINC001160888270 1089004347 /nfs/dbraw/zinc/00/43/47/1089004347.db2.gz HBAQPWXLDVODCN-UHFFFAOYSA-N 0 3 322.493 3.010 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001089657184 1089018986 /nfs/dbraw/zinc/01/89/86/1089018986.db2.gz ARUOOSCXMUKPRW-HOTGVXAUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001089657255 1089019448 /nfs/dbraw/zinc/01/94/48/1089019448.db2.gz BPYGXHHKHPUZDV-UONOGXRCSA-N 0 3 314.420 3.215 20 30 DGEDHN Cc1cc(Cl)nc(-n2c3ccccc3nc2[C@H](C)N)c1C#N ZINC001155248344 1089024452 /nfs/dbraw/zinc/02/44/52/1089024452.db2.gz SHKHPSZSSWJJFW-JTQLQIEISA-N 0 3 311.776 3.274 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cnc(OCc2ccccc2)cn1 ZINC001160953782 1089042946 /nfs/dbraw/zinc/04/29/46/1089042946.db2.gz JYKBISWBBDRMJI-KRWDZBQOSA-N 0 3 324.428 3.118 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2occc2C(C)C)CC1 ZINC001160992685 1089063221 /nfs/dbraw/zinc/06/32/21/1089063221.db2.gz ZEYKNLNZHFUZRB-UHFFFAOYSA-N 0 3 314.429 3.178 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001483977245 1089065178 /nfs/dbraw/zinc/06/51/78/1089065178.db2.gz WKBBIDMISGRMIH-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@H]1CCC)C1CCN(CC=C)CC1 ZINC001483984100 1089067561 /nfs/dbraw/zinc/06/75/61/1089067561.db2.gz SGIOORXTASCPAE-MJGOQNOKSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)C(CC=C)CC=C)C1CCN(CC(=C)C)CC1 ZINC001483985414 1089070744 /nfs/dbraw/zinc/07/07/44/1089070744.db2.gz WIECCCWSOYOCOT-UHFFFAOYSA-N 0 3 314.473 3.257 20 30 DGEDHN C#CCN(C(=O)CCCCCC)C1CCN(CC(=C)C)CC1 ZINC001483989548 1089071822 /nfs/dbraw/zinc/07/18/22/1089071822.db2.gz NQIOZUFAEYMBBO-UHFFFAOYSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)C1CCN(CC=C(C)C)CC1 ZINC001483988502 1089072205 /nfs/dbraw/zinc/07/22/05/1089072205.db2.gz CWMRTXUNCQWWBC-RTBURBONSA-N 0 3 316.489 3.171 20 30 DGEDHN CC#CCNC[C@@H](NC(=O)C(C)C)c1ccc2ccccc2c1 ZINC001483993073 1089078727 /nfs/dbraw/zinc/07/87/27/1089078727.db2.gz SLYYRYJOLSFAAR-LJQANCHMSA-N 0 3 308.425 3.266 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccc2ccccc2c1 ZINC001483993780 1089079360 /nfs/dbraw/zinc/07/93/60/1089079360.db2.gz ZTOQMWWMWDSENH-RTBURBONSA-N 0 3 320.436 3.266 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001483994928 1089081145 /nfs/dbraw/zinc/08/11/45/1089081145.db2.gz FSDBMJLHXQADAY-ZPRVWAONSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCCCCC(=O)N[C@@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001484040410 1089129685 /nfs/dbraw/zinc/12/96/85/1089129685.db2.gz IBAIAZTXQFNTIN-DGDFFNOKSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001155490110 1089134495 /nfs/dbraw/zinc/13/44/95/1089134495.db2.gz UPEKWVHQHHLUNO-CQSZACIVSA-N 0 3 323.506 3.115 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001484065153 1089153572 /nfs/dbraw/zinc/15/35/72/1089153572.db2.gz KGMFILISBZPHDP-RDTXWAMCSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCC(=O)NCCCNCc1c(Cl)cccc1OCC ZINC001155587023 1089176604 /nfs/dbraw/zinc/17/66/04/1089176604.db2.gz UPNHVOBGTLRDNS-UHFFFAOYSA-N 0 3 324.852 3.301 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001089690880 1089179845 /nfs/dbraw/zinc/17/98/45/1089179845.db2.gz VNQNSTYEVRMLGK-FUHWJXTLSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cnc3ccccc3c2)CC1 ZINC001161328357 1089196792 /nfs/dbraw/zinc/19/67/92/1089196792.db2.gz UOROCTGADFNGQB-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2CCCCCCC2)CC1 ZINC001484139366 1089217613 /nfs/dbraw/zinc/21/76/13/1089217613.db2.gz JXEHJTMDYFNLPV-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001155718712 1089225674 /nfs/dbraw/zinc/22/56/74/1089225674.db2.gz QBLYFIXXUSLQJT-FVQBIDKESA-N 0 3 318.486 3.010 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(C)c(F)ccc1Cl ZINC001161412420 1089230104 /nfs/dbraw/zinc/23/01/04/1089230104.db2.gz BQVXJQYSUXEGIC-UHFFFAOYSA-N 0 3 319.207 3.250 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001161425853 1089237925 /nfs/dbraw/zinc/23/79/25/1089237925.db2.gz COTBPVOYKRTFNF-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001484165124 1089257250 /nfs/dbraw/zinc/25/72/50/1089257250.db2.gz MVBRRNVRSJBXEF-LJQANCHMSA-N 0 3 316.489 3.198 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC001161510015 1089265894 /nfs/dbraw/zinc/26/58/94/1089265894.db2.gz WCTDZSNVPYSXLA-LJQANCHMSA-N 0 3 324.468 3.431 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001484179677 1089269309 /nfs/dbraw/zinc/26/93/09/1089269309.db2.gz XYBNEYRDCALVQP-GOSISDBHSA-N 0 3 306.494 3.463 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001484175643 1089272391 /nfs/dbraw/zinc/27/23/91/1089272391.db2.gz RUDWWKIUMFPYPC-VQTJNVASSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001089708136 1089275028 /nfs/dbraw/zinc/27/50/28/1089275028.db2.gz CIIBHNMVMWGGEI-YESZJQIVSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001089708706 1089277419 /nfs/dbraw/zinc/27/74/19/1089277419.db2.gz LDNOTEIDGLPTRM-YESZJQIVSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cccn1CC ZINC001089731329 1089312204 /nfs/dbraw/zinc/31/22/04/1089312204.db2.gz DCXSPAFJELOZSF-INIZCTEOSA-N 0 3 317.477 3.305 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001089735841 1089318134 /nfs/dbraw/zinc/31/81/34/1089318134.db2.gz JYHSWSXXINTXJM-UCIFAOBLSA-N 0 3 316.489 3.071 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001155979781 1089330392 /nfs/dbraw/zinc/33/03/92/1089330392.db2.gz JJAOFCQMKLIADZ-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C=C2CCCCC2)cc1 ZINC001272681978 1089368816 /nfs/dbraw/zinc/36/88/16/1089368816.db2.gz DRYHXHPOODFDMP-MRXNPFEDSA-N 0 3 310.441 3.477 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC2CCC1CC2 ZINC001484401941 1089406284 /nfs/dbraw/zinc/40/62/84/1089406284.db2.gz YUFKRPVXANTHNI-UUKMXZOPSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC=C)CCCC1 ZINC001484467549 1089435777 /nfs/dbraw/zinc/43/57/77/1089435777.db2.gz LARXXELZUPUKSL-IRXDYDNUSA-N 0 3 302.462 3.374 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001484512836 1089453692 /nfs/dbraw/zinc/45/36/92/1089453692.db2.gz JLLVYXZOCLGVLE-INIZCTEOSA-N 0 3 310.869 3.458 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CCC1 ZINC001089793262 1089471586 /nfs/dbraw/zinc/47/15/86/1089471586.db2.gz UMAOQGSYZSBSSF-NXOAAHMSSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001484546367 1089483134 /nfs/dbraw/zinc/48/31/34/1089483134.db2.gz GLYFXTSMXFIDNI-HUUCEWRRSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCCCC)C[C@H]1OC ZINC001212320961 1089486994 /nfs/dbraw/zinc/48/69/94/1089486994.db2.gz LGQPESWULYHYKU-QZTJIDSGSA-N 0 3 322.493 3.151 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001484557364 1089493405 /nfs/dbraw/zinc/49/34/05/1089493405.db2.gz KEWUJEYSQLEKHW-VQIMIIECSA-N 0 3 312.457 3.194 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC001156389940 1089502931 /nfs/dbraw/zinc/50/29/31/1089502931.db2.gz AHPHZEITYISGKW-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001161986914 1089513396 /nfs/dbraw/zinc/51/33/96/1089513396.db2.gz NICBHEUOOFPZBI-MJGOQNOKSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(C)cccc2F)CC1 ZINC001162003010 1089518993 /nfs/dbraw/zinc/51/89/93/1089518993.db2.gz SJMFVPUNHPYQPZ-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001162029342 1089535120 /nfs/dbraw/zinc/53/51/20/1089535120.db2.gz GOPBICAJJAXBEV-UHFFFAOYSA-N 0 3 322.880 3.276 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CCC1 ZINC001484642099 1089557915 /nfs/dbraw/zinc/55/79/15/1089557915.db2.gz MIEIIQYZCSLZLK-RTBURBONSA-N 0 3 324.468 3.222 20 30 DGEDHN N#Cc1ccnc(NC[C@H](c2ccccc2)N2CCCC2)c1F ZINC001156530257 1089563118 /nfs/dbraw/zinc/56/31/18/1089563118.db2.gz IKIROIJDXSDLOQ-MRXNPFEDSA-N 0 3 310.376 3.341 20 30 DGEDHN N#Cc1c(F)ccnc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001156530986 1089563146 /nfs/dbraw/zinc/56/31/46/1089563146.db2.gz LPHHERYHGQKFTK-KRWDZBQOSA-N 0 3 310.376 3.341 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001162251955 1089637198 /nfs/dbraw/zinc/63/71/98/1089637198.db2.gz ZGIZZSNHOIRMDG-IRXDYDNUSA-N 0 3 320.864 3.419 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@H]2CCCN(CCF)C2)C1 ZINC001484770741 1089671435 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C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001484965789 1089779827 /nfs/dbraw/zinc/77/98/27/1089779827.db2.gz CMNLRYGRVWEHPJ-DOTOQJQBSA-N 0 3 316.445 3.131 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001484975165 1089793089 /nfs/dbraw/zinc/79/30/89/1089793089.db2.gz CGHUWWGLYLPXKY-FUHWJXTLSA-N 0 3 315.461 3.215 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)CC=C(C)C)cc1 ZINC001485061326 1089914350 /nfs/dbraw/zinc/91/43/50/1089914350.db2.gz SORHVBZFPLNVBQ-LJQANCHMSA-N 0 3 310.441 3.171 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc2nc(C#N)ccc2c1 ZINC001162777245 1089948700 /nfs/dbraw/zinc/94/87/00/1089948700.db2.gz OHVVODHWHJJEPO-GFCCVEGCSA-N 0 3 313.364 3.465 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc(CC#N)c([N+](=O)[O-])c1 ZINC001162777343 1089950065 /nfs/dbraw/zinc/95/00/65/1089950065.db2.gz QQQNLCYIDXIGFK-LLVKDONJSA-N 0 3 321.340 3.019 20 30 DGEDHN COc1c(C#N)c(F)ccc1-n1c2ccccc2nc1[C@H](C)N ZINC001162778540 1089950554 /nfs/dbraw/zinc/95/05/54/1089950554.db2.gz MHCKQBPZOLVMCU-JTQLQIEISA-N 0 3 310.332 3.065 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)CCC1CCC1 ZINC001485133363 1089968898 /nfs/dbraw/zinc/96/88/98/1089968898.db2.gz GZZTWGWLZHUWBS-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162892550 1090011826 /nfs/dbraw/zinc/01/18/26/1090011826.db2.gz OLUARLWNEHJQHO-SJORKVTESA-N 0 3 320.452 3.075 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162897900 1090012338 /nfs/dbraw/zinc/01/23/38/1090012338.db2.gz OJXSMLOEOMFEIE-QGZVFWFLSA-N 0 3 320.452 3.219 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccccc1F ZINC001485244545 1090052978 /nfs/dbraw/zinc/05/29/78/1090052978.db2.gz CHWHTASZDYFHME-UHFFFAOYSA-N 0 3 312.816 3.266 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1cc2ccccc2o1 ZINC001485301532 1090091144 /nfs/dbraw/zinc/09/11/44/1090091144.db2.gz NMORWYNIWDMXRB-OAHLLOKOSA-N 0 3 312.413 3.029 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485306166 1090101963 /nfs/dbraw/zinc/10/19/63/1090101963.db2.gz JJJSJDNGLODTHI-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2cc(F)ccc2C)C1 ZINC001485349356 1090119205 /nfs/dbraw/zinc/11/92/05/1090119205.db2.gz JZMLPJCRRWMHRK-HNNXBMFYSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C)CCC1 ZINC001089847855 1090121590 /nfs/dbraw/zinc/12/15/90/1090121590.db2.gz YLHCYRRJAYPNOT-FZKCQIBNSA-N 0 3 322.880 3.098 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157856337 1090133241 /nfs/dbraw/zinc/13/32/41/1090133241.db2.gz IJCPCVSOGKAGLZ-GOSISDBHSA-N 0 3 304.478 3.459 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001485373693 1090134969 /nfs/dbraw/zinc/13/49/69/1090134969.db2.gz VAAWYLXESLFHKE-IRXDYDNUSA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(c2ccccc2C)CCC1 ZINC001485378778 1090137469 /nfs/dbraw/zinc/13/74/69/1090137469.db2.gz YTXRNOIKVBHQEL-INIZCTEOSA-N 0 3 300.446 3.039 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC ZINC001212347052 1090144801 /nfs/dbraw/zinc/14/48/01/1090144801.db2.gz QJALLVVWXDDWEZ-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001493963936 1090149265 /nfs/dbraw/zinc/14/92/65/1090149265.db2.gz IMTPQMVIOROLDY-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1c(C)cccc1C ZINC001158005480 1090170376 /nfs/dbraw/zinc/17/03/76/1090170376.db2.gz XOXVLYHOMDSYOY-GOSISDBHSA-N 0 3 314.473 3.345 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001485479512 1090185122 /nfs/dbraw/zinc/18/51/22/1090185122.db2.gz LISYRHFKGOSQMR-NDDJGDGRSA-N 0 3 324.468 3.169 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001485528414 1090197836 /nfs/dbraw/zinc/19/78/36/1090197836.db2.gz CNOALUQJOGPPCA-NVXWUHKLSA-N 0 3 312.457 3.119 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485582363 1090218526 /nfs/dbraw/zinc/21/85/26/1090218526.db2.gz ORXJGRUVEZSSSS-JKSUJKDBSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)CCCC)C[C@]2(C)C1 ZINC001485666861 1090235493 /nfs/dbraw/zinc/23/54/93/1090235493.db2.gz SMZZUCVGINTMQN-QRQLOZEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(C)cs1 ZINC001485721389 1090250611 /nfs/dbraw/zinc/25/06/11/1090250611.db2.gz MYIZTVZOTSUNRG-LBPRGKRZSA-N 0 3 300.855 3.297 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC[C@H](C)CC2)cc1 ZINC001272700701 1090251402 /nfs/dbraw/zinc/25/14/02/1090251402.db2.gz MBMXVUSWNRBCAH-BXWFABGCSA-N 0 3 312.457 3.413 20 30 DGEDHN [O-]c1ccc([NH+]=C(NO)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001163769360 1090254510 /nfs/dbraw/zinc/25/45/10/1090254510.db2.gz XAFXERUPQKBCMK-UHFFFAOYSA-N 0 3 312.247 3.348 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C)c(OC)c1 ZINC001485731368 1090258510 /nfs/dbraw/zinc/25/85/10/1090258510.db2.gz ZGHNRYCAKJLTFS-CQSZACIVSA-N 0 3 324.852 3.244 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1cc(Cl)ccc1F ZINC001163948773 1090294540 /nfs/dbraw/zinc/29/45/40/1090294540.db2.gz TUXMRACNCKPONU-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCCCCCCN1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001272701979 1090297479 /nfs/dbraw/zinc/29/74/79/1090297479.db2.gz MZIFQJIVCQGKNP-KRWDZBQOSA-N 0 3 314.420 3.455 20 30 DGEDHN CC(C)(C)C(C)(C)C(=O)NCCCNCc1ccccc1C#N ZINC001163977388 1090305641 /nfs/dbraw/zinc/30/56/41/1090305641.db2.gz DIYOVHNWAGZVLP-UHFFFAOYSA-N 0 3 315.461 3.226 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2ccccc2C)cc1 ZINC001272707401 1090310854 /nfs/dbraw/zinc/31/08/54/1090310854.db2.gz AWJGBGVKDVVVFU-KRWDZBQOSA-N 0 3 320.436 3.138 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(CC)CC1 ZINC001089861530 1090313265 /nfs/dbraw/zinc/31/32/65/1090313265.db2.gz IGQMOWOJVNBUIP-JONQDZQNSA-N 0 3 322.880 3.098 20 30 DGEDHN CNc1ccc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)cc1 ZINC001164155560 1090357719 /nfs/dbraw/zinc/35/77/19/1090357719.db2.gz KCVLWLXQZVBMNF-LPYMAVHISA-N 0 3 307.401 3.433 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](CNCc1ccns1)C1CC1 ZINC001485820068 1090358798 /nfs/dbraw/zinc/35/87/98/1090358798.db2.gz MODDHQYPCWDEDA-OAHLLOKOSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164223265 1090377187 /nfs/dbraw/zinc/37/71/87/1090377187.db2.gz RSGNMSHEJXAFLV-STQMWFEESA-N 0 3 324.852 3.100 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001299260310 1090378200 /nfs/dbraw/zinc/37/82/00/1090378200.db2.gz RSIYAYXBXPXZJB-KRWDZBQOSA-N 0 3 302.462 3.268 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1cc(F)ccc1F ZINC001164324323 1090400641 /nfs/dbraw/zinc/40/06/41/1090400641.db2.gz SCAMPDFGMTUQCK-ZDUSSCGKSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001164346747 1090407472 /nfs/dbraw/zinc/40/74/72/1090407472.db2.gz WIHJUPMGDMMANW-ZDUSSCGKSA-N 0 3 310.388 3.163 20 30 DGEDHN CC[C@H](F)CN1CC[C@@]2(CNC(=O)C#CC(C)(C)C)CCC[C@@H]12 ZINC001107400045 1090432428 /nfs/dbraw/zinc/43/24/28/1090432428.db2.gz XJDGALNCAUHNAA-FRQCXROJSA-N 0 3 322.468 3.145 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001164494754 1090432742 /nfs/dbraw/zinc/43/27/42/1090432742.db2.gz QSEMNZQXNZBHPV-UONOGXRCSA-N 0 3 316.848 3.143 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCCC#CC)CCCCC1 ZINC001115681470 1090435885 /nfs/dbraw/zinc/43/58/85/1090435885.db2.gz LUSWUTVPXWZOTJ-UHFFFAOYSA-N 0 3 310.869 3.341 20 30 DGEDHN CC#CCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107512470 1090452971 /nfs/dbraw/zinc/45/29/71/1090452971.db2.gz CBNVLQMDXXEYIF-HQZILIFWSA-N 0 3 322.880 3.293 20 30 DGEDHN Cc1c(Cl)c(Cl)nc(N(C)CCN2CCCC2)c1C#N ZINC001165139426 1090470783 /nfs/dbraw/zinc/47/07/83/1090470783.db2.gz IOBNSBXNESGTJB-UHFFFAOYSA-N 0 3 313.232 3.101 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001107819908 1090509594 /nfs/dbraw/zinc/50/95/94/1090509594.db2.gz WOUDKBOOEQXJRC-YWDIDEJRSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(CC(C)C)CC2)CC1 ZINC001165391879 1090514095 /nfs/dbraw/zinc/51/40/95/1090514095.db2.gz XXORQHIQVBZJOS-UHFFFAOYSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001165414143 1090518641 /nfs/dbraw/zinc/51/86/41/1090518641.db2.gz WJLJLOOLDHKWET-UHFFFAOYSA-N 0 3 321.852 3.134 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107966669 1090575979 /nfs/dbraw/zinc/57/59/79/1090575979.db2.gz LEUBYXWOTIUGDW-QFBILLFUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCC(=O)NC[C@]1(C)CN(C[C@@H](C)CC(C)C)CCO1 ZINC001107976407 1090606486 /nfs/dbraw/zinc/60/64/86/1090606486.db2.gz LNUFKWGSURGHGU-PKOBYXMFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001166541266 1090617370 /nfs/dbraw/zinc/61/73/70/1090617370.db2.gz TZNQEMMHFXSLCP-KRWDZBQOSA-N 0 3 322.880 3.350 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(C(F)F)c1 ZINC001272824348 1090644810 /nfs/dbraw/zinc/64/48/10/1090644810.db2.gz PTXTZTWVQVXQPV-HZPDHXFCSA-N 0 3 320.383 3.376 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C(C)C)nc1 ZINC001272829365 1090648676 /nfs/dbraw/zinc/64/86/76/1090648676.db2.gz JDRIYVQFZDSJAG-ZDUSSCGKSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCC1(CNCc2ccns2)CC1 ZINC001166756054 1090652046 /nfs/dbraw/zinc/65/20/46/1090652046.db2.gz QMUPUBDODHOUQG-AWEZNQCLSA-N 0 3 321.490 3.122 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)CCC)CC1 ZINC001166924100 1090677920 /nfs/dbraw/zinc/67/79/20/1090677920.db2.gz VSOJCVONEGEEBV-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc(F)cc3)CC2)C1=O ZINC001272915746 1090679347 /nfs/dbraw/zinc/67/93/47/1090679347.db2.gz TWEHTCUQWNQVMB-LJQANCHMSA-N 0 3 316.420 3.216 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001167044277 1090702319 /nfs/dbraw/zinc/70/23/19/1090702319.db2.gz KBCKHCIWPKVINJ-LSDHHAIUSA-N 0 3 312.885 3.441 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203296283 1090715195 /nfs/dbraw/zinc/71/51/95/1090715195.db2.gz QCJYPDSUBKBPGS-HZPDHXFCSA-N 0 3 322.880 3.340 20 30 DGEDHN C#CC[C@H](COC)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001203295917 1090715357 /nfs/dbraw/zinc/71/53/57/1090715357.db2.gz ZOBYZVOPOHMBRR-MRXNPFEDSA-N 0 3 318.417 3.162 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485880661 1090716576 /nfs/dbraw/zinc/71/65/76/1090716576.db2.gz RIAJBSVRDGIMHU-CYBMUJFWSA-N 0 3 309.841 3.028 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cn3cc(Cl)ccc3n1)C2 ZINC001203447036 1090736328 /nfs/dbraw/zinc/73/63/28/1090736328.db2.gz KUIQRTJHINMZQP-INIZCTEOSA-N 0 3 322.799 3.116 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)[C@@H]1C ZINC001486085325 1090744441 /nfs/dbraw/zinc/74/44/41/1090744441.db2.gz QCCMXVNEPDYJNU-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3c2CCCCC3)C1 ZINC001486115909 1090753556 /nfs/dbraw/zinc/75/35/56/1090753556.db2.gz ULZCWQZQKKYQKZ-FUHWJXTLSA-N 0 3 324.468 3.171 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001486117836 1090754107 /nfs/dbraw/zinc/75/41/07/1090754107.db2.gz MVURCULKACBRPI-QUCCMNQESA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCOC2CCC2)[C@H]1C ZINC001486182814 1090779106 /nfs/dbraw/zinc/77/91/06/1090779106.db2.gz ZPVLYVNBHHOKFA-DOTOQJQBSA-N 0 3 322.493 3.127 20 30 DGEDHN O=C1C=C2CN(Cc3cccc(Br)c3)CCC2S1 ZINC001203767271 1090800366 /nfs/dbraw/zinc/80/03/66/1090800366.db2.gz RGXVUTDRFKGRRX-CYBMUJFWSA-N 0 3 324.243 3.223 20 30 DGEDHN Cc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC001203736399 1090792970 /nfs/dbraw/zinc/79/29/70/1090792970.db2.gz OUGKFPMWWICAGG-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN CC(C)(C)OC(=O)C[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001203763880 1090799299 /nfs/dbraw/zinc/79/92/99/1090799299.db2.gz QOFMVTQAAYUBJF-MRXNPFEDSA-N 0 3 300.402 3.112 20 30 DGEDHN CCCc1noc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC001203764571 1090800220 /nfs/dbraw/zinc/80/02/20/1090800220.db2.gz UXRYHPTYBYOCLN-MRXNPFEDSA-N 0 3 310.401 3.273 20 30 DGEDHN COC(=O)[C@H]1CCN(Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001203765034 1090800939 /nfs/dbraw/zinc/80/09/39/1090800939.db2.gz TZKGZLPLBZAJPH-OALUTQOASA-N 0 3 320.392 3.294 20 30 DGEDHN O=C1C=C2CN(Cc3cccc(Br)c3)CCC2S1 ZINC001203767276 1090801101 /nfs/dbraw/zinc/80/11/01/1090801101.db2.gz RGXVUTDRFKGRRX-ZDUSSCGKSA-N 0 3 324.243 3.223 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cccc(F)c1)C2 ZINC001203784941 1090802606 /nfs/dbraw/zinc/80/26/06/1090802606.db2.gz GECPSRFKVPVNIN-LJQANCHMSA-N 0 3 316.420 3.359 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001276421100 1090807667 /nfs/dbraw/zinc/80/76/67/1090807667.db2.gz GTWQPOKSLRUBDY-RDTXWAMCSA-N 0 3 320.502 3.329 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1sc(CCC)nc1C)C(C)C ZINC001486379763 1090815175 /nfs/dbraw/zinc/81/51/75/1090815175.db2.gz PECRSHHHHJGIBU-UHFFFAOYSA-N 0 3 323.506 3.372 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCC=C(Cl)Cl)C(C)(C)C ZINC001486388807 1090821237 /nfs/dbraw/zinc/82/12/37/1090821237.db2.gz DLIULBXQUPYAHW-LLVKDONJSA-N 0 3 307.265 3.392 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C ZINC001486388808 1090821266 /nfs/dbraw/zinc/82/12/66/1090821266.db2.gz DLIULBXQUPYAHW-NSHDSACASA-N 0 3 307.265 3.392 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCC(C)C)CC[C@H]1C(F)(F)F ZINC001486452921 1090842780 /nfs/dbraw/zinc/84/27/80/1090842780.db2.gz RJWNXJGRCQAIDO-ZIAGYGMSSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H](CN(C)CCF)C2)CCCCC1 ZINC001494161931 1090861295 /nfs/dbraw/zinc/86/12/95/1090861295.db2.gz GXAXULYVSLMNCX-MRXNPFEDSA-N 0 3 310.457 3.263 20 30 DGEDHN C=CCOC(=O)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC001204034900 1090877481 /nfs/dbraw/zinc/87/74/81/1090877481.db2.gz WFRHOGKTVWVHSW-QGZVFWFLSA-N 0 3 320.458 3.359 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001128252263 1090924801 /nfs/dbraw/zinc/92/48/01/1090924801.db2.gz GTWIZNNHCVYXST-LBPRGKRZSA-N 0 3 310.388 3.334 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](CC(=O)OCC)C2)cc1 ZINC001204297628 1090943159 /nfs/dbraw/zinc/94/31/59/1090943159.db2.gz LRWYOSNUTKGSQM-KRWDZBQOSA-N 0 3 317.429 3.417 20 30 DGEDHN C=CCOc1ccc(CN(CCOCC)CCOCC)cc1 ZINC001204303454 1090944498 /nfs/dbraw/zinc/94/44/98/1090944498.db2.gz IPRVAVHYIPPSQX-UHFFFAOYSA-N 0 3 307.434 3.126 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C)c(C)c2)C1=O ZINC001272987396 1090966375 /nfs/dbraw/zinc/96/63/75/1090966375.db2.gz ARDVAFRZDZARNY-FQEVSTJZSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001273000843 1090980384 /nfs/dbraw/zinc/98/03/84/1090980384.db2.gz ZFEYSYGGWJPEEE-OAHLLOKOSA-N 0 3 310.850 3.012 20 30 DGEDHN Cc1cc(C)cc(CN2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001204524647 1090991584 /nfs/dbraw/zinc/99/15/84/1090991584.db2.gz NXFSZVJYXWATEN-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2c1ccn2C ZINC001273075585 1091027429 /nfs/dbraw/zinc/02/74/29/1091027429.db2.gz FMTOXASNKIOUFX-ZDUSSCGKSA-N 0 3 319.836 3.029 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc(F)c(C)c1)CC2 ZINC001205172639 1091118927 /nfs/dbraw/zinc/11/89/27/1091118927.db2.gz VBEWBPRAONDARQ-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(F)c(C)c1)C2 ZINC001205187188 1091123987 /nfs/dbraw/zinc/12/39/87/1091123987.db2.gz QVHYNGNAQVMWCA-IEBWSBKVSA-N 0 3 319.420 3.460 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108149351 1091153821 /nfs/dbraw/zinc/15/38/21/1091153821.db2.gz UWAFHOWBRABGQV-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(CNCc2nccs2)CC1 ZINC001205395291 1091210869 /nfs/dbraw/zinc/21/08/69/1091210869.db2.gz VFBBMDMRTOHGDL-UHFFFAOYSA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@H](Oc3ccncc3)C2)cc1 ZINC001138560853 1091229655 /nfs/dbraw/zinc/22/96/55/1091229655.db2.gz RJQMPFUWFFADTI-FQEVSTJZSA-N 0 3 322.408 3.137 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001205479261 1091231950 /nfs/dbraw/zinc/23/19/50/1091231950.db2.gz XMEZRKLLMFOHIQ-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1[O-] ZINC001138630754 1091262992 /nfs/dbraw/zinc/26/29/92/1091262992.db2.gz COXCWLJQIGJMHR-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1[O-] ZINC001138630754 1091263002 /nfs/dbraw/zinc/26/30/02/1091263002.db2.gz COXCWLJQIGJMHR-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCCCC(=O)NC[C@]1(C)CN(CC2CCCCC2)CCO1 ZINC001108171319 1091269109 /nfs/dbraw/zinc/26/91/09/1091269109.db2.gz FMJHHGLTIIIFQO-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)cc(C)cc1C ZINC001273167972 1091313174 /nfs/dbraw/zinc/31/31/74/1091313174.db2.gz NKJIWRXRSGUCNO-OAHLLOKOSA-N 0 3 308.853 3.462 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC001273182070 1091345663 /nfs/dbraw/zinc/34/56/63/1091345663.db2.gz QTCLBAOAOZFQPI-QGZVFWFLSA-N 0 3 323.440 3.072 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2ccccc2[nH]1 ZINC001273182212 1091346874 /nfs/dbraw/zinc/34/68/74/1091346874.db2.gz WOYALMBNZJJWBD-RTBURBONSA-N 0 3 323.440 3.309 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108188587 1091374394 /nfs/dbraw/zinc/37/43/94/1091374394.db2.gz VVXGORAPWIPWAW-OALUTQOASA-N 0 3 324.509 3.232 20 30 DGEDHN CCc1cccc(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001202879920 1091386528 /nfs/dbraw/zinc/38/65/28/1091386528.db2.gz LLCGCRBMTQZGHQ-AWEZNQCLSA-N 0 3 302.399 3.055 20 30 DGEDHN CCCCCCCC[C@H](O)CCC(=O)N1CCNC(C)(C)C1 ZINC001294492933 1091403076 /nfs/dbraw/zinc/40/30/76/1091403076.db2.gz QNAZVSKQCNVPSO-INIZCTEOSA-N 0 3 312.498 3.089 20 30 DGEDHN CCCOc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001138996696 1091411202 /nfs/dbraw/zinc/41/12/02/1091411202.db2.gz NMEZFEUHQKJHMO-INIZCTEOSA-N 0 3 303.427 3.250 20 30 DGEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1OC(C)=O ZINC001139004849 1091415410 /nfs/dbraw/zinc/41/54/10/1091415410.db2.gz DCPQBKULYLQLRO-UHFFFAOYSA-N 0 3 316.401 3.136 20 30 DGEDHN C=CCOc1ccccc1CN1CCC2(C[C@@H](F)CO2)CC1 ZINC001139030439 1091425474 /nfs/dbraw/zinc/42/54/74/1091425474.db2.gz NCMFETWBOAMONL-MRXNPFEDSA-N 0 3 305.393 3.344 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)[C@@H]2C1 ZINC001084355980 1091480007 /nfs/dbraw/zinc/48/00/07/1091480007.db2.gz SPXHVJRDAVGGRT-YYIAUSFCSA-N 0 3 304.478 3.168 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(CC[C@@H](C)F)C[C@H]21 ZINC001084372161 1091484644 /nfs/dbraw/zinc/48/46/44/1091484644.db2.gz IZKFYHOXXMGWFE-MRVWCRGKSA-N 0 3 316.848 3.046 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(CCC)s3)[C@@H]2C1 ZINC001084376768 1091484893 /nfs/dbraw/zinc/48/48/93/1091484893.db2.gz IZDQYRSIKQKBPQ-GDBMZVCRSA-N 0 3 318.486 3.423 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc3cccnc32)no1 ZINC001206100742 1091492126 /nfs/dbraw/zinc/49/21/26/1091492126.db2.gz SQUMXYCKRGQAEA-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C(C)=O)cc2F)no1 ZINC001206101142 1091492747 /nfs/dbraw/zinc/49/27/47/1091492747.db2.gz ZVOFWFVSZXQFDZ-UHFFFAOYSA-N 0 3 315.348 3.187 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C)c(F)cc2F)no1 ZINC001206101001 1091492815 /nfs/dbraw/zinc/49/28/15/1091492815.db2.gz YVYSZXTXTCZACL-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(Cc4cccc(C)c4)C[C@H]32)C1 ZINC001084645209 1091525214 /nfs/dbraw/zinc/52/52/14/1091525214.db2.gz JEBPGWGPAJODCK-RTBURBONSA-N 0 3 324.468 3.384 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C ZINC001098910039 1091538039 /nfs/dbraw/zinc/53/80/39/1091538039.db2.gz IFRUSACBLQYRSU-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)C3CCCCC3)[C@@H]2C1 ZINC001084717216 1091547381 /nfs/dbraw/zinc/54/73/81/1091547381.db2.gz OMKQWXSKXLDDEN-BHIYHBOVSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3F)[C@@H]2C1 ZINC001084727765 1091548990 /nfs/dbraw/zinc/54/89/90/1091548990.db2.gz BYWANKMMKYSXKL-HDMKZQKVSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)s3)[C@@H]2C1 ZINC001084818552 1091582657 /nfs/dbraw/zinc/58/26/57/1091582657.db2.gz IIUUUFDIALOKBV-HZPDHXFCSA-N 0 3 318.486 3.477 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3sccc3CC)[C@@H]2C1 ZINC001084849004 1091591346 /nfs/dbraw/zinc/59/13/46/1091591346.db2.gz JKQKHWDVHNOZMT-HZPDHXFCSA-N 0 3 318.486 3.423 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001202960442 1091643073 /nfs/dbraw/zinc/64/30/73/1091643073.db2.gz NNZYOSSUURWWES-KBPBESRZSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001206490239 1091647032 /nfs/dbraw/zinc/64/70/32/1091647032.db2.gz IWLBMAVFGWCCIG-DNVCBOLYSA-N 0 3 312.457 3.078 20 30 DGEDHN N#Cc1cccc2c(CN(CCO)Cc3cccs3)c[nH]c21 ZINC001139705535 1091648127 /nfs/dbraw/zinc/64/81/27/1091648127.db2.gz UMMQGAFWTCLSFI-UHFFFAOYSA-N 0 3 311.410 3.096 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc(C)c3F)CC2)C1=O ZINC001273257265 1091652162 /nfs/dbraw/zinc/65/21/62/1091652162.db2.gz QEHBZXAKDZEINI-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN COC(=O)c1cccc2[nH]cc(CN3CCC[C@@H](CC#N)C3)c21 ZINC001139721423 1091652455 /nfs/dbraw/zinc/65/24/55/1091652455.db2.gz HHYSEPQECQFTNU-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc1C#N ZINC001139729384 1091656743 /nfs/dbraw/zinc/65/67/43/1091656743.db2.gz ZFXJWEZAGBWMQF-RBUKOAKNSA-N 0 3 315.436 3.265 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001206537052 1091662154 /nfs/dbraw/zinc/66/21/54/1091662154.db2.gz INRSBMKSKQPZQU-DNVCBOLYSA-N 0 3 312.457 3.467 20 30 DGEDHN CN(Cc1cccc(C#N)c1)Cc1cc(=O)n(C)c2ccccc12 ZINC001139762246 1091665750 /nfs/dbraw/zinc/66/57/50/1091665750.db2.gz YUJVECVXFNWBMR-UHFFFAOYSA-N 0 3 317.392 3.042 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3C)C[C@@H]21 ZINC001085099355 1091670252 /nfs/dbraw/zinc/67/02/52/1091670252.db2.gz OMTYAKUBSJETLL-LMMKCTJWSA-N 0 3 312.457 3.207 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3CC(C(C)(C)C)C3)C[C@@H]21 ZINC001085104430 1091671955 /nfs/dbraw/zinc/67/19/55/1091671955.db2.gz HDZZGNBFCNTLKH-CPFNUKBASA-N 0 3 316.489 3.005 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1F ZINC001085120914 1091681540 /nfs/dbraw/zinc/68/15/40/1091681540.db2.gz GJMQIPRLONKAAA-HUUCEWRRSA-N 0 3 310.800 3.209 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C/C=C\c1ccc(F)cc1 ZINC001139870083 1091697579 /nfs/dbraw/zinc/69/75/79/1091697579.db2.gz YGQVZVKDQVKBKB-SREVYHEPSA-N 0 3 304.409 3.195 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(o1)c(F)ccc2C ZINC001139874224 1091698284 /nfs/dbraw/zinc/69/82/84/1091698284.db2.gz QXFSRCYLGWOJCX-UHFFFAOYSA-N 0 3 318.392 3.460 20 30 DGEDHN N#Cc1cc(F)cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001139879751 1091699874 /nfs/dbraw/zinc/69/98/74/1091699874.db2.gz QVKBVQTZEUQEBH-ZWKOTPCHSA-N 0 3 319.399 3.096 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001085243327 1091723448 /nfs/dbraw/zinc/72/34/48/1091723448.db2.gz FDSFBFQFQGUGGB-RBSFLKMASA-N 0 3 310.869 3.336 20 30 DGEDHN O=C1C=C2CN(Cc3cc(-c4ccccc4)on3)CCC2S1 ZINC001206844114 1091765118 /nfs/dbraw/zinc/76/51/18/1091765118.db2.gz UOHOQZWBBGZEDR-INIZCTEOSA-N 0 3 312.394 3.116 20 30 DGEDHN Cc1nc([C@@H]2CCCN(Cc3c[nH]c4ccc(C#N)cc34)C2)no1 ZINC001140111159 1091771226 /nfs/dbraw/zinc/77/12/26/1091771226.db2.gz ZICGVIOOTGWRPF-CQSZACIVSA-N 0 3 321.384 3.111 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CCC(c4ncccn4)CC3)c2c1 ZINC001140114912 1091772775 /nfs/dbraw/zinc/77/27/75/1091772775.db2.gz FUIZNSQLOVWMFC-UHFFFAOYSA-N 0 3 317.396 3.209 20 30 DGEDHN Cn1cc(CN2CCC3(CC(OCC4CC4)C3)CC2)cc1C#N ZINC001207106598 1091846568 /nfs/dbraw/zinc/84/65/68/1091846568.db2.gz PJGHPMPVFSYRMX-UHFFFAOYSA-N 0 3 313.445 3.068 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)noc1CCC ZINC001085593294 1091847275 /nfs/dbraw/zinc/84/72/75/1091847275.db2.gz GKFWZHHFYFTBSJ-HNNXBMFYSA-N 0 3 319.449 3.048 20 30 DGEDHN C[C@H]1OC2(CCN(Cc3cc(C#N)n(C)c3)CC2)c2ccccc21 ZINC001207108932 1091847282 /nfs/dbraw/zinc/84/72/82/1091847282.db2.gz PXXPBFPOQZVTSV-OAHLLOKOSA-N 0 3 321.424 3.479 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001207138824 1091858894 /nfs/dbraw/zinc/85/88/94/1091858894.db2.gz VNTBICJZGZPPJA-RCCFBDPRSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(OCCC)c1 ZINC001085630617 1091862880 /nfs/dbraw/zinc/86/28/80/1091862880.db2.gz ZMGALUJTCHZUOI-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2c(o1)CCCC2 ZINC001085636987 1091864937 /nfs/dbraw/zinc/86/49/37/1091864937.db2.gz FKAFNPXHFZCMTM-INIZCTEOSA-N 0 3 316.445 3.271 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2cc(C)sc2C)C1=O ZINC001273352918 1091871920 /nfs/dbraw/zinc/87/19/20/1091871920.db2.gz QAKNXKFQBZJOCJ-QGZVFWFLSA-N 0 3 304.459 3.118 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(OCCC)c1 ZINC001297379966 1091872174 /nfs/dbraw/zinc/87/21/74/1091872174.db2.gz RVZNBRMQJSCQAE-UHFFFAOYSA-N 0 3 304.434 3.055 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(C)C[C@H]1CCN1CCCC ZINC001085678592 1091879635 /nfs/dbraw/zinc/87/96/35/1091879635.db2.gz NMBCDXOQEJURHA-MRXNPFEDSA-N 0 3 316.445 3.198 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207221505 1091890671 /nfs/dbraw/zinc/89/06/71/1091890671.db2.gz GUFYFFCRKVFGSZ-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN COc1cccc([C@H]2CCCN(Cc3ccc(C#N)nc3)C2)c1 ZINC001140546600 1091904121 /nfs/dbraw/zinc/90/41/21/1091904121.db2.gz NHXJWVDNAGMHDU-KRWDZBQOSA-N 0 3 307.397 3.341 20 30 DGEDHN CC1=CC[C@@H](CCN2CCN(c3cc(C#N)ccn3)CC2)C1(C)C ZINC001207281272 1091908657 /nfs/dbraw/zinc/90/86/57/1091908657.db2.gz YQNNBAQCMSCNRF-SFHVURJKSA-N 0 3 324.472 3.458 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(O)c(C)c1)C2 ZINC001140575750 1091916299 /nfs/dbraw/zinc/91/62/99/1091916299.db2.gz XAYKMMHGPWMQKS-MJGOQNOKSA-N 0 3 317.429 3.027 20 30 DGEDHN Cc1ccc(F)cc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001140592768 1091925049 /nfs/dbraw/zinc/92/50/49/1091925049.db2.gz BLMJNSVMKBASQE-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085777837 1091932730 /nfs/dbraw/zinc/93/27/30/1091932730.db2.gz DCSBUUSHXCYMLX-OAHLLOKOSA-N 0 3 303.450 3.080 20 30 DGEDHN CCCCCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207354058 1091935937 /nfs/dbraw/zinc/93/59/37/1091935937.db2.gz ZNDDNWXXXBHRND-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC ZINC001085789583 1091936590 /nfs/dbraw/zinc/93/65/90/1091936590.db2.gz LWLVOBJABUVTIN-QGZVFWFLSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1Cl ZINC001085800320 1091944969 /nfs/dbraw/zinc/94/49/69/1091944969.db2.gz QNLPATYAWIBMDT-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN(Cc1ccc(N2CCOCC2)cc1F)C(C)(C)C ZINC001140667175 1091951638 /nfs/dbraw/zinc/95/16/38/1091951638.db2.gz JYCWIJBGNVMNLD-UHFFFAOYSA-N 0 3 306.425 3.449 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001085862058 1091986236 /nfs/dbraw/zinc/98/62/36/1091986236.db2.gz OJSMJHPYXFODAK-KOHRHEQBSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001207500727 1091992528 /nfs/dbraw/zinc/99/25/28/1091992528.db2.gz VTICGZPJHQXIAK-IEBWSBKVSA-N 0 3 319.420 3.194 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2cccnc2c1 ZINC001085880492 1091996136 /nfs/dbraw/zinc/99/61/36/1091996136.db2.gz FKTLQMQPHUHHEI-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C(F)F)c1 ZINC001085936594 1092023861 /nfs/dbraw/zinc/02/38/61/1092023861.db2.gz IJYWLKNUIFXVCM-HNNXBMFYSA-N 0 3 308.372 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940727 1092030241 /nfs/dbraw/zinc/03/02/41/1092030241.db2.gz NUMRVMNMHDJAQT-MRXNPFEDSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccsc1C(F)F ZINC001085949655 1092043083 /nfs/dbraw/zinc/04/30/83/1092043083.db2.gz LLLMGRCVGAPVAB-NSHDSACASA-N 0 3 314.401 3.408 20 30 DGEDHN C=CCOCc1ncn2c1CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207619991 1092045392 /nfs/dbraw/zinc/04/53/92/1092045392.db2.gz FZROZEUUXIGUIN-BBWFWOEESA-N 0 3 313.445 3.004 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ccc(F)cc12 ZINC001086002252 1092092699 /nfs/dbraw/zinc/09/26/99/1092092699.db2.gz DFRNAOWGVGCFLB-AWEZNQCLSA-N 0 3 315.392 3.029 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001086159307 1092145434 /nfs/dbraw/zinc/14/54/34/1092145434.db2.gz PESFSKXIWVLXOI-XQQFMLRXSA-N 0 3 320.811 3.049 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001491596666 1092186798 /nfs/dbraw/zinc/18/67/98/1092186798.db2.gz GGJWOGUGDLOJPU-AEFFLSMTSA-N 0 3 306.494 3.347 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC001491596667 1092186906 /nfs/dbraw/zinc/18/69/06/1092186906.db2.gz GGJWOGUGDLOJPU-FUHWJXTLSA-N 0 3 306.494 3.347 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001086276147 1092187649 /nfs/dbraw/zinc/18/76/49/1092187649.db2.gz FIBCBVQAIIIHFO-XFHMXUHZSA-N 0 3 318.848 3.415 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001086373861 1092227467 /nfs/dbraw/zinc/22/74/67/1092227467.db2.gz RNDOYIKNIQYJCQ-NNUKFRKNSA-N 0 3 318.804 3.283 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001086400860 1092235438 /nfs/dbraw/zinc/23/54/38/1092235438.db2.gz ABQJAMBAFNJLMF-CYUUQNCZSA-N 0 3 324.877 3.089 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC3CC2(C(=O)N2CCCC2)C3)CC1 ZINC001208175084 1092240579 /nfs/dbraw/zinc/24/05/79/1092240579.db2.gz MWKWFKZSBXHVGT-QPIRBTGLSA-N 0 3 314.473 3.376 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001086423849 1092245297 /nfs/dbraw/zinc/24/52/97/1092245297.db2.gz VZORDJIROWCDIS-FPCVCCKLSA-N 0 3 324.896 3.462 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)C1 ZINC001086438019 1092253250 /nfs/dbraw/zinc/25/32/50/1092253250.db2.gz ZFJHTFWURDBWOI-QSPRXWTASA-N 0 3 324.896 3.440 20 30 DGEDHN CCCCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001491910785 1092292427 /nfs/dbraw/zinc/29/24/27/1092292427.db2.gz RHQQFBPBFZQZFF-GOSISDBHSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCC(C)(C)C)C1 ZINC001108288004 1092304756 /nfs/dbraw/zinc/30/47/56/1092304756.db2.gz AJUADEJGRCUVOR-VQIMIIECSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(CC)cc2)C[C@H]1C ZINC001208315180 1092310063 /nfs/dbraw/zinc/31/00/63/1092310063.db2.gz NOZQMPMDBXFHSY-CRAIPNDOSA-N 0 3 314.473 3.398 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001491959624 1092326248 /nfs/dbraw/zinc/32/62/48/1092326248.db2.gz NSELIJHGXISHHI-MSOLQXFVSA-N 0 3 322.468 3.241 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1C ZINC001208452460 1092357582 /nfs/dbraw/zinc/35/75/82/1092357582.db2.gz MFXMGIHMZYZMKU-FDRWKTFPSA-N 0 3 312.457 3.493 20 30 DGEDHN CSc1nc(CN(C)CCc2cccs2)ccc1C#N ZINC001141938410 1092364914 /nfs/dbraw/zinc/36/49/14/1092364914.db2.gz BRCIETFLDMMSFH-UHFFFAOYSA-N 0 3 303.456 3.411 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCCc2ccccc2)C1 ZINC001208474318 1092368701 /nfs/dbraw/zinc/36/87/01/1092368701.db2.gz DELZYNGYZFDZCR-SJLPKXTDSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)s2)C[C@H]1O ZINC001141972589 1092371685 /nfs/dbraw/zinc/37/16/85/1092371685.db2.gz MSLMJAWZQOGBKN-DNVCBOLYSA-N 0 3 311.450 3.351 20 30 DGEDHN OC[C@@H]1CCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972930 1092372033 /nfs/dbraw/zinc/37/20/33/1092372033.db2.gz VXCZGOLWJIPJMY-QGZVFWFLSA-N 0 3 311.450 3.352 20 30 DGEDHN CC[C@@H](C)CCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001168961408 1092464572 /nfs/dbraw/zinc/46/45/72/1092464572.db2.gz JTWDLKFAXGZSCQ-CQSZACIVSA-N 0 3 319.424 3.120 20 30 DGEDHN C#CCCN(C)CCNC(=O)c1ccccc1C(C)(C)CC ZINC001492297944 1092480778 /nfs/dbraw/zinc/48/07/78/1092480778.db2.gz ZAWGOXTYLVHJEX-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001169070849 1092522321 /nfs/dbraw/zinc/52/23/21/1092522321.db2.gz ULGONPJIGLIMNY-SJORKVTESA-N 0 3 306.450 3.154 20 30 DGEDHN CC[C@H](C)[C@H]([NH2+][C@H](Cc1ccccc1)CC(C)C)C(=O)N[O-] ZINC001169070247 1092522677 /nfs/dbraw/zinc/52/26/77/1092522677.db2.gz PERYBFJZMHJCGH-XIRDDKMYSA-N 0 3 306.450 3.154 20 30 DGEDHN CC1(C(=O)N2CCC[C@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001208817904 1092524899 /nfs/dbraw/zinc/52/48/99/1092524899.db2.gz UPEACACYEZRQRQ-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN N#Cc1ccc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1 ZINC001142911748 1092584003 /nfs/dbraw/zinc/58/40/03/1092584003.db2.gz HZTQAMOBFJRJNS-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001169184976 1092589882 /nfs/dbraw/zinc/58/98/82/1092589882.db2.gz LKEHMDOBWDGQRP-SHTZXODSSA-N 0 3 300.874 3.297 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208961795 1092611358 /nfs/dbraw/zinc/61/13/58/1092611358.db2.gz KKWOXAOSUMFDFP-LLVKDONJSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCN(CCN(CC)Cc1ccc(OC)cc1)C(=O)OCC ZINC001209020300 1092626529 /nfs/dbraw/zinc/62/65/29/1092626529.db2.gz GCKJPAIUPIHNJD-UHFFFAOYSA-N 0 3 320.433 3.162 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc3c(C)nccc23)CC1 ZINC001209089416 1092647747 /nfs/dbraw/zinc/64/77/47/1092647747.db2.gz OXMJSIWBQYROIZ-UHFFFAOYSA-N 0 3 324.428 3.315 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001209116813 1092658556 /nfs/dbraw/zinc/65/85/56/1092658556.db2.gz WXCZBBFVJYFUTC-BHIYHBOVSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001209146049 1092670698 /nfs/dbraw/zinc/67/06/98/1092670698.db2.gz KEYHRAAKYCYGBP-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001209146859 1092672693 /nfs/dbraw/zinc/67/26/93/1092672693.db2.gz RJUCJHJAQVNTSY-IAGOWNOFSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCc2cccs2)C(C)(C)C1 ZINC001276622706 1092686021 /nfs/dbraw/zinc/68/60/21/1092686021.db2.gz BBIANIOMHJPQIG-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209192863 1092689613 /nfs/dbraw/zinc/68/96/13/1092689613.db2.gz CREPXQRWQPAFMW-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C1 ZINC001209266480 1092720217 /nfs/dbraw/zinc/72/02/17/1092720217.db2.gz QYKBRENJKZMMLZ-INIZCTEOSA-N 0 3 308.466 3.367 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC001209302055 1092731238 /nfs/dbraw/zinc/73/12/38/1092731238.db2.gz YXEIPTYXUGDQIE-LJQANCHMSA-N 0 3 322.408 3.480 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001209335969 1092738187 /nfs/dbraw/zinc/73/81/87/1092738187.db2.gz UHABLLDHIAXENM-AWEZNQCLSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CCCCCCN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001209423891 1092770578 /nfs/dbraw/zinc/77/05/78/1092770578.db2.gz GCTVOCWGGKJNDD-UHFFFAOYSA-N 0 3 316.493 3.431 20 30 DGEDHN C=CCCCCCCN1CCN(CCc2ccncc2)CC1 ZINC001209436489 1092774369 /nfs/dbraw/zinc/77/43/69/1092774369.db2.gz RXSPVEVBQOWQNP-UHFFFAOYSA-N 0 3 301.478 3.378 20 30 DGEDHN C=CCCCCCCCN1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001209441129 1092774501 /nfs/dbraw/zinc/77/45/01/1092774501.db2.gz HXRYWJMAFYRFGW-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN CC(C)C1(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001209534698 1092814025 /nfs/dbraw/zinc/81/40/25/1092814025.db2.gz CVMFMIDLXUWQRC-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)CC2CCCCC2)CC1 ZINC001150948642 1092844632 /nfs/dbraw/zinc/84/46/32/1092844632.db2.gz JJRIWPZAABPDAD-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](CC)CCCC)CC1 ZINC001150965027 1092847674 /nfs/dbraw/zinc/84/76/74/1092847674.db2.gz PTBRBDVCIJAEQM-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)CCCCCC)CC1 ZINC001151408388 1092895564 /nfs/dbraw/zinc/89/55/64/1092895564.db2.gz HTCGSIXNMRPLOI-UHFFFAOYSA-N 0 3 310.482 3.130 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001209867707 1092956644 /nfs/dbraw/zinc/95/66/44/1092956644.db2.gz ZYEJWQZPACZDOS-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001209874720 1092960967 /nfs/dbraw/zinc/96/09/67/1092960967.db2.gz KTGGRWDOJXCHSZ-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN CC1(CCC(=O)N2CCC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001210465329 1093178281 /nfs/dbraw/zinc/17/82/81/1093178281.db2.gz UEMNYFCRQYJOGR-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001210816609 1093289661 /nfs/dbraw/zinc/28/96/61/1093289661.db2.gz ZCYWPIGZLOGJFL-KBAYOESNSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001211183711 1093408866 /nfs/dbraw/zinc/40/88/66/1093408866.db2.gz FZGZVYHFEFXACA-HDMKZQKVSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC=C)C[C@H]1C ZINC001211218420 1093424946 /nfs/dbraw/zinc/42/49/46/1093424946.db2.gz VJFXLKHGPKXREG-BHIYHBOVSA-N 0 3 312.457 3.044 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)CCC2CCCCCC2)[C@H](OC)C1 ZINC001213183415 1093537700 /nfs/dbraw/zinc/53/77/00/1093537700.db2.gz SLTZJIDBKMOBQE-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213320229 1093565981 /nfs/dbraw/zinc/56/59/81/1093565981.db2.gz PVRNUXQTYBUYCT-APKOXFAHSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213389686 1093578197 /nfs/dbraw/zinc/57/81/97/1093578197.db2.gz DZWUWLZIYGAUBS-LDZGNZEFSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)[C@H](OC)C1 ZINC001213725746 1093649693 /nfs/dbraw/zinc/64/96/93/1093649693.db2.gz GIBITKSGEAUGEP-BRWVUGGUSA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001214513938 1093789296 /nfs/dbraw/zinc/78/92/96/1093789296.db2.gz GMMDCKXANFIFEO-IIDMSEBBSA-N 0 3 316.420 3.127 20 30 DGEDHN C[C@H](NCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400696596 1093909840 /nfs/dbraw/zinc/90/98/40/1093909840.db2.gz JHAIAIQFVOBOGK-ZDUSSCGKSA-N 0 3 309.454 3.161 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCC(C)(C)C#N)C[C@H]2C1 ZINC000400982187 1093930874 /nfs/dbraw/zinc/93/08/74/1093930874.db2.gz WCECEHIGQYVPAE-SOUVJXGZSA-N 0 3 321.465 3.161 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215701252 1094034693 /nfs/dbraw/zinc/03/46/93/1094034693.db2.gz QDJWBBARKWKIPX-IEBWSBKVSA-N 0 3 324.468 3.077 20 30 DGEDHN CN(C)c1ccc(N=C(NO)c2ccccc2N)cc1Cl ZINC001216062458 1094115513 /nfs/dbraw/zinc/11/55/13/1094115513.db2.gz QCWHRFZMOXBSIQ-UHFFFAOYSA-N 0 3 304.781 3.045 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)cc3F)n2)cc1 ZINC001216851460 1094270253 /nfs/dbraw/zinc/27/02/53/1094270253.db2.gz UKIJYPRQBUDIJE-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN C=CCC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCCF)C1)c1ccccc1 ZINC001217110580 1094307350 /nfs/dbraw/zinc/30/73/50/1094307350.db2.gz IIWQXYWFMKCGOR-KBAYOESNSA-N 0 3 318.436 3.142 20 30 DGEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)cc1)[C@@H](C)C(C)(C)C ZINC001135178658 1094430482 /nfs/dbraw/zinc/43/04/82/1094430482.db2.gz ZBDRUDVLYJMGFW-HUUCEWRRSA-N 0 3 315.461 3.082 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135181784 1094432287 /nfs/dbraw/zinc/43/22/87/1094432287.db2.gz VFRTYVHDMALXOR-OLZOCXBDSA-N 0 3 321.465 3.267 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001135236282 1094454758 /nfs/dbraw/zinc/45/47/58/1094454758.db2.gz RKEYDJSFQDLRCH-CHWSQXEVSA-N 0 3 321.465 3.131 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OCc1ccc(Sc2ccccc2)cc1 ZINC001217831906 1094502454 /nfs/dbraw/zinc/50/24/54/1094502454.db2.gz LOHRWBPTPBRBGO-MAUKXSAKSA-N 0 3 310.422 3.466 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OC(Cl)(Cl)c1ccc(Cl)cc1 ZINC001217834229 1094502715 /nfs/dbraw/zinc/50/27/15/1094502715.db2.gz VVOBKXHMHOTKFF-KCJUWKMLSA-N 0 3 305.592 3.056 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2ocnc2C)CC1 ZINC001135384111 1094509387 /nfs/dbraw/zinc/50/93/87/1094509387.db2.gz ZHMIFNUFEPTKNI-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NCc2ocnc2C)CC1 ZINC001135416982 1094528203 /nfs/dbraw/zinc/52/82/03/1094528203.db2.gz YPIBVLGUIOVKSD-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@@H](C)NCc2ocnc2C)CC1 ZINC001135416984 1094528310 /nfs/dbraw/zinc/52/83/10/1094528310.db2.gz YPIBVLGUIOVKSD-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@H](C)NCc2nccs2)CC1 ZINC001135416095 1094528373 /nfs/dbraw/zinc/52/83/73/1094528373.db2.gz QBEVMDJSBSXBOE-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCC[C@@H](C)CCC)[C@H]2C1 ZINC001218003709 1094553010 /nfs/dbraw/zinc/55/30/10/1094553010.db2.gz DBEVUAIOOMHHHG-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCCCCc1[nH]c2ccccc2c(=O)c1OC1CNC1 ZINC001218049430 1094577171 /nfs/dbraw/zinc/57/71/71/1094577171.db2.gz IMVPUTLBRNZNKJ-UHFFFAOYSA-N 0 3 314.429 3.392 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1conc1CC ZINC001135560928 1094577517 /nfs/dbraw/zinc/57/75/17/1094577517.db2.gz NHCDEHQBRDJXNJ-ZIAGYGMSSA-N 0 3 321.465 3.212 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103346417 1094593159 /nfs/dbraw/zinc/59/31/59/1094593159.db2.gz LJGJMBXRXCLGJY-VNQPRFMTSA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C[C@H](C)CC(C)C ZINC001170828583 1094595882 /nfs/dbraw/zinc/59/58/82/1094595882.db2.gz DNEMCARSVWURQT-GFCCVEGCSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C(C)C)CC2)C1 ZINC001103416883 1094620205 /nfs/dbraw/zinc/62/02/05/1094620205.db2.gz DDUKURBTTYPTJZ-UKRRQHHQSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)c2ccco2)C1 ZINC001103429007 1094625336 /nfs/dbraw/zinc/62/53/36/1094625336.db2.gz AHEOFOADWNTUET-BPLDGKMQSA-N 0 3 324.852 3.210 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001135719215 1094648474 /nfs/dbraw/zinc/64/84/74/1094648474.db2.gz YWJMYTJXYRZMGV-HXUWFJFHSA-N 0 3 318.420 3.235 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCC2(C)CC2)C1 ZINC001103600789 1094682755 /nfs/dbraw/zinc/68/27/55/1094682755.db2.gz DAOOCJDOVVEBJP-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001086788840 1094686596 /nfs/dbraw/zinc/68/65/96/1094686596.db2.gz HMEFCQPZFALXDP-GOEBONIOSA-N 0 3 320.864 3.490 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001135843473 1094708469 /nfs/dbraw/zinc/70/84/69/1094708469.db2.gz SGZSNXZPZVQONM-MRXNPFEDSA-N 0 3 307.463 3.042 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C)cc2)C1 ZINC001103671023 1094717003 /nfs/dbraw/zinc/71/70/03/1094717003.db2.gz ZRQQWMGOGBHNNW-RHSMWYFYSA-N 0 3 320.864 3.435 20 30 DGEDHN C=C[C@H](CCCCCCC)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218334537 1094724261 /nfs/dbraw/zinc/72/42/61/1094724261.db2.gz BYSBCVJCHWOEEJ-AEFFLSMTSA-N 0 3 318.461 3.336 20 30 DGEDHN C=CCCCC(=O)NC1CC2(CC(NCc3nccs3)C2)C1 ZINC001121663537 1094739383 /nfs/dbraw/zinc/73/93/83/1094739383.db2.gz NIOKWZANVKPSNE-UHFFFAOYSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1(CCC)CC1)C2 ZINC001121734420 1094758659 /nfs/dbraw/zinc/75/86/59/1094758659.db2.gz UTCRGRFTZCDCDP-UHFFFAOYSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1C ZINC001103872297 1094782429 /nfs/dbraw/zinc/78/24/29/1094782429.db2.gz ZVODRPMRWIRORB-IAQYHMDHSA-N 0 3 324.852 3.337 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@H](C)c1cccc(OC)c1 ZINC001121848151 1094794543 /nfs/dbraw/zinc/79/45/43/1094794543.db2.gz HRHCLZMNFJMRQK-PBHICJAKSA-N 0 3 304.434 3.288 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC001121900163 1094819987 /nfs/dbraw/zinc/81/99/87/1094819987.db2.gz DATMOVRIIMNFPG-QWHCGFSZSA-N 0 3 317.458 3.499 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ncnc2sc(C)cc21 ZINC001218501829 1094824283 /nfs/dbraw/zinc/82/42/83/1094824283.db2.gz OUORQSRWXARFII-ZDUSSCGKSA-N 0 3 318.446 3.402 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2CN(CCCCCC)C[C@@H]21 ZINC001218522609 1094827934 /nfs/dbraw/zinc/82/79/34/1094827934.db2.gz CLSISBUUGAPKPE-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 ZINC001121965996 1094848431 /nfs/dbraw/zinc/84/84/31/1094848431.db2.gz OOZPLZKPCQGXAC-GOEBONIOSA-N 0 3 312.417 3.115 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC001121988541 1094859676 /nfs/dbraw/zinc/85/96/76/1094859676.db2.gz LRBVBHXCEHYTHK-HNNXBMFYSA-N 0 3 323.387 3.187 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC001122070877 1094890667 /nfs/dbraw/zinc/89/06/67/1094890667.db2.gz GIJOMBHEYNGKIH-AEFFLSMTSA-N 0 3 310.482 3.093 20 30 DGEDHN C=CCCC[C@H](NC(=O)[C@H](N)CCSC)c1ccccc1 ZINC001122216345 1094927096 /nfs/dbraw/zinc/92/70/96/1094927096.db2.gz DSNXBCBYCHTWCM-CVEARBPZSA-N 0 3 306.475 3.281 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC001122218739 1094927369 /nfs/dbraw/zinc/92/73/69/1094927369.db2.gz WAXWUSWNEBGWND-IRXDYDNUSA-N 0 3 318.486 3.377 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(F)c(C#N)cc1C ZINC001219112796 1094942023 /nfs/dbraw/zinc/94/20/23/1094942023.db2.gz WAPJCVZEIODJFI-HNNXBMFYSA-N 0 3 303.381 3.408 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001170939266 1094967187 /nfs/dbraw/zinc/96/71/87/1094967187.db2.gz CLQXEXFZGDDEEE-UHFFFAOYSA-N 0 3 317.820 3.144 20 30 DGEDHN C#CCCCCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000692933214 1094975946 /nfs/dbraw/zinc/97/59/46/1094975946.db2.gz DYEPRIYYUNWUTF-SFHVURJKSA-N 0 3 312.457 3.161 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCC=CCCC1 ZINC001122448053 1094978591 /nfs/dbraw/zinc/97/85/91/1094978591.db2.gz JKQJGLSIROSDTD-IAGOWNOFSA-N 0 3 310.397 3.148 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001111878961 1094994577 /nfs/dbraw/zinc/99/45/77/1094994577.db2.gz TUUBXVHKYSKPDT-HBFSDRIKSA-N 0 3 316.489 3.363 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001122517626 1094996440 /nfs/dbraw/zinc/99/64/40/1094996440.db2.gz GGRCXPLDRBPTGL-YESZJQIVSA-N 0 3 307.397 3.255 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](CCOC)c2ccccc21 ZINC001122601378 1095016012 /nfs/dbraw/zinc/01/60/12/1095016012.db2.gz CGVGMCUFTAIUKP-DZGCQCFKSA-N 0 3 322.836 3.013 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112152176 1095036207 /nfs/dbraw/zinc/03/62/07/1095036207.db2.gz MBPHKYQASQFDNE-BFHYXJOUSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CC)CC(C)C)C[C@H]1C(F)(F)F ZINC001112189901 1095039356 /nfs/dbraw/zinc/03/93/56/1095039356.db2.gz BJZOJUPCBNYFNG-MGPQQGTHSA-N 0 3 320.399 3.224 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220132574 1095058361 /nfs/dbraw/zinc/05/83/61/1095058361.db2.gz NRRLWVRXLUBLLI-KURKYZTESA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCN1CCC(Nc2cc(Cl)c3cccnc3n2)CC1 ZINC001337769650 1095089860 /nfs/dbraw/zinc/08/98/60/1095089860.db2.gz XWJHJBIJJKBMQQ-UHFFFAOYSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCCC1CCC(OC)CC1 ZINC001220754151 1095148294 /nfs/dbraw/zinc/14/82/94/1095148294.db2.gz AQIIWLDBVYCJAO-JCYILVPMSA-N 0 3 310.482 3.162 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCc1c(C)cc(C)cc1O ZINC001220825586 1095159904 /nfs/dbraw/zinc/15/99/04/1095159904.db2.gz NLJDKQFRCIOYEW-INIZCTEOSA-N 0 3 304.434 3.089 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001220841286 1095162827 /nfs/dbraw/zinc/16/28/27/1095162827.db2.gz RQDJOTCPHRXHQO-MSOLQXFVSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)CCCCCCCC)[C@@H](O)C1 ZINC001221030939 1095188586 /nfs/dbraw/zinc/18/85/86/1095188586.db2.gz SPOLKBVOOMHQRW-KSZLIROESA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221122381 1095203757 /nfs/dbraw/zinc/20/37/57/1095203757.db2.gz QOJMWTZZILWOSP-AOIWGVFYSA-N 0 3 324.509 3.111 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cccc(C)n2)CCCCC1 ZINC001115411970 1095210870 /nfs/dbraw/zinc/21/08/70/1095210870.db2.gz GOJRGLHPVZEDNQ-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ncccc2C)CCCCC1 ZINC001115471756 1095237948 /nfs/dbraw/zinc/23/79/48/1095237948.db2.gz USFSUFMAPBQKMV-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(N(C)C)c1 ZINC001221314331 1095241667 /nfs/dbraw/zinc/24/16/67/1095241667.db2.gz SCZOGQLTWDVASF-YJBOKZPZSA-N 0 3 317.477 3.394 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccccc3CC)C[C@H]21 ZINC001221424982 1095262085 /nfs/dbraw/zinc/26/20/85/1095262085.db2.gz TWVROGNGYXULBF-RTBURBONSA-N 0 3 312.457 3.248 20 30 DGEDHN CC1(C(=O)NCC2(NCC#Cc3ccccc3)CCCCC2)CC1 ZINC001115548789 1095273354 /nfs/dbraw/zinc/27/33/54/1095273354.db2.gz SBVFTYDMILVZFJ-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC[C@@H]3CN(C(=O)C#CC(C)C)[C@@H]3C2)c1 ZINC001221535062 1095296048 /nfs/dbraw/zinc/29/60/48/1095296048.db2.gz KYQXHGAJFXNLHY-MISYRCLQSA-N 0 3 324.468 3.248 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@@H](F)C2)CCCCC1 ZINC001115694100 1095335946 /nfs/dbraw/zinc/33/59/46/1095335946.db2.gz NZOTXCJCXXQBDK-UONOGXRCSA-N 0 3 316.848 3.286 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2conc2C)CCCCC1 ZINC001115701321 1095341185 /nfs/dbraw/zinc/34/11/85/1095341185.db2.gz ISDCJGYQEWYUOO-UHFFFAOYSA-N 0 3 319.449 3.248 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC001338653295 1095352034 /nfs/dbraw/zinc/35/20/34/1095352034.db2.gz JLJAHBJGQGTDDE-IRXDYDNUSA-N 0 3 319.493 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001338653297 1095353078 /nfs/dbraw/zinc/35/30/78/1095353078.db2.gz JLJAHBJGQGTDDE-SJORKVTESA-N 0 3 319.493 3.249 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001221850478 1095376243 /nfs/dbraw/zinc/37/62/43/1095376243.db2.gz OMPXOGNTJFQSMI-MISYRCLQSA-N 0 3 324.468 3.126 20 30 DGEDHN CN(C(=O)CN1CC[C@@H]2CCCC[C@H]2C1)C1(C#N)CCCCC1 ZINC001115816811 1095401578 /nfs/dbraw/zinc/40/15/78/1095401578.db2.gz FKTBQFJONYVTDA-IRXDYDNUSA-N 0 3 317.477 3.183 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@H]2CCN([C@H](C)COC)C[C@H]21 ZINC001221975063 1095403318 /nfs/dbraw/zinc/40/33/18/1095403318.db2.gz QTVQWAGHARBFRE-KZNAEPCWSA-N 0 3 324.509 3.305 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](CCC)CC(C)C)[C@@H]2C1 ZINC001222062754 1095419433 /nfs/dbraw/zinc/41/94/33/1095419433.db2.gz LDENOSPIENJLIM-KZNAEPCWSA-N 0 3 304.478 3.005 20 30 DGEDHN N#Cc1ccc([O-])c(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168178 1095476263 /nfs/dbraw/zinc/47/62/63/1095476263.db2.gz WQDJOTQCYDYHQO-IBGZPJMESA-N 0 3 313.445 3.010 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN(Cc3cncc(C#N)c3)C2)c1 ZINC001144084793 1095505530 /nfs/dbraw/zinc/50/55/30/1095505530.db2.gz MUUCKKHYDDICCH-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN N#Cc1ccc(CC2CCN(Cc3ccc(O)cn3)CC2)cc1 ZINC001144258705 1095575637 /nfs/dbraw/zinc/57/56/37/1095575637.db2.gz CBJWKDCRCXEGNT-UHFFFAOYSA-N 0 3 307.397 3.114 20 30 DGEDHN CC(C)(C)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC001116637976 1095621799 /nfs/dbraw/zinc/62/17/99/1095621799.db2.gz HYRWJOPBOQXOFC-UHFFFAOYSA-N 0 3 311.351 3.498 20 30 DGEDHN C=CCCC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001222573704 1095672231 /nfs/dbraw/zinc/67/22/31/1095672231.db2.gz KIISTUCXJJMSKV-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN CC(C)COc1cc(CN[C@H](C)Cc2cccc(C#N)c2)ncn1 ZINC001171198298 1095708732 /nfs/dbraw/zinc/70/87/32/1095708732.db2.gz JQSVOBQWHZSJLY-OAHLLOKOSA-N 0 3 324.428 3.104 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H]1CCc2ccccc2C1=O ZINC001171201738 1095737905 /nfs/dbraw/zinc/73/79/05/1095737905.db2.gz QMJGXQSEFIZBJG-AUUYWEPGSA-N 0 3 304.393 3.277 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2CCN(C[C@@H](F)CC)[C@H]2C1 ZINC001222776266 1095749730 /nfs/dbraw/zinc/74/97/30/1095749730.db2.gz QLAXTVGTUXIXIC-PMPSAXMXSA-N 0 3 310.457 3.260 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCc1c[nH]c2c1cccc2CC ZINC001339921849 1095781238 /nfs/dbraw/zinc/78/12/38/1095781238.db2.gz ALRMPPWHQICUEV-QGZVFWFLSA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCCCCCCCCC(=O)N1CCOC[C@H]1CN(C)C ZINC001144797738 1095823377 /nfs/dbraw/zinc/82/33/77/1095823377.db2.gz KXZDXXBHDDXYEM-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)ccc2C)C1 ZINC001091343624 1095908214 /nfs/dbraw/zinc/90/82/14/1095908214.db2.gz JWFWCHYQHMDIHI-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(N4CCCCC4)o3)CCC2S1 ZINC001138173196 1095913457 /nfs/dbraw/zinc/91/34/57/1095913457.db2.gz IALKHJFUDYBQOO-OAHLLOKOSA-N 0 3 318.442 3.044 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@H]2CCN(C[C@@H](F)CC)[C@H]2C1 ZINC001223272014 1095919531 /nfs/dbraw/zinc/91/95/31/1095919531.db2.gz SHWRWMMNXQOSME-SQNIBIBYSA-N 0 3 322.468 3.241 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@H]2CCN(C[C@H](F)CC)[C@H]2C1 ZINC001223272013 1095919677 /nfs/dbraw/zinc/91/96/77/1095919677.db2.gz SHWRWMMNXQOSME-KURKYZTESA-N 0 3 322.468 3.241 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001223304758 1095931258 /nfs/dbraw/zinc/93/12/58/1095931258.db2.gz RLYOFFGBWKIPLX-QGZVFWFLSA-N 0 3 310.457 3.331 20 30 DGEDHN C=C[C@H](O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)N2C)c1ccccc1 ZINC001223309989 1095931655 /nfs/dbraw/zinc/93/16/55/1095931655.db2.gz BVZVYMDTDKKWIA-OYSTVDSJSA-N 0 3 315.413 3.097 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001276884217 1095951305 /nfs/dbraw/zinc/95/13/05/1095951305.db2.gz QEIIRIMVADMSFS-ZIAGYGMSSA-N 0 3 306.475 3.469 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 ZINC001340548810 1095974788 /nfs/dbraw/zinc/97/47/88/1095974788.db2.gz INARIJBUEMRWHN-GXTWGEPZSA-N 0 3 318.417 3.031 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC001340665362 1096002557 /nfs/dbraw/zinc/00/25/57/1096002557.db2.gz MCLXGOVXJGDGAC-CYBMUJFWSA-N 0 3 312.360 3.261 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H](C)CCCCC)C[C@]2(C)C1 ZINC001276906029 1096018254 /nfs/dbraw/zinc/01/82/54/1096018254.db2.gz INPPNMQHOQCWCG-RLLQIKCJSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OC(F)F ZINC001340736008 1096019272 /nfs/dbraw/zinc/01/92/72/1096019272.db2.gz OLXWIPAFHHIYHF-JTQLQIEISA-N 0 3 302.296 3.049 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](F)CC1CCCCC1 ZINC001171278724 1096062062 /nfs/dbraw/zinc/06/20/62/1096062062.db2.gz KDJJDAAYHACTKY-AWEZNQCLSA-N 0 3 304.837 3.143 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(N2CCCC2)c1 ZINC001340951370 1096078899 /nfs/dbraw/zinc/07/88/99/1096078899.db2.gz CPNUKMPJSCRBDH-INIZCTEOSA-N 0 3 301.434 3.217 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC001341002674 1096092196 /nfs/dbraw/zinc/09/21/96/1096092196.db2.gz DDFDQKQZZUIKIQ-MSOLQXFVSA-N 0 3 324.509 3.339 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CNCC2 ZINC001341336675 1096156930 /nfs/dbraw/zinc/15/69/30/1096156930.db2.gz HTMNPQJXPNPTGX-JSGCOSHPSA-N 0 3 304.459 3.259 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CCCCCC)CC1 ZINC001224920683 1096314168 /nfs/dbraw/zinc/31/41/68/1096314168.db2.gz FRARSBCYEXVQHP-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCCCc3ccccc3)C2)C1 ZINC001148206356 1096325361 /nfs/dbraw/zinc/32/53/61/1096325361.db2.gz XSXWJWOCPJWXHN-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccccc2C2CC2)CC1 ZINC001277043561 1096429156 /nfs/dbraw/zinc/42/91/56/1096429156.db2.gz PRXAJTPJKGWMRZ-UHFFFAOYSA-N 0 3 310.441 3.106 20 30 DGEDHN C#CCN(C(=O)NCC1(C)CCCCCC1)C1CCN(C)CC1 ZINC001225428980 1096429311 /nfs/dbraw/zinc/42/93/11/1096429311.db2.gz AMDAONNAWQMNCM-UHFFFAOYSA-N 0 3 319.493 3.086 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2cccc(C(F)F)c2)CC1 ZINC001277047876 1096443737 /nfs/dbraw/zinc/44/37/37/1096443737.db2.gz HGGQKOQYBMBEEF-UHFFFAOYSA-N 0 3 320.383 3.022 20 30 DGEDHN Cc1cc(C#N)c(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1C ZINC001225530269 1096458916 /nfs/dbraw/zinc/45/89/16/1096458916.db2.gz HARORRHPMFELKC-KXBFYZLASA-N 0 3 321.424 3.469 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001273446050 1096481695 /nfs/dbraw/zinc/48/16/95/1096481695.db2.gz PLUPAPQWHGEWBG-MSOLQXFVSA-N 0 3 304.478 3.363 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001086941209 1096515624 /nfs/dbraw/zinc/51/56/24/1096515624.db2.gz MPZGZXXJLLIXNM-DLBZAZTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3C=CCCC3)C2)CC1 ZINC001086928973 1096519972 /nfs/dbraw/zinc/51/99/72/1096519972.db2.gz TVXFDHBVPDXTOS-MSOLQXFVSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C)cc3C)C2)CC1 ZINC001086955545 1096523088 /nfs/dbraw/zinc/52/30/88/1096523088.db2.gz QJJRGSLVVUYLAY-GOSISDBHSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CC3(C)CCCCC3)C[C@]2(C)C1 ZINC001091841435 1096542552 /nfs/dbraw/zinc/54/25/52/1096542552.db2.gz KUEQFAJTWYNYBF-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCC3CCCCCC3)C[C@]2(C)C1 ZINC001091861997 1096544044 /nfs/dbraw/zinc/54/40/44/1096544044.db2.gz XEOTYNWGAVLWQG-QUCCMNQESA-N 0 3 316.489 3.151 20 30 DGEDHN Cc1ccc(C#N)c(O[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001225860970 1096547326 /nfs/dbraw/zinc/54/73/26/1096547326.db2.gz TZWQPWGQTMZGNB-SFHVURJKSA-N 0 3 307.397 3.305 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CC3CCCC3)C[C@]2(C)C1 ZINC001092067049 1096572008 /nfs/dbraw/zinc/57/20/08/1096572008.db2.gz FRTNDAVZSFWBAB-GGPKGHCWSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001092326576 1096603938 /nfs/dbraw/zinc/60/39/38/1096603938.db2.gz NKHSMRAFRJRJPR-QKLQHJQFSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001093353610 1096679871 /nfs/dbraw/zinc/67/98/71/1096679871.db2.gz BBUYHGKWXWWWLG-GOSISDBHSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C(CC)CC)CC1 ZINC001093357050 1096680616 /nfs/dbraw/zinc/68/06/16/1096680616.db2.gz ZVIWIOIPLWBFIX-GOSISDBHSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001226519490 1096711246 /nfs/dbraw/zinc/71/12/46/1096711246.db2.gz YNBVHWJYGXHKFA-CQSZACIVSA-N 0 3 304.409 3.434 20 30 DGEDHN N#Cc1cccc(O)c1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001226517872 1096711337 /nfs/dbraw/zinc/71/13/37/1096711337.db2.gz KSPWVIXXALZVNG-QGZVFWFLSA-N 0 3 308.381 3.307 20 30 DGEDHN Cc1cc(C#N)cc(C)c1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001226528708 1096714214 /nfs/dbraw/zinc/71/42/14/1096714214.db2.gz ZXPBXFBZRBEJDZ-HDICACEKSA-N 0 3 314.429 3.197 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2cccc(OC)c2C)CC1 ZINC001226534334 1096716869 /nfs/dbraw/zinc/71/68/69/1096716869.db2.gz HDSHLWBRSMBQHI-UHFFFAOYSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCCCCCN1CC2(C[C@@H]2C(=O)N2CCCC23CC3)C1 ZINC001277152782 1096765892 /nfs/dbraw/zinc/76/58/92/1096765892.db2.gz VJTFWQRNGSVFBB-MRXNPFEDSA-N 0 3 302.462 3.210 20 30 DGEDHN Cc1cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)cc(C)c1C#N ZINC001226830776 1096789955 /nfs/dbraw/zinc/78/99/55/1096789955.db2.gz CBTQTXGMIUMMRB-QAQDUYKDSA-N 0 3 314.429 3.197 20 30 DGEDHN Cc1ccc(C#N)cc1O[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001226876979 1096802326 /nfs/dbraw/zinc/80/23/26/1096802326.db2.gz HETFDCUNBGTJEV-DOTOQJQBSA-N 0 3 307.397 3.476 20 30 DGEDHN N#Cc1ccccc1CN1CC[C@@H](Oc2ccc3nc[nH]c3c2)C1 ZINC001226927720 1096819363 /nfs/dbraw/zinc/81/93/63/1096819363.db2.gz ABKDQGHYRRAKFD-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCCCCCCCN1CC2(C1)SCC[C@@H]2C(=O)N(C)C ZINC001277167510 1096820874 /nfs/dbraw/zinc/82/08/74/1096820874.db2.gz YWSOKHMIYZSXKR-MRXNPFEDSA-N 0 3 324.534 3.409 20 30 DGEDHN C=CCCCCCCCN1CC2(C[C@@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277167481 1096821997 /nfs/dbraw/zinc/82/19/97/1096821997.db2.gz XTLNACNECWXWOS-MRXNPFEDSA-N 0 3 316.449 3.197 20 30 DGEDHN Cc1ccc(C#N)c(NC(=O)C23CC(NCc4ccoc4)(C2)C3)c1 ZINC001277176636 1096849697 /nfs/dbraw/zinc/84/96/97/1096849697.db2.gz WUXUJBXFFQMAGW-UHFFFAOYSA-N 0 3 321.380 3.111 20 30 DGEDHN C#CCCCC(=O)NC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001227108630 1096870833 /nfs/dbraw/zinc/87/08/33/1096870833.db2.gz UDHKHCUVGLMHET-OAHLLOKOSA-N 0 3 316.420 3.271 20 30 DGEDHN Cc1nc(O[C@H]2CCN(C(C)C)C2)c(C#N)cc1-c1ccncc1 ZINC001227268265 1096909401 /nfs/dbraw/zinc/90/94/01/1096909401.db2.gz WBTKONLFORYLPG-KRWDZBQOSA-N 0 3 322.412 3.185 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2occc2[nH]1 ZINC001277201237 1096918680 /nfs/dbraw/zinc/91/86/80/1096918680.db2.gz QJDAQORSBWLYSC-NSHDSACASA-N 0 3 309.797 3.002 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN(Cc2sc(C)nc2C)CC1 ZINC001227588536 1096956098 /nfs/dbraw/zinc/95/60/98/1096956098.db2.gz PISYMUGSIPDGOP-UHFFFAOYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc2ccccc21 ZINC001171822883 1096975122 /nfs/dbraw/zinc/97/51/22/1096975122.db2.gz RKXADUZWXDZVPA-UHFFFAOYSA-N 0 3 316.832 3.231 20 30 DGEDHN Cc1nc(OC2CCN(C3CC3)CC2)c(C#N)c(C)c1Cl ZINC001227828058 1096996666 /nfs/dbraw/zinc/99/66/66/1096996666.db2.gz LRJKQKIHAGELBB-UHFFFAOYSA-N 0 3 305.809 3.229 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001227926113 1097014153 /nfs/dbraw/zinc/01/41/53/1097014153.db2.gz WZYFOVFBNMWTAA-HUUCEWRRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001227926074 1097014479 /nfs/dbraw/zinc/01/44/79/1097014479.db2.gz VUXNUSFCBGYCFK-HUUCEWRRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001227940525 1097016942 /nfs/dbraw/zinc/01/69/42/1097016942.db2.gz JFWCWWCUSKSWSV-HZPDHXFCSA-N 0 3 319.449 3.021 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001277285849 1097080969 /nfs/dbraw/zinc/08/09/69/1097080969.db2.gz RCGLMXQEKYAAOE-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(Br)no1 ZINC001172295133 1097107833 /nfs/dbraw/zinc/10/78/33/1097107833.db2.gz POOOKZZYRMANHX-JTQLQIEISA-N 0 3 320.190 3.030 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001228413711 1097116573 /nfs/dbraw/zinc/11/65/73/1097116573.db2.gz QAKHIBNLDLKBDO-NUJGCVRESA-N 0 3 319.449 3.102 20 30 DGEDHN CC[C@H](C)OCC[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001172337967 1097117471 /nfs/dbraw/zinc/11/74/71/1097117471.db2.gz LMPZBNWNZLXMRB-IRXDYDNUSA-N 0 3 315.461 3.274 20 30 DGEDHN CC[C@@H](C)OCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001172337965 1097117709 /nfs/dbraw/zinc/11/77/09/1097117709.db2.gz LMPZBNWNZLXMRB-IAGOWNOFSA-N 0 3 315.461 3.274 20 30 DGEDHN C[C@H](CCCC#N)NCc1cn(Cc2cccc(F)c2)cn1 ZINC001172490840 1097166975 /nfs/dbraw/zinc/16/69/75/1097166975.db2.gz AYGAYXYNXAGFDZ-CQSZACIVSA-N 0 3 300.381 3.242 20 30 DGEDHN CCOc1ccccc1N1CCN([C@H](C)CCCC#N)CC1 ZINC001172491028 1097167948 /nfs/dbraw/zinc/16/79/48/1097167948.db2.gz BTHICPQFEONSAU-MRXNPFEDSA-N 0 3 301.434 3.290 20 30 DGEDHN CN1CC[C@H](Oc2cc(OCc3ccccc3)ccc2C#N)C1 ZINC001228719497 1097176490 /nfs/dbraw/zinc/17/64/90/1097176490.db2.gz RSSJQLBNFZBMEB-SFHVURJKSA-N 0 3 308.381 3.220 20 30 DGEDHN N#Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001228926747 1097219333 /nfs/dbraw/zinc/21/93/33/1097219333.db2.gz PZXUOPQNGFEJQS-KRWDZBQOSA-N 0 3 323.352 3.120 20 30 DGEDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)N1CCC(C)(C#N)CC1 ZINC001172976157 1097295536 /nfs/dbraw/zinc/29/55/36/1097295536.db2.gz YMIRIWQFSYDZSV-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001277382802 1097310844 /nfs/dbraw/zinc/31/08/44/1097310844.db2.gz RXAGLLNIMWEBSE-LRDDRELGSA-N 0 3 310.869 3.098 20 30 DGEDHN C[C@@H]1CC[C@H](N2CCC[C@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001173063267 1097315977 /nfs/dbraw/zinc/31/59/77/1097315977.db2.gz AIIKGLAHKDQKMA-OAGGEKHMSA-N 0 3 321.465 3.400 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229582432 1097348692 /nfs/dbraw/zinc/34/86/92/1097348692.db2.gz ALQDQNMEIBGFRA-HZPDHXFCSA-N 0 3 324.509 3.088 20 30 DGEDHN N#CCC1CCC(NCc2ncc(Br)s2)CC1 ZINC001173333686 1097419727 /nfs/dbraw/zinc/41/97/27/1097419727.db2.gz POQMZSCFFSCCLH-UHFFFAOYSA-N 0 3 314.252 3.468 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001277436527 1097423620 /nfs/dbraw/zinc/42/36/20/1097423620.db2.gz OPEPZOZMCJTPQB-RYQLBKOJSA-N 0 3 304.478 3.454 20 30 DGEDHN CCN1CCC[C@H](Oc2cccc(Br)c2C#N)C1 ZINC001230323525 1097475938 /nfs/dbraw/zinc/47/59/38/1097475938.db2.gz QJLTZWNXPBSCDN-NSHDSACASA-N 0 3 309.207 3.184 20 30 DGEDHN C=CCC1(C(=O)NC2CCN(CCOCC)CC2)CCCCC1 ZINC001230331853 1097477744 /nfs/dbraw/zinc/47/77/44/1097477744.db2.gz GXMJAGDPFUZIOM-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN CC(=O)Oc1ccc(C2CCC(N3CC[C@H](C#N)C3)CC2)cc1 ZINC001173789911 1097514057 /nfs/dbraw/zinc/51/40/57/1097514057.db2.gz WHZJPNYSTBXVPQ-KLHKWILBSA-N 0 3 312.413 3.484 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001277465326 1097575587 /nfs/dbraw/zinc/57/55/87/1097575587.db2.gz OIIDAFDICPJSIO-RTBURBONSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCCOCC ZINC001230860567 1097608319 /nfs/dbraw/zinc/60/83/19/1097608319.db2.gz NXARPHIGIFFGCI-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001231094446 1097666762 /nfs/dbraw/zinc/66/67/62/1097666762.db2.gz GRNZYTBQYCSXNV-SJORKVTESA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCCC(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001277495383 1097693867 /nfs/dbraw/zinc/69/38/67/1097693867.db2.gz BIPKQSSDVICBGB-MRXNPFEDSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231410348 1097742304 /nfs/dbraw/zinc/74/23/04/1097742304.db2.gz GERPJZAYDYYVLY-WNRNVDISSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C[C@@H](C)C(C)(C)C ZINC001174571978 1097764054 /nfs/dbraw/zinc/76/40/54/1097764054.db2.gz SZUMLUBYHSPBEB-LLVKDONJSA-N 0 3 319.287 3.063 20 30 DGEDHN COCCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC001231504461 1097766691 /nfs/dbraw/zinc/76/66/91/1097766691.db2.gz HCQOAVWSTYIGAR-MRXNPFEDSA-N 0 3 302.418 3.228 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001174588520 1097769847 /nfs/dbraw/zinc/76/98/47/1097769847.db2.gz ZRTJZISUNAVMFC-OAHLLOKOSA-N 0 3 320.864 3.030 20 30 DGEDHN C=CCOc1cccc(CN(C)CCc2noc(C(C)C)n2)c1 ZINC001231621061 1097793705 /nfs/dbraw/zinc/79/37/05/1097793705.db2.gz NNLOTXKVBMUKQN-UHFFFAOYSA-N 0 3 315.417 3.432 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001174672481 1097795749 /nfs/dbraw/zinc/79/57/49/1097795749.db2.gz OHFVZTLJVYVEJY-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCOc1cccc(CN2CCC(c3ncccn3)CC2)c1 ZINC001231625560 1097796070 /nfs/dbraw/zinc/79/60/70/1097796070.db2.gz UJFSXGBRVUVUKG-UHFFFAOYSA-N 0 3 309.413 3.421 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001174849170 1097867450 /nfs/dbraw/zinc/86/74/50/1097867450.db2.gz KGIURFPOMAIZRH-HUUCEWRRSA-N 0 3 321.465 3.350 20 30 DGEDHN N#Cc1cc(CN2CC3(CCN3C3CCCC3)C2)ccc1Cl ZINC001277630665 1097968299 /nfs/dbraw/zinc/96/82/99/1097968299.db2.gz QHANPIMTMHWXRM-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@H](C)C1CCCCC1 ZINC001175229409 1097981090 /nfs/dbraw/zinc/98/10/90/1097981090.db2.gz NZFIXNVKNAYRCA-HOTGVXAUSA-N 0 3 307.482 3.143 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](CNCc1ccns1)C1CC1 ZINC001277692421 1098103668 /nfs/dbraw/zinc/10/36/68/1098103668.db2.gz BTVQKXYWXCACJX-WBVHZDCISA-N 0 3 321.490 3.072 20 30 DGEDHN Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(C#N)c1 ZINC001232969508 1098188542 /nfs/dbraw/zinc/18/85/42/1098188542.db2.gz RAFBQGSIASRJCR-WOJBJXKFSA-N 0 3 317.436 3.435 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2ccncc2)CC1 ZINC001233080734 1098220555 /nfs/dbraw/zinc/22/05/55/1098220555.db2.gz VKEGQKCFEZEIKM-UHFFFAOYSA-N 0 3 307.397 3.305 20 30 DGEDHN Cc1cc(OC2CCN(Cc3ccc(C#N)cc3C)CC2)ncn1 ZINC001233083583 1098224117 /nfs/dbraw/zinc/22/41/17/1098224117.db2.gz QQSHQTVKMKSFLC-UHFFFAOYSA-N 0 3 322.412 3.009 20 30 DGEDHN CN(C)c1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1C#N ZINC001233098774 1098226265 /nfs/dbraw/zinc/22/62/65/1098226265.db2.gz NKJNURFHLNRKEK-KBPBESRZSA-N 0 3 301.409 3.385 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C)c(O)c1)C2 ZINC001233232495 1098257979 /nfs/dbraw/zinc/25/79/79/1098257979.db2.gz HCVSUKQJBAJZDB-IEBWSBKVSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCOC1 ZINC001233580950 1098382150 /nfs/dbraw/zinc/38/21/50/1098382150.db2.gz OSNPSARVNHZNHR-ROUUACIJSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1csnc1C ZINC001233706824 1098414068 /nfs/dbraw/zinc/41/40/68/1098414068.db2.gz OTVDCGSWPMPJIF-HNNXBMFYSA-N 0 3 321.490 3.344 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cccnc1 ZINC001233717274 1098414952 /nfs/dbraw/zinc/41/49/52/1098414952.db2.gz YYFHMMQAHOHCCT-GOSISDBHSA-N 0 3 317.477 3.127 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233730257 1098417899 /nfs/dbraw/zinc/41/78/99/1098417899.db2.gz IRULCOLWUCWIDZ-JKSUJKDBSA-N 0 3 312.523 3.407 20 30 DGEDHN CC1(C#N)CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233760819 1098425664 /nfs/dbraw/zinc/42/56/64/1098425664.db2.gz KTQBWLBYHNJJEP-UHFFFAOYSA-N 0 3 314.307 3.416 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001233800852 1098433226 /nfs/dbraw/zinc/43/32/26/1098433226.db2.gz KTARSNQHSRKMGF-MRXNPFEDSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001233866282 1098445305 /nfs/dbraw/zinc/44/53/05/1098445305.db2.gz ONTLPGNYZBXROC-KRWDZBQOSA-N 0 3 317.477 3.226 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1CC ZINC001233966791 1098468251 /nfs/dbraw/zinc/46/82/51/1098468251.db2.gz QABQZGFXXZDEIB-IBGZPJMESA-N 0 3 312.457 3.085 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001234029298 1098479976 /nfs/dbraw/zinc/47/99/76/1098479976.db2.gz HCNOQDSLWUHUDR-MRXNPFEDSA-N 0 3 317.477 3.470 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Cc1ccccc1C ZINC001177170190 1098480104 /nfs/dbraw/zinc/48/01/04/1098480104.db2.gz XEJFVVUIEJSQPD-AWEZNQCLSA-N 0 3 308.853 3.022 20 30 DGEDHN COc1cc(CN2CCC[C@@H](C#N)CC2)ccc1-n1ccnc1 ZINC001234068217 1098489376 /nfs/dbraw/zinc/48/93/76/1098489376.db2.gz YWHJRTHXNHNLRG-OAHLLOKOSA-N 0 3 310.401 3.007 20 30 DGEDHN CN(C[C@H]1CCN1CC/C=C/c1ccccc1)C(=O)C#CC1CC1 ZINC001234177375 1098510079 /nfs/dbraw/zinc/51/00/79/1098510079.db2.gz AZXIZDDCKJKDJE-MVHVFESUSA-N 0 3 322.452 3.036 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCCCCC ZINC001234276855 1098527214 /nfs/dbraw/zinc/52/72/14/1098527214.db2.gz UQAINHYRPDNKJA-SJORKVTESA-N 0 3 310.482 3.081 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CNCc1cc2ccccc2o1 ZINC001277844347 1098528835 /nfs/dbraw/zinc/52/88/35/1098528835.db2.gz CMTKCELGDBMHAH-QGZVFWFLSA-N 0 3 324.424 3.173 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001234313580 1098535101 /nfs/dbraw/zinc/53/51/01/1098535101.db2.gz DWWIYPASFSQQFS-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001234391613 1098546586 /nfs/dbraw/zinc/54/65/86/1098546586.db2.gz AUHVSPIYJBEGBU-KURKYZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001234445706 1098555871 /nfs/dbraw/zinc/55/58/71/1098555871.db2.gz MCQYJYSEFQJMSP-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001277858831 1098561236 /nfs/dbraw/zinc/56/12/36/1098561236.db2.gz QJKFIBDPFCLOIK-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC1CC(F)(F)C1 ZINC001234555529 1098598875 /nfs/dbraw/zinc/59/88/75/1098598875.db2.gz VVSRRNSLNQXALQ-CQSZACIVSA-N 0 3 314.420 3.167 20 30 DGEDHN CC(C)(F)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001177747097 1098599593 /nfs/dbraw/zinc/59/95/93/1098599593.db2.gz ZWEFCYRCQWQDGS-UHFFFAOYSA-N 0 3 319.424 3.073 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1C[C@H](OC)C1CCCC1 ZINC001234614504 1098620109 /nfs/dbraw/zinc/62/01/09/1098620109.db2.gz SWAICMRTJAFJPK-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN Cn1nc(C(C)(C)C)cc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904795 1098643407 /nfs/dbraw/zinc/64/34/07/1098643407.db2.gz SMHIRFLMCYLHDN-NSHDSACASA-N 0 3 316.430 3.100 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccncc2)no1 ZINC001177903816 1098643472 /nfs/dbraw/zinc/64/34/72/1098643472.db2.gz LDIBPWNQEQDQLE-GFCCVEGCSA-N 0 3 324.365 3.119 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178151919 1098725156 /nfs/dbraw/zinc/72/51/56/1098725156.db2.gz QVLXUAIYQDHHOB-LPHOPBHVSA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001277921083 1098787610 /nfs/dbraw/zinc/78/76/10/1098787610.db2.gz DMYGYDAWPNBYEU-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178376098 1098797887 /nfs/dbraw/zinc/79/78/87/1098797887.db2.gz VWHGNMRASPUGPF-AOIWGVFYSA-N 0 3 312.457 3.053 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)[C@@H]1C ZINC001178636494 1098894450 /nfs/dbraw/zinc/89/44/50/1098894450.db2.gz FORLIKNFCMFXHF-VKJFTORMSA-N 0 3 316.420 3.125 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235229244 1098902341 /nfs/dbraw/zinc/90/23/41/1098902341.db2.gz ZGXUJQRGIOGQDI-UONOGXRCSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001178795410 1098933435 /nfs/dbraw/zinc/93/34/35/1098933435.db2.gz PZVPMMSCOGDVAK-HOTGVXAUSA-N 0 3 315.461 3.071 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC(C1CCC1)C1CCC1 ZINC001277937833 1098957817 /nfs/dbraw/zinc/95/78/17/1098957817.db2.gz JFDDOEMJESJTFP-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C[C@H](C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C)C1CCC1 ZINC001178973445 1098985787 /nfs/dbraw/zinc/98/57/87/1098985787.db2.gz MZQLZVWMZFRLQT-ZWOKBUDYSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001235375885 1098986692 /nfs/dbraw/zinc/98/66/92/1098986692.db2.gz LYZLXASZAUKDNL-LXXRFIIISA-N 0 3 315.461 3.177 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)C(=C)C)C12CCC2 ZINC001203259329 1099009180 /nfs/dbraw/zinc/00/91/80/1099009180.db2.gz WEKAHPSSHYGGIN-ZIAGYGMSSA-N 0 3 310.869 3.358 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C(=C)C)C12CCC2 ZINC001203259324 1099009995 /nfs/dbraw/zinc/00/99/95/1099009995.db2.gz WEKAHPSSHYGGIN-KBPBESRZSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCCC(=O)NCCCN(C)Cc1ccc(C(C)C)nc1C ZINC001235437229 1099035500 /nfs/dbraw/zinc/03/55/00/1099035500.db2.gz WRULNGZBYJABIW-UHFFFAOYSA-N 0 3 317.477 3.418 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179306031 1099057016 /nfs/dbraw/zinc/05/70/16/1099057016.db2.gz BQBYSBBYBHMFCX-GJZGRUSLSA-N 0 3 321.465 3.207 20 30 DGEDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccccc1CC#N ZINC001235511676 1099068760 /nfs/dbraw/zinc/06/87/60/1099068760.db2.gz LOPBXYNROGCFJI-UHFFFAOYSA-N 0 3 317.433 3.051 20 30 DGEDHN N#CCc1ccccc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001235511438 1099069656 /nfs/dbraw/zinc/06/96/56/1099069656.db2.gz HELSDTICDBFTIF-HNNXBMFYSA-N 0 3 312.335 3.032 20 30 DGEDHN C=CCCC(C)(C)CNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC001179324490 1099071090 /nfs/dbraw/zinc/07/10/90/1099071090.db2.gz CCNXLMVFOQLPPV-UHFFFAOYSA-N 0 3 321.465 3.457 20 30 DGEDHN CN1CCN(Cc2ccccc2CC#N)C[C@H]1c1ccccc1 ZINC001235523328 1099072174 /nfs/dbraw/zinc/07/21/74/1099072174.db2.gz QVGXQKIYEXGQSE-FQEVSTJZSA-N 0 3 305.425 3.241 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCCCCNCc1cc(C)no1 ZINC001179339813 1099077170 /nfs/dbraw/zinc/07/71/70/1099077170.db2.gz LZXAFLYHYJLWGB-MRXNPFEDSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)noc1C(C)C ZINC001235549514 1099084668 /nfs/dbraw/zinc/08/46/68/1099084668.db2.gz GFERBPCUGSYQGW-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001179384077 1099088814 /nfs/dbraw/zinc/08/88/14/1099088814.db2.gz BXRLNAWACCWCQD-INWMFGNUSA-N 0 3 321.490 3.133 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179388633 1099090389 /nfs/dbraw/zinc/09/03/89/1099090389.db2.gz MBOTXWFRZPQLBQ-AVGNSLFASA-N 0 3 319.276 3.487 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001235703269 1099138257 /nfs/dbraw/zinc/13/82/57/1099138257.db2.gz SXSOYTNGEOOSOV-CQSZACIVSA-N 0 3 309.479 3.260 20 30 DGEDHN CC#CC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001179754318 1099199756 /nfs/dbraw/zinc/19/97/56/1099199756.db2.gz AHTSYHPXXHSXCY-QGZVFWFLSA-N 0 3 304.393 3.226 20 30 DGEDHN Cc1nc(C#N)cc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236249637 1099500273 /nfs/dbraw/zinc/50/02/73/1099500273.db2.gz YPZXLGWOGGOACA-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN N#Cc1ccc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nn1 ZINC001236469709 1099629951 /nfs/dbraw/zinc/62/99/51/1099629951.db2.gz LTBLBFBJXGLGRC-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN N#Cc1cnnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001236471855 1099632145 /nfs/dbraw/zinc/63/21/45/1099632145.db2.gz HJIKREGPVBHRQP-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN CCCCCCCCS(=O)(=O)NC1CCN(CCC)CC1 ZINC001188020789 1099668350 /nfs/dbraw/zinc/66/83/50/1099668350.db2.gz GQTIQZCNNYQRNP-UHFFFAOYSA-N 0 3 318.527 3.141 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(SC)cc1 ZINC001188129162 1099691881 /nfs/dbraw/zinc/69/18/81/1099691881.db2.gz YMPJUWMXHNKAGH-AWEZNQCLSA-N 0 3 305.447 3.180 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc3ccoc32)C1 ZINC001236742967 1099767603 /nfs/dbraw/zinc/76/76/03/1099767603.db2.gz OALFZBIMPSVAMU-INIZCTEOSA-N 0 3 314.385 3.309 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CNCc2ncc(C)s2)CC1 ZINC001205407199 1099878381 /nfs/dbraw/zinc/87/83/81/1099878381.db2.gz ADZKEAWLRULYME-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN CCCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001188905388 1099897713 /nfs/dbraw/zinc/89/77/13/1099897713.db2.gz DOERYLQRTANKDD-GOSISDBHSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)CCc2c(F)cccc2F)C1 ZINC001189319400 1100022785 /nfs/dbraw/zinc/02/27/85/1100022785.db2.gz YSHHRCOUQQHXGB-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3(C=C)CCCCC3)[C@@H]2C1 ZINC001189406388 1100049223 /nfs/dbraw/zinc/04/92/23/1100049223.db2.gz OHTFRRKVOKMXDG-DLBZAZTESA-N 0 3 302.462 3.232 20 30 DGEDHN COC(=O)c1cc2cc(CN3CCC[C@@H](CC#N)C3)ccc2[nH]1 ZINC001237311320 1100073213 /nfs/dbraw/zinc/07/32/13/1100073213.db2.gz SQECLWSQBXWPDH-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001189743450 1100120537 /nfs/dbraw/zinc/12/05/37/1100120537.db2.gz DRDXAWNUNNYHDX-QGZVFWFLSA-N 0 3 318.486 3.283 20 30 DGEDHN Cn1cc(CN2CC[C@@H]3OCCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237464219 1100132373 /nfs/dbraw/zinc/13/23/73/1100132373.db2.gz CWKMDTKKEAWLRT-KXBFYZLASA-N 0 3 309.413 3.051 20 30 DGEDHN C[C@H]1CN(Cc2ccnc(C#N)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC001237461931 1100132400 /nfs/dbraw/zinc/13/24/00/1100132400.db2.gz CMJPAJKNZDXFDD-MGPUTAFESA-N 0 3 321.424 3.459 20 30 DGEDHN CCN(Cc1cn(C)c2ccc(C#N)cc12)Cc1ccncc1 ZINC001237467559 1100133771 /nfs/dbraw/zinc/13/37/71/1100133771.db2.gz XBJKBXAFGBHRDO-UHFFFAOYSA-N 0 3 304.397 3.467 20 30 DGEDHN Cn1cc(CN2CC[C@H]3CCCO[C@H]3C2)c2cc(C#N)ccc21 ZINC001237467868 1100134504 /nfs/dbraw/zinc/13/45/04/1100134504.db2.gz IGCHQXQZYHQPIL-BEFAXECRSA-N 0 3 309.413 3.051 20 30 DGEDHN CC[C@H](C)CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189858456 1100140548 /nfs/dbraw/zinc/14/05/48/1100140548.db2.gz RRVCTHKQHRXBCM-YJBOKZPZSA-N 0 3 313.445 3.027 20 30 DGEDHN N#Cc1cc(CN(C2CCC2)C2CCOCC2)c(F)cc1F ZINC001237532696 1100162322 /nfs/dbraw/zinc/16/23/22/1100162322.db2.gz YCNORTQTJIZWTI-UHFFFAOYSA-N 0 3 306.356 3.370 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237681685 1100212674 /nfs/dbraw/zinc/21/26/74/1100212674.db2.gz KOCSZQYMALGXPE-GFCCVEGCSA-N 0 3 308.219 3.308 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)C1 ZINC001190179176 1100218624 /nfs/dbraw/zinc/21/86/24/1100218624.db2.gz ZFHAQTVNGGWOOC-QAPCUYQASA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C/C=C\c3ccc(C)cc3)[C@@H]2C1 ZINC001190550926 1100293167 /nfs/dbraw/zinc/29/31/67/1100293167.db2.gz LCGDIPXJVWKCIK-WFRZBGSESA-N 0 3 310.441 3.117 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1=CCCCCC1 ZINC001281934368 1100416316 /nfs/dbraw/zinc/41/63/16/1100416316.db2.gz ZJVHKJUJNVNOBS-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ncc(C)cc1C)C2 ZINC001238428955 1100441244 /nfs/dbraw/zinc/44/12/44/1100441244.db2.gz KTXNKUJWQIRXPX-MJGOQNOKSA-N 0 3 316.445 3.025 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001278252166 1100476138 /nfs/dbraw/zinc/47/61/38/1100476138.db2.gz STTQGAHQTHZZNE-MAUKXSAKSA-N 0 3 316.420 3.017 20 30 DGEDHN Cc1ccc(Cl)c(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001191684339 1100505042 /nfs/dbraw/zinc/50/50/42/1100505042.db2.gz MFSDMJJCOUHQRS-ZDUSSCGKSA-N 0 3 322.817 3.454 20 30 DGEDHN CCc1cc(CN2CCc3ncnc(CC)c3CC2)ccc1C#N ZINC001238762967 1100521978 /nfs/dbraw/zinc/52/19/78/1100521978.db2.gz OSCSLSMSQDVNRZ-UHFFFAOYSA-N 0 3 320.440 3.074 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001191889058 1100539372 /nfs/dbraw/zinc/53/93/72/1100539372.db2.gz AFWKSCKDUSEALL-ZWKOTPCHSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191890675 1100540854 /nfs/dbraw/zinc/54/08/54/1100540854.db2.gz SUVKXPAIFRAWLW-QAPCUYQASA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cccnc2C)CCCCC1 ZINC001152010825 1100593035 /nfs/dbraw/zinc/59/30/35/1100593035.db2.gz QOLYGXFKSZNDCM-UHFFFAOYSA-N 0 3 315.461 3.122 20 30 DGEDHN CCCCCCCCCCNC(=S)N[C@@H]1CCNC[C@H]1F ZINC001239360002 1100643362 /nfs/dbraw/zinc/64/33/62/1100643362.db2.gz VWCVMCBVSBVGNA-HUUCEWRRSA-N 0 3 317.518 3.291 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192705178 1100656039 /nfs/dbraw/zinc/65/60/39/1100656039.db2.gz WQRMLKURUWZSSF-SFHVURJKSA-N 0 3 324.509 3.328 20 30 DGEDHN Cc1ccccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001239502124 1100678178 /nfs/dbraw/zinc/67/81/78/1100678178.db2.gz ZUKWNYCUQTZMKK-AWEZNQCLSA-N 0 3 309.369 3.401 20 30 DGEDHN CCCCCCC[C@H](C)NC(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001192937696 1100683120 /nfs/dbraw/zinc/68/31/20/1100683120.db2.gz IVPCRYYHZRCHFC-BBWFWOEESA-N 0 3 309.498 3.471 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccc(CC)c2)C1=O ZINC001273651922 1100697669 /nfs/dbraw/zinc/69/76/69/1100697669.db2.gz XIVOSPLZMGSYII-FQEVSTJZSA-N 0 3 312.457 3.392 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001193433139 1100745484 /nfs/dbraw/zinc/74/54/84/1100745484.db2.gz QAZCRFDLEDDTFG-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193642432 1100780564 /nfs/dbraw/zinc/78/05/64/1100780564.db2.gz NYYVMOKMQQUVQV-SFHVURJKSA-N 0 3 324.509 3.472 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCCC2CC2)C12CCC2 ZINC001203296627 1100906119 /nfs/dbraw/zinc/90/61/19/1100906119.db2.gz TUHNMJWDCYCFSK-HUUCEWRRSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194367600 1100920954 /nfs/dbraw/zinc/92/09/54/1100920954.db2.gz IXDBRNHMQSCQJC-MSOLQXFVSA-N 0 3 324.509 3.184 20 30 DGEDHN C#CCCCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001195675634 1101172328 /nfs/dbraw/zinc/17/23/28/1101172328.db2.gz WYADRUFPAOIAHV-IBGZPJMESA-N 0 3 310.441 3.012 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCCN(CC=C(C)C)CC1 ZINC001195839506 1101212072 /nfs/dbraw/zinc/21/20/72/1101212072.db2.gz PVRJXDZQLXSYJX-UHFFFAOYSA-N 0 3 322.493 3.250 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(Cl)c(CCC)c1 ZINC001273710047 1101224567 /nfs/dbraw/zinc/22/45/67/1101224567.db2.gz HDPYNHMKOBIITE-UHFFFAOYSA-N 0 3 320.864 3.368 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001196011143 1101235942 /nfs/dbraw/zinc/23/59/42/1101235942.db2.gz ZSBMWAOVOZVESL-QZTJIDSGSA-N 0 3 324.509 3.449 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C/Cc2ccccc2)CC1 ZINC001196215346 1101268334 /nfs/dbraw/zinc/26/83/34/1101268334.db2.gz CGXBRPVYFKLPLI-VOTSOKGWSA-N 0 3 312.457 3.286 20 30 DGEDHN CC#CCCCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001196847212 1101405691 /nfs/dbraw/zinc/40/56/91/1101405691.db2.gz XGZFCOMONQYYDK-FQEVSTJZSA-N 0 3 324.468 3.402 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccoc2C2CC2)CC1 ZINC001196925182 1101426895 /nfs/dbraw/zinc/42/68/95/1101426895.db2.gz GZKGCNYJDQKNKG-UHFFFAOYSA-N 0 3 302.418 3.271 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)C[C@@H](OC)c1ccccc1 ZINC001152312800 1101437065 /nfs/dbraw/zinc/43/70/65/1101437065.db2.gz CGIKILDOGMNXDQ-SJLPKXTDSA-N 0 3 318.461 3.167 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CCCCCOC)CC2)CCC1 ZINC001197076187 1101471864 /nfs/dbraw/zinc/47/18/64/1101471864.db2.gz CNJZHSIFIKCKKS-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccc(C)c(F)c2F)CC1 ZINC001197218158 1101498738 /nfs/dbraw/zinc/49/87/38/1101498738.db2.gz KMLYMRHSGORZHO-UHFFFAOYSA-N 0 3 322.399 3.387 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2sc(C)cc2OC)CC1 ZINC001197332555 1101549565 /nfs/dbraw/zinc/54/95/65/1101549565.db2.gz WRMVERMKUWNOND-UHFFFAOYSA-N 0 3 322.474 3.179 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2nc(C)oc2C)CC1 ZINC001197536463 1101582568 /nfs/dbraw/zinc/58/25/68/1101582568.db2.gz FFQWYKIUKBKXAO-UHFFFAOYSA-N 0 3 319.449 3.186 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC1(C)CC1)C2 ZINC001278334079 1101634543 /nfs/dbraw/zinc/63/45/43/1101634543.db2.gz AHAYXEMSWQEMHW-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN CN(C)Cc1ccccc1NC(=S)Nc1cccc(C#N)c1 ZINC001197714797 1101650092 /nfs/dbraw/zinc/65/00/92/1101650092.db2.gz MKTRDEUBSQJLBK-UHFFFAOYSA-N 0 3 310.426 3.429 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110501049 1101751036 /nfs/dbraw/zinc/75/10/36/1101751036.db2.gz WNAPSTQKKFAOGF-QRVBRYPASA-N 0 3 310.441 3.020 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)[C@H](C)CC)c1ccccc1OC ZINC001198539783 1101901638 /nfs/dbraw/zinc/90/16/38/1101901638.db2.gz DJIUEEADAUJDPV-WBVHZDCISA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)CCCF)c1ccccc1OC ZINC001198834178 1101991036 /nfs/dbraw/zinc/99/10/36/1101991036.db2.gz JPBRXLRWVNKTLA-INIZCTEOSA-N 0 3 322.424 3.158 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198836189 1101992290 /nfs/dbraw/zinc/99/22/90/1101992290.db2.gz ZYYDACDVGRDYPF-QGZVFWFLSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198885410 1102022550 /nfs/dbraw/zinc/02/25/50/1102022550.db2.gz GRTRFSOTEBWGHG-LPHOPBHVSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)C(C)(C)C)c1ccccc1OC ZINC001198968133 1102036892 /nfs/dbraw/zinc/03/68/92/1102036892.db2.gz KQKQJRHDXLIHAA-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN Cc1cc(C#N)ccc1-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001242473451 1102153064 /nfs/dbraw/zinc/15/30/64/1102153064.db2.gz ACERGFQOZJJNEH-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CCN([C@H](C)CC)C3=O)CC2)c1 ZINC001273791980 1102226966 /nfs/dbraw/zinc/22/69/66/1102226966.db2.gz FHDAKCGRLMJFJY-QGZVFWFLSA-N 0 3 324.468 3.281 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H](F)CC ZINC001273826593 1102345577 /nfs/dbraw/zinc/34/55/77/1102345577.db2.gz ZYQPLIRXLWKQHL-ZWKOTPCHSA-N 0 3 318.436 3.244 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001273840885 1102370997 /nfs/dbraw/zinc/37/09/97/1102370997.db2.gz OWONZNJNVPZNHM-HKUYNNGSSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2cc(C)c(C)s2)C1=O ZINC001273850979 1102391372 /nfs/dbraw/zinc/39/13/72/1102391372.db2.gz KCBNXTIMYSIOJT-QGZVFWFLSA-N 0 3 304.459 3.118 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001152842167 1102474754 /nfs/dbraw/zinc/47/47/54/1102474754.db2.gz PQWFPPRADATVPB-OAHLLOKOSA-N 0 3 306.475 3.268 20 30 DGEDHN CCc1ccccc1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001201141750 1102498433 /nfs/dbraw/zinc/49/84/33/1102498433.db2.gz UHRJKUJNEKJLQL-CQSZACIVSA-N 0 3 318.467 3.220 20 30 DGEDHN C=CCOCc1ncn2c1CN(CC1CCCCC1)CCC2 ZINC001201389692 1102578692 /nfs/dbraw/zinc/57/86/92/1102578692.db2.gz OQZGDLSLHSYLMT-UHFFFAOYSA-N 0 3 303.450 3.372 20 30 DGEDHN N#Cc1cnoc1N=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201469831 1102598948 /nfs/dbraw/zinc/59/89/48/1102598948.db2.gz CFBHSBIWKOQWOX-SJORKVTESA-N 0 3 306.369 3.279 20 30 DGEDHN CC(C)=CCC[C@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC001201491707 1102612752 /nfs/dbraw/zinc/61/27/52/1102612752.db2.gz VEAXRTBFVLQEBZ-KRWDZBQOSA-N 0 3 312.461 3.458 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001202131153 1102848535 /nfs/dbraw/zinc/84/85/35/1102848535.db2.gz UONXJHVHBRDUDQ-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN Cc1cc(-c2cccc(N3CCN(C)CC3)c2)ccc1CC#N ZINC001243671361 1102905386 /nfs/dbraw/zinc/90/53/86/1102905386.db2.gz NNGHRXZUUIBJAX-UHFFFAOYSA-N 0 3 305.425 3.480 20 30 DGEDHN CN1CCN(c2cccc(-c3cc(/C=N/O)ccc3F)c2)CC1 ZINC001243671429 1102906224 /nfs/dbraw/zinc/90/62/24/1102906224.db2.gz ZXXQSCREJNCGGR-DEDYPNTBSA-N 0 3 313.376 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C\c2ccco2)C12CCC2 ZINC001202355499 1102956635 /nfs/dbraw/zinc/95/66/35/1102956635.db2.gz ZPGKDMLWEFHFEV-JGUVHBTRSA-N 0 3 320.820 3.062 20 30 DGEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1csc(C)c1)CC2 ZINC001273942257 1102969614 /nfs/dbraw/zinc/96/96/14/1102969614.db2.gz IBXMRMLDBFSAEN-INIZCTEOSA-N 0 3 318.486 3.351 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(CCCC(F)(F)F)C2 ZINC001202415721 1102976126 /nfs/dbraw/zinc/97/61/26/1102976126.db2.gz PJDOUXYBMNNNDM-UONOGXRCSA-N 0 3 307.356 3.155 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C2 ZINC001111093638 1103043979 /nfs/dbraw/zinc/04/39/79/1103043979.db2.gz GJTDPTHGXHUQPV-MANSERQUSA-N 0 3 316.489 3.338 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001488651054 1103084191 /nfs/dbraw/zinc/08/41/91/1103084191.db2.gz LFXWPSZFZLZNPI-SFHVURJKSA-N 0 3 302.462 3.213 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001488659649 1103118923 /nfs/dbraw/zinc/11/89/23/1103118923.db2.gz ALARPUSKXDXSBD-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC001325902222 1103157836 /nfs/dbraw/zinc/15/78/36/1103157836.db2.gz FCFZCADAUBENBZ-PBHICJAKSA-N 0 3 319.832 3.353 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001111313677 1103205861 /nfs/dbraw/zinc/20/58/61/1103205861.db2.gz QEOHLZOWNMAVCV-TVFCKZIOSA-N 0 3 324.509 3.493 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1C1CC1)C2 ZINC001095811324 1103214314 /nfs/dbraw/zinc/21/43/14/1103214314.db2.gz NCRPHAQCWYSQDP-UXPWSPDFSA-N 0 3 322.452 3.231 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001489096693 1103267452 /nfs/dbraw/zinc/26/74/52/1103267452.db2.gz NWNSLJZJAPBKPQ-QZTJIDSGSA-N 0 3 318.436 3.474 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001326419896 1103308947 /nfs/dbraw/zinc/30/89/47/1103308947.db2.gz UKELDZIVKIFBMA-HNNXBMFYSA-N 0 3 306.837 3.189 20 30 DGEDHN C=CCC1(C(=O)N2CCCCC[C@H](NCCF)C2)CCCC1 ZINC001489241278 1103337103 /nfs/dbraw/zinc/33/71/03/1103337103.db2.gz BGUDITVOHQMWTL-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC(C1CC1)C1CC1 ZINC001489334181 1103363552 /nfs/dbraw/zinc/36/35/52/1103363552.db2.gz LLVQVEWMKUMUSO-KRWDZBQOSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)C)CC(C)(C)C1 ZINC001489349350 1103375833 /nfs/dbraw/zinc/37/58/33/1103375833.db2.gz GGWCQMWCRMEQJJ-INIZCTEOSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114692253 1103391999 /nfs/dbraw/zinc/39/19/99/1103391999.db2.gz DAWXVDNUKFLCOR-KKBVYLPWSA-N 0 3 316.420 3.145 20 30 DGEDHN CC/C=C(/C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001326787313 1103443203 /nfs/dbraw/zinc/44/32/03/1103443203.db2.gz YWCMMCOWKCQRGK-ACAGNQJTSA-N 0 3 317.458 3.105 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cccnc2C)CCC1 ZINC001326878569 1103468092 /nfs/dbraw/zinc/46/80/92/1103468092.db2.gz WTEJXHUAHIKBOR-GOSISDBHSA-N 0 3 315.461 3.121 20 30 DGEDHN Cc1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cc1C#N ZINC001244495073 1103481258 /nfs/dbraw/zinc/48/12/58/1103481258.db2.gz KMMBKZXQVHVDNM-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001490205893 1103500319 /nfs/dbraw/zinc/50/03/19/1103500319.db2.gz PQOLMRMZYVIIDL-DAWZGUTISA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](C=C)c1ccccc1 ZINC001276333029 1103506266 /nfs/dbraw/zinc/50/62/66/1103506266.db2.gz CIAPEZMBYZDUCU-QUCCMNQESA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(F)cccc1Cl ZINC001276345500 1103518178 /nfs/dbraw/zinc/51/81/78/1103518178.db2.gz POJACMGYCRHNSF-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001490299954 1103546731 /nfs/dbraw/zinc/54/67/31/1103546731.db2.gz SXEAYIXVNHWASZ-ZIAGYGMSSA-N 0 3 309.841 3.048 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001490299948 1103547137 /nfs/dbraw/zinc/54/71/37/1103547137.db2.gz SXEAYIXVNHWASZ-KBPBESRZSA-N 0 3 309.841 3.048 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001327161819 1103561660 /nfs/dbraw/zinc/56/16/60/1103561660.db2.gz GJPCBVKFABACBI-MJGOQNOKSA-N 0 3 312.457 3.174 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001327173230 1103566166 /nfs/dbraw/zinc/56/61/66/1103566166.db2.gz OQKDBTWDEGIHMZ-BPJPHKDRSA-N 0 3 324.468 3.392 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001327212792 1103587878 /nfs/dbraw/zinc/58/78/78/1103587878.db2.gz INUUKNUENKSYCY-ABHNRTSZSA-N 0 3 306.494 3.252 20 30 DGEDHN CCCCC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001490398158 1103592923 /nfs/dbraw/zinc/59/29/23/1103592923.db2.gz FSMFKEJLTYDOTR-UHFFFAOYSA-N 0 3 313.445 3.171 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC001490440390 1103601421 /nfs/dbraw/zinc/60/14/21/1103601421.db2.gz IABLBEKCPRZFTL-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001490450696 1103608981 /nfs/dbraw/zinc/60/89/81/1103608981.db2.gz WYBICIFOAVQOFI-AWEZNQCLSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)OC2CCCCCC2)CC1 ZINC001490416135 1103615845 /nfs/dbraw/zinc/61/58/45/1103615845.db2.gz KPYPOJMPIDXFHK-INIZCTEOSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114897040 1103618626 /nfs/dbraw/zinc/61/86/26/1103618626.db2.gz VFZHNRUEUBOREC-ZSHCYNCHSA-N 0 3 318.486 3.205 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001490605518 1103677440 /nfs/dbraw/zinc/67/74/40/1103677440.db2.gz GDUHTICBROEPQE-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1Cl)C2 ZINC001096046689 1103735701 /nfs/dbraw/zinc/73/57/01/1103735701.db2.gz CROLIKYSACBJOQ-COXVUDFISA-N 0 3 316.832 3.007 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCCCF)CCC1 ZINC001110652690 1103771597 /nfs/dbraw/zinc/77/15/97/1103771597.db2.gz PJKDRNCHDNBLQA-ZACQAIPSSA-N 0 3 320.452 3.041 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202487004 1103775259 /nfs/dbraw/zinc/77/52/59/1103775259.db2.gz AVYZNRHPXRZOLJ-OALUTQOASA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1)C2 ZINC001096410548 1103825603 /nfs/dbraw/zinc/82/56/03/1103825603.db2.gz UOPQXEIJGKRIQU-PMPSAXMXSA-N 0 3 304.821 3.251 20 30 DGEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CCCC1CC1 ZINC001278396688 1103839783 /nfs/dbraw/zinc/83/97/83/1103839783.db2.gz BUGOGEQMCUWWJT-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114343563 1103868487 /nfs/dbraw/zinc/86/84/87/1103868487.db2.gz QFXCWKRXHAJBKK-WKCGWZECSA-N 0 3 316.420 3.289 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C2 ZINC001096573604 1103869139 /nfs/dbraw/zinc/86/91/39/1103869139.db2.gz ZPRUJNSONBQKGJ-ZSGPHXLJSA-N 0 3 316.420 3.227 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1CC)C2 ZINC001096600143 1103878626 /nfs/dbraw/zinc/87/86/26/1103878626.db2.gz PDGXOTGQDXUFRT-ILXRZTDVSA-N 0 3 304.459 3.222 20 30 DGEDHN C=CCC[C@H](O)CNCc1cc(OC(F)(F)F)ccc1F ZINC001252615920 1103886833 /nfs/dbraw/zinc/88/68/33/1103886833.db2.gz IMJDLMCUPPELQU-NSHDSACASA-N 0 3 307.287 3.141 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(C(C)(C)C)C1)C2 ZINC001096641038 1103893874 /nfs/dbraw/zinc/89/38/74/1103893874.db2.gz KHXDTEZTERKDPN-JWRYVHENSA-N 0 3 304.478 3.356 20 30 DGEDHN CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001328619038 1103999610 /nfs/dbraw/zinc/99/96/10/1103999610.db2.gz CQYVCILXDHFPJX-ZIAGYGMSSA-N 0 3 305.403 3.182 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001328885167 1104094862 /nfs/dbraw/zinc/09/48/62/1104094862.db2.gz HYAPDEONHNIBMR-UHFFFAOYSA-N 0 3 310.825 3.055 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001328940552 1104104960 /nfs/dbraw/zinc/10/49/60/1104104960.db2.gz KCKPLBCIVXLINC-GRTSSRMGSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC(F)(F)F)C12CCC2 ZINC001202704152 1104125006 /nfs/dbraw/zinc/12/50/06/1104125006.db2.gz OMASYHHGSOCORV-WDEREUQCSA-N 0 3 324.774 3.098 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001329044571 1104135616 /nfs/dbraw/zinc/13/56/16/1104135616.db2.gz GNMREOGCWBCKFG-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001329428358 1104261198 /nfs/dbraw/zinc/26/11/98/1104261198.db2.gz QHYPEKVYTHHVFU-CABCVRRESA-N 0 3 304.409 3.127 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1oc2c(cccc2F)c1C ZINC001329460209 1104271232 /nfs/dbraw/zinc/27/12/32/1104271232.db2.gz OZQURDFXRJWDNO-LLVKDONJSA-N 0 3 304.365 3.116 20 30 DGEDHN CC(C)N(C(=S)Nc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC001245914773 1104305430 /nfs/dbraw/zinc/30/54/30/1104305430.db2.gz OEWQCWIIJLXHFJ-UHFFFAOYSA-N 0 3 316.474 3.060 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@@H](C)C1 ZINC001319676912 1104333833 /nfs/dbraw/zinc/33/38/33/1104333833.db2.gz VCJHWFCHWKLQNY-OVJSSFAUSA-N 0 3 305.249 3.098 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1csc(C)c1 ZINC001274339195 1104358001 /nfs/dbraw/zinc/35/80/01/1104358001.db2.gz LLULWBZFZTTXCX-QWPQOLDESA-N 0 3 306.475 3.421 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1csc(C)c1 ZINC001274339194 1104358301 /nfs/dbraw/zinc/35/83/01/1104358301.db2.gz LLULWBZFZTTXCX-OZSKJFCKSA-N 0 3 306.475 3.421 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1ccnc(Cl)c1 ZINC001274340669 1104358365 /nfs/dbraw/zinc/35/83/65/1104358365.db2.gz WMPKNNHVAGQANL-JTGQJZMRSA-N 0 3 321.852 3.099 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1sc(C)nc1C ZINC001274393440 1104370549 /nfs/dbraw/zinc/37/05/49/1104370549.db2.gz JZLZZMBPJMPSKO-BQYQJAHWSA-N 0 3 321.490 3.124 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1cccc(C2CCCC2)c1 ZINC001274499285 1104397773 /nfs/dbraw/zinc/39/77/73/1104397773.db2.gz UUNUCEYHXWSZLE-VOTSOKGWSA-N 0 3 310.441 3.243 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001274587888 1104415070 /nfs/dbraw/zinc/41/50/70/1104415070.db2.gz GGKOAUPEQRJJDC-YJBOKZPZSA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001329951485 1104435191 /nfs/dbraw/zinc/43/51/91/1104435191.db2.gz HEPZPMNCTYDZPM-QZTJIDSGSA-N 0 3 318.436 3.114 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001330030875 1104457525 /nfs/dbraw/zinc/45/75/25/1104457525.db2.gz HEWPZZFJJLQVNP-MRXNPFEDSA-N 0 3 314.473 3.452 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC001278438859 1104459512 /nfs/dbraw/zinc/45/95/12/1104459512.db2.gz XZSKRMDSSCJGOL-PXNSSMCTSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001330052730 1104464955 /nfs/dbraw/zinc/46/49/55/1104464955.db2.gz CHNGZHGENIWVDY-LSDHHAIUSA-N 0 3 318.436 3.017 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001330087437 1104476700 /nfs/dbraw/zinc/47/67/00/1104476700.db2.gz ZFIIUDOAAPOKSY-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCN1CC2(C1)CN(C(=O)Nc1cc(F)ccc1F)C2 ZINC001274964363 1104557503 /nfs/dbraw/zinc/55/75/03/1104557503.db2.gz KUHFWXNJOZADAM-UHFFFAOYSA-N 0 3 321.371 3.081 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001330707439 1104626237 /nfs/dbraw/zinc/62/62/37/1104626237.db2.gz DDEYVKDOPHEDLL-ZOBUZTSGSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C(F)F)cc1 ZINC001275151278 1104653571 /nfs/dbraw/zinc/65/35/71/1104653571.db2.gz YWQUYMGWMJQWDN-HNNXBMFYSA-N 0 3 308.372 3.347 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]([C@@H]2CCN(CCF)C2)C1 ZINC001275183003 1104669045 /nfs/dbraw/zinc/66/90/45/1104669045.db2.gz AZVHMYMZOFAVMK-ZWKOTPCHSA-N 0 3 322.468 3.285 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001275355061 1104734444 /nfs/dbraw/zinc/73/44/44/1104734444.db2.gz JNBMUXKCEMQLOL-PJWHXWNJSA-N 0 3 317.408 3.036 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cc2ccccc2o1 ZINC001275384820 1104743861 /nfs/dbraw/zinc/74/38/61/1104743861.db2.gz DRAFLURTGVLJST-LSDHHAIUSA-N 0 3 312.413 3.219 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001275461658 1104766613 /nfs/dbraw/zinc/76/66/13/1104766613.db2.gz QSTCRIRTVFIUIG-IAGOWNOFSA-N 0 3 312.457 3.123 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2cccc(C)c2)cc1 ZINC001275613141 1104832767 /nfs/dbraw/zinc/83/27/67/1104832767.db2.gz CSGFSDAEUYKZIV-QGZVFWFLSA-N 0 3 320.436 3.227 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)CCc1csc(C)n1 ZINC001275639416 1104842682 /nfs/dbraw/zinc/84/26/82/1104842682.db2.gz VMUKKWBXUDWGCN-CXAGYDPISA-N 0 3 323.506 3.033 20 30 DGEDHN N#Cc1ccc(F)c(-c2noc(C[C@@H](N)c3cccs3)n2)c1 ZINC001247258767 1104854004 /nfs/dbraw/zinc/85/40/04/1104854004.db2.gz DQCZVTLKBCZILT-GFCCVEGCSA-N 0 3 314.345 3.051 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1cnoc1C ZINC001275710643 1104875602 /nfs/dbraw/zinc/87/56/02/1104875602.db2.gz VYBAWGCBTWMDHC-SFHVURJKSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)s1 ZINC001275729117 1104883382 /nfs/dbraw/zinc/88/33/82/1104883382.db2.gz KSZFRMSXVQZHCE-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CCc1ccc(C(C)C)cc1 ZINC001275882853 1104943023 /nfs/dbraw/zinc/94/30/23/1104943023.db2.gz UWXSZYPJRKIPEC-INIZCTEOSA-N 0 3 302.462 3.365 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001275946967 1104965809 /nfs/dbraw/zinc/96/58/09/1104965809.db2.gz UJWMAWIZEZMSLQ-WMZOPIPTSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2cc(F)ccc2s1 ZINC001275994476 1104981558 /nfs/dbraw/zinc/98/15/58/1104981558.db2.gz URZLXCSDFGGJAW-NSHDSACASA-N 0 3 306.406 3.277 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cccc(=O)[nH]1 ZINC001276037272 1104993120 /nfs/dbraw/zinc/99/31/20/1104993120.db2.gz ZIQQMJWDABOEMN-HDICACEKSA-N 0 3 315.461 3.182 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001095456281 1105014612 /nfs/dbraw/zinc/01/46/12/1105014612.db2.gz PBHNBNGUWKNRPN-MHORFTMASA-N 0 3 302.462 3.421 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](CC)SC)CCCCC1 ZINC001276194228 1105044289 /nfs/dbraw/zinc/04/42/89/1105044289.db2.gz JSUBYGGLLWHTDJ-CYBMUJFWSA-N 0 3 318.914 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110897515 1105105757 /nfs/dbraw/zinc/10/57/57/1105105757.db2.gz MXXWPWSVMMOQBO-KURKYZTESA-N 0 3 312.457 3.429 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001278505867 1105111720 /nfs/dbraw/zinc/11/17/20/1105111720.db2.gz LZEQWBUUPSSPHO-SJLPKXTDSA-N 0 3 320.477 3.049 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110925453 1105120793 /nfs/dbraw/zinc/12/07/93/1105120793.db2.gz ZZGCKEFLGQKVJE-AQNXPRMDSA-N 0 3 324.468 3.410 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1ccc(-n2nccn2)cc1 ZINC001248771379 1105159090 /nfs/dbraw/zinc/15/90/90/1105159090.db2.gz CXLDGWYFMMGAJJ-UHFFFAOYSA-N 0 3 304.397 3.456 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1csc(C)c1)C2 ZINC001248803097 1105165009 /nfs/dbraw/zinc/16/50/09/1105165009.db2.gz GCSPVSOUEZITIA-DLBZAZTESA-N 0 3 307.459 3.383 20 30 DGEDHN N#Cc1ccn2ncc(CN3CC[C@@H](c4ccc(F)cc4)C3)c2c1 ZINC001249113665 1105228028 /nfs/dbraw/zinc/22/80/28/1105228028.db2.gz MNSBDFDKQIOMRV-MRXNPFEDSA-N 0 3 320.371 3.335 20 30 DGEDHN CC(C)(C)c1ccc(-c2noc([C@@H]3C[C@@H]4C[C@@H]4N3)n2)c(C#N)c1 ZINC001249145521 1105231886 /nfs/dbraw/zinc/23/18/86/1105231886.db2.gz OVBKVFYFCBBODM-LKTVYLICSA-N 0 3 308.385 3.329 20 30 DGEDHN C#CC[C@]1(c2nc(-c3nc4ccccc4cc3C)no2)CCCN1 ZINC001249351725 1105272320 /nfs/dbraw/zinc/27/23/20/1105272320.db2.gz FNMZDTLOYDWJHC-LJQANCHMSA-N 0 3 318.380 3.195 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc4ccccc43)no2)CCCN1 ZINC001249352232 1105272451 /nfs/dbraw/zinc/27/24/51/1105272451.db2.gz ZAQOFXBPZKRXIK-LJQANCHMSA-N 0 3 303.365 3.492 20 30 DGEDHN N#Cc1cc(NC2=CC[C@@H](N3CCOCC3)CC2)cc(F)c1F ZINC001249560106 1105315263 /nfs/dbraw/zinc/31/52/63/1105315263.db2.gz REJKPCHAMXYEDW-OAHLLOKOSA-N 0 3 319.355 3.017 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CCOC(C)C)[C@@H]2C)CC1 ZINC001278521973 1105332870 /nfs/dbraw/zinc/33/28/70/1105332870.db2.gz SBDXSLJYQBTGQU-SJLPKXTDSA-N 0 3 322.493 3.127 20 30 DGEDHN CCCCCCN1CCN(Cc2cccc(C#N)c2F)CC1 ZINC001249686232 1105353509 /nfs/dbraw/zinc/35/35/09/1105353509.db2.gz ZWXYYKGOZXILQL-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCCCC1)C2 ZINC001097237184 1105371991 /nfs/dbraw/zinc/37/19/91/1105371991.db2.gz GZGMKJSVEXLJDI-ZACQAIPSSA-N 0 3 302.462 3.092 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2 ZINC001097281926 1105378305 /nfs/dbraw/zinc/37/83/05/1105378305.db2.gz QUCOEOSWJHCWHE-HONMWMINSA-N 0 3 310.850 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C2 ZINC001097565494 1105408987 /nfs/dbraw/zinc/40/89/87/1105408987.db2.gz RLLNVOXCIBFSRU-KYHREEPGSA-N 0 3 324.468 3.262 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC1 ZINC001097788484 1105447807 /nfs/dbraw/zinc/44/78/07/1105447807.db2.gz GJLFCPIMOMNSTD-KURKYZTESA-N 0 3 302.462 3.421 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCCCC1)C2 ZINC001097938010 1105474974 /nfs/dbraw/zinc/47/49/74/1105474974.db2.gz VPJFPGHVSXVSQD-KURKYZTESA-N 0 3 302.462 3.092 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C(C)C)c1)C2 ZINC001098152251 1105560341 /nfs/dbraw/zinc/56/03/41/1105560341.db2.gz HEZWEIAUOYVXIB-QRVBRYPASA-N 0 3 310.441 3.168 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001098897718 1105612775 /nfs/dbraw/zinc/61/27/75/1105612775.db2.gz MVCPVFQEQJVIOG-LNLFQRSKSA-N 0 3 302.462 3.280 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CC(=C)C ZINC001098960936 1105619157 /nfs/dbraw/zinc/61/91/57/1105619157.db2.gz UDBZFOVLZHGNPO-DLBZAZTESA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOC1CCC1 ZINC001098965812 1105619420 /nfs/dbraw/zinc/61/94/20/1105619420.db2.gz BTIWJQNNUWYSJZ-INIZCTEOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccc(C)o1 ZINC001099023795 1105631448 /nfs/dbraw/zinc/63/14/48/1105631448.db2.gz SZZBKJIBBBEJKG-INIZCTEOSA-N 0 3 318.461 3.313 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccsc2Cl)C1 ZINC001099060615 1105637142 /nfs/dbraw/zinc/63/71/42/1105637142.db2.gz BDMWTFNKGBXEME-NHYWBVRUSA-N 0 3 310.850 3.172 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001099069146 1105638799 /nfs/dbraw/zinc/63/87/99/1105638799.db2.gz BMPNSYWQGNBGSG-MRXNPFEDSA-N 0 3 304.478 3.219 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cccnc3c2)C1 ZINC001099084024 1105640824 /nfs/dbraw/zinc/64/08/24/1105640824.db2.gz BYPHQRODPHGXOA-PXNSSMCTSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](OCC)C(=C)C ZINC001099098215 1105642576 /nfs/dbraw/zinc/64/25/76/1105642576.db2.gz MCMUINRXFOFDFX-IAGOWNOFSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC(F)F ZINC001099144774 1105648377 /nfs/dbraw/zinc/64/83/77/1105648377.db2.gz MVWPAXCXTFPQGV-CHWSQXEVSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1CCOC(C)C ZINC001099171206 1105652882 /nfs/dbraw/zinc/65/28/82/1105652882.db2.gz OMFYUNRWGAGZOI-MRXNPFEDSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cncc3ccccc32)C1 ZINC001099173831 1105653616 /nfs/dbraw/zinc/65/36/16/1105653616.db2.gz MRMOJWQHWIQYCX-JXFKEZNVSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001099179249 1105654602 /nfs/dbraw/zinc/65/46/02/1105654602.db2.gz IWKGFDGOTBXVJY-GJYPPUQNSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001099179248 1105654718 /nfs/dbraw/zinc/65/47/18/1105654718.db2.gz IWKGFDGOTBXVJY-BXWFABGCSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001099181122 1105654864 /nfs/dbraw/zinc/65/48/64/1105654864.db2.gz PHIFWCQNIPMFKT-UGZUTAHUSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001099230596 1105660400 /nfs/dbraw/zinc/66/04/00/1105660400.db2.gz WCEYCZSHDPZWLD-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(F)(F)C(F)F ZINC001099235829 1105660584 /nfs/dbraw/zinc/66/05/84/1105660584.db2.gz UCUHYMFWJZNEEY-NSHDSACASA-N 0 3 324.362 3.070 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1C(F)(F)F ZINC001099243443 1105661460 /nfs/dbraw/zinc/66/14/60/1105661460.db2.gz QSIZGGLGLVPZCO-ZIAGYGMSSA-N 0 3 316.367 3.042 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(F)CCCCC1 ZINC001099297471 1105666029 /nfs/dbraw/zinc/66/60/29/1105666029.db2.gz HVLWTVSNOPXLRG-MRXNPFEDSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cccs1 ZINC001099333837 1105669592 /nfs/dbraw/zinc/66/95/92/1105669592.db2.gz BCRDLPVGRUPIKD-OAHLLOKOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccccc1C ZINC001099333881 1105670038 /nfs/dbraw/zinc/67/00/38/1105670038.db2.gz CBCZLGNAEHJYNM-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ccc(C)o1 ZINC001099348041 1105671671 /nfs/dbraw/zinc/67/16/71/1105671671.db2.gz FODPYZAKCVPWEY-MRXNPFEDSA-N 0 3 318.461 3.313 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC(C)C ZINC001099411085 1105677461 /nfs/dbraw/zinc/67/74/61/1105677461.db2.gz UBMSWMYQAPXIJA-HZMVEIRTSA-N 0 3 324.896 3.344 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C=C(\C)CC ZINC001099475854 1105684129 /nfs/dbraw/zinc/68/41/29/1105684129.db2.gz YVWDBTCJEASAIP-NSJSCWEBSA-N 0 3 322.880 3.264 20 30 DGEDHN C[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001491047458 1105741092 /nfs/dbraw/zinc/74/10/92/1105741092.db2.gz IXUBWLPGIPXXEP-MDNKFWRPSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC001252123135 1105744250 /nfs/dbraw/zinc/74/42/50/1105744250.db2.gz DBCNHHASEVAIHG-KBPBESRZSA-N 0 3 311.388 3.097 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CC[C@@H](Oc2ncccn2)C1 ZINC001252134112 1105747840 /nfs/dbraw/zinc/74/78/40/1105747840.db2.gz VKEKCDCRWKFDQA-IAGOWNOFSA-N 0 3 321.465 3.041 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001491082087 1105749701 /nfs/dbraw/zinc/74/97/01/1105749701.db2.gz CLXROHGCDNPNDF-XYPHTWIQSA-N 0 3 320.864 3.163 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CNCc2csc(C)n2)C1 ZINC001491151828 1105763124 /nfs/dbraw/zinc/76/31/24/1105763124.db2.gz JEVBUNRKQWLORZ-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCOC[C@H](O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001252488104 1105784322 /nfs/dbraw/zinc/78/43/22/1105784322.db2.gz FWNYOHXDRNXPKM-GFCCVEGCSA-N 0 3 318.244 3.382 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001491200409 1105772481 /nfs/dbraw/zinc/77/24/81/1105772481.db2.gz NNULWRLHEKGQDI-CQSZACIVSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H](NC/C=C/Cl)C(C)(C)C2)CC1 ZINC001278667376 1105781342 /nfs/dbraw/zinc/78/13/42/1105781342.db2.gz QEGKPWRROWBGGJ-BCFOUKGLSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C[C@@](C)(O)CN1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001252554700 1105793154 /nfs/dbraw/zinc/79/31/54/1105793154.db2.gz KADXJSAUWMRMTE-WMLDXEAASA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCC[C@@H](O)CN1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001252599870 1105800410 /nfs/dbraw/zinc/80/04/10/1105800410.db2.gz MIPLBPQOSIBDNZ-NVXWUHKLSA-N 0 3 307.459 3.112 20 30 DGEDHN COC[C@@H](O)CN(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001252818834 1105836506 /nfs/dbraw/zinc/83/65/06/1105836506.db2.gz JKSIFFWQYKOTPZ-JXFKEZNVSA-N 0 3 324.424 3.129 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001100854982 1105856243 /nfs/dbraw/zinc/85/62/43/1105856243.db2.gz LGQHTWOEHJEPNB-LRVUVFPRSA-N 0 3 300.874 3.296 20 30 DGEDHN CCCCCCCCCC[C@H](O)CNCC(=O)NCC(C)C ZINC001252985698 1105866164 /nfs/dbraw/zinc/86/61/64/1105866164.db2.gz FWINONNQLNZSHM-KRWDZBQOSA-N 0 3 314.514 3.240 20 30 DGEDHN CCCC[C@@H](CC)COC[C@H](O)CNCc1cc(C#N)cs1 ZINC001253033784 1105880639 /nfs/dbraw/zinc/88/06/39/1105880639.db2.gz KXQOGEWIDBCOPE-GDBMZVCRSA-N 0 3 324.490 3.303 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001101379116 1105915772 /nfs/dbraw/zinc/91/57/72/1105915772.db2.gz WMAYURLEWUZNCO-RKVPGOIHSA-N 0 3 310.457 3.117 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102000224 1106007828 /nfs/dbraw/zinc/00/78/28/1106007828.db2.gz GEZAHWKQDIGESO-SVJDAXRGSA-N 0 3 319.276 3.202 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)C(C)C)C1 ZINC001102766031 1106103635 /nfs/dbraw/zinc/10/36/35/1106103635.db2.gz OHVRTBWSWFZXHQ-SQWLQELKSA-N 0 3 314.901 3.495 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254661272 1106126087 /nfs/dbraw/zinc/12/60/87/1106126087.db2.gz RGSDUYZIKVHYKN-SOUVJXGZSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]12CCCN([C@H]1CC[C@H](C#N)C1)C2 ZINC001254660461 1106126269 /nfs/dbraw/zinc/12/62/69/1106126269.db2.gz IFWBZLRWSQHVGV-MPGHIAIKSA-N 0 3 319.449 3.154 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254661266 1106126859 /nfs/dbraw/zinc/12/68/59/1106126859.db2.gz RGSDUYZIKVHYKN-ILXRZTDVSA-N 0 3 307.438 3.058 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001254673458 1106130530 /nfs/dbraw/zinc/13/05/30/1106130530.db2.gz LEMUHUMIZQIMBU-DGCLKSJQSA-N 0 3 313.228 3.480 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3cccc(Cl)n3)CC2)C1 ZINC001254672487 1106130690 /nfs/dbraw/zinc/13/06/90/1106130690.db2.gz BVQIBQHBKFQSDG-QWHCGFSZSA-N 0 3 305.809 3.270 20 30 DGEDHN C[C@H]1CN([C@H]2CC[C@H](C#N)C2)CCCN1C(=O)OC(C)(C)C ZINC001254673034 1106131004 /nfs/dbraw/zinc/13/10/04/1106131004.db2.gz GGUMSXZVWCETEJ-KKUMJFAQSA-N 0 3 307.438 3.010 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC[C@H](N3Cc4ccccc4NC3=O)C2)C1 ZINC001254676789 1106131991 /nfs/dbraw/zinc/13/19/91/1106131991.db2.gz OCJDITAWEXKTMO-XIRDDKMYSA-N 0 3 324.428 3.191 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCC(C)(F)F)C1 ZINC001103155738 1106165849 /nfs/dbraw/zinc/16/58/49/1106165849.db2.gz WEWFZGPAPLPFBH-DGCLKSJQSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(CC)o2)C1 ZINC001103153228 1106165856 /nfs/dbraw/zinc/16/58/56/1106165856.db2.gz OWNOXDKYGBRCDR-TZMCWYRMSA-N 0 3 324.852 3.282 20 30 DGEDHN CC[C@@H]1CN(c2cccc(CC#N)n2)CCN1Cc1ccccc1 ZINC001255103876 1106179789 /nfs/dbraw/zinc/17/97/89/1106179789.db2.gz RMEUBSPGCMSOLO-LJQANCHMSA-N 0 3 320.440 3.248 20 30 DGEDHN CC[C@@H](CC#N)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001255154758 1106193315 /nfs/dbraw/zinc/19/33/15/1106193315.db2.gz GSEKEIUZQYQGSU-CABCVRRESA-N 0 3 309.454 3.305 20 30 DGEDHN CC[C@H](CC#N)NCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001255156279 1106193372 /nfs/dbraw/zinc/19/33/72/1106193372.db2.gz YWBWIVQVBZKGDC-HUUCEWRRSA-N 0 3 309.454 3.448 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001255160344 1106193914 /nfs/dbraw/zinc/19/39/14/1106193914.db2.gz ITHHKYJHXBRPFA-INIZCTEOSA-N 0 3 319.424 3.081 20 30 DGEDHN CC[C@H](CC#N)NCC1(Cc2ccc(OC)cc2)CCOCC1 ZINC001255162710 1106194959 /nfs/dbraw/zinc/19/49/59/1106194959.db2.gz XLBVMDCKIIVPJV-QGZVFWFLSA-N 0 3 316.445 3.316 20 30 DGEDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N(CCC#N)C1CCCC1)C2 ZINC001255206574 1106205342 /nfs/dbraw/zinc/20/53/42/1106205342.db2.gz DZQANCJRNMLLOX-FVQHAEBGSA-N 0 3 319.449 3.297 20 30 DGEDHN C=CCN1CCC[C@H](N[C@@H](C)CSc2ccc(F)cc2)C1=O ZINC001255736117 1106304348 /nfs/dbraw/zinc/30/43/48/1106304348.db2.gz SLKJQANSDFYNGT-BBRMVZONSA-N 0 3 322.449 3.073 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](N2CCC[C@@H](CC#N)C2)C1 ZINC001255914261 1106342502 /nfs/dbraw/zinc/34/25/02/1106342502.db2.gz HPJOPZKPMXXCRO-GJZGRUSLSA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C(C)C)no1)C(C)C ZINC001278922941 1106397551 /nfs/dbraw/zinc/39/75/51/1106397551.db2.gz ZBANZMGVMBKEKY-UHFFFAOYSA-N 0 3 307.438 3.157 20 30 DGEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cccc(C#N)c1C ZINC001256638997 1106459988 /nfs/dbraw/zinc/45/99/88/1106459988.db2.gz MEGUXLJAJNHZFI-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2C1CCC(C#N)CC1 ZINC001256971111 1106518067 /nfs/dbraw/zinc/51/80/67/1106518067.db2.gz CFPNJKOPICEYCQ-CKUJCDMFSA-N 0 3 319.449 3.152 20 30 DGEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(C#N)CC2)CC12CC2 ZINC001256970012 1106518358 /nfs/dbraw/zinc/51/83/58/1106518358.db2.gz RWFSGEZZIXSLPY-UHFFFAOYSA-N 0 3 319.449 3.154 20 30 DGEDHN C[C@@]1(O)CCN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001257016335 1106524302 /nfs/dbraw/zinc/52/43/02/1106524302.db2.gz AERANCJOTSWAHT-WZOJCFFYSA-N 0 3 316.420 3.379 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001278996059 1106545228 /nfs/dbraw/zinc/54/52/28/1106545228.db2.gz RDWJWHVCYDHOON-DZGCQCFKSA-N 0 3 323.506 3.366 20 30 DGEDHN CC(C)[C@H]1C[C@H](N2CC(CC#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257187903 1106550366 /nfs/dbraw/zinc/55/03/66/1106550366.db2.gz XRLKCDMPXVEASL-HZPDHXFCSA-N 0 3 321.465 3.256 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H](CC)CCCC ZINC001257423878 1106586578 /nfs/dbraw/zinc/58/65/78/1106586578.db2.gz WUHSLEXZRYIJDA-WBVHZDCISA-N 0 3 305.466 3.491 20 30 DGEDHN C=CCN1CCN([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257563894 1106606861 /nfs/dbraw/zinc/60/68/61/1106606861.db2.gz ILQYKUUSVVZYHK-AWEZNQCLSA-N 0 3 323.278 3.184 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NCc2nccs2)C1 ZINC001279025101 1106608893 /nfs/dbraw/zinc/60/88/93/1106608893.db2.gz MLFIDNIHVJIVLU-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN CCCCCCC[C@H](C)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001258048490 1106663731 /nfs/dbraw/zinc/66/37/31/1106663731.db2.gz VCWZJAKOQMZLNM-AWEZNQCLSA-N 0 3 320.481 3.152 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CCN(C[C@H](F)CC)CC1 ZINC001279089810 1106714540 /nfs/dbraw/zinc/71/45/40/1106714540.db2.gz QMQZMFBCNUEYHV-NVXWUHKLSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001316939251 1106790364 /nfs/dbraw/zinc/79/03/64/1106790364.db2.gz FHGNSLUYAYJBJQ-OAHLLOKOSA-N 0 3 321.490 3.392 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C(C)(C)C)s1 ZINC001320084593 1106853169 /nfs/dbraw/zinc/85/31/69/1106853169.db2.gz JDMWELTTXUXMSG-UHFFFAOYSA-N 0 3 306.475 3.073 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC001320084396 1106854829 /nfs/dbraw/zinc/85/48/29/1106854829.db2.gz IODWEAFQBROCQK-UHFFFAOYSA-N 0 3 316.445 3.055 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001316986532 1106856884 /nfs/dbraw/zinc/85/68/84/1106856884.db2.gz NMLCFJFETNMTOF-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001320112218 1106879899 /nfs/dbraw/zinc/87/98/99/1106879899.db2.gz SOMHDWNCJZCTQX-KOMYPQRHSA-N 0 3 310.869 3.264 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001317003604 1106884278 /nfs/dbraw/zinc/88/42/78/1106884278.db2.gz XRJMJDRXEAZMFJ-OVUXIIJLSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccc(C)o2)CC1 ZINC001317008479 1106892064 /nfs/dbraw/zinc/89/20/64/1106892064.db2.gz WLBNFXDMKMFRIP-UHFFFAOYSA-N 0 3 304.434 3.481 20 30 DGEDHN C#CCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)CC1CC1 ZINC001320135842 1106894014 /nfs/dbraw/zinc/89/40/14/1106894014.db2.gz TXQMRBULYUQEOW-UHFFFAOYSA-N 0 3 307.393 3.127 20 30 DGEDHN CC(C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1)=C1CCC1 ZINC001317014010 1106900394 /nfs/dbraw/zinc/90/03/94/1106900394.db2.gz RADIDKHXIYNHGP-FQEVSTJZSA-N 0 3 322.452 3.023 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC001320151961 1106903260 /nfs/dbraw/zinc/90/32/60/1106903260.db2.gz JYXJAPVLOJUPBD-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001320208215 1106928717 /nfs/dbraw/zinc/92/87/17/1106928717.db2.gz GXOMYHXKQDSANV-AWEZNQCLSA-N 0 3 301.308 3.362 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1csnc1C ZINC001317044700 1106943885 /nfs/dbraw/zinc/94/38/85/1106943885.db2.gz KBQYIMAXEHUOGD-YUELXQCFSA-N 0 3 319.474 3.095 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)OC ZINC001317048060 1106949894 /nfs/dbraw/zinc/94/98/94/1106949894.db2.gz CRKYXQNAILBTTI-ZJPYXAASSA-N 0 3 322.493 3.077 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001317112958 1107008607 /nfs/dbraw/zinc/00/86/07/1107008607.db2.gz UYHBZWURBWQNBG-TXEJJXNPSA-N 0 3 312.866 3.495 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C)cccc1Cl ZINC001320541812 1107047954 /nfs/dbraw/zinc/04/79/54/1107047954.db2.gz AMOAOHDPIQCJRS-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccc(F)c(F)c1 ZINC001317172254 1107083291 /nfs/dbraw/zinc/08/32/91/1107083291.db2.gz BAZOHQKRHLPVOO-HNNXBMFYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001317175501 1107093393 /nfs/dbraw/zinc/09/33/93/1107093393.db2.gz CRGZITZHZDAGPZ-JKSUJKDBSA-N 0 3 304.434 3.238 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC(C)C ZINC001317210234 1107131115 /nfs/dbraw/zinc/13/11/15/1107131115.db2.gz WKKJKRZWEPBGOT-ZWKOTPCHSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1c(C)nsc1C ZINC001320811124 1107146206 /nfs/dbraw/zinc/14/62/06/1107146206.db2.gz JVCUIUMJISMIKZ-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C[C@H](CNC(=O)C#CC1CC1)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001317238476 1107163705 /nfs/dbraw/zinc/16/37/05/1107163705.db2.gz JMWIQSFWAXGWMH-NEPJUHHUSA-N 0 3 322.811 3.048 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1cccc(F)c1 ZINC001320855302 1107164480 /nfs/dbraw/zinc/16/44/80/1107164480.db2.gz VXDHOARQUJUTSK-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001317243622 1107169029 /nfs/dbraw/zinc/16/90/29/1107169029.db2.gz BXHRUDIQWQOEOR-PXAZEXFGSA-N 0 3 322.399 3.403 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001321183584 1107277610 /nfs/dbraw/zinc/27/76/10/1107277610.db2.gz DALUKDKTJUVNMI-VOTSOKGWSA-N 0 3 304.409 3.108 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C\CNCc2cccc(C#N)c2)CC1 ZINC001321234471 1107296415 /nfs/dbraw/zinc/29/64/15/1107296415.db2.gz XLRSIDQZNJGRRR-IHWYPQMZSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001317396153 1107313299 /nfs/dbraw/zinc/31/32/99/1107313299.db2.gz VSMIAEFGLQUQRN-AWEZNQCLSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001317397855 1107313818 /nfs/dbraw/zinc/31/38/18/1107313818.db2.gz NMTOUPYKMFHILZ-NWDGAFQWSA-N 0 3 319.287 3.062 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2ccc(Cl)nc2)CCC1 ZINC001321637734 1107400933 /nfs/dbraw/zinc/40/09/33/1107400933.db2.gz TYUQMSHEIRZAPD-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCCCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001317458355 1107408809 /nfs/dbraw/zinc/40/88/09/1107408809.db2.gz BZCUSMXJBWYKCV-KRWDZBQOSA-N 0 3 304.409 3.217 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C(F)F)cc1F ZINC001317465487 1107420494 /nfs/dbraw/zinc/42/04/94/1107420494.db2.gz ASIAUELDRSJDOG-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN CCN(C/C=C/c1ccccc1)CCNC(=O)C#CC(C)(C)C ZINC001317480575 1107434980 /nfs/dbraw/zinc/43/49/80/1107434980.db2.gz UUMNFJVNIGHKIK-FMIVXFBMSA-N 0 3 312.457 3.187 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc(OC)c(C)c1 ZINC001317498331 1107457671 /nfs/dbraw/zinc/45/76/71/1107457671.db2.gz VPXRUCFSGQHKGD-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001321946285 1107468639 /nfs/dbraw/zinc/46/86/39/1107468639.db2.gz FLUNYUACHOXXLG-HNNXBMFYSA-N 0 3 318.461 3.200 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001317528778 1107490745 /nfs/dbraw/zinc/49/07/45/1107490745.db2.gz TYPJCFGDXOVKFE-HNNXBMFYSA-N 0 3 320.864 3.490 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001322120624 1107525521 /nfs/dbraw/zinc/52/55/21/1107525521.db2.gz IWYUKBLLFAWXMW-OAHLLOKOSA-N 0 3 300.446 3.078 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2ccc(C)cc2[nH]1)C1CC1 ZINC001317555496 1107532325 /nfs/dbraw/zinc/53/23/25/1107532325.db2.gz VRHBITGNEWOOQV-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)=C1CCCC1)c1ccccc1 ZINC001317714796 1107617693 /nfs/dbraw/zinc/61/76/93/1107617693.db2.gz ISGYZPGQVNRQHN-LJQANCHMSA-N 0 3 310.441 3.347 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CC[C@H]1CCc2ccccc21 ZINC001322306591 1107624142 /nfs/dbraw/zinc/62/41/42/1107624142.db2.gz MQSXLIMRFKOOAV-NVXWUHKLSA-N 0 3 300.446 3.119 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001317749093 1107633724 /nfs/dbraw/zinc/63/37/24/1107633724.db2.gz CZCBZTRBALTSTB-INIZCTEOSA-N 0 3 306.475 3.180 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001317758927 1107644833 /nfs/dbraw/zinc/64/48/33/1107644833.db2.gz MGTIKUFKFHVNEJ-HXUWFJFHSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001317770872 1107656351 /nfs/dbraw/zinc/65/63/51/1107656351.db2.gz WPLWVUWOGSDUKA-FUHWJXTLSA-N 0 3 315.461 3.074 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(CF)cc2)C1 ZINC001317773271 1107658441 /nfs/dbraw/zinc/65/84/41/1107658441.db2.gz PTICQTPZOUAUQW-GOSISDBHSA-N 0 3 316.420 3.106 20 30 DGEDHN C=CCCC(=O)N(C)CCCN[C@H](C)c1cc(F)ccc1F ZINC001322439067 1107672931 /nfs/dbraw/zinc/67/29/31/1107672931.db2.gz ASDVUZWLQCZDSO-CYBMUJFWSA-N 0 3 310.388 3.430 20 30 DGEDHN C[C@H](C(=O)N(C)CCCNCc1ccccc1C#N)C(C)(C)C ZINC001322570546 1107708516 /nfs/dbraw/zinc/70/85/16/1107708516.db2.gz QNNMNBBFXBVNMT-OAHLLOKOSA-N 0 3 315.461 3.179 20 30 DGEDHN C#CCCCC(=O)N(Cc1ccccc1)[C@@H]1CCCN(CC)C1 ZINC001317864743 1107720023 /nfs/dbraw/zinc/72/00/23/1107720023.db2.gz WZBUUIRULHYJOT-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001322661481 1107728435 /nfs/dbraw/zinc/72/84/35/1107728435.db2.gz FUOSHERCUYVTIS-LBPRGKRZSA-N 0 3 308.800 3.003 20 30 DGEDHN CC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC001262575371 1107729255 /nfs/dbraw/zinc/72/92/55/1107729255.db2.gz OQVJZWJYSWLLOZ-INIZCTEOSA-N 0 3 308.385 3.023 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001322791693 1107756768 /nfs/dbraw/zinc/75/67/68/1107756768.db2.gz CZZLFIALFZWDMC-NSHDSACASA-N 0 3 314.779 3.156 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ncc(C)s2)[C@@H](CC)C1 ZINC001323129558 1107846015 /nfs/dbraw/zinc/84/60/15/1107846015.db2.gz MFISWVXQVPISKV-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001318140656 1107858757 /nfs/dbraw/zinc/85/87/57/1107858757.db2.gz VWFKBOSTNMRZJI-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001318192459 1107889064 /nfs/dbraw/zinc/88/90/64/1107889064.db2.gz AHBOVLDACFBSPU-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC(C)C)CCC1 ZINC001318205100 1107897270 /nfs/dbraw/zinc/89/72/70/1107897270.db2.gz BEWHLGKLMSDAOJ-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1CCN1CC1CCC(C)(C)CC1 ZINC001323234104 1107897366 /nfs/dbraw/zinc/89/73/66/1107897366.db2.gz YBBDTNYOWOVGNL-QGZVFWFLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001323245514 1107902966 /nfs/dbraw/zinc/90/29/66/1107902966.db2.gz GHNYUEZTNSMLGO-SFHVURJKSA-N 0 3 312.457 3.166 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cccc1 ZINC001318220429 1107905309 /nfs/dbraw/zinc/90/53/09/1107905309.db2.gz WSZKGELOYHDDSF-ROUUACIJSA-N 0 3 317.477 3.134 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001323259008 1107905530 /nfs/dbraw/zinc/90/55/30/1107905530.db2.gz PAYZIEHSWQPSBC-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001318257274 1107916414 /nfs/dbraw/zinc/91/64/14/1107916414.db2.gz KHKJBSCBDCWWHJ-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001318273712 1107923813 /nfs/dbraw/zinc/92/38/13/1107923813.db2.gz VVNRJBSQELKIKC-CABCVRRESA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001263100698 1107945387 /nfs/dbraw/zinc/94/53/87/1107945387.db2.gz VGMDAKBNVCZRNH-NEPJUHHUSA-N 0 3 309.479 3.301 20 30 DGEDHN N#CC(=C([O-])c1cn2c(n1)CCCC2)c1ccc2ccccc2n1 ZINC001263137315 1107956605 /nfs/dbraw/zinc/95/66/05/1107956605.db2.gz BUEJMPPXZSQMAB-AWEZNQCLSA-N 0 3 316.364 3.258 20 30 DGEDHN N#CC(C(=O)c1cn2c(n1)CCCC2)c1ccc2ccccc2n1 ZINC001263137315 1107956609 /nfs/dbraw/zinc/95/66/09/1107956609.db2.gz BUEJMPPXZSQMAB-AWEZNQCLSA-N 0 3 316.364 3.258 20 30 DGEDHN CC(C)c1noc(CCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC001323621723 1108031107 /nfs/dbraw/zinc/03/11/07/1108031107.db2.gz PPPYTIKHBFMZPT-NSHDSACASA-N 0 3 302.353 3.097 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001318474218 1108034001 /nfs/dbraw/zinc/03/40/01/1108034001.db2.gz SVHPWLFSNKHMCN-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN(Cc2ccccc2C)C1 ZINC001318471170 1108034654 /nfs/dbraw/zinc/03/46/54/1108034654.db2.gz QRIYIUGFWOGIQQ-IBGZPJMESA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2cccc(C)c2)C1 ZINC001318477284 1108038808 /nfs/dbraw/zinc/03/88/08/1108038808.db2.gz DLKZFCJJCCZSEH-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cccc(F)c2F)C1 ZINC001318482861 1108044801 /nfs/dbraw/zinc/04/48/01/1108044801.db2.gz MZJCGZNQHCXRKW-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC001323727512 1108067658 /nfs/dbraw/zinc/06/76/58/1108067658.db2.gz GOPJCCCWTWSROL-INIZCTEOSA-N 0 3 313.397 3.187 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001323736835 1108072848 /nfs/dbraw/zinc/07/28/48/1108072848.db2.gz USPZRGQAYYBFTD-MRXNPFEDSA-N 0 3 322.880 3.242 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC001323786822 1108081924 /nfs/dbraw/zinc/08/19/24/1108081924.db2.gz YXVGTTKFQIAADW-FQEVSTJZSA-N 0 3 324.424 3.438 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001263616942 1108111811 /nfs/dbraw/zinc/11/18/11/1108111811.db2.gz OFOYAJHDSDCFKC-JHJVBQTASA-N 0 3 315.323 3.161 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCC(F)(F)C2)CCCC1 ZINC001318636980 1108134384 /nfs/dbraw/zinc/13/43/84/1108134384.db2.gz PGBMFFNESVTVGR-LBPRGKRZSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CCCC1 ZINC001318645817 1108137615 /nfs/dbraw/zinc/13/76/15/1108137615.db2.gz HVGQWXILMPIUCO-ZIAGYGMSSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C)c(F)c1)C1CC1 ZINC001318708561 1108161106 /nfs/dbraw/zinc/16/11/06/1108161106.db2.gz YYXIQRHGURFTNL-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)c1ccc(C)o1)C1CC1 ZINC001318715877 1108165204 /nfs/dbraw/zinc/16/52/04/1108165204.db2.gz AAGTYOXJJMRWPW-CXAGYDPISA-N 0 3 324.852 3.319 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001318720375 1108167325 /nfs/dbraw/zinc/16/73/25/1108167325.db2.gz SBNHMWVEUKQYSW-UXLLHSPISA-N 0 3 310.869 3.050 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1ncccc1C ZINC001324169591 1108197207 /nfs/dbraw/zinc/19/72/07/1108197207.db2.gz YKFDNTCTEJBVQF-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001263817397 1108227255 /nfs/dbraw/zinc/22/72/55/1108227255.db2.gz UZXFUPIUBKNXAI-CABCVRRESA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001263818836 1108230481 /nfs/dbraw/zinc/23/04/81/1108230481.db2.gz HMECKCHVECSQMF-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN N#Cc1csc(CNCc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001318909825 1108234869 /nfs/dbraw/zinc/23/48/69/1108234869.db2.gz LABPLPGMRGVORF-UHFFFAOYSA-N 0 3 311.410 3.258 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(C)CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001324301535 1108242948 /nfs/dbraw/zinc/24/29/48/1108242948.db2.gz MMPLJOANJYNRFS-KGLIPLIRSA-N 0 3 317.408 3.017 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001263841992 1108249792 /nfs/dbraw/zinc/24/97/92/1108249792.db2.gz BKQWESAAXXSUOO-UPJWGTAASA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001324413344 1108279078 /nfs/dbraw/zinc/27/90/78/1108279078.db2.gz LEIZMVUJYWPSIK-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001324413343 1108279192 /nfs/dbraw/zinc/27/91/92/1108279192.db2.gz LEIZMVUJYWPSIK-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CN[C@@H](C)c1ccccc1F ZINC001319065419 1108298272 /nfs/dbraw/zinc/29/82/72/1108298272.db2.gz CMMJXHYMDBWETJ-JKSUJKDBSA-N 0 3 316.420 3.127 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC(C)=C(C)C)C(C)(C)[C@H]21 ZINC001264029590 1108344097 /nfs/dbraw/zinc/34/40/97/1108344097.db2.gz GPJHNZICYXVHIY-NEWSRXKRSA-N 0 3 316.489 3.361 20 30 DGEDHN C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001264112841 1108376533 /nfs/dbraw/zinc/37/65/33/1108376533.db2.gz LJEOEGXIUHTYJX-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1ccncc1Cl ZINC001319241852 1108382123 /nfs/dbraw/zinc/38/21/23/1108382123.db2.gz KTCCXBPMHLURSW-ZDUSSCGKSA-N 0 3 323.868 3.179 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001324646551 1108398219 /nfs/dbraw/zinc/39/82/19/1108398219.db2.gz INYRVSCJNWKXLB-BEFAXECRSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2cccs2)[C@H]1C ZINC001264172329 1108410738 /nfs/dbraw/zinc/41/07/38/1108410738.db2.gz VKAGWUJOXWMOPU-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001324671393 1108416360 /nfs/dbraw/zinc/41/63/60/1108416360.db2.gz DHPKOXHJCKKKRH-FXAWDEMLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cnc(C)o2)CC(C)(C)C1 ZINC001264193208 1108428553 /nfs/dbraw/zinc/42/85/53/1108428553.db2.gz MWUXDCQOSRSERV-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1cccs1 ZINC001264373467 1108485774 /nfs/dbraw/zinc/48/57/74/1108485774.db2.gz VVAOXOIWMUMUGZ-CABCVRRESA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccs1 ZINC001264373472 1108486589 /nfs/dbraw/zinc/48/65/89/1108486589.db2.gz VVAOXOIWMUMUGZ-LSDHHAIUSA-N 0 3 306.475 3.351 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001319514229 1108501543 /nfs/dbraw/zinc/50/15/43/1108501543.db2.gz JDVVPFONTGVVRU-UONOGXRCSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001324937267 1108522781 /nfs/dbraw/zinc/52/27/81/1108522781.db2.gz STJYAMCFPDTMSK-PKOBYXMFSA-N 0 3 316.489 3.198 20 30 DGEDHN N#CCCOCCN1CCC(Nc2ccccc2Cl)CC1 ZINC001324941651 1108525116 /nfs/dbraw/zinc/52/51/16/1108525116.db2.gz ULUAYDQXIMTBQQ-UHFFFAOYSA-N 0 3 307.825 3.147 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001324957236 1108535182 /nfs/dbraw/zinc/53/51/82/1108535182.db2.gz JPVNWYYOWBXZIX-IBGZPJMESA-N 0 3 311.429 3.186 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001324975703 1108545558 /nfs/dbraw/zinc/54/55/58/1108545558.db2.gz IEDMAUNVFIPIBQ-IBGZPJMESA-N 0 3 318.436 3.460 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cccnc2)CCCC1 ZINC001319597507 1108545720 /nfs/dbraw/zinc/54/57/20/1108545720.db2.gz SZSLROBEPCZBGC-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001324976577 1108546415 /nfs/dbraw/zinc/54/64/15/1108546415.db2.gz NFCUASZQYSBHJV-QGZVFWFLSA-N 0 3 323.868 3.179 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cncc3ccccc32)C1 ZINC001324980041 1108548438 /nfs/dbraw/zinc/54/84/38/1108548438.db2.gz ZXMVATAZQOGAJT-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001264658544 1108604357 /nfs/dbraw/zinc/60/43/57/1108604357.db2.gz PSXSRDSRCBTWMY-MJGOQNOKSA-N 0 3 318.505 3.108 20 30 DGEDHN C[C@H]1C[C@@H]1C(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001264679595 1108615002 /nfs/dbraw/zinc/61/50/02/1108615002.db2.gz HXQXGNLHXFHFMM-SXLOBPIMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@@H](C)SC ZINC001319740773 1108618338 /nfs/dbraw/zinc/61/83/38/1108618338.db2.gz KHNYFZORHKYPHH-KGLIPLIRSA-N 0 3 318.914 3.241 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)cc1 ZINC001264694400 1108623181 /nfs/dbraw/zinc/62/31/81/1108623181.db2.gz DBTJJLPRSIQQKW-DAYGRLMNSA-N 0 3 313.445 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001319768160 1108628670 /nfs/dbraw/zinc/62/86/70/1108628670.db2.gz CKZXCWUGCBGKLR-JJXSEGSLSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)[C@H]1C ZINC001264721725 1108631985 /nfs/dbraw/zinc/63/19/85/1108631985.db2.gz RVUATIBQJMMPPC-NEWSRXKRSA-N 0 3 314.473 3.410 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccc(F)c1 ZINC001264745336 1108643153 /nfs/dbraw/zinc/64/31/53/1108643153.db2.gz BHDPDYJXEFZHDV-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001264744255 1108643515 /nfs/dbraw/zinc/64/35/15/1108643515.db2.gz PHTIJTHXQTVELN-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001319838762 1108659356 /nfs/dbraw/zinc/65/93/56/1108659356.db2.gz TUAHGQIQSDEFSX-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001264984480 1108691864 /nfs/dbraw/zinc/69/18/64/1108691864.db2.gz MSTSBBYBMRQYPE-UHFFFAOYSA-N 0 3 306.425 3.318 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1ccccc1C)C(C)C ZINC001319945998 1108707978 /nfs/dbraw/zinc/70/79/78/1108707978.db2.gz CNQFPQLBAPIJBQ-KRWDZBQOSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001265079590 1108723030 /nfs/dbraw/zinc/72/30/30/1108723030.db2.gz KRUPQVLFGSGHBO-AZUAARDMSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCc1ccoc1 ZINC001265084089 1108726947 /nfs/dbraw/zinc/72/69/47/1108726947.db2.gz XFIIWFKEERBTCI-ZBFHGGJFSA-N 0 3 324.852 3.324 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1cncc(C)c1 ZINC001265126189 1108742013 /nfs/dbraw/zinc/74/20/13/1108742013.db2.gz MMUUOOPSKAHXRT-UHFFFAOYSA-N 0 3 317.477 3.321 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCC[C@H]1CCC)C1CC1 ZINC001265167647 1108757731 /nfs/dbraw/zinc/75/77/31/1108757731.db2.gz WWPMTASWYDEVIR-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H](C)c1ccc(Cl)s1)C1CC1 ZINC001265179629 1108760753 /nfs/dbraw/zinc/76/07/53/1108760753.db2.gz GIWSFCVFCNDPJA-LBPRGKRZSA-N 0 3 324.877 3.109 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@H](C)c2ccccc2F)CC1 ZINC001265199307 1108770811 /nfs/dbraw/zinc/77/08/11/1108770811.db2.gz RWRXIMOXFHASAF-HNNXBMFYSA-N 0 3 318.436 3.428 20 30 DGEDHN Cc1cccc([C@@H](C)N2CCC[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001265213505 1108781525 /nfs/dbraw/zinc/78/15/25/1108781525.db2.gz SZXKHUWYKIARCN-MJGOQNOKSA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001265303844 1108816098 /nfs/dbraw/zinc/81/60/98/1108816098.db2.gz QDIHJQSNFWWOLZ-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001265306202 1108816747 /nfs/dbraw/zinc/81/67/47/1108816747.db2.gz LCOFKAVTRBRSOV-WMZOPIPTSA-N 0 3 312.457 3.467 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCN(CC=C(C)C)C2)CCCCC1 ZINC001265319755 1108826397 /nfs/dbraw/zinc/82/63/97/1108826397.db2.gz QUTKSDARYFAWDM-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](CC)CCCC)CC1 ZINC001265323904 1108827425 /nfs/dbraw/zinc/82/74/25/1108827425.db2.gz PIIIXBDBJBMJKA-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001265333887 1108830627 /nfs/dbraw/zinc/83/06/27/1108830627.db2.gz GCAREMZQTIJROG-QZTJIDSGSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2c[nH]cc2C)CC1 ZINC001265344476 1108836575 /nfs/dbraw/zinc/83/65/75/1108836575.db2.gz YHYNKNLRRSQHDO-UHFFFAOYSA-N 0 3 303.450 3.216 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C(F)(F)F ZINC001265411882 1108866429 /nfs/dbraw/zinc/86/64/29/1108866429.db2.gz VBXDWGKPDRNSLH-MELADBBJSA-N 0 3 318.383 3.216 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2sc(C)nc2C)C1 ZINC001265442991 1108873233 /nfs/dbraw/zinc/87/32/33/1108873233.db2.gz MHWJWBXUIMIBDP-GJZGRUSLSA-N 0 3 321.490 3.053 20 30 DGEDHN CC(C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)=C1CCCC1 ZINC001265472670 1108884078 /nfs/dbraw/zinc/88/40/78/1108884078.db2.gz YTWZZOCUIWBFTE-MXVIHJGJSA-N 0 3 322.452 3.165 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](C)CCCCC)C1 ZINC001265593344 1108926417 /nfs/dbraw/zinc/92/64/17/1108926417.db2.gz VBXZNOZEDLNXPE-MSOLQXFVSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001265619867 1108935235 /nfs/dbraw/zinc/93/52/35/1108935235.db2.gz VUNVTXNQKZAXET-OEMOTLHWSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCN1Cc1ccc(C)cc1 ZINC001265641516 1108944515 /nfs/dbraw/zinc/94/45/15/1108944515.db2.gz YMILWNBSOXULFV-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001265663019 1108956436 /nfs/dbraw/zinc/95/64/36/1108956436.db2.gz BVYVDVGECYZNML-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(CC)(CC)CC)C1 ZINC001265707483 1108977299 /nfs/dbraw/zinc/97/72/99/1108977299.db2.gz BBULNOMZTUAZFS-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC(C2CC2)C2CC2)C1 ZINC001265708737 1108979398 /nfs/dbraw/zinc/97/93/98/1108979398.db2.gz SKXCILZXLBNDKC-MAUKXSAKSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001265720689 1108980942 /nfs/dbraw/zinc/98/09/42/1108980942.db2.gz PVZDOVVESLVCRI-YSPZIRKPSA-N 0 3 324.468 3.349 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001265987714 1109057245 /nfs/dbraw/zinc/05/72/45/1109057245.db2.gz DWIQSZWBUOIKBL-OLZOCXBDSA-N 0 3 312.866 3.473 20 30 DGEDHN CCN(CCCNC(=O)[C@H](C)C#N)[C@H](C)c1ccc(F)cc1F ZINC001266027951 1109067319 /nfs/dbraw/zinc/06/73/19/1109067319.db2.gz DFLCUZUAZWUKKL-CHWSQXEVSA-N 0 3 323.387 3.014 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1ccc(CCNCC(=C)Cl)cc1 ZINC001266085225 1109084651 /nfs/dbraw/zinc/08/46/51/1109084651.db2.gz XYENYEXGKPRUHL-UHFFFAOYSA-N 0 3 320.864 3.400 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2C(C)C)C1 ZINC001266103457 1109090396 /nfs/dbraw/zinc/09/03/96/1109090396.db2.gz QXGIYZOYIWSTQT-QGZVFWFLSA-N 0 3 312.457 3.370 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C/C=C\Cc2ccccc2)C1 ZINC001266103505 1109090682 /nfs/dbraw/zinc/09/06/82/1109090682.db2.gz RQSURJLPQYIHQM-ZTBDEIDFSA-N 0 3 324.468 3.122 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc(C)c(C)cc1Cl)C1CC1 ZINC001266151920 1109108781 /nfs/dbraw/zinc/10/87/81/1109108781.db2.gz JSOKNZGKPUOPGY-UHFFFAOYSA-N 0 3 318.848 3.174 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCCCC1(C)C ZINC001266191418 1109121237 /nfs/dbraw/zinc/12/12/37/1109121237.db2.gz BXARQQIDLYNDMK-ZIAGYGMSSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCCc2cccs2)CC1 ZINC001266195186 1109123303 /nfs/dbraw/zinc/12/33/03/1109123303.db2.gz PCCOOYYAEUQEET-UHFFFAOYSA-N 0 3 306.475 3.180 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001266215763 1109129782 /nfs/dbraw/zinc/12/97/82/1109129782.db2.gz NFKFEEYHBGVUKZ-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC001266233912 1109134725 /nfs/dbraw/zinc/13/47/25/1109134725.db2.gz UCAQRHUPSQGMLI-WMZOPIPTSA-N 0 3 312.457 3.467 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H](C)CC(C)C)[C@@H]2C1 ZINC001279624598 1109158376 /nfs/dbraw/zinc/15/83/76/1109158376.db2.gz NAGJBXJCALHWDG-FGTMMUONSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCCc3ccccc3)[C@@H]2C1 ZINC001279624681 1109158634 /nfs/dbraw/zinc/15/86/34/1109158634.db2.gz PZANYOVGYQCNCK-RBUKOAKNSA-N 0 3 312.457 3.118 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC001316599777 1109167291 /nfs/dbraw/zinc/16/72/91/1109167291.db2.gz FJYSLFVKIAZOPY-HNNXBMFYSA-N 0 3 309.429 3.271 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001280165359 1109178043 /nfs/dbraw/zinc/17/80/43/1109178043.db2.gz WIWFEXROYJZXFA-AWEZNQCLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001280197443 1109179772 /nfs/dbraw/zinc/17/97/72/1109179772.db2.gz HYZRWOFFHKOYFZ-GFCCVEGCSA-N 0 3 320.811 3.003 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C/C=C(/C)C=C ZINC001280333462 1109186952 /nfs/dbraw/zinc/18/69/52/1109186952.db2.gz LPYBIJYGQUHROO-ATVHPVEESA-N 0 3 310.441 3.280 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C)[nH]c1C ZINC001280333677 1109187051 /nfs/dbraw/zinc/18/70/51/1109187051.db2.gz NCCIKNCWARXNJQ-UHFFFAOYSA-N 0 3 311.429 3.179 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1 ZINC001280354937 1109189394 /nfs/dbraw/zinc/18/93/94/1109189394.db2.gz WJBMJRRYIUONGJ-MAUKXSAKSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCCC(C)C)cc1 ZINC001280353825 1109189477 /nfs/dbraw/zinc/18/94/77/1109189477.db2.gz BWLALCZZRAEWQM-MRXNPFEDSA-N 0 3 300.446 3.413 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCN(C)CCc1ccns1 ZINC001280848724 1109262286 /nfs/dbraw/zinc/26/22/86/1109262286.db2.gz RSIXDQJMQKBTHV-UHFFFAOYSA-N 0 3 323.506 3.068 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001281072151 1109299110 /nfs/dbraw/zinc/29/91/10/1109299110.db2.gz NFMAFTLWQRRFPD-SFHVURJKSA-N 0 3 300.446 3.294 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(CC)CCCC2)C(C)(C)C1 ZINC001281570812 1109382259 /nfs/dbraw/zinc/38/22/59/1109382259.db2.gz DKTGVXNDXBCGQK-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1cccc(C)c1 ZINC001281955932 1109421804 /nfs/dbraw/zinc/42/18/04/1109421804.db2.gz SGKYTVQMEFQTDQ-SJLPKXTDSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccccc1-n1cccc1 ZINC001281956197 1109421925 /nfs/dbraw/zinc/42/19/25/1109421925.db2.gz BTCPJQPIHPNFDA-QGZVFWFLSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1Cc2c1cccc2Cl ZINC001281967528 1109424608 /nfs/dbraw/zinc/42/46/08/1109424608.db2.gz HWRWSWWRRKLOIY-BBRMVZONSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC001281969944 1109425462 /nfs/dbraw/zinc/42/54/62/1109425462.db2.gz RFVIDBQCDJPELY-AWEZNQCLSA-N 0 3 304.459 3.348 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@H](C)NCc1cc2ccccc2o1 ZINC001282129818 1109455061 /nfs/dbraw/zinc/45/50/61/1109455061.db2.gz VDFKNKJSHDUMNP-LSDHHAIUSA-N 0 3 312.413 3.075 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccccc2CC)C1 ZINC001316617501 1109455362 /nfs/dbraw/zinc/45/53/62/1109455362.db2.gz JMUMLAGOQKDTDT-KDYLLFBJSA-N 0 3 320.864 3.028 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NCc2cc(C)ns2)CC1 ZINC001282182074 1109464192 /nfs/dbraw/zinc/46/41/92/1109464192.db2.gz CQABLUDJESZOTH-KGLIPLIRSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001282185505 1109465490 /nfs/dbraw/zinc/46/54/90/1109465490.db2.gz OLAWNYSDDUSECE-HUUCEWRRSA-N 0 3 306.425 3.473 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)nc(C)c1 ZINC001282294973 1109480746 /nfs/dbraw/zinc/48/07/46/1109480746.db2.gz JTEQDWFCPZQXFV-UHFFFAOYSA-N 0 3 323.868 3.139 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(Cl)sc1Cl ZINC001282397371 1109502436 /nfs/dbraw/zinc/50/24/36/1109502436.db2.gz DSFKZPAODKKVQK-QMMMGPOBSA-N 0 3 307.246 3.291 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(-c2ccco2)s1 ZINC001282479639 1109522631 /nfs/dbraw/zinc/52/26/31/1109522631.db2.gz YUMHVPAYJVBWEI-GFCCVEGCSA-N 0 3 304.415 3.244 20 30 DGEDHN C=CCCC[NH2+]CC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001282598664 1109535225 /nfs/dbraw/zinc/53/52/25/1109535225.db2.gz ZIGNKWJNMURYRF-UHFFFAOYSA-N 0 3 316.445 3.381 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001282724356 1109556921 /nfs/dbraw/zinc/55/69/21/1109556921.db2.gz GFSGMRPVQGYTNX-RGDDUWESSA-N 0 3 316.420 3.242 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CN(CCOCC(C)C)CC1(C)C ZINC001282812388 1109569285 /nfs/dbraw/zinc/56/92/85/1109569285.db2.gz VJSDTICSVVWZBE-INIZCTEOSA-N 0 3 324.509 3.088 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC=C)CCCCC2)C(C)(C)C1 ZINC001282834807 1109573729 /nfs/dbraw/zinc/57/37/29/1109573729.db2.gz WHSZLPGJUSXCFC-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2n(c1)CCCC2 ZINC001283284519 1109609297 /nfs/dbraw/zinc/60/92/97/1109609297.db2.gz ZNAOXWPXKGBFIV-CQSZACIVSA-N 0 3 323.868 3.065 20 30 DGEDHN C=C(C)CC[NH2+][C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001283434196 1109632348 /nfs/dbraw/zinc/63/23/48/1109632348.db2.gz XMSJMPHGABDNKS-MRXNPFEDSA-N 0 3 304.434 3.093 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(C)cc1Cl ZINC001283606340 1109660025 /nfs/dbraw/zinc/66/00/25/1109660025.db2.gz PRTXACZKKBMABR-OAHLLOKOSA-N 0 3 320.864 3.388 20 30 DGEDHN C#CCCCCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283650877 1109666389 /nfs/dbraw/zinc/66/63/89/1109666389.db2.gz AAGNMQMZRFFKTN-LJQANCHMSA-N 0 3 324.468 3.058 20 30 DGEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CCC1CCC1 ZINC001283966404 1109707174 /nfs/dbraw/zinc/70/71/74/1109707174.db2.gz TXWWTGFBYIGHBV-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001283964916 1109707191 /nfs/dbraw/zinc/70/71/91/1109707191.db2.gz AETGJVOZKUDEHR-WBVHZDCISA-N 0 3 324.424 3.315 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC001284019338 1109716576 /nfs/dbraw/zinc/71/65/76/1109716576.db2.gz YDFAADOSZOCORN-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001284127616 1109742308 /nfs/dbraw/zinc/74/23/08/1109742308.db2.gz CHRFYIUMVWEBRY-WBVHZDCISA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCF)[C@@H]2C)CCCC1 ZINC001284147837 1109748849 /nfs/dbraw/zinc/74/88/49/1109748849.db2.gz AREYHAVADAGJIH-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccc(F)cc1F)C(C)C ZINC001284532948 1109806119 /nfs/dbraw/zinc/80/61/19/1109806119.db2.gz BCTPVKVTCCBCHV-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN CC(C)C#CC(=O)N(CCN(C)CCc1ccccc1)C(C)C ZINC001284532926 1109806203 /nfs/dbraw/zinc/80/62/03/1109806203.db2.gz AJLCHZCZABWGQN-UHFFFAOYSA-N 0 3 314.473 3.057 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NCc2ncccc2C)C1 ZINC001284789916 1109860784 /nfs/dbraw/zinc/86/07/84/1109860784.db2.gz KHRBICFBPDMXBJ-RJYAGPCLSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C#CC(C)(C)C ZINC001316683054 1111108212 /nfs/dbraw/zinc/10/82/12/1111108212.db2.gz ZVEKJMRYLFCFTN-ZBFHGGJFSA-N 0 3 324.896 3.395 20 30 DGEDHN Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)ncc1C#N ZINC001307076172 1111263266 /nfs/dbraw/zinc/26/32/66/1111263266.db2.gz DSZRCWYYAODQJD-HNNXBMFYSA-N 0 3 321.428 3.294 20 30 DGEDHN N#Cc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001307875120 1111349397 /nfs/dbraw/zinc/34/93/97/1111349397.db2.gz WBQFBHFOEFQYOF-LRDDRELGSA-N 0 3 317.820 3.415 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C2CCC2)C1 ZINC001307947362 1111358755 /nfs/dbraw/zinc/35/87/55/1111358755.db2.gz PSRGCAAHZFOYQL-PBHICJAKSA-N 0 3 311.429 3.397 20 30 DGEDHN CCC#C[C@@H](C)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001308073225 1111374716 /nfs/dbraw/zinc/37/47/16/1111374716.db2.gz DWLYNLQBUPWWML-DJIMGWMZSA-N 0 3 324.390 3.441 20 30 DGEDHN C=CCC[C@@H]1CCCN1Cc1csc(-c2ccn(C)n2)n1 ZINC001308137683 1111383050 /nfs/dbraw/zinc/38/30/50/1111383050.db2.gz TUCPONVJIAWEFQ-CQSZACIVSA-N 0 3 302.447 3.474 20 30 DGEDHN C[C@H]1CC[C@@](CO)(NCc2ccc(C#N)cc2)c2ccccc21 ZINC001308157651 1111387210 /nfs/dbraw/zinc/38/72/10/1111387210.db2.gz HAOUXUOALPNFCS-YWZLYKJASA-N 0 3 306.409 3.433 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 ZINC001308485684 1111434134 /nfs/dbraw/zinc/43/41/34/1111434134.db2.gz GILLUVVKRZXMKC-GJZGRUSLSA-N 0 3 317.351 3.289 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1C(C)C ZINC001317540907 1111698799 /nfs/dbraw/zinc/69/87/99/1111698799.db2.gz QZYJVRDISGXZHA-UHFFFAOYSA-N 0 3 300.446 3.275 20 30 DGEDHN CCCN(CCNC(=O)[C@H](C)CC)Cc1ccc(C#N)c(F)c1 ZINC001317539715 1111699099 /nfs/dbraw/zinc/69/90/99/1111699099.db2.gz BZVPWUJFUSYJOI-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C1CCC(CNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC001313258147 1111704659 /nfs/dbraw/zinc/70/46/59/1111704659.db2.gz JYGWUTIDWQHMKP-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)Cc2ccccc2)[C@H]1C ZINC001316795250 1111769525 /nfs/dbraw/zinc/76/95/25/1111769525.db2.gz RJPBAGWVZDMZDB-NXHRZFHOSA-N 0 3 300.446 3.020 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CC=C)CCCC2)CC(C)(C)C1 ZINC001316810015 1111776225 /nfs/dbraw/zinc/77/62/25/1111776225.db2.gz FPSPKHIFFUMWLL-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C=C)c2ccccc2)CC(C)(C)C1 ZINC001316810888 1111776298 /nfs/dbraw/zinc/77/62/98/1111776298.db2.gz KDAMSRYYSOQRMX-RTBURBONSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C)[nH]c1C ZINC001316875936 1111787923 /nfs/dbraw/zinc/78/79/23/1111787923.db2.gz GYKOVXRECRHBHV-GOEBONIOSA-N 0 3 323.868 3.357 20 30 DGEDHN C=CCOc1ccc(CN(C)CCc2cnccn2)cc1Cl ZINC000272875543 210266487 /nfs/dbraw/zinc/26/64/87/210266487.db2.gz WWIQHXAQTCKETE-UHFFFAOYSA-N 0 3 317.820 3.369 20 30 DGEDHN Cc1nc(C)c(C#N)c(SCCN(C)Cc2ccccc2)n1 ZINC000278492858 214188705 /nfs/dbraw/zinc/18/87/05/214188705.db2.gz BJOYYPFWSAKGSU-UHFFFAOYSA-N 0 3 312.442 3.189 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN2CCC(O)CC2)c1 ZINC000305734227 231031331 /nfs/dbraw/zinc/03/13/31/231031331.db2.gz PZXARCAVCIHCCL-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN C=CCN1CCC(Nc2nccc(C)c2Br)CC1 ZINC000278758502 214380108 /nfs/dbraw/zinc/38/01/08/214380108.db2.gz SPASWJBYVLGTAY-UHFFFAOYSA-N 0 3 310.239 3.215 20 30 DGEDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)CCC#N)ccc2NC1=O ZINC000351336122 529474709 /nfs/dbraw/zinc/47/47/09/529474709.db2.gz YOMSFBSQZGOCKP-ZOWXZIJZSA-N 0 3 301.390 3.139 20 30 DGEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343454286 529651651 /nfs/dbraw/zinc/65/16/51/529651651.db2.gz VHCPKFBOWIOVMG-VUGNNNGISA-N 0 3 307.482 3.284 20 30 DGEDHN CC[C@H](O)CN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000441071327 529695185 /nfs/dbraw/zinc/69/51/85/529695185.db2.gz HRRWCUNVYKHIQY-IBGZPJMESA-N 0 3 324.424 3.210 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000413815210 529718577 /nfs/dbraw/zinc/71/85/77/529718577.db2.gz PUUQYIQIQAUQBI-XSWJXKHESA-N 0 3 313.445 3.191 20 30 DGEDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000181590099 199323113 /nfs/dbraw/zinc/32/31/13/199323113.db2.gz JWWVREVFQKVREB-PBHICJAKSA-N 0 3 305.381 3.014 20 30 DGEDHN C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181659834 199334074 /nfs/dbraw/zinc/33/40/74/199334074.db2.gz RPUAZVFOWLWJNE-ZDUSSCGKSA-N 0 3 303.406 3.076 20 30 DGEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)C1CC(O)C1 ZINC000444680661 529873730 /nfs/dbraw/zinc/87/37/30/529873730.db2.gz QPULKOUTLFKTJQ-UHFFFAOYSA-N 0 3 320.436 3.341 20 30 DGEDHN CN(CCCC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000343547982 529880785 /nfs/dbraw/zinc/88/07/85/529880785.db2.gz HTUWNACLZDMHAK-UHFFFAOYSA-N 0 3 302.418 3.306 20 30 DGEDHN CN(CCNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433218900 529916412 /nfs/dbraw/zinc/91/64/12/529916412.db2.gz GHJPBDURQHKBBV-SFHVURJKSA-N 0 3 321.424 3.012 20 30 DGEDHN CN(CCNc1cc(C#N)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000302216902 529918105 /nfs/dbraw/zinc/91/81/05/529918105.db2.gz PNYUDLPLCVGBCG-UHFFFAOYSA-N 0 3 310.357 3.010 20 30 DGEDHN CN(CCNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433218899 529915958 /nfs/dbraw/zinc/91/59/58/529915958.db2.gz GHJPBDURQHKBBV-GOSISDBHSA-N 0 3 321.424 3.012 20 30 DGEDHN N#Cc1ccccc1-c1ccc(CN2CCC(CO)CC2)cc1 ZINC000103467111 432010563 /nfs/dbraw/zinc/01/05/63/432010563.db2.gz OXOQMESNDYYJIZ-UHFFFAOYSA-N 0 3 306.409 3.430 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000249357728 282457743 /nfs/dbraw/zinc/45/77/43/282457743.db2.gz ZECMUTTVDPGUEM-IFUGULHKSA-N 0 3 303.406 3.263 20 30 DGEDHN COc1ccc(COCCN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181979891 199370516 /nfs/dbraw/zinc/37/05/16/199370516.db2.gz BIIIJTZMPWCAJE-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN COc1ccccc1[C@H](CNc1cc(C#N)ccn1)N1CCCC1 ZINC000286839666 219191183 /nfs/dbraw/zinc/19/11/83/219191183.db2.gz FTQGZFRDWVVJLR-KRWDZBQOSA-N 0 3 322.412 3.211 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104706935 432016918 /nfs/dbraw/zinc/01/69/18/432016918.db2.gz ULTMKHOTNZJVGU-SFHVURJKSA-N 0 3 317.408 3.019 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104696451 432017218 /nfs/dbraw/zinc/01/72/18/432017218.db2.gz KEPVIMFPOSJNNA-BEFAXECRSA-N 0 3 313.445 3.126 20 30 DGEDHN C[C@@H](CN(C)C)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000286947688 219239179 /nfs/dbraw/zinc/23/91/79/219239179.db2.gz KKNWKNYOUBMQTQ-AWEZNQCLSA-N 0 3 323.396 3.030 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CC(C)C)CC1 ZINC000106275472 432020311 /nfs/dbraw/zinc/02/03/11/432020311.db2.gz GFCRZQCOEPXITC-KRWDZBQOSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc(C)oc2C)CC1 ZINC000106336031 432020381 /nfs/dbraw/zinc/02/03/81/432020381.db2.gz ZJCPVHLQOPCXNR-AWEZNQCLSA-N 0 3 319.449 3.297 20 30 DGEDHN C[C@H](NCCOc1ncccc1Cl)c1cccc(C#N)c1 ZINC000182016715 199374452 /nfs/dbraw/zinc/37/44/52/199374452.db2.gz REYIEESKVDSIGB-LBPRGKRZSA-N 0 3 301.777 3.336 20 30 DGEDHN C=CCCCNCc1cc(O)c(OC)cc1Br ZINC000279874998 215198111 /nfs/dbraw/zinc/19/81/11/215198111.db2.gz RBSWBQYMGQTFMC-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN C[C@@H](NCCOc1ccc(Cl)cn1)c1cccc(C#N)c1 ZINC000182017115 199375625 /nfs/dbraw/zinc/37/56/25/199375625.db2.gz PBICQGBTMQJSSG-GFCCVEGCSA-N 0 3 301.777 3.336 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)NCCn2ccnc2)cc1 ZINC000155754037 186109513 /nfs/dbraw/zinc/10/95/13/186109513.db2.gz AZRRLKUCUWPIHK-AWEZNQCLSA-N 0 3 305.809 3.365 20 30 DGEDHN N#Cc1ccc(NC(=O)CCNC2(c3cccc(F)c3)CC2)cc1 ZINC000179691760 186206536 /nfs/dbraw/zinc/20/65/36/186206536.db2.gz XUETWDJLXWYBMI-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc3ccc(C)nc32)CC1 ZINC000172062383 198033396 /nfs/dbraw/zinc/03/33/96/198033396.db2.gz KBNQVEPGEJEZHL-UHFFFAOYSA-N 0 3 324.428 3.315 20 30 DGEDHN CCCCNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000172395883 198091046 /nfs/dbraw/zinc/09/10/46/198091046.db2.gz VHGHIXPVRGWWTL-HNNXBMFYSA-N 0 3 313.445 3.248 20 30 DGEDHN C[C@@H](COc1ccc(F)cc1F)NCc1ccc(C#N)cc1 ZINC000067250462 432028757 /nfs/dbraw/zinc/02/87/57/432028757.db2.gz AITSKYQNNRZGAT-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN C=CCSCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000175763699 198507569 /nfs/dbraw/zinc/50/75/69/198507569.db2.gz ATCLZGJRQKWABS-UHFFFAOYSA-N 0 3 318.442 3.143 20 30 DGEDHN N#CC1(CCCN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCOCC1 ZINC000368092926 283043788 /nfs/dbraw/zinc/04/37/88/283043788.db2.gz OACRIGZLFZHLHG-SJORKVTESA-N 0 3 318.461 3.120 20 30 DGEDHN N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000301156565 283092387 /nfs/dbraw/zinc/09/23/87/283092387.db2.gz DHNIIFVMFLKBKU-CQSZACIVSA-N 0 3 309.335 3.252 20 30 DGEDHN N#Cc1ccc(C(=O)NC[C@H]2CCCN2C2CCCCC2)s1 ZINC000437871852 283129178 /nfs/dbraw/zinc/12/91/78/283129178.db2.gz VOOTVZBLXNFWLL-CQSZACIVSA-N 0 3 317.458 3.147 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166151309 432058838 /nfs/dbraw/zinc/05/88/38/432058838.db2.gz PHZSDDCSWFSOFZ-QWHCGFSZSA-N 0 3 302.846 3.364 20 30 DGEDHN CC(C)(CN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000179672428 432066851 /nfs/dbraw/zinc/06/68/51/432066851.db2.gz DMBOIIDZZCNUNV-UHFFFAOYSA-N 0 3 320.440 3.053 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC000133641573 432069339 /nfs/dbraw/zinc/06/93/39/432069339.db2.gz RLXVTMLKWPRVOK-CQSZACIVSA-N 0 3 321.446 3.013 20 30 DGEDHN C#CCCCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000179744758 199075084 /nfs/dbraw/zinc/07/50/84/199075084.db2.gz LTRYMNWVHURUDD-UHFFFAOYSA-N 0 3 312.457 3.003 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)o1 ZINC000180364116 199150456 /nfs/dbraw/zinc/15/04/56/199150456.db2.gz UCFVOZRADJQQBM-NSHDSACASA-N 0 3 319.767 3.312 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000180478303 199163906 /nfs/dbraw/zinc/16/39/06/199163906.db2.gz LWXKOFMMMLWJDA-CVEARBPZSA-N 0 3 315.461 3.131 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N1CCc2ccccc2C1 ZINC000421322323 237732128 /nfs/dbraw/zinc/73/21/28/237732128.db2.gz FSSOWJJDGJZSNL-HNNXBMFYSA-N 0 3 323.415 3.234 20 30 DGEDHN CN(C(=O)[C@H](N)CCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000424111762 237880851 /nfs/dbraw/zinc/88/08/51/237880851.db2.gz HOKVJHFLTVKACC-GOSISDBHSA-N 0 3 323.396 3.463 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(F)c1 ZINC000134887821 432088658 /nfs/dbraw/zinc/08/86/58/432088658.db2.gz KKVVMJKTTJOJOS-VQIMIIECSA-N 0 3 313.420 3.146 20 30 DGEDHN Cc1cccc([C@H](C)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428778475 238031235 /nfs/dbraw/zinc/03/12/35/238031235.db2.gz AEIZAEKDIPNQLB-YJBOKZPZSA-N 0 3 307.397 3.476 20 30 DGEDHN Cc1ccc([C@H](CCn2cncn2)NCC2(CC#N)CC2)cc1 ZINC000430745505 238085375 /nfs/dbraw/zinc/08/53/75/238085375.db2.gz ZOUMASMECHIUSG-KRWDZBQOSA-N 0 3 309.417 3.001 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cc(F)ccc1F ZINC000433350766 238157103 /nfs/dbraw/zinc/15/71/03/238157103.db2.gz CQNYFTIYAVYCCU-AWEZNQCLSA-N 0 3 314.335 3.354 20 30 DGEDHN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271936629 209337940 /nfs/dbraw/zinc/33/79/40/209337940.db2.gz KGVHRKDXULWWBP-UWVGGRQHSA-N 0 3 304.287 3.315 20 30 DGEDHN COC(=O)CC1(CN(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000281473110 216325395 /nfs/dbraw/zinc/32/53/95/216325395.db2.gz OIHHGGFRJURAJQ-UHFFFAOYSA-N 0 3 300.402 3.112 20 30 DGEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC[C@H]2CCCO2)c1 ZINC000442791289 239124502 /nfs/dbraw/zinc/12/45/02/239124502.db2.gz IWZNIFIEVQNYBZ-CGTJXYLNSA-N 0 3 314.429 3.335 20 30 DGEDHN C=CC(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449485062 240235646 /nfs/dbraw/zinc/23/56/46/240235646.db2.gz KQEZPXOHJGCHDI-UHFFFAOYSA-N 0 3 300.305 3.498 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000449520831 240263485 /nfs/dbraw/zinc/26/34/85/240263485.db2.gz QNGPDUKYJQTUMQ-MOPGFXCFSA-N 0 3 310.397 3.094 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCCC)c(OC)c1 ZINC000449520475 240263568 /nfs/dbraw/zinc/26/35/68/240263568.db2.gz PSTPGZHPUDOFRJ-CVEARBPZSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449555462 240284307 /nfs/dbraw/zinc/28/43/07/240284307.db2.gz QHWFHOUWCKOQNF-RYRKJORJSA-N 0 3 301.430 3.234 20 30 DGEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000451289519 241070581 /nfs/dbraw/zinc/07/05/81/241070581.db2.gz JXJQTCMTUKHDQK-LJQANCHMSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451352735 241090298 /nfs/dbraw/zinc/09/02/98/241090298.db2.gz IDUIWGPERQTOKX-ZUZCIYMTSA-N 0 3 310.800 3.211 20 30 DGEDHN CO[C@H]1C[C@@H](NCc2cc(C#N)ccc2Br)C1(C)C ZINC000451514187 241154110 /nfs/dbraw/zinc/15/41/10/241154110.db2.gz ZLNZDSYVXJWBHY-KGLIPLIRSA-N 0 3 323.234 3.224 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000451597219 241184768 /nfs/dbraw/zinc/18/47/68/241184768.db2.gz IBLAIIPOHUHRLG-XKQJLSEDSA-N 0 3 316.445 3.072 20 30 DGEDHN N#Cc1cccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1F ZINC000451624443 241193046 /nfs/dbraw/zinc/19/30/46/241193046.db2.gz FSTCASRQOOQUSP-SJORKVTESA-N 0 3 314.404 3.478 20 30 DGEDHN N#Cc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000271763412 209191824 /nfs/dbraw/zinc/19/18/24/209191824.db2.gz IHNJNDOAVHEBJR-UHFFFAOYSA-N 0 3 303.365 3.088 20 30 DGEDHN Cc1cccnc1CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000456122286 242354990 /nfs/dbraw/zinc/35/49/90/242354990.db2.gz ZNUUVNUMBZGCCM-SFHVURJKSA-N 0 3 321.424 3.211 20 30 DGEDHN Cc1cccnc1CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000456122285 242355419 /nfs/dbraw/zinc/35/54/19/242355419.db2.gz ZNUUVNUMBZGCCM-GOSISDBHSA-N 0 3 321.424 3.211 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000271756903 209186251 /nfs/dbraw/zinc/18/62/51/209186251.db2.gz YWFRMEXGVJUFFE-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN C[C@H](c1cccnc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000093234482 284010498 /nfs/dbraw/zinc/01/04/98/284010498.db2.gz NZEPNTCDYBOUQH-GFCCVEGCSA-N 0 3 314.414 3.036 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000275205188 212194430 /nfs/dbraw/zinc/19/44/30/212194430.db2.gz BNSWFLGYXYOAIX-RTBURBONSA-N 0 3 312.457 3.433 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)C2CCC2)CC1 ZINC000458315349 243028726 /nfs/dbraw/zinc/02/87/26/243028726.db2.gz FWCFXFSFZALSGT-QGZVFWFLSA-N 0 3 307.482 3.295 20 30 DGEDHN CCCN(CCN1CCCCCC1)C(=O)NCC(C)(C)CC#N ZINC000459243166 243297330 /nfs/dbraw/zinc/29/73/30/243297330.db2.gz SOQQYJKAXZPUIE-UHFFFAOYSA-N 0 3 322.497 3.224 20 30 DGEDHN CCCN(CCn1cc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000459301687 243323879 /nfs/dbraw/zinc/32/38/79/243323879.db2.gz MTAOLBXOVKFQOU-UHFFFAOYSA-N 0 3 302.809 3.320 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000459420625 243363814 /nfs/dbraw/zinc/36/38/14/243363814.db2.gz YHDOAVGEVDEVPU-OIISXLGYSA-N 0 3 307.459 3.250 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000461111263 243586766 /nfs/dbraw/zinc/58/67/66/243586766.db2.gz JQJFNWIBAWBECM-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(Br)s1 ZINC000268677827 432118546 /nfs/dbraw/zinc/11/85/46/432118546.db2.gz WGRTUXSLXIASAY-JTQLQIEISA-N 0 3 304.253 3.270 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000467894696 244010481 /nfs/dbraw/zinc/01/04/81/244010481.db2.gz WFMKDKFFHKMIFR-LJQANCHMSA-N 0 3 315.461 3.369 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN(CC1CC1)CC1CC1 ZINC000115562799 284114355 /nfs/dbraw/zinc/11/43/55/284114355.db2.gz LMGGRCJAVUKHAM-UHFFFAOYSA-N 0 3 317.820 3.272 20 30 DGEDHN C=CCC[C@H](O)CN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469735288 244120809 /nfs/dbraw/zinc/12/08/09/244120809.db2.gz HCGCPQMPBVDMEF-AWEZNQCLSA-N 0 3 317.351 3.343 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000470968979 244198473 /nfs/dbraw/zinc/19/84/73/244198473.db2.gz SZBSWCGWAGNMBK-KDOFPFPSSA-N 0 3 309.413 3.326 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCN(CC)C1CC1 ZINC000471815322 244252838 /nfs/dbraw/zinc/25/28/38/244252838.db2.gz IQHMUIMBBXLVNS-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000471980334 244273552 /nfs/dbraw/zinc/27/35/52/244273552.db2.gz UXZYHWHZSBFWDE-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000472153415 244285311 /nfs/dbraw/zinc/28/53/11/244285311.db2.gz HVTGNUGLOLOBAQ-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000472745587 244314137 /nfs/dbraw/zinc/31/41/37/244314137.db2.gz FEVJHUYJOGFZNN-INIZCTEOSA-N 0 3 308.853 3.098 20 30 DGEDHN CC(C)CC[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000472809477 244316076 /nfs/dbraw/zinc/31/60/76/244316076.db2.gz KSIMATCLEADIDT-SJLPKXTDSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC2CC2)C2CCC2)CC1 ZINC000474332808 244390465 /nfs/dbraw/zinc/39/04/65/244390465.db2.gz VULDGYLDSYJHPN-UHFFFAOYSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000488931989 245250704 /nfs/dbraw/zinc/25/07/04/245250704.db2.gz KVVSEOZEHMYXOS-GOSISDBHSA-N 0 3 323.440 3.069 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1C=C ZINC000489435813 245307229 /nfs/dbraw/zinc/30/72/29/245307229.db2.gz MSRDMUMRXVIGLB-ROUUACIJSA-N 0 3 301.430 3.195 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000489476261 245313723 /nfs/dbraw/zinc/31/37/23/245313723.db2.gz NDJOSISFPLHMHS-HBFSDRIKSA-N 0 3 315.457 3.482 20 30 DGEDHN Cc1nc(C)n(C[C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000246410906 432127190 /nfs/dbraw/zinc/12/71/90/432127190.db2.gz QLQCKQGAOXFDMW-KDOFPFPSSA-N 0 3 323.444 3.240 20 30 DGEDHN CCOc1ccccc1NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271681025 209121645 /nfs/dbraw/zinc/12/16/45/209121645.db2.gz PNZQYZPKWYKQFC-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000266419120 205333495 /nfs/dbraw/zinc/33/34/95/205333495.db2.gz IIDFZMGKEGJBMN-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cc(C#N)ccn1 ZINC000288475237 220164984 /nfs/dbraw/zinc/16/49/84/220164984.db2.gz QQIUDKGPBZXORR-CRAIPNDOSA-N 0 3 306.413 3.276 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190183996 432129900 /nfs/dbraw/zinc/12/99/00/432129900.db2.gz LPAXZYGZMOTORD-AYBZRNKSSA-N 0 3 312.457 3.478 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccnc(C#N)c1 ZINC000288541648 220219381 /nfs/dbraw/zinc/21/93/81/220219381.db2.gz VDONCMRBTJQSQQ-HNAYVOBHSA-N 0 3 306.413 3.276 20 30 DGEDHN N#Cc1ccc(NC[C@@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000267405734 206044219 /nfs/dbraw/zinc/04/42/19/206044219.db2.gz QOGGFMHOYFGGOL-AWEZNQCLSA-N 0 3 312.442 3.339 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000494111597 246113192 /nfs/dbraw/zinc/11/31/92/246113192.db2.gz LCOVTALYMPAWSA-HZPDHXFCSA-N 0 3 321.509 3.493 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@H](O)c2ccccc2F)cc1 ZINC000268789850 432134358 /nfs/dbraw/zinc/13/43/58/432134358.db2.gz LMNPDGVTKXHSJK-KUHUBIRLSA-N 0 3 313.372 3.222 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](C1CC1)C(F)(F)F ZINC000494792390 246191418 /nfs/dbraw/zinc/19/14/18/246191418.db2.gz FWOQAMQGFLFQSY-ZIAGYGMSSA-N 0 3 310.319 3.216 20 30 DGEDHN CN1CCN(Cc2ccc(F)cc2C#N)C2(CCCCC2)C1 ZINC000494914844 246209816 /nfs/dbraw/zinc/20/98/16/246209816.db2.gz LIGMDVQCUMMPHA-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN Cc1cc(CNC(=O)C(C)C#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000495932427 246328770 /nfs/dbraw/zinc/32/87/70/246328770.db2.gz VKGZBUCXLKTAMJ-LBPRGKRZSA-N 0 3 317.389 3.118 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(F)c(F)c1)C(C)C ZINC000496013854 246342063 /nfs/dbraw/zinc/34/20/63/246342063.db2.gz KSHOUXHXRXHZQQ-KRWDZBQOSA-N 0 3 322.399 3.393 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)s1)C(C)C ZINC000496013127 246342108 /nfs/dbraw/zinc/34/21/08/246342108.db2.gz HFFYRJAYRAMOGW-HNNXBMFYSA-N 0 3 306.475 3.485 20 30 DGEDHN C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1cc(C#N)cs1 ZINC000496342294 246383998 /nfs/dbraw/zinc/38/39/98/246383998.db2.gz JCSPQJZJZYFCTP-LBPRGKRZSA-N 0 3 323.462 3.403 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCC(C)(C)C#N ZINC000496453732 246397736 /nfs/dbraw/zinc/39/77/36/246397736.db2.gz GTPMVIJFXZMQRP-KBPBESRZSA-N 0 3 309.454 3.304 20 30 DGEDHN CC[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000359079705 269675734 /nfs/dbraw/zinc/67/57/34/269675734.db2.gz XFAPSUDSRBCLFT-MOPGFXCFSA-N 0 3 319.408 3.404 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000058453542 184119243 /nfs/dbraw/zinc/11/92/43/184119243.db2.gz YEHVVPOTPIOXSF-UHFFFAOYSA-N 0 3 314.433 3.253 20 30 DGEDHN COc1cc(CN[C@H](C)CN(C)Cc2ccccc2)ccc1C#N ZINC000336681631 252996366 /nfs/dbraw/zinc/99/63/66/252996366.db2.gz DWGALFOSXSPWFY-MRXNPFEDSA-N 0 3 323.440 3.177 20 30 DGEDHN C=C[C@H](CC(=O)N(C)C[C@H]1CCCN(C)C1)c1ccccc1 ZINC000270288425 208363383 /nfs/dbraw/zinc/36/33/83/208363383.db2.gz ABNUDILAIXIEER-DLBZAZTESA-N 0 3 300.446 3.147 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000159233248 197337896 /nfs/dbraw/zinc/33/78/96/197337896.db2.gz FIBZBGWUVDCOLM-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN Cc1ccnc(NC2CCN([C@H](C)c3ccncc3)CC2)c1C#N ZINC000272979770 210360114 /nfs/dbraw/zinc/36/01/14/210360114.db2.gz ARFPNCBPOIRNPR-OAHLLOKOSA-N 0 3 321.428 3.294 20 30 DGEDHN CC[C@@H]1CN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000342832539 254061270 /nfs/dbraw/zinc/06/12/70/254061270.db2.gz SWKXSDGQGNNLBW-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN CC[C@@H]1CN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000342832758 254061813 /nfs/dbraw/zinc/06/18/13/254061813.db2.gz VCOYZJOHJVFZBU-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN CCC[C@H]1CN(c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000342852385 254065611 /nfs/dbraw/zinc/06/56/11/254065611.db2.gz RIJJXDAEZSSTKT-IBGZPJMESA-N 0 3 320.440 3.444 20 30 DGEDHN CC[C@H](C)N[C@@H](CNc1nnc(C)c(C)c1C#N)c1ccco1 ZINC000343268386 254122671 /nfs/dbraw/zinc/12/26/71/254122671.db2.gz WEGIRQMSBNSUDT-NHYWBVRUSA-N 0 3 313.405 3.099 20 30 DGEDHN N#Cc1ccc(CNCCCn2cnc3ccccc32)c(F)c1 ZINC000343089402 254097904 /nfs/dbraw/zinc/09/79/04/254097904.db2.gz CWOXHGFBDKRKJB-UHFFFAOYSA-N 0 3 308.360 3.227 20 30 DGEDHN Cc1ccnc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000343469069 254148154 /nfs/dbraw/zinc/14/81/54/254148154.db2.gz BIYWPZGYLYVTAT-GOSISDBHSA-N 0 3 320.440 3.363 20 30 DGEDHN CCCN(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000343682906 254177395 /nfs/dbraw/zinc/17/73/95/254177395.db2.gz ZXCJAWVPIMYHBX-LLVKDONJSA-N 0 3 305.447 3.167 20 30 DGEDHN N#Cc1ccccc1-c1ccc(CN2CCSC[C@H]2CO)cc1 ZINC000343763386 254185832 /nfs/dbraw/zinc/18/58/32/254185832.db2.gz LJSJNUPCUBYADX-GOSISDBHSA-N 0 3 324.449 3.135 20 30 DGEDHN CC[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000343907577 254202011 /nfs/dbraw/zinc/20/20/11/254202011.db2.gz AMIFJTRTPQRSNK-QAPCUYQASA-N 0 3 311.429 3.176 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C2CC2)C1 ZINC000344121751 254228549 /nfs/dbraw/zinc/22/85/49/254228549.db2.gz VAKACSFNBQRCAZ-MRXNPFEDSA-N 0 3 300.402 3.068 20 30 DGEDHN Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)ccc1C#N ZINC000344131323 254229722 /nfs/dbraw/zinc/22/97/22/254229722.db2.gz WOKPXPDWSYJJIB-UHFFFAOYSA-N 0 3 319.408 3.387 20 30 DGEDHN Cc1ccoc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344253727 254245796 /nfs/dbraw/zinc/24/57/96/254245796.db2.gz IARGYMZUGGXEKT-OAHLLOKOSA-N 0 3 313.376 3.357 20 30 DGEDHN COc1ccc([C@@H](Cc2ccccc2)NC(=O)C(C)C#N)cc1 ZINC000359438385 533130448 /nfs/dbraw/zinc/13/04/48/533130448.db2.gz ZIGQDLVUTHPEPT-RDTXWAMCSA-N 0 3 308.381 3.255 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000344406135 254267173 /nfs/dbraw/zinc/26/71/73/254267173.db2.gz BJGZTNJMZQOEFQ-IBGZPJMESA-N 0 3 323.415 3.452 20 30 DGEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000344727500 254299747 /nfs/dbraw/zinc/29/97/47/254299747.db2.gz SRXYAGNHUGJLBY-KRWDZBQOSA-N 0 3 302.324 3.314 20 30 DGEDHN OCC[C@@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000279363220 285263547 /nfs/dbraw/zinc/26/35/47/285263547.db2.gz WMAZAQHGBCPINX-HOCLYGCPSA-N 0 3 311.347 3.198 20 30 DGEDHN C[C@H]1CC(C)(C)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000120803923 195240471 /nfs/dbraw/zinc/24/04/71/195240471.db2.gz FUQHOLZEJUNTJW-WCQYABFASA-N 0 3 305.447 3.363 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000120838004 195247673 /nfs/dbraw/zinc/24/76/73/195247673.db2.gz HQGMZAJSJDRSMV-SJORKVTESA-N 0 3 302.393 3.477 20 30 DGEDHN C=CCCOCCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271585154 209033238 /nfs/dbraw/zinc/03/32/38/209033238.db2.gz XJZSQGBNLAURCN-CYBMUJFWSA-N 0 3 308.378 3.237 20 30 DGEDHN OC[C@]1(Cc2ccccc2)CCCN1CC#Cc1ccc(F)cc1 ZINC000475646970 285295937 /nfs/dbraw/zinc/29/59/37/285295937.db2.gz GIOBHBFIKCHECJ-OAQYLSRUSA-N 0 3 323.411 3.247 20 30 DGEDHN Cc1cc(CNCc2ccc(C#N)cc2)cc(N2CCCC2)n1 ZINC000289964953 221346290 /nfs/dbraw/zinc/34/62/90/221346290.db2.gz YNDRKMRCBNMJSL-UHFFFAOYSA-N 0 3 306.413 3.152 20 30 DGEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000433344348 296453358 /nfs/dbraw/zinc/45/33/58/296453358.db2.gz REOTYFHIFAZPJU-HHXXYDBFSA-N 0 3 313.445 3.268 20 30 DGEDHN COc1ccc2c(c1)CN(C(=O)C(C)C#N)[C@H](c1ccccc1)C2 ZINC000346082240 533259032 /nfs/dbraw/zinc/25/90/32/533259032.db2.gz QHHDFDUCIGDNEC-LIRRHRJNSA-N 0 3 320.392 3.481 20 30 DGEDHN COCCOc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000339067014 533263292 /nfs/dbraw/zinc/26/32/92/533263292.db2.gz HVQLINORVPGHFZ-LZWOXQAQSA-N 0 3 318.417 3.063 20 30 DGEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H](O)c1ccc(F)cc1 ZINC000126998911 533330085 /nfs/dbraw/zinc/33/00/85/533330085.db2.gz KRWBIVJUYNBJDJ-VVXDDCKHSA-N 0 3 324.399 3.461 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000181796728 533424611 /nfs/dbraw/zinc/42/46/11/533424611.db2.gz HLYYSQDJVYKXLT-CXAGYDPISA-N 0 3 316.426 3.209 20 30 DGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000185798902 533523085 /nfs/dbraw/zinc/52/30/85/533523085.db2.gz CQYCDGFSOAFVFM-IJEWVQPXSA-N 0 3 313.401 3.376 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CCc1cccs1 ZINC000488357950 533502043 /nfs/dbraw/zinc/50/20/43/533502043.db2.gz GZHSSSAQRRRRPS-HNNXBMFYSA-N 0 3 308.491 3.426 20 30 DGEDHN COc1cc(C)c(C[C@H](C)N[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000337497152 533575051 /nfs/dbraw/zinc/57/50/51/533575051.db2.gz JKWIVGYKVZYQPY-OFQRWUPVSA-N 0 3 302.418 3.225 20 30 DGEDHN COc1cccc2c1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000600515419 400086487 /nfs/dbraw/zinc/08/64/87/400086487.db2.gz RYXFCZLQASIFAS-MRXNPFEDSA-N 0 3 320.392 3.310 20 30 DGEDHN CSc1cc(Cl)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000595255894 400113732 /nfs/dbraw/zinc/11/37/32/400113732.db2.gz JRVBBNLAOYIVGM-LLVKDONJSA-N 0 3 311.838 3.412 20 30 DGEDHN CC1(C)CC(CNC(=O)[C@H](N)CCCCC#N)CC(C)(C)C1 ZINC000595266866 400115693 /nfs/dbraw/zinc/11/56/93/400115693.db2.gz AYGQQPCVJYQGMQ-OAHLLOKOSA-N 0 3 307.482 3.366 20 30 DGEDHN CC[C@@H](CC(F)F)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000595286053 400116785 /nfs/dbraw/zinc/11/67/85/400116785.db2.gz BLVYXVYNCAKHGO-HNNXBMFYSA-N 0 3 321.415 3.357 20 30 DGEDHN N#Cc1ccc(Br)c(CNC2(CCO)CCCC2)c1 ZINC000595508729 400172458 /nfs/dbraw/zinc/17/24/58/400172458.db2.gz KGYMYJBBKXGZHU-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CCCCC2)C1 ZINC000609541336 400174636 /nfs/dbraw/zinc/17/46/36/400174636.db2.gz HXMVUTBRWUOQJJ-AEFFLSMTSA-N 0 3 319.493 3.476 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC(C)C)c2cccs2)CC1 ZINC000066921776 400129581 /nfs/dbraw/zinc/12/95/81/400129581.db2.gz KUCPTODNMJNLON-INIZCTEOSA-N 0 3 318.486 3.297 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1nc2ccccn2c1C#N)C(C)C ZINC000609091511 400138927 /nfs/dbraw/zinc/13/89/27/400138927.db2.gz KIQISLRDGCUHMV-KRWDZBQOSA-N 0 3 323.444 3.316 20 30 DGEDHN CC(C)[C@@H](C#N)N1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000595398460 400141156 /nfs/dbraw/zinc/14/11/56/400141156.db2.gz PTDKMRWJNHLECP-AZUAARDMSA-N 0 3 311.473 3.272 20 30 DGEDHN CC(C)(O)C(C)(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000595409183 400142107 /nfs/dbraw/zinc/14/21/07/400142107.db2.gz NFZBPAIEDCYXMD-UHFFFAOYSA-N 0 3 300.324 3.216 20 30 DGEDHN Cc1cccnc1OC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595461012 400157851 /nfs/dbraw/zinc/15/78/51/400157851.db2.gz KIYHMMKMQXOMNO-UHFFFAOYSA-N 0 3 321.424 3.348 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000320214242 400163708 /nfs/dbraw/zinc/16/37/08/400163708.db2.gz YESJAYORSMHDJF-ZWKOTPCHSA-N 0 3 310.397 3.039 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2cccc(C#N)c2)[C@@H]1C ZINC000595558747 400188285 /nfs/dbraw/zinc/18/82/85/400188285.db2.gz INONIAQXOIKENU-JJRVBVJISA-N 0 3 300.402 3.110 20 30 DGEDHN C=CC[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000595658675 400221400 /nfs/dbraw/zinc/22/14/00/400221400.db2.gz HBUSJKMGZHZMHR-HNNXBMFYSA-N 0 3 300.402 3.234 20 30 DGEDHN CC(C)[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000610250210 400229580 /nfs/dbraw/zinc/22/95/80/400229580.db2.gz MYYMDFRJTAYDJD-KVSKMBFKSA-N 0 3 315.461 3.416 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H]2C[C@@H](C)O)ccc1OC ZINC000093483357 400248098 /nfs/dbraw/zinc/24/80/98/400248098.db2.gz ZYHHIOXUMJOQAA-NVXWUHKLSA-N 0 3 319.445 3.385 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCCCC#N)C1 ZINC000588153386 400192461 /nfs/dbraw/zinc/19/24/61/400192461.db2.gz JTWGAFOZXPGAEB-FUHWJXTLSA-N 0 3 313.445 3.412 20 30 DGEDHN C[C@H](CNC(=O)CCCCCC#N)N(C)Cc1ccccc1 ZINC000588157383 400193190 /nfs/dbraw/zinc/19/31/90/400193190.db2.gz LLAZFJWBAGMIGG-MRXNPFEDSA-N 0 3 301.434 3.097 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCCC#N ZINC000588164073 400195026 /nfs/dbraw/zinc/19/50/26/400195026.db2.gz ILVYOPYBLQSABJ-WMZOPIPTSA-N 0 3 313.445 3.097 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1c(C)cccc1C ZINC000595603568 400200083 /nfs/dbraw/zinc/20/00/83/400200083.db2.gz YUCDMAHUCVAYLU-QGZVFWFLSA-N 0 3 313.445 3.203 20 30 DGEDHN N#Cc1ccc([C@H](N[C@@H]2CCCC23CCCCC3)C(N)=O)cc1 ZINC000595602689 400200459 /nfs/dbraw/zinc/20/04/59/400200459.db2.gz DAWQSMGTZJJUEG-SJORKVTESA-N 0 3 311.429 3.177 20 30 DGEDHN Cc1cccc(OC[C@@H](O)CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595636622 400213650 /nfs/dbraw/zinc/21/36/50/400213650.db2.gz TUDLTFNHLMNRJF-SFHVURJKSA-N 0 3 324.424 3.131 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](C)C[C@@H]2C)c1 ZINC000610133342 400216019 /nfs/dbraw/zinc/21/60/19/400216019.db2.gz HUSUXTTZRNFMQI-SJORKVTESA-N 0 3 313.445 3.280 20 30 DGEDHN C=C(C)CCNCc1ccc(C(=O)OC)cc1Br ZINC000386904119 400263492 /nfs/dbraw/zinc/26/34/92/400263492.db2.gz PDTAWUJPLKNTQB-UHFFFAOYSA-N 0 3 312.207 3.292 20 30 DGEDHN N#CCN1CCC(N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000610511967 400267691 /nfs/dbraw/zinc/26/76/91/400267691.db2.gz DUPJOPZMZCEOHG-HXUWFJFHSA-N 0 3 323.415 3.493 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596116929 400322215 /nfs/dbraw/zinc/32/22/15/400322215.db2.gz ZJGIYQQRFWBHHD-UHFFFAOYSA-N 0 3 314.389 3.227 20 30 DGEDHN N#CCSCCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000595829540 400272769 /nfs/dbraw/zinc/27/27/69/400272769.db2.gz QZHIEQNHRUZDJZ-GFCCVEGCSA-N 0 3 319.257 3.263 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595830149 400274072 /nfs/dbraw/zinc/27/40/72/400274072.db2.gz CARYDAKOPALZJC-LJQANCHMSA-N 0 3 308.381 3.090 20 30 DGEDHN CC[C@H](c1ccccc1)N(CC(=O)NC1(C#N)CCC1)C(C)C ZINC000595848648 400280715 /nfs/dbraw/zinc/28/07/15/400280715.db2.gz BPHZUWZQQSVHAK-QGZVFWFLSA-N 0 3 313.445 3.411 20 30 DGEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000595877886 400285198 /nfs/dbraw/zinc/28/51/98/400285198.db2.gz LDYIDEFFRCXXPM-VQIMIIECSA-N 0 3 317.477 3.087 20 30 DGEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H](O)C(F)(F)F ZINC000601301123 400286182 /nfs/dbraw/zinc/28/61/82/400286182.db2.gz RNWUQRSBTBRWTR-VQISRLSMSA-N 0 3 312.335 3.227 20 30 DGEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000589341806 400290077 /nfs/dbraw/zinc/29/00/77/400290077.db2.gz WWINIIOHRRIORD-BDJLRTHQSA-N 0 3 318.380 3.478 20 30 DGEDHN CC1(C#N)CCC(N2CCN(c3cccc(F)c3)CC2)CC1 ZINC000601314996 400290171 /nfs/dbraw/zinc/29/01/71/400290171.db2.gz UKUDGMNYERPYOS-UHFFFAOYSA-N 0 3 301.409 3.420 20 30 DGEDHN N#Cc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccc1F ZINC000610719321 400296306 /nfs/dbraw/zinc/29/63/06/400296306.db2.gz JKMVNGKBQYGVKJ-QZTJIDSGSA-N 0 3 321.399 3.266 20 30 DGEDHN CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000595961428 400297245 /nfs/dbraw/zinc/29/72/45/400297245.db2.gz BXERRLZOVKYEEK-LBPRGKRZSA-N 0 3 308.813 3.120 20 30 DGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cccc(C#N)n1 ZINC000589456097 400297658 /nfs/dbraw/zinc/29/76/58/400297658.db2.gz AVQBUKSITUWOCZ-UHFFFAOYSA-N 0 3 320.396 3.110 20 30 DGEDHN Cc1ccc(C#N)nc1NCC1(N2CCSCC2)CCCC1 ZINC000596075092 400309913 /nfs/dbraw/zinc/30/99/13/400309913.db2.gz WKMVTZBAKTUVSQ-UHFFFAOYSA-N 0 3 316.474 3.035 20 30 DGEDHN C[C@H](NCCn1ccc(C(F)(F)F)n1)c1cccc(C#N)c1 ZINC000601942164 400381889 /nfs/dbraw/zinc/38/18/89/400381889.db2.gz RVLNGCICRKUQHS-NSHDSACASA-N 0 3 308.307 3.124 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCn1ccc(C(F)(F)F)n1)CC2 ZINC000601962508 400388109 /nfs/dbraw/zinc/38/81/09/400388109.db2.gz DIERIHWPXPBJNI-AWEZNQCLSA-N 0 3 320.318 3.051 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000601961858 400388274 /nfs/dbraw/zinc/38/82/74/400388274.db2.gz ILCCJBJXHZXJPJ-INIZCTEOSA-N 0 3 316.445 3.095 20 30 DGEDHN COC(=O)c1cccc(OCCN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611388366 400390057 /nfs/dbraw/zinc/39/00/57/400390057.db2.gz GPBMVMHFZMFXSQ-AWEZNQCLSA-N 0 3 324.380 3.074 20 30 DGEDHN COc1ccc([C@@H](CCC#N)NCCOCC2CCC2)cc1 ZINC000578410312 400328624 /nfs/dbraw/zinc/32/86/24/400328624.db2.gz KDTLRBNCYAPKDF-GOSISDBHSA-N 0 3 302.418 3.446 20 30 DGEDHN CSC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000601690831 400330619 /nfs/dbraw/zinc/33/06/19/400330619.db2.gz ATOTXLAFCQDYCY-HNNXBMFYSA-N 0 3 302.443 3.113 20 30 DGEDHN C[C@@H](COCC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392339 400391233 /nfs/dbraw/zinc/39/12/33/400391233.db2.gz MPCSOEPTVDEAMZ-NHYWBVRUSA-N 0 3 312.335 3.493 20 30 DGEDHN Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611389505 400391386 /nfs/dbraw/zinc/39/13/86/400391386.db2.gz XWIMVSDDADBUBH-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C)C1 ZINC000611039990 400340645 /nfs/dbraw/zinc/34/06/45/400340645.db2.gz JEGWVRBNTKRWQQ-KGLIPLIRSA-N 0 3 310.401 3.476 20 30 DGEDHN CCCCOCCOCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393216 400392489 /nfs/dbraw/zinc/39/24/89/400392489.db2.gz PJOLLMDSJLDZSR-LJQANCHMSA-N 0 3 316.445 3.359 20 30 DGEDHN CN1CCC[C@@]2(CCN(c3nc(C(C)(C)C)ccc3C#N)C2)C1 ZINC000590141924 400361053 /nfs/dbraw/zinc/36/10/53/400361053.db2.gz LHFNJDQBXJKUMO-LJQANCHMSA-N 0 3 312.461 3.173 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(OCc3ccccc3F)CC2)C1 ZINC000590168658 400366339 /nfs/dbraw/zinc/36/63/39/400366339.db2.gz KWROTEBIQDGAPZ-ZBFHGGJFSA-N 0 3 302.393 3.499 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000611268055 400370244 /nfs/dbraw/zinc/37/02/44/400370244.db2.gz AYDHHLYKBMCUJO-SFHVURJKSA-N 0 3 324.428 3.403 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1cccc(-n2cccn2)c1C#N ZINC000596307814 400375974 /nfs/dbraw/zinc/37/59/74/400375974.db2.gz FGOKXVIMRYZWBV-AWEZNQCLSA-N 0 3 309.417 3.029 20 30 DGEDHN Cc1ccc(F)c(CNC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000116916242 400413386 /nfs/dbraw/zinc/41/33/86/400413386.db2.gz YVHIKRRTMGHQOQ-UHFFFAOYSA-N 0 3 324.403 3.159 20 30 DGEDHN CC(C)(C#N)CCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000611462571 400404855 /nfs/dbraw/zinc/40/48/55/400404855.db2.gz OXECCCTXGOIGNQ-HNNXBMFYSA-N 0 3 314.351 3.442 20 30 DGEDHN Cc1cccc(CNC2CCN(c3ccc(C#N)cn3)CC2)c1F ZINC000590644527 400407348 /nfs/dbraw/zinc/40/73/48/400407348.db2.gz RLQRVRBDVXSNDH-UHFFFAOYSA-N 0 3 324.403 3.159 20 30 DGEDHN C[C@@H]1[C@H](O)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000590661477 400412209 /nfs/dbraw/zinc/41/22/09/400412209.db2.gz WACDBIJCHHTYCT-FOIQADDNSA-N 0 3 322.408 3.092 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)Nc1c(C#N)nnc2ccccc21 ZINC000596487001 400427314 /nfs/dbraw/zinc/42/73/14/400427314.db2.gz CSMFQYWHCILNLD-AWEZNQCLSA-N 0 3 309.417 3.034 20 30 DGEDHN C=C(C)CN1CCC(NCc2c(Cl)cccc2OC)CC1 ZINC000118449045 400428471 /nfs/dbraw/zinc/42/84/71/400428471.db2.gz NMZFCKFWMOTQQH-UHFFFAOYSA-N 0 3 308.853 3.479 20 30 DGEDHN CCc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000120610052 400446692 /nfs/dbraw/zinc/44/66/92/400446692.db2.gz YAZRBVBZDBFNKY-HNNXBMFYSA-N 0 3 308.385 3.057 20 30 DGEDHN N#Cc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000073419484 400448918 /nfs/dbraw/zinc/44/89/18/400448918.db2.gz BCDHXGSVEDTPAM-UHFFFAOYSA-N 0 3 305.381 3.406 20 30 DGEDHN C[C@@H](C1CC1)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000121775777 400456870 /nfs/dbraw/zinc/45/68/70/400456870.db2.gz RSUTTWHTLZXQCQ-ZDUSSCGKSA-N 0 3 319.836 3.317 20 30 DGEDHN COc1cc(C)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602568013 400499241 /nfs/dbraw/zinc/49/92/41/400499241.db2.gz HWGGZFSYROZCAD-HNNXBMFYSA-N 0 3 302.418 3.192 20 30 DGEDHN CN(C)Cc1cccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 ZINC000073727379 400466061 /nfs/dbraw/zinc/46/60/61/400466061.db2.gz KWBMOUCOKKVNBS-IBGZPJMESA-N 0 3 313.445 3.341 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@@H]1SC ZINC000590962133 400469591 /nfs/dbraw/zinc/46/95/91/400469591.db2.gz MFRUXXFJUPQIKF-TWMKSMIVSA-N 0 3 302.443 3.044 20 30 DGEDHN C[C@@H](CCC#N)CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000602476784 400473255 /nfs/dbraw/zinc/47/32/55/400473255.db2.gz WGWVOSOXLNRWJI-XJKSGUPXSA-N 0 3 319.836 3.317 20 30 DGEDHN C[C@H](CCC#N)CNc1cccc(CN2CCC(CO)CC2)c1 ZINC000602490869 400478335 /nfs/dbraw/zinc/47/83/35/400478335.db2.gz WZSYOWWUJDIDKP-MRXNPFEDSA-N 0 3 315.461 3.243 20 30 DGEDHN C=C[C@@H](CC(=O)N(CC)[C@@H]1CCN(CC)C1)c1ccccc1 ZINC000617926351 400479052 /nfs/dbraw/zinc/47/90/52/400479052.db2.gz BOSLVDKGMWUEHO-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H](C4CCC4)C3)o2)c1 ZINC000591062193 400481172 /nfs/dbraw/zinc/48/11/72/400481172.db2.gz WXMVTTPEFMJWJM-INIZCTEOSA-N 0 3 308.385 3.230 20 30 DGEDHN C#Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000043985643 400482441 /nfs/dbraw/zinc/48/24/41/400482441.db2.gz FIAOBQLQJZPWDW-IBGZPJMESA-N 0 3 319.408 3.064 20 30 DGEDHN CN(C)Cc1cccc(CNC(=O)CC2(C#N)CCCCC2)c1 ZINC000596709994 400483202 /nfs/dbraw/zinc/48/32/02/400483202.db2.gz DUZZSMLPOPOWKF-UHFFFAOYSA-N 0 3 313.445 3.229 20 30 DGEDHN CCOCc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602512759 400483653 /nfs/dbraw/zinc/48/36/53/400483653.db2.gz UJPISHJXUJBTRV-MRXNPFEDSA-N 0 3 316.445 3.412 20 30 DGEDHN Cc1cc(C)cc(OCCN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602528588 400488735 /nfs/dbraw/zinc/48/87/35/400488735.db2.gz RVSSJFDZXQKXSI-KRWDZBQOSA-N 0 3 316.445 3.371 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618351119 400571118 /nfs/dbraw/zinc/57/11/18/400571118.db2.gz PZYHYWFJBGMWLU-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN CC(C)(C#N)CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000612588197 400571495 /nfs/dbraw/zinc/57/14/95/400571495.db2.gz SEUOZALXQMTFOJ-UHFFFAOYSA-N 0 3 319.836 3.084 20 30 DGEDHN C[C@H](CCC#N)CN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000602628950 400516423 /nfs/dbraw/zinc/51/64/23/400516423.db2.gz ZZLKARGZRNJZSA-VXGBXAGGSA-N 0 3 302.353 3.466 20 30 DGEDHN COC[C@@H](C)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597178109 400577988 /nfs/dbraw/zinc/57/79/88/400577988.db2.gz VRCIWZXGIZTNMD-HZPDHXFCSA-N 0 3 302.418 3.226 20 30 DGEDHN C[C@@H](CCC#N)CN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000602659439 400528947 /nfs/dbraw/zinc/52/89/47/400528947.db2.gz QBPMRGCYZXGKOH-HOTGVXAUSA-N 0 3 301.434 3.078 20 30 DGEDHN C[C@H](Cc1cn(C)c2ccc(F)cc12)NCc1cccc(C#N)n1 ZINC000602693671 400541096 /nfs/dbraw/zinc/54/10/96/400541096.db2.gz FLRRZPNWFIMIIB-CYBMUJFWSA-N 0 3 322.387 3.305 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000591626928 400547694 /nfs/dbraw/zinc/54/76/94/400547694.db2.gz LWOOFTKIJLUBDG-LJQANCHMSA-N 0 3 321.424 3.033 20 30 DGEDHN N#CCSCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000074981293 400552097 /nfs/dbraw/zinc/55/20/97/400552097.db2.gz WBAQJNIDOLLWIE-HNNXBMFYSA-N 0 3 318.442 3.242 20 30 DGEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000591728233 400552686 /nfs/dbraw/zinc/55/26/86/400552686.db2.gz CCVYZJHQZQFECH-LSDHHAIUSA-N 0 3 316.836 3.199 20 30 DGEDHN COC(=O)[C@H](C)CN(Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597080750 400552944 /nfs/dbraw/zinc/55/29/44/400552944.db2.gz MSXHPWCBDFHAON-CQSZACIVSA-N 0 3 312.413 3.015 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cnc(C)s1 ZINC000602953708 400613274 /nfs/dbraw/zinc/61/32/74/400613274.db2.gz BSNIUKBXJDLTMR-LLVKDONJSA-N 0 3 317.414 3.061 20 30 DGEDHN Cc1ncc([C@H](C)NCCC(=O)Nc2ccccc2C#N)s1 ZINC000602957866 400614609 /nfs/dbraw/zinc/61/46/09/400614609.db2.gz VEVSXXAAOAEUKJ-NSHDSACASA-N 0 3 314.414 3.003 20 30 DGEDHN C[C@H](CN1CC[C@](O)(CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000592152884 400614766 /nfs/dbraw/zinc/61/47/66/400614766.db2.gz GDMYSUCCVKBWKP-IUODEOHRSA-N 0 3 312.335 3.159 20 30 DGEDHN N#CCc1ccc(CN2CCC(Oc3ccccn3)CC2)cc1 ZINC000140498250 400618702 /nfs/dbraw/zinc/61/87/02/400618702.db2.gz OOWFCLCQQZSJFX-UHFFFAOYSA-N 0 3 307.397 3.191 20 30 DGEDHN Cc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccc1C#N ZINC000618593478 400636810 /nfs/dbraw/zinc/63/68/10/400636810.db2.gz MGDGIVJQBWCYRA-WOJBJXKFSA-N 0 3 317.436 3.435 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000618594645 400636994 /nfs/dbraw/zinc/63/69/94/400636994.db2.gz STLGZYDEZGUVRE-MRXNPFEDSA-N 0 3 314.429 3.422 20 30 DGEDHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000075505072 400589900 /nfs/dbraw/zinc/58/99/00/400589900.db2.gz BVONHUOFMRXVLP-CQSZACIVSA-N 0 3 307.397 3.111 20 30 DGEDHN N#Cc1cnn2cc(CN3CCC[C@@H](C4CCCCC4)C3)cnc12 ZINC000597237639 400596569 /nfs/dbraw/zinc/59/65/69/400596569.db2.gz AMYXTXHYMRENTL-QGZVFWFLSA-N 0 3 323.444 3.393 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000592070428 400601795 /nfs/dbraw/zinc/60/17/95/400601795.db2.gz XUYMUTWMVZZPPS-UHFFFAOYSA-N 0 3 318.417 3.421 20 30 DGEDHN CCN(Cc1ccnc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000612825298 400610193 /nfs/dbraw/zinc/61/01/93/400610193.db2.gz HRDBJARLMYMPIW-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597606243 400651761 /nfs/dbraw/zinc/65/17/61/400651761.db2.gz VMOZYXPGSJVSAF-QGZVFWFLSA-N 0 3 313.445 3.044 20 30 DGEDHN CN(C)[C@@H](CNc1snc(Cl)c1C#N)c1ccccc1 ZINC000076429487 400654772 /nfs/dbraw/zinc/65/47/72/400654772.db2.gz QJXNVAUYQUHNAW-LBPRGKRZSA-N 0 3 306.822 3.383 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cn(C)c3ccccc23)nc(C)n1 ZINC000049405192 400668840 /nfs/dbraw/zinc/66/88/40/400668840.db2.gz RFSWQNRPMVXNND-CQSZACIVSA-N 0 3 304.353 3.075 20 30 DGEDHN CCC(C#N)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000597766420 400669992 /nfs/dbraw/zinc/66/99/92/400669992.db2.gz XLALWEHUBYXDFB-ZDUSSCGKSA-N 0 3 308.422 3.087 20 30 DGEDHN COCCOc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742763 400680101 /nfs/dbraw/zinc/68/01/01/400680101.db2.gz RRCFDAFLSNRGIQ-HXUWFJFHSA-N 0 3 322.408 3.361 20 30 DGEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618743043 400680403 /nfs/dbraw/zinc/68/04/03/400680403.db2.gz UZXUOUNMHTWBRW-QGZVFWFLSA-N 0 3 308.381 3.353 20 30 DGEDHN CC(C)N(C(=O)CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592695042 400687409 /nfs/dbraw/zinc/68/74/09/400687409.db2.gz SUHSKQXWRIPLHV-SFHVURJKSA-N 0 3 313.445 3.192 20 30 DGEDHN C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000052101538 400719352 /nfs/dbraw/zinc/71/93/52/400719352.db2.gz ADOPNZGRMUHIGF-STQMWFEESA-N 0 3 302.378 3.141 20 30 DGEDHN N#CC1(NC(=O)CN2CCC[C@H]2C2CCCCC2)CCCCC1 ZINC000603856273 400723956 /nfs/dbraw/zinc/72/39/56/400723956.db2.gz IQROKFDDMBRMFE-KRWDZBQOSA-N 0 3 317.477 3.374 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1ccccc1 ZINC000052802538 400747323 /nfs/dbraw/zinc/74/73/23/400747323.db2.gz UIHPCWKHDWPUOY-MRXNPFEDSA-N 0 3 321.424 3.450 20 30 DGEDHN Cc1ccc(CN(CCC(=O)Nc2ccccc2C#N)C2CC2)o1 ZINC000164991210 400751087 /nfs/dbraw/zinc/75/10/87/400751087.db2.gz RDPATHVULNWCFA-UHFFFAOYSA-N 0 3 323.396 3.453 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncccc1C#N ZINC000077236679 400700779 /nfs/dbraw/zinc/70/07/79/400700779.db2.gz CSKDBOUWWOYTPV-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CCN(C)C1 ZINC000592829648 400706990 /nfs/dbraw/zinc/70/69/90/400706990.db2.gz UGIVUAKXTTVEDI-MSOLQXFVSA-N 0 3 313.445 3.017 20 30 DGEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000052908532 400753173 /nfs/dbraw/zinc/75/31/73/400753173.db2.gz DFEXSJDNJXVXML-UHFFFAOYSA-N 0 3 305.809 3.415 20 30 DGEDHN CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C)C1 ZINC000592828056 400707576 /nfs/dbraw/zinc/70/75/76/400707576.db2.gz AQITZJOVIMBCDU-QGZVFWFLSA-N 0 3 313.445 3.044 20 30 DGEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618893366 400711585 /nfs/dbraw/zinc/71/15/85/400711585.db2.gz KIRYIZIWXVEQRW-LJQANCHMSA-N 0 3 319.408 3.037 20 30 DGEDHN C[C@@H]1CCCN(CCNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613411759 400712041 /nfs/dbraw/zinc/71/20/41/400712041.db2.gz NUYWINAZERCHAR-CQSZACIVSA-N 0 3 300.450 3.395 20 30 DGEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cccc(CC#N)c1 ZINC000603738177 400713680 /nfs/dbraw/zinc/71/36/80/400713680.db2.gz AJRILYMGQXXZLY-UHFFFAOYSA-N 0 3 323.396 3.075 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C3CCC3)CC2)cc1 ZINC000597990487 400715517 /nfs/dbraw/zinc/71/55/17/400715517.db2.gz XDRYWQGYLCVFPJ-IBGZPJMESA-N 0 3 321.424 3.279 20 30 DGEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ccc1C#N ZINC000613427293 400717350 /nfs/dbraw/zinc/71/73/50/400717350.db2.gz ZCEOHCWYDYTIME-ZFWWWQNUSA-N 0 3 300.450 3.027 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000171734612 400805259 /nfs/dbraw/zinc/80/52/59/400805259.db2.gz QZGKTDKHDOFDOB-WBVHZDCISA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@]1(C#N)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000598418989 400810311 /nfs/dbraw/zinc/81/03/11/400810311.db2.gz FEKWSYUYARUHBF-LJQANCHMSA-N 0 3 311.429 3.048 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000078587421 400812915 /nfs/dbraw/zinc/81/29/15/400812915.db2.gz XSHVPUHOPQQMAL-APWZRJJASA-N 0 3 308.425 3.251 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCCC2=O)CC1 ZINC000619327405 400817010 /nfs/dbraw/zinc/81/70/10/400817010.db2.gz HKBPMQAYFJTRRU-QGZVFWFLSA-N 0 3 324.424 3.121 20 30 DGEDHN C[C@@]1(CCNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598218961 400763370 /nfs/dbraw/zinc/76/33/70/400763370.db2.gz JRCPDIWLFOOTMV-GOEBONIOSA-N 0 3 306.356 3.311 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cccc(OCc3ccccn3)c2)C1 ZINC000613660885 400771387 /nfs/dbraw/zinc/77/13/87/400771387.db2.gz BKUDBXVHKPKWCY-RDJZCZTQSA-N 0 3 307.397 3.442 20 30 DGEDHN CC(C#N)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000598299061 400775605 /nfs/dbraw/zinc/77/56/05/400775605.db2.gz CTVGUTSUQQREAD-ZETCQYMHSA-N 0 3 304.234 3.316 20 30 DGEDHN CCN(CCOc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000604491854 400780433 /nfs/dbraw/zinc/78/04/33/400780433.db2.gz HLDZNLNINJGHJU-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2c(C)cccc2C)CC1 ZINC000180287271 400883162 /nfs/dbraw/zinc/88/31/62/400883162.db2.gz NZULPVPSNDEEOE-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000180418603 400883215 /nfs/dbraw/zinc/88/32/15/400883215.db2.gz NTNFMRCASNHOHC-HNNXBMFYSA-N 0 3 303.450 3.292 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054718525 400835279 /nfs/dbraw/zinc/83/52/79/400835279.db2.gz MCKSSKGFOVHKNW-WMZOPIPTSA-N 0 3 315.461 3.430 20 30 DGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598599820 400841359 /nfs/dbraw/zinc/84/13/59/400841359.db2.gz FXRJRSGYLJDUQH-LSDHHAIUSA-N 0 3 304.434 3.425 20 30 DGEDHN CC(C)Oc1cccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598600210 400841379 /nfs/dbraw/zinc/84/13/79/400841379.db2.gz IGHBKVRBWCPJQR-GOEBONIOSA-N 0 3 304.434 3.425 20 30 DGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000598600749 400841451 /nfs/dbraw/zinc/84/14/51/400841451.db2.gz JGSRYRIIRXKVRG-AAEUAGOBSA-N 0 3 312.360 3.239 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2cccc(F)c2F)CC1 ZINC000598606345 400843326 /nfs/dbraw/zinc/84/33/26/400843326.db2.gz DRHSQAVEGHCKOW-AWEZNQCLSA-N 0 3 322.399 3.445 20 30 DGEDHN CC(C)c1cccc2c1CCN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598618970 400844310 /nfs/dbraw/zinc/84/43/10/400844310.db2.gz XWQHEHQNWCMYPW-INIZCTEOSA-N 0 3 300.446 3.469 20 30 DGEDHN CC(=O)N1CC[C@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000598679758 400856648 /nfs/dbraw/zinc/85/66/48/400856648.db2.gz MJSWRNOMQBWHIS-IBGZPJMESA-N 0 3 319.408 3.340 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@H](O)CC(C)(C)C#N ZINC000598713826 400864088 /nfs/dbraw/zinc/86/40/88/400864088.db2.gz DIAWYHYNINWJLU-UKRRQHHQSA-N 0 3 304.434 3.492 20 30 DGEDHN CC(C)[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715921 400864136 /nfs/dbraw/zinc/86/41/36/400864136.db2.gz VCHBECHCAPUIRT-XJKSGUPXSA-N 0 3 314.433 3.150 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)CCC#N)c1cccc(Cl)c1 ZINC000182584563 400892997 /nfs/dbraw/zinc/89/29/97/400892997.db2.gz HTIICZDFZBZLTO-OAHLLOKOSA-N 0 3 307.825 3.143 20 30 DGEDHN C[C@@H](CCO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000593695238 400893697 /nfs/dbraw/zinc/89/36/97/400893697.db2.gz YZDOMLWSXCTXBH-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1cccc(Cl)c1 ZINC000182590649 400894635 /nfs/dbraw/zinc/89/46/35/400894635.db2.gz DAYNXXKPVCMJFI-CJNGLKHVSA-N 0 3 321.852 3.389 20 30 DGEDHN CCC(C#N)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000593735789 400901246 /nfs/dbraw/zinc/90/12/46/400901246.db2.gz XTGLVJUQHRTASV-CHWSQXEVSA-N 0 3 310.438 3.189 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908776 400902384 /nfs/dbraw/zinc/90/23/84/400902384.db2.gz NTGOMQGAYKELKG-GOSISDBHSA-N 0 3 316.420 3.033 20 30 DGEDHN C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N1CCCCCC1 ZINC000619766890 400902842 /nfs/dbraw/zinc/90/28/42/400902842.db2.gz JXIABSXIOPZBND-ZDUSSCGKSA-N 0 3 319.836 3.092 20 30 DGEDHN CC(C#N)C(=O)N1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC000598913040 400908558 /nfs/dbraw/zinc/90/85/58/400908558.db2.gz ODHMMWLQWBNVTC-HNNXBMFYSA-N 0 3 313.445 3.048 20 30 DGEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000194014537 400919826 /nfs/dbraw/zinc/91/98/26/400919826.db2.gz LXULDYGABWEHEM-FUHWJXTLSA-N 0 3 301.434 3.090 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599011139 400926183 /nfs/dbraw/zinc/92/61/83/400926183.db2.gz ZKLRXDZJEQFZIK-DZGCQCFKSA-N 0 3 310.319 3.234 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCc1ccc(F)c(C#N)c1)C(C)C ZINC000594038490 400958885 /nfs/dbraw/zinc/95/88/85/400958885.db2.gz AKUXDMMSLZVEER-INIZCTEOSA-N 0 3 306.381 3.153 20 30 DGEDHN N#CCCN1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000614911507 400965812 /nfs/dbraw/zinc/96/58/12/400965812.db2.gz UDOQWLQFFUTSMR-UHFFFAOYSA-N 0 3 311.473 3.492 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000058452392 401052663 /nfs/dbraw/zinc/05/26/63/401052663.db2.gz XTLZSJZCLUFPGK-HUUCEWRRSA-N 0 3 314.433 3.251 20 30 DGEDHN COC(=O)c1ccc(CN(C)CCCCC(C)(C)C#N)nc1 ZINC000599449680 401052684 /nfs/dbraw/zinc/05/26/84/401052684.db2.gz YOLJTVRLZROCEE-UHFFFAOYSA-N 0 3 303.406 3.020 20 30 DGEDHN N#CC1(C[C@H](O)CN2CC3(CC=CC3)[C@@H]2c2ccccc2)CC1 ZINC000599452590 401054911 /nfs/dbraw/zinc/05/49/11/401054911.db2.gz UCGCOPCXNBYOCZ-ROUUACIJSA-N 0 3 308.425 3.434 20 30 DGEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@@H](C)C1(F)F ZINC000599514705 401063796 /nfs/dbraw/zinc/06/37/96/401063796.db2.gz YVXOCIVRSRPTCK-CHWSQXEVSA-N 0 3 321.371 3.110 20 30 DGEDHN Cc1ccc(CN2CCC[C@H](c3nncn3C(C)C)C2)cc1C#N ZINC000599330516 401023768 /nfs/dbraw/zinc/02/37/68/401023768.db2.gz BSGRXBFGXIBBCC-KRWDZBQOSA-N 0 3 323.444 3.419 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](C)Cn2cccn2)ccc1OC ZINC000057962361 401037873 /nfs/dbraw/zinc/03/78/73/401037873.db2.gz LBAQNJCUEIDHET-HNNXBMFYSA-N 0 3 315.417 3.025 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](C)Cn2cccn2)ccc1OC ZINC000057962369 401038069 /nfs/dbraw/zinc/03/80/69/401038069.db2.gz LBAQNJCUEIDHET-OAHLLOKOSA-N 0 3 315.417 3.025 20 30 DGEDHN CN(CCCOc1ccccc1)CCOc1ccccc1C#N ZINC000060468281 401120173 /nfs/dbraw/zinc/12/01/73/401120173.db2.gz JEZSIVUQLJEMDV-UHFFFAOYSA-N 0 3 310.397 3.338 20 30 DGEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)c(C#N)cc1[N+](=O)[O-] ZINC000594596981 401122338 /nfs/dbraw/zinc/12/23/38/401122338.db2.gz BRPFSFRQSHYBOO-ZBFHGGJFSA-N 0 3 314.389 3.204 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3cccc(F)c3o2)CC1 ZINC000607901445 401146319 /nfs/dbraw/zinc/14/63/19/401146319.db2.gz GGEATMXQUZEISV-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cc(C)ccc1C ZINC000599640640 401099457 /nfs/dbraw/zinc/09/94/57/401099457.db2.gz LNKZQHZBROQIQN-MJGOQNOKSA-N 0 3 313.445 3.153 20 30 DGEDHN Cc1ccccc1CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000084677023 401153459 /nfs/dbraw/zinc/15/34/59/401153459.db2.gz VLYJZWUQXZQWMU-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN COc1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)ccc1C#N ZINC000281743042 401154471 /nfs/dbraw/zinc/15/44/71/401154471.db2.gz QNERZTXAEHVHFF-MJGOQNOKSA-N 0 3 308.381 3.187 20 30 DGEDHN N#Cc1ccc(CCNCc2cc(Cl)cc3c2OCC3)cc1 ZINC000594954994 401205632 /nfs/dbraw/zinc/20/56/32/401205632.db2.gz JRJCZHVAWPMROJ-UHFFFAOYSA-N 0 3 312.800 3.479 20 30 DGEDHN COC(=O)[C@H]1CN(CC(C)(C)CCC#N)Cc2ccccc21 ZINC000600216279 401225830 /nfs/dbraw/zinc/22/58/30/401225830.db2.gz XQWDTPSDCPFSIS-INIZCTEOSA-N 0 3 300.402 3.089 20 30 DGEDHN C=CCN(CCC(=O)N1CCCCC1)CCc1ccccc1 ZINC000065959521 401287279 /nfs/dbraw/zinc/28/72/79/401287279.db2.gz FUMDECLKAGKJOZ-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN N#Cc1cccnc1NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065202152 401259697 /nfs/dbraw/zinc/25/96/97/401259697.db2.gz XYCAMQLGIKMPJN-KRWDZBQOSA-N 0 3 306.413 3.277 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@H](C)[C@H](CO)C2)ccc1OC ZINC000621736829 401290479 /nfs/dbraw/zinc/29/04/79/401290479.db2.gz HFXJEUOJOCZVSN-WBVHZDCISA-N 0 3 319.445 3.100 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OC)cc1Cl ZINC000631153046 401410042 /nfs/dbraw/zinc/41/00/42/401410042.db2.gz WQKZRONRSQHNFG-KGLIPLIRSA-N 0 3 311.809 3.180 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1cc(C#N)cs1 ZINC000187994040 165109474 /nfs/dbraw/zinc/10/94/74/165109474.db2.gz BBPOHAIYYSMFRR-MRXNPFEDSA-N 0 3 300.427 3.309 20 30 DGEDHN N#Cc1csc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189601046 165169436 /nfs/dbraw/zinc/16/94/36/165169436.db2.gz YIEZFRRUKZTLHL-AAEUAGOBSA-N 0 3 318.364 3.193 20 30 DGEDHN N#Cc1csc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189601064 165169668 /nfs/dbraw/zinc/16/96/68/165169668.db2.gz YIEZFRRUKZTLHL-WCQYABFASA-N 0 3 318.364 3.193 20 30 DGEDHN Cn1cc(CNCCOc2cccc3ccccc32)cc1C#N ZINC000190798991 165217633 /nfs/dbraw/zinc/21/76/33/165217633.db2.gz BPHURSVNJOTFFI-UHFFFAOYSA-N 0 3 305.381 3.219 20 30 DGEDHN N#Cc1cccc(OCCN2CCC(OC3CCCC3)CC2)c1 ZINC000195328296 165365465 /nfs/dbraw/zinc/36/54/65/165365465.db2.gz RYLZOVWULNLXFN-UHFFFAOYSA-N 0 3 314.429 3.361 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1F ZINC000365267485 287116235 /nfs/dbraw/zinc/11/62/35/287116235.db2.gz XJHASHXXMYUDTP-HOCLYGCPSA-N 0 3 302.393 3.336 20 30 DGEDHN C[C@H](O)C[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000269417005 432171089 /nfs/dbraw/zinc/17/10/89/432171089.db2.gz KRYPMMZUQQCWHT-KBXCAEBGSA-N 0 3 312.388 3.342 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000171724946 432165824 /nfs/dbraw/zinc/16/58/24/432165824.db2.gz AOOLUMLICIRSBO-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2SC)CC1 ZINC000171737357 432166569 /nfs/dbraw/zinc/16/65/69/432166569.db2.gz RCNXKFIPWPTWOF-UHFFFAOYSA-N 0 3 305.447 3.180 20 30 DGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000171741552 432167120 /nfs/dbraw/zinc/16/71/20/432167120.db2.gz DGPQDFDFNQHJMZ-UHFFFAOYSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NC1CCN(CC=C)CC1 ZINC000171741643 432167473 /nfs/dbraw/zinc/16/74/73/432167473.db2.gz WWXIHOFZLSXWRG-UHFFFAOYSA-N 0 3 313.445 3.035 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246948507 432183812 /nfs/dbraw/zinc/18/38/12/432183812.db2.gz UMBDTMHMOZEOST-KXBFYZLASA-N 0 3 313.420 3.146 20 30 DGEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000171948490 432185641 /nfs/dbraw/zinc/18/56/41/432185641.db2.gz ZCAYBAJXTPTYCF-CABCVRRESA-N 0 3 319.424 3.439 20 30 DGEDHN N#CCNC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000150793334 432192190 /nfs/dbraw/zinc/19/21/90/432192190.db2.gz URCSXHVSAPEBRV-KRWDZBQOSA-N 0 3 319.836 3.191 20 30 DGEDHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000269686680 432197757 /nfs/dbraw/zinc/19/77/57/432197757.db2.gz VJVVJIROMJTDBN-IBGZPJMESA-N 0 3 324.424 3.362 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCCc2ccccc2C1 ZINC000172656498 432227795 /nfs/dbraw/zinc/22/77/95/432227795.db2.gz DFAOPYAHWHXWLH-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H](CO)Cc2ccccc2)c1 ZINC000152693818 227075682 /nfs/dbraw/zinc/07/56/82/227075682.db2.gz VSORLBAMWGLWJL-LJQANCHMSA-N 0 3 324.424 3.062 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000291336087 222321211 /nfs/dbraw/zinc/32/12/11/222321211.db2.gz VIAMSQULBYXPSY-OAQYLSRUSA-N 0 3 320.436 3.375 20 30 DGEDHN C[C@H](N[C@H]1COc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000181622080 228363422 /nfs/dbraw/zinc/36/34/22/228363422.db2.gz RPXAVWTYOMSTEO-WMLDXEAASA-N 0 3 308.381 3.243 20 30 DGEDHN COc1cc(F)c([C@@H](C)NCCCSCC#N)cc1OC ZINC000183505974 228373844 /nfs/dbraw/zinc/37/38/44/228373844.db2.gz VUUFLIPITUMIRI-LLVKDONJSA-N 0 3 312.410 3.140 20 30 DGEDHN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC[C@H](C)C2)c(C)c1 ZINC000330692710 229000726 /nfs/dbraw/zinc/00/07/26/229000726.db2.gz AEJWHKCTSHVVBF-DZGCQCFKSA-N 0 3 317.433 3.086 20 30 DGEDHN CC(C#N)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000337499490 229049216 /nfs/dbraw/zinc/04/92/16/229049216.db2.gz ZUUCWLVTAXJTCB-MRVPVSSYSA-N 0 3 313.220 3.161 20 30 DGEDHN N#CCCOCCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000339052005 229073814 /nfs/dbraw/zinc/07/38/14/229073814.db2.gz JAKDONFERYFNDK-HNNXBMFYSA-N 0 3 322.836 3.361 20 30 DGEDHN N#CCCOCCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000339097973 229075140 /nfs/dbraw/zinc/07/51/40/229075140.db2.gz YMVZTFHCISNSHR-UHFFFAOYSA-N 0 3 308.372 3.150 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000347043541 229180052 /nfs/dbraw/zinc/18/00/52/229180052.db2.gz XIWZMQWUGBGSLS-CYBMUJFWSA-N 0 3 306.365 3.064 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000347074535 229182230 /nfs/dbraw/zinc/18/22/30/229182230.db2.gz ROIXDDCKYFPDKM-LLVKDONJSA-N 0 3 321.218 3.147 20 30 DGEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000347127786 229182339 /nfs/dbraw/zinc/18/23/39/229182339.db2.gz FRJFXIDUDYOZOV-CYBMUJFWSA-N 0 3 322.368 3.106 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCc3occc32)cc1 ZINC000348231513 229200147 /nfs/dbraw/zinc/20/01/47/229200147.db2.gz OLXZOVACWUJCTO-WBVHZDCISA-N 0 3 319.364 3.027 20 30 DGEDHN COc1ccc(Br)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349799193 229218163 /nfs/dbraw/zinc/21/81/63/229218163.db2.gz HFSQPJLPFPDUAO-GWCFXTLKSA-N 0 3 309.207 3.240 20 30 DGEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000350979731 229227944 /nfs/dbraw/zinc/22/79/44/229227944.db2.gz RUJADFFRYQDDAN-PBHICJAKSA-N 0 3 309.413 3.135 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000355844561 229318895 /nfs/dbraw/zinc/31/88/95/229318895.db2.gz AIJJDYRLZVXWPT-NSHDSACASA-N 0 3 305.447 3.306 20 30 DGEDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccccc2C#N)cc1 ZINC000299709203 229351251 /nfs/dbraw/zinc/35/12/51/229351251.db2.gz QBNVGMQUYCURDJ-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN N#Cc1cnc(NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000413030831 230114812 /nfs/dbraw/zinc/11/48/12/230114812.db2.gz WGYGRKSMUXODEM-QGZVFWFLSA-N 0 3 310.376 3.341 20 30 DGEDHN Cc1cc(N[C@@H](C)CN2CCCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413085772 230128338 /nfs/dbraw/zinc/12/83/38/230128338.db2.gz BRYXRFSYJSQVSA-ZDUSSCGKSA-N 0 3 302.378 3.061 20 30 DGEDHN CN(C)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302207476 230162309 /nfs/dbraw/zinc/16/23/09/230162309.db2.gz KUKSHFHUCIVBPL-KRWDZBQOSA-N 0 3 310.357 3.181 20 30 DGEDHN C[C@H]1[C@H](Nc2ncc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000413290460 230180265 /nfs/dbraw/zinc/18/02/65/230180265.db2.gz AMGLDKWMYCMFSB-SUMWQHHRSA-N 0 3 310.376 3.167 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ncc(C#N)cc2F)C1 ZINC000413315368 230189050 /nfs/dbraw/zinc/18/90/50/230189050.db2.gz KJBXMRZLLZKMTF-OAHLLOKOSA-N 0 3 324.403 3.051 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)cccc1C#N)c1ccc(F)cc1 ZINC000302423759 230242930 /nfs/dbraw/zinc/24/29/30/230242930.db2.gz JNJCBUBEEBKDON-KRWDZBQOSA-N 0 3 308.360 3.284 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1N1CCCN(C2CCCC2)CC1 ZINC000347410383 264216191 /nfs/dbraw/zinc/21/61/91/264216191.db2.gz GLGLWMYIQUPHAP-UHFFFAOYSA-N 0 3 311.429 3.216 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@@H](C)CCC[C@@H]2C)c1C#N ZINC000534471460 270004959 /nfs/dbraw/zinc/00/49/59/270004959.db2.gz LYMQGQUEBYCNCP-KBPBESRZSA-N 0 3 300.402 3.355 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c(C(F)(F)F)c1 ZINC000352863818 265204009 /nfs/dbraw/zinc/20/40/09/265204009.db2.gz WUFKZJXVHQIHSN-YUELXQCFSA-N 0 3 310.319 3.234 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353269022 265368478 /nfs/dbraw/zinc/36/84/78/265368478.db2.gz SKCHCHDEXRAHPJ-LJQANCHMSA-N 0 3 305.381 3.294 20 30 DGEDHN N#Cc1csc(CN2CCC(CO)(c3ccccc3)CC2)c1 ZINC000353756980 265538769 /nfs/dbraw/zinc/53/87/69/265538769.db2.gz XMZDGOAXLWXIDO-UHFFFAOYSA-N 0 3 312.438 3.146 20 30 DGEDHN Cn1cc(CNC[C@@H](O)c2c(Cl)cccc2Cl)cc1C#N ZINC000191176052 432230528 /nfs/dbraw/zinc/23/05/28/432230528.db2.gz APENDIZHYSMWPJ-CQSZACIVSA-N 0 3 324.211 3.027 20 30 DGEDHN CCC1(C)CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000354394766 266007648 /nfs/dbraw/zinc/00/76/48/266007648.db2.gz QBVKFRXSMHQHDN-UHFFFAOYSA-N 0 3 302.418 3.458 20 30 DGEDHN CCC1(CC)CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000362588466 266008447 /nfs/dbraw/zinc/00/84/47/266008447.db2.gz GDRBMCQJDMNFJN-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1ccc(C#N)cc1F ZINC000353170980 266046659 /nfs/dbraw/zinc/04/66/59/266046659.db2.gz RHNDHMZYRUGZBW-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN C[C@H]1CN(CCCNc2ccc3cc(C#N)ccc3n2)CCCO1 ZINC000617843279 425101444 /nfs/dbraw/zinc/10/14/44/425101444.db2.gz XUAGILUQQSHLOM-HNNXBMFYSA-N 0 3 324.428 3.019 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000247480631 432234577 /nfs/dbraw/zinc/23/45/77/432234577.db2.gz UMTPCXQKBQZELD-IAGOWNOFSA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000513619067 266939624 /nfs/dbraw/zinc/93/96/24/266939624.db2.gz KGOASNOCKQGJGT-HXUWFJFHSA-N 0 3 321.424 3.161 20 30 DGEDHN C[C@@H](NC(=O)c1ccc(C#N)s1)[C@H](c1ccccc1)N(C)C ZINC000356229535 266960097 /nfs/dbraw/zinc/96/00/97/266960097.db2.gz LMOJWJBBUNSARI-MLGOLLRUSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(Cl)c1 ZINC000191218482 432235685 /nfs/dbraw/zinc/23/56/85/432235685.db2.gz OITDSXYVYKXQRE-GFCCVEGCSA-N 0 3 303.793 3.107 20 30 DGEDHN C=C(C)CN(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000182872503 432235967 /nfs/dbraw/zinc/23/59/67/432235967.db2.gz APQBEAHCWYYACB-OAHLLOKOSA-N 0 3 303.450 3.333 20 30 DGEDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000351627244 267029290 /nfs/dbraw/zinc/02/92/90/267029290.db2.gz INJFMJCZZUGNFV-DOMZBBRYSA-N 0 3 324.371 3.143 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000404064072 267055027 /nfs/dbraw/zinc/05/50/27/267055027.db2.gz NDLXGKGPWIJLCS-FOIQADDNSA-N 0 3 323.415 3.307 20 30 DGEDHN CCOC(=O)C(C)(C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000510158225 267113667 /nfs/dbraw/zinc/11/36/67/267113667.db2.gz FQJUAQZZVGAUSN-UHFFFAOYSA-N 0 3 314.429 3.360 20 30 DGEDHN C[C@H](C1CCC1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000357037384 267144478 /nfs/dbraw/zinc/14/44/78/267144478.db2.gz MCBIDWKWDLUWKA-LLVKDONJSA-N 0 3 305.809 3.271 20 30 DGEDHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000355823707 267178959 /nfs/dbraw/zinc/17/89/59/267178959.db2.gz ZDQRWMYUHNWLRM-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN CC[C@@H]1CN(c2ccc(C#N)c(C)n2)CCN1Cc1ccccc1 ZINC000487753359 267203561 /nfs/dbraw/zinc/20/35/61/267203561.db2.gz UGYLPEHDUXFAJF-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374857265 267208176 /nfs/dbraw/zinc/20/81/76/267208176.db2.gz NAWFJBXOUYYBPT-KUHUBIRLSA-N 0 3 310.372 3.352 20 30 DGEDHN Cc1cc(C)n(CCN2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000347955926 267323116 /nfs/dbraw/zinc/32/31/16/267323116.db2.gz KLXCLHVYTMEWTO-UHFFFAOYSA-N 0 3 306.413 3.161 20 30 DGEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000151319141 432238160 /nfs/dbraw/zinc/23/81/60/432238160.db2.gz CHAZBQUALSIDNZ-GOEBONIOSA-N 0 3 311.454 3.372 20 30 DGEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccc(Cl)cc1 ZINC000191238760 432239310 /nfs/dbraw/zinc/23/93/10/432239310.db2.gz GFSFCZLLIZPRRW-LBPRGKRZSA-N 0 3 303.793 3.107 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCC[C@@H]1C ZINC000519666220 267823770 /nfs/dbraw/zinc/82/37/70/267823770.db2.gz AYSUYGKIDWVINJ-QWHCGFSZSA-N 0 3 319.836 3.204 20 30 DGEDHN C[C@@H]1CCCN(CCNc2cc(C(F)(F)F)cnc2C#N)C1 ZINC000413071169 533687612 /nfs/dbraw/zinc/68/76/12/533687612.db2.gz ZKPOWBPCHXQBCF-LLVKDONJSA-N 0 3 312.339 3.116 20 30 DGEDHN N#Cc1ccc(CNC2(CCO)CCCCC2)c(OC(F)F)c1 ZINC000353654197 268072757 /nfs/dbraw/zinc/07/27/57/268072757.db2.gz JCFHZWRTSNVOMX-UHFFFAOYSA-N 0 3 324.371 3.335 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCCN2Cc2ccccc2)cc1F ZINC000404089645 268073628 /nfs/dbraw/zinc/07/36/28/268073628.db2.gz SWDSOBYOHWLJHB-LJQANCHMSA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1c(F)cccc1N1CCN(CCC2CCCC2)CC1 ZINC000525634245 268165592 /nfs/dbraw/zinc/16/55/92/268165592.db2.gz JJHZPRPATBDOEH-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000363855530 268213745 /nfs/dbraw/zinc/21/37/45/268213745.db2.gz QCBFGWOGOLZZBK-MOPGFXCFSA-N 0 3 324.449 3.382 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccnc(N3CCCC3)c1)CC2 ZINC000353391422 268223549 /nfs/dbraw/zinc/22/35/49/268223549.db2.gz XHLWOBFLONMQRW-LJQANCHMSA-N 0 3 318.424 3.331 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H]1c1ccccc1 ZINC000348528728 268278125 /nfs/dbraw/zinc/27/81/25/268278125.db2.gz ZQWNSOHUIPAOMD-SFHVURJKSA-N 0 3 305.381 3.334 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000517026947 268285272 /nfs/dbraw/zinc/28/52/72/268285272.db2.gz CARYDAKOPALZJC-IBGZPJMESA-N 0 3 308.381 3.090 20 30 DGEDHN CC[C@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1Cl ZINC000191285466 432245191 /nfs/dbraw/zinc/24/51/91/432245191.db2.gz WPVZHFJFRNJUIS-OAHLLOKOSA-N 0 3 317.820 3.497 20 30 DGEDHN C=CCC[C@@H](O)CN(CCc1ccccc1)Cc1cccnc1 ZINC000191349396 432253780 /nfs/dbraw/zinc/25/37/80/432253780.db2.gz RDISVQXURSKKLZ-HXUWFJFHSA-N 0 3 310.441 3.453 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000183916905 273478614 /nfs/dbraw/zinc/47/86/14/273478614.db2.gz DINOUDRPRQZXLR-UZLBHIALSA-N 0 3 324.468 3.162 20 30 DGEDHN C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000341563249 274226351 /nfs/dbraw/zinc/22/63/51/274226351.db2.gz JPKWCXGTRWXVAM-OLZOCXBDSA-N 0 3 302.378 3.141 20 30 DGEDHN C[C@@H]1CCN(c2ncc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000413173128 274305015 /nfs/dbraw/zinc/30/50/15/274305015.db2.gz QLMIXGYHCPDOGO-OAHLLOKOSA-N 0 3 324.403 3.193 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000449647059 274520305 /nfs/dbraw/zinc/52/03/05/274520305.db2.gz OZXBADODLKOYBH-JYYAWHABSA-N 0 3 311.429 3.025 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2cc(Cl)ccc2n1C ZINC000449549338 275436887 /nfs/dbraw/zinc/43/68/87/275436887.db2.gz WWMUNHUVVKECNP-DOMZBBRYSA-N 0 3 305.809 3.050 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@H]1CCC(=O)NC12CCC2)N1CCCCC1 ZINC000328690852 275693684 /nfs/dbraw/zinc/69/36/84/275693684.db2.gz IOPFOWDLDJKRIG-GOEBONIOSA-N 0 3 321.465 3.495 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cccc2C)CC1 ZINC000264424889 275738818 /nfs/dbraw/zinc/73/88/18/275738818.db2.gz VPMRVHODJDQNRZ-UHFFFAOYSA-N 0 3 301.434 3.465 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCO[C@@H]21 ZINC000271913569 275889483 /nfs/dbraw/zinc/88/94/83/275889483.db2.gz YLAOLYBBHIJRIR-XHSDSOJGSA-N 0 3 323.358 3.460 20 30 DGEDHN CCN(CC)[C@@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413086045 276113810 /nfs/dbraw/zinc/11/38/10/276113810.db2.gz PIGGXSOCAVTICK-AWEZNQCLSA-N 0 3 302.353 3.180 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191938262 276255442 /nfs/dbraw/zinc/25/54/42/276255442.db2.gz AAADXSATQDDKNA-KRWDZBQOSA-N 0 3 312.413 3.256 20 30 DGEDHN CC[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(C#N)cc1 ZINC000290444103 276593765 /nfs/dbraw/zinc/59/37/65/276593765.db2.gz VQPOBZDOHDCCQL-LNLFQRSKSA-N 0 3 308.381 3.094 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000494111596 276894525 /nfs/dbraw/zinc/89/45/25/276894525.db2.gz LCOVTALYMPAWSA-HOTGVXAUSA-N 0 3 321.509 3.493 20 30 DGEDHN CC(C)(CCC#N)CN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000352271055 277295547 /nfs/dbraw/zinc/29/55/47/277295547.db2.gz MVJGRDKHQYOEES-MRXNPFEDSA-N 0 3 317.408 3.065 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC000248609433 277852021 /nfs/dbraw/zinc/85/20/21/277852021.db2.gz VYGOERWRXKQGJY-FGTMMUONSA-N 0 3 322.493 3.006 20 30 DGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000293567802 278266590 /nfs/dbraw/zinc/26/65/90/278266590.db2.gz XULLYHIYJBBXRR-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CCN(CCCC#N)C2)CC1 ZINC000367396501 278383986 /nfs/dbraw/zinc/38/39/86/278383986.db2.gz KOOZWTKEYAWKKG-UHFFFAOYSA-N 0 3 307.438 3.013 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)C[C@H](c2ccccc2)N(C)C)c1 ZINC000416244510 278628857 /nfs/dbraw/zinc/62/88/57/278628857.db2.gz JGUSKFFDKJRJFI-GOSISDBHSA-N 0 3 307.397 3.498 20 30 DGEDHN Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000185845259 278820818 /nfs/dbraw/zinc/82/08/18/278820818.db2.gz NHUCPCLYWNKXNN-JZXOWHBKSA-N 0 3 311.429 3.162 20 30 DGEDHN CC(C)C[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000468825068 279024118 /nfs/dbraw/zinc/02/41/18/279024118.db2.gz CZWDYKQKEYNHKE-BQFCYCMXSA-N 0 3 307.482 3.187 20 30 DGEDHN CCCO[C@H]1CCCN(CCOc2ccccc2C#N)CC1 ZINC000108391644 431134478 /nfs/dbraw/zinc/13/44/78/431134478.db2.gz ORJSJJOJPAFCCT-KRWDZBQOSA-N 0 3 302.418 3.218 20 30 DGEDHN CC(C)N(C)C(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000345090376 279320945 /nfs/dbraw/zinc/32/09/45/279320945.db2.gz IUQKNPFAGBEPPA-OAHLLOKOSA-N 0 3 313.445 3.198 20 30 DGEDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCCC#N)C2)cc1 ZINC000069016530 431155494 /nfs/dbraw/zinc/15/54/94/431155494.db2.gz SIQSENJMWBTHQE-INIZCTEOSA-N 0 3 314.433 3.132 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000069605647 431203401 /nfs/dbraw/zinc/20/34/01/431203401.db2.gz ALIFVQXUNDIYEA-OAHLLOKOSA-N 0 3 314.433 3.109 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000111259527 431204267 /nfs/dbraw/zinc/20/42/67/431204267.db2.gz PBVUTBLYALDBHJ-LSDHHAIUSA-N 0 3 316.445 3.159 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1CCC1 ZINC000111297029 431208651 /nfs/dbraw/zinc/20/86/51/431208651.db2.gz QTZNEKVJAXTROU-CSLYMUCUSA-N 0 3 305.466 3.038 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1CN1CCCC1 ZINC000189074426 279514607 /nfs/dbraw/zinc/51/46/07/279514607.db2.gz PIRCWMHKWVMGLG-CYBMUJFWSA-N 0 3 324.350 3.037 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000112357723 431271369 /nfs/dbraw/zinc/27/13/69/431271369.db2.gz KEIHOWGQUGOUNF-LJQANCHMSA-N 0 3 315.461 3.386 20 30 DGEDHN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000007018744 431329879 /nfs/dbraw/zinc/32/98/79/431329879.db2.gz DJGKPMRPEVLFHB-VLIAUNLRSA-N 0 3 321.424 3.299 20 30 DGEDHN N#Cc1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000074312286 431412075 /nfs/dbraw/zinc/41/20/75/431412075.db2.gz CKDLMXPJJVALLC-HXUWFJFHSA-N 0 3 306.409 3.430 20 30 DGEDHN CN(CCCSCC#N)Cc1ccc(Br)o1 ZINC000074980973 431444763 /nfs/dbraw/zinc/44/47/63/431444763.db2.gz IZDQTSIXIUTIGT-UHFFFAOYSA-N 0 3 303.225 3.121 20 30 DGEDHN COc1cc(CN(C)CCCSCC#N)ccc1SC ZINC000074989689 431446638 /nfs/dbraw/zinc/44/66/38/431446638.db2.gz HBDIQOPEBIFSST-UHFFFAOYSA-N 0 3 310.488 3.496 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000116951811 431540390 /nfs/dbraw/zinc/54/03/90/431540390.db2.gz KAYKYWRAVJMCOQ-GJZGRUSLSA-N 0 3 321.490 3.224 20 30 DGEDHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000341221020 280184874 /nfs/dbraw/zinc/18/48/74/280184874.db2.gz OQMSEVUFVIDVEO-QGZVFWFLSA-N 0 3 313.445 3.412 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000330906255 280201732 /nfs/dbraw/zinc/20/17/32/280201732.db2.gz ZWBNBXGTELRCGO-AWEZNQCLSA-N 0 3 314.433 3.074 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CSc3ccccc32)CC1 ZINC000118334495 431599845 /nfs/dbraw/zinc/59/98/45/431599845.db2.gz BJTDDAIOGNYNNF-INIZCTEOSA-N 0 3 316.470 3.033 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000025665625 431664070 /nfs/dbraw/zinc/66/40/70/431664070.db2.gz HPVBPPYKUHEIQV-UYAOXDASSA-N 0 3 324.424 3.347 20 30 DGEDHN COc1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000026221452 431671639 /nfs/dbraw/zinc/67/16/39/431671639.db2.gz KVGVMGRWROQKTI-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN CN(CCC(=O)Nc1ccccc1F)Cc1cccc(C#N)c1 ZINC000026328950 431672500 /nfs/dbraw/zinc/67/25/00/431672500.db2.gz LQXRNWCTHVFFIZ-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN C#CCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000120491867 431730840 /nfs/dbraw/zinc/73/08/40/431730840.db2.gz OCYNZESNTURMHH-HKUYNNGSSA-N 0 3 310.441 3.323 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2c(F)cccc2Cl)CC1 ZINC000081381492 431789132 /nfs/dbraw/zinc/78/91/32/431789132.db2.gz UXSHEUHUDCMFIM-GFCCVEGCSA-N 0 3 322.811 3.002 20 30 DGEDHN C=CCN(C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000121499947 431794770 /nfs/dbraw/zinc/79/47/70/431794770.db2.gz ZJMRTRKFKJRAML-UHFFFAOYSA-N 0 3 317.458 3.335 20 30 DGEDHN CN(CC1CCCCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083133654 431806166 /nfs/dbraw/zinc/80/61/66/431806166.db2.gz CZZXFUHDIVRMER-HNNXBMFYSA-N 0 3 317.458 3.237 20 30 DGEDHN C=CCC[C@H](O)CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000121732245 431806839 /nfs/dbraw/zinc/80/68/39/431806839.db2.gz LONPIOHWSSTZPF-SFHVURJKSA-N 0 3 322.880 3.175 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(C(C)(C)C)c1 ZINC000123059128 431853423 /nfs/dbraw/zinc/85/34/23/431853423.db2.gz SJSSFLCGKUVEPX-CYBMUJFWSA-N 0 3 321.384 3.015 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1cccc(C)c1C ZINC000122270126 431824598 /nfs/dbraw/zinc/82/45/98/431824598.db2.gz GIJFKILDGLVHJQ-SFHVURJKSA-N 0 3 313.445 3.203 20 30 DGEDHN C=CCC[C@@H](O)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000124911927 431908245 /nfs/dbraw/zinc/90/82/45/431908245.db2.gz CVAHQHGRYWMTTL-DOTOQJQBSA-N 0 3 304.434 3.053 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](COCC)C2)cc1 ZINC000093419269 431914438 /nfs/dbraw/zinc/91/44/38/431914438.db2.gz XJRYXTROWCHRKC-GOSISDBHSA-N 0 3 301.430 3.337 20 30 DGEDHN C[C@@H]1SCCN(Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC000093501205 431916269 /nfs/dbraw/zinc/91/62/69/431916269.db2.gz PVPMHNSOXPQHMP-GJZGRUSLSA-N 0 3 303.475 3.362 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1OC ZINC000093506390 431916298 /nfs/dbraw/zinc/91/62/98/431916298.db2.gz XPYYORHLRSJCBI-SJORKVTESA-N 0 3 317.429 3.261 20 30 DGEDHN CC[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000125352992 431922719 /nfs/dbraw/zinc/92/27/19/431922719.db2.gz MGRPJQQQWRVJFB-GJZGRUSLSA-N 0 3 317.408 3.193 20 30 DGEDHN CC(=O)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)n(C)c1 ZINC000048852137 431933126 /nfs/dbraw/zinc/93/31/26/431933126.db2.gz DHPHEPUSZMEVND-HNNXBMFYSA-N 0 3 317.348 3.266 20 30 DGEDHN N#CCc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000048813714 431933175 /nfs/dbraw/zinc/93/31/75/431933175.db2.gz OXHSTXNONRRTGG-CQSZACIVSA-N 0 3 300.321 3.119 20 30 DGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000125965208 431939827 /nfs/dbraw/zinc/93/98/27/431939827.db2.gz HHTNVTOGDWXDBP-CQSZACIVSA-N 0 3 322.424 3.079 20 30 DGEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(C#N)cc1F ZINC000270677682 432275757 /nfs/dbraw/zinc/27/57/57/432275757.db2.gz RXZUNFMAUBVGQA-KZULUSFZSA-N 0 3 316.351 3.438 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000183290827 432279084 /nfs/dbraw/zinc/27/90/84/432279084.db2.gz VDRHTFXJHPYJMA-CZUORRHYSA-N 0 3 315.417 3.218 20 30 DGEDHN CCC1(CO)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000270902549 432300224 /nfs/dbraw/zinc/30/02/24/432300224.db2.gz OUQXTUCNQQSOPX-UHFFFAOYSA-N 0 3 300.446 3.472 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cnc(C)nc1C)C(C)C ZINC000152068463 432301824 /nfs/dbraw/zinc/30/18/24/432301824.db2.gz SZRRRKJVHDKXIS-DNVCBOLYSA-N 0 3 316.493 3.443 20 30 DGEDHN N#CC1CCN(Cc2ccccc2CN2CCC(C#N)CC2)CC1 ZINC000057872698 431994233 /nfs/dbraw/zinc/99/42/33/431994233.db2.gz RBAKSDFLOMTKPE-UHFFFAOYSA-N 0 3 322.456 3.158 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000058452546 431996577 /nfs/dbraw/zinc/99/65/77/431996577.db2.gz FEKBEELCQVLZJM-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000058451757 431996659 /nfs/dbraw/zinc/99/66/59/431996659.db2.gz LVFXLJANYWSDLU-UHFFFAOYSA-N 0 3 322.412 3.120 20 30 DGEDHN C=CCOc1ccccc1CNC1CCN(CC(F)F)CC1 ZINC000060970710 432000804 /nfs/dbraw/zinc/00/08/04/432000804.db2.gz STLOCWUHCQPGRF-UHFFFAOYSA-N 0 3 310.388 3.071 20 30 DGEDHN N#CC(CCN(CCO)C1CC1)(c1ccccc1)c1ccccc1 ZINC000191439138 432265831 /nfs/dbraw/zinc/26/58/31/432265831.db2.gz WGHXWZCLUCEXLX-UHFFFAOYSA-N 0 3 320.436 3.343 20 30 DGEDHN CN(CCC(=O)N(C)CCC#N)Cc1ccc2ccccc2c1 ZINC000270627823 432268266 /nfs/dbraw/zinc/26/82/66/432268266.db2.gz FSYJVGSDQSSYPY-UHFFFAOYSA-N 0 3 309.413 3.034 20 30 DGEDHN C#CCN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000191959635 432317826 /nfs/dbraw/zinc/31/78/26/432317826.db2.gz SAMBGHQJLHWUDR-FUHWJXTLSA-N 0 3 309.409 3.095 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H](COC)C2)ccc1OC ZINC000271185188 432346367 /nfs/dbraw/zinc/34/63/67/432346367.db2.gz NGHICYFTTFEYMK-INIZCTEOSA-N 0 3 305.418 3.118 20 30 DGEDHN C=CCOc1cccc(CNC[C@](C)(O)c2cccs2)c1 ZINC000153041755 432378301 /nfs/dbraw/zinc/37/83/01/432378301.db2.gz ZEIZHLRQVFBMPM-KRWDZBQOSA-N 0 3 303.427 3.310 20 30 DGEDHN N#CC1(NC(=O)CN[C@@H](c2ccccc2)C2CC2)CCCCC1 ZINC000192504719 432382117 /nfs/dbraw/zinc/38/21/17/432382117.db2.gz ZQOAXGKMJGOJFE-SFHVURJKSA-N 0 3 311.429 3.070 20 30 DGEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000271468645 432402815 /nfs/dbraw/zinc/40/28/15/432402815.db2.gz LIJLIYRYJYPFLS-SFHVURJKSA-N 0 3 308.381 3.375 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C\c2ccccc2F)CC1 ZINC000254990767 432405795 /nfs/dbraw/zinc/40/57/95/432405795.db2.gz BLIQYFMSFFOXPS-ALCCZGGFSA-N 0 3 316.420 3.386 20 30 DGEDHN N#Cc1csc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000184790678 432432974 /nfs/dbraw/zinc/43/29/74/432432974.db2.gz HZUYVGACYUBVNB-SFHVURJKSA-N 0 3 312.438 3.393 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000271758036 432423717 /nfs/dbraw/zinc/42/37/17/432423717.db2.gz UYHPLSCAQPPKBP-SJLPKXTDSA-N 0 3 313.445 3.292 20 30 DGEDHN N#CCOc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000271790895 432424703 /nfs/dbraw/zinc/42/47/03/432424703.db2.gz NJLYHHZMABVGGG-IBGZPJMESA-N 0 3 310.397 3.192 20 30 DGEDHN C=CCC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000271758029 432424774 /nfs/dbraw/zinc/42/47/74/432424774.db2.gz UYHPLSCAQPPKBP-AEFFLSMTSA-N 0 3 313.445 3.292 20 30 DGEDHN Cc1cccc([C@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271868276 432426144 /nfs/dbraw/zinc/42/61/44/432426144.db2.gz MBPISQZLFVNVNN-DNVCBOLYSA-N 0 3 310.397 3.282 20 30 DGEDHN COc1cc(O)c(CNC2(c3cccc(C#N)c3)CC2)cc1OC ZINC000271871970 432426751 /nfs/dbraw/zinc/42/67/51/432426751.db2.gz XYJOFSWCPDFXDY-UHFFFAOYSA-N 0 3 324.380 3.060 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000175978850 432483482 /nfs/dbraw/zinc/48/34/82/432483482.db2.gz AYCHVCLYOMNPAT-CYBMUJFWSA-N 0 3 301.777 3.173 20 30 DGEDHN CCCCNC(=O)C1(NCc2ccc(C#N)s2)CCCCC1 ZINC000154638236 432511192 /nfs/dbraw/zinc/51/11/92/432511192.db2.gz LABDIFKCDPXJKD-UHFFFAOYSA-N 0 3 319.474 3.329 20 30 DGEDHN N#CC(C(=O)c1cccnc1)c1nc2ccccc2n1C(F)F ZINC000193286218 432462984 /nfs/dbraw/zinc/46/29/84/432462984.db2.gz QWVHQTLBJYLZSB-NSHDSACASA-N 0 3 312.279 3.316 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000176497871 432530077 /nfs/dbraw/zinc/53/00/77/432530077.db2.gz NWEZFCAIUPGXLC-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000176499751 432530132 /nfs/dbraw/zinc/53/01/32/432530132.db2.gz PCJWSFZZUPMMHF-JKSUJKDBSA-N 0 3 307.482 3.247 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1cnc2ccccn12 ZINC000194235647 432534583 /nfs/dbraw/zinc/53/45/83/432534583.db2.gz DRYZIBWGJSLDRM-UHFFFAOYSA-N 0 3 322.437 3.229 20 30 DGEDHN Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000185845293 432538658 /nfs/dbraw/zinc/53/86/58/432538658.db2.gz NHUCPCLYWNKXNN-BQFCYCMXSA-N 0 3 311.429 3.162 20 30 DGEDHN COCCOc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185863437 432539169 /nfs/dbraw/zinc/53/91/69/432539169.db2.gz MKORPVUFFCOFCI-WBVHZDCISA-N 0 3 302.418 3.192 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000185858165 432539428 /nfs/dbraw/zinc/53/94/28/432539428.db2.gz VXWCWXGTGPTCKS-PWSUYJOCSA-N 0 3 314.216 3.439 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1oc(C)cc1C)C(C)C ZINC000176662643 432542294 /nfs/dbraw/zinc/54/22/94/432542294.db2.gz AHZXMBVNOQZVNM-MRXNPFEDSA-N 0 3 304.434 3.325 20 30 DGEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000273041206 432542510 /nfs/dbraw/zinc/54/25/10/432542510.db2.gz AOWLTXTXCNALSG-RTBURBONSA-N 0 3 317.429 3.307 20 30 DGEDHN CC[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)s1 ZINC000273533082 432607858 /nfs/dbraw/zinc/60/78/58/432607858.db2.gz TXUABHMXQPQCAU-NSHDSACASA-N 0 3 313.854 3.204 20 30 DGEDHN C#CCOc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cc1 ZINC000177358528 432615185 /nfs/dbraw/zinc/61/51/85/432615185.db2.gz PJTKXEJGXQSXRB-UHFFFAOYSA-N 0 3 322.408 3.321 20 30 DGEDHN N#Cc1ccc(CNCc2ccccc2Cn2cccn2)s1 ZINC000176943756 432567505 /nfs/dbraw/zinc/56/75/05/432567505.db2.gz XJQJPICUKWHIGX-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)s1)c1ccco1 ZINC000176958100 432568862 /nfs/dbraw/zinc/56/88/62/432568862.db2.gz QFHDIULKKGNHSB-HNNXBMFYSA-N 0 3 303.431 3.385 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000155716313 432569370 /nfs/dbraw/zinc/56/93/70/432569370.db2.gz XXMLDUGKHXKTSF-CYBMUJFWSA-N 0 3 319.286 3.024 20 30 DGEDHN C=CCCC[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186233797 432571207 /nfs/dbraw/zinc/57/12/07/432571207.db2.gz YHSYSRGRQUAZBR-HZPDHXFCSA-N 0 3 309.475 3.492 20 30 DGEDHN CN(C)[C@H](CNc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000263757249 432574770 /nfs/dbraw/zinc/57/47/70/432574770.db2.gz HKWBYYIJIHDRLA-OAHLLOKOSA-N 0 3 300.793 3.321 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000186308965 432582068 /nfs/dbraw/zinc/58/20/68/432582068.db2.gz DZPPRZSFCKPGAX-SFHVURJKSA-N 0 3 323.444 3.419 20 30 DGEDHN Cc1sc(NC(=O)CN(C)C(C2CC2)C2CC2)c(C#N)c1C ZINC000177083623 432583314 /nfs/dbraw/zinc/58/33/14/432583314.db2.gz IRMTZQIDJLHDSK-UHFFFAOYSA-N 0 3 317.458 3.296 20 30 DGEDHN N#Cc1nc(NC[C@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000264453000 432647917 /nfs/dbraw/zinc/64/79/17/432647917.db2.gz WAZVAIYKRKHFSI-CQSZACIVSA-N 0 3 316.792 3.449 20 30 DGEDHN CCOCCOCc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000274167591 432636755 /nfs/dbraw/zinc/63/67/55/432636755.db2.gz ARVHOBFPRZYRHZ-LPHOPBHVSA-N 0 3 316.445 3.412 20 30 DGEDHN N#Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000274214295 432640092 /nfs/dbraw/zinc/64/00/92/432640092.db2.gz LXGRIZHDNAVDED-KRWDZBQOSA-N 0 3 322.368 3.153 20 30 DGEDHN N#Cc1csc(CNC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000177702023 432652760 /nfs/dbraw/zinc/65/27/60/432652760.db2.gz WHOHEAAJLHIWRO-QGZVFWFLSA-N 0 3 311.454 3.374 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274344016 432654743 /nfs/dbraw/zinc/65/47/43/432654743.db2.gz NEZRKZCFDISIMZ-MJGOQNOKSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000187372967 432660860 /nfs/dbraw/zinc/66/08/60/432660860.db2.gz GXKPTVPFURPQDR-UHFFFAOYSA-N 0 3 306.356 3.082 20 30 DGEDHN C=CCOc1ccccc1CN1CCC(CC(=O)OCC)CC1 ZINC000159071897 432667663 /nfs/dbraw/zinc/66/76/63/432667663.db2.gz NMOHHBNOXWMMNQ-UHFFFAOYSA-N 0 3 317.429 3.417 20 30 DGEDHN C[C@@H](NC(=O)c1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000274679593 432697150 /nfs/dbraw/zinc/69/71/50/432697150.db2.gz ZTIPFQCKYQKYOI-BEFAXECRSA-N 0 3 321.424 3.174 20 30 DGEDHN C=C[C@H](CC(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1 ZINC000187999447 432698760 /nfs/dbraw/zinc/69/87/60/432698760.db2.gz BVLXYZPEUOUXEV-MRXNPFEDSA-N 0 3 300.446 3.289 20 30 DGEDHN CCN(CCCNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000226265627 432704027 /nfs/dbraw/zinc/70/40/27/432704027.db2.gz QXBJVZAIDSCEFF-UHFFFAOYSA-N 0 3 323.462 3.356 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](C)C1 ZINC000227172525 432709489 /nfs/dbraw/zinc/70/94/89/432709489.db2.gz OGERCHWARVMTNO-NDUQDZPOSA-N 0 3 305.466 3.038 20 30 DGEDHN CCN(CC(=O)NCc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000160238746 432712580 /nfs/dbraw/zinc/71/25/80/432712580.db2.gz AHEWPKJVHURTHP-UHFFFAOYSA-N 0 3 319.424 3.094 20 30 DGEDHN C=C(C)CN1CCC(Nc2ccncc2Br)CC1 ZINC000274817950 432713285 /nfs/dbraw/zinc/71/32/85/432713285.db2.gz OVCZXXAQHWIIKX-UHFFFAOYSA-N 0 3 310.239 3.297 20 30 DGEDHN C=CCCOCCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000229879832 432723356 /nfs/dbraw/zinc/72/33/56/432723356.db2.gz IYLHOAOLWZBNPH-UHFFFAOYSA-N 0 3 311.809 3.184 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000265197387 432674309 /nfs/dbraw/zinc/67/43/09/432674309.db2.gz PEWJRBAVAROFFN-IUODEOHRSA-N 0 3 311.410 3.076 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000223328467 432675607 /nfs/dbraw/zinc/67/56/07/432675607.db2.gz QFYSULZSHPHNAF-OLZOCXBDSA-N 0 3 303.406 3.122 20 30 DGEDHN C[C@@H]1CCN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000266192797 432753831 /nfs/dbraw/zinc/75/38/31/432753831.db2.gz GRPCVZQHBJVXJV-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN CCOC(C)(C)CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000275874732 432757222 /nfs/dbraw/zinc/75/72/22/432757222.db2.gz VXZMBEHECKUQNB-UHFFFAOYSA-N 0 3 320.433 3.282 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](CO)Cc2cccc(C)c2)c1 ZINC000189025507 432759434 /nfs/dbraw/zinc/75/94/34/432759434.db2.gz SRHMOWGFBNMLIK-LJQANCHMSA-N 0 3 311.425 3.253 20 30 DGEDHN Cc1ccc(C#N)c(NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000161451354 432779712 /nfs/dbraw/zinc/77/97/12/432779712.db2.gz UPXDBSMZMOFNFQ-GOSISDBHSA-N 0 3 306.413 3.338 20 30 DGEDHN COc1ccc(CNC[C@H]2CCCCO2)cc1OCCCC#N ZINC000237201828 432781094 /nfs/dbraw/zinc/78/10/94/432781094.db2.gz CGIKEHOZMJYZQD-MRXNPFEDSA-N 0 3 318.417 3.036 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(C#N)cn1 ZINC000265833486 432738160 /nfs/dbraw/zinc/73/81/60/432738160.db2.gz LIGQPIPKSISKNW-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@H](O)c1c(F)cccc1F ZINC000267229743 432824132 /nfs/dbraw/zinc/82/41/32/432824132.db2.gz VMRYXNPLBAJNGJ-ZBFHGGJFSA-N 0 3 322.380 3.500 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C)[C@H](C)C1 ZINC000267614937 432836365 /nfs/dbraw/zinc/83/63/65/432836365.db2.gz CCLZACHWKQYWGV-KFWWJZLASA-N 0 3 317.408 3.049 20 30 DGEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000189487756 432790774 /nfs/dbraw/zinc/79/07/74/432790774.db2.gz FPMDEYPPBZRZME-HZPDHXFCSA-N 0 3 317.458 3.151 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000237846982 432801320 /nfs/dbraw/zinc/80/13/20/432801320.db2.gz MLEAYZSYCRSXQG-HXUWFJFHSA-N 0 3 322.408 3.406 20 30 DGEDHN COc1ccc(CNC2CC(F)(F)C2)cc1OCCCC#N ZINC000277602130 432864452 /nfs/dbraw/zinc/86/44/52/432864452.db2.gz ISDVOBAUYFTTLC-UHFFFAOYSA-N 0 3 310.344 3.265 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000246010293 432874695 /nfs/dbraw/zinc/87/46/95/432874695.db2.gz KVXBLEWENUROOZ-ZWKOTPCHSA-N 0 3 307.409 3.134 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC34CCCC4)C2=O)cc1 ZINC000329928941 432883744 /nfs/dbraw/zinc/88/37/44/432883744.db2.gz MYXMWAUQRNXSKL-ZWKOTPCHSA-N 0 3 323.440 3.366 20 30 DGEDHN Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329938782 432884682 /nfs/dbraw/zinc/88/46/82/432884682.db2.gz FFUSYEHTNPJGJP-BLLLJJGKSA-N 0 3 318.465 3.114 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000288191255 432889928 /nfs/dbraw/zinc/88/99/28/432889928.db2.gz CBMNAIZWVFOHGN-WDSOQIARSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C[C@@H](CC(=O)NCCN1CCC[C@H](C)C1)c1ccccc1 ZINC000245610951 432848925 /nfs/dbraw/zinc/84/89/25/432848925.db2.gz BMDNIWRFHUBJDY-IRXDYDNUSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000245702373 432857186 /nfs/dbraw/zinc/85/71/86/432857186.db2.gz BPFMGRTYHVJQAQ-XYJFISCASA-N 0 3 322.493 3.005 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000245724418 432859354 /nfs/dbraw/zinc/85/93/54/432859354.db2.gz DQDJKTXGDNSWMZ-FRQCXROJSA-N 0 3 324.428 3.257 20 30 DGEDHN COC(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2Cl)CC1 ZINC000279048092 432929530 /nfs/dbraw/zinc/92/95/30/432929530.db2.gz JYGPBKMEOCREOU-LLVKDONJSA-N 0 3 321.808 3.093 20 30 DGEDHN N#Cc1cccc(OCCN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289353307 432948543 /nfs/dbraw/zinc/94/85/43/432948543.db2.gz NFZDEGVNFJYRCN-GOSISDBHSA-N 0 3 307.397 3.212 20 30 DGEDHN CO[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)Cc1ccccc1 ZINC000296329259 432896734 /nfs/dbraw/zinc/89/67/34/432896734.db2.gz PDHMHRFVVJDECU-JXFKEZNVSA-N 0 3 324.424 3.497 20 30 DGEDHN Cc1noc(C[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc2)n1 ZINC000278717482 432898822 /nfs/dbraw/zinc/89/88/22/432898822.db2.gz MAGGKJZVTYNSAT-UAGQMJEPSA-N 0 3 310.401 3.334 20 30 DGEDHN N#Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000278814967 432904219 /nfs/dbraw/zinc/90/42/19/432904219.db2.gz GYMLTSQJCYALNC-UHFFFAOYSA-N 0 3 320.440 3.471 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000330625993 432920057 /nfs/dbraw/zinc/92/00/57/432920057.db2.gz UQNRGNZXQRQBJZ-UHFFFAOYSA-N 0 3 303.381 3.124 20 30 DGEDHN COc1ccc([C@H](CN(C)C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000341241063 433001987 /nfs/dbraw/zinc/00/19/87/433001987.db2.gz WSIDZAZOTSLLLK-FQEVSTJZSA-N 0 3 323.440 3.268 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000289672945 432970874 /nfs/dbraw/zinc/97/08/74/432970874.db2.gz HHGGFRLCOHGXKJ-GXSJLCMTSA-N 0 3 303.374 3.207 20 30 DGEDHN C=C[C@H](CO)N[C@H]1CCc2c1cc(Br)cc2Cl ZINC000289726524 432972432 /nfs/dbraw/zinc/97/24/32/432972432.db2.gz JWXHIRHYLXSIIR-RNCFNFMXSA-N 0 3 316.626 3.226 20 30 DGEDHN COc1cccc([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000341213017 432993077 /nfs/dbraw/zinc/99/30/77/432993077.db2.gz QYOJVOUCUUKYQG-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN CCC1(CC)CN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000297484334 432995674 /nfs/dbraw/zinc/99/56/74/432995674.db2.gz SMQRIRBDIUHFPH-UHFFFAOYSA-N 0 3 323.444 3.481 20 30 DGEDHN C[C@@]1(O)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000279888559 432998310 /nfs/dbraw/zinc/99/83/10/432998310.db2.gz CVOKIYCTAAWATE-MRXNPFEDSA-N 0 3 311.347 3.294 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000297591167 432998733 /nfs/dbraw/zinc/99/87/33/432998733.db2.gz FKFXSHRBXNGWRA-NVXWUHKLSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCN1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297034545 432951636 /nfs/dbraw/zinc/95/16/36/432951636.db2.gz HNUUNEMHTORJKS-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2=CCCCC2)cc1 ZINC000279344797 432957342 /nfs/dbraw/zinc/95/73/42/432957342.db2.gz IQZSVBBMVMSYMI-SFHVURJKSA-N 0 3 307.397 3.247 20 30 DGEDHN C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCC[C@H](C)C1 ZINC000349879067 433028114 /nfs/dbraw/zinc/02/81/14/433028114.db2.gz WSADLJJQAIODPN-STQMWFEESA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333176497 433037801 /nfs/dbraw/zinc/03/78/01/433037801.db2.gz LNZRPSVWQJGJJR-KXBFYZLASA-N 0 3 317.477 3.087 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1cccs1 ZINC000298079890 433047420 /nfs/dbraw/zinc/04/74/20/433047420.db2.gz ISUXRYXHMIUGDT-OAHLLOKOSA-N 0 3 303.406 3.151 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]3C3CCC3)o2)c1 ZINC000333499069 433061109 /nfs/dbraw/zinc/06/11/09/433061109.db2.gz NTKIEOITWHUHHY-MRXNPFEDSA-N 0 3 308.385 3.373 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C2CC2)C1 ZINC000344014819 289257689 /nfs/dbraw/zinc/25/76/89/289257689.db2.gz DBNHCPCEEAZTDS-NVXWUHKLSA-N 0 3 311.429 3.054 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000425002069 433068695 /nfs/dbraw/zinc/06/86/95/433068695.db2.gz FLYHMUMBEAIJHJ-RBUKOAKNSA-N 0 3 324.468 3.466 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453336150 433098947 /nfs/dbraw/zinc/09/89/47/433098947.db2.gz ATPQSYUOXHWFES-RYUDHWBXSA-N 0 3 313.825 3.335 20 30 DGEDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000298401509 433122400 /nfs/dbraw/zinc/12/24/00/433122400.db2.gz JKYQXHHQXIMPSS-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN CCC[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000341551782 433127160 /nfs/dbraw/zinc/12/71/60/433127160.db2.gz GDJUSBVYHUUUOG-SJLPKXTDSA-N 0 3 311.429 3.176 20 30 DGEDHN CCc1ccccc1[C@@H](N)CNc1cc(C(C)=O)ccc1C#N ZINC000420289572 433150667 /nfs/dbraw/zinc/15/06/67/433150667.db2.gz ZOZPQDULNRSQDQ-SFHVURJKSA-N 0 3 307.397 3.435 20 30 DGEDHN C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000425119927 433102241 /nfs/dbraw/zinc/10/22/41/433102241.db2.gz AKQVEGVEFCWGRG-HOTGVXAUSA-N 0 3 313.445 3.342 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2ccccn2)n1 ZINC000280616936 433107849 /nfs/dbraw/zinc/10/78/49/433107849.db2.gz KOBJNMQWSHQHEB-CZUORRHYSA-N 0 3 315.442 3.276 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290591872 433108841 /nfs/dbraw/zinc/10/88/41/433108841.db2.gz QVOMPHQCEXDLHO-QGZVFWFLSA-N 0 3 304.409 3.313 20 30 DGEDHN C=C(CC)CN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000453352277 433111365 /nfs/dbraw/zinc/11/13/65/433111365.db2.gz ITPOTPATHPHEOA-DLBZAZTESA-N 0 3 308.853 3.268 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Br)o1 ZINC000280618869 433111640 /nfs/dbraw/zinc/11/16/40/433111640.db2.gz KURJSPGWAYBFMS-GXFFZTMASA-N 0 3 300.196 3.113 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000412242819 433119919 /nfs/dbraw/zinc/11/99/19/433119919.db2.gz DTMZBZGPBKDZFP-OAGGEKHMSA-N 0 3 304.434 3.098 20 30 DGEDHN C=CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374092924 433174717 /nfs/dbraw/zinc/17/47/17/433174717.db2.gz LGVCEGKUTFRMHT-HXUWFJFHSA-N 0 3 312.457 3.467 20 30 DGEDHN C[C@@H]1CN(c2ccccc2CNCc2cccc(C#N)c2)CCO1 ZINC000298567854 433180889 /nfs/dbraw/zinc/18/08/89/433180889.db2.gz WSRKHBHAIODTLO-MRXNPFEDSA-N 0 3 321.424 3.073 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](CCCC)c2ccc(OC)cc2)C1=O ZINC000337183101 433210261 /nfs/dbraw/zinc/21/02/61/433210261.db2.gz NKDGEPZNRVNDAC-QZTJIDSGSA-N 0 3 316.445 3.303 20 30 DGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000361469745 433187473 /nfs/dbraw/zinc/18/74/73/433187473.db2.gz NIEDKPUKDUVVJQ-KRWDZBQOSA-N 0 3 313.445 3.444 20 30 DGEDHN CCN(CC1CCC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000361480156 433197329 /nfs/dbraw/zinc/19/73/29/433197329.db2.gz BTDCHRZDSOJYMK-INIZCTEOSA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)nnn2C ZINC000425365839 433203841 /nfs/dbraw/zinc/20/38/41/433203841.db2.gz NGUOBPVIJPMSLK-CYBMUJFWSA-N 0 3 305.385 3.033 20 30 DGEDHN CC[C@H](NCCC(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000447530807 433216285 /nfs/dbraw/zinc/21/62/85/433216285.db2.gz OYXUKPLIPYHBTJ-IBGZPJMESA-N 0 3 321.424 3.305 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1sccc1C#N ZINC000354726779 433238511 /nfs/dbraw/zinc/23/85/11/433238511.db2.gz VIHDKAUCUFXDAT-UHFFFAOYSA-N 0 3 319.474 3.204 20 30 DGEDHN CC(C)[C@H](NCc1ccc(C#N)cc1F)C1(CO)CCCC1 ZINC000453624157 433246812 /nfs/dbraw/zinc/24/68/12/433246812.db2.gz XKCFEJLLGFMPON-KRWDZBQOSA-N 0 3 304.409 3.364 20 30 DGEDHN C[C@H]1CC[C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)O1 ZINC000453627168 433251371 /nfs/dbraw/zinc/25/13/71/433251371.db2.gz HVJUIRMKLVPUIS-MAUKXSAKSA-N 0 3 324.428 3.121 20 30 DGEDHN CC[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000281135446 433266078 /nfs/dbraw/zinc/26/60/78/433266078.db2.gz DJEJGWUBEWFMAW-GOSISDBHSA-N 0 3 301.434 3.037 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413904537 433314940 /nfs/dbraw/zinc/31/49/40/433314940.db2.gz UFIZEDYRUUOQTA-QGZVFWFLSA-N 0 3 308.397 3.307 20 30 DGEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@H]2C[C@@H](O)C2)cc1 ZINC000420929664 433322283 /nfs/dbraw/zinc/32/22/83/433322283.db2.gz CUVVMXWSJOVSGE-PUZFROQSSA-N 0 3 324.399 3.470 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N3C[C@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000338794344 433324031 /nfs/dbraw/zinc/32/40/31/433324031.db2.gz LPCBQVKCGCMYCB-GJZGRUSLSA-N 0 3 308.429 3.252 20 30 DGEDHN COCC1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000413953913 433325131 /nfs/dbraw/zinc/32/51/31/433325131.db2.gz KKDMEMJONDBEHU-ADKAHSJRSA-N 0 3 314.429 3.080 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H]1OCCc2sccc21 ZINC000291713743 433325242 /nfs/dbraw/zinc/32/52/42/433325242.db2.gz LPRAQBRCKPQMFM-MEBBXXQBSA-N 0 3 304.440 3.473 20 30 DGEDHN C=CC[C@@H]1N(C(=O)C2CCN(C3CC3)CC2)CCCC1(C)C ZINC000338889266 433325654 /nfs/dbraw/zinc/32/56/54/433325654.db2.gz XITQITBDZTXFSM-KRWDZBQOSA-N 0 3 304.478 3.454 20 30 DGEDHN Fc1ccc(C#CCN2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425559921 433303130 /nfs/dbraw/zinc/30/31/30/433303130.db2.gz ZXTOWEVHHPOKLY-LJQANCHMSA-N 0 3 313.416 3.458 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](OC)c1ccccc1 ZINC000338545710 433303406 /nfs/dbraw/zinc/30/34/06/433303406.db2.gz IVQWPJYIAURSOT-FQEVSTJZSA-N 0 3 324.424 3.394 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000281498299 433305808 /nfs/dbraw/zinc/30/58/08/433305808.db2.gz WMGVIRNANAUVKO-HNNXBMFYSA-N 0 3 319.449 3.240 20 30 DGEDHN CCN(Cc1cccc(C(N)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299085320 433312728 /nfs/dbraw/zinc/31/27/28/433312728.db2.gz SCOIMEZIDGIVSY-AWEZNQCLSA-N 0 3 307.397 3.240 20 30 DGEDHN C#CCCN(CCCn1ccnc1)Cc1ccccc1OCC ZINC000299235444 433354636 /nfs/dbraw/zinc/35/46/36/433354636.db2.gz SBYVXAOFGOVXRK-UHFFFAOYSA-N 0 3 311.429 3.197 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291814715 433360696 /nfs/dbraw/zinc/36/06/96/433360696.db2.gz NPTOWIGYTGZOMZ-OXQOHEQNSA-N 0 3 306.409 3.255 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447997105 433343902 /nfs/dbraw/zinc/34/39/02/433343902.db2.gz BVPFDTPQUIHUIK-INIZCTEOSA-N 0 3 314.433 3.109 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1COc2ccccc21 ZINC000426144777 433429437 /nfs/dbraw/zinc/42/94/37/433429437.db2.gz WMWMDMIGNHMINL-SJORKVTESA-N 0 3 320.392 3.051 20 30 DGEDHN COCC1(C#N)CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000341976967 433391794 /nfs/dbraw/zinc/39/17/94/433391794.db2.gz LNTZGTCZKLJGCE-KRWDZBQOSA-N 0 3 302.393 3.455 20 30 DGEDHN COc1cc(CNCc2ccc(C(C)(C)O)cc2)ccc1C#N ZINC000281852062 433406516 /nfs/dbraw/zinc/40/65/16/433406516.db2.gz ZFQWVIOEUIZINK-UHFFFAOYSA-N 0 3 310.397 3.084 20 30 DGEDHN Cc1n[nH]cc1C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000375364883 433440314 /nfs/dbraw/zinc/44/03/14/433440314.db2.gz ZBZIHOAXWBXUMA-UHFFFAOYSA-N 0 3 324.428 3.238 20 30 DGEDHN N#Cc1nc(NCCN2CCc3ccccc3C2)ccc1Cl ZINC000301183646 433443682 /nfs/dbraw/zinc/44/36/82/433443682.db2.gz QHOIHYMZRWNTDK-UHFFFAOYSA-N 0 3 312.804 3.077 20 30 DGEDHN C[C@@H]1C[C@H](N(C)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000339222358 433450039 /nfs/dbraw/zinc/45/00/39/433450039.db2.gz YKIACBGGBMRPPA-VQIMIIECSA-N 0 3 320.440 3.443 20 30 DGEDHN CCn1ccnc1[C@H](N[C@H]1CCC[C@@H](C#N)C1)C1CCOCC1 ZINC000375419368 433458992 /nfs/dbraw/zinc/45/89/92/433458992.db2.gz GRWBIZBSEWUVOS-HYVNUMGLSA-N 0 3 316.449 3.043 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2(CC=C)CCCC2)CC1 ZINC000454545462 433474891 /nfs/dbraw/zinc/47/48/91/433474891.db2.gz NDTXGBFMCJQLAQ-UHFFFAOYSA-N 0 3 305.466 3.073 20 30 DGEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000421326376 433475811 /nfs/dbraw/zinc/47/58/11/433475811.db2.gz NUJAKWHNVWVEOJ-KRWDZBQOSA-N 0 3 315.392 3.463 20 30 DGEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1 ZINC000292156212 433484507 /nfs/dbraw/zinc/48/45/07/433484507.db2.gz KNTHZASDFGBQCS-KXBFYZLASA-N 0 3 313.445 3.266 20 30 DGEDHN COc1ccc(O[C@H](C)CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421370183 433516472 /nfs/dbraw/zinc/51/64/72/433516472.db2.gz WQDRLDUGQSDNFX-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN CCN(CCNCc1ccc(C#N)c(F)c1)CCC(F)(F)F ZINC000421382988 433528130 /nfs/dbraw/zinc/52/81/30/433528130.db2.gz JJQIGWYUKMZZBS-UHFFFAOYSA-N 0 3 317.330 3.061 20 30 DGEDHN C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000414304340 433529250 /nfs/dbraw/zinc/52/92/50/433529250.db2.gz XTXXKODGOYTXKU-MLGOLLRUSA-N 0 3 316.351 3.263 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000421354472 433496433 /nfs/dbraw/zinc/49/64/33/433496433.db2.gz HQXCLYLYVPFCPU-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H](C)C[C@H](CO)C2)cc1Cl ZINC000421360614 433507585 /nfs/dbraw/zinc/50/75/85/433507585.db2.gz JFHRKGVRXPUXPB-ZFWWWQNUSA-N 0 3 309.837 3.355 20 30 DGEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000355634681 433552296 /nfs/dbraw/zinc/55/22/96/433552296.db2.gz HIIILZNNVRFEBG-LBPRGKRZSA-N 0 3 314.216 3.016 20 30 DGEDHN N#Cc1cc(CN2CCC[C@]2(CO)Cc2ccccc2)ccc1F ZINC000355673360 433554372 /nfs/dbraw/zinc/55/43/72/433554372.db2.gz PWPWUMUEEOOSCF-HXUWFJFHSA-N 0 3 324.399 3.267 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](CCO)CC2)cc1OC ZINC000421404951 433554884 /nfs/dbraw/zinc/55/48/84/433554884.db2.gz ZULLNMMYDUNVBB-MRXNPFEDSA-N 0 3 319.445 3.245 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000456006980 433561674 /nfs/dbraw/zinc/56/16/74/433561674.db2.gz QYURSYKENRAQDO-DZGCQCFKSA-N 0 3 314.433 3.109 20 30 DGEDHN Cn1cc(CN[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000342256914 433566867 /nfs/dbraw/zinc/56/68/67/433566867.db2.gz XJZKJXRUSMWVKV-MSOLQXFVSA-N 0 3 309.413 3.232 20 30 DGEDHN Cc1nsc(NC[C@@H](C)N(C)Cc2ccccc2)c1C#N ZINC000342223744 433546603 /nfs/dbraw/zinc/54/66/03/433546603.db2.gz NCVCAOOVKKKYAS-GFCCVEGCSA-N 0 3 300.431 3.256 20 30 DGEDHN CC[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(C#N)cc1 ZINC000375723169 433546789 /nfs/dbraw/zinc/54/67/89/433546789.db2.gz DAEWGWYCLODTQQ-LJQANCHMSA-N 0 3 317.396 3.380 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000427067555 433645591 /nfs/dbraw/zinc/64/55/91/433645591.db2.gz PWSWBESOTHKSKY-GOSISDBHSA-N 0 3 300.446 3.291 20 30 DGEDHN CCc1nnc(N[C@H](C)CN2CCC[C@H](C)C2)c(C#N)c1CC ZINC000301622994 433645827 /nfs/dbraw/zinc/64/58/27/433645827.db2.gz OHYSMLBJEDMDEQ-UONOGXRCSA-N 0 3 315.465 3.005 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000293187242 433647372 /nfs/dbraw/zinc/64/73/72/433647372.db2.gz YTTLEQWSCPXJBE-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000339464484 433598745 /nfs/dbraw/zinc/59/87/45/433598745.db2.gz YSPLHAIAHMGOGP-CYBMUJFWSA-N 0 3 323.375 3.072 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000448921406 433614261 /nfs/dbraw/zinc/61/42/61/433614261.db2.gz MOXKHGCDLIFDEG-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN COc1ccc(CNc2ccc(CN(C)C)cc2F)cc1C#N ZINC000414491679 433662360 /nfs/dbraw/zinc/66/23/60/433662360.db2.gz UWPNWPUQOMSUGH-UHFFFAOYSA-N 0 3 313.376 3.380 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000362389351 433682733 /nfs/dbraw/zinc/68/27/33/433682733.db2.gz OGKZEAIMKVCKAX-OAHLLOKOSA-N 0 3 318.486 3.426 20 30 DGEDHN C=CCc1cc(CNCC(C)(C)OCC2CC2)cc(OC)c1O ZINC000414519305 433685108 /nfs/dbraw/zinc/68/51/08/433685108.db2.gz XLFQHTNDMSHDSO-UHFFFAOYSA-N 0 3 319.445 3.424 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000366907612 293003380 /nfs/dbraw/zinc/00/33/80/293003380.db2.gz BUSNYNZLRQFSGX-KZNAEPCWSA-N 0 3 302.393 3.213 20 30 DGEDHN CCc1nnc(NC[C@H](c2ccccc2)N(C)C)c(C#N)c1CC ZINC000301637710 433651519 /nfs/dbraw/zinc/65/15/19/433651519.db2.gz XLISWQDYWXRPPU-GOSISDBHSA-N 0 3 323.444 3.188 20 30 DGEDHN CC(C)(C)SCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000283265501 433700275 /nfs/dbraw/zinc/70/02/75/433700275.db2.gz FKOMKLZUPUNVMB-NBVRZTHBSA-N 0 3 322.474 3.405 20 30 DGEDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000356802452 433705003 /nfs/dbraw/zinc/70/50/03/433705003.db2.gz IBNLCHBTBBGHNP-QGZVFWFLSA-N 0 3 313.445 3.090 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000427518692 433721536 /nfs/dbraw/zinc/72/15/36/433721536.db2.gz HWRYXNATAPKBNZ-JQHSSLGASA-N 0 3 300.446 3.335 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc(F)c2C#N)c1 ZINC000427645233 433742955 /nfs/dbraw/zinc/74/29/55/433742955.db2.gz MOQOZDNYPFVXJT-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000449548823 433749992 /nfs/dbraw/zinc/74/99/92/433749992.db2.gz QZPHOJMXYKGHKM-BMFZPTHFSA-N 0 3 303.402 3.232 20 30 DGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000428190743 433752745 /nfs/dbraw/zinc/75/27/45/433752745.db2.gz NZKJOEAYACKSDF-BXNDMCELSA-N 0 3 323.440 3.253 20 30 DGEDHN CN(CCOCc1ccccc1)CCOc1ccccc1C#N ZINC000362447624 433722994 /nfs/dbraw/zinc/72/29/94/433722994.db2.gz COJPPOXONJJKQN-UHFFFAOYSA-N 0 3 310.397 3.086 20 30 DGEDHN N#CCCCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000283860588 433789096 /nfs/dbraw/zinc/78/90/96/433789096.db2.gz IHRSTVABWGAHMK-UHFFFAOYSA-N 0 3 302.809 3.368 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)s1 ZINC000376782812 433816734 /nfs/dbraw/zinc/81/67/34/433816734.db2.gz NNLVYUGPCJTHQC-GFCCVEGCSA-N 0 3 319.380 3.266 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000284015115 433817096 /nfs/dbraw/zinc/81/70/96/433817096.db2.gz KLMAQLVIJJGNRL-KRWDZBQOSA-N 0 3 307.397 3.308 20 30 DGEDHN C=CCN1CC[C@@H](N(Cc2ccc(OC)cc2)C(C)(C)C)C1=O ZINC000344238543 433858174 /nfs/dbraw/zinc/85/81/74/433858174.db2.gz PTSCQGSLDKWSPL-QGZVFWFLSA-N 0 3 316.445 3.083 20 30 DGEDHN N#CCc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000352019790 433863330 /nfs/dbraw/zinc/86/33/30/433863330.db2.gz GJWDEEDAQJHMGT-HXUWFJFHSA-N 0 3 304.393 3.384 20 30 DGEDHN CCCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)cc1 ZINC000345368814 433908590 /nfs/dbraw/zinc/90/85/90/433908590.db2.gz XTQLVAIGEOXAKV-UHFFFAOYSA-N 0 3 313.445 3.286 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000285212613 433924249 /nfs/dbraw/zinc/92/42/49/433924249.db2.gz PGRHNTJUSAJHTC-RHSMWYFYSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)c1cncnc1 ZINC000436307447 433934365 /nfs/dbraw/zinc/93/43/65/433934365.db2.gz KENRBUMPZLIKQJ-UHOSZYNNSA-N 0 3 309.413 3.137 20 30 DGEDHN CC1CCC(N2CCN(Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000303640179 433952315 /nfs/dbraw/zinc/95/23/15/433952315.db2.gz HIMBILVIJIZSGH-UHFFFAOYSA-N 0 3 315.436 3.394 20 30 DGEDHN C=CCN(CCC#N)C(=O)c1oc2ccccc2c1CN(C)C ZINC000293998238 433957924 /nfs/dbraw/zinc/95/79/24/433957924.db2.gz YOKKOKAEPAWHSQ-UHFFFAOYSA-N 0 3 311.385 3.036 20 30 DGEDHN Cc1cccc2c1OC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000377745908 433978422 /nfs/dbraw/zinc/97/84/22/433978422.db2.gz OEJZDHYAXGVZAE-MAUKXSAKSA-N 0 3 322.408 3.379 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(OC)c(C#N)c2)C1(C)C 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CCN1CCCC[C@H]1CNc1ncc(Br)cc1C#N ZINC000450336900 434108584 /nfs/dbraw/zinc/10/85/84/434108584.db2.gz SOFYNSUHCUNINC-ZDUSSCGKSA-N 0 3 323.238 3.002 20 30 DGEDHN CCN(CC)[C@@H](CNc1nc(C)cc(C#N)n1)c1ccsc1 ZINC000286000452 434132125 /nfs/dbraw/zinc/13/21/25/434132125.db2.gz DIFIHNAROBJSSY-HNNXBMFYSA-N 0 3 315.446 3.213 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000378333011 434141251 /nfs/dbraw/zinc/14/12/51/434141251.db2.gz HLOUIWJZLSSOLX-NVXWUHKLSA-N 0 3 324.428 3.091 20 30 DGEDHN N#Cc1sc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)nc1Cl ZINC000286063502 434153439 /nfs/dbraw/zinc/15/34/39/434153439.db2.gz BTGVYCLIAXGIQJ-ZYHUDNBSSA-N 0 3 322.865 3.121 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000416700934 434166097 /nfs/dbraw/zinc/16/60/97/434166097.db2.gz XZBIZNDZTRLFEK-HOTGVXAUSA-N 0 3 307.482 3.151 20 30 DGEDHN CCCN(C(=O)[C@H](C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000357826526 434205753 /nfs/dbraw/zinc/20/57/53/434205753.db2.gz LUWTUYZVYOOEQO-AEFFLSMTSA-N 0 3 313.445 3.049 20 30 DGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(C#N)c1)N(C)C ZINC000357854556 434214972 /nfs/dbraw/zinc/21/49/72/434214972.db2.gz QOYMGHLPUOCSLD-DNVCBOLYSA-N 0 3 321.424 3.288 20 30 DGEDHN CCc1ccc([C@H](CO)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000515020012 294532850 /nfs/dbraw/zinc/53/28/50/294532850.db2.gz MLAVHGKHYBSILS-UXHICEINSA-N 0 3 306.409 3.431 20 30 DGEDHN COC(=O)c1csc([C@H](C)NCCc2cccc(C#N)c2)c1 ZINC000353586302 434252082 /nfs/dbraw/zinc/25/20/82/434252082.db2.gz AHMHAUNSUMMRCJ-LBPRGKRZSA-N 0 3 314.410 3.300 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNC[C@H]2OCCc3ccccc32)cc1 ZINC000364219518 434262211 /nfs/dbraw/zinc/26/22/11/434262211.db2.gz NDNLLCLMIJERLR-MGPUTAFESA-N 0 3 322.408 3.381 20 30 DGEDHN CN(CCCN(C)Cc1ccc(F)c(C#N)c1)Cc1ccco1 ZINC000353551056 434222022 /nfs/dbraw/zinc/22/20/22/434222022.db2.gz QYXXYZHETIAVMU-UHFFFAOYSA-N 0 3 315.392 3.244 20 30 DGEDHN N#Cc1ccnc(NCC2CCN(Cc3cccs3)CC2)c1 ZINC000286298525 434223748 /nfs/dbraw/zinc/22/37/48/434223748.db2.gz OZQGIVSJZPVFOE-UHFFFAOYSA-N 0 3 312.442 3.339 20 30 DGEDHN COc1cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)ccc1C#N ZINC000353640027 434293004 /nfs/dbraw/zinc/29/30/04/434293004.db2.gz FWANMXKYQXJFGW-IAGOWNOFSA-N 0 3 302.418 3.249 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000365381856 434294629 /nfs/dbraw/zinc/29/46/29/434294629.db2.gz AQLGPEQXZFGNKM-CVEARBPZSA-N 0 3 309.331 3.214 20 30 DGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CN(C)C ZINC000286953384 434298284 /nfs/dbraw/zinc/29/82/84/434298284.db2.gz JMRQWXCFMRQQPP-OLZOCXBDSA-N 0 3 320.462 3.010 20 30 DGEDHN COc1ccc2occ(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)c2c1 ZINC000328697492 434302284 /nfs/dbraw/zinc/30/22/84/434302284.db2.gz HETDKYAMSDCIBQ-NWDGAFQWSA-N 0 3 314.385 3.371 20 30 DGEDHN C=CCCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000286983219 434302854 /nfs/dbraw/zinc/30/28/54/434302854.db2.gz JMYSBLYWHRRNNW-GOSISDBHSA-N 0 3 309.413 3.493 20 30 DGEDHN CC[C@H](NC(=O)C1CCN(C2CC2)CC1)c1c(C)nn(C)c1C ZINC000328742500 434305739 /nfs/dbraw/zinc/30/57/39/434305739.db2.gz JOQIZCMYPMMTIT-INIZCTEOSA-N 0 3 318.465 3.319 20 30 DGEDHN CN(C[C@@H]1CC=CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348404042 434307238 /nfs/dbraw/zinc/30/72/38/434307238.db2.gz RVZLILWGFSBCGH-MSOLQXFVSA-N 0 3 307.397 3.055 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365818617 434309929 /nfs/dbraw/zinc/30/99/29/434309929.db2.gz GEHPBZLSVVQCTF-QGZVFWFLSA-N 0 3 311.429 3.365 20 30 DGEDHN O=C(NC1CC1)[C@H](O)C1CCN([C@H]2C=CCCCCC2)CC1 ZINC000328818644 434313253 /nfs/dbraw/zinc/31/32/53/434313253.db2.gz HCHDOZDKEATAJZ-DLBZAZTESA-N 0 3 306.450 3.067 20 30 DGEDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccccc1Cl ZINC000328904162 434324251 /nfs/dbraw/zinc/32/42/51/434324251.db2.gz IWXDMXNDAKDVAQ-CZUORRHYSA-N 0 3 321.808 3.415 20 30 DGEDHN CCC(=O)CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000295261901 434278091 /nfs/dbraw/zinc/27/80/91/434278091.db2.gz ITFNMQRJBVSTTG-UHFFFAOYSA-N 0 3 318.392 3.300 20 30 DGEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000340803516 434365356 /nfs/dbraw/zinc/36/53/56/434365356.db2.gz GPZINUVTVCXQLD-JKSUJKDBSA-N 0 3 305.466 3.182 20 30 DGEDHN Cc1cc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)c(C)s1 ZINC000329216824 434373218 /nfs/dbraw/zinc/37/32/18/434373218.db2.gz PCYUYWDLSVDYTC-INIZCTEOSA-N 0 3 322.474 3.057 20 30 DGEDHN CCC(CC)(CC)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000391161355 434381818 /nfs/dbraw/zinc/38/18/18/434381818.db2.gz UFHFLAJQGPMEMH-UHFFFAOYSA-N 0 3 322.474 3.138 20 30 DGEDHN CC(C)Oc1ccc([C@H](CNc2cccc(C#N)n2)N(C)C)cc1 ZINC000340847715 434388477 /nfs/dbraw/zinc/38/84/77/434388477.db2.gz IXASSYFQPBQZNW-SFHVURJKSA-N 0 3 324.428 3.455 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000450754748 434389776 /nfs/dbraw/zinc/38/97/76/434389776.db2.gz IKAJNHSMCGAASN-QGZVFWFLSA-N 0 3 300.446 3.225 20 30 DGEDHN CC(C)(CCC#N)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000366149336 434346526 /nfs/dbraw/zinc/34/65/26/434346526.db2.gz CMEPLRNALWZAQG-MRXNPFEDSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C2CC2)c1 ZINC000295417203 434351826 /nfs/dbraw/zinc/35/18/26/434351826.db2.gz NDXOJGYZZPVCFB-YJYMSZOUSA-N 0 3 311.429 3.023 20 30 DGEDHN Cc1nccn1CCNC([O-])=[NH+][C@H]1CCCCC12CCCC2 ZINC000329609493 434445657 /nfs/dbraw/zinc/44/56/57/434445657.db2.gz IZGWKSVFCXZQIL-HNNXBMFYSA-N 0 3 304.438 3.198 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCC1 ZINC000358544751 434394995 /nfs/dbraw/zinc/39/49/95/434394995.db2.gz VOVLUAIGQNWTAN-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN CN(C)CCSc1cc(Br)c(C#N)cc1F ZINC000393838501 434400341 /nfs/dbraw/zinc/40/03/41/434400341.db2.gz RVYYYFRSIOHIBM-UHFFFAOYSA-N 0 3 303.200 3.114 20 30 DGEDHN CC[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000359079707 434410914 /nfs/dbraw/zinc/41/09/14/434410914.db2.gz XFAPSUDSRBCLFT-RBUKOAKNSA-N 0 3 319.408 3.404 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H]1NCCc3ccccc31)CC2 ZINC000423416741 434416965 /nfs/dbraw/zinc/41/69/65/434416965.db2.gz FZJODGIDONCOCK-WOJBJXKFSA-N 0 3 303.409 3.022 20 30 DGEDHN C=CCC[C@H](NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccco1 ZINC000287643648 434421278 /nfs/dbraw/zinc/42/12/78/434421278.db2.gz URMMJIJDTQRGAK-XYJFISCASA-N 0 3 319.445 3.444 20 30 DGEDHN Cn1cc(CN[C@H]2CCC[C@H]2OCc2ccccc2)cc1C#N ZINC000359674986 434423836 /nfs/dbraw/zinc/42/38/36/434423836.db2.gz GOSFGYYPTNSDHJ-RBUKOAKNSA-N 0 3 309.413 3.124 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1oc(C2CC2)nc1C ZINC000329512769 434425400 /nfs/dbraw/zinc/42/54/00/434425400.db2.gz LDYKGVDYORYPKN-AWEZNQCLSA-N 0 3 305.422 3.430 20 30 DGEDHN C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1cccc(C#N)c1 ZINC000353792488 434437047 /nfs/dbraw/zinc/43/70/47/434437047.db2.gz HCYLMFUEONBRMR-RCDICMHDSA-N 0 3 312.438 3.288 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCCC[C@@H]1c1ccccc1 ZINC000329746628 434472053 /nfs/dbraw/zinc/47/20/53/434472053.db2.gz RXCNZWMSLZMDKH-CRAIPNDOSA-N 0 3 324.428 3.408 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCC[C@@H]1c1ccccc1 ZINC000329746628 434472059 /nfs/dbraw/zinc/47/20/59/434472059.db2.gz RXCNZWMSLZMDKH-CRAIPNDOSA-N 0 3 324.428 3.408 20 30 DGEDHN Cc1nc(C2CC2)oc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000329791388 434477745 /nfs/dbraw/zinc/47/77/45/434477745.db2.gz UMPSWDSKYKMBSM-VXGBXAGGSA-N 0 3 305.422 3.285 20 30 DGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000438507315 434496557 /nfs/dbraw/zinc/49/65/57/434496557.db2.gz JJYPYXMNPYKDKS-BNQMIIOLSA-N 0 3 305.466 3.038 20 30 DGEDHN CN(C(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)C1)c1ccccc1 ZINC000366792987 434510194 /nfs/dbraw/zinc/51/01/94/434510194.db2.gz UKRPQYMVODXMCR-GOSISDBHSA-N 0 3 319.408 3.043 20 30 DGEDHN C=CCN(CCC(=O)N1CCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC000438838858 434534707 /nfs/dbraw/zinc/53/47/07/434534707.db2.gz VJGJKHVIKDMISE-INIZCTEOSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458224672 434535961 /nfs/dbraw/zinc/53/59/61/434535961.db2.gz XPEIBQHVUOOMQY-UHFFFAOYSA-N 0 3 304.434 3.476 20 30 DGEDHN Cc1ccccc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000348908260 434550913 /nfs/dbraw/zinc/55/09/13/434550913.db2.gz YOZWTBHNMIUFAM-UHFFFAOYSA-N 0 3 307.441 3.431 20 30 DGEDHN COc1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1C#N ZINC000367682878 434555616 /nfs/dbraw/zinc/55/56/16/434555616.db2.gz HJVNLOJXGHCFDP-WBVHZDCISA-N 0 3 314.429 3.205 20 30 DGEDHN O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000451421254 434568867 /nfs/dbraw/zinc/56/88/67/434568867.db2.gz ODGICIJWMBKGDQ-FGTMMUONSA-N 0 3 303.833 3.317 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439334931 434594710 /nfs/dbraw/zinc/59/47/10/434594710.db2.gz XLZRIUASAOPZHF-HKUYNNGSSA-N 0 3 312.457 3.455 20 30 DGEDHN CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424064937 434612726 /nfs/dbraw/zinc/61/27/26/434612726.db2.gz KRKNYOZGBNFTQQ-KRWDZBQOSA-N 0 3 319.424 3.366 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370504646 434613289 /nfs/dbraw/zinc/61/32/89/434613289.db2.gz KJTVJYWGGKWLOE-INIZCTEOSA-N 0 3 314.429 3.111 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370504647 434614865 /nfs/dbraw/zinc/61/48/65/434614865.db2.gz KJTVJYWGGKWLOE-MRXNPFEDSA-N 0 3 314.429 3.111 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000424077664 434617198 /nfs/dbraw/zinc/61/71/98/434617198.db2.gz OFJFPJISBAYYLQ-SFHVURJKSA-N 0 3 323.396 3.225 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000424096311 434620174 /nfs/dbraw/zinc/62/01/74/434620174.db2.gz OWLRMHPCGACRSG-KRWDZBQOSA-N 0 3 317.408 3.118 20 30 DGEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424105022 434622208 /nfs/dbraw/zinc/62/22/08/434622208.db2.gz VPDJWZQNLKRWDD-CYBMUJFWSA-N 0 3 309.797 3.088 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1COc1ccccc1 ZINC000424097192 434622867 /nfs/dbraw/zinc/62/28/67/434622867.db2.gz DYGIVUALNKEJGF-KRWDZBQOSA-N 0 3 323.396 3.225 20 30 DGEDHN Cc1cccc(-c2cccc(CNC(=O)[C@H](N)CCCC#N)c2)c1 ZINC000424116017 434625432 /nfs/dbraw/zinc/62/54/32/434625432.db2.gz WMSUGEUXXRMKLN-LJQANCHMSA-N 0 3 321.424 3.299 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424119003 434628052 /nfs/dbraw/zinc/62/80/52/434628052.db2.gz DBCKLTYFOOKBFE-WOSRLPQWSA-N 0 3 321.852 3.312 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000424120737 434628521 /nfs/dbraw/zinc/62/85/21/434628521.db2.gz GXOWEKUNWMSGET-DLBZAZTESA-N 0 3 317.408 3.194 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC(c1cccs1)c1cccs1 ZINC000424129526 434631238 /nfs/dbraw/zinc/63/12/38/434631238.db2.gz SCRIAJTWZQSGJD-NSHDSACASA-N 0 3 319.455 3.036 20 30 DGEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424134165 434632456 /nfs/dbraw/zinc/63/24/56/434632456.db2.gz YAWLZDHKZMDODT-OKZBNKHCSA-N 0 3 313.445 3.111 20 30 DGEDHN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424139460 434634172 /nfs/dbraw/zinc/63/41/72/434634172.db2.gz AMYBZGGPTIGGKG-INIZCTEOSA-N 0 3 308.385 3.017 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000424146391 434636236 /nfs/dbraw/zinc/63/62/36/434636236.db2.gz POHNAPVXWKIGEX-KRWDZBQOSA-N 0 3 314.433 3.027 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(Cl)cc2)C(C)C)C1=O ZINC000410312209 434638142 /nfs/dbraw/zinc/63/81/42/434638142.db2.gz PBSDBYGMXLAXTO-JKSUJKDBSA-N 0 3 306.837 3.414 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000371088824 434641117 /nfs/dbraw/zinc/64/11/17/434641117.db2.gz PNHRLWRBWUNNNW-FOIQADDNSA-N 0 3 321.424 3.254 20 30 DGEDHN CC(=O)N1CC[C@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000371091059 434641991 /nfs/dbraw/zinc/64/19/91/434641991.db2.gz ZVWFOSRZVNJQDC-SFHVURJKSA-N 0 3 305.381 3.146 20 30 DGEDHN C=CCN1CC[C@H](N(CC)[C@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389502 434645857 /nfs/dbraw/zinc/64/58/57/434645857.db2.gz OCLHNXYZBJOCMF-MOPGFXCFSA-N 0 3 314.473 3.425 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000424173908 434643606 /nfs/dbraw/zinc/64/36/06/434643606.db2.gz OTULVECYCJVIQD-IRXDYDNUSA-N 0 3 305.466 3.359 20 30 DGEDHN N#CC1(CNC2CCN(c3ccc(F)cc3F)CC2)CCC1 ZINC000418144687 434603183 /nfs/dbraw/zinc/60/31/83/434603183.db2.gz UPVOUCGXUDTUHR-UHFFFAOYSA-N 0 3 305.372 3.217 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H](C(C)C)C1(CO)CCCC1 ZINC000459548246 434603429 /nfs/dbraw/zinc/60/34/29/434603429.db2.gz XHDGAKLZJASJOS-GOSISDBHSA-N 0 3 316.445 3.234 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418210144 434611487 /nfs/dbraw/zinc/61/14/87/434611487.db2.gz GQZPLGRFDYAFEP-MRXNPFEDSA-N 0 3 303.450 3.150 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000360619855 434652142 /nfs/dbraw/zinc/65/21/42/434652142.db2.gz MORJQIBHLRIDSX-HOTGVXAUSA-N 0 3 305.466 3.039 20 30 DGEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OCCCC#N ZINC000424194846 434652858 /nfs/dbraw/zinc/65/28/58/434652858.db2.gz MEENMEFGRMOVTM-GOEBONIOSA-N 0 3 313.401 3.160 20 30 DGEDHN C=CCC1(NC(=O)NC[C@@H](N)c2ccccc2)CCCCC1 ZINC000418458556 434658207 /nfs/dbraw/zinc/65/82/07/434658207.db2.gz XESMJPFCINLXCP-MRXNPFEDSA-N 0 3 301.434 3.265 20 30 DGEDHN CCc1nn(C)cc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360645765 434658211 /nfs/dbraw/zinc/65/82/11/434658211.db2.gz FQZLADRWKMKMOT-IBGZPJMESA-N 0 3 308.429 3.411 20 30 DGEDHN CC(=O)N1CC[C@H](NCc2cccc(C#N)c2)c2ccccc2C1 ZINC000360675840 434663234 /nfs/dbraw/zinc/66/32/34/434663234.db2.gz YFBDGVVTRJUJRI-FQEVSTJZSA-N 0 3 319.408 3.141 20 30 DGEDHN CCOc1c(OC)cc(CNCC(C)(C)CC#N)cc1OC ZINC000459687976 434663815 /nfs/dbraw/zinc/66/38/15/434663815.db2.gz HJRYZURHPRZGHY-UHFFFAOYSA-N 0 3 306.406 3.132 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418500117 434666454 /nfs/dbraw/zinc/66/64/54/434666454.db2.gz NQCRZWLOGQZKPK-GOSISDBHSA-N 0 3 311.429 3.447 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](OC)C23CCC3)cc1OC ZINC000459734388 434682595 /nfs/dbraw/zinc/68/25/95/434682595.db2.gz HBRWWZOWKSAFEA-MSOLQXFVSA-N 0 3 317.429 3.307 20 30 DGEDHN COc1cc(CNCCOc2ccc(F)c(F)c2)ccc1C#N ZINC000440812654 434746692 /nfs/dbraw/zinc/74/66/92/434746692.db2.gz UWBALRRVDLCKQM-UHFFFAOYSA-N 0 3 318.323 3.014 20 30 DGEDHN CC(C)(NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411233536 434749478 /nfs/dbraw/zinc/74/94/78/434749478.db2.gz WRINGZRXAXQCOG-UHFFFAOYSA-N 0 3 307.397 3.412 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000424589708 434751004 /nfs/dbraw/zinc/75/10/04/434751004.db2.gz XRSUQWMBSPETAI-UHFFFAOYSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CC(C)(C)CNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000452783660 434715005 /nfs/dbraw/zinc/71/50/05/434715005.db2.gz MFCKOSQZKDIBBN-VXGBXAGGSA-N 0 3 320.399 3.224 20 30 DGEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000360907814 434729582 /nfs/dbraw/zinc/72/95/82/434729582.db2.gz BIZORONCBKHZBK-QMMMGPOBSA-N 0 3 310.184 3.293 20 30 DGEDHN CCCN(CC(C)C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411196349 434742286 /nfs/dbraw/zinc/74/22/86/434742286.db2.gz BKSJSYRYGNGYEH-CQSZACIVSA-N 0 3 305.447 3.093 20 30 DGEDHN C=C(C)Cn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)C ZINC000460367616 434756824 /nfs/dbraw/zinc/75/68/24/434756824.db2.gz BPNOWPRGDQAJBN-HUUCEWRRSA-N 0 3 319.497 3.071 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1cccnc1 ZINC000411418901 434779622 /nfs/dbraw/zinc/77/96/22/434779622.db2.gz OCSMWKBJBAWZAE-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN COC(=O)CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411510185 434791829 /nfs/dbraw/zinc/79/18/29/434791829.db2.gz XXZCIXASPGGACN-AWEZNQCLSA-N 0 3 308.381 3.439 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cncc(C(F)(F)F)c1 ZINC000411648689 434812756 /nfs/dbraw/zinc/81/27/56/434812756.db2.gz PYHJJOKQHZEVRD-UHFFFAOYSA-N 0 3 301.356 3.040 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000372262720 434818564 /nfs/dbraw/zinc/81/85/64/434818564.db2.gz VJABUHNESUZZSW-ZWKOTPCHSA-N 0 3 300.402 3.026 20 30 DGEDHN Cc1cc(CNCCOc2ccc(F)c(F)c2)ccc1C#N ZINC000443977898 533694120 /nfs/dbraw/zinc/69/41/20/533694120.db2.gz JRDXMRODLJKABF-UHFFFAOYSA-N 0 3 302.324 3.314 20 30 DGEDHN C=C(C)CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000372850567 434857592 /nfs/dbraw/zinc/85/75/92/434857592.db2.gz ZRKMDPCFEQIMBL-CRAIPNDOSA-N 0 3 310.401 3.061 20 30 DGEDHN N#CCCC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000573371600 434893597 /nfs/dbraw/zinc/89/35/97/434893597.db2.gz XTKMFYKJXSUCME-UHFFFAOYSA-N 0 3 313.445 3.039 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C(C)C)nc2sc(C)nn12 ZINC000573413849 434897950 /nfs/dbraw/zinc/89/79/50/434897950.db2.gz ISWLCJMBASWTCH-OCCSQVGLSA-N 0 3 320.462 3.046 20 30 DGEDHN C[C@@H](C(=O)Nc1ccccc1CCN(C)C)c1cccc(C#N)c1 ZINC000462329484 434908648 /nfs/dbraw/zinc/90/86/48/434908648.db2.gz ZQDWCTMFLAVFEI-OAHLLOKOSA-N 0 3 321.424 3.405 20 30 DGEDHN C#C[C@H](NC1CCN(C(=O)OCC)CC1)c1ccc(Cl)cc1 ZINC000491809422 434865623 /nfs/dbraw/zinc/86/56/23/434865623.db2.gz YENDUWLJAXMVBK-INIZCTEOSA-N 0 3 320.820 3.225 20 30 DGEDHN CCN(CC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000463370624 434954908 /nfs/dbraw/zinc/95/49/08/434954908.db2.gz SIXGSSWPDJTZSN-QGZVFWFLSA-N 0 3 313.445 3.422 20 30 DGEDHN CC#CCCN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000555131123 434961592 /nfs/dbraw/zinc/96/15/92/434961592.db2.gz ZJBMMUXBKGNORH-UHFFFAOYSA-N 0 3 305.393 3.378 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000464044308 434975328 /nfs/dbraw/zinc/97/53/28/434975328.db2.gz GKUNVCSRZDHZKW-MSOLQXFVSA-N 0 3 300.446 3.289 20 30 DGEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCCC2)cc1)c1ccccn1 ZINC000554321186 434921881 /nfs/dbraw/zinc/92/18/81/434921881.db2.gz ITPAZEUQMJFBNR-KRWDZBQOSA-N 0 3 305.381 3.167 20 30 DGEDHN N#C[C@H](C(=O)c1ccc(CN2CCCC2)cc1)c1ccccn1 ZINC000554321186 434921883 /nfs/dbraw/zinc/92/18/83/434921883.db2.gz ITPAZEUQMJFBNR-KRWDZBQOSA-N 0 3 305.381 3.167 20 30 DGEDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554522868 434933456 /nfs/dbraw/zinc/93/34/56/434933456.db2.gz CZOAHOVKNJMUQG-HZMBPMFUSA-N 0 3 305.809 3.317 20 30 DGEDHN COc1ccc([C@H](CCC#N)NCCN2CC=C(C)CC2)cc1 ZINC000574872976 435002666 /nfs/dbraw/zinc/00/26/66/435002666.db2.gz PZPPWIZVBCNOPW-IBGZPJMESA-N 0 3 313.445 3.282 20 30 DGEDHN CC(C)C[C@@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000525410726 435007444 /nfs/dbraw/zinc/00/74/44/435007444.db2.gz LFAGNBLJNBPGCR-WMZOPIPTSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000525636637 435007494 /nfs/dbraw/zinc/00/74/94/435007494.db2.gz GBZYECIUONRWDN-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000525635016 435007806 /nfs/dbraw/zinc/00/78/06/435007806.db2.gz DWKSOOOMQXZQHZ-HKUYNNGSSA-N 0 3 312.457 3.140 20 30 DGEDHN CC(C)(C)CCN1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000578289531 435072999 /nfs/dbraw/zinc/07/29/99/435072999.db2.gz XLTNQECLUGFLQJ-UHFFFAOYSA-N 0 3 316.405 3.025 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000492695287 435036052 /nfs/dbraw/zinc/03/60/52/435036052.db2.gz HLSVDWIZJFNTDU-LSDHHAIUSA-N 0 3 309.454 3.258 20 30 DGEDHN C[C@H](CCC#N)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000492698217 435036820 /nfs/dbraw/zinc/03/68/20/435036820.db2.gz WPXAIFMRNOVQNE-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000556926712 435038448 /nfs/dbraw/zinc/03/84/48/435038448.db2.gz ILVVLBOBMPPXSQ-INIZCTEOSA-N 0 3 317.429 3.415 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)CCOc1cccc(C#N)c1 ZINC000530447138 435045074 /nfs/dbraw/zinc/04/50/74/435045074.db2.gz MBBVJNVJLMRVFY-IBGZPJMESA-N 0 3 324.424 3.127 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000575772031 435051118 /nfs/dbraw/zinc/05/11/18/435051118.db2.gz ZENQNDUODFVOFL-WMZOPIPTSA-N 0 3 322.412 3.236 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H](C)c2c(C)cc(C)cc2C)C1=O ZINC000532217124 435148157 /nfs/dbraw/zinc/14/81/57/435148157.db2.gz LTADEDPUZLQKAZ-IRXDYDNUSA-N 0 3 300.446 3.392 20 30 DGEDHN CCN(C(=O)CN1CCC(C)(C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000578570374 435093675 /nfs/dbraw/zinc/09/36/75/435093675.db2.gz JTLXGWHOTOYOJV-HNNXBMFYSA-N 0 3 313.445 3.200 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC[C@H](OCc3ccccc3F)C2)C1 ZINC000559186817 435124003 /nfs/dbraw/zinc/12/40/03/435124003.db2.gz OTOMLFIPBUPSSN-UAGQMJEPSA-N 0 3 302.393 3.499 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC[C@H](OCc3ccccc3F)C2)C1 ZINC000559186822 435124747 /nfs/dbraw/zinc/12/47/47/435124747.db2.gz OTOMLFIPBUPSSN-XIRDDKMYSA-N 0 3 302.393 3.499 20 30 DGEDHN CN(CCOc1ccccc1C#N)Cc1cc(C(C)(C)C)[nH]n1 ZINC000559974807 435145448 /nfs/dbraw/zinc/14/54/48/435145448.db2.gz ZBTOYAAKWOGYLG-UHFFFAOYSA-N 0 3 312.417 3.090 20 30 DGEDHN C[C@@H]1CN(CCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494419449 435196322 /nfs/dbraw/zinc/19/63/22/435196322.db2.gz VDRZPFWODOCCKI-KGLIPLIRSA-N 0 3 309.454 3.161 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H]2Cc2ccccc2)cc1 ZINC000533024051 435205114 /nfs/dbraw/zinc/20/51/14/435205114.db2.gz XDSCTXXJJBYIRA-LJQANCHMSA-N 0 3 319.408 3.204 20 30 DGEDHN C[C@H](N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000580275633 435216593 /nfs/dbraw/zinc/21/65/93/435216593.db2.gz MRSSXNXKTJMCDB-YOEHRIQHSA-N 0 3 313.445 3.420 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000533280602 435221839 /nfs/dbraw/zinc/22/18/39/435221839.db2.gz IXAPEDCHRDAGTB-JFIYKMOQSA-N 0 3 307.482 3.187 20 30 DGEDHN CN(C[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1)C(=O)OC(C)(C)C ZINC000496563746 435225582 /nfs/dbraw/zinc/22/55/82/435225582.db2.gz JANPBMXRHVTHKN-PMPSAXMXSA-N 0 3 321.465 3.258 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(F)cc1)C(C)C ZINC000496014191 435208370 /nfs/dbraw/zinc/20/83/70/435208370.db2.gz MJVSGPKUNDFSJH-GOSISDBHSA-N 0 3 318.436 3.183 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000496427671 435212065 /nfs/dbraw/zinc/21/20/65/435212065.db2.gz BAUZTUHJZDAJFA-SOUVJXGZSA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496397954 435213013 /nfs/dbraw/zinc/21/30/13/435213013.db2.gz IHSPPGGCOVKQMC-ILXRZTDVSA-N 0 3 309.454 3.304 20 30 DGEDHN CC[C@@H](CC#N)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496613759 435231521 /nfs/dbraw/zinc/23/15/21/435231521.db2.gz JMOKLVSTPACVAA-GJZGRUSLSA-N 0 3 309.454 3.305 20 30 DGEDHN C[C@H](NCCNc1ccc2ccccc2n1)c1cccc(C#N)c1 ZINC000583458167 435242577 /nfs/dbraw/zinc/24/25/77/435242577.db2.gz RTZVNQXRXAYVKZ-HNNXBMFYSA-N 0 3 316.408 3.869 20 30 DGEDHN C[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)N(C)C ZINC000330754486 298245463 /nfs/dbraw/zinc/24/54/63/298245463.db2.gz WQYUMGISIAXOGA-GFCCVEGCSA-N 0 3 323.485 3.212 20 30 DGEDHN Cc1cccc2c1OC[C@@H](N[C@H]1CCc3ccc(C#N)cc31)C2 ZINC000584045841 435270643 /nfs/dbraw/zinc/27/06/43/435270643.db2.gz IPOVEXCEVUICHL-HKUYNNGSSA-N 0 3 304.393 3.447 20 30 DGEDHN OC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000565924511 435283063 /nfs/dbraw/zinc/28/30/63/435283063.db2.gz XJMYCYBLZLIOAC-MRXNPFEDSA-N 0 3 311.347 3.198 20 30 DGEDHN C[C@H](CCC#N)N1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000497023135 435287410 /nfs/dbraw/zinc/28/74/10/435287410.db2.gz RDLDHVHQLJTJGU-KSTDHSDQSA-N 0 3 321.465 3.448 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497133194 435299985 /nfs/dbraw/zinc/29/99/85/435299985.db2.gz QPVXNQWNBHRLON-MRXNPFEDSA-N 0 3 321.465 3.450 20 30 DGEDHN CCN(CC)[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000590575724 435300017 /nfs/dbraw/zinc/30/00/17/435300017.db2.gz RLWPUZZXTKOCEU-NSHDSACASA-N 0 3 324.837 3.756 20 30 DGEDHN CC(C)(C)OC(=O)NCCCCNCc1ccc(C#N)c(F)c1 ZINC000497240364 435301739 /nfs/dbraw/zinc/30/17/39/435301739.db2.gz PSAONYCFHPZMIN-UHFFFAOYSA-N 0 3 321.396 3.092 20 30 DGEDHN COc1ccc(Oc2ccc(CCNC(=O)C(C)C#N)cc2)cc1 ZINC000535884584 435362780 /nfs/dbraw/zinc/36/27/80/435362780.db2.gz GBRZWCXZYONEED-AWEZNQCLSA-N 0 3 324.380 3.306 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2ccccc2)nc1 ZINC000568181359 435401841 /nfs/dbraw/zinc/40/18/41/435401841.db2.gz RAJJQRKAAXOGBG-MSOLQXFVSA-N 0 3 310.397 3.094 20 30 DGEDHN C=CCCCCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637254461 435411703 /nfs/dbraw/zinc/41/17/03/435411703.db2.gz AWWWQKWDJDFULT-UHFFFAOYSA-N 0 3 319.453 3.018 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cccc2c[nH]nc21 ZINC000514928256 435448856 /nfs/dbraw/zinc/44/88/56/435448856.db2.gz PTGOAAWRISHTQR-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCC[C@H](C)C1 ZINC000537586665 435451209 /nfs/dbraw/zinc/45/12/09/435451209.db2.gz LLWQQJIHERTJJU-QWHCGFSZSA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCC[C@@H](C)C1 ZINC000537586663 435451935 /nfs/dbraw/zinc/45/19/35/435451935.db2.gz LLWQQJIHERTJJU-CHWSQXEVSA-N 0 3 319.836 3.062 20 30 DGEDHN CC#CCCNCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000482154238 435453103 /nfs/dbraw/zinc/45/31/03/435453103.db2.gz CLARAJVENVXBII-UHFFFAOYSA-N 0 3 322.408 3.451 20 30 DGEDHN CCc1ccc([C@@H](CO)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000515020018 435456723 /nfs/dbraw/zinc/45/67/23/435456723.db2.gz MLAVHGKHYBSILS-WOJBJXKFSA-N 0 3 306.409 3.431 20 30 DGEDHN Cc1ccc([C@@H](C)N(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000515137977 435465133 /nfs/dbraw/zinc/46/51/33/435465133.db2.gz LQXWYJLDWBENRY-VQIMIIECSA-N 0 3 324.424 3.299 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C1CC1 ZINC000538958157 435531551 /nfs/dbraw/zinc/53/15/51/435531551.db2.gz ICONWEKBPNSOAR-SFHVURJKSA-N 0 3 315.461 3.212 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000538155314 435484716 /nfs/dbraw/zinc/48/47/16/435484716.db2.gz UFRFPJGUXUFJGV-INIZCTEOSA-N 0 3 302.462 3.367 20 30 DGEDHN C=C(CC)CN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482905360 435488251 /nfs/dbraw/zinc/48/82/51/435488251.db2.gz WOZJDNWJBVRRLO-UHFFFAOYSA-N 0 3 324.424 3.271 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000569010044 435494962 /nfs/dbraw/zinc/49/49/62/435494962.db2.gz GKSXMSNABJIOFG-QGZVFWFLSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccccc1OC(F)(F)F ZINC000539297676 435545056 /nfs/dbraw/zinc/54/50/56/435545056.db2.gz RIFBNRLGZIURGW-NWDGAFQWSA-N 0 3 303.324 3.420 20 30 DGEDHN C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1nccn1C ZINC000539261363 435545090 /nfs/dbraw/zinc/54/50/90/435545090.db2.gz NYQBIMOVJKVKRP-ODIFPOPNSA-N 0 3 324.428 3.333 20 30 DGEDHN C[C@@]1(NCC(=O)Nc2cccc(C#N)c2)CCCc2ccccc21 ZINC000540906483 435624137 /nfs/dbraw/zinc/62/41/37/435624137.db2.gz ZASIVOVEALYJMI-HXUWFJFHSA-N 0 3 319.408 3.338 20 30 DGEDHN C=CCOc1ccc(CNC[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000517558591 435599352 /nfs/dbraw/zinc/59/93/52/435599352.db2.gz ZHWUKSGCXUVUEA-GOSISDBHSA-N 0 3 315.388 3.084 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2C2CCC2)CC1 ZINC000645266423 435606806 /nfs/dbraw/zinc/60/68/06/435606806.db2.gz SZVUQBMPGVAQPP-QGZVFWFLSA-N 0 3 305.466 3.001 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1C)C1CC1 ZINC000540592918 435607106 /nfs/dbraw/zinc/60/71/06/435607106.db2.gz VIFRTZQBZUTEJE-LJQANCHMSA-N 0 3 300.446 3.460 20 30 DGEDHN C[C@H]1C[C@H]1N1CCN(c2ccc(Cl)cc2C#N)C[C@@H](C)C1 ZINC000488732340 435642311 /nfs/dbraw/zinc/64/23/11/435642311.db2.gz NGOVYQZPZYRPJK-IIYDPXPESA-N 0 3 303.837 3.378 20 30 DGEDHN C[C@@H]1C[C@@H]1N1CCN(c2cc(Cl)ccc2C#N)C[C@@H](C)C1 ZINC000488757736 435642478 /nfs/dbraw/zinc/64/24/78/435642478.db2.gz ZSZHGUCIQURMLY-ZENOOKHLSA-N 0 3 303.837 3.378 20 30 DGEDHN CC(C)CNC(=O)c1cccc(CN2CCC(CC#N)CC2)c1 ZINC000518820947 435654927 /nfs/dbraw/zinc/65/49/27/435654927.db2.gz HCJGPJXRFTYQQY-UHFFFAOYSA-N 0 3 313.445 3.198 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)Nc2ccccc2)CC1 ZINC000519283534 435677966 /nfs/dbraw/zinc/67/79/66/435677966.db2.gz NLRXATJQXODXPI-GOSISDBHSA-N 0 3 315.461 3.034 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(F)(F)C(C)(C)C)CC1 ZINC000660598035 435819145 /nfs/dbraw/zinc/81/91/45/435819145.db2.gz WECCCKLCHOFSTN-UHFFFAOYSA-N 0 3 317.424 3.008 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(CCC)[C@@H]2CCN(C)C2)c1 ZINC000646241800 435819235 /nfs/dbraw/zinc/81/92/35/435819235.db2.gz JYUFWUKDFYWBSZ-MRXNPFEDSA-N 0 3 317.433 3.199 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C3CCC3)C2)CC1 ZINC000660597595 435819775 /nfs/dbraw/zinc/81/97/75/435819775.db2.gz RMMQXOIDMLOAQJ-KRWDZBQOSA-N 0 3 319.493 3.249 20 30 DGEDHN C#C[C@@H](CCC)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000491626488 435783626 /nfs/dbraw/zinc/78/36/26/435783626.db2.gz MIEVRFFLRPVPKL-SFHVURJKSA-N 0 3 315.461 3.082 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](NCc2ccncc2OC[C@H]2CCOC2)C1 ZINC000651813003 435834199 /nfs/dbraw/zinc/83/41/99/435834199.db2.gz SSTATBCOHQJLBW-SOLBZPMBSA-N 0 3 316.445 3.331 20 30 DGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C2CCCC2)C1 ZINC000572591987 435844164 /nfs/dbraw/zinc/84/41/64/435844164.db2.gz PHLPEDJXYZBAPO-WMLDXEAASA-N 0 3 311.429 3.397 20 30 DGEDHN N#Cc1cccc(C2(NCCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000551708643 435849603 /nfs/dbraw/zinc/84/96/03/435849603.db2.gz XTBAFJKYDMYJSL-UHFFFAOYSA-N 0 3 307.353 3.288 20 30 DGEDHN CCN(Cc1ccc(C#N)cn1)[C@@H](COC)Cc1ccccc1 ZINC000572981227 435889609 /nfs/dbraw/zinc/88/96/09/435889609.db2.gz WGVBEBLMCWBGBL-LJQANCHMSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000660859087 435910981 /nfs/dbraw/zinc/91/09/81/435910981.db2.gz VYORZRUURGYDCF-HOTGVXAUSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCCc1ccccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000656260676 435927831 /nfs/dbraw/zinc/92/78/31/435927831.db2.gz ZOCQEWPRQYFPTD-GOSISDBHSA-N 0 3 300.446 3.470 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000665392721 435966991 /nfs/dbraw/zinc/96/69/91/435966991.db2.gz CSIIWGHOGYHVKZ-VQHPVUNQSA-N 0 3 307.482 3.245 20 30 DGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000661379577 436048297 /nfs/dbraw/zinc/04/82/97/436048297.db2.gz ZUZQWPOHCUCULY-HUUCEWRRSA-N 0 3 306.475 3.083 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C)[C@H]2C)c1 ZINC000248338672 301224755 /nfs/dbraw/zinc/22/47/55/301224755.db2.gz HXHWFNHFOARGSG-IAGOWNOFSA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCCn1cc(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000657391493 436177044 /nfs/dbraw/zinc/17/70/44/436177044.db2.gz LSACNDFIDBLFKJ-QWHCGFSZSA-N 0 3 316.371 3.313 20 30 DGEDHN C=CCN(CC(=O)NCc1cccc(OC(C)C)c1)C(C)(C)C ZINC000661756582 436179477 /nfs/dbraw/zinc/17/94/77/436179477.db2.gz RDTRLMHAUCLZRY-UHFFFAOYSA-N 0 3 318.461 3.377 20 30 DGEDHN C=CCN(CC(=O)N(C)Cc1ccc(OC)c(F)c1)C(C)(C)C ZINC000661755988 436179885 /nfs/dbraw/zinc/17/98/85/436179885.db2.gz XYZOWZALVARYFU-UHFFFAOYSA-N 0 3 322.424 3.079 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1c(Br)cnn1C ZINC000657531137 436237130 /nfs/dbraw/zinc/23/71/30/436237130.db2.gz XGXKJYOKQPERDZ-AAEUAGOBSA-N 0 3 312.255 3.407 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)nn1 ZINC000657442657 436205928 /nfs/dbraw/zinc/20/59/28/436205928.db2.gz UKSGIVLASQPNLX-ROUUACIJSA-N 0 3 310.445 3.355 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000661879407 436219374 /nfs/dbraw/zinc/21/93/74/436219374.db2.gz VVICEUYXCVHGTE-HKUYNNGSSA-N 0 3 301.405 3.458 20 30 DGEDHN C=CCCn1cc(CN[C@@H](Cc2ccc(F)cc2)C(C)C)nn1 ZINC000653608699 436221463 /nfs/dbraw/zinc/22/14/63/436221463.db2.gz ALXJSISABKLUGE-SFHVURJKSA-N 0 3 316.424 3.350 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC)Cc1cccc(F)c1 ZINC000662077925 436266113 /nfs/dbraw/zinc/26/61/13/436266113.db2.gz GELSOKXREOFCNE-HDICACEKSA-N 0 3 316.420 3.357 20 30 DGEDHN C=CCOc1ccc(CNC[C@@H]2CCC[C@@H](C)O2)cc1OC ZINC000657666743 436273046 /nfs/dbraw/zinc/27/30/46/436273046.db2.gz SWCNCSYMSSUWEA-ZBFHGGJFSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CCNC2 ZINC000662599798 436367907 /nfs/dbraw/zinc/36/79/07/436367907.db2.gz ATPNPSWRBPLTKJ-TZMCWYRMSA-N 0 3 304.459 3.259 20 30 DGEDHN C=CCOCCCN[C@H](COC)c1cccc(Cl)c1F ZINC000658206595 436401075 /nfs/dbraw/zinc/40/10/75/436401075.db2.gz OYJBZACRXVAWJO-CQSZACIVSA-N 0 3 301.789 3.349 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccccc1S(C)(=O)=O ZINC000658033627 436356993 /nfs/dbraw/zinc/35/69/93/436356993.db2.gz GOSREQLWJLNBMR-HOCLYGCPSA-N 0 3 307.459 3.315 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccccc1S(C)(=O)=O ZINC000658033626 436357004 /nfs/dbraw/zinc/35/70/04/436357004.db2.gz GOSREQLWJLNBMR-GOEBONIOSA-N 0 3 307.459 3.315 20 30 DGEDHN C=CCn1cc(CN[C@@H](CC)Cc2ccc(Cl)cc2)nn1 ZINC000658037091 436358767 /nfs/dbraw/zinc/35/87/67/436358767.db2.gz FVDCNUUSWZBNGD-HNNXBMFYSA-N 0 3 304.825 3.228 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654730114 436459659 /nfs/dbraw/zinc/45/96/59/436459659.db2.gz ZOTRBZDSEMVXHJ-SJORKVTESA-N 0 3 307.482 3.391 20 30 DGEDHN C=CCC1(NC(=O)NC2CCN(CC(=C)C)CC2)CCCC1 ZINC000664017467 436545585 /nfs/dbraw/zinc/54/55/85/436545585.db2.gz XDZPVOIWNIPOBV-UHFFFAOYSA-N 0 3 305.466 3.215 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CC2CCC2)CC1 ZINC000664020379 436545731 /nfs/dbraw/zinc/54/57/31/436545731.db2.gz ROHFXMMOSRCIER-GOSISDBHSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000664127709 436560586 /nfs/dbraw/zinc/56/05/86/436560586.db2.gz WQFOTPVDBXRDBT-QGZVFWFLSA-N 0 3 301.434 3.089 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C(C)C ZINC000183204043 302197893 /nfs/dbraw/zinc/19/78/93/302197893.db2.gz AKFYESGBFFJSBZ-MOPGFXCFSA-N 0 3 313.445 3.090 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CCCC4(CCCC4)C3)C2=O)cc1 ZINC000445864535 303194753 /nfs/dbraw/zinc/19/47/53/303194753.db2.gz WDFQGLBEHVGKEX-SFHVURJKSA-N 0 3 323.440 3.320 20 30 DGEDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cnn1C(C)C ZINC000330975134 533699647 /nfs/dbraw/zinc/69/96/47/533699647.db2.gz NWDOGNYCSTUMJN-UHFFFAOYSA-N 0 3 306.454 3.199 20 30 DGEDHN N#Cc1csc(CNCc2ccc(Cn3ccnc3)cc2)c1 ZINC000177684567 312782801 /nfs/dbraw/zinc/78/28/01/312782801.db2.gz AOFVZIAVETXXAR-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN C[C@H]1CC(F)(F)CCN1CCC(=O)Nc1ccccc1C#N ZINC000528771963 313079589 /nfs/dbraw/zinc/07/95/89/313079589.db2.gz VVAFBQXCARBJIB-LBPRGKRZSA-N 0 3 307.344 3.006 20 30 DGEDHN COC(=O)c1cccc(CN2CC[C@@H](C(C)(C)C)C2)c1C#N ZINC000543245908 314123043 /nfs/dbraw/zinc/12/30/43/314123043.db2.gz XAPZVMMQGUCGIV-CQSZACIVSA-N 0 3 300.402 3.213 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cn2)C[C@@H]1OCc1ccccc1 ZINC000558246152 314834664 /nfs/dbraw/zinc/83/46/64/314834664.db2.gz KECGNIJTYUPEPQ-MOPGFXCFSA-N 0 3 321.424 3.427 20 30 DGEDHN C[C@H](c1ccccc1)N1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000561227649 314960118 /nfs/dbraw/zinc/96/01/18/314960118.db2.gz GCKNMHXRWNZCTQ-OAHLLOKOSA-N 0 3 306.413 3.013 20 30 DGEDHN CC1(C)CCCc2cc(C#N)c(N3CC[C@H](N4CCCC4)C3)nc21 ZINC000562353343 315013093 /nfs/dbraw/zinc/01/30/93/315013093.db2.gz NCGSJDRQTFFBMB-KRWDZBQOSA-N 0 3 324.472 3.242 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(C#N)cn1 ZINC000562925335 315061515 /nfs/dbraw/zinc/06/15/15/315061515.db2.gz WRNUTKPYBKCOAP-KRWDZBQOSA-N 0 3 320.440 3.050 20 30 DGEDHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000566670233 315366653 /nfs/dbraw/zinc/36/66/53/315366653.db2.gz OWLNVKLZEOWPNX-ROUUACIJSA-N 0 3 306.413 3.336 20 30 DGEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000566694558 315368166 /nfs/dbraw/zinc/36/81/66/315368166.db2.gz JYJOPLYJXLMRDP-UXEPBGEESA-N 0 3 317.408 3.041 20 30 DGEDHN N#Cc1cncc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000566733682 315370431 /nfs/dbraw/zinc/37/04/31/315370431.db2.gz DRVRDYBASLOKGF-INIZCTEOSA-N 0 3 310.426 3.105 20 30 DGEDHN CC(C)=CCC[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000567582567 315432542 /nfs/dbraw/zinc/43/25/42/315432542.db2.gz PCODISGJSKPFHY-HNNXBMFYSA-N 0 3 320.458 3.056 20 30 DGEDHN Cn1cc(CNC[C@@H](Cc2ccccc2)C(F)(F)F)cc1C#N ZINC000568377802 315507014 /nfs/dbraw/zinc/50/70/14/315507014.db2.gz WCSQQHKXOVFRLL-OAHLLOKOSA-N 0 3 321.346 3.408 20 30 DGEDHN COC(=O)c1cccc(CNC2[C@@H](C)CCC[C@@H]2C)c1C#N ZINC000574439694 315966357 /nfs/dbraw/zinc/96/63/57/315966357.db2.gz LEAADAGOVPTTHN-STQMWFEESA-N 0 3 300.402 3.259 20 30 DGEDHN Cc1csc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1C#N ZINC000577073601 316200204 /nfs/dbraw/zinc/20/02/04/316200204.db2.gz WAFUFGHZLLWJTN-ZDUSSCGKSA-N 0 3 318.446 3.020 20 30 DGEDHN CCCN(CC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000577883567 316281770 /nfs/dbraw/zinc/28/17/70/316281770.db2.gz BTLLHZPRAXTMDD-SFHVURJKSA-N 0 3 311.429 3.176 20 30 DGEDHN COc1ccc(F)cc1[C@@H](C)NCCOc1ccccc1C#N ZINC000179957761 323218041 /nfs/dbraw/zinc/21/80/41/323218041.db2.gz NUIQIEAOXSOWIE-CYBMUJFWSA-N 0 3 314.360 3.436 20 30 DGEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)s1 ZINC000180539346 323232139 /nfs/dbraw/zinc/23/21/39/323232139.db2.gz RPYDTRAUZDTXIO-MRXNPFEDSA-N 0 3 312.438 3.453 20 30 DGEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000181771186 323268757 /nfs/dbraw/zinc/26/87/57/323268757.db2.gz FGFVZWCYVWIARA-HNNXBMFYSA-N 0 3 321.424 3.453 20 30 DGEDHN C[C@H](NCCN(C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000181856492 323272436 /nfs/dbraw/zinc/27/24/36/323272436.db2.gz UWKYBASYCQBVAT-HNNXBMFYSA-N 0 3 311.404 3.480 20 30 DGEDHN Cc1cccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000183730173 323346289 /nfs/dbraw/zinc/34/62/89/323346289.db2.gz QUOVIDDHEJAKRP-FUHWJXTLSA-N 0 3 324.424 3.266 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000580991797 324061566 /nfs/dbraw/zinc/06/15/66/324061566.db2.gz VPFHTOJTFXUYKQ-HKUYNNGSSA-N 0 3 310.397 3.039 20 30 DGEDHN CC[C@@H]1C[C@H](C)CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000580991452 324061599 /nfs/dbraw/zinc/06/15/99/324061599.db2.gz MDNXHIWZTPORSI-YXJHDRRASA-N 0 3 311.429 3.174 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000248877269 332874662 /nfs/dbraw/zinc/87/46/62/332874662.db2.gz REXBTZVDXVYMOD-UMVBOHGHSA-N 0 3 317.820 3.117 20 30 DGEDHN COc1cccc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000299710294 533710228 /nfs/dbraw/zinc/71/02/28/533710228.db2.gz QFHUJARGZJOROM-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN C=CCOc1ccc(CC(=O)Nc2ccccc2CN(C)C)cc1 ZINC000574956857 332885709 /nfs/dbraw/zinc/88/57/09/332885709.db2.gz ORVKSYVXWOLKLI-UHFFFAOYSA-N 0 3 324.424 3.494 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000180328731 331566443 /nfs/dbraw/zinc/56/64/43/331566443.db2.gz XVPGWQHNVQUIOA-KRWDZBQOSA-N 0 3 303.450 3.287 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\Sc2ccccc2)CC1 ZINC000255445874 331743313 /nfs/dbraw/zinc/74/33/13/331743313.db2.gz MQSMTDKPIHRPKD-UVTDQMKNSA-N 0 3 302.443 3.059 20 30 DGEDHN C=CCC[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC000556883676 331748239 /nfs/dbraw/zinc/74/82/39/331748239.db2.gz HBALAFMEUWXWDH-ZNMIVQPWSA-N 0 3 311.447 3.232 20 30 DGEDHN C[C@H](Cc1cccc(Br)c1)NC[C@H](C#N)CCC#N ZINC000557216086 331777289 /nfs/dbraw/zinc/77/72/89/331777289.db2.gz BFROYNMBBHLOAX-OCCSQVGLSA-N 0 3 320.234 3.413 20 30 DGEDHN C[C@@H](N[C@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000558461653 331909777 /nfs/dbraw/zinc/90/97/77/331909777.db2.gz ISVUOOUECAFYFT-CJNGLKHVSA-N 0 3 317.408 3.239 20 30 DGEDHN Cc1ccccc1CO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000072809935 331932414 /nfs/dbraw/zinc/93/24/14/331932414.db2.gz BSXOSLSJOMTBSY-XSFVSMFZSA-N 0 3 310.397 3.382 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000185030658 335108063 /nfs/dbraw/zinc/10/80/63/335108063.db2.gz YMIARYFSALMIPG-OAHLLOKOSA-N 0 3 304.459 3.195 20 30 DGEDHN C=CCOCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000293556376 335109035 /nfs/dbraw/zinc/10/90/35/335109035.db2.gz LTVAHTCGKKAVBE-AWEZNQCLSA-N 0 3 304.217 3.209 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC(C)(CC(C)C)CC2)CC1 ZINC000561720511 332485650 /nfs/dbraw/zinc/48/56/50/332485650.db2.gz NRZMTVDYOMIFOV-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CCC(C)(C)CNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000293718535 335112439 /nfs/dbraw/zinc/11/24/39/335112439.db2.gz GIWOBEWHSOQJPB-CABCVRRESA-N 0 3 301.386 3.009 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCCCC#N)[C@@H]2C1 ZINC000497187044 333218931 /nfs/dbraw/zinc/21/89/31/333218931.db2.gz MLVVVPPQHPTONA-LSDHHAIUSA-N 0 3 307.438 3.012 20 30 DGEDHN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)C#N ZINC000497281377 333231206 /nfs/dbraw/zinc/23/12/06/333231206.db2.gz JLSQZSYJOBUNSC-UHFFFAOYSA-N 0 3 309.454 3.115 20 30 DGEDHN CC(C#N)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000501330428 333272450 /nfs/dbraw/zinc/27/24/50/333272450.db2.gz QHAYGSJAHBUABL-ZDUSSCGKSA-N 0 3 312.344 3.436 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000295225324 335131189 /nfs/dbraw/zinc/13/11/89/335131189.db2.gz HWPRBODSQIMZEG-HXUWFJFHSA-N 0 3 312.457 3.323 20 30 DGEDHN C=C(CNC(=O)NCCN1CCCC[C@@H]1CC)c1ccccc1 ZINC000497818756 333296301 /nfs/dbraw/zinc/29/63/01/333296301.db2.gz WWYVSWNKOMXDBJ-SFHVURJKSA-N 0 3 315.461 3.264 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000295241504 335134226 /nfs/dbraw/zinc/13/42/26/335134226.db2.gz CXOYDFSJHSVPFV-SJORKVTESA-N 0 3 312.457 3.289 20 30 DGEDHN C=C[C@H](CC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000295241494 335134352 /nfs/dbraw/zinc/13/43/52/335134352.db2.gz CXOYDFSJHSVPFV-DLBZAZTESA-N 0 3 312.457 3.289 20 30 DGEDHN C=CC[C@H](C(=O)NCCN1CCC[C@H](C)C1)c1ccccc1 ZINC000188266046 333362142 /nfs/dbraw/zinc/36/21/42/333362142.db2.gz QLBAWNWCWHFUER-WMZOPIPTSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(Br)cs1 ZINC000320184205 333447720 /nfs/dbraw/zinc/44/77/20/333447720.db2.gz AAWISRISKVKNPX-KOLCDFICSA-N 0 3 304.253 3.488 20 30 DGEDHN COc1ccc([C@H](O)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293550140 334199017 /nfs/dbraw/zinc/19/90/17/334199017.db2.gz KYUCNMPBRCPNQS-LJHODMEESA-N 0 3 314.429 3.133 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000303217224 334304742 /nfs/dbraw/zinc/30/47/42/334304742.db2.gz TXQGFKSFXIQUDS-IBGZPJMESA-N 0 3 312.457 3.457 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@@H]3CCOC3)c2)n1 ZINC000534923873 334348790 /nfs/dbraw/zinc/34/87/90/334348790.db2.gz YLMVPRDZYFCTSF-HUUCEWRRSA-N 0 3 312.394 3.446 20 30 DGEDHN C=CCCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000175745816 337147078 /nfs/dbraw/zinc/14/70/78/337147078.db2.gz ZZVFYBHMRWOPPJ-QGZVFWFLSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccccc2C)CC1 ZINC000106035087 337812272 /nfs/dbraw/zinc/81/22/72/337812272.db2.gz ZJZNPHNOISZPNQ-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1F)C(C)C ZINC000046049362 337831708 /nfs/dbraw/zinc/83/17/08/337831708.db2.gz HXVSWRFARIFKFK-QGZVFWFLSA-N 0 3 304.409 3.254 20 30 DGEDHN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1CCCCC1 ZINC000498806534 340023707 /nfs/dbraw/zinc/02/37/07/340023707.db2.gz SFRXKSYYIVIVQN-SFHVURJKSA-N 0 3 307.482 3.333 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCCC2)C1=O ZINC000499605454 340040722 /nfs/dbraw/zinc/04/07/22/340040722.db2.gz ZTSHZCMGXBUXJW-MSOLQXFVSA-N 0 3 316.420 3.434 20 30 DGEDHN C=C(CC)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000500434617 340058649 /nfs/dbraw/zinc/05/86/49/340058649.db2.gz FWTNHALEONZLAA-CRAIPNDOSA-N 0 3 301.434 3.342 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H](C)C(C)C)C(C)C ZINC000501751721 340087885 /nfs/dbraw/zinc/08/78/85/340087885.db2.gz GPWAPIYYQSGUBY-DLBZAZTESA-N 0 3 309.498 3.371 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](C)C1)C(C)C ZINC000503440330 340128327 /nfs/dbraw/zinc/12/83/27/340128327.db2.gz UVLLJTJAUPTGLE-IRXDYDNUSA-N 0 3 307.482 3.127 20 30 DGEDHN C=C(C)CN(CC)Cc1ccccc1N1CCN(CC)CC1 ZINC000505887267 340180845 /nfs/dbraw/zinc/18/08/45/340180845.db2.gz VSQCTSMCUCRPNI-UHFFFAOYSA-N 0 3 301.478 3.227 20 30 DGEDHN CCOC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000506516274 340196149 /nfs/dbraw/zinc/19/61/49/340196149.db2.gz MHTYTUALXKEURL-KRWDZBQOSA-N 0 3 314.429 3.224 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508896697 340255411 /nfs/dbraw/zinc/25/54/11/340255411.db2.gz IQERVLAWOOSNEZ-DOTOQJQBSA-N 0 3 303.450 3.204 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000509582001 340274021 /nfs/dbraw/zinc/27/40/21/340274021.db2.gz FTLLTGHCNVWLAO-GJZGRUSLSA-N 0 3 307.438 3.316 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NCCN1CCC(C)CC1 ZINC000303481640 340327627 /nfs/dbraw/zinc/32/76/27/340327627.db2.gz TVSBIYFBLVCCGU-UHFFFAOYSA-N 0 3 321.509 3.496 20 30 DGEDHN C=CCOc1ccc(CNCc2cnc3ccc(C)cn23)cc1 ZINC000512536015 340365988 /nfs/dbraw/zinc/36/59/88/340365988.db2.gz FLTZKURAQSJTHT-UHFFFAOYSA-N 0 3 307.397 3.497 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000176694924 340430314 /nfs/dbraw/zinc/43/03/14/340430314.db2.gz ANFYOVKHNBPBTL-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](CC)Cc2ccccc2)CC1 ZINC000522135911 340576281 /nfs/dbraw/zinc/57/62/81/340576281.db2.gz YPXISSZKQDQYJQ-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN COc1ccc([C@H](NCc2ccc(CC#N)cc2)C2CC2)cn1 ZINC000528853191 340736865 /nfs/dbraw/zinc/73/68/65/340736865.db2.gz QHTBFWAFSRNQHO-LJQANCHMSA-N 0 3 307.397 3.397 20 30 DGEDHN COc1cccc([C@@H](CNCc2ccc(C#N)c(C)c2)N(C)C)c1 ZINC000443990227 533718332 /nfs/dbraw/zinc/71/83/32/533718332.db2.gz SOZKWXQAUMVLPO-HXUWFJFHSA-N 0 3 323.440 3.268 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(F)cc1Br ZINC000539296557 340879851 /nfs/dbraw/zinc/87/98/51/340879851.db2.gz CIYYJPKTSOWGPY-WDEREUQCSA-N 0 3 316.214 3.423 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000543628671 341051993 /nfs/dbraw/zinc/05/19/93/341051993.db2.gz WAPICBZOLGSTKT-RYQLBKOJSA-N 0 3 315.461 3.161 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@](C)(CC)C2)CC1 ZINC000074129899 341129508 /nfs/dbraw/zinc/12/95/08/341129508.db2.gz FHTXSADAAUVCHL-GOSISDBHSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C)[C@H]2CCC)CC1 ZINC000074132422 341129511 /nfs/dbraw/zinc/12/95/11/341129511.db2.gz XGVRTCCVYZZDCL-DOTOQJQBSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2c(C)cccc2C)CC1 ZINC000546177300 341155977 /nfs/dbraw/zinc/15/59/77/341155977.db2.gz MXSCCEHVYBXDJS-INIZCTEOSA-N 0 3 315.461 3.314 20 30 DGEDHN Cc1cccc(NCCNCc2cccc(OCCCC#N)c2)n1 ZINC000133531311 341177500 /nfs/dbraw/zinc/17/75/00/341177500.db2.gz NTBDYZBIKMHWLD-UHFFFAOYSA-N 0 3 324.428 3.274 20 30 DGEDHN C=CCCCc1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000547004938 341191160 /nfs/dbraw/zinc/19/11/60/341191160.db2.gz LMGRBKKGEZXAGS-UHFFFAOYSA-N 0 3 301.390 3.186 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000547475906 341216090 /nfs/dbraw/zinc/21/60/90/341216090.db2.gz VMQXJTAARUWQES-INIZCTEOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)COCCNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000134508036 341216607 /nfs/dbraw/zinc/21/66/07/341216607.db2.gz UUAZOXWXJQVFNR-UHFFFAOYSA-N 0 3 317.408 3.311 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CCC1CC1 ZINC000135301310 341236189 /nfs/dbraw/zinc/23/61/89/341236189.db2.gz UYQXBTXEUXXWIW-CQSZACIVSA-N 0 3 317.408 3.193 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000548271879 341253672 /nfs/dbraw/zinc/25/36/72/341253672.db2.gz IEYFGJPAKTZMNX-CQSZACIVSA-N 0 3 304.459 3.179 20 30 DGEDHN CN(CCOc1ccc(Br)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000549337271 341291498 /nfs/dbraw/zinc/29/14/98/341291498.db2.gz LYRBCBSZBQIMHL-TZMCWYRMSA-N 0 3 323.234 3.452 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](CC)C1 ZINC000246273537 341339472 /nfs/dbraw/zinc/33/94/72/341339472.db2.gz SDCSAQUFRMPZHS-CABCVRRESA-N 0 3 306.475 3.383 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC=CC[C@H]1C)C(C)C ZINC000551490018 341342832 /nfs/dbraw/zinc/34/28/32/341342832.db2.gz XGWHCEQJXFGFMA-KURKYZTESA-N 0 3 304.478 3.404 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000552325677 341386742 /nfs/dbraw/zinc/38/67/42/341386742.db2.gz YUMIZXHQGJZJIV-CQSZACIVSA-N 0 3 305.418 3.461 20 30 DGEDHN C=CC[C@@H](C(=O)NCCN1CCC[C@H](C)C1)c1ccccc1 ZINC000249579323 341399494 /nfs/dbraw/zinc/39/94/94/341399494.db2.gz QLBAWNWCWHFUER-FUHWJXTLSA-N 0 3 300.446 3.194 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000432292556 533732326 /nfs/dbraw/zinc/73/23/26/533732326.db2.gz WOCUSHSNXWAODU-UONOGXRCSA-N 0 3 314.433 3.251 20 30 DGEDHN COc1cc(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)ccc1C#N ZINC000442890114 533794724 /nfs/dbraw/zinc/79/47/24/533794724.db2.gz NCYBYNARVYOBLG-AEFFLSMTSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@H](NCCSC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000181542869 533863844 /nfs/dbraw/zinc/86/38/44/533863844.db2.gz GRPCRYAYGRLIGB-JTQLQIEISA-N 0 3 304.337 3.493 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1csc(Cl)c1 ZINC001497277436 1185308759 /nfs/dbraw/zinc/30/87/59/1185308759.db2.gz RQRHHNKLCYFBTQ-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000182391356 534204935 /nfs/dbraw/zinc/20/49/35/534204935.db2.gz AZYHHIPYVXPBHZ-ZDUSSCGKSA-N 0 3 312.369 3.154 20 30 DGEDHN COc1ccc(O)c([C@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000182391356 534204936 /nfs/dbraw/zinc/20/49/36/534204936.db2.gz AZYHHIPYVXPBHZ-ZDUSSCGKSA-N 0 3 312.369 3.154 20 30 DGEDHN C[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000429583346 534246466 /nfs/dbraw/zinc/24/64/66/534246466.db2.gz KCULMNMPFCSPTR-RISCZKNCSA-N 0 3 305.809 3.271 20 30 DGEDHN CC(C#N)C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000347072256 534281927 /nfs/dbraw/zinc/28/19/27/534281927.db2.gz PJSLLPUZZOIDRO-OAHLLOKOSA-N 0 3 324.428 3.408 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000458986006 534506092 /nfs/dbraw/zinc/50/60/92/534506092.db2.gz JWDZGZINDDANGP-UHFFFAOYSA-N 0 3 309.479 3.034 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000458988515 534506642 /nfs/dbraw/zinc/50/66/42/534506642.db2.gz OACXDPWWOXGOQJ-UHFFFAOYSA-N 0 3 321.440 3.111 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458805950 534546178 /nfs/dbraw/zinc/54/61/78/534546178.db2.gz BINNAEXOGNPQOY-UHFFFAOYSA-N 0 3 323.506 3.424 20 30 DGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000489487674 534558917 /nfs/dbraw/zinc/55/89/17/534558917.db2.gz XCWZGEUGYYGHPE-CQSZACIVSA-N 0 3 317.389 3.272 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(C)=O)ccc1OCC ZINC000451674814 534573142 /nfs/dbraw/zinc/57/31/42/534573142.db2.gz NXWVHVQBVQXNEL-SJORKVTESA-N 0 3 303.402 3.111 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OCC(F)(F)F)c1 ZINC000449547117 534575328 /nfs/dbraw/zinc/57/53/28/534575328.db2.gz GNHKLUJOTOAKQJ-CABCVRRESA-N 0 3 315.335 3.451 20 30 DGEDHN C=CCC1(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)CCCC1 ZINC000459058379 534598133 /nfs/dbraw/zinc/59/81/33/534598133.db2.gz ZULLYJAGNQNASP-MRXNPFEDSA-N 0 3 321.509 3.495 20 30 DGEDHN 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321.490 3.275 20 30 DGEDHN CC(C)(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000152301153 526277671 /nfs/dbraw/zinc/27/76/71/526277671.db2.gz QKDWHVPGQBPATC-IBGZPJMESA-N 0 3 313.445 3.096 20 30 DGEDHN CC#CCCCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000185556364 526288237 /nfs/dbraw/zinc/28/82/37/526288237.db2.gz IHLMKPORPZZWDL-UHFFFAOYSA-N 0 3 312.457 3.303 20 30 DGEDHN CC#CCCN1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC000441335644 526309239 /nfs/dbraw/zinc/30/92/39/526309239.db2.gz ZYPBVKDWFZIUAU-QGZVFWFLSA-N 0 3 300.446 3.005 20 30 DGEDHN C=CCN(C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000357528333 526331321 /nfs/dbraw/zinc/33/13/21/526331321.db2.gz LCUPBTFWCPFKQK-PKOBYXMFSA-N 0 3 301.430 3.092 20 30 DGEDHN C=CCN(C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357534805 526331422 /nfs/dbraw/zinc/33/14/22/526331422.db2.gz XXIWBAIYGILVKL-SUMWQHHRSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)N(CC)CC ZINC000346010085 526343576 /nfs/dbraw/zinc/34/35/76/526343576.db2.gz 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547446406 /nfs/dbraw/zinc/44/64/06/547446406.db2.gz XKYUOJLLJJHHGL-HXUWFJFHSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000668369957 547446434 /nfs/dbraw/zinc/44/64/34/547446434.db2.gz JJXXZUPHHDVRMI-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000671704336 547811857 /nfs/dbraw/zinc/81/18/57/547811857.db2.gz BJIJWOVGBUFQEH-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN CN1CCC(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000673634704 547976536 /nfs/dbraw/zinc/97/65/36/547976536.db2.gz OOHMECPOJKLQSK-UHFFFAOYSA-N 0 3 324.449 3.428 20 30 DGEDHN C=C(C)[C@@H](CO)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000677047990 548442295 /nfs/dbraw/zinc/44/22/95/548442295.db2.gz MTQKPZKXWLNSBO-OAHLLOKOSA-N 0 3 324.262 3.350 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678743271 548756057 /nfs/dbraw/zinc/75/60/57/548756057.db2.gz CNOXYOSJHWFZFQ-DNVCBOLYSA-N 0 3 312.413 3.248 20 30 DGEDHN COCC#CCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000678748871 548756611 /nfs/dbraw/zinc/75/66/11/548756611.db2.gz HDZRWSZXKMROOL-ZDUSSCGKSA-N 0 3 300.427 3.419 20 30 DGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000678754008 548757794 /nfs/dbraw/zinc/75/77/94/548757794.db2.gz BLXSVTPVLYGZRW-HOCLYGCPSA-N 0 3 307.434 3.462 20 30 DGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000678785658 548763251 /nfs/dbraw/zinc/76/32/51/548763251.db2.gz OUMQVDIWKRYHAS-XEZPLFJOSA-N 0 3 300.402 3.249 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccccc1-n1cncn1 ZINC000679364952 548887018 /nfs/dbraw/zinc/88/70/18/548887018.db2.gz UPTKMCCNORVUSN-UHFFFAOYSA-N 0 3 308.385 3.091 20 30 DGEDHN C=CCOCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000679576119 548920355 /nfs/dbraw/zinc/92/03/55/548920355.db2.gz IBDACPUWMMFUDL-AWEZNQCLSA-N 0 3 303.324 3.185 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000679576928 548920753 /nfs/dbraw/zinc/92/07/53/548920753.db2.gz YVPDHUZYBYQNIC-AWEZNQCLSA-N 0 3 305.422 3.070 20 30 DGEDHN C=CC[C@H](CO)NCc1cc(F)ccc1N(C)C[C@H](C)CC ZINC000680485218 549059364 /nfs/dbraw/zinc/05/93/64/549059364.db2.gz VPOYSGKPBXBRPJ-RHSMWYFYSA-N 0 3 308.441 3.335 20 30 DGEDHN C=CCOCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000681742884 549248867 /nfs/dbraw/zinc/24/88/67/549248867.db2.gz SZZFPGWCEQVUCS-ZDUSSCGKSA-N 0 3 300.324 3.270 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000683012418 549414566 /nfs/dbraw/zinc/41/45/66/549414566.db2.gz UNKPRBLGESQOPO-NRFANRHFSA-N 0 3 304.437 3.244 20 30 DGEDHN C=CCCCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000684141398 549584151 /nfs/dbraw/zinc/58/41/51/549584151.db2.gz DAILZKBQIQHTTE-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@H](Cc3ccc(C)cc3)C2)C1=O ZINC000685000027 549731810 /nfs/dbraw/zinc/73/18/10/549731810.db2.gz CHUZGAYYCOTHHM-OALUTQOASA-N 0 3 312.457 3.036 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1=O ZINC000685002248 549732737 /nfs/dbraw/zinc/73/27/37/549732737.db2.gz CUPZWKOFEVMDDO-VQIMIIECSA-N 0 3 323.440 3.134 20 30 DGEDHN COCC#CCNC(C)(C)c1ccc(Br)c(C)c1 ZINC000685613281 549780718 /nfs/dbraw/zinc/78/07/18/549780718.db2.gz HJWZYFZQCGRCOR-UHFFFAOYSA-N 0 3 310.235 3.232 20 30 DGEDHN C=CCOC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000731252803 574546236 /nfs/dbraw/zinc/54/62/36/574546236.db2.gz QMTUIVMQRBTPKN-OAHLLOKOSA-N 0 3 303.402 3.283 20 30 DGEDHN CC[C@@H](C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732205287 574568224 /nfs/dbraw/zinc/56/82/24/574568224.db2.gz FCAHUAQTGZCDJE-CHWSQXEVSA-N 0 3 315.442 3.450 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(Cl)n1)C(C)C ZINC000733161568 574600209 /nfs/dbraw/zinc/60/02/09/574600209.db2.gz MRAOKWJNPZXESL-HNNXBMFYSA-N 0 3 321.852 3.163 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Cl)nc1)C(C)C ZINC000733162165 574600393 /nfs/dbraw/zinc/60/03/93/574600393.db2.gz TXIIESYMDSOXHF-OAHLLOKOSA-N 0 3 321.852 3.163 20 30 DGEDHN CC1(C)CN(CCCOc2ccc(C#N)cc2)C(C)(C)CO1 ZINC000734485934 574662717 /nfs/dbraw/zinc/66/27/17/574662717.db2.gz VGBNHDWCPAUXFK-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc(F)cc3)nc21 ZINC000735790945 574715049 /nfs/dbraw/zinc/71/50/49/574715049.db2.gz GKCZSLSKOTXSBK-CQSZACIVSA-N 0 3 307.328 3.429 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc(C#N)cc3)nc21 ZINC000735791955 574715745 /nfs/dbraw/zinc/71/57/45/574715745.db2.gz DVMJWCBRJUMJFK-HNNXBMFYSA-N 0 3 314.348 3.162 20 30 DGEDHN CC[N@H+](CCC(C)(C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538514 574757527 /nfs/dbraw/zinc/75/75/27/574757527.db2.gz XWTGFFCJLXVVNG-CYBMUJFWSA-N 0 3 312.421 3.189 20 30 DGEDHN CC[N@@H+](CCC(C)(C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538514 574757529 /nfs/dbraw/zinc/75/75/29/574757529.db2.gz XWTGFFCJLXVVNG-CYBMUJFWSA-N 0 3 312.421 3.189 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000736671157 574802427 /nfs/dbraw/zinc/80/24/27/574802427.db2.gz BGFHNKOWYQRWGY-SMDDNHRTSA-N 0 3 321.218 3.142 20 30 DGEDHN C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000205253682 574815123 /nfs/dbraw/zinc/81/51/23/574815123.db2.gz QFYSULZSHPHNAF-STQMWFEESA-N 0 3 303.406 3.122 20 30 DGEDHN C=C(C)CN(CC)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000740874088 574944457 /nfs/dbraw/zinc/94/44/57/574944457.db2.gz YGLXWJCRAAQEJK-UHFFFAOYSA-N 0 3 301.386 3.378 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000741579560 574963354 /nfs/dbraw/zinc/96/33/54/574963354.db2.gz NQJGARKZRJYSNR-IAGOWNOFSA-N 0 3 312.498 3.162 20 30 DGEDHN COc1ccc(CNC[C@@H](c2ccsc2)N(C)C)cc1C#N ZINC000742366671 574992489 /nfs/dbraw/zinc/99/24/89/574992489.db2.gz OWHWSTJQXTWWFQ-INIZCTEOSA-N 0 3 315.442 3.021 20 30 DGEDHN N#CCCn1cc(CNCCOC2CCC2)c(-c2ccccc2)n1 ZINC000742385877 574995051 /nfs/dbraw/zinc/99/50/51/574995051.db2.gz ZMIRHLSSHABSGE-UHFFFAOYSA-N 0 3 324.428 3.122 20 30 DGEDHN C#CCCCN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000743485694 575054435 /nfs/dbraw/zinc/05/44/35/575054435.db2.gz SGZIQUIKXTWJMT-LJQANCHMSA-N 0 3 322.408 3.378 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000743493335 575054612 /nfs/dbraw/zinc/05/46/12/575054612.db2.gz OAAZKGKVOIBMOJ-AWEZNQCLSA-N 0 3 318.848 3.047 20 30 DGEDHN CC(=NNc1cccc(C#N)c1)c1cccc(OCCN(C)C)c1 ZINC000743531145 575055673 /nfs/dbraw/zinc/05/56/73/575055673.db2.gz HAAAGGPJBTYZTM-UHFFFAOYSA-N 0 3 322.412 3.335 20 30 DGEDHN C=C(Cl)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000743620444 575058916 /nfs/dbraw/zinc/05/89/16/575058916.db2.gz MPRFXYGNFMEZPG-OAHLLOKOSA-N 0 3 321.852 3.045 20 30 DGEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000744028791 575069188 /nfs/dbraw/zinc/06/91/88/575069188.db2.gz MLIABGAPPMJYAU-ZFWWWQNUSA-N 0 3 310.353 3.348 20 30 DGEDHN [O-]c1ccc(Cl)cc1/C=N/CC1([NH+]2CCCC2)CCOCC1 ZINC000729641499 575258362 /nfs/dbraw/zinc/25/83/62/575258362.db2.gz KILPGGVGYWBCDK-XDHOZWIPSA-N 0 3 322.836 3.110 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000744656347 575351643 /nfs/dbraw/zinc/35/16/43/575351643.db2.gz DZADUWKRSFSIKN-SJORKVTESA-N 0 3 310.482 3.059 20 30 DGEDHN C#CCN(C[C@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000744739258 575353796 /nfs/dbraw/zinc/35/37/96/575353796.db2.gz PWWOLQZXKZVWMF-INIZCTEOSA-N 0 3 321.848 3.348 20 30 DGEDHN C#CCN(C(=O)NC[C@H](C)N1CCC[C@H](C)C1)C1CCCCC1 ZINC000744843239 575359994 /nfs/dbraw/zinc/35/99/94/575359994.db2.gz BIUZZEZEAPMTOR-IRXDYDNUSA-N 0 3 319.493 3.084 20 30 DGEDHN Cc1nnc(C)n1N=C[C@H](C)c1cccc(Br)c1 ZINC000747629763 575528024 /nfs/dbraw/zinc/52/80/24/575528024.db2.gz IASGNQWXVWLZNN-VIFPVBQESA-N 0 3 307.195 3.295 20 30 DGEDHN CCCCCCCCCN(C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000747840852 575545444 /nfs/dbraw/zinc/54/54/44/575545444.db2.gz XAVLWFJQATWOCW-SFHVURJKSA-N 0 3 324.509 3.449 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(OC)n2)c([O-])c1 ZINC000748035012 575557703 /nfs/dbraw/zinc/55/77/03/575557703.db2.gz YJYOAUSZSHCVJP-UNOMPAQXSA-N 0 3 313.401 3.261 20 30 DGEDHN CCN(CC)CC#C[C@H](C)OC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000748905394 575614307 /nfs/dbraw/zinc/61/43/07/575614307.db2.gz IGJVFVGMIRXXBT-ARFHVFGLSA-N 0 3 319.470 3.437 20 30 DGEDHN CCC[C@H](C)CC(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000749056022 575624511 /nfs/dbraw/zinc/62/45/11/575624511.db2.gz ODLHTYITDITBSF-WDEREUQCSA-N 0 3 308.403 3.322 20 30 DGEDHN CCC[C@@H](C)CC(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000749056019 575624531 /nfs/dbraw/zinc/62/45/31/575624531.db2.gz ODLHTYITDITBSF-GHMZBOCLSA-N 0 3 308.403 3.322 20 30 DGEDHN C=C(Cl)COC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000749286066 575642633 /nfs/dbraw/zinc/64/26/33/575642633.db2.gz LJEJBTOZDZETTJ-UHFFFAOYSA-N 0 3 322.836 3.126 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750259892 575714687 /nfs/dbraw/zinc/71/46/87/575714687.db2.gz AGWUHPKUYBUYNZ-UONOGXRCSA-N 0 3 320.820 3.101 20 30 DGEDHN Cc1cccnc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000750683417 575745012 /nfs/dbraw/zinc/74/50/12/575745012.db2.gz CYXRTKUXSSCIJQ-ZDUSSCGKSA-N 0 3 313.744 3.005 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000726189561 576011420 /nfs/dbraw/zinc/01/14/20/576011420.db2.gz CWBDCJBJVFTKGR-APWZRJJASA-N 0 3 312.457 3.426 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000726971735 576089546 /nfs/dbraw/zinc/08/95/46/576089546.db2.gz PRGOFUZXPGJUDI-LBPRGKRZSA-N 0 3 315.442 3.450 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@H](OC)C1 ZINC000728049641 576160184 /nfs/dbraw/zinc/16/01/84/576160184.db2.gz IPTJEFJYKXQZEX-AWEZNQCLSA-N 0 3 317.458 3.383 20 30 DGEDHN N#Cc1ccc(OCCCN2CCC(c3ccon3)CC2)cc1 ZINC000852673428 620639854 /nfs/dbraw/zinc/63/98/54/620639854.db2.gz QZORNSDISAFRHN-UHFFFAOYSA-N 0 3 311.385 3.195 20 30 DGEDHN C[C@@]1(C#N)CCN(CCCCCCN2CC[C@@](C)(C#N)C2)C1 ZINC000852686070 620641069 /nfs/dbraw/zinc/64/10/69/620641069.db2.gz FEXVPKMHZWQCEX-ROUUACIJSA-N 0 3 302.466 3.018 20 30 DGEDHN Cc1ccc(N2CCN(CCCSCC#N)CC2)c(C)c1 ZINC000852743341 620645112 /nfs/dbraw/zinc/64/51/12/620645112.db2.gz WXNCIEVXZMBEAB-UHFFFAOYSA-N 0 3 303.475 3.072 20 30 DGEDHN C#CCCN(CCOC)Cc1cc(Cl)cc2cccnc21 ZINC000852751945 620646344 /nfs/dbraw/zinc/64/63/44/620646344.db2.gz PRNVJJTWIWFOKK-UHFFFAOYSA-N 0 3 302.805 3.360 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccccc1F)[C@H]1CCc2ccccc21 ZINC000917117427 620657158 /nfs/dbraw/zinc/65/71/58/620657158.db2.gz KEUFGBQHOFNBQM-VQTJNVASSA-N 0 3 309.384 3.482 20 30 DGEDHN CC(C)CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917170661 620659673 /nfs/dbraw/zinc/65/96/73/620659673.db2.gz USMVTIOHKVKNRK-CYBMUJFWSA-N 0 3 315.442 3.450 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2SCCS2)c([O-])c1 ZINC000852998580 620658880 /nfs/dbraw/zinc/65/88/80/620658880.db2.gz OUQJVWGUJRYAFY-YBEGLDIGSA-N 0 3 310.488 3.463 20 30 DGEDHN CC1(C)CCC[C@H]1NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853340801 620687966 /nfs/dbraw/zinc/68/79/66/620687966.db2.gz JCPLZMRZBIWAOX-GOSISDBHSA-N 0 3 315.461 3.150 20 30 DGEDHN C=CC[C@@H]1CCCN(Cn2ccc(-c3ccc(F)cn3)n2)C1 ZINC000853536386 620708121 /nfs/dbraw/zinc/70/81/21/620708121.db2.gz BODXLCLHHXDDLW-CQSZACIVSA-N 0 3 300.381 3.330 20 30 DGEDHN CCCCCCCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000918493770 620710016 /nfs/dbraw/zinc/71/00/16/620710016.db2.gz CUVSZPFUPOYZRE-NWDGAFQWSA-N 0 3 323.355 3.347 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000853598430 620714200 /nfs/dbraw/zinc/71/42/00/620714200.db2.gz QYZKYVUXYSQDFZ-OKILXGFUSA-N 0 3 312.373 3.393 20 30 DGEDHN C#C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000890654329 617634621 /nfs/dbraw/zinc/63/46/21/617634621.db2.gz BFSPVGTVILBZRN-LJQANCHMSA-N 0 3 310.441 3.300 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891242394 617758598 /nfs/dbraw/zinc/75/85/98/617758598.db2.gz FYMKNUBPODGLIA-YJBOKZPZSA-N 0 3 317.477 3.074 20 30 DGEDHN C=C1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000891542191 617830560 /nfs/dbraw/zinc/83/05/60/617830560.db2.gz KSBFVUVKGYZOQZ-HNNXBMFYSA-N 0 3 319.474 3.247 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CCCCO1 ZINC000111943086 620771762 /nfs/dbraw/zinc/77/17/62/620771762.db2.gz PSWUTDWVCZLBCQ-KGLIPLIRSA-N 0 3 311.385 3.099 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCc2sccc2C1=O)c1ccccn1 ZINC000892481651 618078163 /nfs/dbraw/zinc/07/81/63/618078163.db2.gz REMSVABYIMEJMH-YPMHNXCESA-N 0 3 310.378 3.155 20 30 DGEDHN N#CC(C(=O)CCF)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000892485025 618079380 /nfs/dbraw/zinc/07/93/80/618079380.db2.gz SRJYBSSNEUSLRH-JTQLQIEISA-N 0 3 316.304 3.008 20 30 DGEDHN C=CCCCC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854334741 620795977 /nfs/dbraw/zinc/79/59/77/620795977.db2.gz QFCPGDNNRRWJLK-QGZVFWFLSA-N 0 3 324.509 3.063 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC3(CC3)C2)CC1 ZINC000892851957 618329342 /nfs/dbraw/zinc/32/93/42/618329342.db2.gz UAISFVQXIBPQHM-INIZCTEOSA-N 0 3 305.466 3.049 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000894750180 618445326 /nfs/dbraw/zinc/44/53/26/618445326.db2.gz GYMXTUBXLORONO-DOTOQJQBSA-N 0 3 301.434 3.039 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894930795 618500204 /nfs/dbraw/zinc/50/02/04/618500204.db2.gz VWZFVMSTKGOSDX-LBPRGKRZSA-N 0 3 318.295 3.030 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895100673 618536926 /nfs/dbraw/zinc/53/69/26/618536926.db2.gz DTMXILIXMWXBHP-NSHDSACASA-N 0 3 302.365 3.483 20 30 DGEDHN C=CC[C@@H](CO)NCc1sccc1NC(=O)OC(C)(C)C ZINC000893567566 618604183 /nfs/dbraw/zinc/60/41/83/618604183.db2.gz NKNDUGFQAVBLOP-NSHDSACASA-N 0 3 312.435 3.122 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000924926652 618740407 /nfs/dbraw/zinc/74/04/07/618740407.db2.gz MAECHYRQTQIHEG-DOMZBBRYSA-N 0 3 314.351 3.354 20 30 DGEDHN CCC[C@@H](NC1CCN(CC#N)CC1)c1ncccc1Cl ZINC000925002310 618761166 /nfs/dbraw/zinc/76/11/66/618761166.db2.gz JYYFVEKQSCGERL-OAHLLOKOSA-N 0 3 306.841 3.154 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000895469459 618788893 /nfs/dbraw/zinc/78/88/93/618788893.db2.gz ZEIXRUSYWSICEE-QGZVFWFLSA-N 0 3 324.449 3.296 20 30 DGEDHN COc1ccc(CN2CC[C@H](CF)C2)cc1OCCCC#N ZINC000895573754 618800346 /nfs/dbraw/zinc/80/03/46/618800346.db2.gz LOVRAVBAWXJEBS-OAHLLOKOSA-N 0 3 306.381 3.169 20 30 DGEDHN C#CCC1(O)CCN(Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000895669803 618815887 /nfs/dbraw/zinc/81/58/87/618815887.db2.gz GWAPCFPSAANUTE-UHFFFAOYSA-N 0 3 301.430 3.214 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1Cl ZINC000895785596 618830731 /nfs/dbraw/zinc/83/07/31/618830731.db2.gz WHNCQFWMYHTVMB-IJEWVQPXSA-N 0 3 307.821 3.108 20 30 DGEDHN C=CCC1(O)CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000895835684 618840326 /nfs/dbraw/zinc/84/03/26/618840326.db2.gz LCAFNFIYBCDDIU-UHFFFAOYSA-N 0 3 305.466 3.158 20 30 DGEDHN Cc1sccc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896653038 618941444 /nfs/dbraw/zinc/94/14/44/618941444.db2.gz HLVPVYLLLBOJTI-INIZCTEOSA-N 0 3 312.442 3.400 20 30 DGEDHN CSCC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000896933800 618988653 /nfs/dbraw/zinc/98/86/53/618988653.db2.gz BRPKZNDENBEVKM-UHFFFAOYSA-N 0 3 303.475 3.199 20 30 DGEDHN COC(=O)CCC[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000897630101 619169133 /nfs/dbraw/zinc/16/91/33/619169133.db2.gz RBUIZVZCDQVQDL-OLZOCXBDSA-N 0 3 321.446 3.006 20 30 DGEDHN CC(C)(C#N)c1ccc(CNCc2ccc3nonc3c2)cc1 ZINC000897990300 619203669 /nfs/dbraw/zinc/20/36/69/619203669.db2.gz PDARWAXIUDZTRU-UHFFFAOYSA-N 0 3 306.369 3.314 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927066335 619261601 /nfs/dbraw/zinc/26/16/01/619261601.db2.gz BHBWMZMXGVNDJN-HNAYVOBHSA-N 0 3 311.429 3.480 20 30 DGEDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(C#N)c1[O-] ZINC000924716888 619264742 /nfs/dbraw/zinc/26/47/42/619264742.db2.gz ROYNOCTUDHGCNR-WMLDXEAASA-N 0 3 301.434 3.036 20 30 DGEDHN N#CC1(CCCCOc2ccc3c(c2)OCCNC3)CCC1 ZINC000899588581 619357934 /nfs/dbraw/zinc/35/79/34/619357934.db2.gz WMNLQLDBRIUHJA-UHFFFAOYSA-N 0 3 300.402 3.412 20 30 DGEDHN C#CCN(C(=S)Nc1cccc(Cl)c1)C1CCN(C)CC1 ZINC000899613816 619361058 /nfs/dbraw/zinc/36/10/58/619361058.db2.gz PSSJHPPKIUSVOR-UHFFFAOYSA-N 0 3 321.877 3.066 20 30 DGEDHN CC[C@H](C#N)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000899671845 619364382 /nfs/dbraw/zinc/36/43/82/619364382.db2.gz FLZHZBIJMJEGJA-SNVBAGLBSA-N 0 3 313.323 3.255 20 30 DGEDHN CC[C@@H](C#N)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900836218 619456685 /nfs/dbraw/zinc/45/66/85/619456685.db2.gz PNZLOZDINQSRRZ-INIZCTEOSA-N 0 3 321.424 3.032 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000901678151 619532667 /nfs/dbraw/zinc/53/26/67/619532667.db2.gz BZBPEDRTHOMAAJ-XIRDDKMYSA-N 0 3 308.466 3.039 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC000901679759 619532751 /nfs/dbraw/zinc/53/27/51/619532751.db2.gz PYYOEEPWJMSKCS-UAGQMJEPSA-N 0 3 308.466 3.039 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)N1CCc2ccccc2C1 ZINC000902770552 619673448 /nfs/dbraw/zinc/67/34/48/619673448.db2.gz PWTGMVVIOPUPLK-HOTGVXAUSA-N 0 3 320.440 3.051 20 30 DGEDHN COc1ccccc1O[C@H](C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902821311 619679200 /nfs/dbraw/zinc/67/92/00/619679200.db2.gz HQYBQTWYWJTAIC-ZIAGYGMSSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@@H](NC1CC(OCc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902956816 619697345 /nfs/dbraw/zinc/69/73/45/619697345.db2.gz NAWTYQNMDPYJMC-RWBZWWBESA-N 0 3 307.397 3.352 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1cccc(C#N)c1 ZINC000903017592 619702374 /nfs/dbraw/zinc/70/23/74/619702374.db2.gz WCIVWXUQTZMKJN-WMLDXEAASA-N 0 3 322.412 3.330 20 30 DGEDHN C=CCC[C@H](NCc1ncccc1OC)[C@]1(C)CCCCO1 ZINC000903013811 619704437 /nfs/dbraw/zinc/70/44/37/619704437.db2.gz JGKBMNQGGPRHEU-ROUUACIJSA-N 0 3 304.434 3.474 20 30 DGEDHN CC[C@@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000903088545 619713905 /nfs/dbraw/zinc/71/39/05/619713905.db2.gz KZFRQGYMCPGOAD-NEPJUHHUSA-N 0 3 322.277 3.157 20 30 DGEDHN C[C@H](N[C@@H](CO)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000903293425 619752456 /nfs/dbraw/zinc/75/24/56/619752456.db2.gz SAYGZLQFGUHWDZ-WMLDXEAASA-N 0 3 312.388 3.342 20 30 DGEDHN C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378178 619768186 /nfs/dbraw/zinc/76/81/86/619768186.db2.gz PEMJDTMLDCPADN-KBXCAEBGSA-N 0 3 324.428 3.002 20 30 DGEDHN C[C@H]([NH2+][C@H](CCN(C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378178 619768188 /nfs/dbraw/zinc/76/81/88/619768188.db2.gz PEMJDTMLDCPADN-KBXCAEBGSA-N 0 3 324.428 3.002 20 30 DGEDHN C=CCCCN(CC)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000904522788 619927018 /nfs/dbraw/zinc/92/70/18/619927018.db2.gz DFZHNLSMFGWJOH-QGZVFWFLSA-N 0 3 317.433 3.168 20 30 DGEDHN Cc1cc(C(F)(F)F)ccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083100 619968429 /nfs/dbraw/zinc/96/84/29/619968429.db2.gz BGCPAYGEOCCYSL-TZZQWBKVSA-N 0 3 307.275 3.446 20 30 DGEDHN N#CC1CCC(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000907991832 620184709 /nfs/dbraw/zinc/18/47/09/620184709.db2.gz ARNSNHWDOMNAGD-UHFFFAOYSA-N 0 3 324.428 3.351 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000912112983 620366120 /nfs/dbraw/zinc/36/61/20/620366120.db2.gz KGBMKTPVHLHAJT-MSOLQXFVSA-N 0 3 316.445 3.432 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(CCO)cc1 ZINC000912239713 620373860 /nfs/dbraw/zinc/37/38/60/620373860.db2.gz QIAXZDZNJOOYFO-KRWDZBQOSA-N 0 3 306.450 3.238 20 30 DGEDHN C#CCN(C(=O)N[C@H]1CCC[C@@H]1CCCC)C1CCN(C)CC1 ZINC000916548140 620634776 /nfs/dbraw/zinc/63/47/76/620634776.db2.gz JBKUGQVINTWWRU-WMZOPIPTSA-N 0 3 319.493 3.084 20 30 DGEDHN CCOc1ccc(O)c(/C=N\[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000920945074 620828615 /nfs/dbraw/zinc/82/86/15/620828615.db2.gz PICCXNBSWUGCPN-LZAZYHHXSA-N 0 3 324.424 3.484 20 30 DGEDHN N#CC(C(=O)C=Cc1ccccc1F)c1nnc2n1CCCCC2 ZINC000920967411 620830429 /nfs/dbraw/zinc/83/04/29/620830429.db2.gz APYDBQSFXBIDMJ-CMUBDUJZSA-N 0 3 324.359 3.033 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@@H](c1ccc(C)cc1)N(C)C ZINC000921261426 620846176 /nfs/dbraw/zinc/84/61/76/620846176.db2.gz OYXZDQZZDNINDO-BRLDDBHUSA-N 0 3 312.413 3.431 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000113330934 620904457 /nfs/dbraw/zinc/90/44/57/620904457.db2.gz SGMWPWSRVRRWQT-UHFFFAOYSA-N 0 3 312.388 3.194 20 30 DGEDHN CC[C@@H](NCc1csc(C#N)c1)[C@H](O)c1c(F)cccc1F ZINC000921803490 620951844 /nfs/dbraw/zinc/95/18/44/620951844.db2.gz FBCHZWRHMQWBTE-ZBFHGGJFSA-N 0 3 322.380 3.500 20 30 DGEDHN CC[C@@H](NCc1csc(C#N)c1)[C@@H](O)c1c(F)cccc1F ZINC000921803484 620951853 /nfs/dbraw/zinc/95/18/53/620951853.db2.gz FBCHZWRHMQWBTE-GDBMZVCRSA-N 0 3 322.380 3.500 20 30 DGEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCCSC2)c1 ZINC000921817014 620953975 /nfs/dbraw/zinc/95/39/75/620953975.db2.gz CCYVEYAZLKAWHD-GFCCVEGCSA-N 0 3 311.248 3.306 20 30 DGEDHN N#Cc1cc(CN[C@H]2CCN(c3ccccc3F)C2)cs1 ZINC000922143238 620995033 /nfs/dbraw/zinc/99/50/33/620995033.db2.gz IHYATDYBWZCEGZ-ZDUSSCGKSA-N 0 3 301.390 3.127 20 30 DGEDHN CC[C@H](CNCc1csc(C#N)c1)NC(=O)OC(C)(C)C ZINC000922158069 620997442 /nfs/dbraw/zinc/99/74/42/620997442.db2.gz ZFJMBWHOTPVCNW-GFCCVEGCSA-N 0 3 309.435 3.013 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1c(Cl)n[nH]c1C1CC1)C2 ZINC000922320938 621024062 /nfs/dbraw/zinc/02/40/62/621024062.db2.gz QSYVDFWLISGSLW-AWEZNQCLSA-N 0 3 312.804 3.069 20 30 DGEDHN Cc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1C#N ZINC000922758518 621095361 /nfs/dbraw/zinc/09/53/61/621095361.db2.gz DYYOSPLVKKIOKG-UHFFFAOYSA-N 0 3 306.413 3.152 20 30 DGEDHN C#CCN(C(=O)N[C@@H](CCC)C1CCCC1)C1CCN(C)CC1 ZINC000922859258 621110081 /nfs/dbraw/zinc/11/00/81/621110081.db2.gz LSMYIFAZUGBEHT-SFHVURJKSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCN(C(=O)N[C@H](CCC)C1CCCC1)C1CCN(C)CC1 ZINC000922859257 621110190 /nfs/dbraw/zinc/11/01/90/621110190.db2.gz LSMYIFAZUGBEHT-GOSISDBHSA-N 0 3 319.493 3.084 20 30 DGEDHN C#C[C@@H](N[C@H]1CCCOCC1)c1ccc(Br)cc1 ZINC000857707361 621115213 /nfs/dbraw/zinc/11/52/13/621115213.db2.gz LTGGOTFJVLFYEB-LSDHHAIUSA-N 0 3 308.219 3.282 20 30 DGEDHN Cc1ccc(O[C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000858040605 621147462 /nfs/dbraw/zinc/14/74/62/621147462.db2.gz OSQZQYQKAXAAQG-YJBOKZPZSA-N 0 3 307.397 3.476 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC000115902645 621158053 /nfs/dbraw/zinc/15/80/53/621158053.db2.gz XLERJKGEBHIKJD-RDJZCZTQSA-N 0 3 312.413 3.122 20 30 DGEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000116593368 621255666 /nfs/dbraw/zinc/25/56/66/621255666.db2.gz IVNMOYNWKSDEEI-RHSMWYFYSA-N 0 3 312.413 3.256 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1C(C)(C)C ZINC000838623984 621267399 /nfs/dbraw/zinc/26/73/99/621267399.db2.gz AJHZCGXCXBJAHT-UHFFFAOYSA-N 0 3 301.434 3.061 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(F)(F)F)c1 ZINC000838786293 621280433 /nfs/dbraw/zinc/28/04/33/621280433.db2.gz HGIJEERGANNUCQ-JQWIXIFHSA-N 0 3 312.291 3.231 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000838786553 621280578 /nfs/dbraw/zinc/28/05/78/621280578.db2.gz IJEACEXTKBOTLW-MFKMUULPSA-N 0 3 324.327 3.024 20 30 DGEDHN CCN(CCNC(=O)OC(C)(C)C)[C@@H](C)c1cccc(C#N)c1 ZINC000859533937 621287951 /nfs/dbraw/zinc/28/79/51/621287951.db2.gz YIUOISVGDAMQJB-AWEZNQCLSA-N 0 3 317.433 3.466 20 30 DGEDHN CCC(C)(C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000838963974 621307505 /nfs/dbraw/zinc/30/75/05/621307505.db2.gz ACPUGRPIALTUTF-LLVKDONJSA-N 0 3 314.307 3.482 20 30 DGEDHN C#Cc1cccc(CNCc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000839126887 621337645 /nfs/dbraw/zinc/33/76/45/621337645.db2.gz AOYLBHDHNBOPOI-KRWDZBQOSA-N 0 3 320.436 3.183 20 30 DGEDHN CCC#C[C@H](C)N1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860137476 621370422 /nfs/dbraw/zinc/37/04/22/621370422.db2.gz GMCZJIQTLUKSEN-KXBFYZLASA-N 0 3 301.430 3.243 20 30 DGEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000860469059 621408518 /nfs/dbraw/zinc/40/85/18/621408518.db2.gz NVLORFSFJGDOKA-KSZLIROESA-N 0 3 324.424 3.256 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860470548 621408540 /nfs/dbraw/zinc/40/85/40/621408540.db2.gz QKIBIEHXPSUYQV-IHBYNMNLSA-N 0 3 310.397 3.259 20 30 DGEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C(C)C ZINC000860780041 621442290 /nfs/dbraw/zinc/44/22/90/621442290.db2.gz QRFADSLIBIDVTK-RISCZKNCSA-N 0 3 314.307 3.338 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCOC1 ZINC000755663848 621584380 /nfs/dbraw/zinc/58/43/80/621584380.db2.gz GSSZUPJQLVKWMA-ZUZCIYMTSA-N 0 3 304.346 3.038 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCOC1 ZINC000755663847 621584517 /nfs/dbraw/zinc/58/45/17/621584517.db2.gz GSSZUPJQLVKWMA-MEBBXXQBSA-N 0 3 304.346 3.038 20 30 DGEDHN CCN1CCN(c2ccc(NCc3cccc(C#N)c3)cc2)CC1 ZINC000755682504 621585417 /nfs/dbraw/zinc/58/54/17/621585417.db2.gz PHZCPAVMHHYDAA-UHFFFAOYSA-N 0 3 320.440 3.312 20 30 DGEDHN COc1cc(CN2CCC[C@](O)(c3ccccc3)C2)ccc1C#N ZINC000862483713 621594275 /nfs/dbraw/zinc/59/42/75/621594275.db2.gz XAOCCPUAEIAMDA-HXUWFJFHSA-N 0 3 322.408 3.050 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCCO1 ZINC000756242762 621622534 /nfs/dbraw/zinc/62/25/34/621622534.db2.gz OHKTWPVSJFXLQD-QLJPJBMISA-N 0 3 319.311 3.177 20 30 DGEDHN Cc1cc(NN=C(CC2CCCCC2)c2ncccn2)ccn1 ZINC000863159572 621643813 /nfs/dbraw/zinc/64/38/13/621643813.db2.gz WQYISVCUYUORDR-UHFFFAOYSA-N 0 3 309.417 3.389 20 30 DGEDHN C=CCN1CCC([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756556389 621647697 /nfs/dbraw/zinc/64/76/97/621647697.db2.gz OKGXBKSSCASUPV-DOMZBBRYSA-N 0 3 304.409 3.320 20 30 DGEDHN C=CCN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756556399 621648589 /nfs/dbraw/zinc/64/85/89/621648589.db2.gz OKGXBKSSCASUPV-SWLSCSKDSA-N 0 3 304.409 3.320 20 30 DGEDHN CC1=CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000756637307 621654656 /nfs/dbraw/zinc/65/46/56/621654656.db2.gz QSROOTKUPIVFOG-ZDUSSCGKSA-N 0 3 311.410 3.125 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(C)CC1(C)COC1 ZINC000863299789 621661538 /nfs/dbraw/zinc/66/15/38/621661538.db2.gz USKUYVFEFYYLGK-UHFFFAOYSA-N 0 3 317.458 3.240 20 30 DGEDHN C#CCN(Cc1ccc(C(=O)OC)c(F)c1)C1CCCCC1 ZINC000756808096 621666271 /nfs/dbraw/zinc/66/62/71/621666271.db2.gz FKYLMNMLEMATTQ-UHFFFAOYSA-N 0 3 303.377 3.380 20 30 DGEDHN C[C@H](CCC#N)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839617877 621700826 /nfs/dbraw/zinc/70/08/26/621700826.db2.gz DZUIDKQYVMVWAD-PXAZEXFGSA-N 0 3 308.372 3.402 20 30 DGEDHN C[C@H](CCC#N)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839617928 621700908 /nfs/dbraw/zinc/70/09/08/621700908.db2.gz DZUIDKQYVMVWAD-SJKOYZFVSA-N 0 3 308.372 3.402 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680670 621711418 /nfs/dbraw/zinc/71/14/18/621711418.db2.gz VGOZJMOAXIXTFD-RHSMWYFYSA-N 0 3 307.438 3.154 20 30 DGEDHN Cc1ccc(CN2CC[C@H](/N=C/c3cccc(O)c3O)C2)cc1 ZINC000864347562 621759390 /nfs/dbraw/zinc/75/93/90/621759390.db2.gz UESQPXHAORXPNR-PBGVMVHZSA-N 0 3 310.397 3.100 20 30 DGEDHN CCc1csc(SCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000865387723 621908381 /nfs/dbraw/zinc/90/83/81/621908381.db2.gz FXJZCORDCHBWAL-JTQLQIEISA-N 0 3 323.468 3.439 20 30 DGEDHN CC(C)(C)c1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000760332369 621932644 /nfs/dbraw/zinc/93/26/44/621932644.db2.gz FLEPFVWYLZVURX-OAHLLOKOSA-N 0 3 309.369 3.029 20 30 DGEDHN C#CCCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000760888230 621971753 /nfs/dbraw/zinc/97/17/53/621971753.db2.gz SMKIFIJOWYTKPD-UHFFFAOYSA-N 0 3 302.421 3.397 20 30 DGEDHN COCC#CCN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000762925428 622111294 /nfs/dbraw/zinc/11/12/94/622111294.db2.gz FZHHLHIFPQYNBN-HOTGVXAUSA-N 0 3 307.459 3.066 20 30 DGEDHN C[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1nccs1 ZINC000866448157 622120478 /nfs/dbraw/zinc/12/04/78/622120478.db2.gz AJRZGMZPIXKAMS-CYBMUJFWSA-N 0 3 312.442 3.334 20 30 DGEDHN N#Cc1ccc(N2CCN(C3CCC(F)(F)CC3)CC2)cc1 ZINC000866588518 622142930 /nfs/dbraw/zinc/14/29/30/622142930.db2.gz WGISTORYBWEZHT-UHFFFAOYSA-N 0 3 305.372 3.258 20 30 DGEDHN C[C@@H](NCc1ccc2c(c1)COC2)c1ccc(OCC#N)cc1 ZINC000763431242 622145652 /nfs/dbraw/zinc/14/56/52/622145652.db2.gz PFXQKPUJIXPSIO-CQSZACIVSA-N 0 3 308.381 3.470 20 30 DGEDHN C[C@@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccc(C#N)cc1 ZINC000866641210 622152450 /nfs/dbraw/zinc/15/24/50/622152450.db2.gz OCYFODCJKNAVIP-CYBMUJFWSA-N 0 3 307.397 3.388 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121607507 622166674 /nfs/dbraw/zinc/16/66/74/622166674.db2.gz AYLKAMFMRNGDEE-CHWSQXEVSA-N 0 3 306.431 3.257 20 30 DGEDHN N#CC(C(=O)C1Cc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000763921897 622168982 /nfs/dbraw/zinc/16/89/82/622168982.db2.gz ABEMUZSNYOBULH-HNNXBMFYSA-N 0 3 301.349 3.154 20 30 DGEDHN N#CC(C(=O)CC/C=C/c1ccccc1)C(=O)NC1CCCC1 ZINC000121840678 622186344 /nfs/dbraw/zinc/18/63/44/622186344.db2.gz XXQVVDTXGIEDNL-COKXLDBZSA-N 0 3 310.397 3.248 20 30 DGEDHN Clc1ccc(-c2noc(N=NC3CCN4CCC[C@@H]34)n2)cc1 ZINC000765575703 622274555 /nfs/dbraw/zinc/27/45/55/622274555.db2.gz HSLVJVGRHHIUJQ-ZDUSSCGKSA-N 0 3 317.780 3.026 20 30 DGEDHN C#CCOc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000769022407 622493057 /nfs/dbraw/zinc/49/30/57/622493057.db2.gz LPRWLPYGWAKFKJ-NRFANRHFSA-N 0 3 321.420 3.444 20 30 DGEDHN CCC[C@]1(CO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000769912861 622575004 /nfs/dbraw/zinc/57/50/04/622575004.db2.gz IPOFWGQAYLXEEA-QGZVFWFLSA-N 0 3 322.836 3.369 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000770568824 622646662 /nfs/dbraw/zinc/64/66/62/622646662.db2.gz PEEGRIYNXGLSDB-OQGJPVFGSA-N 0 3 304.434 3.472 20 30 DGEDHN CC[C@@H](NCc1cccc(C#N)c1)C(=O)N(C)c1ccc(C)cc1 ZINC000871870831 622723634 /nfs/dbraw/zinc/72/36/34/622723634.db2.gz NPEUQIVTCJAMLO-LJQANCHMSA-N 0 3 321.424 3.398 20 30 DGEDHN CC1(C(=O)OCC2(C#N)CC2)CCN(Cc2ccccc2)CC1 ZINC000772719562 622932159 /nfs/dbraw/zinc/93/21/59/622932159.db2.gz UKPGMPGWFUFBMD-UHFFFAOYSA-N 0 3 312.413 3.136 20 30 DGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@H]4CSC[C@@H]4C3)n2)cc1 ZINC000872723074 622960994 /nfs/dbraw/zinc/96/09/94/622960994.db2.gz XOXAVFOTLRJHII-IRXDYDNUSA-N 0 3 324.453 3.064 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000773975438 623095230 /nfs/dbraw/zinc/09/52/30/623095230.db2.gz KTQHLSIDGWEMSA-SWLSCSKDSA-N 0 3 316.401 3.415 20 30 DGEDHN CCN1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000774270323 623126392 /nfs/dbraw/zinc/12/63/92/623126392.db2.gz DIVOYHCJWZBRFP-SJLPKXTDSA-N 0 3 312.461 3.323 20 30 DGEDHN C=CC[C@@H](CO)CNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000774826571 623196514 /nfs/dbraw/zinc/19/65/14/623196514.db2.gz KXDQWTRLCSTHOV-CQSZACIVSA-N 0 3 319.836 3.108 20 30 DGEDHN C#C[C@@H](C)N(C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000775184016 623239225 /nfs/dbraw/zinc/23/92/25/623239225.db2.gz SGKJDUNLFYZKOL-GFCCVEGCSA-N 0 3 307.319 3.345 20 30 DGEDHN Cc1nc2ccccn2c1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000775336676 623255629 /nfs/dbraw/zinc/25/56/29/623255629.db2.gz QGOJCXDPLCYQPP-AWEZNQCLSA-N 0 3 320.396 3.396 20 30 DGEDHN Cc1nc2ccccn2c1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000775336777 623255661 /nfs/dbraw/zinc/25/56/61/623255661.db2.gz QGOJCXDPLCYQPP-CQSZACIVSA-N 0 3 320.396 3.396 20 30 DGEDHN CC[C@](C)(NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000775390188 623265416 /nfs/dbraw/zinc/26/54/16/623265416.db2.gz JLVQQXOBQFGLES-FQEVSTJZSA-N 0 3 321.424 3.089 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)COc1ccccc1C)c1ccccc1 ZINC000775399803 623268381 /nfs/dbraw/zinc/26/83/81/623268381.db2.gz UOQBZJCAWPMYEG-RTBURBONSA-N 0 3 309.409 3.089 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)COc1ccccc1C)c1ccccc1 ZINC000775399802 623269065 /nfs/dbraw/zinc/26/90/65/623269065.db2.gz UOQBZJCAWPMYEG-RBUKOAKNSA-N 0 3 309.409 3.089 20 30 DGEDHN CCCCN(CCCO)Cc1cc(Cl)ccc1OCC#N ZINC000775560143 623289507 /nfs/dbraw/zinc/28/95/07/623289507.db2.gz BFWBNLYGOXNAHR-UHFFFAOYSA-N 0 3 310.825 3.227 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000874903447 623388616 /nfs/dbraw/zinc/38/86/16/623388616.db2.gz JQSPWVGSLIYWOP-KRWDZBQOSA-N 0 3 321.371 3.157 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC2(CC)CC)CC1 ZINC000875248074 623430840 /nfs/dbraw/zinc/43/08/40/623430840.db2.gz PVYRHXXMLUZCBD-UHFFFAOYSA-N 0 3 307.482 3.391 20 30 DGEDHN N#Cc1ccc(OC(=O)[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000875466458 623453521 /nfs/dbraw/zinc/45/35/21/623453521.db2.gz NBHLTMSLZCTHOH-MRXNPFEDSA-N 0 3 324.355 3.125 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCCn1ccnc1 ZINC000778160694 623617980 /nfs/dbraw/zinc/61/79/80/623617980.db2.gz XXGAGSPXFBPBEF-UHFFFAOYSA-N 0 3 317.820 3.119 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC1C[C@@H](C)O[C@H](C)C1 ZINC000778178847 623621190 /nfs/dbraw/zinc/62/11/90/623621190.db2.gz NPGRHNZRCPPBBH-CHWSQXEVSA-N 0 3 307.821 3.398 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC1CCC(C)(O)CC1 ZINC000778177250 623621400 /nfs/dbraw/zinc/62/14/00/623621400.db2.gz SDILUMMPEPIVFI-UHFFFAOYSA-N 0 3 307.821 3.135 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000876585331 623651339 /nfs/dbraw/zinc/65/13/39/623651339.db2.gz IBPZJQWSXMSMBQ-AWEZNQCLSA-N 0 3 313.228 3.301 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000876620682 623661978 /nfs/dbraw/zinc/66/19/78/623661978.db2.gz OXBAUDIEEJATDP-JYJNAYRXSA-N 0 3 306.837 3.299 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000876622168 623662213 /nfs/dbraw/zinc/66/22/13/623662213.db2.gz CIKUXBUMTZCPLM-GFCCVEGCSA-N 0 3 321.635 3.122 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000876628153 623663978 /nfs/dbraw/zinc/66/39/78/623663978.db2.gz GTCDKAXLGMTTLM-CABCVRRESA-N 0 3 306.837 3.385 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000876645736 623669343 /nfs/dbraw/zinc/66/93/43/623669343.db2.gz QPZIGKRQOZZIJH-HOTGVXAUSA-N 0 3 306.837 3.253 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC000876646747 623669484 /nfs/dbraw/zinc/66/94/84/623669484.db2.gz YOTBNSNWIFRXHO-RISCZKNCSA-N 0 3 312.866 3.446 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1OC ZINC000876647883 623669593 /nfs/dbraw/zinc/66/95/93/623669593.db2.gz KJPSNSMHUJETSZ-HUUCEWRRSA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000876671972 623677219 /nfs/dbraw/zinc/67/72/19/623677219.db2.gz JGPQADKBCWZHNP-GFCCVEGCSA-N 0 3 310.829 3.256 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CC(F)(F)F ZINC000876678950 623679427 /nfs/dbraw/zinc/67/94/27/623679427.db2.gz UAXWZCJMRNTXGJ-JTQLQIEISA-N 0 3 306.715 3.200 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000876686888 623682356 /nfs/dbraw/zinc/68/23/56/623682356.db2.gz JSOHNXBBXKENDP-NZVBXONLSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2[nH]c(CCCC)nc2c1 ZINC000876727882 623690836 /nfs/dbraw/zinc/69/08/36/623690836.db2.gz USGABVQHSRQGBJ-LBPRGKRZSA-N 0 3 320.824 3.314 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000876741734 623694581 /nfs/dbraw/zinc/69/45/81/623694581.db2.gz YJAWYUGJERVLAF-AWEZNQCLSA-N 0 3 305.809 3.460 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000876883609 623734934 /nfs/dbraw/zinc/73/49/34/623734934.db2.gz KUBQDABESIILCH-QEJZJMRPSA-N 0 3 310.800 3.048 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000876907619 623742070 /nfs/dbraw/zinc/74/20/70/623742070.db2.gz UMUIONGBNDYXCR-GDBMZVCRSA-N 0 3 320.864 3.473 20 30 DGEDHN CC(C)(C)[C@H](Cn1ccnc1)NCc1cc(C#N)cnc1Cl ZINC000876957150 623753756 /nfs/dbraw/zinc/75/37/56/623753756.db2.gz VKMMVJAUBZWWGE-AWEZNQCLSA-N 0 3 317.824 3.008 20 30 DGEDHN C[C@@H](Cc1ccc(O)cc1)NCc1cc(C#N)cnc1Cl ZINC000877019641 623767387 /nfs/dbraw/zinc/76/73/87/623767387.db2.gz OOQZNAKHHSSSNG-NSHDSACASA-N 0 3 301.777 3.033 20 30 DGEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C12CCCC2 ZINC000877070360 623783552 /nfs/dbraw/zinc/78/35/52/623783552.db2.gz NRTOCILYKYIQHK-GJZGRUSLSA-N 0 3 319.836 3.434 20 30 DGEDHN CC(C)[C@@H]1OCCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877074140 623784087 /nfs/dbraw/zinc/78/40/87/623784087.db2.gz ZWYTZAFZYHWBRU-ZFWWWQNUSA-N 0 3 307.825 3.147 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000779751910 623796777 /nfs/dbraw/zinc/79/67/77/623796777.db2.gz AWKHJYVQNZRGDQ-UHFFFAOYSA-N 0 3 300.446 3.161 20 30 DGEDHN C#CCCCCCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000779836796 623818960 /nfs/dbraw/zinc/81/89/60/623818960.db2.gz IBEPXIGSJQJJMK-UHFFFAOYSA-N 0 3 322.518 3.048 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000779934765 623836809 /nfs/dbraw/zinc/83/68/09/623836809.db2.gz DRMQBCJBDTWADE-UHFFFAOYSA-N 0 3 318.436 3.300 20 30 DGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000780384329 623919844 /nfs/dbraw/zinc/91/98/44/623919844.db2.gz HBFFNVJSHVWBIE-KCPJHIHWSA-N 0 3 312.335 3.254 20 30 DGEDHN CN(Cc1cc2ccccc2n1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000877610360 623961417 /nfs/dbraw/zinc/96/14/17/623961417.db2.gz TUDSZHBVRAWEDQ-HXUWFJFHSA-N 0 3 319.408 3.215 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000877617901 623964158 /nfs/dbraw/zinc/96/41/58/623964158.db2.gz ZALWFMYBHHIHOR-LSDHHAIUSA-N 0 3 305.809 3.044 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCC[C@@H](CC#N)C1 ZINC000877622373 623966316 /nfs/dbraw/zinc/96/63/16/623966316.db2.gz MBNPALRTAZGVRB-LSDHHAIUSA-N 0 3 307.438 3.012 20 30 DGEDHN Cc1ccc(C(C)(C)CNCc2cc(C#N)cnc2Cl)nc1 ZINC000877654533 623979596 /nfs/dbraw/zinc/97/95/96/623979596.db2.gz ZNZLCAHYJXUITI-UHFFFAOYSA-N 0 3 314.820 3.378 20 30 DGEDHN N#Cc1ccccc1N1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000877683015 623990184 /nfs/dbraw/zinc/99/01/84/623990184.db2.gz XAONPFROOUOKNZ-UHFFFAOYSA-N 0 3 322.412 3.182 20 30 DGEDHN COC(=O)/C=C/c1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000877703873 623998455 /nfs/dbraw/zinc/99/84/55/623998455.db2.gz AZXWFKKACAMBIA-CMDGGOBGSA-N 0 3 324.380 3.012 20 30 DGEDHN Cc1cccn2c(CN(C)CCc3cccc(C#N)c3)cnc12 ZINC000877704199 623998867 /nfs/dbraw/zinc/99/88/67/623998867.db2.gz KKTJFXCOWXLSDG-UHFFFAOYSA-N 0 3 304.397 3.189 20 30 DGEDHN C[C@@H](NCCN1CCc2ccccc21)c1ccc(C#N)cc1F ZINC000781419636 624069274 /nfs/dbraw/zinc/06/92/74/624069274.db2.gz BDXUTWFZPJAWTC-CQSZACIVSA-N 0 3 309.388 3.411 20 30 DGEDHN C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000781422407 624069329 /nfs/dbraw/zinc/06/93/29/624069329.db2.gz OUBBDQCZSDTMJH-DZGCQCFKSA-N 0 3 318.392 3.424 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCCOC1 ZINC000781455509 624072967 /nfs/dbraw/zinc/07/29/67/624072967.db2.gz DYRMYRPKOFMLBS-BDJLRTHQSA-N 0 3 318.373 3.428 20 30 DGEDHN COc1cccc2c1CCN(CCCOc1ccc(C#N)cc1)C2 ZINC000782526378 624260455 /nfs/dbraw/zinc/26/04/55/624260455.db2.gz HGIUKKRVAJHNCL-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN C#CCCCCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000878461437 624284028 /nfs/dbraw/zinc/28/40/28/624284028.db2.gz IZAZDHHLWLWNRV-UHFFFAOYSA-N 0 3 307.384 3.442 20 30 DGEDHN C=CCS(=O)(=O)CCNCc1ccccc1-c1ccccc1 ZINC000782968338 624297402 /nfs/dbraw/zinc/29/74/02/624297402.db2.gz KAIPYGBHMBHPRR-UHFFFAOYSA-N 0 3 315.438 3.044 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)o1 ZINC000878766527 624356237 /nfs/dbraw/zinc/35/62/37/624356237.db2.gz ZIJVAHVTWFLTTR-MOPGFXCFSA-N 0 3 310.397 3.109 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)cc1F ZINC000879246801 624461989 /nfs/dbraw/zinc/46/19/89/624461989.db2.gz XWMAMOCBHOBICV-RTBURBONSA-N 0 3 310.372 3.395 20 30 DGEDHN CCOC(=O)[C@H]1CN(CCCCC(C)(C)C#N)CCC1(F)F ZINC000879368905 624519359 /nfs/dbraw/zinc/51/93/59/624519359.db2.gz XKXKAGNJZMLTNK-CYBMUJFWSA-N 0 3 316.392 3.227 20 30 DGEDHN CC(C)OCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000784831804 624585438 /nfs/dbraw/zinc/58/54/38/624585438.db2.gz RFXRYTRCDFDWSI-GFCCVEGCSA-N 0 3 322.792 3.193 20 30 DGEDHN Cc1cncc([C@@H]2CCCN2CCOc2cccc(C#N)c2)c1 ZINC000879747169 624662116 /nfs/dbraw/zinc/66/21/16/624662116.db2.gz JIMFYXBMTQAQRO-IBGZPJMESA-N 0 3 307.397 3.478 20 30 DGEDHN C=CCCCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785711254 624716648 /nfs/dbraw/zinc/71/66/48/624716648.db2.gz WLLLODLXEOALBQ-UHFFFAOYSA-N 0 3 317.429 3.014 20 30 DGEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880064010 624771972 /nfs/dbraw/zinc/77/19/72/624771972.db2.gz IXEBZIVUPOLHFN-WFASDCNBSA-N 0 3 312.335 3.142 20 30 DGEDHN COc1ccccc1[C@H]1CSCCCN1CCOCCC#N ZINC000880175940 624820558 /nfs/dbraw/zinc/82/05/58/624820558.db2.gz IMEIPSCQOVJXNF-MRXNPFEDSA-N 0 3 320.458 3.105 20 30 DGEDHN C=CCOCCN1CCCSC[C@H]1c1ccccc1OC ZINC000880175785 624820627 /nfs/dbraw/zinc/82/06/27/624820627.db2.gz FMXWQOQYPQOAMD-INIZCTEOSA-N 0 3 307.459 3.378 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000880478966 624965507 /nfs/dbraw/zinc/96/55/07/624965507.db2.gz ISYJCENCBXETTG-UHFFFAOYSA-N 0 3 311.397 3.352 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000787065312 624974928 /nfs/dbraw/zinc/97/49/28/624974928.db2.gz GGEHRQIAVUYACT-HOTGVXAUSA-N 0 3 312.413 3.180 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787072532 624975842 /nfs/dbraw/zinc/97/58/42/624975842.db2.gz QLMNCOZXKNMVPH-SJORKVTESA-N 0 3 314.429 3.426 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787072200 624976045 /nfs/dbraw/zinc/97/60/45/624976045.db2.gz FQNKLAWFPOHWFO-NVXWUHKLSA-N 0 3 314.429 3.426 20 30 DGEDHN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787075521 624976484 /nfs/dbraw/zinc/97/64/84/624976484.db2.gz ZJLMLFHLLDRFTR-PVAVHDDUSA-N 0 3 312.413 3.180 20 30 DGEDHN C/C(C=NNCCN1CCCCC1)=C/c1cccc([N+](=O)[O-])c1 ZINC000787154593 624983795 /nfs/dbraw/zinc/98/37/95/624983795.db2.gz WZCZRDKEXGYNLU-WYBVBBPOSA-N 0 3 316.405 3.059 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000880673799 624998063 /nfs/dbraw/zinc/99/80/63/624998063.db2.gz DRPILZXOLGMRJE-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1COCc2cccc(Cl)c21 ZINC000788801168 625270352 /nfs/dbraw/zinc/27/03/52/625270352.db2.gz LAAMOUSOKCQJLM-VMGRFDJRSA-N 0 3 307.821 3.482 20 30 DGEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000796631729 626068013 /nfs/dbraw/zinc/06/80/13/626068013.db2.gz INGWOPDDMDVOOF-JTQLQIEISA-N 0 3 300.692 3.033 20 30 DGEDHN CC[C@@](C)(OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000796648649 626070095 /nfs/dbraw/zinc/07/00/95/626070095.db2.gz DOHLAVOAJUGFLC-QLJPJBMISA-N 0 3 321.327 3.423 20 30 DGEDHN N#CC(C(=O)Cc1coc2ccccc12)C(=O)NC1CCCCC1 ZINC000796788255 626083403 /nfs/dbraw/zinc/08/34/03/626083403.db2.gz IVACNMCIZZEZJB-INIZCTEOSA-N 0 3 324.380 3.133 20 30 DGEDHN CC(C)Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000796792888 626083670 /nfs/dbraw/zinc/08/36/70/626083670.db2.gz MFHAXZFJWKCVCY-PBHICJAKSA-N 0 3 314.429 3.222 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC(F)F)cc1 ZINC000796793809 626083830 /nfs/dbraw/zinc/08/38/30/626083830.db2.gz VAZRFVWEUYWMSU-GXFFZTMASA-N 0 3 324.327 3.087 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000796815621 626086144 /nfs/dbraw/zinc/08/61/44/626086144.db2.gz FNZMYXAPVRIHMZ-RHSMWYFYSA-N 0 3 310.401 3.258 20 30 DGEDHN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)[C@H]1c1ccccc1 ZINC000797549231 626152004 /nfs/dbraw/zinc/15/20/04/626152004.db2.gz XHZBLDPJSKDEQQ-RUGDWHBFSA-N 0 3 318.376 3.384 20 30 DGEDHN C=CCCC[C@H](C)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799175163 626277293 /nfs/dbraw/zinc/27/72/93/626277293.db2.gz YEZZHVYZTYSWRV-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C)c(C#N)c1 ZINC000799308019 626287836 /nfs/dbraw/zinc/28/78/36/626287836.db2.gz SFHWZUWOBDIRBV-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1C#N ZINC000799342963 626293230 /nfs/dbraw/zinc/29/32/30/626293230.db2.gz VSJWGWXPUFBJKZ-CQSZACIVSA-N 0 3 309.413 3.484 20 30 DGEDHN C=CCCOCC(=O)OC[C@H]1CCCCN1Cc1ccccc1 ZINC000799631758 626314982 /nfs/dbraw/zinc/31/49/82/626314982.db2.gz CLSQKVIJLAMNTH-GOSISDBHSA-N 0 3 317.429 3.177 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800385546 626355210 /nfs/dbraw/zinc/35/52/10/626355210.db2.gz ZMIOLNLNUXETKI-WCQYABFASA-N 0 3 306.312 3.159 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103640238 626395028 /nfs/dbraw/zinc/39/50/28/626395028.db2.gz VFFURERZEJGNIF-YOEHRIQHSA-N 0 3 312.413 3.338 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103640681 626395068 /nfs/dbraw/zinc/39/50/68/626395068.db2.gz ZRYYEISWKYCURD-HOCLYGCPSA-N 0 3 321.380 3.313 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103640241 626395091 /nfs/dbraw/zinc/39/50/91/626395091.db2.gz VFFURERZEJGNIF-PBHICJAKSA-N 0 3 312.413 3.338 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000801929847 626426292 /nfs/dbraw/zinc/42/62/92/626426292.db2.gz WFQIYHCKCJTAQW-KBPBESRZSA-N 0 3 315.442 3.404 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000801929633 626426304 /nfs/dbraw/zinc/42/63/04/626426304.db2.gz RBRSEVOUCIKDHK-UONOGXRCSA-N 0 3 319.474 3.130 20 30 DGEDHN Cc1[nH]c2ccccc2c1C1=CCN(CCO[C@H](C)C#N)CC1 ZINC000801932968 626426437 /nfs/dbraw/zinc/42/64/37/626426437.db2.gz CWSYARIKKXZJPO-CQSZACIVSA-N 0 3 309.413 3.494 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000801936277 626426874 /nfs/dbraw/zinc/42/68/74/626426874.db2.gz MGUQUVZGGRPGPM-CABCVRRESA-N 0 3 322.836 3.359 20 30 DGEDHN C=CCCC[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000883203847 626607357 /nfs/dbraw/zinc/60/73/57/626607357.db2.gz MREFVUSJRNAWFH-DLBZAZTESA-N 0 3 307.459 3.251 20 30 DGEDHN C=CCCC[C@H](N[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000883203849 626607579 /nfs/dbraw/zinc/60/75/79/626607579.db2.gz MREFVUSJRNAWFH-IRXDYDNUSA-N 0 3 307.459 3.251 20 30 DGEDHN C=CCCC[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000883203850 626607685 /nfs/dbraw/zinc/60/76/85/626607685.db2.gz MREFVUSJRNAWFH-SJORKVTESA-N 0 3 307.459 3.251 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000883389250 626669960 /nfs/dbraw/zinc/66/99/60/626669960.db2.gz MVWYTHUFQLOAJS-VXGBXAGGSA-N 0 3 313.825 3.335 20 30 DGEDHN N#Cc1sc(N2CCN(CC3CCCCC3)CC2)nc1Cl ZINC000804387936 626675589 /nfs/dbraw/zinc/67/55/89/626675589.db2.gz LSWWFALVJPECFP-UHFFFAOYSA-N 0 3 324.881 3.370 20 30 DGEDHN C#C[C@H](NC(=O)[C@H]1CCCN1CCC)c1ccc(Cl)cc1F ZINC000804421457 626678593 /nfs/dbraw/zinc/67/85/93/626678593.db2.gz XTVFEMXCIDDXTG-JKSUJKDBSA-N 0 3 322.811 3.144 20 30 DGEDHN CC(=NNCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000808006382 626785998 /nfs/dbraw/zinc/78/59/98/626785998.db2.gz SBBFJOWQOSLGJF-UHFFFAOYSA-N 0 3 301.434 3.027 20 30 DGEDHN CC(C)CC[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)(C)C ZINC000884138736 626840450 /nfs/dbraw/zinc/84/04/50/626840450.db2.gz XDAGMZSVTAZWMD-IOSXPMGOSA-N 0 3 319.493 3.093 20 30 DGEDHN C#Cc1ccc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000809546996 626918559 /nfs/dbraw/zinc/91/85/59/626918559.db2.gz GWBIXACAGJNPBD-UHFFFAOYSA-N 0 3 318.420 3.192 20 30 DGEDHN C#Cc1ccc(CNc2ccccc2N2CCN(CC)CC2)cc1 ZINC000809596973 626924233 /nfs/dbraw/zinc/92/42/33/626924233.db2.gz GFDFAHYJRCAVAC-UHFFFAOYSA-N 0 3 319.452 3.422 20 30 DGEDHN C#Cc1ccc(CNC(C)(C)C(=O)NCC2CCCCC2)cc1 ZINC000809628462 626929191 /nfs/dbraw/zinc/92/91/91/626929191.db2.gz JJMGZPAZLQVUCG-UHFFFAOYSA-N 0 3 312.457 3.233 20 30 DGEDHN C#C[C@@H](C)NCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000809683726 626935366 /nfs/dbraw/zinc/93/53/66/626935366.db2.gz MBTZTEKHQZDBSZ-MRXNPFEDSA-N 0 3 319.408 3.333 20 30 DGEDHN C#C[C@@H](CC)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000809686525 626935821 /nfs/dbraw/zinc/93/58/21/626935821.db2.gz XMTZAVFEBQNJQX-KRWDZBQOSA-N 0 3 322.408 3.449 20 30 DGEDHN C#C[C@@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C ZINC000809684813 626935849 /nfs/dbraw/zinc/93/58/49/626935849.db2.gz OSONIWCHZMMISK-CQSZACIVSA-N 0 3 303.406 3.176 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000809750223 626946904 /nfs/dbraw/zinc/94/69/04/626946904.db2.gz RCVMYVPJLLEIHE-BPUTZDHNSA-N 0 3 301.386 3.152 20 30 DGEDHN COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1C#N ZINC000810251423 626992305 /nfs/dbraw/zinc/99/23/05/626992305.db2.gz RZMXDYSTIHCNLE-NSHDSACASA-N 0 3 300.333 3.262 20 30 DGEDHN CC(C)N(Cc1ccccc1F)C[C@H](O)CC1(C#N)CCC1 ZINC000885969448 627073749 /nfs/dbraw/zinc/07/37/49/627073749.db2.gz SKZFQQNYUKBBDE-MRXNPFEDSA-N 0 3 304.409 3.481 20 30 DGEDHN CC[C@](C)(NC[C@@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886072805 627098633 /nfs/dbraw/zinc/09/86/33/627098633.db2.gz MZGHNGFWYQDHLO-ZFWWWQNUSA-N 0 3 307.463 3.111 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCC(CC(F)(F)F)CC2)CCC1 ZINC000886194743 627119978 /nfs/dbraw/zinc/11/99/78/627119978.db2.gz YGLIWDDVAMOMRW-CYBMUJFWSA-N 0 3 304.356 3.096 20 30 DGEDHN N#Cc1ccc(N2CCC(NCc3cc(C4CC4)no3)CC2)cc1 ZINC000886269100 627128233 /nfs/dbraw/zinc/12/82/33/627128233.db2.gz LWOWHIGMQZFOAN-UHFFFAOYSA-N 0 3 322.412 3.182 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1 ZINC000886361327 627143185 /nfs/dbraw/zinc/14/31/85/627143185.db2.gz BNCKBNMIBSZDBA-HZPDHXFCSA-N 0 3 324.424 3.297 20 30 DGEDHN C#CCN(C(=O)c1ccc(CCCC)cc1)C1CCN(C)CC1 ZINC000886587506 627168394 /nfs/dbraw/zinc/16/83/94/627168394.db2.gz ZLUVSETZWDVWBN-UHFFFAOYSA-N 0 3 312.457 3.199 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OCC)c(OCC)c2)CC1 ZINC000886758054 627200005 /nfs/dbraw/zinc/20/00/05/627200005.db2.gz ZCXIMWCYJUDLTI-UHFFFAOYSA-N 0 3 319.445 3.387 20 30 DGEDHN CC(C)(NC[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000886901099 627212966 /nfs/dbraw/zinc/21/29/66/627212966.db2.gz PRFLPTHMBFJUTL-KRWDZBQOSA-N 0 3 316.351 3.395 20 30 DGEDHN C#C[C@H](NC1CCN(C(=O)CC)CC1)c1ccc(Cl)cc1 ZINC000811516555 627286339 /nfs/dbraw/zinc/28/63/39/627286339.db2.gz PIYTYQCETSQECA-INIZCTEOSA-N 0 3 304.821 3.005 20 30 DGEDHN C[C@@H](COc1ccccc1)NN=Cc1ccc2c(c1)CCN2C ZINC000811667543 627304235 /nfs/dbraw/zinc/30/42/35/627304235.db2.gz XTENZIIMKMFCGU-HNNXBMFYSA-N 0 3 309.413 3.070 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C[C@H]2CCC[C@@H](C)C2)OC)CC1 ZINC000812032548 627348666 /nfs/dbraw/zinc/34/86/66/627348666.db2.gz NINJHNDKRFWWLG-CVEARBPZSA-N 0 3 323.481 3.036 20 30 DGEDHN CC(C)OCCON=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000812240523 627364029 /nfs/dbraw/zinc/36/40/29/627364029.db2.gz TZMHOBSHQOOGLD-UHFFFAOYSA-N 0 3 322.424 3.262 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000812353173 627373748 /nfs/dbraw/zinc/37/37/48/627373748.db2.gz HYQMAHIARVOOBQ-PBHICJAKSA-N 0 3 318.848 3.395 20 30 DGEDHN C#C[C@H](NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)C(C)(C)C ZINC000812350598 627373905 /nfs/dbraw/zinc/37/39/05/627373905.db2.gz SRFPNSWFDQBUFX-DZKIICNBSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCCCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000812495576 627392635 /nfs/dbraw/zinc/39/26/35/627392635.db2.gz RQTWVXDLPGBUFR-QGZVFWFLSA-N 0 3 307.482 3.391 20 30 DGEDHN C=CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000812865641 627431169 /nfs/dbraw/zinc/43/11/69/627431169.db2.gz QSKJXTSRCOWICN-GOSISDBHSA-N 0 3 304.409 3.418 20 30 DGEDHN N#CCCCC(=O)OC[C@@H]1CCCCN1Cc1ccccc1 ZINC000813096289 627448754 /nfs/dbraw/zinc/44/87/54/627448754.db2.gz HXQVRCFXDKNWEX-KRWDZBQOSA-N 0 3 300.402 3.278 20 30 DGEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215323 627468076 /nfs/dbraw/zinc/46/80/76/627468076.db2.gz WSGHOKVUIMOEFT-SKDRFNHKSA-N 0 3 312.291 3.092 20 30 DGEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000814660751 627582135 /nfs/dbraw/zinc/58/21/35/627582135.db2.gz ZTOZUSFSOAOQHC-GOSISDBHSA-N 0 3 323.396 3.355 20 30 DGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657255 627582242 /nfs/dbraw/zinc/58/22/42/627582242.db2.gz NOZKVSPAKBIIDE-LSDHHAIUSA-N 0 3 300.402 3.486 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCC1(OC)CCC1 ZINC000815148300 627637342 /nfs/dbraw/zinc/63/73/42/627637342.db2.gz RBPWMIFGBCBSFB-UHFFFAOYSA-N 0 3 307.821 3.401 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000924774013 627678777 /nfs/dbraw/zinc/67/87/77/627678777.db2.gz QBJZXKYXIPLDQX-ZBFHGGJFSA-N 0 3 301.434 3.124 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815907574 627711374 /nfs/dbraw/zinc/71/13/74/627711374.db2.gz DVXMPNXVCFIMKC-MRXNPFEDSA-N 0 3 323.396 3.370 20 30 DGEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)C1(Br)CC1 ZINC000925925541 627818683 /nfs/dbraw/zinc/81/86/83/627818683.db2.gz CAEZJOIVIUTNGJ-NSHDSACASA-N 0 3 305.219 3.453 20 30 DGEDHN Cc1ccc(CN[C@H](C)CC(C)(C)C#N)c(N2CCCC2)n1 ZINC000926120478 627847579 /nfs/dbraw/zinc/84/75/79/627847579.db2.gz FUCORVUUHZRPQQ-OAHLLOKOSA-N 0 3 300.450 3.408 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000926239551 627868459 /nfs/dbraw/zinc/86/84/59/627868459.db2.gz JMYDNIOCRZQKNY-GOEBONIOSA-N 0 3 305.466 3.228 20 30 DGEDHN CC(C)(C)OC(=O)CCNN=C1CCCCc2ccc(N)cc21 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30 DGEDHN C#CCN(C)CCCNC(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000818592818 628039935 /nfs/dbraw/zinc/03/99/35/628039935.db2.gz AMDUMZWYEPHKEI-DLBZAZTESA-N 0 3 312.457 3.047 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000818606575 628041615 /nfs/dbraw/zinc/04/16/15/628041615.db2.gz XMPLRFNXFGHTOU-UHFFFAOYSA-N 0 3 319.408 3.006 20 30 DGEDHN N#Cc1ccc([C@H](O)CNCc2ccc(C3CC3)cc2F)cc1 ZINC000819327005 628133916 /nfs/dbraw/zinc/13/39/16/628133916.db2.gz YUOYSJRENSZMQA-LJQANCHMSA-N 0 3 310.372 3.398 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000820766570 628296454 /nfs/dbraw/zinc/29/64/54/628296454.db2.gz MYBUPJQFVIFIJL-HYVNUMGLSA-N 0 3 312.413 3.180 20 30 DGEDHN N#Cc1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1 ZINC000823667080 628585329 /nfs/dbraw/zinc/58/53/29/628585329.db2.gz YFMKPHVSGKFVBQ-UHFFFAOYSA-N 0 3 308.381 3.399 20 30 DGEDHN C[C@H]1C[C@@H](CNCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000824153477 628631936 /nfs/dbraw/zinc/63/19/36/628631936.db2.gz MPDVQVPQXODPGO-KBPBESRZSA-N 0 3 309.454 3.161 20 30 DGEDHN N#Cc1ccccc1CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030371 628718373 /nfs/dbraw/zinc/71/83/73/628718373.db2.gz LCQJIMFTYUMCCZ-QAPCUYQASA-N 0 3 312.413 3.066 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000825046138 628720816 /nfs/dbraw/zinc/72/08/16/628720816.db2.gz GBUAHZZPTJXXOM-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C#C[C@@H](NCc1cn(-c2cccc(C)c2)nc1C)C1CCOCC1 ZINC000827554742 628970128 /nfs/dbraw/zinc/97/01/28/628970128.db2.gz JNUJPULTIPLPFY-HXUWFJFHSA-N 0 3 323.440 3.007 20 30 DGEDHN C#C[C@@H](NCc1csc(Br)c1)C1CCOCC1 ZINC000827569729 628971958 /nfs/dbraw/zinc/97/19/58/628971958.db2.gz DXCKAYWRWOKEBC-GFCCVEGCSA-N 0 3 314.248 3.029 20 30 DGEDHN C#C[C@H](NCc1ccc(OCC)c(OCC)c1)C1CCOCC1 ZINC000827570881 628971997 /nfs/dbraw/zinc/97/19/97/628971997.db2.gz TVTGWZUQSIUEOO-KRWDZBQOSA-N 0 3 317.429 3.002 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000829773648 629189943 /nfs/dbraw/zinc/18/99/43/629189943.db2.gz HSACWIQQXPUYRL-RCCFBDPRSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000829774203 629190966 /nfs/dbraw/zinc/19/09/66/629190966.db2.gz NENGARJKHBQBIC-HOTGVXAUSA-N 0 3 316.420 3.080 20 30 DGEDHN C=C(Br)CNC1(Cc2ccccc2)CCOCC1 ZINC000832437797 629480451 /nfs/dbraw/zinc/48/04/51/629480451.db2.gz QTXALNNWKPGMSC-UHFFFAOYSA-N 0 3 310.235 3.277 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)NC(COC)COC)cc1 ZINC000834889852 629798697 /nfs/dbraw/zinc/79/86/97/629798697.db2.gz GOLJDDLCICGANT-CYBMUJFWSA-N 0 3 313.825 3.130 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000834888327 629798807 /nfs/dbraw/zinc/79/88/07/629798807.db2.gz GGSLNBPYTHFIDJ-LJQANCHMSA-N 0 3 310.372 3.474 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)C)c1 ZINC000835061073 629840859 /nfs/dbraw/zinc/84/08/59/629840859.db2.gz ILZLCBTZRHNAKA-OAHLLOKOSA-N 0 3 302.374 3.169 20 30 DGEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063740 629841315 /nfs/dbraw/zinc/84/13/15/629841315.db2.gz QDMBTDWQIUKQSO-CMPLNLGQSA-N 0 3 312.291 3.313 20 30 DGEDHN CC(C)CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835338826 629909836 /nfs/dbraw/zinc/90/98/36/629909836.db2.gz CGRUKMLYDOXZNG-ZDUSSCGKSA-N 0 3 322.355 3.116 20 30 DGEDHN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835342218 629910701 /nfs/dbraw/zinc/91/07/01/629910701.db2.gz ZRIKNFIKNKAYCD-ZACQAIPSSA-N 0 3 312.413 3.180 20 30 DGEDHN c1ccc([C@@H]2CC(=NOC[C@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841636480 630450606 /nfs/dbraw/zinc/45/06/06/630450606.db2.gz BUHWKCWGNGAGET-KXBFYZLASA-N 0 3 314.429 3.395 20 30 DGEDHN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842289613 630511291 /nfs/dbraw/zinc/51/12/91/630511291.db2.gz FLEPSEMZNUBYDK-BXUZGUMPSA-N 0 3 322.792 3.048 20 30 DGEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842289614 630511350 /nfs/dbraw/zinc/51/13/50/630511350.db2.gz FLEPSEMZNUBYDK-FZMZJTMJSA-N 0 3 322.792 3.048 20 30 DGEDHN N#CC(C(=O)Cc1cccc(C2CC2)c1)C(=O)NC1CCCCC1 ZINC000842290430 630512053 /nfs/dbraw/zinc/51/20/53/630512053.db2.gz YGEPCLYUQNRMSX-GOSISDBHSA-N 0 3 324.424 3.264 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000105486275 630718151 /nfs/dbraw/zinc/71/81/51/630718151.db2.gz JWKFHTYHYUAGLF-UGSOOPFHSA-N 0 3 308.381 3.460 20 30 DGEDHN Cc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c(C)s1 ZINC000844368352 630721712 /nfs/dbraw/zinc/72/17/12/630721712.db2.gz DQXLVVGYCLWMRU-QGZVFWFLSA-N 0 3 300.427 3.402 20 30 DGEDHN C#CCCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873365 631200195 /nfs/dbraw/zinc/20/01/95/631200195.db2.gz CXFIDCFYDHJDKJ-LRDDRELGSA-N 0 3 307.321 3.269 20 30 DGEDHN CC[C@@H]1COC(C)(C)CN1Cc1ccc(N(C)CCC#N)cc1 ZINC000846026719 631206839 /nfs/dbraw/zinc/20/68/39/631206839.db2.gz GNWYFDIGPUKECM-QGZVFWFLSA-N 0 3 315.461 3.426 20 30 DGEDHN C#CC[C@@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1ccccc1 ZINC000846845189 631326376 /nfs/dbraw/zinc/32/63/76/631326376.db2.gz UYJGFYKRNQXUTE-NHCUHLMSSA-N 0 3 320.436 3.246 20 30 DGEDHN CN(C)c1ccc(C2CCN(Cc3ccc(C#N)cn3)CC2)cc1 ZINC000846861740 631331960 /nfs/dbraw/zinc/33/19/60/631331960.db2.gz MOGSIUGIYYLNDR-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN C#C[C@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000847026374 631385090 /nfs/dbraw/zinc/38/50/90/631385090.db2.gz YHGUQLBHZUHRRC-KRWDZBQOSA-N 0 3 310.441 3.158 20 30 DGEDHN N#Cc1ccc(C2(NCc3ccc4nonc4c3)CCC2)cc1 ZINC000847057290 631393193 /nfs/dbraw/zinc/39/31/93/631393193.db2.gz INQYPEZRUWZWGZ-UHFFFAOYSA-N 0 3 304.353 3.263 20 30 DGEDHN c1cc2c(ncnc2N=NC2CCCN3CCCC[C@H]23)s1 ZINC000848401651 631654673 /nfs/dbraw/zinc/65/46/73/631654673.db2.gz FCPZOGUUPXLIOA-CYBMUJFWSA-N 0 3 301.419 3.108 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000848400880 631654903 /nfs/dbraw/zinc/65/49/03/631654903.db2.gz PZRRDMFMFFHQHQ-HZPDHXFCSA-N 0 3 321.371 3.040 20 30 DGEDHN Brc1cccc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848412529 631656110 /nfs/dbraw/zinc/65/61/10/631656110.db2.gz UCKPPDVRNKIDMX-GFCCVEGCSA-N 0 3 323.238 3.260 20 30 DGEDHN CCCCN(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000848413812 631657478 /nfs/dbraw/zinc/65/74/78/631657478.db2.gz KEMDQAKUOITMLQ-QGZVFWFLSA-N 0 3 316.449 3.273 20 30 DGEDHN CCCCCCOCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000107876436 631751975 /nfs/dbraw/zinc/75/19/75/631751975.db2.gz KLICWCYJIZIEEX-MRXNPFEDSA-N 0 3 316.401 3.239 20 30 DGEDHN COc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1C#N ZINC000850395481 632138558 /nfs/dbraw/zinc/13/85/58/632138558.db2.gz TUNCGGHTQDOFEV-UXHICEINSA-N 0 3 324.424 3.415 20 30 DGEDHN COc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1C#N ZINC000850395482 632138609 /nfs/dbraw/zinc/13/86/09/632138609.db2.gz TUNCGGHTQDOFEV-VQTJNVASSA-N 0 3 324.424 3.415 20 30 DGEDHN COc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1C#N ZINC000850395480 632139050 /nfs/dbraw/zinc/13/90/50/632139050.db2.gz TUNCGGHTQDOFEV-PMACEKPBSA-N 0 3 324.424 3.415 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850419432 632146611 /nfs/dbraw/zinc/14/66/11/632146611.db2.gz DXERHFFSKZZJJI-CLCXKQKWSA-N 0 3 310.397 3.189 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419437 632146931 /nfs/dbraw/zinc/14/69/31/632146931.db2.gz DXERHFFSKZZJJI-ZRGWGRIASA-N 0 3 310.397 3.189 20 30 DGEDHN N#CC(C(=O)CC1(C#N)CCCCC1)C(=O)Nc1ccccc1 ZINC000850759270 632217013 /nfs/dbraw/zinc/21/70/13/632217013.db2.gz HMUHAUBNFLLIAG-HNNXBMFYSA-N 0 3 309.369 3.198 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cc1occc1C)c1ccccc1 ZINC000850977887 632275055 /nfs/dbraw/zinc/27/50/55/632275055.db2.gz GMNMGBSWFFTTNS-JKSUJKDBSA-N 0 3 324.380 3.107 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850978135 632275428 /nfs/dbraw/zinc/27/54/28/632275428.db2.gz MRZPTMHAKREDSV-IAGOWNOFSA-N 0 3 324.424 3.324 20 30 DGEDHN C=CCC1(NC(=O)NC[C@H]2NCCc3ccccc32)CCCC1 ZINC000851668419 632467802 /nfs/dbraw/zinc/46/78/02/632467802.db2.gz SBXWIQRRBXUQJJ-QGZVFWFLSA-N 0 3 313.445 3.062 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000852101309 632554639 /nfs/dbraw/zinc/55/46/39/632554639.db2.gz CORLALXFYAEIRG-LPHOPBHVSA-N 0 3 316.445 3.044 20 30 DGEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000852103093 632555501 /nfs/dbraw/zinc/55/55/01/632555501.db2.gz XJNKUGCCRUFMPM-CKFHNAJUSA-N 0 3 312.413 3.390 20 30 DGEDHN C=CCN(C[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H](C)COC ZINC000852357952 632594203 /nfs/dbraw/zinc/59/42/03/632594203.db2.gz KBQUVCYBFMJFJR-WFASDCNBSA-N 0 3 317.351 3.262 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2scnc2C(C)(C)C)[C@H](C)C1 ZINC000943482112 660189094 /nfs/dbraw/zinc/18/90/94/660189094.db2.gz NJFWEQPZMUVIMR-CHWSQXEVSA-N 0 3 321.490 3.067 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000943549819 660191687 /nfs/dbraw/zinc/19/16/87/660191687.db2.gz WATXGUWYEMWNMO-XJKSGUPXSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CCCC3)c2)[C@H](C)C1 ZINC000944097480 660212034 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CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)OC)cc1 ZINC000195492416 660236159 /nfs/dbraw/zinc/23/61/59/660236159.db2.gz WZCYEHMPSKHBKW-ZENOOKHLSA-N 0 3 316.401 3.272 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)s2)[C@H](C)C1 ZINC000945182182 660243031 /nfs/dbraw/zinc/24/30/31/660243031.db2.gz OZGZPHOFBGGWAM-KGLIPLIRSA-N 0 3 306.475 3.498 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H](C)C1 ZINC000945367014 660250290 /nfs/dbraw/zinc/25/02/90/660250290.db2.gz QCZPGEQAFLXLLD-ZNVHBHFFSA-N 0 3 316.489 3.053 20 30 DGEDHN C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1[O-] ZINC000185986621 660258290 /nfs/dbraw/zinc/25/82/90/660258290.db2.gz MNSZEAQHEYRKPS-LBPRGKRZSA-N 0 3 300.333 3.284 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC000996239741 660278503 /nfs/dbraw/zinc/27/85/03/660278503.db2.gz XXUBASSUXLLMIQ-PBHICJAKSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2CCCCCC2)CC1 ZINC000996956943 660302957 /nfs/dbraw/zinc/30/29/57/660302957.db2.gz DKKYPYHJHDYJKU-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3c2CCCC3)CC1 ZINC000997104992 660309157 /nfs/dbraw/zinc/30/91/57/660309157.db2.gz QDTGUQGDIQGKHF-MRXNPFEDSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2scc(C)c2Cl)CC1 ZINC000997103609 660309347 /nfs/dbraw/zinc/30/93/47/660309347.db2.gz FVLPOZOQDWSXEE-GFCCVEGCSA-N 0 3 324.877 3.173 20 30 DGEDHN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1 ZINC001032396729 660311460 /nfs/dbraw/zinc/31/14/60/660311460.db2.gz DOHSHERZWDQYSR-OALUTQOASA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000997434899 660324154 /nfs/dbraw/zinc/32/41/54/660324154.db2.gz PRWMQCFWGWQXDH-OAHLLOKOSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2sccc2CC)CC1 ZINC000997434464 660324371 /nfs/dbraw/zinc/32/43/71/660324371.db2.gz OJOHPCBLLXBWFZ-CQSZACIVSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(C(F)F)o2)CC1 ZINC000997410849 660324635 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C#CCN1CCC([C@H](C)NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000997875636 660348246 /nfs/dbraw/zinc/34/82/46/660348246.db2.gz LTHOGKQXEBPAET-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccc(C3CC3)c2)CC1 ZINC000997880571 660348716 /nfs/dbraw/zinc/34/87/16/660348716.db2.gz XATWBAWDPIJNQU-INIZCTEOSA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3CCCC3)CC[C@@H]2C1 ZINC000946444000 660360679 /nfs/dbraw/zinc/36/06/79/660360679.db2.gz VHJBMEIAFCTRIE-IYBDPMFKSA-N 0 3 310.869 3.100 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)cs2)CC1 ZINC000998008210 660363360 /nfs/dbraw/zinc/36/33/60/660363360.db2.gz XZUKJIUJWNGDRU-MRXNPFEDSA-N 0 3 318.486 3.396 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000998037043 660365318 /nfs/dbraw/zinc/36/53/18/660365318.db2.gz AHMICUJJTANMME-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)sc2C)CC1 ZINC000998051599 660366417 /nfs/dbraw/zinc/36/64/17/660366417.db2.gz RSDKVXKXXBQTNW-INIZCTEOSA-N 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C=CCN1CCC[C@@]2(CCN(C(=O)c3ccoc3CCC)C2)C1 ZINC001040493252 660404987 /nfs/dbraw/zinc/40/49/87/660404987.db2.gz JBKUQAKVJWLWHL-LJQANCHMSA-N 0 3 316.445 3.346 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ccccc2C1 ZINC001032649278 660406549 /nfs/dbraw/zinc/40/65/49/660406549.db2.gz INAINMJKPFJRDI-AABGKKOBSA-N 0 3 324.468 3.043 20 30 DGEDHN C=Cc1ccc(C(=O)N(C)C2CC(NCC(=C)Cl)C2)cc1 ZINC000999448992 660418525 /nfs/dbraw/zinc/41/85/25/660418525.db2.gz KYWVXKVSINZLKZ-UHFFFAOYSA-N 0 3 304.821 3.275 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC000999866600 660429991 /nfs/dbraw/zinc/42/99/91/660429991.db2.gz KKJGIHMMABCALF-FHERZECASA-N 0 3 320.864 3.430 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC000999876392 660430343 /nfs/dbraw/zinc/43/03/43/660430343.db2.gz MDWXVFGFIXJAPI-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1-c1ccccc1 ZINC001032782866 660444582 /nfs/dbraw/zinc/44/45/82/660444582.db2.gz LHEBLGJRYRCFDT-IRXDYDNUSA-N 0 3 321.424 3.157 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2ccccc21 ZINC001032800197 660450456 /nfs/dbraw/zinc/45/04/56/660450456.db2.gz ZSWOADSRSTZMIP-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC001001465676 660454276 /nfs/dbraw/zinc/45/42/76/660454276.db2.gz FARSGDLLZJRSPB-UHFFFAOYSA-N 0 3 310.441 3.029 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2ccc3ccccc3c2)CC1 ZINC001002073631 660463552 /nfs/dbraw/zinc/46/35/52/660463552.db2.gz WNMHZXCQTVFGMT-UHFFFAOYSA-N 0 3 320.436 3.305 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001002159708 660465888 /nfs/dbraw/zinc/46/58/88/660465888.db2.gz NEGCQKOZQOMWIX-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033074902 660536829 /nfs/dbraw/zinc/53/68/29/660536829.db2.gz CPJCHHORVSVIDR-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001004350626 660544652 /nfs/dbraw/zinc/54/46/52/660544652.db2.gz HVAFBYQXAIHUKH-MRXNPFEDSA-N 0 3 321.852 3.084 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2c(C)cccc2Cl)C1 ZINC001033230971 660593844 /nfs/dbraw/zinc/59/38/44/660593844.db2.gz PWQNFWNIBCMHRE-OAHLLOKOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001033236867 660595732 /nfs/dbraw/zinc/59/57/32/660595732.db2.gz KCQCFCKJRCEKPH-IBGZPJMESA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033277545 660603114 /nfs/dbraw/zinc/60/31/14/660603114.db2.gz XUFHBYBNPMFFTR-CMKODMSKSA-N 0 3 312.457 3.073 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)cc(F)cc2C)C1 ZINC001033320441 660607902 /nfs/dbraw/zinc/60/79/02/660607902.db2.gz ISRHIPBVQVVMFH-MRXNPFEDSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)cccc2Cl)C1 ZINC001033387492 660618181 /nfs/dbraw/zinc/61/81/81/660618181.db2.gz LHQZKFUTNIKRMX-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033464963 660625388 /nfs/dbraw/zinc/62/53/88/660625388.db2.gz DMPZGOAUZILISB-FUHWJXTLSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001033511455 660629144 /nfs/dbraw/zinc/62/91/44/660629144.db2.gz BCJJYEOJFMTIPI-APWZRJJASA-N 0 3 314.473 3.461 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C)c2Cl)C1 ZINC001033515224 660629413 /nfs/dbraw/zinc/62/94/13/660629413.db2.gz GJTQHMGPLYVFDF-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccn2C2CCCC2)C1 ZINC001033539814 660631233 /nfs/dbraw/zinc/63/12/33/660631233.db2.gz MLAGVALWRZQFHX-QGZVFWFLSA-N 0 3 315.461 3.326 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3sccc3c2)C1 ZINC001033548413 660631360 /nfs/dbraw/zinc/63/13/60/660631360.db2.gz QPSVMJUGWBRJGW-MRXNPFEDSA-N 0 3 312.438 3.071 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC001033608058 660638527 /nfs/dbraw/zinc/63/85/27/660638527.db2.gz AJYPVVZCJJAZKP-AZRLCKCBSA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sc(CCC)nc2C)C1 ZINC001033656131 660646210 /nfs/dbraw/zinc/64/62/10/660646210.db2.gz OXORURGEBZAEJT-AWEZNQCLSA-N 0 3 321.490 3.126 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001033681069 660649434 /nfs/dbraw/zinc/64/94/34/660649434.db2.gz RHIFMLVPADZAGZ-UKRRQHHQSA-N 0 3 322.399 3.177 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001033690924 660651511 /nfs/dbraw/zinc/65/15/11/660651511.db2.gz JANFFSSCEDFIOT-LPHOPBHVSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001033691323 660651915 /nfs/dbraw/zinc/65/19/15/660651915.db2.gz VFAVPGHBXAANDY-OAHLLOKOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001033691322 660652013 /nfs/dbraw/zinc/65/20/13/660652013.db2.gz VFAVPGHBXAANDY-HNNXBMFYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3c(cccc3C)o2)C1 ZINC001033698825 660653222 /nfs/dbraw/zinc/65/32/22/660653222.db2.gz ZCAGGPOYQQEWRB-OAHLLOKOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001033716701 660654888 /nfs/dbraw/zinc/65/48/88/660654888.db2.gz XJRPWHNCDXCDNL-CQSZACIVSA-N 0 3 315.392 3.029 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2coc(C(C)(C)C)n2)CC1 ZINC001005385268 660666842 /nfs/dbraw/zinc/66/68/42/660666842.db2.gz REWZYSGCAOJFAZ-UHFFFAOYSA-N 0 3 319.449 3.085 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033957510 660683862 /nfs/dbraw/zinc/68/38/62/660683862.db2.gz KVQNQPIQNKCOAM-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001033939757 660684399 /nfs/dbraw/zinc/68/43/99/660684399.db2.gz ACWGDQDUSOMTAV-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033986647 660689682 /nfs/dbraw/zinc/68/96/82/660689682.db2.gz VFVNNXULNBDXHL-YSIASYRMSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2scnc2C2CC2)C1 ZINC001033980635 660690156 /nfs/dbraw/zinc/69/01/56/660690156.db2.gz WJEGVJKTZRVGQG-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034021239 660694833 /nfs/dbraw/zinc/69/48/33/660694833.db2.gz VGSMUVCRRCAWRN-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046253 660701195 /nfs/dbraw/zinc/70/11/95/660701195.db2.gz RBUGRODHSCJYBM-IBGZPJMESA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001034047859 660701330 /nfs/dbraw/zinc/70/13/30/660701330.db2.gz LZLKLYLSPPSBOT-INIZCTEOSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2OC)C1 ZINC001034028259 660696088 /nfs/dbraw/zinc/69/60/88/660696088.db2.gz YLNWKEWUHPCRCN-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC001034030800 660696567 /nfs/dbraw/zinc/69/65/67/660696567.db2.gz WDHYHEIOXLLXLB-MRXNPFEDSA-N 0 3 306.837 3.453 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@@H](NC(=O)C=C3CCC3)C2)cc1 ZINC001034156692 660717982 /nfs/dbraw/zinc/71/79/82/660717982.db2.gz BRBJCDCDVLBLKK-LJQANCHMSA-N 0 3 323.440 3.139 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034226277 660724911 /nfs/dbraw/zinc/72/49/11/660724911.db2.gz PTOALBZAALWQDE-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001034232983 660726274 /nfs/dbraw/zinc/72/62/74/660726274.db2.gz ZTKGKXVAZWLKHY-KRWDZBQOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001034235374 660726408 /nfs/dbraw/zinc/72/64/08/660726408.db2.gz CUEIGQBBILNVPS-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCCN(CC=C(C)C)C1 ZINC001034246961 660727400 /nfs/dbraw/zinc/72/74/00/660727400.db2.gz IJOIKPGEPDHNIV-QGZVFWFLSA-N 0 3 315.461 3.225 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001034267376 660730181 /nfs/dbraw/zinc/73/01/81/660730181.db2.gz GOYPNDUWVCLEIQ-GFCCVEGCSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001034288370 660732845 /nfs/dbraw/zinc/73/28/45/660732845.db2.gz JSRRXKDBJPHLHX-OAHLLOKOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034290425 660733195 /nfs/dbraw/zinc/73/31/95/660733195.db2.gz GFPCOAGTYPZNAW-QGZVFWFLSA-N 0 3 313.445 3.119 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1C ZINC000947963583 660734718 /nfs/dbraw/zinc/73/47/18/660734718.db2.gz VBWAHDQAPPVGND-DNVCBOLYSA-N 0 3 306.409 3.056 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034317713 660736367 /nfs/dbraw/zinc/73/63/67/660736367.db2.gz ARERBNZBVZDZKJ-ZJPYXAASSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001034338299 660738585 /nfs/dbraw/zinc/73/85/85/660738585.db2.gz CCFSRDIVXHGEIG-MRXNPFEDSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001034372994 660742718 /nfs/dbraw/zinc/74/27/18/660742718.db2.gz QHVANPZMEFRSIX-WMZOPIPTSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001034366235 660744551 /nfs/dbraw/zinc/74/45/51/660744551.db2.gz XNEQASZFSAKFQP-CQSZACIVSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001034378614 660745586 /nfs/dbraw/zinc/74/55/86/660745586.db2.gz KKZONHMIJLZMSG-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001034394160 660747113 /nfs/dbraw/zinc/74/71/13/660747113.db2.gz LPOJHKCQLGWDHD-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001034416978 660751301 /nfs/dbraw/zinc/75/13/01/660751301.db2.gz PJZPDXHBCLBCPV-QGZVFWFLSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001034418563 660751729 /nfs/dbraw/zinc/75/17/29/660751729.db2.gz VIAFUENCFDXUSL-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001034447701 660752934 /nfs/dbraw/zinc/75/29/34/660752934.db2.gz JETXQMHDOJBOBH-JKSUJKDBSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001034434714 660753838 /nfs/dbraw/zinc/75/38/38/660753838.db2.gz CEMCSMFPLCNIFR-BZUAXINKSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001034443888 660754870 /nfs/dbraw/zinc/75/48/70/660754870.db2.gz AVVIOWGBYKDNJL-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001034478775 660757670 /nfs/dbraw/zinc/75/76/70/660757670.db2.gz OICPGZOHODKWLJ-OAHLLOKOSA-N 0 3 318.465 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001034481637 660757780 /nfs/dbraw/zinc/75/77/80/660757780.db2.gz VTIIJAOWAXYNLA-HNNXBMFYSA-N 0 3 304.434 3.311 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001034472136 660758435 /nfs/dbraw/zinc/75/84/35/660758435.db2.gz QRENPQDVWODLLS-ZDUSSCGKSA-N 0 3 317.458 3.390 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001034503389 660762606 /nfs/dbraw/zinc/76/26/06/660762606.db2.gz ZHQIJCNRCJUJOB-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001034513314 660765158 /nfs/dbraw/zinc/76/51/58/660765158.db2.gz ZCEKUBOLTQDKPL-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001034550990 660768527 /nfs/dbraw/zinc/76/85/27/660768527.db2.gz NIEXZUORABDLCZ-AWEZNQCLSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001034541265 660770366 /nfs/dbraw/zinc/77/03/66/660770366.db2.gz ONEPYDAEHAFHOP-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001034540565 660770647 /nfs/dbraw/zinc/77/06/47/660770647.db2.gz IKTCRSRLRIJOIX-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(COC)cs2)CC1 ZINC001005665174 660786998 /nfs/dbraw/zinc/78/69/98/660786998.db2.gz URRBBBQSPOLFNM-UHFFFAOYSA-N 0 3 322.474 3.007 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccnc(C3CC3)c2)CC1 ZINC001005665750 660787002 /nfs/dbraw/zinc/78/70/02/660787002.db2.gz ZGEDPSDGYINXBF-UHFFFAOYSA-N 0 3 313.445 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)oc(C)c2C)CC1 ZINC001005685822 660789028 /nfs/dbraw/zinc/78/90/28/660789028.db2.gz RSNAJFCTPDWIAH-UHFFFAOYSA-N 0 3 304.434 3.317 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001035013410 660809045 /nfs/dbraw/zinc/80/90/45/660809045.db2.gz BSFCRDLTLBDTIY-OAHLLOKOSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC001005770095 660813292 /nfs/dbraw/zinc/81/32/92/660813292.db2.gz QXCAFQNEYZWUMP-QZTJIDSGSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(F)ccc1F)CC2 ZINC001035724039 660847195 /nfs/dbraw/zinc/84/71/95/660847195.db2.gz QGWIJQBDWSOZJJ-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c[nH]c3ccccc13)CC2 ZINC001035745005 660847240 /nfs/dbraw/zinc/84/72/40/660847240.db2.gz ZNWKCGGGTRFEKI-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(C)oc(C)c1C)CC2 ZINC001035745193 660848239 /nfs/dbraw/zinc/84/82/39/660848239.db2.gz DLVLWJPJFYTZOZ-UHFFFAOYSA-N 0 3 316.445 3.319 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)CC2 ZINC001035737566 660848450 /nfs/dbraw/zinc/84/84/50/660848450.db2.gz JVKDQEBWXHORRU-ZWKOTPCHSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@H]1C)CC2 ZINC001035786760 660851718 /nfs/dbraw/zinc/85/17/18/660851718.db2.gz DDTZFWUTSGHEEM-SJLPKXTDSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccccc1C)CC2 ZINC001035849229 660856075 /nfs/dbraw/zinc/85/60/75/660856075.db2.gz SXYGLHCVQNWZFK-UHFFFAOYSA-N 0 3 312.457 3.038 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCC(C)(C)C1)CC2 ZINC001035859970 660860895 /nfs/dbraw/zinc/86/08/95/660860895.db2.gz GBQDDWQVOOTTRS-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2coc(C(F)F)c2)CC1 ZINC000948722693 660949250 /nfs/dbraw/zinc/94/92/50/660949250.db2.gz XADHECMQVVDIQB-CQSZACIVSA-N 0 3 324.371 3.167 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)c(C)c2)CC1 ZINC001005921919 660949776 /nfs/dbraw/zinc/94/97/76/660949776.db2.gz CTNPAMUWSUHRSP-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3ncccc3c2)CC1 ZINC001005935614 660951099 /nfs/dbraw/zinc/95/10/99/660951099.db2.gz YKRXOLACURBZEV-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)cc2Cl)CC1 ZINC001006029033 660957374 /nfs/dbraw/zinc/95/73/74/660957374.db2.gz NLABNBGFTMNPFK-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C3CC3)s2)CC1 ZINC001006291534 660973217 /nfs/dbraw/zinc/97/32/17/660973217.db2.gz AROMUGNCWVQFKD-UHFFFAOYSA-N 0 3 304.459 3.348 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1cccc(C)n1 ZINC000793201996 661012584 /nfs/dbraw/zinc/01/25/84/661012584.db2.gz BZAMFKJLRQCSPD-UHFFFAOYSA-N 0 3 314.816 3.388 20 30 DGEDHN C[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000794822202 661107447 /nfs/dbraw/zinc/10/74/47/661107447.db2.gz AOONKMPIAVWWQZ-NWDGAFQWSA-N 0 3 321.396 3.261 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(CF)cc3)C2)nc1 ZINC000794832162 661108411 /nfs/dbraw/zinc/10/84/11/661108411.db2.gz KFFMCSGCFJGVES-QGZVFWFLSA-N 0 3 311.360 3.076 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OCCC)c2)C[C@H]1C ZINC000947365919 655525464 /nfs/dbraw/zinc/52/54/64/655525464.db2.gz WBYCHNCVSXWEMF-WBVHZDCISA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC000969130598 655526815 /nfs/dbraw/zinc/52/68/15/655526815.db2.gz MTBLWSQXQXTSSD-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC000969139300 655527414 /nfs/dbraw/zinc/52/74/14/655527414.db2.gz LIYKPBDIWHXDCG-INIZCTEOSA-N 0 3 311.429 3.328 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000969141941 655527612 /nfs/dbraw/zinc/52/76/12/655527612.db2.gz PTBTWWLEPHQCQJ-FQEVSTJZSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC000969141731 655527626 /nfs/dbraw/zinc/52/76/26/655527626.db2.gz KMBIQURDEGASBD-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000969141776 655527782 /nfs/dbraw/zinc/52/77/82/655527782.db2.gz LPQKDVTUVPNPDC-LJQANCHMSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000969156375 655529209 /nfs/dbraw/zinc/52/92/09/655529209.db2.gz RGGIQBAMCZSMBD-ZGUYJTEBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001020441591 655537166 /nfs/dbraw/zinc/53/71/66/655537166.db2.gz DGVFHBKJSRRCOP-HDJSIYSDSA-N 0 3 321.852 3.116 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000969584820 655551461 /nfs/dbraw/zinc/55/14/61/655551461.db2.gz NXNWIJNCRQEEJJ-GXTWGEPZSA-N 0 3 322.399 3.429 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000969583919 655551534 /nfs/dbraw/zinc/55/15/34/655551534.db2.gz COVHSYIFCOHBQA-OAHLLOKOSA-N 0 3 304.409 3.037 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000969831392 655559079 /nfs/dbraw/zinc/55/90/79/655559079.db2.gz GBNHCDJMJMJCLE-VQIMIIECSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N[C@H](C)c3ccccc3F)C2)C1 ZINC000969883062 655562087 /nfs/dbraw/zinc/56/20/87/655562087.db2.gz LJOIPLRISLEOAP-HUUCEWRRSA-N 0 3 316.420 3.434 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001020681475 655569172 /nfs/dbraw/zinc/56/91/72/655569172.db2.gz HMLBYEJWWPNLBB-MGCOHNPYSA-N 0 3 305.230 3.004 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC001039116687 655581564 /nfs/dbraw/zinc/58/15/64/655581564.db2.gz ORVMPDTWPIDTCQ-PBHICJAKSA-N 0 3 324.896 3.346 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC000970161225 655582687 /nfs/dbraw/zinc/58/26/87/655582687.db2.gz CGKXULAANXDKLF-MRXNPFEDSA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001021014381 655586701 /nfs/dbraw/zinc/58/67/01/655586701.db2.gz WXEZVSDNDBZDQX-QAQDUYKDSA-N 0 3 318.848 3.168 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc3ccccc3c2C)C1 ZINC000970176860 655586956 /nfs/dbraw/zinc/58/69/56/655586956.db2.gz NWKSSGBIWBRNJE-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC000970225707 655589162 /nfs/dbraw/zinc/58/91/62/655589162.db2.gz KWGUMOUDCMJUTH-OAHLLOKOSA-N 0 3 315.461 3.140 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001021078485 655589240 /nfs/dbraw/zinc/58/92/40/655589240.db2.gz IPSIMLKSXKVWRO-WKILWMFISA-N 0 3 304.821 3.167 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccn(C(C)C)c2C)C1 ZINC000970315204 655593467 /nfs/dbraw/zinc/59/34/67/655593467.db2.gz UTAKPTJBCAMZQH-AWEZNQCLSA-N 0 3 303.450 3.004 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccn(C(C)C)c2C)C1 ZINC000970315205 655593623 /nfs/dbraw/zinc/59/36/23/655593623.db2.gz UTAKPTJBCAMZQH-CQSZACIVSA-N 0 3 303.450 3.004 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC000970352014 655596018 /nfs/dbraw/zinc/59/60/18/655596018.db2.gz UAAAJAUVSCRIMC-HNNXBMFYSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)CC1 ZINC000970377346 655597058 /nfs/dbraw/zinc/59/70/58/655597058.db2.gz PTIIREJVESEPSR-INIZCTEOSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000970479885 655602043 /nfs/dbraw/zinc/60/20/43/655602043.db2.gz KATZGDIKORMNIX-BGTYHANMSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC000970522946 655604387 /nfs/dbraw/zinc/60/43/87/655604387.db2.gz HCWFGSDMQKJSLL-HNNXBMFYSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000970544060 655605573 /nfs/dbraw/zinc/60/55/73/655605573.db2.gz FTAAABCQRJLFJW-ICXUMSERSA-N 0 3 304.478 3.215 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000175945443 655647159 /nfs/dbraw/zinc/64/71/59/655647159.db2.gz NZLLFDIAADHUNC-GUYCJALGSA-N 0 3 308.381 3.177 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC000970996020 655648472 /nfs/dbraw/zinc/64/84/72/655648472.db2.gz FUCXVCZSLWSNIH-HNNXBMFYSA-N 0 3 314.473 3.438 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC(C)(C)C2)C1 ZINC001021656800 655650685 /nfs/dbraw/zinc/65/06/85/655650685.db2.gz XKEAEJOYNYVAQJ-QZTJIDSGSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(CCC)cc2)C1 ZINC001021660442 655650904 /nfs/dbraw/zinc/65/09/04/655650904.db2.gz ZVKXEBSTLRWVNK-WOJBJXKFSA-N 0 3 324.468 3.199 20 30 DGEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000971071229 655657486 /nfs/dbraw/zinc/65/74/86/655657486.db2.gz ONJBGFZQYDQLRT-KRWDZBQOSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(CC)cc2)C1 ZINC001021724215 655664364 /nfs/dbraw/zinc/66/43/64/655664364.db2.gz KIOZODPXNKLQOL-VQTJNVASSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCC1(NCC(=O)Nc2cc(Cl)ccc2Cl)CCC1 ZINC000933298902 655698181 /nfs/dbraw/zinc/69/81/81/655698181.db2.gz MNMHLDLMHZBVDE-UHFFFAOYSA-N 0 3 311.212 3.468 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC000971687979 655721288 /nfs/dbraw/zinc/72/12/88/655721288.db2.gz RRMHELGSGBBQMN-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001022364930 655732113 /nfs/dbraw/zinc/73/21/13/655732113.db2.gz QUZYOZZHAXHUMC-CALCHBBNSA-N 0 3 320.864 3.342 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000971889788 655744176 /nfs/dbraw/zinc/74/41/76/655744176.db2.gz NBDXUHKNVNIKLA-AWEZNQCLSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cc3ccccc3s2)C1 ZINC000971928364 655748782 /nfs/dbraw/zinc/74/87/82/655748782.db2.gz MEVIZIYMFAEJPK-HNNXBMFYSA-N 0 3 314.454 3.163 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3cscc3s2)C1 ZINC000971957573 655750781 /nfs/dbraw/zinc/75/07/81/655750781.db2.gz LFVQLIPLBAPRQZ-LBPRGKRZSA-N 0 3 306.456 3.295 20 30 DGEDHN N#CC(C(=O)CCc1ccc(Cl)s1)C(=O)NC1CCCC1 ZINC000051654555 655775974 /nfs/dbraw/zinc/77/59/74/655775974.db2.gz UPKROKNVBIQMHL-LBPRGKRZSA-N 0 3 324.833 3.102 20 30 DGEDHN C=CC[C@@H]1CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000934468195 655777544 /nfs/dbraw/zinc/77/75/44/655777544.db2.gz VSJDIONPLIOOKQ-CHWSQXEVSA-N 0 3 311.410 3.123 20 30 DGEDHN C#C[C@@H]1CCCCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000934515045 655782200 /nfs/dbraw/zinc/78/22/00/655782200.db2.gz FZNKCWQUIQEOEX-GOSISDBHSA-N 0 3 312.457 3.290 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC000972320712 655788630 /nfs/dbraw/zinc/78/86/30/655788630.db2.gz OUYORYNZKXASCE-GFCCVEGCSA-N 0 3 312.335 3.096 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178653626 655793980 /nfs/dbraw/zinc/79/39/80/655793980.db2.gz TZIYQSQZFCTEMQ-ZDUSSCGKSA-N 0 3 311.341 3.348 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC000972432543 655797874 /nfs/dbraw/zinc/79/78/74/655797874.db2.gz AADLJVINDQWPRW-ZWKOTPCHSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC000972432538 655797927 /nfs/dbraw/zinc/79/79/27/655797927.db2.gz AADLJVINDQWPRW-MSOLQXFVSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C[C@@H]1C ZINC000947520604 655799480 /nfs/dbraw/zinc/79/94/80/655799480.db2.gz PUNFOWAFCLGIAC-WCQYABFASA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(F)cc(C)cc2F)C[C@H]1C ZINC000947532975 655807244 /nfs/dbraw/zinc/80/72/44/655807244.db2.gz OVDQIFLIUUDVRB-CHWSQXEVSA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001023025285 655809322 /nfs/dbraw/zinc/80/93/22/655809322.db2.gz DRLAKJFPMHSTDV-AOOOYVTPSA-N 0 3 319.257 3.313 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001023031553 655809960 /nfs/dbraw/zinc/80/99/60/655809960.db2.gz XFMRXIKJZWBHBY-DTORHVGOSA-N 0 3 320.792 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001023055245 655811223 /nfs/dbraw/zinc/81/12/23/655811223.db2.gz WXEZVSDNDBZDQX-CALCHBBNSA-N 0 3 318.848 3.168 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2coc3c2cccc3C)C1 ZINC001023418149 655832837 /nfs/dbraw/zinc/83/28/37/655832837.db2.gz UZSSETNGKTWWST-MRXNPFEDSA-N 0 3 324.424 3.206 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001023770157 655864023 /nfs/dbraw/zinc/86/40/23/655864023.db2.gz RLVAAGXAHQNDFQ-MRXNPFEDSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001024136044 655889197 /nfs/dbraw/zinc/88/91/97/655889197.db2.gz SLQNXQVODGVUMK-PBHICJAKSA-N 0 3 321.490 3.074 20 30 DGEDHN COc1cc(F)cc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000179432576 655892751 /nfs/dbraw/zinc/89/27/51/655892751.db2.gz VJFKXGHLUNMJLY-ZDUSSCGKSA-N 0 3 314.360 3.415 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001024464513 655907944 /nfs/dbraw/zinc/90/79/44/655907944.db2.gz XPKJINITIYJUKN-HOTGVXAUSA-N 0 3 318.465 3.015 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001024469508 655908625 /nfs/dbraw/zinc/90/86/25/655908625.db2.gz RYEFWSVRGJOLRF-AWEZNQCLSA-N 0 3 323.387 3.180 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001024508878 655912191 /nfs/dbraw/zinc/91/21/91/655912191.db2.gz NRZWDWDABSTSNB-AZUAARDMSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001024581442 655920383 /nfs/dbraw/zinc/92/03/83/655920383.db2.gz JRRBLPDBPILZRN-HNNXBMFYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001024649223 655927937 /nfs/dbraw/zinc/92/79/37/655927937.db2.gz RKMJANSRMPFWBX-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001024681830 655930537 /nfs/dbraw/zinc/93/05/37/655930537.db2.gz SXHSXCBNSTUTIV-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001024743412 655934581 /nfs/dbraw/zinc/93/45/81/655934581.db2.gz JVIXXXWLGPLANZ-CYBMUJFWSA-N 0 3 317.458 3.390 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024781962 655938287 /nfs/dbraw/zinc/93/82/87/655938287.db2.gz DXEJQFWOEHZEHZ-QGZVFWFLSA-N 0 3 313.445 3.119 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001024816083 655942320 /nfs/dbraw/zinc/94/23/20/655942320.db2.gz BAVWKEYBDGPDAR-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C\Cl)C2)C1 ZINC001036815432 661207719 /nfs/dbraw/zinc/20/77/19/661207719.db2.gz FICLQVRFZNYFBE-DLRQWSEHSA-N 0 3 308.853 3.018 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001025070092 655963436 /nfs/dbraw/zinc/96/34/36/655963436.db2.gz UKSSUJCSHPRZBP-PKOBYXMFSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188983 655974477 /nfs/dbraw/zinc/97/44/77/655974477.db2.gz NECQMOSEBOIBAT-UONOGXRCSA-N 0 3 300.393 3.063 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025194832 655976087 /nfs/dbraw/zinc/97/60/87/655976087.db2.gz GPPDKKRVRKWTKA-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025194554 655976144 /nfs/dbraw/zinc/97/61/44/655976144.db2.gz DXDPIFUKLGHGQK-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1scnc1C ZINC001025198797 655976186 /nfs/dbraw/zinc/97/61/86/655976186.db2.gz RGJZXPFCDZOPIR-HUUCEWRRSA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C ZINC001025198344 655977665 /nfs/dbraw/zinc/97/76/65/655977665.db2.gz OPPJNTKMQJRBAT-IAGOWNOFSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001025208835 655978706 /nfs/dbraw/zinc/97/87/06/655978706.db2.gz FNYGPRJMZRBTHM-RBUKOAKNSA-N 0 3 314.473 3.356 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025214273 655979245 /nfs/dbraw/zinc/97/92/45/655979245.db2.gz XNKIOIITTGKUPO-HZPDHXFCSA-N 0 3 320.477 3.023 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001025215148 655979852 /nfs/dbraw/zinc/97/98/52/655979852.db2.gz JDRNQMQFMJIQQG-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227606 655981717 /nfs/dbraw/zinc/98/17/17/655981717.db2.gz RNWSHXWRAOWGET-DLBZAZTESA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CCCC1 ZINC001025254014 655985480 /nfs/dbraw/zinc/98/54/80/655985480.db2.gz CXWPONJEQMUQPP-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CCCC1 ZINC001025255112 655985715 /nfs/dbraw/zinc/98/57/15/655985715.db2.gz NSSGWWROAHLEFK-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001025256592 655985858 /nfs/dbraw/zinc/98/58/58/655985858.db2.gz YUBCOWDYYDJICE-IRXDYDNUSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1CC ZINC001025261121 655986558 /nfs/dbraw/zinc/98/65/58/655986558.db2.gz UCFRMHZHKJFCPM-PMACEKPBSA-N 0 3 324.468 3.341 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CCCCC1 ZINC001025268042 655986926 /nfs/dbraw/zinc/98/69/26/655986926.db2.gz VAXJUXMQCJXYQV-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2scc(C)c2Cl)C1 ZINC001025426961 656009257 /nfs/dbraw/zinc/00/92/57/656009257.db2.gz ACMJZJSCCKTFDK-CHWSQXEVSA-N 0 3 324.877 3.173 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2scc(C)c2Cl)C1 ZINC001025426964 656009447 /nfs/dbraw/zinc/00/94/47/656009447.db2.gz ACMJZJSCCKTFDK-QWHCGFSZSA-N 0 3 324.877 3.173 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC001025423733 656010301 /nfs/dbraw/zinc/01/03/01/656010301.db2.gz DHPONUPBEVDDDR-CABCVRRESA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)oc(C)c2C)C1 ZINC001025477350 656019637 /nfs/dbraw/zinc/01/96/37/656019637.db2.gz GTIVLKIDKNKBAB-YOEHRIQHSA-N 0 3 316.445 3.058 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC001025544263 656033467 /nfs/dbraw/zinc/03/34/67/656033467.db2.gz SDQQHPJXJFZOTF-JKSUJKDBSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001025555252 656035838 /nfs/dbraw/zinc/03/58/38/656035838.db2.gz LBBPZMJMVXPRPJ-VPRUJKLYSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2oc3ccccc3c2C)C1 ZINC001025613766 656047728 /nfs/dbraw/zinc/04/77/28/656047728.db2.gz ABEKKRPSFLYZDT-HZPDHXFCSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001025614001 656047826 /nfs/dbraw/zinc/04/78/26/656047826.db2.gz DXRISYGULZXSBG-QZTJIDSGSA-N 0 3 312.457 3.075 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001025631679 656052297 /nfs/dbraw/zinc/05/22/97/656052297.db2.gz CYUYVWIHKCNPDA-MVYVIFSASA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC001025632497 656052939 /nfs/dbraw/zinc/05/29/39/656052939.db2.gz LFPARFGROFXHOI-YJBOKZPZSA-N 0 3 316.420 3.010 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2coc3ccccc23)C1 ZINC001025636646 656054059 /nfs/dbraw/zinc/05/40/59/656054059.db2.gz BFAWSZGWQGUJSS-HOTGVXAUSA-N 0 3 324.424 3.286 20 30 DGEDHN CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036876105 661219574 /nfs/dbraw/zinc/21/95/74/661219574.db2.gz KVFZADSLRVWLTM-RBUKOAKNSA-N 0 3 324.468 3.007 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1c(C)c(C)ccc1Cl ZINC000931090182 656171119 /nfs/dbraw/zinc/17/11/19/656171119.db2.gz IKNJIOIEFMNPHO-UHFFFAOYSA-N 0 3 307.825 3.033 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCOC(F)F)c([O-])c1 ZINC000193235422 656187735 /nfs/dbraw/zinc/18/77/35/656187735.db2.gz BAJYNQARIXJMGG-WOJGMQOQSA-N 0 3 300.349 3.287 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000974584739 656215575 /nfs/dbraw/zinc/21/55/75/656215575.db2.gz CSFVYWWSXWVCPV-OKZBNKHCSA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C(C)(C)C1 ZINC000974788677 656230049 /nfs/dbraw/zinc/23/00/49/656230049.db2.gz HOGNCVMFUHBJSU-MRXNPFEDSA-N 0 3 311.429 3.103 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2CCC)C(C)(C)C1 ZINC000974823732 656232493 /nfs/dbraw/zinc/23/24/93/656232493.db2.gz RJDMHIIOMCJJOK-GOSISDBHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(F)cc2Cl)C(C)(C)C1 ZINC000974990991 656248551 /nfs/dbraw/zinc/24/85/51/656248551.db2.gz AHUJVZVXJLNBGB-HNNXBMFYSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)c2ccsc2)C(C)(C)C1 ZINC000975033146 656252226 /nfs/dbraw/zinc/25/22/26/656252226.db2.gz XXELIBYZTZKOGH-DZGCQCFKSA-N 0 3 306.475 3.254 20 30 DGEDHN C[C@@H]1OCC[C@@]12CN(CCCCC1(C#N)CCC1)C[C@@H](C)O2 ZINC000930269912 661242531 /nfs/dbraw/zinc/24/25/31/661242531.db2.gz WDLQAWXFOLEYLB-SOLBZPMBSA-N 0 3 306.450 3.119 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3cscc3s2)C1 ZINC001027495044 656317843 /nfs/dbraw/zinc/31/78/43/656317843.db2.gz PSEZBDCWZHNQPB-CYBMUJFWSA-N 0 3 318.467 3.132 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2scnc2C(C)C)C(C)(C)C1 ZINC000977273769 656319683 /nfs/dbraw/zinc/31/96/83/656319683.db2.gz PFNWKOQIXSGUIF-ZDUSSCGKSA-N 0 3 321.490 3.283 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2csc3ccccc32)C1 ZINC001027512078 656324508 /nfs/dbraw/zinc/32/45/08/656324508.db2.gz JXEBIYBCERUCML-CQSZACIVSA-N 0 3 312.438 3.071 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3ccncc32)C(C)(C)C1 ZINC000977419158 656327722 /nfs/dbraw/zinc/32/77/22/656327722.db2.gz DTMABWNXHIPPBP-GOSISDBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc(C)c(CC)o2)C(C)(C)C1 ZINC000977443887 656330296 /nfs/dbraw/zinc/33/02/96/656330296.db2.gz KJHIYYJSLXMNEL-INIZCTEOSA-N 0 3 304.434 3.167 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977459066 656332287 /nfs/dbraw/zinc/33/22/87/656332287.db2.gz DLNNUNQKNFBQAC-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977493555 656334804 /nfs/dbraw/zinc/33/48/04/656334804.db2.gz BSXHKYYLRHKPAB-DOTOQJQBSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccccc2Cl)C(C)(C)C1 ZINC000977561540 656343514 /nfs/dbraw/zinc/34/35/14/656343514.db2.gz AWUITRIVFUEVDC-MRXNPFEDSA-N 0 3 320.864 3.285 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC001027651299 656386174 /nfs/dbraw/zinc/38/61/74/656386174.db2.gz NAVOWTVMFNRAHB-LJQANCHMSA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001027659752 656388041 /nfs/dbraw/zinc/38/80/41/656388041.db2.gz UHQRRYZURWEBRP-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001027659750 656388165 /nfs/dbraw/zinc/38/81/65/656388165.db2.gz UHQRRYZURWEBRP-MOPGFXCFSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3c(s2)CCCC3)CC1 ZINC001006370784 661258406 /nfs/dbraw/zinc/25/84/06/661258406.db2.gz RIYHBAWENTZEOU-UHFFFAOYSA-N 0 3 318.486 3.349 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)c(CC)s2)CC1 ZINC001006378680 661258676 /nfs/dbraw/zinc/25/86/76/661258676.db2.gz XLKDSRJUGYZCLF-UHFFFAOYSA-N 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C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccc(C)c1 ZINC001039444787 656503302 /nfs/dbraw/zinc/50/33/02/656503302.db2.gz SBWUXDBWICMQSM-RLLQIKCJSA-N 0 3 324.468 3.187 20 30 DGEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)s1 ZINC001039477405 656511920 /nfs/dbraw/zinc/51/19/20/656511920.db2.gz XPRATIDIBCJVOG-OLZOCXBDSA-N 0 3 308.422 3.142 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2cc(C)sc2C)C1 ZINC000980511874 656515019 /nfs/dbraw/zinc/51/50/19/656515019.db2.gz SOHYBVUFZOTIEC-INIZCTEOSA-N 0 3 306.475 3.016 20 30 DGEDHN O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039579613 656529175 /nfs/dbraw/zinc/52/91/75/656529175.db2.gz QKJLVHDAGZRZJT-KDURUIRLSA-N 0 3 314.473 3.045 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C[C@@H](C)CC)C1 ZINC001039906327 656541356 /nfs/dbraw/zinc/54/13/56/656541356.db2.gz KVVDIGNAZIOGPL-BHYGNILZSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1)c1ccccc1 ZINC001040012557 656549891 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C=CCN1CC[C@H](NC(=O)c2cc3occc3s2)C[C@H]1C ZINC000947718901 656565068 /nfs/dbraw/zinc/56/50/68/656565068.db2.gz DSFZANOPWAEYSH-NEPJUHHUSA-N 0 3 304.415 3.263 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@]3(C)CC=CCC3)C2)C1 ZINC001040221636 656570100 /nfs/dbraw/zinc/57/01/00/656570100.db2.gz UCYYOMAJTJAVOH-WOJBJXKFSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3c(C)oc(C)c3C)C2)C1 ZINC001040283813 656573694 /nfs/dbraw/zinc/57/36/94/656573694.db2.gz OGAFJURBYNUHJC-LJQANCHMSA-N 0 3 316.445 3.319 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCCN(C[C@@H](F)CC)C3)C1 ZINC001040379525 656583153 /nfs/dbraw/zinc/58/31/53/656583153.db2.gz KKUWWRZMUOXFSF-LPHOPBHVSA-N 0 3 322.468 3.405 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCCN(C[C@H](F)CC)C3)C1 ZINC001040379524 656583215 /nfs/dbraw/zinc/58/32/15/656583215.db2.gz KKUWWRZMUOXFSF-APWZRJJASA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OC)c(C(C)C)c1 ZINC001028003750 656589897 /nfs/dbraw/zinc/58/98/97/656589897.db2.gz 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C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2occc2c1 ZINC001049490068 656628938 /nfs/dbraw/zinc/62/89/38/656628938.db2.gz HYZCXPNBOGPRAP-IRXDYDNUSA-N 0 3 310.397 3.298 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sc(C)cc1C ZINC001049499057 656630605 /nfs/dbraw/zinc/63/06/05/656630605.db2.gz UFRRCDJSWBRLPN-JKSUJKDBSA-N 0 3 316.470 3.067 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c2ccccc12 ZINC001049579987 656643930 /nfs/dbraw/zinc/64/39/30/656643930.db2.gz QPSCNBPADWWNAL-MOPGFXCFSA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC)s1 ZINC001049580983 656644348 /nfs/dbraw/zinc/64/43/48/656644348.db2.gz XBHXSYIOPDUECA-CVEARBPZSA-N 0 3 316.470 3.013 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)oc(C)c1C ZINC001049583385 656645183 /nfs/dbraw/zinc/64/51/83/656645183.db2.gz VPOJGLWXXNZVKC-IAGOWNOFSA-N 0 3 316.445 3.460 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCC2(CC2)CC1 ZINC001049600141 656647675 /nfs/dbraw/zinc/64/76/75/656647675.db2.gz 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C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1CC ZINC001049694403 656667711 /nfs/dbraw/zinc/66/77/11/656667711.db2.gz CQRVXSUCNTVERE-CVEARBPZSA-N 0 3 302.418 3.097 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)C2)C1 ZINC001041726143 656670192 /nfs/dbraw/zinc/67/01/92/656670192.db2.gz UVSLEYZACVSRMS-FFZOFVMBSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)C3CCCCC3)C2)C1 ZINC001041737184 656672250 /nfs/dbraw/zinc/67/22/50/656672250.db2.gz FRBAULAYRKGFGY-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H](C)C3CCCCC3)C2)C1 ZINC001041737182 656672302 /nfs/dbraw/zinc/67/23/02/656672302.db2.gz FRBAULAYRKGFGY-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)C1 ZINC001041757984 656673089 /nfs/dbraw/zinc/67/30/89/656673089.db2.gz GGZXFBXKOQSLDC-QWFCFKBJSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C1CCC1 ZINC001049722083 656674510 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C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC(CC1)C2(C)C ZINC001049772417 656685040 /nfs/dbraw/zinc/68/50/40/656685040.db2.gz HEZUNXVYKNCRSD-MUZJZNNISA-N 0 3 316.489 3.454 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc([C@@H](C)CC)cc3)C2)C1 ZINC001041845976 656685650 /nfs/dbraw/zinc/68/56/50/656685650.db2.gz UMYJEKSTJKVTEE-UWJYYQICSA-N 0 3 324.468 3.371 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1csc(C(C)C)n1 ZINC001049789874 656687121 /nfs/dbraw/zinc/68/71/21/656687121.db2.gz IFNYXPSUBBCQPL-GJZGRUSLSA-N 0 3 319.474 3.131 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc2c1ccn2C ZINC001049789131 656687533 /nfs/dbraw/zinc/68/75/33/656687533.db2.gz WDJSDFNGIPUAII-MOPGFXCFSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2nccc3ccsc32)CC1 ZINC000981376586 656688948 /nfs/dbraw/zinc/68/89/48/656688948.db2.gz ZSMOVNQXAQDQHL-UHFFFAOYSA-N 0 3 315.442 3.020 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCCC(C)(C)C1 ZINC001049849373 656698221 /nfs/dbraw/zinc/69/82/21/656698221.db2.gz 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657096440 /nfs/dbraw/zinc/09/64/40/657096440.db2.gz FCSFZUKLVCNKFN-KDURUIRLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C1CCC(C(=O)NC2(C3CCN(CC#CC)CC3)CC2)CC1 ZINC001000254443 657106836 /nfs/dbraw/zinc/10/68/36/657106836.db2.gz WZIOVQSHSRQMHA-UHFFFAOYSA-N 0 3 314.473 3.117 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)c3csc(C)c3)CC2)CC1 ZINC001000291966 657109061 /nfs/dbraw/zinc/10/90/61/657109061.db2.gz NRNKRAWSLPIOAT-UHFFFAOYSA-N 0 3 316.470 3.054 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1c(C)cccc1C)C2 ZINC001045970855 657110208 /nfs/dbraw/zinc/11/02/08/657110208.db2.gz MGCHDKFPMGXDHM-NRFANRHFSA-N 0 3 324.468 3.255 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)c3cccc(C4CC4)c3)CC2)CC1 ZINC001000342226 657115473 /nfs/dbraw/zinc/11/54/73/657115473.db2.gz ZOGPMZMTPBSVCU-UHFFFAOYSA-N 0 3 322.452 3.172 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC001000339245 657115716 /nfs/dbraw/zinc/11/57/16/657115716.db2.gz YZBDWMOIALWOQN-INIZCTEOSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2occc2-c2ccccc2)C1 ZINC001028676676 657140511 /nfs/dbraw/zinc/14/05/11/657140511.db2.gz OSUOZTMIXWAOTL-INIZCTEOSA-N 0 3 322.408 3.022 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cscc2C(F)F)C1 ZINC001046320159 657146929 /nfs/dbraw/zinc/14/69/29/657146929.db2.gz PRAZDOFNFUXEFE-HNNXBMFYSA-N 0 3 314.401 3.456 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3c2CCCC3)C1 ZINC001046342213 657150558 /nfs/dbraw/zinc/15/05/58/657150558.db2.gz QGDLZQWAIKEOKF-HXUWFJFHSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2coc3c2cccc3C)CC1 ZINC001000784243 657153095 /nfs/dbraw/zinc/15/30/95/657153095.db2.gz JSYCWSSPHIDWJA-UHFFFAOYSA-N 0 3 310.397 3.289 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2occc2-c2ccccc2)CC1 ZINC001000927809 657165862 /nfs/dbraw/zinc/16/58/62/657165862.db2.gz RECSJXQEISHGFU-UHFFFAOYSA-N 0 3 322.408 3.495 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001046481912 657168559 /nfs/dbraw/zinc/16/85/59/657168559.db2.gz DTUSKRAGPPSDMW-KRWDZBQOSA-N 0 3 306.837 3.419 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001046507420 657170672 /nfs/dbraw/zinc/17/06/72/657170672.db2.gz JLAXXPPEWKCPJH-QGZVFWFLSA-N 0 3 322.811 3.005 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc(C)c(Cl)c2F)CC1 ZINC001000983356 657171309 /nfs/dbraw/zinc/17/13/09/657171309.db2.gz AXOVIYOSWWRZMQ-UHFFFAOYSA-N 0 3 322.811 3.335 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001046516343 657171522 /nfs/dbraw/zinc/17/15/22/657171522.db2.gz JESHICDWCGMCMM-HXUWFJFHSA-N 0 3 324.424 3.267 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2nccc3ccccc32)C1 ZINC001046581436 657183089 /nfs/dbraw/zinc/18/30/89/657183089.db2.gz LTLZCHTXVGUKSH-IBGZPJMESA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC001001180639 657194486 /nfs/dbraw/zinc/19/44/86/657194486.db2.gz ZRPGZCJLZDCNTA-UHFFFAOYSA-N 0 3 322.408 3.495 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046662065 657200595 /nfs/dbraw/zinc/20/05/95/657200595.db2.gz CXVIKGSKXGLIPV-LJQANCHMSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001046670256 657201770 /nfs/dbraw/zinc/20/17/70/657201770.db2.gz DYIWTHSCQWPLAY-LJQANCHMSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCCN1CC[C@](C)(NC(=O)c2cc(C(CC)CC)no2)C1 ZINC001046680295 657202958 /nfs/dbraw/zinc/20/29/58/657202958.db2.gz BHNAVXZLXDGMKW-SFHVURJKSA-N 0 3 319.449 3.349 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001001299315 657204597 /nfs/dbraw/zinc/20/45/97/657204597.db2.gz NOSAQWVXAOXHMQ-IYARVYRRSA-N 0 3 304.478 3.383 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001046739683 657209956 /nfs/dbraw/zinc/20/99/56/657209956.db2.gz SQZGEPFCAFJANR-HXUWFJFHSA-N 0 3 323.440 3.002 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001046739463 657209990 /nfs/dbraw/zinc/20/99/90/657209990.db2.gz OHKZLNZFJDHKIR-GOSISDBHSA-N 0 3 304.434 3.482 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cc(CC)c(C)s2)CC1 ZINC001001433507 657220461 /nfs/dbraw/zinc/22/04/61/657220461.db2.gz NZGHCGCVRYITAR-UHFFFAOYSA-N 0 3 304.459 3.167 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2sc(C(C)C)nc2C)CC1 ZINC001001443223 657221569 /nfs/dbraw/zinc/22/15/69/657221569.db2.gz JOZLDSJQTGUSTM-UHFFFAOYSA-N 0 3 319.474 3.123 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cc(F)c3ccccc3c2)CC1 ZINC001001464724 657223268 /nfs/dbraw/zinc/22/32/68/657223268.db2.gz CVHPWUKGXQCGBF-UHFFFAOYSA-N 0 3 324.399 3.054 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001046817411 657228506 /nfs/dbraw/zinc/22/85/06/657228506.db2.gz YVZCAIUAJWONKB-IBGZPJMESA-N 0 3 316.445 3.244 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001046830607 657233395 /nfs/dbraw/zinc/23/33/95/657233395.db2.gz URVPXXBNOOIHDW-HXUWFJFHSA-N 0 3 323.440 3.002 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2oc3ccccc3c2CC)C1 ZINC001046864153 657238976 /nfs/dbraw/zinc/23/89/76/657238976.db2.gz PKEUVTQOQBHSPS-FQEVSTJZSA-N 0 3 324.424 3.213 20 30 DGEDHN C=CCCN1CC[C@@](C)(NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001046869884 657241080 /nfs/dbraw/zinc/24/10/80/657241080.db2.gz FXRGIZIXUJCBBR-QGZVFWFLSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001046873071 657241178 /nfs/dbraw/zinc/24/11/78/657241178.db2.gz POEXYRNTYPRKSD-RJYAGPCLSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2cnc(C(C)C)s2)C1 ZINC001046881983 657242198 /nfs/dbraw/zinc/24/21/98/657242198.db2.gz ARSQGFCYKAYMIT-KRWDZBQOSA-N 0 3 321.490 3.427 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCC=CCCC3)[C@@H]2C1 ZINC001050073111 657245250 /nfs/dbraw/zinc/24/52/50/657245250.db2.gz XKGSRKPDWVMFOT-CEXWTWQISA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001050079112 657245872 /nfs/dbraw/zinc/24/58/72/657245872.db2.gz YUEOGLFMNVGPPB-YSIASYRMSA-N 0 3 324.468 3.215 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2C1 ZINC001050147527 657259556 /nfs/dbraw/zinc/25/95/56/657259556.db2.gz IPVSTSCQIVWUMP-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001050188847 657266402 /nfs/dbraw/zinc/26/64/02/657266402.db2.gz NECQQRFXHZRLOQ-XLAORIBOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001050197056 657268782 /nfs/dbraw/zinc/26/87/82/657268782.db2.gz UBZISHKWFGLSSO-YTQUADARSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C/C=C/Cl)C3)C1 ZINC001047141218 657270464 /nfs/dbraw/zinc/27/04/64/657270464.db2.gz SUZQINNPGJXNDN-OJTLBJGBSA-N 0 3 308.853 3.064 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000983481726 657270860 /nfs/dbraw/zinc/27/08/60/657270860.db2.gz AOFGVZPUSRTUDJ-UHFFFAOYSA-N 0 3 304.434 3.435 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)c3cccc(C)c3)C2)CC1 ZINC001047220960 657281200 /nfs/dbraw/zinc/28/12/00/657281200.db2.gz LKUVXXAKLNYSGV-HXUWFJFHSA-N 0 3 324.468 3.192 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C(C)=C3CCC3)C2)CC1 ZINC001047238310 657284450 /nfs/dbraw/zinc/28/44/50/657284450.db2.gz FBLMUTRENKRQSA-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C3(C(C)C)CC3)C2)CC1 ZINC001047253517 657287288 /nfs/dbraw/zinc/28/72/88/657287288.db2.gz ARBLWZDSETYFOY-GOSISDBHSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001047253620 657287620 /nfs/dbraw/zinc/28/76/20/657287620.db2.gz DRZXBZPJUIELPY-GUDVDZBRSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCN1CCC(C)C ZINC001038427814 657305507 /nfs/dbraw/zinc/30/55/07/657305507.db2.gz MKJFIIIPSKMYOO-MRXNPFEDSA-N 0 3 316.445 3.102 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3ccccc3C(C)C)C2)CC1 ZINC001050539760 657321334 /nfs/dbraw/zinc/32/13/34/657321334.db2.gz UBHAFHMSLSSCAX-UHFFFAOYSA-N 0 3 324.468 3.371 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)c3ccc([C@H](C)CC)cc3)C2)CC1 ZINC001050764801 657358000 /nfs/dbraw/zinc/35/80/00/657358000.db2.gz HQSUIOSPZVXHQN-QGZVFWFLSA-N 0 3 324.468 3.371 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C3C[C@@H](C)C[C@H](C)C3)C2)CC1 ZINC001050768150 657359689 /nfs/dbraw/zinc/35/96/89/657359689.db2.gz OVMVABITRSSTQN-IRXDYDNUSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@@H]3CCCCC3(C)C)C2)CC1 ZINC001050775878 657360369 /nfs/dbraw/zinc/36/03/69/657360369.db2.gz ZIIIURJVFWACBJ-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cn2)C[C@H]1C ZINC000947318175 657377459 /nfs/dbraw/zinc/37/74/59/657377459.db2.gz FHCGWELJEGKCNM-GDBMZVCRSA-N 0 3 315.461 3.148 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@H]3CCC3(C)C)cccc2C1 ZINC001051298309 657383792 /nfs/dbraw/zinc/38/37/92/657383792.db2.gz LCQBQMVOOKXRFE-LJQANCHMSA-N 0 3 324.468 3.120 20 30 DGEDHN C#CCCCCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000160222515 657394593 /nfs/dbraw/zinc/39/45/93/657394593.db2.gz QNCYUPMOKIAGHI-MRXNPFEDSA-N 0 3 321.490 3.234 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968366134 657396143 /nfs/dbraw/zinc/39/61/43/657396143.db2.gz SFVLRQMCRGFZDV-KSSFIOAISA-N 0 3 311.429 3.184 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2)C[C@@H]1C ZINC000947806024 657426274 /nfs/dbraw/zinc/42/62/74/657426274.db2.gz NNEKZWOFAADPGO-XJKSGUPXSA-N 0 3 320.383 3.230 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC000968592013 657435339 /nfs/dbraw/zinc/43/53/39/657435339.db2.gz JHBAQPSMVFHLPA-WCQYABFASA-N 0 3 324.877 3.173 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968599363 657437595 /nfs/dbraw/zinc/43/75/95/657437595.db2.gz VMLHRMUAQLHIHE-QAPCUYQASA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607421 657440799 /nfs/dbraw/zinc/44/07/99/657440799.db2.gz TZQQJRSBOXZITM-MAUKXSAKSA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968614501 657442747 /nfs/dbraw/zinc/44/27/47/657442747.db2.gz LBNIVNWMKLCGGT-PBHICJAKSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968614481 657442921 /nfs/dbraw/zinc/44/29/21/657442921.db2.gz KSENYWZSAGLEJU-AEFFLSMTSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC000968627931 657448292 /nfs/dbraw/zinc/44/82/92/657448292.db2.gz PSYCFLDCJZTEBO-WMZOPIPTSA-N 0 3 314.473 3.367 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC000968670414 657453576 /nfs/dbraw/zinc/45/35/76/657453576.db2.gz XOQGUQBKWDKLIP-SDDULXJBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC000968697456 657463888 /nfs/dbraw/zinc/46/38/88/657463888.db2.gz FSBWMCSYTDPSLH-OCCSQVGLSA-N 0 3 319.474 3.037 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000968706833 657465151 /nfs/dbraw/zinc/46/51/51/657465151.db2.gz VTIMJUXQTNKAJF-CABCVRRESA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000968758069 657482068 /nfs/dbraw/zinc/48/20/68/657482068.db2.gz HWNKVALRNBLBLV-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000968758069 657482072 /nfs/dbraw/zinc/48/20/72/657482072.db2.gz HWNKVALRNBLBLV-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968795015 657488670 /nfs/dbraw/zinc/48/86/70/657488670.db2.gz BSGXDJDVMSLGJB-CYBMUJFWSA-N 0 3 312.866 3.217 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC000968856101 657502563 /nfs/dbraw/zinc/50/25/63/657502563.db2.gz DVQDGTJTWIMUFG-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC000968876925 657508388 /nfs/dbraw/zinc/50/83/88/657508388.db2.gz KGOCHXIOQMSJNZ-MRXNPFEDSA-N 0 3 318.486 3.363 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000968893939 657511451 /nfs/dbraw/zinc/51/14/51/657511451.db2.gz VFUQNZUIRSEBJN-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC000968901740 657512130 /nfs/dbraw/zinc/51/21/30/657512130.db2.gz 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/nfs/dbraw/zinc/61/41/38/657614138.db2.gz UEEOVHFVTVGXKU-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007843807 657639320 /nfs/dbraw/zinc/63/93/20/657639320.db2.gz HCLPZWLYURXFTC-AWEZNQCLSA-N 0 3 306.475 3.471 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001008414381 657693791 /nfs/dbraw/zinc/69/37/91/657693791.db2.gz YYSSVSKXZODGMT-OAHLLOKOSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(Cc3ccccc3C)C2)C1 ZINC001008462539 657698102 /nfs/dbraw/zinc/69/81/02/657698102.db2.gz DHCJQKOBOMXLLD-SFHVURJKSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001008687907 657721813 /nfs/dbraw/zinc/72/18/13/657721813.db2.gz IFWGHGABTKBNRK-AEFFLSMTSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001008808981 657731643 /nfs/dbraw/zinc/73/16/43/657731643.db2.gz XEXWIAIIQYUYRI-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001008897335 657738479 /nfs/dbraw/zinc/73/84/79/657738479.db2.gz YFEHCIUIGDJKJH-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001008988121 657742600 /nfs/dbraw/zinc/74/26/00/657742600.db2.gz PNWHHTDPXYWUAL-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001009168775 657754050 /nfs/dbraw/zinc/75/40/50/657754050.db2.gz PXPDHRDALFMZTF-CYBMUJFWSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC000960277497 657771211 /nfs/dbraw/zinc/77/12/11/657771211.db2.gz DLAONPMBWPAYNY-JHKNVXAYSA-N 0 3 310.441 3.125 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C)c(F)c1 ZINC000960279906 657771245 /nfs/dbraw/zinc/77/12/45/657771245.db2.gz GOAJBCRGEKLFQI-RTBURBONSA-N 0 3 324.399 3.306 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1[nH]c(C)cc1C ZINC000960278661 657771611 /nfs/dbraw/zinc/77/16/11/657771611.db2.gz ODYHHCFHPLVEEO-IEBWSBKVSA-N 0 3 323.440 3.193 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(C)oc(C)c1C ZINC000960279329 657772128 /nfs/dbraw/zinc/77/21/28/657772128.db2.gz FFNDVRYJNOXDPL-IEBWSBKVSA-N 0 3 324.424 3.376 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]1(C)C=CCC1 ZINC000960290298 657772849 /nfs/dbraw/zinc/77/28/49/657772849.db2.gz DLUIVTOSHOMHEC-GGPKGHCWSA-N 0 3 310.441 3.291 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000960315179 657777052 /nfs/dbraw/zinc/77/70/52/657777052.db2.gz OPYNBCKXCWBEOX-NXWXRZEISA-N 0 3 312.457 3.226 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C3CCCC3)no2)C1 ZINC001009579532 657796122 /nfs/dbraw/zinc/79/61/22/657796122.db2.gz OPJSNXPJBWAQKX-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001009690061 657809216 /nfs/dbraw/zinc/80/92/16/657809216.db2.gz JQEAXUYMROBBTA-PKOBYXMFSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001009750193 657815194 /nfs/dbraw/zinc/81/51/94/657815194.db2.gz QFPWXZIBZABTMJ-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H]2CN(C)Cc2ccccc2)C1 ZINC000960845280 657895695 /nfs/dbraw/zinc/89/56/95/657895695.db2.gz DATORSSHGXAPKO-SFHVURJKSA-N 0 3 312.457 3.466 20 30 DGEDHN C=C1CCC(C(=O)N2CCC[C@@H]([C@H]3CCN(CCF)C3)C2)CC1 ZINC000961224023 657980920 /nfs/dbraw/zinc/98/09/20/657980920.db2.gz WYYMNVSIGFEBOS-MSOLQXFVSA-N 0 3 322.468 3.263 20 30 DGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(Cl)sc2Cl)C1 ZINC001014729989 658045347 /nfs/dbraw/zinc/04/53/47/658045347.db2.gz VHYWKLSRCKPBTA-SECBINFHSA-N 0 3 319.257 3.435 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CCCC)cc2)C1 ZINC001015181729 658097156 /nfs/dbraw/zinc/09/71/56/658097156.db2.gz YVZDFWARBZNHTO-GOSISDBHSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001015659579 658158542 /nfs/dbraw/zinc/15/85/42/658158542.db2.gz DPZQAXOFHZTJGQ-IBGZPJMESA-N 0 3 312.457 3.432 20 30 DGEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000127550401 658160391 /nfs/dbraw/zinc/16/03/91/658160391.db2.gz MEBRVMHVBLIJPM-CYBMUJFWSA-N 0 3 313.382 3.030 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cc(C)cc(C)c3)C2)C1 ZINC001015671977 658161542 /nfs/dbraw/zinc/16/15/42/658161542.db2.gz JFDCWELXMDKPII-SFHVURJKSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963249172 658169403 /nfs/dbraw/zinc/16/94/03/658169403.db2.gz VDPULNOMQUHMDR-CVEARBPZSA-N 0 3 310.869 3.242 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000963264996 658177481 /nfs/dbraw/zinc/17/74/81/658177481.db2.gz QJQNWCAONYWBFT-GOEBONIOSA-N 0 3 321.852 3.084 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc(C(CC)CC)no2)C1 ZINC001015807425 658189697 /nfs/dbraw/zinc/18/96/97/658189697.db2.gz ALOKYHABFGREGV-OAHLLOKOSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963389761 658209941 /nfs/dbraw/zinc/20/99/41/658209941.db2.gz GIEMGPNAXNEUMV-CABCVRRESA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccc(C)s1)C2 ZINC000963495021 658220807 /nfs/dbraw/zinc/22/08/07/658220807.db2.gz BQEHMZVYUSNGDO-UHFFFAOYSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccsc1)C2 ZINC000963525519 658223414 /nfs/dbraw/zinc/22/34/14/658223414.db2.gz MOJINHRAAASWMB-UHFFFAOYSA-N 0 3 310.850 3.131 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CC=CCC1)C2 ZINC000963550792 658226237 /nfs/dbraw/zinc/22/62/37/658226237.db2.gz SZPAPUSLJATCBW-HOUHCIJLSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001016175794 658249189 /nfs/dbraw/zinc/24/91/89/658249189.db2.gz YCSBQOIRCRUWLX-CQSZACIVSA-N 0 3 304.459 3.007 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001016250865 658261503 /nfs/dbraw/zinc/26/15/03/658261503.db2.gz RLKMTPGSGDJLTD-MRXNPFEDSA-N 0 3 309.413 3.062 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001016367339 658273834 /nfs/dbraw/zinc/27/38/34/658273834.db2.gz NTKZNUDCZBZFMB-PKOBYXMFSA-N 0 3 312.457 3.263 20 30 DGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CC(C)(C)C ZINC000988080784 658298776 /nfs/dbraw/zinc/29/87/76/658298776.db2.gz QISQJUUFDCDCCX-STQMWFEESA-N 0 3 319.474 3.135 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001016664974 658314357 /nfs/dbraw/zinc/31/43/57/658314357.db2.gz TYPJPMPRDXOHBW-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CC23CCN(C[C@@H](F)CC)CC3)CC1 ZINC001016807348 658333531 /nfs/dbraw/zinc/33/35/31/658333531.db2.gz FVXYKJOXSHBJGA-IRXDYDNUSA-N 0 3 322.468 3.452 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001016860064 658344110 /nfs/dbraw/zinc/34/41/10/658344110.db2.gz OKGNIIYWWROSKB-PKOBYXMFSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001016912541 658350803 /nfs/dbraw/zinc/35/08/03/658350803.db2.gz DBDDUOGRLBARRM-SFHVURJKSA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001016939680 658354313 /nfs/dbraw/zinc/35/43/13/658354313.db2.gz ZRMVOTDMVPAPJH-BZSNNMDCSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001016990059 658365775 /nfs/dbraw/zinc/36/57/75/658365775.db2.gz IHNKKZGQPFHILH-SJORKVTESA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001017001904 658369243 /nfs/dbraw/zinc/36/92/43/658369243.db2.gz IXVCJURTNLFJJP-OAHLLOKOSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cccc(C)c3s2)C1 ZINC000989061046 658430371 /nfs/dbraw/zinc/43/03/71/658430371.db2.gz CUEXURLWTAQMOD-UKRRQHHQSA-N 0 3 312.438 3.036 20 30 DGEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965995991 658440000 /nfs/dbraw/zinc/44/00/00/658440000.db2.gz MXHBNHTVEIRWLQ-OCCSQVGLSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001017688513 658450766 /nfs/dbraw/zinc/45/07/66/658450766.db2.gz YWDDKEZMINOTFV-WKULXVSPSA-N 0 3 302.462 3.064 20 30 DGEDHN 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C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001015788585 659904709 /nfs/dbraw/zinc/90/47/09/659904709.db2.gz PEQOGTCRFJNNGH-OAHLLOKOSA-N 0 3 314.454 3.210 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)CCO2 ZINC000180550369 659965207 /nfs/dbraw/zinc/96/52/07/659965207.db2.gz MAPWRRBYFIINLE-AWEZNQCLSA-N 0 3 308.381 3.375 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000130884411 659987472 /nfs/dbraw/zinc/98/74/72/659987472.db2.gz OHBLVUGNBODWNO-MRXNPFEDSA-N 0 3 314.429 3.150 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000940760814 660063032 /nfs/dbraw/zinc/06/30/32/660063032.db2.gz UZUQPXUZIIIXCQ-MSOLQXFVSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3cccnc32)C(C)(C)C1 ZINC000940870363 660069809 /nfs/dbraw/zinc/06/98/09/660069809.db2.gz MKKLTHDVMMUMGT-QGZVFWFLSA-N 0 3 323.440 3.251 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000940912921 660072488 /nfs/dbraw/zinc/07/24/88/660072488.db2.gz 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3.103 20 30 DGEDHN C[C@@H]1CN(Cc2cncc(C#N)c2)[C@H](C)CN1Cc1ccccc1 ZINC000930147294 661370679 /nfs/dbraw/zinc/37/06/79/661370679.db2.gz BVVYNTVUXKKNFG-IAGOWNOFSA-N 0 3 320.440 3.048 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNC(C)(C)C(=O)NCC(C)(C)C ZINC000930150477 661371500 /nfs/dbraw/zinc/37/15/00/661371500.db2.gz KLQATOVWQDNAKT-UHFFFAOYSA-N 0 3 315.461 3.206 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)C(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000930213740 661378516 /nfs/dbraw/zinc/37/85/16/661378516.db2.gz OTCUSYBHXGDBAX-BXKDBHETSA-N 0 3 322.277 3.157 20 30 DGEDHN CC(C)[C@@H](NC[C@H](O)CC#N)c1ccc(C(F)(F)F)cc1 ZINC000930232589 661380546 /nfs/dbraw/zinc/38/05/46/661380546.db2.gz FVFGYOMCFNRFIY-ZIAGYGMSSA-N 0 3 300.324 3.267 20 30 DGEDHN CC(=O)NCCN(Cc1ccsc1)CC1CCC(C#N)CC1 ZINC000930343108 661390915 /nfs/dbraw/zinc/39/09/15/661390915.db2.gz OFWQJJFYTSYCAD-UHFFFAOYSA-N 0 3 319.474 3.016 20 30 DGEDHN COCCN(CCCCC1(C#N)CCC1)Cc1ccccn1 ZINC000930484433 661403338 /nfs/dbraw/zinc/40/33/38/661403338.db2.gz GYPYKPFPVITMSL-UHFFFAOYSA-N 0 3 301.434 3.394 20 30 DGEDHN N#CCCC[C@H](NCc1[nH]nc2c1COCC2)c1ccccc1 ZINC000930571807 661411803 /nfs/dbraw/zinc/41/18/03/661411803.db2.gz YMKMSOROHFSYBX-INIZCTEOSA-N 0 3 310.401 3.007 20 30 DGEDHN N#Cc1cncc(CN(Cc2ccccc2)C2(CO)CCCC2)c1 ZINC000930615164 661415614 /nfs/dbraw/zinc/41/56/14/661415614.db2.gz SUABIDWYFODQHI-UHFFFAOYSA-N 0 3 321.424 3.261 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(CN(C)CCCC#N)cc2)C[C@H](C)O1 ZINC000930857129 661434984 /nfs/dbraw/zinc/43/49/84/661434984.db2.gz AVSTZLDVJGTELR-CALCHBBNSA-N 0 3 315.461 3.031 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000930980296 661443122 /nfs/dbraw/zinc/44/31/22/661443122.db2.gz WGSACTIBMACZBE-INIZCTEOSA-N 0 3 313.445 3.051 20 30 DGEDHN COc1nc(C)cc(C)c1CN(C)CC1CCC(C#N)CC1 ZINC000931104308 661452357 /nfs/dbraw/zinc/45/23/57/661452357.db2.gz PLAFAGDYUPPEEM-UHFFFAOYSA-N 0 3 301.434 3.469 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000931290870 661464569 /nfs/dbraw/zinc/46/45/69/661464569.db2.gz RREXCUKJBXNZQY-MRXNPFEDSA-N 0 3 301.434 3.363 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CN(CCC(C)(C)C#N)CC1(C)C ZINC000931991410 661527531 /nfs/dbraw/zinc/52/75/31/661527531.db2.gz ILUNSRBDSJMORO-CYBMUJFWSA-N 0 3 309.454 3.161 20 30 DGEDHN Cc1nc(CC2CCN(Cc3ccc(C#N)c(C)c3)CC2)no1 ZINC000932245563 661552594 /nfs/dbraw/zinc/55/25/94/661552594.db2.gz ULEKTOBBOHIMIZ-UHFFFAOYSA-N 0 3 310.401 3.013 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933084759 661617102 /nfs/dbraw/zinc/61/71/02/661617102.db2.gz WKUFJSTWNDVTCE-SFHVURJKSA-N 0 3 301.405 3.316 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 ZINC000933300465 661628538 /nfs/dbraw/zinc/62/85/38/661628538.db2.gz FPTPQRGFZNVLIW-GFCCVEGCSA-N 0 3 315.804 3.074 20 30 DGEDHN C#Cc1ccc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)c(Cl)c1 ZINC000933359902 661630236 /nfs/dbraw/zinc/63/02/36/661630236.db2.gz PUXAFBJXACPYDP-ZDUSSCGKSA-N 0 3 319.836 3.316 20 30 DGEDHN N#Cc1ccc(C2CCN(CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000933608431 661644462 /nfs/dbraw/zinc/64/44/62/661644462.db2.gz ZTMIEWGBTHDCRG-INIZCTEOSA-N 0 3 306.356 3.162 20 30 DGEDHN O=C1C=COC2(CCN(CCc3ccc(Cl)cc3)CC2)C1 ZINC000933645989 661647699 /nfs/dbraw/zinc/64/76/99/661647699.db2.gz AHNYRHKOFRYDPD-UHFFFAOYSA-N 0 3 305.805 3.220 20 30 DGEDHN Cc1cc(C)cc(OCCN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933654305 661648695 /nfs/dbraw/zinc/64/86/95/661648695.db2.gz RLVFKENGLCNZNZ-UHFFFAOYSA-N 0 3 315.413 3.020 20 30 DGEDHN CCCCC1(NCC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000934205430 661687921 /nfs/dbraw/zinc/68/79/21/661687921.db2.gz GIMCBEXNSKXEBT-UHFFFAOYSA-N 0 3 305.447 3.488 20 30 DGEDHN C=CC[C@@H]1CCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000934470673 661709147 /nfs/dbraw/zinc/70/91/47/661709147.db2.gz POSXBUOSFFDTMG-QGZVFWFLSA-N 0 3 310.397 3.360 20 30 DGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000934648686 661722507 /nfs/dbraw/zinc/72/25/07/661722507.db2.gz VCKHMYLWJIQMPM-CQSZACIVSA-N 0 3 320.433 3.319 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2CC1(CC#N)CC1 ZINC000934661348 661723110 /nfs/dbraw/zinc/72/31/10/661723110.db2.gz PVZVZCKAPPNBGY-KDOFPFPSSA-N 0 3 319.449 3.059 20 30 DGEDHN C=C(C)c1cccc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000934880279 661743848 /nfs/dbraw/zinc/74/38/48/661743848.db2.gz NUPYLSXPYXNPGN-HZPDHXFCSA-N 0 3 319.474 3.229 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(CCC)s2)C[C@H]1C ZINC000947356631 661904420 /nfs/dbraw/zinc/90/44/20/661904420.db2.gz OJLVFWWWKFHSHI-CABCVRRESA-N 0 3 318.486 3.307 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C[C@@H]1C ZINC000947523961 661914284 /nfs/dbraw/zinc/91/42/84/661914284.db2.gz LWFCLJHVKHDMRF-GOEBONIOSA-N 0 3 323.440 3.082 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C[C@H]1C ZINC000947662920 661922563 /nfs/dbraw/zinc/92/25/63/661922563.db2.gz MQARUQQMAOVKNJ-CRAIPNDOSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C[C@H]1C ZINC000947693722 661925321 /nfs/dbraw/zinc/92/53/21/661925321.db2.gz QVOIDLWOYSQKLP-CHWSQXEVSA-N 0 3 308.372 3.042 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3occc3s2)C[C@H]1C ZINC000947719537 661926601 /nfs/dbraw/zinc/92/66/01/661926601.db2.gz OUTYXJMMPCVOPW-CHWSQXEVSA-N 0 3 316.426 3.100 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C[C@H]1C ZINC000947745069 661928575 /nfs/dbraw/zinc/92/85/75/661928575.db2.gz BVORNSPGTTVCGY-MLGOLLRUSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C[C@H]1C ZINC000947783182 661931578 /nfs/dbraw/zinc/93/15/78/661931578.db2.gz MWYJDLXERFQGTJ-OCCSQVGLSA-N 0 3 322.836 3.117 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C[C@@H]1C ZINC000947846458 661934675 /nfs/dbraw/zinc/93/46/75/661934675.db2.gz ZWUHGDMCCPSYHY-MAUKXSAKSA-N 0 3 323.440 3.312 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C[C@@H]1C ZINC000947879384 661935821 /nfs/dbraw/zinc/93/58/21/661935821.db2.gz ZQOMBHVEZPEUBE-GOEBONIOSA-N 0 3 323.440 3.001 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CCC2)C[C@@H]1C ZINC000947975686 661941494 /nfs/dbraw/zinc/94/14/94/661941494.db2.gz PRFZIJBFMFDGPZ-ROUUACIJSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3cnccc32)C[C@H]1C ZINC000948053610 661946321 /nfs/dbraw/zinc/94/63/21/661946321.db2.gz TUVMDMGWAYMEQW-GDBMZVCRSA-N 0 3 309.413 3.004 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CC)c(CC)c2)C[C@@H]1C ZINC000948098577 661951120 /nfs/dbraw/zinc/95/11/20/661951120.db2.gz CCHYLNKCJLJERA-KXBFYZLASA-N 0 3 312.457 3.027 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000948373323 661971702 /nfs/dbraw/zinc/97/17/02/661971702.db2.gz MMOYXAWPDFOVJB-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000948385389 661972292 /nfs/dbraw/zinc/97/22/92/661972292.db2.gz MFWYSHUHEIJLNW-GVDBMIGSSA-N 0 3 304.478 3.005 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cccc(C)c2F)CC1 ZINC000948396783 661972525 /nfs/dbraw/zinc/97/25/25/661972525.db2.gz GCEAIJJYVWZZGZ-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc3occc3c2)CC1 ZINC000948397279 661973086 /nfs/dbraw/zinc/97/30/86/661973086.db2.gz OSOHZSQITGFLBE-SFHVURJKSA-N 0 3 324.424 3.383 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000948547065 661982160 /nfs/dbraw/zinc/98/21/60/661982160.db2.gz PUCXUJLVNAJFBG-UYAOXDASSA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C)sc2C)CC1 ZINC000948595151 661985352 /nfs/dbraw/zinc/98/53/52/661985352.db2.gz SCDCWFZFGQDBRD-INIZCTEOSA-N 0 3 318.486 3.315 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccccc2C)CC1 ZINC001006433758 661987646 /nfs/dbraw/zinc/98/76/46/661987646.db2.gz FUALNYYSDRWZOK-MRXNPFEDSA-N 0 3 300.446 3.207 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(F)ccc2C)CC1 ZINC000948656094 661988940 /nfs/dbraw/zinc/98/89/40/661988940.db2.gz UGMOXACMAGWRNJ-KRWDZBQOSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000948692132 661991303 /nfs/dbraw/zinc/99/13/03/661991303.db2.gz AEYZYTAEZYFXNM-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c(C)cccc2C)CC1 ZINC000948799977 661998873 /nfs/dbraw/zinc/99/88/73/661998873.db2.gz BUNDEGQRLHYYOL-GOSISDBHSA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(F)ccc2Cl)CC1 ZINC000948805224 661999139 /nfs/dbraw/zinc/99/91/39/661999139.db2.gz XLSNPRNZVKESBI-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000948804120 661999437 /nfs/dbraw/zinc/99/94/37/661999437.db2.gz CTSMSWSJLLTKNF-INDMIFKZSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC000948840355 662002241 /nfs/dbraw/zinc/00/22/41/662002241.db2.gz GPKSUGAIAHQAGK-FQEVSTJZSA-N 0 3 322.452 3.206 20 30 DGEDHN C=C1CCC(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000950046822 662043024 /nfs/dbraw/zinc/04/30/24/662043024.db2.gz KVXFEIBBLYXDRQ-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2)CC1 ZINC000948599541 685332055 /nfs/dbraw/zinc/33/20/55/685332055.db2.gz SXKQVJPQNCOMLI-QGZVFWFLSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(OC)c2C)CC1 ZINC001006056617 685365626 /nfs/dbraw/zinc/36/56/26/685365626.db2.gz ILIIQRBJWPCJLZ-UHFFFAOYSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001028197865 685379328 /nfs/dbraw/zinc/37/93/28/685379328.db2.gz SVKWINOCUVMFRU-IBGZPJMESA-N 0 3 310.441 3.416 20 30 DGEDHN C#C[C@@H](NCc1cc(Br)c(OC)s1)C(C)C ZINC000381356479 685156545 /nfs/dbraw/zinc/15/65/45/685156545.db2.gz DGXLBDZUABOLAN-LLVKDONJSA-N 0 3 302.237 3.267 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(Cl)c2C)CC[C@H]1C ZINC001071525937 686678990 /nfs/dbraw/zinc/67/89/90/686678990.db2.gz PQXLTZSLEIQSII-UKRRQHHQSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(Cl)c2C)CC[C@@H]1C ZINC001071525938 686679150 /nfs/dbraw/zinc/67/91/50/686679150.db2.gz PQXLTZSLEIQSII-ZFWWWQNUSA-N 0 3 318.848 3.254 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2scnc2CC)CC[C@H]1C ZINC001071551826 686687237 /nfs/dbraw/zinc/68/72/37/686687237.db2.gz FEJNQNJTVAVWEM-ZIAGYGMSSA-N 0 3 321.490 3.254 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2coc3c2cccc3C)CC[C@@H]1C ZINC001071572524 686691712 /nfs/dbraw/zinc/69/17/12/686691712.db2.gz XARYUGGCQDRTDO-HOTGVXAUSA-N 0 3 324.424 3.347 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccc(CC)c2)CC[C@H]1C ZINC001071622606 686706094 /nfs/dbraw/zinc/70/60/94/686706094.db2.gz MDWYWJALPOPHHM-APWZRJJASA-N 0 3 314.473 3.337 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cccc(CC)c2)CC[C@@H]1C ZINC001071622610 686706191 /nfs/dbraw/zinc/70/61/91/686706191.db2.gz MDWYWJALPOPHHM-QFBILLFUSA-N 0 3 314.473 3.337 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccnc2C2CC2)CC[C@H]1C ZINC001071649743 686712420 /nfs/dbraw/zinc/71/24/20/686712420.db2.gz ZQAMZEBBYFHIEW-GDBMZVCRSA-N 0 3 313.445 3.118 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@@H]1C ZINC001071662639 686715627 /nfs/dbraw/zinc/71/56/27/686715627.db2.gz FGMXLDHFPAMQFD-DOTOQJQBSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(F)c2)CC[C@@H]1C ZINC001071665048 686716869 /nfs/dbraw/zinc/71/68/69/686716869.db2.gz AQCPJEJPQAHVJJ-GOEBONIOSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)onc2C2CC2)CC[C@H]1C ZINC001071695991 686726027 /nfs/dbraw/zinc/72/60/27/686726027.db2.gz VIIPRUZEFUHMJQ-DOMZBBRYSA-N 0 3 317.433 3.019 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)ccc2C2CC2)CC[C@H]1C ZINC001071701343 686726937 /nfs/dbraw/zinc/72/69/37/686726937.db2.gz HDPWLYWFXWUEGV-AEFFLSMTSA-N 0 3 324.468 3.478 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(CC=C(C)C)C2)cc1 ZINC001071732410 686735957 /nfs/dbraw/zinc/73/59/57/686735957.db2.gz UNCMWARFBIMFFS-VQIMIIECSA-N 0 3 310.441 3.217 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(CCC)cc2)CC[C@@H]1C ZINC001071778980 686749727 /nfs/dbraw/zinc/74/97/27/686749727.db2.gz CHYTWWRJHMTLIH-LPHOPBHVSA-N 0 3 312.457 3.245 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(Cl)c2)CC[C@H]1C ZINC001071791809 686754234 /nfs/dbraw/zinc/75/42/34/686754234.db2.gz ASRHGGGLYZVCKL-CJNGLKHVSA-N 0 3 306.837 3.038 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cccc2C)CC[C@H]1C ZINC001071845264 686769288 /nfs/dbraw/zinc/76/92/88/686769288.db2.gz ZJUHULKMMRCHQS-IAGOWNOFSA-N 0 3 300.446 3.462 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2)CC[C@H]1C ZINC001071844834 686769995 /nfs/dbraw/zinc/76/99/95/686769995.db2.gz TVBZDBBYLTWYMH-WBMJQRKESA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2csc(Cl)c2)CC[C@H]1C ZINC001071868402 686776760 /nfs/dbraw/zinc/77/67/60/686776760.db2.gz JEDNWZXJDLJALF-YPMHNXCESA-N 0 3 310.850 3.008 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2coc3ccccc23)CC[C@@H]1C ZINC001071934293 686792922 /nfs/dbraw/zinc/79/29/22/686792922.db2.gz JQDJPHIBFGQUPT-HOCLYGCPSA-N 0 3 312.413 3.130 20 30 DGEDHN C=CCN1C[C@H](NC(=O)c2cccc3ccncc32)CC[C@H]1C ZINC001071957603 686796435 /nfs/dbraw/zinc/79/64/35/686796435.db2.gz KXLVFPZPBQBADW-GDBMZVCRSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2OC)CC[C@H]1C ZINC001072002001 686811441 /nfs/dbraw/zinc/81/14/41/686811441.db2.gz IGRJPUMDUYEZSD-HZPDHXFCSA-N 0 3 316.445 3.162 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)CC[C@H]1C ZINC001072003578 686811891 /nfs/dbraw/zinc/81/18/91/686811891.db2.gz VXKNFNYSECGVOM-UZLBHIALSA-N 0 3 322.452 3.252 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC[C@@H]1C ZINC001072009461 686814977 /nfs/dbraw/zinc/81/49/77/686814977.db2.gz WTKOCRMUBCXJMT-XLAORIBOSA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(CC)cc2)CC[C@H]1C ZINC001072040351 686837784 /nfs/dbraw/zinc/83/77/84/686837784.db2.gz KAOZHZPEECFXTA-CRAIPNDOSA-N 0 3 300.446 3.408 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@H]1C ZINC001072039780 686838347 /nfs/dbraw/zinc/83/83/47/686838347.db2.gz CQSLRTTVIXBAPQ-TZMCWYRMSA-N 0 3 308.372 3.124 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)CC[C@H]1C ZINC001072088215 686860017 /nfs/dbraw/zinc/86/00/17/686860017.db2.gz IEPGYYDVKOUZIF-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)CC[C@@H]1C ZINC001072098979 686865116 /nfs/dbraw/zinc/86/51/16/686865116.db2.gz JTNJSXVVUHJMFK-HKUYNNGSSA-N 0 3 324.468 3.019 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(CF)cc2)CC[C@H]1C ZINC001072106227 686869204 /nfs/dbraw/zinc/86/92/04/686869204.db2.gz PHTMUPJJJAWWRI-RHSMWYFYSA-N 0 3 304.409 3.315 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)c3c2CCC3)CC[C@H]1C ZINC001072105518 686869711 /nfs/dbraw/zinc/86/97/11/686869711.db2.gz JARIIAJYEZDJCZ-SJORKVTESA-N 0 3 324.468 3.090 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(C3CC3)c2)CC[C@H]1C ZINC001072109591 686870097 /nfs/dbraw/zinc/87/00/97/686870097.db2.gz JRUPJDASSLIJNY-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cnc(C(C)C)s2)CC[C@@H]1C ZINC001072127629 686878308 /nfs/dbraw/zinc/87/83/08/686878308.db2.gz WAYBGLQIGYDPKO-KBPBESRZSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(CC(C)C)s3)C2)C1 ZINC001072819934 686965417 /nfs/dbraw/zinc/96/54/17/686965417.db2.gz LCTWNJFCUBHZRJ-UHFFFAOYSA-N 0 3 318.486 3.281 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3CC(C)C)C2)C1 ZINC001073473729 687202052 /nfs/dbraw/zinc/20/20/52/687202052.db2.gz JXGIHGDCBZFFIV-UHFFFAOYSA-N 0 3 312.457 3.219 20 30 DGEDHN Cc1cc(CN(C)C[C@H]2CCCCN2C(=O)[C@H](C)C#N)cs1 ZINC001073973726 687244553 /nfs/dbraw/zinc/24/45/53/687244553.db2.gz GCVQJTHWNLQKGJ-CZUORRHYSA-N 0 3 319.474 3.029 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c(C)oc4ccccc43)[C@@H]2C1 ZINC001075829859 687448608 /nfs/dbraw/zinc/44/86/08/687448608.db2.gz QTXLMLUSKADUHB-DOTOQJQBSA-N 0 3 324.424 3.464 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCc4ccccc43)[C@@H]2C1 ZINC001076617161 687544308 /nfs/dbraw/zinc/54/43/08/687544308.db2.gz OBAXJZOCYHIKIA-DFQSSKMNSA-N 0 3 324.468 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)c(C)o2)C12CCC2 ZINC001078598641 687687473 /nfs/dbraw/zinc/68/74/73/687687473.db2.gz HUUOQWAUVUGWJF-GJZGRUSLSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2c(C)coc2C)C12CCC2 ZINC001078616923 687689995 /nfs/dbraw/zinc/68/99/95/687689995.db2.gz DGDJVAXKDFYIFE-ZIAGYGMSSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CC(C)(C)C2)C12CCC2 ZINC001078617241 687690057 /nfs/dbraw/zinc/69/00/57/687690057.db2.gz JGLWQBFJUMSOMC-KGLIPLIRSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)C12CCC2 ZINC001078703128 687708153 /nfs/dbraw/zinc/70/81/53/687708153.db2.gz KZEMDIRLMJNSKQ-HUUCEWRRSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001079801614 687892068 /nfs/dbraw/zinc/89/20/68/687892068.db2.gz IMGHOKSOBXANOX-CRAIPNDOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001080041177 687914134 /nfs/dbraw/zinc/91/41/34/687914134.db2.gz HOXFPJJRSVGQQD-VQIMIIECSA-N 0 3 314.473 3.365 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCCC)cc2)C1 ZINC001080081125 687919426 /nfs/dbraw/zinc/91/94/26/687919426.db2.gz IQLAYDKYYUVUHA-CRAIPNDOSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001080189623 687928261 /nfs/dbraw/zinc/92/82/61/687928261.db2.gz CDBXDALTTMTWJA-DNVCBOLYSA-N 0 3 312.457 3.499 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001080307661 687950629 /nfs/dbraw/zinc/95/06/29/687950629.db2.gz FQJSAJLBMUILCH-RHSMWYFYSA-N 0 3 303.450 3.004 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001080354587 687957515 /nfs/dbraw/zinc/95/75/15/687957515.db2.gz YMRZQIJLDRRIDZ-CRAIPNDOSA-N 0 3 300.446 3.265 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3occc3s2)C1 ZINC001080433740 687976627 /nfs/dbraw/zinc/97/66/27/687976627.db2.gz OCTXYIKBUCBSEM-VXGBXAGGSA-N 0 3 304.415 3.121 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001080624296 688004349 /nfs/dbraw/zinc/00/43/49/688004349.db2.gz USSKYMKUFUHHOG-IUODEOHRSA-N 0 3 308.372 3.250 20 30 DGEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001080822086 688014626 /nfs/dbraw/zinc/01/46/26/688014626.db2.gz PQOHQNHEQGNELD-TZMCWYRMSA-N 0 3 319.474 3.037 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H]1c1ccccc1 ZINC001081083031 688049692 /nfs/dbraw/zinc/04/96/92/688049692.db2.gz OPEVVOVHRMSJMK-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1c1ccccc1 ZINC001081114674 688054437 /nfs/dbraw/zinc/05/44/37/688054437.db2.gz GJXMFLODAWTUHN-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001577430051 1191901402 /nfs/dbraw/zinc/90/14/02/1191901402.db2.gz KXOCIUQQDDSIIU-TWMKSMIVSA-N 0 3 310.482 3.138 20 30 DGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@@H](N)C2CCCCCC2)cc1 ZINC001578252859 1191934356 /nfs/dbraw/zinc/93/43/56/1191934356.db2.gz SKQBJLJFIBPVIG-MSOLQXFVSA-N 0 3 313.445 3.228 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](N)CCCCC#N ZINC001579643916 1191984035 /nfs/dbraw/zinc/98/40/35/1191984035.db2.gz XBPWRAYECVZFIA-HUUCEWRRSA-N 0 3 317.433 3.129 20 30 DGEDHN N[C@H](CC(F)F)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001580122566 1192008329 /nfs/dbraw/zinc/00/83/29/1192008329.db2.gz WUSWANOQUNZGFG-OAHLLOKOSA-N 0 3 314.335 3.007 20 30 DGEDHN O=C([C@@H]1C[NH2+]CCC12CCC2)N([O-])CCCCc1ccccc1 ZINC001580484958 1192029470 /nfs/dbraw/zinc/02/94/70/1192029470.db2.gz OBVQTWJPEXZFRZ-KRWDZBQOSA-N 0 3 316.445 3.007 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1[nH]c(C)cc1C ZINC001663071734 1196789427 /nfs/dbraw/zinc/78/94/27/1196789427.db2.gz IBMPSLHYHDPPSA-OAHLLOKOSA-N 0 3 323.868 3.358 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001586489668 1192333179 /nfs/dbraw/zinc/33/31/79/1192333179.db2.gz NNQIMKPRXJIYNE-AEFFLSMTSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001586489669 1192333514 /nfs/dbraw/zinc/33/35/14/1192333514.db2.gz NNQIMKPRXJIYNE-FUHWJXTLSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588577618 1192449686 /nfs/dbraw/zinc/44/96/86/1192449686.db2.gz JPASFJAVLONJKN-IRXDYDNUSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588577618 1192449689 /nfs/dbraw/zinc/44/96/89/1192449689.db2.gz JPASFJAVLONJKN-IRXDYDNUSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588561048 1192449694 /nfs/dbraw/zinc/44/96/94/1192449694.db2.gz WWQKPEARKVABKV-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588561048 1192449697 /nfs/dbraw/zinc/44/96/97/1192449697.db2.gz WWQKPEARKVABKV-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588561048 1192449701 /nfs/dbraw/zinc/44/97/01/1192449701.db2.gz WWQKPEARKVABKV-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588561048 1192449713 /nfs/dbraw/zinc/44/97/13/1192449713.db2.gz WWQKPEARKVABKV-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588558675 1192449832 /nfs/dbraw/zinc/44/98/32/1192449832.db2.gz BPLQVCQFHVMOEB-DOTOQJQBSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588558675 1192449834 /nfs/dbraw/zinc/44/98/34/1192449834.db2.gz BPLQVCQFHVMOEB-DOTOQJQBSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588539594 1192450162 /nfs/dbraw/zinc/45/01/62/1192450162.db2.gz QTCORWHFTNDPAU-WDEREUQCSA-N 0 3 305.813 3.210 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588539594 1192450170 /nfs/dbraw/zinc/45/01/70/1192450170.db2.gz QTCORWHFTNDPAU-WDEREUQCSA-N 0 3 305.813 3.210 20 30 DGEDHN C=CCC1(C[NH2+][C@@H](C)c2cc(-c3nnn[n-]3)ccn2)CCCC1 ZINC001588557260 1192450204 /nfs/dbraw/zinc/45/02/04/1192450204.db2.gz IYEPXRXMBGGNCJ-ZDUSSCGKSA-N 0 3 312.421 3.049 20 30 DGEDHN C=CCC1(C[NH2+][C@@H](C)c2cc(-c3nn[n-]n3)ccn2)CCCC1 ZINC001588557260 1192450208 /nfs/dbraw/zinc/45/02/08/1192450208.db2.gz IYEPXRXMBGGNCJ-ZDUSSCGKSA-N 0 3 312.421 3.049 20 30 DGEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588559789 1192450457 /nfs/dbraw/zinc/45/04/57/1192450457.db2.gz LKGBFQYYJKFLAE-AAEUAGOBSA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588559789 1192450458 /nfs/dbraw/zinc/45/04/58/1192450458.db2.gz LKGBFQYYJKFLAE-AAEUAGOBSA-N 0 3 317.824 3.355 20 30 DGEDHN C[N@H+](CCCCC(C)(C)C#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591067271 1192558252 /nfs/dbraw/zinc/55/82/52/1192558252.db2.gz SYRWEMQYBNCDAA-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C[N@@H+](CCCCC(C)(C)C#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591067271 1192558257 /nfs/dbraw/zinc/55/82/57/1192558257.db2.gz SYRWEMQYBNCDAA-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C[N@H+](CCCCC(C)(C)C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591067271 1192558262 /nfs/dbraw/zinc/55/82/62/1192558262.db2.gz SYRWEMQYBNCDAA-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C[N@@H+](CCCCC(C)(C)C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591067271 1192558265 /nfs/dbraw/zinc/55/82/65/1192558265.db2.gz SYRWEMQYBNCDAA-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001690968256 1176047048 /nfs/dbraw/zinc/04/70/48/1176047048.db2.gz RIUQMBPHORLNGR-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1F ZINC001772512836 1176080178 /nfs/dbraw/zinc/08/01/78/1176080178.db2.gz GQNXONIUVFSGFK-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001670475482 1176148343 /nfs/dbraw/zinc/14/83/43/1176148343.db2.gz RZYZNKLOXPLQNP-QGZVFWFLSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001671342933 1176168726 /nfs/dbraw/zinc/16/87/26/1176168726.db2.gz YSHZNMPHQCNDSU-GFCCVEGCSA-N 0 3 305.249 3.242 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001670692936 1176221811 /nfs/dbraw/zinc/22/18/11/1176221811.db2.gz XKXGXLWKTODATN-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001670701558 1176224412 /nfs/dbraw/zinc/22/44/12/1176224412.db2.gz RZAIEKAJRQTYFG-HNNXBMFYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001670730105 1176250715 /nfs/dbraw/zinc/25/07/15/1176250715.db2.gz RWVPMLZYWWFMFQ-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001691053520 1176278701 /nfs/dbraw/zinc/27/87/01/1176278701.db2.gz RPASUNXCBBMTBO-CQSZACIVSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)c(C)c1 ZINC001691066750 1176289926 /nfs/dbraw/zinc/28/99/26/1176289926.db2.gz UNCJZWCWIWFHOS-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001691071149 1176293754 /nfs/dbraw/zinc/29/37/54/1176293754.db2.gz BDVRGFHKZQOXRK-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001691079866 1176298261 /nfs/dbraw/zinc/29/82/61/1176298261.db2.gz QDTDWISSINMUCN-WMZOPIPTSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001691098062 1176308968 /nfs/dbraw/zinc/30/89/68/1176308968.db2.gz YMCFLKFQTSTTQA-RBUKOAKNSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCCC1 ZINC001691108845 1176318845 /nfs/dbraw/zinc/31/88/45/1176318845.db2.gz QGXIFAQRHVQVAH-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001691111875 1176321070 /nfs/dbraw/zinc/32/10/70/1176321070.db2.gz BTCUPZVAZFPHQL-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCCc1ccc(C)cc1 ZINC001691113766 1176322778 /nfs/dbraw/zinc/32/27/78/1176322778.db2.gz WZLRVIKPTYUZCJ-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN CCCN(CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ccc(F)c(F)c1 ZINC001691177860 1176363362 /nfs/dbraw/zinc/36/33/62/1176363362.db2.gz STOHNXLIXXBDCH-OLZOCXBDSA-N 0 3 323.387 3.014 20 30 DGEDHN C=CCCC(=O)NCCN(C1CC1)[C@H]1CCc2c1cccc2F ZINC001691202768 1176388378 /nfs/dbraw/zinc/38/83/78/1176388378.db2.gz CAFZTQXZUYYCFH-SFHVURJKSA-N 0 3 316.420 3.360 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1cccc(F)c1)C1CC1 ZINC001691236577 1176407109 /nfs/dbraw/zinc/40/71/09/1176407109.db2.gz GUFYLAWIVXVOJU-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](CCC)C(C)C)C2)CC1 ZINC001691277369 1176420950 /nfs/dbraw/zinc/42/09/50/1176420950.db2.gz XKCLYFSTZKTZHO-QZTJIDSGSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 ZINC001691773096 1176436230 /nfs/dbraw/zinc/43/62/30/1176436230.db2.gz UPSOVAPRISDOEY-ZGKFYVQTSA-N 0 3 310.397 3.316 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C(C)(F)F ZINC001691350800 1176448979 /nfs/dbraw/zinc/44/89/79/1176448979.db2.gz AAYDNSNAFKHIII-IJLUTSLNSA-N 0 3 308.800 3.047 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C(C)(F)F ZINC001691350801 1176449251 /nfs/dbraw/zinc/44/92/51/1176449251.db2.gz AAYDNSNAFKHIII-QJPTWQEYSA-N 0 3 308.800 3.047 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC(F)F ZINC001691392035 1176464042 /nfs/dbraw/zinc/46/40/42/1176464042.db2.gz INTQWEOZZUHAHV-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001691391890 1176464405 /nfs/dbraw/zinc/46/44/05/1176464405.db2.gz FUDOKIQLGHYFIT-KGLIPLIRSA-N 0 3 322.474 3.258 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1CCc1ccc(C)cc1 ZINC001691391721 1176465043 /nfs/dbraw/zinc/46/50/43/1176465043.db2.gz CFAMSHUQOOCBOE-GOSISDBHSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1C ZINC001691416364 1176475364 /nfs/dbraw/zinc/47/53/64/1176475364.db2.gz ILABGFOJKNFMNR-MJGOQNOKSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CC2CC2)CCCCC1 ZINC001691416497 1176476258 /nfs/dbraw/zinc/47/62/58/1176476258.db2.gz KSCDAZMPJJKNNO-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001670735268 1176496500 /nfs/dbraw/zinc/49/65/00/1176496500.db2.gz XSWAEHHTPPMVTJ-PBHICJAKSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@H]2C1(C)C ZINC001691429143 1176536006 /nfs/dbraw/zinc/53/60/06/1176536006.db2.gz VWSBBDFGMIYZBL-NRIXUVDCSA-N 0 3 314.473 3.137 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001691489528 1176787482 /nfs/dbraw/zinc/78/74/82/1176787482.db2.gz XZOMUVSHAINGOY-NNUKFRKNSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001670789207 1176845120 /nfs/dbraw/zinc/84/51/20/1176845120.db2.gz YAIWRPCCONZWAT-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](F)C1 ZINC001752533844 1176887172 /nfs/dbraw/zinc/88/71/72/1176887172.db2.gz AAGJHIIIZRWKOZ-LUKYLMHMSA-N 0 3 308.441 3.156 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cc(F)ccc1N(C)C[C@H](C)CC ZINC001620990306 1192777779 /nfs/dbraw/zinc/77/77/79/1192777779.db2.gz MJAUNDQCBDEPNU-QAPCUYQASA-N 0 3 320.452 3.172 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1cccs1 ZINC001691820203 1177014648 /nfs/dbraw/zinc/01/46/48/1177014648.db2.gz AVNIDAKHMVIZBK-IYBDPMFKSA-N 0 3 318.486 3.322 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](CC)C(C)(C)C ZINC001755368165 1177018537 /nfs/dbraw/zinc/01/85/37/1177018537.db2.gz OCPSGXNDDWHOHQ-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001670836367 1177218554 /nfs/dbraw/zinc/21/85/54/1177218554.db2.gz DUZVXIJFIHJDTC-UHFFFAOYSA-N 0 3 316.420 3.066 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(Cl)cn1C)C(C)C ZINC001755811666 1177240105 /nfs/dbraw/zinc/24/01/05/1177240105.db2.gz CRQAUTLQAVCPLY-UHFFFAOYSA-N 0 3 311.857 3.037 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2(C=C)CCCCC2)C1 ZINC001752840718 1177291713 /nfs/dbraw/zinc/29/17/13/1177291713.db2.gz LTYYBRDZQNRWPQ-QZTJIDSGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001691630113 1177356283 /nfs/dbraw/zinc/35/62/83/1177356283.db2.gz FRSTYHVACVVMBR-NWDGAFQWSA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CCC ZINC001691817159 1177378247 /nfs/dbraw/zinc/37/82/47/1177378247.db2.gz LMZFPUILABLNMD-UNWHRZBZSA-N 0 3 302.462 3.212 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1c(CC)cc(C)cc1CC ZINC001671403494 1177561809 /nfs/dbraw/zinc/56/18/09/1177561809.db2.gz CVKAFTJURYEXGH-UHFFFAOYSA-N 0 3 315.461 3.196 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001671039406 1177578377 /nfs/dbraw/zinc/57/83/77/1177578377.db2.gz MZQYSXCJNPPWGR-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@@H](C)CC)C2)CC1 ZINC001691689693 1177689369 /nfs/dbraw/zinc/68/93/69/1177689369.db2.gz KBKGEHIQVZWYLH-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN CC[C@@H](C)C(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001691701702 1177845825 /nfs/dbraw/zinc/84/58/25/1177845825.db2.gz QHFWOZBKFIYFIQ-GOSISDBHSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCCNCc2cnoc2C)CC1 ZINC001330911371 1178090724 /nfs/dbraw/zinc/09/07/24/1178090724.db2.gz QJAZUUYZQSYSMX-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001331542942 1178240970 /nfs/dbraw/zinc/24/09/70/1178240970.db2.gz JHNMKBVMZYCOLB-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2ncccc2C)CC1 ZINC001331549473 1178243907 /nfs/dbraw/zinc/24/39/07/1178243907.db2.gz YMFNPLWQNMKXRI-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccccc1-c1ccccc1 ZINC001331630028 1178264508 /nfs/dbraw/zinc/26/45/08/1178264508.db2.gz SQAUHXNMHWMPRO-KRWDZBQOSA-N 0 3 320.436 3.427 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccccc1-c1ccccc1 ZINC001331630031 1178264598 /nfs/dbraw/zinc/26/45/98/1178264598.db2.gz SQAUHXNMHWMPRO-QGZVFWFLSA-N 0 3 320.436 3.427 20 30 DGEDHN CC(C)CCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001331953149 1178318455 /nfs/dbraw/zinc/31/84/55/1178318455.db2.gz FWQIBCPYXFVSCU-HKUYNNGSSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCCCCc2cccs2)C1 ZINC001332033332 1178341509 /nfs/dbraw/zinc/34/15/09/1178341509.db2.gz UNCCTFINSUXLDJ-JKSUJKDBSA-N 0 3 318.486 3.063 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001332089833 1178356590 /nfs/dbraw/zinc/35/65/90/1178356590.db2.gz KVIFTBVEUALPJS-UKRRQHHQSA-N 0 3 318.383 3.408 20 30 DGEDHN Cc1cc(C)c2cc(NC(=O)[C@H](N)CCCCC#N)ccc2n1 ZINC001332134780 1178366883 /nfs/dbraw/zinc/36/68/83/1178366883.db2.gz JBWMNNURTNQVFJ-MRXNPFEDSA-N 0 3 310.401 3.201 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCc2ccc3oc(=O)[nH]c3c2)C1 ZINC001332275596 1178410279 /nfs/dbraw/zinc/41/02/79/1178410279.db2.gz AGROEJJVSWKLIS-UHFFFAOYSA-N 0 3 319.364 3.247 20 30 DGEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cncc(C#N)c1 ZINC001332736714 1178487055 /nfs/dbraw/zinc/48/70/55/1178487055.db2.gz WJDBRSLBZMDQHR-YVEFUNNKSA-N 0 3 315.804 3.472 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)C(C)C ZINC001332740455 1178488926 /nfs/dbraw/zinc/48/89/26/1178488926.db2.gz LVQFYECGNSMMCV-QGZVFWFLSA-N 0 3 318.461 3.117 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C2CCN(CC#CC)CC2)CCCC1 ZINC001332972044 1178531194 /nfs/dbraw/zinc/53/11/94/1178531194.db2.gz ISRRHTKWSXCMPB-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)c2cccs2)CC1 ZINC001332997176 1178536991 /nfs/dbraw/zinc/53/69/91/1178536991.db2.gz IAIAGDNIRSOJNL-CABCVRRESA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001333004908 1178539276 /nfs/dbraw/zinc/53/92/76/1178539276.db2.gz OJLBWUXMALAEGJ-RDJZCZTQSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001333103345 1178555603 /nfs/dbraw/zinc/55/56/03/1178555603.db2.gz WXZJMZXLDOMRCA-UHFFFAOYSA-N 0 3 319.276 3.487 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333120712 1178559405 /nfs/dbraw/zinc/55/94/05/1178559405.db2.gz PNOFHFQASUMJLS-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN CC1(C)CN(CC(F)(F)F)CCN1CC1CCC(C#N)CC1 ZINC001333179628 1178568501 /nfs/dbraw/zinc/56/85/01/1178568501.db2.gz UBROGVLZQGHFPC-UHFFFAOYSA-N 0 3 317.399 3.275 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@]23C[C@@H]2CCCC3)c(F)c1 ZINC001333478936 1178611387 /nfs/dbraw/zinc/61/13/87/1178611387.db2.gz GAFYVAGIAMGSCR-LPHOPBHVSA-N 0 3 316.420 3.298 20 30 DGEDHN COc1ccc(CNCc2ccc(N3CCCC3)cc2)cc1C#N ZINC001333557450 1178626364 /nfs/dbraw/zinc/62/63/64/1178626364.db2.gz RBWDFZDZNVRYGM-UHFFFAOYSA-N 0 3 321.424 3.457 20 30 DGEDHN N#CC[C@@H](O)CN1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001334782410 1178797177 /nfs/dbraw/zinc/79/71/77/1178797177.db2.gz JDLNSVUHYKNOIS-GDBMZVCRSA-N 0 3 314.454 3.430 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1c(C)noc1C ZINC001335843965 1178962892 /nfs/dbraw/zinc/96/28/92/1178962892.db2.gz HWIQWJDMSWFDJK-MRXNPFEDSA-N 0 3 309.454 3.328 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001341464801 1179012787 /nfs/dbraw/zinc/01/27/87/1179012787.db2.gz GFBGFNUEAUBQPG-JKSUJKDBSA-N 0 3 320.864 3.499 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1cnc(C)s1 ZINC001341570187 1179031069 /nfs/dbraw/zinc/03/10/69/1179031069.db2.gz DCSWQTLOFSWGQH-OAHLLOKOSA-N 0 3 311.495 3.488 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC001341613925 1179039468 /nfs/dbraw/zinc/03/94/68/1179039468.db2.gz MBKWOMPVTSCEIP-ROUUACIJSA-N 0 3 315.461 3.100 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1sc(CC)nc1C ZINC001341714228 1179051761 /nfs/dbraw/zinc/05/17/61/1179051761.db2.gz MZKSDEFMOXGSOX-CHWSQXEVSA-N 0 3 309.479 3.217 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1ccc(C(F)F)cc1 ZINC001342167585 1179112937 /nfs/dbraw/zinc/11/29/37/1179112937.db2.gz UREYURBMXNRERP-ZDUSSCGKSA-N 0 3 303.312 3.167 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C(F)(F)F)s1 ZINC001342339262 1179131497 /nfs/dbraw/zinc/13/14/97/1179131497.db2.gz LMCKERMUGXBNEV-JTQLQIEISA-N 0 3 306.353 3.067 20 30 DGEDHN N#CC(C(=O)C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644704 1179165866 /nfs/dbraw/zinc/16/58/66/1179165866.db2.gz YGXFKHGCCNXAQT-WAFBPQNNSA-N 0 3 302.330 3.437 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc2c(o1)CCCC2 ZINC001342717207 1179178166 /nfs/dbraw/zinc/17/81/66/1179178166.db2.gz LKPXGUFBICULKM-CQSZACIVSA-N 0 3 308.337 3.120 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)C[C@@H](C)CC ZINC001342918524 1179209409 /nfs/dbraw/zinc/20/94/09/1179209409.db2.gz LERKDEQYMWLHKY-JKSUJKDBSA-N 0 3 319.497 3.146 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N3CCN(C(C)(C)C)CC3)c2c1 ZINC001343744495 1179326598 /nfs/dbraw/zinc/32/65/98/1179326598.db2.gz YRGBQQAOVMGDKM-UHFFFAOYSA-N 0 3 308.429 3.335 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001344322042 1179411525 /nfs/dbraw/zinc/41/15/25/1179411525.db2.gz GQUIXYLMISKMPX-SKDRFNHKSA-N 0 3 300.189 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCn1ccc2ccccc21 ZINC001344321954 1179413134 /nfs/dbraw/zinc/41/31/34/1179413134.db2.gz FHVQHKCAGULQLK-OAHLLOKOSA-N 0 3 306.369 3.124 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(C(F)F)ccc1F ZINC001344322253 1179413191 /nfs/dbraw/zinc/41/31/91/1179413191.db2.gz KOJLXVMPPFJAFV-LLVKDONJSA-N 0 3 307.275 3.470 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1c(C)noc1C ZINC001479819809 1179468416 /nfs/dbraw/zinc/46/84/16/1179468416.db2.gz IQRUSVHBWNAOIO-YOEHRIQHSA-N 0 3 319.449 3.117 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(C)s1 ZINC001344875384 1179491077 /nfs/dbraw/zinc/49/10/77/1179491077.db2.gz RNZWDYHNNXAYAH-GFCCVEGCSA-N 0 3 315.398 3.112 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC001346095478 1179651916 /nfs/dbraw/zinc/65/19/16/1179651916.db2.gz FAQDGQVIXKQHQE-WMLDXEAASA-N 0 3 307.397 3.274 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001346096433 1179653184 /nfs/dbraw/zinc/65/31/84/1179653184.db2.gz QFOXYNGXAFQNPU-IUCAKERBSA-N 0 3 301.724 3.075 20 30 DGEDHN N#CC(C(=O)CCC(F)(F)F)c1nccn1Cc1ccccc1 ZINC001346537753 1179717223 /nfs/dbraw/zinc/71/72/23/1179717223.db2.gz PNAQAQAXRCABPQ-ZDUSSCGKSA-N 0 3 321.302 3.450 20 30 DGEDHN N#CC(C(=O)C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076481 1179774341 /nfs/dbraw/zinc/77/43/41/1179774341.db2.gz RZIKIRABSCSIEO-JJEJIETFSA-N 0 3 317.348 3.414 20 30 DGEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccncc1 ZINC001347992805 1179824610 /nfs/dbraw/zinc/82/46/10/1179824610.db2.gz IVTPQIKRRBBDTN-ZWNOBZJWSA-N 0 3 301.296 3.125 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602832891 1192999455 /nfs/dbraw/zinc/99/94/55/1192999455.db2.gz ANKBYGWEFLXUCA-AWEZNQCLSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602832891 1192999457 /nfs/dbraw/zinc/99/94/57/1192999457.db2.gz ANKBYGWEFLXUCA-AWEZNQCLSA-N 0 3 315.421 3.100 20 30 DGEDHN C[C@H](NC[C@H](O)CC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001351274295 1180194018 /nfs/dbraw/zinc/19/40/18/1180194018.db2.gz QTVMWTPWFFHUJI-IFXJQAMLSA-N 0 3 305.381 3.150 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001352868358 1180413135 /nfs/dbraw/zinc/41/31/35/1180413135.db2.gz HSRBREUODOFKET-CQSZACIVSA-N 0 3 324.415 3.457 20 30 DGEDHN C=CCCC(=O)NCC1CC(N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001100168995 1180417385 /nfs/dbraw/zinc/41/73/85/1180417385.db2.gz ASSMDIZDKIRGMS-OPFPJEHXSA-N 0 3 322.399 3.476 20 30 DGEDHN C[C@@H](CNC(=O)[C@H]1CCC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001480532188 1180613467 /nfs/dbraw/zinc/61/34/67/1180613467.db2.gz CJKBVIVEPFAUBQ-STQMWFEESA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC001353748230 1180641147 /nfs/dbraw/zinc/64/11/47/1180641147.db2.gz CKXVRTJMFNXCON-KBPBESRZSA-N 0 3 314.351 3.132 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100594967 1180833781 /nfs/dbraw/zinc/83/37/81/1180833781.db2.gz ITFLDOHRXKTTJY-QHGAOEGBSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2cc(C)ccc2F)C1 ZINC001100623361 1180860673 /nfs/dbraw/zinc/86/06/73/1180860673.db2.gz KNULPCIYEDQFCA-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200823437 1180941704 /nfs/dbraw/zinc/94/17/04/1180941704.db2.gz JCBGJBNSOZHFEE-FMIVXFBMSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(CC)C1CCCC1 ZINC001355889351 1181109629 /nfs/dbraw/zinc/10/96/29/1181109629.db2.gz ZRQXYXBWGDPGKB-HNNXBMFYSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCCCCCN(C)c1nnc([C@@H]2CCCN(C)C2)n1CC ZINC001356456363 1181197259 /nfs/dbraw/zinc/19/72/59/1181197259.db2.gz FJEHYXWMEDXMHO-MRXNPFEDSA-N 0 3 319.497 3.290 20 30 DGEDHN Cc1noc(-c2ccc(C(=O)C(C#N)c3cccc(F)n3)cc2)n1 ZINC001357580387 1181410767 /nfs/dbraw/zinc/41/07/67/1181410767.db2.gz NUWMNZHLNXGYQU-CYBMUJFWSA-N 0 3 322.299 3.069 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001357667863 1181416520 /nfs/dbraw/zinc/41/65/20/1181416520.db2.gz IRVDPRKAZKWZHO-MSOLQXFVSA-N 0 3 317.477 3.475 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(SC)CC1 ZINC001357967659 1181440250 /nfs/dbraw/zinc/44/02/50/1181440250.db2.gz ZNSUXODRNOOYKS-HNNXBMFYSA-N 0 3 300.512 3.418 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC(C)(C)C[C@H]1C ZINC001473555121 1181543456 /nfs/dbraw/zinc/54/34/56/1181543456.db2.gz VNSDJLNAIUEJGZ-BWRBCVJASA-N 0 3 319.493 3.426 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1 ZINC001480726660 1181688435 /nfs/dbraw/zinc/68/84/35/1181688435.db2.gz HDPPEPGVLABRGH-GOSISDBHSA-N 0 3 324.468 3.125 20 30 DGEDHN O=C(NCC#Cc1ccccc1)c1ccc(NC2=NCCC2)cc1 ZINC001440817006 1182049401 /nfs/dbraw/zinc/04/94/01/1182049401.db2.gz KGOSHFGXZRUXCD-UHFFFAOYSA-N 0 3 317.392 3.072 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1ccccc1F ZINC001448881928 1182217271 /nfs/dbraw/zinc/21/72/71/1182217271.db2.gz HNSMRECCVZTTMF-OAHLLOKOSA-N 0 3 306.425 3.286 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460181540 1182659449 /nfs/dbraw/zinc/65/94/49/1182659449.db2.gz SMILSFQOAZCYHY-ZBFHGGJFSA-N 0 3 322.246 3.218 20 30 DGEDHN C=CCN(CC(=O)N(Cc1ccccc1)C1CC1)C(C)(C)C ZINC001460466604 1182689406 /nfs/dbraw/zinc/68/94/06/1182689406.db2.gz ZUPPUFWOPVWMTD-UHFFFAOYSA-N 0 3 300.446 3.464 20 30 DGEDHN C#CCC1(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCC1 ZINC001460822299 1182727765 /nfs/dbraw/zinc/72/77/65/1182727765.db2.gz WJYKIDVVHNAEPK-HNNXBMFYSA-N 0 3 320.795 3.120 20 30 DGEDHN CC1(N2CCOCC2)CCC(Nc2ccc(CC#N)cc2)CC1 ZINC001462063040 1182903507 /nfs/dbraw/zinc/90/35/07/1182903507.db2.gz NZSWYUBDIRLLEM-UHFFFAOYSA-N 0 3 313.445 3.198 20 30 DGEDHN CC(C)(C#N)CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001464785230 1183111991 /nfs/dbraw/zinc/11/19/91/1183111991.db2.gz AYAJOQSBIWCOIZ-QGZVFWFLSA-N 0 3 313.445 3.270 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001473142705 1183719886 /nfs/dbraw/zinc/71/98/86/1183719886.db2.gz UPHUZFFOWDHRGM-HZPDHXFCSA-N 0 3 308.466 3.367 20 30 DGEDHN CCCCO[C@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC001473260085 1183736369 /nfs/dbraw/zinc/73/63/69/1183736369.db2.gz PYUNLDCQRQWEGS-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN C#CCN(CCOC[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC001473825725 1183808046 /nfs/dbraw/zinc/80/80/46/1183808046.db2.gz DEDVSTOWEBXJTI-UYAOXDASSA-N 0 3 313.441 3.195 20 30 DGEDHN COc1cc(CNCc2cc3ccccc3n2C)ccc1C#N ZINC001474137337 1183873520 /nfs/dbraw/zinc/87/35/20/1183873520.db2.gz DJJRJVHTAUGYKU-UHFFFAOYSA-N 0 3 305.381 3.348 20 30 DGEDHN C=CCN(CC=C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001474400393 1183915740 /nfs/dbraw/zinc/91/57/40/1183915740.db2.gz QQMFALDLTSQUNK-LBPRGKRZSA-N 0 3 304.381 3.209 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN(C)C1CC(OC(C)(C)C)C1 ZINC001474585793 1183944355 /nfs/dbraw/zinc/94/43/55/1183944355.db2.gz CYKBASVYSPRFBU-UHFFFAOYSA-N 0 3 315.461 3.402 20 30 DGEDHN C/C=C(/C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001496032188 1184026304 /nfs/dbraw/zinc/02/63/04/1184026304.db2.gz TVIPYWIOVMOQNF-AGKVCYSUSA-N 0 3 318.848 3.094 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C[C@H]1CCN1C(C)C)c1ccccc1 ZINC001479270728 1184225050 /nfs/dbraw/zinc/22/50/50/1184225050.db2.gz JISQPHALXHPPNZ-QZTJIDSGSA-N 0 3 300.446 3.287 20 30 DGEDHN CCCCOc1ccc([C@H](C)NCC#CCOC)cc1OC ZINC001653921842 1195759792 /nfs/dbraw/zinc/75/97/92/1195759792.db2.gz GVAUQWXNGCKCEV-HNNXBMFYSA-N 0 3 305.418 3.175 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001479426081 1184251925 /nfs/dbraw/zinc/25/19/25/1184251925.db2.gz LAHQMYYZIDAEOT-DLBZAZTESA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](CC)CC(F)F)C1 ZINC001479452605 1184254581 /nfs/dbraw/zinc/25/45/81/1184254581.db2.gz FRROLRXBYSAMOD-YNEHKIRRSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@@H]1CC ZINC001479635756 1184279773 /nfs/dbraw/zinc/27/97/73/1184279773.db2.gz MRBDMGJYPPRWRP-FUHWJXTLSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2)[C@H]1CC ZINC001479646263 1184284816 /nfs/dbraw/zinc/28/48/16/1184284816.db2.gz RMEVUSZJJGFPEB-BPQIPLTHSA-N 0 3 300.446 3.335 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccncc1C ZINC001479823844 1184339362 /nfs/dbraw/zinc/33/93/62/1184339362.db2.gz QDNSGTPPFOWUMU-GDBMZVCRSA-N 0 3 321.852 3.115 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC001479900671 1184371117 /nfs/dbraw/zinc/37/11/17/1184371117.db2.gz XPDGXUAZUOLSIU-CRAIPNDOSA-N 0 3 321.424 3.080 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001479905668 1184372104 /nfs/dbraw/zinc/37/21/04/1184372104.db2.gz TZVDBHCKCWMOKQ-LKIHTYOGSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001479905670 1184372827 /nfs/dbraw/zinc/37/28/27/1184372827.db2.gz TZVDBHCKCWMOKQ-YZTRRJNXSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001479909993 1184377862 /nfs/dbraw/zinc/37/78/62/1184377862.db2.gz ARECOFJNCHHEEQ-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479952002 1184388540 /nfs/dbraw/zinc/38/85/40/1184388540.db2.gz CEJSQQQJGFAOID-SJORKVTESA-N 0 3 312.457 3.296 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCN(CCOC(C)C)C2)CCCCC1 ZINC001479965528 1184398302 /nfs/dbraw/zinc/39/83/02/1184398302.db2.gz CHCCNJQYOQPXNE-QGZVFWFLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001479994813 1184406884 /nfs/dbraw/zinc/40/68/84/1184406884.db2.gz BXULBJDVAJMJNE-ZWKOTPCHSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCCC(=O)NC[C@H](N[C@@H](C)c1ccccc1F)C1CC1 ZINC001480016359 1184412105 /nfs/dbraw/zinc/41/21/05/1184412105.db2.gz PFYUOLPSOJWRJP-KSSFIOAISA-N 0 3 316.420 3.175 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001480077543 1184426713 /nfs/dbraw/zinc/42/67/13/1184426713.db2.gz MNCZCUSMDZGWEH-CQSZACIVSA-N 0 3 320.399 3.466 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001480094249 1184433220 /nfs/dbraw/zinc/43/32/20/1184433220.db2.gz MAZFWGFTBALMSH-HDICACEKSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]ccc2c1 ZINC001480098440 1184434346 /nfs/dbraw/zinc/43/43/46/1184434346.db2.gz QJTAINXLUOXVSM-HDICACEKSA-N 0 3 323.440 3.423 20 30 DGEDHN CC1(C)CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480152042 1184445506 /nfs/dbraw/zinc/44/55/06/1184445506.db2.gz LQHOOQCMLUFCSY-FHWLQOOXSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001480264131 1184476310 /nfs/dbraw/zinc/47/63/10/1184476310.db2.gz WADHLTYJGOIPEE-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCc1ccccc1 ZINC001480325772 1184493870 /nfs/dbraw/zinc/49/38/70/1184493870.db2.gz ZHDLOVFQFAZGCL-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001480330295 1184495498 /nfs/dbraw/zinc/49/54/98/1184495498.db2.gz MRKWFBHISVXMSL-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC001480379496 1184515526 /nfs/dbraw/zinc/51/55/26/1184515526.db2.gz JYCYFEOTUOPNTJ-GOEBONIOSA-N 0 3 319.449 3.056 20 30 DGEDHN CCC(CC)CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001480562822 1184549517 /nfs/dbraw/zinc/54/95/17/1184549517.db2.gz VNZAGXWHHRDCRI-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC001480698877 1184580147 /nfs/dbraw/zinc/58/01/47/1184580147.db2.gz UEROOPUIAINLKW-CABCVRRESA-N 0 3 321.490 3.325 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC001480728767 1184590474 /nfs/dbraw/zinc/59/04/74/1184590474.db2.gz USBUYNKUIBTBRD-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC001480728130 1184590701 /nfs/dbraw/zinc/59/07/01/1184590701.db2.gz LFVRGHASUZNHCD-KRWDZBQOSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC001480740602 1184596206 /nfs/dbraw/zinc/59/62/06/1184596206.db2.gz AZHVCJRQLPTMNC-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)[C@H](C)C#N)cc1 ZINC001493087876 1184645790 /nfs/dbraw/zinc/64/57/90/1184645790.db2.gz RUUYKQDIUBMCIR-CRAIPNDOSA-N 0 3 313.445 3.050 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001493332132 1184688440 /nfs/dbraw/zinc/68/84/40/1184688440.db2.gz ZEGDBJJRYTVVLJ-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(CCC)c(C)s1 ZINC001493345377 1184690603 /nfs/dbraw/zinc/69/06/03/1184690603.db2.gz XFTJRCYVXYXFAZ-UHFFFAOYSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCN(CCNC(=O)c1cnc(CC(C)(C)C)s1)C1CC1 ZINC001493439660 1184707452 /nfs/dbraw/zinc/70/74/52/1184707452.db2.gz ZNAMGAQJTUXVOP-UHFFFAOYSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001493654745 1184722563 /nfs/dbraw/zinc/72/25/63/1184722563.db2.gz KSFJTXRBADVIHY-GFCCVEGCSA-N 0 3 310.388 3.286 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(Cl)c(F)c1 ZINC001493654584 1184722588 /nfs/dbraw/zinc/72/25/88/1184722588.db2.gz GAQPNFQHOMCUMP-UHFFFAOYSA-N 0 3 312.816 3.239 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc(C)c(C)cn1)c1ccccc1 ZINC001493893356 1184759285 /nfs/dbraw/zinc/75/92/85/1184759285.db2.gz SPEDEVOLHQLOSX-LJQANCHMSA-N 0 3 323.440 3.335 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc3occc3[nH]2)C1 ZINC001493957551 1184776642 /nfs/dbraw/zinc/77/66/42/1184776642.db2.gz VOGDWHZDYQQFAE-CQSZACIVSA-N 0 3 315.417 3.264 20 30 DGEDHN C=CCCCC(=O)N(CCC)[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001493959955 1184777139 /nfs/dbraw/zinc/77/71/39/1184777139.db2.gz JKNUOCMOLRTQJL-QZTJIDSGSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CCC)C(=O)c2nccs2)C1 ZINC001493971676 1184779723 /nfs/dbraw/zinc/77/97/23/1184779723.db2.gz PELNLGUFABMETF-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@@H](CN(C)CCF)C1)c1ccccc1 ZINC001494178184 1184826949 /nfs/dbraw/zinc/82/69/49/1184826949.db2.gz GYWCSRXYNQRJSL-WMZOPIPTSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001494271241 1184842744 /nfs/dbraw/zinc/84/27/44/1184842744.db2.gz QSOVGMCBIZVNEB-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001494554870 1184884640 /nfs/dbraw/zinc/88/46/40/1184884640.db2.gz CGHBLVUXISYEAT-UHFFFAOYSA-N 0 3 314.473 3.399 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001494673645 1184903503 /nfs/dbraw/zinc/90/35/03/1184903503.db2.gz YWXJQDBBULEYQW-HOTGVXAUSA-N 0 3 310.457 3.382 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1F ZINC001494678534 1184905338 /nfs/dbraw/zinc/90/53/38/1184905338.db2.gz LVGQJHWRUNUFQX-JYJNAYRXSA-N 0 3 316.420 3.181 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001494719087 1184912141 /nfs/dbraw/zinc/91/21/41/1184912141.db2.gz QXOFQWFLUJZULT-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001494728765 1184914895 /nfs/dbraw/zinc/91/48/95/1184914895.db2.gz RGJZRRHDPBBAIY-GJZGRUSLSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001494914573 1184960428 /nfs/dbraw/zinc/96/04/28/1184960428.db2.gz UOIXKEIVKZFULZ-IEBWSBKVSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1cccc(Cl)n1 ZINC001494985533 1184976374 /nfs/dbraw/zinc/97/63/74/1184976374.db2.gz AQIOXBJPAYMVEA-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001495033667 1184982955 /nfs/dbraw/zinc/98/29/55/1184982955.db2.gz FKMQZTHHUMILCZ-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccccc1-c1nnn[n-]1 ZINC001609055674 1193322384 /nfs/dbraw/zinc/32/23/84/1193322384.db2.gz OFELGKQXGDUILG-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccccc1-c1nnn[n-]1 ZINC001609055674 1193322387 /nfs/dbraw/zinc/32/23/87/1193322387.db2.gz OFELGKQXGDUILG-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccccc1-c1nn[n-]n1 ZINC001609055674 1193322389 /nfs/dbraw/zinc/32/23/89/1193322389.db2.gz OFELGKQXGDUILG-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccccc1-c1nn[n-]n1 ZINC001609055674 1193322395 /nfs/dbraw/zinc/32/23/95/1193322395.db2.gz OFELGKQXGDUILG-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1ccccc1F ZINC001495050469 1184988546 /nfs/dbraw/zinc/98/85/46/1184988546.db2.gz ORUPSBRTYCEICS-MAUKXSAKSA-N 0 3 306.425 3.412 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H]2CC[C@H](C)C2)cc1 ZINC001495491591 1185063648 /nfs/dbraw/zinc/06/36/48/1185063648.db2.gz GAHIUADYWAAZGE-LPHOPBHVSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001495721058 1185094320 /nfs/dbraw/zinc/09/43/20/1185094320.db2.gz ZFINSLZUYPFBBU-ZDUSSCGKSA-N 0 3 324.415 3.409 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001496069640 1185130651 /nfs/dbraw/zinc/13/06/51/1185130651.db2.gz ARWXXMCWZNFYEA-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)[C@H](C)CNCc2ccccc2F)cc1 ZINC001496127233 1185137330 /nfs/dbraw/zinc/13/73/30/1185137330.db2.gz BIRGMBARSMSCJW-OAHLLOKOSA-N 0 3 324.399 3.057 20 30 DGEDHN CCC(=O)N1CCC(CCN(C)Cc2ccc(C#N)s2)CC1 ZINC001496493020 1185198639 /nfs/dbraw/zinc/19/86/39/1185198639.db2.gz CPBRBBBUPKQSEM-UHFFFAOYSA-N 0 3 319.474 3.090 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001496701068 1185234759 /nfs/dbraw/zinc/23/47/59/1185234759.db2.gz SPDRTIVMWKPRKN-HNNXBMFYSA-N 0 3 320.864 3.451 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCN[C@H](C)c1nc2ccccc2o1 ZINC001497156294 1185288183 /nfs/dbraw/zinc/28/81/83/1185288183.db2.gz UAWMBOPFZFUBCB-UONOGXRCSA-N 0 3 315.417 3.339 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001497198232 1185295320 /nfs/dbraw/zinc/29/53/20/1185295320.db2.gz VVPRQJCZZCIWQJ-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2ccccc2F)CCC1 ZINC001497904907 1185407932 /nfs/dbraw/zinc/40/79/32/1185407932.db2.gz BDOOGRNORDPKHL-CQSZACIVSA-N 0 3 304.409 3.166 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001498016198 1185424826 /nfs/dbraw/zinc/42/48/26/1185424826.db2.gz VDNUCKMBSLJOOR-AWEZNQCLSA-N 0 3 320.864 3.222 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001498148464 1185441197 /nfs/dbraw/zinc/44/11/97/1185441197.db2.gz RSIHNCNWPDGCCT-ZFWWWQNUSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001498356118 1185476248 /nfs/dbraw/zinc/47/62/48/1185476248.db2.gz PICDQSXYIQHOIY-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1Cl ZINC001498435634 1185494997 /nfs/dbraw/zinc/49/49/97/1185494997.db2.gz CZQXCRSEEGGYSL-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2cc(F)ccc2s1 ZINC001498447594 1185498815 /nfs/dbraw/zinc/49/88/15/1185498815.db2.gz BOXAAKGRUOAAGR-LLVKDONJSA-N 0 3 306.406 3.277 20 30 DGEDHN CCC(=CC(=O)N(C)CCCNCc1ccccc1C#N)CC ZINC001498533313 1185514044 /nfs/dbraw/zinc/51/40/44/1185514044.db2.gz RTPZBPZTHSUFTF-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCN[C@@H](C)c1c(F)cccc1F ZINC001498546559 1185515953 /nfs/dbraw/zinc/51/59/53/1185515953.db2.gz WDNDGPWILXESBZ-AWEZNQCLSA-N 0 3 322.399 3.123 20 30 DGEDHN C=CCCC(=O)N[C@H](CN[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC001498736903 1185537828 /nfs/dbraw/zinc/53/78/28/1185537828.db2.gz UWGQJGCDGGWBAM-SJKOYZFVSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1cnc(C)s1)C1CC1 ZINC001498817128 1185551929 /nfs/dbraw/zinc/55/19/29/1185551929.db2.gz KFAQCFOUVNQCFW-NVXWUHKLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001499032889 1185595324 /nfs/dbraw/zinc/59/53/24/1185595324.db2.gz NEVOYDRLLVIMPJ-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001499082343 1185606637 /nfs/dbraw/zinc/60/66/37/1185606637.db2.gz SYXXFFUFGVFLGT-QAPCUYQASA-N 0 3 300.446 3.119 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)CC2CC2)CC1 ZINC001499523422 1185655533 /nfs/dbraw/zinc/65/55/33/1185655533.db2.gz VFDZVLQEFMYHAV-UHFFFAOYSA-N 0 3 310.869 3.242 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001499616253 1185678240 /nfs/dbraw/zinc/67/82/40/1185678240.db2.gz MQARUPFWYMYYEA-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1cc(C)ns1 ZINC001499897750 1185713721 /nfs/dbraw/zinc/71/37/21/1185713721.db2.gz SOGLOZUWIFSMNU-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CC1(C)CC[C@@H]1C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499918981 1185716976 /nfs/dbraw/zinc/71/69/76/1185716976.db2.gz LOTGQBQNLAZJHP-RBUKOAKNSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)SC)C1CCN(CC=C(C)C)CC1 ZINC001500034351 1185732763 /nfs/dbraw/zinc/73/27/63/1185732763.db2.gz LRSNSWNWWARPEJ-INIZCTEOSA-N 0 3 322.518 3.020 20 30 DGEDHN C#CCN(C(=O)/C=C(/C)CC)C1CCN(CC=C(C)C)CC1 ZINC001500037986 1185733203 /nfs/dbraw/zinc/73/32/03/1185733203.db2.gz QGWRUUTYHRSHIV-ICFOKQHNSA-N 0 3 302.462 3.235 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1CC=CC1)c1ccc2ccccc2c1 ZINC001500060611 1185736645 /nfs/dbraw/zinc/73/66/45/1185736645.db2.gz SFYHZMZPYUWHMR-FQEVSTJZSA-N 0 3 318.420 3.186 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CC(C)(C)CC(F)F)C1 ZINC001500242893 1185762510 /nfs/dbraw/zinc/76/25/10/1185762510.db2.gz IPEHDOOKUYYDKC-INIZCTEOSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001500243893 1185762727 /nfs/dbraw/zinc/76/27/27/1185762727.db2.gz QPNZAIPWEHWADY-HBFSDRIKSA-N 0 3 312.457 3.022 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001500472169 1185798964 /nfs/dbraw/zinc/79/89/64/1185798964.db2.gz MYBTVXDPZSPJLU-LJQANCHMSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001500553532 1185822182 /nfs/dbraw/zinc/82/21/82/1185822182.db2.gz ZUYRAXXDRHCMRF-UYAOXDASSA-N 0 3 312.457 3.361 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cocc1C)c1ccccc1CC ZINC001501022792 1185857396 /nfs/dbraw/zinc/85/73/96/1185857396.db2.gz QZNPQLFBKLQTNG-GOSISDBHSA-N 0 3 312.413 3.397 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C/C=C/Cc3ccccc3)[C@@H]2C1 ZINC001501419593 1185903170 /nfs/dbraw/zinc/90/31/70/1185903170.db2.gz OUPOHDOUNMZWCB-RLWBPELLSA-N 0 3 324.468 3.284 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H](C)c2ccco2)C1 ZINC001501638702 1185914725 /nfs/dbraw/zinc/91/47/25/1185914725.db2.gz ZSZLXQLYMFDIGT-DZGCQCFKSA-N 0 3 324.852 3.354 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001501665779 1185917529 /nfs/dbraw/zinc/91/75/29/1185917529.db2.gz PTPZDJYDPDNXQV-RHSMWYFYSA-N 0 3 304.409 3.059 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2CCC=CCC2)cc1 ZINC001501682147 1185921846 /nfs/dbraw/zinc/92/18/46/1185921846.db2.gz YTNQUYUAYHPKPQ-MRXNPFEDSA-N 0 3 310.441 3.333 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC001502136082 1185959440 /nfs/dbraw/zinc/95/94/40/1185959440.db2.gz XSXFYVTVKZOHFS-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001502359831 1185973647 /nfs/dbraw/zinc/97/36/47/1185973647.db2.gz HUKUGRXKFJKUIJ-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001502359561 1185973827 /nfs/dbraw/zinc/97/38/27/1185973827.db2.gz AODFNSGGHNCAEY-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCN(C)Cc2ccsc2)C1 ZINC001502373363 1185976567 /nfs/dbraw/zinc/97/65/67/1185976567.db2.gz JPFCWZWNQKKECF-UHFFFAOYSA-N 0 3 306.475 3.385 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C1 ZINC001502745308 1186006671 /nfs/dbraw/zinc/00/66/71/1186006671.db2.gz SMBUZKLADUHWNC-NEPJUHHUSA-N 0 3 319.276 3.344 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001502836378 1186022097 /nfs/dbraw/zinc/02/20/97/1186022097.db2.gz OPMWCHKTWKZAMZ-QZTJIDSGSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccccc1F ZINC001505444885 1186081125 /nfs/dbraw/zinc/08/11/25/1186081125.db2.gz KMICDRAGCFTHFP-RDJZCZTQSA-N 0 3 318.436 3.113 20 30 DGEDHN C[C@H](CN(C)[C@@H]1CCN(c2sccc2C#N)C1=O)C(C)(C)C ZINC001655536001 1195928922 /nfs/dbraw/zinc/92/89/22/1195928922.db2.gz UPBPJRIOIOIMAI-TZMCWYRMSA-N 0 3 319.474 3.339 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2coc3ccccc23)C1 ZINC001505539816 1186099804 /nfs/dbraw/zinc/09/98/04/1186099804.db2.gz WYFZHNJSPVFNKI-UHFFFAOYSA-N 0 3 318.804 3.283 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1ccc(CF)cc1 ZINC001505916864 1186163168 /nfs/dbraw/zinc/16/31/68/1186163168.db2.gz UFDFSRNHZFMIAX-HNNXBMFYSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CCCc1ccc(Cl)cc1 ZINC001505952738 1186169726 /nfs/dbraw/zinc/16/97/26/1186169726.db2.gz GOQGCCPLUCZNKO-CQSZACIVSA-N 0 3 308.853 3.285 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccoc2C)CCCCC1 ZINC001506500945 1186235380 /nfs/dbraw/zinc/23/53/80/1186235380.db2.gz QWOVHSBFLHRYIF-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C/C=C(\C)C(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001506511839 1186237238 /nfs/dbraw/zinc/23/72/38/1186237238.db2.gz WGGGCKDDIVLFEG-JFQJCAQQSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001506621304 1186263435 /nfs/dbraw/zinc/26/34/35/1186263435.db2.gz RPAQEIWEFSTRON-KRWDZBQOSA-N 0 3 312.457 3.043 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001506625035 1186263683 /nfs/dbraw/zinc/26/36/83/1186263683.db2.gz AJKPSEBENBFFLL-MRXNPFEDSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001506667610 1186271073 /nfs/dbraw/zinc/27/10/73/1186271073.db2.gz SAXRRKXHBCOMHV-KRWDZBQOSA-N 0 3 314.473 3.249 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C(C)(C)C1 ZINC001506750649 1186287242 /nfs/dbraw/zinc/28/72/42/1186287242.db2.gz OABJWZVKEIMVBD-LBPRGKRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001506938670 1186317668 /nfs/dbraw/zinc/31/76/68/1186317668.db2.gz VAYLXHXUARAIEL-BFHYXJOUSA-N 0 3 310.825 3.010 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001507024161 1186342478 /nfs/dbraw/zinc/34/24/78/1186342478.db2.gz TWXQQTVNCRSXIJ-HXUWFJFHSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccccc1F ZINC001507070818 1186355027 /nfs/dbraw/zinc/35/50/27/1186355027.db2.gz MKQGCNGVFNJZHK-CABCVRRESA-N 0 3 304.409 3.127 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001507080957 1186356869 /nfs/dbraw/zinc/35/68/69/1186356869.db2.gz MTMDRNODOLCELE-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1 ZINC001507113473 1186362692 /nfs/dbraw/zinc/36/26/92/1186362692.db2.gz OGNMDZXIYIIYOE-KGLIPLIRSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(-c2ccccc2)o1 ZINC001507125434 1186366596 /nfs/dbraw/zinc/36/65/96/1186366596.db2.gz QXUYECDLDGQYMH-OAHLLOKOSA-N 0 3 310.397 3.020 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001507157845 1186375227 /nfs/dbraw/zinc/37/52/27/1186375227.db2.gz AEEIRLKUCXRLGJ-MAUKXSAKSA-N 0 3 318.436 3.025 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001507309113 1186386889 /nfs/dbraw/zinc/38/68/89/1186386889.db2.gz GQNYVEXFSXIJHH-UKRRQHHQSA-N 0 3 306.475 3.429 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](CC)CCCC)CCC[C@@H]12 ZINC001507361262 1186402700 /nfs/dbraw/zinc/40/27/00/1186402700.db2.gz ZSSZWIPZGCYZKO-ZHALLVOQSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001507372943 1186406780 /nfs/dbraw/zinc/40/67/80/1186406780.db2.gz MTBVHCZYBIHTAM-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1csc(C)c1C)C(C)C ZINC001507802092 1186444943 /nfs/dbraw/zinc/44/49/43/1186444943.db2.gz NZLHXWKCSQEPKU-UHFFFAOYSA-N 0 3 306.475 3.171 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC001507855695 1186450994 /nfs/dbraw/zinc/45/09/94/1186450994.db2.gz SKSPSEVZGLBVEC-MSOLQXFVSA-N 0 3 324.509 3.183 20 30 DGEDHN C=CCCCC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001508005123 1186466742 /nfs/dbraw/zinc/46/67/42/1186466742.db2.gz XPCNZMBSCOTUNL-MRXNPFEDSA-N 0 3 303.450 3.058 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)c2ccco2)CC1 ZINC001508085619 1186478447 /nfs/dbraw/zinc/47/84/47/1186478447.db2.gz GMVMCVUCCFKNSG-CVEARBPZSA-N 0 3 316.445 3.013 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1nc2ccccc2s1 ZINC001517064951 1186800526 /nfs/dbraw/zinc/80/05/26/1186800526.db2.gz QXBHVNJVQODICH-LBPRGKRZSA-N 0 3 324.409 3.322 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001520037562 1186913056 /nfs/dbraw/zinc/91/30/56/1186913056.db2.gz YFKVHUDLAOFMCD-CNFDIIHVSA-N 0 3 317.820 3.322 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1csc2ccccc21 ZINC001521812858 1187049994 /nfs/dbraw/zinc/04/99/94/1187049994.db2.gz PHJVGKVSZOAKRO-DOMZBBRYSA-N 0 3 315.442 3.490 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC001521995399 1187060413 /nfs/dbraw/zinc/06/04/13/1187060413.db2.gz VNSUYZWJEVXJSC-HOTGVXAUSA-N 0 3 320.408 3.181 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)c1ccc(Br)cc1 ZINC001522810740 1187105403 /nfs/dbraw/zinc/10/54/03/1187105403.db2.gz NZNQBWLZDJDLDJ-CYBMUJFWSA-N 0 3 311.223 3.096 20 30 DGEDHN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703120 1187261090 /nfs/dbraw/zinc/26/10/90/1187261090.db2.gz AGTXJTFJDFSDBB-MMQHEFTJSA-N 0 3 318.311 3.054 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCC(=O)c1ccccc1 ZINC001526587737 1187376758 /nfs/dbraw/zinc/37/67/58/1187376758.db2.gz UEKQZNWZOANZSE-HNNXBMFYSA-N 0 3 309.369 3.132 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001526587107 1187376972 /nfs/dbraw/zinc/37/69/72/1187376972.db2.gz JIQRRMGPUURMIY-UTUOFQBUSA-N 0 3 313.323 3.448 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001526595014 1187377194 /nfs/dbraw/zinc/37/71/94/1187377194.db2.gz ULOSJJGXZOPSSK-CJNGLKHVSA-N 0 3 311.385 3.282 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccccc1C ZINC001526595426 1187377779 /nfs/dbraw/zinc/37/77/79/1187377779.db2.gz ZWRLSFVPCJJBPO-HNNXBMFYSA-N 0 3 311.385 3.247 20 30 DGEDHN CCN(C[C@@H](C)C#N)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001615332829 1193520176 /nfs/dbraw/zinc/52/01/76/1193520176.db2.gz UJMZYWJHHGJZGG-SOUVJXGZSA-N 0 3 309.454 3.161 20 30 DGEDHN C=CCC1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001540085122 1188217226 /nfs/dbraw/zinc/21/72/26/1188217226.db2.gz PTSIERFZPYBUGX-GOSISDBHSA-N 0 3 310.457 3.452 20 30 DGEDHN COCC#CCN(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC001616816947 1193548671 /nfs/dbraw/zinc/54/86/71/1193548671.db2.gz QTNYRZFCXCDHSO-SFHVURJKSA-N 0 3 315.457 3.485 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001540832725 1188264471 /nfs/dbraw/zinc/26/44/71/1188264471.db2.gz VXECDRSYRCJUAJ-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN CC1(C)CC(CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001617146704 1193559202 /nfs/dbraw/zinc/55/92/02/1193559202.db2.gz JNFOBEHBICRPAI-GOSISDBHSA-N 0 3 315.436 3.444 20 30 DGEDHN C=C1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC001563458258 1188449192 /nfs/dbraw/zinc/44/91/92/1188449192.db2.gz BUENMKALOSJNEL-MRXNPFEDSA-N 0 3 321.490 3.493 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001565824286 1188979587 /nfs/dbraw/zinc/97/95/87/1188979587.db2.gz GXOAFAVDVPGWLC-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)SCc1ccccc1 ZINC001556466058 1189002149 /nfs/dbraw/zinc/00/21/49/1189002149.db2.gz IAACTOHZKNPFTG-MRXNPFEDSA-N 0 3 320.502 3.275 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC001556466550 1189002640 /nfs/dbraw/zinc/00/26/40/1189002640.db2.gz DBALZZTVFYOHAN-CLFYSBASSA-N 0 3 311.429 3.147 20 30 DGEDHN C=CCCC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC001556737722 1189016743 /nfs/dbraw/zinc/01/67/43/1189016743.db2.gz MPVQUDCJIVZTOJ-FHWLQOOXSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCC[C@@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC001557767886 1189084414 /nfs/dbraw/zinc/08/44/14/1189084414.db2.gz HCZKIBQLCYTOGN-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc(-c2ccccc2)ns1 ZINC001559224063 1189183353 /nfs/dbraw/zinc/18/33/53/1189183353.db2.gz RKCSOPSBLBFEBF-UHFFFAOYSA-N 0 3 302.447 3.149 20 30 DGEDHN C#CCOCCN1CCC[C@H]1Cc1ccccc1Br ZINC001559923360 1189258010 /nfs/dbraw/zinc/25/80/10/1189258010.db2.gz ZGUJMHHIHLUKLP-HNNXBMFYSA-N 0 3 322.246 3.106 20 30 DGEDHN CN1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C(C)(C)C ZINC001559956506 1189262883 /nfs/dbraw/zinc/26/28/83/1189262883.db2.gz XVWHZGYTEMXMNU-MRXNPFEDSA-N 0 3 305.853 3.374 20 30 DGEDHN C[C@@H](CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001560128698 1189281854 /nfs/dbraw/zinc/28/18/54/1189281854.db2.gz JJIVEGDCQWZLFC-WMLDXEAASA-N 0 3 313.445 3.278 20 30 DGEDHN C#CCC1(NCc2ccc(OC)cc2Br)CCC1 ZINC001560165318 1189286629 /nfs/dbraw/zinc/28/66/29/1189286629.db2.gz IERGWXUOHZBPSP-UHFFFAOYSA-N 0 3 308.219 3.493 20 30 DGEDHN C=C(CNCc1cc(C(=O)OC)c2n1CCCC2)c1ccccc1 ZINC001560315010 1189310388 /nfs/dbraw/zinc/31/03/88/1189310388.db2.gz QPCOOPVIJORHFY-UHFFFAOYSA-N 0 3 324.424 3.414 20 30 DGEDHN N#CCCCCNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001560321629 1189310762 /nfs/dbraw/zinc/31/07/62/1189310762.db2.gz WDPQMGWHAPIKEL-UHFFFAOYSA-N 0 3 300.328 3.022 20 30 DGEDHN C=CC[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccncc1 ZINC001560338944 1189314080 /nfs/dbraw/zinc/31/40/80/1189314080.db2.gz SWMFRGCLHBLBLT-GOSISDBHSA-N 0 3 308.429 3.484 20 30 DGEDHN C=CC(C)(C)CCCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC001560578631 1189344227 /nfs/dbraw/zinc/34/42/27/1189344227.db2.gz AWVUNNRQGRFQNM-UHFFFAOYSA-N 0 3 321.465 3.457 20 30 DGEDHN CSc1ccc(CNCc2ccc3c(c2)ncn3C)cc1C#N ZINC001560589592 1189344761 /nfs/dbraw/zinc/34/47/61/1189344761.db2.gz USTNSOJTYZPLGJ-UHFFFAOYSA-N 0 3 322.437 3.457 20 30 DGEDHN CC1(CN2CCN(c3cccc(F)c3C#N)CC2)CCCC1 ZINC001560698053 1189362193 /nfs/dbraw/zinc/36/21/93/1189362193.db2.gz ZXKZFRAMNOUSNW-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CCN(c2ccccc2)CC1 ZINC001560715642 1189367663 /nfs/dbraw/zinc/36/76/63/1189367663.db2.gz PFDUGVGVKCIXEC-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(c2ccccc2)CCC1 ZINC001565821546 1189676162 /nfs/dbraw/zinc/67/61/62/1189676162.db2.gz LMJUZYKQJUANKL-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CCC)c1ccccn1 ZINC001565824549 1189677827 /nfs/dbraw/zinc/67/78/27/1189677827.db2.gz JIMBZSFHPFLZBK-IAGOWNOFSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001565829358 1189680081 /nfs/dbraw/zinc/68/00/81/1189680081.db2.gz DVVASWILGLZMCC-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cccnc2c1 ZINC001565829865 1189682203 /nfs/dbraw/zinc/68/22/03/1189682203.db2.gz PAZPSJNGAWBZSV-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)CCCC)C2)CC1 ZINC001565921156 1189704527 /nfs/dbraw/zinc/70/45/27/1189704527.db2.gz ARMMQGVPYBWDFZ-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C(CC)CC)C(C)(C)[C@H]21 ZINC001565992973 1189710622 /nfs/dbraw/zinc/71/06/22/1189710622.db2.gz NSCSGETURFGJEZ-ZACQAIPSSA-N 0 3 304.478 3.051 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC1CCCC1 ZINC001565992936 1189710643 /nfs/dbraw/zinc/71/06/43/1189710643.db2.gz NEEUKGMDDNCIES-NZSAHSFTSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H]1CC ZINC001566011257 1189716594 /nfs/dbraw/zinc/71/65/94/1189716594.db2.gz ZDQAODOZDNMIPM-UONOGXRCSA-N 0 3 318.383 3.102 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CCN(CCOCC(C)C)CC1 ZINC001566611525 1189822819 /nfs/dbraw/zinc/82/28/19/1189822819.db2.gz JBEWWOHWGYAXNB-IBGZPJMESA-N 0 3 324.509 3.184 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001566662748 1189847577 /nfs/dbraw/zinc/84/75/77/1189847577.db2.gz IJZUDEKZEIVPRY-UZLBHIALSA-N 0 3 324.468 3.230 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001566675262 1189855228 /nfs/dbraw/zinc/85/52/28/1189855228.db2.gz RJYARKRBBGGCNO-OAHLLOKOSA-N 0 3 321.465 3.320 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CC2(C=C)CCCCC2)CC1 ZINC001566693576 1189861268 /nfs/dbraw/zinc/86/12/68/1189861268.db2.gz VUUDBQALGVGUFM-QGZVFWFLSA-N 0 3 314.473 3.117 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC23CCC3)CC1 ZINC001566700022 1189864463 /nfs/dbraw/zinc/86/44/63/1189864463.db2.gz WEDZGWSRZCPTDT-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN CC(C)(C)CC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001566703303 1189867386 /nfs/dbraw/zinc/86/73/86/1189867386.db2.gz RBPROELCWKPPLO-HNNXBMFYSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCC2 ZINC001566756248 1189891460 /nfs/dbraw/zinc/89/14/60/1189891460.db2.gz JHWOPZYWFXLTOR-BGYRXZFFSA-N 0 3 324.468 3.430 20 30 DGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CCCCCC)C1 ZINC001566811068 1189910426 /nfs/dbraw/zinc/91/04/26/1189910426.db2.gz LSAMDPLDYOZKCK-JOCQHMNTSA-N 0 3 317.271 3.102 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1CCOC1CCC1 ZINC001566921040 1189951011 /nfs/dbraw/zinc/95/10/11/1189951011.db2.gz FNECIXMCRJOILB-MRXNPFEDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001566945862 1189962496 /nfs/dbraw/zinc/96/24/96/1189962496.db2.gz VSSIABAAZILLFC-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnoc2C)C1 ZINC001566962555 1189972819 /nfs/dbraw/zinc/97/28/19/1189972819.db2.gz JJIXBXQQAXECEZ-GOEBONIOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001566971991 1189977770 /nfs/dbraw/zinc/97/77/70/1189977770.db2.gz ANYIVDKVFNQDPM-ZRCQAKLPSA-N 0 3 310.441 3.103 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCC(NCc2ocnc2C)CC1 ZINC001566987334 1189981689 /nfs/dbraw/zinc/98/16/89/1189981689.db2.gz DCRAMXJGTWMMSN-JTTJXQCZSA-N 0 3 319.449 3.102 20 30 DGEDHN C[C@H](CNC(=O)CC1(C)CCCC1)NCc1ccc(C#N)s1 ZINC001567013866 1189995057 /nfs/dbraw/zinc/99/50/57/1189995057.db2.gz RKDKKVPCLCMMMZ-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(Cl)ccc1C ZINC001567234788 1190084724 /nfs/dbraw/zinc/08/47/24/1190084724.db2.gz YYYPAPFNRVPWOK-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC001567280126 1190110567 /nfs/dbraw/zinc/11/05/67/1190110567.db2.gz ULGVHUMLOZRXRF-UHFFFAOYSA-N 0 3 314.473 3.192 20 30 DGEDHN CCN(CCNC(=O)C(C)(CC)CC)Cc1cccc(C#N)c1 ZINC001567353907 1190148499 /nfs/dbraw/zinc/14/84/99/1190148499.db2.gz JWSWFXJCHZWWJW-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN CCCCCCCN1CCC[C@H]1CNC(=O)c1snnc1C ZINC001567358567 1190150718 /nfs/dbraw/zinc/15/07/18/1190150718.db2.gz WEBBAJDSIYFYLU-AWEZNQCLSA-N 0 3 324.494 3.011 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001567409845 1190176965 /nfs/dbraw/zinc/17/69/65/1190176965.db2.gz PYMYBTWEGOADDY-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccsc1C(F)F)C1CC1 ZINC001567454059 1190202100 /nfs/dbraw/zinc/20/21/00/1190202100.db2.gz WSMFFZCJYXSOOV-UHFFFAOYSA-N 0 3 314.401 3.456 20 30 DGEDHN C=CCCC(=O)N(C)CCNCc1ccccc1C(F)(F)F ZINC001567473085 1190205821 /nfs/dbraw/zinc/20/58/21/1190205821.db2.gz RHCYKMMLDMYNLD-UHFFFAOYSA-N 0 3 314.351 3.220 20 30 DGEDHN CC#CCCCC(=O)N(C)CCNCc1c(C)cccc1Cl ZINC001567546326 1190216408 /nfs/dbraw/zinc/21/64/08/1190216408.db2.gz HGUWNPMALJEDDY-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](F)CC)c1ccc(C(C)C)cc1 ZINC001567654345 1190239304 /nfs/dbraw/zinc/23/93/04/1190239304.db2.gz OXTGAVHZOBGCKC-ZWKOTPCHSA-N 0 3 318.436 3.328 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1CC(C)(C)C1)c1ccccc1 ZINC001567658166 1190240133 /nfs/dbraw/zinc/24/01/33/1190240133.db2.gz ZBWFMAMOAKHTLB-QGZVFWFLSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1c(C)cc(C)nc1C)c1ccccc1 ZINC001567660720 1190240786 /nfs/dbraw/zinc/24/07/86/1190240786.db2.gz HYRBGRZMGHEZIS-GOSISDBHSA-N 0 3 323.440 3.254 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C2=CCCCCC2)C1 ZINC001567681277 1190248436 /nfs/dbraw/zinc/24/84/36/1190248436.db2.gz DLSZSUQYIJAMBN-GOSISDBHSA-N 0 3 302.462 3.213 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H](N(CCC)C(=O)c2ccns2)C1 ZINC001567685299 1190252197 /nfs/dbraw/zinc/25/21/97/1190252197.db2.gz VUEZDBBRWLZVJH-LSDHHAIUSA-N 0 3 321.490 3.424 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001567683685 1190252794 /nfs/dbraw/zinc/25/27/94/1190252794.db2.gz YXUJFLUBJDHFRR-RCCFBDPRSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001567688932 1190255106 /nfs/dbraw/zinc/25/51/06/1190255106.db2.gz OGYTZJAIBVQHMA-LJQANCHMSA-N 0 3 312.457 3.253 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cscn2)C1 ZINC001567771695 1190294858 /nfs/dbraw/zinc/29/48/58/1190294858.db2.gz FKKPIYWBDBKVIO-AWEZNQCLSA-N 0 3 307.463 3.084 20 30 DGEDHN C#CCCCCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001567828408 1190312213 /nfs/dbraw/zinc/31/22/13/1190312213.db2.gz PDKGEZDNSBJFSQ-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CCc2ccc(CC)cc2)C1 ZINC001567837849 1190315790 /nfs/dbraw/zinc/31/57/90/1190315790.db2.gz PQCSUJYQZPBPOG-UHFFFAOYSA-N 0 3 314.473 3.052 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccoc1 ZINC001567853637 1190323153 /nfs/dbraw/zinc/32/31/53/1190323153.db2.gz CVFQVUNPFHSTSA-ROUUACIJSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1 ZINC001567863540 1190326190 /nfs/dbraw/zinc/32/61/90/1190326190.db2.gz DSUCLCZOGDTDBU-HOTGVXAUSA-N 0 3 304.821 3.205 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001567865838 1190326374 /nfs/dbraw/zinc/32/63/74/1190326374.db2.gz AAXHZIBNKUBRKQ-WDSOQIARSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1Cl ZINC001567863574 1190327015 /nfs/dbraw/zinc/32/70/15/1190327015.db2.gz GCKFPUXDDBEIQP-KBPBESRZSA-N 0 3 304.821 3.205 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001567878524 1190331419 /nfs/dbraw/zinc/33/14/19/1190331419.db2.gz MFQVVKJQPXYDQZ-AEFFLSMTSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001567887627 1190335394 /nfs/dbraw/zinc/33/53/94/1190335394.db2.gz LUJBLTQREYNXMU-QGZVFWFLSA-N 0 3 300.446 3.467 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001567894252 1190337120 /nfs/dbraw/zinc/33/71/20/1190337120.db2.gz YINRUSMANRXJOX-QGZVFWFLSA-N 0 3 312.457 3.467 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001567910482 1190346615 /nfs/dbraw/zinc/34/66/15/1190346615.db2.gz IATOQJXDLKQMOW-IBGZPJMESA-N 0 3 324.468 3.256 20 30 DGEDHN CC[C@H](CNC(=O)c1cccc(C)c1)NCC#Cc1ccccc1 ZINC001567949690 1190371397 /nfs/dbraw/zinc/37/13/97/1190371397.db2.gz ZJIDRMYWSNTVQP-HXUWFJFHSA-N 0 3 320.436 3.145 20 30 DGEDHN CC[C@@H](CNC(=O)c1cccc(C)c1)NCC#Cc1ccccc1 ZINC001567949689 1190371451 /nfs/dbraw/zinc/37/14/51/1190371451.db2.gz ZJIDRMYWSNTVQP-FQEVSTJZSA-N 0 3 320.436 3.145 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001567958853 1190375725 /nfs/dbraw/zinc/37/57/25/1190375725.db2.gz BSLCSWGHEDNGNP-RQPMMQJISA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1cc2ccccc2o1 ZINC001567957971 1190376024 /nfs/dbraw/zinc/37/60/24/1190376024.db2.gz FLDYIORSGUJHQE-INIZCTEOSA-N 0 3 312.413 3.077 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(C)c(C)o1)C1CC1 ZINC001568018328 1190399043 /nfs/dbraw/zinc/39/90/43/1190399043.db2.gz IFASIRVMRLXMGH-INIZCTEOSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001568027596 1190401675 /nfs/dbraw/zinc/40/16/75/1190401675.db2.gz DTXONVWNPKRCCP-PXCJXSSVSA-N 0 3 316.848 3.142 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccncc2)CCCC[C@H]1C ZINC001568033847 1190404328 /nfs/dbraw/zinc/40/43/28/1190404328.db2.gz KFIUOMWXNBFRIA-CXAGYDPISA-N 0 3 321.852 3.102 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccncc2)CCCC[C@@H]1C ZINC001568033850 1190404479 /nfs/dbraw/zinc/40/44/79/1190404479.db2.gz KFIUOMWXNBFRIA-GUYCJALGSA-N 0 3 321.852 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@]2(CNCCF)CCCC[C@H]2C)CC1 ZINC001568039709 1190407127 /nfs/dbraw/zinc/40/71/27/1190407127.db2.gz GDEIHWSHLKUPRW-QAPCUYQASA-N 0 3 310.457 3.357 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 ZINC001568121644 1190427572 /nfs/dbraw/zinc/42/75/72/1190427572.db2.gz IEUOQJKBNIWVFZ-UHFFFAOYSA-N 0 3 320.436 3.346 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001568235919 1190457812 /nfs/dbraw/zinc/45/78/12/1190457812.db2.gz WYUOGDWWFGQSMG-UHFFFAOYSA-N 0 3 321.490 3.264 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H]1CCCC12CC2 ZINC001568280736 1190471412 /nfs/dbraw/zinc/47/14/12/1190471412.db2.gz BWCGMKKBJOHGCM-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCC1 ZINC001568328025 1190491471 /nfs/dbraw/zinc/49/14/71/1190491471.db2.gz TUWKKOOUMYJWFT-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C1CC(F)(F)C1 ZINC001568380281 1190506834 /nfs/dbraw/zinc/50/68/34/1190506834.db2.gz GYUABCHBGCAZFO-CYBMUJFWSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001568485229 1190540552 /nfs/dbraw/zinc/54/05/52/1190540552.db2.gz NRQQBTFUSLEPAS-MRXNPFEDSA-N 0 3 320.452 3.361 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001568492935 1190544579 /nfs/dbraw/zinc/54/45/79/1190544579.db2.gz CWXMUQNQDCHWPA-UHFFFAOYSA-N 0 3 318.436 3.240 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1ccccc1C ZINC001568551721 1190564803 /nfs/dbraw/zinc/56/48/03/1190564803.db2.gz PZHNLDAROOTUAP-KRWDZBQOSA-N 0 3 302.462 3.455 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C(C)C)nc1C ZINC001568678467 1190577629 /nfs/dbraw/zinc/57/76/29/1190577629.db2.gz RRLRLUAZTJYSCH-ZDUSSCGKSA-N 0 3 323.868 3.364 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1F ZINC001568691013 1190578761 /nfs/dbraw/zinc/57/87/61/1190578761.db2.gz YOKKPDWCHCAGGO-OLZOCXBDSA-N 0 3 312.816 3.166 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1coc2ccccc12 ZINC001568693243 1190579314 /nfs/dbraw/zinc/57/93/14/1190579314.db2.gz ROLNNLLXSOCLBW-ZDUSSCGKSA-N 0 3 320.820 3.212 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001568715491 1190581754 /nfs/dbraw/zinc/58/17/54/1190581754.db2.gz RWWMITQIHPIFAL-ZDUSSCGKSA-N 0 3 300.874 3.440 20 30 DGEDHN CC[C@H](C)CC(=O)N(CC)CCNCc1ccc(F)c(C#N)c1 ZINC001568739153 1190583993 /nfs/dbraw/zinc/58/39/93/1190583993.db2.gz OPGQIEFQORDNFX-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C[C@H](NC/C=C\CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC001568847880 1190594322 /nfs/dbraw/zinc/59/43/22/1190594322.db2.gz AQXDINGKCBESEK-SFAKSCPVSA-N 0 3 316.832 3.076 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CN[C@@H](C)c1ccc(F)cc1 ZINC001568902490 1190597984 /nfs/dbraw/zinc/59/79/84/1190597984.db2.gz JLUCXYCPACBEHB-WAVCKPEOSA-N 0 3 316.420 3.342 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001569026376 1190610102 /nfs/dbraw/zinc/61/01/02/1190610102.db2.gz GYIUAVGADCUBAQ-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(C)cc(F)cc1C ZINC001569229443 1190654821 /nfs/dbraw/zinc/65/48/21/1190654821.db2.gz VLWDRHXKQFBPDF-UHFFFAOYSA-N 0 3 312.816 3.247 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001569315180 1190664625 /nfs/dbraw/zinc/66/46/25/1190664625.db2.gz UMPSAVBPSFBENP-IBGZPJMESA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1[C@H](C)c1cc(C)ccc1C ZINC001569355171 1190673655 /nfs/dbraw/zinc/67/36/55/1190673655.db2.gz GIMDHYJZEQMUQM-QZTJIDSGSA-N 0 3 312.457 3.358 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001569359989 1190675152 /nfs/dbraw/zinc/67/51/52/1190675152.db2.gz POJYNLNHRZQPLL-QGZVFWFLSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001569362613 1190676777 /nfs/dbraw/zinc/67/67/77/1190676777.db2.gz DRGWIJWPPJAQAD-UONOGXRCSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001569371648 1190681315 /nfs/dbraw/zinc/68/13/15/1190681315.db2.gz VCRRXHGMPXTYSV-GFCCVEGCSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001569376741 1190683119 /nfs/dbraw/zinc/68/31/19/1190683119.db2.gz NPCHZVBEMVXKQP-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001569380060 1190686136 /nfs/dbraw/zinc/68/61/36/1190686136.db2.gz NDJCKXVBRPEXMA-NWDGAFQWSA-N 0 3 312.866 3.272 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1sc(C)cc1C ZINC001569384854 1190687513 /nfs/dbraw/zinc/68/75/13/1190687513.db2.gz UKIQQEVUHXXOFJ-HNNXBMFYSA-N 0 3 306.475 3.064 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@@H]2CCc3c2cccc3F)CC1 ZINC001569413032 1190693320 /nfs/dbraw/zinc/69/33/20/1190693320.db2.gz ZCKAXWRZHHISPM-MRXNPFEDSA-N 0 3 316.420 3.264 20 30 DGEDHN CCC(CC)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001569423618 1190695614 /nfs/dbraw/zinc/69/56/14/1190695614.db2.gz BUZFORMVSOTSKT-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCCCC(C)C)C2)C1 ZINC001569467135 1190703844 /nfs/dbraw/zinc/70/38/44/1190703844.db2.gz KLKPIYBPUMOFMX-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCC[C@@H](C)CC)C2)C1 ZINC001569474957 1190705369 /nfs/dbraw/zinc/70/53/69/1190705369.db2.gz PTBBRLCEIXHRTK-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001569481175 1190706511 /nfs/dbraw/zinc/70/65/11/1190706511.db2.gz PNFGHJLBJMQFBH-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001569553291 1190715958 /nfs/dbraw/zinc/71/59/58/1190715958.db2.gz QHCWQIZBYGXELK-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC001569572578 1190718664 /nfs/dbraw/zinc/71/86/64/1190718664.db2.gz OCHWWKYHKBOLOI-QGZVFWFLSA-N 0 3 322.493 3.271 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001569577143 1190719739 /nfs/dbraw/zinc/71/97/39/1190719739.db2.gz GUTUWENYPATZRK-QGZVFWFLSA-N 0 3 322.468 3.289 20 30 DGEDHN C#CCN(C(=O)CCC)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001569581224 1190719993 /nfs/dbraw/zinc/71/99/93/1190719993.db2.gz OYUWRTXJHVTIKB-WQLSENKSSA-N 0 3 324.468 3.426 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001569654146 1190735283 /nfs/dbraw/zinc/73/52/83/1190735283.db2.gz CCGDVIUGURBOBN-FXAWDEMLSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001569706139 1190743900 /nfs/dbraw/zinc/74/39/00/1190743900.db2.gz AOSXZCOQUHBXML-NQIIRXRSSA-N 0 3 324.468 3.032 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C(C2CCC2)C2CCC2)CC1 ZINC001569704196 1190743975 /nfs/dbraw/zinc/74/39/75/1190743975.db2.gz GDFNSYSDOVOYPT-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001569706728 1190744277 /nfs/dbraw/zinc/74/42/77/1190744277.db2.gz VVEOEUIHYHTYGK-CVEARBPZSA-N 0 3 306.494 3.156 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001569714812 1190747575 /nfs/dbraw/zinc/74/75/75/1190747575.db2.gz GKROQYASPXUJGL-LJQANCHMSA-N 0 3 316.445 3.176 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001569722309 1190749548 /nfs/dbraw/zinc/74/95/48/1190749548.db2.gz JFWPEIDWKPWQJN-IEBWSBKVSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccoc1)c1ccccc1CC ZINC001569799278 1190755145 /nfs/dbraw/zinc/75/51/45/1190755145.db2.gz BAIROWAVXPMAIV-GOSISDBHSA-N 0 3 312.413 3.018 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)/C(C)=C/CC)c1ccccc1CC ZINC001569800439 1190755499 /nfs/dbraw/zinc/75/54/99/1190755499.db2.gz QIFULBHHTQMEEZ-SKTWIKFTSA-N 0 3 312.457 3.376 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001569800699 1190755628 /nfs/dbraw/zinc/75/56/28/1190755628.db2.gz UDAMGOUPMNELNI-PKOBYXMFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CC12CCC2)c1ccccc1CC ZINC001569801756 1190755708 /nfs/dbraw/zinc/75/57/08/1190755708.db2.gz HTBVSEBNOVASJT-QZTJIDSGSA-N 0 3 312.457 3.372 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001569914577 1190773329 /nfs/dbraw/zinc/77/33/29/1190773329.db2.gz HFMNDGATCLEKAN-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001569978865 1190778812 /nfs/dbraw/zinc/77/88/12/1190778812.db2.gz MCIATDWEPGIYED-ZDUSSCGKSA-N 0 3 312.866 3.251 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@H](C)C1CC1 ZINC001570028173 1190783343 /nfs/dbraw/zinc/78/33/43/1190783343.db2.gz MCCJKUJZWGRAGN-HNNXBMFYSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)[C@H](C)CC ZINC001570028440 1190783471 /nfs/dbraw/zinc/78/34/71/1190783471.db2.gz VOEFKSPRAGEREN-SJORKVTESA-N 0 3 314.473 3.440 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cccnc2C)CCC1 ZINC001570105187 1190796696 /nfs/dbraw/zinc/79/66/96/1190796696.db2.gz LAUHKINFACQEDB-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN CC(C)CC(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001570189129 1190812959 /nfs/dbraw/zinc/81/29/59/1190812959.db2.gz MYPMVSBOZHVRST-UHFFFAOYSA-N 0 3 319.424 3.024 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1c(CC)oc2ccccc21 ZINC001570218234 1190825157 /nfs/dbraw/zinc/82/51/57/1190825157.db2.gz PPQZJYDCVXZVIL-UHFFFAOYSA-N 0 3 312.413 3.022 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(CCc2ccccc2F)[C@@H](C)C1 ZINC001570431712 1190856536 /nfs/dbraw/zinc/85/65/36/1190856536.db2.gz NDGSXQSFLGQZGH-DOTOQJQBSA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001570437666 1190858731 /nfs/dbraw/zinc/85/87/31/1190858731.db2.gz QDGAQEUUZUBSPD-DZGCQCFKSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ncccc2C)[C@H](C)C1 ZINC001570440249 1190859303 /nfs/dbraw/zinc/85/93/03/1190859303.db2.gz JQEZPUIWCNEOFP-IAGOWNOFSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(F)cc1F ZINC001570545494 1190884080 /nfs/dbraw/zinc/88/40/80/1190884080.db2.gz UIHFROLBRLKIHY-HIFRSBDPSA-N 0 3 322.399 3.177 20 30 DGEDHN CCCCCC(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC001570554335 1190887548 /nfs/dbraw/zinc/88/75/48/1190887548.db2.gz JBQCQVIDYSJJNC-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2ccc(C)cc2)C1 ZINC001570567048 1190889336 /nfs/dbraw/zinc/88/93/36/1190889336.db2.gz GYJGOYAATJEJFV-UHFFFAOYSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001570579750 1190891057 /nfs/dbraw/zinc/89/10/57/1190891057.db2.gz FYBHNUSXEZBASZ-UHFFFAOYSA-N 0 3 320.864 3.083 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)C/C=C/c1ccccc1 ZINC001570729997 1190933277 /nfs/dbraw/zinc/93/32/77/1190933277.db2.gz HFYYPSQZLFMFKC-BJRSVTDJSA-N 0 3 312.457 3.330 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001570820997 1190958362 /nfs/dbraw/zinc/95/83/62/1190958362.db2.gz WSUJCISZVVSHTB-QGZVFWFLSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccc(C3CC3)cc2)C1 ZINC001570836136 1190963012 /nfs/dbraw/zinc/96/30/12/1190963012.db2.gz ZKPIGDIMFZWWFJ-OAHLLOKOSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001570841606 1190964094 /nfs/dbraw/zinc/96/40/94/1190964094.db2.gz PBPUZIVJVNKEJB-HNNXBMFYSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cccc(Cl)c2)C(C)(C)C1 ZINC001570900018 1190972422 /nfs/dbraw/zinc/97/24/22/1190972422.db2.gz XMPUBWOOFHCLDU-MRXNPFEDSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001570909138 1190974711 /nfs/dbraw/zinc/97/47/11/1190974711.db2.gz DDJPMBJNBLLTCN-FUHWJXTLSA-N 0 3 312.457 3.359 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001571121528 1190982761 /nfs/dbraw/zinc/98/27/61/1190982761.db2.gz GFUYPUXNMJFDIV-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H](C)CCCNCc1ccc(C#N)cc1F ZINC001571227576 1190986853 /nfs/dbraw/zinc/98/68/53/1190986853.db2.gz ZWKHMJFGWOLUJO-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](F)c1ccccc1 ZINC001571315716 1190991446 /nfs/dbraw/zinc/99/14/46/1190991446.db2.gz WXJUSMRWAYGXQY-HIFRSBDPSA-N 0 3 312.816 3.324 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001571314541 1190991555 /nfs/dbraw/zinc/99/15/55/1190991555.db2.gz KGRCFUAEZQJHQH-OIISXLGYSA-N 0 3 320.864 3.417 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@@H]1C ZINC001571456089 1191023233 /nfs/dbraw/zinc/02/32/33/1191023233.db2.gz YVKLYKNRHZKVJX-GXTWGEPZSA-N 0 3 324.877 3.140 20 30 DGEDHN CCC(=CC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C)CC ZINC001571475975 1191027155 /nfs/dbraw/zinc/02/71/55/1191027155.db2.gz XUTYWTBPGHGLSF-PXNSSMCTSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cc(F)cc(F)c2)C[C@H]1C ZINC001571479311 1191027767 /nfs/dbraw/zinc/02/77/67/1191027767.db2.gz OPAKOWKPTUDYIT-DYVFJYSZSA-N 0 3 322.399 3.400 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCC3CCCCCC3)CCC[C@H]12 ZINC001571500783 1191033076 /nfs/dbraw/zinc/03/30/76/1191033076.db2.gz IFTNECORPUAPEM-ICSRJNTNSA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](CC)CC(F)(F)F)CCC[C@@H]12 ZINC001571505094 1191035267 /nfs/dbraw/zinc/03/52/67/1191035267.db2.gz MUYFRFJNKMEYCD-UMVBOHGHSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001571533268 1191045790 /nfs/dbraw/zinc/04/57/90/1191045790.db2.gz ZLBYJWBLXOMEPZ-HIZVYSOWSA-N 0 3 305.249 3.146 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc2occc2[nH]1)C(C)C ZINC001571612541 1191058625 /nfs/dbraw/zinc/05/86/25/1191058625.db2.gz NZYYKVLYXIIXKP-UHFFFAOYSA-N 0 3 303.406 3.119 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(C)C ZINC001571613295 1191058778 /nfs/dbraw/zinc/05/87/78/1191058778.db2.gz QDFZPBINHMDQLN-MSOLQXFVSA-N 0 3 318.505 3.417 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C12CC(C(C)(C)C)(C1)C2)C(C)C ZINC001571616520 1191063627 /nfs/dbraw/zinc/06/36/27/1191063627.db2.gz FZVSUJBAUZPYNK-UHFFFAOYSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc2ccccc2n1)C(C)C ZINC001571616290 1191063774 /nfs/dbraw/zinc/06/37/74/1191063774.db2.gz YDXVSZHHDPAHIY-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(N(C)C)cc1)C(C)C ZINC001571616305 1191064236 /nfs/dbraw/zinc/06/42/36/1191064236.db2.gz YNLUDEWUCRLPCJ-UHFFFAOYSA-N 0 3 317.477 3.111 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2ccccn2)C(C)(C)C)C1 ZINC001571631904 1191069189 /nfs/dbraw/zinc/06/91/89/1191069189.db2.gz IPAISXFYWSBHLA-MRXNPFEDSA-N 0 3 315.461 3.058 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001571645963 1191073520 /nfs/dbraw/zinc/07/35/20/1191073520.db2.gz AOWZJBIJYASHMS-IAGOWNOFSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](CC)CC(C)C)CC2)CC1 ZINC001571669734 1191080715 /nfs/dbraw/zinc/08/07/15/1191080715.db2.gz MDYVBUWTNWXYPA-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN C#C[C@H](NC(=O)[C@H](N)CC1CCCCC1)c1ccc(Cl)cc1 ZINC001574503732 1191445267 /nfs/dbraw/zinc/44/52/67/1191445267.db2.gz CCGRLAFARBDVKX-SJORKVTESA-N 0 3 318.848 3.428 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001574852891 1191454755 /nfs/dbraw/zinc/45/47/55/1191454755.db2.gz ZICZTVYPOVUDTM-RUXDESIVSA-N 0 3 300.874 3.425 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](N)c1ccccc1 ZINC001574890437 1191455553 /nfs/dbraw/zinc/45/55/53/1191455553.db2.gz VHHCBMOQXKJGKZ-OALUTQOASA-N 0 3 308.425 3.380 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001574903483 1191457487 /nfs/dbraw/zinc/45/74/87/1191457487.db2.gz RXJDIKZRQHXPAC-IRXDYDNUSA-N 0 3 313.445 3.349 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC001574902802 1191457647 /nfs/dbraw/zinc/45/76/47/1191457647.db2.gz GZNBTYXEZBEADG-OAHLLOKOSA-N 0 3 308.372 3.144 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1csc(-c2ccccc2)n1 ZINC001574908430 1191457865 /nfs/dbraw/zinc/45/78/65/1191457865.db2.gz NJOKDMQPUKBWCU-ZDUSSCGKSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC001574908593 1191458056 /nfs/dbraw/zinc/45/80/56/1191458056.db2.gz TYWDUOQJWALFFW-CQSZACIVSA-N 0 3 316.401 3.350 20 30 DGEDHN CC(C)(C)Nc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC001575148927 1191468738 /nfs/dbraw/zinc/46/87/38/1191468738.db2.gz AIQARUPRLMLYCD-CYBMUJFWSA-N 0 3 302.422 3.247 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC001576302508 1191558555 /nfs/dbraw/zinc/55/85/55/1191558555.db2.gz ULOIUEWJJPDKHT-AUUYWEPGSA-N 0 3 319.408 3.312 20 30 DGEDHN CC1(C)CN(C(=O)[C@H](N)CCCCC#N)c2ccccc2S1 ZINC001576448004 1191775601 /nfs/dbraw/zinc/77/56/01/1191775601.db2.gz VLPBQFGPQDOBMQ-CYBMUJFWSA-N 0 3 317.458 3.315 20 30 DGEDHN CCc1ccc(CCN2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001620507818 1193774015 /nfs/dbraw/zinc/77/40/15/1193774015.db2.gz YVBSDSYWWHZJQH-UHFFFAOYSA-N 0 3 319.452 3.485 20 30 DGEDHN C#C[C@@H]1CCCCN1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001620652302 1193786771 /nfs/dbraw/zinc/78/67/71/1193786771.db2.gz KNAGSPQTGMFOLK-HZPDHXFCSA-N 0 3 311.347 3.097 20 30 DGEDHN Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)cc(C)n1 ZINC001621172455 1193812470 /nfs/dbraw/zinc/81/24/70/1193812470.db2.gz JKEKVFYVFZCUIO-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c1 ZINC001629153010 1194216881 /nfs/dbraw/zinc/21/68/81/1194216881.db2.gz OZLTVLDVZLAUFN-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001635035971 1194529432 /nfs/dbraw/zinc/52/94/32/1194529432.db2.gz LPYHRORFMGEVLT-KBAYOESNSA-N 0 3 319.493 3.437 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC001635195258 1194536967 /nfs/dbraw/zinc/53/69/67/1194536967.db2.gz INRGISJEBTVHEA-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001635752969 1194569369 /nfs/dbraw/zinc/56/93/69/1194569369.db2.gz APWUQZBFSASRHY-UHFFFAOYSA-N 0 3 302.462 3.239 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)cc2ccoc21 ZINC001635762046 1194570405 /nfs/dbraw/zinc/57/04/05/1194570405.db2.gz NIVABXVORITLQZ-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001635757744 1194570616 /nfs/dbraw/zinc/57/06/16/1194570616.db2.gz KIGPGQKKKAVVRX-ZWKOTPCHSA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(C)CC1(C)C)c1ccccc1 ZINC001639138376 1194752767 /nfs/dbraw/zinc/75/27/67/1194752767.db2.gz AFGPYKNTCVPFOR-DLBZAZTESA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1c(C)oc2ccccc21 ZINC001640015983 1194791184 /nfs/dbraw/zinc/79/11/84/1194791184.db2.gz LSESHSOHMLAMNN-UHFFFAOYSA-N 0 3 314.429 3.250 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001640016081 1194791430 /nfs/dbraw/zinc/79/14/30/1194791430.db2.gz OUQCQXSPWJDQAZ-INIZCTEOSA-N 0 3 302.462 3.319 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1)C2 ZINC001640233345 1194803252 /nfs/dbraw/zinc/80/32/52/1194803252.db2.gz UBSCJDIGBMBZCX-FLIBITNWSA-N 0 3 324.468 3.446 20 30 DGEDHN N#Cc1cc(F)c(C(F)(F)F)cc1N[C@@H]1CCN(C2CC2)C1 ZINC001642144010 1194890236 /nfs/dbraw/zinc/89/02/36/1194890236.db2.gz YOZOLYDYWSJLIY-SNVBAGLBSA-N 0 3 313.298 3.365 20 30 DGEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1ncccc1C#N ZINC001642957765 1194956307 /nfs/dbraw/zinc/95/63/07/1194956307.db2.gz HPJIFGZTKKHFLM-LJQANCHMSA-N 0 3 320.440 3.300 20 30 DGEDHN C#CCCCCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001643253089 1195008605 /nfs/dbraw/zinc/00/86/05/1195008605.db2.gz BBRJHSMHDQARSA-OALUTQOASA-N 0 3 303.421 3.370 20 30 DGEDHN Cc1nc(N2CCN[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC001643327377 1195015292 /nfs/dbraw/zinc/01/52/92/1195015292.db2.gz QYBXSCHTEQFZJZ-INIZCTEOSA-N 0 3 312.804 3.066 20 30 DGEDHN N#CCc1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001644291877 1195096664 /nfs/dbraw/zinc/09/66/64/1195096664.db2.gz QYZCZMYIYJLJAE-HXUWFJFHSA-N 0 3 316.408 3.480 20 30 DGEDHN C#CCOCCN(Cc1cccc(Br)c1)C1CC1 ZINC001644459953 1195110018 /nfs/dbraw/zinc/11/00/18/1195110018.db2.gz DWVQUMXLNFBFSI-UHFFFAOYSA-N 0 3 308.219 3.063 20 30 DGEDHN C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN1C1CCCC1 ZINC001644601467 1195119899 /nfs/dbraw/zinc/11/98/99/1195119899.db2.gz SJOGWIOZDOCZGO-INIZCTEOSA-N 0 3 317.477 3.326 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(C)c2)C1 ZINC001644688870 1195126958 /nfs/dbraw/zinc/12/69/58/1195126958.db2.gz DSZWCTCFZBRQHY-WOJBJXKFSA-N 0 3 324.468 3.335 20 30 DGEDHN C#CCOCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001645048578 1195153432 /nfs/dbraw/zinc/15/34/32/1195153432.db2.gz BBQABJPUMJUUCY-SNVBAGLBSA-N 0 3 303.736 3.242 20 30 DGEDHN COCC#CCN[C@@H]1c2cccc(Br)c2CC1(C)C ZINC001645881086 1195205430 /nfs/dbraw/zinc/20/54/30/1195205430.db2.gz LYQNAOKGKQWPCU-OAHLLOKOSA-N 0 3 322.246 3.312 20 30 DGEDHN N#Cc1ccnc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC001646413169 1195228231 /nfs/dbraw/zinc/22/82/31/1195228231.db2.gz KVHJHWKUXPZQMW-FQEVSTJZSA-N 0 3 321.424 3.116 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001648290313 1195289485 /nfs/dbraw/zinc/28/94/85/1195289485.db2.gz HLEXZGBKZABXNF-RHSMWYFYSA-N 0 3 318.848 3.253 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001648290315 1195289892 /nfs/dbraw/zinc/28/98/92/1195289892.db2.gz HLEXZGBKZABXNF-YOEHRIQHSA-N 0 3 318.848 3.253 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C1 ZINC001649461720 1195344879 /nfs/dbraw/zinc/34/48/79/1195344879.db2.gz GOTIVWDBJSJVOQ-NEPJUHHUSA-N 0 3 305.249 3.098 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN[C@@H](c3ccccc3)C2)c1C#N ZINC001651438689 1195461963 /nfs/dbraw/zinc/46/19/63/1195461963.db2.gz PKTIEUGDQKGEBO-MRXNPFEDSA-N 0 3 312.804 3.066 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC001651474870 1195467445 /nfs/dbraw/zinc/46/74/45/1195467445.db2.gz IJDAVUDERZPOSX-LLVKDONJSA-N 0 3 304.217 3.419 20 30 DGEDHN Cc1nc(N[C@H](C)CN2CCC(C)CC2)c(Cl)cc1C#N ZINC001652044388 1195540584 /nfs/dbraw/zinc/54/05/84/1195540584.db2.gz WPISKPSZPFEQOY-GFCCVEGCSA-N 0 3 306.841 3.447 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1c1snc(Cl)c1C#N ZINC001652317672 1195581306 /nfs/dbraw/zinc/58/13/06/1195581306.db2.gz CKZXCSHMROPJIY-YPMHNXCESA-N 0 3 324.881 3.367 20 30 DGEDHN CCCCCCCCCN1CCN(C(C)(C)C(=O)OC)CC1 ZINC001653362672 1195713931 /nfs/dbraw/zinc/71/39/31/1195713931.db2.gz MCLBURMNCYZXBH-UHFFFAOYSA-N 0 3 312.498 3.306 20 30 DGEDHN COc1ccc(C[C@@H]2CCN2CCOc2ccccc2C#N)cc1 ZINC001653547506 1195733331 /nfs/dbraw/zinc/73/33/31/1195733331.db2.gz ZUGAFNCWRGKSTB-SFHVURJKSA-N 0 3 322.408 3.263 20 30 DGEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)CCC2 ZINC001653971084 1195763450 /nfs/dbraw/zinc/76/34/50/1195763450.db2.gz LXYYSZPVQJLPOJ-CQSZACIVSA-N 0 3 319.408 3.336 20 30 DGEDHN CN1CCN(Cc2ccc(Cl)cc2C#N)C[C@H]1C(C)(C)C ZINC001654075325 1195772619 /nfs/dbraw/zinc/77/26/19/1195772619.db2.gz NLAOLUYHGCHUNV-INIZCTEOSA-N 0 3 305.853 3.374 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCN(CC23CCC(CC2)C3)CC1 ZINC001654543582 1195814434 /nfs/dbraw/zinc/81/44/34/1195814434.db2.gz RTDBWIKHTKIHED-UHFFFAOYSA-N 0 3 313.420 3.400 20 30 DGEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3cc(C#N)ccn3)C2)c1 ZINC001654710391 1195832159 /nfs/dbraw/zinc/83/21/59/1195832159.db2.gz LOVBBDKISVUIKB-SAABIXHNSA-N 0 3 307.397 3.340 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 ZINC001654997508 1195862791 /nfs/dbraw/zinc/86/27/91/1195862791.db2.gz VUDNOWOUDUGDQC-WBVHZDCISA-N 0 3 314.429 3.057 20 30 DGEDHN N#Cc1cncc(CN2CCCC[C@H]2Cc2ccc(O)cc2)c1 ZINC001655066703 1195871161 /nfs/dbraw/zinc/87/11/61/1195871161.db2.gz QCFRGCOTVAVXEA-SFHVURJKSA-N 0 3 307.397 3.256 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc3c(c2)OCCO3)c1 ZINC001656003996 1195986320 /nfs/dbraw/zinc/98/63/20/1195986320.db2.gz KRDBLUMRWDMNPS-UHFFFAOYSA-N 0 3 311.381 3.312 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2ncccc2c1 ZINC001656088043 1195997772 /nfs/dbraw/zinc/99/77/72/1195997772.db2.gz FKNGMMAMQZBPRP-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001656088211 1195997857 /nfs/dbraw/zinc/99/78/57/1195997857.db2.gz IKDCKLBWFYPZOK-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2C[C@H](NCC(=C)Cl)C2)CCCC1 ZINC001656244409 1196023495 /nfs/dbraw/zinc/02/34/95/1196023495.db2.gz DFXFBHSFRMBNJV-SHTZXODSSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001656354115 1196032288 /nfs/dbraw/zinc/03/22/88/1196032288.db2.gz QLCQGCDOXJPNKV-SOUVJXGZSA-N 0 3 324.852 3.319 20 30 DGEDHN CC(C)C#CC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C/Cl)CC2 ZINC001656394004 1196035575 /nfs/dbraw/zinc/03/55/75/1196035575.db2.gz PFGKTOXKKPAEDK-UFNQUYMESA-N 0 3 322.880 3.101 20 30 DGEDHN CCC[C@@H](C)CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC001657041732 1196096055 /nfs/dbraw/zinc/09/60/55/1196096055.db2.gz KISFWKHKZQPYBY-MRXNPFEDSA-N 0 3 300.450 3.292 20 30 DGEDHN C=CC[C@@H](C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001657436465 1196140845 /nfs/dbraw/zinc/14/08/45/1196140845.db2.gz ZWZBKOSTCAHHSX-CABCVRRESA-N 0 3 320.864 3.380 20 30 DGEDHN Cc1ccc(F)cc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001658945033 1196322111 /nfs/dbraw/zinc/32/21/11/1196322111.db2.gz DVECONJFVPCEFR-GOSISDBHSA-N 0 3 324.403 3.477 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)NCCCOC2CCCCC2)C1 ZINC001659352654 1196374484 /nfs/dbraw/zinc/37/44/84/1196374484.db2.gz PVRZHVVFFIYQOB-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCOCCCNCc1ccc(C(F)(F)F)nc1Cl ZINC001659674283 1196404304 /nfs/dbraw/zinc/40/43/04/1196404304.db2.gz JEIGKYRLWSNFGW-UHFFFAOYSA-N 0 3 308.731 3.436 20 30 DGEDHN C=CCCCN(CC)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC001660160031 1196452546 /nfs/dbraw/zinc/45/25/46/1196452546.db2.gz SZJUXLOGXYXUOX-UHFFFAOYSA-N 0 3 307.438 3.164 20 30 DGEDHN C=CCCC1(CNCc2cc(C(=O)OCC)no2)CCCC1 ZINC001660263410 1196463585 /nfs/dbraw/zinc/46/35/85/1196463585.db2.gz LCFZWFRFBCZBAR-UHFFFAOYSA-N 0 3 306.406 3.468 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001660326170 1196471665 /nfs/dbraw/zinc/47/16/65/1196471665.db2.gz CWLLCRCNSOQUEZ-LJQANCHMSA-N 0 3 314.473 3.278 20 30 DGEDHN O=C1C=COC2(CCN(C[C@@H]3CC4(CO3)CCCCC4)CC2)C1 ZINC001660399032 1196480317 /nfs/dbraw/zinc/48/03/17/1196480317.db2.gz NIEMQXUPKRKNCN-KRWDZBQOSA-N 0 3 319.445 3.064 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2(C(F)(F)F)CCCC2)CC1 ZINC001660798210 1196526335 /nfs/dbraw/zinc/52/63/35/1196526335.db2.gz OZZSABJYWBGWQZ-UHFFFAOYSA-N 0 3 318.383 3.218 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001660819024 1196529980 /nfs/dbraw/zinc/52/99/80/1196529980.db2.gz YVGZTXYQYHVSST-QZTJIDSGSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001660965950 1196547444 /nfs/dbraw/zinc/54/74/44/1196547444.db2.gz MCARBNUJXBTFBH-HNAYVOBHSA-N 0 3 312.457 3.393 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001660984106 1196549935 /nfs/dbraw/zinc/54/99/35/1196549935.db2.gz MOCJLOJQDRFTMM-GOSISDBHSA-N 0 3 312.457 3.160 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](NCc1sccc1Cl)C1CC1 ZINC001661128004 1196570902 /nfs/dbraw/zinc/57/09/02/1196570902.db2.gz VLDQUILZLQSWHU-CQSZACIVSA-N 0 3 324.877 3.045 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CN(C)Cc2ocnc2C)C1 ZINC001661220897 1196584271 /nfs/dbraw/zinc/58/42/71/1196584271.db2.gz KHXPGMHJWMAGEK-MRXNPFEDSA-N 0 3 319.449 3.010 20 30 DGEDHN CCC(=CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)CC ZINC001661408478 1196602853 /nfs/dbraw/zinc/60/28/53/1196602853.db2.gz ARUQIGUMNRMBCO-WGSAOQKQSA-N 0 3 310.441 3.021 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001661462774 1196608523 /nfs/dbraw/zinc/60/85/23/1196608523.db2.gz DGTRHTNTAYHCKT-JYJNAYRXSA-N 0 3 316.420 3.317 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001661589060 1196622200 /nfs/dbraw/zinc/62/22/00/1196622200.db2.gz GXZMZVQPIWRQCW-YUELXQCFSA-N 0 3 320.383 3.066 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001661601827 1196623061 /nfs/dbraw/zinc/62/30/61/1196623061.db2.gz OWDAUKSBUAPIQF-OKILXGFUSA-N 0 3 321.852 3.074 20 30 DGEDHN C[C@]1(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC=CCC1 ZINC001661602238 1196623923 /nfs/dbraw/zinc/62/39/23/1196623923.db2.gz VVPWWIKZFWEUIU-ZVDOUQERSA-N 0 3 322.452 3.021 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001661742961 1196638879 /nfs/dbraw/zinc/63/88/79/1196638879.db2.gz HLMHMXLXTPAUJN-QZTJIDSGSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001661744202 1196639865 /nfs/dbraw/zinc/63/98/65/1196639865.db2.gz WHHRORNGGWNCCK-RTBURBONSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001661747860 1196640333 /nfs/dbraw/zinc/64/03/33/1196640333.db2.gz IOYGMAFPWPWMQR-MJGOQNOKSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001661751894 1196640576 /nfs/dbraw/zinc/64/05/76/1196640576.db2.gz ABPSPYVJSOHYFL-MSOLQXFVSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(CC(C)C)CCC1 ZINC001661871223 1196655639 /nfs/dbraw/zinc/65/56/39/1196655639.db2.gz NDUPLPIYPHLVDS-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1ccc(F)cc1F ZINC001661909797 1196661645 /nfs/dbraw/zinc/66/16/45/1196661645.db2.gz IKOXGPOQMOAHCQ-INIZCTEOSA-N 0 3 322.399 3.402 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001661989530 1196672157 /nfs/dbraw/zinc/67/21/57/1196672157.db2.gz OMHIROKPXMRWCE-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001662834540 1196759313 /nfs/dbraw/zinc/75/93/13/1196759313.db2.gz XHRGAXVHFGPIEZ-WUTDNEBXSA-N 0 3 324.468 3.282 20 30 DGEDHN C[C@H](CCNC(=O)CC(C)(C)C)NCc1cc(C#N)ccc1F ZINC001662893445 1196768940 /nfs/dbraw/zinc/76/89/40/1196768940.db2.gz OJBDBYAQVRUKDR-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN CO[C@@]1(C)C[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC001662922888 1196772759 /nfs/dbraw/zinc/77/27/59/1196772759.db2.gz ZWKSGBSYSCSROY-UXHICEINSA-N 0 3 322.408 3.404 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2cc[nH]c21 ZINC001662980318 1196779545 /nfs/dbraw/zinc/77/95/45/1196779545.db2.gz WFPYDMRLORQDRE-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC001663013858 1196783598 /nfs/dbraw/zinc/78/35/98/1196783598.db2.gz GNHSWLLMBSDXFB-CYBMUJFWSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C[C@H](C(=O)NCCC[C@@H]1CCCN1CCF)c1ccccc1 ZINC001663123730 1196794841 /nfs/dbraw/zinc/79/48/41/1196794841.db2.gz JVGKVPGPWWFKOC-MSOLQXFVSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1coc2cc(C)c(C)cc12 ZINC001663239623 1196817889 /nfs/dbraw/zinc/81/78/89/1196817889.db2.gz IVCYTBCLWQDUHH-UHFFFAOYSA-N 0 3 300.402 3.287 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001663249902 1196818709 /nfs/dbraw/zinc/81/87/09/1196818709.db2.gz XBNSLWBNUZNYRP-QGZVFWFLSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)CCc2ccccc2)CCCC1 ZINC001663346551 1196841365 /nfs/dbraw/zinc/84/13/65/1196841365.db2.gz WGVGZXPTCUSPAS-UHFFFAOYSA-N 0 3 314.473 3.414 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001663416019 1196862326 /nfs/dbraw/zinc/86/23/26/1196862326.db2.gz YRTAFQANLNDORM-UHFFFAOYSA-N 0 3 318.436 3.266 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001663532455 1196898543 /nfs/dbraw/zinc/89/85/43/1196898543.db2.gz JXCOQPMHMBRCKZ-MOPGFXCFSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CCOC(C)C)CCCC1 ZINC001663552205 1196903113 /nfs/dbraw/zinc/90/31/13/1196903113.db2.gz GJZQKXGLCUGLGL-QGZVFWFLSA-N 0 3 322.493 3.129 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(F)cc1 ZINC001663660806 1196922639 /nfs/dbraw/zinc/92/26/39/1196922639.db2.gz AHKJYZGSUKSTMZ-UHFFFAOYSA-N 0 3 318.436 3.203 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC001663710032 1196932891 /nfs/dbraw/zinc/93/28/91/1196932891.db2.gz CWHDVJCMBUXRQT-OLZOCXBDSA-N 0 3 319.836 3.141 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC001663709933 1196933221 /nfs/dbraw/zinc/93/32/21/1196933221.db2.gz 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C=CCCN1CC[C@H](N(CCC)C(=O)c2occ3c2CCC3)C1 ZINC001664673923 1197030939 /nfs/dbraw/zinc/03/09/39/1197030939.db2.gz RZSABMSKFOOLHY-INIZCTEOSA-N 0 3 316.445 3.271 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(C)cc2F)C1 ZINC001664683819 1197035615 /nfs/dbraw/zinc/03/56/15/1197035615.db2.gz RAJSPOLRSDJIRW-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001664825370 1197063934 /nfs/dbraw/zinc/06/39/34/1197063934.db2.gz ZCQWOYHHGSESDC-LJQANCHMSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCc2ccccc2CC)C1 ZINC001665563838 1197151472 /nfs/dbraw/zinc/15/14/72/1197151472.db2.gz QEVQERFXZHGZGY-GOSISDBHSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665574277 1197154246 /nfs/dbraw/zinc/15/42/46/1197154246.db2.gz WHMRTUAJNXTREI-IEBWSBKVSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCc2ccsc2)C1 ZINC001665642305 1197163500 /nfs/dbraw/zinc/16/35/00/1197163500.db2.gz QUHRUQBINPUEIK-MRXNPFEDSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001665691493 1197173462 /nfs/dbraw/zinc/17/34/62/1197173462.db2.gz LZYDWHPYIQJEDA-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001665828237 1197203519 /nfs/dbraw/zinc/20/35/19/1197203519.db2.gz LEOLVJLZQOWTKY-BLMOFCDVSA-N 0 3 310.441 3.045 20 30 DGEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)C1=CCCC1)C1CC1 ZINC001665990463 1197224897 /nfs/dbraw/zinc/22/48/97/1197224897.db2.gz FUQKRIFSGLXRTK-NRFANRHFSA-N 0 3 322.452 3.023 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cccnc2)CCCC[C@H]1C ZINC001666043169 1197230133 /nfs/dbraw/zinc/23/01/33/1197230133.db2.gz JGVIAAZFSILPME-DYVFJYSZSA-N 0 3 321.852 3.102 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CC2CCC1CC2)C1CC1 ZINC001666044553 1197230789 /nfs/dbraw/zinc/23/07/89/1197230789.db2.gz SHBGABDFLXNSIG-TXVKYFBMSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001666135664 1197238841 /nfs/dbraw/zinc/23/88/41/1197238841.db2.gz YUFGBZQJEFOYTG-CQSZACIVSA-N 0 3 310.825 3.172 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(C)(C)CC(C)C)cc1 ZINC001666347337 1197254419 /nfs/dbraw/zinc/25/44/19/1197254419.db2.gz JHSWJVGGBOKFCL-UHFFFAOYSA-N 0 3 314.473 3.488 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001666834416 1197288927 /nfs/dbraw/zinc/28/89/27/1197288927.db2.gz HUZIEWNJKSBOIV-UHFFFAOYSA-N 0 3 304.478 3.479 20 30 DGEDHN CC(C)=CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001666850163 1197290668 /nfs/dbraw/zinc/29/06/68/1197290668.db2.gz VRDRCOUBPWMOSN-HNNXBMFYSA-N 0 3 318.848 3.094 20 30 DGEDHN CC[C@H](F)CNC[C@H](NC(=O)C#CC(C)(C)C)C1CCCCC1 ZINC001667133969 1197322851 /nfs/dbraw/zinc/32/28/51/1197322851.db2.gz COXNRERNAYWZLA-IRXDYDNUSA-N 0 3 324.484 3.439 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001667257293 1197333254 /nfs/dbraw/zinc/33/32/54/1197333254.db2.gz FMOYGYXKZPLOSA-OAHLLOKOSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001667272471 1197334161 /nfs/dbraw/zinc/33/41/61/1197334161.db2.gz DHTFCDKWEDDYBC-CQSZACIVSA-N 0 3 316.848 3.240 20 30 DGEDHN CCc1ccccc1CN(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001667561549 1197362827 /nfs/dbraw/zinc/36/28/27/1197362827.db2.gz FDUFJEDIPKPFLU-UHFFFAOYSA-N 0 3 314.473 3.189 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN(C)Cc2cccc(C)c2)cc1 ZINC001667608216 1197367271 /nfs/dbraw/zinc/36/72/71/1197367271.db2.gz XJTSQYTZRCHQHI-UHFFFAOYSA-N 0 3 320.436 3.180 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)CCc1ccccc1 ZINC001667619459 1197370355 /nfs/dbraw/zinc/37/03/55/1197370355.db2.gz OPGAFEZSRVFVHD-LJQANCHMSA-N 0 3 302.462 3.222 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1csc(C)n1 ZINC001667743666 1197384802 /nfs/dbraw/zinc/38/48/02/1197384802.db2.gz JLGKSDLWFCFJQF-UKRRQHHQSA-N 0 3 321.490 3.038 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001668040169 1197397185 /nfs/dbraw/zinc/39/71/85/1197397185.db2.gz XXCHHALGOJUISF-KBPBESRZSA-N 0 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C=CCN[C@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1CC ZINC001672177609 1197594603 /nfs/dbraw/zinc/59/46/03/1197594603.db2.gz YTDLZKRJMLKIKQ-GOSISDBHSA-N 0 3 312.457 3.372 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@@H](C=C)CC)C2)CC1 ZINC001672172017 1197594955 /nfs/dbraw/zinc/59/49/55/1197594955.db2.gz VUFMBMVXZAGMHN-HKUYNNGSSA-N 0 3 316.489 3.173 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001672814617 1197623916 /nfs/dbraw/zinc/62/39/16/1197623916.db2.gz ATMXUVACMNRANP-KBPBESRZSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccn(CC)c2C)C1 ZINC001672847410 1197625302 /nfs/dbraw/zinc/62/53/02/1197625302.db2.gz YXUDSZPZJOLSOG-HNNXBMFYSA-N 0 3 323.868 3.011 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@H](C)CCC(C)(C)C)C2)CC1 ZINC001673021511 1197635121 /nfs/dbraw/zinc/63/51/21/1197635121.db2.gz YTOJVFHPWNVSPP-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC001674280730 1197757530 /nfs/dbraw/zinc/75/75/30/1197757530.db2.gz XEGWHBVBZQUXTM-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001674420110 1197770439 /nfs/dbraw/zinc/77/04/39/1197770439.db2.gz SAJYXYRZLLYJJA-UYAOXDASSA-N 0 3 324.468 3.208 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(CC)CC ZINC001674416146 1197770864 /nfs/dbraw/zinc/77/08/64/1197770864.db2.gz MBXKEOWMKWUWBO-QZTJIDSGSA-N 0 3 300.446 3.371 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H]1CN(C)C/C=C\c1ccccc1 ZINC001674451191 1197778184 /nfs/dbraw/zinc/77/81/84/1197778184.db2.gz ZMGBAKYQKXYTGS-QRGKHIHXSA-N 0 3 324.468 3.282 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001674474440 1197782679 /nfs/dbraw/zinc/78/26/79/1197782679.db2.gz BODKTONDZLQJTL-MJGOQNOKSA-N 0 3 322.493 3.104 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)CC(C2CC2)C2CC2)C1 ZINC001674612796 1197802298 /nfs/dbraw/zinc/80/22/98/1197802298.db2.gz YMAXIZWRIQWZAG-UHFFFAOYSA-N 0 3 310.869 3.050 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001674624505 1197808015 /nfs/dbraw/zinc/80/80/15/1197808015.db2.gz BXBYDYIYWAGGGP-CHWSQXEVSA-N 0 3 307.463 3.039 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001674653498 1197820539 /nfs/dbraw/zinc/82/05/39/1197820539.db2.gz KXTSAJCZHSZYQK-HZPDHXFCSA-N 0 3 318.436 3.311 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001674667172 1197828382 /nfs/dbraw/zinc/82/83/82/1197828382.db2.gz OYCAHBXEXMQXQH-CHWSQXEVSA-N 0 3 321.490 3.429 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001674672755 1197829232 /nfs/dbraw/zinc/82/92/32/1197829232.db2.gz IAJCBKPDWUGLQD-QWHCGFSZSA-N 0 3 309.841 3.074 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674723187 1197847878 /nfs/dbraw/zinc/84/78/78/1197847878.db2.gz WJNNJMLGFAOPTE-QWHCGFSZSA-N 0 3 319.424 3.116 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ncccc1CC ZINC001674840383 1197889326 /nfs/dbraw/zinc/88/93/26/1197889326.db2.gz YAUHVHRKWPVXBH-UHFFFAOYSA-N 0 3 323.868 3.084 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001675048882 1197978674 /nfs/dbraw/zinc/97/86/74/1197978674.db2.gz HAXFKXNLRLHLMT-RDJZCZTQSA-N 0 3 300.446 3.119 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001675201045 1198005181 /nfs/dbraw/zinc/00/51/81/1198005181.db2.gz ZJFKHGDBIODXHR-KRWDZBQOSA-N 0 3 303.450 3.117 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC001675284584 1198036137 /nfs/dbraw/zinc/03/61/37/1198036137.db2.gz DZUXSSHUBZUKKK-AWEZNQCLSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001675369903 1198055526 /nfs/dbraw/zinc/05/55/26/1198055526.db2.gz VRFUGFRCKISAKC-GJZGRUSLSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCCc2ccccc2)C(C)(C)C1 ZINC001675468620 1198074645 /nfs/dbraw/zinc/07/46/45/1198074645.db2.gz YCHVNZRHPXDUBY-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC(C)(C)c2ccccc2)C(C)(C)C1 ZINC001675486437 1198077640 /nfs/dbraw/zinc/07/76/40/1198077640.db2.gz MAASCARKXNKFOJ-QGZVFWFLSA-N 0 3 314.473 3.367 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CCCCC)C(C)(C)C1 ZINC001675484756 1198078385 /nfs/dbraw/zinc/07/83/85/1198078385.db2.gz BEJHYTUOZPJMLF-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](CCCC)C(C)C)C(C)(C)C1 ZINC001675485469 1198079068 /nfs/dbraw/zinc/07/90/68/1198079068.db2.gz DTLPRLFZOOSWMK-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCC(F)F)C[C@H]2C1 ZINC001675637023 1198099439 /nfs/dbraw/zinc/09/94/39/1198099439.db2.gz YVUZHIBFPYPQDE-AVGNSLFASA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001675785338 1198141775 /nfs/dbraw/zinc/14/17/75/1198141775.db2.gz CYFVTDWLAVZTIA-QAQDUYKDSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001676005450 1198189077 /nfs/dbraw/zinc/18/90/77/1198189077.db2.gz KGRCFUAEZQJHQH-BHYGNILZSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(F)c1 ZINC001676355325 1198299708 /nfs/dbraw/zinc/29/97/08/1198299708.db2.gz LKBHLNHWDZWSFW-CQSZACIVSA-N 0 3 322.424 3.127 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001676365165 1198302482 /nfs/dbraw/zinc/30/24/82/1198302482.db2.gz ULPSEOLMZVZESR-KBAYOESNSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2ccccc2cc1F ZINC001676382126 1198307513 /nfs/dbraw/zinc/30/75/13/1198307513.db2.gz RSJCTHOZBDJSJO-CQSZACIVSA-N 0 3 312.388 3.052 20 30 DGEDHN CC/C(C)=C\C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001676728730 1198374302 /nfs/dbraw/zinc/37/43/02/1198374302.db2.gz FKEDTNKSZUQIIK-PISUUVGWSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cccnc2C)C[C@@H]1C ZINC001676729191 1198375083 /nfs/dbraw/zinc/37/50/83/1198375083.db2.gz KXCQWJSOGTXILQ-YOEHRIQHSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2c(C)nsc2C)C[C@H]1C ZINC001676735563 1198377028 /nfs/dbraw/zinc/37/70/28/1198377028.db2.gz MOFJDIVHXLNNRK-DOMZBBRYSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(Cl)nc2)C[C@H]1C ZINC001676757171 1198381848 /nfs/dbraw/zinc/38/18/48/1198381848.db2.gz VSGAYWBPPDKSLQ-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCCCC(C)C)CCC[C@H]12 ZINC001676816245 1198398763 /nfs/dbraw/zinc/39/87/63/1198398763.db2.gz RBIQTPWISYTOFC-PKOBYXMFSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001676860357 1198416226 /nfs/dbraw/zinc/41/62/26/1198416226.db2.gz SUYXIRIVVNZVGC-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC=C)CCCC2)[C@H]1C ZINC001676898798 1198428421 /nfs/dbraw/zinc/42/84/21/1198428421.db2.gz RKNRPGDJRZTNQD-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2csc(CC)n2)C1 ZINC001676909730 1198431590 /nfs/dbraw/zinc/43/15/90/1198431590.db2.gz GFSAQVAUNGGZGK-KGLIPLIRSA-N 0 3 321.490 3.046 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNCc2nc(C)cs2)C1 ZINC001676930774 1198438970 /nfs/dbraw/zinc/43/89/70/1198438970.db2.gz AJKBTJKVNCSHPI-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(F)=C2CCCC2)CC1 ZINC001677328255 1198515969 /nfs/dbraw/zinc/51/59/69/1198515969.db2.gz LKMVODSNLFUHNK-CQSZACIVSA-N 0 3 306.425 3.024 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C(CCC)CCC)CC1 ZINC001677363923 1198522744 /nfs/dbraw/zinc/52/27/44/1198522744.db2.gz LGAIMSPAFBXDTE-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCC2CC2)CC[C@@H]1C(F)(F)F ZINC001677376578 1198525630 /nfs/dbraw/zinc/52/56/30/1198525630.db2.gz WQLITBILTDUKJK-UONOGXRCSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@H](C)CC(C)(C)C)CC2)CC1 ZINC001677467590 1198541152 /nfs/dbraw/zinc/54/11/52/1198541152.db2.gz OSENRFYURGOYIW-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001681678735 1199060023 /nfs/dbraw/zinc/06/00/23/1199060023.db2.gz OZGXDSWYOURQML-SJORKVTESA-N 0 3 321.509 3.236 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001681712764 1199068806 /nfs/dbraw/zinc/06/88/06/1199068806.db2.gz BACDEHFGQSBAFD-ZWKOTPCHSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)CCCC1 ZINC001682501357 1199166585 /nfs/dbraw/zinc/16/65/85/1199166585.db2.gz XNDQDPBTQGBZOD-JKSUJKDBSA-N 0 3 305.466 3.001 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001683111103 1199235910 /nfs/dbraw/zinc/23/59/10/1199235910.db2.gz GCKKVTZMKRHVMF-YJBOKZPZSA-N 0 3 317.477 3.362 20 30 DGEDHN CC[C@@H](CC#N)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400734410 1199358407 /nfs/dbraw/zinc/35/84/07/1199358407.db2.gz RJQZRAUGSNZNMV-HIFRSBDPSA-N 0 3 309.454 3.304 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400734415 1199359123 /nfs/dbraw/zinc/35/91/23/1199359123.db2.gz RJQZRAUGSNZNMV-ZFWWWQNUSA-N 0 3 309.454 3.304 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)CC(F)(F)F ZINC001688881753 1199940578 /nfs/dbraw/zinc/94/05/78/1199940578.db2.gz ZMWAYPCHSJVNHF-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001688890801 1199946099 /nfs/dbraw/zinc/94/60/99/1199946099.db2.gz CSBFVKZWFRRAMY-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001688894536 1199948293 /nfs/dbraw/zinc/94/82/93/1199948293.db2.gz ZVUPOMUUNHGJEI-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001688897078 1199948836 /nfs/dbraw/zinc/94/88/36/1199948836.db2.gz POCWPEOWPCEVNI-DZGCQCFKSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001688897080 1199949707 /nfs/dbraw/zinc/94/97/07/1199949707.db2.gz POCWPEOWPCEVNI-UKRRQHHQSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001688898644 1199949920 /nfs/dbraw/zinc/94/99/20/1199949920.db2.gz ZLFXFPYPGWKZQK-KRWDZBQOSA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001688904167 1199952818 /nfs/dbraw/zinc/95/28/18/1199952818.db2.gz JTZLNVUMTJHDSY-OTVXOJSOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccsc1C)C(C)C ZINC001753838462 1199987260 /nfs/dbraw/zinc/98/72/60/1199987260.db2.gz CAUWXHGEQVYCQQ-CQSZACIVSA-N 0 3 314.882 3.082 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C)cc1OC)C(C)C ZINC001753844054 1199992951 /nfs/dbraw/zinc/99/29/51/1199992951.db2.gz LFBVEHLNWBYTGC-OAHLLOKOSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)[C@H](C)c2ccccc2)C1 ZINC001753863023 1200012424 /nfs/dbraw/zinc/01/24/24/1200012424.db2.gz NEQGHDGJUXGMNE-MRXNPFEDSA-N 0 3 300.446 3.494 20 30 DGEDHN C[C@@H]1CCN(C(=O)C2CCC2)[C@H](CNCC#Cc2ccccc2)C1 ZINC001689077989 1200020190 /nfs/dbraw/zinc/02/01/90/1200020190.db2.gz PPBANIBYPKIQGF-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1csc(CC)n1 ZINC001753879491 1200029667 /nfs/dbraw/zinc/02/96/67/1200029667.db2.gz FXOXLSKGQDUIIR-UKRRQHHQSA-N 0 3 321.490 3.046 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C=C(CC)CC)C(C)(C)[C@H]21 ZINC001689141957 1200042598 /nfs/dbraw/zinc/04/25/98/1200042598.db2.gz GEIWSKMZPCCNBO-QRQLOZEOSA-N 0 3 316.489 3.361 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H](CC)CCCC)C[C@@H]2C1 ZINC001689226438 1200062524 /nfs/dbraw/zinc/06/25/24/1200062524.db2.gz UMHQRKIIBJDBRA-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2ncccc2c1 ZINC001753995121 1200063535 /nfs/dbraw/zinc/06/35/35/1200063535.db2.gz HKMHOAILVPXLIQ-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN CC(C)C(=O)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001689256321 1200070108 /nfs/dbraw/zinc/07/01/08/1200070108.db2.gz GAKXNMZBFCDIRM-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001754021013 1200074705 /nfs/dbraw/zinc/07/47/05/1200074705.db2.gz HYOSYQVHBUBRPP-AWEZNQCLSA-N 0 3 308.853 3.201 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001754065423 1200090706 /nfs/dbraw/zinc/09/07/06/1200090706.db2.gz 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/nfs/dbraw/zinc/11/25/81/1200112581.db2.gz QPWKVDXNWPXSPR-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001754318933 1200206418 /nfs/dbraw/zinc/20/64/18/1200206418.db2.gz KVZJKXJMSAMQQZ-SUMWQHHRSA-N 0 3 318.436 3.462 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@H]1CCC ZINC001754381291 1200247809 /nfs/dbraw/zinc/24/78/09/1200247809.db2.gz BMLHUADZOSJGCR-HUUCEWRRSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2ncccc2c1 ZINC001754394135 1200251945 /nfs/dbraw/zinc/25/19/45/1200251945.db2.gz SKJLGPXHIOAIDP-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001754418101 1200257862 /nfs/dbraw/zinc/25/78/62/1200257862.db2.gz VTGFUISGORCBFB-UHFFFAOYSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1CCCc1ccc(C)cc1 ZINC001754475541 1200285611 /nfs/dbraw/zinc/28/56/11/1200285611.db2.gz QDSFWPHHALFOOI-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccccc1CC(C)(C)C ZINC001689809356 1200291913 /nfs/dbraw/zinc/29/19/13/1200291913.db2.gz RVJJJFGWATYDMX-UHFFFAOYSA-N 0 3 314.473 3.350 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001689886025 1200314118 /nfs/dbraw/zinc/31/41/18/1200314118.db2.gz DZQOZQGJRUZERJ-MJGOQNOKSA-N 0 3 314.473 3.278 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](CC)CC(F)(F)F ZINC001754501147 1200317161 /nfs/dbraw/zinc/31/71/61/1200317161.db2.gz UUSBJIVFMBBGKK-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001754501220 1200317471 /nfs/dbraw/zinc/31/74/71/1200317471.db2.gz VPDQFUUXAPTPKI-CQSZACIVSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001754503174 1200320515 /nfs/dbraw/zinc/32/05/15/1200320515.db2.gz VIJMPHHOWNEMKL-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001754504481 1200321572 /nfs/dbraw/zinc/32/15/72/1200321572.db2.gz HFTZBGBHUGAKQX-BBRMVZONSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001754504444 1200321637 /nfs/dbraw/zinc/32/16/37/1200321637.db2.gz GIRDZGXYQWAOBI-SJLPKXTDSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@H](C#N)C(=O)NCCCN([C@H](C)c1ccccc1F)C1CC1 ZINC001689979085 1200353861 /nfs/dbraw/zinc/35/38/61/1200353861.db2.gz PYANHBDWKVSWFB-ZIAGYGMSSA-N 0 3 317.408 3.017 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(C)c2ccccc12)C1CC1 ZINC001690007300 1200363682 /nfs/dbraw/zinc/36/36/82/1200363682.db2.gz RBWMUUMZXRPQCI-UHFFFAOYSA-N 0 3 320.436 3.366 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001754558455 1200363665 /nfs/dbraw/zinc/36/36/65/1200363665.db2.gz SSFJTGWUHCGNPQ-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCCc2ccsc2)CC1 ZINC001690023197 1200371154 /nfs/dbraw/zinc/37/11/54/1200371154.db2.gz IIDIOLBHHWGNQH-UHFFFAOYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cnoc2CC)C1 ZINC001690046476 1200382750 /nfs/dbraw/zinc/38/27/50/1200382750.db2.gz KTMRDSKCRHLMGY-HNNXBMFYSA-N 0 3 319.449 3.178 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001690113120 1200407264 /nfs/dbraw/zinc/40/72/64/1200407264.db2.gz ZRTFMPBFMOAPGR-PKOBYXMFSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Cl)CNC[C@H](NC(=O)c1ccccc1O)C1CCCC1 ZINC001754647705 1200414731 /nfs/dbraw/zinc/41/47/31/1200414731.db2.gz SEASLXUBKDPWBE-HNNXBMFYSA-N 0 3 322.836 3.023 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H](CNCCF)C1CCCC1)c1ccccc1 ZINC001754656902 1200421605 /nfs/dbraw/zinc/42/16/05/1200421605.db2.gz WSGNZYGJNRVSIM-MSOLQXFVSA-N 0 3 318.436 3.190 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)CCC)C2 ZINC001754661112 1200422640 /nfs/dbraw/zinc/42/26/40/1200422640.db2.gz WYOBOPOYCXZELY-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1cc(C)ns1)C1CC1 ZINC001690172045 1200432777 /nfs/dbraw/zinc/43/27/77/1200432777.db2.gz WZAUCWGUBSDCDI-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001690187295 1200441435 /nfs/dbraw/zinc/44/14/35/1200441435.db2.gz QHUQWDPQAFVGOM-KXKDPZRNSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C1CC1)C1CC1 ZINC001690213549 1200457430 /nfs/dbraw/zinc/45/74/30/1200457430.db2.gz FFHUVSDECCGWJT-CALCHBBNSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2nccc3ccccc32)C1 ZINC001754730747 1200475653 /nfs/dbraw/zinc/47/56/53/1200475653.db2.gz YBCUUONYWAYPGQ-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001754733718 1200479423 /nfs/dbraw/zinc/47/94/23/1200479423.db2.gz OHVOHSWCAHBZHW-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C#CCC1(C(=O)NC[C@]2(C)CCCN(CC=C)C2)CCCCC1 ZINC001754734966 1200480122 /nfs/dbraw/zinc/48/01/22/1200480122.db2.gz QEQCNKGBLBTVKJ-IBGZPJMESA-N 0 3 316.489 3.365 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H]1CN(CC)CCC1(F)F)c1ccccc1 ZINC001754745194 1200484499 /nfs/dbraw/zinc/48/44/99/1200484499.db2.gz VQOSDNHLAWEPKT-HOTGVXAUSA-N 0 3 322.399 3.050 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(C)CC1)c1ccccc1CC ZINC001754786329 1200489321 /nfs/dbraw/zinc/48/93/21/1200489321.db2.gz XBPBNVGALYRVIQ-QGZVFWFLSA-N 0 3 300.446 3.372 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001754786261 1200489369 /nfs/dbraw/zinc/48/93/69/1200489369.db2.gz WHTXGGJPJFBBOM-VVQNAYLHSA-N 0 3 322.880 3.292 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2ncc(C)s2)C1 ZINC001754800249 1200496898 /nfs/dbraw/zinc/49/68/98/1200496898.db2.gz STDSZFGKLLZOOK-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001690389951 1200533089 /nfs/dbraw/zinc/53/30/89/1200533089.db2.gz FVDNEOGWZCFZPR-RTBURBONSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001754905999 1200533475 /nfs/dbraw/zinc/53/34/75/1200533475.db2.gz SRPJHDYAGMQTOZ-MRXNPFEDSA-N 0 3 310.869 3.458 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccccc1 ZINC001754943741 1200546821 /nfs/dbraw/zinc/54/68/21/1200546821.db2.gz MRTRSIMGTWIMMP-UHFFFAOYSA-N 0 3 306.409 3.072 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](CC)c3ccccc3)C2)CC1 ZINC001754962698 1200561257 /nfs/dbraw/zinc/56/12/57/1200561257.db2.gz LIKZATMUVXOAIO-GOSISDBHSA-N 0 3 324.468 3.128 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001690454721 1200569128 /nfs/dbraw/zinc/56/91/28/1200569128.db2.gz LLRJEPUITPNKIM-ZWOKBUDYSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC[C@@H](C(=O)NCC1(NCC#CC)CCC1)c1ccccc1 ZINC001754993137 1200579100 /nfs/dbraw/zinc/57/91/00/1200579100.db2.gz FPMLJTFYIQEQJX-LJQANCHMSA-N 0 3 324.468 3.388 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#CC ZINC001690490485 1200586900 /nfs/dbraw/zinc/58/69/00/1200586900.db2.gz AQVCZKSSRKKYCR-MSOLQXFVSA-N 0 3 316.489 3.458 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cccnc2C)C1 ZINC001690494614 1200592125 /nfs/dbraw/zinc/59/21/25/1200592125.db2.gz HUIKZRNCDLTUDM-AEFFLSMTSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001690500715 1200595027 /nfs/dbraw/zinc/59/50/27/1200595027.db2.gz BKXQIYVJIOCPFL-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C2(CCc3ccccc3)CC2)CC1 ZINC001755032614 1200596028 /nfs/dbraw/zinc/59/60/28/1200596028.db2.gz RXAIWLPKIZKEAO-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN C[C@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001755115453 1200643330 /nfs/dbraw/zinc/64/33/30/1200643330.db2.gz XNANTHAFPBLJOR-PKOBYXMFSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2ccns2)[C@H](C)C1 ZINC001755159289 1200666678 /nfs/dbraw/zinc/66/66/78/1200666678.db2.gz FWWQMLJIMKXQOK-CABCVRRESA-N 0 3 321.490 3.011 20 30 DGEDHN CN(C/C=C\c1ccccc1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001755192949 1200691001 /nfs/dbraw/zinc/69/10/01/1200691001.db2.gz OJTNGMTXOLECCO-JUIXODQZSA-N 0 3 322.452 3.036 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)c2c1CCC2 ZINC001755202771 1200699718 /nfs/dbraw/zinc/69/97/18/1200699718.db2.gz LIDKYHBANTYCFT-MRXNPFEDSA-N 0 3 312.457 3.206 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)CC1CCCC1 ZINC001755222475 1200712413 /nfs/dbraw/zinc/71/24/13/1200712413.db2.gz DPUHCDFZCLTXGZ-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001755222447 1200712428 /nfs/dbraw/zinc/71/24/28/1200712428.db2.gz DKQBIRMWNRGKID-GJZGRUSLSA-N 0 3 318.848 3.141 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001755231121 1200720362 /nfs/dbraw/zinc/72/03/62/1200720362.db2.gz PVRUGMKDRBPJPU-HMBIXPHWSA-N 0 3 318.848 3.141 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001755294836 1200775374 /nfs/dbraw/zinc/77/53/74/1200775374.db2.gz LQZBKMNPVAFVHG-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001755301726 1200781529 /nfs/dbraw/zinc/78/15/29/1200781529.db2.gz RFZVQXKPMGKATM-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001755320371 1200809304 /nfs/dbraw/zinc/80/93/04/1200809304.db2.gz ZLMUKRYOSBSLHT-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1CCC(F)CC1)c1ccccc1 ZINC001691797889 1200812426 /nfs/dbraw/zinc/81/24/26/1200812426.db2.gz XNTPVXKGQDQWQO-OFLPRAFFSA-N 0 3 304.409 3.148 20 30 DGEDHN CCCC1(C(=O)NC[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001691810741 1200819020 /nfs/dbraw/zinc/81/90/20/1200819020.db2.gz MKMQNOGHTLMLBJ-WGSAOQKQSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001691860887 1200841696 /nfs/dbraw/zinc/84/16/96/1200841696.db2.gz MUYVFNLSSPEHEM-GOSISDBHSA-N 0 3 323.440 3.118 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)C#CC1CC1 ZINC001691884422 1200857631 /nfs/dbraw/zinc/85/76/31/1200857631.db2.gz LQGDGHHUCYIRMU-RHSMWYFYSA-N 0 3 322.880 3.149 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001755368885 1200858844 /nfs/dbraw/zinc/85/88/44/1200858844.db2.gz XJSZTPGNNKDYDL-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN CCCCCC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001691890558 1200861693 /nfs/dbraw/zinc/86/16/93/1200861693.db2.gz MRJQLABLLSQLQJ-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H](C)n2cccc2)C1 ZINC001691942380 1200880573 /nfs/dbraw/zinc/88/05/73/1200880573.db2.gz ZAJBYYQATXHISU-HRCADAONSA-N 0 3 323.868 3.066 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2cncc(C)c2)C1 ZINC001691966000 1200890833 /nfs/dbraw/zinc/89/08/33/1200890833.db2.gz YAUSRMDZMXVJMR-QGZVFWFLSA-N 0 3 315.461 3.027 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)CCCCCC)C[C@]2(C)C1 ZINC001755460733 1200905695 /nfs/dbraw/zinc/90/56/95/1200905695.db2.gz MFXFEKWOKJQRPC-RLLQIKCJSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc(C)c1F ZINC001755500330 1200923804 /nfs/dbraw/zinc/92/38/04/1200923804.db2.gz IJEYMGUMKOEFIR-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CCCN(CC#CC)[C@@H]2C1(C)C ZINC001692138665 1200944824 /nfs/dbraw/zinc/94/48/24/1200944824.db2.gz CGMPJVHZQQTIJX-NXHRZFHOSA-N 0 3 316.489 3.217 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CCCN(CC#CC)[C@H]2C1(C)C ZINC001692138664 1200945667 /nfs/dbraw/zinc/94/56/67/1200945667.db2.gz CGMPJVHZQQTIJX-KBAYOESNSA-N 0 3 316.489 3.217 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC001692143929 1200949005 /nfs/dbraw/zinc/94/90/05/1200949005.db2.gz WQUHFFAHKVHJKJ-CABCVRRESA-N 0 3 321.490 3.391 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(C[C@H](F)CC)C[C@H]2C1 ZINC001692284587 1201003625 /nfs/dbraw/zinc/00/36/25/1201003625.db2.gz ZBGPKDMHIHWRQV-OWCLPIDISA-N 0 3 310.457 3.117 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001692304551 1201009166 /nfs/dbraw/zinc/00/91/66/1201009166.db2.gz RKRMLUJVFZHVPH-SFHVURJKSA-N 0 3 312.457 3.235 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2sc(C)nc2C)C[C@H]1C ZINC001755683620 1201012512 /nfs/dbraw/zinc/01/25/12/1201012512.db2.gz YPNAVGSOGPEHHL-IUODEOHRSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001755694148 1201019890 /nfs/dbraw/zinc/01/98/90/1201019890.db2.gz UHIHNIMMTQFVDT-DYVFJYSZSA-N 0 3 323.440 3.001 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H](CC)C(C)C)CCC[C@@H]12 ZINC001755704389 1201028686 /nfs/dbraw/zinc/02/86/86/1201028686.db2.gz LBLZPUFSUGOEEP-ZHALLVOQSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCCOc2ccccc2)[C@@H]1C ZINC001692348076 1201031322 /nfs/dbraw/zinc/03/13/22/1201031322.db2.gz ITNJVIYKMOBXKP-AEFFLSMTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCC2 ZINC001692370799 1201040959 /nfs/dbraw/zinc/04/09/59/1201040959.db2.gz DTXZFSARBDHLPA-KBMXLJTQSA-N 0 3 314.429 3.022 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C\c1ccc(F)cc1 ZINC001692368993 1201041387 /nfs/dbraw/zinc/04/13/87/1201041387.db2.gz OPDQWYDYSFKTJM-VMLVWOMUSA-N 0 3 314.404 3.090 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1C ZINC001692373078 1201041559 /nfs/dbraw/zinc/04/15/59/1201041559.db2.gz OYJQEABNMIZHHK-XIRDDKMYSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1coc2ccccc12 ZINC001692378203 1201044868 /nfs/dbraw/zinc/04/48/68/1201044868.db2.gz JXQWFEWVAWXGBH-IRXDYDNUSA-N 0 3 324.424 3.227 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(F)cc(Cl)c1)C(C)C ZINC001755814502 1201079669 /nfs/dbraw/zinc/07/96/69/1201079669.db2.gz DQXDBATZMGRAJC-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](OC)c1ccccc1)C(C)C ZINC001755817254 1201082911 /nfs/dbraw/zinc/08/29/11/1201082911.db2.gz GABQRXJPUCAUHI-GOSISDBHSA-N 0 3 318.461 3.119 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1cnoc1C)C(C)(C)C ZINC001755829263 1201092614 /nfs/dbraw/zinc/09/26/14/1201092614.db2.gz AIKAFHRLLOZUBX-CRAIPNDOSA-N 0 3 321.465 3.206 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cnoc1C)C(C)(C)C ZINC001755833905 1201095045 /nfs/dbraw/zinc/09/50/45/1201095045.db2.gz RSSZKGSYAZMDTE-HNNXBMFYSA-N 0 3 321.465 3.206 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001755848601 1201105489 /nfs/dbraw/zinc/10/54/89/1201105489.db2.gz IOJQKMUXCODKKW-ZEVQVBBLSA-N 0 3 324.468 3.025 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC001755858188 1201109921 /nfs/dbraw/zinc/10/99/21/1201109921.db2.gz SHBNJEUTUOUFQQ-UHFFFAOYSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC001755896504 1201123874 /nfs/dbraw/zinc/12/38/74/1201123874.db2.gz SZDALAZDBOUMPH-HNNXBMFYSA-N 0 3 324.424 3.471 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001698554560 1201226846 /nfs/dbraw/zinc/22/68/46/1201226846.db2.gz ZAYZQBHYMYDOGD-CQSZACIVSA-N 0 3 323.506 3.480 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001698579703 1201254137 /nfs/dbraw/zinc/25/41/37/1201254137.db2.gz XGBVGVUBJJJEOK-DLBZAZTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001698579705 1201255431 /nfs/dbraw/zinc/25/54/31/1201255431.db2.gz XGBVGVUBJJJEOK-IRXDYDNUSA-N 0 3 324.509 3.184 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001698586441 1201260962 /nfs/dbraw/zinc/26/09/62/1201260962.db2.gz CTFPLCVVXJZSIT-SBHAEUEKSA-N 0 3 324.468 3.126 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001698595086 1201268109 /nfs/dbraw/zinc/26/81/09/1201268109.db2.gz KAJVSZJVVDFCHW-XNWJVHIKSA-N 0 3 317.408 3.038 20 30 DGEDHN C#Cc1ccc(C(=O)NC2(CNCC(=C)Cl)CCCC2)cc1 ZINC001698632602 1201299630 /nfs/dbraw/zinc/29/96/30/1201299630.db2.gz QGCSBACBNKBQQN-UHFFFAOYSA-N 0 3 316.832 3.053 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(F)cc1C)C1CC1 ZINC001698652372 1201315840 /nfs/dbraw/zinc/31/58/40/1201315840.db2.gz KLMBOMXKXWDZQI-KRWDZBQOSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H](C)c1ccco1)C1CC1 ZINC001698653124 1201317529 /nfs/dbraw/zinc/31/75/29/1201317529.db2.gz OEEVTYPYAJICOQ-PXAZEXFGSA-N 0 3 324.852 3.400 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C(C)(C)F)CCCC[C@@H]1C ZINC001698657271 1201322052 /nfs/dbraw/zinc/32/20/52/1201322052.db2.gz PXSKGNOFPRSUMM-NHYWBVRUSA-N 0 3 304.837 3.142 20 30 DGEDHN CC[C@@H](F)CN1CCC(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001698720954 1201360758 /nfs/dbraw/zinc/36/07/58/1201360758.db2.gz FXLASFFFEGXPSO-MRXNPFEDSA-N 0 3 310.457 3.002 20 30 DGEDHN C#CCCCCC(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001698722267 1201363029 /nfs/dbraw/zinc/36/30/29/1201363029.db2.gz DIUCOESBFSXWID-WDZFZDKYSA-N 0 3 310.869 3.151 20 30 DGEDHN C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001698904586 1201565413 /nfs/dbraw/zinc/56/54/13/1201565413.db2.gz JXFSMQFSAYQWMR-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(OC)cc1C)C(C)C ZINC001698975541 1201631708 /nfs/dbraw/zinc/63/17/08/1201631708.db2.gz MDWVYQMCJBWDRE-INIZCTEOSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1nc2ccccc2cc1C ZINC001698992275 1201657862 /nfs/dbraw/zinc/65/78/62/1201657862.db2.gz NMUVDISIODWKIV-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001699004444 1201673193 /nfs/dbraw/zinc/67/31/93/1201673193.db2.gz RZMQVJYACRNXCN-UHFFFAOYSA-N 0 3 306.406 3.230 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1csc2c1CCCC2 ZINC001699004121 1201673760 /nfs/dbraw/zinc/67/37/60/1201673760.db2.gz GZUUFKJTSPZSCR-UHFFFAOYSA-N 0 3 306.475 3.207 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001699003723 1201674069 /nfs/dbraw/zinc/67/40/69/1201674069.db2.gz DJYNZYMTTSPIGH-ZDUSSCGKSA-N 0 3 310.388 3.035 20 30 DGEDHN CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ccccc1C#N ZINC001699023401 1201689849 /nfs/dbraw/zinc/68/98/49/1201689849.db2.gz ZKKQJJXEDOXMNZ-MSOLQXFVSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C/Cl ZINC001699029102 1201696385 /nfs/dbraw/zinc/69/63/85/1201696385.db2.gz OLKDVSSCSFARBO-KCWVNHISSA-N 0 3 319.276 3.392 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001699130060 1201723330 /nfs/dbraw/zinc/72/33/30/1201723330.db2.gz QKBMXPBGMKUAJH-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2C)[C@H]1C ZINC001750937779 1201730948 /nfs/dbraw/zinc/73/09/48/1201730948.db2.gz WRIUMPHCALGEPR-LMMKCTJWSA-N 0 3 314.473 3.329 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001699183495 1201745939 /nfs/dbraw/zinc/74/59/39/1201745939.db2.gz ZKJXCKKBNTTWPH-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001699263177 1201772969 /nfs/dbraw/zinc/77/29/69/1201772969.db2.gz LKOCFLYUHKISST-WAYWQWQTSA-N 0 3 313.445 3.002 20 30 DGEDHN CCN(CCCNC(=O)CC1(C)CC1)Cc1ccc(C#N)s1 ZINC001752198018 1201796849 /nfs/dbraw/zinc/79/68/49/1201796849.db2.gz XDGNVPNSVPFXFX-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001752282933 1201816851 /nfs/dbraw/zinc/81/68/51/1201816851.db2.gz ABORFIHVIKHRMS-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CNCc1ccccc1Cl ZINC001699377542 1201825697 /nfs/dbraw/zinc/82/56/97/1201825697.db2.gz JWKURYIOGYUUKF-CQSZACIVSA-N 0 3 306.837 3.128 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001752304398 1201826653 /nfs/dbraw/zinc/82/66/53/1201826653.db2.gz NTJBSXNKQAUZTP-UHFFFAOYSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001752435130 1201836941 /nfs/dbraw/zinc/83/69/41/1201836941.db2.gz NFWSMOGYTPTASQ-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001752434566 1201837679 /nfs/dbraw/zinc/83/76/79/1201837679.db2.gz GZUUADHAQKKSCX-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](C)CNCc1ccccn1)c1ccccc1 ZINC001699432871 1201862143 /nfs/dbraw/zinc/86/21/43/1201862143.db2.gz SANKXTDDHONCLT-IRXDYDNUSA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cc(F)cc2F ZINC001699441367 1201875054 /nfs/dbraw/zinc/87/50/54/1201875054.db2.gz FFASDOZWPGAXDR-YVEFUNNKSA-N 0 3 322.399 3.355 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001699441757 1201878114 /nfs/dbraw/zinc/87/81/14/1201878114.db2.gz CXJOBHLQFGAYQP-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(F)c2ccccc12 ZINC001699461127 1201898001 /nfs/dbraw/zinc/89/80/01/1201898001.db2.gz RIPMTBBAWSSRKH-ZDUSSCGKSA-N 0 3 300.377 3.215 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001752782026 1201920136 /nfs/dbraw/zinc/92/01/36/1201920136.db2.gz COCNWDQVVSPASY-PXNSSMCTSA-N 0 3 324.468 3.032 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001752786779 1201921541 /nfs/dbraw/zinc/92/15/41/1201921541.db2.gz ZEOWNKNQRUTBKI-SJLPKXTDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2ncccc21 ZINC001699526528 1201936315 /nfs/dbraw/zinc/93/63/15/1201936315.db2.gz NEFWLQFBHMVTBX-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001752822285 1201945010 /nfs/dbraw/zinc/94/50/10/1201945010.db2.gz DGNZZBHWFLSGNA-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001752824983 1201952739 /nfs/dbraw/zinc/95/27/39/1201952739.db2.gz JJBRZTKOCHRVTJ-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001699622197 1201985083 /nfs/dbraw/zinc/98/50/83/1201985083.db2.gz PZTFBXOLIBOEIX-MRXNPFEDSA-N 0 3 315.461 3.149 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001699624616 1201986351 /nfs/dbraw/zinc/98/63/51/1201986351.db2.gz HWLIKAFFSOFQMO-KRWDZBQOSA-N 0 3 315.461 3.249 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001699627792 1201990460 /nfs/dbraw/zinc/99/04/60/1201990460.db2.gz YSFYSSJTHXWTMG-ZIAGYGMSSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001699632951 1201998479 /nfs/dbraw/zinc/99/84/79/1201998479.db2.gz KPOKHCSFGPJXTP-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1ccccc1C ZINC001699636160 1201999908 /nfs/dbraw/zinc/99/99/08/1201999908.db2.gz WJRURTWNMRMYHX-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001699639473 1202004585 /nfs/dbraw/zinc/00/45/85/1202004585.db2.gz RYZVGNWQZJRPQE-QGZVFWFLSA-N 0 3 311.429 3.018 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001699644635 1202010433 /nfs/dbraw/zinc/01/04/33/1202010433.db2.gz DQMRWNLIZSBGHV-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cncc(C)c2)CCCC1 ZINC001752923770 1202014908 /nfs/dbraw/zinc/01/49/08/1202014908.db2.gz IMAIUXCRSZHQOI-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CN[C@@H](C)c2c(F)cccc2F)C1 ZINC001752932705 1202017219 /nfs/dbraw/zinc/01/72/19/1202017219.db2.gz REPYPLPXCKEHBC-KBPBESRZSA-N 0 3 322.399 3.430 20 30 DGEDHN CC(C)=CC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001752965455 1202026809 /nfs/dbraw/zinc/02/68/09/1202026809.db2.gz PQRYYRKDUHPHDM-MSOLQXFVSA-N 0 3 311.429 3.041 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CCCCCC)C2)CC1 ZINC001699699689 1202040663 /nfs/dbraw/zinc/04/06/63/1202040663.db2.gz GVDSGCMJXHYCDB-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001752999123 1202049385 /nfs/dbraw/zinc/04/93/85/1202049385.db2.gz SYLFGEDFRRKPQV-PKOBYXMFSA-N 0 3 312.457 3.126 20 30 DGEDHN Cc1cccc(C(=O)NCC[C@@H](C)NCc2ccccc2C#N)c1 ZINC001753002164 1202051924 /nfs/dbraw/zinc/05/19/24/1202051924.db2.gz YGWTWYBMABDNSG-MRXNPFEDSA-N 0 3 321.424 3.165 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1nc(C)c(C)s1 ZINC001753013326 1202059302 /nfs/dbraw/zinc/05/93/02/1202059302.db2.gz GSSXYXWHSPZSBR-SJKOYZFVSA-N 0 3 323.506 3.347 20 30 DGEDHN C[C@@H]1C[C@H]1C(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001753031815 1202069170 /nfs/dbraw/zinc/06/91/70/1202069170.db2.gz CINMVHCNWZSAKJ-MISYRCLQSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN(C(=O)CSCCC)C1CCN(CC=C(C)C)CC1 ZINC001699777589 1202076086 /nfs/dbraw/zinc/07/60/86/1202076086.db2.gz SQBQJFQPMMKVEY-UHFFFAOYSA-N 0 3 322.518 3.022 20 30 DGEDHN C#CCN(C(=O)CC1(C)CC1)C1CCN(CC=C(C)C)CC1 ZINC001699781173 1202077568 /nfs/dbraw/zinc/07/75/68/1202077568.db2.gz UOVBSELFSPTJEM-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@@H](C)CC)c1ccc2ccccc2c1 ZINC001699789862 1202079794 /nfs/dbraw/zinc/07/97/94/1202079794.db2.gz RYMAHCOAPPUBMW-KXBFYZLASA-N 0 3 308.425 3.266 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001699822363 1202098105 /nfs/dbraw/zinc/09/81/05/1202098105.db2.gz GJZGFHRGJCJQBP-LJQANCHMSA-N 0 3 312.413 3.050 20 30 DGEDHN C=CCCCC(=O)N[C@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001699824358 1202100103 /nfs/dbraw/zinc/10/01/03/1202100103.db2.gz MOHPLGNCXFTOMW-LJQANCHMSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCN(CC)CCNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001753083864 1202114428 /nfs/dbraw/zinc/11/44/28/1202114428.db2.gz VBVDBOVNOMABHQ-UHFFFAOYSA-N 0 3 306.425 3.118 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(CC)(CC)CC)C1 ZINC001699877509 1202133761 /nfs/dbraw/zinc/13/37/61/1202133761.db2.gz ZNPIATZWEPUAAN-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001753106424 1202138096 /nfs/dbraw/zinc/13/80/96/1202138096.db2.gz OGLYIMSEYWUCIN-GOSISDBHSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC(C)(F)F)c1ccccc1CC ZINC001699932408 1202140089 /nfs/dbraw/zinc/14/00/89/1202140089.db2.gz SVPNWIVNZGQUBY-HNNXBMFYSA-N 0 3 310.388 3.227 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)SC)c1ccccc1CC ZINC001699933038 1202140603 /nfs/dbraw/zinc/14/06/03/1202140603.db2.gz KNXWOBYVZGGQJE-PBHICJAKSA-N 0 3 320.502 3.324 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C/C=C(\C)C=C)C2)CC1 ZINC001699976956 1202154601 /nfs/dbraw/zinc/15/46/01/1202154601.db2.gz ZAHMDUVVOMWCMI-QTQQGTETSA-N 0 3 314.473 3.093 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001699991811 1202161567 /nfs/dbraw/zinc/16/15/67/1202161567.db2.gz YGFLWIQKZILDEJ-QRVBRYPASA-N 0 3 316.489 3.173 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1ccccc1C)C1CC1 ZINC001753160623 1202175441 /nfs/dbraw/zinc/17/54/41/1202175441.db2.gz VLYHNACRGALIJP-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(Cl)c2occc21)C1CC1 ZINC001753162488 1202177405 /nfs/dbraw/zinc/17/74/05/1202177405.db2.gz MAASIAQWZZIMQE-UHFFFAOYSA-N 0 3 318.804 3.466 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1 ZINC001700094406 1202178336 /nfs/dbraw/zinc/17/83/36/1202178336.db2.gz JPZWUOIRFWYDFW-CRAIPNDOSA-N 0 3 312.457 3.413 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC001753162864 1202178515 /nfs/dbraw/zinc/17/85/15/1202178515.db2.gz UAVBLBDCVQZSFB-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)Cc1ccccc1C)C1CC1 ZINC001753164620 1202178593 /nfs/dbraw/zinc/17/85/93/1202178593.db2.gz AONOOFWSUSNFHQ-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)C(F)F)cc1 ZINC001700094624 1202179395 /nfs/dbraw/zinc/17/93/95/1202179395.db2.gz LPLJGLFXQANFNB-CYBMUJFWSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccccc2F)cc1 ZINC001700096030 1202179959 /nfs/dbraw/zinc/17/99/59/1202179959.db2.gz LPMPDMFZEYHYGO-AWEZNQCLSA-N 0 3 310.372 3.040 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001753186022 1202181444 /nfs/dbraw/zinc/18/14/44/1202181444.db2.gz IDDZVPXAVQMSTI-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN CCCCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001700174314 1202194023 /nfs/dbraw/zinc/19/40/23/1202194023.db2.gz NSKZOVKQSYFNMJ-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001700175807 1202195398 /nfs/dbraw/zinc/19/53/98/1202195398.db2.gz DICJVWTVLXWDJD-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](F)CC)c1ccc(C(C)C)cc1 ZINC001753294076 1202198745 /nfs/dbraw/zinc/19/87/45/1202198745.db2.gz DCEGQFPTBAPNLY-SJORKVTESA-N 0 3 306.425 3.491 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C(CC(C)C)CC(C)C)CC1 ZINC001700182411 1202199491 /nfs/dbraw/zinc/19/94/91/1202199491.db2.gz XACXIJSWFVYDAL-SFHVURJKSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](OC)c1ccccc1)c1ccccc1 ZINC001753302659 1202201309 /nfs/dbraw/zinc/20/13/09/1202201309.db2.gz HRGQECPVXGAOTM-RTBURBONSA-N 0 3 324.424 3.007 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC2CCCCC2)C1 ZINC001753312782 1202203538 /nfs/dbraw/zinc/20/35/38/1202203538.db2.gz DUWZBDXSRYSILU-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001700192096 1202205807 /nfs/dbraw/zinc/20/58/07/1202205807.db2.gz MQXGBMOVJSNUIN-IBGZPJMESA-N 0 3 317.477 3.273 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC[C@@H](C)c1ccccc1 ZINC001700193348 1202207015 /nfs/dbraw/zinc/20/70/15/1202207015.db2.gz XHPNWDWACIGWHX-GOSISDBHSA-N 0 3 314.473 3.374 20 30 DGEDHN CC#CCCCC(=O)N(CCC)[C@H]1CCN(CC=C(C)C)C1 ZINC001753318219 1202208289 /nfs/dbraw/zinc/20/82/89/1202208289.db2.gz FOHSDBBSTLPJIM-SFHVURJKSA-N 0 3 304.478 3.459 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cccc(OC)c2)C1 ZINC001753322824 1202210319 /nfs/dbraw/zinc/21/03/19/1202210319.db2.gz KCPTYISXECDTMD-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C[C@H](C(=O)N(CCC)[C@H]1CCN(CC)C1)c1ccccc1 ZINC001753324156 1202210716 /nfs/dbraw/zinc/21/07/16/1202210716.db2.gz YJGITJLJCRLHPO-ROUUACIJSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CC[NH2+]C1(CC)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001700217625 1202211734 /nfs/dbraw/zinc/21/17/34/1202211734.db2.gz ORLUQLHOOWKVEY-UHFFFAOYSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CCc3ccoc3)cc2C1 ZINC001700253718 1202218429 /nfs/dbraw/zinc/21/84/29/1202218429.db2.gz KCPBOYOYLMSTGE-UHFFFAOYSA-N 0 3 324.424 3.420 20 30 DGEDHN C=CCCC[N@@H+](C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001753363421 1202229979 /nfs/dbraw/zinc/22/99/79/1202229979.db2.gz QNRTUXLOMMZQIJ-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=CCCC[N@H+](C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001753363421 1202229981 /nfs/dbraw/zinc/22/99/81/1202229981.db2.gz QNRTUXLOMMZQIJ-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001700314211 1202233652 /nfs/dbraw/zinc/23/36/52/1202233652.db2.gz QYFOMZPTOSKAOI-MAUKXSAKSA-N 0 3 315.461 3.215 20 30 DGEDHN CCCCCCCN1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001753388432 1202237667 /nfs/dbraw/zinc/23/76/67/1202237667.db2.gz DLEVWUBPMUMEPN-SFHVURJKSA-N 0 3 323.525 3.020 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001753407791 1202244062 /nfs/dbraw/zinc/24/40/62/1202244062.db2.gz WYQYVANBCAKOJJ-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1scnc1C(C)(C)C ZINC001700360359 1202249466 /nfs/dbraw/zinc/24/94/66/1202249466.db2.gz GVHOOSKWRNZNBX-CYBMUJFWSA-N 0 3 321.490 3.163 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001753423291 1202249565 /nfs/dbraw/zinc/24/95/65/1202249565.db2.gz CPODXLFQIWLFPD-VNYTWHDVSA-N 0 3 324.468 3.216 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CC(CNCc2ncc(C)s2)C1 ZINC001700378148 1202255258 /nfs/dbraw/zinc/25/52/58/1202255258.db2.gz XNPSOJQXYBJTGS-WLYUNCDWSA-N 0 3 321.490 3.038 20 30 DGEDHN CCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001700386261 1202257697 /nfs/dbraw/zinc/25/76/97/1202257697.db2.gz IJVGBZMXLWXHBP-CABCVRRESA-N 0 3 320.864 3.365 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001753461619 1202264455 /nfs/dbraw/zinc/26/44/55/1202264455.db2.gz KMZNVHLPIPWKEC-QZTJIDSGSA-N 0 3 322.468 3.241 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001700411232 1202265375 /nfs/dbraw/zinc/26/53/75/1202265375.db2.gz DVBAERYIVNVYOF-BARLUBHISA-N 0 3 317.458 3.125 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NCc2cnc(C)s2)CC1 ZINC001700418439 1202267433 /nfs/dbraw/zinc/26/74/33/1202267433.db2.gz LKVNIJJADIKWKS-CHWSQXEVSA-N 0 3 321.490 3.181 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001700458926 1202280534 /nfs/dbraw/zinc/28/05/34/1202280534.db2.gz AVWSCAVVLPMGMW-KBPBESRZSA-N 0 3 322.399 3.122 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(OC)c1C ZINC001700461131 1202280765 /nfs/dbraw/zinc/28/07/65/1202280765.db2.gz QPHABCJBFXKJKU-OAHLLOKOSA-N 0 3 318.461 3.296 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001700459379 1202280887 /nfs/dbraw/zinc/28/08/87/1202280887.db2.gz GGMKBAXKABQRRD-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001700459633 1202280893 /nfs/dbraw/zinc/28/08/93/1202280893.db2.gz GYBSDBCDEBKUDC-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC001753586409 1202293883 /nfs/dbraw/zinc/29/38/83/1202293883.db2.gz ZCEIZILYFRJPIP-BQFCYCMXSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@@H](F)C2)CCCCC1 ZINC001700513347 1202300011 /nfs/dbraw/zinc/30/00/11/1202300011.db2.gz ZTUBVRFPGHOMKN-UONOGXRCSA-N 0 3 316.848 3.286 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCCN1Cc1cccnc1C ZINC001700522986 1202304029 /nfs/dbraw/zinc/30/40/29/1202304029.db2.gz GQVQKUPFGWJHRK-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CC1CCCCCC1 ZINC001700526698 1202305192 /nfs/dbraw/zinc/30/51/92/1202305192.db2.gz MSHAFKDHUBIAQL-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccn(CC)c2C)CCCC1 ZINC001753667844 1202309078 /nfs/dbraw/zinc/30/90/78/1202309078.db2.gz MBMCKMSGXRRYAQ-UHFFFAOYSA-N 0 3 323.868 3.201 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001700547903 1202311662 /nfs/dbraw/zinc/31/16/62/1202311662.db2.gz ZWNOFAVBTCVTIR-LPHOPBHVSA-N 0 3 314.473 3.439 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001753693812 1202315551 /nfs/dbraw/zinc/31/55/51/1202315551.db2.gz SDTRMJLGSCFVAT-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)c3ccccc3F)C[C@H]21 ZINC001700580142 1202319101 /nfs/dbraw/zinc/31/91/01/1202319101.db2.gz IZQBHELDEDMWKH-DZUCGIPZSA-N 0 3 316.420 3.147 20 30 DGEDHN C#CCC1(C(=O)N(C)[C@@H](C)CNC[C@@H](F)CC)CCCCC1 ZINC001753728043 1202322316 /nfs/dbraw/zinc/32/23/16/1202322316.db2.gz OGEIULYPYUWGTD-HOTGVXAUSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2ccccn2)CCCC1 ZINC001753731067 1202323253 /nfs/dbraw/zinc/32/32/53/1202323253.db2.gz KQRHFTDXRPOXNN-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)CC(F)(F)F ZINC001700670377 1202332012 /nfs/dbraw/zinc/33/20/12/1202332012.db2.gz MMVRFQNLFVQUKG-KOLCDFICSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](C)C(C)(F)F ZINC001753795908 1202335132 /nfs/dbraw/zinc/33/51/32/1202335132.db2.gz IBORJQJNOWFHMK-QWHCGFSZSA-N 0 3 322.827 3.391 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](CNCc1ccns1)C1CC1 ZINC001700724521 1202343198 /nfs/dbraw/zinc/34/31/98/1202343198.db2.gz WFHLFXWNYSOHCD-HNNXBMFYSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001700765211 1202350637 /nfs/dbraw/zinc/35/06/37/1202350637.db2.gz OCTSCQAXTDRPAW-ZIAGYGMSSA-N 0 3 319.474 3.159 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC001700779784 1202353752 /nfs/dbraw/zinc/35/37/52/1202353752.db2.gz FTFNYFYAAUYVOY-CVEARBPZSA-N 0 3 300.446 3.274 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1scnc1C)CC2 ZINC001700857761 1202359753 /nfs/dbraw/zinc/35/97/53/1202359753.db2.gz GOJRXVSWNCGKSI-RDJZCZTQSA-N 0 3 319.474 3.031 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(F)c1)CC2 ZINC001700857935 1202360250 /nfs/dbraw/zinc/36/02/50/1202360250.db2.gz ISIYPLUKTOIQEW-HKUYNNGSSA-N 0 3 316.420 3.405 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccsc2)[C@H]1C ZINC001700876674 1202363504 /nfs/dbraw/zinc/36/35/04/1202363504.db2.gz MNBXLWGPHVHZBX-GDBMZVCRSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCOCCC(C)C)[C@@H]1C ZINC001700880419 1202364407 /nfs/dbraw/zinc/36/44/07/1202364407.db2.gz LWTCNLWKBNYBGI-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](CNCc2nc(C)cs2)C1 ZINC001700902666 1202368002 /nfs/dbraw/zinc/36/80/02/1202368002.db2.gz QQJZUMLHDKQTRX-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN CC/C=C(\C)C(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001700911805 1202369098 /nfs/dbraw/zinc/36/90/98/1202369098.db2.gz KPWCHFKEPUZLRG-DMVFFGLYSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001700915646 1202369903 /nfs/dbraw/zinc/36/99/03/1202369903.db2.gz HHCSHIGBWIMXJS-XMELGKRDSA-N 0 3 310.869 3.334 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H](C)n1cccc1)C(C)C ZINC001700975974 1202374623 /nfs/dbraw/zinc/37/46/23/1202374623.db2.gz DTPCNEZDVINDLX-KRWDZBQOSA-N 0 3 305.466 3.184 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccsc1COC)C(C)C ZINC001700977033 1202374910 /nfs/dbraw/zinc/37/49/10/1202374910.db2.gz FATGLAYHCXCJGR-UHFFFAOYSA-N 0 3 324.490 3.253 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2ccncc2c1)C(C)C ZINC001700976157 1202374967 /nfs/dbraw/zinc/37/49/67/1202374967.db2.gz IHIBRXAFGBEDTC-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C=C(/C)CC)CC[C@H]1C(F)(F)F ZINC001701015276 1202381783 /nfs/dbraw/zinc/38/17/83/1202381783.db2.gz PRPXUMRMWZVHBP-GJQIVEAUSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C(C)(C)Cc2ccccc2)CC1 ZINC001701061528 1202386153 /nfs/dbraw/zinc/38/61/53/1202386153.db2.gz WVGNSZNQSGLPTO-UHFFFAOYSA-N 0 3 312.457 3.190 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2CCC(=C)CC2)c(F)c1 ZINC001701068179 1202386639 /nfs/dbraw/zinc/38/66/39/1202386639.db2.gz XYTPIFQTPJIYNY-UHFFFAOYSA-N 0 3 316.420 3.464 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)C)c(F)c1 ZINC001701068227 1202386805 /nfs/dbraw/zinc/38/68/05/1202386805.db2.gz ZIJMQIWDHKAGNW-JKSUJKDBSA-N 0 3 304.409 3.010 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)C(CC)CC)C2)CC1 ZINC001707124227 1202573933 /nfs/dbraw/zinc/57/39/33/1202573933.db2.gz IVYUMOBQPXFJKC-DLBZAZTESA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)[C@H]1C ZINC001707260706 1202578802 /nfs/dbraw/zinc/57/88/02/1202578802.db2.gz AHBOWEHTNDNIDB-NEWSRXKRSA-N 0 3 312.457 3.029 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(COC)cs1 ZINC001707271581 1202579715 /nfs/dbraw/zinc/57/97/15/1202579715.db2.gz IQDOIEJASUJBSY-HNNXBMFYSA-N 0 3 322.474 3.007 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001707281281 1202580785 /nfs/dbraw/zinc/58/07/85/1202580785.db2.gz HNOFAMCPBUARLL-JOZWUWCOSA-N 0 3 310.869 3.149 20 30 DGEDHN C[C@H](c1ccccc1F)N(C)CCCNC(=O)C#CC(C)(C)C ZINC001707374925 1202581590 /nfs/dbraw/zinc/58/15/90/1202581590.db2.gz BVHWOURSCUSMKU-OAHLLOKOSA-N 0 3 318.436 3.374 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1occc1C ZINC001707441518 1202585157 /nfs/dbraw/zinc/58/51/57/1202585157.db2.gz MHJZXIUQOBRPBA-HUUCEWRRSA-N 0 3 324.852 3.242 20 30 DGEDHN CCC[C@H](C)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001712939511 1202605483 /nfs/dbraw/zinc/60/54/83/1202605483.db2.gz NGYNBLTXXDIZFP-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN CC#CCN(CCCNC(=O)C(C)(C)C1CCCC1)C1CC1 ZINC001713039483 1202612079 /nfs/dbraw/zinc/61/20/79/1202612079.db2.gz VNWRMDQSUAWNRH-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)Cc2ccccc2)CC1 ZINC001713057712 1202613340 /nfs/dbraw/zinc/61/33/40/1202613340.db2.gz WZPJLWYNFAFHOL-UHFFFAOYSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCCC(C)(C)C)CC1 ZINC001713094670 1202616531 /nfs/dbraw/zinc/61/65/31/1202616531.db2.gz ITBQGUAGXPZDCS-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001713141815 1202621489 /nfs/dbraw/zinc/62/14/89/1202621489.db2.gz LLICKEJFYDQIPH-CIRFHOKZSA-N 0 3 304.478 3.453 20 30 DGEDHN C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713168009 1202623630 /nfs/dbraw/zinc/62/36/30/1202623630.db2.gz SBZWLVUQHRLFPB-XLBJILASSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2CN(CCC(F)(F)F)CC[C@@H]21 ZINC001713182116 1202624682 /nfs/dbraw/zinc/62/46/82/1202624682.db2.gz MJNLRWVKVBABAD-KBPBESRZSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC001713377080 1202642983 /nfs/dbraw/zinc/64/29/83/1202642983.db2.gz NAXQEKGPTVPGOC-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN CC(C)=CC(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001713425750 1202648284 /nfs/dbraw/zinc/64/82/84/1202648284.db2.gz PHWRYDRHTLSMLX-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1CC(F)(F)C1 ZINC001713430056 1202648989 /nfs/dbraw/zinc/64/89/89/1202648989.db2.gz PTJRWFUQSWLQIW-ZDUSSCGKSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CCC(F)F ZINC001713433833 1202649516 /nfs/dbraw/zinc/64/95/16/1202649516.db2.gz IOPJNOAHXSBNLW-GFCCVEGCSA-N 0 3 308.800 3.145 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001713497849 1202660676 /nfs/dbraw/zinc/66/06/76/1202660676.db2.gz AWNCRAOBJROJFE-KRWDZBQOSA-N 0 3 306.425 3.189 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)CCc1ccccc1F ZINC001713515606 1202663740 /nfs/dbraw/zinc/66/37/40/1202663740.db2.gz XUGLQSHPVGTVKD-WBVHZDCISA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001713534030 1202666072 /nfs/dbraw/zinc/66/60/72/1202666072.db2.gz OIXLUIUKDUDCGA-RDJZCZTQSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001713537849 1202666760 /nfs/dbraw/zinc/66/67/60/1202666760.db2.gz WFDWOJAPQJZNCU-CQSZACIVSA-N 0 3 304.459 3.043 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1=CCCCCC1)c1ccccc1 ZINC001713698645 1202678337 /nfs/dbraw/zinc/67/83/37/1202678337.db2.gz JNLIWYSWALQZEC-LJQANCHMSA-N 0 3 310.441 3.347 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](N[C@H](C)COC)c1ccccc1 ZINC001713699969 1202678638 /nfs/dbraw/zinc/67/86/38/1202678638.db2.gz CAGQRVRLLMFNOT-NVXWUHKLSA-N 0 3 318.461 3.071 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccccc1CC)c1ccccc1 ZINC001713700091 1202678649 /nfs/dbraw/zinc/67/86/49/1202678649.db2.gz ATKQFGVSGVXHGM-HXUWFJFHSA-N 0 3 320.436 3.333 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC001713702764 1202678738 /nfs/dbraw/zinc/67/87/38/1202678738.db2.gz OBCDEIAJWKUCSM-QGZVFWFLSA-N 0 3 316.351 3.212 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC001713701125 1202678795 /nfs/dbraw/zinc/67/87/95/1202678795.db2.gz RNIXACMZPOEERX-VNTMZGSJSA-N 0 3 324.468 3.283 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C12CCC(CC1)C2)c1ccccc1 ZINC001713701955 1202678824 /nfs/dbraw/zinc/67/88/24/1202678824.db2.gz ZGGCPQAPEKEUHY-KGXSXCIVSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(F)s1)c1ccccc1 ZINC001713703527 1202678866 /nfs/dbraw/zinc/67/88/66/1202678866.db2.gz FVBZEBJTUSZHLY-CYBMUJFWSA-N 0 3 304.390 3.134 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 ZINC001713704216 1202678969 /nfs/dbraw/zinc/67/89/69/1202678969.db2.gz TVXISWNOYSFUSP-BHIYHBOVSA-N 0 3 312.457 3.283 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2ccc(C)cc2)C1 ZINC001713717863 1202680934 /nfs/dbraw/zinc/68/09/34/1202680934.db2.gz UYGGTVAUWQRCFU-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2cccc(C)c2)C1 ZINC001713719475 1202680980 /nfs/dbraw/zinc/68/09/80/1202680980.db2.gz BAQCCSYUMCZBDY-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2occc2Cl)C1 ZINC001713719870 1202681170 /nfs/dbraw/zinc/68/11/70/1202681170.db2.gz JRSXLZNMHMBYOI-CYBMUJFWSA-N 0 3 310.825 3.436 20 30 DGEDHN C#CCCCCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001713763574 1202687954 /nfs/dbraw/zinc/68/79/54/1202687954.db2.gz UYBYDFSVVBCWNA-YRNVUSSQSA-N 0 3 310.869 3.103 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN([C@H](C)c3cccc(C)c3)C2)C1 ZINC001713918279 1202702309 /nfs/dbraw/zinc/70/23/09/1202702309.db2.gz ZIEVAPYMLYKOBE-MRXNPFEDSA-N 0 3 312.457 3.460 20 30 DGEDHN CCC(C)(C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001713923677 1202702553 /nfs/dbraw/zinc/70/25/53/1202702553.db2.gz HRYHEVVGGLDPLH-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001713931882 1202703274 /nfs/dbraw/zinc/70/32/74/1202703274.db2.gz PDQPABPGXMKFLA-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001713943305 1202704322 /nfs/dbraw/zinc/70/43/22/1202704322.db2.gz LTEIMJJFIWOYBI-GQGLESIBSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001714021358 1202732035 /nfs/dbraw/zinc/73/20/35/1202732035.db2.gz UBQUWDYWKDGWTQ-BBWFWOEESA-N 0 3 318.848 3.336 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001714026204 1202735550 /nfs/dbraw/zinc/73/55/50/1202735550.db2.gz ZJCGINVRVHFJDI-RHSMWYFYSA-N 0 3 304.409 3.038 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001714048095 1202750241 /nfs/dbraw/zinc/75/02/41/1202750241.db2.gz JVAPBQSIGLABES-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001714047386 1202750985 /nfs/dbraw/zinc/75/09/85/1202750985.db2.gz XZYFQZYGWKZXGP-SFHVURJKSA-N 0 3 314.473 3.263 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1cnc(C)s1 ZINC001714103479 1202777244 /nfs/dbraw/zinc/77/72/44/1202777244.db2.gz FOAWWDKLOOIMHN-XJKSGUPXSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cccc(CC)c1 ZINC001714106878 1202779419 /nfs/dbraw/zinc/77/94/19/1202779419.db2.gz DEJNJWGXLMOYBO-IBGZPJMESA-N 0 3 314.473 3.338 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCCN1C[C@H]1CC(C)(C)CO1 ZINC001714111354 1202783696 /nfs/dbraw/zinc/78/36/96/1202783696.db2.gz WZTBJGKIFUWHBS-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2ccccn2)CCCC1 ZINC001714124532 1202790929 /nfs/dbraw/zinc/79/09/29/1202790929.db2.gz CROVZEYQMZZBIS-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC001714194206 1202825899 /nfs/dbraw/zinc/82/58/99/1202825899.db2.gz FBJOASFCHUEPQJ-OAHLLOKOSA-N 0 3 324.852 3.183 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001714304819 1202873245 /nfs/dbraw/zinc/87/32/45/1202873245.db2.gz RIJRZHSVLPTYRZ-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001714390663 1202909055 /nfs/dbraw/zinc/90/90/55/1202909055.db2.gz KHPZGIUEQWAKHY-QZTJIDSGSA-N 0 3 313.445 3.265 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC001714405824 1202915147 /nfs/dbraw/zinc/91/51/47/1202915147.db2.gz DCQMYVPAOCWFPS-LSDHHAIUSA-N 0 3 321.490 3.325 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001714448761 1202941181 /nfs/dbraw/zinc/94/11/81/1202941181.db2.gz MFHIKKULURQPMX-OHTSDLOESA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC001714453035 1202942515 /nfs/dbraw/zinc/94/25/15/1202942515.db2.gz FMYFSZQQUZFCOH-KRWDZBQOSA-N 0 3 324.424 3.301 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC001714455430 1202945102 /nfs/dbraw/zinc/94/51/02/1202945102.db2.gz XTTXNMXGDXDYOA-QGZVFWFLSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H]1CCc2ccccc21 ZINC001714494140 1202961597 /nfs/dbraw/zinc/96/15/97/1202961597.db2.gz RHCRYZNRNXVSNL-ZBFHGGJFSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)/C=C\c1ccc[nH]1 ZINC001714511207 1202972856 /nfs/dbraw/zinc/97/28/56/1202972856.db2.gz JEGYIPKPABAUDC-HLRDLLSLSA-N 0 3 321.852 3.141 20 30 DGEDHN CN(CCNC(=O)C#CC1CC1)Cc1ccc(C2CCCC2)cc1 ZINC001714536508 1202984465 /nfs/dbraw/zinc/98/44/65/1202984465.db2.gz QICMPFVFHQUJRH-UHFFFAOYSA-N 0 3 324.468 3.306 20 30 DGEDHN CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)C#CC2CC2)cc1 ZINC001714605707 1203045850 /nfs/dbraw/zinc/04/58/50/1203045850.db2.gz HNXANKWZGTXLOM-HXUWFJFHSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001714615866 1203051333 /nfs/dbraw/zinc/05/13/33/1203051333.db2.gz ANKZEHMPRJTNQY-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN CCCCCC(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001714625692 1203060297 /nfs/dbraw/zinc/06/02/97/1203060297.db2.gz LEMJPTVKXFCEIH-GOSISDBHSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001714642936 1203068801 /nfs/dbraw/zinc/06/88/01/1203068801.db2.gz HACQMQQCSJLVOU-DNVCBOLYSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001714642937 1203069291 /nfs/dbraw/zinc/06/92/91/1203069291.db2.gz HACQMQQCSJLVOU-HNAYVOBHSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001714642076 1203069530 /nfs/dbraw/zinc/06/95/30/1203069530.db2.gz CJXVVONEGPMMBR-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001714642191 1203069724 /nfs/dbraw/zinc/06/97/24/1203069724.db2.gz DISZUXDJNZGNMA-CQSZACIVSA-N 0 3 306.475 3.289 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1ccccc1Cl ZINC001714725903 1203109823 /nfs/dbraw/zinc/10/98/23/1203109823.db2.gz UMTJTEHFTZDTQA-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN CC(C)N(CCCNC(=O)C(C)(C)F)Cc1ccccc1C#N ZINC001714812708 1203134761 /nfs/dbraw/zinc/13/47/61/1203134761.db2.gz LJIHOWKWWHQNLS-UHFFFAOYSA-N 0 3 319.424 3.023 20 30 DGEDHN C[C@@H](CNCC#Cc1cccc(Cl)c1)N(C)C(=O)C(C)(C)C ZINC001714828908 1203142313 /nfs/dbraw/zinc/14/23/13/1203142313.db2.gz AJFRMPHGGZCBHL-AWEZNQCLSA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(OC)cs1)c1ccccc1 ZINC001714838600 1203146958 /nfs/dbraw/zinc/14/69/58/1203146958.db2.gz PCIAJXSWDLZZTK-HNNXBMFYSA-N 0 3 316.426 3.003 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c(C)cccc1C ZINC001714847416 1203150470 /nfs/dbraw/zinc/15/04/70/1203150470.db2.gz RWSAQJJNRPWYSL-KDURUIRLSA-N 0 3 324.468 3.282 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CCC)C(=O)c2cncs2)C1 ZINC001714857071 1203156596 /nfs/dbraw/zinc/15/65/96/1203156596.db2.gz QTIDKKFBQUOYEH-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C=C(C)CN1CCC[C@@H](N(Cc2ccccc2)C(=O)CC)C1 ZINC001714903486 1203188289 /nfs/dbraw/zinc/18/82/89/1203188289.db2.gz AJXQBULBJAPTQF-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(C)C ZINC001714992420 1203228374 /nfs/dbraw/zinc/22/83/74/1203228374.db2.gz UMJXZRVKOJRYED-ULQDDVLXSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001715003910 1203233647 /nfs/dbraw/zinc/23/36/47/1203233647.db2.gz KWDCJJLCYAHBHE-MRXNPFEDSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)CC(F)(F)F)C1 ZINC001715027546 1203242790 /nfs/dbraw/zinc/24/27/90/1203242790.db2.gz OSBOCQNYHBFUBY-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(C)cs1)C1CC1 ZINC001715106551 1203274401 /nfs/dbraw/zinc/27/44/01/1203274401.db2.gz GIDPUCOVJRATEC-HNNXBMFYSA-N 0 3 312.866 3.297 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](F)c2ccccc2)cc1 ZINC001715195427 1203293426 /nfs/dbraw/zinc/29/34/26/1203293426.db2.gz DXNWCDUNFVIOTL-LJQANCHMSA-N 0 3 324.399 3.127 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)c2ccc(C)o2)CCCC1 ZINC001715307107 1203311554 /nfs/dbraw/zinc/31/15/54/1203311554.db2.gz IQBUISWPXBNRFP-AWEZNQCLSA-N 0 3 324.852 3.463 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@]1(C)CC=CCC1 ZINC001715336830 1203318202 /nfs/dbraw/zinc/31/82/02/1203318202.db2.gz KOROCUHLYWTMEM-WIYYLYMNSA-N 0 3 324.468 3.221 20 30 DGEDHN CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC1CC1 ZINC001715383131 1203330267 /nfs/dbraw/zinc/33/02/67/1203330267.db2.gz PMVGADSPNOUQFU-AWEZNQCLSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCCC(=O)N[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC001715386284 1203330988 /nfs/dbraw/zinc/33/09/88/1203330988.db2.gz WDUVIZKNFKDODL-LJQANCHMSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC001715429702 1203340322 /nfs/dbraw/zinc/34/03/22/1203340322.db2.gz STNYFHUDQOVGJD-AWEZNQCLSA-N 0 3 312.866 3.475 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccncc1C ZINC001715438745 1203341259 /nfs/dbraw/zinc/34/12/59/1203341259.db2.gz WSDIMCHLDMLIQB-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001715443339 1203342203 /nfs/dbraw/zinc/34/22/03/1203342203.db2.gz CEUJCMUJWQMXCO-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C)cc1F)C(C)C ZINC001715508119 1203355621 /nfs/dbraw/zinc/35/56/21/1203355621.db2.gz YZUKQFKQGCMJLT-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001715517826 1203358861 /nfs/dbraw/zinc/35/88/61/1203358861.db2.gz IZDFVTOSVWXSGV-HNNXBMFYSA-N 0 3 318.436 3.326 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2ccccc2)CCC1 ZINC001715524464 1203360983 /nfs/dbraw/zinc/36/09/83/1203360983.db2.gz KYPXLALGHSMRDE-UHFFFAOYSA-N 0 3 300.446 3.075 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001715537536 1203366562 /nfs/dbraw/zinc/36/65/62/1203366562.db2.gz SUXHVYGWAATDHR-UHFFFAOYSA-N 0 3 314.473 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(Cl)c1F ZINC001715680129 1203380492 /nfs/dbraw/zinc/38/04/92/1203380492.db2.gz QHSXKAUPZAWOJH-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001715685001 1203380613 /nfs/dbraw/zinc/38/06/13/1203380613.db2.gz PXRNJUUPXOBOOR-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001715816543 1203394848 /nfs/dbraw/zinc/39/48/48/1203394848.db2.gz NJCQPROIRXZCAM-OAHLLOKOSA-N 0 3 304.409 3.080 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1ccc(F)cc1 ZINC001715853738 1203397923 /nfs/dbraw/zinc/39/79/23/1203397923.db2.gz PUSIVTQUFDAIMF-AATRIKPKSA-N 0 3 304.409 3.190 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc2cc[nH]c2c1 ZINC001715920654 1203404615 /nfs/dbraw/zinc/40/46/15/1203404615.db2.gz XURASEFBJSDJFQ-UHFFFAOYSA-N 0 3 313.445 3.270 20 30 DGEDHN CCCCC1(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001715947470 1203409132 /nfs/dbraw/zinc/40/91/32/1203409132.db2.gz ZHIFJXQTRNUPGI-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C[C@@H](NC[C@H](C)NC(=O)C#CC1CC1)c1cccc(Cl)c1F ZINC001715975056 1203414373 /nfs/dbraw/zinc/41/43/73/1203414373.db2.gz RFYTZIVNPGXUAI-NWDGAFQWSA-N 0 3 322.811 3.048 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001715988008 1203416610 /nfs/dbraw/zinc/41/66/10/1203416610.db2.gz FJVJNONRWCYNCE-ZDUSSCGKSA-N 0 3 300.402 3.239 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H](C)CNCc1ccccn1)c1ccccc1 ZINC001716008514 1203420584 /nfs/dbraw/zinc/42/05/84/1203420584.db2.gz WIQWYTFHOKOVIF-QFBILLFUSA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CC[C@H]1CCc2ccccc21 ZINC001716011962 1203421751 /nfs/dbraw/zinc/42/17/51/1203421751.db2.gz FQXGTIDURWJMGL-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CCCc1ccc(Cl)cc1 ZINC001716032912 1203429978 /nfs/dbraw/zinc/42/99/78/1203429978.db2.gz SKXNYKHKKDMFOQ-AWEZNQCLSA-N 0 3 308.853 3.285 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(CC)c1 ZINC001716036189 1203431132 /nfs/dbraw/zinc/43/11/32/1203431132.db2.gz XMHMHFPOCSNQAD-HNNXBMFYSA-N 0 3 302.462 3.398 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)CCc1scnc1C ZINC001716044038 1203434443 /nfs/dbraw/zinc/43/44/43/1203434443.db2.gz JWHFGAFPNNBJOV-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(OC)c1 ZINC001716045981 1203434926 /nfs/dbraw/zinc/43/49/26/1203434926.db2.gz UTWBGIKEAIMACM-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN CCC[C@H](C)C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001716127066 1203441387 /nfs/dbraw/zinc/44/13/87/1203441387.db2.gz DWTKKICELTZOHS-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C2CC2)nc1C ZINC001716175730 1203446207 /nfs/dbraw/zinc/44/62/07/1203446207.db2.gz WGEZBCNXMVYFJO-GFCCVEGCSA-N 0 3 321.852 3.118 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1nc(C)cs1 ZINC001716177568 1203446225 /nfs/dbraw/zinc/44/62/25/1203446225.db2.gz ZQJCDQTVASOYAG-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c[nH]c2ccc(F)cc12 ZINC001716200108 1203448242 /nfs/dbraw/zinc/44/82/42/1203448242.db2.gz JNRMPMJSCJDMDA-LLVKDONJSA-N 0 3 323.799 3.158 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001716407266 1203467540 /nfs/dbraw/zinc/46/75/40/1203467540.db2.gz FJVJNONRWCYNCE-CYBMUJFWSA-N 0 3 300.402 3.239 20 30 DGEDHN C[C@@H](CNCc1ccc(Cl)s1)NC(=O)C#CC(C)(C)C ZINC001716436745 1203473952 /nfs/dbraw/zinc/47/39/52/1203473952.db2.gz ILHJLMGFNCFZPP-NSHDSACASA-N 0 3 312.866 3.045 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001716489712 1203488750 /nfs/dbraw/zinc/48/87/50/1203488750.db2.gz OLBNMNKRJICALH-IVOILVROSA-N 0 3 300.446 3.349 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001716620226 1203507584 /nfs/dbraw/zinc/50/75/84/1203507584.db2.gz MBIYPGCBBLPCPW-OAHLLOKOSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001716658850 1203515849 /nfs/dbraw/zinc/51/58/49/1203515849.db2.gz OAJMPIHQYOVFPR-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001716658713 1203516110 /nfs/dbraw/zinc/51/61/10/1203516110.db2.gz LMWHXVZZQVUKDZ-CHWSQXEVSA-N 0 3 308.388 3.346 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001716662239 1203517882 /nfs/dbraw/zinc/51/78/82/1203517882.db2.gz BYTUTAMXMUIKTA-KRWDZBQOSA-N 0 3 302.462 3.424 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001716664039 1203518933 /nfs/dbraw/zinc/51/89/33/1203518933.db2.gz KCIYCJRZHYHEOW-HOCLYGCPSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001716667207 1203519644 /nfs/dbraw/zinc/51/96/44/1203519644.db2.gz WIXYXGJPTBHOHQ-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCN1CCCC)c1ccccc1 ZINC001716670674 1203520774 /nfs/dbraw/zinc/52/07/74/1203520774.db2.gz HBERVVWNFIKSIS-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccccc2C(C)C)CC1 ZINC001716680617 1203524267 /nfs/dbraw/zinc/52/42/67/1203524267.db2.gz DTQXMFDKLHWUTK-UHFFFAOYSA-N 0 3 312.457 3.352 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC(F)F ZINC001716710766 1203530059 /nfs/dbraw/zinc/53/00/59/1203530059.db2.gz JEHKPBUICVACKS-KGLIPLIRSA-N 0 3 314.420 3.309 20 30 DGEDHN C#CCN(C(=O)CCc1cccc(C)c1)C1CCN(CC=C)CC1 ZINC001716807905 1203545409 /nfs/dbraw/zinc/54/54/09/1203545409.db2.gz BTDRUGPBWLNABS-UHFFFAOYSA-N 0 3 324.468 3.040 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1c(C)noc1C)C1CCCC1 ZINC001716815427 1203546813 /nfs/dbraw/zinc/54/68/13/1203546813.db2.gz UKXDBELTUMIIPP-QGZVFWFLSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001716852693 1203556223 /nfs/dbraw/zinc/55/62/23/1203556223.db2.gz LJVLYDMHOGPCNS-ACJLOTCBSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001716898144 1203565903 /nfs/dbraw/zinc/56/59/03/1203565903.db2.gz PKEGIVKJVJMZSK-OAHLLOKOSA-N 0 3 320.399 3.369 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001716901905 1203566521 /nfs/dbraw/zinc/56/65/21/1203566521.db2.gz RVYNAVWFMWTOIS-BJLQDIEVSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001716902244 1203566759 /nfs/dbraw/zinc/56/67/59/1203566759.db2.gz ZSPKLVMKDNKDMT-IEBWSBKVSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](CC)CCCC ZINC001717034921 1203579584 /nfs/dbraw/zinc/57/95/84/1203579584.db2.gz DAGMXCUWASRWID-OKZBNKHCSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC=C)CCCCC1 ZINC001717038273 1203579856 /nfs/dbraw/zinc/57/98/56/1203579856.db2.gz LITYYQLCTNAAKE-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001717091966 1203584012 /nfs/dbraw/zinc/58/40/12/1203584012.db2.gz WXBGABNJOXUVPN-BPUTZDHNSA-N 0 3 310.869 3.003 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C(C)C ZINC001717112774 1203586037 /nfs/dbraw/zinc/58/60/37/1203586037.db2.gz AHNLQGDHYAXJMV-INIZCTEOSA-N 0 3 300.446 3.050 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](CC)SC)cc1 ZINC001717115706 1203586334 /nfs/dbraw/zinc/58/63/34/1203586334.db2.gz NDPDSWOROAIADL-YOEHRIQHSA-N 0 3 318.486 3.118 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001717158017 1203593117 /nfs/dbraw/zinc/59/31/17/1203593117.db2.gz HAPLSOYGXMMVIJ-INIZCTEOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2ncccc2C)CC1 ZINC001717199175 1203598232 /nfs/dbraw/zinc/59/82/32/1203598232.db2.gz HWQVFPHGYNJFRL-KRWDZBQOSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001717201905 1203599283 /nfs/dbraw/zinc/59/92/83/1203599283.db2.gz KNCADTNHTHLLIC-QUCCMNQESA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001717209015 1203601754 /nfs/dbraw/zinc/60/17/54/1203601754.db2.gz ODQOPAOWABLFPO-UHFFFAOYSA-N 0 3 314.454 3.237 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001717246931 1203609814 /nfs/dbraw/zinc/60/98/14/1203609814.db2.gz WEOGSSHCBHHZME-MJGOQNOKSA-N 0 3 322.468 3.243 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)CC(C)C)C2 ZINC001717247633 1203609899 /nfs/dbraw/zinc/60/98/99/1203609899.db2.gz MAAAJCLWGNBBMQ-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001717343829 1203622455 /nfs/dbraw/zinc/62/24/55/1203622455.db2.gz BNEVTOBJCMRTDJ-SFHVURJKSA-N 0 3 300.446 3.467 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C[C@H]1CC(C)(C)CO1 ZINC001717366392 1203627092 /nfs/dbraw/zinc/62/70/92/1203627092.db2.gz ZKJBEFABWSZZMM-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(F)c2occc21 ZINC001717375785 1203629930 /nfs/dbraw/zinc/62/99/30/1203629930.db2.gz CNHNBUXBPJQZHI-ZDUSSCGKSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001717376163 1203631106 /nfs/dbraw/zinc/63/11/06/1203631106.db2.gz LHTUHZBSTCNNMW-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCC(=O)NC1CC(CNCc2cccc(F)c2Cl)C1 ZINC001717381313 1203632465 /nfs/dbraw/zinc/63/24/65/1203632465.db2.gz HWPRWVXDAPHOPF-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717398418 1203636232 /nfs/dbraw/zinc/63/62/32/1203636232.db2.gz DXSJNUNXVIADRS-ZIAGYGMSSA-N 0 3 319.424 3.116 20 30 DGEDHN C=CCOCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001717467102 1203653061 /nfs/dbraw/zinc/65/30/61/1203653061.db2.gz UYZVJAXPJOJGQF-KGLIPLIRSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCOCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001717467150 1203653163 /nfs/dbraw/zinc/65/31/63/1203653163.db2.gz WJCPCEWFCHWHQV-KGLIPLIRSA-N 0 3 324.852 3.040 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001717483097 1203659724 /nfs/dbraw/zinc/65/97/24/1203659724.db2.gz HVKOYVUMWMECBZ-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C[C@H](CNC(=O)CCC1(C)CC1)N(C)Cc1ccc(C#N)cc1 ZINC001717495738 1203665224 /nfs/dbraw/zinc/66/52/24/1203665224.db2.gz XWHBBTJKWLMTCB-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2cnoc2C)CCCCC1 ZINC001717524213 1203671515 /nfs/dbraw/zinc/67/15/15/1203671515.db2.gz VDILXKIIYHXNNN-UHFFFAOYSA-N 0 3 319.449 3.248 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001717557605 1203681492 /nfs/dbraw/zinc/68/14/92/1203681492.db2.gz WZJKDNSAHDTFJQ-HUUCEWRRSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001717556879 1203681618 /nfs/dbraw/zinc/68/16/18/1203681618.db2.gz KEZCWZIBRSHXBR-KRWDZBQOSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575534 1203683923 /nfs/dbraw/zinc/68/39/23/1203683923.db2.gz GJTIADOJWMHOKS-PBHICJAKSA-N 0 3 316.445 3.187 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575534 1203683924 /nfs/dbraw/zinc/68/39/24/1203683924.db2.gz GJTIADOJWMHOKS-PBHICJAKSA-N 0 3 316.445 3.187 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H](C)c2ccco2)C(C)(C)C1 ZINC001717587555 1203686994 /nfs/dbraw/zinc/68/69/94/1203686994.db2.gz HJQFUAYEJZPYKR-ZBFHGGJFSA-N 0 3 304.434 3.176 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2cccc(F)c2F)C1 ZINC001717641836 1203693027 /nfs/dbraw/zinc/69/30/27/1203693027.db2.gz YCWHRGDYTJBIFH-CTYIDZIISA-N 0 3 322.399 3.306 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001717737467 1203706995 /nfs/dbraw/zinc/70/69/95/1203706995.db2.gz GKRMPHYBMKJIFP-SWLSCSKDSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](CCC)CC1CCCC1 ZINC001717745637 1203708976 /nfs/dbraw/zinc/70/89/76/1203708976.db2.gz ZMIYRCBRYYFAQA-SJLPKXTDSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C2=CCCC2)cc1 ZINC001717755826 1203711064 /nfs/dbraw/zinc/71/10/64/1203711064.db2.gz IFKJJZVOKXZZHS-MRXNPFEDSA-N 0 3 310.441 3.327 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H](C)NC[C@@H](F)CC)CCCCC1 ZINC001717757975 1203711719 /nfs/dbraw/zinc/71/17/19/1203711719.db2.gz RYLDSYLKGWXANY-CVEARBPZSA-N 0 3 310.457 3.145 20 30 DGEDHN CCCC(=O)N1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@H]1C ZINC001717785750 1203711881 /nfs/dbraw/zinc/71/18/81/1203711881.db2.gz DVNYFULFWGUITL-RHSMWYFYSA-N 0 3 318.848 3.071 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001717808010 1203714625 /nfs/dbraw/zinc/71/46/25/1203714625.db2.gz HIGPUXLGBJDXCP-LRDDRELGSA-N 0 3 308.372 3.010 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCCC3CCCC3)CCC[C@@H]12 ZINC001717841355 1203719725 /nfs/dbraw/zinc/71/97/25/1203719725.db2.gz QDLLENJQACCLPP-QUCCMNQESA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sccc2F)[C@H]1C ZINC001717850978 1203721783 /nfs/dbraw/zinc/72/17/83/1203721783.db2.gz ASJDPUGEMRCOEQ-TZMCWYRMSA-N 0 3 310.438 3.436 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C(F)F)CCCC2)[C@H]1C ZINC001717855516 1203722646 /nfs/dbraw/zinc/72/26/46/1203722646.db2.gz HPWVFMUVVRYWLM-KGLIPLIRSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cccc(Cl)c2)[C@H]1C ZINC001717855643 1203722718 /nfs/dbraw/zinc/72/27/18/1203722718.db2.gz IWDMGWSMVBJMII-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(C)c(C)n1)C(C)C ZINC001717950150 1203733494 /nfs/dbraw/zinc/73/34/94/1203733494.db2.gz OLZCSAMCAUDOAI-UHFFFAOYSA-N 0 3 303.450 3.057 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(Cl)cs1)C(C)C ZINC001717951420 1203734261 /nfs/dbraw/zinc/73/42/61/1203734261.db2.gz TVZFKKWVDPJKNA-UHFFFAOYSA-N 0 3 312.866 3.207 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001717985163 1203740484 /nfs/dbraw/zinc/74/04/84/1203740484.db2.gz ACMFLKKYKSDVLA-FXAWDEMLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1ccc(F)cc1Cl ZINC001722985203 1203955637 /nfs/dbraw/zinc/95/56/37/1203955637.db2.gz PXZVHLVOIRDIPX-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001723031334 1203956434 /nfs/dbraw/zinc/95/64/34/1203956434.db2.gz KHVSPGFUNFLURM-UHFFFAOYSA-N 0 3 309.841 3.029 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1sccc1CC ZINC001723485228 1203977941 /nfs/dbraw/zinc/97/79/41/1203977941.db2.gz VXCGPSUJPBRKDB-HIFRSBDPSA-N 0 3 306.475 3.469 20 30 DGEDHN CC[C@H](C)CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001723571115 1203983069 /nfs/dbraw/zinc/98/30/69/1203983069.db2.gz ZEJKXTRBHJNDLV-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CCCC)CC2)C1 ZINC001723598119 1203983557 /nfs/dbraw/zinc/98/35/57/1203983557.db2.gz YDRBYHRWTPUDPH-INIZCTEOSA-N 0 3 312.885 3.490 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(CC=C)CC=C)C1 ZINC001723605670 1203984676 /nfs/dbraw/zinc/98/46/76/1203984676.db2.gz AQSUXZNMUQZHPR-RTBURBONSA-N 0 3 314.473 3.091 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@](C)(F)CCCC)C2)CC1 ZINC001723698586 1203988970 /nfs/dbraw/zinc/98/89/70/1203988970.db2.gz QEVAZWLJWQXTJS-GOSISDBHSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001723970474 1203999759 /nfs/dbraw/zinc/99/97/59/1203999759.db2.gz HUWRCTRJFUBSNX-PZJWPPBQSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN(C(=O)/C=C/C(C)(C)C)C1CCN(CC=C(C)C)CC1 ZINC001724037105 1204002255 /nfs/dbraw/zinc/00/22/55/1204002255.db2.gz XTULYZFGFYTQQX-XYOKQWHBSA-N 0 3 316.489 3.481 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001724119231 1204005852 /nfs/dbraw/zinc/00/58/52/1204005852.db2.gz VYDYCXHSHIWGAD-KSZLIROESA-N 0 3 322.468 3.384 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001724330865 1204022633 /nfs/dbraw/zinc/02/26/33/1204022633.db2.gz RWXMUBAZFDTOGC-FQEVSTJZSA-N 0 3 323.440 3.023 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2ccsc2)C1 ZINC001724334162 1204023334 /nfs/dbraw/zinc/02/33/34/1204023334.db2.gz SMYISRGEUCZQHI-RHSMWYFYSA-N 0 3 306.475 3.256 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2ccsc2)C1 ZINC001724334161 1204023423 /nfs/dbraw/zinc/02/34/23/1204023423.db2.gz SMYISRGEUCZQHI-PBHICJAKSA-N 0 3 306.475 3.256 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001724343571 1204023614 /nfs/dbraw/zinc/02/36/14/1204023614.db2.gz SPBHHLQUJUTVNN-ZHALLVOQSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC001724720636 1204039748 /nfs/dbraw/zinc/03/97/48/1204039748.db2.gz LGNFUTUQMRTCPX-CQSZACIVSA-N 0 3 323.868 3.332 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001724741706 1204042193 /nfs/dbraw/zinc/04/21/93/1204042193.db2.gz PYCKEFYDYZXXIC-RBUKOAKNSA-N 0 3 312.457 3.357 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC001724745162 1204042620 /nfs/dbraw/zinc/04/26/20/1204042620.db2.gz SCLCUGOVUHQAAF-BBRMVZONSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001724748948 1204043231 /nfs/dbraw/zinc/04/32/31/1204043231.db2.gz LOZTYDHSADLUFT-WQANXHIZSA-N 0 3 310.441 3.023 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC001724752357 1204043819 /nfs/dbraw/zinc/04/38/19/1204043819.db2.gz VVWCCAGVGUGLAZ-HNNXBMFYSA-N 0 3 324.827 3.350 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](C)CCCCC)C2)CC1 ZINC001724759646 1204044299 /nfs/dbraw/zinc/04/42/99/1204044299.db2.gz MALMAZKCXICJLL-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)C3(C4CC4)CC3)cccc2C1 ZINC001724775737 1204045517 /nfs/dbraw/zinc/04/55/17/1204045517.db2.gz CODJSCVHYXEKDQ-UHFFFAOYSA-N 0 3 324.468 3.427 20 30 DGEDHN CC#CCNC1(CNC(=O)c2oc3ccccc3c2CC)CCC1 ZINC001724799472 1204048791 /nfs/dbraw/zinc/04/87/91/1204048791.db2.gz FYPKVEIEOGRJJK-UHFFFAOYSA-N 0 3 324.424 3.261 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)C(C)C ZINC001724893594 1204063660 /nfs/dbraw/zinc/06/36/60/1204063660.db2.gz KQXVXTGGMQWJLK-SFHVURJKSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CC[C@@H](C)OC)cc2C1 ZINC001724922231 1204065764 /nfs/dbraw/zinc/06/57/64/1204065764.db2.gz DOHHWSOMXGHIDV-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ncccc2C)[C@@H](C)C1 ZINC001725000471 1204077068 /nfs/dbraw/zinc/07/70/68/1204077068.db2.gz YWDTXFFPIOENFS-DLBZAZTESA-N 0 3 315.461 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C2CC2)nc1C ZINC001725007182 1204078864 /nfs/dbraw/zinc/07/88/64/1204078864.db2.gz JYXJBEMSGMIFIW-LBPRGKRZSA-N 0 3 321.852 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)cccc1Cl ZINC001725006516 1204078916 /nfs/dbraw/zinc/07/89/16/1204078916.db2.gz NFXYTCBWRNUEMZ-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)CC1CCCCC1 ZINC001725034657 1204082222 /nfs/dbraw/zinc/08/22/22/1204082222.db2.gz FRIKLCBKFSOZBF-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nsc2ccccc21 ZINC001725041425 1204084213 /nfs/dbraw/zinc/08/42/13/1204084213.db2.gz KZTXLLVSWKNSNN-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001725085915 1204091396 /nfs/dbraw/zinc/09/13/96/1204091396.db2.gz QVFOXIIPQBTINX-DMNRVOQQSA-N 0 3 316.420 3.016 20 30 DGEDHN CC(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1)=C1CCC1 ZINC001725094778 1204093390 /nfs/dbraw/zinc/09/33/90/1204093390.db2.gz QHAKHYFAYHFZBD-SJORKVTESA-N 0 3 310.441 3.021 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001725138816 1204101764 /nfs/dbraw/zinc/10/17/64/1204101764.db2.gz ZJQYLOJPWLBEIT-MSOLQXFVSA-N 0 3 312.457 3.267 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC001725179505 1204112654 /nfs/dbraw/zinc/11/26/54/1204112654.db2.gz RRMYMSVTWWETQJ-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001725262506 1204129672 /nfs/dbraw/zinc/12/96/72/1204129672.db2.gz FLCSTBZEIYRTOI-LBPRGKRZSA-N 0 3 324.827 3.034 20 30 DGEDHN Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)C#CC(C)(C)C)c1 ZINC001725480257 1204156491 /nfs/dbraw/zinc/15/64/91/1204156491.db2.gz JFIASNUWRVOUAM-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)C#CC(C)(C)C)c1 ZINC001725480255 1204156551 /nfs/dbraw/zinc/15/65/51/1204156551.db2.gz JFIASNUWRVOUAM-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C[C@@H](CN(C)C(=O)CCC1CCC1)NCc1ccc(C#N)s1 ZINC001725481873 1204156595 /nfs/dbraw/zinc/15/65/95/1204156595.db2.gz QFKUTVDXIRFAPW-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccccc1C(C)(C)CC ZINC001725493281 1204158209 /nfs/dbraw/zinc/15/82/09/1204158209.db2.gz DEKDIFJGIIAGHL-INIZCTEOSA-N 0 3 314.473 3.448 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001725504011 1204160545 /nfs/dbraw/zinc/16/05/45/1204160545.db2.gz IDOREISMFREEPY-SJKOYZFVSA-N 0 3 323.506 3.299 20 30 DGEDHN C[C@@H](CN(C)C(=O)CCCC1CC1)NCC#Cc1ccccc1 ZINC001725504475 1204160973 /nfs/dbraw/zinc/16/09/73/1204160973.db2.gz LOAQBJCIGBTBMX-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001725610377 1204178546 /nfs/dbraw/zinc/17/85/46/1204178546.db2.gz KDSDVBXQZQUGCF-PKOBYXMFSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)[C@H]1C ZINC001725644570 1204189827 /nfs/dbraw/zinc/18/98/27/1204189827.db2.gz YEIZACIVVSWXFM-SJLPKXTDSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](CNCc2oc(C)nc2C)C1 ZINC001725650644 1204191691 /nfs/dbraw/zinc/19/16/91/1204191691.db2.gz CURDRYFAVDJPGU-JKSUJKDBSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)C(C)C ZINC001725731615 1204204373 /nfs/dbraw/zinc/20/43/73/1204204373.db2.gz FCMUYIWUTRHTTG-IRXDYDNUSA-N 0 3 310.482 3.079 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(F)cc1F)C(C)C ZINC001725732638 1204204653 /nfs/dbraw/zinc/20/46/53/1204204653.db2.gz JAKQAUZEVJZWJE-UHFFFAOYSA-N 0 3 310.388 3.323 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001725751473 1204211719 /nfs/dbraw/zinc/21/17/19/1204211719.db2.gz ZLSNKBLKPUOCMD-AWEZNQCLSA-N 0 3 309.479 3.120 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(COC)cs1)C(C)C ZINC001725764033 1204216115 /nfs/dbraw/zinc/21/61/15/1204216115.db2.gz MILQHBUCZUBWOK-UHFFFAOYSA-N 0 3 324.490 3.253 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001725774922 1204218942 /nfs/dbraw/zinc/21/89/42/1204218942.db2.gz HIUXUYINBBZMQE-MAUKXSAKSA-N 0 3 322.468 3.145 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC001731375187 1204387890 /nfs/dbraw/zinc/38/78/90/1204387890.db2.gz JXLNUDQQCASGBY-CYBMUJFWSA-N 0 3 321.490 3.211 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C(CCC)CCC)CC1 ZINC001731381292 1204389240 /nfs/dbraw/zinc/38/92/40/1204389240.db2.gz IRSBYEOVBDGNAJ-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001731382116 1204389283 /nfs/dbraw/zinc/38/92/83/1204389283.db2.gz XTQSNFPCONFHPV-BPLPYTOXSA-N 0 3 322.880 3.293 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001731382115 1204389443 /nfs/dbraw/zinc/38/94/43/1204389443.db2.gz XTQSNFPCONFHPV-AYAUWGRQSA-N 0 3 322.880 3.293 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC001731413293 1204403067 /nfs/dbraw/zinc/40/30/67/1204403067.db2.gz HREJAAHKTQLENE-GOSISDBHSA-N 0 3 315.461 3.108 20 30 DGEDHN C[C@H](N[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)C1)c1ccccc1F ZINC001731445194 1204414693 /nfs/dbraw/zinc/41/46/93/1204414693.db2.gz YJLZTPNJRYOQJM-KKUMJFAQSA-N 0 3 316.420 3.173 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001731482660 1204427199 /nfs/dbraw/zinc/42/71/99/1204427199.db2.gz FYAHSGARMZYTFT-SOUVJXGZSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001731485476 1204427807 /nfs/dbraw/zinc/42/78/07/1204427807.db2.gz RIJCCEFWHFCIDR-SOUVJXGZSA-N 0 3 304.409 3.480 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001731492935 1204431104 /nfs/dbraw/zinc/43/11/04/1204431104.db2.gz KBOXUBGJFPRSLX-PHIMTYICSA-N 0 3 324.774 3.098 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1CCOC1CCC1 ZINC001731540399 1204451020 /nfs/dbraw/zinc/45/10/20/1204451020.db2.gz GLCPPGDZMRZLPY-VQIMIIECSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1CCOC1CCC1 ZINC001731540397 1204451487 /nfs/dbraw/zinc/45/14/87/1204451487.db2.gz GLCPPGDZMRZLPY-LPHOPBHVSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCOc1ccccc1 ZINC001731541348 1204451849 /nfs/dbraw/zinc/45/18/49/1204451849.db2.gz IERBPFXODPHHOW-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1ccccc1C ZINC001731542119 1204452245 /nfs/dbraw/zinc/45/22/45/1204452245.db2.gz VFOROOJIMCVZAV-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001731543274 1204453447 /nfs/dbraw/zinc/45/34/47/1204453447.db2.gz VNEJAYGPQGIYNK-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001731549654 1204456215 /nfs/dbraw/zinc/45/62/15/1204456215.db2.gz BHDFVSIAVCBZRR-SJORKVTESA-N 0 3 302.462 3.067 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001731557613 1204460996 /nfs/dbraw/zinc/46/09/96/1204460996.db2.gz HBHSFQAEAYKFGU-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN CCC1(C(=O)NCC[C@@H](C)NCc2ccccc2C#N)CCC1 ZINC001731732658 1204527683 /nfs/dbraw/zinc/52/76/83/1204527683.db2.gz ILVZRFHSRUAQHI-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCC(=O)NCCC[C@H]1CCCN1Cc1cc(C)ns1 ZINC001731744309 1204533046 /nfs/dbraw/zinc/53/30/46/1204533046.db2.gz HJNXLCFPAXWRBI-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2ccc(CF)cc2)C1 ZINC001731810576 1204577431 /nfs/dbraw/zinc/57/74/31/1204577431.db2.gz FNHQJNAPMPZAOY-UHFFFAOYSA-N 0 3 318.436 3.451 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001731824059 1204587187 /nfs/dbraw/zinc/58/71/87/1204587187.db2.gz NOOCTBMJJSOWCW-HXUWFJFHSA-N 0 3 324.468 3.059 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001731829429 1204589684 /nfs/dbraw/zinc/58/96/84/1204589684.db2.gz XHNOVCGLYPTWHC-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(-c2ccccc2)[nH]1)C1CC1 ZINC001731883780 1204622910 /nfs/dbraw/zinc/62/29/10/1204622910.db2.gz OJMRONVDCRUHHC-UHFFFAOYSA-N 0 3 309.413 3.062 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc(C)ccc1C)c1ccccc1 ZINC001732026494 1204654084 /nfs/dbraw/zinc/65/40/84/1204654084.db2.gz VXJHWWQAJAJJEM-HXUWFJFHSA-N 0 3 320.436 3.387 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC001732027188 1204654092 /nfs/dbraw/zinc/65/40/92/1204654092.db2.gz QGQKOCKILPMUIN-MAUKXSAKSA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001732035621 1204658810 /nfs/dbraw/zinc/65/88/10/1204658810.db2.gz XUJZGRKZNBUOST-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001732035621 1204658818 /nfs/dbraw/zinc/65/88/18/1204658818.db2.gz XUJZGRKZNBUOST-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(Cc2cncs2)C1 ZINC001732053591 1204671146 /nfs/dbraw/zinc/67/11/46/1204671146.db2.gz OENXBLLYDYDRCH-RHSMWYFYSA-N 0 3 321.490 3.074 20 30 DGEDHN CC#CCCCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001732130702 1204706141 /nfs/dbraw/zinc/70/61/41/1204706141.db2.gz INOCDYXIWLJOHN-QGZVFWFLSA-N 0 3 312.457 3.298 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001732132186 1204706617 /nfs/dbraw/zinc/70/66/17/1204706617.db2.gz VWLFZQZQIFGAMF-HZPDHXFCSA-N 0 3 300.446 3.398 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001732132783 1204707291 /nfs/dbraw/zinc/70/72/91/1204707291.db2.gz ZUMFDVKMVBJTJB-UHFFFAOYSA-N 0 3 300.446 3.009 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC=CCCC1 ZINC001732145707 1204712952 /nfs/dbraw/zinc/71/29/52/1204712952.db2.gz UTBUZLFECUZRFF-BZSNNMDCSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001732157684 1204718098 /nfs/dbraw/zinc/71/80/98/1204718098.db2.gz JVDKTHPZHRGAPG-SFHVURJKSA-N 0 3 300.446 3.302 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001732163105 1204721411 /nfs/dbraw/zinc/72/14/11/1204721411.db2.gz NZJDPVHCZDPFOE-WRFKIARRSA-N 0 3 316.420 3.338 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](CCC)c2ccccn2)C1 ZINC001732168064 1204724953 /nfs/dbraw/zinc/72/49/53/1204724953.db2.gz HVQXHAMBAGFBKX-IAGOWNOFSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001732173486 1204728689 /nfs/dbraw/zinc/72/86/89/1204728689.db2.gz PABQYHITRWQVSH-RTBURBONSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)NCc1cc2ccccc2o1 ZINC001732199184 1204745857 /nfs/dbraw/zinc/74/58/57/1204745857.db2.gz XILWLCFJZFSROI-INIZCTEOSA-N 0 3 312.413 3.221 20 30 DGEDHN CC[C@@H](CNC(=O)C1CC2(CCC2)C1)NCC#Cc1ccccc1 ZINC001732212170 1204752784 /nfs/dbraw/zinc/75/27/84/1204752784.db2.gz VBLFQDBXXADPQK-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1cc(C)ns1 ZINC001732222822 1204758528 /nfs/dbraw/zinc/75/85/28/1204758528.db2.gz KVWUDLNKSLPHAY-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1cnc(C)s1 ZINC001732221955 1204758596 /nfs/dbraw/zinc/75/85/96/1204758596.db2.gz ISYXPXMHNROYDL-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2=CCCCCC2)cc1 ZINC001732315293 1204789066 /nfs/dbraw/zinc/78/90/66/1204789066.db2.gz DZKSQYJFPZNMCG-UHFFFAOYSA-N 0 3 310.441 3.306 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cc(C)ns2)CCCC1 ZINC001732395831 1204818292 /nfs/dbraw/zinc/81/82/92/1204818292.db2.gz VKJUAFNSCYGHIT-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN CCCCCCCCC(=O)N1CCC2(CN(C[C@@H](C)O)C2)CC1 ZINC001732405194 1204824420 /nfs/dbraw/zinc/82/44/20/1204824420.db2.gz IZXKSXCMUMBGJU-QGZVFWFLSA-N 0 3 324.509 3.042 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001732436711 1204840136 /nfs/dbraw/zinc/84/01/36/1204840136.db2.gz JXEOLRHNZMXIQI-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN CCCCCCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001732456766 1204851348 /nfs/dbraw/zinc/85/13/48/1204851348.db2.gz KEEWDDMHNKCUHS-GOSISDBHSA-N 0 3 314.473 3.445 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](CNCc1ccccc1F)CC(C)C ZINC001732462285 1204855612 /nfs/dbraw/zinc/85/56/12/1204855612.db2.gz YUVNNPJJHWMMKW-KRWDZBQOSA-N 0 3 318.436 3.106 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001732509798 1204875696 /nfs/dbraw/zinc/87/56/96/1204875696.db2.gz GQPPDOPIOHQLSV-QGZVFWFLSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1csc(C)c1C ZINC001732698940 1204931063 /nfs/dbraw/zinc/93/10/63/1204931063.db2.gz ROUPUOPMZPJPPB-JTQLQIEISA-N 0 3 300.855 3.215 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001732729003 1204935255 /nfs/dbraw/zinc/93/52/55/1204935255.db2.gz PYAZCYMOABKSEZ-VXGBXAGGSA-N 0 3 300.855 3.089 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCCCC1(C)C ZINC001732759072 1204939406 /nfs/dbraw/zinc/93/94/06/1204939406.db2.gz JGBORXDDSDDLTE-UONOGXRCSA-N 0 3 300.874 3.440 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CNCc1csc(C)c1 ZINC001732888474 1204955131 /nfs/dbraw/zinc/95/51/31/1204955131.db2.gz FFRYJJPWJWVSGI-FPLPWBNLSA-N 0 3 304.459 3.012 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001732968338 1204967977 /nfs/dbraw/zinc/96/79/77/1204967977.db2.gz CVYWLDCBMBJHRI-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001732971100 1204969265 /nfs/dbraw/zinc/96/92/65/1204969265.db2.gz XLJHSPLYLUCLSP-PXAZEXFGSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001732993277 1204976747 /nfs/dbraw/zinc/97/67/47/1204976747.db2.gz FNLRTLCSDVDNCW-UONOGXRCSA-N 0 3 322.399 3.314 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001732994692 1204976776 /nfs/dbraw/zinc/97/67/76/1204976776.db2.gz RYVLOIQAUVCBAT-GJZGRUSLSA-N 0 3 304.409 3.175 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001733012064 1204981564 /nfs/dbraw/zinc/98/15/64/1204981564.db2.gz YLJDCBAGKXPBHA-KXBFYZLASA-N 0 3 317.477 3.402 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001733036928 1204992980 /nfs/dbraw/zinc/99/29/80/1204992980.db2.gz CQNZWNFPJABYEO-GJZGRUSLSA-N 0 3 320.864 3.497 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001733036929 1204993455 /nfs/dbraw/zinc/99/34/55/1204993455.db2.gz CQNZWNFPJABYEO-HUUCEWRRSA-N 0 3 320.864 3.497 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(Cl)c2occc21 ZINC001733060281 1205010763 /nfs/dbraw/zinc/01/07/63/1205010763.db2.gz AVTGNNOOSVXXJF-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001733076745 1205019470 /nfs/dbraw/zinc/01/94/70/1205019470.db2.gz HNFKDNTUQRQQKT-ZBFHGGJFSA-N 0 3 321.490 3.264 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001733093160 1205022456 /nfs/dbraw/zinc/02/24/56/1205022456.db2.gz RALCRNPDIZVLGO-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001733216323 1205048064 /nfs/dbraw/zinc/04/80/64/1205048064.db2.gz UZPNCRSTXJSYBO-IBGZPJMESA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001733225098 1205055112 /nfs/dbraw/zinc/05/51/12/1205055112.db2.gz FSPMBRJAEMVQQV-CABCVRRESA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001733227009 1205056568 /nfs/dbraw/zinc/05/65/68/1205056568.db2.gz JARPPRDPBCLRJI-TZMCWYRMSA-N 0 3 322.474 3.224 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001733229601 1205057982 /nfs/dbraw/zinc/05/79/82/1205057982.db2.gz LFNQTRSLOGRPAM-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC(CC)CC)C1 ZINC001733269605 1205076106 /nfs/dbraw/zinc/07/61/06/1205076106.db2.gz QFXYOTMDPWAPCR-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(CC)CC)C1 ZINC001733269603 1205076424 /nfs/dbraw/zinc/07/64/24/1205076424.db2.gz QFXYOTMDPWAPCR-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001733331695 1205098221 /nfs/dbraw/zinc/09/82/21/1205098221.db2.gz HWQAJORWEACWAK-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C#CCN(C(=O)c1cc(C)co1)C1CCN(CC=C(C)C)CC1 ZINC001733372492 1205107645 /nfs/dbraw/zinc/10/76/45/1205107645.db2.gz OMXXHYFYWGAWSH-UHFFFAOYSA-N 0 3 314.429 3.094 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001733390078 1205114356 /nfs/dbraw/zinc/11/43/56/1205114356.db2.gz CIAALKVQAZRNOR-IVEQORNPSA-N 0 3 310.869 3.410 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001733413018 1205124621 /nfs/dbraw/zinc/12/46/21/1205124621.db2.gz PYIOAJWXPOFVMS-LRDDRELGSA-N 0 3 324.877 3.109 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001733452554 1205137964 /nfs/dbraw/zinc/13/79/64/1205137964.db2.gz IVLWGVADDIFUAA-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001733464009 1205145616 /nfs/dbraw/zinc/14/56/16/1205145616.db2.gz SCDXATMCCIIXJP-SFNKJDCFSA-N 0 3 304.478 3.217 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H](C)c1ccccc1 ZINC001733597193 1205170595 /nfs/dbraw/zinc/17/05/95/1205170595.db2.gz AOBXWRVLJRNBBL-MISYRCLQSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CCC)CCC ZINC001733607592 1205173889 /nfs/dbraw/zinc/17/38/89/1205173889.db2.gz TUZAQIXCIHMTBZ-ZWKOTPCHSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccc(Cl)o1 ZINC001733677156 1205181658 /nfs/dbraw/zinc/18/16/58/1205181658.db2.gz FHNYJKWQADJWOH-UHFFFAOYSA-N 0 3 318.804 3.481 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cc[nH]c2CC)cc1 ZINC001733682357 1205184220 /nfs/dbraw/zinc/18/42/20/1205184220.db2.gz RJKAENPDIHLZCS-HNNXBMFYSA-N 0 3 323.440 3.181 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cc(F)cc(F)c2)CCC1 ZINC001733715547 1205192284 /nfs/dbraw/zinc/19/22/84/1205192284.db2.gz UDIIQRXDASSMLS-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN CC#CCNC1(CNC(=O)C2(c3cccc(C)c3)CCC2)CCC1 ZINC001733720961 1205193623 /nfs/dbraw/zinc/19/36/23/1205193623.db2.gz RCSXTIQXYSIWMQ-UHFFFAOYSA-N 0 3 324.468 3.069 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001733766364 1205204605 /nfs/dbraw/zinc/20/46/05/1205204605.db2.gz FJYSEHLOXRSCKZ-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001733770902 1205208041 /nfs/dbraw/zinc/20/80/41/1205208041.db2.gz UUPZWAJUGPJKSD-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1c(C)cccc1Cl ZINC001733776540 1205213290 /nfs/dbraw/zinc/21/32/90/1205213290.db2.gz NUFPTLXTYCVJKO-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CCC2CCCCCC2)C[C@H]1C ZINC001733897015 1205244375 /nfs/dbraw/zinc/24/43/75/1205244375.db2.gz DHIKHLCXJCGYCZ-AEFFLSMTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001733898210 1205245269 /nfs/dbraw/zinc/24/52/69/1205245269.db2.gz HXPOVKHMVZCLSU-PBHICJAKSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC001733908986 1205251326 /nfs/dbraw/zinc/25/13/26/1205251326.db2.gz FCASRYBCYBGJRX-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CCF)CC1 ZINC001733922536 1205255193 /nfs/dbraw/zinc/25/51/93/1205255193.db2.gz YOGPFXNAXWXTER-IAGOWNOFSA-N 0 3 316.420 3.074 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC001733931749 1205261398 /nfs/dbraw/zinc/26/13/98/1205261398.db2.gz HZKDXJZKXXUWIO-IBGZPJMESA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cc2ccccc2o1 ZINC001733966643 1205273491 /nfs/dbraw/zinc/27/34/91/1205273491.db2.gz UMYBFVGHBADKJN-UONOGXRCSA-N 0 3 300.402 3.382 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cc(C)ns1 ZINC001733998275 1205283551 /nfs/dbraw/zinc/28/35/51/1205283551.db2.gz XPPCPBGHUCIRMC-QWHCGFSZSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001734042298 1205300996 /nfs/dbraw/zinc/30/09/96/1205300996.db2.gz CBJHYCOVDGXASX-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(CF)cc1 ZINC001734052532 1205306972 /nfs/dbraw/zinc/30/69/72/1205306972.db2.gz ZQXGDAZONJXXEB-MRXNPFEDSA-N 0 3 318.436 3.286 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001734067226 1205314510 /nfs/dbraw/zinc/31/45/10/1205314510.db2.gz KLSAYJNFYIRPKB-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCc1ccsc1 ZINC001734103492 1205324120 /nfs/dbraw/zinc/32/41/20/1205324120.db2.gz JANNNTRYLPJLPE-KRWDZBQOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC001734107138 1205325659 /nfs/dbraw/zinc/32/56/59/1205325659.db2.gz VYUMESTVRYCCSK-JKSUJKDBSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001734120034 1205328995 /nfs/dbraw/zinc/32/89/95/1205328995.db2.gz BTYGUXDGUPYQQR-MRXNPFEDSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCCc2ccc(F)cc2)C1 ZINC001734124424 1205330735 /nfs/dbraw/zinc/33/07/35/1205330735.db2.gz RGXDTNKBABXZIE-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@]2(C)CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001734198990 1205342242 /nfs/dbraw/zinc/34/22/42/1205342242.db2.gz PUPVQIFACILXOI-QRQLOZEOSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001734343816 1205368241 /nfs/dbraw/zinc/36/82/41/1205368241.db2.gz UAPPXJRTXZODRI-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cncc(C)c2)C[C@H]1C ZINC001734422506 1205375035 /nfs/dbraw/zinc/37/50/35/1205375035.db2.gz URFXPSGRGJQVQQ-WBVHZDCISA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001734489514 1205386247 /nfs/dbraw/zinc/38/62/47/1205386247.db2.gz OHCDAQFCPHDSLL-RHSMWYFYSA-N 0 3 316.445 3.187 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1cccc(F)c1)C(C)C ZINC001734554603 1205392394 /nfs/dbraw/zinc/39/23/94/1205392394.db2.gz ORSKGGGWYDMMOC-UHFFFAOYSA-N 0 3 306.425 3.113 20 30 DGEDHN CC(C)(C)[C@H](CNCC#Cc1ccccc1)NC(=O)C1CC=CC1 ZINC001734557021 1205393661 /nfs/dbraw/zinc/39/36/61/1205393661.db2.gz VOUJPTKUZHVFRA-IBGZPJMESA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC(C)C)CC[C@H]1C(F)(F)F ZINC001734587977 1205401870 /nfs/dbraw/zinc/40/18/70/1205401870.db2.gz RHKCGZRLEZYYKA-ZIAGYGMSSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2ccc(F)cc2F)C1 ZINC001734594136 1205402842 /nfs/dbraw/zinc/40/28/42/1205402842.db2.gz LQEMQCRBIYZXQM-UHFFFAOYSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001734599674 1205404056 /nfs/dbraw/zinc/40/40/56/1205404056.db2.gz WPUUTHHAKBSSEJ-UHFFFAOYSA-N 0 3 304.409 3.261 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)CCCC3CCCC3)CC2)CC1 ZINC001734604597 1205405061 /nfs/dbraw/zinc/40/50/61/1205405061.db2.gz RMMLGIJINHOGGF-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3C=CCCC3)CC2)CC1 ZINC001734607612 1205405421 /nfs/dbraw/zinc/40/54/21/1205405421.db2.gz YJGAYRBXZGKXEW-QGZVFWFLSA-N 0 3 314.473 3.117 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C(C2CC2)C2CC2)c(F)c1 ZINC001734640655 1205408856 /nfs/dbraw/zinc/40/88/56/1205408856.db2.gz WLFWTKHJIDMZSQ-UHFFFAOYSA-N 0 3 316.420 3.154 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)c1ccc(CN(C)C2CC2)cn1 ZINC001165018389 721837459 /nfs/dbraw/zinc/83/74/59/721837459.db2.gz YQSAQBZNNUMHJI-UHFFFAOYSA-N 0 3 306.413 3.184 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666973068 1197303265 /nfs/dbraw/zinc/30/32/65/1197303265.db2.gz ZHOASQLGDWDBMA-ZIAGYGMSSA-N 0 3 319.474 3.159 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001667591699 1197365224 /nfs/dbraw/zinc/36/52/24/1197365224.db2.gz BJWXEOQNRVJCDC-UONOGXRCSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)CC(F)F)CC[C@@H]1C ZINC001132190190 1082838627 /nfs/dbraw/zinc/83/86/27/1082838627.db2.gz 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C=CCCCCCCN1CCc2ncc(C(=O)OC)cc2C1 ZINC001209438510 1081753755 /nfs/dbraw/zinc/75/37/55/1081753755.db2.gz MOZDNUIWYWRLOW-UHFFFAOYSA-N 0 3 302.418 3.363 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001109046629 1081754449 /nfs/dbraw/zinc/75/44/49/1081754449.db2.gz UKTCLUAFBLPQHZ-AABGKKOBSA-N 0 3 324.468 3.363 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)c(C)c1 ZINC001109055252 1081760852 /nfs/dbraw/zinc/76/08/52/1081760852.db2.gz VJWVJQARZBKKRO-QYZOEREBSA-N 0 3 312.457 3.491 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001109095179 1081766324 /nfs/dbraw/zinc/76/63/24/1081766324.db2.gz MJUPTNSYZMWQNZ-PMPSAXMXSA-N 0 3 320.477 3.070 20 30 DGEDHN CCC1(C(=O)NC[C@@H](NCC#Cc2ccccc2)C2CC2)CCC1 ZINC001266426331 1081786633 /nfs/dbraw/zinc/78/66/33/1081786633.db2.gz JHZCWIRILLQVNH-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(c3ccccc3)CC1)C2 ZINC001109384596 1081820878 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Cc1c(C#N)c(-n2nc(CN)c3ccccc32)nc2ccccc12 ZINC001167697414 1083104579 /nfs/dbraw/zinc/10/45/79/1083104579.db2.gz YCFIPHVJJKVLGH-UHFFFAOYSA-N 0 3 313.364 3.213 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC(C)C ZINC001133377027 1083109376 /nfs/dbraw/zinc/10/93/76/1083109376.db2.gz KDABHYXGOLOAIN-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(Cl)s1 ZINC001133378421 1083109495 /nfs/dbraw/zinc/10/94/95/1083109495.db2.gz FJFJCLJWNMEDNC-AWEZNQCLSA-N 0 3 300.855 3.210 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001133381251 1083110614 /nfs/dbraw/zinc/11/06/14/1083110614.db2.gz ZRRACATWGJXZIX-SJLPKXTDSA-N 0 3 322.399 3.260 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@@H](C)CC ZINC001133398405 1083112737 /nfs/dbraw/zinc/11/27/37/1083112737.db2.gz UOGODYWROYBBMW-HNNXBMFYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cccc(Cl)c2)CCC1 ZINC001133392189 1083114498 /nfs/dbraw/zinc/11/44/98/1083114498.db2.gz LKLOGCKTSURGJL-UHFFFAOYSA-N 0 3 306.837 3.292 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CCCCC ZINC001133691696 1083176436 /nfs/dbraw/zinc/17/64/36/1083176436.db2.gz CGAFSEZDCZYTJG-OLZOCXBDSA-N 0 3 319.287 3.348 20 30 DGEDHN CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133707542 1083177080 /nfs/dbraw/zinc/17/70/80/1083177080.db2.gz ILPBOQGJMKUSDH-GJZGRUSLSA-N 0 3 301.434 3.121 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133839372 1083201664 /nfs/dbraw/zinc/20/16/64/1083201664.db2.gz FUQOFLYZZFURFL-YPCCIVHHSA-N 0 3 313.445 3.287 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C(C)C)nc1C ZINC001133888570 1083207456 /nfs/dbraw/zinc/20/74/56/1083207456.db2.gz KKRNKYGEMYMLPS-KGLIPLIRSA-N 0 3 321.465 3.446 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001087379534 1083231017 /nfs/dbraw/zinc/23/10/17/1083231017.db2.gz FZVZMBKTIHWAAH-WYFDPXQGSA-N 0 3 322.880 3.120 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2c(s1)CCCCC2)C1CC1 ZINC001481195500 1083237429 /nfs/dbraw/zinc/23/74/29/1083237429.db2.gz SNPNUCHHVQEPEK-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134113288 1083242635 /nfs/dbraw/zinc/24/26/35/1083242635.db2.gz BLGSQMTVNXNCMN-KGLIPLIRSA-N 0 3 321.490 3.018 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134285894 1083267728 /nfs/dbraw/zinc/26/77/28/1083267728.db2.gz YMPNPAMGGMOBBC-HGXPIFGLSA-N 0 3 313.445 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001267727715 1083286303 /nfs/dbraw/zinc/28/63/03/1083286303.db2.gz LQLOQHVQYQAJJK-INIZCTEOSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001134417936 1083286780 /nfs/dbraw/zinc/28/67/80/1083286780.db2.gz CAWRZXOCVMRQIH-KBPBESRZSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001125864835 1083287344 /nfs/dbraw/zinc/28/73/44/1083287344.db2.gz FLQAYXCGBCYHAW-OAHLLOKOSA-N 0 3 306.425 3.318 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCNCc1ccc(OC)c(Cl)c1 ZINC001481235289 1083312063 /nfs/dbraw/zinc/31/20/63/1083312063.db2.gz KBAZGNSDONCZGE-UHFFFAOYSA-N 0 3 324.852 3.253 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001267760574 1083324884 /nfs/dbraw/zinc/32/48/84/1083324884.db2.gz WGKHAVZXQGYTHH-FUHWJXTLSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001267777979 1083340977 /nfs/dbraw/zinc/34/09/77/1083340977.db2.gz ULJLGZHNPZHHLO-MRXNPFEDSA-N 0 3 324.509 3.184 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001267798175 1083353622 /nfs/dbraw/zinc/35/36/22/1083353622.db2.gz BOAJXNLSGIJHCY-CZUORRHYSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)=C(C)C)NCc1ccc(C#N)s1 ZINC001267816765 1083371634 /nfs/dbraw/zinc/37/16/34/1083371634.db2.gz YOUZXVQTTQEGGF-CQSZACIVSA-N 0 3 319.474 3.351 20 30 DGEDHN CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001181057445 1083392655 /nfs/dbraw/zinc/39/26/55/1083392655.db2.gz FUXWJUHIGDBLJE-OAHLLOKOSA-N 0 3 304.434 3.167 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](CC)CC(F)F)CCCC1 ZINC001267839118 1083421178 /nfs/dbraw/zinc/42/11/78/1083421178.db2.gz ZVRWJZDQJVAZJU-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccccc1F)C1CC1 ZINC001267847455 1083439846 /nfs/dbraw/zinc/43/98/46/1083439846.db2.gz UHQBRUXITSYLTN-INIZCTEOSA-N 0 3 310.800 3.066 20 30 DGEDHN CCC[C@H](C)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181500798 1083479871 /nfs/dbraw/zinc/47/98/71/1083479871.db2.gz GCBYTKMJWLOWOA-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCCC[C@@H]1C ZINC001267870589 1083492584 /nfs/dbraw/zinc/49/25/84/1083492584.db2.gz ODPQCSIMCTWNFC-VJHAZISPSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCCC[C@@H]1C ZINC001267870588 1083492720 /nfs/dbraw/zinc/49/27/20/1083492720.db2.gz ODPQCSIMCTWNFC-GHHZWIFUSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2occc2C)C1 ZINC001267875519 1083505942 /nfs/dbraw/zinc/50/59/42/1083505942.db2.gz FGLWXISWYBVBKJ-CQSZACIVSA-N 0 3 310.825 3.172 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC001267875909 1083507754 /nfs/dbraw/zinc/50/77/54/1083507754.db2.gz PBAXCXHGDUNHGH-LFAOLKIESA-N 0 3 322.836 3.264 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](C(=O)OCCCC)C2)cc1 ZINC001204302592 1083514554 /nfs/dbraw/zinc/51/45/54/1083514554.db2.gz OIVOCQXIQXGKPO-QGZVFWFLSA-N 0 3 317.429 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001267887264 1083519775 /nfs/dbraw/zinc/51/97/75/1083519775.db2.gz FXDRXKKXLNTTNA-CABCVRRESA-N 0 3 312.885 3.393 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2(CCCC)CC2)cc1 ZINC001267939637 1083603475 /nfs/dbraw/zinc/60/34/75/1083603475.db2.gz ZZHBXCBDQUNHTP-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN N#Cc1cccc(CNCCOc2ccc(Cl)c(Cl)c2)n1 ZINC001182072621 1083621743 /nfs/dbraw/zinc/62/17/43/1083621743.db2.gz SHGMJUTYXFNYBK-UHFFFAOYSA-N 0 3 322.195 3.429 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001182112767 1083623487 /nfs/dbraw/zinc/62/34/87/1083623487.db2.gz DOPIQVGEPNMPBC-JKSUJKDBSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001267957273 1083649920 /nfs/dbraw/zinc/64/99/20/1083649920.db2.gz SLFADAKTXRNRGV-GFCCVEGCSA-N 0 3 305.249 3.242 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001182220746 1083654375 /nfs/dbraw/zinc/65/43/75/1083654375.db2.gz PVHIMLAAPHOKHG-DZGCQCFKSA-N 0 3 320.383 3.020 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001267964059 1083657470 /nfs/dbraw/zinc/65/74/70/1083657470.db2.gz ZJQXDUCTXQAIIU-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCCNC(=O)[C@@H](c1ccccc1)N(CC)CCCC ZINC001182237973 1083660350 /nfs/dbraw/zinc/66/03/50/1083660350.db2.gz YWDMHSXDLAJRAP-GOSISDBHSA-N 0 3 300.446 3.379 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1c1ccccc1 ZINC001211657999 1083676720 /nfs/dbraw/zinc/67/67/20/1083676720.db2.gz XNTDWPMDWQXLKZ-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001267987299 1083701976 /nfs/dbraw/zinc/70/19/76/1083701976.db2.gz BQSBYQQGLPFFTK-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001182415097 1083713075 /nfs/dbraw/zinc/71/30/75/1083713075.db2.gz UWCPGHSPTICPKN-HUUCEWRRSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H](C)NC/C(Cl)=C/Cl)CC1 ZINC001481327986 1083772648 /nfs/dbraw/zinc/77/26/48/1083772648.db2.gz JPLJLGYKPJTPNP-XTCQQWIJSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)OC)c1ccc(C(C)C)cc1 ZINC001481357412 1083814423 /nfs/dbraw/zinc/81/44/23/1083814423.db2.gz CJZPGVYUMXEDHG-MAUKXSAKSA-N 0 3 318.461 3.168 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC(C)(C)C1CC1)c1ccccc1 ZINC001481365096 1083826392 /nfs/dbraw/zinc/82/63/92/1083826392.db2.gz MXVIAFGRZNGTTM-QGZVFWFLSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC001481372394 1083832716 /nfs/dbraw/zinc/83/27/16/1083832716.db2.gz MODUJUFYAHNCMZ-FQEVSTJZSA-N 0 3 320.436 3.422 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001182898509 1083834538 /nfs/dbraw/zinc/83/45/38/1083834538.db2.gz ZMMBFJRSFKQCTA-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001182932837 1083848666 /nfs/dbraw/zinc/84/86/66/1083848666.db2.gz MDLIZPSPDJPJRI-MRXNPFEDSA-N 0 3 308.372 3.012 20 30 DGEDHN C=C(CN1CCCC1)C(=O)Nc1sc2ccccc2c1C#N ZINC001183039486 1083858715 /nfs/dbraw/zinc/85/87/15/1083858715.db2.gz PSPKGMQAVHNCGU-UHFFFAOYSA-N 0 3 311.410 3.363 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2cccs2)CCCC1 ZINC001268030955 1083890876 /nfs/dbraw/zinc/89/08/76/1083890876.db2.gz NDOVNNLMGRKQEY-UHFFFAOYSA-N 0 3 312.866 3.062 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCN(C)[C@@H](C(C)C)C1 ZINC001183394849 1083937566 /nfs/dbraw/zinc/93/75/66/1083937566.db2.gz HRUDCSPDWFQCGX-QGZVFWFLSA-N 0 3 320.864 3.124 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001087424565 1083961630 /nfs/dbraw/zinc/96/16/30/1083961630.db2.gz FZSAIDHRQBDRNO-NSISKUIASA-N 0 3 324.468 3.030 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3cccc(C)c3s2)C1 ZINC001183760343 1084015320 /nfs/dbraw/zinc/01/53/20/1084015320.db2.gz VGVQZSHHMNOXMU-OAHLLOKOSA-N 0 3 312.438 3.037 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183898183 1084055093 /nfs/dbraw/zinc/05/50/93/1084055093.db2.gz KRJIBRLGKRQTKO-JKSUJKDBSA-N 0 3 316.445 3.046 20 30 DGEDHN Cc1cccc(Cl)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001184108530 1084101521 /nfs/dbraw/zinc/10/15/21/1084101521.db2.gz MNBCHYHFXHHFQG-LBPRGKRZSA-N 0 3 322.817 3.454 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001481538092 1084109431 /nfs/dbraw/zinc/10/94/31/1084109431.db2.gz IUTLTJHHESNUER-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN Cc1c(Cl)cccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001184663403 1084239020 /nfs/dbraw/zinc/23/90/20/1084239020.db2.gz RQDASCOVGSIUPL-ZDUSSCGKSA-N 0 3 322.817 3.454 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001268154001 1084246711 /nfs/dbraw/zinc/24/67/11/1084246711.db2.gz VYYIQKHBCWSKKI-WOJBJXKFSA-N 0 3 324.468 3.340 20 30 DGEDHN C[C@@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC001184839326 1084273781 /nfs/dbraw/zinc/27/37/81/1084273781.db2.gz GLQBZVMKDVRRJG-QWRGUYRKSA-N 0 3 308.407 3.060 20 30 DGEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001273495379 1084295304 /nfs/dbraw/zinc/29/53/04/1084295304.db2.gz VLOFKOZKAKOCJC-GOSISDBHSA-N 0 3 303.450 3.103 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccns1 ZINC001268194214 1084303635 /nfs/dbraw/zinc/30/36/35/1084303635.db2.gz XYVKOUSNGOLLHA-GDBMZVCRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1C(C)(C)C1(C)C)C(C)C ZINC001268203354 1084318613 /nfs/dbraw/zinc/31/86/13/1084318613.db2.gz CUGCHRGHJUCTNL-GFCCVEGCSA-N 0 3 300.874 3.152 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001185057216 1084325051 /nfs/dbraw/zinc/32/50/51/1084325051.db2.gz ZZDRIVWBBJGFJK-WMLDXEAASA-N 0 3 304.409 3.119 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001481639718 1084328352 /nfs/dbraw/zinc/32/83/52/1084328352.db2.gz FUXHQIJUTXTTPT-HNAYVOBHSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001207634330 1084331950 /nfs/dbraw/zinc/33/19/50/1084331950.db2.gz AYAVOAFJQTYFQW-LBPRGKRZSA-N 0 3 312.866 3.448 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)c1cccs1)C(C)C ZINC001268219205 1084345459 /nfs/dbraw/zinc/34/54/59/1084345459.db2.gz MKNZGNHFAKFQGM-CHWSQXEVSA-N 0 3 314.882 3.335 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)CCc1ccccc1Cl ZINC001268232874 1084371575 /nfs/dbraw/zinc/37/15/75/1084371575.db2.gz NCVSMEAURHSOHK-UHFFFAOYSA-N 0 3 308.853 3.239 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001268239880 1084388599 /nfs/dbraw/zinc/38/85/99/1084388599.db2.gz UCJFOJPZDIEZSV-XZXOBPBMSA-N 0 3 310.441 3.002 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(F)cc2ccoc21 ZINC001268243214 1084395022 /nfs/dbraw/zinc/39/50/22/1084395022.db2.gz VDFQYUUJTDEVTE-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC(C)(C)c1ccccc1 ZINC001268258780 1084424324 /nfs/dbraw/zinc/42/43/24/1084424324.db2.gz FKGWMXQQGDSRNL-UHFFFAOYSA-N 0 3 302.462 3.321 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)CCC1 ZINC001185462887 1084448584 /nfs/dbraw/zinc/44/85/84/1084448584.db2.gz DZABMNURJUTUKO-QGZVFWFLSA-N 0 3 316.420 3.263 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCO1 ZINC001481669089 1084462282 /nfs/dbraw/zinc/46/22/82/1084462282.db2.gz WBAAOEFPDXWNQJ-OKZBNKHCSA-N 0 3 322.493 3.201 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001481678858 1084471142 /nfs/dbraw/zinc/47/11/42/1084471142.db2.gz YEITYWGAUXVBHR-ILXRZTDVSA-N 0 3 312.404 3.063 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001481701756 1084491859 /nfs/dbraw/zinc/49/18/59/1084491859.db2.gz YPQUKCHZYFRJRX-OXJNMPFZSA-N 0 3 324.468 3.086 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1nc(C)c(C)s1 ZINC001268370379 1084532563 /nfs/dbraw/zinc/53/25/63/1084532563.db2.gz JYLFXSCOHIDDQI-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cccc(CC)c1 ZINC001268378418 1084542175 /nfs/dbraw/zinc/54/21/75/1084542175.db2.gz INCLIQZTIGNQTC-CQSZACIVSA-N 0 3 308.853 3.028 20 30 DGEDHN CCCCCCCN1CC[C@H](N(C)C(=O)c2nccs2)C1 ZINC001481744761 1084564998 /nfs/dbraw/zinc/56/49/98/1084564998.db2.gz XLILRGZUSWPTPM-AWEZNQCLSA-N 0 3 309.479 3.260 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001186075171 1084578156 /nfs/dbraw/zinc/57/81/56/1084578156.db2.gz OHQFGNQAXSKUQL-ZWKOTPCHSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CC)C(=O)c2scnc2CC)C1 ZINC001481769883 1084624823 /nfs/dbraw/zinc/62/48/23/1084624823.db2.gz WZLAVNIEAQMCKW-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001481778350 1084630191 /nfs/dbraw/zinc/63/01/91/1084630191.db2.gz VKCDJNHGZZUFHN-CVEARBPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1ccnc(Cl)c1 ZINC001481816217 1084649558 /nfs/dbraw/zinc/64/95/58/1084649558.db2.gz YQNKTWYWXHPTGN-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN CC[C@H](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001186537467 1084663883 /nfs/dbraw/zinc/66/38/83/1084663883.db2.gz QQLNKRWKBDHTSS-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1cccc(Cl)n1 ZINC001481847754 1084665468 /nfs/dbraw/zinc/66/54/68/1084665468.db2.gz HFPSSAGDBPESLZ-GUYCJALGSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCC=C(Cl)Cl ZINC001481859341 1084671366 /nfs/dbraw/zinc/67/13/66/1084671366.db2.gz YPFIEVQRLWHYKR-LLVKDONJSA-N 0 3 307.265 3.392 20 30 DGEDHN C#CCCCC(=O)N1CCC([C@@H]2CCCN(CCF)CC2)CC1 ZINC001186589084 1084678415 /nfs/dbraw/zinc/67/84/15/1084678415.db2.gz KWVIEIIAOPPJOR-QGZVFWFLSA-N 0 3 322.468 3.100 20 30 DGEDHN CC[C@@H](CNC(=O)C[C@H](C)C1CC1)NCc1ccc(C#N)s1 ZINC001481883353 1084683650 /nfs/dbraw/zinc/68/36/50/1084683650.db2.gz XSMFKZLXOYVUFN-JSGCOSHPSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)cc(C)n2)CCCC1 ZINC001481903224 1084696112 /nfs/dbraw/zinc/69/61/12/1084696112.db2.gz ZUTCPLAOJOOFAF-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001187191847 1084768006 /nfs/dbraw/zinc/76/80/06/1084768006.db2.gz RNTIQFVIGBGSEC-CECVADTLSA-N 0 3 310.441 3.199 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccccc2C(C)C)cc1 ZINC001482031624 1084782422 /nfs/dbraw/zinc/78/24/22/1084782422.db2.gz UGCHSYBAMPAYLI-UHFFFAOYSA-N 0 3 320.436 3.463 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1sccc1Cl ZINC001268646361 1084914626 /nfs/dbraw/zinc/91/46/26/1084914626.db2.gz DSKIYVMTEYALDN-LLVKDONJSA-N 0 3 300.855 3.352 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2ccccn2)CCCCC1 ZINC001268673538 1084934130 /nfs/dbraw/zinc/93/41/30/1084934130.db2.gz GKKDNHXZFJDNII-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN Cc1cc(CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C)c(C)s1 ZINC001268729704 1084991635 /nfs/dbraw/zinc/99/16/35/1084991635.db2.gz INWDAFNQSLZOPC-CYBMUJFWSA-N 0 3 320.502 3.351 20 30 DGEDHN C[C@@H](CN(C)[C@@H](C)c1cccc(Cl)c1)NC(=O)C#CC1CC1 ZINC001268730487 1084991838 /nfs/dbraw/zinc/99/18/38/1084991838.db2.gz PIZVAXBDCBFEJD-KBPBESRZSA-N 0 3 318.848 3.251 20 30 DGEDHN Cc1cc(CN(C)C[C@H](C)NC(=O)C#CC(C)(C)C)c(C)s1 ZINC001268729715 1084991906 /nfs/dbraw/zinc/99/19/06/1084991906.db2.gz INWDAFNQSLZOPC-ZDUSSCGKSA-N 0 3 320.502 3.351 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001268731759 1084996955 /nfs/dbraw/zinc/99/69/55/1084996955.db2.gz AYSGSUJGFXIUKM-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001268732269 1084997783 /nfs/dbraw/zinc/99/77/83/1084997783.db2.gz HYXCFMMGMGVYGO-HNNXBMFYSA-N 0 3 320.452 3.407 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268741958 1085007741 /nfs/dbraw/zinc/00/77/41/1085007741.db2.gz AAWJGGWNDXFBTR-HOTGVXAUSA-N 0 3 313.445 3.097 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2cc(C#N)cs2)c(F)c1 ZINC001626399574 1085007943 /nfs/dbraw/zinc/00/79/43/1085007943.db2.gz KYRSTZSTMLYQPE-UHFFFAOYSA-N 0 3 303.362 3.073 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC001268793309 1085054702 /nfs/dbraw/zinc/05/47/02/1085054702.db2.gz NKSQLSGTKYHLEW-UHFFFAOYSA-N 0 3 324.852 3.116 20 30 DGEDHN CC(C)c1ccc([C@H](C)N2CC(CNC(=O)C#CC3CC3)C2)cc1 ZINC001268826323 1085063891 /nfs/dbraw/zinc/06/38/91/1085063891.db2.gz XVRHNCQDBSTLFC-INIZCTEOSA-N 0 3 324.468 3.332 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1nc(C)c(C)s1 ZINC001268835163 1085065233 /nfs/dbraw/zinc/06/52/33/1085065233.db2.gz FOVVKVORGVFKMU-QGZVFWFLSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001268873960 1085071670 /nfs/dbraw/zinc/07/16/70/1085071670.db2.gz CQGIGFIJFVFARE-QUCCMNQESA-N 0 3 312.457 3.324 20 30 DGEDHN C#Cc1ccccc1CC(=O)NCC1CN(CC/C=C/CCC)C1 ZINC001268900926 1085078129 /nfs/dbraw/zinc/07/81/29/1085078129.db2.gz QXWRGELXVDJKOM-VOTSOKGWSA-N 0 3 324.468 3.005 20 30 DGEDHN C=CCC1(C(=O)NCC2CN(CC[C@H](C)F)C2)CCCCC1 ZINC001268911337 1085079154 /nfs/dbraw/zinc/07/91/54/1085079154.db2.gz LNEAPAYKXCQPGQ-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OCC)C1 ZINC001268940055 1085083758 /nfs/dbraw/zinc/08/37/58/1085083758.db2.gz ZSBFKDGHYDHRES-SAGYGOJTSA-N 0 3 322.493 3.057 20 30 DGEDHN C=CCOCCC(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001268988844 1085095799 /nfs/dbraw/zinc/09/57/99/1085095799.db2.gz QHAUATORHHKBQR-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2sccc2OC)C1 ZINC001269083712 1085119298 /nfs/dbraw/zinc/11/92/98/1085119298.db2.gz KYSDYYCVKQQEBN-AWEZNQCLSA-N 0 3 322.474 3.307 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269241201 1085230241 /nfs/dbraw/zinc/23/02/41/1085230241.db2.gz SCDXKCIUEKYWQF-WMZOPIPTSA-N 0 3 312.457 3.330 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN([C@@H](C)c2cccc(C)c2)C1 ZINC001269323697 1085301073 /nfs/dbraw/zinc/30/10/73/1085301073.db2.gz AVEYIEVHWKYKAL-PXNSSMCTSA-N 0 3 324.468 3.392 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC001269337288 1085314717 /nfs/dbraw/zinc/31/47/17/1085314717.db2.gz IMXKIPOIFZLRLS-CYBMUJFWSA-N 0 3 324.827 3.178 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCN1CC/C=C/CCC ZINC001269337666 1085315290 /nfs/dbraw/zinc/31/52/90/1085315290.db2.gz MQUJHLGNIHVCMU-YJJPMGAVSA-N 0 3 324.468 3.147 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H]1CCN1CCC1CC1)c1ccccc1 ZINC001269349968 1085328210 /nfs/dbraw/zinc/32/82/10/1085328210.db2.gz FDCVZKBVCYJOCB-PKOBYXMFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@@H]2CCc3c2cccc3F)CC1 ZINC001269383528 1085354167 /nfs/dbraw/zinc/35/41/67/1085354167.db2.gz KAFSTWOTYJZXSO-MRXNPFEDSA-N 0 3 302.393 3.018 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C(C)(C)C)CCCC1 ZINC001482222722 1085407569 /nfs/dbraw/zinc/40/75/69/1085407569.db2.gz JFCGROFZFOWAGY-CYBMUJFWSA-N 0 3 300.874 3.440 20 30 DGEDHN Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)C)cc1 ZINC001269589624 1085482271 /nfs/dbraw/zinc/48/22/71/1085482271.db2.gz LZEOFXQCZHDVJC-UXHICEINSA-N 0 3 324.468 3.220 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCC(C)C ZINC001269601787 1085488983 /nfs/dbraw/zinc/48/89/83/1085488983.db2.gz OIXSIZQKVBCJOY-KURKYZTESA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001269607240 1085496194 /nfs/dbraw/zinc/49/61/94/1085496194.db2.gz XSSACBDDKPDNPN-HWMZRRJGSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1ccc(C)cc1)C1CC1 ZINC001269622109 1085501606 /nfs/dbraw/zinc/50/16/06/1085501606.db2.gz BBESAFVPCPZAHS-GOSISDBHSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC001269689451 1085528489 /nfs/dbraw/zinc/52/84/89/1085528489.db2.gz JISJVSYYFGDXQP-AWEZNQCLSA-N 0 3 324.827 3.410 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](CC)CCCC)C2)CC1 ZINC001269700012 1085534246 /nfs/dbraw/zinc/53/42/46/1085534246.db2.gz MJYWCJIIIAKFLM-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)CC1 ZINC001269714269 1085540292 /nfs/dbraw/zinc/54/02/92/1085540292.db2.gz SIIRGMKENCWVNE-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001269755100 1085554893 /nfs/dbraw/zinc/55/48/93/1085554893.db2.gz JFZNWKRYDGKKLV-DOTOQJQBSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ocnc2C)C[C@H]1C ZINC001269938596 1085621850 /nfs/dbraw/zinc/62/18/50/1085621850.db2.gz VAQUCWZUEWXFQD-UKRRQHHQSA-N 0 3 319.449 3.054 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001270034812 1085662950 /nfs/dbraw/zinc/66/29/50/1085662950.db2.gz RSCVBRUPDBWVIE-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN CC/C(C)=C\C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001270042384 1085668538 /nfs/dbraw/zinc/66/85/38/1085668538.db2.gz JFYSJXJHOVPUAS-XXYUJHKVSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001270059579 1085675608 /nfs/dbraw/zinc/67/56/08/1085675608.db2.gz YAKAMGKGMKYTFM-GFCCVEGCSA-N 0 3 319.276 3.488 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CC3CCC2CC3)cc1 ZINC001270088835 1085684995 /nfs/dbraw/zinc/68/49/95/1085684995.db2.gz UCUAJFOHCSPDDA-GQOXECLESA-N 0 3 324.468 3.242 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001270104994 1085692502 /nfs/dbraw/zinc/69/25/02/1085692502.db2.gz HXNRXTTWIDRDQC-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccns1)C1CCCC1 ZINC001270404028 1085801549 /nfs/dbraw/zinc/80/15/49/1085801549.db2.gz REQVGFGBIUVKPK-MRXNPFEDSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001270477626 1085827368 /nfs/dbraw/zinc/82/73/68/1085827368.db2.gz CFRGXRGPHLIDSH-LBPRGKRZSA-N 0 3 310.388 3.019 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H](C)C(C)(C)C ZINC001482299738 1085879389 /nfs/dbraw/zinc/87/93/89/1085879389.db2.gz SWFUXMSFWKNVQJ-SJORKVTESA-N 0 3 314.473 3.157 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCCc2ccccc2)C1 ZINC001270623428 1085892976 /nfs/dbraw/zinc/89/29/76/1085892976.db2.gz GYNBFNBGGFWWMC-LJQANCHMSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001270844848 1086044577 /nfs/dbraw/zinc/04/45/77/1086044577.db2.gz IGSFVFOLUUBQKD-UHFFFAOYSA-N 0 3 304.478 3.479 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC001101306284 1086106264 /nfs/dbraw/zinc/10/62/64/1086106264.db2.gz JYMCMBDYWKZMSI-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001270976194 1086226510 /nfs/dbraw/zinc/22/65/10/1086226510.db2.gz MDTICCDBHZUGED-KRWDZBQOSA-N 0 3 314.473 3.157 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(OC)cc2C)C1 ZINC001270991237 1086236311 /nfs/dbraw/zinc/23/63/11/1086236311.db2.gz MEDAEYBNHAENML-LJQANCHMSA-N 0 3 316.445 3.022 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(Cl)c2F)C1 ZINC001270990774 1086237043 /nfs/dbraw/zinc/23/70/43/1086237043.db2.gz FTUXCQPGFNTNMX-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CCNCc1ocnc1C ZINC001482450957 1086262516 /nfs/dbraw/zinc/26/25/16/1086262516.db2.gz PRNFPYBVEZKFDL-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001271075349 1086275415 /nfs/dbraw/zinc/27/54/15/1086275415.db2.gz MJJADUUMNXPDJB-CABCVRRESA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cc(C)[nH]c1C ZINC001482456678 1086288076 /nfs/dbraw/zinc/28/80/76/1086288076.db2.gz PBQQFBSCJXWMGA-HNNXBMFYSA-N 0 3 323.868 3.358 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cc(C)[nH]c1C ZINC001482456681 1086288279 /nfs/dbraw/zinc/28/82/79/1086288279.db2.gz PBQQFBSCJXWMGA-OAHLLOKOSA-N 0 3 323.868 3.358 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3scnc32)[C@H]1CC ZINC001087569705 1086308139 /nfs/dbraw/zinc/30/81/39/1086308139.db2.gz JATRSZOKEVPPHU-UONOGXRCSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@H]1CC ZINC001087595926 1086320454 /nfs/dbraw/zinc/32/04/54/1086320454.db2.gz BAWHWLRBEZUQFS-DZGCQCFKSA-N 0 3 323.387 3.178 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)[C@H]1CC ZINC001087657951 1086344706 /nfs/dbraw/zinc/34/47/06/1086344706.db2.gz FCVXKWKHGULDLG-ZCNNSNEGSA-N 0 3 324.468 3.173 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C(C)C)[C@H]1CC ZINC001087675969 1086353595 /nfs/dbraw/zinc/35/35/95/1086353595.db2.gz NNRVJLOQGVWXIU-DLBZAZTESA-N 0 3 315.461 3.282 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1CC ZINC001087706845 1086369657 /nfs/dbraw/zinc/36/96/57/1086369657.db2.gz ODLHSZZIIXRQOP-LSDHHAIUSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)[C@H]1CC ZINC001087722939 1086380344 /nfs/dbraw/zinc/38/03/44/1086380344.db2.gz WQPWDAHNIOGHHA-DLBZAZTESA-N 0 3 318.436 3.258 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2C(F)F)[C@H]1CC ZINC001087812367 1086421766 /nfs/dbraw/zinc/42/17/66/1086421766.db2.gz JQEFPNVOIUODIY-NWDGAFQWSA-N 0 3 314.401 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3c(s2)CCC3)[C@H]1CC ZINC001087819189 1086426268 /nfs/dbraw/zinc/42/62/68/1086426268.db2.gz KBGJMNVWZBCMAW-LSDHHAIUSA-N 0 3 318.486 3.396 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H]1CC ZINC001087840794 1086438464 /nfs/dbraw/zinc/43/84/64/1086438464.db2.gz OIEQIRWBUGLGAC-DLBZAZTESA-N 0 3 324.424 3.347 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1CC ZINC001271445673 1086634399 /nfs/dbraw/zinc/63/43/99/1086634399.db2.gz HNNAYDUJWNSNTK-SJORKVTESA-N 0 3 300.446 3.228 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C)CCC(C)CC3)C[C@@H]2C1 ZINC001088216704 1086655901 /nfs/dbraw/zinc/65/59/01/1086655901.db2.gz VKCVCLORIJEOHH-NNVNDSJASA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001088216723 1086656048 /nfs/dbraw/zinc/65/60/48/1086656048.db2.gz WMKNNUJVEYNMSJ-FGTMMUONSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@@H]1CCNCC(=C)Cl ZINC001271514744 1086673746 /nfs/dbraw/zinc/67/37/46/1086673746.db2.gz ULDIEFFHETUFFH-MRXNPFEDSA-N 0 3 310.869 3.293 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cccc(C)n2)C1 ZINC001088264312 1086739484 /nfs/dbraw/zinc/73/94/84/1086739484.db2.gz ARJLASWZDSNLMI-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)/C=C/C(C)(C)C ZINC001271796629 1086769186 /nfs/dbraw/zinc/76/91/86/1086769186.db2.gz GCVCZEAFMDOKLP-OUKQBFOZSA-N 0 3 312.457 3.230 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C ZINC001271811937 1086778137 /nfs/dbraw/zinc/77/81/37/1086778137.db2.gz AXKGEDFEMWJSGX-MJGOQNOKSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(C(F)F)CC2)C1 ZINC001088313685 1086787131 /nfs/dbraw/zinc/78/71/31/1086787131.db2.gz DEDXNDDXNDUISP-GFCCVEGCSA-N 0 3 320.811 3.145 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ccccc1F ZINC001271840504 1086789338 /nfs/dbraw/zinc/78/93/38/1086789338.db2.gz ZMCDKCLHQGDRTD-QGZVFWFLSA-N 0 3 318.436 3.106 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1ccc(F)cn1)C(C)C ZINC001271908992 1086827738 /nfs/dbraw/zinc/82/77/38/1086827738.db2.gz VOQZHIFTCOZHFX-MRXNPFEDSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cocc2C)C1 ZINC001088362835 1086857842 /nfs/dbraw/zinc/85/78/42/1086857842.db2.gz AKPQPJKKEIOOEN-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001088366333 1086866858 /nfs/dbraw/zinc/86/68/58/1086866858.db2.gz IPGVZXKMUZNJPD-FXUDXRNXSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccn(C)c2C)C1 ZINC001088377453 1086884643 /nfs/dbraw/zinc/88/46/43/1086884643.db2.gz JNKZAGLMBVNMSF-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001088380657 1086892483 /nfs/dbraw/zinc/89/24/83/1086892483.db2.gz MTYOWCCIUAFFJE-HUUCEWRRSA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cccn2CC)C1 ZINC001088425983 1086928054 /nfs/dbraw/zinc/92/80/54/1086928054.db2.gz IPXOZVALWAFWFA-HNNXBMFYSA-N 0 3 323.868 3.235 20 30 DGEDHN C=C[C@H](C(=O)N1CCCCC[C@H](NCCF)C1)c1ccccc1 ZINC001088429221 1086930498 /nfs/dbraw/zinc/93/04/98/1086930498.db2.gz LXCODVDRUQVFEC-ROUUACIJSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@](CNCCF)(c2ccccc2)C1 ZINC001105435554 1086995035 /nfs/dbraw/zinc/99/50/35/1086995035.db2.gz SGWVDNYHHDAPGU-IZAXUBKRSA-N 0 3 318.436 3.118 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001482615142 1087079087 /nfs/dbraw/zinc/07/90/87/1087079087.db2.gz AODWNAWHPVBBHG-UHFFFAOYSA-N 0 3 300.446 3.073 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCO[C@H]1CCCC[C@@H]1C ZINC001272080386 1087083522 /nfs/dbraw/zinc/08/35/22/1087083522.db2.gz MJTZGRHFSOHCCM-IRXDYDNUSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2C)[C@H]1C ZINC001088585066 1087110686 /nfs/dbraw/zinc/11/06/86/1087110686.db2.gz BPQAURGFYGNCDV-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001272084923 1087111162 /nfs/dbraw/zinc/11/11/62/1087111162.db2.gz DOQWKPZWAJMNHW-FGTMMUONSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1ccncc1Cl ZINC001482837318 1087168264 /nfs/dbraw/zinc/16/82/64/1087168264.db2.gz XBLNPGFCMKHUSV-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C[C@H](NC/C=C\CNC(=O)C#CC1CC1)c1cccc(Cl)c1 ZINC001483007340 1087233263 /nfs/dbraw/zinc/23/32/63/1087233263.db2.gz JPIBTSZKDWWRRP-SFAKSCPVSA-N 0 3 316.832 3.076 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccccc1C(C)(C)CC ZINC001483025948 1087242267 /nfs/dbraw/zinc/24/22/67/1087242267.db2.gz WFFFFHXEUNLFAV-KHPPLWFESA-N 0 3 312.457 3.273 20 30 DGEDHN C#CCCCCCCCCC(=O)N1CCC2(CN(C)C2)CC1 ZINC001272219356 1087318124 /nfs/dbraw/zinc/31/81/24/1087318124.db2.gz MOOWDOASEULUTL-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2F)[C@H]1C ZINC001088764914 1087344547 /nfs/dbraw/zinc/34/45/47/1087344547.db2.gz COEBBTCUNWEDNF-OCCSQVGLSA-N 0 3 322.811 3.003 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(C)cc2Cl)[C@H]1C ZINC001088793885 1087357640 /nfs/dbraw/zinc/35/76/40/1087357640.db2.gz VSZLUTJVBDHVRF-PBHICJAKSA-N 0 3 318.848 3.173 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001483144843 1087403555 /nfs/dbraw/zinc/40/35/55/1087403555.db2.gz RIMYRCIUETYUPB-IAGOWNOFSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001483157174 1087407477 /nfs/dbraw/zinc/40/74/77/1087407477.db2.gz CNBULNMCXCUIPC-NEPJUHHUSA-N 0 3 310.388 3.332 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001483268070 1087454670 /nfs/dbraw/zinc/45/46/70/1087454670.db2.gz LKUHHOBXKFXYPC-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C1(Cc2ccccc2)CCC1 ZINC001483352475 1087477872 /nfs/dbraw/zinc/47/78/72/1087477872.db2.gz XOVPGDTYSOBZIN-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483368210 1087482768 /nfs/dbraw/zinc/48/27/68/1087482768.db2.gz ADJUMBAXUPTFHR-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CCC1(C)CC1 ZINC001483400638 1087491654 /nfs/dbraw/zinc/49/16/54/1087491654.db2.gz ADAIJBSCNFPDOE-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001483500770 1087516470 /nfs/dbraw/zinc/51/64/70/1087516470.db2.gz ACUWXMSMGXGRRL-GJZGRUSLSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)[C@H]1C ZINC001088879469 1087595178 /nfs/dbraw/zinc/59/51/78/1087595178.db2.gz ZQWSAJVRFSBXDX-WBMJQRKESA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)[C@H]1C ZINC001088881700 1087595769 /nfs/dbraw/zinc/59/57/69/1087595769.db2.gz BNEACMWAEPXQRN-WBMJQRKESA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088911611 1087603275 /nfs/dbraw/zinc/60/32/75/1087603275.db2.gz BELPHXNJWXGKIT-LBKNJMOBSA-N 0 3 312.457 3.335 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@H](C)CC)[C@H](OC)C1 ZINC001212191556 1087606485 /nfs/dbraw/zinc/60/64/85/1087606485.db2.gz KVNJCCKKXWQATF-BRWVUGGUSA-N 0 3 312.498 3.208 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001483659751 1087611067 /nfs/dbraw/zinc/61/10/67/1087611067.db2.gz UDSZLXKKGKONPK-LIXSYLKWSA-N 0 3 312.457 3.332 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)[C@H]1C ZINC001088984015 1087615360 /nfs/dbraw/zinc/61/53/60/1087615360.db2.gz BEINOMOOPJRVMF-WBVHZDCISA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)[C@H]1C ZINC001089013388 1087619716 /nfs/dbraw/zinc/61/97/16/1087619716.db2.gz QRRXQJMNMJAVQY-DQYPLSBCSA-N 0 3 318.848 3.135 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H]1C ZINC001089009928 1087621479 /nfs/dbraw/zinc/62/14/79/1087621479.db2.gz BZOLXZDPODVHDN-CABCVRRESA-N 0 3 306.475 3.063 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(CCC)c(C)s2)[C@H]1C ZINC001089027135 1087623940 /nfs/dbraw/zinc/62/39/40/1087623940.db2.gz ZENLYAVMHLPEIM-CJNGLKHVSA-N 0 3 318.486 3.225 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001483675105 1087629543 /nfs/dbraw/zinc/62/95/43/1087629543.db2.gz XLNILVLVAXCHJR-ZIAGYGMSSA-N 0 3 314.420 3.357 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@H]1C ZINC001089064618 1087629974 /nfs/dbraw/zinc/62/99/74/1087629974.db2.gz NBGXWFWUHNJYGY-PBHICJAKSA-N 0 3 311.429 3.245 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2oc3ccccc3c2CC)[C@H]1C ZINC001089069293 1087630550 /nfs/dbraw/zinc/63/05/50/1087630550.db2.gz WVUMUGPPNWXPDV-PBHICJAKSA-N 0 3 324.424 3.211 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)[C@H]1C ZINC001089071603 1087631000 /nfs/dbraw/zinc/63/10/00/1087631000.db2.gz MXPJZGYVQCTQOT-HJZRJOMTSA-N 0 3 312.457 3.335 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001483678413 1087635596 /nfs/dbraw/zinc/63/55/96/1087635596.db2.gz XXHCOEJQJQEPBY-MAUKXSAKSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(C(C)C)s2)[C@H]1C ZINC001089091999 1087635717 /nfs/dbraw/zinc/63/57/17/1087635717.db2.gz WKVHYAHZPXPBJC-OLZOCXBDSA-N 0 3 307.463 3.035 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CC)c(CC)c2)[C@H]1C ZINC001089094984 1087637607 /nfs/dbraw/zinc/63/76/07/1087637607.db2.gz ILLZMGHNRUTZEI-BEFAXECRSA-N 0 3 312.457 3.027 20 30 DGEDHN CC(C)C(=O)N1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001089121424 1087645456 /nfs/dbraw/zinc/64/54/56/1087645456.db2.gz CWDRGHUIBZWIGO-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001089139592 1087648577 /nfs/dbraw/zinc/64/85/77/1087648577.db2.gz GCVQJTHWNLQKGJ-BBRMVZONSA-N 0 3 319.474 3.029 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001483687392 1087653674 /nfs/dbraw/zinc/65/36/74/1087653674.db2.gz HBXVPWHGTCCEKJ-QAPCUYQASA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)C(C)(F)F)C2 ZINC001121798970 1087716099 /nfs/dbraw/zinc/71/60/99/1087716099.db2.gz VLQQSUFZRMHGHD-VQZBUAOQSA-N 0 3 320.811 3.047 20 30 DGEDHN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)CC(C)(C)C1 ZINC001089285444 1087734050 /nfs/dbraw/zinc/73/40/50/1087734050.db2.gz KTAPALKLHMOLNZ-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(F)(F)F ZINC001158434392 1087835762 /nfs/dbraw/zinc/83/57/62/1087835762.db2.gz JLLXMIGPXSDECR-QWHCGFSZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(C)ccc2F)C1 ZINC001272574626 1087848196 /nfs/dbraw/zinc/84/81/96/1087848196.db2.gz SIEUIXOXVOKOSZ-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN CN1CCC(N(c2ncc(C#N)cc2Cl)C2CCCC2)CC1 ZINC001158485788 1087858747 /nfs/dbraw/zinc/85/87/47/1087858747.db2.gz UWTANAYTQNXAPJ-UHFFFAOYSA-N 0 3 318.852 3.450 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1sccc1COC ZINC001158739204 1087999812 /nfs/dbraw/zinc/99/98/12/1087999812.db2.gz BWANDICKWOXCOP-OAHLLOKOSA-N 0 3 322.474 3.007 20 30 DGEDHN CCCCCCCCC(=O)N1CCCC[C@@H]1CN(C)CCO ZINC001158786672 1088030324 /nfs/dbraw/zinc/03/03/24/1088030324.db2.gz DTYBHGCGUDDDNM-QGZVFWFLSA-N 0 3 312.498 3.042 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(Cl)cc1 ZINC001153025424 1088145301 /nfs/dbraw/zinc/14/53/01/1088145301.db2.gz VZSKQMQXFPZUAD-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(F)F)cc1 ZINC001168493482 1088271895 /nfs/dbraw/zinc/27/18/95/1088271895.db2.gz GBTUEUSVTRIEAQ-UHFFFAOYSA-N 0 3 302.752 3.086 20 30 DGEDHN N#Cc1cc(Nc2cnc3cccc([O-])c3c2)cc(C2C[NH2+]C2)c1 ZINC001159314046 1088287044 /nfs/dbraw/zinc/28/70/44/1088287044.db2.gz NSDOQMWCKCZRNK-UHFFFAOYSA-N 0 3 316.364 3.242 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC2=CCCCC2)CC(C)(C)C1 ZINC001089341669 1088300470 /nfs/dbraw/zinc/30/04/70/1088300470.db2.gz NVWPESRFDQTRFR-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN CC(C)c1ccc(C(=O)C(C#N)c2ncc(Cl)n2C)cn1 ZINC001123234003 1088365176 /nfs/dbraw/zinc/36/51/76/1088365176.db2.gz QIVCIFUGZAXTKP-NSHDSACASA-N 0 3 302.765 3.082 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cc(F)ccc2C)CCCC1 ZINC001153817774 1088371481 /nfs/dbraw/zinc/37/14/81/1088371481.db2.gz RUNSOGDQSDBTJS-UHFFFAOYSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001153947935 1088417058 /nfs/dbraw/zinc/41/70/58/1088417058.db2.gz KCQAFLWLGWYIKT-MRXNPFEDSA-N 0 3 314.473 3.448 20 30 DGEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001272653358 1088456232 /nfs/dbraw/zinc/45/62/32/1088456232.db2.gz KTURWGWYPBEOBF-QGZVFWFLSA-N 0 3 316.420 3.120 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(CCCC)cc1 ZINC001154201313 1088509300 /nfs/dbraw/zinc/50/93/00/1088509300.db2.gz CTSANABTWKMVRO-QGZVFWFLSA-N 0 3 314.473 3.032 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2sccc2F)CC(C)(C)C1 ZINC001089377078 1088549962 /nfs/dbraw/zinc/54/99/62/1088549962.db2.gz JGTGHEBNIRUUCW-CYBMUJFWSA-N 0 3 322.449 3.131 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)CC(C)(C)C1 ZINC001089393003 1088561872 /nfs/dbraw/zinc/56/18/72/1088561872.db2.gz AXGWELMXVXGMLV-QZTJIDSGSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)CC(C)(C)C1 ZINC001089408601 1088580100 /nfs/dbraw/zinc/58/01/00/1088580100.db2.gz JJCGRTIJZFHZSE-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CC1(C)CC1 ZINC001154374108 1088585617 /nfs/dbraw/zinc/58/56/17/1088585617.db2.gz WBFYXLRHTIDLDQ-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)COCCCCCCCC ZINC001159981237 1088585712 /nfs/dbraw/zinc/58/57/12/1088585712.db2.gz CDRWWLPTGHDMIN-UHFFFAOYSA-N 0 3 318.889 3.212 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)CC(C)(C)C1 ZINC001089454531 1088631825 /nfs/dbraw/zinc/63/18/25/1088631825.db2.gz YEXKTPHTOIRHBS-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1C ZINC001272667548 1088632511 /nfs/dbraw/zinc/63/25/11/1088632511.db2.gz UJJXWURXDIVPOZ-QZTJIDSGSA-N 0 3 316.420 3.276 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089483078 1088679778 /nfs/dbraw/zinc/67/97/78/1088679778.db2.gz FYMDYMBECKINFA-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)CC(C)(C)C1 ZINC001089497651 1088692806 /nfs/dbraw/zinc/69/28/06/1088692806.db2.gz GBKHBKHXUHKVAD-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)CC(C)(C)C1 ZINC001089499711 1088695584 /nfs/dbraw/zinc/69/55/84/1088695584.db2.gz JORUWXOFNIUWCZ-MRXNPFEDSA-N 0 3 323.440 3.022 20 30 DGEDHN N#Cc1ccc(Oc2cccc(Nc3ccncc3CN)c2)cc1 ZINC001160251492 1088722289 /nfs/dbraw/zinc/72/22/89/1088722289.db2.gz VYKMCLVIXGFCIA-UHFFFAOYSA-N 0 3 316.364 3.370 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)CC(C)(C)C1 ZINC001089561731 1088745871 /nfs/dbraw/zinc/74/58/71/1088745871.db2.gz SNWGLIOCHVSTDT-XLIONFOSSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)CC(C)(C)C1 ZINC001089565822 1088752361 /nfs/dbraw/zinc/75/23/61/1088752361.db2.gz ZNIGVEQTWZPCDP-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2coc3ccccc23)CC(C)(C)C1 ZINC001089568007 1088755027 /nfs/dbraw/zinc/75/50/27/1088755027.db2.gz AHQMRBLDHDSYQS-OAHLLOKOSA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C1CCC1)C1CCC1 ZINC001154876818 1088804846 /nfs/dbraw/zinc/80/48/46/1088804846.db2.gz WDBIRSSSWCCDEV-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@H](CC)CCCC ZINC001154917874 1088827746 /nfs/dbraw/zinc/82/77/46/1088827746.db2.gz YWHLFTMAQHLRFA-CYBMUJFWSA-N 0 3 319.287 3.207 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001089620732 1088828868 /nfs/dbraw/zinc/82/88/68/1088828868.db2.gz DFHNJCGTJBHVON-CQSZACIVSA-N 0 3 319.449 3.034 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001089627167 1088848816 /nfs/dbraw/zinc/84/88/16/1088848816.db2.gz UXDDEKWWMCLQHT-AWEZNQCLSA-N 0 3 306.494 3.461 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(OC)c1 ZINC001154957327 1088853793 /nfs/dbraw/zinc/85/37/93/1088853793.db2.gz CQTJCYJOOWHJHY-MRXNPFEDSA-N 0 3 318.461 3.378 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1(CC)CC1 ZINC001155055899 1088921614 /nfs/dbraw/zinc/92/16/14/1088921614.db2.gz CCLJXRVPIWZLSZ-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001483832689 1088937267 /nfs/dbraw/zinc/93/72/67/1088937267.db2.gz MQBQJDPRLJOGGH-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCCCC(C)C)C2)C1 ZINC001483849471 1088950129 /nfs/dbraw/zinc/95/01/29/1088950129.db2.gz WKXPUPMEAJQMSF-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CCc2cccc(C)c2)CC1 ZINC001160798284 1088966681 /nfs/dbraw/zinc/96/66/81/1088966681.db2.gz DRJOILKRNLFEQE-UHFFFAOYSA-N 0 3 324.468 3.089 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001483941540 1089024527 /nfs/dbraw/zinc/02/45/27/1089024527.db2.gz YFYWXGLOKSCSJP-LLVKDONJSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1c(C)nsc1C ZINC001483943088 1089025165 /nfs/dbraw/zinc/02/51/65/1089025165.db2.gz SWDKYQMFKVWFLY-HNNXBMFYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nccc(-c2cccc(OC)c2)n1 ZINC001160953455 1089036926 /nfs/dbraw/zinc/03/69/26/1089036926.db2.gz BHULQNNWPNNPNU-INIZCTEOSA-N 0 3 324.428 3.215 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cc(-c2ccc(OC)cc2)ncn1 ZINC001160957247 1089040236 /nfs/dbraw/zinc/04/02/36/1089040236.db2.gz IVVXPAQRGQATFH-INIZCTEOSA-N 0 3 324.428 3.215 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CO[C@H]2CCCC[C@@H]2CC)CC1 ZINC001483967279 1089057550 /nfs/dbraw/zinc/05/75/50/1089057550.db2.gz LBNVXPQIDULYNV-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CCN(CC(=C)C)CC1 ZINC001483983890 1089068767 /nfs/dbraw/zinc/06/87/67/1089068767.db2.gz NUFQOQSSIQKXEI-QZTJIDSGSA-N 0 3 316.489 3.171 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@H](C)C1)C1CCN(CC=C(C)C)CC1 ZINC001483987844 1089071910 /nfs/dbraw/zinc/07/19/10/1089071910.db2.gz GMCZMTOYOPFWGJ-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccccn1)C1CCCC1 ZINC001483999968 1089078866 /nfs/dbraw/zinc/07/88/66/1089078866.db2.gz AJXNGCOTSSJVOH-GOSISDBHSA-N 0 3 315.461 3.203 20 30 DGEDHN CC1(C(=O)N[C@@H](CNCC#Cc2ccccc2)C2CCCC2)CC1 ZINC001484002980 1089089421 /nfs/dbraw/zinc/08/94/21/1089089421.db2.gz ZHHKNKLKMUSSFL-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccccc2CC)CC1 ZINC001161045671 1089089739 /nfs/dbraw/zinc/08/97/39/1089089739.db2.gz VQYMKNVLOIGIQR-UHFFFAOYSA-N 0 3 310.441 3.024 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1 ZINC001484016054 1089100152 /nfs/dbraw/zinc/10/01/52/1089100152.db2.gz QJPNSGAPDOQZCX-MOPGFXCFSA-N 0 3 323.440 3.090 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2cccc(Cl)c2)CC1 ZINC001161084907 1089109829 /nfs/dbraw/zinc/10/98/29/1089109829.db2.gz VFTGGWTVRXXJGC-UHFFFAOYSA-N 0 3 318.848 3.207 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cc3ccccc3o2)C1 ZINC001484054340 1089142545 /nfs/dbraw/zinc/14/25/45/1089142545.db2.gz OKUBBDWRJSCBSR-LJQANCHMSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2cccc(Cl)c2)C1 ZINC001484055786 1089144856 /nfs/dbraw/zinc/14/48/56/1089144856.db2.gz WXZXNIIDWGJALK-QGZVFWFLSA-N 0 3 306.837 3.039 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001155546989 1089155474 /nfs/dbraw/zinc/15/54/74/1089155474.db2.gz LNZJIYOCWGUHIQ-IEBWSBKVSA-N 0 3 314.473 3.105 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001484068905 1089164787 /nfs/dbraw/zinc/16/47/87/1089164787.db2.gz YKQBHOCVNPOTTB-FXAWDEMLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2ccccc2Cl)C1 ZINC001484069366 1089165149 /nfs/dbraw/zinc/16/51/49/1089165149.db2.gz IOPTZFRDRYKVQY-QGZVFWFLSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001089690881 1089179880 /nfs/dbraw/zinc/17/98/80/1089179880.db2.gz VNQNSTYEVRMLGK-SJLPKXTDSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001089691036 1089182644 /nfs/dbraw/zinc/18/26/44/1089182644.db2.gz IUQYSHAMSBOKBR-CYBMUJFWSA-N 0 3 323.868 3.465 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001155662671 1089202559 /nfs/dbraw/zinc/20/25/59/1089202559.db2.gz ZGXHWLXFXKHJHT-MJGOQNOKSA-N 0 3 314.473 3.024 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)Cc2cccs2)CC1 ZINC001161383367 1089221169 /nfs/dbraw/zinc/22/11/69/1089221169.db2.gz USXZYHLJFFKKDI-HNNXBMFYSA-N 0 3 318.486 3.251 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001089699477 1089233041 /nfs/dbraw/zinc/23/30/41/1089233041.db2.gz MSJWAMGVTJWGAF-BRWVUGGUSA-N 0 3 306.494 3.461 20 30 DGEDHN C#CCCCC(=O)NC[C@]1(C)CCCN(Cc2ccsc2)C1 ZINC001484155892 1089236620 /nfs/dbraw/zinc/23/66/20/1089236620.db2.gz FKSDDBNYVJBYAU-SFHVURJKSA-N 0 3 318.486 3.270 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001161480391 1089257426 /nfs/dbraw/zinc/25/74/26/1089257426.db2.gz FSUWRBPZJMYUPP-UHFFFAOYSA-N 0 3 323.799 3.077 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)ccc1C ZINC001155895404 1089294012 /nfs/dbraw/zinc/29/40/12/1089294012.db2.gz APMLBQKYCFNMPS-CQSZACIVSA-N 0 3 306.837 3.112 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001161622000 1089317704 /nfs/dbraw/zinc/31/77/04/1089317704.db2.gz HUINYXMYGJTSEJ-HKUYNNGSSA-N 0 3 304.478 3.383 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)C(C)(F)F)c1ccccc1CC ZINC001484322361 1089331935 /nfs/dbraw/zinc/33/19/35/1089331935.db2.gz DMBDGGHBRGOSEF-BBRMVZONSA-N 0 3 324.415 3.473 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)C)oc1C ZINC001156131625 1089402356 /nfs/dbraw/zinc/40/23/56/1089402356.db2.gz YCHYFAMUQIDINA-CQSZACIVSA-N 0 3 304.434 3.175 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](CC)C(C)C ZINC001484466450 1089436167 /nfs/dbraw/zinc/43/61/67/1089436167.db2.gz UBOQRBAKXUILQW-OKZBNKHCSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)Cc1ccccc1 ZINC001156240465 1089445925 /nfs/dbraw/zinc/44/59/25/1089445925.db2.gz CKXIZAHHDSCJNF-QGZVFWFLSA-N 0 3 314.473 3.105 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001484507645 1089447010 /nfs/dbraw/zinc/44/70/10/1089447010.db2.gz GCLZZQLKUIHONP-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc3cnccc32)CC1 ZINC001161875328 1089447461 /nfs/dbraw/zinc/44/74/61/1089447461.db2.gz YEAWYYRWUNPARO-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(CCCC)cc1 ZINC001161928803 1089477159 /nfs/dbraw/zinc/47/71/59/1089477159.db2.gz SGALTKYLNPKEKE-UHFFFAOYSA-N 0 3 322.880 3.420 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001156373875 1089494526 /nfs/dbraw/zinc/49/45/26/1089494526.db2.gz CNRBYCZROZHFSI-CYBMUJFWSA-N 0 3 306.837 3.030 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(F)c(F)c2)CCC1 ZINC001484626698 1089551208 /nfs/dbraw/zinc/55/12/08/1089551208.db2.gz QAUZFLUAAZQAIC-UHFFFAOYSA-N 0 3 308.372 3.060 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1coc2ccc(F)cc21 ZINC001156669238 1089632395 /nfs/dbraw/zinc/63/23/95/1089632395.db2.gz CIZYXRYKQFVRSC-CYBMUJFWSA-N 0 3 316.376 3.035 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc(Cl)s1 ZINC001156668614 1089633463 /nfs/dbraw/zinc/63/34/63/1089633463.db2.gz WMKSLRRSCDPAIG-UHFFFAOYSA-N 0 3 314.882 3.300 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001156672441 1089635293 /nfs/dbraw/zinc/63/52/93/1089635293.db2.gz OIGJUQMDMVTAGT-KRWDZBQOSA-N 0 3 302.462 3.140 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC001156672391 1089635796 /nfs/dbraw/zinc/63/57/96/1089635796.db2.gz MTFDXHMSZAMCNW-UHFFFAOYSA-N 0 3 313.445 3.365 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)c2cccnc12 ZINC001156680324 1089643133 /nfs/dbraw/zinc/64/31/33/1089643133.db2.gz WECKBTOZWZIUJU-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001484768535 1089677552 /nfs/dbraw/zinc/67/75/52/1089677552.db2.gz ALWPXCLMMBSOJT-INIZCTEOSA-N 0 3 318.436 3.123 20 30 DGEDHN CN(C)c1cccc(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001156760565 1089681225 /nfs/dbraw/zinc/68/12/25/1089681225.db2.gz NMXSVFLISYQRDX-UHFFFAOYSA-N 0 3 306.413 3.403 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1csc2c1CCCC2 ZINC001156781650 1089691549 /nfs/dbraw/zinc/69/15/49/1089691549.db2.gz LMPBSYQTHPLVCP-CQSZACIVSA-N 0 3 318.486 3.090 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C/C ZINC001484822374 1089705440 /nfs/dbraw/zinc/70/54/40/1089705440.db2.gz PKYBBOYMVGFZGS-WPBBSXQFSA-N 0 3 312.457 3.462 20 30 DGEDHN CCCCN1Cc2ccc(CNC(=O)C#CC(C)(C)C)cc2C1 ZINC001484872859 1089714692 /nfs/dbraw/zinc/71/46/92/1089714692.db2.gz FIEGAGXPJNLJLH-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001484889531 1089724633 /nfs/dbraw/zinc/72/46/33/1089724633.db2.gz NKANHAKYDQBIGW-NWDGAFQWSA-N 0 3 319.276 3.344 20 30 DGEDHN CC(C)(C)c1ccc(-c2noc([C@@]34C[C@@H]3CCN4)n2)c(C#N)c1 ZINC001212343072 1089736462 /nfs/dbraw/zinc/73/64/62/1089736462.db2.gz INFZLJYYONLGCO-SCLBCKFNSA-N 0 3 308.385 3.114 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001484941419 1089777223 /nfs/dbraw/zinc/77/72/23/1089777223.db2.gz HUPBUIHJFYMKRD-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2ccncc2Cl)C1 ZINC001484998437 1089820200 /nfs/dbraw/zinc/82/02/00/1089820200.db2.gz SOQBOHKTAXCHKE-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001485003708 1089840701 /nfs/dbraw/zinc/84/07/01/1089840701.db2.gz FUYMFEZEHDQHQP-IBGZPJMESA-N 0 3 324.468 3.328 20 30 DGEDHN CCCCCN1CCc2ccccc2[C@H]1CNC(=O)C#CC1CC1 ZINC001485005340 1089842653 /nfs/dbraw/zinc/84/26/53/1089842653.db2.gz YQVHEYPUHKFXGC-HXUWFJFHSA-N 0 3 324.468 3.306 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](CC)CCCC)CCO2 ZINC001485006411 1089844502 /nfs/dbraw/zinc/84/45/02/1089844502.db2.gz SBRRQXHXIPPIID-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)CCCC ZINC001485044289 1089861627 /nfs/dbraw/zinc/86/16/27/1089861627.db2.gz WQRDBYXIUCCOQH-KFKAGJAMSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccccc1C ZINC001485068445 1089903611 /nfs/dbraw/zinc/90/36/11/1089903611.db2.gz DHDUVQGEGHGTJB-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCCC(=O)N(CCNC/C=C\Cl)CCc1ccccc1 ZINC001162737629 1089912943 /nfs/dbraw/zinc/91/29/43/1089912943.db2.gz JYUYCPGQSSVGGS-GHXNOFRVSA-N 0 3 320.864 3.366 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC001485076571 1089930229 /nfs/dbraw/zinc/93/02/29/1089930229.db2.gz UNEPGDBQIHXQFB-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)CC(F)(F)F ZINC001485078955 1089932009 /nfs/dbraw/zinc/93/20/09/1089932009.db2.gz VEVJLBUQVLNJNU-QWHCGFSZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CC(F)(F)F ZINC001485078956 1089934376 /nfs/dbraw/zinc/93/43/76/1089934376.db2.gz VEVJLBUQVLNJNU-STQMWFEESA-N 0 3 306.372 3.074 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485144838 1089982262 /nfs/dbraw/zinc/98/22/62/1089982262.db2.gz GLDCRGSRJZFVQZ-DAIQMCTGSA-N 0 3 316.420 3.016 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485181078 1090007107 /nfs/dbraw/zinc/00/71/07/1090007107.db2.gz JGBHXXQUDVSHST-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001485180393 1090007979 /nfs/dbraw/zinc/00/79/79/1090007979.db2.gz CQBXJSDUUAJDMM-KGLIPLIRSA-N 0 3 319.474 3.349 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162892547 1090011782 /nfs/dbraw/zinc/01/17/82/1090011782.db2.gz OLUARLWNEHJQHO-DLBZAZTESA-N 0 3 320.452 3.075 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162897899 1090013623 /nfs/dbraw/zinc/01/36/23/1090013623.db2.gz OJXSMLOEOMFEIE-KRWDZBQOSA-N 0 3 320.452 3.219 20 30 DGEDHN C[C@H](CNC(=O)/C=C\C(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001485287453 1090080157 /nfs/dbraw/zinc/08/01/57/1090080157.db2.gz RDAQMLHUKGKRSJ-FJVVXJACSA-N 0 3 313.445 3.097 20 30 DGEDHN Cc1c(Cl)cnc(N[C@@H]2CNCc3ccsc32)c1C#N ZINC001163221404 1090120833 /nfs/dbraw/zinc/12/08/33/1090120833.db2.gz UCKWGRNUPSCLQA-GFCCVEGCSA-N 0 3 304.806 3.233 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)c(F)c1 ZINC001158195226 1090199408 /nfs/dbraw/zinc/19/94/08/1090199408.db2.gz UANCQHZXJZFLLM-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN N=C(Nc1nccc2c1CCN2)c1ccc(C(F)(F)F)cc1 ZINC001163679004 1090231701 /nfs/dbraw/zinc/23/17/01/1090231701.db2.gz YYXBLDWEBPJQMA-UHFFFAOYSA-N 0 3 306.291 3.105 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC3(C)CC3)C[C@H]2C1 ZINC001485658737 1090232219 /nfs/dbraw/zinc/23/22/19/1090232219.db2.gz UXMYJKLGKBKSID-SOUVJXGZSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001485703908 1090241492 /nfs/dbraw/zinc/24/14/92/1090241492.db2.gz NHZACZNODIWUEQ-KOMQPUFPSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)c(Cl)cc1C ZINC001163810154 1090263957 /nfs/dbraw/zinc/26/39/57/1090263957.db2.gz URMNINAURKOHKD-UHFFFAOYSA-N 0 3 315.244 3.419 20 30 DGEDHN CC(C)[C@H]1CN(c2cc(Br)ccc2C#N)CCN1C ZINC001163946892 1090294595 /nfs/dbraw/zinc/29/45/95/1090294595.db2.gz MOHCRSBZAVKDLW-OAHLLOKOSA-N 0 3 322.250 3.097 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1c(F)cccc1Cl ZINC001163948496 1090294820 /nfs/dbraw/zinc/29/48/20/1090294820.db2.gz KGYYBLYHUPFGQU-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C#CCCCCCC(=O)NCCCNCc1ccc(F)cc1F ZINC001163964030 1090300802 /nfs/dbraw/zinc/30/08/02/1090300802.db2.gz QOLRQJMUHNFENB-UHFFFAOYSA-N 0 3 322.399 3.144 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2c[nH]c3c2cccc3C)C1=O ZINC001272724945 1090333400 /nfs/dbraw/zinc/33/34/00/1090333400.db2.gz RTIQFFRNEOIJKF-FQEVSTJZSA-N 0 3 323.440 3.229 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001164221966 1090376930 /nfs/dbraw/zinc/37/69/30/1090376930.db2.gz HEBGDQAJKXZINT-CHWSQXEVSA-N 0 3 310.388 3.019 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001164391289 1090419510 /nfs/dbraw/zinc/41/95/10/1090419510.db2.gz BMJOMFWKSXEZFL-LJQANCHMSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(C)cs2)CC1 ZINC001164437491 1090422908 /nfs/dbraw/zinc/42/29/08/1090422908.db2.gz FFRIEVWLPFHQOH-UHFFFAOYSA-N 0 3 312.866 3.299 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cc(CC#N)ccn1 ZINC001165201073 1090479078 /nfs/dbraw/zinc/47/90/78/1090479078.db2.gz FWCMBZSBTHZRFV-DLBZAZTESA-N 0 3 320.440 3.247 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc3occc3[nH]2)CC1 ZINC001165250829 1090488657 /nfs/dbraw/zinc/48/86/57/1090488657.db2.gz KQBWUPXXADGSRH-UHFFFAOYSA-N 0 3 321.808 3.003 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107703784 1090489862 /nfs/dbraw/zinc/48/98/62/1090489862.db2.gz CZAJJSXEGHGKJG-VQIMIIECSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCCc1ccccc1 ZINC001165625413 1090534467 /nfs/dbraw/zinc/53/44/67/1090534467.db2.gz ZSLPNVXXVRGMNZ-UHFFFAOYSA-N 0 3 308.853 3.248 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2cccc(F)c2F)CCC1 ZINC001165997828 1090568226 /nfs/dbraw/zinc/56/82/26/1090568226.db2.gz GDZZLKXILHUCTN-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969527 1090590297 /nfs/dbraw/zinc/59/02/97/1090590297.db2.gz PBDOSTXYEOZSCA-VQIMIIECSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971051 1090594195 /nfs/dbraw/zinc/59/41/95/1090594195.db2.gz NFWCIMLJPTUDPM-VQIMIIECSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(F)F)c(F)c1 ZINC001166551904 1090618170 /nfs/dbraw/zinc/61/81/70/1090618170.db2.gz FLKYNQDZRAGYJH-UHFFFAOYSA-N 0 3 320.742 3.225 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCNCc1ccncc1Cl ZINC001272814063 1090630921 /nfs/dbraw/zinc/63/09/21/1090630921.db2.gz MTMJNBVBGDEGQD-ZDUSSCGKSA-N 0 3 309.841 3.076 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001128084733 1090645181 /nfs/dbraw/zinc/64/51/81/1090645181.db2.gz BCIRGCQJSLCXSA-UHFFFAOYSA-N 0 3 312.866 3.376 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)C1=O ZINC001272915946 1090679150 /nfs/dbraw/zinc/67/91/50/1090679150.db2.gz XDKUTAQIUDNGGX-UHFFFAOYSA-N 0 3 318.848 3.341 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCC1(CNCc2ccns2)CC1 ZINC001167018182 1090695853 /nfs/dbraw/zinc/69/58/53/1090695853.db2.gz DPJLXJHWUCCRRB-INIZCTEOSA-N 0 3 321.490 3.122 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485868389 1090713157 /nfs/dbraw/zinc/71/31/57/1090713157.db2.gz KXIAIHOWTJIQJE-CVEARBPZSA-N 0 3 318.436 3.050 20 30 DGEDHN CCCCCCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001485952128 1090732927 /nfs/dbraw/zinc/73/29/27/1090732927.db2.gz UVGWTNRQNBWAPE-SFHVURJKSA-N 0 3 314.473 3.445 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccccc1OC)C2 ZINC001203432660 1090734165 /nfs/dbraw/zinc/73/41/65/1090734165.db2.gz YVIFBKFYCDESOF-IEBWSBKVSA-N 0 3 317.429 3.021 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3c2CCCCC3)C1 ZINC001486115907 1090753541 /nfs/dbraw/zinc/75/35/41/1090753541.db2.gz ULZCWQZQKKYQKZ-AEFFLSMTSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)OC3CCCC3)CCC[C@H]12 ZINC001486147842 1090764513 /nfs/dbraw/zinc/76/45/13/1090764513.db2.gz QTFYZXPURYUYNV-ZIFCJYIRSA-N 0 3 320.477 3.023 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@@H]12 ZINC001486153862 1090767351 /nfs/dbraw/zinc/76/73/51/1090767351.db2.gz JEJSLBXMHHZLQQ-POAQFYNOSA-N 0 3 312.457 3.164 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccccc2C)[C@H]1C ZINC001486182296 1090779717 /nfs/dbraw/zinc/77/97/17/1090779717.db2.gz VORYKWDPZOCYOE-IEBWSBKVSA-N 0 3 314.473 3.473 20 30 DGEDHN O=C1C=C2CN(Cc3ccccc3C(F)(F)F)CCC2S1 ZINC001203687836 1090780802 /nfs/dbraw/zinc/78/08/02/1090780802.db2.gz ZNBGTRUFRAFMQK-ZDUSSCGKSA-N 0 3 313.344 3.480 20 30 DGEDHN CC(C)N(CCN(C)Cc1ccccc1)C(=O)C#CC(C)(C)C ZINC001486368243 1090809328 /nfs/dbraw/zinc/80/93/28/1090809328.db2.gz LIKKDCMZLQRSAL-UHFFFAOYSA-N 0 3 314.473 3.405 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccncc1Cl)C(C)C ZINC001486375486 1090813714 /nfs/dbraw/zinc/81/37/14/1090813714.db2.gz AMNFXFFQPRBKDJ-UHFFFAOYSA-N 0 3 309.841 3.094 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CCCC[C@@H]1O ZINC001203870653 1090824601 /nfs/dbraw/zinc/82/46/01/1090824601.db2.gz BKCJEIXVZHXNNK-YOEHRIQHSA-N 0 3 321.848 3.383 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001486449701 1090839015 /nfs/dbraw/zinc/83/90/15/1090839015.db2.gz MSVNTVNAJUTMRI-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C(C)=C/CC)CC[C@H]1C(F)(F)F ZINC001486451326 1090840360 /nfs/dbraw/zinc/84/03/60/1090840360.db2.gz MQGTZWDNUXLJHA-BARLUBHISA-N 0 3 318.383 3.288 20 30 DGEDHN CCN(CC)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001203939970 1090844453 /nfs/dbraw/zinc/84/44/53/1090844453.db2.gz HAQCJAJLZLPLAA-QGZVFWFLSA-N 0 3 316.470 3.307 20 30 DGEDHN CCN(CC)c1ccc(CN2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001203939970 1090844461 /nfs/dbraw/zinc/84/44/61/1090844461.db2.gz HAQCJAJLZLPLAA-QGZVFWFLSA-N 0 3 316.470 3.307 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001486473811 1090848589 /nfs/dbraw/zinc/84/85/89/1090848589.db2.gz FHVYLGFRBXSTQF-PNESKVBLSA-N 0 3 319.276 3.487 20 30 DGEDHN C=CCOc1ccc(CN2CCC3(C[C@H](F)CO3)CC2)cc1 ZINC001204303116 1090944386 /nfs/dbraw/zinc/94/43/86/1090944386.db2.gz ABMAIGHFEPEEFR-INIZCTEOSA-N 0 3 305.393 3.344 20 30 DGEDHN COc1cc2c(cc1OC)[C@@H](CN(C)Cc1ccccc1C#N)C2 ZINC001204372331 1090958989 /nfs/dbraw/zinc/95/89/89/1090958989.db2.gz BESXVBOVIDIUOE-QGZVFWFLSA-N 0 3 322.408 3.347 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccccc3CC#N)c2)CC1 ZINC001204563754 1090999981 /nfs/dbraw/zinc/99/99/81/1090999981.db2.gz FHULKYFIYJGOLK-UHFFFAOYSA-N 0 3 320.440 3.244 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2CCc1ccccc1F ZINC001273037500 1091011986 /nfs/dbraw/zinc/01/19/86/1091011986.db2.gz ZSDAKOXLPZKVCW-LJQANCHMSA-N 0 3 316.420 3.011 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1ccncc1Cl ZINC001273043666 1091014849 /nfs/dbraw/zinc/01/48/49/1091014849.db2.gz GEHDZPCVZBDNPL-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1csc(C(C)C)n1 ZINC001273076927 1091027318 /nfs/dbraw/zinc/02/73/18/1091027318.db2.gz ZNMSXWYYUCUPGV-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN C=CCCC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001204753022 1091030754 /nfs/dbraw/zinc/03/07/54/1091030754.db2.gz FABXORFKNOOODL-UKTHLTGXSA-N 0 3 305.249 3.100 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(F)c(F)c2)CCC1 ZINC001273090283 1091032917 /nfs/dbraw/zinc/03/29/17/1091032917.db2.gz BGTRTIQBBQWOBR-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN CC[C@@H]1CCC[C@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC001205033064 1091087948 /nfs/dbraw/zinc/08/79/48/1091087948.db2.gz PSPAKCLNDQBWFV-SJORKVTESA-N 0 3 312.461 3.292 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108115624 1091094901 /nfs/dbraw/zinc/09/49/01/1091094901.db2.gz RXKXRHWDMCMAAU-VQIMIIECSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108114856 1091095048 /nfs/dbraw/zinc/09/50/48/1091095048.db2.gz IGWQXLCDLOFOLR-LJQANCHMSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001292261074 1091141412 /nfs/dbraw/zinc/14/14/12/1091141412.db2.gz JCJGDZRENVKENS-SFHVURJKSA-N 0 3 300.446 3.460 20 30 DGEDHN C#CCOc1ccc(CN2CCC(OCCC)CC2)cc1OC ZINC001138345858 1091148553 /nfs/dbraw/zinc/14/85/53/1091148553.db2.gz QVJUZJIJNSTSEC-UHFFFAOYSA-N 0 3 317.429 3.098 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108147277 1091149502 /nfs/dbraw/zinc/14/95/02/1091149502.db2.gz ZZPZLBBFELBKGR-VQIMIIECSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108173138 1091283993 /nfs/dbraw/zinc/28/39/93/1091283993.db2.gz LHXRYYFMSCUCFY-LPHOPBHVSA-N 0 3 324.509 3.375 20 30 DGEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1ccnc(C#N)c1 ZINC001307169851 1091344698 /nfs/dbraw/zinc/34/46/98/1091344698.db2.gz QVDNGIOUQHHUCM-HXUWFJFHSA-N 0 3 320.440 3.300 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/c1ccco1 ZINC001098867051 1091395905 /nfs/dbraw/zinc/39/59/05/1091395905.db2.gz CBECIKQXLJCAOH-MVGZEHJDSA-N 0 3 302.418 3.086 20 30 DGEDHN C=CCOc1ccccc1CN1CCc2ncnc(CC)c2CC1 ZINC001139028568 1091422920 /nfs/dbraw/zinc/42/29/20/1091422920.db2.gz XQLHZKSFRDKGFX-UHFFFAOYSA-N 0 3 323.440 3.205 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@](C)(C(=O)OCC)C1 ZINC001139030304 1091424473 /nfs/dbraw/zinc/42/44/73/1091424473.db2.gz IXQUIBABDBLYOH-IBGZPJMESA-N 0 3 317.429 3.417 20 30 DGEDHN C=CCOc1ccccc1CN1CCC(N2CC(F)(F)C2)CC1 ZINC001139029762 1091425239 /nfs/dbraw/zinc/42/52/39/1091425239.db2.gz LXBDHMNRNGIMEA-UHFFFAOYSA-N 0 3 322.399 3.167 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001098896896 1091434784 /nfs/dbraw/zinc/43/47/84/1091434784.db2.gz NNGVYKIDCFTIBC-HBFSDRIKSA-N 0 3 314.473 3.117 20 30 DGEDHN C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001206040710 1091465530 /nfs/dbraw/zinc/46/55/30/1091465530.db2.gz PXIXPQZBMMRBAR-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001206040710 1091465534 /nfs/dbraw/zinc/46/55/34/1091465534.db2.gz PXIXPQZBMMRBAR-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001206094671 1091488983 /nfs/dbraw/zinc/48/89/83/1091488983.db2.gz UCEJDODSVUGUHM-UHFFFAOYSA-N 0 3 309.291 3.263 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)c(F)cc2OC)no1 ZINC001206094680 1091489509 /nfs/dbraw/zinc/48/95/09/1091489509.db2.gz UKFLGHQQHUARDD-UHFFFAOYSA-N 0 3 321.327 3.132 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)c(OC)c2F)no1 ZINC001206094811 1091491274 /nfs/dbraw/zinc/49/12/74/1091491274.db2.gz WJANXWPVBYJEHN-UHFFFAOYSA-N 0 3 321.327 3.132 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC001084500095 1091496287 /nfs/dbraw/zinc/49/62/87/1091496287.db2.gz AVMCWPHYBVMONH-MLGOLLRUSA-N 0 3 322.811 3.202 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCC3CCCCCC3)[C@@H]2C1 ZINC001084526303 1091500868 /nfs/dbraw/zinc/50/08/68/1091500868.db2.gz ULIJIAGLLYFIRV-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001084553348 1091505350 /nfs/dbraw/zinc/50/53/50/1091505350.db2.gz GRBGHUHLJAQGRA-RTBURBONSA-N 0 3 312.457 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001084575060 1091511537 /nfs/dbraw/zinc/51/15/37/1091511537.db2.gz ZIJANRAHJMATLK-KBAYOESNSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC001084703198 1091543531 /nfs/dbraw/zinc/54/35/31/1091543531.db2.gz NKEJRYQRWGZWDB-DGCLKSJQSA-N 0 3 310.850 3.124 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)C3CCCCC3)[C@@H]2C1 ZINC001084717217 1091546650 /nfs/dbraw/zinc/54/66/50/1091546650.db2.gz OMKQWXSKXLDDEN-QXAKKESOSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3coc4ccccc34)[C@@H]2C1 ZINC001084739981 1091550976 /nfs/dbraw/zinc/55/09/76/1091550976.db2.gz LHNWWHHSURMAHJ-CRAIPNDOSA-N 0 3 324.424 3.084 20 30 DGEDHN O=C1C=C2CN(Cc3c(Cl)ccnc3Cl)CCC2S1 ZINC001139475868 1091570858 /nfs/dbraw/zinc/57/08/58/1091570858.db2.gz CEUFSPLWSJTNAN-NSHDSACASA-N 0 3 315.225 3.163 20 30 DGEDHN C=CCN(C)Cc1ccc(F)c(I)c1 ZINC001139512242 1091580674 /nfs/dbraw/zinc/58/06/74/1091580674.db2.gz UPBVXASWAWWXGR-UHFFFAOYSA-N 0 3 305.134 3.048 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842287 1091587251 /nfs/dbraw/zinc/58/72/51/1091587251.db2.gz JAQSAVFIJWLXEH-YXJHDRRASA-N 0 3 316.420 3.038 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc1F ZINC001139531848 1091590238 /nfs/dbraw/zinc/59/02/38/1091590238.db2.gz XLAUDLRHLQTIHU-ROUUACIJSA-N 0 3 319.399 3.096 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC(C(C)(C)C)C3)[C@@H]2C1 ZINC001084862249 1091597857 /nfs/dbraw/zinc/59/78/57/1091597857.db2.gz AWGFGCNJDIPJQV-RDHHWEPZSA-N 0 3 304.478 3.168 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C[C@@H]21 ZINC001084947377 1091621104 /nfs/dbraw/zinc/62/11/04/1091621104.db2.gz RHGGSZHCWRUFPE-QRVBRYPASA-N 0 3 314.473 3.069 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001202960443 1091643233 /nfs/dbraw/zinc/64/32/33/1091643233.db2.gz NNZYOSSUURWWES-KGLIPLIRSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)C[C@@H]21 ZINC001085041281 1091647288 /nfs/dbraw/zinc/64/72/88/1091647288.db2.gz ADVBYKVEOPOMKR-GFEQUFNTSA-N 0 3 316.489 3.312 20 30 DGEDHN Cc1cc(O)cc(C)c1CN1CCN(c2cccc(C#N)c2)CC1 ZINC001139715313 1091651609 /nfs/dbraw/zinc/65/16/09/1091651609.db2.gz GQIHXFIDQLIMAA-UHFFFAOYSA-N 0 3 321.424 3.203 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001098943828 1091656245 /nfs/dbraw/zinc/65/62/45/1091656245.db2.gz CIXLOECATPEKMG-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN CCCCOC(=O)[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139727277 1091656181 /nfs/dbraw/zinc/65/61/81/1091656181.db2.gz LYKIKAFTZMHBRY-INIZCTEOSA-N 0 3 300.402 3.032 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@]3(C)CC=C(C)CC3)C[C@@H]21 ZINC001085098604 1091669485 /nfs/dbraw/zinc/66/94/85/1091669485.db2.gz BLEWJYKNNHZYIZ-HBFSDRIKSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)C[C@@H]21 ZINC001085103887 1091671373 /nfs/dbraw/zinc/67/13/73/1091671373.db2.gz SMSKAIRBSUZVHK-IKGGRYGDSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3c(C)cccc3C)CC2)C1=O ZINC001273265074 1091675683 /nfs/dbraw/zinc/67/56/83/1091675683.db2.gz AUBJJDWEHKEQRO-UHFFFAOYSA-N 0 3 312.457 3.304 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)coc1C ZINC001085188708 1091699972 /nfs/dbraw/zinc/69/99/72/1091699972.db2.gz QNVRPUHCGIQQTH-ZIAGYGMSSA-N 0 3 310.825 3.280 20 30 DGEDHN N#Cc1cc(F)cc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC001139879136 1091700381 /nfs/dbraw/zinc/70/03/81/1091700381.db2.gz FPROFJXDLFODIK-ROUUACIJSA-N 0 3 321.399 3.266 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001161205317 1091724405 /nfs/dbraw/zinc/72/44/05/1091724405.db2.gz DJIIJNRFBCPGMJ-AWEZNQCLSA-N 0 3 304.459 3.176 20 30 DGEDHN Cc1ncc(CN2CCC(Cc3ccc(C#N)cc3)CC2)n1C ZINC001206794863 1091743792 /nfs/dbraw/zinc/74/37/92/1091743792.db2.gz ZRCUIZZGBJDPAN-UHFFFAOYSA-N 0 3 308.429 3.055 20 30 DGEDHN CC(C)c1nc(CCN(C)Cc2c[nH]c3ccc(C#N)cc23)no1 ZINC001140110930 1091771463 /nfs/dbraw/zinc/77/14/63/1091771463.db2.gz VEWFGCSWIGIANL-UHFFFAOYSA-N 0 3 323.400 3.220 20 30 DGEDHN C=CCCCCN(C)Cc1cnc2cnc(Br)cn12 ZINC001140244006 1091807103 /nfs/dbraw/zinc/80/71/03/1091807103.db2.gz TXYKENBDBJCAAI-UHFFFAOYSA-N 0 3 323.238 3.280 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)Cc2cccc(F)c2)C1 ZINC001206973595 1091811188 /nfs/dbraw/zinc/81/11/88/1091811188.db2.gz OUXKPRZHORWCOY-HDMKZQKVSA-N 0 3 318.436 3.017 20 30 DGEDHN Cn1cc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1C#N ZINC001207110202 1091847570 /nfs/dbraw/zinc/84/75/70/1091847570.db2.gz GXYQDCRZFUQCDG-UHFFFAOYSA-N 0 3 304.397 3.148 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)ccc1NCC ZINC001297372744 1091871513 /nfs/dbraw/zinc/87/15/13/1091871513.db2.gz CFSGTDBMVTUGES-UHFFFAOYSA-N 0 3 303.450 3.007 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1scnc1C(C)(C)C ZINC001297380006 1091872594 /nfs/dbraw/zinc/87/25/94/1091872594.db2.gz STOSBPPWQIDACZ-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1cc(Cl)cs1 ZINC001297378594 1091872740 /nfs/dbraw/zinc/87/27/40/1091872740.db2.gz IVMDNCOONITFTH-UHFFFAOYSA-N 0 3 314.882 3.300 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001207180229 1091876626 /nfs/dbraw/zinc/87/66/26/1091876626.db2.gz WROHNNRBCLBZIB-SJLPKXTDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCOc1ccc(C(=O)N(C)C[C@H]2CCN2CCCC)cc1 ZINC001085678398 1091878900 /nfs/dbraw/zinc/87/89/00/1091878900.db2.gz IRYWBDWNONAPBY-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CCN1CCCC ZINC001085678591 1091880498 /nfs/dbraw/zinc/88/04/98/1091880498.db2.gz NMBCDXOQEJURHA-INIZCTEOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(-n2cccc2)cc1 ZINC001085704028 1091889068 /nfs/dbraw/zinc/88/90/68/1091889068.db2.gz FTJYAVVGWYSSMP-IBGZPJMESA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C(F)F ZINC001085712645 1091896895 /nfs/dbraw/zinc/89/68/95/1091896895.db2.gz PJWHQVIEIJHHNL-CYBMUJFWSA-N 0 3 323.387 3.132 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2ccccc2c1C ZINC001085730251 1091902792 /nfs/dbraw/zinc/90/27/92/1091902792.db2.gz SSYGDONXPTWQEA-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2ncccc2c1 ZINC001085796836 1091942677 /nfs/dbraw/zinc/94/26/77/1091942677.db2.gz AUSCCFKUUUWNTJ-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844356 1091971449 /nfs/dbraw/zinc/97/14/49/1091971449.db2.gz LHHUDCOQMMXZBY-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085844351 1091971628 /nfs/dbraw/zinc/97/16/28/1091971628.db2.gz LBQXHTRYUPPUGE-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN CCCCCN1CCN(Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754223 1091986714 /nfs/dbraw/zinc/98/67/14/1091986714.db2.gz RBVGPVYCRZVULE-UHFFFAOYSA-N 0 3 307.388 3.144 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085859930 1091987355 /nfs/dbraw/zinc/98/73/55/1091987355.db2.gz MCFCPCZDXXAQFG-OTWHNJEPSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001085868355 1091991849 /nfs/dbraw/zinc/99/18/49/1091991849.db2.gz NMBJQOXZDADDGR-YTQUADARSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CN(Cc3cccc(C)c3)C[C@H]2C)CCC1 ZINC001207510779 1092000709 /nfs/dbraw/zinc/00/07/09/1092000709.db2.gz VJLILKDPZOMPIS-IEBWSBKVSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001085911537 1092007999 /nfs/dbraw/zinc/00/79/99/1092007999.db2.gz HQBCKVAZTSGQAT-IBGZPJMESA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085940044 1092028591 /nfs/dbraw/zinc/02/85/91/1092028591.db2.gz XNSYIWLWKJKWAN-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001085941733 1092031545 /nfs/dbraw/zinc/03/15/45/1092031545.db2.gz OQFUFOZWQLIPIB-ZCYBBYNQSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085956473 1092050075 /nfs/dbraw/zinc/05/00/75/1092050075.db2.gz CZAFRSYSUZMWFD-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983316 1092070319 /nfs/dbraw/zinc/07/03/19/1092070319.db2.gz DBHITLQVWNJKQF-TVRKMHQQSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989489 1092074139 /nfs/dbraw/zinc/07/41/39/1092074139.db2.gz SBUVPMSLMCZZCK-OPQOLIRYSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001085992775 1092080217 /nfs/dbraw/zinc/08/02/17/1092080217.db2.gz UBWYKINFXHLSFV-MRXNPFEDSA-N 0 3 312.457 3.206 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001085998763 1092087109 /nfs/dbraw/zinc/08/71/09/1092087109.db2.gz MYRRWEKUADFVPW-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001086001696 1092090086 /nfs/dbraw/zinc/09/00/86/1092090086.db2.gz ODXYZWMCOSRFLA-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC001298887864 1092122051 /nfs/dbraw/zinc/12/20/51/1092122051.db2.gz NLGGWUKYZCNGSX-JXFKEZNVSA-N 0 3 318.420 3.061 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001086097812 1092132417 /nfs/dbraw/zinc/13/24/17/1092132417.db2.gz YFGXJDOGCFOZAK-BETUJISGSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001086105844 1092132577 /nfs/dbraw/zinc/13/25/77/1092132577.db2.gz FUJXRURIXFVOCJ-XBXGTLAGSA-N 0 3 322.836 3.009 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001086140609 1092140972 /nfs/dbraw/zinc/14/09/72/1092140972.db2.gz UPHGUSNKYRPCRW-BETUJISGSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCC(C)(F)F)C12CCC2 ZINC001203095864 1092142867 /nfs/dbraw/zinc/14/28/67/1092142867.db2.gz VBFOIWLCPAFBGY-NEPJUHHUSA-N 0 3 320.811 3.191 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207915721 1092143125 /nfs/dbraw/zinc/14/31/25/1092143125.db2.gz YXGJFHOXNNQCRH-IEBWSBKVSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001086185080 1092153616 /nfs/dbraw/zinc/15/36/16/1092153616.db2.gz IZJGWRDGUKGPJY-JNSHFYNHSA-N 0 3 317.820 3.018 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001207992482 1092169759 /nfs/dbraw/zinc/16/97/59/1092169759.db2.gz LXFDRHNAVBZYKQ-HZPDHXFCSA-N 0 3 316.420 3.127 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001207992483 1092170522 /nfs/dbraw/zinc/17/05/22/1092170522.db2.gz LXFDRHNAVBZYKQ-JKSUJKDBSA-N 0 3 316.420 3.127 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001491584175 1092183144 /nfs/dbraw/zinc/18/31/44/1092183144.db2.gz CYASKDLUARNLTC-BHIYHBOVSA-N 0 3 312.457 3.078 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1cc(F)cc(F)c1 ZINC001491592333 1092185810 /nfs/dbraw/zinc/18/58/10/1092185810.db2.gz JWZOXHDBHRHPLZ-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001086280233 1092191388 /nfs/dbraw/zinc/19/13/88/1092191388.db2.gz QWDHGWOYBCKYTH-LMRQPLJMSA-N 0 3 312.885 3.296 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001491632480 1092192748 /nfs/dbraw/zinc/19/27/48/1092192748.db2.gz KUWGYQWDFVJGDO-KGLIPLIRSA-N 0 3 321.490 3.286 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001491632481 1092193160 /nfs/dbraw/zinc/19/31/60/1092193160.db2.gz KUWGYQWDFVJGDO-UONOGXRCSA-N 0 3 321.490 3.286 20 30 DGEDHN CCN1CCN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141287698 1092199586 /nfs/dbraw/zinc/19/95/86/1092199586.db2.gz LQRKQHBEHIOXLP-UHFFFAOYSA-N 0 3 321.424 3.488 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cccnc2C)CCCC1 ZINC001491696748 1092201025 /nfs/dbraw/zinc/20/10/25/1092201025.db2.gz GMVRYLOMYHVJNP-HNNXBMFYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001086436302 1092250327 /nfs/dbraw/zinc/25/03/27/1092250327.db2.gz CREXZONLEMJFET-UCZXGBCZSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)C1 ZINC001086438016 1092253172 /nfs/dbraw/zinc/25/31/72/1092253172.db2.gz ZFJHTFWURDBWOI-DZUCGIPZSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001208197862 1092258424 /nfs/dbraw/zinc/25/84/24/1092258424.db2.gz NFWSYNBTOBBZMN-MOPGFXCFSA-N 0 3 319.420 3.194 20 30 DGEDHN COC(C)(C)CCC[C@@H](C)CCN1CCN(CCC#N)CC1 ZINC001208205638 1092266454 /nfs/dbraw/zinc/26/64/54/1092266454.db2.gz KESUFNOZWBBSOQ-QGZVFWFLSA-N 0 3 309.498 3.139 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC001491874035 1092267252 /nfs/dbraw/zinc/26/72/52/1092267252.db2.gz LESJLXZGHNMRNG-LSDHHAIUSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001273437461 1092295003 /nfs/dbraw/zinc/29/50/03/1092295003.db2.gz ONXFXHBHENXDKI-JKSUJKDBSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](N(C)Cc2cccc(OC)c2)C1 ZINC001491915398 1092295530 /nfs/dbraw/zinc/29/55/30/1092295530.db2.gz BRZRECVQWCPZKD-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1C ZINC001208309809 1092307668 /nfs/dbraw/zinc/30/76/68/1092307668.db2.gz XUVNTKPIHOPPCM-NVXWUHKLSA-N 0 3 300.446 3.144 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001208393746 1092341557 /nfs/dbraw/zinc/34/15/57/1092341557.db2.gz XVPNDAPOLAPKDQ-SOLBZPMBSA-N 0 3 300.446 3.225 20 30 DGEDHN CCN(Cc1ccc(C#N)c(SC)n1)Cc1ccccc1O ZINC001141943996 1092366358 /nfs/dbraw/zinc/36/63/58/1092366358.db2.gz SLAFTWZSXFTGAN-UHFFFAOYSA-N 0 3 313.426 3.403 20 30 DGEDHN CN1CCCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141972558 1092371451 /nfs/dbraw/zinc/37/14/51/1092371451.db2.gz LSZNOKJTBGXAFC-UHFFFAOYSA-N 0 3 310.466 3.285 20 30 DGEDHN OCC1CCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141972124 1092371493 /nfs/dbraw/zinc/37/14/93/1092371493.db2.gz CNVVSIMKQJNILY-UHFFFAOYSA-N 0 3 311.450 3.352 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#Cc3ccccc3)s2)CC[C@@H]1O ZINC001141973064 1092371863 /nfs/dbraw/zinc/37/18/63/1092371863.db2.gz XBCCZDUSIWQDMR-BEFAXECRSA-N 0 3 311.450 3.351 20 30 DGEDHN C[C@H]1C[C@@H](NCc2csc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168835549 1092387855 /nfs/dbraw/zinc/38/78/55/1092387855.db2.gz SOKGNCTVLDWLHG-WCQYABFASA-N 0 3 321.446 3.107 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1cccs1 ZINC001492083310 1092398768 /nfs/dbraw/zinc/39/87/68/1092398768.db2.gz JYEOGNDDKSBGPV-VXGBXAGGSA-N 0 3 300.855 3.089 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1c(C)ccn1C ZINC001492147969 1092407508 /nfs/dbraw/zinc/40/75/08/1092407508.db2.gz CVUTZLFZYSORMZ-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001208638813 1092438274 /nfs/dbraw/zinc/43/82/74/1092438274.db2.gz JXINNZHWCJTSTF-KRWDZBQOSA-N 0 3 300.402 3.066 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccc(C2CCC2)cc1 ZINC001492245380 1092458075 /nfs/dbraw/zinc/45/80/75/1092458075.db2.gz WITINWYSFBMAOC-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001276584574 1092481938 /nfs/dbraw/zinc/48/19/38/1092481938.db2.gz XJKQAXZGCBTUOS-LRDDRELGSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001492381538 1092490973 /nfs/dbraw/zinc/49/09/73/1092490973.db2.gz MSZIIFLUCHMPPN-KRWDZBQOSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001492460763 1092515810 /nfs/dbraw/zinc/51/58/10/1092515810.db2.gz JZXJYQHIQJODFI-RBUKOAKNSA-N 0 3 308.425 3.177 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1CC1(C)CCCCC1 ZINC001208900666 1092574855 /nfs/dbraw/zinc/57/48/55/1092574855.db2.gz VQFZQODNVSZGHU-KRWDZBQOSA-N 0 3 317.477 3.492 20 30 DGEDHN CCC(CC)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001169197878 1092582352 /nfs/dbraw/zinc/58/23/52/1092582352.db2.gz QXMONGLXGZGMBJ-GOSISDBHSA-N 0 3 303.425 3.444 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001208943616 1092605258 /nfs/dbraw/zinc/60/52/58/1092605258.db2.gz FQUZMFLGUXWADX-NXHRZFHOSA-N 0 3 300.446 3.049 20 30 DGEDHN C=CCN(CCN(CC)Cc1cccc(OC)c1)C(=O)OCC ZINC001209020193 1092626133 /nfs/dbraw/zinc/62/61/33/1092626133.db2.gz DFFQWOGCSCLIFA-UHFFFAOYSA-N 0 3 320.433 3.162 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001209107661 1092654664 /nfs/dbraw/zinc/65/46/64/1092654664.db2.gz XIZSFKKVFRNGAM-BHIYHBOVSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001209116506 1092658105 /nfs/dbraw/zinc/65/81/05/1092658105.db2.gz SUVPMZUVSIGWIZ-JFIYKMOQSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209155920 1092674080 /nfs/dbraw/zinc/67/40/80/1092674080.db2.gz GZWHWOWMOHOIOF-ZDUSSCGKSA-N 0 3 317.260 3.080 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001209182622 1092684344 /nfs/dbraw/zinc/68/43/44/1092684344.db2.gz FTKXAWTYMHCRJX-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001209193923 1092689521 /nfs/dbraw/zinc/68/95/21/1092689521.db2.gz LRWWTJVAEUVCMF-WMZOPIPTSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCCN1CCCn2cnc(COCC3CC3)c2C1 ZINC001209204087 1092695551 /nfs/dbraw/zinc/69/55/51/1092695551.db2.gz YZDZOWHXLDROMS-UHFFFAOYSA-N 0 3 303.450 3.372 20 30 DGEDHN C#CCCCN1CCO[C@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001209262914 1092718050 /nfs/dbraw/zinc/71/80/50/1092718050.db2.gz CFPJOIAPWCIPFM-HXUWFJFHSA-N 0 3 312.457 3.080 20 30 DGEDHN C#CCCCN1CCN(Cc2ccncc2)c2nc(C)ccc2C1 ZINC001209267499 1092720449 /nfs/dbraw/zinc/72/04/49/1092720449.db2.gz RITGBVCDBLUXMY-UHFFFAOYSA-N 0 3 320.440 3.021 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001149854987 1092738426 /nfs/dbraw/zinc/73/84/26/1092738426.db2.gz SLPLFEWDUXJLFX-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCCCCN1CCN(c2cc(OC)ccn2)CC1 ZINC001209440488 1092774699 /nfs/dbraw/zinc/77/46/99/1092774699.db2.gz KYWUYHIBHIVFRC-UHFFFAOYSA-N 0 3 303.450 3.349 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H](C)CCCCC)C1 ZINC001150411516 1092777576 /nfs/dbraw/zinc/77/75/76/1092777576.db2.gz WXWWYJQLLWOPKW-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209453851 1092780634 /nfs/dbraw/zinc/78/06/34/1092780634.db2.gz DVSMIEDARPVVJM-PZJWPPBQSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209453849 1092780734 /nfs/dbraw/zinc/78/07/34/1092780734.db2.gz DVSMIEDARPVVJM-FPOVZHCZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cncs1)[C@H]2CC ZINC001209548475 1092817975 /nfs/dbraw/zinc/81/79/75/1092817975.db2.gz WYXFZJSNGVXBRQ-RDJZCZTQSA-N 0 3 319.474 3.065 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCCC2CCCC2)C1 ZINC001150787138 1092824468 /nfs/dbraw/zinc/82/44/68/1092824468.db2.gz JSDHJVNEQZNOQE-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H](C)CCCC)CC1 ZINC001151121078 1092866802 /nfs/dbraw/zinc/86/68/02/1092866802.db2.gz DYNWLJBHKZOCIB-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001209663669 1092870017 /nfs/dbraw/zinc/87/00/17/1092870017.db2.gz BYIHGZYPSNEKOM-KZNAEPCWSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1C)c1ccccc1 ZINC001211200377 1093415376 /nfs/dbraw/zinc/41/53/76/1093415376.db2.gz WGCODBNIBMIUFQ-NZSAHSFTSA-N 0 3 312.457 3.359 20 30 DGEDHN C[C@H](CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1)C1CC1 ZINC001211278736 1093440969 /nfs/dbraw/zinc/44/09/69/1093440969.db2.gz UOXPQGPGNXWCTF-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN CN1CCc2ccc(Nc3cc(C#N)cc([N+](=O)[O-])c3)cc2C1 ZINC001211334768 1093464032 /nfs/dbraw/zinc/46/40/32/1093464032.db2.gz ZTLNQCSGBWWWIM-UHFFFAOYSA-N 0 3 308.341 3.198 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001211395283 1093480381 /nfs/dbraw/zinc/48/03/81/1093480381.db2.gz NQMUCRDGYWVDHP-YQVWRLOYSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc3c(cnn3C)c2)no1 ZINC001211436317 1093493975 /nfs/dbraw/zinc/49/39/75/1093493975.db2.gz IKNOEEUPILPXSG-UHFFFAOYSA-N 0 3 323.400 3.122 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccccc2N(C)C)no1 ZINC001211436685 1093494755 /nfs/dbraw/zinc/49/47/55/1093494755.db2.gz SSENHRDTTMKKBQ-UHFFFAOYSA-N 0 3 312.417 3.302 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001211484660 1093505995 /nfs/dbraw/zinc/50/59/95/1093505995.db2.gz JXEKZUCWTQNJIX-CKEIUWERSA-N 0 3 320.864 3.141 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@H](OC)C1 ZINC001213285522 1093556443 /nfs/dbraw/zinc/55/64/43/1093556443.db2.gz UXQWJFOUTKJJOH-ZHALLVOQSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213295249 1093560009 /nfs/dbraw/zinc/56/00/09/1093560009.db2.gz ROPFFVRSGCMTBW-NCSNTAPHSA-N 0 3 322.493 3.295 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCC2CC2)[C@H](OC)C1 ZINC001213314658 1093564594 /nfs/dbraw/zinc/56/45/94/1093564594.db2.gz GSHIUASSCQSXSP-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@@H](C=C)CC)[C@H](OC)C1 ZINC001213322274 1093565463 /nfs/dbraw/zinc/56/54/63/1093565463.db2.gz FKQASWVXYKEKEP-RCCFBDPRSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213319751 1093566134 /nfs/dbraw/zinc/56/61/34/1093566134.db2.gz AXCFVEYGKOIZTF-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213322790 1093566206 /nfs/dbraw/zinc/56/62/06/1093566206.db2.gz RHXAEJAEADNOOA-TXTBDGNGSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCCCC)C[C@H]2OC)CC1 ZINC001213376721 1093575948 /nfs/dbraw/zinc/57/59/48/1093575948.db2.gz DMMHKBVWPPAMGG-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213497791 1093596464 /nfs/dbraw/zinc/59/64/64/1093596464.db2.gz GUJNACZCGLXZPC-VEUZHWNKSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213498014 1093596323 /nfs/dbraw/zinc/59/63/23/1093596323.db2.gz SHXBBKSXUCDPBY-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(CC)CC)[C@H](OC)C1 ZINC001213887895 1093675101 /nfs/dbraw/zinc/67/51/01/1093675101.db2.gz HBWBFXZPHBVTKL-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](OC)C1 ZINC001213901326 1093677662 /nfs/dbraw/zinc/67/76/62/1093677662.db2.gz PQEUUADGTZTKJH-HZPDHXFCSA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(=C)Cl)C1 ZINC001120383082 1094420057 /nfs/dbraw/zinc/42/00/57/1094420057.db2.gz TVAMGSORENVMMW-IAGOWNOFSA-N 0 3 322.880 3.245 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120391611 1094421439 /nfs/dbraw/zinc/42/14/39/1094421439.db2.gz DBTKJFCOWFGZIB-JKSUJKDBSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]([C@@H]3CCCN3CCF)C2)CCC1 ZINC001120429939 1094428096 /nfs/dbraw/zinc/42/80/96/1094428096.db2.gz FHXFNIAQWVXFIO-SJORKVTESA-N 0 3 322.468 3.405 20 30 DGEDHN C[C@@H](C(=O)NCCNCc1cccc(C#N)c1)[C@@H](C)C(C)(C)C ZINC001135177787 1094428896 /nfs/dbraw/zinc/42/88/96/1094428896.db2.gz LPECYUUFJUWEBH-HUUCEWRRSA-N 0 3 315.461 3.082 20 30 DGEDHN C=CCCC1(C(=O)N2CCC[C@H]([C@H]3CCCN3CCF)C2)CC1 ZINC001120432158 1094429843 /nfs/dbraw/zinc/42/98/43/1094429843.db2.gz YTOQVISCPUAHMP-DLBZAZTESA-N 0 3 322.468 3.405 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135181930 1094432119 /nfs/dbraw/zinc/43/21/19/1094432119.db2.gz WKPOURNVVNJBLN-OLZOCXBDSA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135184420 1094433322 /nfs/dbraw/zinc/43/33/22/1094433322.db2.gz HNVKMMYEYKVDAY-CHWSQXEVSA-N 0 3 323.506 3.427 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)C1(C)CCC1)NCc1ccccc1C#N ZINC001135208244 1094446020 /nfs/dbraw/zinc/44/60/20/1094446020.db2.gz QBWGWFUNRLVJPT-CABCVRRESA-N 0 3 313.445 3.121 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC001135230672 1094460095 /nfs/dbraw/zinc/46/00/95/1094460095.db2.gz QFVRUIMTORPURK-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001135230674 1094460303 /nfs/dbraw/zinc/46/03/03/1094460303.db2.gz QFVRUIMTORPURK-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCC(=C)Br ZINC001135353096 1094499952 /nfs/dbraw/zinc/49/99/52/1094499952.db2.gz BZRZYPAGSNPBMD-QWHCGFSZSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001135358527 1094501773 /nfs/dbraw/zinc/50/17/73/1094501773.db2.gz TXJMICDATGZVEC-HOTGVXAUSA-N 0 3 320.481 3.193 20 30 DGEDHN CC1(C)N[C@H](CO[C@H](C#C[Si](C)(C)C)c2ccccc2)CO1 ZINC001217834930 1094502723 /nfs/dbraw/zinc/50/27/23/1094502723.db2.gz UZUARELDKKUEEJ-IAGOWNOFSA-N 0 3 317.505 3.350 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OCCC(c1ccccc1)c1ccccc1 ZINC001217832767 1094502897 /nfs/dbraw/zinc/50/28/97/1094502897.db2.gz QDSVYRNDPLGTKZ-AZUAARDMSA-N 0 3 306.409 3.337 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OC1(Cl)c2ccccc2-c2ccccc21 ZINC001217831706 1094502915 /nfs/dbraw/zinc/50/29/15/1094502915.db2.gz KVUZOJYRGLLXLI-SJKOYZFVSA-N 0 3 310.784 3.235 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)sc1C ZINC001135358726 1094502919 /nfs/dbraw/zinc/50/29/19/1094502919.db2.gz XMTNOFJXRMWOOH-CHWSQXEVSA-N 0 3 323.506 3.489 20 30 DGEDHN COC(=O)CCCCCCCCCCCO[C@@H]1CNC[C@@H]1C#N ZINC001217833188 1094502997 /nfs/dbraw/zinc/50/29/97/1094502997.db2.gz RIXOOYWRVJFBTD-DLBZAZTESA-N 0 3 324.465 3.189 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135358754 1094503348 /nfs/dbraw/zinc/50/33/48/1094503348.db2.gz XYWOJRIFBDQVKA-CHWSQXEVSA-N 0 3 309.479 3.181 20 30 DGEDHN C/C=C(/C)C(=O)NC1CC2(CC(NCc3ccccc3C#N)C2)C1 ZINC001120915646 1094553982 /nfs/dbraw/zinc/55/39/82/1094553982.db2.gz ZWHNMHIXQQIART-BNNQUZSASA-N 0 3 323.440 3.041 20 30 DGEDHN CCCCCC[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135547051 1094572073 /nfs/dbraw/zinc/57/20/73/1094572073.db2.gz HSSRJXMTGJGTCQ-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135560865 1094577487 /nfs/dbraw/zinc/57/74/87/1094577487.db2.gz MKENOFGUXYNBBX-CHWSQXEVSA-N 0 3 323.506 3.427 20 30 DGEDHN CN(C)CCN(C(=O)c1sccc1CC#N)c1ccccc1 ZINC001336381323 1094636855 /nfs/dbraw/zinc/63/68/55/1094636855.db2.gz VLYXPQJVCNYAEY-UHFFFAOYSA-N 0 3 313.426 3.023 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC23CCC3)C1 ZINC001103476346 1094642004 /nfs/dbraw/zinc/64/20/04/1094642004.db2.gz ZCGRGTNLEVQSGO-BPLDGKMQSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001086788101 1094686752 /nfs/dbraw/zinc/68/67/52/1094686752.db2.gz ZXXJUMYXOQXUHO-GXTWGEPZSA-N 0 3 321.852 3.133 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001086793546 1094687980 /nfs/dbraw/zinc/68/79/80/1094687980.db2.gz YURCFZIPDXITKG-GOEBONIOSA-N 0 3 310.869 3.360 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1CN2CCC1CC2 ZINC001336780417 1094736838 /nfs/dbraw/zinc/73/68/38/1094736838.db2.gz JWGTYUUIOCAENG-OAHLLOKOSA-N 0 3 312.804 3.266 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1C ZINC001103828413 1094763782 /nfs/dbraw/zinc/76/37/82/1094763782.db2.gz ZQDUACAJPIGUER-HJWXVDRSSA-N 0 3 322.836 3.120 20 30 DGEDHN C=CCC[C@H](CC)Oc1nc2onc(C)c2c2c1CNCC2 ZINC001218437274 1094773684 /nfs/dbraw/zinc/77/36/84/1094773684.db2.gz YWJNETRFKTZMJO-LBPRGKRZSA-N 0 3 301.390 3.301 20 30 DGEDHN C[C@H](C[C@H](C)NCc1cc(F)ccc1C#N)NC(=O)C(C)(C)C ZINC001135983998 1094777402 /nfs/dbraw/zinc/77/74/02/1094777402.db2.gz SYYNCZVKHHBIGN-QWHCGFSZSA-N 0 3 319.424 3.116 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1C ZINC001103865467 1094777622 /nfs/dbraw/zinc/77/76/22/1094777622.db2.gz UXNZMVPQJGJAIH-FVQBIDKESA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@H](C)c1cccc(OC)c1 ZINC001121848152 1094794584 /nfs/dbraw/zinc/79/45/84/1094794584.db2.gz HRHCLZMNFJMRQK-RHSMWYFYSA-N 0 3 304.434 3.288 20 30 DGEDHN C=CCOC(=O)c1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218491531 1094821772 /nfs/dbraw/zinc/82/17/72/1094821772.db2.gz VCOFPUXCNNLNBT-SFHVURJKSA-N 0 3 309.365 3.253 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC001337086382 1094848238 /nfs/dbraw/zinc/84/82/38/1094848238.db2.gz DFLSTDCVBIKMSA-DOTOQJQBSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC001337086383 1094848580 /nfs/dbraw/zinc/84/85/80/1094848580.db2.gz DFLSTDCVBIKMSA-NVXWUHKLSA-N 0 3 324.827 3.219 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(OC)cc(OC)c1 ZINC001218810521 1094871408 /nfs/dbraw/zinc/87/14/08/1094871408.db2.gz XBIMHJXQEMBVOJ-INIZCTEOSA-N 0 3 306.406 3.106 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)OCCNC2 ZINC001122135396 1094909195 /nfs/dbraw/zinc/90/91/95/1094909195.db2.gz BLRXPXAHRMSVRB-WMLDXEAASA-N 0 3 314.429 3.033 20 30 DGEDHN CCc1ccc2ccccc2c1CNC(=O)[C@@H](N)CCCC#N ZINC001122187078 1094922043 /nfs/dbraw/zinc/92/20/43/1094922043.db2.gz DROBHKXSZTYFEA-SFHVURJKSA-N 0 3 309.413 3.040 20 30 DGEDHN C=CCCC[C@@H](NC(=O)[C@H](N)CCSC)c1ccccc1 ZINC001122216346 1094927397 /nfs/dbraw/zinc/92/73/97/1094927397.db2.gz DSNXBCBYCHTWCM-HZPDHXFCSA-N 0 3 306.475 3.281 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(CC2CCCCC2)CC1 ZINC001122365468 1094959198 /nfs/dbraw/zinc/95/91/98/1094959198.db2.gz YXVIGPSKPDBQNN-QGZVFWFLSA-N 0 3 305.466 3.217 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCC(C)(C)C)[C@@H](O)C1 ZINC001219363735 1094968240 /nfs/dbraw/zinc/96/82/40/1094968240.db2.gz IELRKSKFDWOFNF-SJORKVTESA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2cccs2)C1 ZINC001111885699 1094999592 /nfs/dbraw/zinc/99/95/92/1094999592.db2.gz ZNZWDCAQWKLUBI-VKJFTORMSA-N 0 3 318.486 3.083 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001111892525 1095004449 /nfs/dbraw/zinc/00/44/49/1095004449.db2.gz UHYHBFMEXNULIC-LMNJBCLMSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC2CCCCC2)C1 ZINC001111965800 1095018892 /nfs/dbraw/zinc/01/88/92/1095018892.db2.gz UBPNZHWESZXUIJ-ICSRJNTNSA-N 0 3 316.489 3.341 20 30 DGEDHN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1cccc(F)n1 ZINC001122637981 1095023530 /nfs/dbraw/zinc/02/35/30/1095023530.db2.gz VQECZFQUHUGXIY-VLWUPBBWSA-N 0 3 301.708 3.159 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC001220350464 1095086747 /nfs/dbraw/zinc/08/67/47/1095086747.db2.gz DCJRZGWOFOBCTF-MRXNPFEDSA-N 0 3 321.424 3.310 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](c1ccccc1)C(C)C ZINC001115111250 1095132050 /nfs/dbraw/zinc/13/20/50/1095132050.db2.gz MVBLQUQSKOLNKM-PNYFIKQUSA-N 0 3 312.457 3.049 20 30 DGEDHN C=C[C@@H]1C[C@]1(N)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC001220763404 1095151870 /nfs/dbraw/zinc/15/18/70/1095151870.db2.gz AOXPZJKLLQCURU-SVFBPWRDSA-N 0 3 320.436 3.298 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001220837042 1095162447 /nfs/dbraw/zinc/16/24/47/1095162447.db2.gz QZEOOMNBTCFCMQ-SJORKVTESA-N 0 3 312.498 3.087 20 30 DGEDHN C=C(CC(C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001136832853 1095190629 /nfs/dbraw/zinc/19/06/29/1095190629.db2.gz VOGFPZIUFNPPRQ-GOSISDBHSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(CC(C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001136832854 1095192393 /nfs/dbraw/zinc/19/23/93/1095192393.db2.gz VOGFPZIUFNPPRQ-SFHVURJKSA-N 0 3 300.446 3.370 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001123234432 1095197010 /nfs/dbraw/zinc/19/70/10/1095197010.db2.gz VDADNHSNWNDGIG-RWMBFGLXSA-N 0 3 305.809 3.466 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)o2)CCCCC1 ZINC001115395119 1095204472 /nfs/dbraw/zinc/20/44/72/1095204472.db2.gz DUDCMPGTGYXLQA-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=C[C@@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001338161559 1095206417 /nfs/dbraw/zinc/20/64/17/1095206417.db2.gz CYYBINLAEBSPIR-KRWDZBQOSA-N 0 3 313.397 3.262 20 30 DGEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001221270582 1095228901 /nfs/dbraw/zinc/22/89/01/1095228901.db2.gz TVATZPDKGJDARB-CHWSQXEVSA-N 0 3 308.809 3.046 20 30 DGEDHN C[C@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@H](C)N1CC#N ZINC001338287268 1095251493 /nfs/dbraw/zinc/25/14/93/1095251493.db2.gz CWPYMABSDUIGMT-IRXDYDNUSA-N 0 3 320.440 3.167 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccns2)CCCCC1 ZINC001115556936 1095277243 /nfs/dbraw/zinc/27/72/43/1095277243.db2.gz KLEKQOYJNTWPKT-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581407 1095307643 /nfs/dbraw/zinc/30/76/43/1095307643.db2.gz WZDPVZOOVCFSNE-QGZVFWFLSA-N 0 3 315.461 3.396 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C/C=C\Cc3ccccc3)[C@@H]2C1 ZINC001221629617 1095315233 /nfs/dbraw/zinc/31/52/33/1095315233.db2.gz GVKUEKHBPDOUPV-KJYWSYJISA-N 0 3 324.468 3.284 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCCCCF)C[C@H]32)CCC1 ZINC001221797964 1095361161 /nfs/dbraw/zinc/36/11/61/1095361161.db2.gz PTNRJQQYOKUBGR-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCCCC(C)C)[C@@H]2C1 ZINC001221853290 1095375886 /nfs/dbraw/zinc/37/58/86/1095375886.db2.gz DPUGUEYHQFVHTO-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@@H]2C(C)C)CCCCC1 ZINC001115797380 1095392787 /nfs/dbraw/zinc/39/27/87/1095392787.db2.gz BKQQWKZSKYPBFH-HUUCEWRRSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1ccc(C)s1 ZINC001171115007 1095425521 /nfs/dbraw/zinc/42/55/21/1095425521.db2.gz GZAMTOYATODIKV-LBPRGKRZSA-N 0 3 300.855 3.008 20 30 DGEDHN O=C1C=C2CN(Cc3c(Cl)ccc(F)c3F)CCC2S1 ZINC001143948930 1095452250 /nfs/dbraw/zinc/45/22/50/1095452250.db2.gz FTJBGCWWZPJDSQ-GFCCVEGCSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCC[C@@H](C(=O)N1C[C@H]2CCN(CC)C[C@H]21)c1ccccc1 ZINC001222141794 1095453483 /nfs/dbraw/zinc/45/34/83/1095453483.db2.gz CGUJNPMTBNISOH-GUDVDZBRSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CC[C@H](C)C(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001144019353 1095476099 /nfs/dbraw/zinc/47/60/99/1095476099.db2.gz BZXXYAZMCAPKRA-HNNXBMFYSA-N 0 3 318.436 3.461 20 30 DGEDHN CCCC[C@H](CC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001123935727 1095488565 /nfs/dbraw/zinc/48/85/65/1095488565.db2.gz ITAUOQPUOLNSOS-ZDUSSCGKSA-N 0 3 307.463 3.042 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001171187970 1095675403 /nfs/dbraw/zinc/67/54/03/1095675403.db2.gz RMNWNPYYTYPUOQ-INIZCTEOSA-N 0 3 322.880 3.412 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC001339787504 1095730574 /nfs/dbraw/zinc/73/05/74/1095730574.db2.gz GDLWMVFZEOMBNB-PBHICJAKSA-N 0 3 304.434 3.335 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](CO)c1cc(F)ccc1F ZINC001171202153 1095735576 /nfs/dbraw/zinc/73/55/76/1095735576.db2.gz WRVHJPVWVGWNRU-KPZWWZAWSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H]1CCc2ccccc2C1=O ZINC001171201741 1095737254 /nfs/dbraw/zinc/73/72/54/1095737254.db2.gz QMJGXQSEFIZBJG-KUHUBIRLSA-N 0 3 304.393 3.277 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2cc3c(cc2C1)OCO3 ZINC001171209994 1095772806 /nfs/dbraw/zinc/77/28/06/1095772806.db2.gz OTUCMMIBZCHKGV-CQSZACIVSA-N 0 3 320.392 3.276 20 30 DGEDHN N#CCOc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC001117633158 1095787966 /nfs/dbraw/zinc/78/79/66/1095787966.db2.gz ONYJAHDHALPAPM-LJQANCHMSA-N 0 3 303.365 3.238 20 30 DGEDHN COCn1ncc(C)c1CN[C@@H](CCCC#N)c1ccccc1 ZINC001117698374 1095805264 /nfs/dbraw/zinc/80/52/64/1095805264.db2.gz DEGKTQZOTHAYFL-KRWDZBQOSA-N 0 3 312.417 3.320 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC001339996057 1095805480 /nfs/dbraw/zinc/80/54/80/1095805480.db2.gz MWPGPLGNFYYLTC-CQSZACIVSA-N 0 3 324.371 3.251 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C(CC)CC)C[C@@H]21 ZINC001223032442 1095838134 /nfs/dbraw/zinc/83/81/34/1095838134.db2.gz QXTONNGANSOGGZ-JQHSSLGASA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001340128927 1095875994 /nfs/dbraw/zinc/87/59/94/1095875994.db2.gz MWTXCDNLDPITQU-BZNIZROVSA-N 0 3 308.372 3.094 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](CC)CCCC)C[C@@H]21 ZINC001223145877 1095884738 /nfs/dbraw/zinc/88/47/38/1095884738.db2.gz VTWHCSLBYHNKLO-KURKYZTESA-N 0 3 304.478 3.149 20 30 DGEDHN CC[C@@H](CC#N)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171249115 1095923228 /nfs/dbraw/zinc/92/32/28/1095923228.db2.gz GCOFHFYYXNFWRC-OOKSDGMUSA-N 0 3 311.429 3.104 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001091380608 1095924582 /nfs/dbraw/zinc/92/45/82/1095924582.db2.gz BARJLZWVOHIPQV-SLTAFYQDSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001276891429 1095971421 /nfs/dbraw/zinc/97/14/21/1095971421.db2.gz JZDIPYICAJQMNI-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC/C=C\c3ccccc3)C[C@@H]21 ZINC001223500414 1095986594 /nfs/dbraw/zinc/98/65/94/1095986594.db2.gz SJJLIRSDQYISPQ-HRFKEGQDSA-N 0 3 322.452 3.036 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1c(F)cccc1N1CCCC1 ZINC001340845009 1096050629 /nfs/dbraw/zinc/05/06/29/1096050629.db2.gz POBQZNYWNBYGLK-AWEZNQCLSA-N 0 3 305.397 3.048 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)CCC(C)(C)C)C[C@@H]21 ZINC001223923257 1096097348 /nfs/dbraw/zinc/09/73/48/1096097348.db2.gz XCSDHFXIHSNFRD-KSZLIROESA-N 0 3 318.505 3.395 20 30 DGEDHN CC1([C@@H]2CCCN(Cc3cc(Cl)cc(C#N)c3)C2)OCCO1 ZINC001341025384 1096100043 /nfs/dbraw/zinc/10/00/43/1096100043.db2.gz MXUCHWNOPJMGTD-OAHLLOKOSA-N 0 3 320.820 3.187 20 30 DGEDHN N#CCC1(CN2CCC([C@@H]3c4ccccc4NC3=O)CC2)CC1 ZINC001119250630 1096145095 /nfs/dbraw/zinc/14/50/95/1096145095.db2.gz OCPHTHMRBOLEKF-QGZVFWFLSA-N 0 3 309.413 3.128 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001224198009 1096159377 /nfs/dbraw/zinc/15/93/77/1096159377.db2.gz JPJWFJYYFIYUJW-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224198228 1096160200 /nfs/dbraw/zinc/16/02/00/1096160200.db2.gz MFZUTGVMCKAGQC-CYBMUJFWSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1)C2 ZINC001147158415 1096175298 /nfs/dbraw/zinc/17/52/98/1096175298.db2.gz ACNKDGMTWWVWHJ-YFHOEESVSA-N 0 3 310.441 3.200 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224276701 1096177732 /nfs/dbraw/zinc/17/77/32/1096177732.db2.gz GZXRTLLFJHZAED-UHFFFAOYSA-N 0 3 306.372 3.123 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001276985765 1096249164 /nfs/dbraw/zinc/24/91/64/1096249164.db2.gz IYPLSBIRYSOFJP-ZWKOTPCHSA-N 0 3 300.446 3.335 20 30 DGEDHN C#CCN1CCC(CNC(=O)C(C)(C)C2CCCCC2)CC1 ZINC001224788780 1096285717 /nfs/dbraw/zinc/28/57/17/1096285717.db2.gz XPDKNDWIUFYGTH-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(CNC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001224872571 1096304447 /nfs/dbraw/zinc/30/44/47/1096304447.db2.gz QZBADSWINVVOOK-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCN[C@@H](C(C)C)C1)c1ccccc1 ZINC001148127625 1096318725 /nfs/dbraw/zinc/31/87/25/1096318725.db2.gz BVGRMIAPXQQRQN-QZTJIDSGSA-N 0 3 300.446 3.193 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccccc3C(C)C)C[C@]2(C)C1 ZINC001091722479 1096363910 /nfs/dbraw/zinc/36/39/10/1096363910.db2.gz LWELMSAUUFKNSD-UTKZUKDTSA-N 0 3 324.468 3.227 20 30 DGEDHN C=CC[C@H](C(=O)NCC1CCN(CC#CC)CC1)c1ccccc1 ZINC001225506908 1096452912 /nfs/dbraw/zinc/45/29/12/1096452912.db2.gz URUROLDMIJWAGG-FQEVSTJZSA-N 0 3 324.468 3.198 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225593208 1096476295 /nfs/dbraw/zinc/47/62/95/1096476295.db2.gz YMTQYWOHBIFYRE-XLLPMFPPSA-N 0 3 310.441 3.021 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001225638849 1096491061 /nfs/dbraw/zinc/49/10/61/1096491061.db2.gz KIQUTKAITIYNTR-SJLPKXTDSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001086883252 1096495667 /nfs/dbraw/zinc/49/56/67/1096495667.db2.gz AVAZZFJUWPGOKG-DSIITGHMSA-N 0 3 324.896 3.440 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C3CCCCC3)C2)CC1 ZINC001086900899 1096499146 /nfs/dbraw/zinc/49/91/46/1096499146.db2.gz UYYKXASBLNZXRB-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3CCCCCC3)C2)CC1 ZINC001086908056 1096504495 /nfs/dbraw/zinc/50/44/95/1096504495.db2.gz MZNPXCVMVNAUFB-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cc(C)cs3)C2)CC1 ZINC001086921304 1096509118 /nfs/dbraw/zinc/50/91/18/1096509118.db2.gz MCDKGADISXOOHR-HNNXBMFYSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(C)cs3)C2)CC1 ZINC001086921305 1096509240 /nfs/dbraw/zinc/50/92/40/1096509240.db2.gz MCDKGADISXOOHR-OAHLLOKOSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCC3CCC3)C2)CC1 ZINC001086915099 1096512522 /nfs/dbraw/zinc/51/25/22/1096512522.db2.gz ZTPHMMUHRZLACT-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC=CCC3)C2)CC1 ZINC001086937110 1096513360 /nfs/dbraw/zinc/51/33/60/1096513360.db2.gz GUXVCPKCGKBZEO-ZWKOTPCHSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC3(C)C)C2)CC1 ZINC001086938047 1096514023 /nfs/dbraw/zinc/51/40/23/1096514023.db2.gz GRGBWAZPUZKHIJ-IAGOWNOFSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC3(C)C)C2)CC1 ZINC001086938046 1096514365 /nfs/dbraw/zinc/51/43/65/1096514365.db2.gz GRGBWAZPUZKHIJ-DLBZAZTESA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001086928524 1096518872 /nfs/dbraw/zinc/51/88/72/1096518872.db2.gz GHWCESOBRAYCLK-SJORKVTESA-N 0 3 316.489 3.149 20 30 DGEDHN COc1cccc(CC#N)c1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001225842296 1096543347 /nfs/dbraw/zinc/54/33/47/1096543347.db2.gz AYWTWBLQSDHQHM-GOSISDBHSA-N 0 3 322.408 3.415 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001277082446 1096560828 /nfs/dbraw/zinc/56/08/28/1096560828.db2.gz XAWQHQYDSJJPAK-YJQQZRKUSA-N 0 3 324.896 3.440 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C(CC)(CC)CC)C[C@]2(C)C1 ZINC001092140801 1096578386 /nfs/dbraw/zinc/57/83/86/1096578386.db2.gz IHMWPOQPRCSVLA-AEFFLSMTSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001092311507 1096601341 /nfs/dbraw/zinc/60/13/41/1096601341.db2.gz RKALEKAEMXJLRT-HLIPFELVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)n1c2ccccc2nc1OC1CCN(CCOC)CC1 ZINC001226218146 1096639807 /nfs/dbraw/zinc/63/98/07/1096639807.db2.gz CYUZYRMABKUXFW-UHFFFAOYSA-N 0 3 315.417 3.017 20 30 DGEDHN C=CCCC(=O)NC1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001226518884 1096711576 /nfs/dbraw/zinc/71/15/76/1096711576.db2.gz NZRUAUBDPFFZKC-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccc(C3CC3)cc2)CC1 ZINC001277150681 1096760813 /nfs/dbraw/zinc/76/08/13/1096760813.db2.gz QNGIALWFWGMXIO-UHFFFAOYSA-N 0 3 324.468 3.496 20 30 DGEDHN C=CCCCCCCN1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277160316 1096795869 /nfs/dbraw/zinc/79/58/69/1096795869.db2.gz RGVVCZLNJFLKGD-QFBILLFUSA-N 0 3 315.461 3.150 20 30 DGEDHN C=CCCCCCCCN1CC2(C[C@H]2C(=O)N2CCCCO2)C1 ZINC001277170001 1096830477 /nfs/dbraw/zinc/83/04/77/1096830477.db2.gz KGVKXIQFVXPBMM-KRWDZBQOSA-N 0 3 320.477 3.389 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001227084833 1096863930 /nfs/dbraw/zinc/86/39/30/1096863930.db2.gz LSKHWVHZXUUBLC-UHFFFAOYSA-N 0 3 316.420 3.018 20 30 DGEDHN CC(C)C#CC(=O)NC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001227266033 1096907750 /nfs/dbraw/zinc/90/77/50/1096907750.db2.gz SLXWUWWLJWYJFC-UHFFFAOYSA-N 0 3 324.468 3.304 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c3C2)o1 ZINC001171519253 1096916746 /nfs/dbraw/zinc/91/67/46/1096916746.db2.gz CWHUSRKEGTZBQR-SNVBAGLBSA-N 0 3 306.287 3.216 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1nccnc1C ZINC001171818468 1096974324 /nfs/dbraw/zinc/97/43/24/1096974324.db2.gz MEYAJUCKZZPJKB-UHFFFAOYSA-N 0 3 320.481 3.132 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1conc1C ZINC001171818213 1096974478 /nfs/dbraw/zinc/97/44/78/1096974478.db2.gz AZXIOMJOKADKRY-UHFFFAOYSA-N 0 3 309.454 3.330 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc(C(C)C)n1 ZINC001277236955 1096981758 /nfs/dbraw/zinc/98/17/58/1096981758.db2.gz HZUVHJGSTMBRPX-CQSZACIVSA-N 0 3 323.868 3.446 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(Cl)cc1Cl ZINC001171857999 1096992659 /nfs/dbraw/zinc/99/26/59/1096992659.db2.gz CTJSAQRITKKACW-UHFFFAOYSA-N 0 3 321.635 3.455 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CCCF)CC2)C1 ZINC001277274178 1097057539 /nfs/dbraw/zinc/05/75/39/1097057539.db2.gz JDLFMASTSBVNCD-HNNXBMFYSA-N 0 3 316.848 3.049 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228130681 1097058301 /nfs/dbraw/zinc/05/83/01/1097058301.db2.gz RWWJWVCZRUMRRN-NUEKZKHPSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CC2(C)CCCCC2)CC1 ZINC001228243212 1097080306 /nfs/dbraw/zinc/08/03/06/1097080306.db2.gz HXKMNZPVLBQTMU-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN COc1cccc(OC)c1CN[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172291815 1097106640 /nfs/dbraw/zinc/10/66/40/1097106640.db2.gz AFSQFMWWZRCOHB-AWEZNQCLSA-N 0 3 310.397 3.296 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)Cc1ccc(F)cc1 ZINC001172299603 1097109607 /nfs/dbraw/zinc/10/96/07/1097109607.db2.gz MGRSGNJYEWTLDN-AWEZNQCLSA-N 0 3 310.372 3.030 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnoc1C(C)C ZINC001277329368 1097190520 /nfs/dbraw/zinc/19/05/20/1097190520.db2.gz QRFPGZUNVPJBJJ-LBPRGKRZSA-N 0 3 313.829 3.039 20 30 DGEDHN C=CCCCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001228894566 1097212123 /nfs/dbraw/zinc/21/21/23/1097212123.db2.gz AMRRXJYILBFTFI-UHFFFAOYSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001229370316 1097307763 /nfs/dbraw/zinc/30/77/63/1097307763.db2.gz WJPAYZHHPZLDOQ-UHFFFAOYSA-N 0 3 324.509 3.232 20 30 DGEDHN Cc1nnc(O[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1C ZINC001229447478 1097323507 /nfs/dbraw/zinc/32/35/07/1097323507.db2.gz SCKMDVQFYMYOOH-KRWDZBQOSA-N 0 3 322.412 3.009 20 30 DGEDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC#CC(C)(C)C)c1F ZINC001173185005 1097356771 /nfs/dbraw/zinc/35/67/71/1097356771.db2.gz UFSOGJBVSXERFM-GFCCVEGCSA-N 0 3 322.380 3.313 20 30 DGEDHN C=CCOC1CCC(N[C@H]2c3cc(C)ccc3NC2=O)CC1 ZINC001173309534 1097408092 /nfs/dbraw/zinc/40/80/92/1097408092.db2.gz XAUFURGJHKPGTM-KVULBXGLSA-N 0 3 300.402 3.092 20 30 DGEDHN C[C@H]1CN(C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173330867 1097418688 /nfs/dbraw/zinc/41/86/88/1097418688.db2.gz GLYWRJLVLYKDDC-FHERZECASA-N 0 3 321.465 3.400 20 30 DGEDHN N#CCC1CCC(N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC001173335024 1097421016 /nfs/dbraw/zinc/42/10/16/1097421016.db2.gz CPXUBUSTYOIXKP-UHFFFAOYSA-N 0 3 324.428 3.422 20 30 DGEDHN CC1(C#N)CCC(NCc2cccnc2Br)CC1 ZINC001173591353 1097465591 /nfs/dbraw/zinc/46/55/91/1097465591.db2.gz ZRFCDCWSKFJSHJ-UHFFFAOYSA-N 0 3 308.223 3.406 20 30 DGEDHN CC1(C#N)CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC001173591676 1097466392 /nfs/dbraw/zinc/46/63/92/1097466392.db2.gz OWCRMDYCNCZNMU-UHFFFAOYSA-N 0 3 300.328 3.007 20 30 DGEDHN CC1(C#N)CCC(N2CCN(c3cc(Cl)ccn3)CC2)CC1 ZINC001173596620 1097466887 /nfs/dbraw/zinc/46/68/87/1097466887.db2.gz AIJOSZOCUOVUNN-UHFFFAOYSA-N 0 3 318.852 3.329 20 30 DGEDHN CC1(C#N)CCC(N2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC1 ZINC001173595758 1097467240 /nfs/dbraw/zinc/46/72/40/1097467240.db2.gz VZEPSEGQXJBGSA-OLOUCDKRSA-N 0 3 318.461 3.117 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)NC1CCN(CC=C)CC1 ZINC001230322241 1097475501 /nfs/dbraw/zinc/47/55/01/1097475501.db2.gz YEQAOUFIIVAHQG-GOSISDBHSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2cc(C)sc2C)CC1 ZINC001230397272 1097486921 /nfs/dbraw/zinc/48/69/21/1097486921.db2.gz KTJBGSVBTLFWCH-UHFFFAOYSA-N 0 3 306.475 3.064 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N[C@H](C)c1ccccc1F ZINC001491556048 1097491596 /nfs/dbraw/zinc/49/15/96/1097491596.db2.gz UXHNTSLIDPLKPI-HUUCEWRRSA-N 0 3 304.409 3.175 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC001491556046 1097491697 /nfs/dbraw/zinc/49/16/97/1097491697.db2.gz UXHNTSLIDPLKPI-CABCVRRESA-N 0 3 304.409 3.175 20 30 DGEDHN C=C(C)CN(CCCNC(=O)CC(C)C)Cc1cccnc1 ZINC001230655807 1097547527 /nfs/dbraw/zinc/54/75/27/1097547527.db2.gz BHJGPBSDRQZNSV-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN C=C(C)CN(CCCNC(=O)CC(C)(C)C)Cc1cccnc1 ZINC001230675174 1097552001 /nfs/dbraw/zinc/55/20/01/1097552001.db2.gz NYCDJSFFWWBOBF-UHFFFAOYSA-N 0 3 317.477 3.402 20 30 DGEDHN CNC(=O)c1cc(C#N)cc(C)c1Nc1ccccc1CN(C)C ZINC001173930996 1097556716 /nfs/dbraw/zinc/55/67/16/1097556716.db2.gz UFNCQZNQILFICN-UHFFFAOYSA-N 0 3 322.412 3.032 20 30 DGEDHN C=CCCC(=O)NCCCN(CC[C@@H](C)F)Cc1cccnc1 ZINC001230709343 1097561774 /nfs/dbraw/zinc/56/17/74/1097561774.db2.gz ARUYZDLFFWSAKX-MRXNPFEDSA-N 0 3 321.440 3.104 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230820269 1097597530 /nfs/dbraw/zinc/59/75/30/1097597530.db2.gz ZTZLQAMWSQWOCZ-MRXNPFEDSA-N 0 3 303.450 3.012 20 30 DGEDHN C=CCCCC(=O)NCCCN(CC(=C)C)Cc1cccnc1 ZINC001230829789 1097601433 /nfs/dbraw/zinc/60/14/33/1097601433.db2.gz OHXGWVAGNVPPEV-UHFFFAOYSA-N 0 3 315.461 3.322 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)COC1CCCC1 ZINC001230901291 1097618039 /nfs/dbraw/zinc/61/80/39/1097618039.db2.gz ZIRVNVKKKRRPRM-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCc1ccccc1 ZINC001231123501 1097675241 /nfs/dbraw/zinc/67/52/41/1097675241.db2.gz UTVOCKCPQWAPLR-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCCCOC ZINC001231123931 1097675456 /nfs/dbraw/zinc/67/54/56/1097675456.db2.gz XXNRZXBYYBGSAO-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN COCCCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001231510558 1097768308 /nfs/dbraw/zinc/76/83/08/1097768308.db2.gz YXOUSFWGKXMRBW-MRXNPFEDSA-N 0 3 302.418 3.228 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001231658569 1097805205 /nfs/dbraw/zinc/80/52/05/1097805205.db2.gz ZENPGZMJEUXIAQ-XJKSGUPXSA-N 0 3 311.347 3.193 20 30 DGEDHN C#Cc1cccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001231663682 1097809248 /nfs/dbraw/zinc/80/92/48/1097809248.db2.gz PAYFLUAYLYNKOU-RBUKOAKNSA-N 0 3 300.421 3.066 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001174832686 1097851943 /nfs/dbraw/zinc/85/19/43/1097851943.db2.gz DKRSBOVZJFZNKX-ZBFHGGJFSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001174834324 1097853123 /nfs/dbraw/zinc/85/31/23/1097853123.db2.gz YXYJGFLMWSOGFU-GOEBONIOSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001174848358 1097866672 /nfs/dbraw/zinc/86/66/72/1097866672.db2.gz CGJDXGPWODFLSW-GDBMZVCRSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001175081475 1097941325 /nfs/dbraw/zinc/94/13/25/1097941325.db2.gz GXTWECZRTVLVCR-KDOFPFPSSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2ccccc2)CCCC1 ZINC001175439600 1098049431 /nfs/dbraw/zinc/04/94/31/1098049431.db2.gz MNEUAYZTZLODCQ-UHFFFAOYSA-N 0 3 320.864 3.347 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(CCC)c(C)s1 ZINC001175612797 1098120493 /nfs/dbraw/zinc/12/04/93/1098120493.db2.gz UVBSKEVUHOMKSC-UHFFFAOYSA-N 0 3 314.882 3.471 20 30 DGEDHN Cc1cc(C#N)ccc1CN1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001175713627 1098141593 /nfs/dbraw/zinc/14/15/93/1098141593.db2.gz AOLCOASCOMSGLE-PMACEKPBSA-N 0 3 303.409 3.330 20 30 DGEDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001232844805 1098151336 /nfs/dbraw/zinc/15/13/36/1098151336.db2.gz DSCVBSCOJIRTFS-OLZOCXBDSA-N 0 3 306.431 3.031 20 30 DGEDHN CN(Cc1ccc(Br)c(C#N)c1)C[C@H]1CCCCO1 ZINC001232895572 1098167214 /nfs/dbraw/zinc/16/72/14/1098167214.db2.gz PCCRMYLRNOPKCN-CQSZACIVSA-N 0 3 323.234 3.322 20 30 DGEDHN Cc1cnccc1O[C@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC001233083559 1098223349 /nfs/dbraw/zinc/22/33/49/1098223349.db2.gz PVSCRHYZDWIUNO-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001176214407 1098285172 /nfs/dbraw/zinc/28/51/72/1098285172.db2.gz FRNNPXBZSHWRRU-UHFFFAOYSA-N 0 3 320.864 3.183 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001233531501 1098366790 /nfs/dbraw/zinc/36/67/90/1098366790.db2.gz ZXUCFQBYYBLCRL-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC2CCC2)cc1 ZINC001176626578 1098395200 /nfs/dbraw/zinc/39/52/00/1098395200.db2.gz DFKOCZXIJGPXLJ-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN CC(C)CCC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001233695848 1098410672 /nfs/dbraw/zinc/41/06/72/1098410672.db2.gz IWQAUYXZAKDKPI-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001233780275 1098429810 /nfs/dbraw/zinc/42/98/10/1098429810.db2.gz JTSNTEXZXRITPD-PKOBYXMFSA-N 0 3 324.509 3.041 20 30 DGEDHN C#C[C@@H]1CCCCN1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC001176832738 1098441613 /nfs/dbraw/zinc/44/16/13/1098441613.db2.gz GVVLVXWEQWHBPP-HUUCEWRRSA-N 0 3 311.347 3.097 20 30 DGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001176798457 1098443364 /nfs/dbraw/zinc/44/33/64/1098443364.db2.gz PMZMRGNJMVSXQX-CYBMUJFWSA-N 0 3 305.378 3.210 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1CC ZINC001233857336 1098444068 /nfs/dbraw/zinc/44/40/68/1098444068.db2.gz QOTPHUYRYFSYKB-MRXNPFEDSA-N 0 3 320.481 3.020 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCOCC1 ZINC001233937089 1098461955 /nfs/dbraw/zinc/46/19/55/1098461955.db2.gz LDTSJKWGFYIAFO-QZTJIDSGSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001233937999 1098462879 /nfs/dbraw/zinc/46/28/79/1098462879.db2.gz SDUAIFRQYYLTTM-HNNXBMFYSA-N 0 3 321.490 3.344 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CCCC1CCCC1 ZINC001233965289 1098468260 /nfs/dbraw/zinc/46/82/60/1098468260.db2.gz AIQOXMSQVLMNPI-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]1C ZINC001177201609 1098488744 /nfs/dbraw/zinc/48/87/44/1098488744.db2.gz UMUFGYGANNHHCG-CJNGLKHVSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]1C ZINC001177201613 1098488947 /nfs/dbraw/zinc/48/89/47/1098488947.db2.gz UMUFGYGANNHHCG-XJKSGUPXSA-N 0 3 312.885 3.393 20 30 DGEDHN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc([O-])cc(C#N)c1 ZINC001234147124 1098504918 /nfs/dbraw/zinc/50/49/18/1098504918.db2.gz MGKYGXWIJWOWEY-LIRRHRJNSA-N 0 3 308.381 3.163 20 30 DGEDHN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cc([O-])cc(C#N)c1 ZINC001234147124 1098504920 /nfs/dbraw/zinc/50/49/20/1098504920.db2.gz MGKYGXWIJWOWEY-LIRRHRJNSA-N 0 3 308.381 3.163 20 30 DGEDHN CC[C@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195799 1098511591 /nfs/dbraw/zinc/51/15/91/1098511591.db2.gz NQUCMQXMHNOAOB-RBUKOAKNSA-N 0 3 310.441 3.084 20 30 DGEDHN CN(C[C@H]1CCN1CCCC1CCC1)C(=O)C#CC(C)(C)C ZINC001234216351 1098516250 /nfs/dbraw/zinc/51/62/50/1098516250.db2.gz VZCNLYMZXSIQAL-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001234267067 1098524492 /nfs/dbraw/zinc/52/44/92/1098524492.db2.gz VWDZVBTXRAJSGU-AWEZNQCLSA-N 0 3 319.449 3.085 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H]1CNCc1cc2ccccc2o1 ZINC001277844346 1098528829 /nfs/dbraw/zinc/52/88/29/1098528829.db2.gz CMTKCELGDBMHAH-KRWDZBQOSA-N 0 3 324.424 3.173 20 30 DGEDHN CCN1CCC[C@@H](Oc2ccc(/C=C\C(C)=O)cc2OC)C1 ZINC001234339783 1098539752 /nfs/dbraw/zinc/53/97/52/1098539752.db2.gz RAFQLORJWOCSSP-XITLMJRVSA-N 0 3 303.402 3.161 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234345070 1098541115 /nfs/dbraw/zinc/54/11/15/1098541115.db2.gz GTAMQCGIHKDYIH-MSOLQXFVSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001234425613 1098553065 /nfs/dbraw/zinc/55/30/65/1098553065.db2.gz ONIASJVEUYWZEW-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001177662793 1098572861 /nfs/dbraw/zinc/57/28/61/1098572861.db2.gz DZGFCIXCNAUWAH-INIZCTEOSA-N 0 3 324.852 3.001 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(CCc2ccccc2)CC1 ZINC001177652815 1098580505 /nfs/dbraw/zinc/58/05/05/1098580505.db2.gz TXWYPNIGJDISJW-UHFFFAOYSA-N 0 3 320.864 3.248 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001234624913 1098622403 /nfs/dbraw/zinc/62/24/03/1098622403.db2.gz IAAWPEJIPXDQTQ-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccccn2)no1 ZINC001177903238 1098643462 /nfs/dbraw/zinc/64/34/62/1098643462.db2.gz GHGNWSSEAKINPM-NSHDSACASA-N 0 3 324.365 3.119 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nccc2cnccc21 ZINC001177904971 1098643783 /nfs/dbraw/zinc/64/37/83/1098643783.db2.gz UMVMYACIEJTJBV-LBPRGKRZSA-N 0 3 308.366 3.012 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001110214281 1098646585 /nfs/dbraw/zinc/64/65/85/1098646585.db2.gz CCNLBPZCZFURNF-YRXWBPOGSA-N 0 3 312.457 3.478 20 30 DGEDHN N#Cc1ccccc1CN1CC[C@H](Oc2ccccc2C=NO)C1 ZINC001234820016 1098670714 /nfs/dbraw/zinc/67/07/14/1098670714.db2.gz RCHIELNUOAJJPY-SFHVURJKSA-N 0 3 321.380 3.020 20 30 DGEDHN N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234820016 1098670719 /nfs/dbraw/zinc/67/07/19/1098670719.db2.gz RCHIELNUOAJJPY-SFHVURJKSA-N 0 3 321.380 3.020 20 30 DGEDHN N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234820016 1098670723 /nfs/dbraw/zinc/67/07/23/1098670723.db2.gz RCHIELNUOAJJPY-SFHVURJKSA-N 0 3 321.380 3.020 20 30 DGEDHN C#CCCCC(=O)NCCCCCCNCc1nc(C)cs1 ZINC001178328001 1098796462 /nfs/dbraw/zinc/79/64/62/1098796462.db2.gz VHNCTHUVQJSHBZ-UHFFFAOYSA-N 0 3 321.490 3.021 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)/C=C/c1c[nH]c2cc(C)ccc12 ZINC001178496347 1098835094 /nfs/dbraw/zinc/83/50/94/1098835094.db2.gz TURDAMKDYLFYER-LKUPDRCFSA-N 0 3 323.440 3.256 20 30 DGEDHN CCC(=CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C)CC ZINC001178477155 1098846339 /nfs/dbraw/zinc/84/63/39/1098846339.db2.gz DHLAHOZXFZODNH-PXNSSMCTSA-N 0 3 324.468 3.364 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCCCC=C)CCC1 ZINC001235208682 1098878402 /nfs/dbraw/zinc/87/84/02/1098878402.db2.gz FMGPFZDYSRWQEZ-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCCCC)CCC1 ZINC001235228134 1098900907 /nfs/dbraw/zinc/90/09/07/1098900907.db2.gz VGOZBDBUEISDOP-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235229246 1098902270 /nfs/dbraw/zinc/90/22/70/1098902270.db2.gz ZGXUJQRGIOGQDI-ZIAGYGMSSA-N 0 3 302.409 3.167 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CC(C1CCC1)C1CCC1 ZINC001277937834 1098958905 /nfs/dbraw/zinc/95/89/05/1098958905.db2.gz JFDDOEMJESJTFP-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C[C@@H](C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C)C1CCC1 ZINC001178973444 1098985326 /nfs/dbraw/zinc/98/53/26/1098985326.db2.gz MZQLZVWMZFRLQT-UWVAXJGDSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001235375882 1098985931 /nfs/dbraw/zinc/98/59/31/1098985931.db2.gz LYZLXASZAUKDNL-JTGQJZMRSA-N 0 3 315.461 3.177 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179212200 1099037653 /nfs/dbraw/zinc/03/76/53/1099037653.db2.gz IBWNUCVTXVUYNJ-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C/c1cccc(F)c1 ZINC001235471630 1099055273 /nfs/dbraw/zinc/05/52/73/1099055273.db2.gz OGFGTPKKMCFAIO-IWHGQQBYSA-N 0 3 316.420 3.338 20 30 DGEDHN COC(=O)c1cccc(CN(C)Cc2ccccc2CC#N)c1 ZINC001235525010 1099075623 /nfs/dbraw/zinc/07/56/23/1099075623.db2.gz IZSFGWKKFPQJFS-UHFFFAOYSA-N 0 3 308.381 3.171 20 30 DGEDHN Cc1cccc(O[C@@H]2CCN(Cc3ccccc3CC#N)C2)n1 ZINC001235529342 1099078454 /nfs/dbraw/zinc/07/84/54/1099078454.db2.gz YVOINVPMRHNDFP-GOSISDBHSA-N 0 3 307.397 3.109 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001179384713 1099088332 /nfs/dbraw/zinc/08/83/32/1099088332.db2.gz UWTLVPRXQVLGGU-KKUMJFAQSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCCCC(=O)NCCCCCCNCc1cc(C)no1 ZINC001179422669 1099100783 /nfs/dbraw/zinc/10/07/83/1099100783.db2.gz YSPHBYGMBRMPEG-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN C=CC(C)(C)CCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001179515886 1099116846 /nfs/dbraw/zinc/11/68/46/1099116846.db2.gz JPZNCOMZSWQDBI-UHFFFAOYSA-N 0 3 308.378 3.391 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C/c1ccccc1F ZINC001235799772 1099186115 /nfs/dbraw/zinc/18/61/15/1099186115.db2.gz WXXUIHXIQFTJBL-UGAXZCSASA-N 0 3 316.420 3.338 20 30 DGEDHN C[C@H](C#N)C(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001179895895 1099225627 /nfs/dbraw/zinc/22/56/27/1099225627.db2.gz VKBFXPAQPPWXPW-PBHICJAKSA-N 0 3 319.408 3.362 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C/c1ccc(C)cc1)C2 ZINC001110233831 1099278713 /nfs/dbraw/zinc/27/87/13/1099278713.db2.gz UZARBPGAZAHTPT-UOUNDWCUSA-N 0 3 322.452 3.143 20 30 DGEDHN Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)nc(C#N)n1 ZINC001236230389 1099485905 /nfs/dbraw/zinc/48/59/05/1099485905.db2.gz AVCZRBJMZZKILO-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001180846607 1099509620 /nfs/dbraw/zinc/50/96/20/1099509620.db2.gz PSJLLNXDJOKPCA-RQRQYGNQSA-N 0 3 319.276 3.346 20 30 DGEDHN CCCCCCC/C=C/CN1CCC[C@H]([C@@H](N)C(=O)OC)C1 ZINC001236273906 1099514612 /nfs/dbraw/zinc/51/46/12/1099514612.db2.gz KVWXRFPZKKEKEA-YXWZHEERSA-N 0 3 310.482 3.115 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001187993575 1099653175 /nfs/dbraw/zinc/65/31/75/1099653175.db2.gz BXIXRTVRNYBKEP-PLFKGVGGSA-N 0 3 318.848 3.289 20 30 DGEDHN CCCCCCCCS(=O)(=O)N1CC[C@H](N(CC)CC)C1 ZINC001188011333 1099664002 /nfs/dbraw/zinc/66/40/02/1099664002.db2.gz YVIDKDLOJWREHH-INIZCTEOSA-N 0 3 318.527 3.093 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001189281122 1099998327 /nfs/dbraw/zinc/99/83/27/1099998327.db2.gz YJCCMVIDWMMNCR-INIZCTEOSA-N 0 3 312.413 3.432 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001189278764 1099998845 /nfs/dbraw/zinc/99/88/45/1099998845.db2.gz BNUXUTRYUOFDEL-QGZVFWFLSA-N 0 3 304.409 3.133 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N(C)[C@H]2CCN(C)C2)c1 ZINC001189264009 1100010097 /nfs/dbraw/zinc/01/00/97/1100010097.db2.gz PKJGRZVDYIOUFB-KRWDZBQOSA-N 0 3 315.461 3.300 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2cc(C)sc2C)C1 ZINC001189268610 1100011924 /nfs/dbraw/zinc/01/19/24/1100011924.db2.gz CRBKVYMBAKNKGI-INIZCTEOSA-N 0 3 306.475 3.364 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001189323993 1100025523 /nfs/dbraw/zinc/02/55/23/1100025523.db2.gz DIJXQCAMGHJOBR-NZSAHSFTSA-N 0 3 312.457 3.289 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CCNc4ccccc43)CC2)nc1 ZINC001237321008 1100076457 /nfs/dbraw/zinc/07/64/57/1100076457.db2.gz QCSHXSBJGUYTAQ-UHFFFAOYSA-N 0 3 318.424 3.303 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1ccc(F)cc1 ZINC001273589052 1100147253 /nfs/dbraw/zinc/14/72/53/1100147253.db2.gz YHXCFWUVAUEVFJ-GOSISDBHSA-N 0 3 306.425 3.366 20 30 DGEDHN CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076368 1100203119 /nfs/dbraw/zinc/20/31/19/1100203119.db2.gz OXOTZDQFSULIQA-SCEWNMGZSA-N 0 3 324.468 3.282 20 30 DGEDHN C#CCN(C(=O)CCC=C)C1CCN(Cc2ccccc2)CC1 ZINC001278127862 1100206431 /nfs/dbraw/zinc/20/64/31/1100206431.db2.gz CDBLINYZSSVBSS-UHFFFAOYSA-N 0 3 310.441 3.079 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001273607618 1100340027 /nfs/dbraw/zinc/34/00/27/1100340027.db2.gz POVADILOKFQQDP-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN CC(C)Oc1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001238439746 1100445554 /nfs/dbraw/zinc/44/55/54/1100445554.db2.gz AVBVOEDSZRYNOR-MRXNPFEDSA-N 0 3 321.417 3.387 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC2(C1)CCCCCC2 ZINC001191350996 1100449610 /nfs/dbraw/zinc/44/96/10/1100449610.db2.gz UZGSPOIBEMMVIE-QGZVFWFLSA-N 0 3 319.493 3.431 20 30 DGEDHN Cc1ccc(Cl)c(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001191684338 1100505253 /nfs/dbraw/zinc/50/52/53/1100505253.db2.gz MFSDMJJCOUHQRS-CYBMUJFWSA-N 0 3 322.817 3.454 20 30 DGEDHN CCc1cc(CN2CCC[C@H](c3nnc(C)o3)C2)ccc1C#N ZINC001238769804 1100524516 /nfs/dbraw/zinc/52/45/16/1100524516.db2.gz VCUKOBVPGGXXSM-KRWDZBQOSA-N 0 3 310.401 3.192 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238769188 1100524725 /nfs/dbraw/zinc/52/47/25/1100524725.db2.gz PRWZVTXUWZBDGL-LJQANCHMSA-N 0 3 314.429 3.286 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1c(C)nsc1C ZINC001273628531 1100546881 /nfs/dbraw/zinc/54/68/81/1100546881.db2.gz KIDMBBIEMQIWAF-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN N#Cc1c2c(sc1NC(=O)NC1CCCCCC1)CNCC2 ZINC001239182611 1100590740 /nfs/dbraw/zinc/59/07/40/1100590740.db2.gz QIYQPAGIOVAPJT-UHFFFAOYSA-N 0 3 318.446 3.110 20 30 DGEDHN Cc1ccc(OC(=O)Nc2sc3c(c2C#N)CCNC3)cc1 ZINC001239310944 1100627675 /nfs/dbraw/zinc/62/76/75/1100627675.db2.gz AQLVOXCNPJGSDE-UHFFFAOYSA-N 0 3 313.382 3.185 20 30 DGEDHN CCCCCCCCCCNC(=S)N[C@@H]1CCNC[C@@H]1F ZINC001239360003 1100643452 /nfs/dbraw/zinc/64/34/52/1100643452.db2.gz VWCVMCBVSBVGNA-LSDHHAIUSA-N 0 3 317.518 3.291 20 30 DGEDHN COc1ccccc1C1(NC[C@H](O)c2cccc(C#N)c2)CCC1 ZINC001192823669 1100666986 /nfs/dbraw/zinc/66/69/86/1100666986.db2.gz LLKHEFPZRKLMRH-SFHVURJKSA-N 0 3 322.408 3.269 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@@H](N(C)CCOCC)C2)CCCCC1 ZINC001192825843 1100667013 /nfs/dbraw/zinc/66/70/13/1100667013.db2.gz LVZXLGLDESNRQL-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN Cc1ccccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001239502126 1100679197 /nfs/dbraw/zinc/67/91/97/1100679197.db2.gz ZUKWNYCUQTZMKK-CQSZACIVSA-N 0 3 309.369 3.401 20 30 DGEDHN C#CCCCCCCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001194107353 1100866851 /nfs/dbraw/zinc/86/68/51/1100866851.db2.gz IMVNSYNTTOGNBN-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCCC2CC2)C12CCC2 ZINC001203296625 1100906507 /nfs/dbraw/zinc/90/65/07/1100906507.db2.gz TUHNMJWDCYCFSK-CABCVRRESA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCOC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC001194311945 1100910374 /nfs/dbraw/zinc/91/03/74/1100910374.db2.gz YGAHIEFFMZKTOC-UHFFFAOYSA-N 0 3 306.381 3.045 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CCN(CC(C)C)C3=O)CC2)cc1 ZINC001273674354 1100914835 /nfs/dbraw/zinc/91/48/35/1100914835.db2.gz RGZPOVDTVHGPQO-UHFFFAOYSA-N 0 3 324.468 3.138 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(CCc3ccccc3)CC2)C1 ZINC001194629981 1100976958 /nfs/dbraw/zinc/97/69/58/1100976958.db2.gz UMPBGGZICKJELJ-SFHVURJKSA-N 0 3 312.457 3.118 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cccc(CC#N)c3)cc2)CC1 ZINC001240402517 1100979452 /nfs/dbraw/zinc/97/94/52/1100979452.db2.gz ONJZAXZKGFQZML-UHFFFAOYSA-N 0 3 305.425 3.167 20 30 DGEDHN Cc1cc(-c2ccc(CN3CCN(C)CC3)cc2)ccc1CC#N ZINC001240408008 1100982282 /nfs/dbraw/zinc/98/22/82/1100982282.db2.gz BHFIJUJMSSNJIA-UHFFFAOYSA-N 0 3 319.452 3.476 20 30 DGEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001195271598 1101108650 /nfs/dbraw/zinc/10/86/50/1101108650.db2.gz NRRLWVRXLUBLLI-RCCFBDPRSA-N 0 3 324.509 3.111 20 30 DGEDHN C#CCCCCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001195555999 1101153781 /nfs/dbraw/zinc/15/37/81/1101153781.db2.gz PSWDEVNLDXUIPJ-FQEVSTJZSA-N 0 3 324.468 3.402 20 30 DGEDHN C#CCCCCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001195540764 1101155775 /nfs/dbraw/zinc/15/57/75/1101155775.db2.gz GZEQLGJVHMONFZ-UHFFFAOYSA-N 0 3 312.457 3.223 20 30 DGEDHN C#CCCCCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195541453 1101155996 /nfs/dbraw/zinc/15/59/96/1101155996.db2.gz VBYVGIIZYATZMR-UHFFFAOYSA-N 0 3 302.462 3.215 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCCN(CCCC2CCC2)CC1 ZINC001195785469 1101200982 /nfs/dbraw/zinc/20/09/82/1101200982.db2.gz MMDVDGULLIRLQM-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCCN(CCC)CC1 ZINC001196178069 1101264265 /nfs/dbraw/zinc/26/42/65/1101264265.db2.gz WWFNMHVWQVSLQH-UHFFFAOYSA-N 0 3 312.498 3.308 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC001196481366 1101314003 /nfs/dbraw/zinc/31/40/03/1101314003.db2.gz XQVWOEATUPDXRL-UHFFFAOYSA-N 0 3 319.449 3.086 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cc(C)co2)CC1 ZINC001196832070 1101402968 /nfs/dbraw/zinc/40/29/68/1101402968.db2.gz VZCKDVNUOYMIFQ-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN CC#CCCCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001196838924 1101404268 /nfs/dbraw/zinc/40/42/68/1101404268.db2.gz MRNSOAADBCSXPX-UHFFFAOYSA-N 0 3 312.457 3.223 20 30 DGEDHN CCc1cncc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001241373030 1101412835 /nfs/dbraw/zinc/41/28/35/1101412835.db2.gz JZAMSHUZFWLNNV-CQSZACIVSA-N 0 3 324.384 3.050 20 30 DGEDHN C=C1CCC(C(=O)N2CCCN(CCCCCOC)CC2)CC1 ZINC001197055213 1101459410 /nfs/dbraw/zinc/45/94/10/1101459410.db2.gz NJFHUCRQONGQAW-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN COc1cc(C#N)nc(C2=CCN(Cc3ccccc3)CC2)c1 ZINC001241502039 1101516060 /nfs/dbraw/zinc/51/60/60/1101516060.db2.gz MWNFTYNVRHQOIN-UHFFFAOYSA-N 0 3 305.381 3.251 20 30 DGEDHN Cc1cscc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001241728629 1101664070 /nfs/dbraw/zinc/66/40/70/1101664070.db2.gz XATKKMNDAZVTNX-NSHDSACASA-N 0 3 315.398 3.462 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001278335185 1101675454 /nfs/dbraw/zinc/67/54/54/1101675454.db2.gz HXQNTNCBRCFLEH-ICSRJNTNSA-N 0 3 316.489 3.317 20 30 DGEDHN CCN1CCN(c2ccc(-c3cccc(/C=N/O)c3)cc2)CC1 ZINC001241744660 1101676667 /nfs/dbraw/zinc/67/66/67/1101676667.db2.gz ZHWCGQJPJUENOO-HMMYKYKNSA-N 0 3 309.413 3.304 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC001197899006 1101692499 /nfs/dbraw/zinc/69/24/99/1101692499.db2.gz NLXUJLFJPSRKON-UHFFFAOYSA-N 0 3 319.474 3.135 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC001197934139 1101705696 /nfs/dbraw/zinc/70/56/96/1101705696.db2.gz LSPQQNKGKVPAKG-UHFFFAOYSA-N 0 3 308.372 3.079 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC001197995668 1101734614 /nfs/dbraw/zinc/73/46/14/1101734614.db2.gz RPBYYUOJJXDZET-UHFFFAOYSA-N 0 3 312.360 3.331 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCCCCC)C1 ZINC001198329186 1101820619 /nfs/dbraw/zinc/82/06/19/1101820619.db2.gz SQQLMLOFJPJTER-IAGOWNOFSA-N 0 3 312.498 3.089 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1cccc2nsnc21 ZINC001198414243 1101848437 /nfs/dbraw/zinc/84/84/37/1101848437.db2.gz IZPCIWWRCDCEPZ-GFCCVEGCSA-N 0 3 316.430 3.060 20 30 DGEDHN C=CCC[C@@H](C)N[C@H](CNC(=O)CC)c1ccccc1OC ZINC001198444582 1101870862 /nfs/dbraw/zinc/87/08/62/1101870862.db2.gz SDDUWRFIFJEPHR-GDBMZVCRSA-N 0 3 304.434 3.207 20 30 DGEDHN C=CCC[C@H](C)N[C@H](CNC(=O)C1CC1)c1ccccc1OC ZINC001198472403 1101872327 /nfs/dbraw/zinc/87/23/27/1101872327.db2.gz PVWBGXOJRSSIOJ-WMLDXEAASA-N 0 3 316.445 3.207 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1OC ZINC001198648438 1101940707 /nfs/dbraw/zinc/94/07/07/1101940707.db2.gz VLGHMISEYQAIHK-YOEHRIQHSA-N 0 3 316.445 3.064 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)/C(C)=C\C)c1ccccc1OC ZINC001198647068 1101942088 /nfs/dbraw/zinc/94/20/88/1101942088.db2.gz ITCPVTWYPUMDHQ-GQMMIMOESA-N 0 3 316.445 3.375 20 30 DGEDHN N#Cc1ccc(CNC2([C@@H]3CCCO3)CCC2)c(OC(F)F)c1 ZINC001198705238 1101967741 /nfs/dbraw/zinc/96/77/41/1101967741.db2.gz HLORFFATPMXEMB-HNNXBMFYSA-N 0 3 322.355 3.351 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCCCF)c1ccccc1OC ZINC001198752655 1101977578 /nfs/dbraw/zinc/97/75/78/1101977578.db2.gz SIGRYXVPHDRCFU-MRXNPFEDSA-N 0 3 322.424 3.158 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198826257 1101985625 /nfs/dbraw/zinc/98/56/25/1101985625.db2.gz HRKZXXLINIBUDK-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1OC ZINC001198842247 1102011610 /nfs/dbraw/zinc/01/16/10/1102011610.db2.gz FIVWACHBPZSGKN-OIISXLGYSA-N 0 3 316.445 3.064 20 30 DGEDHN Cc1ccccc1[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110534184 1102148140 /nfs/dbraw/zinc/14/81/40/1102148140.db2.gz UCBQTWJWHPTRTN-CUDHKJQZSA-N 0 3 324.468 3.437 20 30 DGEDHN Cc1cc(C#N)ccc1-c1cc(OC2CCN(C)CC2)ccn1 ZINC001242474006 1102154979 /nfs/dbraw/zinc/15/49/79/1102154979.db2.gz JZLHENHWHXRPNT-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)c1ccccc1 ZINC001110538068 1102171318 /nfs/dbraw/zinc/17/13/18/1102171318.db2.gz LSUVGKJDJUJTRH-AITUJVMLSA-N 0 3 310.441 3.129 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN([C@@H](C)COC)C2)CCCCC1 ZINC001494877151 1102303990 /nfs/dbraw/zinc/30/39/90/1102303990.db2.gz UDNVSOPMYOJJPE-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152723725 1102325279 /nfs/dbraw/zinc/32/52/79/1102325279.db2.gz RHZXXKHGDKKEEL-CQSZACIVSA-N 0 3 317.408 3.148 20 30 DGEDHN Cc1cc(-c2cncc([C@@H]3CN4CCC3CC4)n2)ccc1C#N ZINC001242767082 1102329420 /nfs/dbraw/zinc/32/94/20/1102329420.db2.gz DLMQZKGBCIIXNJ-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN Cc1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)ccc1C#N ZINC001242767260 1102330100 /nfs/dbraw/zinc/33/01/00/1102330100.db2.gz NGIKQSBXNWRRHV-UHFFFAOYSA-N 0 3 320.440 3.459 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)CC(C)(C)C)C2 ZINC001273848813 1102377893 /nfs/dbraw/zinc/37/78/93/1102377893.db2.gz MIWKAMKXUKPJMD-HXUWFJFHSA-N 0 3 318.505 3.397 20 30 DGEDHN CCc1ccccc1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001201141749 1102498414 /nfs/dbraw/zinc/49/84/14/1102498414.db2.gz UHRJKUJNEKJLQL-AWEZNQCLSA-N 0 3 318.467 3.220 20 30 DGEDHN CCCCCCCN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001201761375 1102721073 /nfs/dbraw/zinc/72/10/73/1102721073.db2.gz BUJKUAZPALGLPO-LJQANCHMSA-N 0 3 304.478 3.136 20 30 DGEDHN CCCCCCCN1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001201776992 1102733651 /nfs/dbraw/zinc/73/36/51/1102733651.db2.gz RNXSXDXOFLITSI-UHFFFAOYSA-N 0 3 315.461 3.200 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001201960116 1102771996 /nfs/dbraw/zinc/77/19/96/1102771996.db2.gz UBBZUENIRRSNRH-PKNBQFBNSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001276299678 1103023043 /nfs/dbraw/zinc/02/30/43/1103023043.db2.gz MBAMVWFECHHOCR-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC001325708831 1103105812 /nfs/dbraw/zinc/10/58/12/1103105812.db2.gz WHJYHSMUJHVOEY-IBGZPJMESA-N 0 3 324.468 3.208 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)c1ccco1 ZINC001325702911 1103105999 /nfs/dbraw/zinc/10/59/99/1103105999.db2.gz ULZMXDMTVIQTSU-QGZVFWFLSA-N 0 3 324.424 3.025 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001488684388 1103106579 /nfs/dbraw/zinc/10/65/79/1103106579.db2.gz ZGEWUSQVYYFDDW-KGLIPLIRSA-N 0 3 320.399 3.464 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nocc1C)C2 ZINC001111234510 1103109942 /nfs/dbraw/zinc/10/99/42/1103109942.db2.gz JUXQDYURBQKPGA-OAGGEKHMSA-N 0 3 319.449 3.289 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc2ccccc2c1 ZINC001488691751 1103112352 /nfs/dbraw/zinc/11/23/52/1103112352.db2.gz UFIQUIMYMZJVLE-FQEVSTJZSA-N 0 3 322.452 3.491 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC1CCCCC1 ZINC001325916343 1103161835 /nfs/dbraw/zinc/16/18/35/1103161835.db2.gz ICVNXENJNNKEBJ-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN COc1cc(CNc2c(C)cnc3ccccc32)ccc1C#N ZINC001325951299 1103170456 /nfs/dbraw/zinc/17/04/56/1103170456.db2.gz HXBMCGUAAMYWES-UHFFFAOYSA-N 0 3 303.365 3.458 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001326418480 1103309082 /nfs/dbraw/zinc/30/90/82/1103309082.db2.gz JFKLGFPRNKGYII-LBPRGKRZSA-N 0 3 322.827 3.249 20 30 DGEDHN CC#CCCCC(=O)NCc1ccc([C@H](C)NCC#CC)cc1 ZINC001326480358 1103333765 /nfs/dbraw/zinc/33/37/65/1103333765.db2.gz LYTZREUCXROSOT-KRWDZBQOSA-N 0 3 310.441 3.170 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)Cc2ccccc2C)[C@H]1C ZINC001489302207 1103348346 /nfs/dbraw/zinc/34/83/46/1103348346.db2.gz ZCLWLNOSYFYFGA-AOIWGVFYSA-N 0 3 314.473 3.329 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cccc(Cl)c1 ZINC001489327919 1103361274 /nfs/dbraw/zinc/36/12/74/1103361274.db2.gz MIOOIFWJZXDESA-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCCCC(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114753622 1103426180 /nfs/dbraw/zinc/42/61/80/1103426180.db2.gz ZELUQJSRHUVLSC-COMLJPOISA-N 0 3 310.441 3.103 20 30 DGEDHN Cc1ccc(-c2cncc([C@H]3CN4CCC3CC4)n2)cc1C#N ZINC001244481973 1103471466 /nfs/dbraw/zinc/47/14/66/1103471466.db2.gz ICMRTOGLZLTOOS-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001490213869 1103503306 /nfs/dbraw/zinc/50/33/06/1103503306.db2.gz XTAWOMYMJRWDEB-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC001327162247 1103562572 /nfs/dbraw/zinc/56/25/72/1103562572.db2.gz IBUFZBLCFJIKMQ-MOPGFXCFSA-N 0 3 312.457 3.174 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(Cl)s1)C1CC1 ZINC001490394492 1103590509 /nfs/dbraw/zinc/59/05/09/1103590509.db2.gz WOQSGMYGDGXVMR-UHFFFAOYSA-N 0 3 310.850 3.009 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@H]1CCCc2ccccc21)C1CC1 ZINC001490391178 1103591485 /nfs/dbraw/zinc/59/14/85/1103591485.db2.gz FJNNNPNJCBXJDZ-GOSISDBHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001327257978 1103604017 /nfs/dbraw/zinc/60/40/17/1103604017.db2.gz LSEUSVBFTGXWCM-IBGZPJMESA-N 0 3 317.477 3.273 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001490442619 1103604872 /nfs/dbraw/zinc/60/48/72/1103604872.db2.gz CIQVVHOXOZKXID-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001490450541 1103609669 /nfs/dbraw/zinc/60/96/69/1103609669.db2.gz MMOPEHYODNXJLK-ZWKOTPCHSA-N 0 3 312.457 3.093 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C/C=C(\C)C=C)C1 ZINC001327309583 1103620193 /nfs/dbraw/zinc/62/01/93/1103620193.db2.gz WIJPHIBJYCTOSK-GFLCFMILSA-N 0 3 314.473 3.235 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC1CCCCC1)C(C)C ZINC001114922871 1103637795 /nfs/dbraw/zinc/63/77/95/1103637795.db2.gz ZEVBXRGCVOACHZ-YRXWBPOGSA-N 0 3 318.505 3.461 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001114922868 1103637880 /nfs/dbraw/zinc/63/78/80/1103637880.db2.gz ZEVBXRGCVOACHZ-INDMIFKZSA-N 0 3 318.505 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001490554130 1103652134 /nfs/dbraw/zinc/65/21/34/1103652134.db2.gz ILZOOOWKJKNXNB-MRXNPFEDSA-N 0 3 311.429 3.071 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](CC)CCCC)CC1 ZINC001490596696 1103674145 /nfs/dbraw/zinc/67/41/45/1103674145.db2.gz AYVAYIHDFHBHSL-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC001490606502 1103677091 /nfs/dbraw/zinc/67/70/91/1103677091.db2.gz TXBGFZGCTXMDLX-IEBWSBKVSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(CC(C)C)CC(C)C)CC1 ZINC001490606865 1103679391 /nfs/dbraw/zinc/67/93/91/1103679391.db2.gz AZYHXWHWLWOFHT-GOSISDBHSA-N 0 3 318.505 3.299 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC001490623156 1103683707 /nfs/dbraw/zinc/68/37/07/1103683707.db2.gz JPMXKXLKLJUYIG-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C[C@H](C)SC)cc2C1 ZINC001327686055 1103706838 /nfs/dbraw/zinc/70/68/38/1103706838.db2.gz VRKPZINJVPYKIQ-AWEZNQCLSA-N 0 3 318.486 3.336 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001490699383 1103710326 /nfs/dbraw/zinc/71/03/26/1103710326.db2.gz MWLNSANIFPTGQX-PXNSSMCTSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)cc(C)cc1C)C2 ZINC001095959076 1103713965 /nfs/dbraw/zinc/71/39/65/1103713965.db2.gz CABGFDPITFQASH-NEWSRXKRSA-N 0 3 312.457 3.062 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001095983186 1103721739 /nfs/dbraw/zinc/72/17/39/1103721739.db2.gz UPTIMQWRJHYLCT-QYZOEREBSA-N 0 3 324.468 3.307 20 30 DGEDHN C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490751503 1103722779 /nfs/dbraw/zinc/72/27/79/1103722779.db2.gz LGBYTBQSUWQHFD-MRXNPFEDSA-N 0 3 316.445 3.142 20 30 DGEDHN C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490751503 1103722792 /nfs/dbraw/zinc/72/27/92/1103722792.db2.gz LGBYTBQSUWQHFD-MRXNPFEDSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C\Cc1ccccc1)C2 ZINC001110688504 1103790197 /nfs/dbraw/zinc/79/01/97/1103790197.db2.gz NYMPRHMYVPNNAK-VJQBDMSCSA-N 0 3 324.468 3.473 20 30 DGEDHN C=CCOC[C@@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC001252450714 1103791658 /nfs/dbraw/zinc/79/16/58/1103791658.db2.gz GLVUPVCSLFNRCS-PWSUYJOCSA-N 0 3 304.217 3.208 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(C)(NCc2cnc(C)o2)CC1 ZINC001327990414 1103795449 /nfs/dbraw/zinc/79/54/49/1103795449.db2.gz BYFVGGBWATXYNS-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccc(C)cc1)C2 ZINC001096374306 1103813417 /nfs/dbraw/zinc/81/34/17/1103813417.db2.gz SQWRJKMWWDPPLR-NQYYFHDYSA-N 0 3 312.457 3.396 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001096499430 1103851821 /nfs/dbraw/zinc/85/18/21/1103851821.db2.gz DHLWLJYCWUGFNT-QYZOEREBSA-N 0 3 312.457 3.144 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001114348770 1103872883 /nfs/dbraw/zinc/87/28/83/1103872883.db2.gz PWYDJJQPABDFRW-NHAGDIPZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001096591349 1103877406 /nfs/dbraw/zinc/87/74/06/1103877406.db2.gz PGFAJSMVTNCSDL-VUHPKUFZSA-N 0 3 302.462 3.421 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001490799600 1103897374 /nfs/dbraw/zinc/89/73/74/1103897374.db2.gz HCHRLVMKOUJOTG-FFHOCLHESA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001490808957 1103900050 /nfs/dbraw/zinc/90/00/50/1103900050.db2.gz KEXGSGMGLMYBFC-CALCHBBNSA-N 0 3 315.461 3.358 20 30 DGEDHN N#Cc1ccc(C2=CC[C@@H](N3CCOCC3)CC2)c2cc[nH]c21 ZINC001245427460 1104047722 /nfs/dbraw/zinc/04/77/22/1104047722.db2.gz PBAAHKAXSMGHJB-MRXNPFEDSA-N 0 3 307.397 3.308 20 30 DGEDHN N#CCCOc1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245428834 1104050001 /nfs/dbraw/zinc/05/00/01/1104050001.db2.gz WENHTUFEBXKYPF-SFHVURJKSA-N 0 3 312.413 3.247 20 30 DGEDHN C=C1CCC(C(=O)N2CCC[C@@H]2CN(C)CCOC(C)C)CC1 ZINC001328764277 1104060194 /nfs/dbraw/zinc/06/01/94/1104060194.db2.gz KAJXCIHGCLULBZ-GOSISDBHSA-N 0 3 322.493 3.081 20 30 DGEDHN N#Cc1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cc1 ZINC001245496873 1104087142 /nfs/dbraw/zinc/08/71/42/1104087142.db2.gz IPYPVFFSCAYGHI-IBGZPJMESA-N 0 3 303.365 3.139 20 30 DGEDHN C=CCOC(=O)N1CCC2(CCN(Cc3ccc[nH]3)CC2)CC1 ZINC001204006859 1104100560 /nfs/dbraw/zinc/10/05/60/1104100560.db2.gz MKTKUNIPVYKTBX-UHFFFAOYSA-N 0 3 317.433 3.015 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329048974 1104137067 /nfs/dbraw/zinc/13/70/67/1104137067.db2.gz NUXGMBSNHPIPAM-ROUUACIJSA-N 0 3 324.468 3.289 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1ccc(F)cc1Br ZINC001329068460 1104142880 /nfs/dbraw/zinc/14/28/80/1104142880.db2.gz VBQQXQRCDMLMBI-ZDUSSCGKSA-N 0 3 314.198 3.106 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cc(F)ccc1OC ZINC001329103520 1104152597 /nfs/dbraw/zinc/15/25/97/1104152597.db2.gz LJVKPNNRJQECGW-CHWSQXEVSA-N 0 3 322.424 3.029 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001278414822 1104204290 /nfs/dbraw/zinc/20/42/90/1104204290.db2.gz DWCVAVJVWASKTB-VQIMIIECSA-N 0 3 312.457 3.101 20 30 DGEDHN CC(C)(C)C#CC(=O)NC/C=C\CNCc1cccc(Cl)c1 ZINC001274015591 1104221253 /nfs/dbraw/zinc/22/12/53/1104221253.db2.gz JPOOUSXBDAELTQ-PLNGDYQASA-N 0 3 318.848 3.152 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3ccccc3C(C)C)CC2)C1=O ZINC001274216635 1104288323 /nfs/dbraw/zinc/28/83/23/1104288323.db2.gz HSQXMHVOQSSSOE-UHFFFAOYSA-N 0 3 324.468 3.258 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)CCOc1ccccc1 ZINC001329502047 1104288599 /nfs/dbraw/zinc/28/85/99/1104288599.db2.gz VNDNXKBEVRZCHF-INIZCTEOSA-N 0 3 318.461 3.104 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2c(C)cc(F)cc2C)C1=O ZINC001274224271 1104291024 /nfs/dbraw/zinc/29/10/24/1104291024.db2.gz WAQKBGLILLVSIR-IBGZPJMESA-N 0 3 316.420 3.195 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2c(C)cc(F)cc2C)C1=O ZINC001274224272 1104291387 /nfs/dbraw/zinc/29/13/87/1104291387.db2.gz WAQKBGLILLVSIR-LJQANCHMSA-N 0 3 316.420 3.195 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001329538316 1104306939 /nfs/dbraw/zinc/30/69/39/1104306939.db2.gz BMRLQGCGVMTGPF-KDOFPFPSSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)cs1)C2 ZINC001110885268 1104331725 /nfs/dbraw/zinc/33/17/25/1104331725.db2.gz ZEMJPRYGBDMQMB-YUELXQCFSA-N 0 3 320.458 3.058 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001274236487 1104332658 /nfs/dbraw/zinc/33/26/58/1104332658.db2.gz VAIDGKZVGAQWTP-HJWRWDBZSA-N 0 3 304.478 3.124 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2c(C)nsc2C)C1 ZINC001274252213 1104335934 /nfs/dbraw/zinc/33/59/34/1104335934.db2.gz UVKKCKZNRLNUGE-WBMJQRKESA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)cc(Cl)c1 ZINC001274350108 1104359494 /nfs/dbraw/zinc/35/94/94/1104359494.db2.gz NUYVFHDYBYMSIO-IAGOWNOFSA-N 0 3 318.848 3.400 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](CCCC)CNCc1ccc(C#N)s1 ZINC001329875374 1104404179 /nfs/dbraw/zinc/40/41/79/1104404179.db2.gz KGSDGJUORNMMDA-GUVYXZIWSA-N 0 3 319.474 3.351 20 30 DGEDHN CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1C[C@@H]1C ZINC001329887886 1104409360 /nfs/dbraw/zinc/40/93/60/1104409360.db2.gz QBFFSKBYEBRXRK-ZENOOKHLSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCC[C@@H](CC)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274686232 1104456689 /nfs/dbraw/zinc/45/66/89/1104456689.db2.gz LSZBBIIDEJHBJN-IEBWSBKVSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001274773152 1104484948 /nfs/dbraw/zinc/48/49/48/1104484948.db2.gz JFIIORDIMXAMGS-LLVKDONJSA-N 0 3 300.855 3.352 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001274792912 1104498349 /nfs/dbraw/zinc/49/83/49/1104498349.db2.gz UNSLXFSTGGOOJW-YOEHRIQHSA-N 0 3 320.864 3.028 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C2CC2)cc1 ZINC001274816699 1104500592 /nfs/dbraw/zinc/50/05/92/1104500592.db2.gz VEXOUOFLXRHZEN-OAQYLSRUSA-N 0 3 322.452 3.154 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC001274867201 1104527754 /nfs/dbraw/zinc/52/77/54/1104527754.db2.gz BZHJYDCZGHAXCK-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1ccc(F)c(F)c1 ZINC001274978528 1104569212 /nfs/dbraw/zinc/56/92/12/1104569212.db2.gz IKOLLHRWJRHARS-HNNXBMFYSA-N 0 3 322.399 3.402 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001330696401 1104621617 /nfs/dbraw/zinc/62/16/17/1104621617.db2.gz XDVOSOVISUQNDR-QRTARXTBSA-N 0 3 320.864 3.417 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1cccc(C)c1 ZINC001275128510 1104639449 /nfs/dbraw/zinc/63/94/49/1104639449.db2.gz HTROAPWOZJTSMV-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1csc2c1CCCC2 ZINC001275166593 1104661378 /nfs/dbraw/zinc/66/13/78/1104661378.db2.gz BAIUGBCGBORTML-CQSZACIVSA-N 0 3 318.486 3.349 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CC(C)(C)c3ccccc3)CCC[C@H]12 ZINC001278467766 1104697929 /nfs/dbraw/zinc/69/79/29/1104697929.db2.gz UVNHTEWYJURTPQ-RXVVDRJESA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001275331938 1104725979 /nfs/dbraw/zinc/72/59/79/1104725979.db2.gz QFDBAPIXQVTSPW-UHFFFAOYSA-N 0 3 318.848 3.415 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1CC(C)(C)C1 ZINC001275394867 1104745487 /nfs/dbraw/zinc/74/54/87/1104745487.db2.gz SGEDGBRMTNBQMG-RYUDHWBXSA-N 0 3 319.474 3.039 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001275460173 1104766636 /nfs/dbraw/zinc/76/66/36/1104766636.db2.gz JOIMVFXPOXXMOS-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1cc(C)sc1C ZINC001275545046 1104800543 /nfs/dbraw/zinc/80/05/43/1104800543.db2.gz SRYZEFXVXCVTPW-ZDUSSCGKSA-N 0 3 306.475 3.105 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C)cc1 ZINC001275622122 1104835476 /nfs/dbraw/zinc/83/54/76/1104835476.db2.gz LHWJJJYNFSHSJC-QGZVFWFLSA-N 0 3 300.446 3.125 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1nccs1 ZINC001275789923 1104908938 /nfs/dbraw/zinc/90/89/38/1104908938.db2.gz DYTYMVPQKHRCRT-LSDHHAIUSA-N 0 3 321.490 3.264 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001275819681 1104921592 /nfs/dbraw/zinc/92/15/92/1104921592.db2.gz UGMSUWVNQBSCDA-KBXCAEBGSA-N 0 3 316.420 3.053 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001275819684 1104922167 /nfs/dbraw/zinc/92/21/67/1104922167.db2.gz UGMSUWVNQBSCDA-RDTXWAMCSA-N 0 3 316.420 3.053 20 30 DGEDHN CCCCCCCc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247543468 1104922370 /nfs/dbraw/zinc/92/23/70/1104922370.db2.gz SMJQEDRFXVMQOO-UHFFFAOYSA-N 0 3 300.406 3.290 20 30 DGEDHN Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001275827592 1104924073 /nfs/dbraw/zinc/92/40/73/1104924073.db2.gz JVHBOECLTKRZMC-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN CCC1(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)CCC1 ZINC001275905018 1104950670 /nfs/dbraw/zinc/95/06/70/1104950670.db2.gz RNYOANJOVMECAG-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001276017522 1104989191 /nfs/dbraw/zinc/98/91/91/1104989191.db2.gz NKAADPJAIKCMDN-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC001095426549 1105001976 /nfs/dbraw/zinc/00/19/76/1105001976.db2.gz XVOKHUVSQPAVMC-WPVAHCMFSA-N 0 3 324.468 3.478 20 30 DGEDHN C=CCCCCCCN1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001276041748 1105004163 /nfs/dbraw/zinc/00/41/63/1105004163.db2.gz PEVYMRUPPVXJPU-KDURUIRLSA-N 0 3 317.477 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1c(C)onc1CC ZINC001276169352 1105035712 /nfs/dbraw/zinc/03/57/12/1105035712.db2.gz ZLZXCFQXVCBUCQ-UHFFFAOYSA-N 0 3 321.465 3.086 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1Cc1cncc(C)c1 ZINC001276289648 1105079641 /nfs/dbraw/zinc/07/96/41/1105079641.db2.gz OBPWNECVKSRKAU-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)noc1C(C)C)C2 ZINC001095568032 1105084119 /nfs/dbraw/zinc/08/41/19/1105084119.db2.gz AQOJKOFBMQFWOV-ILXRZTDVSA-N 0 3 317.433 3.018 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110925008 1105121287 /nfs/dbraw/zinc/12/12/87/1105121287.db2.gz CPOZSXZELPXFRM-AQNXPRMDSA-N 0 3 324.468 3.410 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1C)C2 ZINC001110972907 1105130463 /nfs/dbraw/zinc/13/04/63/1105130463.db2.gz HZVODPDHBHSQJY-OIISXLGYSA-N 0 3 317.433 3.065 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCCCF)C1 ZINC001111002073 1105139371 /nfs/dbraw/zinc/13/93/71/1105139371.db2.gz UJGAAEPFXUBBBI-OAGGEKHMSA-N 0 3 308.441 3.204 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001248751514 1105155353 /nfs/dbraw/zinc/15/53/53/1105155353.db2.gz YTFMKFPBTVKSHA-LJQANCHMSA-N 0 3 307.397 3.169 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccncc2C)C1 ZINC001248753150 1105156058 /nfs/dbraw/zinc/15/60/58/1105156058.db2.gz URIDXLCEAJAVPW-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(Cl)cc(OC)c3)no2)CCCN1 ZINC001249351656 1105272245 /nfs/dbraw/zinc/27/22/45/1105272245.db2.gz ADHPGGZJEHSFKD-MRXNPFEDSA-N 0 3 317.776 3.001 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(Cl)c(OC)c3)no2)CCCN1 ZINC001249351734 1105272606 /nfs/dbraw/zinc/27/26/06/1105272606.db2.gz GCRSCAORHLPYHT-MRXNPFEDSA-N 0 3 317.776 3.001 20 30 DGEDHN N#Cc1ccc2cc(CN3CCC4(CCOCC4)CC3)[nH]c2c1 ZINC001249429917 1105285293 /nfs/dbraw/zinc/28/52/93/1105285293.db2.gz VXXWJZJEXLJXEK-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN N#Cc1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1Cl ZINC001249554788 1105311945 /nfs/dbraw/zinc/31/19/45/1105311945.db2.gz DROPOAPUGQQRJV-MRXNPFEDSA-N 0 3 317.820 3.392 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC=C)CCCCC1)C2 ZINC001111442527 1105344916 /nfs/dbraw/zinc/34/49/16/1105344916.db2.gz VUOYXRCNZYEVQN-KURKYZTESA-N 0 3 314.473 3.258 20 30 DGEDHN N#Cc1cccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1F ZINC001249700518 1105360133 /nfs/dbraw/zinc/36/01/33/1105360133.db2.gz YWWQAGXMWJYQBD-IRXDYDNUSA-N 0 3 319.399 3.096 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc(C)cn3c1)C2 ZINC001097191932 1105362298 /nfs/dbraw/zinc/36/22/98/1105362298.db2.gz GMDRUHROUUFETR-QRVBRYPASA-N 0 3 323.440 3.159 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C2 ZINC001097329159 1105381132 /nfs/dbraw/zinc/38/11/32/1105381132.db2.gz ABCVWDRPMFMGNR-JJTUDDRGSA-N 0 3 316.470 3.149 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(Cl)c1)C2 ZINC001097550391 1105407480 /nfs/dbraw/zinc/40/74/80/1105407480.db2.gz WKWKICKIGZFVMG-ZACQAIPSSA-N 0 3 316.832 3.007 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)c(F)cc1F)C2 ZINC001097746060 1105440351 /nfs/dbraw/zinc/44/03/51/1105440351.db2.gz ASRRCUQNJJJGIH-GTTSAUCSSA-N 0 3 324.346 3.015 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001097805725 1105446939 /nfs/dbraw/zinc/44/69/39/1105446939.db2.gz UPTIMQWRJHYLCT-QRVBRYPASA-N 0 3 324.468 3.307 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCCCC1)C2 ZINC001098002724 1105498531 /nfs/dbraw/zinc/49/85/31/1105498531.db2.gz STKUWJBCOKGRHJ-KURKYZTESA-N 0 3 316.489 3.338 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001278585470 1105546231 /nfs/dbraw/zinc/54/62/31/1105546231.db2.gz LQHAXMKYTNEVNP-PPHUXIPZSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C1CN(CCCc2ccsc2)C1 ZINC001276388966 1105557802 /nfs/dbraw/zinc/55/78/02/1105557802.db2.gz MWIQJHYQJMMFHR-OAHLLOKOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccc(C)s1)C2 ZINC001098204927 1105561981 /nfs/dbraw/zinc/56/19/81/1105561981.db2.gz JXLWQMUUGQNSLF-JJXSEGSLSA-N 0 3 318.486 3.458 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 ZINC001098377651 1105573191 /nfs/dbraw/zinc/57/31/91/1105573191.db2.gz QHABUXKVCDDATQ-AQNXPRMDSA-N 0 3 324.468 3.015 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001098451610 1105575385 /nfs/dbraw/zinc/57/53/85/1105575385.db2.gz PGFAJSMVTNCSDL-VXIBKDFQSA-N 0 3 302.462 3.421 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1ccccc1C)C2 ZINC001098504214 1105581479 /nfs/dbraw/zinc/58/14/79/1105581479.db2.gz ZEEFUVVWLOHARZ-QRQLOZEOSA-N 0 3 324.468 3.017 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)oc2C)C1 ZINC001098725818 1105598804 /nfs/dbraw/zinc/59/88/04/1105598804.db2.gz QJMAFGOTINWPQX-YJBOKZPZSA-N 0 3 302.418 3.057 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001099027488 1105631137 /nfs/dbraw/zinc/63/11/37/1105631137.db2.gz SCVLQJVBTGHMQA-ZQIUZPCESA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3ccncc32)C1 ZINC001099101053 1105642628 /nfs/dbraw/zinc/64/26/28/1105642628.db2.gz FXMMOIOCYVOIQC-JXFKEZNVSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C2CC2)CCC1 ZINC001099158790 1105651434 /nfs/dbraw/zinc/65/14/34/1105651434.db2.gz LEPYTFMGHBFBNW-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C2CC2)CCC1 ZINC001099159327 1105651734 /nfs/dbraw/zinc/65/17/34/1105651734.db2.gz QMSZDGOSEWWWGL-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099194176 1105656625 /nfs/dbraw/zinc/65/66/25/1105656625.db2.gz LIFZVRXRCOZNCS-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)C(F)(F)F ZINC001099209259 1105657794 /nfs/dbraw/zinc/65/77/94/1105657794.db2.gz YSEBYKWMUBFPTG-STQMWFEESA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C(C)C)CC1 ZINC001099228874 1105659564 /nfs/dbraw/zinc/65/95/64/1105659564.db2.gz CJMGUMSGHRNCIH-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001099230599 1105660281 /nfs/dbraw/zinc/66/02/81/1105660281.db2.gz WCEYCZSHDPZWLD-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1C(F)(F)F ZINC001099288088 1105664731 /nfs/dbraw/zinc/66/47/31/1105664731.db2.gz FLZXSSFULCHJON-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccccc1F ZINC001099325076 1105668970 /nfs/dbraw/zinc/66/89/70/1105668970.db2.gz SBMUKYMRFYSSJB-INIZCTEOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C(C)=C\CC ZINC001099433362 1105678729 /nfs/dbraw/zinc/67/87/29/1105678729.db2.gz ZXIBULQQSBQAKB-RKSWKSQSSA-N 0 3 322.880 3.264 20 30 DGEDHN C=C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1 ZINC001251951934 1105714408 /nfs/dbraw/zinc/71/44/08/1105714408.db2.gz CEFLORQNYJXGLA-SJLPKXTDSA-N 0 3 301.361 3.082 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001491044393 1105741895 /nfs/dbraw/zinc/74/18/95/1105741895.db2.gz WEVYGGCJPPTJME-BETUJISGSA-N 0 3 317.260 3.126 20 30 DGEDHN O=C(C[C@@H]1CC=CCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491044515 1105741660 /nfs/dbraw/zinc/74/16/60/1105741660.db2.gz ZBYPNWVGTRGGHL-AQNXPRMDSA-N 0 3 322.452 3.021 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001252126189 1105745552 /nfs/dbraw/zinc/74/55/52/1105745552.db2.gz MODRACPNVMBSJU-JKSUJKDBSA-N 0 3 311.491 3.372 20 30 DGEDHN CCCCCCCC[C@H](O)CN[C@H]1Cc2ccccc2NC1=O ZINC001252137341 1105748727 /nfs/dbraw/zinc/74/87/27/1105748727.db2.gz XMFLVFCURYAAJU-WMZOPIPTSA-N 0 3 318.461 3.251 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H](NC/C=C/Cl)C(C)(C)C2)CC1 ZINC001278667379 1105781386 /nfs/dbraw/zinc/78/13/86/1105781386.db2.gz QEGKPWRROWBGGJ-ULYATVDSSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)CCC ZINC001491278761 1105793209 /nfs/dbraw/zinc/79/32/09/1105793209.db2.gz ANMIRAQESAEKHS-IAGOWNOFSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C[C@@](C)(O)CNCc1cccc(Br)c1Cl ZINC001252582339 1105797942 /nfs/dbraw/zinc/79/79/42/1105797942.db2.gz PPDXZABDJFPWNT-GFCCVEGCSA-N 0 3 304.615 3.129 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C)CCCCCC2)C1 ZINC001491286461 1105799165 /nfs/dbraw/zinc/79/91/65/1105799165.db2.gz KDFQFJMXXCCJNF-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001491292959 1105799651 /nfs/dbraw/zinc/79/96/51/1105799651.db2.gz OVZWDAZGZHWURB-RDJZCZTQSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001491292960 1105799704 /nfs/dbraw/zinc/79/97/04/1105799704.db2.gz OVZWDAZGZHWURB-WBVHZDCISA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCC[C@H](O)CN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001252601673 1105799909 /nfs/dbraw/zinc/79/99/09/1105799909.db2.gz CCEZMAYEHVUSBA-AZUAARDMSA-N 0 3 314.473 3.009 20 30 DGEDHN C=CCC[C@@H](O)CNCc1c(OC)cccc1C(F)(F)F ZINC001252616366 1105804372 /nfs/dbraw/zinc/80/43/72/1105804372.db2.gz OANNOUPPSIWNKF-LLVKDONJSA-N 0 3 303.324 3.131 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC001491410683 1105821562 /nfs/dbraw/zinc/82/15/62/1105821562.db2.gz MNDAQIGLIXVLQS-MLGOLLRUSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491412369 1105822690 /nfs/dbraw/zinc/82/26/90/1105822690.db2.gz YSAYLDCAFTVWHY-BZNIZROVSA-N 0 3 308.372 3.013 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC001491441330 1105827847 /nfs/dbraw/zinc/82/78/47/1105827847.db2.gz LPJYLDKCYBCXCA-GUYCJALGSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001495672956 1105831334 /nfs/dbraw/zinc/83/13/34/1105831334.db2.gz LXXAYTNVXGVUJA-ZDUSSCGKSA-N 0 3 310.388 3.163 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001253235683 1105907610 /nfs/dbraw/zinc/90/76/10/1105907610.db2.gz NGDKOTPLNWJIJV-CABCVRRESA-N 0 3 323.399 3.121 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1cccc(OCC)n1 ZINC001253254049 1105913121 /nfs/dbraw/zinc/91/31/21/1105913121.db2.gz LWESSBLFSXBKEZ-QGZVFWFLSA-N 0 3 306.450 3.457 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101373796 1105914780 /nfs/dbraw/zinc/91/47/80/1105914780.db2.gz DJHBNRZSXIARGM-HLIPFELVSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)NC[C@H](O)COC(C)(C)C ZINC001253475637 1105944257 /nfs/dbraw/zinc/94/42/57/1105944257.db2.gz CUPJYGKCMGIZGL-GJZGRUSLSA-N 0 3 307.434 3.078 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001101943098 1106003569 /nfs/dbraw/zinc/00/35/69/1106003569.db2.gz IQNJQOLNEXXZGI-FTKKBDTKSA-N 0 3 324.468 3.079 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H](N2CCC[C@H](CC#N)C2)C1 ZINC001254202297 1106034460 /nfs/dbraw/zinc/03/44/60/1106034460.db2.gz KYLUTYUEULYOIP-HZPDHXFCSA-N 0 3 321.465 3.402 20 30 DGEDHN N#CC1(c2ccc(F)cc2)CCC(Nc2ccc(CN)nc2)CC1 ZINC001254348964 1106057992 /nfs/dbraw/zinc/05/79/92/1106057992.db2.gz FHGKXZXLMPMYQB-UHFFFAOYSA-N 0 3 324.403 3.495 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2)C1 ZINC001102642648 1106087296 /nfs/dbraw/zinc/08/72/96/1106087296.db2.gz KMBQJTYUXPHGFK-CZUORRHYSA-N 0 3 306.837 3.127 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc(-c4cccnc4)no3)CC2)C1 ZINC001254666058 1106127698 /nfs/dbraw/zinc/12/76/98/1106127698.db2.gz SWXNKGADLXUIQI-CJNGLKHVSA-N 0 3 323.400 3.003 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668560 1106128266 /nfs/dbraw/zinc/12/82/66/1106128266.db2.gz IYJLKILWOIMLKG-ZBFHGGJFSA-N 0 3 321.465 3.400 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001254673316 1106130608 /nfs/dbraw/zinc/13/06/08/1106130608.db2.gz IRKPPWKELVZGGX-YVWKXTFCSA-N 0 3 309.457 3.374 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC[C@H](N3Cc4ccccc4NC3=O)C2)C1 ZINC001254676788 1106132044 /nfs/dbraw/zinc/13/20/44/1106132044.db2.gz OCJDITAWEXKTMO-UAGQMJEPSA-N 0 3 324.428 3.191 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001254678688 1106132626 /nfs/dbraw/zinc/13/26/26/1106132626.db2.gz GZKGRBRVEBVMDU-KBXIAJHMSA-N 0 3 301.821 3.295 20 30 DGEDHN C[C@@H](CC#N)N[C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254733421 1106137546 /nfs/dbraw/zinc/13/75/46/1106137546.db2.gz JHHAFQNQYUZREF-LSDHHAIUSA-N 0 3 321.465 3.448 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](NCC1(C#N)CCC1)C2 ZINC001254760839 1106139070 /nfs/dbraw/zinc/13/90/70/1106139070.db2.gz YIVCCEVWXQGFTQ-CQSZACIVSA-N 0 3 319.449 3.059 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001255152565 1106192000 /nfs/dbraw/zinc/19/20/00/1106192000.db2.gz XOZDRILNCTWKAR-CABCVRRESA-N 0 3 321.465 3.448 20 30 DGEDHN CC[C@H](CC#N)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001255152881 1106192279 /nfs/dbraw/zinc/19/22/79/1106192279.db2.gz HWXUYHAORDKZCR-VZHDMLGISA-N 0 3 307.438 3.104 20 30 DGEDHN CC[C@H](CC#N)NC[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255152621 1106192447 /nfs/dbraw/zinc/19/24/47/1106192447.db2.gz ZGHZBDZVIZGHEM-KLHDSHLOSA-N 0 3 321.465 3.161 20 30 DGEDHN CC[C@H](CC#N)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001255154763 1106192950 /nfs/dbraw/zinc/19/29/50/1106192950.db2.gz GSEKEIUZQYQGSU-LSDHHAIUSA-N 0 3 309.454 3.305 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2c(F)cccc2F)CC1 ZINC001255160071 1106193920 /nfs/dbraw/zinc/19/39/20/1106193920.db2.gz FQIPTRYCBOIDMO-CYBMUJFWSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2cccc(F)c2F)CC1 ZINC001255159969 1106193939 /nfs/dbraw/zinc/19/39/39/1106193939.db2.gz CYHZKDNKQZBCGT-CQSZACIVSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)NC1(Cc2cccc(OC)c2)CCOCC1 ZINC001255160801 1106194186 /nfs/dbraw/zinc/19/41/86/1106194186.db2.gz QFBGSXNWOBCYSZ-MRXNPFEDSA-N 0 3 302.418 3.069 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103326651 1106203935 /nfs/dbraw/zinc/20/39/35/1106203935.db2.gz DCFVULHUKKNAFM-SXIRTYMMSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)N[C@H]1CCN(C(=O)OCC)C1 ZINC001256022248 1106357221 /nfs/dbraw/zinc/35/72/21/1106357221.db2.gz ZXMBAHJZEWXPDI-GJZGRUSLSA-N 0 3 318.417 3.133 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](CC)CC(F)(F)F)C(C)C ZINC001278926196 1106400189 /nfs/dbraw/zinc/40/01/89/1106400189.db2.gz CPRWVNGZFJSPLI-CQSZACIVSA-N 0 3 320.399 3.157 20 30 DGEDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001256662522 1106465140 /nfs/dbraw/zinc/46/51/40/1106465140.db2.gz XMRNQNOTZYSCCB-INIZCTEOSA-N 0 3 319.836 3.092 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1CC ZINC001278969366 1106498064 /nfs/dbraw/zinc/49/80/64/1106498064.db2.gz ITMDUTCDRMOGNV-ZSYWTGECSA-N 0 3 312.457 3.228 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1CC ZINC001278969452 1106498619 /nfs/dbraw/zinc/49/86/19/1106498619.db2.gz KPZQGCJBPNMOAQ-SFHVURJKSA-N 0 3 312.457 3.231 20 30 DGEDHN CCCCCC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001257369073 1106575441 /nfs/dbraw/zinc/57/54/41/1106575441.db2.gz SWNTYGFWSSIWSU-MRXNPFEDSA-N 0 3 300.450 3.434 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H](C)CCCCC ZINC001257515829 1106600867 /nfs/dbraw/zinc/60/08/67/1106600867.db2.gz VOQQZYVIKRZKPN-RDJZCZTQSA-N 0 3 305.466 3.491 20 30 DGEDHN CCCCCCCCCC[C@H](C)N1CCN(CC(N)=O)CC1 ZINC001257550684 1106604061 /nfs/dbraw/zinc/60/40/61/1106604061.db2.gz QUGFWNDKGSTJQW-KRWDZBQOSA-N 0 3 311.514 3.009 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001279025099 1106609230 /nfs/dbraw/zinc/60/92/30/1106609230.db2.gz MLFIDNIHVJIVLU-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H](NCCC#N)C2 ZINC001257788336 1106628708 /nfs/dbraw/zinc/62/87/08/1106628708.db2.gz PLDVYHYUGPJGRX-RHSMWYFYSA-N 0 3 307.438 3.059 20 30 DGEDHN C=C1C[C@@H]2CC(N3CCN(C(=O)c4ccco4)CC3)C[C@H](C1)C2 ZINC001257889521 1106641884 /nfs/dbraw/zinc/64/18/84/1106641884.db2.gz CTTUAUQCSRJMFN-SJPCQFCGSA-N 0 3 314.429 3.172 20 30 DGEDHN CCCCCCC[C@@H](C)NCc1cc(OCCOC)ncn1 ZINC001258043004 1106664059 /nfs/dbraw/zinc/66/40/59/1106664059.db2.gz GUWODLVAHRGMGK-OAHLLOKOSA-N 0 3 309.454 3.340 20 30 DGEDHN CCOC(=O)CCC[C@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001258118431 1106677433 /nfs/dbraw/zinc/67/74/33/1106677433.db2.gz XZRNUAJEEOHNEK-AWEZNQCLSA-N 0 3 300.402 3.038 20 30 DGEDHN CCCCCCCCC[C@@H](C)N(C)CC(=O)N1CCOCC1 ZINC001258229980 1106702580 /nfs/dbraw/zinc/70/25/80/1106702580.db2.gz WPWPCJFZEALGGD-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN CCCCCCCCC[C@H](C)N1CCN(CC(=O)OC)CC1 ZINC001258227727 1106702618 /nfs/dbraw/zinc/70/26/18/1106702618.db2.gz ARWUKEABLHQITR-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN CCCCCCCCC[C@H](C)N1CC(N2CCN(C)CC2)C1 ZINC001258232310 1106702744 /nfs/dbraw/zinc/70/27/44/1106702744.db2.gz JMKJJHAQKZRHRH-SFHVURJKSA-N 0 3 309.542 3.447 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001258462248 1106758429 /nfs/dbraw/zinc/75/84/29/1106758429.db2.gz INLNYKQMCONHPL-UHFFFAOYSA-N 0 3 318.486 3.385 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC001316924012 1106769405 /nfs/dbraw/zinc/76/94/05/1106769405.db2.gz JMBJIJZLEWQHGK-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(-c2ccccc2)o1)C1CC1 ZINC001316923981 1106770339 /nfs/dbraw/zinc/77/03/39/1106770339.db2.gz JBLZWQMNDXRNEJ-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001316946813 1106800738 /nfs/dbraw/zinc/80/07/38/1106800738.db2.gz DVFUPPIYQHCPIL-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001316951162 1106815104 /nfs/dbraw/zinc/81/51/04/1106815104.db2.gz ZAKMJPYKAAFRHJ-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001316950949 1106815193 /nfs/dbraw/zinc/81/51/93/1106815193.db2.gz GHPVURQBCYXPPX-DOMZBBRYSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001316978936 1106840120 /nfs/dbraw/zinc/84/01/20/1106840120.db2.gz HFMGOACUASMDIT-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001316992850 1106869565 /nfs/dbraw/zinc/86/95/65/1106869565.db2.gz VHEQOQUSYDVDJA-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCCCCC(C)C)CC1 ZINC001317001287 1106882829 /nfs/dbraw/zinc/88/28/29/1106882829.db2.gz KVHXVQDBUJALSH-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001317003417 1106884312 /nfs/dbraw/zinc/88/43/12/1106884312.db2.gz VSHUUBBTJGYQKS-LBPRGKRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001317003105 1106884546 /nfs/dbraw/zinc/88/45/46/1106884546.db2.gz XIJRZSBNBUKFSL-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001317003607 1106886193 /nfs/dbraw/zinc/88/61/93/1106886193.db2.gz XRJMJDRXEAZMFJ-ZRJDUIELSA-N 0 3 310.869 3.312 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)C#CC(C)C)C1 ZINC001317076159 1106972543 /nfs/dbraw/zinc/97/25/43/1106972543.db2.gz NRUBDHLJJLWUHF-SHTZXODSSA-N 0 3 318.848 3.045 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001317086680 1106982291 /nfs/dbraw/zinc/98/22/91/1106982291.db2.gz OPBJUVNAFLGMCK-IJLUTSLNSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCc2cccnc2)C1 ZINC001320378973 1106985867 /nfs/dbraw/zinc/98/58/67/1106985867.db2.gz ZXXDYUCEZRMNTB-LJQANCHMSA-N 0 3 324.424 3.438 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCNCc1cccc(F)c1Cl ZINC001320407706 1106997848 /nfs/dbraw/zinc/99/78/48/1106997848.db2.gz SBUZJSOQGDXEBQ-ZDUSSCGKSA-N 0 3 324.827 3.123 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1nc(C)cs1 ZINC001320437831 1107005763 /nfs/dbraw/zinc/00/57/63/1107005763.db2.gz PKZUUFIADSZSEN-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN(C[C@H](F)CC)C2)CCC1 ZINC001317135767 1107039683 /nfs/dbraw/zinc/03/96/83/1107039683.db2.gz QXSUQUFBWKSTDS-JKSUJKDBSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccccc1Cl ZINC001320616108 1107071512 /nfs/dbraw/zinc/07/15/12/1107071512.db2.gz PANJHPJYBFGPON-NSHDSACASA-N 0 3 301.217 3.191 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001317180235 1107100847 /nfs/dbraw/zinc/10/08/47/1107100847.db2.gz IXLNOAQTAMAPJW-PKOBYXMFSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1sc(C)nc1C ZINC001320745790 1107123929 /nfs/dbraw/zinc/12/39/29/1107123929.db2.gz HSBZOFHRNSAWPP-UHFFFAOYSA-N 0 3 309.479 3.054 20 30 DGEDHN CC(C(=O)NC[C@H](C)NCc1ccc(C#N)s1)=C1CCCC1 ZINC001317234315 1107158783 /nfs/dbraw/zinc/15/87/83/1107158783.db2.gz PEPLCKNSAKJDIN-LBPRGKRZSA-N 0 3 317.458 3.105 20 30 DGEDHN N#CCOc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC001320870647 1107170326 /nfs/dbraw/zinc/17/03/26/1107170326.db2.gz QHEOJAVPQHEVDV-UHFFFAOYSA-N 0 3 317.392 3.303 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CNCc1cccc(Cl)c1 ZINC001321228730 1107292928 /nfs/dbraw/zinc/29/29/28/1107292928.db2.gz QEHLLGAOQKHPNZ-VOTSOKGWSA-N 0 3 318.848 3.296 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)CCC(C)(C)c1ccccc1 ZINC001321431699 1107347818 /nfs/dbraw/zinc/34/78/18/1107347818.db2.gz ZXFVIGUGYLTQPG-KTKRTIGZSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1c[nH]cc1C ZINC001317433783 1107359068 /nfs/dbraw/zinc/35/90/68/1107359068.db2.gz GZHHMIWNQPBELI-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC1CC(C)(C)C1 ZINC001321627689 1107396901 /nfs/dbraw/zinc/39/69/01/1107396901.db2.gz KLSPMXMUAULFSV-GFCCVEGCSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001317456555 1107403527 /nfs/dbraw/zinc/40/35/27/1107403527.db2.gz BWUXRXWYIDGOLT-SFHVURJKSA-N 0 3 316.420 3.055 20 30 DGEDHN C=C1CCC(C(=O)NCCN(C)Cc2ccccc2C)CC1 ZINC001317458896 1107407825 /nfs/dbraw/zinc/40/78/25/1107407825.db2.gz FTVOQMOPPFPGAH-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN C[C@H](C#N)OCCN1CCC(Nc2ccccc2Cl)CC1 ZINC001321773710 1107430823 /nfs/dbraw/zinc/43/08/23/1107430823.db2.gz FBJCHWJICCXGRV-CYBMUJFWSA-N 0 3 307.825 3.145 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001321966670 1107474152 /nfs/dbraw/zinc/47/41/52/1107474152.db2.gz RMWKQUPWYCECFY-AWEZNQCLSA-N 0 3 320.864 3.222 20 30 DGEDHN Cc1ccccc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001322112163 1107519336 /nfs/dbraw/zinc/51/93/36/1107519336.db2.gz UOBKJZSQICPJQV-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(Cl)ccc1F)C1CC1 ZINC001317553736 1107528808 /nfs/dbraw/zinc/52/88/08/1107528808.db2.gz BRGMDLBPRCBWSQ-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C#CCOc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC001322139822 1107537339 /nfs/dbraw/zinc/53/73/39/1107537339.db2.gz GUTXVRCZUDPTHR-UHFFFAOYSA-N 0 3 311.429 3.351 20 30 DGEDHN CC(C)c1ccc(CN(C)C[C@H](C)NC(=O)C#CC2CC2)cc1 ZINC001322159035 1107547562 /nfs/dbraw/zinc/54/75/62/1107547562.db2.gz YFAIQTWQAPMMOE-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CC[C@@H]1CCc2ccccc21 ZINC001322306593 1107623833 /nfs/dbraw/zinc/62/38/33/1107623833.db2.gz MQSXLIMRFKOOAV-RDJZCZTQSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826871 1107692505 /nfs/dbraw/zinc/69/25/05/1107692505.db2.gz RGVXBCQNTPMAEE-JKSUJKDBSA-N 0 3 316.445 3.141 20 30 DGEDHN C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826871 1107692509 /nfs/dbraw/zinc/69/25/09/1107692509.db2.gz RGVXBCQNTPMAEE-JKSUJKDBSA-N 0 3 316.445 3.141 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001317930010 1107747100 /nfs/dbraw/zinc/74/71/00/1107747100.db2.gz CITAHKJDFIWZSU-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001322791692 1107756579 /nfs/dbraw/zinc/75/65/79/1107756579.db2.gz CZZLFIALFZWDMC-LLVKDONJSA-N 0 3 314.779 3.156 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001317944421 1107757911 /nfs/dbraw/zinc/75/79/11/1107757911.db2.gz JYLHGMWXMIPUSZ-ZWKOTPCHSA-N 0 3 304.478 3.363 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001323065781 1107821626 /nfs/dbraw/zinc/82/16/26/1107821626.db2.gz WJIILAPZNDFLBE-PKOBYXMFSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@@H](CC)C1 ZINC001323128963 1107845895 /nfs/dbraw/zinc/84/58/95/1107845895.db2.gz IRFXBFWJWBOZID-GANVNIMBSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2csc(C)n2)[C@@H](CC)C1 ZINC001323132002 1107847670 /nfs/dbraw/zinc/84/76/70/1107847670.db2.gz WCPUDBVMZCIKIB-GOEBONIOSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)c1ccccc1 ZINC001318223779 1107905431 /nfs/dbraw/zinc/90/54/31/1107905431.db2.gz KVBADPPOMRGTFB-WDSOQIARSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1F ZINC001318223971 1107905565 /nfs/dbraw/zinc/90/55/65/1107905565.db2.gz GRGHKAVGJACYIU-IRXDYDNUSA-N 0 3 316.420 3.010 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(F)cc2ccoc21 ZINC001323263036 1107907184 /nfs/dbraw/zinc/90/71/84/1107907184.db2.gz QRARJUQTMSFDCF-HNNXBMFYSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001323276164 1107912836 /nfs/dbraw/zinc/91/28/36/1107912836.db2.gz DUJWPAIQXXSDRE-HOCLYGCPSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001323333424 1107940665 /nfs/dbraw/zinc/94/06/65/1107940665.db2.gz CFLDJMLTSWOVMM-DZGCQCFKSA-N 0 3 317.433 3.101 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001323339420 1107943909 /nfs/dbraw/zinc/94/39/09/1107943909.db2.gz GCNFCAPICWWQEW-CJNGLKHVSA-N 0 3 306.837 3.499 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001323342092 1107945253 /nfs/dbraw/zinc/94/52/53/1107945253.db2.gz XWWSHDPVPXRUNP-OAHLLOKOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001323351991 1107947531 /nfs/dbraw/zinc/94/75/31/1107947531.db2.gz KOAMKKXGCAXTTA-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC[C@H]1CCc2ccccc21 ZINC001323356328 1107947826 /nfs/dbraw/zinc/94/78/26/1107947826.db2.gz ILZILMIVGROGMA-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1C ZINC001323372091 1107954011 /nfs/dbraw/zinc/95/40/11/1107954011.db2.gz QKAPLAMLHFOKDR-HKUYNNGSSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001323372345 1107956831 /nfs/dbraw/zinc/95/68/31/1107956831.db2.gz VBTXDBNYUHPODN-KRWDZBQOSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@]1(C)CCc2ccccc21 ZINC001323372547 1107957202 /nfs/dbraw/zinc/95/72/02/1107957202.db2.gz ZAELTIIABVRPAJ-FXAWDEMLSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1C ZINC001323372093 1107957287 /nfs/dbraw/zinc/95/72/87/1107957287.db2.gz QKAPLAMLHFOKDR-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001318365682 1107962101 /nfs/dbraw/zinc/96/21/01/1107962101.db2.gz IARJBJSFIROIHR-MOPGFXCFSA-N 0 3 312.457 3.030 20 30 DGEDHN CCCCC(=O)NC[C@@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001318501622 1108063825 /nfs/dbraw/zinc/06/38/25/1108063825.db2.gz HFCNUNODCIOILF-QGZVFWFLSA-N 0 3 320.864 3.366 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC001323727513 1108067241 /nfs/dbraw/zinc/06/72/41/1108067241.db2.gz GOPJCCCWTWSROL-MRXNPFEDSA-N 0 3 313.397 3.187 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001323786480 1108082945 /nfs/dbraw/zinc/08/29/45/1108082945.db2.gz VSQCCRQSTLBWHP-AWEZNQCLSA-N 0 3 301.308 3.362 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1scnc1C ZINC001318571007 1108102831 /nfs/dbraw/zinc/10/28/31/1108102831.db2.gz UBBJKFPSMMWIBY-XJKSGUPXSA-N 0 3 309.479 3.038 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001318570347 1108102950 /nfs/dbraw/zinc/10/29/50/1108102950.db2.gz ZPMGKPROOSCLRK-SFHVURJKSA-N 0 3 314.473 3.349 20 30 DGEDHN CCO[C@@H](C(=O)C(C#N)c1ncc(Cl)n1C)c1ccccc1 ZINC001263616182 1108109804 /nfs/dbraw/zinc/10/98/04/1108109804.db2.gz PUJOGLVHISBPDB-IUODEOHRSA-N 0 3 317.776 3.028 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(OC)cc2)CCCC1 ZINC001318665607 1108144850 /nfs/dbraw/zinc/14/48/50/1108144850.db2.gz VNAZSKJYNPSDOV-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)(F)F ZINC001263819528 1108230368 /nfs/dbraw/zinc/23/03/68/1108230368.db2.gz WBYKQMNLUCTGEG-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C1CCCC1 ZINC001263805083 1108210964 /nfs/dbraw/zinc/21/09/64/1108210964.db2.gz LCDBFAJYDOANNO-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1C ZINC001263811904 1108218779 /nfs/dbraw/zinc/21/87/79/1108218779.db2.gz CDHNZGIUDQNDEA-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)CC2CCCCCC2)cc1 ZINC001319000304 1108270557 /nfs/dbraw/zinc/27/05/57/1108270557.db2.gz NDNGRHXTKDUJAN-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C(C)(C)c2ccccc2)cc1 ZINC001319006850 1108274524 /nfs/dbraw/zinc/27/45/24/1108274524.db2.gz QJHWZWHCCNTCIE-UHFFFAOYSA-N 0 3 320.436 3.003 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001263876546 1108277676 /nfs/dbraw/zinc/27/76/76/1108277676.db2.gz JBBOJNJNRXSKGZ-IIAWOOMASA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@H]1C)CCN(C[C@@H](F)CC)CC2 ZINC001263935288 1108303111 /nfs/dbraw/zinc/30/31/11/1108303111.db2.gz YZOCCUNCLDPXGZ-CVEARBPZSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001324646554 1108402343 /nfs/dbraw/zinc/40/23/43/1108402343.db2.gz INYRVSCJNWKXLB-KXBFYZLASA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001324669796 1108414078 /nfs/dbraw/zinc/41/40/78/1108414078.db2.gz REYSZQDNTNZTPV-KRWDZBQOSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCC1 ZINC001319353575 1108426615 /nfs/dbraw/zinc/42/66/15/1108426615.db2.gz OHCCZQFIOICYJM-OWCLPIDISA-N 0 3 322.880 3.360 20 30 DGEDHN O=C(CC1CCC1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001264343266 1108465884 /nfs/dbraw/zinc/46/58/84/1108465884.db2.gz ZASXJIWVCGPGQG-WOJBJXKFSA-N 0 3 324.468 3.245 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001264366515 1108474009 /nfs/dbraw/zinc/47/40/09/1108474009.db2.gz GFMJQSPLEQELOI-XLAORIBOSA-N 0 3 304.478 3.312 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H](C)CNCc1ccc(Cl)cc1F ZINC001319453069 1108474524 /nfs/dbraw/zinc/47/45/24/1108474524.db2.gz DUTNHFIGSOTLND-CYBMUJFWSA-N 0 3 324.827 3.075 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001324957455 1108533830 /nfs/dbraw/zinc/53/38/30/1108533830.db2.gz KZDLJOMPLGFDSW-FQEVSTJZSA-N 0 3 314.473 3.250 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H]1C[C@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001264440799 1108535932 /nfs/dbraw/zinc/53/59/32/1108535932.db2.gz NTKGGPCAAGNWFK-XIRDDKMYSA-N 0 3 318.848 3.193 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2ccncc2Cl)C1 ZINC001264454702 1108539944 /nfs/dbraw/zinc/53/99/44/1108539944.db2.gz JAVDNNYIRXEXBL-DZGCQCFKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc3ccncc3c2)C1 ZINC001324973655 1108544000 /nfs/dbraw/zinc/54/40/00/1108544000.db2.gz YELSUGQIYOXGRU-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CC)CC[C@@H]1c1cccc(F)c1 ZINC001264595991 1108585386 /nfs/dbraw/zinc/58/53/86/1108585386.db2.gz DMUBKTQNSMRIBK-IAGOWNOFSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](CCCC)C(C)C)C[C@@H]2C1 ZINC001264658156 1108604869 /nfs/dbraw/zinc/60/48/69/1108604869.db2.gz CZYMCLJINHFDRR-CEXWTWQISA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(Cl)cc2)[C@H]1C ZINC001264713063 1108629772 /nfs/dbraw/zinc/62/97/72/1108629772.db2.gz PZNGKYNEUUARQB-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)c1cccs1 ZINC001264742952 1108640872 /nfs/dbraw/zinc/64/08/72/1108640872.db2.gz NFYLHZZGFNJMCB-CABCVRRESA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccncc1 ZINC001264741603 1108641741 /nfs/dbraw/zinc/64/17/41/1108641741.db2.gz IQFARSNMXFPCRT-WMZOPIPTSA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)/C(C)=C\C)C2 ZINC001264747182 1108645326 /nfs/dbraw/zinc/64/53/26/1108645326.db2.gz SPNWEKFOMDVHAC-ACAGNQJTSA-N 0 3 319.474 3.050 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ocnc2C)CC(C)(C)C1 ZINC001264750291 1108646727 /nfs/dbraw/zinc/64/67/27/1108646727.db2.gz WCWWBDXITVAOQZ-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCCCC(=O)N1CCC(CCN(C)C/C=C/Cl)CC1 ZINC001319876759 1108675486 /nfs/dbraw/zinc/67/54/86/1108675486.db2.gz OMGYNIAMFKSJRJ-KPKJPENVSA-N 0 3 324.896 3.493 20 30 DGEDHN C#CCCCCC(=O)N1CCC(CCN(C)C/C=C\Cl)CC1 ZINC001319876758 1108675769 /nfs/dbraw/zinc/67/57/69/1108675769.db2.gz OMGYNIAMFKSJRJ-GHXNOFRVSA-N 0 3 324.896 3.493 20 30 DGEDHN CCCCCC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001319898223 1108685503 /nfs/dbraw/zinc/68/55/03/1108685503.db2.gz GSSFUWRQPNROPS-LJQANCHMSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCC1(C)C)C(C)C ZINC001319938108 1108702644 /nfs/dbraw/zinc/70/26/44/1108702644.db2.gz ZTFMUWVYBAWIPY-KGLIPLIRSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)C1CCCC1)C(C)C ZINC001319957925 1108715067 /nfs/dbraw/zinc/71/50/67/1108715067.db2.gz TWNQHVJDESJIDF-ZFWWWQNUSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001265083798 1108725051 /nfs/dbraw/zinc/72/50/51/1108725051.db2.gz TUQJODFLTOQQAL-DZGCQCFKSA-N 0 3 309.841 3.048 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C1(C2CC2)CC1 ZINC001265117812 1108739153 /nfs/dbraw/zinc/73/91/53/1108739153.db2.gz LJNUHFFFHXXISZ-UHFFFAOYSA-N 0 3 324.468 3.057 20 30 DGEDHN C#CCCCC(=O)N(C)C1CCN(Cc2csc(C)c2)CC1 ZINC001265190701 1108765458 /nfs/dbraw/zinc/76/54/58/1108765458.db2.gz YXVVHZZZYSKPEF-UHFFFAOYSA-N 0 3 318.486 3.283 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2cccc(Cl)c2)CC1 ZINC001265194645 1108768157 /nfs/dbraw/zinc/76/81/57/1108768157.db2.gz JXZZBSGLJITTJY-UHFFFAOYSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCCc2ccccc2)CC1 ZINC001265195690 1108768319 /nfs/dbraw/zinc/76/83/19/1108768319.db2.gz JKXQIKMRLKXRPH-UHFFFAOYSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC001265199308 1108771439 /nfs/dbraw/zinc/77/14/39/1108771439.db2.gz RWRXIMOXFHASAF-OAHLLOKOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001265203548 1108774433 /nfs/dbraw/zinc/77/44/33/1108774433.db2.gz LWJJHSSZGAPIQM-TZMCWYRMSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001265216081 1108781586 /nfs/dbraw/zinc/78/15/86/1108781586.db2.gz HYZJKANCBKZZCM-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ccsn2)C1 ZINC001265216144 1108782216 /nfs/dbraw/zinc/78/22/16/1108782216.db2.gz IUHGOQRLMBBTEK-AWEZNQCLSA-N 0 3 307.463 3.084 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001265222823 1108785421 /nfs/dbraw/zinc/78/54/21/1108785421.db2.gz LMKFSPMJWKOGCD-DZGCQCFKSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccccc2Cl)C1 ZINC001265287975 1108807813 /nfs/dbraw/zinc/80/78/13/1108807813.db2.gz LGNXCDLXSBZCRJ-INIZCTEOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001265297564 1108810666 /nfs/dbraw/zinc/81/06/66/1108810666.db2.gz TUWIQLXKTYIKEF-SFHVURJKSA-N 0 3 312.457 3.078 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)CCC1 ZINC001265302237 1108814429 /nfs/dbraw/zinc/81/44/29/1108814429.db2.gz ZXDQGSHIOXYINR-GOSISDBHSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001265303845 1108816162 /nfs/dbraw/zinc/81/61/62/1108816162.db2.gz QDIHJQSNFWWOLZ-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001265314836 1108823374 /nfs/dbraw/zinc/82/33/74/1108823374.db2.gz JUSYQNVDPOQHDQ-CQSZACIVSA-N 0 3 304.459 3.007 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCN(CC=C(C)C)C2)CCCCC1 ZINC001265319756 1108826196 /nfs/dbraw/zinc/82/61/96/1108826196.db2.gz QUTKSDARYFAWDM-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCOCCN1CCC(N(CCC)C(=O)C2CCCC2)CC1 ZINC001265335616 1108831074 /nfs/dbraw/zinc/83/10/74/1108831074.db2.gz BMTMVNMQPDTDQO-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN O=C(CCC1CCCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001265463893 1108881033 /nfs/dbraw/zinc/88/10/33/1108881033.db2.gz CCIYRWMAYFKQJZ-MXVIHJGJSA-N 0 3 324.468 3.245 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001265474229 1108883762 /nfs/dbraw/zinc/88/37/62/1108883762.db2.gz PJBYWSQYCKPELS-WKILWMFISA-N 0 3 318.848 3.270 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCCC(C)C)C1 ZINC001265523554 1108898561 /nfs/dbraw/zinc/89/85/61/1108898561.db2.gz MQPIBWWHGXVPEY-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)CC)C1 ZINC001265523017 1108898909 /nfs/dbraw/zinc/89/89/09/1108898909.db2.gz GKGOYZMOKOJLIC-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001265535494 1108903136 /nfs/dbraw/zinc/90/31/36/1108903136.db2.gz KQEFZBCETCKEEG-YUELXQCFSA-N 0 3 320.383 3.066 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001265603637 1108930571 /nfs/dbraw/zinc/93/05/71/1108930571.db2.gz ZFLVNNHEGZPBTB-YFBAIUBQSA-N 0 3 305.249 3.100 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@@H](CC)c1ccccc1 ZINC001265952404 1109049791 /nfs/dbraw/zinc/04/97/91/1109049791.db2.gz LDTWBYHGLYSCMF-QGZVFWFLSA-N 0 3 300.446 3.032 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001265987713 1109057308 /nfs/dbraw/zinc/05/73/08/1109057308.db2.gz DWIQSZWBUOIKBL-CHWSQXEVSA-N 0 3 312.866 3.473 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001265988968 1109057733 /nfs/dbraw/zinc/05/77/33/1109057733.db2.gz WKZGZSDVRMFOKF-GDBMZVCRSA-N 0 3 321.852 3.115 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001266108199 1109092635 /nfs/dbraw/zinc/09/26/35/1109092635.db2.gz SACLVCFBXFSWSR-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(F)c(C)cc1F ZINC001266152400 1109109341 /nfs/dbraw/zinc/10/93/41/1109109341.db2.gz NIAHBFMESVDCAT-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cccc(CC)c1 ZINC001266156142 1109110154 /nfs/dbraw/zinc/11/01/54/1109110154.db2.gz VYOOMLONEZUOIB-AWEZNQCLSA-N 0 3 308.853 3.028 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2c1ccn2C ZINC001266178563 1109116761 /nfs/dbraw/zinc/11/67/61/1109116761.db2.gz IICUNYLAQXVEAX-ZDUSSCGKSA-N 0 3 319.836 3.029 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001266207871 1109127179 /nfs/dbraw/zinc/12/71/79/1109127179.db2.gz VIANRXLEAGYICF-WCVJEAGWSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cocc1C ZINC001266228082 1109132643 /nfs/dbraw/zinc/13/26/43/1109132643.db2.gz DQWFTQUHMTWLLR-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1Cc1cnc(C)o1 ZINC001266230155 1109133445 /nfs/dbraw/zinc/13/34/45/1109133445.db2.gz ZEJXXDUXMDOXPM-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001266237500 1109136592 /nfs/dbraw/zinc/13/65/92/1109136592.db2.gz XITKSDMPADULDA-FUHWJXTLSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC(C)(C)CC(F)F)C1 ZINC001279264457 1109143716 /nfs/dbraw/zinc/14/37/16/1109143716.db2.gz JSJIJXPGBFGZFP-UHFFFAOYSA-N 0 3 322.827 3.389 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](CC)C(C)(C)C ZINC001279587246 1109157188 /nfs/dbraw/zinc/15/71/88/1109157188.db2.gz LTQOTIDQHTWJKS-IXDOHACOSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccoc2CC)C1 ZINC001280032297 1109172553 /nfs/dbraw/zinc/17/25/53/1109172553.db2.gz SQHDWQHTSNYYSE-ZDUSSCGKSA-N 0 3 310.825 3.036 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H]1C=CCC1 ZINC001280314983 1109184671 /nfs/dbraw/zinc/18/46/71/1109184671.db2.gz GOHKVEZHIWQODU-QGZVFWFLSA-N 0 3 310.441 3.114 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H](C)CSC ZINC001280314718 1109185012 /nfs/dbraw/zinc/18/50/12/1109185012.db2.gz AYXHWBHVHDXBBB-OAHLLOKOSA-N 0 3 320.502 3.310 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2(C3CC3)CC2)cc1 ZINC001280350229 1109188182 /nfs/dbraw/zinc/18/81/82/1109188182.db2.gz GGRRYHOZEQYMOO-OAHLLOKOSA-N 0 3 310.441 3.167 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1cccnc1 ZINC001280451944 1109205848 /nfs/dbraw/zinc/20/58/48/1109205848.db2.gz IZCXFJSYCSTJSS-FUHWJXTLSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccc(C(C)(C)CC)cc2)CCC1 ZINC001280488494 1109211945 /nfs/dbraw/zinc/21/19/45/1109211945.db2.gz ZDRWSMZTEUGOON-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](CC)OC1CCCC1 ZINC001316604251 1109215774 /nfs/dbraw/zinc/21/57/74/1109215774.db2.gz SDILRLIXEOBAIM-WMZOPIPTSA-N 0 3 322.493 3.223 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001280760181 1109249997 /nfs/dbraw/zinc/24/99/97/1109249997.db2.gz OVRHGVLEYLDCFB-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccccc1CC(C)(C)C ZINC001280824160 1109260333 /nfs/dbraw/zinc/26/03/33/1109260333.db2.gz YFQXTXXGKATANN-UHFFFAOYSA-N 0 3 314.473 3.302 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001316607858 1109280479 /nfs/dbraw/zinc/28/04/79/1109280479.db2.gz DVCINJFFPBYFSL-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCCC1CCCC1)C2 ZINC001281098692 1109301185 /nfs/dbraw/zinc/30/11/85/1109301185.db2.gz FBMNIACRWXKKTN-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](CC)SC)cc2C1 ZINC001281292324 1109323921 /nfs/dbraw/zinc/32/39/21/1109323921.db2.gz BIPUWPRRIHLNLE-KRWDZBQOSA-N 0 3 318.486 3.336 20 30 DGEDHN C[C@H]1CN(C(=O)CCC2CCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001281390216 1109343914 /nfs/dbraw/zinc/34/39/14/1109343914.db2.gz ZVMPMHYHXRYOQD-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001281749309 1109403765 /nfs/dbraw/zinc/40/37/65/1109403765.db2.gz STLQMZIRNWLQSS-CAOSSQGBSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)F ZINC001281768709 1109405605 /nfs/dbraw/zinc/40/56/05/1109405605.db2.gz RYVSDBUYPXGOBN-KRWDZBQOSA-N 0 3 318.436 3.416 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CC2CCC2)CC1 ZINC001281830826 1109410035 /nfs/dbraw/zinc/41/00/35/1109410035.db2.gz NEEOQIHPRAVKIK-UHFFFAOYSA-N 0 3 312.885 3.490 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1Cc2c1cccc2Cl ZINC001281967529 1109424720 /nfs/dbraw/zinc/42/47/20/1109424720.db2.gz HWRWSWWRRKLOIY-CJNGLKHVSA-N 0 3 318.848 3.089 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1scnc1C ZINC001282166271 1109460365 /nfs/dbraw/zinc/46/03/65/1109460365.db2.gz DPQYIXQGLHRLRL-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282168286 1109461619 /nfs/dbraw/zinc/46/16/19/1109461619.db2.gz QIGKSFWPSMHTJM-MOPGFXCFSA-N 0 3 324.468 3.105 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2cncs2)CCCC1 ZINC001282245154 1109475976 /nfs/dbraw/zinc/47/59/76/1109475976.db2.gz VREAJKNFTKQIHB-ZIAGYGMSSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001282294791 1109481042 /nfs/dbraw/zinc/48/10/42/1109481042.db2.gz GNDBVMFNZJPQJH-OWCLPIDISA-N 0 3 324.896 3.415 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001282365117 1109494323 /nfs/dbraw/zinc/49/43/23/1109494323.db2.gz VKPUZTMGJSKNGX-OLZOCXBDSA-N 0 3 310.388 3.429 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)Cc2cccc(C)c2)C1 ZINC001282454782 1109514717 /nfs/dbraw/zinc/51/47/17/1109514717.db2.gz IIHOXZAGONJEKJ-MRXNPFEDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)CCc1ccccc1F ZINC001282455952 1109515617 /nfs/dbraw/zinc/51/56/17/1109515617.db2.gz UJAZWTLXHPBHGA-GJZGRUSLSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(-c2cccs2)o1 ZINC001282485965 1109523378 /nfs/dbraw/zinc/52/33/78/1109523378.db2.gz PGSYZDODITUHBG-LBPRGKRZSA-N 0 3 304.415 3.244 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001282726866 1109556764 /nfs/dbraw/zinc/55/67/64/1109556764.db2.gz VWCVTTPNYFCKDT-CQSZACIVSA-N 0 3 320.864 3.204 20 30 DGEDHN C=CCCC(=O)N[C@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001282793620 1109566605 /nfs/dbraw/zinc/56/66/05/1109566605.db2.gz ZEZJMWUKHVHKTN-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC001282834210 1109572394 /nfs/dbraw/zinc/57/23/94/1109572394.db2.gz PWFALHWIELIMJN-AWEZNQCLSA-N 0 3 321.490 3.112 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1C(C)(C)C1(C)C ZINC001283149796 1109598623 /nfs/dbraw/zinc/59/86/23/1109598623.db2.gz ILUOVGZBRJUPQX-LBPRGKRZSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC001283240889 1109606071 /nfs/dbraw/zinc/60/60/71/1109606071.db2.gz WWSMIRCPVJPVMG-STQMWFEESA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(N(C)Cc2cc(C)ns2)CC1 ZINC001283311402 1109612221 /nfs/dbraw/zinc/61/22/21/1109612221.db2.gz WCSDMKOTIGWVQU-UHFFFAOYSA-N 0 3 321.490 3.231 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001283845542 1109688154 /nfs/dbraw/zinc/68/81/54/1109688154.db2.gz IAWDJTCVVMASEB-BBRMVZONSA-N 0 3 319.474 3.135 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CCC1CCC1 ZINC001283966405 1109707263 /nfs/dbraw/zinc/70/72/63/1109707263.db2.gz TXWWTGFBYIGHBV-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2scnc2C)C[C@H]1C ZINC001283987227 1109711104 /nfs/dbraw/zinc/71/11/04/1109711104.db2.gz XFWZGOMPCXRDRC-OCCSQVGLSA-N 0 3 321.490 3.133 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H]1C ZINC001284156542 1109750513 /nfs/dbraw/zinc/75/05/13/1109750513.db2.gz YLUAQNDYIHGUDB-DLBZAZTESA-N 0 3 304.478 3.339 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2nc(C)cs2)C1 ZINC001284208885 1109758608 /nfs/dbraw/zinc/75/86/08/1109758608.db2.gz JFZQTYDNOUESOS-KBPBESRZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001284651753 1109834054 /nfs/dbraw/zinc/83/40/54/1109834054.db2.gz AZXBMCHORAGICT-DOTOQJQBSA-N 0 3 320.452 3.436 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(C)CCCCCC2)CC1 ZINC001284686349 1109840551 /nfs/dbraw/zinc/84/05/51/1109840551.db2.gz NCPFKKANENLKEP-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001316640199 1109982067 /nfs/dbraw/zinc/98/20/67/1109982067.db2.gz YLUWXCLRDSKHTM-QAQDUYKDSA-N 0 3 320.864 3.083 20 30 DGEDHN C#CCN(C(=O)[C@@H](CC)C1CCC(C)CC1)C1CCN(C)CC1 ZINC001289195288 1110207017 /nfs/dbraw/zinc/20/70/17/1110207017.db2.gz IAIOXDKRJRSLBT-TVPLGVNVSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(C)cc2C)[C@H]1CC ZINC001316735721 1111192513 /nfs/dbraw/zinc/19/25/13/1111192513.db2.gz QSXRHCPMSPGKRK-RBUKOAKNSA-N 0 3 314.473 3.391 20 30 DGEDHN N#Cc1ccc(N2CCN(CC3CCC4(CC4)CC3)CC2)nc1 ZINC001307426822 1111298723 /nfs/dbraw/zinc/29/87/23/1111298723.db2.gz QBRWZUZHMFVCQB-UHFFFAOYSA-N 0 3 310.445 3.046 20 30 DGEDHN CC[C@@H]1C[C@H]1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001307676355 1111326610 /nfs/dbraw/zinc/32/66/10/1111326610.db2.gz WYODBBALGPKPCC-UWWQBHOKSA-N 0 3 301.409 3.054 20 30 DGEDHN C=C(Br)CN1CCCC[C@H](C2CCOCC2)C1 ZINC001308038890 1111370559 /nfs/dbraw/zinc/37/05/59/1111370559.db2.gz NELVVNREANFLQW-AWEZNQCLSA-N 0 3 302.256 3.424 20 30 DGEDHN C#CCN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(C)C ZINC001308096948 1111377484 /nfs/dbraw/zinc/37/74/84/1111377484.db2.gz YOARYRNGMPDLTA-CQSZACIVSA-N 0 3 316.228 3.077 20 30 DGEDHN C[C@H]1CCCC[C@H]1OCCNCc1cc(C#N)ccc1N(C)C ZINC001308201212 1111396139 /nfs/dbraw/zinc/39/61/39/1111396139.db2.gz XKYRBJHNFQMWQV-HNAYVOBHSA-N 0 3 315.461 3.309 20 30 DGEDHN CCOc1cccc(F)c1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC001308498462 1111434789 /nfs/dbraw/zinc/43/47/89/1111434789.db2.gz XOGYQFFTPLETIP-INIZCTEOSA-N 0 3 310.372 3.353 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001311986491 1111630171 /nfs/dbraw/zinc/63/01/71/1111630171.db2.gz KYFIKABNPSKMAY-MRXNPFEDSA-N 0 3 317.477 3.408 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001316718636 1111736181 /nfs/dbraw/zinc/73/61/81/1111736181.db2.gz HWFVOHLDRNCBCF-DJIMGWMZSA-N 0 3 304.478 3.051 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(CCF)CC2)C1 ZINC001316773543 1111762823 /nfs/dbraw/zinc/76/28/23/1111762823.db2.gz HRVUMBLBUSYSCE-AWEZNQCLSA-N 0 3 316.848 3.240 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2ccncc2c1 ZINC001316807300 1111774046 /nfs/dbraw/zinc/77/40/46/1111774046.db2.gz VRZIIVRLDVFGDT-IBGZPJMESA-N 0 3 323.440 3.347 20 30 DGEDHN CCC#C[C@H](C)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001620455498 1193769777 /nfs/dbraw/zinc/76/97/77/1193769777.db2.gz SMSDIEKGTVNJNE-DAYGRLMNSA-N 0 3 306.450 3.168 20 30 DGEDHN CC[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CC[C@H]1c1ccccc1 ZINC000424122179 529374318 /nfs/dbraw/zinc/37/43/18/529374318.db2.gz JQOACYWKRFICFL-NXHRZFHOSA-N 0 3 313.445 3.050 20 30 DGEDHN CC[C@H](NCCNC(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000278271387 214059333 /nfs/dbraw/zinc/05/93/33/214059333.db2.gz PDHCOHWNCIIWDN-IBGZPJMESA-N 0 3 321.424 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2cccc(C)c2)CC1 ZINC000077594222 334927168 /nfs/dbraw/zinc/92/71/68/334927168.db2.gz IZIBJXZYNSUZFE-UHFFFAOYSA-N 0 3 315.461 3.180 20 30 DGEDHN CC[C@@H](C)n1ncc(NC(=O)NCCN2CCC(C)CC2)c1C ZINC000331097740 529441253 /nfs/dbraw/zinc/44/12/53/529441253.db2.gz BEDXGORXAZGGTC-CQSZACIVSA-N 0 3 321.469 3.220 20 30 DGEDHN CC[C@@](C)(NCCCC1(C#N)CCOCC1)c1nccs1 ZINC000337156172 529505975 /nfs/dbraw/zinc/50/59/75/529505975.db2.gz ABGVRYMFBPVZFD-OAHLLOKOSA-N 0 3 307.463 3.458 20 30 DGEDHN CCc1ccccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428812270 529579810 /nfs/dbraw/zinc/57/98/10/529579810.db2.gz ACTUXCXWFHPOLZ-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000413403159 529611953 /nfs/dbraw/zinc/61/19/53/529611953.db2.gz NCZDPLATLCTHRA-JKSUJKDBSA-N 0 3 301.434 3.005 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cccs1 ZINC000347653001 529663766 /nfs/dbraw/zinc/66/37/66/529663766.db2.gz QOSWNPDBHYTRBY-WWGRRREGSA-N 0 3 307.463 3.232 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000092401147 185316112 /nfs/dbraw/zinc/31/61/12/185316112.db2.gz WXQCKOLDPYKTLZ-DZGCQCFKSA-N 0 3 319.474 3.137 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000413815208 529718523 /nfs/dbraw/zinc/71/85/23/529718523.db2.gz PUUQYIQIQAUQBI-KRXQYRFLSA-N 0 3 313.445 3.191 20 30 DGEDHN CN(CCCOc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000264165114 529896314 /nfs/dbraw/zinc/89/63/14/529896314.db2.gz UFKPYJSXUHLXFM-UHFFFAOYSA-N 0 3 310.397 3.490 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309928153 529983747 /nfs/dbraw/zinc/98/37/47/529983747.db2.gz UUFZFEPKYSXVSF-FQEVSTJZSA-N 0 3 305.425 3.265 20 30 DGEDHN CN(c1ncc(C#N)cc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000413184355 530038376 /nfs/dbraw/zinc/03/83/76/530038376.db2.gz NQLFAICHPNITIN-QGZVFWFLSA-N 0 3 324.403 3.193 20 30 DGEDHN Cc1noc(C[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2)n1 ZINC000278717479 282400157 /nfs/dbraw/zinc/40/01/57/282400157.db2.gz MAGGKJZVTYNSAT-PVAVHDDUSA-N 0 3 310.401 3.334 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000106035618 432019140 /nfs/dbraw/zinc/01/91/40/432019140.db2.gz RZUFANUIWKBNDV-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000106037750 432019169 /nfs/dbraw/zinc/01/91/69/432019169.db2.gz CKFOSJQAHIFZOB-MSOLQXFVSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000106037286 432019655 /nfs/dbraw/zinc/01/96/55/432019655.db2.gz BXUQRTYCTSIGKN-SFHVURJKSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(CC)cc2)CC1 ZINC000106040759 432019961 /nfs/dbraw/zinc/01/99/61/432019961.db2.gz ZMMYMUFLQACOKS-UHFFFAOYSA-N 0 3 314.473 3.338 20 30 DGEDHN C=C(C)CN1CCC(NCc2c(Cl)n(C)nc2C(C)C)CC1 ZINC000106245303 432020096 /nfs/dbraw/zinc/02/00/96/432020096.db2.gz PHDSQNOTIWTWFL-UHFFFAOYSA-N 0 3 324.900 3.327 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000106038053 432020111 /nfs/dbraw/zinc/02/01/11/432020111.db2.gz FISXHMZVLQEQRN-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000106040843 432020209 /nfs/dbraw/zinc/02/02/09/432020209.db2.gz FEGMXZLIHUFAHQ-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(Cl)c2)CC1 ZINC000106254507 432020659 /nfs/dbraw/zinc/02/06/59/432020659.db2.gz CVJJZPBLFNGCFP-UHFFFAOYSA-N 0 3 321.852 3.180 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000106274963 432020511 /nfs/dbraw/zinc/02/05/11/432020511.db2.gz CCLYEIUIDKRDBR-CVEARBPZSA-N 0 3 307.482 3.152 20 30 DGEDHN COc1ccccc1[C@H](CNc1ccnc(C#N)c1)N1CCCC1 ZINC000287119577 219326509 /nfs/dbraw/zinc/32/65/09/219326509.db2.gz WHTJBOBKJKJVHX-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCCC2(C)C)c(C#N)c1C ZINC000191850473 186264239 /nfs/dbraw/zinc/26/42/39/186264239.db2.gz QJYCHYJMXRCDBH-FZMZJTMJSA-N 0 3 303.406 3.263 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237449867 186290940 /nfs/dbraw/zinc/29/09/40/186290940.db2.gz CUDYPUIKPIIQKX-HNAYVOBHSA-N 0 3 324.424 3.204 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)SCc2ccccc2)CC1 ZINC000171718018 197972489 /nfs/dbraw/zinc/97/24/89/197972489.db2.gz RZOXGFSLSFOPDG-OAHLLOKOSA-N 0 3 318.486 3.075 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000172113205 198041572 /nfs/dbraw/zinc/04/15/72/198041572.db2.gz PZZDCVFDIHYRDV-CQSZACIVSA-N 0 3 309.365 3.278 20 30 DGEDHN N#Cc1cccc(OC2CCN(CCc3cccnc3)CC2)c1 ZINC000172161582 198049594 /nfs/dbraw/zinc/04/95/94/198049594.db2.gz ZMISSFAEVCWSFN-UHFFFAOYSA-N 0 3 307.397 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000172290216 198071672 /nfs/dbraw/zinc/07/16/72/198071672.db2.gz LMWKKNPBELYFBX-INIZCTEOSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 ZINC000172384167 198089639 /nfs/dbraw/zinc/08/96/39/198089639.db2.gz GFGWCQHQHUAHKS-MRXNPFEDSA-N 0 3 315.461 3.048 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3C3CCC3)o2)cc1 ZINC000173641652 198235437 /nfs/dbraw/zinc/23/54/37/198235437.db2.gz LBEXZRYSNHEHPK-MRXNPFEDSA-N 0 3 308.385 3.373 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2sc3c(c2C)CCCC3)CC1 ZINC000073115050 191279539 /nfs/dbraw/zinc/27/95/39/191279539.db2.gz PHHPYPWDCLPNGI-UHFFFAOYSA-N 0 3 316.470 3.219 20 30 DGEDHN C=CCc1ccc(OC[C@H](O)CN2CCCC[C@@H]2C)c(OC)c1 ZINC000003253471 180996948 /nfs/dbraw/zinc/99/69/48/180996948.db2.gz PENXACNWTATTNQ-DOTOQJQBSA-N 0 3 319.445 3.038 20 30 DGEDHN N#CC1(CCN2CCC(C(=O)N3CCCC3)CC2)CCCCC1 ZINC000411130999 283045121 /nfs/dbraw/zinc/04/51/21/283045121.db2.gz WWQKVTASMGRVKL-UHFFFAOYSA-N 0 3 317.477 3.185 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000179885943 199091966 /nfs/dbraw/zinc/09/19/66/199091966.db2.gz LJYMPPATLQJVCK-MRXNPFEDSA-N 0 3 318.486 3.270 20 30 DGEDHN C[C@@]1(O)CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000180195924 199129623 /nfs/dbraw/zinc/12/96/23/199129623.db2.gz ONXFEEYJCCEDJQ-HXUWFJFHSA-N 0 3 322.408 3.094 20 30 DGEDHN C[C@H]1C[C@H]1N1CCN(c2c(F)cc(C#N)cc2F)C[C@@H](C)C1 ZINC000488719723 291158201 /nfs/dbraw/zinc/15/82/01/291158201.db2.gz ONDHSZSSERDUAO-MQIPJXDCSA-N 0 3 305.372 3.003 20 30 DGEDHN Cn1cc(CN2CCC3(CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180164060 432080378 /nfs/dbraw/zinc/08/03/78/432080378.db2.gz NPZQLPPSSUZGSH-UHFFFAOYSA-N 0 3 306.413 3.335 20 30 DGEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186885190 200026857 /nfs/dbraw/zinc/02/68/57/200026857.db2.gz XXKCOVVKVGTKLT-UHFFFAOYSA-N 0 3 319.408 3.099 20 30 DGEDHN CC[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)N(CC)CC ZINC000281080514 216066016 /nfs/dbraw/zinc/06/60/16/216066016.db2.gz COUGXKLHCCHNRK-QGZVFWFLSA-N 0 3 314.433 3.191 20 30 DGEDHN CCCCNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188364630 200233771 /nfs/dbraw/zinc/23/37/71/200233771.db2.gz GGVROGSTUWQDHI-HNNXBMFYSA-N 0 3 313.445 3.248 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN[C@@H]3CCCOC3)c2)c1 ZINC000237849010 202368961 /nfs/dbraw/zinc/36/89/61/202368961.db2.gz IADOCCGZYAMMIW-LJQANCHMSA-N 0 3 322.408 3.406 20 30 DGEDHN N#CC(C(=O)c1ccc(F)cc1OC(F)F)c1ccccn1 ZINC000429350998 238048880 /nfs/dbraw/zinc/04/88/80/238048880.db2.gz DYMWGNHHXDJIGJ-LLVKDONJSA-N 0 3 306.243 3.312 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(C[C@H]3CCCC(F)(F)C3)C2)nc1 ZINC000428792429 238031589 /nfs/dbraw/zinc/03/15/89/238031589.db2.gz WHWIZZNYMORDJJ-ZFWWWQNUSA-N 0 3 321.371 3.232 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3c(F)cccc3c2)nc(C)n1 ZINC000429673642 238058133 /nfs/dbraw/zinc/05/81/33/238058133.db2.gz AVGHMWIZXFMJLE-AWEZNQCLSA-N 0 3 320.327 3.271 20 30 DGEDHN N#CCC1(CNCc2ccc(OCc3ccncc3)cc2)CC1 ZINC000430022685 238064750 /nfs/dbraw/zinc/06/47/50/238064750.db2.gz VLZFTRAUQDWOFY-UHFFFAOYSA-N 0 3 307.397 3.444 20 30 DGEDHN COCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1OC ZINC000430757544 238085855 /nfs/dbraw/zinc/08/58/55/238085855.db2.gz WJKOIYPWKRGRNY-AWEZNQCLSA-N 0 3 318.417 3.065 20 30 DGEDHN C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000271972378 209351751 /nfs/dbraw/zinc/35/17/51/209351751.db2.gz UQVRDCKRIGLVSC-YVEFUNNKSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271957498 209340722 /nfs/dbraw/zinc/34/07/22/209340722.db2.gz QHWFXSIUQMCXEW-XJKSGUPXSA-N 0 3 318.392 3.424 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc4[nH]ccc43)C2)nc1 ZINC000292829098 223263213 /nfs/dbraw/zinc/26/32/13/223263213.db2.gz QZKDDWUWDLYEEU-INIZCTEOSA-N 0 3 318.380 3.088 20 30 DGEDHN N#C[C@@H]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000442868886 239141263 /nfs/dbraw/zinc/14/12/63/239141263.db2.gz RUFXFDGANHSQBO-RHSMWYFYSA-N 0 3 301.459 3.340 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](c1nccn1C)C1CC1)C(C)C ZINC000271850347 209266534 /nfs/dbraw/zinc/26/65/34/209266534.db2.gz VYWNHMQKVJKPDO-MSOLQXFVSA-N 0 3 316.493 3.159 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000135156492 432102802 /nfs/dbraw/zinc/10/28/02/432102802.db2.gz ZGAOAPMIHMNYPX-QZTJIDSGSA-N 0 3 314.429 3.346 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000449182186 240054709 /nfs/dbraw/zinc/05/47/09/240054709.db2.gz BAMJNVZLWLCMEK-QWHCGFSZSA-N 0 3 318.425 3.276 20 30 DGEDHN C=CCCCC[C@H](C)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000449186185 240056554 /nfs/dbraw/zinc/05/65/54/240056554.db2.gz IWXSDROUFNRJPZ-AWEZNQCLSA-N 0 3 313.438 3.324 20 30 DGEDHN CC1(C#N)CCC(NCc2cccnc2OCC(F)F)CC1 ZINC000449205761 240068571 /nfs/dbraw/zinc/06/85/71/240068571.db2.gz MAEYSDREIFBXBP-UHFFFAOYSA-N 0 3 309.360 3.288 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000449352682 240151627 /nfs/dbraw/zinc/15/16/27/240151627.db2.gz XSVLSWMCOGIATB-CHWSQXEVSA-N 0 3 300.793 3.308 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000449435970 240203482 /nfs/dbraw/zinc/20/34/82/240203482.db2.gz GKVKNXWPGGCKOX-DFBGVHRSSA-N 0 3 312.335 3.411 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2CCC[C@H]2C(=O)OCC)c1 ZINC000449580600 240301054 /nfs/dbraw/zinc/30/10/54/240301054.db2.gz RZEGKWOFYWRDDB-SJORKVTESA-N 0 3 303.402 3.073 20 30 DGEDHN Cn1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C#N ZINC000449504892 240253151 /nfs/dbraw/zinc/25/31/51/240253151.db2.gz WOEWWTOZILEHCY-INIZCTEOSA-N 0 3 324.384 3.185 20 30 DGEDHN Cn1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C#N ZINC000449504893 240253533 /nfs/dbraw/zinc/25/35/33/240253533.db2.gz WOEWWTOZILEHCY-MRXNPFEDSA-N 0 3 324.384 3.185 20 30 DGEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc2c1OCO2 ZINC000078878142 283872220 /nfs/dbraw/zinc/87/22/20/283872220.db2.gz NDDZKFCIFIGFSV-GFCCVEGCSA-N 0 3 310.353 3.146 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1=O ZINC000451354787 241094561 /nfs/dbraw/zinc/09/45/61/241094561.db2.gz ODUHYAAXDBKSOZ-HOTGVXAUSA-N 0 3 322.811 3.307 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCC12CCCC2 ZINC000451453422 241128084 /nfs/dbraw/zinc/12/80/84/241128084.db2.gz GIMKHICPLBTLPQ-OAHLLOKOSA-N 0 3 317.820 3.463 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2OC)C12CCC2 ZINC000451478400 241137846 /nfs/dbraw/zinc/13/78/46/241137846.db2.gz JWEAWILQGAGENS-DLBZAZTESA-N 0 3 300.402 3.004 20 30 DGEDHN C=C(C)[C@H](NC[C@@H](O)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000190009833 432112782 /nfs/dbraw/zinc/11/27/82/432112782.db2.gz SLNSGWYXEBYNMG-GWCFXTLKSA-N 0 3 309.278 3.485 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458890251 243190601 /nfs/dbraw/zinc/19/06/01/243190601.db2.gz JUVFMSGJSCCIDG-INIZCTEOSA-N 0 3 321.490 3.229 20 30 DGEDHN CC(C)OC1CC(N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000459310625 243330878 /nfs/dbraw/zinc/33/08/78/243330878.db2.gz WNYDZPZHZBTJDB-UHFFFAOYSA-N 0 3 313.445 3.026 20 30 DGEDHN COCCN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000268682420 432118895 /nfs/dbraw/zinc/11/88/95/432118895.db2.gz MQOVFIIJKPQGEY-JXFKEZNVSA-N 0 3 324.424 3.301 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C[C@H]1CCCN(C)C1)c1ccccc1 ZINC000275121997 212133656 /nfs/dbraw/zinc/13/36/56/212133656.db2.gz IAFXUUNFGDXUGQ-FUHWJXTLSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468474662 244045733 /nfs/dbraw/zinc/04/57/33/244045733.db2.gz HGQSNAOUQURZEI-QGZVFWFLSA-N 0 3 316.445 3.102 20 30 DGEDHN CC(C#N)C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000469115178 244084530 /nfs/dbraw/zinc/08/45/30/244084530.db2.gz XFNXSFCHFGAATR-LLVKDONJSA-N 0 3 321.218 3.494 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000470870556 244192599 /nfs/dbraw/zinc/19/25/99/244192599.db2.gz YZDTUINVBSOMCQ-AWEZNQCLSA-N 0 3 320.864 3.384 20 30 DGEDHN C[C@H]1C[C@H](O)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000471809980 244250093 /nfs/dbraw/zinc/25/00/93/244250093.db2.gz NEMKLUYXCLRCQJ-KXBFYZLASA-N 0 3 322.408 3.092 20 30 DGEDHN COCCN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000268682422 432119866 /nfs/dbraw/zinc/11/98/66/432119866.db2.gz MQOVFIIJKPQGEY-OXJNMPFZSA-N 0 3 324.424 3.301 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)NC1CCC(C)CC1 ZINC000329560980 299401312 /nfs/dbraw/zinc/40/13/12/299401312.db2.gz JBCFEYHBIBBSAK-CBNMCHAISA-N 0 3 308.466 3.313 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000472749671 244313158 /nfs/dbraw/zinc/31/31/58/244313158.db2.gz LCOATKKHRGVGQO-HXUWFJFHSA-N 0 3 324.468 3.285 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(N)ccc1C)C(C)C ZINC000262398439 203283250 /nfs/dbraw/zinc/28/32/50/203283250.db2.gz QSLNUPPITIBGAH-SFHVURJKSA-N 0 3 315.461 3.006 20 30 DGEDHN COC(=O)CC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487411983 245058129 /nfs/dbraw/zinc/05/81/29/245058129.db2.gz LRZNOOFATCEGQT-UHFFFAOYSA-N 0 3 314.429 3.263 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](CC)N(C)C ZINC000268705724 432122710 /nfs/dbraw/zinc/12/27/10/432122710.db2.gz BPMXKYNITAOBPK-GFCCVEGCSA-N 0 3 300.855 3.256 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCC[C@@H]1C ZINC000487995614 245133802 /nfs/dbraw/zinc/13/38/02/245133802.db2.gz AYJDVJNHGQJCDE-WMLDXEAASA-N 0 3 302.418 3.204 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C(C)C)C1CC1)C(C)C ZINC000489279348 245287372 /nfs/dbraw/zinc/28/73/72/245287372.db2.gz QRYKMCGPTJWZLY-KRWDZBQOSA-N 0 3 307.482 3.267 20 30 DGEDHN COc1ccc(CN(C)CCOc2ccccc2C#N)cc1C ZINC000489362076 245298425 /nfs/dbraw/zinc/29/84/25/245298425.db2.gz NOQPTNYLHMTXAS-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN COc1ccc(CN(C[C@H](O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000268704833 432123895 /nfs/dbraw/zinc/12/38/95/432123895.db2.gz SCEOSMJPDLZQJV-FQEVSTJZSA-N 0 3 322.408 3.265 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000489961257 245366351 /nfs/dbraw/zinc/36/63/51/245366351.db2.gz GPHUPQSISSQHQQ-IBGZPJMESA-N 0 3 321.424 3.305 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(O)c(OCC)c2)cc1 ZINC000264931094 204278910 /nfs/dbraw/zinc/27/89/10/204278910.db2.gz AVMWQKQATOQVRX-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H](O)c2ccc(C)cc2)cc1 ZINC000264998081 204331180 /nfs/dbraw/zinc/33/11/80/204331180.db2.gz YWTXXCVDOGTCEI-HXUWFJFHSA-N 0 3 309.409 3.220 20 30 DGEDHN CN(CCc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000264999811 204332935 /nfs/dbraw/zinc/33/29/35/204332935.db2.gz DQXZPWZJXWGEDN-UHFFFAOYSA-N 0 3 304.397 3.119 20 30 DGEDHN CCC(CC)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000126143689 284295514 /nfs/dbraw/zinc/29/55/14/284295514.db2.gz ZGVIITIIIFEJLM-UHFFFAOYSA-N 0 3 315.461 3.275 20 30 DGEDHN COCCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000127289732 284333674 /nfs/dbraw/zinc/33/36/74/284333674.db2.gz VSTSZAXNPAQASN-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000271684219 209124366 /nfs/dbraw/zinc/12/43/66/209124366.db2.gz PKQURFUVMSGDHO-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN COc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1C#N ZINC000266166884 205151835 /nfs/dbraw/zinc/15/18/35/205151835.db2.gz PQJXPYLGIUKTNB-SFHVURJKSA-N 0 3 310.397 3.170 20 30 DGEDHN C=CCOCCCC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000266274921 205232349 /nfs/dbraw/zinc/23/23/49/205232349.db2.gz RJWRXHDWKBLJMY-INIZCTEOSA-N 0 3 324.490 3.230 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000135140076 335019175 /nfs/dbraw/zinc/01/91/75/335019175.db2.gz OOLSCWFYDOERGN-HNAYVOBHSA-N 0 3 315.461 3.326 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000135140126 335019474 /nfs/dbraw/zinc/01/94/74/335019474.db2.gz OOLSCWFYDOERGN-BEFAXECRSA-N 0 3 315.461 3.326 20 30 DGEDHN C#CC[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000492610061 245756771 /nfs/dbraw/zinc/75/67/71/245756771.db2.gz RIJLNJASCIINMM-ZBFHGGJFSA-N 0 3 302.418 3.254 20 30 DGEDHN C=CCN1CC[C@@H](NCC2(c3cccs3)CCCCC2)C1=O ZINC000493601532 246020314 /nfs/dbraw/zinc/02/03/14/246020314.db2.gz IMEYNQMNZFDUIW-OAHLLOKOSA-N 0 3 318.486 3.327 20 30 DGEDHN C=CCN1CC[C@H](NCC2(c3cccc(C)c3)CCCC2)C1=O ZINC000493705466 246045522 /nfs/dbraw/zinc/04/55/22/246045522.db2.gz HYJPBAIGPYAPDY-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000495173533 246242643 /nfs/dbraw/zinc/24/26/43/246242643.db2.gz KHZWDVORFOCFAV-ZWKOTPCHSA-N 0 3 315.461 3.348 20 30 DGEDHN C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000495603563 246285617 /nfs/dbraw/zinc/28/56/17/246285617.db2.gz MJNIGCQACFOLDO-GFCCVEGCSA-N 0 3 321.396 3.090 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(OC)c1)C(C)C ZINC000496013904 246342345 /nfs/dbraw/zinc/34/23/45/246342345.db2.gz KZRKQGVWFKVGNC-SFHVURJKSA-N 0 3 316.445 3.124 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1C)C(C)C ZINC000496012721 246341599 /nfs/dbraw/zinc/34/15/99/246341599.db2.gz DZUBDJVVDSMNJZ-GOSISDBHSA-N 0 3 300.446 3.423 20 30 DGEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(N2CCOC2=O)c1 ZINC000496205545 246366532 /nfs/dbraw/zinc/36/65/32/246366532.db2.gz IMDICPZMWBUMEB-ZDUSSCGKSA-N 0 3 301.390 3.234 20 30 DGEDHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCC(C#N)CC1 ZINC000496094190 246352132 /nfs/dbraw/zinc/35/21/32/246352132.db2.gz QCXDWGFOOHNAJC-OAHLLOKOSA-N 0 3 309.454 3.019 20 30 DGEDHN N#Cc1cccc(CNCCOc2ccc(C(F)(F)F)cn2)c1 ZINC000152206282 284605944 /nfs/dbraw/zinc/60/59/44/284605944.db2.gz WMDLESVQDAQANG-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN C=CCC(CC=C)C(=O)NCc1ccccc1OCCN(C)C ZINC000268210519 206545561 /nfs/dbraw/zinc/54/55/61/206545561.db2.gz QFRVQBROYQCLOI-UHFFFAOYSA-N 0 3 316.445 3.012 20 30 DGEDHN CC(C)CCOCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963492 194058568 /nfs/dbraw/zinc/05/85/68/194058568.db2.gz NEODBHYEHPWNJM-UHFFFAOYSA-N 0 3 316.445 3.464 20 30 DGEDHN C#CCSCCN[C@H](C)c1cc(Br)ncc1F ZINC000273877815 211136342 /nfs/dbraw/zinc/13/63/42/211136342.db2.gz QEYCQYOYHYFXGV-SECBINFHSA-N 0 3 317.227 3.000 20 30 DGEDHN COc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cc1C ZINC000268684373 206893478 /nfs/dbraw/zinc/89/34/78/206893478.db2.gz NEBWUMRAIMTAAY-SFHVURJKSA-N 0 3 310.397 3.041 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000269052121 207199660 /nfs/dbraw/zinc/19/96/60/207199660.db2.gz SGCTWMRYZMWVJI-UXHICEINSA-N 0 3 321.424 3.168 20 30 DGEDHN CCCCNC(=O)[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249407366 285072312 /nfs/dbraw/zinc/07/23/12/285072312.db2.gz XBVOGBDFOPQPNJ-CRAIPNDOSA-N 0 3 313.445 3.248 20 30 DGEDHN CCN(CC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@H]1C ZINC000249431658 285073897 /nfs/dbraw/zinc/07/38/97/285073897.db2.gz ZHEDGKXWKJBOQU-OCCSQVGLSA-N 0 3 305.447 3.459 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCC[C@@H]1OC(F)F ZINC000337399476 253107127 /nfs/dbraw/zinc/10/71/27/253107127.db2.gz JWAYCWDCIGRJFH-HIFRSBDPSA-N 0 3 310.344 3.207 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2cccc(C#N)c2F)C1 ZINC000338186343 253238880 /nfs/dbraw/zinc/23/88/80/253238880.db2.gz AHAAQKHAXHAEKR-ZSGPHXLJSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@]1(NCc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000120237377 195126009 /nfs/dbraw/zinc/12/60/09/195126009.db2.gz XIRWAPKTRXTBRT-FQEVSTJZSA-N 0 3 322.408 3.406 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435754435 533110198 /nfs/dbraw/zinc/11/01/98/533110198.db2.gz WWGLXMXAGJQUPF-DTWKUNHWSA-N 0 3 317.336 3.028 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000357787197 533110273 /nfs/dbraw/zinc/11/02/73/533110273.db2.gz GKMKGLZRAATUOA-GXFFZTMASA-N 0 3 307.191 3.272 20 30 DGEDHN COc1ccc([C@@H](CN2CCCC2)Nc2ncccc2C#N)cc1 ZINC000302040581 533122158 /nfs/dbraw/zinc/12/21/58/533122158.db2.gz HUEXENQQPUDIMM-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN COc1ccccc1[C@@H](CNCc1ccc(C#N)s1)N(C)C ZINC000343082119 254096879 /nfs/dbraw/zinc/09/68/79/254096879.db2.gz XIRRCQVAYZIZRN-MRXNPFEDSA-N 0 3 315.442 3.021 20 30 DGEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1-n1cncn1 ZINC000343154327 254107476 /nfs/dbraw/zinc/10/74/76/254107476.db2.gz QOYQUVWUYPDQLN-OAHLLOKOSA-N 0 3 317.396 3.298 20 30 DGEDHN CC[C@H](CNCc1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000343192690 254112394 /nfs/dbraw/zinc/11/23/94/254112394.db2.gz OFFQXZACPCRAAI-QGZVFWFLSA-N 0 3 309.413 3.078 20 30 DGEDHN Cc1ccnc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000343430637 254142288 /nfs/dbraw/zinc/14/22/88/254142288.db2.gz DLMSXGJDWLFJNI-NVXWUHKLSA-N 0 3 306.413 3.337 20 30 DGEDHN COc1ccc(CCNCc2ccc(C#N)cc2F)c(OC)c1 ZINC000343851091 254196297 /nfs/dbraw/zinc/19/62/97/254196297.db2.gz LQTDBVMHIIUICR-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN COc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000344133812 254229686 /nfs/dbraw/zinc/22/96/86/254229686.db2.gz YGESBBPQWQRXPN-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000344160403 254233414 /nfs/dbraw/zinc/23/34/14/254233414.db2.gz HROXQPJUPGLJBD-OAHLLOKOSA-N 0 3 310.401 3.476 20 30 DGEDHN CN(c1ccc(NCc2ccc(C#N)o2)cc1)C1CCN(C)CC1 ZINC000156968242 197153462 /nfs/dbraw/zinc/15/34/62/197153462.db2.gz NVGSFPBNUPUEDL-UHFFFAOYSA-N 0 3 324.428 3.294 20 30 DGEDHN C=CCN(C(=O)Nc1ccc(C)cc1OCCN(C)C)C1CC1 ZINC000271507030 208966942 /nfs/dbraw/zinc/96/69/42/208966942.db2.gz JVBXSDMQDPXCMF-UHFFFAOYSA-N 0 3 317.433 3.118 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153345827 533186668 /nfs/dbraw/zinc/18/66/68/533186668.db2.gz PWBADESSHSNGMG-YESZJQIVSA-N 0 3 311.429 3.054 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCN(c2ccccc2)CC1 ZINC000120677946 195214678 /nfs/dbraw/zinc/21/46/78/195214678.db2.gz GQDCDGJHUPJDKL-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN C[C@@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(C#N)cc1 ZINC000271614769 209062182 /nfs/dbraw/zinc/06/21/82/209062182.db2.gz BSNHBKDRKOANSR-KDOFPFPSSA-N 0 3 321.380 3.234 20 30 DGEDHN C[C@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(C#N)cc1 ZINC000271614772 209062231 /nfs/dbraw/zinc/06/22/31/209062231.db2.gz BSNHBKDRKOANSR-KSSFIOAISA-N 0 3 321.380 3.234 20 30 DGEDHN COCCOCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000289699240 221163226 /nfs/dbraw/zinc/16/32/26/221163226.db2.gz KPRQUFHYHSGQNI-UHFFFAOYSA-N 0 3 310.397 3.011 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC(C2CCOCC2)CC1 ZINC000121574890 195308257 /nfs/dbraw/zinc/30/82/57/195308257.db2.gz FOTJSTQQUWQOMY-UHFFFAOYSA-N 0 3 314.429 3.205 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccs1 ZINC000348017418 533236880 /nfs/dbraw/zinc/23/68/80/533236880.db2.gz RAYIPDMDTAZRIP-IUODEOHRSA-N 0 3 309.394 3.179 20 30 DGEDHN COc1ccc2c(c1)CN(C(=O)C(C)C#N)[C@H](c1ccccc1)C2 ZINC000346082239 533259941 /nfs/dbraw/zinc/25/99/41/533259941.db2.gz QHHDFDUCIGDNEC-KUHUBIRLSA-N 0 3 320.392 3.481 20 30 DGEDHN COc1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1OC ZINC000330968190 533383970 /nfs/dbraw/zinc/38/39/70/533383970.db2.gz LVBNLEVDEHMOKO-UHFFFAOYSA-N 0 3 320.433 3.130 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000295662011 533497321 /nfs/dbraw/zinc/49/73/21/533497321.db2.gz AWYZDVRJLCFYDW-NXHRZFHOSA-N 0 3 312.413 3.004 20 30 DGEDHN Cc1nccc([C@@H]2CCCN(CCc3ccc(C#N)cc3)C2)n1 ZINC000595293184 400119419 /nfs/dbraw/zinc/11/94/19/400119419.db2.gz GYGGTCBYXKXUDA-GOSISDBHSA-N 0 3 306.413 3.079 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000584689083 400088586 /nfs/dbraw/zinc/08/85/86/400088586.db2.gz XHKPVTZUARGDJR-GJZGRUSLSA-N 0 3 317.481 3.041 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(C#N)cc1F ZINC000595061509 400095068 /nfs/dbraw/zinc/09/50/68/400095068.db2.gz OMOHUGXCQLLUAI-OVXMFMJOSA-N 0 3 308.422 3.038 20 30 DGEDHN C[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)(C)C1 ZINC000584760407 400098933 /nfs/dbraw/zinc/09/89/33/400098933.db2.gz ORXBWTIBGCKFSY-RHSMWYFYSA-N 0 3 311.429 3.174 20 30 DGEDHN C[C@@H](N[C@@H](C)CN1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000595091681 400102858 /nfs/dbraw/zinc/10/28/58/400102858.db2.gz SBCDAQYPHQRAAH-LSDHHAIUSA-N 0 3 303.425 3.468 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1nccc(C)c1[N+](=O)[O-])C(C)C ZINC000303709147 400110989 /nfs/dbraw/zinc/11/09/89/400110989.db2.gz PMRGJNSAWTZIBZ-OAHLLOKOSA-N 0 3 318.421 3.409 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000303792742 400115107 /nfs/dbraw/zinc/11/51/07/400115107.db2.gz VELNQZHMJSRWRE-ZWKOTPCHSA-N 0 3 312.457 3.373 20 30 DGEDHN CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000008002931 400115849 /nfs/dbraw/zinc/11/58/49/400115849.db2.gz HCGDKSXAOMAXKF-ROUUACIJSA-N 0 3 301.434 3.028 20 30 DGEDHN CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000008002935 400116202 /nfs/dbraw/zinc/11/62/02/400116202.db2.gz HCGDKSXAOMAXKF-ZWKOTPCHSA-N 0 3 301.434 3.028 20 30 DGEDHN CC[C@H](CC(F)F)CN1CCN(c2ccccc2C#N)CC1 ZINC000595301818 400123652 /nfs/dbraw/zinc/12/36/52/400123652.db2.gz QLMLPRINVPEPTQ-CQSZACIVSA-N 0 3 307.388 3.362 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000066854603 400126734 /nfs/dbraw/zinc/12/67/34/400126734.db2.gz LAHFICTYUJZOFD-MDZRGWNJSA-N 0 3 315.461 3.165 20 30 DGEDHN N#Cc1ccc(CCN2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000595384637 400137729 /nfs/dbraw/zinc/13/77/29/400137729.db2.gz LQHDOHBEBXESMK-UHFFFAOYSA-N 0 3 302.381 3.076 20 30 DGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc(C(C)(C)C)ccc1C#N ZINC000588071887 400186523 /nfs/dbraw/zinc/18/65/23/400186523.db2.gz MNZHHSOGWPYINS-ZBFHGGJFSA-N 0 3 312.461 3.314 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000595445064 400151910 /nfs/dbraw/zinc/15/19/10/400151910.db2.gz IJHSZQWEIBJGSL-FQEVSTJZSA-N 0 3 304.393 3.232 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C#N)c1 ZINC000319632904 400161110 /nfs/dbraw/zinc/16/11/10/400161110.db2.gz BBZQYMRBFRXRTI-NEPJUHHUSA-N 0 3 306.369 3.140 20 30 DGEDHN COc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1C#N ZINC000595503209 400170213 /nfs/dbraw/zinc/17/02/13/400170213.db2.gz YJEZPOINHDHQEZ-INIZCTEOSA-N 0 3 307.397 3.341 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)C(=O)CCCCCC#N)c1 ZINC000588652714 400220305 /nfs/dbraw/zinc/22/03/05/400220305.db2.gz UTXBNBUVMJVZNB-UHFFFAOYSA-N 0 3 315.461 3.359 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(C2CCC2)CC1 ZINC000595661397 400221131 /nfs/dbraw/zinc/22/11/31/400221131.db2.gz ZZOGMLGVLAHPKF-UHFFFAOYSA-N 0 3 317.458 3.460 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)CCCCCC#N)CCN1Cc1ccccc1 ZINC000588771205 400229249 /nfs/dbraw/zinc/22/92/49/400229249.db2.gz DZPURMRKSUQLFP-SJLPKXTDSA-N 0 3 313.445 3.240 20 30 DGEDHN CC(=O)Nc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000601119303 400239175 /nfs/dbraw/zinc/23/91/75/400239175.db2.gz XBVKSDUTNBXPEG-LJQANCHMSA-N 0 3 305.381 3.294 20 30 DGEDHN C=CCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000595780126 400256535 /nfs/dbraw/zinc/25/65/35/400256535.db2.gz IELXLMKCMMGXDG-UHFFFAOYSA-N 0 3 317.389 3.320 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)s1 ZINC000595746569 400248749 /nfs/dbraw/zinc/24/87/49/400248749.db2.gz DDMKOYORHGZIFT-MAUKXSAKSA-N 0 3 312.438 3.218 20 30 DGEDHN COc1ccc2c(c1)CCN(CCCC1(C#N)CCOCC1)C2 ZINC000595758148 400251492 /nfs/dbraw/zinc/25/14/92/400251492.db2.gz CHRUYNLCYOKPMX-UHFFFAOYSA-N 0 3 314.429 3.154 20 30 DGEDHN C=CCN(CC(=O)NC(=O)Nc1cccc(C)c1C)C(C)(C)C ZINC000595765630 400252613 /nfs/dbraw/zinc/25/26/13/400252613.db2.gz MSBGLSOPWORZNW-UHFFFAOYSA-N 0 3 317.433 3.238 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1C2CCCC1CCC2 ZINC000610369964 400252652 /nfs/dbraw/zinc/25/26/52/400252652.db2.gz GFUBQFIZOXGYCX-UHFFFAOYSA-N 0 3 303.431 3.355 20 30 DGEDHN CC[C@@H](CN1CCCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000609839870 400195116 /nfs/dbraw/zinc/19/51/16/400195116.db2.gz FFVAVFHIWNOHME-LBPRGKRZSA-N 0 3 312.339 3.258 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000609920147 400201384 /nfs/dbraw/zinc/20/13/84/400201384.db2.gz NOOJTQMHXQOJDK-HXFLIBJXSA-N 0 3 316.245 3.172 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)CCCCCC#N)N(C)C)cc1 ZINC000588250380 400205771 /nfs/dbraw/zinc/20/57/71/400205771.db2.gz IIRPPBAOFXHERB-GOSISDBHSA-N 0 3 315.461 3.442 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC#N ZINC000601025515 400206265 /nfs/dbraw/zinc/20/62/65/400206265.db2.gz KKBFXPBOJSOQII-QGZVFWFLSA-N 0 3 313.445 3.137 20 30 DGEDHN C=CCCCCCN1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595621922 400211444 /nfs/dbraw/zinc/21/14/44/400211444.db2.gz RRNIMCYJNRHGNS-OLZOCXBDSA-N 0 3 307.356 3.406 20 30 DGEDHN C=CCCC[C@H](C)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595628040 400212464 /nfs/dbraw/zinc/21/24/64/400212464.db2.gz UUUKHQWMRUQQJY-XQQFMLRXSA-N 0 3 307.356 3.405 20 30 DGEDHN C=CCCCCCN(C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000610079913 400213008 /nfs/dbraw/zinc/21/30/08/400213008.db2.gz WTWANSZKAOWJQV-CVEARBPZSA-N 0 3 323.481 3.069 20 30 DGEDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)Cc1ccccc1 ZINC000067948584 400218809 /nfs/dbraw/zinc/21/88/09/400218809.db2.gz WFMVNONZOHFFLU-KRWDZBQOSA-N 0 3 324.384 3.051 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC000589162595 400266981 /nfs/dbraw/zinc/26/69/81/400266981.db2.gz OEQHLTXHLRYFBD-BPNCWPANSA-N 0 3 300.324 3.157 20 30 DGEDHN Cc1ccccc1CN1CCC(Nc2cnccc2C#N)CC1 ZINC000094138291 400269225 /nfs/dbraw/zinc/26/92/25/400269225.db2.gz JNWQIRSRCARFCX-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN Cc1oc(NC(=O)[C@@H](C)NC2(CC(C)C)CC2)c(C#N)c1C ZINC000595832279 400273919 /nfs/dbraw/zinc/27/39/19/400273919.db2.gz WAHSYWLDMIRPJC-GFCCVEGCSA-N 0 3 303.406 3.263 20 30 DGEDHN CC(C)CC1(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000595832231 400274885 /nfs/dbraw/zinc/27/48/85/400274885.db2.gz UNUJPLINYMAZCT-INIZCTEOSA-N 0 3 313.445 3.490 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C2CCC2)C1 ZINC000595837688 400277074 /nfs/dbraw/zinc/27/70/74/400277074.db2.gz QYDOGWSARHHKPH-WBVHZDCISA-N 0 3 317.477 3.230 20 30 DGEDHN COC(=O)c1cccc(CN(CCC2CC2)CC2CC2)c1C#N ZINC000595872301 400283885 /nfs/dbraw/zinc/28/38/85/400283885.db2.gz UXFWEBGLWNBHDC-UHFFFAOYSA-N 0 3 312.413 3.357 20 30 DGEDHN N#CC[C@@H]1CCCN(CCOc2ccc(Br)cc2)C1 ZINC000397848442 400287356 /nfs/dbraw/zinc/28/73/56/400287356.db2.gz QWLPTQWKOXOMSS-ZDUSSCGKSA-N 0 3 323.234 3.454 20 30 DGEDHN C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000595958768 400296674 /nfs/dbraw/zinc/29/66/74/400296674.db2.gz HYHUNALPYDLYII-MJGOQNOKSA-N 0 3 313.445 3.021 20 30 DGEDHN C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595958766 400296998 /nfs/dbraw/zinc/29/69/98/400296998.db2.gz HYHUNALPYDLYII-HKUYNNGSSA-N 0 3 313.445 3.021 20 30 DGEDHN C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)[C@@H](N)c1ccccc1 ZINC000595959156 400297496 /nfs/dbraw/zinc/29/74/96/400297496.db2.gz AKZZKDCGLXUSRL-RDTXWAMCSA-N 0 3 321.424 3.246 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000102846131 400304129 /nfs/dbraw/zinc/30/41/29/400304129.db2.gz CWFVUUGDAMXAJB-SFHVURJKSA-N 0 3 307.397 3.123 20 30 DGEDHN N#Cc1ccccc1OCCN1CC[C@@H](Nc2ccccc2)C1 ZINC000102846159 400304304 /nfs/dbraw/zinc/30/43/04/400304304.db2.gz AOXNJWXTUUIXCK-GOSISDBHSA-N 0 3 307.397 3.123 20 30 DGEDHN C[C@@H](CNc1nc2ncccc2cc1C#N)N1CCCC[C@@H]1C ZINC000596073912 400309579 /nfs/dbraw/zinc/30/95/79/400309579.db2.gz MROLWFAUYQOIFL-KBPBESRZSA-N 0 3 309.417 3.176 20 30 DGEDHN C[C@@H](CNc1nc2ncccc2cc1C#N)N1CCC[C@H](C)C1 ZINC000596079084 400310916 /nfs/dbraw/zinc/31/09/16/400310916.db2.gz YGVVUKHMQLSHEJ-KBPBESRZSA-N 0 3 309.417 3.034 20 30 DGEDHN N#CCN1CCC(N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000610813640 400311099 /nfs/dbraw/zinc/31/10/99/400311099.db2.gz NIGBXSTZCGUVBZ-QGZVFWFLSA-N 0 3 311.429 3.010 20 30 DGEDHN N#Cc1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1F ZINC000595786534 400260039 /nfs/dbraw/zinc/26/00/39/400260039.db2.gz BBXSJWBLBYIOCU-QAPCUYQASA-N 0 3 302.393 3.478 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611388314 400389888 /nfs/dbraw/zinc/38/98/88/400389888.db2.gz ZVPJKFJPDIHQLT-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC(C)(C)[C@@H]1C1CC1 ZINC000578229727 400326641 /nfs/dbraw/zinc/32/66/41/400326641.db2.gz IYXQXKOKHJIVRP-MJGOQNOKSA-N 0 3 315.457 3.275 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000030532667 400328080 /nfs/dbraw/zinc/32/80/80/400328080.db2.gz LBCLJFBSNFIMSZ-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578447817 400329587 /nfs/dbraw/zinc/32/95/87/400329587.db2.gz WSJHATRPKORPMD-PBHICJAKSA-N 0 3 321.852 3.041 20 30 DGEDHN COc1ccc(C[C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000610993757 400335847 /nfs/dbraw/zinc/33/58/47/400335847.db2.gz HOTSUMCHJUJDBM-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCOc1cccc(NC(=O)N2CCCN(C(C)C)CC2)c1 ZINC000069656585 400338111 /nfs/dbraw/zinc/33/81/11/400338111.db2.gz WTEKWZCDUKLZMC-UHFFFAOYSA-N 0 3 317.433 3.199 20 30 DGEDHN CN(C)[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611390158 400391441 /nfs/dbraw/zinc/39/14/41/400391441.db2.gz GQULHUVUWMADLM-ROUUACIJSA-N 0 3 309.413 3.421 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccccc3C3CC3)C2)nc1 ZINC000590053441 400350661 /nfs/dbraw/zinc/35/06/61/400350661.db2.gz ZAXQOTPSESYCNG-SFHVURJKSA-N 0 3 319.408 3.484 20 30 DGEDHN CC(C)(CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000590052965 400351122 /nfs/dbraw/zinc/35/11/22/400351122.db2.gz FLEFTCCSNLLMNM-SFHVURJKSA-N 0 3 321.424 3.384 20 30 DGEDHN C=CC[C@H](C)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000117050430 400414166 /nfs/dbraw/zinc/41/41/66/400414166.db2.gz HKLJVSQFEOFHCM-LSDHHAIUSA-N 0 3 303.450 3.380 20 30 DGEDHN COc1ccc(OCCN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000611465443 400405971 /nfs/dbraw/zinc/40/59/71/400405971.db2.gz VIYCJXQVHAMFGP-CYBMUJFWSA-N 0 3 314.360 3.436 20 30 DGEDHN N#Cc1cc(F)ccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596440435 400415693 /nfs/dbraw/zinc/41/56/93/400415693.db2.gz KSFSTCLHTLTAMZ-UHFFFAOYSA-N 0 3 324.403 3.416 20 30 DGEDHN CC(C)N1CC[C@H](N(C)c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000590738471 400426423 /nfs/dbraw/zinc/42/64/23/400426423.db2.gz QNMSLFULMJATOJ-HNNXBMFYSA-N 0 3 300.450 3.170 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000043086141 400452279 /nfs/dbraw/zinc/45/22/79/400452279.db2.gz FCVYTMGBJKXZMM-HOTGVXAUSA-N 0 3 316.445 3.244 20 30 DGEDHN N#CCN1CCC(NCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000617790287 400455898 /nfs/dbraw/zinc/45/58/98/400455898.db2.gz ULNNEHPGTHHDHV-UHFFFAOYSA-N 0 3 316.207 3.210 20 30 DGEDHN Cc1ccc([C@H]2OCCC[C@@H]2NCc2cccc(C#N)n2)cc1 ZINC000602574188 400501758 /nfs/dbraw/zinc/50/17/58/400501758.db2.gz YAHWQYOYVHLZFX-RBUKOAKNSA-N 0 3 307.397 3.272 20 30 DGEDHN C[C@H](CNC(=O)CC1(C#N)CCCCC1)N1CCCC[C@@H]1C ZINC000596796441 400502157 /nfs/dbraw/zinc/50/21/57/400502157.db2.gz FKITXWIXFVBBDD-JKSUJKDBSA-N 0 3 305.466 3.230 20 30 DGEDHN COCCCCN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602454572 400467147 /nfs/dbraw/zinc/46/71/47/400467147.db2.gz NRNWCIFDFJIWCC-UHFFFAOYSA-N 0 3 309.413 3.382 20 30 DGEDHN C[C@H](CCC#N)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000602462572 400468434 /nfs/dbraw/zinc/46/84/34/400468434.db2.gz HTAPBTFVQBGICF-SJLPKXTDSA-N 0 3 313.445 3.211 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@H]1SC ZINC000590964548 400470748 /nfs/dbraw/zinc/47/07/48/400470748.db2.gz IWQBNMXCVMIAQD-RBSFLKMASA-N 0 3 310.850 3.210 20 30 DGEDHN CCCC(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000591010983 400475129 /nfs/dbraw/zinc/47/51/29/400475129.db2.gz TYBDQLSYHINTIR-UHFFFAOYSA-N 0 3 305.466 3.231 20 30 DGEDHN CCO[C@H]1C[C@H](O)C12CCN(CCC1(C#N)CCCCC1)CC2 ZINC000591014913 400476058 /nfs/dbraw/zinc/47/60/58/400476058.db2.gz JOQNXTSYZXWPMP-IRXDYDNUSA-N 0 3 320.477 3.102 20 30 DGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](O)C1CC1 ZINC000591016396 400476084 /nfs/dbraw/zinc/47/60/84/400476084.db2.gz ITTJSPOZOURKOW-HXUWFJFHSA-N 0 3 306.409 3.428 20 30 DGEDHN CC(C)[C@H](NCCC1(C#N)CCCCC1)C(=O)N1CCCC1 ZINC000591023325 400476988 /nfs/dbraw/zinc/47/69/88/400476988.db2.gz AOFDISZISUJKCH-INIZCTEOSA-N 0 3 305.466 3.087 20 30 DGEDHN C=CCOc1cccc(CN2CCC(CCC(=O)OC)CC2)c1 ZINC000124920570 400479499 /nfs/dbraw/zinc/47/94/99/400479499.db2.gz RFZKBPREFCLHII-UHFFFAOYSA-N 0 3 317.429 3.417 20 30 DGEDHN N#Cc1cccc(CN[C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000602534692 400491137 /nfs/dbraw/zinc/49/11/37/400491137.db2.gz JHBAWYWFVIUQRS-HXUWFJFHSA-N 0 3 320.440 3.270 20 30 DGEDHN N#CC1(CC(=O)N2CCCc3cccc(CN)c32)CCCCC1 ZINC000602539045 400491856 /nfs/dbraw/zinc/49/18/56/400491856.db2.gz APJACWQJEFZEEM-UHFFFAOYSA-N 0 3 311.429 3.289 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618352581 400571849 /nfs/dbraw/zinc/57/18/49/400571849.db2.gz QWLPVKLBHHBDND-AZUAARDMSA-N 0 3 314.473 3.364 20 30 DGEDHN Cc1ccccc1[C@@H]([C@H](C)NCc1cccc(C#N)n1)N(C)C ZINC000602625141 400515437 /nfs/dbraw/zinc/51/54/37/400515437.db2.gz DPAGLMLGTVYUSK-HNAYVOBHSA-N 0 3 308.429 3.043 20 30 DGEDHN CO[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000602641914 400520993 /nfs/dbraw/zinc/52/09/93/400520993.db2.gz VBMMMRSFGJBCBY-UYAOXDASSA-N 0 3 306.409 3.393 20 30 DGEDHN COc1ccccc1-c1noc([C@H](C)NC[C@H](C)CCC#N)n1 ZINC000602649647 400523876 /nfs/dbraw/zinc/52/38/76/400523876.db2.gz YJAHULNUTWUYEF-OLZOCXBDSA-N 0 3 314.389 3.336 20 30 DGEDHN COc1ccc(CN[C@@H](C)CSC)cc1OCCCC#N ZINC000130731397 400542929 /nfs/dbraw/zinc/54/29/29/400542929.db2.gz VPVQJGZJIRAAOM-ZDUSSCGKSA-N 0 3 308.447 3.219 20 30 DGEDHN COc1cc2c(cc1OC)[C@@H](N1CCC[C@@H](CC#N)C1)CC2 ZINC000602710075 400548429 /nfs/dbraw/zinc/54/84/29/400548429.db2.gz XFWJXRXTQRQMQL-BBRMVZONSA-N 0 3 300.402 3.317 20 30 DGEDHN COCc1csc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602709741 400548543 /nfs/dbraw/zinc/54/85/43/400548543.db2.gz IVVZCIUXBDHEOL-ZDUSSCGKSA-N 0 3 308.447 3.083 20 30 DGEDHN C=CCCSCCNCc1ccccc1N1CCO[C@H](C)C1 ZINC000597184297 400580052 /nfs/dbraw/zinc/58/00/52/400580052.db2.gz IZEURTFUIQUHDI-MRXNPFEDSA-N 0 3 320.502 3.311 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCCC(=O)Nc1ccccc1 ZINC000591763838 400554492 /nfs/dbraw/zinc/55/44/92/400554492.db2.gz MKFANSYUTYZVAD-SFHVURJKSA-N 0 3 305.381 3.164 20 30 DGEDHN COC[C@H](C)Oc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000597084158 400555627 /nfs/dbraw/zinc/55/56/27/400555627.db2.gz ZLTKMNLYUPCOSF-HNNXBMFYSA-N 0 3 302.418 3.226 20 30 DGEDHN N#Cc1cnn2cc(CN3CCCC4(CCCC4)CC3)cnc12 ZINC000597185543 400580592 /nfs/dbraw/zinc/58/05/92/400580592.db2.gz XKCUCUKNOWFVJB-UHFFFAOYSA-N 0 3 309.417 3.147 20 30 DGEDHN N#CCC1(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CC1 ZINC000602767603 400569407 /nfs/dbraw/zinc/56/94/07/400569407.db2.gz RQBDNGZESRJDRW-UHFFFAOYSA-N 0 3 323.440 3.237 20 30 DGEDHN C[C@H](CN1CC[C@@](O)(CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000592152883 400614058 /nfs/dbraw/zinc/61/40/58/400614058.db2.gz GDMYSUCCVKBWKP-DOMZBBRYSA-N 0 3 312.335 3.159 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000602997677 400624100 /nfs/dbraw/zinc/62/41/00/400624100.db2.gz OUVXTSVFRDXIAG-OIISXLGYSA-N 0 3 304.821 3.337 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCC(F)(F)F)CC1 ZINC000592301997 400633833 /nfs/dbraw/zinc/63/38/33/400633833.db2.gz NYTNUWNXGIWSNT-UHFFFAOYSA-N 0 3 321.387 3.011 20 30 DGEDHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000075505067 400590158 /nfs/dbraw/zinc/59/01/58/400590158.db2.gz BVONHUOFMRXVLP-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C2CCC1CC2)C(C)C ZINC000612728671 400592769 /nfs/dbraw/zinc/59/27/69/400592769.db2.gz LGNGZKRPXPTBDD-OFLPRAFFSA-N 0 3 305.466 3.021 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(CC)cc2)CC1 ZINC000592068443 400602063 /nfs/dbraw/zinc/60/20/63/400602063.db2.gz IVUCANSGMPQQTG-OAHLLOKOSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000592069479 400602250 /nfs/dbraw/zinc/60/22/50/400602250.db2.gz RKHUCVRYPLFIJR-WMLDXEAASA-N 0 3 316.445 3.102 20 30 DGEDHN CC[C@@](C)(NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000602925033 400609079 /nfs/dbraw/zinc/60/90/79/400609079.db2.gz GLGBLTHOENXLOV-QZTJIDSGSA-N 0 3 319.424 3.095 20 30 DGEDHN CC(C)(C#N)CCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603142089 400648531 /nfs/dbraw/zinc/64/85/31/400648531.db2.gz BKMKLYZWAVLVND-KGLIPLIRSA-N 0 3 314.351 3.050 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000613107056 400655280 /nfs/dbraw/zinc/65/52/80/400655280.db2.gz REZTZMIOVKLUAF-WMLDXEAASA-N 0 3 313.445 3.246 20 30 DGEDHN CCCOc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000049406653 400668538 /nfs/dbraw/zinc/66/85/38/400668538.db2.gz LUFRDTXVMCDINB-INIZCTEOSA-N 0 3 309.369 3.372 20 30 DGEDHN N#Cc1ccc(NC(=O)CNC2(C3CCC3)CC2)cc1Cl ZINC000593079262 400755909 /nfs/dbraw/zinc/75/59/09/400755909.db2.gz FDUOGXBHQSRMCU-UHFFFAOYSA-N 0 3 303.793 3.072 20 30 DGEDHN CCC(CC)CN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603849873 400722612 /nfs/dbraw/zinc/72/26/12/400722612.db2.gz YPUOGRXXXBDSPJ-UHFFFAOYSA-N 0 3 307.482 3.429 20 30 DGEDHN N#Cc1cccc(CN2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000592982957 400724666 /nfs/dbraw/zinc/72/46/66/400724666.db2.gz MEICGKSOUQHICG-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000618990466 400740580 /nfs/dbraw/zinc/74/05/80/400740580.db2.gz MKMGHQXKWPADEJ-SFHVURJKSA-N 0 3 320.396 3.079 20 30 DGEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCCC1 ZINC000052873526 400751460 /nfs/dbraw/zinc/75/14/60/400751460.db2.gz NDDDLASBIHJHLW-UHFFFAOYSA-N 0 3 305.466 3.326 20 30 DGEDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051057010 400694363 /nfs/dbraw/zinc/69/43/63/400694363.db2.gz SARLAQLOQXVBJH-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN Cc1oc(NC(=O)[C@@H](C)NC2(C3CCC3)CC2)c(C#N)c1C ZINC000593079224 400756090 /nfs/dbraw/zinc/75/60/90/400756090.db2.gz DMGJJZKWFUECCE-LLVKDONJSA-N 0 3 301.390 3.017 20 30 DGEDHN CCO[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000155430203 400703354 /nfs/dbraw/zinc/70/33/54/400703354.db2.gz RYPIVJHAXWQIJW-GOSISDBHSA-N 0 3 302.418 3.370 20 30 DGEDHN CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C)C1 ZINC000592828052 400707137 /nfs/dbraw/zinc/70/71/37/400707137.db2.gz AQITZJOVIMBCDU-KRWDZBQOSA-N 0 3 313.445 3.044 20 30 DGEDHN CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000592829651 400707500 /nfs/dbraw/zinc/70/75/00/400707500.db2.gz UGIVUAKXTTVEDI-ZWKOTPCHSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC(CCc2ccccc2)CC1 ZINC000054148538 400812008 /nfs/dbraw/zinc/81/20/08/400812008.db2.gz CUBVDPGPKVUFFM-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2C3CCCC2CCC3)cc1 ZINC000619292034 400814989 /nfs/dbraw/zinc/81/49/89/400814989.db2.gz IVXJUNWIARELNH-WWDZGPRUSA-N 0 3 307.397 3.174 20 30 DGEDHN Cc1sc(NC(=O)CNC2(C3CCC3)CC2)c(C#N)c1C ZINC000593081457 400756188 /nfs/dbraw/zinc/75/61/88/400756188.db2.gz ORFIRUZBOJSQPE-UHFFFAOYSA-N 0 3 303.431 3.097 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000604393852 400772384 /nfs/dbraw/zinc/77/23/84/400772384.db2.gz IAZGXOZUHASPAB-JENIJYKNSA-N 0 3 312.457 3.454 20 30 DGEDHN CCSC1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000598327528 400785117 /nfs/dbraw/zinc/78/51/17/400785117.db2.gz GXFJCHFALAFLFC-HNNXBMFYSA-N 0 3 302.443 3.161 20 30 DGEDHN CC1(C)[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1(F)F ZINC000598341283 400790047 /nfs/dbraw/zinc/79/00/47/400790047.db2.gz RUNSDUQCJMAHGP-KGLIPLIRSA-N 0 3 306.356 3.166 20 30 DGEDHN CN(CCNc1snc(Cl)c1C#N)Cc1ccccc1 ZINC000053582809 400791784 /nfs/dbraw/zinc/79/17/84/400791784.db2.gz YCIYDMUYMCYWEJ-UHFFFAOYSA-N 0 3 306.822 3.212 20 30 DGEDHN CC[C@@H](C)N[C@H](CNC(=O)c1cscc1C#N)c1ccco1 ZINC000598736052 400870244 /nfs/dbraw/zinc/87/02/44/400870244.db2.gz XIIWMUPSGLFYKU-BXUZGUMPSA-N 0 3 317.414 3.072 20 30 DGEDHN CC(C)(C)C[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000179711445 400879632 /nfs/dbraw/zinc/87/96/32/400879632.db2.gz CKTCKFDUUAGJGE-AWEZNQCLSA-N 0 3 307.825 3.047 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000180466527 400884053 /nfs/dbraw/zinc/88/40/53/400884053.db2.gz YJPKZQPFRNCZGZ-OAHLLOKOSA-N 0 3 303.450 3.292 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605764760 400884368 /nfs/dbraw/zinc/88/43/68/400884368.db2.gz ZZQQUPSWXJWYOA-DOTOQJQBSA-N 0 3 318.436 3.428 20 30 DGEDHN CN(CCCC#N)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000054392957 400823496 /nfs/dbraw/zinc/82/34/96/400823496.db2.gz CXYQPUMTJIZJGN-UHFFFAOYSA-N 0 3 314.408 3.394 20 30 DGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598586854 400836959 /nfs/dbraw/zinc/83/69/59/400836959.db2.gz JGINMMBANFPXII-RDJZCZTQSA-N 0 3 302.418 3.133 20 30 DGEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598591921 400838834 /nfs/dbraw/zinc/83/88/34/400838834.db2.gz FSPRGCDCIGEBHE-CHWSQXEVSA-N 0 3 309.479 3.308 20 30 DGEDHN CCc1csc([C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1 ZINC000598590900 400838848 /nfs/dbraw/zinc/83/88/48/400838848.db2.gz SBJHDRRCYHINDE-ZFWWWQNUSA-N 0 3 321.490 3.186 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000598590935 400838900 /nfs/dbraw/zinc/83/89/00/400838900.db2.gz SPDRRWLUMBWADW-HNNXBMFYSA-N 0 3 308.466 3.101 20 30 DGEDHN CCc1csc([C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1 ZINC000598590899 400838927 /nfs/dbraw/zinc/83/89/27/400838927.db2.gz SBJHDRRCYHINDE-UKRRQHHQSA-N 0 3 321.490 3.186 20 30 DGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)CC(C)(C)C#N)CCC2 ZINC000598596000 400839802 /nfs/dbraw/zinc/83/98/02/400839802.db2.gz NHNGASINJRIELT-GXTWGEPZSA-N 0 3 307.463 3.062 20 30 DGEDHN CC[C@H](C#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000593417045 400843166 /nfs/dbraw/zinc/84/31/66/400843166.db2.gz JDVCPHCFNVXALN-AEFFLSMTSA-N 0 3 313.445 3.126 20 30 DGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598626342 400846904 /nfs/dbraw/zinc/84/69/04/400846904.db2.gz AKUNMVGFAUYYQU-HOCLYGCPSA-N 0 3 320.408 3.272 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCOc2c(Cl)cccc21 ZINC000598699457 400860338 /nfs/dbraw/zinc/86/03/38/400860338.db2.gz FBWIANIEIPFSEI-FZMZJTMJSA-N 0 3 308.809 3.054 20 30 DGEDHN CC[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000593479895 400860866 /nfs/dbraw/zinc/86/08/66/400860866.db2.gz KTFRDSKNJNEYPQ-KBAYOESNSA-N 0 3 313.445 3.048 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC(C)C)c1ccccc1 ZINC000181794447 400889811 /nfs/dbraw/zinc/88/98/11/400889811.db2.gz GEZUPIFBDFXCKC-WMZOPIPTSA-N 0 3 315.461 3.372 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(Nc2ccccn2)CC1 ZINC000614403363 400895288 /nfs/dbraw/zinc/89/52/88/400895288.db2.gz UVSGOYDEJFAQLU-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000606704241 400951866 /nfs/dbraw/zinc/95/18/66/400951866.db2.gz SSZDREUXNUFHPL-GOSISDBHSA-N 0 3 319.493 3.249 20 30 DGEDHN C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593704051 400895835 /nfs/dbraw/zinc/89/58/35/400895835.db2.gz YJNYONBTTCEUPX-MRXNPFEDSA-N 0 3 320.440 3.268 20 30 DGEDHN CCC(C#N)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000593735791 400901299 /nfs/dbraw/zinc/90/12/99/400901299.db2.gz XTGLVJUQHRTASV-QWHCGFSZSA-N 0 3 310.438 3.189 20 30 DGEDHN C=CCC[C@H](C)NCC(=O)Nc1ccc(Br)cc1 ZINC000185179949 400904777 /nfs/dbraw/zinc/90/47/77/400904777.db2.gz AOKZMYDRQJOCCT-NSHDSACASA-N 0 3 311.223 3.332 20 30 DGEDHN C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000619781043 400905808 /nfs/dbraw/zinc/90/58/08/400905808.db2.gz QJSQOPTUUYZTSH-JHJVBQTASA-N 0 3 319.836 3.089 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000188298502 400908074 /nfs/dbraw/zinc/90/80/74/400908074.db2.gz SWFMLEPZGCFPKG-FQEVSTJZSA-N 0 3 314.473 3.412 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCc2cccnc21 ZINC000598950333 400909878 /nfs/dbraw/zinc/90/98/78/400909878.db2.gz JNAXFSYTSVWREB-QZTJIDSGSA-N 0 3 319.408 3.000 20 30 DGEDHN C[C@@H](c1cccs1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000198865443 400935820 /nfs/dbraw/zinc/93/58/20/400935820.db2.gz NKXKGTKRRCHRCW-ZFWWWQNUSA-N 0 3 316.426 3.052 20 30 DGEDHN Cc1cc(NC[C@@H]2CCN2C2CCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000599164790 400982218 /nfs/dbraw/zinc/98/22/18/400982218.db2.gz MUOGLXAZTFVWCN-HNNXBMFYSA-N 0 3 314.389 3.204 20 30 DGEDHN CC[C@@H](C#N)N(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000594089603 400982281 /nfs/dbraw/zinc/98/22/81/400982281.db2.gz XLVYLKPVUHEUNM-KRWDZBQOSA-N 0 3 313.445 3.049 20 30 DGEDHN N#CC1(C[C@H](O)CNC(c2ccccc2)c2ccccc2)CC1 ZINC000599312221 401018903 /nfs/dbraw/zinc/01/89/03/401018903.db2.gz SLEUBMYSQKNQMU-SFHVURJKSA-N 0 3 306.409 3.420 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594046787 400962787 /nfs/dbraw/zinc/96/27/87/400962787.db2.gz SQEAJHNEDMLOIK-INIZCTEOSA-N 0 3 318.417 3.023 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000057137235 400973851 /nfs/dbraw/zinc/97/38/51/400973851.db2.gz QLHQXOVVPNZAQQ-IBGZPJMESA-N 0 3 312.457 3.235 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000057155386 400976614 /nfs/dbraw/zinc/97/66/14/400976614.db2.gz UOOSQQXACSMVPB-KRWDZBQOSA-N 0 3 318.848 3.253 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594085303 400979404 /nfs/dbraw/zinc/97/94/04/400979404.db2.gz UYANNLWBHGNHSH-IRXDYDNUSA-N 0 3 312.417 3.005 20 30 DGEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000594429866 401066638 /nfs/dbraw/zinc/06/66/38/401066638.db2.gz XLTDBPXJSOFEIN-XJKSGUPXSA-N 0 3 305.397 3.146 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000594447847 401071216 /nfs/dbraw/zinc/07/12/16/401071216.db2.gz VUSWIHTXDJTKCS-INIZCTEOSA-N 0 3 311.429 3.256 20 30 DGEDHN CC(C)(C#N)CCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599545420 401073345 /nfs/dbraw/zinc/07/33/45/401073345.db2.gz RHSYYLXIMXUXGC-TZMCWYRMSA-N 0 3 312.335 3.450 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000594224369 401027463 /nfs/dbraw/zinc/02/74/63/401027463.db2.gz IIEQCQMQQUBKBK-HNNXBMFYSA-N 0 3 321.424 3.437 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000057861431 401034399 /nfs/dbraw/zinc/03/43/99/401034399.db2.gz GUXOAQAIXDPJBZ-SFHVURJKSA-N 0 3 306.413 3.227 20 30 DGEDHN Cc1cccc(OCCN(C)CCOc2ccc(C#N)cc2)c1 ZINC000057951545 401037396 /nfs/dbraw/zinc/03/73/96/401037396.db2.gz WSGJUPMHQKNYNX-UHFFFAOYSA-N 0 3 310.397 3.256 20 30 DGEDHN Cc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1C#N ZINC000599428026 401047653 /nfs/dbraw/zinc/04/76/53/401047653.db2.gz GTDIGUMPQVRCSN-HXUWFJFHSA-N 0 3 306.409 3.003 20 30 DGEDHN N#CCc1cccc2c1CCN(CCc1ccc3c(c1)CCO3)C2 ZINC000599678300 401112004 /nfs/dbraw/zinc/11/20/04/401112004.db2.gz HLJBUWSGHPSMJU-UHFFFAOYSA-N 0 3 318.420 3.288 20 30 DGEDHN COc1ccc(OCCN2CCc3c(CC#N)cccc3C2)cc1 ZINC000599685519 401114351 /nfs/dbraw/zinc/11/43/51/401114351.db2.gz FEUYQEQKRMGJNP-UHFFFAOYSA-N 0 3 322.408 3.198 20 30 DGEDHN COc1ccc(CCN2CCc3c(CC#N)cccc3C2)cc1 ZINC000599686345 401114589 /nfs/dbraw/zinc/11/45/89/401114589.db2.gz QXSCJPKEIJOTFM-UHFFFAOYSA-N 0 3 306.409 3.362 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](CC)Cc1ccccc1 ZINC000607751390 401117310 /nfs/dbraw/zinc/11/73/10/401117310.db2.gz RWQHTYMZZNTSPP-SFHVURJKSA-N 0 3 300.446 3.140 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C)c(F)c2F)nc(C)n1 ZINC000633900323 401140911 /nfs/dbraw/zinc/14/09/11/401140911.db2.gz PCGHMUWLUZPBOV-LBPRGKRZSA-N 0 3 301.296 3.170 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccccc3NC1=O)CC2 ZINC000594510802 401088123 /nfs/dbraw/zinc/08/81/23/401088123.db2.gz LASOTZMYLGOPSX-MOPGFXCFSA-N 0 3 317.392 3.089 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1c2ccccc2C[C@@H]1O ZINC000594515273 401091934 /nfs/dbraw/zinc/09/19/34/401091934.db2.gz MDOHMCFADYFNBW-UFYCRDLUSA-N 0 3 304.393 3.184 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621157289 401099757 /nfs/dbraw/zinc/09/97/57/401099757.db2.gz SNWSZRWHTDBVMT-OAHLLOKOSA-N 0 3 304.459 3.035 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)CCC#N)c1cc(C)ccc1C ZINC000599642093 401100364 /nfs/dbraw/zinc/10/03/64/401100364.db2.gz ZTHHWISHRVPNOX-KRWDZBQOSA-N 0 3 301.434 3.106 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1conc1C(C)C)C(C)C ZINC000625557449 401155278 /nfs/dbraw/zinc/15/52/78/401155278.db2.gz NFPSKECFGQRDPL-MRXNPFEDSA-N 0 3 319.449 3.226 20 30 DGEDHN C=CCCSCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000594709821 401157376 /nfs/dbraw/zinc/15/73/76/401157376.db2.gz FQEXMOAONIAGNT-CYBMUJFWSA-N 0 3 313.488 3.050 20 30 DGEDHN Cn1ncc(C2CC2)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000594949894 401204395 /nfs/dbraw/zinc/20/43/95/401204395.db2.gz HNLQTUZBZFCKNH-GOSISDBHSA-N 0 3 306.413 3.336 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCN2Cc2ccccc2)c(F)c1 ZINC000594997702 401223869 /nfs/dbraw/zinc/22/38/69/401223869.db2.gz BCBMNCFTFAEFII-SFHVURJKSA-N 0 3 309.388 3.061 20 30 DGEDHN C[C@@H]1CC(F)(F)CCN1CC#CCN1CCC(F)(F)C[C@@H]1C ZINC000625980781 401272609 /nfs/dbraw/zinc/27/26/09/401272609.db2.gz QHIVVKIIKPNUJH-OKILXGFUSA-N 0 3 320.374 3.229 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C3CCCC2CCC3)CC1 ZINC000608426200 401246115 /nfs/dbraw/zinc/24/61/15/401246115.db2.gz WYZIAOXYQCBTBU-UHFFFAOYSA-N 0 3 305.466 3.144 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000064995262 401255049 /nfs/dbraw/zinc/25/50/49/401255049.db2.gz VHZMNIXXJILXDE-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCOCCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101891 401299339 /nfs/dbraw/zinc/29/93/39/401299339.db2.gz LBYJAUZVSMPEFP-AWEZNQCLSA-N 0 3 304.217 3.209 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CC1 ZINC000630941757 401357502 /nfs/dbraw/zinc/35/75/02/401357502.db2.gz DZDZXHUTRLFHFF-KRWDZBQOSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc3cc(O)ccc32)CC1 ZINC000630943269 401357698 /nfs/dbraw/zinc/35/76/98/401357698.db2.gz PRBXPVQIYXHIHH-UHFFFAOYSA-N 0 3 324.424 3.316 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC(C)(C)COC)cc1OC ZINC000623398762 401508274 /nfs/dbraw/zinc/50/82/74/401508274.db2.gz ODCNRLFOHRXRGP-UHFFFAOYSA-N 0 3 313.825 3.428 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCCC[C@H](C)O)cc1OC ZINC000623510077 401535485 /nfs/dbraw/zinc/53/54/85/401535485.db2.gz FVBHMJDDTOAWPK-LBPRGKRZSA-N 0 3 313.825 3.164 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)cc1OC)C(C)C ZINC000186704993 165056266 /nfs/dbraw/zinc/05/62/66/165056266.db2.gz ZMTXCHVGEFJDGD-SFHVURJKSA-N 0 3 318.417 3.024 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000192074600 165280779 /nfs/dbraw/zinc/28/07/79/165280779.db2.gz JRVDQJXPTOMKPZ-IRXDYDNUSA-N 0 3 302.393 3.477 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCC1 ZINC000190405779 432151212 /nfs/dbraw/zinc/15/12/12/432151212.db2.gz TXDBRGXOFGOPMP-KRWDZBQOSA-N 0 3 300.446 3.460 20 30 DGEDHN C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1cccc(C#N)c1 ZINC000182135796 432160194 /nfs/dbraw/zinc/16/01/94/432160194.db2.gz FFSNRVYGBXAVPZ-RHSMWYFYSA-N 0 3 300.402 3.285 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc(C)cc2C)CC1 ZINC000171721586 432164574 /nfs/dbraw/zinc/16/45/74/432164574.db2.gz SBSZCMCYHFSCLY-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000171726158 432165452 /nfs/dbraw/zinc/16/54/52/432165452.db2.gz UZAZPIPGRDVGLU-VMPITWQZSA-N 0 3 304.821 3.120 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCCC)c2)CC1 ZINC000171741576 432167462 /nfs/dbraw/zinc/16/74/62/432167462.db2.gz YYLMFBSAAQOHGJ-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1ccc(C#N)cc1F ZINC000269456773 432176434 /nfs/dbraw/zinc/17/64/34/432176434.db2.gz WYZGLXYNSLSFEE-UHFFFAOYSA-N 0 3 321.396 3.090 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCO1 ZINC000182388218 432185959 /nfs/dbraw/zinc/18/59/59/432185959.db2.gz ZSCQTPNXMNOSRC-LSDHHAIUSA-N 0 3 323.234 3.368 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000182528491 432201136 /nfs/dbraw/zinc/20/11/36/432201136.db2.gz XOSJNTYQEHYSDZ-SFHVURJKSA-N 0 3 315.461 3.349 20 30 DGEDHN CC(=O)Nc1cccc([C@@H](C)NCCOc2ccccc2C#N)c1 ZINC000182554079 432203333 /nfs/dbraw/zinc/20/33/33/432203333.db2.gz NQBMZYOCRPURTC-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN COc1ccc(CN[C@H](C)C[C@H](O)c2cccs2)cc1C#N ZINC000131032419 196134072 /nfs/dbraw/zinc/13/40/72/196134072.db2.gz GLLNTAHVEMYTIE-DOMZBBRYSA-N 0 3 316.426 3.230 20 30 DGEDHN C=C(C)CN1CCC(NCc2ccc(Br)o2)CC1 ZINC000190977889 432207827 /nfs/dbraw/zinc/20/78/27/432207827.db2.gz UACSGCQJCGJRJZ-UHFFFAOYSA-N 0 3 313.239 3.172 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2nccs2)CC1 ZINC000172396970 432210971 /nfs/dbraw/zinc/21/09/71/432210971.db2.gz UUEHHAPPMVXYHG-AWEZNQCLSA-N 0 3 312.442 3.288 20 30 DGEDHN CC[C@H](NCCSCc1ccccc1C#N)c1nccn1C ZINC000182636334 432211695 /nfs/dbraw/zinc/21/16/95/432211695.db2.gz REQGDOWCEDJZLL-INIZCTEOSA-N 0 3 314.458 3.266 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000247132102 432205038 /nfs/dbraw/zinc/20/50/38/432205038.db2.gz XFRFBTIYHXOERP-LPHOPBHVSA-N 0 3 315.461 3.324 20 30 DGEDHN N#Cc1cccc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000182698090 432218835 /nfs/dbraw/zinc/21/88/35/432218835.db2.gz XMXNUKYVYQGRIO-ROUUACIJSA-N 0 3 314.335 3.456 20 30 DGEDHN C[C@@H]1CCN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000174805120 228294227 /nfs/dbraw/zinc/29/42/27/228294227.db2.gz YEMSVHNOBVGNME-MJGOQNOKSA-N 0 3 310.445 3.026 20 30 DGEDHN Cc1nnc(NC[C@@H](c2ccccc2)N2CCCC2)c(C#N)c1C ZINC000298168275 228392214 /nfs/dbraw/zinc/39/22/14/228392214.db2.gz XXFXWMWLSOZEDP-SFHVURJKSA-N 0 3 321.428 3.214 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000185837326 228398198 /nfs/dbraw/zinc/39/81/98/228398198.db2.gz PBNRQDWBALJZAG-JQWIXIFHSA-N 0 3 313.232 3.472 20 30 DGEDHN CN(C)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F ZINC000185834990 228398413 /nfs/dbraw/zinc/39/84/13/228398413.db2.gz ZPGBQIKQBSMXBZ-WOSRLPQWSA-N 0 3 307.388 3.239 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1C ZINC000330645996 229000084 /nfs/dbraw/zinc/00/00/84/229000084.db2.gz LMJZVZUYLLHCHF-KBPBESRZSA-N 0 3 319.449 3.171 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000299253362 229008412 /nfs/dbraw/zinc/00/84/12/229008412.db2.gz ZYWKAAVUJOBZKZ-KRWDZBQOSA-N 0 3 308.385 3.052 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000330898302 229008961 /nfs/dbraw/zinc/00/89/61/229008961.db2.gz IERDAKNBHRTDRE-KOLCDFICSA-N 0 3 311.769 3.036 20 30 DGEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc(CC#N)cc1 ZINC000338624652 229067054 /nfs/dbraw/zinc/06/70/54/229067054.db2.gz GVUSYOUZGZAYIX-MOPGFXCFSA-N 0 3 318.424 3.306 20 30 DGEDHN N#CCCn1cc(CN[C@H]2CCC[C@@H]2F)c(-c2ccccc2)n1 ZINC000339591631 229081570 /nfs/dbraw/zinc/08/15/70/229081570.db2.gz WTKXJWXUMQXWNF-IRXDYDNUSA-N 0 3 312.392 3.444 20 30 DGEDHN C[C@H](CN(C)C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000349368410 229211840 /nfs/dbraw/zinc/21/18/40/229211840.db2.gz JMRQWXCFMRQQPP-QWHCGFSZSA-N 0 3 320.462 3.010 20 30 DGEDHN N#CC(C(=O)Nc1cc(Cl)ccc1Cl)c1ccncn1 ZINC000352304629 229250622 /nfs/dbraw/zinc/25/06/22/229250622.db2.gz GYJARYXPTACGSX-VIFPVBQESA-N 0 3 307.140 3.029 20 30 DGEDHN Cn1cccc1[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000358000516 229355359 /nfs/dbraw/zinc/35/53/59/229355359.db2.gz BPPHHNBZHRZIBB-PKOBYXMFSA-N 0 3 321.424 3.461 20 30 DGEDHN Cc1ccc(C#N)c(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000302157591 230132160 /nfs/dbraw/zinc/13/21/60/230132160.db2.gz FROXNZGKKOIHTG-RDTXWAMCSA-N 0 3 306.413 3.194 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ncc(C#N)cc1F ZINC000413162021 230142510 /nfs/dbraw/zinc/14/25/10/230142510.db2.gz ZQTDEESVZMLRSS-HNNXBMFYSA-N 0 3 324.403 3.193 20 30 DGEDHN C[C@@H](N[C@H](COC(N)=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000497220104 269845333 /nfs/dbraw/zinc/84/53/33/269845333.db2.gz ILNSZIRUOCAWPI-KDOFPFPSSA-N 0 3 323.396 3.330 20 30 DGEDHN C[C@@H]1CN(c2ccc(C#N)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000346651646 264073563 /nfs/dbraw/zinc/07/35/63/264073563.db2.gz HRDATEYIYZGSLP-CVEARBPZSA-N 0 3 306.413 3.052 20 30 DGEDHN COc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1OC)CC2 ZINC000347289119 264190959 /nfs/dbraw/zinc/19/09/59/264190959.db2.gz KXCVINKMTNCDRQ-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000348191478 264362232 /nfs/dbraw/zinc/36/22/32/264362232.db2.gz GXFODLIUOFIYBC-IBGZPJMESA-N 0 3 324.424 3.340 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1cc(F)ccc1C#N ZINC000353157813 266047251 /nfs/dbraw/zinc/04/72/51/266047251.db2.gz WZWLQVJXCVTFAJ-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCC1 ZINC000361482554 266106756 /nfs/dbraw/zinc/10/67/56/266106756.db2.gz XVDLBKPPHFVAEJ-UHFFFAOYSA-N 0 3 305.809 3.272 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(CC)CC ZINC000361549584 266295843 /nfs/dbraw/zinc/29/58/43/266295843.db2.gz AQZCYQHUJHSPPJ-DLBZAZTESA-N 0 3 303.450 3.312 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)CCOc2ccccc2C#N)C1(C)C ZINC000354446001 266303300 /nfs/dbraw/zinc/30/33/00/266303300.db2.gz DYIXMLPWYIAFRT-IRXDYDNUSA-N 0 3 302.418 3.072 20 30 DGEDHN COCCNc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353381601 266695709 /nfs/dbraw/zinc/69/57/09/266695709.db2.gz FZTXRTLZZQZECW-FQEVSTJZSA-N 0 3 321.424 3.394 20 30 DGEDHN C[C@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1Cl ZINC000191219509 432235085 /nfs/dbraw/zinc/23/50/85/432235085.db2.gz YHBYBNDQFHAULL-GFCCVEGCSA-N 0 3 303.793 3.107 20 30 DGEDHN C[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000352771048 267024654 /nfs/dbraw/zinc/02/46/54/267024654.db2.gz WGHCCUQNKLATTF-VKJFTORMSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCOc2ccc(C#N)cc2)C1 ZINC000359864546 267084618 /nfs/dbraw/zinc/08/46/18/267084618.db2.gz BDIQUABDBDSVTN-BEFAXECRSA-N 0 3 307.397 3.415 20 30 DGEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000349879063 267161129 /nfs/dbraw/zinc/16/11/29/267161129.db2.gz WSADLJJQAIODPN-CHWSQXEVSA-N 0 3 319.836 3.062 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357536441 267328324 /nfs/dbraw/zinc/32/83/24/267328324.db2.gz PAEISZPHCDQOOB-WFASDCNBSA-N 0 3 324.403 3.013 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000151348889 432239570 /nfs/dbraw/zinc/23/95/70/432239570.db2.gz MKRMLJWKVRJTMM-ROUUACIJSA-N 0 3 315.413 3.142 20 30 DGEDHN N#Cc1ccc(C2=CCN(C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000377308580 268054871 /nfs/dbraw/zinc/05/48/71/268054871.db2.gz MESDCKSNXJYAMR-GOSISDBHSA-N 0 3 322.408 3.133 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(F)cc3F)C2)s1 ZINC000376782813 268076250 /nfs/dbraw/zinc/07/62/50/268076250.db2.gz NNLVYUGPCJTHQC-LBPRGKRZSA-N 0 3 319.380 3.266 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CO)CC(F)(F)F ZINC000360650527 268219341 /nfs/dbraw/zinc/21/93/41/268219341.db2.gz YEHGWQWDSSXJJH-DZGCQCFKSA-N 0 3 312.335 3.229 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(N3CCC3=O)c1)CC2 ZINC000353597714 268223444 /nfs/dbraw/zinc/22/34/44/268223444.db2.gz QWKPIACBCVLRHO-LJQANCHMSA-N 0 3 317.392 3.072 20 30 DGEDHN N#Cc1cccc(CNc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000355397323 268254871 /nfs/dbraw/zinc/25/48/71/268254871.db2.gz DQMQWGZDROKRRG-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@H](COc3ccccc3)C2)c1 ZINC000505896561 268284847 /nfs/dbraw/zinc/28/48/47/268284847.db2.gz SZEFVYZATXXBRW-SFHVURJKSA-N 0 3 322.408 3.338 20 30 DGEDHN N#Cc1ccncc1NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000362014038 268300656 /nfs/dbraw/zinc/30/06/56/268300656.db2.gz RUMJCMUFOPRKNB-QGZVFWFLSA-N 0 3 306.413 3.277 20 30 DGEDHN COCCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151375753 432241687 /nfs/dbraw/zinc/24/16/87/432241687.db2.gz QVQMIJYYWAGFNP-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN C[C@@H](CC(=O)N(C)c1ccccc1)NCc1cccc(C#N)c1 ZINC000151394388 432245080 /nfs/dbraw/zinc/24/50/80/432245080.db2.gz CVYLQFHEHWGZQQ-HNNXBMFYSA-N 0 3 307.397 3.089 20 30 DGEDHN C#CC[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccccc1 ZINC000270505823 432253203 /nfs/dbraw/zinc/25/32/03/432253203.db2.gz QVYQWFRPMJSQGZ-IBGZPJMESA-N 0 3 306.409 3.243 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453379522 273484382 /nfs/dbraw/zinc/48/43/82/273484382.db2.gz YRTTYUGPNZVARV-LRDDRELGSA-N 0 3 304.390 3.234 20 30 DGEDHN CC(C)(C)OC(=O)NCCCCNCc1ccc(C#N)s1 ZINC000183096787 432257742 /nfs/dbraw/zinc/25/77/42/432257742.db2.gz YLASPKJRMVXEOQ-UHFFFAOYSA-N 0 3 309.435 3.014 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000248147103 273815121 /nfs/dbraw/zinc/81/51/21/273815121.db2.gz WFEVRCZOZCWTCN-INIZCTEOSA-N 0 3 324.384 3.051 20 30 DGEDHN CN(C)c1ccncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418138286 273823284 /nfs/dbraw/zinc/82/32/84/273823284.db2.gz CKSXSWAYFDBFEA-GOSISDBHSA-N 0 3 306.413 3.186 20 30 DGEDHN C[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000185944340 274242486 /nfs/dbraw/zinc/24/24/86/274242486.db2.gz UXODTHGJEKTTGM-KDOFPFPSSA-N 0 3 322.412 3.371 20 30 DGEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1[C@@H]1CC[C@@H](C#N)C1 ZINC000339129534 274365902 /nfs/dbraw/zinc/36/59/02/274365902.db2.gz DBEJTSJXZZIIQY-JFIYKMOQSA-N 0 3 320.440 3.438 20 30 DGEDHN Cn1nnc2cc(CN[C@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000418147313 274905429 /nfs/dbraw/zinc/90/54/29/274905429.db2.gz RAONNYOQMKVFAK-KRWDZBQOSA-N 0 3 317.396 3.007 20 30 DGEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@@H]2C1 ZINC000451699080 275054541 /nfs/dbraw/zinc/05/45/41/275054541.db2.gz KPRDYTZUTVXPGF-SOLBZPMBSA-N 0 3 303.833 3.174 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287974365 275744198 /nfs/dbraw/zinc/74/41/98/275744198.db2.gz JVDZZYGJNUXRRL-WBVHZDCISA-N 0 3 301.434 3.061 20 30 DGEDHN CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000442637575 276023281 /nfs/dbraw/zinc/02/32/81/276023281.db2.gz PIEADSKUTNQNGH-SIIHOXLZSA-N 0 3 300.402 3.437 20 30 DGEDHN C=C(C)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000453330380 276857390 /nfs/dbraw/zinc/85/73/90/276857390.db2.gz YNKFZQYWADNYJP-SJORKVTESA-N 0 3 308.853 3.268 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC2CCN(CC)CC2)CCCC1(C)C ZINC000444890046 276910750 /nfs/dbraw/zinc/91/07/50/276910750.db2.gz OZQDUJSXACMRQL-MRXNPFEDSA-N 0 3 307.482 3.247 20 30 DGEDHN CN1CC[C@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000272239789 277178163 /nfs/dbraw/zinc/17/81/63/277178163.db2.gz WGVWDSPINJYNDF-XHDPSFHLSA-N 0 3 309.335 3.107 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC000495730377 277191743 /nfs/dbraw/zinc/19/17/43/277191743.db2.gz QBUTUGWXWSTLIP-FPCVCCKLSA-N 0 3 319.449 3.010 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CCC2)C(C)(C)C1 ZINC000496971626 277192969 /nfs/dbraw/zinc/19/29/69/277192969.db2.gz AMDGPOSBRMQOBT-AWEZNQCLSA-N 0 3 321.465 3.305 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000439650971 277773454 /nfs/dbraw/zinc/77/34/54/277773454.db2.gz QTCVNOADPGIIBP-GVDBMIGSSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000094134681 277847608 /nfs/dbraw/zinc/84/76/08/277847608.db2.gz BPFMGRTYHVJQAQ-NUJGCVRESA-N 0 3 322.493 3.005 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000342080664 277885601 /nfs/dbraw/zinc/88/56/01/277885601.db2.gz GVGCWMITIYJWQX-DOTOQJQBSA-N 0 3 303.450 3.333 20 30 DGEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[C@H]1C#N)CC3 ZINC000329613279 277941289 /nfs/dbraw/zinc/94/12/89/277941289.db2.gz DWDMCIPVYSPILV-OGHNNQOOSA-N 0 3 309.413 3.316 20 30 DGEDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000269621748 278248190 /nfs/dbraw/zinc/24/81/90/278248190.db2.gz NPZCIGDSIMNNAL-KSSFIOAISA-N 0 3 311.429 3.142 20 30 DGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000075996985 278252872 /nfs/dbraw/zinc/25/28/72/278252872.db2.gz MQLWFQCKXVWYNH-LBPRGKRZSA-N 0 3 320.824 3.208 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C)CC1 ZINC000068829609 431142823 /nfs/dbraw/zinc/14/28/23/431142823.db2.gz SMDZCZNCJPNDHL-IRXDYDNUSA-N 0 3 313.445 3.444 20 30 DGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2C)c(OC)c1 ZINC000004195355 431297149 /nfs/dbraw/zinc/29/71/49/431297149.db2.gz PENXACNWTATTNQ-RDJZCZTQSA-N 0 3 319.445 3.038 20 30 DGEDHN CC[C@@H](C)N(CCCCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000072972309 431360653 /nfs/dbraw/zinc/36/06/53/431360653.db2.gz DJSYYDFCDQULJO-CQSZACIVSA-N 0 3 312.417 3.217 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114749206 431411184 /nfs/dbraw/zinc/41/11/84/431411184.db2.gz DHELDIIEQJDMJM-KXBFYZLASA-N 0 3 319.408 3.323 20 30 DGEDHN CC(C)[C@H](CNCc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000115629848 431467415 /nfs/dbraw/zinc/46/74/15/431467415.db2.gz PLSGIXJSQIHOCQ-INIZCTEOSA-N 0 3 317.433 3.197 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)CCC2CCCCC2)CC1 ZINC000115118468 431432215 /nfs/dbraw/zinc/43/22/15/431432215.db2.gz YXCVLZWMBVPKTL-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000116951816 431541613 /nfs/dbraw/zinc/54/16/13/431541613.db2.gz KAYKYWRAVJMCOQ-HUUCEWRRSA-N 0 3 321.490 3.224 20 30 DGEDHN C[S@](=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341708541 280180363 /nfs/dbraw/zinc/18/03/63/280180363.db2.gz TUORTNBIJSEKTP-CVDCTZTESA-N 0 3 324.449 3.463 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)CCc1ccccc1 ZINC000077266805 431577358 /nfs/dbraw/zinc/57/73/58/431577358.db2.gz ZDKWLJNFHNIKLZ-UHFFFAOYSA-N 0 3 310.397 3.120 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c(C#N)c1C ZINC000119265373 431667586 /nfs/dbraw/zinc/66/75/86/431667586.db2.gz LZFMHLFEYUVJIY-JRPNMDOOSA-N 0 3 303.406 3.121 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000078533139 431679787 /nfs/dbraw/zinc/67/97/87/431679787.db2.gz GFBYGDAASLUBQH-UHFFFAOYSA-N 0 3 321.852 3.180 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC(c1ccccc1)c1ccccc1 ZINC000078586720 431685357 /nfs/dbraw/zinc/68/53/57/431685357.db2.gz UNFBNJRKUBCRCK-MRXNPFEDSA-N 0 3 308.425 3.099 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000120266349 431724691 /nfs/dbraw/zinc/72/46/91/431724691.db2.gz GPMLQQXMYJVENZ-DOMZBBRYSA-N 0 3 307.825 3.141 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3cccs3)CC2)cc1 ZINC000030209806 431735638 /nfs/dbraw/zinc/73/56/38/431735638.db2.gz FEEWLAMSTMVDJP-UHFFFAOYSA-N 0 3 311.454 3.328 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC000080079469 431762852 /nfs/dbraw/zinc/76/28/52/431762852.db2.gz PXJODVDDGCQIDU-SFHVURJKSA-N 0 3 300.446 3.193 20 30 DGEDHN CC(C)[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCC(C)CC1 ZINC000084078011 431813866 /nfs/dbraw/zinc/81/38/66/431813866.db2.gz IHQDDKQKSULRKM-OAHLLOKOSA-N 0 3 319.474 3.106 20 30 DGEDHN N#Cc1cccc(CNCCOc2ncccc2C(F)(F)F)c1 ZINC000122838143 431846457 /nfs/dbraw/zinc/84/64/57/431846457.db2.gz FGQGLSXLTOMYLX-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN COc1ccc(F)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122976993 431850651 /nfs/dbraw/zinc/85/06/51/431850651.db2.gz CKTVOAAZDUAEHS-CYBMUJFWSA-N 0 3 323.327 3.211 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 ZINC000041519095 431859666 /nfs/dbraw/zinc/85/96/66/431859666.db2.gz AGUXICZFPWQYNH-CQSZACIVSA-N 0 3 308.366 3.127 20 30 DGEDHN CCN(Cc1ccc(C(N)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042742056 431864552 /nfs/dbraw/zinc/86/45/52/431864552.db2.gz LNFZOKADDGUNEA-CQSZACIVSA-N 0 3 307.397 3.240 20 30 DGEDHN CC(C)Oc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000089492561 431867921 /nfs/dbraw/zinc/86/79/21/431867921.db2.gz ZZJCSSJOVRMZEH-CQSZACIVSA-N 0 3 320.352 3.235 20 30 DGEDHN C=CCc1cc(CN(C)C[C@H]2CCCCO2)cc(OC)c1O ZINC000092427839 431908777 /nfs/dbraw/zinc/90/87/77/431908777.db2.gz SZJFQFKQHYXLNT-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@H]1CCCCO1 ZINC000092428456 431909104 /nfs/dbraw/zinc/90/91/04/431909104.db2.gz YBGMBZGFFMGVRY-SFHVURJKSA-N 0 3 301.434 3.037 20 30 DGEDHN C#CCOc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1 ZINC000092454257 431909626 /nfs/dbraw/zinc/90/96/26/431909626.db2.gz XRNQNCGLTOWQCY-UHFFFAOYSA-N 0 3 301.430 3.478 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(F)cccc1F)C(C)C ZINC000047633814 431913204 /nfs/dbraw/zinc/91/32/04/431913204.db2.gz STTMYNVYCWWXRT-INIZCTEOSA-N 0 3 322.399 3.393 20 30 DGEDHN CN(CC(C)(C)CCC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000093512578 431916103 /nfs/dbraw/zinc/91/61/03/431916103.db2.gz KCIBRPKNMJSGQG-KRWDZBQOSA-N 0 3 313.445 3.444 20 30 DGEDHN N#Cc1ccc(CNc2cccc(CN3CCSCC3)c2)o1 ZINC000125237983 431918760 /nfs/dbraw/zinc/91/87/60/431918760.db2.gz DKPPOGHCDVRXPB-UHFFFAOYSA-N 0 3 313.426 3.312 20 30 DGEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Cl)c1 ZINC000125278823 431919694 /nfs/dbraw/zinc/91/96/94/431919694.db2.gz UETMQANOLRVQNR-DOTOQJQBSA-N 0 3 319.836 3.189 20 30 DGEDHN CC(C)CO[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000091964467 431905842 /nfs/dbraw/zinc/90/58/42/431905842.db2.gz IIPUDCBUUWKCAQ-IBGZPJMESA-N 0 3 315.461 3.283 20 30 DGEDHN C=C(C)COCCNCc1ccc(F)c(Br)c1 ZINC000125775289 431935574 /nfs/dbraw/zinc/93/55/74/431935574.db2.gz YXQMUOKKZHWHRM-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1sccc1C#N ZINC000126315221 431946993 /nfs/dbraw/zinc/94/69/93/431946993.db2.gz PMJLJNNMZKBCRK-CQSZACIVSA-N 0 3 305.447 3.004 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C2CCCC2)c1C ZINC000051502188 431951880 /nfs/dbraw/zinc/95/18/80/431951880.db2.gz NOFNZCHEHSXWGY-UHFFFAOYSA-N 0 3 313.445 3.425 20 30 DGEDHN CC1(C)CN(CCCSCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000369595637 281237099 /nfs/dbraw/zinc/23/70/99/281237099.db2.gz PZLULRSHBRWWCY-VYDXJSESSA-N 0 3 308.491 3.303 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000191478761 432269126 /nfs/dbraw/zinc/26/91/26/432269126.db2.gz NCPATSIJOGTPRA-UHFFFAOYSA-N 0 3 314.408 3.368 20 30 DGEDHN Cn1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191556168 432277568 /nfs/dbraw/zinc/27/75/68/432277568.db2.gz QTMGHELGYIGKHP-IAGOWNOFSA-N 0 3 315.804 3.170 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCC1 ZINC000191564594 432278040 /nfs/dbraw/zinc/27/80/40/432278040.db2.gz DCVKRXHFAHJOOD-MRXNPFEDSA-N 0 3 300.446 3.370 20 30 DGEDHN Cn1cc(CNC[C@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC000191617261 432284805 /nfs/dbraw/zinc/28/48/05/432284805.db2.gz USNBNKPOQSZTAA-OAHLLOKOSA-N 0 3 307.319 3.332 20 30 DGEDHN N#CCCCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000102397350 431993883 /nfs/dbraw/zinc/99/38/83/431993883.db2.gz ILDHYRBKFACZCT-UHFFFAOYSA-N 0 3 318.396 3.105 20 30 DGEDHN CCN(C[C@H](C)C#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102397854 431994226 /nfs/dbraw/zinc/99/42/26/431994226.db2.gz XCJDLXWXSOFXBL-CQSZACIVSA-N 0 3 309.454 3.115 20 30 DGEDHN N#Cc1ccc(CN(C[C@H]2CC3(CCC3)C(=O)O2)C2CC2)cc1 ZINC000191968505 432320677 /nfs/dbraw/zinc/32/06/77/432320677.db2.gz KYSINACCVZFLIA-QGZVFWFLSA-N 0 3 310.397 3.008 20 30 DGEDHN C[C@H](CN(C)CCOc1cccc(C#N)c1)c1nccs1 ZINC000183972214 432339883 /nfs/dbraw/zinc/33/98/83/432339883.db2.gz RBGFGNPCTODTQF-CYBMUJFWSA-N 0 3 301.415 3.129 20 30 DGEDHN CN(C)c1cc(CNCc2cccc(C#N)c2)c2ccccc2n1 ZINC000174438717 432347869 /nfs/dbraw/zinc/34/78/69/432347869.db2.gz ITVNKGZYVIGOEJ-UHFFFAOYSA-N 0 3 316.408 3.462 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248610865 432306643 /nfs/dbraw/zinc/30/66/43/432306643.db2.gz GEUSBVSGGSKFKT-MAUKXSAKSA-N 0 3 318.486 3.441 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000271340710 432377949 /nfs/dbraw/zinc/37/79/49/432377949.db2.gz BXHKOCGNKDERFS-SFHVURJKSA-N 0 3 313.445 3.184 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cn2)n1 ZINC000192690769 432401884 /nfs/dbraw/zinc/40/18/84/432401884.db2.gz QTDRTEHLCVRMKF-DOTOQJQBSA-N 0 3 309.417 3.056 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](C[C@H](C)O)c1ccccc1 ZINC000153358218 432403335 /nfs/dbraw/zinc/40/33/35/432403335.db2.gz GSCRRLXXIRTWHH-PXNSSMCTSA-N 0 3 323.436 3.343 20 30 DGEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]1CC1CCCCC1)C1CC1 ZINC000250198663 432366085 /nfs/dbraw/zinc/36/60/85/432366085.db2.gz AFBIGHRFKYKZIS-PKOBYXMFSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271910378 432428051 /nfs/dbraw/zinc/42/80/51/432428051.db2.gz XUHOWQOVYRKUHU-VXGBXAGGSA-N 0 3 316.323 3.207 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@]3(CCOC3)C2)cc1 ZINC000153646143 432428198 /nfs/dbraw/zinc/42/81/98/432428198.db2.gz XCDGLCGMOQJYNO-MRXNPFEDSA-N 0 3 309.331 3.169 20 30 DGEDHN C[C@H](NCCC(=O)OCc1ccccc1)c1ccc(C#N)cc1 ZINC000272056747 432437678 /nfs/dbraw/zinc/43/76/78/432437678.db2.gz VQXIWBUKURCJQJ-HNNXBMFYSA-N 0 3 308.381 3.342 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2c(C)cccc2SC)CC1 ZINC000184642588 432416706 /nfs/dbraw/zinc/41/67/06/432416706.db2.gz BIWMQKMEIFOFDV-UHFFFAOYSA-N 0 3 302.443 3.001 20 30 DGEDHN COc1cccc(C2(NCc3ccc(OCC#N)cc3)CC2)c1 ZINC000271695795 432421858 /nfs/dbraw/zinc/42/18/58/432421858.db2.gz JVLOQPJHKWPFIM-UHFFFAOYSA-N 0 3 308.381 3.376 20 30 DGEDHN Cc1ccccc1[C@H](O)CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000271805483 432424912 /nfs/dbraw/zinc/42/49/12/432424912.db2.gz LEHSIXQAFSPFSC-DNVCBOLYSA-N 0 3 310.397 3.282 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000185341738 432493167 /nfs/dbraw/zinc/49/31/67/432493167.db2.gz XCWDRRFFNDCJGG-IBGZPJMESA-N 0 3 312.457 3.442 20 30 DGEDHN COc1cccc2c1CCN(Cc1ccc(C#N)c(F)c1)CC2 ZINC000193721388 432493354 /nfs/dbraw/zinc/49/33/54/432493354.db2.gz BKSNKOXZKIVXIC-UHFFFAOYSA-N 0 3 310.372 3.307 20 30 DGEDHN CN(C)CCOc1ccc(CNc2cccc(F)c2C#N)cc1 ZINC000263663335 432562655 /nfs/dbraw/zinc/56/26/55/432562655.db2.gz DZNZUAJZGGGFRV-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN C=CCOCCCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000263049101 432515079 /nfs/dbraw/zinc/51/50/79/432515079.db2.gz WTEIZBKFVRGDOP-UHFFFAOYSA-N 0 3 316.323 3.085 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000176499785 432529992 /nfs/dbraw/zinc/52/99/92/432529992.db2.gz FFWGULOKZJPPOH-RDJZCZTQSA-N 0 3 305.466 3.001 20 30 DGEDHN CCN1CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000194337971 432542761 /nfs/dbraw/zinc/54/27/61/432542761.db2.gz VOVFMMCYYBHBSE-MRXNPFEDSA-N 0 3 314.433 3.094 20 30 DGEDHN COc1ccc([C@@H]2CCN(CCOc3ccccc3C#N)C2)cc1 ZINC000155192283 432544266 /nfs/dbraw/zinc/54/42/66/432544266.db2.gz VJNNLEMHGQVWBU-GOSISDBHSA-N 0 3 322.408 3.435 20 30 DGEDHN COC(=O)c1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1 ZINC000273058100 432544431 /nfs/dbraw/zinc/54/44/31/432544431.db2.gz ZQWMWAWFSXHUMH-CQSZACIVSA-N 0 3 324.380 3.074 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)c2nc(C)c(C)s2)c1 ZINC000155652691 432566462 /nfs/dbraw/zinc/56/64/62/432566462.db2.gz JFMURHZORLHCPP-CYBMUJFWSA-N 0 3 301.371 3.014 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000176944584 432568205 /nfs/dbraw/zinc/56/82/05/432568205.db2.gz UGMWKSVHOVPZQD-AWEZNQCLSA-N 0 3 311.454 3.156 20 30 DGEDHN CCN1CCN(c2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c2)CC1 ZINC000194716283 432571357 /nfs/dbraw/zinc/57/13/57/432571357.db2.gz GVZQRYIHYYEDPP-IAGOWNOFSA-N 0 3 312.461 3.323 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC000176974748 432572058 /nfs/dbraw/zinc/57/20/58/432572058.db2.gz XPNJOUFWAQLNHN-CQSZACIVSA-N 0 3 321.446 3.013 20 30 DGEDHN COc1ccc([C@@H](CN2CCCC2)Nc2cccc(C#N)n2)cc1 ZINC000273286564 432579405 /nfs/dbraw/zinc/57/94/05/432579405.db2.gz JRQCAHXKYDIFFO-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN CNC(=O)c1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000186359321 432586592 /nfs/dbraw/zinc/58/65/92/432586592.db2.gz JINQPJHMMPDMPK-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN CC(C)(C)CCN1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000156288887 432592549 /nfs/dbraw/zinc/59/25/49/432592549.db2.gz OEEIFDDUVHHQSF-UHFFFAOYSA-N 0 3 302.437 3.231 20 30 DGEDHN C=C(C)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000156537565 432600003 /nfs/dbraw/zinc/60/00/03/432600003.db2.gz AAPCMCZSGYDQPQ-HIFRSBDPSA-N 0 3 307.463 3.006 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000273489045 432604355 /nfs/dbraw/zinc/60/43/55/432604355.db2.gz MVBZDLPCPLJNGF-RHSMWYFYSA-N 0 3 300.333 3.300 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CC1CC1 ZINC000157925303 432632841 /nfs/dbraw/zinc/63/28/41/432632841.db2.gz BOTWZJKOVCWDSP-CQSZACIVSA-N 0 3 306.475 3.383 20 30 DGEDHN CCOCCOCc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000274167600 432636921 /nfs/dbraw/zinc/63/69/21/432636921.db2.gz ARVHOBFPRZYRHZ-VQIMIIECSA-N 0 3 316.445 3.412 20 30 DGEDHN COc1ccccc1[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000158015477 432637324 /nfs/dbraw/zinc/63/73/24/432637324.db2.gz CYPJOFZTKUOSSA-KRWDZBQOSA-N 0 3 322.408 3.435 20 30 DGEDHN N#Cc1cccc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177602044 432640648 /nfs/dbraw/zinc/64/06/48/432640648.db2.gz NNJRWDKKXVDNIB-LJQANCHMSA-N 0 3 314.429 3.108 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cc2C)CC1 ZINC000264394352 432641011 /nfs/dbraw/zinc/64/10/11/432641011.db2.gz OMIYVHYKBSNWTB-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1cccs1 ZINC000264411330 432643326 /nfs/dbraw/zinc/64/33/26/432643326.db2.gz LKFZOBQPVKLAIH-GFCCVEGCSA-N 0 3 306.822 3.383 20 30 DGEDHN C[C@@H](NC(=O)c1sccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000187270263 432654063 /nfs/dbraw/zinc/65/40/63/432654063.db2.gz HMVXDUSGAYJRRS-IUODEOHRSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccn1 ZINC000159088070 432670079 /nfs/dbraw/zinc/67/00/79/432670079.db2.gz AMVYQSSTTMPXJB-ZBFHGGJFSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000274391169 432661471 /nfs/dbraw/zinc/66/14/71/432661471.db2.gz CGJGQKCPTGABGE-LIRRHRJNSA-N 0 3 311.404 3.478 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000265043019 432666427 /nfs/dbraw/zinc/66/64/27/432666427.db2.gz ZBYZPTBTKNKPPE-LBPRGKRZSA-N 0 3 314.216 3.014 20 30 DGEDHN C=CCOc1cccc(CN2CCC(CC(=O)OCC)CC2)c1 ZINC000159059554 432667940 /nfs/dbraw/zinc/66/79/40/432667940.db2.gz YGTYLFQYYYEACG-UHFFFAOYSA-N 0 3 317.429 3.417 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000187986737 432697238 /nfs/dbraw/zinc/69/72/38/432697238.db2.gz LKTZIPAEDHVDJI-QAPCUYQASA-N 0 3 315.461 3.161 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000188000762 432699379 /nfs/dbraw/zinc/69/93/79/432699379.db2.gz ZTBBXWXCZKPTRZ-HZPDHXFCSA-N 0 3 307.482 3.295 20 30 DGEDHN Cc1ccccc1CN1CCC(Nc2cccc(C#N)n2)CC1 ZINC000265583425 432711418 /nfs/dbraw/zinc/71/14/18/432711418.db2.gz WYBRNOJLWJDVGV-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000188297055 432716979 /nfs/dbraw/zinc/71/69/79/432716979.db2.gz JBGOGEHRIVALHW-GOSISDBHSA-N 0 3 304.434 3.224 20 30 DGEDHN C=C(C)[C@@H](NC[C@H](O)COCC(C)C)c1ccc(F)c(F)c1 ZINC000187762476 432683480 /nfs/dbraw/zinc/68/34/80/432683480.db2.gz AUNZHMLZXQVMHF-WMLDXEAASA-N 0 3 313.388 3.205 20 30 DGEDHN C=CCCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000274576841 432683841 /nfs/dbraw/zinc/68/38/41/432683841.db2.gz FUPLOLFFWMEGBZ-UHFFFAOYSA-N 0 3 319.449 3.242 20 30 DGEDHN CC(C)Oc1cccc([C@@H](O)CNCc2cccc(C#N)c2)c1 ZINC000265312976 432689163 /nfs/dbraw/zinc/68/91/63/432689163.db2.gz QJUYQRCRSCBGGW-IBGZPJMESA-N 0 3 310.397 3.169 20 30 DGEDHN CCCN(CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000161230358 432768242 /nfs/dbraw/zinc/76/82/42/432768242.db2.gz VABUYBGMNYXCNU-UHFFFAOYSA-N 0 3 324.424 3.342 20 30 DGEDHN COc1ccc(CNC[C@@H]2CCCCO2)cc1OCCCC#N ZINC000237183181 432779247 /nfs/dbraw/zinc/77/92/47/432779247.db2.gz CGIKEHOZMJYZQD-INIZCTEOSA-N 0 3 318.417 3.036 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(OCC#N)cc2)C1(C)C ZINC000265857657 432739464 /nfs/dbraw/zinc/73/94/64/432739464.db2.gz JLEGRBBNIBGISF-IRXDYDNUSA-N 0 3 302.418 3.224 20 30 DGEDHN C=C(C)COc1cc(CNCc2ccn(C)c2)ccc1OC ZINC000267131558 432816281 /nfs/dbraw/zinc/81/62/81/432816281.db2.gz VXNBRSUEKKPYDQ-UHFFFAOYSA-N 0 3 300.402 3.278 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)s1)[C@H](O)c1c(F)cccc1F ZINC000267229738 432824965 /nfs/dbraw/zinc/82/49/65/432824965.db2.gz VMRYXNPLBAJNGJ-HOCLYGCPSA-N 0 3 322.380 3.500 20 30 DGEDHN CC(C)C[C@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245494642 432837057 /nfs/dbraw/zinc/83/70/57/432837057.db2.gz NVWOQZNBRBIGSH-AEFFLSMTSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@H](c1ccncc1)N(C)CC#CCN(C)[C@@H](C)c1ccncc1 ZINC000276264312 432789978 /nfs/dbraw/zinc/78/99/78/432789978.db2.gz BOAWRRWZPNIERO-HDICACEKSA-N 0 3 322.456 3.166 20 30 DGEDHN N#Cc1cccc(C2(NCCOCC(F)(F)C(F)F)CC2)c1 ZINC000276303868 432794107 /nfs/dbraw/zinc/79/41/07/432794107.db2.gz XLRTZPGKDVHTEY-UHFFFAOYSA-N 0 3 316.298 3.054 20 30 DGEDHN C=CCCN(C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000276351897 432799473 /nfs/dbraw/zinc/79/94/73/432799473.db2.gz DKHJDGXYCDGYER-CYBMUJFWSA-N 0 3 302.187 3.130 20 30 DGEDHN COc1ccc(CNCc2ccn(C)c2)cc1OCCCC#N ZINC000267098641 432813997 /nfs/dbraw/zinc/81/39/97/432813997.db2.gz OHSOWVLSRVZGHK-UHFFFAOYSA-N 0 3 313.401 3.006 20 30 DGEDHN C[C@@H]1CN(CCCNc2ccc(C#N)c(Cl)c2)CCCO1 ZINC000277638423 432865562 /nfs/dbraw/zinc/86/55/62/432865562.db2.gz NJTJJKLSDRGGKP-CYBMUJFWSA-N 0 3 307.825 3.124 20 30 DGEDHN CCC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1CCOC ZINC000245964161 432873443 /nfs/dbraw/zinc/87/34/43/432873443.db2.gz VJDLRQDYQYCEIM-VQIMIIECSA-N 0 3 315.461 3.052 20 30 DGEDHN CC(C)N(CCC(C)(C)C#N)C[C@H](O)COc1ccccc1 ZINC000277848625 432878271 /nfs/dbraw/zinc/87/82/71/432878271.db2.gz SNNLNWDDNPQIRZ-INIZCTEOSA-N 0 3 304.434 3.077 20 30 DGEDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ccn1 ZINC000329962726 432885268 /nfs/dbraw/zinc/88/52/68/432885268.db2.gz SHXYUSYASSTATD-MRXNPFEDSA-N 0 3 317.433 3.190 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC000329964300 432885571 /nfs/dbraw/zinc/88/55/71/432885571.db2.gz ULBMUOJRDUJVIF-YKWDICOMSA-N 0 3 316.445 3.330 20 30 DGEDHN CC(C)(C#N)CCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000278174440 432889597 /nfs/dbraw/zinc/88/95/97/432889597.db2.gz QIWXQKJNGOTUDU-UHFFFAOYSA-N 0 3 324.472 3.396 20 30 DGEDHN Clc1cccc(C#CCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000296305051 432894145 /nfs/dbraw/zinc/89/41/45/432894145.db2.gz ZZSVDNCISQTVNL-BRWVUGGUSA-N 0 3 301.817 3.239 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CCN(C2CCCCC2)CC1 ZINC000163248536 432847503 /nfs/dbraw/zinc/84/75/03/432847503.db2.gz XOEDKLHXQQJPNZ-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN C[C@@H]1C[C@@H](/N=C/c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000268173912 432852335 /nfs/dbraw/zinc/85/23/35/432852335.db2.gz LYYNMHYCJYAZQA-UYWYXKEBSA-N 0 3 310.397 3.180 20 30 DGEDHN C[C@@H]1C[C@H](/N=C/c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000268173910 432852707 /nfs/dbraw/zinc/85/27/07/432852707.db2.gz LYYNMHYCJYAZQA-SJCPJDRESA-N 0 3 310.397 3.180 20 30 DGEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2sccc2C#N)C1 ZINC000330690680 432924836 /nfs/dbraw/zinc/92/48/36/432924836.db2.gz FXJSVCUEVIORFC-CYBMUJFWSA-N 0 3 319.474 3.250 20 30 DGEDHN C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000279157243 432941216 /nfs/dbraw/zinc/94/12/16/432941216.db2.gz CHYGKOBBQGVDLJ-SJLPKXTDSA-N 0 3 315.461 3.305 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2ccncc2)C1 ZINC000289301531 432942175 /nfs/dbraw/zinc/94/21/75/432942175.db2.gz IGQYMOAIURSCCQ-KRWDZBQOSA-N 0 3 307.397 3.341 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279234300 432948562 /nfs/dbraw/zinc/94/85/62/432948562.db2.gz FDVHUTKXBGPJTN-ZTFGCOKTSA-N 0 3 309.413 3.183 20 30 DGEDHN COc1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cn1 ZINC000330292087 432901842 /nfs/dbraw/zinc/90/18/42/432901842.db2.gz GYKAPIURIMWOHP-HNNXBMFYSA-N 0 3 303.406 3.475 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC1 ZINC000296464859 432910520 /nfs/dbraw/zinc/91/05/20/432910520.db2.gz PSPHKOYWRWCVPY-INIZCTEOSA-N 0 3 309.413 3.183 20 30 DGEDHN C#Cc1ccc(CN[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000289525442 432966652 /nfs/dbraw/zinc/96/66/52/432966652.db2.gz PPEWTODEMMKMSP-FQEVSTJZSA-N 0 3 308.425 3.069 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000290152580 433002203 /nfs/dbraw/zinc/00/22/03/433002203.db2.gz CRGGHTSKYCYLGC-MRXNPFEDSA-N 0 3 321.486 3.077 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000280066167 433002199 /nfs/dbraw/zinc/00/21/99/433002199.db2.gz MZLRLIDNGFMPBE-IAGOWNOFSA-N 0 3 307.397 3.080 20 30 DGEDHN Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)c1 ZINC000279585743 432987178 /nfs/dbraw/zinc/98/71/78/432987178.db2.gz CXFONQVXWSKAKG-IBGZPJMESA-N 0 3 317.392 3.174 20 30 DGEDHN CC(C)C(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280009651 432999567 /nfs/dbraw/zinc/99/95/67/432999567.db2.gz LRWBHCISXMGLMD-KRWDZBQOSA-N 0 3 311.429 3.285 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000280059727 433001529 /nfs/dbraw/zinc/00/15/29/433001529.db2.gz PJXIMMWLJOAZFO-CEXWTWQISA-N 0 3 321.424 3.326 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000290219604 433015542 /nfs/dbraw/zinc/01/55/42/433015542.db2.gz RNEDCVUXRCPOPL-OAQYLSRUSA-N 0 3 323.411 3.234 20 30 DGEDHN CCOc1ccc(C#N)cc1NC1CCN(c2ccncc2)CC1 ZINC000297824859 433021308 /nfs/dbraw/zinc/02/13/08/433021308.db2.gz ZDJULYYTTPXOTM-UHFFFAOYSA-N 0 3 322.412 3.433 20 30 DGEDHN CN(CCc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280313291 433033344 /nfs/dbraw/zinc/03/33/44/433033344.db2.gz GFPAEAVPKNDKPD-INIZCTEOSA-N 0 3 323.421 3.003 20 30 DGEDHN CN(C)[C@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 ZINC000433348087 289350361 /nfs/dbraw/zinc/35/03/61/289350361.db2.gz RVRJCFOFJFNBFO-QGZVFWFLSA-N 0 3 315.461 3.468 20 30 DGEDHN CC(C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280528866 433072250 /nfs/dbraw/zinc/07/22/50/433072250.db2.gz YIROMCXJXDTOQK-SFHVURJKSA-N 0 3 309.413 3.135 20 30 DGEDHN CC(C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280528864 433072732 /nfs/dbraw/zinc/07/27/32/433072732.db2.gz YIROMCXJXDTOQK-GOSISDBHSA-N 0 3 309.413 3.135 20 30 DGEDHN N#Cc1ncccc1NC1CCN(CCc2ccccc2)CC1 ZINC000290532917 433083379 /nfs/dbraw/zinc/08/33/79/433083379.db2.gz OIRJGIQBDMKERY-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN CCn1nc(CNCCc2cccc(C#N)c2)c2ccccc21 ZINC000341481912 433086925 /nfs/dbraw/zinc/08/69/25/433086925.db2.gz JOPVNRLUYIQXTL-UHFFFAOYSA-N 0 3 304.397 3.260 20 30 DGEDHN N#Cc1cccc(CCNCc2cncc(Br)c2)c1 ZINC000341487717 433090241 /nfs/dbraw/zinc/09/02/41/433090241.db2.gz PNJSMVAESJLWQG-UHFFFAOYSA-N 0 3 316.202 3.048 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000280568429 433090194 /nfs/dbraw/zinc/09/01/94/433090194.db2.gz GMDPZBNVYTUWOV-XHDPSFHLSA-N 0 3 310.781 3.319 20 30 DGEDHN C=C(C)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000453330379 433095522 /nfs/dbraw/zinc/09/55/22/433095522.db2.gz YNKFZQYWADNYJP-IRXDYDNUSA-N 0 3 308.853 3.268 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000453331648 433095807 /nfs/dbraw/zinc/09/58/07/433095807.db2.gz CCKUADJYFOGMBV-BJJXKVORSA-N 0 3 320.389 3.378 20 30 DGEDHN CN1CCC(N(Cc2ccco2)Cc2ccc(C#N)s2)CC1 ZINC000290556020 433097371 /nfs/dbraw/zinc/09/73/71/433097371.db2.gz SBYNHEBHZJTONS-UHFFFAOYSA-N 0 3 315.442 3.309 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000453361749 433121510 /nfs/dbraw/zinc/12/15/10/433121510.db2.gz PJCXZULXGFYRLR-MCIONIFRSA-N 0 3 319.401 3.075 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2ccc(Cl)cc2n1C ZINC000280653788 433124601 /nfs/dbraw/zinc/12/46/01/433124601.db2.gz OMZHVDVPYLOAHG-PXAZEXFGSA-N 0 3 319.836 3.298 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2ccc(Cl)cc2n1C ZINC000280653792 433126455 /nfs/dbraw/zinc/12/64/55/433126455.db2.gz OMZHVDVPYLOAHG-YVEFUNNKSA-N 0 3 319.836 3.298 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2ccc(Cl)cc2n1C ZINC000280653789 433126897 /nfs/dbraw/zinc/12/68/97/433126897.db2.gz OMZHVDVPYLOAHG-SJCJKPOMSA-N 0 3 319.836 3.298 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000354522454 433128601 /nfs/dbraw/zinc/12/86/01/433128601.db2.gz REYRFMORBUFQGF-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1cc(C#N)n(C)c1 ZINC000290652085 433130689 /nfs/dbraw/zinc/13/06/89/433130689.db2.gz ZCMACUMYKYSIEK-QGZVFWFLSA-N 0 3 311.433 3.354 20 30 DGEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1O ZINC000298432907 433137879 /nfs/dbraw/zinc/13/78/79/433137879.db2.gz WULZEOLOSRCUNW-LBPRGKRZSA-N 0 3 312.369 3.132 20 30 DGEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000298463583 433149032 /nfs/dbraw/zinc/14/90/32/433149032.db2.gz IEQCIOXPHHYDJG-UHFFFAOYSA-N 0 3 312.335 3.378 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CCCC2)C1 ZINC000333770357 433101427 /nfs/dbraw/zinc/10/14/27/433101427.db2.gz XSFGTJVZWQREGM-INIZCTEOSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000453344029 433106534 /nfs/dbraw/zinc/10/65/34/433106534.db2.gz FEBXKHIRVRMBBJ-WQAKAFBOSA-N 0 3 301.308 3.421 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Br)o1 ZINC000280618874 433112206 /nfs/dbraw/zinc/11/22/06/433112206.db2.gz KURJSPGWAYBFMS-MFKMUULPSA-N 0 3 300.196 3.113 20 30 DGEDHN C=C(CC)CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000453352280 433113464 /nfs/dbraw/zinc/11/34/64/433113464.db2.gz ITPOTPATHPHEOA-IAGOWNOFSA-N 0 3 308.853 3.268 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)CCOc2cccc(C#N)c2)C12CCC2 ZINC000341617019 433167458 /nfs/dbraw/zinc/16/74/58/433167458.db2.gz DOXGSMXZUGKKKI-QZTJIDSGSA-N 0 3 314.429 3.217 20 30 DGEDHN N#Cc1ccsc1NC(=O)CN(CC1CC1)CC1CCC1 ZINC000280787629 433171992 /nfs/dbraw/zinc/17/19/92/433171992.db2.gz QSQNPVYQRQEAEB-UHFFFAOYSA-N 0 3 303.431 3.070 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cccnc1C#N ZINC000290806442 433172861 /nfs/dbraw/zinc/17/28/61/433172861.db2.gz QNXQIEUSIIDDFQ-WBVHZDCISA-N 0 3 306.413 3.276 20 30 DGEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374179454 433179686 /nfs/dbraw/zinc/17/96/86/433179686.db2.gz TUCXJJOQLLLCAR-DEQVHRJGSA-N 0 3 302.256 3.157 20 30 DGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cn2ccccc2c1C#N ZINC000336875382 433197955 /nfs/dbraw/zinc/19/79/55/433197955.db2.gz FYRTVRPQZHQLSD-RDJZCZTQSA-N 0 3 311.429 3.326 20 30 DGEDHN C=CCc1cc(CNCCOCC2CCCC2)cc(OC)c1O ZINC000453585212 433217405 /nfs/dbraw/zinc/21/74/05/433217405.db2.gz NHTBHQOPIOMLIL-UHFFFAOYSA-N 0 3 319.445 3.426 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1C ZINC000361511545 433217946 /nfs/dbraw/zinc/21/79/46/433217946.db2.gz SRAURQZTKDNHLG-AWEZNQCLSA-N 0 3 304.353 3.075 20 30 DGEDHN COCCOCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000291145702 433224358 /nfs/dbraw/zinc/22/43/58/433224358.db2.gz IBIHVVNSLWIOGF-MSOLQXFVSA-N 0 3 302.418 3.022 20 30 DGEDHN CC[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447563664 433226845 /nfs/dbraw/zinc/22/68/45/433226845.db2.gz RJMJMCJNPGCASZ-PKOBYXMFSA-N 0 3 319.408 3.404 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N(C)C[C@@H]1CCCN1C ZINC000420632244 433238111 /nfs/dbraw/zinc/23/81/11/433238111.db2.gz HTDRQOADGVGDDZ-HNNXBMFYSA-N 0 3 312.392 3.084 20 30 DGEDHN C[C@@H](NCCn1cncn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374677649 433252120 /nfs/dbraw/zinc/25/21/20/433252120.db2.gz JIPKSIVBOFKNLE-OAHLLOKOSA-N 0 3 317.396 3.168 20 30 DGEDHN CCCCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000361580655 433262222 /nfs/dbraw/zinc/26/22/22/433262222.db2.gz ZYVMEWFPPNFVRR-SJORKVTESA-N 0 3 303.450 3.312 20 30 DGEDHN CC[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000281135449 433265434 /nfs/dbraw/zinc/26/54/34/433265434.db2.gz DJEJGWUBEWFMAW-SFHVURJKSA-N 0 3 301.434 3.037 20 30 DGEDHN CC[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447887815 433316136 /nfs/dbraw/zinc/31/61/36/433316136.db2.gz ALUYGHODCURDNZ-KYJSFNMBSA-N 0 3 311.429 3.317 20 30 DGEDHN CC1CCN([C@@H](CNC(=O)C(C)(C)C#N)c2ccccc2)CC1 ZINC000298935090 433281654 /nfs/dbraw/zinc/28/16/54/433281654.db2.gz HSLCBQJDRGEUGF-KRWDZBQOSA-N 0 3 313.445 3.126 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000454136545 433286163 /nfs/dbraw/zinc/28/61/63/433286163.db2.gz LKDBFZSCELIBBT-UHFFFAOYSA-N 0 3 315.461 3.162 20 30 DGEDHN C[C@@H](CCCCNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000291646698 433296946 /nfs/dbraw/zinc/29/69/46/433296946.db2.gz CELDFOTXFMVAAF-ZDUSSCGKSA-N 0 3 321.421 3.324 20 30 DGEDHN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C(C)C#N ZINC000414012421 433350434 /nfs/dbraw/zinc/35/04/34/433350434.db2.gz FTTNUROTUOZTAF-KGLIPLIRSA-N 0 3 315.417 3.029 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000299426822 433369731 /nfs/dbraw/zinc/36/97/31/433369731.db2.gz TVWWKHYZFKXVHI-DOTOQJQBSA-N 0 3 313.445 3.458 20 30 DGEDHN C[C@H]1C[C@H](N(C)C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000291836296 433370150 /nfs/dbraw/zinc/37/01/50/433370150.db2.gz BISSBDFAYSBLTK-FUHWJXTLSA-N 0 3 313.445 3.192 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)(F)F ZINC000413970669 433331623 /nfs/dbraw/zinc/33/16/23/433331623.db2.gz AIJLVWNZCKHVNM-GXTWGEPZSA-N 0 3 312.335 3.464 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ncc(C)s1)C(C)C ZINC000339060259 433335781 /nfs/dbraw/zinc/33/57/81/433335781.db2.gz IBGUOKRFJTZJIM-CQSZACIVSA-N 0 3 322.478 3.272 20 30 DGEDHN CC(C)OCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000413984712 433336743 /nfs/dbraw/zinc/33/67/43/433336743.db2.gz FXXTZIGNSKGZOJ-INIZCTEOSA-N 0 3 302.418 3.079 20 30 DGEDHN CN(CCc1ccncc1)Cc1ccc(C#N)cc1OC(F)F ZINC000354876770 433338829 /nfs/dbraw/zinc/33/88/29/433338829.db2.gz NQQJEHJIOMMDOO-UHFFFAOYSA-N 0 3 317.339 3.229 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1COc2ccccc21 ZINC000426144775 433427958 /nfs/dbraw/zinc/42/79/58/433427958.db2.gz WMWMDMIGNHMINL-IAGOWNOFSA-N 0 3 320.392 3.051 20 30 DGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccccc1Br ZINC000448452390 433410179 /nfs/dbraw/zinc/41/01/79/433410179.db2.gz NCUSRWYHEZZLQJ-JTQLQIEISA-N 0 3 309.207 3.003 20 30 DGEDHN CN1CCN(Cc2ccc(C#N)c(F)c2)C2(CCCCC2)C1 ZINC000361838945 433414281 /nfs/dbraw/zinc/41/42/81/433414281.db2.gz VZXWQBUJBRWMKS-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000361891628 433437319 /nfs/dbraw/zinc/43/73/19/433437319.db2.gz XRXJNLRJPHTBON-AWEZNQCLSA-N 0 3 304.459 3.131 20 30 DGEDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000292049179 433439142 /nfs/dbraw/zinc/43/91/42/433439142.db2.gz YZCQAMAYUVVLSN-BBRMVZONSA-N 0 3 323.371 3.153 20 30 DGEDHN C=CCCOCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292071802 433448543 /nfs/dbraw/zinc/44/85/43/433448543.db2.gz HLMSZEOQXNKTEP-YJBOKZPZSA-N 0 3 307.409 3.476 20 30 DGEDHN CC(C)c1nnc(CCN[C@@H](C)c2cccc(C#N)c2)s1 ZINC000426308277 433458907 /nfs/dbraw/zinc/45/89/07/433458907.db2.gz DIQJVNYRDJSJCG-LBPRGKRZSA-N 0 3 300.431 3.426 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)NC1CCCCC1 ZINC000328677382 290032159 /nfs/dbraw/zinc/03/21/59/290032159.db2.gz LYVZJIMVOYPTQH-HNKHHVNMSA-N 0 3 306.450 3.211 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000292113043 433468719 /nfs/dbraw/zinc/46/87/19/433468719.db2.gz AHNJSQVUJDLGLD-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccsc1 ZINC000421322904 433479213 /nfs/dbraw/zinc/47/92/13/433479213.db2.gz FIRBWGIQQJFKKT-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)C[C@H](CO)C2)ccc1OC ZINC000421367372 433510236 /nfs/dbraw/zinc/51/02/36/433510236.db2.gz WHTGWIHJFHRIHJ-RDJZCZTQSA-N 0 3 319.445 3.100 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000454607702 433511120 /nfs/dbraw/zinc/51/11/20/433511120.db2.gz ICVKKBPQSYOMBU-AEFFLSMTSA-N 0 3 315.461 3.162 20 30 DGEDHN COc1ccc(O[C@@H](C)CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421370184 433515700 /nfs/dbraw/zinc/51/57/00/433515700.db2.gz WQDRLDUGQSDNFX-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN CCOc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292270777 433531126 /nfs/dbraw/zinc/53/11/26/433531126.db2.gz SDRCXFGKJPXMDO-GOSISDBHSA-N 0 3 323.396 3.005 20 30 DGEDHN N#CC1(CCCN2CCc3cc(F)ccc3C2)CCOCC1 ZINC000282082211 433491370 /nfs/dbraw/zinc/49/13/70/433491370.db2.gz UMQBPBXGCXVCRM-UHFFFAOYSA-N 0 3 302.393 3.284 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000448683133 433492446 /nfs/dbraw/zinc/49/24/46/433492446.db2.gz VVHRKKFOXZDEBI-KRWDZBQOSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@H](CO)C2)cc1Cl ZINC000421360612 433507115 /nfs/dbraw/zinc/50/71/15/433507115.db2.gz JFHRKGVRXPUXPB-HIFRSBDPSA-N 0 3 309.837 3.355 20 30 DGEDHN CC(C)(CCC#N)CNCc1ccncc1OCC(F)(F)F ZINC000282264636 433548996 /nfs/dbraw/zinc/54/89/96/433548996.db2.gz PLNQOKCPABKDBS-UHFFFAOYSA-N 0 3 315.339 3.442 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292321424 433552541 /nfs/dbraw/zinc/55/25/41/433552541.db2.gz VVMRVLCUORHLMN-KDOFPFPSSA-N 0 3 318.380 3.039 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(OC)c1O ZINC000282302189 433561416 /nfs/dbraw/zinc/56/14/16/433561416.db2.gz MMCNMKVIYGYUFO-BBRMVZONSA-N 0 3 305.418 3.129 20 30 DGEDHN COCCN(Cc1cn2ccccc2c1C#N)[C@H]1CC[C@@H](C)C1 ZINC000362171070 433561458 /nfs/dbraw/zinc/56/14/58/433561458.db2.gz VSQIMSAOFCQCNI-WBVHZDCISA-N 0 3 311.429 3.448 20 30 DGEDHN Cn1cc(CN[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000342256919 433569426 /nfs/dbraw/zinc/56/94/26/433569426.db2.gz XJZKJXRUSMWVKV-QZTJIDSGSA-N 0 3 309.413 3.232 20 30 DGEDHN CC(C)[C@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000292499341 433570263 /nfs/dbraw/zinc/57/02/63/433570263.db2.gz RZRWEPRYVQSVKK-ZWKOTPCHSA-N 0 3 321.424 3.278 20 30 DGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCC[C@H]1O ZINC000356407520 433571000 /nfs/dbraw/zinc/57/10/00/433571000.db2.gz HJUVWQAKLRWBKX-HUUCEWRRSA-N 0 3 312.335 3.312 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000448845412 433578816 /nfs/dbraw/zinc/57/88/16/433578816.db2.gz PVJAYJUWIQUXJZ-LPHOPBHVSA-N 0 3 317.477 3.231 20 30 DGEDHN Cc1cc(CNC[C@H](CO)c2ccccc2Cl)ccc1C#N ZINC000342284946 433585275 /nfs/dbraw/zinc/58/52/75/433585275.db2.gz IRIBWEJJJGMKQH-MRXNPFEDSA-N 0 3 314.816 3.386 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000292730976 433591841 /nfs/dbraw/zinc/59/18/41/433591841.db2.gz GNQZWHOCWAEPDQ-ZFWWWQNUSA-N 0 3 315.373 3.130 20 30 DGEDHN C=CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000355423497 433544581 /nfs/dbraw/zinc/54/45/81/433544581.db2.gz QZTWJXKWEWNKET-INIZCTEOSA-N 0 3 322.399 3.226 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1nc2ccccc2o1 ZINC000301621190 433643860 /nfs/dbraw/zinc/64/38/60/433643860.db2.gz FEZCZPMWZDMBND-UHFFFAOYSA-N 0 3 320.396 3.268 20 30 DGEDHN COc1ccc(OC)c(CN(CCOCCC#N)C(C)(C)C)c1 ZINC000292791896 433596247 /nfs/dbraw/zinc/59/62/47/433596247.db2.gz LOYFSGZNXIQGFR-UHFFFAOYSA-N 0 3 320.433 3.235 20 30 DGEDHN Cc1[nH]c(C#N)cc1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000448901790 433603273 /nfs/dbraw/zinc/60/32/73/433603273.db2.gz XMKFWGZXECOACD-ZDUSSCGKSA-N 0 3 324.428 3.054 20 30 DGEDHN COc1cc(CNC[C@@H](O)c2cc(C)cc(C)c2)ccc1C#N ZINC000282426846 433605615 /nfs/dbraw/zinc/60/56/15/433605615.db2.gz CADIRWRNHKCZDC-GOSISDBHSA-N 0 3 310.397 3.007 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1OC ZINC000282425053 433606316 /nfs/dbraw/zinc/60/63/16/433606316.db2.gz SWDBIOWIIRMGES-GDBMZVCRSA-N 0 3 305.418 3.259 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COCC(F)(F)F ZINC000292994253 433608616 /nfs/dbraw/zinc/60/86/16/433608616.db2.gz SGNMWRDIRINCBH-HNNXBMFYSA-N 0 3 317.351 3.005 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000301554104 433611596 /nfs/dbraw/zinc/61/15/96/433611596.db2.gz HXNCCMILJOJUFI-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C(C)C ZINC000456357435 433615723 /nfs/dbraw/zinc/61/57/23/433615723.db2.gz XXLFIGZZIKHHDH-QYZOEREBSA-N 0 3 323.440 3.380 20 30 DGEDHN COc1ccc(CN[C@@H]2CS[C@@H](C)C2)cc1OCCCC#N ZINC000414495457 433659796 /nfs/dbraw/zinc/65/97/96/433659796.db2.gz BOVKUENIUKRRRD-ZFWWWQNUSA-N 0 3 320.458 3.361 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000362390430 433683794 /nfs/dbraw/zinc/68/37/94/433683794.db2.gz SNTPAPXRZOFHQN-CYBMUJFWSA-N 0 3 304.459 3.177 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000414530755 433697083 /nfs/dbraw/zinc/69/70/83/433697083.db2.gz FGHVXAGQPQTRJT-JKSUJKDBSA-N 0 3 324.371 3.007 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000356782147 433697545 /nfs/dbraw/zinc/69/75/45/433697545.db2.gz BQALUJOHNRDRNJ-ZDUSSCGKSA-N 0 3 310.422 3.404 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000356782140 433697565 /nfs/dbraw/zinc/69/75/65/433697565.db2.gz BQALUJOHNRDRNJ-CYBMUJFWSA-N 0 3 310.422 3.404 20 30 DGEDHN CC[C@H](NC(=O)C(C)C#N)c1cc(F)cc(Br)c1 ZINC000362508141 433731350 /nfs/dbraw/zinc/73/13/50/433731350.db2.gz XTDWAISWBPIIAN-PELKAZGASA-N 0 3 313.170 3.315 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCC3)CC2)cc1 ZINC000376438749 433738339 /nfs/dbraw/zinc/73/83/39/433738339.db2.gz YVZFEVYYBBEDOF-KRWDZBQOSA-N 0 3 307.397 3.033 20 30 DGEDHN Cn1cc(CN[C@@H]2C[C@H]2c2ccco2)c(-c2ccc(C#N)cc2)n1 ZINC000414597325 433738506 /nfs/dbraw/zinc/73/85/06/433738506.db2.gz WHRVYTQIUFPXGA-IAGOWNOFSA-N 0 3 318.380 3.197 20 30 DGEDHN N#Cc1cccc(Nc2cccc(CN3CCSCC3)c2)n1 ZINC000301823039 433739565 /nfs/dbraw/zinc/73/95/65/433739565.db2.gz HNPXECDSKHIISK-UHFFFAOYSA-N 0 3 310.426 3.246 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cccc(C#N)n3)c(C)c2)CC1 ZINC000301851480 433756504 /nfs/dbraw/zinc/75/65/04/433756504.db2.gz PKYWEVYFZNAPBW-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000449700541 433761548 /nfs/dbraw/zinc/76/15/48/433761548.db2.gz UDIQHJCTENADCL-ZDUSSCGKSA-N 0 3 313.825 3.164 20 30 DGEDHN CCO[C@@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000449759090 433771049 /nfs/dbraw/zinc/77/10/49/433771049.db2.gz WWUCBWLMIWZIFD-QZTJIDSGSA-N 0 3 302.418 3.416 20 30 DGEDHN C=CCOc1ccc(CN2CCCC[C@@H]2COC)cc1OC ZINC000449761412 433774806 /nfs/dbraw/zinc/77/48/06/433774806.db2.gz XFPXEYYRDHQNNN-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C[C@@H](Nc1nccc(C#N)c1Cl)[C@H](c1ccccc1)N(C)C ZINC000343098804 433779328 /nfs/dbraw/zinc/77/93/28/433779328.db2.gz LFFQDJPLSNKCMO-MLGOLLRUSA-N 0 3 314.820 3.710 20 30 DGEDHN C=C(C)COc1cc(CNC2(COC)CCC2)ccc1OC ZINC000283901280 433796474 /nfs/dbraw/zinc/79/64/74/433796474.db2.gz HXEZFJHJHYTDEO-UHFFFAOYSA-N 0 3 305.418 3.309 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376953642 433840470 /nfs/dbraw/zinc/84/04/70/433840470.db2.gz GVIPQDDZSHQIPQ-IBGZPJMESA-N 0 3 312.457 3.208 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285135166 433919221 /nfs/dbraw/zinc/91/92/21/433919221.db2.gz LQIREGBVDNLZQA-AWEZNQCLSA-N 0 3 308.809 3.382 20 30 DGEDHN C=CCc1cc(CN[C@@]2(CCC)CCOC2)cc(OC)c1O ZINC000285343741 433921838 /nfs/dbraw/zinc/92/18/38/433921838.db2.gz AJOAJFQVMSNKSC-SFHVURJKSA-N 0 3 305.418 3.178 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000285212615 433923446 /nfs/dbraw/zinc/92/34/46/433923446.db2.gz PGRHNTJUSAJHTC-YOEHRIQHSA-N 0 3 319.474 3.016 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CCCCC3)C2)cc1 ZINC000294032793 433973795 /nfs/dbraw/zinc/97/37/95/433973795.db2.gz FUNDEXLOQJGPBB-GOSISDBHSA-N 0 3 321.424 3.279 20 30 DGEDHN CC(C)OCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285609327 434014141 /nfs/dbraw/zinc/01/41/41/434014141.db2.gz XIEZKXPDSWLSPU-UHFFFAOYSA-N 0 3 320.408 3.356 20 30 DGEDHN CN(C)[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1cccs1 ZINC000450213710 434032056 /nfs/dbraw/zinc/03/20/56/434032056.db2.gz GOCAAMVEEDNBLC-CYBMUJFWSA-N 0 3 316.386 3.243 20 30 DGEDHN C[C@@]1(NCc2cc(C#N)cs2)CCN(Cc2ccccc2)C1 ZINC000406042215 293873747 /nfs/dbraw/zinc/87/37/47/293873747.db2.gz RJGDURUEKXESRI-GOSISDBHSA-N 0 3 311.454 3.374 20 30 DGEDHN CN1CCN(Cc2cccc(C#N)c2F)C2(CCCCC2)C1 ZINC000352873302 434061078 /nfs/dbraw/zinc/06/10/78/434061078.db2.gz GCNJEGULSZNNLV-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN CC(C)Oc1ccc([C@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000357534228 434068786 /nfs/dbraw/zinc/06/87/86/434068786.db2.gz NUVHLRHODCVJRE-IBGZPJMESA-N 0 3 324.428 3.455 20 30 DGEDHN CN(C)[C@H](CC(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000416249715 434070988 /nfs/dbraw/zinc/07/09/88/434070988.db2.gz YZZOOQUBTAZUKI-GOSISDBHSA-N 0 3 307.397 3.384 20 30 DGEDHN CSc1ccc([C@@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000294300064 434075451 /nfs/dbraw/zinc/07/54/51/434075451.db2.gz YKDXNNJFYRNQJX-MRXNPFEDSA-N 0 3 312.442 3.390 20 30 DGEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CCCC[C@H]1O ZINC000305859569 434086045 /nfs/dbraw/zinc/08/60/45/434086045.db2.gz XOCLTKVDECGBSX-PKOBYXMFSA-N 0 3 316.445 3.352 20 30 DGEDHN CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457314327 434097786 /nfs/dbraw/zinc/09/77/86/434097786.db2.gz YOSZGPQVOXGYCK-JENIJYKNSA-N 0 3 309.413 3.181 20 30 DGEDHN CCCCCCCCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000363710193 434124216 /nfs/dbraw/zinc/12/42/16/434124216.db2.gz NWZHSHJZUURKLB-QGZVFWFLSA-N 0 3 310.482 3.107 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000294652331 434127410 /nfs/dbraw/zinc/12/74/10/434127410.db2.gz HOJNYVWNHJMRAY-CQSZACIVSA-N 0 3 306.475 3.289 20 30 DGEDHN CCC[C@H](CNCc1ccc(OC)c(OCCCC#N)c1)OC ZINC000294686145 434128155 /nfs/dbraw/zinc/12/81/55/434128155.db2.gz BNUPRFXPNJSLMN-MRXNPFEDSA-N 0 3 320.433 3.282 20 30 DGEDHN Cn1cc(CN(Cc2ccccc2)CC2CCOCC2)cc1C#N ZINC000191353710 294233294 /nfs/dbraw/zinc/23/32/94/294233294.db2.gz VLNSMBPZILXZRR-UHFFFAOYSA-N 0 3 323.440 3.326 20 30 DGEDHN C=CC(C)(C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000294834564 434144725 /nfs/dbraw/zinc/14/47/25/434144725.db2.gz XQWFHTIQNRKERC-UHFFFAOYSA-N 0 3 318.486 3.429 20 30 DGEDHN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000346145199 434151246 /nfs/dbraw/zinc/15/12/46/434151246.db2.gz UTKSCKWVLCSYLW-NWDGAFQWSA-N 0 3 306.381 3.468 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000416700940 434165862 /nfs/dbraw/zinc/16/58/62/434165862.db2.gz XZBIZNDZTRLFEK-HZPDHXFCSA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000357740432 434158929 /nfs/dbraw/zinc/15/89/29/434158929.db2.gz JOSBKBVRKULQQL-JKSUJKDBSA-N 0 3 305.466 3.182 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000416700922 434165964 /nfs/dbraw/zinc/16/59/64/434165964.db2.gz XZBIZNDZTRLFEK-CVEARBPZSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000295031720 434161712 /nfs/dbraw/zinc/16/17/12/434161712.db2.gz FGPRRUUWNNCGRA-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000295031706 434165178 /nfs/dbraw/zinc/16/51/78/434165178.db2.gz FGPRRUUWNNCGRA-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@H]1CN(CCCNc2cccc(Cl)c2C#N)CCCO1 ZINC000295064683 434172104 /nfs/dbraw/zinc/17/21/04/434172104.db2.gz PSJUSVKOTOFAFV-ZDUSSCGKSA-N 0 3 307.825 3.124 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000286169065 434184463 /nfs/dbraw/zinc/18/44/63/434184463.db2.gz OMYXDQGDOFQAHM-LNSITVRQSA-N 0 3 303.406 3.263 20 30 DGEDHN Cn1cc(CN2CCC(CF)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000295084907 434186519 /nfs/dbraw/zinc/18/65/19/434186519.db2.gz QUEDBXKXRQYPNJ-UHFFFAOYSA-N 0 3 312.392 3.140 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357852629 434216838 /nfs/dbraw/zinc/21/68/38/434216838.db2.gz BJOQPPAOSNPCMT-NUJGCVRESA-N 0 3 318.461 3.084 20 30 DGEDHN CCCN(CC(=O)N(CC)CCC#N)[C@H]1CCc2ccccc21 ZINC000346598865 434256041 /nfs/dbraw/zinc/25/60/41/434256041.db2.gz YXVJNALJCQEAMV-SFHVURJKSA-N 0 3 313.445 3.148 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347589504 434269183 /nfs/dbraw/zinc/26/91/83/434269183.db2.gz XVHUZPUROKPOPY-OAGGEKHMSA-N 0 3 307.482 3.141 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)CNC2 ZINC000347540663 434269399 /nfs/dbraw/zinc/26/93/99/434269399.db2.gz URTILRKTFDSZKJ-UHFFFAOYSA-N 0 3 306.409 3.161 20 30 DGEDHN C[C@H]1C[C@@H](c2cccnc2)N(CCOc2ccccc2C#N)C1 ZINC000364103404 434236040 /nfs/dbraw/zinc/23/60/40/434236040.db2.gz QWLPDOJDWCGNSS-YJBOKZPZSA-N 0 3 307.397 3.415 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCO1 ZINC000348358795 434291264 /nfs/dbraw/zinc/29/12/64/434291264.db2.gz QIPSWNBWIACKFX-KBPBESRZSA-N 0 3 310.344 3.207 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@H]2CCC(=O)NC23CCC3)cc1F ZINC000328719876 434300454 /nfs/dbraw/zinc/30/04/54/434300454.db2.gz VUGQBCDFVNGKLQ-AWEZNQCLSA-N 0 3 319.380 3.353 20 30 DGEDHN C[C@](O)(CNC(=O)C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000328746022 434306745 /nfs/dbraw/zinc/30/67/45/434306745.db2.gz LBTNPPKRMWIPBF-SFHVURJKSA-N 0 3 308.466 3.149 20 30 DGEDHN Cc1ccc(NC(=O)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)nc1 ZINC000328828103 434318029 /nfs/dbraw/zinc/31/80/29/434318029.db2.gz JTLJHXZRKIECRC-GDBMZVCRSA-N 0 3 312.417 3.382 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](O)CC(C)(C)C2)cc(OC)c1O ZINC000295346162 434321657 /nfs/dbraw/zinc/32/16/57/434321657.db2.gz YPNDAXGRLWMRIN-INIZCTEOSA-N 0 3 319.445 3.112 20 30 DGEDHN C[C@@H](C(=O)NCCc1cnc(C2CC2)nc1)N1[C@H](C)CC[C@@H]1C ZINC000328881109 434322277 /nfs/dbraw/zinc/32/22/77/434322277.db2.gz WHUNWQUEANIKJR-MJBXVCDLSA-N 0 3 316.449 3.114 20 30 DGEDHN C[C@H](NC(=O)C1CCCCC1)C(=O)NCC1=CCN(C)CC1 ZINC000329223277 434373187 /nfs/dbraw/zinc/37/31/87/434373187.db2.gz XUEVAICMPPVOHZ-ZDUSSCGKSA-N 0 3 307.438 3.130 20 30 DGEDHN O=C(Nc1ccc(OCC2CC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000329305659 434389674 /nfs/dbraw/zinc/38/96/74/434389674.db2.gz OYKOZDOFBMOPJE-HNNXBMFYSA-N 0 3 315.417 3.038 20 30 DGEDHN Cc1nsc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000329371681 434401148 /nfs/dbraw/zinc/40/11/48/434401148.db2.gz KDSXHKNVCGIIMP-DOMZBBRYSA-N 0 3 312.442 3.398 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000295555924 434414532 /nfs/dbraw/zinc/41/45/32/434414532.db2.gz SOTUVHHSOAWHBC-KRWDZBQOSA-N 0 3 318.461 3.405 20 30 DGEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H]1c1ccsc1 ZINC000329545314 434428613 /nfs/dbraw/zinc/42/86/13/434428613.db2.gz GMZXHPRGZYITHH-DOMZBBRYSA-N 0 3 316.430 3.080 20 30 DGEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1c1ccsc1 ZINC000329545314 434428620 /nfs/dbraw/zinc/42/86/20/434428620.db2.gz GMZXHPRGZYITHH-DOMZBBRYSA-N 0 3 316.430 3.080 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000287815785 434460871 /nfs/dbraw/zinc/46/08/71/434460871.db2.gz KKVCVUNOJHIWQF-QAPCUYQASA-N 0 3 306.413 3.418 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000296024432 434483620 /nfs/dbraw/zinc/48/36/20/434483620.db2.gz PSDQGHALNQAWFU-YESZJQIVSA-N 0 3 302.466 3.177 20 30 DGEDHN CC(C)C[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1 ZINC000329911761 434503235 /nfs/dbraw/zinc/50/32/35/434503235.db2.gz WORUKQSNNFJYLY-JKSUJKDBSA-N 0 3 318.465 3.118 20 30 DGEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450866166 434449512 /nfs/dbraw/zinc/44/95/12/434449512.db2.gz SYUQMRBTVHDYIW-GVDBMIGSSA-N 0 3 300.377 3.135 20 30 DGEDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000398108799 434455405 /nfs/dbraw/zinc/45/54/05/434455405.db2.gz CIURBLPNEPLADC-DNVCBOLYSA-N 0 3 320.440 3.584 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000403983597 434507924 /nfs/dbraw/zinc/50/79/24/434507924.db2.gz BNMZLJKQDMVAEO-HNNXBMFYSA-N 0 3 311.404 3.307 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000404741538 434519413 /nfs/dbraw/zinc/51/94/13/434519413.db2.gz BHJNFGKLTKQFLR-VXGBXAGGSA-N 0 3 321.396 3.089 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCCCC1 ZINC000458520399 434545852 /nfs/dbraw/zinc/54/58/52/434545852.db2.gz OQVNMBJMBWSWBA-LSDHHAIUSA-N 0 3 305.466 3.190 20 30 DGEDHN C=CCC[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000417909152 434545942 /nfs/dbraw/zinc/54/59/42/434545942.db2.gz HXWOKQFHFNMYFY-INMHGKMJSA-N 0 3 301.434 3.086 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](c3ccnn3C)C2)c1 ZINC000367467360 434549264 /nfs/dbraw/zinc/54/92/64/434549264.db2.gz NLRJPVYPWKYBJB-KRWDZBQOSA-N 0 3 311.429 3.365 20 30 DGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC23CCCC3)c(C#N)c1C ZINC000451459497 434568366 /nfs/dbraw/zinc/56/83/66/434568366.db2.gz QLKYHJZKPKAYJM-SWLSCSKDSA-N 0 3 315.417 3.408 20 30 DGEDHN Cc1sc(NC(=O)C2CCN(C3CC3)CC2)c(C#N)c1C ZINC000408447864 434576067 /nfs/dbraw/zinc/57/60/67/434576067.db2.gz JTUDHPBRCJJNQD-UHFFFAOYSA-N 0 3 303.431 3.050 20 30 DGEDHN C/C(Cl)=C\CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000528342053 295201272 /nfs/dbraw/zinc/20/12/72/295201272.db2.gz ZYXDHRVRLZILOA-VIZOYTHASA-N 0 3 303.837 3.209 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000368436418 434575304 /nfs/dbraw/zinc/57/53/04/434575304.db2.gz AQHGOZNMFPKIOV-OAHLLOKOSA-N 0 3 315.465 3.124 20 30 DGEDHN O=C(NCC1(O)CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC000330299245 295377277 /nfs/dbraw/zinc/37/72/77/295377277.db2.gz METVVUGUWWJZNV-INIZCTEOSA-N 0 3 308.466 3.435 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)[C@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389547 434645121 /nfs/dbraw/zinc/64/51/21/434645121.db2.gz OCLHNXYZBJOCMF-RTBURBONSA-N 0 3 314.473 3.425 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)nc2scc(C3CC3)n12 ZINC000459579756 434617467 /nfs/dbraw/zinc/61/74/67/434617467.db2.gz ZIDDFUXRGZXLFJ-CJNGLKHVSA-N 0 3 317.458 3.405 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000424086830 434620598 /nfs/dbraw/zinc/62/05/98/434620598.db2.gz HDODSMLMIBZGFC-MSOLQXFVSA-N 0 3 311.429 3.076 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000424109361 434624862 /nfs/dbraw/zinc/62/48/62/434624862.db2.gz AENUFTHPTOOQCP-SFHVURJKSA-N 0 3 313.445 3.021 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000424110694 434625598 /nfs/dbraw/zinc/62/55/98/434625598.db2.gz ZIQCZZCSFLFAEV-LJQANCHMSA-N 0 3 321.424 3.283 20 30 DGEDHN CC(NC(=O)[C@@H](N)CCCC#N)(c1ccccc1)c1ccccc1 ZINC000424117499 434627056 /nfs/dbraw/zinc/62/70/56/434627056.db2.gz ZAZNDCUONSRYOY-SFHVURJKSA-N 0 3 321.424 3.087 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424119001 434627288 /nfs/dbraw/zinc/62/72/88/434627288.db2.gz DBCKLTYFOOKBFE-HEHGZKQESA-N 0 3 321.852 3.312 20 30 DGEDHN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](N)CCCC#N ZINC000424122493 434627591 /nfs/dbraw/zinc/62/75/91/434627591.db2.gz JMTWGZHVDBLUTO-MAUKXSAKSA-N 0 3 313.445 3.397 20 30 DGEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OCCC(C)C ZINC000424123256 434628080 /nfs/dbraw/zinc/62/80/80/434628080.db2.gz KRMGMVQBWMUGPR-INIZCTEOSA-N 0 3 317.433 3.380 20 30 DGEDHN CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424116185 434628335 /nfs/dbraw/zinc/62/83/35/434628335.db2.gz XBDQIHCVORPVEG-CJNGLKHVSA-N 0 3 319.474 3.385 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000424129126 434630392 /nfs/dbraw/zinc/63/03/92/434630392.db2.gz GBXYKGOBDPANNH-OAHLLOKOSA-N 0 3 314.433 3.027 20 30 DGEDHN CC(C)(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424129224 434630671 /nfs/dbraw/zinc/63/06/71/434630671.db2.gz XOCCTBHWRRGTFH-LSDHHAIUSA-N 0 3 323.387 3.189 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000424128689 434631042 /nfs/dbraw/zinc/63/10/42/434631042.db2.gz WYDBVLLFAJYUDC-DLBZAZTESA-N 0 3 317.408 3.194 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc2ccccc2s1 ZINC000424142558 434633217 /nfs/dbraw/zinc/63/32/17/434633217.db2.gz PWIHVWJNVWOKKC-DGCLKSJQSA-N 0 3 301.415 3.100 20 30 DGEDHN CC[C@@H]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452524796 434637652 /nfs/dbraw/zinc/63/76/52/434637652.db2.gz IBZDUHUPONPDPE-SQNIBIBYSA-N 0 3 309.413 3.183 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(CCc3ccccc3)CC2)C1=O ZINC000410309435 434638887 /nfs/dbraw/zinc/63/88/87/434638887.db2.gz WYFRNCXRPBXTAC-LJQANCHMSA-N 0 3 312.457 3.118 20 30 DGEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)CC(C)(C)C)C1=O ZINC000410348681 434641099 /nfs/dbraw/zinc/64/10/99/434641099.db2.gz LVTBEPDWCJLBNL-QGZVFWFLSA-N 0 3 300.446 3.322 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H](C)CCCc1cccnc1 ZINC000459644693 434645876 /nfs/dbraw/zinc/64/58/76/434645876.db2.gz XKILJXAFOADKQU-HNNXBMFYSA-N 0 3 309.413 3.463 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnn(CC(F)F)c1 ZINC000418145155 434603358 /nfs/dbraw/zinc/60/33/58/434603358.db2.gz MAWTVTMNTUXTRN-MRXNPFEDSA-N 0 3 316.355 3.187 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000424171898 434644968 /nfs/dbraw/zinc/64/49/68/434644968.db2.gz MLFRYWPSPGJKPO-ZWKOTPCHSA-N 0 3 313.445 3.021 20 30 DGEDHN C=C(CNC(=O)NC[C@H](N)c1ccccc1CC)c1ccccc1 ZINC000418194834 434608724 /nfs/dbraw/zinc/60/87/24/434608724.db2.gz FTWFMWADTFOOAC-IBGZPJMESA-N 0 3 323.440 3.261 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440337781 434697089 /nfs/dbraw/zinc/69/70/89/434697089.db2.gz ZGWGAXAUUMYBBM-JXFKEZNVSA-N 0 3 312.457 3.047 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)Cc1ccc(C#N)cc1F ZINC000459755701 434698655 /nfs/dbraw/zinc/69/86/55/434698655.db2.gz SKYYRPLFIRVGQH-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCc3ccncc3)cc2)C1 ZINC000424187301 434651325 /nfs/dbraw/zinc/65/13/25/434651325.db2.gz ASKJBRPGYYACIC-MSOLQXFVSA-N 0 3 307.397 3.442 20 30 DGEDHN CCCNc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424193291 434653956 /nfs/dbraw/zinc/65/39/56/434653956.db2.gz QIFMVNLLIYWFDV-GFCCVEGCSA-N 0 3 308.813 3.122 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000424189198 434654300 /nfs/dbraw/zinc/65/43/00/434654300.db2.gz LVHZFQWIUYHBMW-GOSISDBHSA-N 0 3 319.408 3.264 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000349316191 434671693 /nfs/dbraw/zinc/67/16/93/434671693.db2.gz NRMOBVQYLXJJGA-UHFFFAOYSA-N 0 3 307.441 3.431 20 30 DGEDHN CSc1cc2c(cc1CNCC(C)(C)CC#N)OCCO2 ZINC000459727529 434680684 /nfs/dbraw/zinc/68/06/84/434680684.db2.gz GWCLXUXRBKYVIM-UHFFFAOYSA-N 0 3 306.431 3.209 20 30 DGEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1c(F)cccc1F ZINC000459732030 434682685 /nfs/dbraw/zinc/68/26/85/434682685.db2.gz OCNPLMWFCBNIEQ-UHFFFAOYSA-N 0 3 304.344 3.384 20 30 DGEDHN COc1cc(CNCCOc2c(C)cccc2C)ccc1C#N ZINC000440807120 434746041 /nfs/dbraw/zinc/74/60/41/434746041.db2.gz NFWLCNTVAZUXEU-UHFFFAOYSA-N 0 3 310.397 3.352 20 30 DGEDHN C=CCC(C)(C)CN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419186786 434748401 /nfs/dbraw/zinc/74/84/01/434748401.db2.gz QLLZXXPKFDMHFL-AWEZNQCLSA-N 0 3 307.438 3.672 20 30 DGEDHN CO[C@H](CC(C)C)CN1CCCN(c2ccccc2C#N)CC1 ZINC000419182777 434749420 /nfs/dbraw/zinc/74/94/20/434749420.db2.gz HVLGMWXERIJDIF-GOSISDBHSA-N 0 3 315.461 3.131 20 30 DGEDHN CO[C@H](CC(C)C)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000419218599 434750416 /nfs/dbraw/zinc/75/04/16/434750416.db2.gz SHZPYJVOOLRMLB-LJQANCHMSA-N 0 3 316.445 3.463 20 30 DGEDHN CCC(CC)(CC(=O)OC)NCC#Cc1cccc(Cl)c1 ZINC000440896708 434752264 /nfs/dbraw/zinc/75/22/64/434752264.db2.gz SPPBZBICWXTVJB-UHFFFAOYSA-N 0 3 307.821 3.403 20 30 DGEDHN Cc1cc(CN[C@]2(CO)CCCc3ccccc32)ccc1C#N ZINC000440467126 434701469 /nfs/dbraw/zinc/70/14/69/434701469.db2.gz GQDJMKCYAYSFHZ-FQEVSTJZSA-N 0 3 306.409 3.180 20 30 DGEDHN N#CCc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000440470448 434701836 /nfs/dbraw/zinc/70/18/36/434701836.db2.gz XUTVEEXJNNHJQC-FQEVSTJZSA-N 0 3 306.409 3.066 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCO[C@H]1CC ZINC000459792776 434722200 /nfs/dbraw/zinc/72/22/00/434722200.db2.gz JHKGSVHOIFDDMY-HIFRSBDPSA-N 0 3 320.458 3.060 20 30 DGEDHN C=CCN1CC[C@H](N[C@H]2CC(C)(C)CCc3ccccc32)C1=O ZINC000440649882 434731339 /nfs/dbraw/zinc/73/13/39/434731339.db2.gz SWEOPUAAPJWBMK-ROUUACIJSA-N 0 3 312.457 3.467 20 30 DGEDHN CC#CCCNCc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000360958478 434744349 /nfs/dbraw/zinc/74/43/49/434744349.db2.gz QHSWCCGCIHFNTO-UHFFFAOYSA-N 0 3 311.429 3.060 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncnc3cc(F)c(F)cc32)CC1 ZINC000361015485 434766952 /nfs/dbraw/zinc/76/69/52/434766952.db2.gz BVZDBRNPIVLKPA-UHFFFAOYSA-N 0 3 318.371 3.360 20 30 DGEDHN CC[C@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)[C@H]1CC1(C)C ZINC000419314658 434771269 /nfs/dbraw/zinc/77/12/69/434771269.db2.gz IFKMPCDGXZMTLF-KGLIPLIRSA-N 0 3 303.406 3.121 20 30 DGEDHN C=CCNC(=O)CN1CCC[C@H](CCCc2ccccc2)C1 ZINC000441190666 434762266 /nfs/dbraw/zinc/76/22/66/434762266.db2.gz SYZXDWJHGZLUEA-SFHVURJKSA-N 0 3 300.446 3.024 20 30 DGEDHN C[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000443649866 434780446 /nfs/dbraw/zinc/78/04/46/434780446.db2.gz HQQKYDAABSXDFE-HOTGVXAUSA-N 0 3 305.466 3.039 20 30 DGEDHN N#Cc1cccc(NC(=O)CCNC2(c3ccccc3)CC2)c1 ZINC000411461089 434784131 /nfs/dbraw/zinc/78/41/31/434784131.db2.gz VXOGIYCVAOWGBW-UHFFFAOYSA-N 0 3 305.381 3.166 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419372884 434780945 /nfs/dbraw/zinc/78/09/45/434780945.db2.gz MXRIYXFBLTWDKG-LTIDMASMSA-N 0 3 313.445 3.298 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)NC(C2CC2)C2CC2)CCCC1(C)C ZINC000444792224 434791420 /nfs/dbraw/zinc/79/14/20/434791420.db2.gz OPYCFAKLLZSHJP-INIZCTEOSA-N 0 3 304.478 3.358 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nc2cc(F)ccc2n1CC ZINC000411641242 434811835 /nfs/dbraw/zinc/81/18/35/434811835.db2.gz LRDJLHKZSGFGGQ-UHFFFAOYSA-N 0 3 318.440 3.135 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000411641944 434813045 /nfs/dbraw/zinc/81/30/45/434813045.db2.gz MNCFEWRCWIGQJL-HNNXBMFYSA-N 0 3 314.433 3.237 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000411640886 434813389 /nfs/dbraw/zinc/81/33/89/434813389.db2.gz LDJRRIWSVWTHGR-CYBMUJFWSA-N 0 3 320.462 3.299 20 30 DGEDHN Cc1ccccc1CN1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000361153721 434814443 /nfs/dbraw/zinc/81/44/43/434814443.db2.gz LPKJEJBLWRDYPH-UHFFFAOYSA-N 0 3 309.413 3.168 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](NCCC1(C#N)CCCCC1)C(N)=O ZINC000411758221 434827392 /nfs/dbraw/zinc/82/73/92/434827392.db2.gz MQZVYXFRTWSZTP-NVXWUHKLSA-N 0 3 313.445 3.098 20 30 DGEDHN CCNC(=O)C(C)(C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000411812878 434831436 /nfs/dbraw/zinc/83/14/36/434831436.db2.gz ALBJVNAVPYOUQF-UHFFFAOYSA-N 0 3 321.424 3.230 20 30 DGEDHN C=CCN1CCC(N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000361215311 434831496 /nfs/dbraw/zinc/83/14/96/434831496.db2.gz IRSSUDOAYRQXRV-CYBMUJFWSA-N 0 3 322.424 3.144 20 30 DGEDHN N#Cc1cccc(OCCCN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411951254 434847451 /nfs/dbraw/zinc/84/74/51/434847451.db2.gz RVURLAJGAQMAAQ-AZUAARDMSA-N 0 3 322.408 3.135 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000521231636 434876410 /nfs/dbraw/zinc/87/64/10/434876410.db2.gz YFNKRANKKSMKQX-MRXNPFEDSA-N 0 3 300.406 3.001 20 30 DGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000573318128 434888089 /nfs/dbraw/zinc/88/80/89/434888089.db2.gz GSLJRBWFHMWDDS-XYPHTWIQSA-N 0 3 301.365 3.079 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000573376154 434894584 /nfs/dbraw/zinc/89/45/84/434894584.db2.gz IZRJVOYGTUNRJV-RDJZCZTQSA-N 0 3 304.390 3.134 20 30 DGEDHN CC(C)(C)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000554102441 434914348 /nfs/dbraw/zinc/91/43/48/434914348.db2.gz RTFXWDDAMCWERO-INIZCTEOSA-N 0 3 311.429 3.429 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000461111262 434872198 /nfs/dbraw/zinc/87/21/98/434872198.db2.gz JQJFNWIBAWBECM-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN Cc1ccc2c(c1)[C@H](NCc1cnc3c(C#N)cnn3c1)CCC2 ZINC000574206292 434959079 /nfs/dbraw/zinc/95/90/79/434959079.db2.gz RVKWVNOWUISTKI-GOSISDBHSA-N 0 3 317.396 3.077 20 30 DGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000555261002 434967311 /nfs/dbraw/zinc/96/73/11/434967311.db2.gz NSONVYGYEHDQHG-HOTGVXAUSA-N 0 3 319.497 3.144 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CCNC[C@@H](C#N)CCC#N)cc2)n1 ZINC000554487826 434929543 /nfs/dbraw/zinc/92/95/43/434929543.db2.gz QEODIDUZLAAJDA-GOSISDBHSA-N 0 3 321.428 3.065 20 30 DGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000522846727 434933839 /nfs/dbraw/zinc/93/38/39/434933839.db2.gz SAINAVRIEFMALW-JTQLQIEISA-N 0 3 309.207 3.003 20 30 DGEDHN COc1ccc([C@H](NCc2ccc(C#N)c(OC)c2)C2CC2)cn1 ZINC000527841027 435015710 /nfs/dbraw/zinc/01/57/10/435015710.db2.gz MEJWOTRPIRPYAZ-LJQANCHMSA-N 0 3 323.396 3.211 20 30 DGEDHN CC(C)[C@@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000528637611 435026771 /nfs/dbraw/zinc/02/67/71/435026771.db2.gz GUSGBQLDMDXDFE-UXHICEINSA-N 0 3 324.472 3.272 20 30 DGEDHN Cc1ccc2occ(CC(=O)C(C#N)C(=O)NC3CCCC3)c2c1 ZINC000528923252 435031419 /nfs/dbraw/zinc/03/14/19/435031419.db2.gz FOPFLXCIPNXJNH-INIZCTEOSA-N 0 3 324.380 3.051 20 30 DGEDHN COC(=O)c1cccc(CN2CCC[C@@H]2CC(C)C)c1C#N ZINC000555642360 434982545 /nfs/dbraw/zinc/98/25/45/434982545.db2.gz IUMYURRGITZPFR-OAHLLOKOSA-N 0 3 300.402 3.355 20 30 DGEDHN C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CN1C1CC1 ZINC000574499947 434983555 /nfs/dbraw/zinc/98/35/55/434983555.db2.gz DFMUFRBPJHIQLR-ONGXEEELSA-N 0 3 310.323 3.009 20 30 DGEDHN C[C@@H](N[C@@H]1CCn2ccnc2C1)c1ccc(C#N)cc1Cl ZINC000555788496 434986330 /nfs/dbraw/zinc/98/63/30/434986330.db2.gz KUONZZYJKUDLAF-DGCLKSJQSA-N 0 3 300.793 3.074 20 30 DGEDHN CCC[C@]1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000464843519 435007177 /nfs/dbraw/zinc/00/71/77/435007177.db2.gz VNXZWXZOTDCWHW-LJQANCHMSA-N 0 3 313.445 3.077 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000525953610 435008427 /nfs/dbraw/zinc/00/84/27/435008427.db2.gz YECQXGHWCZDFHA-WBVHZDCISA-N 0 3 314.429 3.137 20 30 DGEDHN CC[C@@H]1CN(c2cc(C)nc(C#N)c2)CCN1Cc1ccccc1 ZINC000557632490 435060321 /nfs/dbraw/zinc/06/03/21/435060321.db2.gz KTUOFJWNZKOMGQ-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNc1nccc(C#N)c1Cl ZINC000577378633 435061005 /nfs/dbraw/zinc/06/10/05/435061005.db2.gz CJQGEGAAXSEJFD-CQSZACIVSA-N 0 3 306.841 3.673 20 30 DGEDHN CN(C)[C@H](CNc1ncc2c(c1C#N)CCC2)c1cccc(F)c1 ZINC000578233081 435070200 /nfs/dbraw/zinc/07/02/00/435070200.db2.gz BPEVUKUVIDJPIK-GOSISDBHSA-N 0 3 324.403 3.296 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000556926718 435038120 /nfs/dbraw/zinc/03/81/20/435038120.db2.gz ILVVLBOBMPPXSQ-MRXNPFEDSA-N 0 3 317.429 3.415 20 30 DGEDHN CC(C#N)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000529751533 435039988 /nfs/dbraw/zinc/03/99/88/435039988.db2.gz KJOOBLGLTGWBCJ-NKWVEPMBSA-N 0 3 317.133 3.064 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000529751535 435040218 /nfs/dbraw/zinc/04/02/18/435040218.db2.gz KJOOBLGLTGWBCJ-RQJHMYQMSA-N 0 3 317.133 3.064 20 30 DGEDHN C[C@H]1CC(F)(F)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000530009616 435041887 /nfs/dbraw/zinc/04/18/87/435041887.db2.gz RRQFDRWWDIJWLT-DZGCQCFKSA-N 0 3 306.356 3.405 20 30 DGEDHN COc1cccc(C[C@@H]2CCCCCN2C(=O)C(C)C#N)c1 ZINC000529963702 435041906 /nfs/dbraw/zinc/04/19/06/435041906.db2.gz YEAGDKYTKMIQOC-ZBFHGGJFSA-N 0 3 300.402 3.169 20 30 DGEDHN CN1CCN(CCCC2(C#N)CCOCC2)CC12CCCCC2 ZINC000576475946 435056119 /nfs/dbraw/zinc/05/61/19/435056119.db2.gz QJHGXZRNJMAUOM-UHFFFAOYSA-N 0 3 319.493 3.037 20 30 DGEDHN C=C(C)CN1CCC(Nc2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000576767126 435056640 /nfs/dbraw/zinc/05/66/40/435056640.db2.gz HVDZWQLRJUBRGH-UHFFFAOYSA-N 0 3 320.440 3.289 20 30 DGEDHN CCN(C(=O)CN1CCC(C)(C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000578570377 435093665 /nfs/dbraw/zinc/09/36/65/435093665.db2.gz JTLXGWHOTOYOJV-OAHLLOKOSA-N 0 3 313.445 3.200 20 30 DGEDHN N#Cc1csc(CNCC2(CO)CC(c3ccccc3)C2)c1 ZINC000559469461 435134083 /nfs/dbraw/zinc/13/40/83/435134083.db2.gz ZGWNTKRKATWYAP-UHFFFAOYSA-N 0 3 312.438 3.266 20 30 DGEDHN C=CCCCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000472863666 435142423 /nfs/dbraw/zinc/14/24/23/435142423.db2.gz OUOCWSRVZIGQBF-KRWDZBQOSA-N 0 3 303.450 3.253 20 30 DGEDHN C[C@@H]1C[C@H]1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475350716 435192490 /nfs/dbraw/zinc/19/24/90/435192490.db2.gz RIOBXEVFCUTDQM-UKPHBRMFSA-N 0 3 303.837 3.178 20 30 DGEDHN CN(C)[C@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1 ZINC000579930074 435193242 /nfs/dbraw/zinc/19/32/42/435193242.db2.gz QAQLRWFOUDHZFE-GOSISDBHSA-N 0 3 307.397 3.214 20 30 DGEDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000580068929 435201871 /nfs/dbraw/zinc/20/18/71/435201871.db2.gz AXWZUUHHZQOOOS-DOTOQJQBSA-N 0 3 305.466 3.182 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCC(C#N)CC2)C1 ZINC000495548047 435203012 /nfs/dbraw/zinc/20/30/12/435203012.db2.gz IEPJYLVBMWRHLS-INIZCTEOSA-N 0 3 321.465 3.259 20 30 DGEDHN N#CCc1ccccc1NC(=O)CCN1CCc2ccccc2C1 ZINC000580093172 435204988 /nfs/dbraw/zinc/20/49/88/435204988.db2.gz BACUESRAVBPURO-UHFFFAOYSA-N 0 3 319.408 3.140 20 30 DGEDHN COCC1(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000532473402 435170196 /nfs/dbraw/zinc/17/01/96/435170196.db2.gz YZWHCPHSJAKIAV-UHFFFAOYSA-N 0 3 322.408 3.406 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000533400098 435235637 /nfs/dbraw/zinc/23/56/37/435235637.db2.gz FJNXORLPEWNOAV-IAGOWNOFSA-N 0 3 300.446 3.311 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496306377 298365472 /nfs/dbraw/zinc/36/54/72/298365472.db2.gz KZADPIOURBAYEG-RBSFLKMASA-N 0 3 307.438 3.010 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCSC1 ZINC000583907793 435253665 /nfs/dbraw/zinc/25/36/65/435253665.db2.gz YMFKTPUARNHIRN-HZPDHXFCSA-N 0 3 302.443 3.018 20 30 DGEDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cccc(CC#N)c2)cc1 ZINC000565148993 435277832 /nfs/dbraw/zinc/27/78/32/435277832.db2.gz ZABQXIFONVPSPP-LJQANCHMSA-N 0 3 321.424 3.306 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C1(CC)CC ZINC000584180490 435281251 /nfs/dbraw/zinc/28/12/51/435281251.db2.gz QBKJNTHXDXPWPX-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN CC(C)CC[C@@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000567042660 435289896 /nfs/dbraw/zinc/28/98/96/435289896.db2.gz PZLSSWXYJKDTRU-MRXNPFEDSA-N 0 3 313.363 3.444 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000500149279 435303682 /nfs/dbraw/zinc/30/36/82/435303682.db2.gz NVQBDFVSSLKBPO-WBVHZDCISA-N 0 3 300.446 3.225 20 30 DGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C2CC2)cc1 ZINC000562826804 435263631 /nfs/dbraw/zinc/26/36/31/435263631.db2.gz XXBJOTNUGHLBER-KGLIPLIRSA-N 0 3 311.429 3.166 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000643778771 435370245 /nfs/dbraw/zinc/37/02/45/435370245.db2.gz NAJUTWQFPKKGFJ-LBPRGKRZSA-N 0 3 307.275 3.237 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@H](c3ccc(CC)cc3)C2)C1=O ZINC000513420699 435389002 /nfs/dbraw/zinc/38/90/02/435389002.db2.gz QARBQQHQYQGTQU-RTBURBONSA-N 0 3 312.457 3.215 20 30 DGEDHN CC[C@H](C)CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000480713249 435393747 /nfs/dbraw/zinc/39/37/47/435393747.db2.gz FADIVLFMGQBSNL-HNNXBMFYSA-N 0 3 308.429 3.275 20 30 DGEDHN C=C(CC)CN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000538002226 435480478 /nfs/dbraw/zinc/48/04/78/435480478.db2.gz ITTISFHLRQJYCV-UHFFFAOYSA-N 0 3 304.434 3.182 20 30 DGEDHN C=C(C)CN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000482197913 435456612 /nfs/dbraw/zinc/45/66/12/435456612.db2.gz GASPWMAJVGWHPO-KRWDZBQOSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644425077 435441317 /nfs/dbraw/zinc/44/13/17/435441317.db2.gz IJPDFYURMNEGEV-DZGCQCFKSA-N 0 3 315.335 3.187 20 30 DGEDHN C[C@@H]1CCc2ccccc2[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000515846163 435504802 /nfs/dbraw/zinc/50/48/02/435504802.db2.gz IAOYFNOOHCLELG-ACJLOTCBSA-N 0 3 317.396 3.014 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)C)C1 ZINC000483269426 435506180 /nfs/dbraw/zinc/50/61/80/435506180.db2.gz LLDLIPVTROGXAO-VKJFTORMSA-N 0 3 307.482 3.187 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000515486639 435486558 /nfs/dbraw/zinc/48/65/58/435486558.db2.gz BVVSXSCPZVPNIQ-XJKSGUPXSA-N 0 3 317.389 3.103 20 30 DGEDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000538408487 435497270 /nfs/dbraw/zinc/49/72/70/435497270.db2.gz XUGXLPMUWFZTEF-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000483137988 435499198 /nfs/dbraw/zinc/49/91/98/435499198.db2.gz LZVCATCWKHORBY-ULQDDVLXSA-N 0 3 321.509 3.398 20 30 DGEDHN CCCC1CCC(N(C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000484890376 435555342 /nfs/dbraw/zinc/55/53/42/435555342.db2.gz FBLWEAREIPOILD-HTWSVDAQSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(CC)CN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000539103080 435540632 /nfs/dbraw/zinc/54/06/32/435540632.db2.gz ALDHEFISCOFKCY-AWEZNQCLSA-N 0 3 317.351 3.343 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CNC1(C2CC2)CC1 ZINC000541594833 435643295 /nfs/dbraw/zinc/64/32/95/435643295.db2.gz GMSAOQRENCPNRP-UHFFFAOYSA-N 0 3 302.443 3.435 20 30 DGEDHN Cc1nc(N2CCN(C3CCC3)C[C@@H](C)C2)c(Cl)cc1C#N ZINC000488738168 435643945 /nfs/dbraw/zinc/64/39/45/435643945.db2.gz UZTFMGJXKNSTOH-GFCCVEGCSA-N 0 3 318.852 3.226 20 30 DGEDHN COc1cc(CNC2(c3ccccc3)CCOCC2)ccc1C#N ZINC000518889999 435657837 /nfs/dbraw/zinc/65/78/37/435657837.db2.gz XBXGEEDMBMHKKE-UHFFFAOYSA-N 0 3 322.408 3.362 20 30 DGEDHN C=CCC1(CNC(=O)N(CCC)[C@H]2CCN(C)C2)CCCC1 ZINC000645530984 435659314 /nfs/dbraw/zinc/65/93/14/435659314.db2.gz MUNGIYSBVNCPOE-INIZCTEOSA-N 0 3 307.482 3.249 20 30 DGEDHN CCOC(=O)CC(C)(C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000490648890 435669046 /nfs/dbraw/zinc/66/90/46/435669046.db2.gz GVEWNVXOTDMSPL-UHFFFAOYSA-N 0 3 307.821 3.355 20 30 DGEDHN C[C@H]1CN(CCC(C)(C)C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494419450 300253962 /nfs/dbraw/zinc/25/39/62/300253962.db2.gz VDRZPFWODOCCKI-UONOGXRCSA-N 0 3 309.454 3.161 20 30 DGEDHN C=C(C)CN1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1 ZINC000571297182 435695288 /nfs/dbraw/zinc/69/52/88/435695288.db2.gz IPDYRZMLIUAJIP-UHFFFAOYSA-N 0 3 321.428 3.196 20 30 DGEDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000571284713 435695770 /nfs/dbraw/zinc/69/57/70/435695770.db2.gz LXGIMRXSEFLDKV-CJNGLKHVSA-N 0 3 311.433 3.248 20 30 DGEDHN C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN(C2CCC2)C1 ZINC000488753513 300301794 /nfs/dbraw/zinc/30/17/94/300301794.db2.gz ZFTGBPNVZGCMJW-OAHLLOKOSA-N 0 3 324.472 3.143 20 30 DGEDHN C=CCN(CCOc1cccc(OC)c1)CCc1ccco1 ZINC000491287158 435727249 /nfs/dbraw/zinc/72/72/49/435727249.db2.gz ZVDHCUYECUNZOP-UHFFFAOYSA-N 0 3 301.386 3.398 20 30 DGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1(C#N)CC(C)C1)N(C)C ZINC000571712484 435728514 /nfs/dbraw/zinc/72/85/14/435728514.db2.gz NHTFDJPGLKYVQQ-SUUVNEMCSA-N 0 3 313.445 3.042 20 30 DGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C1(C#N)CC(C)C1)N(C)C ZINC000571712485 435728878 /nfs/dbraw/zinc/72/88/78/435728878.db2.gz NHTFDJPGLKYVQQ-XEUAFLOLSA-N 0 3 313.445 3.042 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](O)COc1cccc(C)c1 ZINC000491394252 435740858 /nfs/dbraw/zinc/74/08/58/435740858.db2.gz GVYLLMBLPULNKO-QGZVFWFLSA-N 0 3 315.413 3.058 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@]2(C)Cc2ccccc2F)C1=O ZINC000646010052 435743407 /nfs/dbraw/zinc/74/34/07/435743407.db2.gz MQOUMEQPPFUJSW-HKUYNNGSSA-N 0 3 316.420 3.010 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000491406485 435747360 /nfs/dbraw/zinc/74/73/60/435747360.db2.gz OACWFKWGBONBCO-UXHICEINSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN(CCc1nnn(C(C)(C)C)n1)Cc1ccccc1 ZINC000660446138 435750382 /nfs/dbraw/zinc/75/03/82/435750382.db2.gz PTTNWEAYTROTMN-UHFFFAOYSA-N 0 3 313.449 3.049 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000572153222 435788069 /nfs/dbraw/zinc/78/80/69/435788069.db2.gz KCVBRUIKKWOVJN-HXUWFJFHSA-N 0 3 320.436 3.131 20 30 DGEDHN C#C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000491690918 435793439 /nfs/dbraw/zinc/79/34/39/435793439.db2.gz CQIWUSOMOYAGLY-MJGOQNOKSA-N 0 3 320.367 3.389 20 30 DGEDHN COCC#CCN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000650087202 435812988 /nfs/dbraw/zinc/81/29/88/435812988.db2.gz MQJDFEGKJZGUSB-HNNXBMFYSA-N 0 3 315.335 3.022 20 30 DGEDHN CC#CC[C@@H](CO)NCc1c(OC(F)F)ccc2ccccc21 ZINC000641768910 435817027 /nfs/dbraw/zinc/81/70/27/435817027.db2.gz LOFGHWXISBYEJL-AWEZNQCLSA-N 0 3 319.351 3.305 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(CCC)[C@H]2CCN(C)C2)c1 ZINC000646241799 435819547 /nfs/dbraw/zinc/81/95/47/435819547.db2.gz JYUFWUKDFYWBSZ-INIZCTEOSA-N 0 3 317.433 3.199 20 30 DGEDHN C=CCOc1ccc(CN(CC)[C@@H]2CCCOC2)cc1OC ZINC000651947286 435873570 /nfs/dbraw/zinc/87/35/70/435873570.db2.gz BJKKCFHRZJKWFL-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000660867738 435910597 /nfs/dbraw/zinc/91/05/97/435910597.db2.gz FSKRBGKOIXDESH-AIANPOQGSA-N 0 3 305.466 3.046 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000660859084 435912034 /nfs/dbraw/zinc/91/20/34/435912034.db2.gz VYORZRUURGYDCF-CVEARBPZSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000665392922 435965821 /nfs/dbraw/zinc/96/58/21/435965821.db2.gz JGMQWMAQOGVSLB-GVDBMIGSSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000665395019 435967929 /nfs/dbraw/zinc/96/79/29/435967929.db2.gz ZNTJMJDBJLFHFN-BRWVUGGUSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(CO)cc2)cc1OC ZINC000647229729 435982560 /nfs/dbraw/zinc/98/25/60/435982560.db2.gz WLKVSTJPOSSBKA-UHFFFAOYSA-N 0 3 313.397 3.042 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(Cl)cc1)[C@@H](C)COC ZINC000661239186 436003859 /nfs/dbraw/zinc/00/38/59/436003859.db2.gz CLBWQKDPBNCPOA-ZDUSSCGKSA-N 0 3 310.825 3.192 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCCC1 ZINC000665588442 436012077 /nfs/dbraw/zinc/01/20/77/436012077.db2.gz ULLGWVRBJNNUKB-QGZVFWFLSA-N 0 3 317.477 3.169 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000661386595 436050431 /nfs/dbraw/zinc/05/04/31/436050431.db2.gz UEEGCLYLDOJUIT-LBPRGKRZSA-N 0 3 315.339 3.206 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661395036 436051848 /nfs/dbraw/zinc/05/18/48/436051848.db2.gz CEMYYSNMTFQCMM-CQSZACIVSA-N 0 3 321.490 3.319 20 30 DGEDHN C=CCCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661571191 436110931 /nfs/dbraw/zinc/11/09/31/436110931.db2.gz QYWDRTCYLLBDRC-GOSISDBHSA-N 0 3 315.461 3.116 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C)[C@@H]2C)c1 ZINC000177907832 301224888 /nfs/dbraw/zinc/22/48/88/301224888.db2.gz HXHWFNHFOARGSG-IRXDYDNUSA-N 0 3 313.445 3.280 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C)[C@H]2C)c1 ZINC000248338671 301224937 /nfs/dbraw/zinc/22/49/37/301224937.db2.gz HXHWFNHFOARGSG-DLBZAZTESA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCC1(NCC(=O)Nc2cc(OC)ccc2OC)CCCC1 ZINC000661862995 436214664 /nfs/dbraw/zinc/21/46/64/436214664.db2.gz MAOZDESRDYOAAH-UHFFFAOYSA-N 0 3 318.417 3.121 20 30 DGEDHN C=CCCn1cc(CN[C@H](Cc2ccc(F)cc2)C(C)C)nn1 ZINC000653608698 436222483 /nfs/dbraw/zinc/22/24/83/436222483.db2.gz ALXJSISABKLUGE-GOSISDBHSA-N 0 3 316.424 3.350 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)nn1 ZINC000653633909 436229368 /nfs/dbraw/zinc/22/93/68/436229368.db2.gz CUSBDVVAGQPQEU-PKOBYXMFSA-N 0 3 310.445 3.355 20 30 DGEDHN C=CCOc1ccc(CNCCO[C@H]2CC2(F)F)cc1Cl ZINC000657618028 436261448 /nfs/dbraw/zinc/26/14/48/436261448.db2.gz HJXGIXJYTZEGNX-AWEZNQCLSA-N 0 3 317.763 3.419 20 30 DGEDHN C=CCOc1ccccc1CNCC1(O)CCC(F)(F)CC1 ZINC000657776607 436301048 /nfs/dbraw/zinc/30/10/48/436301048.db2.gz RJRGCIRJBHPBRO-UHFFFAOYSA-N 0 3 311.372 3.281 20 30 DGEDHN C=CCC[C@H](NCCC1(CS(C)(=O)=O)CC1)c1ccco1 ZINC000658080242 436367718 /nfs/dbraw/zinc/36/77/18/436367718.db2.gz GVKZKKIVNMJMDZ-AWEZNQCLSA-N 0 3 311.447 3.091 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)c1cccc2c1CCNC2 ZINC000662526714 436358734 /nfs/dbraw/zinc/35/87/34/436358734.db2.gz JLEGSONEBOACPA-UHFFFAOYSA-N 0 3 324.399 3.300 20 30 DGEDHN C=C(CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000654563675 436434106 /nfs/dbraw/zinc/43/41/06/436434106.db2.gz OMDSTJKYPFWNRK-ROUUACIJSA-N 0 3 313.445 3.016 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC(CC)(CC)c1ccc(F)cc1 ZINC000663313222 436435980 /nfs/dbraw/zinc/43/59/80/436435980.db2.gz VAKWQKVODKMUMG-AWEZNQCLSA-N 0 3 306.425 3.164 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)c2c(C3CC3)cnn2C)n1 ZINC000659115442 436461982 /nfs/dbraw/zinc/46/19/82/436461982.db2.gz WCCBBYSMGLTVDV-NSHDSACASA-N 0 3 314.414 3.367 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CC2CCCC2)CC1 ZINC000654431380 436414083 /nfs/dbraw/zinc/41/40/83/436414083.db2.gz IIVYGYZUVQDLIQ-GOSISDBHSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCN1CCC(Nc2cc(Cl)c3ncccc3n2)CC1 ZINC000663570453 436478946 /nfs/dbraw/zinc/47/89/46/436478946.db2.gz WBJMELGISIKEEL-UHFFFAOYSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCCC1(CNC(=O)[C@H](N)Cc2ccccc2)CCCC1 ZINC000659335287 436496099 /nfs/dbraw/zinc/49/60/99/436496099.db2.gz XYJLPSSNYFALAF-QGZVFWFLSA-N 0 3 300.446 3.199 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659369726 436501182 /nfs/dbraw/zinc/50/11/82/436501182.db2.gz TXIXHLPYOPMIDT-QGZVFWFLSA-N 0 3 300.402 3.054 20 30 DGEDHN C=CCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000660213227 436606574 /nfs/dbraw/zinc/60/65/74/436606574.db2.gz BWUSHCYOYQCUDU-HNNXBMFYSA-N 0 3 321.490 3.396 20 30 DGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)CC(C)(C)C#N)N(C)C ZINC000357863487 302201690 /nfs/dbraw/zinc/20/16/90/302201690.db2.gz YOWMJFPBNJFKFX-YOEHRIQHSA-N 0 3 301.434 3.042 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000174357471 312762755 /nfs/dbraw/zinc/76/27/55/312762755.db2.gz DHXURNCDTGPWMH-KXBFYZLASA-N 0 3 319.408 3.404 20 30 DGEDHN COc1ccc(O[C@H](C)CNCc2cc(C#N)cs2)cc1 ZINC000177707371 312783497 /nfs/dbraw/zinc/78/34/97/312783497.db2.gz CUQHYGMNFBHPAR-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN Cc1cccc(C(C)(C)NCC(=O)Nc2cccc(C#N)c2)c1 ZINC000179584327 312810151 /nfs/dbraw/zinc/81/01/51/312810151.db2.gz VDOIXORDHLNBHY-UHFFFAOYSA-N 0 3 307.397 3.330 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(C#N)cc1F ZINC000343827301 312844041 /nfs/dbraw/zinc/84/40/41/312844041.db2.gz AKJLPXONOGPBQG-HYEYJGRESA-N 0 3 300.377 3.306 20 30 DGEDHN N#Cc1ccc(OCCN[C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000542494739 314080092 /nfs/dbraw/zinc/08/00/92/314080092.db2.gz YDYHZNPSKKEIDP-QGZVFWFLSA-N 0 3 321.380 3.000 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000544898356 314216821 /nfs/dbraw/zinc/21/68/21/314216821.db2.gz QEGIHZAXGZMHSD-SJLPKXTDSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)NCc1ccc(C#N)cc1 ZINC000546934718 314337389 /nfs/dbraw/zinc/33/73/89/314337389.db2.gz CYOZKWNWODHTFZ-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1scc(C)c1C#N ZINC000563357806 315106258 /nfs/dbraw/zinc/10/62/58/315106258.db2.gz UZTSRVXEPOFWQT-UHFFFAOYSA-N 0 3 320.462 3.268 20 30 DGEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3ccc(C#N)cn3)C2)c1 ZINC000564465568 315178148 /nfs/dbraw/zinc/17/81/48/315178148.db2.gz QHZYJQZROVDTNE-SAABIXHNSA-N 0 3 307.397 3.340 20 30 DGEDHN Cc1cnccc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000564527984 315180983 /nfs/dbraw/zinc/18/09/83/315180983.db2.gz SGFGZHMVGOJKGJ-QGZVFWFLSA-N 0 3 324.403 3.159 20 30 DGEDHN CCO[C@@H]1C[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000571965593 315757075 /nfs/dbraw/zinc/75/70/75/315757075.db2.gz KAJGWQZXWGDIAG-VQTJNVASSA-N 0 3 322.408 3.404 20 30 DGEDHN Cc1cc(CNC[C@H](c2ccco2)N2CCCC2)ccc1C#N ZINC000443981513 533703484 /nfs/dbraw/zinc/70/34/84/533703484.db2.gz OPFAQZFMEXFKMV-GOSISDBHSA-N 0 3 309.413 3.386 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1cn2ccccc2n1 ZINC000180358016 323227959 /nfs/dbraw/zinc/22/79/59/323227959.db2.gz KYJUPATXROJYRX-UHFFFAOYSA-N 0 3 322.437 3.229 20 30 DGEDHN CC(C)(O)CN(Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000181153591 323247538 /nfs/dbraw/zinc/24/75/38/323247538.db2.gz HNZJFBAZCPHYKV-UHFFFAOYSA-N 0 3 300.427 3.393 20 30 DGEDHN COc1ccc([C@H](CCO)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181911939 323274591 /nfs/dbraw/zinc/27/45/91/323274591.db2.gz DJPJVUZLIYHGKG-LIRRHRJNSA-N 0 3 310.397 3.341 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182915942 323316341 /nfs/dbraw/zinc/31/63/41/323316341.db2.gz YETYOBXAYHSTRY-HNNXBMFYSA-N 0 3 307.397 3.464 20 30 DGEDHN Cc1cc(CN2CCC(Nc3ccccn3)CC2)ccc1C#N ZINC000583179545 324321800 /nfs/dbraw/zinc/32/18/00/324321800.db2.gz BVPAIMLKHFNZND-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN COC(=O)c1cccc(CN[C@H](C)C2CCCCC2)c1C#N ZINC000584020720 331581013 /nfs/dbraw/zinc/58/10/13/331581013.db2.gz PDJQRLBOZLKAOU-CYBMUJFWSA-N 0 3 300.402 3.403 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2c(F)cccc2F)CC1 ZINC000255053507 331643276 /nfs/dbraw/zinc/64/32/76/331643276.db2.gz IJQIQRJEBXTISD-SREVYHEPSA-N 0 3 320.383 3.135 20 30 DGEDHN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000580068931 332927069 /nfs/dbraw/zinc/92/70/69/332927069.db2.gz AXWZUUHHZQOOOS-RDJZCZTQSA-N 0 3 305.466 3.182 20 30 DGEDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000558461649 331909661 /nfs/dbraw/zinc/90/96/61/331909661.db2.gz ISVUOOUECAFYFT-BBRMVZONSA-N 0 3 317.408 3.239 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@H](C)C(=O)OC)cc1Cl ZINC000091985127 332098968 /nfs/dbraw/zinc/09/89/68/332098968.db2.gz JRGPKEQODFMFHB-LBPRGKRZSA-N 0 3 311.809 3.146 20 30 DGEDHN N#Cc1cccc(OCCCN2CC[C@@H](c3ccncc3)C2)c1 ZINC000584270352 332178241 /nfs/dbraw/zinc/17/82/41/332178241.db2.gz PTRNSIFGWNFCAZ-GOSISDBHSA-N 0 3 307.397 3.212 20 30 DGEDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCC1 ZINC000526056934 333107886 /nfs/dbraw/zinc/10/78/86/333107886.db2.gz QYFHEIZKEDAZDW-YOEHRIQHSA-N 0 3 311.429 3.068 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000497244386 333226723 /nfs/dbraw/zinc/22/67/23/333226723.db2.gz JBUFNBVEIFBTMT-ZFWWWQNUSA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@H](O)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000364062614 333230527 /nfs/dbraw/zinc/23/05/27/333230527.db2.gz UISQMJYESVRSPQ-VMEOHVCESA-N 0 3 306.409 3.453 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000188220924 333361311 /nfs/dbraw/zinc/36/13/11/333361311.db2.gz NKHVQRUGAAZAKG-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CC[C@@H](C(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000188254141 333362233 /nfs/dbraw/zinc/36/22/33/333362233.db2.gz YZQJLACAEDWJBT-GOSISDBHSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCC[C@H](C(=O)NCCN1CCCCC1)c1ccccc1 ZINC000188260935 333362438 /nfs/dbraw/zinc/36/24/38/333362438.db2.gz WUNAGYRXPFLLMA-SFHVURJKSA-N 0 3 300.446 3.339 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000188511069 333370174 /nfs/dbraw/zinc/37/01/74/333370174.db2.gz AXOUEIYLHRIFEV-VDZJLULYSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000296414524 335144353 /nfs/dbraw/zinc/14/43/53/335144353.db2.gz WXVQROBTCAACML-UHFFFAOYSA-N 0 3 300.446 3.452 20 30 DGEDHN C=C[C@H](CC(=O)NCCCNCc1cccnc1)c1ccccc1 ZINC000564572799 333506894 /nfs/dbraw/zinc/50/68/94/333506894.db2.gz VGJMUAVDVSRXGD-GOSISDBHSA-N 0 3 323.440 3.037 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000272045645 334030134 /nfs/dbraw/zinc/03/01/34/334030134.db2.gz PHSYBPQPWJCJQV-MOPGFXCFSA-N 0 3 313.445 3.090 20 30 DGEDHN CCN(CCOCCC#N)Cc1cccc(Br)c1 ZINC000293553800 334198968 /nfs/dbraw/zinc/19/89/68/334198968.db2.gz RJPYVEMWNYDQPM-UHFFFAOYSA-N 0 3 311.223 3.201 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000303260193 334309766 /nfs/dbraw/zinc/30/97/66/334309766.db2.gz PCGNLUYSCXGDED-LJQANCHMSA-N 0 3 316.420 3.457 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@@H]3CCOC3)c2)n1 ZINC000534923871 334348946 /nfs/dbraw/zinc/34/89/46/334348946.db2.gz YLMVPRDZYFCTSF-CABCVRRESA-N 0 3 312.394 3.446 20 30 DGEDHN C=CCCCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000520726827 336050544 /nfs/dbraw/zinc/05/05/44/336050544.db2.gz ZNOGJOHEPUYQCA-UHFFFAOYSA-N 0 3 304.409 3.330 20 30 DGEDHN CC(C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000525893431 336376253 /nfs/dbraw/zinc/37/62/53/336376253.db2.gz DJIQXJBVYWAVRR-INIZCTEOSA-N 0 3 319.836 3.189 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(F)cc1Br ZINC000320980816 337088437 /nfs/dbraw/zinc/08/84/37/337088437.db2.gz HPYOIHYHXHTSEZ-LBPRGKRZSA-N 0 3 302.187 3.005 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C(C)(C)C)c1C ZINC000583140560 337244795 /nfs/dbraw/zinc/24/47/95/337244795.db2.gz CGFOPHDZCSAFGF-UHFFFAOYSA-N 0 3 301.434 3.280 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC(C)(C)C(C)C)C(C)C ZINC000564102830 337454929 /nfs/dbraw/zinc/45/49/29/337454929.db2.gz LMLGCLVTKXMVFY-INIZCTEOSA-N 0 3 309.498 3.419 20 30 DGEDHN C#CCOc1ccccc1CN[C@H](C)C[C@@H](O)c1cccs1 ZINC000270658497 337642173 /nfs/dbraw/zinc/64/21/73/337642173.db2.gz NRIUTHNXMKOBID-GDBMZVCRSA-N 0 3 315.438 3.362 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2C)C(C)(C)C)C1=O ZINC000499611297 340040980 /nfs/dbraw/zinc/04/09/80/340040980.db2.gz NTKRQOOGRPXGEG-DLBZAZTESA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](C)C2(c3ccccc3)CCCC2)C1=O ZINC000499632227 340041797 /nfs/dbraw/zinc/04/17/97/340041797.db2.gz DOJUCRHQVGHGCJ-SJLPKXTDSA-N 0 3 312.457 3.263 20 30 DGEDHN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN1C ZINC000509435810 340269405 /nfs/dbraw/zinc/26/94/05/340269405.db2.gz IYPQXFVLWMWZHF-KBPBESRZSA-N 0 3 310.363 3.081 20 30 DGEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN1C ZINC000509435811 340269421 /nfs/dbraw/zinc/26/94/21/340269421.db2.gz IYPQXFVLWMWZHF-KGLIPLIRSA-N 0 3 310.363 3.081 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000509586588 340274271 /nfs/dbraw/zinc/27/42/71/340274271.db2.gz PQWZCGRUDASCOY-ZBFHGGJFSA-N 0 3 319.449 3.316 20 30 DGEDHN C=CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1CCCCC1 ZINC000303504542 340328741 /nfs/dbraw/zinc/32/87/41/340328741.db2.gz ZIBPBKPGSWBOIU-MRXNPFEDSA-N 0 3 305.466 3.063 20 30 DGEDHN CC(C)(C)OC(=O)NC1CCN(CCCC(C)(C)C#N)CC1 ZINC000174821696 340396817 /nfs/dbraw/zinc/39/68/17/340396817.db2.gz WIMGFWRNAPIDKD-UHFFFAOYSA-N 0 3 309.454 3.305 20 30 DGEDHN N#CCC[C@H](NC1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000540151227 340917590 /nfs/dbraw/zinc/91/75/90/340917590.db2.gz PEZALWMTSCTWGT-SFHVURJKSA-N 0 3 321.428 3.080 20 30 DGEDHN C=C[C@@H](CC(=O)N(CCN(C)C)CC(C)C)c1ccccc1 ZINC000130239079 341008063 /nfs/dbraw/zinc/00/80/63/341008063.db2.gz QLTURHQPOYBQFA-KRWDZBQOSA-N 0 3 302.462 3.393 20 30 DGEDHN C=C(C)CN(CC)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000543139671 341033779 /nfs/dbraw/zinc/03/37/79/341033779.db2.gz VVFHCVAWUYQYCT-ZDUSSCGKSA-N 0 3 317.351 3.343 20 30 DGEDHN C=CCC[C@@H](NC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000131045658 341056995 /nfs/dbraw/zinc/05/69/95/341056995.db2.gz YGZCUXAHOHVLOZ-GOSISDBHSA-N 0 3 315.461 3.431 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COCc1cccs1 ZINC000131076380 341057732 /nfs/dbraw/zinc/05/77/32/341057732.db2.gz LNDXFAFVXQDZIY-QGZVFWFLSA-N 0 3 317.454 3.314 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000133512251 341177077 /nfs/dbraw/zinc/17/70/77/341177077.db2.gz OKIDHKHVHHLKQB-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN CN(C)CCN(C)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000078652446 341245657 /nfs/dbraw/zinc/24/56/57/341245657.db2.gz ZUCBDPYTNBYGEG-UHFFFAOYSA-N 0 3 321.424 3.112 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000246328477 341342559 /nfs/dbraw/zinc/34/25/59/341342559.db2.gz UBIKPKJZEJVJDT-FUHWJXTLSA-N 0 3 315.461 3.335 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CCC2(C)C)c1C ZINC000565488719 341528935 /nfs/dbraw/zinc/52/89/35/341528935.db2.gz DXNKPGYRIVTBEZ-QGZVFWFLSA-N 0 3 313.445 3.328 20 30 DGEDHN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000566680443 341565115 /nfs/dbraw/zinc/56/51/15/341565115.db2.gz GVTNKHRMWKOPRA-MSOLQXFVSA-N 0 3 313.445 3.495 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1cscc1C ZINC000576031310 341821344 /nfs/dbraw/zinc/82/13/44/341821344.db2.gz MUPIWINNHTWECU-KRWDZBQOSA-N 0 3 317.454 3.315 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC000183217259 500577267 /nfs/dbraw/zinc/57/72/67/500577267.db2.gz VYGOERWRXKQGJY-KURKYZTESA-N 0 3 322.493 3.006 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NCCN1CCCC(C)(C)C1 ZINC000444925115 533732991 /nfs/dbraw/zinc/73/29/91/533732991.db2.gz UAELEYPXZMRBDN-UHFFFAOYSA-N 0 3 314.433 3.110 20 30 DGEDHN COc1cc(CN2CC[C@@H](COc3ccccc3)C2)ccc1C#N ZINC000442841242 533819377 /nfs/dbraw/zinc/81/93/77/533819377.db2.gz NRBHJCDBSFQEFR-QGZVFWFLSA-N 0 3 322.408 3.468 20 30 DGEDHN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000355861586 533863372 /nfs/dbraw/zinc/86/33/72/533863372.db2.gz JSGDSQNTNWNGKQ-STQMWFEESA-N 0 3 320.820 3.289 20 30 DGEDHN C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1O ZINC000444668491 533924819 /nfs/dbraw/zinc/92/48/19/533924819.db2.gz DUMXFBVUBWVICL-FXAWDEMLSA-N 0 3 320.436 3.199 20 30 DGEDHN C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCCO1 ZINC000179394670 533958107 /nfs/dbraw/zinc/95/81/07/533958107.db2.gz PWGCARZSSSLUMV-INIZCTEOSA-N 0 3 324.428 3.075 20 30 DGEDHN Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000348026569 534035105 /nfs/dbraw/zinc/03/51/05/534035105.db2.gz DOKRKWWWBXEFSA-QGZVFWFLSA-N 0 3 321.355 3.004 20 30 DGEDHN C[C@H](O)C(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331348048 534044945 /nfs/dbraw/zinc/04/49/45/534044945.db2.gz MSEWGCDVXAYDDS-AWEZNQCLSA-N 0 3 304.434 3.137 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncc(C#N)cc2F)C1 ZINC000413071957 534111612 /nfs/dbraw/zinc/11/16/12/534111612.db2.gz MJNDJBSDVRUESS-BBRMVZONSA-N 0 3 310.376 3.340 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001495344041 1185035861 /nfs/dbraw/zinc/03/58/61/1185035861.db2.gz DIQWZMXFXKRCQJ-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN Cc1nc(N(CCN(C)C)Cc2ccco2)c(Cl)cc1C#N ZINC000292673539 534439073 /nfs/dbraw/zinc/43/90/73/534439073.db2.gz QQLKNSLQDHBWAQ-UHFFFAOYSA-N 0 3 318.808 3.076 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000489054600 534471290 /nfs/dbraw/zinc/47/12/90/534471290.db2.gz QCLWQTUTUIXFMZ-FUHWJXTLSA-N 0 3 323.440 3.067 20 30 DGEDHN Cc1noc([C@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000332075234 534482368 /nfs/dbraw/zinc/48/23/68/534482368.db2.gz FKTIMTNYDAIYJD-HNNXBMFYSA-N 0 3 310.401 3.169 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000458766166 534511531 /nfs/dbraw/zinc/51/15/31/534511531.db2.gz LEGZUHODPHMWBU-ZIAGYGMSSA-N 0 3 307.438 3.220 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000458766164 534511600 /nfs/dbraw/zinc/51/16/00/534511600.db2.gz LEGZUHODPHMWBU-UONOGXRCSA-N 0 3 307.438 3.220 20 30 DGEDHN Cc1oc(NC(=O)[C@@H](C)N(C)CC2CCCC2)c(C#N)c1C ZINC000299391609 534548469 /nfs/dbraw/zinc/54/84/69/534548469.db2.gz FZPNIDJSOZEHFL-GFCCVEGCSA-N 0 3 303.406 3.217 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC(C)C)cc1 ZINC000451682000 534573974 /nfs/dbraw/zinc/57/39/74/534573974.db2.gz NKSYQJWKBVXZOP-SJORKVTESA-N 0 3 303.402 3.075 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Br)cs1 ZINC000449547238 534574027 /nfs/dbraw/zinc/57/40/27/534574027.db2.gz HFZFJQHFUVQKQT-NEPJUHHUSA-N 0 3 302.237 3.334 20 30 DGEDHN C=CCC1(CNC(=O)N(C)CC2CCN(C)CC2)CCCC1 ZINC000455471274 534598364 /nfs/dbraw/zinc/59/83/64/534598364.db2.gz DBIDVDYZUCDMDG-UHFFFAOYSA-N 0 3 307.482 3.106 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000451602601 534608833 /nfs/dbraw/zinc/60/88/33/534608833.db2.gz XIUFYKJRGZBIES-MOPGFXCFSA-N 0 3 322.408 3.372 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449517513 534609103 /nfs/dbraw/zinc/60/91/03/534609103.db2.gz GFSNDAXEJMGORP-ZBFHGGJFSA-N 0 3 314.341 3.288 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000451608443 534610799 /nfs/dbraw/zinc/61/07/99/534610799.db2.gz SEODFDJIZKLHQS-YUELXQCFSA-N 0 3 322.836 3.217 20 30 DGEDHN C=CCCCC[C@@H](C)NCc1ccccc1S(=O)(=O)N(C)C ZINC000449078763 534695826 /nfs/dbraw/zinc/69/58/26/534695826.db2.gz YLJPFTOCWYNIAR-OAHLLOKOSA-N 0 3 324.490 3.161 20 30 DGEDHN N#CCc1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000352923182 534716894 /nfs/dbraw/zinc/71/68/94/534716894.db2.gz VJXAANCJOIODJN-HNNXBMFYSA-N 0 3 312.335 3.032 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)CCC#N ZINC000428265964 534863884 /nfs/dbraw/zinc/86/38/84/534863884.db2.gz BICOEXSFPOJHHO-UWVGGRQHSA-N 0 3 302.344 3.405 20 30 DGEDHN C=CCOCCCN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451908429 534875895 /nfs/dbraw/zinc/87/58/95/534875895.db2.gz KHXAICOLQUKMQO-OAHLLOKOSA-N 0 3 318.244 3.383 20 30 DGEDHN CC#CCCCC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000185436299 526289693 /nfs/dbraw/zinc/28/96/93/526289693.db2.gz KVVSVNCANRXWQA-UHFFFAOYSA-N 0 3 300.446 3.290 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000185793348 526300784 /nfs/dbraw/zinc/30/07/84/526300784.db2.gz WQWMNUDDAVMGJQ-IEBWSBKVSA-N 0 3 312.457 3.349 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000185793370 526301862 /nfs/dbraw/zinc/30/18/62/526301862.db2.gz WQWMNUDDAVMGJQ-MJGOQNOKSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000355417414 526336412 /nfs/dbraw/zinc/33/64/12/526336412.db2.gz YKQUSHYQCQCXMR-HZPDHXFCSA-N 0 3 316.445 3.083 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000338933516 526346482 /nfs/dbraw/zinc/34/64/82/526346482.db2.gz LAPWRMBJPHXFKJ-FQEVSTJZSA-N 0 3 324.399 3.289 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCCC#N)CC1 ZINC000359990925 526404666 /nfs/dbraw/zinc/40/46/66/526404666.db2.gz CSCFDGICVHEPER-INIZCTEOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(-c3cccs3)o2)CC1 ZINC000341326520 526448427 /nfs/dbraw/zinc/44/84/27/526448427.db2.gz WUPCNXPIJBHJAB-UHFFFAOYSA-N 0 3 316.426 3.388 20 30 DGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343584796 526549665 /nfs/dbraw/zinc/54/96/65/526549665.db2.gz BYEUTDUIPWXKIH-UPTPFMHGSA-N 0 3 305.466 3.204 20 30 DGEDHN C=C(C)CN(CCCSCC#N)Cc1cnn(C(C)C)c1 ZINC000352959552 526550911 /nfs/dbraw/zinc/55/09/11/526550911.db2.gz YGPUIKQAGGEIDH-UHFFFAOYSA-N 0 3 306.479 3.489 20 30 DGEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1)c1sccc1C ZINC000180036444 526571346 /nfs/dbraw/zinc/57/13/46/526571346.db2.gz VRBGUTJGEZHAOF-INIZCTEOSA-N 0 3 314.454 3.232 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccco2)CC1 ZINC000106275737 526583970 /nfs/dbraw/zinc/58/39/70/526583970.db2.gz SANQLPNUKBJLLE-CQSZACIVSA-N 0 3 305.422 3.023 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccn2C2CCCC2)CC1 ZINC000181621969 526601038 /nfs/dbraw/zinc/60/10/38/526601038.db2.gz XMCCAXOWBWKLEK-UHFFFAOYSA-N 0 3 315.461 3.374 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCCCC3)O2)cc1 ZINC000181096040 526623319 /nfs/dbraw/zinc/62/33/19/526623319.db2.gz KYDBMAWDMHIZPL-QGZVFWFLSA-N 0 3 300.402 3.114 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434905101 526634456 /nfs/dbraw/zinc/63/44/56/526634456.db2.gz IDOPYJIXORAOSE-QFBILLFUSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000434905099 526634593 /nfs/dbraw/zinc/63/45/93/526634593.db2.gz IDOPYJIXORAOSE-LPHOPBHVSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000439619454 526636034 /nfs/dbraw/zinc/63/60/34/526636034.db2.gz PDTIUHINAMVTLU-NSHDSACASA-N 0 3 312.816 3.037 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](CO)C/C=C\C)ccc1OC ZINC000349829370 526662404 /nfs/dbraw/zinc/66/24/04/526662404.db2.gz OMPZJFORGVEXFZ-KJPDOMRESA-N 0 3 305.418 3.067 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185661080 526665259 /nfs/dbraw/zinc/66/52/59/526665259.db2.gz UZJXFDGHSYUORE-ZBFHGGJFSA-N 0 3 318.486 3.297 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000340378042 526667401 /nfs/dbraw/zinc/66/74/01/526667401.db2.gz WHVPYQMRAURANQ-HNNXBMFYSA-N 0 3 317.433 3.199 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000172119638 526745364 /nfs/dbraw/zinc/74/53/64/526745364.db2.gz BWKLXGJBRJYRKQ-UHFFFAOYSA-N 0 3 320.392 3.281 20 30 DGEDHN C=CCOCCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000348029729 526750700 /nfs/dbraw/zinc/75/07/00/526750700.db2.gz HCKVOLUONUGEKT-UHFFFAOYSA-N 0 3 315.413 3.140 20 30 DGEDHN C=CCOCCCN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000348165934 526752749 /nfs/dbraw/zinc/75/27/49/526752749.db2.gz GBESUVPSCIVOKC-GFCCVEGCSA-N 0 3 317.355 3.201 20 30 DGEDHN C=CCOCCCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000347968925 526753960 /nfs/dbraw/zinc/75/39/60/526753960.db2.gz RRNDXYBJNWHTJS-QGZVFWFLSA-N 0 3 305.418 3.433 20 30 DGEDHN C=CCOCCCN1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000348054412 526755412 /nfs/dbraw/zinc/75/54/12/526755412.db2.gz YOHOQWMQWMYTOP-IBGZPJMESA-N 0 3 302.462 3.176 20 30 DGEDHN C=C(C)[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000360619076 526756914 /nfs/dbraw/zinc/75/69/14/526756914.db2.gz KRBNTHNSCGKTMY-RVKKMQEKSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2ccccn2)n1 ZINC000280616931 526801825 /nfs/dbraw/zinc/80/18/25/526801825.db2.gz KOBJNMQWSHQHEB-BBRMVZONSA-N 0 3 315.442 3.276 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000280568428 526801833 /nfs/dbraw/zinc/80/18/33/526801833.db2.gz GMDPZBNVYTUWOV-NHYWBVRUSA-N 0 3 310.781 3.319 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000435742762 526834056 /nfs/dbraw/zinc/83/40/56/526834056.db2.gz OMJZULZBDOVUCQ-CZUORRHYSA-N 0 3 307.821 3.346 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000344662682 526847303 /nfs/dbraw/zinc/84/73/03/526847303.db2.gz KDYXBNRDORZMDR-KRWDZBQOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(CC)CN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000358500270 526855029 /nfs/dbraw/zinc/85/50/29/526855029.db2.gz PUYDZXFGEKZQQK-UHFFFAOYSA-N 0 3 305.418 3.079 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)OCC)C2)cc1 ZINC000352738959 526866971 /nfs/dbraw/zinc/86/69/71/526866971.db2.gz WDWKUBYPYQLZGM-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(CNCc1cn(C)nc1-c1ccncc1)c1ccccc1 ZINC000340433352 526881333 /nfs/dbraw/zinc/88/13/33/526881333.db2.gz ADQMZUDRNKJWHZ-UHFFFAOYSA-N 0 3 304.397 3.285 20 30 DGEDHN C=C(CN[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000346776923 526882904 /nfs/dbraw/zinc/88/29/04/526882904.db2.gz ITEUMHOIEUDZBX-OAHLLOKOSA-N 0 3 305.385 3.026 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(N(C)CC)nc2)cc1 ZINC000352923788 526886930 /nfs/dbraw/zinc/88/69/30/526886930.db2.gz XMHRCMVHSVVFJU-UHFFFAOYSA-N 0 3 311.429 3.392 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H]1CCCn2cc(C)nc21 ZINC000344535800 526948618 /nfs/dbraw/zinc/94/86/18/526948618.db2.gz JCRKIDFCWYKJDL-KRWDZBQOSA-N 0 3 311.429 3.424 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000348181595 526983066 /nfs/dbraw/zinc/98/30/66/526983066.db2.gz JHUIHEAJGSSAPG-MRXNPFEDSA-N 0 3 300.446 3.240 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CSC[C@H]1C ZINC000352814188 527012401 /nfs/dbraw/zinc/01/24/01/527012401.db2.gz GPHBKAAXTWMCKY-OCCSQVGLSA-N 0 3 322.499 3.244 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000343938578 527022198 /nfs/dbraw/zinc/02/21/98/527022198.db2.gz FPRQNYNZXKWYCA-UHFFFAOYSA-N 0 3 300.446 3.345 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000359689059 527044843 /nfs/dbraw/zinc/04/48/43/527044843.db2.gz SKWNQNXFJAMTLR-DOTOQJQBSA-N 0 3 303.450 3.161 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000355840007 527046389 /nfs/dbraw/zinc/04/63/89/527046389.db2.gz DTHNTDWYRXPRMQ-CVEARBPZSA-N 0 3 307.413 3.082 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)c(OCC)c(OC)c1 ZINC000341324865 527077393 /nfs/dbraw/zinc/07/73/93/527077393.db2.gz TUOLZNGFDRSMOF-GFCCVEGCSA-N 0 3 313.825 3.022 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000350830236 527154400 /nfs/dbraw/zinc/15/44/00/527154400.db2.gz OMDFTGKLVIMAMU-ROUUACIJSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CC[C@H](CC)NCc1ncc(I)s1 ZINC000285825350 527163924 /nfs/dbraw/zinc/16/39/24/527163924.db2.gz GXXKNQDDDLWYEL-QMMMGPOBSA-N 0 3 322.215 3.192 20 30 DGEDHN C=CC[C@H](CO)CNCc1cn(-c2ccccc2)nc1C(C)C ZINC000341319149 527187241 /nfs/dbraw/zinc/18/72/41/527187241.db2.gz YRNOAUBRCVDKSY-INIZCTEOSA-N 0 3 313.445 3.270 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346629375 527190367 /nfs/dbraw/zinc/19/03/67/527190367.db2.gz UJKWPFKWRQCCJQ-KBXCAEBGSA-N 0 3 300.377 3.084 20 30 DGEDHN C=CCCCN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000431150716 527198524 /nfs/dbraw/zinc/19/85/24/527198524.db2.gz PJBHFISXBPZIRB-UHFFFAOYSA-N 0 3 305.418 3.079 20 30 DGEDHN C=CC[C@H]1N(CC(=O)NCc2cccs2)CCCC1(C)C ZINC000444792867 527226216 /nfs/dbraw/zinc/22/62/16/527226216.db2.gz QIEBJILPHPACAO-OAHLLOKOSA-N 0 3 306.475 3.431 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000302160028 527230841 /nfs/dbraw/zinc/23/08/41/527230841.db2.gz XVFADYRZJHFNIA-QFBILLFUSA-N 0 3 323.440 3.214 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC(=O)C2CC2)c(OC)c1)C(C)(C)C ZINC000290217001 527291330 /nfs/dbraw/zinc/29/13/30/527291330.db2.gz RCRLYTVOEZTCIO-QGZVFWFLSA-N 0 3 315.413 3.148 20 30 DGEDHN C=CCCN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000352442326 527326141 /nfs/dbraw/zinc/32/61/41/527326141.db2.gz OIJXXNNRHQNEFG-UHFFFAOYSA-N 0 3 324.222 3.317 20 30 DGEDHN C=CCn1c(SCCN(CC)CC)nnc1-c1ccoc1C ZINC000181306268 527339884 /nfs/dbraw/zinc/33/98/84/527339884.db2.gz JVLUZZOWGRIUDG-UHFFFAOYSA-N 0 3 320.462 3.466 20 30 DGEDHN C=CCn1cccc1C(=O)N(CCN1CCCCCC1)C(C)C ZINC000345906441 527378612 /nfs/dbraw/zinc/37/86/12/527378612.db2.gz MDSHVZLAUBWYSX-UHFFFAOYSA-N 0 3 317.477 3.401 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000354118327 527395853 /nfs/dbraw/zinc/39/58/53/527395853.db2.gz VVFAVFKDTFQKIX-HZPDHXFCSA-N 0 3 318.461 3.213 20 30 DGEDHN C=CCC[C@@H](NC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000435761129 527439476 /nfs/dbraw/zinc/43/94/76/527439476.db2.gz MAKDGZJSSLQADG-SJLPKXTDSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000435762679 527441253 /nfs/dbraw/zinc/44/12/53/527441253.db2.gz OWZWLFQQGZJTQJ-QZTJIDSGSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCC[C@H](CC)NCc1ccncc1OC[C@H]1CCOC1 ZINC000287260229 527467165 /nfs/dbraw/zinc/46/71/65/527467165.db2.gz ILKRVBPCGLPLCA-RDJZCZTQSA-N 0 3 304.434 3.331 20 30 DGEDHN C=CCC[C@H](CCC)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337374036 527468095 /nfs/dbraw/zinc/46/80/95/527468095.db2.gz FOTPYRMXHQTGPD-AWEZNQCLSA-N 0 3 313.438 3.454 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000342121354 527604999 /nfs/dbraw/zinc/60/49/99/527604999.db2.gz DRCKVWZPQVTRIX-VQTJNVASSA-N 0 3 314.473 3.318 20 30 DGEDHN CC(C)(C)CCN1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000337125695 527663980 /nfs/dbraw/zinc/66/39/80/527663980.db2.gz FFNCWQXMSYYPPM-UHFFFAOYSA-N 0 3 321.509 3.141 20 30 DGEDHN CCC1(CNC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000343735996 527733024 /nfs/dbraw/zinc/73/30/24/527733024.db2.gz HHILMRAVPZCAQU-QGZVFWFLSA-N 0 3 314.429 3.082 20 30 DGEDHN CCC1CCC(N(CC(=O)N(CC)CCC#N)C2CC2)CC1 ZINC000339221503 527842852 /nfs/dbraw/zinc/84/28/52/527842852.db2.gz GEEBXAIQSCAXKG-UHFFFAOYSA-N 0 3 305.466 3.182 20 30 DGEDHN CCCN(CC(=O)N(CC)CCC#N)[C@@H]1CCc2ccccc21 ZINC000346598863 527886270 /nfs/dbraw/zinc/88/62/70/527886270.db2.gz YXVJNALJCQEAMV-GOSISDBHSA-N 0 3 313.445 3.148 20 30 DGEDHN CCN1C[C@@H](C)N(Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000353812298 527931485 /nfs/dbraw/zinc/93/14/85/527931485.db2.gz XRZCTJARVPIUGX-DLBZAZTESA-N 0 3 315.461 3.284 20 30 DGEDHN CC(C)[C@](C)(CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331313662 527942458 /nfs/dbraw/zinc/94/24/58/527942458.db2.gz CKHZOYYGDWGMQC-IBGZPJMESA-N 0 3 318.461 3.384 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(OC)c2)C1(C)C ZINC000442883658 528072748 /nfs/dbraw/zinc/07/27/48/528072748.db2.gz HZNCPHMMUWXCJX-SJORKVTESA-N 0 3 302.418 3.202 20 30 DGEDHN CC(C)Oc1ccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185832461 528210935 /nfs/dbraw/zinc/21/09/35/528210935.db2.gz IGFMXYLHJOFJRL-QILLFSRXSA-N 0 3 302.418 3.179 20 30 DGEDHN CCC[C@H]1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000302048424 528403654 /nfs/dbraw/zinc/40/36/54/528403654.db2.gz ZEWRGRZAELMUCZ-IBGZPJMESA-N 0 3 320.440 3.444 20 30 DGEDHN CCN(CCCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000174856747 528430964 /nfs/dbraw/zinc/43/09/64/528430964.db2.gz YMUPWVCABCWQMI-QGZVFWFLSA-N 0 3 313.445 3.444 20 30 DGEDHN CCOC1(C)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000358703287 528445199 /nfs/dbraw/zinc/44/51/99/528445199.db2.gz ZLPCRLGQFFRDII-QGZVFWFLSA-N 0 3 314.429 3.177 20 30 DGEDHN CCCc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000330898650 528549874 /nfs/dbraw/zinc/54/98/74/528549874.db2.gz IILBTFORZBPJGC-SMDDNHRTSA-N 0 3 319.449 3.266 20 30 DGEDHN CC(C)n1cc(C2=CCCN([C@H]3CCC[C@H](C#N)C3)CC2)nn1 ZINC000333627605 528560576 /nfs/dbraw/zinc/56/05/76/528560576.db2.gz ZMPIMGDJLVFKIB-RDJZCZTQSA-N 0 3 313.449 3.421 20 30 DGEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000441657500 528598469 /nfs/dbraw/zinc/59/84/69/528598469.db2.gz JEQFTBABUZEKAM-KRWDZBQOSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)Cn1ccc2cc(NC(=O)[C@@H](N)CCCC#N)ccc21 ZINC000424162519 528725454 /nfs/dbraw/zinc/72/54/54/528725454.db2.gz XAGXQAIKOGTBIZ-INIZCTEOSA-N 0 3 312.417 3.257 20 30 DGEDHN CC(C)N(CCCC(C)(C)C#N)CC(=O)N1CCCCCC1 ZINC000353220019 528879843 /nfs/dbraw/zinc/87/98/43/528879843.db2.gz OSHFVARZJMYTDL-UHFFFAOYSA-N 0 3 307.482 3.429 20 30 DGEDHN CC(C)N(CCN(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160487156 528896896 /nfs/dbraw/zinc/89/68/96/528896896.db2.gz XNQBRJCUCXLXPX-KRWDZBQOSA-N 0 3 316.449 3.013 20 30 DGEDHN CCOC(=O)N1CCC(N[C@H](CCC#N)c2ccccc2)CC1 ZINC000181919376 528958716 /nfs/dbraw/zinc/95/87/16/528958716.db2.gz ZUWRQXXHJGYGHH-QGZVFWFLSA-N 0 3 315.417 3.242 20 30 DGEDHN CCC[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000181680427 529007338 /nfs/dbraw/zinc/00/73/38/529007338.db2.gz VVBJFLNEVPRUDO-MRXNPFEDSA-N 0 3 323.387 3.158 20 30 DGEDHN CC(C)N1CCN(c2cccc(Nc3ccc(C#N)cn3)c2)CC1 ZINC000301957164 529045599 /nfs/dbraw/zinc/04/55/99/529045599.db2.gz LEXAQFZRDIVPNU-UHFFFAOYSA-N 0 3 321.428 3.227 20 30 DGEDHN CC(C)N1CCN(c2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442874941 529046221 /nfs/dbraw/zinc/04/62/21/529046221.db2.gz RTDNBEOFSNOHCT-AEFFLSMTSA-N 0 3 312.461 3.321 20 30 DGEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185812968 529180122 /nfs/dbraw/zinc/18/01/22/529180122.db2.gz DHAPDKHDZQPEOS-RLFYNMQTSA-N 0 3 313.445 3.387 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C(C)(C)C)nn1C ZINC000330757332 529199918 /nfs/dbraw/zinc/19/99/18/529199918.db2.gz KXDSNTLIUMGHLN-AWEZNQCLSA-N 0 3 320.481 3.287 20 30 DGEDHN CC[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000127111421 529217802 /nfs/dbraw/zinc/21/78/02/529217802.db2.gz VMCTWEZPSPCWDT-IRXDYDNUSA-N 0 3 313.445 3.444 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353105713 529348521 /nfs/dbraw/zinc/34/85/21/529348521.db2.gz BUZBCSYYAREHRE-HNAYVOBHSA-N 0 3 313.445 3.268 20 30 DGEDHN CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCC(C#N)CC1 ZINC000496094189 535190104 /nfs/dbraw/zinc/19/01/04/535190104.db2.gz QCXDWGFOOHNAJC-HNNXBMFYSA-N 0 3 309.454 3.019 20 30 DGEDHN CC[C@H](O)[C@H](CC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000449652908 536009232 /nfs/dbraw/zinc/00/92/32/536009232.db2.gz YTPGKRGPMTZXDZ-KBPBESRZSA-N 0 3 300.324 3.216 20 30 DGEDHN CO[C@H]([C@@H](C)NCc1cccc(OCCCC#N)c1)C1CC1 ZINC000449635080 536656458 /nfs/dbraw/zinc/65/64/58/536656458.db2.gz XFGHVIVJTWQQFK-RDTXWAMCSA-N 0 3 302.418 3.272 20 30 DGEDHN CO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2Br)C1(C)C ZINC000451514189 536796814 /nfs/dbraw/zinc/79/68/14/536796814.db2.gz ZLNZDSYVXJWBHY-ZIAGYGMSSA-N 0 3 323.234 3.224 20 30 DGEDHN C=CCNC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000181040640 546150719 /nfs/dbraw/zinc/15/07/19/546150719.db2.gz HDIMGNAVSBMNTK-KRWDZBQOSA-N 0 3 306.837 3.463 20 30 DGEDHN O=C(CNC(=O)C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000329160567 546483242 /nfs/dbraw/zinc/48/32/42/546483242.db2.gz YGZUXWIMKMKKHW-UHFFFAOYSA-N 0 3 307.438 3.107 20 30 DGEDHN COc1nc(C)cc(C)c1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000329160431 546483664 /nfs/dbraw/zinc/48/36/64/546483664.db2.gz FFCLMSQKHURQEB-MRXNPFEDSA-N 0 3 317.433 3.038 20 30 DGEDHN Cc1noc(C)c1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000329330192 546484849 /nfs/dbraw/zinc/48/48/49/546484849.db2.gz LOHZFURFSNCGIQ-UHFFFAOYSA-N 0 3 320.437 3.033 20 30 DGEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[C@@H]1C#N)CC3 ZINC000329613283 546488390 /nfs/dbraw/zinc/48/83/90/546488390.db2.gz DWDMCIPVYSPILV-XNJGSVPQSA-N 0 3 309.413 3.316 20 30 DGEDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330233337 546496352 /nfs/dbraw/zinc/49/63/52/546496352.db2.gz XVAOJKOKXABYBF-NWJJSSMHSA-N 0 3 320.477 3.052 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC000352269736 546650621 /nfs/dbraw/zinc/65/06/21/546650621.db2.gz XHAHTCWEAVQQQH-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCC1(NC(=O)Nc2cnc3c(c2)CNCC3)CCCCC1 ZINC000667800197 547305256 /nfs/dbraw/zinc/30/52/56/547305256.db2.gz ABBCQHACQICWLC-UHFFFAOYSA-N 0 3 314.433 3.128 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667935585 547338441 /nfs/dbraw/zinc/33/84/41/547338441.db2.gz RVCRUSNJZWPYIF-JKSUJKDBSA-N 0 3 309.331 3.214 20 30 DGEDHN C=CC[C@H]1CCCN(C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000668492791 547468369 /nfs/dbraw/zinc/46/83/69/547468369.db2.gz GGUVKAGSEBOXRE-CVEARBPZSA-N 0 3 321.486 3.482 20 30 DGEDHN C=CCC1(NCc2ncccc2C(F)(F)F)CCOCC1 ZINC000668552562 547477817 /nfs/dbraw/zinc/47/78/17/547477817.db2.gz ORZWKTJOKNHYLD-UHFFFAOYSA-N 0 3 300.324 3.315 20 30 DGEDHN C=CCOc1ccc(CN(C)CC2=CCCOC2)cc1OC ZINC000668567875 547481758 /nfs/dbraw/zinc/48/17/58/547481758.db2.gz MRWQZSUXOBHZBU-UHFFFAOYSA-N 0 3 303.402 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cc(C)cn3c2)CC1 ZINC000672869676 547923039 /nfs/dbraw/zinc/92/30/39/547923039.db2.gz XYKDRTRUAVSUTR-UHFFFAOYSA-N 0 3 311.429 3.018 20 30 DGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741966 548755648 /nfs/dbraw/zinc/75/56/48/548755648.db2.gz HUJPJTIIXZPLTK-KXBFYZLASA-N 0 3 312.413 3.248 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000679365094 548887143 /nfs/dbraw/zinc/88/71/43/548887143.db2.gz ZFSVJIHTALPBJT-UHFFFAOYSA-N 0 3 324.424 3.403 20 30 DGEDHN C=CCOCCNCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000679486387 548903106 /nfs/dbraw/zinc/90/31/06/548903106.db2.gz KFQGHPLNUGSQRJ-UHFFFAOYSA-N 0 3 313.445 3.149 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000679575862 548920014 /nfs/dbraw/zinc/92/00/14/548920014.db2.gz CUDVKHWLIYYWFT-HNNXBMFYSA-N 0 3 319.449 3.414 20 30 DGEDHN C=CCCOCCCCc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000680778931 549102110 /nfs/dbraw/zinc/10/21/10/549102110.db2.gz XBURGVFFIQKSFN-MQVJKMGUSA-N 0 3 319.449 3.325 20 30 DGEDHN COCc1cncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000680933876 549131231 /nfs/dbraw/zinc/13/12/31/549131231.db2.gz FVQZRZGXFRGVPU-INIZCTEOSA-N 0 3 317.348 3.266 20 30 DGEDHN C=CCN1CCC(Nc2ncc(Br)cc2F)CC1 ZINC000681385526 549200311 /nfs/dbraw/zinc/20/03/11/549200311.db2.gz XZARDEFBORGKCD-UHFFFAOYSA-N 0 3 314.202 3.046 20 30 DGEDHN C=CCCC[C@H](C)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000681033289 549149009 /nfs/dbraw/zinc/14/90/09/549149009.db2.gz YRHWOYTVSLZQAK-INIZCTEOSA-N 0 3 302.466 3.467 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000681060289 549154509 /nfs/dbraw/zinc/15/45/09/549154509.db2.gz CDUCUFMBCLUTGH-HNNXBMFYSA-N 0 3 316.445 3.184 20 30 DGEDHN CN(C)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)ccn1 ZINC000681352577 549195002 /nfs/dbraw/zinc/19/50/02/549195002.db2.gz WEWSPMSUFJARMS-HNNXBMFYSA-N 0 3 316.364 3.186 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)CC(F)(F)F)CC1 ZINC000681967963 549269549 /nfs/dbraw/zinc/26/95/49/549269549.db2.gz OQSZTCVJUODIFE-UHFFFAOYSA-N 0 3 321.387 3.057 20 30 DGEDHN CC(C)OC1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000730570536 574532097 /nfs/dbraw/zinc/53/20/97/574532097.db2.gz MDEQFQIBTKXGCH-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741465093 574549638 /nfs/dbraw/zinc/54/96/38/574549638.db2.gz SXVISEFNMOXEKG-AWZUXOBASA-N 0 3 303.450 3.140 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000741465093 574549640 /nfs/dbraw/zinc/54/96/40/574549640.db2.gz SXVISEFNMOXEKG-AWZUXOBASA-N 0 3 303.450 3.140 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@H](C)N(C)Cc1ccccc1 ZINC000731936834 574563157 /nfs/dbraw/zinc/56/31/57/574563157.db2.gz AQEONJSQWSCMCR-NPRIEWAGSA-N 0 3 312.413 3.340 20 30 DGEDHN C#CCOc1ccc(CNCc2ccccc2N(C)CC)cc1 ZINC000733328125 574616269 /nfs/dbraw/zinc/61/62/69/574616269.db2.gz IDXWQCJHLUSYFO-UHFFFAOYSA-N 0 3 308.425 3.445 20 30 DGEDHN C=C(C)CN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734147617 574651479 /nfs/dbraw/zinc/65/14/79/574651479.db2.gz NFJZCHKPBRBGHG-ZDUSSCGKSA-N 0 3 313.426 3.371 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000735206110 574692402 /nfs/dbraw/zinc/69/24/02/574692402.db2.gz JDJXEEVMROAHCE-WYGGZMRJSA-N 0 3 308.740 3.483 20 30 DGEDHN C=CC[N@H+](CCC1CCCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419339 574701080 /nfs/dbraw/zinc/70/10/80/574701080.db2.gz RWOVPVQHOZCXOH-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@@H+](CCC1CCCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419339 574701082 /nfs/dbraw/zinc/70/10/82/574701082.db2.gz RWOVPVQHOZCXOH-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@H+](CCC1CCCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419339 574701084 /nfs/dbraw/zinc/70/10/84/574701084.db2.gz RWOVPVQHOZCXOH-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@@H+](CCC1CCCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419339 574701085 /nfs/dbraw/zinc/70/10/85/574701085.db2.gz RWOVPVQHOZCXOH-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN CC(C)CNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000735669980 574711407 /nfs/dbraw/zinc/71/14/07/574711407.db2.gz UXSYXADUARXJAR-OAHLLOKOSA-N 0 3 313.445 3.103 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCc3nccs3)nc21 ZINC000735789429 574715157 /nfs/dbraw/zinc/71/51/57/574715157.db2.gz LRFHMNDIAMUTQO-LLVKDONJSA-N 0 3 310.382 3.137 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CCc3nccs3)[nH]c21 ZINC000735789429 574715160 /nfs/dbraw/zinc/71/51/60/574715160.db2.gz LRFHMNDIAMUTQO-LLVKDONJSA-N 0 3 310.382 3.137 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741256907 574954606 /nfs/dbraw/zinc/95/46/06/574954606.db2.gz QOAWIARQGOCKOB-HNNXBMFYSA-N 0 3 304.752 3.174 20 30 DGEDHN Cc1cccc(NC(=S)NN=C2CCN(C)[C@@H](C)C2)c1C ZINC000741453256 574958373 /nfs/dbraw/zinc/95/83/73/574958373.db2.gz NTVUDSUJZJUWRG-LBPRGKRZSA-N 0 3 304.463 3.060 20 30 DGEDHN Cc1ccc(NC(=S)NN=C2CCN(C)[C@@H](C)C2)cc1C ZINC000741458857 574958398 /nfs/dbraw/zinc/95/83/98/574958398.db2.gz XKLOPXGCDNBMRX-ZDUSSCGKSA-N 0 3 304.463 3.060 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000741579562 574963452 /nfs/dbraw/zinc/96/34/52/574963452.db2.gz NQJGARKZRJYSNR-IRXDYDNUSA-N 0 3 312.498 3.162 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000742707003 575014223 /nfs/dbraw/zinc/01/42/23/575014223.db2.gz SZXGBIGTSRCNFZ-BBRMVZONSA-N 0 3 304.409 3.031 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2cccc(OCC)c2)CC1 ZINC000742999486 575027842 /nfs/dbraw/zinc/02/78/42/575027842.db2.gz XJJYWGVVHNBXGC-UHFFFAOYSA-N 0 3 319.474 3.022 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000743492161 575054548 /nfs/dbraw/zinc/05/45/48/575054548.db2.gz QSOVDCUBIGAFEX-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743620443 575059024 /nfs/dbraw/zinc/05/90/24/575059024.db2.gz MPRFXYGNFMEZPG-HNNXBMFYSA-N 0 3 321.852 3.045 20 30 DGEDHN CCN(CCOc1ccccc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000743866096 575066726 /nfs/dbraw/zinc/06/67/26/575066726.db2.gz GKEXZFWZUWHIDL-IBGZPJMESA-N 0 3 324.424 3.301 20 30 DGEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000744032003 575069034 /nfs/dbraw/zinc/06/90/34/575069034.db2.gz GRBJHNPUXAYQTA-ZTYXWKCZSA-N 0 3 306.724 3.093 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)cc1 ZINC000744029261 575069102 /nfs/dbraw/zinc/06/91/02/575069102.db2.gz RLZHISHXSYTVJZ-DOMZBBRYSA-N 0 3 310.353 3.293 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C ZINC000744033937 575069454 /nfs/dbraw/zinc/06/94/54/575069454.db2.gz YYZYGLJJVNJWAE-RSKUSDAESA-N 0 3 314.385 3.335 20 30 DGEDHN CC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729473301 575251099 /nfs/dbraw/zinc/25/10/99/575251099.db2.gz WLRWAEHICDRWJK-RYUDHWBXSA-N 0 3 301.415 3.203 20 30 DGEDHN N#CCOc1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000729685380 575260657 /nfs/dbraw/zinc/26/06/57/575260657.db2.gz OLGGJFGIWYZWLG-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccc(CC)cc2)CC1 ZINC000729941756 575267689 /nfs/dbraw/zinc/26/76/89/575267689.db2.gz BHQNICAOJJIIJF-UHFFFAOYSA-N 0 3 303.475 3.186 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000746743116 575472973 /nfs/dbraw/zinc/47/29/73/575472973.db2.gz VYCDRUFZMMLBPD-UHFFFAOYSA-N 0 3 308.381 3.421 20 30 DGEDHN COC[C@H](Cc1ccccc1)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000747100904 575496344 /nfs/dbraw/zinc/49/63/44/575496344.db2.gz XZLZZZWUAJKHGQ-LPHOPBHVSA-N 0 3 324.424 3.325 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(F)n2)c([O-])c1 ZINC000747691798 575533067 /nfs/dbraw/zinc/53/30/67/575533067.db2.gz WKENWKBYAXPJFT-ODLFYWEKSA-N 0 3 301.365 3.392 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOCc2ccc3c(c2)CCC3)cc1 ZINC000747838913 575545326 /nfs/dbraw/zinc/54/53/26/575545326.db2.gz RGSHYXCVLCTMOH-UHFFFAOYSA-N 0 3 323.440 3.074 20 30 DGEDHN CN(CCC1CC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000749531987 575663601 /nfs/dbraw/zinc/66/36/01/575663601.db2.gz PUPUPFKZERUJRM-ZDUSSCGKSA-N 0 3 313.426 3.204 20 30 DGEDHN N#Cc1cc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)ccn1 ZINC000749523321 575663796 /nfs/dbraw/zinc/66/37/96/575663796.db2.gz UBRYBDJJWIIGIT-RBUKOAKNSA-N 0 3 307.397 3.041 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCC(C)(O)CC2)c([O-])c1 ZINC000749844098 575682494 /nfs/dbraw/zinc/68/24/94/575682494.db2.gz HLSXEPGPXHEBCI-UYRXBGFRSA-N 0 3 304.434 3.351 20 30 DGEDHN [O-]c1c(O)ccc(/C=N\C2CCC([NH+]3CCCCC3)CC2)c1O ZINC000750818036 575753584 /nfs/dbraw/zinc/75/35/84/575753584.db2.gz NAEVFPZFKJPZJZ-UNOMPAQXSA-N 0 3 318.417 3.019 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C)C2)cc1C ZINC000752075371 575821128 /nfs/dbraw/zinc/82/11/28/575821128.db2.gz JCPNBAWKRKENQJ-CALCHBBNSA-N 0 3 313.445 3.138 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000726438837 576023185 /nfs/dbraw/zinc/02/31/85/576023185.db2.gz XRUIEYHVRNCQSG-SFHVURJKSA-N 0 3 323.465 3.257 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CC[C@@H](COC)C1 ZINC000739868796 576037825 /nfs/dbraw/zinc/03/78/25/576037825.db2.gz FLOKOPGKUYKEBH-CQSZACIVSA-N 0 3 317.458 3.240 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC000738315057 576048520 /nfs/dbraw/zinc/04/85/20/576048520.db2.gz SQBKEXIXTVJXAO-ZDUSSCGKSA-N 0 3 313.426 3.347 20 30 DGEDHN N#Cc1ccc(OC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000727290651 576118483 /nfs/dbraw/zinc/11/84/83/576118483.db2.gz IKZYNSFXRLPCNU-UHFFFAOYSA-N 0 3 320.392 3.376 20 30 DGEDHN CC[C@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727833307 576148266 /nfs/dbraw/zinc/14/82/66/576148266.db2.gz QTQBTIXZYXRFEZ-LSDHHAIUSA-N 0 3 320.396 3.098 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(CCN2CC[C@](C)(C#N)C2)CC1 ZINC000852686272 620641288 /nfs/dbraw/zinc/64/12/88/620641288.db2.gz HEKYNYXNSZMSNF-GOSISDBHSA-N 0 3 321.465 3.259 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccoc1 ZINC000916902826 620649307 /nfs/dbraw/zinc/64/93/07/620649307.db2.gz IBHYBNWELLQPAC-OAHLLOKOSA-N 0 3 310.353 3.366 20 30 DGEDHN C#CCN(C[C@H](O)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000917116976 620657184 /nfs/dbraw/zinc/65/71/84/620657184.db2.gz CLFFLTXBZZMBHL-UXHICEINSA-N 0 3 309.384 3.482 20 30 DGEDHN C#C[C@@H](/N=C\c1ccc(N(CC)CC)cc1O)C1CCOCC1 ZINC000852999174 620658913 /nfs/dbraw/zinc/65/89/13/620658913.db2.gz XPYLXPUNUPATGM-WRDGEJPTSA-N 0 3 314.429 3.086 20 30 DGEDHN C=CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C ZINC000917168172 620659222 /nfs/dbraw/zinc/65/92/22/620659222.db2.gz QYLFWDBJMNWKJU-HNNXBMFYSA-N 0 3 320.396 3.120 20 30 DGEDHN N#CC(C(=O)CCn1cc(Cl)cn1)c1ccc2ccccc2n1 ZINC000917422285 620669013 /nfs/dbraw/zinc/66/90/13/620669013.db2.gz BQBRLGGJUBVUHB-AWEZNQCLSA-N 0 3 324.771 3.351 20 30 DGEDHN CN1CCC[C@H]1CSc1nc(C(F)(F)F)ccc1C#N ZINC000917512808 620672060 /nfs/dbraw/zinc/67/20/60/620672060.db2.gz IKIDUPDCBFOAJE-JTQLQIEISA-N 0 3 301.337 3.158 20 30 DGEDHN C=CCN1CCC(Nc2nc(N)nc(Cl)c2CCCC)CC1 ZINC000853288612 620684345 /nfs/dbraw/zinc/68/43/45/620684345.db2.gz DPECQUFKZVXZSV-UHFFFAOYSA-N 0 3 323.872 3.117 20 30 DGEDHN C=CC[C@H]1CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000890563002 617612730 /nfs/dbraw/zinc/61/27/30/617612730.db2.gz LVKHWUNYWTZJCR-AEFFLSMTSA-N 0 3 316.420 3.215 20 30 DGEDHN C#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000891313752 617772729 /nfs/dbraw/zinc/77/27/29/617772729.db2.gz XNLRJOZBJMYNMK-KBPBESRZSA-N 0 3 311.303 3.354 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000892259549 617998600 /nfs/dbraw/zinc/99/86/00/617998600.db2.gz BWRAFYAKCORZJF-ZBFHGGJFSA-N 0 3 301.434 3.086 20 30 DGEDHN C#CCN1CCC(C(=O)NC2CCC(C(C)(C)CC)CC2)CC1 ZINC000919963254 620774447 /nfs/dbraw/zinc/77/44/47/620774447.db2.gz RZPYIBOUJCRACS-UHFFFAOYSA-N 0 3 318.505 3.443 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CC2)cc1 ZINC000892501594 618084338 /nfs/dbraw/zinc/08/43/38/618084338.db2.gz PFSFCTAJAGOKPA-LRDDRELGSA-N 0 3 314.385 3.026 20 30 DGEDHN CN1CCN(Cc2ccccc2-c2ccc(OCC#N)cc2)CC1 ZINC000854194846 620781558 /nfs/dbraw/zinc/78/15/58/620781558.db2.gz RFSWNZWLLSDLOK-UHFFFAOYSA-N 0 3 321.424 3.003 20 30 DGEDHN C=CCN1CCC(NC(=O)N2Cc3ccccc3[C@H]2CC)CC1 ZINC000892858712 618332530 /nfs/dbraw/zinc/33/25/30/618332530.db2.gz WNELNOUIQBTGSK-GOSISDBHSA-N 0 3 313.445 3.313 20 30 DGEDHN C=CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1CC1 ZINC000894456674 618338162 /nfs/dbraw/zinc/33/81/62/618338162.db2.gz RMPYCUQQMGKYRA-NSHDSACASA-N 0 3 304.381 3.185 20 30 DGEDHN C[C@@]1(Br)C[C@@H]1CNC1(c2cccc(C#N)c2)CC1 ZINC000893190168 618467548 /nfs/dbraw/zinc/46/75/48/618467548.db2.gz AHRSEMSYBUXXBW-ZIAGYGMSSA-N 0 3 305.219 3.310 20 30 DGEDHN COc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(O)c1OC ZINC000893192369 618468649 /nfs/dbraw/zinc/46/86/49/618468649.db2.gz UFTIXLJEZGSFOX-UHFFFAOYSA-N 0 3 324.380 3.060 20 30 DGEDHN C#C[C@H](NC[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870047 618483922 /nfs/dbraw/zinc/48/39/22/618483922.db2.gz HQSNSAXNDDDYRL-DOMZBBRYSA-N 0 3 308.219 3.140 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc3c2NCCC3)cc1 ZINC000894904848 618496570 /nfs/dbraw/zinc/49/65/70/618496570.db2.gz AKQZQBRMAVXITN-UHFFFAOYSA-N 0 3 306.409 3.347 20 30 DGEDHN C=C1CCC(C(=O)Nc2ccc(CN(C)C)cc2OC)CC1 ZINC000909474178 618555038 /nfs/dbraw/zinc/55/50/38/618555038.db2.gz FNMSNOLEGNBLDH-UHFFFAOYSA-N 0 3 302.418 3.442 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000895469457 618789054 /nfs/dbraw/zinc/78/90/54/618789054.db2.gz ZEIXRUSYWSICEE-KRWDZBQOSA-N 0 3 324.449 3.296 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@@H](c2nccs2)C1 ZINC000895584822 618802313 /nfs/dbraw/zinc/80/23/13/618802313.db2.gz SZVKIRNFHXGFBC-CQSZACIVSA-N 0 3 312.442 3.070 20 30 DGEDHN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CCOC2(CCC2)C1 ZINC000895820114 618835816 /nfs/dbraw/zinc/83/58/16/618835816.db2.gz DSHXBPBNMMWSRO-MRXNPFEDSA-N 0 3 319.836 3.436 20 30 DGEDHN COc1ccc([C@H](C)NCc2cnc3ccc(C#N)cn23)cc1C ZINC000896804213 618958975 /nfs/dbraw/zinc/95/89/75/618958975.db2.gz SCTDSKUXZUODNZ-AWEZNQCLSA-N 0 3 320.396 3.374 20 30 DGEDHN CCOC(=O)C1(C(F)(F)F)CCN(C[C@@H](C)CCC#N)CC1 ZINC000896961502 618995344 /nfs/dbraw/zinc/99/53/44/618995344.db2.gz AKRKFEHNBGJMFK-LBPRGKRZSA-N 0 3 320.355 3.134 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000897035834 619004601 /nfs/dbraw/zinc/00/46/01/619004601.db2.gz WQGKKLGXHDBQTH-OAHLLOKOSA-N 0 3 314.429 3.104 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000897330920 619060167 /nfs/dbraw/zinc/06/01/67/619060167.db2.gz JHIBBTHKQZTTHG-XUJVJEKNSA-N 0 3 312.335 3.411 20 30 DGEDHN C#CC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000862445108 619109462 /nfs/dbraw/zinc/10/94/62/619109462.db2.gz LZYFJRATKTUGCH-GFCCVEGCSA-N 0 3 308.219 3.308 20 30 DGEDHN C#CC[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000862445108 619109465 /nfs/dbraw/zinc/10/94/65/619109465.db2.gz LZYFJRATKTUGCH-GFCCVEGCSA-N 0 3 308.219 3.308 20 30 DGEDHN CC1(C)CC[C@@H](CCNCc2cc(C#N)cnc2Cl)OC1 ZINC000897475959 619133215 /nfs/dbraw/zinc/13/32/15/619133215.db2.gz GOJYFLKSVIUTFJ-AWEZNQCLSA-N 0 3 307.825 3.292 20 30 DGEDHN Cn1nc2c(c1CN1CCC(c3ccc(C#N)cc3)CC1)CCC2 ZINC000897589453 619163874 /nfs/dbraw/zinc/16/38/74/619163874.db2.gz YTXVCJJCZAJQIH-UHFFFAOYSA-N 0 3 320.440 3.160 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NCc1ccccc1CN1CCCC1=O ZINC000924641246 619251962 /nfs/dbraw/zinc/25/19/62/619251962.db2.gz XROKEXNCNZTJOR-OAHLLOKOSA-N 0 3 313.445 3.227 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CN[C@@H](C)CC(C)(C)C#N)cn2)n1 ZINC000924701349 619260480 /nfs/dbraw/zinc/26/04/80/619260480.db2.gz KJKVPTPUCDLXHH-AWEZNQCLSA-N 0 3 311.433 3.302 20 30 DGEDHN N#CCCn1cc(CNC/C=C\Cl)c(-c2ccccc2)n1 ZINC000898434881 619275545 /nfs/dbraw/zinc/27/55/45/619275545.db2.gz CHQMSVKPXNQXLK-YWEYNIOJSA-N 0 3 300.793 3.306 20 30 DGEDHN N#CC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CCCCC1 ZINC000900463500 619430362 /nfs/dbraw/zinc/43/03/62/619430362.db2.gz FMWUXBAQTZFRNP-UHFFFAOYSA-N 0 3 310.401 3.247 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2cccc(O)c2)CC1 ZINC000901127398 619473289 /nfs/dbraw/zinc/47/32/89/619473289.db2.gz OAAKICCFJSSMRA-UHFFFAOYSA-N 0 3 316.445 3.029 20 30 DGEDHN CC[C@@H](NCc1ccc(C(=O)NC)cc1)c1cccc(C#N)c1 ZINC000902740320 619665681 /nfs/dbraw/zinc/66/56/81/619665681.db2.gz RPBUVIMRZPICEQ-GOSISDBHSA-N 0 3 307.397 3.159 20 30 DGEDHN COc1ccccc1O[C@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902821309 619679323 /nfs/dbraw/zinc/67/93/23/619679323.db2.gz HQYBQTWYWJTAIC-KGLIPLIRSA-N 0 3 311.385 3.080 20 30 DGEDHN CC[C@H](NCC(=O)N(C)C1CCCCC1)c1cccc(C#N)c1 ZINC000902832343 619681900 /nfs/dbraw/zinc/68/19/00/619681900.db2.gz UAZRMVAUMKYEGN-SFHVURJKSA-N 0 3 313.445 3.390 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902889354 619688836 /nfs/dbraw/zinc/68/88/36/619688836.db2.gz IDUUBNMJTXZODQ-HOCLYGCPSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@H](O)[C@](C)(CN[C@@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000902969682 619696108 /nfs/dbraw/zinc/69/61/08/619696108.db2.gz GBMAPLFBWLELAV-FTRWYGJKSA-N 0 3 323.440 3.234 20 30 DGEDHN CC[C@@H](N[C@H](CC(=O)NC)c1ccccc1)c1cccc(C#N)c1 ZINC000902980275 619699315 /nfs/dbraw/zinc/69/93/15/619699315.db2.gz YWBGTJXKGRQISH-RTBURBONSA-N 0 3 321.424 3.476 20 30 DGEDHN C[C@H](N[C@H]1CCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902998525 619703057 /nfs/dbraw/zinc/70/30/57/619703057.db2.gz FKERCPUFXWPWSQ-ZFWWWQNUSA-N 0 3 310.376 3.022 20 30 DGEDHN C[C@@H](NCCOc1ccc(F)c(Cl)c1)c1cc(C#N)ccn1 ZINC000903004450 619703700 /nfs/dbraw/zinc/70/37/00/619703700.db2.gz BFNJEGFHHLNFOS-LLVKDONJSA-N 0 3 319.767 3.475 20 30 DGEDHN C[C@@H](NCC1(C#N)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000903031638 619704793 /nfs/dbraw/zinc/70/47/93/619704793.db2.gz CJTKDAYVERJXTI-CQSZACIVSA-N 0 3 321.465 3.305 20 30 DGEDHN CC(C)[C@H](CN[C@H](C)c1cc(C#N)ccn1)C(=O)OC(C)(C)C ZINC000903045861 619710311 /nfs/dbraw/zinc/71/03/11/619710311.db2.gz XDOYUQAMHZOVGR-HIFRSBDPSA-N 0 3 317.433 3.218 20 30 DGEDHN C[C@@H](NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(C#N)ccn1 ZINC000903051701 619711051 /nfs/dbraw/zinc/71/10/51/619711051.db2.gz VRHARJMYZKNXMR-JLSDUUJJSA-N 0 3 307.397 3.177 20 30 DGEDHN C=CCC[C@@H](N[C@@H](C)C(=O)NCCF)c1cccc(Cl)c1 ZINC000903168578 619732880 /nfs/dbraw/zinc/73/28/80/619732880.db2.gz XZQFLTOPBBXTKT-SWLSCSKDSA-N 0 3 312.816 3.411 20 30 DGEDHN Cc1nc2ccccn2c1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000903422491 619776514 /nfs/dbraw/zinc/77/65/14/619776514.db2.gz MWSFHYWNRVJPSU-KRWDZBQOSA-N 0 3 302.381 3.292 20 30 DGEDHN CC(C)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1[N+](=O)[O-] ZINC000905081113 619968307 /nfs/dbraw/zinc/96/83/07/619968307.db2.gz PFEZOKJJEMPREC-KUKWCLJQSA-N 0 3 312.329 3.151 20 30 DGEDHN COCc1ccccc1/C=C(C)/C=C1/C(=O)c2ncnn2C1C ZINC000905085101 619968790 /nfs/dbraw/zinc/96/87/90/619968790.db2.gz MDUAUGVDTMBIKA-HTHWXWQOSA-N 0 3 309.369 3.212 20 30 DGEDHN CC1/C(=C/c2ccc(CC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905087817 619969041 /nfs/dbraw/zinc/96/90/41/619969041.db2.gz ZRIXBHWIRMMADQ-DKBJHAQFSA-N 0 3 307.275 3.224 20 30 DGEDHN C=CCOc1ccc(CNC[C@@](O)(CC)C(F)(F)F)cc1 ZINC000905256775 619982462 /nfs/dbraw/zinc/98/24/62/619982462.db2.gz RANGXKPOCCUXRW-AWEZNQCLSA-N 0 3 303.324 3.044 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1ccc(Cl)s1 ZINC000912066971 620361815 /nfs/dbraw/zinc/36/18/15/620361815.db2.gz XWFUQOPTVQWJDL-GFCCVEGCSA-N 0 3 300.855 3.434 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000912254863 620376157 /nfs/dbraw/zinc/37/61/57/620376157.db2.gz YAOBNIUNEUYGOX-HNNXBMFYSA-N 0 3 319.836 3.164 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C1CC1 ZINC000916409337 620627848 /nfs/dbraw/zinc/62/78/48/620627848.db2.gz FNWWWXPTEPXHJI-AWEZNQCLSA-N 0 3 320.506 3.383 20 30 DGEDHN Cc1ccc([C@@H](CNCc2csc(C#N)c2)N2CCCC2)o1 ZINC000921650485 620927440 /nfs/dbraw/zinc/92/74/40/620927440.db2.gz OBFCDRPZOKNLGW-MRXNPFEDSA-N 0 3 315.442 3.448 20 30 DGEDHN CN(C)Cc1cc(CNCc2csc(C#N)c2)ccc1F ZINC000921745651 620943530 /nfs/dbraw/zinc/94/35/30/620943530.db2.gz OTNIQJYIDPVSMD-UHFFFAOYSA-N 0 3 303.406 3.110 20 30 DGEDHN C[C@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CS1 ZINC000922182042 621001857 /nfs/dbraw/zinc/00/18/57/621001857.db2.gz DVTKLYUCPGYVOB-JOYOIKCWSA-N 0 3 311.248 3.304 20 30 DGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1nc2ccccc2s1 ZINC000856736996 621014433 /nfs/dbraw/zinc/01/44/33/621014433.db2.gz QFKVAXXTUZRQIQ-NWDGAFQWSA-N 0 3 303.431 3.248 20 30 DGEDHN CC(C)(C)OC(=O)C1(CNCc2csc(C#N)c2)CCC1 ZINC000922266232 621014936 /nfs/dbraw/zinc/01/49/36/621014936.db2.gz JXDISIRUFDMYLC-UHFFFAOYSA-N 0 3 306.431 3.221 20 30 DGEDHN Cn1c(Cl)cnc1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000922598876 621063345 /nfs/dbraw/zinc/06/33/45/621063345.db2.gz BHAATAXGCAIUHP-UHFFFAOYSA-N 0 3 302.809 3.056 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c(F)c1 ZINC000922698913 621084496 /nfs/dbraw/zinc/08/44/96/621084496.db2.gz TVKJIRUUMCDEQE-JSGCOSHPSA-N 0 3 316.298 3.287 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cnn(C)c1 ZINC000922891746 621116194 /nfs/dbraw/zinc/11/61/94/621116194.db2.gz YHGPCMQLJLLMIF-GOSISDBHSA-N 0 3 308.429 3.462 20 30 DGEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)c(C)c1OC ZINC000922966157 621138606 /nfs/dbraw/zinc/13/86/06/621138606.db2.gz IEBANPRDGCTGPJ-UHFFFAOYSA-N 0 3 310.397 3.482 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000858040499 621147729 /nfs/dbraw/zinc/14/77/29/621147729.db2.gz OSQZQYQKAXAAQG-MAUKXSAKSA-N 0 3 307.397 3.476 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC[C@H]1CCCOC1 ZINC000858207382 621164680 /nfs/dbraw/zinc/16/46/80/621164680.db2.gz PLVAUNHPVJGPRE-CQSZACIVSA-N 0 3 307.821 3.258 20 30 DGEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C#N ZINC000859231657 621263773 /nfs/dbraw/zinc/26/37/73/621263773.db2.gz MJYOCAILWMNWLK-AWEZNQCLSA-N 0 3 319.408 3.236 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000838864876 621292788 /nfs/dbraw/zinc/29/27/88/621292788.db2.gz JBPUKBMHBNPRAL-KBPBESRZSA-N 0 3 322.355 3.002 20 30 DGEDHN C[C@H]1CN(c2ccccc2CNCc2ccc(C#N)cc2)CCO1 ZINC000838903783 621296181 /nfs/dbraw/zinc/29/61/81/621296181.db2.gz BYMZORGGWYNNQM-INIZCTEOSA-N 0 3 321.424 3.073 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000103330350 621348879 /nfs/dbraw/zinc/34/88/79/621348879.db2.gz VELCLLQSQCCBOV-HZPDHXFCSA-N 0 3 300.402 3.050 20 30 DGEDHN N#CC1(CCN2CCC[C@@H](N3CCCCC3=O)C2)CCCCC1 ZINC000839491693 621380402 /nfs/dbraw/zinc/38/04/02/621380402.db2.gz ZDJFYARZWGAGIB-QGZVFWFLSA-N 0 3 317.477 3.327 20 30 DGEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000860779476 621442208 /nfs/dbraw/zinc/44/22/08/621442208.db2.gz CGSIVYDDHUIHTE-FZMZJTMJSA-N 0 3 312.291 3.092 20 30 DGEDHN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)C(C#N)C(=O)NC(C)C ZINC000753912396 621471147 /nfs/dbraw/zinc/47/11/47/621471147.db2.gz CLGMRPBVJDNVRK-IJEWVQPXSA-N 0 3 312.413 3.209 20 30 DGEDHN CCCCCCCCCCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861710405 621534538 /nfs/dbraw/zinc/53/45/38/621534538.db2.gz PCVHZAYICORYNW-ZWKOTPCHSA-N 0 3 324.509 3.185 20 30 DGEDHN C#C[C@H](NCc1csc(C(F)(F)F)c1)C1CCOCC1 ZINC000862418420 621587460 /nfs/dbraw/zinc/58/74/60/621587460.db2.gz IUBLBIXLJADTEE-LBPRGKRZSA-N 0 3 303.349 3.285 20 30 DGEDHN C[C@H](CN1CCN(c2ccc(C#N)nc2)CC1)c1ccc(F)cc1 ZINC000862422007 621588144 /nfs/dbraw/zinc/58/81/44/621588144.db2.gz NREUPMQUAXHOIB-OAHLLOKOSA-N 0 3 324.403 3.018 20 30 DGEDHN COc1cccc(CN2CCc3c(CC#N)cccc3C2)c1O ZINC000862542417 621598762 /nfs/dbraw/zinc/59/87/62/621598762.db2.gz OQENPPQRMZPZAG-UHFFFAOYSA-N 0 3 308.381 3.025 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000863038544 621634507 /nfs/dbraw/zinc/63/45/07/621634507.db2.gz SCVVRPLILWGRME-LJQANCHMSA-N 0 3 312.457 3.154 20 30 DGEDHN C=CCN1CCC([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756556405 621648516 /nfs/dbraw/zinc/64/85/16/621648516.db2.gz OKGXBKSSCASUPV-WFASDCNBSA-N 0 3 304.409 3.320 20 30 DGEDHN COc1cc(C)cc(CN2CCc3c(CC#N)cccc3C2)c1O ZINC000863336191 621664108 /nfs/dbraw/zinc/66/41/08/621664108.db2.gz OVGYCOKTXXXAQJ-UHFFFAOYSA-N 0 3 322.408 3.334 20 30 DGEDHN CN1CCN(c2ccc(NCc3cccc(F)c3C#N)cc2)CC1 ZINC000863998537 621725819 /nfs/dbraw/zinc/72/58/19/621725819.db2.gz CKGINSTTXSHUOU-UHFFFAOYSA-N 0 3 324.403 3.061 20 30 DGEDHN C#CC[C@@H](NC(=O)CN(C)CCCCCC)c1ccccc1 ZINC000757615662 621728969 /nfs/dbraw/zinc/72/89/69/621728969.db2.gz WANMDUCWCLVEJX-GOSISDBHSA-N 0 3 300.446 3.379 20 30 DGEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758202085 621765670 /nfs/dbraw/zinc/76/56/70/621765670.db2.gz GICZWCGZUPOFSO-MOPGFXCFSA-N 0 3 321.424 3.336 20 30 DGEDHN CC(C)(C)c1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000760332365 621932673 /nfs/dbraw/zinc/93/26/73/621932673.db2.gz FLEPFVWYLZVURX-HNNXBMFYSA-N 0 3 309.369 3.029 20 30 DGEDHN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)C(C#N)c1ccncn1 ZINC000760332561 621932705 /nfs/dbraw/zinc/93/27/05/621932705.db2.gz HCOKNCZODKSCEY-NYTXWWLZSA-N 0 3 301.390 3.027 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000760346590 621934018 /nfs/dbraw/zinc/93/40/18/621934018.db2.gz SMKFIKAMVNAKIB-BSXFFOKHSA-N 0 3 315.417 3.130 20 30 DGEDHN C=CCN1CCC(Nc2nc(Cl)nc3ccccc32)CC1 ZINC000865522155 621941921 /nfs/dbraw/zinc/94/19/21/621941921.db2.gz MXVDDLUBFQJLSS-UHFFFAOYSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCCC1(CNCc2cn(C[C@@H]3CCCO3)nn2)CCCC1 ZINC000865623879 621964715 /nfs/dbraw/zinc/96/47/15/621964715.db2.gz OYCZKUKVVCXBAQ-KRWDZBQOSA-N 0 3 318.465 3.073 20 30 DGEDHN C[C@@H]1CC(N=Nc2ccc(F)cc2Br)CN1C ZINC000761804533 622030508 /nfs/dbraw/zinc/03/05/08/622030508.db2.gz PZTKFOCQGGPHSS-MRVPVSSYSA-N 0 3 300.175 3.080 20 30 DGEDHN CC(C)CN1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866308025 622090156 /nfs/dbraw/zinc/09/01/56/622090156.db2.gz OQVXLOGVVGONDA-HZPDHXFCSA-N 0 3 315.461 3.282 20 30 DGEDHN C[C@H]1C[C@@H](NC2CCN(c3ccccc3C#N)CC2)c2nccn21 ZINC000866448461 622120467 /nfs/dbraw/zinc/12/04/67/622120467.db2.gz GHHQTRVLQNKKJD-WMLDXEAASA-N 0 3 321.428 3.019 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc(C4CCC4)no3)CC2)C1 ZINC000866582150 622142075 /nfs/dbraw/zinc/14/20/75/622142075.db2.gz MTPYDWCIZHGTMK-SWLSCSKDSA-N 0 3 300.406 3.209 20 30 DGEDHN C[C@H]1c2ccc(F)cc2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763412402 622144237 /nfs/dbraw/zinc/14/42/37/622144237.db2.gz XUEBYAADUUUYJL-ORAYPTAESA-N 0 3 310.372 3.350 20 30 DGEDHN CCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764207647 622183802 /nfs/dbraw/zinc/18/38/02/622183802.db2.gz CWXSGEPMTLISGY-INIZCTEOSA-N 0 3 301.434 3.362 20 30 DGEDHN CC(=NNCc1cccc(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000764716373 622215423 /nfs/dbraw/zinc/21/54/23/622215423.db2.gz XFIVZHNYKWRMLE-UHFFFAOYSA-N 0 3 323.440 3.345 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCCCC1 ZINC000765204906 622252035 /nfs/dbraw/zinc/25/20/35/622252035.db2.gz KCRFANURFFHSED-QGZVFWFLSA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCCCN1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000766904388 622360459 /nfs/dbraw/zinc/36/04/59/622360459.db2.gz ZJWJWKTUXFKMPD-GOSISDBHSA-N 0 3 306.400 3.447 20 30 DGEDHN C#CCC1(C(=O)NCCN2CCCC(C)(C)C2)CCCCC1 ZINC000768106799 622438827 /nfs/dbraw/zinc/43/88/27/622438827.db2.gz XEDTUEYVHFWRES-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN(Cc1ccc2c(c1)nnn2C)[C@@H]1CCc2ccccc21 ZINC000768536771 622462995 /nfs/dbraw/zinc/46/29/95/622462995.db2.gz XJCOWEJYXVRIFW-LJQANCHMSA-N 0 3 316.408 3.091 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(OC(C)C)CC2)cc1 ZINC000768991810 622490657 /nfs/dbraw/zinc/49/06/57/622490657.db2.gz FVJGBOATZIRSAW-UHFFFAOYSA-N 0 3 301.430 3.478 20 30 DGEDHN CC(C)OC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000768992826 622490721 /nfs/dbraw/zinc/49/07/21/622490721.db2.gz PFCIAYMHRUEMPE-HNNXBMFYSA-N 0 3 302.418 3.367 20 30 DGEDHN C#CCOc1ccccc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000769229909 622508795 /nfs/dbraw/zinc/50/87/95/622508795.db2.gz UPXGCHBHRWAIOU-IBGZPJMESA-N 0 3 306.409 3.385 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769281709 622513337 /nfs/dbraw/zinc/51/33/37/622513337.db2.gz KYBZZECIRIVQQT-GJZGRUSLSA-N 0 3 304.365 3.103 20 30 DGEDHN C#CCSCCNCc1c(Cl)cccc1N1CCCC1 ZINC000770737998 622665909 /nfs/dbraw/zinc/66/59/09/622665909.db2.gz CFZNOILLQUQTSD-UHFFFAOYSA-N 0 3 308.878 3.396 20 30 DGEDHN CC[C@@H](NCC(C)(C)CC#N)C(=O)N(C)c1ccc(C)cc1 ZINC000871887192 622732009 /nfs/dbraw/zinc/73/20/09/622732009.db2.gz ZKOWOTAIHIUSIT-MRXNPFEDSA-N 0 3 301.434 3.266 20 30 DGEDHN COCCc1nc(C)c([C@@H](C)NCc2ccc(C#N)cc2)s1 ZINC000771385222 622752139 /nfs/dbraw/zinc/75/21/39/622752139.db2.gz REPWAEATHOEFLM-GFCCVEGCSA-N 0 3 315.442 3.363 20 30 DGEDHN CC1(C)CCCC[C@@H]1NN=Cc1ccc(N2CCOCC2)cc1 ZINC000773124482 622988052 /nfs/dbraw/zinc/98/80/52/622988052.db2.gz JQZISVMRRZXEHN-SFHVURJKSA-N 0 3 315.461 3.416 20 30 DGEDHN C=CC(C)(C)CCNCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873139843 623047110 /nfs/dbraw/zinc/04/71/10/623047110.db2.gz DSQPZBIJHXEOAV-UHFFFAOYSA-N 0 3 314.433 3.027 20 30 DGEDHN C#CCCCN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000775184916 623239675 /nfs/dbraw/zinc/23/96/75/623239675.db2.gz OHVLBHRLGVQXLD-LLVKDONJSA-N 0 3 324.218 3.284 20 30 DGEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000775227992 623243374 /nfs/dbraw/zinc/24/33/74/623243374.db2.gz RHKWXROTEMTCCZ-CQSZACIVSA-N 0 3 316.744 3.132 20 30 DGEDHN C=CC[C@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccncc1 ZINC000775310612 623251390 /nfs/dbraw/zinc/25/13/90/623251390.db2.gz KIKPHOZZQSODNO-SFHVURJKSA-N 0 3 321.424 3.398 20 30 DGEDHN C#C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC000775342462 623256594 /nfs/dbraw/zinc/25/65/94/623256594.db2.gz RQDPPJQXEDMXTQ-ICSRJNTNSA-N 0 3 307.393 3.330 20 30 DGEDHN COc1ccc(O)c([C@H](C)NCc2cccc(C#N)c2F)c1 ZINC000775369775 623261018 /nfs/dbraw/zinc/26/10/18/623261018.db2.gz QTXZKVJLIFFELA-NSHDSACASA-N 0 3 300.333 3.262 20 30 DGEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000775430583 623274210 /nfs/dbraw/zinc/27/42/10/623274210.db2.gz HMVBBMUCIYRWBI-KRWDZBQOSA-N 0 3 314.335 3.149 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2([C@H](O)C(C)C)CC2)c([O-])c1 ZINC000775629274 623298671 /nfs/dbraw/zinc/29/86/71/623298671.db2.gz CXQLLSDOEXXIST-BDBXIWDTSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279742 623406948 /nfs/dbraw/zinc/40/69/48/623406948.db2.gz YSNTUPAUQFKOQZ-GOSISDBHSA-N 0 3 312.369 3.316 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1ccc(C)nc1 ZINC000778170414 623619651 /nfs/dbraw/zinc/61/96/51/623619651.db2.gz QALHRUCUKRJVHA-UHFFFAOYSA-N 0 3 314.816 3.388 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCOC(C)(C)C1 ZINC000778172117 623619730 /nfs/dbraw/zinc/61/97/30/623619730.db2.gz WLAUJVXDYXDZNY-CYBMUJFWSA-N 0 3 307.821 3.399 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)Cc1cc(C)n[nH]1 ZINC000778174646 623620385 /nfs/dbraw/zinc/62/03/85/623620385.db2.gz XETSJRXTOIARNC-GFCCVEGCSA-N 0 3 317.820 3.104 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)Cc1cc(C)[nH]n1 ZINC000778174646 623620389 /nfs/dbraw/zinc/62/03/89/623620389.db2.gz XETSJRXTOIARNC-GFCCVEGCSA-N 0 3 317.820 3.104 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000876550251 623641897 /nfs/dbraw/zinc/64/18/97/623641897.db2.gz UWDRPVDVBNDUPR-JTQLQIEISA-N 0 3 303.189 3.065 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000876566975 623646758 /nfs/dbraw/zinc/64/67/58/623646758.db2.gz YQFRWXMDQBPZLQ-HZPDHXFCSA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000876574660 623648738 /nfs/dbraw/zinc/64/87/38/623648738.db2.gz IFTDWVVMJYDABO-GFCCVEGCSA-N 0 3 320.742 3.134 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1csc2ccccc12 ZINC000876580759 623650515 /nfs/dbraw/zinc/65/05/15/623650515.db2.gz ZCEKOPUCYMZMLX-CYBMUJFWSA-N 0 3 308.834 3.330 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000876587595 623652280 /nfs/dbraw/zinc/65/22/80/623652280.db2.gz SOENRGXDUBHJNK-GWCFXTLKSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000876586540 623652680 /nfs/dbraw/zinc/65/26/80/623652680.db2.gz JPRKRNKGSMRTHH-SWLSCSKDSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000876589495 623653385 /nfs/dbraw/zinc/65/33/85/623653385.db2.gz NCTZMJDDGWWRBJ-MFKMUULPSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1cccc(Cl)c1 ZINC000876594962 623654649 /nfs/dbraw/zinc/65/46/49/623654649.db2.gz XNDCESYQFHRFNH-ZDUSSCGKSA-N 0 3 301.217 3.158 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OC1CCCC1 ZINC000876607113 623658186 /nfs/dbraw/zinc/65/81/86/623658186.db2.gz JBLOTFVVWNBAIQ-CYBMUJFWSA-N 0 3 308.809 3.416 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC(C)C)c1cccs1 ZINC000876611370 623659625 /nfs/dbraw/zinc/65/96/25/623659625.db2.gz XYBODEMRMXRLNN-VXGBXAGGSA-N 0 3 300.855 3.421 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000876613212 623660360 /nfs/dbraw/zinc/66/03/60/623660360.db2.gz LDFZYWODHSGXEE-AWEZNQCLSA-N 0 3 319.792 3.367 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000876620684 623662349 /nfs/dbraw/zinc/66/23/49/623662349.db2.gz OXBAUDIEEJATDP-PMPSAXMXSA-N 0 3 306.837 3.299 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000876626089 623663023 /nfs/dbraw/zinc/66/30/23/623663023.db2.gz ODZLGUSNAVNMTF-HIFRSBDPSA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000876664929 623674216 /nfs/dbraw/zinc/67/42/16/623674216.db2.gz JADQTEYHZVBWLK-NSHDSACASA-N 0 3 306.715 3.200 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000876672267 623677060 /nfs/dbraw/zinc/67/70/60/623677060.db2.gz LNXSZSQXBQICKX-LNHVQRHZSA-N 0 3 310.800 3.035 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccccc2F)CC1 ZINC000876673242 623677893 /nfs/dbraw/zinc/67/78/93/623677893.db2.gz LBLWCOCOOFYSLL-OAHLLOKOSA-N 0 3 310.800 3.002 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000876674843 623678429 /nfs/dbraw/zinc/67/84/29/623678429.db2.gz UUOBGHIKHCXVBE-DZKIICNBSA-N 0 3 306.837 3.169 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccc(CC)cc1 ZINC000876679773 623680395 /nfs/dbraw/zinc/68/03/95/623680395.db2.gz KGEMBPMWUWTYCX-HNNXBMFYSA-N 0 3 308.853 3.113 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1NCC(F)(F)F ZINC000876734580 623691872 /nfs/dbraw/zinc/69/18/72/623691872.db2.gz HQSKCJJRQQZPQQ-SECBINFHSA-N 0 3 321.730 3.069 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000876771338 623702792 /nfs/dbraw/zinc/70/27/92/623702792.db2.gz QDAWYJRWHLICST-MRXNPFEDSA-N 0 3 321.852 3.475 20 30 DGEDHN CCN(CCc1nccs1)Cc1cc(C#N)ccc1N(C)C ZINC000876777949 623703434 /nfs/dbraw/zinc/70/34/34/623703434.db2.gz UIYLRYOYTBQOGN-UHFFFAOYSA-N 0 3 314.458 3.145 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC4(CCCC4)C3)C2=O)cc1 ZINC000778945058 623714288 /nfs/dbraw/zinc/71/42/88/623714288.db2.gz APMRXFBFEFJEQN-SFHVURJKSA-N 0 3 323.440 3.320 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000876880466 623734686 /nfs/dbraw/zinc/73/46/86/623734686.db2.gz JQHGCDDOUSHUTE-IAGOWNOFSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1C ZINC000876889598 623737403 /nfs/dbraw/zinc/73/74/03/623737403.db2.gz OQJHVPSITUJNBA-LBPRGKRZSA-N 0 3 320.742 3.100 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000876956100 623754081 /nfs/dbraw/zinc/75/40/81/623754081.db2.gz GTPPXJLKNIKPEG-NVXWUHKLSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(C(C)C)cc2C1 ZINC000876960996 623755940 /nfs/dbraw/zinc/75/59/40/623755940.db2.gz AIQACCIOUGKSJG-INIZCTEOSA-N 0 3 306.837 3.165 20 30 DGEDHN C=CC(C)(C)CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000876991274 623761464 /nfs/dbraw/zinc/76/14/64/623761464.db2.gz WOSVQITZNBBBCR-CYBMUJFWSA-N 0 3 309.841 3.152 20 30 DGEDHN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCC#N)C1 ZINC000877065791 623781780 /nfs/dbraw/zinc/78/17/80/623781780.db2.gz WILYMRGDEDVILS-HZPDHXFCSA-N 0 3 313.445 3.259 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCC[C@H]2CCCC[C@H]2O)c1 ZINC000877098019 623791647 /nfs/dbraw/zinc/79/16/47/623791647.db2.gz IZHNZZSBDKFSEX-UKRRQHHQSA-N 0 3 307.825 3.028 20 30 DGEDHN CC(C)C[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877142429 623804483 /nfs/dbraw/zinc/80/44/83/623804483.db2.gz TVTMYOUYICUDMS-GJZGRUSLSA-N 0 3 307.825 3.290 20 30 DGEDHN CC(=NNc1ccncc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000779809348 623810939 /nfs/dbraw/zinc/81/09/39/623810939.db2.gz JBXJLRYSULYDEJ-UHFFFAOYSA-N 0 3 324.428 3.031 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@]1(C)Cc1cccc(C)c1 ZINC000877204922 623827495 /nfs/dbraw/zinc/82/74/95/623827495.db2.gz SJMYQJYRUMSYBR-FUHWJXTLSA-N 0 3 320.864 3.389 20 30 DGEDHN CC1(C)CCC[C@@](O)(CNCc2cc(C#N)cnc2Cl)C1 ZINC000877461565 623893463 /nfs/dbraw/zinc/89/34/63/623893463.db2.gz IHCGUTQYRSSYCA-INIZCTEOSA-N 0 3 307.825 3.028 20 30 DGEDHN C=C(C)CCNCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877565408 623944843 /nfs/dbraw/zinc/94/48/43/623944843.db2.gz YKIFVIPFRZHONX-UHFFFAOYSA-N 0 3 321.421 3.065 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CC23CCSCC3)c1 ZINC000877594349 623956080 /nfs/dbraw/zinc/95/60/80/623956080.db2.gz FWCIWOBCEPNUOE-ZDUSSCGKSA-N 0 3 307.850 3.230 20 30 DGEDHN C=CC[C@@H]1CCN(Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000877651421 623978592 /nfs/dbraw/zinc/97/85/92/623978592.db2.gz XWWTVLSLLGAWHZ-CYBMUJFWSA-N 0 3 318.421 3.222 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000877676867 623987939 /nfs/dbraw/zinc/98/79/39/623987939.db2.gz BCKDAKRVTPXREG-KFWWJZLASA-N 0 3 307.438 3.010 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC2([C@H]3CCCCO3)CCC2)c1 ZINC000877697842 623995724 /nfs/dbraw/zinc/99/57/24/623995724.db2.gz NQYZQLJEOIZSRG-OAHLLOKOSA-N 0 3 319.836 3.436 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCCOC1 ZINC000781455510 624073321 /nfs/dbraw/zinc/07/33/21/624073321.db2.gz DYRMYRPKOFMLBS-BZNIZROVSA-N 0 3 318.373 3.428 20 30 DGEDHN N#CCC1(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000878088104 624162823 /nfs/dbraw/zinc/16/28/23/624162823.db2.gz GVQSSIKGVXDPED-QGZVFWFLSA-N 0 3 302.393 3.265 20 30 DGEDHN COc1ccc(CN[C@H](C)c2ccc(NC(C)=O)cc2)cc1C#N ZINC000781906392 624169373 /nfs/dbraw/zinc/16/93/73/624169373.db2.gz CDGFVUDJESZWET-CYBMUJFWSA-N 0 3 323.396 3.376 20 30 DGEDHN C=CC[C@@H](C)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000878136954 624184062 /nfs/dbraw/zinc/18/40/62/624184062.db2.gz LPVWOZLQSQHFLP-CABCVRRESA-N 0 3 323.506 3.323 20 30 DGEDHN CCc1ccc2c(CN3CCC(CC#N)CC3)cc(=O)oc2c1 ZINC000782088434 624202318 /nfs/dbraw/zinc/20/23/18/624202318.db2.gz LOJTUTJNPGWVBX-UHFFFAOYSA-N 0 3 310.397 3.481 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1cc2ccccc2s1 ZINC000783289398 624335248 /nfs/dbraw/zinc/33/52/48/624335248.db2.gz LTNKWZLONUCNQS-LBPRGKRZSA-N 0 3 309.456 3.153 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCCCS1 ZINC000783351099 624339767 /nfs/dbraw/zinc/33/97/67/624339767.db2.gz TWLIRYHBQSNQPA-QWHCGFSZSA-N 0 3 322.817 3.273 20 30 DGEDHN C#CC[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878760261 624355566 /nfs/dbraw/zinc/35/55/66/624355566.db2.gz HKJSMLGGKUUZOJ-QUCCMNQESA-N 0 3 308.425 3.162 20 30 DGEDHN CCN(CC)c1ccc(C=NNCCC(=O)OC(C)(C)C)cc1 ZINC000783866709 624402304 /nfs/dbraw/zinc/40/23/04/624402304.db2.gz UBVYOJRPOHVGAN-UHFFFAOYSA-N 0 3 319.449 3.188 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000879240505 624458540 /nfs/dbraw/zinc/45/85/40/624458540.db2.gz MHLZFCUFJLSXRB-OALUTQOASA-N 0 3 310.372 3.395 20 30 DGEDHN CC1([C@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)OCCO1 ZINC000784348482 624507734 /nfs/dbraw/zinc/50/77/34/624507734.db2.gz VVQVFVVTTPOVGP-HNNXBMFYSA-N 0 3 320.820 3.187 20 30 DGEDHN COC(=O)C[C@](C)(NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000879442657 624549591 /nfs/dbraw/zinc/54/95/91/624549591.db2.gz XFRYAPBLFHRNKH-INIZCTEOSA-N 0 3 306.793 3.033 20 30 DGEDHN N#CCc1ccc(CN2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000879500002 624570114 /nfs/dbraw/zinc/57/01/14/624570114.db2.gz LFWFWZBVBMCARU-LJQANCHMSA-N 0 3 318.424 3.132 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3CSC[C@H]3C2)c(OC(F)F)c1 ZINC000879560922 624589396 /nfs/dbraw/zinc/58/93/96/624589396.db2.gz WWMUFJOWTDNGCV-ZIAGYGMSSA-N 0 3 324.396 3.345 20 30 DGEDHN Cc1cncc([C@@H]2CCCN2CCOc2ccccc2C#N)c1 ZINC000879748131 624663301 /nfs/dbraw/zinc/66/33/01/624663301.db2.gz ZSBWAYMBPWHDRD-SFHVURJKSA-N 0 3 307.397 3.478 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785481675 624675269 /nfs/dbraw/zinc/67/52/69/624675269.db2.gz NVQDRGHSRJTUGF-AWEZNQCLSA-N 0 3 308.422 3.223 20 30 DGEDHN COc1ccccc1[C@@H]1CSCCCN1CCO[C@H](C)C#N ZINC000880175610 624821219 /nfs/dbraw/zinc/82/12/19/624821219.db2.gz BKGGKBRIBIIDEQ-ZBFHGGJFSA-N 0 3 320.458 3.104 20 30 DGEDHN CCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535054 624913233 /nfs/dbraw/zinc/91/32/33/624913233.db2.gz OEYYKOHADBLWMZ-CQSZACIVSA-N 0 3 306.793 3.245 20 30 DGEDHN CC(C)[C@]1(C)C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787061853 624974887 /nfs/dbraw/zinc/97/48/87/624974887.db2.gz SHQLTASNVCNFRX-BXWFABGCSA-N 0 3 312.413 3.036 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065528 624975421 /nfs/dbraw/zinc/97/54/21/624975421.db2.gz HYNRURNZRRSPFP-PBHICJAKSA-N 0 3 314.429 3.426 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073862 624976563 /nfs/dbraw/zinc/97/65/63/624976563.db2.gz NXMXAGNLRJEJIE-DZKIICNBSA-N 0 3 300.402 3.036 20 30 DGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787079044 624976594 /nfs/dbraw/zinc/97/65/94/624976594.db2.gz ODWANGBKQOXZCG-IAGOWNOFSA-N 0 3 314.429 3.426 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000787074295 624976735 /nfs/dbraw/zinc/97/67/35/624976735.db2.gz QLKDSVPKGPNILC-JKSUJKDBSA-N 0 3 312.413 3.180 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000787775006 625048907 /nfs/dbraw/zinc/04/89/07/625048907.db2.gz JPIUBTFZLOYXEO-ILXRZTDVSA-N 0 3 309.454 3.256 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000787775009 625049235 /nfs/dbraw/zinc/04/92/35/625049235.db2.gz JPIUBTFZLOYXEO-RBSFLKMASA-N 0 3 309.454 3.256 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOC(F)(F)F)c([O-])c1 ZINC000788673454 625240409 /nfs/dbraw/zinc/24/04/09/625240409.db2.gz OYJTVTNSVGTIHY-VCHYOVAHSA-N 0 3 304.312 3.194 20 30 DGEDHN C#CCN(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000791646990 625839758 /nfs/dbraw/zinc/83/97/58/625839758.db2.gz FBIYVRFJGUXQAX-UHFFFAOYSA-N 0 3 302.418 3.037 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796621003 626066912 /nfs/dbraw/zinc/06/69/12/626066912.db2.gz YEGFTICHVYDSHM-QWRGUYRKSA-N 0 3 303.312 3.185 20 30 DGEDHN C=CCC[C@@H](NC[C@@H](O)COc1cccc(F)c1)c1ccco1 ZINC000796701957 626074536 /nfs/dbraw/zinc/07/45/36/626074536.db2.gz JTSXJMQNFVAQHW-NVXWUHKLSA-N 0 3 319.376 3.456 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC(F)F)cc1 ZINC000796793808 626083658 /nfs/dbraw/zinc/08/36/58/626083658.db2.gz VAZRFVWEUYWMSU-GWCFXTLKSA-N 0 3 324.327 3.087 20 30 DGEDHN CC(C)(C)OC(=O)Nc1ccc(CNCC2(CC#N)CC2)cn1 ZINC000797468029 626145284 /nfs/dbraw/zinc/14/52/84/626145284.db2.gz AIIRGUXOTGZKEY-UHFFFAOYSA-N 0 3 316.405 3.212 20 30 DGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000797548515 626151940 /nfs/dbraw/zinc/15/19/40/626151940.db2.gz GKDHYAHLNJCJMS-CYBMUJFWSA-N 0 3 316.744 3.457 20 30 DGEDHN CO[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000799371232 626296521 /nfs/dbraw/zinc/29/65/21/626296521.db2.gz HUMPATCZTILDAF-HOCLYGCPSA-N 0 3 308.809 3.290 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000800385739 626355098 /nfs/dbraw/zinc/35/50/98/626355098.db2.gz DTUIJCMTMOFDEM-DOMZBBRYSA-N 0 3 302.374 3.169 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000800385134 626355109 /nfs/dbraw/zinc/35/51/09/626355109.db2.gz SJXCDXUMUBYBBG-GXTWGEPZSA-N 0 3 320.339 3.468 20 30 DGEDHN Cc1ccc(CCCN2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC000801550542 626409562 /nfs/dbraw/zinc/40/95/62/626409562.db2.gz ASKMVWALURPLNZ-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(CCCC)Cc1ccccc1O ZINC000801599507 626411862 /nfs/dbraw/zinc/41/18/62/626411862.db2.gz QSMCBOBUDWSSKK-UHFFFAOYSA-N 0 3 318.461 3.419 20 30 DGEDHN C[C@H](C#N)OCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000801919705 626425770 /nfs/dbraw/zinc/42/57/70/626425770.db2.gz IGEIBZZRQBGFRK-CXAGYDPISA-N 0 3 322.836 3.014 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000883275628 626633027 /nfs/dbraw/zinc/63/30/27/626633027.db2.gz WVGNWPZVXZAXQQ-TUKIKUTGSA-N 0 3 323.234 3.154 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000804456160 626682341 /nfs/dbraw/zinc/68/23/41/626682341.db2.gz TYJKKDKEGQUWMO-HXUWFJFHSA-N 0 3 320.436 3.113 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)C(C)C ZINC000807440490 626756621 /nfs/dbraw/zinc/75/66/21/626756621.db2.gz RECNYVZCXLXFMP-HUUCEWRRSA-N 0 3 307.438 3.315 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@@H]1CCSC1 ZINC000808002288 626785402 /nfs/dbraw/zinc/78/54/02/626785402.db2.gz YSGLTAUNRUBTID-CTAHMLHZSA-N 0 3 301.459 3.379 20 30 DGEDHN CCCCC[C@@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884417534 626878198 /nfs/dbraw/zinc/87/81/98/626878198.db2.gz KIQJXIOASRHUKV-VZDIDWBNSA-N 0 3 317.477 3.087 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000809584844 626923485 /nfs/dbraw/zinc/92/34/85/626923485.db2.gz DHJNADGUVDXNTC-KRWDZBQOSA-N 0 3 314.429 3.157 20 30 DGEDHN C#Cc1ccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000809609156 626925722 /nfs/dbraw/zinc/92/57/22/626925722.db2.gz FGVLVIHFPZZUSV-OAHLLOKOSA-N 0 3 320.392 3.475 20 30 DGEDHN C#C[C@H](C)NCc1ccc(OC(F)F)c(Br)c1 ZINC000809683147 626935435 /nfs/dbraw/zinc/93/54/35/626935435.db2.gz RBJVDEILWMPBRV-QMMMGPOBSA-N 0 3 304.134 3.162 20 30 DGEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000809683954 626936111 /nfs/dbraw/zinc/93/61/11/626936111.db2.gz SPXUCJBHDUWWJK-OAHLLOKOSA-N 0 3 302.381 3.046 20 30 DGEDHN CC1(C)CN(CCCOc2ccc(C#N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000810023746 626969355 /nfs/dbraw/zinc/96/93/55/626969355.db2.gz IVIUEDWJMQZYOS-ROUUACIJSA-N 0 3 314.429 3.217 20 30 DGEDHN CN(CCCCC(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072656 626974079 /nfs/dbraw/zinc/97/40/79/626974079.db2.gz KEZPLLBSKLRDTG-UHFFFAOYSA-N 0 3 309.454 3.258 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000810169168 626983881 /nfs/dbraw/zinc/98/38/81/626983881.db2.gz TZIGFWRNTDAEPF-UHFFFAOYSA-N 0 3 320.392 3.259 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H](O)c1c(F)cccc1F)CC2 ZINC000810227039 626989898 /nfs/dbraw/zinc/98/98/98/626989898.db2.gz QKAVBIBZXLOAPN-SJORKVTESA-N 0 3 314.335 3.147 20 30 DGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@H](O)CC2(C#N)CCC2)s1 ZINC000886001543 627080203 /nfs/dbraw/zinc/08/02/03/627080203.db2.gz CFYLYCXTSOJMLW-GXTWGEPZSA-N 0 3 307.463 3.198 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)C1CCN(C)CC1 ZINC000886575860 627166617 /nfs/dbraw/zinc/16/66/17/627166617.db2.gz NCYMBPKRVWKHQZ-YTQUADARSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)c2ccccc12)C1CCN(C)CC1 ZINC000886574390 627166635 /nfs/dbraw/zinc/16/66/35/627166635.db2.gz DDBSHVMSSWOGCQ-UHFFFAOYSA-N 0 3 320.436 3.318 20 30 DGEDHN C#CCN(C(=O)c1csc2ccccc21)C1CCN(C)CC1 ZINC000886584963 627167815 /nfs/dbraw/zinc/16/78/15/627167815.db2.gz AIWBAETVUXNGKI-UHFFFAOYSA-N 0 3 312.438 3.071 20 30 DGEDHN C[C@@H](NC[C@@H](O)Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000886675103 627186869 /nfs/dbraw/zinc/18/68/69/627186869.db2.gz XAACKEDKULAEDV-DOMZBBRYSA-N 0 3 316.351 3.091 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc3ccccc3c(OC)c2)CC1 ZINC000887080479 627222395 /nfs/dbraw/zinc/22/23/95/627222395.db2.gz XJHAKGKJYDSKMK-UHFFFAOYSA-N 0 3 322.408 3.132 20 30 DGEDHN CSC1(CNc2cc(C#N)ccc2C(C)=O)CCN(C)CC1 ZINC000811853533 627330266 /nfs/dbraw/zinc/33/02/66/627330266.db2.gz DGKFNSZJWMTNIG-UHFFFAOYSA-N 0 3 317.458 3.000 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(CC)[C@H]1CCOC1 ZINC000812296985 627368440 /nfs/dbraw/zinc/36/84/40/627368440.db2.gz UBMXIVRHPVVKKP-AWEZNQCLSA-N 0 3 317.458 3.383 20 30 DGEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000813059514 627444216 /nfs/dbraw/zinc/44/42/16/627444216.db2.gz BBXTWDUJDRZSMF-JTQLQIEISA-N 0 3 324.167 3.335 20 30 DGEDHN COC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000813211337 627467532 /nfs/dbraw/zinc/46/75/32/627467532.db2.gz INIALBATLZSGHH-LLVKDONJSA-N 0 3 312.291 3.236 20 30 DGEDHN CC[C@@](C)(OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216042 627468348 /nfs/dbraw/zinc/46/83/48/627468348.db2.gz FHCMNJBNOTVEOQ-GXFFZTMASA-N 0 3 300.280 3.092 20 30 DGEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000814660756 627582120 /nfs/dbraw/zinc/58/21/20/627582120.db2.gz ZTOZUSFSOAOQHC-SFHVURJKSA-N 0 3 323.396 3.355 20 30 DGEDHN COc1cc(OC)c(OC)cc1CN[C@@H](C)CC(C)(C)C#N ZINC000924563079 627649767 /nfs/dbraw/zinc/64/97/67/627649767.db2.gz DWFDRCSPLLJEQR-LBPRGKRZSA-N 0 3 306.406 3.130 20 30 DGEDHN COc1ccc(CN[C@H](C)CC(C)(C)C#N)c(OC)c1OC ZINC000924710330 627671217 /nfs/dbraw/zinc/67/12/17/627671217.db2.gz JLJZISKTCKMOOI-GFCCVEGCSA-N 0 3 306.406 3.130 20 30 DGEDHN CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000925219095 627720102 /nfs/dbraw/zinc/72/01/02/627720102.db2.gz BOQONAMURTWDGF-ZOBUZTSGSA-N 0 3 301.434 3.177 20 30 DGEDHN C[C@@H]1[C@@H](OC(=O)CCCC#N)CCCN1Cc1ccccc1 ZINC000816471462 627794128 /nfs/dbraw/zinc/79/41/28/627794128.db2.gz FWINBIPQUGPQMS-WBVHZDCISA-N 0 3 300.402 3.277 20 30 DGEDHN C[C@@H]1[C@H](OC(=O)c2c[nH]c(C#N)c2)CCCN1Cc1ccccc1 ZINC000816471134 627794291 /nfs/dbraw/zinc/79/42/91/627794291.db2.gz XZRPOOMRGOZHEG-RDTXWAMCSA-N 0 3 323.396 3.096 20 30 DGEDHN C[C@H]1[C@@H](OC(=O)c2c[nH]c(C#N)c2)CCCN1Cc1ccccc1 ZINC000816471133 627794314 /nfs/dbraw/zinc/79/43/14/627794314.db2.gz XZRPOOMRGOZHEG-KSSFIOAISA-N 0 3 323.396 3.096 20 30 DGEDHN C[C@@H]1[C@H](OC(=O)CCCC#N)CCCN1Cc1ccccc1 ZINC000816471460 627794783 /nfs/dbraw/zinc/79/47/83/627794783.db2.gz FWINBIPQUGPQMS-NVXWUHKLSA-N 0 3 300.402 3.277 20 30 DGEDHN CC[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925854032 627806559 /nfs/dbraw/zinc/80/65/59/627806559.db2.gz KWSMGFUDWCPLOC-CABCVRRESA-N 0 3 311.351 3.283 20 30 DGEDHN Cc1cc(Br)c(O)c(CN(C)CC(C)(C)C#N)c1 ZINC000816632682 627817474 /nfs/dbraw/zinc/81/74/74/627817474.db2.gz UPJFJSGKFPRIHU-UHFFFAOYSA-N 0 3 311.223 3.445 20 30 DGEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)C1(Br)CC1 ZINC000925925526 627818573 /nfs/dbraw/zinc/81/85/73/627818573.db2.gz CAEZJOIVIUTNGJ-LLVKDONJSA-N 0 3 305.219 3.453 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](N[C@@H](C)CC(C)(C)C#N)C2=O)cc1 ZINC000926275516 627873086 /nfs/dbraw/zinc/87/30/86/627873086.db2.gz PGAAABHANBYQAI-DOTOQJQBSA-N 0 3 313.445 3.014 20 30 DGEDHN CC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(C#N)c1[O-] ZINC000926380592 627886900 /nfs/dbraw/zinc/88/69/00/627886900.db2.gz YUWUNMVDKZEQFW-QGZVFWFLSA-N 0 3 320.396 3.424 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCC2(C#N)CC2)CC(C)(C)C1 ZINC000926874293 627967571 /nfs/dbraw/zinc/96/75/71/627967571.db2.gz NTRNFTQETBCZHM-UONOGXRCSA-N 0 3 321.465 3.352 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000818048772 627990201 /nfs/dbraw/zinc/99/02/01/627990201.db2.gz MKBPMITUXDXQSC-ZDUSSCGKSA-N 0 3 321.471 3.125 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000818076964 627992257 /nfs/dbraw/zinc/99/22/57/627992257.db2.gz OPKWODAGKCJHOF-ROUUACIJSA-N 0 3 313.445 3.445 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927066330 628006511 /nfs/dbraw/zinc/00/65/11/628006511.db2.gz BHBWMZMXGVNDJN-BEFAXECRSA-N 0 3 311.429 3.480 20 30 DGEDHN CC(C)[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000927070148 628007627 /nfs/dbraw/zinc/00/76/27/628007627.db2.gz OFPIUNXDOPPTHV-KDOFPFPSSA-N 0 3 312.417 3.370 20 30 DGEDHN C[C@H](NCCNc1ccc(C#N)cn1)c1cc(F)c(F)c(F)c1 ZINC000927163125 628029749 /nfs/dbraw/zinc/02/97/49/628029749.db2.gz DCLJPTMHBFZYIY-JTQLQIEISA-N 0 3 320.318 3.133 20 30 DGEDHN CC(C)C[C@@H](NCCNc1ccc(C#N)cn1)c1ccccn1 ZINC000927163478 628030153 /nfs/dbraw/zinc/03/01/53/628030153.db2.gz JYDWLIFDLQWQIC-QGZVFWFLSA-N 0 3 309.417 3.137 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000818603354 628040651 /nfs/dbraw/zinc/04/06/51/628040651.db2.gz ZGWUMGAGJHZQOS-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(C#N)cc2)c2ccccc2O1 ZINC000819342521 628136985 /nfs/dbraw/zinc/13/69/85/628136985.db2.gz SYMZNZSCCBTKJZ-FSPWUOQZSA-N 0 3 308.381 3.094 20 30 DGEDHN CC1(c2cccc(CNCc3cccc(C#N)c3)c2)OCCO1 ZINC000821207776 628346323 /nfs/dbraw/zinc/34/63/23/628346323.db2.gz YESHGJTZSGQWBY-UHFFFAOYSA-N 0 3 308.381 3.068 20 30 DGEDHN CN1CCN(c2ccc(NC3CCC(C)(C#N)CC3)cc2)CC1 ZINC000823529122 628572944 /nfs/dbraw/zinc/57/29/44/628572944.db2.gz FFFQUEKSVXTSRL-UHFFFAOYSA-N 0 3 312.461 3.323 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823894712 628607982 /nfs/dbraw/zinc/60/79/82/628607982.db2.gz WJHNRILKQMYNDS-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823894712 628607983 /nfs/dbraw/zinc/60/79/83/628607983.db2.gz WJHNRILKQMYNDS-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823894358 628608136 /nfs/dbraw/zinc/60/81/36/628608136.db2.gz OBTOYAMDYFBMLO-NWDGAFQWSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823894358 628608137 /nfs/dbraw/zinc/60/81/37/628608137.db2.gz OBTOYAMDYFBMLO-NWDGAFQWSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823926039 628610155 /nfs/dbraw/zinc/61/01/55/628610155.db2.gz WWRDYJJZCFCTLV-CYBMUJFWSA-N 0 3 305.385 3.370 20 30 DGEDHN Cc1cc(C)cc(-n2ncc(CN[C@H]3CC[C@@H](CC#N)C3)n2)c1 ZINC000824683244 628683252 /nfs/dbraw/zinc/68/32/52/628683252.db2.gz BOLCAUZXVMAEKQ-HOTGVXAUSA-N 0 3 309.417 3.056 20 30 DGEDHN CN(C)CCN(C(=O)c1cc(C#N)ccc1F)C1CCCCC1 ZINC000827260280 628942595 /nfs/dbraw/zinc/94/25/95/628942595.db2.gz NDZHHRGIZTXNJC-UHFFFAOYSA-N 0 3 317.408 3.034 20 30 DGEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000835062913 629841917 /nfs/dbraw/zinc/84/19/17/629841917.db2.gz STHORCINDPBFNH-DOTOQJQBSA-N 0 3 324.380 3.302 20 30 DGEDHN C#CCN(C)CCCNC(=O)N(CC)[C@H](CC)c1ccccc1 ZINC000836488168 630121055 /nfs/dbraw/zinc/12/10/55/630121055.db2.gz MWPMLGJCDUBNCG-GOSISDBHSA-N 0 3 315.461 3.124 20 30 DGEDHN CN(C(=O)C#CC(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000837445792 630259034 /nfs/dbraw/zinc/25/90/34/630259034.db2.gz CVJRZAWZULOEGG-SFHVURJKSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000840953355 630383588 /nfs/dbraw/zinc/38/35/88/630383588.db2.gz LLUZXDKZQXQGJK-UHFFFAOYSA-N 0 3 321.424 3.258 20 30 DGEDHN c1ccc([C@H]2CC(=NN[C@@H]3CCSC3)CCN2C2CC2)cc1 ZINC000841638869 630450701 /nfs/dbraw/zinc/45/07/01/630450701.db2.gz ZLQHWPUBVYLCHP-SJLPKXTDSA-N 0 3 315.486 3.437 20 30 DGEDHN CCCN(CCC)c1ccc(C=NN2CCC[C@@H]2CO)cc1 ZINC000841661909 630452715 /nfs/dbraw/zinc/45/27/15/630452715.db2.gz LBFHNYMDUHJKPB-GOSISDBHSA-N 0 3 303.450 3.104 20 30 DGEDHN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842288908 630511440 /nfs/dbraw/zinc/51/14/40/630511440.db2.gz MLACNWAGNWJVGL-UONOGXRCSA-N 0 3 322.792 3.048 20 30 DGEDHN FC(F)(F)CNN=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842530042 630544899 /nfs/dbraw/zinc/54/48/99/630544899.db2.gz NPPPNFUOPNNSCZ-UHFFFAOYSA-N 0 3 311.351 3.323 20 30 DGEDHN C#CC[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000842628356 630554739 /nfs/dbraw/zinc/55/47/39/630554739.db2.gz BGKAGVDGQIMAGG-QGZVFWFLSA-N 0 3 304.397 3.115 20 30 DGEDHN C[C@@H]1CCCC[C@H]1OCCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369234 630721938 /nfs/dbraw/zinc/72/19/38/630721938.db2.gz XAXMBVFVHMRRTD-ATZDWAIDSA-N 0 3 316.445 3.119 20 30 DGEDHN OCCN1CCC(N=Nc2ccccc2Cc2ccccc2)CC1 ZINC000844617716 630743870 /nfs/dbraw/zinc/74/38/70/630743870.db2.gz ZWZPFSOAZAETPN-UHFFFAOYSA-N 0 3 323.440 3.133 20 30 DGEDHN CC#CCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875489 631200494 /nfs/dbraw/zinc/20/04/94/631200494.db2.gz LAPYRGHKFXTFIZ-WBMJQRKESA-N 0 3 307.321 3.269 20 30 DGEDHN COc1ccccc1/C=C\CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006303 631205591 /nfs/dbraw/zinc/20/55/91/631205591.db2.gz KGHBBWUVXAVLHW-FUKWUPMWSA-N 0 3 322.408 3.245 20 30 DGEDHN CCCOC(=O)CC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000106586474 631343094 /nfs/dbraw/zinc/34/30/94/631343094.db2.gz UGBBUOLGDAVWHT-QGOAFFKASA-N 0 3 306.406 3.001 20 30 DGEDHN C#C[C@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000847033768 631385912 /nfs/dbraw/zinc/38/59/12/631385912.db2.gz ZSPBZGAZUFJGQY-AWEZNQCLSA-N 0 3 307.393 3.127 20 30 DGEDHN C[C@@H](COC(=O)c1ccc(C#N)c(Cl)c1)N1CCCCC1 ZINC000847962871 631587342 /nfs/dbraw/zinc/58/73/42/631587342.db2.gz LDBHCBLIRUIHDL-LBPRGKRZSA-N 0 3 306.793 3.243 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000848407048 631655926 /nfs/dbraw/zinc/65/59/26/631655926.db2.gz KUDDDIPIUJQIDM-KRWDZBQOSA-N 0 3 314.433 3.027 20 30 DGEDHN Brc1cncc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848408243 631655983 /nfs/dbraw/zinc/65/59/83/631655983.db2.gz ZBJDFBGDHFPKTD-AWEZNQCLSA-N 0 3 323.238 3.260 20 30 DGEDHN COC(=O)c1ccc(N=NC2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000848412329 631656653 /nfs/dbraw/zinc/65/66/53/631656653.db2.gz NYYSSEFBTQITFN-INIZCTEOSA-N 0 3 319.380 3.029 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)Cc1ccccn1 ZINC000848567393 631695395 /nfs/dbraw/zinc/69/53/95/631695395.db2.gz UANKIKVHKKYBDI-CQSZACIVSA-N 0 3 314.816 3.468 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848784930 631748416 /nfs/dbraw/zinc/74/84/16/631748416.db2.gz HUJBWVBZTWRLII-WFASDCNBSA-N 0 3 324.350 3.401 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000848784929 631748457 /nfs/dbraw/zinc/74/84/57/631748457.db2.gz HUJBWVBZTWRLII-SWLSCSKDSA-N 0 3 324.350 3.401 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000848923602 631789551 /nfs/dbraw/zinc/78/95/51/631789551.db2.gz NZLLODACHMFELB-GOSISDBHSA-N 0 3 307.441 3.393 20 30 DGEDHN COc1ccc([C@@H](NCCO[C@H](C)C#N)c2ccccc2)cc1 ZINC000849318854 631889378 /nfs/dbraw/zinc/88/93/78/631889378.db2.gz YFZZBKNKJIKAAH-BEFAXECRSA-N 0 3 310.397 3.303 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850386124 632135225 /nfs/dbraw/zinc/13/52/25/632135225.db2.gz GIYJKPSAWAEENX-ORAYPTAESA-N 0 3 308.381 3.460 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cc1occc1C)c1ccccc1 ZINC000850977886 632275212 /nfs/dbraw/zinc/27/52/12/632275212.db2.gz GMNMGBSWFFTTNS-HZPDHXFCSA-N 0 3 324.380 3.107 20 30 DGEDHN C#CCOCCN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000851894862 632515810 /nfs/dbraw/zinc/51/58/10/632515810.db2.gz APQASOBLSAZYKM-SFHVURJKSA-N 0 3 313.372 3.185 20 30 DGEDHN C#C[C@](C)(CC)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000852099037 632553861 /nfs/dbraw/zinc/55/38/61/632553861.db2.gz BXUMOWZDJBUDOP-LJQANCHMSA-N 0 3 310.397 3.101 20 30 DGEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000852099800 632554677 /nfs/dbraw/zinc/55/46/77/632554677.db2.gz BACBKLNGJHVYHB-JKIFEVAISA-N 0 3 304.459 3.192 20 30 DGEDHN C#C[C@@](C)(CC)NCC[S@](=O)c1cc(Cl)ccc1Cl ZINC000852103123 632555494 /nfs/dbraw/zinc/55/54/94/632555494.db2.gz YBLMHHFPCYBASN-LIRRHRJNSA-N 0 3 318.269 3.493 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852319876 632586651 /nfs/dbraw/zinc/58/66/51/632586651.db2.gz SURZUXNFMWSOGX-IUODEOHRSA-N 0 3 312.335 3.364 20 30 DGEDHN N#CC[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000852320114 632586765 /nfs/dbraw/zinc/58/67/65/632586765.db2.gz WPBKYMZBPHERKE-INIZCTEOSA-N 0 3 311.429 3.048 20 30 DGEDHN C=CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@@H](C)COC ZINC000852356591 632594156 /nfs/dbraw/zinc/59/41/56/632594156.db2.gz IVHZPUJGUPHOPX-WFASDCNBSA-N 0 3 317.351 3.262 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)[C@@H](C)C1 ZINC000943483746 660189089 /nfs/dbraw/zinc/18/90/89/660189089.db2.gz ZKOVJEBDFQILGH-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000184844119 660191026 /nfs/dbraw/zinc/19/10/26/660191026.db2.gz WBGDWTFSMJSTCY-IBGZPJMESA-N 0 3 314.473 3.453 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC000943744335 660197774 /nfs/dbraw/zinc/19/77/74/660197774.db2.gz HIDHINRTQSQNFF-CRAIPNDOSA-N 0 3 312.457 3.058 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)[C@H](C)C1 ZINC000944318803 660219130 /nfs/dbraw/zinc/21/91/30/660219130.db2.gz RZMRBIFAJVXEDW-DGCLKSJQSA-N 0 3 324.877 3.173 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2C2CC2)[C@@H](C)C1 ZINC000944651209 660228444 /nfs/dbraw/zinc/22/84/44/660228444.db2.gz DZEGOFJXCLWGFT-WFASDCNBSA-N 0 3 304.459 3.252 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2csc3c2CCCC3)[C@H](C)C1 ZINC000944701455 660230407 /nfs/dbraw/zinc/23/04/07/660230407.db2.gz PFVBHYFIZGFHJE-CJNGLKHVSA-N 0 3 318.486 3.253 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000944703225 660230417 /nfs/dbraw/zinc/23/04/17/660230417.db2.gz VVFIVXOXAYEKBZ-ROUUACIJSA-N 0 3 312.457 3.075 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000944703226 660230678 /nfs/dbraw/zinc/23/06/78/660230678.db2.gz VVFIVXOXAYEKBZ-ZWKOTPCHSA-N 0 3 312.457 3.075 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](C)C1 ZINC000944788894 660232634 /nfs/dbraw/zinc/23/26/34/660232634.db2.gz HQFOERZECONMEW-BBRMVZONSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000945092262 660240573 /nfs/dbraw/zinc/24/05/73/660240573.db2.gz QCNCJEKDEJCITI-NVXWUHKLSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)[C@H](C)C1 ZINC000945332689 660249785 /nfs/dbraw/zinc/24/97/85/660249785.db2.gz FCCMROMXWGJJHA-WBVHZDCISA-N 0 3 324.424 3.205 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1 ZINC000996229762 660278043 /nfs/dbraw/zinc/27/80/43/660278043.db2.gz VNTHLGOJKYHEPO-VQIMIIECSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC000996871173 660296598 /nfs/dbraw/zinc/29/65/98/660296598.db2.gz WOMSBNLLWXPQTN-UHFFFAOYSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000997234819 660315871 /nfs/dbraw/zinc/31/58/71/660315871.db2.gz HHVWDBVMGJPUAK-OWYHZJEWSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccc(C)cc3F)C2)C1 ZINC001040418758 660316412 /nfs/dbraw/zinc/31/64/12/660316412.db2.gz QGNKZDDLEPIJOO-LJQANCHMSA-N 0 3 316.420 3.248 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCCC2 ZINC001032420263 660317822 /nfs/dbraw/zinc/31/78/22/660317822.db2.gz PDTTUBSDJIHBFP-IRXDYDNUSA-N 0 3 310.441 3.040 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000997309922 660318952 /nfs/dbraw/zinc/31/89/52/660318952.db2.gz XJZXVFJAJICTPB-CQSZACIVSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000997398499 660323636 /nfs/dbraw/zinc/32/36/36/660323636.db2.gz ARTRLNFPUDJTPR-MRXNPFEDSA-N 0 3 312.457 3.274 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C)cc(C)c2)CC1 ZINC000997401422 660323950 /nfs/dbraw/zinc/32/39/50/660323950.db2.gz DWWRYRXQKWYLNE-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c(C)oc(C)c2C)CC1 ZINC000997665359 660337850 /nfs/dbraw/zinc/33/78/50/660337850.db2.gz FBYJGVXJFAYIAE-AWEZNQCLSA-N 0 3 316.445 3.058 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2sc(C)cc2C)CC1 ZINC000997603817 660335049 /nfs/dbraw/zinc/33/50/49/660335049.db2.gz FOYHXUXDJDCEQV-HNNXBMFYSA-N 0 3 318.486 3.219 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2sccc2Cl)CC1 ZINC000997603155 660335145 /nfs/dbraw/zinc/33/51/45/660335145.db2.gz DQCKRXMDIRSGPX-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2coc(C(F)F)c2)CC1 ZINC000997730400 660340900 /nfs/dbraw/zinc/34/09/00/660340900.db2.gz YSKRACLXZMZUNI-LBPRGKRZSA-N 0 3 324.371 3.071 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(Cl)cc2C)CC1 ZINC000997736557 660341390 /nfs/dbraw/zinc/34/13/90/660341390.db2.gz RZRNNXZPQKZWPI-AWEZNQCLSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000997773198 660343965 /nfs/dbraw/zinc/34/39/65/660343965.db2.gz UJSYBSMJPHGCSV-SZMVWBNQSA-N 0 3 316.489 3.053 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)cc1 ZINC001032555614 660345815 /nfs/dbraw/zinc/34/58/15/660345815.db2.gz VONWETORZTZKHR-PMACEKPBSA-N 0 3 322.452 3.147 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cccs1 ZINC001032555982 660346161 /nfs/dbraw/zinc/34/61/61/660346161.db2.gz KUIAZGCHCBOQAL-GJZGRUSLSA-N 0 3 318.486 3.277 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000997879206 660348502 /nfs/dbraw/zinc/34/85/02/660348502.db2.gz LFEWXWRJDDVJDT-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000997960435 660360261 /nfs/dbraw/zinc/36/02/61/660360261.db2.gz LPXWKWWJZBLAPQ-MRXNPFEDSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cscc2C)CC1 ZINC000997962847 660360266 /nfs/dbraw/zinc/36/02/66/660360266.db2.gz WTXITADSNYAALB-OAHLLOKOSA-N 0 3 304.459 3.006 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2CCCCC2)CC1 ZINC000997930775 660357223 /nfs/dbraw/zinc/35/72/23/660357223.db2.gz XHLYTVZXZGSIFY-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2sccc2F)CC1 ZINC000997999743 660362999 /nfs/dbraw/zinc/36/29/99/660362999.db2.gz LXLUAZABNXCMIX-AWEZNQCLSA-N 0 3 322.449 3.227 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2c(C)coc2C)CC1 ZINC000998003606 660363192 /nfs/dbraw/zinc/36/31/92/660363192.db2.gz HTENFHZACLWWCV-KRWDZBQOSA-N 0 3 316.445 3.236 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2sccc2Cl)CC1 ZINC000998005448 660363254 /nfs/dbraw/zinc/36/32/54/660363254.db2.gz ASGDCAXZBQLOSG-CYBMUJFWSA-N 0 3 324.877 3.351 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC3CCCC3)CC[C@@H]2C1 ZINC000946464016 660368398 /nfs/dbraw/zinc/36/83/98/660368398.db2.gz ZTWKTZOJRBTXLT-CALCHBBNSA-N 0 3 324.896 3.490 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC(CNCc2nccs2)CC1 ZINC000998048108 660366077 /nfs/dbraw/zinc/36/60/77/660366077.db2.gz ZZMRPXPYESWSNF-QGZVFWFLSA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)cc(F)c2)CC1 ZINC000998124256 660371385 /nfs/dbraw/zinc/37/13/85/660371385.db2.gz DMHPDFUTULMJSX-SFHVURJKSA-N 0 3 316.420 3.084 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2oc(CC)cc2C)CC1 ZINC000998175778 660374351 /nfs/dbraw/zinc/37/43/51/660374351.db2.gz WJJYYRUEKSNZMZ-MRXNPFEDSA-N 0 3 316.445 3.100 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3occc3C)CC[C@@H]2C1 ZINC000946480559 660375050 /nfs/dbraw/zinc/37/50/50/660375050.db2.gz ZPXBYGRWDFUQMV-GASCZTMLSA-N 0 3 322.836 3.125 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccoc2C2CC2)CC1 ZINC000998107445 660370506 /nfs/dbraw/zinc/37/05/06/660370506.db2.gz XAGUFVQBLFWIPJ-MRXNPFEDSA-N 0 3 314.429 3.107 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000998112238 660370636 /nfs/dbraw/zinc/37/06/36/660370636.db2.gz SRLMWPJPUQAXKV-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998230508 660377272 /nfs/dbraw/zinc/37/72/72/660377272.db2.gz GCANACMXUJYWKQ-KBPBESRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032613896 660378819 /nfs/dbraw/zinc/37/88/19/660378819.db2.gz AOTVTAOXSUSOHE-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)C2(C)CCC2)CC[C@H]1C(F)(F)F ZINC000998278356 660380665 /nfs/dbraw/zinc/38/06/65/660380665.db2.gz SQIWASBPHUYDJI-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN CC(C)(C)CC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998524594 660392234 /nfs/dbraw/zinc/39/22/34/660392234.db2.gz GSQJAJJQKXDRTH-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN CCC(CC)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000998582224 660394717 /nfs/dbraw/zinc/39/47/17/660394717.db2.gz ZGLYNYDWDQTMSM-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032639945 660397689 /nfs/dbraw/zinc/39/76/89/660397689.db2.gz XLJPQGWBXJLSPR-HOTGVXAUSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccccc1C ZINC001032662511 660407792 /nfs/dbraw/zinc/40/77/92/660407792.db2.gz QLNOZORHRKEBMK-SQNIBIBYSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC000999459005 660418800 /nfs/dbraw/zinc/41/88/00/660418800.db2.gz ZHODMDKIUBGDGW-UHFFFAOYSA-N 0 3 310.800 3.079 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2sccc2CC)C1 ZINC000999871670 660429983 /nfs/dbraw/zinc/42/99/83/660429983.db2.gz XUSVPBMZSJTPNN-UHFFFAOYSA-N 0 3 312.866 3.256 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(F)F)c1 ZINC001032743394 660436821 /nfs/dbraw/zinc/43/68/21/660436821.db2.gz MLXJOSCXNBMKBT-HOTGVXAUSA-N 0 3 320.383 3.489 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1Cl ZINC001032746759 660438045 /nfs/dbraw/zinc/43/80/45/660438045.db2.gz DWCCVEFKTUVVHQ-KBPBESRZSA-N 0 3 304.821 3.205 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1Cl ZINC001032768339 660441787 /nfs/dbraw/zinc/44/17/87/660441787.db2.gz GBFWIWZAOURJBO-HOTGVXAUSA-N 0 3 318.848 3.134 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3c(cccc3F)s2)C1 ZINC001016211435 660447346 /nfs/dbraw/zinc/44/73/46/660447346.db2.gz APBGZAFAHRTYJS-LBPRGKRZSA-N 0 3 318.417 3.421 20 30 DGEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C)c1ccccc1 ZINC001032797437 660450079 /nfs/dbraw/zinc/45/00/79/660450079.db2.gz SXGYKIYZBBNBRW-GBESFXJTSA-N 0 3 312.457 3.287 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cc3cscc3s2)CC1 ZINC001001642894 660455794 /nfs/dbraw/zinc/45/57/94/660455794.db2.gz WMGSMSQVDZYSKL-UHFFFAOYSA-N 0 3 318.467 3.038 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC001001680446 660456178 /nfs/dbraw/zinc/45/61/78/660456178.db2.gz LSWYKMATGFUNKQ-RBUKOAKNSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCC1(C)C ZINC001032821613 660458358 /nfs/dbraw/zinc/45/83/58/660458358.db2.gz SIYBYTIATJRGGQ-IKGGRYGDSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(C)CCC(C)CC3)C2)C1 ZINC001040544870 660473314 /nfs/dbraw/zinc/47/33/14/660473314.db2.gz LPPOQHCAJXHBFF-LYBXBRPPSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)csc2Cl)CC1 ZINC001004049307 660527111 /nfs/dbraw/zinc/52/71/11/660527111.db2.gz COQCYMLZERHNSM-UHFFFAOYSA-N 0 3 312.866 3.480 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033089225 660537570 /nfs/dbraw/zinc/53/75/70/660537570.db2.gz YUVKJVDRGJWHBB-OTWHNJEPSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(F)c3ccccc3c2)C1 ZINC001033134297 660554054 /nfs/dbraw/zinc/55/40/54/660554054.db2.gz UXDSYEFYLWYPGZ-KRWDZBQOSA-N 0 3 324.399 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001033195585 660583973 /nfs/dbraw/zinc/58/39/73/660583973.db2.gz VPSMTYHHNACGNC-PKOBYXMFSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001033312186 660606744 /nfs/dbraw/zinc/60/67/44/660606744.db2.gz NDYGCWVVICICBI-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033417690 660619688 /nfs/dbraw/zinc/61/96/88/660619688.db2.gz XHXPEHKXGLPYRD-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)nc2C)C1 ZINC001033428613 660621200 /nfs/dbraw/zinc/62/12/00/660621200.db2.gz ZHKONXRKDAQSKI-INIZCTEOSA-N 0 3 315.461 3.236 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033464965 660625370 /nfs/dbraw/zinc/62/53/70/660625370.db2.gz DMPZGOAUZILISB-WMZOPIPTSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033483021 660626378 /nfs/dbraw/zinc/62/63/78/660626378.db2.gz DFESLGYIMTWYJR-LBPRGKRZSA-N 0 3 312.866 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001033518343 660630149 /nfs/dbraw/zinc/63/01/49/660630149.db2.gz CWSVWWVIYGCRBU-SFHVURJKSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033582837 660633883 /nfs/dbraw/zinc/63/38/83/660633883.db2.gz LKYGCJLCODLMOS-HUUCEWRRSA-N 0 3 306.475 3.269 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033586299 660634733 /nfs/dbraw/zinc/63/47/33/660634733.db2.gz USAIDXXWYAHVPO-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001033589098 660635163 /nfs/dbraw/zinc/63/51/63/660635163.db2.gz AUFHFYAGXOKDHL-GOSISDBHSA-N 0 3 314.473 3.381 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001033601061 660637160 /nfs/dbraw/zinc/63/71/60/660637160.db2.gz IPUWGENQTQKZRP-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc3ccccc32)C1 ZINC001033609481 660639024 /nfs/dbraw/zinc/63/90/24/660639024.db2.gz KAYDAUKMHCNKAC-LJQANCHMSA-N 0 3 322.452 3.491 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2C2CCC2)C1 ZINC001033625223 660641354 /nfs/dbraw/zinc/64/13/54/660641354.db2.gz UIYUKDXWSRHQEV-QGZVFWFLSA-N 0 3 310.441 3.124 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCCC3)C1 ZINC001033641014 660644752 /nfs/dbraw/zinc/64/47/52/660644752.db2.gz ZHROZGZOLJPJAC-OAHLLOKOSA-N 0 3 318.486 3.349 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698262 660651600 /nfs/dbraw/zinc/65/16/00/660651600.db2.gz PDKQMNKSUNLBJY-IEBWSBKVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc3scnc32)CC1 ZINC001005383536 660666281 /nfs/dbraw/zinc/66/62/81/660666281.db2.gz IPVWTTICIZLTLC-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033885245 660675516 /nfs/dbraw/zinc/67/55/16/660675516.db2.gz PIDWSKLJRJUQSZ-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033906432 660677977 /nfs/dbraw/zinc/67/79/77/660677977.db2.gz JKNYKEZKYWOLQT-XWTMOSNGSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(F)c2Cl)C1 ZINC001033974467 660687927 /nfs/dbraw/zinc/68/79/27/660687927.db2.gz HVGNYLNXUQUCRZ-ZDUSSCGKSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001034026030 660695644 /nfs/dbraw/zinc/69/56/44/660695644.db2.gz SQULCFMFRHNJMR-LJQANCHMSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034033163 660697149 /nfs/dbraw/zinc/69/71/49/660697149.db2.gz CDVCYTQYJXFSNN-SFHVURJKSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001034204892 660722501 /nfs/dbraw/zinc/72/25/01/660722501.db2.gz UCQCJURLNPZYKH-AWEZNQCLSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001034208736 660723695 /nfs/dbraw/zinc/72/36/95/660723695.db2.gz FFWZIQMBOWVKIG-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001034274359 660731192 /nfs/dbraw/zinc/73/11/92/660731192.db2.gz CDRBUNOHNBRSPS-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228602 660725678 /nfs/dbraw/zinc/72/56/78/660725678.db2.gz GKQILCNLCQPVHN-HZPDHXFCSA-N 0 3 318.465 3.015 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001034267525 660730336 /nfs/dbraw/zinc/73/03/36/660730336.db2.gz WKLIBIFWYIHALX-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001034267379 660730386 /nfs/dbraw/zinc/73/03/86/660730386.db2.gz GOYPNDUWVCLEIQ-LBPRGKRZSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001034268990 660730763 /nfs/dbraw/zinc/73/07/63/660730763.db2.gz PUZWLZMOLXPEJO-PKOBYXMFSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001034282340 660732207 /nfs/dbraw/zinc/73/22/07/660732207.db2.gz OHRAYDBNVDYXMW-CQSZACIVSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001034301908 660734032 /nfs/dbraw/zinc/73/40/32/660734032.db2.gz VLLLKPXHROVZSC-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001034303706 660735057 /nfs/dbraw/zinc/73/50/57/660735057.db2.gz MHOQBKSCECXWDQ-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001034336491 660738503 /nfs/dbraw/zinc/73/85/03/660738503.db2.gz IGPPNNQPAGGGRB-OAHLLOKOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001034325863 660739511 /nfs/dbraw/zinc/73/95/11/660739511.db2.gz FENAACSRJZXMHI-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001034371526 660742501 /nfs/dbraw/zinc/74/25/01/660742501.db2.gz GNCAYRVNAGEIOQ-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001034359857 660743284 /nfs/dbraw/zinc/74/32/84/660743284.db2.gz JWLOBQUYAFWUEA-HNNXBMFYSA-N 0 3 303.450 3.299 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001034399727 660747373 /nfs/dbraw/zinc/74/73/73/660747373.db2.gz UNYYHENCHMIEFC-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001034423040 660747844 /nfs/dbraw/zinc/74/78/44/660747844.db2.gz GAYNYXIEUGSJOO-ULQDDVLXSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001034403941 660748094 /nfs/dbraw/zinc/74/80/94/660748094.db2.gz FBARWSFRTGRQGL-MRXNPFEDSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001034428757 660749638 /nfs/dbraw/zinc/74/96/38/660749638.db2.gz OBERHTGYTUDDGX-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001034432588 660753490 /nfs/dbraw/zinc/75/34/90/660753490.db2.gz QVEZOJZTECWFJO-WUJZJPHMSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001034468699 660755481 /nfs/dbraw/zinc/75/54/81/660755481.db2.gz PVEYGTCZKVYIOJ-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001034452778 660755886 /nfs/dbraw/zinc/75/58/86/660755886.db2.gz HBHKXFFZCMKWDI-OAHLLOKOSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001034457470 660756441 /nfs/dbraw/zinc/75/64/41/660756441.db2.gz DLWDVROWYFASJE-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001034477508 660757057 /nfs/dbraw/zinc/75/70/57/660757057.db2.gz QJADIKDLKKMQRV-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001034487172 660761676 /nfs/dbraw/zinc/76/16/76/660761676.db2.gz MGHNLSGFWAWKDR-KRWDZBQOSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001034519667 660768250 /nfs/dbraw/zinc/76/82/50/660768250.db2.gz KUOUYVLHMFXHBW-LJQANCHMSA-N 0 3 312.457 3.336 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1C=CCCC1)CC2 ZINC001035729965 660847653 /nfs/dbraw/zinc/84/76/53/660847653.db2.gz KXFXKIWQYSRQCA-QGZVFWFLSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@H](C)C1)CC2 ZINC001035771230 660850628 /nfs/dbraw/zinc/85/06/28/660850628.db2.gz SIVCHWZWLOBBKJ-IRXDYDNUSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](C)C1)CC2 ZINC001035779376 660850993 /nfs/dbraw/zinc/85/09/93/660850993.db2.gz MXYBHZFTLKCASS-DLBZAZTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCc1cccs1)CC2 ZINC001035848803 660856232 /nfs/dbraw/zinc/85/62/32/660856232.db2.gz JZQJLDNPYWWFRF-UHFFFAOYSA-N 0 3 318.486 3.181 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cscn2)[C@@H](C)C1 ZINC001036141752 660877646 /nfs/dbraw/zinc/87/76/46/660877646.db2.gz ILHAALIDPHHPLK-DZGCQCFKSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc[nH]c2C2CC2)CC1 ZINC001005891809 660947152 /nfs/dbraw/zinc/94/71/52/660947152.db2.gz HEPBRRDZPONRFG-UHFFFAOYSA-N 0 3 301.434 3.005 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)C[C@@H]1C ZINC000947968194 660947661 /nfs/dbraw/zinc/94/76/61/660947661.db2.gz VBJCABSSSAMIBT-JXFKEZNVSA-N 0 3 320.436 3.446 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1C ZINC000947968197 660947667 /nfs/dbraw/zinc/94/76/67/660947667.db2.gz VBJCABSSSAMIBT-UZLBHIALSA-N 0 3 320.436 3.446 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)C[C@H]1C ZINC000947974950 660957846 /nfs/dbraw/zinc/95/78/46/660957846.db2.gz JELXSMJBBCLBQF-SJLPKXTDSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC001006036748 660958315 /nfs/dbraw/zinc/95/83/15/660958315.db2.gz BFPCDVNZTWEVAQ-IRXDYDNUSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)c(OCC)c2)CC1 ZINC001006081816 660962294 /nfs/dbraw/zinc/96/22/94/660962294.db2.gz HOSXTKKHNJEOKO-UHFFFAOYSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793386322 661029117 /nfs/dbraw/zinc/02/91/17/661029117.db2.gz LOUNBPDOFMRBGC-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000794822204 661107348 /nfs/dbraw/zinc/10/73/48/661107348.db2.gz AOONKMPIAVWWQZ-RYUDHWBXSA-N 0 3 321.396 3.261 20 30 DGEDHN COCCN(C)N=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794962962 661117215 /nfs/dbraw/zinc/11/72/15/661117215.db2.gz DRUDHBRTBDJOPL-UHFFFAOYSA-N 0 3 323.440 3.161 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000969111825 655523517 /nfs/dbraw/zinc/52/35/17/655523517.db2.gz UKWYWICYBRCLCE-HNNXBMFYSA-N 0 3 304.434 3.311 20 30 DGEDHN N#CC(C(=O)CCC1CCCCC1)C(=O)NCc1ccccc1 ZINC000049486381 655524530 /nfs/dbraw/zinc/52/45/30/655524530.db2.gz GSUHCCYASHNYAX-KRWDZBQOSA-N 0 3 312.413 3.372 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000969126620 655526046 /nfs/dbraw/zinc/52/60/46/655526046.db2.gz HNNOZVPNQZYQIU-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000969124541 655526126 /nfs/dbraw/zinc/52/61/26/655526126.db2.gz PGWRNJXTWMXTLO-KRWDZBQOSA-N 0 3 318.848 3.338 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000969126793 655526286 /nfs/dbraw/zinc/52/62/86/655526286.db2.gz MSGMAZHZVVLSTC-IBGZPJMESA-N 0 3 312.457 3.301 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC000969137143 655527586 /nfs/dbraw/zinc/52/75/86/655527586.db2.gz UNFANZZHLUOZSX-CQSZACIVSA-N 0 3 308.372 3.125 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC000969144665 655528180 /nfs/dbraw/zinc/52/81/80/655528180.db2.gz QQPKOGLLKKTRPI-QGZVFWFLSA-N 0 3 315.461 3.067 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC000969151443 655528375 /nfs/dbraw/zinc/52/83/75/655528375.db2.gz ZVPNWJCGWWZXHN-SFHVURJKSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000969156522 655529403 /nfs/dbraw/zinc/52/94/03/655529403.db2.gz VPMAOANTHIUBFB-BTRQGYIVSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C[C@H]1C ZINC000947369275 655530564 /nfs/dbraw/zinc/53/05/64/655530564.db2.gz JGLOSHJLHRAZOX-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C[C@@H]1C ZINC000947369278 655530725 /nfs/dbraw/zinc/53/07/25/655530725.db2.gz JGLOSHJLHRAZOX-KXBFYZLASA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001020427684 655533445 /nfs/dbraw/zinc/53/34/45/655533445.db2.gz SQHZHYQRHPJVLN-QAQDUYKDSA-N 0 3 318.848 3.096 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3cccc(F)c3F)C2)C1 ZINC001020562949 655553541 /nfs/dbraw/zinc/55/35/41/655553541.db2.gz WZNGBWSWALACLQ-HDJSIYSDSA-N 0 3 320.383 3.058 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)C1 ZINC001020562901 655553587 /nfs/dbraw/zinc/55/35/87/655553587.db2.gz VFIGRFBOCSMEPR-SHTZXODSSA-N 0 3 318.848 3.433 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3cc(F)ccc3F)C2)C1 ZINC001020562735 655553669 /nfs/dbraw/zinc/55/36/69/655553669.db2.gz MRFSRAPLLYBHIP-SHTZXODSSA-N 0 3 320.383 3.058 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2coc3ccc(CC)cc23)C1 ZINC000969679350 655554881 /nfs/dbraw/zinc/55/48/81/655554881.db2.gz FVZYIEJJSRWSEM-AWEZNQCLSA-N 0 3 324.424 3.069 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)oc3ccccc32)C1 ZINC000969733482 655556274 /nfs/dbraw/zinc/55/62/74/655556274.db2.gz KHMCQOMLUNRWNF-CYBMUJFWSA-N 0 3 312.413 3.367 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001041535226 655556353 /nfs/dbraw/zinc/55/63/53/655556353.db2.gz DNIOJOANXCPSQP-QAPCUYQASA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000969957952 655565172 /nfs/dbraw/zinc/56/51/72/655565172.db2.gz HNYXVOALYBMUOO-BHIYHBOVSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC000970115043 655576684 /nfs/dbraw/zinc/57/66/84/655576684.db2.gz BHGQPFMFKNDJKS-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC000970161898 655582935 /nfs/dbraw/zinc/58/29/35/655582935.db2.gz SZFGSAHXVZUQMH-QZTJIDSGSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651914 655585235 /nfs/dbraw/zinc/58/52/35/655585235.db2.gz NQMAJRZFSOJUSA-BEFAXECRSA-N 0 3 323.440 3.251 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2sccc2CC)C1 ZINC000968683055 655585276 /nfs/dbraw/zinc/58/52/76/655585276.db2.gz XSXFPAORRIVMQV-DZGCQCFKSA-N 0 3 306.475 3.327 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000970270546 655591388 /nfs/dbraw/zinc/59/13/88/655591388.db2.gz HVCPYQZBZAUJBZ-AWEZNQCLSA-N 0 3 318.848 3.030 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000970567047 655606682 /nfs/dbraw/zinc/60/66/82/655606682.db2.gz NSLLCBHRJUMQSR-AYOQOUSVSA-N 0 3 312.457 3.111 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)(C)C3CCCCC3)C2)C1 ZINC001041730441 655614077 /nfs/dbraw/zinc/61/40/77/655614077.db2.gz OXJBZTVREJXLTR-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC000970775841 655618974 /nfs/dbraw/zinc/61/89/74/655618974.db2.gz WLKOCWAAKPTISV-LBPRGKRZSA-N 0 3 308.372 3.250 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C[C@@H]1C ZINC000947411125 655631884 /nfs/dbraw/zinc/63/18/84/655631884.db2.gz DLNWILRCANEXKC-NWDGAFQWSA-N 0 3 312.360 3.294 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2csc(C)c2)C1 ZINC001039230808 655634402 /nfs/dbraw/zinc/63/44/02/655634402.db2.gz MQOIEFMGYUUNFU-RDJZCZTQSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C)cs2)C1 ZINC001021577636 655635701 /nfs/dbraw/zinc/63/57/01/655635701.db2.gz HYZWCFJFEYXPGL-JKSUJKDBSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC000970939079 655639836 /nfs/dbraw/zinc/63/98/36/655639836.db2.gz UGWFOAZDZJVWSF-HNNXBMFYSA-N 0 3 312.457 3.110 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2CC(C)(C)C2)C1 ZINC001021656799 655650670 /nfs/dbraw/zinc/65/06/70/655650670.db2.gz XKEAEJOYNYVAQJ-MSOLQXFVSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C[C@H]1C ZINC000947438715 655673824 /nfs/dbraw/zinc/67/38/24/655673824.db2.gz ZEGMMYBLCVVHSW-CHWSQXEVSA-N 0 3 308.372 3.042 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001039379594 655693480 /nfs/dbraw/zinc/69/34/80/655693480.db2.gz YMGPFRWUXXXIHO-QRVBRYPASA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CCC1 ZINC000933301570 655698419 /nfs/dbraw/zinc/69/84/19/655698419.db2.gz QDPRAASSCBTCPL-KRWDZBQOSA-N 0 3 323.440 3.166 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC000971687980 655721323 /nfs/dbraw/zinc/72/13/23/655721323.db2.gz RRMHELGSGBBQMN-QGZVFWFLSA-N 0 3 318.436 3.212 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(CC(C)C)s2)C1 ZINC000971693545 655721703 /nfs/dbraw/zinc/72/17/03/655721703.db2.gz RGYYEJZDUKBSAN-CQSZACIVSA-N 0 3 306.475 3.279 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000971715432 655722485 /nfs/dbraw/zinc/72/24/85/655722485.db2.gz HJSZQHJZCHDCGD-BZSNNMDCSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2-c2ccncc2)C1 ZINC000971786449 655726095 /nfs/dbraw/zinc/72/60/95/655726095.db2.gz HCIYSEVNWKXRBE-QGZVFWFLSA-N 0 3 321.424 3.081 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933643715 655728501 /nfs/dbraw/zinc/72/85/01/655728501.db2.gz CYIJSADYWXNFTG-UHFFFAOYSA-N 0 3 310.397 3.013 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001022528710 655747492 /nfs/dbraw/zinc/74/74/92/655747492.db2.gz 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655798971 /nfs/dbraw/zinc/79/89/71/655798971.db2.gz KPWFQNWYDRKYLG-INIZCTEOSA-N 0 3 320.864 3.336 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC000972447666 655799931 /nfs/dbraw/zinc/79/99/31/655799931.db2.gz UBPVGZBLHQDINA-HOTGVXAUSA-N 0 3 316.445 3.196 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001023025630 655809858 /nfs/dbraw/zinc/80/98/58/655809858.db2.gz OFPWXOQNJIFGOE-GASCZTMLSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(-c3ccco3)o2)C[C@H]1C ZINC000947535851 655810282 /nfs/dbraw/zinc/81/02/82/655810282.db2.gz BCHHRCSKAVONPF-KGLIPLIRSA-N 0 3 314.385 3.308 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001023068141 655811877 /nfs/dbraw/zinc/81/18/77/655811877.db2.gz YFOPXJYEBNYNEY-BETUJISGSA-N 0 3 312.866 3.222 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001023140220 655814532 /nfs/dbraw/zinc/81/45/32/655814532.db2.gz XJDQHAGFWISUMI-OKILXGFUSA-N 0 3 318.848 3.087 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001023390134 655830957 /nfs/dbraw/zinc/83/09/57/655830957.db2.gz DAYUIQBGVFZWPF-ZDUSSCGKSA-N 0 3 324.877 3.175 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001023481476 655836672 /nfs/dbraw/zinc/83/66/72/655836672.db2.gz GIGJKJMVZITWHT-HNNXBMFYSA-N 0 3 324.399 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001023529068 655840117 /nfs/dbraw/zinc/84/01/17/655840117.db2.gz WDCNTAKRFHSODP-OAHLLOKOSA-N 0 3 318.848 3.032 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H]2CCCN(C[C@@H](F)CC)C2)CC1 ZINC001023572617 655844235 /nfs/dbraw/zinc/84/42/35/655844235.db2.gz JAIKBZKEFQBLJQ-WBVHZDCISA-N 0 3 310.457 3.309 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001023700852 655855360 /nfs/dbraw/zinc/85/53/60/655855360.db2.gz GANWJOGLUQXNNR-KRWDZBQOSA-N 0 3 322.452 3.111 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001023760050 655862416 /nfs/dbraw/zinc/86/24/16/655862416.db2.gz QAKDSEMYPOEKBN-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2sccc2C(C)C)C1 ZINC001023763468 655862589 /nfs/dbraw/zinc/86/25/89/655862589.db2.gz OELOLSNJCQWNPL-OAHLLOKOSA-N 0 3 318.486 3.337 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000972698861 655868632 /nfs/dbraw/zinc/86/86/32/655868632.db2.gz ZYEYVNRQZQMPJX-GOEBONIOSA-N 0 3 312.413 3.255 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC000972739758 655876142 /nfs/dbraw/zinc/87/61/42/655876142.db2.gz HWCSISALGWZTIW-INIZCTEOSA-N 0 3 312.413 3.382 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)c(Cl)cc2C)C[C@@H]1C ZINC000947599385 655877113 /nfs/dbraw/zinc/87/71/13/655877113.db2.gz UJGQJHGFJYFOEE-GJZGRUSLSA-N 0 3 318.848 3.173 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)C[C@@H]1C ZINC000947602621 655885749 /nfs/dbraw/zinc/88/57/49/655885749.db2.gz MLLXGAGMQOXQJB-RDJZCZTQSA-N 0 3 316.420 3.049 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001024456299 655907334 /nfs/dbraw/zinc/90/73/34/655907334.db2.gz VFCYDVHNRQFXRX-MRXNPFEDSA-N 0 3 324.424 3.349 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001024471316 655908586 /nfs/dbraw/zinc/90/85/86/655908586.db2.gz CRZZIENHKIWYPM-KRWDZBQOSA-N 0 3 312.457 3.418 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001024508879 655912338 /nfs/dbraw/zinc/91/23/38/655912338.db2.gz NRZWDWDABSTSNB-ICSRJNTNSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001024624950 655925636 /nfs/dbraw/zinc/92/56/36/655925636.db2.gz DTCLMPFVBIKIGU-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001024676845 655929349 /nfs/dbraw/zinc/92/93/49/655929349.db2.gz ZVWYCTABBILCGG-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001024695518 655931027 /nfs/dbraw/zinc/93/10/27/655931027.db2.gz AFJLXNWURVXYNA-LSDHHAIUSA-N 0 3 319.449 3.349 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001024762646 655936299 /nfs/dbraw/zinc/93/62/99/655936299.db2.gz UXYKWBQHMZJHFA-FQEVSTJZSA-N 0 3 322.452 3.254 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001024821081 655941864 /nfs/dbraw/zinc/94/18/64/655941864.db2.gz COBXAHWZASBVCD-QGZVFWFLSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cnc(C(C)C)s1 ZINC001024829807 655943670 /nfs/dbraw/zinc/94/36/70/655943670.db2.gz HQEZMOWPMZGACC-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001025069763 655963806 /nfs/dbraw/zinc/96/38/06/655963806.db2.gz OFOKEMDQMCIZMC-YOEHRIQHSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025195739 655975875 /nfs/dbraw/zinc/97/58/75/655975875.db2.gz MEVZENXJYUPZBQ-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001025194756 655976153 /nfs/dbraw/zinc/97/61/53/655976153.db2.gz FUOBCXDXCZYWOI-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001025194763 655976174 /nfs/dbraw/zinc/97/61/74/655976174.db2.gz FUOBCXDXCZYWOI-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199794 655976619 /nfs/dbraw/zinc/97/66/19/655976619.db2.gz ZRLFCLMRICANKN-ZWKOTPCHSA-N 0 3 314.429 3.070 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C ZINC001025202550 655978202 /nfs/dbraw/zinc/97/82/02/655978202.db2.gz ZBHWFRMGABCEBS-HOTGVXAUSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001025208833 655978555 /nfs/dbraw/zinc/97/85/55/655978555.db2.gz FNYGPRJMZRBTHM-MOPGFXCFSA-N 0 3 314.473 3.356 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cncs1 ZINC001025209133 655978719 /nfs/dbraw/zinc/97/87/19/655978719.db2.gz JDOCRIJDULLVOF-GJZGRUSLSA-N 0 3 319.474 3.178 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnc(C)s1 ZINC001025209753 655978902 /nfs/dbraw/zinc/97/89/02/655978902.db2.gz NWYUNPNHAUSEIL-LSDHHAIUSA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001025215145 655979782 /nfs/dbraw/zinc/97/97/82/655979782.db2.gz JDRNQMQFMJIQQG-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025220616 655980615 /nfs/dbraw/zinc/98/06/15/655980615.db2.gz IGPRRHXDJIDFFJ-JKSUJKDBSA-N 0 3 306.425 3.119 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227513 655981563 /nfs/dbraw/zinc/98/15/63/655981563.db2.gz QGZWCRXMFYFUPR-ZWKOTPCHSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001025228933 655982395 /nfs/dbraw/zinc/98/23/95/655982395.db2.gz DYHGJJFFNCSXAT-MOPGFXCFSA-N 0 3 314.473 3.356 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025259064 655985116 /nfs/dbraw/zinc/98/51/16/655985116.db2.gz KQWOSXMNNVABOT-DLBZAZTESA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258863 655985152 /nfs/dbraw/zinc/98/51/52/655985152.db2.gz KEORNHVAXKDKDN-DLBZAZTESA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266024 655986504 /nfs/dbraw/zinc/98/65/04/655986504.db2.gz IHVWJDSRRVELAJ-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260644 655986660 /nfs/dbraw/zinc/98/66/60/655986660.db2.gz YUDVEESUIURFEN-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CCCCC1 ZINC001025268040 655986781 /nfs/dbraw/zinc/98/67/81/655986781.db2.gz VAXJUXMQCJXYQV-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC2(CCC2)C1 ZINC001025261431 655986969 /nfs/dbraw/zinc/98/69/69/655986969.db2.gz VSGGYTJDVPPUPB-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1csc(C)c1 ZINC001025276699 655988204 /nfs/dbraw/zinc/98/82/04/655988204.db2.gz KMBWBQDFOUZTLM-IRXDYDNUSA-N 0 3 316.470 3.149 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccccc1C ZINC001025294880 655989694 /nfs/dbraw/zinc/98/96/94/655989694.db2.gz MNHUNRIAXSIAIY-VQTJNVASSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001025300045 655990495 /nfs/dbraw/zinc/99/04/95/655990495.db2.gz AQHDDCIMGWTVJS-RBUKOAKNSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(CC)CC ZINC001025300621 655990549 /nfs/dbraw/zinc/99/05/49/655990549.db2.gz DLUZDVWWHRKQAO-IAGOWNOFSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC001025480672 656021233 /nfs/dbraw/zinc/02/12/33/656021233.db2.gz ZPHZBOCDZVUODK-HOCLYGCPSA-N 0 3 318.486 3.219 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2occc2C(C)C)C1 ZINC001025517813 656027251 /nfs/dbraw/zinc/02/72/51/656027251.db2.gz ALICDKYNSXITBF-CVEARBPZSA-N 0 3 316.445 3.257 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC)C1 ZINC001025519296 656027788 /nfs/dbraw/zinc/02/77/88/656027788.db2.gz MSBZHVLJVFVSGC-AEFFLSMTSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC001025525283 656028608 /nfs/dbraw/zinc/02/86/08/656028608.db2.gz ZTECWXHHBGFPEM-CABCVRRESA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001025536668 656030593 /nfs/dbraw/zinc/03/05/93/656030593.db2.gz ZVCZMHKWUBNBDJ-DLBZAZTESA-N 0 3 324.468 3.202 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC001025534106 656031048 /nfs/dbraw/zinc/03/10/48/656031048.db2.gz KBGNAUKISNVCQW-WBVHZDCISA-N 0 3 323.440 3.022 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC001025544261 656033378 /nfs/dbraw/zinc/03/33/78/656033378.db2.gz SDQQHPJXJFZOTF-HOTGVXAUSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC001025566654 656037560 /nfs/dbraw/zinc/03/75/60/656037560.db2.gz FOCGXBKFZFZLNL-CABCVRRESA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001025592307 656041171 /nfs/dbraw/zinc/04/11/71/656041171.db2.gz NNVMDSIMWXESLT-UZLBHIALSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC001025596168 656042571 /nfs/dbraw/zinc/04/25/71/656042571.db2.gz YJIADWVXRBFCDI-UKRRQHHQSA-N 0 3 316.470 3.089 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC001025598527 656042943 /nfs/dbraw/zinc/04/29/43/656042943.db2.gz ZXRWRJNHXBHBDW-CJNGLKHVSA-N 0 3 320.383 3.088 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC001025603080 656044115 /nfs/dbraw/zinc/04/41/15/656044115.db2.gz QGZKDCGDDNILOV-GOEBONIOSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025602552 656044159 /nfs/dbraw/zinc/04/41/59/656044159.db2.gz IIDQQENTMHTJNN-XLAORIBOSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603902 656044623 /nfs/dbraw/zinc/04/46/23/656044623.db2.gz YYPGJOMQHFJDRH-BRSBDYLESA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025611005 656047081 /nfs/dbraw/zinc/04/70/81/656047081.db2.gz ZRMKNZLSHOSYBI-MSOLQXFVSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC001025613795 656047667 /nfs/dbraw/zinc/04/76/67/656047667.db2.gz ARPHVUVWLYOZBN-LSDHHAIUSA-N 0 3 318.486 3.082 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2oc3ccccc3c2C)C1 ZINC001025613764 656047846 /nfs/dbraw/zinc/04/78/46/656047846.db2.gz ABEKKRPSFLYZDT-CVEARBPZSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001025630028 656052054 /nfs/dbraw/zinc/05/20/54/656052054.db2.gz OELNWMFHYDXRAS-HOTGVXAUSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC001025630779 656052522 /nfs/dbraw/zinc/05/25/22/656052522.db2.gz VZASFLDMIKZJPL-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001038348810 656078841 /nfs/dbraw/zinc/07/88/41/656078841.db2.gz 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C=CCN(C)[C@H]1CCN(C(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC000980549835 656522651 /nfs/dbraw/zinc/52/26/51/656522651.db2.gz GSFROKAQMXMVGB-ZDUSSCGKSA-N 0 3 321.490 3.081 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC000980559024 656524528 /nfs/dbraw/zinc/52/45/28/656524528.db2.gz VAMCIBAHBPQHJG-PBHICJAKSA-N 0 3 320.864 3.237 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC(C)C)C1 ZINC001039906053 656541203 /nfs/dbraw/zinc/54/12/03/656541203.db2.gz DNGWDVAFPATZRD-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001027964069 656547139 /nfs/dbraw/zinc/54/71/39/656547139.db2.gz HZPRQOPVDBPUGA-GUDVDZBRSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC)c1ccccc1 ZINC001040012693 656549999 /nfs/dbraw/zinc/54/99/99/656549999.db2.gz XZILDVGMVJQUNH-OTWHNJEPSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C1CCC(C(=O)N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000950047232 656560556 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CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001040263220 656573121 /nfs/dbraw/zinc/57/31/21/656573121.db2.gz COMFRRWNQSLXKL-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC3CC(C)(C)C3)C2)C1 ZINC001040347222 656579480 /nfs/dbraw/zinc/57/94/80/656579480.db2.gz BENMODNPXHMSOD-HXUWFJFHSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)CC3CCCC3)C2)C1 ZINC001040432753 656589144 /nfs/dbraw/zinc/58/91/44/656589144.db2.gz VEAYZDPZYLGEJM-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C ZINC001049298237 656594772 /nfs/dbraw/zinc/59/47/72/656594772.db2.gz RPJJUQDSHGWPPJ-LSDHHAIUSA-N 0 3 304.459 3.312 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCCCC1 ZINC001049305999 656598020 /nfs/dbraw/zinc/59/80/20/656598020.db2.gz IAGRGYZNFOLVOL-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN N#Cc1ccccc1CN[C@H]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC000980983611 656609558 /nfs/dbraw/zinc/60/95/58/656609558.db2.gz 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/nfs/dbraw/zinc/63/68/67/656636867.db2.gz FQZSYMRCVWWABB-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cscc2C(F)F)CC1 ZINC000981177637 656639965 /nfs/dbraw/zinc/63/99/65/656639965.db2.gz VZRBPEZEJQFCLW-UHFFFAOYSA-N 0 3 314.401 3.410 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)cc1F ZINC001049583769 656645037 /nfs/dbraw/zinc/64/50/37/656645037.db2.gz YSQFFWWTHSOZMV-HZPDHXFCSA-N 0 3 322.811 3.344 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1ccc(C)cc1 ZINC001049584151 656646044 /nfs/dbraw/zinc/64/60/44/656646044.db2.gz OIHKQCYRCOZRRP-PMACEKPBSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CCCCCC1 ZINC001049597161 656647514 /nfs/dbraw/zinc/64/75/14/656647514.db2.gz BDTMGWCHKBWLCJ-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028054354 656653080 /nfs/dbraw/zinc/65/30/80/656653080.db2.gz WFRAGJKJEHPWEP-INIZCTEOSA-N 0 3 311.429 3.247 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1csc2ccccc12 ZINC001028054162 656653351 /nfs/dbraw/zinc/65/33/51/656653351.db2.gz SHPGAEKFGPKTIF-AWEZNQCLSA-N 0 3 312.438 3.119 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(F)c1F ZINC001049669826 656661674 /nfs/dbraw/zinc/66/16/74/656661674.db2.gz AWSPTDVQBFFSOG-CVEARBPZSA-N 0 3 320.383 3.220 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049672462 656661822 /nfs/dbraw/zinc/66/18/22/656661822.db2.gz SRUUTZNPNVVQCX-HOTGVXAUSA-N 0 3 300.402 3.022 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C)c(C)cc1Cl ZINC001028073093 656664155 /nfs/dbraw/zinc/66/41/55/656664155.db2.gz NQMVEHZEWBHOGL-OAHLLOKOSA-N 0 3 318.848 3.174 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CCC)cc1 ZINC001049683012 656664778 /nfs/dbraw/zinc/66/47/78/656664778.db2.gz ZNRYVNQSKOOOJE-PMACEKPBSA-N 0 3 324.468 3.341 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1CC ZINC001049694406 656667231 /nfs/dbraw/zinc/66/72/31/656667231.db2.gz CQRVXSUCNTVERE-HZPDHXFCSA-N 0 3 302.418 3.097 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1Cl ZINC001049700501 656669397 /nfs/dbraw/zinc/66/93/97/656669397.db2.gz VZCDJTHKYKVAAN-ZIAGYGMSSA-N 0 3 308.809 3.188 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](C)c3ccccc3C)C2)C1 ZINC001041723537 656670442 /nfs/dbraw/zinc/67/04/42/656670442.db2.gz ISFUCXSEEUEAOB-RXVVDRJESA-N 0 3 324.468 3.046 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(F)ccc1Cl ZINC001049746059 656676960 /nfs/dbraw/zinc/67/69/60/656676960.db2.gz CBZKEESDWXNQGP-HZPDHXFCSA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc2[nH]ccc21 ZINC001049745463 656677445 /nfs/dbraw/zinc/67/74/45/656677445.db2.gz FUCIHWFQMZHIKW-ZWKOTPCHSA-N 0 3 309.413 3.033 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)c1ccccc1 ZINC001049752214 656680359 /nfs/dbraw/zinc/68/03/59/656680359.db2.gz GARXLBWWJQWZPH-KSZLIROESA-N 0 3 316.420 3.339 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CC1CCCC1 ZINC001049767897 656683562 /nfs/dbraw/zinc/68/35/62/656683562.db2.gz IMCXPTSWRCFRCJ-CGTJXYLNSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCCC3(C)C)C2)C1 ZINC001041849791 656686295 /nfs/dbraw/zinc/68/62/95/656686295.db2.gz ALXWVLBXAULXGC-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2c1ccn2C ZINC001049789132 656687710 /nfs/dbraw/zinc/68/77/10/656687710.db2.gz WDJSDFNGIPUAII-OALUTQOASA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1cc(C)oc1C ZINC001049791575 656687844 /nfs/dbraw/zinc/68/78/44/656687844.db2.gz WHIFUOCFBNWDSF-ZTFGCOKTSA-N 0 3 316.445 3.251 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CCCCC3(C)C)C2)C1 ZINC001041862338 656688797 /nfs/dbraw/zinc/68/87/97/656688797.db2.gz XZQXSJNHTQXUEF-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2cccnc2c1 ZINC001049800045 656689133 /nfs/dbraw/zinc/68/91/33/656689133.db2.gz AMQLCJNPLRYEPQ-RBUKOAKNSA-N 0 3 321.424 3.100 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(F)CCCCC1 ZINC001049823392 656692351 /nfs/dbraw/zinc/69/23/51/656692351.db2.gz AUWLCURTJUQOIE-JKSUJKDBSA-N 0 3 308.441 3.300 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2sccc2[nH]1 ZINC001049826771 656693382 /nfs/dbraw/zinc/69/33/82/656693382.db2.gz STTMYVCYAWIDQG-CABCVRRESA-N 0 3 315.442 3.094 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1CCC ZINC001049839464 656695252 /nfs/dbraw/zinc/69/52/52/656695252.db2.gz IDRWZDMMYGTPIG-IRXDYDNUSA-N 0 3 316.445 3.487 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c(C)cccn2c1 ZINC001049841379 656696313 /nfs/dbraw/zinc/69/63/13/656696313.db2.gz RXBPTHLORIRZNX-QZTJIDSGSA-N 0 3 323.440 3.113 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1oc(CC)cc1C ZINC001049847439 656697196 /nfs/dbraw/zinc/69/71/96/656697196.db2.gz XBXBOQUQXXRLJW-IRXDYDNUSA-N 0 3 316.445 3.405 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(Cl)c1 ZINC001049857593 656701173 /nfs/dbraw/zinc/70/11/73/656701173.db2.gz LNXXIBGQYUOUKQ-HZPDHXFCSA-N 0 3 304.821 3.205 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1Cl ZINC001049859833 656702189 /nfs/dbraw/zinc/70/21/89/656702189.db2.gz WTXSBVQRBHCPCJ-HZPDHXFCSA-N 0 3 304.821 3.205 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049865261 656704599 /nfs/dbraw/zinc/70/45/99/656704599.db2.gz UCCQOOJDZXTIDW-RTBURBONSA-N 0 3 310.441 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CCCCC1 ZINC001049870695 656706131 /nfs/dbraw/zinc/70/61/31/656706131.db2.gz CCXQZXQIFOZROT-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(F)cc1Cl ZINC001049870054 656706587 /nfs/dbraw/zinc/70/65/87/656706587.db2.gz HBOACKGREIETCI-CVEARBPZSA-N 0 3 322.811 3.344 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(F)cc(F)c1 ZINC001049874875 656708150 /nfs/dbraw/zinc/70/81/50/656708150.db2.gz BNNNDDPFPIQPPM-SJORKVTESA-N 0 3 320.383 3.220 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1ccccc1 ZINC001049877300 656710431 /nfs/dbraw/zinc/71/04/31/656710431.db2.gz 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ZINC001049913387 656721130 /nfs/dbraw/zinc/72/11/30/656721130.db2.gz WOLNQPQWGLDVTP-YTQUADARSA-N 0 3 312.457 3.117 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C2CC2)c1 ZINC001049916673 656721784 /nfs/dbraw/zinc/72/17/84/656721784.db2.gz ISNIFTFAWUFBBY-VQTJNVASSA-N 0 3 322.452 3.266 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@H]21 ZINC001042098442 656722058 /nfs/dbraw/zinc/72/20/58/656722058.db2.gz QPAKKLSTKRNZEY-SJLPKXTDSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@@H]21 ZINC001042099131 656722250 /nfs/dbraw/zinc/72/22/50/656722250.db2.gz WTBYBZZONNHICI-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@@H]21 ZINC001042098226 656722388 /nfs/dbraw/zinc/72/23/88/656722388.db2.gz OFGMAUBDUROCRK-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1CC ZINC001049920801 656723920 /nfs/dbraw/zinc/72/39/20/656723920.db2.gz UUNBMMNIDZEETL-HZPDHXFCSA-N 0 3 316.470 3.013 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)C[C@@H]21 ZINC001042142292 656726514 /nfs/dbraw/zinc/72/65/14/656726514.db2.gz MWJQDAOFSPQTPW-MJGOQNOKSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CCCCCCC3)C[C@@H]21 ZINC001042149832 656727486 /nfs/dbraw/zinc/72/74/86/656727486.db2.gz RPHJDUMZZAIDNG-WMZOPIPTSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)Cc3cc4ccccc4o3)C[C@@H]21 ZINC001042175257 656730645 /nfs/dbraw/zinc/73/06/45/656730645.db2.gz AJLGVKARRHDFNI-YJBOKZPZSA-N 0 3 324.424 3.084 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]21 ZINC001042181651 656731437 /nfs/dbraw/zinc/73/14/37/656731437.db2.gz IBVDFAXSKNCSEZ-CVEARBPZSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000981596628 656733449 /nfs/dbraw/zinc/73/34/49/656733449.db2.gz APRRTLTYJXFELG-PMACEKPBSA-N 0 3 324.468 3.128 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000981601990 656734278 /nfs/dbraw/zinc/73/42/78/656734278.db2.gz 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C=C(C)CN1C[C@H](NC(=O)c2cc(C)c(F)cc2F)CC[C@H]1C ZINC001071602215 686698398 /nfs/dbraw/zinc/69/83/98/686698398.db2.gz HRGQOMLHRVJBAS-ZIAGYGMSSA-N 0 3 322.399 3.432 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]c3ccccc23)CC[C@H]1C ZINC001071656165 686713866 /nfs/dbraw/zinc/71/38/66/686713866.db2.gz UONYQOBJPXJTJC-HUUCEWRRSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)ccc2OC)CC[C@@H]1C ZINC001071660404 686714673 /nfs/dbraw/zinc/71/46/73/686714673.db2.gz VTEJTGVGRWOVFE-HOTGVXAUSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(CC)s2)CC[C@@H]1C ZINC001071659753 686714795 /nfs/dbraw/zinc/71/47/95/686714795.db2.gz KYDQCBWMGAOYJY-UONOGXRCSA-N 0 3 306.475 3.469 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2CCC)CC[C@H]1C ZINC001071674405 686720707 /nfs/dbraw/zinc/72/07/07/686720707.db2.gz SMOMLBYURGIPFQ-SJLPKXTDSA-N 0 3 312.457 3.245 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cc(Cl)c2)CC[C@H]1C ZINC001071685360 686722485 /nfs/dbraw/zinc/72/24/85/686722485.db2.gz AFSYIYSZEMFUFI-RHSMWYFYSA-N 0 3 318.848 3.254 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)CC[C@@H]1C ZINC001071697845 686726139 /nfs/dbraw/zinc/72/61/39/686726139.db2.gz GRCQZMRTKWFRFD-RDJZCZTQSA-N 0 3 315.461 3.166 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)CC[C@H]1C ZINC001071712448 686729456 /nfs/dbraw/zinc/72/94/56/686729456.db2.gz OCUAAQHAHIYDEN-NVXWUHKLSA-N 0 3 323.440 3.082 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3ccsc3[nH]2)CC[C@H]1C ZINC001071724502 686733874 /nfs/dbraw/zinc/73/38/74/686733874.db2.gz IDIDZKAGHBQXEP-TZMCWYRMSA-N 0 3 317.458 3.388 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)CC[C@@H]1C ZINC001071732299 686736635 /nfs/dbraw/zinc/73/66/35/686736635.db2.gz RRBMNXIENMYIFQ-DOTOQJQBSA-N 0 3 323.440 3.082 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)c(C)c2)CC[C@@H]1C ZINC001071775669 686748997 /nfs/dbraw/zinc/74/89/97/686748997.db2.gz GIJBFWVEMIAPER-HOCLYGCPSA-N 0 3 304.409 3.293 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(Cl)c2F)CC[C@H]1C ZINC001071782663 686751872 /nfs/dbraw/zinc/75/18/72/686751872.db2.gz BGSPTLNUFUDWSO-CHWSQXEVSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3ncccc3c2)CC[C@@H]1C ZINC001071789302 686755070 /nfs/dbraw/zinc/75/50/70/686755070.db2.gz RSFCFWVVMTWQAA-YJBOKZPZSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc[nH]c2C2CCC2)CC[C@H]1C ZINC001071828203 686763742 /nfs/dbraw/zinc/76/37/42/686763742.db2.gz KYOXCAVXRXZXLY-GDBMZVCRSA-N 0 3 315.461 3.441 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3[nH]ccc32)CC[C@@H]1C ZINC001071835182 686765635 /nfs/dbraw/zinc/76/56/35/686765635.db2.gz LGLXJDZUCWKZEP-LSDHHAIUSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OC)c2C)CC[C@H]1C ZINC001071846726 686771295 /nfs/dbraw/zinc/77/12/95/686771295.db2.gz DTEMGUHXZWFAIK-ZBFHGGJFSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(CC)cc2)CC[C@H]1C ZINC001071857299 686773182 /nfs/dbraw/zinc/77/31/82/686773182.db2.gz GHXJRWDOTAOXDT-APWZRJJASA-N 0 3 314.473 3.337 20 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BMHLDEXJHMWATI-BBRMVZONSA-N 0 3 306.837 3.499 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2sc(C)cc2C)CC[C@@H]1C ZINC001072033177 686834047 /nfs/dbraw/zinc/83/40/47/686834047.db2.gz KQULJCYDXGCBEO-GOEBONIOSA-N 0 3 320.502 3.453 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OCC)cc2)CC[C@@H]1C ZINC001072037707 686836153 /nfs/dbraw/zinc/83/61/53/686836153.db2.gz SULMYKZLFXTEQV-DOTOQJQBSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OCC)cc2)CC[C@H]1C ZINC001072037710 686836935 /nfs/dbraw/zinc/83/69/35/686836935.db2.gz SULMYKZLFXTEQV-WBVHZDCISA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072043916 686840416 /nfs/dbraw/zinc/84/04/16/686840416.db2.gz GKPIFDGHHLDIGU-FUHWJXTLSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2sc(C)nc2C)CC[C@H]1C ZINC001072055260 686849667 /nfs/dbraw/zinc/84/96/67/686849667.db2.gz RLXAPWJNTHAAMZ-IUODEOHRSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)CC[C@H]1C ZINC001072066519 686854607 /nfs/dbraw/zinc/85/46/07/686854607.db2.gz MEBFSNFEOFVWRY-BEFAXECRSA-N 0 3 312.457 3.334 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc3ccccc32)CC[C@@H]1C ZINC001072092785 686861982 /nfs/dbraw/zinc/86/19/82/686861982.db2.gz XIPHOVPKOVOORZ-RDJZCZTQSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)CC[C@H]1C ZINC001072098981 686865183 /nfs/dbraw/zinc/86/51/83/686865183.db2.gz JTNJSXVVUHJMFK-MJGOQNOKSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cccc4c3CCCCC4)C2)C1 ZINC001072836662 686967562 /nfs/dbraw/zinc/96/75/62/686967562.db2.gz KWZOLYOKFJGAQO-UHFFFAOYSA-N 0 3 324.468 3.289 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)c4ccccc34)C2)C1 ZINC001073007538 686997823 /nfs/dbraw/zinc/99/78/23/686997823.db2.gz NVDTYSZOUNBLFK-UHFFFAOYSA-N 0 3 324.399 3.313 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)C3CCCCC3)C2)C1 ZINC001073053452 687005942 /nfs/dbraw/zinc/00/59/42/687005942.db2.gz JQBKIJVFDSXLIC-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3[nH]c4ccc(C)cc4c3C)C2)C1 ZINC001073098903 687012046 /nfs/dbraw/zinc/01/20/46/687012046.db2.gz XYBAHHZIUPMWNU-UHFFFAOYSA-N 0 3 323.440 3.119 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 ZINC001073145326 687019269 /nfs/dbraw/zinc/01/92/69/687019269.db2.gz YUQVRAXDFMLFGV-UHFFFAOYSA-N 0 3 324.346 3.039 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3sccc3C(F)F)C2)C1 ZINC001073156369 687020705 /nfs/dbraw/zinc/02/07/05/687020705.db2.gz RLBBEPCFECNPCB-UHFFFAOYSA-N 0 3 312.385 3.020 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)Cc3c(C)oc4ccccc43)C2)C1 ZINC001073497472 687207604 /nfs/dbraw/zinc/20/76/04/687207604.db2.gz QLDGIQTWILQLTN-UHFFFAOYSA-N 0 3 324.424 3.004 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001076366821 687514803 /nfs/dbraw/zinc/51/48/03/687514803.db2.gz JQBSQQFRRYEGAZ-RLFYNMQTSA-N 0 3 316.420 3.038 20 30 DGEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4sccc4c3)[C@@H]2C1 ZINC001076418591 687520910 /nfs/dbraw/zinc/52/09/10/687520910.db2.gz GCUKVNMIXPHFCL-DLBZAZTESA-N 0 3 324.449 3.071 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4ccccc4c3)[C@@H]2C1 ZINC001076495766 687531202 /nfs/dbraw/zinc/53/12/02/687531202.db2.gz QTWKKSNJVOEWSB-RBUKOAKNSA-N 0 3 306.409 3.172 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3oc4ccccc4c3C)[C@@H]2C1 ZINC001076535553 687536489 /nfs/dbraw/zinc/53/64/89/687536489.db2.gz SJKCRQHSZUQEOS-DOTOQJQBSA-N 0 3 324.424 3.464 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3coc4cc(C)ccc34)[C@@H]2C1 ZINC001076540732 687537214 /nfs/dbraw/zinc/53/72/14/687537214.db2.gz ZQSJMKOCBMYMNT-MAUKXSAKSA-N 0 3 324.424 3.002 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001080133734 687922262 /nfs/dbraw/zinc/92/22/62/687922262.db2.gz JRTVJVOSFBMINJ-CZUORRHYSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nc3ccccc3cc2C)C1 ZINC001080158600 687924684 /nfs/dbraw/zinc/92/46/84/687924684.db2.gz UAIHUBIJPFFVJS-CRAIPNDOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001080378519 687965231 /nfs/dbraw/zinc/96/52/31/687965231.db2.gz LYJIQFYBGKHRCU-XJKCOSOUSA-N 0 3 306.837 3.066 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001080521986 687991478 /nfs/dbraw/zinc/99/14/78/687991478.db2.gz VFFFCNUJQXHSEK-JFIYKMOQSA-N 0 3 300.446 3.111 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001080820048 688014880 /nfs/dbraw/zinc/01/48/80/688014880.db2.gz LMKBHALRJLLPAG-SZVBFZGTSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001080837828 688017783 /nfs/dbraw/zinc/01/77/83/688017783.db2.gz UGLHGNGQYSZMEN-MLGOLLRUSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001080854786 688019251 /nfs/dbraw/zinc/01/92/51/688019251.db2.gz GSAVVDLWNXBBNV-NVXWUHKLSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001080888653 688024304 /nfs/dbraw/zinc/02/43/04/688024304.db2.gz HPCJMPURWAJVCD-CRAIPNDOSA-N 0 3 316.445 3.100 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001081070920 688047604 /nfs/dbraw/zinc/04/76/04/688047604.db2.gz FVZMARQGMSQYER-RDTXWAMCSA-N 0 3 300.446 3.048 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001081070901 688047766 /nfs/dbraw/zinc/04/77/66/688047766.db2.gz FDWZTUJWZGMYQP-DNVCBOLYSA-N 0 3 314.473 3.438 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCC#N)c1ccccc1-c1ccccc1 ZINC001578368343 1191939394 /nfs/dbraw/zinc/93/93/94/1191939394.db2.gz MKBZVXPFGMZMCU-KRWDZBQOSA-N 0 3 307.397 3.338 20 30 DGEDHN N#Cc1ccccc1OCCN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001620575383 1192000689 /nfs/dbraw/zinc/00/06/89/1192000689.db2.gz OVDQQXDIRJKCRM-AZUAARDMSA-N 0 3 304.393 3.211 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC001580047001 1192004728 /nfs/dbraw/zinc/00/47/28/1192004728.db2.gz BAJBCBJBLGTZAH-MRXNPFEDSA-N 0 3 303.381 3.122 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC001583472537 1192147680 /nfs/dbraw/zinc/14/76/80/1192147680.db2.gz XIKOPJSITJZUGL-MJGOQNOKSA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC001583472533 1192147746 /nfs/dbraw/zinc/14/77/46/1192147746.db2.gz XIKOPJSITJZUGL-HKUYNNGSSA-N 0 3 312.457 3.479 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001661988793 1196671830 /nfs/dbraw/zinc/67/18/30/1196671830.db2.gz DWVKHFASUJIEPB-HOCLYGCPSA-N 0 3 306.425 3.024 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)CCC1 ZINC001673397715 1196736185 /nfs/dbraw/zinc/73/61/85/1196736185.db2.gz VBTSJWFOFSGXRZ-GHAIFCDISA-N 0 3 310.869 3.456 20 30 DGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001586717332 1192346025 /nfs/dbraw/zinc/34/60/25/1192346025.db2.gz RHVWTKLIZYHJGL-KUHUBIRLSA-N 0 3 324.428 3.493 20 30 DGEDHN C=CC[C@H]1[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCCC1(C)C ZINC001588563919 1192449876 /nfs/dbraw/zinc/44/98/76/1192449876.db2.gz FDYRJONDNOEKCF-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@H]1[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCCC1(C)C ZINC001588563919 1192449878 /nfs/dbraw/zinc/44/98/78/1192449878.db2.gz FDYRJONDNOEKCF-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@H]1[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CCCC1(C)C ZINC001588563919 1192449880 /nfs/dbraw/zinc/44/98/80/1192449880.db2.gz FDYRJONDNOEKCF-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@H]1[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CCCC1(C)C ZINC001588563919 1192449886 /nfs/dbraw/zinc/44/98/86/1192449886.db2.gz FDYRJONDNOEKCF-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588561269 1192450081 /nfs/dbraw/zinc/45/00/81/1192450081.db2.gz YNYFYHMFUMHELN-VMGRFDJRSA-N 0 3 309.417 3.188 20 30 DGEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588561269 1192450084 /nfs/dbraw/zinc/45/00/84/1192450084.db2.gz YNYFYHMFUMHELN-VMGRFDJRSA-N 0 3 309.417 3.188 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588561059 1192450808 /nfs/dbraw/zinc/45/08/08/1192450808.db2.gz WXVZWCQAKBWLKR-NVXWUHKLSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588561059 1192450819 /nfs/dbraw/zinc/45/08/19/1192450819.db2.gz WXVZWCQAKBWLKR-NVXWUHKLSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CCC[C@H](CC)[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588577997 1192451206 /nfs/dbraw/zinc/45/12/06/1192451206.db2.gz UCZPWMOVOWZTFF-LBPRGKRZSA-N 0 3 305.813 3.355 20 30 DGEDHN C=CCC[C@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588577997 1192451208 /nfs/dbraw/zinc/45/12/08/1192451208.db2.gz UCZPWMOVOWZTFF-LBPRGKRZSA-N 0 3 305.813 3.355 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001588647970 1192453122 /nfs/dbraw/zinc/45/31/22/1192453122.db2.gz FEUKPAOMUFQZIO-NUJGCVRESA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001588647970 1192453123 /nfs/dbraw/zinc/45/31/23/1192453123.db2.gz FEUKPAOMUFQZIO-NUJGCVRESA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001588647970 1192453126 /nfs/dbraw/zinc/45/31/26/1192453126.db2.gz FEUKPAOMUFQZIO-NUJGCVRESA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001588647970 1192453128 /nfs/dbraw/zinc/45/31/28/1192453128.db2.gz FEUKPAOMUFQZIO-NUJGCVRESA-N 0 3 323.444 3.291 20 30 DGEDHN C=CCN[C@H](CNC(=O)C(C)(C)C(F)(F)F)c1ccccc1 ZINC001664598754 1197019725 /nfs/dbraw/zinc/01/97/25/1197019725.db2.gz MPEWLUPNVCXEHM-CYBMUJFWSA-N 0 3 314.351 3.208 20 30 DGEDHN C[N@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591066837 1192557805 /nfs/dbraw/zinc/55/78/05/1192557805.db2.gz HNAQPIZGQSPMOA-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN C[N@@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591066837 1192557811 /nfs/dbraw/zinc/55/78/11/1192557811.db2.gz HNAQPIZGQSPMOA-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN C[N@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591066837 1192557814 /nfs/dbraw/zinc/55/78/14/1192557814.db2.gz HNAQPIZGQSPMOA-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN C[N@@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591066837 1192557819 /nfs/dbraw/zinc/55/78/19/1192557819.db2.gz HNAQPIZGQSPMOA-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)Cc1cc(F)ccc1C ZINC001691017799 1176098955 /nfs/dbraw/zinc/09/89/55/1176098955.db2.gz TXJADKQCGHDGSV-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cnc(C)s1)C1CC1 ZINC001670528260 1176160970 /nfs/dbraw/zinc/16/09/70/1176160970.db2.gz NZKALGVWXPISLK-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2c(cccc2F)s1 ZINC001691052028 1176278909 /nfs/dbraw/zinc/27/89/09/1176278909.db2.gz BHVWHRWELSWHAM-UHFFFAOYSA-N 0 3 306.406 3.278 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC ZINC001691054874 1176280072 /nfs/dbraw/zinc/28/00/72/1176280072.db2.gz DBLFXWQVZMVJAW-QGZVFWFLSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](CC)CC(F)(F)F ZINC001691106131 1176316355 /nfs/dbraw/zinc/31/63/55/1176316355.db2.gz RDASAHWPCJQJDP-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN CCC1(C(=O)NC[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001691110893 1176319871 /nfs/dbraw/zinc/31/98/71/1176319871.db2.gz WBZZPKHJHFTBPH-KDURUIRLSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001691161449 1176347873 /nfs/dbraw/zinc/34/78/73/1176347873.db2.gz KJYKXCKCTSIDFI-AVGNSLFASA-N 0 3 319.276 3.392 20 30 DGEDHN CCCN(CCNC(=O)C#CC1CC1)Cc1cc2ccccc2o1 ZINC001691179368 1176363022 /nfs/dbraw/zinc/36/30/22/1176363022.db2.gz KMSIDBGBKGZHSJ-UHFFFAOYSA-N 0 3 324.424 3.174 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1sccc1C(F)F ZINC001691196626 1176384344 /nfs/dbraw/zinc/38/43/44/1176384344.db2.gz XPISBRZIRRWWCP-UHFFFAOYSA-N 0 3 314.401 3.151 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](C)c1cc2ccccc2o1)C1CC1 ZINC001691233057 1176406634 /nfs/dbraw/zinc/40/66/34/1176406634.db2.gz WNIGYIRUKRLZRF-CQSZACIVSA-N 0 3 312.413 3.303 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cnc(C(C)(C)C)s1)C1CC1 ZINC001691236879 1176407818 /nfs/dbraw/zinc/40/78/18/1176407818.db2.gz NTTJNLZWCZBHGK-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCCC(=O)N1CCc2sc(CNCCCCC)nc2C1 ZINC001691802315 1176409491 /nfs/dbraw/zinc/40/94/91/1176409491.db2.gz OZHDIDSJXSHXJH-UHFFFAOYSA-N 0 3 321.490 3.274 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCC=C(Cl)Cl)C1CC1 ZINC001698644729 1176440945 /nfs/dbraw/zinc/44/09/45/1176440945.db2.gz LJTYGZIJOJFXKL-CQSZACIVSA-N 0 3 305.249 3.146 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@@H]2C1(C)C ZINC001691429144 1176536173 /nfs/dbraw/zinc/53/61/73/1176536173.db2.gz VWSBBDFGMIYZBL-YRRDGSJLSA-N 0 3 314.473 3.137 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001725240863 1176586883 /nfs/dbraw/zinc/58/68/83/1176586883.db2.gz MVBCRVYCKHLQGK-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC(=O)N1CCc2sc(CNCCC(C)C)nc2C1 ZINC001692266357 1176593596 /nfs/dbraw/zinc/59/35/96/1176593596.db2.gz NCUDLTTWOKRYPE-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001754556483 1176604130 /nfs/dbraw/zinc/60/41/30/1176604130.db2.gz BGJAHTOJMYEVJA-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C2CCC(F)CC2)CC1 ZINC001731387446 1176612417 /nfs/dbraw/zinc/61/24/17/1176612417.db2.gz PDUIZEWBJFBVHD-UHFFFAOYSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC001752141893 1176680612 /nfs/dbraw/zinc/68/06/12/1176680612.db2.gz OZBZAGQHNCVDSP-VGMOZLQASA-N 0 3 310.869 3.454 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)C(F)(F)F ZINC001752820793 1177200326 /nfs/dbraw/zinc/20/03/26/1177200326.db2.gz QOSUHWQKNDAUIJ-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC(F)(F)F ZINC001691548606 1177309410 /nfs/dbraw/zinc/30/94/10/1177309410.db2.gz GTDNZHXYVRUXGI-GHMZBOCLSA-N 0 3 312.763 3.098 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001691557411 1177312178 /nfs/dbraw/zinc/31/21/78/1177312178.db2.gz XUQPGNQFPGCFOT-NZSAHSFTSA-N 0 3 314.473 3.439 20 30 DGEDHN C=C[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001621014471 1192815249 /nfs/dbraw/zinc/81/52/49/1192815249.db2.gz RGMHAQXNRVWEQE-GOSISDBHSA-N 0 3 319.408 3.176 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCCC ZINC001671011266 1177569850 /nfs/dbraw/zinc/56/98/50/1177569850.db2.gz OZRNAWVQBNAQQJ-HDICACEKSA-N 0 3 304.478 3.436 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC001671275385 1177573224 /nfs/dbraw/zinc/57/32/24/1177573224.db2.gz DIQOSWRLNZCFEO-INIZCTEOSA-N 0 3 308.372 3.012 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001691660776 1177604063 /nfs/dbraw/zinc/60/40/63/1177604063.db2.gz FVMUNGRPRALODK-NVXWUHKLSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001674012306 1177642609 /nfs/dbraw/zinc/64/26/09/1177642609.db2.gz LBEMMMILZLXRMO-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)CC(C)C)C2)CC1 ZINC001691691085 1177690110 /nfs/dbraw/zinc/69/01/10/1177690110.db2.gz XRAKAOASZQORGI-QZTJIDSGSA-N 0 3 318.505 3.395 20 30 DGEDHN CC(C)N(CCCNC(=O)C1CCC1)Cc1ccccc1C#N ZINC001691696031 1177723355 /nfs/dbraw/zinc/72/33/55/1177723355.db2.gz MGHYFRKEOHLMIY-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3(CC(C)C)CCCC3)C2)C1 ZINC001671086372 1177775584 /nfs/dbraw/zinc/77/55/84/1177775584.db2.gz XLNZTUREWWFYNC-LJQANCHMSA-N 0 3 316.489 3.151 20 30 DGEDHN CC/C=C(/C)C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001331000985 1178109597 /nfs/dbraw/zinc/10/95/97/1178109597.db2.gz JVIFFXLMMXEMEK-NVMNQCDNSA-N 0 3 324.468 3.317 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1sc(C)cc1Br ZINC001331287008 1178174892 /nfs/dbraw/zinc/17/48/92/1178174892.db2.gz FOEJDZHZUUOSKS-SNVBAGLBSA-N 0 3 304.253 3.236 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001331517259 1178232561 /nfs/dbraw/zinc/23/25/61/1178232561.db2.gz FGPYRMDZUYWCEB-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2scnc2C)CC1 ZINC001331549796 1178243387 /nfs/dbraw/zinc/24/33/87/1178243387.db2.gz ZKVJUJZNVZWULC-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001331597974 1178255981 /nfs/dbraw/zinc/25/59/81/1178255981.db2.gz UMLZZVBNKCMHCD-UONOGXRCSA-N 0 3 321.490 3.383 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C)c(C)c1Cl ZINC001331617472 1178261555 /nfs/dbraw/zinc/26/15/55/1178261555.db2.gz UVFPDCGBAPAOMI-ZDUSSCGKSA-N 0 3 306.837 3.030 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001331625651 1178262598 /nfs/dbraw/zinc/26/25/98/1178262598.db2.gz CESONEOFWUPTHW-CQSZACIVSA-N 0 3 318.486 3.090 20 30 DGEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CC(C)(C)C ZINC001331955745 1178320273 /nfs/dbraw/zinc/32/02/73/1178320273.db2.gz YNOIKQMTNRBGHT-FUHWJXTLSA-N 0 3 312.457 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@@H]1C ZINC001331990580 1178329818 /nfs/dbraw/zinc/32/98/18/1178329818.db2.gz KFQIOOVYYJVBIC-DZGCQCFKSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001332029579 1178340024 /nfs/dbraw/zinc/34/00/24/1178340024.db2.gz RCAXCGXTUHQXSW-ZIAGYGMSSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccc(F)cc2)[C@H]1C ZINC001332205924 1178391784 /nfs/dbraw/zinc/39/17/84/1178391784.db2.gz LYQRVALQMHAMFU-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001332239300 1178402065 /nfs/dbraw/zinc/40/20/65/1178402065.db2.gz GXAKQZGJXZZZMN-UONOGXRCSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cnc(C)s2)C(C)(C)C1 ZINC001332381383 1178432162 /nfs/dbraw/zinc/43/21/62/1178432162.db2.gz WCYOIMNVUFPIMS-HNNXBMFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cccnc2C)C(C)(C)C1 ZINC001332388966 1178433023 /nfs/dbraw/zinc/43/30/23/1178433023.db2.gz SWKVKMUDEOAQCP-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H](NC[C@H](F)CC)C(C)(C)C2)CCC1 ZINC001332422880 1178442870 /nfs/dbraw/zinc/44/28/70/1178442870.db2.gz JVZYWNPLFSROAE-CABCVRRESA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1cccc(C)c1)C(C)C ZINC001332732233 1178485159 /nfs/dbraw/zinc/48/51/59/1178485159.db2.gz KJOBZYYLZROUFO-QGZVFWFLSA-N 0 3 302.462 3.453 20 30 DGEDHN CC(C)(C)[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CC1 ZINC001332808029 1178501612 /nfs/dbraw/zinc/50/16/12/1178501612.db2.gz LOSUBLACLLQFHW-AWEZNQCLSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001333386044 1178598232 /nfs/dbraw/zinc/59/82/32/1178598232.db2.gz CJDAIXJPRUKMQF-INIZCTEOSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccc(F)cc2)c(F)c1 ZINC001333460566 1178608250 /nfs/dbraw/zinc/60/82/50/1178608250.db2.gz CVZMDMHXEURHFT-UHFFFAOYSA-N 0 3 316.351 3.170 20 30 DGEDHN C=C[C@@H](COC)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001334695124 1178781842 /nfs/dbraw/zinc/78/18/42/1178781842.db2.gz XXXWUGPUBNDGCA-INIZCTEOSA-N 0 3 320.433 3.002 20 30 DGEDHN C#CC[C@H](CCOC)NCc1cc(F)ccc1Br ZINC001335329557 1178896603 /nfs/dbraw/zinc/89/66/03/1178896603.db2.gz LSNPLOCFNXUPDZ-CYBMUJFWSA-N 0 3 314.198 3.106 20 30 DGEDHN C=CCN1CCC(Nc2cc(Cl)nc(C3CCC3)n2)CC1 ZINC001335434134 1178910506 /nfs/dbraw/zinc/91/05/06/1178910506.db2.gz VXJXLBZZEMCYPK-UHFFFAOYSA-N 0 3 306.841 3.460 20 30 DGEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@H](O)CC#N ZINC001335782542 1178954646 /nfs/dbraw/zinc/95/46/46/1178954646.db2.gz XUSQEYITUDFLGS-QMTHXVAHSA-N 0 3 319.405 3.183 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)C1CCC(OC)CC1 ZINC001341454270 1179010727 /nfs/dbraw/zinc/01/07/27/1179010727.db2.gz SGROLYQDSOAWMT-OFLPRAFFSA-N 0 3 312.498 3.480 20 30 DGEDHN COc1ccc2c(c1)[C@@H](NCc1cccc(OCC#N)c1)CC2 ZINC001341693289 1179049772 /nfs/dbraw/zinc/04/97/72/1179049772.db2.gz WFLMBTTTZJAZQI-IBGZPJMESA-N 0 3 308.381 3.375 20 30 DGEDHN N#CCCc1ccc(NC(=O)c2ccc3c(c2)CNCC3)cc1 ZINC001342516504 1179148348 /nfs/dbraw/zinc/14/83/48/1179148348.db2.gz BKAZNTZVYROTLY-UHFFFAOYSA-N 0 3 305.381 3.041 20 30 DGEDHN N#CC(C(=O)c1cnn(-c2ccccc2F)c1)c1cccc(F)n1 ZINC001342562499 1179153287 /nfs/dbraw/zinc/15/32/87/1179153287.db2.gz PBXCNPCCJRGCJV-GFCCVEGCSA-N 0 3 324.290 3.036 20 30 DGEDHN COc1ccc(Cl)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001342559787 1179153626 /nfs/dbraw/zinc/15/36/26/1179153626.db2.gz WRHHVNPAEFLNRT-LLVKDONJSA-N 0 3 304.708 3.373 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001343402632 1179267709 /nfs/dbraw/zinc/26/77/09/1179267709.db2.gz AROZHXDIHYCYMH-JSGCOSHPSA-N 0 3 313.426 3.345 20 30 DGEDHN CC(C)n1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)n1 ZINC001343744567 1179327349 /nfs/dbraw/zinc/32/73/49/1179327349.db2.gz SUVOLVUTIDTFTG-CYBMUJFWSA-N 0 3 324.409 3.493 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001343842999 1179336079 /nfs/dbraw/zinc/33/60/79/1179336079.db2.gz PZYCUJVDADTRPF-SFHVURJKSA-N 0 3 321.424 3.498 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nccn1Cc1ccccc1 ZINC001343843501 1179336266 /nfs/dbraw/zinc/33/62/66/1179336266.db2.gz VLRKDXFILVSRIO-IHRRRGAJSA-N 0 3 315.323 3.009 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(OCC(F)(F)F)n2)C1 ZINC001343995647 1179361300 /nfs/dbraw/zinc/36/13/00/1179361300.db2.gz YHCNQBGJDZVHIU-VXGBXAGGSA-N 0 3 313.323 3.195 20 30 DGEDHN CCn1ccnc1C(C#N)=C([O-])c1ccc(C[NH+](CC)CC)cc1 ZINC001344322816 1179413246 /nfs/dbraw/zinc/41/32/46/1179413246.db2.gz YYSJZHMKZYDYNW-KRWDZBQOSA-N 0 3 324.428 3.235 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)nc2Cl)CC1 ZINC001344761528 1179474290 /nfs/dbraw/zinc/47/42/90/1179474290.db2.gz LFILSDIOGKJAED-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN CCC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC001345604566 1179577760 /nfs/dbraw/zinc/57/77/60/1179577760.db2.gz BUYUGLCACQBUTQ-QGZVFWFLSA-N 0 3 322.412 3.413 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1cc(C)ccc1C ZINC001346095493 1179651650 /nfs/dbraw/zinc/65/16/50/1179651650.db2.gz FHKFMHGMQJRMSA-MRXNPFEDSA-N 0 3 323.396 3.359 20 30 DGEDHN C[C@@H]1C(=O)CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1(C)C ZINC001347995442 1179824769 /nfs/dbraw/zinc/82/47/69/1179824769.db2.gz ZPBAQHJGAVRIFS-YUSALJHKSA-N 0 3 320.339 3.177 20 30 DGEDHN C[C@@H]1C(=O)CC[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)C1(C)C ZINC001347995440 1179825383 /nfs/dbraw/zinc/82/53/83/1179825383.db2.gz ZPBAQHJGAVRIFS-JLLWLGSASA-N 0 3 320.339 3.177 20 30 DGEDHN C[C@H](CC#Cc1cccnc1)OC(=O)c1cccc(CN(C)C)c1 ZINC001348620781 1179842064 /nfs/dbraw/zinc/84/20/64/1179842064.db2.gz ZJANKPCDIDHSMX-MRXNPFEDSA-N 0 3 322.408 3.130 20 30 DGEDHN CCCCCCCCCCNC(=S)N(C)CCN(C)C ZINC001200211032 1180454976 /nfs/dbraw/zinc/45/49/76/1180454976.db2.gz PUGQZFHVKQSXNH-UHFFFAOYSA-N 0 3 301.544 3.495 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001353598074 1180602386 /nfs/dbraw/zinc/60/23/86/1180602386.db2.gz GSWSTBVXDLQCCS-KRWDZBQOSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001353598076 1180602731 /nfs/dbraw/zinc/60/27/31/1180602731.db2.gz GSWSTBVXDLQCCS-QGZVFWFLSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCN(C(=S)NCCN1CCCCC1)C1CCCCC1 ZINC001200429112 1180635164 /nfs/dbraw/zinc/63/51/64/1180635164.db2.gz URZGEUWSHCKPQN-UHFFFAOYSA-N 0 3 309.523 3.168 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001100392605 1180644285 /nfs/dbraw/zinc/64/42/85/1180644285.db2.gz QMFZREYHFHZMJV-PNESKVBLSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100586870 1180824812 /nfs/dbraw/zinc/82/48/12/1180824812.db2.gz ATFNBJGIOAAMTO-UQPPLGOBSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2cccc(Cl)n2)C1 ZINC001100622277 1180859079 /nfs/dbraw/zinc/85/90/79/1180859079.db2.gz IPRPQQVGXLTEQB-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN N#Cc1cc(NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])s1 ZINC001472835018 1180898993 /nfs/dbraw/zinc/89/89/93/1180898993.db2.gz SEAVDVLUGKXSEI-LBPRGKRZSA-N 0 3 320.418 3.347 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC001356578330 1181218535 /nfs/dbraw/zinc/21/85/35/1181218535.db2.gz MLDCCNRKUMCKOL-STQMWFEESA-N 0 3 321.302 3.333 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC001356577988 1181218867 /nfs/dbraw/zinc/21/88/67/1181218867.db2.gz JRCAPFVIYZBFDV-CYBMUJFWSA-N 0 3 319.817 3.432 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC001357504113 1181402980 /nfs/dbraw/zinc/40/29/80/1181402980.db2.gz XTGKIGIWJNDBPC-MSOLQXFVSA-N 0 3 324.509 3.482 20 30 DGEDHN N#CC(C(=O)Cc1ccccc1)c1nccn1Cc1ccccc1 ZINC001357556323 1181408500 /nfs/dbraw/zinc/40/85/00/1181408500.db2.gz KLFBJSFFHYJYRB-SFHVURJKSA-N 0 3 315.376 3.350 20 30 DGEDHN N#CC(C(=O)c1c[nH]nc1-c1ccccc1)c1cccc(F)n1 ZINC001357640449 1181414854 /nfs/dbraw/zinc/41/48/54/1181414854.db2.gz ZTMHQKJALCWUPY-LBPRGKRZSA-N 0 3 306.300 3.101 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(CCc2ccccc2)CC1 ZINC001357740922 1181423559 /nfs/dbraw/zinc/42/35/59/1181423559.db2.gz HXDRKSCAKOHXDD-QGZVFWFLSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1nc2ccccc2n1CC1CC1 ZINC001358149900 1181461784 /nfs/dbraw/zinc/46/17/84/1181461784.db2.gz UQQIHWBKAMKKKO-AWEZNQCLSA-N 0 3 312.417 3.068 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC001358434406 1181493374 /nfs/dbraw/zinc/49/33/74/1181493374.db2.gz ZVDYUPIXVKIKSZ-JBCIKUTRSA-N 0 3 310.482 3.138 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ncccc1C)C(C)(C)C ZINC001358452782 1181495766 /nfs/dbraw/zinc/49/57/66/1181495766.db2.gz MEJNOIOSHZZGAH-GDBMZVCRSA-N 0 3 303.450 3.277 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC001359846810 1181609802 /nfs/dbraw/zinc/60/98/02/1181609802.db2.gz APJVNCMJEYMZBK-UHFFFAOYSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2c(cccc2F)s1 ZINC001568503368 1181700483 /nfs/dbraw/zinc/70/04/83/1181700483.db2.gz ADTSTSNIGFYBLG-UHFFFAOYSA-N 0 3 306.406 3.230 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc2ccccc2n1 ZINC001448873910 1182217445 /nfs/dbraw/zinc/21/74/45/1182217445.db2.gz HIOILQUUJMICMX-OUKQBFOZSA-N 0 3 323.440 3.214 20 30 DGEDHN C[C@@H](C(=O)N([O-])CCCCc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001457992492 1182488627 /nfs/dbraw/zinc/48/86/27/1182488627.db2.gz IFONTQQMIVRSQC-ZACQAIPSSA-N 0 3 318.461 3.488 20 30 DGEDHN CC(C)[C@H]1C[C@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC001458702876 1182550182 /nfs/dbraw/zinc/55/01/82/1182550182.db2.gz MJZMUHNQMBIXIZ-GOEBONIOSA-N 0 3 318.852 3.306 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)CCSC(F)(F)F ZINC001460184491 1182661395 /nfs/dbraw/zinc/66/13/95/1182661395.db2.gz KHNPWQQZRGINJI-UHFFFAOYSA-N 0 3 318.364 3.260 20 30 DGEDHN CCC1(CC)CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC001460415136 1182688308 /nfs/dbraw/zinc/68/83/08/1182688308.db2.gz JLANNYROZCPQNN-DOTOQJQBSA-N 0 3 307.482 3.332 20 30 DGEDHN C[C@H]1CCC[C@@H](CCN2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001460745588 1182717494 /nfs/dbraw/zinc/71/74/94/1182717494.db2.gz RKVDCXHIQSKWBQ-IRXDYDNUSA-N 0 3 312.461 3.292 20 30 DGEDHN Cn1nccc1C[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC001460968967 1182747236 /nfs/dbraw/zinc/74/72/36/1182747236.db2.gz AXSMGRSBCIJTJU-INIZCTEOSA-N 0 3 314.820 3.152 20 30 DGEDHN CCc1ccc2c(c1)CCN(C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC001460970232 1182748108 /nfs/dbraw/zinc/74/81/08/1182748108.db2.gz DTUHXTFYMSYOBQ-HXUWFJFHSA-N 0 3 306.409 3.212 20 30 DGEDHN C#C[C@@H](NCc1ccc(C(=O)OCc2ccccc2)[nH]1)C(C)C ZINC001462217862 1182924991 /nfs/dbraw/zinc/92/49/91/1182924991.db2.gz GIDADFRNEVPEIS-QGZVFWFLSA-N 0 3 310.397 3.119 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1cccc(F)c1 ZINC001467727506 1183284491 /nfs/dbraw/zinc/28/44/91/1183284491.db2.gz JNWCYKUOQDMVET-SQFISAMPSA-N 0 3 304.409 3.195 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001468029896 1183306198 /nfs/dbraw/zinc/30/61/98/1183306198.db2.gz VIYJHASWDXHGLQ-KRWDZBQOSA-N 0 3 315.461 3.162 20 30 DGEDHN C=C1CN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC)C1 ZINC001470131605 1183463720 /nfs/dbraw/zinc/46/37/20/1183463720.db2.gz FAGNCNBBAOJNMR-MRXNPFEDSA-N 0 3 321.852 3.304 20 30 DGEDHN CC[C@@H]1CN(CC)CCN1c1ccc(C#N)c(Br)c1 ZINC001472782205 1183680562 /nfs/dbraw/zinc/68/05/62/1183680562.db2.gz SENOOFVCHINKPM-CYBMUJFWSA-N 0 3 322.250 3.241 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001473581121 1183776351 /nfs/dbraw/zinc/77/63/51/1183776351.db2.gz IJZGKXAETJWKSA-RBUKOAKNSA-N 0 3 324.468 3.452 20 30 DGEDHN CC(C)CCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001473623653 1183782718 /nfs/dbraw/zinc/78/27/18/1183782718.db2.gz UVYNFMKJQSPIEP-UHFFFAOYSA-N 0 3 323.444 3.116 20 30 DGEDHN C=CCCCN(CC)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001473861809 1183814736 /nfs/dbraw/zinc/81/47/36/1183814736.db2.gz MWRUTHHROSCFIR-OAHLLOKOSA-N 0 3 308.372 3.358 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@H]1CCCO1 ZINC001473885185 1183819235 /nfs/dbraw/zinc/81/92/35/1183819235.db2.gz SBTYILNPEVJECY-DLBZAZTESA-N 0 3 300.402 3.100 20 30 DGEDHN C=CCCOCCNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC001474101699 1183867415 /nfs/dbraw/zinc/86/74/15/1183867415.db2.gz OEPICPKYEYDVTJ-UHFFFAOYSA-N 0 3 311.447 3.386 20 30 DGEDHN N#CCc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1 ZINC001474192112 1183879845 /nfs/dbraw/zinc/87/98/45/1183879845.db2.gz KTWZAUPZUJWPLS-UHFFFAOYSA-N 0 3 302.381 3.433 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001478591491 1184162640 /nfs/dbraw/zinc/16/26/40/1184162640.db2.gz OZWNOGOJLUMDKM-MRXNPFEDSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CC[C@@H]1CCCCO1 ZINC001479239742 1184214143 /nfs/dbraw/zinc/21/41/43/1184214143.db2.gz WNICFLZCDCRQOI-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001479318930 1184232768 /nfs/dbraw/zinc/23/27/68/1184232768.db2.gz BLBDEXRJZQWJJQ-VBQJREDUSA-N 0 3 321.490 3.038 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001479420829 1184250156 /nfs/dbraw/zinc/25/01/56/1184250156.db2.gz KNVUHKHQFRWAOO-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)[C@H]1CC ZINC001479647326 1184284574 /nfs/dbraw/zinc/28/45/74/1184284574.db2.gz KRUIMWXYZWDPBF-JCGIZDLHSA-N 0 3 318.436 3.474 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001479667310 1184286687 /nfs/dbraw/zinc/28/66/87/1184286687.db2.gz PCRGVDAJLTWSAR-KGLIPLIRSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001479739064 1184306764 /nfs/dbraw/zinc/30/67/64/1184306764.db2.gz PUTKNERGIQFEOP-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)CC(C)(C)C1 ZINC001479743870 1184311720 /nfs/dbraw/zinc/31/17/20/1184311720.db2.gz AWEKVFXTWKNPSH-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(C)c(Cl)cc1C ZINC001479788355 1184325450 /nfs/dbraw/zinc/32/54/50/1184325450.db2.gz PYRBCQLZYGOUFX-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001479799556 1184329789 /nfs/dbraw/zinc/32/97/89/1184329789.db2.gz GJFLIPWNMIUFAM-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001479959701 1184390589 /nfs/dbraw/zinc/39/05/89/1184390589.db2.gz FRUITNGNPWZQPY-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001479988402 1184404559 /nfs/dbraw/zinc/40/45/59/1184404559.db2.gz PIVHJXQIABCGOB-SJORKVTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCOC(C)C)CC1 ZINC001479991043 1184405592 /nfs/dbraw/zinc/40/55/92/1184405592.db2.gz WNCMUVXTMVAJFZ-UHFFFAOYSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC001479996691 1184406796 /nfs/dbraw/zinc/40/67/96/1184406796.db2.gz RCNRXUWWKNJHFC-FUHWJXTLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001480330294 1184496208 /nfs/dbraw/zinc/49/62/08/1184496208.db2.gz MRKWFBHISVXMSL-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001480357974 1184504554 /nfs/dbraw/zinc/50/45/54/1184504554.db2.gz IZCXFJSYCSTJSS-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001480394389 1184519658 /nfs/dbraw/zinc/51/96/58/1184519658.db2.gz QUPNPSDILKJHTE-HGSSYPRQSA-N 0 3 324.468 3.349 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480560861 1184548156 /nfs/dbraw/zinc/54/81/56/1184548156.db2.gz GIVDJMPZLUXNGK-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(Cc2ccccc2)CC1 ZINC001480771398 1184602826 /nfs/dbraw/zinc/60/28/26/1184602826.db2.gz SISULPZHMJWUMT-HNNXBMFYSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)cc(Cl)c1 ZINC001480779677 1184605214 /nfs/dbraw/zinc/60/52/14/1184605214.db2.gz KACWZPVKTBFNQN-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2nc(C)sc2C)C1 ZINC001480789415 1184608907 /nfs/dbraw/zinc/60/89/07/1184608907.db2.gz CTMQYHVXUBZDFZ-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](c1cccnc1)C(C)C ZINC001480799238 1184611514 /nfs/dbraw/zinc/61/15/14/1184611514.db2.gz REHVJCHGAUQIES-HOCLYGCPSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cncc(C)c1 ZINC001480818003 1184618146 /nfs/dbraw/zinc/61/81/46/1184618146.db2.gz IPVHAJNILFWSTR-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CC1(CC(=O)NC[C@H]2CCCN2CCOCC)CCCCC1 ZINC001493139476 1184656232 /nfs/dbraw/zinc/65/62/32/1184656232.db2.gz HJTLQMGWDWNSKP-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCN(CCNC(=O)C1CCCC1)Cc1ccc(C#N)cc1 ZINC001493271355 1184679251 /nfs/dbraw/zinc/67/92/51/1184679251.db2.gz XSMSQWQBVOECCE-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001493334676 1184688885 /nfs/dbraw/zinc/68/88/85/1184688885.db2.gz WWZLOAAZKIGJQA-INIZCTEOSA-N 0 3 318.436 3.171 20 30 DGEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CCC1CCCC1 ZINC001493464761 1184711530 /nfs/dbraw/zinc/71/15/30/1184711530.db2.gz LRZXANYUADTXDZ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C=C)cc1)c1ccccc1 ZINC001493900575 1184762180 /nfs/dbraw/zinc/76/21/80/1184762180.db2.gz YEXIEOBHZXRWMJ-HXUWFJFHSA-N 0 3 318.420 3.414 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1sc(C)nc1C)c1ccccc1 ZINC001493902301 1184762404 /nfs/dbraw/zinc/76/24/04/1184762404.db2.gz AFAMVPBFBAKSJN-HNNXBMFYSA-N 0 3 315.442 3.007 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(CC)CC)c1ccccc1 ZINC001493905671 1184762972 /nfs/dbraw/zinc/76/29/72/1184762972.db2.gz XAXQOOBWLFEJCZ-KRWDZBQOSA-N 0 3 300.446 3.283 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCCCF)C1 ZINC001493923670 1184764462 /nfs/dbraw/zinc/76/44/62/1184764462.db2.gz NKXWEYOAPKHSHR-IYBDPMFKSA-N 0 3 308.441 3.158 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001493973621 1184781872 /nfs/dbraw/zinc/78/18/72/1184781872.db2.gz LUNHTWZAQOXJCS-IBGZPJMESA-N 0 3 312.457 3.253 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001494326415 1184856082 /nfs/dbraw/zinc/85/60/82/1184856082.db2.gz OOBPHQUGLOUZPV-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(CCc2ccc(C)cc2)C1 ZINC001494584541 1184890738 /nfs/dbraw/zinc/89/07/38/1184890738.db2.gz SPWVINBTVUVPRH-KRWDZBQOSA-N 0 3 314.473 3.188 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1Cl ZINC001494649997 1184900094 /nfs/dbraw/zinc/90/00/94/1184900094.db2.gz KMMUCSVGRLOSGE-AVGNSLFASA-N 0 3 308.809 3.186 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001494722876 1184912684 /nfs/dbraw/zinc/91/26/84/1184912684.db2.gz QSLRJBQLQHWVTB-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001494726260 1184914298 /nfs/dbraw/zinc/91/42/98/1184914298.db2.gz BMQGTFDPRMUXGX-ROUUACIJSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001494775577 1184923855 /nfs/dbraw/zinc/92/38/55/1184923855.db2.gz AUXMWZUSXWASDA-QGZVFWFLSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001494873751 1184950874 /nfs/dbraw/zinc/95/08/74/1184950874.db2.gz CGGGJIPGEVZQBD-QZTJIDSGSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001494885431 1184953880 /nfs/dbraw/zinc/95/38/80/1184953880.db2.gz SQLFCSQDXTVYHZ-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN CC[C@H](CNC(=O)C12CCC(CC1)C2)NCC#Cc1ccccc1 ZINC001495006921 1184978553 /nfs/dbraw/zinc/97/85/53/1184978553.db2.gz ZIPCJPGOYSOPRB-OBXNSHGQSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H](CC)C(C)C)cc1 ZINC001495497256 1185064227 /nfs/dbraw/zinc/06/42/27/1185064227.db2.gz HAGIKZSOKAEEEQ-LJQANCHMSA-N 0 3 314.473 3.488 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(F)cc2C)cc1 ZINC001495496908 1185064982 /nfs/dbraw/zinc/06/49/82/1185064982.db2.gz AGHIWPGPRBGTHC-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C(C)(C)C(C)(F)F)CCCC1 ZINC001495958081 1185118088 /nfs/dbraw/zinc/11/80/88/1185118088.db2.gz ITOPRKSUKUILRC-UHFFFAOYSA-N 0 3 322.827 3.439 20 30 DGEDHN CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001496144741 1185140161 /nfs/dbraw/zinc/14/01/61/1185140161.db2.gz WKBLFWAOGMFONO-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CC(C)(C)C1CC1)C(C)C ZINC001496551626 1185212515 /nfs/dbraw/zinc/21/25/15/1185212515.db2.gz KKUBKZORZREGHI-AWEZNQCLSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1scnc1C(C)C ZINC001497285569 1185309843 /nfs/dbraw/zinc/30/98/43/1185309843.db2.gz MDEGDTKDZWWTGE-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN C=CCCC(=O)N(CC)CCNCc1ccc(Cl)c(F)c1 ZINC001497359182 1185321281 /nfs/dbraw/zinc/32/12/81/1185321281.db2.gz SOZSKFJBFWEAHD-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=CCC1(C(=O)N(CC)CCNCc2ccsc2)CCC1 ZINC001497447120 1185334070 /nfs/dbraw/zinc/33/40/70/1185334070.db2.gz IJSFZJJMWSGLBY-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2cc(F)cc(F)c2)C1 ZINC001497451851 1185336214 /nfs/dbraw/zinc/33/62/14/1185336214.db2.gz WVSOPRZJRSKNIS-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C[C@@]1(C(=O)NC/C=C/CNCc2ccc(C#N)cc2)CC=CCC1 ZINC001497591184 1185359384 /nfs/dbraw/zinc/35/93/84/1185359384.db2.gz TXHUKJIMSKXBAM-RRFGBZISSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001497684940 1185375372 /nfs/dbraw/zinc/37/53/72/1185375372.db2.gz HKWIEJTZFKXQCW-VOTSOKGWSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2ccc(Cl)nc2)CC1 ZINC001497906287 1185407926 /nfs/dbraw/zinc/40/79/26/1185407926.db2.gz ZTJZRJOUFPVFFF-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001498037772 1185428142 /nfs/dbraw/zinc/42/81/42/1185428142.db2.gz BPHSJGRYJBKODC-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC001498265815 1185459772 /nfs/dbraw/zinc/45/97/72/1185459772.db2.gz GRRLGBVXUIOLHN-INIZCTEOSA-N 0 3 312.457 3.304 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)Cc2ccc(C)c(F)c2)C1 ZINC001498375752 1185481472 /nfs/dbraw/zinc/48/14/72/1185481472.db2.gz GSEKVZHFMIQDHQ-HNNXBMFYSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001498374231 1185481835 /nfs/dbraw/zinc/48/18/35/1185481835.db2.gz DDUWRKRCDQMRNT-BEFAXECRSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001498657546 1185529430 /nfs/dbraw/zinc/52/94/30/1185529430.db2.gz KBMOMAYPHVAHFN-HNNXBMFYSA-N 0 3 308.853 3.289 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001499005777 1185590410 /nfs/dbraw/zinc/59/04/10/1185590410.db2.gz QIFDCGJYHZWASS-IEBWSBKVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001499020751 1185592935 /nfs/dbraw/zinc/59/29/35/1185592935.db2.gz IKCNMPVUMRBECU-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001499013412 1185592972 /nfs/dbraw/zinc/59/29/72/1185592972.db2.gz SQZQVBQXZWQORD-CVEARBPZSA-N 0 3 315.461 3.364 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001499074353 1185605152 /nfs/dbraw/zinc/60/51/52/1185605152.db2.gz RQDBXKZMRDUHAY-MOPGFXCFSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC001499081706 1185607314 /nfs/dbraw/zinc/60/73/14/1185607314.db2.gz FWHBDSSWVDQZRA-LSDHHAIUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001499111734 1185613106 /nfs/dbraw/zinc/61/31/06/1185613106.db2.gz GXOSMYXKJQQTBK-WMZOPIPTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(Cl)c(OC)c2)CC1 ZINC001499177204 1185622502 /nfs/dbraw/zinc/62/25/02/1185622502.db2.gz LMVSOANZXAOUKK-UHFFFAOYSA-N 0 3 322.836 3.053 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2ccc(C(C)C)cc2)CC1 ZINC001499220563 1185627670 /nfs/dbraw/zinc/62/76/70/1185627670.db2.gz BTGJIODAUSKEQA-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cccc3cccnc32)CC1 ZINC001499335023 1185639080 /nfs/dbraw/zinc/63/90/80/1185639080.db2.gz MPHHPPFDRRDXDT-UHFFFAOYSA-N 0 3 323.440 3.330 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC001499991150 1185727874 /nfs/dbraw/zinc/72/78/74/1185727874.db2.gz QGZAYJSILIHZTC-UHFFFAOYSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)C1CCN(CC(=C)C)CC1 ZINC001500037299 1185732645 /nfs/dbraw/zinc/73/26/45/1185732645.db2.gz DVOFYHGZJJVLIT-IAGOWNOFSA-N 0 3 320.452 3.017 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC(C)(C)C1)C1CCN(CC(=C)C)CC1 ZINC001500047783 1185733916 /nfs/dbraw/zinc/73/39/16/1185733916.db2.gz XRNANHWQLQIOQJ-QGZVFWFLSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)CCCC1CC1)C1CCN(CC(=C)C)CC1 ZINC001500048911 1185734236 /nfs/dbraw/zinc/73/42/36/1185734236.db2.gz YEDDKPHTYAXRSM-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001500263250 1185766188 /nfs/dbraw/zinc/76/61/88/1185766188.db2.gz AQCLEVZHRBLKJI-RDTXWAMCSA-N 0 3 320.864 3.285 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)C)c1ccccc1CC ZINC001501021404 1185857027 /nfs/dbraw/zinc/85/70/27/1185857027.db2.gz GKWIAZUMYFQXBL-KRWDZBQOSA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ncccc1C)c1ccccc1CC ZINC001501019194 1185857510 /nfs/dbraw/zinc/85/75/10/1185857510.db2.gz MIYFZTTUQJMJFX-SFHVURJKSA-N 0 3 323.440 3.199 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1CC12CC2)c1ccccc1CC ZINC001501022300 1185857610 /nfs/dbraw/zinc/85/76/10/1185857610.db2.gz NXBBULNDNDNWET-ROUUACIJSA-N 0 3 312.457 3.372 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC1(C)C ZINC001501198176 1185882646 /nfs/dbraw/zinc/88/26/46/1185882646.db2.gz XZLBHDPTVLAIFQ-SFHVURJKSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1(C2CCC2)CCC1 ZINC001501196094 1185882696 /nfs/dbraw/zinc/88/26/96/1185882696.db2.gz PWXFZGCXMJXNEE-UHFFFAOYSA-N 0 3 324.468 3.208 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(CC)CC ZINC001501391951 1185897900 /nfs/dbraw/zinc/89/79/00/1185897900.db2.gz VAPGZPKWUZOLQV-BPQIPLTHSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(CC)CC ZINC001501391954 1185898219 /nfs/dbraw/zinc/89/82/19/1185898219.db2.gz VAPGZPKWUZOLQV-CGTJXYLNSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001501603924 1185911848 /nfs/dbraw/zinc/91/18/48/1185911848.db2.gz HTHIREPVSSBGOS-HZPDHXFCSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C(/C)C2CC2)cc1 ZINC001501673285 1185919720 /nfs/dbraw/zinc/91/97/20/1185919720.db2.gz NXPRDLLGRYOZFF-UGEDRFTOSA-N 0 3 310.441 3.333 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001501737231 1185927803 /nfs/dbraw/zinc/92/78/03/1185927803.db2.gz MYAUKIYSOXDQGA-YHYXMXQVSA-N 0 3 322.880 3.432 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C(C)(C)CC)cccc2C1 ZINC001501854413 1185932351 /nfs/dbraw/zinc/93/23/51/1185932351.db2.gz QWHWHIBSYCGIFN-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccsc2)CCC1 ZINC001501988776 1185944036 /nfs/dbraw/zinc/94/40/36/1185944036.db2.gz PMEKZMOVNWAYIY-UHFFFAOYSA-N 0 3 306.475 3.479 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(F)c(F)c2)CCC1 ZINC001501994691 1185944646 /nfs/dbraw/zinc/94/46/46/1185944646.db2.gz JYOSZTCXAZSEKD-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cnccc2C)CCC1 ZINC001502003474 1185945917 /nfs/dbraw/zinc/94/59/17/1185945917.db2.gz VNSIRCHRWXSMGJ-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@H](c2ccccc2)C(C)C)CCC1 ZINC001502016498 1185947635 /nfs/dbraw/zinc/94/76/35/1185947635.db2.gz MISHAWKQGGDGOB-SFHVURJKSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001502358006 1185973203 /nfs/dbraw/zinc/97/32/03/1185973203.db2.gz GJBAFSRLRASWDB-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN C#CCCCCC(=O)NCc1ccc2c(c1)CN(CC(C)C)C2 ZINC001502649060 1185999396 /nfs/dbraw/zinc/99/93/96/1185999396.db2.gz ZSFGGJQSMCVJMZ-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccsc2)C(C)(C)C1 ZINC001502829487 1186020814 /nfs/dbraw/zinc/02/08/14/1186020814.db2.gz VUIBGZLVFCLPMI-HNNXBMFYSA-N 0 3 306.475 3.083 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001502922412 1186028774 /nfs/dbraw/zinc/02/87/74/1186028774.db2.gz GVPRFSHPOWSHSM-MAUKXSAKSA-N 0 3 316.420 3.098 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC(C2CCC2)C2CCC2)C[C@@H]1C ZINC001502985242 1186034019 /nfs/dbraw/zinc/03/40/19/1186034019.db2.gz FFVKJIXUXRLPMF-MAUKXSAKSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1conc1C1CCCC1 ZINC001505434042 1186078789 /nfs/dbraw/zinc/07/87/89/1186078789.db2.gz JSNZWHOCAVXRFM-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](C)c2ccco2)C1 ZINC001505529519 1186098804 /nfs/dbraw/zinc/09/88/04/1186098804.db2.gz JVHMHBTZQKWBGY-XGNXJENSSA-N 0 3 310.825 3.010 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001505547162 1186101614 /nfs/dbraw/zinc/10/16/14/1186101614.db2.gz GOXZHJUKDBWMNQ-CABCVRRESA-N 0 3 320.864 3.220 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC001505910595 1186161994 /nfs/dbraw/zinc/16/19/94/1186161994.db2.gz WGOWPMLIPAJCOQ-AWEZNQCLSA-N 0 3 322.399 3.364 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001505995027 1186177833 /nfs/dbraw/zinc/17/78/33/1186177833.db2.gz QCIGJUYEIFGGRY-KXBFYZLASA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001506648593 1186268273 /nfs/dbraw/zinc/26/82/73/1186268273.db2.gz FKYPGHFHXULPSV-KRWDZBQOSA-N 0 3 314.473 3.167 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CCCC2CCCC2)C(C)(C)C1 ZINC001506751192 1186287879 /nfs/dbraw/zinc/28/78/79/1186287879.db2.gz BNQNBQAAMZTPLM-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](CC)CCCCC)C(C)(C)C1 ZINC001506752149 1186287954 /nfs/dbraw/zinc/28/79/54/1186287954.db2.gz HEGZTMKRMXZGKA-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001506850917 1186295658 /nfs/dbraw/zinc/29/56/58/1186295658.db2.gz CEBVWRRDNZDVDG-RBSFLKMASA-N 0 3 310.869 3.168 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C[C@H](C=C)c3ccccc3)C2)C1 ZINC001506865862 1186299785 /nfs/dbraw/zinc/29/97/85/1186299785.db2.gz QUOAVWFIRGKPBS-SFHVURJKSA-N 0 3 324.468 3.457 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001506906187 1186308448 /nfs/dbraw/zinc/30/84/48/1186308448.db2.gz IBTZTIYARFCTPX-RBSFLKMASA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1sccc1C ZINC001506909222 1186309034 /nfs/dbraw/zinc/30/90/34/1186309034.db2.gz DFRBUDCBAXZHSG-LBPRGKRZSA-N 0 3 300.855 3.297 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](CC)CC1CCCCC1 ZINC001507128036 1186367912 /nfs/dbraw/zinc/36/79/12/1186367912.db2.gz AGTDAFFRLNPMQC-SJLPKXTDSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001507157847 1186374856 /nfs/dbraw/zinc/37/48/56/1186374856.db2.gz AEEIRLKUCXRLGJ-QAPCUYQASA-N 0 3 318.436 3.025 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C1CCCCC1 ZINC001507301306 1186384686 /nfs/dbraw/zinc/38/46/86/1186384686.db2.gz QVJALFHAJKVSJX-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC001507385926 1186413360 /nfs/dbraw/zinc/41/33/60/1186413360.db2.gz KRWFEGGNNTUXBX-ZIAGYGMSSA-N 0 3 321.490 3.254 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(F)c(Cl)c1)C(C)C ZINC001507831487 1186447805 /nfs/dbraw/zinc/44/78/05/1186447805.db2.gz OPLYQNYIBWXOCW-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C(C)C)on1)C(C)C ZINC001507826285 1186447903 /nfs/dbraw/zinc/44/79/03/1186447903.db2.gz YDFUQXKOKPVODS-UHFFFAOYSA-N 0 3 307.438 3.157 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](F)c1ccccc1)C(C)C ZINC001507841666 1186448566 /nfs/dbraw/zinc/44/85/66/1186448566.db2.gz NWVRIKCFLZAADX-KRWDZBQOSA-N 0 3 306.425 3.442 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(C)=C(C)C)CC[C@H]1C(F)(F)F ZINC001508084501 1186479334 /nfs/dbraw/zinc/47/93/34/1186479334.db2.gz HYMWTQUZVZJKDM-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)OC2CCCCCC2)CC1 ZINC001508218465 1186491309 /nfs/dbraw/zinc/49/13/09/1186491309.db2.gz HHXSRHVCYRGPMN-INIZCTEOSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(c3cccc(C)c3)CCC2)CC1 ZINC001508215604 1186491409 /nfs/dbraw/zinc/49/14/09/1186491409.db2.gz RRJRLVOHBBZAJJ-UHFFFAOYSA-N 0 3 324.468 3.351 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC001521900986 1187056556 /nfs/dbraw/zinc/05/65/56/1187056556.db2.gz WTBOPPLLSYTQEU-ZFWWWQNUSA-N 0 3 302.409 3.322 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001522229598 1187070773 /nfs/dbraw/zinc/07/07/73/1187070773.db2.gz CHNJHIKLHHFKFP-QGZVFWFLSA-N 0 3 309.413 3.048 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC001522310244 1187074542 /nfs/dbraw/zinc/07/45/42/1187074542.db2.gz AGBSZKFVKNUHAH-GFCCVEGCSA-N 0 3 302.296 3.049 20 30 DGEDHN N#Cc1cc(NC(=O)c2cc3c(s2)CNCC3)ccc1C1CC1 ZINC001522460244 1187082659 /nfs/dbraw/zinc/08/26/59/1187082659.db2.gz NWTCULRMNVXLTL-UHFFFAOYSA-N 0 3 323.421 3.395 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCc2ccccc2C1 ZINC001526586917 1187376896 /nfs/dbraw/zinc/37/68/96/1187376896.db2.gz GWHZDPASFZNUHT-KBPBESRZSA-N 0 3 313.788 3.055 20 30 DGEDHN C=CCN1CC[C@H](N(CCc2ccccc2F)[C@@H](C)CC)C1=O ZINC001615323933 1193520269 /nfs/dbraw/zinc/52/02/69/1193520269.db2.gz YIXQZPNSERKYHS-YJBOKZPZSA-N 0 3 318.436 3.256 20 30 DGEDHN Cc1cc(C(=O)NCCN(C)Cc2ccccc2)cc(C)c1C#N ZINC001534993544 1187931697 /nfs/dbraw/zinc/93/16/97/1187931697.db2.gz YBNUZMHHEXCAEV-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC001615961886 1193531561 /nfs/dbraw/zinc/53/15/61/1193531561.db2.gz URHKUDJKTSWAAG-PMACEKPBSA-N 0 3 321.424 3.168 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1 ZINC001542840423 1188306885 /nfs/dbraw/zinc/30/68/85/1188306885.db2.gz IMYUWOYSUYGXGP-UHFFFAOYSA-N 0 3 320.436 3.180 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CN(C)CC(C)(C)C ZINC001543382124 1188329937 /nfs/dbraw/zinc/32/99/37/1188329937.db2.gz ZCPXUNKIYRJZQW-UHFFFAOYSA-N 0 3 318.461 3.188 20 30 DGEDHN C=CC[C@H]1N(Cc2cncc(C(=O)OC)c2)CCCC1(C)C ZINC001617604596 1193575036 /nfs/dbraw/zinc/57/50/36/1193575036.db2.gz VCKWMTWRCIOOFM-MRXNPFEDSA-N 0 3 302.418 3.435 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001566880584 1188972511 /nfs/dbraw/zinc/97/25/11/1188972511.db2.gz ABNFRGIIJZXCJC-MSOLQXFVSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1csc2c1CCCC2 ZINC001556466112 1189001939 /nfs/dbraw/zinc/00/19/39/1189001939.db2.gz JNSXJLPWCYKFBR-UHFFFAOYSA-N 0 3 306.475 3.207 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C(C)=C/c1ccc(C)cc1 ZINC001556467040 1189003006 /nfs/dbraw/zinc/00/30/06/1189003006.db2.gz XLWQTSZNVZXMSE-BMRADRMJSA-N 0 3 300.446 3.365 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC)Oc1ccccc1C ZINC001556466467 1189003027 /nfs/dbraw/zinc/00/30/27/1189003027.db2.gz ZJIUQKLTILHRPG-QGZVFWFLSA-N 0 3 318.461 3.119 20 30 DGEDHN CC#CCNCCN(C)C(=O)[C@H](CC1CCCCC1)C(C)C ZINC001567569663 1189074882 /nfs/dbraw/zinc/07/48/82/1189074882.db2.gz YZBWEVQQRGFCOD-GOSISDBHSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)CCC(F)F ZINC001565939757 1189138030 /nfs/dbraw/zinc/13/80/30/1189138030.db2.gz UVQDRKFITRJZPX-YPMHNXCESA-N 0 3 322.827 3.391 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001559982997 1189266065 /nfs/dbraw/zinc/26/60/65/1189266065.db2.gz CNYSPLOZXNKUNI-CABCVRRESA-N 0 3 304.409 3.291 20 30 DGEDHN CCc1ccc(CN2CCN(CCCSCC#N)CC2)cc1 ZINC001560105829 1189279343 /nfs/dbraw/zinc/27/93/43/1189279343.db2.gz UDAMPWJBZRAZJM-UHFFFAOYSA-N 0 3 317.502 3.013 20 30 DGEDHN C=C[C@H](CO)NCc1cn(Cc2ccccc2)c2ccccc12 ZINC001560541540 1189338618 /nfs/dbraw/zinc/33/86/18/1189338618.db2.gz ZHDFAPZUAUYPRE-GOSISDBHSA-N 0 3 306.409 3.326 20 30 DGEDHN C=CC(C)(C)CCCNCc1c(Br)cnn1C ZINC001560578627 1189343767 /nfs/dbraw/zinc/34/37/67/1189343767.db2.gz AKWQIRQLYUXCQQ-UHFFFAOYSA-N 0 3 300.244 3.265 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)Cc2cccc(Cl)c2)c(F)c1 ZINC001560577715 1189344083 /nfs/dbraw/zinc/34/40/83/1189344083.db2.gz MNDNWKBFPGKPHX-MRXNPFEDSA-N 0 3 318.779 3.044 20 30 DGEDHN C#C[C@@H](C)NCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001560822921 1189389199 /nfs/dbraw/zinc/38/91/99/1189389199.db2.gz OQHPJJGHAVEDQA-GFCCVEGCSA-N 0 3 320.458 3.153 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CC(Cc2ccccc2)C1 ZINC001560874559 1189397984 /nfs/dbraw/zinc/39/79/84/1189397984.db2.gz DIWIPLFUBZIBAJ-UHFFFAOYSA-N 0 3 305.425 3.299 20 30 DGEDHN C=CCCSCCNCc1c2ccccc2[nH]c1C(=O)OC ZINC001560922508 1189405583 /nfs/dbraw/zinc/40/55/83/1189405583.db2.gz YGDLTSXTQRSJHJ-UHFFFAOYSA-N 0 3 318.442 3.353 20 30 DGEDHN CC(C)C1(CN2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC001560973116 1189413736 /nfs/dbraw/zinc/41/37/36/1189413736.db2.gz JVBXJVJEUHHJGV-UHFFFAOYSA-N 0 3 301.409 3.256 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001565819948 1189675326 /nfs/dbraw/zinc/67/53/26/1189675326.db2.gz VRAUKAUMJYWPEH-KRWDZBQOSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001565820906 1189675680 /nfs/dbraw/zinc/67/56/80/1189675680.db2.gz FCUYXWGMIFXEKX-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](F)c1ccccc1 ZINC001565828454 1189680310 /nfs/dbraw/zinc/68/03/10/1189680310.db2.gz ONTYZPQECKCZHM-SJORKVTESA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001565830702 1189682406 /nfs/dbraw/zinc/68/24/06/1189682406.db2.gz YNCMXDXKWLDGBW-SFHVURJKSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccc(CC)cc1 ZINC001565832870 1189683443 /nfs/dbraw/zinc/68/34/43/1189683443.db2.gz HMTUHXDIUCEHGE-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccc(CC)cc1 ZINC001565832871 1189684330 /nfs/dbraw/zinc/68/43/30/1189684330.db2.gz HMTUHXDIUCEHGE-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CCCCC1 ZINC001565836123 1189686109 /nfs/dbraw/zinc/68/61/09/1189686109.db2.gz CLGSSNLXZMNTTF-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)CCCC)C2)CC1 ZINC001565921157 1189704008 /nfs/dbraw/zinc/70/40/08/1189704008.db2.gz ARMMQGVPYBWDFZ-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC(C)C)C(C)(C)[C@H]21 ZINC001565993782 1189711452 /nfs/dbraw/zinc/71/14/52/1189711452.db2.gz VVRMVMNIDOXENX-NXHRZFHOSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCC(C)C)C(C)(C)[C@H]21 ZINC001565993781 1189711735 /nfs/dbraw/zinc/71/17/35/1189711735.db2.gz VVRMVMNIDOXENX-NJAFHUGGSA-N 0 3 304.478 3.051 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)CC(C)C)CCN1Cc1ccc(C#N)cc1 ZINC001566005148 1189713783 /nfs/dbraw/zinc/71/37/83/1189713783.db2.gz LYIOEGCBWDZDJO-ZWKOTPCHSA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H]1CC ZINC001566018567 1189717906 /nfs/dbraw/zinc/71/79/06/1189717906.db2.gz GZZSDJAKFAJNCZ-QWHCGFSZSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H]1CC ZINC001566021157 1189718020 /nfs/dbraw/zinc/71/80/20/1189718020.db2.gz YWNUWYRCUMAUIV-QWHCGFSZSA-N 0 3 306.372 3.264 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@@H](NCc2ccc(F)cn2)C1 ZINC001566068089 1189725384 /nfs/dbraw/zinc/72/53/84/1189725384.db2.gz XIVRXSQWJLVGMN-QGZVFWFLSA-N 0 3 319.424 3.048 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(CC)c(CCC)s1 ZINC001566515774 1189788945 /nfs/dbraw/zinc/78/89/45/1189788945.db2.gz KLNMMLHVXPFJIU-UHFFFAOYSA-N 0 3 320.502 3.338 20 30 DGEDHN CCN(CCCNC(=O)C1(C)CCC1)Cc1ccc(C#N)s1 ZINC001566560454 1189800996 /nfs/dbraw/zinc/80/09/96/1189800996.db2.gz NJYQMOZKJYRBSP-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001566622284 1189828888 /nfs/dbraw/zinc/82/88/88/1189828888.db2.gz UDODNNDAGVAIEO-MOPGFXCFSA-N 0 3 310.441 3.132 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccc(F)cc2)CC1 ZINC001566699320 1189864572 /nfs/dbraw/zinc/86/45/72/1189864572.db2.gz HOCQINNLTIUWOP-UHFFFAOYSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCCC(=O)NC[C@@H](N[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC001566704401 1189867452 /nfs/dbraw/zinc/86/74/52/1189867452.db2.gz KVGNXWAUEQLNKN-SJKOYZFVSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001566752583 1189890580 /nfs/dbraw/zinc/89/05/80/1189890580.db2.gz GQHIUPDZTQSMLY-YESZJQIVSA-N 0 3 315.461 3.275 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001566799030 1189904610 /nfs/dbraw/zinc/90/46/10/1189904610.db2.gz APUITMLOZRHOSI-SHTZXODSSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1CCOC1CCC1 ZINC001566924489 1189954944 /nfs/dbraw/zinc/95/49/44/1189954944.db2.gz OYWNEFOJMXLUHA-MRXNPFEDSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCCCN2CCCF)CCCCC1 ZINC001566930211 1189959619 /nfs/dbraw/zinc/95/96/19/1189959619.db2.gz SHJTUCGAOCWTGE-QGZVFWFLSA-N 0 3 322.468 3.291 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H](C)C1CCCC1)NCc1ccc(C#N)s1 ZINC001567070450 1190018643 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ZINC001567283774 1190109823 /nfs/dbraw/zinc/10/98/23/1190109823.db2.gz KDGIFPZSRASQQZ-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@@H]1CCc2c1cccc2F ZINC001567330504 1190134137 /nfs/dbraw/zinc/13/41/37/1190134137.db2.gz NLBUJIIXXYAWLI-GOSISDBHSA-N 0 3 316.420 3.055 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](CC)c1ccccc1 ZINC001567383071 1190163362 /nfs/dbraw/zinc/16/33/62/1190163362.db2.gz PFYTXNPRIHWVMC-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001567382001 1190163505 /nfs/dbraw/zinc/16/35/05/1190163505.db2.gz CTTRTQCYSRUTBM-HKUYNNGSSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCCC1 ZINC001567392197 1190168669 /nfs/dbraw/zinc/16/86/69/1190168669.db2.gz YMTFPZJUTRRQAG-LJQANCHMSA-N 0 3 324.468 3.102 20 30 DGEDHN Cc1cccc(Cl)c1CNCCN(C)C(=O)C#CC(C)(C)C ZINC001567491347 1190209648 /nfs/dbraw/zinc/20/96/48/1190209648.db2.gz AXAULPDJGBSTMS-UHFFFAOYSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CCC)C(=O)c2ccns2)C1 ZINC001567684864 1190252118 /nfs/dbraw/zinc/25/21/18/1190252118.db2.gz POTBQYIOSCKUMX-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN CCCCC(=O)NCC[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001567691021 1190256886 /nfs/dbraw/zinc/25/68/86/1190256886.db2.gz IFPHCEKQXGVUJB-MRXNPFEDSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001567765395 1190291395 /nfs/dbraw/zinc/29/13/95/1190291395.db2.gz UONRYCSSOZDMKY-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001567766834 1190291462 /nfs/dbraw/zinc/29/14/62/1190291462.db2.gz KTMRDSKCRHLMGY-OAHLLOKOSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001567831484 1190313110 /nfs/dbraw/zinc/31/31/10/1190313110.db2.gz VVEMLWARXTZXFW-UHFFFAOYSA-N 0 3 302.462 3.303 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001567840364 1190316724 /nfs/dbraw/zinc/31/67/24/1190316724.db2.gz QTCSYOBNIDIAEM-IBGZPJMESA-N 0 3 300.446 3.145 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN([C@@H](C)c3ccccc3C)C2)C1 ZINC001567841004 1190316865 /nfs/dbraw/zinc/31/68/65/1190316865.db2.gz MLBFIQCQTTZKMD-INIZCTEOSA-N 0 3 312.457 3.460 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001567842671 1190317567 /nfs/dbraw/zinc/31/75/67/1190317567.db2.gz PMBQKWBFCQZGCD-UHFFFAOYSA-N 0 3 314.473 3.399 20 30 DGEDHN C=CC[C@@H](C(=O)NCC1CN(CC[C@@H](C)F)C1)c1ccccc1 ZINC001567848905 1190319984 /nfs/dbraw/zinc/31/99/84/1190319984.db2.gz NROQYRZBIHJKNJ-CRAIPNDOSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001567936276 1190362210 /nfs/dbraw/zinc/36/22/10/1190362210.db2.gz PVGFCNDKTAVPKN-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2cccc(Cl)c2)C1 ZINC001567940686 1190366464 /nfs/dbraw/zinc/36/64/64/1190366464.db2.gz KSPQRMKVPNOKCK-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN CC[C@@H](CNC(=O)C1CCC=CCC1)NCC#Cc1ccccc1 ZINC001567989811 1190389650 /nfs/dbraw/zinc/38/96/50/1190389650.db2.gz UNYPWQRQYBSRAE-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001568000587 1190392782 /nfs/dbraw/zinc/39/27/82/1190392782.db2.gz ZFSYWHRXEVZOSA-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC23CCCC3)CCCC1 ZINC001568007543 1190395374 /nfs/dbraw/zinc/39/53/74/1190395374.db2.gz IIWWZYKDOSPVAU-AWEZNQCLSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccncc2)CCCC[C@@H]1C ZINC001568033852 1190404598 /nfs/dbraw/zinc/40/45/98/1190404598.db2.gz KFIUOMWXNBFRIA-SUMWQHHRSA-N 0 3 321.852 3.102 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2conc2C)CCCC[C@@H]1C ZINC001568037063 1190406064 /nfs/dbraw/zinc/40/60/64/1190406064.db2.gz USGIGZDFKLXCFS-KSSFIOAISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC001568046874 1190408716 /nfs/dbraw/zinc/40/87/16/1190408716.db2.gz LZIBGJXXLGUEGC-OAHLLOKOSA-N 0 3 324.852 3.481 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC2(C)CCCC2)cc1 ZINC001568116563 1190425944 /nfs/dbraw/zinc/42/59/44/1190425944.db2.gz NREYUXBTEFYHFG-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](CC)CC(C)C)cc1 ZINC001568121584 1190427291 /nfs/dbraw/zinc/42/72/91/1190427291.db2.gz GACYKGYUXOVGNN-LJQANCHMSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNCc1nc(C)sc1C ZINC001568190279 1190447145 /nfs/dbraw/zinc/44/71/45/1190447145.db2.gz GJZOBOGGUWFLKD-PXAZEXFGSA-N 0 3 323.506 3.204 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CCCC1 ZINC001568243227 1190459964 /nfs/dbraw/zinc/45/99/64/1190459964.db2.gz WPGWKSMRYJKWQM-ZIAGYGMSSA-N 0 3 322.836 3.154 20 30 DGEDHN CC[C@@H]1C[C@H]1C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001568242870 1190460297 /nfs/dbraw/zinc/46/02/97/1190460297.db2.gz MUQQSRKNEWHJJI-RTBURBONSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2ccns2)CCCC1 ZINC001568322363 1190490215 /nfs/dbraw/zinc/49/02/15/1190490215.db2.gz MLXIEFHFNHKANB-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C(C)C ZINC001568457181 1190527670 /nfs/dbraw/zinc/52/76/70/1190527670.db2.gz HYLITGSDYGCTTG-JONQDZQNSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(C)C ZINC001568457180 1190527763 /nfs/dbraw/zinc/52/77/63/1190527763.db2.gz HYLITGSDYGCTTG-FZKCQIBNSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)C[C@@H](OC)C1CCCC1 ZINC001568491177 1190543347 /nfs/dbraw/zinc/54/33/47/1190543347.db2.gz FVTUSLTYLVTDGN-QGZVFWFLSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCCCC(=O)N(C)CCN(C)Cc1ccc2cc[nH]c2c1 ZINC001568494789 1190545895 /nfs/dbraw/zinc/54/58/95/1190545895.db2.gz NOCWQGNRWUAYLF-UHFFFAOYSA-N 0 3 313.445 3.414 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1coc2cc(F)ccc12 ZINC001568551662 1190564128 /nfs/dbraw/zinc/56/41/28/1190564128.db2.gz NQIYVYKBWOOGHX-UHFFFAOYSA-N 0 3 318.392 3.081 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC001568551635 1190564765 /nfs/dbraw/zinc/56/47/65/1190564765.db2.gz MVDNNDBIYSWCEL-UHFFFAOYSA-N 0 3 320.864 3.338 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNCc1cccc(F)c1F ZINC001568663962 1190575385 /nfs/dbraw/zinc/57/53/85/1190575385.db2.gz HEMCHFSYQNNWJM-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN CCC(=CC(=O)NC/C=C\CNCc1cccc(C#N)c1)CC ZINC001568835179 1190593571 /nfs/dbraw/zinc/59/35/71/1190593571.db2.gz UMZGXJAWCCHUBO-WAYWQWQTSA-N 0 3 311.429 3.067 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001569037994 1190611912 /nfs/dbraw/zinc/61/19/12/1190611912.db2.gz CLTGAHVWBVGKPQ-FSQQNCNXSA-N 0 3 306.837 3.193 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001569079101 1190617447 /nfs/dbraw/zinc/61/74/47/1190617447.db2.gz PEAVKFPQZQQVSE-QWHCGFSZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001569119299 1190629901 /nfs/dbraw/zinc/62/99/01/1190629901.db2.gz OANLTBFZHGWEGX-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001569131538 1190634792 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C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001569374425 1190682459 /nfs/dbraw/zinc/68/24/59/1190682459.db2.gz LUCNGWGRPGOQFB-INIZCTEOSA-N 0 3 313.445 3.038 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001569380617 1190685669 /nfs/dbraw/zinc/68/56/69/1190685669.db2.gz CMGWFPCKAZBWFJ-VXGBXAGGSA-N 0 3 312.360 3.376 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001569382868 1190686780 /nfs/dbraw/zinc/68/67/80/1190686780.db2.gz GULKOOMHDGVHSU-GOSISDBHSA-N 0 3 312.457 3.102 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001569398603 1190690998 /nfs/dbraw/zinc/69/09/98/1190690998.db2.gz JDCOMJLTKFMDTJ-UHFFFAOYSA-N 0 3 318.848 3.128 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccc(F)cc2)CC1 ZINC001569401930 1190691780 /nfs/dbraw/zinc/69/17/80/1190691780.db2.gz LEIAMWXFOLNUTG-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001569437489 1190698302 /nfs/dbraw/zinc/69/83/02/1190698302.db2.gz VJXRMWRWPBHDJW-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CNCC=C(Cl)Cl)C1 ZINC001569554284 1190715895 /nfs/dbraw/zinc/71/58/95/1190715895.db2.gz LXCIGCGJMJUYHV-GFCCVEGCSA-N 0 3 317.260 3.242 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2c(F)cccc2F)CC1 ZINC001569574174 1190719395 /nfs/dbraw/zinc/71/93/95/1190719395.db2.gz ASKRFZDNIJDXJE-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCN(C(=O)/C=C(\C)C1CC1)C1CCN(CC=C(C)C)CC1 ZINC001569583928 1190720516 /nfs/dbraw/zinc/72/05/16/1190720516.db2.gz CHEKZAOTGDWAQK-BMRADRMJSA-N 0 3 314.473 3.235 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001569651701 1190734329 /nfs/dbraw/zinc/73/43/29/1190734329.db2.gz VAMHGVVSDMSXPM-MGPUTAFESA-N 0 3 324.424 3.140 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001569654147 1190734888 /nfs/dbraw/zinc/73/48/88/1190734888.db2.gz CCGDVIUGURBOBN-PXNSSMCTSA-N 0 3 314.473 3.330 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccccc2CC)C1 ZINC001569719742 1190748072 /nfs/dbraw/zinc/74/80/72/1190748072.db2.gz NQIRPSAQJVBZJE-FQEVSTJZSA-N 0 3 312.457 3.104 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001569723701 1190750286 /nfs/dbraw/zinc/75/02/86/1190750286.db2.gz YINNZILTIUKQDI-LJQANCHMSA-N 0 3 311.429 3.186 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001569725995 1190750669 /nfs/dbraw/zinc/75/06/69/1190750669.db2.gz LDPFCTTVIKEKEL-HTPOPCQBSA-N 0 3 304.478 3.217 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C2CCN(CC#CC)CC2)C1 ZINC001569799270 1190754819 /nfs/dbraw/zinc/75/48/19/1190754819.db2.gz AXVBMYFEUPYHQT-IBGZPJMESA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC(F)(F)F)c1ccccc1CC ZINC001569799339 1190755021 /nfs/dbraw/zinc/75/50/21/1190755021.db2.gz CLRLMXOBFHLNHC-CQSZACIVSA-N 0 3 314.351 3.134 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC(C)(C)CC)C2)CC1 ZINC001569799718 1190755619 /nfs/dbraw/zinc/75/56/19/1190755619.db2.gz HWCVZZKWGXULOW-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCC1(F)F)c1ccccc1CC ZINC001569802344 1190756138 /nfs/dbraw/zinc/75/61/38/1190756138.db2.gz SUMYSKBTTQJDMJ-JKSUJKDBSA-N 0 3 322.399 3.227 20 30 DGEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1cccc2ccccc21 ZINC001569839844 1190762016 /nfs/dbraw/zinc/76/20/16/1190762016.db2.gz SCYJZWUVXCNRBM-UHFFFAOYSA-N 0 3 322.452 3.189 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001569903729 1190770696 /nfs/dbraw/zinc/77/06/96/1190770696.db2.gz AUHFBPIDXRKCAO-CVEARBPZSA-N 0 3 304.459 3.280 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001569920561 1190775166 /nfs/dbraw/zinc/77/51/66/1190775166.db2.gz UHYUWOGTXAGDNN-BPQIPLTHSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001569992345 1190779925 /nfs/dbraw/zinc/77/99/25/1190779925.db2.gz ADSBAPDULREETC-LTIDMASMSA-N 0 3 324.896 3.393 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C[C@@H](C)CC)cccc2C1 ZINC001570078345 1190791339 /nfs/dbraw/zinc/79/13/39/1190791339.db2.gz UUTALTTUZBVKHH-INIZCTEOSA-N 0 3 312.457 3.120 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@@H](C)C3CCC3)cccc2C1 ZINC001570078065 1190791466 /nfs/dbraw/zinc/79/14/66/1190791466.db2.gz KUDUSVVUUJWWKI-INIZCTEOSA-N 0 3 324.468 3.120 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ncccc2C)CC1(C)C ZINC001570389234 1190850712 /nfs/dbraw/zinc/85/07/12/1190850712.db2.gz UVQSKVSZWMFIGZ-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)CC[C@H](C)CC)CC2)C1 ZINC001570482297 1190868871 /nfs/dbraw/zinc/86/88/71/1190868871.db2.gz HCHPGZPDDVFKGB-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)(C)C2CCCC2)C1 ZINC001570563943 1190888548 /nfs/dbraw/zinc/88/85/48/1190888548.db2.gz HOBLHZLJIBYQLP-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001570579983 1190891097 /nfs/dbraw/zinc/89/10/97/1190891097.db2.gz NHZACZNODIWUEQ-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCC(NCc2nccs2)CC1 ZINC001570663047 1190913192 /nfs/dbraw/zinc/91/31/92/1190913192.db2.gz OKVQBBXNAZYIAV-UHFFFAOYSA-N 0 3 321.490 3.215 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1(COC)CCCCC1 ZINC001570822459 1190958427 /nfs/dbraw/zinc/95/84/27/1190958427.db2.gz DJWPAQWWXCNYFD-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC001570827503 1190960407 /nfs/dbraw/zinc/96/04/07/1190960407.db2.gz SEUHHOFOWYSDPS-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001571388943 1191010829 /nfs/dbraw/zinc/01/08/29/1191010829.db2.gz BHVFCYMEDJONBX-CYBMUJFWSA-N 0 3 321.490 3.238 20 30 DGEDHN C[C@@H](C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1)C(C)(C)C ZINC001571393920 1191012683 /nfs/dbraw/zinc/01/26/83/1191012683.db2.gz ZEYCJMXEUUWTSN-STQMWFEESA-N 0 3 321.490 3.238 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2cscc2s1 ZINC001571396521 1191013464 /nfs/dbraw/zinc/01/34/64/1191013464.db2.gz DTLPDBXJQZDOEX-LLVKDONJSA-N 0 3 306.456 3.036 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001571533270 1191045924 /nfs/dbraw/zinc/04/59/24/1191045924.db2.gz ZLBYJWBLXOMEPZ-NUBPSFNZSA-N 0 3 305.249 3.146 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](CC)CCCC)CCC[C@@H]12 ZINC001571496203 1191032082 /nfs/dbraw/zinc/03/20/82/1191032082.db2.gz AUHWIZODCBYLEV-YQVWRLOYSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCC3CCCCCC3)CCC[C@@H]12 ZINC001571500784 1191032942 /nfs/dbraw/zinc/03/29/42/1191032942.db2.gz IFTNECORPUAPEM-QUCCMNQESA-N 0 3 316.489 3.483 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCC3CCCCCC3)CCC[C@@H]12 ZINC001571500785 1191033477 /nfs/dbraw/zinc/03/34/77/1191033477.db2.gz IFTNECORPUAPEM-UYAOXDASSA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](CC)CC(F)(F)F)CCC[C@H]12 ZINC001571505095 1191034952 /nfs/dbraw/zinc/03/49/52/1191034952.db2.gz MUYFRFJNKMEYCD-VNHYZAJKSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001571533269 1191045890 /nfs/dbraw/zinc/04/58/90/1191045890.db2.gz ZLBYJWBLXOMEPZ-KCWVNHISSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1ccc(C)cc1)C(C)C ZINC001571612880 1191059427 /nfs/dbraw/zinc/05/94/27/1191059427.db2.gz CAGWHCZQIYQZNS-UHFFFAOYSA-N 0 3 302.462 3.282 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1occ2c1CCC2)C(C)C ZINC001571614004 1191060818 /nfs/dbraw/zinc/06/08/18/1191060818.db2.gz QYDQFAXJONJTHD-UHFFFAOYSA-N 0 3 304.434 3.127 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cnc2ccccc2c1)C(C)C ZINC001571615429 1191063015 /nfs/dbraw/zinc/06/30/15/1191063015.db2.gz RHOOQTLCXLNANU-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2ccccc2n1)C(C)C ZINC001571615821 1191063204 /nfs/dbraw/zinc/06/32/04/1191063204.db2.gz FXYKUSTWJQLUQJ-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cnc2ccccc2c1)C(C)C ZINC001571615293 1191063266 /nfs/dbraw/zinc/06/32/66/1191063266.db2.gz MJMWIGQHQWDOSH-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001571651076 1191075504 /nfs/dbraw/zinc/07/55/04/1191075504.db2.gz MBTMJINMHHTJBS-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC001574851949 1191453690 /nfs/dbraw/zinc/45/36/90/1191453690.db2.gz MHQVXZDTYPCOCX-KGLIPLIRSA-N 0 3 320.820 3.019 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1 ZINC001574888899 1191456119 /nfs/dbraw/zinc/45/61/19/1191456119.db2.gz MCBVFAZRYODXHZ-UXHICEINSA-N 0 3 320.436 3.177 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC001574902597 1191457425 /nfs/dbraw/zinc/45/74/25/1191457425.db2.gz CXTARPWECGFFTR-IUCAKERBSA-N 0 3 321.368 3.023 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001574902886 1191457798 /nfs/dbraw/zinc/45/77/98/1191457798.db2.gz ITQXMUULHZQMQR-IEBWSBKVSA-N 0 3 323.440 3.103 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N(Cc1cccc(Cl)c1)CC(C)C ZINC001574962153 1191460819 /nfs/dbraw/zinc/46/08/19/1191460819.db2.gz GHGGDHVKINYNNQ-MRXNPFEDSA-N 0 3 306.837 3.065 20 30 DGEDHN CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)c2ccccc2S1 ZINC001576448005 1191799188 /nfs/dbraw/zinc/79/91/88/1191799188.db2.gz VLPBQFGPQDOBMQ-ZDUSSCGKSA-N 0 3 317.458 3.315 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1sccc1C ZINC001626750743 1194093581 /nfs/dbraw/zinc/09/35/81/1194093581.db2.gz FTRYUIJFXYGESG-UHFFFAOYSA-N 0 3 308.491 3.346 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC001626750611 1194093894 /nfs/dbraw/zinc/09/38/94/1194093894.db2.gz DKKKWCUSVIOVDY-FQEVSTJZSA-N 0 3 314.473 3.247 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC001628500258 1194181790 /nfs/dbraw/zinc/18/17/90/1194181790.db2.gz WDFUJGQVWQWQTN-QGZVFWFLSA-N 0 3 315.461 3.028 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC001634641042 1194505973 /nfs/dbraw/zinc/50/59/73/1194505973.db2.gz SNRRUYOFCDUNLT-GJZGRUSLSA-N 0 3 306.475 3.126 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001634640474 1194506386 /nfs/dbraw/zinc/50/63/86/1194506386.db2.gz DUJFMVINIZRCIZ-MRXNPFEDSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001635035973 1194529743 /nfs/dbraw/zinc/52/97/43/1194529743.db2.gz LPYHRORFMGEVLT-NXHRZFHOSA-N 0 3 319.493 3.437 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001640016009 1194791362 /nfs/dbraw/zinc/79/13/62/1194791362.db2.gz MGEOAKTXUUQVRJ-ZDUSSCGKSA-N 0 3 310.388 3.035 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](C)CC1 ZINC001641637619 1194864155 /nfs/dbraw/zinc/86/41/55/1194864155.db2.gz SHQIZLUMHGVNAV-WPZCVXBKSA-N 0 3 319.493 3.428 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2ccccc2OC)CC1 ZINC001641699638 1194867391 /nfs/dbraw/zinc/86/73/91/1194867391.db2.gz WSLSIDZINVGLKN-UHFFFAOYSA-N 0 3 314.473 3.397 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001641778135 1194870759 /nfs/dbraw/zinc/87/07/59/1194870759.db2.gz YSCNPNXUIJAFQB-GOSISDBHSA-N 0 3 300.446 3.288 20 30 DGEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC001643688282 1195046108 /nfs/dbraw/zinc/04/61/08/1195046108.db2.gz QFLOFBOXYLQIEJ-INIZCTEOSA-N 0 3 314.429 3.361 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C1CCCC1 ZINC001645107396 1195157874 /nfs/dbraw/zinc/15/78/74/1195157874.db2.gz XJBFPMZKBAVOBX-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC001645169382 1195162701 /nfs/dbraw/zinc/16/27/01/1195162701.db2.gz HKTWGENGHGOGFK-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC001645163216 1195162859 /nfs/dbraw/zinc/16/28/59/1195162859.db2.gz LFPLOWUISRTQJV-MRXNPFEDSA-N 0 3 305.425 3.361 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CN(CC)CC1(C)C ZINC001646586233 1195235221 /nfs/dbraw/zinc/23/52/21/1195235221.db2.gz IVHOFKYLLOQMFW-INIZCTEOSA-N 0 3 318.486 3.425 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nc(C)cs2)C[C@@H]1C ZINC001671230022 1195238116 /nfs/dbraw/zinc/23/81/16/1195238116.db2.gz BPVKPNUWRBMLBR-GJZGRUSLSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCN(Cc1cnc(OC)c2ccccc12)[C@@H](C)COC ZINC001647737742 1195251005 /nfs/dbraw/zinc/25/10/05/1195251005.db2.gz OVVIRJBOVXEXFK-AWEZNQCLSA-N 0 3 300.402 3.266 20 30 DGEDHN COC(C)(C)[C@@H](C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC001648392324 1195297256 /nfs/dbraw/zinc/29/72/56/1195297256.db2.gz SFCHLHSMIHZHJO-GFCCVEGCSA-N 0 3 315.335 3.340 20 30 DGEDHN C=CCC[C@H]1CCCN1CCCS(=O)(=O)c1ccccc1 ZINC001648526723 1195306366 /nfs/dbraw/zinc/30/63/66/1195306366.db2.gz ZJUSJTGBBXKXFD-INIZCTEOSA-N 0 3 307.459 3.281 20 30 DGEDHN Cn1nccc1C[C@@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001648662395 1195320307 /nfs/dbraw/zinc/32/03/07/1195320307.db2.gz ZQAYNFKJCHRJQS-KRWDZBQOSA-N 0 3 314.820 3.152 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1cccc(C)c1 ZINC001649441095 1195339504 /nfs/dbraw/zinc/33/95/04/1195339504.db2.gz JLSHFODABFEFFX-HUUCEWRRSA-N 0 3 308.853 3.335 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1ccccc1C)C1CC1 ZINC001649448741 1195341402 /nfs/dbraw/zinc/34/14/02/1195341402.db2.gz XZUVCUDLCAJKQR-SFHVURJKSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc2ccsc2c1 ZINC001649451475 1195342305 /nfs/dbraw/zinc/34/23/05/1195342305.db2.gz DOEOIEJLEFEKRA-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN Cc1cc(NC[C@H](C)N2CCc3ccccc3C2)ncc1C#N ZINC001650709478 1195374161 /nfs/dbraw/zinc/37/41/61/1195374161.db2.gz IKBGQUZTEPAZCO-HNNXBMFYSA-N 0 3 306.413 3.120 20 30 DGEDHN C=CCN(C)CCN(CC)c1cc(Br)ccc1C#N ZINC001651186888 1195424661 /nfs/dbraw/zinc/42/46/61/1195424661.db2.gz HHSGMZHFKUAKCY-UHFFFAOYSA-N 0 3 322.250 3.265 20 30 DGEDHN C=C[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC001651357043 1195448492 /nfs/dbraw/zinc/44/84/92/1195448492.db2.gz CECPKSBKSUKDAT-MRXNPFEDSA-N 0 3 323.396 3.077 20 30 DGEDHN CCN1C[C@@H](C)N(c2cc(Br)ccc2C#N)C[C@@H]1C ZINC001651702767 1195499388 /nfs/dbraw/zinc/49/93/88/1195499388.db2.gz NBJLRPVUSQXTNO-NWDGAFQWSA-N 0 3 322.250 3.240 20 30 DGEDHN C=CCN(Cc1ccc(CN(C)C)c2c1OC(F)(F)O2)C1CC1 ZINC001652146753 1195553200 /nfs/dbraw/zinc/55/32/00/1195553200.db2.gz WQSHGFAEFDIXKL-UHFFFAOYSA-N 0 3 324.371 3.220 20 30 DGEDHN C=CCN(Cc1cncc(C(=O)OC)c1)CC1CCCCC1 ZINC001653366548 1195714852 /nfs/dbraw/zinc/71/48/52/1195714852.db2.gz DSFCBBOASPSULG-UHFFFAOYSA-N 0 3 302.418 3.437 20 30 DGEDHN C=CCC[C@H](O)CN1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001653461406 1195725986 /nfs/dbraw/zinc/72/59/86/1195725986.db2.gz KXTLUGYNSLPBNR-OALUTQOASA-N 0 3 302.462 3.082 20 30 DGEDHN CN(Cc1ccc(F)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001654149161 1195779441 /nfs/dbraw/zinc/77/94/41/1195779441.db2.gz XNPMODDMCZZNTJ-QGZVFWFLSA-N 0 3 302.324 3.002 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2cccc(O)c2)cc1 ZINC001654312182 1195792705 /nfs/dbraw/zinc/79/27/05/1195792705.db2.gz MGDIKDRMNKCLBJ-AWEZNQCLSA-N 0 3 308.381 3.053 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cc(C#N)cc(C)n3)cc2)CC1 ZINC001654891013 1195851064 /nfs/dbraw/zinc/85/10/64/1195851064.db2.gz NYWWFUMXZPIVFB-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC001655206699 1195890108 /nfs/dbraw/zinc/89/01/08/1195890108.db2.gz YIUMIIPIWWUXFC-UHFFFAOYSA-N 0 3 322.456 3.493 20 30 DGEDHN Cc1cc(F)c(C#N)c(N2CC(N(C)Cc3ccccc3)C2)c1 ZINC001655468004 1195921027 /nfs/dbraw/zinc/92/10/27/1195921027.db2.gz XEBCXKCHFZLXGL-UHFFFAOYSA-N 0 3 309.388 3.326 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001656089825 1195998638 /nfs/dbraw/zinc/99/86/38/1195998638.db2.gz XEPKCKZZRLZOPS-HNNXBMFYSA-N 0 3 302.418 3.270 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001656094298 1196000119 /nfs/dbraw/zinc/00/01/19/1196000119.db2.gz YNTZQJQALNGXTE-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001656109182 1196004000 /nfs/dbraw/zinc/00/40/00/1196004000.db2.gz GJEHPWDPBCGXAY-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN CCCCCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001656118762 1196006708 /nfs/dbraw/zinc/00/67/08/1196006708.db2.gz MRJQLABLLSQLQJ-KDURUIRLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@]2(C)CCC[C@H]2CC)C1 ZINC001656207045 1196017308 /nfs/dbraw/zinc/01/73/08/1196017308.db2.gz METRKOWLFSRQCE-ANQUJSFKSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCCc2ccsc2)[C@@H]1C ZINC001656987431 1196089744 /nfs/dbraw/zinc/08/97/44/1196089744.db2.gz NAPPSPZBDYLKPQ-ZBFHGGJFSA-N 0 3 320.502 3.472 20 30 DGEDHN C=CCN(CC=C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001657573121 1196156596 /nfs/dbraw/zinc/15/65/96/1196156596.db2.gz WOJVVNZVRKICNQ-CYBMUJFWSA-N 0 3 316.392 3.305 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001657592705 1196157844 /nfs/dbraw/zinc/15/78/44/1196157844.db2.gz KLHAGWKPVRPJTG-CQSZACIVSA-N 0 3 317.408 3.214 20 30 DGEDHN C[C@@H]1CC(C)(C)CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001659025900 1196333428 /nfs/dbraw/zinc/33/34/28/1196333428.db2.gz YUNLQNZDXUWMMX-RHSMWYFYSA-N 0 3 311.429 3.174 20 30 DGEDHN COc1ccc(C(C)(C)CNCC2(C#N)CCC2)cc1OC ZINC001659476222 1196386595 /nfs/dbraw/zinc/38/65/95/1196386595.db2.gz WRPLXQZHAZFUQB-UHFFFAOYSA-N 0 3 302.418 3.265 20 30 DGEDHN CN(C/C=C/c1cccc(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001660210463 1196457284 /nfs/dbraw/zinc/45/72/84/1196457284.db2.gz LZYQCNLRZVPWAN-QTWIXLPOSA-N 0 3 310.372 3.376 20 30 DGEDHN C#CCC1(N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1 ZINC001660284074 1196466547 /nfs/dbraw/zinc/46/65/47/1196466547.db2.gz QDOZFJZQEOLDKO-CQSZACIVSA-N 0 3 320.795 3.120 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001660326167 1196471465 /nfs/dbraw/zinc/47/14/65/1196471465.db2.gz CWLLCRCNSOQUEZ-IBGZPJMESA-N 0 3 314.473 3.278 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001660439494 1196484157 /nfs/dbraw/zinc/48/41/57/1196484157.db2.gz IJAIHBRNRUNPTN-LSDHHAIUSA-N 0 3 310.869 3.148 20 30 DGEDHN COc1cc(C)c(CNCc2cc(C#N)ccc2F)c(O)c1 ZINC001660708872 1196515493 /nfs/dbraw/zinc/51/54/93/1196515493.db2.gz GRVGOQYPFNZRPP-UHFFFAOYSA-N 0 3 300.333 3.010 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)OCC(C)C)CC1 ZINC001661083093 1196563673 /nfs/dbraw/zinc/56/36/73/1196563673.db2.gz MEWGSPMWWXAFLZ-QGZVFWFLSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccncc2C)CC1 ZINC001661087424 1196564202 /nfs/dbraw/zinc/56/42/02/1196564202.db2.gz SQDDNIDJPPIDCV-UHFFFAOYSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC001661096994 1196565663 /nfs/dbraw/zinc/56/56/63/1196565663.db2.gz HAKTXQADHFPTSS-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001661244844 1196588204 /nfs/dbraw/zinc/58/82/04/1196588204.db2.gz RZOHMGNLGQKZPV-CAOSSQGBSA-N 0 3 310.507 3.158 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001661491746 1196612268 /nfs/dbraw/zinc/61/22/68/1196612268.db2.gz VQCOMIWBPNXGOT-QAQDUYKDSA-N 0 3 320.864 3.225 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001661742629 1196639300 /nfs/dbraw/zinc/63/93/00/1196639300.db2.gz DRIDMJNAACAALZ-QZTJIDSGSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001661744467 1196639939 /nfs/dbraw/zinc/63/99/39/1196639939.db2.gz YEYCDBYSANXONV-MOPGFXCFSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001661861542 1196654651 /nfs/dbraw/zinc/65/46/51/1196654651.db2.gz PTHHVKNYDXVEOB-SFHVURJKSA-N 0 3 320.477 3.050 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001661984019 1196670616 /nfs/dbraw/zinc/67/06/16/1196670616.db2.gz QBXIZZAKZAKNPI-FUHWJXTLSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001661990561 1196671744 /nfs/dbraw/zinc/67/17/44/1196671744.db2.gz WBLSHKJIFNUNQL-LGYYHMKYSA-N 0 3 324.468 3.025 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001662044182 1196677073 /nfs/dbraw/zinc/67/70/73/1196677073.db2.gz SMOHKRVOFQTJFP-CMASJIQRSA-N 0 3 324.468 3.349 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001662229337 1196696603 /nfs/dbraw/zinc/69/66/03/1196696603.db2.gz DFKXJEVSSCJMHP-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001662320724 1196707501 /nfs/dbraw/zinc/70/75/01/1196707501.db2.gz YHJMCHHCAYIHRM-LLVKDONJSA-N 0 3 300.855 3.352 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H](N(C)CC#CC)C2)CCCCC1 ZINC001662877943 1196767085 /nfs/dbraw/zinc/76/70/85/1196767085.db2.gz IWKZIHFJADTJHJ-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C[C@@H](CCNC(=O)/C=C\C(C)(C)C)NCc1ccccc1C#N ZINC001662898806 1196770201 /nfs/dbraw/zinc/77/02/01/1196770201.db2.gz LHQWBMMCULBTAO-KLQCNHIUSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(C)c1Cl ZINC001662988770 1196779944 /nfs/dbraw/zinc/77/99/44/1196779944.db2.gz IMSNDCSIDDEBIC-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001662984217 1196779984 /nfs/dbraw/zinc/77/99/84/1196779984.db2.gz QABJJCUMUZQZNR-HYVNUMGLSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](C)CSC ZINC001663040906 1196787381 /nfs/dbraw/zinc/78/73/81/1196787381.db2.gz VKQKGAUQTFSKHJ-OCCSQVGLSA-N 0 3 318.914 3.099 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)CCc1ccc(Cl)cc1 ZINC001663192888 1196809478 /nfs/dbraw/zinc/80/94/78/1196809478.db2.gz ODCRTDJCJBNAOW-UHFFFAOYSA-N 0 3 308.853 3.287 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C1(CCc2ccccc2)CC1 ZINC001663346460 1196841115 /nfs/dbraw/zinc/84/11/15/1196841115.db2.gz STBWVAUYOFRXAT-UHFFFAOYSA-N 0 3 300.446 3.024 20 30 DGEDHN CCN(CCNC(=O)C#CC1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC001663381408 1196852104 /nfs/dbraw/zinc/85/21/04/1196852104.db2.gz FTTDGGLYOBBTEU-AWEZNQCLSA-N 0 3 318.848 3.253 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)C(C)C ZINC001663528549 1196896464 /nfs/dbraw/zinc/89/64/64/1196896464.db2.gz QKXYAWFLZCMCBN-MSOLQXFVSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCOC(C)C)CCCC1 ZINC001663552204 1196903529 /nfs/dbraw/zinc/90/35/29/1196903529.db2.gz GJZQKXGLCUGLGL-KRWDZBQOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663619957 1196915367 /nfs/dbraw/zinc/91/53/67/1196915367.db2.gz IVULVUARHYKHMG-APWZRJJASA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)CC1CCCCC1 ZINC001663684521 1196928171 /nfs/dbraw/zinc/92/81/71/1196928171.db2.gz ZGPKXPQCLQZBFC-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001663710589 1196932342 /nfs/dbraw/zinc/93/23/42/1196932342.db2.gz PTYKIYMTUHIDHG-UHFFFAOYSA-N 0 3 311.429 3.215 20 30 DGEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C1=CCCCCC1 ZINC001663899485 1196955674 /nfs/dbraw/zinc/95/56/74/1196955674.db2.gz WFMBTTYOCDHILU-UHFFFAOYSA-N 0 3 317.458 3.058 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC001664574860 1197016713 /nfs/dbraw/zinc/01/67/13/1197016713.db2.gz VVDCFRTVBOVBPO-KRWDZBQOSA-N 0 3 314.404 3.254 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)C(C)(F)F)c1ccccc1 ZINC001664592345 1197019235 /nfs/dbraw/zinc/01/92/35/1197019235.db2.gz IQPPMCQXAJHZGC-HIFRSBDPSA-N 0 3 310.388 3.301 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@H](C)c1ccco1)c1ccccc1 ZINC001664599473 1197019571 /nfs/dbraw/zinc/01/95/71/1197019571.db2.gz RWRHGUOWOLZIHH-DOTOQJQBSA-N 0 3 312.413 3.406 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001664672879 1197031320 /nfs/dbraw/zinc/03/13/20/1197031320.db2.gz FDVCRVBQYVYRFG-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001665016981 1197086771 /nfs/dbraw/zinc/08/67/71/1197086771.db2.gz YKORGCMCDINBKB-RTBURBONSA-N 0 3 312.457 3.030 20 30 DGEDHN CC1(CC(=O)NC2(CNCC#Cc3ccccc3)CCCC2)CC1 ZINC001665938370 1197218778 /nfs/dbraw/zinc/21/87/78/1197218778.db2.gz NTTWBVVJJDGSLB-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@]2(C)CCC[C@H]2C)cc1 ZINC001666340796 1197253458 /nfs/dbraw/zinc/25/34/58/1197253458.db2.gz ABLUFUBPENFMRD-OXQOHEQNSA-N 0 3 312.457 3.242 20 30 DGEDHN CC(C)=CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001666850164 1197290522 /nfs/dbraw/zinc/29/05/22/1197290522.db2.gz VRDRCOUBPWMOSN-OAHLLOKOSA-N 0 3 318.848 3.094 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001666967923 1197302720 /nfs/dbraw/zinc/30/27/20/1197302720.db2.gz XWBLTNQGQJLBJR-GFCCVEGCSA-N 0 3 310.388 3.114 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001667197067 1197328494 /nfs/dbraw/zinc/32/84/94/1197328494.db2.gz GOPVVUVYWTXLMZ-IPUYDCKKSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001667197066 1197328789 /nfs/dbraw/zinc/32/87/89/1197328789.db2.gz GOPVVUVYWTXLMZ-HSWBZUAGSA-N 0 3 319.276 3.488 20 30 DGEDHN CCCC(=O)NC[C@@H](NCC#Cc1ccccc1Cl)C(C)C ZINC001667431425 1197347288 /nfs/dbraw/zinc/34/72/88/1197347288.db2.gz RDAIRJWCVQEZDW-QGZVFWFLSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cccc(CC)c1)C(C)C ZINC001667473086 1197352214 /nfs/dbraw/zinc/35/22/14/1197352214.db2.gz HUPFCDJKBRSTCM-KRWDZBQOSA-N 0 3 322.880 3.274 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@H](C)c1cccc(F)c1 ZINC001667556617 1197361230 /nfs/dbraw/zinc/36/12/30/1197361230.db2.gz FRUJAYJIAOECFS-OAHLLOKOSA-N 0 3 304.409 3.080 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1c(Cl)oc2ccccc21 ZINC001667611178 1197368339 /nfs/dbraw/zinc/36/83/39/1197368339.db2.gz ITDZMJWJWYXCAM-UHFFFAOYSA-N 0 3 306.793 3.276 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001667659461 1197375964 /nfs/dbraw/zinc/37/59/64/1197375964.db2.gz FBLCSWORGDPFGJ-CYBMUJFWSA-N 0 3 306.475 3.063 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC001667726409 1197382945 /nfs/dbraw/zinc/38/29/45/1197382945.db2.gz FDCHUCSWGOIAHD-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cccc(C2CC2)c1 ZINC001668152109 1197401844 /nfs/dbraw/zinc/40/18/44/1197401844.db2.gz DJVAFRGTMCINSC-CQSZACIVSA-N 0 3 320.864 3.343 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1nc(C)c(C)s1 ZINC001668224010 1197405968 /nfs/dbraw/zinc/40/59/68/1197405968.db2.gz KDJCLOGWASLQFR-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)c1cccc(F)c1 ZINC001668314437 1197409148 /nfs/dbraw/zinc/40/91/48/1197409148.db2.gz FUNTXBZSOXMCMZ-QWHCGFSZSA-N 0 3 312.816 3.166 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1sc(C)nc1C ZINC001668546550 1197419020 /nfs/dbraw/zinc/41/90/20/1197419020.db2.gz VSBAQKWHFQIXSG-KRWDZBQOSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001673615010 1197429896 /nfs/dbraw/zinc/42/98/96/1197429896.db2.gz NQXROHUZXHOZOJ-GOSISDBHSA-N 0 3 315.461 3.307 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C\CNCc2cccc(F)c2)CC1 ZINC001669021022 1197437626 /nfs/dbraw/zinc/43/76/26/1197437626.db2.gz OWGCQEISQVGTEM-IHWYPQMZSA-N 0 3 316.420 3.334 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cccc(C)c2s1 ZINC001669833043 1197488846 /nfs/dbraw/zinc/48/88/46/1197488846.db2.gz MQRYXTBXXWWCSE-ZDUSSCGKSA-N 0 3 302.443 3.446 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CCCC1CC1 ZINC001669868006 1197493839 /nfs/dbraw/zinc/49/38/39/1197493839.db2.gz MHOBRMAOVWECTA-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001670260977 1197528891 /nfs/dbraw/zinc/52/88/91/1197528891.db2.gz BMIWZVCOGQYARZ-HNNXBMFYSA-N 0 3 308.853 3.289 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(CC)CC1)c1ccccc1CC ZINC001672176629 1197594872 /nfs/dbraw/zinc/59/48/72/1197594872.db2.gz LSRAQGWYISIOJP-SFHVURJKSA-N 0 3 312.457 3.209 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(C)CC=CC2)cc1 ZINC001672943712 1197630192 /nfs/dbraw/zinc/63/01/92/1197630192.db2.gz QJNRECDWMIXFJJ-INIZCTEOSA-N 0 3 310.441 3.333 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001673013587 1197634853 /nfs/dbraw/zinc/63/48/53/1197634853.db2.gz UHLMSFKGRLNDHJ-KKTNHOPESA-N 0 3 310.869 3.266 20 30 DGEDHN CC#CCNC1(CNC(=O)Cc2ccc3ccccc3c2)CCC1 ZINC001673234197 1197645764 /nfs/dbraw/zinc/64/57/64/1197645764.db2.gz LAYGDYUVUSZJTH-UHFFFAOYSA-N 0 3 320.436 3.034 20 30 DGEDHN C#CCC1(C(=O)NCC2(NC[C@H](F)CC)CCC2)CCCCC1 ZINC001673242071 1197646827 /nfs/dbraw/zinc/64/68/27/1197646827.db2.gz NQIHZONZFSFNLA-MRXNPFEDSA-N 0 3 322.468 3.337 20 30 DGEDHN C=C(CNC(=O)N1CCN(C(C)(C)CC)CC1)c1ccccc1 ZINC001673395951 1197655364 /nfs/dbraw/zinc/65/53/64/1197655364.db2.gz ZEHSNPRFUWHWHM-UHFFFAOYSA-N 0 3 315.461 3.216 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001673439087 1197661548 /nfs/dbraw/zinc/66/15/48/1197661548.db2.gz GQUKGDCJWOKITP-UHFFFAOYSA-N 0 3 308.388 3.321 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)CCCN(C)CC#CC)c1ccccc1 ZINC001673491985 1197669029 /nfs/dbraw/zinc/66/90/29/1197669029.db2.gz VATUUYRESZUENG-LJQANCHMSA-N 0 3 312.457 3.150 20 30 DGEDHN C=CC[C@H](C(=O)N(C)CCCN(C)CC#CC)c1ccccc1 ZINC001673491984 1197669128 /nfs/dbraw/zinc/66/91/28/1197669128.db2.gz VATUUYRESZUENG-IBGZPJMESA-N 0 3 312.457 3.150 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001673633823 1197681578 /nfs/dbraw/zinc/68/15/78/1197681578.db2.gz LDYKREKTWFRQSR-OALUTQOASA-N 0 3 324.468 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CCC1CC1 ZINC001673632837 1197681694 /nfs/dbraw/zinc/68/16/94/1197681694.db2.gz ADWJJJQQWZVTCN-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C(CC)CC)C2 ZINC001673645119 1197683300 /nfs/dbraw/zinc/68/33/00/1197683300.db2.gz GOXUMXLHZKSQAP-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC1CC(CN2Cc3ccc(CNC(=O)C#CC4CC4)cc3C2)C1 ZINC001673764588 1197690980 /nfs/dbraw/zinc/69/09/80/1197690980.db2.gz AOQMUQMPSNHSPT-UHFFFAOYSA-N 0 3 322.452 3.078 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(C(F)(F)F)CCC2)C(C)(C)C1 ZINC001674022448 1197723177 /nfs/dbraw/zinc/72/31/77/1197723177.db2.gz CVMLAHXIIQMOGM-LBPRGKRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2sc(C)nc2C)[C@@H](C)C1 ZINC001674120795 1197733981 /nfs/dbraw/zinc/73/39/81/1197733981.db2.gz MIRHLLFJSGSYQH-WFASDCNBSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2sc(C)nc2C)[C@@H](C)C1 ZINC001674120794 1197734376 /nfs/dbraw/zinc/73/43/76/1197734376.db2.gz MIRHLLFJSGSYQH-SWLSCSKDSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C[C@@H]1C ZINC001674155980 1197740643 /nfs/dbraw/zinc/74/06/43/1197740643.db2.gz RYKVPGOVCJFLCC-GGVAOPBYSA-N 0 3 324.468 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001674257921 1197752424 /nfs/dbraw/zinc/75/24/24/1197752424.db2.gz FIEZSAGRNROCCX-STQMWFEESA-N 0 3 312.816 3.166 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1cccc(Cl)n1 ZINC001674366843 1197765639 /nfs/dbraw/zinc/76/56/39/1197765639.db2.gz USQBVXSRLHVVRV-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001674425205 1197771370 /nfs/dbraw/zinc/77/13/70/1197771370.db2.gz TXDYARCMMMMHRX-RTBURBONSA-N 0 3 324.468 3.352 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(C)c(Cl)c1 ZINC001674462925 1197779437 /nfs/dbraw/zinc/77/94/37/1197779437.db2.gz BRVDNFVJWZQDBR-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(Cl)c1F ZINC001674480138 1197783914 /nfs/dbraw/zinc/78/39/14/1197783914.db2.gz COOQQJNIYHNHKI-GFCCVEGCSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CC(C)(C)CC(F)(F)F ZINC001674495236 1197787430 /nfs/dbraw/zinc/78/74/30/1197787430.db2.gz DKBCNMJCKXPDMW-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001674624508 1197807903 /nfs/dbraw/zinc/80/79/03/1197807903.db2.gz BXBYDYIYWAGGGP-STQMWFEESA-N 0 3 307.463 3.039 20 30 DGEDHN CCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001674633320 1197811049 /nfs/dbraw/zinc/81/10/49/1197811049.db2.gz KENBGFDJSXFQEC-HUUCEWRRSA-N 0 3 320.864 3.365 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccccc1Cl ZINC001674662520 1197825437 /nfs/dbraw/zinc/82/54/37/1197825437.db2.gz XTBFVDZQHAGYBD-UONOGXRCSA-N 0 3 306.837 3.126 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001674672753 1197829808 /nfs/dbraw/zinc/82/98/08/1197829808.db2.gz IAJCBKPDWUGLQD-CHWSQXEVSA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674672222 1197830317 /nfs/dbraw/zinc/83/03/17/1197830317.db2.gz FJHYSQLUOPEOKD-KGLIPLIRSA-N 0 3 317.408 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001674714771 1197842647 /nfs/dbraw/zinc/84/26/47/1197842647.db2.gz CUTJGKGOFLGVJO-RYUDHWBXSA-N 0 3 310.388 3.160 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001674714769 1197843528 /nfs/dbraw/zinc/84/35/28/1197843528.db2.gz CUTJGKGOFLGVJO-NEPJUHHUSA-N 0 3 310.388 3.160 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001674728661 1197850127 /nfs/dbraw/zinc/85/01/27/1197850127.db2.gz IDUWDUVFPVHBQA-MSOLQXFVSA-N 0 3 314.473 3.347 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001674865718 1197894579 /nfs/dbraw/zinc/89/45/79/1197894579.db2.gz ZAGSFXKXMFEGCO-UHFFFAOYSA-N 0 3 323.868 3.332 20 30 DGEDHN C=C1CN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001675181168 1198000097 /nfs/dbraw/zinc/00/00/97/1198000097.db2.gz HRDKZLMDLQBTQI-OAHLLOKOSA-N 0 3 319.474 3.103 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001675188791 1198001906 /nfs/dbraw/zinc/00/19/06/1198001906.db2.gz VVCGVMSQDFELHC-KRWDZBQOSA-N 0 3 317.477 3.061 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001675205229 1198005554 /nfs/dbraw/zinc/00/55/54/1198005554.db2.gz HPOBOFXPACAOQV-INIZCTEOSA-N 0 3 303.450 3.116 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccco1 ZINC001675214455 1198008264 /nfs/dbraw/zinc/00/82/64/1198008264.db2.gz SVDSKWNSTFGFSN-SFHVURJKSA-N 0 3 324.424 3.210 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)C1=CCCC1 ZINC001675219365 1198011415 /nfs/dbraw/zinc/01/14/15/1198011415.db2.gz YHAJDUKLAOYBRE-FQEVSTJZSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2cc(F)ccc2Cl)C1 ZINC001675722422 1198125996 /nfs/dbraw/zinc/12/59/96/1198125996.db2.gz NVNMCJAXWBCTSI-NNUKFRKNSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](CNCc1cnc(C)s1)C1CC1 ZINC001676222120 1198253278 /nfs/dbraw/zinc/25/32/78/1198253278.db2.gz LMSNVDRNEBDLSA-MRXNPFEDSA-N 0 3 321.490 3.134 20 30 DGEDHN CCC(=CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1)CC ZINC001676331729 1198293269 /nfs/dbraw/zinc/29/32/69/1198293269.db2.gz YQHSKSKSMUEMBE-CYBMUJFWSA-N 0 3 319.474 3.303 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1ccc(OC)c(F)c1 ZINC001676355324 1198300844 /nfs/dbraw/zinc/30/08/44/1198300844.db2.gz LKBHLNHWDZWSFW-AWEZNQCLSA-N 0 3 322.424 3.127 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001676667376 1198361625 /nfs/dbraw/zinc/36/16/25/1198361625.db2.gz DQPXMTVALVQIGA-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCOCC)[C@@H]2C)CCCC1 ZINC001676898840 1198427892 /nfs/dbraw/zinc/42/78/92/1198427892.db2.gz SJIPJGGXWPSUPO-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@H]1CCCCO1)C(C)C ZINC001677201721 1198485168 /nfs/dbraw/zinc/48/51/68/1198485168.db2.gz OYROJDLMWDOBOZ-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001677219482 1198493201 /nfs/dbraw/zinc/49/32/01/1198493201.db2.gz UJFBWUWWTDUVBJ-IRXDYDNUSA-N 0 3 306.494 3.251 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H](CC)C(C)C)C1 ZINC001677440973 1198536378 /nfs/dbraw/zinc/53/63/78/1198536378.db2.gz ADYCCXXVHDWFIY-WLYUNCDWSA-N 0 3 300.874 3.390 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC=CCCC2)CC1 ZINC001678667800 1198714854 /nfs/dbraw/zinc/71/48/54/1198714854.db2.gz GJDGWQXTGQZTPE-KRWDZBQOSA-N 0 3 319.493 3.463 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001691757987 1198738165 /nfs/dbraw/zinc/73/81/65/1198738165.db2.gz PLDJKMXYISKNHL-PRMGOFHVSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)c1cc(C)ccc1C ZINC001682794721 1199199665 /nfs/dbraw/zinc/19/96/65/1199199665.db2.gz KPLFKQFSGJTHRI-GOSISDBHSA-N 0 3 315.461 3.009 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001683111100 1199235582 /nfs/dbraw/zinc/23/55/82/1199235582.db2.gz GCKKVTZMKRHVMF-CRAIPNDOSA-N 0 3 317.477 3.362 20 30 DGEDHN C=CCCC1(CNC(=O)N2CCCN(CC)CC2)CCCC1 ZINC001683823774 1199309256 /nfs/dbraw/zinc/30/92/56/1199309256.db2.gz RVCWFQFOYZCIBA-UHFFFAOYSA-N 0 3 307.482 3.250 20 30 DGEDHN C=CCCC[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC001684893307 1199423258 /nfs/dbraw/zinc/42/32/58/1199423258.db2.gz CEFPHUQVRVFVCF-NJAFHUGGSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC001685090689 1199442099 /nfs/dbraw/zinc/44/20/99/1199442099.db2.gz HAHSKNXMNXZZSG-UHFFFAOYSA-N 0 3 309.498 3.495 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C ZINC001686634538 1199577480 /nfs/dbraw/zinc/57/74/80/1199577480.db2.gz VOPLKKFTBUWAFI-MRXNPFEDSA-N 0 3 321.509 3.188 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001688878958 1199939356 /nfs/dbraw/zinc/93/93/56/1199939356.db2.gz SSIZLBVILAJTPE-MOPGFXCFSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1occc1Cl ZINC001688886739 1199942614 /nfs/dbraw/zinc/94/26/14/1199942614.db2.gz WDECTNSMBZVGIZ-STQMWFEESA-N 0 3 310.825 3.434 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnc2ccccc2c1 ZINC001688888651 1199943856 /nfs/dbraw/zinc/94/38/56/1199943856.db2.gz LKXYIRMEWUANLS-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)cc1OC)C(C)C ZINC001753844053 1199992780 /nfs/dbraw/zinc/99/27/80/1199992780.db2.gz LFBVEHLNWBYTGC-HNNXBMFYSA-N 0 3 324.852 3.100 20 30 DGEDHN C=CCCCC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001689026397 1199996807 /nfs/dbraw/zinc/99/68/07/1199996807.db2.gz OIVBEFUOCMGVJQ-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001753856046 1200004589 /nfs/dbraw/zinc/00/45/89/1200004589.db2.gz SBQKPJOMCUOILD-QZTJIDSGSA-N 0 3 300.446 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CCCF ZINC001689052164 1200009756 /nfs/dbraw/zinc/00/97/56/1200009756.db2.gz JKBASYDWICLWBE-JSGCOSHPSA-N 0 3 304.837 3.095 20 30 DGEDHN CN(CCN(C)C(=O)CC#Cc1ccccc1)Cc1ccccc1 ZINC001753869116 1200022360 /nfs/dbraw/zinc/02/23/60/1200022360.db2.gz HYMBUDNZCLFRJR-UHFFFAOYSA-N 0 3 320.436 3.019 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C=C(CC)CC)C(C)(C)[C@H]21 ZINC001689141955 1200044082 /nfs/dbraw/zinc/04/40/82/1200044082.db2.gz GEIWSKMZPCCNBO-NEWSRXKRSA-N 0 3 316.489 3.361 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC001753976435 1200057433 /nfs/dbraw/zinc/05/74/33/1200057433.db2.gz ZPKSPTFRQYMIAZ-VQTKUKTRSA-N 0 3 324.827 3.466 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)[C@H]1CC ZINC001689199974 1200059113 /nfs/dbraw/zinc/05/91/13/1200059113.db2.gz PDYMLPJPLBWVST-OKZBNKHCSA-N 0 3 318.436 3.474 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCNCc2ncc(C)s2)CC1 ZINC001753997623 1200065376 /nfs/dbraw/zinc/06/53/76/1200065376.db2.gz ZTSNOFPVBHRFDB-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C1CCCCC1 ZINC001754030973 1200077496 /nfs/dbraw/zinc/07/74/96/1200077496.db2.gz NAGKIJCQJZEMKP-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1c(Cl)oc2ccccc21 ZINC001754063909 1200090286 /nfs/dbraw/zinc/09/02/86/1200090286.db2.gz UMRMCDANOWIKKL-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001754074509 1200094699 /nfs/dbraw/zinc/09/46/99/1200094699.db2.gz XELGPWXJHQKGQR-KBPBESRZSA-N 0 3 321.490 3.240 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc([C@H](C)CC)cc1 ZINC001754085054 1200099310 /nfs/dbraw/zinc/09/93/10/1200099310.db2.gz SNNCKKCQEMCIRQ-MRXNPFEDSA-N 0 3 300.446 3.275 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccsc1C ZINC001689352823 1200105302 /nfs/dbraw/zinc/10/53/02/1200105302.db2.gz SHDANZOEAHPFMM-INIZCTEOSA-N 0 3 306.475 3.098 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CNCc1ccc(Cl)c(F)c1 ZINC001754116988 1200108966 /nfs/dbraw/zinc/10/89/66/1200108966.db2.gz ZTFYASYCDGWHBL-AATRIKPKSA-N 0 3 322.811 3.045 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1csc2cc(C)ccc21 ZINC001754125109 1200109940 /nfs/dbraw/zinc/10/99/40/1200109940.db2.gz BILPUPQKVHRMID-WAYWQWQTSA-N 0 3 312.438 3.109 20 30 DGEDHN C=CCCCC(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC001754164887 1200118999 /nfs/dbraw/zinc/11/89/99/1200118999.db2.gz QLWBIAMXIPTREF-OOFWQKGWSA-N 0 3 316.420 3.431 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001754240425 1200147390 /nfs/dbraw/zinc/14/73/90/1200147390.db2.gz QQJWDKJROZAYRE-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(Cl)sc1Cl ZINC001754313032 1200197752 /nfs/dbraw/zinc/19/77/52/1200197752.db2.gz NBDJFRPIQTYIRO-QMMMGPOBSA-N 0 3 307.246 3.291 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001754324565 1200213206 /nfs/dbraw/zinc/21/32/06/1200213206.db2.gz AIZWHDVCZPDLJW-AEFFLSMTSA-N 0 3 302.462 3.124 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001754381292 1200247332 /nfs/dbraw/zinc/24/73/32/1200247332.db2.gz BMLHUADZOSJGCR-LSDHHAIUSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cc(C)ccc1F)C1CC1 ZINC001754435629 1200262272 /nfs/dbraw/zinc/26/22/72/1200262272.db2.gz KQPRLYPCKVFBQI-KRWDZBQOSA-N 0 3 304.409 3.085 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN1CCCc1ccc(C)cc1 ZINC001754475542 1200286165 /nfs/dbraw/zinc/28/61/65/1200286165.db2.gz QDSFWPHHALFOOI-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccsc1COC ZINC001754487352 1200295992 /nfs/dbraw/zinc/29/59/92/1200295992.db2.gz HKWQUHNNXHMXCT-ZIAGYGMSSA-N 0 3 322.474 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001754490182 1200300667 /nfs/dbraw/zinc/30/06/67/1200300667.db2.gz KRPDCBYTCDDWJA-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1CC1CCC(F)(F)CC1 ZINC001754490652 1200301002 /nfs/dbraw/zinc/30/10/02/1200301002.db2.gz TUPZWGHSLBVZCV-CQSZACIVSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(C)Cc2ncccc2C)CC1 ZINC001689834625 1200302825 /nfs/dbraw/zinc/30/28/25/1200302825.db2.gz RIRDOQHHKJYADX-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001754501219 1200318584 /nfs/dbraw/zinc/31/85/84/1200318584.db2.gz VPDQFUUXAPTPKI-AWEZNQCLSA-N 0 3 314.420 3.359 20 30 DGEDHN C[C@@H](NCc1cccc(OCC#N)c1)c1ccc2c(c1)OCCO2 ZINC000124743323 1200357485 /nfs/dbraw/zinc/35/74/85/1200357485.db2.gz UTPKMDGZJDYZBQ-CQSZACIVSA-N 0 3 324.380 3.211 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001754561777 1200365867 /nfs/dbraw/zinc/36/58/67/1200365867.db2.gz DELQCHLOQXBRQE-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N(C)C1CCN(Cc2sc(C)nc2C)CC1 ZINC001690018290 1200368467 /nfs/dbraw/zinc/36/84/67/1200368467.db2.gz AEDFSYIVTCIIQE-UHFFFAOYSA-N 0 3 321.490 3.149 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001690087929 1200391118 /nfs/dbraw/zinc/39/11/18/1200391118.db2.gz URRQFHPVIYLBBI-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001690103395 1200399332 /nfs/dbraw/zinc/39/93/32/1200399332.db2.gz NEQSMNYYZAZFGU-MJGOQNOKSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C)n2cccc2)CC1 ZINC001690138448 1200415575 /nfs/dbraw/zinc/41/55/75/1200415575.db2.gz CZCBCECVZKUOIO-KRWDZBQOSA-N 0 3 317.477 3.328 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ccccn1)C1CCCC1 ZINC001754652771 1200418511 /nfs/dbraw/zinc/41/85/11/1200418511.db2.gz MRTHADNSCPPBRM-KRWDZBQOSA-N 0 3 315.461 3.058 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1ccccn1)C1CCCC1 ZINC001754652772 1200418839 /nfs/dbraw/zinc/41/88/39/1200418839.db2.gz MRTHADNSCPPBRM-QGZVFWFLSA-N 0 3 315.461 3.058 20 30 DGEDHN C#CCC1(C(=O)N[C@H](CNCCF)C2CCCC2)CCCCC1 ZINC001754656537 1200420739 /nfs/dbraw/zinc/42/07/39/1200420739.db2.gz QGNZYNUHYRBBLJ-QGZVFWFLSA-N 0 3 322.468 3.194 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001690166392 1200429215 /nfs/dbraw/zinc/42/92/15/1200429215.db2.gz CYDAKILKDKUXGF-TZIWHRDSSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001754680229 1200438825 /nfs/dbraw/zinc/43/88/25/1200438825.db2.gz ITBKBZODUSCPRU-LPHOPBHVSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001754683011 1200440564 /nfs/dbraw/zinc/44/05/64/1200440564.db2.gz QFCMLPRZZCYDNX-HNAYVOBHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001754682131 1200441459 /nfs/dbraw/zinc/44/14/59/1200441459.db2.gz JBQDOKUNRCMNEO-KSSFIOAISA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001690187296 1200441909 /nfs/dbraw/zinc/44/19/09/1200441909.db2.gz QHUQWDPQAFVGOM-YCABEKBOSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC001690199756 1200452936 /nfs/dbraw/zinc/45/29/36/1200452936.db2.gz YJTUFWVNEABWMH-JCGIZDLHSA-N 0 3 316.420 3.469 20 30 DGEDHN CC(C)C[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001690205553 1200455796 /nfs/dbraw/zinc/45/57/96/1200455796.db2.gz PFKCAHHBQSLAKA-KURKYZTESA-N 0 3 318.505 3.393 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc[nH]1 ZINC001690215258 1200457386 /nfs/dbraw/zinc/45/73/86/1200457386.db2.gz HVCXBOQNGPEWJL-HDICACEKSA-N 0 3 317.477 3.203 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2(C3CCCCC3)CC2)CC1 ZINC001754721560 1200464584 /nfs/dbraw/zinc/46/45/84/1200464584.db2.gz SNDHNEUJAGDTKD-UHFFFAOYSA-N 0 3 316.489 3.198 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001754743644 1200484683 /nfs/dbraw/zinc/48/46/83/1200484683.db2.gz PGWWCLDHAJNEDQ-ZDUSSCGKSA-N 0 3 302.409 3.072 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2ccc(CC)cc2)C1 ZINC001690298764 1200486896 /nfs/dbraw/zinc/48/68/96/1200486896.db2.gz RNCJUPIRFAPTKC-QAQDUYKDSA-N 0 3 320.864 3.171 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](CC)CCC)C2)CC1 ZINC001754783968 1200487135 /nfs/dbraw/zinc/48/71/35/1200487135.db2.gz SNLJANZAWWNBKU-MJGOQNOKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2nc(C)c(C)s2)C1 ZINC001754787375 1200489302 /nfs/dbraw/zinc/48/93/02/1200489302.db2.gz JHUOPDRVBICCJW-HIFRSBDPSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001690309243 1200492941 /nfs/dbraw/zinc/49/29/41/1200492941.db2.gz SLUKCXARYYHPIL-ZPBUGBQPSA-N 0 3 322.880 3.434 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001690328848 1200499148 /nfs/dbraw/zinc/49/91/48/1200499148.db2.gz JANFZYFOPUJOOO-OKILXGFUSA-N 0 3 306.837 3.351 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001690383189 1200527406 /nfs/dbraw/zinc/52/74/06/1200527406.db2.gz JZAPSSHVSWZUMM-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1CC ZINC001754946565 1200548748 /nfs/dbraw/zinc/54/87/48/1200548748.db2.gz MZXFALODSGRZII-CRAIPNDOSA-N 0 3 300.446 3.357 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)n2cccc2)cc1 ZINC001754947021 1200549451 /nfs/dbraw/zinc/54/94/51/1200549451.db2.gz CUCXZVCRZKZQRR-SJORKVTESA-N 0 3 323.440 3.039 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2(C(C)(F)F)CC2)cc1 ZINC001754948979 1200550265 /nfs/dbraw/zinc/55/02/65/1200550265.db2.gz TYOFXBCTNXHZLG-ZDUSSCGKSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2CC3(CC3)C2)cc1 ZINC001754948977 1200550406 /nfs/dbraw/zinc/55/04/06/1200550406.db2.gz TXEFPPMQTSNSKM-OAHLLOKOSA-N 0 3 310.441 3.167 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](OCC)C1CCCC1 ZINC001690450433 1200564549 /nfs/dbraw/zinc/56/45/49/1200564549.db2.gz JIQMAJJBPOKOCT-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001690450432 1200565923 /nfs/dbraw/zinc/56/59/23/1200565923.db2.gz JIQMAJJBPOKOCT-MSOLQXFVSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC(C)(C)C(F)(F)F ZINC001690459163 1200573297 /nfs/dbraw/zinc/57/32/97/1200573297.db2.gz MDFQFSPASYADRQ-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001690497778 1200592935 /nfs/dbraw/zinc/59/29/35/1200592935.db2.gz BHACBJUMAYVQNP-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001755030840 1200594340 /nfs/dbraw/zinc/59/43/40/1200594340.db2.gz ITACKBNWBVIJJY-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001690538559 1200612970 /nfs/dbraw/zinc/61/29/70/1200612970.db2.gz JWMAUDBCHSAGOW-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001755045856 1200616454 /nfs/dbraw/zinc/61/64/54/1200616454.db2.gz LAAYBKBBYMXVAG-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001690643076 1200666775 /nfs/dbraw/zinc/66/67/75/1200666775.db2.gz JCFFWICXWXOZEC-INIZCTEOSA-N 0 3 306.409 3.085 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC2(C)CCCCC2)C[C@@H]1C ZINC001755162534 1200668308 /nfs/dbraw/zinc/66/83/08/1200668308.db2.gz WGFPXDWSBGAJKE-DLBZAZTESA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(CC)CCCCC2)C[C@H]1C ZINC001755165691 1200672330 /nfs/dbraw/zinc/67/23/30/1200672330.db2.gz QCNYDVOYWQFZTJ-IAGOWNOFSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CNCc2c(F)cccc2Cl)C1 ZINC001690702000 1200686048 /nfs/dbraw/zinc/68/60/48/1200686048.db2.gz TVXNYDMSMGUBQV-CYBMUJFWSA-N 0 3 324.827 3.383 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(C)cc1 ZINC001755194650 1200692727 /nfs/dbraw/zinc/69/27/27/1200692727.db2.gz XFNQAANDUCOMBY-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1sccc1Cl ZINC001755229055 1200718680 /nfs/dbraw/zinc/71/86/80/1200718680.db2.gz WJPQYVOEACCQGF-WDEREUQCSA-N 0 3 300.855 3.351 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001755231124 1200720732 /nfs/dbraw/zinc/72/07/32/1200720732.db2.gz PVRUGMKDRBPJPU-QTMMWEQMSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001690802074 1200721356 /nfs/dbraw/zinc/72/13/56/1200721356.db2.gz IOKRTNRIZQMEHW-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)N[C@H](C)c1nc2ccccc2o1 ZINC001690835846 1200742517 /nfs/dbraw/zinc/74/25/17/1200742517.db2.gz NQCJWWLKEYTQKS-ZIAGYGMSSA-N 0 3 315.417 3.339 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H](C)NCc1cc(O)ccc1Cl ZINC001690844611 1200746663 /nfs/dbraw/zinc/74/66/63/1200746663.db2.gz IADNCCAXQSEBGQ-CYBMUJFWSA-N 0 3 324.852 3.386 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccc(C)c(C)c1)c1ccccc1 ZINC001691801943 1200813496 /nfs/dbraw/zinc/81/34/96/1200813496.db2.gz YGLCSDPXBMOQGZ-HXUWFJFHSA-N 0 3 322.452 3.479 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)CCC1 ZINC001691842203 1200831980 /nfs/dbraw/zinc/83/19/80/1200831980.db2.gz OSRHTFUNJQCDET-ZWKOTPCHSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccc(C)c2C)C1 ZINC001691867217 1200847701 /nfs/dbraw/zinc/84/77/01/1200847701.db2.gz PBYQWYXEKFRGRG-SFHVURJKSA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001755374610 1200862430 /nfs/dbraw/zinc/86/24/30/1200862430.db2.gz SFQUMYFRASXOGJ-KRWDZBQOSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001755399911 1200875956 /nfs/dbraw/zinc/87/59/56/1200875956.db2.gz USAKXEWPGKZJRI-IEBWSBKVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2scnc2CC)C(C)(C)C1 ZINC001755412078 1200884725 /nfs/dbraw/zinc/88/47/25/1200884725.db2.gz KDRLZHAOJSVNAZ-AWEZNQCLSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCOc2ccccc2)[C@@H]1CC ZINC001691954812 1200884652 /nfs/dbraw/zinc/88/46/52/1200884652.db2.gz WUVYRZFTOOLAHD-ZWKOTPCHSA-N 0 3 316.445 3.001 20 30 DGEDHN C#CCCCC(=O)N1CC2(C[C@H]1C)CCN(C[C@@H](F)CC)CC2 ZINC001691960242 1200887246 /nfs/dbraw/zinc/88/72/46/1200887246.db2.gz NNHJTHJKIWMJPP-SJORKVTESA-N 0 3 322.468 3.241 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)Cc2cnc(C)s2)C1 ZINC001691964636 1200889158 /nfs/dbraw/zinc/88/91/58/1200889158.db2.gz BQSCIMYVLHBSGB-HNNXBMFYSA-N 0 3 321.490 3.088 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC001755524538 1200932254 /nfs/dbraw/zinc/93/22/54/1200932254.db2.gz KVOSHWPUSZMWLF-ZDUSSCGKSA-N 0 3 319.836 3.409 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001692148731 1200947809 /nfs/dbraw/zinc/94/78/09/1200947809.db2.gz JVCAEIYEPGEAFR-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN C[C@H](CN(C)C(=O)C1CCCCC1)NCC#Cc1ccccc1 ZINC001755576556 1200964743 /nfs/dbraw/zinc/96/47/43/1200964743.db2.gz WFRGQWTZDXPMNC-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(F)cc2F)[C@H]1C ZINC001692216648 1200973869 /nfs/dbraw/zinc/97/38/69/1200973869.db2.gz LZHRHHYGRZJTTC-DYVFJYSZSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001692246677 1200984683 /nfs/dbraw/zinc/98/46/83/1200984683.db2.gz PDCKGKDMJHOEDT-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1cccc(C)c1 ZINC001692255158 1200989791 /nfs/dbraw/zinc/98/97/91/1200989791.db2.gz ZEAXNAMNHVTPAT-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN CCCCCCCNCc1nc2c(s1)CCN(C(C)=O)C2 ZINC001692263518 1200994356 /nfs/dbraw/zinc/99/43/56/1200994356.db2.gz LRECDDHSNWOHJH-UHFFFAOYSA-N 0 3 309.479 3.108 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H](C)NC/C=C\Cl)CCCCC1 ZINC001755619706 1200995312 /nfs/dbraw/zinc/99/53/12/1200995312.db2.gz ZHJNEDXQMJOTQR-PINLSGDHSA-N 0 3 310.869 3.149 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001755618784 1200995631 /nfs/dbraw/zinc/99/56/31/1200995631.db2.gz ZHBZVIYZUWCPBZ-QGZVFWFLSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2scnc2C)[C@H]1C ZINC001755654928 1200997854 /nfs/dbraw/zinc/99/78/54/1200997854.db2.gz RAWYQYYJEDKJBE-ZIAGYGMSSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2ncccc2C)C[C@H]1C ZINC001755677453 1201009870 /nfs/dbraw/zinc/00/98/70/1201009870.db2.gz XWNFQMQFVNMWRP-HZPDHXFCSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCC2 ZINC001692376145 1201043380 /nfs/dbraw/zinc/04/33/80/1201043380.db2.gz FHYVBDBXRPESQP-ULQDDVLXSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001692377121 1201043409 /nfs/dbraw/zinc/04/34/09/1201043409.db2.gz VZTIIDNGIFXTML-OALUTQOASA-N 0 3 312.457 3.179 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC2 ZINC001692384371 1201046226 /nfs/dbraw/zinc/04/62/26/1201046226.db2.gz KIHHKHKGXYBFBO-XPGWFJOJSA-N 0 3 324.468 3.429 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001692399556 1201055153 /nfs/dbraw/zinc/05/51/53/1201055153.db2.gz GVKVQIYEJZEHFU-SFHVURJKSA-N 0 3 302.462 3.446 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2csc(C)n2)C1 ZINC001755742195 1201057227 /nfs/dbraw/zinc/05/72/27/1201057227.db2.gz BIPTVIZLXZAERL-KBPBESRZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2scnc2C)C(C)(C)C1 ZINC001755758258 1201065334 /nfs/dbraw/zinc/06/53/34/1201065334.db2.gz WOPBVOHAQLWEEV-OAHLLOKOSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1coc(C(C)(C)C)n1)C(C)C ZINC001755810338 1201072398 /nfs/dbraw/zinc/07/23/98/1201072398.db2.gz GQDNCBOTIRUBQZ-UHFFFAOYSA-N 0 3 321.465 3.331 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cnc(CC(C)C)s1)C(C)C ZINC001755815235 1201079113 /nfs/dbraw/zinc/07/91/13/1201079113.db2.gz FFUKPARNLZXHPA-UHFFFAOYSA-N 0 3 323.506 3.310 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2cccc(F)c2F)C1 ZINC001755858236 1201109404 /nfs/dbraw/zinc/10/94/04/1201109404.db2.gz VAGZADKZNSAQCR-UHFFFAOYSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCc2cccc(Cl)n2)C1 ZINC001755861185 1201110999 /nfs/dbraw/zinc/11/09/99/1201110999.db2.gz LLHNHGHCPINPCI-UHFFFAOYSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(C3CCCCC3)CC2)CC1 ZINC001755898629 1201126160 /nfs/dbraw/zinc/12/61/60/1201126160.db2.gz TWKTWNCVNQXAKJ-UHFFFAOYSA-N 0 3 302.462 3.281 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001698572081 1201241397 /nfs/dbraw/zinc/24/13/97/1201241397.db2.gz YIDGSOAXGLCEHY-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=C1CCC(C(=O)N(CC)[C@H]2CCN(CCOC(C)C)C2)CC1 ZINC001753459065 1201258779 /nfs/dbraw/zinc/25/87/79/1201258779.db2.gz KXUJMAJYFMTGAF-SFHVURJKSA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)N[C@@H](C)c1ccccc1F ZINC001698596067 1201268881 /nfs/dbraw/zinc/26/88/81/1201268881.db2.gz ILIQMBIJMPUZPM-LSDHHAIUSA-N 0 3 318.436 3.421 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1ccnc(Cl)c1 ZINC001698614302 1201285490 /nfs/dbraw/zinc/28/54/90/1201285490.db2.gz ZHYGWQTZSGDNLF-WMLDXEAASA-N 0 3 323.868 3.322 20 30 DGEDHN C[C@@H](C(=O)NC1(CNCC#Cc2ccccc2)CCCC1)C1CC1 ZINC001698628705 1201296938 /nfs/dbraw/zinc/29/69/38/1201296938.db2.gz XBPCTTPHHQPQNR-QGZVFWFLSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2cccc(F)c2)CCCC1 ZINC001698638593 1201304319 /nfs/dbraw/zinc/30/43/19/1201304319.db2.gz IUFGLCYHZWZBGU-UHFFFAOYSA-N 0 3 324.827 3.139 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(C)(C)C2CCC2)cc1 ZINC001698716005 1201354892 /nfs/dbraw/zinc/35/48/92/1201354892.db2.gz DCPZBBOUKXMQNX-UHFFFAOYSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H](C)CCC)cc1 ZINC001698717328 1201357197 /nfs/dbraw/zinc/35/71/97/1201357197.db2.gz MXNVVBGYUOWJPN-INIZCTEOSA-N 0 3 300.446 3.242 20 30 DGEDHN C=C(C)CCC(=O)NCCC1CCN(Cc2cnoc2C)CC1 ZINC001698721344 1201362443 /nfs/dbraw/zinc/36/24/43/1201362443.db2.gz MZJRNQVGTPCANG-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCCn2cccc2)CCCC1 ZINC001698803090 1201433660 /nfs/dbraw/zinc/43/36/60/1201433660.db2.gz DJSSGTSDUGWTQZ-UHFFFAOYSA-N 0 3 323.868 3.039 20 30 DGEDHN CCC[C@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001698817693 1201461856 /nfs/dbraw/zinc/46/18/56/1201461856.db2.gz XYZFRLQFCCMDLA-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001698820664 1201471441 /nfs/dbraw/zinc/47/14/41/1201471441.db2.gz DFBJYEPOVIOYBI-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001698868860 1201527882 /nfs/dbraw/zinc/52/78/82/1201527882.db2.gz BZZMBHQSRJDNDP-MJGOQNOKSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2cscn2)[C@@H](C)C1 ZINC001698892890 1201557806 /nfs/dbraw/zinc/55/78/06/1201557806.db2.gz PGEXPVJQSPVCPW-DZGCQCFKSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CCNCc1cc(C)no1 ZINC001698915664 1201573223 /nfs/dbraw/zinc/57/32/23/1201573223.db2.gz CFMIBYNGHWHEKY-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](NCc2ccns2)C(C)C)CCC1 ZINC001698970786 1201626181 /nfs/dbraw/zinc/62/61/81/1201626181.db2.gz BWCIKCQVZAKYHC-OAHLLOKOSA-N 0 3 321.490 3.120 20 30 DGEDHN CCC1(C(=O)N[C@H](C)CCNCc2ccccc2C#N)CCC1 ZINC001699125224 1201720948 /nfs/dbraw/zinc/72/09/48/1201720948.db2.gz MVESIYJUSHPAII-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1nc(C)sc1C ZINC001699126115 1201722012 /nfs/dbraw/zinc/72/20/12/1201722012.db2.gz IZKQSEYAMOLASR-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC001699135363 1201723890 /nfs/dbraw/zinc/72/38/90/1201723890.db2.gz NQTRXUCPGFKCTL-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@@H](CC)c1ccccc1 ZINC001699214854 1201757680 /nfs/dbraw/zinc/75/76/80/1201757680.db2.gz SSLONVRUUJQKST-QGZVFWFLSA-N 0 3 300.446 3.032 20 30 DGEDHN C=CCCC(=O)NC/C=C/CNCc1ccc(Cl)cc1C ZINC001699238472 1201768265 /nfs/dbraw/zinc/76/82/65/1201768265.db2.gz LNBFSUQFIAJLPV-AATRIKPKSA-N 0 3 306.837 3.377 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1ccoc1C ZINC001752165641 1201789338 /nfs/dbraw/zinc/78/93/38/1201789338.db2.gz DNNPLLAIXLLPNJ-UHFFFAOYSA-N 0 3 324.424 3.082 20 30 DGEDHN CCN(CCCNC(=O)CC(C)(C)C)Cc1ccc(C#N)s1 ZINC001752164834 1201789373 /nfs/dbraw/zinc/78/93/73/1201789373.db2.gz FTNSTVKMOSVTLM-UHFFFAOYSA-N 0 3 321.490 3.384 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001699378715 1201825816 /nfs/dbraw/zinc/82/58/16/1201825816.db2.gz PEAVKFPQZQQVSE-CHWSQXEVSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1cc(C)ccc1OC ZINC001699379197 1201826429 /nfs/dbraw/zinc/82/64/29/1201826429.db2.gz ZNAWGEKVGJAXLB-DNVCBOLYSA-N 0 3 318.461 3.200 20 30 DGEDHN 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VYEMOZSZLVKVTE-AHRSYUTCSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001700642392 1202327492 /nfs/dbraw/zinc/32/74/92/1202327492.db2.gz IBAKMBCLZAHNOM-HDJSIYSDSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1ccc(C)cc1 ZINC001700663105 1202330924 /nfs/dbraw/zinc/33/09/24/1202330924.db2.gz BYBAQAYIVKHEFF-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1cccc(C)c1 ZINC001700671566 1202332042 /nfs/dbraw/zinc/33/20/42/1202332042.db2.gz LCMCKKJWOPWMSJ-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](CC)SC ZINC001753778813 1202332419 /nfs/dbraw/zinc/33/24/19/1202332419.db2.gz GDKQQRWVMOAMJI-KGLIPLIRSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](C)n1cccc1 ZINC001753778626 1202332521 /nfs/dbraw/zinc/33/25/21/1202332521.db2.gz ARHLOCFFFSWOLJ-HZPDHXFCSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001700675229 1202332592 /nfs/dbraw/zinc/33/25/92/1202332592.db2.gz CYRSQHDATYLYIP-CHWSQXEVSA-N 0 3 314.882 3.479 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001753779395 1202332698 /nfs/dbraw/zinc/33/26/98/1202332698.db2.gz JPTKQGAWOJDHQG-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN CCCCC(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC001753824835 1202341563 /nfs/dbraw/zinc/34/15/63/1202341563.db2.gz QGUVOVDLYCIJCU-GOSISDBHSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(Cl)o1)C(C)C ZINC001753824626 1202341904 /nfs/dbraw/zinc/34/19/04/1202341904.db2.gz MSSWVKWSONKWLQ-SNVBAGLBSA-N 0 3 305.205 3.030 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cscc1C)C(C)C ZINC001753826904 1202342872 /nfs/dbraw/zinc/34/28/72/1202342872.db2.gz FDTURFKIHMVMMP-ZDUSSCGKSA-N 0 3 300.855 3.153 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](CNCc1ccns1)C1CC1 ZINC001700724523 1202343321 /nfs/dbraw/zinc/34/33/21/1202343321.db2.gz WFHLFXWNYSOHCD-OAHLLOKOSA-N 0 3 321.490 3.072 20 30 DGEDHN Cc1cccc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)c1 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30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccsc2)[C@@H]1C ZINC001700876677 1202363635 /nfs/dbraw/zinc/36/36/35/1202363635.db2.gz MNBXLWGPHVHZBX-GOEBONIOSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCOCCC(C)C)[C@H]1C ZINC001700880416 1202364769 /nfs/dbraw/zinc/36/47/69/1202364769.db2.gz LWTCNLWKBNYBGI-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](CNCc2nc(C)cs2)C1 ZINC001700902669 1202367954 /nfs/dbraw/zinc/36/79/54/1202367954.db2.gz QQJZUMLHDKQTRX-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2nc(C)cs2)C1 ZINC001700902668 1202368112 /nfs/dbraw/zinc/36/81/12/1202368112.db2.gz QQJZUMLHDKQTRX-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001700920441 1202370474 /nfs/dbraw/zinc/37/04/74/1202370474.db2.gz ZVLPAHMUSCJFAB-KLQCNHIUSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC1CC(F)(F)C1)C(C)C ZINC001700973762 1202373865 /nfs/dbraw/zinc/37/38/65/1202373865.db2.gz LZODENGVUOGGBP-UHFFFAOYSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCC(CC=C)C(=O)NC1(C2CCN(CC#CC)CC2)CC1 ZINC001701031778 1202384106 /nfs/dbraw/zinc/38/41/06/1202384106.db2.gz GZNMUYGSDKESBK-UHFFFAOYSA-N 0 3 314.473 3.139 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2ccc(Cl)s2)CC1 ZINC001701061122 1202386261 /nfs/dbraw/zinc/38/62/61/1202386261.db2.gz LXGLMNBISHFKQZ-UHFFFAOYSA-N 0 3 324.877 3.268 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001707046427 1202568884 /nfs/dbraw/zinc/56/88/84/1202568884.db2.gz HZGKKFFJHYABBN-CABCVRRESA-N 0 3 319.449 3.299 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001707051060 1202569571 /nfs/dbraw/zinc/56/95/71/1202569571.db2.gz GANACVUKZKOBEI-GOEBONIOSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001707051524 1202569658 /nfs/dbraw/zinc/56/96/58/1202569658.db2.gz HPAKYLJJXNISQG-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001707053231 1202569707 /nfs/dbraw/zinc/56/97/07/1202569707.db2.gz HRTHPJJKTYZZSA-HOTGVXAUSA-N 0 3 304.434 3.190 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001707053843 1202569945 /nfs/dbraw/zinc/56/99/45/1202569945.db2.gz NCGFJIHOSHHZQS-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001707085302 1202572534 /nfs/dbraw/zinc/57/25/34/1202572534.db2.gz PAXLPOAKRSRXQJ-KOMQPUFPSA-N 0 3 318.436 3.412 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001707097427 1202573303 /nfs/dbraw/zinc/57/33/03/1202573303.db2.gz LBZCCBHTQKGAQW-RBUKOAKNSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cnccc1C ZINC001707445260 1202585345 /nfs/dbraw/zinc/58/53/45/1202585345.db2.gz WQWSKKRTKTZYQY-ZBFHGGJFSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnccc1C ZINC001707445256 1202585383 /nfs/dbraw/zinc/58/53/83/1202585383.db2.gz WQWSKKRTKTZYQY-HOCLYGCPSA-N 0 3 321.852 3.115 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001724179939 1202597601 /nfs/dbraw/zinc/59/76/01/1202597601.db2.gz RSPIMNFELMCPQC-VQIMIIECSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2cccnc2C)C1 ZINC001713022467 1202610756 /nfs/dbraw/zinc/61/07/56/1202610756.db2.gz GSPYZZRBEYDYTA-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C1CCN(CC=C)CC1)c1ccccc1 ZINC001713056804 1202613350 /nfs/dbraw/zinc/61/33/50/1202613350.db2.gz PKKVTZKCHALXBN-LJQANCHMSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC001713059977 1202613914 /nfs/dbraw/zinc/61/39/14/1202613914.db2.gz TXNVCSUIOIPQPY-QGZVFWFLSA-N 0 3 319.424 3.161 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001713082977 1202615082 /nfs/dbraw/zinc/61/50/82/1202615082.db2.gz JFBVMWSXWGVOPI-CQSZACIVSA-N 0 3 323.506 3.480 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001713097671 1202616734 /nfs/dbraw/zinc/61/67/34/1202616734.db2.gz XDKXEJNUJSVVMI-ZJIBPLLGSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1ccnc(Cl)c1)C1CC1 ZINC001713111312 1202618180 /nfs/dbraw/zinc/61/81/80/1202618180.db2.gz NTECKIXXBADQND-HNNXBMFYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001713114862 1202618383 /nfs/dbraw/zinc/61/83/83/1202618383.db2.gz SDFIFECODSSPCQ-LBPRGKRZSA-N 0 3 319.276 3.392 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H](CN(C)C[C@H](F)CC)C1 ZINC001713133276 1202620460 /nfs/dbraw/zinc/62/04/60/1202620460.db2.gz QFBWRBXZXCOFRL-DLBZAZTESA-N 0 3 310.457 3.099 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H](CN(C)C[C@H](F)CC)C1 ZINC001713133277 1202620640 /nfs/dbraw/zinc/62/06/40/1202620640.db2.gz QFBWRBXZXCOFRL-IAGOWNOFSA-N 0 3 310.457 3.099 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001713143120 1202621755 /nfs/dbraw/zinc/62/17/55/1202621755.db2.gz SMUZNNCQEDAMEM-GASCZTMLSA-N 0 3 314.420 3.453 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713160993 1202623009 /nfs/dbraw/zinc/62/30/09/1202623009.db2.gz FGKSSPGJUJWFTI-IYARVYRRSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001713187902 1202625327 /nfs/dbraw/zinc/62/53/27/1202625327.db2.gz SUSOFKSSFOCHGE-BNOWGMLFSA-N 0 3 308.372 3.229 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2C)C1 ZINC001713210992 1202627353 /nfs/dbraw/zinc/62/73/53/1202627353.db2.gz BKTMHCDOZDGGRU-MRXNPFEDSA-N 0 3 318.436 3.429 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CSCCC ZINC001713269718 1202633516 /nfs/dbraw/zinc/63/35/16/1202633516.db2.gz JEDMNMBZFOGBKA-JKSUJKDBSA-N 0 3 310.507 3.161 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001713282455 1202635526 /nfs/dbraw/zinc/63/55/26/1202635526.db2.gz OWFTVLYHBRVJKB-FEGYBXCISA-N 0 3 324.468 3.349 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC001713398110 1202645424 /nfs/dbraw/zinc/64/54/24/1202645424.db2.gz UQMBNASBSXWEQG-ZDUSSCGKSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC001713410102 1202646991 /nfs/dbraw/zinc/64/69/91/1202646991.db2.gz GDWHIDHUJADHAU-RDFMZFSFSA-N 0 3 324.827 3.466 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccncc1C ZINC001713431777 1202649280 /nfs/dbraw/zinc/64/92/80/1202649280.db2.gz MVQVLIIFMFKXNF-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001713475199 1202655592 /nfs/dbraw/zinc/65/55/92/1202655592.db2.gz NGHZVMJPSWUIBM-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)CCc1c(F)cccc1F ZINC001713490089 1202658781 /nfs/dbraw/zinc/65/87/81/1202658781.db2.gz SAUWVPZMOFXVPV-UHFFFAOYSA-N 0 3 324.415 3.158 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001713530835 1202665726 /nfs/dbraw/zinc/66/57/26/1202665726.db2.gz NHYCZOGCEOTFOI-QGZVFWFLSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001713534031 1202665952 /nfs/dbraw/zinc/66/59/52/1202665952.db2.gz OIXLUIUKDUDCGA-WBVHZDCISA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)CCc1ccc(Cl)cc1 ZINC001713548362 1202668383 /nfs/dbraw/zinc/66/83/83/1202668383.db2.gz FGPZYJZYYJJIMI-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001713553218 1202669501 /nfs/dbraw/zinc/66/95/01/1202669501.db2.gz IHJYPMYMEYUTPJ-MRXNPFEDSA-N 0 3 300.446 3.275 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1c(C)cccc1Cl)C1CC1 ZINC001713559847 1202670562 /nfs/dbraw/zinc/67/05/62/1202670562.db2.gz KKGQFHQTIYCUKA-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(C(F)(F)F)CCCC1)C1CC1 ZINC001713565972 1202671569 /nfs/dbraw/zinc/67/15/69/1202671569.db2.gz HTJPUFTUCURCDB-UHFFFAOYSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCN(CCNC(=O)CC1C2CC3CC(C2)CC1C3)C1CC1 ZINC001713566411 1202671761 /nfs/dbraw/zinc/67/17/61/1202671761.db2.gz WYNGITNVQPPQKY-UHFFFAOYSA-N 0 3 316.489 3.215 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1ccc(C)s1)C1CC1 ZINC001713566486 1202671938 /nfs/dbraw/zinc/67/19/38/1202671938.db2.gz ZNRAJPLVJUHDCL-UHFFFAOYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1cc(C)ccc1OC ZINC001713595134 1202672847 /nfs/dbraw/zinc/67/28/47/1202672847.db2.gz SZGYFSUETNEHPR-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC001713700992 1202678636 /nfs/dbraw/zinc/67/86/36/1202678636.db2.gz JYCIOUJERHHMQT-SFHVURJKSA-N 0 3 319.408 3.415 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001713718090 1202681050 /nfs/dbraw/zinc/68/10/50/1202681050.db2.gz YNEQQUIHNADBPB-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccccc2CC)C1 ZINC001713720150 1202681380 /nfs/dbraw/zinc/68/13/80/1202681380.db2.gz PACSJESVCPJXPM-GOSISDBHSA-N 0 3 312.457 3.199 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2ncccc2C)C1 ZINC001713755392 1202686643 /nfs/dbraw/zinc/68/66/43/1202686643.db2.gz BZNYIWMMPMADBW-KRWDZBQOSA-N 0 3 315.461 3.027 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN(C[C@@H](C)OC)C2)CCCCC1 ZINC001713802582 1202692023 /nfs/dbraw/zinc/69/20/23/1202692023.db2.gz OKTVLLSNYBFMSM-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001713848540 1202695520 /nfs/dbraw/zinc/69/55/20/1202695520.db2.gz AVQGZLGUTHXUOA-QZTJIDSGSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001713858718 1202696448 /nfs/dbraw/zinc/69/64/48/1202696448.db2.gz SYQYVDXRPRPVFI-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)Cc2ocnc2C)C1 ZINC001713890693 1202699728 /nfs/dbraw/zinc/69/97/28/1202699728.db2.gz ADZNJBBJROVTAF-MRXNPFEDSA-N 0 3 319.449 3.010 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)Cc2ocnc2C)C1 ZINC001713890692 1202699812 /nfs/dbraw/zinc/69/98/12/1202699812.db2.gz ADZNJBBJROVTAF-INIZCTEOSA-N 0 3 319.449 3.010 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(CCc2ccc(C)cc2)C1 ZINC001713914002 1202701892 /nfs/dbraw/zinc/70/18/92/1202701892.db2.gz LDURZULNNKEPQL-UHFFFAOYSA-N 0 3 314.473 3.188 20 30 DGEDHN C=CCCCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001713916298 1202701998 /nfs/dbraw/zinc/70/19/98/1202701998.db2.gz LKIIBZFVUWEJGE-INIZCTEOSA-N 0 3 300.446 3.460 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001713941098 1202704045 /nfs/dbraw/zinc/70/40/45/1202704045.db2.gz NATZDVUYGAXVDV-QAQDUYKDSA-N 0 3 318.848 3.119 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713946997 1202704476 /nfs/dbraw/zinc/70/44/76/1202704476.db2.gz CZRWXLVZMJYBAP-BHIYHBOVSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001713978812 1202712108 /nfs/dbraw/zinc/71/21/08/1202712108.db2.gz SJAASKSLVYUGMD-MRXNPFEDSA-N 0 3 306.475 3.412 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccc(C)cc2C)C1 ZINC001714046177 1202749328 /nfs/dbraw/zinc/74/93/28/1202749328.db2.gz YYNATDPJEADHEK-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001714053945 1202754852 /nfs/dbraw/zinc/75/48/52/1202754852.db2.gz QSEXXOABDZGBAJ-QUCCMNQESA-N 0 3 324.468 3.292 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC1(C(F)(F)F)CC1 ZINC001714108203 1202780889 /nfs/dbraw/zinc/78/08/89/1202780889.db2.gz OERQWGRWFQJODY-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cc(C)cc(C)c1 ZINC001714110297 1202782598 /nfs/dbraw/zinc/78/25/98/1202782598.db2.gz AQWYMLQTBRYGTA-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCCCCN1CCCC[C@H]1CNC(=O)c1nccs1 ZINC001714113405 1202784878 /nfs/dbraw/zinc/78/48/78/1202784878.db2.gz AENULOWATMNIDQ-HNNXBMFYSA-N 0 3 321.490 3.474 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001714114210 1202785490 /nfs/dbraw/zinc/78/54/90/1202785490.db2.gz LGOUGXMNYNSFTO-LBPRGKRZSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2ccccn2)CCCC1 ZINC001714124530 1202791198 /nfs/dbraw/zinc/79/11/98/1202791198.db2.gz CROVZEYQMZZBIS-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001714142043 1202797836 /nfs/dbraw/zinc/79/78/36/1202797836.db2.gz CTBKYNNXQVEMKL-SFDDJJRUSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(CC=C)CC=C ZINC001714143522 1202798824 /nfs/dbraw/zinc/79/88/24/1202798824.db2.gz DANHTPRCUXDQQI-MOPGFXCFSA-N 0 3 314.473 3.234 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccoc1CCC)C1CC1 ZINC001714175038 1202815865 /nfs/dbraw/zinc/81/58/65/1202815865.db2.gz VVGXQDNYDZZNFE-QGZVFWFLSA-N 0 3 324.852 3.473 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001714270438 1202856276 /nfs/dbraw/zinc/85/62/76/1202856276.db2.gz YWOYSBJTOFZFCW-QWHCGFSZSA-N 0 3 310.388 3.476 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N[C@@H](C)c2ccccc2F)C1 ZINC001714274329 1202858434 /nfs/dbraw/zinc/85/84/34/1202858434.db2.gz UPRJXLFMACLKHY-KGLIPLIRSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2ccncc2Cl)CC1 ZINC001714296370 1202868804 /nfs/dbraw/zinc/86/88/04/1202868804.db2.gz LTFUREWVHTZXAR-SHTZXODSSA-N 0 3 321.852 3.218 20 30 DGEDHN C/C=C(\C)C(=O)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC001714325522 1202884075 /nfs/dbraw/zinc/88/40/75/1202884075.db2.gz STMKLKQXXQIOEJ-JFQJCAQQSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC001714406177 1202915811 /nfs/dbraw/zinc/91/58/11/1202915811.db2.gz FIRNDZWEFCPOKM-CVEARBPZSA-N 0 3 319.449 3.165 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001714436266 1202933229 /nfs/dbraw/zinc/93/32/29/1202933229.db2.gz PZOGBGDZMIJASA-CWUFLNSKSA-N 0 3 324.468 3.426 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001714444880 1202937526 /nfs/dbraw/zinc/93/75/26/1202937526.db2.gz CLZXKTPKIPFUFO-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(CCC)cc1 ZINC001714486687 1202957412 /nfs/dbraw/zinc/95/74/12/1202957412.db2.gz LIKRACMRMRCTFY-CQSZACIVSA-N 0 3 308.853 3.490 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1cccc(OC)c1 ZINC001714501025 1202964577 /nfs/dbraw/zinc/96/45/77/1202964577.db2.gz WQNWBZRJKLGJML-ZIAGYGMSSA-N 0 3 324.852 3.036 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001714515259 1202975650 /nfs/dbraw/zinc/97/56/50/1202975650.db2.gz XRUBPPVNUKHRBT-AGIUHOORSA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1[nH]ccc1C ZINC001714514892 1202975732 /nfs/dbraw/zinc/97/57/32/1202975732.db2.gz TYJCNPFRROTGRZ-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN Cc1cccc(CN2CC3(C2)CCN(C(=O)C#CC(C)C)CC3)c1 ZINC001714518594 1202976394 /nfs/dbraw/zinc/97/63/94/1202976394.db2.gz TUOSRTFVSYOGOR-UHFFFAOYSA-N 0 3 324.468 3.079 20 30 DGEDHN CCCC(C)(C)C(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001714588850 1203028196 /nfs/dbraw/zinc/02/81/96/1203028196.db2.gz BSGDDJQJLCWQMP-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001714597546 1203037556 /nfs/dbraw/zinc/03/75/56/1203037556.db2.gz OPJBHTPXVJKOOO-CQSZACIVSA-N 0 3 300.402 3.160 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001714597797 1203037778 /nfs/dbraw/zinc/03/77/78/1203037778.db2.gz QTLKAMNUPAARQZ-ZDUSSCGKSA-N 0 3 324.827 3.075 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001714611678 1203049036 /nfs/dbraw/zinc/04/90/36/1203049036.db2.gz GJFWFEMBWZWWAP-MRXNPFEDSA-N 0 3 306.475 3.493 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001714616631 1203050734 /nfs/dbraw/zinc/05/07/34/1203050734.db2.gz DPBARLIHQLTGLN-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001714625871 1203061300 /nfs/dbraw/zinc/06/13/00/1203061300.db2.gz NWENVIKFSHZGNL-KRWDZBQOSA-N 0 3 314.473 3.429 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001714632894 1203063539 /nfs/dbraw/zinc/06/35/39/1203063539.db2.gz GRZOIEUAAALZJO-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)nc2ccccc21 ZINC001714659116 1203083876 /nfs/dbraw/zinc/08/38/76/1203083876.db2.gz GWLRODRNWNAJEZ-UHFFFAOYSA-N 0 3 323.440 3.008 20 30 DGEDHN C=CCN(CCNC(=O)C1(CC)CCC(F)(F)CC1)C1CC1 ZINC001714666576 1203089642 /nfs/dbraw/zinc/08/96/42/1203089642.db2.gz BRQAPBNGDJZBOV-UHFFFAOYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccc(F)cc2)C1 ZINC001714853163 1203153097 /nfs/dbraw/zinc/15/30/97/1203153097.db2.gz PLWHCPOOJVYFOL-KRWDZBQOSA-N 0 3 304.409 3.328 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001714924487 1203202464 /nfs/dbraw/zinc/20/24/64/1203202464.db2.gz IPHVOMNAKFPALP-MOPGFXCFSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001714970498 1203221385 /nfs/dbraw/zinc/22/13/85/1203221385.db2.gz LPJFSUBSFWLJHH-KRWDZBQOSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCC1(C(=O)NCC2CN([C@H]3CCc4ccccc43)C2)CCC1 ZINC001714977801 1203223789 /nfs/dbraw/zinc/22/37/89/1203223789.db2.gz ZMYOOMSZFWDSCZ-IBGZPJMESA-N 0 3 324.468 3.468 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C)c1ccccc1 ZINC001714993124 1203228902 /nfs/dbraw/zinc/22/89/02/1203228902.db2.gz YJGMDBLOGAPSGH-FHWLQOOXSA-N 0 3 312.457 3.287 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2c1 ZINC001714992376 1203228912 /nfs/dbraw/zinc/22/89/12/1203228912.db2.gz REGDRMZFTKCMKK-IRXDYDNUSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001715012317 1203236694 /nfs/dbraw/zinc/23/66/94/1203236694.db2.gz HMECZJFSUSWJJO-GOSISDBHSA-N 0 3 300.446 3.248 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001715031391 1203245470 /nfs/dbraw/zinc/24/54/70/1203245470.db2.gz MKVLOYDOEDXUAI-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001715033046 1203245806 /nfs/dbraw/zinc/24/58/06/1203245806.db2.gz URKANFXGADAOTB-PKOBYXMFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCCCN1CC[C@@H](N(C)C(=O)c2cnc(C(C)C)s2)C1 ZINC001715033439 1203245849 /nfs/dbraw/zinc/24/58/49/1203245849.db2.gz WOTQJZGGHFZPEJ-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)CC2=CCCCC2)C1 ZINC001715039410 1203249091 /nfs/dbraw/zinc/24/90/91/1203249091.db2.gz OCHCYUKTMOFMGN-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1ccncc1Cl)C1CC1 ZINC001715104376 1203273777 /nfs/dbraw/zinc/27/37/77/1203273777.db2.gz GYLABRZSWNGTMH-KRWDZBQOSA-N 0 3 321.852 3.076 20 30 DGEDHN CC[C@H](F)CNCc1ccc(CNC(=O)C#CC(C)(C)C)cc1 ZINC001715197777 1203293902 /nfs/dbraw/zinc/29/39/02/1203293902.db2.gz ZDTDYBCBNPALBC-KRWDZBQOSA-N 0 3 318.436 3.190 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@](C)(CC)CCC)cc1 ZINC001715196255 1203294086 /nfs/dbraw/zinc/29/40/86/1203294086.db2.gz KXNLTOBTNFFIEH-IBGZPJMESA-N 0 3 300.446 3.242 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](C)C(C)C ZINC001715228723 1203300044 /nfs/dbraw/zinc/30/00/44/1203300044.db2.gz YQSCKXMUOQELKK-HUUCEWRRSA-N 0 3 300.874 3.392 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001715232862 1203300936 /nfs/dbraw/zinc/30/09/36/1203300936.db2.gz RCIVLMRMNYFWAM-ZDUSSCGKSA-N 0 3 324.415 3.409 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1c[nH]cc1C ZINC001715251658 1203303298 /nfs/dbraw/zinc/30/32/98/1203303298.db2.gz LPEXKBKYRJFRKC-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001715288320 1203307171 /nfs/dbraw/zinc/30/71/71/1203307171.db2.gz HRUHZWGHEOQQKK-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1 ZINC001715304148 1203310726 /nfs/dbraw/zinc/31/07/26/1203310726.db2.gz ULOSNTQSEPTOKR-ZNMIVQPWSA-N 0 3 310.869 3.194 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1sccc1Cl ZINC001715331790 1203317943 /nfs/dbraw/zinc/31/79/43/1203317943.db2.gz KRAYXOIVYCJBNW-LLVKDONJSA-N 0 3 300.855 3.304 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001715338933 1203318681 /nfs/dbraw/zinc/31/86/81/1203318681.db2.gz YYJOIGAGEVBYQY-ROUUACIJSA-N 0 3 314.473 3.301 20 30 DGEDHN CCC1(C(=O)N(C)[C@H](C)CNCc2ccc(C#N)s2)CCC1 ZINC001715352968 1203322312 /nfs/dbraw/zinc/32/23/12/1203322312.db2.gz HSIMSHHQPKRAHF-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cc(C)ns2)CCC1 ZINC001715361083 1203324698 /nfs/dbraw/zinc/32/46/98/1203324698.db2.gz OUODRXIKTGNTAT-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CCC(CC)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001715370387 1203327021 /nfs/dbraw/zinc/32/70/21/1203327021.db2.gz VIPKMXSFZHWDSA-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001715391901 1203332700 /nfs/dbraw/zinc/33/27/00/1203332700.db2.gz VTSJABGBWJQZEB-GUVYXZIWSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(OCC)c1)C(C)C ZINC001715504228 1203354285 /nfs/dbraw/zinc/35/42/85/1203354285.db2.gz NMTMKEOLCFZZFM-INIZCTEOSA-N 0 3 324.852 3.182 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc[nH]c1CCC)C(C)C ZINC001715504744 1203354701 /nfs/dbraw/zinc/35/47/01/1203354701.db2.gz GRPYITLUIRSZOY-OAHLLOKOSA-N 0 3 311.857 3.064 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1c(C)cccc1F)C(C)C ZINC001715511907 1203356727 /nfs/dbraw/zinc/35/67/27/1203356727.db2.gz QQDYXBKHYOHXQN-CQSZACIVSA-N 0 3 312.816 3.231 20 30 DGEDHN C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001715517828 1203358952 /nfs/dbraw/zinc/35/89/52/1203358952.db2.gz IZDFVTOSVWXSGV-OAHLLOKOSA-N 0 3 318.436 3.326 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001715526569 1203361212 /nfs/dbraw/zinc/36/12/12/1203361212.db2.gz WUMNLEFJPYFNLF-QZTJIDSGSA-N 0 3 318.436 3.286 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001715527375 1203361922 /nfs/dbraw/zinc/36/19/22/1203361922.db2.gz PPIDYIKASGSLJP-UHFFFAOYSA-N 0 3 308.853 3.239 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2nc(C)sc2c1 ZINC001715534908 1203365542 /nfs/dbraw/zinc/36/55/42/1203365542.db2.gz NPYWEWDXXBZLJL-UHFFFAOYSA-N 0 3 317.458 3.185 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1OCC1CC1 ZINC001715539604 1203367134 /nfs/dbraw/zinc/36/71/34/1203367134.db2.gz MSJNKLVYYPSINQ-UHFFFAOYSA-N 0 3 316.445 3.055 20 30 DGEDHN Cc1ccc(F)c(CN[C@@H](CNC(=O)C#CC(C)C)C(C)C)c1 ZINC001715544650 1203368663 /nfs/dbraw/zinc/36/86/63/1203368663.db2.gz BPRWNCJREGMOBT-SFHVURJKSA-N 0 3 318.436 3.024 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001715940085 1203407541 /nfs/dbraw/zinc/40/75/41/1203407541.db2.gz GSUJTLXDKIZPOV-IBGZPJMESA-N 0 3 302.462 3.488 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1cccc(Cl)c1F)NC(=O)C#CC1CC1 ZINC001715975057 1203414256 /nfs/dbraw/zinc/41/42/56/1203414256.db2.gz RFYTZIVNPGXUAI-RYUDHWBXSA-N 0 3 322.811 3.048 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)CCC1 ZINC001715988153 1203416599 /nfs/dbraw/zinc/41/65/99/1203416599.db2.gz BNYMGCRWOCZHGS-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001715994549 1203417759 /nfs/dbraw/zinc/41/77/59/1203417759.db2.gz CTVSGDAMEZBGQS-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716018477 1203424264 /nfs/dbraw/zinc/42/42/64/1203424264.db2.gz VGGAOSZFTIEKBL-HNNXBMFYSA-N 0 3 301.434 3.075 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001716018941 1203424461 /nfs/dbraw/zinc/42/44/61/1203424461.db2.gz BRNYOIPUWCJMRX-HUUCEWRRSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCCc1ccc(Cl)cc1 ZINC001716032918 1203429984 /nfs/dbraw/zinc/42/99/84/1203429984.db2.gz SKXNYKHKKDMFOQ-CQSZACIVSA-N 0 3 308.853 3.285 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001716044964 1203434370 /nfs/dbraw/zinc/43/43/70/1203434370.db2.gz OBDHHIMHPIBPGM-OAHLLOKOSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1cscn1 ZINC001716068607 1203438478 /nfs/dbraw/zinc/43/84/78/1203438478.db2.gz BSUWNHIMTGQHAH-ZFWWWQNUSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001716233350 1203451906 /nfs/dbraw/zinc/45/19/06/1203451906.db2.gz KATBFQLVXZBXGV-MKMNVTDBSA-N 0 3 317.458 3.080 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001716239116 1203452585 /nfs/dbraw/zinc/45/25/85/1203452585.db2.gz AWMHBWCAEZLLOV-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001716435583 1203473950 /nfs/dbraw/zinc/47/39/50/1203473950.db2.gz PCQUDEWPHWIJPN-HOTGVXAUSA-N 0 3 318.436 3.098 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001716451131 1203476392 /nfs/dbraw/zinc/47/63/92/1203476392.db2.gz YMWOAGHWFFIQAU-SJCJKPOMSA-N 0 3 322.399 3.403 20 30 DGEDHN CCc1cccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C)c1 ZINC001716477290 1203483761 /nfs/dbraw/zinc/48/37/61/1203483761.db2.gz FAIBBVIFOLWHHE-MRXNPFEDSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1CNCc1cc(C)no1 ZINC001716514602 1203498008 /nfs/dbraw/zinc/49/80/08/1203498008.db2.gz NNVUIWYWDGUWKE-WBVHZDCISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNCc1nccs1 ZINC001716513544 1203498069 /nfs/dbraw/zinc/49/80/69/1203498069.db2.gz DBEUEQPCEGGANR-GJZGRUSLSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001716622004 1203507866 /nfs/dbraw/zinc/50/78/66/1203507866.db2.gz YBNNNILURVXZCF-IUODEOHRSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001716670937 1203521643 /nfs/dbraw/zinc/52/16/43/1203521643.db2.gz JQPAOMUKUMKRAR-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](CC)CCC)C2)CC1 ZINC001716728134 1203533251 /nfs/dbraw/zinc/53/32/51/1203533251.db2.gz OSWKRQJMVRSHMY-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2nccs2)C[C@@H]1C ZINC001716762219 1203539569 /nfs/dbraw/zinc/53/95/69/1203539569.db2.gz VUBSFGJZQKYEEU-KBPBESRZSA-N 0 3 321.490 3.215 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001716773682 1203541040 /nfs/dbraw/zinc/54/10/40/1203541040.db2.gz NCZFXNRMHYLJTP-HNNXBMFYSA-N 0 3 306.837 3.387 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001716778453 1203541243 /nfs/dbraw/zinc/54/12/43/1203541243.db2.gz SXGSUTFDMUXPDH-INIZCTEOSA-N 0 3 304.409 3.263 20 30 DGEDHN C#CCN(C(=O)CCCC(C)C)C1CCN(CC(=C)C)CC1 ZINC001716808669 1203545642 /nfs/dbraw/zinc/54/56/42/1203545642.db2.gz CTPXXBFIKOPVRH-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001716830672 1203549542 /nfs/dbraw/zinc/54/95/42/1203549542.db2.gz VFOVRGSJIBZJHD-FUHWJXTLSA-N 0 3 310.457 3.405 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001716847307 1203554684 /nfs/dbraw/zinc/55/46/84/1203554684.db2.gz IJNUXEHXCVBADY-APWZRJJASA-N 0 3 322.493 3.271 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(CNCc2nccs2)C1 ZINC001716873522 1203559401 /nfs/dbraw/zinc/55/94/01/1203559401.db2.gz UJSUOSJAHIENBE-SJORKVTESA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CCC2CCCCC2)CC1 ZINC001716889212 1203562158 /nfs/dbraw/zinc/56/21/58/1203562158.db2.gz ANEJPSYNAKIJNP-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cc(C)c(CC)s2)CC1 ZINC001716889541 1203562203 /nfs/dbraw/zinc/56/22/03/1203562203.db2.gz NKADXUGTEMSCLM-UHFFFAOYSA-N 0 3 318.486 3.084 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CC(F)(F)F ZINC001717038848 1203580866 /nfs/dbraw/zinc/58/08/66/1203580866.db2.gz RBGHRWRVTXKOQG-HZSPNIEDSA-N 0 3 318.383 3.216 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cscc2C)cc1 ZINC001717115725 1203586683 /nfs/dbraw/zinc/58/66/83/1203586683.db2.gz NOZZKAVXJXCJRR-AWEZNQCLSA-N 0 3 312.438 3.270 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)CCCC)cc1 ZINC001717116568 1203587041 /nfs/dbraw/zinc/58/70/41/1203587041.db2.gz UODJQTCMAMSFAS-CVEARBPZSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](c2ccccc2)[C@H](C)CC)CCC1 ZINC001717161952 1203594198 /nfs/dbraw/zinc/59/41/98/1203594198.db2.gz FDZVZGCYRHJQDY-SJLPKXTDSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CC2(C)CCCCC2)CC1 ZINC001717196373 1203597540 /nfs/dbraw/zinc/59/75/40/1203597540.db2.gz CERQMCANAHTCDA-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)CCCC)C2 ZINC001717244998 1203608979 /nfs/dbraw/zinc/60/89/79/1203608979.db2.gz LPUBGKJLGXIGBB-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CC=C)CCCCC2)C[C@H]1C ZINC001717335366 1203620071 /nfs/dbraw/zinc/62/00/71/1203620071.db2.gz IMELQPGJEMZMTO-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001717344012 1203623056 /nfs/dbraw/zinc/62/30/56/1203623056.db2.gz GWFZELSNVXPLFZ-ZYSHUDEJSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCOC1CCC1 ZINC001717375264 1203629892 /nfs/dbraw/zinc/62/98/92/1203629892.db2.gz WERLJBVIUGBLLL-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(F)c2occc21 ZINC001717375784 1203630623 /nfs/dbraw/zinc/63/06/23/1203630623.db2.gz CNHNBUXBPJQZHI-CYBMUJFWSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001717391192 1203633820 /nfs/dbraw/zinc/63/38/20/1203633820.db2.gz GBBSYWCAZLKOIN-HSBZDZAISA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001717407947 1203638367 /nfs/dbraw/zinc/63/83/67/1203638367.db2.gz DOXYOFOLFFMQPJ-CHWSQXEVSA-N 0 3 310.388 3.304 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C12CCC(CC1)C2 ZINC001717414214 1203639328 /nfs/dbraw/zinc/63/93/28/1203639328.db2.gz CHZIWUHDNXBSAL-HQHMFNRPSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC001717538460 1203676417 /nfs/dbraw/zinc/67/64/17/1203676417.db2.gz JOVJAAZNYVLPDO-ZTVSIKPCSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717551047 1203680024 /nfs/dbraw/zinc/68/00/24/1203680024.db2.gz LFSKDTGQSYYEIE-GFCCVEGCSA-N 0 3 314.420 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccc(CC)cc2)C1 ZINC001717554760 1203680417 /nfs/dbraw/zinc/68/04/17/1203680417.db2.gz INRRJVAKPRAJRR-OAHLLOKOSA-N 0 3 314.473 3.398 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001717557604 1203681273 /nfs/dbraw/zinc/68/12/73/1203681273.db2.gz WZJKDNSAHDTFJQ-GJZGRUSLSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575535 1203683484 /nfs/dbraw/zinc/68/34/84/1203683484.db2.gz GJTIADOJWMHOKS-RHSMWYFYSA-N 0 3 316.445 3.187 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575535 1203683489 /nfs/dbraw/zinc/68/34/89/1203683489.db2.gz GJTIADOJWMHOKS-RHSMWYFYSA-N 0 3 316.445 3.187 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC(C)C)CCC2)C(C)(C)C1 ZINC001717582966 1203686035 /nfs/dbraw/zinc/68/60/35/1203686035.db2.gz TZMLIKNTQYVAAX-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001717655914 1203695273 /nfs/dbraw/zinc/69/52/73/1203695273.db2.gz RJTGOHYCCUIUGU-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](CCC)c1ccccc1 ZINC001717755115 1203711027 /nfs/dbraw/zinc/71/10/27/1203711027.db2.gz YNXMIZLUXHUGRY-SJLPKXTDSA-N 0 3 300.446 3.030 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001717810182 1203715049 /nfs/dbraw/zinc/71/50/49/1203715049.db2.gz UBKOOCVKCMWHOE-GOEBONIOSA-N 0 3 304.459 3.021 20 30 DGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001717843693 1203720326 /nfs/dbraw/zinc/72/03/26/1203720326.db2.gz YKTXVTPXGZHOQF-MJGOQNOKSA-N 0 3 313.445 3.051 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCCN(CCCF)[C@H]2C)CCCCC1 ZINC001717861919 1203724479 /nfs/dbraw/zinc/72/44/79/1203724479.db2.gz BUDMRLPAQOWHIV-IRXDYDNUSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001717895596 1203729396 /nfs/dbraw/zinc/72/93/96/1203729396.db2.gz PDKVSWVXORRBMY-MRXNPFEDSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001717903959 1203730328 /nfs/dbraw/zinc/73/03/28/1203730328.db2.gz CGMNBMJQUIKCMN-NVXWUHKLSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1cc(F)c(C)cc1F)C(C)C ZINC001717949174 1203733338 /nfs/dbraw/zinc/73/33/38/1203733338.db2.gz OPFKINTVWVZBSZ-UHFFFAOYSA-N 0 3 324.415 3.171 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001717984930 1203740271 /nfs/dbraw/zinc/74/02/71/1203740271.db2.gz RRWJISZEWLJBAT-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCCC)CC[C@H]1C(F)(F)F ZINC001717986559 1203740702 /nfs/dbraw/zinc/74/07/02/1203740702.db2.gz JXNWDEXEIUKHHL-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001752969107 1203944797 /nfs/dbraw/zinc/94/47/97/1203944797.db2.gz PSCSHIIXQPSHJA-HVDISPMTSA-N 0 3 317.260 3.126 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(CC)c(CCC)s1 ZINC001722913049 1203950476 /nfs/dbraw/zinc/95/04/76/1203950476.db2.gz AEJCRBINTQMVSL-ZDUSSCGKSA-N 0 3 308.491 3.499 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCNCc1cccc(F)c1Cl ZINC001723015338 1203956161 /nfs/dbraw/zinc/95/61/61/1203956161.db2.gz OWYNQGNNAZQKTE-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CCCc1cccc(C)c1 ZINC001723434126 1203971222 /nfs/dbraw/zinc/97/12/22/1203971222.db2.gz VSQFPJNOFFIIDF-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001723433843 1203971713 /nfs/dbraw/zinc/97/17/13/1203971713.db2.gz TVUCAVKZRKNLMR-NVXWUHKLSA-N 0 3 315.461 3.364 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cccc(C)c1Cl ZINC001723441577 1203972198 /nfs/dbraw/zinc/97/21/98/1203972198.db2.gz MRDLLPNJLMJTBT-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001723472185 1203976644 /nfs/dbraw/zinc/97/66/44/1203976644.db2.gz HGPAYSSTIPLVEF-DLBZAZTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001723472187 1203976977 /nfs/dbraw/zinc/97/69/77/1203976977.db2.gz HGPAYSSTIPLVEF-IAGOWNOFSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001723482643 1203977975 /nfs/dbraw/zinc/97/79/75/1203977975.db2.gz DMZWDNCFDDBHNX-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(C(F)F)cc2)CC1 ZINC001723500221 1203979624 /nfs/dbraw/zinc/97/96/24/1203979624.db2.gz LOYDCDHHCSKTTQ-UHFFFAOYSA-N 0 3 308.372 3.329 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@H](C)c2cccc(Cl)c2)CC1 ZINC001723509988 1203979816 /nfs/dbraw/zinc/97/98/16/1203979816.db2.gz XDTZNQLAEOZXKZ-CQSZACIVSA-N 0 3 318.848 3.443 20 30 DGEDHN CCCC(=O)N1CCC[C@H]1CNCC#Cc1cccc(Cl)c1 ZINC001723878252 1203997356 /nfs/dbraw/zinc/99/73/56/1203997356.db2.gz GEWVWYLDLKPJOH-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2ccccc2F)CC1 ZINC001724015628 1204001513 /nfs/dbraw/zinc/00/15/13/1204001513.db2.gz DBEKBQLVIPNNIF-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN(C(=O)CC1=CCCCC1)C1CCN(CC(=C)C)CC1 ZINC001724037116 1204002233 /nfs/dbraw/zinc/00/22/33/1204002233.db2.gz YBVOZFNIWXUBKW-UHFFFAOYSA-N 0 3 314.473 3.379 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cncc(C)c1)C1CCCC1 ZINC001724078548 1204003822 /nfs/dbraw/zinc/00/38/22/1204003822.db2.gz VKNMVGBYSUULLP-SFHVURJKSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)CC(C)C)C2 ZINC001724126506 1204006302 /nfs/dbraw/zinc/00/63/02/1204006302.db2.gz TXXGLNXLPSIITD-HXUWFJFHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001724174074 1204011352 /nfs/dbraw/zinc/01/13/52/1204011352.db2.gz NWQVZRLMVRVPAV-VQIMIIECSA-N 0 3 315.461 3.122 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001724191113 1204013477 /nfs/dbraw/zinc/01/34/77/1204013477.db2.gz SLYXUFRYIVGQHJ-FZKQIMNGSA-N 0 3 322.399 3.225 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001724321555 1204021352 /nfs/dbraw/zinc/02/13/52/1204021352.db2.gz JZLGKPFAZNEAED-SQGPQFPESA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001724333720 1204023093 /nfs/dbraw/zinc/02/30/93/1204023093.db2.gz PFHBODAOUAULJM-YJBOKZPZSA-N 0 3 318.486 3.093 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001724339482 1204023198 /nfs/dbraw/zinc/02/31/98/1204023198.db2.gz CEJOKXMFXOLFRV-SFHVURJKSA-N 0 3 319.449 3.124 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(C)CCCCC2)C1 ZINC001724334237 1204023299 /nfs/dbraw/zinc/02/32/99/1204023299.db2.gz UELGPOZPZMNVER-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(C)CCCCC2)C1 ZINC001724334239 1204023391 /nfs/dbraw/zinc/02/33/91/1204023391.db2.gz UELGPOZPZMNVER-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001724343868 1204024510 /nfs/dbraw/zinc/02/45/10/1204024510.db2.gz VOSOZBDXMHGYME-GOSISDBHSA-N 0 3 318.486 3.220 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccnc(C)c1 ZINC001724741196 1204041868 /nfs/dbraw/zinc/04/18/68/1204041868.db2.gz MXWJPDKBVLCBBQ-UHFFFAOYSA-N 0 3 323.440 3.328 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)C(C)C)cc1 ZINC001724747483 1204043184 /nfs/dbraw/zinc/04/31/84/1204043184.db2.gz XDNWYYTVBALUKU-HNNXBMFYSA-N 0 3 300.446 3.269 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@H](CCC)c3ccccc3)C2)CC1 ZINC001724759182 1204044292 /nfs/dbraw/zinc/04/42/92/1204044292.db2.gz KJCPNAGQVKCBNY-LJQANCHMSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001724793390 1204047792 /nfs/dbraw/zinc/04/77/92/1204047792.db2.gz JUXKWPWZVUHRDX-UHFFFAOYSA-N 0 3 304.409 3.311 20 30 DGEDHN CC#CCNC1(CNC(=O)C(CC(C)C)CC(C)C)CCC1 ZINC001724799793 1204049117 /nfs/dbraw/zinc/04/91/17/1204049117.db2.gz IARNJBPOHRSIJP-UHFFFAOYSA-N 0 3 306.494 3.347 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC ZINC001724893449 1204063423 /nfs/dbraw/zinc/06/34/23/1204063423.db2.gz AQJRWOABVWAXPS-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C\C ZINC001724891696 1204063438 /nfs/dbraw/zinc/06/34/38/1204063438.db2.gz BALPGWAPJWHIAU-MCBDIONPSA-N 0 3 312.457 3.462 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001724893020 1204063559 /nfs/dbraw/zinc/06/35/59/1204063559.db2.gz IVBZKBLMQKTADQ-GOSISDBHSA-N 0 3 300.446 3.294 20 30 DGEDHN CC(C)CCN1Cc2ccc(CNC(=O)C#CC3CC3)cc2C1 ZINC001724924423 1204066411 /nfs/dbraw/zinc/06/64/11/1204066411.db2.gz ZYJJWNSZGWQINZ-UHFFFAOYSA-N 0 3 310.441 3.078 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1nc(C)c(C)s1 ZINC001725006444 1204078471 /nfs/dbraw/zinc/07/84/71/1204078471.db2.gz GSSXYXWHSPZSBR-SJCJKPOMSA-N 0 3 323.506 3.347 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2cnoc2C)CCCC1 ZINC001725012049 1204079089 /nfs/dbraw/zinc/07/90/89/1204079089.db2.gz MKAQTXGPDVRBKG-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001725012962 1204079252 /nfs/dbraw/zinc/07/92/52/1204079252.db2.gz LPBAGBUFOVVZRN-LJQANCHMSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)C=C ZINC001725012156 1204079376 /nfs/dbraw/zinc/07/93/76/1204079376.db2.gz FZQFLLJNCVMSOL-SFHVURJKSA-N 0 3 312.457 3.490 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(CC)Cc2conc2C)CC1 ZINC001725024279 1204081003 /nfs/dbraw/zinc/08/10/03/1204081003.db2.gz QZALFMNWUNSKJI-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1C ZINC001725031337 1204081947 /nfs/dbraw/zinc/08/19/47/1204081947.db2.gz CSOXZYHEGHMYDX-WOJBJXKFSA-N 0 3 318.420 3.004 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(F)ccc1OC ZINC001725091858 1204092538 /nfs/dbraw/zinc/09/25/38/1204092538.db2.gz MYUXEJVBVYXWAX-KBPBESRZSA-N 0 3 322.424 3.173 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1(C)CCCC1 ZINC001725103473 1204095102 /nfs/dbraw/zinc/09/51/02/1204095102.db2.gz MVNHSCSQHHPWDA-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2ncccc2C)CCC1 ZINC001725106590 1204095918 /nfs/dbraw/zinc/09/59/18/1204095918.db2.gz JIBXNAXQPOYMNO-JKSUJKDBSA-N 0 3 315.461 3.119 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CCC1(C)CC1 ZINC001725115454 1204097610 /nfs/dbraw/zinc/09/76/10/1204097610.db2.gz FMEXCVDXHAENMC-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN C[C@@H](NC(=O)CCC1(C)CC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001725115457 1204097657 /nfs/dbraw/zinc/09/76/57/1204097657.db2.gz FMEXCVDXHAENMC-QWHCGFSZSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)[C@@H](C)CC ZINC001725145155 1204102718 /nfs/dbraw/zinc/10/27/18/1204102718.db2.gz AMNLLYQXBSXSLR-GXTWGEPZSA-N 0 3 302.890 3.495 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001725154322 1204104986 /nfs/dbraw/zinc/10/49/86/1204104986.db2.gz HQPBHZZOYZLIPP-SUMWQHHRSA-N 0 3 304.409 3.216 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001725154321 1204105143 /nfs/dbraw/zinc/10/51/43/1204105143.db2.gz HQPBHZZOYZLIPP-GUYCJALGSA-N 0 3 304.409 3.216 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001725161469 1204107712 /nfs/dbraw/zinc/10/77/12/1204107712.db2.gz OJOOSROCGIZAJC-CABCVRRESA-N 0 3 318.436 3.373 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001725164269 1204108220 /nfs/dbraw/zinc/10/82/20/1204108220.db2.gz FKFAECHFNKTNMY-HUUCEWRRSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001725190358 1204116416 /nfs/dbraw/zinc/11/64/16/1204116416.db2.gz MUKUZXJETZUFAA-BPQIPLTHSA-N 0 3 300.446 3.029 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CCCC)CNCc2cncs2)C1 ZINC001725231797 1204122965 /nfs/dbraw/zinc/12/29/65/1204122965.db2.gz NGZHSLBLVXCFOK-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001725270813 1204130714 /nfs/dbraw/zinc/13/07/14/1204130714.db2.gz ZRWHHZFZFCUNCG-HUUCEWRRSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001725270810 1204130774 /nfs/dbraw/zinc/13/07/74/1204130774.db2.gz ZRWHHZFZFCUNCG-CABCVRRESA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001725369842 1204141666 /nfs/dbraw/zinc/14/16/66/1204141666.db2.gz SMJCUEGBDXNBOE-CTYIDZIISA-N 0 3 318.848 3.026 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001725503167 1204160631 /nfs/dbraw/zinc/16/06/31/1204160631.db2.gz GKVNDEWPKFDJQH-GUYCJALGSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCc1ccc(C)c(Cl)c1 ZINC001725504141 1204160661 /nfs/dbraw/zinc/16/06/61/1204160661.db2.gz YSQHSDKIDOJXHM-HNNXBMFYSA-N 0 3 320.864 3.041 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001725507209 1204161508 /nfs/dbraw/zinc/16/15/08/1204161508.db2.gz WYPUSWPLMHPNHC-LBPRGKRZSA-N 0 3 309.479 3.053 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001725580816 1204171644 /nfs/dbraw/zinc/17/16/44/1204171644.db2.gz GACZTDVMXCENCD-HZPDHXFCSA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001725588776 1204173540 /nfs/dbraw/zinc/17/35/40/1204173540.db2.gz GZSJDBBGTYXOIE-QUCCMNQESA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)C3CCCCC3)CCC[C@H]12 ZINC001725611807 1204179371 /nfs/dbraw/zinc/17/93/71/1204179371.db2.gz PSSATRWTGGKQKA-XKGZKEIXSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNCc2nc(C)sc2C)C1 ZINC001725631109 1204186292 /nfs/dbraw/zinc/18/62/92/1204186292.db2.gz NIRROFGQPZYKLE-HUUCEWRRSA-N 0 3 321.490 3.101 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC(C2CC2)C2CC2)CC1 ZINC001725763838 1204215676 /nfs/dbraw/zinc/21/56/76/1204215676.db2.gz KIFVZQKSJWMFQH-OAHLLOKOSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@H]1CCC)C(C)C ZINC001725769429 1204217791 /nfs/dbraw/zinc/21/77/91/1204217791.db2.gz VUAMGHQKYQONQQ-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CC2(C=C)CCCCC2)CC1 ZINC001725774142 1204218935 /nfs/dbraw/zinc/21/89/35/1204218935.db2.gz DNAOVEONURMXND-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C(C)(C)c2ccc(C)cc2)CC1 ZINC001725825801 1204228678 /nfs/dbraw/zinc/22/86/78/1204228678.db2.gz CDGRMMRNLKAAMI-UHFFFAOYSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001753074461 1204306413 /nfs/dbraw/zinc/30/64/13/1204306413.db2.gz MGXGHKCETRAKSG-KRWDZBQOSA-N 0 3 306.425 3.189 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001731288297 1204363347 /nfs/dbraw/zinc/36/33/47/1204363347.db2.gz CWFCFQUASMNPMZ-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C=C\c1ccco1 ZINC001731288659 1204363510 /nfs/dbraw/zinc/36/35/10/1204363510.db2.gz GRPUTAGACMKPBP-PLDWVVQRSA-N 0 3 322.836 3.405 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C=C/c1ccc[nH]1 ZINC001731290620 1204363722 /nfs/dbraw/zinc/36/37/22/1204363722.db2.gz GNVGWTGTVYQBRD-RIEFBQKVSA-N 0 3 321.852 3.140 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001731295802 1204366020 /nfs/dbraw/zinc/36/60/20/1204366020.db2.gz XHEOIDCBDDWNAY-HUUCEWRRSA-N 0 3 323.868 3.059 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1)C1CC1 ZINC001731341316 1204378132 /nfs/dbraw/zinc/37/81/32/1204378132.db2.gz SOSKJGDWZNVJNI-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001731354459 1204384604 /nfs/dbraw/zinc/38/46/04/1204384604.db2.gz FRYVZMCAYOMYJO-HZPDHXFCSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC23CCN(C[C@@H](F)CC)CC3)CCC1 ZINC001731382442 1204389682 /nfs/dbraw/zinc/38/96/82/1204389682.db2.gz FBZORZCCITYYRW-HOTGVXAUSA-N 0 3 322.468 3.452 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccsn2)CC1 ZINC001731385451 1204391613 /nfs/dbraw/zinc/39/16/13/1204391613.db2.gz BITRNPYTBMRKDC-UHFFFAOYSA-N 0 3 307.463 3.036 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCCC2CCCC2)CC1 ZINC001731386461 1204391907 /nfs/dbraw/zinc/39/19/07/1204391907.db2.gz UYRAXIAPWOOJDW-SFHVURJKSA-N 0 3 316.489 3.341 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001731449844 1204416038 /nfs/dbraw/zinc/41/60/38/1204416038.db2.gz FYAHSGARMZYTFT-KKUMJFAQSA-N 0 3 321.490 3.099 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001731475047 1204425153 /nfs/dbraw/zinc/42/51/53/1204425153.db2.gz LDIQHLGZTJGVOS-OKILXGFUSA-N 0 3 322.811 3.019 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001731507853 1204437866 /nfs/dbraw/zinc/43/78/66/1204437866.db2.gz WNCDPUMTXOYVHK-PKOBYXMFSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(COC)CCCCC1 ZINC001731538145 1204449664 /nfs/dbraw/zinc/44/96/64/1204449664.db2.gz XCBLVHPRLHSQKJ-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1CCOC1CCC1 ZINC001731540396 1204450682 /nfs/dbraw/zinc/45/06/82/1204450682.db2.gz GLCPPGDZMRZLPY-APWZRJJASA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CC#CC ZINC001731549790 1204456464 /nfs/dbraw/zinc/45/64/64/1204456464.db2.gz BSBWUOYIXJMBOD-ZWKOTPCHSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnoc2C)C1 ZINC001731560447 1204462010 /nfs/dbraw/zinc/46/20/10/1204462010.db2.gz UNSFYPRJTANRMF-HOCLYGCPSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCCCC(C)C)C1 ZINC001731560341 1204462075 /nfs/dbraw/zinc/46/20/75/1204462075.db2.gz 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/nfs/dbraw/zinc/54/79/91/1204547991.db2.gz WCWNUECVRJSSAW-KRWDZBQOSA-N 0 3 304.409 3.217 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1cccc(OC)c1C ZINC001731808489 1204574846 /nfs/dbraw/zinc/57/48/46/1204574846.db2.gz IFVQWYTZDFMYTF-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001731812728 1204578554 /nfs/dbraw/zinc/57/85/54/1204578554.db2.gz KJNYETCRUDNAQX-CVEARBPZSA-N 0 3 315.461 3.179 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001731870421 1204613605 /nfs/dbraw/zinc/61/36/05/1204613605.db2.gz XNTYFDYRFUVHTD-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCc1cc(C)ccc1OC ZINC001731950534 1204634133 /nfs/dbraw/zinc/63/41/33/1204634133.db2.gz IVJWTMBKIQWAFF-LJQANCHMSA-N 0 3 318.461 3.154 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C=C1CCCCC1)c1ccccc1 ZINC001732020469 1204651768 /nfs/dbraw/zinc/65/17/68/1204651768.db2.gz ZVYYOIWHFFKQKL-IBGZPJMESA-N 0 3 310.441 3.347 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(Cc2cncs2)C1 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3.374 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001732173484 1204728177 /nfs/dbraw/zinc/72/81/77/1204728177.db2.gz PABQYHITRWQVSH-OALUTQOASA-N 0 3 314.473 3.364 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001732176328 1204731634 /nfs/dbraw/zinc/73/16/34/1204731634.db2.gz SOYVJBUBYLOYJY-IEBWSBKVSA-N 0 3 312.457 3.455 20 30 DGEDHN CC[C@@H](CNC(=O)C=C(C)C)NCC#Cc1ccccc1Cl ZINC001732193148 1204743237 /nfs/dbraw/zinc/74/32/37/1204743237.db2.gz VEWDBLFRYCEQIO-INIZCTEOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1scnc1C ZINC001732204522 1204748140 /nfs/dbraw/zinc/74/81/40/1204748140.db2.gz JEWUAPONUWBALP-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCC=C(Cl)Cl)C1 ZINC001732210020 1204750273 /nfs/dbraw/zinc/75/02/73/1204750273.db2.gz DRVYSOUROCLLOI-NSHDSACASA-N 0 3 305.249 3.146 20 30 DGEDHN CC(C)CC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001732221800 1204757269 /nfs/dbraw/zinc/75/72/69/1204757269.db2.gz VDBDXOAVSMNMAC-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 ZINC001732269732 1204777189 /nfs/dbraw/zinc/77/71/89/1204777189.db2.gz PAXGXOKIDQPXDR-GFCCVEGCSA-N 0 3 320.811 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001732271106 1204777297 /nfs/dbraw/zinc/77/72/97/1204777297.db2.gz HVEOKHBRJOCTCA-ZFWWWQNUSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001732274920 1204777850 /nfs/dbraw/zinc/77/78/50/1204777850.db2.gz WXZMRAZNEUNUOV-CHWSQXEVSA-N 0 3 320.811 3.003 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@@H](C)C(C)(C)C ZINC001732426146 1204834797 /nfs/dbraw/zinc/83/47/97/1204834797.db2.gz LMIOEQHOBQYIKE-QWHCGFSZSA-N 0 3 321.490 3.238 20 30 DGEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccco1 ZINC001732462460 1204855495 /nfs/dbraw/zinc/85/54/95/1204855495.db2.gz RKJKYRKNZGKDGQ-SFHVURJKSA-N 0 3 324.424 3.065 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](N[C@H](C)c1ccccc1F)C(C)C ZINC001732563162 1204898111 /nfs/dbraw/zinc/89/81/11/1204898111.db2.gz NWLMPFYBLNZRBZ-CRAIPNDOSA-N 0 3 318.436 3.277 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1coc(C(F)F)c1)C(C)C ZINC001732566121 1204899462 /nfs/dbraw/zinc/89/94/62/1204899462.db2.gz SRMGXLORNSIMCF-LLVKDONJSA-N 0 3 320.767 3.314 20 30 DGEDHN C[C@H](C#N)C(=O)N(C)CCN(C)Cc1ccc(C2CCC2)cc1 ZINC001732574867 1204902766 /nfs/dbraw/zinc/90/27/66/1204902766.db2.gz BZHFWMQEJKFHKV-OAHLLOKOSA-N 0 3 313.445 3.004 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001732600729 1204919214 /nfs/dbraw/zinc/91/92/14/1204919214.db2.gz VRPZAEAMROZYRB-UHFFFAOYSA-N 0 3 314.473 3.383 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001732725461 1204934424 /nfs/dbraw/zinc/93/44/24/1204934424.db2.gz FPNDAPKDJPNFPU-LRDDRELGSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1ccc(OC)c(F)c1 ZINC001732971116 1204969537 /nfs/dbraw/zinc/96/95/37/1204969537.db2.gz YBMZEPJXNAHYFB-FZKQIMNGSA-N 0 3 322.424 3.031 20 30 DGEDHN CC[C@H](NC[C@H](C)NC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001732995370 1204976875 /nfs/dbraw/zinc/97/68/75/1204976875.db2.gz YXDPGQHQOSEKHQ-GUYCJALGSA-N 0 3 322.399 3.170 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001733002472 1204978602 /nfs/dbraw/zinc/97/86/02/1204978602.db2.gz RIMYRCIUETYUPB-DLBZAZTESA-N 0 3 314.473 3.205 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001733017358 1204982824 /nfs/dbraw/zinc/98/28/24/1204982824.db2.gz LBXGZWWCNAQFJI-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001733026704 1204985644 /nfs/dbraw/zinc/98/56/44/1204985644.db2.gz KAZWTQTYBZSAED-XIDQGIEESA-N 0 3 306.837 3.193 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733031040 1204988352 /nfs/dbraw/zinc/98/83/52/1204988352.db2.gz QVLLGXOGHUONQF-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN Cc1cc(Cl)ccc1CN(C)C[C@H](C)NC(=O)C#CC(C)C ZINC001733037299 1204992725 /nfs/dbraw/zinc/99/27/25/1204992725.db2.gz 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/nfs/dbraw/zinc/05/64/47/1205056447.db2.gz WMRPIJMSKVOYEM-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001733237523 1205063789 /nfs/dbraw/zinc/06/37/89/1205063789.db2.gz NXHKGHYROLYWIS-WMZOPIPTSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H]1CCN1CCCC)c1ccccc1 ZINC001733237868 1205064523 /nfs/dbraw/zinc/06/45/23/1205064523.db2.gz PPIXZEUZNIMTKI-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2ccccc2C)CC1 ZINC001733361437 1205106377 /nfs/dbraw/zinc/10/63/77/1205106377.db2.gz XGTODRDHFJRBTM-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCN(C(=O)[C@H](C)C1CCC1)C1CCN(CC=C(C)C)CC1 ZINC001733369305 1205107821 /nfs/dbraw/zinc/10/78/21/1205107821.db2.gz PREFAVDKBKZARF-QGZVFWFLSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)c1sccc1CC)C1CCN(CC=C)CC1 ZINC001733375543 1205108517 /nfs/dbraw/zinc/10/85/17/1205108517.db2.gz NQMSKMCQUQLXFS-UHFFFAOYSA-N 0 3 316.470 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001733404903 1205120475 /nfs/dbraw/zinc/12/04/75/1205120475.db2.gz SIOQVSDAIJFWPB-PKOBYXMFSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001733404902 1205120969 /nfs/dbraw/zinc/12/09/69/1205120969.db2.gz SIOQVSDAIJFWPB-MJGOQNOKSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](C)CCCCCC)CC1 ZINC001733452488 1205137877 /nfs/dbraw/zinc/13/78/77/1205137877.db2.gz QRHFDQLDZZLJPG-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)o1)c1ccccc1CC ZINC001733513437 1205151276 /nfs/dbraw/zinc/15/12/76/1205151276.db2.gz LHPASGFQYGRVHD-SFHVURJKSA-N 0 3 324.424 3.234 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1CC ZINC001733570936 1205165573 /nfs/dbraw/zinc/16/55/73/1205165573.db2.gz GIEGAELUTHYAER-OALUTQOASA-N 0 3 312.457 3.064 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(CCC)CCC ZINC001733607589 1205173382 /nfs/dbraw/zinc/17/33/82/1205173382.db2.gz TUZAQIXCIHMTBZ-MSOLQXFVSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)CCC ZINC001733678129 1205181439 /nfs/dbraw/zinc/18/14/39/1205181439.db2.gz VJAVKMRWCPHJKJ-INIZCTEOSA-N 0 3 300.446 3.194 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C=C\c1ccco1 ZINC001733676852 1205181791 /nfs/dbraw/zinc/18/17/91/1205181791.db2.gz BGDXERUULQAYJN-QXMHVHEDSA-N 0 3 322.408 3.064 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001733680092 1205182574 /nfs/dbraw/zinc/18/25/74/1205182574.db2.gz KAVRALMESUAXNA-IAGOWNOFSA-N 0 3 312.457 3.194 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001733764983 1205202803 /nfs/dbraw/zinc/20/28/03/1205202803.db2.gz YUMWDPYWUVDFPD-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC001733780803 1205216294 /nfs/dbraw/zinc/21/62/94/1205216294.db2.gz RBSUWPQFALXHAX-IEBWSBKVSA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001733780805 1205216798 /nfs/dbraw/zinc/21/67/98/1205216798.db2.gz RBSUWPQFALXHAX-PKOBYXMFSA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001733922086 1205255378 /nfs/dbraw/zinc/25/53/78/1205255378.db2.gz FHVCESLLIACLEE-NCXUSEDFSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1(CC)CCCC1 ZINC001733939505 1205265977 /nfs/dbraw/zinc/26/59/77/1205265977.db2.gz YWJNAJKYOHXJPY-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001733942996 1205267477 /nfs/dbraw/zinc/26/74/77/1205267477.db2.gz FQRGRXDCRUEFBY-FGTMMUONSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)cc1OC ZINC001733962620 1205272744 /nfs/dbraw/zinc/27/27/44/1205272744.db2.gz HEGGDDYXIONNBG-OLZOCXBDSA-N 0 3 324.852 3.298 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)CCC1 ZINC001733990058 1205280694 /nfs/dbraw/zinc/28/06/94/1205280694.db2.gz BIVVLNZGGLDVTK-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001734107477 1205326575 /nfs/dbraw/zinc/32/65/75/1205326575.db2.gz XYJWOKQWVQWTQI-HOTGVXAUSA-N 0 3 304.434 3.238 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001734113082 1205327536 /nfs/dbraw/zinc/32/75/36/1205327536.db2.gz MSFGVTSZZFVAFS-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001734113083 1205327931 /nfs/dbraw/zinc/32/79/31/1205327931.db2.gz MSFGVTSZZFVAFS-MRXNPFEDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001734131561 1205331710 /nfs/dbraw/zinc/33/17/10/1205331710.db2.gz QYIHNSMJMUXRLW-INIZCTEOSA-N 0 3 312.457 3.039 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC001734140957 1205332745 /nfs/dbraw/zinc/33/27/45/1205332745.db2.gz CWRGFBSALYMDIR-ZDUSSCGKSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](CC)CC(F)F)C(C)(C)C1 ZINC001734146234 1205334764 /nfs/dbraw/zinc/33/47/64/1205334764.db2.gz PHBADRWLQNIIKV-STQMWFEESA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC001734153643 1205337937 /nfs/dbraw/zinc/33/79/37/1205337937.db2.gz JLBLVEFXZTVNRM-ZDUSSCGKSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\CC)C[C@H]2C1 ZINC001734184709 1205340189 /nfs/dbraw/zinc/34/01/89/1205340189.db2.gz AUFQCUDYRSAMCT-XNMBYWOSSA-N 0 3 310.869 3.312 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@](C)(F)CCCC)C[C@]2(C)C1 ZINC001734198818 1205342383 /nfs/dbraw/zinc/34/23/83/1205342383.db2.gz QERQFKLIBSLTAA-CEXWTWQISA-N 0 3 322.468 3.099 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001734220056 1205345400 /nfs/dbraw/zinc/34/54/00/1205345400.db2.gz MIMSBPUPQGJXQA-CTYIDZIISA-N 0 3 310.800 3.007 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001734249401 1205349210 /nfs/dbraw/zinc/34/92/10/1205349210.db2.gz FIAYMJIRSSGKAG-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNCc1ccc(F)cn1 ZINC001734248587 1205349501 /nfs/dbraw/zinc/34/95/01/1205349501.db2.gz SSGVZMCJKFKBOW-AWEZNQCLSA-N 0 3 321.440 3.198 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001734251544 1205349766 /nfs/dbraw/zinc/34/97/66/1205349766.db2.gz RWAUMEVKWCRWMZ-UONOGXRCSA-N 0 3 300.874 3.440 20 30 DGEDHN CC(C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001734315088 1205363017 /nfs/dbraw/zinc/36/30/17/1205363017.db2.gz SLJWZUJHOLIFSU-MRXNPFEDSA-N 0 3 318.436 3.050 20 30 DGEDHN CC/C=C(/C)C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001734409090 1205373555 /nfs/dbraw/zinc/37/35/55/1205373555.db2.gz BUOAEOZOVKNHIY-WWRZCIAWSA-N 0 3 317.458 3.055 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)CC(C)(C)C)CCC[C@H]12 ZINC001734441530 1205377757 /nfs/dbraw/zinc/37/77/57/1205377757.db2.gz PJFKXEOPVCFUCM-JTDSTZFVSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCOC)[C@@H]2C)CCCCC1 ZINC001734464232 1205382608 /nfs/dbraw/zinc/38/26/08/1205382608.db2.gz ZDNPKUGYOAUELC-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1c[nH]c2ccc(C)cc21)C(C)C ZINC001734552862 1205391998 /nfs/dbraw/zinc/39/19/98/1205391998.db2.gz GIUWAZRTCKUMGK-UHFFFAOYSA-N 0 3 313.445 3.445 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001734558282 1205394202 /nfs/dbraw/zinc/39/42/02/1205394202.db2.gz XKNWPNULFRRTSP-AEFFLSMTSA-N 0 3 314.473 3.205 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001734558286 1205394268 /nfs/dbraw/zinc/39/42/68/1205394268.db2.gz XKNWPNULFRRTSP-SJLPKXTDSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC001734590842 1205402345 /nfs/dbraw/zinc/40/23/45/1205402345.db2.gz BJVVCBJWFUOCFZ-UHFFFAOYSA-N 0 3 312.866 3.447 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccc(C)cc2)C1 ZINC001734599424 1205404003 /nfs/dbraw/zinc/40/40/03/1205404003.db2.gz UGHDNLOKCLXGSU-UHFFFAOYSA-N 0 3 320.864 3.259 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC3=CCCCC3)CC2)CC1 ZINC001734604192 1205404983 /nfs/dbraw/zinc/40/49/83/1205404983.db2.gz TWWCGSJMHAWHQM-UHFFFAOYSA-N 0 3 314.473 3.261 20 30 DGEDHN Cc1nc(N2CCN(C3CCCC3)CC2)c(C#N)c(C)c1Cl ZINC001165030264 721852734 /nfs/dbraw/zinc/85/27/34/721852734.db2.gz SWKUMODTWRRXCN-UHFFFAOYSA-N 0 3 318.852 3.288 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CN(CCC)CCC2(F)F)CCC1 ZINC001671967877 1197588455 /nfs/dbraw/zinc/58/84/55/1197588455.db2.gz DZEDPWUODLTRMR-AWEZNQCLSA-N 0 3 314.420 3.216 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@H]1CCC(F)(F)C1 ZINC001753007516 1202055849 /nfs/dbraw/zinc/05/58/49/1202055849.db2.gz REUDKLXILYKLIZ-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1sc(C)nc1C ZINC001725411916 1204146465 /nfs/dbraw/zinc/14/64/65/1204146465.db2.gz JENUDYPEKZCLJX-SNVBAGLBSA-N 0 3 315.870 3.001 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001267864778 1083474532 /nfs/dbraw/zinc/47/45/32/1083474532.db2.gz LANCXOJHVUHJEK-AWEZNQCLSA-N 0 3 316.829 3.128 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C)CCC(C)CC1 ZINC001268429706 1084591028 /nfs/dbraw/zinc/59/10/28/1084591028.db2.gz SWLVGZOWFMXZBI-CXOJTPOUSA-N 0 3 300.874 3.440 20 30 DGEDHN C#C[C@H](N[C@H](C)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000820347502 1091622692 /nfs/dbraw/zinc/62/26/92/1091622692.db2.gz LZOGNLYZAOZVIC-ZLDLUXBVSA-N 0 3 308.219 3.138 20 30 DGEDHN N#Cc1cc2ccccc2nc1N1CCCc2ccc(CN)nc21 ZINC001169583113 1081607144 /nfs/dbraw/zinc/60/71/44/1081607144.db2.gz DMNWYPMRKPACCF-UHFFFAOYSA-N 0 3 315.380 3.044 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1ncc(C)s1 ZINC001169705503 1081634161 /nfs/dbraw/zinc/63/41/61/1081634161.db2.gz KTEYMMAVUYHKIQ-ZDUSSCGKSA-N 0 3 309.479 3.182 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001169706494 1081635028 /nfs/dbraw/zinc/63/50/28/1081635028.db2.gz SGAVATADWSZNGE-INIZCTEOSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001266334999 1081676020 /nfs/dbraw/zinc/67/60/20/1081676020.db2.gz DIZSJOACLRUPOF-GOSISDBHSA-N 0 3 302.462 3.440 20 30 DGEDHN C=C(C)CN(CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC001169952898 1081683763 /nfs/dbraw/zinc/68/37/63/1081683763.db2.gz MCSPYPRVHDAPQH-ROUUACIJSA-N 0 3 302.462 3.174 20 30 DGEDHN CC(C)(C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1)C1CC1 ZINC001209135338 1081691197 /nfs/dbraw/zinc/69/11/97/1081691197.db2.gz XDDPDVPEBYNDIH-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001266368930 1081710144 /nfs/dbraw/zinc/71/01/44/1081710144.db2.gz OGJWNBSAZUNXNJ-KRWDZBQOSA-N 0 3 316.420 3.263 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001266379825 1081720981 /nfs/dbraw/zinc/72/09/81/1081720981.db2.gz NURQLCUYYZSUAZ-HKUYNNGSSA-N 0 3 324.468 3.174 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C)C2 ZINC001109002448 1081749518 /nfs/dbraw/zinc/74/95/18/1081749518.db2.gz LHYYYZYQFZUJNO-PMPSAXMXSA-N 0 3 319.449 3.289 20 30 DGEDHN Cc1ccccc1[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246254 1081790336 /nfs/dbraw/zinc/79/03/36/1081790336.db2.gz UCBQTWJWHPTRTN-HNJRGHQBSA-N 0 3 324.468 3.437 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[C@@H](C)CCC)C2 ZINC001109333055 1081800528 /nfs/dbraw/zinc/80/05/28/1081800528.db2.gz LRRXZWYRVAGTEC-MHORFTMASA-N 0 3 304.478 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[C@H](C)CCC)C2 ZINC001109333054 1081801212 /nfs/dbraw/zinc/80/12/12/1081801212.db2.gz LRRXZWYRVAGTEC-BDXSIMOUSA-N 0 3 304.478 3.338 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001109345070 1081810234 /nfs/dbraw/zinc/81/02/34/1081810234.db2.gz MMIAHQBXUZORQD-GHYVTOPFSA-N 0 3 316.848 3.235 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1CC)C2 ZINC001109376797 1081818013 /nfs/dbraw/zinc/81/80/13/1081818013.db2.gz ACMDUQNKIAKTJU-SNPRPXQTSA-N 0 3 319.474 3.007 20 30 DGEDHN CC(C)CCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001167238363 1081835364 /nfs/dbraw/zinc/83/53/64/1081835364.db2.gz BDAYANYMCFFKHY-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN CCC(=CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1)CC ZINC001279217371 1081866995 /nfs/dbraw/zinc/86/69/95/1081866995.db2.gz YDXJDELLOSOYOU-UHFFFAOYSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H](CN(C)CCF)C2)CCCC1 ZINC001266475825 1081878128 /nfs/dbraw/zinc/87/81/28/1081878128.db2.gz MWZFAEZWFAVFQN-MRXNPFEDSA-N 0 3 310.457 3.263 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001266485719 1081888174 /nfs/dbraw/zinc/88/81/74/1081888174.db2.gz IBODGIZQPBITSZ-LBPRGKRZSA-N 0 3 312.866 3.101 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109634369 1081888993 /nfs/dbraw/zinc/88/89/93/1081888993.db2.gz KUMYRVAFKMNRHO-MHORFTMASA-N 0 3 322.493 3.125 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)F)CCCC1)C2 ZINC001109640533 1081891071 /nfs/dbraw/zinc/89/10/71/1081891071.db2.gz LZKIDGZOQLPBCX-RDBSUJKOSA-N 0 3 312.404 3.110 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001109663063 1081896681 /nfs/dbraw/zinc/89/66/81/1081896681.db2.gz HZVODPDHBHSQJY-PVAVHDDUSA-N 0 3 317.433 3.065 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001266495248 1081896769 /nfs/dbraw/zinc/89/67/69/1081896769.db2.gz JTQLHXTVCLYQJU-BBRMVZONSA-N 0 3 306.837 3.210 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)C2 ZINC001109792423 1081916129 /nfs/dbraw/zinc/91/61/29/1081916129.db2.gz CPZFPODEROHGMF-NQYYFHDYSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)C2 ZINC001109805555 1081917982 /nfs/dbraw/zinc/91/79/82/1081917982.db2.gz CECLRNXIJYUOAK-LMCOJAPRSA-N 0 3 324.468 3.315 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)CCC(C)C)C(C)C ZINC001496524651 1081931823 /nfs/dbraw/zinc/93/18/23/1081931823.db2.gz XRYLYBDYXPRCFP-CYBMUJFWSA-N 0 3 319.287 3.062 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)Cc1ccccc1)C2 ZINC001109939564 1081936045 /nfs/dbraw/zinc/93/60/45/1081936045.db2.gz QJRPYRCSVSQFAW-QYZOEREBSA-N 0 3 324.468 3.000 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)c1ccccc1)C2 ZINC001109970234 1081940547 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C=C(C)CN(CCNC(=O)c1ccc(C(C)(C)C)cn1)C1CC1 ZINC001266592557 1082042900 /nfs/dbraw/zinc/04/29/00/1082042900.db2.gz SYQBMCISDSNNEA-UHFFFAOYSA-N 0 3 315.461 3.149 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1scc(C)c1Cl)C1CC1 ZINC001266593927 1082045551 /nfs/dbraw/zinc/04/55/51/1082045551.db2.gz BALDLHWWTOVNKI-UHFFFAOYSA-N 0 3 312.866 3.480 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC001113008288 1082082922 /nfs/dbraw/zinc/08/29/22/1082082922.db2.gz MFZFEWGIEIAMNE-SJORKVTESA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](CC)c1ccc(F)cc1)C1CC1 ZINC001266622019 1082088469 /nfs/dbraw/zinc/08/84/69/1082088469.db2.gz OSDLFUMAUYWMIA-KRWDZBQOSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CCC2)C1 ZINC001086579970 1082122019 /nfs/dbraw/zinc/12/20/19/1082122019.db2.gz HHAYSTKEXNIHGS-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCC(C)C)C1 ZINC001266662506 1082122624 /nfs/dbraw/zinc/12/26/24/1082122624.db2.gz GOKSOSTZOQMHOT-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001086582786 1082134979 /nfs/dbraw/zinc/13/49/79/1082134979.db2.gz HKWVWDKLDZJEAT-RCCFBDPRSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2nc(C)sc2c1 ZINC001170127603 1082138315 /nfs/dbraw/zinc/13/83/15/1082138315.db2.gz JBKOHQUPUYFVGE-UHFFFAOYSA-N 0 3 323.849 3.067 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC001113266378 1082160774 /nfs/dbraw/zinc/16/07/74/1082160774.db2.gz XZLRZIDOWLGZFM-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1 ZINC001266718737 1082167281 /nfs/dbraw/zinc/16/72/81/1082167281.db2.gz BXTXVVKBUZEEFT-XDQVBPFNSA-N 0 3 300.874 3.294 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1F)C2 ZINC001110090898 1082179493 /nfs/dbraw/zinc/17/94/93/1082179493.db2.gz XOHHNLUKSCQDPO-NJAFHUGGSA-N 0 3 316.420 3.056 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1C ZINC001104355387 1082188702 /nfs/dbraw/zinc/18/87/02/1082188702.db2.gz AISYOMIRIXVYFS-IUODEOHRSA-N 0 3 323.868 3.072 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113390855 1082193932 /nfs/dbraw/zinc/19/39/32/1082193932.db2.gz XDUAFFJBVRSPKR-IXDOHACOSA-N 0 3 304.478 3.169 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001266758389 1082195609 /nfs/dbraw/zinc/19/56/09/1082195609.db2.gz RZMHRZPEUJYNQI-CYBMUJFWSA-N 0 3 306.372 3.123 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C ZINC001104359533 1082206145 /nfs/dbraw/zinc/20/61/45/1082206145.db2.gz KZUGQGIHIPYIHT-RHSMWYFYSA-N 0 3 320.864 3.056 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cccc(C)c1 ZINC001266853301 1082267457 /nfs/dbraw/zinc/26/74/57/1082267457.db2.gz JQPLDMQKOICUMI-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001266863841 1082281091 /nfs/dbraw/zinc/28/10/91/1082281091.db2.gz 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C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(Cl)cs1 ZINC001267147528 1082564499 /nfs/dbraw/zinc/56/44/99/1082564499.db2.gz BBGZPUQCUMOFRK-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@@H](CC)CC(C)C ZINC001170510524 1082604536 /nfs/dbraw/zinc/60/45/36/1082604536.db2.gz JWUPVEFSNQQLKA-ZDUSSCGKSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@H](CC)CC(C)C ZINC001170510522 1082604647 /nfs/dbraw/zinc/60/46/47/1082604647.db2.gz JWUPVEFSNQQLKA-CYBMUJFWSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc3cc[nH]c3c2)C1 ZINC001267214551 1082647278 /nfs/dbraw/zinc/64/72/78/1082647278.db2.gz BYCLTPRAIOCSQS-UHFFFAOYSA-N 0 3 311.429 3.072 20 30 DGEDHN CCCC[C@@H](CC)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001131485449 1082681049 /nfs/dbraw/zinc/68/10/49/1082681049.db2.gz ZNFWLVQJHIFNRT-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131650426 1082698676 /nfs/dbraw/zinc/69/86/76/1082698676.db2.gz UNAUFHYEUHISAS-QFBILLFUSA-N 0 3 320.477 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C=C(C)CN1C[C@@H](NC(=O)CCCC2CCOCC2)CC[C@@H]1C ZINC001132082875 1082812635 /nfs/dbraw/zinc/81/26/35/1082812635.db2.gz KCGZDRUXMFWPAL-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(-c2cccs2)o1)C1CC1 ZINC001267337373 1082815167 /nfs/dbraw/zinc/81/51/67/1082815167.db2.gz SWYJMUCCCFLKTG-UHFFFAOYSA-N 0 3 316.426 3.388 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132114741 1082821605 /nfs/dbraw/zinc/82/16/05/1082821605.db2.gz HUVONKNKBLMVNT-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC(C)C)CCC2)CC[C@@H]1C ZINC001132169459 1082829570 /nfs/dbraw/zinc/82/95/70/1082829570.db2.gz OXHQICZPESAMPG-DLBZAZTESA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CCc1ccsc1)c1ccccc1 ZINC001267361704 1082833550 /nfs/dbraw/zinc/83/35/50/1082833550.db2.gz GIGNVKWFQQIPHY-KRWDZBQOSA-N 0 3 314.454 3.314 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@@H](C)c1ccncc1)c1ccccc1 ZINC001267362733 1082834257 /nfs/dbraw/zinc/83/42/57/1082834257.db2.gz 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ZINC001104515085 1082887281 /nfs/dbraw/zinc/88/72/81/1082887281.db2.gz UAWNNGHKVWUEHU-SXIRTYMMSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132384335 1082895159 /nfs/dbraw/zinc/89/51/59/1082895159.db2.gz LZNSGVYCEGQFSL-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCCCCCC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001132407897 1082902559 /nfs/dbraw/zinc/90/25/59/1082902559.db2.gz SNYVOAITEZXUDW-HNNXBMFYSA-N 0 3 304.409 3.176 20 30 DGEDHN C#CCCCCCC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001132407918 1082903112 /nfs/dbraw/zinc/90/31/12/1082903112.db2.gz UHRKBNRXYWYWHI-CQSZACIVSA-N 0 3 322.399 3.315 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(CC)cc2)CC[C@H]1C ZINC001132481515 1082922582 /nfs/dbraw/zinc/92/25/82/1082922582.db2.gz GTZLJLFEKJJEOU-APWZRJJASA-N 0 3 314.473 3.337 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001267481040 1082935365 /nfs/dbraw/zinc/93/53/65/1082935365.db2.gz DVMWGXWUAMSTAH-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN CCC(=O)NCCCN(CC#Cc1ccc(Cl)cc1)C(C)C ZINC001267495424 1082954198 /nfs/dbraw/zinc/95/41/98/1082954198.db2.gz SEOHHRZYKUIRBM-UHFFFAOYSA-N 0 3 320.864 3.318 20 30 DGEDHN CCCCC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001267497176 1082955929 /nfs/dbraw/zinc/95/59/29/1082955929.db2.gz ACISWJBVYGIWRM-UHFFFAOYSA-N 0 3 314.473 3.445 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132658406 1082969519 /nfs/dbraw/zinc/96/95/19/1082969519.db2.gz FDYHEDVYDGPOAB-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132658407 1082969737 /nfs/dbraw/zinc/96/97/37/1082969737.db2.gz FDYHEDVYDGPOAB-JKSUJKDBSA-N 0 3 316.445 3.046 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C#CC(C)C)c1ccc(C(C)C)cc1 ZINC001267512413 1082971858 /nfs/dbraw/zinc/97/18/58/1082971858.db2.gz JTGWXDADHOPIGG-FQEVSTJZSA-N 0 3 324.468 3.240 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001132652992 1082972820 /nfs/dbraw/zinc/97/28/20/1082972820.db2.gz BHBHFKXMMARIQL-SJKOYZFVSA-N 0 3 322.399 3.260 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc[nH]c1CC)c1ccccc1 ZINC001267518727 1082978326 /nfs/dbraw/zinc/97/83/26/1082978326.db2.gz AWNRPCVLDPNCLW-SFHVURJKSA-N 0 3 311.429 3.214 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(C2CCC2)CCC1)c1ccccc1 ZINC001267519485 1082979526 /nfs/dbraw/zinc/97/95/26/1082979526.db2.gz IGFDGIFIVIOVGF-LJQANCHMSA-N 0 3 324.468 3.427 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(CCC)CCC1)c1ccccc1 ZINC001267521453 1082980911 /nfs/dbraw/zinc/98/09/11/1082980911.db2.gz YVMJHIGRLLPBJG-SFHVURJKSA-N 0 3 312.457 3.427 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ncc(Cl)s1)c1ccccc1 ZINC001267521592 1082981179 /nfs/dbraw/zinc/98/11/79/1082981179.db2.gz UMHSJTFQHFDXBC-LBPRGKRZSA-N 0 3 321.833 3.043 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC001267523848 1082984710 /nfs/dbraw/zinc/98/47/10/1082984710.db2.gz XYFJVXDBQICJSE-MOPGFXCFSA-N 0 3 324.399 3.168 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C(C)(C)[C@H]21 ZINC001087314684 1082986380 /nfs/dbraw/zinc/98/63/80/1082986380.db2.gz PDDNIDMCIMFPSB-DZVNLGKHSA-N 0 3 316.489 3.051 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001267525180 1082987545 /nfs/dbraw/zinc/98/75/45/1082987545.db2.gz AYVULVCOHCDTQW-FQEVSTJZSA-N 0 3 318.420 3.061 20 30 DGEDHN CCCC(CCC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001133023541 1083031022 /nfs/dbraw/zinc/03/10/22/1083031022.db2.gz QEXLKPWAZZVPAR-UHFFFAOYSA-N 0 3 307.463 3.042 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001480994734 1083067588 /nfs/dbraw/zinc/06/75/88/1083067588.db2.gz SHUSHMBHDXVEES-UHFFFAOYSA-N 0 3 318.436 3.266 20 30 DGEDHN C=C1CCC(C(=O)NCCNCc2ccc(Cl)c(F)c2)CC1 ZINC001133368784 1083107330 /nfs/dbraw/zinc/10/73/30/1083107330.db2.gz HDHOWMKSBRQSKH-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(C)Cc2scnc2C)CC1 ZINC001267598031 1083130743 /nfs/dbraw/zinc/13/07/43/1083130743.db2.gz QIFXKQITRCPDJK-UHFFFAOYSA-N 0 3 321.490 3.088 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCCc1ccccc1 ZINC001481054879 1083138259 /nfs/dbraw/zinc/13/82/59/1083138259.db2.gz VEKRDQPAKHBLNH-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133540543 1083146391 /nfs/dbraw/zinc/14/63/91/1083146391.db2.gz NABYSWNTCVWJEC-KGLIPLIRSA-N 0 3 319.424 3.116 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001481072219 1083148044 /nfs/dbraw/zinc/14/80/44/1083148044.db2.gz SMBTXFJRDULSMQ-SJORKVTESA-N 0 3 300.446 3.255 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133586216 1083157135 /nfs/dbraw/zinc/15/71/35/1083157135.db2.gz MPPQZGLLIUNAQA-KBPBESRZSA-N 0 3 317.408 3.036 20 30 DGEDHN C[C@@H]1NC[C@@H]1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001218386742 1083161074 /nfs/dbraw/zinc/16/10/74/1083161074.db2.gz WMIGWXXRNBLTRY-IMJSIDKUSA-N 0 3 303.177 3.001 20 30 DGEDHN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1cccc(C#N)c1 ZINC001167710582 1083163453 /nfs/dbraw/zinc/16/34/53/1083163453.db2.gz PDYPRJKYNMMQGA-NSHDSACASA-N 0 3 308.341 3.243 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001481118953 1083195102 /nfs/dbraw/zinc/19/51/02/1083195102.db2.gz KPRYCKZRVFGXSI-ROUUACIJSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)sc1C ZINC001133884462 1083206202 /nfs/dbraw/zinc/20/62/02/1083206202.db2.gz PTQCOTLFPLXXLT-VXGBXAGGSA-N 0 3 309.479 3.099 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001086713469 1083207533 /nfs/dbraw/zinc/20/75/33/1083207533.db2.gz GXDPATBBKXIQQC-YNEHKIRRSA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CCN(C)CC1 ZINC001134044215 1083231152 /nfs/dbraw/zinc/23/11/52/1083231152.db2.gz UIPQCYGJUUTMJO-SJORKVTESA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCN(CCNC(=O)c1ccsc1C(F)F)C1CC1 ZINC001481195113 1083237449 /nfs/dbraw/zinc/23/74/49/1083237449.db2.gz HHYMKNVNYRWALM-UHFFFAOYSA-N 0 3 300.374 3.066 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001267705686 1083273917 /nfs/dbraw/zinc/27/39/17/1083273917.db2.gz JMOHCMWUWNDWMH-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(C)Cc2cc(C)ns2)CC1 ZINC001267718434 1083281501 /nfs/dbraw/zinc/28/15/01/1083281501.db2.gz KHGYPYQLJONEDE-UHFFFAOYSA-N 0 3 321.490 3.088 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001134410226 1083284924 /nfs/dbraw/zinc/28/49/24/1083284924.db2.gz JVKMYPGFTDJCJT-UHFFFAOYSA-N 0 3 300.855 3.210 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001134411714 1083285285 /nfs/dbraw/zinc/28/52/85/1083285285.db2.gz CPLPPGCSZBSWDD-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134418702 1083287339 /nfs/dbraw/zinc/28/73/39/1083287339.db2.gz OBOWLCZFPSIUAA-UONOGXRCSA-N 0 3 319.449 3.124 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001267731078 1083289550 /nfs/dbraw/zinc/28/95/50/1083289550.db2.gz MTEMLZFRXXTNQG-ROUUACIJSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1conc1CC ZINC001134454014 1083295388 /nfs/dbraw/zinc/29/53/88/1083295388.db2.gz PKAALOMMUTYFPP-ZIAGYGMSSA-N 0 3 321.465 3.212 20 30 DGEDHN C[C@@H](CC1CCCC1)C(=O)NCCNCc1ccc(C#N)s1 ZINC001134683884 1083319256 /nfs/dbraw/zinc/31/92/56/1083319256.db2.gz YIJFKLTWWYLPRK-ZDUSSCGKSA-N 0 3 319.474 3.042 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001267763289 1083327836 /nfs/dbraw/zinc/32/78/36/1083327836.db2.gz KZCUVFBSXDGRER-LJQANCHMSA-N 0 3 312.457 3.085 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001267778678 1083341062 /nfs/dbraw/zinc/34/10/62/1083341062.db2.gz FPIJGGKNLKTXFH-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCc2ccc(F)cc2)C1 ZINC001267791434 1083349726 /nfs/dbraw/zinc/34/97/26/1083349726.db2.gz UUQBTUKDKBZIRK-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN CC[C@H](C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1Cl ZINC001267795635 1083352834 /nfs/dbraw/zinc/35/28/34/1083352834.db2.gz FWAXDJUKIYNYTL-HOCLYGCPSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001267798173 1083353437 /nfs/dbraw/zinc/35/34/37/1083353437.db2.gz BOAJXNLSGIJHCY-BBRMVZONSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1C ZINC001105071255 1083422799 /nfs/dbraw/zinc/42/27/99/1083422799.db2.gz PLWKIAUBRWOGRL-WOSRLPQWSA-N 0 3 312.885 3.249 20 30 DGEDHN CCC[C@@H](C)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181500800 1083480060 /nfs/dbraw/zinc/48/00/60/1083480060.db2.gz GCBYTKMJWLOWOA-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2ccccn2)CCCC[C@@H]1C ZINC001267867496 1083486261 /nfs/dbraw/zinc/48/62/61/1083486261.db2.gz GMHQLODANPSCME-QFBILLFUSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001181517092 1083492510 /nfs/dbraw/zinc/49/25/10/1083492510.db2.gz IDWOEOIBOOFMHT-CQSZACIVSA-N 0 3 306.837 3.305 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC001267925876 1083579431 /nfs/dbraw/zinc/57/94/31/1083579431.db2.gz URSOROWWZKKZCO-WKILWMFISA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC001267927758 1083582546 /nfs/dbraw/zinc/58/25/46/1083582546.db2.gz NAAQSNWIEPJKTN-WKILWMFISA-N 0 3 319.449 3.102 20 30 DGEDHN O=C(C#CC1CC1)NCc1ccc(CNCc2ccsc2)cc1 ZINC001267936184 1083600367 /nfs/dbraw/zinc/60/03/67/1083600367.db2.gz KBCVNVZAHYHCGJ-UHFFFAOYSA-N 0 3 324.449 3.068 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001267937795 1083601669 /nfs/dbraw/zinc/60/16/69/1083601669.db2.gz XCXNOBDUQWZDEE-ZIAGYGMSSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C(C)CCC(=O)NCCC1CCN(Cc2ccccn2)CC1 ZINC001267943426 1083611847 /nfs/dbraw/zinc/61/18/47/1083611847.db2.gz MTPSKOIYZQWDHO-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203263946 1083634927 /nfs/dbraw/zinc/63/49/27/1083634927.db2.gz FYZPORJNMGTUHZ-SYGOVTOWSA-N 0 3 308.853 3.278 20 30 DGEDHN CCCCN(CC)[C@H](C(=O)N(C)[C@H](C)C#N)c1ccccc1 ZINC001182236250 1083650964 /nfs/dbraw/zinc/65/09/64/1083650964.db2.gz WPNWTHOMGOPHRQ-WBVHZDCISA-N 0 3 301.434 3.220 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1ccc(F)c(F)c1 ZINC001267964569 1083661678 /nfs/dbraw/zinc/66/16/78/1083661678.db2.gz YXFQJQIBSIFRCV-OAHLLOKOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl)C1 ZINC001268001802 1083724199 /nfs/dbraw/zinc/72/41/99/1083724199.db2.gz KHWWFNONGLAFON-DREKTBMASA-N 0 3 305.249 3.004 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)C1CC=CC1 ZINC001481347928 1083797926 /nfs/dbraw/zinc/79/79/26/1083797926.db2.gz YNLFXOKQUQWOHD-UHFFFAOYSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)OC)c1ccc(C(C)C)cc1 ZINC001481357411 1083814654 /nfs/dbraw/zinc/81/46/54/1083814654.db2.gz CJZPGVYUMXEDHG-CRAIPNDOSA-N 0 3 318.461 3.168 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc(F)c1F)c1ccccc1 ZINC001481369208 1083829412 /nfs/dbraw/zinc/82/94/12/1083829412.db2.gz NDQGEFWXXSZAMO-MRXNPFEDSA-N 0 3 316.351 3.212 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C(C)(C)C(F)F)c1ccccc1 ZINC001481370344 1083831345 /nfs/dbraw/zinc/83/13/45/1083831345.db2.gz BLQSPQVGFCIBOX-AWEZNQCLSA-N 0 3 310.388 3.301 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1c1ccccc1 ZINC001211670664 1083842100 /nfs/dbraw/zinc/84/21/00/1083842100.db2.gz BPNSMFLDLRDSCX-YSTOQKLRSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccoc2)C1 ZINC001087421761 1083843994 /nfs/dbraw/zinc/84/39/94/1083843994.db2.gz VTYWKYGKEPGERU-RTBURBONSA-N 0 3 324.424 3.444 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C2(CCC)CC2)C[C@H]1c1ccccc1 ZINC001211673638 1083872327 /nfs/dbraw/zinc/87/23/27/1083872327.db2.gz TUGQRPZISRDDFQ-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(F)s2)C1 ZINC001481411338 1083884332 /nfs/dbraw/zinc/88/43/32/1083884332.db2.gz CHHDJXJHAUCKMS-CYBMUJFWSA-N 0 3 310.438 3.390 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1c1ccccc1 ZINC001211680097 1083924611 /nfs/dbraw/zinc/92/46/11/1083924611.db2.gz GUIQKFXTLHYFLJ-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001087424994 1083973313 /nfs/dbraw/zinc/97/33/13/1083973313.db2.gz AFUHNCZYYOLWBM-CEXWTWQISA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)n2cccc2)CC1 ZINC001167793902 1083977012 /nfs/dbraw/zinc/97/70/12/1083977012.db2.gz HUMYDDUOFKZLAI-OAHLLOKOSA-N 0 3 323.868 3.068 20 30 DGEDHN C/C=C(/C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001268055748 1084050987 /nfs/dbraw/zinc/05/09/87/1084050987.db2.gz CGTIWVSNPBEEGG-AGKVCYSUSA-N 0 3 318.848 3.094 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001268056083 1084052487 /nfs/dbraw/zinc/05/24/87/1084052487.db2.gz ZUIVXIMYKAIOFY-YVEFUNNKSA-N 0 3 322.399 3.355 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C1CCC=CCC1 ZINC001268099971 1084168007 /nfs/dbraw/zinc/16/80/07/1084168007.db2.gz JNHPWKFFFSSOGX-SFHVURJKSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2nccs2)[C@H](C)C1 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C#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)CCCCC)C2)C1 ZINC001269745220 1085551051 /nfs/dbraw/zinc/55/10/51/1085551051.db2.gz NDTXNRIPJKDVFZ-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)(C)CCCCC)C2)C1 ZINC001269745219 1085551160 /nfs/dbraw/zinc/55/11/60/1085551160.db2.gz NDTXNRIPJKDVFZ-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC001270010974 1085652210 /nfs/dbraw/zinc/65/22/10/1085652210.db2.gz PEYCDSZZGRRASJ-JYJNAYRXSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001270010947 1085652233 /nfs/dbraw/zinc/65/22/33/1085652233.db2.gz OJQXWUVTOHBHHQ-RBSFLKMASA-N 0 3 321.490 3.262 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1 ZINC001270065335 1085676885 /nfs/dbraw/zinc/67/68/85/1085676885.db2.gz LPZPRXXJXRKELF-KRWDZBQOSA-N 0 3 310.441 3.162 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1 ZINC001270065337 1085676991 /nfs/dbraw/zinc/67/69/91/1085676991.db2.gz LPZPRXXJXRKELF-QGZVFWFLSA-N 0 3 310.441 3.162 20 30 DGEDHN C[C@@H](C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)C1CCC1 ZINC001270077648 1085679333 /nfs/dbraw/zinc/67/93/33/1085679333.db2.gz SSUHOPYUMALVGG-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN(C(=O)C1CC1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001270279379 1085758840 /nfs/dbraw/zinc/75/88/40/1085758840.db2.gz JSRIWBBEYBPYFM-RMKNXTFCSA-N 0 3 322.452 3.036 20 30 DGEDHN C#CCN(C(=O)C1CC1)C1CCN(Cc2cccc(CC)c2)CC1 ZINC001270279563 1085759240 /nfs/dbraw/zinc/75/92/40/1085759240.db2.gz PSDPKVBFGYGFKR-UHFFFAOYSA-N 0 3 324.468 3.085 20 30 DGEDHN C#CCN(C(=O)C1CC=CC1)C1CCN(Cc2ccccc2)CC1 ZINC001270301658 1085765171 /nfs/dbraw/zinc/76/51/71/1085765171.db2.gz ICZNNIYZMTYRPN-UHFFFAOYSA-N 0 3 322.452 3.079 20 30 DGEDHN C#CCN(C(=O)CC[C@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001270351832 1085781925 /nfs/dbraw/zinc/78/19/25/1085781925.db2.gz WAYJISQJQWQGLK-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cc(C)ns1)C1CCCC1 ZINC001270387320 1085796090 /nfs/dbraw/zinc/79/60/90/1085796090.db2.gz JWHVKIZSERMLNM-MRXNPFEDSA-N 0 3 321.490 3.182 20 30 DGEDHN CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001270502390 1085834734 /nfs/dbraw/zinc/83/47/34/1085834734.db2.gz VKPPPQROEPJLNV-LUKYLMHMSA-N 0 3 305.466 3.038 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001270607889 1085880926 /nfs/dbraw/zinc/88/09/26/1085880926.db2.gz SNTVQJJOOGICLX-SFHVURJKSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001114940081 1085944329 /nfs/dbraw/zinc/94/43/29/1085944329.db2.gz VMSRRPZNNYZGCZ-INDMIFKZSA-N 0 3 312.457 3.049 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112156919 1086107193 /nfs/dbraw/zinc/10/71/93/1086107193.db2.gz IHJXSOFAEBGQOV-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001482442655 1086185307 /nfs/dbraw/zinc/18/53/07/1086185307.db2.gz TXQREKBETJWORV-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001270947929 1086209820 /nfs/dbraw/zinc/20/98/20/1086209820.db2.gz MXPVUOXNBXORKL-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC(C)(C)C2CC2)C1 ZINC001270957983 1086217088 /nfs/dbraw/zinc/21/70/88/1086217088.db2.gz DXMHNSZSGKTNNZ-LJQANCHMSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001270959592 1086218876 /nfs/dbraw/zinc/21/88/76/1086218876.db2.gz YFKZZWALKNCOAE-FCEWJHQRSA-N 0 3 306.494 3.463 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(OC)cc2C)C1 ZINC001270991236 1086236558 /nfs/dbraw/zinc/23/65/58/1086236558.db2.gz MEDAEYBNHAENML-IBGZPJMESA-N 0 3 316.445 3.022 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)[C@H]1CC ZINC001087569527 1086308449 /nfs/dbraw/zinc/30/84/49/1086308449.db2.gz ACGOORDIAYQWQL-LVQVYYBASA-N 0 3 318.486 3.315 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2Cl)[C@H]1CC ZINC001087582212 1086313417 /nfs/dbraw/zinc/31/34/17/1086313417.db2.gz YMAHBWCHYBERKC-QWHCGFSZSA-N 0 3 310.850 3.008 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1CC ZINC001087681277 1086361758 /nfs/dbraw/zinc/36/17/58/1086361758.db2.gz OQYGXLXNJAZQQA-FUHWJXTLSA-N 0 3 311.429 3.245 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(CC)CC)n2)[C@H]1CC ZINC001087750163 1086396497 /nfs/dbraw/zinc/39/64/97/1086396497.db2.gz WEMRGPOWODESAC-DOTOQJQBSA-N 0 3 318.465 3.013 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087756769 1086399383 /nfs/dbraw/zinc/39/93/83/1086399383.db2.gz JTNSVUFZFOAZKX-RMJJICAUSA-N 0 3 312.457 3.335 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001482468599 1086414698 /nfs/dbraw/zinc/41/46/98/1086414698.db2.gz LLUSFZOKOYNMMB-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1CC ZINC001087819309 1086427173 /nfs/dbraw/zinc/42/71/73/1086427173.db2.gz PYYPLIVICZJANP-JKSUJKDBSA-N 0 3 310.397 3.039 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H]1CC ZINC001087820130 1086427825 /nfs/dbraw/zinc/42/78/25/1086427825.db2.gz MDQNXJDMBIOHQU-JKSUJKDBSA-N 0 3 306.837 3.038 20 30 DGEDHN CC(C)CC(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001271248350 1086556102 /nfs/dbraw/zinc/55/61/02/1086556102.db2.gz XQIFMFXWDLROGB-AWEZNQCLSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)CC3CCCCC3)C[C@@H]2C1 ZINC001088127166 1086616761 /nfs/dbraw/zinc/61/67/61/1086616761.db2.gz PNAYVFXTQFCSHV-QRQLOZEOSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112180785 1086652246 /nfs/dbraw/zinc/65/22/46/1086652246.db2.gz OPTVQGOOWXJUSX-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc([C@@H](C)CC)cc3)C[C@@H]2C1 ZINC001088213313 1086655345 /nfs/dbraw/zinc/65/53/45/1086655345.db2.gz WDLNLRYPCCQBID-DBVUQKKJSA-N 0 3 324.468 3.227 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001088216150 1086657648 /nfs/dbraw/zinc/65/76/48/1086657648.db2.gz SIKHNPWMKXSOAX-KURKYZTESA-N 0 3 316.489 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)NCc2cscn2)C1 ZINC001271492283 1086668636 /nfs/dbraw/zinc/66/86/36/1086668636.db2.gz YMZCVBXMDOUBRQ-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC001271625416 1086692468 /nfs/dbraw/zinc/69/24/68/1086692468.db2.gz HHDSZQMZEWBWSL-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001088259799 1086729076 /nfs/dbraw/zinc/72/90/76/1086729076.db2.gz PTNWIDKBVWCZKH-CVEARBPZSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CC(F)(F)C2)C1 ZINC001088292927 1086770665 /nfs/dbraw/zinc/77/06/65/1086770665.db2.gz JPRIMYVGXXMEIB-CYBMUJFWSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc(C)co2)C1 ZINC001088365418 1086866366 /nfs/dbraw/zinc/86/63/66/1086866366.db2.gz KFECZOQNSMJBJQ-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc2c(c1)CCC2 ZINC001271977533 1086895557 /nfs/dbraw/zinc/89/55/57/1086895557.db2.gz PQVGIRQXHLTIJB-UHFFFAOYSA-N 0 3 300.446 3.032 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CC1CC(c2ccccc2)C1 ZINC001272054743 1087034387 /nfs/dbraw/zinc/03/43/87/1087034387.db2.gz CBYXPCZLSYOULH-UHFFFAOYSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1coc2cc(C)c(C)cc21 ZINC001482615978 1087080407 /nfs/dbraw/zinc/08/04/07/1087080407.db2.gz ISVXUPAASRSUEO-UHFFFAOYSA-N 0 3 300.402 3.239 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCO[C@H]1CCCC[C@H]1C ZINC001272080387 1087083237 /nfs/dbraw/zinc/08/32/37/1087083237.db2.gz MJTZGRHFSOHCCM-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CCC(C)(C)c1ccccc1 ZINC001482654245 1087102719 /nfs/dbraw/zinc/10/27/19/1087102719.db2.gz CBZSSGQBCGLKHL-UHFFFAOYSA-N 0 3 302.462 3.321 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC001482685884 1087148781 /nfs/dbraw/zinc/14/87/81/1087148781.db2.gz QMTZQPDIRWETPQ-UONOGXRCSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCN[C@@H](C)c1c(F)cccc1F ZINC001482817029 1087166124 /nfs/dbraw/zinc/16/61/24/1087166124.db2.gz PBHLQBPVUHEXFO-OLZOCXBDSA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001482902091 1087184403 /nfs/dbraw/zinc/18/44/03/1087184403.db2.gz BSNSYUINYPUYAP-NVPAJSRCSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1cccc(F)c1 ZINC001482948342 1087200054 /nfs/dbraw/zinc/20/00/54/1087200054.db2.gz SWZMLTNTTAJLAH-GOSISDBHSA-N 0 3 306.425 3.366 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001272132135 1087217152 /nfs/dbraw/zinc/21/71/52/1087217152.db2.gz WAFFFKRVNQRBOA-DLBZAZTESA-N 0 3 320.864 3.410 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Cl)c2occc21 ZINC001272151865 1087221092 /nfs/dbraw/zinc/22/10/92/1087221092.db2.gz GJBNFWRUBSEOGS-UHFFFAOYSA-N 0 3 318.804 3.113 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc3ccccc3cc2C)[C@H]1C ZINC001088757303 1087338560 /nfs/dbraw/zinc/33/85/60/1087338560.db2.gz RUPYBPCIUVQLBG-WBVHZDCISA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1nc(C)sc1C ZINC001272242530 1087391055 /nfs/dbraw/zinc/39/10/55/1087391055.db2.gz DPYNOLNTOHZZPZ-CABCVRRESA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(CC)CC)C[C@H](C)O2 ZINC001098660702 1087393243 /nfs/dbraw/zinc/39/32/43/1087393243.db2.gz WWLJSFJFRRYXEB-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483182959 1087411845 /nfs/dbraw/zinc/41/18/45/1087411845.db2.gz SRDQDSRWKWEAKC-KGLIPLIRSA-N 0 3 321.490 3.286 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001483499983 1087516465 /nfs/dbraw/zinc/51/64/65/1087516465.db2.gz GNNYNXWOGKHBDH-CVEARBPZSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C[C@@H](C(=O)N(C)CCCNCC(=C)Cl)c1ccccc1 ZINC001483512416 1087519461 /nfs/dbraw/zinc/51/94/61/1087519461.db2.gz YTFAHTNGXKBSTP-MRXNPFEDSA-N 0 3 306.837 3.147 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001483642753 1087597847 /nfs/dbraw/zinc/59/78/47/1087597847.db2.gz NQLQCSPENDAENJ-MSOLQXFVSA-N 0 3 312.457 3.440 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1C ZINC001088885533 1087597952 /nfs/dbraw/zinc/59/79/52/1087597952.db2.gz CEYMRCFRANMZFS-CJNGLKHVSA-N 0 3 316.445 3.101 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C(CC)CC)n2)[C@H]1C ZINC001088899470 1087600665 /nfs/dbraw/zinc/60/06/65/1087600665.db2.gz HZLSUOBRWAUCDF-ZBFHGGJFSA-N 0 3 318.465 3.013 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)[C@H]1C ZINC001088923837 1087605048 /nfs/dbraw/zinc/60/50/48/1087605048.db2.gz WAJZXBMEXVMRHN-DOMZBBRYSA-N 0 3 308.372 3.393 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001483659752 1087610720 /nfs/dbraw/zinc/61/07/20/1087610720.db2.gz UDSZLXKKGKONPK-OVKVCFKUSA-N 0 3 312.457 3.332 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001483664060 1087612236 /nfs/dbraw/zinc/61/22/36/1087612236.db2.gz LMWGGCWJFSWYLM-KRWDZBQOSA-N 0 3 315.461 3.249 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cc3ccccc3o2)[C@H]1C ZINC001088968602 1087612449 /nfs/dbraw/zinc/61/24/49/1087612449.db2.gz FHQFFAXWAYLWNQ-INMHGKMJSA-N 0 3 324.424 3.139 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@H]1C ZINC001088976481 1087613709 /nfs/dbraw/zinc/61/37/09/1087613709.db2.gz ARRXFRHQYGHIFD-WBVHZDCISA-N 0 3 311.429 3.016 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(F)cccc2Cl)[C@H]1C ZINC001089001290 1087619901 /nfs/dbraw/zinc/61/99/01/1087619901.db2.gz ZZFLNZOZMLFPHR-WBMJQRKESA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2sc(C(C)C)nc2C)[C@H]1C ZINC001089035900 1087626082 /nfs/dbraw/zinc/62/60/82/1087626082.db2.gz BIZCTEWNMUZGBB-KGLIPLIRSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)[C@H]1C ZINC001089050496 1087627851 /nfs/dbraw/zinc/62/78/51/1087627851.db2.gz HNGBXKCGIRFORD-ZENOOKHLSA-N 0 3 306.837 3.209 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2CC(c3ccc(F)cc3)C2)[C@H]1C ZINC001089078102 1087632314 /nfs/dbraw/zinc/63/23/14/1087632314.db2.gz NRMFXDFRPHMZKG-VTCYXGNWSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001483680105 1087641188 /nfs/dbraw/zinc/64/11/88/1087641188.db2.gz VRTYLLSONNCIDO-SJORKVTESA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCN1CC[C@]2(CCCN(Cc3ccccc3CC)CC2)C1=O ZINC001272420158 1087697215 /nfs/dbraw/zinc/69/72/15/1087697215.db2.gz CRMUNPFVWIYAGZ-OAQYLSRUSA-N 0 3 324.468 3.087 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@H](C)OC ZINC001233809310 1087697909 /nfs/dbraw/zinc/69/79/09/1087697909.db2.gz IELQMIKACMLXAQ-IRXDYDNUSA-N 0 3 312.498 3.305 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001099166270 1087716548 /nfs/dbraw/zinc/71/65/48/1087716548.db2.gz UCBWOEJDKIIXLW-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN CCCCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272477508 1087720815 /nfs/dbraw/zinc/72/08/15/1087720815.db2.gz UUSQTRALFGNGSF-GOSISDBHSA-N 0 3 305.466 3.327 20 30 DGEDHN CCCCCCCN1CCCC[C@]12CC(=O)N(CCCOC)C2 ZINC001272479107 1087727152 /nfs/dbraw/zinc/72/71/52/1087727152.db2.gz VZSFHLCMLNPAQM-LJQANCHMSA-N 0 3 324.509 3.450 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001279163882 1087727387 /nfs/dbraw/zinc/72/73/87/1087727387.db2.gz HBLPLFHEOIJJJA-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001158261961 1087746031 /nfs/dbraw/zinc/74/60/31/1087746031.db2.gz KZECXFIQUAWMOM-XMTFNYHQSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001158261962 1087747299 /nfs/dbraw/zinc/74/72/99/1087747299.db2.gz KZECXFIQUAWMOM-ZJPYXAASSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2CCCC(F)(F)F ZINC001272506544 1087766897 /nfs/dbraw/zinc/76/68/97/1087766897.db2.gz OPQPEVLFVQUKHI-OAHLLOKOSA-N 0 3 318.383 3.362 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@H](C)c2cccc(OC)c2)CC1 ZINC001483737670 1087782869 /nfs/dbraw/zinc/78/28/69/1087782869.db2.gz LLPVSSUGOFLJNP-OAHLLOKOSA-N 0 3 316.445 3.351 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc[nH]c1C1CC1 ZINC001158404852 1087813413 /nfs/dbraw/zinc/81/34/13/1087813413.db2.gz JGAPUZXAHRUWJO-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 ZINC001272575071 1087851042 /nfs/dbraw/zinc/85/10/42/1087851042.db2.gz WSNYUJDTIGITCS-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN CC[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)c(F)c1 ZINC001152019630 1087871992 /nfs/dbraw/zinc/87/19/92/1087871992.db2.gz VPMPAFYLWBHZBX-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN CCC1(C(=O)NCCNCc2ccc(C#N)cc2)CCCCC1 ZINC001152053784 1087884097 /nfs/dbraw/zinc/88/40/97/1087884097.db2.gz GSTSPFRKUVHSNU-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CCN1c2ccccc2C2(CCN(Cc3ccco3)CC2)C1=O ZINC001272579129 1087888208 /nfs/dbraw/zinc/88/82/08/1087888208.db2.gz XEQDHRQOSPGMPH-UHFFFAOYSA-N 0 3 322.408 3.346 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)cc1F ZINC001158519214 1087889122 /nfs/dbraw/zinc/88/91/22/1087889122.db2.gz YPPXCIRAKRDJTQ-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(OC)c1C ZINC001158534552 1087898959 /nfs/dbraw/zinc/89/89/59/1087898959.db2.gz YMKPFSICHWBQMW-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152188267 1087916573 /nfs/dbraw/zinc/91/65/73/1087916573.db2.gz GYRQCTIIDBBOFA-WPBGYSLVSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccccc1F ZINC001158611533 1087937327 /nfs/dbraw/zinc/93/73/27/1087937327.db2.gz HSSHVFDMPIZEAR-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089319053 1087946775 /nfs/dbraw/zinc/94/67/75/1087946775.db2.gz WFYZOGZMRATEER-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089319053 1087946799 /nfs/dbraw/zinc/94/67/99/1087946799.db2.gz WFYZOGZMRATEER-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001158689765 1087983637 /nfs/dbraw/zinc/98/36/37/1087983637.db2.gz RGHJBTIYPVNLMT-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001158746640 1088004281 /nfs/dbraw/zinc/00/42/81/1088004281.db2.gz DLSXERNVJMXGGS-UHFFFAOYSA-N 0 3 322.399 3.329 20 30 DGEDHN N#CC12CCC(Nc3cc(Cl)nc4c3CCNC4)(CC1)CC2 ZINC001158788415 1088030117 /nfs/dbraw/zinc/03/01/17/1088030117.db2.gz FPMLURIUULGQHX-UHFFFAOYSA-N 0 3 316.836 3.409 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001158887240 1088083108 /nfs/dbraw/zinc/08/31/08/1088083108.db2.gz SUHMDOVBYRFNAM-UHFFFAOYSA-N 0 3 321.465 3.305 20 30 DGEDHN CC1(C)CCC(C(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001152843781 1088098586 /nfs/dbraw/zinc/09/85/86/1088098586.db2.gz VWTGNAXNOCJNPR-UHFFFAOYSA-N 0 3 319.474 3.042 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC2CCC1CC2 ZINC001158928066 1088106095 /nfs/dbraw/zinc/10/60/95/1088106095.db2.gz LXJOYWHAIFXMEU-HIEASXQVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001159015106 1088140150 /nfs/dbraw/zinc/14/01/50/1088140150.db2.gz UIMXBBJONOBFAJ-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001159014710 1088140357 /nfs/dbraw/zinc/14/03/57/1088140357.db2.gz FEPRORQPMFLWDH-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)C/C=C\c1ccccc1 ZINC001153025055 1088144482 /nfs/dbraw/zinc/14/44/82/1088144482.db2.gz MYNXYPWHOJBYQX-DEQJRXDXSA-N 0 3 312.457 3.330 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001153253476 1088203500 /nfs/dbraw/zinc/20/35/00/1088203500.db2.gz LPSGLTZLAFFLCS-ZIAGYGMSSA-N 0 3 319.474 3.042 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)c1ccco1 ZINC001099236463 1088231109 /nfs/dbraw/zinc/23/11/09/1088231109.db2.gz ZNOFHSUVYOSHKF-LSDHHAIUSA-N 0 3 304.434 3.176 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)c1ccco1 ZINC001099236462 1088231411 /nfs/dbraw/zinc/23/14/11/1088231411.db2.gz ZNOFHSUVYOSHKF-HUUCEWRRSA-N 0 3 304.434 3.176 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1csc2cc(C)ccc21 ZINC001153599211 1088298652 /nfs/dbraw/zinc/29/86/52/1088298652.db2.gz MUZLFPTXMCWJFH-CQSZACIVSA-N 0 3 314.454 3.283 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2oc(C)cc2C)CC(C)(C)C1 ZINC001089349102 1088377512 /nfs/dbraw/zinc/37/75/12/1088377512.db2.gz YQJGYMJSOPZHMC-INIZCTEOSA-N 0 3 316.445 3.140 20 30 DGEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cccc(F)c1)CC2 ZINC001272654424 1088463562 /nfs/dbraw/zinc/46/35/62/1088463562.db2.gz XDXKAGMIFXPFOE-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1ccccc1F ZINC001168512365 1088516175 /nfs/dbraw/zinc/51/61/75/1088516175.db2.gz ICTNOXXOCKBTGX-LBPRGKRZSA-N 0 3 312.816 3.168 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cc(C)oc1C ZINC001272663571 1088532305 /nfs/dbraw/zinc/53/23/05/1088532305.db2.gz QRZZCCAEOXMRTP-UHFFFAOYSA-N 0 3 324.424 3.282 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2=CCCCCC2)CC(C)(C)C1 ZINC001089372496 1088544507 /nfs/dbraw/zinc/54/45/07/1088544507.db2.gz OPPVEPUZCBLEEM-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccc(C)cc2)CC1 ZINC001483759878 1088549426 /nfs/dbraw/zinc/54/94/26/1088549426.db2.gz DQUOPROCEHEEJW-INIZCTEOSA-N 0 3 300.446 3.336 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)C1(N(C)C)CCCC1 ZINC001154371852 1088587458 /nfs/dbraw/zinc/58/74/58/1088587458.db2.gz KUKXOGWHPSLWDM-UHFFFAOYSA-N 0 3 316.445 3.397 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)CC(C)(C)C1 ZINC001089452254 1088627816 /nfs/dbraw/zinc/62/78/16/1088627816.db2.gz BJESVBAUYDCJSY-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2occc2CC)CC(C)(C)C1 ZINC001089482699 1088677471 /nfs/dbraw/zinc/67/74/71/1088677471.db2.gz BKVXSORXNUPMBY-MRXNPFEDSA-N 0 3 316.445 3.086 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2csc(C)c2C)CC1 ZINC001160236697 1088718332 /nfs/dbraw/zinc/71/83/32/1088718332.db2.gz XMPOMNLNVBDCEN-UHFFFAOYSA-N 0 3 316.470 3.140 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)CC(C)(C)C1 ZINC001089544730 1088729637 /nfs/dbraw/zinc/72/96/37/1088729637.db2.gz XQMIRMAUJFQSGI-MRXNPFEDSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2Cl)CC(C)(C)C1 ZINC001089544968 1088730506 /nfs/dbraw/zinc/73/05/06/1088730506.db2.gz DMGFKURALZAKEW-AWEZNQCLSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001089594227 1088785295 /nfs/dbraw/zinc/78/52/95/1088785295.db2.gz ZNJDWHJMOXNEMT-QGZVFWFLSA-N 0 3 316.420 3.069 20 30 DGEDHN N#Cc1cc(Nc2ccc(CN)nc2)nc2ccc(Cl)cc12 ZINC001160406137 1088788561 /nfs/dbraw/zinc/78/85/61/1088788561.db2.gz OLGNANCPOQRXMA-UHFFFAOYSA-N 0 3 309.760 3.357 20 30 DGEDHN C=CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001089621217 1088836675 /nfs/dbraw/zinc/83/66/75/1088836675.db2.gz PWFIWKWNEBUDNJ-CQSZACIVSA-N 0 3 321.490 3.248 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001089630695 1088854979 /nfs/dbraw/zinc/85/49/79/1088854979.db2.gz UKTFAVYQUHIPII-AWEZNQCLSA-N 0 3 319.449 3.034 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001089630915 1088855358 /nfs/dbraw/zinc/85/53/58/1088855358.db2.gz BRJLZPTVUKDWFD-AWEZNQCLSA-N 0 3 321.490 3.248 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001089636610 1088861665 /nfs/dbraw/zinc/86/16/65/1088861665.db2.gz DSVUJQCAJQMMHX-OAHLLOKOSA-N 0 3 317.477 3.374 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)C(CC)CC)CC1 ZINC001160551119 1088865584 /nfs/dbraw/zinc/86/55/84/1088865584.db2.gz HKGPCPCXLIXKHS-MRXNPFEDSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)n(CC)c2C)CC1 ZINC001160613832 1088893211 /nfs/dbraw/zinc/89/32/11/1088893211.db2.gz UIRCWAQJJVMWBR-UHFFFAOYSA-N 0 3 315.461 3.063 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(F)cc(C)cc2F)CC1 ZINC001160645671 1088904597 /nfs/dbraw/zinc/90/45/97/1088904597.db2.gz GPXDWKONEHGNGK-UHFFFAOYSA-N 0 3 320.383 3.211 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001483832950 1088935285 /nfs/dbraw/zinc/93/52/85/1088935285.db2.gz QUOQQGSXKDEXBM-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@H]1CCC(C)(C)CN1CC=C ZINC001089652197 1088946289 /nfs/dbraw/zinc/94/62/89/1088946289.db2.gz ZJLUUMNAUSZCGG-MRXNPFEDSA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N(C)Cc1ccc(F)cc1F ZINC001160876653 1089000679 /nfs/dbraw/zinc/00/06/79/1089000679.db2.gz ZHNDRSYTEIEYBN-INIZCTEOSA-N 0 3 310.388 3.387 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001483920077 1089004238 /nfs/dbraw/zinc/00/42/38/1089004238.db2.gz MSOCTVDHKJZIOU-AWEZNQCLSA-N 0 3 319.474 3.137 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1cc(C#N)c2ccccc2n1 ZINC001155258133 1089031159 /nfs/dbraw/zinc/03/11/59/1089031159.db2.gz MJFDGRZZKSXIFG-LBPRGKRZSA-N 0 3 313.364 3.465 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001483973261 1089058954 /nfs/dbraw/zinc/05/89/54/1089058954.db2.gz UJAXLMHOXOYQGM-INIZCTEOSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCN(C(=O)CCCCC)C1CCN(CC=C(C)C)CC1 ZINC001483979908 1089066981 /nfs/dbraw/zinc/06/69/81/1089066981.db2.gz FBRHDKMNBIGSEX-UHFFFAOYSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)C1CCN(CC=C)CC1 ZINC001483984101 1089069309 /nfs/dbraw/zinc/06/93/09/1089069309.db2.gz SGIOORXTASCPAE-PKOBYXMFSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2sccc2s1 ZINC001161012058 1089074601 /nfs/dbraw/zinc/07/46/01/1089074601.db2.gz FNYSEQUJZSLMJH-UHFFFAOYSA-N 0 3 314.863 3.425 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@H]1CC1(C)C)c1ccc2ccccc2c1 ZINC001483993778 1089079174 /nfs/dbraw/zinc/07/91/74/1089079174.db2.gz ZTOQMWWMWDSENH-MOPGFXCFSA-N 0 3 320.436 3.266 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001161063588 1089098474 /nfs/dbraw/zinc/09/84/74/1089098474.db2.gz XEAINFHEXGQZLJ-UHFFFAOYSA-N 0 3 309.413 3.106 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001484054416 1089142092 /nfs/dbraw/zinc/14/20/92/1089142092.db2.gz KVVUCBMJDXSJEU-SFHVURJKSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001089685480 1089161583 /nfs/dbraw/zinc/16/15/83/1089161583.db2.gz DCUBOPONBSHTDX-HZMVEIRTSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001089685481 1089161974 /nfs/dbraw/zinc/16/19/74/1089161974.db2.gz DCUBOPONBSHTDX-LTIDMASMSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001484068913 1089165801 /nfs/dbraw/zinc/16/58/01/1089165801.db2.gz YKQBHOCVNPOTTB-YLJYHZDGSA-N 0 3 312.457 3.263 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001155581372 1089173765 /nfs/dbraw/zinc/17/37/65/1089173765.db2.gz RBUKUHURTLZWGT-HZPDHXFCSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC001161320805 1089190132 /nfs/dbraw/zinc/19/01/32/1089190132.db2.gz QURYUPKILGKFQT-FQEVSTJZSA-N 0 3 324.468 3.116 20 30 DGEDHN C=CCCC(=O)NC[C@@]1(C)CCCN(Cc2ccsc2)C1 ZINC001484152984 1089228688 /nfs/dbraw/zinc/22/86/88/1089228688.db2.gz SDVGADPSWJEUDI-QGZVFWFLSA-N 0 3 306.475 3.433 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001484158554 1089248419 /nfs/dbraw/zinc/24/84/19/1089248419.db2.gz DSSCQBICLBYBME-WMZOPIPTSA-N 0 3 304.478 3.361 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001484173810 1089255472 /nfs/dbraw/zinc/25/54/72/1089255472.db2.gz HXPPHDOHRBXYMT-HXUWFJFHSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccc(C)s2)C1 ZINC001484175319 1089271021 /nfs/dbraw/zinc/27/10/21/1089271021.db2.gz OXXXPSWCNSNYMB-GOSISDBHSA-N 0 3 320.502 3.393 20 30 DGEDHN CCCCCC[C@H](C)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001155924260 1089302985 /nfs/dbraw/zinc/30/29/85/1089302985.db2.gz FGMAMGHWBQYPFQ-ZWKOTPCHSA-N 0 3 324.509 3.069 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001089735966 1089319372 /nfs/dbraw/zinc/31/93/72/1089319372.db2.gz RVOSGRHWOAJSRB-OAHLLOKOSA-N 0 3 303.450 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001484320982 1089328220 /nfs/dbraw/zinc/32/82/20/1089328220.db2.gz YXNKFPUHEXYTKK-WBZPIZBHSA-N 0 3 310.869 3.310 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccoc1C)c1ccccc1CC ZINC001484322579 1089331996 /nfs/dbraw/zinc/33/19/96/1089331996.db2.gz ALEJDPKTVCFJTP-GOSISDBHSA-N 0 3 312.413 3.397 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccnc1C)c1ccccc1CC ZINC001484322516 1089332900 /nfs/dbraw/zinc/33/29/00/1089332900.db2.gz GEQZMTCJGAHCOQ-IBGZPJMESA-N 0 3 323.440 3.199 20 30 DGEDHN C#CCCN[C@H](CNC(=O)/C=C(\C)CC)c1ccccc1CC ZINC001484324789 1089336614 /nfs/dbraw/zinc/33/66/14/1089336614.db2.gz MVPMDEJRBCEBKD-JRJUITNWSA-N 0 3 312.457 3.376 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@]1(C)C=CCC1)c1ccccc1CC ZINC001484325032 1089337345 /nfs/dbraw/zinc/33/73/45/1089337345.db2.gz XBCBXPMITDBPPT-CTNGQTDRSA-N 0 3 324.468 3.376 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)c(CC)o2)CC1 ZINC001161687943 1089347099 /nfs/dbraw/zinc/34/70/99/1089347099.db2.gz AYRGOQRCRBZIHS-UHFFFAOYSA-N 0 3 302.418 3.088 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001161729218 1089374004 /nfs/dbraw/zinc/37/40/04/1089374004.db2.gz OSGRYOZTILDWAZ-QGZVFWFLSA-N 0 3 312.457 3.423 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(CC)CC ZINC001089774263 1089375935 /nfs/dbraw/zinc/37/59/35/1089375935.db2.gz WTPMKOCZKPOHEM-NXOAAHMSSA-N 0 3 324.896 3.344 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(CC)CC ZINC001089774265 1089376121 /nfs/dbraw/zinc/37/61/21/1089376121.db2.gz WTPMKOCZKPOHEM-YVSFHVDLSA-N 0 3 324.896 3.344 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(OCC)cc2)CC1 ZINC001161805391 1089412639 /nfs/dbraw/zinc/41/26/39/1089412639.db2.gz GSQILPSCXKNQNT-UHFFFAOYSA-N 0 3 314.429 3.023 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC2CC2)C1 ZINC001089785795 1089423337 /nfs/dbraw/zinc/42/33/37/1089423337.db2.gz DHCRXWMJCBKWRO-QAETUUGQSA-N 0 3 322.880 3.098 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC=C)CCCC1 ZINC001484467550 1089436641 /nfs/dbraw/zinc/43/66/41/1089436641.db2.gz LARXXELZUPUKSL-SJORKVTESA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001484507643 1089447322 /nfs/dbraw/zinc/44/73/22/1089447322.db2.gz GCLZZQLKUIHONP-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC001161914153 1089466214 /nfs/dbraw/zinc/46/62/14/1089466214.db2.gz HEEFUFKXWGBHPO-KRWDZBQOSA-N 0 3 312.457 3.190 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)c2ccccc2C)CC1 ZINC001161918646 1089469135 /nfs/dbraw/zinc/46/91/35/1089469135.db2.gz CVBFTWXWAUSBCF-GOSISDBHSA-N 0 3 324.468 3.260 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001161919184 1089471527 /nfs/dbraw/zinc/47/15/27/1089471527.db2.gz LAJFRAJOUZFVKE-UHFFFAOYSA-N 0 3 322.452 3.339 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2ccccc2C)CC1 ZINC001161924757 1089474205 /nfs/dbraw/zinc/47/42/05/1089474205.db2.gz JHZZVPVAGKXRLQ-QGZVFWFLSA-N 0 3 312.457 3.423 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC001484536914 1089474568 /nfs/dbraw/zinc/47/45/68/1089474568.db2.gz VLOAQKZTULXCAJ-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C=C)c2ccccc2)CC1 ZINC001161925283 1089475654 /nfs/dbraw/zinc/47/56/54/1089475654.db2.gz ZRUGUWIAUPCBPH-LJQANCHMSA-N 0 3 310.441 3.281 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001484557362 1089492311 /nfs/dbraw/zinc/49/23/11/1089492311.db2.gz KCSLJRBNDYNVII-CRAIPNDOSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(CC)cc2)cc1 ZINC001484563828 1089498839 /nfs/dbraw/zinc/49/88/39/1089498839.db2.gz VWUAUERKPLRWTK-MRXNPFEDSA-N 0 3 320.436 3.463 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2coc3ccccc23)CC1 ZINC001162003309 1089518530 /nfs/dbraw/zinc/51/85/30/1089518530.db2.gz ZZZCPVCQRUGGQI-UHFFFAOYSA-N 0 3 310.397 3.371 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(CC=C)CCCC2)CC1 ZINC001162012964 1089523169 /nfs/dbraw/zinc/52/31/69/1089523169.db2.gz ZSCMYEPHGYNGEQ-UHFFFAOYSA-N 0 3 302.462 3.447 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001162129532 1089560416 /nfs/dbraw/zinc/56/04/16/1089560416.db2.gz GAJKCHNCWHVVOB-WFASDCNBSA-N 0 3 324.852 3.184 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001484703898 1089588733 /nfs/dbraw/zinc/58/87/33/1089588733.db2.gz KJKMUXNUJZJIHE-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001484720725 1089629484 /nfs/dbraw/zinc/62/94/84/1089629484.db2.gz TYMVTMSRGVAYBS-IAGOWNOFSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001484720724 1089630851 /nfs/dbraw/zinc/63/08/51/1089630851.db2.gz TYMVTMSRGVAYBS-DLBZAZTESA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(Cl)c1F ZINC001156672855 1089634852 /nfs/dbraw/zinc/63/48/52/1089634852.db2.gz ZFILOCOIQZFYRV-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001162251954 1089637608 /nfs/dbraw/zinc/63/76/08/1089637608.db2.gz ZGIZZSNHOIRMDG-IAGOWNOFSA-N 0 3 320.864 3.419 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2c(s1)CCCCC2 ZINC001156733750 1089669245 /nfs/dbraw/zinc/66/92/45/1089669245.db2.gz JHWHMVVDYPUAKQ-CQSZACIVSA-N 0 3 318.486 3.090 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001156745750 1089674822 /nfs/dbraw/zinc/67/48/22/1089674822.db2.gz FZOTZPTYXXLGQG-MJGOQNOKSA-N 0 3 314.473 3.420 20 30 DGEDHN Cc1c(Cl)c(Cl)nc(N[C@@]2(C)CCCN(C)C2)c1C#N ZINC001162343010 1089683218 /nfs/dbraw/zinc/68/32/18/1089683218.db2.gz ZHRARCWOKXPYKU-AWEZNQCLSA-N 0 3 313.232 3.465 20 30 DGEDHN C=CCCC(=O)N1CCC(CC)(NCc2nc(C)oc2C)CC1 ZINC001484809892 1089686985 /nfs/dbraw/zinc/68/69/85/1089686985.db2.gz NESFSYJRNGNEIU-UHFFFAOYSA-N 0 3 319.449 3.118 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc2ccccc2c1 ZINC001156814120 1089704273 /nfs/dbraw/zinc/70/42/73/1089704273.db2.gz LHBIDABGMLEBCP-QGZVFWFLSA-N 0 3 322.452 3.232 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)Cc2ccc(C)o2)cc1 ZINC001272691079 1089712021 /nfs/dbraw/zinc/71/20/21/1089712021.db2.gz INEOAGYTXAEKFW-MRXNPFEDSA-N 0 3 324.424 3.121 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC23CC3)cc1 ZINC001272691539 1089712730 /nfs/dbraw/zinc/71/27/30/1089712730.db2.gz MFYUBPHQPGJCHP-QAPCUYQASA-N 0 3 310.441 3.167 20 30 DGEDHN N#Cc1cc(Cl)c(Cl)nc1-n1nc(CN)c2ccccc21 ZINC001156856078 1089719766 /nfs/dbraw/zinc/71/97/66/1089719766.db2.gz VXSZYFNZZADWLS-UHFFFAOYSA-N 0 3 318.167 3.058 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001484887619 1089722791 /nfs/dbraw/zinc/72/27/91/1089722791.db2.gz CYWUPJVFCWUMNG-DYVFJYSZSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCCC(=O)N1CCC(C)(NCc2csc(CC)n2)CC1 ZINC001484913098 1089743046 /nfs/dbraw/zinc/74/30/46/1089743046.db2.gz CFSQFVNCNGTGIN-UHFFFAOYSA-N 0 3 321.490 3.142 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001157172263 1089853911 /nfs/dbraw/zinc/85/39/11/1089853911.db2.gz MPGMJCZBEZVMSE-ZWKOTPCHSA-N 0 3 314.473 3.024 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001157172286 1089855154 /nfs/dbraw/zinc/85/51/54/1089855154.db2.gz NADSDLQKGKCCMP-CRAIPNDOSA-N 0 3 318.436 3.025 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1oc(C(F)F)cc1C ZINC001485059586 1089909518 /nfs/dbraw/zinc/90/95/18/1089909518.db2.gz KLYIAQHTKUCMRO-LBPRGKRZSA-N 0 3 312.360 3.248 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001157347303 1089918492 /nfs/dbraw/zinc/91/84/92/1089918492.db2.gz LTWAITRUMXYULW-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cc(C#N)cc2[nH]ccc21 ZINC001162777145 1089948389 /nfs/dbraw/zinc/94/83/89/1089948389.db2.gz LYRYLGQUUGQIQP-LLVKDONJSA-N 0 3 301.353 3.398 20 30 DGEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)[C@@H](C)CC ZINC001485246092 1090053296 /nfs/dbraw/zinc/05/32/96/1090053296.db2.gz MLDMQIKWLZBIBV-NSHDSACASA-N 0 3 319.287 3.015 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2cccc(C)c2s1 ZINC001485320895 1090098963 /nfs/dbraw/zinc/09/89/63/1090098963.db2.gz TUJMMPXXEIPERN-ZDUSSCGKSA-N 0 3 302.443 3.446 20 30 DGEDHN CO/N=C/c1cc(N[C@@H]2CNCc3ccsc32)cc(F)c1F ZINC001163235624 1090129443 /nfs/dbraw/zinc/12/94/43/1090129443.db2.gz CLJPVNIMOJMUNS-XBUYPFFFSA-N 0 3 323.368 3.263 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001157902842 1090146947 /nfs/dbraw/zinc/14/69/47/1090146947.db2.gz PGRWOCQISCERJR-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(C)n2)CCCCC1 ZINC001485446786 1090165938 /nfs/dbraw/zinc/16/59/38/1090165938.db2.gz QSHGOVFMBJJJSF-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1sc(C)cc1C ZINC001158005245 1090168711 /nfs/dbraw/zinc/16/87/11/1090168711.db2.gz KMTNMYZLMLIOLI-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN N#Cc1c(-c2ccccc2)ccnc1N[C@H]1CN2CCC1CC2 ZINC001163380847 1090171983 /nfs/dbraw/zinc/17/19/83/1090171983.db2.gz HESNMCKRHQRQLQ-SFHVURJKSA-N 0 3 304.397 3.126 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 ZINC001158072013 1090182328 /nfs/dbraw/zinc/18/23/28/1090182328.db2.gz ORFQYFAQPILIAH-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CN(CCOCC(C)C)CC1(C)C ZINC001485575628 1090220782 /nfs/dbraw/zinc/22/07/82/1090220782.db2.gz PRVLBTRHCJLINK-LPHOPBHVSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(C)cs1 ZINC001485721388 1090250602 /nfs/dbraw/zinc/25/06/02/1090250602.db2.gz MYIZTVZOTSUNRG-GFCCVEGCSA-N 0 3 300.855 3.297 20 30 DGEDHN C=CCCCC(=O)N1C[C@@]2(C)CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001485668954 1090236087 /nfs/dbraw/zinc/23/60/87/1090236087.db2.gz LTCICZPVECOSJB-RYQLBKOJSA-N 0 3 310.457 3.261 20 30 DGEDHN CCN1CCCN(c2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001163776199 1090255866 /nfs/dbraw/zinc/25/58/66/1090255866.db2.gz LHVXGCQTHAOOHH-UHFFFAOYSA-N 0 3 314.820 3.292 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c[nH]c2ccccc21 ZINC001485729054 1090257379 /nfs/dbraw/zinc/25/73/79/1090257379.db2.gz GKWRGIIPQJEHCB-ZDUSSCGKSA-N 0 3 319.836 3.409 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1(F)CCCCC1 ZINC001485745766 1090264857 /nfs/dbraw/zinc/26/48/57/1090264857.db2.gz TVWAYESKTJOQDM-CYBMUJFWSA-N 0 3 304.837 3.286 20 30 DGEDHN Cc1[nH+]ccn1CCNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001163928873 1090288756 /nfs/dbraw/zinc/28/87/56/1090288756.db2.gz NKBFSYFBFVWONN-AWQFTUOYSA-N 0 3 312.295 3.131 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)ccc1F)CC2 ZINC001272707628 1090311210 /nfs/dbraw/zinc/31/12/10/1090311210.db2.gz VRZVXBVODJFXCL-INIZCTEOSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001485812112 1090314824 /nfs/dbraw/zinc/31/48/24/1090314824.db2.gz YQEVSTYSKFIZHS-HXUWFJFHSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CC1CC[NH+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237682352 1090317123 /nfs/dbraw/zinc/31/71/23/1090317123.db2.gz RCHOWJYCYNBBAQ-UHFFFAOYSA-N 0 3 308.219 3.308 20 30 DGEDHN CC#CCCCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001164263145 1090388956 /nfs/dbraw/zinc/38/89/56/1090388956.db2.gz YSZGYPUFPUNRMR-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164346113 1090407622 /nfs/dbraw/zinc/40/76/22/1090407622.db2.gz LAVHFRLGZFNIFN-CQSZACIVSA-N 0 3 321.465 3.305 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706517 1090489479 /nfs/dbraw/zinc/48/94/79/1090489479.db2.gz RNECOGAGWTYJLU-QFBILLFUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccccn2)CCCCC1 ZINC001115701153 1090498968 /nfs/dbraw/zinc/49/89/68/1090498968.db2.gz AHGNHBJKNCISAK-UHFFFAOYSA-N 0 3 315.461 3.347 20 30 DGEDHN CCc1ccccc1C(=O)NCCCNCc1ccccc1C#N ZINC001165327920 1090504551 /nfs/dbraw/zinc/50/45/51/1090504551.db2.gz KMBWPRWXRSLNKB-UHFFFAOYSA-N 0 3 321.424 3.030 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107819906 1090509973 /nfs/dbraw/zinc/50/99/73/1090509973.db2.gz WOUDKBOOEQXJRC-YPTLYQBQSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001165702839 1090540519 /nfs/dbraw/zinc/54/05/19/1090540519.db2.gz GACOBGGTBAFCPQ-OAHLLOKOSA-N 0 3 310.869 3.361 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001165764451 1090547114 /nfs/dbraw/zinc/54/71/14/1090547114.db2.gz QMOGSSXGRKVCBO-ZDUSSCGKSA-N 0 3 300.874 3.297 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001165873493 1090555410 /nfs/dbraw/zinc/55/54/10/1090555410.db2.gz XHGOWLFSDBFREB-ZNMIVQPWSA-N 0 3 310.869 3.051 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001166125761 1090581709 /nfs/dbraw/zinc/58/17/09/1090581709.db2.gz IMFKRUASGGNTBI-ZIAGYGMSSA-N 0 3 312.885 3.297 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN[C@H](C)c2cc(F)ccc2F)C1 ZINC001166230617 1090590105 /nfs/dbraw/zinc/59/01/05/1090590105.db2.gz CXXOACCHVIECBK-CYBMUJFWSA-N 0 3 322.399 3.478 20 30 DGEDHN C=C(C)CCC(=O)NC[C@]1(C)CN(C[C@H](C)CC(C)C)CCO1 ZINC001107976405 1090606661 /nfs/dbraw/zinc/60/66/61/1090606661.db2.gz LNUFKWGSURGHGU-IEBWSBKVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001166685252 1090642088 /nfs/dbraw/zinc/64/20/88/1090642088.db2.gz AXHZYTIZHSHJDL-ZFWWWQNUSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001166875846 1090671309 /nfs/dbraw/zinc/67/13/09/1090671309.db2.gz MGQIHIWGFSVTPI-HIFRSBDPSA-N 0 3 312.885 3.441 20 30 DGEDHN CC1(C)CCC(CN2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001167016673 1090695220 /nfs/dbraw/zinc/69/52/20/1090695220.db2.gz NYDVHGJSACTDBN-UHFFFAOYSA-N 0 3 312.461 3.292 20 30 DGEDHN C=CCC1(C(=O)NCCC2(CNCC(=C)Cl)CC2)CCC1 ZINC001167036109 1090699310 /nfs/dbraw/zinc/69/93/10/1090699310.db2.gz VYABDGCLQDQRQH-UHFFFAOYSA-N 0 3 310.869 3.361 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C)s2)C1=O ZINC001272935852 1090706166 /nfs/dbraw/zinc/70/61/66/1090706166.db2.gz DMLSVKFCIYLWLA-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1cc2ccccc2o1 ZINC001485855677 1090709466 /nfs/dbraw/zinc/70/94/66/1090709466.db2.gz YNQBRMXKVSZMKY-AWEZNQCLSA-N 0 3 300.402 3.336 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccn(-c3ccccc3)n1)C2 ZINC001203445892 1090736540 /nfs/dbraw/zinc/73/65/40/1090736540.db2.gz BOUNMEKITRLBDA-IBGZPJMESA-N 0 3 314.392 3.001 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccc(Cl)s2)C[C@H]1C ZINC001486104358 1090750748 /nfs/dbraw/zinc/75/07/48/1090750748.db2.gz CYIJBGNHWOUJRV-VXGBXAGGSA-N 0 3 312.866 3.447 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](CC)OC3CCCC3)CCC[C@@H]12 ZINC001486147838 1090764627 /nfs/dbraw/zinc/76/46/27/1090764627.db2.gz QTFYZXPURYUYNV-YQVWRLOYSA-N 0 3 320.477 3.023 20 30 DGEDHN CCc1ccccc1CN(C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001486365262 1090807394 /nfs/dbraw/zinc/80/73/94/1090807394.db2.gz RRNKICIRRQHDHT-MRXNPFEDSA-N 0 3 315.461 3.077 20 30 DGEDHN CC(C)N(CCN(C)[C@H](C)c1ccccc1)C(=O)C#CC1CC1 ZINC001486368505 1090809104 /nfs/dbraw/zinc/80/91/04/1090809104.db2.gz QHZPTUMDXCGCHY-QGZVFWFLSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2ccc(C)cc2[nH]1)C(C)C ZINC001486372988 1090812428 /nfs/dbraw/zinc/81/24/28/1090812428.db2.gz NOGNKCZYFUOCIT-UHFFFAOYSA-N 0 3 313.445 3.445 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](F)CC1CCCCC1)C(C)C ZINC001486378760 1090815701 /nfs/dbraw/zinc/81/57/01/1090815701.db2.gz QPUSIGUXFQHZRJ-SFHVURJKSA-N 0 3 324.484 3.487 20 30 DGEDHN O=C1C=C2CN(Cc3cccc(C(F)(F)F)c3)CCC2S1 ZINC001203886519 1090827105 /nfs/dbraw/zinc/82/71/05/1090827105.db2.gz RPRJIKBFTXHNDO-CYBMUJFWSA-N 0 3 313.344 3.480 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001486415117 1090832872 /nfs/dbraw/zinc/83/28/72/1090832872.db2.gz BRBYCGUDOKQODE-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN CC(C)C#CC(=O)N(C)C1CC(NCc2ccccc2Cl)C1 ZINC001486461272 1090846948 /nfs/dbraw/zinc/84/69/48/1090846948.db2.gz MMXBPQGAYQTYOD-UHFFFAOYSA-N 0 3 318.848 3.078 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC[C@H](C)CC)CC2)CC1 ZINC001486491327 1090855591 /nfs/dbraw/zinc/85/55/91/1090855591.db2.gz QVZCSNOYRMPFSC-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001128242494 1090924132 /nfs/dbraw/zinc/92/41/32/1090924132.db2.gz QSYIBRJHSGRHKV-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCOc1ccc(CN2CCc3ncnc(CC)c3CC2)cc1 ZINC001204300766 1090943485 /nfs/dbraw/zinc/94/34/85/1090943485.db2.gz RSKPGNDRGDWYMU-UHFFFAOYSA-N 0 3 323.440 3.205 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](CC(=O)OC)C2)cc1 ZINC001204303302 1090944405 /nfs/dbraw/zinc/94/44/05/1090944405.db2.gz GFFGLHOVVWVXFA-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cncc2sccc21 ZINC001272979490 1090956776 /nfs/dbraw/zinc/95/67/76/1090956776.db2.gz WMLVTHWLCFAWKD-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN CC(C)CCCCC(=O)NCCCNCc1ccccc1C#N ZINC001168715850 1090980757 /nfs/dbraw/zinc/98/07/57/1090980757.db2.gz XROIWIQHKZHQSI-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccc(CC#N)cc3)c2)CC1 ZINC001204537137 1090995206 /nfs/dbraw/zinc/99/52/06/1090995206.db2.gz DXZZUQJPZABJJV-UHFFFAOYSA-N 0 3 320.440 3.244 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@]23C[C@H]2CCC3)CCCCC1 ZINC001115637938 1091000907 /nfs/dbraw/zinc/00/09/07/1091000907.db2.gz UCKFZEVFCBAQPC-RHSMWYFYSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C1CC(C)(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001292150727 1091135879 /nfs/dbraw/zinc/13/58/79/1091135879.db2.gz OZQADHHUNYZKRE-UHFFFAOYSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108143574 1091142354 /nfs/dbraw/zinc/14/23/54/1091142354.db2.gz BXGFLYRQNLHBOW-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108143576 1091142427 /nfs/dbraw/zinc/14/24/27/1091142427.db2.gz BXGFLYRQNLHBOW-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCOc1ccc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1 ZINC001138555982 1091227302 /nfs/dbraw/zinc/22/73/02/1091227302.db2.gz ADFSPBKZVCIRAU-PMACEKPBSA-N 0 3 317.388 3.111 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c1[O-] ZINC001138628184 1091260437 /nfs/dbraw/zinc/26/04/37/1091260437.db2.gz QEWMQBVUOUQHQB-UHFFFAOYSA-N 0 3 322.399 3.036 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@H](C)C[C@@H](C(=O)OC)C1 ZINC001138664976 1091280963 /nfs/dbraw/zinc/28/09/63/1091280963.db2.gz CXDISOUREKZFFL-NVXWUHKLSA-N 0 3 317.429 3.273 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC[C@H](c2nc(C)no2)C1 ZINC001138665113 1091281693 /nfs/dbraw/zinc/28/16/93/1091281693.db2.gz GPPYDJJEXVWAHT-INIZCTEOSA-N 0 3 313.401 3.322 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1cccc(Cl)c1F ZINC001163948417 1091383780 /nfs/dbraw/zinc/38/37/80/1091383780.db2.gz HKJIPWJSIDEGGB-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN CCCCCCCN(C)Cc1cnc(N2CCOCC2)s1 ZINC001139046520 1091428399 /nfs/dbraw/zinc/42/83/99/1091428399.db2.gz OKWUQMXFJCDBEN-UHFFFAOYSA-N 0 3 311.495 3.382 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)CC3CCCC3)[C@@H]2C1 ZINC001084698770 1091539746 /nfs/dbraw/zinc/53/97/46/1091539746.db2.gz IQYFNYVCEVXTGN-KBAYOESNSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN(CC)Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001139386377 1091540134 /nfs/dbraw/zinc/54/01/34/1091540134.db2.gz YBJMKHNXQRGCFT-IYBDPMFKSA-N 0 3 303.450 3.093 20 30 DGEDHN N#Cc1ccnc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)C4=O)cc2)c1 ZINC001139404904 1091550447 /nfs/dbraw/zinc/55/04/47/1091550447.db2.gz DWDVKBUXSAQHAL-HDICACEKSA-N 0 3 317.392 3.031 20 30 DGEDHN C[C@H](OCCN1CCCC1)C(F)(F)C(F)(F)C(F)(F)F ZINC001206302655 1091568769 /nfs/dbraw/zinc/56/87/69/1091568769.db2.gz PCFWINZJIGUAGJ-QMMMGPOBSA-N 0 3 311.241 3.320 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842286 1091586731 /nfs/dbraw/zinc/58/67/31/1091586731.db2.gz JAQSAVFIJWLXEH-QGPMSJSTSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccoc3C(C)C)[C@@H]2C1 ZINC001084861925 1091599741 /nfs/dbraw/zinc/59/97/41/1091599741.db2.gz MGSRAQPGAPZELV-GDBMZVCRSA-N 0 3 302.418 3.125 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC=CCCC3)C[C@@H]21 ZINC001084969519 1091626478 /nfs/dbraw/zinc/62/64/78/1091626478.db2.gz MCCCYCKTYFTAJP-QYZOEREBSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4ccccc43)C[C@@H]21 ZINC001084971897 1091626548 /nfs/dbraw/zinc/62/65/48/1091626548.db2.gz GBYOYTCVXALLIR-HOJAQTOUSA-N 0 3 324.468 3.215 20 30 DGEDHN CC1(C)OCCC12CCN(Cc1cc(C#N)ccc1F)CC2 ZINC001139649756 1091634318 /nfs/dbraw/zinc/63/43/18/1091634318.db2.gz DWUUSFVYJGWBLN-UHFFFAOYSA-N 0 3 302.393 3.478 20 30 DGEDHN COC(=O)c1cccc2[nH]cc(CN3CCC[C@H](CC#N)C3)c21 ZINC001139721422 1091652983 /nfs/dbraw/zinc/65/29/83/1091652983.db2.gz HHYSEPQECQFTNU-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139725906 1091654089 /nfs/dbraw/zinc/65/40/89/1091654089.db2.gz IYUJYICUAMISEF-INIZCTEOSA-N 0 3 314.429 3.420 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cccc(C)c1F)CC2 ZINC001273257929 1091655282 /nfs/dbraw/zinc/65/52/82/1091655282.db2.gz SVCPPVXEOCUBMP-MRXNPFEDSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(F)c3)C[C@@H]21 ZINC001085097752 1091668143 /nfs/dbraw/zinc/66/81/43/1091668143.db2.gz WKNGGNBJLMZABH-DAYGRLMNSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C)CCC(C)CC3)C[C@@H]21 ZINC001085103971 1091671504 /nfs/dbraw/zinc/67/15/04/1091671504.db2.gz XXNZIHNHPSUCNK-ISXWCOSWSA-N 0 3 304.478 3.312 20 30 DGEDHN CN(C/C=C\c1ccc(F)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001206576811 1091675192 /nfs/dbraw/zinc/67/51/92/1091675192.db2.gz FKDOVOAVMGGJGY-UABKOXTMSA-N 0 3 310.372 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1C ZINC001085281217 1091733115 /nfs/dbraw/zinc/73/31/15/1091733115.db2.gz HUGIGSXBXQRCEM-HUUCEWRRSA-N 0 3 321.852 3.082 20 30 DGEDHN Cn1cc(CN2CCC3(C=Cc4ccccc43)CC2)cc1C#N ZINC001207104863 1091845579 /nfs/dbraw/zinc/84/55/79/1091845579.db2.gz ZJUSFHGEZYEEKJ-UHFFFAOYSA-N 0 3 303.409 3.457 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[C@H](C)CCC)C1 ZINC001207120390 1091851942 /nfs/dbraw/zinc/85/19/42/1091851942.db2.gz OVKHFLWBYFORTM-KZNAEPCWSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(C)C)nc1CC ZINC001297373213 1091870670 /nfs/dbraw/zinc/87/06/70/1091870670.db2.gz OTDFGUZGZHJYFO-UHFFFAOYSA-N 0 3 317.477 3.347 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001297373497 1091871571 /nfs/dbraw/zinc/87/15/71/1091871571.db2.gz VYBBFZXPNGXDPA-UHFFFAOYSA-N 0 3 318.461 3.444 20 30 DGEDHN C=CCN(CC=C)Cc1c[nH]c2ncc(Br)cc12 ZINC001140459770 1091874393 /nfs/dbraw/zinc/87/43/93/1091874393.db2.gz NMEPUCAVEHNNMT-UHFFFAOYSA-N 0 3 306.207 3.499 20 30 DGEDHN C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCN2CC(C)C)cc1 ZINC001085678119 1091879078 /nfs/dbraw/zinc/87/90/78/1091879078.db2.gz BKECAIZVTKCHGZ-KRWDZBQOSA-N 0 3 316.445 3.054 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccsc1COC ZINC001085672085 1091879816 /nfs/dbraw/zinc/87/98/16/1091879816.db2.gz OOQJUCOSNLRWBH-CQSZACIVSA-N 0 3 322.474 3.007 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC001085706729 1091893753 /nfs/dbraw/zinc/89/37/53/1091893753.db2.gz VOLBFHUVSBCEKC-LJQANCHMSA-N 0 3 323.440 3.200 20 30 DGEDHN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(C#N)nc1 ZINC001140546233 1091904189 /nfs/dbraw/zinc/90/41/89/1091904189.db2.gz AHBFAJBEWWPWPP-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738497 1091906089 /nfs/dbraw/zinc/90/60/89/1091906089.db2.gz NROJSAQYODWBHM-FJIDUMEYSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785038 1091932697 /nfs/dbraw/zinc/93/26/97/1091932697.db2.gz HUFNGZQDDKQSOE-CYBMUJFWSA-N 0 3 312.360 3.330 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785473 1091935414 /nfs/dbraw/zinc/93/54/14/1091935414.db2.gz RCGBQNHMUPMXAJ-OAHLLOKOSA-N 0 3 302.418 3.270 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1F ZINC001085796472 1091942520 /nfs/dbraw/zinc/94/25/20/1091942520.db2.gz RUNZUEYNMLZABU-GFCCVEGCSA-N 0 3 310.800 3.202 20 30 DGEDHN CCC(CC)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207374508 1091943970 /nfs/dbraw/zinc/94/39/70/1091943970.db2.gz RPIFDPPAGCNNPN-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCC[C@@H](C#N)CC1 ZINC001207376113 1091944414 /nfs/dbraw/zinc/94/44/14/1091944414.db2.gz UBFVMAIDVUFNTC-HUUCEWRRSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001085929296 1092019001 /nfs/dbraw/zinc/01/90/01/1092019001.db2.gz UABMDEDFUUZTBU-IBGZPJMESA-N 0 3 310.441 3.368 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc2ccc(F)cc12 ZINC001085948794 1092038401 /nfs/dbraw/zinc/03/84/01/1092038401.db2.gz PNUDAQJUZXGRBQ-AWEZNQCLSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1OCC ZINC001085954581 1092043929 /nfs/dbraw/zinc/04/39/29/1092043929.db2.gz DUTDVCJGCKEYSL-MRXNPFEDSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(OCC)cc1 ZINC001085953811 1092046008 /nfs/dbraw/zinc/04/60/08/1092046008.db2.gz LAROSVXEORCZBN-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001207634360 1092053251 /nfs/dbraw/zinc/05/32/51/1092053251.db2.gz BDRRSFAUMKUNQC-QGZVFWFLSA-N 0 3 315.461 3.252 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CCC2 ZINC001085960205 1092056711 /nfs/dbraw/zinc/05/67/11/1092056711.db2.gz XZFGBJBDBUQEON-OAHLLOKOSA-N 0 3 318.486 3.349 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207719028 1092080713 /nfs/dbraw/zinc/08/07/13/1092080713.db2.gz XUBRNMGISWNKDL-MJGOQNOKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2ccccc2C)C1 ZINC001316665031 1092086102 /nfs/dbraw/zinc/08/61/02/1092086102.db2.gz KQOYBHIFQYLASI-DOTOQJQBSA-N 0 3 320.864 3.165 20 30 DGEDHN N#Cc1ccccc1N1CCN(CC2(c3ccccc3)CC2)CC1 ZINC001207831490 1092111773 /nfs/dbraw/zinc/11/17/73/1092111773.db2.gz QGAPEEVUXGIVNA-UHFFFAOYSA-N 0 3 317.436 3.412 20 30 DGEDHN N#Cc1cccc(N2CCN(CC3(c4ccccc4)CC3)CC2)c1 ZINC001207839159 1092113883 /nfs/dbraw/zinc/11/38/83/1092113883.db2.gz HVQDBZIZOUAYBY-UHFFFAOYSA-N 0 3 317.436 3.412 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001086118614 1092135521 /nfs/dbraw/zinc/13/55/21/1092135521.db2.gz HLKYBTSDKSACHT-HRCADAONSA-N 0 3 310.869 3.360 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001207909017 1092136980 /nfs/dbraw/zinc/13/69/80/1092136980.db2.gz MKKHJRGLMBWSCW-CVEARBPZSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001086174775 1092152769 /nfs/dbraw/zinc/15/27/69/1092152769.db2.gz SLKDCAFAAIJYOI-GASCZTMLSA-N 0 3 323.868 3.228 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001086237799 1092174421 /nfs/dbraw/zinc/17/44/21/1092174421.db2.gz RKOSMBPCDVXMNJ-CAOSSQGBSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001086259786 1092183883 /nfs/dbraw/zinc/18/38/83/1092183883.db2.gz RYWMENBRRXNACW-VDISTLRHSA-N 0 3 313.228 3.191 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001086276080 1092188561 /nfs/dbraw/zinc/18/85/61/1092188561.db2.gz BALOHBRUVVNZLQ-GJUQIXGGSA-N 0 3 310.869 3.194 20 30 DGEDHN CCCCCCC/C=C/CN1CC[C@H]2O[C@@H](C(=O)N(C)C)C[C@H]21 ZINC001208120191 1092204232 /nfs/dbraw/zinc/20/42/32/1092204232.db2.gz NFCROBYUALFSRK-YLDLBQQMSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001086463444 1092261883 /nfs/dbraw/zinc/26/18/83/1092261883.db2.gz IZJGWRDGUKGPJY-NNUKFRKNSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](NC[C@H](F)CC)C1 ZINC001208202560 1092264140 /nfs/dbraw/zinc/26/41/40/1092264140.db2.gz HVRIRQFCLMINLA-CHWSQXEVSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001086477462 1092267285 /nfs/dbraw/zinc/26/72/85/1092267285.db2.gz IHQVLYOVRMRZFM-MQMHXKEQSA-N 0 3 321.852 3.133 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001086475802 1092267431 /nfs/dbraw/zinc/26/74/31/1092267431.db2.gz LCIGCUADOBZTJT-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001208231844 1092283061 /nfs/dbraw/zinc/28/30/61/1092283061.db2.gz WINLHMONPJWNCQ-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001208239474 1092287273 /nfs/dbraw/zinc/28/72/73/1092287273.db2.gz AWSWEZZGMWLBQH-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001273437460 1092295539 /nfs/dbraw/zinc/29/55/39/1092295539.db2.gz ONXFXHBHENXDKI-HZPDHXFCSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001208309232 1092306875 /nfs/dbraw/zinc/30/68/75/1092306875.db2.gz FCDHTGNMJTUMEK-SJLPKXTDSA-N 0 3 314.473 3.452 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001208309130 1092308136 /nfs/dbraw/zinc/30/81/36/1092308136.db2.gz CFPHBRPBLRFMBA-RHSMWYFYSA-N 0 3 318.436 3.305 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC001491959618 1092325740 /nfs/dbraw/zinc/32/57/40/1092325740.db2.gz NPIMABWGURAYQL-INIZCTEOSA-N 0 3 320.383 3.184 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320294 1092329942 /nfs/dbraw/zinc/32/99/42/1092329942.db2.gz AQPYNXBJHVUIBY-VQIMIIECSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001208390768 1092337930 /nfs/dbraw/zinc/33/79/30/1092337930.db2.gz CPCBEWBCWWPRPD-KZNAEPCWSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001208390769 1092339743 /nfs/dbraw/zinc/33/97/43/1092339743.db2.gz CPCBEWBCWWPRPD-RCCFBDPRSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc(C(F)F)ccc1F ZINC001492258020 1092459664 /nfs/dbraw/zinc/45/96/64/1092459664.db2.gz YDXROHJLOMNDOT-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](CNCc1cc2ccccc2o1)C1CC1 ZINC001276583882 1092474017 /nfs/dbraw/zinc/47/40/17/1092474017.db2.gz JRNKERYMKIYZQJ-SFHVURJKSA-N 0 3 324.424 3.077 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CCCCC(C)(C)C)C(C)(C)C1 ZINC001276586278 1092498437 /nfs/dbraw/zinc/49/84/37/1092498437.db2.gz GGHQIAAGDQNFEG-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(CCCc2ccc(F)cc2)C1 ZINC001208772081 1092499135 /nfs/dbraw/zinc/49/91/35/1092499135.db2.gz PGGBINAMCXMTTN-KRWDZBQOSA-N 0 3 320.408 3.135 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)CCc1ccc(F)c(F)c1 ZINC001492435129 1092507483 /nfs/dbraw/zinc/50/74/83/1092507483.db2.gz MVYANQAOCPWSRU-UHFFFAOYSA-N 0 3 324.415 3.158 20 30 DGEDHN CC(=O)Nc1cccc([C@H](C)NCc2cccc(OCC#N)c2)c1 ZINC000124110856 1092530197 /nfs/dbraw/zinc/53/01/97/1092530197.db2.gz PGISPLFNOBPSOE-AWEZNQCLSA-N 0 3 323.396 3.398 20 30 DGEDHN C#CCN1CCN(CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001208839620 1092537235 /nfs/dbraw/zinc/53/72/35/1092537235.db2.gz ZINQUBFZXKTGFR-UHFFFAOYSA-N 0 3 311.256 3.177 20 30 DGEDHN N#Cc1cccc(CCCN2CCN(c3cccc(O)c3)CC2)c1 ZINC001208850852 1092542708 /nfs/dbraw/zinc/54/27/08/1092542708.db2.gz LFGNBVAWDLLKAJ-UHFFFAOYSA-N 0 3 321.424 3.019 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc2ccccc2c1 ZINC001142760565 1092544745 /nfs/dbraw/zinc/54/47/45/1092544745.db2.gz AMFQFAZDJBSKEC-IBGZPJMESA-N 0 3 308.425 3.149 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3csc(Cl)c3)C2)C1=O ZINC001142761672 1092545997 /nfs/dbraw/zinc/54/59/97/1092545997.db2.gz AKWPKRNKRVMKSH-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN CCOC(=O)c1ccc(CCCN2CCC(C#N)CC2)cc1 ZINC001208863416 1092551957 /nfs/dbraw/zinc/55/19/57/1092551957.db2.gz DNOKMHKJKSCIGU-UHFFFAOYSA-N 0 3 300.402 3.031 20 30 DGEDHN N#Cc1ccc2c(CN3CCC4(C[C@@H]4CCO)CC3)c[nH]c2c1 ZINC001142916492 1092585532 /nfs/dbraw/zinc/58/55/32/1092585532.db2.gz TZPPUWAPRBBBCU-INIZCTEOSA-N 0 3 309.413 3.024 20 30 DGEDHN Cc1ccccc1N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001208920802 1092588588 /nfs/dbraw/zinc/58/85/88/1092588588.db2.gz PNAXKDFMPRXMKC-UHFFFAOYSA-N 0 3 305.425 3.231 20 30 DGEDHN C[C@H](N)c1ccn(-c2c(C#N)c(Cl)nc3cccc(F)c32)n1 ZINC001169231795 1092603669 /nfs/dbraw/zinc/60/36/69/1092603669.db2.gz SPLPSADEYPEOLJ-QMMMGPOBSA-N 0 3 315.739 3.104 20 30 DGEDHN COC(=O)c1ccc2[nH]cc(CN3CCC[C@H](CC#N)C3)c2c1 ZINC001143237603 1092639837 /nfs/dbraw/zinc/63/98/37/1092639837.db2.gz QGGWQMPIVWPPKM-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN CCC(CC)CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001169370318 1092656594 /nfs/dbraw/zinc/65/65/94/1092656594.db2.gz GJQANMWPJYZZOK-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C[C@](C#N)(Nc1cnc2c(c1)CNCC2)c1ccccc1Cl ZINC001169388077 1092671585 /nfs/dbraw/zinc/67/15/85/1092671585.db2.gz COKRHPGMNHASMU-QGZVFWFLSA-N 0 3 312.804 3.232 20 30 DGEDHN C=CCCCCN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001209201112 1092691126 /nfs/dbraw/zinc/69/11/26/1092691126.db2.gz URSDQPIFQHQGCM-IPMKNSEASA-N 0 3 316.445 3.186 20 30 DGEDHN C=CCCCCN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001209203694 1092693404 /nfs/dbraw/zinc/69/34/04/1092693404.db2.gz TZVSGXDLTICAFV-UHFFFAOYSA-N 0 3 303.450 3.061 20 30 DGEDHN C=CCCCCN1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001209202679 1092693900 /nfs/dbraw/zinc/69/39/00/1092693900.db2.gz HNBFNLBHUMNQAK-INIZCTEOSA-N 0 3 304.482 3.456 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC001209224554 1092702614 /nfs/dbraw/zinc/70/26/14/1092702614.db2.gz BVUFPDFGYPYKAE-BHIYHBOVSA-N 0 3 314.473 3.186 20 30 DGEDHN C#CCCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001209268532 1092720148 /nfs/dbraw/zinc/72/01/48/1092720148.db2.gz KSTXQRZBTMPUFG-UHFFFAOYSA-N 0 3 312.335 3.121 20 30 DGEDHN C#CCCCN1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001209266079 1092720411 /nfs/dbraw/zinc/72/04/11/1092720411.db2.gz PLELSSDERHESQG-UHFFFAOYSA-N 0 3 305.381 3.407 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCCN(CCOc3ccccc3)C2)cc1 ZINC001209300576 1092729707 /nfs/dbraw/zinc/72/97/07/1092729707.db2.gz YWTNDGQNRCDCBH-HXUWFJFHSA-N 0 3 322.408 3.480 20 30 DGEDHN C=CCN(C)C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001209318282 1092732116 /nfs/dbraw/zinc/73/21/16/1092732116.db2.gz NGXYJEWOLMRVKG-KRWDZBQOSA-N 0 3 316.445 3.466 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001209334564 1092737637 /nfs/dbraw/zinc/73/76/37/1092737637.db2.gz FNQLMGQYBSCGCU-HNNXBMFYSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCCCCN1CCN(c2cccc3c2OCCO3)CC1 ZINC001209428205 1092771131 /nfs/dbraw/zinc/77/11/31/1092771131.db2.gz AXMXKLBRCQYBIS-UHFFFAOYSA-N 0 3 316.445 3.326 20 30 DGEDHN C=CCCCCCCCN1CC2(C1)CCOC[C@H]2C(=O)OC ZINC001209440778 1092774766 /nfs/dbraw/zinc/77/47/66/1092774766.db2.gz DAQMCPKRDOWVSY-INIZCTEOSA-N 0 3 309.450 3.025 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001150793614 1092826620 /nfs/dbraw/zinc/82/66/20/1092826620.db2.gz FHXPTPGNNWPCOG-MSOLQXFVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001150793619 1092827294 /nfs/dbraw/zinc/82/72/94/1092827294.db2.gz FHXPTPGNNWPCOG-ZWKOTPCHSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](CC)CCCC)CC1 ZINC001150965028 1092848203 /nfs/dbraw/zinc/84/82/03/1092848203.db2.gz PTBRBDVCIJAEQM-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C=C2CCCCC2)CC1 ZINC001151007402 1092852319 /nfs/dbraw/zinc/85/23/19/1092852319.db2.gz LQMPYQBZAYELIG-UHFFFAOYSA-N 0 3 320.477 3.050 20 30 DGEDHN Cc1cc(Nc2cccc3c2OCC[C@H]3N(C)C)cnc1C#N ZINC001210207160 1093077477 /nfs/dbraw/zinc/07/74/77/1093077477.db2.gz GEEVOFHVHVNRGO-QGZVFWFLSA-N 0 3 308.385 3.391 20 30 DGEDHN Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2C)cnc1C#N ZINC001210205206 1093078541 /nfs/dbraw/zinc/07/85/41/1093078541.db2.gz GZUMKUXTCJQLLT-UHFFFAOYSA-N 0 3 321.428 3.066 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCc2sccc2C)C1 ZINC001210643274 1093239454 /nfs/dbraw/zinc/23/94/54/1093239454.db2.gz XNRRYPYRQRIKAH-HUUCEWRRSA-N 0 3 306.475 3.002 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001211217771 1093424205 /nfs/dbraw/zinc/42/42/05/1093424205.db2.gz HHIVEDOTPKKDAK-KZNAEPCWSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001211436598 1093493757 /nfs/dbraw/zinc/49/37/57/1093493757.db2.gz QXZHPKHESAMOEW-UHFFFAOYSA-N 0 3 312.348 3.246 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cc(F)cc(OC)c2)no1 ZINC001211436744 1093494165 /nfs/dbraw/zinc/49/41/65/1093494165.db2.gz VQVFANHMAIKQQA-UHFFFAOYSA-N 0 3 317.364 3.383 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(F)c(C)n2)no1 ZINC001211436267 1093494690 /nfs/dbraw/zinc/49/46/90/1093494690.db2.gz HJMLMWUZZOPWBS-UHFFFAOYSA-N 0 3 302.353 3.078 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@H](OC)C1 ZINC001213285521 1093556333 /nfs/dbraw/zinc/55/63/33/1093556333.db2.gz UXQWJFOUTKJJOH-LMMKCTJWSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213497790 1093596244 /nfs/dbraw/zinc/59/62/44/1093596244.db2.gz GUJNACZCGLXZPC-CZDHMLMNSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001214302206 1093752584 /nfs/dbraw/zinc/75/25/84/1093752584.db2.gz WMTRPYQKHJRCHK-RHSMWYFYSA-N 0 3 312.413 3.336 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001214302211 1093752877 /nfs/dbraw/zinc/75/28/77/1093752877.db2.gz WSAVBBQMHMETSS-MLGOLLRUSA-N 0 3 324.827 3.382 20 30 DGEDHN C[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214409701 1093769815 /nfs/dbraw/zinc/76/98/15/1093769815.db2.gz ZVMPMHYHXRYOQD-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215298842 1093953038 /nfs/dbraw/zinc/95/30/38/1093953038.db2.gz JZPBSMRBLORZKQ-VXGBXAGGSA-N 0 3 319.276 3.344 20 30 DGEDHN CCCCC[C@@H](C)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001134824267 1094303610 /nfs/dbraw/zinc/30/36/10/1094303610.db2.gz NHCDLMUZSMORHZ-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001086731141 1094429243 /nfs/dbraw/zinc/42/92/43/1094429243.db2.gz YDDRYZGHZYBSMP-ZNMIVQPWSA-N 0 3 310.869 3.194 20 30 DGEDHN C=CCCC1(C(=O)N2CCC[C@H]([C@@H]3CCCN3CCF)C2)CC1 ZINC001120432161 1094430021 /nfs/dbraw/zinc/43/00/21/1094430021.db2.gz YTOQVISCPUAHMP-IRXDYDNUSA-N 0 3 322.468 3.405 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)C1(C)CCC1)NCc1ccccc1C#N ZINC001135208246 1094445367 /nfs/dbraw/zinc/44/53/67/1094445367.db2.gz QBWGWFUNRLVJPT-HUUCEWRRSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135236138 1094454939 /nfs/dbraw/zinc/45/49/39/1094454939.db2.gz QMXVPFRMAVUCSL-NEPJUHHUSA-N 0 3 309.479 3.037 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001135239666 1094456788 /nfs/dbraw/zinc/45/67/88/1094456788.db2.gz ZXVAKQFQIFFOGO-OFLZDLGMSA-N 0 3 319.276 3.372 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OCc1ccc(CCc2ccccc2)cc1 ZINC001217830413 1094501479 /nfs/dbraw/zinc/50/14/79/1094501479.db2.gz FYLAJVGYYDMMGE-PMACEKPBSA-N 0 3 306.409 3.100 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)/C=C(/C)CC)[C@H]2C1 ZINC001217825410 1094501573 /nfs/dbraw/zinc/50/15/73/1094501573.db2.gz BFJBLNSTGNXEKX-PEYJGKETSA-N 0 3 322.493 3.225 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OC(Cl)(Cl)c1c(F)cccc1Cl ZINC001217831145 1094502261 /nfs/dbraw/zinc/50/22/61/1094502261.db2.gz JLSBMBWLUFFKSO-XCBNKYQSSA-N 0 3 323.582 3.195 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OCCC(c1ccccc1)c1ccccc1 ZINC001217832771 1094503165 /nfs/dbraw/zinc/50/31/65/1094503165.db2.gz QDSVYRNDPLGTKZ-ICSRJNTNSA-N 0 3 306.409 3.337 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2ocnc2C)CC1 ZINC001135384110 1094508862 /nfs/dbraw/zinc/50/88/62/1094508862.db2.gz ZHMIFNUFEPTKNI-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2cc(C)no2)CC1 ZINC001135381832 1094510725 /nfs/dbraw/zinc/51/07/25/1094510725.db2.gz BDVZLALIRCXFNJ-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@H](C)NCc2cnc(C)o2)CC1 ZINC001135416916 1094528515 /nfs/dbraw/zinc/52/85/15/1094528515.db2.gz YAJLSRBYOWZKIF-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCC[C@H](C)CCC)[C@H]2C1 ZINC001218003708 1094553444 /nfs/dbraw/zinc/55/34/44/1094553444.db2.gz DBEVUAIOOMHHHG-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C/C=C(\C)C(=O)NC1CC2(CC(NCc3ccccc3C#N)C2)C1 ZINC001120915648 1094553825 /nfs/dbraw/zinc/55/38/25/1094553825.db2.gz ZWHNMHIXQQIART-LZWSPWQCSA-N 0 3 323.440 3.041 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135562461 1094578264 /nfs/dbraw/zinc/57/82/64/1094578264.db2.gz ZWLUKFMRINOEAC-STQMWFEESA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103344986 1094593130 /nfs/dbraw/zinc/59/31/30/1094593130.db2.gz XCLQTAJJMKEGEZ-IIAWOOMASA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)CC(F)F)C2 ZINC001121423463 1094683361 /nfs/dbraw/zinc/68/33/61/1094683361.db2.gz FKVOXCZSPPKMFU-WEKLGNRTSA-N 0 3 320.811 3.047 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2occc2Cl)C1 ZINC001086794306 1094688568 /nfs/dbraw/zinc/68/85/68/1094688568.db2.gz MVMIKNMOVVHWBK-WDEREUQCSA-N 0 3 317.216 3.174 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CC3(C)CC3)[C@H]2C1 ZINC001218312064 1094709193 /nfs/dbraw/zinc/70/91/93/1094709193.db2.gz BEAPMTLOYSLJAV-DLBZAZTESA-N 0 3 322.493 3.059 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121569494 1094714996 /nfs/dbraw/zinc/71/49/96/1094714996.db2.gz GZPFVKQTVGUHNN-XGICHPGQSA-N 0 3 308.853 3.278 20 30 DGEDHN C=CCC[C@@H](CC)Oc1nc2onc(C)c2c2c1CNCC2 ZINC001218437273 1094773090 /nfs/dbraw/zinc/77/30/90/1094773090.db2.gz YWJNETRFKTZMJO-GFCCVEGCSA-N 0 3 301.390 3.301 20 30 DGEDHN Fc1cc(O[C@H]2CNCCC2(F)F)cc(F)c1C(F)(F)F ZINC001218449509 1094781294 /nfs/dbraw/zinc/78/12/94/1094781294.db2.gz TXGWNDNBSMSILR-VIFPVBQESA-N 0 3 317.204 3.360 20 30 DGEDHN N#Cc1nc2ccc(O[C@@H]3CNCc4ccccc43)cc2s1 ZINC001218487851 1094815538 /nfs/dbraw/zinc/81/55/38/1094815538.db2.gz WNLPCSKRFPLPPI-OAHLLOKOSA-N 0 3 307.378 3.391 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2CN(CCCCCC)C[C@@H]21 ZINC001218522611 1094828976 /nfs/dbraw/zinc/82/89/76/1094828976.db2.gz CLSISBUUGAPKPE-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cnc(OCC)c(F)c1 ZINC001218600758 1094839746 /nfs/dbraw/zinc/83/97/46/1094839746.db2.gz RQLBYFWIACIKGB-AWEZNQCLSA-N 0 3 309.385 3.022 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1csc(C)c1C(=O)OC ZINC001218668211 1094850759 /nfs/dbraw/zinc/85/07/59/1094850759.db2.gz XKICMGKDNNJKSU-LBPRGKRZSA-N 0 3 324.446 3.245 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@H](C)CCCCC)[C@H]2C1 ZINC001218738153 1094859597 /nfs/dbraw/zinc/85/95/97/1094859597.db2.gz WJOBFKRNWPSKFZ-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(F)c1)C2 ZINC001111648898 1094939654 /nfs/dbraw/zinc/93/96/54/1094939654.db2.gz UEUBKTWGKFSNFV-LPHOPBHVSA-N 0 3 316.420 3.263 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001122313411 1094950362 /nfs/dbraw/zinc/95/03/62/1094950362.db2.gz VHWURKPQOSDALH-REDNKSFVSA-N 0 3 304.821 3.161 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC[C@@H](C)CCC)C1 ZINC001111761685 1094959640 /nfs/dbraw/zinc/95/96/40/1094959640.db2.gz HAHFZODCUMLZTE-LNLFQRSKSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001122377086 1094962758 /nfs/dbraw/zinc/96/27/58/1094962758.db2.gz JBRHZPUYFJFUKD-AXAPSJFSSA-N 0 3 308.372 3.011 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CCC=CCCC1 ZINC001122448052 1094978049 /nfs/dbraw/zinc/97/80/49/1094978049.db2.gz JKQJGLSIROSDTD-DLBZAZTESA-N 0 3 310.397 3.148 20 30 DGEDHN CC(C)[C@H](N)C(=O)Nc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001219483174 1094982429 /nfs/dbraw/zinc/98/24/29/1094982429.db2.gz QLGVSBXCHALNII-HNNXBMFYSA-N 0 3 322.912 3.491 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001136492308 1095053054 /nfs/dbraw/zinc/05/30/54/1095053054.db2.gz XRSRROFLUCPRLQ-RCCFBDPRSA-N 0 3 324.509 3.353 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001136492305 1095053145 /nfs/dbraw/zinc/05/31/45/1095053145.db2.gz XRSRROFLUCPRLQ-BZSNNMDCSA-N 0 3 324.509 3.353 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001115111252 1095132915 /nfs/dbraw/zinc/13/29/15/1095132915.db2.gz MVBLQUQSKOLNKM-XSYGEPLQSA-N 0 3 312.457 3.049 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001171035031 1095163528 /nfs/dbraw/zinc/16/35/28/1095163528.db2.gz FUYGMCIZXXZUHQ-AWEZNQCLSA-N 0 3 309.479 3.264 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001123237236 1095196866 /nfs/dbraw/zinc/19/68/66/1095196866.db2.gz XRQDSRXUVSHHHF-IACUBPJLSA-N 0 3 315.323 3.161 20 30 DGEDHN C=C(Br)CNC1(CNC(=O)CCC)CCCCC1 ZINC001115381071 1095197385 /nfs/dbraw/zinc/19/73/85/1095197385.db2.gz BOOGPZAWBJGZMO-UHFFFAOYSA-N 0 3 317.271 3.104 20 30 DGEDHN CC(C)=CC(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115392501 1095204268 /nfs/dbraw/zinc/20/42/68/1095204268.db2.gz YUGGRNKJQCXCQK-UHFFFAOYSA-N 0 3 324.468 3.413 20 30 DGEDHN CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001221292869 1095235780 /nfs/dbraw/zinc/23/57/80/1095235780.db2.gz VGQAUIYMSVMJTL-ZHALLVOQSA-N 0 3 313.445 3.314 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3cncs3)[C@@H]2C1 ZINC001221325964 1095244421 /nfs/dbraw/zinc/24/44/21/1095244421.db2.gz FWMHUNIIUYAFBA-HUUCEWRRSA-N 0 3 319.474 3.036 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC001123337493 1095246215 /nfs/dbraw/zinc/24/62/15/1095246215.db2.gz RTWWEPZATGSURN-INIZCTEOSA-N 0 3 323.396 3.359 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCC[C@@H](C)CC)[C@@H]2C1 ZINC001221577706 1095303200 /nfs/dbraw/zinc/30/32/00/1095303200.db2.gz BUWJMCDNPOZWAD-RCCFBDPRSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221752484 1095344901 /nfs/dbraw/zinc/34/49/01/1095344901.db2.gz SGRVAVCHTDAXGO-DFQSSKMNSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2CC3(CC3)C2)CCCCC1 ZINC001115725226 1095358129 /nfs/dbraw/zinc/35/81/29/1095358129.db2.gz QKRCQTGOAUYIBU-UHFFFAOYSA-N 0 3 310.869 3.338 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001221927080 1095391962 /nfs/dbraw/zinc/39/19/62/1095391962.db2.gz NBRYRDCWHOYHPX-CEXWTWQISA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@@H]2C(C)C)CCCCC1 ZINC001115797378 1095393214 /nfs/dbraw/zinc/39/32/14/1095393214.db2.gz BKQQWKZSKYPBFH-CABCVRRESA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3sccc3CC)[C@@H]2C1 ZINC001222040514 1095413896 /nfs/dbraw/zinc/41/38/96/1095413896.db2.gz FLGIXYYQDUZFHS-HZPDHXFCSA-N 0 3 318.486 3.423 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CC[C@H](C)F)C[C@H]32)CCCC1 ZINC001222150921 1095459505 /nfs/dbraw/zinc/45/95/05/1095459505.db2.gz AOWQSIRJVDDTRR-GVDBMIGSSA-N 0 3 322.468 3.404 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCC[C@H](NCCF)C1)c1ccccc1 ZINC001222156297 1095463399 /nfs/dbraw/zinc/46/33/99/1095463399.db2.gz DCJNGFJTRVIZPM-ROUUACIJSA-N 0 3 318.436 3.287 20 30 DGEDHN COc1ccccc1C1(NC[C@H](O)c2ccc(C#N)cc2)CCC1 ZINC001116470494 1095566845 /nfs/dbraw/zinc/56/68/45/1095566845.db2.gz OHODJZIYZMXXAC-SFHVURJKSA-N 0 3 322.408 3.269 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCc2ccncc2)C1 ZINC001116576119 1095605700 /nfs/dbraw/zinc/60/57/00/1095605700.db2.gz PQBZFEGSIXXGJT-LJQANCHMSA-N 0 3 324.424 3.438 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)NC1CC(C#N)(c2ccccc2)C1 ZINC001116721856 1095642187 /nfs/dbraw/zinc/64/21/87/1095642187.db2.gz UTLFISLWNJFCEI-ICXUMSERSA-N 0 3 314.429 3.320 20 30 DGEDHN C=CCCC(=O)NCC1CCN(Cc2c(C)nsc2C)CC1 ZINC001222579313 1095674948 /nfs/dbraw/zinc/67/49/48/1095674948.db2.gz RRBQHMNERFJBIC-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN COc1cc(Cl)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001144480787 1095679511 /nfs/dbraw/zinc/67/95/11/1095679511.db2.gz HNXZKSQMKHQOBU-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1nccn1CC(F)(F)F ZINC001171195319 1095690785 /nfs/dbraw/zinc/69/07/85/1095690785.db2.gz RIAYNPJNRRLEIR-LBPRGKRZSA-N 0 3 322.334 3.038 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3ncccc3C)C2)cc1 ZINC001144581499 1095717326 /nfs/dbraw/zinc/71/73/26/1095717326.db2.gz SUUSBWAKXORQST-LJQANCHMSA-N 0 3 306.409 3.415 20 30 DGEDHN COc1ccc2c(c1)c(CN)nn2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171201896 1095736604 /nfs/dbraw/zinc/73/66/04/1095736604.db2.gz SMRBASCVVLEDBX-ZDUSSCGKSA-N 0 3 320.396 3.179 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCC[C@H](C)CC)C[C@@H]21 ZINC001222762588 1095746581 /nfs/dbraw/zinc/74/65/81/1095746581.db2.gz CPUSUJZFCNEHNG-KURKYZTESA-N 0 3 304.478 3.149 20 30 DGEDHN Cc1nc([C@@H]2CCCN([C@@H](C)Cc3cccc(C#N)c3)C2)no1 ZINC001171208542 1095767039 /nfs/dbraw/zinc/76/70/39/1095767039.db2.gz DBROROLVGYWHDH-SUMWQHHRSA-N 0 3 310.401 3.060 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C)[C@H](c2ccccc2)C1 ZINC001171221204 1095812980 /nfs/dbraw/zinc/81/29/80/1095812980.db2.gz IVIZCKDJSQFMGG-UWJYYQICSA-N 0 3 319.452 3.478 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001091208207 1095816758 /nfs/dbraw/zinc/81/67/58/1095816758.db2.gz MZQPJCNTJLEBKZ-UHFFFAOYSA-N 0 3 320.864 3.490 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001340128929 1095875456 /nfs/dbraw/zinc/87/54/56/1095875456.db2.gz MWTXCDNLDPITQU-MEDUHNTESA-N 0 3 308.372 3.094 20 30 DGEDHN N#CC1(CNC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CCC1 ZINC001171234577 1095884602 /nfs/dbraw/zinc/88/46/02/1095884602.db2.gz UYAHNIZQGJEMNC-AYHJJNSGSA-N 0 3 323.440 3.106 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3c(s2)CCC3)C1 ZINC001091354588 1095913592 /nfs/dbraw/zinc/91/35/92/1095913592.db2.gz DLIAGKVMVCIYQU-UHFFFAOYSA-N 0 3 324.877 3.087 20 30 DGEDHN C=CCCC(C)(C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001223453188 1095973889 /nfs/dbraw/zinc/97/38/89/1095973889.db2.gz IOLDVLOYVMGMIT-QGZVFWFLSA-N 0 3 317.477 3.203 20 30 DGEDHN C#C[C@H]1CCCN(Cc2sc(N3CCCCC3)nc2C)C1 ZINC001118336085 1095985501 /nfs/dbraw/zinc/98/55/01/1095985501.db2.gz CKQASIYYCFNGSL-HNNXBMFYSA-N 0 3 303.475 3.287 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001340773730 1096027949 /nfs/dbraw/zinc/02/79/49/1096027949.db2.gz KAMUIIMCVMGELG-KRWDZBQOSA-N 0 3 301.434 3.299 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)(C)C)C[C@@H]21 ZINC001223894248 1096089879 /nfs/dbraw/zinc/08/98/79/1096089879.db2.gz ASYDFYPEEAVRNE-KURKYZTESA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@@H]21 ZINC001223921859 1096095169 /nfs/dbraw/zinc/09/51/69/1096095169.db2.gz CCPRLWDQPRQVRX-MJBXVCDLSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001224051167 1096123454 /nfs/dbraw/zinc/12/34/54/1096123454.db2.gz NBMRZJLEWUIMBK-UHFFFAOYSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCn1cc2ccc(NC(=O)[C@H](N)C3CCCCC3)cc2n1 ZINC001341387202 1096167553 /nfs/dbraw/zinc/16/75/53/1096167553.db2.gz WRPUZSAMZJJIDX-QGZVFWFLSA-N 0 3 312.417 3.068 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(Cc2scnc2C)CC1 ZINC001224273313 1096177420 /nfs/dbraw/zinc/17/74/20/1096177420.db2.gz WTZWFTVUPBXRCL-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccccc1Cl ZINC001276962972 1096185127 /nfs/dbraw/zinc/18/51/27/1096185127.db2.gz CPIKFAWSZQPAMA-OAHLLOKOSA-N 0 3 306.837 3.039 20 30 DGEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1ccc(C)o1 ZINC001119387809 1096185981 /nfs/dbraw/zinc/18/59/81/1096185981.db2.gz GTWDEKTVOUEFIW-CABCVRRESA-N 0 3 305.422 3.299 20 30 DGEDHN C#CCCOc1ccc(CN2CC(CC3CCOCC3)C2)cc1 ZINC001119450414 1096204844 /nfs/dbraw/zinc/20/48/44/1096204844.db2.gz HXBLVHHTDXMIPE-UHFFFAOYSA-N 0 3 313.441 3.337 20 30 DGEDHN N#Cc1ccc(CNC(=O)c2ccc(NC3=NCCC3)cc2)cc1 ZINC001147463342 1096224001 /nfs/dbraw/zinc/22/40/01/1096224001.db2.gz QQZFSCHPETXDDS-UHFFFAOYSA-N 0 3 318.380 3.092 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC001119606114 1096231399 /nfs/dbraw/zinc/23/13/99/1096231399.db2.gz JTEVOUMVYZYSLK-BOFPYLFWSA-N 0 3 324.403 3.188 20 30 DGEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC001119606116 1096231585 /nfs/dbraw/zinc/23/15/85/1096231585.db2.gz JTEVOUMVYZYSLK-IXDGSTSKSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001276981079 1096238406 /nfs/dbraw/zinc/23/84/06/1096238406.db2.gz ZHHIBCGEPAHCLX-CJNGLKHVSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H]1CCN1C(C)C)c1ccccc1 ZINC001276985762 1096248339 /nfs/dbraw/zinc/24/83/39/1096248339.db2.gz IYPLSBIRYSOFJP-MSOLQXFVSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(F)ccc(F)c2F)CC1 ZINC001161050882 1096260487 /nfs/dbraw/zinc/26/04/87/1096260487.db2.gz MFOKJTKRBFNBDQ-UHFFFAOYSA-N 0 3 324.346 3.042 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001148124562 1096317174 /nfs/dbraw/zinc/31/71/74/1096317174.db2.gz DZSNVCULUZLGAU-ZDUSSCGKSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC[C@@H](C)c3ccccc3)C2)C1 ZINC001148391999 1096358493 /nfs/dbraw/zinc/35/84/93/1096358493.db2.gz ZQPHZAZSBXKMLL-QGZVFWFLSA-N 0 3 312.457 3.291 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148371276 1096359024 /nfs/dbraw/zinc/35/90/24/1096359024.db2.gz LZINVGVIUUTUSN-UHFFFAOYSA-N 0 3 318.486 3.385 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H](CCC)c3ccccc3)C2)C1 ZINC001148714349 1096427511 /nfs/dbraw/zinc/42/75/11/1096427511.db2.gz LIYGFAVACSVBJP-GOSISDBHSA-N 0 3 312.457 3.291 20 30 DGEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@@H](C)C(F)(F)F ZINC001273446603 1096482414 /nfs/dbraw/zinc/48/24/14/1096482414.db2.gz QLFAXJMISSUWGV-HIFRSBDPSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001086853447 1096486508 /nfs/dbraw/zinc/48/65/08/1096486508.db2.gz AORQIVKDTHXWQB-UONOGXRCSA-N 0 3 324.852 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001086889215 1096492542 /nfs/dbraw/zinc/49/25/42/1096492542.db2.gz LAYMHCCNCHOZOM-UONOGXRCSA-N 0 3 324.827 3.375 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccccc3)C2)CC1 ZINC001086899564 1096499182 /nfs/dbraw/zinc/49/91/82/1096499182.db2.gz MJWFMBTXDDWQLZ-KRWDZBQOSA-N 0 3 310.441 3.027 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C3C=CC=CC=C3)C2)CC1 ZINC001086924455 1096510531 /nfs/dbraw/zinc/51/05/31/1096510531.db2.gz SWACWSHHGLARLW-GOSISDBHSA-N 0 3 324.468 3.011 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3CCC=CCC3)C2)CC1 ZINC001086957811 1096523097 /nfs/dbraw/zinc/52/30/97/1096523097.db2.gz WNUFWUWQHVSPSY-KRWDZBQOSA-N 0 3 314.473 3.069 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)c1ccccc1 ZINC001110136474 1096633309 /nfs/dbraw/zinc/63/33/09/1096633309.db2.gz DIOZIOQWIPIQBR-OWSLCNJRSA-N 0 3 316.420 3.037 20 30 DGEDHN COc1cccc(C#N)c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001226247127 1096645437 /nfs/dbraw/zinc/64/54/37/1096645437.db2.gz IYNPCCBMWCESQG-KRWDZBQOSA-N 0 3 308.381 3.220 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001226474605 1096699195 /nfs/dbraw/zinc/69/91/95/1096699195.db2.gz QJFPEMUVEKEDKK-IAGOWNOFSA-N 0 3 315.461 3.201 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)CC(F)F ZINC001226730854 1096762516 /nfs/dbraw/zinc/76/25/16/1096762516.db2.gz PJUHQENFRWKAAO-JHJVBQTASA-N 0 3 322.827 3.437 20 30 DGEDHN CCCC(C)(C)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001277158363 1096788688 /nfs/dbraw/zinc/78/86/88/1096788688.db2.gz RHLMRMJQDYOMBE-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCCCCCN1CC2(C1)SCC[C@@H]2C(=O)N(C)C ZINC001277159642 1096791778 /nfs/dbraw/zinc/79/17/78/1096791778.db2.gz LKAXDZAPWJJRAT-OAHLLOKOSA-N 0 3 310.507 3.019 20 30 DGEDHN C=CCCCCCCCN1CC[C@H]2C[C@]21C(=O)N(C)CCOC ZINC001277169461 1096828756 /nfs/dbraw/zinc/82/87/56/1096828756.db2.gz CHIAMEZJDMKWKJ-PKOBYXMFSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001227107649 1096870278 /nfs/dbraw/zinc/87/02/78/1096870278.db2.gz GRFHPHBXQDCKRF-UHFFFAOYSA-N 0 3 324.468 3.448 20 30 DGEDHN C#CCCCC(=O)NC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC001227108428 1096870812 /nfs/dbraw/zinc/87/08/12/1096870812.db2.gz QFVLTOGSZVSTIC-OAHLLOKOSA-N 0 3 316.420 3.271 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC001171488967 1096896162 /nfs/dbraw/zinc/89/61/62/1096896162.db2.gz BGXLBYBXUGFDRS-DYESRHJHSA-N 0 3 324.468 3.298 20 30 DGEDHN C#CC[C@H]1CCCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC001171491791 1096897278 /nfs/dbraw/zinc/89/72/78/1096897278.db2.gz ZHQBOFNTMBKLRP-HKUYNNGSSA-N 0 3 310.441 3.226 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC001171491794 1096897543 /nfs/dbraw/zinc/89/75/43/1096897543.db2.gz ZHQBOFNTMBKLRP-MJGOQNOKSA-N 0 3 310.441 3.226 20 30 DGEDHN CN(CCC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001171523464 1096917523 /nfs/dbraw/zinc/91/75/23/1096917523.db2.gz PCXHIYIOJHSMCG-KRWDZBQOSA-N 0 3 313.445 3.422 20 30 DGEDHN CC[C@H](C)CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001277201793 1096919421 /nfs/dbraw/zinc/91/94/21/1096919421.db2.gz AFYUVZNFTBIARW-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN CCC#C[C@@H](C)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC001171606837 1096933835 /nfs/dbraw/zinc/93/38/35/1096933835.db2.gz DGHUGRVEJNFSQJ-XOKHGSTOSA-N 0 3 319.832 3.330 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001277245491 1096998361 /nfs/dbraw/zinc/99/83/61/1096998361.db2.gz BCZUBBPLGPXIPX-MGPQQGTHSA-N 0 3 300.874 3.296 20 30 DGEDHN CCCCCCCCN1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277232381 1096970796 /nfs/dbraw/zinc/97/07/96/1096970796.db2.gz ZCPHSZDGOAZOMY-QGZVFWFLSA-N 0 3 317.477 3.041 20 30 DGEDHN Cc1nc(O[C@H]2CCCN(C(C)C)C2)c(C#N)c(C)c1Cl ZINC001227826054 1096995742 /nfs/dbraw/zinc/99/57/42/1096995742.db2.gz JBXCOKLEDJNGDJ-ZDUSSCGKSA-N 0 3 307.825 3.475 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001277245490 1096998203 /nfs/dbraw/zinc/99/82/03/1096998203.db2.gz BCZUBBPLGPXIPX-BFHYXJOUSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C1CCC(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC001227883837 1097005834 /nfs/dbraw/zinc/00/58/34/1097005834.db2.gz VTQKALFFDVHOJM-KRWDZBQOSA-N 0 3 305.466 3.049 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001228129336 1097057642 /nfs/dbraw/zinc/05/76/42/1097057642.db2.gz AYUUCLHKHNJQRC-DJIMGWMZSA-N 0 3 319.449 3.102 20 30 DGEDHN Cc1cccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)n1 ZINC001172307884 1097096161 /nfs/dbraw/zinc/09/61/61/1097096161.db2.gz HIQAJDCSTUEODZ-KRWDZBQOSA-N 0 3 320.440 3.015 20 30 DGEDHN Cc1cccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)n1 ZINC001172307885 1097096253 /nfs/dbraw/zinc/09/62/53/1097096253.db2.gz HIQAJDCSTUEODZ-QGZVFWFLSA-N 0 3 320.440 3.015 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2cccc(F)c2)CC1 ZINC001172312714 1097098486 /nfs/dbraw/zinc/09/84/86/1097098486.db2.gz IQVWTFWDVANAEM-INIZCTEOSA-N 0 3 323.415 3.451 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2ccccn2c1 ZINC001277313269 1097152249 /nfs/dbraw/zinc/15/22/49/1097152249.db2.gz FRJNGCJLSLDRGS-CQSZACIVSA-N 0 3 319.836 3.180 20 30 DGEDHN CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)CCCC#N ZINC001172498514 1097171252 /nfs/dbraw/zinc/17/12/52/1097171252.db2.gz NSRVYGIAQUZWIN-CABCVRRESA-N 0 3 309.454 3.400 20 30 DGEDHN C[C@@H](CCCC#N)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001172499993 1097172068 /nfs/dbraw/zinc/17/20/68/1097172068.db2.gz IBYHJSBKTIDEJH-INIZCTEOSA-N 0 3 308.429 3.439 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228801582 1097193803 /nfs/dbraw/zinc/19/38/03/1097193803.db2.gz SWMVHGRBRIFSHZ-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@H](Cc1c(F)cccc1Cl)NC(=N)c1ccc(F)cn1 ZINC001172847105 1097260704 /nfs/dbraw/zinc/26/07/04/1097260704.db2.gz ZZKXICLLTKOKQY-SECBINFHSA-N 0 3 309.747 3.350 20 30 DGEDHN CN(C)CCC(=O)c1ccc(O[C@@H](C#N)c2ccccc2)cc1 ZINC001229307160 1097293321 /nfs/dbraw/zinc/29/33/21/1097293321.db2.gz TWUWUESNHKLVIS-IBGZPJMESA-N 0 3 308.381 3.465 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001203342289 1097297113 /nfs/dbraw/zinc/29/71/13/1097297113.db2.gz ZGHIYPYAVXZRHM-HUUCEWRRSA-N 0 3 319.474 3.016 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCCCC23CC3)C[C@H]1C#N ZINC001172991861 1097308633 /nfs/dbraw/zinc/30/86/33/1097308633.db2.gz MQOYIMFEIYRKBO-GJZGRUSLSA-N 0 3 319.449 3.297 20 30 DGEDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC#CC(C)(C)C)c1F ZINC001173185006 1097356986 /nfs/dbraw/zinc/35/69/86/1097356986.db2.gz UFSOGJBVSXERFM-LBPRGKRZSA-N 0 3 322.380 3.313 20 30 DGEDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc(C#N)ccc2C1 ZINC001173221797 1097372055 /nfs/dbraw/zinc/37/20/55/1097372055.db2.gz MJNUMGCZPXJUBJ-CQSZACIVSA-N 0 3 321.380 3.456 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC/C=C\CC ZINC001277425787 1097401179 /nfs/dbraw/zinc/40/11/79/1097401179.db2.gz NPNBGQLYYQGPJJ-ITQAEIPNSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(N(C)Cc2conc2C)CC1 ZINC001277429610 1097408766 /nfs/dbraw/zinc/40/87/66/1097408766.db2.gz OTQPNQMPTGLWIU-UHFFFAOYSA-N 0 3 319.449 3.008 20 30 DGEDHN C=CCOC1CCC(N2CCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001173327551 1097418379 /nfs/dbraw/zinc/41/83/79/1097418379.db2.gz OFUIFNINJBNPKV-GPANFISMSA-N 0 3 309.450 3.306 20 30 DGEDHN N#CCC1CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC001173334391 1097420539 /nfs/dbraw/zinc/42/05/39/1097420539.db2.gz WAZMJKVFLSWKTH-UHFFFAOYSA-N 0 3 300.328 3.007 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001230006701 1097427080 /nfs/dbraw/zinc/42/70/80/1097427080.db2.gz MXPKIYMBOUUMJG-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC001230175899 1097454478 /nfs/dbraw/zinc/45/44/78/1097454478.db2.gz NOPDPEDGMKEQGZ-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(C)o1 ZINC001230251935 1097464697 /nfs/dbraw/zinc/46/46/97/1097464697.db2.gz RELVCALRZPCWAJ-HZPDHXFCSA-N 0 3 324.852 3.290 20 30 DGEDHN CC1(C#N)CCC(N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001173599392 1097469282 /nfs/dbraw/zinc/46/92/82/1097469282.db2.gz KWZKANLGIGJSFO-UHFFFAOYSA-N 0 3 302.340 3.302 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759759 1097576447 /nfs/dbraw/zinc/57/64/47/1097576447.db2.gz WLPAYFMIBJWWLR-STQMWFEESA-N 0 3 310.825 3.434 20 30 DGEDHN C=C(C)CCC(=O)NCCCN(CC(=C)C)Cc1cccnc1 ZINC001230771679 1097579451 /nfs/dbraw/zinc/57/94/51/1097579451.db2.gz PCOGVAMJDORDIW-UHFFFAOYSA-N 0 3 315.461 3.322 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230837670 1097602767 /nfs/dbraw/zinc/60/27/67/1097602767.db2.gz DDTOEWWXGSHYCC-GOSISDBHSA-N 0 3 303.450 3.012 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001277473220 1097629679 /nfs/dbraw/zinc/62/96/79/1097629679.db2.gz BEVGJVCKEIZRBE-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC(F)(F)F ZINC001231034863 1097651939 /nfs/dbraw/zinc/65/19/39/1097651939.db2.gz KRBORGBBPJQLSR-ZDUSSCGKSA-N 0 3 306.372 3.218 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231095016 1097667553 /nfs/dbraw/zinc/66/75/53/1097667553.db2.gz MCSXRNZQXAQYBR-ROUUACIJSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCCCOC ZINC001231123932 1097675317 /nfs/dbraw/zinc/67/53/17/1097675317.db2.gz XXNRZXBYYBGSAO-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCc1cccc(F)c1 ZINC001231170577 1097687033 /nfs/dbraw/zinc/68/70/33/1097687033.db2.gz QZOLUDRWZNURKK-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1Cc1cccc2ccccc21 ZINC001231246674 1097701258 /nfs/dbraw/zinc/70/12/58/1097701258.db2.gz HORJQJTZXMXYQJ-YJBOKZPZSA-N 0 3 321.424 3.032 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231255256 1097704823 /nfs/dbraw/zinc/70/48/23/1097704823.db2.gz LAPVRRAAZRGMTE-CVEARBPZSA-N 0 3 314.539 3.489 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1 ZINC001231262749 1097706808 /nfs/dbraw/zinc/70/68/08/1097706808.db2.gz HWSSXVVMUDJNBG-QGZVFWFLSA-N 0 3 320.481 3.020 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001231412570 1097742970 /nfs/dbraw/zinc/74/29/70/1097742970.db2.gz FNVQWPOUKLHCLZ-GDBMZVCRSA-N 0 3 304.434 3.397 20 30 DGEDHN Cc1cnccc1Nc1cc(Br)cc(F)c1C#N ZINC001174538887 1097749012 /nfs/dbraw/zinc/74/90/12/1097749012.db2.gz RFMNNNQNICWRMV-UHFFFAOYSA-N 0 3 306.138 3.329 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC(=O)C(C)C)c(OC)c2)C1 ZINC001231531475 1097775024 /nfs/dbraw/zinc/77/50/24/1097775024.db2.gz RBWJCXFUNFXQDD-OAHLLOKOSA-N 0 3 315.413 3.102 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](C(=O)OCC)[C@H]2C)c1 ZINC001231624060 1097794516 /nfs/dbraw/zinc/79/45/16/1097794516.db2.gz FHLKKMDWYAQMLK-QAPCUYQASA-N 0 3 317.429 3.415 20 30 DGEDHN C#Cc1cccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001231660330 1097805985 /nfs/dbraw/zinc/80/59/85/1097805985.db2.gz CLIMIIHGWFNNHH-SFHVURJKSA-N 0 3 304.437 3.374 20 30 DGEDHN C#Cc1cccc(CN2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC001231659161 1097806928 /nfs/dbraw/zinc/80/69/28/1097806928.db2.gz IAWCKTZCRMYHIW-GOSISDBHSA-N 0 3 304.437 3.374 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2ccc(OC)cc2c1 ZINC001174868445 1097873071 /nfs/dbraw/zinc/87/30/71/1097873071.db2.gz YULIHBWNQAXLAR-SFHVURJKSA-N 0 3 324.424 3.229 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001174978784 1097896492 /nfs/dbraw/zinc/89/64/92/1097896492.db2.gz PZNGNBZBJGNDPK-CQSZACIVSA-N 0 3 307.438 3.104 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001175083117 1097942101 /nfs/dbraw/zinc/94/21/01/1097942101.db2.gz VLMWXWZTIAESLO-RDTXWAMCSA-N 0 3 321.465 3.350 20 30 DGEDHN CN(C)Cc1cc(F)cc(CN2CCc3ccc(C#N)cc3C2)c1 ZINC001232144975 1097950485 /nfs/dbraw/zinc/95/04/85/1097950485.db2.gz QGFYAHLAUYUNPK-UHFFFAOYSA-N 0 3 323.415 3.317 20 30 DGEDHN CN(C(=O)CC1CCC1)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001277629799 1097966403 /nfs/dbraw/zinc/96/64/03/1097966403.db2.gz QARJCDFOMCADRB-FQEVSTJZSA-N 0 3 324.468 3.055 20 30 DGEDHN CCCCCCCCCCN1CCN(c2nnc(C)n2C)CC1 ZINC001175210788 1097973837 /nfs/dbraw/zinc/97/38/37/1097973837.db2.gz FTHZVKDZQUEGHW-UHFFFAOYSA-N 0 3 321.513 3.386 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H](C)C1CCCCC1 ZINC001175229411 1097980823 /nfs/dbraw/zinc/98/08/23/1097980823.db2.gz NZFIXNVKNAYRCA-JKSUJKDBSA-N 0 3 307.482 3.143 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c(C)cccc1F)C2 ZINC001232487243 1098057252 /nfs/dbraw/zinc/05/72/52/1098057252.db2.gz NTFBSASRPSQFTI-QFBILLFUSA-N 0 3 319.420 3.460 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1csc2c1CCCC2 ZINC001175541256 1098087075 /nfs/dbraw/zinc/08/70/75/1098087075.db2.gz CWVVVSFJWMDFTC-UHFFFAOYSA-N 0 3 312.866 3.089 20 30 DGEDHN N#Cc1ccc([O-])c(CN2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232679742 1098113164 /nfs/dbraw/zinc/11/31/64/1098113164.db2.gz RIBGEKBVHGAVBT-SFHVURJKSA-N 0 3 313.445 3.104 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)n(C(C)C)c1C ZINC001175680916 1098136142 /nfs/dbraw/zinc/13/61/42/1098136142.db2.gz NLPVIDJNYQUSSE-UHFFFAOYSA-N 0 3 311.857 3.148 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(F)c(F)c3Cl)CCC2S1 ZINC001232876774 1098159417 /nfs/dbraw/zinc/15/94/17/1098159417.db2.gz ZGPOYTHPUGBBEC-NSHDSACASA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)cc(O)c1)C2 ZINC001232881888 1098160854 /nfs/dbraw/zinc/16/08/54/1098160854.db2.gz QGJBMPLJYFYAAI-RTBURBONSA-N 0 3 317.429 3.027 20 30 DGEDHN Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c(C#N)c1 ZINC001232969506 1098188742 /nfs/dbraw/zinc/18/87/42/1098188742.db2.gz RAFBQGSIASRJCR-BGYRXZFFSA-N 0 3 317.436 3.435 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc(CC)cc1 ZINC001175904460 1098203717 /nfs/dbraw/zinc/20/37/17/1098203717.db2.gz MWVPAFMZZLWRAV-UHFFFAOYSA-N 0 3 308.853 3.030 20 30 DGEDHN C#Cc1cccc(Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC001175975428 1098216906 /nfs/dbraw/zinc/21/69/06/1098216906.db2.gz MYDKHDYDDJJTLM-UHFFFAOYSA-N 0 3 305.425 3.472 20 30 DGEDHN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC001233084021 1098223598 /nfs/dbraw/zinc/22/35/98/1098223598.db2.gz LUZZMYPQYUATBD-QGZVFWFLSA-N 0 3 300.402 3.032 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)c(O)c1)C2 ZINC001233232496 1098258326 /nfs/dbraw/zinc/25/83/26/1098258326.db2.gz HCVSUKQJBAJZDB-MJGOQNOKSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cc(C)ns1)C2 ZINC001233310606 1098281767 /nfs/dbraw/zinc/28/17/67/1098281767.db2.gz NZGXYSYIZNZYFZ-IRXDYDNUSA-N 0 3 322.474 3.025 20 30 DGEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2cc(F)cc(F)c2)C1 ZINC001233406013 1098318558 /nfs/dbraw/zinc/31/85/58/1098318558.db2.gz WZRYOEVLYMCWBQ-LBPRGKRZSA-N 0 3 301.340 3.200 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233695931 1098410425 /nfs/dbraw/zinc/41/04/25/1098410425.db2.gz URAYCFVOIRFARK-MSOLQXFVSA-N 0 3 317.477 3.328 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cccnc1 ZINC001233717276 1098415215 /nfs/dbraw/zinc/41/52/15/1098415215.db2.gz YYFHMMQAHOHCCT-SFHVURJKSA-N 0 3 317.477 3.127 20 30 DGEDHN CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001277804376 1098421100 /nfs/dbraw/zinc/42/11/00/1098421100.db2.gz JPJZANICRJUPNY-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)COC(C)(C)C ZINC001233779630 1098429959 /nfs/dbraw/zinc/42/99/59/1098429959.db2.gz GFCVDEPVRRVLDF-MRXNPFEDSA-N 0 3 312.498 3.305 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCOCC1 ZINC001233926585 1098459563 /nfs/dbraw/zinc/45/95/63/1098459563.db2.gz OZMJYQIUPGZXGQ-MSOLQXFVSA-N 0 3 322.493 3.082 20 30 DGEDHN CC(C)(C)[C@H]1CCN(CCOc2ccccc2C#N)CCO1 ZINC001176990534 1098461053 /nfs/dbraw/zinc/46/10/53/1098461053.db2.gz JFDQRBNZBHAHNN-QGZVFWFLSA-N 0 3 302.418 3.074 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C1CC1 ZINC001233946385 1098463656 /nfs/dbraw/zinc/46/36/56/1098463656.db2.gz AKMUWVVEBDCNKM-IBGZPJMESA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C\c1ccccc1 ZINC001233947311 1098464802 /nfs/dbraw/zinc/46/48/02/1098464802.db2.gz KCXUEXOVWWWLAF-CXOXVUTBSA-N 0 3 324.468 3.426 20 30 DGEDHN CCN1CC[C@@H](Oc2c(C)cc(Br)cc2C#N)C1 ZINC001234009439 1098476360 /nfs/dbraw/zinc/47/63/60/1098476360.db2.gz ADHSFUCCIQUKFC-CYBMUJFWSA-N 0 3 309.207 3.102 20 30 DGEDHN Cc1cc(Br)cc(C#N)c1O[C@H]1CCCN(C)C1 ZINC001234011521 1098476834 /nfs/dbraw/zinc/47/68/34/1098476834.db2.gz YJYUJWFHGFCZFG-ZDUSSCGKSA-N 0 3 309.207 3.102 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)C(F)F ZINC001177170456 1098480532 /nfs/dbraw/zinc/48/05/32/1098480532.db2.gz VFHLKBKHBAFMSV-UHFFFAOYSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)CSC ZINC001177207775 1098490593 /nfs/dbraw/zinc/49/05/93/1098490593.db2.gz NTZNVEVKNBBKQJ-UHFFFAOYSA-N 0 3 318.914 3.100 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CC/C=C/c1ccccc1 ZINC001234159874 1098507714 /nfs/dbraw/zinc/50/77/14/1098507714.db2.gz CHJQPUJUSXCAHH-OEMHODTASA-N 0 3 324.468 3.282 20 30 DGEDHN CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206199 1098514824 /nfs/dbraw/zinc/51/48/24/1098514824.db2.gz OPWLIDLBMZQNOQ-KBOKABMXSA-N 0 3 304.478 3.315 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@@H](F)CC ZINC001177381312 1098521845 /nfs/dbraw/zinc/52/18/45/1098521845.db2.gz SUCZQHKGGKRWQM-HNNXBMFYSA-N 0 3 318.864 3.486 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001234267070 1098524334 /nfs/dbraw/zinc/52/43/34/1098524334.db2.gz VWDZVBTXRAJSGU-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2nc(C)cs2)CCCC1 ZINC001177552816 1098547874 /nfs/dbraw/zinc/54/78/74/1098547874.db2.gz NZKNYMCFNQGZFQ-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCc1ccc(C)s1 ZINC001177597096 1098561650 /nfs/dbraw/zinc/56/16/50/1098561650.db2.gz USAMXWIESUSPNB-UHFFFAOYSA-N 0 3 314.882 3.228 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CCN1CCCCCC)OCC ZINC001234642090 1098627916 /nfs/dbraw/zinc/62/79/16/1098627916.db2.gz GXPTURJYUKZBDV-ZWKOTPCHSA-N 0 3 324.509 3.471 20 30 DGEDHN Cn1nc(C(C)(C)C)cc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904791 1098643511 /nfs/dbraw/zinc/64/35/11/1098643511.db2.gz SMHIRFLMCYLHDN-LLVKDONJSA-N 0 3 316.430 3.100 20 30 DGEDHN C#CCCCC(=O)NCCCCCCNCc1csc(C)n1 ZINC001178334923 1098785521 /nfs/dbraw/zinc/78/55/21/1098785521.db2.gz LOVYHSBYAKGVLH-UHFFFAOYSA-N 0 3 321.490 3.021 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@@H]1C ZINC001178311414 1098790934 /nfs/dbraw/zinc/79/09/34/1098790934.db2.gz BWZMOMBNFVWARZ-LRDDRELGSA-N 0 3 308.372 3.010 20 30 DGEDHN CC(C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C)=C1CCC1 ZINC001178648753 1098899694 /nfs/dbraw/zinc/89/96/94/1098899694.db2.gz KHUPQQJYLHHASD-PXNSSMCTSA-N 0 3 322.452 3.118 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001235353027 1098975240 /nfs/dbraw/zinc/97/52/40/1098975240.db2.gz FPHVKQSLBGLNDH-UKRRQHHQSA-N 0 3 322.399 3.466 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001235453669 1099045883 /nfs/dbraw/zinc/04/58/83/1099045883.db2.gz FBBJDBOSQNRDFA-GOSISDBHSA-N 0 3 312.457 3.118 20 30 DGEDHN C=CCCC(=O)NCCCN(C)Cc1ccccc1OC(C)C ZINC001235481367 1099060964 /nfs/dbraw/zinc/06/09/64/1099060964.db2.gz YUDAVHGBSXAJAT-UHFFFAOYSA-N 0 3 318.461 3.378 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179339853 1099077656 /nfs/dbraw/zinc/07/76/56/1099077656.db2.gz NEVFJGAAODMVCU-INIZCTEOSA-N 0 3 321.465 3.352 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179341967 1099079120 /nfs/dbraw/zinc/07/91/20/1099079120.db2.gz PVHPZYTYSIEYJJ-ICSRJNTNSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001235551551 1099085311 /nfs/dbraw/zinc/08/53/11/1099085311.db2.gz UVIVVSCSDFFOST-SGQUHAKNSA-N 0 3 312.457 3.284 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001179384078 1099088194 /nfs/dbraw/zinc/08/81/94/1099088194.db2.gz BXRLNAWACCWCQD-NOLJZWGESA-N 0 3 321.490 3.133 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1c(Cl)nc3ccccn31)C2 ZINC001179419477 1099100313 /nfs/dbraw/zinc/10/03/13/1099100313.db2.gz NCVPPSJUNRLJKD-HNNXBMFYSA-N 0 3 322.799 3.116 20 30 DGEDHN N#CCC1CCN(Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001235668609 1099112783 /nfs/dbraw/zinc/11/27/83/1099112783.db2.gz CYSGEOBATIWNSW-UHFFFAOYSA-N 0 3 314.307 3.416 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001235682322 1099124900 /nfs/dbraw/zinc/12/49/00/1099124900.db2.gz CFIDOSNBJQPWEQ-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001235725903 1099149164 /nfs/dbraw/zinc/14/91/64/1099149164.db2.gz VCGLPHZNCGKZDM-DOMZBBRYSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC001235741822 1099158219 /nfs/dbraw/zinc/15/82/19/1099158219.db2.gz JPNJYUFTHQOZSF-XFHJGTJQSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179692820 1099165566 /nfs/dbraw/zinc/16/55/66/1099165566.db2.gz NZWDTRINXVGBNE-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN N#Cc1cccc(CN2CCN[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001235791673 1099182553 /nfs/dbraw/zinc/18/25/53/1099182553.db2.gz SHAYRVWPPRHWJO-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C\c1ccccc1F ZINC001235799771 1099185612 /nfs/dbraw/zinc/18/56/12/1099185612.db2.gz WXXUIHXIQFTJBL-NBEHIINDSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)c1[O-] ZINC001235853186 1099212434 /nfs/dbraw/zinc/21/24/34/1099212434.db2.gz JGRDBZSKOVEBNV-LJQANCHMSA-N 0 3 308.425 3.267 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCN[C@@H](c3ccccc3)C2)c1[O-] ZINC001235853186 1099212442 /nfs/dbraw/zinc/21/24/42/1099212442.db2.gz JGRDBZSKOVEBNV-LJQANCHMSA-N 0 3 308.425 3.267 20 30 DGEDHN C[C@H](C#N)C(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001179895897 1099225921 /nfs/dbraw/zinc/22/59/21/1099225921.db2.gz VKBFXPAQPPWXPW-RHSMWYFYSA-N 0 3 319.408 3.362 20 30 DGEDHN C[C@@H](C#N)C(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001179895903 1099226522 /nfs/dbraw/zinc/22/65/22/1099226522.db2.gz VKBFXPAQPPWXPW-YOEHRIQHSA-N 0 3 319.408 3.362 20 30 DGEDHN Cc1cnc(C#N)c(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236245962 1099498688 /nfs/dbraw/zinc/49/86/88/1099498688.db2.gz WZLAHOPFCJMCAV-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN N#Cc1ncc(-c2ccc(CN3CCCCC3)c(F)c2)nc1C#N ZINC001236245972 1099499686 /nfs/dbraw/zinc/49/96/86/1099499686.db2.gz XDSBXAAMRNNBLA-UHFFFAOYSA-N 0 3 321.359 3.012 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001110239025 1099500505 /nfs/dbraw/zinc/50/05/05/1099500505.db2.gz LFGRJGHMPPDWLC-KFWWJZLASA-N 0 3 304.459 3.358 20 30 DGEDHN N#Cc1ccc(CN(CCCCO)Cc2ccc(C#N)cc2)cc1 ZINC001236314106 1099528315 /nfs/dbraw/zinc/52/83/15/1099528315.db2.gz HVUUXKOTDFDZLX-UHFFFAOYSA-N 0 3 319.408 3.205 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001273545502 1099575374 /nfs/dbraw/zinc/57/53/74/1099575374.db2.gz ADJHPRJQJPDNBR-UHFFFAOYSA-N 0 3 319.474 3.160 20 30 DGEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)CC(C)C ZINC001151669624 1099592174 /nfs/dbraw/zinc/59/21/74/1099592174.db2.gz HRRGNDBNURQUNP-CQSZACIVSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](NC/C=C\Cl)C2)CCCCC1 ZINC001188047080 1099662437 /nfs/dbraw/zinc/66/24/37/1099662437.db2.gz YNWUFNKWRWUYJT-UJNBGNEJSA-N 0 3 310.869 3.456 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC(C1CCC1)C1CCC1 ZINC001273560641 1099767306 /nfs/dbraw/zinc/76/73/06/1099767306.db2.gz OTJDZKJDKAHRHA-UHFFFAOYSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001188869571 1099876905 /nfs/dbraw/zinc/87/69/05/1099876905.db2.gz JMJWQCXPWORDPX-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN CCCCCCC/C=C/CN1C[C@H]2CCCO[C@H]2[C@@H](C(N)=O)C1 ZINC001278037596 1099911201 /nfs/dbraw/zinc/91/12/01/1099911201.db2.gz QWKKQGCGNOFTHE-RBVZIQTCSA-N 0 3 322.493 3.115 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCOC2CCCCCC2)C1 ZINC001189319431 1100023607 /nfs/dbraw/zinc/02/36/07/1100023607.db2.gz ZMXHRSFYOVAQRS-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN C#CCN(C(=O)CCC)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001278107407 1100154271 /nfs/dbraw/zinc/15/42/71/1100154271.db2.gz OLBXYLNGSDVLKI-UHFFFAOYSA-N 0 3 312.457 3.221 20 30 DGEDHN CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076370 1100202951 /nfs/dbraw/zinc/20/29/51/1100202951.db2.gz OXOTZDQFSULIQA-UFUQCMIWSA-N 0 3 324.468 3.282 20 30 DGEDHN CCc1n[nH]cc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001237651787 1100203617 /nfs/dbraw/zinc/20/36/17/1100203617.db2.gz XWPMUQQFLFVFNZ-UHFFFAOYSA-N 0 3 308.429 3.298 20 30 DGEDHN CCc1[nH]ncc1CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001237654521 1100207070 /nfs/dbraw/zinc/20/70/70/1100207070.db2.gz JGVMLHDMPYKFHY-UHFFFAOYSA-N 0 3 312.392 3.169 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190361338 1100255262 /nfs/dbraw/zinc/25/52/62/1100255262.db2.gz FCBZNYRIBLRSPS-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001190390733 1100258467 /nfs/dbraw/zinc/25/84/67/1100258467.db2.gz TXHYTNQCKWHNOO-QGZVFWFLSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001190422254 1100270374 /nfs/dbraw/zinc/27/03/74/1100270374.db2.gz HWKWMASVCVDHRU-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CCCCCCN1CCN(c2cccc(OCC)n2)CC1 ZINC001190883602 1100357089 /nfs/dbraw/zinc/35/70/89/1100357089.db2.gz JRJQURHWIASQCD-UHFFFAOYSA-N 0 3 303.450 3.349 20 30 DGEDHN CC#CCNC[C@H](NC(=O)CCC)c1ccc2ccccc2c1 ZINC001278205669 1100400150 /nfs/dbraw/zinc/40/01/50/1100400150.db2.gz CXMRTHPNPJHPGN-IBGZPJMESA-N 0 3 308.425 3.410 20 30 DGEDHN C#Cc1ccccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001191128330 1100406970 /nfs/dbraw/zinc/40/69/70/1100406970.db2.gz JJMXNPYVSVGJJJ-IBGZPJMESA-N 0 3 318.420 3.062 20 30 DGEDHN CC(C)Oc1cccc(CN2CCC3SC(=O)C=C3C2)c1F ZINC001238422310 1100438383 /nfs/dbraw/zinc/43/83/83/1100438383.db2.gz HQSOHSFSPVVZMD-OAHLLOKOSA-N 0 3 321.417 3.387 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191717627 1100501509 /nfs/dbraw/zinc/50/15/09/1100501509.db2.gz AHSVDZFJWCVCPF-ZPHJMFTNSA-N 0 3 312.457 3.445 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001191694496 1100506439 /nfs/dbraw/zinc/50/64/39/1100506439.db2.gz BYIUMBMGRPKGEZ-KRWDZBQOSA-N 0 3 324.509 3.184 20 30 DGEDHN Cc1cc(C#N)ccc1CNC1(C(=O)NCC(C)C)CCCC1 ZINC001191832499 1100531140 /nfs/dbraw/zinc/53/11/40/1100531140.db2.gz XQPTVPHAOGRVTH-UHFFFAOYSA-N 0 3 313.445 3.041 20 30 DGEDHN CC[NH+](CC)CCn1cc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001239213804 1100600232 /nfs/dbraw/zinc/60/02/32/1100600232.db2.gz DOZQCZMXLKWCSU-ZZEZOPTASA-N 0 3 312.417 3.016 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001192686830 1100650917 /nfs/dbraw/zinc/65/09/17/1100650917.db2.gz UOIRSJTZSNGBQU-IAGOWNOFSA-N 0 3 324.509 3.089 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cccc(CC)c2)C1=O ZINC001273651923 1100697561 /nfs/dbraw/zinc/69/75/61/1100697561.db2.gz XIVOSPLZMGSYII-HXUWFJFHSA-N 0 3 312.457 3.392 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CCN(CCCC)C3=O)CC2)cc1 ZINC001273671280 1100877076 /nfs/dbraw/zinc/87/70/76/1100877076.db2.gz ALNGWTFEAFFABN-UHFFFAOYSA-N 0 3 324.468 3.283 20 30 DGEDHN C=C[C@H](C(=O)N1CC[C@H](N(C)CC=C(C)C)C1)c1ccccc1 ZINC001194183490 1100886271 /nfs/dbraw/zinc/88/62/71/1100886271.db2.gz QDAGZVNXFYMYEI-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194336155 1100926751 /nfs/dbraw/zinc/92/67/51/1100926751.db2.gz GTBQMCNTUXIOJX-ROUUACIJSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194336154 1100927014 /nfs/dbraw/zinc/92/70/14/1100927014.db2.gz GTBQMCNTUXIOJX-QZTJIDSGSA-N 0 3 324.509 3.184 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cccc(CC#N)c3F)cc2)CC1 ZINC001240401450 1100978313 /nfs/dbraw/zinc/97/83/13/1100978313.db2.gz CMIXADWXSBVAOO-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccc(CC#N)c(F)c3)cc2)CC1 ZINC001240402153 1100979030 /nfs/dbraw/zinc/97/90/30/1100979030.db2.gz KQDKCRCPJLAYKS-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccccc3CC#N)cc2)CC1 ZINC001240401916 1100979713 /nfs/dbraw/zinc/97/97/13/1100979713.db2.gz MWCRRKFRUCBALP-UHFFFAOYSA-N 0 3 305.425 3.167 20 30 DGEDHN C=CCCC(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001195192177 1101087271 /nfs/dbraw/zinc/08/72/71/1101087271.db2.gz UAWPSKBQMIHSRL-UHFFFAOYSA-N 0 3 300.446 3.038 20 30 DGEDHN C=CCCC(=O)N1CCCN(CCCc2cccc(F)c2)CC1 ZINC001195226051 1101102268 /nfs/dbraw/zinc/10/22/68/1101102268.db2.gz MOSCZTCJQYEXNV-UHFFFAOYSA-N 0 3 318.436 3.259 20 30 DGEDHN CCC/C=C/CCN1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785829 1101201456 /nfs/dbraw/zinc/20/14/56/1101201456.db2.gz XEZBFMXZNAAXTO-BQYQJAHWSA-N 0 3 304.478 3.317 20 30 DGEDHN C=CCCN1CCCN(C(=O)[C@@H](C)OCCCCCC)CC1 ZINC001195839625 1101212009 /nfs/dbraw/zinc/21/20/09/1101212009.db2.gz QLVQPGDLQFGCGR-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001195997263 1101233579 /nfs/dbraw/zinc/23/35/79/1101233579.db2.gz SGCVWLOMJWZOAA-UHFFFAOYSA-N 0 3 314.420 3.168 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccsn2)CC1 ZINC001196252031 1101271423 /nfs/dbraw/zinc/27/14/23/1101271423.db2.gz YOEQSDZHIYTVLS-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CC[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC001196442575 1101301430 /nfs/dbraw/zinc/30/14/30/1101301430.db2.gz RQAFFAFBTLEXHJ-WBMJQRKESA-N 0 3 322.811 3.482 20 30 DGEDHN C=CC[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC001196442572 1101301978 /nfs/dbraw/zinc/30/19/78/1101301978.db2.gz RQAFFAFBTLEXHJ-BLLLJJGKSA-N 0 3 322.811 3.482 20 30 DGEDHN O=C1CCN(CC#Cc2ccc(Cl)cc2)CCCCCCN1 ZINC001196806989 1101394621 /nfs/dbraw/zinc/39/46/21/1101394621.db2.gz IWNRPEHKKSDPTN-UHFFFAOYSA-N 0 3 318.848 3.074 20 30 DGEDHN CC#CCCCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196839461 1101404444 /nfs/dbraw/zinc/40/44/44/1101404444.db2.gz VSQWPTGNLPQGTI-UHFFFAOYSA-N 0 3 318.486 3.019 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001197036206 1101461170 /nfs/dbraw/zinc/46/11/70/1101461170.db2.gz BUZKMPIPDXMDLN-QGZVFWFLSA-N 0 3 312.498 3.162 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001197292330 1101532743 /nfs/dbraw/zinc/53/27/43/1101532743.db2.gz WSSNZKQHVBQAKJ-UHFFFAOYSA-N 0 3 314.420 3.168 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC001197331889 1101549951 /nfs/dbraw/zinc/54/99/51/1101549951.db2.gz PVJKRVBKYHRFHW-OAHLLOKOSA-N 0 3 319.449 3.301 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccc(OC)o2)CC1 ZINC001197536838 1101583647 /nfs/dbraw/zinc/58/36/47/1101583647.db2.gz QQRISDLEVKAGAI-UHFFFAOYSA-N 0 3 322.449 3.407 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC001197747162 1101657749 /nfs/dbraw/zinc/65/77/49/1101657749.db2.gz JKSQZUXZWNHXMU-SFHVURJKSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC001198054830 1101737344 /nfs/dbraw/zinc/73/73/44/1101737344.db2.gz YJXJPFOIQSZCGQ-UHFFFAOYSA-N 0 3 306.475 3.479 20 30 DGEDHN C#CCCN1CCCN(C(=O)CCCC2CCCCC2)CC1 ZINC001198040396 1101746571 /nfs/dbraw/zinc/74/65/71/1101746571.db2.gz HLTQUKGUHVRVOW-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC001198128976 1101758547 /nfs/dbraw/zinc/75/85/47/1101758547.db2.gz BSDNTMRINGUXLD-ZDUSSCGKSA-N 0 3 321.490 3.263 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(C[C@@H](C)OC)CC2)CCCCC1 ZINC001198221017 1101782595 /nfs/dbraw/zinc/78/25/95/1101782595.db2.gz DLZUKWDUIDKDGY-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cnc(C(C)C)s2)CC1 ZINC001198423065 1101850813 /nfs/dbraw/zinc/85/08/13/1101850813.db2.gz JTPBKOBUPKYMHS-UHFFFAOYSA-N 0 3 321.490 3.381 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)[C@@H](C)CC)c1ccccc1OC ZINC001198539777 1101902511 /nfs/dbraw/zinc/90/25/11/1101902511.db2.gz DJIUEEADAUJDPV-DOTOQJQBSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198553002 1101917070 /nfs/dbraw/zinc/91/70/70/1101917070.db2.gz HAKUZJXTGFIOFX-MRXNPFEDSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)CCC=C)c1ccccc1OC ZINC001198606994 1101924502 /nfs/dbraw/zinc/92/45/02/1101924502.db2.gz XLSYFVLUQBDFNS-KRWDZBQOSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198743354 1101966194 /nfs/dbraw/zinc/96/61/94/1101966194.db2.gz XNUAXXCULXYRGS-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)/C=C(/C)CC)c1ccccc1OC ZINC001198713044 1101972300 /nfs/dbraw/zinc/97/23/00/1101972300.db2.gz KPSPEQWQBVUNDK-REZBVGGZSA-N 0 3 316.445 3.375 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198885412 1102021815 /nfs/dbraw/zinc/02/18/15/1102021815.db2.gz GRTRFSOTEBWGHG-VQIMIIECSA-N 0 3 318.461 3.453 20 30 DGEDHN C#Cc1ccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)cc1 ZINC001242293231 1102034826 /nfs/dbraw/zinc/03/48/26/1102034826.db2.gz CHZCMJHJNFZPGI-UHFFFAOYSA-N 0 3 307.397 3.173 20 30 DGEDHN Cc1cc(C#N)ccc1-c1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001242469440 1102149508 /nfs/dbraw/zinc/14/95/08/1102149508.db2.gz FCERTBXFLMQMJR-UHFFFAOYSA-N 0 3 322.412 3.372 20 30 DGEDHN N#Cc1ccccc1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001242716459 1102304030 /nfs/dbraw/zinc/30/40/30/1102304030.db2.gz WKCLQDALKLFYBQ-IBGZPJMESA-N 0 3 303.365 3.139 20 30 DGEDHN CC#Cc1cncc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1 ZINC001242940087 1102431882 /nfs/dbraw/zinc/43/18/82/1102431882.db2.gz FENAYFOGFXFUMG-FQEVSTJZSA-N 0 3 317.392 3.034 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc2cccc(C)c2nc1Cl ZINC001201761036 1102719614 /nfs/dbraw/zinc/71/96/14/1102719614.db2.gz KZILRKOCOJUNEI-CYBMUJFWSA-N 0 3 304.821 3.471 20 30 DGEDHN CCCCCCCCN1CCCn2cnc(CNC(C)=O)c2C1 ZINC001201826423 1102738889 /nfs/dbraw/zinc/73/88/89/1102738889.db2.gz WDIXBMRWTBLYLU-UHFFFAOYSA-N 0 3 320.481 3.085 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCc1cccc2cc[nH]c21 ZINC001202017610 1102782473 /nfs/dbraw/zinc/78/24/73/1102782473.db2.gz GDJHXYORHWENAG-UHFFFAOYSA-N 0 3 304.397 3.395 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202109554 1102857845 /nfs/dbraw/zinc/85/78/45/1102857845.db2.gz WOQXKMLTLJRXPO-FNWMBBJUSA-N 0 3 319.276 3.488 20 30 DGEDHN Cc1cccc(C)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001202200108 1102887899 /nfs/dbraw/zinc/88/78/99/1102887899.db2.gz ZRMBWVZPHLZZQP-ZDUSSCGKSA-N 0 3 302.399 3.109 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)[C@H](C)CC ZINC001325709130 1103108178 /nfs/dbraw/zinc/10/81/78/1103108178.db2.gz ZGQHMTDGIBPIAA-QZTJIDSGSA-N 0 3 314.473 3.310 20 30 DGEDHN CN1CCN(Cc2cccc(NC3=CC[C@@H](C#N)CC3)c2)CC1 ZINC001212863872 1103117710 /nfs/dbraw/zinc/11/77/10/1103117710.db2.gz IXNUBWVUORHMRC-MRXNPFEDSA-N 0 3 310.445 3.053 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC1CCCCC1 ZINC001325916341 1103162355 /nfs/dbraw/zinc/16/23/55/1103162355.db2.gz ICVNXENJNNKEBJ-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCCc3ccsc3)[C@@H]2C1 ZINC001325942811 1103167841 /nfs/dbraw/zinc/16/78/41/1103167841.db2.gz OVEJKXKTULTERV-DLBZAZTESA-N 0 3 318.486 3.180 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1ccco1)C2 ZINC001111285648 1103174839 /nfs/dbraw/zinc/17/48/39/1103174839.db2.gz VQXYJYBMYHFTAB-JJXSEGSLSA-N 0 3 302.418 3.071 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc3ccccc13)C2 ZINC001095833050 1103233734 /nfs/dbraw/zinc/23/37/34/1103233734.db2.gz RDEHJZMUHYPTCN-COXVUDFISA-N 0 3 324.449 3.260 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2)[C@H]1CC ZINC001489145513 1103300244 /nfs/dbraw/zinc/30/02/44/1103300244.db2.gz TVSTZWUKAPJHMW-BPQIPLTHSA-N 0 3 300.446 3.020 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)SC)cc1 ZINC001326467103 1103328656 /nfs/dbraw/zinc/32/86/56/1103328656.db2.gz FFVWALSHXMKBEN-LSDHHAIUSA-N 0 3 318.486 3.118 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCC(C)C)cc1 ZINC001326495567 1103341806 /nfs/dbraw/zinc/34/18/06/1103341806.db2.gz UTWMSJZVVDLZNO-MRXNPFEDSA-N 0 3 300.446 3.413 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001326536170 1103357533 /nfs/dbraw/zinc/35/75/33/1103357533.db2.gz HPDIEMBXACYHPH-NSHDSACASA-N 0 3 317.336 3.258 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C=C(/C)CC)cccc2C1 ZINC001326674057 1103404471 /nfs/dbraw/zinc/40/44/71/1103404471.db2.gz HRPGORQBGHZWGB-SSZFMOIBSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114748756 1103422651 /nfs/dbraw/zinc/42/26/51/1103422651.db2.gz URHABXMVGCSXMN-CKNFYHOISA-N 0 3 316.420 3.289 20 30 DGEDHN C#CCNC1(CNC(=O)c2csc3cc(C)ccc23)CCC1 ZINC001326831184 1103456199 /nfs/dbraw/zinc/45/61/99/1103456199.db2.gz XFTNRBIYZKXLKY-UHFFFAOYSA-N 0 3 312.438 3.085 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001490205892 1103500589 /nfs/dbraw/zinc/50/05/89/1103500589.db2.gz PQOLMRMZYVIIDL-ABHNRTSZSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001490222714 1103512890 /nfs/dbraw/zinc/51/28/90/1103512890.db2.gz VKAZCJBDJGVJEM-OALUTQOASA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccccc1Cl ZINC001276345689 1103518356 /nfs/dbraw/zinc/51/83/56/1103518356.db2.gz RMZFOPCCXVFUNP-UHFFFAOYSA-N 0 3 301.217 3.144 20 30 DGEDHN CCN(CCCNC(=O)[C@@H](C)C(C)C)Cc1ccc(C#N)s1 ZINC001490349415 1103558765 /nfs/dbraw/zinc/55/87/65/1103558765.db2.gz CKHIHMLMNISGLI-AWEZNQCLSA-N 0 3 321.490 3.240 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1c[nH]cc1C ZINC001490309510 1103561899 /nfs/dbraw/zinc/56/18/99/1103561899.db2.gz KSBKULJIBSAOCR-DZGCQCFKSA-N 0 3 309.841 3.048 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001327212559 1103584377 /nfs/dbraw/zinc/58/43/77/1103584377.db2.gz HLIIDWNUKGJVBB-UHFFFAOYSA-N 0 3 312.457 3.371 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC001327225482 1103591583 /nfs/dbraw/zinc/59/15/83/1103591583.db2.gz OXQXYROTVKMPTF-SOFGYWHQSA-N 0 3 316.420 3.033 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001490449426 1103608687 /nfs/dbraw/zinc/60/86/87/1103608687.db2.gz QYKSVSLAEQHECQ-IEBWSBKVSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCOCCN1CCC(N(C)C(=O)C(C)(C)CC(C)C)CC1 ZINC001490420529 1103617502 /nfs/dbraw/zinc/61/75/02/1103617502.db2.gz AKBXVONWKVCZSI-UHFFFAOYSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC001490421276 1103617879 /nfs/dbraw/zinc/61/78/79/1103617879.db2.gz QCNCDOCLHDSOAN-KRWDZBQOSA-N 0 3 312.457 3.455 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)/C=C(/C)CC)C1 ZINC001327307665 1103620240 /nfs/dbraw/zinc/62/02/40/1103620240.db2.gz FLRTUGQEYUOLTL-LJONUGOCSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CC1CCCCC1 ZINC001114921114 1103635974 /nfs/dbraw/zinc/63/59/74/1103635974.db2.gz GSBGYBBCWDLEDR-BDXSIMOUSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001490553986 1103652814 /nfs/dbraw/zinc/65/28/14/1103652814.db2.gz CQAXSZCIWPZBEY-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001490554754 1103653147 /nfs/dbraw/zinc/65/31/47/1103653147.db2.gz VCYVEFVVMATEMY-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC[C@@H](C)F)C2)CCCCC1 ZINC001490579107 1103668130 /nfs/dbraw/zinc/66/81/30/1103668130.db2.gz HZIMSRAGFJBIBT-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1(CC)CC1 ZINC001327513753 1103668922 /nfs/dbraw/zinc/66/89/22/1103668922.db2.gz QUITXAIWCCLDKA-SFHVURJKSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](CC)CCCC)CC1 ZINC001490596697 1103673136 /nfs/dbraw/zinc/67/31/36/1103673136.db2.gz AYVAYIHDFHBHSL-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001490599235 1103673294 /nfs/dbraw/zinc/67/32/94/1103673294.db2.gz QEPXQVGWFGXOPD-ZAOIQFLMSA-N 0 3 322.452 3.084 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001490645758 1103675250 /nfs/dbraw/zinc/67/52/50/1103675250.db2.gz XAHBIBKWXUKPFG-BLLLJJGKSA-N 0 3 319.474 3.040 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC001490603430 1103677514 /nfs/dbraw/zinc/67/75/14/1103677514.db2.gz DHJKGEQERQJTPW-PKOBYXMFSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(CC(C)C)CC(C)C)CC1 ZINC001490606867 1103679207 /nfs/dbraw/zinc/67/92/07/1103679207.db2.gz AZYHXWHWLWOFHT-SFHVURJKSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001276377645 1103698547 /nfs/dbraw/zinc/69/85/47/1103698547.db2.gz WYKCKDGKYOICDV-MRXNPFEDSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC1 ZINC001095969148 1103715392 /nfs/dbraw/zinc/71/53/92/1103715392.db2.gz GJLFCPIMOMNSTD-SQNIBIBYSA-N 0 3 302.462 3.421 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1Cl)C2 ZINC001095974156 1103720103 /nfs/dbraw/zinc/72/01/03/1103720103.db2.gz GSWSYRXLRWCIBI-XBFCOCLRSA-N 0 3 308.809 3.234 20 30 DGEDHN C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490750577 1103723371 /nfs/dbraw/zinc/72/33/71/1103723371.db2.gz DFKZJUSDWIKEEO-MRXNPFEDSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490750577 1103723379 /nfs/dbraw/zinc/72/33/79/1103723379.db2.gz DFKZJUSDWIKEEO-MRXNPFEDSA-N 0 3 316.445 3.142 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C1(C)CC1)C2 ZINC001095999845 1103726994 /nfs/dbraw/zinc/72/69/94/1103726994.db2.gz PPCBFIPUBBNROS-MNEFBYGVSA-N 0 3 322.452 3.097 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c[nH]1 ZINC001490784811 1103743448 /nfs/dbraw/zinc/74/34/48/1103743448.db2.gz OUMJOLJSGZRWBL-YUELXQCFSA-N 0 3 321.852 3.312 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CCCC1CC1 ZINC001278396689 1103838713 /nfs/dbraw/zinc/83/87/13/1103838713.db2.gz BUGOGEQMCUWWJT-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CCCC1CC1 ZINC001278396687 1103839136 /nfs/dbraw/zinc/83/91/36/1103839136.db2.gz BUGOGEQMCUWWJT-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)c(C)s1)C2 ZINC001096571887 1103867437 /nfs/dbraw/zinc/86/74/37/1103867437.db2.gz OMTDYNHYRRBLGF-ILXRZTDVSA-N 0 3 319.474 3.061 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)C2 ZINC001096573603 1103868835 /nfs/dbraw/zinc/86/88/35/1103868835.db2.gz ZPRUJNSONBQKGJ-NBMRYCAZSA-N 0 3 316.420 3.227 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001114348317 1103870898 /nfs/dbraw/zinc/87/08/98/1103870898.db2.gz LDRMLMJAHZLNRA-YRWFTTLQSA-N 0 3 324.424 3.336 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001114351721 1103872127 /nfs/dbraw/zinc/87/21/27/1103872127.db2.gz QRLDNKCWRMPDIF-DZFIZOCASA-N 0 3 316.420 3.037 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC3CCC1CC3)C2 ZINC001096620593 1103887283 /nfs/dbraw/zinc/88/72/83/1103887283.db2.gz LQQSKYNZRQMJGN-SAYOKUIWSA-N 0 3 302.462 3.110 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1C(C)C)C2 ZINC001096641330 1103893099 /nfs/dbraw/zinc/89/30/99/1103893099.db2.gz NIEVUSVHSBCYJI-KBMXLJTQSA-N 0 3 302.418 3.314 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(c3ccccc3)C1)C2 ZINC001096645950 1103895845 /nfs/dbraw/zinc/89/58/45/1103895845.db2.gz ZARWIKDQXFENOF-PBDJWPIDSA-N 0 3 324.468 3.478 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)s1)C2 ZINC001096647376 1103896360 /nfs/dbraw/zinc/89/63/60/1103896360.db2.gz MKGWREYYVRBMSF-AGIUHOORSA-N 0 3 308.422 3.189 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001328377944 1103926976 /nfs/dbraw/zinc/92/69/76/1103926976.db2.gz QWUNKRQGPFXFQG-LRDDRELGSA-N 0 3 324.827 3.092 20 30 DGEDHN CC#CCCCC(=O)NCC[C@H](C)NCc1cccc(F)c1F ZINC001328387936 1103928641 /nfs/dbraw/zinc/92/86/41/1103928641.db2.gz GMRVRJJMJHPXHV-AWEZNQCLSA-N 0 3 322.399 3.143 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1CCC ZINC001328467632 1103957570 /nfs/dbraw/zinc/95/75/70/1103957570.db2.gz GGRDWJADKRYCCF-KRWDZBQOSA-N 0 3 300.446 3.324 20 30 DGEDHN N#CCOc1ccc(CN2CCC3(CCC(=O)CC3)CC2)cc1 ZINC001137121643 1103995280 /nfs/dbraw/zinc/99/52/80/1103995280.db2.gz WUCGDSRINDOUNZ-UHFFFAOYSA-N 0 3 312.413 3.314 20 30 DGEDHN N#Cc1ccc2c(c1)nccc2C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245422845 1104043534 /nfs/dbraw/zinc/04/35/34/1104043534.db2.gz DPLQGCTVTSMQRQ-QGZVFWFLSA-N 0 3 319.408 3.375 20 30 DGEDHN O/N=C1/CCc2cc(C3=CC[C@@H](N4CCOCC4)CC3)ccc21 ZINC001245426838 1104047640 /nfs/dbraw/zinc/04/76/40/1104047640.db2.gz KCRFGXRRFAUKFT-FTHOYRMOSA-N 0 3 312.413 3.079 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CC2(C1)C[C@H](F)CS2 ZINC001253238265 1104051317 /nfs/dbraw/zinc/05/13/17/1104051317.db2.gz BYGACYRBEZTZLP-LSDHHAIUSA-N 0 3 301.471 3.403 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202591155 1104069406 /nfs/dbraw/zinc/06/94/06/1104069406.db2.gz NXCZXLNHNVGDFJ-OALUTQOASA-N 0 3 322.452 3.021 20 30 DGEDHN C#CC[C@H](CCOC)NCc1cscc1Br ZINC001328789122 1104071978 /nfs/dbraw/zinc/07/19/78/1104071978.db2.gz MBZZPZRJZMQSRA-LLVKDONJSA-N 0 3 302.237 3.029 20 30 DGEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccc(C#N)cc1 ZINC001245494952 1104087638 /nfs/dbraw/zinc/08/76/38/1104087638.db2.gz BSDMXXRLRFVFPC-UHFFFAOYSA-N 0 3 308.385 3.064 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C)ccc2C)C1 ZINC001328950424 1104105784 /nfs/dbraw/zinc/10/57/84/1104105784.db2.gz QHWFFYKKBXXKGG-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202693697 1104121093 /nfs/dbraw/zinc/12/10/93/1104121093.db2.gz CJGYDFILUOIXSU-BENRWUELSA-N 0 3 319.276 3.488 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001278412146 1104152278 /nfs/dbraw/zinc/15/22/78/1104152278.db2.gz XCQBYAUUGUNKIB-TVFCKZIOSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001329131268 1104165167 /nfs/dbraw/zinc/16/51/67/1104165167.db2.gz JIFSYQDFLYXRSM-CHWSQXEVSA-N 0 3 319.474 3.205 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(CC)ccn1 ZINC001329291452 1104213892 /nfs/dbraw/zinc/21/38/92/1104213892.db2.gz UZCKKQBMXBKUFK-UHFFFAOYSA-N 0 3 323.868 3.084 20 30 DGEDHN Cc1cccc(C(=O)NC[C@@H](C)N(C)Cc2cccc(C#N)c2)c1 ZINC001329374921 1104235986 /nfs/dbraw/zinc/23/59/86/1104235986.db2.gz INRXRUYSPXOBJI-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(C)c(F)cc1Br ZINC001329389063 1104243003 /nfs/dbraw/zinc/24/30/03/1104243003.db2.gz JALFQVAMIHRHDN-LLVKDONJSA-N 0 3 316.214 3.171 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329411130 1104254108 /nfs/dbraw/zinc/25/41/08/1104254108.db2.gz BRZSUESIOKNQCW-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001274236486 1104333342 /nfs/dbraw/zinc/33/33/42/1104333342.db2.gz VAIDGKZVGAQWTP-CMDGGOBGSA-N 0 3 304.478 3.124 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2c(C)nsc2C)[C@@H](C)C1 ZINC001274252211 1104335080 /nfs/dbraw/zinc/33/50/80/1104335080.db2.gz UVKKCKZNRLNUGE-LRDDRELGSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc(C(C)C)c1 ZINC001274270201 1104338818 /nfs/dbraw/zinc/33/88/18/1104338818.db2.gz RBVFYSWZNCNQEE-NRFANRHFSA-N 0 3 324.468 3.400 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1csc(C)c1 ZINC001274339193 1104358079 /nfs/dbraw/zinc/35/80/79/1104358079.db2.gz LLULWBZFZTTXCX-IWAYRVGRSA-N 0 3 306.475 3.421 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001274426339 1104383437 /nfs/dbraw/zinc/38/34/37/1104383437.db2.gz SLDYCUGETLWIMY-MRXNPFEDSA-N 0 3 318.486 3.124 20 30 DGEDHN CC(C)(C)c1ccc(N=NC2CCCN3CCCC[C@@H]23)nn1 ZINC001329933938 1104428821 /nfs/dbraw/zinc/42/88/21/1104428821.db2.gz PHTJHNYNQPOSNW-AWEZNQCLSA-N 0 3 301.438 3.190 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001329937801 1104430736 /nfs/dbraw/zinc/43/07/36/1104430736.db2.gz OIYJZSHSSTVBHS-SJORKVTESA-N 0 3 304.409 3.244 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001330012954 1104452092 /nfs/dbraw/zinc/45/20/92/1104452092.db2.gz LOFWWGDOANXPME-CYBMUJFWSA-N 0 3 322.399 3.179 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001330052729 1104464696 /nfs/dbraw/zinc/46/46/96/1104464696.db2.gz CHNGZHGENIWVDY-HUUCEWRRSA-N 0 3 318.436 3.017 20 30 DGEDHN C#CC[C@H](CCOC)NCc1cccc(F)c1Br ZINC001330107500 1104481083 /nfs/dbraw/zinc/48/10/83/1104481083.db2.gz DCHQIFKFMRVAND-GFCCVEGCSA-N 0 3 314.198 3.106 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2ccc(Cl)s2)C1 ZINC001278443485 1104506663 /nfs/dbraw/zinc/50/66/63/1104506663.db2.gz BDDAQWHNMGUSNU-OAHLLOKOSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)CC1CC1 ZINC001274846736 1104517549 /nfs/dbraw/zinc/51/75/49/1104517549.db2.gz JLSLMYAQEQITCH-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCCCN1CC2(C1)CN(C(=O)[C@H]1C=CCC=C1C)C2 ZINC001274975132 1104564156 /nfs/dbraw/zinc/56/41/56/1104564156.db2.gz URUNZVHTLPLLHL-KRWDZBQOSA-N 0 3 300.446 3.009 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@](C)(CC)CCC)C[C@]2(C)C1 ZINC001330537057 1104572486 /nfs/dbraw/zinc/57/24/86/1104572486.db2.gz FXYQPECQOUTSFL-SLFFLAALSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001330607548 1104591529 /nfs/dbraw/zinc/59/15/29/1104591529.db2.gz ARHXDEZOLYIVSA-SOLBZPMBSA-N 0 3 318.848 3.384 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN[C@H](CC)c1ccc(F)cc1F ZINC001275092473 1104618945 /nfs/dbraw/zinc/61/89/45/1104618945.db2.gz QADHHLGPSUQCQD-BLLLJJGKSA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001330696398 1104621665 /nfs/dbraw/zinc/62/16/65/1104621665.db2.gz XDVOSOVISUQNDR-FRFSOERESA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001330707438 1104626200 /nfs/dbraw/zinc/62/62/00/1104626200.db2.gz DDEYVKDOPHEDLL-BFYDXBDKSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CCC)c1ccccn1 ZINC001275135597 1104643297 /nfs/dbraw/zinc/64/32/97/1104643297.db2.gz LFUNBHFIQLJKQK-IRXDYDNUSA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CN(C)C[C@H]1CC(C)(C)CO1 ZINC001275135737 1104644178 /nfs/dbraw/zinc/64/41/78/1104644178.db2.gz NNCPBKCBIPIBAX-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001275168397 1104663162 /nfs/dbraw/zinc/66/31/62/1104663162.db2.gz OTUXNRXOBCADFS-HNNXBMFYSA-N 0 3 303.450 3.156 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCc1ccc(C)s1 ZINC001275176985 1104666545 /nfs/dbraw/zinc/66/65/45/1104666545.db2.gz SBFKORPLQKFOMG-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C2(C3CCC3)CCC2)C1 ZINC001275269028 1104698868 /nfs/dbraw/zinc/69/88/68/1104698868.db2.gz WYBMZOSMBIVRHA-UHFFFAOYSA-N 0 3 310.869 3.194 20 30 DGEDHN N#Cc1ccc(Cl)c(CN2CC3(CCN3C3CCCC3)C2)c1 ZINC001275312503 1104718747 /nfs/dbraw/zinc/71/87/47/1104718747.db2.gz VMMQYFJOJQCCLQ-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ccccn2)CCCC1 ZINC001275580285 1104818251 /nfs/dbraw/zinc/81/82/51/1104818251.db2.gz LKIYGXTUWVLSOR-HOTGVXAUSA-N 0 3 315.461 3.201 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)CCc1csc(C)n1 ZINC001275639422 1104843463 /nfs/dbraw/zinc/84/34/63/1104843463.db2.gz VMUKKWBXUDWGCN-SUMWQHHRSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001275651232 1104847580 /nfs/dbraw/zinc/84/75/80/1104847580.db2.gz COIVSTQAVOLGNK-UHFFFAOYSA-N 0 3 304.434 3.046 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCC[C@H]1CNCc1csc(C)n1 ZINC001275746039 1104892014 /nfs/dbraw/zinc/89/20/14/1104892014.db2.gz HSKWWNMHAFPBMU-HOCLYGCPSA-N 0 3 321.490 3.182 20 30 DGEDHN CN(C)CCc1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001247446911 1104904935 /nfs/dbraw/zinc/90/49/35/1104904935.db2.gz WNLWDVDHOJMBHC-UHFFFAOYSA-N 0 3 311.172 3.019 20 30 DGEDHN C=CCOc1ccc(-c2noc(C3CCN(C)CC3)n2)c(F)c1 ZINC001247454825 1104906364 /nfs/dbraw/zinc/90/63/64/1104906364.db2.gz SOJUMLXGAVUDAK-UHFFFAOYSA-N 0 3 317.364 3.250 20 30 DGEDHN N#Cc1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)c2ccccc12 ZINC001247620645 1104938920 /nfs/dbraw/zinc/93/89/20/1104938920.db2.gz DRIVBAPUZVOMPD-LYRGGWFBSA-N 0 3 302.337 3.184 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001275904311 1104949417 /nfs/dbraw/zinc/94/94/17/1104949417.db2.gz GCTIVSRPYCJKBD-AWEZNQCLSA-N 0 3 320.502 3.495 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001275946963 1104965507 /nfs/dbraw/zinc/96/55/07/1104965507.db2.gz UJWMAWIZEZMSLQ-FUHWJXTLSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001275970556 1104971826 /nfs/dbraw/zinc/97/18/26/1104971826.db2.gz POIAORIEHCMWGW-CABCVRRESA-N 0 3 304.434 3.100 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001280777552 1104986286 /nfs/dbraw/zinc/98/62/86/1104986286.db2.gz SXLYAZANIQBZLD-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001276010553 1104987957 /nfs/dbraw/zinc/98/79/57/1104987957.db2.gz HHXDYRZXDDCPHW-RHSMWYFYSA-N 0 3 306.425 3.188 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)C2 ZINC001095456278 1105015470 /nfs/dbraw/zinc/01/54/70/1105015470.db2.gz PBHNBNGUWKNRPN-BDXSIMOUSA-N 0 3 302.462 3.421 20 30 DGEDHN N#Cc1cccc(CN2CC3(CCN3C3CCCC3)C2)c1Cl ZINC001276129872 1105025243 /nfs/dbraw/zinc/02/52/43/1105025243.db2.gz VGQIVCXCSNSWMW-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CCC(c2noc(C)n2)CC1 ZINC001248751332 1105155624 /nfs/dbraw/zinc/15/56/24/1105155624.db2.gz SPGIIHQQHPDKGE-UHFFFAOYSA-N 0 3 310.401 3.192 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001248751168 1105155693 /nfs/dbraw/zinc/15/56/93/1105155693.db2.gz LSYSOOJAVQZXFQ-KRWDZBQOSA-N 0 3 314.429 3.284 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@H](Oc2ccncc2C)C1 ZINC001248753149 1105156325 /nfs/dbraw/zinc/15/63/25/1105156325.db2.gz URIDXLCEAJAVPW-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)c(Cl)nc1C ZINC001248994852 1105210401 /nfs/dbraw/zinc/21/04/01/1105210401.db2.gz VMKGIHCCTHZTIF-CYBMUJFWSA-N 0 3 308.834 3.126 20 30 DGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)c(Cl)nc1C ZINC001248994853 1105210410 /nfs/dbraw/zinc/21/04/10/1105210410.db2.gz VMKGIHCCTHZTIF-ZDUSSCGKSA-N 0 3 308.834 3.126 20 30 DGEDHN N#Cc1ccn2ncc(CN3CCCC4(CC(F)C4)CC3)c2c1 ZINC001249113791 1105227905 /nfs/dbraw/zinc/22/79/05/1105227905.db2.gz OHSXOXWGGSSSPS-UHFFFAOYSA-N 0 3 312.392 3.310 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(F)cc3Cl)no2)CCCN1 ZINC001249352635 1105272083 /nfs/dbraw/zinc/27/20/83/1105272083.db2.gz DFBMSIAQZRKDAI-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(C)c(Cl)c3)no2)CCCN1 ZINC001249352193 1105272331 /nfs/dbraw/zinc/27/23/31/1105272331.db2.gz XJQKDDATBGUXGU-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(Cl)c(C)c3)no2)CCCN1 ZINC001249351689 1105272633 /nfs/dbraw/zinc/27/26/33/1105272633.db2.gz BWSWZSYQGJDNHP-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249559880 1105315948 /nfs/dbraw/zinc/31/59/48/1105315948.db2.gz PEZWFUBLYOMHMS-INIZCTEOSA-N 0 3 317.820 3.392 20 30 DGEDHN Cc1ccc(C)c(NC2=CC[C@H](N3CCOCC3)CC2)c1C#N ZINC001249561761 1105317032 /nfs/dbraw/zinc/31/70/32/1105317032.db2.gz SJSNUZQJCMKBKM-KRWDZBQOSA-N 0 3 311.429 3.356 20 30 DGEDHN CCCCCCCNC(=S)N1CCC2SC(=O)C=C2C1 ZINC001249633085 1105337442 /nfs/dbraw/zinc/33/74/42/1105337442.db2.gz QOUJWOQDGYNFCK-CYBMUJFWSA-N 0 3 312.504 3.105 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001278542916 1105403318 /nfs/dbraw/zinc/40/33/18/1105403318.db2.gz WSBWHRIQWVKSQJ-CTXBLAANSA-N 0 3 319.276 3.490 20 30 DGEDHN CCN1CCN(c2ccc(Cc3ccc(C#N)cc3)cc2)CC1 ZINC001250051867 1105432836 /nfs/dbraw/zinc/43/28/36/1105432836.db2.gz KSUZHAOTUXOFOF-UHFFFAOYSA-N 0 3 305.425 3.291 20 30 DGEDHN CCOc1cc(C)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001250170380 1105457925 /nfs/dbraw/zinc/45/79/25/1105457925.db2.gz XJONMTVWKPKTKT-MRXNPFEDSA-N 0 3 303.427 3.168 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc[nH]c3c1)C2 ZINC001097932726 1105466025 /nfs/dbraw/zinc/46/60/25/1105466025.db2.gz LVPRUEURMPGKAW-NXHRZFHOSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001278585467 1105546611 /nfs/dbraw/zinc/54/66/11/1105546611.db2.gz LQHAXMKYTNEVNP-HIZVYSOWSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2ncc(C)s2)C1 ZINC001278586042 1105550152 /nfs/dbraw/zinc/55/01/52/1105550152.db2.gz PTFQMHLWTHYZTN-ZIAGYGMSSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCCC3)C2 ZINC001098284355 1105566970 /nfs/dbraw/zinc/56/69/70/1105566970.db2.gz YKDOOXMGKZYEAV-OIISXLGYSA-N 0 3 314.429 3.070 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCc3ccccc31)C2 ZINC001098482881 1105578407 /nfs/dbraw/zinc/57/84/07/1105578407.db2.gz GBGLYPQRMMKLFQ-RDPOXOKHSA-N 0 3 324.468 3.188 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccccc1 ZINC001099125385 1105645835 /nfs/dbraw/zinc/64/58/35/1105645835.db2.gz GIFBOWOMOJMFDH-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001099126411 1105646138 /nfs/dbraw/zinc/64/61/38/1105646138.db2.gz PBQAKLWAGQXJMJ-CUWPLCDZSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H]1C(F)(F)F ZINC001099207213 1105657540 /nfs/dbraw/zinc/65/75/40/1105657540.db2.gz ZBGRLHNNASCLMI-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C(C)(F)F)CC1 ZINC001099239912 1105660860 /nfs/dbraw/zinc/66/08/60/1105660860.db2.gz MQSDDUNDBDCBFS-ZDUSSCGKSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001099269325 1105663617 /nfs/dbraw/zinc/66/36/17/1105663617.db2.gz HPISSDMEYFSAQB-JHJVBQTASA-N 0 3 320.399 3.224 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001099303777 1105666602 /nfs/dbraw/zinc/66/66/02/1105666602.db2.gz JGYQCAGHGNDRJR-CYBMUJFWSA-N 0 3 314.420 3.215 20 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/nfs/dbraw/zinc/74/46/18/1105744618.db2.gz DBCNHHASEVAIHG-UONOGXRCSA-N 0 3 311.388 3.097 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@]1(C)CCCN(Cc2ccsc2)C1 ZINC001278658414 1105766281 /nfs/dbraw/zinc/76/62/81/1105766281.db2.gz FRRXROUNSZCNEF-GOSISDBHSA-N 0 3 318.486 3.126 20 30 DGEDHN C=C[C@](C)(O)CN1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001252556908 1105793345 /nfs/dbraw/zinc/79/33/45/1105793345.db2.gz GSKSYMWFXJYMTD-IBGZPJMESA-N 0 3 302.462 3.043 20 30 DGEDHN C=C[C@](C)(O)CN1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001252554701 1105793503 /nfs/dbraw/zinc/79/35/03/1105793503.db2.gz KADXJSAUWMRMTE-YOEHRIQHSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCC[C@@H](O)CN1CCSC[C@H]1c1ccc(OC)cc1 ZINC001252599872 1105800940 /nfs/dbraw/zinc/80/09/40/1105800940.db2.gz MIPLBPQOSIBDNZ-WBVHZDCISA-N 0 3 307.459 3.112 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(Cl)cc(OC)c1OC ZINC001252620294 1105805469 /nfs/dbraw/zinc/80/54/69/1105805469.db2.gz TULUCDDNJYYKQY-DGCLKSJQSA-N 0 3 313.825 3.335 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@](C)(CC)CCC)C1 ZINC001278681358 1105826693 /nfs/dbraw/zinc/82/66/93/1105826693.db2.gz DXPTZXOJONPGQN-RTBURBONSA-N 0 3 306.494 3.444 20 30 DGEDHN CC(C)(C)C#CCNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252769768 1105828922 /nfs/dbraw/zinc/82/89/22/1105828922.db2.gz SCURDXNRMOCVBV-KRWDZBQOSA-N 0 3 317.473 3.363 20 30 DGEDHN COC[C@@H](O)CN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001252818907 1105836816 /nfs/dbraw/zinc/83/68/16/1105836816.db2.gz NNIYTWBNHQXLSI-JXFKEZNVSA-N 0 3 324.424 3.129 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC[C@@H](C)CC)C[C@]2(C)C1 ZINC001101250805 1105903661 /nfs/dbraw/zinc/90/36/61/1105903661.db2.gz MWYNEDIVNZZGDH-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001101249667 1105903682 /nfs/dbraw/zinc/90/36/82/1105903682.db2.gz ICLZSIVLSVBXEJ-LMMKCTJWSA-N 0 3 322.468 3.283 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1ccccc1C(=O)OC ZINC001253246894 1105910931 /nfs/dbraw/zinc/91/09/31/1105910931.db2.gz DHOYMYCLPDPBOX-QGZVFWFLSA-N 0 3 319.445 3.450 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1ccccc1C(=O)OC ZINC001253246893 1105911067 /nfs/dbraw/zinc/91/10/67/1105911067.db2.gz DHOYMYCLPDPBOX-KRWDZBQOSA-N 0 3 319.445 3.450 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H]1Cc2ccccc2NC1=O ZINC001253247853 1105911519 /nfs/dbraw/zinc/91/15/19/1105911519.db2.gz MWPINQQEKQDFHG-WMZOPIPTSA-N 0 3 316.445 3.027 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CCCCC)C[C@]2(C)C1 ZINC001101383399 1105915694 /nfs/dbraw/zinc/91/56/94/1105915694.db2.gz GOUKWOHRZBBLBH-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001254021509 1106010314 /nfs/dbraw/zinc/01/03/14/1106010314.db2.gz KPPSKYKGKLVOFT-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN N#CC1(c2ccc(F)cc2)CCC(N2CCCC23COC3)CC1 ZINC001254355550 1106058753 /nfs/dbraw/zinc/05/87/53/1106058753.db2.gz HUSJQVCWTDHPOD-UHFFFAOYSA-N 0 3 314.404 3.394 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC=CCC2)C1 ZINC001102659816 1106090352 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C=C[C@H](COC)NCc1ccc(Br)c2cccnc12 ZINC001255013103 1106165083 /nfs/dbraw/zinc/16/50/83/1106165083.db2.gz IJDJCEJXNJLPML-GFCCVEGCSA-N 0 3 321.218 3.288 20 30 DGEDHN CC[C@@H](CC#N)NCCc1ccc(OC(=O)C(C)(C)C)cc1 ZINC001255149400 1106190291 /nfs/dbraw/zinc/19/02/91/1106190291.db2.gz IJEYXFGBOSABJR-HNNXBMFYSA-N 0 3 302.418 3.462 20 30 DGEDHN CC[C@H](CC#N)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255155110 1106193348 /nfs/dbraw/zinc/19/33/48/1106193348.db2.gz LKQKGJROXFKFDT-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN CC[C@H](CC#N)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001255172408 1106198161 /nfs/dbraw/zinc/19/81/61/1106198161.db2.gz OVHFPABAXJSKQD-IAGOWNOFSA-N 0 3 317.477 3.087 20 30 DGEDHN CC[C@@H](CC#N)N(CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255178518 1106200159 /nfs/dbraw/zinc/20/01/59/1106200159.db2.gz HLOPTZWGFCJVGJ-GJZGRUSLSA-N 0 3 309.454 3.258 20 30 DGEDHN CCOC(=O)[C@@H]1CCC[C@@H](N2CCc3ccc(C#N)cc3C2)C1 ZINC001255355556 1106232010 /nfs/dbraw/zinc/23/20/10/1106232010.db2.gz 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/nfs/dbraw/zinc/49/90/04/1106499004.db2.gz OHXGRUSBOJNGGR-LJQANCHMSA-N 0 3 324.424 3.234 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257113926 1106541057 /nfs/dbraw/zinc/54/10/57/1106541057.db2.gz KGUJGBCUMYWKIJ-ILXRZTDVSA-N 0 3 309.454 3.446 20 30 DGEDHN CCOC(=O)c1ccc(C[C@H](C)NCc2ccccc2C#N)cc1 ZINC001257148852 1106544437 /nfs/dbraw/zinc/54/44/37/1106544437.db2.gz OQUHAVWRNHHGTJ-HNNXBMFYSA-N 0 3 322.408 3.456 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001279003334 1106555726 /nfs/dbraw/zinc/55/57/26/1106555726.db2.gz WTDIQRMHVRUTQY-YOEHRIQHSA-N 0 3 323.506 3.366 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H](CC)CCCC ZINC001257423875 1106586701 /nfs/dbraw/zinc/58/67/01/1106586701.db2.gz WUHSLEXZRYIJDA-DOTOQJQBSA-N 0 3 305.466 3.491 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H](NCCC#N)C2 ZINC001257788333 1106628402 /nfs/dbraw/zinc/62/84/02/1106628402.db2.gz PLDVYHYUGPJGRX-PBHICJAKSA-N 0 3 307.438 3.059 20 30 DGEDHN C=C1C[C@@H]2CC(NCc3nc(C(=O)OC)cs3)C[C@H](C1)C2 ZINC001257886813 1106640901 /nfs/dbraw/zinc/64/09/01/1106640901.db2.gz FEVMQXRTARGLPI-FUNVUKJBSA-N 0 3 306.431 3.154 20 30 DGEDHN C=C1C[C@@H]2CC(N3CCN(C(=O)C4CCC4)CC3)C[C@H](C1)C2 ZINC001257895551 1106643150 /nfs/dbraw/zinc/64/31/50/1106643150.db2.gz SYOCRVKYOKKZKJ-BYICEURKSA-N 0 3 302.462 3.066 20 30 DGEDHN CCCCCCC[C@H](C)N1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001258047660 1106664142 /nfs/dbraw/zinc/66/41/42/1106664142.db2.gz NJSFAOBUSOACEC-PKOBYXMFSA-N 0 3 324.509 3.449 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001279097577 1106736294 /nfs/dbraw/zinc/73/62/94/1106736294.db2.gz RRWJISZEWLJBAT-JKSUJKDBSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(CCC)cc1)C1CC1 ZINC001316920572 1106766112 /nfs/dbraw/zinc/76/61/12/1106766112.db2.gz NYDHGHQOILGEOG-UHFFFAOYSA-N 0 3 312.457 3.247 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1cc(C)cc(C)c1 ZINC001320034127 1106803855 /nfs/dbraw/zinc/80/38/55/1106803855.db2.gz PYDOUNJPGGKUHO-UHFFFAOYSA-N 0 3 302.462 3.406 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(Cc2ccccc2F)CC1 ZINC001320057321 1106828689 /nfs/dbraw/zinc/82/86/89/1106828689.db2.gz CVLGMDUNCNJDEW-UHFFFAOYSA-N 0 3 318.436 3.115 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001316976158 1106836720 /nfs/dbraw/zinc/83/67/20/1106836720.db2.gz PJLHLGOTVYPCNM-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001316981180 1106843350 /nfs/dbraw/zinc/84/33/50/1106843350.db2.gz SHIBRGRVSJHVFN-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC)c(COCC)c2)C1 ZINC001320091651 1106863295 /nfs/dbraw/zinc/86/32/95/1106863295.db2.gz JWGYEHFWZSKTKV-QGZVFWFLSA-N 0 3 305.418 3.009 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001317026343 1106916149 /nfs/dbraw/zinc/91/61/49/1106916149.db2.gz ZLYXXPJVZJRJGH-GFCCVEGCSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCC[C@@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001258728416 1106935329 /nfs/dbraw/zinc/93/53/29/1106935329.db2.gz OTFAKRFWFHWGJE-CVEARBPZSA-N 0 3 304.482 3.455 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)OC ZINC001317048058 1106949716 /nfs/dbraw/zinc/94/97/16/1106949716.db2.gz CRKYXQNAILBTTI-WNRNVDISSA-N 0 3 322.493 3.077 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001320324998 1106961239 /nfs/dbraw/zinc/96/12/39/1106961239.db2.gz LLEAYCWOKHXROI-SKDZVZGDSA-N 0 3 319.424 3.309 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001317076058 1106971702 /nfs/dbraw/zinc/97/17/02/1106971702.db2.gz LPBPUXPBZIEJHD-SHTZXODSSA-N 0 3 318.848 3.126 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)CC1 ZINC001317087625 1106982840 /nfs/dbraw/zinc/98/28/40/1106982840.db2.gz NLQCKOBMGMMJAA-JOCQHMNTSA-N 0 3 317.260 3.289 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001317176143 1107091233 /nfs/dbraw/zinc/09/12/33/1107091233.db2.gz JWGDMKWNFWINFO-HOTGVXAUSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1ccccc1C ZINC001317176690 1107094955 /nfs/dbraw/zinc/09/49/55/1107094955.db2.gz CQAYINIPDQZFLI-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCc1ccc(F)cc1 ZINC001317178339 1107099423 /nfs/dbraw/zinc/09/94/23/1107099423.db2.gz LTCFELMSYQVDSH-GOSISDBHSA-N 0 3 318.436 3.305 20 30 DGEDHN CN(C)c1ccccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC001320690221 1107107174 /nfs/dbraw/zinc/10/71/74/1107107174.db2.gz NTAPYQIYAGHUMZ-UHFFFAOYSA-N 0 3 305.425 3.466 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC001317200213 1107117945 /nfs/dbraw/zinc/11/79/45/1107117945.db2.gz IZBPEWPFSGYCNV-AEFFLSMTSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)c1ccccc1CC(C)(C)C ZINC001317246053 1107170600 /nfs/dbraw/zinc/17/06/00/1107170600.db2.gz FHHQPBHVXROBOE-HNNXBMFYSA-N 0 3 300.446 3.006 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2ccc(Cl)nc2)CC1 ZINC001317266018 1107187416 /nfs/dbraw/zinc/18/74/16/1107187416.db2.gz PQIJKQIOVYTOHZ-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC001317360924 1107263213 /nfs/dbraw/zinc/26/32/13/1107263213.db2.gz ZXAGAYBHMSHREH-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H](C)C2CC2)cc1 ZINC001317368811 1107272618 /nfs/dbraw/zinc/27/26/18/1107272618.db2.gz GGRRTDKSIYVTKD-AWEZNQCLSA-N 0 3 320.864 3.234 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001321231182 1107295464 /nfs/dbraw/zinc/29/54/64/1107295464.db2.gz HDLYEKPKJSIUTR-QULHZPMSSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C/CNCc2cccc(C#N)c2)CC1 ZINC001321234472 1107296352 /nfs/dbraw/zinc/29/63/52/1107296352.db2.gz XLRSIDQZNJGRRR-NSCUHMNNSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc(Cl)cc1 ZINC001317413090 1107335597 /nfs/dbraw/zinc/33/55/97/1107335597.db2.gz URKRMKDTXCYJKP-LBPRGKRZSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)cc1Cl ZINC001317408655 1107327533 /nfs/dbraw/zinc/32/75/33/1107327533.db2.gz LXJFRRBHCHGDBN-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN CCC[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001321478332 1107360579 /nfs/dbraw/zinc/36/05/79/1107360579.db2.gz HHHATNPBJLDSPP-HUUCEWRRSA-N 0 3 320.864 3.222 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CCCCC2)C1 ZINC001261256264 1107378490 /nfs/dbraw/zinc/37/84/90/1107378490.db2.gz XJCNHUWQTVBPNI-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCc2ccc3c(c2)COC3)C1 ZINC001321623276 1107394596 /nfs/dbraw/zinc/39/45/96/1107394596.db2.gz YCBYSZJDCDWUOY-UHFFFAOYSA-N 0 3 304.393 3.430 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1ccc(OC)c(F)c1 ZINC001321861343 1107451470 /nfs/dbraw/zinc/45/14/70/1107451470.db2.gz ZNEALZFBMORADF-ZDUSSCGKSA-N 0 3 322.424 3.031 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001321955953 1107472708 /nfs/dbraw/zinc/47/27/08/1107472708.db2.gz KGTGEHWPLFATRA-GJZGRUSLSA-N 0 3 304.409 3.175 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001321978983 1107477123 /nfs/dbraw/zinc/47/71/23/1107477123.db2.gz UHQXEKOQINOIGI-STQMWFEESA-N 0 3 322.399 3.476 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001317534349 1107496113 /nfs/dbraw/zinc/49/61/13/1107496113.db2.gz QSMTYBPCMBCHLD-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1ccc(-c2ccncc2)cc1F ZINC001261789529 1107528807 /nfs/dbraw/zinc/52/88/07/1107528807.db2.gz GQZPVTMMDYOIKE-SFHVURJKSA-N 0 3 312.388 3.406 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C)c(C)c1Cl)C1CC1 ZINC001317558074 1107535753 /nfs/dbraw/zinc/53/57/53/1107535753.db2.gz DGORYOUVGLQHBB-UHFFFAOYSA-N 0 3 306.837 3.337 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C1CC1 ZINC001317559366 1107539934 /nfs/dbraw/zinc/53/99/34/1107539934.db2.gz XHSHXJUROZIBCT-PIIMJCKOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1 ZINC001317560942 1107543004 /nfs/dbraw/zinc/54/30/04/1107543004.db2.gz DFNAWIVMSLETOO-ZWKOTPCHSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001322223206 1107576128 /nfs/dbraw/zinc/57/61/28/1107576128.db2.gz KEPMHPALGSJVLY-GJZGRUSLSA-N 0 3 306.425 3.365 20 30 DGEDHN CC(C)CC(C)(C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001317650728 1107580013 /nfs/dbraw/zinc/58/00/13/1107580013.db2.gz NMYGDLVQVURHNP-UHFFFAOYSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1ccc(F)cn1)C(C)C ZINC001317698796 1107609611 /nfs/dbraw/zinc/60/96/11/1107609611.db2.gz PEMWUPPTAFOCHX-UHFFFAOYSA-N 0 3 321.440 3.150 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cnc(C)s1)c1ccccc1 ZINC001317714976 1107618302 /nfs/dbraw/zinc/61/83/02/1107618302.db2.gz KEWZOAMJYNZMLO-OAHLLOKOSA-N 0 3 315.442 3.088 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CC[C@@H]1CCc2ccccc21 ZINC001322306594 1107624285 /nfs/dbraw/zinc/62/42/85/1107624285.db2.gz MQSXLIMRFKOOAV-WBVHZDCISA-N 0 3 300.446 3.119 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2ccccc2C)C1 ZINC001317758925 1107643512 /nfs/dbraw/zinc/64/35/12/1107643512.db2.gz MGTIKUFKFHVNEJ-FQEVSTJZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001317771328 1107655830 /nfs/dbraw/zinc/65/58/30/1107655830.db2.gz YUVALCHAHIDCIS-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)C1CCCC1 ZINC001322548766 1107703284 /nfs/dbraw/zinc/70/32/84/1107703284.db2.gz INSYCDGVXAOVPA-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN[C@H](C)c1cc(F)ccc1F ZINC001322484320 1107686870 /nfs/dbraw/zinc/68/68/70/1107686870.db2.gz YECASORKAZZSRF-CQSZACIVSA-N 0 3 322.399 3.267 20 30 DGEDHN CCCCC(=O)N1CC[C@@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001317826164 1107692704 /nfs/dbraw/zinc/69/27/04/1107692704.db2.gz HVLOROXHENNGGF-AWEZNQCLSA-N 0 3 319.474 3.090 20 30 DGEDHN C#CCCCC(=O)N(Cc1ccccc1)[C@H]1CCCN(CC)C1 ZINC001317864741 1107721023 /nfs/dbraw/zinc/72/10/23/1107721023.db2.gz WZBUUIRULHYJOT-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001323065779 1107822134 /nfs/dbraw/zinc/82/21/34/1107822134.db2.gz WJIILAPZNDFLBE-IEBWSBKVSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)oc(C)c1C ZINC001318205133 1107897553 /nfs/dbraw/zinc/89/75/53/1107897553.db2.gz CBUMLYQHPINVNF-DQYPLSBCSA-N 0 3 316.445 3.458 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(F)F)c1 ZINC001318225267 1107907108 /nfs/dbraw/zinc/90/71/08/1107907108.db2.gz WGCLQXVTKJMCPR-HOTGVXAUSA-N 0 3 320.383 3.489 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001318334328 1107948400 /nfs/dbraw/zinc/94/84/00/1107948400.db2.gz WXUABZWDHSWTAM-GOSISDBHSA-N 0 3 323.440 3.282 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001323351992 1107948943 /nfs/dbraw/zinc/94/89/43/1107948943.db2.gz KOAMKKXGCAXTTA-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC001263145252 1107959581 /nfs/dbraw/zinc/95/95/81/1107959581.db2.gz MFLCPPMREGIOSH-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001318401029 1107981940 /nfs/dbraw/zinc/98/19/40/1107981940.db2.gz YIUKTRRZJAQLHA-HXUWFJFHSA-N 0 3 324.468 3.012 20 30 DGEDHN CCC[C@](C)(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC001263246230 1107987855 /nfs/dbraw/zinc/98/78/55/1107987855.db2.gz JUJMILHTGXMRFR-WMZOPIPTSA-N 0 3 301.434 3.229 20 30 DGEDHN CC(C)(C#N)c1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc1 ZINC001323555262 1108010461 /nfs/dbraw/zinc/01/04/61/1108010461.db2.gz BDUPGYUORNNWHA-MRXNPFEDSA-N 0 3 322.412 3.347 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC001263374037 1108029510 /nfs/dbraw/zinc/02/95/10/1108029510.db2.gz YURACEQODANQKO-YWGZHDIYSA-N 0 3 318.373 3.283 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCC2CCOCC2)c([O-])c1 ZINC001318479775 1108037369 /nfs/dbraw/zinc/03/73/69/1108037369.db2.gz LJJSHMUNOXNFLL-XMHGGMMESA-N 0 3 304.434 3.474 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCCC)C1 ZINC001323639193 1108038124 /nfs/dbraw/zinc/03/81/24/1108038124.db2.gz YGJGDWRHYLSPHR-MSOLQXFVSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1c(C)nsc1C ZINC001318554444 1108092071 /nfs/dbraw/zinc/09/20/71/1108092071.db2.gz HVAJEVFZWALEJM-CQSZACIVSA-N 0 3 323.506 3.347 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001323834842 1108097986 /nfs/dbraw/zinc/09/79/86/1108097986.db2.gz DYWDIYCQIWEBCI-DLBZAZTESA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCCC(=O)N1CC[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC001323842756 1108099597 /nfs/dbraw/zinc/09/95/97/1108099597.db2.gz AQRLJQOFGPTXQF-IBGZPJMESA-N 0 3 316.420 3.216 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2cc(F)cc(F)c2)C1 ZINC001318571139 1108104533 /nfs/dbraw/zinc/10/45/33/1108104533.db2.gz VNPNEKVPLXGUGN-INIZCTEOSA-N 0 3 322.399 3.306 20 30 DGEDHN CCO[C@H](C(=O)C(C#N)c1ncc(Cl)n1C)c1ccccc1 ZINC001263616184 1108110779 /nfs/dbraw/zinc/11/07/79/1108110779.db2.gz PUJOGLVHISBPDB-WFASDCNBSA-N 0 3 317.776 3.028 20 30 DGEDHN C/C=C(\C)C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001318622652 1108128641 /nfs/dbraw/zinc/12/86/41/1108128641.db2.gz AEYHNTXLWOJWRY-IJUHEHPCSA-N 0 3 310.441 3.023 20 30 DGEDHN C(=NNCC1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC001318641869 1108135636 /nfs/dbraw/zinc/13/56/36/1108135636.db2.gz QRWQZHDTPLDAAI-UHFFFAOYSA-N 0 3 301.434 3.027 20 30 DGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC001324022676 1108149504 /nfs/dbraw/zinc/14/95/04/1108149504.db2.gz RRHCQVUPEQPNEU-ZFWWWQNUSA-N 0 3 305.422 3.068 20 30 DGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC001324022589 1108149743 /nfs/dbraw/zinc/14/97/43/1108149743.db2.gz RIRJAMFYJQUEQH-JQWIXIFHSA-N 0 3 314.223 3.309 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)Cc2ccc(C)o2)C1 ZINC001318787371 1108196849 /nfs/dbraw/zinc/19/68/49/1108196849.db2.gz FGTGURUAKBPNLP-HNNXBMFYSA-N 0 3 324.852 3.101 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001263808636 1108217275 /nfs/dbraw/zinc/21/72/75/1108217275.db2.gz BOOMJGJMJINYKP-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001263836680 1108244681 /nfs/dbraw/zinc/24/46/81/1108244681.db2.gz HVXMKRSYFYSLRP-VNHYZAJKSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001263848231 1108254165 /nfs/dbraw/zinc/25/41/65/1108254165.db2.gz LVVWMBXWCNPKKX-KFWWJZLASA-N 0 3 300.874 3.296 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001324335108 1108254429 /nfs/dbraw/zinc/25/44/29/1108254429.db2.gz PLCOQGRLSYTBQJ-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001324340039 1108258121 /nfs/dbraw/zinc/25/81/21/1108258121.db2.gz OYJFASBJVIOOCU-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001324364419 1108266977 /nfs/dbraw/zinc/26/69/77/1108266977.db2.gz GYNCYNWNYDDICB-YLJYHZDGSA-N 0 3 324.468 3.077 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)CCCC2CCCC2)cc1 ZINC001319008369 1108274072 /nfs/dbraw/zinc/27/40/72/1108274072.db2.gz CKPWCMHSNLDNMZ-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)c2ccccc2)cc1 ZINC001319007257 1108274388 /nfs/dbraw/zinc/27/43/88/1108274388.db2.gz YNXSYQODMSKLPT-QGZVFWFLSA-N 0 3 320.436 3.219 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCc2ccccc2)C1 ZINC001263927454 1108298519 /nfs/dbraw/zinc/29/85/19/1108298519.db2.gz HSMSKTKTLZIUHH-DLBZAZTESA-N 0 3 320.864 3.246 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001324557721 1108339568 /nfs/dbraw/zinc/33/95/68/1108339568.db2.gz TVVGIOIQYBVETJ-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN([C@H]2CCc3c2cccc3F)C1 ZINC001324591542 1108362663 /nfs/dbraw/zinc/36/26/63/1108362663.db2.gz ZUPABHICIOAHIU-PKOBYXMFSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN([C@H]2CCc3c2cccc3F)C1 ZINC001324591539 1108364129 /nfs/dbraw/zinc/36/41/29/1108364129.db2.gz ZUPABHICIOAHIU-HKUYNNGSSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCCc2ccccc2Cl)C1 ZINC001324620677 1108379469 /nfs/dbraw/zinc/37/94/69/1108379469.db2.gz SSMHFLJFUHIODO-SFHVURJKSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001319241772 1108381607 /nfs/dbraw/zinc/38/16/07/1108381607.db2.gz JBYBNJZXYLFOHX-LAPSENCUSA-N 0 3 307.265 3.250 20 30 DGEDHN C=C1CCC(C(=O)N[C@@]2(C)CCN(CCOCCCC)C2)CC1 ZINC001324646124 1108399068 /nfs/dbraw/zinc/39/90/68/1108399068.db2.gz GYWXJJYNQMGXCO-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCC(=O)N1CCC2(CN(Cc3ccccc3C)C2)CC1 ZINC001319394348 1108444393 /nfs/dbraw/zinc/44/43/93/1108444393.db2.gz FXOSVYOTNZRMCR-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C=CCOCC(=O)N(C)[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC001319431982 1108464113 /nfs/dbraw/zinc/46/41/13/1108464113.db2.gz YLODVJPFFGFDAD-UONOGXRCSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC2(CC2)C1 ZINC001264372736 1108483479 /nfs/dbraw/zinc/48/34/79/1108483479.db2.gz LOIVLIZVAFJHTC-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC001324875879 1108491253 /nfs/dbraw/zinc/49/12/53/1108491253.db2.gz CEZVZDRIFVAOST-DLBZAZTESA-N 0 3 316.489 3.076 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001264382283 1108495722 /nfs/dbraw/zinc/49/57/22/1108495722.db2.gz IKYPARUQONOPMU-QAPCUYQASA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001319512483 1108500702 /nfs/dbraw/zinc/50/07/02/1108500702.db2.gz VEPTZICUWWETOX-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001264433856 1108530936 /nfs/dbraw/zinc/53/09/36/1108530936.db2.gz QQJDONZLVMYSEJ-HAQNSBGRSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC001325118459 1108579660 /nfs/dbraw/zinc/57/96/60/1108579660.db2.gz VWPOFJFFPKTPJA-QGZVFWFLSA-N 0 3 315.392 3.003 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2c(F)cccc2F)[C@H](C)C1 ZINC001319673681 1108589030 /nfs/dbraw/zinc/58/90/30/1108589030.db2.gz LGKBWXIWTUDXQN-DYVFJYSZSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001264650454 1108602352 /nfs/dbraw/zinc/60/23/52/1108602352.db2.gz RECUGBRBRZCRQX-SJORKVTESA-N 0 3 318.486 3.385 20 30 DGEDHN C[C@H]1C[C@@H]1C(=O)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001264679594 1108615161 /nfs/dbraw/zinc/61/51/61/1108615161.db2.gz HXQXGNLHXFHFMM-IHPCNDPISA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCC)c(OCC)c2)C1 ZINC001325298846 1108616603 /nfs/dbraw/zinc/61/66/03/1108616603.db2.gz HLPTWBYNDMOKBH-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001325338085 1108626041 /nfs/dbraw/zinc/62/60/41/1108626041.db2.gz AAQGPKLRFNSMKF-YNFVQQKASA-N 0 3 322.880 3.476 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001325338084 1108627114 /nfs/dbraw/zinc/62/71/14/1108627114.db2.gz AAQGPKLRFNSMKF-PRLGKBNASA-N 0 3 322.880 3.476 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001325364772 1108633399 /nfs/dbraw/zinc/63/33/99/1108633399.db2.gz ZIFOSNMJKFEDJV-LJQANCHMSA-N 0 3 316.489 3.317 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001325364770 1108635343 /nfs/dbraw/zinc/63/53/43/1108635343.db2.gz ZIFOSNMJKFEDJV-IBGZPJMESA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1CC ZINC001325366354 1108635355 /nfs/dbraw/zinc/63/53/55/1108635355.db2.gz MVFZQIUWNHNIOZ-KBAYOESNSA-N 0 3 300.446 3.228 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1CC ZINC001325367792 1108636405 /nfs/dbraw/zinc/63/64/05/1108636405.db2.gz ZJKVQZBOBKRWOE-ZWKOTPCHSA-N 0 3 318.436 3.013 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CCC)CCC2)CC(C)(C)C1 ZINC001264753230 1108650498 /nfs/dbraw/zinc/65/04/98/1108650498.db2.gz DHOAAFTVAYOFCW-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1cncc(F)c1)C(C)C ZINC001319913911 1108692761 /nfs/dbraw/zinc/69/27/61/1108692761.db2.gz ACJUNSYAKQFJSF-INIZCTEOSA-N 0 3 321.440 3.053 20 30 DGEDHN C[C@H](NCc1cccc(OCC#N)c1)c1ccc(OCC#N)cc1 ZINC001319951473 1108711370 /nfs/dbraw/zinc/71/13/70/1108711370.db2.gz MGCIROOQPRFABO-HNNXBMFYSA-N 0 3 321.380 3.342 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)cc(C)c1)C(C)C ZINC001319957935 1108715478 /nfs/dbraw/zinc/71/54/78/1108715478.db2.gz UAMJCJQWEWURCC-MRXNPFEDSA-N 0 3 308.853 3.400 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001265058116 1108715599 /nfs/dbraw/zinc/71/55/99/1108715599.db2.gz IWZWFBHVIYNFCS-UHFFFAOYSA-N 0 3 320.864 3.368 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001265208357 1108777913 /nfs/dbraw/zinc/77/79/13/1108777913.db2.gz SGYJLMDGHWBQTH-INIZCTEOSA-N 0 3 321.465 3.456 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001265222824 1108785394 /nfs/dbraw/zinc/78/53/94/1108785394.db2.gz LMKFSPMJWKOGCD-HIFRSBDPSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001265286348 1108805870 /nfs/dbraw/zinc/80/58/70/1108805870.db2.gz SVKRWVDGXRAMLX-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccccc2Cl)C1 ZINC001265287976 1108808136 /nfs/dbraw/zinc/80/81/36/1108808136.db2.gz LGNXCDLXSBZCRJ-MRXNPFEDSA-N 0 3 320.864 3.429 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001265298817 1108811990 /nfs/dbraw/zinc/81/19/90/1108811990.db2.gz CFQSTUNGKXPHEO-HXUWFJFHSA-N 0 3 324.468 3.059 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001265303454 1108816082 /nfs/dbraw/zinc/81/60/82/1108816082.db2.gz IOTSCWLFKCXBSQ-DOTOQJQBSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001265312731 1108821752 /nfs/dbraw/zinc/82/17/52/1108821752.db2.gz UMOMMHJHLYBTKS-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CC)CCCC)CC1 ZINC001265323903 1108827615 /nfs/dbraw/zinc/82/76/15/1108827615.db2.gz PIIIXBDBJBMJKA-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001265329393 1108829094 /nfs/dbraw/zinc/82/90/94/1108829094.db2.gz FMPHIUZGUDZQGW-LHRNQBEKSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001265332721 1108830251 /nfs/dbraw/zinc/83/02/51/1108830251.db2.gz ZSGXJHSCDWRDHM-MSOLQXFVSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)CCCCC)CC1 ZINC001265335904 1108831004 /nfs/dbraw/zinc/83/10/04/1108831004.db2.gz KSDXIXZOVDCDQC-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCOCCN1CCC(N(CCC)C(=O)CC(C)(C)C)CC1 ZINC001265335689 1108831386 /nfs/dbraw/zinc/83/13/86/1108831386.db2.gz DSRNQYJFCJIKPH-UHFFFAOYSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ocnc2CC)CC1 ZINC001265341418 1108834185 /nfs/dbraw/zinc/83/41/85/1108834185.db2.gz QCNXQNOPTQHKGB-UHFFFAOYSA-N 0 3 319.449 3.130 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1cc(Cl)ccc1F)C1CC1 ZINC001265348242 1108838397 /nfs/dbraw/zinc/83/83/97/1108838397.db2.gz OLFYJFYEKJZSEL-INIZCTEOSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1scnc1C)C1CC1 ZINC001265365984 1108846045 /nfs/dbraw/zinc/84/60/45/1108846045.db2.gz HJMHPBUQTSFTFH-CQSZACIVSA-N 0 3 321.490 3.038 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC001265384885 1108854698 /nfs/dbraw/zinc/85/46/98/1108854698.db2.gz RMFYMZNMPOLWJS-HXUWFJFHSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001265411489 1108866243 /nfs/dbraw/zinc/86/62/43/1108866243.db2.gz MEYRLQSDJBXLIP-YESZJQIVSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001265535493 1108902629 /nfs/dbraw/zinc/90/26/29/1108902629.db2.gz KQEFZBCETCKEEG-AEGPPILISA-N 0 3 320.383 3.066 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001265544683 1108904560 /nfs/dbraw/zinc/90/45/60/1108904560.db2.gz OFUNTRNDSDDSEU-WZDWLKHJSA-N 0 3 318.848 3.165 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001265559158 1108908991 /nfs/dbraw/zinc/90/89/91/1108908991.db2.gz HJUXKRUXPKJSCI-OKILXGFUSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CCCCN1CC=C(C)C)OCC ZINC001265648087 1108948190 /nfs/dbraw/zinc/94/81/90/1108948190.db2.gz XSORPQQXBBUEHE-QZTJIDSGSA-N 0 3 322.493 3.295 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C[C@H]1CCCCO1 ZINC001265648888 1108949231 /nfs/dbraw/zinc/94/92/31/1108949231.db2.gz IWYQTKIMDKKGFN-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001265654041 1108951764 /nfs/dbraw/zinc/95/17/64/1108951764.db2.gz MKXBFVKRUUKGAL-ZVDOUQERSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001265703683 1108975398 /nfs/dbraw/zinc/97/53/98/1108975398.db2.gz SOIHVVQEHIMAJR-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001265703684 1108975420 /nfs/dbraw/zinc/97/54/20/1108975420.db2.gz SOIHVVQEHIMAJR-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001265706736 1108978115 /nfs/dbraw/zinc/97/81/15/1108978115.db2.gz YWNBYOPLVBGBRL-IRZHHCKBSA-N 0 3 310.869 3.149 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001265778975 1109001762 /nfs/dbraw/zinc/00/17/62/1109001762.db2.gz CJQNSVRDLZPPDQ-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001265987716 1109056850 /nfs/dbraw/zinc/05/68/50/1109056850.db2.gz DWIQSZWBUOIKBL-STQMWFEESA-N 0 3 312.866 3.473 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccccn1 ZINC001266006657 1109061883 /nfs/dbraw/zinc/06/18/83/1109061883.db2.gz NNSVEGSGXMDQDK-WMZOPIPTSA-N 0 3 315.461 3.297 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1ccccn1 ZINC001266070089 1109079608 /nfs/dbraw/zinc/07/96/08/1109079608.db2.gz NBMXCTRJIOSKNI-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(C(F)F)cc1)C1CC1 ZINC001266164179 1109111922 /nfs/dbraw/zinc/11/19/22/1109111922.db2.gz 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CCC[C@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001280471226 1109209338 /nfs/dbraw/zinc/20/93/38/1109209338.db2.gz ORDAUCCKZUVBQB-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001316605419 1109241698 /nfs/dbraw/zinc/24/16/98/1109241698.db2.gz KJPGNXXXFNEZFA-CYBMUJFWSA-N 0 3 312.360 3.330 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC001280756989 1109249134 /nfs/dbraw/zinc/24/91/34/1109249134.db2.gz ROVYXYKFMQDBQS-MAUKXSAKSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2ccns2)[C@@H](C)C1 ZINC001281676710 1109394911 /nfs/dbraw/zinc/39/49/11/1109394911.db2.gz QIYFUVAAVGAGKU-GJZGRUSLSA-N 0 3 321.490 3.011 20 30 DGEDHN C=C(C)CN1CCC(CO)(NC(=O)CCCCC(C)(C)C)CC1 ZINC001281809459 1109409154 /nfs/dbraw/zinc/40/91/54/1109409154.db2.gz YSQALKOHHHGXOI-UHFFFAOYSA-N 0 3 324.509 3.112 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001281841197 1109410308 /nfs/dbraw/zinc/41/03/08/1109410308.db2.gz 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C=C(C)CN1CC([C@H](C)NC(=O)CCCc2ccccc2)C1 ZINC001282735628 1109557961 /nfs/dbraw/zinc/55/79/61/1109557961.db2.gz QHTMERGGWYOVBY-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001282734397 1109558195 /nfs/dbraw/zinc/55/81/95/1109558195.db2.gz OGDVXZGPIAXLBB-QGZVFWFLSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001282745654 1109562090 /nfs/dbraw/zinc/56/20/90/1109562090.db2.gz VYJACZJNBDFTEA-KBPBESRZSA-N 0 3 320.864 3.456 20 30 DGEDHN Cc1ccc(C)c(CN2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)c1 ZINC001282799992 1109567614 /nfs/dbraw/zinc/56/76/14/1109567614.db2.gz HKDRJAZMTGCOPO-LJQANCHMSA-N 0 3 324.468 3.043 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001282812485 1109569068 /nfs/dbraw/zinc/56/90/68/1109569068.db2.gz OCOUWWHXJXIPQQ-LPHOPBHVSA-N 0 3 322.493 3.008 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2oncc2C)C(C)(C)C1 ZINC001282834467 1109573018 /nfs/dbraw/zinc/57/30/18/1109573018.db2.gz 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1111787732 /nfs/dbraw/zinc/78/77/32/1111787732.db2.gz IVNKRVDSYFOLOT-UKRRQHHQSA-N 0 3 310.825 3.313 20 30 DGEDHN CC[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000278356341 214112267 /nfs/dbraw/zinc/11/22/67/214112267.db2.gz BCDBMVQWBMZRRT-SJORKVTESA-N 0 3 300.402 3.285 20 30 DGEDHN N#CC(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1 ZINC000095559582 185380096 /nfs/dbraw/zinc/38/00/96/185380096.db2.gz ARJFPJPBYJCZTA-UHFFFAOYSA-N 0 3 320.436 3.343 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000278631007 214288051 /nfs/dbraw/zinc/28/80/51/214288051.db2.gz YATIWEAPJFALSE-QZTJIDSGSA-N 0 3 316.445 3.448 20 30 DGEDHN C=CC[C@H]1N(Cc2ccc(C(=O)N(C)C)[nH]2)CCCC1(C)C ZINC000278687073 214327386 /nfs/dbraw/zinc/32/73/86/214327386.db2.gz MNOFDDHWQKQTHW-MRXNPFEDSA-N 0 3 303.450 3.283 20 30 DGEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000453264915 536645926 /nfs/dbraw/zinc/64/59/26/536645926.db2.gz JARSABJEMJJWDJ-AZUAARDMSA-N 0 3 306.409 3.393 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cccs1 ZINC000347653000 529648935 /nfs/dbraw/zinc/64/89/35/529648935.db2.gz QOSWNPDBHYTRBY-HEHGZKQESA-N 0 3 307.463 3.232 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000346515635 529663914 /nfs/dbraw/zinc/66/39/14/529663914.db2.gz BXKCHXSZSVQJBX-DOMZBBRYSA-N 0 3 319.836 3.332 20 30 DGEDHN N#Cc1ccc(CNCCc2nnc(-c3ccccc3)o2)s1 ZINC000129442666 432005770 /nfs/dbraw/zinc/00/57/70/432005770.db2.gz GVDIGNSNLWEYEK-UHFFFAOYSA-N 0 3 310.382 3.002 20 30 DGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@H](CC)N(CC)CC)cc1 ZINC000345755019 529701925 /nfs/dbraw/zinc/70/19/25/529701925.db2.gz FEBDIQBCXUTTBE-SJORKVTESA-N 0 3 301.434 3.050 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cccc(O)c1 ZINC000181579746 199320815 /nfs/dbraw/zinc/32/08/15/199320815.db2.gz YCJOPZHQATWSQC-ZDUSSCGKSA-N 0 3 312.369 3.002 20 30 DGEDHN CCN(CCO[C@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655232 199334284 /nfs/dbraw/zinc/33/42/84/199334284.db2.gz JXZRJKLTRJSNQC-YJBOKZPZSA-N 0 3 302.418 3.484 20 30 DGEDHN CN(CC[C@H]1CCCO1)Cc1cccc(OCCCC#N)c1 ZINC000343459547 529932331 /nfs/dbraw/zinc/93/23/31/529932331.db2.gz DOTVTOBAHCBTKU-QGZVFWFLSA-N 0 3 302.418 3.370 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000103468910 432009691 /nfs/dbraw/zinc/00/96/91/432009691.db2.gz HHDVQVPLFATDEE-QGZVFWFLSA-N 0 3 308.385 3.052 20 30 DGEDHN CC(C)(C#N)CCCCNC(C)(C)c1nnc2n1CCCC2 ZINC000451406037 534979993 /nfs/dbraw/zinc/97/99/93/534979993.db2.gz SBNFVKSNCIQGFO-UHFFFAOYSA-N 0 3 303.454 3.159 20 30 DGEDHN Cc1cccnc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181720271 199343979 /nfs/dbraw/zinc/34/39/79/199343979.db2.gz MFPQBEFQWPQDNX-UHFFFAOYSA-N 0 3 320.440 3.016 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000105487561 432018449 /nfs/dbraw/zinc/01/84/49/432018449.db2.gz YSWQDCGWUWITRP-CQSZACIVSA-N 0 3 323.396 3.398 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2c(F)cccc2F)CC1 ZINC000106036296 432019195 /nfs/dbraw/zinc/01/91/95/432019195.db2.gz IJQIQRJEBXTISD-VOTSOKGWSA-N 0 3 320.383 3.135 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000106274967 432020437 /nfs/dbraw/zinc/02/04/37/432020437.db2.gz CCLYEIUIDKRDBR-JKSUJKDBSA-N 0 3 307.482 3.152 20 30 DGEDHN N#Cc1cc(Br)ccc1NCCN1CCCCC1 ZINC000130429691 185967143 /nfs/dbraw/zinc/96/71/43/185967143.db2.gz XQRZIRFPCRCUQP-UHFFFAOYSA-N 0 3 308.223 3.219 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159590826 186129828 /nfs/dbraw/zinc/12/98/28/186129828.db2.gz JRGVLXNSDKQNKG-HOCLYGCPSA-N 0 3 311.347 3.150 20 30 DGEDHN N#Cc1ccc(CNC2CCN(c3ccccc3)CC2)c(F)c1 ZINC000177859087 186194868 /nfs/dbraw/zinc/19/48/68/186194868.db2.gz PPBDHTATPZFRBG-UHFFFAOYSA-N 0 3 309.388 3.456 20 30 DGEDHN CC(C)n1cc(CNCCSCc2ccccc2C#N)cn1 ZINC000171839958 197993521 /nfs/dbraw/zinc/99/35/21/197993521.db2.gz QFVPBDFUOQNTGB-UHFFFAOYSA-N 0 3 314.458 3.359 20 30 DGEDHN CN(CCC#N)C(=O)CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000131861139 432040829 /nfs/dbraw/zinc/04/08/29/432040829.db2.gz CIRGMMZEJBAMRJ-GOSISDBHSA-N 0 3 317.408 3.019 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1cccc2nccn21 ZINC000179415629 432057439 /nfs/dbraw/zinc/05/74/39/432057439.db2.gz FEIFEFCSZJWKDB-UHFFFAOYSA-N 0 3 322.437 3.229 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](N)c1ccccc1 ZINC000237269802 202211324 /nfs/dbraw/zinc/21/13/24/202211324.db2.gz ABIWZIXRWIUZNN-LJQANCHMSA-N 0 3 324.424 3.300 20 30 DGEDHN Cc1nccn1CCCN(C)Cc1ccc(Cl)cc1C#N ZINC000187309493 200092626 /nfs/dbraw/zinc/09/26/26/200092626.db2.gz JKEJPZUTKLXDPD-UHFFFAOYSA-N 0 3 302.809 3.239 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)CC1 ZINC000189224030 200366409 /nfs/dbraw/zinc/36/64/09/200366409.db2.gz QDPIDGCBHZAFRC-FQEVSTJZSA-N 0 3 324.468 3.259 20 30 DGEDHN Cc1ccccc1CCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428784108 238031226 /nfs/dbraw/zinc/03/12/26/238031226.db2.gz JRKRIYZCHUVFKD-LJQANCHMSA-N 0 3 321.424 3.348 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3CCCC(F)(F)C3)C2)nc1 ZINC000428792428 238031626 /nfs/dbraw/zinc/03/16/26/238031626.db2.gz WHWIZZNYMORDJJ-UKRRQHHQSA-N 0 3 321.371 3.232 20 30 DGEDHN COCc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433216742 238151147 /nfs/dbraw/zinc/15/11/47/238151147.db2.gz BYMMXOROZBTBGL-KRWDZBQOSA-N 0 3 322.408 3.222 20 30 DGEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCCSC1 ZINC000433206365 238151166 /nfs/dbraw/zinc/15/11/66/238151166.db2.gz HJKJOFZOPQPZOV-QGZVFWFLSA-N 0 3 304.459 3.211 20 30 DGEDHN N#CCCn1cc(CNCc2cccs2)c(-c2ccncc2)n1 ZINC000433306171 238154427 /nfs/dbraw/zinc/15/44/27/238154427.db2.gz RQOYFILKGAYYKA-UHFFFAOYSA-N 0 3 323.425 3.210 20 30 DGEDHN CN(C)[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 ZINC000433383320 238157981 /nfs/dbraw/zinc/15/79/81/238157981.db2.gz HGZVEOJTYQGMTA-MSOLQXFVSA-N 0 3 313.445 3.268 20 30 DGEDHN COc1cc(CNCC2([C@@H](O)c3ccccc3)CC2)ccc1C#N ZINC000281460577 216314468 /nfs/dbraw/zinc/31/44/68/216314468.db2.gz AWQRXOLAYFBWNT-IBGZPJMESA-N 0 3 322.408 3.170 20 30 DGEDHN CCCO[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000135063798 432096355 /nfs/dbraw/zinc/09/63/55/432096355.db2.gz GKGFPJITKSJRMY-QGZVFWFLSA-N 0 3 302.418 3.348 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccs1 ZINC000194565789 201253199 /nfs/dbraw/zinc/25/31/99/201253199.db2.gz XUCCPMXJUAXVJW-ZBFHGGJFSA-N 0 3 316.426 3.100 20 30 DGEDHN COc1cccc(OCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000271858123 209273445 /nfs/dbraw/zinc/27/34/45/209273445.db2.gz YVMLRKNVXVVIHU-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC[C@@H]2CCCO2)c1 ZINC000442791295 239124651 /nfs/dbraw/zinc/12/46/51/239124651.db2.gz IWZNIFIEVQNYBZ-NXHRZFHOSA-N 0 3 314.429 3.335 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000442791913 239124935 /nfs/dbraw/zinc/12/49/35/239124935.db2.gz ORGRJVKTIUVFIC-WMZOPIPTSA-N 0 3 311.429 3.095 20 30 DGEDHN Cc1cc(CNCc2ccc3c(c2)OCCCO3)ccc1C#N ZINC000443973036 239243941 /nfs/dbraw/zinc/24/39/41/239243941.db2.gz YTRXQONGXINTKT-UHFFFAOYSA-N 0 3 308.381 3.318 20 30 DGEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C#N)c(C)c1 ZINC000444006917 239249773 /nfs/dbraw/zinc/24/97/73/239249773.db2.gz YLBMXRXIZABWQP-ROUUACIJSA-N 0 3 324.428 3.093 20 30 DGEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000341649004 299342360 /nfs/dbraw/zinc/34/23/60/299342360.db2.gz YORYERBNRPNKLY-KBXCAEBGSA-N 0 3 321.424 3.041 20 30 DGEDHN COc1cc(CN[C@H](CCCO)c2ccccc2)ccc1C#N ZINC000281700964 216484307 /nfs/dbraw/zinc/48/43/07/216484307.db2.gz NUOYJQWDEBTRHQ-GOSISDBHSA-N 0 3 310.397 3.170 20 30 DGEDHN C=C(C)CCNCc1cc(O)c(OC)cc1Br ZINC000449479935 240233854 /nfs/dbraw/zinc/23/38/54/240233854.db2.gz WRLBYRYUVCGNGQ-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2cccnc2)cc1 ZINC000449519090 240263989 /nfs/dbraw/zinc/26/39/89/240263989.db2.gz LDXYMKDUBOZVTK-MOPGFXCFSA-N 0 3 310.397 3.094 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OCC(F)(F)F)c1 ZINC000449522656 240264614 /nfs/dbraw/zinc/26/46/14/240264614.db2.gz VYSVXIIMTBBQJE-KGLIPLIRSA-N 0 3 301.308 3.061 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000451603383 241187142 /nfs/dbraw/zinc/18/71/42/241187142.db2.gz ZBYTUXFFDDOAQC-UAGQMJEPSA-N 0 3 316.445 3.379 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCC12CCCC2 ZINC000451453421 241129394 /nfs/dbraw/zinc/12/93/94/241129394.db2.gz GIMKHICPLBTLPQ-HNNXBMFYSA-N 0 3 317.820 3.463 20 30 DGEDHN C=CCC1(C(=O)NCC2(SC)CCN(C)CC2)CCCC1 ZINC000451848786 241254041 /nfs/dbraw/zinc/25/40/41/241254041.db2.gz JXLIZKNTCNOEKG-UHFFFAOYSA-N 0 3 310.507 3.067 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000268611426 432109679 /nfs/dbraw/zinc/10/96/79/432109679.db2.gz ZOAZUFNBUSFDTH-JKSUJKDBSA-N 0 3 305.418 3.168 20 30 DGEDHN C=CCc1cc(CNCCOC(C)(C)CC)cc(OC)c1O ZINC000453610150 241836806 /nfs/dbraw/zinc/83/68/06/241836806.db2.gz FWSASKGASIBPMR-UHFFFAOYSA-N 0 3 307.434 3.424 20 30 DGEDHN C[C@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCCC[C@H]1C ZINC000455924166 242313952 /nfs/dbraw/zinc/31/39/52/242313952.db2.gz VBCXSNQDLILKKJ-HUUCEWRRSA-N 0 3 314.433 3.137 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000455982095 242322664 /nfs/dbraw/zinc/32/26/64/242322664.db2.gz HPKYPJXAXUZDDD-UHFFFAOYSA-N 0 3 314.433 3.253 20 30 DGEDHN COc1cccc(C2(NCCOc3ccccc3C#N)CC2)c1 ZINC000271755479 209185353 /nfs/dbraw/zinc/18/53/53/209185353.db2.gz ZWFZPCPLRDAICC-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000275205184 212194723 /nfs/dbraw/zinc/19/47/23/212194723.db2.gz BNSWFLGYXYOAIX-OALUTQOASA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458276038 243016625 /nfs/dbraw/zinc/01/66/25/243016625.db2.gz OPHSCSNPXSADBU-UHFFFAOYSA-N 0 3 308.397 3.307 20 30 DGEDHN C=C(CC)CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459084535 243246791 /nfs/dbraw/zinc/24/67/91/243246791.db2.gz ULLLSKNLEVAYNO-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN CCC[C@H]1[C@@H](C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000464730674 243786704 /nfs/dbraw/zinc/78/67/04/243786704.db2.gz DOLOMFPYLJLQOW-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCCCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283697743 335007921 /nfs/dbraw/zinc/00/79/21/335007921.db2.gz RVUNNXUKQITAKB-INIZCTEOSA-N 0 3 321.852 3.045 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472344500 244300074 /nfs/dbraw/zinc/30/00/74/244300074.db2.gz CKJHAUVBLXKWRC-HKUYNNGSSA-N 0 3 312.457 3.140 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)NC1CCC(C)CC1 ZINC000328664894 299402023 /nfs/dbraw/zinc/40/20/23/299402023.db2.gz CAJIEUBOHMRZBF-NMUJTLPQSA-N 0 3 320.477 3.457 20 30 DGEDHN C[C@@H](CCO)N(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000093303012 193226461 /nfs/dbraw/zinc/22/64/61/193226461.db2.gz CMWHFNRYCXKYAF-KRWDZBQOSA-N 0 3 324.424 3.210 20 30 DGEDHN C[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000223328522 296147773 /nfs/dbraw/zinc/14/77/73/296147773.db2.gz QFYSULZSHPHNAF-QWHCGFSZSA-N 0 3 303.406 3.122 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C#N)s1)C(C)C ZINC000487632360 245084296 /nfs/dbraw/zinc/08/42/96/245084296.db2.gz BIZXUJLMIIOSFG-HNNXBMFYSA-N 0 3 317.458 3.048 20 30 DGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000268703575 432123129 /nfs/dbraw/zinc/12/31/29/432123129.db2.gz RTJNFDOJUFRIDE-WBMJQRKESA-N 0 3 315.442 3.358 20 30 DGEDHN CCCCNC(=O)[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246370214 432123673 /nfs/dbraw/zinc/12/36/73/432123673.db2.gz MFHBHTSRQROVIB-QAPCUYQASA-N 0 3 313.445 3.248 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000135140095 335019155 /nfs/dbraw/zinc/01/91/55/335019155.db2.gz OOLSCWFYDOERGN-KXBFYZLASA-N 0 3 315.461 3.326 20 30 DGEDHN COc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)c(C)c1OC ZINC000288482959 220170913 /nfs/dbraw/zinc/17/09/13/220170913.db2.gz PXZWKBRDRGLOEM-ZDUSSCGKSA-N 0 3 313.401 3.073 20 30 DGEDHN CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000493685988 246041198 /nfs/dbraw/zinc/04/11/98/246041198.db2.gz TZBUQOKFOQWZDB-RYQLBKOJSA-N 0 3 313.445 3.279 20 30 DGEDHN CC(C)(C)OC(=O)NCC1CCN(CCC(C)(C)C#N)CC1 ZINC000494122907 246113874 /nfs/dbraw/zinc/11/38/74/246113874.db2.gz FMZVTKRGLVZKLC-UHFFFAOYSA-N 0 3 309.454 3.163 20 30 DGEDHN C[C@@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000494606243 246170186 /nfs/dbraw/zinc/17/01/86/246170186.db2.gz FQZBCUWLBFNXGB-CQSZACIVSA-N 0 3 321.380 3.366 20 30 DGEDHN CC(C)(C)OC(=O)NC1CCC(NCC2(C#N)CCC2)CC1 ZINC000496829073 246447909 /nfs/dbraw/zinc/44/79/09/246447909.db2.gz QLFBMVRIRSDJIE-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN CN1CC=C(CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000273955194 211209338 /nfs/dbraw/zinc/20/93/38/211209338.db2.gz NHYFXTFAEZDDNC-UHFFFAOYSA-N 0 3 312.804 3.434 20 30 DGEDHN N#Cc1cccc(OC2CCN(CCc3ccccn3)CC2)c1 ZINC000104715990 194029402 /nfs/dbraw/zinc/02/94/02/194029402.db2.gz VDOBLFBBVGEYQS-UHFFFAOYSA-N 0 3 307.397 3.039 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@](C)(O)c2cccs2)cc1 ZINC000268997052 207153782 /nfs/dbraw/zinc/15/37/82/207153782.db2.gz NVLVNZFBOHECTO-KDOFPFPSSA-N 0 3 315.438 3.318 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1cccc(C#N)n1 ZINC000270013231 208065559 /nfs/dbraw/zinc/06/55/59/208065559.db2.gz BIQWISOGAKSLBQ-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cn2ccccc2c1C#N ZINC000336875381 253016789 /nfs/dbraw/zinc/01/67/89/253016789.db2.gz FYRTVRPQZHQLSD-NVXWUHKLSA-N 0 3 311.429 3.326 20 30 DGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cn2ccccc2c1C#N ZINC000336875383 253017190 /nfs/dbraw/zinc/01/71/90/253017190.db2.gz FYRTVRPQZHQLSD-WBVHZDCISA-N 0 3 311.429 3.326 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000337811143 253178049 /nfs/dbraw/zinc/17/80/49/253178049.db2.gz LRZNOLUYBBKMFH-HNAYVOBHSA-N 0 3 321.424 3.288 20 30 DGEDHN C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000339000096 253387124 /nfs/dbraw/zinc/38/71/24/253387124.db2.gz ADOPNZGRMUHIGF-QWHCGFSZSA-N 0 3 302.378 3.141 20 30 DGEDHN CC(C#N)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000336722000 533113967 /nfs/dbraw/zinc/11/39/67/533113967.db2.gz VJLKMLPINCNXLH-HNNXBMFYSA-N 0 3 308.381 3.084 20 30 DGEDHN CN(CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1OC(F)F ZINC000342607729 254017534 /nfs/dbraw/zinc/01/75/34/254017534.db2.gz ROEQXFMULSRUQH-AWEZNQCLSA-N 0 3 310.344 3.161 20 30 DGEDHN CC(C)(C#N)CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000157533271 197195444 /nfs/dbraw/zinc/19/54/44/197195444.db2.gz ZVVWAYHATRISRZ-UHFFFAOYSA-N 0 3 303.425 3.273 20 30 DGEDHN N#Cc1ccc(CNCCCOCCc2ccccc2)c(F)c1 ZINC000343486856 254150774 /nfs/dbraw/zinc/15/07/74/254150774.db2.gz XRYWCZKTSAMZFO-UHFFFAOYSA-N 0 3 312.388 3.436 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)c2nccc(C)c2C#N)c1 ZINC000343534394 254157087 /nfs/dbraw/zinc/15/70/87/254157087.db2.gz RKVNOHCUTOTQRT-UHFFFAOYSA-N 0 3 308.429 3.138 20 30 DGEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc2c(c1)CCC(=O)N2 ZINC000343615732 254168299 /nfs/dbraw/zinc/16/82/99/254168299.db2.gz KIINGSKWNSFLRY-LLVKDONJSA-N 0 3 311.410 3.355 20 30 DGEDHN CN(CCCN(C)c1nccc(C#N)c1Cl)Cc1ccco1 ZINC000343822782 254193276 /nfs/dbraw/zinc/19/32/76/254193276.db2.gz ZYWHTKLAGMNLIE-UHFFFAOYSA-N 0 3 318.808 3.158 20 30 DGEDHN CN(CCCN(C)c1ccc(C#N)cc1F)Cc1ccco1 ZINC000343852129 254196536 /nfs/dbraw/zinc/19/65/36/254196536.db2.gz KDOLGWHLGQOZBI-UHFFFAOYSA-N 0 3 301.365 3.249 20 30 DGEDHN CC(C)(C)[C@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344203296 254238594 /nfs/dbraw/zinc/23/85/94/254238594.db2.gz FCILQIFXXOVMIT-RDJZCZTQSA-N 0 3 311.429 3.032 20 30 DGEDHN Cc1cccc(N2CCC(NCc3ccc(C#N)cc3F)CC2)n1 ZINC000344338698 254258993 /nfs/dbraw/zinc/25/89/93/254258993.db2.gz GNDNAPXAVUNUFW-UHFFFAOYSA-N 0 3 324.403 3.159 20 30 DGEDHN CCN(Cc1ccc(C(=O)Nc2ccncc2C#N)cc1)C1CC1 ZINC000344376898 254263944 /nfs/dbraw/zinc/26/39/44/254263944.db2.gz SDUCEYPTTHFTHB-UHFFFAOYSA-N 0 3 320.396 3.190 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@@H](NCc1cc(C#N)cs1)CC2 ZINC000345026790 254324593 /nfs/dbraw/zinc/32/45/93/254324593.db2.gz YHQSPRIVBHIMHJ-AWEZNQCLSA-N 0 3 300.431 3.044 20 30 DGEDHN C[C@@H]1C[C@H](CN2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000495902950 297398947 /nfs/dbraw/zinc/39/89/47/297398947.db2.gz LADRFMXMOTYYQX-GDBMZVCRSA-N 0 3 321.465 3.258 20 30 DGEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000120803586 195241305 /nfs/dbraw/zinc/24/13/05/195241305.db2.gz FUQHOLZEJUNTJW-AAEUAGOBSA-N 0 3 305.447 3.363 20 30 DGEDHN N#Cc1ccccc1CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289557246 221065050 /nfs/dbraw/zinc/06/50/50/221065050.db2.gz UTFJPAQEYUTIEU-LJQANCHMSA-N 0 3 303.409 3.195 20 30 DGEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)OCCc2sccc21 ZINC000289763131 221209498 /nfs/dbraw/zinc/20/94/98/221209498.db2.gz JBYHIDXLXABCDZ-KRWDZBQOSA-N 0 3 316.401 3.337 20 30 DGEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000295014991 224379805 /nfs/dbraw/zinc/37/98/05/224379805.db2.gz PTPIVJXTWGTRIG-LJQANCHMSA-N 0 3 306.409 3.395 20 30 DGEDHN C#C[C@H](CC)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000491307557 533306385 /nfs/dbraw/zinc/30/63/85/533306385.db2.gz QQRLHEOJRGFFMI-GOSISDBHSA-N 0 3 316.408 3.436 20 30 DGEDHN COc1cccc(C(NC(=O)C(C)C#N)c2cccc(OC)c2)c1 ZINC000359770771 533424553 /nfs/dbraw/zinc/42/45/53/533424553.db2.gz STDVTJZEIASRBN-CYBMUJFWSA-N 0 3 324.380 3.069 20 30 DGEDHN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)s1 ZINC000428787370 533629376 /nfs/dbraw/zinc/62/93/76/533629376.db2.gz YFCRFTBBHXBARG-INIZCTEOSA-N 0 3 313.426 3.285 20 30 DGEDHN COc1ccc(CNCCc2ccco2)cc1OCCCC#N ZINC000340411502 533665580 /nfs/dbraw/zinc/66/55/80/533665580.db2.gz JARAJCMXVNQILP-UHFFFAOYSA-N 0 3 314.385 3.303 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000066554209 400098853 /nfs/dbraw/zinc/09/88/53/400098853.db2.gz GJXWEMSJSNUNLP-UHFFFAOYSA-N 0 3 324.396 3.285 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000595104180 400107555 /nfs/dbraw/zinc/10/75/55/400107555.db2.gz QFEPFCFVFHTNGI-AYOQOUSVSA-N 0 3 314.429 3.164 20 30 DGEDHN COc1ccc(CN(C)CCc2ccc(C#N)cc2)c(OC)c1 ZINC000595293038 400118871 /nfs/dbraw/zinc/11/88/71/400118871.db2.gz WLQIGPLGGBMYMX-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN COc1ccc(CN(C)CCc2ccc(C#N)cc2)cc1OC ZINC000595290450 400118928 /nfs/dbraw/zinc/11/89/28/400118928.db2.gz BUPOSEXXODWKQI-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000303792735 400114591 /nfs/dbraw/zinc/11/45/91/400114591.db2.gz VELNQZHMJSRWRE-MSOLQXFVSA-N 0 3 312.457 3.373 20 30 DGEDHN CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000008003875 400115648 /nfs/dbraw/zinc/11/56/48/400115648.db2.gz IZAYFOCVFKYHCD-ROUUACIJSA-N 0 3 319.424 3.167 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000007980949 400116157 /nfs/dbraw/zinc/11/61/57/400116157.db2.gz LPMSFHHFSNGCLC-INIZCTEOSA-N 0 3 322.368 3.153 20 30 DGEDHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC[C@H](C#N)CCC#N ZINC000581657532 400082503 /nfs/dbraw/zinc/08/25/03/400082503.db2.gz XKODAIITHXMRPX-KBPBESRZSA-N 0 3 312.392 3.282 20 30 DGEDHN C[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CCN(C2CC2)C1 ZINC000595508207 400171768 /nfs/dbraw/zinc/17/17/68/400171768.db2.gz VMOLUKJBCOLLAX-GUYCJALGSA-N 0 3 303.837 3.321 20 30 DGEDHN CN(CCc1ccc(C#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000595300691 400122518 /nfs/dbraw/zinc/12/25/18/400122518.db2.gz FKEGYWWMHSQCGH-FQEVSTJZSA-N 0 3 306.409 3.347 20 30 DGEDHN CC(C)(C)OC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595305654 400123685 /nfs/dbraw/zinc/12/36/85/400123685.db2.gz IEXQCJJQPLMKCR-UHFFFAOYSA-N 0 3 314.429 3.154 20 30 DGEDHN C=CC1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000600683129 400129985 /nfs/dbraw/zinc/12/99/85/400129985.db2.gz LKAVDCOGRACTIF-LJQANCHMSA-N 0 3 311.425 3.478 20 30 DGEDHN CC(C)c1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000600734861 400139973 /nfs/dbraw/zinc/13/99/73/400139973.db2.gz KYILAHSNPLBMJQ-LJQANCHMSA-N 0 3 324.424 3.211 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000595445065 400153468 /nfs/dbraw/zinc/15/34/68/400153468.db2.gz IJHSZQWEIBJGSL-HXUWFJFHSA-N 0 3 304.393 3.232 20 30 DGEDHN N#CCN1CCC(NCc2ccccc2OC2CCCC2)CC1 ZINC000609335144 400160469 /nfs/dbraw/zinc/16/04/69/400160469.db2.gz WIHRVOMRHAACMH-UHFFFAOYSA-N 0 3 313.445 3.086 20 30 DGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)CCCCCC#N ZINC000588652619 400220766 /nfs/dbraw/zinc/22/07/66/400220766.db2.gz FFJYETURYRIMQG-UHFFFAOYSA-N 0 3 319.424 3.190 20 30 DGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCCCCC#N ZINC000588652704 400220853 /nfs/dbraw/zinc/22/08/53/400220853.db2.gz TVXFGDCMSOKLLX-UHFFFAOYSA-N 0 3 319.424 3.190 20 30 DGEDHN COc1cccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000026221994 400255542 /nfs/dbraw/zinc/25/55/42/400255542.db2.gz RSBCOFGDFKFZCN-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)CCCCCC#N ZINC000588756841 400227813 /nfs/dbraw/zinc/22/78/13/400227813.db2.gz QEWSWUOLWLAUHG-UHFFFAOYSA-N 0 3 315.461 3.487 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000068387613 400257100 /nfs/dbraw/zinc/25/71/00/400257100.db2.gz FNYPFMJJODUHCT-HNNXBMFYSA-N 0 3 313.445 3.316 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCCCC#N)C1 ZINC000588153387 400192115 /nfs/dbraw/zinc/19/21/15/400192115.db2.gz JTWGAFOZXPGAEB-SJLPKXTDSA-N 0 3 313.445 3.412 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](NCc3cc(C#N)cs3)C2)cc1 ZINC000601160116 400253465 /nfs/dbraw/zinc/25/34/65/400253465.db2.gz SLKGBJWIRAFARM-QGZVFWFLSA-N 0 3 311.454 3.292 20 30 DGEDHN N#CCCCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000588157874 400192977 /nfs/dbraw/zinc/19/29/77/400192977.db2.gz JBGXJOFCCNDQCV-SFHVURJKSA-N 0 3 313.445 3.241 20 30 DGEDHN CN(CCCNC(=O)c1ccccc1CC#N)Cc1ccccc1 ZINC000600966006 400195692 /nfs/dbraw/zinc/19/56/92/400195692.db2.gz DTKJBNIYXVHHQG-UHFFFAOYSA-N 0 3 321.424 3.005 20 30 DGEDHN N#Cc1ccc([C@H](N[C@H]2CCCC23CCCCC3)C(N)=O)cc1 ZINC000595602685 400200420 /nfs/dbraw/zinc/20/04/20/400200420.db2.gz DAWQSMGTZJJUEG-IRXDYDNUSA-N 0 3 311.429 3.177 20 30 DGEDHN CC(C#N)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000609920145 400201349 /nfs/dbraw/zinc/20/13/49/400201349.db2.gz NOOJTQMHXQOJDK-BWZBUEFSSA-N 0 3 316.245 3.172 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000609921799 400202466 /nfs/dbraw/zinc/20/24/66/400202466.db2.gz GCVKASGAFVRBRE-AUUYWEPGSA-N 0 3 320.392 3.377 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000595608917 400202568 /nfs/dbraw/zinc/20/25/68/400202568.db2.gz BSWIDDPIBCYMRG-QFBILLFUSA-N 0 3 324.424 3.205 20 30 DGEDHN Cc1cncc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595767547 400254368 /nfs/dbraw/zinc/25/43/68/400254368.db2.gz DOOOLIPWZNFONQ-UHFFFAOYSA-N 0 3 307.397 3.057 20 30 DGEDHN Cc1cccc(C)c1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000610000367 400206130 /nfs/dbraw/zinc/20/61/30/400206130.db2.gz DGINYKHREHGEBD-UHFFFAOYSA-N 0 3 319.452 3.493 20 30 DGEDHN CN(CCCCC#N)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000610001677 400206150 /nfs/dbraw/zinc/20/61/50/400206150.db2.gz HSEAHWYHRKMCGE-QGZVFWFLSA-N 0 3 300.381 3.274 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000023081537 400207751 /nfs/dbraw/zinc/20/77/51/400207751.db2.gz HVPWSRXRRWQBBT-LJQANCHMSA-N 0 3 324.424 3.284 20 30 DGEDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1cccs1 ZINC000023744744 400213179 /nfs/dbraw/zinc/21/31/79/400213179.db2.gz ZZPJBIKZWZODIL-CQSZACIVSA-N 0 3 316.386 3.243 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1Cc1ccccc1 ZINC000589151150 400265042 /nfs/dbraw/zinc/26/50/42/400265042.db2.gz DVENFPNIGOUVSQ-LJQANCHMSA-N 0 3 312.457 3.284 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)C2CCC(F)CC2)c(C#N)c1C ZINC000595820272 400269573 /nfs/dbraw/zinc/26/95/73/400269573.db2.gz UJIICLPOKLJEEB-XGNXJENSSA-N 0 3 321.396 3.213 20 30 DGEDHN CC(C)[C@H]1CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000574954430 400322447 /nfs/dbraw/zinc/32/24/47/400322447.db2.gz BBWVJVUSSSVJQF-QGZVFWFLSA-N 0 3 309.417 3.089 20 30 DGEDHN CCOC(=O)C1(C)CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000601272625 400280865 /nfs/dbraw/zinc/28/08/65/400280865.db2.gz JIWJREWTLHHZAM-UPTPFMHGSA-N 0 3 300.402 3.353 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H]1OCCc3ccccc31)CC2 ZINC000589342378 400290946 /nfs/dbraw/zinc/29/09/46/400290946.db2.gz MVPVHFAJZYBOSW-VQTJNVASSA-N 0 3 304.393 3.449 20 30 DGEDHN CC1(C)CN(C(=O)[C@H](N)CCCCC#N)[C@H]1c1cccs1 ZINC000595947766 400297283 /nfs/dbraw/zinc/29/72/83/400297283.db2.gz NWAQTSAQQBFBHS-OCCSQVGLSA-N 0 3 305.447 3.069 20 30 DGEDHN CCOc1cc(C#N)ccc1OCc1cccc2c1CCNC2 ZINC000596071166 400310014 /nfs/dbraw/zinc/31/00/14/400310014.db2.gz XPNHIYNDOCOVFK-UHFFFAOYSA-N 0 3 308.381 3.182 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)c1cccc(CC#N)c1 ZINC000601619336 400317946 /nfs/dbraw/zinc/31/79/46/400317946.db2.gz BFHXFOZWRDLSFW-UHFFFAOYSA-N 0 3 323.396 3.075 20 30 DGEDHN N#Cc1cccc(OCCN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595784550 400258100 /nfs/dbraw/zinc/25/81/00/400258100.db2.gz BGDRDHVVAYERTO-LJQANCHMSA-N 0 3 314.429 3.218 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595789358 400261036 /nfs/dbraw/zinc/26/10/36/400261036.db2.gz MIQMSAQOJHPYDT-IEBWSBKVSA-N 0 3 314.429 3.218 20 30 DGEDHN CC(C)(C)N1CC[C@H](Nc2ncc(Br)cc2C#N)C1 ZINC000596334544 400383540 /nfs/dbraw/zinc/38/35/40/400383540.db2.gz BSLBCXZYRFLQMC-LBPRGKRZSA-N 0 3 323.238 3.000 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000030532665 400328094 /nfs/dbraw/zinc/32/80/94/400328094.db2.gz LBCLJFBSNFIMSZ-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000601712501 400338149 /nfs/dbraw/zinc/33/81/49/400338149.db2.gz WOCWQALRFHYFGV-INIZCTEOSA-N 0 3 301.365 3.043 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(NC(N)=O)cc1 ZINC000611390966 400391349 /nfs/dbraw/zinc/39/13/49/400391349.db2.gz XPUFVFALCLMKEC-SFHVURJKSA-N 0 3 320.396 3.216 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000117050428 400414440 /nfs/dbraw/zinc/41/44/40/400414440.db2.gz HKLJVSQFEOFHCM-CABCVRRESA-N 0 3 303.450 3.380 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000115372880 400396879 /nfs/dbraw/zinc/39/68/79/400396879.db2.gz LLIBRCKPKFWXFM-QGZVFWFLSA-N 0 3 312.457 3.263 20 30 DGEDHN N#Cc1ccc(NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000596440440 400415476 /nfs/dbraw/zinc/41/54/76/400415476.db2.gz LAXABRIVOFUXSU-UHFFFAOYSA-N 0 3 306.413 3.277 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(-n3cccc3)c2)nc(C)n1 ZINC000041562675 400409779 /nfs/dbraw/zinc/40/97/79/400409779.db2.gz GSQKZKMVZABOGF-KRWDZBQOSA-N 0 3 316.364 3.374 20 30 DGEDHN N#CCCCCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611575397 400425749 /nfs/dbraw/zinc/42/57/49/400425749.db2.gz HDRWDLRIKZJKLX-AWEZNQCLSA-N 0 3 300.324 3.106 20 30 DGEDHN N#Cc1cccc(OC2CCN(Cc3ccc(O)cc3)CC2)c1 ZINC000611526424 400416632 /nfs/dbraw/zinc/41/66/32/400416632.db2.gz OMCYKIXVZVBHAS-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](OCC)C2=CCCC2)CC1 ZINC000073080348 400429878 /nfs/dbraw/zinc/42/98/78/400429878.db2.gz OCWBVBCHMYJJGD-SFHVURJKSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000073298038 400440664 /nfs/dbraw/zinc/44/06/64/400440664.db2.gz MCTQLSVYPWJTSQ-CQSZACIVSA-N 0 3 311.429 3.038 20 30 DGEDHN CC(C)N(CC(=O)Nc1ccc(F)cc1)C[C@H](C)CCC#N ZINC000602431820 400459585 /nfs/dbraw/zinc/45/95/85/400459585.db2.gz DMAIZLMDBBNUIU-CQSZACIVSA-N 0 3 305.397 3.414 20 30 DGEDHN C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000073455044 400451272 /nfs/dbraw/zinc/45/12/72/400451272.db2.gz ABXAOKAHVDGACL-CJNGLKHVSA-N 0 3 319.836 3.285 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000617779867 400452288 /nfs/dbraw/zinc/45/22/88/400452288.db2.gz JUMXJRILCUPXAA-FUHWJXTLSA-N 0 3 300.446 3.494 20 30 DGEDHN CCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCN(CC)C1 ZINC000596796218 400501927 /nfs/dbraw/zinc/50/19/27/400501927.db2.gz IZLUHHQQXMRSIO-ZDUSSCGKSA-N 0 3 320.824 3.160 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000596797074 400502316 /nfs/dbraw/zinc/50/23/16/400502316.db2.gz PKGMPCHSKMYLSM-LBPRGKRZSA-N 0 3 320.824 3.206 20 30 DGEDHN COc1cc(C)cc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602580191 400502862 /nfs/dbraw/zinc/50/28/62/400502862.db2.gz DYVZBCUNHRYANR-HNNXBMFYSA-N 0 3 302.418 3.192 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000602580622 400502999 /nfs/dbraw/zinc/50/29/99/400502999.db2.gz CHQCFNOQAKUDOY-HZPDHXFCSA-N 0 3 319.836 3.245 20 30 DGEDHN C[C@@H](CCC#N)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000602437134 400460843 /nfs/dbraw/zinc/46/08/43/400460843.db2.gz VGGOGMPNPYPCHF-KBPBESRZSA-N 0 3 308.447 3.023 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000602450595 400466821 /nfs/dbraw/zinc/46/68/21/400466821.db2.gz BYEHQLDRGZAELR-MRXNPFEDSA-N 0 3 308.429 3.297 20 30 DGEDHN CN(Cc1cccc(C#N)n1)C1CCN(Cc2ccccc2)CC1 ZINC000602467720 400469544 /nfs/dbraw/zinc/46/95/44/400469544.db2.gz YSOMHLIZVOGTPR-UHFFFAOYSA-N 0 3 320.440 3.050 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000590973322 400472857 /nfs/dbraw/zinc/47/28/57/400472857.db2.gz HPLSTDJAVMCMMZ-CQSZACIVSA-N 0 3 302.418 3.276 20 30 DGEDHN C[C@H]1CCN(Cc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000602485301 400475876 /nfs/dbraw/zinc/47/58/76/400475876.db2.gz XQSMDAWLVOJSFX-KRWDZBQOSA-N 0 3 320.440 3.050 20 30 DGEDHN Cc1nccc([C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1 ZINC000612061182 400481892 /nfs/dbraw/zinc/48/18/92/400481892.db2.gz SYVHLFHQAXJMSQ-SFHVURJKSA-N 0 3 306.413 3.231 20 30 DGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)CC1CCCCC1 ZINC000043999794 400482634 /nfs/dbraw/zinc/48/26/34/400482634.db2.gz IRFMVHURDVSYPQ-UHFFFAOYSA-N 0 3 313.445 3.445 20 30 DGEDHN COCc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602514610 400485074 /nfs/dbraw/zinc/48/50/74/400485074.db2.gz OIBJCKFLBZZSJM-OAHLLOKOSA-N 0 3 302.418 3.022 20 30 DGEDHN CCCCOc1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602517356 400486069 /nfs/dbraw/zinc/48/60/69/400486069.db2.gz ZIDGEJDAOTUAKZ-UHFFFAOYSA-N 0 3 309.413 3.464 20 30 DGEDHN Cc1cccc(C)c1OCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602523227 400487026 /nfs/dbraw/zinc/48/70/26/400487026.db2.gz ZWIFHNIRZQNEND-QGZVFWFLSA-N 0 3 316.445 3.371 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000044277059 400487803 /nfs/dbraw/zinc/48/78/03/400487803.db2.gz ICDYBOMBANETJK-UHFFFAOYSA-N 0 3 322.412 3.284 20 30 DGEDHN COc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccc1C ZINC000602525774 400488212 /nfs/dbraw/zinc/48/82/12/400488212.db2.gz AUODLUVQYKLHAE-HNNXBMFYSA-N 0 3 302.418 3.192 20 30 DGEDHN N#Cc1cccc(CNCCc2ccccc2C(F)(F)F)n1 ZINC000602525546 400488805 /nfs/dbraw/zinc/48/88/05/400488805.db2.gz IJRBKVDPALPYPA-UHFFFAOYSA-N 0 3 305.303 3.304 20 30 DGEDHN N#CC[C@@H]1CCCN(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000597173867 400575901 /nfs/dbraw/zinc/57/59/01/400575901.db2.gz MHPDGKRKDANGRK-HNNXBMFYSA-N 0 3 308.385 3.395 20 30 DGEDHN C[C@@H](NC[C@@H](C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000602628944 400516571 /nfs/dbraw/zinc/51/65/71/400516571.db2.gz ZZLKARGZRNJZSA-NWDGAFQWSA-N 0 3 302.353 3.466 20 30 DGEDHN COc1cccc(-c2noc([C@@H](C)NC[C@H](C)CCC#N)n2)c1 ZINC000602647079 400523298 /nfs/dbraw/zinc/52/32/98/400523298.db2.gz SIRFBRPTVNCKAB-CHWSQXEVSA-N 0 3 314.389 3.336 20 30 DGEDHN CN1CCC(N(Cc2ccccc2)Cc2cccc(C#N)n2)CC1 ZINC000602667495 400531468 /nfs/dbraw/zinc/53/14/68/400531468.db2.gz PQVBTUCEOUTWSS-UHFFFAOYSA-N 0 3 320.440 3.050 20 30 DGEDHN C=C(C)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674879 400535904 /nfs/dbraw/zinc/53/59/04/400535904.db2.gz HEJLTBXNGVUIAF-UHFFFAOYSA-N 0 3 305.197 3.475 20 30 DGEDHN CO[C@@](C)(CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602676446 400536033 /nfs/dbraw/zinc/53/60/33/400536033.db2.gz PXHQCVFIXDOBGG-WMZOPIPTSA-N 0 3 316.445 3.237 20 30 DGEDHN N#CC1(c2ccc(CN3CCc4ccccc4[C@@H]3CO)cc2)CC1 ZINC000597010914 400539103 /nfs/dbraw/zinc/53/91/03/400539103.db2.gz ZIKYXGKAUIDQAI-FQEVSTJZSA-N 0 3 318.420 3.333 20 30 DGEDHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NCc1cccc(C#N)n1 ZINC000602693672 400540349 /nfs/dbraw/zinc/54/03/49/400540349.db2.gz FLRRZPNWFIMIIB-ZDUSSCGKSA-N 0 3 322.387 3.305 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1O ZINC000597075085 400552644 /nfs/dbraw/zinc/55/26/44/400552644.db2.gz ULUQXFWHSFXHJQ-QZTJIDSGSA-N 0 3 312.457 3.471 20 30 DGEDHN C[C@H](OC[C@@H](O)CNCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591764328 400554337 /nfs/dbraw/zinc/55/43/37/400554337.db2.gz DTPQNTZJWPBBPP-BBRMVZONSA-N 0 3 322.836 3.062 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000046345435 400561065 /nfs/dbraw/zinc/56/10/65/400561065.db2.gz MLYZKVCRMTYGBB-RHSMWYFYSA-N 0 3 309.837 3.453 20 30 DGEDHN COC(=O)C(C)(C)[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602804612 400580541 /nfs/dbraw/zinc/58/05/41/400580541.db2.gz KILXAVFOKRSBQY-HNNXBMFYSA-N 0 3 300.402 3.210 20 30 DGEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CCCCCC#N ZINC000591860397 400566767 /nfs/dbraw/zinc/56/67/67/400566767.db2.gz OYYBPMATWZJDPQ-QGZVFWFLSA-N 0 3 313.445 3.370 20 30 DGEDHN CC(C)(C)c1ccc(OCCCN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147091 400614382 /nfs/dbraw/zinc/61/43/82/400614382.db2.gz LUESHIULDDOTLU-IBGZPJMESA-N 0 3 316.445 3.103 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cnc(C)s1 ZINC000602953709 400614333 /nfs/dbraw/zinc/61/43/33/400614333.db2.gz BSNIUKBXJDLTMR-NSHDSACASA-N 0 3 317.414 3.061 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000134898014 400582557 /nfs/dbraw/zinc/58/25/57/400582557.db2.gz VGFCNRXRSUVCEG-VBNZEHGJSA-N 0 3 318.392 3.155 20 30 DGEDHN COc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1OCCCC#N ZINC000597223469 400591541 /nfs/dbraw/zinc/59/15/41/400591541.db2.gz PFPIAHKAJOWHEZ-HZPDHXFCSA-N 0 3 300.402 3.220 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCCCC1 ZINC000047010788 400594873 /nfs/dbraw/zinc/59/48/73/400594873.db2.gz OMUAFQLOYPQBQN-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN CN(CC1=CCSC1)Cc1cccc(OCCCC#N)c1 ZINC000597246797 400599582 /nfs/dbraw/zinc/59/95/82/400599582.db2.gz ZBOIFBGHKPALBG-UHFFFAOYSA-N 0 3 302.443 3.474 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000592070378 400602304 /nfs/dbraw/zinc/60/23/04/400602304.db2.gz KTIXFPYREPDDEP-UHFFFAOYSA-N 0 3 300.446 3.265 20 30 DGEDHN CC(C)(C)CN1CCC[C@@H](N2CCC(CCC#N)CC2)C1=O ZINC000592135165 400610782 /nfs/dbraw/zinc/61/07/82/400610782.db2.gz LEHRFPRAXSHKFQ-MRXNPFEDSA-N 0 3 305.466 3.039 20 30 DGEDHN CC(C)(C#N)CCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603142090 400648390 /nfs/dbraw/zinc/64/83/90/400648390.db2.gz BKMKLYZWAVLVND-UONOGXRCSA-N 0 3 314.351 3.050 20 30 DGEDHN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN(C2CCC2)C1 ZINC000597690024 400660374 /nfs/dbraw/zinc/66/03/74/400660374.db2.gz ZXRLUIJFNMGQJE-INIZCTEOSA-N 0 3 317.477 3.183 20 30 DGEDHN COCCOc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742762 400680365 /nfs/dbraw/zinc/68/03/65/400680365.db2.gz RRCFDAFLSNRGIQ-FQEVSTJZSA-N 0 3 322.408 3.361 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618741806 400680423 /nfs/dbraw/zinc/68/04/23/400680423.db2.gz MUMXIGQXGDBMCG-IBGZPJMESA-N 0 3 305.381 3.294 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000597864251 400683282 /nfs/dbraw/zinc/68/32/82/400683282.db2.gz MCDNIJNJZYUFSR-RDJZCZTQSA-N 0 3 307.397 3.074 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000613255719 400683485 /nfs/dbraw/zinc/68/34/85/400683485.db2.gz BZBKSQAJNLDHOI-DFBGVHRSSA-N 0 3 312.335 3.411 20 30 DGEDHN CCN(CCOc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000603854598 400723806 /nfs/dbraw/zinc/72/38/06/400723806.db2.gz GJHICMAUUDEOCX-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(CC)C1 ZINC000598040191 400724296 /nfs/dbraw/zinc/72/42/96/400724296.db2.gz NOUIGNUOKQRVSZ-QGZVFWFLSA-N 0 3 313.445 3.044 20 30 DGEDHN N#Cc1ccc(-c2cccc(OCCN3CCCCC3)c2)cn1 ZINC000592983288 400724805 /nfs/dbraw/zinc/72/48/05/400724805.db2.gz FJAOECYUNOOKLL-UHFFFAOYSA-N 0 3 307.397 3.485 20 30 DGEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000592995673 400728778 /nfs/dbraw/zinc/72/87/78/400728778.db2.gz DPIUOJGMLMONED-CHWSQXEVSA-N 0 3 312.291 3.244 20 30 DGEDHN C[C@@H](CNc1c(C#N)nnc2ccccc21)N1CCC[C@@H](C)C1 ZINC000077189796 400693083 /nfs/dbraw/zinc/69/30/83/400693083.db2.gz QXQRGQKLBSEPLD-KGLIPLIRSA-N 0 3 309.417 3.034 20 30 DGEDHN CCc1nn(C)c(CC)c1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618831405 400696059 /nfs/dbraw/zinc/69/60/59/400696059.db2.gz PEXNDJJKBXKTIT-GOSISDBHSA-N 0 3 308.429 3.194 20 30 DGEDHN N#CCCC1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000592819010 400705148 /nfs/dbraw/zinc/70/51/48/400705148.db2.gz PRWNSJXYMQNYAD-GOSISDBHSA-N 0 3 317.477 3.326 20 30 DGEDHN CCN1CCC(N(C)c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411749 400712190 /nfs/dbraw/zinc/71/21/90/400712190.db2.gz WFHBYROPSVELME-UHFFFAOYSA-N 0 3 300.450 3.171 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000171734616 400805488 /nfs/dbraw/zinc/80/54/88/400805488.db2.gz QZGKTDKHDOFDOB-RDJZCZTQSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000078587417 400812693 /nfs/dbraw/zinc/81/26/93/400812693.db2.gz XSHVPUHOPQQMAL-LPHOPBHVSA-N 0 3 308.425 3.251 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000604912417 400815143 /nfs/dbraw/zinc/81/51/43/400815143.db2.gz ZMSGSJRKSCNZQH-PBHICJAKSA-N 0 3 303.450 3.116 20 30 DGEDHN CC(C)[C@H](C(=O)NCC1(C#N)CCCCC1)N1CCCCC1 ZINC000598307361 400779245 /nfs/dbraw/zinc/77/92/45/400779245.db2.gz MTAOEIUOQRHJTR-MRXNPFEDSA-N 0 3 305.466 3.087 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3C4CCCC3CCC4)C2=O)cc1 ZINC000619159050 400785007 /nfs/dbraw/zinc/78/50/07/400785007.db2.gz GTEDGZPVOFDRPQ-ACBHZAAOSA-N 0 3 323.440 3.461 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C)c2F)CC1 ZINC000179999524 400880744 /nfs/dbraw/zinc/88/07/44/400880744.db2.gz LCPWEMJOXRVDNL-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccccc2F)CC1 ZINC000598591877 400838400 /nfs/dbraw/zinc/83/84/00/400838400.db2.gz DMYIGFMHOOYLSW-HNNXBMFYSA-N 0 3 304.409 3.306 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000598590348 400839132 /nfs/dbraw/zinc/83/91/32/400839132.db2.gz QHWXVZMEIVDQJZ-OAHLLOKOSA-N 0 3 322.399 3.445 20 30 DGEDHN CCCOc1ccc2c(c1)CCN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598596565 400840589 /nfs/dbraw/zinc/84/05/89/400840589.db2.gz LLZVUFAWPYCQSB-KRWDZBQOSA-N 0 3 316.445 3.134 20 30 DGEDHN CCOc1ccccc1[C@H](CC)NC[C@H](O)CC(C)(C)C#N ZINC000598602412 400842122 /nfs/dbraw/zinc/84/21/22/400842122.db2.gz NRCOXZWPZGIQMG-ZBFHGGJFSA-N 0 3 304.434 3.427 20 30 DGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)cc1F ZINC000598626343 400846758 /nfs/dbraw/zinc/84/67/58/400846758.db2.gz AKUNMVGFAUYYQU-ZBFHGGJFSA-N 0 3 320.408 3.272 20 30 DGEDHN C=CC1CCN(Cc2cc(C(=O)OC)c3n2CCCC3)CC1 ZINC000598670061 400853816 /nfs/dbraw/zinc/85/38/16/400853816.db2.gz JHYIZMRBUOPVFH-UHFFFAOYSA-N 0 3 302.418 3.009 20 30 DGEDHN C=CCNC(=O)Nc1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000079406528 400864363 /nfs/dbraw/zinc/86/43/63/400864363.db2.gz RDSKMCDEEPSGFO-SECBINFHSA-N 0 3 315.295 3.131 20 30 DGEDHN CC(C)(C)CCN1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000055340607 400864359 /nfs/dbraw/zinc/86/43/59/400864359.db2.gz NCGUBSQKOZNISB-UHFFFAOYSA-N 0 3 314.433 3.144 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000598726774 400866866 /nfs/dbraw/zinc/86/68/66/400866866.db2.gz BIWIOCKQLTYLHN-BLLLJJGKSA-N 0 3 308.372 3.233 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000181772987 400889647 /nfs/dbraw/zinc/88/96/47/400889647.db2.gz YSMQFWRGVYFNBW-MRXNPFEDSA-N 0 3 300.446 3.143 20 30 DGEDHN NC(=O)C[C@@H](NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000182024797 400891280 /nfs/dbraw/zinc/89/12/80/400891280.db2.gz CELJMEUSAIGORR-QGZVFWFLSA-N 0 3 318.848 3.105 20 30 DGEDHN C[C@H](N[C@H]1CCC[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000619704746 400892368 /nfs/dbraw/zinc/89/23/68/400892368.db2.gz DSAKEFJGSAWJER-SUNKGSAMSA-N 0 3 317.458 3.214 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000614397619 400892542 /nfs/dbraw/zinc/89/25/42/400892542.db2.gz JWXPYEUPPKJUFS-GOSISDBHSA-N 0 3 306.413 3.345 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000182589383 400894586 /nfs/dbraw/zinc/89/45/86/400894586.db2.gz ZNYDORGTYRFHPV-NVXWUHKLSA-N 0 3 321.852 3.435 20 30 DGEDHN C=C[C@@H](Nc1cccc2c1CN(CCC(C)C)C2)C(=O)OC ZINC000619734782 400895464 /nfs/dbraw/zinc/89/54/64/400895464.db2.gz ROXLEPUBRAJLFZ-MRXNPFEDSA-N 0 3 302.418 3.188 20 30 DGEDHN CCCN(C)[C@H](CNC(=O)[C@@H](C#N)CC)c1ccc(Cl)cc1 ZINC000593700861 400895971 /nfs/dbraw/zinc/89/59/71/400895971.db2.gz COSRXWYIZOFOFP-CZUORRHYSA-N 0 3 321.852 3.389 20 30 DGEDHN C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccoc1 ZINC000593721158 400899052 /nfs/dbraw/zinc/89/90/52/400899052.db2.gz KGSRWGXADZTZRH-OAHLLOKOSA-N 0 3 309.413 3.466 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](CC(C)C)c1ccccc1C ZINC000183237118 400900042 /nfs/dbraw/zinc/90/00/42/400900042.db2.gz CMTUQPIJGUPBJU-GOSISDBHSA-N 0 3 315.461 3.434 20 30 DGEDHN C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N1CCCCCC1 ZINC000619766889 400902757 /nfs/dbraw/zinc/90/27/57/400902757.db2.gz JXIABSXIOPZBND-CYBMUJFWSA-N 0 3 319.836 3.092 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185656484 400905761 /nfs/dbraw/zinc/90/57/61/400905761.db2.gz CNGLHGPJXRAXKN-GXFFZTMASA-N 0 3 319.371 3.040 20 30 DGEDHN CC(C)c1ncc2c(n1)CCN(CCc1ccc(C#N)cc1)C2 ZINC000598940961 400910487 /nfs/dbraw/zinc/91/04/87/400910487.db2.gz ZEVVDOGGXWMHHE-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN CC[C@@H]1COC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000593791742 400910954 /nfs/dbraw/zinc/91/09/54/400910954.db2.gz ZWZTUJKNFLVDFW-DLBZAZTESA-N 0 3 314.429 3.175 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCN(CCC)C1 ZINC000619903204 400916824 /nfs/dbraw/zinc/91/68/24/400916824.db2.gz XWVFISKUJCKISR-CQSZACIVSA-N 0 3 304.459 3.179 20 30 DGEDHN CC(C)(C)OC(=O)c1ccc(CNCC2(CC#N)CC2)s1 ZINC000598973892 400917190 /nfs/dbraw/zinc/91/71/90/400917190.db2.gz FXYBEMGHIBATSL-UHFFFAOYSA-N 0 3 306.431 3.487 20 30 DGEDHN C[C@H]1C[C@@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000080230873 400933405 /nfs/dbraw/zinc/93/34/05/400933405.db2.gz WJRJMCXJGBMFDA-YJBOKZPZSA-N 0 3 306.413 3.418 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000606973247 400992443 /nfs/dbraw/zinc/99/24/43/400992443.db2.gz VHITZUJCIWYHDY-SJORKVTESA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCCC(C)(C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000620861745 401000112 /nfs/dbraw/zinc/00/01/12/401000112.db2.gz XUYHZIORLHSFIG-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN N#Cc1cccc(NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126350 400970197 /nfs/dbraw/zinc/97/01/97/400970197.db2.gz FOKLQEZTIQFGJB-HNNXBMFYSA-N 0 3 314.389 3.285 20 30 DGEDHN CN(Cc1ccc2ccccc2c1)C(=O)[C@@H](N)CCCCC#N ZINC000594425539 401063003 /nfs/dbraw/zinc/06/30/03/401063003.db2.gz KRHOJRKDKNSKKG-SFHVURJKSA-N 0 3 309.413 3.209 20 30 DGEDHN C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N1CCCCCC1 ZINC000081408445 401063029 /nfs/dbraw/zinc/06/30/29/401063029.db2.gz BKOWBJCTZZVTEP-QAPCUYQASA-N 0 3 305.466 3.230 20 30 DGEDHN C=CCSCCNCc1cn(-c2ccccc2F)nc1C ZINC000594497760 401081755 /nfs/dbraw/zinc/08/17/55/401081755.db2.gz FSXDRAHUSDTODD-UHFFFAOYSA-N 0 3 305.422 3.329 20 30 DGEDHN Cc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C#N ZINC000599354517 401031414 /nfs/dbraw/zinc/03/14/14/401031414.db2.gz PVKAWJILKXTJFC-FPTDNZKUSA-N 0 3 312.438 3.455 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)cc1Cl ZINC000615230546 401035937 /nfs/dbraw/zinc/03/59/37/401035937.db2.gz CCLQWFPYJGHPEO-SCLBCKFNSA-N 0 3 314.816 3.466 20 30 DGEDHN N#Cc1ccc(N2CCN(CC3CCCCC3)CC2)c(F)c1 ZINC000060355888 401109004 /nfs/dbraw/zinc/10/90/04/401109004.db2.gz KPHQDNCVYFUBOE-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN CCOC(=O)CCCCCN1CCc2c(CC#N)cccc2C1 ZINC000599678825 401112974 /nfs/dbraw/zinc/11/29/74/401112974.db2.gz NGELNNFOXMPDDI-UHFFFAOYSA-N 0 3 314.429 3.234 20 30 DGEDHN N#CCc1cccc2c1CCN(CCC(=O)Nc1ccccc1)C2 ZINC000599686468 401115032 /nfs/dbraw/zinc/11/50/32/401115032.db2.gz SEMRNHDQSRIHNI-UHFFFAOYSA-N 0 3 319.408 3.140 20 30 DGEDHN Cc1nn(-c2ccccc2F)cc1CN1CCC(CC#N)CC1 ZINC000594606813 401130473 /nfs/dbraw/zinc/13/04/73/401130473.db2.gz SNCQPMHGTSKZEF-UHFFFAOYSA-N 0 3 312.392 3.446 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000599805188 401142111 /nfs/dbraw/zinc/14/21/11/401142111.db2.gz ILPVFTLOZDTVBF-RDJZCZTQSA-N 0 3 315.461 3.432 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000599805187 401142355 /nfs/dbraw/zinc/14/23/55/401142355.db2.gz ILPVFTLOZDTVBF-NVXWUHKLSA-N 0 3 315.461 3.432 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1cccc(C)c1)C(C)C ZINC000599627398 401095568 /nfs/dbraw/zinc/09/55/68/401095568.db2.gz MAVFYMBJNLYDOH-GOSISDBHSA-N 0 3 301.434 3.044 20 30 DGEDHN CC(C)[C@@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000594519965 401097455 /nfs/dbraw/zinc/09/74/55/401097455.db2.gz UZHFRIJGDUWIMJ-OAHLLOKOSA-N 0 3 320.408 3.401 20 30 DGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@H]12)c1ccc(C#N)cc1F ZINC000594519348 401098029 /nfs/dbraw/zinc/09/80/29/401098029.db2.gz JZPJYWWYAVNPJP-DOPJRALCSA-N 0 3 301.409 3.365 20 30 DGEDHN C=CCCSCCNCc1ccc(Br)cn1 ZINC000594960840 401208635 /nfs/dbraw/zinc/20/86/35/401208635.db2.gz XEBYVXKJBMZHPL-UHFFFAOYSA-N 0 3 301.253 3.243 20 30 DGEDHN N#CCCn1cc(CNCC2=CCCC2)c(-c2ccncc2)n1 ZINC000594990617 401220726 /nfs/dbraw/zinc/22/07/26/401220726.db2.gz UWZRYSUMDNRAJW-UHFFFAOYSA-N 0 3 307.401 3.059 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC(F)(F)CC1 ZINC000600255180 401232626 /nfs/dbraw/zinc/23/26/26/401232626.db2.gz VGOXIEFBHDRQLN-OAHLLOKOSA-N 0 3 306.356 3.407 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cccc(OC)c1OC ZINC000631632462 401519465 /nfs/dbraw/zinc/51/94/65/401519465.db2.gz OGTCTPYHMMZADN-XHSDSOJGSA-N 0 3 305.418 3.478 20 30 DGEDHN C=CCCOCCNCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623473785 401526201 /nfs/dbraw/zinc/52/62/01/401526201.db2.gz HXGFWGRLGLKZGU-UHFFFAOYSA-N 0 3 303.324 3.396 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](C)C[C@@H](C)O)cc1OC ZINC000623488739 401530065 /nfs/dbraw/zinc/53/00/65/401530065.db2.gz BJEQICZPLNBLQQ-VXGBXAGGSA-N 0 3 313.825 3.162 20 30 DGEDHN C=CCN(CC=C)[C@H](CNCc1cnc2ccccc2n1)C(C)C ZINC000628201918 401549154 /nfs/dbraw/zinc/54/91/54/401549154.db2.gz AMNSKSMENATZEV-HXUWFJFHSA-N 0 3 324.472 3.418 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000177340388 164804706 /nfs/dbraw/zinc/80/47/06/164804706.db2.gz DBSDOXYCDNECPO-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN N#Cc1ccc(OCCN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186685129 165053928 /nfs/dbraw/zinc/05/39/28/165053928.db2.gz OUTFPXPUVVQQER-HXUWFJFHSA-N 0 3 320.392 3.068 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1cc(C#N)ccc1OC)C(C)C ZINC000186723255 165056605 /nfs/dbraw/zinc/05/66/05/165056605.db2.gz RUVSZFVPGIVEPT-SFHVURJKSA-N 0 3 318.417 3.024 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3)CC2)cc1F ZINC000191900194 165273779 /nfs/dbraw/zinc/27/37/79/165273779.db2.gz KCHMNMWUPFOUMY-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000171722170 432164542 /nfs/dbraw/zinc/16/45/42/432164542.db2.gz MPBTYLJKTSDGFI-KQTBYGHGSA-N 0 3 314.429 3.183 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3s2)CC1 ZINC000171723947 432165805 /nfs/dbraw/zinc/16/58/05/432165805.db2.gz RFIOBRRPWATDEV-UHFFFAOYSA-N 0 3 300.427 3.282 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CCCC)CC1 ZINC000171733562 432167377 /nfs/dbraw/zinc/16/73/77/432167377.db2.gz YLCXUWXUAZXZEY-NVXWUHKLSA-N 0 3 307.482 3.295 20 30 DGEDHN N#Cc1c(Cl)nsc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000269430562 432172363 /nfs/dbraw/zinc/17/23/63/432172363.db2.gz PHROTELLMGXDJA-MFKMUULPSA-N 0 3 322.865 3.121 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000269426806 432172678 /nfs/dbraw/zinc/17/26/78/432172678.db2.gz NZNHTNFCXRKPDI-INIZCTEOSA-N 0 3 309.388 3.313 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1C ZINC000190895337 432199151 /nfs/dbraw/zinc/19/91/51/432199151.db2.gz BMMSKXHEJCRJIR-AWEZNQCLSA-N 0 3 317.348 3.437 20 30 DGEDHN C[C@H]1C[C@@H](N(C)c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000150875211 432197578 /nfs/dbraw/zinc/19/75/78/432197578.db2.gz OJNGSSLNZOBXGI-LPHOPBHVSA-N 0 3 320.440 3.443 20 30 DGEDHN C[C@@H](NCCOc1ccc(Cl)cn1)c1ccc(C#N)cc1 ZINC000151048262 432214962 /nfs/dbraw/zinc/21/49/62/432214962.db2.gz TXNQUPCTMTUUJJ-GFCCVEGCSA-N 0 3 301.777 3.336 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNCc1ccc(C#N)s1)C(C)C ZINC000150950927 432204571 /nfs/dbraw/zinc/20/45/71/432204571.db2.gz RCLVVCVOWKZZEA-KRWDZBQOSA-N 0 3 303.475 3.408 20 30 DGEDHN N#CCCCCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136701246 227050801 /nfs/dbraw/zinc/05/08/01/227050801.db2.gz OHISZKSXKSOUEZ-ZDUSSCGKSA-N 0 3 323.322 3.196 20 30 DGEDHN C[C@@H]1C[C@@H](O)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444664328 533682765 /nfs/dbraw/zinc/68/27/65/533682765.db2.gz MCVYORWBUUKEJJ-YLJYHZDGSA-N 0 3 320.436 3.341 20 30 DGEDHN N#CC(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccccn1 ZINC000176526348 228314462 /nfs/dbraw/zinc/31/44/62/228314462.db2.gz AAMOWNZXDKTRQH-MRXNPFEDSA-N 0 3 315.332 3.131 20 30 DGEDHN CN(C)CCN(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000176832161 228320369 /nfs/dbraw/zinc/32/03/69/228320369.db2.gz VGFLAIQDFGUMAE-UHFFFAOYSA-N 0 3 321.424 3.112 20 30 DGEDHN C[C@@H](NCCOCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181849432 228364063 /nfs/dbraw/zinc/36/40/63/228364063.db2.gz UQBBNLOQJPQKHD-MRXNPFEDSA-N 0 3 310.397 3.456 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000185798112 228397280 /nfs/dbraw/zinc/39/72/80/228397280.db2.gz NXOQTSBKNIAEFP-HOCLYGCPSA-N 0 3 312.392 3.492 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc4c[nH+]cn4c3)nc21 ZINC000342347237 229110992 /nfs/dbraw/zinc/11/09/92/229110992.db2.gz OBXUTDDQWZAFLN-AWEZNQCLSA-N 0 3 315.336 3.009 20 30 DGEDHN C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)N(C)C ZINC000337601490 229050504 /nfs/dbraw/zinc/05/05/04/229050504.db2.gz NIRZMBZEECQXDA-MRXNPFEDSA-N 0 3 321.424 3.158 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000343535214 229126108 /nfs/dbraw/zinc/12/61/08/229126108.db2.gz OSYQFFGIKNOZLJ-AAEUAGOBSA-N 0 3 313.323 3.195 20 30 DGEDHN N#CCCOCCN1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000338998213 229072018 /nfs/dbraw/zinc/07/20/18/229072018.db2.gz YJIUXIOZZDNZFS-UHFFFAOYSA-N 0 3 315.392 3.417 20 30 DGEDHN N#CCCOCCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000339050346 229073989 /nfs/dbraw/zinc/07/39/89/229073989.db2.gz CIHWSZCLUMMDCV-ZDUSSCGKSA-N 0 3 317.364 3.077 20 30 DGEDHN N#CCCOCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000339084077 229074824 /nfs/dbraw/zinc/07/48/24/229074824.db2.gz XBRSCJQIWLZIND-CQSZACIVSA-N 0 3 312.335 3.425 20 30 DGEDHN N#CCCn1cc(CN[C@@H]2CCC[C@H]2F)c(-c2ccccc2)n1 ZINC000339591626 229081245 /nfs/dbraw/zinc/08/12/45/229081245.db2.gz WTKXJWXUMQXWNF-IAGOWNOFSA-N 0 3 312.392 3.444 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000346276166 229166724 /nfs/dbraw/zinc/16/67/24/229166724.db2.gz KXWLCFGFDWXYNE-LLVKDONJSA-N 0 3 310.319 3.403 20 30 DGEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000347107218 229182011 /nfs/dbraw/zinc/18/20/11/229182011.db2.gz MTAVDGLFOKVJOE-RNCFNFMXSA-N 0 3 313.184 3.053 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000348007580 229196081 /nfs/dbraw/zinc/19/60/81/229196081.db2.gz WEMAURVYVBLFRL-HKUYNNGSSA-N 0 3 315.376 3.044 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1Br ZINC000354454733 229296177 /nfs/dbraw/zinc/29/61/77/229296177.db2.gz AEALVCLDXDOZRU-NSHDSACASA-N 0 3 316.158 3.038 20 30 DGEDHN CN(C(=O)CN1CCCC(C)(C)CC1)C1(C#N)CCCCC1 ZINC000357812554 229353231 /nfs/dbraw/zinc/35/32/31/229353231.db2.gz RKCGRRJIZNAGOL-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN Cn1cccc1[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000358000514 229354673 /nfs/dbraw/zinc/35/46/73/229354673.db2.gz BPPHHNBZHRZIBB-MJGOQNOKSA-N 0 3 321.424 3.461 20 30 DGEDHN N#CC1(c2ccccn2)CCN(CC[C@H](O)c2ccccc2)CC1 ZINC000367321578 229481099 /nfs/dbraw/zinc/48/10/99/229481099.db2.gz HZTDHHPDBWPHOP-SFHVURJKSA-N 0 3 321.424 3.062 20 30 DGEDHN C[C@H](CNc1nc2ccccn2c1C#N)N(C)Cc1ccccc1 ZINC000302060315 230070505 /nfs/dbraw/zinc/07/05/05/230070505.db2.gz BJBMIMBHCRRRTO-OAHLLOKOSA-N 0 3 319.412 3.138 20 30 DGEDHN Cc1ccc([C@@H](CNc2nc3ccccn3c2C#N)N(C)C)cc1 ZINC000302076288 230081759 /nfs/dbraw/zinc/08/17/59/230081759.db2.gz HFSBHQHCPYJOTL-QGZVFWFLSA-N 0 3 319.412 3.229 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346145202 263969046 /nfs/dbraw/zinc/96/90/46/263969046.db2.gz UTKSCKWVLCSYLW-RYUDHWBXSA-N 0 3 306.381 3.468 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc(C#N)cn1 ZINC000346651652 264073887 /nfs/dbraw/zinc/07/38/87/264073887.db2.gz HRDATEYIYZGSLP-JKSUJKDBSA-N 0 3 306.413 3.052 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2OC)C1(C)C ZINC000347243085 264182184 /nfs/dbraw/zinc/18/21/84/264182184.db2.gz TZXWJEKSXKVXNC-SJORKVTESA-N 0 3 302.418 3.202 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2OC)C1(C)C ZINC000347243082 264182316 /nfs/dbraw/zinc/18/23/16/264182316.db2.gz TZXWJEKSXKVXNC-DLBZAZTESA-N 0 3 302.418 3.202 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000347259489 264185875 /nfs/dbraw/zinc/18/58/75/264185875.db2.gz MZNFIDZNUHQIKH-UHFFFAOYSA-N 0 3 324.424 3.258 20 30 DGEDHN CN(C)CCOc1ccccc1CNc1ccc(F)cc1C#N ZINC000357229789 270003766 /nfs/dbraw/zinc/00/37/66/270003766.db2.gz VWBSKYJFOVAFMA-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1F ZINC000359003412 270003933 /nfs/dbraw/zinc/00/39/33/270003933.db2.gz OAOXBLLRRIXYCR-DJIMGWMZSA-N 0 3 300.377 3.135 20 30 DGEDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000358608514 270004070 /nfs/dbraw/zinc/00/40/70/270004070.db2.gz HOYJKBDAJVCDTH-NWDGAFQWSA-N 0 3 305.447 3.457 20 30 DGEDHN COC(=O)c1cccc(CN(C(C)C)C2CCCC2)c1C#N ZINC000534470073 270004998 /nfs/dbraw/zinc/00/49/98/270004998.db2.gz MBWGZBVEPJWPRZ-UHFFFAOYSA-N 0 3 300.402 3.498 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000352863816 265204403 /nfs/dbraw/zinc/20/44/03/265204403.db2.gz WUFKZJXVHQIHSN-CFVMTHIKSA-N 0 3 310.319 3.234 20 30 DGEDHN CC(C)[C@H](CNc1cnccc1C#N)N1CCc2ccccc2C1 ZINC000354575598 265901004 /nfs/dbraw/zinc/90/10/04/265901004.db2.gz HWECHKXBGADAIO-FQEVSTJZSA-N 0 3 320.440 3.448 20 30 DGEDHN CCC1(CC)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000362605760 266008508 /nfs/dbraw/zinc/00/85/08/266008508.db2.gz ILFRQMFOLDSGTP-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000351966596 266032714 /nfs/dbraw/zinc/03/27/14/266032714.db2.gz ZVPSGASGAORNDF-MRXNPFEDSA-N 0 3 317.408 3.082 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@]2(CO)Cc2ccccc2)c(F)c1 ZINC000355352308 266047688 /nfs/dbraw/zinc/04/76/88/266047688.db2.gz NGMLHIMHHGIPEB-HXUWFJFHSA-N 0 3 324.399 3.267 20 30 DGEDHN CCN(C)C(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363719397 266099898 /nfs/dbraw/zinc/09/98/98/266099898.db2.gz OVYKWROJFFWHHD-HNNXBMFYSA-N 0 3 321.424 3.354 20 30 DGEDHN CCN(CCCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000353656545 266124629 /nfs/dbraw/zinc/12/46/29/266124629.db2.gz SKOIBVFNEMJFSC-UHFFFAOYSA-N 0 3 324.424 3.342 20 30 DGEDHN CCN(Cc1ccc2c(c1)nnn2C)[C@@H](C)c1ccc(C#N)cc1 ZINC000351608295 266135863 /nfs/dbraw/zinc/13/58/63/266135863.db2.gz PGKHMHLPWGASDC-AWEZNQCLSA-N 0 3 319.412 3.423 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCCC2 ZINC000361563309 266301842 /nfs/dbraw/zinc/30/18/42/266301842.db2.gz KBTNORJZDIEGDQ-MSOLQXFVSA-N 0 3 315.461 3.456 20 30 DGEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528395 266372034 /nfs/dbraw/zinc/37/20/34/266372034.db2.gz LPUNQWAAWMFTEB-SMDDNHRTSA-N 0 3 305.809 3.413 20 30 DGEDHN CN(CCN[C@@H]1CCc2ccc(C#N)cc21)Cc1ccc(F)cc1 ZINC000353253229 266545644 /nfs/dbraw/zinc/54/56/44/266545644.db2.gz KVHKJDIPDZLXHF-HXUWFJFHSA-N 0 3 323.415 3.406 20 30 DGEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000247480233 432233326 /nfs/dbraw/zinc/23/33/26/432233326.db2.gz FNPHSQHIVOVNHA-NWDGAFQWSA-N 0 3 319.474 3.413 20 30 DGEDHN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CN1C1CC1 ZINC000619696952 425106705 /nfs/dbraw/zinc/10/67/05/425106705.db2.gz QFFLGAMURMKWEK-ZJUUUORDSA-N 0 3 310.323 3.009 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000131746211 267001064 /nfs/dbraw/zinc/00/10/64/267001064.db2.gz MMLBMIRLXNGQNY-RDJZCZTQSA-N 0 3 314.429 3.137 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000358885840 267025710 /nfs/dbraw/zinc/02/57/10/267025710.db2.gz VEZLSUQVJAZZNT-UMVBOHGHSA-N 0 3 318.852 3.448 20 30 DGEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2ccc(C#N)s2)C1 ZINC000362921219 267075689 /nfs/dbraw/zinc/07/56/89/267075689.db2.gz AVOISQIKQVICAI-CHWSQXEVSA-N 0 3 319.474 3.106 20 30 DGEDHN C[C@@H]1C[C@H](c2cccnc2)N(CCOc2ccccc2C#N)C1 ZINC000364103401 267092678 /nfs/dbraw/zinc/09/26/78/267092678.db2.gz QWLPDOJDWCGNSS-CRAIPNDOSA-N 0 3 307.397 3.415 20 30 DGEDHN CCOC(=O)C(C)(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510146073 267111681 /nfs/dbraw/zinc/11/16/81/267111681.db2.gz VENSFRLGFJURKR-UHFFFAOYSA-N 0 3 314.429 3.360 20 30 DGEDHN C[C@H](CNc1c(C#N)nnc2ccccc21)N1CCCC[C@@H]1C ZINC000354311970 267163191 /nfs/dbraw/zinc/16/31/91/267163191.db2.gz OOOPTHWWRQTOSD-UONOGXRCSA-N 0 3 309.417 3.176 20 30 DGEDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348785436 267221694 /nfs/dbraw/zinc/22/16/94/267221694.db2.gz BMCUHMQLHMUDIF-HOTGVXAUSA-N 0 3 323.440 3.047 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000356119558 268076574 /nfs/dbraw/zinc/07/65/74/268076574.db2.gz FLAQHOMCBDLCHU-LSDHHAIUSA-N 0 3 310.319 3.234 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)OCCO3)CC2 ZINC000353358617 268223394 /nfs/dbraw/zinc/22/33/94/268223394.db2.gz YEOIDJKPXWZTBK-QGZVFWFLSA-N 0 3 306.365 3.107 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H]1c1ccccc1 ZINC000348528727 268278476 /nfs/dbraw/zinc/27/84/76/268278476.db2.gz ZQWNSOHUIPAOMD-GOSISDBHSA-N 0 3 305.381 3.334 20 30 DGEDHN N#Cc1ccnc(NC[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000367720383 268298390 /nfs/dbraw/zinc/29/83/90/268298390.db2.gz KWKKCPOILQNYDO-GOSISDBHSA-N 0 3 306.413 3.277 20 30 DGEDHN N#Cc1ccncc1NC1CCN(CCc2ccccc2)CC1 ZINC000362337924 268300632 /nfs/dbraw/zinc/30/06/32/268300632.db2.gz ZAPTZANSEKHJNX-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN Cc1ccc(NC(=O)c2cccc(C#N)c2)c(OCCN(C)C)c1 ZINC000151367392 432241576 /nfs/dbraw/zinc/24/15/76/432241576.db2.gz MUEMXUGNYVWQAJ-UHFFFAOYSA-N 0 3 323.396 3.059 20 30 DGEDHN Cn1cc(CN2CCC(COc3ccccc3)CC2)cc1C#N ZINC000191264905 432242691 /nfs/dbraw/zinc/24/26/91/432242691.db2.gz PFKQGSYZKWHCFI-UHFFFAOYSA-N 0 3 309.413 3.188 20 30 DGEDHN CC[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1Cl ZINC000191285449 432245646 /nfs/dbraw/zinc/24/56/46/432245646.db2.gz WPVZHFJFRNJUIS-HNNXBMFYSA-N 0 3 317.820 3.497 20 30 DGEDHN CCOC(=O)CC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362970795 269662647 /nfs/dbraw/zinc/66/26/47/269662647.db2.gz XAKOIYYDNSLRSM-UHFFFAOYSA-N 0 3 300.402 3.032 20 30 DGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(N2CCCC2)c1 ZINC000191309616 432247785 /nfs/dbraw/zinc/24/77/85/432247785.db2.gz DPUAFHUWTQCMCL-OAHLLOKOSA-N 0 3 308.429 3.348 20 30 DGEDHN N#CC(C(=O)c1csc(Cl)c1)c1nnc2n1CCCCC2 ZINC000191376595 432256615 /nfs/dbraw/zinc/25/66/15/432256615.db2.gz KEUZUFIHGROHNO-JTQLQIEISA-N 0 3 320.805 3.209 20 30 DGEDHN C[C@@H]1CN2CCCC[C@H]2CN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443522814 274373365 /nfs/dbraw/zinc/37/33/65/274373365.db2.gz NHXIJNGCASUDPE-NEPJUHHUSA-N 0 3 324.350 3.035 20 30 DGEDHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057554503 274810442 /nfs/dbraw/zinc/81/04/42/274810442.db2.gz WWMNRRAWESDHLQ-HOTGVXAUSA-N 0 3 313.445 3.377 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CCCC[C@@H]2C)CC1 ZINC000458322568 275738820 /nfs/dbraw/zinc/73/88/20/275738820.db2.gz OLKHFLNQESIHRG-YJBOKZPZSA-N 0 3 307.482 3.295 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC2(CCCCC2)C1 ZINC000111323730 276350401 /nfs/dbraw/zinc/35/04/01/276350401.db2.gz OKKGYXOYSXZGKS-INIZCTEOSA-N 0 3 305.466 3.041 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000472873442 276883778 /nfs/dbraw/zinc/88/37/78/276883778.db2.gz WTFUWTWMYKPHNV-SFHVURJKSA-N 0 3 315.461 3.479 20 30 DGEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158582228 276909544 /nfs/dbraw/zinc/90/95/44/276909544.db2.gz RAYYUHMFJOLTNT-XHSDSOJGSA-N 0 3 309.475 3.348 20 30 DGEDHN COC(=O)C[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000179143287 277330311 /nfs/dbraw/zinc/33/03/11/277330311.db2.gz PTCAWWSXJBOTCE-OAHLLOKOSA-N 0 3 300.402 3.015 20 30 DGEDHN CC(C)C(=O)NC[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246419212 277333896 /nfs/dbraw/zinc/33/38/96/277333896.db2.gz RMTHRZMFWUXCFQ-NVXWUHKLSA-N 0 3 313.445 3.103 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC)cc1 ZINC000299389079 277773399 /nfs/dbraw/zinc/77/33/99/277773399.db2.gz IWOWIUDOUHPODQ-GJZGRUSLSA-N 0 3 304.434 3.159 20 30 DGEDHN C=C(C)COCCN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000338797704 277778111 /nfs/dbraw/zinc/77/81/11/277778111.db2.gz YDVGKBMBCXBNPE-ZWKOTPCHSA-N 0 3 317.429 3.351 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ncc(C)s1)C(C)C ZINC000339060258 277849391 /nfs/dbraw/zinc/84/93/91/277849391.db2.gz IBGUOKRFJTZJIM-AWEZNQCLSA-N 0 3 322.478 3.272 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(OC)CCCCC1)C(C)C ZINC000475298361 277849885 /nfs/dbraw/zinc/84/98/85/277849885.db2.gz RRSUYNYWBGHPQO-QGZVFWFLSA-N 0 3 322.493 3.151 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000618568652 430594546 /nfs/dbraw/zinc/59/45/46/430594546.db2.gz SBFQILALRMHTDZ-NVXWUHKLSA-N 0 3 321.428 3.227 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000495173530 277898641 /nfs/dbraw/zinc/89/86/41/277898641.db2.gz KHZWDVORFOCFAV-MSOLQXFVSA-N 0 3 315.461 3.348 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000496993269 278247552 /nfs/dbraw/zinc/24/75/52/278247552.db2.gz BQDFYZFOHQPYEJ-DZKIICNBSA-N 0 3 321.465 3.304 20 30 DGEDHN CC(C)(C#N)CCN1CCN(CCC(C)(C)C#N)C(C)(C)C1 ZINC000345723127 278257321 /nfs/dbraw/zinc/25/73/21/278257321.db2.gz GFOXGMYPIPVGCC-UHFFFAOYSA-N 0 3 304.482 3.262 20 30 DGEDHN CC(C)N(C)C(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411172828 279320280 /nfs/dbraw/zinc/32/02/80/279320280.db2.gz JDWBQHTXPJANKW-UHFFFAOYSA-N 0 3 319.493 3.429 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000111259277 431203560 /nfs/dbraw/zinc/20/35/60/431203560.db2.gz YXKLSOWPUHACJN-CQSZACIVSA-N 0 3 304.409 3.071 20 30 DGEDHN CCOCCOCc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000069681113 431211591 /nfs/dbraw/zinc/21/15/91/431211591.db2.gz ORRUTSQEVLATAV-UHFFFAOYSA-N 0 3 324.424 3.401 20 30 DGEDHN COCCOc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000069674714 431212542 /nfs/dbraw/zinc/21/25/42/431212542.db2.gz KHBVHNCCUHRBMR-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN CCOCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000069710161 431217114 /nfs/dbraw/zinc/21/71/14/431217114.db2.gz YJYBMNUQCPTZDO-UHFFFAOYSA-N 0 3 310.397 3.263 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000111644922 431229757 /nfs/dbraw/zinc/22/97/57/431229757.db2.gz BCMGXNNTHOIRQT-XHSDSOJGSA-N 0 3 316.445 3.129 20 30 DGEDHN CN(C)Cc1cccc(CNC(=O)Nc2ccc(CC#N)cc2)c1 ZINC000071901789 431311401 /nfs/dbraw/zinc/31/14/01/431311401.db2.gz MWKQAKMTWBSPCD-UHFFFAOYSA-N 0 3 322.412 3.136 20 30 DGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000073477523 431372505 /nfs/dbraw/zinc/37/25/05/431372505.db2.gz FFAJLAWEBQTIMU-CYBMUJFWSA-N 0 3 317.458 3.219 20 30 DGEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000114723864 431407042 /nfs/dbraw/zinc/40/70/42/431407042.db2.gz NOXJAQHLNWQGES-UHFFFAOYSA-N 0 3 303.793 3.214 20 30 DGEDHN CN(CCCSCC#N)Cc1ccccc1N1CCCC1 ZINC000074980402 431444477 /nfs/dbraw/zinc/44/44/77/431444477.db2.gz DROCGFLAQPNOQV-UHFFFAOYSA-N 0 3 303.475 3.365 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)c2cccc(F)c2)CC1 ZINC000116194001 431494400 /nfs/dbraw/zinc/49/44/00/431494400.db2.gz KYBLIWXWPXCNTI-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000116937764 431538838 /nfs/dbraw/zinc/53/88/38/431538838.db2.gz BWIQSUZJESBLRM-OAHLLOKOSA-N 0 3 315.461 3.087 20 30 DGEDHN CCCCNC(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395374 431605111 /nfs/dbraw/zinc/60/51/11/431605111.db2.gz MFHBHTSRQROVIB-MAUKXSAKSA-N 0 3 313.445 3.248 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000117874430 431583123 /nfs/dbraw/zinc/58/31/23/431583123.db2.gz SOVLIGZPLAHBFE-UHFFFAOYSA-N 0 3 306.837 3.454 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)C[C@H](N)c1ccccc1 ZINC000118974903 431629762 /nfs/dbraw/zinc/62/97/62/431629762.db2.gz IWJUGSCSUUNGNS-IBGZPJMESA-N 0 3 308.425 3.334 20 30 DGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCN(C)C ZINC000078579936 431685857 /nfs/dbraw/zinc/68/58/57/431685857.db2.gz WPKYDRZWUIMAQA-CYBMUJFWSA-N 0 3 320.462 3.106 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027568904 431690049 /nfs/dbraw/zinc/69/00/49/431690049.db2.gz JNPSNCXUZCGTQM-SFHVURJKSA-N 0 3 319.408 3.409 20 30 DGEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000120249914 431723749 /nfs/dbraw/zinc/72/37/49/431723749.db2.gz QECZQCSKXASTFQ-RDJZCZTQSA-N 0 3 319.836 3.189 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121209664 431753018 /nfs/dbraw/zinc/75/30/18/431753018.db2.gz YCRZFCIMVUWWEU-HOCLYGCPSA-N 0 3 310.401 3.080 20 30 DGEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000079324905 431723028 /nfs/dbraw/zinc/72/30/28/431723028.db2.gz KKOJDVRIJDPOCX-HZPDHXFCSA-N 0 3 313.445 3.377 20 30 DGEDHN N#CC(C(=O)c1cccc(OC(F)(F)F)c1)c1ccccn1 ZINC000121510038 431797572 /nfs/dbraw/zinc/79/75/72/431797572.db2.gz DJAPATYWPCWGJL-LBPRGKRZSA-N 0 3 306.243 3.470 20 30 DGEDHN C=CCN(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000121583856 431804076 /nfs/dbraw/zinc/80/40/76/431804076.db2.gz RBEXUKPBCYVOJR-GFCCVEGCSA-N 0 3 317.458 3.191 20 30 DGEDHN C=CCN(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000121584029 431804088 /nfs/dbraw/zinc/80/40/88/431804088.db2.gz RBEXUKPBCYVOJR-LBPRGKRZSA-N 0 3 317.458 3.191 20 30 DGEDHN N#CC(C(=O)Nc1ccccn1)c1nc(-c2ccccc2)cs1 ZINC000121953759 431808279 /nfs/dbraw/zinc/80/82/79/431808279.db2.gz VMHKRTKFKRUKBL-CYBMUJFWSA-N 0 3 320.377 3.451 20 30 DGEDHN CCCCn1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000121872661 431808609 /nfs/dbraw/zinc/80/86/09/431808609.db2.gz LMYGKAFNJGRSBO-ZDUSSCGKSA-N 0 3 321.384 3.358 20 30 DGEDHN CC(C)Oc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000089492562 431867991 /nfs/dbraw/zinc/86/79/91/431867991.db2.gz ZZJCSSJOVRMZEH-AWEZNQCLSA-N 0 3 320.352 3.235 20 30 DGEDHN C=CCc1cc(CN(CC)C[C@@H]2CCCO2)cc(OC)c1O ZINC000092407253 431908442 /nfs/dbraw/zinc/90/84/42/431908442.db2.gz NLEWPFDCBJCHCG-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CC1CCN(Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000093359311 431914184 /nfs/dbraw/zinc/91/41/84/431914184.db2.gz FDEOMUGFBKOBDV-UHFFFAOYSA-N 0 3 313.401 3.355 20 30 DGEDHN C=CCOc1ccc(CN2CCC(CC)(CO)CC2)cc1OC ZINC000093592081 431916171 /nfs/dbraw/zinc/91/61/71/431916171.db2.gz NHTQEOFXDDRAER-UHFFFAOYSA-N 0 3 319.445 3.245 20 30 DGEDHN CN(CCC(=O)Nc1sccc1C#N)Cc1cccc(F)c1 ZINC000045312669 431883990 /nfs/dbraw/zinc/88/39/90/431883990.db2.gz UDINRWRCOLPNMS-UHFFFAOYSA-N 0 3 317.389 3.219 20 30 DGEDHN C=CCOc1ccccc1CNC1CCN(c2ccccn2)CC1 ZINC000124340196 431890800 /nfs/dbraw/zinc/89/08/00/431890800.db2.gz YKEGCDYZFVYFOE-UHFFFAOYSA-N 0 3 323.440 3.405 20 30 DGEDHN CCN(CC)C(=O)C[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000090664497 431893565 /nfs/dbraw/zinc/89/35/65/431893565.db2.gz OWFBPOCSEVPAQS-NVXWUHKLSA-N 0 3 301.434 3.268 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CSC)CC1 ZINC000184822650 335090194 /nfs/dbraw/zinc/09/01/94/335090194.db2.gz RZCLEXYTGFKXSO-UHFFFAOYSA-N 0 3 319.474 3.322 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000125833932 431936891 /nfs/dbraw/zinc/93/68/91/431936891.db2.gz HGJBQYQTWUVHGI-JKSUJKDBSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000125964966 431939314 /nfs/dbraw/zinc/93/93/14/431939314.db2.gz HHTNVTOGDWXDBP-AWEZNQCLSA-N 0 3 322.424 3.079 20 30 DGEDHN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCCCC1 ZINC000126223526 431945648 /nfs/dbraw/zinc/94/56/48/431945648.db2.gz XNMRVWOSDDVQJZ-GOSISDBHSA-N 0 3 305.466 3.087 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCCCC1 ZINC000097056240 431958833 /nfs/dbraw/zinc/95/88/33/431958833.db2.gz YOKJXHPDHJPVTR-PQUAAJSLSA-N 0 3 305.466 3.182 20 30 DGEDHN C=CCN(CCc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000054174531 431969043 /nfs/dbraw/zinc/96/90/43/431969043.db2.gz XNJDNSDJUCOUSP-UHFFFAOYSA-N 0 3 319.408 3.154 20 30 DGEDHN Cc1ccc([C@@H](CNCc2cccc(C#N)c2)N2CCCC2)o1 ZINC000101599829 431986653 /nfs/dbraw/zinc/98/66/53/431986653.db2.gz ZCUQROBLDYIOPH-GOSISDBHSA-N 0 3 309.413 3.386 20 30 DGEDHN COc1ccc(CN[C@@H](C)C[C@H](O)c2ccccc2)cc1C#N ZINC000270702814 432279165 /nfs/dbraw/zinc/27/91/65/432279165.db2.gz YNQUEFHCQXYNAZ-KSSFIOAISA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCN(CCOC)Cc1ccc(OCc2ccncc2)cc1 ZINC000191763925 432299442 /nfs/dbraw/zinc/29/94/42/432299442.db2.gz AZLDCUMNHWZWCK-UHFFFAOYSA-N 0 3 312.413 3.295 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000271032911 432317902 /nfs/dbraw/zinc/31/79/02/432317902.db2.gz JCLUQNMOLDXMAL-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000192136554 432336919 /nfs/dbraw/zinc/33/69/19/432336919.db2.gz AWUWMGFTDIJCGM-RHSMWYFYSA-N 0 3 304.459 3.051 20 30 DGEDHN Cc1nc(C[C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000249406173 432346984 /nfs/dbraw/zinc/34/69/84/432346984.db2.gz WTNJOIGGGDSGHP-CJNGLKHVSA-N 0 3 310.401 3.265 20 30 DGEDHN C=CCOc1ccc(CN(C)CCOCC2CC2)cc1OC ZINC000271198873 432351365 /nfs/dbraw/zinc/35/13/65/432351365.db2.gz VNKVFYOCHUGAEK-UHFFFAOYSA-N 0 3 305.418 3.118 20 30 DGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N(CC)CC ZINC000270992077 432312274 /nfs/dbraw/zinc/31/22/74/432312274.db2.gz HZSHTLRFEMBHFI-HUUCEWRRSA-N 0 3 307.825 3.141 20 30 DGEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000252443130 432376366 /nfs/dbraw/zinc/37/63/66/432376366.db2.gz PJYXUDQCJBFOGV-HZPDHXFCSA-N 0 3 301.434 3.300 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000192509054 432382211 /nfs/dbraw/zinc/38/22/11/432382211.db2.gz ILMQOMQQCOUFLV-LJQANCHMSA-N 0 3 316.445 3.161 20 30 DGEDHN CCN(C1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192544742 432385123 /nfs/dbraw/zinc/38/51/23/432385123.db2.gz DBHBZQJNBKASKM-SFHVURJKSA-N 0 3 311.429 3.318 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000271386500 432386366 /nfs/dbraw/zinc/38/63/66/432386366.db2.gz STICYDZQHPJPBB-PKOBYXMFSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000152825450 432360713 /nfs/dbraw/zinc/36/07/13/432360713.db2.gz FOZGQQFXUKDWOQ-DLBZAZTESA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCSCCNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000152915666 432369201 /nfs/dbraw/zinc/36/92/01/432369201.db2.gz ZCTSMJPIMCPMHG-UHFFFAOYSA-N 0 3 322.865 3.122 20 30 DGEDHN C=CCN1CCC(NC(=O)N([C@H](C)[C@H](C)CC)C2CC2)CC1 ZINC000175477566 432440300 /nfs/dbraw/zinc/44/03/00/432440300.db2.gz BLEFPLVOGWGQPU-HUUCEWRRSA-N 0 3 307.482 3.245 20 30 DGEDHN CC(C)N(CCO[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000193046333 432441665 /nfs/dbraw/zinc/44/16/65/432441665.db2.gz NSJSPMRGOYTOFA-GOSISDBHSA-N 0 3 302.418 3.312 20 30 DGEDHN C=CCN1CCC(NCc2cnc(-c3ccco3)s2)CC1 ZINC000193092849 432448656 /nfs/dbraw/zinc/44/86/56/432448656.db2.gz LUMFCZPRHBFLNJ-UHFFFAOYSA-N 0 3 303.431 3.143 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000184997417 432454207 /nfs/dbraw/zinc/45/42/07/432454207.db2.gz GPPGYQQXIQXXMA-GOSISDBHSA-N 0 3 300.446 3.379 20 30 DGEDHN Cc1sc(NC(=O)CN[C@@H](C)C2CCCC2)c(C#N)c1C ZINC000184665925 432419678 /nfs/dbraw/zinc/41/96/78/432419678.db2.gz LKTJTDBPCGPHGW-NSHDSACASA-N 0 3 305.447 3.343 20 30 DGEDHN CCc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000192853142 432422581 /nfs/dbraw/zinc/42/25/81/432422581.db2.gz WTZLIWMWEWTQAJ-AWEZNQCLSA-N 0 3 307.397 3.410 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CCC=C)c2ccccc2)CC1 ZINC000154247112 432484409 /nfs/dbraw/zinc/48/44/09/432484409.db2.gz JQSYITXFDYQLLN-IBGZPJMESA-N 0 3 310.441 3.155 20 30 DGEDHN COc1ccc(CN2CCc3cccc(OC)c3CC2)cc1C#N ZINC000193704035 432492258 /nfs/dbraw/zinc/49/22/58/432492258.db2.gz LFYMCYCUPDYTTB-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN C=CCCCCCN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193319075 432464853 /nfs/dbraw/zinc/46/48/53/432464853.db2.gz CPFSWHPNDVFUAG-UHFFFAOYSA-N 0 3 322.474 3.163 20 30 DGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)cc2F)sc1C ZINC000155653146 432565329 /nfs/dbraw/zinc/56/53/29/432565329.db2.gz ZACNVBJEMTZFSK-SNVBAGLBSA-N 0 3 307.325 3.284 20 30 DGEDHN CC1CCN([C@@H](CNC(=O)CCCC#N)c2ccccc2)CC1 ZINC000360032982 281834085 /nfs/dbraw/zinc/83/40/85/281834085.db2.gz MKHFQAVZQAAQNR-SFHVURJKSA-N 0 3 313.445 3.270 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000272558460 432524116 /nfs/dbraw/zinc/52/41/16/432524116.db2.gz LLDNLGAFYHNGFB-GOSISDBHSA-N 0 3 322.408 3.490 20 30 DGEDHN Cc1cc(C2CCN(Cc3ccc(OCC#N)cc3)CC2)n[nH]1 ZINC000273018347 432537961 /nfs/dbraw/zinc/53/79/61/432537961.db2.gz RRRDXBHRYSRWLG-UHFFFAOYSA-N 0 3 310.401 3.000 20 30 DGEDHN Cc1cc(C2CCN(Cc3ccc(OCC#N)cc3)CC2)[nH]n1 ZINC000273018347 432537965 /nfs/dbraw/zinc/53/79/65/432537965.db2.gz RRRDXBHRYSRWLG-UHFFFAOYSA-N 0 3 310.401 3.000 20 30 DGEDHN C=CCN(CCOCC(F)(F)F)Cc1ccc(OC)cc1 ZINC000194311817 432539815 /nfs/dbraw/zinc/53/98/15/432539815.db2.gz WNHVNLYDXZMYBI-UHFFFAOYSA-N 0 3 303.324 3.262 20 30 DGEDHN N#Cc1ccc(CNCCc2nccn2Cc2ccccc2)s1 ZINC000176945993 432568822 /nfs/dbraw/zinc/56/88/22/432568822.db2.gz SXAISRCSLIVSLA-UHFFFAOYSA-N 0 3 322.437 3.197 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000176946855 432569695 /nfs/dbraw/zinc/56/96/95/432569695.db2.gz VZYAPYLWZRHZTD-INIZCTEOSA-N 0 3 311.454 3.374 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000176946866 432569848 /nfs/dbraw/zinc/56/98/48/432569848.db2.gz VZYAPYLWZRHZTD-MRXNPFEDSA-N 0 3 311.454 3.374 20 30 DGEDHN CC(C)Oc1ccc([C@@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000176971171 432570611 /nfs/dbraw/zinc/57/06/11/432570611.db2.gz ZDZPSTXRYYEKLF-KRWDZBQOSA-N 0 3 316.426 3.230 20 30 DGEDHN N#Cc1ccc(CNCCc2nc3c(s2)CCCC3)s1 ZINC000176969388 432570982 /nfs/dbraw/zinc/57/09/82/432570982.db2.gz NOGPKFFHDRSIQP-UHFFFAOYSA-N 0 3 303.456 3.287 20 30 DGEDHN COc1cccc(O[C@H](C)CNCc2ccc(C#N)s2)c1 ZINC000176977997 432573210 /nfs/dbraw/zinc/57/32/10/432573210.db2.gz XYVGYAFZQYUWME-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN Cc1cc(C#N)ccc1CN(CCO)[C@@H]1CCc2ccccc21 ZINC000186251614 432574926 /nfs/dbraw/zinc/57/49/26/432574926.db2.gz VRGOAPNGENDTRQ-HXUWFJFHSA-N 0 3 306.409 3.349 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186311045 432580650 /nfs/dbraw/zinc/58/06/50/432580650.db2.gz PTIGYASIFZTYAQ-INIZCTEOSA-N 0 3 314.429 3.422 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000186332093 432582395 /nfs/dbraw/zinc/58/23/95/432582395.db2.gz UMQAXOHRQANWPV-KRWDZBQOSA-N 0 3 314.429 3.420 20 30 DGEDHN Cc1ccnc(NC2CCN(CCc3ccccc3)CC2)c1C#N ZINC000273355571 432588874 /nfs/dbraw/zinc/58/88/74/432588874.db2.gz PYFSINYFPREAAL-UHFFFAOYSA-N 0 3 320.440 3.381 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CC(C)C)C2)CC1 ZINC000177247922 432604432 /nfs/dbraw/zinc/60/44/32/432604432.db2.gz KPBHFHRUZRSRGI-INIZCTEOSA-N 0 3 307.482 3.105 20 30 DGEDHN CC[C@H](CC#N)N[C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177491577 432629440 /nfs/dbraw/zinc/62/94/40/432629440.db2.gz HWRSCFYJENIUIY-KFWWJZLASA-N 0 3 309.454 3.446 20 30 DGEDHN COc1ccccc1CN(C)CCCOc1cccc(C#N)c1 ZINC000195646079 432630752 /nfs/dbraw/zinc/63/07/52/432630752.db2.gz AOKBQYWXGXUGGZ-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN CCOC(=O)CCN(CCCC(C)(C)C#N)Cc1cccnc1 ZINC000274136033 432634735 /nfs/dbraw/zinc/63/47/35/432634735.db2.gz FZISNZNAGYMARU-UHFFFAOYSA-N 0 3 317.433 3.167 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000264384887 432641657 /nfs/dbraw/zinc/64/16/57/432641657.db2.gz JFRMTNYFDUNBRM-ZDUSSCGKSA-N 0 3 321.852 3.351 20 30 DGEDHN C=C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264427835 432644668 /nfs/dbraw/zinc/64/46/68/432644668.db2.gz BSAZDSFUKYCANY-UHFFFAOYSA-N 0 3 313.357 3.444 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000264446614 432646187 /nfs/dbraw/zinc/64/61/87/432646187.db2.gz XWLQVMFACYNXIV-OAHLLOKOSA-N 0 3 301.434 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)c2sc(C(C)(C)C)nc2C)CC1 ZINC000264464142 432648969 /nfs/dbraw/zinc/64/89/69/432648969.db2.gz HBAWUYMXZZFUKM-UHFFFAOYSA-N 0 3 321.490 3.129 20 30 DGEDHN C[C@H](CNCc1cc(C#N)cs1)N1CCc2ccccc2C1 ZINC000177683236 432649602 /nfs/dbraw/zinc/64/96/02/432649602.db2.gz VPXQKEWTCWJIOI-CQSZACIVSA-N 0 3 311.454 3.156 20 30 DGEDHN C=C(C)COc1cc(CNCCOCC2CC2)ccc1OC ZINC000264510112 432653506 /nfs/dbraw/zinc/65/35/06/432653506.db2.gz SELSIBJNDPEWQL-UHFFFAOYSA-N 0 3 305.418 3.166 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc3c(C)c(C)[nH]c32)CC1 ZINC000264529865 432655490 /nfs/dbraw/zinc/65/54/90/432655490.db2.gz ZVNHMXUNRMJDMF-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN Cc1nn(C)cc1[C@H](C)NCCSCc1ccccc1C#N ZINC000177821946 432665487 /nfs/dbraw/zinc/66/54/87/432665487.db2.gz MIEFYEPIJLVGEX-ZDUSSCGKSA-N 0 3 314.458 3.184 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264997832 432665642 /nfs/dbraw/zinc/66/56/42/432665642.db2.gz YPYGYLIVSWBOJY-MRXNPFEDSA-N 0 3 320.392 3.452 20 30 DGEDHN C=C(C)CN(CC)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000159012825 432665729 /nfs/dbraw/zinc/66/57/29/432665729.db2.gz HCHIEEMJJKIMJW-UHFFFAOYSA-N 0 3 313.401 3.246 20 30 DGEDHN C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000274679597 432698281 /nfs/dbraw/zinc/69/82/81/432698281.db2.gz ZTIPFQCKYQKYOI-KXBFYZLASA-N 0 3 321.424 3.174 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](C)CC2)CC1 ZINC000188000711 432698627 /nfs/dbraw/zinc/69/86/27/432698627.db2.gz ZTBBXWXCZKPTRZ-CVEARBPZSA-N 0 3 307.482 3.295 20 30 DGEDHN CN(CCc1nc2ccccc2n1C)Cc1cccc(C#N)c1 ZINC000265526378 432708613 /nfs/dbraw/zinc/70/86/13/432708613.db2.gz SSHICGPIBDGJDO-UHFFFAOYSA-N 0 3 304.397 3.119 20 30 DGEDHN CC[C@H](CNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000227712605 432714018 /nfs/dbraw/zinc/71/40/18/432714018.db2.gz YYRDWHDHVZWHIJ-GFCCVEGCSA-N 0 3 309.435 3.013 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccsc2)c([O-])c1 ZINC000265704127 432724301 /nfs/dbraw/zinc/72/43/01/432724301.db2.gz LJERFJMPUSLBRF-HJSBDDGSSA-N 0 3 318.442 3.452 20 30 DGEDHN C=CCN1CCC(N[C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000177911829 432673742 /nfs/dbraw/zinc/67/37/42/432673742.db2.gz JEIVGQXNYYLYOE-CQSZACIVSA-N 0 3 304.434 3.005 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cn(C)nc1C)C(C)C ZINC000177931436 432676432 /nfs/dbraw/zinc/67/64/32/432676432.db2.gz XORJNPZHMNEZLP-CRAIPNDOSA-N 0 3 304.482 3.078 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1 ZINC000265254808 432681535 /nfs/dbraw/zinc/68/15/35/432681535.db2.gz PLVFGXFVCBNZNP-AUUYWEPGSA-N 0 3 313.372 3.049 20 30 DGEDHN C[C@H](NC[C@@H](O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000224671278 432683851 /nfs/dbraw/zinc/68/38/51/432683851.db2.gz PCNBXZPQVKUUQR-BLLLJJGKSA-N 0 3 302.399 3.035 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000274636516 432691458 /nfs/dbraw/zinc/69/14/58/432691458.db2.gz JBXQGVLZGUEKGB-VXGBXAGGSA-N 0 3 321.396 3.261 20 30 DGEDHN COc1ccc(CNC[C@H](OC)C(C)C)cc1OCCCC#N ZINC000266646782 432775693 /nfs/dbraw/zinc/77/56/93/432775693.db2.gz WLRXTYHGXCLJHU-SFHVURJKSA-N 0 3 320.433 3.138 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cccc(C#N)n1 ZINC000267188490 432819979 /nfs/dbraw/zinc/81/99/79/432819979.db2.gz GXZDKWGQLUKIAA-YJBOKZPZSA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncccc1C#N ZINC000267214858 432823624 /nfs/dbraw/zinc/82/36/24/432823624.db2.gz MNTWLFFUGLSPNT-YJBOKZPZSA-N 0 3 306.413 3.276 20 30 DGEDHN CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000268042017 432839511 /nfs/dbraw/zinc/83/95/11/432839511.db2.gz YHGJNHJKEKUNHH-QGZVFWFLSA-N 0 3 313.445 3.341 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCN(C3CCCCC3)CC2)c1 ZINC000162907293 432838104 /nfs/dbraw/zinc/83/81/04/432838104.db2.gz MGPCRUHFYKLCHD-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN CC(C)(C#N)CCCN1CCC(NC(=O)c2ccsc2)CC1 ZINC000266936149 432800663 /nfs/dbraw/zinc/80/06/63/432800663.db2.gz UUYKAHASNCXQRS-UHFFFAOYSA-N 0 3 319.474 3.272 20 30 DGEDHN C(#CCN1CCC[C@H]1c1ccc[nH]1)CN1CCC[C@H]1c1ccc[nH]1 ZINC000276364839 432801226 /nfs/dbraw/zinc/80/12/26/432801226.db2.gz ZSERYZCGDGWQRH-PMACEKPBSA-N 0 3 322.456 3.320 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000246010287 432874665 /nfs/dbraw/zinc/87/46/65/432874665.db2.gz KVXBLEWENUROOZ-QZTJIDSGSA-N 0 3 307.409 3.134 20 30 DGEDHN C=CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000287972170 432881928 /nfs/dbraw/zinc/88/19/28/432881928.db2.gz JPIIUWIDGBEPOC-PBHICJAKSA-N 0 3 301.434 3.038 20 30 DGEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC2(CCCC2)CC1 ZINC000329964391 432885232 /nfs/dbraw/zinc/88/52/32/432885232.db2.gz TWOQBXVUZYNKMI-HNNXBMFYSA-N 0 3 316.449 3.016 20 30 DGEDHN C[C@H]1CCCN(CCNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329962192 432885299 /nfs/dbraw/zinc/88/52/99/432885299.db2.gz PCBHDPGQDVKVBK-ZDUSSCGKSA-N 0 3 305.422 3.369 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000329967594 432885696 /nfs/dbraw/zinc/88/56/96/432885696.db2.gz VRGJGMCQKCXVTE-QXSJWSMHSA-N 0 3 304.438 3.196 20 30 DGEDHN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000330022245 432889209 /nfs/dbraw/zinc/88/92/09/432889209.db2.gz ZFQBFBIQCSQYAH-AWEZNQCLSA-N 0 3 317.433 3.257 20 30 DGEDHN CN(C(=O)CC(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000278241920 432889335 /nfs/dbraw/zinc/88/93/35/432889335.db2.gz BABVEJBCAHVAIY-UHFFFAOYSA-N 0 3 313.445 3.049 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000288371537 432890823 /nfs/dbraw/zinc/89/08/23/432890823.db2.gz FCSLCADFSJEJJB-APWZRJJASA-N 0 3 313.445 3.049 20 30 DGEDHN O=C(N[C@@H](CO)c1ccsc1)[C@H]1CCCN1C1CCCC1 ZINC000330172499 432895140 /nfs/dbraw/zinc/89/51/40/432895140.db2.gz GMPOASYDUXFHCI-LSDHHAIUSA-N 0 3 308.447 3.145 20 30 DGEDHN C[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)N(C)C ZINC000330754487 432925619 /nfs/dbraw/zinc/92/56/19/432925619.db2.gz WQYUMGISIAXOGA-LBPRGKRZSA-N 0 3 323.485 3.212 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCC=C(C)C)CC1 ZINC000296797912 432928239 /nfs/dbraw/zinc/92/82/39/432928239.db2.gz YHGFWYVNBCRFMK-INIZCTEOSA-N 0 3 307.482 3.461 20 30 DGEDHN CC(C)(CNC([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330196153 432897084 /nfs/dbraw/zinc/89/70/84/432897084.db2.gz PTYZVMZUZJXXDO-HNNXBMFYSA-N 0 3 318.465 3.308 20 30 DGEDHN CC(C)(C#N)CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000278683865 432899150 /nfs/dbraw/zinc/89/91/50/432899150.db2.gz DMHBFGCZIPAOGM-AWEZNQCLSA-N 0 3 319.474 3.016 20 30 DGEDHN C[S@](=O)C[C@H](NCCCCC(C)(C)C#N)c1ccccc1 ZINC000278757884 432900828 /nfs/dbraw/zinc/90/08/28/432900828.db2.gz MMTMNMMQNWBDCX-KKSFZXQISA-N 0 3 306.475 3.416 20 30 DGEDHN CC[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278877689 432911581 /nfs/dbraw/zinc/91/15/81/432911581.db2.gz XPZBBZYOYOHEBJ-UFYCRDLUSA-N 0 3 324.424 3.084 20 30 DGEDHN C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)N1CCC[C@@H](C)C1 ZINC000330539726 432915225 /nfs/dbraw/zinc/91/52/25/432915225.db2.gz VCRFSOGVXHQBCG-KGLIPLIRSA-N 0 3 320.481 3.143 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330554204 432916703 /nfs/dbraw/zinc/91/67/03/432916703.db2.gz CZDSNEGVPKHFMA-TZMCWYRMSA-N 0 3 319.405 3.328 20 30 DGEDHN C=C[C@@H](CO)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000289559934 432968470 /nfs/dbraw/zinc/96/84/70/432968470.db2.gz AHYAUUHFJRDPIA-YGRLFVJLSA-N 0 3 306.406 3.455 20 30 DGEDHN C=C[C@@H](CO)N[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000289668504 432970955 /nfs/dbraw/zinc/97/09/55/432970955.db2.gz HBGORRJRQBJWKI-KBPBESRZSA-N 0 3 300.427 3.324 20 30 DGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(C#N)o1)Cc1ccncc1 ZINC000289384990 432953209 /nfs/dbraw/zinc/95/32/09/432953209.db2.gz CZQVFDUKTPPCCC-QGZVFWFLSA-N 0 3 324.428 3.033 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2=CCCCC2)cc1 ZINC000279344792 432957415 /nfs/dbraw/zinc/95/74/15/432957415.db2.gz IQZSVBBMVMSYMI-GOSISDBHSA-N 0 3 307.397 3.247 20 30 DGEDHN C[C@@H]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279364903 432959961 /nfs/dbraw/zinc/95/99/61/432959961.db2.gz RHJPQBRUVIUUOB-JLSDUUJJSA-N 0 3 309.413 3.183 20 30 DGEDHN C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000349879064 433027276 /nfs/dbraw/zinc/02/72/76/433027276.db2.gz WSADLJJQAIODPN-OLZOCXBDSA-N 0 3 319.836 3.062 20 30 DGEDHN CN(CCc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280313295 433032938 /nfs/dbraw/zinc/03/29/38/433032938.db2.gz GFPAEAVPKNDKPD-MRXNPFEDSA-N 0 3 323.421 3.003 20 30 DGEDHN CC1=C(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000280445511 433051897 /nfs/dbraw/zinc/05/18/97/433051897.db2.gz CYXHOGWCDCJXDN-UHFFFAOYSA-N 0 3 321.428 3.401 20 30 DGEDHN CN(C)CCN(C(=O)c1ccc(CC#N)cc1)C1CCCCC1 ZINC000270445742 289124807 /nfs/dbraw/zinc/12/48/07/289124807.db2.gz SSOGISVTDJSQHD-UHFFFAOYSA-N 0 3 313.445 3.089 20 30 DGEDHN CSc1ccccc1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000280504414 433064461 /nfs/dbraw/zinc/06/44/61/433064461.db2.gz QZDGXNCXDXWQGT-QGZVFWFLSA-N 0 3 312.438 3.446 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000290529215 433085226 /nfs/dbraw/zinc/08/52/26/433085226.db2.gz QOXWFVAXBZOZOE-SFHVURJKSA-N 0 3 309.413 3.376 20 30 DGEDHN CC[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280567263 433089142 /nfs/dbraw/zinc/08/91/42/433089142.db2.gz VHPNHKBGGLACIH-OLMNPRSZSA-N 0 3 309.413 3.326 20 30 DGEDHN Cc1nn(-c2ccccc2)cc1CNCCc1cccc(C#N)c1 ZINC000341496679 433096063 /nfs/dbraw/zinc/09/60/63/433096063.db2.gz ZWKJORSVLWAKLJ-UHFFFAOYSA-N 0 3 316.408 3.385 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000290629551 433121638 /nfs/dbraw/zinc/12/16/38/433121638.db2.gz CRZOOJWYLADHPU-KKSFZXQISA-N 0 3 320.436 3.018 20 30 DGEDHN C[C@H]1CCCN(CCNc2nc3cc(Cl)ccn3c2C#N)C1 ZINC000341541299 433122822 /nfs/dbraw/zinc/12/28/22/433122822.db2.gz YKGIDAZBOINZRN-LBPRGKRZSA-N 0 3 317.824 3.003 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000373230962 433138844 /nfs/dbraw/zinc/13/88/44/433138844.db2.gz OIVPAAGSKSUYNN-NVXWUHKLSA-N 0 3 324.428 3.091 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000373253307 433141975 /nfs/dbraw/zinc/14/19/75/433141975.db2.gz TYEFLKHSAYJAMV-QAPCUYQASA-N 0 3 314.429 3.226 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000453346902 433107187 /nfs/dbraw/zinc/10/71/87/433107187.db2.gz KJCUXDNCZQLGCE-OLMNPRSZSA-N 0 3 314.429 3.198 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000425133090 433108330 /nfs/dbraw/zinc/10/83/30/433108330.db2.gz SBDVGQMBVLCXJY-OAHLLOKOSA-N 0 3 321.424 3.453 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C)[C@H]1C ZINC000361332336 433114189 /nfs/dbraw/zinc/11/41/89/433114189.db2.gz RXHRMUHUBWBTRB-SYGRHNPNSA-N 0 3 305.466 3.036 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)s1 ZINC000425366860 433207537 /nfs/dbraw/zinc/20/75/37/433207537.db2.gz APLPKWGBXZEFEB-INIZCTEOSA-N 0 3 302.443 3.401 20 30 DGEDHN COc1ccc(CN(C)C)cc1NCc1ccc(C#N)s1 ZINC000157534331 292748159 /nfs/dbraw/zinc/74/81/59/292748159.db2.gz XTQGCXACJRBVLJ-UHFFFAOYSA-N 0 3 301.415 3.302 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(F)c3ccccc23)CC1 ZINC000280767414 433166411 /nfs/dbraw/zinc/16/64/11/433166411.db2.gz RLCKCSFSMZWATP-UHFFFAOYSA-N 0 3 312.388 3.359 20 30 DGEDHN COc1cccc(C2(NCCCCC#N)CCOCC2)c1F ZINC000447365184 433190569 /nfs/dbraw/zinc/19/05/69/433190569.db2.gz GRZAIVKUWRLDLK-UHFFFAOYSA-N 0 3 306.381 3.123 20 30 DGEDHN N#Cc1ccc(N2CCN(C3CCC3)CC2)cc1C(F)(F)F ZINC000336904691 433195993 /nfs/dbraw/zinc/19/59/93/433195993.db2.gz WAZRMASSWUWMDZ-UHFFFAOYSA-N 0 3 309.335 3.252 20 30 DGEDHN C[C@@H](CO)N(Cc1ccc(C#N)cc1OC(F)F)CC1CCC1 ZINC000361495409 433206139 /nfs/dbraw/zinc/20/61/39/433206139.db2.gz DRPJJURTQOPAEJ-LBPRGKRZSA-N 0 3 324.371 3.143 20 30 DGEDHN C=CCN[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000361517738 433222875 /nfs/dbraw/zinc/22/28/75/433222875.db2.gz BVSWWSXKCBFIGP-NSHDSACASA-N 0 3 314.223 3.047 20 30 DGEDHN COCCOCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000291145707 433223674 /nfs/dbraw/zinc/22/36/74/433223674.db2.gz IBIHVVNSLWIOGF-ZWKOTPCHSA-N 0 3 302.418 3.022 20 30 DGEDHN CN(C[C@@H]1CCCN1C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000420628939 433233289 /nfs/dbraw/zinc/23/32/89/433233289.db2.gz BPSIHGFOKOMEMV-AWEZNQCLSA-N 0 3 314.820 3.290 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000337627836 433248350 /nfs/dbraw/zinc/24/83/50/433248350.db2.gz BGNGIJNUUSYNSZ-MSOLQXFVSA-N 0 3 312.457 3.373 20 30 DGEDHN C[C@@H]1CC[C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)O1 ZINC000453627164 433249342 /nfs/dbraw/zinc/24/93/42/433249342.db2.gz HVJUIRMKLVPUIS-CRAIPNDOSA-N 0 3 324.428 3.121 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)cn1 ZINC000337801366 433261304 /nfs/dbraw/zinc/26/13/04/433261304.db2.gz IINVKEUPNMAMBI-SFHVURJKSA-N 0 3 320.440 3.666 20 30 DGEDHN C[C@H]1CCN(c2ncc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000413173124 433263618 /nfs/dbraw/zinc/26/36/18/433263618.db2.gz QLMIXGYHCPDOGO-HNNXBMFYSA-N 0 3 324.403 3.193 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413915937 433314015 /nfs/dbraw/zinc/31/40/15/433314015.db2.gz OCIOFBUXEADFLI-UHFFFAOYSA-N 0 3 308.397 3.307 20 30 DGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000361595047 433277119 /nfs/dbraw/zinc/27/71/19/433277119.db2.gz SCPCQXHLHFYXLL-PXAZEXFGSA-N 0 3 317.820 3.416 20 30 DGEDHN C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000298933531 433281756 /nfs/dbraw/zinc/28/17/56/433281756.db2.gz PGNDREXNGBPZTO-RSUWNVLCSA-N 0 3 319.836 3.282 20 30 DGEDHN C[C@@H]1CC[C@@H](N(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000447877615 433310668 /nfs/dbraw/zinc/31/06/68/433310668.db2.gz IGKKJYQBLNZLMH-OLMNPRSZSA-N 0 3 311.429 3.174 20 30 DGEDHN N#CCOc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281711735 433356680 /nfs/dbraw/zinc/35/66/80/433356680.db2.gz UALDHGIUBQTZAG-SFHVURJKSA-N 0 3 311.360 3.364 20 30 DGEDHN C=CCSCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299314228 433360970 /nfs/dbraw/zinc/36/09/70/433360970.db2.gz VKBJEDSYOWBISO-UHFFFAOYSA-N 0 3 318.486 3.322 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cc2n(n1)CCC2)C(C)C ZINC000414053167 433363597 /nfs/dbraw/zinc/36/35/97/433363597.db2.gz AMSVCOMYPHJLDN-VQIMIIECSA-N 0 3 316.493 3.179 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000375122891 433365759 /nfs/dbraw/zinc/36/57/59/433365759.db2.gz DGTBKTUKYGWDEN-AEFFLSMTSA-N 0 3 312.457 3.063 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000299426825 433366472 /nfs/dbraw/zinc/36/64/72/433366472.db2.gz TVWWKHYZFKXVHI-NVXWUHKLSA-N 0 3 313.445 3.458 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000375016118 433332459 /nfs/dbraw/zinc/33/24/59/433332459.db2.gz XOIYZHWMWWULQY-HOTGVXAUSA-N 0 3 302.393 3.336 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000375016119 433332544 /nfs/dbraw/zinc/33/25/44/433332544.db2.gz XOIYZHWMWWULQY-HZPDHXFCSA-N 0 3 302.393 3.336 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375012098 433334230 /nfs/dbraw/zinc/33/42/30/433334230.db2.gz JUFLUECFPDZABM-IRXDYDNUSA-N 0 3 314.429 3.205 20 30 DGEDHN COc1cc(CNCc2ccc3c(c2)CCCN3C)ccc1C#N ZINC000281655547 433338731 /nfs/dbraw/zinc/33/87/31/433338731.db2.gz KJOIDVRYVFQWRV-UHFFFAOYSA-N 0 3 321.424 3.239 20 30 DGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000299176319 433341687 /nfs/dbraw/zinc/34/16/87/433341687.db2.gz YNOOPTOUOCTCPD-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2cnc3n2CCCC3)cc1 ZINC000375315977 433426666 /nfs/dbraw/zinc/42/66/66/433426666.db2.gz CNKXYXYDGBQZBA-HNNXBMFYSA-N 0 3 309.413 3.082 20 30 DGEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000361868620 433431626 /nfs/dbraw/zinc/43/16/26/433431626.db2.gz NKNLCYRIXGWJNV-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)O[C@H]2CCC[C@@H](C)C2)CC1 ZINC000361772279 433383036 /nfs/dbraw/zinc/38/30/36/433383036.db2.gz NTVIYRAPDZIONB-NJAFHUGGSA-N 0 3 322.493 3.127 20 30 DGEDHN COc1ccccc1OCCNC1(c2cccc(C#N)c2)CC1 ZINC000341970955 433387951 /nfs/dbraw/zinc/38/79/51/433387951.db2.gz NOTMAOKFLXQUPM-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN N#Cc1ccc(NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000301058867 433396521 /nfs/dbraw/zinc/39/65/21/433396521.db2.gz APAOGIFXNUIWEJ-UHFFFAOYSA-N 0 3 320.440 3.182 20 30 DGEDHN COCC[C@@H](c1ccccc1)N1CCC(C#N)(COC)CC1 ZINC000341982245 433398354 /nfs/dbraw/zinc/39/83/54/433398354.db2.gz DKCJRTMKESUMER-KRWDZBQOSA-N 0 3 302.418 3.016 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000454411511 433416473 /nfs/dbraw/zinc/41/64/73/433416473.db2.gz HZQCNJUGNXMNIA-OAHLLOKOSA-N 0 3 321.490 3.226 20 30 DGEDHN Cc1ccc2c(c1)CCN(CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000361849033 433420744 /nfs/dbraw/zinc/42/07/44/433420744.db2.gz CWXOHIHMYHZLSO-UHFFFAOYSA-N 0 3 319.408 3.254 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000281946690 433435864 /nfs/dbraw/zinc/43/58/64/433435864.db2.gz JIDZAELRSHIXRW-DLBZAZTESA-N 0 3 302.393 3.043 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C2CCCC2)CC1 ZINC000454462788 433438052 /nfs/dbraw/zinc/43/80/52/433438052.db2.gz KRBGFNINJSBZAZ-KRWDZBQOSA-N 0 3 307.482 3.295 20 30 DGEDHN C[C@H]1C[C@H](N(C)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000339222357 433449426 /nfs/dbraw/zinc/44/94/26/433449426.db2.gz YKIACBGGBMRPPA-QFBILLFUSA-N 0 3 320.440 3.443 20 30 DGEDHN C=C(CC)CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000454524453 433465305 /nfs/dbraw/zinc/46/53/05/433465305.db2.gz SERPXYRPVLXSNO-MRXNPFEDSA-N 0 3 315.461 3.477 20 30 DGEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1snc(Cl)c1C#N ZINC000301235902 433463247 /nfs/dbraw/zinc/46/32/47/433463247.db2.gz LWORZDOUCBQZRX-MXWKQRLJSA-N 0 3 312.870 3.446 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000454607705 433510365 /nfs/dbraw/zinc/51/03/65/433510365.db2.gz ICVKKBPQSYOMBU-FUHWJXTLSA-N 0 3 315.461 3.162 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@@H](O)CC23CCC3)c1 ZINC000421369223 433513568 /nfs/dbraw/zinc/51/35/68/433513568.db2.gz HRMZYYKVYNEMGN-QGZVFWFLSA-N 0 3 314.429 3.249 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000454613297 433515151 /nfs/dbraw/zinc/51/51/51/433515151.db2.gz XXLAGBMGDQBHNF-WMZOPIPTSA-N 0 3 315.461 3.305 20 30 DGEDHN Cc1nnc(NC[C@H]2CCCN2Cc2ccccc2)c(C#N)c1C ZINC000301282569 433487119 /nfs/dbraw/zinc/48/71/19/433487119.db2.gz KQWPTMZXXFZHSQ-QGZVFWFLSA-N 0 3 321.428 3.042 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCN(C2CCCC2)C1 ZINC000301290757 433488635 /nfs/dbraw/zinc/48/86/35/433488635.db2.gz NMJDOJJTZKZHKR-GFCCVEGCSA-N 0 3 324.350 3.401 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2snnc2C)c([O-])c1 ZINC000292169262 433489674 /nfs/dbraw/zinc/48/96/74/433489674.db2.gz XCPSXYYGYATBHK-CXUHLZMHSA-N 0 3 304.419 3.017 20 30 DGEDHN CC[C@@H]1CCCCN1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301301476 433499319 /nfs/dbraw/zinc/49/93/19/433499319.db2.gz XVNFTBKUXFAVOT-CQSZACIVSA-N 0 3 302.378 3.143 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@H]1CC[C@@H](C)C1 ZINC000362153868 433548812 /nfs/dbraw/zinc/54/88/12/433548812.db2.gz GKQITWGESYNNSA-PBHICJAKSA-N 0 3 302.418 3.204 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292321423 433550349 /nfs/dbraw/zinc/55/03/49/433550349.db2.gz VVMRVLCUORHLMN-KBXCAEBGSA-N 0 3 318.380 3.039 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@H]1CC[C@H](C)C1 ZINC000362153872 433551674 /nfs/dbraw/zinc/55/16/74/433551674.db2.gz GKQITWGESYNNSA-YOEHRIQHSA-N 0 3 302.418 3.204 20 30 DGEDHN COCCN(Cc1cn2ccccc2c1C#N)[C@@H]1CC[C@H](C)C1 ZINC000362171067 433561922 /nfs/dbraw/zinc/56/19/22/433561922.db2.gz VSQIMSAOFCQCNI-DOTOQJQBSA-N 0 3 311.429 3.448 20 30 DGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCC[C@H]1O ZINC000356407521 433570344 /nfs/dbraw/zinc/57/03/44/433570344.db2.gz HJUVWQAKLRWBKX-LSDHHAIUSA-N 0 3 312.335 3.312 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000448828372 433571202 /nfs/dbraw/zinc/57/12/02/433571202.db2.gz MICYABQUAHUSDQ-KRWDZBQOSA-N 0 3 300.446 3.460 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C(C)C)CC1 ZINC000426725991 433575233 /nfs/dbraw/zinc/57/52/33/433575233.db2.gz GJJVBLOEVVLGKL-YJBOKZPZSA-N 0 3 307.482 3.187 20 30 DGEDHN C=CCC[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccco1 ZINC000414324995 433543142 /nfs/dbraw/zinc/54/31/42/433543142.db2.gz JOQKDAPCFDZSCU-CQSZACIVSA-N 0 3 311.447 3.091 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292304606 433544727 /nfs/dbraw/zinc/54/47/27/433544727.db2.gz SECQKVOKLPJZME-UYAOXDASSA-N 0 3 312.457 3.291 20 30 DGEDHN CC(C)c1nccc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000161924859 292844019 /nfs/dbraw/zinc/84/40/19/292844019.db2.gz CLEYENBKMGBTIO-UHFFFAOYSA-N 0 3 323.444 3.040 20 30 DGEDHN C=CCN1CCC(Nc2cccc(C(=O)OC(C)(C)C)n2)CC1 ZINC000293176334 433642146 /nfs/dbraw/zinc/64/21/46/433642146.db2.gz VNOOEGZPHVFKNX-UHFFFAOYSA-N 0 3 317.433 3.099 20 30 DGEDHN CCc1nnc(NC[C@H](C)N2CCC[C@H](C)C2)c(C#N)c1CC ZINC000301625153 433646499 /nfs/dbraw/zinc/64/64/99/433646499.db2.gz PPWXPCRNGVUPAS-KBPBESRZSA-N 0 3 315.465 3.005 20 30 DGEDHN CCc1nnc(NC[C@@H](C)N2CCC[C@H](C)C2)c(C#N)c1CC ZINC000301625155 433646687 /nfs/dbraw/zinc/64/66/87/433646687.db2.gz PPWXPCRNGVUPAS-UONOGXRCSA-N 0 3 315.465 3.005 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3C[C@@H]4CCCC[C@@H]4C3)o2)c1 ZINC000426777684 433594639 /nfs/dbraw/zinc/59/46/39/433594639.db2.gz PKJHMJAJHRCQRB-IYBDPMFKSA-N 0 3 308.385 3.230 20 30 DGEDHN C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCC1(F)F ZINC000426785815 433596934 /nfs/dbraw/zinc/59/69/34/433596934.db2.gz RGACTFXWADMPJE-DZGCQCFKSA-N 0 3 306.356 3.263 20 30 DGEDHN C=CCC(C)(C)CNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000292984741 433603744 /nfs/dbraw/zinc/60/37/44/433603744.db2.gz NKDLTQCNLXYPDK-UHFFFAOYSA-N 0 3 319.371 3.362 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2scnc2C(C)C)CC1 ZINC000448920463 433612986 /nfs/dbraw/zinc/61/29/86/433612986.db2.gz HGSVUXKICQMROV-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc3c2CCCC3)CC1 ZINC000448924341 433614222 /nfs/dbraw/zinc/61/42/22/433614222.db2.gz YLHAEFLTZUZPPZ-UHFFFAOYSA-N 0 3 312.457 3.336 20 30 DGEDHN CC(C)(C#N)CCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000282548413 433616301 /nfs/dbraw/zinc/61/63/01/433616301.db2.gz ROTHOOJUWQJNND-QGZVFWFLSA-N 0 3 309.413 3.119 20 30 DGEDHN CCc1nnc(NCCN2CCCC[C@@H]2CC)c(C#N)c1CC ZINC000301640814 433654995 /nfs/dbraw/zinc/65/49/95/433654995.db2.gz YPBSRBFEPZLNHB-AWEZNQCLSA-N 0 3 315.465 3.149 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)CCN1CCCC1 ZINC000362389113 433681790 /nfs/dbraw/zinc/68/17/90/433681790.db2.gz MBIKNXZPHPTNMO-UHFFFAOYSA-N 0 3 304.459 3.133 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000362391499 433688872 /nfs/dbraw/zinc/68/88/72/433688872.db2.gz XCSKUYGBHOJDDF-UONOGXRCSA-N 0 3 316.470 3.320 20 30 DGEDHN N#CC1(c2ccccn2)CCN(CCCCCn2cccn2)CC1 ZINC000376738326 433806752 /nfs/dbraw/zinc/80/67/52/433806752.db2.gz SXMNZHZBADPQSI-UHFFFAOYSA-N 0 3 323.444 3.006 20 30 DGEDHN C[C@H](NCC#CCN[C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000283969460 433808322 /nfs/dbraw/zinc/80/83/22/433808322.db2.gz FGOMNUVYTQYXFT-HOTGVXAUSA-N 0 3 324.424 3.103 20 30 DGEDHN Cc1c(Cl)cnc(NC[C@H](C)N2CCCC[C@H]2C)c1C#N ZINC000343508026 433809448 /nfs/dbraw/zinc/80/94/48/433809448.db2.gz IETKKEKVGQKBLN-NEPJUHHUSA-N 0 3 306.841 3.590 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000284015121 433817449 /nfs/dbraw/zinc/81/74/49/433817449.db2.gz KLMAQLVIJJGNRL-QGZVFWFLSA-N 0 3 307.397 3.308 20 30 DGEDHN C=C(C)CN1CCC(Nc2ccc(OC(F)(F)F)cn2)CC1 ZINC000302530688 433822985 /nfs/dbraw/zinc/82/29/85/433822985.db2.gz CRVBOQUGVMVJBB-UHFFFAOYSA-N 0 3 315.339 3.433 20 30 DGEDHN COCC1(NCc2ccc(OC)c(OCCCC#N)c2)CCC1 ZINC000284127643 433841251 /nfs/dbraw/zinc/84/12/51/433841251.db2.gz UGQBZMDUNACQGO-UHFFFAOYSA-N 0 3 318.417 3.036 20 30 DGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000433344347 433849204 /nfs/dbraw/zinc/84/92/04/433849204.db2.gz REOTYFHIFAZPJU-AYBZRNKSSA-N 0 3 313.445 3.268 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000339902090 433849491 /nfs/dbraw/zinc/84/94/91/433849491.db2.gz ICQGFTZFMUILCL-ZDUSSCGKSA-N 0 3 311.385 3.010 20 30 DGEDHN CC(C#N)C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000344120670 433849997 /nfs/dbraw/zinc/84/99/97/433849997.db2.gz BRNFBGWSGDBEPO-JTQLQIEISA-N 0 3 307.191 3.104 20 30 DGEDHN CC(C)(NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000357214923 433912763 /nfs/dbraw/zinc/91/27/63/433912763.db2.gz PARRIXKUOYWPNF-UHFFFAOYSA-N 0 3 307.397 3.412 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000285212614 433921935 /nfs/dbraw/zinc/92/19/35/433921935.db2.gz PGRHNTJUSAJHTC-WMLDXEAASA-N 0 3 319.474 3.016 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)[C@@](C)(C#N)CC)c1ccsc1 ZINC000285274597 433922845 /nfs/dbraw/zinc/92/28/45/433922845.db2.gz UACAELUBZJUHRU-GDBMZVCRSA-N 0 3 307.463 3.187 20 30 DGEDHN CC(C)(C#N)c1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1 ZINC000457056344 433957575 /nfs/dbraw/zinc/95/75/75/433957575.db2.gz TWSJKRWMWWZZEB-UHFFFAOYSA-N 0 3 313.445 3.092 20 30 DGEDHN CC(C)[C@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000303727716 433961345 /nfs/dbraw/zinc/96/13/45/433961345.db2.gz YDKPHMJGFNSFTP-MRXNPFEDSA-N 0 3 305.466 3.182 20 30 DGEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000357356802 433967767 /nfs/dbraw/zinc/96/77/67/433967767.db2.gz QFAXEWBUENLKLD-SJKOYZFVSA-N 0 3 316.426 3.494 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CCC4(C3)CCCCC4)C2=O)cc1 ZINC000303893919 433969877 /nfs/dbraw/zinc/96/98/77/433969877.db2.gz KNRJYLIBGTYFKO-GOSISDBHSA-N 0 3 323.440 3.320 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000363101755 433971802 /nfs/dbraw/zinc/97/18/02/433971802.db2.gz CJWJTMULIKPLER-MRXNPFEDSA-N 0 3 311.454 3.326 20 30 DGEDHN C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000285624164 434017222 /nfs/dbraw/zinc/01/72/22/434017222.db2.gz JYYWFDBMXJINJZ-RGYTYGDFSA-N 0 3 317.408 3.041 20 30 DGEDHN CC1(C)C[C@@H](CNC(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000457194357 434047597 /nfs/dbraw/zinc/04/75/97/434047597.db2.gz XHQHFNPTZMTGJL-IRXDYDNUSA-N 0 3 314.429 3.080 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294488048 434116844 /nfs/dbraw/zinc/11/68/44/434116844.db2.gz QQRRIXXQKZEPMW-WBVHZDCISA-N 0 3 319.474 3.067 20 30 DGEDHN N#CC(C(=O)NC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000416398038 434121214 /nfs/dbraw/zinc/12/12/14/434121214.db2.gz LZCGIWFOHNEGIB-LBPRGKRZSA-N 0 3 311.307 3.156 20 30 DGEDHN Cn1cccc1[C@@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000281886467 294387850 /nfs/dbraw/zinc/38/78/50/294387850.db2.gz DNFODUJDSOBKMB-KRWDZBQOSA-N 0 3 301.434 3.263 20 30 DGEDHN COc1ccc([C@@H](CN2CCCC2)Nc2ccnc(C#N)c2)cc1 ZINC000286073074 434153204 /nfs/dbraw/zinc/15/32/04/434153204.db2.gz BDODIXDLNTWHOI-LJQANCHMSA-N 0 3 322.412 3.211 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000363830556 434159707 /nfs/dbraw/zinc/15/97/07/434159707.db2.gz QPJGCGCLHGCYAX-KRWDZBQOSA-N 0 3 310.401 3.259 20 30 DGEDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(OC)c(C#N)c1 ZINC000295077105 434182160 /nfs/dbraw/zinc/18/21/60/434182160.db2.gz HVEFTVBGPUPKOL-ZDUSSCGKSA-N 0 3 316.323 3.014 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCCC[C@@H]1C[C@H](C)O ZINC000286202884 434194743 /nfs/dbraw/zinc/19/47/43/434194743.db2.gz XZFDVJBJGWEPFA-WMLDXEAASA-N 0 3 302.418 3.082 20 30 DGEDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000286283036 434217603 /nfs/dbraw/zinc/21/76/03/434217603.db2.gz UQQXOGKSWGGSTE-APHBMKBZSA-N 0 3 317.458 3.149 20 30 DGEDHN Cc1c(C#N)c(N2CC[C@]3(C2)CCCN(C)C3)nc2ccccc12 ZINC000450543945 434254982 /nfs/dbraw/zinc/25/49/82/434254982.db2.gz LOQTVNURGBTDDD-HXUWFJFHSA-N 0 3 320.440 3.337 20 30 DGEDHN Cn1cc(CNCc2ccc(-c3ccncc3)cc2)cc1C#N ZINC000364331894 434265796 /nfs/dbraw/zinc/26/57/96/434265796.db2.gz MSQXGLHRTDZTIX-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000286442136 434268993 /nfs/dbraw/zinc/26/89/93/434268993.db2.gz OFSCFJHPTGFMME-WCQYABFASA-N 0 3 324.350 3.035 20 30 DGEDHN Cc1ccc(C#N)c(N2CCN(Cc3ccccc3)C[C@H](C)C2)n1 ZINC000324184806 434273442 /nfs/dbraw/zinc/27/34/42/434273442.db2.gz SWBYUUZEKXCIFM-INIZCTEOSA-N 0 3 320.440 3.220 20 30 DGEDHN C=CCN1CC[C@@H](N(C)c2ccnc3ccc(CC)cc32)C1=O ZINC000450499397 434229062 /nfs/dbraw/zinc/22/90/62/434229062.db2.gz KKRBMDFBFKOEBB-GOSISDBHSA-N 0 3 309.413 3.020 20 30 DGEDHN Cc1nc(N2CCCN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000383086165 434281895 /nfs/dbraw/zinc/28/18/95/434281895.db2.gz KYLUKEBMPQTERX-INIZCTEOSA-N 0 3 320.440 3.363 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000383340814 434284332 /nfs/dbraw/zinc/28/43/32/434284332.db2.gz RVIHGKFBQIPKNT-JTQLQIEISA-N 0 3 302.187 3.441 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348265487 434289279 /nfs/dbraw/zinc/28/92/79/434289279.db2.gz DYUMVRLOGFTNRY-VKJFTORMSA-N 0 3 309.413 3.278 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)cc1OC ZINC000295286533 434293292 /nfs/dbraw/zinc/29/32/92/434293292.db2.gz TZPPMSQSIODXPA-MRXNPFEDSA-N 0 3 319.445 3.243 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC(N2CCCCC2=O)CC1 ZINC000365435988 434297621 /nfs/dbraw/zinc/29/76/21/434297621.db2.gz YPECDMVYJUOJNY-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN C=CCCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000365824403 434310897 /nfs/dbraw/zinc/31/08/97/434310897.db2.gz KYRVNLUGOSVQOW-UHFFFAOYSA-N 0 3 300.446 3.386 20 30 DGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ncoc2C2CC2)C1 ZINC000328832479 434316555 /nfs/dbraw/zinc/31/65/55/434316555.db2.gz LHOYANBKETYVKL-LBPRGKRZSA-N 0 3 305.422 3.367 20 30 DGEDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000328859133 434319950 /nfs/dbraw/zinc/31/99/50/434319950.db2.gz ACBVQAWYBSAZLS-CJNGLKHVSA-N 0 3 323.343 3.040 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c(F)c1 ZINC000328906625 434323906 /nfs/dbraw/zinc/32/39/06/434323906.db2.gz KXKYEYPHCMJOEJ-PBHICJAKSA-N 0 3 319.380 3.209 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2SC)CC1 ZINC000417211481 434325856 /nfs/dbraw/zinc/32/58/56/434325856.db2.gz AHQYKTXNVKRBDZ-UHFFFAOYSA-N 0 3 319.474 3.489 20 30 DGEDHN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC000328899258 434326202 /nfs/dbraw/zinc/32/62/02/434326202.db2.gz YUAPVZMIQCFEMD-KSZLIROESA-N 0 3 314.429 3.008 20 30 DGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1scnc1C1CC1 ZINC000328917150 434329274 /nfs/dbraw/zinc/32/92/74/434329274.db2.gz KNMVWZIXDCVNFS-NSHDSACASA-N 0 3 308.451 3.221 20 30 DGEDHN C[C@@H]1CCSCCN1CCC(=O)Nc1sccc1C#N ZINC000329172174 434369510 /nfs/dbraw/zinc/36/95/10/434369510.db2.gz KJOBGOXGOURKTC-LLVKDONJSA-N 0 3 309.460 3.425 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc2nc[nH]c2cc1F ZINC000329213285 434373400 /nfs/dbraw/zinc/37/34/00/434373400.db2.gz JDZZORIQXMAOMW-GFCCVEGCSA-N 0 3 318.396 3.271 20 30 DGEDHN CC[C@@H](C)n1ncc(C(=O)NCC2=CCN(C)CC2)c1C1CC1 ZINC000329211758 434375831 /nfs/dbraw/zinc/37/58/31/434375831.db2.gz HHUBZTHBSPTPLM-CYBMUJFWSA-N 0 3 316.449 3.298 20 30 DGEDHN C=CC[C@H](C)[C@H](C)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287367495 434343576 /nfs/dbraw/zinc/34/35/76/434343576.db2.gz OLHCUMMSSBKFLB-HRCADAONSA-N 0 3 304.434 3.187 20 30 DGEDHN Cc1nc(CCNC(=O)[C@@H]2CCCN2C2CCCC2)c(C)o1 ZINC000329046691 434351510 /nfs/dbraw/zinc/35/15/10/434351510.db2.gz VCYXGACKIPQULF-INIZCTEOSA-N 0 3 305.422 3.197 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000295903269 434444858 /nfs/dbraw/zinc/44/48/58/434444858.db2.gz ZHGLYFLPAXKJKB-VQTJNVASSA-N 0 3 324.468 3.032 20 30 DGEDHN Cc1nccn1CCNC([O-])=[NH+][C@@H]1CCCCC12CCCC2 ZINC000329609495 434444768 /nfs/dbraw/zinc/44/47/68/434444768.db2.gz IZGWKSVFCXZQIL-OAHLLOKOSA-N 0 3 304.438 3.198 20 30 DGEDHN N#Cc1cccc(CN2CCN(C3CCCCC3)CC2)c1F ZINC000340877457 434405690 /nfs/dbraw/zinc/40/56/90/434405690.db2.gz BMWWEZLWZBDPBS-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287619193 434412729 /nfs/dbraw/zinc/41/27/29/434412729.db2.gz JSYOMGZENRDTLP-UKRRQHHQSA-N 0 3 315.335 3.451 20 30 DGEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000359478083 434417997 /nfs/dbraw/zinc/41/79/97/434417997.db2.gz XJSZZYBRVRBBDS-XJKSGUPXSA-N 0 3 310.401 3.440 20 30 DGEDHN CC[C@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431361 434418491 /nfs/dbraw/zinc/41/84/91/434418491.db2.gz QLUGGBXFLDCUTO-VQTJNVASSA-N 0 3 305.425 3.486 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NCc2cc(C#N)n(C)c2)cc1 ZINC000359745100 434427369 /nfs/dbraw/zinc/42/73/69/434427369.db2.gz KCVRBOFXFISTSM-OALUTQOASA-N 0 3 309.413 3.215 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1nccn1CC)C(C)C ZINC000295989234 434465317 /nfs/dbraw/zinc/46/53/17/434465317.db2.gz NPSXFGSEKWUPEJ-DLBZAZTESA-N 0 3 304.482 3.252 20 30 DGEDHN Cc1ccoc1CNC1CCC(Oc2ncccc2C#N)CC1 ZINC000438468003 434485308 /nfs/dbraw/zinc/48/53/08/434485308.db2.gz VIOOBNUUUAXZLD-UHFFFAOYSA-N 0 3 311.385 3.335 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1cncc(C#N)n1 ZINC000401341770 434493434 /nfs/dbraw/zinc/49/34/34/434493434.db2.gz VLUXKLFUSGDAJA-QGZVFWFLSA-N 0 3 321.428 3.061 20 30 DGEDHN CN(CCCN(C)Cc1cc(C#N)cs1)Cc1ccco1 ZINC000348814820 434505799 /nfs/dbraw/zinc/50/57/99/434505799.db2.gz IINZWFXSNINIPR-UHFFFAOYSA-N 0 3 303.431 3.167 20 30 DGEDHN Cc1nc(N(CCN(C)C)C2CCCC2)c(Cl)cc1C#N ZINC000360067802 434502854 /nfs/dbraw/zinc/50/28/54/434502854.db2.gz YJVSYARJIDUBIE-UHFFFAOYSA-N 0 3 306.841 3.226 20 30 DGEDHN C[C@H]1C[C@@H](Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000287793815 434451250 /nfs/dbraw/zinc/45/12/50/434451250.db2.gz JHSDOWNHPURZNY-YJBOKZPZSA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)c1cccc(C#N)c1 ZINC000359851194 434451354 /nfs/dbraw/zinc/45/13/54/434451354.db2.gz WOXGSNZJSCRDRO-KXBFYZLASA-N 0 3 321.424 3.081 20 30 DGEDHN N#CCC[C@@H](NC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1 ZINC000417925267 434551188 /nfs/dbraw/zinc/55/11/88/434551188.db2.gz YBWJQZXMTUAWNU-QZTJIDSGSA-N 0 3 322.412 3.031 20 30 DGEDHN C=CCC[C@@H](N[C@@H]1CCCc2cn(CCOC)nc21)C1CC1 ZINC000368189599 434568224 /nfs/dbraw/zinc/56/82/24/434568224.db2.gz RBQATAAJIKQAJZ-IAGOWNOFSA-N 0 3 303.450 3.241 20 30 DGEDHN C=CCc1cc(CNC[C@@H](CC(C)C)OC)cc(OC)c1O ZINC000418093217 434586788 /nfs/dbraw/zinc/58/67/88/434586788.db2.gz GPUGODSFQOYHMN-MRXNPFEDSA-N 0 3 307.434 3.280 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccccn2)CC1 ZINC000369592208 434596585 /nfs/dbraw/zinc/59/65/85/434596585.db2.gz PSDPNVISHNLTPY-UHFFFAOYSA-N 0 3 303.450 3.200 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439334933 434594687 /nfs/dbraw/zinc/59/46/87/434594687.db2.gz XLZRIUASAOPZHF-IEBWSBKVSA-N 0 3 312.457 3.455 20 30 DGEDHN Cc1ccc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)cc1 ZINC000424074014 434615564 /nfs/dbraw/zinc/61/55/64/434615564.db2.gz GLGZSJUDDSFNFM-ZDUSSCGKSA-N 0 3 314.414 3.078 20 30 DGEDHN C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424090440 434620131 /nfs/dbraw/zinc/62/01/31/434620131.db2.gz KLFVUNLMPMYJJW-LRDDRELGSA-N 0 3 319.836 3.413 20 30 DGEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000424108212 434625074 /nfs/dbraw/zinc/62/50/74/434625074.db2.gz WCOIALKOKPUNAC-ZFWWWQNUSA-N 0 3 313.401 3.363 20 30 DGEDHN Cc1ccccc1[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000424127266 434629843 /nfs/dbraw/zinc/62/98/43/434629843.db2.gz QGICPDQZJUGIEP-HOTGVXAUSA-N 0 3 301.434 3.220 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418344855 434631755 /nfs/dbraw/zinc/63/17/55/434631755.db2.gz GNLGAHSBRMFJOL-QGZVFWFLSA-N 0 3 303.450 3.417 20 30 DGEDHN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424139466 434632561 /nfs/dbraw/zinc/63/25/61/434632561.db2.gz AMYBZGGPTIGGKG-MRXNPFEDSA-N 0 3 308.385 3.017 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc2ccccc2s1 ZINC000424142570 434634153 /nfs/dbraw/zinc/63/41/53/434634153.db2.gz PWIHVWJNVWOKKC-YPMHNXCESA-N 0 3 301.415 3.100 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000410396790 434643414 /nfs/dbraw/zinc/64/34/14/434643414.db2.gz WKXNZDMWKJFQJW-OTWHNJEPSA-N 0 3 312.457 3.350 20 30 DGEDHN COc1ccc(CN2CCSC[C@@H]2C2CCC2)cc1C#N ZINC000418129423 434597956 /nfs/dbraw/zinc/59/79/56/434597956.db2.gz SBGKIBQDQBEICK-MRXNPFEDSA-N 0 3 302.443 3.284 20 30 DGEDHN COc1ccc(CN2CCSC[C@H]2C2CCC2)cc1C#N ZINC000418129421 434598486 /nfs/dbraw/zinc/59/84/86/434598486.db2.gz SBGKIBQDQBEICK-INIZCTEOSA-N 0 3 302.443 3.284 20 30 DGEDHN CN(C)c1ccncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418138293 434601558 /nfs/dbraw/zinc/60/15/58/434601558.db2.gz CKSXSWAYFDBFEA-SFHVURJKSA-N 0 3 306.413 3.186 20 30 DGEDHN Cc1nc([C@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)n[nH]1 ZINC000439447654 434601624 /nfs/dbraw/zinc/60/16/24/434601624.db2.gz FGXKWZNUCGGFJK-AWEZNQCLSA-N 0 3 315.808 3.018 20 30 DGEDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000439447654 434601630 /nfs/dbraw/zinc/60/16/30/434601630.db2.gz FGXKWZNUCGGFJK-AWEZNQCLSA-N 0 3 315.808 3.018 20 30 DGEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)[nH]1 ZINC000439447654 434601635 /nfs/dbraw/zinc/60/16/35/434601635.db2.gz FGXKWZNUCGGFJK-AWEZNQCLSA-N 0 3 315.808 3.018 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](CCC)NC(C)C ZINC000354072415 434603480 /nfs/dbraw/zinc/60/34/80/434603480.db2.gz QQNGHWUNTYTTLA-MRXNPFEDSA-N 0 3 316.449 3.485 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(F)cc2)C(C)(C)C)C1=O ZINC000410425901 434646326 /nfs/dbraw/zinc/64/63/26/434646326.db2.gz LVIWPAGBRCUWOV-JKSUJKDBSA-N 0 3 304.409 3.289 20 30 DGEDHN CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424184468 434651209 /nfs/dbraw/zinc/65/12/09/434651209.db2.gz MHWVFZRVPFPWBH-SJORKVTESA-N 0 3 313.445 3.228 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)C1 ZINC000459659524 434651297 /nfs/dbraw/zinc/65/12/97/434651297.db2.gz KLHAQNVKOPCXQO-RDBSUJKOSA-N 0 3 316.367 3.360 20 30 DGEDHN Cc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)nc1C ZINC000459671886 434656953 /nfs/dbraw/zinc/65/69/53/434656953.db2.gz QBKHGVJNAWWFNA-UHFFFAOYSA-N 0 3 320.440 3.329 20 30 DGEDHN COc1ccc(Br)cc1CNCC(C)(C)CC#N ZINC000459693592 434668162 /nfs/dbraw/zinc/66/81/62/434668162.db2.gz NNZVQQMPCFRBSX-UHFFFAOYSA-N 0 3 311.223 3.487 20 30 DGEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC#N)[C@@H]2CCCC[C@@H]12 ZINC000439985797 434670029 /nfs/dbraw/zinc/67/00/29/434670029.db2.gz VSUCFCHGAWZXMD-SMLCLMEVSA-N 0 3 305.466 3.084 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000424292776 434680168 /nfs/dbraw/zinc/68/01/68/434680168.db2.gz HHIMMDZUOGYUCG-UTLUCORTSA-N 0 3 306.353 3.404 20 30 DGEDHN Cn1cc(CNCC(C)(C)CC#N)c(-c2ccc(F)cc2)n1 ZINC000459735666 434684947 /nfs/dbraw/zinc/68/49/47/434684947.db2.gz UAVXJOMCISRKTN-UHFFFAOYSA-N 0 3 300.381 3.256 20 30 DGEDHN COc1cc(CNC[C@@H](OC)c2ccc(F)cc2)ccc1C#N ZINC000440817257 434746126 /nfs/dbraw/zinc/74/61/26/434746126.db2.gz GBGXFWHUBWGKIY-GOSISDBHSA-N 0 3 314.360 3.183 20 30 DGEDHN COc1cc(CNCCOc2cccc(Cl)c2)ccc1C#N ZINC000440811234 434747142 /nfs/dbraw/zinc/74/71/42/434747142.db2.gz XNZQRAACOSQEKI-UHFFFAOYSA-N 0 3 316.788 3.389 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000424588138 434751813 /nfs/dbraw/zinc/75/18/13/434751813.db2.gz VKCQKOUSZBJDQK-UHFFFAOYSA-N 0 3 310.507 3.067 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c(=O)n1C ZINC000360884616 434718164 /nfs/dbraw/zinc/71/81/64/434718164.db2.gz POBGLRWFFXOCMI-LJQANCHMSA-N 0 3 321.424 3.123 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000452798904 434719409 /nfs/dbraw/zinc/71/94/09/434719409.db2.gz XNTQBUUNSURPFB-QAPCUYQASA-N 0 3 320.392 3.268 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(CC#N)cc1)C(=O)OC(C)(C)C ZINC000459826558 434729902 /nfs/dbraw/zinc/72/99/02/434729902.db2.gz MHICRJFACKDRGP-CQSZACIVSA-N 0 3 302.418 3.162 20 30 DGEDHN Cc1cc(CNCCc2nnc(-c3ccccc3)o2)ccc1C#N ZINC000440799633 434744185 /nfs/dbraw/zinc/74/41/85/434744185.db2.gz CGGOCKFRVATMQC-UHFFFAOYSA-N 0 3 318.380 3.249 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000371883871 434766356 /nfs/dbraw/zinc/76/63/56/434766356.db2.gz LBMMMCTXGUYASH-GOSISDBHSA-N 0 3 300.446 3.371 20 30 DGEDHN N#Cc1cccc(NC(=O)CCNC2(c3ccc(F)cc3)CC2)c1 ZINC000411361637 434768311 /nfs/dbraw/zinc/76/83/11/434768311.db2.gz AMEGUJRNMBIJBS-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419326679 434773520 /nfs/dbraw/zinc/77/35/20/434773520.db2.gz MLFIXSRQJKKJLR-RKVPGOIHSA-N 0 3 307.482 3.187 20 30 DGEDHN CC(C)N(CCC(=O)Nc1ccccc1C#N)Cc1cccnc1 ZINC000411409450 434775444 /nfs/dbraw/zinc/77/54/44/434775444.db2.gz QDQKLSONPBYYKG-UHFFFAOYSA-N 0 3 322.412 3.192 20 30 DGEDHN CC1=CCC[C@@H](C)[C@@H]1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000443405713 434778518 /nfs/dbraw/zinc/77/85/18/434778518.db2.gz KQWXUDSSJRIQDN-SJLPKXTDSA-N 0 3 310.445 3.068 20 30 DGEDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000411430884 434779512 /nfs/dbraw/zinc/77/95/12/434779512.db2.gz SCAPYAPKRFULNS-SFHVURJKSA-N 0 3 322.412 3.365 20 30 DGEDHN N#Cc1cccc(NC(=O)CCNC2(c3cccc(F)c3)CC2)c1 ZINC000411474159 434787054 /nfs/dbraw/zinc/78/70/54/434787054.db2.gz QDPNKKCPJZOCSM-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN C=CC[C@H]1N(CCCS(=O)(=O)C(C)C)CCCC1(C)C ZINC000444785269 434790012 /nfs/dbraw/zinc/79/00/12/434790012.db2.gz PYXKOJKUCBMSIN-OAHLLOKOSA-N 0 3 301.496 3.266 20 30 DGEDHN C=CC[C@@H]1N(CCCS(=O)(=O)C(C)C)CCCC1(C)C ZINC000444785266 434791205 /nfs/dbraw/zinc/79/12/05/434791205.db2.gz PYXKOJKUCBMSIN-HNNXBMFYSA-N 0 3 301.496 3.266 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419452480 434794016 /nfs/dbraw/zinc/79/40/16/434794016.db2.gz HAUJVKNOIZXLRZ-SJORKVTESA-N 0 3 321.509 3.493 20 30 DGEDHN CCc1cnccc1[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000361134473 434807719 /nfs/dbraw/zinc/80/77/19/434807719.db2.gz GDDWRAQNHWUVHF-AWEZNQCLSA-N 0 3 322.412 3.195 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nnc(-c2ccccc2)s1 ZINC000411635307 434810294 /nfs/dbraw/zinc/81/02/94/434810294.db2.gz BNONYMBIZUMIOM-UHFFFAOYSA-N 0 3 316.474 3.145 20 30 DGEDHN CN(CCCNC(=O)C1CCC1)CCC1(C#N)CCCCC1 ZINC000411633798 434810629 /nfs/dbraw/zinc/81/06/29/434810629.db2.gz KCNPPAWHXZCYJK-UHFFFAOYSA-N 0 3 305.466 3.089 20 30 DGEDHN N#CC1(CCN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCCCC1 ZINC000411641099 434813664 /nfs/dbraw/zinc/81/36/64/434813664.db2.gz WTDWCDKWWDDJJN-KGLIPLIRSA-N 0 3 318.383 3.486 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)[C@@H](CC(N)=O)c1ccccc1 ZINC000411666140 434815920 /nfs/dbraw/zinc/81/59/20/434815920.db2.gz LRGKECVAUQQTRX-KRWDZBQOSA-N 0 3 313.445 3.399 20 30 DGEDHN CC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2)c2ccccc21 ZINC000372298537 434820731 /nfs/dbraw/zinc/82/07/31/434820731.db2.gz PFCJQKODDIUQPO-GOSISDBHSA-N 0 3 305.381 3.146 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000445682617 434821040 /nfs/dbraw/zinc/82/10/40/434821040.db2.gz OQSCHRMAIOUWCX-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN CC[C@H](COCC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 ZINC000453251876 434840096 /nfs/dbraw/zinc/84/00/96/434840096.db2.gz FSINUFQGLWXKGG-HIFRSBDPSA-N 0 3 312.335 3.493 20 30 DGEDHN Cc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000411875279 434840627 /nfs/dbraw/zinc/84/06/27/434840627.db2.gz PAWVOJPYBQFQFI-HNAYVOBHSA-N 0 3 319.408 3.323 20 30 DGEDHN C=CCC[C@@H](O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995578 434852608 /nfs/dbraw/zinc/85/26/08/434852608.db2.gz DNTHXJPWLHNUBY-MSOLQXFVSA-N 0 3 301.430 3.167 20 30 DGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1occc1C ZINC000412027667 434856014 /nfs/dbraw/zinc/85/60/14/434856014.db2.gz QHYYFKONECOKLW-UHFFFAOYSA-N 0 3 311.385 3.310 20 30 DGEDHN N#CCCCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000372852547 434858741 /nfs/dbraw/zinc/85/87/41/434858741.db2.gz SWCVRDURXKEFKH-VQIMIIECSA-N 0 3 322.412 3.394 20 30 DGEDHN C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000553230968 434883213 /nfs/dbraw/zinc/88/32/13/434883213.db2.gz LCWWMNXUPHNCCJ-SJCJKPOMSA-N 0 3 314.820 3.710 20 30 DGEDHN C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000553230969 434884073 /nfs/dbraw/zinc/88/40/73/434884073.db2.gz LCWWMNXUPHNCCJ-SJKOYZFVSA-N 0 3 314.820 3.710 20 30 DGEDHN N#CCC[C@H](C#N)CN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000573318127 434889336 /nfs/dbraw/zinc/88/93/36/434889336.db2.gz GSLJRBWFHMWDDS-XOKHGSTOSA-N 0 3 301.365 3.079 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)Cc2ccccc2)CC1 ZINC000522130311 434912883 /nfs/dbraw/zinc/91/28/83/434912883.db2.gz ANQRHAVHCVBCAY-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C#C[C@H](NCc1ccc(OCc2noc(C)n2)cc1)C(C)(C)C ZINC000491820209 434866848 /nfs/dbraw/zinc/86/68/48/434866848.db2.gz QKHQMXSYTDARJG-INIZCTEOSA-N 0 3 313.401 3.095 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000555315314 434969201 /nfs/dbraw/zinc/96/92/01/434969201.db2.gz CABFESKRABRMSZ-FQEVSTJZSA-N 0 3 313.416 3.460 20 30 DGEDHN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000554533722 434932836 /nfs/dbraw/zinc/93/28/36/434932836.db2.gz VCMIFOUXUVKURY-QGZVFWFLSA-N 0 3 315.461 3.012 20 30 DGEDHN C[C@@H](N[C@H]1CCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554522871 434933220 /nfs/dbraw/zinc/93/32/20/434933220.db2.gz CZOAHOVKNJMUQG-YGRLFVJLSA-N 0 3 305.809 3.317 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000528447993 435024519 /nfs/dbraw/zinc/02/45/19/435024519.db2.gz JKECGXLFIJBASG-MSOLQXFVSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCCCCCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555591415 434978595 /nfs/dbraw/zinc/97/85/95/434978595.db2.gz LNHFICDXUNEUJT-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCNC(=O)CN(CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464777836 435000617 /nfs/dbraw/zinc/00/06/17/435000617.db2.gz RQOJRCNQEYNJKH-KRWDZBQOSA-N 0 3 306.425 3.017 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1cnc2ccccc2n1 ZINC000574857682 435003604 /nfs/dbraw/zinc/00/36/04/435003604.db2.gz ZVAVZUGJLHDNAL-AWEZNQCLSA-N 0 3 315.332 3.055 20 30 DGEDHN CCC(CC)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000527377216 435012244 /nfs/dbraw/zinc/01/22/44/435012244.db2.gz NFNJSAXDAFBKQS-SFHVURJKSA-N 0 3 313.445 3.316 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C3CCCC3)C2)cc1 ZINC000577738523 435061662 /nfs/dbraw/zinc/06/16/62/435061662.db2.gz YJAGAGPXOLKXSP-RBUKOAKNSA-N 0 3 321.424 3.279 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000576350836 435056244 /nfs/dbraw/zinc/05/62/44/435056244.db2.gz OSYSOWZXFXWGNN-OXJNMPFZSA-N 0 3 320.436 3.350 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000492829433 435056901 /nfs/dbraw/zinc/05/69/01/435056901.db2.gz NMKJXBXWIHTYDJ-ZHACJKMWSA-N 0 3 305.381 3.272 20 30 DGEDHN Cc1cccc(NC(=O)C[C@H](C)NCc2cccc(C#N)c2)c1 ZINC000532196424 435146506 /nfs/dbraw/zinc/14/65/06/435146506.db2.gz NHYSNWXWIQZOIE-HNNXBMFYSA-N 0 3 307.397 3.374 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000466982802 435103605 /nfs/dbraw/zinc/10/36/05/435103605.db2.gz MXDGZKQZNDPQOT-NVXWUHKLSA-N 0 3 301.434 3.039 20 30 DGEDHN C=CCCN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000467010483 435105328 /nfs/dbraw/zinc/10/53/28/435105328.db2.gz IFAJADQGOAYDDN-MRXNPFEDSA-N 0 3 315.461 3.430 20 30 DGEDHN CC#CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467296845 435116278 /nfs/dbraw/zinc/11/62/78/435116278.db2.gz AYAZUWHEUGXSLF-UHFFFAOYSA-N 0 3 322.246 3.453 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Oc1ccc(F)cc1 ZINC000532987186 435202083 /nfs/dbraw/zinc/20/20/83/435202083.db2.gz XACSWAGHNWLGDB-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN C[C@@H]1C[C@@H](C)N(CCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495896077 435205092 /nfs/dbraw/zinc/20/50/92/435205092.db2.gz IUKFVPMYKQKSOI-KFWWJZLASA-N 0 3 309.454 3.161 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000560172676 435150912 /nfs/dbraw/zinc/15/09/12/435150912.db2.gz BWCBVJINUOYDOE-UWJYYQICSA-N 0 3 319.452 3.478 20 30 DGEDHN C[C@@H](C#N)CN(C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000496516038 435219312 /nfs/dbraw/zinc/21/93/12/435219312.db2.gz BRIGGPKJIFMYJC-JYJNAYRXSA-N 0 3 323.481 3.409 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000496516868 435219590 /nfs/dbraw/zinc/21/95/90/435219590.db2.gz ZKFCSASGKDUDAC-NEPJUHHUSA-N 0 3 323.462 3.401 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000496516877 435220276 /nfs/dbraw/zinc/22/02/76/435220276.db2.gz ZKFCSASGKDUDAC-VXGBXAGGSA-N 0 3 323.462 3.401 20 30 DGEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C#N)ccc1Cl ZINC000561532040 435222600 /nfs/dbraw/zinc/22/26/00/435222600.db2.gz DWBSOOBCLDMUIM-AWEZNQCLSA-N 0 3 319.836 3.158 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(F)cc1)C(C)C ZINC000496014192 435208811 /nfs/dbraw/zinc/20/88/11/435208811.db2.gz MJVSGPKUNDFSJH-SFHVURJKSA-N 0 3 318.436 3.183 20 30 DGEDHN COc1ccc(CN(C)CCOc2ccccc2C)cc1C#N ZINC000533079582 435209639 /nfs/dbraw/zinc/20/96/39/435209639.db2.gz ZCQZQMYTIMAHRJ-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)CCOc1ccc(C#N)cc1 ZINC000475740775 435209772 /nfs/dbraw/zinc/20/97/72/435209772.db2.gz SQMMIZRLRPIVCA-IBGZPJMESA-N 0 3 324.424 3.127 20 30 DGEDHN C[C@@H]1CC[C@H](NCC2(CC#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496105334 435209830 /nfs/dbraw/zinc/20/98/30/435209830.db2.gz KXJXNURBVIJQFU-KGLIPLIRSA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000496261493 435210502 /nfs/dbraw/zinc/21/05/02/435210502.db2.gz GCESBZKLACBEAM-ZNMIVQPWSA-N 0 3 307.438 3.152 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000496427668 435212900 /nfs/dbraw/zinc/21/29/00/435212900.db2.gz BAUZTUHJZDAJFA-QLFBSQMISA-N 0 3 307.438 3.010 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccccn1 ZINC000533484173 435241725 /nfs/dbraw/zinc/24/17/25/435241725.db2.gz ACBQBQUYSCXOHY-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN CC[C@@H](CC#N)NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496746594 435248719 /nfs/dbraw/zinc/24/87/19/435248719.db2.gz WCOOXSBGTGOWTN-HNNXBMFYSA-N 0 3 309.454 3.305 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCSC1 ZINC000583907794 435254680 /nfs/dbraw/zinc/25/46/80/435254680.db2.gz YMFKTPUARNHIRN-JKSUJKDBSA-N 0 3 302.443 3.018 20 30 DGEDHN C[C@H](CCC#N)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496069048 298364193 /nfs/dbraw/zinc/36/41/93/298364193.db2.gz RZVRNRDPVGAGOE-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497030515 298364595 /nfs/dbraw/zinc/36/45/95/298364595.db2.gz BBOGICVGBSAEMF-CRAIPNDOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000563641406 435269880 /nfs/dbraw/zinc/26/98/80/435269880.db2.gz IABQLOKNBLXTJP-RRCMXIFQSA-N 0 3 316.489 3.358 20 30 DGEDHN Cc1nc2scc(C3CC3)n2c1CNCC1(CC#N)CC1 ZINC000564054932 435270772 /nfs/dbraw/zinc/27/07/72/435270772.db2.gz JQMDWQAHEGCBQP-UHFFFAOYSA-N 0 3 300.431 3.365 20 30 DGEDHN Cc1cc(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)ccc1C#N ZINC000496975449 435277311 /nfs/dbraw/zinc/27/73/11/435277311.db2.gz RDTRLOFJTOJFQA-KBPBESRZSA-N 0 3 317.433 3.258 20 30 DGEDHN C=CCn1c(SCCN2C[C@H](C)C[C@H](C)C2)nnc1C1CC1 ZINC000584183645 435283551 /nfs/dbraw/zinc/28/35/51/435283551.db2.gz PXLCBTCFRIDGRR-OKILXGFUSA-N 0 3 320.506 3.412 20 30 DGEDHN C=C(C)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000497059010 435291469 /nfs/dbraw/zinc/29/14/69/435291469.db2.gz ZALRBNYBLJBDHV-QGZVFWFLSA-N 0 3 302.418 3.201 20 30 DGEDHN COc1ccc(CN2CC[C@H](COc3ccccc3)C2)cc1C#N ZINC000505813074 435308361 /nfs/dbraw/zinc/30/83/61/435308361.db2.gz QYZJUSKFCXUQQI-KRWDZBQOSA-N 0 3 322.408 3.468 20 30 DGEDHN C[C@@H]1CN(c2ccccc2CN2CCC(CC#N)CC2)CCO1 ZINC000562685620 435262255 /nfs/dbraw/zinc/26/22/55/435262255.db2.gz RRHDOPKMGLMQFZ-MRXNPFEDSA-N 0 3 313.445 3.037 20 30 DGEDHN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(CCC#N)CC1 ZINC000583992063 435263936 /nfs/dbraw/zinc/26/39/36/435263936.db2.gz MQWWIKNMGPGNQT-MRXNPFEDSA-N 0 3 313.445 3.049 20 30 DGEDHN C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H](c1ccccc1)N(C)C ZINC000596217843 435314227 /nfs/dbraw/zinc/31/42/27/435314227.db2.gz XSCYCYBUDFUSOO-GWCFXTLKSA-N 0 3 320.849 3.771 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H]1C)C(C)C ZINC000481016565 435407073 /nfs/dbraw/zinc/40/70/73/435407073.db2.gz BHMMZRIVBCBYTN-BRWVUGGUSA-N 0 3 307.482 3.125 20 30 DGEDHN CCC#C[C@H](C)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000639757812 435409043 /nfs/dbraw/zinc/40/90/43/435409043.db2.gz NZEONBDLZQSBNY-HNNXBMFYSA-N 0 3 308.429 3.453 20 30 DGEDHN COc1ccc2c(c1)CCN(CCOc1ccc(C#N)cc1)CC2 ZINC000536346357 435380112 /nfs/dbraw/zinc/38/01/12/435380112.db2.gz RXKNEQGCVGXULK-UHFFFAOYSA-N 0 3 322.408 3.046 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000513420642 435389675 /nfs/dbraw/zinc/38/96/75/435389675.db2.gz PQJRXYXEZCCGMY-CRAIPNDOSA-N 0 3 300.446 3.119 20 30 DGEDHN CC(C)[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000513619066 435394732 /nfs/dbraw/zinc/39/47/32/435394732.db2.gz KGOASNOCKQGJGT-FQEVSTJZSA-N 0 3 321.424 3.161 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCC[C@H](C)C1 ZINC000537586666 435451969 /nfs/dbraw/zinc/45/19/69/435451969.db2.gz LLWQQJIHERTJJU-STQMWFEESA-N 0 3 319.836 3.062 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000537270442 435436027 /nfs/dbraw/zinc/43/60/27/435436027.db2.gz CPYXGXBRHIFWNX-OAHLLOKOSA-N 0 3 321.465 3.406 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000483252404 435506018 /nfs/dbraw/zinc/50/60/18/435506018.db2.gz WLZRDSVKPOYRBT-JKSUJKDBSA-N 0 3 319.493 3.476 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000538569641 435506428 /nfs/dbraw/zinc/50/64/28/435506428.db2.gz GHNPFNUOMGQOPN-ZWKOTPCHSA-N 0 3 315.461 3.477 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2OC(F)F)[C@@H]2CCO[C@@H]21 ZINC000569315989 435523448 /nfs/dbraw/zinc/52/34/48/435523448.db2.gz CDIMMLYHAJBTRA-CFVMTHIKSA-N 0 3 322.355 3.063 20 30 DGEDHN C=CCN(CCOc1ccc(C(=O)OC)cc1Cl)C1CC1 ZINC000538953384 435530532 /nfs/dbraw/zinc/53/05/32/435530532.db2.gz DUWGBRJNDHRPLE-UHFFFAOYSA-N 0 3 309.793 3.156 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569049651 435497169 /nfs/dbraw/zinc/49/71/69/435497169.db2.gz ZOAIWEXNKURFSW-OKILXGFUSA-N 0 3 320.399 3.464 20 30 DGEDHN CCCN(Cc1ccc(C#N)cn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000569066292 435499919 /nfs/dbraw/zinc/49/99/19/435499919.db2.gz AZYNOJNSCUKTGX-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN C=CCN(CCOC)CCOc1ccc(C(F)(F)F)cc1 ZINC000484674890 435550103 /nfs/dbraw/zinc/55/01/03/435550103.db2.gz CYIRHOBBGUVBSM-UHFFFAOYSA-N 0 3 303.324 3.219 20 30 DGEDHN C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000517047957 435571775 /nfs/dbraw/zinc/57/17/75/435571775.db2.gz FGXJGPTUEDAGPW-SCLBCKFNSA-N 0 3 314.816 3.466 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2sc(C(C)C)nc2C)CC1 ZINC000517304390 435588163 /nfs/dbraw/zinc/58/81/63/435588163.db2.gz HYCWDWXPAXDAMI-UHFFFAOYSA-N 0 3 321.490 3.345 20 30 DGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000645193827 435588949 /nfs/dbraw/zinc/58/89/49/435588949.db2.gz OGVYVXHVHJEAGE-ZANVPECISA-N 0 3 302.187 3.176 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(CC)c2)CC1 ZINC000486919017 435621143 /nfs/dbraw/zinc/62/11/43/435621143.db2.gz HZTHLJXAJDCDTF-UHFFFAOYSA-N 0 3 305.397 3.160 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540886141 435622544 /nfs/dbraw/zinc/62/25/44/435622544.db2.gz MUYQTNUVUVGILN-CHWSQXEVSA-N 0 3 319.836 3.062 20 30 DGEDHN CCC1(CC)CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000517371820 435593750 /nfs/dbraw/zinc/59/37/50/435593750.db2.gz HNCTWCYDOULBAU-UHFFFAOYSA-N 0 3 311.433 3.393 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccc(C)cc2)s1 ZINC000540323672 435597650 /nfs/dbraw/zinc/59/76/50/435597650.db2.gz GMXFIMNJCIRXJW-CQSZACIVSA-N 0 3 302.443 3.393 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2C2CCC2)CC1 ZINC000645266422 435605966 /nfs/dbraw/zinc/60/59/66/435605966.db2.gz SZVUQBMPGVAQPP-KRWDZBQOSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)c(N)c1)C(C)C ZINC000645415074 435639644 /nfs/dbraw/zinc/63/96/44/435639644.db2.gz FBOXZPYEEYQIDJ-GOSISDBHSA-N 0 3 315.461 3.006 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000519271092 435678442 /nfs/dbraw/zinc/67/84/42/435678442.db2.gz QGAWEYPAEHQTOG-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C)C1 ZINC000548299130 435681732 /nfs/dbraw/zinc/68/17/32/435681732.db2.gz FNVFBDUMJDQZME-CHWSQXEVSA-N 0 3 319.836 3.062 20 30 DGEDHN Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3=O)nc(C)n1 ZINC000645954652 435727516 /nfs/dbraw/zinc/72/75/16/435727516.db2.gz WKWQSUKFESDDPD-MRXNPFEDSA-N 0 3 319.364 3.103 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)CCCC3=O)nc(C)n1 ZINC000645954652 435727517 /nfs/dbraw/zinc/72/75/17/435727517.db2.gz WKWQSUKFESDDPD-MRXNPFEDSA-N 0 3 319.364 3.103 20 30 DGEDHN C#CCN(Cc1ccccc1)C(=O)c1cccc(CN(C)C)c1 ZINC000491096091 435704911 /nfs/dbraw/zinc/70/49/11/435704911.db2.gz PCZUJMBZTIYKJC-UHFFFAOYSA-N 0 3 306.409 3.024 20 30 DGEDHN C=CCOc1ccccc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000519885442 435717495 /nfs/dbraw/zinc/71/74/95/435717495.db2.gz VTCAMSDDOLGOOQ-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)CC(C)C ZINC000519904954 435718828 /nfs/dbraw/zinc/71/88/28/435718828.db2.gz LPHYWYADOZBCCJ-UHFFFAOYSA-N 0 3 300.446 3.345 20 30 DGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(C)C ZINC000491737526 435803251 /nfs/dbraw/zinc/80/32/51/435803251.db2.gz QMXQFUXLXOSMDJ-OCCSQVGLSA-N 0 3 322.836 3.313 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccccc1OCc1ccccn1 ZINC000641760353 435812493 /nfs/dbraw/zinc/81/24/93/435812493.db2.gz QIARYIKISXVJOK-KRWDZBQOSA-N 0 3 312.413 3.077 20 30 DGEDHN CC(C)(C)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000550840317 435812821 /nfs/dbraw/zinc/81/28/21/435812821.db2.gz LYRPGUBNAXCTNC-KRWDZBQOSA-N 0 3 319.412 3.478 20 30 DGEDHN C=CCC[C@H](CO)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000641759598 435814132 /nfs/dbraw/zinc/81/41/32/435814132.db2.gz HCEGRNCORSVLDO-MRXNPFEDSA-N 0 3 317.408 3.045 20 30 DGEDHN CC#CC[C@H](CO)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000641768761 435815307 /nfs/dbraw/zinc/81/53/07/435815307.db2.gz HIDHXFHXPNRZRV-LLVKDONJSA-N 0 3 305.727 3.223 20 30 DGEDHN CC#CC[C@H](CO)NCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000641767118 435816100 /nfs/dbraw/zinc/81/61/00/435816100.db2.gz GYOFQCVBBYERKY-MRXNPFEDSA-N 0 3 314.454 3.291 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC000660598408 435818896 /nfs/dbraw/zinc/81/88/96/435818896.db2.gz YOWOEIHOSUDYGA-MRXNPFEDSA-N 0 3 305.466 3.025 20 30 DGEDHN C=CC[C@H]1CC[C@H](NCc2cc(C)nc(N3CCCC3)n2)C1 ZINC000651816553 435838539 /nfs/dbraw/zinc/83/85/39/435838539.db2.gz ZNFFUJJHOUIOCA-HOTGVXAUSA-N 0 3 300.450 3.220 20 30 DGEDHN CC[C@H]1CN(C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000572583440 435842608 /nfs/dbraw/zinc/84/26/08/435842608.db2.gz OVRJHKLNYFPHST-INIZCTEOSA-N 0 3 310.363 3.083 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652205417 435924739 /nfs/dbraw/zinc/92/47/39/435924739.db2.gz XLAHQIYYDFJOFM-ZNMIVQPWSA-N 0 3 321.417 3.097 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000665386043 435964133 /nfs/dbraw/zinc/96/41/33/435964133.db2.gz NXJGWFZMMOMJRB-LMMKCTJWSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000661116524 435970340 /nfs/dbraw/zinc/97/03/40/435970340.db2.gz YSIVOICJVMMMQD-CHWSQXEVSA-N 0 3 319.474 3.295 20 30 DGEDHN C=CCc1cc(CN[C@H](CO)C[C@H](C)CC)cc(OC)c1O ZINC000647244057 435987564 /nfs/dbraw/zinc/98/75/64/435987564.db2.gz SYEGYYPVADKGHG-CJNGLKHVSA-N 0 3 307.434 3.016 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CNc3ccccc3C2)cc1OC ZINC000650716770 436004050 /nfs/dbraw/zinc/00/40/50/436004050.db2.gz JLGBFAIKAXWKKI-KRWDZBQOSA-N 0 3 324.424 3.386 20 30 DGEDHN C=CCc1cc(CN[C@@H]2CNc3ccccc3C2)cc(OC)c1O ZINC000650716673 436004515 /nfs/dbraw/zinc/00/45/15/436004515.db2.gz GMFJPHCHJYUAED-KRWDZBQOSA-N 0 3 324.424 3.256 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000661367365 436044778 /nfs/dbraw/zinc/04/47/78/436044778.db2.gz IHTQZAVIQQRDKB-IKGGRYGDSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000661571300 436109835 /nfs/dbraw/zinc/10/98/35/436109835.db2.gz SJPCIDBUAHJBIZ-DZGCQCFKSA-N 0 3 307.463 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000651273292 436158645 /nfs/dbraw/zinc/15/86/45/436158645.db2.gz ILQVSKNGGQKECY-ZDUSSCGKSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@@H]2C(F)(F)F)nn1 ZINC000657387550 436173035 /nfs/dbraw/zinc/17/30/35/436173035.db2.gz WYBNEDOWHSRKIX-OCCSQVGLSA-N 0 3 316.371 3.313 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC3(CCCC3=O)CC2)c1 ZINC000661956036 436235721 /nfs/dbraw/zinc/23/57/21/436235721.db2.gz CCVYCRGLZMUFKU-UHFFFAOYSA-N 0 3 312.413 3.162 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000662080854 436268248 /nfs/dbraw/zinc/26/82/48/436268248.db2.gz RRWYYXHXTIRETI-RRQGHBQHSA-N 0 3 302.393 3.186 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)Cc1ccccc1C ZINC000662084226 436269929 /nfs/dbraw/zinc/26/99/29/436269929.db2.gz OWYSNOFIKOJGCA-QRQLOZEOSA-N 0 3 312.457 3.225 20 30 DGEDHN C=CCOCCCNCc1cccc(Br)c1OC ZINC000657657881 436270717 /nfs/dbraw/zinc/27/07/17/436270717.db2.gz FPMSJTSNFUTREW-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccccc1 ZINC000657850721 436326631 /nfs/dbraw/zinc/32/66/31/436326631.db2.gz LAHMVOABJCLEQY-DOTOQJQBSA-N 0 3 307.459 3.185 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)c1cc2c(s1)CCNC2 ZINC000662352758 436337090 /nfs/dbraw/zinc/33/70/90/436337090.db2.gz IETURRWHAIRYRM-UHFFFAOYSA-N 0 3 318.467 3.284 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)CCC1 ZINC000658950191 436450857 /nfs/dbraw/zinc/45/08/57/436450857.db2.gz OXQZZMBPODQDMW-IAGOWNOFSA-N 0 3 316.420 3.215 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659038004 436461117 /nfs/dbraw/zinc/46/11/17/436461117.db2.gz LGAOQYNPJRKUSV-WMLDXEAASA-N 0 3 317.433 3.214 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659369724 436501335 /nfs/dbraw/zinc/50/13/35/436501335.db2.gz TXIXHLPYOPMIDT-KRWDZBQOSA-N 0 3 300.402 3.054 20 30 DGEDHN C=CCn1c(N2CCN(C(C)(C)CC)CC2)nnc1C(C)(C)C ZINC000655618698 436569018 /nfs/dbraw/zinc/56/90/18/436569018.db2.gz SAJDSIXFXDKVQG-UHFFFAOYSA-N 0 3 319.497 3.072 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)C1 ZINC000459659523 303160411 /nfs/dbraw/zinc/16/04/11/303160411.db2.gz KLHAQNVKOPCXQO-MGPQQGTHSA-N 0 3 316.367 3.360 20 30 DGEDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cnn1C(C)(C)C ZINC000330960211 533698568 /nfs/dbraw/zinc/69/85/68/533698568.db2.gz JCEXCXBUPCDBPP-UHFFFAOYSA-N 0 3 320.481 3.373 20 30 DGEDHN N#Cc1ccc(CNCCCOc2cccc3cccnc32)o1 ZINC000174385819 312762931 /nfs/dbraw/zinc/76/29/31/312762931.db2.gz UTZWOQYFUMTCLD-UHFFFAOYSA-N 0 3 307.353 3.258 20 30 DGEDHN COC(=O)CC1(NCc2cccc(C#N)c2F)CCCCC1 ZINC000540295637 313954803 /nfs/dbraw/zinc/95/48/03/313954803.db2.gz LPVFLSKXNKPABW-UHFFFAOYSA-N 0 3 304.365 3.053 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN(CCC(C)(C)C)CC2)c1C#N ZINC000542281613 314067825 /nfs/dbraw/zinc/06/78/25/314067825.db2.gz FKRJEKKGGUCNQW-UHFFFAOYSA-N 0 3 320.868 3.473 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)c1C#N ZINC000547832989 314401092 /nfs/dbraw/zinc/40/10/92/314401092.db2.gz OKEDOGIVZZEOQL-IIYDPXPESA-N 0 3 300.402 3.259 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N ZINC000548159528 314427791 /nfs/dbraw/zinc/42/77/91/314427791.db2.gz NUSBZNQJNSRXTH-OGHNNQOOSA-N 0 3 300.402 3.259 20 30 DGEDHN C[C@H](N[C@@H]1CCn2ccnc2C1)c1ccc(C#N)cc1Cl ZINC000555788497 314736005 /nfs/dbraw/zinc/73/60/05/314736005.db2.gz KUONZZYJKUDLAF-WCQYABFASA-N 0 3 300.793 3.074 20 30 DGEDHN N#Cc1ccc(N2CCN(CCC3CCCCCC3)CC2)nc1 ZINC000558401208 314840802 /nfs/dbraw/zinc/84/08/02/314840802.db2.gz HFGYLDWFQAMICM-UHFFFAOYSA-N 0 3 312.461 3.436 20 30 DGEDHN N#Cc1cccc(CN2CCNC[C@@H]2c2ccccc2Cl)c1 ZINC000565043778 315224850 /nfs/dbraw/zinc/22/48/50/315224850.db2.gz IIOSCAXOIMGGEM-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN Cc1csc(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000565163661 315236758 /nfs/dbraw/zinc/23/67/58/315236758.db2.gz QXJRGAWJLGFSTQ-OLZOCXBDSA-N 0 3 318.446 3.019 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc2c(c1)CCO2 ZINC000565568253 315271224 /nfs/dbraw/zinc/27/12/24/315271224.db2.gz YELBBQZWMZRAFL-UHFFFAOYSA-N 0 3 322.408 3.142 20 30 DGEDHN CN(C)[C@@H](CNc1ncc2c(c1C#N)CCC2)c1ccc(F)cc1 ZINC000567718290 315444703 /nfs/dbraw/zinc/44/47/03/315444703.db2.gz KCRNXUIXTRDLQE-SFHVURJKSA-N 0 3 324.403 3.296 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)Cc1ccc(C#N)cc1 ZINC000570223610 315634116 /nfs/dbraw/zinc/63/41/16/315634116.db2.gz AKCJOKLTLWISGJ-UHFFFAOYSA-N 0 3 322.412 3.157 20 30 DGEDHN CC[C@@H](NCCC(=O)Nc1ccccn1)c1ccc(C#N)cc1 ZINC000577180620 316210473 /nfs/dbraw/zinc/21/04/73/316210473.db2.gz RLEDQTHGUHACCP-MRXNPFEDSA-N 0 3 308.385 3.023 20 30 DGEDHN CCc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000577929550 316284684 /nfs/dbraw/zinc/28/46/84/316284684.db2.gz JREDFZGDQLDEHQ-CQSZACIVSA-N 0 3 313.426 3.230 20 30 DGEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)s1 ZINC000180539373 323231946 /nfs/dbraw/zinc/23/19/46/323231946.db2.gz RPYDTRAUZDTXIO-INIZCTEOSA-N 0 3 312.438 3.453 20 30 DGEDHN CC[C@@H]1C[C@@H](C)CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000580991450 324061512 /nfs/dbraw/zinc/06/15/12/324061512.db2.gz MDNXHIWZTPORSI-QGPMSJSTSA-N 0 3 311.429 3.174 20 30 DGEDHN Cc1nc(N[C@H]2CCN(C3CCCC3)C2)c(Cl)cc1C#N ZINC000582214843 324203251 /nfs/dbraw/zinc/20/32/51/324203251.db2.gz ADCZGRBLHVMXRV-ZDUSSCGKSA-N 0 3 304.825 3.344 20 30 DGEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cn1 ZINC000582249355 324208398 /nfs/dbraw/zinc/20/83/98/324208398.db2.gz LXBRTMWHVMGFOQ-QZTJIDSGSA-N 0 3 301.434 3.417 20 30 DGEDHN Cn1cc([C@@H]2CN(Cc3ccc(F)c(C#N)c3)CC2(C)C)cn1 ZINC000582279659 324211409 /nfs/dbraw/zinc/21/14/09/324211409.db2.gz WBBXRTUFHDEPFI-INIZCTEOSA-N 0 3 312.392 3.056 20 30 DGEDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000557468555 331792992 /nfs/dbraw/zinc/79/29/92/331792992.db2.gz GYZWVWJEAFLDPD-VQIMIIECSA-N 0 3 324.424 3.152 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000518500900 332068465 /nfs/dbraw/zinc/06/84/65/332068465.db2.gz DUMGWEFJQPRAQV-KBPBESRZSA-N 0 3 318.383 3.122 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648803 332129385 /nfs/dbraw/zinc/12/93/85/332129385.db2.gz NXBVNINZMQXANY-UHFFFAOYSA-N 0 3 323.444 3.070 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000097079363 332192353 /nfs/dbraw/zinc/19/23/53/332192353.db2.gz QRJZQXBDYVNXJA-QGZVFWFLSA-N 0 3 319.424 3.265 20 30 DGEDHN CC(C)(C)[C@@H](CCO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181473039 332195559 /nfs/dbraw/zinc/19/55/59/332195559.db2.gz SWXUVJHAUUIFSJ-OAHLLOKOSA-N 0 3 313.363 3.444 20 30 DGEDHN C=CCCCCCN(C)Cc1cc(=O)n2c(C)csc2n1 ZINC000150902762 332197714 /nfs/dbraw/zinc/19/77/14/332197714.db2.gz HGVBSVVJLKQFAR-UHFFFAOYSA-N 0 3 305.447 3.243 20 30 DGEDHN N#CC1(CN[C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000560510060 332347949 /nfs/dbraw/zinc/34/79/49/332347949.db2.gz YWCSFZXWLRKNNN-LBPRGKRZSA-N 0 3 305.219 3.200 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CCC)C2)CC1 ZINC000150746033 332416699 /nfs/dbraw/zinc/41/66/99/332416699.db2.gz UIVZAPGJHZKPIM-INIZCTEOSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCOCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000293595911 335109857 /nfs/dbraw/zinc/10/98/57/335109857.db2.gz OQPYCMWIQHNVFD-UHFFFAOYSA-N 0 3 304.365 3.349 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](O)C23CCCC3)cc1OC ZINC000293804503 335117426 /nfs/dbraw/zinc/11/74/26/335117426.db2.gz DNHHQBOZAHGJSJ-SFHVURJKSA-N 0 3 317.429 3.139 20 30 DGEDHN CC[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000522712284 333173148 /nfs/dbraw/zinc/17/31/48/333173148.db2.gz JBIHKSQGTLQWHY-MRXNPFEDSA-N 0 3 305.466 3.183 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC12CCN(CCCCC#N)CC2 ZINC000497196052 333220261 /nfs/dbraw/zinc/22/02/61/333220261.db2.gz LGCYSXPCYSOBCM-UHFFFAOYSA-N 0 3 307.438 3.156 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@](C)(COC)C2)cc1OC ZINC000295207063 335131068 /nfs/dbraw/zinc/13/10/68/335131068.db2.gz ZMYWWFNABJHLKJ-SFHVURJKSA-N 0 3 305.418 3.118 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](CCCC)c2ccc(OC)cc2)C1=O ZINC000337183100 333442748 /nfs/dbraw/zinc/44/27/48/333442748.db2.gz NKDGEPZNRVNDAC-MSOLQXFVSA-N 0 3 316.445 3.303 20 30 DGEDHN CN1CCC(Nc2ccccc2NC(=O)CC(C)(C)C#N)CC1 ZINC000279546005 334109991 /nfs/dbraw/zinc/10/99/91/334109991.db2.gz XGQFGOBPDIHLFK-UHFFFAOYSA-N 0 3 314.433 3.071 20 30 DGEDHN C=CCOc1cccc(CNC[C@H]2NCCc3ccccc32)c1 ZINC000414964407 334214052 /nfs/dbraw/zinc/21/40/52/334214052.db2.gz YGQMWWDTGKSAES-HXUWFJFHSA-N 0 3 308.425 3.228 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](c1cccs1)N(C)C ZINC000119726295 334285764 /nfs/dbraw/zinc/28/57/64/334285764.db2.gz PUFFSNFNTAXOQU-INIZCTEOSA-N 0 3 314.454 3.153 20 30 DGEDHN CC(C)(C)[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000344205241 335225116 /nfs/dbraw/zinc/22/51/16/335225116.db2.gz HQXOJNBJGGRKII-INIZCTEOSA-N 0 3 313.445 3.301 20 30 DGEDHN CC[C@@]1(C)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000344213030 335225641 /nfs/dbraw/zinc/22/56/41/335225641.db2.gz GTUBQGZDHUNXAD-LPHOPBHVSA-N 0 3 313.445 3.444 20 30 DGEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000352805922 336242208 /nfs/dbraw/zinc/24/22/08/336242208.db2.gz SVYCQXWNVKUQDA-WMZOPIPTSA-N 0 3 313.445 3.222 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncnc3ccc(F)cc32)CC1 ZINC000301168952 336292950 /nfs/dbraw/zinc/29/29/50/336292950.db2.gz IYVIMULVTFNPTH-UHFFFAOYSA-N 0 3 300.381 3.221 20 30 DGEDHN C=CCCC1(C(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000355465974 336510239 /nfs/dbraw/zinc/51/02/39/336510239.db2.gz OMTZAPDBYSWQFE-UHFFFAOYSA-N 0 3 302.418 3.312 20 30 DGEDHN C=CCC[C@@H](NCCC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000582296792 336894617 /nfs/dbraw/zinc/89/46/17/336894617.db2.gz WROPKLSYWZVQSE-CYBMUJFWSA-N 0 3 300.324 3.178 20 30 DGEDHN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000007018743 336896986 /nfs/dbraw/zinc/89/69/86/336896986.db2.gz DJGKPMRPEVLFHB-XOBRGWDASA-N 0 3 321.424 3.299 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000171695806 337088296 /nfs/dbraw/zinc/08/82/96/337088296.db2.gz HPBFQZWCSQFFMU-GOSISDBHSA-N 0 3 313.445 3.014 20 30 DGEDHN C=CCCCC(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000175350241 337145253 /nfs/dbraw/zinc/14/52/53/337145253.db2.gz ZRAHUJXONJKTIP-UHFFFAOYSA-N 0 3 301.434 3.123 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H]1CCc2sc(Br)cc21 ZINC000321047707 337187586 /nfs/dbraw/zinc/18/75/86/337187586.db2.gz UTDSWPBPTTWUHN-MWLCHTKSSA-N 0 3 316.264 3.415 20 30 DGEDHN C=C(C)CN(CCc1ccncc1C)Cc1ccc(CO)o1 ZINC000584408054 337319556 /nfs/dbraw/zinc/31/95/56/337319556.db2.gz UCPWPLCMRNNIGW-UHFFFAOYSA-N 0 3 300.402 3.096 20 30 DGEDHN C=CCCCC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000584510552 337351915 /nfs/dbraw/zinc/35/19/15/337351915.db2.gz OVSSIKBLXJAALE-UHFFFAOYSA-N 0 3 302.418 3.399 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCC)c(Cl)c2)CC1 ZINC000057175419 337856661 /nfs/dbraw/zinc/85/66/61/337856661.db2.gz BRSKPMKRIHBQEX-UHFFFAOYSA-N 0 3 320.820 3.022 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCc2occc2C1 ZINC000516373470 338012184 /nfs/dbraw/zinc/01/21/84/338012184.db2.gz PGHTXKHUXCNZOL-MRXNPFEDSA-N 0 3 308.381 3.327 20 30 DGEDHN C=CCN1CC[C@@H](NC2(c3cccc(Cl)c3)CCCC2)C1=O ZINC000499605225 340040848 /nfs/dbraw/zinc/04/08/48/340040848.db2.gz IKLDNIHQTWAPMG-MRXNPFEDSA-N 0 3 318.848 3.486 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1F ZINC000502500294 340106177 /nfs/dbraw/zinc/10/61/77/340106177.db2.gz HYQBELMVBAKBIP-QGZVFWFLSA-N 0 3 315.388 3.254 20 30 DGEDHN C=CCCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000503355904 340126190 /nfs/dbraw/zinc/12/61/90/340126190.db2.gz KKMWENZIMREIGY-RDJZCZTQSA-N 0 3 303.450 3.252 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000509581999 340274048 /nfs/dbraw/zinc/27/40/48/340274048.db2.gz FTLLTGHCNVWLAO-CABCVRRESA-N 0 3 307.438 3.316 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510552360 340302508 /nfs/dbraw/zinc/30/25/08/340302508.db2.gz QDYXDPMGCTVSGA-LPHOPBHVSA-N 0 3 300.446 3.296 20 30 DGEDHN CC#CCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510619955 340304130 /nfs/dbraw/zinc/30/41/30/340304130.db2.gz XYWWMGAAMMXPKD-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN CO[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4ccc(Cl)cc4)[C@H]1[C@H]3C2 ZINC000511621669 340332847 /nfs/dbraw/zinc/33/28/47/340332847.db2.gz AAMNUHISJUFDEL-YECZKDOJSA-N 0 3 301.817 3.047 20 30 DGEDHN C=CCCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000162962741 340428050 /nfs/dbraw/zinc/42/80/50/340428050.db2.gz FBMNJAILFTTXFM-UHFFFAOYSA-N 0 3 301.434 3.122 20 30 DGEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000185307300 340499882 /nfs/dbraw/zinc/49/98/82/340499882.db2.gz CWPCGGVZAVJYSQ-UHFFFAOYSA-N 0 3 320.864 3.424 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000523609477 340629859 /nfs/dbraw/zinc/62/98/59/340629859.db2.gz SGWUUIGYBGFURZ-INIZCTEOSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C1CC1 ZINC000538958156 340863525 /nfs/dbraw/zinc/86/35/25/340863525.db2.gz ICONWEKBPNSOAR-GOSISDBHSA-N 0 3 315.461 3.212 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000539457217 340886213 /nfs/dbraw/zinc/88/62/13/340886213.db2.gz UAHNDGWSKZXFLV-DOTOQJQBSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCCCCCN(C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131436143 341087559 /nfs/dbraw/zinc/08/75/59/341087559.db2.gz FVCURKBKHLEJBK-UHFFFAOYSA-N 0 3 324.490 3.115 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000544894165 341097639 /nfs/dbraw/zinc/09/76/39/341097639.db2.gz SDHAVKKIQHYJCT-YJBOKZPZSA-N 0 3 301.434 3.009 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2cc(Cl)cs2)CC1 ZINC000076593065 341210291 /nfs/dbraw/zinc/21/02/91/341210291.db2.gz VXNZSPNGDOBTNG-UHFFFAOYSA-N 0 3 312.866 3.101 20 30 DGEDHN C=C(C)COCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000134501091 341216472 /nfs/dbraw/zinc/21/64/72/341216472.db2.gz MFOOZJXROWSLGR-UHFFFAOYSA-N 0 3 324.428 3.146 20 30 DGEDHN C=C(C)COCCNCc1ccccc1OCc1ccccn1 ZINC000134506197 341216609 /nfs/dbraw/zinc/21/66/09/341216609.db2.gz FQOKUZDLRJJINJ-UHFFFAOYSA-N 0 3 312.413 3.343 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000547527184 341220772 /nfs/dbraw/zinc/22/07/72/341220772.db2.gz WZDLFKZLPAIUFQ-UHFFFAOYSA-N 0 3 312.417 3.330 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000547976269 341241628 /nfs/dbraw/zinc/24/16/28/341241628.db2.gz QBFBITOHEZOGBE-WMZOPIPTSA-N 0 3 300.446 3.194 20 30 DGEDHN CN(CCOc1ccc(Br)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000549337270 341291408 /nfs/dbraw/zinc/29/14/08/341291408.db2.gz LYRBCBSZBQIMHL-OCCSQVGLSA-N 0 3 323.234 3.452 20 30 DGEDHN CN(C(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21)C1(C#N)CCCCC1 ZINC000550078467 341309626 /nfs/dbraw/zinc/30/96/26/341309626.db2.gz CXXOEJRLRJWEFP-HZPDHXFCSA-N 0 3 317.477 3.182 20 30 DGEDHN CC(C)CC[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247679303 341368981 /nfs/dbraw/zinc/36/89/81/341368981.db2.gz ZMDVNVOEOGTLLY-FUHWJXTLSA-N 0 3 305.466 3.086 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248866405 341388869 /nfs/dbraw/zinc/38/88/69/341388869.db2.gz QDPLOQQIIADPHQ-VQIMIIECSA-N 0 3 312.457 3.392 20 30 DGEDHN C#CCN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000248890440 341389568 /nfs/dbraw/zinc/38/95/68/341389568.db2.gz SAMBGHQJLHWUDR-WMZOPIPTSA-N 0 3 309.409 3.095 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000552538210 341398021 /nfs/dbraw/zinc/39/80/21/341398021.db2.gz OZJNQIKOQBDSDS-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CC(C)C)C2)CC1 ZINC000155595888 341610110 /nfs/dbraw/zinc/61/01/10/341610110.db2.gz MLZGHGGHWOZOHQ-KRWDZBQOSA-N 0 3 321.509 3.495 20 30 DGEDHN COc1cccc([C@@H](CNCc2cc(C#N)cs2)N(C)C)c1 ZINC000177680122 533719550 /nfs/dbraw/zinc/71/95/50/533719550.db2.gz YPGZVRXLUWILKK-QGZVFWFLSA-N 0 3 315.442 3.021 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1csc(C(F)(F)F)c1 ZINC001344374132 1179422143 /nfs/dbraw/zinc/42/21/43/1179422143.db2.gz LHOQAINIVUKVEF-SNVBAGLBSA-N 0 3 306.353 3.067 20 30 DGEDHN COC(=O)C[C@](C)(NCCC(C)(C)C#N)c1cccc(OC)c1 ZINC000352422227 533746864 /nfs/dbraw/zinc/74/68/64/533746864.db2.gz QHEJQSKYVZDQMW-SFHVURJKSA-N 0 3 318.417 3.003 20 30 DGEDHN C[C@H](NCCOCCC#N)c1ccc(F)c(Br)c1 ZINC000339474499 533859591 /nfs/dbraw/zinc/85/95/91/533859591.db2.gz ZUPJCBHNJLJWPT-JTQLQIEISA-N 0 3 315.186 3.169 20 30 DGEDHN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000355861580 533863466 /nfs/dbraw/zinc/86/34/66/533863466.db2.gz JSGDSQNTNWNGKQ-CHWSQXEVSA-N 0 3 320.820 3.289 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000270351830 534164614 /nfs/dbraw/zinc/16/46/14/534164614.db2.gz CNEIGEZDNKRBKX-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C[C@@H](C[C@@H](O)c1ccco1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127788664 534199657 /nfs/dbraw/zinc/19/96/57/534199657.db2.gz IETKIFSPNDGETI-WAZRQNRBSA-N 0 3 310.397 3.305 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H]1CCCC[C@H]1C ZINC001498661814 1185530066 /nfs/dbraw/zinc/53/00/66/1185530066.db2.gz ZQVVMMOJBLIDSS-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN Cc1nc(CNC(=O)C(C)C#N)oc1-c1ccc(Cl)cc1 ZINC000352459612 534381788 /nfs/dbraw/zinc/38/17/88/534381788.db2.gz ANLHGKLIQMCAES-SECBINFHSA-N 0 3 303.749 3.079 20 30 DGEDHN C=C(CC)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000455530102 534406251 /nfs/dbraw/zinc/40/62/51/534406251.db2.gz ZRIBLTHRIWIADG-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(CC)CNCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000449732571 534417289 /nfs/dbraw/zinc/41/72/89/534417289.db2.gz BXWWOVWNHNNWBS-UHFFFAOYSA-N 0 3 315.360 3.404 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000489051609 534472146 /nfs/dbraw/zinc/47/21/46/534472146.db2.gz NDKPUGATIYKNMC-WMZOPIPTSA-N 0 3 323.440 3.239 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000458986520 534505511 /nfs/dbraw/zinc/50/55/11/534505511.db2.gz KPOZBLYOBWOCJW-UHFFFAOYSA-N 0 3 321.440 3.111 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000458805962 534546094 /nfs/dbraw/zinc/54/60/94/534546094.db2.gz BMFDWCINNFMMSN-MRXNPFEDSA-N 0 3 307.482 3.249 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000449546414 534575707 /nfs/dbraw/zinc/57/57/07/534575707.db2.gz BQZJZIPRRXCMGJ-UXHICEINSA-N 0 3 324.424 3.484 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000451603382 534611093 /nfs/dbraw/zinc/61/10/93/534611093.db2.gz ZBYTUXFFDDOAQC-OIISXLGYSA-N 0 3 316.445 3.379 20 30 DGEDHN N#CCCCNCc1ccc(Br)c2cccnc12 ZINC000344344441 534614220 /nfs/dbraw/zinc/61/42/20/534614220.db2.gz DRSOOAALJCNTDA-UHFFFAOYSA-N 0 3 304.191 3.391 20 30 DGEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000452084254 534631649 /nfs/dbraw/zinc/63/16/49/534631649.db2.gz UTSOFQAUDMCTST-HNNXBMFYSA-N 0 3 305.466 3.087 20 30 DGEDHN N#CCC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000130598972 534656121 /nfs/dbraw/zinc/65/61/21/534656121.db2.gz YFPULFGPZJFMLS-OAHLLOKOSA-N 0 3 310.353 3.256 20 30 DGEDHN Cn1c(CNCCCCC#N)nc2cc(C(F)(F)F)ccc21 ZINC000177766590 534691422 /nfs/dbraw/zinc/69/14/22/534691422.db2.gz XQPGZUBFHFOKQT-UHFFFAOYSA-N 0 3 310.323 3.376 20 30 DGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccccc1OCC ZINC000489505532 534695538 /nfs/dbraw/zinc/69/55/38/534695538.db2.gz DLENTAUDHOSHEG-HNNXBMFYSA-N 0 3 302.418 3.454 20 30 DGEDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000266541153 525446383 /nfs/dbraw/zinc/44/63/83/525446383.db2.gz HDSQINSBSRHNAI-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)CCc1ccco1 ZINC000352699899 526273255 /nfs/dbraw/zinc/27/32/55/526273255.db2.gz GJAOONSXNKEAHL-UHFFFAOYSA-N 0 3 316.376 3.478 20 30 DGEDHN CC(C)(C)N(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000152301256 526277374 /nfs/dbraw/zinc/27/73/74/526277374.db2.gz QKDWHVPGQBPATC-LJQANCHMSA-N 0 3 313.445 3.096 20 30 DGEDHN CC#CCCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000156610137 526309461 /nfs/dbraw/zinc/30/94/61/526309461.db2.gz HCRMCMKQWVNEAZ-HNNXBMFYSA-N 0 3 313.376 3.469 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127229737 526340224 /nfs/dbraw/zinc/34/02/24/526340224.db2.gz LLLXMMAQXRJZTB-HXUWFJFHSA-N 0 3 322.408 3.288 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000130116135 526355628 /nfs/dbraw/zinc/35/56/28/526355628.db2.gz YUROTDKCDGUNNY-RDJZCZTQSA-N 0 3 313.445 3.009 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341188425 526361747 /nfs/dbraw/zinc/36/17/47/526361747.db2.gz DEWOLXXTPOGBLF-GOEBONIOSA-N 0 3 319.424 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)CSc2cc(C)ccc2C)CC1 ZINC000171725200 526422079 /nfs/dbraw/zinc/42/20/79/526422079.db2.gz NVTUTTFBTZHLEM-UHFFFAOYSA-N 0 3 318.486 3.162 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000171722995 526446037 /nfs/dbraw/zinc/44/60/37/526446037.db2.gz ADBODGSEFQLSMR-UHFFFAOYSA-N 0 3 304.459 3.007 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3n2CC)CC1 ZINC000357830848 526446284 /nfs/dbraw/zinc/44/62/84/526446284.db2.gz SQWWYIJHEDNVOG-UHFFFAOYSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000344829590 526446435 /nfs/dbraw/zinc/44/64/35/526446435.db2.gz OGILMPDNVOETDN-UHFFFAOYSA-N 0 3 310.397 3.327 20 30 DGEDHN C=C(C)CCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000351992919 526455583 /nfs/dbraw/zinc/45/55/83/526455583.db2.gz GGOXXQORYGOCKE-CYBMUJFWSA-N 0 3 310.323 3.469 20 30 DGEDHN C=CCN1CC[C@@H](N(C)CC2CCC(C(F)(F)F)CC2)C1=O ZINC000337234341 526468255 /nfs/dbraw/zinc/46/82/55/526468255.db2.gz XABDKVLXAIKJHC-JXQTWKCFSA-N 0 3 318.383 3.074 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000180866398 526488998 /nfs/dbraw/zinc/48/89/98/526488998.db2.gz PLDZCGRLMANJCC-OAHLLOKOSA-N 0 3 321.490 3.178 20 30 DGEDHN C=CCN1CC[C@H](N(C2CC2)C2CC(c3ccccc3C)C2)C1=O ZINC000337176003 526503261 /nfs/dbraw/zinc/50/32/61/526503261.db2.gz JAFYJAWINSNZKL-NLPFYKDJSA-N 0 3 324.468 3.492 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2ccccc2)C1 ZINC000433049456 526523305 /nfs/dbraw/zinc/52/33/05/526523305.db2.gz VACRLCZTBOVBLA-SFHVURJKSA-N 0 3 300.446 3.291 20 30 DGEDHN C=C(C)CN(CC)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429724452 526546463 /nfs/dbraw/zinc/54/64/63/526546463.db2.gz MLIJWJYVGTUHMR-IBGZPJMESA-N 0 3 302.462 3.176 20 30 DGEDHN C=C(C)CN(CCCO[C@H]1CCCCO1)Cc1ccc(CO)o1 ZINC000352800798 526551277 /nfs/dbraw/zinc/55/12/77/526551277.db2.gz PXLHKMWPTHZRAN-SFHVURJKSA-N 0 3 323.433 3.083 20 30 DGEDHN C=C(C)CN(CCc1cnn(CC)c1)Cc1cnn(C(C)C)c1 ZINC000352920992 526552272 /nfs/dbraw/zinc/55/22/72/526552272.db2.gz CSPIEJBQLAHVGH-UHFFFAOYSA-N 0 3 315.465 3.301 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(F)cc2F)CC1 ZINC000126877836 526582643 /nfs/dbraw/zinc/58/26/43/526582643.db2.gz MRQCKEHCHZUIFL-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC000180064823 526583441 /nfs/dbraw/zinc/58/34/41/526583441.db2.gz KJBVQHAMBKRQKQ-UHFFFAOYSA-N 0 3 314.473 3.311 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000121252568 526599044 /nfs/dbraw/zinc/59/90/44/526599044.db2.gz IWKHHNFTGYGNQF-HOTGVXAUSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3nccc(C)c3c2)CC1 ZINC000352272232 526600694 /nfs/dbraw/zinc/60/06/94/526600694.db2.gz GWHPPASINKEMEZ-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185381310 526605365 /nfs/dbraw/zinc/60/53/65/526605365.db2.gz DQBCNWJGOMKYIE-UHFFFAOYSA-N 0 3 305.378 3.056 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(CC)C[C@@H]2C)ccc1OC ZINC000348562160 526658932 /nfs/dbraw/zinc/65/89/32/526658932.db2.gz YSDBYHQGNOHWCZ-INIZCTEOSA-N 0 3 318.461 3.176 20 30 DGEDHN C=C(C)COc1cc(CNCC2(CC#N)CC2)ccc1OC ZINC000430019076 526660903 /nfs/dbraw/zinc/66/09/03/526660903.db2.gz GILXQMIQPFCCPA-UHFFFAOYSA-N 0 3 300.402 3.434 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](CO)C/C=C/C)ccc1OC ZINC000185826620 526663293 /nfs/dbraw/zinc/66/32/93/526663293.db2.gz OMPZJFORGVEXFZ-JFDDCEBESA-N 0 3 305.418 3.067 20 30 DGEDHN C#CCCCCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000180037352 526687045 /nfs/dbraw/zinc/68/70/45/526687045.db2.gz KJNTWPGDKOSCOA-MRXNPFEDSA-N 0 3 300.446 3.426 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2ccc(OC)cc2s1 ZINC000435742878 526782617 /nfs/dbraw/zinc/78/26/17/526782617.db2.gz XGBDGOILIJSDRN-PXAZEXFGSA-N 0 3 318.442 3.376 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1 ZINC000357828245 526847476 /nfs/dbraw/zinc/84/74/76/526847476.db2.gz CEHNTWZXUBKUNP-HOTGVXAUSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(CC)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000358503164 526850715 /nfs/dbraw/zinc/85/07/15/526850715.db2.gz WYKVDQPKICSOMP-UHFFFAOYSA-N 0 3 305.397 3.378 20 30 DGEDHN C=C(CC)CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000358512731 526851848 /nfs/dbraw/zinc/85/18/48/526851848.db2.gz UHYYLQRLLIDTBI-CYBMUJFWSA-N 0 3 307.825 3.352 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000352738960 526865161 /nfs/dbraw/zinc/86/51/61/526865161.db2.gz WDWKUBYPYQLZGM-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](CO)CC2)cc1Cl ZINC000354687376 526867689 /nfs/dbraw/zinc/86/76/89/526867689.db2.gz FLYXLWWSAAUNIG-CQSZACIVSA-N 0 3 309.837 3.499 20 30 DGEDHN C=C(CNC(=O)NC[C@@H](N)c1ccccc1CC)c1ccccc1 ZINC000418194835 526872475 /nfs/dbraw/zinc/87/24/75/526872475.db2.gz FTWFMWADTFOOAC-LJQANCHMSA-N 0 3 323.440 3.261 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1Cl ZINC000346344306 526873716 /nfs/dbraw/zinc/87/37/16/526873716.db2.gz WHNCQFWMYHTVMB-DZKIICNBSA-N 0 3 307.821 3.108 20 30 DGEDHN C=C(CNCc1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000341433517 526881171 /nfs/dbraw/zinc/88/11/71/526881171.db2.gz YVRRYJXRULSZHG-UHFFFAOYSA-N 0 3 311.381 3.041 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1 ZINC000359107001 526881385 /nfs/dbraw/zinc/88/13/85/526881385.db2.gz RMUVFRGFVKGBBS-OAGGEKHMSA-N 0 3 316.445 3.129 20 30 DGEDHN C=CCOc1ccc(CNCc2c(C)nc3ccccn32)cc1 ZINC000352923703 526887864 /nfs/dbraw/zinc/88/78/64/526887864.db2.gz VYVNKQMSKNAEMQ-UHFFFAOYSA-N 0 3 307.397 3.497 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCC(=O)N[C@@H]2C(C)(C)C)c1 ZINC000353119616 526904089 /nfs/dbraw/zinc/90/40/89/526904089.db2.gz OIQUZJYYTGMJQC-AEFFLSMTSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418248816 526954278 /nfs/dbraw/zinc/95/42/78/526954278.db2.gz IWOAAYNEQNYFOB-QGZVFWFLSA-N 0 3 311.429 3.351 20 30 DGEDHN C=CC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000338995597 526984010 /nfs/dbraw/zinc/98/40/10/526984010.db2.gz MWNCZYYUYOVMFX-KDOFPFPSSA-N 0 3 316.420 3.386 20 30 DGEDHN CC(C)(CCC#N)CNCc1cccnc1OCC(F)(F)F ZINC000174263225 526999554 /nfs/dbraw/zinc/99/95/54/526999554.db2.gz RIMPUEXUCFBIMT-UHFFFAOYSA-N 0 3 315.339 3.442 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355234189 527022019 /nfs/dbraw/zinc/02/20/19/527022019.db2.gz DSXLDKJRAFNVSD-IBGZPJMESA-N 0 3 312.457 3.488 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000343977362 527022170 /nfs/dbraw/zinc/02/21/70/527022170.db2.gz RJGDCGKMZRNRPQ-UHFFFAOYSA-N 0 3 318.436 3.484 20 30 DGEDHN C=CC[C@@H](C)NCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000180138585 527032257 /nfs/dbraw/zinc/03/22/57/527032257.db2.gz DXYYUQIWTPDBGW-CQSZACIVSA-N 0 3 307.869 3.146 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1OC(F)F ZINC000341260792 527077947 /nfs/dbraw/zinc/07/79/47/527077947.db2.gz CGUQGVLPCNZPLT-SNVBAGLBSA-N 0 3 305.752 3.216 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000341892981 527082379 /nfs/dbraw/zinc/08/23/79/527082379.db2.gz XLNHCWONVIDTNW-DOMZBBRYSA-N 0 3 317.351 3.167 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)NCc2cccs2)CCCC1(C)C ZINC000444792866 527119239 /nfs/dbraw/zinc/11/92/39/527119239.db2.gz QIEBJILPHPACAO-HNNXBMFYSA-N 0 3 306.475 3.431 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000344336554 527157288 /nfs/dbraw/zinc/15/72/88/527157288.db2.gz SUIWNLUUDQBMMP-BPQIPLTHSA-N 0 3 315.461 3.303 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000341883107 527190339 /nfs/dbraw/zinc/19/03/39/527190339.db2.gz USRPSFSNGSDBHE-MNOVXSKESA-N 0 3 303.324 3.262 20 30 DGEDHN CC(=O)c1ccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1O ZINC000331232137 527220920 /nfs/dbraw/zinc/22/09/20/527220920.db2.gz ISLBEWPPUOUDNC-STQMWFEESA-N 0 3 318.417 3.020 20 30 DGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1nccs1 ZINC000433339780 527281673 /nfs/dbraw/zinc/28/16/73/527281673.db2.gz BXYZWOPDWZSIFE-AWEZNQCLSA-N 0 3 313.426 3.267 20 30 DGEDHN C=CCCN[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000172942311 527327146 /nfs/dbraw/zinc/32/71/46/527327146.db2.gz AKXSXXMFTSVJRB-SFHVURJKSA-N 0 3 315.438 3.345 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000337746579 527396302 /nfs/dbraw/zinc/39/63/02/527396302.db2.gz UJHWYEXOVMIKGN-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C#Cc1ccc(CNc2ccccc2CN2CCC(O)CC2)cc1 ZINC000289173954 527438498 /nfs/dbraw/zinc/43/84/98/527438498.db2.gz FMNCEDHWEBETFK-UHFFFAOYSA-N 0 3 320.436 3.237 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000427751793 527463549 /nfs/dbraw/zinc/46/35/49/527463549.db2.gz IFTDJCLHCHRSPN-SNRMKQJTSA-N 0 3 312.457 3.335 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000359022628 527540419 /nfs/dbraw/zinc/54/04/19/527540419.db2.gz WEPRQKOFADJSKY-QAPCUYQASA-N 0 3 313.445 3.009 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000135635416 527572598 /nfs/dbraw/zinc/57/25/98/527572598.db2.gz KWECBHMGTVCJAH-NUJGCVRESA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000341036248 527629779 /nfs/dbraw/zinc/62/97/79/527629779.db2.gz JOBRAKIGYDAPSR-CRAIPNDOSA-N 0 3 316.445 3.325 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccncc1F)C(C)C ZINC000184199531 527646845 /nfs/dbraw/zinc/64/68/45/527646845.db2.gz YTHDIDJQOGNDHV-INIZCTEOSA-N 0 3 320.412 3.041 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCC(C)(F)F)C(C)C ZINC000297322738 527649033 /nfs/dbraw/zinc/64/90/33/527649033.db2.gz YFUZQYJJOLILCS-CQSZACIVSA-N 0 3 317.424 3.030 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ncccc1Cl)C(C)C ZINC000340303658 527649610 /nfs/dbraw/zinc/64/96/10/527649610.db2.gz XERYZXSQDMQOEE-OAHLLOKOSA-N 0 3 321.852 3.163 20 30 DGEDHN CCN1CCN(c2ccc(N[C@H]3CC[C@@H](C#N)C3)c(C)c2)CC1 ZINC000442872847 527707895 /nfs/dbraw/zinc/70/78/95/527707895.db2.gz OAIPUIKUBWSEHY-SJORKVTESA-N 0 3 312.461 3.241 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000338785516 527858921 /nfs/dbraw/zinc/85/89/21/527858921.db2.gz BXYMALMLEFRHNO-IAGOWNOFSA-N 0 3 312.413 3.452 20 30 DGEDHN CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H](N)CCCC#N ZINC000424064938 528181909 /nfs/dbraw/zinc/18/19/09/528181909.db2.gz KRKNYOZGBNFTQQ-QGZVFWFLSA-N 0 3 319.424 3.366 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000343638615 528235099 /nfs/dbraw/zinc/23/50/99/528235099.db2.gz ZKPPZGPDKSWERC-KRWDZBQOSA-N 0 3 313.445 3.092 20 30 DGEDHN CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000330911826 528359891 /nfs/dbraw/zinc/35/98/91/528359891.db2.gz QJTDGWNYGFBCAB-UKRRQHHQSA-N 0 3 320.433 3.271 20 30 DGEDHN CCOC1(C)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000358703286 528445764 /nfs/dbraw/zinc/44/57/64/528445764.db2.gz ZLPCRLGQFFRDII-KRWDZBQOSA-N 0 3 314.429 3.177 20 30 DGEDHN CCOc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433221353 528650614 /nfs/dbraw/zinc/65/06/14/528650614.db2.gz STSVVENDXUFJIR-GOSISDBHSA-N 0 3 322.408 3.474 20 30 DGEDHN CCC(CC)CN(CCC#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000345295450 528748044 /nfs/dbraw/zinc/74/80/44/528748044.db2.gz AZZYLTPUIALTTA-INIZCTEOSA-N 0 3 307.482 3.429 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)c1ncc(C#N)cc1F ZINC000413122045 528781237 /nfs/dbraw/zinc/78/12/37/528781237.db2.gz YFHZBTBVXDJMBE-UHFFFAOYSA-N 0 3 312.392 3.180 20 30 DGEDHN CCc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428783493 529169418 /nfs/dbraw/zinc/16/94/18/529169418.db2.gz RRVCNXJWCGRQFB-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000346515637 529199463 /nfs/dbraw/zinc/19/94/63/529199463.db2.gz BXKCHXSZSVQJBX-SWLSCSKDSA-N 0 3 319.836 3.332 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000330955082 529199689 /nfs/dbraw/zinc/19/96/89/529199689.db2.gz MRDPJOHCZCEBQQ-HNNXBMFYSA-N 0 3 303.381 3.266 20 30 DGEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000127111216 529299279 /nfs/dbraw/zinc/29/92/79/529299279.db2.gz VMCTWEZPSPCWDT-DLBZAZTESA-N 0 3 313.445 3.444 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@]2(CCSC2)C1 ZINC000451962872 536643691 /nfs/dbraw/zinc/64/36/91/536643691.db2.gz GIWUVRMPQFPYRH-KRWDZBQOSA-N 0 3 302.443 3.286 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ncnc2onc(C)c21)C(C)C ZINC000193386301 546243335 /nfs/dbraw/zinc/24/33/35/546243335.db2.gz SZHYSXWFHLYVKR-CQSZACIVSA-N 0 3 315.421 3.037 20 30 DGEDHN C=CCOCCCN1CCC2(CC1)OCCc1ccsc12 ZINC000348061239 546585068 /nfs/dbraw/zinc/58/50/68/546585068.db2.gz YFRMNSDBPOTUGB-UHFFFAOYSA-N 0 3 307.459 3.205 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCN(C)C[C@@H]1CC)c1ccccc1 ZINC000670379639 547746515 /nfs/dbraw/zinc/74/65/15/547746515.db2.gz HWFKGIAZVCRPDJ-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000675193449 548170935 /nfs/dbraw/zinc/17/09/35/548170935.db2.gz HPYWKTKPRBUVNP-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000678050006 548600735 /nfs/dbraw/zinc/60/07/35/548600735.db2.gz SMFHRIWWIJPIEM-GOEBONIOSA-N 0 3 309.837 3.368 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000678754004 548757885 /nfs/dbraw/zinc/75/78/85/548757885.db2.gz BLXSVTPVLYGZRW-GDBMZVCRSA-N 0 3 307.434 3.462 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678782711 548763216 /nfs/dbraw/zinc/76/32/16/548763216.db2.gz MQWOJDOTIOSQEX-GJZGRUSLSA-N 0 3 317.351 3.310 20 30 DGEDHN C=CC[C@H](CO)NCc1c(OC(F)F)ccc2ccccc21 ZINC000680484437 549058093 /nfs/dbraw/zinc/05/80/93/549058093.db2.gz IYFQMHHVMQJIPG-CYBMUJFWSA-N 0 3 307.340 3.468 20 30 DGEDHN N#CC(C(=O)c1ccc(OC2CCCC2)cc1)c1ccncn1 ZINC000680617696 549076263 /nfs/dbraw/zinc/07/62/63/549076263.db2.gz BKKWNZYJGXJJPV-INIZCTEOSA-N 0 3 307.353 3.288 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000681726635 549246709 /nfs/dbraw/zinc/24/67/09/549246709.db2.gz FIHOBVCEDVEXPY-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@H](Cc3ccc(C)cc3)C2)C1=O ZINC000685000029 549731906 /nfs/dbraw/zinc/73/19/06/549731906.db2.gz CHUZGAYYCOTHHM-RTBURBONSA-N 0 3 312.457 3.036 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc(Cl)sc1Cl ZINC001567334858 1190137263 /nfs/dbraw/zinc/13/72/63/1190137263.db2.gz DBMFKLWJMHOGOH-UHFFFAOYSA-N 0 3 307.246 3.293 20 30 DGEDHN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417224 574528817 /nfs/dbraw/zinc/52/88/17/574528817.db2.gz NLZRHOQXAPNKOZ-JBLDHEPKSA-N 0 3 304.346 3.037 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000731212708 574545647 /nfs/dbraw/zinc/54/56/47/574545647.db2.gz RVDNKVFTSDHHRC-GOSISDBHSA-N 0 3 307.397 3.275 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ncoc1C(C)C)C(C)C ZINC000732306193 574571090 /nfs/dbraw/zinc/57/10/90/574571090.db2.gz KZTBPMSOTRTSIS-OAHLLOKOSA-N 0 3 319.449 3.226 20 30 DGEDHN C[C@H](N[C@@H](C)c1csc2ccccc21)C(=O)N(C)CCC#N ZINC000732918420 574587337 /nfs/dbraw/zinc/58/73/37/574587337.db2.gz LJBHCRGOQFKJRX-STQMWFEESA-N 0 3 315.442 3.312 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Cl)nc1)C(C)C ZINC000733162164 574600455 /nfs/dbraw/zinc/60/04/55/574600455.db2.gz TXIIESYMDSOXHF-HNNXBMFYSA-N 0 3 321.852 3.163 20 30 DGEDHN Cc1nc(CCC(=O)C(C#N)c2nc3ccccc3o2)cs1 ZINC000733681212 574633403 /nfs/dbraw/zinc/63/34/03/574633403.db2.gz QGJBRVLPHPSVSP-LBPRGKRZSA-N 0 3 311.366 3.402 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@H]1CCCN1Cc1ccccc1 ZINC000734096886 574650823 /nfs/dbraw/zinc/65/08/23/574650823.db2.gz SADRYGYUQBORCS-RHTHQAGFSA-N 0 3 324.424 3.484 20 30 DGEDHN C=CCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(C)C ZINC000734217171 574654170 /nfs/dbraw/zinc/65/41/70/574654170.db2.gz DTFFBVQFICHZTP-SFHVURJKSA-N 0 3 315.461 3.257 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CCCCO3)nc21 ZINC000735792148 574715814 /nfs/dbraw/zinc/71/58/14/574715814.db2.gz INGFLLVHMHPSSE-ZIAGYGMSSA-N 0 3 311.385 3.397 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CCCCO3)[nH]c21 ZINC000735792148 574715816 /nfs/dbraw/zinc/71/58/16/574715816.db2.gz INGFLLVHMHPSSE-ZIAGYGMSSA-N 0 3 311.385 3.397 20 30 DGEDHN CCCCCCCCCCN1CCC(S(=O)(=O)NC)CC1 ZINC000740877689 574945018 /nfs/dbraw/zinc/94/50/18/574945018.db2.gz XHVBLDFVORKPMY-UHFFFAOYSA-N 0 3 318.527 3.141 20 30 DGEDHN C[C@@H]1CC(=NNCc2ccc(Br)cc2)CCN1C ZINC000741463604 574958686 /nfs/dbraw/zinc/95/86/86/574958686.db2.gz HMWPOFFBVCQWIP-LLVKDONJSA-N 0 3 310.239 3.009 20 30 DGEDHN COc1ccc(CNC[C@H](O)c2ccccc2Cl)cc1C#N ZINC000742371887 574993604 /nfs/dbraw/zinc/99/36/04/574993604.db2.gz BCRDSQPGHLSQBA-INIZCTEOSA-N 0 3 316.788 3.043 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](C)Oc1cccc(F)c1 ZINC000742381561 574994858 /nfs/dbraw/zinc/99/48/58/574994858.db2.gz ZTJMLLBEDLPVAE-OAHLLOKOSA-N 0 3 313.372 3.395 20 30 DGEDHN C#CCOc1ccccc1CNCCN1CCCc2ccccc21 ZINC000742718131 575014626 /nfs/dbraw/zinc/01/46/26/575014626.db2.gz KWDQCPMJDONFST-UHFFFAOYSA-N 0 3 320.436 3.241 20 30 DGEDHN CN(C)CCOc1ccc(C=NNc2ccc(Cl)nc2)cc1 ZINC000743450731 575052375 /nfs/dbraw/zinc/05/23/75/575052375.db2.gz PABACVABBOGYIU-UHFFFAOYSA-N 0 3 318.808 3.121 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744022108 575068873 /nfs/dbraw/zinc/06/88/73/575068873.db2.gz HWKGEEOQGQAFPY-WFASDCNBSA-N 0 3 320.820 3.459 20 30 DGEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000744028786 575069095 /nfs/dbraw/zinc/06/90/95/575069095.db2.gz MLIABGAPPMJYAU-DZGCQCFKSA-N 0 3 310.353 3.348 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000744038462 575069496 /nfs/dbraw/zinc/06/94/96/575069496.db2.gz VOSRKCBWHCICNK-IAQYHMDHSA-N 0 3 318.804 3.211 20 30 DGEDHN C=C(C)CCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000744302950 575082614 /nfs/dbraw/zinc/08/26/14/575082614.db2.gz JBTMSRKHSAOBNM-CQSZACIVSA-N 0 3 307.777 3.202 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000728917210 575194387 /nfs/dbraw/zinc/19/43/87/575194387.db2.gz UKYWLIPYNKFGTQ-LBPRGKRZSA-N 0 3 301.415 3.203 20 30 DGEDHN Cc1cccc(OCCN(C)Cc2ccc(OCC#N)cc2)c1 ZINC000729267972 575231249 /nfs/dbraw/zinc/23/12/49/575231249.db2.gz CQIVJKRJWYAKQW-UHFFFAOYSA-N 0 3 310.397 3.408 20 30 DGEDHN CC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729473299 575251210 /nfs/dbraw/zinc/25/12/10/575251210.db2.gz WLRWAEHICDRWJK-NEPJUHHUSA-N 0 3 301.415 3.203 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccc(C)c(F)c2)CC1 ZINC000729943279 575267581 /nfs/dbraw/zinc/26/75/81/575267581.db2.gz TXDQKMNAAVHCCE-UHFFFAOYSA-N 0 3 307.438 3.071 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@@H](C)c2ccccc2)CC1 ZINC000729941817 575267721 /nfs/dbraw/zinc/26/77/21/575267721.db2.gz DEPUBLXJNKDWPY-HNNXBMFYSA-N 0 3 317.502 3.252 20 30 DGEDHN C=C(C)CNC(=S)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746395896 575450321 /nfs/dbraw/zinc/45/03/21/575450321.db2.gz BEJANSYSLIERCO-KRWDZBQOSA-N 0 3 317.502 3.033 20 30 DGEDHN CC(C)[C@H]1CN(C)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000746461717 575454128 /nfs/dbraw/zinc/45/41/28/575454128.db2.gz FUZBIIZIWLIVBO-MRXNPFEDSA-N 0 3 321.852 3.014 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(F)n2)c([O-])c1 ZINC000747691801 575533258 /nfs/dbraw/zinc/53/32/58/575533258.db2.gz WKENWKBYAXPJFT-YBFXNURJSA-N 0 3 301.365 3.392 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOCc2ccc(Cl)s2)cc1 ZINC000747838748 575545481 /nfs/dbraw/zinc/54/54/81/575545481.db2.gz JBLKMDZDVQDJTQ-UHFFFAOYSA-N 0 3 323.849 3.300 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOC/C=C\c2ccccc2)cc1 ZINC000747838750 575545776 /nfs/dbraw/zinc/54/57/76/575545776.db2.gz JBRZNFSDULYVAF-TWGQIWQCSA-N 0 3 309.413 3.099 20 30 DGEDHN CCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c([O-])c1 ZINC000747923349 575551349 /nfs/dbraw/zinc/55/13/49/575551349.db2.gz JSKQUNLFLPYXKH-UHFFFAOYSA-N 0 3 308.381 3.441 20 30 DGEDHN CCCCCCCCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000748435336 575586615 /nfs/dbraw/zinc/58/66/15/575586615.db2.gz QWQTUFKAZIGPRR-INIZCTEOSA-N 0 3 300.512 3.291 20 30 DGEDHN COc1cccc(O)c1/C=N/CCN(C)Cc1ccc(F)cc1 ZINC000749008538 575620601 /nfs/dbraw/zinc/62/06/01/575620601.db2.gz WYLZLQMILPHHJN-UDWIEESQSA-N 0 3 316.376 3.091 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@H]1COC ZINC000751946951 575813898 /nfs/dbraw/zinc/81/38/98/575813898.db2.gz LOGYFDHDRBPBAQ-AWEZNQCLSA-N 0 3 317.458 3.383 20 30 DGEDHN COc1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)n1 ZINC000752159477 575825304 /nfs/dbraw/zinc/82/53/04/575825304.db2.gz HKOUGKWKGJTJTN-CYBMUJFWSA-N 0 3 303.321 3.128 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000726461391 576025369 /nfs/dbraw/zinc/02/53/69/576025369.db2.gz ZLVNCAPJYKXIBK-CABCVRRESA-N 0 3 315.486 3.217 20 30 DGEDHN C#Cc1cccc(NC(=S)NCCN(C)Cc2ccccc2)c1 ZINC000726475942 576025999 /nfs/dbraw/zinc/02/59/99/576025999.db2.gz DGRHSESNEIZHCD-UHFFFAOYSA-N 0 3 323.465 3.086 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](C)N(C)c1ccccc1 ZINC000727643952 576135362 /nfs/dbraw/zinc/13/53/62/576135362.db2.gz RJKDJXGMGNVRBZ-QGZVFWFLSA-N 0 3 308.425 3.313 20 30 DGEDHN C#Cc1ccc(C(=O)Nc2cccc(CN(CC)CC)c2)nc1 ZINC000728810821 576208139 /nfs/dbraw/zinc/20/81/39/576208139.db2.gz WVKWZLLUEHFYHW-UHFFFAOYSA-N 0 3 307.397 3.157 20 30 DGEDHN C#CCN(C[C@H](O)c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000917116975 620657356 /nfs/dbraw/zinc/65/73/56/620657356.db2.gz CLFFLTXBZZMBHL-PMACEKPBSA-N 0 3 309.384 3.482 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@@H](c1ccc(F)cc1)N(C)C ZINC000917557464 620675920 /nfs/dbraw/zinc/67/59/20/620675920.db2.gz NJFQGPBUNIBESK-YODDIOPGSA-N 0 3 316.376 3.262 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1csc(C#N)c1 ZINC000891678109 617866867 /nfs/dbraw/zinc/86/68/67/617866867.db2.gz HLGDXGSNRAXRAP-UHFFFAOYSA-N 0 3 300.427 3.311 20 30 DGEDHN C=CCN(CCc1ccccc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891806431 617904003 /nfs/dbraw/zinc/90/40/03/617904003.db2.gz BHTNTKHYMPKGKZ-ZWKOTPCHSA-N 0 3 319.420 3.351 20 30 DGEDHN N#CC(C(=O)[C@H]1CCOC2(CCC2)C1)c1nc2ccccc2[nH]1 ZINC000892419857 618061975 /nfs/dbraw/zinc/06/19/75/618061975.db2.gz IUGQMKNURGVFHP-STQMWFEESA-N 0 3 309.369 3.088 20 30 DGEDHN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)C(=O)N1CCCC1 ZINC000892457364 618070483 /nfs/dbraw/zinc/07/04/83/618070483.db2.gz GZKKUWOACCXTFV-SFHVURJKSA-N 0 3 324.424 3.218 20 30 DGEDHN Cc1cc(C2(C(=O)C(C#N)c3nc(C(C)C)cs3)CC2)on1 ZINC000892802713 618313282 /nfs/dbraw/zinc/31/32/82/618313282.db2.gz PCYMLSJOFAOVCL-LLVKDONJSA-N 0 3 315.398 3.471 20 30 DGEDHN C[C@@H](NN=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000920385860 620798761 /nfs/dbraw/zinc/79/87/61/620798761.db2.gz IUQRDTVVHGPYLN-MRXNPFEDSA-N 0 3 309.413 3.208 20 30 DGEDHN C#CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000920417992 620799976 /nfs/dbraw/zinc/79/99/76/620799976.db2.gz STLQQIVUNHDHQA-UHFFFAOYSA-N 0 3 304.437 3.417 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1cc(C#N)ccc1F ZINC000854429612 620803166 /nfs/dbraw/zinc/80/31/66/620803166.db2.gz XDBDSLZWXWPBAI-UHFFFAOYSA-N 0 3 317.408 3.035 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC#Cc2ccccc2)[C@H]1n1cccn1 ZINC000894758577 618447447 /nfs/dbraw/zinc/44/74/47/618447447.db2.gz KEVFSAWVYZORED-GUDVDZBRSA-N 0 3 323.440 3.022 20 30 DGEDHN C#C[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000894793780 618462284 /nfs/dbraw/zinc/46/22/84/618462284.db2.gz IHIVKFWMHAKDAL-DLBZAZTESA-N 0 3 319.832 3.332 20 30 DGEDHN C#C[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000894793781 618462319 /nfs/dbraw/zinc/46/23/19/618462319.db2.gz IHIVKFWMHAKDAL-IAGOWNOFSA-N 0 3 319.832 3.332 20 30 DGEDHN CN(C)c1nc(C(F)(F)F)ccc1CNCC(C)(C)CC#N ZINC000894854709 618478656 /nfs/dbraw/zinc/47/86/56/618478656.db2.gz DSSJXXFSAXHUHW-UHFFFAOYSA-N 0 3 314.355 3.196 20 30 DGEDHN CC[C@H](CC#N)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893605716 618614689 /nfs/dbraw/zinc/61/46/89/618614689.db2.gz IFVFQIHXXACGDS-RHSMWYFYSA-N 0 3 309.454 3.305 20 30 DGEDHN C[C@@H](CC#N)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000893658505 618633660 /nfs/dbraw/zinc/63/36/60/618633660.db2.gz DVBRQFHOEWQGFI-WMZOPIPTSA-N 0 3 313.445 3.049 20 30 DGEDHN CN(Cc1ccccc1)C[C@@H](OC(=O)CCCC#N)C1CC1 ZINC000893698390 618641788 /nfs/dbraw/zinc/64/17/88/618641788.db2.gz ZQLBARBYPNNKAJ-QGZVFWFLSA-N 0 3 300.402 3.134 20 30 DGEDHN C=CC1CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000894018642 618693540 /nfs/dbraw/zinc/69/35/40/618693540.db2.gz APRCRNFHNIXTIZ-CYBMUJFWSA-N 0 3 318.408 3.433 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCCC1 ZINC000895404484 618782108 /nfs/dbraw/zinc/78/21/08/618782108.db2.gz SGTNMPXWZBINLE-UHFFFAOYSA-N 0 3 306.362 3.288 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccn(C)n3)CC2)cc1 ZINC000896495089 618920291 /nfs/dbraw/zinc/92/02/91/618920291.db2.gz HKFFDFRVBLXLJM-HNNXBMFYSA-N 0 3 324.428 3.091 20 30 DGEDHN COc1ccc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 ZINC000896660744 618940828 /nfs/dbraw/zinc/94/08/28/618940828.db2.gz SNWYGIWZDRAXKB-QGZVFWFLSA-N 0 3 322.412 3.038 20 30 DGEDHN COc1ccc2c(c1)nccc2N1CCC2(CC1)CC(=O)C=CO2 ZINC000896880933 618974494 /nfs/dbraw/zinc/97/44/94/618974494.db2.gz VTYLPCSMHXQNTF-UHFFFAOYSA-N 0 3 324.380 3.086 20 30 DGEDHN CCc1noc([C@@H]2CC[C@@H](NCc3cccc(F)c3C#N)C2)n1 ZINC000897046426 619005774 /nfs/dbraw/zinc/00/57/74/619005774.db2.gz YYKBSVXWBVCBOG-DGCLKSJQSA-N 0 3 314.364 3.069 20 30 DGEDHN CCn1cc(CN2CCC(c3ccc(C#N)cc3)CC2)c(C)n1 ZINC000897589411 619163514 /nfs/dbraw/zinc/16/35/14/619163514.db2.gz XBXXDDPYGGBHLF-UHFFFAOYSA-N 0 3 308.429 3.463 20 30 DGEDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccc(C#N)c1[O-] ZINC000924716884 619264730 /nfs/dbraw/zinc/26/47/30/619264730.db2.gz ROYNOCTUDHGCNR-PBHICJAKSA-N 0 3 301.434 3.036 20 30 DGEDHN CC(C)CN(CCC#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900403243 619426878 /nfs/dbraw/zinc/42/68/78/619426878.db2.gz XYTPVFNMTUYXGX-UHFFFAOYSA-N 0 3 312.417 3.303 20 30 DGEDHN C[C@@H](C#N)CN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000901200144 619477331 /nfs/dbraw/zinc/47/73/31/619477331.db2.gz MLVXABPQNBGRIW-ZDUSSCGKSA-N 0 3 310.401 3.055 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC000901679757 619532717 /nfs/dbraw/zinc/53/27/17/619532717.db2.gz PYYOEEPWJMSKCS-OIISXLGYSA-N 0 3 308.466 3.039 20 30 DGEDHN C[C@@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1cc(C#N)ccn1 ZINC000902721274 619665742 /nfs/dbraw/zinc/66/57/42/619665742.db2.gz UXHZVZBNXPLFKB-ACJLOTCBSA-N 0 3 312.392 3.046 20 30 DGEDHN COc1cccc(O[C@H](C)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902821676 619679296 /nfs/dbraw/zinc/67/92/96/619679296.db2.gz KGOJVIMCSJQFMB-ZIAGYGMSSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@H](NC[C@@]1(C)OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000903087775 619713789 /nfs/dbraw/zinc/71/37/89/619713789.db2.gz ISMJZHBGDOSAFQ-IFXJQAMLSA-N 0 3 307.397 3.092 20 30 DGEDHN C=CCC[C@H](NCC(=O)N(CC)c1ccccc1)[C@H]1CCCO1 ZINC000903194556 619734023 /nfs/dbraw/zinc/73/40/23/619734023.db2.gz FALVTFMJUSWTPZ-ZWKOTPCHSA-N 0 3 316.445 3.143 20 30 DGEDHN CN(C)c1ccnc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000903199023 619734954 /nfs/dbraw/zinc/73/49/54/619734954.db2.gz RVDOGBOQGYOYLD-LJQANCHMSA-N 0 3 306.413 3.186 20 30 DGEDHN Cn1cnc2cc(CN[C@@H]3CCc4ccc(C#N)cc43)ccc21 ZINC000903203850 619736330 /nfs/dbraw/zinc/73/63/30/619736330.db2.gz YKLFUSBBPUAAAZ-QGZVFWFLSA-N 0 3 302.381 3.222 20 30 DGEDHN CC[C@@](O)(CCC(F)(F)F)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903256809 619745850 /nfs/dbraw/zinc/74/58/50/619745850.db2.gz QKLSAYCQXGQARV-SMDDNHRTSA-N 0 3 315.339 3.087 20 30 DGEDHN C[C@@H](N[C@@H]1CCC[C@@H]1C(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903396194 619767513 /nfs/dbraw/zinc/76/75/13/619767513.db2.gz KKVKHWRGTORCMM-VHDGCEQUSA-N 0 3 315.417 3.114 20 30 DGEDHN CCCCCCN([O-])C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000904205051 619898251 /nfs/dbraw/zinc/89/82/51/619898251.db2.gz YQGCLGKGVFDTNP-UHFFFAOYSA-N 0 3 319.449 3.405 20 30 DGEDHN Oc1ccc(Cl)cc1/C=N/[C@@H]1CCCN2CCSC[C@@H]12 ZINC000905004039 619964479 /nfs/dbraw/zinc/96/44/79/619964479.db2.gz ZKZVAHRSOWWCTQ-HRUOQZLXSA-N 0 3 310.850 3.044 20 30 DGEDHN CC1/C(=C\c2ccccc2OCC(F)(F)F)C(=O)c2ncnn21 ZINC000905081602 619968394 /nfs/dbraw/zinc/96/83/94/619968394.db2.gz RZFAIAOGNWTQPH-VKRGWIQLSA-N 0 3 323.274 3.060 20 30 DGEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1C(F)(F)F ZINC000905087136 619968981 /nfs/dbraw/zinc/96/89/81/619968981.db2.gz WGHWVTQXOMLTGO-CAXXOGMASA-N 0 3 307.275 3.446 20 30 DGEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1C(F)(F)F ZINC000905087138 619969083 /nfs/dbraw/zinc/96/90/83/619969083.db2.gz WGHWVTQXOMLTGO-NJQKBMNKSA-N 0 3 307.275 3.446 20 30 DGEDHN CC[C@](O)(CN[C@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000905287644 619985647 /nfs/dbraw/zinc/98/56/47/619985647.db2.gz HBYJKPZSBZMEAT-GJZGRUSLSA-N 0 3 312.335 3.229 20 30 DGEDHN C#CC[C@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000911515144 620335915 /nfs/dbraw/zinc/33/59/15/620335915.db2.gz GGBVFGUGCBFDAT-HNNXBMFYSA-N 0 3 309.413 3.166 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(N)c(OC)c1 ZINC000911671183 620340251 /nfs/dbraw/zinc/34/02/51/620340251.db2.gz YDVQLQNJMUJYRP-HNNXBMFYSA-N 0 3 307.438 3.294 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000912065478 620361481 /nfs/dbraw/zinc/36/14/81/620361481.db2.gz OMGHOZGDBXFNKA-SJORKVTESA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000912116744 620366777 /nfs/dbraw/zinc/36/67/77/620366777.db2.gz ZMPDZZUSROJORC-MRXNPFEDSA-N 0 3 324.428 3.372 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000912171408 620371772 /nfs/dbraw/zinc/37/17/72/620371772.db2.gz VIARTMGXWXSTPP-CYBMUJFWSA-N 0 3 316.323 3.250 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Br)ccc1F ZINC000912269190 620375537 /nfs/dbraw/zinc/37/55/37/620375537.db2.gz BRYQARTWDARJHB-LLVKDONJSA-N 0 3 315.186 3.210 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000912254866 620376230 /nfs/dbraw/zinc/37/62/30/620376230.db2.gz YAOBNIUNEUYGOX-OAHLLOKOSA-N 0 3 319.836 3.164 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000912281374 620376698 /nfs/dbraw/zinc/37/66/98/620376698.db2.gz QWPISBLPBQVLIE-OAHLLOKOSA-N 0 3 317.433 3.198 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000912341321 620380457 /nfs/dbraw/zinc/38/04/57/620380457.db2.gz DFXMPJJGHFVBPA-AAEUAGOBSA-N 0 3 312.360 3.149 20 30 DGEDHN CCCCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000915633234 620591935 /nfs/dbraw/zinc/59/19/35/620591935.db2.gz WYJMZPKUWUVGPC-UHFFFAOYSA-N 0 3 315.461 3.419 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2csc(C#N)c2)C1 ZINC000921744333 620943691 /nfs/dbraw/zinc/94/36/91/620943691.db2.gz USIHVLKMTFTZID-CYBMUJFWSA-N 0 3 321.446 3.109 20 30 DGEDHN CC(C)Oc1ccc([C@H](O)CNCc2csc(C#N)c2)cc1 ZINC000921749676 620944452 /nfs/dbraw/zinc/94/44/52/620944452.db2.gz PSFVAYCTDOVFHU-QGZVFWFLSA-N 0 3 316.426 3.230 20 30 DGEDHN COc1cccc(O[C@@H](C)CNCc2csc(C#N)c2)c1 ZINC000921790090 620950389 /nfs/dbraw/zinc/95/03/89/620950389.db2.gz VMCPQXXIQQZSQU-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN CC[C@H](NCc1csc(C#N)c1)[C@@H](O)c1c(F)cccc1F ZINC000921803488 620951927 /nfs/dbraw/zinc/95/19/27/620951927.db2.gz FBCHZWRHMQWBTE-GOEBONIOSA-N 0 3 322.380 3.500 20 30 DGEDHN CCOC(C)(C)CNCc1cc(C#N)ccc1Br ZINC000922036233 620982605 /nfs/dbraw/zinc/98/26/05/620982605.db2.gz GQTCJDVHMZTERZ-UHFFFAOYSA-N 0 3 311.223 3.225 20 30 DGEDHN CC[C@@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000922191943 621004198 /nfs/dbraw/zinc/00/41/98/621004198.db2.gz GWAQDTNNFPBCCO-UONOGXRCSA-N 0 3 323.234 3.368 20 30 DGEDHN C#C[C@H]1CC[C@H](NCc2nc(C)c(Br)s2)CC1 ZINC000922331117 621026138 /nfs/dbraw/zinc/02/61/38/621026138.db2.gz YXHRIYXBTDZTDP-XYPYZODXSA-N 0 3 313.264 3.496 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3c(c2)ncn3C)cc1 ZINC000922480433 621042287 /nfs/dbraw/zinc/04/22/87/621042287.db2.gz FXBITEQBJVXEOV-AWEZNQCLSA-N 0 3 320.396 3.154 20 30 DGEDHN C#C[C@H](N[C@@H]1CCCOCC1)c1ccc(Br)cc1 ZINC000857707358 621114992 /nfs/dbraw/zinc/11/49/92/621114992.db2.gz LTGGOTFJVLFYEB-CABCVRRESA-N 0 3 308.219 3.282 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(-c2ccccc2OC)cc1 ZINC000858335233 621177451 /nfs/dbraw/zinc/17/74/51/621177451.db2.gz QBEOVFAKKRIJTQ-SFHVURJKSA-N 0 3 309.409 3.490 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000858335416 621177550 /nfs/dbraw/zinc/17/75/50/621177550.db2.gz UKZYBRYPUBRXFD-QGZVFWFLSA-N 0 3 310.397 3.310 20 30 DGEDHN Cc1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C#N ZINC000859241417 621264090 /nfs/dbraw/zinc/26/40/90/621264090.db2.gz YAFXIRJHYWIFQZ-IBGZPJMESA-N 0 3 310.372 3.099 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000838624127 621267581 /nfs/dbraw/zinc/26/75/81/621267581.db2.gz IOHFCKZUVCHZEO-UHFFFAOYSA-N 0 3 321.424 3.015 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc2ccccc2n1 ZINC000838783732 621280138 /nfs/dbraw/zinc/28/01/38/621280138.db2.gz UBCWVJLMWGWGQZ-ATGSNQNLSA-N 0 3 304.349 3.026 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000838786554 621280745 /nfs/dbraw/zinc/28/07/45/621280745.db2.gz IJEACEXTKBOTLW-ZWNOBZJWSA-N 0 3 324.327 3.024 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H](c2ccccc2)N(C)C)CCCCC1 ZINC000788136614 621346323 /nfs/dbraw/zinc/34/63/23/621346323.db2.gz OXKNMCITPQMAOP-SFHVURJKSA-N 0 3 312.457 3.379 20 30 DGEDHN CCC(O)(CC)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000860062992 621361966 /nfs/dbraw/zinc/36/19/66/621361966.db2.gz DHXKMCAMKDXCAI-UHFFFAOYSA-N 0 3 310.825 3.225 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(CC#N)cc1)NC(=O)OC(C)(C)C ZINC000860097419 621365940 /nfs/dbraw/zinc/36/59/40/621365940.db2.gz TYLJIMQHRISBSR-AWEZNQCLSA-N 0 3 317.433 3.098 20 30 DGEDHN C#CCC1(NCc2cscc2Br)CCOCC1 ZINC000886378778 621386050 /nfs/dbraw/zinc/38/60/50/621386050.db2.gz AAIMYMZWWQLZSV-UHFFFAOYSA-N 0 3 314.248 3.173 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ncc(Cl)cc2CC)CC1 ZINC000861612123 621527372 /nfs/dbraw/zinc/52/73/72/621527372.db2.gz BWAYIMWKDYDPOE-UHFFFAOYSA-N 0 3 322.840 3.069 20 30 DGEDHN CC[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000755996098 621609016 /nfs/dbraw/zinc/60/90/16/621609016.db2.gz PNEMAJKXWJJTDY-CHWSQXEVSA-N 0 3 313.426 3.204 20 30 DGEDHN Cc1cc(NN=C(C[C@@H]2CCCO2)c2ccc(F)cc2)ccn1 ZINC000863159090 621643265 /nfs/dbraw/zinc/64/32/65/621643265.db2.gz CFPRUTKWIHLEKP-KRWDZBQOSA-N 0 3 313.376 3.336 20 30 DGEDHN C=C(C)[C@@H](CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1)OCC ZINC000756547084 621646493 /nfs/dbraw/zinc/64/64/93/621646493.db2.gz IFDWQRVIFGGKOH-QZTJIDSGSA-N 0 3 317.429 3.175 20 30 DGEDHN C#CC[C@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000756995203 621677763 /nfs/dbraw/zinc/67/77/63/621677763.db2.gz DROMXZWJOKVCGT-FQEVSTJZSA-N 0 3 318.420 3.433 20 30 DGEDHN C#C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000809685911 621702886 /nfs/dbraw/zinc/70/28/86/621702886.db2.gz YZYRWGCZSAQXQU-MRXNPFEDSA-N 0 3 315.417 3.333 20 30 DGEDHN Cc1ccc(CN2CC[C@H](/N=C\c3cccc(O)c3O)C2)cc1 ZINC000864347559 621759228 /nfs/dbraw/zinc/75/92/28/621759228.db2.gz UESQPXHAORXPNR-BCUAHEQISA-N 0 3 310.397 3.100 20 30 DGEDHN CCCCCCCCCn1cc([C@@H](N)C2CCOCC2)nn1 ZINC000864637542 621795117 /nfs/dbraw/zinc/79/51/17/621795117.db2.gz CIVAZAPRRXKQMV-KRWDZBQOSA-N 0 3 308.470 3.455 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)c1coc(C#N)c1)c1ccsc1 ZINC000864866474 621823742 /nfs/dbraw/zinc/82/37/42/621823742.db2.gz VPEHHLHYSJCRBA-OAHLLOKOSA-N 0 3 317.414 3.026 20 30 DGEDHN C#CCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000759431608 621858310 /nfs/dbraw/zinc/85/83/10/621858310.db2.gz LYONRHXDOIPKRB-INIZCTEOSA-N 0 3 310.397 3.262 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=CSCc2ccco2)nc(C)n1 ZINC000759821007 621893454 /nfs/dbraw/zinc/89/34/54/621893454.db2.gz GCAWEASSDBGUMY-VSKVDJIOSA-N 0 3 313.382 3.310 20 30 DGEDHN CCOC(=O)CC[C@H](C)/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000760227937 621922802 /nfs/dbraw/zinc/92/28/02/621922802.db2.gz CCUPTWWFIYELJU-QIQQCEGHSA-N 0 3 320.433 3.389 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN[C@@H](CCCO)c1ccccc1 ZINC000865472422 621929081 /nfs/dbraw/zinc/92/90/81/621929081.db2.gz ASIQKFGIWBTEIW-IBGZPJMESA-N 0 3 323.440 3.228 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1-n1cccc1 ZINC000760338587 621933336 /nfs/dbraw/zinc/93/33/36/621933336.db2.gz FDQLOSWJZYPDND-OAHLLOKOSA-N 0 3 302.337 3.066 20 30 DGEDHN N#CCc1ccccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000761095250 621986077 /nfs/dbraw/zinc/98/60/77/621986077.db2.gz YEMOZWWNOWPAPD-OAHLLOKOSA-N 0 3 315.332 3.313 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1nc3c(s1)CCCC3)C2 ZINC000865848049 622007427 /nfs/dbraw/zinc/00/74/27/622007427.db2.gz KMWVLTXIAJTAHU-HNNXBMFYSA-N 0 3 309.438 3.151 20 30 DGEDHN CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259548 622077788 /nfs/dbraw/zinc/07/77/88/622077788.db2.gz CIURZOLSWIOAIW-LSDHHAIUSA-N 0 3 301.434 3.035 20 30 DGEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nc2ccccc2n1C ZINC000866618229 622148499 /nfs/dbraw/zinc/14/84/99/622148499.db2.gz XFUOSCNCHFXCPU-SUMWQHHRSA-N 0 3 316.408 3.263 20 30 DGEDHN C[C@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccc(C#N)cc1 ZINC000866641211 622152343 /nfs/dbraw/zinc/15/23/43/622152343.db2.gz OCYFODCJKNAVIP-ZDUSSCGKSA-N 0 3 307.397 3.388 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCC(=O)OC(C)C)c([O-])c1 ZINC000764887107 622229815 /nfs/dbraw/zinc/22/98/15/622229815.db2.gz FFNSPTBRRSSPEZ-CPNJWEJPSA-N 0 3 320.433 3.389 20 30 DGEDHN C[C@](O)(CNCc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000764983854 622237766 /nfs/dbraw/zinc/23/77/66/622237766.db2.gz PXAHBXOVCYTSSZ-KRWDZBQOSA-N 0 3 318.779 3.348 20 30 DGEDHN CCC#C[C@@H](C)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026265 622240480 /nfs/dbraw/zinc/24/04/80/622240480.db2.gz PZFKVGXKAZHVCP-QAPCUYQASA-N 0 3 306.450 3.121 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000765610462 622276528 /nfs/dbraw/zinc/27/65/28/622276528.db2.gz VHCGEKPSMSAXRN-OAHLLOKOSA-N 0 3 307.393 3.484 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913088 622293547 /nfs/dbraw/zinc/29/35/47/622293547.db2.gz RMJLHWQNUPIUAA-DQOPKJQZSA-N 0 3 316.364 3.464 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H](CO)c2ccccc2C)cc1 ZINC000766399133 622326615 /nfs/dbraw/zinc/32/66/15/622326615.db2.gz IZJRJKALNJOASN-OXJNMPFZSA-N 0 3 309.409 3.391 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cccc2ccccc21 ZINC000870145006 622437088 /nfs/dbraw/zinc/43/70/88/622437088.db2.gz ITXIHXKZHAAUFA-QGZVFWFLSA-N 0 3 308.381 3.006 20 30 DGEDHN CCCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000870162582 622437876 /nfs/dbraw/zinc/43/78/76/622437876.db2.gz JVUPXWDWYUVOOV-LBPRGKRZSA-N 0 3 313.382 3.057 20 30 DGEDHN CCOC(C)(C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000870379372 622463083 /nfs/dbraw/zinc/46/30/83/622463083.db2.gz RXXGNLKLFDRJFG-JTQLQIEISA-N 0 3 300.280 3.092 20 30 DGEDHN C#CCOc1ccccc1CN1CCC(c2ccccn2)CC1 ZINC000769103866 622498728 /nfs/dbraw/zinc/49/87/28/622498728.db2.gz BNTPSLWGEKCLTH-UHFFFAOYSA-N 0 3 306.409 3.473 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000769314356 622516479 /nfs/dbraw/zinc/51/64/79/622516479.db2.gz XNKBGLSCLUYTIG-SFHVURJKSA-N 0 3 309.413 3.122 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc3nccn32)c1 ZINC000769694019 622550409 /nfs/dbraw/zinc/55/04/09/622550409.db2.gz SUNFYQXDHHPOKU-QGZVFWFLSA-N 0 3 320.396 3.305 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc(Cl)n1 ZINC000123688080 622642690 /nfs/dbraw/zinc/64/26/90/622642690.db2.gz RNHHYEFTIVPZQV-NSHDSACASA-N 0 3 310.744 3.410 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCC[C@H]2CCOC2=O)c([O-])c1 ZINC000871597289 622645133 /nfs/dbraw/zinc/64/51/33/622645133.db2.gz NIQZSYBIADTEMZ-QIQQCEGHSA-N 0 3 318.417 3.001 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000770568823 622646316 /nfs/dbraw/zinc/64/63/16/622646316.db2.gz PEEGRIYNXGLSDB-MTNDFZQFSA-N 0 3 304.434 3.472 20 30 DGEDHN C=CCCC(C)(C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000771080603 622711823 /nfs/dbraw/zinc/71/18/23/622711823.db2.gz FKLLSBDGPLGUOC-OAHLLOKOSA-N 0 3 319.376 3.467 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC(F)(F)F ZINC000771259686 622734536 /nfs/dbraw/zinc/73/45/36/622734536.db2.gz XSALUYHHOMHVFR-JTQLQIEISA-N 0 3 309.291 3.482 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC(F)(F)F)c1 ZINC000771260425 622734702 /nfs/dbraw/zinc/73/47/02/622734702.db2.gz HPCOOLWNTOENTM-GFCCVEGCSA-N 0 3 312.291 3.375 20 30 DGEDHN C#Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000771504918 622769769 /nfs/dbraw/zinc/76/97/69/622769769.db2.gz NICFNEYBGKLMMD-HNAYVOBHSA-N 0 3 321.424 3.481 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075235 622791162 /nfs/dbraw/zinc/79/11/62/622791162.db2.gz AVIOOJWOERKSKI-GDLCADMTSA-N 0 3 308.403 3.311 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075511 622791329 /nfs/dbraw/zinc/79/13/29/622791329.db2.gz AZINFRLARNFZCS-VXGBXAGGSA-N 0 3 310.419 3.294 20 30 DGEDHN CSc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccn1 ZINC000771882064 622808768 /nfs/dbraw/zinc/80/87/68/622808768.db2.gz QFMQSVKBEYMMDJ-CYBMUJFWSA-N 0 3 313.426 3.384 20 30 DGEDHN CSCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000123996384 622857268 /nfs/dbraw/zinc/85/72/68/622857268.db2.gz MRJKOIWNJVAXBB-CQSZACIVSA-N 0 3 304.415 3.176 20 30 DGEDHN C=CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000772381265 622892082 /nfs/dbraw/zinc/89/20/82/622892082.db2.gz IXGKCETZVYQWID-ZDUSSCGKSA-N 0 3 311.410 3.123 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000129383658 625605053 /nfs/dbraw/zinc/60/50/53/625605053.db2.gz JCTGZIUURBQPLK-MELADBBJSA-N 0 3 318.442 3.175 20 30 DGEDHN C=CCCO[C@H](C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772689744 622928384 /nfs/dbraw/zinc/92/83/84/622928384.db2.gz FWAZSEYLPQQCJP-OAHLLOKOSA-N 0 3 321.417 3.016 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000772920184 622954044 /nfs/dbraw/zinc/95/40/44/622954044.db2.gz DRFCOYLRILSMQL-APPDUMDISA-N 0 3 302.324 3.048 20 30 DGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@@H]4CSC[C@@H]4C3)n2)cc1 ZINC000872723075 622960833 /nfs/dbraw/zinc/96/08/33/622960833.db2.gz XOXAVFOTLRJHII-SJORKVTESA-N 0 3 324.453 3.064 20 30 DGEDHN C#CCSCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000773011893 622966232 /nfs/dbraw/zinc/96/62/32/622966232.db2.gz YRBRPAYINLGTPU-AWEZNQCLSA-N 0 3 317.376 3.349 20 30 DGEDHN CC(C)(C)[C@H](C#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805914697 625610049 /nfs/dbraw/zinc/61/00/49/625610049.db2.gz QRLIMACFIDNDJA-KRWDZBQOSA-N 0 3 314.429 3.380 20 30 DGEDHN C=CCc1cc(OCC)cc(CN2CCC(C(C)=O)CC2)c1O ZINC000872800087 622981269 /nfs/dbraw/zinc/98/12/69/622981269.db2.gz RSJUELKJQBUEGB-UHFFFAOYSA-N 0 3 317.429 3.320 20 30 DGEDHN CN(CCO)c1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1 ZINC000773123105 622988118 /nfs/dbraw/zinc/98/81/18/622988118.db2.gz DQBIGVBTTVBXMY-QGZVFWFLSA-N 0 3 303.450 3.007 20 30 DGEDHN CC1(C)CCCC[C@H]1NN=Cc1ccc(N2CCOCC2)cc1 ZINC000773124474 622988251 /nfs/dbraw/zinc/98/82/51/622988251.db2.gz JQZISVMRRZXEHN-GOSISDBHSA-N 0 3 315.461 3.416 20 30 DGEDHN C=CCCC[C@@H](C)NCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873100714 623036600 /nfs/dbraw/zinc/03/66/00/623036600.db2.gz CAXJASIYSZNDTN-OAHLLOKOSA-N 0 3 314.433 3.169 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000773975445 623094951 /nfs/dbraw/zinc/09/49/51/623094951.db2.gz KTQHLSIDGWEMSA-WFASDCNBSA-N 0 3 316.401 3.415 20 30 DGEDHN Cc1csc(CCC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000774051806 623102726 /nfs/dbraw/zinc/10/27/26/623102726.db2.gz FFACOQQVSNYRMN-NSHDSACASA-N 0 3 311.366 3.402 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480713 623151479 /nfs/dbraw/zinc/15/14/79/623151479.db2.gz CGHMRVNJFQZCLA-HOTGVXAUSA-N 0 3 317.477 3.216 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCOCC[C@H]1C ZINC000774658941 623172714 /nfs/dbraw/zinc/17/27/14/623172714.db2.gz DITVIJBNYZNJLR-CQSZACIVSA-N 0 3 317.458 3.383 20 30 DGEDHN C#CCNC(=O)CN[C@H](CCC(C)C)c1ccc(Cl)cc1 ZINC000775146344 623235733 /nfs/dbraw/zinc/23/57/33/623235733.db2.gz NVXHUUJKMLAROQ-MRXNPFEDSA-N 0 3 306.837 3.156 20 30 DGEDHN C#C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC000775342464 623257321 /nfs/dbraw/zinc/25/73/21/623257321.db2.gz RQDPPJQXEDMXTQ-UYAOXDASSA-N 0 3 307.393 3.330 20 30 DGEDHN N#CCCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000775376148 623262030 /nfs/dbraw/zinc/26/20/30/623262030.db2.gz OVGMXNPAVIKQGM-QGZVFWFLSA-N 0 3 319.836 3.191 20 30 DGEDHN CC[C@@](C)(NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000775387341 623264536 /nfs/dbraw/zinc/26/45/36/623264536.db2.gz LKEILCXIPNTNKO-LJQANCHMSA-N 0 3 307.397 3.412 20 30 DGEDHN N#CCC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775550636 623288728 /nfs/dbraw/zinc/28/87/28/623288728.db2.gz JNVMOWUEAZPJSG-RTBURBONSA-N 0 3 305.381 3.226 20 30 DGEDHN C=CCN(C[C@@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000775653605 623304551 /nfs/dbraw/zinc/30/45/51/623304551.db2.gz WDZUUEHUTIOJLX-CQSZACIVSA-N 0 3 314.198 3.272 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000874834618 623365204 /nfs/dbraw/zinc/36/52/04/623365204.db2.gz UGEYTGACLBUBRZ-IPMKNSEASA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874833389 623365988 /nfs/dbraw/zinc/36/59/88/623365988.db2.gz LCDQESYYUPKOHT-HOTGVXAUSA-N 0 3 316.470 3.273 20 30 DGEDHN Cc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776162831 623385977 /nfs/dbraw/zinc/38/59/77/623385977.db2.gz MPRJUAJECUXYEE-DNVCBOLYSA-N 0 3 310.397 3.282 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccccc1Br ZINC000776184951 623391938 /nfs/dbraw/zinc/39/19/38/623391938.db2.gz BSQFEEDXTXTXHO-UHFFFAOYSA-N 0 3 319.206 3.356 20 30 DGEDHN C=CC[C@@H](NCc1cnc2c(c1)c(C)nn2C)c1ccncc1 ZINC000776186555 623392560 /nfs/dbraw/zinc/39/25/60/623392560.db2.gz VSYDGTHMILQOBK-QGZVFWFLSA-N 0 3 307.401 3.079 20 30 DGEDHN C#CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000776252215 623401557 /nfs/dbraw/zinc/40/15/57/623401557.db2.gz KAEAIZPHWGEODQ-IRXDYDNUSA-N 0 3 314.429 3.350 20 30 DGEDHN CC(C)(C#N)CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000776387951 623422047 /nfs/dbraw/zinc/42/20/47/623422047.db2.gz VVOSIWVWKSMRIG-UHFFFAOYSA-N 0 3 314.429 3.382 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000875247014 623430888 /nfs/dbraw/zinc/43/08/88/623430888.db2.gz GVOPLLZAVLPQAD-HZPDHXFCSA-N 0 3 319.493 3.105 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000875247015 623431024 /nfs/dbraw/zinc/43/10/24/623431024.db2.gz GVOPLLZAVLPQAD-JKSUJKDBSA-N 0 3 319.493 3.105 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC1(O)CCCCC1 ZINC000778161708 623617906 /nfs/dbraw/zinc/61/79/06/623617906.db2.gz MYCNNULXCGWSHW-UHFFFAOYSA-N 0 3 307.821 3.137 20 30 DGEDHN C[C@H](CCC#N)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000876531912 623635314 /nfs/dbraw/zinc/63/53/14/623635314.db2.gz STGCVYBMMCPPKG-WBVHZDCISA-N 0 3 302.418 3.313 20 30 DGEDHN C[C@H](CCC#N)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000876531912 623635316 /nfs/dbraw/zinc/63/53/16/623635316.db2.gz STGCVYBMMCPPKG-WBVHZDCISA-N 0 3 302.418 3.313 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC000876548268 623640826 /nfs/dbraw/zinc/64/08/26/623640826.db2.gz ZWVJNIGUONPKFV-CQSZACIVSA-N 0 3 324.808 3.052 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000876556763 623643715 /nfs/dbraw/zinc/64/37/15/623643715.db2.gz SCIADCNRFVEQSG-LBPRGKRZSA-N 0 3 320.742 3.134 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000876561861 623644441 /nfs/dbraw/zinc/64/44/41/623644441.db2.gz MFXGKNCGTSNKSD-KBPBESRZSA-N 0 3 313.228 3.377 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000876577014 623649666 /nfs/dbraw/zinc/64/96/66/623649666.db2.gz UPSURGYLYJWGST-SNVBAGLBSA-N 0 3 306.715 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000876580180 623650543 /nfs/dbraw/zinc/65/05/43/623650543.db2.gz QLIKTGLPLZTWAV-SNVBAGLBSA-N 0 3 306.715 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000876591256 623653747 /nfs/dbraw/zinc/65/37/47/623653747.db2.gz JSMPASFIYPMEFZ-HZPDHXFCSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000876597757 623655916 /nfs/dbraw/zinc/65/59/16/623655916.db2.gz SCPLMWBDAJKZQD-NSHDSACASA-N 0 3 322.714 3.036 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000876622169 623662061 /nfs/dbraw/zinc/66/20/61/623662061.db2.gz CIKUXBUMTZCPLM-LBPRGKRZSA-N 0 3 321.635 3.122 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000876628154 623663987 /nfs/dbraw/zinc/66/39/87/623663987.db2.gz GTCDKAXLGMTTLM-GJZGRUSLSA-N 0 3 306.837 3.385 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccccc2C)CC1 ZINC000876647356 623669496 /nfs/dbraw/zinc/66/94/96/623669496.db2.gz JXTPCZJFEOMVFZ-INIZCTEOSA-N 0 3 306.837 3.171 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC000876646745 623669505 /nfs/dbraw/zinc/66/95/05/623669505.db2.gz YOTBNSNWIFRXHO-BXUZGUMPSA-N 0 3 312.866 3.446 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000876662813 623673966 /nfs/dbraw/zinc/67/39/66/623673966.db2.gz ZTAXKNSBRYNBCZ-ZIAGYGMSSA-N 0 3 314.763 3.098 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000876672675 623676985 /nfs/dbraw/zinc/67/69/85/623676985.db2.gz XNJULJVHZOHFQU-KBPBESRZSA-N 0 3 315.244 3.247 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000876673531 623677569 /nfs/dbraw/zinc/67/75/69/623677569.db2.gz OAOPRBPBSLRMRT-OLZOCXBDSA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000876673685 623677744 /nfs/dbraw/zinc/67/77/44/623677744.db2.gz PUWQCTSZFMOVFM-SNPRPXQTSA-N 0 3 324.877 3.162 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CC(F)(F)F ZINC000876678951 623679354 /nfs/dbraw/zinc/67/93/54/623679354.db2.gz UAXWZCJMRNTXGJ-SNVBAGLBSA-N 0 3 306.715 3.200 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000876693021 623683766 /nfs/dbraw/zinc/68/37/66/623683766.db2.gz NFRIHUSOXPAPSY-FUHWJXTLSA-N 0 3 320.864 3.328 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000876699021 623685974 /nfs/dbraw/zinc/68/59/74/623685974.db2.gz OKEJYQBOMLWVJY-XIRDDKMYSA-N 0 3 320.864 3.499 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000876711863 623688162 /nfs/dbraw/zinc/68/81/62/623688162.db2.gz HISASRQRNMUDRQ-GHMZBOCLSA-N 0 3 323.849 3.286 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000876715625 623689057 /nfs/dbraw/zinc/68/90/57/623689057.db2.gz NWLWLUAUNSGULE-CQSZACIVSA-N 0 3 307.825 3.004 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000876896252 623738861 /nfs/dbraw/zinc/73/88/61/623738861.db2.gz YQFLFWAIDHZGJQ-MRXNPFEDSA-N 0 3 320.864 3.339 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOc2c1cccc2C(C)(C)C ZINC000876906967 623741211 /nfs/dbraw/zinc/74/12/11/623741211.db2.gz LUUYBJIVYLPPOA-CYBMUJFWSA-N 0 3 322.836 3.179 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000876909005 623741902 /nfs/dbraw/zinc/74/19/02/623741902.db2.gz VPTDRCRSTGOAPY-GOEBONIOSA-N 0 3 306.837 3.089 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000876957200 623753818 /nfs/dbraw/zinc/75/38/18/623753818.db2.gz ULXNVTVAKJDKCI-LLVKDONJSA-N 0 3 307.608 3.080 20 30 DGEDHN C[C@H](Cc1ccc(O)cc1)NCc1cc(C#N)cnc1Cl ZINC000877019639 623767452 /nfs/dbraw/zinc/76/74/52/623767452.db2.gz OOQZNAKHHSSSNG-LLVKDONJSA-N 0 3 301.777 3.033 20 30 DGEDHN C=CC[C@H](C)NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877037270 623772157 /nfs/dbraw/zinc/77/21/57/623772157.db2.gz YZMMCYHWJBSOFM-LBPRGKRZSA-N 0 3 321.421 3.063 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000877053800 623777157 /nfs/dbraw/zinc/77/71/57/623777157.db2.gz BNZSZPODPLQXBA-HUUCEWRRSA-N 0 3 324.827 3.390 20 30 DGEDHN CC(C)[C@@H]1OCCC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877074138 623784113 /nfs/dbraw/zinc/78/41/13/623784113.db2.gz ZWYTZAFZYHWBRU-HIFRSBDPSA-N 0 3 307.825 3.147 20 30 DGEDHN CC/C(C)=C(\C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000779936518 623836092 /nfs/dbraw/zinc/83/60/92/623836092.db2.gz NVXQJYLJFYHILV-FOCLMDBBSA-N 0 3 313.445 3.195 20 30 DGEDHN C#CCCCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000779985523 623846267 /nfs/dbraw/zinc/84/62/67/623846267.db2.gz ANDHWCVKRAHSBU-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877321096 623851465 /nfs/dbraw/zinc/85/14/65/623851465.db2.gz DOCIXSPLJVPGME-QKPAOTATSA-N 0 3 321.465 3.304 20 30 DGEDHN CCN(C)c1ccc(C(C)=NN[C@@H]2CCOC(C)(C)C2)cc1 ZINC000780240655 623890746 /nfs/dbraw/zinc/89/07/46/623890746.db2.gz GAPYWFKFGHVXAW-MRXNPFEDSA-N 0 3 303.450 3.414 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](NCCC#N)CC[C@@H]21 ZINC000877484008 623905234 /nfs/dbraw/zinc/90/52/34/623905234.db2.gz SROJLMXXWHGHQH-KFWWJZLASA-N 0 3 307.438 3.058 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000780434729 623928651 /nfs/dbraw/zinc/92/86/51/623928651.db2.gz QVTUMYAGXMRNKJ-GOSISDBHSA-N 0 3 300.446 3.298 20 30 DGEDHN CCOC(=O)C(CC)(CC)CNCc1cc(C#N)cnc1Cl ZINC000877680762 623989209 /nfs/dbraw/zinc/98/92/09/623989209.db2.gz ZRBXMVMAXGWFLB-UHFFFAOYSA-N 0 3 323.824 3.066 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000877700498 623996546 /nfs/dbraw/zinc/99/65/46/623996546.db2.gz AZVOUWCESWHGRR-HUUCEWRRSA-N 0 3 305.809 3.044 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cn(C)nc1C(C)(C)C ZINC000877703677 623998560 /nfs/dbraw/zinc/99/85/60/623998560.db2.gz CZLQYYSRQRXVCK-UHFFFAOYSA-N 0 3 310.445 3.264 20 30 DGEDHN Cc1cccc2ncc(CN(C)CCc3cccc(C#N)c3)n21 ZINC000877703680 623998828 /nfs/dbraw/zinc/99/88/28/623998828.db2.gz DCGMRRPHEGYTDY-UHFFFAOYSA-N 0 3 304.397 3.189 20 30 DGEDHN C#CCCCCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000877917677 624092091 /nfs/dbraw/zinc/09/20/91/624092091.db2.gz BLRBKHAXNVYCJR-UHFFFAOYSA-N 0 3 316.420 3.167 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000878035801 624144060 /nfs/dbraw/zinc/14/40/60/624144060.db2.gz DVVDHAZKDZPLPI-CABCVRRESA-N 0 3 321.465 3.448 20 30 DGEDHN C#CCCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000878110574 624172377 /nfs/dbraw/zinc/17/23/77/624172377.db2.gz KWRATULHTOSVII-UHFFFAOYSA-N 0 3 305.853 3.046 20 30 DGEDHN C[C@@H](CC#N)N(C)CC(CN(C)[C@@H](C)CC#N)C1CCCC1 ZINC000878189352 624207135 /nfs/dbraw/zinc/20/71/35/624207135.db2.gz WWFGCJWLWNXSNY-HOTGVXAUSA-N 0 3 304.482 3.261 20 30 DGEDHN COC(=O)c1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000782237706 624225422 /nfs/dbraw/zinc/22/54/22/624225422.db2.gz HIEKWHRQSGETGE-SNVBAGLBSA-N 0 3 321.808 3.151 20 30 DGEDHN N#CCC[C@@H](NC[C@@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000878375286 624260531 /nfs/dbraw/zinc/26/05/31/624260531.db2.gz CVFIIKHZWNSUGP-ZWKOTPCHSA-N 0 3 316.445 3.067 20 30 DGEDHN C#CCCCCCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000878415823 624272676 /nfs/dbraw/zinc/27/26/76/624272676.db2.gz YLKVOKRHVVFRFV-HNNXBMFYSA-N 0 3 316.474 3.307 20 30 DGEDHN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CC1(CC#N)CC1 ZINC000878530575 624299402 /nfs/dbraw/zinc/29/94/02/624299402.db2.gz XJHJLWUFHOZJDG-CQSZACIVSA-N 0 3 313.401 3.330 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC3(CC#N)CC3)CC[C@@H]21 ZINC000878644461 624329265 /nfs/dbraw/zinc/32/92/65/624329265.db2.gz WHDJIWMDVKKRJL-CABCVRRESA-N 0 3 319.449 3.012 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCCS1 ZINC000783353215 624339712 /nfs/dbraw/zinc/33/97/12/624339712.db2.gz SCLBIFBIADULDV-GXFFZTMASA-N 0 3 322.817 3.273 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(CC)cc1)C(C)C ZINC000783531566 624362435 /nfs/dbraw/zinc/36/24/35/624362435.db2.gz JGCLCVSEPZSYAV-KRWDZBQOSA-N 0 3 309.475 3.137 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(CC)cc1)C(C)C ZINC000783531567 624362585 /nfs/dbraw/zinc/36/25/85/624362585.db2.gz JGCLCVSEPZSYAV-QGZVFWFLSA-N 0 3 309.475 3.137 20 30 DGEDHN C=C(Cl)CN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000878863343 624374657 /nfs/dbraw/zinc/37/46/57/624374657.db2.gz SPYNQKYBRDADRQ-UHFFFAOYSA-N 0 3 302.809 3.404 20 30 DGEDHN N#Cc1ccc(C2CCN(CCCOC(F)(F)F)CC2)nc1 ZINC000879023031 624410750 /nfs/dbraw/zinc/41/07/50/624410750.db2.gz GTVGTYYQVKODCD-UHFFFAOYSA-N 0 3 313.323 3.059 20 30 DGEDHN C#CCOCCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000784079008 624434016 /nfs/dbraw/zinc/43/40/16/624434016.db2.gz HGEFSSNZJDDIMZ-MRXNPFEDSA-N 0 3 322.408 3.239 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@H]2[C@H](O)c2ccccc2)c1F ZINC000879244859 624459872 /nfs/dbraw/zinc/45/98/72/624459872.db2.gz UBFWLRCHVYSFME-PKOBYXMFSA-N 0 3 310.372 3.395 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)c1F ZINC000879244857 624460210 /nfs/dbraw/zinc/46/02/10/624460210.db2.gz UBFWLRCHVYSFME-IEBWSBKVSA-N 0 3 310.372 3.395 20 30 DGEDHN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@H]1C#N ZINC000879307748 624492563 /nfs/dbraw/zinc/49/25/63/624492563.db2.gz CLAYVJKQZJNBNT-HOTGVXAUSA-N 0 3 321.465 3.258 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879560163 624590045 /nfs/dbraw/zinc/59/00/45/624590045.db2.gz RMUQBIVHKKHIPQ-TZMCWYRMSA-N 0 3 322.861 3.427 20 30 DGEDHN C=C(C)CN1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879616532 624607709 /nfs/dbraw/zinc/60/77/09/624607709.db2.gz WWOYDLVFIPHGSD-UHFFFAOYSA-N 0 3 308.491 3.386 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879666723 624631750 /nfs/dbraw/zinc/63/17/50/624631750.db2.gz FXWNOBLUSTYOJG-MGPQQGTHSA-N 0 3 318.383 3.286 20 30 DGEDHN C[C@@H](CN(C)[C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000785445608 624667623 /nfs/dbraw/zinc/66/76/23/624667623.db2.gz SAAVPNOPSIHWHQ-KBPBESRZSA-N 0 3 317.433 3.464 20 30 DGEDHN CC(C)CC(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000879761605 624669332 /nfs/dbraw/zinc/66/93/32/624669332.db2.gz NBLJBCHCKWZJBX-UHFFFAOYSA-N 0 3 307.482 3.287 20 30 DGEDHN CC(C)(C#N)CCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785713746 624717234 /nfs/dbraw/zinc/71/72/34/624717234.db2.gz JVHYLGWBDCLIBZ-UHFFFAOYSA-N 0 3 300.402 3.379 20 30 DGEDHN CC(=O)Nc1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CC2 ZINC000880032629 624761439 /nfs/dbraw/zinc/76/14/39/624761439.db2.gz GTDCDAVQBDRLKX-UHFFFAOYSA-N 0 3 319.408 3.117 20 30 DGEDHN COc1ccccc1[C@H]1CSCCCN1CCO[C@H](C)C#N ZINC000880175607 624820785 /nfs/dbraw/zinc/82/07/85/624820785.db2.gz BKGGKBRIBIIDEQ-GDBMZVCRSA-N 0 3 320.458 3.104 20 30 DGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530818 624911500 /nfs/dbraw/zinc/91/15/00/624911500.db2.gz KFSWRSLISKZPMY-FZMZJTMJSA-N 0 3 306.793 3.101 20 30 DGEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786543791 624916693 /nfs/dbraw/zinc/91/66/93/624916693.db2.gz SVTDYPCEWCEPQO-MRXNPFEDSA-N 0 3 300.402 3.291 20 30 DGEDHN CCOC(=O)c1sc([C@H]2CCN([C@H](C)CCC#N)C2)nc1C ZINC000880324825 624919754 /nfs/dbraw/zinc/91/97/54/624919754.db2.gz NLWMLQYTYADBCK-YPMHNXCESA-N 0 3 321.446 3.110 20 30 DGEDHN C=C(CC)CN1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880324832 624919932 /nfs/dbraw/zinc/91/99/32/624919932.db2.gz NQUHKQVNKVCPAB-CYBMUJFWSA-N 0 3 308.447 3.384 20 30 DGEDHN C=CCCC[C@@H](NCC(=O)NCc1cccnc1)c1ccccc1 ZINC000880388224 624947563 /nfs/dbraw/zinc/94/75/63/624947563.db2.gz KGXUSZYRMZGKNK-LJQANCHMSA-N 0 3 323.440 3.385 20 30 DGEDHN C=CCCC[C@@H](NCC(=O)Nc1cnccn1)c1ccccc1 ZINC000880389198 624948650 /nfs/dbraw/zinc/94/86/50/624948650.db2.gz DZHNCFJLWGOXEE-MRXNPFEDSA-N 0 3 310.401 3.102 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1CC(F)(F)C1)c1ccccc1 ZINC000787046144 624973961 /nfs/dbraw/zinc/97/39/61/624973961.db2.gz NQZQHYXDYVRAAA-UONOGXRCSA-N 0 3 320.339 3.008 20 30 DGEDHN CCC[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787080496 624977137 /nfs/dbraw/zinc/97/71/37/624977137.db2.gz VDWCWLZTVZWKDQ-ZBFHGGJFSA-N 0 3 300.402 3.180 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cncc(C(F)F)c2)CC1 ZINC000880915556 625125760 /nfs/dbraw/zinc/12/57/60/625125760.db2.gz RAXOMFVBPQHSPG-UHFFFAOYSA-N 0 3 324.375 3.181 20 30 DGEDHN OC[C@H](NN=C1CCCC[C@@H]1N1CCCCC1)c1ccccc1 ZINC000788459331 625182459 /nfs/dbraw/zinc/18/24/59/625182459.db2.gz FTPWCOZNHUVXJA-OALUTQOASA-N 0 3 315.461 3.094 20 30 DGEDHN CCC(=NN[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000788460783 625184733 /nfs/dbraw/zinc/18/47/33/625184733.db2.gz OERJUJMOTPRUBX-LJQANCHMSA-N 0 3 311.429 3.190 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(OCC(N)=O)cc1 ZINC000791567160 625826970 /nfs/dbraw/zinc/82/69/70/625826970.db2.gz HDQIQIRIBAHKDZ-UHFFFAOYSA-N 0 3 324.424 3.129 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(O[C@@H](C)COC)cc2)cc1 ZINC000883132480 625938195 /nfs/dbraw/zinc/93/81/95/625938195.db2.gz SKINJYKMUILAEY-INIZCTEOSA-N 0 3 309.409 3.371 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000796642183 626069371 /nfs/dbraw/zinc/06/93/71/626069371.db2.gz YTXLRJANCNVTIZ-UHFFFAOYSA-N 0 3 322.408 3.159 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796677512 626072658 /nfs/dbraw/zinc/07/26/58/626072658.db2.gz FESVZYKEFCSNOV-INIZCTEOSA-N 0 3 321.465 3.450 20 30 DGEDHN C[C@H](C#N)OCCN[C@H](C)c1ccc(Br)cc1F ZINC000796690948 626073606 /nfs/dbraw/zinc/07/36/06/626073606.db2.gz BQQGVFZVSAWXGO-NXEZZACHSA-N 0 3 315.186 3.167 20 30 DGEDHN C=CCC[C@H](NC[C@@H](O)COc1cccc(F)c1)c1ccco1 ZINC000796701959 626074689 /nfs/dbraw/zinc/07/46/89/626074689.db2.gz JTSXJMQNFVAQHW-WBVHZDCISA-N 0 3 319.376 3.456 20 30 DGEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccncc1 ZINC000796772413 626080898 /nfs/dbraw/zinc/08/08/98/626080898.db2.gz RTEHIJJWOVXJFJ-CJNGLKHVSA-N 0 3 323.396 3.381 20 30 DGEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccncc1 ZINC000796772414 626081070 /nfs/dbraw/zinc/08/10/70/626081070.db2.gz RTEHIJJWOVXJFJ-CZUORRHYSA-N 0 3 323.396 3.381 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1occc1Br ZINC000797878116 626176448 /nfs/dbraw/zinc/17/64/48/626176448.db2.gz MTFOGUZENMIQTQ-ZWNOBZJWSA-N 0 3 300.196 3.113 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000797997217 626188261 /nfs/dbraw/zinc/18/82/61/626188261.db2.gz RLZHVUFLYKCNAW-QGZVFWFLSA-N 0 3 321.486 3.281 20 30 DGEDHN CC(C)(C)CCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000103638264 626295160 /nfs/dbraw/zinc/29/51/60/626295160.db2.gz VNLIIHAEXNFQJA-OAHLLOKOSA-N 0 3 300.402 3.228 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000800410602 626357615 /nfs/dbraw/zinc/35/76/15/626357615.db2.gz XVDJLTQXXHBSLE-ZBFHGGJFSA-N 0 3 300.402 3.146 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](O)c1cc(C)cc(C)c1 ZINC000800897066 626383606 /nfs/dbraw/zinc/38/36/06/626383606.db2.gz DOUBBZKWZMFFIQ-IBGZPJMESA-N 0 3 309.409 3.139 20 30 DGEDHN N#Cc1ccc(N2CCN(CCCCc3ccccc3)CC2)cn1 ZINC000801552259 626409599 /nfs/dbraw/zinc/40/95/99/626409599.db2.gz FOZFTQGBQQWGLJ-UHFFFAOYSA-N 0 3 320.440 3.098 20 30 DGEDHN C[C@H](C#N)OCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000801919706 626425836 /nfs/dbraw/zinc/42/58/36/626425836.db2.gz IGEIBZZRQBGFRK-DYVFJYSZSA-N 0 3 322.836 3.014 20 30 DGEDHN COc1ccc(CN(CCO[C@H](C)C#N)C(C)(C)C)c(OC)c1 ZINC000801929805 626426239 /nfs/dbraw/zinc/42/62/39/626426239.db2.gz ZGTNWMCSLCBMLG-CQSZACIVSA-N 0 3 320.433 3.233 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000801929631 626426255 /nfs/dbraw/zinc/42/62/55/626426255.db2.gz RBRSEVOUCIKDHK-KBPBESRZSA-N 0 3 319.474 3.130 20 30 DGEDHN CCOc1cccc2cc([C@@H](C)NCCO[C@H](C)C#N)oc21 ZINC000801939611 626427007 /nfs/dbraw/zinc/42/70/07/626427007.db2.gz TYMZZPVDYCBNRG-CHWSQXEVSA-N 0 3 302.374 3.411 20 30 DGEDHN C=CCCC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000883202440 626606871 /nfs/dbraw/zinc/60/68/71/626606871.db2.gz BIWPPHROUOLJAU-DOTOQJQBSA-N 0 3 309.475 3.497 20 30 DGEDHN C=CCC[C@H](NCc1nc2cc(F)ccc2n1C)[C@@H]1CCCO1 ZINC000883204410 626607328 /nfs/dbraw/zinc/60/73/28/626607328.db2.gz ZUALGZHPUFLLHG-YOEHRIQHSA-N 0 3 317.408 3.316 20 30 DGEDHN C=CCC[C@@H](NCc1cc(C)ncn1)[C@H]1Cc2ccccc2O1 ZINC000883208314 626609219 /nfs/dbraw/zinc/60/92/19/626609219.db2.gz CYDPTJKCAGAAAL-IEBWSBKVSA-N 0 3 309.413 3.213 20 30 DGEDHN C=CCC[C@H](NCc1cc(C)ncn1)[C@@H]1Cc2ccccc2O1 ZINC000883208313 626609277 /nfs/dbraw/zinc/60/92/77/626609277.db2.gz CYDPTJKCAGAAAL-HKUYNNGSSA-N 0 3 309.413 3.213 20 30 DGEDHN CC[C@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(C#N)cc1 ZINC000883361731 626661559 /nfs/dbraw/zinc/66/15/59/626661559.db2.gz KAOJTRDQBMQUQL-NWDGAFQWSA-N 0 3 322.277 3.157 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000883390172 626670741 /nfs/dbraw/zinc/67/07/41/626670741.db2.gz HJAJWZRWLXKFBZ-CMPLNLGQSA-N 0 3 303.324 3.405 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000883390267 626670962 /nfs/dbraw/zinc/67/09/62/626670962.db2.gz IRJKCULOQKVZTB-LSDHHAIUSA-N 0 3 317.351 3.310 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000883391333 626671440 /nfs/dbraw/zinc/67/14/40/626671440.db2.gz IGEAHQCFJXVQAW-KGLIPLIRSA-N 0 3 321.417 3.059 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000883400985 626673708 /nfs/dbraw/zinc/67/37/08/626673708.db2.gz ZFCBYNKHDHVFOX-QGZVFWFLSA-N 0 3 300.377 3.304 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1CCC)c1ccc(Cl)cc1F ZINC000804421454 626678367 /nfs/dbraw/zinc/67/83/67/626678367.db2.gz XTVFEMXCIDDXTG-HOTGVXAUSA-N 0 3 322.811 3.144 20 30 DGEDHN C=CCc1cc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c([O-])c(OC)c1 ZINC000840124011 626776713 /nfs/dbraw/zinc/77/67/13/626776713.db2.gz JCAMROXXKFKXSE-QGZVFWFLSA-N 0 3 319.445 3.376 20 30 DGEDHN C=CCc1cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c([O-])c(OC)c1 ZINC000840124011 626776715 /nfs/dbraw/zinc/77/67/15/626776715.db2.gz JCAMROXXKFKXSE-QGZVFWFLSA-N 0 3 319.445 3.376 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1COc2ccccc2[C@@H]1O ZINC000808729509 626855113 /nfs/dbraw/zinc/85/51/13/626855113.db2.gz LBIFQDXXMMZYII-BJLQDIEVSA-N 0 3 320.392 3.020 20 30 DGEDHN C#Cc1ccc(CN(CCC(=O)OC)Cc2ccccc2)cc1 ZINC000809547196 626918111 /nfs/dbraw/zinc/91/81/11/626918111.db2.gz JUJGKBBLGHQRMK-UHFFFAOYSA-N 0 3 307.393 3.233 20 30 DGEDHN COc1ccc([C@H](C)[C@H](C)NCc2nc(C#N)cs2)cc1 ZINC000810147327 626981059 /nfs/dbraw/zinc/98/10/59/626981059.db2.gz JHTNRXPQRQUMSM-NEPJUHHUSA-N 0 3 301.415 3.305 20 30 DGEDHN C#Cc1ccccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000810535195 627012941 /nfs/dbraw/zinc/01/29/41/627012941.db2.gz GTWQYJUCWSKSRW-OAHLLOKOSA-N 0 3 300.317 3.228 20 30 DGEDHN C#Cc1ccccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000810535182 627013010 /nfs/dbraw/zinc/01/30/10/627013010.db2.gz GTWQYJUCWSKSRW-HNNXBMFYSA-N 0 3 300.317 3.228 20 30 DGEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000810567330 627017839 /nfs/dbraw/zinc/01/78/39/627017839.db2.gz ZMXCBWOTDADRSI-MRXNPFEDSA-N 0 3 323.799 3.363 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@H]3CCCN3C(C)C)cc21 ZINC000885571674 627026596 /nfs/dbraw/zinc/02/65/96/627026596.db2.gz XLQMESFCZIYNIL-MRXNPFEDSA-N 0 3 312.417 3.034 20 30 DGEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000886353728 627141396 /nfs/dbraw/zinc/14/13/96/627141396.db2.gz OEMPBGVNWLDWOV-KBPBESRZSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CCC1(NCc2ccsc2Br)CCOCC1 ZINC000886378851 627144893 /nfs/dbraw/zinc/14/48/93/627144893.db2.gz DEKHQRFBAITAMU-UHFFFAOYSA-N 0 3 314.248 3.173 20 30 DGEDHN N#Cc1ccccc1CSCCN[C@@H]1CCc2cccnc21 ZINC000886514272 627155773 /nfs/dbraw/zinc/15/57/73/627155773.db2.gz LSJZCZBVTNMARN-QGZVFWFLSA-N 0 3 309.438 3.464 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1CCN(C)CC1 ZINC000886573305 627166018 /nfs/dbraw/zinc/16/60/18/627166018.db2.gz DOSNXNMIHDNVHP-IYARVYRRSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C(=O)c1coc2cc(C)c(C)cc21)C1CCN(C)CC1 ZINC000886578821 627166563 /nfs/dbraw/zinc/16/65/63/627166563.db2.gz MSVACBOTXGOUSK-UHFFFAOYSA-N 0 3 324.424 3.219 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)c1ccc(Cl)s1)C1CCN(C)CC1 ZINC000886580043 627167099 /nfs/dbraw/zinc/16/70/99/627167099.db2.gz SQUDDLRBQRBMMK-LBPRGKRZSA-N 0 3 324.877 3.061 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCN(C)CC1 ZINC000886579747 627167119 /nfs/dbraw/zinc/16/71/19/627167119.db2.gz HAPPMDZBJDGKSX-KZNAEPCWSA-N 0 3 316.489 3.149 20 30 DGEDHN Cc1nc(C2CCN(Cc3ccc(C#N)cc3F)CC2)[nH]c1C ZINC000886671933 627185655 /nfs/dbraw/zinc/18/56/55/627185655.db2.gz GLOAXDATMXKBQS-UHFFFAOYSA-N 0 3 312.392 3.417 20 30 DGEDHN C[C@H](NC[C@@H](O)Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000886675106 627186970 /nfs/dbraw/zinc/18/69/70/627186970.db2.gz XAACKEDKULAEDV-WFASDCNBSA-N 0 3 316.351 3.091 20 30 DGEDHN CC(C)(NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886896218 627212655 /nfs/dbraw/zinc/21/26/55/627212655.db2.gz BQNJWFOFQJFKCX-CYBMUJFWSA-N 0 3 308.372 3.234 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1CCC)c1ccc(Cl)cc1 ZINC000811947692 627339901 /nfs/dbraw/zinc/33/99/01/627339901.db2.gz MJVNIKGRWREVQX-CVEARBPZSA-N 0 3 304.821 3.005 20 30 DGEDHN C=CC(C)(C)CC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000887900929 627340217 /nfs/dbraw/zinc/34/02/17/627340217.db2.gz YQMUQJUKDYURPM-UHFFFAOYSA-N 0 3 304.434 3.305 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C[C@@H]2CCC[C@@H](C)C2)OC)CC1 ZINC000812032550 627348561 /nfs/dbraw/zinc/34/85/61/627348561.db2.gz NINJHNDKRFWWLG-HZPDHXFCSA-N 0 3 323.481 3.036 20 30 DGEDHN C[C@@H]1C[C@H](C)[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813215305 627468180 /nfs/dbraw/zinc/46/81/80/627468180.db2.gz WMXODYFYDYQACM-SAOAKYDJSA-N 0 3 312.291 3.090 20 30 DGEDHN CC1(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCC1 ZINC000813214601 627468333 /nfs/dbraw/zinc/46/83/33/627468333.db2.gz AJIXHXVCRLOCPZ-NSHDSACASA-N 0 3 312.291 3.236 20 30 DGEDHN CCCCCCN(C)CC(=O)N[C@H](C#N)c1ccc(CC)cc1 ZINC000813675901 627507184 /nfs/dbraw/zinc/50/71/84/627507184.db2.gz BZMVUXMXYNEBQW-GOSISDBHSA-N 0 3 315.461 3.442 20 30 DGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657220 627582314 /nfs/dbraw/zinc/58/23/14/627582314.db2.gz NOZKVSPAKBIIDE-CABCVRRESA-N 0 3 300.402 3.486 20 30 DGEDHN O=[N+]([O-])c1cc(NNC2=C[C@H](C(F)(F)F)OCC2)ccc1F ZINC000814905558 627605758 /nfs/dbraw/zinc/60/57/58/627605758.db2.gz YZOLZLNFAPHKMP-LLVKDONJSA-N 0 3 321.230 3.243 20 30 DGEDHN C#CCNC(=O)CCN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000815033167 627618294 /nfs/dbraw/zinc/61/82/94/627618294.db2.gz ASZYMWYSLPZARR-ZDUSSCGKSA-N 0 3 304.821 3.005 20 30 DGEDHN C#CCNC(=O)CCN[C@H](C)c1ccccc1Oc1ccccc1 ZINC000815083450 627624473 /nfs/dbraw/zinc/62/44/73/627624473.db2.gz ZHKUHXNNUCCOJX-MRXNPFEDSA-N 0 3 322.408 3.269 20 30 DGEDHN COc1cc(OC)c(OC)cc1CN[C@H](C)CC(C)(C)C#N ZINC000924563078 627649488 /nfs/dbraw/zinc/64/94/88/627649488.db2.gz DWFDRCSPLLJEQR-GFCCVEGCSA-N 0 3 306.406 3.130 20 30 DGEDHN CC(C)C[C@H](N[C@H](C)CC(C)(C)C#N)C(=O)Nc1nccs1 ZINC000925679336 627775299 /nfs/dbraw/zinc/77/52/99/627775299.db2.gz BWSVSRVNAKQGOJ-OLZOCXBDSA-N 0 3 322.478 3.414 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@]1(C(F)(F)F)CCCN1 ZINC000925859098 627807025 /nfs/dbraw/zinc/80/70/25/627807025.db2.gz ZBXRKMPNFHFXNA-HZPDHXFCSA-N 0 3 323.362 3.210 20 30 DGEDHN C=C1CCC(CNC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000926184410 627856849 /nfs/dbraw/zinc/85/68/49/627856849.db2.gz SBFZQPZDAUEERZ-UHFFFAOYSA-N 0 3 315.417 3.037 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(Br)n1 ZINC000926530240 627909328 /nfs/dbraw/zinc/90/93/28/627909328.db2.gz FLKSTNCBEXRFFC-RTXFEEFZSA-N 0 3 311.223 3.228 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000926541980 627911500 /nfs/dbraw/zinc/91/15/00/627911500.db2.gz UVXCQKCOFQFWAA-ILXRZTDVSA-N 0 3 313.445 3.271 20 30 DGEDHN CC(C)[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000927070150 628007690 /nfs/dbraw/zinc/00/76/90/628007690.db2.gz OFPIUNXDOPPTHV-RDTXWAMCSA-N 0 3 312.417 3.370 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000818991658 628074906 /nfs/dbraw/zinc/07/49/06/628074906.db2.gz HJTHYZCJMGOJGN-DRZPYTGRSA-N 0 3 302.418 3.248 20 30 DGEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000928400450 628148454 /nfs/dbraw/zinc/14/84/54/628148454.db2.gz CAYKWUVEXHBDQA-GOSISDBHSA-N 0 3 317.408 3.294 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819745563 628185032 /nfs/dbraw/zinc/18/50/32/628185032.db2.gz KAMGZUHHIYSRPQ-UHFFFAOYSA-N 0 3 323.375 3.194 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819745563 628185035 /nfs/dbraw/zinc/18/50/35/628185035.db2.gz KAMGZUHHIYSRPQ-UHFFFAOYSA-N 0 3 323.375 3.194 20 30 DGEDHN N#Cc1ccc(OCCN[C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000820823863 628301364 /nfs/dbraw/zinc/30/13/64/628301364.db2.gz PTXTWEWVNHATNW-HNNXBMFYSA-N 0 3 313.788 3.263 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000823126268 628529130 /nfs/dbraw/zinc/52/91/30/628529130.db2.gz WLBIZSYBHJZMDW-HKUYNNGSSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823926040 628610203 /nfs/dbraw/zinc/61/02/03/628610203.db2.gz WWRDYJJZCFCTLV-ZDUSSCGKSA-N 0 3 305.385 3.370 20 30 DGEDHN C#C[C@H](C)N(C)Cc1ccnc2c(Br)cccc12 ZINC000824297132 628648370 /nfs/dbraw/zinc/64/83/70/628648370.db2.gz PZOFOKJQFDEPNQ-NSHDSACASA-N 0 3 303.203 3.451 20 30 DGEDHN O=C(C#Cc1cccs1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000824615686 628677834 /nfs/dbraw/zinc/67/78/34/628677834.db2.gz KNQSEPWIWYGVCG-SFHVURJKSA-N 0 3 324.449 3.053 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000824696721 628684432 /nfs/dbraw/zinc/68/44/32/628684432.db2.gz QQVLHDATIMXKPS-KXBFYZLASA-N 0 3 310.397 3.143 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(COCCOC)cc2)c1 ZINC000825227742 628739531 /nfs/dbraw/zinc/73/95/31/628739531.db2.gz ZMABUEVFXNDDPU-UHFFFAOYSA-N 0 3 309.409 3.121 20 30 DGEDHN C#C[C@H](N[C@H](C)CC(C)(C)CC(=O)OC)c1ccc(F)cc1 ZINC000825955359 628814895 /nfs/dbraw/zinc/81/48/95/628814895.db2.gz LDYJDOYLROIYRK-CJNGLKHVSA-N 0 3 305.393 3.458 20 30 DGEDHN C=CCOCCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000827237544 628940127 /nfs/dbraw/zinc/94/01/27/628940127.db2.gz UJEWNUVZZGYIJK-UHFFFAOYSA-N 0 3 314.223 3.145 20 30 DGEDHN C[C@@H]1C[C@H](CN2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000827650044 628979912 /nfs/dbraw/zinc/97/99/12/628979912.db2.gz MPTGRDLUHTWVOR-IIDMSEBBSA-N 0 3 321.465 3.258 20 30 DGEDHN N#Cc1ccc(N2CCN(CC/C=C/c3ccccc3)CC2)cn1 ZINC000829327179 629150037 /nfs/dbraw/zinc/15/00/37/629150037.db2.gz GNDWPDTYWOXYOC-XBXARRHUSA-N 0 3 318.424 3.179 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000829773483 629190406 /nfs/dbraw/zinc/19/04/06/629190406.db2.gz FHRNHAIHVPAGBM-LSDHHAIUSA-N 0 3 318.848 3.080 20 30 DGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000829800419 629194647 /nfs/dbraw/zinc/19/46/47/629194647.db2.gz XYYJXMHCLOKFDF-CVEARBPZSA-N 0 3 321.424 3.297 20 30 DGEDHN C[C@@H]1[C@H](C)N(CCCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830190253 629236442 /nfs/dbraw/zinc/23/64/42/629236442.db2.gz VQUPVBCPYAWTBZ-SOUVJXGZSA-N 0 3 309.454 3.398 20 30 DGEDHN C=C(CC)CN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834904463 629804708 /nfs/dbraw/zinc/80/47/08/629804708.db2.gz YNGMFJQRTJQLOZ-NSHDSACASA-N 0 3 303.374 3.300 20 30 DGEDHN C#CC[C@@H](OC(=O)c1cccc(CN(C)C)c1)c1ccccn1 ZINC000835131782 629860518 /nfs/dbraw/zinc/86/05/18/629860518.db2.gz GIKZYDBUJOVNQY-GOSISDBHSA-N 0 3 308.381 3.065 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000835144160 629863401 /nfs/dbraw/zinc/86/34/01/629863401.db2.gz BQALEHMHTWVDPD-WZRBSPASSA-N 0 3 316.357 3.203 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835342214 629910618 /nfs/dbraw/zinc/91/06/18/629910618.db2.gz ZRIKNFIKNKAYCD-IKGGRYGDSA-N 0 3 312.413 3.180 20 30 DGEDHN CN(C)Cc1cccc(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)c1 ZINC000836153598 630075645 /nfs/dbraw/zinc/07/56/45/630075645.db2.gz GXZBUDSWYSUJBS-MAEOIBBWSA-N 0 3 300.402 3.377 20 30 DGEDHN CN(CCOC(=O)CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000837400044 630252766 /nfs/dbraw/zinc/25/27/66/630252766.db2.gz MUQQWISFANVMOR-UHFFFAOYSA-N 0 3 322.408 3.166 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000840953422 630383510 /nfs/dbraw/zinc/38/35/10/630383510.db2.gz PVYHBBUHXRXRGE-HNNXBMFYSA-N 0 3 322.412 3.147 20 30 DGEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284341 630510974 /nfs/dbraw/zinc/51/09/74/630510974.db2.gz IMARELGYNJPCJL-GOEBONIOSA-N 0 3 301.390 3.008 20 30 DGEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842288854 630511435 /nfs/dbraw/zinc/51/14/35/630511435.db2.gz MCSKYNIMVXHDFT-HOCLYGCPSA-N 0 3 316.401 3.319 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@]2(CC2(F)F)C1 ZINC000844436943 630729443 /nfs/dbraw/zinc/72/94/43/630729443.db2.gz JGZKEBYDJRLHKL-MRXNPFEDSA-N 0 3 322.355 3.067 20 30 DGEDHN CC[C@H]1COC(C)(C)CN1Cc1ccc(N(C)CCC#N)cc1 ZINC000846026718 631206786 /nfs/dbraw/zinc/20/67/86/631206786.db2.gz GNWYFDIGPUKECM-KRWDZBQOSA-N 0 3 315.461 3.426 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC000847622396 631498395 /nfs/dbraw/zinc/49/83/95/631498395.db2.gz JOUAXWWHMHQFLN-MRXNPFEDSA-N 0 3 318.392 3.164 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000848396136 631653926 /nfs/dbraw/zinc/65/39/26/631653926.db2.gz LIQFOEROFQRLHE-QGZVFWFLSA-N 0 3 305.466 3.217 20 30 DGEDHN COc1ccc(N=NC2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000848406289 631655781 /nfs/dbraw/zinc/65/57/81/631655781.db2.gz DMZQRJFSUYVZTE-HNNXBMFYSA-N 0 3 318.377 3.020 20 30 DGEDHN N#Cc1cc(Cl)nc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848406481 631655813 /nfs/dbraw/zinc/65/58/13/631655813.db2.gz FAGHMBIGWIHGAY-ZDUSSCGKSA-N 0 3 303.797 3.023 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000848407051 631655827 /nfs/dbraw/zinc/65/58/27/631655827.db2.gz KUDDDIPIUJQIDM-QGZVFWFLSA-N 0 3 314.433 3.027 20 30 DGEDHN C#CCOc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848552603 631689477 /nfs/dbraw/zinc/68/94/77/631689477.db2.gz DSXLAJGEKZSERD-GOSISDBHSA-N 0 3 322.364 3.384 20 30 DGEDHN COC(=O)Cc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000848573341 631698896 /nfs/dbraw/zinc/69/88/96/631698896.db2.gz UKRIBBFZTHTIBX-IBGZPJMESA-N 0 3 320.392 3.051 20 30 DGEDHN CCc1cccc(CN(CCOC)Cc2ccc(C#N)cc2)c1O ZINC000848882701 631769841 /nfs/dbraw/zinc/76/98/41/631769841.db2.gz YMAYTAGXFZWMEM-UHFFFAOYSA-N 0 3 324.424 3.475 20 30 DGEDHN CCc1cccc(CN2CCC(C#N)(c3ccccn3)CC2)c1O ZINC000848909530 631783052 /nfs/dbraw/zinc/78/30/52/631783052.db2.gz VXQJRRNFECFZEG-UHFFFAOYSA-N 0 3 321.424 3.407 20 30 DGEDHN C#CCOc1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000108182772 631822332 /nfs/dbraw/zinc/82/23/32/631822332.db2.gz VGIXKHLEMRLACT-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(O[C@H](C)COC)cc2)c1 ZINC000850320368 632112555 /nfs/dbraw/zinc/11/25/55/632112555.db2.gz CKFMKTMYPVGYEH-MRXNPFEDSA-N 0 3 309.409 3.371 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000850321250 632113177 /nfs/dbraw/zinc/11/31/77/632113177.db2.gz JWWKRLPWKMCAEW-HXUWFJFHSA-N 0 3 307.393 3.125 20 30 DGEDHN C=CCC1(NCc2occc2Br)CCOCC1 ZINC000850370052 632129376 /nfs/dbraw/zinc/12/93/76/632129376.db2.gz ZEMXQRSVYJYLMG-UHFFFAOYSA-N 0 3 300.196 3.257 20 30 DGEDHN C=CCOCCCNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000850378167 632132242 /nfs/dbraw/zinc/13/22/42/632132242.db2.gz UWVFXJGIEJMVIS-UHFFFAOYSA-N 0 3 322.840 3.348 20 30 DGEDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC000850418157 632146824 /nfs/dbraw/zinc/14/68/24/632146824.db2.gz ZZUBKHWCRSXBMQ-LBPRGKRZSA-N 0 3 321.396 3.042 20 30 DGEDHN C[C@H](O)[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000850421180 632147464 /nfs/dbraw/zinc/14/74/64/632147464.db2.gz WEYGELPXLZONPV-OXJNMPFZSA-N 0 3 323.440 3.248 20 30 DGEDHN N#CC(C(=O)CC1(C#N)CCOCC1)c1ccc2ccccc2n1 ZINC000850742154 632210950 /nfs/dbraw/zinc/21/09/50/632210950.db2.gz XGCDFNONVJBPQX-HNNXBMFYSA-N 0 3 319.364 3.122 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850759924 632218084 /nfs/dbraw/zinc/21/80/84/632218084.db2.gz OZDDHAJEOJZTQT-OAHLLOKOSA-N 0 3 304.365 3.426 20 30 DGEDHN C#CCNC(=O)CN[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C ZINC000007719217 632294946 /nfs/dbraw/zinc/29/49/46/632294946.db2.gz RANXXRKVBFKMGF-HNAYVOBHSA-N 0 3 300.446 3.236 20 30 DGEDHN C[C@H](CC#N)C(=O)O[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000851054570 632297548 /nfs/dbraw/zinc/29/75/48/632297548.db2.gz PROXDBMYRBHBOE-INMHGKMJSA-N 0 3 300.402 3.132 20 30 DGEDHN CCCCCCN(C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000109947152 632389577 /nfs/dbraw/zinc/38/95/77/632389577.db2.gz GKESJSRAWQXQCS-OAHLLOKOSA-N 0 3 301.434 3.248 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000852096623 632553104 /nfs/dbraw/zinc/55/31/04/632553104.db2.gz CYIZKCZTBPYFOY-HXUWFJFHSA-N 0 3 324.424 3.200 20 30 DGEDHN C#C[C@](C)(CC)NCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000852103120 632555040 /nfs/dbraw/zinc/55/50/40/632555040.db2.gz YBLMHHFPCYBASN-AUUYWEPGSA-N 0 3 318.269 3.493 20 30 DGEDHN CC(C)(NCCOC(=O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000852353548 632593310 /nfs/dbraw/zinc/59/33/10/632593310.db2.gz LIIOQPYVEIHZPH-UHFFFAOYSA-N 0 3 322.408 3.169 20 30 DGEDHN CC(C)(NC[C@@H](O)c1c(F)cccc1F)c1cccc(C#N)c1 ZINC000852353576 632593644 /nfs/dbraw/zinc/59/36/44/632593644.db2.gz ALWKPRDBORPBBC-MRXNPFEDSA-N 0 3 316.351 3.395 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)[C@@H](C)C1 ZINC000943483748 660189142 /nfs/dbraw/zinc/18/91/42/660189142.db2.gz ZKOVJEBDFQILGH-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@H](C)C1 ZINC000943500805 660190480 /nfs/dbraw/zinc/19/04/80/660190480.db2.gz ZOIUEAPVMKGVFD-UZLBHIALSA-N 0 3 322.452 3.110 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)[C@H](C)C1 ZINC000944077621 660211548 /nfs/dbraw/zinc/21/15/48/660211548.db2.gz BYBYBDLLDCADCG-DNVCBOLYSA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)[C@H](C)C1 ZINC000944315385 660218821 /nfs/dbraw/zinc/21/88/21/660218821.db2.gz AJLPFIFPAZMHSD-ZYHUDNBSSA-N 0 3 312.866 3.336 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2oc3ccccc3c2C)[C@H](C)C1 ZINC000944700663 660229841 /nfs/dbraw/zinc/22/98/41/660229841.db2.gz LMLNJKBPQWPXCJ-CZUORRHYSA-N 0 3 312.413 3.367 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(C)C ZINC000175113646 659915893 /nfs/dbraw/zinc/91/58/93/659915893.db2.gz ALAZGBCZZURNTI-UHFFFAOYSA-N 0 3 301.434 3.280 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2oc3ccccc3c2C)[C@@H](C)C1 ZINC000944701083 660230118 /nfs/dbraw/zinc/23/01/18/660230118.db2.gz NBSXKLBXCMELHU-WMLDXEAASA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(C(C)C)nc2C)[C@H](C)C1 ZINC000944905963 660235705 /nfs/dbraw/zinc/23/57/05/660235705.db2.gz GBFAFYLIMYJCDY-OCCSQVGLSA-N 0 3 321.490 3.201 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3cccc(F)c3o2)[C@H](C)C1 ZINC000945060403 660239115 /nfs/dbraw/zinc/23/91/15/660239115.db2.gz CFEVELDICLZBFM-DOMZBBRYSA-N 0 3 316.376 3.198 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC000945063879 660239389 /nfs/dbraw/zinc/23/93/89/660239389.db2.gz WLVFHLPLJCEIAO-KXBFYZLASA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ncsc2C(C)C)C[C@H]1C ZINC000947916215 660247481 /nfs/dbraw/zinc/24/74/81/660247481.db2.gz NPQVIGFMRFHACV-CHWSQXEVSA-N 0 3 307.463 3.035 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3c(cccc3C)o2)[C@@H](C)C1 ZINC000945332486 660249575 /nfs/dbraw/zinc/24/95/75/660249575.db2.gz COAFXTLPVDRQJY-GOEBONIOSA-N 0 3 312.413 3.367 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3c(cccc3C)o2)[C@H](C)C1 ZINC000945332485 660249691 /nfs/dbraw/zinc/24/96/91/660249691.db2.gz COAFXTLPVDRQJY-GDBMZVCRSA-N 0 3 312.413 3.367 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000997104816 660309273 /nfs/dbraw/zinc/30/92/73/660309273.db2.gz ORCMQBZIYSOHDM-IEBWSBKVSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001032420223 660317721 /nfs/dbraw/zinc/31/77/21/660317721.db2.gz VGOMPLFZKDSPQS-BZSNNMDCSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001038518369 660314868 /nfs/dbraw/zinc/31/48/68/660314868.db2.gz QJRLZGOICKFQIC-BBRMVZONSA-N 0 3 318.848 3.136 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCCCCCC2)CC1 ZINC000997214611 660315697 /nfs/dbraw/zinc/31/56/97/660315697.db2.gz WVPKNBKYIMXTRD-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccoc2CCC)CC1 ZINC000997388813 660323395 /nfs/dbraw/zinc/32/33/95/660323395.db2.gz CWYMECPLSPPNTN-OAHLLOKOSA-N 0 3 316.445 3.086 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccc(Cl)c2)CC1 ZINC000997402358 660323971 /nfs/dbraw/zinc/32/39/71/660323971.db2.gz NCESKNPYCHIQQO-CQSZACIVSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000997438933 660324336 /nfs/dbraw/zinc/32/43/36/660324336.db2.gz LTHOGKQXEBPAET-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC=CCCC1 ZINC001032471900 660326927 /nfs/dbraw/zinc/32/69/27/660326927.db2.gz BWXOHUGXCFBHDL-SQNIBIBYSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)c2ccccc12 ZINC001032507974 660333442 /nfs/dbraw/zinc/33/34/42/660333442.db2.gz QLLQTHMGWBRUPH-HOTGVXAUSA-N 0 3 323.440 3.136 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000997608941 660335331 /nfs/dbraw/zinc/33/53/31/660335331.db2.gz XZLGEDAJWGTIDV-INIZCTEOSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000997743904 660341582 /nfs/dbraw/zinc/34/15/82/660341582.db2.gz ZWCAHWZCNFYWHC-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)cc1 ZINC001032554682 660345592 /nfs/dbraw/zinc/34/55/92/660345592.db2.gz HZFCXVCSQLWFAL-ROUUACIJSA-N 0 3 310.441 3.003 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)csc2Cl)CC1 ZINC000997843659 660347304 /nfs/dbraw/zinc/34/73/04/660347304.db2.gz BKMMCQWDQAIICA-LBPRGKRZSA-N 0 3 324.877 3.173 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(CC)cc2)CC1 ZINC000997855472 660347470 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C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(Cl)c1 ZINC001032593690 660364814 /nfs/dbraw/zinc/36/48/14/660364814.db2.gz QPQGWQFDBOAYCG-KBPBESRZSA-N 0 3 322.811 3.344 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccc(CC)o2)CC1 ZINC000998047602 660366406 /nfs/dbraw/zinc/36/64/06/660366406.db2.gz QWKNMMKSHBRNBH-INIZCTEOSA-N 0 3 316.445 3.182 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)ccc2F)CC1 ZINC000998143180 660372756 /nfs/dbraw/zinc/37/27/56/660372756.db2.gz OVEQURSVMCUENB-MRXNPFEDSA-N 0 3 316.420 3.084 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccoc2CCC)CC1 ZINC000998171455 660373868 /nfs/dbraw/zinc/37/38/68/660373868.db2.gz DFXXTNABNZLLNN-INIZCTEOSA-N 0 3 316.445 3.182 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)C2)CC1 ZINC001032606464 660375097 /nfs/dbraw/zinc/37/50/97/660375097.db2.gz UWROLFJVXTWLKN-RLNQZENFSA-N 0 3 302.462 3.064 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cccc3c2CCC3)CC1 ZINC000998195102 660376133 /nfs/dbraw/zinc/37/61/33/660376133.db2.gz 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323.440 3.248 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001034306574 660735036 /nfs/dbraw/zinc/73/50/36/660735036.db2.gz NWGJHORIGYFOEI-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001034313381 660735886 /nfs/dbraw/zinc/73/58/86/660735886.db2.gz BZBATGPEFNWQHI-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001034326485 660737227 /nfs/dbraw/zinc/73/72/27/660737227.db2.gz JMYBPCIKKDCLBI-XLAORIBOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001034374585 660742737 /nfs/dbraw/zinc/74/27/37/660742737.db2.gz ZGKKNNDVFXUCRL-QGZVFWFLSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001034373475 660742822 /nfs/dbraw/zinc/74/28/22/660742822.db2.gz SOPLSHGZMFQOCB-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001034375305 660743435 /nfs/dbraw/zinc/74/34/35/660743435.db2.gz OTOFENKNRPINHV-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001034428061 660748893 /nfs/dbraw/zinc/74/88/93/660748893.db2.gz JGPSVYLYSUIIQJ-OJAHFUOMSA-N 0 3 324.468 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001034428817 660749422 /nfs/dbraw/zinc/74/94/22/660749422.db2.gz PLSVXQAYBIQSAY-QGZVFWFLSA-N 0 3 311.429 3.100 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001034411147 660749670 /nfs/dbraw/zinc/74/96/70/660749670.db2.gz PQINWCQGYMNSKF-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001034433724 660753260 /nfs/dbraw/zinc/75/32/60/660753260.db2.gz QWDRLQWPAQHGTA-LJQANCHMSA-N 0 3 310.441 3.416 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001034438382 660754249 /nfs/dbraw/zinc/75/42/49/660754249.db2.gz MYLYELMCSRIINR-AWEZNQCLSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001034472135 660758406 /nfs/dbraw/zinc/75/84/06/660758406.db2.gz QRENPQDVWODLLS-CYBMUJFWSA-N 0 3 317.458 3.390 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001034492939 660758815 /nfs/dbraw/zinc/75/88/15/660758815.db2.gz DEHVLAJDNYJNOG-OAHLLOKOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034493008 660759190 /nfs/dbraw/zinc/75/91/90/660759190.db2.gz DTYVHCIXKLDURD-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001034516694 660766035 /nfs/dbraw/zinc/76/60/35/660766035.db2.gz WGBDHFJMUKNXJM-KRWDZBQOSA-N 0 3 317.477 3.456 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)sc2C)CC1 ZINC001005677591 660788747 /nfs/dbraw/zinc/78/87/47/660788747.db2.gz HWEOQNKUYATDDM-UHFFFAOYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)ccc2F)CC1 ZINC001005679386 660788729 /nfs/dbraw/zinc/78/87/29/660788729.db2.gz GGFJGNJVCUXEMB-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN CC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001034782292 660791781 /nfs/dbraw/zinc/79/17/81/660791781.db2.gz FUDKUEFTAQSRHB-QAQDUYKDSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2c(F)cccc2F)CC1 ZINC001005712854 660792005 /nfs/dbraw/zinc/79/20/05/660792005.db2.gz IVAAWSPLDWJJBW-CYBMUJFWSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1c(C)nsc1C ZINC001035015361 660809349 /nfs/dbraw/zinc/80/93/49/660809349.db2.gz BQGUFFAXIZPJAT-CQSZACIVSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccoc1Cl)CC2 ZINC001035691466 660844861 /nfs/dbraw/zinc/84/48/61/660844861.db2.gz BGRPMTJKEQLTPD-UHFFFAOYSA-N 0 3 308.809 3.047 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccsc1C)CC2 ZINC001035700251 660845830 /nfs/dbraw/zinc/84/58/30/660845830.db2.gz BLMMHCCUUJHASV-UHFFFAOYSA-N 0 3 304.459 3.171 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccccc1CCC)CC2 ZINC001035749336 660850903 /nfs/dbraw/zinc/85/09/03/660850903.db2.gz MKAOAGHWMZFAPJ-UHFFFAOYSA-N 0 3 324.468 3.200 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@@H]1C)CC2 ZINC001035786762 660851760 /nfs/dbraw/zinc/85/17/60/660851760.db2.gz DDTZFWUTSGHEEM-WMZOPIPTSA-N 0 3 304.478 3.313 20 30 DGEDHN C=Cc1ccc(C(=O)N2CCC3(CN(CC(=C)C)C3)CC2)cc1 ZINC001035799650 660854240 /nfs/dbraw/zinc/85/42/40/660854240.db2.gz IGAJGLJGDXSRJE-UHFFFAOYSA-N 0 3 310.441 3.444 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(c3ccccc3)CC1)CC2 ZINC001035846306 660855946 /nfs/dbraw/zinc/85/59/46/660855946.db2.gz HTHNXKWGFUWFSB-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc3ccccc3[nH]1)CC2 ZINC001035850021 660856308 /nfs/dbraw/zinc/85/63/08/660856308.db2.gz NYQIDJVLSQSVII-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C(F)(F)F)CC2 ZINC001035840594 660857836 /nfs/dbraw/zinc/85/78/36/660857836.db2.gz AVPRAHAWNCUOMX-UHFFFAOYSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C(F)F)o1)CC2 ZINC001035843310 660858219 /nfs/dbraw/zinc/85/82/19/660858219.db2.gz OEKOWTMVTLDWFO-UHFFFAOYSA-N 0 3 324.371 3.331 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(F)cccc1F)CC2 ZINC001035842472 660858285 /nfs/dbraw/zinc/85/82/85/660858285.db2.gz VNQPBUSPSSUPNG-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C13CCC(CC1)CC3)CC2 ZINC001035854417 660860130 /nfs/dbraw/zinc/86/01/30/660860130.db2.gz YWFFXLZWBXWXDI-UHFFFAOYSA-N 0 3 316.489 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc3c1CCC3)CC2 ZINC001035859782 660860853 /nfs/dbraw/zinc/86/08/53/660860853.db2.gz IAYUWRLWTSTDMK-UHFFFAOYSA-N 0 3 324.468 3.289 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2nccs2)[C@H](C)C1 ZINC001036133656 660879220 /nfs/dbraw/zinc/87/92/20/660879220.db2.gz CEUKDSYLQPWUSU-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccoc2C2CC2)CC1 ZINC000948722615 660949365 /nfs/dbraw/zinc/94/93/65/660949365.db2.gz UZCMVHGSKKNRJI-MRXNPFEDSA-N 0 3 314.429 3.107 20 30 DGEDHN CC(=NNCC1(C)CCCC1)c1cccc(N2CCOCC2)c1 ZINC000793090459 661004493 /nfs/dbraw/zinc/00/44/93/661004493.db2.gz SKPZASQHNQOBAE-UHFFFAOYSA-N 0 3 315.461 3.417 20 30 DGEDHN C#C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000794057070 661066758 /nfs/dbraw/zinc/06/67/58/661066758.db2.gz DBJMKMARIPWPCJ-DVOMOZLQSA-N 0 3 304.821 3.003 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC000969111298 655523058 /nfs/dbraw/zinc/52/30/58/655523058.db2.gz NIOJOSIYSHGOEW-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccoc1CCC ZINC000969112040 655523834 /nfs/dbraw/zinc/52/38/34/655523834.db2.gz WVXOGLGOEWUSIX-HNNXBMFYSA-N 0 3 304.434 3.393 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC000969138829 655527305 /nfs/dbraw/zinc/52/73/05/655527305.db2.gz CMRHGWRMNUWWOG-SFHVURJKSA-N 0 3 312.457 3.301 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC000969140060 655527370 /nfs/dbraw/zinc/52/73/70/655527370.db2.gz WFKKHUIYFRIQFV-INIZCTEOSA-N 0 3 318.486 3.363 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000969139861 655527464 /nfs/dbraw/zinc/52/74/64/655527464.db2.gz SAMBJCSNEYXWRO-LJQANCHMSA-N 0 3 312.457 3.301 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000969141775 655527713 /nfs/dbraw/zinc/52/77/13/655527713.db2.gz LPQKDVTUVPNPDC-IBGZPJMESA-N 0 3 312.457 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C2CC2)C1 ZINC001020430711 655534402 /nfs/dbraw/zinc/53/44/02/655534402.db2.gz VYEWCGBOLNZJNK-YHUYYLMFSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC000969737849 655556547 /nfs/dbraw/zinc/55/65/47/655556547.db2.gz KACLOUNDDUXCPU-HNNXBMFYSA-N 0 3 312.457 3.192 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC000969830206 655558984 /nfs/dbraw/zinc/55/89/84/655558984.db2.gz GDWPPKAVDFEDNM-PBHICJAKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000969830745 655559146 /nfs/dbraw/zinc/55/91/46/655559146.db2.gz SUPXTHUQGVBZEC-SJLPKXTDSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ccc(F)c(F)c3)C2)C1 ZINC000969878394 655561871 /nfs/dbraw/zinc/56/18/71/655561871.db2.gz NMMJBOOZYCPUOV-CQSZACIVSA-N 0 3 320.383 3.012 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(F)ccc2CC)C1 ZINC000970052260 655570625 /nfs/dbraw/zinc/57/06/25/655570625.db2.gz WENUOWYYYSGGKI-CYBMUJFWSA-N 0 3 304.409 3.014 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970115056 655576754 /nfs/dbraw/zinc/57/67/54/655576754.db2.gz BMUKYLRRCRXZIV-HNNXBMFYSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC001039116688 655581537 /nfs/dbraw/zinc/58/15/37/655581537.db2.gz ORVMPDTWPIDTCQ-RHSMWYFYSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001020938729 655582306 /nfs/dbraw/zinc/58/23/06/655582306.db2.gz VFKBMLBDXWQQPV-QAQDUYKDSA-N 0 3 316.832 3.249 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001021011206 655586448 /nfs/dbraw/zinc/58/64/48/655586448.db2.gz OLNNLGPFIQMVJO-SHTZXODSSA-N 0 3 322.836 3.077 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3cscc3s2)C1 ZINC000970176019 655586886 /nfs/dbraw/zinc/58/68/86/655586886.db2.gz ZAJFQWYYYKUBTQ-NSHDSACASA-N 0 3 318.467 3.036 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001021031803 655587591 /nfs/dbraw/zinc/58/75/91/655587591.db2.gz NDVNXEJAVMMARS-QAQDUYKDSA-N 0 3 320.864 3.488 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001039153734 655587935 /nfs/dbraw/zinc/58/79/35/655587935.db2.gz GJFGCEQSRUVNEI-MRXNPFEDSA-N 0 3 324.896 3.490 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2-n2cccc2)C1 ZINC000970363213 655596173 /nfs/dbraw/zinc/59/61/73/655596173.db2.gz JBEGXDWIJFIFEJ-MRXNPFEDSA-N 0 3 323.440 3.104 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(F)c2Cl)C1 ZINC000970488790 655602479 /nfs/dbraw/zinc/60/24/79/655602479.db2.gz UXEUPCFUNZSRCC-NSHDSACASA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000970593459 655608150 /nfs/dbraw/zinc/60/81/50/655608150.db2.gz MGUNZZQFEUYWSQ-GFCCVEGCSA-N 0 3 308.372 3.250 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccn2C2CCCC2)C1 ZINC000970655906 655611156 /nfs/dbraw/zinc/61/11/56/655611156.db2.gz WOVBOHQPDDIJAU-HNNXBMFYSA-N 0 3 315.461 3.229 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCC2CCCC2)C1 ZINC001039206700 655614522 /nfs/dbraw/zinc/61/45/22/655614522.db2.gz OYOXQRRQZMVRMO-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2OC(C)C)C1 ZINC000970768398 655618163 /nfs/dbraw/zinc/61/81/63/655618163.db2.gz FBQMTEXPLUQAJR-HNNXBMFYSA-N 0 3 316.445 3.100 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2=CCCCCC2)C1 ZINC001021568528 655634096 /nfs/dbraw/zinc/63/40/96/655634096.db2.gz KCHMDYWVSYNSTA-MOPGFXCFSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2csc(C)c2)C1 ZINC001039230809 655634296 /nfs/dbraw/zinc/63/42/96/655634296.db2.gz MQOIEFMGYUUNFU-WBVHZDCISA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)C2CC2)C1 ZINC001021585352 655637186 /nfs/dbraw/zinc/63/71/86/655637186.db2.gz RQXTULXQXSXCJV-AEFFLSMTSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001039248377 655642049 /nfs/dbraw/zinc/64/20/49/655642049.db2.gz BIOSDNRXFGSRGM-VJANTYMQSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001039248374 655642069 /nfs/dbraw/zinc/64/20/69/655642069.db2.gz BIOSDNRXFGSRGM-NCXUSEDFSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(-c3ccccc3)co2)C1 ZINC000970982406 655646975 /nfs/dbraw/zinc/64/69/75/655646975.db2.gz QWKVPKIEBXDPIG-OAHLLOKOSA-N 0 3 322.408 3.020 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CCC(C)(C)CC2)C1 ZINC001021744250 655669510 /nfs/dbraw/zinc/66/95/10/655669510.db2.gz VYDKEHIDHNVAQH-MSOLQXFVSA-N 0 3 316.489 3.149 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(CCCC#N)C2 ZINC000933044899 655672196 /nfs/dbraw/zinc/67/21/96/655672196.db2.gz DRQUHJZOIKEHLV-QGZVFWFLSA-N 0 3 307.438 3.156 20 30 DGEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000050678946 655673724 /nfs/dbraw/zinc/67/37/24/655673724.db2.gz DQTALQNZPVAOBG-YOEHRIQHSA-N 0 3 312.413 3.338 20 30 DGEDHN CC(C)C[C@@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000933251237 655692171 /nfs/dbraw/zinc/69/21/71/655692171.db2.gz QEFLXLWYLNBUCG-GOSISDBHSA-N 0 3 304.865 3.354 20 30 DGEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000255331410 655701581 /nfs/dbraw/zinc/70/15/81/655701581.db2.gz LYYBBCMEJAEAEK-CDNLZTBQSA-N 0 3 324.359 3.033 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(CC=C)[C@H](C)C1 ZINC000947458149 655711425 /nfs/dbraw/zinc/71/14/25/655711425.db2.gz FIEQLQVQGFTWGG-HZPDHXFCSA-N 0 3 314.429 3.020 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001022206033 655720471 /nfs/dbraw/zinc/72/04/71/655720471.db2.gz KLQNCQCVGUXMGG-TWRNUZMCSA-N 0 3 322.880 3.048 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(CC(C)C)s2)C1 ZINC000971693543 655721772 /nfs/dbraw/zinc/72/17/72/655721772.db2.gz RGYYEJZDUKBSAN-AWEZNQCLSA-N 0 3 306.475 3.279 20 30 DGEDHN CN(CCCC1(C#N)CCOCC1)Cc1cc(C#N)cs1 ZINC000933772958 655732817 /nfs/dbraw/zinc/73/28/17/655732817.db2.gz YSJOXVYPZLIBNP-UHFFFAOYSA-N 0 3 303.431 3.152 20 30 DGEDHN COC(=O)c1ccccc1CCN(C)Cc1cc(C#N)cs1 ZINC000933773620 655732834 /nfs/dbraw/zinc/73/28/34/655732834.db2.gz ORIORBRURDQISR-UHFFFAOYSA-N 0 3 314.410 3.081 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2coc3cc(F)ccc23)C[C@@H]1C ZINC000947473586 655736467 /nfs/dbraw/zinc/73/64/67/655736467.db2.gz NNVIGGQXUOWXKR-JSGCOSHPSA-N 0 3 316.376 3.341 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCOC12CCCCC2 ZINC000933870504 655736973 /nfs/dbraw/zinc/73/69/73/655736973.db2.gz CJTUCUOVBTYRDI-QGZVFWFLSA-N 0 3 300.402 3.148 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000971855593 655737530 /nfs/dbraw/zinc/73/75/30/655737530.db2.gz FLTWFVJXOTXXIX-GFCCVEGCSA-N 0 3 317.820 3.154 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000971952463 655750507 /nfs/dbraw/zinc/75/05/07/655750507.db2.gz JWOPXIJJNKWKTL-XJKSGUPXSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC000972003329 655753983 /nfs/dbraw/zinc/75/39/83/655753983.db2.gz WFHFGMWIVPDWJB-GFCCVEGCSA-N 0 3 310.800 3.120 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000972074889 655762411 /nfs/dbraw/zinc/76/24/11/655762411.db2.gz GCQNTNKCDKLAMW-OAHLLOKOSA-N 0 3 311.429 3.117 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(Cl)oc3ccccc32)C1 ZINC000972149384 655772573 /nfs/dbraw/zinc/77/25/73/655772573.db2.gz BXQGGKSQFROJOZ-GFCCVEGCSA-N 0 3 318.804 3.419 20 30 DGEDHN CN(C)CCN(C(=O)/C=C\c1ccccc1C#N)c1ccccc1 ZINC000255506377 655775625 /nfs/dbraw/zinc/77/56/25/655775625.db2.gz YBOSVFQNWDBTEE-SEYXRHQNSA-N 0 3 319.408 3.166 20 30 DGEDHN C#C[C@H]1CCCCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000934515046 655782172 /nfs/dbraw/zinc/78/21/72/655782172.db2.gz FZNKCWQUIQEOEX-SFHVURJKSA-N 0 3 312.457 3.290 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972246584 655782381 /nfs/dbraw/zinc/78/23/81/655782381.db2.gz PRNQVQJBZWPOOD-HKUYNNGSSA-N 0 3 318.436 3.461 20 30 DGEDHN C#CCCCN[C@H](C)c1ccccc1I ZINC000309123253 655783565 /nfs/dbraw/zinc/78/35/65/655783565.db2.gz OPWJXEITPCRUGX-LLVKDONJSA-N 0 3 313.182 3.355 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)Cc3cccc(F)c3)C2)C1 ZINC000972275744 655784848 /nfs/dbraw/zinc/78/48/48/655784848.db2.gz PRBZGKRRALBSAV-QGZVFWFLSA-N 0 3 316.420 3.215 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC000972319713 655788511 /nfs/dbraw/zinc/78/85/11/655788511.db2.gz IZKPNIWOOGIPPW-MOPGFXCFSA-N 0 3 314.473 3.220 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001022868247 655794350 /nfs/dbraw/zinc/79/43/50/655794350.db2.gz ZNIXVGGPQVIXRF-HRCADAONSA-N 0 3 318.848 3.096 20 30 DGEDHN C#CCCOc1ccc(CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000237652788 655795615 /nfs/dbraw/zinc/79/56/15/655795615.db2.gz GTMYEFULOILFPB-FQEVSTJZSA-N 0 3 309.409 3.086 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC000972432541 655797921 /nfs/dbraw/zinc/79/79/21/655797921.db2.gz AADLJVINDQWPRW-ROUUACIJSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(-c3ccco3)o2)C[C@H]1C ZINC000947535853 655810251 /nfs/dbraw/zinc/81/02/51/655810251.db2.gz BCHHRCSKAVONPF-ZIAGYGMSSA-N 0 3 314.385 3.308 20 30 DGEDHN COc1ccc(O)c(/C=N\C[C@H](C)N2CCc3ccccc3C2)c1 ZINC000255569979 655815690 /nfs/dbraw/zinc/81/56/90/655815690.db2.gz IMTXOVZUWNYGPZ-MNAFEPAFSA-N 0 3 324.424 3.267 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc3c2CCCC3)C1 ZINC001023387857 655831201 /nfs/dbraw/zinc/83/12/01/655831201.db2.gz AGSDMEFEZPHBLO-KRWDZBQOSA-N 0 3 324.468 3.031 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3ccccc3c2C)C[C@@H]1C ZINC000947555645 655833660 /nfs/dbraw/zinc/83/36/60/655833660.db2.gz KYXQVFRHMOQLDY-GOEBONIOSA-N 0 3 323.440 3.312 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001023524877 655839819 /nfs/dbraw/zinc/83/98/19/655839819.db2.gz CZDVVCMWMDSERM-HNNXBMFYSA-N 0 3 318.848 3.032 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001023571151 655844246 /nfs/dbraw/zinc/84/42/46/655844246.db2.gz JCDOBLMTKGCERN-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)cccc2Cl)C1 ZINC001023575562 655844474 /nfs/dbraw/zinc/84/44/74/655844474.db2.gz WDBCEZWEVXNXRT-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001023636667 655851250 /nfs/dbraw/zinc/85/12/50/655851250.db2.gz RIPCIXYNVIBQMC-ZDUSSCGKSA-N 0 3 321.490 3.068 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001023661751 655853198 /nfs/dbraw/zinc/85/31/98/655853198.db2.gz CSCKFSKAKSKGAG-MRXNPFEDSA-N 0 3 312.457 3.059 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC001023720929 655857399 /nfs/dbraw/zinc/85/73/99/655857399.db2.gz XTMPUBATUYKAMH-KRWDZBQOSA-N 0 3 320.436 3.305 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001023734211 655859730 /nfs/dbraw/zinc/85/97/30/655859730.db2.gz XSSAKVKVSULFLH-WWDZGPRUSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001023736322 655859873 /nfs/dbraw/zinc/85/98/73/655859873.db2.gz AAMXGQARLRQLIS-MRXNPFEDSA-N 0 3 324.424 3.206 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001023763710 655862739 /nfs/dbraw/zinc/86/27/39/655862739.db2.gz YPTCQPCXGWKIRX-MRXNPFEDSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001023767475 655863618 /nfs/dbraw/zinc/86/36/18/655863618.db2.gz GLXAKDJDFCITTD-OAHLLOKOSA-N 0 3 312.413 3.369 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC000972686434 655865016 /nfs/dbraw/zinc/86/50/16/655865016.db2.gz CYGHMRCAOCMWCO-SFHVURJKSA-N 0 3 314.473 3.245 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(Cl)cc2C)C[C@H]1C ZINC000947599386 655876841 /nfs/dbraw/zinc/87/68/41/655876841.db2.gz UJGQJHGFJYFOEE-HUUCEWRRSA-N 0 3 318.848 3.173 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(Cl)cc2C)C[C@@H]1C ZINC000947599387 655877099 /nfs/dbraw/zinc/87/70/99/655877099.db2.gz UJGQJHGFJYFOEE-LSDHHAIUSA-N 0 3 318.848 3.173 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000972790779 655882456 /nfs/dbraw/zinc/88/24/56/655882456.db2.gz ZHOMEXZZBSFPPU-CQSZACIVSA-N 0 3 312.335 3.038 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001024453869 655906882 /nfs/dbraw/zinc/90/68/82/655906882.db2.gz SSIHLXOEDKHMBR-KRWDZBQOSA-N 0 3 310.397 3.040 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000179658550 655910851 /nfs/dbraw/zinc/91/08/51/655910851.db2.gz HJEQSRPONHHBLX-GOSISDBHSA-N 0 3 300.446 3.162 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001024508881 655912271 /nfs/dbraw/zinc/91/22/71/655912271.db2.gz NRZWDWDABSTSNB-UYAOXDASSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccccc1CC ZINC001024620328 655924791 /nfs/dbraw/zinc/92/47/91/655924791.db2.gz QQFJJOUOIFOODM-KRWDZBQOSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001024624527 655925169 /nfs/dbraw/zinc/92/51/69/655925169.db2.gz UPFRWGFVZZEGIE-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001024695514 655930951 /nfs/dbraw/zinc/93/09/51/655930951.db2.gz AFJLXNWURVXYNA-CABCVRRESA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001024709837 655932690 /nfs/dbraw/zinc/93/26/90/655932690.db2.gz MGENOUKTSPSKGJ-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024765010 655936647 /nfs/dbraw/zinc/93/66/47/655936647.db2.gz ZFBMNRKBBCYJDY-GBESFXJTSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001024768511 655936830 /nfs/dbraw/zinc/93/68/30/655936830.db2.gz SCMQSIWVUGPBCD-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001024802885 655940592 /nfs/dbraw/zinc/94/05/92/655940592.db2.gz CCKAKLTWXIWHNE-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001024821259 655942025 /nfs/dbraw/zinc/94/20/25/655942025.db2.gz JFWIDRQQADXWPL-CQSZACIVSA-N 0 3 321.490 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001024816254 655942307 /nfs/dbraw/zinc/94/23/07/655942307.db2.gz GJLUIIUELWWDFR-QGZVFWFLSA-N 0 3 304.409 3.317 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cncc3sccc32)C[C@@H]1C ZINC000947649611 655948513 /nfs/dbraw/zinc/94/85/13/655948513.db2.gz SRTAVLXFSNUMJZ-QWHCGFSZSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cscc2C(F)F)C1 ZINC001007344010 655968662 /nfs/dbraw/zinc/96/86/62/655968662.db2.gz FIPMYVGQNBJIGR-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201294 655978035 /nfs/dbraw/zinc/97/80/35/655978035.db2.gz LJCNKHIIVTYUFO-DLBZAZTESA-N 0 3 314.429 3.037 20 30 DGEDHN C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201294 655978036 /nfs/dbraw/zinc/97/80/36/655978036.db2.gz LJCNKHIIVTYUFO-DLBZAZTESA-N 0 3 314.429 3.037 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001025207956 655978558 /nfs/dbraw/zinc/97/85/58/655978558.db2.gz BWCOOCSVVGLGIA-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001025209193 655978771 /nfs/dbraw/zinc/97/87/71/655978771.db2.gz KLRSJAPECHIESH-OALUTQOASA-N 0 3 314.473 3.356 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001025213833 655979360 /nfs/dbraw/zinc/97/93/60/655979360.db2.gz PJJXETAQQIZQJO-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025215611 655979922 /nfs/dbraw/zinc/97/99/22/655979922.db2.gz BPBCRECKPVPTCS-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001025230442 655982664 /nfs/dbraw/zinc/98/26/64/655982664.db2.gz AAJLPPVAISRINY-PMACEKPBSA-N 0 3 324.468 3.154 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccns1 ZINC001025236867 655983436 /nfs/dbraw/zinc/98/34/36/655983436.db2.gz IBRHJZKELBSXDH-CABCVRRESA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CC)CCC1 ZINC001025259553 655985124 /nfs/dbraw/zinc/98/51/24/655985124.db2.gz OMHTZPBBOIWDFZ-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025253193 655985604 /nfs/dbraw/zinc/98/56/04/655985604.db2.gz UMNMZMPWVWLIAA-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CCCCC1 ZINC001025268039 655986981 /nfs/dbraw/zinc/98/69/81/655986981.db2.gz VAXJUXMQCJXYQV-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC001025292615 655989202 /nfs/dbraw/zinc/98/92/02/655989202.db2.gz KGKANMUMVBKKIA-UXHICEINSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC001025425417 656009538 /nfs/dbraw/zinc/00/95/38/656009538.db2.gz POZWODRCHFVOMR-FUHWJXTLSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2csc(C)c2C)C1 ZINC001025427664 656010766 /nfs/dbraw/zinc/01/07/66/656010766.db2.gz GUUVWPQUTSUVMF-ZBFHGGJFSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001025485989 656022429 /nfs/dbraw/zinc/02/24/29/656022429.db2.gz RAZPZRCMTWPKFG-CABCVRRESA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC)C1 ZINC001025519298 656027863 /nfs/dbraw/zinc/02/78/63/656027863.db2.gz MSBZHVLJVFVSGC-SJLPKXTDSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC001025534105 656031037 /nfs/dbraw/zinc/03/10/37/656031037.db2.gz KBGNAUKISNVCQW-RDJZCZTQSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC001025598528 656043244 /nfs/dbraw/zinc/04/32/44/656043244.db2.gz ZXRWRJNHXBHBDW-CZUORRHYSA-N 0 3 320.383 3.088 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC001025603081 656044146 /nfs/dbraw/zinc/04/41/46/656044146.db2.gz QGZKDCGDDNILOV-HOCLYGCPSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001025611399 656046711 /nfs/dbraw/zinc/04/67/11/656046711.db2.gz KNJJADZOMJVFBK-UZLBHIALSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC001025611035 656046943 /nfs/dbraw/zinc/04/69/43/656046943.db2.gz IUHABXINNBWZHL-ROUUACIJSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2oc3ccccc3c2C)C1 ZINC001025613767 656047839 /nfs/dbraw/zinc/04/78/39/656047839.db2.gz ABEKKRPSFLYZDT-JKSUJKDBSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC001025614121 656047851 /nfs/dbraw/zinc/04/78/51/656047851.db2.gz GPTUWDYRGHEBSY-CJNGLKHVSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025631713 656052374 /nfs/dbraw/zinc/05/23/74/656052374.db2.gz DKEXIAVDUAHBCV-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC001025636257 656053369 /nfs/dbraw/zinc/05/33/69/656053369.db2.gz YKXROGMELSSDGN-SJLPKXTDSA-N 0 3 324.468 3.029 20 30 DGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000930623889 656106169 /nfs/dbraw/zinc/10/61/69/656106169.db2.gz VQVCMLDJERJMBZ-ZACQAIPSSA-N 0 3 304.821 3.337 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000947684098 656136634 /nfs/dbraw/zinc/13/66/34/656136634.db2.gz FYCAKBIMDZEIJR-DZGCQCFKSA-N 0 3 306.837 3.417 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2c(C)oc3ccccc32)C(C)(C)C1 ZINC000974618159 656216727 /nfs/dbraw/zinc/21/67/27/656216727.db2.gz CXBXKSYUBYMNLS-KRWDZBQOSA-N 0 3 324.424 3.205 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cccc(CC)c2)C(C)(C)C1 ZINC000974742801 656226788 /nfs/dbraw/zinc/22/67/88/656226788.db2.gz OPUGFJFYRDPRGD-SFHVURJKSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(F)ccc2CC)C(C)(C)C1 ZINC000974773941 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C=CCCc1ccccc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000931290869 661464442 /nfs/dbraw/zinc/46/44/42/661464442.db2.gz RREXCUKJBXNZQY-INIZCTEOSA-N 0 3 301.434 3.363 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCc2cccc3cccc1c32 ZINC000931808736 661511532 /nfs/dbraw/zinc/51/15/32/661511532.db2.gz KLGLNIKSPJTLIS-GOSISDBHSA-N 0 3 321.424 3.179 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Sc2ccc(F)cc2)CC1 ZINC000932140446 661541781 /nfs/dbraw/zinc/54/17/81/661541781.db2.gz BTZYYNDJPVNZNO-CYBMUJFWSA-N 0 3 322.449 3.073 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000932382911 661564958 /nfs/dbraw/zinc/56/49/58/661564958.db2.gz UMNFTERPXBEIDU-LJQANCHMSA-N 0 3 320.396 3.023 20 30 DGEDHN Cc1ccc(C#N)cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000932504683 661574368 /nfs/dbraw/zinc/57/43/68/661574368.db2.gz SFMRPNVLLDRZGI-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN N#CCC1(CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)CC1 ZINC000933070368 661615445 /nfs/dbraw/zinc/61/54/45/661615445.db2.gz YSOYPYMQWIHZRJ-INIZCTEOSA-N 0 3 312.413 3.031 20 30 DGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(Cl)cc2c1OCC2 ZINC000933271717 661627281 /nfs/dbraw/zinc/62/72/81/661627281.db2.gz XZCAIRBGZBVENW-FZMZJTMJSA-N 0 3 322.836 3.226 20 30 DGEDHN C=CCCN1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000933824112 661661127 /nfs/dbraw/zinc/66/11/27/661661127.db2.gz COCDXIGZLGVSHF-UHFFFAOYSA-N 0 3 324.465 3.101 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H]1CCOC12CCCCC2 ZINC000933872655 661664183 /nfs/dbraw/zinc/66/41/83/661664183.db2.gz NYOMQFDTNRDVSF-KRWDZBQOSA-N 0 3 300.402 3.148 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN(Cc2ccoc2)C2CC2)cc1 ZINC000934003983 661672946 /nfs/dbraw/zinc/67/29/46/661672946.db2.gz GZJRSFGCHDGTHL-UHFFFAOYSA-N 0 3 309.369 3.144 20 30 DGEDHN C=CC[C@@H]1CCN1[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000934463311 661708425 /nfs/dbraw/zinc/70/84/25/661708425.db2.gz YAHHCKREVXEHPY-WBVHZDCISA-N 0 3 320.383 3.106 20 30 DGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cnn(CC2CCC2)c1 ZINC000934557578 661715211 /nfs/dbraw/zinc/71/52/11/661715211.db2.gz 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C=CCN1CC[C@H](NC(=O)c2cccc3ncccc32)C[C@H]1C ZINC000947593259 661919329 /nfs/dbraw/zinc/91/93/29/661919329.db2.gz MMEMEAFTJOIQGG-CABCVRRESA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2OC)C[C@H]1C ZINC000947654170 661922328 /nfs/dbraw/zinc/92/23/28/661922328.db2.gz ZTLODXQRMPDEGH-TZMCWYRMSA-N 0 3 322.836 3.117 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)C[C@H]1C ZINC000947662922 661922732 /nfs/dbraw/zinc/92/27/32/661922732.db2.gz MQARUQQMAOVKNJ-QAPCUYQASA-N 0 3 316.489 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)C[C@H]1C ZINC000947672100 661923614 /nfs/dbraw/zinc/92/36/14/661923614.db2.gz QFSQWZWHPZFWFB-APWZRJJASA-N 0 3 312.457 3.245 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)C[C@@H]1C ZINC000947693482 661925517 /nfs/dbraw/zinc/92/55/17/661925517.db2.gz NKORAVQZHMQUHM-KBPBESRZSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000947745081 661928400 /nfs/dbraw/zinc/92/84/00/661928400.db2.gz CCDZXKVBJCSMIC-NHYWBVRUSA-N 0 3 310.800 3.248 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccsc2Cl)C[C@@H]1C ZINC000947779542 661931297 /nfs/dbraw/zinc/93/12/97/661931297.db2.gz QGVRUQVYHORVSC-RYUDHWBXSA-N 0 3 310.850 3.008 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)C[C@@H]1C ZINC000947827847 661933608 /nfs/dbraw/zinc/93/36/08/661933608.db2.gz ALBIJSXCOODDMA-HOCLYGCPSA-N 0 3 318.848 3.254 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)C[C@@H]1C ZINC000947877886 661935421 /nfs/dbraw/zinc/93/54/21/661935421.db2.gz GXQSGYGJDASWRL-HOCLYGCPSA-N 0 3 316.445 3.317 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C[C@H]1C ZINC000947896631 661936421 /nfs/dbraw/zinc/93/64/21/661936421.db2.gz ZXNFIGOHFDKPQJ-APWZRJJASA-N 0 3 312.457 3.416 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C[C@@H]1C ZINC000948035649 661945784 /nfs/dbraw/zinc/94/57/84/661945784.db2.gz HPXZHBRAIJTCKC-RDJZCZTQSA-N 0 3 323.440 3.450 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)C[C@@H]1C ZINC000948035647 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C=CCN1CCC(N(C)C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC001006434854 661991827 /nfs/dbraw/zinc/99/18/27/661991827.db2.gz KCOXGPPHCXBUJV-AWEZNQCLSA-N 0 3 304.409 3.038 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cccc3[nH]ccc32)CC1 ZINC000948800604 661998836 /nfs/dbraw/zinc/99/88/36/661998836.db2.gz VIGUJNWZKRGGAI-MRXNPFEDSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(F)ccc2Cl)CC1 ZINC000948805222 661999231 /nfs/dbraw/zinc/99/92/31/661999231.db2.gz XLSNPRNZVKESBI-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000948805186 661999386 /nfs/dbraw/zinc/99/93/86/661999386.db2.gz XHFRSTACLGMODU-INIZCTEOSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cncc3ccccc32)CC1 ZINC001006436621 662000709 /nfs/dbraw/zinc/00/07/09/662000709.db2.gz ZPYOHMABRBYMPM-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)C23CCC(CC2)C3(C)C)CC1 ZINC000948836971 662001647 /nfs/dbraw/zinc/00/16/47/662001647.db2.gz SOAGYMVTTMSWMG-GNZRSQJKSA-N 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/nfs/dbraw/zinc/00/95/93/662009593.db2.gz LVQSNKOWXJOCHL-ZYSHUDEJSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000948966460 662009950 /nfs/dbraw/zinc/00/99/50/662009950.db2.gz ZQSJSSBCXHBIHG-ZWKOTPCHSA-N 0 3 310.441 3.078 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC000949462273 662016600 /nfs/dbraw/zinc/01/66/00/662016600.db2.gz DGZVEXSSXHIOOL-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN N#CC(C(=O)CCSc1ccccn1)c1nc2ccccc2[nH]1 ZINC000088800628 662234961 /nfs/dbraw/zinc/23/49/61/662234961.db2.gz BNTLWJNJLUNMHG-GFCCVEGCSA-N 0 3 322.393 3.317 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@@H]2C)cc1 ZINC000248337443 662342931 /nfs/dbraw/zinc/34/29/31/662342931.db2.gz HLUGSCJDFSEQNS-IKGGRYGDSA-N 0 3 313.445 3.361 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C)[C@H]2C)cc1C ZINC000248330556 662342975 /nfs/dbraw/zinc/34/29/75/662342975.db2.gz DOGDSHMVWRCXER-NVXWUHKLSA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2coc3ccccc23)CC1 ZINC001006188292 685366163 /nfs/dbraw/zinc/36/61/63/685366163.db2.gz MQFTUVHDACROBN-UHFFFAOYSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)s1 ZINC001032730452 685391752 /nfs/dbraw/zinc/39/17/52/685391752.db2.gz FVFHPHRBJDTHSV-ILXRZTDVSA-N 0 3 304.459 3.021 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc3occc3c2)CC[C@H]1C ZINC001071524832 686677435 /nfs/dbraw/zinc/67/74/35/686677435.db2.gz ITJKIBHSCUHKEO-RHSMWYFYSA-N 0 3 310.397 3.039 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)cc2)CC[C@H]1C ZINC001071662593 686716271 /nfs/dbraw/zinc/71/62/71/686716271.db2.gz DEAQRQHPZJGEFJ-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2CCC)CC[C@@H]1C ZINC001071763798 686744216 /nfs/dbraw/zinc/74/42/16/686744216.db2.gz YTLLOGGYYDFVCC-GJZGRUSLSA-N 0 3 303.450 3.126 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(F)ccc2F)CC[C@H]1C ZINC001071776216 686749148 /nfs/dbraw/zinc/74/91/48/686749148.db2.gz OIHRKLDDKXYCRD-CJNGLKHVSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccc(C)c2)CC[C@H]1C ZINC001071780415 686751174 /nfs/dbraw/zinc/75/11/74/686751174.db2.gz YLNCUXCKTVCFAQ-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cccc(C)c2)CC[C@H]1C ZINC001071780417 686751307 /nfs/dbraw/zinc/75/13/07/686751307.db2.gz YLNCUXCKTVCFAQ-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@@H]1C ZINC001071791868 686754879 /nfs/dbraw/zinc/75/48/79/686754879.db2.gz BHPBLWFQLGRXDC-FUHWJXTLSA-N 0 3 300.446 3.001 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)ccc2C)CC[C@@H]1C ZINC001071794505 686755531 /nfs/dbraw/zinc/75/55/31/686755531.db2.gz CJXYRUFUPSXNND-HKUYNNGSSA-N 0 3 314.473 3.391 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2C2(C)CC2)CC[C@H]1C ZINC001071821074 686761218 /nfs/dbraw/zinc/76/12/18/686761218.db2.gz IWDJITGEWIVJBX-SJORKVTESA-N 0 3 324.468 3.344 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(F)c2F)CC[C@H]1C ZINC001071836085 686765434 /nfs/dbraw/zinc/76/54/34/686765434.db2.gz SKAIDLQDAOJNJM-ZIAGYGMSSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(Cl)c2F)CC[C@@H]1C ZINC001071839826 686767142 /nfs/dbraw/zinc/76/71/42/686767142.db2.gz HSNJAQNPMPFSPM-JSGCOSHPSA-N 0 3 324.827 3.177 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)CC[C@@H]1C ZINC001071883367 686780266 /nfs/dbraw/zinc/78/02/66/686780266.db2.gz KCIHYWGXQAZDEI-JXFKEZNVSA-N 0 3 322.452 3.252 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)CC[C@H]1C ZINC001071883370 686780542 /nfs/dbraw/zinc/78/05/42/686780542.db2.gz KCIHYWGXQAZDEI-UZLBHIALSA-N 0 3 322.452 3.252 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2oc(C(C)C)nc2C)CC[C@@H]1C ZINC001071883467 686780715 /nfs/dbraw/zinc/78/07/15/686780715.db2.gz LTLGOAKRTVMLFC-DZGCQCFKSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2oc(C3CC3)nc2C)CC[C@@H]1C ZINC001071883686 686782255 /nfs/dbraw/zinc/78/22/55/686782255.db2.gz PJALPNSKFGFGGE-WFASDCNBSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCN1C[C@H](NC(=O)c2cccc3ccncc32)CC[C@@H]1C ZINC001071957604 686796214 /nfs/dbraw/zinc/79/62/14/686796214.db2.gz KXLVFPZPBQBADW-GOEBONIOSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2COC)CC[C@H]1C ZINC001071990552 686806670 /nfs/dbraw/zinc/80/66/70/686806670.db2.gz AMRUBALDGBGFCB-HIFRSBDPSA-N 0 3 322.474 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)CC[C@H]1C ZINC001071999550 686809855 /nfs/dbraw/zinc/80/98/55/686809855.db2.gz PTLRAHLDNLALFX-WBVHZDCISA-N 0 3 317.477 3.372 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC[C@H]1C ZINC001072009460 686816207 /nfs/dbraw/zinc/81/62/07/686816207.db2.gz WTKOCRMUBCXJMT-TVFCKZIOSA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(Cl)cc2)CC[C@H]1C ZINC001072032580 686833317 /nfs/dbraw/zinc/83/33/17/686833317.db2.gz FJYZIMXWFSUCKL-RHSMWYFYSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc3c(s2)CCC3)CC[C@@H]1C ZINC001072047728 686843237 /nfs/dbraw/zinc/84/32/37/686843237.db2.gz GMSITNIUMNXMRY-DZGCQCFKSA-N 0 3 318.486 3.396 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072050472 686845842 /nfs/dbraw/zinc/84/58/42/686845842.db2.gz XZMDVZWGNDYWSN-FUHWJXTLSA-N 0 3 300.446 3.001 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2sc(C)nc2C)CC[C@@H]1C ZINC001072055261 686850606 /nfs/dbraw/zinc/85/06/06/686850606.db2.gz RLXAPWJNTHAAMZ-SWLSCSKDSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072113249 686874400 /nfs/dbraw/zinc/87/44/00/686874400.db2.gz RVKIBQGABXLNIU-QWHCGFSZSA-N 0 3 310.438 3.436 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cccc2F)CC[C@@H]1C ZINC001072116242 686875193 /nfs/dbraw/zinc/87/51/93/686875193.db2.gz KBMBZYPENYMBCJ-LSDHHAIUSA-N 0 3 304.409 3.293 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001073144192 687019349 /nfs/dbraw/zinc/01/93/49/687019349.db2.gz YWZBFMZYSOTCOG-UHFFFAOYSA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3C3CCC3)C2)C1 ZINC001073156236 687020715 /nfs/dbraw/zinc/02/07/15/687020715.db2.gz LOPKAFBNBQTCOZ-UHFFFAOYSA-N 0 3 310.441 3.288 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc4ccccc4c3)C2)C1 ZINC001073414515 687191309 /nfs/dbraw/zinc/19/13/09/687191309.db2.gz FPWBNUCTAZESEA-UHFFFAOYSA-N 0 3 320.436 3.103 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001073450574 687195359 /nfs/dbraw/zinc/19/53/59/687195359.db2.gz ATHWDCVAINSKPO-SFHVURJKSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(C)C)s3)C2)C1 ZINC001073469758 687200093 /nfs/dbraw/zinc/20/00/93/687200093.db2.gz IENVMINIJLCZPK-UHFFFAOYSA-N 0 3 304.459 3.205 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC001073474044 687202846 /nfs/dbraw/zinc/20/28/46/687202846.db2.gz USZGZJHOORUESO-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3coc4c3cccc4C)[C@@H]2C1 ZINC001075887465 687452526 /nfs/dbraw/zinc/45/25/26/687452526.db2.gz OQXDXKYFDGUCFH-MAUKXSAKSA-N 0 3 324.424 3.464 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cscc3Cl)[C@@H]2C1 ZINC001075919388 687455142 /nfs/dbraw/zinc/45/51/42/687455142.db2.gz JCXWBDJXWRNLLS-SMDDNHRTSA-N 0 3 310.850 3.124 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCCCCCC3)[C@@H]2C1 ZINC001076023887 687466839 /nfs/dbraw/zinc/46/68/39/687466839.db2.gz JBUUPQHWQLXORG-ZWKOTPCHSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001076204058 687495454 /nfs/dbraw/zinc/49/54/54/687495454.db2.gz PTJBGGVTANYUGN-UKPHBRMFSA-N 0 3 318.848 3.162 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001076323306 687507890 /nfs/dbraw/zinc/50/78/90/687507890.db2.gz MMOVUGOMXSEMDT-JENIJYKNSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001076372423 687515848 /nfs/dbraw/zinc/51/58/48/687515848.db2.gz ABHLXQJCVDQYOI-RVKKMQEKSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076461223 687526350 /nfs/dbraw/zinc/52/63/50/687526350.db2.gz WRYMSAQAMKADNW-YESZJQIVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC001076487718 687528434 /nfs/dbraw/zinc/52/84/34/687528434.db2.gz MBBGBFAFFCXFGO-DZGCQCFKSA-N 0 3 324.346 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccsc2)C12CCC2 ZINC001078543318 687679789 /nfs/dbraw/zinc/67/97/89/687679789.db2.gz NBZNEVIXPZZKGE-KBPBESRZSA-N 0 3 324.877 3.060 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CCCC2)C12CCC2 ZINC001078541149 687679824 /nfs/dbraw/zinc/67/98/24/687679824.db2.gz LZTBGCOCWQDWLB-GJZGRUSLSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC(C)(C)C2)C12CCC2 ZINC001078617242 687690004 /nfs/dbraw/zinc/69/00/04/687690004.db2.gz JGLWQBFJUMSOMC-UONOGXRCSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccsc2C)C12CCC2 ZINC001078619268 687690742 /nfs/dbraw/zinc/69/07/42/687690742.db2.gz GJSQWUIXRBLASY-UONOGXRCSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001079746183 687884622 /nfs/dbraw/zinc/88/46/22/687884622.db2.gz GHMMMZCSUXOEKM-MLGOLLRUSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001080150681 687923459 /nfs/dbraw/zinc/92/34/59/687923459.db2.gz PDDWENPAUYNRBR-CRAIPNDOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001080503307 687987984 /nfs/dbraw/zinc/98/79/84/687987984.db2.gz NCWGLLPFNAFCCO-MLGOLLRUSA-N 0 3 324.827 3.034 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001080584557 687997492 /nfs/dbraw/zinc/99/74/92/687997492.db2.gz CXMAJNHMWOPWLL-QXCFHYIPSA-N 0 3 312.457 3.029 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001080782733 688011913 /nfs/dbraw/zinc/01/19/13/688011913.db2.gz ZCSOBMWWXNIWMQ-OXQOHEQNSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC001080836591 688018122 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C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001661977408 1196668688 /nfs/dbraw/zinc/66/86/88/1196668688.db2.gz LMBIHSCNUICPPC-IAGOWNOFSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCc1cc(F)cc(F)c1 ZINC001662303175 1196705306 /nfs/dbraw/zinc/70/53/06/1196705306.db2.gz IJDURGDATDJJRY-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CC[N@H+](Cc1ccc(Cl)cc1-c1nnn[n-]1)C(C)(C)C ZINC001588635761 1192451103 /nfs/dbraw/zinc/45/11/03/1192451103.db2.gz UDIOCWALCDEKAF-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN C=CC[N@@H+](Cc1ccc(Cl)cc1-c1nnn[n-]1)C(C)(C)C ZINC001588635761 1192451106 /nfs/dbraw/zinc/45/11/06/1192451106.db2.gz UDIOCWALCDEKAF-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN C=CC[N@H+](Cc1ccc(Cl)cc1-c1nn[n-]n1)C(C)(C)C ZINC001588635761 1192451109 /nfs/dbraw/zinc/45/11/09/1192451109.db2.gz UDIOCWALCDEKAF-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN C=CC[N@@H+](Cc1ccc(Cl)cc1-c1nn[n-]n1)C(C)(C)C ZINC001588635761 1192451112 /nfs/dbraw/zinc/45/11/12/1192451112.db2.gz UDIOCWALCDEKAF-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H](CC)C(C)C)C1 ZINC001664685335 1197035330 /nfs/dbraw/zinc/03/53/30/1197035330.db2.gz AEHCGVYHVPRDCV-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C#Cc1ccc(CNCc2c[nH]nc2-c2ccccc2F)cc1 ZINC001620942862 1192639069 /nfs/dbraw/zinc/63/90/69/1192639069.db2.gz YQERFOZVYLFUPR-UHFFFAOYSA-N 0 3 305.356 3.487 20 30 DGEDHN C=CCCCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001594720271 1192647313 /nfs/dbraw/zinc/64/73/13/1192647313.db2.gz HLOMGRSOVPNJHX-LSDHHAIUSA-N 0 3 317.481 3.041 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001665618097 1197159579 /nfs/dbraw/zinc/15/95/79/1197159579.db2.gz VSXVHVZMTILWGI-ZDUSSCGKSA-N 0 3 306.372 3.218 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001670475481 1176148380 /nfs/dbraw/zinc/14/83/80/1176148380.db2.gz RZYZNKLOXPLQNP-KRWDZBQOSA-N 0 3 304.409 3.166 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001670630862 1176195211 /nfs/dbraw/zinc/19/52/11/1176195211.db2.gz TZBOWCFDRHNDQP-SFHVURJKSA-N 0 3 312.457 3.188 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc[nH]c1C ZINC001691991762 1176222236 /nfs/dbraw/zinc/22/22/36/1176222236.db2.gz GCPNVWBPZDBIBS-LRDDRELGSA-N 0 3 323.868 3.296 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001670707063 1176225677 /nfs/dbraw/zinc/22/56/77/1176225677.db2.gz JTHPYBGZZSTQIO-KXBFYZLASA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001670719121 1176232277 /nfs/dbraw/zinc/23/22/77/1176232277.db2.gz KQOCQNGALBNWCF-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001670724276 1176234932 /nfs/dbraw/zinc/23/49/32/1176234932.db2.gz GUPYZQLKYCPZFG-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001670730263 1176251006 /nfs/dbraw/zinc/25/10/06/1176251006.db2.gz VTLWVYKCAMTSLM-PELRDEGISA-N 0 3 324.468 3.265 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C(F)(F)F ZINC001691053107 1176279070 /nfs/dbraw/zinc/27/90/70/1176279070.db2.gz KHYUJIVMFVSGRU-KBPBESRZSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001691066992 1176290799 /nfs/dbraw/zinc/29/07/99/1176290799.db2.gz ZIUNIHXPMMPNCW-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCCCC)CCOCC1 ZINC001691069441 1176292995 /nfs/dbraw/zinc/29/29/95/1176292995.db2.gz YPZJMWHFDPHXJG-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001691072165 1176293740 /nfs/dbraw/zinc/29/37/40/1176293740.db2.gz VBXKYDPOPWKCMW-DZGCQCFKSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001691071150 1176293814 /nfs/dbraw/zinc/29/38/14/1176293814.db2.gz BDVRGFHKZQOXRK-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@H](C)F)CCCC1 ZINC001691074509 1176296017 /nfs/dbraw/zinc/29/60/17/1176296017.db2.gz BSMCZTSISJVOTQ-JKSUJKDBSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cncc2ccccc21 ZINC001691076192 1176297490 /nfs/dbraw/zinc/29/74/90/1176297490.db2.gz ZEUNNZCKDIGXMS-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cncc2ccccc21 ZINC001691076193 1176297832 /nfs/dbraw/zinc/29/78/32/1176297832.db2.gz ZEUNNZCKDIGXMS-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1CCc1ccccc1F ZINC001691082447 1176299956 /nfs/dbraw/zinc/29/99/56/1176299956.db2.gz JYKJTZLSILZYOI-QGZVFWFLSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001691107757 1176318505 /nfs/dbraw/zinc/31/85/05/1176318505.db2.gz OTIMHTOFJVBKLY-XBXGTLAGSA-N 0 3 322.399 3.161 20 30 DGEDHN CCCN(CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ccc(F)c(F)c1 ZINC001691177861 1176362669 /nfs/dbraw/zinc/36/26/69/1176362669.db2.gz STOHNXLIXXBDCH-QWHCGFSZSA-N 0 3 323.387 3.014 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1C(C)(C)C ZINC001691183877 1176368197 /nfs/dbraw/zinc/36/81/97/1176368197.db2.gz RPUUZSBHUKBJJD-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C(C)(F)F ZINC001691289748 1176427103 /nfs/dbraw/zinc/42/71/03/1176427103.db2.gz QGDAUAMDUJFURX-ZYHUDNBSSA-N 0 3 308.800 3.001 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)/C=C\c1ccco1)c1ccccc1 ZINC001691773095 1176436410 /nfs/dbraw/zinc/43/64/10/1176436410.db2.gz UPSOVAPRISDOEY-RXQFDZFGSA-N 0 3 310.397 3.316 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCOC(C)C)[C@@H]2C)CCCC1 ZINC001691773484 1176465637 /nfs/dbraw/zinc/46/56/37/1176465637.db2.gz IWGOTGVGLUBHQE-SJORKVTESA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001691406477 1176472233 /nfs/dbraw/zinc/47/22/33/1176472233.db2.gz OBQBDVAATJNRPC-DZGCQCFKSA-N 0 3 319.449 3.046 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(C(F)F)CCC1)c1ccccc1 ZINC001267369936 1176624137 /nfs/dbraw/zinc/62/41/37/1176624137.db2.gz KBFGGSBFAAXVGW-CQSZACIVSA-N 0 3 308.372 3.055 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001752133099 1176674432 /nfs/dbraw/zinc/67/44/32/1176674432.db2.gz ZSXOKHGIWRGQDG-IUODEOHRSA-N 0 3 310.825 3.313 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2sccc2Cl)C1 ZINC001754726634 1176676582 /nfs/dbraw/zinc/67/65/82/1176676582.db2.gz FACGBXGQWNUVPF-OAHLLOKOSA-N 0 3 312.866 3.419 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C\Cl)C1 ZINC001754787081 1176688087 /nfs/dbraw/zinc/68/80/87/1176688087.db2.gz GDBMTHUIDOAFGP-VKXYGBLQSA-N 0 3 305.249 3.098 20 30 DGEDHN Cc1cc(Cl)ccc1CNC1(CNC(=O)C#CC(C)C)CC1 ZINC001670777435 1176816513 /nfs/dbraw/zinc/81/65/13/1176816513.db2.gz YFEADHLMJNKVCC-UHFFFAOYSA-N 0 3 318.848 3.046 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(CCC)cc1)C1CC1 ZINC001713561400 1176830961 /nfs/dbraw/zinc/83/09/61/1176830961.db2.gz PEZXKJDFJVDEGS-UHFFFAOYSA-N 0 3 300.446 3.409 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CC1(F)F)c1ccc(C(C)C)cc1 ZINC001691766871 1176840415 /nfs/dbraw/zinc/84/04/15/1176840415.db2.gz FTLBGBCGSGUYAP-JKSUJKDBSA-N 0 3 322.399 3.398 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)c1F ZINC001755254012 1176872993 /nfs/dbraw/zinc/87/29/93/1176872993.db2.gz LSJJYQHLLVHLJA-CHWSQXEVSA-N 0 3 324.827 3.121 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cccc(C(F)F)c1 ZINC001753858019 1176973019 /nfs/dbraw/zinc/97/30/19/1176973019.db2.gz KUZUBHRPTWJSMD-UHFFFAOYSA-N 0 3 310.388 3.133 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)[C@H](C)c1cccc(F)c1 ZINC001753860865 1176977302 /nfs/dbraw/zinc/97/73/02/1176977302.db2.gz MMIQJRAGAZYZKQ-MRXNPFEDSA-N 0 3 318.436 3.471 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2F)[C@H]1CC ZINC001691504996 1177007450 /nfs/dbraw/zinc/00/74/50/1177007450.db2.gz QHWHNKGULPMAPN-FHLIZLRMSA-N 0 3 318.436 3.474 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(C)s1)C1CC1 ZINC001665974672 1197223538 /nfs/dbraw/zinc/22/35/38/1197223538.db2.gz JITPGXFDKWIKJD-HNNXBMFYSA-N 0 3 312.866 3.297 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CCCCC(C)(C)C)C1 ZINC001752782835 1177069381 /nfs/dbraw/zinc/06/93/81/1177069381.db2.gz BILNGAZAAUPBES-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001665974683 1197223231 /nfs/dbraw/zinc/22/32/31/1197223231.db2.gz JOAKUISDOLWYTB-MRXNPFEDSA-N 0 3 310.800 3.066 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC001670820672 1177162583 /nfs/dbraw/zinc/16/25/83/1177162583.db2.gz YPOGOYBCWUXVKG-UHFFFAOYSA-N 0 3 310.441 3.220 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc(CF)cc3)CC2)C1 ZINC001670850690 1177230648 /nfs/dbraw/zinc/23/06/48/1177230648.db2.gz RELWMVGPOIRLNP-UHFFFAOYSA-N 0 3 316.420 3.251 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@@H](CC)C(C)C)CC2)CC1 ZINC001755869493 1177292109 /nfs/dbraw/zinc/29/21/09/1177292109.db2.gz IGSCQSLJEHLMNM-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC[C@H](C(=O)NCC1(NC/C=C\Cl)CC1)c1ccccc1 ZINC001670903405 1177524152 /nfs/dbraw/zinc/52/41/52/1177524152.db2.gz JCUYSSASAAZDSD-VDTUPGDHSA-N 0 3 318.848 3.337 20 30 DGEDHN CCCCC(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001671398713 1177546253 /nfs/dbraw/zinc/54/62/53/1177546253.db2.gz RHMLERFKVHDNBL-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1F ZINC001691661301 1177604418 /nfs/dbraw/zinc/60/44/18/1177604418.db2.gz QABLNLVYRRCNEC-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)CC1 ZINC001275479881 1177930493 /nfs/dbraw/zinc/93/04/93/1177930493.db2.gz CXSPVFDDVVGCRI-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001110934378 1177944644 /nfs/dbraw/zinc/94/46/44/1177944644.db2.gz BEBUCIJTSGDSEI-MLHJIOFPSA-N 0 3 322.493 3.127 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001330992146 1178108034 /nfs/dbraw/zinc/10/80/34/1178108034.db2.gz VCXFYGJXDVIVOT-NWDGAFQWSA-N 0 3 317.286 3.219 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2ncccc2C)CC1 ZINC001331549474 1178243725 /nfs/dbraw/zinc/24/37/25/1178243725.db2.gz YMFNPLWQNMKXRI-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cnccc2C)CCC1 ZINC001331549159 1178244071 /nfs/dbraw/zinc/24/40/71/1178244071.db2.gz UZHWCXOAOQUAMW-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN Cc1ccc(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)cc1 ZINC001331614452 1178260332 /nfs/dbraw/zinc/26/03/32/1178260332.db2.gz XRKSGUPTHQUICP-SFHVURJKSA-N 0 3 320.436 3.097 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C)c(C)c1Cl ZINC001331617471 1178261157 /nfs/dbraw/zinc/26/11/57/1178261157.db2.gz UVFPDCGBAPAOMI-CYBMUJFWSA-N 0 3 306.837 3.030 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C(CC)(CC)c1ccccc1 ZINC001331644669 1178266966 /nfs/dbraw/zinc/26/69/66/1178266966.db2.gz QLFNSGRDTSGTQK-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001331919737 1178308275 /nfs/dbraw/zinc/30/82/75/1178308275.db2.gz OTNKGDLEANCENC-CHWSQXEVSA-N 0 3 317.260 3.078 20 30 DGEDHN C=CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001331953564 1178318927 /nfs/dbraw/zinc/31/89/27/1178318927.db2.gz KRMGLHJRTWLMQV-JKSUJKDBSA-N 0 3 316.445 3.331 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001331974650 1178325696 /nfs/dbraw/zinc/32/56/96/1178325696.db2.gz FNOAIOJEUQUSJY-GOEBONIOSA-N 0 3 318.848 3.223 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@@H]1C ZINC001331990583 1178329566 /nfs/dbraw/zinc/32/95/66/1178329566.db2.gz KFQIOOVYYJVBIC-ZFWWWQNUSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CC[C@@H](C)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC001332266229 1178407899 /nfs/dbraw/zinc/40/78/99/1178407899.db2.gz GREATGPOGZAPSX-OAHLLOKOSA-N 0 3 317.429 3.012 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CC(CC3CCOCC3)C2)cc1 ZINC001332723217 1178481414 /nfs/dbraw/zinc/48/14/14/1178481414.db2.gz DOUHXKIVPJFSEW-HNNXBMFYSA-N 0 3 314.429 3.226 20 30 DGEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cncc(C#N)c1 ZINC001332736713 1178487007 /nfs/dbraw/zinc/48/70/07/1178487007.db2.gz WJDBRSLBZMDQHR-SJKOYZFVSA-N 0 3 315.804 3.472 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)c(C)s1)C(C)C ZINC001332740608 1178490426 /nfs/dbraw/zinc/49/04/26/1178490426.db2.gz OAECYURXQUTSBV-UHFFFAOYSA-N 0 3 306.475 3.171 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CCN(Cc2cncc(C)c2)CC1 ZINC001332985842 1178535318 /nfs/dbraw/zinc/53/53/18/1178535318.db2.gz VZTWWLSGSSOLRN-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4CCCC[C@H]4C3)C2=O)cc1 ZINC001334128870 1178724847 /nfs/dbraw/zinc/72/48/47/1178724847.db2.gz NWVQSLUKNCQRQO-LNLFQRSKSA-N 0 3 323.440 3.176 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC001341422046 1179006232 /nfs/dbraw/zinc/00/62/32/1179006232.db2.gz IKCRAVYFGHJBGK-MRXNPFEDSA-N 0 3 319.449 3.110 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC001341431377 1179007758 /nfs/dbraw/zinc/00/77/58/1179007758.db2.gz WDWQVHOBUIUULU-KRWDZBQOSA-N 0 3 322.399 3.354 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC001341490722 1179018128 /nfs/dbraw/zinc/01/81/28/1179018128.db2.gz NGZBSFWXZDPUPO-OAHLLOKOSA-N 0 3 319.449 3.144 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ncccc1C)C(C)(C)C ZINC001341525258 1179022544 /nfs/dbraw/zinc/02/25/44/1179022544.db2.gz DZEOLRXDHSQEID-JSGCOSHPSA-N 0 3 309.841 3.063 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC001341616291 1179038558 /nfs/dbraw/zinc/03/85/58/1179038558.db2.gz QYIIECOMMBSBGC-IKGGRYGDSA-N 0 3 310.482 3.092 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC001341616293 1179039606 /nfs/dbraw/zinc/03/96/06/1179039606.db2.gz QYIIECOMMBSBGC-ULQDDVLXSA-N 0 3 310.482 3.092 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1sc(CC)nc1C ZINC001341714229 1179052307 /nfs/dbraw/zinc/05/23/07/1179052307.db2.gz MZKSDEFMOXGSOX-OLZOCXBDSA-N 0 3 309.479 3.217 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC001341860117 1179072878 /nfs/dbraw/zinc/07/28/78/1179072878.db2.gz FOIDKHQVOMVYTC-YESZJQIVSA-N 0 3 312.498 3.384 20 30 DGEDHN CCC[N@H+](CC)Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1 ZINC001342268003 1179124136 /nfs/dbraw/zinc/12/41/36/1179124136.db2.gz JFYQUDZSTXRJIC-QGZVFWFLSA-N 0 3 324.428 3.142 20 30 DGEDHN CCC[N@@H+](CC)Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1 ZINC001342268003 1179124141 /nfs/dbraw/zinc/12/41/41/1179124141.db2.gz JFYQUDZSTXRJIC-QGZVFWFLSA-N 0 3 324.428 3.142 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccc(Cl)cc1 ZINC001342277698 1179125586 /nfs/dbraw/zinc/12/55/86/1179125586.db2.gz PNFUVFRMTXLZAQ-CQSZACIVSA-N 0 3 301.777 3.273 20 30 DGEDHN CC(C)C1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)COC1 ZINC001342505867 1179146980 /nfs/dbraw/zinc/14/69/80/1179146980.db2.gz MSXDZCUJBVXVKK-NSHDSACASA-N 0 3 318.373 3.284 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC001342675340 1179172847 /nfs/dbraw/zinc/17/28/47/1179172847.db2.gz SOKZOXXZLTXLAD-OAHLLOKOSA-N 0 3 306.837 3.128 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC001343446048 1179276665 /nfs/dbraw/zinc/27/66/65/1179276665.db2.gz YZPYIHAULLRVGR-QAPCUYQASA-N 0 3 315.461 3.148 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)c1 ZINC001343492209 1179284795 /nfs/dbraw/zinc/28/47/95/1179284795.db2.gz VXAJUEPCLOGQKD-XJKSGUPXSA-N 0 3 312.369 3.089 20 30 DGEDHN Cc1cc(C)n(CCCC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC001343704925 1179320272 /nfs/dbraw/zinc/32/02/72/1179320272.db2.gz NCCRBDBUQRPTBM-AWEZNQCLSA-N 0 3 322.368 3.298 20 30 DGEDHN C=C(C)CN(CC)c1nnc([C@H]2CCCN(C)C2)n1CC(=C)C ZINC001343787466 1179332035 /nfs/dbraw/zinc/33/20/35/1179332035.db2.gz PMIZQYNPJHGDKI-INIZCTEOSA-N 0 3 317.481 3.066 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1sc(C)nc1CC(C)C ZINC001344325645 1179414438 /nfs/dbraw/zinc/41/44/38/1179414438.db2.gz ADXYEIZWWLOBLD-GFCCVEGCSA-N 0 3 316.430 3.357 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344868774 1179488770 /nfs/dbraw/zinc/48/87/70/1179488770.db2.gz GKRDKFOAYGJLNL-MHORFTMASA-N 0 3 324.424 3.180 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCSc1ccc(F)cc1 ZINC001344874493 1179489875 /nfs/dbraw/zinc/48/98/75/1179489875.db2.gz BKTKLALYFYVHKW-CQSZACIVSA-N 0 3 317.389 3.401 20 30 DGEDHN CCCCCCCCCCC(=O)N1CCC2(CC1)CNCCO2 ZINC001345120413 1179528520 /nfs/dbraw/zinc/52/85/20/1179528520.db2.gz ROEMSUVIASYAQQ-UHFFFAOYSA-N 0 3 324.509 3.498 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001345622348 1179581284 /nfs/dbraw/zinc/58/12/84/1179581284.db2.gz ZIIFVUFBZBBVKX-DGCLKSJQSA-N 0 3 318.327 3.001 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1cc(C)ccc1C ZINC001345646259 1179586757 /nfs/dbraw/zinc/58/67/57/1179586757.db2.gz HTCWRSXRALPNMC-HNNXBMFYSA-N 0 3 311.385 3.165 20 30 DGEDHN C#CCC[C@H](O)CNCc1ccc(-c2ccc(F)cc2C)o1 ZINC001621052421 1192969553 /nfs/dbraw/zinc/96/95/53/1192969553.db2.gz WJDPYKNEIDMAEB-HNNXBMFYSA-N 0 3 301.361 3.258 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001346085544 1179650859 /nfs/dbraw/zinc/65/08/59/1179650859.db2.gz GHVQSEGGMPJMJX-RTBURBONSA-N 0 3 308.425 3.375 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC001346095476 1179651944 /nfs/dbraw/zinc/65/19/44/1179651944.db2.gz FAQDGQVIXKQHQE-RHSMWYFYSA-N 0 3 307.397 3.274 20 30 DGEDHN C=CC1(CC(=O)C(C#N)C(=O)Nc2ccccn2)CCCCC1 ZINC001346536991 1179717861 /nfs/dbraw/zinc/71/78/61/1179717861.db2.gz FKOJMBAKWFXOQF-AWEZNQCLSA-N 0 3 311.385 3.256 20 30 DGEDHN Fc1cc(CNCCOC(F)(F)C(F)(F)F)cc(F)c1F ZINC001621055353 1192979892 /nfs/dbraw/zinc/97/98/92/1192979892.db2.gz YFOSKWNOMSUVDQ-UHFFFAOYSA-N 0 3 323.183 3.365 20 30 DGEDHN N#CC(C(=O)C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076482 1179774167 /nfs/dbraw/zinc/77/41/67/1179774167.db2.gz RZIKIRABSCSIEO-KBOKABMXSA-N 0 3 317.348 3.414 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001479996747 1179989182 /nfs/dbraw/zinc/98/91/82/1179989182.db2.gz UJSZNIKMMDLUIS-BKPSIGNASA-N 0 3 316.489 3.168 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602773028 1192996853 /nfs/dbraw/zinc/99/68/53/1192996853.db2.gz JMPCWRGCXFWJHH-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602773028 1192996855 /nfs/dbraw/zinc/99/68/55/1192996855.db2.gz JMPCWRGCXFWJHH-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602773028 1192996863 /nfs/dbraw/zinc/99/68/63/1192996863.db2.gz JMPCWRGCXFWJHH-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602773028 1192996866 /nfs/dbraw/zinc/99/68/66/1192996866.db2.gz JMPCWRGCXFWJHH-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602834365 1192999281 /nfs/dbraw/zinc/99/92/81/1192999281.db2.gz QXYXVSIWXYGZMX-SUMWQHHRSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602834365 1192999288 /nfs/dbraw/zinc/99/92/88/1192999288.db2.gz QXYXVSIWXYGZMX-SUMWQHHRSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCCC(=O)NCC1CC(N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001100169388 1180417225 /nfs/dbraw/zinc/41/72/25/1180417225.db2.gz PNPGYMHUJXETCM-OPFPJEHXSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC001353247902 1180509128 /nfs/dbraw/zinc/50/91/28/1180509128.db2.gz DQBCDGQXJZFWEH-GOSISDBHSA-N 0 3 322.493 3.258 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC001353247908 1180509135 /nfs/dbraw/zinc/50/91/35/1180509135.db2.gz DQBCDGQXJZFWEH-SFHVURJKSA-N 0 3 322.493 3.258 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC001353291798 1180519711 /nfs/dbraw/zinc/51/97/11/1180519711.db2.gz RSLOVPXZLQWASL-AWEZNQCLSA-N 0 3 321.446 3.082 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001480467316 1180527521 /nfs/dbraw/zinc/52/75/21/1180527521.db2.gz YSLDSXDOKPFEMG-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN CC(C)C#CC(=O)NCC1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001100304621 1180552613 /nfs/dbraw/zinc/55/26/13/1180552613.db2.gz FSNAGBLFDJQQQO-FHERZECASA-N 0 3 316.420 3.031 20 30 DGEDHN CCCCCCCCCNC(=S)N[C@H]1CN2CCC1CC2 ZINC001200378548 1180589897 /nfs/dbraw/zinc/58/98/97/1180589897.db2.gz VNCMKLFNBKGRHI-INIZCTEOSA-N 0 3 311.539 3.295 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001480533521 1180618218 /nfs/dbraw/zinc/61/82/18/1180618218.db2.gz KLKUZHXZLQVHSK-STQMWFEESA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001100392604 1180643788 /nfs/dbraw/zinc/64/37/88/1180643788.db2.gz QMFZREYHFHZMJV-HIFPTAJRSA-N 0 3 320.811 3.049 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN(Cc2ccccn2)C2CC2)cc1 ZINC001354469915 1180803266 /nfs/dbraw/zinc/80/32/66/1180803266.db2.gz SDOJXDBUZPRWBL-UHFFFAOYSA-N 0 3 319.408 3.056 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2cc(F)ccc2F)C1 ZINC001100623367 1180859862 /nfs/dbraw/zinc/85/98/62/1180859862.db2.gz KVEVJXVVVYPWJA-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@H](N)CCCCC#N ZINC001356293202 1181170738 /nfs/dbraw/zinc/17/07/38/1181170738.db2.gz BWYCZAATUOKXKW-IAGOWNOFSA-N 0 3 317.433 3.016 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C ZINC001357809982 1181430221 /nfs/dbraw/zinc/43/02/21/1181430221.db2.gz AWLCJBPXXVZJFS-MRXNPFEDSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)N2C[C@H](C)OC(C)(C)C2)CCCC1(C)C ZINC001473432484 1181526865 /nfs/dbraw/zinc/52/68/65/1181526865.db2.gz MOTHELHSDBHXNS-HOTGVXAUSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CC1(CC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)CCCCC1 ZINC001447108095 1182183416 /nfs/dbraw/zinc/18/34/16/1182183416.db2.gz SWYGDBPCXXLRRG-CABCVRRESA-N 0 3 310.507 3.017 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1ccccc1F ZINC001448881925 1182217221 /nfs/dbraw/zinc/21/72/21/1182217221.db2.gz HNSMRECCVZTTMF-HNNXBMFYSA-N 0 3 306.425 3.286 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc(-c2cccc(C)c2)ns1 ZINC001458454026 1182526398 /nfs/dbraw/zinc/52/63/98/1182526398.db2.gz FVHRSXDFXICJLZ-UHFFFAOYSA-N 0 3 316.474 3.458 20 30 DGEDHN N#Cc1ccc(F)cc1NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001458604162 1182543550 /nfs/dbraw/zinc/54/35/50/1182543550.db2.gz NGOUNSSSJOWZFE-YJBOKZPZSA-N 0 3 317.408 3.000 20 30 DGEDHN CO[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1(C)C ZINC001460123529 1182654489 /nfs/dbraw/zinc/65/44/89/1182654489.db2.gz PUZNJGWNASUTBZ-GJZGRUSLSA-N 0 3 311.347 3.460 20 30 DGEDHN C=CCN(CCOc1ccc(F)cc1Cl)[C@@H](C)COC ZINC001460408545 1182686784 /nfs/dbraw/zinc/68/67/84/1182686784.db2.gz NJQSVWOIXUDUJU-LBPRGKRZSA-N 0 3 301.789 3.381 20 30 DGEDHN Cc1ccc2c(ccc(C)c2CN2CCN(CCC#N)CC2)c1 ZINC001460655096 1182705130 /nfs/dbraw/zinc/70/51/30/1182705130.db2.gz HSMDPADYTLYDHE-UHFFFAOYSA-N 0 3 307.441 3.488 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001460758185 1182718765 /nfs/dbraw/zinc/71/87/65/1182718765.db2.gz KXVCOUQJCZWGEQ-MRXNPFEDSA-N 0 3 305.425 3.206 20 30 DGEDHN C=CCCCN(CC)CCCS(=O)(=O)c1ccc(C)cc1 ZINC001460903901 1182738441 /nfs/dbraw/zinc/73/84/41/1182738441.db2.gz ZZFFUPDKOPBOFJ-UHFFFAOYSA-N 0 3 309.475 3.447 20 30 DGEDHN C#C[C@H](NCc1ccc(I)s1)C(C)C ZINC001462224841 1182926718 /nfs/dbraw/zinc/92/67/18/1182926718.db2.gz SETWOTCSTBHNPE-JTQLQIEISA-N 0 3 319.211 3.100 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001466914718 1183229770 /nfs/dbraw/zinc/22/97/70/1183229770.db2.gz GKJNOIYVOOSDPH-KRWDZBQOSA-N 0 3 304.434 3.109 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCCN1C ZINC001471508453 1183570312 /nfs/dbraw/zinc/57/03/12/1183570312.db2.gz DRISSZSBKMHKAS-INIZCTEOSA-N 0 3 319.424 3.008 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001473267885 1183737552 /nfs/dbraw/zinc/73/75/52/1183737552.db2.gz KNSXSWPFDHNIOX-CYBMUJFWSA-N 0 3 319.836 3.187 20 30 DGEDHN CCN(CC)C(=O)OC[C@H]1CCCCN1CCC(C)(C)C#N ZINC001473448732 1183758304 /nfs/dbraw/zinc/75/83/04/1183758304.db2.gz BXAPARQCMYIEDO-OAHLLOKOSA-N 0 3 309.454 3.259 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001473842893 1183810944 /nfs/dbraw/zinc/81/09/44/1183810944.db2.gz GNBSJQBDVONHFR-LPPNQSFOSA-N 0 3 323.440 3.253 20 30 DGEDHN C#CCOc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1 ZINC001474151194 1183874824 /nfs/dbraw/zinc/87/48/24/1183874824.db2.gz KZDRQFWAUYQBNH-UHFFFAOYSA-N 0 3 317.392 3.379 20 30 DGEDHN Cc1c[nH]c(=O)c(CNCc2cccc(OCCCC#N)c2)c1 ZINC001474288680 1183896781 /nfs/dbraw/zinc/89/67/81/1183896781.db2.gz GSZPQIKEUMSWOX-UHFFFAOYSA-N 0 3 311.385 3.068 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C1(CC)CC ZINC001474325590 1183904943 /nfs/dbraw/zinc/90/49/43/1183904943.db2.gz GSKBZBBWUPWFKM-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCN(C(C)(C)C)CC1 ZINC001474362521 1183910357 /nfs/dbraw/zinc/91/03/57/1183910357.db2.gz RZFLIAULEBKRSR-UHFFFAOYSA-N 0 3 320.864 3.268 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@H]2CCN2CCCF)CCCCC1 ZINC001479252224 1184218880 /nfs/dbraw/zinc/21/88/80/1184218880.db2.gz LLJYXVASMCAZFC-MRXNPFEDSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001479260490 1184221809 /nfs/dbraw/zinc/22/18/09/1184221809.db2.gz JJEKPYQCXSUINK-GOSISDBHSA-N 0 3 314.473 3.381 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001479502165 1184261269 /nfs/dbraw/zinc/26/12/69/1184261269.db2.gz NBQNQNDWXUCPCE-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC1(C)CC1 ZINC001479615655 1184275871 /nfs/dbraw/zinc/27/58/71/1184275871.db2.gz XDUMKQSEZQIWAB-BPQIPLTHSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)OC2CCCC2)[C@H]1CC ZINC001479643242 1184282269 /nfs/dbraw/zinc/28/22/69/1184282269.db2.gz UFAHWCBFWPUOPD-RCCFBDPRSA-N 0 3 322.493 3.269 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001479714579 1184297250 /nfs/dbraw/zinc/29/72/50/1184297250.db2.gz LXPPUYIALCKNAE-PBHICJAKSA-N 0 3 318.436 3.447 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)[C@H]1C ZINC001479720479 1184299379 /nfs/dbraw/zinc/29/93/79/1184299379.db2.gz BDLFVODHASDXFM-VBQJREDUSA-N 0 3 320.864 3.284 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1F ZINC001479734769 1184304990 /nfs/dbraw/zinc/30/49/90/1184304990.db2.gz IGDLJKAPLVNEAK-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccccc1 ZINC001479738830 1184307716 /nfs/dbraw/zinc/30/77/16/1184307716.db2.gz LAMZTHWUKUDFQU-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCC[C@H]3c3ccccc3)C2)C1 ZINC001479758401 1184314622 /nfs/dbraw/zinc/31/46/22/1184314622.db2.gz HFFZIDOBDCBDKA-OALUTQOASA-N 0 3 324.468 3.291 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cnoc1C ZINC001479827073 1184339715 /nfs/dbraw/zinc/33/97/15/1184339715.db2.gz WANOWRAWMYVFSZ-WMLDXEAASA-N 0 3 319.449 3.199 20 30 DGEDHN CCCC(=O)NCCCN(CC)CC#Cc1cccc(Cl)c1 ZINC001479832668 1184342878 /nfs/dbraw/zinc/34/28/78/1184342878.db2.gz XJDOBLXQIGHUNT-UHFFFAOYSA-N 0 3 320.864 3.320 20 30 DGEDHN CC#CCN(CCCNC(=O)c1c(C)cc(C)cc1C)C1CC1 ZINC001479880148 1184361987 /nfs/dbraw/zinc/36/19/87/1184361987.db2.gz PMQXZGKFWQLORL-UHFFFAOYSA-N 0 3 312.457 3.219 20 30 DGEDHN CC[C@H](C)C(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001479883262 1184364402 /nfs/dbraw/zinc/36/44/02/1184364402.db2.gz FPLRMFBCUZOTKG-HNNXBMFYSA-N 0 3 313.445 3.027 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC001479900673 1184369602 /nfs/dbraw/zinc/36/96/02/1184369602.db2.gz XPDGXUAZUOLSIU-QAPCUYQASA-N 0 3 321.424 3.080 20 30 DGEDHN CCC/C=C/CCN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479902773 1184372943 /nfs/dbraw/zinc/37/29/43/1184372943.db2.gz ATURJEBWUCCMAG-OZSKJFCKSA-N 0 3 304.478 3.363 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001479913989 1184381370 /nfs/dbraw/zinc/38/13/70/1184381370.db2.gz AMEJGRRULIDWFY-ROUUACIJSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001479965134 1184395869 /nfs/dbraw/zinc/39/58/69/1184395869.db2.gz MINZBNREJVOUBB-HOCLYGCPSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001479996692 1184407089 /nfs/dbraw/zinc/40/70/89/1184407089.db2.gz RCNRXUWWKNJHFC-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1cc2ccccc2o1)C1CC1 ZINC001480007117 1184409928 /nfs/dbraw/zinc/40/99/28/1184409928.db2.gz BFLQYSCBLKFEQK-QGZVFWFLSA-N 0 3 312.413 3.383 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](OCC)C(C)C ZINC001480096355 1184434746 /nfs/dbraw/zinc/43/47/46/1184434746.db2.gz ULQNOJURBAFFNO-KSZLIROESA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(F)F ZINC001480097028 1184434814 /nfs/dbraw/zinc/43/48/14/1184434814.db2.gz OBMVDCGBMZWBBV-GASCZTMLSA-N 0 3 314.420 3.453 20 30 DGEDHN C[C@@H](N[C@H]1C[C@H](NC(=O)C#CC2CC2)C1)c1ccccc1Cl ZINC001480139025 1184443193 /nfs/dbraw/zinc/44/31/93/1184443193.db2.gz MNGAWHBMVMOFLY-BPLDGKMQSA-N 0 3 316.832 3.051 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001480219995 1184462674 /nfs/dbraw/zinc/46/26/74/1184462674.db2.gz GLOSJQGXGUFGMX-IYBDPMFKSA-N 0 3 304.409 3.227 20 30 DGEDHN C=CCC1(C(=O)N2CCCC[C@@H]2CNC[C@H](F)CC)CCC1 ZINC001480358764 1184504526 /nfs/dbraw/zinc/50/45/26/1184504526.db2.gz FHIMNSMUOQGJCB-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccc(C(C)C)nc1C ZINC001480469544 1184534159 /nfs/dbraw/zinc/53/41/59/1184534159.db2.gz SXVSOZCAOJHGHM-OAHLLOKOSA-N 0 3 317.477 3.464 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2c(C)cccc2Cl)C1 ZINC001480614317 1184558776 /nfs/dbraw/zinc/55/87/76/1184558776.db2.gz PFZMQHMEDZLIGY-HNNXBMFYSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001480660088 1184568656 /nfs/dbraw/zinc/56/86/56/1184568656.db2.gz WKWKQNWQEBBFQR-GKWYLQRDSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)CC(C)C)cc1 ZINC001480708637 1184582892 /nfs/dbraw/zinc/58/28/92/1184582892.db2.gz QZRBUEWIGHXTPH-UHFFFAOYSA-N 0 3 308.853 3.234 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC001480742896 1184595954 /nfs/dbraw/zinc/59/59/54/1184595954.db2.gz RZIMJDNWAQZBNL-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C[C@@H](CCNC(=O)CCC1CCC1)NCc1ccccc1C#N ZINC001480757805 1184600291 /nfs/dbraw/zinc/60/02/91/1184600291.db2.gz JZOOHDULOLPSPN-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(c2ccccc2)CCC1 ZINC001480777722 1184604637 /nfs/dbraw/zinc/60/46/37/1184604637.db2.gz DAHGGRCUUFUZNE-HNNXBMFYSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)c2c1CCC2 ZINC001480812596 1184615231 /nfs/dbraw/zinc/61/52/31/1184615231.db2.gz RGBFOOMREWXUOB-CQSZACIVSA-N 0 3 320.864 3.334 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cncc2ccccc21 ZINC001480814091 1184615636 /nfs/dbraw/zinc/61/56/36/1184615636.db2.gz SVSRZDSLCUAKFV-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN Cc1ccc(CN2CCC[C@@H]2CNC(=O)C#CC(C)C)c(C)c1 ZINC001493095091 1184647189 /nfs/dbraw/zinc/64/71/89/1184647189.db2.gz BRWVAOAADCTLIE-LJQANCHMSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CCCN2CCOCC)CCCCC1 ZINC001493139475 1184656664 /nfs/dbraw/zinc/65/66/64/1184656664.db2.gz HJTLQMGWDWNSKP-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC1(C(=O)NCCN(CC#CC)CCC)CCCCC1 ZINC001493333822 1184688608 /nfs/dbraw/zinc/68/86/08/1184688608.db2.gz HTXFTJKSVGENSR-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001493334677 1184689312 /nfs/dbraw/zinc/68/93/12/1184689312.db2.gz WWZLOAAZKIGJQA-MRXNPFEDSA-N 0 3 318.436 3.171 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(C)CC1)c1ccc(C(C)C)cc1 ZINC001493879307 1184757038 /nfs/dbraw/zinc/75/70/38/1184757038.db2.gz WZAGIOKNZACXNK-GOSISDBHSA-N 0 3 312.457 3.380 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C[C@H]1CC=CCC1)c1ccccc1 ZINC001493898466 1184760937 /nfs/dbraw/zinc/76/09/37/1184760937.db2.gz UUJAXDNLVJUGPU-HKUYNNGSSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1 ZINC001493899574 1184761386 /nfs/dbraw/zinc/76/13/86/1184761386.db2.gz BYCPUMPIDDAQEA-IBGZPJMESA-N 0 3 323.440 3.140 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001493924053 1184765620 /nfs/dbraw/zinc/76/56/20/1184765620.db2.gz VFSKCNJCWFRUII-IYBDPMFKSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc3occc3[nH]2)C1 ZINC001493957548 1184776780 /nfs/dbraw/zinc/77/67/80/1184776780.db2.gz VOGDWHZDYQQFAE-AWEZNQCLSA-N 0 3 315.417 3.264 20 30 DGEDHN Cc1cccc([C@H](C)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)c1 ZINC001494271276 1184841662 /nfs/dbraw/zinc/84/16/62/1184841662.db2.gz ULJJNXPORFHPFE-QFBILLFUSA-N 0 3 310.441 3.050 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001494288224 1184845083 /nfs/dbraw/zinc/84/50/83/1184845083.db2.gz PBQUKQBEVOMNNV-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001494301348 1184848790 /nfs/dbraw/zinc/84/87/90/1184848790.db2.gz AEGVBTRIGBAMSV-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCCCCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001494545275 1184885123 /nfs/dbraw/zinc/88/51/23/1184885123.db2.gz DUBMXJBODYVSEM-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@@H](CC2CCCCC2)C(C)C)C1 ZINC001494598218 1184891713 /nfs/dbraw/zinc/89/17/13/1184891713.db2.gz DNINGXHSPBZLRH-IBGZPJMESA-N 0 3 318.505 3.300 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001494667403 1184902370 /nfs/dbraw/zinc/90/23/70/1184902370.db2.gz PIIVTHAIAIYZQL-SZMVWBNQSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1F ZINC001494683312 1184904815 /nfs/dbraw/zinc/90/48/15/1184904815.db2.gz MVNVJPFIWAMGLJ-QEJZJMRPSA-N 0 3 320.383 3.218 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001494865378 1184949184 /nfs/dbraw/zinc/94/91/84/1184949184.db2.gz WWKIMUKCKDREIR-STQMWFEESA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001494865375 1184949464 /nfs/dbraw/zinc/94/94/64/1184949464.db2.gz WWKIMUKCKDREIR-QWHCGFSZSA-N 0 3 306.372 3.074 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H]2CC)cc1 ZINC001495495791 1185064343 /nfs/dbraw/zinc/06/43/43/1185064343.db2.gz SOCPJIXLUABLLX-OALUTQOASA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](CC)CC(F)F)CC2 ZINC001495973936 1185119750 /nfs/dbraw/zinc/11/97/50/1185119750.db2.gz JJYVXYUEFZFHRB-AWEZNQCLSA-N 0 3 314.420 3.168 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001496040211 1185128864 /nfs/dbraw/zinc/12/88/64/1185128864.db2.gz HGGXSLVYQHRBPK-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001496069639 1185130595 /nfs/dbraw/zinc/13/05/95/1185130595.db2.gz ARWXXMCWZNFYEA-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2ccccc2F)cc1 ZINC001496127231 1185137278 /nfs/dbraw/zinc/13/72/78/1185137278.db2.gz BIRGMBARSMSCJW-HNNXBMFYSA-N 0 3 324.399 3.057 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001496136444 1185138865 /nfs/dbraw/zinc/13/88/65/1185138865.db2.gz FHFAJTWBDDRKED-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN CC(C)CC(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001496258731 1185156835 /nfs/dbraw/zinc/15/68/35/1185156835.db2.gz VYDXXQCPTHMVDE-IBGZPJMESA-N 0 3 314.473 3.205 20 30 DGEDHN C[C@H]1CCCN(C(=O)CC2CC2)[C@@H]1CNCC#Cc1ccccc1 ZINC001496472206 1185195510 /nfs/dbraw/zinc/19/55/10/1185195510.db2.gz ZGJUBWXKJOXAMD-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C ZINC001496589334 1185217010 /nfs/dbraw/zinc/21/70/10/1185217010.db2.gz GYACCNORXCBUAX-LLVKDONJSA-N 0 3 307.265 3.248 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(CC)CCCC1)C(C)C ZINC001496623983 1185221980 /nfs/dbraw/zinc/22/19/80/1185221980.db2.gz SACSOARHPAOCFD-AWEZNQCLSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2cc(F)ccc2o1 ZINC001496796168 1185250163 /nfs/dbraw/zinc/25/01/63/1185250163.db2.gz UEYYXUSTFYFDKN-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001497140489 1185285416 /nfs/dbraw/zinc/28/54/16/1185285416.db2.gz HRMOERHJQAFZDL-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2csc(C)c2)C1 ZINC001497451074 1185336175 /nfs/dbraw/zinc/33/61/75/1185336175.db2.gz GZXMTZPGPIEYAL-UHFFFAOYSA-N 0 3 306.475 3.351 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C\CNCc1cccc(C(F)F)c1 ZINC001497580130 1185357053 /nfs/dbraw/zinc/35/70/53/1185357053.db2.gz SYVIYPGQCQNOGI-ARJAWSKDSA-N 0 3 320.383 3.046 20 30 DGEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C[C@H]2CC=CCC2)cc1 ZINC001497648750 1185368447 /nfs/dbraw/zinc/36/84/47/1185368447.db2.gz APTKEOXKNCWORY-CHYADLBTSA-N 0 3 323.440 3.067 20 30 DGEDHN CC(C)[C@H](C)C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001497928828 1185410957 /nfs/dbraw/zinc/41/09/57/1185410957.db2.gz OXAHAJCZLQPYTB-CABCVRRESA-N 0 3 320.864 3.078 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001498369121 1185479357 /nfs/dbraw/zinc/47/93/57/1185479357.db2.gz JFKKTYBHIMZACW-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1CNCc1ocnc1C ZINC001498479445 1185505060 /nfs/dbraw/zinc/50/50/60/1185505060.db2.gz FKSRMHCCEZRNNQ-JKSUJKDBSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCNCc1ccc(F)cc1F ZINC001498591926 1185519871 /nfs/dbraw/zinc/51/98/71/1185519871.db2.gz JVSQQKRQOYNYIJ-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1cccc(C)c1 ZINC001499030164 1185595170 /nfs/dbraw/zinc/59/51/70/1185595170.db2.gz LKEPFTIIJSYGKI-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001499048663 1185599767 /nfs/dbraw/zinc/59/97/67/1185599767.db2.gz QKGXPNBENAHCOC-RHSMWYFYSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCCC(=O)N1CC[C@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001499566176 1185669654 /nfs/dbraw/zinc/66/96/54/1185669654.db2.gz AFUKPGUWWDMYQP-OAHLLOKOSA-N 0 3 318.383 3.220 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001499616545 1185678624 /nfs/dbraw/zinc/67/86/24/1185678624.db2.gz QDYBDTAHMFHBFW-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C(=O)[C@H](C=C)c1ccccc1)C1CCN(CC=C)CC1 ZINC001500058026 1185736402 /nfs/dbraw/zinc/73/64/02/1185736402.db2.gz SKPDSFRBXYSJJN-HXUWFJFHSA-N 0 3 322.452 3.068 20 30 DGEDHN CCCC(=O)NCC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001500409814 1185787358 /nfs/dbraw/zinc/78/73/58/1185787358.db2.gz HVGSKTSQLSGNKK-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001500515504 1185812056 /nfs/dbraw/zinc/81/20/56/1185812056.db2.gz RWLYNUQKRJMXBI-APWZRJJASA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001500553530 1185822729 /nfs/dbraw/zinc/82/27/29/1185822729.db2.gz ZUYRAXXDRHCMRF-ICSRJNTNSA-N 0 3 312.457 3.361 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2sccc2CC)C1 ZINC001500552640 1185822960 /nfs/dbraw/zinc/82/29/60/1185822960.db2.gz INPXEHFLITZJAE-SFHVURJKSA-N 0 3 318.486 3.166 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1CC12CC2)c1ccccc1CC ZINC001501022301 1185857165 /nfs/dbraw/zinc/85/71/65/1185857165.db2.gz NXBBULNDNDNWET-ZWKOTPCHSA-N 0 3 312.457 3.372 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001501422283 1185902295 /nfs/dbraw/zinc/90/22/95/1185902295.db2.gz JYVDTRQHYZLKBF-UONOGXRCSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001501632154 1185915022 /nfs/dbraw/zinc/91/50/22/1185915022.db2.gz LRIWARVQWWCFAX-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](CC)CC(F)F)cc1 ZINC001501676262 1185919864 /nfs/dbraw/zinc/91/98/64/1185919864.db2.gz JIZYSGUUZDWAKO-HIFRSBDPSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(CF)cc2)cc1 ZINC001501681381 1185921370 /nfs/dbraw/zinc/92/13/70/1185921370.db2.gz IBOMNVMBLYVIEF-OAHLLOKOSA-N 0 3 324.399 3.370 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](CC)CCC)cc1 ZINC001501681881 1185921683 /nfs/dbraw/zinc/92/16/83/1185921683.db2.gz SKHWHUXGBNPZCC-WBVHZDCISA-N 0 3 300.446 3.413 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ncccc2C)CCC1 ZINC001501997328 1185944787 /nfs/dbraw/zinc/94/47/87/1185944787.db2.gz GJHMUIXSBWLPDG-SFHVURJKSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCNC1(CNC(=O)CC[C@@H]2CCc3ccccc32)CCC1 ZINC001502028812 1185949565 /nfs/dbraw/zinc/94/95/65/1185949565.db2.gz AXJZYJBLVAMQBS-SFHVURJKSA-N 0 3 324.468 3.148 20 30 DGEDHN CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001502701096 1186001903 /nfs/dbraw/zinc/00/19/03/1186001903.db2.gz KNEUJQPOFDVEDV-DOTOQJQBSA-N 0 3 318.461 3.413 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001502836377 1186021614 /nfs/dbraw/zinc/02/16/14/1186021614.db2.gz OPMWCHKTWKZAMZ-MSOLQXFVSA-N 0 3 312.457 3.359 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1cccc(C)c1 ZINC001503396793 1186043406 /nfs/dbraw/zinc/04/34/06/1186043406.db2.gz ZYEZCZMWIFWMLB-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H](F)CC ZINC001503679221 1186050500 /nfs/dbraw/zinc/05/05/00/1186050500.db2.gz WRJXFGXJFMKIBD-ZWKOTPCHSA-N 0 3 318.436 3.416 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(F)ccc1CC ZINC001505436809 1186079813 /nfs/dbraw/zinc/07/98/13/1186079813.db2.gz FGRWOBZJSHHILR-MRXNPFEDSA-N 0 3 304.409 3.111 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccsc1C(F)F ZINC001505459874 1186087938 /nfs/dbraw/zinc/08/79/38/1186087938.db2.gz ZJWQGXNLBBYBDP-LLVKDONJSA-N 0 3 314.401 3.408 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1cc(F)ccc1F ZINC001505464738 1186089637 /nfs/dbraw/zinc/08/96/37/1186089637.db2.gz BMEYQCYCRAEGLB-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCC(=O)NC1CC(CNCc2oc(C(C)C)nc2C)C1 ZINC001505486394 1186094279 /nfs/dbraw/zinc/09/42/79/1186094279.db2.gz SINHRDWHPBOOIS-UHFFFAOYSA-N 0 3 319.449 3.057 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001505670202 1186121078 /nfs/dbraw/zinc/12/10/78/1186121078.db2.gz BDOQCZHNDTVIOL-ZIAGYGMSSA-N 0 3 322.399 3.141 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC001505909944 1186161983 /nfs/dbraw/zinc/16/19/83/1186161983.db2.gz JWRAMQYEFKXGHV-MRXNPFEDSA-N 0 3 312.457 3.304 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C/C=C/c1ccccc1 ZINC001505915951 1186163427 /nfs/dbraw/zinc/16/34/27/1186163427.db2.gz ACBMXGPJPQTHQH-KQPPXVQYSA-N 0 3 312.457 3.186 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001506574318 1186253575 /nfs/dbraw/zinc/25/35/75/1186253575.db2.gz FZCKZQJSQBXRQG-LSDHHAIUSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001506574317 1186254713 /nfs/dbraw/zinc/25/47/13/1186254713.db2.gz FZCKZQJSQBXRQG-HUUCEWRRSA-N 0 3 306.475 3.398 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001506577613 1186256067 /nfs/dbraw/zinc/25/60/67/1186256067.db2.gz AEETWDPFJWMHSA-PKOBYXMFSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001506648864 1186268010 /nfs/dbraw/zinc/26/80/10/1186268010.db2.gz GTDUUADSYDBZFN-BLLLJJGKSA-N 0 3 314.420 3.071 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001506660359 1186270102 /nfs/dbraw/zinc/27/01/02/1186270102.db2.gz MTQGHIVTWSZMHF-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)Cc2ccccn2)CC1 ZINC001506959058 1186324979 /nfs/dbraw/zinc/32/49/79/1186324979.db2.gz UWKUYNZMOODPFW-UHFFFAOYSA-N 0 3 315.461 3.107 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1cc(F)cc(F)c1 ZINC001507110532 1186362860 /nfs/dbraw/zinc/36/28/60/1186362860.db2.gz NHIPIEMZZFVWRU-LBPRGKRZSA-N 0 3 310.388 3.114 20 30 DGEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C1CC(C)(C)C1 ZINC001507278747 1186379280 /nfs/dbraw/zinc/37/92/80/1186379280.db2.gz RFQUMHAABJOZLZ-QFBILLFUSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@H]1C ZINC001507275042 1186379315 /nfs/dbraw/zinc/37/93/15/1186379315.db2.gz WYJAHZACRVBABY-PBHICJAKSA-N 0 3 304.409 3.179 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2nccs2)[C@@H]1C ZINC001507383063 1186410935 /nfs/dbraw/zinc/41/09/35/1186410935.db2.gz SJCKCXIWEJAKBB-LSDHHAIUSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C[C@H](CC)OC)C(C)C)CC1 ZINC001507831241 1186447444 /nfs/dbraw/zinc/44/74/44/1186447444.db2.gz GYIFWUMRLHBZJC-SFHVURJKSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)c(C)cn1)C(C)C ZINC001507825603 1186447610 /nfs/dbraw/zinc/44/76/10/1186447610.db2.gz JIASUBOKPFMISB-UHFFFAOYSA-N 0 3 303.450 3.057 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC001508226049 1186490602 /nfs/dbraw/zinc/49/06/02/1186490602.db2.gz YLKIRNBXJQJPKK-GOSISDBHSA-N 0 3 310.441 3.041 20 30 DGEDHN N#Cc1ccc(C(=O)OC[C@H]2CCCCN2Cc2ccccc2)[nH]1 ZINC001514724437 1186724240 /nfs/dbraw/zinc/72/42/40/1186724240.db2.gz HYSXIYPTUVXIRH-QGZVFWFLSA-N 0 3 323.396 3.098 20 30 DGEDHN C[C@@H]1CCCN(C(C)(C)CNc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC001611908252 1193443503 /nfs/dbraw/zinc/44/35/03/1193443503.db2.gz AZSXOXYNFUGJHD-LLVKDONJSA-N 0 3 322.434 3.450 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(OC)cc1 ZINC001517063918 1186800637 /nfs/dbraw/zinc/80/06/37/1186800637.db2.gz ADPXCXQDAQDJAE-MRXNPFEDSA-N 0 3 311.385 3.111 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCSC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517121127 1186802611 /nfs/dbraw/zinc/80/26/11/1186802611.db2.gz CVVKTAKQLQHMRM-BDAKNGLRSA-N 0 3 305.790 3.146 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001520036130 1186911914 /nfs/dbraw/zinc/91/19/14/1186911914.db2.gz JZOHCNANWHALEL-QJPTWQEYSA-N 0 3 315.323 3.161 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cscc1Br ZINC001520037626 1186912584 /nfs/dbraw/zinc/91/25/84/1186912584.db2.gz ZGRMELOYIZKBRI-QMMMGPOBSA-N 0 3 324.203 3.217 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1csc2ccccc21 ZINC001521812859 1187049702 /nfs/dbraw/zinc/04/97/02/1187049702.db2.gz PHJVGKVSZOAKRO-IUODEOHRSA-N 0 3 315.442 3.490 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1csc2ccccc21 ZINC001521812861 1187049737 /nfs/dbraw/zinc/04/97/37/1187049737.db2.gz PHJVGKVSZOAKRO-WFASDCNBSA-N 0 3 315.442 3.490 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001656103231 1196002713 /nfs/dbraw/zinc/00/27/13/1196002713.db2.gz YSNFMOSIWIMBCE-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(Cl)cc2C#N)C1 ZINC001532393226 1187752286 /nfs/dbraw/zinc/75/22/86/1187752286.db2.gz ZFVDEGZSSVTVMR-MRXNPFEDSA-N 0 3 323.799 3.363 20 30 DGEDHN C=C1CCC(C(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC001533702219 1187843867 /nfs/dbraw/zinc/84/38/67/1187843867.db2.gz PBDBPPPCHLRBDR-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCN1CC[C@@H](N(CCc2ccccc2F)[C@@H](C)CC)C1=O ZINC001615323931 1193520322 /nfs/dbraw/zinc/52/03/22/1193520322.db2.gz YIXQZPNSERKYHS-MAUKXSAKSA-N 0 3 318.436 3.256 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001616398888 1193538069 /nfs/dbraw/zinc/53/80/69/1193538069.db2.gz GKJNOIYVOOSDPH-QGZVFWFLSA-N 0 3 304.434 3.109 20 30 DGEDHN C#CCN(C(=O)[C@H](C)c1cc2ccccc2o1)C1CCN(C)CC1 ZINC001538519454 1188146478 /nfs/dbraw/zinc/14/64/78/1188146478.db2.gz FNFDMBQKNSVOPE-OAHLLOKOSA-N 0 3 324.424 3.092 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC001539244725 1188183369 /nfs/dbraw/zinc/18/33/69/1188183369.db2.gz WHJMJPFPPMAHMN-WOJBJXKFSA-N 0 3 322.452 3.245 20 30 DGEDHN COCC#CCN(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC001616816946 1193548369 /nfs/dbraw/zinc/54/83/69/1193548369.db2.gz QTNYRZFCXCDHSO-GOSISDBHSA-N 0 3 315.457 3.485 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001617603656 1193574931 /nfs/dbraw/zinc/57/49/31/1193574931.db2.gz BDKRJOUPOXOYLA-GOSISDBHSA-N 0 3 317.477 3.152 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001617603657 1193575167 /nfs/dbraw/zinc/57/51/67/1193575167.db2.gz BDKRJOUPOXOYLA-SFHVURJKSA-N 0 3 317.477 3.152 20 30 DGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(O)CCCCCC1 ZINC001617859798 1193583678 /nfs/dbraw/zinc/58/36/78/1193583678.db2.gz IEYXRDKMKXJZNM-UHFFFAOYSA-N 0 3 307.434 3.235 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)C/C=C\Cl)C2)C1 ZINC001566743144 1188966597 /nfs/dbraw/zinc/96/65/97/1188966597.db2.gz JKNUBFCCDYYDPF-ZQMJAJRESA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OCC(C)C)cc1 ZINC001556466197 1189002230 /nfs/dbraw/zinc/00/22/30/1189002230.db2.gz MUZKOFKHSPVNOA-UHFFFAOYSA-N 0 3 318.461 3.301 20 30 DGEDHN C=CCN(CC(=O)N1C[C@@H](C)OC(C)(C)C1)CC1CCCCC1 ZINC001559539360 1189214967 /nfs/dbraw/zinc/21/49/67/1189214967.db2.gz MNRAGIVMEBYKAU-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(CCCC#N)[C@H]1C ZINC001559947774 1189261073 /nfs/dbraw/zinc/26/10/73/1189261073.db2.gz BSSOJUUQAYXGKZ-ILXRZTDVSA-N 0 3 309.454 3.304 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCN(CCCC2CCC2)CC1 ZINC001560078463 1189275987 /nfs/dbraw/zinc/27/59/87/1189275987.db2.gz UKFDDLNPYOADAY-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN C[C@@H](CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001560128699 1189282440 /nfs/dbraw/zinc/28/24/40/1189282440.db2.gz JJIVEGDCQWZLFC-YOEHRIQHSA-N 0 3 313.445 3.278 20 30 DGEDHN C[S@](=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC001560516994 1189335550 /nfs/dbraw/zinc/33/55/50/1189335550.db2.gz XJJGWLRUMZIDPQ-QHCPKHFHSA-N 0 3 324.449 3.465 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001560701496 1189363954 /nfs/dbraw/zinc/36/39/54/1189363954.db2.gz AQNARRJEUATHCD-ILXRZTDVSA-N 0 3 309.454 3.256 20 30 DGEDHN C=CCC1(NC(=O)NCCN(C)Cc2ccccc2)CCCC1 ZINC001563751614 1189530965 /nfs/dbraw/zinc/53/09/65/1189530965.db2.gz ZJFHNAJTCHSXTE-UHFFFAOYSA-N 0 3 315.461 3.307 20 30 DGEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001564769619 1189595090 /nfs/dbraw/zinc/59/50/90/1189595090.db2.gz VUXKTIWCBCZNFM-UHFFFAOYSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CC[C@@H]1CC[C@H](NCc2cc(S(C)(=O)=O)ccc2F)C1 ZINC001657234774 1196121964 /nfs/dbraw/zinc/12/19/64/1196121964.db2.gz HNENZHDVLPNUTK-OCCSQVGLSA-N 0 3 311.422 3.064 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001565826139 1189679318 /nfs/dbraw/zinc/67/93/18/1189679318.db2.gz GCHXJJPYMGQHEB-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1cccs1 ZINC001565832727 1189683983 /nfs/dbraw/zinc/68/39/83/1189683983.db2.gz GDTOPYYOUBINSG-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001565843974 1189687997 /nfs/dbraw/zinc/68/79/97/1189687997.db2.gz JSECTCIGDIEWCZ-OTVXOJSOSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001565869766 1189696294 /nfs/dbraw/zinc/69/62/94/1189696294.db2.gz YGWQBFAHRMPBOR-HAQNSBGRSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccco1 ZINC001565929765 1189705101 /nfs/dbraw/zinc/70/51/01/1189705101.db2.gz UEWUCHGVWPXLKT-GXTWGEPZSA-N 0 3 310.825 3.253 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@@H](NCc2c(C)noc2C)C1 ZINC001566066953 1189724322 /nfs/dbraw/zinc/72/43/22/1189724322.db2.gz ALFNITDOEVBVJJ-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001566525544 1189791063 /nfs/dbraw/zinc/79/10/63/1189791063.db2.gz XCBMJHCTDUNKKU-GOEBONIOSA-N 0 3 306.837 3.412 20 30 DGEDHN C#CCN(CCCNC(=O)C1(Cc2ccccc2)CCC1)C1CC1 ZINC001566590372 1189812707 /nfs/dbraw/zinc/81/27/07/1189812707.db2.gz WLZSWCWTSBWVBD-UHFFFAOYSA-N 0 3 324.468 3.003 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001566678634 1189856715 /nfs/dbraw/zinc/85/67/15/1189856715.db2.gz BNGSYCQURCPXHH-LBPRGKRZSA-N 0 3 313.829 3.103 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H](CN(C)CCF)C2)CCCCC1 ZINC001566747000 1189889251 /nfs/dbraw/zinc/88/92/51/1189889251.db2.gz WDKPEKDOXUESQA-QGZVFWFLSA-N 0 3 322.468 3.100 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H](CN(C)CCF)C2)CCCCC1 ZINC001566746999 1189889625 /nfs/dbraw/zinc/88/96/25/1189889625.db2.gz WDKPEKDOXUESQA-KRWDZBQOSA-N 0 3 322.468 3.100 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)(F)F ZINC001566753460 1189890507 /nfs/dbraw/zinc/89/05/07/1189890507.db2.gz MMDRCYKJAJMXRX-OKILXGFUSA-N 0 3 300.393 3.063 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(F)F ZINC001566752478 1189890994 /nfs/dbraw/zinc/89/09/94/1189890994.db2.gz CDGJJBHCIAOXDZ-SOUVJXGZSA-N 0 3 314.420 3.309 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCCC2 ZINC001566757972 1189892988 /nfs/dbraw/zinc/89/29/88/1189892988.db2.gz WCHWQFLDZOWUAJ-IXDOHACOSA-N 0 3 302.462 3.208 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001566788808 1189902432 /nfs/dbraw/zinc/90/24/32/1189902432.db2.gz VEYRVWMZZKFILC-JOCQHMNTSA-N 0 3 324.877 3.332 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001566820292 1189913654 /nfs/dbraw/zinc/91/36/54/1189913654.db2.gz LWWSLZAKBXFSOZ-AEEZVMBASA-N 0 3 310.869 3.453 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001566877315 1189934466 /nfs/dbraw/zinc/93/44/66/1189934466.db2.gz VDTGCBGMTCVGNE-APWZRJJASA-N 0 3 315.461 3.012 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001566881041 1189937901 /nfs/dbraw/zinc/93/79/01/1189937901.db2.gz JXHCZJPUSQXJJT-MJGOQNOKSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001566880859 1189938145 /nfs/dbraw/zinc/93/81/45/1189938145.db2.gz GNUTYLZISCEERN-SJLPKXTDSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNCc2nc(C)cs2)C1 ZINC001566893479 1189942481 /nfs/dbraw/zinc/94/24/81/1189942481.db2.gz IUYPIGSCUWVBTA-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1CCOC1CCC1 ZINC001566921039 1189951299 /nfs/dbraw/zinc/95/12/99/1189951299.db2.gz FNECIXMCRJOILB-INIZCTEOSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001566929959 1189958061 /nfs/dbraw/zinc/95/80/61/1189958061.db2.gz MYUDZRWSVYENPZ-LJQANCHMSA-N 0 3 324.468 3.021 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001566928856 1189958210 /nfs/dbraw/zinc/95/82/10/1189958210.db2.gz ODIPPVALZAIQRP-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCCCN2CCCF)CCCCC1 ZINC001566930210 1189960171 /nfs/dbraw/zinc/96/01/71/1189960171.db2.gz SHJTUCGAOCWTGE-KRWDZBQOSA-N 0 3 322.468 3.291 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001566956139 1189967136 /nfs/dbraw/zinc/96/71/36/1189967136.db2.gz SZEJKVSYWDLJRM-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C3CCC3)CCC2)C1 ZINC001566963431 1189973045 /nfs/dbraw/zinc/97/30/45/1189973045.db2.gz UOSFJRMJZDHCBI-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001567162976 1190047764 /nfs/dbraw/zinc/04/77/64/1190047764.db2.gz VSBMZRIYRLFHRY-BFMCYROOSA-N 0 3 305.249 3.289 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001567195451 1190061111 /nfs/dbraw/zinc/06/11/11/1190061111.db2.gz PPTULYSKKQRJLZ-INIZCTEOSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCCc2ccccc21 ZINC001567220446 1190077413 /nfs/dbraw/zinc/07/74/13/1190077413.db2.gz YMIJBOQHTMKCCY-RHSMWYFYSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1ccncc1Cl ZINC001567228699 1190081111 /nfs/dbraw/zinc/08/11/11/1190081111.db2.gz FTGXWXHVKAHVRQ-DYVFJYSZSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1(F)CCCC1 ZINC001567254260 1190097045 /nfs/dbraw/zinc/09/70/45/1190097045.db2.gz MCZZWMQDRDYTCK-AWEZNQCLSA-N 0 3 316.848 3.382 20 30 DGEDHN C=CCCC(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001567273490 1190106323 /nfs/dbraw/zinc/10/63/23/1190106323.db2.gz GDBZSFSQESTXDC-QGZVFWFLSA-N 0 3 304.409 3.217 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H](CC)c1ccccc1 ZINC001567383070 1190162696 /nfs/dbraw/zinc/16/26/96/1190162696.db2.gz PFYTXNPRIHWVMC-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001567395140 1190169555 /nfs/dbraw/zinc/16/95/55/1190169555.db2.gz GQFUFXNFJANWAD-CABCVRRESA-N 0 3 304.409 3.291 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001567415825 1190178031 /nfs/dbraw/zinc/17/80/31/1190178031.db2.gz ORVGYVIXGYEINT-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2ccc(F)cc2)CCC1 ZINC001567555876 1190218361 /nfs/dbraw/zinc/21/83/61/1190218361.db2.gz HEJKJJHSZHHHRL-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC)c1ccccc1 ZINC001567676562 1190246321 /nfs/dbraw/zinc/24/63/21/1190246321.db2.gz RPBSAGURDDPJHJ-OTWHNJEPSA-N 0 3 312.457 3.432 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccc(C)c2F)C1 ZINC001567683443 1190250523 /nfs/dbraw/zinc/25/05/23/1190250523.db2.gz WLSFGAZYYNKVLP-MRXNPFEDSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccccc2C)C1 ZINC001567693662 1190257509 /nfs/dbraw/zinc/25/75/09/1190257509.db2.gz VGVCPVGVCMNKSD-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN CC/C(C)=C/C(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001567727202 1190276028 /nfs/dbraw/zinc/27/60/28/1190276028.db2.gz DFQDZWXMZHGWAJ-PHKMIBKXSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001567766763 1190292030 /nfs/dbraw/zinc/29/20/30/1190292030.db2.gz FSNBXJAHLDJWSY-OAHLLOKOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2c1 ZINC001567861089 1190325618 /nfs/dbraw/zinc/32/56/18/1190325618.db2.gz JCVCLKWVWGVLQP-JLSDUUJJSA-N 0 3 323.440 3.421 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC(C)C)cc1 ZINC001567860213 1190325910 /nfs/dbraw/zinc/32/59/10/1190325910.db2.gz CAWGOTAKKZMADQ-VDGAXYAQSA-N 0 3 324.468 3.249 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)CCCCC1 ZINC001567867023 1190327052 /nfs/dbraw/zinc/32/70/52/1190327052.db2.gz WQYYJSNQRGUTBR-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001567908927 1190347180 /nfs/dbraw/zinc/34/71/80/1190347180.db2.gz VDDNHMIJJZLOJX-LJQANCHMSA-N 0 3 312.457 3.221 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001567911823 1190347464 /nfs/dbraw/zinc/34/74/64/1190347464.db2.gz RMINJRBHMFSVGJ-HXUWFJFHSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001567924875 1190356485 /nfs/dbraw/zinc/35/64/85/1190356485.db2.gz HPEKUPAPEZNQPT-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001567928341 1190358968 /nfs/dbraw/zinc/35/89/68/1190358968.db2.gz HAMVSPIZZJVKCB-QZTJIDSGSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC2(C(F)(F)F)CC2)C1 ZINC001567939919 1190365542 /nfs/dbraw/zinc/36/55/42/1190365542.db2.gz YOJIZTWRJRJLIJ-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccc(CC)cc2)C1 ZINC001567945127 1190369110 /nfs/dbraw/zinc/36/91/10/1190369110.db2.gz INHNTBCFZUNFMX-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN CC[C@H](C)C(=O)NC[C@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001567951784 1190372438 /nfs/dbraw/zinc/37/24/38/1190372438.db2.gz RNPGEZYHPKPSQQ-YOEHRIQHSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)CC)NCC#Cc1ccc(F)cc1 ZINC001567974612 1190383306 /nfs/dbraw/zinc/38/33/06/1190383306.db2.gz BZEOQQXOIUFFJV-KRWDZBQOSA-N 0 3 318.436 3.098 20 30 DGEDHN CC[C@H](CNC(=O)[C@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001567983183 1190387639 /nfs/dbraw/zinc/38/76/39/1190387639.db2.gz VNIYQEQJYWMMIK-RTBURBONSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)CC(C)(C)CC)C1CC1 ZINC001568022223 1190400673 /nfs/dbraw/zinc/40/06/73/1190400673.db2.gz TZVCCWDXVWGVQG-INIZCTEOSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cccn2C)CCCC[C@@H]1C ZINC001568036061 1190406281 /nfs/dbraw/zinc/40/62/81/1190406281.db2.gz OSCWJTRBQYGRNP-GUYCJALGSA-N 0 3 323.868 3.046 20 30 DGEDHN C=C1CC(C)(C(=O)NCCC2CCN(C[C@@H](F)CC)CC2)C1 ZINC001568130823 1190431016 /nfs/dbraw/zinc/43/10/16/1190431016.db2.gz ZSXWRAMFRCHSPF-INIZCTEOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccns2)CCCC1 ZINC001568239861 1190459395 /nfs/dbraw/zinc/45/93/95/1190459395.db2.gz XTTWKBBCDWTPKE-UHFFFAOYSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@H]1CCc2c1c(F)ccc2F ZINC001568259526 1190465780 /nfs/dbraw/zinc/46/57/80/1190465780.db2.gz JUQYWAGLANQKLJ-WBMJQRKESA-N 0 3 322.399 3.355 20 30 DGEDHN Cc1ccc(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)cc1 ZINC001568314442 1190487236 /nfs/dbraw/zinc/48/72/36/1190487236.db2.gz MPJZMQJKMALHFX-GOSISDBHSA-N 0 3 320.436 3.097 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ncc(C)s2)[C@@H](C)C1 ZINC001568358481 1190501715 /nfs/dbraw/zinc/50/17/15/1190501715.db2.gz QPWDAVKHLIINDP-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CC1CCCCC1)C(C)C ZINC001568441872 1190522304 /nfs/dbraw/zinc/52/23/04/1190522304.db2.gz KKUGUVISOZYJPG-HNNXBMFYSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc[nH]c1C(C)C)C(C)C ZINC001568459072 1190528133 /nfs/dbraw/zinc/52/81/33/1190528133.db2.gz KDUIYOXUGBTEOO-CQSZACIVSA-N 0 3 311.857 3.235 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)Cc2ccc(C)cc2)C1 ZINC001568495587 1190547793 /nfs/dbraw/zinc/54/77/93/1190547793.db2.gz PLIWFDJENSCCHT-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc(C(F)F)c1 ZINC001568551868 1190564924 /nfs/dbraw/zinc/56/49/24/1190564924.db2.gz WGXQFMFNVSNQJG-UHFFFAOYSA-N 0 3 310.388 3.133 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccc(C)c(F)c1 ZINC001568899401 1190597695 /nfs/dbraw/zinc/59/76/95/1190597695.db2.gz YRZCJXFOAJOBHS-VOTSOKGWSA-N 0 3 304.409 3.108 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CNCc1cc(C)sc1C ZINC001568902938 1190598167 /nfs/dbraw/zinc/59/81/67/1190598167.db2.gz RURNCIZTADIESD-CMDGGOBGSA-N 0 3 318.486 3.321 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001569098068 1190620730 /nfs/dbraw/zinc/62/07/30/1190620730.db2.gz CLTGAHVWBVGKPQ-PAVULQLHSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001569121839 1190630323 /nfs/dbraw/zinc/63/03/23/1190630323.db2.gz QLEUAHSXXFQEAM-AWEZNQCLSA-N 0 3 306.425 3.116 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001569362288 1190676741 /nfs/dbraw/zinc/67/67/41/1190676741.db2.gz XRRKHVROKALWTD-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001569367021 1190678581 /nfs/dbraw/zinc/67/85/81/1190678581.db2.gz XVXYYFCVJAMVKO-INIZCTEOSA-N 0 3 306.837 3.419 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCCC(C)(C)C)cc1 ZINC001569367939 1190678858 /nfs/dbraw/zinc/67/88/58/1190678858.db2.gz QYTMMPGUSYEJCB-GOSISDBHSA-N 0 3 312.457 3.298 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccc(C3CC3)cc2)CC1 ZINC001569397996 1190691333 /nfs/dbraw/zinc/69/13/33/1190691333.db2.gz NHLKSEKCJTVLTC-UHFFFAOYSA-N 0 3 310.441 3.106 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@H]2CCc3c2cccc3F)CC1 ZINC001569413031 1190693442 /nfs/dbraw/zinc/69/34/42/1190693442.db2.gz ZCKAXWRZHHISPM-INIZCTEOSA-N 0 3 316.420 3.264 20 30 DGEDHN CC#CCCCC(=O)N1CCC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001569470691 1190704507 /nfs/dbraw/zinc/70/45/07/1190704507.db2.gz FCRQLIPIJSGQPV-KRWDZBQOSA-N 0 3 322.468 3.243 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001569477075 1190705467 /nfs/dbraw/zinc/70/54/67/1190705467.db2.gz AHZCLMLSYGTMHT-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCc1scnc1C ZINC001569541172 1190714829 /nfs/dbraw/zinc/71/48/29/1190714829.db2.gz FGVQBFOKRPXXMP-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001569578147 1190719506 /nfs/dbraw/zinc/71/95/06/1190719506.db2.gz FBRPOEYGPZVJPE-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@H]1CC12CC2)c1ccc2ccccc2c1 ZINC001569597506 1190720633 /nfs/dbraw/zinc/72/06/33/1190720633.db2.gz GQAMAYLPNHTLHN-MOPGFXCFSA-N 0 3 318.420 3.020 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCCc2ccc(C)s2)C1 ZINC001569657317 1190736609 /nfs/dbraw/zinc/73/66/09/1190736609.db2.gz XCNNOGDVWSCWLM-KRWDZBQOSA-N 0 3 306.475 3.146 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](CC)CCCC)C1 ZINC001569710323 1190745423 /nfs/dbraw/zinc/74/54/23/1190745423.db2.gz REGKVKNYLRESTA-IEBWSBKVSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001569723700 1190750844 /nfs/dbraw/zinc/75/08/44/1190750844.db2.gz YINNZILTIUKQDI-IBGZPJMESA-N 0 3 311.429 3.186 20 30 DGEDHN C#Cc1ccc(C(=O)Nc2cnccc2NC(CC)CC)cc1 ZINC001569753138 1190753581 /nfs/dbraw/zinc/75/35/81/1190753581.db2.gz KNVLPINAXGKNME-UHFFFAOYSA-N 0 3 307.397 3.338 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccco1)c1ccccc1CC ZINC001569801448 1190755745 /nfs/dbraw/zinc/75/57/45/1190755745.db2.gz BFLXZSNXAOCXNG-SFHVURJKSA-N 0 3 312.413 3.018 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCC1(F)F)c1ccccc1CC ZINC001569802341 1190756464 /nfs/dbraw/zinc/75/64/64/1190756464.db2.gz SUMYSKBTTQJDMJ-CVEARBPZSA-N 0 3 322.399 3.227 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CCCCC ZINC001569911925 1190772834 /nfs/dbraw/zinc/77/28/34/1190772834.db2.gz DAONDQWSRLWTOT-FGTMMUONSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CC(C)(C)C ZINC001569913479 1190773295 /nfs/dbraw/zinc/77/32/95/1190773295.db2.gz RTOXZANHSZRJEY-GVDBMIGSSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H](C)C1CC1 ZINC001570028174 1190783164 /nfs/dbraw/zinc/78/31/64/1190783164.db2.gz MCCJKUJZWGRAGN-OAHLLOKOSA-N 0 3 300.446 3.357 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C)c(C)cn1 ZINC001570026989 1190784014 /nfs/dbraw/zinc/78/40/14/1190784014.db2.gz QLYFSTYFNZQJNU-UHFFFAOYSA-N 0 3 323.440 3.246 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1 ZINC001570032837 1190785431 /nfs/dbraw/zinc/78/54/31/1190785431.db2.gz FLXZNEANGVOMAT-ATZDWAIDSA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C3(C)CC(=C)C3)cccc2C1 ZINC001570077913 1190791770 /nfs/dbraw/zinc/79/17/70/1190791770.db2.gz FGZLYKHVIMEIQG-UHFFFAOYSA-N 0 3 322.452 3.041 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1ccc(F)c(F)c1 ZINC001570080474 1190792238 /nfs/dbraw/zinc/79/22/38/1190792238.db2.gz IKOLLHRWJRHARS-OAHLLOKOSA-N 0 3 322.399 3.402 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001570208595 1190821566 /nfs/dbraw/zinc/82/15/66/1190821566.db2.gz LTQCIUAFHYKFNF-MRXNPFEDSA-N 0 3 318.436 3.123 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001570208800 1190821747 /nfs/dbraw/zinc/82/17/47/1190821747.db2.gz SQHOZSJVGAUFCY-SFHVURJKSA-N 0 3 314.473 3.292 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CCCF ZINC001570269659 1190833464 /nfs/dbraw/zinc/83/34/64/1190833464.db2.gz ZHWDCIXRQAOYHD-GOSISDBHSA-N 0 3 318.436 3.245 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2ccccc2F)[C@@H](C)C1 ZINC001570341398 1190840519 /nfs/dbraw/zinc/84/05/19/1190840519.db2.gz AIXVWDHJUJOJHS-YOEHRIQHSA-N 0 3 318.436 3.365 20 30 DGEDHN CCCCN1CCc2ccccc2[C@H]1CNC(=O)C#CC(C)C ZINC001570476960 1190866794 /nfs/dbraw/zinc/86/67/94/1190866794.db2.gz NDVCENYXFQRYSS-LJQANCHMSA-N 0 3 312.457 3.162 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)CCCC ZINC001570519602 1190873681 /nfs/dbraw/zinc/87/36/81/1190873681.db2.gz UPRPCCLRGONIMM-BMGDILEWSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CN(C)C[C@@H]1CCCCO1 ZINC001570532655 1190877714 /nfs/dbraw/zinc/87/77/14/1190877714.db2.gz KZMQNEADGIHPOC-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001570591549 1190895405 /nfs/dbraw/zinc/89/54/05/1190895405.db2.gz ZUBGPZNQKZLFBX-RYUDHWBXSA-N 0 3 307.463 3.039 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001570593463 1190895810 /nfs/dbraw/zinc/89/58/10/1190895810.db2.gz RFRZGOACRQYYJS-FJOYBOGKSA-N 0 3 312.457 3.123 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001570630193 1190905593 /nfs/dbraw/zinc/90/55/93/1190905593.db2.gz FUNCECKXWQOTMQ-DLBZAZTESA-N 0 3 314.473 3.347 20 30 DGEDHN CCc1ccc(CN(C)[C@H](C)CNC(=O)C#CC(C)(C)C)cc1 ZINC001570710056 1190925860 /nfs/dbraw/zinc/92/58/60/1190925860.db2.gz AOODJCKGVAMZQL-MRXNPFEDSA-N 0 3 314.473 3.235 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H](F)CC ZINC001570812685 1190954367 /nfs/dbraw/zinc/95/43/67/1190954367.db2.gz VGKFHTURBLRRJS-MSOLQXFVSA-N 0 3 318.436 3.051 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001570864210 1190968649 /nfs/dbraw/zinc/96/86/49/1190968649.db2.gz UONQMGUWKTXXCF-SJORKVTESA-N 0 3 314.473 3.186 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCC3CCCCCC3)[C@@H]2C1 ZINC001570941177 1190976914 /nfs/dbraw/zinc/97/69/14/1190976914.db2.gz YINSZEAUGRNGKJ-LDLYASANSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001571380188 1191008436 /nfs/dbraw/zinc/00/84/36/1191008436.db2.gz JZFWKQIXZXYARF-STQMWFEESA-N 0 3 310.388 3.429 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC001571412948 1191019190 /nfs/dbraw/zinc/01/91/90/1191019190.db2.gz JPGNTWLZXFTPQC-PKOBYXMFSA-N 0 3 314.473 3.276 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCCCc2ccccc2)C1 ZINC001571484708 1191028591 /nfs/dbraw/zinc/02/85/91/1191028591.db2.gz HOFWESVCXFYEON-MJGOQNOKSA-N 0 3 312.457 3.002 20 30 DGEDHN Cc1cccc(CN2CCC[C@H](NC(=O)C#CC(C)C)[C@H]2C)c1 ZINC001571517202 1191039558 /nfs/dbraw/zinc/03/95/58/1191039558.db2.gz PFNRBEDNRHVUMM-MJGOQNOKSA-N 0 3 312.457 3.124 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1CCC[C@H](OC)C1)C(C)C ZINC001571612344 1191057298 /nfs/dbraw/zinc/05/72/98/1191057298.db2.gz HLEPPNQGVIMQPV-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(Cl)cc1F)C(C)C ZINC001571613229 1191058404 /nfs/dbraw/zinc/05/84/04/1191058404.db2.gz NPNXMYPIMRMZAA-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)C(C)C ZINC001571613067 1191059181 /nfs/dbraw/zinc/05/91/81/1191059181.db2.gz JDPXQLLNZNEQHQ-UHFFFAOYSA-N 0 3 320.481 3.066 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccc(C)cc1)C(C)C ZINC001571613345 1191059306 /nfs/dbraw/zinc/05/93/06/1191059306.db2.gz SEIWEBQHARPAAP-UHFFFAOYSA-N 0 3 302.462 3.282 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)Cc1cccc(F)c1)C(C)C ZINC001571616472 1191063793 /nfs/dbraw/zinc/06/37/93/1191063793.db2.gz FAPQLVUJJNYHOB-MRXNPFEDSA-N 0 3 320.452 3.359 20 30 DGEDHN CCCC(=O)N[C@@H](CNCc1cc(C#N)ccc1F)C(C)(C)C ZINC001571617203 1191063865 /nfs/dbraw/zinc/06/38/65/1191063865.db2.gz YACFJPGNZLVTQN-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN CCCCC(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001571619064 1191065399 /nfs/dbraw/zinc/06/53/99/1191065399.db2.gz JIYKALSDNWZASV-OAHLLOKOSA-N 0 3 321.490 3.430 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001571636553 1191070812 /nfs/dbraw/zinc/07/08/12/1191070812.db2.gz DBBQZABOKSRNGG-AWEZNQCLSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C1CC(NCc2ncccc2C)C1 ZINC001571662622 1191078927 /nfs/dbraw/zinc/07/89/27/1191078927.db2.gz KFPDSNFDHFZNSH-UHFFFAOYSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC001574852653 1191455029 /nfs/dbraw/zinc/45/50/29/1191455029.db2.gz XSCOJKUJXIMZBJ-TZMCWYRMSA-N 0 3 308.809 3.193 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC)c2cccnc12 ZINC001574857384 1191455056 /nfs/dbraw/zinc/45/50/56/1191455056.db2.gz RODSUBVTVNLHPG-GFCCVEGCSA-N 0 3 319.792 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O ZINC001574908082 1191457978 /nfs/dbraw/zinc/45/79/78/1191457978.db2.gz CLPGDUBKSJISPL-SNVBAGLBSA-N 0 3 302.296 3.033 20 30 DGEDHN CC#CC[C@H](N)C(=O)N(CCCCC)Cc1ccc(F)cc1 ZINC001574962432 1191460779 /nfs/dbraw/zinc/46/07/79/1191460779.db2.gz LPENQTMNJCKDNN-KRWDZBQOSA-N 0 3 304.409 3.085 20 30 DGEDHN CC(C)(C[NH3+])CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001575310535 1191474928 /nfs/dbraw/zinc/47/49/28/1191474928.db2.gz KIFNRVSEOCUWCZ-UHFFFAOYSA-N 0 3 305.205 3.086 20 30 DGEDHN CC(C)CC[C@@H](N)C(=O)Nc1cccc(OCCCC#N)c1 ZINC001575560678 1191492210 /nfs/dbraw/zinc/49/22/10/1191492210.db2.gz KIKNRHNADXLUFC-MRXNPFEDSA-N 0 3 303.406 3.071 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC2CCC2)cc1 ZINC001618813065 1193752832 /nfs/dbraw/zinc/75/28/32/1193752832.db2.gz DMSMRNZYJZXFJG-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN COC(=O)C[C@H](NCc1ccc(C#N)cc1Cl)C(C)(C)C ZINC001620613300 1193783971 /nfs/dbraw/zinc/78/39/71/1193783971.db2.gz BQHJHIRCGOESOR-AWEZNQCLSA-N 0 3 308.809 3.279 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(C[C@H]1CCCCC1(F)F)C2 ZINC001620643197 1193785994 /nfs/dbraw/zinc/78/59/94/1193785994.db2.gz YUWPMPQLKIHQDM-SNVBAGLBSA-N 0 3 311.401 3.386 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CCCC2)C1 ZINC001620670931 1193789454 /nfs/dbraw/zinc/78/94/54/1193789454.db2.gz AYDFZHQUDDUUOE-SZVBFZGTSA-N 0 3 319.493 3.332 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C1(C)C ZINC001621420449 1193841247 /nfs/dbraw/zinc/84/12/47/1193841247.db2.gz PTIHUWGVHSIGAH-ZIAGYGMSSA-N 0 3 321.465 3.352 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC001628359642 1194174375 /nfs/dbraw/zinc/17/43/75/1194174375.db2.gz AISKSYHLTXRPQW-INIZCTEOSA-N 0 3 321.852 3.045 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(C2CCCCC2)cc1 ZINC001628819951 1194198486 /nfs/dbraw/zinc/19/84/86/1194198486.db2.gz KXQRYXLBGFMKQZ-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001628827894 1194198877 /nfs/dbraw/zinc/19/88/77/1194198877.db2.gz UEUMCNGUMOCRSK-KRWDZBQOSA-N 0 3 300.446 3.324 20 30 DGEDHN C#Cc1cccc(CNC(=O)c2ccc(NC3=NCCC3)cc2)c1 ZINC001629929392 1194259323 /nfs/dbraw/zinc/25/93/23/1194259323.db2.gz WVCYSKYTQHXVIV-UHFFFAOYSA-N 0 3 317.392 3.202 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)CCc1cccc(F)c1 ZINC001634640464 1194506541 /nfs/dbraw/zinc/50/65/41/1194506541.db2.gz DHMFQRSXUKGAMA-MRXNPFEDSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccsc1C(F)F ZINC001634646552 1194507483 /nfs/dbraw/zinc/50/74/83/1194507483.db2.gz PARXRLALSBYXMO-UHFFFAOYSA-N 0 3 302.390 3.266 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001635757612 1194570505 /nfs/dbraw/zinc/57/05/05/1194570505.db2.gz FDEVQMMHOQWXOS-AWEZNQCLSA-N 0 3 308.853 3.410 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001636456069 1194614595 /nfs/dbraw/zinc/61/45/95/1194614595.db2.gz BMWVOPFIFRDFKJ-UHFFFAOYSA-N 0 3 318.380 3.353 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(COC(C)C)cc1 ZINC001640013109 1194791229 /nfs/dbraw/zinc/79/12/29/1194791229.db2.gz ZPQFPEFTGKUPKF-UHFFFAOYSA-N 0 3 318.461 3.192 20 30 DGEDHN CN(C)CC#CCNc1oc(-c2ccccc2)nc1C(F)(F)F ZINC001640255277 1194804425 /nfs/dbraw/zinc/80/44/25/1194804425.db2.gz ZBQODGCYXCMZLO-UHFFFAOYSA-N 0 3 323.318 3.337 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](C)CC1 ZINC001641637618 1194863870 /nfs/dbraw/zinc/86/38/70/1194863870.db2.gz SHQIZLUMHGVNAV-SDDULXJBSA-N 0 3 319.493 3.428 20 30 DGEDHN CCCCCCCCCN(C)CC(=O)N1CCOC(C)(C)C1 ZINC001644395400 1195105696 /nfs/dbraw/zinc/10/56/96/1195105696.db2.gz XLRMKXFPZQULQK-UHFFFAOYSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(F)cc1OC(F)F ZINC001645048664 1195153026 /nfs/dbraw/zinc/15/30/26/1195153026.db2.gz FINRPFDGZVGERD-ZYHUDNBSSA-N 0 3 303.324 3.405 20 30 DGEDHN N#Cc1ccnc(CN(Cc2ccccc2)C2(CO)CCCC2)c1 ZINC001645867733 1195205596 /nfs/dbraw/zinc/20/55/96/1195205596.db2.gz MWNBHARKWKBQQQ-UHFFFAOYSA-N 0 3 321.424 3.261 20 30 DGEDHN Cc1nsc(N2CCN(C[C@@H]3CCCC[C@@H]3C)CC2)c1C#N ZINC001645950798 1195208984 /nfs/dbraw/zinc/20/89/84/1195208984.db2.gz SOTITVSDLCCLBK-ZFWWWQNUSA-N 0 3 318.490 3.272 20 30 DGEDHN N#Cc1ccnc(CN(Cc2ccccc2)[C@H](CO)C2CCC2)c1 ZINC001646413170 1195228166 /nfs/dbraw/zinc/22/81/66/1195228166.db2.gz KVHJHWKUXPZQMW-HXUWFJFHSA-N 0 3 321.424 3.116 20 30 DGEDHN CN(C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@H]1C#N ZINC001647993410 1195269606 /nfs/dbraw/zinc/26/96/06/1195269606.db2.gz NAQOUGJMCQTPDR-CAOSSQGBSA-N 0 3 321.465 3.304 20 30 DGEDHN CO[C@@H](CN1CCc2c(C#N)c(N)sc2C1)C1CCCCC1 ZINC001648528805 1195307276 /nfs/dbraw/zinc/30/72/76/1195307276.db2.gz PKBNEPOGRKLQDF-HNNXBMFYSA-N 0 3 319.474 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC001651187611 1195424518 /nfs/dbraw/zinc/42/45/18/1195424518.db2.gz VQMPFPRZCBKGSJ-UHFFFAOYSA-N 0 3 320.418 3.149 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccc(F)c(F)c1F)C2 ZINC001651461836 1195465697 /nfs/dbraw/zinc/46/56/97/1195465697.db2.gz KGZHOAYJABLWQG-AWEZNQCLSA-N 0 3 302.299 3.233 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CCCN1[O-] ZINC001652756086 1195647435 /nfs/dbraw/zinc/64/74/35/1195647435.db2.gz HSTFHZMCKLYTGJ-VNQPRFMTSA-N 0 3 322.836 3.021 20 30 DGEDHN C=CCC[C@H](O)CN1CCN([C@H](CC)c2ccccc2)CC1 ZINC001653461409 1195725786 /nfs/dbraw/zinc/72/57/86/1195725786.db2.gz KXTLUGYNSLPBNR-RBUKOAKNSA-N 0 3 302.462 3.082 20 30 DGEDHN CO[C@@]1(C)C[C@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC001653642823 1195740790 /nfs/dbraw/zinc/74/07/90/1195740790.db2.gz SOOFZZDHCIHJGY-YOEHRIQHSA-N 0 3 324.371 3.453 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001653916975 1195760058 /nfs/dbraw/zinc/76/00/58/1195760058.db2.gz WADUCBMZBVRDKF-KGLIPLIRSA-N 0 3 303.324 3.420 20 30 DGEDHN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(Cc2ccc(C#N)s2)[C@H]1C ZINC001655085817 1195874450 /nfs/dbraw/zinc/87/44/50/1195874450.db2.gz QNSNWDYZFCPBSN-NFFDBFGFSA-N 0 3 320.458 3.418 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(-n2ccnc2)nc1 ZINC001655243790 1195894984 /nfs/dbraw/zinc/89/49/84/1195894984.db2.gz NLIOYJBBLMRYOM-UHFFFAOYSA-N 0 3 317.396 3.046 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)CC1 ZINC001655406257 1195912796 /nfs/dbraw/zinc/91/27/96/1195912796.db2.gz HMPDJPAVODKEFV-SZVBFZGTSA-N 0 3 319.493 3.332 20 30 DGEDHN C#CCOc1ccccc1CNCCN1c2ccccc2C[C@H]1C ZINC001655439905 1195917296 /nfs/dbraw/zinc/91/72/96/1195917296.db2.gz QLGFNYTYXXPVPB-QGZVFWFLSA-N 0 3 320.436 3.239 20 30 DGEDHN C#CCC1(NCc2cc([N+](=O)[O-])ccc2OC(C)C)CCC1 ZINC001655670655 1195947631 /nfs/dbraw/zinc/94/76/31/1195947631.db2.gz ZWCDPOCPJPTKJC-UHFFFAOYSA-N 0 3 302.374 3.418 20 30 DGEDHN C#CCN(CCOCCOCC)[C@@H]1CCCc2ccccc21 ZINC001655692683 1195950761 /nfs/dbraw/zinc/95/07/61/1195950761.db2.gz QZIAHJCXLODVNN-LJQANCHMSA-N 0 3 301.430 3.052 20 30 DGEDHN CCC[C@](C)(NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC001655861766 1195970537 /nfs/dbraw/zinc/97/05/37/1195970537.db2.gz UYJBUMLDEREZIT-APWZRJJASA-N 0 3 315.461 3.300 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001656109766 1196004585 /nfs/dbraw/zinc/00/45/85/1196004585.db2.gz RAVGNDVZSORKKE-IRXDYDNUSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@@H]1CCN1CCC)c1ccccc1 ZINC001656109528 1196005413 /nfs/dbraw/zinc/00/54/13/1196005413.db2.gz MGJZPMVCYKISKM-ROUUACIJSA-N 0 3 300.446 3.289 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001656188017 1196015496 /nfs/dbraw/zinc/01/54/96/1196015496.db2.gz MNYAKIZQUQRMMG-AAVRWANBSA-N 0 3 319.836 3.045 20 30 DGEDHN C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001656264957 1196024838 /nfs/dbraw/zinc/02/48/38/1196024838.db2.gz FEQMWDOBSIABTQ-OWCLPIDISA-N 0 3 316.445 3.235 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC=CC1 ZINC001656429129 1196039549 /nfs/dbraw/zinc/03/95/49/1196039549.db2.gz KAAAWPSAJXKYCW-CZUORRHYSA-N 0 3 310.869 3.312 20 30 DGEDHN CC#CC[C@H](CO)NCc1ccccc1OCc1ccccc1 ZINC001656545054 1196048745 /nfs/dbraw/zinc/04/87/45/1196048745.db2.gz IOBGAXQHHSXHOZ-LJQANCHMSA-N 0 3 309.409 3.130 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@@H]1CC ZINC001656693266 1196062304 /nfs/dbraw/zinc/06/23/04/1196062304.db2.gz VGLZMWLMJSFDRD-ZWKOTPCHSA-N 0 3 316.445 3.131 20 30 DGEDHN C=C1CCC(CNCc2c(C(=O)OC(C)(C)C)cnn2C)CC1 ZINC001656925158 1196084552 /nfs/dbraw/zinc/08/45/52/1196084552.db2.gz BWRZLJZZFWXVPO-UHFFFAOYSA-N 0 3 319.449 3.211 20 30 DGEDHN C=CCN(CC=C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001657573122 1196156754 /nfs/dbraw/zinc/15/67/54/1196156754.db2.gz WOJVVNZVRKICNQ-ZDUSSCGKSA-N 0 3 316.392 3.305 20 30 DGEDHN CCC#C[C@H](C)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC001657795205 1196179173 /nfs/dbraw/zinc/17/91/73/1196179173.db2.gz DZIUXBWCBFVACO-INIZCTEOSA-N 0 3 316.445 3.018 20 30 DGEDHN CCN1CCN(c2cccc(NCC#Cc3ccccc3)c2)CC1 ZINC001657847329 1196183551 /nfs/dbraw/zinc/18/35/51/1196183551.db2.gz HMHFIRYZYQOELB-UHFFFAOYSA-N 0 3 319.452 3.292 20 30 DGEDHN CC[C@@H]1CN(Cc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC001658774851 1196298758 /nfs/dbraw/zinc/29/87/58/1196298758.db2.gz LZVKGPNHLPALSG-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN C#CCN(Cc1[nH]cc(C(=O)OC)c1C1CC1)C1CCCCC1 ZINC001658951902 1196324098 /nfs/dbraw/zinc/32/40/98/1196324098.db2.gz PEAZJCFFSORLCL-UHFFFAOYSA-N 0 3 314.429 3.447 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(F)(C2CC2)CC1 ZINC001659024505 1196333829 /nfs/dbraw/zinc/33/38/29/1196333829.db2.gz PTMNIYPTCNNRKF-UHFFFAOYSA-N 0 3 301.409 3.338 20 30 DGEDHN CCOC(=O)C1(C)CC(NCc2ccc(C#N)c(Cl)c2)C1 ZINC001659576662 1196396640 /nfs/dbraw/zinc/39/66/40/1196396640.db2.gz JQCGJBPKPSXHIH-UHFFFAOYSA-N 0 3 306.793 3.033 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001660243018 1196461092 /nfs/dbraw/zinc/46/10/92/1196461092.db2.gz PGVMDGYXWBKXTK-UHFFFAOYSA-N 0 3 320.864 3.042 20 30 DGEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001660426511 1196482463 /nfs/dbraw/zinc/48/24/63/1196482463.db2.gz QFOAOGISGAZXNH-DOTOQJQBSA-N 0 3 316.445 3.331 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1occc1C ZINC001660427104 1196482653 /nfs/dbraw/zinc/48/26/53/1196482653.db2.gz XGUTVXRZFISPEF-KGLIPLIRSA-N 0 3 310.825 3.313 20 30 DGEDHN COC(=O)[C@@H](CNCc1ccc(C#N)cc1F)CC1CCCC1 ZINC001660860284 1196537370 /nfs/dbraw/zinc/53/73/70/1196537370.db2.gz XUUVYAFUNJJGMY-MRXNPFEDSA-N 0 3 318.392 3.156 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001661094157 1196565197 /nfs/dbraw/zinc/56/51/97/1196565197.db2.gz JSXDRWXVRQKFAR-HOTGVXAUSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1scnc1C)C1CC1 ZINC001661172944 1196576242 /nfs/dbraw/zinc/57/62/42/1196576242.db2.gz VSHXCQRXDKRZJQ-CQSZACIVSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2sc(C)nc2C)C1 ZINC001661314518 1196593375 /nfs/dbraw/zinc/59/33/75/1196593375.db2.gz GHGQZDVYHHKZOA-AWEZNQCLSA-N 0 3 321.490 3.053 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001661349197 1196597034 /nfs/dbraw/zinc/59/70/34/1196597034.db2.gz NDVUAEYVHLFFKU-XUVXKRRUSA-N 0 3 324.468 3.174 20 30 DGEDHN C[C@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661467389 1196608320 /nfs/dbraw/zinc/60/83/20/1196608320.db2.gz DYYLAYLSGPHSJV-FRYIKTPZSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001661533639 1196616275 /nfs/dbraw/zinc/61/62/75/1196616275.db2.gz IOICFQJVSKASCY-MGNMYUMUSA-N 0 3 308.441 3.040 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@H]21 ZINC001661547829 1196617526 /nfs/dbraw/zinc/61/75/26/1196617526.db2.gz FKUCIXKZAYMCHV-RVHKNYROSA-N 0 3 322.880 3.245 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001661605331 1196624014 /nfs/dbraw/zinc/62/40/14/1196624014.db2.gz PEECEQJVIYUIGY-OKILXGFUSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001661636188 1196626046 /nfs/dbraw/zinc/62/60/46/1196626046.db2.gz FXSFTUKJPZLSRC-OKILXGFUSA-N 0 3 324.827 3.428 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001661673348 1196630226 /nfs/dbraw/zinc/63/02/26/1196630226.db2.gz ALNLDDYSTPSIAO-MELADBBJSA-N 0 3 300.874 3.438 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001661742631 1196638605 /nfs/dbraw/zinc/63/86/05/1196638605.db2.gz DRIDMJNAACAALZ-ROUUACIJSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001661747859 1196639923 /nfs/dbraw/zinc/63/99/23/1196639923.db2.gz IOYGMAFPWPWMQR-IEBWSBKVSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1coc2ccccc12 ZINC001661886611 1196658143 /nfs/dbraw/zinc/65/81/43/1196658143.db2.gz VZECSCOMDFLMCI-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCOc1ccccc1 ZINC001661890889 1196659412 /nfs/dbraw/zinc/65/94/12/1196659412.db2.gz NEOHEMCDXVSNFR-QGZVFWFLSA-N 0 3 316.445 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001661890727 1196659450 /nfs/dbraw/zinc/65/94/50/1196659450.db2.gz KKPGEQQAJQHSAN-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](CCC)CC(C)C ZINC001661896124 1196660412 /nfs/dbraw/zinc/66/04/12/1196660412.db2.gz LHTIIFZCZAUSGC-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCC=C(Cl)Cl ZINC001661942577 1196664813 /nfs/dbraw/zinc/66/48/13/1196664813.db2.gz HKTYENXDJVGXFL-GFCCVEGCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCC(=O)NC1CCC(NCc2nc(C)c(C)s2)CC1 ZINC001662095919 1196681161 /nfs/dbraw/zinc/68/11/61/1196681161.db2.gz WOIUKSPVAKUQJM-UHFFFAOYSA-N 0 3 321.490 3.243 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CCC(NCc2cnc(C)o2)CC1 ZINC001662126938 1196684466 /nfs/dbraw/zinc/68/44/66/1196684466.db2.gz SLDDPDOKTJGOQW-FHERZECASA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001662302988 1196704486 /nfs/dbraw/zinc/70/44/86/1196704486.db2.gz GWNXMOJINSSQHJ-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001662834539 1196758984 /nfs/dbraw/zinc/75/89/84/1196758984.db2.gz XHRGAXVHFGPIEZ-RVPHRTOXSA-N 0 3 324.468 3.282 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCC[C@@H](N(C)CC#CC)C1)c1ccccc1 ZINC001662878873 1196766847 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ZINC001663407106 1196859960 /nfs/dbraw/zinc/85/99/60/1196859960.db2.gz ONRZZUDIJHOQDI-UHFFFAOYSA-N 0 3 304.365 3.118 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1ccc(OC)cc1 ZINC001663411197 1196860842 /nfs/dbraw/zinc/86/08/42/1196860842.db2.gz JOLHCQFBMBUAJY-UHFFFAOYSA-N 0 3 318.461 3.236 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC001663740185 1196937271 /nfs/dbraw/zinc/93/72/71/1196937271.db2.gz ZSTZOVYGXJKXPG-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN(CCNC(=O)C(C)(C)c1cccc(Cl)c1)C1CC1 ZINC001663760831 1196941362 /nfs/dbraw/zinc/94/13/62/1196941362.db2.gz CTQOOHMGNNZEKV-UHFFFAOYSA-N 0 3 320.864 3.384 20 30 DGEDHN CCC[C@H](C(=O)N(C)CCNCc1cccc(C#N)c1)C(C)C ZINC001664223013 1196981599 /nfs/dbraw/zinc/98/15/99/1196981599.db2.gz OGEFRUHQQWOVSJ-SFHVURJKSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc[nH]c1)c1ccc(C(C)C)cc1 ZINC001664561629 1197013893 /nfs/dbraw/zinc/01/38/93/1197013893.db2.gz JHQLZKXQAYTBEC-GOSISDBHSA-N 0 3 311.429 3.385 20 30 DGEDHN 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DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC(C)(C)C(F)(F)F)C1 ZINC001665742644 1197184826 /nfs/dbraw/zinc/18/48/26/1197184826.db2.gz QZHXICQFHZEBLF-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cccnc2)CCCC[C@@H]1C ZINC001666043173 1197230207 /nfs/dbraw/zinc/23/02/07/1197230207.db2.gz JGVIAAZFSILPME-SUMWQHHRSA-N 0 3 321.852 3.102 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)[C@@H](C)CC)cc1 ZINC001666344714 1197253710 /nfs/dbraw/zinc/25/37/10/1197253710.db2.gz MYJYAFPGYPWADD-JKSUJKDBSA-N 0 3 300.446 3.098 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)/C=C\C(C)(C)C ZINC001666869725 1197292530 /nfs/dbraw/zinc/29/25/30/1197292530.db2.gz DOSKMSGZWPEUEH-LJTDUEICSA-N 0 3 319.474 3.159 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1ccccc1Cl ZINC001666887207 1197296119 /nfs/dbraw/zinc/29/61/19/1197296119.db2.gz KONIQPPJOITMNT-AWEZNQCLSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2c(C)nsc2C)C1 ZINC001666986805 1197305023 /nfs/dbraw/zinc/30/50/23/1197305023.db2.gz 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C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(OC(C)C)cc1 ZINC001668298239 1197408787 /nfs/dbraw/zinc/40/87/87/1197408787.db2.gz AMGPLGBGMFGDAD-AWEZNQCLSA-N 0 3 324.852 3.324 20 30 DGEDHN CCCC1(C(=O)N(CC)CCNCc2ccc(C#N)s2)CC1 ZINC001668546217 1197419068 /nfs/dbraw/zinc/41/90/68/1197419068.db2.gz OKLPRTMPHJZWHQ-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2sccc2Cl)C1 ZINC001669392215 1197452284 /nfs/dbraw/zinc/45/22/84/1197452284.db2.gz IWTXJURHKOKQIQ-LLVKDONJSA-N 0 3 312.866 3.352 20 30 DGEDHN CCC[C@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001669411413 1197453708 /nfs/dbraw/zinc/45/37/08/1197453708.db2.gz HSPVURUKHNWEFT-CJNGLKHVSA-N 0 3 321.490 3.286 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001669639789 1197467182 /nfs/dbraw/zinc/46/71/82/1197467182.db2.gz YJWWTDNYQUMYQG-UONOGXRCSA-N 0 3 322.399 3.314 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1csc(C(F)(F)F)c1 ZINC001669837988 1197489992 /nfs/dbraw/zinc/48/99/92/1197489992.db2.gz FOSCXGUWMAUFNH-VIFPVBQESA-N 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DGEDHN C=CCN(C)[C@H](C)CNC(=O)CC[C@H]1CCc2ccccc21 ZINC001675048881 1197978109 /nfs/dbraw/zinc/97/81/09/1197978109.db2.gz HAXFKXNLRLHLMT-NVXWUHKLSA-N 0 3 300.446 3.119 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)C=C(C)C ZINC001675214291 1198008370 /nfs/dbraw/zinc/00/83/70/1198008370.db2.gz QUQRNKNALOKOMJ-AWEZNQCLSA-N 0 3 319.474 3.351 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001675263336 1198025472 /nfs/dbraw/zinc/02/54/72/1198025472.db2.gz PNFMVTMFDWLYAU-JKSUJKDBSA-N 0 3 318.486 3.236 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001675269747 1198029792 /nfs/dbraw/zinc/02/97/92/1198029792.db2.gz MTRHKFVWOQVCJW-HKUYNNGSSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2cccc(CC)c2)C1 ZINC001675331915 1198046622 /nfs/dbraw/zinc/04/66/22/1198046622.db2.gz GUQQIGOETZCAQY-HNNXBMFYSA-N 0 3 314.473 3.398 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCc2ccccc2F)CC1(C)C ZINC001675442802 1198066820 /nfs/dbraw/zinc/06/68/20/1198066820.db2.gz VGWNCIDATAMUSH-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC001675605552 1198092969 /nfs/dbraw/zinc/09/29/69/1198092969.db2.gz MECDYLOOJQIRCA-OAHLLOKOSA-N 0 3 309.479 3.396 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001675786669 1198142644 /nfs/dbraw/zinc/14/26/44/1198142644.db2.gz VYIHTGKRSPDFBF-QAQDUYKDSA-N 0 3 320.864 3.083 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(N(C)Cc2ccccn2)CC1 ZINC001676069239 1198216729 /nfs/dbraw/zinc/21/67/29/1198216729.db2.gz SXDVUHZOWQSLOW-UHFFFAOYSA-N 0 3 315.461 3.107 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001676335642 1198292410 /nfs/dbraw/zinc/29/24/10/1198292410.db2.gz BCCIIFSFTDMCLB-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001676335639 1198293307 /nfs/dbraw/zinc/29/33/07/1198293307.db2.gz BCCIIFSFTDMCLB-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cccnc2C)C[C@H]1C ZINC001676729189 1198374408 /nfs/dbraw/zinc/37/44/08/1198374408.db2.gz KXCQWJSOGTXILQ-RHSMWYFYSA-N 0 3 315.461 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CC3(C)CCCCC3)CCC[C@H]12 ZINC001676810173 1198398366 /nfs/dbraw/zinc/39/83/66/1198398366.db2.gz QYLSTNJZGLEULY-LPHOPBHVSA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)CCCCC)CCC[C@@H]12 ZINC001676816407 1198399951 /nfs/dbraw/zinc/39/99/51/1198399951.db2.gz RQVOYTICVNXOTC-YQVWRLOYSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@@H]1C ZINC001676885525 1198421961 /nfs/dbraw/zinc/42/19/61/1198421961.db2.gz BVJFCRQVSQQMHS-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)C#CC(=O)N(CCN(C)CC1=CCCCC1)C(C)C ZINC001677198664 1198485019 /nfs/dbraw/zinc/48/50/19/1198485019.db2.gz GWZQKGLPEZDLSH-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc(F)c1Cl)C(C)C ZINC001677211581 1198489164 /nfs/dbraw/zinc/48/91/64/1198489164.db2.gz QXVVKMJIHPICES-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C(C)C ZINC001677215103 1198491168 /nfs/dbraw/zinc/49/11/68/1198491168.db2.gz AXCIUXXEOBTWMA-IAGOWNOFSA-N 0 3 308.510 3.497 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001677640404 1198565813 /nfs/dbraw/zinc/56/58/13/1198565813.db2.gz OKMHAWVXHKBWIG-PLNGDYQASA-N 0 3 310.441 3.333 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C(C)(C)C(F)F)c(F)c1 ZINC001677645036 1198568167 /nfs/dbraw/zinc/56/81/67/1198568167.db2.gz QRFBMPKRYMNPRR-UHFFFAOYSA-N 0 3 314.351 3.009 20 30 DGEDHN C=C1CCC(CNC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC001681714006 1199069635 /nfs/dbraw/zinc/06/96/35/1199069635.db2.gz RLIUIWQJVJSBHH-GOSISDBHSA-N 0 3 315.461 3.335 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001682110370 1199130915 /nfs/dbraw/zinc/13/09/15/1199130915.db2.gz CEVNIMGHCDFOPH-HOTGVXAUSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC001682630866 1199178614 /nfs/dbraw/zinc/17/86/14/1199178614.db2.gz RBDMZTFLEOVIQS-HNNXBMFYSA-N 0 3 321.490 3.275 20 30 DGEDHN C=CCCC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC001684893312 1199422979 /nfs/dbraw/zinc/42/29/79/1199422979.db2.gz CEFPHUQVRVFVCF-NXHRZFHOSA-N 0 3 315.461 3.476 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1cc(C)ns1)C(C)C ZINC001753839045 1199989176 /nfs/dbraw/zinc/98/91/76/1199989176.db2.gz WZODUTXSTASPAQ-RDJZCZTQSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1cncc(F)c1)C(C)C ZINC001753840487 1199990006 /nfs/dbraw/zinc/99/00/06/1199990006.db2.gz GNNDJHCOJPTHRT-INIZCTEOSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)C(C)C ZINC001753843617 1199992732 /nfs/dbraw/zinc/99/27/32/1199992732.db2.gz SPDWAIHTHNUXJD-PBHICJAKSA-N 0 3 322.880 3.348 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@](C)(CC)CCCCC)C[C@@H]2C1 ZINC001689239727 1200068011 /nfs/dbraw/zinc/06/80/11/1200068011.db2.gz YKQFHJZZEPEQNZ-HBFSDRIKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCCC(=O)N1CCCCC[C@H](NCC(=C)Cl)C1 ZINC001689259155 1200071649 /nfs/dbraw/zinc/07/16/49/1200071649.db2.gz DCZCIENFHFUOOS-INIZCTEOSA-N 0 3 310.869 3.293 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2 ZINC001754019527 1200074943 /nfs/dbraw/zinc/07/49/43/1200074943.db2.gz COTTVVYAMJWCQK-AWEZNQCLSA-N 0 3 320.864 3.416 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001754028699 1200077242 /nfs/dbraw/zinc/07/72/42/1200077242.db2.gz YXGIEBGHWFCKMW-GFCCVEGCSA-N 0 3 300.874 3.296 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)CC1CCCC1 ZINC001754030861 1200078230 /nfs/dbraw/zinc/07/82/30/1200078230.db2.gz HUTWANKAGGIXIP-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCOCCC(C)C)[C@@H]1C ZINC001689308702 1200089162 /nfs/dbraw/zinc/08/91/62/1200089162.db2.gz GZKKFTMWZZUFJG-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(OCC)c1 ZINC001689352855 1200106168 /nfs/dbraw/zinc/10/61/68/1200106168.db2.gz UMVFDLBBRSYGGM-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN CCc1ccccc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001754239306 1200146546 /nfs/dbraw/zinc/14/65/46/1200146546.db2.gz RUFNAKVZPJRFSZ-QGZVFWFLSA-N 0 3 320.436 3.009 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CNCc1sccc1Cl ZINC001754239983 1200147481 /nfs/dbraw/zinc/14/74/81/1200147481.db2.gz YYVLJRIDXRSVRG-GFCCVEGCSA-N 0 3 312.866 3.189 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cc(F)cc(F)c2)CCC1 ZINC001754282210 1200170853 /nfs/dbraw/zinc/17/08/53/1200170853.db2.gz QLIDBXHERPKLDZ-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001754302104 1200184652 /nfs/dbraw/zinc/18/46/52/1200184652.db2.gz AVGOASPIWQBZFL-HNNXBMFYSA-N 0 3 301.434 3.075 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C1(CC)CCC(F)(F)CC1 ZINC001754314187 1200199503 /nfs/dbraw/zinc/19/95/03/1200199503.db2.gz MLZGXGSUCZVHAR-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCCC1CC1 ZINC001754321924 1200212205 /nfs/dbraw/zinc/21/22/05/1200212205.db2.gz VFDHTSNJQZMHPY-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNCc1nccs1 ZINC001754344836 1200237273 /nfs/dbraw/zinc/23/72/73/1200237273.db2.gz GNFOCMKOPAAAKE-KGLIPLIRSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C)nc1C(C)C ZINC001754387426 1200248526 /nfs/dbraw/zinc/24/85/26/1200248526.db2.gz MEQJWZJBCKVQRF-UHFFFAOYSA-N 0 3 323.868 3.318 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCNCc1cccc(F)c1F ZINC001754388353 1200249291 /nfs/dbraw/zinc/24/92/91/1200249291.db2.gz CMFSSWASFIDKND-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C1CCC1)C1CCC1 ZINC001754398655 1200253003 /nfs/dbraw/zinc/25/30/03/1200253003.db2.gz UMYUUYMUDRGMGL-UHFFFAOYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)c(C)s1 ZINC001754412835 1200256815 /nfs/dbraw/zinc/25/68/15/1200256815.db2.gz ZQDVRPGDPXGYPH-UHFFFAOYSA-N 0 3 300.855 3.169 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001754417437 1200257930 /nfs/dbraw/zinc/25/79/30/1200257930.db2.gz XZSOYXAOULOGES-STQMWFEESA-N 0 3 300.874 3.249 20 30 DGEDHN CCC(C)(C)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001689832602 1200300907 /nfs/dbraw/zinc/30/09/07/1200300907.db2.gz LQWIGNSKMGOHDC-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCN1CC(C)C)c1ccccc1 ZINC001754505554 1200320307 /nfs/dbraw/zinc/32/03/07/1200320307.db2.gz PXAVRUQXOAOERT-QZTJIDSGSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCCc1cc(C)sc1C ZINC001754506312 1200323775 /nfs/dbraw/zinc/32/37/75/1200323775.db2.gz ZVHWTKZSRMUUBD-KRWDZBQOSA-N 0 3 320.502 3.454 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001754506154 1200323902 /nfs/dbraw/zinc/32/39/02/1200323902.db2.gz XNGBBBDGXGJRLU-IRXDYDNUSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cncs1 ZINC001689903051 1200324084 /nfs/dbraw/zinc/32/40/84/1200324084.db2.gz QFMVFNWKBSEAHE-HOCLYGCPSA-N 0 3 321.490 3.359 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(CC#CC)C1 ZINC001754537939 1200348249 /nfs/dbraw/zinc/34/82/49/1200348249.db2.gz GVQLYHFUOYTLBI-ZFXNLAERSA-N 0 3 314.473 3.235 20 30 DGEDHN C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001754538954 1200349776 /nfs/dbraw/zinc/34/97/76/1200349776.db2.gz OOXDQBWFYOWUJT-MQVJKMGUSA-N 0 3 314.429 3.084 20 30 DGEDHN C[C@H](C#N)C(=O)NCCCN([C@@H](C)c1ccccc1F)C1CC1 ZINC001689979083 1200352810 /nfs/dbraw/zinc/35/28/10/1200352810.db2.gz PYANHBDWKVSWFB-KGLIPLIRSA-N 0 3 317.408 3.017 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001754561776 1200366468 /nfs/dbraw/zinc/36/64/68/1200366468.db2.gz DELQCHLOQXBRQE-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001690050486 1200385639 /nfs/dbraw/zinc/38/56/39/1200385639.db2.gz LBOGPOQUMOEKSU-MOPGFXCFSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001690113118 1200407286 /nfs/dbraw/zinc/40/72/86/1200407286.db2.gz ZRTFMPBFMOAPGR-IEBWSBKVSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC23CCN(C/C=C\Cl)CC3)CCC1 ZINC001690125895 1200409057 /nfs/dbraw/zinc/40/90/57/1200409057.db2.gz JIRDTWHJUZNQNA-HGZZYMOZSA-N 0 3 322.880 3.456 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCC[C@H](C)CC)CC1 ZINC001690123390 1200409307 /nfs/dbraw/zinc/40/93/07/1200409307.db2.gz OUBBIWAMEDXVPW-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001690128518 1200410314 /nfs/dbraw/zinc/41/03/14/1200410314.db2.gz QNEPBANPOISMMY-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCC2CCCCC2)CC1 ZINC001690131784 1200412411 /nfs/dbraw/zinc/41/24/11/1200412411.db2.gz ZVJXZSDVIWIPDR-SFHVURJKSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC[C@H]2CCCCO2)CC1 ZINC001690136364 1200415480 /nfs/dbraw/zinc/41/54/80/1200415480.db2.gz LTTQPJPBTWQZQK-GOSISDBHSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCC(=O)NC[C@@H](N[C@@H](C)c1ccccc1F)C1CC1 ZINC001690144958 1200421038 /nfs/dbraw/zinc/42/10/38/1200421038.db2.gz IZYYHQISRQWMBN-SUMWQHHRSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1cnc(C)s1)C1CC1 ZINC001690171491 1200432591 /nfs/dbraw/zinc/43/25/91/1200432591.db2.gz KFOWWVZHYVOUMQ-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001754681895 1200440615 /nfs/dbraw/zinc/44/06/15/1200440615.db2.gz GPPSIAZCHWRJQA-GUYCJALGSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001754683012 1200441032 /nfs/dbraw/zinc/44/10/32/1200441032.db2.gz QFCMLPRZZCYDNX-KXBFYZLASA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001690192973 1200446672 /nfs/dbraw/zinc/44/66/72/1200446672.db2.gz UGVUSKRHWZVMMX-GKUQOKNUSA-N 0 3 324.896 3.493 20 30 DGEDHN C=CCCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001754691121 1200449307 /nfs/dbraw/zinc/44/93/07/1200449307.db2.gz VJGGTPAJGGSFEU-BCNIOPEESA-N 0 3 305.249 3.100 20 30 DGEDHN CC(C)C[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001690205554 1200455823 /nfs/dbraw/zinc/45/58/23/1200455823.db2.gz PFKCAHHBQSLAKA-OKZBNKHCSA-N 0 3 318.505 3.393 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001690213835 1200457359 /nfs/dbraw/zinc/45/73/59/1200457359.db2.gz OOWGAXCJYFFUMZ-SFNKJDCFSA-N 0 3 304.478 3.310 20 30 DGEDHN C=C(C)CC[NH+]1CCC(C)(CNC(=O)c2ccccc2[O-])CC1 ZINC001754715006 1200459092 /nfs/dbraw/zinc/45/90/92/1200459092.db2.gz IKYQEIYWVIWPKB-UHFFFAOYSA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001690247206 1200461402 /nfs/dbraw/zinc/46/14/02/1200461402.db2.gz JREIZJPZJGBOQB-AWEZNQCLSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001754729830 1200474932 /nfs/dbraw/zinc/47/49/32/1200474932.db2.gz RUIVOQUKHXYGLP-LJQANCHMSA-N 0 3 317.477 3.395 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(Cl)cs2)C1 ZINC001754730099 1200474991 /nfs/dbraw/zinc/47/49/91/1200474991.db2.gz CQFXSQIBPVWUPE-HNNXBMFYSA-N 0 3 312.866 3.419 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001690291441 1200482200 /nfs/dbraw/zinc/48/22/00/1200482200.db2.gz XLZGIYOLCBLETL-MRVWCRGKSA-N 0 3 300.874 3.438 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001754744111 1200484110 /nfs/dbraw/zinc/48/41/10/1200484110.db2.gz BTGGWYOGQUXWGU-UONOGXRCSA-N 0 3 320.399 3.022 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1)C2 ZINC001754780620 1200485632 /nfs/dbraw/zinc/48/56/32/1200485632.db2.gz VCZFPIQMPLFCHY-UFYCRDLUSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@]12C[C@H]1CCC2)c1ccccc1CC ZINC001754786244 1200488912 /nfs/dbraw/zinc/48/89/12/1200488912.db2.gz WCICUJVBXNUILL-YVWKXTFCSA-N 0 3 312.457 3.372 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2nc(C)c(C)s2)C1 ZINC001754787377 1200489415 /nfs/dbraw/zinc/48/94/15/1200489415.db2.gz JHUOPDRVBICCJW-ZFWWWQNUSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)c1ccccc1CC ZINC001754786242 1200489493 /nfs/dbraw/zinc/48/94/93/1200489493.db2.gz WCICUJVBXNUILL-IMFGXOCKSA-N 0 3 312.457 3.372 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2csc(C)n2)C1 ZINC001754796183 1200493473 /nfs/dbraw/zinc/49/34/73/1200493473.db2.gz YMKIVXYUOKAZKP-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C/Cl)C1 ZINC001754796619 1200494091 /nfs/dbraw/zinc/49/40/91/1200494091.db2.gz DVUYPRYXCCLYGE-JTXXYJNRSA-N 0 3 319.276 3.344 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001690353177 1200507483 /nfs/dbraw/zinc/50/74/83/1200507483.db2.gz CGQBKBOUSHSGTB-AEGPPILISA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001754903375 1200531988 /nfs/dbraw/zinc/53/19/88/1200531988.db2.gz YDCDVJAKFPXPDC-OAHLLOKOSA-N 0 3 306.837 3.189 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCc1ccc([C@@H](C)NCC#CC)cc1 ZINC001754948439 1200550459 /nfs/dbraw/zinc/55/04/59/1200550459.db2.gz JIGGHMINLJLZSL-QOTSWMAJSA-N 0 3 310.441 3.499 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CC(C)(F)F)cc1 ZINC001754947810 1200550702 /nfs/dbraw/zinc/55/07/02/1200550702.db2.gz BOJBZFLQMPBQEY-CYBMUJFWSA-N 0 3 308.372 3.022 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)c2ccccc2)cc1 ZINC001754948694 1200550737 /nfs/dbraw/zinc/55/07/37/1200550737.db2.gz NFJCLKOMZGVYPV-DLBZAZTESA-N 0 3 320.436 3.390 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2C(C)(C)C2(C)C)cc1 ZINC001754947335 1200550914 /nfs/dbraw/zinc/55/09/14/1200550914.db2.gz KCMNVXNMLIHQEG-CQSZACIVSA-N 0 3 312.457 3.269 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2occc2C)cc1 ZINC001754952519 1200553626 /nfs/dbraw/zinc/55/36/26/1200553626.db2.gz DXQOFHIENPDCKT-HNNXBMFYSA-N 0 3 310.397 3.192 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCCN1CC=C(C)C ZINC001690451114 1200564260 /nfs/dbraw/zinc/56/42/60/1200564260.db2.gz XYFGSZUROJLKSF-MJGOQNOKSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cc2ccccc2o1 ZINC001690450227 1200565884 /nfs/dbraw/zinc/56/58/84/1200565884.db2.gz CSHHXNXRWJFOLT-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccsc2)CCC1 ZINC001754986659 1200573029 /nfs/dbraw/zinc/57/30/29/1200573029.db2.gz ONCMXTPYOWSVRO-UHFFFAOYSA-N 0 3 306.475 3.479 20 30 DGEDHN CC[C@@H](C)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001690527607 1200607932 /nfs/dbraw/zinc/60/79/32/1200607932.db2.gz MTMSQWGKFAVGOG-RWBZWWBESA-N 0 3 313.445 3.121 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CCC(NCc2conc2C)CC1 ZINC001690539372 1200613288 /nfs/dbraw/zinc/61/32/88/1200613288.db2.gz XDOXIYYWFJPTRU-OOHWJJMZSA-N 0 3 319.449 3.102 20 30 DGEDHN C[C@@H](CNC(=O)[C@H]1CCCC1(C)C)NCc1ccc(C#N)s1 ZINC001690612179 1200647184 /nfs/dbraw/zinc/64/71/84/1200647184.db2.gz HHOJUPLHNNEHDJ-SWLSCSKDSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001690617454 1200652332 /nfs/dbraw/zinc/65/23/32/1200652332.db2.gz FQFFAUSZWWQAGV-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccco2)C(C)(C)C1 ZINC001755144192 1200662265 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C=C[C@@](C)(CC)C(=O)NC1CC(CNCc2ncc(C)s2)C1 ZINC001755216480 1200706867 /nfs/dbraw/zinc/70/68/67/1200706867.db2.gz AWEUYNWCOFRMCX-KVULBXGLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCC(=O)NC1CC(CNCc2cc(F)ccc2F)C1 ZINC001755216630 1200708532 /nfs/dbraw/zinc/70/85/32/1200708532.db2.gz HHJJEPYAOHNOQV-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC001690824646 1200737567 /nfs/dbraw/zinc/73/75/67/1200737567.db2.gz IOJTZSCPSRXISC-MRXNPFEDSA-N 0 3 318.486 3.017 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1ccncc1Cl ZINC001690844565 1200746637 /nfs/dbraw/zinc/74/66/37/1200746637.db2.gz GRTCPJAYRSHXIP-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)c(CC)s1 ZINC001690878411 1200760362 /nfs/dbraw/zinc/76/03/62/1200760362.db2.gz YMHPUCSACZVQJS-GFCCVEGCSA-N 0 3 314.882 3.469 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCC1(C)CC1 ZINC001755284829 1200761014 /nfs/dbraw/zinc/76/10/14/1200761014.db2.gz BWHMRIJBYDFZGJ-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccc(C)n1C ZINC001690885340 1200766162 /nfs/dbraw/zinc/76/61/62/1200766162.db2.gz IEIPRWXRIYNKIH-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cccn1CC ZINC001690917235 1200783512 /nfs/dbraw/zinc/78/35/12/1200783512.db2.gz JYJPFNZHDVQRCS-OAHLLOKOSA-N 0 3 323.868 3.235 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001755312905 1200795729 /nfs/dbraw/zinc/79/57/29/1200795729.db2.gz JNIGDBMNZPIURD-HZPDHXFCSA-N 0 3 313.445 3.097 20 30 DGEDHN C#CCCN(C)CCNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001690950025 1200803543 /nfs/dbraw/zinc/80/35/43/1200803543.db2.gz JJYILQQZOVMAAN-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccccc1F ZINC001691793906 1200809902 /nfs/dbraw/zinc/80/99/02/1200809902.db2.gz HSSHVFDMPIZEAR-CVEARBPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2ccns2)CCCCC1 ZINC001755349048 1200833689 /nfs/dbraw/zinc/83/36/89/1200833689.db2.gz CUFFQMHLUGPMDT-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)CC1CC1 ZINC001755356794 1200839108 /nfs/dbraw/zinc/83/91/08/1200839108.db2.gz XOLMSVHPMBNARY-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)C(F)(F)F)C1 ZINC001691861398 1200842427 /nfs/dbraw/zinc/84/24/27/1200842427.db2.gz WDFBZWHINSAKDE-STQMWFEESA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001691860888 1200843097 /nfs/dbraw/zinc/84/30/97/1200843097.db2.gz MUYVFNLSSPEHEM-SFHVURJKSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)CC)C1 ZINC001691928472 1200878055 /nfs/dbraw/zinc/87/80/55/1200878055.db2.gz JMSUAKRWBHSWNN-BHIYHBOVSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C(C)(C)C1 ZINC001755405913 1200881230 /nfs/dbraw/zinc/88/12/30/1200881230.db2.gz ANDCCAINAGZBKO-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN CCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1ccccc1C#N 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3.134 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)CCCCCC(C)C)C[C@@H]2C1 ZINC001692078699 1200923903 /nfs/dbraw/zinc/92/39/03/1200923903.db2.gz VUHQFPISHSOIQV-MSOLQXFVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001755518498 1200930673 /nfs/dbraw/zinc/93/06/73/1200930673.db2.gz PHHLROYFJLCZFM-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)[C@H]1CC ZINC001692223716 1200974636 /nfs/dbraw/zinc/97/46/36/1200974636.db2.gz TVSTZWUKAPJHMW-RYQLBKOJSA-N 0 3 300.446 3.020 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2scnc2C)CCC1 ZINC001755606115 1200985398 /nfs/dbraw/zinc/98/53/98/1200985398.db2.gz NJTMAYCKRAFESH-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cncs2)CCCC1 ZINC001755620630 1200997283 /nfs/dbraw/zinc/99/72/83/1200997283.db2.gz XNJOGJZATJUUDN-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C[C@H](C)c2ccco2)CC(C)(C)C1 ZINC001692280083 1201002475 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C=CCN1CCC[C@@H](NC(=O)CCc2ccccc2C)[C@H]1C ZINC001755720397 1201041615 /nfs/dbraw/zinc/04/16/15/1201041615.db2.gz FIZZOCLPWRABOM-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(C)c1 ZINC001692377250 1201043941 /nfs/dbraw/zinc/04/39/41/1201043941.db2.gz ZDCNJVPXJOMLOM-WDSOQIARSA-N 0 3 312.457 3.350 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nsc1C ZINC001692384448 1201046253 /nfs/dbraw/zinc/04/62/53/1201046253.db2.gz MYDQGHRJQGERJI-CQDKDKBSSA-N 0 3 319.474 3.013 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001692389197 1201050114 /nfs/dbraw/zinc/05/01/14/1201050114.db2.gz VWZCGKRYKUMCOF-AYBZRNKSSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2ccncc2Cl)C1 ZINC001755730912 1201051550 /nfs/dbraw/zinc/05/15/50/1201051550.db2.gz OURJKOYIBVPRCY-HIFRSBDPSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2csc(C)n2)C1 ZINC001755742198 1201057024 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C=CCCC(=O)N(C)[C@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001698558163 1201227980 /nfs/dbraw/zinc/22/79/80/1201227980.db2.gz RUBYNNHAYLWLPB-FUHWJXTLSA-N 0 3 316.420 3.312 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001698558165 1201228877 /nfs/dbraw/zinc/22/88/77/1201228877.db2.gz RUBYNNHAYLWLPB-WMZOPIPTSA-N 0 3 316.420 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001698570406 1201241620 /nfs/dbraw/zinc/24/16/20/1201241620.db2.gz UDCUPLADRIVYOU-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001698588046 1201263524 /nfs/dbraw/zinc/26/35/24/1201263524.db2.gz MPBBLIOHUJJXLE-KBPBESRZSA-N 0 3 320.399 3.464 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001698598783 1201271273 /nfs/dbraw/zinc/27/12/73/1201271273.db2.gz ZUTBECTYGBYCJX-XXTMNZORSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCC=C(Cl)Cl ZINC001698610359 1201279304 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C=CCCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001698817825 1201463387 /nfs/dbraw/zinc/46/33/87/1201463387.db2.gz YODJFLBFQXNEHN-OAHLLOKOSA-N 0 3 318.848 3.094 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2scnc2C)CCC1 ZINC001698842881 1201496759 /nfs/dbraw/zinc/49/67/59/1201496759.db2.gz IEYZNCPFUSKAPP-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C(C)C)nc1)C(C)C ZINC001698963428 1201619594 /nfs/dbraw/zinc/61/95/94/1201619594.db2.gz UNHICXCQCWWBLO-INIZCTEOSA-N 0 3 323.868 3.302 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC001698974038 1201629277 /nfs/dbraw/zinc/62/92/77/1201629277.db2.gz NWJPBIJRNYHMPO-IKGGRYGDSA-N 0 3 320.864 3.273 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(OC)cc1C)C(C)C ZINC001698975542 1201632331 /nfs/dbraw/zinc/63/23/31/1201632331.db2.gz MDWVYQMCJBWDRE-MRXNPFEDSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(F)c(F)cc1Cl ZINC001699003191 1201671526 /nfs/dbraw/zinc/67/15/26/1201671526.db2.gz UQEOVDKMAHHVDJ-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C1(c2ccccc2)CCCC1 ZINC001699004849 1201674428 /nfs/dbraw/zinc/67/44/28/1201674428.db2.gz PSGKQGAOMCXJIW-UHFFFAOYSA-N 0 3 300.446 3.075 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001699003995 1201675611 /nfs/dbraw/zinc/67/56/11/1201675611.db2.gz KMRIABYVSOCEKD-MRXNPFEDSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C\Cl ZINC001699029101 1201695836 /nfs/dbraw/zinc/69/58/36/1201695836.db2.gz OLKDVSSCSFARBO-HIZVYSOWSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1sccc1CC ZINC001750928499 1201726265 /nfs/dbraw/zinc/72/62/65/1201726265.db2.gz IUBLPIQPLHLELC-HNNXBMFYSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2cccnc2c1 ZINC001750931181 1201726995 /nfs/dbraw/zinc/72/69/95/1201726995.db2.gz BLJCHLXUWUVFOC-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2ccn(C)c2c1 ZINC001699150413 1201729790 /nfs/dbraw/zinc/72/97/90/1201729790.db2.gz QHFYKWVZIKOWMV-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H]1CCC(F)(F)C1 ZINC001750934408 1201729816 /nfs/dbraw/zinc/72/98/16/1201729816.db2.gz SGZXJDKNQDRMFO-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001699360697 1201810533 /nfs/dbraw/zinc/81/05/33/1201810533.db2.gz JHLKMBFOVNRYPE-ATGUSINASA-N 0 3 318.848 3.142 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H](c1ccccc1)C1CC1)C1CC1 ZINC001752265813 1201816341 /nfs/dbraw/zinc/81/63/41/1201816341.db2.gz FGBUMFAJFCATSN-HXUWFJFHSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H](CC)C1CCC(C)CC1)C1CC1 ZINC001752261331 1201816384 /nfs/dbraw/zinc/81/63/84/1201816384.db2.gz ORWZYDXLHVBJEO-TVPLGVNVSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001752411569 1201833031 /nfs/dbraw/zinc/83/30/31/1201833031.db2.gz MLEAPQHOVPEIED-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001752434567 1201836767 /nfs/dbraw/zinc/83/67/67/1201836767.db2.gz GZUUADHAQKKSCX-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001752434564 1201836963 /nfs/dbraw/zinc/83/69/63/1201836963.db2.gz GZUUADHAQKKSCX-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCc2ccoc2)CC1 ZINC001752433310 1201837998 /nfs/dbraw/zinc/83/79/98/1201837998.db2.gz GKIWPLLXXQIIHP-UHFFFAOYSA-N 0 3 318.461 3.491 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](N[C@@H](C)c1ccccc1F)C1CC1 ZINC001752462340 1201844528 /nfs/dbraw/zinc/84/45/28/1201844528.db2.gz DAZSAVLWPJXJBZ-KSSFIOAISA-N 0 3 316.420 3.031 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001699424906 1201858187 /nfs/dbraw/zinc/85/81/87/1201858187.db2.gz BGSRSCXZVRJDFY-CVEARBPZSA-N 0 3 318.436 3.098 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001752523672 1201869319 /nfs/dbraw/zinc/86/93/19/1201869319.db2.gz FRYQBBNVFAWCSV-OAGGEKHMSA-N 0 3 302.418 3.232 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)/C=C\C(C)(C)C ZINC001699447585 1201884488 /nfs/dbraw/zinc/88/44/88/1201884488.db2.gz ZLXXDZMROGOVJZ-JQPIKURYSA-N 0 3 313.445 3.097 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@@H](C)C(C)(C)C ZINC001699451720 1201888656 /nfs/dbraw/zinc/88/86/56/1201888656.db2.gz YHCCLSZRKRDRLB-HUUCEWRRSA-N 0 3 315.461 3.177 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001752723723 1201900803 /nfs/dbraw/zinc/90/08/03/1201900803.db2.gz UNHDOUDHCLTGGO-GASCZTMLSA-N 0 3 322.811 3.019 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001752753926 1201907395 /nfs/dbraw/zinc/90/73/95/1201907395.db2.gz UIVBZFQXCSEOEP-OKILXGFUSA-N 0 3 324.827 3.428 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001752775700 1201914820 /nfs/dbraw/zinc/91/48/20/1201914820.db2.gz SGVLZXAMCKVOFU-IYBDPMFKSA-N 0 3 320.864 3.344 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001752786780 1201921762 /nfs/dbraw/zinc/92/17/62/1201921762.db2.gz ZEOWNKNQRUTBKI-WMZOPIPTSA-N 0 3 315.461 3.012 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)CCCNCc1ccccc1C#N ZINC001699527113 1201935360 /nfs/dbraw/zinc/93/53/60/1201935360.db2.gz KQJUJODLHOMASG-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001699533094 1201937146 /nfs/dbraw/zinc/93/71/46/1201937146.db2.gz BDWVBVBLFVKZBO-GFCCVEGCSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1cc(C)ns1)C1CC1 ZINC001699590740 1201962626 /nfs/dbraw/zinc/96/26/26/1201962626.db2.gz VFJAXFDSOGCETL-RDJZCZTQSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001699621897 1201985410 /nfs/dbraw/zinc/98/54/10/1201985410.db2.gz NSGXKTVVIVVBKZ-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001699624207 1201986227 /nfs/dbraw/zinc/98/62/27/1201986227.db2.gz CSTNATLMFJYXDQ-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001699632952 1201999042 /nfs/dbraw/zinc/99/90/42/1201999042.db2.gz KPOKHCSFGPJXTP-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001699648124 1202012607 /nfs/dbraw/zinc/01/26/07/1202012607.db2.gz WOKOVSLSAXIXHQ-ZBFHGGJFSA-N 0 3 311.429 3.327 20 30 DGEDHN CCC(C)(C)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001699653291 1202017044 /nfs/dbraw/zinc/01/70/44/1202017044.db2.gz VPXTVXSPDYPWMS-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccc(F)cc2)CC1 ZINC001699659017 1202018811 /nfs/dbraw/zinc/01/88/11/1202018811.db2.gz KCJWBBVFRZBQFS-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC001699671871 1202026828 /nfs/dbraw/zinc/02/68/28/1202026828.db2.gz NPVAWLBPTFRERJ-UHFFFAOYSA-N 0 3 318.420 3.229 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001699677308 1202027875 /nfs/dbraw/zinc/02/78/75/1202027875.db2.gz QBDRGYPNVKFVPY-INIZCTEOSA-N 0 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C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001753114118 1202143906 /nfs/dbraw/zinc/14/39/06/1202143906.db2.gz CDQUTZZCVSXSKL-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@H](C)CCC)C2)CC1 ZINC001699976688 1202154515 /nfs/dbraw/zinc/15/45/15/1202154515.db2.gz SNQNACANDYLGPF-IEBWSBKVSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C/C=C(/C)C=C)C2)CC1 ZINC001699976953 1202154896 /nfs/dbraw/zinc/15/48/96/1202154896.db2.gz ZAHMDUVVOMWCMI-IABUVPNTSA-N 0 3 314.473 3.093 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)C1CCC1 ZINC001700091170 1202177455 /nfs/dbraw/zinc/17/74/55/1202177455.db2.gz OJUBSHJBGCNGOU-MRXNPFEDSA-N 0 3 312.457 3.194 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccccc2F)cc1 ZINC001700096391 1202180105 /nfs/dbraw/zinc/18/01/05/1202180105.db2.gz SMGUXYRZLJBNIZ-OAHLLOKOSA-N 0 3 324.399 3.430 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC001700100162 1202181274 /nfs/dbraw/zinc/18/12/74/1202181274.db2.gz 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C=CCCCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2C)C1 ZINC001713085885 1202615720 /nfs/dbraw/zinc/61/57/20/1202615720.db2.gz MHWKEBGLKLRQHS-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC001713089712 1202616416 /nfs/dbraw/zinc/61/64/16/1202616416.db2.gz MRBRXHSJUXHEEO-MSOLQXFVSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCCOC(C)C)C2)CCCC1 ZINC001713090275 1202616433 /nfs/dbraw/zinc/61/64/33/1202616433.db2.gz HANBWVSXZFQXSP-KRWDZBQOSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2(CC=C)CCCCC2)CC1 ZINC001713098967 1202616915 /nfs/dbraw/zinc/61/69/15/1202616915.db2.gz ZCUGVUYLNJFLRP-QGZVFWFLSA-N 0 3 314.473 3.117 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccsc1 ZINC001713142416 1202621591 /nfs/dbraw/zinc/62/15/91/1202621591.db2.gz UFSBXDSFRXMPHP-CALCHBBNSA-N 0 3 318.486 3.322 20 30 DGEDHN C[C@@]1(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC=CCC1 ZINC001713161449 1202622999 /nfs/dbraw/zinc/62/29/99/1202622999.db2.gz VVPWWIKZFWEUIU-SFHLNBCPSA-N 0 3 322.452 3.021 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001713271457 1202633856 /nfs/dbraw/zinc/63/38/56/1202633856.db2.gz JCZUFDQRXPORLJ-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001713289075 1202636161 /nfs/dbraw/zinc/63/61/61/1202636161.db2.gz OJQXWUVTOHBHHQ-WLYUNCDWSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC001713378120 1202642953 /nfs/dbraw/zinc/64/29/53/1202642953.db2.gz ZYKIRMPBZIPNAF-GJZGRUSLSA-N 0 3 319.449 3.021 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC001713378119 1202643059 /nfs/dbraw/zinc/64/30/59/1202643059.db2.gz ZYKIRMPBZIPNAF-CABCVRRESA-N 0 3 319.449 3.021 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001713397914 1202645296 /nfs/dbraw/zinc/64/52/96/1202645296.db2.gz SAOCSYPRONJAED-IEBWSBKVSA-N 0 3 312.457 3.045 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC001713397125 1202645344 /nfs/dbraw/zinc/64/53/44/1202645344.db2.gz GURUGYROUCBCBW-INIZCTEOSA-N 0 3 320.383 3.184 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001713400442 1202645726 /nfs/dbraw/zinc/64/57/26/1202645726.db2.gz ICOJPHGZDPJZKV-OAHLLOKOSA-N 0 3 304.478 3.005 20 30 DGEDHN C[C@@H](CCNC(=O)[C@@H](C)C(C)(C)C)NCc1ccccc1C#N ZINC001713410047 1202646984 /nfs/dbraw/zinc/64/69/84/1202646984.db2.gz DOMXUSZXTWZQCI-LSDHHAIUSA-N 0 3 315.461 3.225 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1ccccc1C ZINC001713422057 1202648010 /nfs/dbraw/zinc/64/80/10/1202648010.db2.gz DWYQGVYYNNNWQK-CABCVRRESA-N 0 3 308.853 3.335 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001713423225 1202648086 /nfs/dbraw/zinc/64/80/86/1202648086.db2.gz LWEPOOHOCLEOFC-GFCCVEGCSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCCC(=O)NCCC[C@@H]1CCCN1Cc1cncc(F)c1 ZINC001713427148 1202648631 /nfs/dbraw/zinc/64/86/31/1202648631.db2.gz BKKAKJXGTJHTMS-QGZVFWFLSA-N 0 3 319.424 3.048 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001713474415 1202655672 /nfs/dbraw/zinc/65/56/72/1202655672.db2.gz XHBASKRHBMBJOL-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001713474452 1202655789 /nfs/dbraw/zinc/65/57/89/1202655789.db2.gz YXSOTKDGPISQJD-UHFFFAOYSA-N 0 3 304.478 3.217 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cscc1C(F)(F)F ZINC001713479272 1202656711 /nfs/dbraw/zinc/65/67/11/1202656711.db2.gz RFGLYCJSEYUGDQ-UHFFFAOYSA-N 0 3 306.353 3.005 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001713497850 1202660654 /nfs/dbraw/zinc/66/06/54/1202660654.db2.gz AWNCRAOBJROJFE-QGZVFWFLSA-N 0 3 306.425 3.189 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc(Cl)s1 ZINC001713519126 1202664275 /nfs/dbraw/zinc/66/42/75/1202664275.db2.gz STBRWDAGXGUILK-LBPRGKRZSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCN(CCNC(=O)CC(C)(C)c1ccc(F)cc1)C1CC1 ZINC001713557345 1202670074 /nfs/dbraw/zinc/67/00/74/1202670074.db2.gz GXELTVOHVRYPKH-UHFFFAOYSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC001713565436 1202671558 /nfs/dbraw/zinc/67/15/58/1202671558.db2.gz LZEPKJXOSKJWND-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC001713700991 1202678597 /nfs/dbraw/zinc/67/85/97/1202678597.db2.gz JYCIOUJERHHMQT-GOSISDBHSA-N 0 3 319.408 3.415 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC001713700878 1202678602 /nfs/dbraw/zinc/67/86/02/1202678602.db2.gz JCLSOTVKBIBBIF-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C12CCC(CC1)C2)c1ccccc1 ZINC001713701954 1202678771 /nfs/dbraw/zinc/67/87/71/1202678771.db2.gz ZGGCPQAPEKEUHY-IPCDKGFNSA-N 0 3 310.441 3.037 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC001713703009 1202678880 /nfs/dbraw/zinc/67/88/80/1202678880.db2.gz UJRKAWNARMNKJT-HKUYNNGSSA-N 0 3 310.441 3.203 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccccc2C)C1 ZINC001713713807 1202680142 /nfs/dbraw/zinc/68/01/42/1202680142.db2.gz MDRRLQKBHSNEOJ-KRWDZBQOSA-N 0 3 300.446 3.498 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001713716078 1202680603 /nfs/dbraw/zinc/68/06/03/1202680603.db2.gz IOUJDHDEZMRBTB-XLIONFOSSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CN(C)Cc2ncccc2C)C1 ZINC001713755393 1202686496 /nfs/dbraw/zinc/68/64/96/1202686496.db2.gz BZNYIWMMPMADBW-QGZVFWFLSA-N 0 3 315.461 3.027 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)Cc2ccccc2C)CC1 ZINC001713785167 1202690178 /nfs/dbraw/zinc/69/01/78/1202690178.db2.gz LUHZNOFXHMWYCK-KRWDZBQOSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001713794428 1202691761 /nfs/dbraw/zinc/69/17/61/1202691761.db2.gz SQAYGYRXKMOHPG-ZWKOTPCHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001713857380 1202696238 /nfs/dbraw/zinc/69/62/38/1202696238.db2.gz SVSXKBNSAMLWFM-KRWDZBQOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)o1 ZINC001713927818 1202703036 /nfs/dbraw/zinc/70/30/36/1202703036.db2.gz MFYVKOMLDNZVPO-AVGNSLFASA-N 0 3 308.809 3.186 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C(/C)C1CC1 ZINC001713928402 1202703112 /nfs/dbraw/zinc/70/31/12/1202703112.db2.gz HIMCNXRMIKMIPW-BUSTWTSYSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2c(C)cccc2Cl)C1 ZINC001713943877 1202704293 /nfs/dbraw/zinc/70/42/93/1202704293.db2.gz JANFZYFOPUJOOO-HDJSIYSDSA-N 0 3 306.837 3.351 20 30 DGEDHN CCC1(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001713962825 1202707805 /nfs/dbraw/zinc/70/78/05/1202707805.db2.gz RKHAHSIMRRYRBZ-WGSAOQKQSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001713968150 1202710291 /nfs/dbraw/zinc/71/02/91/1202710291.db2.gz MRDDUSDTHHSDAX-VHVAZGQRSA-N 0 3 318.848 3.388 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001714021359 1202731734 /nfs/dbraw/zinc/73/17/34/1202731734.db2.gz UBQUWDYWKDGWTQ-IXDOHACOSA-N 0 3 318.848 3.336 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccc(C)cc2C)C1 ZINC001714046178 1202749569 /nfs/dbraw/zinc/74/95/69/1202749569.db2.gz YYNATDPJEADHEK-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001714047385 1202750781 /nfs/dbraw/zinc/75/07/81/1202750781.db2.gz XZYFQZYGWKZXGP-GOSISDBHSA-N 0 3 314.473 3.263 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001714048457 1202751114 /nfs/dbraw/zinc/75/11/14/1202751114.db2.gz BRBURIGNMZQRKP-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cccc(CC)c1 ZINC001714106880 1202780013 /nfs/dbraw/zinc/78/00/13/1202780013.db2.gz DEJNJWGXLMOYBO-LJQANCHMSA-N 0 3 314.473 3.338 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001714109263 1202781546 /nfs/dbraw/zinc/78/15/46/1202781546.db2.gz WSSIAUSIWOOTEH-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N[C@H](C)c1ccccc1F ZINC001714227678 1202839955 /nfs/dbraw/zinc/83/99/55/1202839955.db2.gz DHRCUWAEZSFIQY-HUUCEWRRSA-N 0 3 304.409 3.175 20 30 DGEDHN C[C@@H](CNC(=O)CC1CC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001714268983 1202856456 /nfs/dbraw/zinc/85/64/56/1202856456.db2.gz VLLRCMWNBNBVHZ-LBPRGKRZSA-N 0 3 319.474 3.040 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001714304818 1202872861 /nfs/dbraw/zinc/87/28/61/1202872861.db2.gz RIJRZHSVLPTYRZ-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](CC)CC(F)F)cc1 ZINC001714319436 1202880461 /nfs/dbraw/zinc/88/04/61/1202880461.db2.gz FIKIZXZFLJONCD-INIZCTEOSA-N 0 3 322.399 3.097 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001714499590 1202964951 /nfs/dbraw/zinc/96/49/51/1202964951.db2.gz FIEZSAGRNROCCX-OLZOCXBDSA-N 0 3 312.816 3.166 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001714501023 1202965098 /nfs/dbraw/zinc/96/50/98/1202965098.db2.gz WQNWBZRJKLGJML-KGLIPLIRSA-N 0 3 324.852 3.036 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)/C=C/c1ccc[nH]1 ZINC001714511206 1202972024 /nfs/dbraw/zinc/97/20/24/1202972024.db2.gz JEGYIPKPABAUDC-FDMDGMSGSA-N 0 3 321.852 3.141 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccccc2C)CCCC1 ZINC001714510800 1202972792 /nfs/dbraw/zinc/97/27/92/1202972792.db2.gz YEMMTMRYZVEJIP-UHFFFAOYSA-N 0 3 320.864 3.309 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1[nH]ccc1C ZINC001714514891 1202975557 /nfs/dbraw/zinc/97/55/57/1202975557.db2.gz TYJCNPFRROTGRZ-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@](C)(CC)CCC)CC2 ZINC001714523883 1202977547 /nfs/dbraw/zinc/97/75/47/1202977547.db2.gz SXBMGYHADPJBGJ-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001714545844 1202990523 /nfs/dbraw/zinc/99/05/23/1202990523.db2.gz PCLNBACEGOIBME-OAHLLOKOSA-N 0 3 318.461 3.407 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001714548743 1202992077 /nfs/dbraw/zinc/99/20/77/1202992077.db2.gz XCXGYKCNSBULOW-UHFFFAOYSA-N 0 3 306.425 3.118 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001714549820 1202994395 /nfs/dbraw/zinc/99/43/95/1202994395.db2.gz REBFSYFPKGIWMP-CABCVRRESA-N 0 3 320.864 3.174 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001714615862 1203050836 /nfs/dbraw/zinc/05/08/36/1203050836.db2.gz ANKZEHMPRJTNQY-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001714625873 1203060067 /nfs/dbraw/zinc/06/00/67/1203060067.db2.gz NWENVIKFSHZGNL-QGZVFWFLSA-N 0 3 314.473 3.429 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001714632898 1203064243 /nfs/dbraw/zinc/06/42/43/1203064243.db2.gz GRZOIEUAAALZJO-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001714633925 1203064586 /nfs/dbraw/zinc/06/45/86/1203064586.db2.gz KQRVRUNHIGLCKS-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(C(C)C)c1 ZINC001714658470 1203081714 /nfs/dbraw/zinc/08/17/14/1203081714.db2.gz FHUINPCZGGBSLZ-UHFFFAOYSA-N 0 3 300.446 3.275 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2cc(Cl)ccc2C)CC1 ZINC000188155449 1203097375 /nfs/dbraw/zinc/09/73/75/1203097375.db2.gz KXRCALBZPFTXDH-UHFFFAOYSA-N 0 3 321.852 3.098 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001714767504 1203122013 /nfs/dbraw/zinc/12/20/13/1203122013.db2.gz SBJIXCREIKRVAV-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc2ncccc2o1)c1ccccc1 ZINC001714835768 1203146048 /nfs/dbraw/zinc/14/60/48/1203146048.db2.gz FKEZGTYUQWPLTK-INIZCTEOSA-N 0 3 321.380 3.075 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC(C)C ZINC001714850761 1203151279 /nfs/dbraw/zinc/15/12/79/1203151279.db2.gz LYMPRHCSLPRFAI-ZIFCJYIRSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CCc1ccccc1)c1ccccc1 ZINC001714851543 1203152115 /nfs/dbraw/zinc/15/21/15/1203152115.db2.gz XIWOPRKRCMDXEH-IBGZPJMESA-N 0 3 308.425 3.252 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc[nH]c2CC)C1 ZINC001714855610 1203155415 /nfs/dbraw/zinc/15/54/15/1203155415.db2.gz NFPLHBKPBDMIRG-OAHLLOKOSA-N 0 3 303.450 3.080 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001714964954 1203220015 /nfs/dbraw/zinc/22/00/15/1203220015.db2.gz CONBIVAIMFTPRW-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001714971002 1203221597 /nfs/dbraw/zinc/22/15/97/1203221597.db2.gz BVNDSQPGZBXJHZ-FQEVSTJZSA-N 0 3 314.473 3.454 20 30 DGEDHN C=C(C)[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C)OCC ZINC001714988518 1203227210 /nfs/dbraw/zinc/22/72/10/1203227210.db2.gz MYISFNIMJJLUOW-BZSNNMDCSA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CC)CC2CCCC2)C1 ZINC001715023177 1203241940 /nfs/dbraw/zinc/24/19/40/1203241940.db2.gz FKVJUAJKVVJLLB-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001715050505 1203255494 /nfs/dbraw/zinc/25/54/94/1203255494.db2.gz AEDAAVWPXISDDT-MAUKXSAKSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1ccc(Cl)nc1 ZINC001715068949 1203261648 /nfs/dbraw/zinc/26/16/48/1203261648.db2.gz BXNJYHHVAAGWQL-WMLDXEAASA-N 0 3 323.868 3.322 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)C)NCC#Cc1ccccc1Cl ZINC001715083123 1203266603 /nfs/dbraw/zinc/26/66/03/1203266603.db2.gz IWGZVXMONZWDST-HNNXBMFYSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CC(C)(C)C1CC1)C1CC1 ZINC001715105234 1203273816 /nfs/dbraw/zinc/27/38/16/1203273816.db2.gz AWEWMSVYYQTKNM-QGZVFWFLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001715116258 1203276744 /nfs/dbraw/zinc/27/67/44/1203276744.db2.gz JGOGHJCNROQRDE-JLJPHGGASA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001715138688 1203283196 /nfs/dbraw/zinc/28/31/96/1203283196.db2.gz TZZUSBTUITYLSZ-NRMKIYEFSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC2CCCCC2)cc1 ZINC001715192715 1203293104 /nfs/dbraw/zinc/29/31/04/1203293104.db2.gz GCODGPSCMNOAMB-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN CC(C)=CC(=O)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC001715200882 1203294756 /nfs/dbraw/zinc/29/47/56/1203294756.db2.gz PNGCOTBFKFDXCO-UHFFFAOYSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001715288314 1203307369 /nfs/dbraw/zinc/30/73/69/1203307369.db2.gz HRUHZWGHEOQQKK-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001715354424 1203322149 /nfs/dbraw/zinc/32/21/49/1203322149.db2.gz JXIKVEJOHFHOMN-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CCCc1ccccc1Cl ZINC001715518503 1203359512 /nfs/dbraw/zinc/35/95/12/1203359512.db2.gz CTXOXQXYNKQXLI-UHFFFAOYSA-N 0 3 308.853 3.239 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001715526571 1203361574 /nfs/dbraw/zinc/36/15/74/1203361574.db2.gz WUMNLEFJPYFNLF-ZWKOTPCHSA-N 0 3 318.436 3.286 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001715528524 1203362577 /nfs/dbraw/zinc/36/25/77/1203362577.db2.gz WBTOMEKANWABTM-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CCc1cccc(C)c1 ZINC001715669441 1203379116 /nfs/dbraw/zinc/37/91/16/1203379116.db2.gz IYAIZNWUFKRUBQ-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001715675473 1203379745 /nfs/dbraw/zinc/37/97/45/1203379745.db2.gz BCTGSLSUQZDZPC-MLGOLLRUSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNCc1oc(C(C)C)nc1C ZINC001715674925 1203379949 /nfs/dbraw/zinc/37/99/49/1203379949.db2.gz ZSFYAWQKVATTQU-CYBMUJFWSA-N 0 3 321.465 3.303 20 30 DGEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)CCC1(C)CC1 ZINC001715698323 1203381653 /nfs/dbraw/zinc/38/16/53/1203381653.db2.gz INESPWJIFCFRAK-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001715702221 1203382013 /nfs/dbraw/zinc/38/20/13/1203382013.db2.gz WFZCLGMOPXJBEY-IILDEKEXSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001715758870 1203389224 /nfs/dbraw/zinc/38/92/24/1203389224.db2.gz HPOZIBOEDDGPPD-UHFFFAOYSA-N 0 3 319.474 3.160 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1oc2c(cccc2C)c1C ZINC001715777598 1203391563 /nfs/dbraw/zinc/39/15/63/1203391563.db2.gz NQFIVJHSTRLGPO-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C#Cc1ccc(C(=O)NC/C=C\CNCc2csc(C)c2)cc1 ZINC001715855937 1203397877 /nfs/dbraw/zinc/39/78/77/1203397877.db2.gz WXLNLPJYVZRGHH-PLNGDYQASA-N 0 3 324.449 3.114 20 30 DGEDHN CCC(C)(CC)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001715915020 1203403061 /nfs/dbraw/zinc/40/30/61/1203403061.db2.gz XORMLIQKSFWNJS-VOTSOKGWSA-N 0 3 313.445 3.147 20 30 DGEDHN CCC(C)(CC)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001715915019 1203403207 /nfs/dbraw/zinc/40/32/07/1203403207.db2.gz XORMLIQKSFWNJS-SREVYHEPSA-N 0 3 313.445 3.147 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001715923511 1203404958 /nfs/dbraw/zinc/40/49/58/1203404958.db2.gz VDNUCKMBSLJOOR-CQSZACIVSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@@H](C)CC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001715972225 1203413839 /nfs/dbraw/zinc/41/38/39/1203413839.db2.gz HGIONZDHBXPWRC-CABCVRRESA-N 0 3 320.864 3.222 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(CC)c1 ZINC001716036192 1203431014 /nfs/dbraw/zinc/43/10/14/1203431014.db2.gz XMHMHFPOCSNQAD-OAHLLOKOSA-N 0 3 302.462 3.398 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001716174226 1203446095 /nfs/dbraw/zinc/44/60/95/1203446095.db2.gz OBLWDTFYBWCDHY-NEPJUHHUSA-N 0 3 300.855 3.089 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2c(c1)CCC=C2 ZINC001716187809 1203447431 /nfs/dbraw/zinc/44/74/31/1203447431.db2.gz RKMPGCRQPNODRY-CQSZACIVSA-N 0 3 318.848 3.497 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(CCC)c(C)s1 ZINC001716256860 1203454400 /nfs/dbraw/zinc/45/44/00/1203454400.db2.gz UXIHTHMCJXGSRD-UHFFFAOYSA-N 0 3 306.475 3.084 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(CC)c(CCC)s1 ZINC001716256878 1203454561 /nfs/dbraw/zinc/45/45/61/1203454561.db2.gz VPDPTZQAROOLPE-UHFFFAOYSA-N 0 3 320.502 3.338 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001716329397 1203459381 /nfs/dbraw/zinc/45/93/81/1203459381.db2.gz BUMOMQGNPWVMSS-RTRPANQVSA-N 0 3 316.420 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccccc1OC(C)C ZINC001716448842 1203475814 /nfs/dbraw/zinc/47/58/14/1203475814.db2.gz RFDKVPKNHILWDS-HNNXBMFYSA-N 0 3 318.461 3.280 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001716458736 1203477997 /nfs/dbraw/zinc/47/79/97/1203477997.db2.gz UPYAGEHHHMMVHY-SUMWQHHRSA-N 0 3 321.490 3.430 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001716652810 1203513898 /nfs/dbraw/zinc/51/38/98/1203513898.db2.gz VLMWJSXEAIZKCO-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001716660286 1203516412 /nfs/dbraw/zinc/51/64/12/1203516412.db2.gz PJGWMVWSJCBSJE-UYAOXDASSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001716664245 1203518419 /nfs/dbraw/zinc/51/84/19/1203518419.db2.gz OWFWQXGWSAUVAI-HUUCEWRRSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001716664040 1203518704 /nfs/dbraw/zinc/51/87/04/1203518704.db2.gz KCIYCJRZHYHEOW-ZBFHGGJFSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001716690063 1203525816 /nfs/dbraw/zinc/52/58/16/1203525816.db2.gz SEAUDVMEWDLCEX-LBPRGKRZSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccc(OC)cc2)CC1 ZINC001716695056 1203526942 /nfs/dbraw/zinc/52/69/42/1203526942.db2.gz ZEQXIWLTKVHPRY-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCO[C@H](C)CC(C)C ZINC001716710524 1203530145 /nfs/dbraw/zinc/53/01/45/1203530145.db2.gz HCAGLLWJBVVFQB-KURKYZTESA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001716725718 1203532625 /nfs/dbraw/zinc/53/26/25/1203532625.db2.gz YHMUWZGYVTWMDW-FUHWJXTLSA-N 0 3 310.457 3.405 20 30 DGEDHN C#CCN(C(=O)c1sccc1C)C1CCN(CC(=C)C)CC1 ZINC001716802936 1203545149 /nfs/dbraw/zinc/54/51/49/1203545149.db2.gz PSUFQUPQPXWJRG-UHFFFAOYSA-N 0 3 316.470 3.172 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001716900302 1203566255 /nfs/dbraw/zinc/56/62/55/1203566255.db2.gz XELHODGJIJDCCW-MAUKXSAKSA-N 0 3 318.486 3.093 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001717005691 1203576737 /nfs/dbraw/zinc/57/67/37/1203576737.db2.gz KRWPCUMVEIJLPX-ZCNNSNEGSA-N 0 3 324.468 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001717103540 1203584799 /nfs/dbraw/zinc/58/47/99/1203584799.db2.gz FRIKCXOCCMLSEH-HUUCEWRRSA-N 0 3 300.874 3.393 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](CC)SC)cc1 ZINC001717115503 1203586616 /nfs/dbraw/zinc/58/66/16/1203586616.db2.gz NDPDSWOROAIADL-PBHICJAKSA-N 0 3 318.486 3.118 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(C)nc2C)CCC1 ZINC001717156292 1203592588 /nfs/dbraw/zinc/59/25/88/1203592588.db2.gz TUBXUJOZDAXNAG-UHFFFAOYSA-N 0 3 315.461 3.039 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001717246929 1203609503 /nfs/dbraw/zinc/60/95/03/1203609503.db2.gz WEOGSSHCBHHZME-HKUYNNGSSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001717247705 1203610056 /nfs/dbraw/zinc/61/00/56/1203610056.db2.gz NJXLVFOFTMOJGV-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001717247704 1203610210 /nfs/dbraw/zinc/61/02/10/1203610210.db2.gz NJXLVFOFTMOJGV-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)C#CC(C)C)cc2C1 ZINC001717269965 1203611192 /nfs/dbraw/zinc/61/11/92/1203611192.db2.gz GMTAZIWSXQGFFF-UHFFFAOYSA-N 0 3 310.441 3.244 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC001717327209 1203618433 /nfs/dbraw/zinc/61/84/33/1203618433.db2.gz GKWNRUCMKOONNQ-WMLDXEAASA-N 0 3 318.486 3.329 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1cccc(F)c1F ZINC001717376269 1203630935 /nfs/dbraw/zinc/63/09/35/1203630935.db2.gz NBUVYDOHRHLPMV-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717400835 1203636611 /nfs/dbraw/zinc/63/66/11/1203636611.db2.gz KNGQZCOEFOUYGR-CABCVRRESA-N 0 3 318.848 3.141 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C12CCC(CC1)C2 ZINC001717414220 1203639259 /nfs/dbraw/zinc/63/92/59/1203639259.db2.gz CHZIWUHDNXBSAL-OFNGQUKOSA-N 0 3 324.468 3.101 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1)CC ZINC001717468854 1203653885 /nfs/dbraw/zinc/65/38/85/1203653885.db2.gz UPCLEZTWOWIBAJ-OAHLLOKOSA-N 0 3 313.445 3.241 20 30 DGEDHN CCC(=CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1)CC ZINC001717468853 1203653905 /nfs/dbraw/zinc/65/39/05/1203653905.db2.gz UPCLEZTWOWIBAJ-HNNXBMFYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)CCc1scnc1C ZINC001717484356 1203659911 /nfs/dbraw/zinc/65/99/11/1203659911.db2.gz VWYGUHUQDNHXQK-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)Cc2ccc(F)cc2)C1 ZINC001717486578 1203660920 /nfs/dbraw/zinc/66/09/20/1203660920.db2.gz AEVVQKUUIRWMKN-CQSZACIVSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C[C@@H](C(=O)NC1(CNCCF)CCCCC1)c1ccccc1 ZINC001717528487 1203672517 /nfs/dbraw/zinc/67/25/17/1203672517.db2.gz ZNPUCUHKCKBXCQ-QGZVFWFLSA-N 0 3 318.436 3.334 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001717794176 1203712795 /nfs/dbraw/zinc/71/27/95/1203712795.db2.gz TZHYETVROXKIRJ-NWDGAFQWSA-N 0 3 305.249 3.241 20 30 DGEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC001717686536 1203699005 /nfs/dbraw/zinc/69/90/05/1203699005.db2.gz DXRRYIJWIXSZMP-OLZOCXBDSA-N 0 3 319.287 3.062 20 30 DGEDHN CCCC(=O)N1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001717785752 1203711993 /nfs/dbraw/zinc/71/19/93/1203711993.db2.gz DVNYFULFWGUITL-YOEHRIQHSA-N 0 3 318.848 3.071 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001717794330 1203712813 /nfs/dbraw/zinc/71/28/13/1203712813.db2.gz WAYBEPTVEMCLQM-RHSMWYFYSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@@H]1C ZINC001717812000 1203715399 /nfs/dbraw/zinc/71/53/99/1203715399.db2.gz JQUIBRQCFIIGTI-KBPBESRZSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(CC)cc2)[C@@H]1C ZINC001717860372 1203724137 /nfs/dbraw/zinc/72/41/37/1203724137.db2.gz KPHJOZOQIXBOCP-LPHOPBHVSA-N 0 3 314.473 3.337 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCCN(CCCF)[C@H]2C)CCCCC1 ZINC001717861917 1203724507 /nfs/dbraw/zinc/72/45/07/1203724507.db2.gz BUDMRLPAQOWHIV-DLBZAZTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc(C)ccc2F)C(C)(C)C1 ZINC001717890750 1203728905 /nfs/dbraw/zinc/72/89/05/1203728905.db2.gz SGDHFZPQMGCIMP-QGZVFWFLSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001717903961 1203730310 /nfs/dbraw/zinc/73/03/10/1203730310.db2.gz CGMNBMJQUIKCMN-WBVHZDCISA-N 0 3 318.436 3.142 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C1CCN(Cc2ccccn2)CC1 ZINC001717978807 1203739273 /nfs/dbraw/zinc/73/92/73/1203739273.db2.gz JQUJJHRLIYDJNK-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H]3CC[C@H](C)C3)CC2)CC1 ZINC001718003038 1203742853 /nfs/dbraw/zinc/74/28/53/1203742853.db2.gz BKZHVOINCKNJKB-IRXDYDNUSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccsc1C(F)F ZINC001723184565 1203959528 /nfs/dbraw/zinc/95/95/28/1203959528.db2.gz PAEDWOYWJOUFAO-UHFFFAOYSA-N 0 3 322.808 3.490 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001723412032 1203968777 /nfs/dbraw/zinc/96/87/77/1203968777.db2.gz OJVHITMATDCOJY-QGZVFWFLSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001723482621 1203978349 /nfs/dbraw/zinc/97/83/49/1203978349.db2.gz DEOUFSWLALKYFX-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001723485704 1203978749 /nfs/dbraw/zinc/97/87/49/1203978749.db2.gz YPBWLUNDQISRBM-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN N#Cc1cccc(CNC2(CNC(=O)C3=CCCCCC3)CC2)c1 ZINC001723509657 1203979989 /nfs/dbraw/zinc/97/99/89/1203979989.db2.gz TXHUQSNKFSPVBN-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC(C)C ZINC001723631764 1203986148 /nfs/dbraw/zinc/98/61/48/1203986148.db2.gz JIZMPERQWKXBHE-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001724126269 1204006239 /nfs/dbraw/zinc/00/62/39/1204006239.db2.gz QNJULQKZSADKRQ-VTSXBNNFSA-N 0 3 322.880 3.247 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2ccccc2C)C1 ZINC001724176598 1204012003 /nfs/dbraw/zinc/01/20/03/1204012003.db2.gz XDEGVQAHIQWHPE-IBGZPJMESA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)c1ccccc1CC ZINC001724512116 1204026875 /nfs/dbraw/zinc/02/68/75/1204026875.db2.gz QAQGPFFWDUJXAI-SLYNCCJLSA-N 0 3 324.468 3.209 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001724609463 1204032462 /nfs/dbraw/zinc/03/24/62/1204032462.db2.gz YAWDEKWSCJWFKG-LOTJYQEQSA-N 0 3 319.276 3.202 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CC(C)C ZINC001724653644 1204036287 /nfs/dbraw/zinc/03/62/87/1204036287.db2.gz KORXJMPNOUQOIW-RCCFBDPRSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC001724729652 1204040468 /nfs/dbraw/zinc/04/04/68/1204040468.db2.gz QBKZIHBASCYJTG-HIFRSBDPSA-N 0 3 324.852 3.039 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC001724730769 1204040682 /nfs/dbraw/zinc/04/06/82/1204040682.db2.gz ZPLYJVWLCFUDLO-INIZCTEOSA-N 0 3 320.864 3.498 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001724735711 1204040932 /nfs/dbraw/zinc/04/09/32/1204040932.db2.gz ZVNBKNAGSYLHDO-ZDUSSCGKSA-N 0 3 310.869 3.003 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2CC(F)(F)C2)cc1 ZINC001724739656 1204042003 /nfs/dbraw/zinc/04/20/03/1204042003.db2.gz ABNCWQUXESNCSL-ZDUSSCGKSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccoc2C)cc1 ZINC001724743678 1204042796 /nfs/dbraw/zinc/04/27/96/1204042796.db2.gz WQMMNXDKDLRCLK-CQSZACIVSA-N 0 3 310.397 3.192 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2CC(C)(C)C2)cc1 ZINC001724745831 1204042979 /nfs/dbraw/zinc/04/29/79/1204042979.db2.gz SHJLOFINIXMHQJ-HNNXBMFYSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC3CCC2CC3)cc1 ZINC001724746455 1204043074 /nfs/dbraw/zinc/04/30/74/1204043074.db2.gz MOMIXEMOALGLPP-FSROGBMZSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)C2CCC2)cc1 ZINC001724752199 1204043501 /nfs/dbraw/zinc/04/35/01/1204043501.db2.gz YSBUCWXGUWBIEY-OAHLLOKOSA-N 0 3 312.457 3.413 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001724783942 1204046775 /nfs/dbraw/zinc/04/67/75/1204046775.db2.gz HRHLUEZDSTXHQM-UHFFFAOYSA-N 0 3 304.409 3.311 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2scnc2C)CCC1 ZINC001724785110 1204047115 /nfs/dbraw/zinc/04/71/15/1204047115.db2.gz LOMLVZCLGGQKNH-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CCCC2CCCCC2)CC1 ZINC001724843312 1204053803 /nfs/dbraw/zinc/05/38/03/1204053803.db2.gz JEYUATIIQWXSOT-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccccc1C(C)(C)C ZINC001724850270 1204056130 /nfs/dbraw/zinc/05/61/30/1204056130.db2.gz BSOASDNPAVFSJG-UHFFFAOYSA-N 0 3 300.446 3.011 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001724860260 1204060476 /nfs/dbraw/zinc/06/04/76/1204060476.db2.gz HHLJTRQNEQAQON-MSOLQXFVSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2coc(C)n2)CC1 ZINC001724883060 1204062045 /nfs/dbraw/zinc/06/20/45/1204062045.db2.gz FGASQHMTMGYPKG-UHFFFAOYSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)CC1CC1 ZINC001724892607 1204063576 /nfs/dbraw/zinc/06/35/76/1204063576.db2.gz HERNKFYVFGZHJU-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CC[C@H](C)OC)cc2C1 ZINC001724922230 1204066145 /nfs/dbraw/zinc/06/61/45/1204066145.db2.gz DOHHWSOMXGHIDV-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001724942072 1204068154 /nfs/dbraw/zinc/06/81/54/1204068154.db2.gz WFGFBPWSZPLOTL-NWDGAFQWSA-N 0 3 305.249 3.098 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C2)C1 ZINC001724942116 1204068198 /nfs/dbraw/zinc/06/81/98/1204068198.db2.gz IBJGLBFPUVFARI-NEPJUHHUSA-N 0 3 317.260 3.098 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC=C2 ZINC001725051871 1204086712 /nfs/dbraw/zinc/08/67/12/1204086712.db2.gz DXLLHPLDHJOJOS-LJQANCHMSA-N 0 3 310.441 3.368 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)c(F)c(C)c1 ZINC001725056946 1204087200 /nfs/dbraw/zinc/08/72/00/1204087200.db2.gz GIJVXFJXEUAMQI-INIZCTEOSA-N 0 3 304.409 3.165 20 30 DGEDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)c(C)o1 ZINC001725083650 1204091148 /nfs/dbraw/zinc/09/11/48/1204091148.db2.gz VJEBJVZGAKELIW-CVEARBPZSA-N 0 3 324.424 3.045 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001725086496 1204091861 /nfs/dbraw/zinc/09/18/61/1204091861.db2.gz JCQYTZFIKUTUOV-CABCVRRESA-N 0 3 304.409 3.002 20 30 DGEDHN CCCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001725086554 1204091888 /nfs/dbraw/zinc/09/18/88/1204091888.db2.gz ZYGGGOWQUJOAMT-IAGOWNOFSA-N 0 3 300.446 3.101 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001725138821 1204101869 /nfs/dbraw/zinc/10/18/69/1204101869.db2.gz ZJQYLOJPWLBEIT-ZWKOTPCHSA-N 0 3 312.457 3.267 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1C ZINC001725179504 1204112870 /nfs/dbraw/zinc/11/28/70/1204112870.db2.gz RRMYMSVTWWETQJ-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(CC)cc1 ZINC001725181936 1204113345 /nfs/dbraw/zinc/11/33/45/1204113345.db2.gz YBXNJAPHOZKMNQ-KRWDZBQOSA-N 0 3 314.473 3.379 20 30 DGEDHN C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001725207465 1204119255 /nfs/dbraw/zinc/11/92/55/1204119255.db2.gz GZVDGAQCGMREKR-OAHLLOKOSA-N 0 3 324.852 3.221 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCn2cccc2)CCCCC1 ZINC001725228340 1204121864 /nfs/dbraw/zinc/12/18/64/1204121864.db2.gz FABAPTJAHZBQDL-UHFFFAOYSA-N 0 3 323.868 3.039 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)c1ccco1 ZINC001725238336 1204125047 /nfs/dbraw/zinc/12/50/47/1204125047.db2.gz HBMNXUGPNSMSGI-DLBZAZTESA-N 0 3 316.445 3.157 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001725248365 1204127565 /nfs/dbraw/zinc/12/75/65/1204127565.db2.gz FYBQDCSTOMQWTQ-QGZVFWFLSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)CCC1 ZINC001725256288 1204128915 /nfs/dbraw/zinc/12/89/15/1204128915.db2.gz DQXBIXXRPDIDNA-MRXNPFEDSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCCC(=O)N[C@H]1CN(Cc2ccc(CF)cc2)CC1(C)C ZINC001725286331 1204132871 /nfs/dbraw/zinc/13/28/71/1204132871.db2.gz WAVFEXJPHWKFQB-KRWDZBQOSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1ccc(Cl)nc1)C1CC1 ZINC001725455030 1204152634 /nfs/dbraw/zinc/15/26/34/1204152634.db2.gz SLLHGLLEFLAUSG-HNNXBMFYSA-N 0 3 321.852 3.028 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001725573937 1204169669 /nfs/dbraw/zinc/16/96/69/1204169669.db2.gz UGNOYYVMTNURQG-CRAIPNDOSA-N 0 3 316.420 3.098 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC001725626944 1204184910 /nfs/dbraw/zinc/18/49/10/1204184910.db2.gz KSYFKQPPAPWOBM-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCCC(=O)N(CCN(C)CC1=CCCCC1)C(C)C ZINC001725728245 1204202598 /nfs/dbraw/zinc/20/25/98/1204202598.db2.gz MFQRYYXMGDTUFJ-UHFFFAOYSA-N 0 3 304.478 3.459 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)COc1cccc(C)c1)C(C)C ZINC001725733445 1204205439 /nfs/dbraw/zinc/20/54/39/1204205439.db2.gz PLUKGDIRKUYKBW-UHFFFAOYSA-N 0 3 318.461 3.119 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(CC)CCCCC2)CC1 ZINC001725763725 1204216347 /nfs/dbraw/zinc/21/63/47/1204216347.db2.gz HYKHASQJBPGUNK-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(C)(C)C=C)CC[C@H]1C(F)(F)F ZINC001725779773 1204220417 /nfs/dbraw/zinc/22/04/17/1204220417.db2.gz FUTNXYJOBLNHJW-OLZOCXBDSA-N 0 3 318.383 3.144 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001731247014 1204352289 /nfs/dbraw/zinc/35/22/89/1204352289.db2.gz DTSLBLXEDGGOKP-UHFFFAOYSA-N 0 3 314.420 3.054 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC001731288658 1204363125 /nfs/dbraw/zinc/36/31/25/1204363125.db2.gz GRPUTAGACMKPBP-MOIGAOQCSA-N 0 3 322.836 3.405 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C=C\c1ccc[nH]1 ZINC001731290617 1204364152 /nfs/dbraw/zinc/36/41/52/1204364152.db2.gz GNVGWTGTVYQBRD-LRPNZCEASA-N 0 3 321.852 3.140 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C(CCC)CCC)CC1 ZINC001731381291 1204389435 /nfs/dbraw/zinc/38/94/35/1204389435.db2.gz IRSBYEOVBDGNAJ-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001731382299 1204390165 /nfs/dbraw/zinc/39/01/65/1204390165.db2.gz AZDUNOQKUPDNEF-VYLZPFMQSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC23CCN(C[C@H](F)CC)CC3)CCC1 ZINC001731382443 1204390180 /nfs/dbraw/zinc/39/01/80/1204390180.db2.gz FBZORZCCITYYRW-HZPDHXFCSA-N 0 3 322.468 3.452 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001731386770 1204391461 /nfs/dbraw/zinc/39/14/61/1204391461.db2.gz BKQJWICBTSGKHY-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001731422912 1204408316 /nfs/dbraw/zinc/40/83/16/1204408316.db2.gz AMGPJPFMYGFDRX-MCIONIFRSA-N 0 3 312.404 3.062 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCC1 ZINC001731425677 1204409811 /nfs/dbraw/zinc/40/98/11/1204409811.db2.gz LPWSRFPMJHKHAO-HDICACEKSA-N 0 3 320.477 3.326 20 30 DGEDHN CCCCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001731436589 1204412152 /nfs/dbraw/zinc/41/21/52/1204412152.db2.gz ZQUBICACPHBYFG-AWEZNQCLSA-N 0 3 319.474 3.281 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001731439842 1204414053 /nfs/dbraw/zinc/41/40/53/1204414053.db2.gz BTLNBHMBHUFGNV-HDJSIYSDSA-N 0 3 310.800 3.182 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001731445896 1204414379 /nfs/dbraw/zinc/41/43/79/1204414379.db2.gz FATWKVSTYJVNJZ-HDJSIYSDSA-N 0 3 308.372 3.058 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001731452538 1204417357 /nfs/dbraw/zinc/41/73/57/1204417357.db2.gz YQRRIAGQSONABM-BPUTZDHNSA-N 0 3 304.409 3.165 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001731469397 1204423057 /nfs/dbraw/zinc/42/30/57/1204423057.db2.gz YYDUSDBFRRVSEW-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494611 1204432493 /nfs/dbraw/zinc/43/24/93/1204432493.db2.gz IYXHRARGPXSWNS-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494611 1204432500 /nfs/dbraw/zinc/43/25/00/1204432500.db2.gz IYXHRARGPXSWNS-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001731498565 1204435175 /nfs/dbraw/zinc/43/51/75/1204435175.db2.gz NSMQNZYODOGIGL-BQHJZSHBSA-N 0 3 312.457 3.494 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001731507818 1204437746 /nfs/dbraw/zinc/43/77/46/1204437746.db2.gz GWYDUWHCESSLBZ-ROUUACIJSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001731507034 1204437889 /nfs/dbraw/zinc/43/78/89/1204437889.db2.gz PNSMMUJVBLLNIS-KRWDZBQOSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC001731565090 1204463892 /nfs/dbraw/zinc/46/38/92/1204463892.db2.gz ZMIMRZMILJIKDY-FTWQHDNSSA-N 0 3 312.457 3.049 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001731626336 1204488470 /nfs/dbraw/zinc/48/84/70/1204488470.db2.gz HXOVEFSZBUQSCH-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001731688016 1204505526 /nfs/dbraw/zinc/50/55/26/1204505526.db2.gz LQTINTMVJGTUBA-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC001731694437 1204508054 /nfs/dbraw/zinc/50/80/54/1204508054.db2.gz JIJHFSKUOVHCHY-LSDHHAIUSA-N 0 3 321.490 3.325 20 30 DGEDHN CN(C/C=C\c1ccccc1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001731717644 1204520368 /nfs/dbraw/zinc/52/03/68/1204520368.db2.gz WWWDPSJZYXMPON-FMSOUQGNSA-N 0 3 322.452 3.036 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001731812730 1204579299 /nfs/dbraw/zinc/57/92/99/1204579299.db2.gz KJNYETCRUDNAQX-HZPDHXFCSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2cc(F)ccc2s1 ZINC001731819713 1204583769 /nfs/dbraw/zinc/58/37/69/1204583769.db2.gz RSQIVCKMTZHIGU-UHFFFAOYSA-N 0 3 306.406 3.278 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C1CC1 ZINC001731878691 1204619649 /nfs/dbraw/zinc/61/96/49/1204619649.db2.gz UYNLGZSYULXJPN-IRXDYDNUSA-N 0 3 304.478 3.382 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C)c2ccccc2n1)C1CC1 ZINC001731877834 1204619727 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CC/C=C(/C)C(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001732066687 1204677576 /nfs/dbraw/zinc/67/75/76/1204677576.db2.gz KTMVWYIXYPXGNZ-FUJWGRRUSA-N 0 3 324.468 3.175 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001732132184 1204706282 /nfs/dbraw/zinc/70/62/82/1204706282.db2.gz VWLFZQZQIFGAMF-CVEARBPZSA-N 0 3 300.446 3.398 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001732132086 1204706939 /nfs/dbraw/zinc/70/69/39/1204706939.db2.gz FQKXSOWXEDSGTR-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CCF)CC1 ZINC001732144890 1204713794 /nfs/dbraw/zinc/71/37/94/1204713794.db2.gz VHEWJWWWUGNAKK-HOTGVXAUSA-N 0 3 310.457 3.382 20 30 DGEDHN C=CCC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001732151528 1204714305 /nfs/dbraw/zinc/71/43/05/1204714305.db2.gz LTRDZSAAXINTTD-FHWLQOOXSA-N 0 3 312.457 3.430 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001732163106 1204721628 /nfs/dbraw/zinc/72/16/28/1204721628.db2.gz 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C=CCC1(C(=O)NC[C@H](NCc2cncs2)C(C)C)CCC1 ZINC001732568566 1204900522 /nfs/dbraw/zinc/90/05/22/1204900522.db2.gz YNLDUNFQKQPJJP-HNNXBMFYSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(C)cc1Cl ZINC001732583864 1204909228 /nfs/dbraw/zinc/90/92/28/1204909228.db2.gz KFLGHKQMRDPUQI-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1nccs1 ZINC001732630237 1204925447 /nfs/dbraw/zinc/92/54/47/1204925447.db2.gz YUSFINNGOONBFT-UONOGXRCSA-N 0 3 321.490 3.120 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001732677041 1204928086 /nfs/dbraw/zinc/92/80/86/1204928086.db2.gz MRPCNMRWGMPJNL-UUSOHVMFSA-N 0 3 317.408 3.038 20 30 DGEDHN Cc1cc(CNC/C=C/CNC(=O)C#CC(C)(C)C)c(C)s1 ZINC001732851100 1204951576 /nfs/dbraw/zinc/95/15/76/1204951576.db2.gz ZVEJYZROHFCZSW-VOTSOKGWSA-N 0 3 318.486 3.176 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001732857271 1204952369 /nfs/dbraw/zinc/95/23/69/1204952369.db2.gz YOIPJJPZKXJKRS-ARJAWSKDSA-N 0 3 306.837 3.458 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001732977712 1204970510 /nfs/dbraw/zinc/97/05/10/1204970510.db2.gz VUYXZPBYVONBHG-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccc(C)cc2)cc1 ZINC001733048651 1205000459 /nfs/dbraw/zinc/00/04/59/1205000459.db2.gz MOJJMPKAYKVUQH-QGZVFWFLSA-N 0 3 320.436 3.227 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C1(c2ccccc2C)CCC1 ZINC001733061019 1205010957 /nfs/dbraw/zinc/01/09/57/1205010957.db2.gz FTJIBOOVFQVPKF-INIZCTEOSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cc(Cl)ccc1F)C1CC1 ZINC001733166113 1205032096 /nfs/dbraw/zinc/03/20/96/1205032096.db2.gz NBYNUNXAQFUUNF-MRXNPFEDSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1cnc(C)s1)C1CC1 ZINC001733170267 1205032537 /nfs/dbraw/zinc/03/25/37/1205032537.db2.gz FKEUVPQGFCMBRA-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001733179158 1205034865 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C=CCCN1CC[C@@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001733234876 1205062082 /nfs/dbraw/zinc/06/20/82/1205062082.db2.gz XFEGQTHSWYOTAC-IAGOWNOFSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001733234877 1205062453 /nfs/dbraw/zinc/06/24/53/1205062453.db2.gz XFEGQTHSWYOTAC-IRXDYDNUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001733238934 1205064970 /nfs/dbraw/zinc/06/49/70/1205064970.db2.gz WISIUCCTZRBXSU-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001733244499 1205067233 /nfs/dbraw/zinc/06/72/33/1205067233.db2.gz RGBFCZNTCAOYPQ-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001733246175 1205068134 /nfs/dbraw/zinc/06/81/34/1205068134.db2.gz VPVZAARDOWJRJI-UHFFFAOYSA-N 0 3 304.409 3.229 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001733253192 1205070087 /nfs/dbraw/zinc/07/00/87/1205070087.db2.gz SVSBCIMULGLCHQ-INIZCTEOSA-N 0 3 316.420 3.264 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001733256617 1205071291 /nfs/dbraw/zinc/07/12/91/1205071291.db2.gz GBGAHEXZYLCLGJ-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C1CCC(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)CC1 ZINC001733260501 1205072295 /nfs/dbraw/zinc/07/22/95/1205072295.db2.gz ZCMHVDLCCVMFOS-UHFFFAOYSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001733283407 1205082109 /nfs/dbraw/zinc/08/21/09/1205082109.db2.gz WIEFHLPYJRMYPJ-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)CC1 ZINC001733291754 1205084378 /nfs/dbraw/zinc/08/43/78/1205084378.db2.gz CXUFRCLCRGDNBH-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C(=O)CC1CCCC1)C1CCN(CC(=C)C)CC1 ZINC001733364965 1205107165 /nfs/dbraw/zinc/10/71/65/1205107165.db2.gz JANTZSCGEFSHTN-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)c1ccccc1C)C1CCN(CC(=C)C)CC1 ZINC001733365709 1205107201 /nfs/dbraw/zinc/10/72/01/1205107201.db2.gz SCKKJWWLZYMRSH-UHFFFAOYSA-N 0 3 310.441 3.111 20 30 DGEDHN C#CCN(C(=O)c1ccoc1C)C1CCN(CC=C(C)C)CC1 ZINC001733365585 1205107313 /nfs/dbraw/zinc/10/73/13/1205107313.db2.gz QEKRFDOURHORKT-UHFFFAOYSA-N 0 3 314.429 3.094 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1CC(C)C1)c1ccc2ccccc2c1 ZINC001733375474 1205108563 /nfs/dbraw/zinc/10/85/63/1205108563.db2.gz RJSAZXJVVXHBMS-OAAAQFAESA-N 0 3 320.436 3.266 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001733389976 1205114141 /nfs/dbraw/zinc/11/41/41/1205114141.db2.gz CIAALKVQAZRNOR-BHMZLHOFSA-N 0 3 310.869 3.410 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)cc1 ZINC001733398036 1205116348 /nfs/dbraw/zinc/11/63/48/1205116348.db2.gz NWQLEZGCXILGBN-BEFAXECRSA-N 0 3 313.445 3.050 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001733453817 1205137789 /nfs/dbraw/zinc/13/77/89/1205137789.db2.gz WKGOSRFKCUZCLO-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1[nH]ccc1C)c1ccccc1CC ZINC001733516515 1205151766 /nfs/dbraw/zinc/15/17/66/1205151766.db2.gz CDIFXDJBXFPMDI-QGZVFWFLSA-N 0 3 311.429 3.132 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cc(C)cc(C)c1 ZINC001733571436 1205165984 /nfs/dbraw/zinc/16/59/84/1205165984.db2.gz HHDQEBKIWJBDKS-UHFFFAOYSA-N 0 3 320.436 3.169 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001733668864 1205179553 /nfs/dbraw/zinc/17/95/53/1205179553.db2.gz XKBUNDSEJVBPNK-BFYDXBDKSA-N 0 3 310.869 3.147 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cccc(C)c1 ZINC001733678412 1205181881 /nfs/dbraw/zinc/18/18/81/1205181881.db2.gz MLTWEQGWAKWJFK-UHFFFAOYSA-N 0 3 320.436 3.380 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@H](CCCCC)C(C)C)C2)CC1 ZINC001733695880 1205188180 /nfs/dbraw/zinc/18/81/80/1205188180.db2.gz PTUUWAFXDHRJID-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCNC1(CNC(=O)C2(Cc3ccccc3)CCC2)CCC1 ZINC001733716295 1205192709 /nfs/dbraw/zinc/19/27/09/1205192709.db2.gz PJOTXROURHOBEK-UHFFFAOYSA-N 0 3 324.468 3.051 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](CC(C)C)c2ccccc2)CCC1 ZINC001733723955 1205194972 /nfs/dbraw/zinc/19/49/72/1205194972.db2.gz CPHNYPVSVZACPS-SFHVURJKSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001733766361 1205203896 /nfs/dbraw/zinc/20/38/96/1205203896.db2.gz FJYSEHLOXRSCKZ-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CCC ZINC001733808457 1205222999 /nfs/dbraw/zinc/22/29/99/1205222999.db2.gz HCJVYAXBWDKTEF-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)CCCOC)cc2C1 ZINC001733834602 1205227039 /nfs/dbraw/zinc/22/70/39/1205227039.db2.gz WFPHIGNQAGVORU-UHFFFAOYSA-N 0 3 316.445 3.011 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001733846693 1205229624 /nfs/dbraw/zinc/22/96/24/1205229624.db2.gz MQKZUQGPBYJFLY-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001733892417 1205241954 /nfs/dbraw/zinc/24/19/54/1205241954.db2.gz PJMLUYIKXMMBIH-YOEHRIQHSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H](C)CCCC)CC2)C1 ZINC001733910218 1205250835 /nfs/dbraw/zinc/25/08/35/1205250835.db2.gz VEXOXQKHQXBTPG-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001733908334 1205251354 /nfs/dbraw/zinc/25/13/54/1205251354.db2.gz UOEFWVCHZBYILN-HNAYVOBHSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(OC)c1 ZINC001733937104 1205265421 /nfs/dbraw/zinc/26/54/21/1205265421.db2.gz NGXVGMJDNYSLOW-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccccc1F ZINC001733996310 1205282845 /nfs/dbraw/zinc/28/28/45/1205282845.db2.gz OQTYQAZMVRYEFP-KBPBESRZSA-N 0 3 306.425 3.411 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCC(NCc2conc2C)CC1 ZINC001734011183 1205287525 /nfs/dbraw/zinc/28/75/25/1205287525.db2.gz IGCUFXPCGJKSRZ-UHFFFAOYSA-N 0 3 319.449 3.054 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1conc1C ZINC001734023425 1205291464 /nfs/dbraw/zinc/29/14/64/1205291464.db2.gz YCCTZLICDNOSAO-GOSISDBHSA-N 0 3 321.465 3.160 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001734039965 1205300807 /nfs/dbraw/zinc/30/08/07/1205300807.db2.gz VCZHGMMSMUEEKW-SDMNGIDPSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001734046725 1205302990 /nfs/dbraw/zinc/30/29/90/1205302990.db2.gz XYCCXXNDGOLCKB-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CCCc1cc(C)sc1C ZINC001734065309 1205314102 /nfs/dbraw/zinc/31/41/02/1205314102.db2.gz JSUNCZCAVUGRDV-CYBMUJFWSA-N 0 3 308.491 3.310 20 30 DGEDHN C=CCC[NH2+][C@@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001734076538 1205315119 /nfs/dbraw/zinc/31/51/19/1205315119.db2.gz FDFAZHBGYLTDMS-INIZCTEOSA-N 0 3 304.434 3.045 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001734102833 1205324472 /nfs/dbraw/zinc/32/44/72/1205324472.db2.gz CRQQZRRMJNYWIR-RDJZCZTQSA-N 0 3 318.486 3.236 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001734124261 1205330433 /nfs/dbraw/zinc/33/04/33/1205330433.db2.gz OCJGOFMUQMHIAA-HOTGVXAUSA-N 0 3 314.473 3.365 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)c(C)c1 ZINC001734141265 1205332681 /nfs/dbraw/zinc/33/26/81/1205332681.db2.gz DECFDACNTYZYAR-LJQANCHMSA-N 0 3 324.468 3.043 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](CCC)CC(C)C)C(C)(C)C1 ZINC001734152882 1205336851 /nfs/dbraw/zinc/33/68/51/1205336851.db2.gz GRBXURHCXKSTLL-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001734212495 1205344330 /nfs/dbraw/zinc/34/43/30/1205344330.db2.gz OXGPXNULXSVECM-UMVBOHGHSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2nc(C)cs2)C1 ZINC001734214110 1205344734 /nfs/dbraw/zinc/34/47/34/1205344734.db2.gz UNYWAEDMWXWDPG-KKUMJFAQSA-N 0 3 321.490 3.038 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)CC1CCC1 ZINC001734235769 1205347553 /nfs/dbraw/zinc/34/75/53/1205347553.db2.gz UISSMHNDZIEQHP-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001734251542 1205349898 /nfs/dbraw/zinc/34/98/98/1205349898.db2.gz RWAUMEVKWCRWMZ-KGLIPLIRSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](NC(=O)C(F)F)c1ccccc1 ZINC001734284855 1205356020 /nfs/dbraw/zinc/35/60/20/1205356020.db2.gz SVGDMYTYKLFVEB-CYBMUJFWSA-N 0 3 316.779 3.231 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001734343356 1205368289 /nfs/dbraw/zinc/36/82/89/1205368289.db2.gz FFJODAURJGKELY-SJKOYZFVSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2oc3ccccc3c2CC)C1 ZINC001734425562 1205375696 /nfs/dbraw/zinc/37/56/96/1205375696.db2.gz BWXTVIXKUXOFBN-LSDHHAIUSA-N 0 3 324.424 3.211 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)c3ccccc3C)CCC[C@H]12 ZINC001734437234 1205377390 /nfs/dbraw/zinc/37/73/90/1205377390.db2.gz BATHADAMDSWRMN-SLYNCCJLSA-N 0 3 324.468 3.235 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001734454068 1205380313 /nfs/dbraw/zinc/38/03/13/1205380313.db2.gz BWLWDWMXUAIXKZ-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCOC)[C@H]2C)CCCCC1 ZINC001734464229 1205382990 /nfs/dbraw/zinc/38/29/90/1205382990.db2.gz ZDNPKUGYOAUELC-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCOC)[C@@H]2C)CCCCC1 ZINC001734464230 1205383035 /nfs/dbraw/zinc/38/30/35/1205383035.db2.gz ZDNPKUGYOAUELC-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cn(C)c2ccccc12)C(C)C ZINC001734550384 1205391103 /nfs/dbraw/zinc/39/11/03/1205391103.db2.gz SAVBIJMWXCAPRA-UHFFFAOYSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CCN(Cc2ccsc2)CC1 ZINC001734585979 1205401241 /nfs/dbraw/zinc/40/12/41/1205401241.db2.gz SEYBQIYHFLVZQY-AWEZNQCLSA-N 0 3 306.475 3.431 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)CCC)CC[C@H]1C(F)(F)F ZINC001734588431 1205401815 /nfs/dbraw/zinc/40/18/15/1205401815.db2.gz BZKFPKLGPMYWAG-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)c(F)c1 ZINC001734639980 1205408869 /nfs/dbraw/zinc/40/88/69/1205408869.db2.gz CTUFUSYPBBAMKI-HZPDHXFCSA-N 0 3 318.436 3.400 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)c1ccc(CN2CCCC2)cn1 ZINC001165016588 721837048 /nfs/dbraw/zinc/83/70/48/721837048.db2.gz CNNGFSCCVKYXCC-UHFFFAOYSA-N 0 3 306.413 3.185 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666894141 1197296100 /nfs/dbraw/zinc/29/61/00/1197296100.db2.gz RKGGDRGFSIGREZ-ZIAGYGMSSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001667591698 1197365821 /nfs/dbraw/zinc/36/58/21/1197365821.db2.gz BJWXEOQNRVJCDC-KGLIPLIRSA-N 0 3 320.399 3.321 20 30 DGEDHN C#CCNCCN(CC)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001668464176 1197415368 /nfs/dbraw/zinc/41/53/68/1197415368.db2.gz GULFVQUUFWGWOL-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001669805689 1197485412 /nfs/dbraw/zinc/48/54/12/1197485412.db2.gz DTNXQPRWNCWHDY-GJZGRUSLSA-N 0 3 320.864 3.497 20 30 DGEDHN C=CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001573330482 947435351 /nfs/dbraw/zinc/43/53/51/947435351.db2.gz YLUYCYQBMVMSER-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001573330482 947435354 /nfs/dbraw/zinc/43/53/54/947435354.db2.gz YLUYCYQBMVMSER-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001573330482 947435358 /nfs/dbraw/zinc/43/53/58/947435358.db2.gz YLUYCYQBMVMSER-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001573330482 947435360 /nfs/dbraw/zinc/43/53/60/947435360.db2.gz YLUYCYQBMVMSER-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC(C)(C)c1ccccc1 ZINC001635757600 1194570182 /nfs/dbraw/zinc/57/01/82/1194570182.db2.gz DSCCYYDSVCMSIN-UHFFFAOYSA-N 0 3 302.462 3.321 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)c(Cl)c1 ZINC001281744709 1109402581 /nfs/dbraw/zinc/40/25/81/1109402581.db2.gz LTJIYWVJRFTDFP-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1ncc(C)s1 ZINC001169705502 1081634384 /nfs/dbraw/zinc/63/43/84/1081634384.db2.gz KTEYMMAVUYHKIQ-CYBMUJFWSA-N 0 3 309.479 3.182 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1ccn(C(C)C)n1 ZINC001169706060 1081635106 /nfs/dbraw/zinc/63/51/06/1081635106.db2.gz PSALFUFSLPCGTA-MRXNPFEDSA-N 0 3 320.481 3.195 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001167073297 1081638256 /nfs/dbraw/zinc/63/82/56/1081638256.db2.gz IOVXIIJHTKPJKF-BBRMVZONSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001266308920 1081654090 /nfs/dbraw/zinc/65/40/90/1081654090.db2.gz HXCABRUPRNCIBH-MRXNPFEDSA-N 0 3 304.409 3.073 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001266310946 1081656374 /nfs/dbraw/zinc/65/63/74/1081656374.db2.gz OJNZVIPKVCQRDX-OAHLLOKOSA-N 0 3 307.438 3.066 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001266318069 1081661895 /nfs/dbraw/zinc/66/18/95/1081661895.db2.gz YFYJIGSGCQLXIL-IBGZPJMESA-N 0 3 312.457 3.304 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001480870000 1081686095 /nfs/dbraw/zinc/68/60/95/1081686095.db2.gz XFAOHJVEIZFOSR-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001266360688 1081700391 /nfs/dbraw/zinc/70/03/91/1081700391.db2.gz BDFFBHMWTQLSDF-WOJBJXKFSA-N 0 3 320.436 3.347 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCC2CCCCCC2)CC1 ZINC001266373529 1081713318 /nfs/dbraw/zinc/71/33/18/1081713318.db2.gz FRJHLAAXKDIKHN-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@](C)(CC)CCC)CC1 ZINC001266379173 1081719229 /nfs/dbraw/zinc/71/92/29/1081719229.db2.gz BOBSADHCOQRQBW-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2nc(C)oc2C)CC1 ZINC001266390251 1081734536 /nfs/dbraw/zinc/73/45/36/1081734536.db2.gz QALHMECZLXOOOA-UHFFFAOYSA-N 0 3 319.449 3.184 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001108934839 1081739266 /nfs/dbraw/zinc/73/92/66/1081739266.db2.gz JBIHNSDFOABRSM-JHNDHUHGSA-N 0 3 314.429 3.082 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001108934839 1081739270 /nfs/dbraw/zinc/73/92/70/1081739270.db2.gz JBIHNSDFOABRSM-JHNDHUHGSA-N 0 3 314.429 3.082 20 30 DGEDHN C[C@H]1CCC[C@@H](CCN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001167137795 1081748858 /nfs/dbraw/zinc/74/88/58/1081748858.db2.gz GVVLREWCHHNXPX-IRXDYDNUSA-N 0 3 312.461 3.292 20 30 DGEDHN C=CCC[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)s1)C2 ZINC001109025641 1081753686 /nfs/dbraw/zinc/75/36/86/1081753686.db2.gz UYKHDFZPHZCNGZ-RZFFKMDDSA-N 0 3 319.474 3.141 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001266423958 1081783133 /nfs/dbraw/zinc/78/31/33/1081783133.db2.gz LBAGDHMYFIBPGL-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN 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C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001266495251 1081896565 /nfs/dbraw/zinc/89/65/65/1081896565.db2.gz JTQLHXTVCLYQJU-XJKSGUPXSA-N 0 3 306.837 3.210 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC/C=C\c1ccccc1)C2 ZINC001109712880 1081902515 /nfs/dbraw/zinc/90/25/15/1081902515.db2.gz JBAJSEOUIBJRGM-XKLQVCGUSA-N 0 3 322.452 3.225 20 30 DGEDHN CCCCCCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266500684 1081905404 /nfs/dbraw/zinc/90/54/04/1081905404.db2.gz VDHMSLOVSSQKIF-MRXNPFEDSA-N 0 3 318.461 3.414 20 30 DGEDHN CCCCCCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266500684 1081905409 /nfs/dbraw/zinc/90/54/09/1081905409.db2.gz VDHMSLOVSSQKIF-MRXNPFEDSA-N 0 3 318.461 3.414 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cccs1)C2 ZINC001109773281 1081912278 /nfs/dbraw/zinc/91/22/78/1081912278.db2.gz NEMRDDSQRKTDHR-JHNDHUHGSA-N 0 3 318.486 3.224 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oncc1C)C2 ZINC001109922747 1081934076 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C=C(Cl)CNCCCNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001167359501 1082024777 /nfs/dbraw/zinc/02/47/77/1082024777.db2.gz FFWBNPHJHQPLPW-UHFFFAOYSA-N 0 3 322.880 3.375 20 30 DGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC001167359115 1082025350 /nfs/dbraw/zinc/02/53/50/1082025350.db2.gz AVUYTMNHYUCVRB-LRDDRELGSA-N 0 3 315.442 3.358 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001279111177 1082027021 /nfs/dbraw/zinc/02/70/21/1082027021.db2.gz IWBAMACYCAUCHZ-DUMMIQTOSA-N 0 3 324.468 3.248 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(CCC)CC2)C12CCC2 ZINC001203396425 1082044154 /nfs/dbraw/zinc/04/41/54/1082044154.db2.gz UNQGSQRJLCXYTF-KGLIPLIRSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1ccc(F)c(Cl)c1)C1CC1 ZINC001266611726 1082068124 /nfs/dbraw/zinc/06/81/24/1082068124.db2.gz VLAXUNWUAUXMMG-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1CCC=CCC1 ZINC001266638029 1082103426 /nfs/dbraw/zinc/10/34/26/1082103426.db2.gz DUOUKUDSZTUHNB-MXVIHJGJSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C)C1 ZINC001086575174 1082107558 /nfs/dbraw/zinc/10/75/58/1082107558.db2.gz DLMYZHVWONIBRG-ZWKOTPCHSA-N 0 3 324.424 3.362 20 30 DGEDHN CC#CCCCC(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC001113225981 1082141791 /nfs/dbraw/zinc/14/17/91/1082141791.db2.gz FJORMDMJRKCARI-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001113290014 1082171484 /nfs/dbraw/zinc/17/14/84/1082171484.db2.gz RJYXHLHDXHKEOV-QWHCGFSZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC001113367526 1082184732 /nfs/dbraw/zinc/18/47/32/1082184732.db2.gz VHHXKYKPQOPRTQ-OAHLLOKOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC001266758571 1082195646 /nfs/dbraw/zinc/19/56/46/1082195646.db2.gz VXTSYLNWYCVMRS-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001480889490 1082197391 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C=C(C)CCC(=O)N1CCCC[C@H]1CNCc1scnc1C ZINC001266868274 1082288382 /nfs/dbraw/zinc/28/83/82/1082288382.db2.gz DSLNJDGJUTWTJC-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)CC1 ZINC001086607582 1082296353 /nfs/dbraw/zinc/29/63/53/1082296353.db2.gz IWUGDILQJWFWKD-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CCCC)CC1 ZINC001266893481 1082311394 /nfs/dbraw/zinc/31/13/94/1082311394.db2.gz VUYDQHJWVAYADB-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCC2CCCCC2)C1 ZINC001266898142 1082317341 /nfs/dbraw/zinc/31/73/41/1082317341.db2.gz SPYJBBULZMBVKK-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001170311202 1082343862 /nfs/dbraw/zinc/34/38/62/1082343862.db2.gz HRMNMOPVEAKJBC-CQSZACIVSA-N 0 3 324.852 3.326 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001266980282 1082398294 /nfs/dbraw/zinc/39/82/94/1082398294.db2.gz 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C#CCCCC(=O)NCCN(CC)Cc1cc2ccccc2o1 ZINC001267240713 1082688358 /nfs/dbraw/zinc/68/83/58/1082688358.db2.gz VTPRLARUCIBSFE-UHFFFAOYSA-N 0 3 312.413 3.174 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC[C@@H](C)c1ccccc1 ZINC001167665097 1082688962 /nfs/dbraw/zinc/68/89/62/1082688962.db2.gz XYKZOYKGCRJQKS-CQSZACIVSA-N 0 3 308.853 3.419 20 30 DGEDHN CCN(CCNC(=O)CC(C)(C)CC)Cc1cccc(C#N)c1 ZINC001267241751 1082690018 /nfs/dbraw/zinc/69/00/18/1082690018.db2.gz JRUAIOXRYRBMML-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCC(C)C)C[C@H](C)O2 ZINC001131688241 1082703602 /nfs/dbraw/zinc/70/36/02/1082703602.db2.gz JDXCWDVQOHZJME-HKUYNNGSSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCCCC)C[C@@H](C)O2 ZINC001131697147 1082707660 /nfs/dbraw/zinc/70/76/60/1082707660.db2.gz HEKXUEKYIQPOJJ-MJGOQNOKSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001131862627 1082747124 /nfs/dbraw/zinc/74/71/24/1082747124.db2.gz WHZZCENFXRBARJ-JSGCOSHPSA-N 0 3 307.463 3.000 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(CC)c(CC)c1 ZINC001267321150 1082791272 /nfs/dbraw/zinc/79/12/72/1082791272.db2.gz KVSZYZXZNLLKKZ-UHFFFAOYSA-N 0 3 314.473 3.277 20 30 DGEDHN Cc1cc(C)cc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)c1 ZINC001132034864 1082798215 /nfs/dbraw/zinc/79/82/15/1082798215.db2.gz VVPZEKMKIYNYSC-XLIONFOSSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132061760 1082804464 /nfs/dbraw/zinc/80/44/64/1082804464.db2.gz YLDNVNLCMPFJOT-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001132068795 1082808012 /nfs/dbraw/zinc/80/80/12/1082808012.db2.gz JSCPRSWGVGSAIC-CABCVRRESA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2scnc2CC)CC[C@H]1C ZINC001132081801 1082810514 /nfs/dbraw/zinc/81/05/14/1082810514.db2.gz CPRUYCQJGXFAQQ-KGLIPLIRSA-N 0 3 321.490 3.254 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2scnc2CC)CC[C@@H]1C ZINC001132081803 1082811111 /nfs/dbraw/zinc/81/11/11/1082811111.db2.gz CPRUYCQJGXFAQQ-UONOGXRCSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)CC(F)F)CC[C@H]1C ZINC001132097303 1082816668 /nfs/dbraw/zinc/81/66/68/1082816668.db2.gz HXUUGBGRSCWWPP-OLZOCXBDSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2cccc(F)c2)CC[C@H]1C ZINC001132113874 1082822519 /nfs/dbraw/zinc/82/25/19/1082822519.db2.gz FPJMKICGKQUOCD-KIAIAAEYSA-N 0 3 316.420 3.384 20 30 DGEDHN C=CCCC(=O)N(C)CCN[C@@H](CC)c1ccc(F)cc1F ZINC001267353759 1082828290 /nfs/dbraw/zinc/82/82/90/1082828290.db2.gz UYHQWMULRQMHFM-INIZCTEOSA-N 0 3 310.388 3.430 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001267362063 1082833500 /nfs/dbraw/zinc/83/35/00/1082833500.db2.gz NWDKPARRUKLRND-GDBMZVCRSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)cc2C)CC[C@H]1C ZINC001132207355 1082839617 /nfs/dbraw/zinc/83/96/17/1082839617.db2.gz TXAAIACVYYGPDM-IEBWSBKVSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cccc(C)c2)CC[C@@H]1C ZINC001132205943 1082843707 /nfs/dbraw/zinc/84/37/07/1082843707.db2.gz BBQJKYFQQWPWMR-FUHWJXTLSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132221153 1082845693 /nfs/dbraw/zinc/84/56/93/1082845693.db2.gz CLOZDICBSKKFKQ-DLBZAZTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001267377860 1082848022 /nfs/dbraw/zinc/84/80/22/1082848022.db2.gz UCWLTWAAMVAMFE-IPMKNSEASA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)C(C)(F)F)c1ccccc1 ZINC001267382310 1082855159 /nfs/dbraw/zinc/85/51/59/1082855159.db2.gz OLRAOTMHFYVNFO-AWEZNQCLSA-N 0 3 310.388 3.301 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132323035 1082885374 /nfs/dbraw/zinc/88/53/74/1082885374.db2.gz XDQZMMVQUHOJFA-QWHCGFSZSA-N 0 3 306.372 3.264 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2ccc(Cl)s2)CC1 ZINC001161411226 1082899328 /nfs/dbraw/zinc/89/93/28/1082899328.db2.gz PEKBOPKGJRNIKH-UHFFFAOYSA-N 0 3 324.877 3.268 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCCCC3)C(C)(C)[C@@H]21 ZINC001087267677 1082910941 /nfs/dbraw/zinc/91/09/41/1082910941.db2.gz FPCZALZFSOFNAG-KZNAEPCWSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001267475852 1082929808 /nfs/dbraw/zinc/92/98/08/1082929808.db2.gz QOUJTTZRNRGHDT-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cccc(F)c2F)CC[C@H]1C ZINC001132545712 1082939058 /nfs/dbraw/zinc/93/90/58/1082939058.db2.gz FGEFHCMTIGJNNX-HIFRSBDPSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC=C)CCCC2)CC[C@@H]1C ZINC001132546537 1082939432 /nfs/dbraw/zinc/93/94/32/1082939432.db2.gz NRJPSWPIHKRMOH-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](OC)C2CCCC2)C1 ZINC001267489148 1082945508 /nfs/dbraw/zinc/94/55/08/1082945508.db2.gz VKKVDSAWHHUSMD-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132569014 1082948262 /nfs/dbraw/zinc/94/82/62/1082948262.db2.gz JKNBPSIGNLRSHX-NWDGAFQWSA-N 0 3 312.816 3.143 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001132569112 1082948802 /nfs/dbraw/zinc/94/88/02/1082948802.db2.gz KSMCNLNJCUNOKR-ZIAGYGMSSA-N 0 3 300.402 3.097 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132573528 1082950234 /nfs/dbraw/zinc/95/02/34/1082950234.db2.gz OXEJUQHVBRXSGJ-CHWSQXEVSA-N 0 3 324.852 3.013 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)F)c1ccc(C(C)C)cc1 ZINC001267512695 1082971177 /nfs/dbraw/zinc/97/11/77/1082971177.db2.gz RQROLUMVDWZVSW-KRWDZBQOSA-N 0 3 318.436 3.328 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccoc1Cl)c1ccccc1 ZINC001267518684 1082978264 /nfs/dbraw/zinc/97/82/64/1082978264.db2.gz ADVQPVQTTKUXMM-HNNXBMFYSA-N 0 3 316.788 3.017 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001267520075 1082979267 /nfs/dbraw/zinc/97/92/67/1082979267.db2.gz IXIBRYXHZKXYEY-GJZGRUSLSA-N 0 3 308.372 3.055 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc(CC)ccn1)c1ccccc1 ZINC001267521336 1082981729 /nfs/dbraw/zinc/98/17/29/1082981729.db2.gz SIZOFHWSDQBKTL-IBGZPJMESA-N 0 3 323.440 3.281 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccoc1CCC)c1ccccc1 ZINC001267525813 1082988548 /nfs/dbraw/zinc/98/85/48/1082988548.db2.gz PBBGUIZWWSTNQF-SFHVURJKSA-N 0 3 324.424 3.316 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001283632978 1082994295 /nfs/dbraw/zinc/99/42/95/1082994295.db2.gz UPXIKDPTJDYOKT-INIZCTEOSA-N 0 3 314.473 3.448 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001267541866 1083009034 /nfs/dbraw/zinc/00/90/34/1083009034.db2.gz KBRYFPCTPHNYLG-GOSISDBHSA-N 0 3 315.461 3.201 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C(C)(C)C)C1)C2 ZINC001098480512 1083011510 /nfs/dbraw/zinc/01/15/10/1083011510.db2.gz KHXDTEZTERKDPN-YWWDTZIBSA-N 0 3 304.478 3.356 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001267548777 1083019317 /nfs/dbraw/zinc/01/93/17/1083019317.db2.gz MQKBTWCCHUYZLH-HXUWFJFHSA-N 0 3 324.468 3.125 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCCCNC/C(Cl)=C/Cl ZINC001170647276 1083041718 /nfs/dbraw/zinc/04/17/18/1083041718.db2.gz FBJXTWGIRNDCMD-ODUNQGDFSA-N 0 3 319.276 3.229 20 30 DGEDHN C=C[C@H](C(=O)NCCN(CC)CC=C(C)C)c1ccccc1 ZINC001481017924 1083085435 /nfs/dbraw/zinc/08/54/35/1083085435.db2.gz BOVCUDXYOFIYBL-SFHVURJKSA-N 0 3 300.446 3.361 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(C#N)c1Cl ZINC001170680981 1083104288 /nfs/dbraw/zinc/10/42/88/1083104288.db2.gz KPQLCBBLAATBKS-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1CC[C@H]1CC1(Cl)Cl ZINC001481031278 1083105816 /nfs/dbraw/zinc/10/58/16/1083105816.db2.gz VPJMCGMCDKLNNJ-STQMWFEESA-N 0 3 319.276 3.117 20 30 DGEDHN C=C1CCC(C(=O)NCCN[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001133365526 1083106493 /nfs/dbraw/zinc/10/64/93/1083106493.db2.gz VPNUJABURYYQBM-CYBMUJFWSA-N 0 3 322.399 3.478 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001133378617 1083109124 /nfs/dbraw/zinc/10/91/24/1083109124.db2.gz ISRNPMNWPFMZTC-MRXNPFEDSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001133380670 1083110956 /nfs/dbraw/zinc/11/09/56/1083110956.db2.gz LUFZIRPBBDINHQ-QGZVFWFLSA-N 0 3 324.852 3.157 20 30 DGEDHN N#Cc1cc2ccc(-n3nc(CN)c4ccccc43)cc2cc1C#N ZINC001167699842 1083110937 /nfs/dbraw/zinc/11/09/37/1083110937.db2.gz CGYAWJUBLZNLTG-UHFFFAOYSA-N 0 3 323.359 3.381 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)C1(C)CC1 ZINC001133398303 1083112796 /nfs/dbraw/zinc/11/27/96/1083112796.db2.gz OZEMVFUBDNHHCX-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN CCN1CCC[C@H](N(Cc2ccccc2)C(=O)C#CC(C)C)C1 ZINC001267596490 1083128548 /nfs/dbraw/zinc/12/85/48/1083128548.db2.gz ONUVIFLOACZPDU-IBGZPJMESA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001481059871 1083141477 /nfs/dbraw/zinc/14/14/77/1083141477.db2.gz FOXNHLCMHAENGG-OALUTQOASA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(O)ccc1Cl ZINC001133883729 1083205582 /nfs/dbraw/zinc/20/55/82/1083205582.db2.gz FEYGEEQHEQVBIA-QWHCGFSZSA-N 0 3 324.852 3.385 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1oc(CCC)nc1C ZINC001133888287 1083207492 /nfs/dbraw/zinc/20/74/92/1083207492.db2.gz HWYDQAZDFQWHCJ-UONOGXRCSA-N 0 3 321.465 3.275 20 30 DGEDHN CCCN(CCNC(=O)C1(CC)CC1)Cc1cccc(C#N)c1 ZINC001481146214 1083211788 /nfs/dbraw/zinc/21/17/88/1083211788.db2.gz VZAOJCPOZFTJEM-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001481155322 1083215518 /nfs/dbraw/zinc/21/55/18/1083215518.db2.gz VHAIKZFPMFXVSF-LJQANCHMSA-N 0 3 304.478 3.365 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001267618225 1083217470 /nfs/dbraw/zinc/21/74/70/1083217470.db2.gz YUDJMNSCLKKGPU-QUCCMNQESA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001267620134 1083221038 /nfs/dbraw/zinc/22/10/38/1083221038.db2.gz VOFGASBHSKHBSL-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134113287 1083242627 /nfs/dbraw/zinc/24/26/27/1083242627.db2.gz BLGSQMTVNXNCMN-KBPBESRZSA-N 0 3 321.490 3.018 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134119120 1083245038 /nfs/dbraw/zinc/24/50/38/1083245038.db2.gz LURRPVHVGKUQQF-UONOGXRCSA-N 0 3 321.490 3.018 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001267683148 1083261790 /nfs/dbraw/zinc/26/17/90/1083261790.db2.gz IHDCAIXACUKXNA-INIZCTEOSA-N 0 3 300.446 3.460 20 30 DGEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)cc1)CC(C)(C)C ZINC001134258426 1083264722 /nfs/dbraw/zinc/26/47/22/1083264722.db2.gz HUKVKYUWYUSVFB-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)/C=C(/C)CC ZINC001134285481 1083267742 /nfs/dbraw/zinc/26/77/42/1083267742.db2.gz SNNYOQUSFPBMAF-ZBKFBRRISA-N 0 3 317.271 3.124 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1 ZINC001267708323 1083275503 /nfs/dbraw/zinc/27/55/03/1083275503.db2.gz HSVYPEPCKNGIAA-OALUTQOASA-N 0 3 314.473 3.485 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134417939 1083286818 /nfs/dbraw/zinc/28/68/18/1083286818.db2.gz CAWRZXOCVMRQIH-ZIAGYGMSSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)sc1C ZINC001134470178 1083294238 /nfs/dbraw/zinc/29/42/38/1083294238.db2.gz OCULMPIWVKLVTG-OLZOCXBDSA-N 0 3 323.506 3.489 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001125871148 1083312714 /nfs/dbraw/zinc/31/27/14/1083312714.db2.gz XZPHRMLRZDBEAX-GOSISDBHSA-N 0 3 315.461 3.275 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCc2cc(C)sc2C)C1 ZINC001267778731 1083340963 /nfs/dbraw/zinc/34/09/63/1083340963.db2.gz GMLULOJPVMOLCR-QGZVFWFLSA-N 0 3 320.502 3.406 20 30 DGEDHN C=C(Br)CNCC1(NC(=O)CCCC)CCCC1 ZINC001267833367 1083410146 /nfs/dbraw/zinc/41/01/46/1083410146.db2.gz YCDNNBKGIIQSFW-UHFFFAOYSA-N 0 3 317.271 3.104 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1sccc1F)C1CC1 ZINC001267854695 1083452023 /nfs/dbraw/zinc/45/20/23/1083452023.db2.gz RRZAZRJRFRZPKT-AWEZNQCLSA-N 0 3 316.829 3.128 20 30 DGEDHN N#CC1(CC(=O)NCCc2cnc3cc[nH]cc2-3)CCCCC1 ZINC001181382193 1083458621 /nfs/dbraw/zinc/45/86/21/1083458621.db2.gz ZZUXWGHHKZYXAO-UHFFFAOYSA-N 0 3 310.401 3.086 20 30 DGEDHN N#CC1(CC(=O)NCCc2c[nH]c3ccncc23)CCCCC1 ZINC001181382193 1083458625 /nfs/dbraw/zinc/45/86/25/1083458625.db2.gz ZZUXWGHHKZYXAO-UHFFFAOYSA-N 0 3 310.401 3.086 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001181516720 1083493138 /nfs/dbraw/zinc/49/31/38/1083493138.db2.gz DGDQQFDTKRSORE-DYVFJYSZSA-N 0 3 320.383 3.109 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2occc2C)C1 ZINC001267875518 1083505260 /nfs/dbraw/zinc/50/52/60/1083505260.db2.gz FGLWXISWYBVBKJ-AWEZNQCLSA-N 0 3 310.825 3.172 20 30 DGEDHN C=CCCC[NH2+]CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001267904233 1083543281 /nfs/dbraw/zinc/54/32/81/1083543281.db2.gz PLRYUFWMDKTOAZ-UHFFFAOYSA-N 0 3 316.445 3.190 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H](C)CC(C)C)cc1 ZINC001267938925 1083605194 /nfs/dbraw/zinc/60/51/94/1083605194.db2.gz CRUOTUDPEAVYAR-QGZVFWFLSA-N 0 3 314.473 3.488 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)c2ccccc2C)cc1 ZINC001267940420 1083607329 /nfs/dbraw/zinc/60/73/29/1083607329.db2.gz LFGWWWZQHATFHZ-KRWDZBQOSA-N 0 3 320.436 3.138 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001267964298 1083659285 /nfs/dbraw/zinc/65/92/85/1083659285.db2.gz NQSNSHLJWLQMRQ-QGZVFWFLSA-N 0 3 322.399 3.402 20 30 DGEDHN Cc1cccc(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)c1 ZINC001267976118 1083684824 /nfs/dbraw/zinc/68/48/24/1083684824.db2.gz LOIKNLIPPSOJEL-INIZCTEOSA-N 0 3 321.424 3.022 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNCc1ccncc1Cl ZINC001268002255 1083724364 /nfs/dbraw/zinc/72/43/64/1083724364.db2.gz SPLPUXBGLFBMGA-DYVFJYSZSA-N 0 3 323.868 3.179 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1c1ccccc1 ZINC001211664142 1083766204 /nfs/dbraw/zinc/76/62/04/1083766204.db2.gz QLYYBNFXXAXJTL-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CCCc1ccc(Cl)cc1 ZINC001273476865 1083780417 /nfs/dbraw/zinc/78/04/17/1083780417.db2.gz WGYGGTPYVSLYOW-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c(C)nsc1C)c1ccccc1 ZINC001481374536 1083835786 /nfs/dbraw/zinc/83/57/86/1083835786.db2.gz RXDDCSQIKHNMPP-HNNXBMFYSA-N 0 3 315.442 3.007 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001087424566 1083961872 /nfs/dbraw/zinc/96/18/72/1083961872.db2.gz FZSAIDHRQBDRNO-PWIZWCRZSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)n2cccc2)CC1 ZINC001167793901 1083976601 /nfs/dbraw/zinc/97/66/01/1083976601.db2.gz HUMYDDUOFKZLAI-HNNXBMFYSA-N 0 3 323.868 3.068 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)/C(C)=C/C)C1 ZINC001481508283 1084034079 /nfs/dbraw/zinc/03/40/79/1084034079.db2.gz HWHLLIBGXJNSHI-OVYCDTAVSA-N 0 3 324.468 3.469 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)CC2CC2)C1 ZINC001481509945 1084038272 /nfs/dbraw/zinc/03/82/72/1084038272.db2.gz STTJWEIVQQQABM-HXUWFJFHSA-N 0 3 324.468 3.303 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ncccc2F)C1 ZINC001481529423 1084086434 /nfs/dbraw/zinc/08/64/34/1084086434.db2.gz RBZMXZYNXMQGTQ-OAHLLOKOSA-N 0 3 319.424 3.161 20 30 DGEDHN CCCC#CC(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001184270697 1084131947 /nfs/dbraw/zinc/13/19/47/1084131947.db2.gz ZCGKXHOIFWSBSW-UHFFFAOYSA-N 0 3 316.420 3.052 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCCOc2ccccc2)C1 ZINC001268169079 1084274939 /nfs/dbraw/zinc/27/49/39/1084274939.db2.gz DHXCRPPUNRDWIF-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001185056949 1084323794 /nfs/dbraw/zinc/32/37/94/1084323794.db2.gz WNKBLOBNBHRPPW-DOTOQJQBSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1cc(C)ns1)C(C)C ZINC001268213438 1084337270 /nfs/dbraw/zinc/33/72/70/1084337270.db2.gz NFRNQYSHPRXZCS-OAHLLOKOSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001185071169 1084343809 /nfs/dbraw/zinc/34/38/09/1084343809.db2.gz QSVZNZSSEJCQEB-LSDHHAIUSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001185071000 1084344096 /nfs/dbraw/zinc/34/40/96/1084344096.db2.gz MPVXADOPATYUTN-DOTOQJQBSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cccc(C)c1Cl ZINC001268241755 1084390970 /nfs/dbraw/zinc/39/09/70/1084390970.db2.gz DVPYNCDWWPGXKL-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001185296481 1084408354 /nfs/dbraw/zinc/40/83/54/1084408354.db2.gz PLIWCVCBZBWXEA-MRXNPFEDSA-N 0 3 308.372 3.012 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001185650778 1084495630 /nfs/dbraw/zinc/49/56/30/1084495630.db2.gz MVWODBAARSUTIX-PKOBYXMFSA-N 0 3 312.457 3.093 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CCC2CCCCCC2)C1 ZINC001481735035 1084549790 /nfs/dbraw/zinc/54/97/90/1084549790.db2.gz IFSUENMEMOZULP-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001185968235 1084561243 /nfs/dbraw/zinc/56/12/43/1084561243.db2.gz HVCMEEMBCMYGRG-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001268423503 1084588991 /nfs/dbraw/zinc/58/89/91/1084588991.db2.gz HNUNSZWDNZAFEJ-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)=C1CCC1)NCC#Cc1ccccc1 ZINC001481808720 1084645528 /nfs/dbraw/zinc/64/55/28/1084645528.db2.gz DXLVPVGEDWDVFB-IBGZPJMESA-N 0 3 310.441 3.023 20 30 DGEDHN C=C1CCC(C(=O)N(CC)CCNCc2ccsc2)CC1 ZINC001268476865 1084688081 /nfs/dbraw/zinc/68/80/81/1084688081.db2.gz LAYLMKUNOHICNT-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1ccc(C)nc1C ZINC001268476283 1084690163 /nfs/dbraw/zinc/69/01/63/1084690163.db2.gz HCCYQTTXXLTTKY-LJQANCHMSA-N 0 3 317.477 3.239 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2C)cc1 ZINC001482035980 1084788783 /nfs/dbraw/zinc/78/87/83/1084788783.db2.gz RVSGFKVBGHOWRT-APWZRJJASA-N 0 3 312.457 3.242 20 30 DGEDHN C=CCCCC(=O)NCCC1CCN(Cc2ocnc2C)CC1 ZINC001482047506 1084798450 /nfs/dbraw/zinc/79/84/50/1084798450.db2.gz VMQVTZVFSUQIOI-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CN[C@H]1CCc2ccc(F)cc21 ZINC001268545873 1084799055 /nfs/dbraw/zinc/79/90/55/1084799055.db2.gz VVPLKVWOSAGVIE-JXCVUKRWSA-N 0 3 316.420 3.431 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001268574339 1084831064 /nfs/dbraw/zinc/83/10/64/1084831064.db2.gz SUVRDBXEFAZVCU-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](C)CNCc1ccccc1C#N)CC ZINC001482089555 1084832359 /nfs/dbraw/zinc/83/23/59/1084832359.db2.gz DJWRPTNSIDEZEX-HNNXBMFYSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2c(C)nsc2C)CCC1 ZINC001268661050 1084924879 /nfs/dbraw/zinc/92/48/79/1084924879.db2.gz HAYCCZLZWYZWEZ-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001268767363 1085044269 /nfs/dbraw/zinc/04/42/69/1085044269.db2.gz PDSTUHKRBLYPRX-RDJZCZTQSA-N 0 3 316.445 3.237 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001268960422 1085089665 /nfs/dbraw/zinc/08/96/65/1085089665.db2.gz PQDGOFRSEXQJCM-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](CN[C@H](C)c1ccccc1F)C1CC1 ZINC001269067084 1085111649 /nfs/dbraw/zinc/11/16/49/1085111649.db2.gz RKXAMPOGFHFTHG-KDOFPFPSSA-N 0 3 316.420 3.031 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(C)no2)[C@H](CC)C1 ZINC001269169902 1085177307 /nfs/dbraw/zinc/17/73/07/1085177307.db2.gz SRXVJNRLJKELMF-NVXWUHKLSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(C)no2)[C@@H](CC)C1 ZINC001269169901 1085177870 /nfs/dbraw/zinc/17/78/70/1085177870.db2.gz SRXVJNRLJKELMF-DOTOQJQBSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001269273836 1085257212 /nfs/dbraw/zinc/25/72/12/1085257212.db2.gz CNDBLJBOSAYMID-IAGOWNOFSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001269310592 1085294938 /nfs/dbraw/zinc/29/49/38/1085294938.db2.gz NJVAYTUXIVMLHL-WMLDXEAASA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001269332078 1085308474 /nfs/dbraw/zinc/30/84/74/1085308474.db2.gz NKKCQIYOLIJAJB-IBGZPJMESA-N 0 3 310.441 3.416 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001269345797 1085318576 /nfs/dbraw/zinc/31/85/76/1085318576.db2.gz VBASEVYQSJXNNL-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1F ZINC001269378736 1085351260 /nfs/dbraw/zinc/35/12/60/1085351260.db2.gz UYUNCKWMLYXQKP-GXTWGEPZSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@H]2CCc3c2cccc3F)CC1 ZINC001269383527 1085354432 /nfs/dbraw/zinc/35/44/32/1085354432.db2.gz KAFSTWOTYJZXSO-INIZCTEOSA-N 0 3 302.393 3.018 20 30 DGEDHN CC[C@H](CNC(=O)C[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001269449343 1085392173 /nfs/dbraw/zinc/39/21/73/1085392173.db2.gz YJEQDQJFSZGFHP-WOJBJXKFSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(F)cc(Cl)c1)C(C)C ZINC001284543369 1085462552 /nfs/dbraw/zinc/46/25/52/1085462552.db2.gz CCVWOXIPNFORNO-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC(F)(F)F ZINC001269593170 1085482215 /nfs/dbraw/zinc/48/22/15/1085482215.db2.gz PITFZUUPSSDSKJ-MCIONIFRSA-N 0 3 318.383 3.216 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1CC1 ZINC001269634371 1085506133 /nfs/dbraw/zinc/50/61/33/1085506133.db2.gz NVXBNGKLBYJSMP-UNEWFSDZSA-N 0 3 312.885 3.296 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](C)C(CC)CC)C2)CC1 ZINC001269708421 1085538300 /nfs/dbraw/zinc/53/83/00/1085538300.db2.gz BUAUYHAQPJENQA-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](CCCC)C(C)C)C2)C1 ZINC001269745686 1085550922 /nfs/dbraw/zinc/55/09/22/1085550922.db2.gz RHTHDDKNLVVERK-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CCCC)C(C)C)C2)C1 ZINC001269745688 1085551132 /nfs/dbraw/zinc/55/11/32/1085551132.db2.gz RHTHDDKNLVVERK-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN CCN1CCC[C@H](Oc2cc(Br)ccc2C#N)C1 ZINC001225786630 1085626025 /nfs/dbraw/zinc/62/60/25/1085626025.db2.gz QRNFPYWVOHFNMO-ZDUSSCGKSA-N 0 3 309.207 3.184 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CCNCc2nc(C)cs2)C1 ZINC001280174442 1085716563 /nfs/dbraw/zinc/71/65/63/1085716563.db2.gz XRUZKBNLZRPNKP-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)OC2CCCCCC2)CC1 ZINC001270249879 1085748833 /nfs/dbraw/zinc/74/88/33/1085748833.db2.gz YUDSPBGSWJHRIY-INIZCTEOSA-N 0 3 322.493 3.271 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001270249847 1085748880 /nfs/dbraw/zinc/74/88/80/1085748880.db2.gz YFHTWXAAHUKZIY-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1Cl)N(C)C(=O)C(C)(C)C ZINC001482357167 1086072185 /nfs/dbraw/zinc/07/21/85/1086072185.db2.gz XADDEANMXMNQJX-AWEZNQCLSA-N 0 3 320.864 3.174 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCCC)CC1 ZINC001105387285 1086089217 /nfs/dbraw/zinc/08/92/17/1086089217.db2.gz RTWGIWJCBLIMPL-IBGZPJMESA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)cc(F)c1)C2 ZINC001143585446 1086092692 /nfs/dbraw/zinc/09/26/92/1086092692.db2.gz ADZWKIQRYMMEQE-RBUKOAKNSA-N 0 3 319.420 3.460 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001105391984 1086162749 /nfs/dbraw/zinc/16/27/49/1086162749.db2.gz QFAWFTLYSDDIIN-LPHOPBHVSA-N 0 3 316.489 3.149 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001270947928 1086210273 /nfs/dbraw/zinc/21/02/73/1086210273.db2.gz MXPVUOXNBXORKL-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@]1(C)C=CCC1 ZINC001280334173 1086216623 /nfs/dbraw/zinc/21/66/23/1086216623.db2.gz TTYFASPKUJPLMJ-FQEVSTJZSA-N 0 3 310.441 3.114 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2csc(C)c2C)C1 ZINC001270965944 1086222375 /nfs/dbraw/zinc/22/23/75/1086222375.db2.gz SFWOFNUHFUDDLF-GOSISDBHSA-N 0 3 318.486 3.220 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001270978108 1086229149 /nfs/dbraw/zinc/22/91/49/1086229149.db2.gz YCTRLZSGHLWJGP-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001168012642 1086246009 /nfs/dbraw/zinc/24/60/09/1086246009.db2.gz AQSZVDMMNBTCSU-WBVHZDCISA-N 0 3 306.837 3.029 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001271007820 1086246925 /nfs/dbraw/zinc/24/69/25/1086246925.db2.gz RYHIUBANNASFJX-QGZVFWFLSA-N 0 3 306.475 3.383 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001271017459 1086254086 /nfs/dbraw/zinc/25/40/86/1086254086.db2.gz QEWWMVHOHZFAFF-FXAWDEMLSA-N 0 3 314.473 3.270 20 30 DGEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)CCCCCC)C1 ZINC001271102321 1086292213 /nfs/dbraw/zinc/29/22/13/1086292213.db2.gz ZDWCJICBKVXQRR-HNNXBMFYSA-N 0 3 314.420 3.054 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2C)[C@H]1CC ZINC001087581199 1086314694 /nfs/dbraw/zinc/31/46/94/1086314694.db2.gz VOBXCRIOJGMFMD-JKSUJKDBSA-N 0 3 306.837 3.417 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)[C@H]1CC ZINC001087590158 1086318698 /nfs/dbraw/zinc/31/86/98/1086318698.db2.gz SYBMFFQHOLPUBF-HRCADAONSA-N 0 3 318.465 3.013 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)[C@H]1CC ZINC001087598413 1086324402 /nfs/dbraw/zinc/32/44/02/1086324402.db2.gz HSPVEGKIXPLJRW-JKSUJKDBSA-N 0 3 316.445 3.317 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(OC)c2C)[C@H]1CC ZINC001087642144 1086336006 /nfs/dbraw/zinc/33/60/06/1086336006.db2.gz WYPUNNILWNITCH-DLBZAZTESA-N 0 3 316.445 3.081 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)[C@H]1CC ZINC001087651522 1086339690 /nfs/dbraw/zinc/33/96/90/1086339690.db2.gz SWYGDLNCUWVMJI-JKSUJKDBSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)[C@H]1CC ZINC001087712796 1086373795 /nfs/dbraw/zinc/37/37/95/1086373795.db2.gz BBWAIBISQXFAHI-LSDHHAIUSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(OCC)c2)[C@H]1CC ZINC001087747947 1086394382 /nfs/dbraw/zinc/39/43/82/1086394382.db2.gz GHLBTNDZJIWFPB-DLBZAZTESA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@H]1CC ZINC001087763617 1086401112 /nfs/dbraw/zinc/40/11/12/1086401112.db2.gz CFZQFZKVLXTBGW-XOKHGSTOSA-N 0 3 304.434 3.155 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@H]1CC ZINC001087763616 1086401576 /nfs/dbraw/zinc/40/15/76/1086401576.db2.gz CFZQFZKVLXTBGW-RRQGHBQHSA-N 0 3 304.434 3.155 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)[C@H]1CC ZINC001087766646 1086402846 /nfs/dbraw/zinc/40/28/46/1086402846.db2.gz KEEAVYBBCFVUQS-JKSUJKDBSA-N 0 3 306.837 3.417 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2oc(CCC)nc2C)[C@H]1CC ZINC001087796746 1086412423 /nfs/dbraw/zinc/41/24/23/1086412423.db2.gz LTGCLNOLKIFUKV-LSDHHAIUSA-N 0 3 319.449 3.094 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2OCC)[C@H]1CC ZINC001087815942 1086422850 /nfs/dbraw/zinc/42/28/50/1086422850.db2.gz LPZDQEBROZUPEN-DLBZAZTESA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1CC ZINC001087820747 1086427592 /nfs/dbraw/zinc/42/75/92/1086427592.db2.gz VDAIXTCKTRNKLZ-DLBZAZTESA-N 0 3 300.446 3.381 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)[C@H]1CC ZINC001087822588 1086429334 /nfs/dbraw/zinc/42/93/34/1086429334.db2.gz YKRNULVBUPCCDW-JKSUJKDBSA-N 0 3 318.486 3.225 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001088216097 1086657340 /nfs/dbraw/zinc/65/73/40/1086657340.db2.gz QCRPLNJUKSJYGB-MSOLQXFVSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001088216149 1086657558 /nfs/dbraw/zinc/65/75/58/1086657558.db2.gz SIKHNPWMKXSOAX-KSZLIROESA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001112183574 1086702429 /nfs/dbraw/zinc/70/24/29/1086702429.db2.gz POWGUJIVKJQWNJ-BFHYXJOUSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccns1 ZINC001482494818 1086718439 /nfs/dbraw/zinc/71/84/39/1086718439.db2.gz YONQFSCNNYYQET-HOCLYGCPSA-N 0 3 321.490 3.216 20 30 DGEDHN CCCC(=O)NC[C@@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC001482511046 1086738854 /nfs/dbraw/zinc/73/88/54/1086738854.db2.gz BOMOCTGLDFELIA-QGZVFWFLSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC001088302503 1086778163 /nfs/dbraw/zinc/77/81/63/1086778163.db2.gz CEEPZPUOMQDRJU-FDMDGMSGSA-N 0 3 321.852 3.141 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088320927 1086791090 /nfs/dbraw/zinc/79/10/90/1086791090.db2.gz QTFUMUMCVQBRMU-CYBMUJFWSA-N 0 3 304.837 3.095 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(F)CCCC2)C1 ZINC001088338604 1086821099 /nfs/dbraw/zinc/82/10/99/1086821099.db2.gz KICGLRZNOBTQKK-CQSZACIVSA-N 0 3 316.848 3.382 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(C)c1C)C(C)C ZINC001271930308 1086842052 /nfs/dbraw/zinc/84/20/52/1086842052.db2.gz OELCTTCWRWJFTL-MRXNPFEDSA-N 0 3 308.853 3.400 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001088396938 1086908822 /nfs/dbraw/zinc/90/88/22/1086908822.db2.gz VSJZOCQBLXMMJV-OWCLPIDISA-N 0 3 310.869 3.146 20 30 DGEDHN CN(C)/C=N/c1ccc(NC2(c3ccccn3)CC2)cc1C#N ZINC001168151825 1086991730 /nfs/dbraw/zinc/99/17/30/1086991730.db2.gz VSYSBOYJFXIWNR-FYJGNVAPSA-N 0 3 305.385 3.276 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1[nH]c2ccccc2c1Cl ZINC001272055128 1087034051 /nfs/dbraw/zinc/03/40/51/1087034051.db2.gz IGNCGAJCEYYAAI-UHFFFAOYSA-N 0 3 319.836 3.401 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1scnc1C1CCCC1 ZINC001272054677 1087034137 /nfs/dbraw/zinc/03/41/37/1087034137.db2.gz BCQDKUXPMABDSJ-UHFFFAOYSA-N 0 3 321.490 3.381 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2coc3ccc(CC)cc23)[C@H]1C ZINC001088568733 1087071656 /nfs/dbraw/zinc/07/16/56/1087071656.db2.gz SRRRWWCSJIIWKL-KDOFPFPSSA-N 0 3 324.424 3.211 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cscc2C(F)F)[C@H]1C ZINC001088571563 1087072029 /nfs/dbraw/zinc/07/20/29/1087072029.db2.gz FIOJQODHIYJWTE-MFKMUULPSA-N 0 3 314.401 3.454 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)[C@H]1C ZINC001088571351 1087072069 /nfs/dbraw/zinc/07/20/69/1087072069.db2.gz VFEGMQTXGQRISU-SPUZQDLCSA-N 0 3 312.457 3.191 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNCc1cscn1 ZINC001482678878 1087136151 /nfs/dbraw/zinc/13/61/51/1087136151.db2.gz MQCOXNLEEMGZTK-UKRRQHHQSA-N 0 3 321.490 3.120 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CCNCc1ccc(F)cc1Cl ZINC001482829558 1087166494 /nfs/dbraw/zinc/16/64/94/1087166494.db2.gz BLDNNQWWQFFEGA-CYBMUJFWSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNCc1nc(C)sc1C ZINC001482867212 1087175595 /nfs/dbraw/zinc/17/55/95/1087175595.db2.gz FVWUPRXVEXCDPW-SJKOYZFVSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001482865694 1087175710 /nfs/dbraw/zinc/17/57/10/1087175710.db2.gz QTHNFGYMUIXKEG-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(Cl)c(CCC)c1 ZINC001272151999 1087220980 /nfs/dbraw/zinc/22/09/80/1087220980.db2.gz LEUFORNJDLLJGW-UHFFFAOYSA-N 0 3 308.853 3.482 20 30 DGEDHN C[C@@H](NC/C=C\CNC(=O)C#CC1CC1)c1cccc(Cl)c1 ZINC001483007339 1087233299 /nfs/dbraw/zinc/23/32/99/1087233299.db2.gz JPIBTSZKDWWRRP-PYLYLYNFSA-N 0 3 316.832 3.076 20 30 DGEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C[C@@H]2C=CCCC2)c1 ZINC001483023533 1087237987 /nfs/dbraw/zinc/23/79/87/1087237987.db2.gz LFMJXSPNEBCMMU-VGOKWCNXSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)[C@H]1C ZINC001088664659 1087249651 /nfs/dbraw/zinc/24/96/51/1087249651.db2.gz CMQPIIVKLMQWSG-MNEFBYGVSA-N 0 3 312.457 3.262 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2C)cc1 ZINC001088671411 1087250599 /nfs/dbraw/zinc/25/05/99/1087250599.db2.gz GNCXGFZUDUEBRJ-QAPCUYQASA-N 0 3 314.429 3.020 20 30 DGEDHN C=CCC1(C(=O)NC/C=C\CNCc2cccc(F)c2)CCC1 ZINC001483058957 1087311954 /nfs/dbraw/zinc/31/19/54/1087311954.db2.gz YEEXSXMWFCHINP-ARJAWSKDSA-N 0 3 316.420 3.334 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CCCC)cc2)[C@H]1C ZINC001088722209 1087323531 /nfs/dbraw/zinc/32/35/31/1087323531.db2.gz PRJOTDWZULRQSR-APWZRJJASA-N 0 3 312.457 3.245 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ccsc31)C2 ZINC001098156371 1087334421 /nfs/dbraw/zinc/33/44/21/1087334421.db2.gz GGWRRWAFMLPLAY-OIISXLGYSA-N 0 3 324.449 3.260 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)[C@H]1C ZINC001088754916 1087336508 /nfs/dbraw/zinc/33/65/08/1087336508.db2.gz WNWPYVPAXHLYLJ-QAPCUYQASA-N 0 3 323.440 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1C ZINC001088831814 1087400091 /nfs/dbraw/zinc/40/00/91/1087400091.db2.gz FRTCNYZFIKICNO-CJNGLKHVSA-N 0 3 306.837 3.038 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483182960 1087412808 /nfs/dbraw/zinc/41/28/08/1087412808.db2.gz SRDQDSRWKWEAKC-ZIAGYGMSSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001483261076 1087452191 /nfs/dbraw/zinc/45/21/91/1087452191.db2.gz RGMDEENOPOFFLD-NSHDSACASA-N 0 3 300.855 3.352 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001483495304 1087515073 /nfs/dbraw/zinc/51/50/73/1087515073.db2.gz WAMDRLCCJZLRMA-ZSHCYNCHSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccnc(Cl)c1)C1CC1 ZINC001483562893 1087525920 /nfs/dbraw/zinc/52/59/20/1087525920.db2.gz MMDSYFGMBVRFDP-HNNXBMFYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)[C@H]1C ZINC001088931175 1087605709 /nfs/dbraw/zinc/60/57/09/1087605709.db2.gz ONRSBMWJLALVMB-AYBZRNKSSA-N 0 3 312.457 3.262 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)[C@H]1C ZINC001089050559 1087627806 /nfs/dbraw/zinc/62/78/06/1087627806.db2.gz JKTQKJPGYWNRTE-CPUCHLNUSA-N 0 3 318.848 3.046 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@H]1C ZINC001089051230 1087628266 /nfs/dbraw/zinc/62/82/66/1087628266.db2.gz GXJLKJMYIXGCTC-CPUCHLNUSA-N 0 3 304.409 3.084 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)[C@H]1C ZINC001089063373 1087629486 /nfs/dbraw/zinc/62/94/86/1087629486.db2.gz ACMMOOAEEIMCTG-MDZRGWNJSA-N 0 3 312.457 3.416 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001483675103 1087629848 /nfs/dbraw/zinc/62/98/48/1087629848.db2.gz XLNILVLVAXCHJR-KGLIPLIRSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)CCC1 ZINC001483679356 1087638407 /nfs/dbraw/zinc/63/84/07/1087638407.db2.gz ZXJHWTFWOVFGHL-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(F)=C(C)C)C2 ZINC001120942878 1087645840 /nfs/dbraw/zinc/64/58/40/1087645840.db2.gz ZKDJURNOFVDCGD-UHFFFAOYSA-N 0 3 300.805 3.019 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC(F)F ZINC001099107343 1087645878 /nfs/dbraw/zinc/64/58/78/1087645878.db2.gz XXHHPFCHQPVQFV-ZDUSSCGKSA-N 0 3 316.436 3.461 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H](C)c2ccccc2C)CCC1 ZINC001280522619 1087649555 /nfs/dbraw/zinc/64/95/55/1087649555.db2.gz NULSJUHRPOJASR-KRWDZBQOSA-N 0 3 312.457 3.140 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1coc2ccccc12 ZINC001483685905 1087652790 /nfs/dbraw/zinc/65/27/90/1087652790.db2.gz DFANPLDVNKEZGC-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001483686919 1087653600 /nfs/dbraw/zinc/65/36/00/1087653600.db2.gz XGQRRDYTZNOELD-QGZVFWFLSA-N 0 3 303.450 3.165 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001099116504 1087654372 /nfs/dbraw/zinc/65/43/72/1087654372.db2.gz SOPVKZDRVXHBMJ-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H]1CCN1CCC(C)C)c1ccccc1 ZINC001483704127 1087680038 /nfs/dbraw/zinc/68/00/38/1087680038.db2.gz FPBYUYXGSIUMOZ-ZWKOTPCHSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001483706015 1087682270 /nfs/dbraw/zinc/68/22/70/1087682270.db2.gz LGYJTIKGVUMXEM-HKUYNNGSSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001483706022 1087682506 /nfs/dbraw/zinc/68/25/06/1087682506.db2.gz LGYJTIKGVUMXEM-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001272456291 1087711710 /nfs/dbraw/zinc/71/17/10/1087711710.db2.gz DHFNYTDKXKRRLA-OLZOCXBDSA-N 0 3 320.811 3.003 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001483730191 1087713024 /nfs/dbraw/zinc/71/30/24/1087713024.db2.gz FIAQFQXSJDHSSW-CYBMUJFWSA-N 0 3 320.383 3.068 20 30 DGEDHN CCCCCCCN1CCC[C@]12CCN([C@H](C)C(C)=O)C2=O ZINC001272476358 1087718654 /nfs/dbraw/zinc/71/86/54/1087718654.db2.gz LSSGGISGWLFPFV-CRAIPNDOSA-N 0 3 308.466 3.001 20 30 DGEDHN CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)s2)CC(C)(C)C1 ZINC001089285443 1087734196 /nfs/dbraw/zinc/73/41/96/1087734196.db2.gz KTAPALKLHMOLNZ-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2CCCC(F)(F)F ZINC001272506543 1087767624 /nfs/dbraw/zinc/76/76/24/1087767624.db2.gz OPQPEVLFVQUKHI-HNNXBMFYSA-N 0 3 318.383 3.362 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001122042692 1087787116 /nfs/dbraw/zinc/78/71/16/1087787116.db2.gz MIONTKQBFIIUAR-IKGGRYGDSA-N 0 3 310.482 3.138 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C/C=C(/C)C=C ZINC001158350588 1087788131 /nfs/dbraw/zinc/78/81/31/1087788131.db2.gz SLUWZYHKZKXYLM-DAIOKFOQSA-N 0 3 320.477 3.024 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc4c(c3)CCC4)CC2)C1=O ZINC001272536012 1087790079 /nfs/dbraw/zinc/79/00/79/1087790079.db2.gz QIYSYOZIQYSDGA-UHFFFAOYSA-N 0 3 324.468 3.176 20 30 DGEDHN Cc1cnc(N[C@@](C)(C#N)c2ccccc2Cl)c(CN)c1 ZINC001158481685 1087859687 /nfs/dbraw/zinc/85/96/87/1087859687.db2.gz APFMNMKNMLFNTL-INIZCTEOSA-N 0 3 300.793 3.353 20 30 DGEDHN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089316197 1087913482 /nfs/dbraw/zinc/91/34/82/1087913482.db2.gz BSIYMKWNOOVTOP-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089316197 1087913495 /nfs/dbraw/zinc/91/34/95/1087913495.db2.gz BSIYMKWNOOVTOP-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(C)C ZINC001158673487 1087965728 /nfs/dbraw/zinc/96/57/28/1087965728.db2.gz JEFUOLHCMWRFKS-QZTJIDSGSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccccc1C ZINC001158841176 1088064300 /nfs/dbraw/zinc/06/43/00/1088064300.db2.gz CIEYWFGBOUNLFR-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccccc3F)CC2)C1=O ZINC001272595598 1088101815 /nfs/dbraw/zinc/10/18/15/1088101815.db2.gz WBMLYZRLHOKBGO-IBGZPJMESA-N 0 3 316.420 3.216 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC2CCC1CC2 ZINC001158928067 1088105439 /nfs/dbraw/zinc/10/54/39/1088105439.db2.gz LXJOYWHAIFXMEU-OPQOLIRYSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccc(C)s1 ZINC001158961918 1088116401 /nfs/dbraw/zinc/11/64/01/1088116401.db2.gz BTSVIJFELQDFPF-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](OC)C1CCCCC1 ZINC001158976655 1088120955 /nfs/dbraw/zinc/12/09/55/1088120955.db2.gz HZFZVJRFVFQWHN-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001153007738 1088135770 /nfs/dbraw/zinc/13/57/70/1088135770.db2.gz VXXLUIYEWYJNHA-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN CCN(Cc1csc(C)c1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207956 1088187544 /nfs/dbraw/zinc/18/75/44/1088187544.db2.gz XVKUZZAUMSNSQD-CQSZACIVSA-N 0 3 306.475 3.043 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2csc3ccccc23)C1=O ZINC001272623224 1088330322 /nfs/dbraw/zinc/33/03/22/1088330322.db2.gz XYWAGMWFZHUGLF-IBGZPJMESA-N 0 3 324.449 3.101 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001099264085 1088377624 /nfs/dbraw/zinc/37/76/24/1088377624.db2.gz MZWVEHREWXJHSM-CVEARBPZSA-N 0 3 318.461 3.484 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C\c1cccc(F)c1 ZINC001153872329 1088394062 /nfs/dbraw/zinc/39/40/62/1088394062.db2.gz XXIQURRLXQPMQQ-SIJIIQCFSA-N 0 3 316.420 3.079 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c2ccccc2n1 ZINC001154058949 1088457176 /nfs/dbraw/zinc/45/71/76/1088457176.db2.gz KAQGLNAOINIXQZ-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001154066034 1088459042 /nfs/dbraw/zinc/45/90/42/1088459042.db2.gz KMDRNRNRTIYSKR-CQSZACIVSA-N 0 3 314.420 3.052 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1CCC ZINC001154251470 1088537161 /nfs/dbraw/zinc/53/71/61/1088537161.db2.gz SAJMEHPOYJEJSN-MRXNPFEDSA-N 0 3 300.446 3.103 20 30 DGEDHN Cc1nc(NC(=N)c2ccc3ccccc3n2)cc2[nH]ccc21 ZINC001159904614 1088541597 /nfs/dbraw/zinc/54/15/97/1088541597.db2.gz VCXXSUOJVRQYHE-UHFFFAOYSA-N 0 3 301.353 3.457 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2=CCCCCC2)CC1 ZINC001159923229 1088553356 /nfs/dbraw/zinc/55/33/56/1088553356.db2.gz VDVNIIBCYOCESC-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212230989 1088581303 /nfs/dbraw/zinc/58/13/03/1088581303.db2.gz HGVNXNCGNKOWPG-QZTJIDSGSA-N 0 3 322.493 3.273 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2CC)CC(C)(C)C1 ZINC001089472648 1088664177 /nfs/dbraw/zinc/66/41/77/1088664177.db2.gz LWXFVJGJQPVQBJ-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089473617 1088666882 /nfs/dbraw/zinc/66/68/82/1088666882.db2.gz ZXYKETYJKMDCAS-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2C)CC(C)(C)C1 ZINC001089497650 1088692443 /nfs/dbraw/zinc/69/24/43/1088692443.db2.gz GBKHBKHXUHKVAD-KRWDZBQOSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc3occc3c2)CC1 ZINC001160201696 1088695463 /nfs/dbraw/zinc/69/54/63/1088695463.db2.gz DAHQXUXOPQHVDS-UHFFFAOYSA-N 0 3 322.408 3.208 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)CC(C)(C)C1 ZINC001089542010 1088725664 /nfs/dbraw/zinc/72/56/64/1088725664.db2.gz QJRJFTWMINNGPE-HNNXBMFYSA-N 0 3 316.445 3.004 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)CC(C)(C)C1 ZINC001089553609 1088741806 /nfs/dbraw/zinc/74/18/06/1088741806.db2.gz XDMBNQOLMKBJEP-KRWDZBQOSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)oc2ccccc21 ZINC001154775299 1088751885 /nfs/dbraw/zinc/75/18/85/1088751885.db2.gz XQXVLKSNCWICAZ-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001089625774 1088843144 /nfs/dbraw/zinc/84/31/44/1088843144.db2.gz RHVZBOWBUJZGPG-QGZVFWFLSA-N 0 3 315.461 3.187 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001089627267 1088850205 /nfs/dbraw/zinc/85/02/05/1088850205.db2.gz WJRRVSHTPUKKEW-MRXNPFEDSA-N 0 3 316.445 3.140 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001089630345 1088850358 /nfs/dbraw/zinc/85/03/58/1088850358.db2.gz GEEHNTQMGNHGSX-HNNXBMFYSA-N 0 3 319.424 3.017 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963053 1088856311 /nfs/dbraw/zinc/85/63/11/1088856311.db2.gz ADLVGRIQPUBDNI-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(CC)s2)CC1 ZINC001160612857 1088893139 /nfs/dbraw/zinc/89/31/39/1088893139.db2.gz FKEVCYNDVLHJTR-UHFFFAOYSA-N 0 3 304.459 3.249 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cc(C)sc2C)CC1 ZINC001160614003 1088895084 /nfs/dbraw/zinc/89/50/84/1088895084.db2.gz YSOXMBZQKGVZJM-UHFFFAOYSA-N 0 3 316.470 3.140 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001089649482 1088911343 /nfs/dbraw/zinc/91/13/43/1088911343.db2.gz JXSCSGLQAROVFB-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)Cc2ccsc2)C1 ZINC001155120730 1088960529 /nfs/dbraw/zinc/96/05/29/1088960529.db2.gz UPXSVUWVFNOIMP-CQSZACIVSA-N 0 3 306.475 3.431 20 30 DGEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1-n1nccc1CN ZINC001155130239 1088964578 /nfs/dbraw/zinc/96/45/78/1088964578.db2.gz HECTXMBREHTVJT-UHFFFAOYSA-N 0 3 318.167 3.058 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC001160835538 1088987241 /nfs/dbraw/zinc/98/72/41/1088987241.db2.gz CHFYRVLCEIFFPY-UHFFFAOYSA-N 0 3 323.440 3.414 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001089657257 1089020235 /nfs/dbraw/zinc/02/02/35/1089020235.db2.gz BPYGXHHKHPUZDV-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cncc(OCc2ccccc2)n1 ZINC001160953077 1089036286 /nfs/dbraw/zinc/03/62/86/1089036286.db2.gz PQYQULSVUQZTKQ-KRWDZBQOSA-N 0 3 324.428 3.118 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3ncccc3c2)CC1 ZINC001161121209 1089124433 /nfs/dbraw/zinc/12/44/33/1089124433.db2.gz BUISJYJAUQNXQG-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001484049128 1089140638 /nfs/dbraw/zinc/14/06/38/1089140638.db2.gz NEKCSXUDNHIJOW-QGZVFWFLSA-N 0 3 306.475 3.493 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCc2ccc(C)cc2C)C1 ZINC001484055447 1089144062 /nfs/dbraw/zinc/14/40/62/1089144062.db2.gz UIWFSMJOWQNWDY-IBGZPJMESA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3occc3s2)CC1 ZINC001161200893 1089153270 /nfs/dbraw/zinc/15/32/70/1089153270.db2.gz XHZMYFHADUIIPM-UHFFFAOYSA-N 0 3 316.426 3.432 20 30 DGEDHN N#Cc1c(N[C@@H]2CNCc3ccsc32)ncc2c1CCCC2 ZINC001155570426 1089168499 /nfs/dbraw/zinc/16/84/99/1089168499.db2.gz MOHIBRWZGVNECV-OAHLLOKOSA-N 0 3 310.426 3.150 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001089692916 1089194302 /nfs/dbraw/zinc/19/43/02/1089194302.db2.gz DMWNPJSVXOZTEE-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001089703489 1089252142 /nfs/dbraw/zinc/25/21/42/1089252142.db2.gz KNXQIUYWURNDOK-INIZCTEOSA-N 0 3 317.477 3.428 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001484165123 1089257164 /nfs/dbraw/zinc/25/71/64/1089257164.db2.gz MVBRRNVRSJBXEF-IBGZPJMESA-N 0 3 316.489 3.198 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001484168051 1089261941 /nfs/dbraw/zinc/26/19/41/1089261941.db2.gz VJQGBNVSLANJQK-GOSISDBHSA-N 0 3 303.450 3.156 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001484167367 1089263413 /nfs/dbraw/zinc/26/34/13/1089263413.db2.gz DQXDTDPIPXWWFM-APWZRJJASA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001484198080 1089287010 /nfs/dbraw/zinc/28/70/10/1089287010.db2.gz FVMLUCOKOHGZKL-ZFWWWQNUSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001089725546 1089305462 /nfs/dbraw/zinc/30/54/62/1089305462.db2.gz DFKYANKMKLJKOI-MRXNPFEDSA-N 0 3 316.445 3.102 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1CC ZINC001484324328 1089336033 /nfs/dbraw/zinc/33/60/33/1089336033.db2.gz UALYLZVOPAPBNV-XFKSJGNHSA-N 0 3 324.468 3.065 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1CCC[C@@H]1C ZINC001484398494 1089395959 /nfs/dbraw/zinc/39/59/59/1089395959.db2.gz AFQLXEREWULEJY-PKOBYXMFSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2sc(C)cc2C)CC1 ZINC001161796361 1089406932 /nfs/dbraw/zinc/40/69/32/1089406932.db2.gz DGXGOEBENMMJPE-UHFFFAOYSA-N 0 3 318.486 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCCc3cccs3)[C@@H]2C1 ZINC001484471824 1089438178 /nfs/dbraw/zinc/43/81/78/1089438178.db2.gz GFAQFMFYBZVREV-DOTOQJQBSA-N 0 3 318.486 3.180 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CSCCC)cc1 ZINC001272683644 1089441516 /nfs/dbraw/zinc/44/15/16/1089441516.db2.gz QTYPWFZCHMGSBN-HNNXBMFYSA-N 0 3 318.486 3.120 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CCC1 ZINC001089793267 1089471661 /nfs/dbraw/zinc/47/16/61/1089471661.db2.gz UMAOQGSYZSBSSF-YVSFHVDLSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C[C@H](C(=O)NCCC1=CCN(CC#CC)CC1)c1ccccc1 ZINC001161924478 1089475144 /nfs/dbraw/zinc/47/51/44/1089475144.db2.gz DTSYYJDEUJOILT-FQEVSTJZSA-N 0 3 322.452 3.118 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001156319240 1089476890 /nfs/dbraw/zinc/47/68/90/1089476890.db2.gz RMAJJKJUDOWGFE-IEBWSBKVSA-N 0 3 314.473 3.276 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001484554538 1089489271 /nfs/dbraw/zinc/48/92/71/1089489271.db2.gz YREMGZRJQNZTKH-QAPCUYQASA-N 0 3 318.436 3.449 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(F)s2)C1 ZINC001484555192 1089490776 /nfs/dbraw/zinc/49/07/76/1089490776.db2.gz YBCIPBBXEFDZQB-LLVKDONJSA-N 0 3 316.829 3.082 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(C)=C2CCC2)cc1 ZINC001484558386 1089493150 /nfs/dbraw/zinc/49/31/50/1089493150.db2.gz FJPFTIAUMRQHEV-INIZCTEOSA-N 0 3 310.441 3.477 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1cc2ccccc2o1 ZINC001162124605 1089558494 /nfs/dbraw/zinc/55/84/94/1089558494.db2.gz CCZIMALZCPRYNA-UHFFFAOYSA-N 0 3 320.820 3.214 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001162129529 1089559933 /nfs/dbraw/zinc/55/99/33/1089559933.db2.gz GAJKCHNCWHVVOB-IUODEOHRSA-N 0 3 324.852 3.184 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc2ccccc21 ZINC001156561488 1089585122 /nfs/dbraw/zinc/58/51/22/1089585122.db2.gz WCPJGBIDWZBCML-QGZVFWFLSA-N 0 3 322.452 3.232 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001156560434 1089585909 /nfs/dbraw/zinc/58/59/09/1089585909.db2.gz ILNAASFEMVPSSL-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001212338443 1089585828 /nfs/dbraw/zinc/58/58/28/1089585828.db2.gz KXJWODAYCNLCEC-CZDHMLMNSA-N 0 3 322.493 3.151 20 30 DGEDHN CN(C)/C=N/c1ccc(NCCC2CCOCC2)cc1C#N ZINC001162222354 1089613828 /nfs/dbraw/zinc/61/38/28/1089613828.db2.gz CYPHGKWCFLOZLP-DEDYPNTBSA-N 0 3 300.406 3.008 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc(SC)cc1 ZINC001156672490 1089636004 /nfs/dbraw/zinc/63/60/04/1089636004.db2.gz QGCKXXZELKYJBD-UHFFFAOYSA-N 0 3 320.502 3.307 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCN(C)Cc1sc(C)nc1C ZINC001484745251 1089639473 /nfs/dbraw/zinc/63/94/73/1089639473.db2.gz YDPIPTZTQXJXKR-UHFFFAOYSA-N 0 3 323.506 3.397 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-c2ccco2)o1 ZINC001162257175 1089643226 /nfs/dbraw/zinc/64/32/26/1089643226.db2.gz MCAYWZYNBLKSRG-UHFFFAOYSA-N 0 3 308.765 3.002 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c[nH]cc1-c1ccccc1 ZINC001156889725 1089733250 /nfs/dbraw/zinc/73/32/50/1089733250.db2.gz DAFOEBQRZKIBKK-MRXNPFEDSA-N 0 3 323.440 3.145 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001484940140 1089773845 /nfs/dbraw/zinc/77/38/45/1089773845.db2.gz BERAAROCEVUPNU-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)C(C)(C)C1 ZINC001484943391 1089774574 /nfs/dbraw/zinc/77/45/74/1089774574.db2.gz XZFKEWXYENIRNP-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN Cc1cc(C)c(CNc2ccc(N=CN(C)C)c(C#N)c2)c(=O)[nH]1 ZINC001162606285 1089823480 /nfs/dbraw/zinc/82/34/80/1089823480.db2.gz QLMVXSDNSCDVPE-SRZZPIQSSA-N 0 3 323.400 3.109 20 30 DGEDHN CC(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)C#CC1CC1 ZINC001485003535 1089838976 /nfs/dbraw/zinc/83/89/76/1089838976.db2.gz BSUOPZCPKHKIPL-FQEVSTJZSA-N 0 3 324.468 3.162 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)CC(C)(C)C ZINC001162707242 1089895322 /nfs/dbraw/zinc/89/53/22/1089895322.db2.gz OLLCIKMZATZJHH-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(C)cc1C ZINC001485061301 1089912896 /nfs/dbraw/zinc/91/28/96/1089912896.db2.gz RUTQDZOLDRQCLS-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccccc2)co1 ZINC001157358193 1089922583 /nfs/dbraw/zinc/92/25/83/1089922583.db2.gz UJEZESHZNNDIKI-OAHLLOKOSA-N 0 3 310.397 3.020 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@H](C)CCC ZINC001162747474 1089923523 /nfs/dbraw/zinc/92/35/23/1089923523.db2.gz WDZOFVIEPCIQOI-GOSISDBHSA-N 0 3 314.473 3.107 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2cscc2s1 ZINC001162750418 1089924870 /nfs/dbraw/zinc/92/48/70/1089924870.db2.gz BWJBUTJPDUWYAR-UHFFFAOYSA-N 0 3 314.863 3.425 20 30 DGEDHN Cc1c(Cl)cnc(-n2c3ccccc3nc2[C@@H](C)N)c1C#N ZINC001162762464 1089931948 /nfs/dbraw/zinc/93/19/48/1089931948.db2.gz HTCLVVQZBZDMSW-SNVBAGLBSA-N 0 3 311.776 3.274 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2csc(Cl)c2)C1 ZINC001485104321 1089946775 /nfs/dbraw/zinc/94/67/75/1089946775.db2.gz ZIFJYPZUXICHLW-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc2c(C#N)nccc2c1 ZINC001162778757 1089952766 /nfs/dbraw/zinc/95/27/66/1089952766.db2.gz PDJGPKFGUDCMGD-GFCCVEGCSA-N 0 3 313.364 3.465 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@@]1(C)C=CCC1 ZINC001162892964 1090011628 /nfs/dbraw/zinc/01/16/28/1090011628.db2.gz YZHZKHOKCIFXGP-NRFANRHFSA-N 0 3 324.468 3.027 20 30 DGEDHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@H](C)NC(=O)C(C)(C)C ZINC001485214812 1090034252 /nfs/dbraw/zinc/03/42/52/1090034252.db2.gz HYEFGOVPMKZISJ-KBPBESRZSA-N 0 3 320.864 3.220 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CCCCCC ZINC001162992512 1090049095 /nfs/dbraw/zinc/04/90/95/1090049095.db2.gz RGHYXWZQTUDVRS-UHFFFAOYSA-N 0 3 314.473 3.251 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1cc2ccccc2o1 ZINC001485284283 1090068418 /nfs/dbraw/zinc/06/84/18/1090068418.db2.gz JXOJQZFTTIHIND-AWEZNQCLSA-N 0 3 300.402 3.336 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001163164322 1090096605 /nfs/dbraw/zinc/09/66/05/1090096605.db2.gz OGGDTRJSDLDLTM-HOTGVXAUSA-N 0 3 324.827 3.168 20 30 DGEDHN N#Cc1cnc(N[C@H]2CNCc3ccsc32)c2ccccc12 ZINC001163219518 1090119866 /nfs/dbraw/zinc/11/98/66/1090119866.db2.gz AEXVDMVGQSDKRT-HNNXBMFYSA-N 0 3 306.394 3.424 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001157827864 1090122427 /nfs/dbraw/zinc/12/24/27/1090122427.db2.gz RDJIESVHIDPKNS-GOSISDBHSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)OCCCCCC ZINC001157950926 1090156001 /nfs/dbraw/zinc/15/60/01/1090156001.db2.gz KVMSLTCAADCTRL-QZTJIDSGSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)OCCCCCC ZINC001157950927 1090156261 /nfs/dbraw/zinc/15/62/61/1090156261.db2.gz KVMSLTCAADCTRL-ZWKOTPCHSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccsc1 ZINC001158066819 1090180834 /nfs/dbraw/zinc/18/08/34/1090180834.db2.gz STGPQZOKEVETJK-MRXNPFEDSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(CCCc2ccsc2)C1 ZINC001485500397 1090192915 /nfs/dbraw/zinc/19/29/15/1090192915.db2.gz YUUROWVRSOFRRI-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccc(C)s2)C(C)(C)C1 ZINC001485584227 1090219003 /nfs/dbraw/zinc/21/90/03/1090219003.db2.gz RAJFJIDEIDEXSS-MRXNPFEDSA-N 0 3 320.502 3.392 20 30 DGEDHN C=CCCC(=O)NCCC1(CNCc2ccc(F)cc2F)CC1 ZINC001163746747 1090248743 /nfs/dbraw/zinc/24/87/43/1090248743.db2.gz VIXHZGQKWYLZCG-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001485712423 1090252337 /nfs/dbraw/zinc/25/23/37/1090252337.db2.gz ZCSUECWLYUPTFG-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCNCc1ccncc1Cl ZINC001485732532 1090253452 /nfs/dbraw/zinc/25/34/52/1090253452.db2.gz JMKARKBVASDSMH-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1 ZINC001485745006 1090263751 /nfs/dbraw/zinc/26/37/51/1090263751.db2.gz PAGKHFXZCNHBLK-CABCVRRESA-N 0 3 308.853 3.417 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)ccc1F)CC2 ZINC001272707630 1090311052 /nfs/dbraw/zinc/31/10/52/1090311052.db2.gz VRZVXBVODJFXCL-MRXNPFEDSA-N 0 3 316.420 3.038 20 30 DGEDHN N#Cc1ccccc1CNCC1(CCNC(=O)C=C2CCC2)CC1 ZINC001164037407 1090322849 /nfs/dbraw/zinc/32/28/49/1090322849.db2.gz VRBFINPWJGJCLR-UHFFFAOYSA-N 0 3 323.440 3.045 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001164221682 1090376921 /nfs/dbraw/zinc/37/69/21/1090376921.db2.gz CWYKONNETKZTHI-OLZOCXBDSA-N 0 3 310.388 3.019 20 30 DGEDHN CC(C)C(=O)NC[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC001107284113 1090409972 /nfs/dbraw/zinc/40/99/72/1090409972.db2.gz TWFURMYBUCWFGJ-TZIWHRDSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164360170 1090412703 /nfs/dbraw/zinc/41/27/03/1090412703.db2.gz FXLQLILMYMAFIZ-ZDUSSCGKSA-N 0 3 324.852 3.244 20 30 DGEDHN CN(Cc1ccc(N2CCc3cc(C#N)ccc3C2)nc1)C1CC1 ZINC001164484850 1090431831 /nfs/dbraw/zinc/43/18/31/1090431831.db2.gz NHGVKMSSYMTPFG-UHFFFAOYSA-N 0 3 318.424 3.110 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)C(C)C)CC1 ZINC001164686216 1090453792 /nfs/dbraw/zinc/45/37/92/1090453792.db2.gz WZVUFRZORZPLRN-UHFFFAOYSA-N 0 3 300.874 3.297 20 30 DGEDHN C=CCC1(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)CCCC1 ZINC001107658099 1090481001 /nfs/dbraw/zinc/48/10/01/1090481001.db2.gz XDFWFXHXNVEURY-VQIMIIECSA-N 0 3 322.468 3.453 20 30 DGEDHN C=CCCC(=O)NC[C@@]1(C)CN(CC2CCCCCC2)CCO1 ZINC001107802652 1090507408 /nfs/dbraw/zinc/50/74/08/1090507408.db2.gz WIKYZLNATGZSAV-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1cc(OC)ccc1Cl ZINC001165523087 1090528287 /nfs/dbraw/zinc/52/82/87/1090528287.db2.gz YEZNEUMNUACODU-UHFFFAOYSA-N 0 3 324.852 3.301 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001165535400 1090528939 /nfs/dbraw/zinc/52/89/39/1090528939.db2.gz LQYGZHJLYPGGRF-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001165722527 1090542181 /nfs/dbraw/zinc/54/21/81/1090542181.db2.gz VXQUUFOTFNMLAC-GFCCVEGCSA-N 0 3 315.244 3.292 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001165872391 1090555539 /nfs/dbraw/zinc/55/55/39/1090555539.db2.gz ORXDNTURLWJXHH-SOUVJXGZSA-N 0 3 310.869 3.051 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001165922071 1090561488 /nfs/dbraw/zinc/56/14/88/1090561488.db2.gz ZWOPKPNQYQKYNM-SFHVURJKSA-N 0 3 321.465 3.305 20 30 DGEDHN C[C@@H](NCCOCCC#N)c1ccc(F)cc1OC(F)F ZINC001168564648 1090561769 /nfs/dbraw/zinc/56/17/69/1090561769.db2.gz XFDFBCBDTLWSNE-SNVBAGLBSA-N 0 3 302.296 3.008 20 30 DGEDHN COc1ccc([C@H]2C[C@@H](NCC3(C#N)CCC3)CCO2)cc1 ZINC001168577782 1090573538 /nfs/dbraw/zinc/57/35/38/1090573538.db2.gz RLVGRYGYSSAJQF-DOTOQJQBSA-N 0 3 300.402 3.199 20 30 DGEDHN COc1ccc([C@H]2C[C@H](NCC3(C#N)CCC3)CCO2)cc1 ZINC001168577787 1090574347 /nfs/dbraw/zinc/57/43/47/1090574347.db2.gz RLVGRYGYSSAJQF-NVXWUHKLSA-N 0 3 300.402 3.199 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001166250257 1090592777 /nfs/dbraw/zinc/59/27/77/1090592777.db2.gz OWPQBOKSSPAUDA-GJZGRUSLSA-N 0 3 310.869 3.051 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC/C=C\c1ccccc1 ZINC001166479379 1090609992 /nfs/dbraw/zinc/60/99/92/1090609992.db2.gz PQGHBRDTYPLYHK-YHYXMXQVSA-N 0 3 306.837 3.328 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001166685250 1090642447 /nfs/dbraw/zinc/64/24/47/1090642447.db2.gz AXHZYTIZHSHJDL-UKRRQHHQSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCCCC(=O)NCCC1(CNCc2oc(C)nc2C)CC1 ZINC001166910014 1090676463 /nfs/dbraw/zinc/67/64/63/1090676463.db2.gz IVXKVSAUBIXNFH-UHFFFAOYSA-N 0 3 319.449 3.024 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2CCC(F)CC2)CC1 ZINC001167018880 1090695896 /nfs/dbraw/zinc/69/58/96/1090695896.db2.gz QQWBYEKSXVPXEJ-UHFFFAOYSA-N 0 3 316.848 3.143 20 30 DGEDHN C=C[C@H](CO)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001203207582 1090705580 /nfs/dbraw/zinc/70/55/80/1090705580.db2.gz MFXHYUDPRHLMMT-OAHLLOKOSA-N 0 3 305.324 3.394 20 30 DGEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccsc1)CC2 ZINC001272936325 1090705932 /nfs/dbraw/zinc/70/59/32/1090705932.db2.gz KGNBBXJGYONLQV-OAHLLOKOSA-N 0 3 304.459 3.043 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CCc1ccc(C)cc1C ZINC001272936700 1090707142 /nfs/dbraw/zinc/70/71/42/1090707142.db2.gz OOYCSQFACAELCX-MRXNPFEDSA-N 0 3 322.880 3.473 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccccc1F)C2 ZINC001203347283 1090722792 /nfs/dbraw/zinc/72/27/92/1090722792.db2.gz BXUNLEOFDOYYOQ-MOPGFXCFSA-N 0 3 319.420 3.399 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2cccnc2C)CC1 ZINC001485919437 1090727400 /nfs/dbraw/zinc/72/74/00/1090727400.db2.gz MJDAEIIGMQNQFE-HNNXBMFYSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2ccc(Cl)nc2)C1 ZINC001485919994 1090728085 /nfs/dbraw/zinc/72/80/85/1090728085.db2.gz KMQHJRFNAWRAKN-ZDUSSCGKSA-N 0 3 321.852 3.028 20 30 DGEDHN CC(C(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C)=C1CCC1 ZINC001486079050 1090750005 /nfs/dbraw/zinc/75/00/05/1090750005.db2.gz KHUPQQJYLHHASD-FXAWDEMLSA-N 0 3 322.452 3.118 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc3oc(=O)[nH]c3c2)c1 ZINC001203583018 1090761375 /nfs/dbraw/zinc/76/13/75/1090761375.db2.gz NAFQHCMTZWWPJH-UHFFFAOYSA-N 0 3 310.353 3.388 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001486153860 1090767252 /nfs/dbraw/zinc/76/72/52/1090767252.db2.gz JEJSLBXMHHZLQQ-IMFGXOCKSA-N 0 3 312.457 3.164 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(C)cc2)[C@H]1C ZINC001486175080 1090775388 /nfs/dbraw/zinc/77/53/88/1090775388.db2.gz BMTSHIKOYGEHSM-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@H]1C ZINC001486175055 1090776122 /nfs/dbraw/zinc/77/61/22/1090776122.db2.gz BDBBDQVQFKIRGP-IAGOWNOFSA-N 0 3 304.478 3.195 20 30 DGEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)c(C)c1C ZINC001203715097 1090788576 /nfs/dbraw/zinc/78/85/76/1090788576.db2.gz AJWPTFKAYOCBIC-MRXNPFEDSA-N 0 3 303.427 3.086 20 30 DGEDHN COc1ccc(CN2CC[C@H]3SC(=O)C=C3C2)c(C)c1C ZINC001203715097 1090788580 /nfs/dbraw/zinc/78/85/80/1090788580.db2.gz AJWPTFKAYOCBIC-MRXNPFEDSA-N 0 3 303.427 3.086 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cccc(C#N)c1)C2 ZINC001203758053 1090796938 /nfs/dbraw/zinc/79/69/38/1090796938.db2.gz REMPJSQJXZGLJV-HXUWFJFHSA-N 0 3 323.440 3.091 20 30 DGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CCC[C@]1(O)C(F)(F)F ZINC001203757062 1090797638 /nfs/dbraw/zinc/79/76/38/1090797638.db2.gz HRWFSQQPQBQNMW-IUODEOHRSA-N 0 3 312.335 3.084 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc2cnccc2o1)C(C)C ZINC001486370976 1090811164 /nfs/dbraw/zinc/81/11/64/1090811164.db2.gz FGPXNDCKLLHERR-UHFFFAOYSA-N 0 3 315.417 3.186 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001486415121 1090832779 /nfs/dbraw/zinc/83/27/79/1090832779.db2.gz BRBYCGUDOKQODE-CQSZACIVSA-N 0 3 323.506 3.366 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CC=C)CC[C@@H]1C(F)(F)F ZINC001486452449 1090843079 /nfs/dbraw/zinc/84/30/79/1090843079.db2.gz JBYKSEQUEXGBOY-QWHCGFSZSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCC2(C)CC2)CC[C@@H]1C(F)(F)F ZINC001486452540 1090843362 /nfs/dbraw/zinc/84/33/62/1090843362.db2.gz KCZRDVBIFSXDTL-QWHCGFSZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001128184389 1090880721 /nfs/dbraw/zinc/88/07/21/1090880721.db2.gz IPIPBKVLMHZAGI-UHFFFAOYSA-N 0 3 315.244 3.325 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001128245872 1090923343 /nfs/dbraw/zinc/92/33/43/1090923343.db2.gz JRZDXPSAICZXGJ-INIZCTEOSA-N 0 3 322.399 3.260 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc2ccccc2o1 ZINC001272964837 1090935149 /nfs/dbraw/zinc/93/51/49/1090935149.db2.gz PSPOFZLSHJIYNO-FQEVSTJZSA-N 0 3 322.408 3.023 20 30 DGEDHN C=CCOc1ccc(CN2CCCN(c3cccnc3)CC2)cc1 ZINC001204302473 1090944516 /nfs/dbraw/zinc/94/45/16/1090944516.db2.gz JNCNLZAYELCDMP-UHFFFAOYSA-N 0 3 323.440 3.359 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCCN(Cc2ccccc2C#N)C1 ZINC001204368577 1090957766 /nfs/dbraw/zinc/95/77/66/1090957766.db2.gz QRADKWBGVLEDJO-GOSISDBHSA-N 0 3 300.402 3.114 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(F)cc3Cl)C2)C1=O ZINC001272998947 1090977687 /nfs/dbraw/zinc/97/76/87/1090977687.db2.gz IKIXWTYIJIXGRU-QGZVFWFLSA-N 0 3 322.811 3.090 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(F)c(Cl)c3F)CCC2S1 ZINC001143618121 1090987025 /nfs/dbraw/zinc/98/70/25/1090987025.db2.gz JUPQGYBSLOIYEZ-LLVKDONJSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccc(F)c1C)C2 ZINC001204512016 1090987491 /nfs/dbraw/zinc/98/74/91/1090987491.db2.gz YEHJNXKBILVPHL-MJGOQNOKSA-N 0 3 319.420 3.460 20 30 DGEDHN Cc1c(C#N)c(N2CCN(C(C)(C)C)CC2)nc2ccccc12 ZINC001117753940 1091055949 /nfs/dbraw/zinc/05/59/49/1091055949.db2.gz CRJXLYJKMDVVBS-UHFFFAOYSA-N 0 3 308.429 3.335 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108148737 1091152393 /nfs/dbraw/zinc/15/23/93/1091152393.db2.gz NNZWPCUMZXMBAB-QFBILLFUSA-N 0 3 324.509 3.232 20 30 DGEDHN CCN(CC)c1ccc(CN2CCC(S)CC2)c(OC)c1 ZINC001138390407 1091164615 /nfs/dbraw/zinc/16/46/15/1091164615.db2.gz VOYDAGRUDVGDSL-UHFFFAOYSA-N 0 3 308.491 3.436 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cccs1 ZINC001098854891 1091180950 /nfs/dbraw/zinc/18/09/50/1091180950.db2.gz CXXDDHCASGMEHD-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)cc1 ZINC001138560216 1091228078 /nfs/dbraw/zinc/22/80/78/1091228078.db2.gz LWUPMDQPCDRPIQ-LJQANCHMSA-N 0 3 319.404 3.403 20 30 DGEDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1cccc(C#N)n1 ZINC001205489599 1091234659 /nfs/dbraw/zinc/23/46/59/1091234659.db2.gz VCTLUWCYSQVIEZ-RBUKOAKNSA-N 0 3 321.424 3.427 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c1[O-] ZINC001138625876 1091260549 /nfs/dbraw/zinc/26/05/49/1091260549.db2.gz VQMCVIMWEOPIOY-QGZVFWFLSA-N 0 3 301.430 3.105 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1[O-] ZINC001138630237 1091264128 /nfs/dbraw/zinc/26/41/28/1091264128.db2.gz SQRZKAGPNJMQBR-KRWDZBQOSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1[O-] ZINC001138630237 1091264137 /nfs/dbraw/zinc/26/41/37/1091264137.db2.gz SQRZKAGPNJMQBR-KRWDZBQOSA-N 0 3 310.397 3.169 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC(n2cnnc2)CC1 ZINC001138665688 1091281138 /nfs/dbraw/zinc/28/11/38/1091281138.db2.gz TVNDUXVGAFJZMP-UHFFFAOYSA-N 0 3 312.417 3.070 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108173137 1091283839 /nfs/dbraw/zinc/28/38/39/1091283839.db2.gz LHXRYYFMSCUCFY-APWZRJJASA-N 0 3 324.509 3.375 20 30 DGEDHN O=C1C=C2CN(Cc3ccccc3OC(F)F)CCC2S1 ZINC001138910307 1091375397 /nfs/dbraw/zinc/37/53/97/1091375397.db2.gz XAYHATZHZWPGSE-CYBMUJFWSA-N 0 3 311.353 3.062 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001273204933 1091413794 /nfs/dbraw/zinc/41/37/94/1091413794.db2.gz PADQTGVDOQSVIG-GOEBONIOSA-N 0 3 322.880 3.411 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)cc(Cl)cc3F)CCC2S1 ZINC001139048719 1091428865 /nfs/dbraw/zinc/42/88/65/1091428865.db2.gz BROJMCKGNSMDOC-CYBMUJFWSA-N 0 3 315.772 3.392 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)c(OC)c(F)c2)no1 ZINC001206094658 1091489386 /nfs/dbraw/zinc/48/93/86/1091489386.db2.gz SSIOVKLWTODECH-UHFFFAOYSA-N 0 3 321.327 3.132 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084574203 1091504743 /nfs/dbraw/zinc/50/47/43/1091504743.db2.gz VKCURUHMSLWRGT-QZTJIDSGSA-N 0 3 312.457 3.322 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001084775193 1091561267 /nfs/dbraw/zinc/56/12/67/1091561267.db2.gz WQBPUDICGKJNEG-KZNAEPCWSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001084803087 1091576049 /nfs/dbraw/zinc/57/60/49/1091576049.db2.gz GKIAADDMPVIGDD-CHWSQXEVSA-N 0 3 324.371 3.330 20 30 DGEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001139613361 1091620587 /nfs/dbraw/zinc/62/05/87/1091620587.db2.gz QMJKEMKSZVFEAI-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN C=CCn1cc(CN2CCC(c3ccc(OC)cc3)CC2)cn1 ZINC001139770183 1091667365 /nfs/dbraw/zinc/66/73/65/1091667365.db2.gz GLLFIGGQXZUCQM-UHFFFAOYSA-N 0 3 311.429 3.457 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C=C)c3ccccc3)C[C@@H]21 ZINC001085099263 1091670195 /nfs/dbraw/zinc/67/01/95/1091670195.db2.gz KTTPIVOAZXXARP-QRVBRYPASA-N 0 3 310.441 3.065 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H](Oc4cccnc4)C3)c2c1 ZINC001140113788 1091773537 /nfs/dbraw/zinc/77/35/37/1091773537.db2.gz CVXLKQALUVMRLM-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2cc(C)sc2C)C[C@H]1C ZINC001206912702 1091793123 /nfs/dbraw/zinc/79/31/23/1091793123.db2.gz YQXMNCPLHYEDHK-CXAGYDPISA-N 0 3 318.486 3.105 20 30 DGEDHN Cn1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC001207106248 1091845723 /nfs/dbraw/zinc/84/57/23/1091845723.db2.gz HSWOXCLXMLLLAF-UHFFFAOYSA-N 0 3 318.424 3.223 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC001085611262 1091855835 /nfs/dbraw/zinc/85/58/35/1091855835.db2.gz NWXHOXCVLOMZAZ-KRWDZBQOSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC001085614796 1091859512 /nfs/dbraw/zinc/85/95/12/1091859512.db2.gz WPPTXYMGIPTYET-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2ccccc2nc1C ZINC001085625743 1091861142 /nfs/dbraw/zinc/86/11/42/1091861142.db2.gz YICCYZNYCHWSLL-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1coc2cc(F)ccc12 ZINC001085681560 1091880069 /nfs/dbraw/zinc/88/00/69/1091880069.db2.gz AHZUPHNHWQWSCY-CQSZACIVSA-N 0 3 316.376 3.294 20 30 DGEDHN CCCN(CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207192888 1091883652 /nfs/dbraw/zinc/88/36/52/1091883652.db2.gz IMLDRUPJKRLGPJ-UHFFFAOYSA-N 0 3 309.454 3.259 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1CC ZINC001085696340 1091884247 /nfs/dbraw/zinc/88/42/47/1091884247.db2.gz HKATYCOBQOVWQB-MRXNPFEDSA-N 0 3 304.409 3.111 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cccc2)cc1 ZINC001085704029 1091888869 /nfs/dbraw/zinc/88/88/69/1091888869.db2.gz FTJYAVVGWYSSMP-LJQANCHMSA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709191 1091890642 /nfs/dbraw/zinc/89/06/42/1091890642.db2.gz BFAVIBMATDASAA-INIZCTEOSA-N 0 3 304.434 3.317 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC001085706728 1091894001 /nfs/dbraw/zinc/89/40/01/1091894001.db2.gz VOLBFHUVSBCEKC-IBGZPJMESA-N 0 3 323.440 3.200 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207232451 1091894895 /nfs/dbraw/zinc/89/48/95/1091894895.db2.gz LEVPPIDGQMDKIK-AWEZNQCLSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1F ZINC001085707244 1091895218 /nfs/dbraw/zinc/89/52/18/1091895218.db2.gz HDBROBXCXXBVLA-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001085749117 1091911489 /nfs/dbraw/zinc/91/14/89/1091911489.db2.gz YVFLDMZEBGCQIU-MRXNPFEDSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001085756811 1091916245 /nfs/dbraw/zinc/91/62/45/1091916245.db2.gz QYQDWDRHSYEPIT-MRXNPFEDSA-N 0 3 311.429 3.199 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207375797 1091944016 /nfs/dbraw/zinc/94/40/16/1091944016.db2.gz PAQDMHOYUZSAPD-LVQVYYBASA-N 0 3 319.449 3.152 20 30 DGEDHN CCC(CC)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207374509 1091944710 /nfs/dbraw/zinc/94/47/10/1091944710.db2.gz RPIFDPPAGCNNPN-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1Cl ZINC001085833643 1091963900 /nfs/dbraw/zinc/96/39/00/1091963900.db2.gz PALSLGLEPZJGML-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001085865699 1091991088 /nfs/dbraw/zinc/99/10/88/1091991088.db2.gz LBMWLZSAAFCSLF-BZUAXINKSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cc(OC)c1 ZINC001085889191 1091996527 /nfs/dbraw/zinc/99/65/27/1091996527.db2.gz SVJVGUIPGSRFRF-OAHLLOKOSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccn1C1CCCC1 ZINC001085895116 1092000442 /nfs/dbraw/zinc/00/04/42/1092000442.db2.gz URBHLUWCMXRYKY-KRWDZBQOSA-N 0 3 315.461 3.326 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccoc1CCC ZINC001085925661 1092015610 /nfs/dbraw/zinc/01/56/10/1092015610.db2.gz BGOUVSLFOIVUPE-HNNXBMFYSA-N 0 3 304.434 3.345 20 30 DGEDHN N#Cc1cccc(N2CCN(CCCc3cccc(F)c3)CC2)c1 ZINC001207604758 1092040134 /nfs/dbraw/zinc/04/01/34/1092040134.db2.gz YWZFWZYDJZQPLX-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085951534 1092041672 /nfs/dbraw/zinc/04/16/72/1092041672.db2.gz IBOKHUTYPRVRJW-KRWDZBQOSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391285 1092110570 /nfs/dbraw/zinc/11/05/70/1092110570.db2.gz GKHAKEOOUJOCFI-CVEARBPZSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391285 1092110575 /nfs/dbraw/zinc/11/05/75/1092110575.db2.gz GKHAKEOOUJOCFI-CVEARBPZSA-N 0 3 316.445 3.331 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001086090986 1092129311 /nfs/dbraw/zinc/12/93/11/1092129311.db2.gz BPHOHLGLWCXWFW-BYNSBNAKSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001086215608 1092167463 /nfs/dbraw/zinc/16/74/63/1092167463.db2.gz UHYWIVBEECSJMF-JGZJWPJOSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccccc2CC)C1 ZINC001086179987 1092153884 /nfs/dbraw/zinc/15/38/84/1092153884.db2.gz YCVDARGBBUHARO-OTVXOJSOSA-N 0 3 306.837 3.100 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001086240145 1092175380 /nfs/dbraw/zinc/17/53/80/1092175380.db2.gz QURAVSLPEXJPPI-DRPJVOAASA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001086253738 1092178620 /nfs/dbraw/zinc/17/86/20/1092178620.db2.gz SYORVXBIOKRCAN-BETUJISGSA-N 0 3 310.825 3.001 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001086253414 1092181052 /nfs/dbraw/zinc/18/10/52/1092181052.db2.gz FXCBBRBSWZAFLA-BJHJDKERSA-N 0 3 324.877 3.476 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001086265405 1092183355 /nfs/dbraw/zinc/18/33/55/1092183355.db2.gz DMEMNDZZDCCOKA-FZNQNYSPSA-N 0 3 306.837 3.100 20 30 DGEDHN CCC(CC)CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491622877 1092190908 /nfs/dbraw/zinc/19/09/08/1092190908.db2.gz CSGLEXNKFDVONI-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(Cl)sc1Cl ZINC001273419873 1092205134 /nfs/dbraw/zinc/20/51/34/1092205134.db2.gz IEDBKWKXVBBVSB-UHFFFAOYSA-N 0 3 319.257 3.130 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001491745023 1092218306 /nfs/dbraw/zinc/21/83/06/1092218306.db2.gz WKFCCLBAACFROC-ZDUSSCGKSA-N 0 3 324.877 3.286 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(CCCCOC)CC2)CC1 ZINC001208178514 1092244584 /nfs/dbraw/zinc/24/45/84/1092244584.db2.gz HWEYJMBNJGLHIY-LJQANCHMSA-N 0 3 306.494 3.333 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NC[C@@H](F)CC)C1 ZINC001208202563 1092263150 /nfs/dbraw/zinc/26/31/50/1092263150.db2.gz HVRIRQFCLMINLA-STQMWFEESA-N 0 3 304.837 3.094 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2CCc2ccc(Cl)cc2)C1=O ZINC001273432567 1092263430 /nfs/dbraw/zinc/26/34/30/1092263430.db2.gz WHBSUTJNNIIQRM-GOSISDBHSA-N 0 3 318.848 3.135 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208259117 1092296888 /nfs/dbraw/zinc/29/68/88/1092296888.db2.gz YVTNGSQSJOZZGG-GFCCVEGCSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CC1(CC(=O)N2CCC[C@H](N(C)CC#CC)C2)CCCCC1 ZINC001491954999 1092322792 /nfs/dbraw/zinc/32/27/92/1092322792.db2.gz OUDHHUPGDIVOFH-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC001491959619 1092325560 /nfs/dbraw/zinc/32/55/60/1092325560.db2.gz NPIMABWGURAYQL-MRXNPFEDSA-N 0 3 320.383 3.184 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001208455119 1092359603 /nfs/dbraw/zinc/35/96/03/1092359603.db2.gz CAEHDSUYTNVHSS-CZUORRHYSA-N 0 3 306.475 3.349 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001492058727 1092364552 /nfs/dbraw/zinc/36/45/52/1092364552.db2.gz QWUNKRQGPFXFQG-WBMJQRKESA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1cccs1 ZINC001492083307 1092398591 /nfs/dbraw/zinc/39/85/91/1092398591.db2.gz JYEOGNDDKSBGPV-NEPJUHHUSA-N 0 3 300.855 3.089 20 30 DGEDHN CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C#CC(C)(C)C ZINC001492249721 1092457768 /nfs/dbraw/zinc/45/77/68/1092457768.db2.gz IBRUAMICVTWMMV-KRWDZBQOSA-N 0 3 318.436 3.374 20 30 DGEDHN CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001169070847 1092520990 /nfs/dbraw/zinc/52/09/90/1092520990.db2.gz ULGONPJIGLIMNY-IRXDYDNUSA-N 0 3 306.450 3.154 20 30 DGEDHN C=CCN1CCN(CCCc2ccccc2C(F)(F)F)CC1 ZINC001208828093 1092530582 /nfs/dbraw/zinc/53/05/82/1092530582.db2.gz XIYSKIPQDCIRQR-UHFFFAOYSA-N 0 3 312.379 3.442 20 30 DGEDHN N#Cc1ccc(CCCN2CCN(c3cccc(O)c3)CC2)cc1 ZINC001208863777 1092550978 /nfs/dbraw/zinc/55/09/78/1092550978.db2.gz FBTGLGUDBILGRC-UHFFFAOYSA-N 0 3 321.424 3.019 20 30 DGEDHN C#CC(C)(C)N(C)CCOc1cc(F)cc(Br)c1 ZINC001169243643 1092613753 /nfs/dbraw/zinc/61/37/53/1092613753.db2.gz RWALUMCTZVRVGK-UHFFFAOYSA-N 0 3 314.198 3.311 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C(C)(C)C1 ZINC001276609731 1092628020 /nfs/dbraw/zinc/62/80/20/1092628020.db2.gz YBOAOTORTUEVNP-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001169289430 1092630946 /nfs/dbraw/zinc/63/09/46/1092630946.db2.gz VCJUBIAYHUPEJN-ZDUSSCGKSA-N 0 3 310.825 3.023 20 30 DGEDHN CCC(CC)(CC)C(=O)NCCCNCc1ccccc1C#N ZINC001169314081 1092633413 /nfs/dbraw/zinc/63/34/13/1092633413.db2.gz PMWRRFMKWRJARK-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN Cc1ccc(CN2CCC(Cc3ccc(C#N)cc3)CC2)c(N)n1 ZINC001143203720 1092633788 /nfs/dbraw/zinc/63/37/88/1092633788.db2.gz NTIBPGWRMKHGJU-UHFFFAOYSA-N 0 3 320.440 3.299 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001209125234 1092663436 /nfs/dbraw/zinc/66/34/36/1092663436.db2.gz JOBRLYUQZXLOJH-KBAYOESNSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001209193652 1092689472 /nfs/dbraw/zinc/68/94/72/1092689472.db2.gz JPLOILJMJGMHKV-IRXDYDNUSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCOC[C@@H]1CCC[C@@]12CN(CCc1cccs1)CCO2 ZINC001209225361 1092704295 /nfs/dbraw/zinc/70/42/95/1092704295.db2.gz PKDDEGKLMJTKSO-FUHWJXTLSA-N 0 3 321.486 3.364 20 30 DGEDHN CCC(C)(C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209335738 1092738136 /nfs/dbraw/zinc/73/81/36/1092738136.db2.gz PXHINXFNXOVSMA-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCCCCCN1CCN(c2cc(C)nc(C)n2)CC1 ZINC001209435799 1092772594 /nfs/dbraw/zinc/77/25/94/1092772594.db2.gz JRFBJHAUZQTVSI-UHFFFAOYSA-N 0 3 302.466 3.352 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)CCCCCC)C1 ZINC001150461672 1092783851 /nfs/dbraw/zinc/78/38/51/1092783851.db2.gz GZWLCPAHGYESCH-ZWKOTPCHSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001150744606 1092816003 /nfs/dbraw/zinc/81/60/03/1092816003.db2.gz IAIYFSVRDPDKQZ-ROUUACIJSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H](C)CC(C)C)CC1 ZINC001151374797 1092890081 /nfs/dbraw/zinc/89/00/81/1092890081.db2.gz NQQOXFDSCWWBBT-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001210226630 1093085372 /nfs/dbraw/zinc/08/53/72/1093085372.db2.gz SEUXLDJCOGCXMT-NZSAHSFTSA-N 0 3 314.473 3.439 20 30 DGEDHN C[C@@H]1CC(=O)C=C(Nc2ccc(F)cc2OCCN(C)C)C1 ZINC001210777934 1093280652 /nfs/dbraw/zinc/28/06/52/1093280652.db2.gz PCYAEPBNFWWHMU-LBPRGKRZSA-N 0 3 306.381 3.061 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC=C)C[C@H]1C ZINC001211218421 1093424681 /nfs/dbraw/zinc/42/46/81/1093424681.db2.gz VJFXLKHGPKXREG-NZSAHSFTSA-N 0 3 312.457 3.044 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001211267197 1093439369 /nfs/dbraw/zinc/43/93/69/1093439369.db2.gz AMDHJCVYSIZLBH-KRWDZBQOSA-N 0 3 315.461 3.087 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2cc(C)sc2C)C1 ZINC001211403393 1093482906 /nfs/dbraw/zinc/48/29/06/1093482906.db2.gz RUUNMJAEWYZYMA-CXAGYDPISA-N 0 3 320.502 3.310 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213319752 1093565744 /nfs/dbraw/zinc/56/57/44/1093565744.db2.gz AXCFVEYGKOIZTF-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@H](OC)C1 ZINC001213897871 1093677580 /nfs/dbraw/zinc/67/75/80/1093677580.db2.gz OECKMBRKNCDAON-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)[C@H](OC)C1 ZINC001213953553 1093685638 /nfs/dbraw/zinc/68/56/38/1093685638.db2.gz KIBUASNYNQFGJS-RCCFBDPRSA-N 0 3 324.509 3.230 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214148428 1093722185 /nfs/dbraw/zinc/72/21/85/1093722185.db2.gz RBSXUZBTYWTLQQ-IEBWSBKVSA-N 0 3 312.457 3.055 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](NCC(C)(C)C#N)C[C@@H]2C1 ZINC000400982182 1093930854 /nfs/dbraw/zinc/93/08/54/1093930854.db2.gz WCECEHIGQYVPAE-RBSFLKMASA-N 0 3 321.465 3.161 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCC(C)(C)C#N)C[C@@H]2C1 ZINC000400982184 1093930904 /nfs/dbraw/zinc/93/09/04/1093930904.db2.gz WCECEHIGQYVPAE-RRFJBIMHSA-N 0 3 321.465 3.161 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215376734 1093971589 /nfs/dbraw/zinc/97/15/89/1093971589.db2.gz RRZOTEPECSFPJL-WSTZPKSXSA-N 0 3 324.468 3.077 20 30 DGEDHN CN(C)Cc1cccc(-n2cc(C#N)c3cc(N)ccc32)c1F ZINC001216232390 1094154197 /nfs/dbraw/zinc/15/41/97/1094154197.db2.gz IBZBPJGTOXFFJP-UHFFFAOYSA-N 0 3 308.360 3.285 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCC#N)cc1 ZINC000404678311 1094264765 /nfs/dbraw/zinc/26/47/65/1094264765.db2.gz IKBVMMKVTNFDMV-ZDUSSCGKSA-N 0 3 309.344 3.451 20 30 DGEDHN Cc1cnc2ccccc2c1N1CCC2(CC1)CC(=O)C=CO2 ZINC001119981071 1094332065 /nfs/dbraw/zinc/33/20/65/1094332065.db2.gz TWADHEYJKMEIQL-UHFFFAOYSA-N 0 3 308.381 3.385 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]([C@@H]3CCCN3CCF)C2)CCC1 ZINC001120429938 1094428611 /nfs/dbraw/zinc/42/86/11/1094428611.db2.gz FHXFNIAQWVXFIO-IRXDYDNUSA-N 0 3 322.468 3.405 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1conc1CC ZINC001135180665 1094430261 /nfs/dbraw/zinc/43/02/61/1094430261.db2.gz IYOVTMJYERELAV-UONOGXRCSA-N 0 3 321.465 3.212 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135181787 1094432460 /nfs/dbraw/zinc/43/24/60/1094432460.db2.gz VFRTYVHDMALXOR-STQMWFEESA-N 0 3 321.465 3.267 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001135234592 1094453523 /nfs/dbraw/zinc/45/35/23/1094453523.db2.gz BQAXYDVXHWRVGK-NWDGAFQWSA-N 0 3 323.506 3.345 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC001135235803 1094454970 /nfs/dbraw/zinc/45/49/70/1094454970.db2.gz NBFBLBNHOSGIJZ-OLZOCXBDSA-N 0 3 319.449 3.137 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135229769 1094459086 /nfs/dbraw/zinc/45/90/86/1094459086.db2.gz DGWPBZPEKXHMKE-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135330302 1094492780 /nfs/dbraw/zinc/49/27/80/1094492780.db2.gz NXORDNJQLNVMGK-CABCVRRESA-N 0 3 315.461 3.367 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001135357699 1094500446 /nfs/dbraw/zinc/50/04/46/1094500446.db2.gz GYUUENGBQVNYKW-OLZOCXBDSA-N 0 3 323.506 3.489 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001135358729 1094503425 /nfs/dbraw/zinc/50/34/25/1094503425.db2.gz XMTNOFJXRMWOOH-STQMWFEESA-N 0 3 323.506 3.489 20 30 DGEDHN C=C(C)CCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001120737349 1094508976 /nfs/dbraw/zinc/50/89/76/1094508976.db2.gz SAJXPHIHIZRAMO-UHFFFAOYSA-N 0 3 309.413 3.240 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2conc2C)CCC1 ZINC001135394282 1094514378 /nfs/dbraw/zinc/51/43/78/1094514378.db2.gz FIBCMOUWKFTDHN-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2cnc(C)o2)CCC1 ZINC001135395350 1094515527 /nfs/dbraw/zinc/51/55/27/1094515527.db2.gz PNDQYPLIENDWEZ-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NCc2conc2C)CC1 ZINC001135416426 1094528042 /nfs/dbraw/zinc/52/80/42/1094528042.db2.gz TYESQIRUKVPWPZ-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1conc1CC ZINC001135560926 1094576716 /nfs/dbraw/zinc/57/67/16/1094576716.db2.gz NHCDEHQBRDJXNJ-KGLIPLIRSA-N 0 3 321.465 3.212 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135562458 1094578208 /nfs/dbraw/zinc/57/82/08/1094578208.db2.gz ZWLUKFMRINOEAC-CHWSQXEVSA-N 0 3 323.506 3.427 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)NCCCNCc1ccccc1C#N ZINC001170829842 1094602337 /nfs/dbraw/zinc/60/23/37/1094602337.db2.gz SFGFEQMIHVMAQX-MRXNPFEDSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103401918 1094611015 /nfs/dbraw/zinc/61/10/15/1094611015.db2.gz SOJZCFFYPRPAQY-UNEWFSDZSA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001086783360 1094683141 /nfs/dbraw/zinc/68/31/41/1094683141.db2.gz VNNVZYHALNVUBZ-UONOGXRCSA-N 0 3 323.868 3.379 20 30 DGEDHN CCC(CC)(CC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001135826328 1094697594 /nfs/dbraw/zinc/69/75/94/1094697594.db2.gz PTSSMWZHEWNFBU-UHFFFAOYSA-N 0 3 307.463 3.042 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(CC)C1CCCC1 ZINC001121668367 1094740100 /nfs/dbraw/zinc/74/01/00/1094740100.db2.gz ZRQXYXBWGDPGKB-OAHLLOKOSA-N 0 3 317.481 3.042 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(C)(C)C(F)F)C2 ZINC001121747401 1094763403 /nfs/dbraw/zinc/76/34/03/1094763403.db2.gz OGCPYWTTXZTFQA-UHFFFAOYSA-N 0 3 320.811 3.047 20 30 DGEDHN N#Cc1ccc(Cl)c(Cl)c1O[C@@H]1CNCCC1(F)F ZINC001218453617 1094785912 /nfs/dbraw/zinc/78/59/12/1094785912.db2.gz YTJRAZWOMNELQD-SECBINFHSA-N 0 3 307.127 3.241 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(COCC2CC2)c1 ZINC001121858870 1094796603 /nfs/dbraw/zinc/79/66/03/1094796603.db2.gz XWGAPEFADZWHEN-QGZVFWFLSA-N 0 3 302.418 3.235 20 30 DGEDHN N#Cc1ccc2c(cccc2O[C@H]2CNCc3ccccc32)n1 ZINC001218486166 1094810350 /nfs/dbraw/zinc/81/03/50/1094810350.db2.gz HPHOMNNSDMJMMR-IBGZPJMESA-N 0 3 301.349 3.330 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001121882550 1094811954 /nfs/dbraw/zinc/81/19/54/1094811954.db2.gz JCZUQONAVGJIMG-UNEWFSDZSA-N 0 3 304.409 3.214 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1C ZINC001104001570 1094833496 /nfs/dbraw/zinc/83/34/96/1094833496.db2.gz WEYPZXWEOVBCKE-AQGQNPDFSA-N 0 3 312.885 3.415 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC001121947598 1094839662 /nfs/dbraw/zinc/83/96/62/1094839662.db2.gz POMMPRKASDKHSO-NWDGAFQWSA-N 0 3 303.431 3.157 20 30 DGEDHN Cc1cnc(C(=O)C(C#N)c2nc3ccccc3n2C)c(C)c1 ZINC001122007288 1094866147 /nfs/dbraw/zinc/86/61/47/1094866147.db2.gz CNQZMZGKRXIABC-CYBMUJFWSA-N 0 3 304.353 3.075 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC001122218740 1094927805 /nfs/dbraw/zinc/92/78/05/1094927805.db2.gz WAXWUSWNEBGWND-SJORKVTESA-N 0 3 318.486 3.377 20 30 DGEDHN C#CCCCCCC(=O)N[C@]12CCC[C@H]1CN(C[C@@H](F)CC)C2 ZINC001111833626 1094980907 /nfs/dbraw/zinc/98/09/07/1094980907.db2.gz AIQNPKDAJZBBGD-LNLFQRSKSA-N 0 3 322.468 3.289 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2=CCCCCC2)[C@@H](O)C1 ZINC001219513087 1094984447 /nfs/dbraw/zinc/98/44/47/1094984447.db2.gz JTJZWHQBSXQWBJ-MSOLQXFVSA-N 0 3 322.493 3.009 20 30 DGEDHN CC(C)C1(C(=O)C(C#N)c2nc3ccccc3s2)COC1 ZINC001122481656 1094985228 /nfs/dbraw/zinc/98/52/28/1094985228.db2.gz BMLFZLYUKLJQJA-LLVKDONJSA-N 0 3 300.383 3.145 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001111894590 1095006052 /nfs/dbraw/zinc/00/60/52/1095006052.db2.gz KVRBPQFCYJYRLS-GJYPPUQNSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001111936786 1095017565 /nfs/dbraw/zinc/01/75/65/1095017565.db2.gz XMZXVISLOKOGGH-LMNJBCLMSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCc1cc2ccccc2n1C ZINC001219935075 1095036309 /nfs/dbraw/zinc/03/63/09/1095036309.db2.gz ZVWQBJFBKIMXHE-KRWDZBQOSA-N 0 3 313.445 3.258 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112143375 1095036384 /nfs/dbraw/zinc/03/63/84/1095036384.db2.gz VHJUIHHHCKSUBZ-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CN(CC)c1nnc([C@H]2CCCN(C)C2)n1CC(C)C ZINC001122759267 1095060891 /nfs/dbraw/zinc/06/08/91/1095060891.db2.gz OCHNLCJZICINBO-INIZCTEOSA-N 0 3 319.497 3.146 20 30 DGEDHN C=CCCCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220484748 1095104482 /nfs/dbraw/zinc/10/44/82/1095104482.db2.gz SAJVXGFRRUTHDQ-IBGZPJMESA-N 0 3 308.425 3.306 20 30 DGEDHN CC[C@H](F)C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001123142082 1095171704 /nfs/dbraw/zinc/17/17/04/1095171704.db2.gz UWIZZNQQUXGTJO-INIZCTEOSA-N 0 3 318.392 3.084 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CCCCCC)[C@@H](O)C1 ZINC001220897617 1095171790 /nfs/dbraw/zinc/17/17/90/1095171790.db2.gz SQQLMLOFJPJTER-SJORKVTESA-N 0 3 312.498 3.089 20 30 DGEDHN CCc1cc(C(=O)C(C#N)c2nccn2CC)cc(Cl)n1 ZINC001123234027 1095197088 /nfs/dbraw/zinc/19/70/88/1095197088.db2.gz QNQNRWJZEDVHTF-LBPRGKRZSA-N 0 3 302.765 3.004 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001123234428 1095197198 /nfs/dbraw/zinc/19/71/98/1095197198.db2.gz VDADNHSNWNDGIG-FRRDWIJNSA-N 0 3 305.809 3.466 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221121212 1095202806 /nfs/dbraw/zinc/20/28/06/1095202806.db2.gz XDGSXQGMFXDTJZ-ZIFCJYIRSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001221162152 1095209003 /nfs/dbraw/zinc/20/90/03/1095209003.db2.gz NRSLXFPMBGGWRA-KBPBESRZSA-N 0 3 302.409 3.392 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2c(C)noc2C)CCCCC1 ZINC001115441537 1095221404 /nfs/dbraw/zinc/22/14/04/1095221404.db2.gz JTGMFLXOPHHLOS-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)[C@H](C)SC)[C@@H]2C1 ZINC001221296672 1095238132 /nfs/dbraw/zinc/23/81/32/1095238132.db2.gz WOELEBSJKBRDMA-ARFHVFGLSA-N 0 3 310.507 3.017 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2CC(F)(F)C2)CCCCC1 ZINC001115475093 1095239444 /nfs/dbraw/zinc/23/94/44/1095239444.db2.gz ZISWXDZHUKIPPS-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1cccc(F)c1 ZINC001123337642 1095245916 /nfs/dbraw/zinc/24/59/16/1095245916.db2.gz SAAXQNLXPZSSLF-HNNXBMFYSA-N 0 3 315.348 3.078 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](CC)SC)CCCCC1 ZINC001115483989 1095245820 /nfs/dbraw/zinc/24/58/20/1095245820.db2.gz CRLLGCZDWFUWSJ-CYBMUJFWSA-N 0 3 318.914 3.289 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC001123337494 1095246188 /nfs/dbraw/zinc/24/61/88/1095246188.db2.gz RTWWEPZATGSURN-MRXNPFEDSA-N 0 3 323.396 3.359 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccccc1C(F)(F)F ZINC001123337527 1095246534 /nfs/dbraw/zinc/24/65/34/1095246534.db2.gz CEIXYMGKRIOKKL-LBPRGKRZSA-N 0 3 321.302 3.341 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001123336816 1095246816 /nfs/dbraw/zinc/24/68/16/1095246816.db2.gz LFGYRKYGTZDACO-GVDBMIGSSA-N 0 3 307.397 3.500 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCC(C)C)C[C@@H]2C1 ZINC001276821668 1095252133 /nfs/dbraw/zinc/25/21/33/1095252133.db2.gz UKZSHPJRLOAWMU-ARFHVFGLSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCC(C)C)C[C@H]2C1 ZINC001276821672 1095252856 /nfs/dbraw/zinc/25/28/56/1095252856.db2.gz UKZSHPJRLOAWMU-JYJNAYRXSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2C=CC=CC=C2)CCCCC1 ZINC001115557306 1095277182 /nfs/dbraw/zinc/27/71/82/1095277182.db2.gz GKZBKILIOCFQRB-UHFFFAOYSA-N 0 3 320.864 3.446 20 30 DGEDHN C=CC(C)(C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001221495621 1095284633 /nfs/dbraw/zinc/28/46/33/1095284633.db2.gz OFLWGXGCKJCLHY-UHFFFAOYSA-N 0 3 315.461 3.087 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001221492855 1095284829 /nfs/dbraw/zinc/28/48/29/1095284829.db2.gz KVFJURPFBJABIR-MISYRCLQSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)C(C)(F)F)CCCCC1 ZINC001115734441 1095356521 /nfs/dbraw/zinc/35/65/21/1095356521.db2.gz NHULLOVBKDTQLE-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221832716 1095368495 /nfs/dbraw/zinc/36/84/95/1095368495.db2.gz ALNVAWYFJYIBHH-GVDBMIGSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CC[C@@H](C)C(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001144019355 1095476621 /nfs/dbraw/zinc/47/66/21/1095476621.db2.gz BZXXYAZMCAPKRA-OAHLLOKOSA-N 0 3 318.436 3.461 20 30 DGEDHN N#Cc1cncc(CN2CCC3(CCc4ccccc43)CC2)c1 ZINC001144074303 1095497811 /nfs/dbraw/zinc/49/78/11/1095497811.db2.gz HAAJLFHPLKGCCJ-UHFFFAOYSA-N 0 3 303.409 3.433 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)CCCC)C[C@@H]21 ZINC001222295319 1095535938 /nfs/dbraw/zinc/53/59/38/1095535938.db2.gz JJJDZNISIYWKBP-KSZLIROESA-N 0 3 304.478 3.149 20 30 DGEDHN COc1cccc([C@H]2CCCN(Cc3ccc(C#N)cn3)C2)c1 ZINC001144166809 1095544572 /nfs/dbraw/zinc/54/45/72/1095544572.db2.gz XEHBBZGSTVWKQI-KRWDZBQOSA-N 0 3 307.397 3.341 20 30 DGEDHN COCCN(C)Cc1ccnc(-c2c(C)cc(C#N)cc2C)c1 ZINC001222648486 1095707935 /nfs/dbraw/zinc/70/79/35/1095707935.db2.gz GBEFPXVRHJDELO-UHFFFAOYSA-N 0 3 309.413 3.315 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccn(CC(F)(F)F)n1 ZINC001171198361 1095708231 /nfs/dbraw/zinc/70/82/31/1095708231.db2.gz KZUIQGXNSVLPOQ-GFCCVEGCSA-N 0 3 322.334 3.038 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3ccc(F)cn3)CC2)cc1 ZINC001144581316 1095717193 /nfs/dbraw/zinc/71/71/93/1095717193.db2.gz PKLVQNHYQRIMCX-UHFFFAOYSA-N 0 3 310.372 3.245 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC001171203540 1095746900 /nfs/dbraw/zinc/74/69/00/1095746900.db2.gz NVRMWLZCDCOJNL-INIZCTEOSA-N 0 3 323.415 3.451 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(C)c(Cl)c1 ZINC001202813961 1095816626 /nfs/dbraw/zinc/81/66/26/1095816626.db2.gz PITJLEKZRHUNGX-AWEZNQCLSA-N 0 3 307.825 3.420 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001091251351 1095853556 /nfs/dbraw/zinc/85/35/56/1095853556.db2.gz DCOQPAAEJKCORX-UHFFFAOYSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(-c2ccccc2C)nn1C ZINC001340117158 1095869340 /nfs/dbraw/zinc/86/93/40/1095869340.db2.gz SWFKCKOWWKZNMU-OAHLLOKOSA-N 0 3 312.417 3.018 20 30 DGEDHN C=C(C)CCC(=O)NCC1CCN(Cc2ncccc2C)CC1 ZINC001223353334 1095947815 /nfs/dbraw/zinc/94/78/15/1095947815.db2.gz ONSYMIFITFXKEF-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN Cc1ccccc1N1CC[C@H]2[C@@H]1CCN2Cc1cc(C#N)n(C)c1 ZINC001276895839 1095987928 /nfs/dbraw/zinc/98/79/28/1095987928.db2.gz CPKIFWUEDIHVIP-PMACEKPBSA-N 0 3 320.440 3.058 20 30 DGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCCC2)[C@@H](n2cncn2)C1 ZINC001118431372 1096008770 /nfs/dbraw/zinc/00/87/70/1096008770.db2.gz RZXQYEIYCPLPME-PMPSAXMXSA-N 0 3 301.438 3.071 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC001340715831 1096015450 /nfs/dbraw/zinc/01/54/50/1096015450.db2.gz DRWRTBZNCHNONP-COXVUDFISA-N 0 3 304.409 3.419 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1CC(F)(F)F ZINC001340734323 1096019954 /nfs/dbraw/zinc/01/99/54/1096019954.db2.gz HKFZVDXZVJEGER-AWEZNQCLSA-N 0 3 314.351 3.091 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001276908016 1096023133 /nfs/dbraw/zinc/02/31/33/1096023133.db2.gz AOVXLSAOVKEHDR-DGCLKSJQSA-N 0 3 312.360 3.376 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC001340843168 1096048649 /nfs/dbraw/zinc/04/86/49/1096048649.db2.gz KCWMTWCARHUFNY-QGZVFWFLSA-N 0 3 302.418 3.203 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@](C)(CC)CCC)C[C@@H]21 ZINC001223764236 1096057596 /nfs/dbraw/zinc/05/75/96/1096057596.db2.gz WGMZKWZXRRVPPQ-ZIFCJYIRSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001276923138 1096073492 /nfs/dbraw/zinc/07/34/92/1096073492.db2.gz GLUDPWVPTQVDQS-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN COc1cc(CNCc2ccc(OCC#N)cc2)ccc1F ZINC001341112499 1096117441 /nfs/dbraw/zinc/11/74/41/1096117441.db2.gz QBJZJIZYLZJLHS-UHFFFAOYSA-N 0 3 300.333 3.026 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224165796 1096149733 /nfs/dbraw/zinc/14/97/33/1096149733.db2.gz SXRPDJSQFFWGJK-QWHCGFSZSA-N 0 3 320.399 3.225 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CNCC2 ZINC001341336677 1096157101 /nfs/dbraw/zinc/15/71/01/1096157101.db2.gz HTMNPQJXPNPTGX-TZMCWYRMSA-N 0 3 304.459 3.259 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001119296611 1096157381 /nfs/dbraw/zinc/15/73/81/1096157381.db2.gz XZGKOUNNAXRKFY-VHSXEESVSA-N 0 3 315.870 3.088 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1cc(F)ccc1C)C2 ZINC001147159321 1096176000 /nfs/dbraw/zinc/17/60/00/1096176000.db2.gz QHKGVKDTUGZJFT-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1 ZINC001276960615 1096178535 /nfs/dbraw/zinc/17/85/35/1096178535.db2.gz OISPJGAHUXDOQH-FQEVSTJZSA-N 0 3 320.440 3.379 20 30 DGEDHN C=CCCC[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC001119483324 1096211679 /nfs/dbraw/zinc/21/16/79/1096211679.db2.gz QVCUVBPWOQSCSX-ZACQAIPSSA-N 0 3 319.424 3.165 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCCC(F)F)c1 ZINC001119612761 1096233949 /nfs/dbraw/zinc/23/39/49/1096233949.db2.gz QSSPBBJJIUYEMU-UHFFFAOYSA-N 0 3 303.150 3.456 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001276981078 1096238667 /nfs/dbraw/zinc/23/86/67/1096238667.db2.gz ZHHIBCGEPAHCLX-BBRMVZONSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001276980543 1096239145 /nfs/dbraw/zinc/23/91/45/1096239145.db2.gz VAICDFODWBOEJU-INIZCTEOSA-N 0 3 312.457 3.254 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148128980 1096318567 /nfs/dbraw/zinc/31/85/67/1096318567.db2.gz CLLIOUUKZJMEJS-OAHLLOKOSA-N 0 3 318.486 3.385 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CC/C=C/c3ccccc3)C2)C1 ZINC001148298920 1096342808 /nfs/dbraw/zinc/34/28/08/1096342808.db2.gz XHUMPTDURZTTMF-YRNVUSSQSA-N 0 3 322.452 3.038 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CC/C=C\c3ccccc3)C2)C1 ZINC001148298919 1096343367 /nfs/dbraw/zinc/34/33/67/1096343367.db2.gz XHUMPTDURZTTMF-XFFZJAGNSA-N 0 3 322.452 3.038 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)CCCCCC)CC1 ZINC001225132299 1096351034 /nfs/dbraw/zinc/35/10/34/1096351034.db2.gz MQUCWKQXEFBGNY-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCCCC(C)C)C2)C1 ZINC001148390141 1096357322 /nfs/dbraw/zinc/35/73/22/1096357322.db2.gz CVAFOHOHWGFJLH-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC001225276022 1096381425 /nfs/dbraw/zinc/38/14/25/1096381425.db2.gz YXEXZYFPFYLHJR-IAGOWNOFSA-N 0 3 322.399 3.448 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1F ZINC001225276036 1096381766 /nfs/dbraw/zinc/38/17/66/1096381766.db2.gz ZERPFMUHQUNQMT-IAGOWNOFSA-N 0 3 322.399 3.448 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001225302283 1096389694 /nfs/dbraw/zinc/38/96/94/1096389694.db2.gz YQFPZBWRASOMCX-NWANDNLSSA-N 0 3 300.874 3.438 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC001225341355 1096400587 /nfs/dbraw/zinc/40/05/87/1096400587.db2.gz MPKDDMZIOYLQSH-IBGZPJMESA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](CC)c3ccccc3)C2)C1 ZINC001148598985 1096400759 /nfs/dbraw/zinc/40/07/59/1096400759.db2.gz IWLFXTFDJLTYPY-GOSISDBHSA-N 0 3 324.468 3.128 20 30 DGEDHN CCCCCCCCC(=O)NCCNCc1cnc(C)s1 ZINC001148722044 1096428940 /nfs/dbraw/zinc/42/89/40/1096428940.db2.gz WWNWSLQPJRDJER-UHFFFAOYSA-N 0 3 311.495 3.408 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C/C=C\c3ccc(C)cc3)C2)C1 ZINC001148951822 1096471119 /nfs/dbraw/zinc/47/11/19/1096471119.db2.gz WSSBJCPGKOHYGY-PLNGDYQASA-N 0 3 310.441 3.119 20 30 DGEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2C[C@@H](C)C(F)(F)F ZINC001273446604 1096482284 /nfs/dbraw/zinc/48/22/84/1096482284.db2.gz QLFAXJMISSUWGV-UKRRQHHQSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(F)cc2C)C1 ZINC001086858919 1096486440 /nfs/dbraw/zinc/48/64/40/1096486440.db2.gz CMODQXSWQYMYEQ-DZGCQCFKSA-N 0 3 324.827 3.375 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(C)s3)C2)CC1 ZINC001086898123 1096497451 /nfs/dbraw/zinc/49/74/51/1096497451.db2.gz AQZPSCYXEQEWRO-AWEZNQCLSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CCC(CNC(=O)CC2CCC(C)(C)CC2)CC1 ZINC001225711507 1096511159 /nfs/dbraw/zinc/51/11/59/1096511159.db2.gz GQGFQEWPXKROSQ-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1 ZINC001086943907 1096517764 /nfs/dbraw/zinc/51/77/64/1096517764.db2.gz IKGIOXWHFRXTQF-KZNAEPCWSA-N 0 3 316.489 3.005 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)C3CCCC3)C2)CC1 ZINC001086952105 1096520823 /nfs/dbraw/zinc/52/08/23/1096520823.db2.gz AGKINKJYJKTLFM-IRXDYDNUSA-N 0 3 316.489 3.149 20 30 DGEDHN CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110134336 1096619425 /nfs/dbraw/zinc/61/94/25/1096619425.db2.gz WWJCINSLJNLLRG-AABGKKOBSA-N 0 3 322.452 3.116 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)CC)CC1 ZINC001093376871 1096685799 /nfs/dbraw/zinc/68/57/99/1096685799.db2.gz OTSNGQIILNSUDQ-QGZVFWFLSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001093379676 1096687329 /nfs/dbraw/zinc/68/73/29/1096687329.db2.gz FYZLDRACALYXBO-AEFFLSMTSA-N 0 3 316.489 3.005 20 30 DGEDHN CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226640589 1096739182 /nfs/dbraw/zinc/73/91/82/1096739182.db2.gz OZKPZAZSADMARR-SUMWQHHRSA-N 0 3 317.408 3.017 20 30 DGEDHN CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226640582 1096739914 /nfs/dbraw/zinc/73/99/14/1096739914.db2.gz OZKPZAZSADMARR-CXAGYDPISA-N 0 3 317.408 3.017 20 30 DGEDHN N#Cc1cc(C#N)cc(O[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001226896211 1096808155 /nfs/dbraw/zinc/80/81/55/1096808155.db2.gz JNLJKDVQQQDDIW-LJQANCHMSA-N 0 3 317.392 3.473 20 30 DGEDHN Fc1cc2c(c(F)c1F)C[C@H](N1CCC(S)CC1)CC2 ZINC001171544455 1096912224 /nfs/dbraw/zinc/91/22/24/1096912224.db2.gz UUDNEYIDKVHJFB-SNVBAGLBSA-N 0 3 301.377 3.355 20 30 DGEDHN CN(CCC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001171523465 1096917804 /nfs/dbraw/zinc/91/78/04/1096917804.db2.gz PCXHIYIOJHSMCG-QGZVFWFLSA-N 0 3 313.445 3.422 20 30 DGEDHN Cc1cc(O[C@@H]2CCCN(Cc3ccccc3)C2)cnc1C#N ZINC001227346668 1096918602 /nfs/dbraw/zinc/91/86/02/1096918602.db2.gz MDGKDSWNAJXQEG-QGZVFWFLSA-N 0 3 307.397 3.305 20 30 DGEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CC(F)(C2CC2)C1 ZINC001277226241 1096963738 /nfs/dbraw/zinc/96/37/38/1096963738.db2.gz STMVMFPYDXMRMY-APWZRJJASA-N 0 3 322.468 3.382 20 30 DGEDHN CCCCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001171805172 1096982726 /nfs/dbraw/zinc/98/27/26/1096982726.db2.gz PKERUKGLVFICCQ-UHFFFAOYSA-N 0 3 323.444 3.261 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CC(CC#N)C2)CC12CCC2 ZINC001171846259 1096990962 /nfs/dbraw/zinc/99/09/62/1096990962.db2.gz ULLORZOWBZQNNJ-HNNXBMFYSA-N 0 3 319.449 3.154 20 30 DGEDHN CCCN(CCC#N)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171895287 1096997366 /nfs/dbraw/zinc/99/73/66/1096997366.db2.gz PKNVXJHOBHCYPD-SFHVURJKSA-N 0 3 313.445 3.307 20 30 DGEDHN C[C@@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172090230 1097041192 /nfs/dbraw/zinc/04/11/92/1097041192.db2.gz UILTUICYSVQMMK-XQLPTFJDSA-N 0 3 307.438 3.199 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228123752 1097055514 /nfs/dbraw/zinc/05/55/14/1097055514.db2.gz RCPAZKXFCORYDO-KBAYOESNSA-N 0 3 315.461 3.201 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CCCF)CC2)C1 ZINC001277274180 1097058482 /nfs/dbraw/zinc/05/84/82/1097058482.db2.gz JDLFMASTSBVNCD-OAHLLOKOSA-N 0 3 316.848 3.049 20 30 DGEDHN N#Cc1c(F)cc(O[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001228220870 1097076965 /nfs/dbraw/zinc/07/69/65/1097076965.db2.gz IXSQUMKXOUNYKI-AWEZNQCLSA-N 0 3 314.335 3.490 20 30 DGEDHN COC(=O)C1(c2ccc(Cl)cc2)CCC(NCCC#N)CC1 ZINC001172207711 1097077135 /nfs/dbraw/zinc/07/71/35/1097077135.db2.gz JBJYFXBUUUHTII-UHFFFAOYSA-N 0 3 320.820 3.197 20 30 DGEDHN C=CCc1cc(OC)c(O[C@@H]2CCCN(CC)C2)c(OC)c1 ZINC001228427188 1097119090 /nfs/dbraw/zinc/11/90/90/1097119090.db2.gz CKTAJNOFTRPBQS-OAHLLOKOSA-N 0 3 305.418 3.295 20 30 DGEDHN C[C@@H](CCCC#N)NCC(=O)c1ccc(Br)cc1 ZINC001172477152 1097148917 /nfs/dbraw/zinc/14/89/17/1097148917.db2.gz WFDXUABESCZAJW-NSHDSACASA-N 0 3 309.207 3.304 20 30 DGEDHN C[C@@H](CCCC#N)N1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001172497151 1097170968 /nfs/dbraw/zinc/17/09/68/1097170968.db2.gz YVBIHKLCAAVPNB-AWEZNQCLSA-N 0 3 307.438 3.154 20 30 DGEDHN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)CCCC#N ZINC001172507025 1097174140 /nfs/dbraw/zinc/17/41/40/1097174140.db2.gz NSRVYGIAQUZWIN-HUUCEWRRSA-N 0 3 309.454 3.400 20 30 DGEDHN C[C@@H](CCCC#N)N1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001172510158 1097174970 /nfs/dbraw/zinc/17/49/70/1097174970.db2.gz WKFGGVXLNXMMKG-LSDHHAIUSA-N 0 3 317.408 3.102 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001203341491 1097240942 /nfs/dbraw/zinc/24/09/42/1097240942.db2.gz RJIVUOCWUXALOD-HUUCEWRRSA-N 0 3 319.474 3.016 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001229035922 1097241719 /nfs/dbraw/zinc/24/17/19/1097241719.db2.gz IZERBUHISBBCRL-SFHVURJKSA-N 0 3 303.365 3.083 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccsc2)C[C@H]1C#N ZINC001172966501 1097294075 /nfs/dbraw/zinc/29/40/75/1097294075.db2.gz CFJNYPMLDBDWCQ-KBPBESRZSA-N 0 3 321.446 3.129 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001203342287 1097296989 /nfs/dbraw/zinc/29/69/89/1097296989.db2.gz ZGHIYPYAVXZRHM-GJZGRUSLSA-N 0 3 319.474 3.016 20 30 DGEDHN C[C@@H]1CC[C@@H](N2CCC[C@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173066453 1097316611 /nfs/dbraw/zinc/31/66/11/1097316611.db2.gz QEOZXEXYDLTKAA-OWCLPIDISA-N 0 3 321.465 3.400 20 30 DGEDHN CC/C(C)=C\C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001277397279 1097341713 /nfs/dbraw/zinc/34/17/13/1097341713.db2.gz FWFKZDYDKCUVTM-ZCXUNETKSA-N 0 3 324.468 3.317 20 30 DGEDHN CCN(CC)C[C@H](C)Oc1cccc2c1C(=O)C=C(C)C2=O ZINC001229914194 1097410763 /nfs/dbraw/zinc/41/07/63/1097410763.db2.gz NWMXNVFUKVZQCS-ZDUSSCGKSA-N 0 3 301.386 3.121 20 30 DGEDHN N#CCC1CCC(NCc2nc(Br)cs2)CC1 ZINC001173333883 1097420155 /nfs/dbraw/zinc/42/01/55/1097420155.db2.gz RSZHQDXJQRSCDS-UHFFFAOYSA-N 0 3 314.252 3.468 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001491554471 1097437138 /nfs/dbraw/zinc/43/71/38/1097437138.db2.gz MDGYQWNIACMEPV-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CCCC1)C2 ZINC001110170698 1097455434 /nfs/dbraw/zinc/45/54/34/1097455434.db2.gz QXWDDMHHOFDCDV-SQNIBIBYSA-N 0 3 302.462 3.092 20 30 DGEDHN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccccc2CC#N)C1 ZINC001230275699 1097467683 /nfs/dbraw/zinc/46/76/83/1097467683.db2.gz FCBCUQUEROBJPH-NVXWUHKLSA-N 0 3 307.397 3.362 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001277457237 1097498229 /nfs/dbraw/zinc/49/82/29/1097498229.db2.gz DJIUHWPBKXMLFA-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cccnc1 ZINC001230619182 1097534422 /nfs/dbraw/zinc/53/44/22/1097534422.db2.gz KEBKVTOAEIKNOU-KRWDZBQOSA-N 0 3 303.450 3.198 20 30 DGEDHN C=CCCC(=O)NCCCN(CC[C@H](C)F)Cc1cccnc1 ZINC001230709342 1097561910 /nfs/dbraw/zinc/56/19/10/1097561910.db2.gz ARUYZDLFFWSAKX-INIZCTEOSA-N 0 3 321.440 3.104 20 30 DGEDHN C=CCCCC(=O)NCCCN(CCCF)Cc1cccnc1 ZINC001230829900 1097601377 /nfs/dbraw/zinc/60/13/77/1097601377.db2.gz QXHMNIPEFYKPCG-UHFFFAOYSA-N 0 3 321.440 3.106 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001277475220 1097634322 /nfs/dbraw/zinc/63/43/22/1097634322.db2.gz XHTZDCCLPPOPQH-IBGZPJMESA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001277475221 1097634487 /nfs/dbraw/zinc/63/44/87/1097634487.db2.gz XHTZDCCLPPOPQH-LJQANCHMSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001231059661 1097658073 /nfs/dbraw/zinc/65/80/73/1097658073.db2.gz AEPCDWZDPOGAST-ZWKOTPCHSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231095015 1097667937 /nfs/dbraw/zinc/66/79/37/1097667937.db2.gz MCSXRNZQXAQYBR-QZTJIDSGSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1Cc1c(C)cccc1C ZINC001231115480 1097671658 /nfs/dbraw/zinc/67/16/58/1097671658.db2.gz VLWVRGWKZRCZAC-QGZVFWFLSA-N 0 3 300.446 3.302 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCc1ccccc1C ZINC001231177061 1097689424 /nfs/dbraw/zinc/68/94/24/1097689424.db2.gz BXADCUCDNDZAAH-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN Cc1cc(NC2=CCCN(Cc3ccccc3)C2)cnc1C#N ZINC001174394509 1097689645 /nfs/dbraw/zinc/68/96/45/1097689645.db2.gz IZBFHROQHBXNIC-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN C=CCCCC(=O)N1CCC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001277495381 1097693526 /nfs/dbraw/zinc/69/35/26/1097693526.db2.gz BIPKQSSDVICBGB-INIZCTEOSA-N 0 3 310.457 3.405 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cc(C)on1 ZINC001231311471 1097718657 /nfs/dbraw/zinc/71/86/57/1097718657.db2.gz JKDAJAFEMKFXNI-QGZVFWFLSA-N 0 3 321.465 3.029 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccncc1F ZINC001231348677 1097726696 /nfs/dbraw/zinc/72/66/96/1097726696.db2.gz BHCRVWGUJXXWIV-OAHLLOKOSA-N 0 3 321.440 3.337 20 30 DGEDHN Cc1cnccc1Nc1c(C#N)cnn1-c1cccc(Cl)c1 ZINC001174536150 1097747400 /nfs/dbraw/zinc/74/74/00/1097747400.db2.gz IHZGZJLTQIYMJY-UHFFFAOYSA-N 0 3 309.760 3.266 20 30 DGEDHN C=CCOc1cccc(CN2CCC3(C[C@H](F)CO3)CC2)c1 ZINC001231624931 1097795011 /nfs/dbraw/zinc/79/50/11/1097795011.db2.gz HZYSZJACXPOYOI-INIZCTEOSA-N 0 3 305.393 3.344 20 30 DGEDHN C#Cc1cccc(CN(Cc2cccnc2)C2CCOCC2)c1 ZINC001231659093 1097807443 /nfs/dbraw/zinc/80/74/43/1097807443.db2.gz FKXDKBDMJWNKCE-UHFFFAOYSA-N 0 3 306.409 3.244 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2ccccc2C)CCC1 ZINC001174777374 1097834893 /nfs/dbraw/zinc/83/48/93/1097834893.db2.gz LQUUQENIFJAYTM-UHFFFAOYSA-N 0 3 320.864 3.265 20 30 DGEDHN C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)CCCF ZINC001174759014 1097842537 /nfs/dbraw/zinc/84/25/37/1097842537.db2.gz SRRIHOGEIWJKDP-HNNXBMFYSA-N 0 3 319.424 3.073 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001174832684 1097851801 /nfs/dbraw/zinc/85/18/01/1097851801.db2.gz DKRSBOVZJFZNKX-HOCLYGCPSA-N 0 3 321.465 3.350 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CCCCC1 ZINC001110178320 1097904099 /nfs/dbraw/zinc/90/40/99/1097904099.db2.gz YLAYGAKPIHJHHP-SQNIBIBYSA-N 0 3 314.473 3.258 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)nc(C)c1)C2 ZINC001231999794 1097911962 /nfs/dbraw/zinc/91/19/62/1097911962.db2.gz VPSOTWMQWJFWBY-RBUKOAKNSA-N 0 3 316.445 3.025 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001175082194 1097941721 /nfs/dbraw/zinc/94/17/21/1097941721.db2.gz MGPAGQZVZSRMDB-KDOFPFPSSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCCNCc2ocnc2C)C1 ZINC001175160475 1097951598 /nfs/dbraw/zinc/95/15/98/1097951598.db2.gz ZPXLDIRXQGXWOM-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN O=C1C=C2CN(Cc3cccn3Cc3ccccc3)CCC2S1 ZINC001232235300 1097978306 /nfs/dbraw/zinc/97/83/06/1097978306.db2.gz JOIWZUZEJCYPAI-SFHVURJKSA-N 0 3 324.449 3.311 20 30 DGEDHN Cc1nc(C#N)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505102 1098075720 /nfs/dbraw/zinc/07/57/20/1098075720.db2.gz OFWOKYGUJLICME-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN C#CC1CCN(Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001232601671 1098091977 /nfs/dbraw/zinc/09/19/77/1098091977.db2.gz BUFQLFIZUISZMN-UHFFFAOYSA-N 0 3 315.417 3.274 20 30 DGEDHN CCCC[C@@H](CC)CN1CCC12CN(c1ccc(C#N)cn1)C2 ZINC001277687378 1098092375 /nfs/dbraw/zinc/09/23/75/1098092375.db2.gz OZUHDVJBILOWCJ-MRXNPFEDSA-N 0 3 312.461 3.434 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232965304 1098185871 /nfs/dbraw/zinc/18/58/71/1098185871.db2.gz UVSULHSYXJJLCV-UHFFFAOYSA-N 0 3 320.440 3.309 20 30 DGEDHN Cc1cc(C#N)ccc1CN1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001233080013 1098220525 /nfs/dbraw/zinc/22/05/25/1098220525.db2.gz AVDSVMBDRZQSRV-OALUTQOASA-N 0 3 302.377 3.279 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@@H](c2ccccc2)C1 ZINC001233081360 1098222367 /nfs/dbraw/zinc/22/23/67/1098222367.db2.gz VISDNHJYNBTPNI-HXUWFJFHSA-N 0 3 305.425 3.355 20 30 DGEDHN C#C[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233109621 1098226193 /nfs/dbraw/zinc/22/61/93/1098226193.db2.gz DIJSYOGBDDTTCR-LBPRGKRZSA-N 0 3 308.219 3.308 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1sncc1C)C2 ZINC001233319716 1098286929 /nfs/dbraw/zinc/28/69/29/1098286929.db2.gz ZHHFXRHZGYYBGG-IAGOWNOFSA-N 0 3 322.474 3.025 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233530407 1098365265 /nfs/dbraw/zinc/36/52/65/1098365265.db2.gz SUCMFNUTPATUGL-INIZCTEOSA-N 0 3 305.466 3.440 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001233601286 1098386416 /nfs/dbraw/zinc/38/64/16/1098386416.db2.gz SHWPRIAYJCZJPZ-KRWDZBQOSA-N 0 3 321.440 3.337 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCCCO1 ZINC001233675478 1098404714 /nfs/dbraw/zinc/40/47/14/1098404714.db2.gz YVQJIZSLKKPBQN-ROUUACIJSA-N 0 3 324.509 3.449 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001176727790 1098413811 /nfs/dbraw/zinc/41/38/11/1098413811.db2.gz WQELAZQCQAUJGU-ZDUSSCGKSA-N 0 3 324.852 3.037 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001233760900 1098425133 /nfs/dbraw/zinc/42/51/33/1098425133.db2.gz DUBYSMDFLQHBCB-IBGZPJMESA-N 0 3 312.457 3.221 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001233780270 1098429657 /nfs/dbraw/zinc/42/96/57/1098429657.db2.gz JTSNTEXZXRITPD-IEBWSBKVSA-N 0 3 324.509 3.041 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2cnoc2C)CCCCC1 ZINC001176790277 1098431609 /nfs/dbraw/zinc/43/16/09/1098431609.db2.gz JTAVDLSFUPQBEK-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001233799797 1098433005 /nfs/dbraw/zinc/43/30/05/1098433005.db2.gz ASDKYDDFVCXMDH-MRXNPFEDSA-N 0 3 318.486 3.017 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001233800490 1098433280 /nfs/dbraw/zinc/43/32/80/1098433280.db2.gz GRKBSTCIXVDJDE-HNNXBMFYSA-N 0 3 321.465 3.354 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001233800206 1098433423 /nfs/dbraw/zinc/43/34/23/1098433423.db2.gz FAQHSVFHMZAEIJ-INIZCTEOSA-N 0 3 319.424 3.113 20 30 DGEDHN CCc1ccc2c(c1)CN(C[C@@H](O)c1cccc(C#N)c1)CC2 ZINC001177033377 1098464971 /nfs/dbraw/zinc/46/49/71/1098464971.db2.gz FLUIIDUJHDXTRN-HXUWFJFHSA-N 0 3 306.409 3.212 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001233948559 1098465127 /nfs/dbraw/zinc/46/51/27/1098465127.db2.gz YCVGUMQRXUMOLK-AZUAARDMSA-N 0 3 324.468 3.400 20 30 DGEDHN CN(CCCNC(=O)CC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC001233996922 1098473597 /nfs/dbraw/zinc/47/35/97/1098473597.db2.gz CZVFRJOUBUWVTQ-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1cc(C)sc1C ZINC001177179929 1098493075 /nfs/dbraw/zinc/49/30/75/1098493075.db2.gz WLPIJIASTAHCLL-UHFFFAOYSA-N 0 3 314.882 3.146 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCCC1CCCC1 ZINC001234118536 1098498357 /nfs/dbraw/zinc/49/83/57/1098498357.db2.gz JJCAIPHMVOZICT-SFHVURJKSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001277834218 1098502475 /nfs/dbraw/zinc/50/24/75/1098502475.db2.gz CTFSCMZSFARBGD-CYBMUJFWSA-N 0 3 319.474 3.159 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCC1CCCCC1 ZINC001234159904 1098507663 /nfs/dbraw/zinc/50/76/63/1098507663.db2.gz CSDRYPDWWKZWQN-GOSISDBHSA-N 0 3 304.478 3.149 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234345074 1098540731 /nfs/dbraw/zinc/54/07/31/1098540731.db2.gz GTAMQCGIHKDYIH-ROUUACIJSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001234425616 1098553317 /nfs/dbraw/zinc/55/33/17/1098553317.db2.gz ONIASJVEUYWZEW-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2oc(C)nc2C)CCCC1 ZINC001177548294 1098554790 /nfs/dbraw/zinc/55/47/90/1098554790.db2.gz UWVKQHHIVFWNQE-UHFFFAOYSA-N 0 3 319.449 3.024 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCCCCOC ZINC001234518617 1098578026 /nfs/dbraw/zinc/57/80/26/1098578026.db2.gz XGLKQTAINSEXJI-GOSISDBHSA-N 0 3 322.493 3.104 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C1(CC)CCC(F)(F)CC1 ZINC001277863018 1098579078 /nfs/dbraw/zinc/57/90/78/1098579078.db2.gz MLKPGFFTKGELAD-CQSZACIVSA-N 0 3 314.420 3.052 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CC[C@H](C)F ZINC001234554080 1098598004 /nfs/dbraw/zinc/59/80/04/1098598004.db2.gz DQBVLDLJTLFTPD-AAEUAGOBSA-N 0 3 304.837 3.046 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCc1ccc(C)cc1 ZINC001234604885 1098616314 /nfs/dbraw/zinc/61/63/14/1098616314.db2.gz XLCVVCLBJFLDGW-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(C2CC2)cs1 ZINC001177903656 1098643818 /nfs/dbraw/zinc/64/38/18/1098643818.db2.gz DKTVLXCZDKTLFP-SNVBAGLBSA-N 0 3 303.412 3.403 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(C(F)(F)F)no1 ZINC001177903741 1098643881 /nfs/dbraw/zinc/64/38/81/1098643881.db2.gz KMDDDFDVUTYJGS-SSDOTTSWSA-N 0 3 315.276 3.076 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCc1ccc(C(C)C)cc1 ZINC001277878981 1098650854 /nfs/dbraw/zinc/65/08/54/1098650854.db2.gz FXMGLNLXTRYPRS-KRWDZBQOSA-N 0 3 314.473 3.202 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cccc(C(C)C)n2)[C@@H]1C ZINC001178320399 1098795413 /nfs/dbraw/zinc/79/54/13/1098795413.db2.gz STBJOWRXIDLVKA-YJBOKZPZSA-N 0 3 315.461 3.250 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)/C=C/C(C)(C)C ZINC001178379784 1098799767 /nfs/dbraw/zinc/79/97/67/1098799767.db2.gz ZSXRGOYYRRGXEP-OBEOBPFGSA-N 0 3 324.468 3.219 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235105605 1098804518 /nfs/dbraw/zinc/80/45/18/1098804518.db2.gz KJRSRYUIMVXOOA-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001235339692 1098962741 /nfs/dbraw/zinc/96/27/41/1098962741.db2.gz YAMPLOGUTAYBGT-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001235353028 1098975447 /nfs/dbraw/zinc/97/54/47/1098975447.db2.gz FPHVKQSLBGLNDH-ZFWWWQNUSA-N 0 3 322.399 3.466 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001235391866 1098992202 /nfs/dbraw/zinc/99/22/02/1098992202.db2.gz GYTWYZIUXZRAIV-KRWDZBQOSA-N 0 3 312.498 3.305 20 30 DGEDHN CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccccc2CC#N)C1 ZINC001235523917 1099071482 /nfs/dbraw/zinc/07/14/82/1099071482.db2.gz WDYKHLGPYHNJJB-KRWDZBQOSA-N 0 3 314.429 3.306 20 30 DGEDHN Cc1ccc(O[C@H]2CCN(Cc3ccccc3CC#N)C2)nc1 ZINC001235526165 1099073718 /nfs/dbraw/zinc/07/37/18/1099073718.db2.gz BCTDRMWJTCNZEL-SFHVURJKSA-N 0 3 307.397 3.109 20 30 DGEDHN Cc1cccnc1O[C@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235526616 1099075202 /nfs/dbraw/zinc/07/52/02/1099075202.db2.gz FEVVKELFJSMEAI-SFHVURJKSA-N 0 3 307.397 3.109 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179334963 1099075578 /nfs/dbraw/zinc/07/55/78/1099075578.db2.gz CQXMSZYMJYLXTK-OAHLLOKOSA-N 0 3 321.465 3.352 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cncs1 ZINC001235650409 1099108519 /nfs/dbraw/zinc/10/85/19/1099108519.db2.gz FLRQBDFKURWBRK-OAHLLOKOSA-N 0 3 323.506 3.189 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCCCCNCc2nccs2)C1 ZINC001179532882 1099119472 /nfs/dbraw/zinc/11/94/72/1099119472.db2.gz ATWMVCJXNFRXIN-UHFFFAOYSA-N 0 3 321.490 3.266 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(F)cc1F ZINC001235698225 1099134754 /nfs/dbraw/zinc/13/47/54/1099134754.db2.gz AMQFBUBAKVNKPI-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179693311 1099164741 /nfs/dbraw/zinc/16/47/41/1099164741.db2.gz WQESRKFABMQVKQ-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN N#Cc1cccc(CN2CCN[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001235791671 1099181811 /nfs/dbraw/zinc/18/18/11/1099181811.db2.gz SHAYRVWPPRHWJO-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235854109 1099214830 /nfs/dbraw/zinc/21/48/30/1099214830.db2.gz FSSSPVWCEHNMJN-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@H](c3ccccc3)C2)c(Cl)c1 ZINC001235863187 1099223506 /nfs/dbraw/zinc/22/35/06/1099223506.db2.gz DFKMRIVAUTYRGJ-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN C=CCCC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001180640359 1099480195 /nfs/dbraw/zinc/48/01/95/1099480195.db2.gz OQCDNEFKUSBCLO-DNVCBOLYSA-N 0 3 316.445 3.046 20 30 DGEDHN CCCCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001187583243 1099544574 /nfs/dbraw/zinc/54/45/74/1099544574.db2.gz ZQUBICACPHBYFG-CQSZACIVSA-N 0 3 319.474 3.281 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC001187623454 1099559615 /nfs/dbraw/zinc/55/96/15/1099559615.db2.gz PDJRBSPDTHRAQK-GOSISDBHSA-N 0 3 318.420 3.181 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001273553700 1099692089 /nfs/dbraw/zinc/69/20/89/1099692089.db2.gz GJQKBFTYJPNVHW-CQSZACIVSA-N 0 3 308.388 3.321 20 30 DGEDHN COc1cc(C)c(CN2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001236808121 1099799261 /nfs/dbraw/zinc/79/92/61/1099799261.db2.gz NBYSLLJXXKFUJX-UHFFFAOYSA-N 0 3 308.381 3.139 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCCc3ccccc3)[C@@H]2C1 ZINC001188999661 1099924944 /nfs/dbraw/zinc/92/49/44/1099924944.db2.gz WBFWYFPVUURFFU-RBUKOAKNSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCN(C)CC2)c1 ZINC001189251865 1099993414 /nfs/dbraw/zinc/99/34/14/1099993414.db2.gz NDWLACSNNMNMNX-UHFFFAOYSA-N 0 3 315.461 3.302 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001189271276 1100013655 /nfs/dbraw/zinc/01/36/55/1100013655.db2.gz ZHDXHEDPLZQMFN-YOEHRIQHSA-N 0 3 304.409 3.386 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189462498 1100065777 /nfs/dbraw/zinc/06/57/77/1100065777.db2.gz WHLQOYFEPJGRHX-CRAIPNDOSA-N 0 3 313.445 3.027 20 30 DGEDHN CCc1cccc(C)c1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC001237328276 1100079232 /nfs/dbraw/zinc/07/92/32/1100079232.db2.gz XWAAANGUTKDSAY-UHFFFAOYSA-N 0 3 320.440 3.146 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2c(C)cccc2CC)C1 ZINC001237333881 1100082513 /nfs/dbraw/zinc/08/25/13/1100082513.db2.gz OMOIVLUYCHBFFT-QGZVFWFLSA-N 0 3 316.445 3.434 20 30 DGEDHN Cn1cc(CN2CC[C@@H]3CCCO[C@H]3C2)c2cc(C#N)ccc21 ZINC001237467875 1100134037 /nfs/dbraw/zinc/13/40/37/1100134037.db2.gz IGCHQXQZYHQPIL-KXBFYZLASA-N 0 3 309.413 3.051 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189858454 1100140724 /nfs/dbraw/zinc/14/07/24/1100140724.db2.gz RRVCTHKQHRXBCM-QAPCUYQASA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488512 1100141730 /nfs/dbraw/zinc/14/17/30/1100141730.db2.gz MPEPTAPJIXFPMS-QFBILLFUSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488512 1100141734 /nfs/dbraw/zinc/14/17/34/1100141734.db2.gz MPEPTAPJIXFPMS-QFBILLFUSA-N 0 3 317.429 3.027 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001189925696 1100152269 /nfs/dbraw/zinc/15/22/69/1100152269.db2.gz DXAYLSCXDWFJGR-YJBOKZPZSA-N 0 3 316.420 3.223 20 30 DGEDHN C#CCN(C(=O)c1cc(C)ccc1C)C1CCN(CC=C)CC1 ZINC001278200606 1100386502 /nfs/dbraw/zinc/38/65/02/1100386502.db2.gz OPAQWEWARNSFQA-UHFFFAOYSA-N 0 3 310.441 3.029 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191421837 1100464450 /nfs/dbraw/zinc/46/44/50/1100464450.db2.gz CYGNUGLPIXESII-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@@H]1C ZINC001278250341 1100474897 /nfs/dbraw/zinc/47/48/97/1100474897.db2.gz HUSTZNMDGURTQC-WMLDXEAASA-N 0 3 318.848 3.078 20 30 DGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)cnc1C1CC1 ZINC001238617715 1100485669 /nfs/dbraw/zinc/48/56/69/1100485669.db2.gz GPSKMILVKUOVNJ-HNNXBMFYSA-N 0 3 300.427 3.042 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001191694497 1100506083 /nfs/dbraw/zinc/50/60/83/1100506083.db2.gz BYIUMBMGRPKGEZ-QGZVFWFLSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191890673 1100540305 /nfs/dbraw/zinc/54/03/05/1100540305.db2.gz SUVKXPAIFRAWLW-CRAIPNDOSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001191889882 1100541096 /nfs/dbraw/zinc/54/10/96/1100541096.db2.gz LXVLQKIUFUUJQG-YJBOKZPZSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@H]1C ZINC001278293290 1100624823 /nfs/dbraw/zinc/62/48/23/1100624823.db2.gz LLFZCVLWOIBTEL-DYVFJYSZSA-N 0 3 322.399 3.400 20 30 DGEDHN CCCCCCCOC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001239321432 1100631576 /nfs/dbraw/zinc/63/15/76/1100631576.db2.gz RYVLOHXAVBGFCL-QGZVFWFLSA-N 0 3 304.434 3.398 20 30 DGEDHN CCCCCCCCCCOC(=O)N(C)C[C@@H]1CNCCO1 ZINC001239328028 1100634413 /nfs/dbraw/zinc/63/44/13/1100634413.db2.gz HVFKQAHKKITQTG-INIZCTEOSA-N 0 3 314.470 3.184 20 30 DGEDHN CCCCCCCCCCNC(=S)N1CC[C@@H](F)[C@@H](N)C1 ZINC001239440218 1100667520 /nfs/dbraw/zinc/66/75/20/1100667520.db2.gz CCXCANDTHFXLRG-CABCVRRESA-N 0 3 317.518 3.373 20 30 DGEDHN CCCCCCC[C@H](C)NC(=O)N1CCC2(CN(C)C2)CC1 ZINC001192938349 1100683260 /nfs/dbraw/zinc/68/32/60/1100683260.db2.gz OWAUYBGRVYPMON-INIZCTEOSA-N 0 3 309.498 3.473 20 30 DGEDHN C#CCOCCN(C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001193022152 1100694672 /nfs/dbraw/zinc/69/46/72/1100694672.db2.gz PDEMNAXOUJHDLA-UHFFFAOYSA-N 0 3 305.727 3.440 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2sccc2C)C1 ZINC001193737141 1100795095 /nfs/dbraw/zinc/79/50/95/1100795095.db2.gz WLQNAPSSAZTLJZ-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]c(-c2ccc(C)cc2)c1 ZINC001193784586 1100804263 /nfs/dbraw/zinc/80/42/63/1100804263.db2.gz UKGJVWHYRYOGHH-SFHVURJKSA-N 0 3 323.440 3.370 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001193825525 1100818972 /nfs/dbraw/zinc/81/89/72/1100818972.db2.gz RBMGPJABFULTJT-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC001203784170 1100842111 /nfs/dbraw/zinc/84/21/11/1100842111.db2.gz KLNWTDPVIVYLHN-UHFFFAOYSA-N 0 3 318.392 3.046 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N1CC[C@H](N(C)CC=C)C1 ZINC001194174250 1100881369 /nfs/dbraw/zinc/88/13/69/1100881369.db2.gz PNEYQKOYNXPFSP-MOPGFXCFSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2cc(C)ccc2C)C1 ZINC001194174262 1100881974 /nfs/dbraw/zinc/88/19/74/1100881974.db2.gz PWMCQOJGJBLJNE-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194182635 1100884896 /nfs/dbraw/zinc/88/48/96/1100884896.db2.gz BYVPOBXTCBUDTN-ROUUACIJSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](N(C)CCOCC)C2)CCCCC1 ZINC001194200327 1100893018 /nfs/dbraw/zinc/89/30/18/1100893018.db2.gz KUAMGRBWVAASQH-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2cc(C)sc2C)C1 ZINC001194325316 1100914077 /nfs/dbraw/zinc/91/40/77/1100914077.db2.gz IXXSUBOGRJQPDT-KRWDZBQOSA-N 0 3 320.502 3.406 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194338078 1100926681 /nfs/dbraw/zinc/92/66/81/1100926681.db2.gz WXVSTNWFHCQTPP-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN Cc1cccc(-c2cccc(CN3CCN(C)CC3)c2)c1C#N ZINC001240298118 1100929344 /nfs/dbraw/zinc/92/93/44/1100929344.db2.gz KWSXJCANKAMMOK-UHFFFAOYSA-N 0 3 305.425 3.281 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](N(C)CCOC(C)C)C2)CCCC1 ZINC001194569094 1100967633 /nfs/dbraw/zinc/96/76/33/1100967633.db2.gz WPEHMUOZGPALIW-KRWDZBQOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](N(C)CCOC(C)C)C2)CCCC1 ZINC001194569095 1100968372 /nfs/dbraw/zinc/96/83/72/1100968372.db2.gz WPEHMUOZGPALIW-QGZVFWFLSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cc(C)on2)CC1 ZINC001194769521 1101010248 /nfs/dbraw/zinc/01/02/48/1101010248.db2.gz WOMKUUNOIGHCBX-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2cc(C)ccc2C)CC1 ZINC001195191894 1101087375 /nfs/dbraw/zinc/08/73/75/1101087375.db2.gz PYNNGLLIOGWHCN-UHFFFAOYSA-N 0 3 300.446 3.304 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN(CC)Cc2occc2C)cc1 ZINC001195223640 1101100795 /nfs/dbraw/zinc/10/07/95/1101100795.db2.gz IVGTVQDPULLOIK-UHFFFAOYSA-N 0 3 310.397 3.420 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2ccc(C)c(C)c2)CC1 ZINC001195674361 1101172734 /nfs/dbraw/zinc/17/27/34/1101172734.db2.gz CLARDTKDMCPMNW-UHFFFAOYSA-N 0 3 312.457 3.141 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2ccccc2C2CC2)CC1 ZINC001195674940 1101173247 /nfs/dbraw/zinc/17/32/47/1101173247.db2.gz NNWVVZNUNDAUBN-UHFFFAOYSA-N 0 3 324.468 3.402 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](OCC)C2=CCCC2)CC1 ZINC001195852611 1101208126 /nfs/dbraw/zinc/20/81/26/1101208126.db2.gz CFUBETGCELOGJA-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001196011146 1101236054 /nfs/dbraw/zinc/23/60/54/1101236054.db2.gz ZSBMWAOVOZVESL-ZWKOTPCHSA-N 0 3 324.509 3.449 20 30 DGEDHN C=CCN(CC(=O)N[C@@H](C)Cc1ccccc1C)C(C)(C)C ZINC001196198257 1101265124 /nfs/dbraw/zinc/26/51/24/1101265124.db2.gz HYDDCXCMUCYIJU-INIZCTEOSA-N 0 3 302.462 3.329 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001196674686 1101365286 /nfs/dbraw/zinc/36/52/86/1101365286.db2.gz ZRLKMNLQZHYTGX-GOSISDBHSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2c(F)ccc(C)c2F)CC1 ZINC001197022245 1101460598 /nfs/dbraw/zinc/46/05/98/1101460598.db2.gz NWXYKCVQIXFEQF-UHFFFAOYSA-N 0 3 322.399 3.387 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001197300234 1101519176 /nfs/dbraw/zinc/51/91/76/1101519176.db2.gz IKKHMTBBWJALOG-UHFFFAOYSA-N 0 3 320.502 3.427 20 30 DGEDHN C=CC1(CC(=O)N2CCCN(C[C@@H](C)OC)CC2)CCCCC1 ZINC001197440397 1101560143 /nfs/dbraw/zinc/56/01/43/1101560143.db2.gz FILKPFCIVOSBCK-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001197379601 1101560254 /nfs/dbraw/zinc/56/02/54/1101560254.db2.gz PPACJAZZVUSRJG-OAHLLOKOSA-N 0 3 319.449 3.302 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC001197700922 1101646378 /nfs/dbraw/zinc/64/63/78/1101646378.db2.gz AZAAVTVPQDWQTI-HRCADAONSA-N 0 3 324.424 3.344 20 30 DGEDHN Cc1cscc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001241728625 1101663927 /nfs/dbraw/zinc/66/39/27/1101663927.db2.gz XATKKMNDAZVTNX-LLVKDONJSA-N 0 3 315.398 3.462 20 30 DGEDHN CC#Cc1cncc(-c2ccc(N3CCN(CC)CC3)cc2)c1 ZINC001241744352 1101674985 /nfs/dbraw/zinc/67/49/85/1101674985.db2.gz SEGZBZAOQBODCF-UHFFFAOYSA-N 0 3 305.425 3.262 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OCC)c(CC)c1 ZINC001198205173 1101779017 /nfs/dbraw/zinc/77/90/17/1101779017.db2.gz ZBFZPSHMQPYMOK-KRWDZBQOSA-N 0 3 316.445 3.028 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)CC1CC1)c1ccccc1OC ZINC001198482228 1101886523 /nfs/dbraw/zinc/88/65/23/1101886523.db2.gz MLCMNVWZLPTDBM-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C1CCCC1)c1ccccc1OC ZINC001198480973 1101887690 /nfs/dbraw/zinc/88/76/90/1101887690.db2.gz DROXXYAOTKDMCC-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccccc1SC ZINC001198524087 1101891600 /nfs/dbraw/zinc/89/16/00/1101891600.db2.gz CQUWYFQRMWFHKL-AWEZNQCLSA-N 0 3 302.443 3.225 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C(CC)CC)c1ccccc1OC ZINC001198556247 1101918314 /nfs/dbraw/zinc/91/83/14/1101918314.db2.gz YKGYWRVYPARWMN-KRWDZBQOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1OC ZINC001198667556 1101952034 /nfs/dbraw/zinc/95/20/34/1101952034.db2.gz IOXKZPLXPKPOJY-HZPDHXFCSA-N 0 3 316.445 3.064 20 30 DGEDHN N#Cc1ccc(CNC2([C@H]3CCCO3)CCC2)c(OC(F)F)c1 ZINC001198705249 1101967456 /nfs/dbraw/zinc/96/74/56/1101967456.db2.gz HLORFFATPMXEMB-OAHLLOKOSA-N 0 3 322.355 3.351 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCC1CC1)c1ccccc1OC ZINC001198751840 1101977794 /nfs/dbraw/zinc/97/77/94/1101977794.db2.gz JJQGEBDRFJWJOP-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CC1(C)CC1)c1ccccc1OC ZINC001198805985 1101994133 /nfs/dbraw/zinc/99/41/33/1101994133.db2.gz OINMIOWUFIRTOY-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN CC(C)CCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199266519 1102097805 /nfs/dbraw/zinc/09/78/05/1102097805.db2.gz VXSZVCMXQPIPAD-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN Cc1cccc(C)c1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110533130 1102140329 /nfs/dbraw/zinc/14/03/29/1102140329.db2.gz LZHAQLSXBFKWET-RLLQIKCJSA-N 0 3 324.468 3.184 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110534185 1102147689 /nfs/dbraw/zinc/14/76/89/1102147689.db2.gz UCBQTWJWHPTRTN-LFGUQSLTSA-N 0 3 324.468 3.437 20 30 DGEDHN Cc1ccc(C#N)cc1-c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC001242541519 1102198153 /nfs/dbraw/zinc/19/81/53/1102198153.db2.gz JTHJQCBNWSIGGU-UHFFFAOYSA-N 0 3 320.440 3.459 20 30 DGEDHN N#Cc1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)ccc1[O-] ZINC001242565538 1102213721 /nfs/dbraw/zinc/21/37/21/1102213721.db2.gz JBJLUQNTZBXKDA-UHFFFAOYSA-N 0 3 308.381 3.199 20 30 DGEDHN Cc1ccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)c(C#N)c1 ZINC001242591046 1102229731 /nfs/dbraw/zinc/22/97/31/1102229731.db2.gz FOKIPTRYTRESRS-UHFFFAOYSA-N 0 3 322.412 3.372 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001273833870 1102363948 /nfs/dbraw/zinc/36/39/48/1102363948.db2.gz RGMOZMFQPBCWCU-DBEXCURXSA-N 0 3 322.880 3.247 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001273833871 1102364051 /nfs/dbraw/zinc/36/40/51/1102364051.db2.gz RGMOZMFQPBCWCU-JGZYNSJSSA-N 0 3 322.880 3.247 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CCC)C2 ZINC001273840546 1102370435 /nfs/dbraw/zinc/37/04/35/1102370435.db2.gz LIEXWABSSLRXDT-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(c1ccccc1)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242891578 1102405269 /nfs/dbraw/zinc/40/52/69/1102405269.db2.gz SLWWGWONNUVIBL-HNNXBMFYSA-N 0 3 321.380 3.487 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccccc1Cl ZINC001200869539 1102429220 /nfs/dbraw/zinc/42/92/20/1102429220.db2.gz IXLRVDRKVATZRV-LBPRGKRZSA-N 0 3 309.866 3.277 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cc(C)cc(C)c1 ZINC001201212453 1102521803 /nfs/dbraw/zinc/52/18/03/1102521803.db2.gz BBRMAUIYXFGIRR-INIZCTEOSA-N 0 3 303.475 3.240 20 30 DGEDHN CCCCCCCN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001201761373 1102721090 /nfs/dbraw/zinc/72/10/90/1102721090.db2.gz BUJKUAZPALGLPO-IBGZPJMESA-N 0 3 304.478 3.136 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001201935527 1102755053 /nfs/dbraw/zinc/75/50/53/1102755053.db2.gz NUFDWCNTVIWMKH-FMIVXFBMSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202085509 1102823288 /nfs/dbraw/zinc/82/32/88/1102823288.db2.gz UXKSQKIVCCTNIC-PBZFIDODSA-N 0 3 319.276 3.344 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC001202130830 1102846980 /nfs/dbraw/zinc/84/69/80/1102846980.db2.gz PSMUWPIZITWOAZ-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCC(=O)N1CCC(NCc2ccncc2Cl)CC1 ZINC001202266865 1102903255 /nfs/dbraw/zinc/90/32/55/1102903255.db2.gz NGJZKLUGSKDKMP-UHFFFAOYSA-N 0 3 321.852 3.172 20 30 DGEDHN C=CC(C)(C)NCc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001203986901 1102970089 /nfs/dbraw/zinc/97/00/89/1102970089.db2.gz ODAMTDZFLBAPES-UHFFFAOYSA-N 0 3 312.360 3.124 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC001325436325 1103030115 /nfs/dbraw/zinc/03/01/15/1103030115.db2.gz IPKWPDJPHRMMLU-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cccs1)C2 ZINC001111078189 1103036118 /nfs/dbraw/zinc/03/61/18/1103036118.db2.gz NEMRDDSQRKTDHR-ABFRBSLYSA-N 0 3 318.486 3.224 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1ccccc1C)C2 ZINC001111101673 1103045565 /nfs/dbraw/zinc/04/55/65/1103045565.db2.gz ZWBNQHOIELUVOR-LFGUQSLTSA-N 0 3 324.468 3.233 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC001325634772 1103086973 /nfs/dbraw/zinc/08/69/73/1103086973.db2.gz MUVAZAZBSYVHMP-INIZCTEOSA-N 0 3 303.402 3.109 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001488667309 1103096697 /nfs/dbraw/zinc/09/66/97/1103096697.db2.gz OESWIWDQKRDSHN-HUUCEWRRSA-N 0 3 319.449 3.299 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccccc1CC ZINC001325703407 1103105950 /nfs/dbraw/zinc/10/59/50/1103105950.db2.gz VYKDCNUEZAZVQU-UHFFFAOYSA-N 0 3 320.436 3.114 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001488684387 1103106514 /nfs/dbraw/zinc/10/65/14/1103106514.db2.gz ZGEWUSQVYYFDDW-KBPBESRZSA-N 0 3 320.399 3.464 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001325957383 1103172640 /nfs/dbraw/zinc/17/26/40/1103172640.db2.gz YUBDFYHWNVAAJP-RCCFBDPRSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC2(C[C@H]1C)CCN(CC#CC)CC2 ZINC001488976533 1103227997 /nfs/dbraw/zinc/22/79/97/1103227997.db2.gz WSCSIMNZIKEOOZ-SMHZUEHJSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1cccs1)C2 ZINC001111368082 1103248071 /nfs/dbraw/zinc/24/80/71/1103248071.db2.gz KJWOBIBUMFAVRA-OIISXLGYSA-N 0 3 318.486 3.368 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001489084053 1103262521 /nfs/dbraw/zinc/26/25/21/1103262521.db2.gz GNTNXYLXCMFFCV-TZXZOBESSA-N 0 3 322.880 3.264 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110595490 1103262589 /nfs/dbraw/zinc/26/25/89/1103262589.db2.gz SSYOGVWHDAMYBZ-KFWWJZLASA-N 0 3 310.869 3.453 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)Cc2cccc(C)c2)C1 ZINC001326348460 1103283340 /nfs/dbraw/zinc/28/33/40/1103283340.db2.gz DRROAKYWFXDMBY-MRXNPFEDSA-N 0 3 320.864 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001326418108 1103308571 /nfs/dbraw/zinc/30/85/71/1103308571.db2.gz GHUJPIVSZONURD-QGZVFWFLSA-N 0 3 320.864 3.200 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CCC1CCC1 ZINC001326449129 1103319121 /nfs/dbraw/zinc/31/91/21/1103319121.db2.gz GZDQJVXCBZGFCG-UHFFFAOYSA-N 0 3 312.457 3.338 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1=COCCC1 ZINC001326449355 1103320463 /nfs/dbraw/zinc/32/04/63/1103320463.db2.gz JZDIJPZXDZDPSA-UHFFFAOYSA-N 0 3 314.429 3.005 20 30 DGEDHN CC#CCCCC(=O)NCc1ccc([C@@H](C)NCC#CC)cc1 ZINC001326480359 1103334466 /nfs/dbraw/zinc/33/44/66/1103334466.db2.gz LYTZREUCXROSOT-QGZVFWFLSA-N 0 3 310.441 3.170 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CSC(C)C)cc1 ZINC001326489648 1103338625 /nfs/dbraw/zinc/33/86/25/1103338625.db2.gz CCQUIZWSDDMDIQ-HNNXBMFYSA-N 0 3 318.486 3.118 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C)(C)c2ccc(F)cc2)[C@H]1C ZINC001489271333 1103349344 /nfs/dbraw/zinc/34/93/44/1103349344.db2.gz ILXYVXCPFLLYQP-PBHICJAKSA-N 0 3 318.436 3.258 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114726745 1103410439 /nfs/dbraw/zinc/41/04/39/1103410439.db2.gz PVZDOVVESLVCRI-CYSTZAOTSA-N 0 3 324.468 3.349 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001114754487 1103429654 /nfs/dbraw/zinc/42/96/54/1103429654.db2.gz CETJYRPLTNXPDW-NHAGDIPZSA-N 0 3 318.383 3.122 20 30 DGEDHN Cc1ccc(-c2cc(OC3CCN(C)CC3)ccn2)cc1C#N ZINC001244481383 1103471415 /nfs/dbraw/zinc/47/14/15/1103471415.db2.gz BHLNOPVMXAWIHI-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001276326688 1103494644 /nfs/dbraw/zinc/49/46/44/1103494644.db2.gz JDRVSCMEINXCJE-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC001490560685 1103657687 /nfs/dbraw/zinc/65/76/87/1103657687.db2.gz MEOJHMNOXWASNN-MOPGFXCFSA-N 0 3 314.473 3.268 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001490607408 1103679092 /nfs/dbraw/zinc/67/90/92/1103679092.db2.gz XXISPSKOQKHCSY-DLBZAZTESA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001490611546 1103680923 /nfs/dbraw/zinc/68/09/23/1103680923.db2.gz XBZGIJGJJGFXPU-HMECNJMJSA-N 0 3 322.452 3.002 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)cc(C)c1)C2 ZINC001095960387 1103714028 /nfs/dbraw/zinc/71/40/28/1103714028.db2.gz HUJCQOGKOLYYKG-QYZOEREBSA-N 0 3 312.457 3.144 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001095962875 1103716005 /nfs/dbraw/zinc/71/60/05/1103716005.db2.gz KJXBIDJUIQCBJG-QYZOEREBSA-N 0 3 312.457 3.144 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C2 ZINC001095998599 1103725045 /nfs/dbraw/zinc/72/50/45/1103725045.db2.gz WUCZCIDPSCILOL-KBXIAJHMSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001327869267 1103748909 /nfs/dbraw/zinc/74/89/09/1103748909.db2.gz VKRGPTYDOOBLFO-HIFRSBDPSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC001096125325 1103762107 /nfs/dbraw/zinc/76/21/07/1103762107.db2.gz MXFNURNEVXTKEL-XBFCOCLRSA-N 0 3 324.877 3.242 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C2 ZINC001096139139 1103765255 /nfs/dbraw/zinc/76/52/55/1103765255.db2.gz OXOQMYRFMUCZBP-AGRFSFNASA-N 0 3 324.468 3.478 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCc3ccccc31)C2 ZINC001096204494 1103783942 /nfs/dbraw/zinc/78/39/42/1103783942.db2.gz HSOMPPMKQWRIOB-JYBIWHBTSA-N 0 3 324.468 3.404 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1sc(C)cc1C)C2 ZINC001096454079 1103836489 /nfs/dbraw/zinc/83/64/89/1103836489.db2.gz OOJWAELLEBSKFN-PMPSAXMXSA-N 0 3 318.486 3.205 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001328469482 1103958429 /nfs/dbraw/zinc/95/84/29/1103958429.db2.gz RJKNJPHQNFCIHK-HXUWFJFHSA-N 0 3 324.468 3.306 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1c(C)nsc1C ZINC001328604925 1103997248 /nfs/dbraw/zinc/99/72/48/1103997248.db2.gz NSSJCTHTKPMAHD-HNNXBMFYSA-N 0 3 321.490 3.197 20 30 DGEDHN CC(C)Oc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001137136025 1104004049 /nfs/dbraw/zinc/00/40/49/1104004049.db2.gz JHVGDMYIQQLIJY-MRXNPFEDSA-N 0 3 303.427 3.248 20 30 DGEDHN C#CCN(Cc1ccc(OC(=O)CC)c(OCC)c1)CC1CC1 ZINC001328658927 1104015254 /nfs/dbraw/zinc/01/52/54/1104015254.db2.gz BXFOZPQVOULLFV-UHFFFAOYSA-N 0 3 315.413 3.246 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(C2CCCCC2)CC1 ZINC001328784455 1104069540 /nfs/dbraw/zinc/06/95/40/1104069540.db2.gz CPVPKMCWESVJBW-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C\C(C)(C)C)C12CCC2 ZINC001202664501 1104106669 /nfs/dbraw/zinc/10/66/69/1104106669.db2.gz OOHMIQHKVLEFKK-CHOOUNKSSA-N 0 3 310.869 3.358 20 30 DGEDHN Cc1cccc(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)c1 ZINC001328977422 1104111910 /nfs/dbraw/zinc/11/19/10/1104111910.db2.gz IUENIFJAXLNBNG-ROUUACIJSA-N 0 3 320.436 3.143 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001328997862 1104119053 /nfs/dbraw/zinc/11/90/53/1104119053.db2.gz SKDWJVWHUBVDAW-LSDHHAIUSA-N 0 3 318.848 3.141 20 30 DGEDHN Cc1cccc(NC(=O)N2CCC3SC(=O)C=C3C2)c1C ZINC001202699057 1104123417 /nfs/dbraw/zinc/12/34/17/1104123417.db2.gz PYZZNQWJTJIPHK-AWEZNQCLSA-N 0 3 302.399 3.109 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202727331 1104143833 /nfs/dbraw/zinc/14/38/33/1104143833.db2.gz XZPRIUUYEILIAH-OPXLZXMFSA-N 0 3 322.452 3.021 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001274338850 1104357461 /nfs/dbraw/zinc/35/74/61/1104357461.db2.gz IZGHKNCWZNQRMN-HPFMTEOYSA-N 0 3 304.409 3.190 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](CCCC)CNCc1ccc(C#N)s1 ZINC001329875365 1104404073 /nfs/dbraw/zinc/40/40/73/1104404073.db2.gz KGSDGJUORNMMDA-BRRGFWCPSA-N 0 3 319.474 3.351 20 30 DGEDHN CC(C)C(=O)NC[C@@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC001329909426 1104420572 /nfs/dbraw/zinc/42/05/72/1104420572.db2.gz RFTNJEJRVDAKBI-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001330037655 1104458987 /nfs/dbraw/zinc/45/89/87/1104458987.db2.gz BPPZAOIVLPPLBM-HZPDHXFCSA-N 0 3 300.446 3.225 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001330052727 1104465120 /nfs/dbraw/zinc/46/51/20/1104465120.db2.gz CHNGZHGENIWVDY-CABCVRRESA-N 0 3 318.436 3.017 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)CCCC2CCCCC2)C1 ZINC001330074660 1104472590 /nfs/dbraw/zinc/47/25/90/1104472590.db2.gz PEDAOZJSHNMALS-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001330086969 1104476242 /nfs/dbraw/zinc/47/62/42/1104476242.db2.gz VXSMXCNBMVKMDJ-MRXNPFEDSA-N 0 3 306.494 3.155 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCCc2ccsc2)CC1(C)C ZINC001330182881 1104499839 /nfs/dbraw/zinc/49/98/39/1104499839.db2.gz FNVSYVTVLNRGGA-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CN(CCOCC(C)C)CC1(C)C ZINC001330224883 1104512202 /nfs/dbraw/zinc/51/22/02/1104512202.db2.gz WGNQSZVWPLQQKR-INIZCTEOSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001274867787 1104528941 /nfs/dbraw/zinc/52/89/41/1104528941.db2.gz OQJZOBTTZRSPKH-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)C[C@@H](C)CCC)CC2)C1 ZINC001274868099 1104529754 /nfs/dbraw/zinc/52/97/54/1104529754.db2.gz STUGSZUDYLMJIR-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cc(C)ccc2F)CCC1 ZINC001274913013 1104539658 /nfs/dbraw/zinc/53/96/58/1104539658.db2.gz HUMOBZYKHSGXCA-OAHLLOKOSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2CC=CC2)CC1 ZINC001274945562 1104551696 /nfs/dbraw/zinc/55/16/96/1104551696.db2.gz PVZZEWBZZKVYNY-UHFFFAOYSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC001274974330 1104563807 /nfs/dbraw/zinc/56/38/07/1104563807.db2.gz IFUJOUBLGRFTLY-IYBDPMFKSA-N 0 3 305.491 3.456 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001330624811 1104596963 /nfs/dbraw/zinc/59/69/63/1104596963.db2.gz UDJCQKIMNATZLW-SHTZXODSSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(CCC)s1 ZINC001275116325 1104632007 /nfs/dbraw/zinc/63/20/07/1104632007.db2.gz WFBCZUODAPZQAH-CQSZACIVSA-N 0 3 306.475 3.423 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001275167512 1104663636 /nfs/dbraw/zinc/66/36/36/1104663636.db2.gz CYPBMYDDQIQKGQ-HNNXBMFYSA-N 0 3 318.436 3.098 20 30 DGEDHN CCCCCCCCN(C)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246767225 1104666977 /nfs/dbraw/zinc/66/69/77/1104666977.db2.gz ASXPPLGTJJSYFO-HOTGVXAUSA-N 0 3 312.498 3.351 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](CC)C(C)(C)C)CCC[C@@H]12 ZINC001278466141 1104678369 /nfs/dbraw/zinc/67/83/69/1104678369.db2.gz GURBRGHCDPTYKR-GPMSIDNRSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC(C)(C)c3ccccc3)CCC[C@@H]12 ZINC001278467767 1104697365 /nfs/dbraw/zinc/69/73/65/1104697365.db2.gz UVNHTEWYJURTPQ-WIYYLYMNSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCCC(=O)NC1CC(CNCc2c(F)cccc2F)C1 ZINC001275278937 1104703251 /nfs/dbraw/zinc/70/32/51/1104703251.db2.gz LWWLQOSYDGXLQH-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001275355058 1104734459 /nfs/dbraw/zinc/73/44/59/1104734459.db2.gz JNBMUXKCEMQLOL-BARLUBHISA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001275463869 1104767337 /nfs/dbraw/zinc/76/73/37/1104767337.db2.gz ZSUXQVMBGXSJTA-STQMWFEESA-N 0 3 319.474 3.205 20 30 DGEDHN C=CCCC(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001275651141 1104847462 /nfs/dbraw/zinc/84/74/62/1104847462.db2.gz AVEGXKORDDJIFL-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNCc1cnc(C)o1 ZINC001275676239 1104858724 /nfs/dbraw/zinc/85/87/24/1104858724.db2.gz CNQNUDBYCMZHDT-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1csc(C)n1 ZINC001275746040 1104892267 /nfs/dbraw/zinc/89/22/67/1104892267.db2.gz HSKWWNMHAFPBMU-ZBFHGGJFSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001275904312 1104948447 /nfs/dbraw/zinc/94/84/47/1104948447.db2.gz GCTIVSRPYCJKBD-CQSZACIVSA-N 0 3 320.502 3.495 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(C)C)C2 ZINC001095503361 1105047964 /nfs/dbraw/zinc/04/79/64/1105047964.db2.gz ISIIYOATGXSHBE-MNEFBYGVSA-N 0 3 310.441 3.168 20 30 DGEDHN CN(CC/C=C/c1cccnc1)Cc1cnn2ccc(C#N)cc12 ZINC001249118235 1105227851 /nfs/dbraw/zinc/22/78/51/1105227851.db2.gz BZNHKRRKHGCTHF-GORDUTHDSA-N 0 3 317.396 3.136 20 30 DGEDHN Cc1cc(-c2noc(C[C@@H](N)c3ccccc3F)n2)ccc1C#N ZINC001249336353 1105270496 /nfs/dbraw/zinc/27/04/96/1105270496.db2.gz JXYBSIFTRKYLHR-MRXNPFEDSA-N 0 3 322.343 3.298 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccccc3C(F)(F)F)no2)CCCN1 ZINC001249352582 1105271946 /nfs/dbraw/zinc/27/19/46/1105271946.db2.gz BINZIOZLVJXNRX-OAHLLOKOSA-N 0 3 321.302 3.357 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(Cl)c(F)cc3F)no2)CCCN1 ZINC001249353040 1105273261 /nfs/dbraw/zinc/27/32/61/1105273261.db2.gz IDEJXWSSHYRKOK-OAHLLOKOSA-N 0 3 323.730 3.270 20 30 DGEDHN N#Cc1ccc2cc(CN3CCC4(CCCOC4)CC3)[nH]c2c1 ZINC001249430024 1105286943 /nfs/dbraw/zinc/28/69/43/1105286943.db2.gz AIVXISHILYDRKW-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(F)cc2)[C@H]1C ZINC001278516471 1105291079 /nfs/dbraw/zinc/29/10/79/1105291079.db2.gz SQQBEJZIFIUJHT-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN N#Cc1cc(Cl)ccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249557828 1105312530 /nfs/dbraw/zinc/31/25/30/1105312530.db2.gz BGSVEBCDQJMNND-INIZCTEOSA-N 0 3 317.820 3.392 20 30 DGEDHN N#Cc1cc(F)c(F)cc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249566723 1105317165 /nfs/dbraw/zinc/31/71/65/1105317165.db2.gz GBNQNYRVEJRKNW-CQSZACIVSA-N 0 3 319.355 3.017 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1c(C)cccc1CC ZINC001249574446 1105319465 /nfs/dbraw/zinc/31/94/65/1105319465.db2.gz BYASQGOZZXJDKV-INIZCTEOSA-N 0 3 317.502 3.494 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(F)(F)F)[C@H]1C ZINC001278526850 1105347884 /nfs/dbraw/zinc/34/78/84/1105347884.db2.gz NMYRZRZXAOUUBO-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)oc3ccccc31)C2 ZINC001097130129 1105352185 /nfs/dbraw/zinc/35/21/85/1105352185.db2.gz UBJMLUFJIXASAN-OIISXLGYSA-N 0 3 322.408 3.100 20 30 DGEDHN CC(C)=CCN1CCC[C@@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001278533060 1105371185 /nfs/dbraw/zinc/37/11/85/1105371185.db2.gz MOVNBZNQPDQWEV-UYAOXDASSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)s1)C2 ZINC001097466020 1105396084 /nfs/dbraw/zinc/39/60/84/1105396084.db2.gz WFEKUYYXGOPWJF-YUELXQCFSA-N 0 3 304.459 3.222 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CCCC)cc1)C2 ZINC001097481113 1105400599 /nfs/dbraw/zinc/40/05/99/1105400599.db2.gz DEPGJPWXKPMAEL-AQNXPRMDSA-N 0 3 324.468 3.388 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC3(CC3)CC1)C2 ZINC001097555371 1105408579 /nfs/dbraw/zinc/40/85/79/1105408579.db2.gz GULZCSSGEWBKOJ-ZACQAIPSSA-N 0 3 302.462 3.254 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C(C)C)C2 ZINC001097701209 1105431876 /nfs/dbraw/zinc/43/18/76/1105431876.db2.gz DMXGGHSQMNUUML-BMFZPTHFSA-N 0 3 302.418 3.314 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(Cl)c1)C2 ZINC001097770260 1105444288 /nfs/dbraw/zinc/44/42/88/1105444288.db2.gz NSWNKGFQUDRLPJ-ZACQAIPSSA-N 0 3 318.848 3.180 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001278585468 1105546022 /nfs/dbraw/zinc/54/60/22/1105546022.db2.gz LQHAXMKYTNEVNP-KCWVNHISSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001098451611 1105575703 /nfs/dbraw/zinc/57/57/03/1105575703.db2.gz PGFAJSMVTNCSDL-VXNCWWDNSA-N 0 3 302.462 3.421 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3ccccc31)C2 ZINC001098456548 1105576120 /nfs/dbraw/zinc/57/61/20/1105576120.db2.gz BUPGSIPOGYRFBU-LZQZEXGQSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC)o2)C1 ZINC001098907007 1105612936 /nfs/dbraw/zinc/61/29/36/1105612936.db2.gz QRLFYQAJORWSFO-KSSFIOAISA-N 0 3 302.418 3.002 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@H]1CNC(=O)C(=O)C(C)(C)C ZINC001098989041 1105623082 /nfs/dbraw/zinc/62/30/82/1105623082.db2.gz UORYRJNKAKTWDN-HNNXBMFYSA-N 0 3 322.493 3.175 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001099085267 1105640315 /nfs/dbraw/zinc/64/03/15/1105640315.db2.gz MJCLYXVRFFHFPI-PXNSSMCTSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001099101777 1105642410 /nfs/dbraw/zinc/64/24/10/1105642410.db2.gz HFSRJPBZGBJCNJ-KXBFYZLASA-N 0 3 316.445 3.482 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3ccncc3c2)C1 ZINC001099108742 1105643458 /nfs/dbraw/zinc/64/34/58/1105643458.db2.gz TVICBXXGUBWBHB-ICSRJNTNSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001099117739 1105644087 /nfs/dbraw/zinc/64/40/87/1105644087.db2.gz JZDXSHBYUNJXIR-PXNSSMCTSA-N 0 3 323.440 3.018 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001099132989 1105647003 /nfs/dbraw/zinc/64/70/03/1105647003.db2.gz CLPNCNKQVMMHRN-FPOVZHCZSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CCC=C)CC1 ZINC001099214233 1105657368 /nfs/dbraw/zinc/65/73/68/1105657368.db2.gz IQCJNAOAZVCKHP-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@H]1CNC(=O)c1nccs1 ZINC001099276540 1105663952 /nfs/dbraw/zinc/66/39/52/1105663952.db2.gz SYVHTWMSVCIFOA-AWEZNQCLSA-N 0 3 321.490 3.330 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1C(F)(F)F ZINC001099288583 1105664671 /nfs/dbraw/zinc/66/46/71/1105664671.db2.gz SNWQPADWSOMGOW-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CCOC ZINC001099292071 1105665529 /nfs/dbraw/zinc/66/55/29/1105665529.db2.gz PDXFNMXODAQWNH-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001099302342 1105665613 /nfs/dbraw/zinc/66/56/13/1105665613.db2.gz RANIFNHYKSJEDX-NFAWXSAZSA-N 0 3 318.383 3.144 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001278636605 1105686682 /nfs/dbraw/zinc/68/66/82/1105686682.db2.gz AYWGUFBOHZPNIH-QGZVFWFLSA-N 0 3 306.494 3.300 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NNCC1CCOCC1 ZINC001251898634 1105707713 /nfs/dbraw/zinc/70/77/13/1105707713.db2.gz CSCFVJORIMSMHL-XFVHRVNFSA-N 0 3 313.445 3.300 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001490970124 1105728951 /nfs/dbraw/zinc/72/89/51/1105728951.db2.gz WRYNXEDSYLXGCW-HNSVSWJLSA-N 0 3 310.457 3.448 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC001252123140 1105744276 /nfs/dbraw/zinc/74/42/76/1105744276.db2.gz DBCNHHASEVAIHG-ZIAGYGMSSA-N 0 3 311.388 3.097 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CC[C@@H](Oc2cnccn2)C1 ZINC001252133134 1105747293 /nfs/dbraw/zinc/74/72/93/1105747293.db2.gz MWZMHBPCXKXERU-IAGOWNOFSA-N 0 3 321.465 3.041 20 30 DGEDHN CCCCCCCC[C@@H](O)CN[C@H](CO)c1ccc(OC)cc1 ZINC001252135152 1105748243 /nfs/dbraw/zinc/74/82/43/1105748243.db2.gz YPNGSEOXWPXLNH-IEBWSBKVSA-N 0 3 323.477 3.430 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001491118970 1105757772 /nfs/dbraw/zinc/75/77/72/1105757772.db2.gz ZKBFJTMUEKFNSN-MSOLQXFVSA-N 0 3 304.478 3.220 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001491119073 1105758164 /nfs/dbraw/zinc/75/81/64/1105758164.db2.gz BMHMLSOHNNGSDJ-SJORKVTESA-N 0 3 315.461 3.012 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001491123152 1105758904 /nfs/dbraw/zinc/75/89/04/1105758904.db2.gz QSYZBVOVJSQXTN-DSKINZAPSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001491175107 1105765949 /nfs/dbraw/zinc/76/59/49/1105765949.db2.gz UIVYHPPJUSFZGI-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C[C@](C)(O)CN1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001252557248 1105792983 /nfs/dbraw/zinc/79/29/83/1105792983.db2.gz IKAMEDVKTNXEFN-HNNXBMFYSA-N 0 3 315.244 3.052 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCCC(C)(C)C)C1 ZINC001491288412 1105799087 /nfs/dbraw/zinc/79/90/87/1105799087.db2.gz UDWDJLORKHEOHW-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252622578 1105806870 /nfs/dbraw/zinc/80/68/70/1105806870.db2.gz XAEPLZUTXQRVRC-OCCSQVGLSA-N 0 3 314.351 3.468 20 30 DGEDHN C=CCCCC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001491362432 1105814205 /nfs/dbraw/zinc/81/42/05/1105814205.db2.gz XZBNHWDZSDFDOF-UHFFFAOYSA-N 0 3 307.463 3.016 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC001491441329 1105827541 /nfs/dbraw/zinc/82/75/41/1105827541.db2.gz LPJYLDKCYBCXCA-DYVFJYSZSA-N 0 3 322.399 3.314 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccoc2CCC)C1 ZINC001278686699 1105853155 /nfs/dbraw/zinc/85/31/55/1105853155.db2.gz MKRPBHGXYTXZKU-LJQANCHMSA-N 0 3 316.445 3.087 20 30 DGEDHN CCCC[C@H](CC)COC[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC001253006310 1105874977 /nfs/dbraw/zinc/87/49/77/1105874977.db2.gz IULPFAATMQEJQE-KSZLIROESA-N 0 3 310.482 3.206 20 30 DGEDHN CCCC[C@H](CC)COC[C@@H](O)CNCc1cc(C#N)cs1 ZINC001253033786 1105880619 /nfs/dbraw/zinc/88/06/19/1105880619.db2.gz KXQOGEWIDBCOPE-HOCLYGCPSA-N 0 3 324.490 3.303 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@H](c2noc(C)n2)C1 ZINC001253234029 1105906142 /nfs/dbraw/zinc/90/61/42/1105906142.db2.gz SJYOXXPWGQEHSW-DLBZAZTESA-N 0 3 321.465 3.445 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](CC)CCCC)C[C@]2(C)C1 ZINC001101306168 1105906925 /nfs/dbraw/zinc/90/69/25/1105906925.db2.gz CQYJJILZPMXXLI-LMMKCTJWSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001253235685 1105907521 /nfs/dbraw/zinc/90/75/21/1105907521.db2.gz NGDKOTPLNWJIJV-HUUCEWRRSA-N 0 3 323.399 3.121 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)c(Cl)cc3C)C2)C1 ZINC001253539040 1105953857 /nfs/dbraw/zinc/95/38/57/1105953857.db2.gz MQOCIQUWGCIVJU-UHFFFAOYSA-N 0 3 318.848 3.291 20 30 DGEDHN CCCN(CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254308684 1106054652 /nfs/dbraw/zinc/05/46/52/1106054652.db2.gz VBBVMUYQJZSSPF-HNNXBMFYSA-N 0 3 309.454 3.402 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc3nnc(-c4ccccc4)n3c2)C1 ZINC001254648998 1106121431 /nfs/dbraw/zinc/12/14/31/1106121431.db2.gz PNQTXIQDECZBRE-PBHICJAKSA-N 0 3 317.396 3.178 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC001254654556 1106123311 /nfs/dbraw/zinc/12/33/11/1106123311.db2.gz VUOLFPCEVCMPBD-CJNGLKHVSA-N 0 3 304.821 3.316 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001254662204 1106127428 /nfs/dbraw/zinc/12/74/28/1106127428.db2.gz CXEAJIQOIYWVMB-UKRRQHHQSA-N 0 3 324.453 3.298 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668557 1106128861 /nfs/dbraw/zinc/12/88/61/1106128861.db2.gz IYJLKILWOIMLKG-GDBMZVCRSA-N 0 3 321.465 3.400 20 30 DGEDHN N#C[C@H]1CC[C@H](N2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001254678687 1106132929 /nfs/dbraw/zinc/13/29/29/1106132929.db2.gz GZKGRBRVEBVMDU-AJNGGQMLSA-N 0 3 301.821 3.295 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(C1)CCC(NCCC#N)CC2 ZINC001254866023 1106150744 /nfs/dbraw/zinc/15/07/44/1106150744.db2.gz KGZLKIPGBQFLRH-UHFFFAOYSA-N 0 3 307.438 3.059 20 30 DGEDHN N#CC1(c2ccccc2)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254947259 1106159031 /nfs/dbraw/zinc/15/90/31/1106159031.db2.gz WOPWRIQDEHJHPR-VQFNDLOPSA-N 0 3 308.425 3.301 20 30 DGEDHN C=C[C@@H](COC)NCc1ccc(Br)c2cccnc12 ZINC001255013104 1106165194 /nfs/dbraw/zinc/16/51/94/1106165194.db2.gz IJDJCEJXNJLPML-LBPRGKRZSA-N 0 3 321.218 3.288 20 30 DGEDHN CC[C@@H](CC#N)NCC1(c2ccccc2OC)CCOCC1 ZINC001255156047 1106192896 /nfs/dbraw/zinc/19/28/96/1106192896.db2.gz DWKCVJRHHQLBHG-HNNXBMFYSA-N 0 3 302.418 3.025 20 30 DGEDHN CC[C@@H](CC#N)NCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001255156281 1106193132 /nfs/dbraw/zinc/19/31/32/1106193132.db2.gz YWBWIVQVBZKGDC-LSDHHAIUSA-N 0 3 309.454 3.448 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC001255160083 1106194041 /nfs/dbraw/zinc/19/40/41/1106194041.db2.gz FTGDTDBPWPTLDQ-HNNXBMFYSA-N 0 3 319.424 3.081 20 30 DGEDHN CC[C@@H](CC#N)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001255168318 1106198393 /nfs/dbraw/zinc/19/83/93/1106198393.db2.gz PNPYVVYWQQSAEV-QYZOEREBSA-N 0 3 313.445 3.393 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2oc(C)nc2c1)C(C)C ZINC001278912408 1106372721 /nfs/dbraw/zinc/37/27/21/1106372721.db2.gz PIPOYVCLAPHHCO-UHFFFAOYSA-N 0 3 315.417 3.105 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2cc(C)ccc2[nH]1)C(C)C ZINC001278914401 1106377962 /nfs/dbraw/zinc/37/79/62/1106377962.db2.gz GGQNFJLAOINVOM-UHFFFAOYSA-N 0 3 313.445 3.445 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCc1csc(C)n1)C(C)C ZINC001278922402 1106396851 /nfs/dbraw/zinc/39/68/51/1106396851.db2.gz PMNWQOLTEOFCKG-UHFFFAOYSA-N 0 3 323.506 3.129 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1CCC(C)(C)CC1)C(C)C ZINC001278929626 1106406330 /nfs/dbraw/zinc/40/63/30/1106406330.db2.gz HQNNERXQCDCFRQ-UHFFFAOYSA-N 0 3 306.494 3.395 20 30 DGEDHN C[C@H]1C[C@H](NCc2cc(C#N)co2)CCN1C(=O)OC(C)(C)C ZINC001256464959 1106426476 /nfs/dbraw/zinc/42/64/76/1106426476.db2.gz CXFKGAMOFUKQCS-GXTWGEPZSA-N 0 3 319.405 3.029 20 30 DGEDHN C#CCCN[C@H](CNC(=O)/C=C(\C)C1CC1)c1ccccc1CC ZINC001278969689 1106498642 /nfs/dbraw/zinc/49/86/42/1106498642.db2.gz OLVNVHCZYPRXBD-KETLNSEPSA-N 0 3 324.468 3.376 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](F)CC)c1ccccc1CC ZINC001278969953 1106499307 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ZINC001257146512 1106544476 /nfs/dbraw/zinc/54/44/76/1106544476.db2.gz ONXGXFFMQPVYHC-CQSZACIVSA-N 0 3 300.402 3.078 20 30 DGEDHN C[C@H]1CC(NCC2(C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257580349 1106609078 /nfs/dbraw/zinc/60/90/78/1106609078.db2.gz GFQTWZDJRTWGND-STQMWFEESA-N 0 3 307.438 3.056 20 30 DGEDHN CC(C)C#CC(=O)N(C)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001316930526 1106777497 /nfs/dbraw/zinc/77/74/97/1106777497.db2.gz DWDOBMSQRWNWGR-YFHOEESVSA-N 0 3 324.468 3.282 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001316948673 1106809507 /nfs/dbraw/zinc/80/95/07/1106809507.db2.gz HITCGHJGTYZJRI-HZPDHXFCSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)CCc1ccccc1F ZINC001320042059 1106811216 /nfs/dbraw/zinc/81/12/16/1106811216.db2.gz KTYRTSQMTRVLNN-INIZCTEOSA-N 0 3 320.452 3.361 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001316950913 1106814150 /nfs/dbraw/zinc/81/41/50/1106814150.db2.gz FIAADCOQYMVEIM-WMZOPIPTSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC001316953808 1106819244 /nfs/dbraw/zinc/81/92/44/1106819244.db2.gz NXIPZNPHFAUYJS-HNNXBMFYSA-N 0 3 322.399 3.054 20 30 DGEDHN CCCN(CCC#N)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258587722 1106832695 /nfs/dbraw/zinc/83/26/95/1106832695.db2.gz YDDWHRYWLXCMHK-SFHVURJKSA-N 0 3 313.445 3.193 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001316978062 1106840206 /nfs/dbraw/zinc/84/02/06/1106840206.db2.gz OIVZWJKLCSUHOQ-GOSISDBHSA-N 0 3 324.468 3.304 20 30 DGEDHN CC1(C)CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001258606766 1106846340 /nfs/dbraw/zinc/84/63/40/1106846340.db2.gz BTBKWLLDDOEPBT-OAHLLOKOSA-N 0 3 301.409 3.398 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001316984722 1106849370 /nfs/dbraw/zinc/84/93/70/1106849370.db2.gz FBPKOYXRYVUXJA-IBGZPJMESA-N 0 3 312.457 3.222 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001316992849 1106871959 /nfs/dbraw/zinc/87/19/59/1106871959.db2.gz VHEQOQUSYDVDJA-HNNXBMFYSA-N 0 3 319.449 3.327 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCCOCC2)CC1 ZINC001317003836 1106887101 /nfs/dbraw/zinc/88/71/01/1106887101.db2.gz BTHOJZVBEWPBEM-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001258729751 1106935012 /nfs/dbraw/zinc/93/50/12/1106935012.db2.gz XMCYGRJMCQDDAJ-PMPSAXMXSA-N 0 3 324.465 3.051 20 30 DGEDHN C=CCC[C@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001258728422 1106935980 /nfs/dbraw/zinc/93/59/80/1106935980.db2.gz OTFAKRFWFHWGJE-JKSUJKDBSA-N 0 3 304.482 3.455 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001317044131 1106943724 /nfs/dbraw/zinc/94/37/24/1106943724.db2.gz GXOVOWVOMCOACW-NXHRZFHOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CC ZINC001317048013 1106949298 /nfs/dbraw/zinc/94/92/98/1106949298.db2.gz BOUHZCAVSPOWGG-ZJPYXAASSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001317052222 1106954446 /nfs/dbraw/zinc/95/44/46/1106954446.db2.gz VPBXDPRKXZBKHW-ZGXWSNOMSA-N 0 3 324.468 3.432 20 30 DGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC001320306575 1106955554 /nfs/dbraw/zinc/95/55/54/1106955554.db2.gz WYMFQUNEJAVBGF-DGCLKSJQSA-N 0 3 303.324 3.479 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCc2cccnc2)C1 ZINC001320378970 1106985998 /nfs/dbraw/zinc/98/59/98/1106985998.db2.gz ZXXDYUCEZRMNTB-IBGZPJMESA-N 0 3 324.424 3.438 20 30 DGEDHN C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001317098788 1106996976 /nfs/dbraw/zinc/99/69/76/1106996976.db2.gz ZBZAPFGZKCBTCJ-YHWZYXNKSA-N 0 3 318.383 3.263 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001317125037 1107022314 /nfs/dbraw/zinc/02/23/14/1107022314.db2.gz IJRNHQKRJOBRJS-VBNZEHGJSA-N 0 3 306.837 3.170 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(Cc2scnc2C)C1 ZINC001317131865 1107034116 /nfs/dbraw/zinc/03/41/16/1107034116.db2.gz NOBQJOYXRCUMSG-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C[C@H](COC)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC001320591054 1107064991 /nfs/dbraw/zinc/06/49/91/1107064991.db2.gz BNSYDVGCPMPRJW-BXUZGUMPSA-N 0 3 303.431 3.365 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1C ZINC001320645349 1107086202 /nfs/dbraw/zinc/08/62/02/1107086202.db2.gz NYRVXOUSBGPQOP-GJZGRUSLSA-N 0 3 308.853 3.335 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001317176141 1107093230 /nfs/dbraw/zinc/09/32/30/1107093230.db2.gz JWGDMKWNFWINFO-CVEARBPZSA-N 0 3 318.436 3.476 20 30 DGEDHN CCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccc(Cl)cc1 ZINC001317176575 1107094687 /nfs/dbraw/zinc/09/46/87/1107094687.db2.gz LFLFGYYOTQCLSS-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001317178243 1107098761 /nfs/dbraw/zinc/09/87/61/1107098761.db2.gz XFTDZHPQGQFPHT-HFCFLWKCSA-N 0 3 304.478 3.197 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001317259524 1107180344 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CCN(C/C=C\c1ccccc1)CCNC(=O)C#CC(C)(C)C ZINC001317480577 1107435259 /nfs/dbraw/zinc/43/52/59/1107435259.db2.gz UUMNFJVNIGHKIK-XFXZXTDPSA-N 0 3 312.457 3.187 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCN(C[C@H](F)CC)C2)CCCC1 ZINC001317538699 1107498898 /nfs/dbraw/zinc/49/88/98/1107498898.db2.gz KSKSYQSCVYSWEK-JKSUJKDBSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001317538682 1107501736 /nfs/dbraw/zinc/50/17/36/1107501736.db2.gz YORDFSNGBDXQLS-MERDRXRJSA-N 0 3 323.440 3.019 20 30 DGEDHN CC(C)c1ccc(CN(CCNC(=O)[C@@H](C)C#N)C2CC2)cc1 ZINC001317549533 1107522427 /nfs/dbraw/zinc/52/24/27/1107522427.db2.gz YFBFAUJWRBHYHV-HNNXBMFYSA-N 0 3 313.445 3.050 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccccc1OC(C)C)C1CC1 ZINC001317559175 1107539700 /nfs/dbraw/zinc/53/97/00/1107539700.db2.gz RRDPJDZFFZVUMF-UHFFFAOYSA-N 0 3 316.445 3.244 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001317585909 1107555327 /nfs/dbraw/zinc/55/53/27/1107555327.db2.gz PDRIJVVNIAVYNH-ZDUSSCGKSA-N 0 3 324.827 3.248 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001322223208 1107576328 /nfs/dbraw/zinc/57/63/28/1107576328.db2.gz KEPMHPALGSJVLY-LSDHHAIUSA-N 0 3 306.425 3.365 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001317645237 1107578445 /nfs/dbraw/zinc/57/84/45/1107578445.db2.gz HEABAJZMCCMSDF-QGZVFWFLSA-N 0 3 321.490 3.384 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001322224599 1107580035 /nfs/dbraw/zinc/58/00/35/1107580035.db2.gz RJEVANASKYLMLL-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)Cc2ccc(F)cc2C)C1 ZINC001322245144 1107590668 /nfs/dbraw/zinc/59/06/68/1107590668.db2.gz UOBIPAVRQHUAMA-HNNXBMFYSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2ccc(F)cc2C)C1 ZINC001322245145 1107591572 /nfs/dbraw/zinc/59/15/72/1107591572.db2.gz UOBIPAVRQHUAMA-OAHLLOKOSA-N 0 3 318.436 3.427 20 30 DGEDHN N#Cc1cc(NC(=O)c2ccc3c(c2)CNCC3)ccc1C1CC1 ZINC001262045286 1107592933 /nfs/dbraw/zinc/59/29/33/1107592933.db2.gz LPLYJBANUZTYQW-UHFFFAOYSA-N 0 3 317.392 3.334 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H](C)NCc2ncc(C)s2)CC1 ZINC001317678891 1107597482 /nfs/dbraw/zinc/59/74/82/1107597482.db2.gz UUAZVMVDIGCZQE-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccc(C)c(C)n1)c1ccccc1 ZINC001317720337 1107621503 /nfs/dbraw/zinc/62/15/03/1107621503.db2.gz CRVKLHFKTWMTNY-LJQANCHMSA-N 0 3 323.440 3.335 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@@H](C)n1cccc1)c1ccccc1 ZINC001317726707 1107624637 /nfs/dbraw/zinc/62/46/37/1107624637.db2.gz BAOPQPKQQSDHSC-SJLPKXTDSA-N 0 3 311.429 3.072 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@H](C)n1cccc1)c1ccccc1 ZINC001317726706 1107624872 /nfs/dbraw/zinc/62/48/72/1107624872.db2.gz BAOPQPKQQSDHSC-FUHWJXTLSA-N 0 3 311.429 3.072 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CC ZINC001317733863 1107629529 /nfs/dbraw/zinc/62/95/29/1107629529.db2.gz CCGDZAFJVYJYKH-VEZGUZHXSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCOC ZINC001317734608 1107629701 /nfs/dbraw/zinc/62/97/01/1107629701.db2.gz JFAZLELBMOMSPI-CALCHBBNSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001317761447 1107645360 /nfs/dbraw/zinc/64/53/60/1107645360.db2.gz MALACHAQHFOOFV-INIZCTEOSA-N 0 3 303.450 3.134 20 30 DGEDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@H](O)CC#N ZINC001262236967 1107655054 /nfs/dbraw/zinc/65/50/54/1107655054.db2.gz QGFMFNCIPVXCDA-MAUKXSAKSA-N 0 3 310.397 3.230 20 30 DGEDHN C=CCCC(=O)N(C)CCCN[C@@H](C)c1cc(F)ccc1F ZINC001322439069 1107673125 /nfs/dbraw/zinc/67/31/25/1107673125.db2.gz ASDVUZWLQCZDSO-ZDUSSCGKSA-N 0 3 310.388 3.430 20 30 DGEDHN C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826869 1107692401 /nfs/dbraw/zinc/69/24/01/1107692401.db2.gz RGVXBCQNTPMAEE-HOTGVXAUSA-N 0 3 316.445 3.141 20 30 DGEDHN C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826869 1107692411 /nfs/dbraw/zinc/69/24/11/1107692411.db2.gz RGVXBCQNTPMAEE-HOTGVXAUSA-N 0 3 316.445 3.141 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cc(F)c(C#N)c(F)c1 ZINC001262573197 1107727935 /nfs/dbraw/zinc/72/79/35/1107727935.db2.gz PEACXKGBHYGODL-XIKOKIGWSA-N 0 3 316.351 3.091 20 30 DGEDHN C=C(C)CCC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC001262623644 1107748395 /nfs/dbraw/zinc/74/83/95/1107748395.db2.gz JOOBDNPBQJKOGH-KRWDZBQOSA-N 0 3 324.509 3.063 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCOC)C2)CCCCC1 ZINC001317955181 1107762200 /nfs/dbraw/zinc/76/22/00/1107762200.db2.gz HEAJVKKREHKOLV-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001317979562 1107779100 /nfs/dbraw/zinc/77/91/00/1107779100.db2.gz OKDMKZNJQTYEMX-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCOC)C2)CCCCC1 ZINC001317993964 1107787067 /nfs/dbraw/zinc/78/70/67/1107787067.db2.gz HEAJVKKREHKOLV-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1sccc1Cl)C1CC1 ZINC001322968864 1107793124 /nfs/dbraw/zinc/79/31/24/1107793124.db2.gz GIZUDSMPERWJNO-ZDUSSCGKSA-N 0 3 312.866 3.352 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ncc(C)s2)[C@H](CC)C1 ZINC001323129555 1107845292 /nfs/dbraw/zinc/84/52/92/1107845292.db2.gz MFISWVXQVPISKV-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@@H](CCC)CC2CCCCC2)C1 ZINC001318160056 1107868609 /nfs/dbraw/zinc/86/86/09/1107868609.db2.gz ZMTUNLGXOMCUNX-IBGZPJMESA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)s1 ZINC001318185059 1107884870 /nfs/dbraw/zinc/88/48/70/1107884870.db2.gz RAIAJVPDTMNXMY-QEJZJMRPSA-N 0 3 304.459 3.310 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001323311039 1107929548 /nfs/dbraw/zinc/92/95/48/1107929548.db2.gz SOKZXZXAUJFPBP-ZDUSSCGKSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001323333426 1107940221 /nfs/dbraw/zinc/94/02/21/1107940221.db2.gz CFLDJMLTSWOVMM-UKRRQHHQSA-N 0 3 317.433 3.101 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1cccc2ccccc21 ZINC001323340635 1107945341 /nfs/dbraw/zinc/94/53/41/1107945341.db2.gz PLIIDCFZEUYNFH-GOSISDBHSA-N 0 3 308.425 3.149 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001323356333 1107947878 /nfs/dbraw/zinc/94/78/78/1107947878.db2.gz ILZILMIVGROGMA-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(OC)cc1)C1CCC1 ZINC001263221227 1107978266 /nfs/dbraw/zinc/97/82/66/1107978266.db2.gz IROYKHUAFXIICP-HOTGVXAUSA-N 0 3 322.836 3.123 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001318421841 1107993575 /nfs/dbraw/zinc/99/35/75/1107993575.db2.gz FYNIITGTEXMHAT-RDJZCZTQSA-N 0 3 300.446 3.493 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC001263294746 1108003257 /nfs/dbraw/zinc/00/32/57/1108003257.db2.gz GOUDWTCHOYPXNR-OFQRWUPVSA-N 0 3 316.376 3.425 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001318472134 1108035216 /nfs/dbraw/zinc/03/52/16/1108035216.db2.gz WGTGTEIYKVZUTH-HXUWFJFHSA-N 0 3 324.468 3.140 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2cnc(C)s2)CCC1 ZINC001318569223 1108101190 /nfs/dbraw/zinc/10/11/90/1108101190.db2.gz GQUUKJSLSYCBOP-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C(CCC)CCC)C2)C1 ZINC001323859212 1108107471 /nfs/dbraw/zinc/10/74/71/1108107471.db2.gz HWLGWMJVTUSZIU-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)CCCC3CCCC3)C2)C1 ZINC001323874447 1108109972 /nfs/dbraw/zinc/10/99/72/1108109972.db2.gz ZEFGKARVPXDPKP-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cc(Cl)cs1 ZINC001263616838 1108111717 /nfs/dbraw/zinc/11/17/17/1108111717.db2.gz KIICVSLHYHTLGK-LBPRGKRZSA-N 0 3 307.806 3.427 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(C)cc1 ZINC001263616967 1108112311 /nfs/dbraw/zinc/11/23/11/1108112311.db2.gz PCVIXVQSXGHAJH-OAHLLOKOSA-N 0 3 309.369 3.051 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001318836279 1108212227 /nfs/dbraw/zinc/21/22/27/1108212227.db2.gz KLRTWLHELFLIHS-HUUCEWRRSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CCNCc2conc2C)C1 ZINC001318805757 1108201806 /nfs/dbraw/zinc/20/18/06/1108201806.db2.gz RYLUQMGQWMOXER-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)COC1CCC(C)CC1 ZINC001263823433 1108236013 /nfs/dbraw/zinc/23/60/13/1108236013.db2.gz NFQGSFVPIGSDED-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cccc(C)c2Cl)CC1 ZINC001324323096 1108250796 /nfs/dbraw/zinc/25/07/96/1108250796.db2.gz PXFAAAOUZQLMLB-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001263876639 1108277302 /nfs/dbraw/zinc/27/73/02/1108277302.db2.gz LGQHTWOEHJEPNB-BPLDGKMQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCO[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001324417979 1108281174 /nfs/dbraw/zinc/28/11/74/1108281174.db2.gz XURIQDJRENBLJC-IDKBZEPQSA-N 0 3 302.374 3.275 20 30 DGEDHN C#CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C1CCN(CC=C)CC1 ZINC001324425780 1108282074 /nfs/dbraw/zinc/28/20/74/1108282074.db2.gz ABPBSBRIOAHTJJ-SJORKVTESA-N 0 3 318.505 3.417 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001264000239 1108330478 /nfs/dbraw/zinc/33/04/78/1108330478.db2.gz JMXAHQGDTIEDAQ-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)nc2C)[C@@H]1CC ZINC001264046797 1108352165 /nfs/dbraw/zinc/35/21/65/1108352165.db2.gz PKFKWTHOSJIMDR-ZWKOTPCHSA-N 0 3 315.461 3.134 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2cc(C)sc2C)C1 ZINC001324609565 1108373655 /nfs/dbraw/zinc/37/36/55/1108373655.db2.gz XOQVKKFUPUVAMD-GOSISDBHSA-N 0 3 318.486 3.249 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2cc(C)sc2C)C1 ZINC001324609566 1108374213 /nfs/dbraw/zinc/37/42/13/1108374213.db2.gz XOQVKKFUPUVAMD-SFHVURJKSA-N 0 3 318.486 3.249 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001319238283 1108379847 /nfs/dbraw/zinc/37/98/47/1108379847.db2.gz SDHLTXRGTIIMFZ-UGSOOPFHSA-N 0 3 324.415 3.409 20 30 DGEDHN C=CCCCC(=O)N[C@@]1(C)CCN(CCc2ccccc2F)C1 ZINC001324642895 1108395736 /nfs/dbraw/zinc/39/57/36/1108395736.db2.gz ZDXVHAQKHHZENY-IBGZPJMESA-N 0 3 318.436 3.305 20 30 DGEDHN C=C1CCC(C(=O)N[C@]2(C)CCN(CCOCCCC)C2)CC1 ZINC001324646125 1108399022 /nfs/dbraw/zinc/39/90/22/1108399022.db2.gz GYWXJJYNQMGXCO-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCOc2ccccc2)C1 ZINC001324669620 1108414146 /nfs/dbraw/zinc/41/41/46/1108414146.db2.gz PNAQPZMFBZABNT-IBGZPJMESA-N 0 3 316.445 3.002 20 30 DGEDHN O=C(CCC1CC1)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001319343180 1108421802 /nfs/dbraw/zinc/42/18/02/1108421802.db2.gz YIUBYJTXHGKGOW-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(OCC)cc1 ZINC001264187474 1108424924 /nfs/dbraw/zinc/42/49/24/1108424924.db2.gz VJJHTCODCXNNHC-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@](C)(F)CCCC)CC(C)(C)C1 ZINC001264194666 1108428909 /nfs/dbraw/zinc/42/89/09/1108428909.db2.gz DDTDKMGUGOYGJO-QAPCUYQASA-N 0 3 310.457 3.145 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)[C@H](C)CC)CCCC1 ZINC001319379246 1108438382 /nfs/dbraw/zinc/43/83/82/1108438382.db2.gz OBWYACSXEPVVJP-TZMCWYRMSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001319525020 1108506942 /nfs/dbraw/zinc/50/69/42/1108506942.db2.gz ZMRJXMFNPSQKMZ-LBPRGKRZSA-N 0 3 309.479 3.053 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001324971462 1108542180 /nfs/dbraw/zinc/54/21/80/1108542180.db2.gz IKVQMGVDCNEDFC-QFBILLFUSA-N 0 3 316.445 3.015 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001324976576 1108545624 /nfs/dbraw/zinc/54/56/24/1108545624.db2.gz NFCUASZQYSBHJV-KRWDZBQOSA-N 0 3 323.868 3.179 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001324978947 1108548797 /nfs/dbraw/zinc/54/87/97/1108548797.db2.gz WLKJABBVNLVZQT-OAHLLOKOSA-N 0 3 302.409 3.072 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCCC(C)C)C(C)(C)[C@H]21 ZINC001264587051 1108581387 /nfs/dbraw/zinc/58/13/87/1108581387.db2.gz XFXUWPYWZDKJRO-NJAFHUGGSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC(C)(C)CC)C(C)(C)[C@H]21 ZINC001264587007 1108581442 /nfs/dbraw/zinc/58/14/42/1108581442.db2.gz WUTLYISKGJQWBX-NJAFHUGGSA-N 0 3 318.505 3.441 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccccc2)[C@H]1C ZINC001264717872 1108629260 /nfs/dbraw/zinc/62/92/60/1108629260.db2.gz NYALEWACJOTCAC-AEFFLSMTSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CCNCc1conc1C ZINC001319775251 1108631488 /nfs/dbraw/zinc/63/14/88/1108631488.db2.gz SQXOFWFRDIUAHG-KRWDZBQOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)/C(C)=C/C)C2 ZINC001264747183 1108645494 /nfs/dbraw/zinc/64/54/94/1108645494.db2.gz SPNWEKFOMDVHAC-WLRTZDKTSA-N 0 3 319.474 3.050 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1cncs1 ZINC001319861435 1108667744 /nfs/dbraw/zinc/66/77/44/1108667744.db2.gz OTHHJZOGFSVRLT-GOEBONIOSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1ccsc1)C(C)C ZINC001319916631 1108694001 /nfs/dbraw/zinc/69/40/01/1108694001.db2.gz IBDGRFXJNBCNRN-AWEZNQCLSA-N 0 3 314.882 3.164 20 30 DGEDHN CC#CCN(CCCNC(=O)C1[C@@H]2CCCCCC[C@@H]12)C1CC1 ZINC001265175580 1108759710 /nfs/dbraw/zinc/75/97/10/1108759710.db2.gz IKLWLLWFWSETNU-QZTJIDSGSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001265211251 1108779449 /nfs/dbraw/zinc/77/94/49/1108779449.db2.gz SOAYLCDRLAZLIY-QGZVFWFLSA-N 0 3 318.486 3.249 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001265286522 1108806184 /nfs/dbraw/zinc/80/61/84/1108806184.db2.gz WTTJNXSBCAZDQW-IBGZPJMESA-N 0 3 312.457 3.454 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001265296732 1108810222 /nfs/dbraw/zinc/81/02/22/1108810222.db2.gz CIKNFAGWAIXBTG-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1OCC ZINC001265402345 1108863958 /nfs/dbraw/zinc/86/39/58/1108863958.db2.gz OFCHWFGBECUDCZ-MHORFTMASA-N 0 3 322.493 3.057 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001265408880 1108864925 /nfs/dbraw/zinc/86/49/25/1108864925.db2.gz XFBVAVADWNZDCL-OAGGEKHMSA-N 0 3 308.441 3.299 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001265468734 1108882721 /nfs/dbraw/zinc/88/27/21/1108882721.db2.gz MHSNIXQUNSAZCP-WDSOQIARSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001265572276 1108913796 /nfs/dbraw/zinc/91/37/96/1108913796.db2.gz CVBCPJGBSMGIMC-KFWWJZLASA-N 0 3 300.874 3.438 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCCC[C@@H]1CNCCF)c1ccccc1 ZINC001265691324 1108967487 /nfs/dbraw/zinc/96/74/87/1108967487.db2.gz IQTIALHMPWROBF-QZTJIDSGSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001265808553 1109010055 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C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001280029988 1109171962 /nfs/dbraw/zinc/17/19/62/1109171962.db2.gz DSSCXJNZKNFJIO-ZDUSSCGKSA-N 0 3 312.866 3.251 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccoc2CC)C1 ZINC001280032295 1109172654 /nfs/dbraw/zinc/17/26/54/1109172654.db2.gz SQHDWQHTSNYYSE-CYBMUJFWSA-N 0 3 310.825 3.036 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1 ZINC001280350746 1109188465 /nfs/dbraw/zinc/18/84/65/1109188465.db2.gz NNHIKCZHCMLIBG-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001280756988 1109248703 /nfs/dbraw/zinc/24/87/03/1109248703.db2.gz ROVYXYKFMQDBQS-CRAIPNDOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C(C)C ZINC001281064361 1109299529 /nfs/dbraw/zinc/29/95/29/1109299529.db2.gz XLNQTQYFTGQBEN-GOSISDBHSA-N 0 3 300.446 3.152 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001281657196 1109389388 /nfs/dbraw/zinc/38/93/88/1109389388.db2.gz CGCGEAVAXQEREX-KGLIPLIRSA-N 0 3 318.383 3.102 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C[C@@H]1C ZINC001281666584 1109391898 /nfs/dbraw/zinc/39/18/98/1109391898.db2.gz ZXQXANMVGXKVLU-PKOBYXMFSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CCc3ccccc3)CC2)C[C@@H]1C ZINC001281682079 1109396003 /nfs/dbraw/zinc/39/60/03/1109396003.db2.gz GLMDOZIMLYMCAF-HKUYNNGSSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1cccc(C)c1 ZINC001281955933 1109422103 /nfs/dbraw/zinc/42/21/03/1109422103.db2.gz SGKYTVQMEFQTDQ-WMZOPIPTSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@](C)(F)CCCC)C1 ZINC001282016482 1109430413 /nfs/dbraw/zinc/43/04/13/1109430413.db2.gz ZUYMOIHYGWSMHH-PIMMBPRGSA-N 0 3 304.837 3.142 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)C1CCCCC1 ZINC001282086570 1109445951 /nfs/dbraw/zinc/44/59/51/1109445951.db2.gz OHWKCJXVJFZHBO-CHWSQXEVSA-N 0 3 319.474 3.183 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001282186095 1109465503 /nfs/dbraw/zinc/46/55/03/1109465503.db2.gz RXDPJBOEXUTQFD-CABCVRRESA-N 0 3 318.436 3.096 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2c(C)nsc2C)C1 ZINC001282186494 1109465981 /nfs/dbraw/zinc/46/59/81/1109465981.db2.gz VMMLKYNGKHJRAM-VXGBXAGGSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cscc1C(F)(F)F ZINC001282505069 1109528310 /nfs/dbraw/zinc/52/83/10/1109528310.db2.gz WDKNTLZJWHCTOJ-VIFPVBQESA-N 0 3 306.353 3.003 20 30 DGEDHN O=C(C#CC1CC1)NC[C@H]1CCCCCN1Cc1ccsc1 ZINC001282665474 1109547207 /nfs/dbraw/zinc/54/72/07/1109547207.db2.gz DPXWPZMRTWBRIT-QGZVFWFLSA-N 0 3 316.470 3.022 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001282666527 1109548699 /nfs/dbraw/zinc/54/86/99/1109548699.db2.gz RMCKPFVABYDGEG-ZWKOTPCHSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001282678505 1109551138 /nfs/dbraw/zinc/55/11/38/1109551138.db2.gz URGLHTLLPYUKMQ-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN 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C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1ccoc1 ZINC001316675147 1111081590 /nfs/dbraw/zinc/08/15/90/1111081590.db2.gz KRCDRLKVBXIDJB-CZUORRHYSA-N 0 3 324.852 3.181 20 30 DGEDHN C=CCN(C)CCN(CC)c1ncc(C#N)c2ccsc21 ZINC001307153274 1111272478 /nfs/dbraw/zinc/27/24/78/1111272478.db2.gz KYRBYLQARMDZGY-UHFFFAOYSA-N 0 3 300.431 3.112 20 30 DGEDHN N#Cc1ccc(N2CCN(CC34CCC(CC3)C4)CC2)c(F)c1 ZINC001307448664 1111301397 /nfs/dbraw/zinc/30/13/97/1111301397.db2.gz AEDRZIKUJAPVIX-UHFFFAOYSA-N 0 3 313.420 3.400 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CCCc1cc(C)sc1C ZINC001317472144 1111331923 /nfs/dbraw/zinc/33/19/23/1111331923.db2.gz VVLBAGZODKGDFL-UHFFFAOYSA-N 0 3 308.491 3.312 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3ccc(CC)cc3)CC2)C1=O ZINC001307977565 1111361999 /nfs/dbraw/zinc/36/19/99/1111361999.db2.gz ZSAUCOREWDTIGO-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001308081810 1111375066 /nfs/dbraw/zinc/37/50/66/1111375066.db2.gz NQRZQIKYJMQDRL-JYJNAYRXSA-N 0 3 324.346 3.256 20 30 DGEDHN C[C@@H]1CCCC[C@H]1OCCNCc1cc(C#N)ccc1N(C)C ZINC001308201211 1111396702 /nfs/dbraw/zinc/39/67/02/1111396702.db2.gz XKYRBJHNFQMWQV-DNVCBOLYSA-N 0 3 315.461 3.309 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cc(F)ccc1N(C)CCCCC ZINC001308449958 1111430153 /nfs/dbraw/zinc/43/01/53/1111430153.db2.gz CPAYCSVAXGIZIS-SFHVURJKSA-N 0 3 320.452 3.316 20 30 DGEDHN C#CCN1CCC[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC001308520749 1111437948 /nfs/dbraw/zinc/43/79/48/1111437948.db2.gz GDFJGDMCNLKMPM-NSHDSACASA-N 0 3 303.258 3.242 20 30 DGEDHN CC[C@H]1CCC[C@@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC001308793801 1111475452 /nfs/dbraw/zinc/47/54/52/1111475452.db2.gz ZRWMMGWKBYEIFD-DLBZAZTESA-N 0 3 312.461 3.292 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CCCN1[O-] ZINC001308843942 1111483026 /nfs/dbraw/zinc/48/30/26/1111483026.db2.gz PIFBRPCDNRFTFF-CWRNSKLLSA-N 0 3 322.836 3.336 20 30 DGEDHN CCCCCCCS(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC001309060764 1111510477 /nfs/dbraw/zinc/51/04/77/1111510477.db2.gz SMAVVFHQXGDGPT-HZPDHXFCSA-N 0 3 318.527 3.139 20 30 DGEDHN C#Cc1ccc(NC(=O)NCCN2CCC(C)CC2)c(Cl)c1 ZINC001311258088 1111591930 /nfs/dbraw/zinc/59/19/30/1111591930.db2.gz BBXFPNVLFUZILD-UHFFFAOYSA-N 0 3 319.836 3.175 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001312641755 1111664275 /nfs/dbraw/zinc/66/42/75/1111664275.db2.gz MJILVCYKFMGEMA-HZPDHXFCSA-N 0 3 307.482 3.105 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC001312788688 1111673595 /nfs/dbraw/zinc/67/35/95/1111673595.db2.gz LHFRNMDBYWSKPI-SFHVURJKSA-N 0 3 319.493 3.086 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC[C@@H]2CCCCN2C)CCCC1(C)C ZINC001313377148 1111712669 /nfs/dbraw/zinc/71/26/69/1111712669.db2.gz WHXSMNPWGXGJTG-JKSUJKDBSA-N 0 3 307.482 3.247 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001316998055 1111735855 /nfs/dbraw/zinc/73/58/55/1111735855.db2.gz IRJBZFXWIKSMKW-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncs1 ZINC001316704997 1111740711 /nfs/dbraw/zinc/74/07/11/1111740711.db2.gz WTTJMWWBTGXICK-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCc1ncc(C)s1 ZINC001329322162 1111752012 /nfs/dbraw/zinc/75/20/12/1111752012.db2.gz XYEAQYXGGXWRKF-UHFFFAOYSA-N 0 3 323.506 3.238 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)[C@@H]1C ZINC001316777813 1111763852 /nfs/dbraw/zinc/76/38/52/1111763852.db2.gz WCFXDIJHPNNPJA-QAPCUYQASA-N 0 3 323.440 3.280 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)[C@@H]1C ZINC001316780832 1111765307 /nfs/dbraw/zinc/76/53/07/1111765307.db2.gz HMBNGWZJKRZMSN-APWZRJJASA-N 0 3 312.457 3.132 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cncc(F)c1 ZINC001316875197 1111788026 /nfs/dbraw/zinc/78/80/26/1111788026.db2.gz WFRKYRNQMZSVAC-WMLDXEAASA-N 0 3 319.424 3.046 20 30 DGEDHN CC[C@@H](NC[C@H](O)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278303515 214077623 /nfs/dbraw/zinc/07/76/23/214077623.db2.gz SEEIZOFCROJACP-MOPGFXCFSA-N 0 3 310.397 3.341 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000272853679 210248911 /nfs/dbraw/zinc/24/89/11/210248911.db2.gz LNOGSDUYQCEWPX-KBAYOESNSA-N 0 3 321.486 3.149 20 30 DGEDHN Cc1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000309857162 231106199 /nfs/dbraw/zinc/10/61/99/231106199.db2.gz CGEXESWMYFCEQJ-QAPCUYQASA-N 0 3 306.413 3.337 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cccc(C#N)c2)c1 ZINC000103114132 432003949 /nfs/dbraw/zinc/00/39/49/432003949.db2.gz SCJYVESFODALEH-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)C)c1ccccc1 ZINC000129380321 432004719 /nfs/dbraw/zinc/00/47/19/432004719.db2.gz OEKAIKWKNIDKKN-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000341753214 529663787 /nfs/dbraw/zinc/66/37/87/529663787.db2.gz FITYKMFMWJATQJ-HHXXYDBFSA-N 0 3 315.461 3.479 20 30 DGEDHN CCc1ccc([C@@H](CNc2ncc(C#N)cc2F)N(C)C)cc1 ZINC000413029188 529709013 /nfs/dbraw/zinc/70/90/13/529709013.db2.gz RJIOAWVUUJSDQP-QGZVFWFLSA-N 0 3 312.392 3.370 20 30 DGEDHN C[C@@H](NCc1ccnc(N2CCCC2)c1)c1cccc(C#N)c1 ZINC000181459255 199299729 /nfs/dbraw/zinc/29/97/29/199299729.db2.gz NLQBQLGFUKXQRC-OAHLLOKOSA-N 0 3 306.413 3.404 20 30 DGEDHN Cc1oc(NC(=O)CN(C)C2CCCCCC2)c(C#N)c1C ZINC000097010755 185396635 /nfs/dbraw/zinc/39/66/35/185396635.db2.gz WSEYPESSAGEKPZ-UHFFFAOYSA-N 0 3 303.406 3.361 20 30 DGEDHN CN(C)c1ccncc1CNc1cccc(OCCCC#N)c1 ZINC000185160422 529800384 /nfs/dbraw/zinc/80/03/84/529800384.db2.gz ZGWZMLHSOVEFQV-UHFFFAOYSA-N 0 3 310.401 3.442 20 30 DGEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310132890 529984113 /nfs/dbraw/zinc/98/41/13/529984113.db2.gz LAUVHCPIYCZATR-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN CN(Cc1ccc(O)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433388809 529989186 /nfs/dbraw/zinc/98/91/86/529989186.db2.gz VQHBYMVZTVJJIF-QGZVFWFLSA-N 0 3 308.381 3.123 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@H](COC)OC)cc1 ZINC000272707058 210111060 /nfs/dbraw/zinc/11/10/60/210111060.db2.gz UNWPEXSISRZVKZ-CZUORRHYSA-N 0 3 313.825 3.130 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104701494 432017387 /nfs/dbraw/zinc/01/73/87/432017387.db2.gz HNUQOWAOFHNCFL-OALUTQOASA-N 0 3 313.445 3.172 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ccc2OC)CC1 ZINC000106039991 432020281 /nfs/dbraw/zinc/02/02/81/432020281.db2.gz MIHOXLJDSTZUIU-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3ccccc3n2)CC1 ZINC000106039449 432020526 /nfs/dbraw/zinc/02/05/26/432020526.db2.gz CLAVNMQJNSFVBD-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN COCCCOc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000066971932 432024791 /nfs/dbraw/zinc/02/47/91/432024791.db2.gz WVFRRLOEZZSYQF-UHFFFAOYSA-N 0 3 310.397 3.263 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000106884927 432024881 /nfs/dbraw/zinc/02/48/81/432024881.db2.gz WAJFHNCXLAOGTC-QGZVFWFLSA-N 0 3 310.357 3.181 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2cccs2)CC1 ZINC000171738281 197976372 /nfs/dbraw/zinc/97/63/72/197976372.db2.gz HCMLPMPJGWTOFX-CYBMUJFWSA-N 0 3 307.463 3.101 20 30 DGEDHN CCCCNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000172395888 198091068 /nfs/dbraw/zinc/09/10/68/198091068.db2.gz VHGHIXPVRGWWTL-OAHLLOKOSA-N 0 3 313.445 3.248 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000173580057 198230063 /nfs/dbraw/zinc/23/00/63/198230063.db2.gz ZGCGDZDBZAQONK-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000174009163 198280225 /nfs/dbraw/zinc/28/02/25/198280225.db2.gz RCQGYJQTBYTYKN-PBHICJAKSA-N 0 3 305.381 3.014 20 30 DGEDHN CCOCc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174263957 198311788 /nfs/dbraw/zinc/31/17/88/198311788.db2.gz ALVGPDDJSHCQEM-UHFFFAOYSA-N 0 3 310.397 3.393 20 30 DGEDHN Cc1cc(F)ccc1N1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000174406227 198330551 /nfs/dbraw/zinc/33/05/51/198330551.db2.gz STVZXQZIXJGDCP-OAHLLOKOSA-N 0 3 313.376 3.357 20 30 DGEDHN N#CCSCCCN1CCC2(CC1)OCCc1ccsc12 ZINC000352784831 283053657 /nfs/dbraw/zinc/05/36/57/283053657.db2.gz QZUBWVSDWGNLQH-UHFFFAOYSA-N 0 3 322.499 3.259 20 30 DGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000428954590 283075079 /nfs/dbraw/zinc/07/50/79/283075079.db2.gz MKQGNRILCNMMTK-ZTFGCOKTSA-N 0 3 302.393 3.213 20 30 DGEDHN Cc1cccc(C(C)(C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000179591844 432063934 /nfs/dbraw/zinc/06/39/34/432063934.db2.gz RWELEZZKPGXBCE-UHFFFAOYSA-N 0 3 307.397 3.330 20 30 DGEDHN N#Cc1ccccc1OCCN[C@H](CCCO)c1ccccc1 ZINC000179759834 199077115 /nfs/dbraw/zinc/07/71/15/199077115.db2.gz KIFUFVDAJGVEBV-GOSISDBHSA-N 0 3 310.397 3.040 20 30 DGEDHN COCCCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187697830 200146157 /nfs/dbraw/zinc/14/61/57/200146157.db2.gz BWLFTSAUERTFBJ-HNNXBMFYSA-N 0 3 302.418 3.137 20 30 DGEDHN CCN1CCN(c2cccc(NCc3ccc(C#N)cc3)c2)CC1 ZINC000190009173 200473686 /nfs/dbraw/zinc/47/36/86/200473686.db2.gz ATNUHYFNUHLOTO-UHFFFAOYSA-N 0 3 320.440 3.312 20 30 DGEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)s1 ZINC000428542976 238024938 /nfs/dbraw/zinc/02/49/38/238024938.db2.gz RUFQDIPJZPBEOI-SJORKVTESA-N 0 3 316.401 3.015 20 30 DGEDHN Cc1cccc([C@H](C)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428778473 238031248 /nfs/dbraw/zinc/03/12/48/238031248.db2.gz AEIZAEKDIPNQLB-MAUKXSAKSA-N 0 3 307.397 3.476 20 30 DGEDHN CN1CCC[C@@H](CNCc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000246060894 432090969 /nfs/dbraw/zinc/09/09/69/432090969.db2.gz DIBBJPIRORKHML-GUYCJALGSA-N 0 3 315.442 3.385 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1cccc(F)c1 ZINC000433166569 238148883 /nfs/dbraw/zinc/14/88/83/238148883.db2.gz KXLPTXJQTUPZKB-QGZVFWFLSA-N 0 3 310.372 3.257 20 30 DGEDHN C[C@@H](c1cccnc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311390 238154993 /nfs/dbraw/zinc/15/49/93/238154993.db2.gz LZBJHKDTNKYLGL-RDJZCZTQSA-N 0 3 307.397 3.374 20 30 DGEDHN C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)c(F)c1 ZINC000271985120 209360912 /nfs/dbraw/zinc/36/09/12/209360912.db2.gz XYKWCGKUUMXXRM-XJKSGUPXSA-N 0 3 310.376 3.022 20 30 DGEDHN COc1cccc([C@@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271969324 209347431 /nfs/dbraw/zinc/34/74/31/209347431.db2.gz UAMOFEUEDSDWHB-XIKOKIGWSA-N 0 3 314.360 3.090 20 30 DGEDHN COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271966551 209346544 /nfs/dbraw/zinc/34/65/44/209346544.db2.gz VNZLACYALZRZIX-SGTLLEGYSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@H](NC[C@]1(O)CCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271924269 209327831 /nfs/dbraw/zinc/32/78/31/209327831.db2.gz FYNMFHBCYFTPRT-ORAYPTAESA-N 0 3 310.372 3.182 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000435044044 238268544 /nfs/dbraw/zinc/26/85/44/238268544.db2.gz DJVJSWSJOZCAJP-UHFFFAOYSA-N 0 3 319.408 3.290 20 30 DGEDHN CCOc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292774872 223240195 /nfs/dbraw/zinc/24/01/95/223240195.db2.gz KVECBFNBGBVGBA-GOSISDBHSA-N 0 3 323.396 3.005 20 30 DGEDHN CCCO[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000135063819 432095882 /nfs/dbraw/zinc/09/58/82/432095882.db2.gz GKGFPJITKSJRMY-KRWDZBQOSA-N 0 3 302.418 3.348 20 30 DGEDHN CN(CCCOCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000281475456 216327021 /nfs/dbraw/zinc/32/70/21/216327021.db2.gz SAYNIHQPFAYLLW-FQEVSTJZSA-N 0 3 324.424 3.130 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000194563087 201252473 /nfs/dbraw/zinc/25/24/73/201252473.db2.gz AXEUTHWVTDFYKO-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN COCCCOc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442777738 239123116 /nfs/dbraw/zinc/12/31/16/239123116.db2.gz AAPYFZBKIOTGFC-WBVHZDCISA-N 0 3 302.418 3.192 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000442793768 239126025 /nfs/dbraw/zinc/12/60/25/239126025.db2.gz RZQNZOMGAULGML-QAPCUYQASA-N 0 3 320.396 3.116 20 30 DGEDHN COc1cccc(O[C@@H](C)CNCc2ccc(C#N)c(C)c2)c1 ZINC000443998961 239247326 /nfs/dbraw/zinc/24/73/26/239247326.db2.gz BBMWZUKXHVSHIN-HNNXBMFYSA-N 0 3 310.397 3.432 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(C#N)cs2)C1 ZINC000195195800 201356079 /nfs/dbraw/zinc/35/60/79/201356079.db2.gz XKGSPGAXGXMYMK-INIZCTEOSA-N 0 3 306.431 3.031 20 30 DGEDHN COCCN(CCN(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000444251941 239273250 /nfs/dbraw/zinc/27/32/50/239273250.db2.gz USAROYWIOITTGW-UHFFFAOYSA-N 0 3 323.440 3.143 20 30 DGEDHN Cn1c2ccccc2nc1CCNC1(c2cccc(C#N)c2)CC1 ZINC000271823627 209245691 /nfs/dbraw/zinc/24/56/91/209245691.db2.gz SNLPEJXNEHHEOT-UHFFFAOYSA-N 0 3 316.408 3.266 20 30 DGEDHN COC(=O)[C@@](C)(CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000189943781 432106773 /nfs/dbraw/zinc/10/67/73/432106773.db2.gz ZBYKMMLRHLFPTF-YWZLYKJASA-N 0 3 322.408 3.340 20 30 DGEDHN C[C@@H](NC[C@@H]1COCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450715536 240831762 /nfs/dbraw/zinc/83/17/62/240831762.db2.gz IPADPZSVFWSBSV-FOIQADDNSA-N 0 3 322.408 3.291 20 30 DGEDHN C=CCC1(C(=O)NCCCN2CCCO[C@@H](C)C2)CCCCC1 ZINC000451186978 241037338 /nfs/dbraw/zinc/03/73/38/241037338.db2.gz CEMQZVGFAGFIQR-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1=O ZINC000451354788 241093119 /nfs/dbraw/zinc/09/31/19/241093119.db2.gz ODUHYAAXDBKSOZ-HZPDHXFCSA-N 0 3 322.811 3.307 20 30 DGEDHN N#Cc1ccc(CN[C@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451616582 241190409 /nfs/dbraw/zinc/19/04/09/241190409.db2.gz RZVMPFSITGNAII-WBVHZDCISA-N 0 3 304.821 3.098 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@]2(CCSC2)C1 ZINC000451962875 241286166 /nfs/dbraw/zinc/28/61/66/241286166.db2.gz GIWUVRMPQFPYRH-QGZVFWFLSA-N 0 3 302.443 3.286 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)c1 ZINC000181031930 432111299 /nfs/dbraw/zinc/11/12/99/432111299.db2.gz WDEDSUHQGYLASN-OAHLLOKOSA-N 0 3 322.412 3.200 20 30 DGEDHN C=CCC1(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CCCC1 ZINC000454815469 242040868 /nfs/dbraw/zinc/04/08/68/242040868.db2.gz MXAVIEHUQQRIJK-OAHLLOKOSA-N 0 3 305.466 3.073 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000268632238 432113746 /nfs/dbraw/zinc/11/37/46/432113746.db2.gz KVZSYQOMFJUIHL-WMLDXEAASA-N 0 3 305.418 3.168 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000268646806 432114202 /nfs/dbraw/zinc/11/42/02/432114202.db2.gz FRBJKFIEVBKZLO-HNNXBMFYSA-N 0 3 312.335 3.256 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000459008780 243225993 /nfs/dbraw/zinc/22/59/93/243225993.db2.gz UPCCNUUOQXXLBF-OAHLLOKOSA-N 0 3 309.841 3.208 20 30 DGEDHN C=CCN(CCCc1nc(C)no1)Cc1ccc(OC)cc1 ZINC000268682783 432119246 /nfs/dbraw/zinc/11/92/46/432119246.db2.gz OWDFXRVWIPLQSI-UHFFFAOYSA-N 0 3 301.390 3.007 20 30 DGEDHN C=CCC[C@@H](C(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000275091944 212116175 /nfs/dbraw/zinc/11/61/75/212116175.db2.gz CJRITELHGSKUIZ-GOSISDBHSA-N 0 3 300.446 3.337 20 30 DGEDHN CC(C#N)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000470739256 244186272 /nfs/dbraw/zinc/18/62/72/244186272.db2.gz ZUQWGXPCYDFUFF-NXEZZACHSA-N 0 3 315.200 3.379 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000471980333 244273862 /nfs/dbraw/zinc/27/38/62/244273862.db2.gz UXZYHWHZSBFWDE-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000341649016 296142748 /nfs/dbraw/zinc/14/27/48/296142748.db2.gz YORYERBNRPNKLY-RDTXWAMCSA-N 0 3 321.424 3.041 20 30 DGEDHN Cc1cc(CN(C)CCCC(=O)OC(C)(C)C)ccc1C#N ZINC000488449073 245194787 /nfs/dbraw/zinc/19/47/87/245194787.db2.gz OPXKKSGADLWLIK-UHFFFAOYSA-N 0 3 302.418 3.420 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000488563212 245211560 /nfs/dbraw/zinc/21/15/60/245211560.db2.gz OZPXACLQCFTDFA-LJQANCHMSA-N 0 3 323.440 3.241 20 30 DGEDHN C=CCn1cccc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000488975205 245256996 /nfs/dbraw/zinc/25/69/96/245256996.db2.gz DVHRPSSVSTXXNL-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN CC(C)N1CCN(c2cccc(NCc3ccc(C#N)o3)c2)CC1 ZINC000125782481 284284167 /nfs/dbraw/zinc/28/41/67/284284167.db2.gz JNJZDEBQQFVTSC-UHFFFAOYSA-N 0 3 324.428 3.294 20 30 DGEDHN COc1cccc(N2CC[C@@H](N[C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000266468400 205369902 /nfs/dbraw/zinc/36/99/02/205369902.db2.gz NLYGMRDMIAMFKX-CRAIPNDOSA-N 0 3 321.424 3.496 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cc(C#N)ccn1 ZINC000288475239 220166029 /nfs/dbraw/zinc/16/60/29/220166029.db2.gz QQIUDKGPBZXORR-MAUKXSAKSA-N 0 3 306.413 3.276 20 30 DGEDHN COc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)c(C)c1OC ZINC000288482956 220171164 /nfs/dbraw/zinc/17/11/64/220171164.db2.gz PXZWKBRDRGLOEM-CYBMUJFWSA-N 0 3 313.401 3.073 20 30 DGEDHN N#Cc1ccc(NCC2CCN(Cc3cccs3)CC2)cn1 ZINC000267362201 206010219 /nfs/dbraw/zinc/01/02/19/206010219.db2.gz IGIYOUIBJHXFQZ-UHFFFAOYSA-N 0 3 312.442 3.339 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCCC(F)(F)F)CC1 ZINC000494805533 246195382 /nfs/dbraw/zinc/19/53/82/246195382.db2.gz URCMLGRUXMCEEQ-GFCCVEGCSA-N 0 3 321.387 3.057 20 30 DGEDHN C[C@@H]1C[C@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000267527196 206125922 /nfs/dbraw/zinc/12/59/22/206125922.db2.gz TUSYEPHXPVRZMU-NVXWUHKLSA-N 0 3 306.413 3.418 20 30 DGEDHN C=CC[C@@H](C)N[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495617639 246286878 /nfs/dbraw/zinc/28/68/78/246286878.db2.gz JFTOBYUNTROBAH-CHWSQXEVSA-N 0 3 305.422 3.466 20 30 DGEDHN C[C@@H](NCCCCC#N)c1cnccc1NC(=O)OC(C)(C)C ZINC000495617697 246287868 /nfs/dbraw/zinc/28/78/68/246287868.db2.gz JIWWNHNTSDBEPK-CYBMUJFWSA-N 0 3 318.421 3.195 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(OC)cc1)C(C)C ZINC000496014417 246341279 /nfs/dbraw/zinc/34/12/79/246341279.db2.gz OTQGEOICVKOXQM-GOSISDBHSA-N 0 3 316.445 3.124 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cccc(F)c1)C(C)C ZINC000496031519 246342955 /nfs/dbraw/zinc/34/29/55/246342955.db2.gz ZCUSNNDSTVHSHK-SFHVURJKSA-N 0 3 318.436 3.183 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3F)C2)cc1 ZINC000136126823 284495164 /nfs/dbraw/zinc/49/51/64/284495164.db2.gz WRULXJKBLVTRNZ-QGZVFWFLSA-N 0 3 309.388 3.456 20 30 DGEDHN C=CCCCc1nc(-c2ccccc2OCCN(C)C)no1 ZINC000273892576 211150535 /nfs/dbraw/zinc/15/05/35/211150535.db2.gz OSEHPBHFDVLFEJ-UHFFFAOYSA-N 0 3 301.390 3.186 20 30 DGEDHN C[C@@H](c1cccc(O)c1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000109782422 194284860 /nfs/dbraw/zinc/28/48/60/194284860.db2.gz ZGDYVYIBVCKRFR-AWEZNQCLSA-N 0 3 323.396 3.285 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)NCCOCCOC)cc1 ZINC000268802989 206970300 /nfs/dbraw/zinc/97/03/00/206970300.db2.gz KUYMLYDYCWNHKF-AWEZNQCLSA-N 0 3 313.825 3.132 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@@](C)(O)c2ccsc2)cc1 ZINC000269074017 207222075 /nfs/dbraw/zinc/22/20/75/207222075.db2.gz XRWOOFCQTKTVGN-KBXCAEBGSA-N 0 3 315.438 3.318 20 30 DGEDHN CO[C@@](C)([C@H](C)NCc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000411943995 533018280 /nfs/dbraw/zinc/01/82/80/533018280.db2.gz JHGSFDKNANWYSM-GTNSWQLSSA-N 0 3 324.371 3.453 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COCc1ccccc1 ZINC000249450537 285074501 /nfs/dbraw/zinc/07/45/01/285074501.db2.gz MDGACHFPQQNIIG-OXQOHEQNSA-N 0 3 324.424 3.129 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)C1CCCCC1 ZINC000337849969 253183366 /nfs/dbraw/zinc/18/33/66/253183366.db2.gz FKDKXPCDLFYVBS-UHFFFAOYSA-N 0 3 313.445 3.203 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000338156205 253233111 /nfs/dbraw/zinc/23/31/11/253233111.db2.gz SGIZDMPDZIIHIK-UHFFFAOYSA-N 0 3 313.445 3.059 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cc2cccc(C#N)c2F)C1 ZINC000338186336 253238532 /nfs/dbraw/zinc/23/85/32/253238532.db2.gz AHAAQKHAXHAEKR-PILAGYSTSA-N 0 3 316.420 3.459 20 30 DGEDHN C=CCOc1ccc(CN2CCC(CCCO)CC2)cc1OC ZINC000272935598 210322847 /nfs/dbraw/zinc/32/28/47/210322847.db2.gz LCYZUPYBPBBXQX-UHFFFAOYSA-N 0 3 319.445 3.245 20 30 DGEDHN N#Cc1cccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288748033 220389203 /nfs/dbraw/zinc/38/92/03/220389203.db2.gz HVDWUJOYNTWOEN-HXUWFJFHSA-N 0 3 324.399 3.124 20 30 DGEDHN COc1cccc(C[C@@H](C)NC2(c3cccc(C#N)c3)CC2)n1 ZINC000342792883 254051692 /nfs/dbraw/zinc/05/16/92/254051692.db2.gz QERHDCQQZRCHAJ-CQSZACIVSA-N 0 3 307.397 3.172 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)cc1F)N1CCc2ccccc21 ZINC000343154319 254107010 /nfs/dbraw/zinc/10/70/10/254107010.db2.gz QNJZWWMTTHOGKA-CQSZACIVSA-N 0 3 309.388 3.238 20 30 DGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)[nH]1 ZINC000157395431 197184269 /nfs/dbraw/zinc/18/42/69/197184269.db2.gz XCSQYSGFMGBVLC-UHFFFAOYSA-N 0 3 308.385 3.125 20 30 DGEDHN Cc1cc(C#N)nc(N[C@@H](C)[C@H](c2ccccc2C)N(C)C)n1 ZINC000343802847 254191035 /nfs/dbraw/zinc/19/10/35/254191035.db2.gz FMXSGUFDRCVRRE-WMLDXEAASA-N 0 3 309.417 3.068 20 30 DGEDHN N#Cc1ccc(CNCCCOc2ccc(F)cc2)c(F)c1 ZINC000343855400 254196707 /nfs/dbraw/zinc/19/67/07/254196707.db2.gz ROISECKLQZYXDP-UHFFFAOYSA-N 0 3 302.324 3.395 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C2CC2)C1 ZINC000344121749 254228580 /nfs/dbraw/zinc/22/85/80/254228580.db2.gz VAKACSFNBQRCAZ-INIZCTEOSA-N 0 3 300.402 3.068 20 30 DGEDHN Cc1oc(C#N)cc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000345695507 254388409 /nfs/dbraw/zinc/38/84/09/254388409.db2.gz MIWWWWRASRZUCZ-UHFFFAOYSA-N 0 3 308.341 3.238 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C2CC2)C1 ZINC000344020702 533169992 /nfs/dbraw/zinc/16/99/92/533169992.db2.gz PADGSVWOIZDFHD-HLCARVAJSA-N 0 3 317.477 3.038 20 30 DGEDHN C#CC[C@@H](NCCc1nc2ccccc2n1C)c1ccccc1 ZINC000271649747 209093837 /nfs/dbraw/zinc/09/38/37/209093837.db2.gz AYXYCIGYWQGNJH-QGZVFWFLSA-N 0 3 303.409 3.470 20 30 DGEDHN COc1ccc([C@H](Cc2ccccc2)NC(=O)C(C)C#N)cc1 ZINC000359438382 533189761 /nfs/dbraw/zinc/18/97/61/533189761.db2.gz ZIGQDLVUTHPEPT-KSSFIOAISA-N 0 3 308.381 3.255 20 30 DGEDHN C#CCSCCNCc1ccccc1OCc1cccnc1 ZINC000152952933 196838731 /nfs/dbraw/zinc/83/87/31/196838731.db2.gz VVLNXMADWWOJPN-UHFFFAOYSA-N 0 3 312.438 3.117 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCN(C2CCCCC2)CC1 ZINC000157198812 533269469 /nfs/dbraw/zinc/26/94/69/533269469.db2.gz QLZIELPCIZAIFU-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN COc1ccc2c(c1OC)CCN(CC(C)(C)CCC#N)C2 ZINC000354910391 533321264 /nfs/dbraw/zinc/32/12/64/533321264.db2.gz UUWQLCBKUOQILD-UHFFFAOYSA-N 0 3 302.418 3.392 20 30 DGEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H](O)c1ccc(F)cc1 ZINC000126998521 533330415 /nfs/dbraw/zinc/33/04/15/533330415.db2.gz KRWBIVJUYNBJDJ-ZIQQEGCCSA-N 0 3 324.399 3.461 20 30 DGEDHN C[C@@H](NCc1ccc(Cl)nc1)c1ccc(OCC#N)cc1 ZINC000177577186 533445659 /nfs/dbraw/zinc/44/56/59/533445659.db2.gz ZEKPVMDBZBGMCC-GFCCVEGCSA-N 0 3 301.777 3.488 20 30 DGEDHN C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000181796685 533439173 /nfs/dbraw/zinc/43/91/73/533439173.db2.gz HLYYSQDJVYKXLT-DYVFJYSZSA-N 0 3 316.426 3.209 20 30 DGEDHN COc1ccc(CCN(Cc2ccccc2)C(=O)C(C)C#N)cc1 ZINC000345993982 533478622 /nfs/dbraw/zinc/47/86/22/533478622.db2.gz HTFRCWXRCBZDKG-INIZCTEOSA-N 0 3 322.408 3.426 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000471902369 533509000 /nfs/dbraw/zinc/50/90/00/533509000.db2.gz YSJZKDTYJRBEAB-KRWDZBQOSA-N 0 3 313.445 3.011 20 30 DGEDHN COc1cc(C)c(C[C@H](C)N[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000337497153 533575244 /nfs/dbraw/zinc/57/52/44/533575244.db2.gz JKWIVGYKVZYQPY-SQWLQELKSA-N 0 3 302.418 3.225 20 30 DGEDHN COC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000595055773 400091661 /nfs/dbraw/zinc/09/16/61/400091661.db2.gz JCLSYMZXPKLHSV-GOSISDBHSA-N 0 3 316.351 3.356 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC(C3CCCC3)CC2)CC1 ZINC000608672512 400102840 /nfs/dbraw/zinc/10/28/40/400102840.db2.gz MBMYYYSRPQOQMN-UHFFFAOYSA-N 0 3 319.493 3.249 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cccc(C#N)c1 ZINC000066726726 400112653 /nfs/dbraw/zinc/11/26/53/400112653.db2.gz BKIIYRWRGBILAH-UHFFFAOYSA-N 0 3 321.424 3.282 20 30 DGEDHN CNCc1cccc(NC(=O)NC(C)(C)c2cccc(C#N)c2)c1 ZINC000595237150 400112777 /nfs/dbraw/zinc/11/27/77/400112777.db2.gz YIKCAVALXVNRMP-UHFFFAOYSA-N 0 3 322.412 3.334 20 30 DGEDHN CCCN(CC(=O)Nc1ccccc1SCC#N)C(C)C ZINC000581734479 400082284 /nfs/dbraw/zinc/08/22/84/400082284.db2.gz MHCWEARZNKTQRZ-UHFFFAOYSA-N 0 3 305.447 3.361 20 30 DGEDHN N#Cc1ccc(CNC2(CCO)CCCC2)c(Br)c1 ZINC000595509891 400173487 /nfs/dbraw/zinc/17/34/87/400173487.db2.gz YEQVVSPXJIXJOC-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](c2ccco2)C1 ZINC000609539782 400174606 /nfs/dbraw/zinc/17/46/06/400174606.db2.gz COXKFNOCMJGEIR-ZDUSSCGKSA-N 0 3 315.398 3.031 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000609631689 400182842 /nfs/dbraw/zinc/18/28/42/400182842.db2.gz OFFLJSBHZKBKSC-FHLIZLRMSA-N 0 3 311.429 3.397 20 30 DGEDHN CCOC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000091677414 400130644 /nfs/dbraw/zinc/13/06/44/400130644.db2.gz ZNVXZWJLTFELJN-UHFFFAOYSA-N 0 3 302.418 3.370 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000011100231 400139323 /nfs/dbraw/zinc/13/93/23/400139323.db2.gz MYYMDFRJTAYDJD-IEZWGBDMSA-N 0 3 315.461 3.416 20 30 DGEDHN N#Cc1ccc(CCN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000595397232 400140728 /nfs/dbraw/zinc/14/07/28/400140728.db2.gz OYDIUORXJQWRGR-OAQYLSRUSA-N 0 3 318.420 3.275 20 30 DGEDHN CC[C@H](C)[C@H](C)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000609204475 400149507 /nfs/dbraw/zinc/14/95/07/400149507.db2.gz QSCXXVQRMULGDN-GJZGRUSLSA-N 0 3 305.466 3.228 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092094025 400153750 /nfs/dbraw/zinc/15/37/50/400153750.db2.gz QRIDBDXLGKSARQ-ZDUSSCGKSA-N 0 3 306.431 3.175 20 30 DGEDHN CCOC(=O)CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000616767125 400222450 /nfs/dbraw/zinc/22/24/50/400222450.db2.gz RMWUBMPXJUXBGV-UHFFFAOYSA-N 0 3 318.392 3.253 20 30 DGEDHN CN(C)C[C@@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 ZINC000588769744 400229386 /nfs/dbraw/zinc/22/93/86/400229386.db2.gz RPAUNQBBTWRAKB-MRXNPFEDSA-N 0 3 305.397 3.019 20 30 DGEDHN N#Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000026343695 400256490 /nfs/dbraw/zinc/25/64/90/400256490.db2.gz UUVMURDWYJSWCM-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN C=CCC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595780624 400256622 /nfs/dbraw/zinc/25/66/22/400256622.db2.gz WQLNROABOZQSIL-UHFFFAOYSA-N 0 3 317.389 3.036 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000595734302 400245217 /nfs/dbraw/zinc/24/52/17/400245217.db2.gz RCTATSNKDHGCPQ-KZNAEPCWSA-N 0 3 312.413 3.112 20 30 DGEDHN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000595731606 400245230 /nfs/dbraw/zinc/24/52/30/400245230.db2.gz MNWGPAPJLJUAJQ-IPMKNSEASA-N 0 3 311.425 3.092 20 30 DGEDHN COc1cccc([C@]2(C)CCN(Cc3ccnc(C#N)c3)C2)c1 ZINC000595765349 400252963 /nfs/dbraw/zinc/25/29/63/400252963.db2.gz JQBMENQACLKJCS-LJQANCHMSA-N 0 3 307.397 3.125 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000595608915 400202621 /nfs/dbraw/zinc/20/26/21/400202621.db2.gz BSWIDDPIBCYMRG-APWZRJJASA-N 0 3 324.424 3.205 20 30 DGEDHN CC(C)c1ccccc1OC[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595608994 400203161 /nfs/dbraw/zinc/20/31/61/400203161.db2.gz DMEZVKHIMZZYSQ-IAGOWNOFSA-N 0 3 316.445 3.175 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3)CC2)c(F)c1 ZINC000022808183 400204435 /nfs/dbraw/zinc/20/44/35/400204435.db2.gz ZTOGYVUCMDUJPF-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000595611579 400204748 /nfs/dbraw/zinc/20/47/48/400204748.db2.gz LKIXIYOLXHFDMG-CYBMUJFWSA-N 0 3 305.809 3.294 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(c2ccco2)CC1 ZINC000595613654 400205921 /nfs/dbraw/zinc/20/59/21/400205921.db2.gz CVXQLJPKPWYQDQ-UHFFFAOYSA-N 0 3 323.396 3.359 20 30 DGEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000610001909 400206334 /nfs/dbraw/zinc/20/63/34/400206334.db2.gz LHBMRHGSWAJNHQ-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000595612518 400206833 /nfs/dbraw/zinc/20/68/33/400206833.db2.gz XSPHNHBYXSVPTH-ZDUSSCGKSA-N 0 3 305.809 3.294 20 30 DGEDHN COc1ccccc1[C@@H](CNc1cnccc1C#N)N1CCCC1 ZINC000094131827 400269752 /nfs/dbraw/zinc/26/97/52/400269752.db2.gz NKSVTGFSZNYBFP-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)C1CCC(F)CC1 ZINC000595820790 400270023 /nfs/dbraw/zinc/27/00/23/400270023.db2.gz WMOQASORUYUGFO-GRTSSRMGSA-N 0 3 303.381 3.003 20 30 DGEDHN N#Cc1ccncc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000094151984 400270557 /nfs/dbraw/zinc/27/05/57/400270557.db2.gz FNSFDJJXSPVWBJ-CQSZACIVSA-N 0 3 312.442 3.339 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[C@H]2C)CC1 ZINC000106274875 400326182 /nfs/dbraw/zinc/32/61/82/400326182.db2.gz OTAWVUAIYIMQMK-HZPDHXFCSA-N 0 3 307.482 3.152 20 30 DGEDHN COc1ccc(CN2CC[C@H](N(C)c3ccccc3)C2)cc1C#N ZINC000595828667 400272299 /nfs/dbraw/zinc/27/22/99/400272299.db2.gz VBARKOIXFGVUCR-IBGZPJMESA-N 0 3 321.424 3.278 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc([S@](C)=O)cc2)c1 ZINC000610575132 400276568 /nfs/dbraw/zinc/27/65/68/400276568.db2.gz FWNZHSWHUNRITJ-QFIPXVFZSA-N 0 3 315.438 3.279 20 30 DGEDHN CCCCC[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000595872445 400283465 /nfs/dbraw/zinc/28/34/65/400283465.db2.gz TXJBQERMGHXPAB-QGZVFWFLSA-N 0 3 318.465 3.077 20 30 DGEDHN CC(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H](O)C(F)(F)F ZINC000601301302 400286303 /nfs/dbraw/zinc/28/63/03/400286303.db2.gz XNGONIJUMNRDCN-ILXRZTDVSA-N 0 3 312.335 3.083 20 30 DGEDHN C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)[C@H](N)c1ccccc1 ZINC000595959155 400296844 /nfs/dbraw/zinc/29/68/44/400296844.db2.gz AKZZKDCGLXUSRL-KSSFIOAISA-N 0 3 321.424 3.246 20 30 DGEDHN CCOc1ccc(Cl)cc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000610813017 400310419 /nfs/dbraw/zinc/31/04/19/400310419.db2.gz VKZVDTFHBCFUJV-CYBMUJFWSA-N 0 3 321.852 3.377 20 30 DGEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1nc2ncccc2cc1C#N ZINC000596086203 400313131 /nfs/dbraw/zinc/31/31/31/400313131.db2.gz VUSNHHGEMXALHB-UONOGXRCSA-N 0 3 309.417 3.034 20 30 DGEDHN CC(C)(C)CCN1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596087824 400314210 /nfs/dbraw/zinc/31/42/10/400314210.db2.gz OQLVETAOLHPLPI-UHFFFAOYSA-N 0 3 323.444 3.060 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000093866050 400259040 /nfs/dbraw/zinc/25/90/40/400259040.db2.gz JTNFLPBSAKELNI-HXUWFJFHSA-N 0 3 322.408 3.137 20 30 DGEDHN COc1ccccc1OCCCNCc1ccc(C#N)cc1F ZINC000610946841 400326711 /nfs/dbraw/zinc/32/67/11/400326711.db2.gz QBZSCTLDPYOHCK-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN Cc1ncc([C@H](C)NCCC(=O)Nc2sccc2C#N)s1 ZINC000601968309 400390411 /nfs/dbraw/zinc/39/04/11/400390411.db2.gz KCUSEWBZOQLKTL-VIFPVBQESA-N 0 3 320.443 3.064 20 30 DGEDHN CCOC(=O)CCN(CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000610953234 400328289 /nfs/dbraw/zinc/32/82/89/400328289.db2.gz SLVPWJFBRFTGPB-UHFFFAOYSA-N 0 3 319.832 3.357 20 30 DGEDHN C=CCOc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000030562261 400328653 /nfs/dbraw/zinc/32/86/53/400328653.db2.gz DDJNUJASRPYFMV-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000069475554 400332707 /nfs/dbraw/zinc/33/27/07/400332707.db2.gz JBWZTCYTYXXICK-IBGZPJMESA-N 0 3 319.408 3.125 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611389480 400391228 /nfs/dbraw/zinc/39/12/28/400391228.db2.gz XBIFIVKLVZTELV-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000611039992 400340196 /nfs/dbraw/zinc/34/01/96/400340196.db2.gz JEGWVRBNTKRWQQ-ZIAGYGMSSA-N 0 3 310.401 3.476 20 30 DGEDHN CN1CCN(c2ccc(Cl)c(C#N)n2)CC12CCCCC2 ZINC000596249976 400360302 /nfs/dbraw/zinc/36/03/02/400360302.db2.gz DULHXWANAMTFDM-UHFFFAOYSA-N 0 3 304.825 3.061 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000611268054 400369589 /nfs/dbraw/zinc/36/95/89/400369589.db2.gz AYDHHLYKBMCUJO-GOSISDBHSA-N 0 3 324.428 3.403 20 30 DGEDHN COc1cccc([C@@H](CNc2nc(C)cc(C)c2C#N)N(C)C)c1 ZINC000072672759 400397244 /nfs/dbraw/zinc/39/72/44/400397244.db2.gz KANQUBKLZYIIOF-GOSISDBHSA-N 0 3 324.428 3.294 20 30 DGEDHN Cn1cc(CN[C@H]2CCC(F)(F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611498331 400411403 /nfs/dbraw/zinc/41/14/03/400411403.db2.gz YHQJSPLSLJJCFT-HNNXBMFYSA-N 0 3 316.355 3.236 20 30 DGEDHN COc1cccc(-c2n[nH]cc2CN2CCC(CC#N)CC2)c1 ZINC000611622853 400430122 /nfs/dbraw/zinc/43/01/22/400430122.db2.gz PUFQZVKELJPLHQ-UHFFFAOYSA-N 0 3 310.401 3.211 20 30 DGEDHN CC1(C)[C@@H](NCc2ccnc(C#N)c2)C[C@@H]1OCc1ccccc1 ZINC000590756662 400428601 /nfs/dbraw/zinc/42/86/01/400428601.db2.gz OWLYRVGXQJLQRA-OALUTQOASA-N 0 3 321.424 3.427 20 30 DGEDHN CC(C)N(CC(=O)Nc1ccc(F)cc1)C[C@@H](C)CCC#N ZINC000602431819 400459205 /nfs/dbraw/zinc/45/92/05/400459205.db2.gz DMAIZLMDBBNUIU-AWEZNQCLSA-N 0 3 305.397 3.414 20 30 DGEDHN CSC1c2cc(-c3noc([C@@H](C)CC#N)n3)ccc2NC1=O ZINC000596585127 400450661 /nfs/dbraw/zinc/45/06/61/400450661.db2.gz ZISSBDKSFRJJKH-UFBFGSQYSA-N 0 3 314.370 3.110 20 30 DGEDHN Cn1ncc2c1CC(C)(C)CN(Cc1ccc(CC#N)cc1)C2 ZINC000596597729 400454387 /nfs/dbraw/zinc/45/43/87/400454387.db2.gz DPGAJISNHILFTO-UHFFFAOYSA-N 0 3 308.429 3.071 20 30 DGEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602569987 400499336 /nfs/dbraw/zinc/49/93/36/400499336.db2.gz FQHLCWZHSOOJNK-OAHLLOKOSA-N 0 3 302.418 3.192 20 30 DGEDHN C[C@@H](CNC(=O)CC1(C#N)CCCCC1)N1CCCC[C@H]1C ZINC000596796293 400501838 /nfs/dbraw/zinc/50/18/38/400501838.db2.gz FKITXWIXFVBBDD-CVEARBPZSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(C)[C@@H](NC[C@H](C)CCC#N)c1nc(-c2cccnc2)no1 ZINC000602594752 400507600 /nfs/dbraw/zinc/50/76/00/400507600.db2.gz SXXGHPFYKQBMKL-UKRRQHHQSA-N 0 3 313.405 3.358 20 30 DGEDHN CC(C)[C@H](NC[C@H](C)CCC#N)c1nc(-c2cccnc2)no1 ZINC000602594750 400507613 /nfs/dbraw/zinc/50/76/13/400507613.db2.gz SXXGHPFYKQBMKL-HIFRSBDPSA-N 0 3 313.405 3.358 20 30 DGEDHN COc1cccc(C[C@H]2CCCN2Cc2cccc(C#N)n2)c1 ZINC000602447454 400465930 /nfs/dbraw/zinc/46/59/30/400465930.db2.gz GUVWXNUKPNTIJW-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN C=CCCSCCNC(=O)Nc1ccccc1CCN(C)C ZINC000596851845 400511403 /nfs/dbraw/zinc/51/14/03/400511403.db2.gz BSOPVVJZZVFFTR-UHFFFAOYSA-N 0 3 321.490 3.222 20 30 DGEDHN CN1CCN(Cc2ccccc2-c2ccc(CC#N)s2)CC1 ZINC000596639248 400468211 /nfs/dbraw/zinc/46/82/11/400468211.db2.gz MVGXLDORHGMBLM-UHFFFAOYSA-N 0 3 311.454 3.229 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H](C4CCC4)C3)o2)cc1 ZINC000591061930 400480664 /nfs/dbraw/zinc/48/06/64/400480664.db2.gz OSCLWLMUXLHGHH-MRXNPFEDSA-N 0 3 308.385 3.230 20 30 DGEDHN Cc1ccc(OCCN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602501048 400481310 /nfs/dbraw/zinc/48/13/10/400481310.db2.gz CWIWLGDKAZCMHM-INIZCTEOSA-N 0 3 302.418 3.062 20 30 DGEDHN Cc1ccc(OCCN[C@@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602505276 400482339 /nfs/dbraw/zinc/48/23/39/400482339.db2.gz WVWBUGPCDZZFRG-KRWDZBQOSA-N 0 3 316.445 3.371 20 30 DGEDHN CSCC[C@H](NC[C@@H](C)CCC#N)c1nnc2ccccn21 ZINC000602510238 400483772 /nfs/dbraw/zinc/48/37/72/400483772.db2.gz FWJPFDAKIXPDTK-KBPBESRZSA-N 0 3 317.462 3.053 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000596710195 400484102 /nfs/dbraw/zinc/48/41/02/400484102.db2.gz XYJVLBSDLAISPN-HNNXBMFYSA-N 0 3 314.433 3.109 20 30 DGEDHN CO[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602518500 400486252 /nfs/dbraw/zinc/48/62/52/400486252.db2.gz OWIBKJQOSLECHV-RDJZCZTQSA-N 0 3 302.418 3.063 20 30 DGEDHN Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@H](N)CCCC#N ZINC000602523879 400487528 /nfs/dbraw/zinc/48/75/28/400487528.db2.gz HPWIANZBYZNIRX-GOSISDBHSA-N 0 3 315.461 3.309 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618352583 400571692 /nfs/dbraw/zinc/57/16/92/400571692.db2.gz QWLPVKLBHHBDND-QUCCMNQESA-N 0 3 314.473 3.364 20 30 DGEDHN COCCCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000597173562 400576110 /nfs/dbraw/zinc/57/61/10/400576110.db2.gz JZXBDJCAJYICJO-INIZCTEOSA-N 0 3 302.418 3.228 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000602626915 400516640 /nfs/dbraw/zinc/51/66/40/400516640.db2.gz BBCJDYBWGVGERM-XJKSGUPXSA-N 0 3 318.392 3.338 20 30 DGEDHN COCCC[C@@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602650092 400523911 /nfs/dbraw/zinc/52/39/11/400523911.db2.gz RRTBNYXIKXKKOQ-KRWDZBQOSA-N 0 3 309.413 3.081 20 30 DGEDHN CCC[C@@H](CN1CCC(Oc2ccc(C#N)cc2F)CC1)OC ZINC000602656273 400527479 /nfs/dbraw/zinc/52/74/79/400527479.db2.gz UPVWSWLWJXJATF-INIZCTEOSA-N 0 3 320.408 3.356 20 30 DGEDHN COc1ccccc1OCCCNCc1ccc(C#N)c(F)c1 ZINC000591503687 400533868 /nfs/dbraw/zinc/53/38/68/400533868.db2.gz BRZNMJMUBAUNBH-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN CCOC(=O)CCN(Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597001418 400537490 /nfs/dbraw/zinc/53/74/90/400537490.db2.gz RZZTYUQNJVYOHF-UHFFFAOYSA-N 0 3 312.413 3.159 20 30 DGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCc2c1cnn2C ZINC000597025249 400542442 /nfs/dbraw/zinc/54/24/42/400542442.db2.gz ANVIGMZTVBDFQQ-SFHVURJKSA-N 0 3 320.440 3.485 20 30 DGEDHN CCN(CCCSCC#N)Cc1ccc(OC)c(OC)c1 ZINC000074980902 400551298 /nfs/dbraw/zinc/55/12/98/400551298.db2.gz BPIUATVWWVIKKS-UHFFFAOYSA-N 0 3 308.447 3.173 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCCC(=O)Nc1cccc(F)c1 ZINC000591763827 400554912 /nfs/dbraw/zinc/55/49/12/400554912.db2.gz LCYASRMKUALFBR-SFHVURJKSA-N 0 3 323.371 3.303 20 30 DGEDHN COc1ccc(OC2CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000602763182 400566162 /nfs/dbraw/zinc/56/61/62/400566162.db2.gz BTDOWHGRAHIIPY-UHFFFAOYSA-N 0 3 300.402 3.232 20 30 DGEDHN N#Cc1cccc(OCCCN2CC[C@@H](c3cccnc3)C2)c1 ZINC000592140204 400613454 /nfs/dbraw/zinc/61/34/54/400613454.db2.gz SZZZITDPINPGFK-GOSISDBHSA-N 0 3 307.397 3.212 20 30 DGEDHN Cc1ncc([C@H](C)NCCCOc2cccc(C#N)c2)s1 ZINC000602958502 400614446 /nfs/dbraw/zinc/61/44/46/400614446.db2.gz XWOMBMYVRJISSI-LBPRGKRZSA-N 0 3 301.415 3.443 20 30 DGEDHN N#CCc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000140496061 400619272 /nfs/dbraw/zinc/61/92/72/400619272.db2.gz KWOVGVYQDYLCCR-UHFFFAOYSA-N 0 3 306.413 3.224 20 30 DGEDHN COc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1OC(F)F ZINC000618562215 400623182 /nfs/dbraw/zinc/62/31/82/400623182.db2.gz NSLFOQVUYFLDTG-DGCLKSJQSA-N 0 3 310.344 3.469 20 30 DGEDHN C[C@@H](CC#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000597402535 400624997 /nfs/dbraw/zinc/62/49/97/400624997.db2.gz CTQWDGIKWXKDFE-HNNXBMFYSA-N 0 3 315.417 3.040 20 30 DGEDHN C=C[C@H](S[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)OC ZINC000592354454 400637565 /nfs/dbraw/zinc/63/75/65/400637565.db2.gz CESQHLZDQQGZBN-CVEARBPZSA-N 0 3 305.443 3.112 20 30 DGEDHN N#Cc1ccsc1NC(=O)CN(C1CC1)C1CCCCC1 ZINC000048008854 400638956 /nfs/dbraw/zinc/63/89/56/400638956.db2.gz YUVSZMWUYVAHIG-UHFFFAOYSA-N 0 3 303.431 3.355 20 30 DGEDHN COc1cccc(C2(NCC3(CC#N)CC3)CCOCC2)c1F ZINC000602817536 400582670 /nfs/dbraw/zinc/58/26/70/400582670.db2.gz JDKDBDOYTUXUDA-UHFFFAOYSA-N 0 3 318.392 3.123 20 30 DGEDHN N#CCC1(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)CC1 ZINC000602822914 400584475 /nfs/dbraw/zinc/58/44/75/400584475.db2.gz GYRGBQBODGYVCW-KRWDZBQOSA-N 0 3 304.821 3.325 20 30 DGEDHN CC1(C)CCN(Cc2cnc3c(C#N)cnn3c2)CC(C)(C)C1 ZINC000597205677 400587167 /nfs/dbraw/zinc/58/71/67/400587167.db2.gz OJPSZMXSHWVHOI-UHFFFAOYSA-N 0 3 311.433 3.249 20 30 DGEDHN Cc1cnc(CCN(C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000592123632 400608954 /nfs/dbraw/zinc/60/89/54/400608954.db2.gz WKAZRNKSDWPRIR-UHFFFAOYSA-N 0 3 323.440 3.261 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597574309 400648291 /nfs/dbraw/zinc/64/82/91/400648291.db2.gz OZYGLNFZMUXRDH-UHFFFAOYSA-N 0 3 305.466 3.089 20 30 DGEDHN CN(C)[C@H](CNc1snc(Cl)c1C#N)c1ccccc1 ZINC000076429490 400654468 /nfs/dbraw/zinc/65/44/68/400654468.db2.gz QJXNVAUYQUHNAW-GFCCVEGCSA-N 0 3 306.822 3.383 20 30 DGEDHN COCCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742328 400679996 /nfs/dbraw/zinc/67/99/96/400679996.db2.gz WXMDXFZAEWMVND-FQEVSTJZSA-N 0 3 322.408 3.361 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000158452397 400723810 /nfs/dbraw/zinc/72/38/10/400723810.db2.gz DZIDIPAOJHUIAT-NVXWUHKLSA-N 0 3 305.466 3.086 20 30 DGEDHN N#CC1(NC(=O)CN2CCC[C@@H]2C2CCCCC2)CCCCC1 ZINC000603856274 400724025 /nfs/dbraw/zinc/72/40/25/400724025.db2.gz IQROKFDDMBRMFE-QGZVFWFLSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](CC)C2)CC1 ZINC000077567003 400727465 /nfs/dbraw/zinc/72/74/65/400727465.db2.gz UIRIXDJTXQVGMT-WBVHZDCISA-N 0 3 307.482 3.295 20 30 DGEDHN N#Cc1ccsc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593003127 400730572 /nfs/dbraw/zinc/73/05/72/400730572.db2.gz KPBMNCKRPAQQGT-UWVGGRQHSA-N 0 3 318.320 3.306 20 30 DGEDHN Cc1oc(NC(=O)[C@H](C)NC2(C3CCC3)CC2)c(C#N)c1C ZINC000593079225 400755999 /nfs/dbraw/zinc/75/59/99/400755999.db2.gz DMGJJZKWFUECCE-NSHDSACASA-N 0 3 301.390 3.017 20 30 DGEDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000051053333 400693191 /nfs/dbraw/zinc/69/31/91/400693191.db2.gz JQYAVCMOMDSSQD-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@H]1CCCCN1CCNc1c(C#N)nnc2ccccc21 ZINC000077224194 400698010 /nfs/dbraw/zinc/69/80/10/400698010.db2.gz KPWXPLAMVSCVHM-AWEZNQCLSA-N 0 3 309.417 3.178 20 30 DGEDHN CC[C@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000597922626 400698761 /nfs/dbraw/zinc/69/87/61/400698761.db2.gz JMWYZLZHVLGQIB-ZWKOTPCHSA-N 0 3 314.429 3.080 20 30 DGEDHN N#CCCC1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000592819011 400705383 /nfs/dbraw/zinc/70/53/83/400705383.db2.gz PRWNSJXYMQNYAD-SFHVURJKSA-N 0 3 317.477 3.326 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(CC)CC1 ZINC000613382602 400707084 /nfs/dbraw/zinc/70/70/84/400707084.db2.gz XFOKBNVIWKJFBM-SFHVURJKSA-N 0 3 303.446 3.277 20 30 DGEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@H]12 ZINC000051765511 400707798 /nfs/dbraw/zinc/70/77/98/400707798.db2.gz XPVNBQNFHYQREA-ZACQAIPSSA-N 0 3 317.477 3.230 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000618892956 400711168 /nfs/dbraw/zinc/71/11/68/400711168.db2.gz TVRSPXUFFLGCIP-RBUKOAKNSA-N 0 3 323.440 3.069 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597993900 400715877 /nfs/dbraw/zinc/71/58/77/400715877.db2.gz DQKCGNHQSDAJQI-ROUUACIJSA-N 0 3 307.397 3.055 20 30 DGEDHN CN1CC[C@H]2[C@H](CCCN2c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613429368 400716717 /nfs/dbraw/zinc/71/67/17/400716717.db2.gz KQNBVSLRWLVFIK-CVEARBPZSA-N 0 3 312.461 3.171 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccoc1C)C(C)C ZINC000618915555 400717318 /nfs/dbraw/zinc/71/73/18/400717318.db2.gz HMCMACHARVXPSQ-QGZVFWFLSA-N 0 3 319.449 3.086 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613734720 400782778 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ZINC000598586520 400837237 /nfs/dbraw/zinc/83/72/37/400837237.db2.gz HQEHVVZQYFFPAX-GJZGRUSLSA-N 0 3 322.474 3.030 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000598586522 400837594 /nfs/dbraw/zinc/83/75/94/400837594.db2.gz HQEHVVZQYFFPAX-LSDHHAIUSA-N 0 3 322.474 3.030 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000598590936 400838267 /nfs/dbraw/zinc/83/82/67/400838267.db2.gz SPDRRWLUMBWADW-OAHLLOKOSA-N 0 3 308.466 3.101 20 30 DGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1OC(F)F ZINC000598603604 400842611 /nfs/dbraw/zinc/84/26/11/400842611.db2.gz XCTMEYIOCTUGAP-NWDGAFQWSA-N 0 3 312.360 3.239 20 30 DGEDHN CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598615441 400844577 /nfs/dbraw/zinc/84/45/77/400844577.db2.gz AXDLTWFPUFJTPE-ZBFHGGJFSA-N 0 3 304.434 3.379 20 30 DGEDHN COc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1Cl ZINC000598622835 400845944 /nfs/dbraw/zinc/84/59/44/400845944.db2.gz RVAGIRFSXZMUOD-CYBMUJFWSA-N 0 3 310.825 3.081 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000598628699 400847042 /nfs/dbraw/zinc/84/70/42/400847042.db2.gz ZCMWYIJTNVLSQE-INIZCTEOSA-N 0 3 304.409 3.338 20 30 DGEDHN N#Cc1ccccc1CN1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000598679695 400857136 /nfs/dbraw/zinc/85/71/36/400857136.db2.gz LCQCAGHJKSYPQC-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(C#N)c(F)c1 ZINC000599058002 400943546 /nfs/dbraw/zinc/94/35/46/400943546.db2.gz HEPKKVYYHGELJR-ACJLOTCBSA-N 0 3 310.372 3.489 20 30 DGEDHN CCC(C)(C)N1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000594020702 400950297 /nfs/dbraw/zinc/95/02/97/400950297.db2.gz LNOIJQZNOCDZCW-UHFFFAOYSA-N 0 3 315.461 3.133 20 30 DGEDHN C=CCCC[C@H](C)N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000182344304 400891988 /nfs/dbraw/zinc/89/19/88/400891988.db2.gz OKJGYWUGGPRNHW-GUYCJALGSA-N 0 3 304.409 3.480 20 30 DGEDHN C=CC[C@H](C)NCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000182214836 400892073 /nfs/dbraw/zinc/89/20/73/400892073.db2.gz IDNRSDADYGMFHD-AWEZNQCLSA-N 0 3 313.401 3.103 20 30 DGEDHN C=C[C@H](Nc1cccc2c1CN(CCC(C)C)C2)C(=O)OC ZINC000619734780 400895693 /nfs/dbraw/zinc/89/56/93/400895693.db2.gz ROXLEPUBRAJLFZ-INIZCTEOSA-N 0 3 302.418 3.188 20 30 DGEDHN CC[C@H](NCC1(CC#N)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000593713111 400897067 /nfs/dbraw/zinc/89/70/67/400897067.db2.gz TXSQZGPXZWGWAH-AWEZNQCLSA-N 0 3 318.417 3.447 20 30 DGEDHN C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccco1 ZINC000593721053 400899149 /nfs/dbraw/zinc/89/91/49/400899149.db2.gz JPRHJVGBRYHXGN-HNNXBMFYSA-N 0 3 309.413 3.466 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CNC1(c2ccccc2)CCCC1 ZINC000183540885 400900983 /nfs/dbraw/zinc/90/09/83/400900983.db2.gz VBLRCKOGGCMRBF-MRXNPFEDSA-N 0 3 313.445 3.054 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000079899795 400905249 /nfs/dbraw/zinc/90/52/49/400905249.db2.gz RBYPRMDVNATFGJ-KSSFIOAISA-N 0 3 319.424 3.121 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000079899792 400905286 /nfs/dbraw/zinc/90/52/86/400905286.db2.gz 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/nfs/dbraw/zinc/05/64/42/401056442.db2.gz JGEDKXMFDSUEEN-QGZVFWFLSA-N 0 3 314.473 3.477 20 30 DGEDHN Cc1ccccc1C(=O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000633703298 401065603 /nfs/dbraw/zinc/06/56/03/401065603.db2.gz SKUBCQMORAIWGS-QGZVFWFLSA-N 0 3 320.392 3.067 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515496 401066026 /nfs/dbraw/zinc/06/60/26/401066026.db2.gz DFNZVNDFVMUFCT-LSDHHAIUSA-N 0 3 322.399 3.445 20 30 DGEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594432841 401067774 /nfs/dbraw/zinc/06/77/74/401067774.db2.gz CARFJDCSJXILQX-WDEREUQCSA-N 0 3 313.854 3.380 20 30 DGEDHN C=CCSCCNCc1cn(-c2ccc(C)cc2)nc1C ZINC000594497482 401080907 /nfs/dbraw/zinc/08/09/07/401080907.db2.gz BYVOPQRAXCSPEL-UHFFFAOYSA-N 0 3 301.459 3.498 20 30 DGEDHN CCC[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599345468 401027464 /nfs/dbraw/zinc/02/74/64/401027464.db2.gz QYTKLXXDIAQXRF-RTBURBONSA-N 0 3 324.424 3.429 20 30 DGEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1C#N 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C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(=O)OC(C)(C)C ZINC000594512393 401089123 /nfs/dbraw/zinc/08/91/23/401089123.db2.gz UHHPXHFDUAHRKL-MLGOLLRUSA-N 0 3 300.402 3.113 20 30 DGEDHN CC(C)[C@@H](CNCc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000594520072 401097885 /nfs/dbraw/zinc/09/78/85/401097885.db2.gz XLBJNMPWTMIJMT-MRXNPFEDSA-N 0 3 302.418 3.262 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(Cc3nc(C4CCC4)no3)CC2)C1 ZINC000599640606 401099327 /nfs/dbraw/zinc/09/93/27/401099327.db2.gz AJEYMTLSTWEJQH-GOEBONIOSA-N 0 3 314.433 3.284 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621157288 401100167 /nfs/dbraw/zinc/10/01/67/401100167.db2.gz SNWSZRWHTDBVMT-HNNXBMFYSA-N 0 3 304.459 3.035 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ncco2)CC1 ZINC000600070715 401174318 /nfs/dbraw/zinc/17/43/18/401174318.db2.gz CRWRISMHCYGIEW-QGZVFWFLSA-N 0 3 323.396 3.153 20 30 DGEDHN O=C(NCC#Cc1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000063914654 401224451 /nfs/dbraw/zinc/22/44/51/401224451.db2.gz ATHXRRCUNCLCRA-UHFFFAOYSA-N 0 3 318.420 3.064 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4[nH]ccc4c3)C2)nc1 ZINC000600161786 401202198 /nfs/dbraw/zinc/20/21/98/401202198.db2.gz MQTPETIWKNJYGL-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN CC(C)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000063618420 401203285 /nfs/dbraw/zinc/20/32/85/401203285.db2.gz IUWSMPCLCRGSRB-HNNXBMFYSA-N 0 3 305.809 3.271 20 30 DGEDHN N#Cc1ccc(CCNCc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000594955633 401205397 /nfs/dbraw/zinc/20/53/97/401205397.db2.gz QKPPVEQJPOAADH-INIZCTEOSA-N 0 3 313.426 3.199 20 30 DGEDHN C=CCCSCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594965689 401211950 /nfs/dbraw/zinc/21/19/50/401211950.db2.gz CESBNNPNSLTVMI-KRWDZBQOSA-N 0 3 307.459 3.253 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H](C)[C@H](CO)C2)ccc1OC ZINC000621736828 401290115 /nfs/dbraw/zinc/29/01/15/401290115.db2.gz HFXJEUOJOCZVSN-RDJZCZTQSA-N 0 3 319.445 3.100 20 30 DGEDHN N#Cc1ccccc1CSCCN[C@@H]1CCCn2nccc21 ZINC000595007142 401228265 /nfs/dbraw/zinc/22/82/65/401228265.db2.gz KAASUKNXSBMKJL-MRXNPFEDSA-N 0 3 312.442 3.113 20 30 DGEDHN CCCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930698 401286314 /nfs/dbraw/zinc/28/63/14/401286314.db2.gz JHBQCOLTUCMSHG-UHFFFAOYSA-N 0 3 301.434 3.029 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC000635531199 401452158 /nfs/dbraw/zinc/45/21/58/401452158.db2.gz QLRASKRFSGYXMN-SREVYHEPSA-N 0 3 312.457 3.332 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCC(C)(C)OC)cc1OC ZINC000623432899 401516503 /nfs/dbraw/zinc/51/65/03/401516503.db2.gz QBJMABHFBVJFFR-UHFFFAOYSA-N 0 3 313.825 3.428 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](CC)[C@@H](C)O)cc1OC ZINC000623540362 401542793 /nfs/dbraw/zinc/54/27/93/401542793.db2.gz WGEPNBPECYXUDX-BXUZGUMPSA-N 0 3 313.825 3.162 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](CC)[C@H](C)O)cc1OC ZINC000623540365 401543030 /nfs/dbraw/zinc/54/30/30/401543030.db2.gz WGEPNBPECYXUDX-SMDDNHRTSA-N 0 3 313.825 3.162 20 30 DGEDHN C=CCCCC[C@@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000624262323 401645235 /nfs/dbraw/zinc/64/52/35/401645235.db2.gz NBWJTDRSAYJHKL-CQSZACIVSA-N 0 3 318.417 3.121 20 30 DGEDHN COCC1(C#N)CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000341999851 292208493 /nfs/dbraw/zinc/20/84/93/292208493.db2.gz YNPANPYKLYECAJ-MRXNPFEDSA-N 0 3 306.450 3.120 20 30 DGEDHN CN(CCOc1ccc(Cl)cc1)Cc1cc(C#N)n(C)c1 ZINC000191178983 165236362 /nfs/dbraw/zinc/23/63/62/165236362.db2.gz GARKECRZIIQOCG-UHFFFAOYSA-N 0 3 303.793 3.061 20 30 DGEDHN Cn1cc(CN[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1C#N ZINC000191613653 165260492 /nfs/dbraw/zinc/26/04/92/165260492.db2.gz MLQIBLNTPFIWIT-RBUKOAKNSA-N 0 3 323.440 3.370 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000192148249 165282875 /nfs/dbraw/zinc/28/28/75/165282875.db2.gz GKMJMLYPDBDTDQ-ZDUSSCGKSA-N 0 3 321.359 3.129 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC(OC2CCCC2)CC1 ZINC000195328578 165365087 /nfs/dbraw/zinc/36/50/87/165365087.db2.gz NOJCUVOLWVTYOM-UHFFFAOYSA-N 0 3 314.429 3.361 20 30 DGEDHN C[C@@H](OC[C@@H](O)CN1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000145651876 287117564 /nfs/dbraw/zinc/11/75/64/287117564.db2.gz AKQWQTRSIHTMDJ-DYVFJYSZSA-N 0 3 322.836 3.014 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc(C)cc2)CC1 ZINC000171715058 432162526 /nfs/dbraw/zinc/16/25/26/432162526.db2.gz LSFYBRIFGBPPMV-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000171722164 432164811 /nfs/dbraw/zinc/16/48/11/432164811.db2.gz MPBTYLJKTSDGFI-UHZVSMRUSA-N 0 3 314.429 3.183 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2Cl)CC1 ZINC000171725034 432165688 /nfs/dbraw/zinc/16/56/88/432165688.db2.gz MOTOIYQKKGZHNF-BQYQJAHWSA-N 0 3 304.821 3.120 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000171739501 432166425 /nfs/dbraw/zinc/16/64/25/432166425.db2.gz SQHKAFDZSPUKNP-CQSZACIVSA-N 0 3 319.424 3.179 20 30 DGEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000171950834 432186053 /nfs/dbraw/zinc/18/60/53/432186053.db2.gz PJYXUDQCJBFOGV-HOTGVXAUSA-N 0 3 301.434 3.300 20 30 DGEDHN COc1ccc(CN(C)[C@H](CCO)c2ccccc2)cc1C#N ZINC000269717687 432202571 /nfs/dbraw/zinc/20/25/71/432202571.db2.gz SNHMVNUKOWMPGG-GOSISDBHSA-N 0 3 310.397 3.122 20 30 DGEDHN COc1ccc(CN[C@@H](C)C[C@H](O)c2cccs2)cc1C#N ZINC000131032222 196133628 /nfs/dbraw/zinc/13/36/28/196133628.db2.gz GLLNTAHVEMYTIE-WFASDCNBSA-N 0 3 316.426 3.230 20 30 DGEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000191126385 432222714 /nfs/dbraw/zinc/22/27/14/432222714.db2.gz CJPZIZMFOTVVSI-SJKOYZFVSA-N 0 3 317.820 3.416 20 30 DGEDHN Cc1cccc([C@@H](O)CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000128082608 227006784 /nfs/dbraw/zinc/00/67/84/227006784.db2.gz KGWAEVQOIISKPC-GPJFCIFZSA-N 0 3 306.409 3.242 20 30 DGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cccc(O)c1 ZINC000181511805 228362307 /nfs/dbraw/zinc/36/23/07/228362307.db2.gz JYJCZWSGNUTFDR-NSHDSACASA-N 0 3 315.398 3.005 20 30 DGEDHN N#CCCCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182834506 228370572 /nfs/dbraw/zinc/37/05/72/228370572.db2.gz AWPQCHAGYFXXPB-LBPRGKRZSA-N 0 3 300.328 3.233 20 30 DGEDHN COCCCOc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185865716 228399593 /nfs/dbraw/zinc/39/95/93/228399593.db2.gz OIYUCCHLENQSEQ-DOTOQJQBSA-N 0 3 302.418 3.274 20 30 DGEDHN COc1cc(C)cc(NC(=O)NCCN2CCC(C)CC2)c1C ZINC000331110588 229018368 /nfs/dbraw/zinc/01/83/68/229018368.db2.gz BNTLSLZCHHJFRO-UHFFFAOYSA-N 0 3 319.449 3.370 20 30 DGEDHN CCOc1nccc(C)c1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000331202775 229022146 /nfs/dbraw/zinc/02/21/46/229022146.db2.gz BRGXRKBGOUXKEC-UKRRQHHQSA-N 0 3 319.449 3.214 20 30 DGEDHN COc1ccc(CN[C@@H]2CCC[C@H]2F)cc1OCCCC#N ZINC000339581338 229081790 /nfs/dbraw/zinc/08/17/90/229081790.db2.gz BYWILYXVTUTQIK-HUUCEWRRSA-N 0 3 306.381 3.358 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC23CCCC3)cc1 ZINC000348511000 229203066 /nfs/dbraw/zinc/20/30/66/229203066.db2.gz RIECFEBLHMYNOI-DLBZAZTESA-N 0 3 307.397 3.080 20 30 DGEDHN CCOc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1OC(F)F ZINC000349848265 229217200 /nfs/dbraw/zinc/21/72/00/229217200.db2.gz ADHHVUHXXBGLIP-AAEUAGOBSA-N 0 3 310.344 3.469 20 30 DGEDHN COc1ccc(Br)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349799195 229217672 /nfs/dbraw/zinc/21/76/72/229217672.db2.gz HFSQPJLPFPDUAO-MFKMUULPSA-N 0 3 309.207 3.240 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ncc(C#N)cc2F)C1 ZINC000413315367 230188788 /nfs/dbraw/zinc/18/87/88/230188788.db2.gz KJBXMRZLLZKMTF-HNNXBMFYSA-N 0 3 324.403 3.051 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c1 ZINC000027208143 263503300 /nfs/dbraw/zinc/50/33/00/263503300.db2.gz XZDYJWDXCMYQRR-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN C[C@H](CN(C)C)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000346134896 263966794 /nfs/dbraw/zinc/96/67/94/263966794.db2.gz KKNWKNYOUBMQTQ-CQSZACIVSA-N 0 3 323.396 3.030 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCOC1 ZINC000348261195 264377179 /nfs/dbraw/zinc/37/71/79/264377179.db2.gz LNCSGSDXTLLZGB-SMDDNHRTSA-N 0 3 323.234 3.225 20 30 DGEDHN N#Cc1ccc(CN2CCC(CCCn3ccnc3)CC2)cc1 ZINC000361061823 270004572 /nfs/dbraw/zinc/00/45/72/270004572.db2.gz JAHHBCOUZOPICY-UHFFFAOYSA-N 0 3 308.429 3.447 20 30 DGEDHN COc1ccc(COCCN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353265601 265368623 /nfs/dbraw/zinc/36/86/23/265368623.db2.gz YXIUEADNIOCTGT-HXUWFJFHSA-N 0 3 322.408 3.361 20 30 DGEDHN N#Cc1ccc(CNc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000355388858 266059276 /nfs/dbraw/zinc/05/92/76/266059276.db2.gz FTPMXPKTSDBJMM-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN CCN(Cc1cc(C#N)ccc1OC)[C@H]1CCOC(C)(C)C1 ZINC000351927824 266135457 /nfs/dbraw/zinc/13/54/57/266135457.db2.gz RPAAYPNHSFUPEP-INIZCTEOSA-N 0 3 302.418 3.346 20 30 DGEDHN CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H](C)O ZINC000348711144 266136304 /nfs/dbraw/zinc/13/63/04/266136304.db2.gz FPDPUOMZSUSRNZ-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000355661987 266146817 /nfs/dbraw/zinc/14/68/17/266146817.db2.gz AHPTVJQNSHZDIG-HXUWFJFHSA-N 0 3 324.399 3.267 20 30 DGEDHN CCNC(=O)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353414675 266170050 /nfs/dbraw/zinc/17/00/50/266170050.db2.gz UKDKPWOFVFPMHH-IBGZPJMESA-N 0 3 319.408 3.085 20 30 DGEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528387 266371906 /nfs/dbraw/zinc/37/19/06/266371906.db2.gz LPUNQWAAWMFTEB-BXUZGUMPSA-N 0 3 305.809 3.413 20 30 DGEDHN C=CCCOCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000270259790 432232602 /nfs/dbraw/zinc/23/26/02/432232602.db2.gz VWKGXDGTRUSWHU-UHFFFAOYSA-N 0 3 324.428 3.146 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000352771045 267024362 /nfs/dbraw/zinc/02/43/62/267024362.db2.gz WGHCCUQNKLATTF-IIDMSEBBSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000361419621 267053367 /nfs/dbraw/zinc/05/33/67/267053367.db2.gz FTEBNJKCZYDRRJ-QGZVFWFLSA-N 0 3 305.425 3.265 20 30 DGEDHN C[C@@H]1C[C@H](Nc2cccnc2C#N)CCN1Cc1ccccc1 ZINC000368117599 267091237 /nfs/dbraw/zinc/09/12/37/267091237.db2.gz YUIBIXSAGFRCDD-NVXWUHKLSA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)[C@H](C)C1 ZINC000362435095 267136978 /nfs/dbraw/zinc/13/69/78/267136978.db2.gz QGSYJPXXJDHHRD-GRYCIOLGSA-N 0 3 305.809 3.126 20 30 DGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 ZINC000353176756 267183180 /nfs/dbraw/zinc/18/31/80/267183180.db2.gz IRUWENZHPVSMAK-ZDUSSCGKSA-N 0 3 306.369 3.164 20 30 DGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000353177745 267183618 /nfs/dbraw/zinc/18/36/18/267183618.db2.gz WIJYJXUZJMYZJT-ZDUSSCGKSA-N 0 3 306.369 3.164 20 30 DGEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000524812216 267209191 /nfs/dbraw/zinc/20/91/91/267209191.db2.gz YQAYCDFZAPDPQE-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000351627246 267222566 /nfs/dbraw/zinc/22/25/66/267222566.db2.gz INJFMJCZZUGNFV-SWLSCSKDSA-N 0 3 324.371 3.143 20 30 DGEDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(C#N)cn1 ZINC000399458388 267301818 /nfs/dbraw/zinc/30/18/18/267301818.db2.gz UJMSSHCQDQCWGY-HNAYVOBHSA-N 0 3 320.440 3.006 20 30 DGEDHN Cc1cc(CNC[C@]2(CO)C[C@H]2c2ccccc2)ccc1C#N ZINC000353222811 267326346 /nfs/dbraw/zinc/32/63/46/267326346.db2.gz QYXFDAPRVUFDMR-PMACEKPBSA-N 0 3 306.409 3.123 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2CCC[C@H]2C1 ZINC000247518312 432238311 /nfs/dbraw/zinc/23/83/11/432238311.db2.gz YXIIPRQMYTYRQW-JYJNAYRXSA-N 0 3 318.486 3.383 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000403995693 268075282 /nfs/dbraw/zinc/07/52/82/268075282.db2.gz GEGHRHJJVFABRE-LJQANCHMSA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(C2CC2)CC1 ZINC000368336194 268307483 /nfs/dbraw/zinc/30/74/83/268307483.db2.gz LPDKSDAQPVFGST-UHFFFAOYSA-N 0 3 303.431 3.070 20 30 DGEDHN COc1cccc(NC(=O)C[C@H](C)NCc2cccc(C#N)c2)c1 ZINC000151386852 432242479 /nfs/dbraw/zinc/24/24/79/432242479.db2.gz IGMFGHUIHJSGHO-AWEZNQCLSA-N 0 3 323.396 3.074 20 30 DGEDHN C[C@@H]1Cc2ccccc2CN1CCC(=O)Nc1ccccc1C#N ZINC000172906352 432245018 /nfs/dbraw/zinc/24/50/18/432245018.db2.gz QRSDYGLIXJLODB-OAHLLOKOSA-N 0 3 319.408 3.334 20 30 DGEDHN CCCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)s1 ZINC000515913878 269652889 /nfs/dbraw/zinc/65/28/89/269652889.db2.gz QTSXOWAZEOGPSE-UHFFFAOYSA-N 0 3 319.474 3.348 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1cccs1 ZINC000425199213 273815228 /nfs/dbraw/zinc/81/52/28/273815228.db2.gz HMQMUMQDMWSJPT-CYBMUJFWSA-N 0 3 316.386 3.243 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000329175211 276010748 /nfs/dbraw/zinc/01/07/48/276010748.db2.gz BLMWWGRQFUARGT-GRDNDAEWSA-N 0 3 318.417 3.046 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)C(C)C ZINC000470869091 429711505 /nfs/dbraw/zinc/71/15/05/429711505.db2.gz WORFIKQRKZHCLD-OAHLLOKOSA-N 0 3 318.421 3.409 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1sc(CCOC)nc1C ZINC000453367557 276919413 /nfs/dbraw/zinc/91/94/13/276919413.db2.gz UEDAKNYLMHBATB-YUTCNCBUSA-N 0 3 310.463 3.025 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000618568638 430594535 /nfs/dbraw/zinc/59/45/35/430594535.db2.gz SBFQILALRMHTDZ-DOTOQJQBSA-N 0 3 321.428 3.227 20 30 DGEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[C@H]1C#N)CC3 ZINC000329613278 277941581 /nfs/dbraw/zinc/94/15/81/277941581.db2.gz DWDMCIPVYSPILV-AHIWAGSCSA-N 0 3 309.413 3.316 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000443649867 278000511 /nfs/dbraw/zinc/00/05/11/278000511.db2.gz HQQKYDAABSXDFE-HZPDHXFCSA-N 0 3 305.466 3.039 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCC(C(C)C)CC1 ZINC000433179505 279223319 /nfs/dbraw/zinc/22/33/19/279223319.db2.gz FKSITXVOPQNVKJ-KLAILNCOSA-N 0 3 307.482 3.141 20 30 DGEDHN COc1ccc([C@@H](CNc2ncccc2C#N)N2CCCC2)cc1 ZINC000068838116 431144095 /nfs/dbraw/zinc/14/40/95/431144095.db2.gz HROYJLZWPVDYNP-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN COc1cccc(/C=N/C[C@H](C)N(C)Cc2ccccc2)c1O ZINC000110129383 431187673 /nfs/dbraw/zinc/18/76/73/431187673.db2.gz WCROAKGGSZIPNU-NPRIEWAGSA-N 0 3 312.413 3.340 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CCC1 ZINC000111298400 431207691 /nfs/dbraw/zinc/20/76/91/431207691.db2.gz QBRXQCGVKBGONQ-LLVKDONJSA-N 0 3 305.809 3.271 20 30 DGEDHN CC(C)C(=O)Nc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000069671396 431208835 /nfs/dbraw/zinc/20/88/35/431208835.db2.gz DZLMYOCDPJRSEH-UHFFFAOYSA-N 0 3 307.397 3.443 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCCCC2=O)CC1 ZINC000187705676 279603980 /nfs/dbraw/zinc/60/39/80/279603980.db2.gz XRPTXEGAXZRFEA-OAHLLOKOSA-N 0 3 311.429 3.096 20 30 DGEDHN C=CCN(CC=C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000113625282 431354630 /nfs/dbraw/zinc/35/46/30/431354630.db2.gz NQIAJTCWYKHROP-MRXNPFEDSA-N 0 3 315.461 3.499 20 30 DGEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619654 431401856 /nfs/dbraw/zinc/40/18/56/431401856.db2.gz RUBGJSLCOVLIMR-LBPRGKRZSA-N 0 3 308.366 3.034 20 30 DGEDHN CC(C)[C@H](CNCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000115629678 431467187 /nfs/dbraw/zinc/46/71/87/431467187.db2.gz RSKKQJNMARRGMS-INIZCTEOSA-N 0 3 317.433 3.197 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000115623045 431467274 /nfs/dbraw/zinc/46/72/74/431467274.db2.gz KKTKCXRYBOJUPU-QGZVFWFLSA-N 0 3 315.367 3.229 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1ccccc1C ZINC000077204327 431572305 /nfs/dbraw/zinc/57/23/05/431572305.db2.gz DWWCTGQQNKOVJY-CRAIPNDOSA-N 0 3 313.445 3.140 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000077466492 431598264 /nfs/dbraw/zinc/59/82/64/431598264.db2.gz YRTPKIAYLMZESX-FQEVSTJZSA-N 0 3 309.409 3.302 20 30 DGEDHN CCOC(=O)CC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118392601 431602742 /nfs/dbraw/zinc/60/27/42/431602742.db2.gz DGDZEPHWJQXGDA-AWEZNQCLSA-N 0 3 300.402 3.284 20 30 DGEDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C#N)c1 ZINC000015571982 431609123 /nfs/dbraw/zinc/60/91/23/431609123.db2.gz BEANZMKEGIEKMI-UHFFFAOYSA-N 0 3 321.424 3.027 20 30 DGEDHN N#Cc1ccc(Nc2cccc(CN3CCSCC3)c2)nc1 ZINC000078495518 431674421 /nfs/dbraw/zinc/67/44/21/431674421.db2.gz UOATZJWPQHDSKI-UHFFFAOYSA-N 0 3 310.426 3.246 20 30 DGEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc2c1OCO2 ZINC000078878136 431710180 /nfs/dbraw/zinc/71/01/80/431710180.db2.gz NDDZKFCIFIGFSV-LBPRGKRZSA-N 0 3 310.353 3.146 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121208408 431753511 /nfs/dbraw/zinc/75/35/11/431753511.db2.gz JTTLWXKQQNZUHL-QGZVFWFLSA-N 0 3 324.428 3.472 20 30 DGEDHN CCOCCOCc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000080025737 431758956 /nfs/dbraw/zinc/75/89/56/431758956.db2.gz YJHFKKOJRAZHSA-UHFFFAOYSA-N 0 3 324.424 3.401 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000119901394 431718101 /nfs/dbraw/zinc/71/81/01/431718101.db2.gz XPEHDQOSLKQMOU-CRAIPNDOSA-N 0 3 318.486 3.441 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1OC(F)(F)F ZINC000121850564 431806081 /nfs/dbraw/zinc/80/60/81/431806081.db2.gz BZYKNYIUTLACNQ-CYBMUJFWSA-N 0 3 303.324 3.344 20 30 DGEDHN CCC(=CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC ZINC000122102492 431811483 /nfs/dbraw/zinc/81/14/83/431811483.db2.gz HUGRLMHPIWHUCF-UHFFFAOYSA-N 0 3 313.445 3.195 20 30 DGEDHN C=CCOc1cccc(CN(CCC(N)=O)Cc2ccccc2)c1 ZINC000122094630 431812559 /nfs/dbraw/zinc/81/25/59/431812559.db2.gz UKVGNKSBKIVELK-UHFFFAOYSA-N 0 3 324.424 3.129 20 30 DGEDHN CC(C)(C#N)c1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000123258523 431859989 /nfs/dbraw/zinc/85/99/89/431859989.db2.gz FLTHARQXELDDKM-KRWDZBQOSA-N 0 3 311.429 3.301 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)c2ccc(F)cc2)CC1 ZINC000124889887 431907694 /nfs/dbraw/zinc/90/76/94/431907694.db2.gz RIPOYVJAJYIYLT-QGZVFWFLSA-N 0 3 304.409 3.086 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NCC(C)(C)CCC#N ZINC000092108556 431907678 /nfs/dbraw/zinc/90/76/78/431907678.db2.gz CRCSVLQOVPMNIN-UHFFFAOYSA-N 0 3 314.477 3.489 20 30 DGEDHN C=CCC[C@H](O)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000124912154 431908494 /nfs/dbraw/zinc/90/84/94/431908494.db2.gz CVAHQHGRYWMTTL-RDJZCZTQSA-N 0 3 304.434 3.053 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccsc1)C(C)C ZINC000047633562 431913389 /nfs/dbraw/zinc/91/33/89/431913389.db2.gz FTAXTODAKYQRMQ-MRXNPFEDSA-N 0 3 306.475 3.105 20 30 DGEDHN C=CC1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000093359328 431913938 /nfs/dbraw/zinc/91/39/38/431913938.db2.gz ODUPCASHTJHTII-CQSZACIVSA-N 0 3 303.402 3.025 20 30 DGEDHN C=CC1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000093359327 431914355 /nfs/dbraw/zinc/91/43/55/431914355.db2.gz ODUPCASHTJHTII-AWEZNQCLSA-N 0 3 303.402 3.025 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](COCC)C2)cc1OC ZINC000093839080 431917312 /nfs/dbraw/zinc/91/73/12/431917312.db2.gz KFQFJCIXVPEUQY-MRXNPFEDSA-N 0 3 305.418 3.118 20 30 DGEDHN CC(C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000123774455 431874358 /nfs/dbraw/zinc/87/43/58/431874358.db2.gz BQTCJHNYGNURPY-MJGOQNOKSA-N 0 3 313.445 3.172 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000045410052 431885378 /nfs/dbraw/zinc/88/53/78/431885378.db2.gz ZZIXGZKOICPTFB-UHFFFAOYSA-N 0 3 313.445 3.011 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000090003674 431888123 /nfs/dbraw/zinc/88/81/23/431888123.db2.gz XRPJSIXWZURCJM-DOTOQJQBSA-N 0 3 308.429 3.307 20 30 DGEDHN C=C(C)CN1CCC(N[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334293 431904255 /nfs/dbraw/zinc/90/42/55/431904255.db2.gz OVITWJGZTFARDF-OAHLLOKOSA-N 0 3 312.461 3.264 20 30 DGEDHN C=C[C@H](C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000127402665 431971964 /nfs/dbraw/zinc/97/19/64/431971964.db2.gz XSUVCSACKGBGLO-HNNXBMFYSA-N 0 3 317.433 3.247 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127661790 431977469 /nfs/dbraw/zinc/97/74/69/431977469.db2.gz VQDAQCQAWAHPBT-UONOGXRCSA-N 0 3 319.474 3.071 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)c1ccncc1 ZINC000127642397 431977538 /nfs/dbraw/zinc/97/75/38/431977538.db2.gz OODMUCKHRLKWSK-AWEZNQCLSA-N 0 3 311.385 3.034 20 30 DGEDHN N#Cc1ccc(CNCCSCc2ccccc2C#N)cc1 ZINC000053099098 431960808 /nfs/dbraw/zinc/96/08/08/431960808.db2.gz FJHHGMKQLREAJB-UHFFFAOYSA-N 0 3 307.422 3.453 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000101544251 431985230 /nfs/dbraw/zinc/98/52/30/431985230.db2.gz IERVBSCBSCXLHY-UHFFFAOYSA-N 0 3 302.381 3.376 20 30 DGEDHN N#CCCCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400971 431993396 /nfs/dbraw/zinc/99/33/96/431993396.db2.gz OQAKIXTWXLVCJW-CQSZACIVSA-N 0 3 314.364 3.359 20 30 DGEDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000248172635 432273491 /nfs/dbraw/zinc/27/34/91/432273491.db2.gz VBGOFDOIEASDLH-RTBURBONSA-N 0 3 307.397 3.132 20 30 DGEDHN CC[C@](C)(O)CN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191540821 432276294 /nfs/dbraw/zinc/27/62/94/432276294.db2.gz QREUPKBCEZLERA-IBGZPJMESA-N 0 3 311.429 3.060 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@H]1Oc1ccccc1 ZINC000248582605 432303503 /nfs/dbraw/zinc/30/35/03/432303503.db2.gz WMWNPUQIEGFEMS-VAMGGRTRSA-N 0 3 322.408 3.273 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc3[nH]ccc3c2)CC1 ZINC000270775865 432289873 /nfs/dbraw/zinc/28/98/73/432289873.db2.gz BBWZRVOMPDPIAY-GQCTYLIASA-N 0 3 323.440 3.338 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cnc(C)nc1C)C(C)C ZINC000152068538 432300666 /nfs/dbraw/zinc/30/06/66/432300666.db2.gz SZRRRKJVHDKXIS-HNAYVOBHSA-N 0 3 316.493 3.443 20 30 DGEDHN CC[C@@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000248759826 432315987 /nfs/dbraw/zinc/31/59/87/432315987.db2.gz XNZZKNZXHSAGQY-RTBURBONSA-N 0 3 310.445 3.026 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000248777768 432318087 /nfs/dbraw/zinc/31/80/87/432318087.db2.gz HSHVCINCJWNZTN-IVMMDQJWSA-N 0 3 317.820 3.117 20 30 DGEDHN CC(C)[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCS1 ZINC000174334734 432338718 /nfs/dbraw/zinc/33/87/18/432338718.db2.gz FBRGYYXCWWIKMA-ZDUSSCGKSA-N 0 3 323.487 3.022 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000249157251 432341549 /nfs/dbraw/zinc/34/15/49/432341549.db2.gz YZRWVPUDPZFSCZ-GOEBONIOSA-N 0 3 314.429 3.119 20 30 DGEDHN COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000270994579 432312393 /nfs/dbraw/zinc/31/23/93/432312393.db2.gz FRMMXOZHQSJSFY-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Cl)c2F)CC1 ZINC000152976728 432373325 /nfs/dbraw/zinc/37/33/25/432373325.db2.gz NDXYLWLSKNEWSH-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN CC(C)C[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000252499699 432381621 /nfs/dbraw/zinc/38/16/21/432381621.db2.gz JCMOOAZVLFRPRG-HZPDHXFCSA-N 0 3 305.466 3.086 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000252920995 432387330 /nfs/dbraw/zinc/38/73/30/432387330.db2.gz GMYDLCYHVCTWHV-USXIJHARSA-N 0 3 304.821 3.337 20 30 DGEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000184481451 432396458 /nfs/dbraw/zinc/39/64/58/432396458.db2.gz KJJOMGSFIIYVGN-QGZVFWFLSA-N 0 3 300.402 3.112 20 30 DGEDHN COc1cc2c(cc1CN[C@@H]1CCC[C@H](C#N)C1)O[C@@H](C)C2 ZINC000192647305 432397360 /nfs/dbraw/zinc/39/73/60/432397360.db2.gz VHIOTGRWBRYKTH-HEHGZKQESA-N 0 3 300.402 3.191 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000271486666 432405950 /nfs/dbraw/zinc/40/59/50/432405950.db2.gz IVHDUBDACKCOIR-IFXJQAMLSA-N 0 3 310.397 3.433 20 30 DGEDHN C#CCSCCNCc1ccccc1OCc1ccccn1 ZINC000152946929 432370286 /nfs/dbraw/zinc/37/02/86/432370286.db2.gz QNSZQFUMDSULSV-UHFFFAOYSA-N 0 3 312.438 3.117 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000272028007 432433893 /nfs/dbraw/zinc/43/38/93/432433893.db2.gz OLNSETLFEYLRLX-KRWDZBQOSA-N 0 3 313.445 3.211 20 30 DGEDHN COC(=O)CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000192985457 432436963 /nfs/dbraw/zinc/43/69/63/432436963.db2.gz VQOZOKYRNSMMBB-BHYGNILZSA-N 0 3 300.402 3.353 20 30 DGEDHN N#Cc1cccc(C2(NC3CCN(CC(F)(F)F)CC3)CC2)c1 ZINC000272159207 432455445 /nfs/dbraw/zinc/45/54/45/432455445.db2.gz BNTGJLSBQZMWDQ-UHFFFAOYSA-N 0 3 323.362 3.164 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000192849600 432421957 /nfs/dbraw/zinc/42/19/57/432421957.db2.gz LDFKBZCKPAQZET-CHWSQXEVSA-N 0 3 308.385 3.461 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cnc2c(c1)c(C)nn2C ZINC000272250601 432471056 /nfs/dbraw/zinc/47/10/56/432471056.db2.gz IDSSNNCKZBLRHN-UHFFFAOYSA-N 0 3 310.401 3.100 20 30 DGEDHN C=CC[C@H](C)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154672593 432512242 /nfs/dbraw/zinc/51/22/42/432512242.db2.gz IYFMKADNFRGBKQ-AWEZNQCLSA-N 0 3 305.422 3.022 20 30 DGEDHN N#Cc1cccc(C2(NC3CCN(c4ccccn4)CC3)CC2)c1 ZINC000272326797 432482589 /nfs/dbraw/zinc/48/25/89/432482589.db2.gz XCMOIPDLGBSQRD-UHFFFAOYSA-N 0 3 318.424 3.201 20 30 DGEDHN COc1ccc(CN(CCC(C)(C)C#N)[C@H](CO)C(C)C)cc1 ZINC000272222042 432466194 /nfs/dbraw/zinc/46/61/94/432466194.db2.gz CDJNJINHOMVJBE-GOSISDBHSA-N 0 3 318.461 3.454 20 30 DGEDHN N#Cc1cc(N2CCN(CC3CC3)CC2)ccc1C(F)(F)F ZINC000154082502 432470766 /nfs/dbraw/zinc/47/07/66/432470766.db2.gz WDDHQOSUTUHAPF-UHFFFAOYSA-N 0 3 309.335 3.109 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194423032 432549666 /nfs/dbraw/zinc/54/96/66/432549666.db2.gz GHSBDXAKOYRJAT-GOSISDBHSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000272507156 432514058 /nfs/dbraw/zinc/51/40/58/432514058.db2.gz FNTJAWYILIISAU-NSHDSACASA-N 0 3 314.223 3.311 20 30 DGEDHN C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)N(C)C ZINC000272519931 432517150 /nfs/dbraw/zinc/51/71/50/432517150.db2.gz LDMZXIRVYGHWQM-AWEZNQCLSA-N 0 3 323.396 3.030 20 30 DGEDHN C=CCN1CCC(N[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194031947 432519008 /nfs/dbraw/zinc/51/90/08/432519008.db2.gz BCHTUHQSHBFSPR-QGZVFWFLSA-N 0 3 308.853 3.268 20 30 DGEDHN C=CCN1CCC(N[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194031933 432519282 /nfs/dbraw/zinc/51/92/82/432519282.db2.gz BCHTUHQSHBFSPR-KRWDZBQOSA-N 0 3 308.853 3.268 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000176499813 432529971 /nfs/dbraw/zinc/52/99/71/432529971.db2.gz FFWGULOKZJPPOH-DOTOQJQBSA-N 0 3 305.466 3.001 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000185782801 432531944 /nfs/dbraw/zinc/53/19/44/432531944.db2.gz ONLNTUDDLMSFOP-JQHSSLGASA-N 0 3 311.429 3.022 20 30 DGEDHN CCOc1ccc(NC(=O)CCN2CCC(C)(C#N)CC2)cc1 ZINC000272613219 432532240 /nfs/dbraw/zinc/53/22/40/432532240.db2.gz SRXQNYRHBZITRR-UHFFFAOYSA-N 0 3 315.417 3.040 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000176574782 432535541 /nfs/dbraw/zinc/53/55/41/432535541.db2.gz QKEGBISXLVCUON-UHFFFAOYSA-N 0 3 321.424 3.129 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000272931837 432537266 /nfs/dbraw/zinc/53/72/66/432537266.db2.gz KASCSAQLILDTTL-LBPRGKRZSA-N 0 3 314.355 3.479 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000185869213 432541762 /nfs/dbraw/zinc/54/17/62/432541762.db2.gz ZGHSBBZRNVQIAU-NEPJUHHUSA-N 0 3 313.323 3.151 20 30 DGEDHN CCOc1cc(CNCCCC#N)ccc1OCC(F)(F)F ZINC000273081848 432548392 /nfs/dbraw/zinc/54/83/92/432548392.db2.gz QVNOKRRPBJJVCJ-UHFFFAOYSA-N 0 3 316.323 3.420 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000176965990 432571507 /nfs/dbraw/zinc/57/15/07/432571507.db2.gz SEHWMIVVTMRCAC-GFCCVEGCSA-N 0 3 321.446 3.109 20 30 DGEDHN COCC[C@@H](NCCCOc1cccc(C#N)c1)c1ccco1 ZINC000273263842 432575986 /nfs/dbraw/zinc/57/59/86/432575986.db2.gz LGJJCLHMAUMXNY-QGZVFWFLSA-N 0 3 314.385 3.288 20 30 DGEDHN C=C(C)CN1CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000155994309 432585587 /nfs/dbraw/zinc/58/55/87/432585587.db2.gz LVXOSPMJMIMZOT-UHFFFAOYSA-N 0 3 311.429 3.472 20 30 DGEDHN C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000155999479 432586210 /nfs/dbraw/zinc/58/62/10/432586210.db2.gz PORAEGMTZSUMMT-UHFFFAOYSA-N 0 3 324.399 3.163 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186378568 432589186 /nfs/dbraw/zinc/58/91/86/432589186.db2.gz PQJKZWYYEHMUPA-FUHWJXTLSA-N 0 3 302.418 3.250 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186432241 432594798 /nfs/dbraw/zinc/59/47/98/432594798.db2.gz PBKRJAFXQBUOSI-OAQYLSRUSA-N 0 3 319.404 3.330 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2ccccc2)CC1 ZINC000264321431 432635680 /nfs/dbraw/zinc/63/56/80/432635680.db2.gz BGRLEQYINDDOJX-GOSISDBHSA-N 0 3 315.461 3.477 20 30 DGEDHN CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)N(CC)CC ZINC000274201403 432637740 /nfs/dbraw/zinc/63/77/40/432637740.db2.gz RNKXGVOTSPJTKY-GOSISDBHSA-N 0 3 313.445 3.170 20 30 DGEDHN CC(C)CC[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000158143419 432638012 /nfs/dbraw/zinc/63/80/12/432638012.db2.gz ZMDVNVOEOGTLLY-WMZOPIPTSA-N 0 3 305.466 3.086 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)[C@]12CCCO2 ZINC000274237089 432641545 /nfs/dbraw/zinc/64/15/45/432641545.db2.gz QHHYIVWZLNLNKN-QRVDHSFSSA-N 0 3 318.392 3.075 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ccc2F)CC1 ZINC000264432841 432646076 /nfs/dbraw/zinc/64/60/76/432646076.db2.gz XKCTWUBAFWCKAK-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN CN(C)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1cccs1 ZINC000274282218 432646623 /nfs/dbraw/zinc/64/66/23/432646623.db2.gz BTRDUAPUOXTMQC-AWEZNQCLSA-N 0 3 316.386 3.243 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000264435557 432646873 /nfs/dbraw/zinc/64/68/73/432646873.db2.gz VRLZBBFCHUAQQS-SFHVURJKSA-N 0 3 315.461 3.333 20 30 DGEDHN C[C@H](c1cccs1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000274292990 432648654 /nfs/dbraw/zinc/64/86/54/432648654.db2.gz NKXKGTKRRCHRCW-UKRRQHHQSA-N 0 3 316.426 3.052 20 30 DGEDHN C=CCC[C@H](CC)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158624768 432653924 /nfs/dbraw/zinc/65/39/24/432653924.db2.gz HACHVKTUUOFCBL-CVEARBPZSA-N 0 3 309.475 3.492 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000217223202 432654010 /nfs/dbraw/zinc/65/40/10/432654010.db2.gz ZTYMQVRHVUUFHB-QAPCUYQASA-N 0 3 307.482 3.189 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000187274796 432655506 /nfs/dbraw/zinc/65/55/06/432655506.db2.gz VBDLVMCUPCLHER-FUHWJXTLSA-N 0 3 304.478 3.053 20 30 DGEDHN Cc1cccc([C@H]2CCCN2CCOc2ccccc2C#N)n1 ZINC000159787950 432695411 /nfs/dbraw/zinc/69/54/11/432695411.db2.gz XUAPFEMAVZKGBV-GOSISDBHSA-N 0 3 307.397 3.478 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cn(C)nc1C)C(C)C ZINC000177931410 432675626 /nfs/dbraw/zinc/67/56/26/432675626.db2.gz XORJNPZHMNEZLP-QAPCUYQASA-N 0 3 304.482 3.078 20 30 DGEDHN CC(C)CCOC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000177995202 432683379 /nfs/dbraw/zinc/68/33/79/432683379.db2.gz SWPRSDKHQVEYCB-LJQANCHMSA-N 0 3 316.445 3.119 20 30 DGEDHN N#Cc1ccc(CNCCCNc2ccc(C(F)(F)F)cn2)o1 ZINC000266182592 432753342 /nfs/dbraw/zinc/75/33/42/432753342.db2.gz GOWKDSXILLHRID-UHFFFAOYSA-N 0 3 324.306 3.157 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(-n3cncn3)cc2)cc1 ZINC000236683507 432756306 /nfs/dbraw/zinc/75/63/06/432756306.db2.gz OJLVXUPODUAQTJ-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068161 432761810 /nfs/dbraw/zinc/76/18/10/432761810.db2.gz IOLVVGYLDQLCGH-MAUKXSAKSA-N 0 3 300.446 3.335 20 30 DGEDHN N#CCOc1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000277025653 432829405 /nfs/dbraw/zinc/82/94/05/432829405.db2.gz ATVORXNJVYHFMJ-UHFFFAOYSA-N 0 3 307.397 3.364 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1CCCCN1CC)c1ccccc1 ZINC000189411660 432783874 /nfs/dbraw/zinc/78/38/74/432783874.db2.gz NFELLDVCNPJXAE-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000178887492 432784889 /nfs/dbraw/zinc/78/48/89/432784889.db2.gz QDOILRZKNFQTGE-GVDBMIGSSA-N 0 3 304.478 3.360 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN[C@@H]3CCOC3)c2)c1 ZINC000178996456 432794915 /nfs/dbraw/zinc/79/49/15/432794915.db2.gz OUWOLPUMVHZXGE-GOSISDBHSA-N 0 3 308.381 3.016 20 30 DGEDHN CC(C)N(CCC(C)(C)C#N)C[C@@H](O)COc1ccccc1 ZINC000277848630 432878671 /nfs/dbraw/zinc/87/86/71/432878671.db2.gz SNNLNWDDNPQIRZ-MRXNPFEDSA-N 0 3 304.434 3.077 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc3ccccc32)CC1 ZINC000296187502 432881809 /nfs/dbraw/zinc/88/18/09/432881809.db2.gz TUEPDSPNPVWKBK-UHFFFAOYSA-N 0 3 306.409 3.432 20 30 DGEDHN CC1CCN(CCNC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000329940939 432884530 /nfs/dbraw/zinc/88/45/30/432884530.db2.gz BWMXYWZXEVCNKO-UHFFFAOYSA-N 0 3 305.422 3.369 20 30 DGEDHN CC(C)Oc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccn1 ZINC000329962725 432885324 /nfs/dbraw/zinc/88/53/24/432885324.db2.gz SHXYUSYASSTATD-INIZCTEOSA-N 0 3 317.433 3.190 20 30 DGEDHN CCC1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCCC1 ZINC000296221657 432885677 /nfs/dbraw/zinc/88/56/77/432885677.db2.gz KDXJPZBWGNARIW-UHFFFAOYSA-N 0 3 305.447 3.488 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)CCc2nnc(C3CCCC3)o2)CCN1C ZINC000329978329 432886199 /nfs/dbraw/zinc/88/61/99/432886199.db2.gz HIQSBJOIDTXDCW-OCCSQVGLSA-N 0 3 320.437 3.099 20 30 DGEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CC[C@@H](C)C1 ZINC000329984486 432886572 /nfs/dbraw/zinc/88/65/72/432886572.db2.gz CGRVIZRDECGVBH-BMFZPTHFSA-N 0 3 304.438 3.006 20 30 DGEDHN C#C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(C)(C)C ZINC000288200905 432890258 /nfs/dbraw/zinc/89/02/58/432890258.db2.gz MGVFGHUJAHYOPH-INIZCTEOSA-N 0 3 312.413 3.272 20 30 DGEDHN CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330189789 432896168 /nfs/dbraw/zinc/89/61/68/432896168.db2.gz MBBMFYSHUAOFJS-PMPSAXMXSA-N 0 3 318.465 3.306 20 30 DGEDHN CC(C)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330189789 432896171 /nfs/dbraw/zinc/89/61/71/432896171.db2.gz MBBMFYSHUAOFJS-PMPSAXMXSA-N 0 3 318.465 3.306 20 30 DGEDHN C[C@H]1C[C@H](/N=C/c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000268173911 432852776 /nfs/dbraw/zinc/85/27/76/432852776.db2.gz LYYNMHYCJYAZQA-TVVDQKJSSA-N 0 3 310.397 3.180 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000245705741 432858310 /nfs/dbraw/zinc/85/83/10/432858310.db2.gz XOXFKERZSRKOPA-KGLIPLIRSA-N 0 3 314.433 3.109 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2ccncc2)C1 ZINC000289301533 432943162 /nfs/dbraw/zinc/94/31/62/432943162.db2.gz IGQYMOAIURSCCQ-QGZVFWFLSA-N 0 3 307.397 3.341 20 30 DGEDHN CO[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)Cc1ccccc1 ZINC000296329273 432896983 /nfs/dbraw/zinc/89/69/83/432896983.db2.gz PDHMHRFVVJDECU-OXQOHEQNSA-N 0 3 324.424 3.497 20 30 DGEDHN CCN1CCC(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000330203787 432897004 /nfs/dbraw/zinc/89/70/04/432897004.db2.gz BBVLCEOSUWIFMT-UHFFFAOYSA-N 0 3 315.417 3.355 20 30 DGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2CCN(C3CC3)CC2)C1 ZINC000330242539 432899351 /nfs/dbraw/zinc/89/93/51/432899351.db2.gz WMOOSBIGGKIGDA-KUHUBIRLSA-N 0 3 322.493 3.395 20 30 DGEDHN CCCC1CCC([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330265160 432901236 /nfs/dbraw/zinc/90/12/36/432901236.db2.gz YVVNQKRVSSQZMZ-NRXISQOPSA-N 0 3 304.438 3.060 20 30 DGEDHN CCCC1CCC(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330265160 432901238 /nfs/dbraw/zinc/90/12/38/432901238.db2.gz YVVNQKRVSSQZMZ-NRXISQOPSA-N 0 3 304.438 3.060 20 30 DGEDHN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1C(C)C ZINC000330393546 432907089 /nfs/dbraw/zinc/90/70/89/432907089.db2.gz KRNCKHAZWWXXRC-BXUZGUMPSA-N 0 3 319.449 3.436 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000278882838 432912599 /nfs/dbraw/zinc/91/25/99/432912599.db2.gz HCRQVIKRBMIJRI-SFHVURJKSA-N 0 3 316.408 3.090 20 30 DGEDHN N#Cc1ccc(CN2CCCN(CC3CC(F)(F)C3)CC2)cc1 ZINC000296504074 432916017 /nfs/dbraw/zinc/91/60/17/432916017.db2.gz LQVUQXBRLCWKAW-UHFFFAOYSA-N 0 3 319.399 3.111 20 30 DGEDHN C=CCCCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000279415216 432965564 /nfs/dbraw/zinc/96/55/64/432965564.db2.gz XQQPLADKJNXLMQ-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN COc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1OCCCC#N ZINC000339581341 533692407 /nfs/dbraw/zinc/69/24/07/533692407.db2.gz BYWILYXVTUTQIK-LSDHHAIUSA-N 0 3 306.381 3.358 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000289751727 432973671 /nfs/dbraw/zinc/97/36/71/432973671.db2.gz HQFPOFQMXKDTBN-HKUYNNGSSA-N 0 3 315.461 3.199 20 30 DGEDHN C#Cc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000290085492 432989835 /nfs/dbraw/zinc/98/98/35/432989835.db2.gz QWGLCNSKCJCHCY-HXUWFJFHSA-N 0 3 313.441 3.218 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000279802870 432993078 /nfs/dbraw/zinc/99/30/78/432993078.db2.gz WNPHXTPCEMVJBJ-DNVCBOLYSA-N 0 3 317.392 3.160 20 30 DGEDHN N#Cc1cccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289454522 432963819 /nfs/dbraw/zinc/96/38/19/432963819.db2.gz LIVZSKHEPXFSQM-LJQANCHMSA-N 0 3 303.409 3.195 20 30 DGEDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000341241065 433003080 /nfs/dbraw/zinc/00/30/80/433003080.db2.gz WSIDZAZOTSLLLK-HXUWFJFHSA-N 0 3 323.440 3.268 20 30 DGEDHN C=CC(C)(C)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000297763031 433015585 /nfs/dbraw/zinc/01/55/85/433015585.db2.gz OWORBNZURITADX-UHFFFAOYSA-N 0 3 301.390 3.141 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297864588 433025884 /nfs/dbraw/zinc/02/58/84/433025884.db2.gz QODWRHGYTQCNPD-QGZVFWFLSA-N 0 3 300.446 3.322 20 30 DGEDHN C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000280302770 433030401 /nfs/dbraw/zinc/03/04/01/433030401.db2.gz MZPAQGYELNAPII-YOEHRIQHSA-N 0 3 309.413 3.135 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000290422725 433049932 /nfs/dbraw/zinc/04/99/32/433049932.db2.gz RBCZNUQZKXLVNU-UHFFFAOYSA-N 0 3 320.436 3.440 20 30 DGEDHN C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000298097040 433050073 /nfs/dbraw/zinc/05/00/73/433050073.db2.gz KVEVVYDVJXZCSL-HPFXQQBRSA-N 0 3 313.445 3.409 20 30 DGEDHN CCCN(Cc1c[nH]c2nccnc12)Cc1ccc(C#N)cc1 ZINC000290422472 433050589 /nfs/dbraw/zinc/05/05/89/433050589.db2.gz MJZWNNNYNCJYIS-UHFFFAOYSA-N 0 3 305.385 3.242 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C)c(Cl)cc2C)CC1 ZINC000280438634 433051873 /nfs/dbraw/zinc/05/18/73/433051873.db2.gz FFDFOTHBWAJWRE-UHFFFAOYSA-N 0 3 306.837 3.337 20 30 DGEDHN CC(C)C(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000290408341 433046811 /nfs/dbraw/zinc/04/68/11/433046811.db2.gz UAIZOLWRJWRHKO-UHFFFAOYSA-N 0 3 300.402 3.017 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000298246301 433066949 /nfs/dbraw/zinc/06/69/49/433066949.db2.gz SUHYYOGRARQFJN-WOJBJXKFSA-N 0 3 304.393 3.205 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000280528880 433073752 /nfs/dbraw/zinc/07/37/52/433073752.db2.gz YIWIVHZYOSOVGO-GOSISDBHSA-N 0 3 321.424 3.423 20 30 DGEDHN Cc1noc(C2(C)CCN(CCCCC(C)(C)C#N)CC2)n1 ZINC000373117730 433096672 /nfs/dbraw/zinc/09/66/72/433096672.db2.gz JRIUGRNXTVUXLU-UHFFFAOYSA-N 0 3 304.438 3.452 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000425129695 433104061 /nfs/dbraw/zinc/10/40/61/433104061.db2.gz MKRLNAFRIFOFSI-OAHLLOKOSA-N 0 3 321.424 3.453 20 30 DGEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(C#N)oc2C)C1 ZINC000280615477 433106306 /nfs/dbraw/zinc/10/63/06/433106306.db2.gz KNQSPLXXHKVGNZ-AWEZNQCLSA-N 0 3 317.433 3.090 20 30 DGEDHN C=C(CC)CN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000453352287 433113375 /nfs/dbraw/zinc/11/33/75/433113375.db2.gz ITPOTPATHPHEOA-SJORKVTESA-N 0 3 308.853 3.268 20 30 DGEDHN CN(CCOc1cccc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000341618189 433169782 /nfs/dbraw/zinc/16/97/82/433169782.db2.gz FQIOPWUOXLKEKA-UHFFFAOYSA-N 0 3 302.418 3.215 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@H](c3ccc(F)cc3)CC2)C1=O ZINC000337176720 433210084 /nfs/dbraw/zinc/21/00/84/433210084.db2.gz JCSUSNQDZBRQQF-CRAIPNDOSA-N 0 3 316.420 3.182 20 30 DGEDHN CC#CCCCC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374251890 433179857 /nfs/dbraw/zinc/17/98/57/433179857.db2.gz ZZCIHXDBPSGNGC-FQEVSTJZSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCC(F)(F)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000298580522 433186286 /nfs/dbraw/zinc/18/62/86/433186286.db2.gz ICYSXVJDVACNEJ-HOCLYGCPSA-N 0 3 320.383 3.341 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1nc2c(cc1C#N)CCC2 ZINC000336732573 433186890 /nfs/dbraw/zinc/18/68/90/433186890.db2.gz ZRLCMWORFCNGIK-OAHLLOKOSA-N 0 3 320.440 3.374 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)oc(=O)n2C ZINC000425365654 433202537 /nfs/dbraw/zinc/20/25/37/433202537.db2.gz MIJQCQDRLJEBHL-CYBMUJFWSA-N 0 3 321.380 3.196 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000290911620 433204409 /nfs/dbraw/zinc/20/44/09/433204409.db2.gz NBPIQMXKWUOTFJ-SFHVURJKSA-N 0 3 309.413 3.041 20 30 DGEDHN CN(C)c1noc([C@H]2CCCN(CCCCC(C)(C)C#N)C2)n1 ZINC000374528524 433213304 /nfs/dbraw/zinc/21/33/04/433213304.db2.gz FPVBAJHGUBZRFO-AWEZNQCLSA-N 0 3 319.453 3.035 20 30 DGEDHN CC1CCN([C@@H](CNC(=O)CCCC#N)c2cccs2)CC1 ZINC000290980024 433214769 /nfs/dbraw/zinc/21/47/69/433214769.db2.gz PYYLUORRIBRUHG-HNNXBMFYSA-N 0 3 319.474 3.331 20 30 DGEDHN COC(=O)[C@H](CCN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000425386479 433216297 /nfs/dbraw/zinc/21/62/97/433216297.db2.gz RUSYPNQHXFXLFE-LJQANCHMSA-N 0 3 322.408 3.337 20 30 DGEDHN COCCOCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000291145706 433224487 /nfs/dbraw/zinc/22/44/87/433224487.db2.gz IBIHVVNSLWIOGF-ROUUACIJSA-N 0 3 302.418 3.022 20 30 DGEDHN C[S@](=O)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341708552 433226121 /nfs/dbraw/zinc/22/61/21/433226121.db2.gz TUORTNBIJSEKTP-XXBNENTESA-N 0 3 324.449 3.463 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000298794652 433247588 /nfs/dbraw/zinc/24/75/88/433247588.db2.gz DPRCYPXOIBKQHL-NEPJUHHUSA-N 0 3 300.328 3.231 20 30 DGEDHN C=C(C)CN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000354743224 433251406 /nfs/dbraw/zinc/25/14/06/433251406.db2.gz GMEDRYVJSJHZQK-MRXNPFEDSA-N 0 3 322.399 3.178 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)cn1 ZINC000337801365 433260810 /nfs/dbraw/zinc/26/08/10/433260810.db2.gz IINVKEUPNMAMBI-GOSISDBHSA-N 0 3 320.440 3.666 20 30 DGEDHN C=CCCC1(C(=O)Nc2ccc(OCCN(C)C)cc2F)CC1 ZINC000413913144 433315458 /nfs/dbraw/zinc/31/54/58/433315458.db2.gz JVAQNPQSLWFUQQ-UHFFFAOYSA-N 0 3 320.408 3.451 20 30 DGEDHN C=CCN1CCC(NC(=O)CC2CC(c3ccccc3)C2)CC1 ZINC000281211175 433270928 /nfs/dbraw/zinc/27/09/28/433270928.db2.gz JRHMSHDBKPBNOL-UHFFFAOYSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccnc(Cl)c1Cl ZINC000291580415 433275025 /nfs/dbraw/zinc/27/50/25/433275025.db2.gz OUUVZQQPDZXFPO-AAEUAGOBSA-N 0 3 301.217 3.459 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccnc(Cl)c1Cl ZINC000291580419 433276051 /nfs/dbraw/zinc/27/60/51/433276051.db2.gz OUUVZQQPDZXFPO-WCQYABFASA-N 0 3 301.217 3.459 20 30 DGEDHN Cc1ccc(NC(=O)CCN(C)[C@@H](C)c2cccc(C#N)c2)nc1 ZINC000425532258 433281721 /nfs/dbraw/zinc/28/17/21/433281721.db2.gz IWHDPHPBLUSISH-HNNXBMFYSA-N 0 3 322.412 3.283 20 30 DGEDHN [O-]c1c(O)cccc1/C=N/C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281456077 433302285 /nfs/dbraw/zinc/30/22/85/433302285.db2.gz BRTGBEXJFPFKPB-QUYZQLMHSA-N 0 3 302.418 3.314 20 30 DGEDHN [O-]c1c(O)cccc1/C=N/C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000281456077 433302297 /nfs/dbraw/zinc/30/22/97/433302297.db2.gz BRTGBEXJFPFKPB-QUYZQLMHSA-N 0 3 302.418 3.314 20 30 DGEDHN CC[C@@H]1[C@@H](C)CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883722 433312221 /nfs/dbraw/zinc/31/22/21/433312221.db2.gz USNSVSQSHVJWDC-QGTPRVQTSA-N 0 3 311.429 3.174 20 30 DGEDHN C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000299719351 433377813 /nfs/dbraw/zinc/37/78/13/433377813.db2.gz RZSROSLUFPYONC-UGSOOPFHSA-N 0 3 305.381 3.162 20 30 DGEDHN Cc1ccc([C@@H](CNC(=O)C2(C#N)CCCCC2)N(C)C)cc1 ZINC000299370249 433364288 /nfs/dbraw/zinc/36/42/88/433364288.db2.gz VKNPACKDPVMOBW-QGZVFWFLSA-N 0 3 313.445 3.188 20 30 DGEDHN C=CC(C)(C)CNC(=O)NCCCN(C)Cc1ccccc1 ZINC000454220754 433329298 /nfs/dbraw/zinc/32/92/98/433329298.db2.gz UGPSHNVNVQNQPN-UHFFFAOYSA-N 0 3 303.450 3.020 20 30 DGEDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1CCC(C#N)CC1 ZINC000281652177 433336157 /nfs/dbraw/zinc/33/61/57/433336157.db2.gz KBPXOCJVJHRNOY-UHFFFAOYSA-N 0 3 317.389 3.413 20 30 DGEDHN C[C@@H]1C[C@H](CO)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000420943043 433336475 /nfs/dbraw/zinc/33/64/75/433336475.db2.gz PKQMZVPZOPGPPG-HIFRSBDPSA-N 0 3 311.347 3.007 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000454243400 433340481 /nfs/dbraw/zinc/34/04/81/433340481.db2.gz USQUDQXSBSMROW-KRWDZBQOSA-N 0 3 315.461 3.335 20 30 DGEDHN COCC1(C#N)CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000341976968 433392672 /nfs/dbraw/zinc/39/26/72/433392672.db2.gz LNTZGTCZKLJGCE-QGZVFWFLSA-N 0 3 302.393 3.455 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000454370073 433397646 /nfs/dbraw/zinc/39/76/46/433397646.db2.gz PTRAVCWBPUASJV-NVXWUHKLSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCNC(=O)CN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414113095 433404187 /nfs/dbraw/zinc/40/41/87/433404187.db2.gz RNOSAOUPTYOICQ-GOEBONIOSA-N 0 3 306.837 3.258 20 30 DGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccccc1Br ZINC000448452391 433409932 /nfs/dbraw/zinc/40/99/32/433409932.db2.gz NCUSRWYHEZZLQJ-SNVBAGLBSA-N 0 3 309.207 3.003 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000375297188 433417118 /nfs/dbraw/zinc/41/71/18/433417118.db2.gz IIBQTQNHCZCATD-KXBFYZLASA-N 0 3 314.429 3.368 20 30 DGEDHN Cc1ccc([C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000301112846 433420536 /nfs/dbraw/zinc/42/05/36/433420536.db2.gz SLDITRHEEFTRMK-SFHVURJKSA-N 0 3 324.384 3.490 20 30 DGEDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000291987967 433422283 /nfs/dbraw/zinc/42/22/83/433422283.db2.gz UKBFBTNDRNJDEW-CJNGLKHVSA-N 0 3 323.371 3.153 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)Cc1ccccc1 ZINC000301157594 433437087 /nfs/dbraw/zinc/43/70/87/433437087.db2.gz DPTZQGPLQDBSOU-CQSZACIVSA-N 0 3 314.820 3.191 20 30 DGEDHN CCN(CCC1CC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000355069817 433448740 /nfs/dbraw/zinc/44/87/40/433448740.db2.gz SECFCIGKSKIPNW-MRXNPFEDSA-N 0 3 313.445 3.444 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454523803 433460873 /nfs/dbraw/zinc/46/08/73/433460873.db2.gz LSFIEGHHQKPQBN-DLBZAZTESA-N 0 3 315.461 3.115 20 30 DGEDHN CCc1nc(CCNCc2ccc(C#N)c(F)c2)sc1C ZINC000421319803 433474515 /nfs/dbraw/zinc/47/45/15/433474515.db2.gz AXPHMKBTVSECSH-UHFFFAOYSA-N 0 3 303.406 3.357 20 30 DGEDHN CC(C)SCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000282165229 433517239 /nfs/dbraw/zinc/51/72/39/433517239.db2.gz HGKOUNQZBFESML-GHRIWEEISA-N 0 3 308.447 3.015 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000426546841 433525982 /nfs/dbraw/zinc/52/59/82/433525982.db2.gz CAAWOKSSHHJNRP-HOCLYGCPSA-N 0 3 303.402 3.167 20 30 DGEDHN CN(CCNc1ncc(C#N)cc1Cl)Cc1ccc(F)cc1 ZINC000362128724 433537666 /nfs/dbraw/zinc/53/76/66/433537666.db2.gz HSIYUKUWLNQYSG-UHFFFAOYSA-N 0 3 318.783 3.290 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN([C@@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000292200945 433503563 /nfs/dbraw/zinc/50/35/63/433503563.db2.gz NUJQPTXTFARWEZ-FUHWJXTLSA-N 0 3 323.371 3.233 20 30 DGEDHN N#CCCCCN1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000375739098 433550212 /nfs/dbraw/zinc/55/02/12/433550212.db2.gz XALJUKKIKAISBB-MRXNPFEDSA-N 0 3 307.438 3.157 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1 ZINC000355595960 433551392 /nfs/dbraw/zinc/55/13/92/433551392.db2.gz JMASIWMXRMWAQO-UHFFFAOYSA-N 0 3 304.353 3.337 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3cccc(C#N)c3)n2)cc1 ZINC000355600769 433552670 /nfs/dbraw/zinc/55/26/70/433552670.db2.gz WWZBLDASLNLGCB-UHFFFAOYSA-N 0 3 304.353 3.337 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292375378 433561425 /nfs/dbraw/zinc/56/14/25/433561425.db2.gz YUZKOGQZMJCFQC-KSSFIOAISA-N 0 3 318.380 3.039 20 30 DGEDHN N#Cc1ccc(CNC[C@H](CO)c2ccccc2Cl)c(F)c1 ZINC000342275213 433579357 /nfs/dbraw/zinc/57/93/57/433579357.db2.gz AQBJOMLLSQSWCT-CQSZACIVSA-N 0 3 318.779 3.216 20 30 DGEDHN CN(CCNc1ccc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000301520510 433590515 /nfs/dbraw/zinc/59/05/15/433590515.db2.gz GRPWWLYIEXAOOT-UHFFFAOYSA-N 0 3 301.340 3.380 20 30 DGEDHN C=CCC1(C(=O)NC2CCN(CCCOC)CC2)CCCCC1 ZINC000448877522 433593020 /nfs/dbraw/zinc/59/30/20/433593020.db2.gz HCAASBOTQUJWRW-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000292314438 433548193 /nfs/dbraw/zinc/54/81/93/433548193.db2.gz VLOMTUYHVKWLLB-INIZCTEOSA-N 0 3 301.434 3.220 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1ccc(Cl)c(C#N)n1 ZINC000301613890 433638346 /nfs/dbraw/zinc/63/83/46/433638346.db2.gz AKIZIQYZAVLTTF-UHFFFAOYSA-N 0 3 314.820 3.175 20 30 DGEDHN COc1cc(CNC[C@H](O)c2cc(C)cc(C)c2)ccc1C#N ZINC000282426853 433604706 /nfs/dbraw/zinc/60/47/06/433604706.db2.gz CADIRWRNHKCZDC-SFHVURJKSA-N 0 3 310.397 3.007 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362372299 433665999 /nfs/dbraw/zinc/66/59/99/433665999.db2.gz WJWSOPRRHNUDOY-FUHWJXTLSA-N 0 3 315.461 3.333 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000362389092 433680404 /nfs/dbraw/zinc/68/04/04/433680404.db2.gz LVVZUVZKWZBLCO-CZUORRHYSA-N 0 3 316.470 3.177 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000362391500 433686220 /nfs/dbraw/zinc/68/62/20/433686220.db2.gz XCSKUYGBHOJDDF-ZIAGYGMSSA-N 0 3 316.470 3.320 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000356802035 433703800 /nfs/dbraw/zinc/70/38/00/433703800.db2.gz GCRYVKLGIBNNFQ-SJLPKXTDSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000427518694 433721026 /nfs/dbraw/zinc/72/10/26/433721026.db2.gz HWRYXNATAPKBNZ-NXHRZFHOSA-N 0 3 300.446 3.335 20 30 DGEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCOCCC#N ZINC000293445012 433739787 /nfs/dbraw/zinc/73/97/87/433739787.db2.gz CENITBZIZSMTKH-WBVHZDCISA-N 0 3 302.418 3.398 20 30 DGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000428190747 433750497 /nfs/dbraw/zinc/75/04/97/433750497.db2.gz NZKJOEAYACKSDF-UFZUXSKSSA-N 0 3 323.440 3.253 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428774814 433765625 /nfs/dbraw/zinc/76/56/25/433765625.db2.gz XSXPGSTWABNXJM-NVXWUHKLSA-N 0 3 307.397 3.476 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@H]2OCC)cc1OC ZINC000449756618 433767321 /nfs/dbraw/zinc/76/73/21/433767321.db2.gz PZYLHAVRCGWZJZ-HZPDHXFCSA-N 0 3 305.418 3.307 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H](CCCO)C2)ccc1OC ZINC000449787454 433799387 /nfs/dbraw/zinc/79/93/87/433799387.db2.gz ACAIPFXYUCJRNW-INIZCTEOSA-N 0 3 319.445 3.245 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000362655849 433808634 /nfs/dbraw/zinc/80/86/34/433808634.db2.gz ASMCOSBYNUMSPH-GJZGRUSLSA-N 0 3 321.490 3.395 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(CCCC#N)C2 ZINC000377343904 433858523 /nfs/dbraw/zinc/85/85/23/433858523.db2.gz GMHZQEBDZOTTLD-KRWDZBQOSA-N 0 3 307.438 3.013 20 30 DGEDHN Cc1cc(C)c(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000456846986 433861520 /nfs/dbraw/zinc/86/15/20/433861520.db2.gz ULXZDYGWBUOSRJ-QGZVFWFLSA-N 0 3 307.397 3.087 20 30 DGEDHN N#CCCOCCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000293908347 433921654 /nfs/dbraw/zinc/92/16/54/433921654.db2.gz WUTPZTVJUYLEMF-IBGZPJMESA-N 0 3 310.397 3.327 20 30 DGEDHN CC1=CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000436264608 433921714 /nfs/dbraw/zinc/92/17/14/433921714.db2.gz VQPXEKZAJMBVFN-UHFFFAOYSA-N 0 3 303.793 3.192 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000285319928 433924732 /nfs/dbraw/zinc/92/47/32/433924732.db2.gz WLHOUOQWOWXGBT-QGZVFWFLSA-N 0 3 319.474 3.016 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000303712628 433962668 /nfs/dbraw/zinc/96/26/68/433962668.db2.gz ZKAIBYHYQQSLOD-HOTGVXAUSA-N 0 3 307.482 3.143 20 30 DGEDHN CN1C[C@H](CNCc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000436410689 433962891 /nfs/dbraw/zinc/96/28/91/433962891.db2.gz KLMKYDOAZWLWOF-HNNXBMFYSA-N 0 3 309.388 3.096 20 30 DGEDHN Cc1cccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000457076055 433970877 /nfs/dbraw/zinc/97/08/77/433970877.db2.gz JHOXQAMGSINGPT-KXBFYZLASA-N 0 3 317.392 3.426 20 30 DGEDHN CSc1ccc([C@H](CNc2ccnc(C#N)c2)N(C)C)cc1 ZINC000294037650 433973775 /nfs/dbraw/zinc/97/37/75/433973775.db2.gz LNRUQGANWHRMQF-KRWDZBQOSA-N 0 3 312.442 3.390 20 30 DGEDHN C=CC[C@H](C(=O)N(C)[C@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457095673 433984410 /nfs/dbraw/zinc/98/44/10/433984410.db2.gz PZPIKQBKSMMCSK-ROUUACIJSA-N 0 3 300.446 3.287 20 30 DGEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000285541389 433988257 /nfs/dbraw/zinc/98/82/57/433988257.db2.gz FYXGAQJBGDFUOU-HNNXBMFYSA-N 0 3 306.413 3.273 20 30 DGEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OC)c(OC)c1 ZINC000285543726 433988911 /nfs/dbraw/zinc/98/89/11/433988911.db2.gz QDHQIVKSHFXFIM-MRXNPFEDSA-N 0 3 313.401 3.155 20 30 DGEDHN CC1=CCN(CCNc2cccc(Br)c2C#N)CC1 ZINC000357450549 434024192 /nfs/dbraw/zinc/02/41/92/434024192.db2.gz DSMMRYIZJJQQMM-UHFFFAOYSA-N 0 3 320.234 3.385 20 30 DGEDHN CC1(C)CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000294191969 434033783 /nfs/dbraw/zinc/03/37/83/434033783.db2.gz OXWUICOVOJCACY-IAGOWNOFSA-N 0 3 309.413 3.183 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000416064931 433998905 /nfs/dbraw/zinc/99/89/05/433998905.db2.gz ASSCQGDXHQTZOS-BBWFWOEESA-N 0 3 309.413 3.181 20 30 DGEDHN COc1cc(CN[C@H](C)c2ccc3n[nH]cc3c2)ccc1C#N ZINC000353114727 434064807 /nfs/dbraw/zinc/06/48/07/434064807.db2.gz WTTLXQVFPBJVAO-GFCCVEGCSA-N 0 3 306.369 3.294 20 30 DGEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@H]1CCCC[C@H]1O ZINC000305859565 434084940 /nfs/dbraw/zinc/08/49/40/434084940.db2.gz XOCLTKVDECGBSX-IEBWSBKVSA-N 0 3 316.445 3.352 20 30 DGEDHN C#CCN(Cc1ccccc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000285865421 434092828 /nfs/dbraw/zinc/09/28/28/434092828.db2.gz YPEQTNSVSQSKNJ-UHFFFAOYSA-N 0 3 321.424 3.416 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCC1CC(F)(F)C1 ZINC000457194957 434047518 /nfs/dbraw/zinc/04/75/18/434047518.db2.gz YILIPTDMPRJLNN-OAHLLOKOSA-N 0 3 306.356 3.311 20 30 DGEDHN C#CCCN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000378324199 434140625 /nfs/dbraw/zinc/14/06/25/434140625.db2.gz SDRDJDROIBUSAD-UHFFFAOYSA-N 0 3 306.450 3.121 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1cccc(CC#N)c1 ZINC000286122819 434170403 /nfs/dbraw/zinc/17/04/03/434170403.db2.gz GUJQUJHIZCGCDZ-UHFFFAOYSA-N 0 3 313.445 3.091 20 30 DGEDHN CC(C)(C#N)CCCN1CCCN(c2ncccc2F)CC1 ZINC000363914584 434182826 /nfs/dbraw/zinc/18/28/26/434182826.db2.gz XQIKNTOCPFBEDF-UHFFFAOYSA-N 0 3 304.413 3.063 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000295132923 434218593 /nfs/dbraw/zinc/21/85/93/434218593.db2.gz IGBYKIKHODLGGG-INIZCTEOSA-N 0 3 300.446 3.322 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC(F)F)CC(C)C ZINC000437401458 434258044 /nfs/dbraw/zinc/25/80/44/434258044.db2.gz YOTQWDUQJNSYIF-UHFFFAOYSA-N 0 3 312.360 3.264 20 30 DGEDHN C[C@H]1C[C@H](c2cccnc2)N(CCOc2ccccc2C#N)C1 ZINC000364103402 434233756 /nfs/dbraw/zinc/23/37/56/434233756.db2.gz QWLPDOJDWCGNSS-MAUKXSAKSA-N 0 3 307.397 3.415 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(F)cc(Br)c1 ZINC000320314535 434238102 /nfs/dbraw/zinc/23/81/02/434238102.db2.gz VWOAHHOSGPDOSG-ZDUSSCGKSA-N 0 3 302.187 3.005 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)ccc1Cl ZINC000437258440 434239391 /nfs/dbraw/zinc/23/93/91/434239391.db2.gz NTBHKPQDNJLQMN-CZUORRHYSA-N 0 3 323.820 3.197 20 30 DGEDHN N#Cc1cccc(OCCN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000437541545 434280894 /nfs/dbraw/zinc/28/08/94/434280894.db2.gz XFNLDQRACSKGOD-IAGOWNOFSA-N 0 3 302.443 3.297 20 30 DGEDHN Cc1nc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)ccc1C#N ZINC000383068270 434281240 /nfs/dbraw/zinc/28/12/40/434281240.db2.gz IBSRKAXTMGZAND-MRXNPFEDSA-N 0 3 320.440 3.363 20 30 DGEDHN N#Cc1cccc(OCCN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000437541546 434282717 /nfs/dbraw/zinc/28/27/17/434282717.db2.gz XFNLDQRACSKGOD-IRXDYDNUSA-N 0 3 302.443 3.297 20 30 DGEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC2CCC2)CC1 ZINC000348332766 434287456 /nfs/dbraw/zinc/28/74/56/434287456.db2.gz WCBLNRFNUXVDAT-KRWDZBQOSA-N 0 3 303.837 3.322 20 30 DGEDHN C=C(C)CN(CCC(=O)N1CCC[C@H]1C)Cc1ccccc1 ZINC000348244144 434287518 /nfs/dbraw/zinc/28/75/18/434287518.db2.gz SWXZFTABQYUARX-QGZVFWFLSA-N 0 3 300.446 3.466 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000365272340 434294830 /nfs/dbraw/zinc/29/48/30/434294830.db2.gz IKOWANAVUFOLFC-NRFANRHFSA-N 0 3 324.468 3.305 20 30 DGEDHN COc1ccc2occ(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)c2c1 ZINC000328700602 434299703 /nfs/dbraw/zinc/29/97/03/434299703.db2.gz IUJVJCLHRMHHFX-MEDUHNTESA-N 0 3 314.385 3.229 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)c2coc(C3CCCC3)n2)CN1C1CC1 ZINC000328779100 434308366 /nfs/dbraw/zinc/30/83/66/434308366.db2.gz UBHMAOVNSGQYEB-YPMHNXCESA-N 0 3 303.406 3.262 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000328771886 434308471 /nfs/dbraw/zinc/30/84/71/434308471.db2.gz RIGVHWCVTYQITL-IUODEOHRSA-N 0 3 303.431 3.209 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCOCC23CCCC3)c1 ZINC000328932536 434329709 /nfs/dbraw/zinc/32/97/09/434329709.db2.gz PEWCBFMSKRFAEC-UHFFFAOYSA-N 0 3 313.401 3.181 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)Nc1ccc(C#N)cc1 ZINC000437917918 434369853 /nfs/dbraw/zinc/36/98/53/434369853.db2.gz VFWAUBXWPSPSGW-UHFFFAOYSA-N 0 3 308.385 3.306 20 30 DGEDHN Cc1nncn1-c1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000329209756 434374703 /nfs/dbraw/zinc/37/47/03/434374703.db2.gz YOOIRBBMYIFGEC-STQMWFEESA-N 0 3 313.405 3.037 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000438051070 434392029 /nfs/dbraw/zinc/39/20/29/434392029.db2.gz BGEWSZSNIIUSFV-GUTXKFCHSA-N 0 3 317.458 3.097 20 30 DGEDHN N#CCCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000340754258 434342610 /nfs/dbraw/zinc/34/26/10/434342610.db2.gz GBVDINAQPBFGAC-UHFFFAOYSA-N 0 3 301.478 3.124 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000295398585 434346393 /nfs/dbraw/zinc/34/63/93/434346393.db2.gz REYZCBGYPPOTMQ-VQIMIIECSA-N 0 3 312.457 3.289 20 30 DGEDHN CN1CC=C(CNc2cc(Br)c(C#N)cc2F)CC1 ZINC000392834772 434392325 /nfs/dbraw/zinc/39/23/25/434392325.db2.gz SBIJGQCYGUQONQ-UHFFFAOYSA-N 0 3 324.197 3.134 20 30 DGEDHN CCO[C@H](C)c1ncc(C(=O)N[C@@H](C)C2=CCN(C)CC2)s1 ZINC000329318861 434393224 /nfs/dbraw/zinc/39/32/24/434393224.db2.gz IJBBUFIPHBOCOS-NWDGAFQWSA-N 0 3 323.462 3.196 20 30 DGEDHN C[C@@H](NCCc1c[nH]c2ncccc12)c1ccc(C#N)cc1F ZINC000358578680 434399059 /nfs/dbraw/zinc/39/90/59/434399059.db2.gz WERKAZSRIBBESN-GFCCVEGCSA-N 0 3 308.360 3.467 20 30 DGEDHN CC[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000359079708 434411681 /nfs/dbraw/zinc/41/16/81/434411681.db2.gz XFAPSUDSRBCLFT-RTBURBONSA-N 0 3 319.408 3.404 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000359248447 434415283 /nfs/dbraw/zinc/41/52/83/434415283.db2.gz CIBQUOUUCDQZJA-BZUAXINKSA-N 0 3 319.497 3.287 20 30 DGEDHN CSCc1cc(F)ccc1CNCc1cc(C#N)n(C)c1 ZINC000359737387 434422132 /nfs/dbraw/zinc/42/21/32/434422132.db2.gz UFEBOFACFWPBOM-UHFFFAOYSA-N 0 3 303.406 3.189 20 30 DGEDHN CCc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cnn1CC(C)C ZINC000329482717 434422508 /nfs/dbraw/zinc/42/25/08/434422508.db2.gz DVRKEZYJTLQLNX-CQSZACIVSA-N 0 3 318.465 3.057 20 30 DGEDHN CCN1CCC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329514624 434425501 /nfs/dbraw/zinc/42/55/01/434425501.db2.gz OEJAMQNDDUUHBG-INIZCTEOSA-N 0 3 318.465 3.486 20 30 DGEDHN C=C(C)[C@H](NC[C@H]1CCNC(=O)CC1)c1ccc(F)c(F)c1 ZINC000295719005 434432063 /nfs/dbraw/zinc/43/20/63/434432063.db2.gz KXOWLPKTUCSYRF-PXAZEXFGSA-N 0 3 308.372 3.088 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CO2 ZINC000295982200 434462384 /nfs/dbraw/zinc/46/23/84/434462384.db2.gz NGYRDWXFBJULII-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN CN(CCc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000360010001 434474868 /nfs/dbraw/zinc/47/48/68/434474868.db2.gz KPNZCZXFNXVVDO-UHFFFAOYSA-N 0 3 308.381 3.004 20 30 DGEDHN Cc1nc(NC[C@@H](C)N2CCC[C@@H](C)C2)c(Cl)cc1C#N ZINC000359892395 434449222 /nfs/dbraw/zinc/44/92/22/434449222.db2.gz AHYOKYWIHIDYTA-VXGBXAGGSA-N 0 3 306.841 3.447 20 30 DGEDHN CC(C)(C)SCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367112040 434540563 /nfs/dbraw/zinc/54/05/63/434540563.db2.gz BATDNPAWICEPDX-UHFFFAOYSA-N 0 3 303.475 3.470 20 30 DGEDHN N#CCC[C@H](NC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1 ZINC000417925266 434551883 /nfs/dbraw/zinc/55/18/83/434551883.db2.gz YBWJQZXMTUAWNU-MSOLQXFVSA-N 0 3 322.412 3.031 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCCC#N)CC2)C1 ZINC000368102057 434566643 /nfs/dbraw/zinc/56/66/43/434566643.db2.gz WSLDLIUBXXMISB-MRXNPFEDSA-N 0 3 321.465 3.259 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000368032209 434564466 /nfs/dbraw/zinc/56/44/66/434564466.db2.gz XULRAGALWKLWDF-UHFFFAOYSA-N 0 3 305.356 3.283 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]2CCCO[C@H]21 ZINC000451474221 434570093 /nfs/dbraw/zinc/57/00/93/434570093.db2.gz AHSYBYYMLRAQPE-GVDBMIGSSA-N 0 3 303.833 3.485 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@H]2CCCO[C@H]21 ZINC000451483593 434572634 /nfs/dbraw/zinc/57/26/34/434572634.db2.gz YIAXTRMEKCQJJN-BRWVUGGUSA-N 0 3 303.833 3.485 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C)C(C)(C)C1 ZINC000354012730 434573800 /nfs/dbraw/zinc/57/38/00/434573800.db2.gz ANPISRWNOAMJNV-CQSZACIVSA-N 0 3 302.418 3.314 20 30 DGEDHN CC(C)(C)c1nc2cc(NC(=O)[C@H](N)CCCC#N)ccc2o1 ZINC000424094803 434620477 /nfs/dbraw/zinc/62/04/77/434620477.db2.gz VNABQWKXXDURLZ-GFCCVEGCSA-N 0 3 314.389 3.085 20 30 DGEDHN CCC[C@H]1CCc2nc(NC(=O)[C@@H](N)CCCC#N)sc2C1 ZINC000424113202 434624165 /nfs/dbraw/zinc/62/41/65/434624165.db2.gz MIVISFYKEXTOHQ-RYUDHWBXSA-N 0 3 320.462 3.008 20 30 DGEDHN Cc1nc(-c2ccccc2)c(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424112615 434624629 /nfs/dbraw/zinc/62/46/29/434624629.db2.gz KHODOVFYCPEZPI-CYBMUJFWSA-N 0 3 314.414 3.078 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000424128691 434629911 /nfs/dbraw/zinc/62/99/11/434629911.db2.gz WYDBVLLFAJYUDC-IAGOWNOFSA-N 0 3 317.408 3.194 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)C(C)C)C1=O ZINC000410312207 434638443 /nfs/dbraw/zinc/63/84/43/434638443.db2.gz PBSDBYGMXLAXTO-HOTGVXAUSA-N 0 3 306.837 3.414 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000424163276 434641524 /nfs/dbraw/zinc/64/15/24/434641524.db2.gz ZNLXBYMOXXXMAC-ZDUSSCGKSA-N 0 3 313.323 3.141 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(CC)cc2)C(C)C)C1=O ZINC000410418340 434644192 /nfs/dbraw/zinc/64/41/92/434644192.db2.gz NOBYWNZBLLJTMD-ZWKOTPCHSA-N 0 3 300.446 3.323 20 30 DGEDHN C=CCN(C(=O)C1(C)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000369731437 434599682 /nfs/dbraw/zinc/59/96/82/434599682.db2.gz VAZHTMJYBHVRAE-UHFFFAOYSA-N 0 3 312.457 3.466 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000370300837 434612430 /nfs/dbraw/zinc/61/24/30/434612430.db2.gz YUXNHPDXKAFGHI-IBGZPJMESA-N 0 3 315.461 3.116 20 30 DGEDHN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(OCC#N)cc1 ZINC000360791662 434696881 /nfs/dbraw/zinc/69/68/81/434696881.db2.gz HMJGJAYMYCTHPI-QRWLVFNGSA-N 0 3 321.424 3.426 20 30 DGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)c(SC)cc1OC ZINC000424200059 434656508 /nfs/dbraw/zinc/65/65/08/434656508.db2.gz QWTWYIUUIGIIHU-WCQYABFASA-N 0 3 306.431 3.208 20 30 DGEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000360644525 434657026 /nfs/dbraw/zinc/65/70/26/434657026.db2.gz AZZKISOVGLFKKR-DYVFJYSZSA-N 0 3 313.445 3.219 20 30 DGEDHN COc1ccc(CNCC(C)(C)CC#N)cc1Br ZINC000459692629 434668310 /nfs/dbraw/zinc/66/83/10/434668310.db2.gz MMNBVWLIQSIOLF-UHFFFAOYSA-N 0 3 311.223 3.487 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000371333257 434672505 /nfs/dbraw/zinc/67/25/05/434672505.db2.gz CYSPAAAITBZKQJ-UHFFFAOYSA-N 0 3 313.441 3.480 20 30 DGEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2ccc(F)cc2)nn1 ZINC000424291596 434681608 /nfs/dbraw/zinc/68/16/08/434681608.db2.gz DUTYRXFIDQGAFH-IRXDYDNUSA-N 0 3 300.381 3.029 20 30 DGEDHN COc1cc(CNC[C@H](C)Oc2cccc(C)c2)ccc1C#N ZINC000440823614 434749974 /nfs/dbraw/zinc/74/99/74/434749974.db2.gz FKCHHFPGOIFESF-HNNXBMFYSA-N 0 3 310.397 3.432 20 30 DGEDHN Cc1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1C#N ZINC000440467127 434702282 /nfs/dbraw/zinc/70/22/82/434702282.db2.gz GQDJMKCYAYSFHZ-HXUWFJFHSA-N 0 3 306.409 3.180 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000452798892 434719287 /nfs/dbraw/zinc/71/92/87/434719287.db2.gz XNTQBUUNSURPFB-CRAIPNDOSA-N 0 3 320.392 3.268 20 30 DGEDHN CCn1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1=O ZINC000360881996 434720017 /nfs/dbraw/zinc/72/00/17/434720017.db2.gz BLDOFLPEPDUQRC-LJQANCHMSA-N 0 3 321.424 3.297 20 30 DGEDHN CC1(C)CCC(C)(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000419315179 434770384 /nfs/dbraw/zinc/77/03/84/434770384.db2.gz JJMXUXCUKDXQNT-MRXNPFEDSA-N 0 3 313.445 3.281 20 30 DGEDHN CO[C@@H](CC(C)C)CN(C)CCOCc1ccc(C#N)cc1 ZINC000419271280 434760367 /nfs/dbraw/zinc/76/03/67/434760367.db2.gz FMSYFDRUGYVAQJ-SFHVURJKSA-N 0 3 304.434 3.068 20 30 DGEDHN CO[C@H](CC(C)C)CN(C)CCOCc1ccc(C#N)cc1 ZINC000419271278 434761776 /nfs/dbraw/zinc/76/17/76/434761776.db2.gz FMSYFDRUGYVAQJ-GOSISDBHSA-N 0 3 304.434 3.068 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419335752 434772891 /nfs/dbraw/zinc/77/28/91/434772891.db2.gz WGXGBLAAIPDDCP-PMPSAXMXSA-N 0 3 307.482 3.141 20 30 DGEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCCCC(C)(C)C#N ZINC000444649137 434787337 /nfs/dbraw/zinc/78/73/37/434787337.db2.gz LIONHOHNVMGXRR-SJORKVTESA-N 0 3 307.482 3.428 20 30 DGEDHN COCCOc1ccc([C@H](C)N[C@H](C)CCC#N)cc1OC ZINC000411446083 434780651 /nfs/dbraw/zinc/78/06/51/434780651.db2.gz HZVFTCDTXLRPFM-KGLIPLIRSA-N 0 3 306.406 3.063 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000372002127 434783145 /nfs/dbraw/zinc/78/31/45/434783145.db2.gz DBSIIXYTRIGBEY-AEFFLSMTSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC[C@H](C)N(C)C2CC2)CCCC1(C)C ZINC000445010324 434791545 /nfs/dbraw/zinc/79/15/45/434791545.db2.gz FXEPLBPWKDMVTP-HOCLYGCPSA-N 0 3 307.482 3.245 20 30 DGEDHN CCc1cnccc1[C@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000411509248 434791970 /nfs/dbraw/zinc/79/19/70/434791970.db2.gz WBLYFSBBFNTEFK-AWEZNQCLSA-N 0 3 322.412 3.195 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419452478 434793131 /nfs/dbraw/zinc/79/31/31/434793131.db2.gz HAUJVKNOIZXLRZ-IAGOWNOFSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1C(C)C ZINC000411648120 434812992 /nfs/dbraw/zinc/81/29/92/434812992.db2.gz ZKLPYJQYRZHMBP-UHFFFAOYSA-N 0 3 317.477 3.188 20 30 DGEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCC1(C#N)CCCCC1 ZINC000411657566 434813586 /nfs/dbraw/zinc/81/35/86/434813586.db2.gz UMHWALQEEBVAHF-QGZVFWFLSA-N 0 3 319.493 3.036 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000372262716 434819826 /nfs/dbraw/zinc/81/98/26/434819826.db2.gz VJABUHNESUZZSW-MSOLQXFVSA-N 0 3 300.402 3.026 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CC2CCCCC2)CC1 ZINC000446199328 434854092 /nfs/dbraw/zinc/85/40/92/434854092.db2.gz ALBAXHVEXVSYOK-HNNXBMFYSA-N 0 3 307.482 3.295 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000372892906 434861041 /nfs/dbraw/zinc/86/10/41/434861041.db2.gz SYFVXJVHSHNASL-IEBWSBKVSA-N 0 3 312.457 3.474 20 30 DGEDHN C#C[C@@H](CC)NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000491815065 434866596 /nfs/dbraw/zinc/86/65/96/434866596.db2.gz TZYZYZMYLLUWOG-SFHVURJKSA-N 0 3 316.408 3.436 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460971410 434866819 /nfs/dbraw/zinc/86/68/19/434866819.db2.gz YHZYKXIKXPDXDN-SJLPKXTDSA-N 0 3 314.473 3.365 20 30 DGEDHN C=CCOCCN1CCCN(c2cccc(Cl)c2C)CC1 ZINC000555510965 434974593 /nfs/dbraw/zinc/97/45/93/434974593.db2.gz HKSIQPJDBGBYFY-UHFFFAOYSA-N 0 3 308.853 3.363 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000522467684 434923968 /nfs/dbraw/zinc/92/39/68/434923968.db2.gz YJRIZKIOCSZWRG-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]2C1)C(C)C ZINC000465132213 435019516 /nfs/dbraw/zinc/01/95/16/435019516.db2.gz DDBHOFNTGSEKBS-FGTMMUONSA-N 0 3 319.493 3.127 20 30 DGEDHN CN(CC1(C#N)CCC1)[C@H]1CCCN(CC2(C#N)CCC2)CC1 ZINC000574486062 434981925 /nfs/dbraw/zinc/98/19/25/434981925.db2.gz QWCVZZXUXJPROI-KRWDZBQOSA-N 0 3 314.477 3.160 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(CCC)CCc1cccs1 ZINC000464575826 434992634 /nfs/dbraw/zinc/99/26/34/434992634.db2.gz HQSJZRCDTOTMII-UHFFFAOYSA-N 0 3 308.491 3.427 20 30 DGEDHN C=CCN(Cc1cccc(C(=O)OC)n1)CC1CCCCC1 ZINC000556056594 434993155 /nfs/dbraw/zinc/99/31/55/434993155.db2.gz VPZYVDHUNACSKM-UHFFFAOYSA-N 0 3 302.418 3.437 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCSC(CC)(CC)C1 ZINC000464584253 434993941 /nfs/dbraw/zinc/99/39/41/434993941.db2.gz IEEPPXYALAUUAR-HNNXBMFYSA-N 0 3 310.507 3.183 20 30 DGEDHN CN(Cc1ccccc1)C1(CNC[C@@H](C#N)CCC#N)CCC1 ZINC000574787066 435002847 /nfs/dbraw/zinc/00/28/47/435002847.db2.gz NBRHHIBJCQQWPB-GOSISDBHSA-N 0 3 310.445 3.074 20 30 DGEDHN CN(Cc1ccccc1)C1(CNC[C@H](C#N)CCC#N)CCC1 ZINC000574787072 435003874 /nfs/dbraw/zinc/00/38/74/435003874.db2.gz NBRHHIBJCQQWPB-SFHVURJKSA-N 0 3 310.445 3.074 20 30 DGEDHN CCC[C@@]1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000464845539 435005952 /nfs/dbraw/zinc/00/59/52/435005952.db2.gz FVSVBWRACXNYOH-IBGZPJMESA-N 0 3 313.445 3.077 20 30 DGEDHN C[C@H](Cc1ccsc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525830804 435007156 /nfs/dbraw/zinc/00/71/56/435007156.db2.gz UUUZXJTZCFZUKK-CXAGYDPISA-N 0 3 323.421 3.049 20 30 DGEDHN CC#CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000525633637 435007586 /nfs/dbraw/zinc/00/75/86/435007586.db2.gz ITNZBPMBBAIDMD-UHFFFAOYSA-N 0 3 310.363 3.236 20 30 DGEDHN CCc1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000527128675 435009642 /nfs/dbraw/zinc/00/96/42/435009642.db2.gz RSSUKGCDOYHUFK-GOSISDBHSA-N 0 3 313.445 3.098 20 30 DGEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@@H](CC)c1ccccc1 ZINC000527377566 435011469 /nfs/dbraw/zinc/01/14/69/435011469.db2.gz RRCSFLOQNROTMU-KRWDZBQOSA-N 0 3 313.445 3.412 20 30 DGEDHN N#CCCC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000577494734 435061341 /nfs/dbraw/zinc/06/13/41/435061341.db2.gz BLINCFXGNXGWMX-SFHVURJKSA-N 0 3 309.413 3.301 20 30 DGEDHN N#Cc1ccnc(NC[C@H]2CCCN2C2CCCCC2)c1Cl ZINC000557674266 435063010 /nfs/dbraw/zinc/06/30/10/435063010.db2.gz YIASHWAKXYMIFA-OAHLLOKOSA-N 0 3 318.852 3.816 20 30 DGEDHN N#Cc1cccc(CCNCc2ccccc2OC(F)F)c1 ZINC000466412885 435077093 /nfs/dbraw/zinc/07/70/93/435077093.db2.gz XXULVRFYLVGTEK-UHFFFAOYSA-N 0 3 302.324 3.492 20 30 DGEDHN CC(C)(CC#N)CNC[C@@H](O)COc1cccc2ccccc21 ZINC000575797427 435053443 /nfs/dbraw/zinc/05/34/43/435053443.db2.gz VWUNARGRNBVTKP-MRXNPFEDSA-N 0 3 312.413 3.109 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000474331370 435146144 /nfs/dbraw/zinc/14/61/44/435146144.db2.gz NSCIYHZPFRSDKE-MRXNPFEDSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000466783668 435093168 /nfs/dbraw/zinc/09/31/68/435093168.db2.gz ZIZRSJMQYHYSEH-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN Cn1cc(CCCNCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000638903040 435115245 /nfs/dbraw/zinc/11/52/45/435115245.db2.gz SJQLZQXBEGCKTE-UHFFFAOYSA-N 0 3 321.346 3.013 20 30 DGEDHN FC(F)(F)c1ccc(C#CCNC2CC(n3cccn3)C2)cc1 ZINC000638900529 435115585 /nfs/dbraw/zinc/11/55/85/435115585.db2.gz QBLDRGSSHFIKTO-UHFFFAOYSA-N 0 3 319.330 3.247 20 30 DGEDHN COc1ccc([C@@H](C)NCCc2cccc(C#N)c2)c(OC)c1 ZINC000467442148 435121430 /nfs/dbraw/zinc/12/14/30/435121430.db2.gz KDTDTIMPLGJIRF-CQSZACIVSA-N 0 3 310.397 3.469 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000493199973 435124266 /nfs/dbraw/zinc/12/42/66/435124266.db2.gz ICNFTYYULBGESE-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC2(CCCCC2)CC1 ZINC000469864024 435133306 /nfs/dbraw/zinc/13/33/06/435133306.db2.gz DSGNLIRHEIZOJI-SFHVURJKSA-N 0 3 319.493 3.477 20 30 DGEDHN CC(C)(C)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471115312 435137305 /nfs/dbraw/zinc/13/73/05/435137305.db2.gz YGPGQAGTDKDOST-SJORKVTESA-N 0 3 309.413 3.135 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2OC)C12CCCC2 ZINC000580010502 435198309 /nfs/dbraw/zinc/19/83/09/435198309.db2.gz GAJVUASYKCMUOQ-ZWKOTPCHSA-N 0 3 314.429 3.394 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCC(C)(C#N)CC2)C1 ZINC000494973501 435199387 /nfs/dbraw/zinc/19/93/87/435199387.db2.gz SGKJMYNAEJUPRG-HNNXBMFYSA-N 0 3 321.465 3.259 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc4ccoc43)C2)nc1 ZINC000579434928 435154761 /nfs/dbraw/zinc/15/47/61/435154761.db2.gz WAHCMPHEZLHNQZ-QGZVFWFLSA-N 0 3 319.364 3.353 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000561624883 435227269 /nfs/dbraw/zinc/22/72/69/435227269.db2.gz VWZCGKRYKUMCOF-VDZJLULYSA-N 0 3 300.446 3.368 20 30 DGEDHN CC(C)(CCC#N)CN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000639267462 435221650 /nfs/dbraw/zinc/22/16/50/435221650.db2.gz REIIKZUMJOQEKS-LJQANCHMSA-N 0 3 312.413 3.426 20 30 DGEDHN C[C@@H](CCC#N)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496329399 435210784 /nfs/dbraw/zinc/21/07/84/435210784.db2.gz QZHZQOJSYZGCNA-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN CC[C@H](CC#N)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496613760 435231324 /nfs/dbraw/zinc/23/13/24/435231324.db2.gz JMOKLVSTPACVAA-HUUCEWRRSA-N 0 3 309.454 3.305 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000580512495 435237336 /nfs/dbraw/zinc/23/73/36/435237336.db2.gz QLKRPHHKCXLKFG-HOCLYGCPSA-N 0 3 320.396 3.116 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)CN2CCCCC#N ZINC000496802140 435256527 /nfs/dbraw/zinc/25/65/27/435256527.db2.gz HEVGBDNETUGLMQ-UHFFFAOYSA-N 0 3 321.465 3.450 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCCC2)CC1 ZINC000562301201 435257173 /nfs/dbraw/zinc/25/71/73/435257173.db2.gz KUIOEGNHJPZNEV-INIZCTEOSA-N 0 3 317.477 3.374 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496276936 298365137 /nfs/dbraw/zinc/36/51/37/298365137.db2.gz SBHYYMZXWJVWHB-PBHICJAKSA-N 0 3 307.438 3.012 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496276937 298365402 /nfs/dbraw/zinc/36/54/02/298365402.db2.gz SBHYYMZXWJVWHB-RHSMWYFYSA-N 0 3 307.438 3.012 20 30 DGEDHN CC(C)[C@@H]1CN(CCCOc2cccc(C#N)c2)CCS1 ZINC000477283192 435264534 /nfs/dbraw/zinc/26/45/34/435264534.db2.gz UDRSSSGTWLVSRI-KRWDZBQOSA-N 0 3 304.459 3.401 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000477299240 435264925 /nfs/dbraw/zinc/26/49/25/435264925.db2.gz MDQWTEFVXLAHMA-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cncnc1C)C(C)C ZINC000563416009 435268306 /nfs/dbraw/zinc/26/83/06/435268306.db2.gz FHNWZZUPXMRWET-MAUKXSAKSA-N 0 3 302.466 3.134 20 30 DGEDHN C=CCCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000565991212 435283144 /nfs/dbraw/zinc/28/31/44/435283144.db2.gz FMYLWTYOVUDASQ-UHFFFAOYSA-N 0 3 304.409 3.330 20 30 DGEDHN C=C(C)COCCNCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000478247399 435293583 /nfs/dbraw/zinc/29/35/83/435293583.db2.gz DPQUHLZMCIKMOY-UHFFFAOYSA-N 0 3 305.418 3.324 20 30 DGEDHN CCN(CC)[C@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000590575723 435300060 /nfs/dbraw/zinc/30/00/60/435300060.db2.gz RLWPUZZXTKOCEU-LLVKDONJSA-N 0 3 324.837 3.756 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000503315050 435305705 /nfs/dbraw/zinc/30/57/05/435305705.db2.gz WFMJFNDGKGELPY-MRXNPFEDSA-N 0 3 315.461 3.275 20 30 DGEDHN COc1ccc([C@@H](CCC#N)NC[C@H]2CC23CCOCC3)cc1 ZINC000562499067 435261574 /nfs/dbraw/zinc/26/15/74/435261574.db2.gz WDBZWOHDNUQAJS-SJLPKXTDSA-N 0 3 314.429 3.446 20 30 DGEDHN CC[C@H](Cc1ccccc1Br)N(C)C(=O)C(C)C#N ZINC000479747716 435351678 /nfs/dbraw/zinc/35/16/78/435351678.db2.gz CAWFBLBCEUIJCF-WCQYABFASA-N 0 3 323.234 3.388 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000596230072 435314176 /nfs/dbraw/zinc/31/41/76/435314176.db2.gz GFFLSDCYSRUTRS-KOLCDFICSA-N 0 3 324.837 3.802 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc3ccncc32)CC1 ZINC000648773289 435417227 /nfs/dbraw/zinc/41/72/27/435417227.db2.gz ARMSOSKCHVHULZ-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN COc1ccc2c(c1)CCN(CCOc1ccccc1C#N)CC2 ZINC000536346693 435377657 /nfs/dbraw/zinc/37/76/57/435377657.db2.gz YOHABBCVWOUCFY-UHFFFAOYSA-N 0 3 322.408 3.046 20 30 DGEDHN C=C(C)[C@@H](NC1CCN(CCOC)CC1)c1ccc(F)c(F)c1 ZINC000480661651 435389598 /nfs/dbraw/zinc/38/95/98/435389598.db2.gz INOUHCQVKWYUDV-GOSISDBHSA-N 0 3 324.415 3.282 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000639906132 435455620 /nfs/dbraw/zinc/45/56/20/435455620.db2.gz FUHQQZWYFLXCEQ-WQVCFCJDSA-N 0 3 313.800 3.226 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccccc2)CCCCC1 ZINC000515033299 435455631 /nfs/dbraw/zinc/45/56/31/435455631.db2.gz KCZOMIXPEVVPCE-MRXNPFEDSA-N 0 3 300.446 3.169 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000514693552 435430011 /nfs/dbraw/zinc/43/00/11/435430011.db2.gz QWMSHAYAVPSQRX-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000514693552 435430018 /nfs/dbraw/zinc/43/00/18/435430018.db2.gz QWMSHAYAVPSQRX-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN Clc1cccc(C#CCN2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000639819787 435432370 /nfs/dbraw/zinc/43/23/70/435432370.db2.gz ZCHLBVLNOVRGIM-QGZVFWFLSA-N 0 3 314.820 3.010 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000537399480 435440924 /nfs/dbraw/zinc/44/09/24/435440924.db2.gz VQYGFYCFBHMPCO-QZTJIDSGSA-N 0 3 315.461 3.477 20 30 DGEDHN C[C@H]1CCc2ccccc2[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000515846170 435506036 /nfs/dbraw/zinc/50/60/36/435506036.db2.gz IAOYFNOOHCLELG-UGSOOPFHSA-N 0 3 317.396 3.014 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1Cl ZINC000538813484 435525178 /nfs/dbraw/zinc/52/51/78/435525178.db2.gz SAQIHDPDPJSIKB-ZBFHGGJFSA-N 0 3 309.837 3.498 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H]3CN(C)C[C@@H]32)cc1Cl ZINC000644841824 435526028 /nfs/dbraw/zinc/52/60/28/435526028.db2.gz SBBAIBZCCMJGFN-ZBFHGGJFSA-N 0 3 306.837 3.041 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000637622212 435488359 /nfs/dbraw/zinc/48/83/59/435488359.db2.gz ZIFACQSTTAFIJI-CVEARBPZSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000644690659 435490358 /nfs/dbraw/zinc/49/03/58/435490358.db2.gz LYCQDFNITNUJKS-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC(C)C)C2CCCC2)CC1 ZINC000517341238 435590676 /nfs/dbraw/zinc/59/06/76/435590676.db2.gz IYPJRIMNEQELIL-UHFFFAOYSA-N 0 3 307.482 3.247 20 30 DGEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000486798129 435614889 /nfs/dbraw/zinc/61/48/89/435614889.db2.gz JYAKZIOLIOLVMN-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCCC[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000486791201 435615469 /nfs/dbraw/zinc/61/54/69/435615469.db2.gz LGQHJVSWZMNECI-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN CCCC1CCC(N(C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000570569725 435629867 /nfs/dbraw/zinc/62/98/67/435629867.db2.gz ALFKENPIAJQDBY-UHFFFAOYSA-N 0 3 311.433 3.392 20 30 DGEDHN CC(C)[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000487958133 435632358 /nfs/dbraw/zinc/63/23/58/435632358.db2.gz YEOSWABLYRECKJ-QGZVFWFLSA-N 0 3 324.390 3.329 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(CSC)c2)CC1 ZINC000517611613 435603404 /nfs/dbraw/zinc/60/34/04/435603404.db2.gz UEILDAHHQFERGF-UHFFFAOYSA-N 0 3 319.474 3.322 20 30 DGEDHN CC(C)c1ccc(CCNCc2cnc3c(C#N)cnn3c2)cc1 ZINC000518898364 435656723 /nfs/dbraw/zinc/65/67/23/435656723.db2.gz DYJDPZUNFGUVJN-UHFFFAOYSA-N 0 3 319.412 3.057 20 30 DGEDHN C=CCN(CCCC(=O)N(C)C)Cc1ccc(Cl)s1 ZINC000571021989 435669768 /nfs/dbraw/zinc/66/97/68/435669768.db2.gz ISLFOGREMAZHHZ-UHFFFAOYSA-N 0 3 300.855 3.258 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccnc(-c3ccccc3)c2)CC1 ZINC000490652440 435669962 /nfs/dbraw/zinc/66/99/62/435669962.db2.gz XQZBLTAZGAQIIZ-UHFFFAOYSA-N 0 3 319.408 3.032 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N ZINC000548159527 435673072 /nfs/dbraw/zinc/67/30/72/435673072.db2.gz NUSBZNQJNSRXTH-IIYDPXPESA-N 0 3 300.402 3.259 20 30 DGEDHN CCC#C[C@H](C)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649780660 435702489 /nfs/dbraw/zinc/70/24/89/435702489.db2.gz FYPDDXMKOKZXEY-DZKIICNBSA-N 0 3 301.434 3.249 20 30 DGEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000491306030 435729052 /nfs/dbraw/zinc/72/90/52/435729052.db2.gz LJLQEXRILHDOPC-NEPJUHHUSA-N 0 3 312.335 3.424 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccccc1OCc1ccncc1 ZINC000641759069 435811912 /nfs/dbraw/zinc/81/19/12/435811912.db2.gz ATQSOHWOJKWZPB-GOSISDBHSA-N 0 3 312.413 3.077 20 30 DGEDHN C=CCC[C@H](NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000655800666 435812402 /nfs/dbraw/zinc/81/24/02/435812402.db2.gz CUNLIBSOHYZTIU-NXOAAHMSSA-N 0 3 306.450 3.374 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000641767117 435816475 /nfs/dbraw/zinc/81/64/75/435816475.db2.gz GYOFQCVBBYERKY-INIZCTEOSA-N 0 3 314.454 3.291 20 30 DGEDHN Cc1cccc(CCN2CCCN(c3ccccc3C#N)CC2)n1 ZINC000572360218 435817247 /nfs/dbraw/zinc/81/72/47/435817247.db2.gz NBNOQJQMZDBKMN-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C#C[C@H](CC)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000491568604 435774410 /nfs/dbraw/zinc/77/44/10/435774410.db2.gz RACLYPYOFXBUBW-QGZVFWFLSA-N 0 3 310.397 3.171 20 30 DGEDHN C#C[C@@H](NC1CCC(C(=O)OCC)CC1)c1ccc(F)cc1 ZINC000491636599 435782341 /nfs/dbraw/zinc/78/23/41/435782341.db2.gz VOPMPVVWPSDIOX-BDVYOWHSSA-N 0 3 303.377 3.212 20 30 DGEDHN C#CCN1CCC(C(=O)NCc2ccc(C)c3ccccc23)CC1 ZINC000491625962 435783669 /nfs/dbraw/zinc/78/36/69/435783669.db2.gz IBCJHQBGLBPKBQ-UHFFFAOYSA-N 0 3 320.436 3.110 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(C)nc(N3CCCC3)n2)C1 ZINC000651816554 435837515 /nfs/dbraw/zinc/83/75/15/435837515.db2.gz ZNFFUJJHOUIOCA-HZPDHXFCSA-N 0 3 300.450 3.220 20 30 DGEDHN C=CCc1cc(CN(CC)[C@H]2CCCOC2)cc(OC)c1O ZINC000651948692 435872995 /nfs/dbraw/zinc/87/29/95/435872995.db2.gz SRLYVVVKTNHRGM-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000660867747 435911593 /nfs/dbraw/zinc/91/15/93/435911593.db2.gz FSKRBGKOIXDESH-IVSAIRAKSA-N 0 3 305.466 3.046 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000652232572 435930134 /nfs/dbraw/zinc/93/01/34/435930134.db2.gz HAYVCOHPFWVVAV-GOSISDBHSA-N 0 3 315.461 3.164 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000665389145 435964841 /nfs/dbraw/zinc/96/48/41/435964841.db2.gz CDZNGTSKXNHXTB-CGTJXYLNSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000665392921 435966252 /nfs/dbraw/zinc/96/62/52/435966252.db2.gz JGMQWMAQOGVSLB-BRWVUGGUSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000665395020 435967916 /nfs/dbraw/zinc/96/79/16/435967916.db2.gz ZNTJMJDBJLFHFN-IKGGRYGDSA-N 0 3 305.466 3.001 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1nc(C2CC2)cs1 ZINC000647376972 436035919 /nfs/dbraw/zinc/03/59/19/436035919.db2.gz HDALLTTUXNPGKL-CYBMUJFWSA-N 0 3 310.378 3.445 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccccc2OC)C1 ZINC000661377294 436049124 /nfs/dbraw/zinc/04/91/24/436049124.db2.gz NUNQEKCHTHNMAC-HOTGVXAUSA-N 0 3 316.445 3.161 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccccc2OC)C1 ZINC000661377296 436050196 /nfs/dbraw/zinc/05/01/96/436050196.db2.gz NUNQEKCHTHNMAC-JKSUJKDBSA-N 0 3 316.445 3.161 20 30 DGEDHN C=CCCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000661569538 436109488 /nfs/dbraw/zinc/10/94/88/436109488.db2.gz AXWLTRPCEKBZMD-QGZVFWFLSA-N 0 3 301.434 3.007 20 30 DGEDHN C=CCCn1cc(CNCCCc2c[nH]c3ccccc23)nn1 ZINC000657353810 436153248 /nfs/dbraw/zinc/15/32/48/436153248.db2.gz LQKMNMQBVDDUPB-UHFFFAOYSA-N 0 3 309.417 3.058 20 30 DGEDHN C=CCCn1cc(CNCCc2c[nH]c3c2cccc3CC)nn1 ZINC000657358576 436158053 /nfs/dbraw/zinc/15/80/53/436158053.db2.gz YTDKXLQLWUTBQB-UHFFFAOYSA-N 0 3 323.444 3.230 20 30 DGEDHN C[C@]12COC[C@H]1CN(CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000661709527 436160325 /nfs/dbraw/zinc/16/03/25/436160325.db2.gz XLNUXAQSAXYQSE-CVEARBPZSA-N 0 3 309.331 3.025 20 30 DGEDHN C=CCN(CC(=O)N(C)Cc1ccc(OCC)cc1)C(C)(C)C ZINC000661755582 436178648 /nfs/dbraw/zinc/17/86/48/436178648.db2.gz VCSIHPPNTALKJF-UHFFFAOYSA-N 0 3 318.461 3.330 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(F)ccc1OC(F)F ZINC000657496268 436228527 /nfs/dbraw/zinc/22/85/27/436228527.db2.gz QONJTZJEPNUGNN-GWCFXTLKSA-N 0 3 301.308 3.108 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CCC[C@H]2Cc2ccccc2)nn1 ZINC000653633906 436230184 /nfs/dbraw/zinc/23/01/84/436230184.db2.gz CUSBDVVAGQPQEU-HKUYNNGSSA-N 0 3 310.445 3.355 20 30 DGEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@]1(C)CO ZINC000662141241 436286396 /nfs/dbraw/zinc/28/63/96/436286396.db2.gz KGEKNXXTXIXCND-CZUORRHYSA-N 0 3 311.347 3.007 20 30 DGEDHN C=C[C@H](CO)NCCSc1ccnc2cc(Cl)ccc21 ZINC000662168515 436290204 /nfs/dbraw/zinc/29/02/04/436290204.db2.gz JQLCCCGHWHHUME-GFCCVEGCSA-N 0 3 308.834 3.117 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]3COC[C@H]3C2)cc1 ZINC000662031815 436252025 /nfs/dbraw/zinc/25/20/25/436252025.db2.gz BNLGUNCNOQJGNG-LSDHHAIUSA-N 0 3 309.331 3.025 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000662082934 436268864 /nfs/dbraw/zinc/26/88/64/436268864.db2.gz YOPCUYUSTCCUMI-OGWHTMIXSA-N 0 3 312.457 3.478 20 30 DGEDHN C=CCC[C@@H](O)CNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848086 436279054 /nfs/dbraw/zinc/27/90/54/436279054.db2.gz RHHFHPWEZMCDIA-CYBMUJFWSA-N 0 3 315.335 3.491 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(Br)c(Cl)c1 ZINC000658334247 436432441 /nfs/dbraw/zinc/43/24/41/436432441.db2.gz GLOOUXWDVGVDBC-PSASIEDQSA-N 0 3 304.615 3.300 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658334896 436433194 /nfs/dbraw/zinc/43/31/94/436433194.db2.gz WYWLCCCGFBXCAM-BLLLJJGKSA-N 0 3 301.386 3.055 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000659022391 436459339 /nfs/dbraw/zinc/45/93/39/436459339.db2.gz QBBOHOIMIUSRKH-CYBMUJFWSA-N 0 3 317.408 3.291 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2OC(C)(C)C3)nc(C)n1 ZINC000654970045 436478474 /nfs/dbraw/zinc/47/84/74/436478474.db2.gz VBOWOFRAEBUJFV-HNNXBMFYSA-N 0 3 321.380 3.297 20 30 DGEDHN CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000655436335 436548631 /nfs/dbraw/zinc/54/86/31/436548631.db2.gz RSBCAQNURKDHEC-HNNXBMFYSA-N 0 3 315.417 3.265 20 30 DGEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000664542190 436615615 /nfs/dbraw/zinc/61/56/15/436615615.db2.gz UJOHZSGSRCONRW-IRXDYDNUSA-N 0 3 315.461 3.476 20 30 DGEDHN C=C(C)[C@H](NC[C@@H](OC)[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000660312059 436621496 /nfs/dbraw/zinc/62/14/96/436621496.db2.gz NRPUZKTUNRZHIS-XKQJLSEDSA-N 0 3 311.372 3.223 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C1 ZINC000282259357 303158411 /nfs/dbraw/zinc/15/84/11/303158411.db2.gz CPWXRCSWOPHWRT-BHIYHBOVSA-N 0 3 321.424 3.262 20 30 DGEDHN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCCN1C1CCCC1)CC2 ZINC000450257155 303201643 /nfs/dbraw/zinc/20/16/43/303201643.db2.gz KEUSTUHDCOWJPF-SFHVURJKSA-N 0 3 323.440 3.244 20 30 DGEDHN CN(CCCNCc1cc(C#N)cs1)c1ccccc1F ZINC000177688827 312783014 /nfs/dbraw/zinc/78/30/14/312783014.db2.gz CDEXPIRFNHVGSH-UHFFFAOYSA-N 0 3 303.406 3.375 20 30 DGEDHN CN(C)CCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCCC1 ZINC000542549617 314083954 /nfs/dbraw/zinc/08/39/54/314083954.db2.gz BKGDMZPONGHGPQ-UHFFFAOYSA-N 0 3 319.836 3.158 20 30 DGEDHN C[C@@H](CN1CCN(c2cnccc2C#N)CC1)C1CCCCC1 ZINC000559247552 314877956 /nfs/dbraw/zinc/87/79/56/314877956.db2.gz CEBFAXCQBKXTDT-INIZCTEOSA-N 0 3 312.461 3.292 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1NC1CCN(C2CC2)CC1 ZINC000562721707 315048070 /nfs/dbraw/zinc/04/80/70/315048070.db2.gz YCFXMYJUEGYIPV-UHFFFAOYSA-N 0 3 310.323 3.011 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000563794438 315138246 /nfs/dbraw/zinc/13/82/46/315138246.db2.gz GHBQTZFUXPUJHI-ZWKOTPCHSA-N 0 3 319.408 3.362 20 30 DGEDHN Cc1cc(C)c(CNC[C@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000564565211 315183000 /nfs/dbraw/zinc/18/30/00/315183000.db2.gz SIJVWKVLMHUIDF-SFHVURJKSA-N 0 3 324.424 3.013 20 30 DGEDHN Cc1csc(NC(=O)N(CCN(C)C)C2CCCC2)c1C#N ZINC000571773530 315743924 /nfs/dbraw/zinc/74/39/24/315743924.db2.gz FKKCDPMFRXKMNL-UHFFFAOYSA-N 0 3 320.462 3.266 20 30 DGEDHN CCC[C@H](NCc1cccc(C(=O)OC)c1C#N)C1CCC1 ZINC000574902778 316014402 /nfs/dbraw/zinc/01/44/02/316014402.db2.gz IYKPBLALPKOZCK-KRWDZBQOSA-N 0 3 300.402 3.403 20 30 DGEDHN COc1ccc(C[C@@H](C)CN(C)Cc2ccc(C#N)cn2)cc1 ZINC000576594146 316147105 /nfs/dbraw/zinc/14/71/05/316147105.db2.gz KFLQKFVTZOLDHK-OAHLLOKOSA-N 0 3 309.413 3.272 20 30 DGEDHN COc1ccc([C@H](CCO)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181911955 323274719 /nfs/dbraw/zinc/27/47/19/323274719.db2.gz DJPJVUZLIYHGKG-KUHUBIRLSA-N 0 3 310.397 3.341 20 30 DGEDHN C[C@H](NCCNC(=O)CC1CCCCC1)c1cccc(C#N)c1 ZINC000181959101 323276858 /nfs/dbraw/zinc/27/68/58/323276858.db2.gz VIDHNFGFLCFKFL-HNNXBMFYSA-N 0 3 313.445 3.295 20 30 DGEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000183363444 323334949 /nfs/dbraw/zinc/33/49/49/323334949.db2.gz SPJPULAAOUZTBC-CABCVRRESA-N 0 3 307.397 3.279 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)C[C@H](C)c1nccs1 ZINC000183957142 323351970 /nfs/dbraw/zinc/35/19/70/323351970.db2.gz PGCBPHWPYCJIQQ-LBPRGKRZSA-N 0 3 301.415 3.259 20 30 DGEDHN Cc1c(Br)cccc1CNCc1cc(C#N)n(C)c1 ZINC000582615687 324253798 /nfs/dbraw/zinc/25/37/98/324253798.db2.gz BAOBDMMUZRQBPW-UHFFFAOYSA-N 0 3 318.218 3.258 20 30 DGEDHN Cc1cc(CNCc2ccccc2Cn2cccn2)ccc1C#N ZINC000443972696 533708801 /nfs/dbraw/zinc/70/88/01/533708801.db2.gz XJIYZPBQEAQPOX-UHFFFAOYSA-N 0 3 316.408 3.401 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CCCC)CC1 ZINC000171733565 332906924 /nfs/dbraw/zinc/90/69/24/332906924.db2.gz YLCXUWXUAZXZEY-DOTOQJQBSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccsc1)C(C)C ZINC000047633564 331588571 /nfs/dbraw/zinc/58/85/71/331588571.db2.gz FTAXTODAKYQRMQ-INIZCTEOSA-N 0 3 306.475 3.105 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000255064528 331669661 /nfs/dbraw/zinc/66/96/61/331669661.db2.gz MPBTYLJKTSDGFI-CTOCQWKHSA-N 0 3 314.429 3.183 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C\SCc2ccco2)CC1 ZINC000255213787 331724794 /nfs/dbraw/zinc/72/47/94/331724794.db2.gz OBJNPPFCURFIEO-XFFZJAGNSA-N 0 3 320.458 3.183 20 30 DGEDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000557468552 331793057 /nfs/dbraw/zinc/79/30/57/331793057.db2.gz GYZWVWJEAFLDPD-APWZRJJASA-N 0 3 324.424 3.152 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000292885395 335097405 /nfs/dbraw/zinc/09/74/05/335097405.db2.gz TURSAXQJLQNBFO-OAHLLOKOSA-N 0 3 315.461 3.326 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000583383389 332376841 /nfs/dbraw/zinc/37/68/41/332376841.db2.gz CDCZFWHYXSMFJT-MJGOQNOKSA-N 0 3 319.408 3.170 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)C[C@@H]1C)C(C)C ZINC000564501160 332387940 /nfs/dbraw/zinc/38/79/40/332387940.db2.gz YCNWGURTIUWYKX-YESZJQIVSA-N 0 3 307.482 3.125 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@H]1C)C(C)C ZINC000564501152 332387980 /nfs/dbraw/zinc/38/79/80/332387980.db2.gz YCNWGURTIUWYKX-BRWVUGGUSA-N 0 3 307.482 3.125 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000560855620 332390426 /nfs/dbraw/zinc/39/04/26/332390426.db2.gz RZYOBZKASGYACD-DOTOQJQBSA-N 0 3 313.445 3.182 20 30 DGEDHN N#CCNC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000150793310 332429433 /nfs/dbraw/zinc/42/94/33/332429433.db2.gz URCSXHVSAPEBRV-QGZVFWFLSA-N 0 3 319.836 3.191 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000248430697 332590848 /nfs/dbraw/zinc/59/08/48/332590848.db2.gz PWRPBSUPROVYLT-SZMVWBNQSA-N 0 3 319.493 3.247 20 30 DGEDHN CC(C#N)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000501330420 333272348 /nfs/dbraw/zinc/27/23/48/333272348.db2.gz QHAYGSJAHBUABL-CYBMUJFWSA-N 0 3 312.344 3.436 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000188511024 333370157 /nfs/dbraw/zinc/37/01/57/333370157.db2.gz AXOUEIYLHRIFEV-KVSKMBFKSA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc(N2CCOC2=O)c1 ZINC000272056717 334030136 /nfs/dbraw/zinc/03/01/36/334030136.db2.gz VQBBOTJXEQIRIR-CYBMUJFWSA-N 0 3 301.390 3.234 20 30 DGEDHN COc1cc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc(OC)c1OC ZINC000274197565 334056766 /nfs/dbraw/zinc/05/67/66/334056766.db2.gz JQHAQSLAZHTGHR-GZBFAFLISA-N 0 3 318.417 3.445 20 30 DGEDHN N#CCCOCCNC1(c2ccc(Br)cc2)CCC1 ZINC000292925843 334194408 /nfs/dbraw/zinc/19/44/08/334194408.db2.gz YMKGGZDFENVTEA-UHFFFAOYSA-N 0 3 323.234 3.348 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297539949 334242306 /nfs/dbraw/zinc/24/23/06/334242306.db2.gz OSIVNNHVEZEBCS-ZWKOTPCHSA-N 0 3 313.445 3.017 20 30 DGEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000119750060 334285065 /nfs/dbraw/zinc/28/50/65/334285065.db2.gz NWMBSIQBPUWIMD-UHFFFAOYSA-N 0 3 322.399 3.049 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(SC)o1)C(C)C ZINC000112403616 334681174 /nfs/dbraw/zinc/68/11/74/334681174.db2.gz GCJNMMVFBPWXTQ-AWEZNQCLSA-N 0 3 322.474 3.430 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(CC)cc2)CC1 ZINC000520709699 336028739 /nfs/dbraw/zinc/02/87/39/336028739.db2.gz BKIOQMIPZNVLPJ-UHFFFAOYSA-N 0 3 315.461 3.041 20 30 DGEDHN C=CC[C@@H](CO)CNCc1c(Cl)cc(Cl)cc1N(C)C ZINC000352805039 336241552 /nfs/dbraw/zinc/24/15/52/336241552.db2.gz XWOOPWIVIZPAKQ-LLVKDONJSA-N 0 3 317.260 3.334 20 30 DGEDHN C=C(C)COc1cc(CN[C@]2(C)CCCOC2)ccc1OC ZINC000357361782 336582426 /nfs/dbraw/zinc/58/24/26/336582426.db2.gz YTMLOIKXJYYKBA-GOSISDBHSA-N 0 3 305.418 3.309 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@H](OC)CC2)cc(OC)c1O ZINC000378633206 337077145 /nfs/dbraw/zinc/07/71/45/337077145.db2.gz NZKCGGHABLPGHL-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN N#CCc1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000582530867 337105646 /nfs/dbraw/zinc/10/56/46/337105646.db2.gz KBZHEYQZZCSVFA-SFHVURJKSA-N 0 3 311.429 3.488 20 30 DGEDHN CN(C(=O)[C@H](N)CCCC#N)C1c2ccccc2-c2ccccc21 ZINC000424167962 337790524 /nfs/dbraw/zinc/79/05/24/337790524.db2.gz FJYWFCJMTTWODF-GOSISDBHSA-N 0 3 319.408 3.236 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000083231844 337994688 /nfs/dbraw/zinc/99/46/88/337994688.db2.gz IIIXFRLDJRZKDY-HOTGVXAUSA-N 0 3 315.461 3.128 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(F)c2)C2CCCC2)C1=O ZINC000499614127 340041082 /nfs/dbraw/zinc/04/10/82/340041082.db2.gz ZKQQZCCOQPPKSV-ZWKOTPCHSA-N 0 3 316.420 3.434 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)c(O)c1)C(C)C ZINC000500629844 340064132 /nfs/dbraw/zinc/06/41/32/340064132.db2.gz FTWKVZIWBQRPGK-QGZVFWFLSA-N 0 3 316.445 3.129 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1(C)CCCC1)C(C)C ZINC000503393837 340127238 /nfs/dbraw/zinc/12/72/38/340127238.db2.gz BAAJRJWBAVOHRH-MRXNPFEDSA-N 0 3 307.482 3.317 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(CCC)CC2)ccc1OC ZINC000505277945 340165417 /nfs/dbraw/zinc/16/54/17/340165417.db2.gz SZRJRDYATZXKJC-UHFFFAOYSA-N 0 3 318.461 3.178 20 30 DGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N(CC)CC ZINC000505693202 340175062 /nfs/dbraw/zinc/17/50/62/340175062.db2.gz DCHPTXHBNLVVLT-HUUCEWRRSA-N 0 3 307.825 3.141 20 30 DGEDHN C=CCOc1cccc(CN2CCN(C3CCCC3)CC2)c1 ZINC000506357340 340193311 /nfs/dbraw/zinc/19/33/11/340193311.db2.gz QJHSPEJRIVGAKO-UHFFFAOYSA-N 0 3 300.446 3.312 20 30 DGEDHN C=CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508896360 340255390 /nfs/dbraw/zinc/25/53/90/340255390.db2.gz MKMAQKJFQYIHHY-CRAIPNDOSA-N 0 3 315.461 3.285 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(Br)cc1F ZINC000301948907 340265106 /nfs/dbraw/zinc/26/51/06/340265106.db2.gz HVMABVPIYXGPPA-JTQLQIEISA-N 0 3 302.187 3.441 20 30 DGEDHN C[C@@H]1CN(C)[C@@H](C)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000509435813 340269445 /nfs/dbraw/zinc/26/94/45/340269445.db2.gz IYPQXFVLWMWZHF-UONOGXRCSA-N 0 3 310.363 3.081 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000509586587 340274284 /nfs/dbraw/zinc/27/42/84/340274284.db2.gz PQWZCGRUDASCOY-HOCLYGCPSA-N 0 3 319.449 3.316 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCCN1CC ZINC000303509829 340328781 /nfs/dbraw/zinc/32/87/81/340328781.db2.gz WRHUMFQRZYFAKO-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000303648437 340339461 /nfs/dbraw/zinc/33/94/61/340339461.db2.gz TWQVGAVMDDGWFC-LJQANCHMSA-N 0 3 312.457 3.203 20 30 DGEDHN C=C(CNC(=O)N(CCN(C)C)C1CCCC1)c1ccccc1 ZINC000512682048 340372835 /nfs/dbraw/zinc/37/28/35/340372835.db2.gz SSJUYZDQZZPJDV-UHFFFAOYSA-N 0 3 315.461 3.216 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000513192786 340396407 /nfs/dbraw/zinc/39/64/07/340396407.db2.gz RFNPDSRTMBJHCR-CQSZACIVSA-N 0 3 320.864 3.432 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000187274755 340518878 /nfs/dbraw/zinc/51/88/78/340518878.db2.gz VBDLVMCUPCLHER-WMZOPIPTSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000522083289 340569842 /nfs/dbraw/zinc/56/98/42/340569842.db2.gz KRKYKBKQZFNWSW-HOTGVXAUSA-N 0 3 300.446 3.193 20 30 DGEDHN CCC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000193631214 340580659 /nfs/dbraw/zinc/58/06/59/340580659.db2.gz TVBACRQDIZUQAZ-FUHWJXTLSA-N 0 3 301.434 3.172 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528450411 340719706 /nfs/dbraw/zinc/71/97/06/340719706.db2.gz SCQGGPWFWNLJDP-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN CCC(C#N)(CC)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000529480157 340757309 /nfs/dbraw/zinc/75/73/09/340757309.db2.gz BDLCRVWCQPUUQW-UHFFFAOYSA-N 0 3 321.396 3.035 20 30 DGEDHN CN(C)CCN(C(=O)c1cccc(CC#N)c1)C1CCCCC1 ZINC000067869789 340862611 /nfs/dbraw/zinc/86/26/11/340862611.db2.gz IWUQNKBDRILTRE-UHFFFAOYSA-N 0 3 313.445 3.089 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)NCC#N)[C@H]1CCC[C@H](C)C1 ZINC000539260491 340878805 /nfs/dbraw/zinc/87/88/05/340878805.db2.gz BZVODQSSOZXXFZ-URLQWDBASA-N 0 3 313.445 3.092 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C(C)(C)C)C1 ZINC000542319598 341004669 /nfs/dbraw/zinc/00/46/69/341004669.db2.gz JGVNDSWRGQCNTM-HUUCEWRRSA-N 0 3 305.466 3.086 20 30 DGEDHN C=C[C@H](CC(=O)N(CCN(C)C)CC(C)C)c1ccccc1 ZINC000130238888 341008061 /nfs/dbraw/zinc/00/80/61/341008061.db2.gz QLTURHQPOYBQFA-QGZVFWFLSA-N 0 3 302.462 3.393 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000544432832 341082056 /nfs/dbraw/zinc/08/20/56/341082056.db2.gz JELFRUOJKLIIPV-OAFZBRQQSA-N 0 3 315.461 3.211 20 30 DGEDHN CC1(C)OCc2cc(CN3CCC(CC#N)CC3)ccc2O1 ZINC000545303277 341120173 /nfs/dbraw/zinc/12/01/73/341120173.db2.gz ZYSBSKPJTXYKAC-UHFFFAOYSA-N 0 3 300.402 3.457 20 30 DGEDHN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)N(CC)CCC#N ZINC000075886005 341188085 /nfs/dbraw/zinc/18/80/85/341188085.db2.gz HMZHRQRIIUNTIP-GOSISDBHSA-N 0 3 315.461 3.010 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000548098797 341247153 /nfs/dbraw/zinc/24/71/53/341247153.db2.gz BDCMZHBIKHOMBW-WJFTUGDTSA-N 0 3 321.424 3.326 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000079292504 341256463 /nfs/dbraw/zinc/25/64/63/341256463.db2.gz AZHDUCUDKXYBAJ-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](CN(CCC#N)CC2CC2)C1 ZINC000081044353 341278859 /nfs/dbraw/zinc/27/88/59/341278859.db2.gz WSKWMGKMLAVYGU-MRXNPFEDSA-N 0 3 321.465 3.259 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)CC1 ZINC000549274431 341290312 /nfs/dbraw/zinc/29/03/12/341290312.db2.gz OTQTXPXOBZBTJM-MRXNPFEDSA-N 0 3 319.497 3.146 20 30 DGEDHN C=CCOCCN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000549464257 341295186 /nfs/dbraw/zinc/29/51/86/341295186.db2.gz RMNVGWVENAUORA-IBGZPJMESA-N 0 3 303.446 3.221 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[C@H]1O ZINC000246479606 341350329 /nfs/dbraw/zinc/35/03/29/341350329.db2.gz JRGVLXNSDKQNKG-GOEBONIOSA-N 0 3 311.347 3.150 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000248597660 341380794 /nfs/dbraw/zinc/38/07/94/341380794.db2.gz UCNKRNBERZRWCB-BFYDXBDKSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C)c1ccccc1 ZINC000249274991 341395640 /nfs/dbraw/zinc/39/56/40/341395640.db2.gz LQOMNSPZZUPOMN-BPQIPLTHSA-N 0 3 300.446 3.191 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000249535495 341399051 /nfs/dbraw/zinc/39/90/51/341399051.db2.gz CHZAQRGZMZZGIR-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000568896111 341684720 /nfs/dbraw/zinc/68/47/20/341684720.db2.gz YWLLYQJUYYTNRJ-CQSZACIVSA-N 0 3 315.335 3.119 20 30 DGEDHN C[C@@H](Cc1ccc(Br)cc1)NC[C@@H](C#N)CCC#N ZINC000574858808 341771122 /nfs/dbraw/zinc/77/11/22/341771122.db2.gz BJLPAFQEOKIXOR-GXTWGEPZSA-N 0 3 320.234 3.413 20 30 DGEDHN C[C@H]1CC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000429580834 533749094 /nfs/dbraw/zinc/74/90/94/533749094.db2.gz RFKWWDOKUMXFQN-KBPBESRZSA-N 0 3 317.458 3.361 20 30 DGEDHN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000355861584 533862967 /nfs/dbraw/zinc/86/29/67/533862967.db2.gz JSGDSQNTNWNGKQ-QWHCGFSZSA-N 0 3 320.820 3.289 20 30 DGEDHN C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435126617 534043572 /nfs/dbraw/zinc/04/35/72/534043572.db2.gz ORXRLJVXYBFAHF-HZPDHXFCSA-N 0 3 323.444 3.337 20 30 DGEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(-n2cc(Cl)cn2)n1 ZINC000442860055 534089911 /nfs/dbraw/zinc/08/99/11/534089911.db2.gz RMZOOEGOLVJCNW-WFASDCNBSA-N 0 3 315.808 3.011 20 30 DGEDHN CSc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330893945 534179046 /nfs/dbraw/zinc/17/90/46/534179046.db2.gz FCINFSJZFCAUMA-CMPLNLGQSA-N 0 3 323.418 3.104 20 30 DGEDHN CSc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330893946 534179194 /nfs/dbraw/zinc/17/91/94/534179194.db2.gz FCINFSJZFCAUMA-ZYHUDNBSSA-N 0 3 323.418 3.104 20 30 DGEDHN CC(C#N)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000357819614 534284392 /nfs/dbraw/zinc/28/43/92/534284392.db2.gz DZWSAOIGILTHRX-CZUORRHYSA-N 0 3 312.344 3.222 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000341553146 534284803 /nfs/dbraw/zinc/28/48/03/534284803.db2.gz FTLXGALZVOKJBB-RNCFNFMXSA-N 0 3 312.291 3.312 20 30 DGEDHN C=CCc1cc(CN[C@H](C)[C@@H](OC)C2CC2)cc(OC)c1O ZINC000449625011 534419312 /nfs/dbraw/zinc/41/93/12/534419312.db2.gz AMEAATBDVUFJEG-KZULUSFZSA-N 0 3 305.418 3.032 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000458766160 534512649 /nfs/dbraw/zinc/51/26/49/534512649.db2.gz LEGZUHODPHMWBU-KBPBESRZSA-N 0 3 307.438 3.220 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OC(F)F)c1 ZINC000449546665 534574010 /nfs/dbraw/zinc/57/40/10/534574010.db2.gz CYMJDMAFBCDKDY-OLZOCXBDSA-N 0 3 313.344 3.120 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449549042 534575901 /nfs/dbraw/zinc/57/59/01/534575901.db2.gz TYTPPENFDHUOQH-SJORKVTESA-N 0 3 317.820 3.349 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000453367754 534610940 /nfs/dbraw/zinc/61/09/40/534610940.db2.gz RUCHDXXUILPCRB-IMJJTQAJSA-N 0 3 305.418 3.478 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000472763422 534685126 /nfs/dbraw/zinc/68/51/26/534685126.db2.gz ANKMHNDORQVTFE-SJLPKXTDSA-N 0 3 315.461 3.162 20 30 DGEDHN N#CCSCCCN(CCCO)Cc1cccc(Cl)c1 ZINC000134289562 534704730 /nfs/dbraw/zinc/70/47/30/534704730.db2.gz LTEVQXQJAXDFJG-UHFFFAOYSA-N 0 3 312.866 3.171 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1cccnc1)C1CC1 ZINC000433236508 534741003 /nfs/dbraw/zinc/74/10/03/534741003.db2.gz YAHNTUZKHKSPQU-SFHVURJKSA-N 0 3 319.408 3.345 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000343535230 534748359 /nfs/dbraw/zinc/74/83/59/534748359.db2.gz OSYQFFGIKNOZLJ-WCQYABFASA-N 0 3 313.323 3.195 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000442778726 534755934 /nfs/dbraw/zinc/75/59/34/534755934.db2.gz HTDIYIJLPJDCHM-MAUKXSAKSA-N 0 3 320.396 3.116 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)CCC#N ZINC000428265965 534863219 /nfs/dbraw/zinc/86/32/19/534863219.db2.gz BICOEXSFPOJHHO-VHSXEESVSA-N 0 3 302.344 3.405 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)CCC#N ZINC000428265967 534864120 /nfs/dbraw/zinc/86/41/20/534864120.db2.gz BICOEXSFPOJHHO-ZJUUUORDSA-N 0 3 302.344 3.405 20 30 DGEDHN C=CCOCCCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451908427 534875272 /nfs/dbraw/zinc/87/52/72/534875272.db2.gz KHXAICOLQUKMQO-HNNXBMFYSA-N 0 3 318.244 3.383 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)C1CCN(C)CC1 ZINC000486946006 534885089 /nfs/dbraw/zinc/88/50/89/534885089.db2.gz ZMGCKLFIAYTASC-UHFFFAOYSA-N 0 3 304.459 3.131 20 30 DGEDHN C=CCN(CCC(=O)N1CCC[C@@H]1C)CCc1ccccc1 ZINC000441272306 526271851 /nfs/dbraw/zinc/27/18/51/526271851.db2.gz ULTODLXVQPPZGZ-KRWDZBQOSA-N 0 3 300.446 3.118 20 30 DGEDHN CC#CCCN1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000441335643 526308429 /nfs/dbraw/zinc/30/84/29/526308429.db2.gz ZYPBVKDWFZIUAU-KRWDZBQOSA-N 0 3 300.446 3.005 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000352757947 526314972 /nfs/dbraw/zinc/31/49/72/526314972.db2.gz WGVAEIFTABDFDE-UHFFFAOYSA-N 0 3 306.413 3.497 20 30 DGEDHN C=CCN(Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000350263699 526333144 /nfs/dbraw/zinc/33/31/44/526333144.db2.gz JOAXNDCQVNXXHC-UHFFFAOYSA-N 0 3 324.218 3.371 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C2CC2)C1 ZINC000343954920 526374707 /nfs/dbraw/zinc/37/47/07/526374707.db2.gz NIGSGWOBQCDGBU-HOCLYGCPSA-N 0 3 318.486 3.383 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2ccccc2Cl)CC1 ZINC000290310038 526420368 /nfs/dbraw/zinc/42/03/68/526420368.db2.gz UMANMPSFZJYYFA-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000175742570 526436812 /nfs/dbraw/zinc/43/68/12/526436812.db2.gz PWKLPXSZRCFLOO-GOEBONIOSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)CSc2ccccc2)CC1 ZINC000347417003 526445244 /nfs/dbraw/zinc/44/52/44/526445244.db2.gz IBTISRFZOBFIOV-OAHLLOKOSA-N 0 3 318.486 3.181 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000183076174 526488087 /nfs/dbraw/zinc/48/80/87/526488087.db2.gz YSMXTILUBPZMMZ-ZBFHGGJFSA-N 0 3 321.490 3.349 20 30 DGEDHN C=CCN1CC[C@H](N(Cc2cccc(C)c2)CC(C)C)C1=O ZINC000337144107 526504871 /nfs/dbraw/zinc/50/48/71/526504871.db2.gz WGRKLEQMAQYVOP-SFHVURJKSA-N 0 3 300.446 3.240 20 30 DGEDHN C=CCNC(=O)CN1CCCC[C@H]1CCCc1ccccc1 ZINC000443644072 526529410 /nfs/dbraw/zinc/52/94/10/526529410.db2.gz XFALBTFCJFNEHW-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCNC(=O)CN1CCCC[C@@H]1CCCc1ccccc1 ZINC000443644071 526529820 /nfs/dbraw/zinc/52/98/20/526529820.db2.gz XFALBTFCJFNEHW-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CCCC3)C2)CC1 ZINC000176499967 526585041 /nfs/dbraw/zinc/58/50/41/526585041.db2.gz VBWKYMNGPONNHN-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000434198313 526593900 /nfs/dbraw/zinc/59/39/00/526593900.db2.gz OAYUYZBJIAMHDZ-ZWKOTPCHSA-N 0 3 319.493 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC000181622083 526597197 /nfs/dbraw/zinc/59/71/97/526597197.db2.gz IDGPDZVDSTXODB-QGZVFWFLSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)ccc(C)c2F)CC1 ZINC000346505208 526599112 /nfs/dbraw/zinc/59/91/12/526599112.db2.gz JJUXVGYWMKPMSW-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccn(C(C)C)c2C)CC1 ZINC000339999741 526601866 /nfs/dbraw/zinc/60/18/66/526601866.db2.gz QEYDOARZTONEDX-UHFFFAOYSA-N 0 3 303.450 3.148 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCCCC3)O2)s1 ZINC000181093790 526623305 /nfs/dbraw/zinc/62/33/05/526623305.db2.gz XUQMJBLGKNYVJC-CYBMUJFWSA-N 0 3 306.431 3.175 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000351148541 526624370 /nfs/dbraw/zinc/62/43/70/526624370.db2.gz SVIHXGOPJGRKDB-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)COc1cc(CNCC[C@@H](O)C(C)C)ccc1OC ZINC000344441069 526661837 /nfs/dbraw/zinc/66/18/37/526661837.db2.gz HUGVUNALIHTVKT-MRXNPFEDSA-N 0 3 307.434 3.147 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](C)[C@H]2CCCO2)ccc1OC ZINC000057962480 526661921 /nfs/dbraw/zinc/66/19/21/526661921.db2.gz ROJNYAHHAXVLGG-GOEBONIOSA-N 0 3 305.418 3.307 20 30 DGEDHN C=C(C)COc1cc(CN[C@]2(C)CCO[C@@H]2C)ccc1OC ZINC000344394385 526662332 /nfs/dbraw/zinc/66/23/32/526662332.db2.gz LAWGVGGQTSVAPU-RDTXWAMCSA-N 0 3 305.418 3.307 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000185793243 526667094 /nfs/dbraw/zinc/66/70/94/526667094.db2.gz QTRWWSZCEFBUGW-SJLPKXTDSA-N 0 3 312.457 3.205 20 30 DGEDHN C#CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000185594473 526669105 /nfs/dbraw/zinc/66/91/05/526669105.db2.gz LRHHOYGTWIKPAT-UHFFFAOYSA-N 0 3 322.836 3.268 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000359119354 526725816 /nfs/dbraw/zinc/72/58/16/526725816.db2.gz XPJZFMWGASICNM-GJZGRUSLSA-N 0 3 317.481 3.041 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000359248451 526738962 /nfs/dbraw/zinc/73/89/62/526738962.db2.gz CIBQUOUUCDQZJA-OWCLPIDISA-N 0 3 319.497 3.287 20 30 DGEDHN C=CCOCCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347369192 526749777 /nfs/dbraw/zinc/74/97/77/526749777.db2.gz LENMGBNKSUEQCV-JKSUJKDBSA-N 0 3 307.459 3.080 20 30 DGEDHN C=CCOCCNC(C)(C)COc1ncccc1C(F)(F)F ZINC000339079201 526782176 /nfs/dbraw/zinc/78/21/76/526782176.db2.gz CBFWGNZMSTVARM-UHFFFAOYSA-N 0 3 318.339 3.050 20 30 DGEDHN C=C(CNC(=O)NC[C@@H](C)N1CCC(C)CC1)c1ccccc1 ZINC000352340429 526872240 /nfs/dbraw/zinc/87/22/40/526872240.db2.gz OBKRUQOXOUJNQY-QGZVFWFLSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(CN[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000346782128 526882733 /nfs/dbraw/zinc/88/27/33/526882733.db2.gz SYHFRBYFVONHPL-OAHLLOKOSA-N 0 3 315.438 3.454 20 30 DGEDHN C=C(CN[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000346776921 526883733 /nfs/dbraw/zinc/88/37/33/526883733.db2.gz ITEUMHOIEUDZBX-HNNXBMFYSA-N 0 3 305.385 3.026 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1 ZINC000352917756 526886791 /nfs/dbraw/zinc/88/67/91/526886791.db2.gz YKBIQLUGSQRDRW-QFIPXVFZSA-N 0 3 315.438 3.279 20 30 DGEDHN C=CCOc1ccc(CNCc2cnc3cccc(C)n23)cc1 ZINC000352917794 526887820 /nfs/dbraw/zinc/88/78/20/526887820.db2.gz YZRHDWZGILPHFG-UHFFFAOYSA-N 0 3 307.397 3.497 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)C[S@@](C)=O)cc1 ZINC000184288873 526890890 /nfs/dbraw/zinc/89/08/90/526890890.db2.gz QVSHAEVMYRMMSL-MTJIALIYSA-N 0 3 315.866 3.236 20 30 DGEDHN C=CCOc1ccc(CN[C@H](CO)CC2CCCC2)cc1OC ZINC000337801952 526891003 /nfs/dbraw/zinc/89/10/03/526891003.db2.gz IUNBTIDGRABLCR-KRWDZBQOSA-N 0 3 319.445 3.291 20 30 DGEDHN C=CC1CCN(CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000348165988 526979334 /nfs/dbraw/zinc/97/93/34/526979334.db2.gz KSYNGVUNMKSTDL-UHFFFAOYSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN(C)[C@H]1c1cccnc1 ZINC000348073019 526985052 /nfs/dbraw/zinc/98/50/52/526985052.db2.gz KNGYDZCDFUYLDU-SJORKVTESA-N 0 3 315.461 3.135 20 30 DGEDHN C=CCSCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000180457070 527004336 /nfs/dbraw/zinc/00/43/36/527004336.db2.gz JVCXJPGRSSPMKE-AWEZNQCLSA-N 0 3 304.459 3.383 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000343947945 527022633 /nfs/dbraw/zinc/02/26/33/527022633.db2.gz NXTWLYJEWIVUHM-UHFFFAOYSA-N 0 3 318.436 3.484 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418148281 527045522 /nfs/dbraw/zinc/04/55/22/527045522.db2.gz NTJDUWKDLWWBQF-MSOLQXFVSA-N 0 3 311.429 3.494 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1OCC1CC1 ZINC000430036361 527078171 /nfs/dbraw/zinc/07/81/71/527078171.db2.gz RHMXLDREOMZKHY-CQSZACIVSA-N 0 3 309.837 3.403 20 30 DGEDHN C=CCCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000355269759 527089352 /nfs/dbraw/zinc/08/93/52/527089352.db2.gz DEWMCURWUHDKKW-KRWDZBQOSA-N 0 3 300.446 3.460 20 30 DGEDHN C=CCCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178252256 527101706 /nfs/dbraw/zinc/10/17/06/527101706.db2.gz PACKUPDYJRTUGG-CALCHBBNSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000373286248 527132979 /nfs/dbraw/zinc/13/29/79/527132979.db2.gz QVUKRSPAYXOPNZ-OAHLLOKOSA-N 0 3 304.438 3.294 20 30 DGEDHN C#CCSCCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000181095768 527151608 /nfs/dbraw/zinc/15/16/08/527151608.db2.gz MNANQDPHLQFNLL-GFCCVEGCSA-N 0 3 308.403 3.011 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000355840010 527158555 /nfs/dbraw/zinc/15/85/55/527158555.db2.gz DTHNTDWYRXPRMQ-JKSUJKDBSA-N 0 3 307.413 3.082 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000302160026 527230938 /nfs/dbraw/zinc/23/09/38/527230938.db2.gz XVFADYRZJHFNIA-LPHOPBHVSA-N 0 3 323.440 3.214 20 30 DGEDHN C=CCc1cc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc(OC)c1O ZINC000339458675 527244021 /nfs/dbraw/zinc/24/40/21/527244021.db2.gz WTUMXVHKQKPHAH-LBPRGKRZSA-N 0 3 314.385 3.081 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000343811365 527260705 /nfs/dbraw/zinc/26/07/05/527260705.db2.gz HRYZVVKYXWRAFS-OAHLLOKOSA-N 0 3 307.438 3.098 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000359537572 527386326 /nfs/dbraw/zinc/38/63/26/527386326.db2.gz GQRFMEKWZALGGI-CABCVRRESA-N 0 3 315.417 3.126 20 30 DGEDHN C=CCC[C@@H](C)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000185146575 527425090 /nfs/dbraw/zinc/42/50/90/527425090.db2.gz YJLNSDUUFYLBJQ-CQSZACIVSA-N 0 3 324.490 3.208 20 30 DGEDHN C=CCC[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435114037 527442637 /nfs/dbraw/zinc/44/26/37/527442637.db2.gz PVZZYOMYINASJQ-FUHWJXTLSA-N 0 3 313.445 3.230 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000130239360 527455458 /nfs/dbraw/zinc/45/54/58/527455458.db2.gz PIUDZZHSZYGKTO-DOTOQJQBSA-N 0 3 305.393 3.048 20 30 DGEDHN CC(C)(C#N)CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174821292 527464559 /nfs/dbraw/zinc/46/45/59/527464559.db2.gz KCCNMDBDWKVICS-UHFFFAOYSA-N 0 3 316.405 3.047 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000435761123 527476298 /nfs/dbraw/zinc/47/62/98/527476298.db2.gz MAKDGZJSSLQADG-AEFFLSMTSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000435762678 527478756 /nfs/dbraw/zinc/47/87/56/527478756.db2.gz OWZWLFQQGZJTQJ-MSOLQXFVSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435114036 527479537 /nfs/dbraw/zinc/47/95/37/527479537.db2.gz PVZZYOMYINASJQ-AEFFLSMTSA-N 0 3 313.445 3.230 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435114039 527479943 /nfs/dbraw/zinc/47/99/43/527479943.db2.gz PVZZYOMYINASJQ-WMZOPIPTSA-N 0 3 313.445 3.230 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccoc2)n1 ZINC000429719371 527573227 /nfs/dbraw/zinc/57/32/27/527573227.db2.gz KPOKFBPJYSYSSK-UHFFFAOYSA-N 0 3 305.447 3.343 20 30 DGEDHN C=C[C@H](CO)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC000353575235 527595010 /nfs/dbraw/zinc/59/50/10/527595010.db2.gz KGYWVLRYKMOSRN-CHWSQXEVSA-N 0 3 302.187 3.176 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000442806708 527607195 /nfs/dbraw/zinc/60/71/95/527607195.db2.gz CGCGHYRXYQNGGL-JENIJYKNSA-N 0 3 315.461 3.135 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccsc1)C(C)C ZINC000337219725 527644762 /nfs/dbraw/zinc/64/47/62/527644762.db2.gz KZPQGEVMQNXCJH-INIZCTEOSA-N 0 3 321.490 3.246 20 30 DGEDHN CC(C)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCS1 ZINC000433381713 527838258 /nfs/dbraw/zinc/83/82/58/527838258.db2.gz AVCFOSRZAFFPHM-DLBZAZTESA-N 0 3 316.470 3.359 20 30 DGEDHN CCCN(CCc1cccs1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000184507531 528115525 /nfs/dbraw/zinc/11/55/25/528115525.db2.gz GTZNHRYMQAUTNM-KRWDZBQOSA-N 0 3 321.490 3.057 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000181649268 528363111 /nfs/dbraw/zinc/36/31/11/528363111.db2.gz IVBWQDFTUDRCBT-HNNXBMFYSA-N 0 3 309.413 3.253 20 30 DGEDHN CCOC(=O)c1oc2c(c1C)[C@@H](NCC1(CC#N)CC1)CCC2 ZINC000430738291 528390257 /nfs/dbraw/zinc/39/02/57/528390257.db2.gz APUIEZBHULHNPM-ZDUSSCGKSA-N 0 3 316.401 3.426 20 30 DGEDHN CCCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000355112385 528597937 /nfs/dbraw/zinc/59/79/37/528597937.db2.gz GEPLPVXTAYDSEF-CQSZACIVSA-N 0 3 304.353 3.400 20 30 DGEDHN CC(C)C[C@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000435925419 528599555 /nfs/dbraw/zinc/59/95/55/528599555.db2.gz FBYOPFVHLSSPCW-MSOLQXFVSA-N 0 3 314.429 3.032 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000353219088 528696144 /nfs/dbraw/zinc/69/61/44/528696144.db2.gz LXCWLKGOSKGCOK-NUJGCVRESA-N 0 3 313.445 3.078 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000181656607 528697430 /nfs/dbraw/zinc/69/74/30/528697430.db2.gz BCKLNLWNHKKZSU-HZPDHXFCSA-N 0 3 323.440 3.499 20 30 DGEDHN CCCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000352405444 528761532 /nfs/dbraw/zinc/76/15/32/528761532.db2.gz ATFRUYOUEBVQDA-MRXNPFEDSA-N 0 3 301.434 3.444 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000330982834 528934067 /nfs/dbraw/zinc/93/40/67/528934067.db2.gz PXNBJSLBQVJELV-UHFFFAOYSA-N 0 3 323.368 3.161 20 30 DGEDHN CCN1CCC(NC(=O)c2ccc(OC)cc2OC(C)C)CC1 ZINC000330988692 528959917 /nfs/dbraw/zinc/95/99/17/528959917.db2.gz AFVNVJAOKYXFDH-UHFFFAOYSA-N 0 3 320.433 3.271 20 30 DGEDHN CCCNC(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330900003 528979167 /nfs/dbraw/zinc/97/91/67/528979167.db2.gz JORGJUFNBUMKHA-CZUORRHYSA-N 0 3 317.433 3.189 20 30 DGEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000330936212 529058280 /nfs/dbraw/zinc/05/82/80/529058280.db2.gz QZZQDGBEFRTOTL-HUUCEWRRSA-N 0 3 319.449 3.053 20 30 DGEDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000299519854 529186632 /nfs/dbraw/zinc/18/66/32/529186632.db2.gz CWHZUOIGCPUEFY-GOSISDBHSA-N 0 3 322.412 3.365 20 30 DGEDHN CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1C ZINC000331141141 529291017 /nfs/dbraw/zinc/29/10/17/529291017.db2.gz REJKOKMZVYQBMT-STQMWFEESA-N 0 3 319.453 3.139 20 30 DGEDHN CCC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000451417689 535704607 /nfs/dbraw/zinc/70/46/07/535704607.db2.gz CEYBASDCPIOVQS-INIZCTEOSA-N 0 3 322.474 3.136 20 30 DGEDHN CN(C)[C@@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000455935114 536130181 /nfs/dbraw/zinc/13/01/81/536130181.db2.gz AUMYKIFJPQDLKQ-SFHVURJKSA-N 0 3 322.412 3.177 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451501999 536646634 /nfs/dbraw/zinc/64/66/34/536646634.db2.gz PEIDGOGNSJXNQO-IAGOWNOFSA-N 0 3 302.418 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC000076994623 545740281 /nfs/dbraw/zinc/74/02/81/545740281.db2.gz JFQVAKVXSNQHFN-RBUKOAKNSA-N 0 3 312.457 3.255 20 30 DGEDHN C=C[C@H](CC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000124405217 545912123 /nfs/dbraw/zinc/91/21/23/545912123.db2.gz LDTOFJMHDXXZAX-QGZVFWFLSA-N 0 3 321.424 3.090 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000668369720 547446357 /nfs/dbraw/zinc/44/63/57/547446357.db2.gz CLTMDKUAVIVKGJ-GOSISDBHSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(C(F)(F)F)CCCCC2)CC1 ZINC000668369320 547446678 /nfs/dbraw/zinc/44/66/78/547446678.db2.gz UTCMPXCLTFQHRI-UHFFFAOYSA-N 0 3 318.383 3.266 20 30 DGEDHN C(#CCN1CC[C@@H](c2ccco2)C1)CN1CC[C@@H](c2ccco2)C1 ZINC000671241562 547780553 /nfs/dbraw/zinc/78/05/53/547780553.db2.gz ZVQFJBHFKBARJE-QZTJIDSGSA-N 0 3 324.424 3.155 20 30 DGEDHN C=C(CNC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000672668260 547901829 /nfs/dbraw/zinc/90/18/29/547901829.db2.gz NDSNXUVEEKIYMR-LJQANCHMSA-N 0 3 323.440 3.302 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1cc(C(C)=O)ccn1)C(C)C ZINC000674748906 548107162 /nfs/dbraw/zinc/10/71/62/548107162.db2.gz ZBEMLKSPDOJDEC-KRWDZBQOSA-N 0 3 301.434 3.395 20 30 DGEDHN C=C[C@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674981210 548144152 /nfs/dbraw/zinc/14/41/52/548144152.db2.gz VFNRXUDLPJRIGF-DOTOQJQBSA-N 0 3 301.434 3.087 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000678049999 548600961 /nfs/dbraw/zinc/60/09/61/548600961.db2.gz SGRUHYOAUZODPG-UKRRQHHQSA-N 0 3 306.475 3.138 20 30 DGEDHN C=CCc1cc(CN(C)CCOC(C)(C)C)cc(OC)c1O ZINC000678284726 548671025 /nfs/dbraw/zinc/67/10/25/548671025.db2.gz XAZKNXYTUOLBDL-UHFFFAOYSA-N 0 3 307.434 3.376 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000678733571 548754728 /nfs/dbraw/zinc/75/47/28/548754728.db2.gz NFTFFHBHFALDKV-ZWNOBZJWSA-N 0 3 314.223 3.045 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741964 548755937 /nfs/dbraw/zinc/75/59/37/548755937.db2.gz HUJPJTIIXZPLTK-DNVCBOLYSA-N 0 3 312.413 3.248 20 30 DGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741963 548756115 /nfs/dbraw/zinc/75/61/15/548756115.db2.gz HUJPJTIIXZPLTK-BEFAXECRSA-N 0 3 312.413 3.248 20 30 DGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000678754009 548757520 /nfs/dbraw/zinc/75/75/20/548757520.db2.gz BLXSVTPVLYGZRW-ZBFHGGJFSA-N 0 3 307.434 3.462 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000679174671 548841993 /nfs/dbraw/zinc/84/19/93/548841993.db2.gz CYCKKSIZWMVNQP-WBVHZDCISA-N 0 3 308.429 3.453 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000679376545 548889406 /nfs/dbraw/zinc/88/94/06/548889406.db2.gz HFQVZAIUFKUQPW-GOSISDBHSA-N 0 3 315.461 3.431 20 30 DGEDHN C=CCOCCNc1ccnc2cc(OCC)c(OCC)cc21 ZINC000679471689 548900309 /nfs/dbraw/zinc/90/03/09/548900309.db2.gz QSGAVPYMAIQUQC-UHFFFAOYSA-N 0 3 316.401 3.069 20 30 DGEDHN CC[C@@H](NCC#CCOC)c1cc(F)cc(Br)c1 ZINC000681596444 549227334 /nfs/dbraw/zinc/22/73/34/549227334.db2.gz KYBFZYWMJNDFII-CQSZACIVSA-N 0 3 314.198 3.279 20 30 DGEDHN C=C(C)CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000681791607 549256415 /nfs/dbraw/zinc/25/64/15/549256415.db2.gz OCSYLQMYAXDVDA-QGZVFWFLSA-N 0 3 301.434 3.089 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000682383429 549313398 /nfs/dbraw/zinc/31/33/98/549313398.db2.gz ZRCOXCMDBQLZHK-HKUYNNGSSA-N 0 3 300.446 3.322 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000683012420 549414782 /nfs/dbraw/zinc/41/47/82/549414782.db2.gz UNKPRBLGESQOPO-OAQYLSRUSA-N 0 3 304.437 3.244 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1=O ZINC000685002247 549732448 /nfs/dbraw/zinc/73/24/48/549732448.db2.gz CUPZWKOFEVMDDO-QFBILLFUSA-N 0 3 323.440 3.134 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000685591642 549779059 /nfs/dbraw/zinc/77/90/59/549779059.db2.gz OPQUZHSOWKVIQR-OAHLLOKOSA-N 0 3 304.365 3.083 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000594038676 574521519 /nfs/dbraw/zinc/52/15/19/574521519.db2.gz CMYHLQRMAVPFLY-INIZCTEOSA-N 0 3 306.381 3.153 20 30 DGEDHN CN(CCN(C)c1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731212549 574545581 /nfs/dbraw/zinc/54/55/81/574545581.db2.gz DPSZYXSQDHESRU-UHFFFAOYSA-N 0 3 309.413 3.157 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@H](C)N(C)Cc1ccccc1 ZINC000731936833 574563166 /nfs/dbraw/zinc/56/31/66/574563166.db2.gz AQEONJSQWSCMCR-HYTQYMIGSA-N 0 3 312.413 3.340 20 30 DGEDHN C=CCN(C(=O)NC[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000732470228 574574783 /nfs/dbraw/zinc/57/47/83/574574783.db2.gz WAKQUECJJHFMTC-INIZCTEOSA-N 0 3 303.450 3.113 20 30 DGEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)c2nc3ccccc3[nH]2)C1 ZINC000733053118 574593263 /nfs/dbraw/zinc/59/32/63/574593263.db2.gz JQGFMSHTGCKWNT-MCIONIFRSA-N 0 3 311.385 3.334 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000733204829 574607528 /nfs/dbraw/zinc/60/75/28/574607528.db2.gz AUVLSLJVTFHKSW-FRSZACSASA-N 0 3 318.339 3.235 20 30 DGEDHN C=C(C)CN1CCC(NCc2occc2Br)CC1 ZINC000735322891 574698050 /nfs/dbraw/zinc/69/80/50/574698050.db2.gz OOJSWOSLWPATDH-UHFFFAOYSA-N 0 3 313.239 3.172 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000736671155 574802461 /nfs/dbraw/zinc/80/24/61/574802461.db2.gz BGFHNKOWYQRWGY-FZMZJTMJSA-N 0 3 321.218 3.142 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CC[C@H](COC)C1 ZINC000739868795 574914007 /nfs/dbraw/zinc/91/40/07/574914007.db2.gz FLOKOPGKUYKEBH-AWEZNQCLSA-N 0 3 317.458 3.240 20 30 DGEDHN C=CC[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccncc1 ZINC000741286665 574955037 /nfs/dbraw/zinc/95/50/37/574955037.db2.gz BXUHTYOFXZDKTR-SFHVURJKSA-N 0 3 309.413 3.190 20 30 DGEDHN CCc1cccc(C)c1NC(=S)NN=C1CCN(C)[C@@H](C)C1 ZINC000741458656 574958318 /nfs/dbraw/zinc/95/83/18/574958318.db2.gz PIORTVJCHJUQQC-ZDUSSCGKSA-N 0 3 318.490 3.314 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2c(C)cccc2C)[C@H](C)C1 ZINC000741453844 574958423 /nfs/dbraw/zinc/95/84/23/574958423.db2.gz WZLGQLQHJJTXAD-CQSZACIVSA-N 0 3 318.490 3.308 20 30 DGEDHN COc1ccc(CNC[C@@H](O)c2cccc(Cl)c2)cc1C#N ZINC000742368084 574993053 /nfs/dbraw/zinc/99/30/53/574993053.db2.gz RVAUPCWFWGTDGC-MRXNPFEDSA-N 0 3 316.788 3.043 20 30 DGEDHN C#CCSCCNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000742372156 574993629 /nfs/dbraw/zinc/99/36/29/574993629.db2.gz STHHILFBXPQVGR-UHFFFAOYSA-N 0 3 319.861 3.290 20 30 DGEDHN C=CC[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccncc1 ZINC000743414970 575049696 /nfs/dbraw/zinc/04/96/96/575049696.db2.gz GPNGCANDSPHERY-RDJZCZTQSA-N 0 3 301.434 3.080 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000744022419 575068706 /nfs/dbraw/zinc/06/87/06/575068706.db2.gz OXQXTQYWWIMQMH-KBPBESRZSA-N 0 3 304.390 3.097 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000728917209 575194281 /nfs/dbraw/zinc/19/42/81/575194281.db2.gz UKYWLIPYNKFGTQ-GFCCVEGCSA-N 0 3 301.415 3.203 20 30 DGEDHN C(=NNCCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000729145749 575219882 /nfs/dbraw/zinc/21/98/82/575219882.db2.gz COXSQVIRKAGFMN-UHFFFAOYSA-N 0 3 323.440 3.080 20 30 DGEDHN CCCCCCCCc1nnc(NC(=O)[C@H]2CCN(C)C2)s1 ZINC000729283331 575232095 /nfs/dbraw/zinc/23/20/95/575232095.db2.gz LJOGKQSXJJPMNL-ZDUSSCGKSA-N 0 3 324.494 3.331 20 30 DGEDHN C[C@@H](NCc1cnn2ccccc12)c1ccc(OCC#N)cc1 ZINC000729686031 575260524 /nfs/dbraw/zinc/26/05/24/575260524.db2.gz SIDRYDBUDTVIAT-CQSZACIVSA-N 0 3 306.369 3.087 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(OC)cc2)CC1 ZINC000729942023 575267711 /nfs/dbraw/zinc/26/77/11/575267711.db2.gz FUXHQJOOFFMPPE-UHFFFAOYSA-N 0 3 319.474 3.022 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCCCC(=O)OC(C)(C)C)cc1 ZINC000744450445 575343858 /nfs/dbraw/zinc/34/38/58/575343858.db2.gz VOUZEFJLFNWLLD-AWEZNQCLSA-N 0 3 318.417 3.189 20 30 DGEDHN C#CCN(C[C@@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000744739259 575353691 /nfs/dbraw/zinc/35/36/91/575353691.db2.gz PWWOLQZXKZVWMF-MRXNPFEDSA-N 0 3 321.848 3.348 20 30 DGEDHN C=CCCCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000745431598 575396104 /nfs/dbraw/zinc/39/61/04/575396104.db2.gz VHMINSNNTGSZFT-CQSZACIVSA-N 0 3 307.777 3.202 20 30 DGEDHN COc1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1C#N ZINC000746742190 575472689 /nfs/dbraw/zinc/47/26/89/575472689.db2.gz RJZCJBAMVYNUML-UHFFFAOYSA-N 0 3 322.368 3.148 20 30 DGEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000747107603 575497003 /nfs/dbraw/zinc/49/70/03/575497003.db2.gz IIRCMVOMYZLNRO-INIZCTEOSA-N 0 3 310.353 3.177 20 30 DGEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000747204312 575505485 /nfs/dbraw/zinc/50/54/85/575505485.db2.gz HEOJOUCXZWVZTP-BXKDBHETSA-N 0 3 310.806 3.129 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)C#Cc1ccccc1)c1ccccc1 ZINC000747221076 575506828 /nfs/dbraw/zinc/50/68/28/575506828.db2.gz XFSLUAGKWUOPEY-QGZVFWFLSA-N 0 3 320.436 3.284 20 30 DGEDHN Cc1cc(CON=C(N)c2ccc(CN(C)C)cc2)c(C)s1 ZINC000747838931 575545341 /nfs/dbraw/zinc/54/53/41/575545341.db2.gz SDJIMFMJSZJGOT-UHFFFAOYSA-N 0 3 317.458 3.264 20 30 DGEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(OCC#N)cc1 ZINC000749460616 575658111 /nfs/dbraw/zinc/65/81/11/575658111.db2.gz OLPWIYZTSVDBKB-QRWLVFNGSA-N 0 3 322.408 3.413 20 30 DGEDHN CN(CCC1CC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000749531969 575663712 /nfs/dbraw/zinc/66/37/12/575663712.db2.gz PUPUPFKZERUJRM-CYBMUJFWSA-N 0 3 313.426 3.204 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000750029847 575699125 /nfs/dbraw/zinc/69/91/25/575699125.db2.gz PKGROFWKTKTHAY-IBGZPJMESA-N 0 3 306.413 3.227 20 30 DGEDHN N#Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000750398371 575722662 /nfs/dbraw/zinc/72/26/62/575722662.db2.gz UHEXDXSDFNQODJ-CQSZACIVSA-N 0 3 301.305 3.118 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ncccc2F)c([O-])c1 ZINC000751517589 575788033 /nfs/dbraw/zinc/78/80/33/575788033.db2.gz LOGHQUQQYRTFAO-ODLFYWEKSA-N 0 3 301.365 3.392 20 30 DGEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000752301194 575831660 /nfs/dbraw/zinc/83/16/60/575831660.db2.gz NHUHVXUKIROEJQ-XQQFMLRXSA-N 0 3 313.426 3.060 20 30 DGEDHN CC[C@@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727833306 576148289 /nfs/dbraw/zinc/14/82/89/576148289.db2.gz QTQBTIXZYXRFEZ-HUUCEWRRSA-N 0 3 320.396 3.098 20 30 DGEDHN CC[C@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727833305 576148509 /nfs/dbraw/zinc/14/85/09/576148509.db2.gz QTQBTIXZYXRFEZ-GJZGRUSLSA-N 0 3 320.396 3.098 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000728715096 576196648 /nfs/dbraw/zinc/19/66/48/576196648.db2.gz HLWGFDMACPCFDP-AWEZNQCLSA-N 0 3 308.381 3.202 20 30 DGEDHN CC(=NN1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000916620607 620639502 /nfs/dbraw/zinc/63/95/02/620639502.db2.gz PPJAOFSCTDLNHC-UHFFFAOYSA-N 0 3 314.477 3.038 20 30 DGEDHN N#CC(C(=O)CCOCC(F)(F)F)c1ccc2ccccc2n1 ZINC000916850037 620646417 /nfs/dbraw/zinc/64/64/17/620646417.db2.gz YVHDFLDBFHBINH-GFCCVEGCSA-N 0 3 322.286 3.380 20 30 DGEDHN C#CCOc1ccccc1CNCCO[C@@H]1CCCC[C@@H]1C ZINC000916838721 620646796 /nfs/dbraw/zinc/64/67/96/620646796.db2.gz XAFDDUNWIACQRR-FUHWJXTLSA-N 0 3 301.430 3.384 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852847869 620652282 /nfs/dbraw/zinc/65/22/82/620652282.db2.gz WBRQWEAMQRLEKO-ZFWWWQNUSA-N 0 3 321.852 3.248 20 30 DGEDHN C=CCCC(C)(C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000852919737 620655649 /nfs/dbraw/zinc/65/56/49/620655649.db2.gz ANJBHOBYCQHJRB-CYBMUJFWSA-N 0 3 309.841 3.294 20 30 DGEDHN C[C@@H](C1CC1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917093353 620656472 /nfs/dbraw/zinc/65/64/72/620656472.db2.gz KNHHAWXWCWKLEQ-WCQYABFASA-N 0 3 313.426 3.203 20 30 DGEDHN C#CCN(C[C@@H](O)c1cccc(F)c1)[C@@H]1CCc2ccccc21 ZINC000917119136 620657367 /nfs/dbraw/zinc/65/73/67/620657367.db2.gz UFUZRDZMFUIOBF-WOJBJXKFSA-N 0 3 309.384 3.482 20 30 DGEDHN C#C[C@H](/N=C\c1ccc(N(CC)CC)cc1O)C1CCOCC1 ZINC000852999171 620658935 /nfs/dbraw/zinc/65/89/35/620658935.db2.gz XPYLXPUNUPATGM-HJHGFDQJSA-N 0 3 314.429 3.086 20 30 DGEDHN C#Cc1cccnc1NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000853086228 620667220 /nfs/dbraw/zinc/66/72/20/620667220.db2.gz IFWXLXXGXVREBC-LJQANCHMSA-N 0 3 321.424 3.321 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccccc1OC ZINC000853092831 620667669 /nfs/dbraw/zinc/66/76/69/620667669.db2.gz OSQXSSFOOARKMO-QGZVFWFLSA-N 0 3 313.397 3.083 20 30 DGEDHN CC1(C)CCC[C@@H]1NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853340802 620687917 /nfs/dbraw/zinc/68/79/17/620687917.db2.gz JCPLZMRZBIWAOX-SFHVURJKSA-N 0 3 315.461 3.150 20 30 DGEDHN C#CCC[N@@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000853619468 620716621 /nfs/dbraw/zinc/71/66/21/620716621.db2.gz CDJUPOUOWUNMBJ-UHFFFAOYSA-N 0 3 313.397 3.026 20 30 DGEDHN C#CCC[N@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000853619468 620716623 /nfs/dbraw/zinc/71/66/23/620716623.db2.gz CDJUPOUOWUNMBJ-UHFFFAOYSA-N 0 3 313.397 3.026 20 30 DGEDHN Cc1csc(C(C#N)C(=O)CSc2cc(C)ccn2)n1 ZINC000918755828 620724026 /nfs/dbraw/zinc/72/40/26/620724026.db2.gz BEQKDIROERNMRJ-NSHDSACASA-N 0 3 303.412 3.124 20 30 DGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000892503559 618085442 /nfs/dbraw/zinc/08/54/42/618085442.db2.gz LLMBOYGTGDOZOA-MRXNPFEDSA-N 0 3 312.369 3.089 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2cscn2)c([O-])c1 ZINC000134847173 617644185 /nfs/dbraw/zinc/64/41/85/617644185.db2.gz KZLUWWHSDZFNDT-LICLKQGHSA-N 0 3 303.431 3.357 20 30 DGEDHN CCc1onc(C)c1CNCCSCc1ccccc1C#N ZINC000892457785 618071095 /nfs/dbraw/zinc/07/10/95/618071095.db2.gz PIOUHNASTKKBQH-UHFFFAOYSA-N 0 3 315.442 3.440 20 30 DGEDHN C[C@]1(c2ccccc2)C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000892494951 618081951 /nfs/dbraw/zinc/08/19/51/618081951.db2.gz KRTVWAANFAWEDB-FUHIMQAGSA-N 0 3 318.376 3.312 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000920040294 620778774 /nfs/dbraw/zinc/77/87/74/620778774.db2.gz OLGQFJWUHZLFGN-ZWKOTPCHSA-N 0 3 318.505 3.300 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CC(C)(C)CO3)nc21 ZINC000892706242 618144050 /nfs/dbraw/zinc/14/40/50/618144050.db2.gz UDKKLPRJRVUMPU-CHWSQXEVSA-N 0 3 311.385 3.253 20 30 DGEDHN COC(=O)c1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000894452338 618338401 /nfs/dbraw/zinc/33/84/01/618338401.db2.gz VSZILXDMHMKYNV-UHFFFAOYSA-N 0 3 308.381 3.252 20 30 DGEDHN C#C[C@H](NCCC[C@@H]1CCO1)c1ccc(Br)cc1 ZINC000894871000 618483484 /nfs/dbraw/zinc/48/34/84/618483484.db2.gz RHSSXKDSYIUIIT-CABCVRRESA-N 0 3 308.219 3.282 20 30 DGEDHN CN(Cc1cccc2c1NCCC2)C[C@@H](O)c1cccc(C#N)c1 ZINC000895133401 618547262 /nfs/dbraw/zinc/54/72/62/618547262.db2.gz ITIQADPJSNUFKZ-LJQANCHMSA-N 0 3 321.424 3.082 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000895494368 618791513 /nfs/dbraw/zinc/79/15/13/618791513.db2.gz FRGHEUGIQTYMJY-INWMFGNUSA-N 0 3 317.820 3.117 20 30 DGEDHN COC(=O)Cc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000895562340 618799547 /nfs/dbraw/zinc/79/95/47/618799547.db2.gz DFZDEKVMBBJQGH-UHFFFAOYSA-N 0 3 322.408 3.180 20 30 DGEDHN N#Cc1ccc2nc(N[C@H]3CCCN4CCSC[C@@H]34)ccc2c1 ZINC000895568395 618801677 /nfs/dbraw/zinc/80/16/77/618801677.db2.gz WMLSKFHPFCUYMF-IRXDYDNUSA-N 0 3 324.453 3.098 20 30 DGEDHN C=CCC1(O)CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000895835462 618839717 /nfs/dbraw/zinc/83/97/17/618839717.db2.gz GUSXHVABFPDXHB-UHFFFAOYSA-N 0 3 303.431 3.041 20 30 DGEDHN COC1(OC)CC2(CN(Cc3cccc(C#N)c3)[C@@H]2C(C)C)C1 ZINC000895996066 618860189 /nfs/dbraw/zinc/86/01/89/618860189.db2.gz NVBFHMFHBLZVTM-QGZVFWFLSA-N 0 3 314.429 3.168 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000840708666 618983235 /nfs/dbraw/zinc/98/32/35/618983235.db2.gz ICRHQEYFOWDAPV-FFOODNTGSA-N 0 3 302.418 3.391 20 30 DGEDHN COc1ccc(C[C@H](C)CNCc2nc(C#N)cs2)cc1F ZINC000897629876 619168964 /nfs/dbraw/zinc/16/89/64/619168964.db2.gz ZUEQFXDDDULQOZ-NSHDSACASA-N 0 3 319.405 3.131 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000897766079 619177830 /nfs/dbraw/zinc/17/78/30/619177830.db2.gz NXIFCYRHLWTBBF-KRWDZBQOSA-N 0 3 304.409 3.291 20 30 DGEDHN C#CCN(C(=S)NC[C@@H](CC)CCCC)C1CCN(C)CC1 ZINC000899613748 619360948 /nfs/dbraw/zinc/36/09/48/619360948.db2.gz MVUXMROOHFAPEN-INIZCTEOSA-N 0 3 323.550 3.107 20 30 DGEDHN C#CCN(C(=S)NC[C@H](CC)CCCC)C1CCN(C)CC1 ZINC000899613749 619361102 /nfs/dbraw/zinc/36/11/02/619361102.db2.gz MVUXMROOHFAPEN-MRXNPFEDSA-N 0 3 323.550 3.107 20 30 DGEDHN N#CC1(c2ccccc2)CCC(NCc2csc(N)n2)CC1 ZINC000902490437 619642609 /nfs/dbraw/zinc/64/26/09/619642609.db2.gz NTZUFOGJGXHTMO-UHFFFAOYSA-N 0 3 312.442 3.219 20 30 DGEDHN C[C@H](NCCCN1CCc2ccccc21)c1cc(C#N)ccn1 ZINC000902731582 619667248 /nfs/dbraw/zinc/66/72/48/619667248.db2.gz LVNHSQITMMLKLC-HNNXBMFYSA-N 0 3 306.413 3.057 20 30 DGEDHN COc1ccc(O[C@@H](C)CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902820297 619679118 /nfs/dbraw/zinc/67/91/18/619679118.db2.gz ASUCYTKYELADPJ-KBPBESRZSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902848485 619683737 /nfs/dbraw/zinc/68/37/37/619683737.db2.gz RFLKTFGYYDWPIC-VBHSOAQHSA-N 0 3 313.376 3.255 20 30 DGEDHN C[C@@H](O)[C@@](C)(CN[C@@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000902969700 619696137 /nfs/dbraw/zinc/69/61/37/619696137.db2.gz GBMAPLFBWLELAV-RZQQEMMASA-N 0 3 323.440 3.234 20 30 DGEDHN C[C@H](NCCc1ccc(F)c(F)c1F)c1cc(C#N)ccn1 ZINC000902952211 619696937 /nfs/dbraw/zinc/69/69/37/619696937.db2.gz VKKPQWFXSBZXTF-JTQLQIEISA-N 0 3 305.303 3.264 20 30 DGEDHN C[C@H](NCCSCCC(F)(F)F)c1cc(C#N)ccn1 ZINC000903080704 619712583 /nfs/dbraw/zinc/71/25/83/619712583.db2.gz LFBSPWWSOQIXPI-JTQLQIEISA-N 0 3 303.353 3.289 20 30 DGEDHN CC[C@H](NCc1ccc2oc(=O)n(C)c2c1)c1cccc(C#N)c1 ZINC000903069573 619714883 /nfs/dbraw/zinc/71/48/83/619714883.db2.gz HNERGPVWEXEVQS-INIZCTEOSA-N 0 3 321.380 3.244 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(Br)cn1 ZINC000903325872 619761727 /nfs/dbraw/zinc/76/17/27/619761727.db2.gz WXTMMYIMZACRDI-YPMHNXCESA-N 0 3 310.239 3.464 20 30 DGEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)c(OC(F)F)cc1C ZINC000905079891 619968078 /nfs/dbraw/zinc/96/80/78/619968078.db2.gz GNUAJXFZFGOUPX-HAAVITCDSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)c2ncnn21 ZINC000905081629 619968370 /nfs/dbraw/zinc/96/83/70/619968370.db2.gz SDZPTFMRVUSJSR-XDUBLRSXSA-N 0 3 308.385 3.109 20 30 DGEDHN COCc1c(C)cc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905084668 619968620 /nfs/dbraw/zinc/96/86/20/619968620.db2.gz KBPRSFYSPCXAHZ-QVYJARAXSA-N 0 3 311.385 3.191 20 30 DGEDHN CC1/C(=C\c2ccccc2CC(F)(F)F)C(=O)c2ncnn21 ZINC000905085836 619968699 /nfs/dbraw/zinc/96/86/99/619968699.db2.gz PMEFFORRHNDMKZ-DAVUEJTQSA-N 0 3 307.275 3.224 20 30 DGEDHN C[C@H](NC(=O)c1ccsc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000907445184 620157867 /nfs/dbraw/zinc/15/78/67/620157867.db2.gz AWBRCBWCCHASDP-LRDDRELGSA-N 0 3 313.426 3.041 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1N ZINC000911661780 620339560 /nfs/dbraw/zinc/33/95/60/620339560.db2.gz BIQDYRAFOHIUPJ-OAHLLOKOSA-N 0 3 307.438 3.294 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(N)c(OC)c1 ZINC000911671184 620340185 /nfs/dbraw/zinc/34/01/85/620340185.db2.gz YDVQLQNJMUJYRP-OAHLLOKOSA-N 0 3 307.438 3.294 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1C(F)(F)F ZINC000912239708 620374038 /nfs/dbraw/zinc/37/40/38/620374038.db2.gz QCGBULJFTAAJOX-CYBMUJFWSA-N 0 3 300.324 3.005 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000912459620 620387233 /nfs/dbraw/zinc/38/72/33/620387233.db2.gz VFZBVXCRKFYITR-OAHLLOKOSA-N 0 3 315.442 3.110 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000912464355 620387543 /nfs/dbraw/zinc/38/75/43/620387543.db2.gz SKODRVQZSQNCEK-UONOGXRCSA-N 0 3 308.422 3.162 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000912464354 620387563 /nfs/dbraw/zinc/38/75/63/620387563.db2.gz SKODRVQZSQNCEK-KGLIPLIRSA-N 0 3 308.422 3.162 20 30 DGEDHN C#CCOc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000150897442 620403287 /nfs/dbraw/zinc/40/32/87/620403287.db2.gz NJJOQJLXPLQQLT-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN N#Cc1ccccc1N1CCCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000915364088 620581955 /nfs/dbraw/zinc/58/19/55/620581955.db2.gz QNKQGSPEAHDLQD-CQSZACIVSA-N 0 3 324.255 3.264 20 30 DGEDHN C[C@@H]1CC(N=Nc2ccc(Br)c(F)c2)CN1C ZINC000769827482 620887823 /nfs/dbraw/zinc/88/78/23/620887823.db2.gz AAGYOMRWPKNNOY-MRVPVSSYSA-N 0 3 300.175 3.080 20 30 DGEDHN CO[C@H]([C@@H](C)NCc1cc(C#N)ccc1Br)C1CC1 ZINC000922166691 620999584 /nfs/dbraw/zinc/99/95/84/620999584.db2.gz SGMVKNYGTFTPQM-MEBBXXQBSA-N 0 3 323.234 3.224 20 30 DGEDHN CO[C@@H]([C@H](C)NCc1cc(C#N)ccc1Br)C1CC1 ZINC000922166690 620999752 /nfs/dbraw/zinc/99/97/52/620999752.db2.gz SGMVKNYGTFTPQM-BONVTDFDSA-N 0 3 323.234 3.224 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597992 621006671 /nfs/dbraw/zinc/00/66/71/621006671.db2.gz CYDGORYHXWTXBH-QGZVFWFLSA-N 0 3 323.868 3.127 20 30 DGEDHN C[C@@H]1SCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000922213916 621007096 /nfs/dbraw/zinc/00/70/96/621007096.db2.gz DMQBSSNMWQMQJI-ZANVPECISA-N 0 3 311.248 3.304 20 30 DGEDHN CC(=O)NCc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000922235561 621010828 /nfs/dbraw/zinc/01/08/28/621010828.db2.gz GUIXZVZTPMYKNW-UHFFFAOYSA-N 0 3 321.424 3.101 20 30 DGEDHN C[C@@H](COc1c(F)cccc1F)NCc1csc(C#N)c1 ZINC000922245047 621012478 /nfs/dbraw/zinc/01/24/78/621012478.db2.gz QWRKZYSNBHKRPZ-JTQLQIEISA-N 0 3 308.353 3.455 20 30 DGEDHN C=C(C)CN(CC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000114712478 621036230 /nfs/dbraw/zinc/03/62/30/621036230.db2.gz JUQSQSUCKGDHAC-OAHLLOKOSA-N 0 3 320.396 3.122 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2ccnn2CCc2ccccc2)C1 ZINC000857049006 621050957 /nfs/dbraw/zinc/05/09/57/621050957.db2.gz FFKAFHJTIXVOGV-LJQANCHMSA-N 0 3 307.441 3.361 20 30 DGEDHN CC[C@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000922599605 621063506 /nfs/dbraw/zinc/06/35/06/621063506.db2.gz NMNHFFXUCDRYEM-CYBMUJFWSA-N 0 3 306.381 3.155 20 30 DGEDHN CC(C)(C)n1cc(CNC(C)(C)Cc2ccc(C#N)cc2)nn1 ZINC000922601079 621064081 /nfs/dbraw/zinc/06/40/81/621064081.db2.gz WCIGUNIUXQGTKW-UHFFFAOYSA-N 0 3 311.433 3.016 20 30 DGEDHN N#Cc1cc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)cs1 ZINC000922691315 621082520 /nfs/dbraw/zinc/08/25/20/621082520.db2.gz HJNLLSRJJXQYKC-JQWIXIFHSA-N 0 3 304.337 3.209 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC000115902646 621157877 /nfs/dbraw/zinc/15/78/77/621157877.db2.gz XLERJKGEBHIKJD-DOTOQJQBSA-N 0 3 312.413 3.122 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(-c2scnc2C)cc1 ZINC000858334493 621177011 /nfs/dbraw/zinc/17/70/11/621177011.db2.gz OIXOKCAEPQEHIG-INIZCTEOSA-N 0 3 300.427 3.246 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000858333791 621177114 /nfs/dbraw/zinc/17/71/14/621177114.db2.gz BETDGMZFCYPUMN-MRXNPFEDSA-N 0 3 314.360 3.141 20 30 DGEDHN C#CC[C@H](COC)NCc1cc(Cl)c(OCC=C)c(OC)c1 ZINC000858335050 621177425 /nfs/dbraw/zinc/17/74/25/621177425.db2.gz UXMJABHBOFUSED-CQSZACIVSA-N 0 3 323.820 3.041 20 30 DGEDHN C=CCN1CCC(Nc2cc(O[C@@H](C)CC)nc(C)n2)CC1 ZINC000858400599 621185780 /nfs/dbraw/zinc/18/57/80/621185780.db2.gz KYYDVERXSWIIQM-ZDUSSCGKSA-N 0 3 304.438 3.025 20 30 DGEDHN C=CCN1CCC(NC(=O)OCc2ccc(Cl)cc2)CC1 ZINC000858950966 621233992 /nfs/dbraw/zinc/23/39/92/621233992.db2.gz RABYHCYJOHYQBL-UHFFFAOYSA-N 0 3 308.809 3.217 20 30 DGEDHN C=CC[C@H]1CCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000859446443 621278550 /nfs/dbraw/zinc/27/85/50/621278550.db2.gz ZYSSWNWROCBNSQ-SWLSCSKDSA-N 0 3 310.235 3.381 20 30 DGEDHN CC(C)(C)[S@](=O)CCNCc1cccc(OCCCC#N)c1 ZINC000116920509 621318530 /nfs/dbraw/zinc/31/85/30/621318530.db2.gz DAAHNYSTZLTIMN-QFIPXVFZSA-N 0 3 322.474 3.006 20 30 DGEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000103330153 621349056 /nfs/dbraw/zinc/34/90/56/621349056.db2.gz RZJNBNYPJRQBTI-BXUZGUMPSA-N 0 3 312.394 3.239 20 30 DGEDHN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)C(C#N)C(=O)NC(C)C ZINC000753912398 621471265 /nfs/dbraw/zinc/47/12/65/621471265.db2.gz CLGMRPBVJDNVRK-YCPHGPKFSA-N 0 3 312.413 3.209 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(F)cc1C#N ZINC000754869393 621539062 /nfs/dbraw/zinc/53/90/62/621539062.db2.gz OHKBJOCJUUYFAY-UHFFFAOYSA-N 0 3 318.392 3.394 20 30 DGEDHN Cc1ccnc(C2CCN(Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000755221967 621559592 /nfs/dbraw/zinc/55/95/92/621559592.db2.gz ZISRYWRBKDJQFB-UHFFFAOYSA-N 0 3 322.412 3.067 20 30 DGEDHN C#C[C@@H](C)NCc1c[nH]nc1-c1ccc(Br)s1 ZINC000862362754 621578454 /nfs/dbraw/zinc/57/84/54/621578454.db2.gz FQAOBRFCLLAMOK-MRVPVSSYSA-N 0 3 310.220 3.012 20 30 DGEDHN C#Cc1ccc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000862541795 621599113 /nfs/dbraw/zinc/59/91/13/621599113.db2.gz WKEKSYOQONEUBK-AWEZNQCLSA-N 0 3 302.418 3.013 20 30 DGEDHN C#Cc1ccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000862541796 621599214 /nfs/dbraw/zinc/59/92/14/621599214.db2.gz WKEKSYOQONEUBK-CQSZACIVSA-N 0 3 302.418 3.013 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCCCC1 ZINC000863031337 621634039 /nfs/dbraw/zinc/63/40/39/621634039.db2.gz FSYDHQBTCXQFGU-QGZVFWFLSA-N 0 3 302.462 3.093 20 30 DGEDHN CC(=NNCC(C)(C)O)c1ccc(N2CCCCCC2)cc1 ZINC000863140087 621642716 /nfs/dbraw/zinc/64/27/16/621642716.db2.gz AOKMOVNPLKDYHK-UHFFFAOYSA-N 0 3 303.450 3.152 20 30 DGEDHN C#CC[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000756995214 621677827 /nfs/dbraw/zinc/67/78/27/621677827.db2.gz DROMXZWJOKVCGT-HXUWFJFHSA-N 0 3 318.420 3.433 20 30 DGEDHN C#C[C@H](CC)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809686235 621708637 /nfs/dbraw/zinc/70/86/37/621708637.db2.gz CLDGJNXSPNILKW-OAHLLOKOSA-N 0 3 301.390 3.087 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000864345578 621758780 /nfs/dbraw/zinc/75/87/80/621758780.db2.gz AIMCVYKKVCMJRZ-FWAGEJBCSA-N 0 3 302.418 3.225 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000864345584 621758975 /nfs/dbraw/zinc/75/89/75/621758975.db2.gz AIMCVYKKVCMJRZ-XQGPJPATSA-N 0 3 302.418 3.225 20 30 DGEDHN CCCCN(Cn1ccc(C)c(C#N)c1=O)C1CCCCC1 ZINC000758209264 621766559 /nfs/dbraw/zinc/76/65/59/621766559.db2.gz JGMVLSXMWAZGKH-UHFFFAOYSA-N 0 3 301.434 3.421 20 30 DGEDHN C#CCCCCN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000758473461 621784470 /nfs/dbraw/zinc/78/44/70/621784470.db2.gz JMYYKPWCRANEPQ-FQEVSTJZSA-N 0 3 320.436 3.437 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000120235721 621811521 /nfs/dbraw/zinc/81/15/21/621811521.db2.gz IRGBTQJNPHZOSV-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN Cc1cc(N=NC(C)c2ccc(F)cc2N(C)C)nc(C)n1 ZINC000759201912 621836105 /nfs/dbraw/zinc/83/61/05/621836105.db2.gz MYIJINAMERKIRV-UHFFFAOYSA-N 0 3 301.369 3.135 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000865194524 621872358 /nfs/dbraw/zinc/87/23/58/621872358.db2.gz XRRBAORXEWRJML-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2conc2C2CCCC2)CC1 ZINC000865193128 621872443 /nfs/dbraw/zinc/87/24/43/621872443.db2.gz GMJQQXUQXXIFCQ-UHFFFAOYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC(F)F)cc1F ZINC000865590639 621957956 /nfs/dbraw/zinc/95/79/56/621957956.db2.gz XNQKIQGTQDBOFX-KGLIPLIRSA-N 0 3 301.308 3.250 20 30 DGEDHN N#CCOc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000761116847 621988149 /nfs/dbraw/zinc/98/81/49/621988149.db2.gz DOMKYOQKTMSYER-UHFFFAOYSA-N 0 3 322.412 3.060 20 30 DGEDHN CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259543 622078041 /nfs/dbraw/zinc/07/80/41/622078041.db2.gz CIURZOLSWIOAIW-GJZGRUSLSA-N 0 3 301.434 3.035 20 30 DGEDHN C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1[O-])N1CCCCC1 ZINC000866338394 622096843 /nfs/dbraw/zinc/09/68/43/622096843.db2.gz RBXOQAOFWULWOX-CABCVRRESA-N 0 3 301.434 3.179 20 30 DGEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cn2ccccc2n1 ZINC000866617580 622148135 /nfs/dbraw/zinc/14/81/35/622148135.db2.gz LSFPFGDTRIESNB-SUMWQHHRSA-N 0 3 302.381 3.024 20 30 DGEDHN C#CCN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000763949324 622170522 /nfs/dbraw/zinc/17/05/22/622170522.db2.gz KRGXVARCKUXSDV-UHFFFAOYSA-N 0 3 310.319 3.132 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913091 622293668 /nfs/dbraw/zinc/29/36/68/622293668.db2.gz RMJLHWQNUPIUAA-NBUZRDOWSA-N 0 3 316.364 3.464 20 30 DGEDHN CC(C)[C@@H]1CC(=NNC2=N[C@@H]3CCCC[C@H]3N2)c2ccccc21 ZINC000766453053 622331298 /nfs/dbraw/zinc/33/12/98/622331298.db2.gz MDAADNZODJYQBL-GVDBMIGSSA-N 0 3 310.445 3.394 20 30 DGEDHN C#CCN1CCC(C(=O)NCC[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000767027581 622370164 /nfs/dbraw/zinc/37/01/64/622370164.db2.gz FEBDCVOXCLYCLL-DLBZAZTESA-N 0 3 318.505 3.300 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C1CCN(C(C)=O)CC1 ZINC000768193356 622444978 /nfs/dbraw/zinc/44/49/78/622444978.db2.gz MJUGTEQWKNPRDJ-UHFFFAOYSA-N 0 3 312.866 3.400 20 30 DGEDHN CCOC(=O)C1(C/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])CC1 ZINC000769719097 622553497 /nfs/dbraw/zinc/55/34/97/622553497.db2.gz ZUEURQGDRVVHFY-UNOMPAQXSA-N 0 3 318.417 3.001 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000770568825 622646337 /nfs/dbraw/zinc/64/63/37/622646337.db2.gz PEEGRIYNXGLSDB-RKKWNQIZSA-N 0 3 304.434 3.472 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCCSC)cc1 ZINC000124027474 622881562 /nfs/dbraw/zinc/88/15/62/622881562.db2.gz CKCSHJAIYSFROT-HNNXBMFYSA-N 0 3 318.442 3.430 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)c(F)c1 ZINC000772905287 622952263 /nfs/dbraw/zinc/95/22/63/622952263.db2.gz WOBCOAGFAXEZGQ-MRXNPFEDSA-N 0 3 304.752 3.174 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1ccoc1 ZINC000773979203 623095779 /nfs/dbraw/zinc/09/57/79/623095779.db2.gz GDDKXMQBVAKSAX-INIZCTEOSA-N 0 3 324.380 3.294 20 30 DGEDHN CC[C@@](C)(NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000775390189 623265694 /nfs/dbraw/zinc/26/56/94/623265694.db2.gz JLVQQXOBQFGLES-HXUWFJFHSA-N 0 3 321.424 3.089 20 30 DGEDHN CC[C@@](C)(NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000775396728 623266963 /nfs/dbraw/zinc/26/69/63/623266963.db2.gz USCSJFVOYNQLLE-GOSISDBHSA-N 0 3 313.445 3.244 20 30 DGEDHN C#CC[C@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775399439 623268675 /nfs/dbraw/zinc/26/86/75/623268675.db2.gz HFZWWNDSJONVRX-ROUUACIJSA-N 0 3 301.336 3.352 20 30 DGEDHN N#CCC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775550635 623288487 /nfs/dbraw/zinc/28/84/87/623288487.db2.gz JNVMOWUEAZPJSG-RBUKOAKNSA-N 0 3 305.381 3.226 20 30 DGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H](C)Cc2ccccc2)c1 ZINC000775909075 623349261 /nfs/dbraw/zinc/34/92/61/623349261.db2.gz ORCOLAMTHMWDAY-QGZVFWFLSA-N 0 3 320.436 3.417 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2OC)CC1 ZINC000776074370 623371701 /nfs/dbraw/zinc/37/17/01/623371701.db2.gz JYSBERTXKHDISF-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776162832 623386168 /nfs/dbraw/zinc/38/61/68/623386168.db2.gz MPRJUAJECUXYEE-HNAYVOBHSA-N 0 3 310.397 3.282 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000876552691 623641750 /nfs/dbraw/zinc/64/17/50/623641750.db2.gz AHHJBVAETKFTMP-XJKSGUPXSA-N 0 3 306.837 3.284 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000876587477 623652273 /nfs/dbraw/zinc/65/22/73/623652273.db2.gz SGTITYOHDPILGQ-GPANFISMSA-N 0 3 306.837 3.299 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000876594021 623654794 /nfs/dbraw/zinc/65/47/94/623654794.db2.gz QXOCXCVXXCDRTK-KGLIPLIRSA-N 0 3 312.816 3.499 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000876593355 623654843 /nfs/dbraw/zinc/65/48/43/623654843.db2.gz UHZGBNWTIAVBTC-LBPRGKRZSA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000876635106 623666018 /nfs/dbraw/zinc/66/60/18/623666018.db2.gz MEPNIBRJAUIURB-IAGOWNOFSA-N 0 3 320.864 3.246 20 30 DGEDHN CC(C)OCCNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000778552971 623668384 /nfs/dbraw/zinc/66/83/84/623668384.db2.gz XXRQZCLTSSROLH-ZYNUAKMPSA-N 0 3 301.434 3.298 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000876644977 623668604 /nfs/dbraw/zinc/66/86/04/623668604.db2.gz GWUQMIBJYRBVAS-IXDOHACOSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000876648213 623670400 /nfs/dbraw/zinc/67/04/00/623670400.db2.gz YAWSGFAPEIWGSB-JKSUJKDBSA-N 0 3 324.827 3.219 20 30 DGEDHN N#Cc1cccc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000876661768 623673222 /nfs/dbraw/zinc/67/32/22/623673222.db2.gz HGFILWHYSJTYQQ-RBUKOAKNSA-N 0 3 307.397 3.041 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000876663061 623674052 /nfs/dbraw/zinc/67/40/52/623674052.db2.gz WDGRDQLTXABQAI-ZDUSSCGKSA-N 0 3 306.797 3.026 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000876663059 623674493 /nfs/dbraw/zinc/67/44/93/623674493.db2.gz WDGRDQLTXABQAI-CYBMUJFWSA-N 0 3 306.797 3.026 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000876670275 623676189 /nfs/dbraw/zinc/67/61/89/623676189.db2.gz BFULOMPPVIAXHJ-ONERCXAPSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000876672039 623677258 /nfs/dbraw/zinc/67/72/58/623677258.db2.gz RSMCHYNNEROBQB-ONERCXAPSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2ccn(CCC)c2c1 ZINC000876674339 623677777 /nfs/dbraw/zinc/67/77/77/623677777.db2.gz IBTRUVGZPXSJOI-AWEZNQCLSA-N 0 3 305.809 3.460 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000876686891 623681975 /nfs/dbraw/zinc/68/19/75/623681975.db2.gz JSOHNXBBXKENDP-WKPIXPDZSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000876699846 623685774 /nfs/dbraw/zinc/68/57/74/623685774.db2.gz KGERCAAZQZPETE-GZMMTYOYSA-N 0 3 305.180 3.126 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN(C)[C@@H](CCO)c1ccccc1 ZINC000876741938 623694382 /nfs/dbraw/zinc/69/43/82/623694382.db2.gz WZSXFSZHDINCGN-FQEVSTJZSA-N 0 3 323.440 3.180 20 30 DGEDHN C#CCN(CC)Cc1ccc(Br)c2cccnc12 ZINC000778999445 623719669 /nfs/dbraw/zinc/71/96/69/623719669.db2.gz LWTIGFVWHNKZDL-UHFFFAOYSA-N 0 3 303.203 3.452 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000876906825 623740882 /nfs/dbraw/zinc/74/08/82/623740882.db2.gz IRNCMNRSZSSBAM-HZPDHXFCSA-N 0 3 306.837 3.383 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000876910659 623741986 /nfs/dbraw/zinc/74/19/86/623741986.db2.gz IFXNMZXWSJSYFG-QWRGUYRKSA-N 0 3 324.774 3.037 20 30 DGEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2c1 ZINC000126334525 623790983 /nfs/dbraw/zinc/79/09/83/623790983.db2.gz DHRZILHQUVBABD-CYBMUJFWSA-N 0 3 319.320 3.097 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(Cc1ccccc1)C(C)C ZINC000877198580 623825102 /nfs/dbraw/zinc/82/51/02/623825102.db2.gz JYBBETMFNYPPMX-NVXWUHKLSA-N 0 3 308.853 3.230 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2F)C1(C)C ZINC000877255972 623837637 /nfs/dbraw/zinc/83/76/37/623837637.db2.gz LHGPZLOQGKATMV-ZFWWWQNUSA-N 0 3 324.827 3.390 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(Cl)c(C)c2C1 ZINC000877287812 623843522 /nfs/dbraw/zinc/84/35/22/623843522.db2.gz AXXHZDXUONHOPZ-CQSZACIVSA-N 0 3 313.228 3.003 20 30 DGEDHN C[C@@H](CCC#N)CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000877435315 623879562 /nfs/dbraw/zinc/87/95/62/623879562.db2.gz DBNVUJMPFXWAEX-ZDUSSCGKSA-N 0 3 308.372 3.188 20 30 DGEDHN C[C@@H]1C[C@@H](CCNCc2cc(C#N)cnc2Cl)C[C@H](C)O1 ZINC000877505385 623916119 /nfs/dbraw/zinc/91/61/19/623916119.db2.gz SNQOCSFQYKKESW-CLLJXQQHSA-N 0 3 307.825 3.290 20 30 DGEDHN C[C@]1(CCNCc2cc(C#N)cnc2Cl)C[C@]1(F)Cl ZINC000877611374 623962319 /nfs/dbraw/zinc/96/23/19/623962319.db2.gz PZRLJZGDVPHXFD-QWHCGFSZSA-N 0 3 302.180 3.401 20 30 DGEDHN COc1cccc(CN(C)CCc2cccc(C#N)c2)c1OC ZINC000877704587 623999057 /nfs/dbraw/zinc/99/90/57/623999057.db2.gz RGVHSUULGPKQQJ-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCCOC1 ZINC000781455511 624072999 /nfs/dbraw/zinc/07/29/99/624072999.db2.gz DYRMYRPKOFMLBS-MEDUHNTESA-N 0 3 318.373 3.428 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000877917254 624091765 /nfs/dbraw/zinc/09/17/65/624091765.db2.gz RNNTYVSOZFTNSC-UXHICEINSA-N 0 3 311.425 3.159 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCC2)O1 ZINC000878010561 624133349 /nfs/dbraw/zinc/13/33/49/624133349.db2.gz LADDTDUDSZEVNQ-SFHVURJKSA-N 0 3 314.429 3.108 20 30 DGEDHN C#CCSCCNCc1cc(F)ccc1Br ZINC000126933680 624193538 /nfs/dbraw/zinc/19/35/38/624193538.db2.gz UTMQOQGBJJRMOC-UHFFFAOYSA-N 0 3 302.212 3.044 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000782192816 624217958 /nfs/dbraw/zinc/21/79/58/624217958.db2.gz VCVBDHPASMTDEL-AWEZNQCLSA-N 0 3 317.433 3.418 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000782192818 624218131 /nfs/dbraw/zinc/21/81/31/624218131.db2.gz VCVBDHPASMTDEL-CQSZACIVSA-N 0 3 317.433 3.418 20 30 DGEDHN N#CCC[C@@H](NC[C@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000878375284 624260639 /nfs/dbraw/zinc/26/06/39/624260639.db2.gz CVFIIKHZWNSUGP-QZTJIDSGSA-N 0 3 316.445 3.067 20 30 DGEDHN C=CCN1CCC(NC(=O)CC[C@H]2CCc3ccccc32)CC1 ZINC000878751472 624353758 /nfs/dbraw/zinc/35/37/58/624353758.db2.gz YKCLHUJBTGEGIB-QGZVFWFLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000783533370 624362301 /nfs/dbraw/zinc/36/23/01/624362301.db2.gz YWGCTKJJQXHILC-INIZCTEOSA-N 0 3 309.475 3.354 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CC1(CC#N)CC1 ZINC000878814769 624365877 /nfs/dbraw/zinc/36/58/77/624365877.db2.gz UEMQUQDIZIOKIR-KGLIPLIRSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H](CCF)C1)c1ccccc1 ZINC000878949341 624394837 /nfs/dbraw/zinc/39/48/37/624394837.db2.gz LKZNZJWPXNCSRU-PKOBYXMFSA-N 0 3 316.420 3.499 20 30 DGEDHN C[C@]1(NCc2cc(Cl)ccc2OCC#N)CCO[C@H]1C1CC1 ZINC000784587819 624554627 /nfs/dbraw/zinc/55/46/27/624554627.db2.gz IITYPPHBTFFIBL-IRXDYDNUSA-N 0 3 320.820 3.290 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879560159 624589919 /nfs/dbraw/zinc/58/99/19/624589919.db2.gz RMUQBIVHKKHIPQ-JSGCOSHPSA-N 0 3 322.861 3.427 20 30 DGEDHN N#Cc1cnccc1CN[C@H](Cc1cccnc1)C1CCCC1 ZINC000879675721 624636253 /nfs/dbraw/zinc/63/62/53/624636253.db2.gz APXDXYCLDIXPOI-LJQANCHMSA-N 0 3 306.413 3.239 20 30 DGEDHN Cc1cncc([C@H]2CCCN2CCOc2ccccc2C#N)c1 ZINC000879748130 624663502 /nfs/dbraw/zinc/66/35/02/624663502.db2.gz ZSBWAYMBPWHDRD-GOSISDBHSA-N 0 3 307.397 3.478 20 30 DGEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1C#N ZINC000785617859 624702381 /nfs/dbraw/zinc/70/23/81/624702381.db2.gz XMIHWWQVIJKWMK-SFHVURJKSA-N 0 3 303.365 3.216 20 30 DGEDHN C=CCOCCN1CCCSC[C@@H]1c1ccccc1OC ZINC000880175786 624820611 /nfs/dbraw/zinc/82/06/11/624820611.db2.gz FMXWQOQYPQOAMD-MRXNPFEDSA-N 0 3 307.459 3.378 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](CC(=O)C(C#N)C(=O)NC2CC2)c2ccccc21 ZINC000786305360 624846973 /nfs/dbraw/zinc/84/69/73/624846973.db2.gz DIVJEABTTONHGQ-DOPJRALCSA-N 0 3 324.424 3.291 20 30 DGEDHN CCOC(=O)c1sc([C@@H]2CCN([C@H](C)CCC#N)C2)nc1C ZINC000880324823 624919801 /nfs/dbraw/zinc/91/98/01/624919801.db2.gz NLWMLQYTYADBCK-DGCLKSJQSA-N 0 3 321.446 3.110 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000787310829 624999492 /nfs/dbraw/zinc/99/94/92/624999492.db2.gz QWEFGISUAQLASU-INIZCTEOSA-N 0 3 304.409 3.203 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000788608336 625227194 /nfs/dbraw/zinc/22/71/94/625227194.db2.gz FLZBEIINJIMDHM-VXGBXAGGSA-N 0 3 310.357 3.460 20 30 DGEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788794818 625268018 /nfs/dbraw/zinc/26/80/18/625268018.db2.gz JFINZXMHPUJNAK-DIFFPNOSSA-N 0 3 322.368 3.387 20 30 DGEDHN C#CC[C@H](CO)NCc1cc(-c2ccccc2C)ccc1OC ZINC000883125568 625934938 /nfs/dbraw/zinc/93/49/38/625934938.db2.gz MVEIJSOYCNPLTR-GOSISDBHSA-N 0 3 309.409 3.144 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796621004 626066988 /nfs/dbraw/zinc/06/69/88/626066988.db2.gz YEGFTICHVYDSHM-WDEREUQCSA-N 0 3 303.312 3.185 20 30 DGEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccccc1Cl ZINC000796632633 626068065 /nfs/dbraw/zinc/06/80/65/626068065.db2.gz AKLJJYXQIHJBHA-QMMMGPOBSA-N 0 3 300.692 3.033 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000796633776 626068263 /nfs/dbraw/zinc/06/82/63/626068263.db2.gz OYEIMSMYUTWULY-WCQYABFASA-N 0 3 306.312 3.078 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000796639177 626069196 /nfs/dbraw/zinc/06/91/96/626069196.db2.gz IITLXKUIUPLTSU-UHFFFAOYSA-N 0 3 310.372 3.290 20 30 DGEDHN CC[C@](C)(OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000796648645 626070140 /nfs/dbraw/zinc/07/01/40/626070140.db2.gz DOHLAVOAJUGFLC-HWPZZCPQSA-N 0 3 321.327 3.423 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2occ3c2CCC3)cc1 ZINC000796801039 626084610 /nfs/dbraw/zinc/08/46/10/626084610.db2.gz VMYJRCCQFCPUDH-MRXNPFEDSA-N 0 3 322.364 3.292 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000796815617 626086135 /nfs/dbraw/zinc/08/61/35/626086135.db2.gz FNZMYXAPVRIHMZ-PBHICJAKSA-N 0 3 310.401 3.258 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000796822258 626087083 /nfs/dbraw/zinc/08/70/83/626087083.db2.gz YZLLWOCYJSINPM-LBPRGKRZSA-N 0 3 323.352 3.287 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000801910994 626424907 /nfs/dbraw/zinc/42/49/07/626424907.db2.gz ZZZVJUMYHREJLK-UKRRQHHQSA-N 0 3 308.809 3.112 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000801910993 626424921 /nfs/dbraw/zinc/42/49/21/626424921.db2.gz ZZZVJUMYHREJLK-HIFRSBDPSA-N 0 3 308.809 3.112 20 30 DGEDHN Cc1cccc2nc(C3CCN(CCO[C@@H](C)C#N)CC3)oc21 ZINC000801946516 626427683 /nfs/dbraw/zinc/42/76/83/626427683.db2.gz JUAIOWOYSZNUAS-AWEZNQCLSA-N 0 3 313.401 3.244 20 30 DGEDHN C=CCN1CCN(CN[C@@H](c2ccccc2)C(C)(C)C)C1=O ZINC000839959126 626438703 /nfs/dbraw/zinc/43/87/03/626438703.db2.gz DEVJYUAOUUYRIC-INIZCTEOSA-N 0 3 301.434 3.245 20 30 DGEDHN C[C@H](C#N)OCCN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000802740307 626569075 /nfs/dbraw/zinc/56/90/75/626569075.db2.gz JDQUZJVAWAYPJU-MLGOLLRUSA-N 0 3 304.390 3.495 20 30 DGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000802797476 626573453 /nfs/dbraw/zinc/57/34/53/626573453.db2.gz WAZVHSJFUXVBQV-DGCLKSJQSA-N 0 3 322.355 3.116 20 30 DGEDHN C=CCC[C@H](N[C@@H]1CCn2ccnc21)[C@H]1Cc2ccccc2O1 ZINC000883226237 626615598 /nfs/dbraw/zinc/61/55/98/626615598.db2.gz URWUQCPRIXSLLL-LZLYRXPVSA-N 0 3 309.413 3.256 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000883390175 626670788 /nfs/dbraw/zinc/67/07/88/626670788.db2.gz HJAJWZRWLXKFBZ-ZYHUDNBSSA-N 0 3 303.324 3.405 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000883390266 626670848 /nfs/dbraw/zinc/67/08/48/626670848.db2.gz IRJKCULOQKVZTB-HUUCEWRRSA-N 0 3 317.351 3.310 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1CCC)c1ccc(Cl)cc1F ZINC000804421453 626678536 /nfs/dbraw/zinc/67/85/36/626678536.db2.gz XTVFEMXCIDDXTG-CVEARBPZSA-N 0 3 322.811 3.144 20 30 DGEDHN Cc1cccc(C(C)C)c1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884047022 626811009 /nfs/dbraw/zinc/81/10/09/626811009.db2.gz ANIUVEVWCXZXON-HVEKOLDVSA-N 0 3 311.429 3.196 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000809650350 626932757 /nfs/dbraw/zinc/93/27/57/626932757.db2.gz WBDAUXXFGZMFPK-LJQANCHMSA-N 0 3 310.441 3.081 20 30 DGEDHN C#C[C@@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)C(C)C ZINC000809685432 626936016 /nfs/dbraw/zinc/93/60/16/626936016.db2.gz SZVNQOYSUNJROB-CYBMUJFWSA-N 0 3 315.335 3.384 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000810047252 626972593 /nfs/dbraw/zinc/97/25/93/626972593.db2.gz QHHCOGQKQSGGAC-LBPRGKRZSA-N 0 3 317.364 3.075 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1ccccn1 ZINC000136102240 627045126 /nfs/dbraw/zinc/04/51/26/627045126.db2.gz OHUZQEJNYNTSDY-HNNXBMFYSA-N 0 3 318.380 3.167 20 30 DGEDHN COc1ccccc1CN(C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885960564 627071020 /nfs/dbraw/zinc/07/10/20/627071020.db2.gz MZMXTJCXPDSBDO-QGZVFWFLSA-N 0 3 314.429 3.104 20 30 DGEDHN CC[C@](C)(NC[C@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886072801 627098822 /nfs/dbraw/zinc/09/88/22/627098822.db2.gz MZGHNGFWYQDHLO-HIFRSBDPSA-N 0 3 307.463 3.111 20 30 DGEDHN CN(Cc1ccc(Cl)c(F)c1)C[C@H](O)CC1(C#N)CCC1 ZINC000886098926 627102001 /nfs/dbraw/zinc/10/20/01/627102001.db2.gz SLAGVZPLZNWFDD-CYBMUJFWSA-N 0 3 310.800 3.356 20 30 DGEDHN CC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886112421 627107389 /nfs/dbraw/zinc/10/73/89/627107389.db2.gz XTCGZYVKIXLDMW-CJNGLKHVSA-N 0 3 308.372 3.450 20 30 DGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000886129533 627109923 /nfs/dbraw/zinc/10/99/23/627109923.db2.gz IAJHEEWZYFYMRZ-QWHCGFSZSA-N 0 3 315.442 3.392 20 30 DGEDHN CSc1ccccc1CN(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886181598 627118373 /nfs/dbraw/zinc/11/83/73/627118373.db2.gz PCPGJDZLJKVDBL-OAHLLOKOSA-N 0 3 304.459 3.285 20 30 DGEDHN C#CCN(C(=O)[C@@H](CC)CC1CCCC1)C1CCN(C)CC1 ZINC000886581481 627167366 /nfs/dbraw/zinc/16/73/66/627167366.db2.gz YNODNVLDDSUJCL-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CCCc2ccccc21)C1CCN(C)CC1 ZINC000886582277 627167517 /nfs/dbraw/zinc/16/75/17/627167517.db2.gz NGVKUDBWVIHICW-SFHVURJKSA-N 0 3 324.468 3.053 20 30 DGEDHN C#C[C@@H](NC1CCN(C(=O)CC)CC1)c1ccc(Cl)cc1 ZINC000811516556 627286515 /nfs/dbraw/zinc/28/65/15/627286515.db2.gz PIYTYQCETSQECA-MRXNPFEDSA-N 0 3 304.821 3.005 20 30 DGEDHN CCCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213892 627468288 /nfs/dbraw/zinc/46/82/88/627468288.db2.gz NGXVHOIKYIFOBM-NSHDSACASA-N 0 3 300.280 3.093 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217417 627468911 /nfs/dbraw/zinc/46/89/11/627468911.db2.gz FTAFAIKCQRYWPJ-ZIYVKSGCSA-N 0 3 324.302 3.259 20 30 DGEDHN C=CCCC[C@@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000889929002 627484336 /nfs/dbraw/zinc/48/43/36/627484336.db2.gz ONKLLHIXVMUFRI-GOSISDBHSA-N 0 3 315.461 3.431 20 30 DGEDHN CN(C)c1ccccc1CNN=C1CCCc2ccc(N)cc21 ZINC000814925856 627608670 /nfs/dbraw/zinc/60/86/70/627608670.db2.gz MWIBCGHWRWDMQP-UHFFFAOYSA-N 0 3 308.429 3.165 20 30 DGEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000815094450 627626350 /nfs/dbraw/zinc/62/63/50/627626350.db2.gz BMEQBUKTQDSEIF-UHFFFAOYSA-N 0 3 302.409 3.168 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000924698780 627669426 /nfs/dbraw/zinc/66/94/26/627669426.db2.gz CADZTJHQGKKEMI-RDJZCZTQSA-N 0 3 313.445 3.268 20 30 DGEDHN COc1ccc(CN[C@@H](C)CC(C)(C)C#N)c(OC)c1OC ZINC000924710331 627671228 /nfs/dbraw/zinc/67/12/28/627671228.db2.gz JLJZISKTCKMOOI-LBPRGKRZSA-N 0 3 306.406 3.130 20 30 DGEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000924812846 627682803 /nfs/dbraw/zinc/68/28/03/627682803.db2.gz YCEOCNVYQPNUQH-QWHCGFSZSA-N 0 3 308.447 3.069 20 30 DGEDHN CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1[O-] ZINC000924960665 627697880 /nfs/dbraw/zinc/69/78/80/627697880.db2.gz QPXBUYJFMWDKSU-QAPCUYQASA-N 0 3 315.461 3.425 20 30 DGEDHN CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1[O-] ZINC000924960662 627698057 /nfs/dbraw/zinc/69/80/57/627698057.db2.gz QPXBUYJFMWDKSU-CRAIPNDOSA-N 0 3 315.461 3.425 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000816038679 627729231 /nfs/dbraw/zinc/72/92/31/627729231.db2.gz DGIBYYDXHLFHOZ-SYNTWQANSA-N 0 3 324.424 3.180 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000816600931 627813516 /nfs/dbraw/zinc/81/35/16/627813516.db2.gz LQJZLSWXKNNFKV-ZDUSSCGKSA-N 0 3 316.779 3.270 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000926541984 627911510 /nfs/dbraw/zinc/91/15/10/627911510.db2.gz UVXCQKCOFQFWAA-QLFBSQMISA-N 0 3 313.445 3.271 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CC(NCC3(C#N)CC3)C2)CC1 ZINC000926874278 627966976 /nfs/dbraw/zinc/96/69/76/627966976.db2.gz NHEOVLBCPOZJFE-UHFFFAOYSA-N 0 3 319.449 3.059 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCC2(C#N)CC2)CC(C)(C)C1 ZINC000926874291 627967877 /nfs/dbraw/zinc/96/78/77/627967877.db2.gz NTRNFTQETBCZHM-KBPBESRZSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(Br)cs1 ZINC000818346637 628017326 /nfs/dbraw/zinc/01/73/26/628017326.db2.gz GPBJSILOHGZYFX-GUBZILKMSA-N 0 3 317.252 3.147 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000927141640 628025664 /nfs/dbraw/zinc/02/56/64/628025664.db2.gz YJGDNHBNYNMYAI-RVHYNSKXSA-N 0 3 321.420 3.398 20 30 DGEDHN COc1cc(C)ccc1[C@H](C)NCCNc1ccc(C#N)cn1 ZINC000927165331 628030468 /nfs/dbraw/zinc/03/04/68/628030468.db2.gz POFRKRQWMYDALM-AWEZNQCLSA-N 0 3 310.401 3.033 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1C ZINC000928454255 628151882 /nfs/dbraw/zinc/15/18/82/628151882.db2.gz QWZDTDZZQRWRMV-AUUYWEPGSA-N 0 3 319.408 3.048 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000820766574 628296493 /nfs/dbraw/zinc/29/64/93/628296493.db2.gz MYBUPJQFVIFIJL-PVAVHDDUSA-N 0 3 312.413 3.180 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC(=O)Cc1ccccc1 ZINC000823617021 628579896 /nfs/dbraw/zinc/57/98/96/628579896.db2.gz FCELBFVUWUGDHJ-MRXNPFEDSA-N 0 3 322.408 3.337 20 30 DGEDHN C#CCC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823844579 628602204 /nfs/dbraw/zinc/60/22/04/628602204.db2.gz BTBVCXHRNNVWLR-CQSZACIVSA-N 0 3 317.396 3.208 20 30 DGEDHN C#CCC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823844579 628602207 /nfs/dbraw/zinc/60/22/07/628602207.db2.gz BTBVCXHRNNVWLR-CQSZACIVSA-N 0 3 317.396 3.208 20 30 DGEDHN C=C(C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823882944 628606816 /nfs/dbraw/zinc/60/68/16/628606816.db2.gz GTNYYFWAJXMJIA-AWEZNQCLSA-N 0 3 305.385 3.231 20 30 DGEDHN C=C(C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882944 628606820 /nfs/dbraw/zinc/60/68/20/628606820.db2.gz GTNYYFWAJXMJIA-AWEZNQCLSA-N 0 3 305.385 3.231 20 30 DGEDHN C=CCC(F)(F)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000823905670 628609142 /nfs/dbraw/zinc/60/91/42/628609142.db2.gz KMQWOLNNFNISCD-CQSZACIVSA-N 0 3 308.372 3.107 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 ZINC000825118958 628730051 /nfs/dbraw/zinc/73/00/51/628730051.db2.gz ZRLCDSGGKMDKGT-CEXWTWQISA-N 0 3 323.440 3.151 20 30 DGEDHN CCCCCCCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000826603469 628863986 /nfs/dbraw/zinc/86/39/86/628863986.db2.gz XGUVWZRFACFSRT-GPMSIDNRSA-N 0 3 324.509 3.386 20 30 DGEDHN N#Cc1ccsc1C(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000826673200 628871397 /nfs/dbraw/zinc/87/13/97/628871397.db2.gz HOMYPEPDSOYQIA-HNNXBMFYSA-N 0 3 317.458 3.147 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2cc(OC)ccc2OCOC)C1 ZINC000826945672 628905603 /nfs/dbraw/zinc/90/56/03/628905603.db2.gz AJULZYSWIZCFBG-HNNXBMFYSA-N 0 3 305.418 3.466 20 30 DGEDHN C#C[C@H](NCc1ccccc1OCCCC)C1CCOCC1 ZINC000827559474 628970606 /nfs/dbraw/zinc/97/06/06/628970606.db2.gz FYRPVZKNDGKRCV-SFHVURJKSA-N 0 3 301.430 3.384 20 30 DGEDHN C#C[C@@H](NCc1ccc(Br)s1)C1CCOCC1 ZINC000827569731 628971926 /nfs/dbraw/zinc/97/19/26/628971926.db2.gz DZPCROIRTOEUJY-GFCCVEGCSA-N 0 3 314.248 3.029 20 30 DGEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000829778860 629191741 /nfs/dbraw/zinc/19/17/41/629191741.db2.gz JAYDUCQBBZKICA-XJKSGUPXSA-N 0 3 311.347 3.474 20 30 DGEDHN C#CC[C@@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 ZINC000829806145 629195300 /nfs/dbraw/zinc/19/53/00/629195300.db2.gz ZWPXZPGHTPVTJN-CJNGLKHVSA-N 0 3 322.246 3.218 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000831678819 629403634 /nfs/dbraw/zinc/40/36/34/629403634.db2.gz IALWENUBXNXUDR-VHSSKADRSA-N 0 3 310.397 3.100 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000831830600 629416645 /nfs/dbraw/zinc/41/66/45/629416645.db2.gz XSXRSKRIHVNMCN-RYUDHWBXSA-N 0 3 300.349 3.036 20 30 DGEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000834904204 629803852 /nfs/dbraw/zinc/80/38/52/629803852.db2.gz WGSIZGNOTBOIKR-HNNXBMFYSA-N 0 3 319.408 3.048 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CC(F)(F)C1 ZINC000835038549 629831536 /nfs/dbraw/zinc/83/15/36/629831536.db2.gz XCSHIBDYBULLLB-NSHDSACASA-N 0 3 303.312 3.185 20 30 DGEDHN CCCN(C)[C@H](CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC000837626745 630288747 /nfs/dbraw/zinc/28/87/47/630288747.db2.gz NDCBRRPTKJEKLN-QGZVFWFLSA-N 0 3 318.848 3.253 20 30 DGEDHN C#CCCOc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000840956688 630385258 /nfs/dbraw/zinc/38/52/58/630385258.db2.gz BWPNFVGZVYNKPO-TZIWHRDSSA-N 0 3 321.420 3.397 20 30 DGEDHN Cc1cc(C)cc(OCCN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000841492765 630442216 /nfs/dbraw/zinc/44/22/16/630442216.db2.gz ONLSEFZCIBVMIM-FQEVSTJZSA-N 0 3 324.424 3.219 20 30 DGEDHN c1ccc([C@@H]2CC(=NNC3CCOCC3)CCN2C2CC2)cc1 ZINC000841629366 630449424 /nfs/dbraw/zinc/44/94/24/630449424.db2.gz NCRXGQOJNWYCHW-IBGZPJMESA-N 0 3 313.445 3.111 20 30 DGEDHN c1ccc([C@@H]2CC(=NN[C@@H]3CCCOC3)CCN2C2CC2)cc1 ZINC000841636888 630450691 /nfs/dbraw/zinc/45/06/91/630450691.db2.gz CWXAFTVODYRDEG-MJGOQNOKSA-N 0 3 313.445 3.111 20 30 DGEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842287729 630511425 /nfs/dbraw/zinc/51/14/25/630511425.db2.gz DSSOCYHRLLDUMO-HZPDHXFCSA-N 0 3 314.385 3.072 20 30 DGEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000844367424 630721876 /nfs/dbraw/zinc/72/18/76/630721876.db2.gz BAVZPDWCHNGMSG-ZWKOTPCHSA-N 0 3 314.429 3.015 20 30 DGEDHN CC([C@@H](OC(=O)CC(C)(C)C#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877652 631200568 /nfs/dbraw/zinc/20/05/68/631200568.db2.gz FWZINRRURYUBSQ-QMTHXVAHSA-N 0 3 308.309 3.015 20 30 DGEDHN COc1cc(C)ccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006196 631205415 /nfs/dbraw/zinc/20/54/15/631205415.db2.gz HFYLZAYVDDAWNO-SFHVURJKSA-N 0 3 310.397 3.041 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000847022402 631383605 /nfs/dbraw/zinc/38/36/05/631383605.db2.gz HIOXLHLAJFODQT-MRXNPFEDSA-N 0 3 322.408 3.055 20 30 DGEDHN C[C@@H](C#N)OCCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000847063572 631394959 /nfs/dbraw/zinc/39/49/59/631394959.db2.gz LCGSOXQLYYLCCB-NSHDSACASA-N 0 3 314.307 3.093 20 30 DGEDHN N#CC1(COC(=O)/C=C\C2CC2)CCN(Cc2ccccc2)CC1 ZINC000847748559 631532129 /nfs/dbraw/zinc/53/21/29/631532129.db2.gz DAWVMKTVFUHBTH-HJWRWDBZSA-N 0 3 324.424 3.302 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000848398206 631653801 /nfs/dbraw/zinc/65/38/01/631653801.db2.gz RSXFBPNSRUKIIW-OAGGEKHMSA-N 0 3 307.482 3.366 20 30 DGEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848410277 631656490 /nfs/dbraw/zinc/65/64/90/631656490.db2.gz FIRBOGWPUQGNIO-INIZCTEOSA-N 0 3 302.378 3.319 20 30 DGEDHN COC(=O)c1ccc(N=NC2CCCN3CCCC[C@H]23)cc1F ZINC000848411645 631656837 /nfs/dbraw/zinc/65/68/37/631656837.db2.gz AWPGXAHLPIRZHY-MRXNPFEDSA-N 0 3 319.380 3.029 20 30 DGEDHN COC(=O)c1cc(N=NC2CCCN3CCCC[C@H]23)ccc1F ZINC000848411966 631656922 /nfs/dbraw/zinc/65/69/22/631656922.db2.gz GOGUQRVHNBIKOL-MRXNPFEDSA-N 0 3 319.380 3.029 20 30 DGEDHN C#CCCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529513 631679886 /nfs/dbraw/zinc/67/98/86/631679886.db2.gz OWMXAPRSGQDRFK-SNVBAGLBSA-N 0 3 312.207 3.227 20 30 DGEDHN CC(C)(C#N)c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000848552268 631689864 /nfs/dbraw/zinc/68/98/64/631689864.db2.gz KDOHOSQYOLFYCQ-HKUYNNGSSA-N 0 3 322.408 3.072 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)Cc1ccccn1 ZINC000848567391 631695486 /nfs/dbraw/zinc/69/54/86/631695486.db2.gz UANKIKVHKKYBDI-AWEZNQCLSA-N 0 3 314.816 3.468 20 30 DGEDHN C=CCOCCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000850377935 632132130 /nfs/dbraw/zinc/13/21/30/632132130.db2.gz PAECYAKZJSLZCJ-UHFFFAOYSA-N 0 3 319.836 3.267 20 30 DGEDHN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000850528427 632181747 /nfs/dbraw/zinc/18/17/47/632181747.db2.gz LYPGZFJBRJKXGG-AGRHKRQWSA-N 0 3 308.381 3.418 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850584626 632202351 /nfs/dbraw/zinc/20/23/51/632202351.db2.gz SFJHBAOYSRDALC-RZQQEMMASA-N 0 3 309.409 3.471 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850584625 632202439 /nfs/dbraw/zinc/20/24/39/632202439.db2.gz SFJHBAOYSRDALC-FTRWYGJKSA-N 0 3 309.409 3.471 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CC3(F)F)C2)c1 ZINC000850757700 632216740 /nfs/dbraw/zinc/21/67/40/632216740.db2.gz PACJYPQGYQZPTA-ULKWEWGCSA-N 0 3 318.323 3.078 20 30 DGEDHN N#CC(C(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)NC1CC1 ZINC000850759694 632218001 /nfs/dbraw/zinc/21/80/01/632218001.db2.gz QTHBWPAOIYVLJV-GOSISDBHSA-N 0 3 324.424 3.264 20 30 DGEDHN C[C@@H](CC#N)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850760700 632218170 /nfs/dbraw/zinc/21/81/70/632218170.db2.gz CHJPWIMKLMJIAI-UFBFGSQYSA-N 0 3 324.167 3.191 20 30 DGEDHN C=CC[C@H](NC(=O)C[C@@H]1NCc2ccccc21)c1ccncc1 ZINC000851630834 632462702 /nfs/dbraw/zinc/46/27/02/632462702.db2.gz STFOVQGEHCPHPD-ROUUACIJSA-N 0 3 307.397 3.050 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000852096676 632553210 /nfs/dbraw/zinc/55/32/10/632553210.db2.gz FGDLBJIATWZMDG-UZLBHIALSA-N 0 3 312.457 3.205 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000852098087 632553272 /nfs/dbraw/zinc/55/32/72/632553272.db2.gz FHJBCVQHVMIPHG-LJQANCHMSA-N 0 3 300.446 3.205 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000852099996 632554558 /nfs/dbraw/zinc/55/45/58/632554558.db2.gz DQCIYTZPBZYVSN-AUUYWEPGSA-N 0 3 312.413 3.344 20 30 DGEDHN C#C[C@@](C)(CC)NCc1nc2ccc(Br)cc2[nH]1 ZINC000852100260 632554751 /nfs/dbraw/zinc/55/47/51/632554751.db2.gz GPGNVNZJBSDNRX-AWEZNQCLSA-N 0 3 306.207 3.217 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000852101964 632555577 /nfs/dbraw/zinc/55/55/77/632555577.db2.gz IVDDXMMYPJEPRI-DYVFJYSZSA-N 0 3 306.837 3.251 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2scnc2C(C)(C)C)[C@@H](C)C1 ZINC000943482114 660189014 /nfs/dbraw/zinc/18/90/14/660189014.db2.gz NJFWEQPZMUVIMR-QWHCGFSZSA-N 0 3 321.490 3.067 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)[C@@H](C)C1 ZINC000943482599 660189039 /nfs/dbraw/zinc/18/90/39/660189039.db2.gz PPCAZXLDGBJQJI-RPTYLJJZSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)[C@H](C)C1 ZINC000944097344 660212101 /nfs/dbraw/zinc/21/21/01/660212101.db2.gz GYANFPXYFOTQPN-OXQOHEQNSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CCCC3)c2)[C@@H](C)C1 ZINC000944097478 660212137 /nfs/dbraw/zinc/21/21/37/660212137.db2.gz HESNJRJKEHNVHG-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](C)C1 ZINC000944170403 660213451 /nfs/dbraw/zinc/21/34/51/660213451.db2.gz SPRUNTVNYMYGDS-ZFWWWQNUSA-N 0 3 304.434 3.031 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)[C@H](C)C1 ZINC000944227357 660216135 /nfs/dbraw/zinc/21/61/35/660216135.db2.gz MUERESATCSANMS-CZUORRHYSA-N 0 3 320.383 3.088 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)[C@@H](C)C1 ZINC000944619237 660226580 /nfs/dbraw/zinc/22/65/80/660226580.db2.gz KVNVGMZGWKCTCX-KSSFIOAISA-N 0 3 323.440 3.169 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(CCC)nc2C)[C@H](C)C1 ZINC000944907138 660235618 /nfs/dbraw/zinc/23/56/18/660235618.db2.gz KERZMCVOWGGLAV-OCCSQVGLSA-N 0 3 321.490 3.030 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000945063873 660239492 /nfs/dbraw/zinc/23/94/92/660239492.db2.gz WLVFHLPLJCEIAO-BEFAXECRSA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3cccc(C)c3o2)[C@H](C)C1 ZINC000945180785 660243026 /nfs/dbraw/zinc/24/30/26/660243026.db2.gz LOZRTQKHCUCAAD-GDBMZVCRSA-N 0 3 312.413 3.367 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000945336633 660249986 /nfs/dbraw/zinc/24/99/86/660249986.db2.gz UKYLXBUIJWBIKZ-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCC(C)(C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000185956846 660256370 /nfs/dbraw/zinc/25/63/70/660256370.db2.gz PUHREABNEDVYHK-SFHVURJKSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(NCc2nc(C)sc2C)CC1 ZINC000996877163 660297215 /nfs/dbraw/zinc/29/72/15/660297215.db2.gz MPFDCZDEIMNPBR-UHFFFAOYSA-N 0 3 321.490 3.053 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000997234818 660315878 /nfs/dbraw/zinc/31/58/78/660315878.db2.gz HHVWDBVMGJPUAK-OQIJWPOYSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C(C)C)s2)CC1 ZINC000997439323 660324384 /nfs/dbraw/zinc/32/43/84/660324384.db2.gz NWXJVUMRHPHIJU-CQSZACIVSA-N 0 3 318.486 3.335 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(CF)cc2)CC1 ZINC000997439714 660325511 /nfs/dbraw/zinc/32/55/11/660325511.db2.gz QHIAHWQACLYJQH-OAHLLOKOSA-N 0 3 316.420 3.010 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2=CCCCCC2)CC1 ZINC000997552277 660332444 /nfs/dbraw/zinc/33/24/44/660332444.db2.gz DCNIEMIXQRAKMA-INIZCTEOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(CC)s2)CC1 ZINC000997663517 660337684 /nfs/dbraw/zinc/33/76/84/660337684.db2.gz OTQOVVDJRTUNIP-AWEZNQCLSA-N 0 3 318.486 3.164 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CCC2)CCC1 ZINC001032545211 660342081 /nfs/dbraw/zinc/34/20/81/660342081.db2.gz CWAUEINVSJERLT-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(Cl)cs2)CC1 ZINC000997785720 660344441 /nfs/dbraw/zinc/34/44/41/660344441.db2.gz BDKSEOXGBHQPQN-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000948608411 660338203 /nfs/dbraw/zinc/33/82/03/660338203.db2.gz PKZVAHCDJOZJQS-GVDBMIGSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001032535758 660339634 /nfs/dbraw/zinc/33/96/34/660339634.db2.gz XDJRMLZJHXZLKZ-FYQPLNBISA-N 0 3 324.468 3.117 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032557420 660346454 /nfs/dbraw/zinc/34/64/54/660346454.db2.gz IYOZLXQHIPGYBF-HOTGVXAUSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(Cl)cc1C ZINC001032560403 660348401 /nfs/dbraw/zinc/34/84/01/660348401.db2.gz WUKBWKKZYVDHGO-GJZGRUSLSA-N 0 3 318.848 3.432 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(C3CC3)c2)CC1 ZINC000997877051 660348466 /nfs/dbraw/zinc/34/84/66/660348466.db2.gz YXKVTCZCCVWLFQ-HNNXBMFYSA-N 0 3 310.441 3.028 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cscc2Cl)CC1 ZINC000998043099 660365929 /nfs/dbraw/zinc/36/59/29/660365929.db2.gz WQGZZBXUTUMHEL-ZDUSSCGKSA-N 0 3 324.877 3.351 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000998129403 660371709 /nfs/dbraw/zinc/37/17/09/660371709.db2.gz HVPRXGLRFCJZSX-CEXWTWQISA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2csc(Cl)c2)CC1 ZINC000998133887 660371921 /nfs/dbraw/zinc/37/19/21/660371921.db2.gz HMGALSGPRSLEDR-AWEZNQCLSA-N 0 3 324.877 3.351 20 30 DGEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2cc(C3CC3)no2)CC1 ZINC000998134083 660372046 /nfs/dbraw/zinc/37/20/46/660372046.db2.gz IHIJQAOQSMJXMF-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(Cl)cs2)CC1 ZINC000998137394 660372397 /nfs/dbraw/zinc/37/23/97/660372397.db2.gz YYKRGROLPLNGQL-AWEZNQCLSA-N 0 3 324.877 3.351 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CC1 ZINC001032606690 660375167 /nfs/dbraw/zinc/37/51/67/660375167.db2.gz YVWYWSLEFVKRAJ-ROUUACIJSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2ocnc2C2CC2)CC1 ZINC000998114791 660370714 /nfs/dbraw/zinc/37/07/14/660370714.db2.gz GGKXWAVTWLCBQL-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)CC[C@@H]2C1 ZINC000946499416 660379563 /nfs/dbraw/zinc/37/95/63/660379563.db2.gz JRDOMWCOPASHII-SXBYPRPXSA-N 0 3 322.880 3.266 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)C2(CC)CC2)CC[C@H]1C(F)(F)F ZINC000998283043 660380932 /nfs/dbraw/zinc/38/09/32/660380932.db2.gz BVUOATKUWQGHDX-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C1CCC1)C1CCC1 ZINC001032632381 660385663 /nfs/dbraw/zinc/38/56/63/660385663.db2.gz YWESZJRWBQMKES-ROUUACIJSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC000998876447 660401165 /nfs/dbraw/zinc/40/11/65/660401165.db2.gz IGYYZKCXXPLDQP-HIFPTAJRSA-N 0 3 320.811 3.143 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc3occc3s2)C1 ZINC000999384744 660417358 /nfs/dbraw/zinc/41/73/58/660417358.db2.gz ICLWKIXFGQJJBV-UHFFFAOYSA-N 0 3 324.833 3.439 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC000999476477 660419532 /nfs/dbraw/zinc/41/95/32/660419532.db2.gz HUKONAVBUWDVQK-YMAMQOFZSA-N 0 3 310.800 3.029 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC000999868029 660430020 /nfs/dbraw/zinc/43/00/20/660430020.db2.gz RZMJHKHEADJQGJ-DQPZFDDXSA-N 0 3 310.869 3.454 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC000999744447 660426981 /nfs/dbraw/zinc/42/69/81/660426981.db2.gz DZJVZIDMYCTTAS-UHFFFAOYSA-N 0 3 306.837 3.249 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC000999877417 660430294 /nfs/dbraw/zinc/43/02/94/660430294.db2.gz TVSOXXIMOSRHBT-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001032722342 660434030 /nfs/dbraw/zinc/43/40/30/660434030.db2.gz SNTHEPHFTYTUTA-AVGNSLFASA-N 0 3 324.877 3.366 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001032746243 660437638 /nfs/dbraw/zinc/43/76/38/660437638.db2.gz IFFFXMSTSOTPSS-HOTGVXAUSA-N 0 3 304.821 3.205 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1CC ZINC001032786802 660445035 /nfs/dbraw/zinc/44/50/35/660445035.db2.gz SGWXEUIJUDUDIE-GJZGRUSLSA-N 0 3 321.852 3.026 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sc(CCC)nc2C)C1 ZINC001016239119 660450954 /nfs/dbraw/zinc/45/09/54/660450954.db2.gz HZPWQLOBHKZADP-CQSZACIVSA-N 0 3 321.490 3.174 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2ccc(C)c(C)c2Cl)CC1 ZINC001002038513 660462784 /nfs/dbraw/zinc/46/27/84/660462784.db2.gz BYTVNPDJOFPPHC-UHFFFAOYSA-N 0 3 318.848 3.032 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(C)CCC(C)CC3)C2)C1 ZINC001040544871 660473274 /nfs/dbraw/zinc/47/32/74/660473274.db2.gz LPPOQHCAJXHBFF-UUKMXZOPSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001016347983 660481814 /nfs/dbraw/zinc/48/18/14/660481814.db2.gz LUQVXMPIVRYUCD-CYBMUJFWSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2O[C@@H](C)CC)CC1 ZINC001003715463 660501180 /nfs/dbraw/zinc/50/11/80/660501180.db2.gz ONJGCMIEXAUIGE-HNNXBMFYSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2C)C1 ZINC001033097720 660538651 /nfs/dbraw/zinc/53/86/51/660538651.db2.gz WLHWQJNMVGNTEK-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001004343562 660544911 /nfs/dbraw/zinc/54/49/11/660544911.db2.gz BZOVXOIXZGQSGV-BBRMVZONSA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)oc3ccccc32)C1 ZINC001033112374 660547752 /nfs/dbraw/zinc/54/77/52/660547752.db2.gz QUBXTHQNMRJHMS-OAHLLOKOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001004506967 660554067 /nfs/dbraw/zinc/55/40/67/660554067.db2.gz MMLAMRBZUZFYOR-DAXOMENPSA-N 0 3 310.869 3.098 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001033147966 660557184 /nfs/dbraw/zinc/55/71/84/660557184.db2.gz ADHZONFUEWLWOU-OIAUPDTQSA-N 0 3 316.489 3.168 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C(C)(C)C)CC1 ZINC001004597977 660559622 /nfs/dbraw/zinc/55/96/22/660559622.db2.gz BIUHOLIRAILIEF-OAHLLOKOSA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3(C)CC=CC3)CC[C@@H]2C1 ZINC000946758105 660586481 /nfs/dbraw/zinc/58/64/81/660586481.db2.gz BESBHYCFZGVZEC-IYBDPMFKSA-N 0 3 322.880 3.266 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CC(c3ccccc3)C2)C1 ZINC001033209128 660589991 /nfs/dbraw/zinc/58/99/91/660589991.db2.gz XLWXRGPCMKIIQY-NKELODKYSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2CC)C1 ZINC001033225767 660593226 /nfs/dbraw/zinc/59/32/26/660593226.db2.gz KSZGANWVNOPFTD-MRXNPFEDSA-N 0 3 304.409 3.111 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001033312182 660606671 /nfs/dbraw/zinc/60/66/71/660606671.db2.gz NDYGCWVVICICBI-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001033312246 660606765 /nfs/dbraw/zinc/60/67/65/660606765.db2.gz BFLQZUTWXUZXFX-HNNXBMFYSA-N 0 3 315.392 3.029 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)cc2)C1 ZINC001033508741 660628070 /nfs/dbraw/zinc/62/80/70/660628070.db2.gz NVGSOLOCJDBTAK-OAHLLOKOSA-N 0 3 308.372 3.347 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)s2)C1 ZINC001033585054 660636056 /nfs/dbraw/zinc/63/60/56/660636056.db2.gz GRKISPJALICKJW-AWEZNQCLSA-N 0 3 304.459 3.348 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001033603906 660637384 /nfs/dbraw/zinc/63/73/84/660637384.db2.gz XAWXHEQLUXLGPS-OALUTQOASA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033620895 660640488 /nfs/dbraw/zinc/64/04/88/660640488.db2.gz HLPKFXKXFSZRHQ-OAHLLOKOSA-N 0 3 306.475 3.016 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001033696539 660651068 /nfs/dbraw/zinc/65/10/68/660651068.db2.gz VJYVRJQKRIBJSJ-CJNGLKHVSA-N 0 3 318.848 3.089 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033725137 660656264 /nfs/dbraw/zinc/65/62/64/660656264.db2.gz VHZHRZOLNPJUQF-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033834579 660667651 /nfs/dbraw/zinc/66/76/51/660667651.db2.gz QVGBZKWMNARMGR-YESZJQIVSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)cc(Cl)c2)C1 ZINC001033902538 660676502 /nfs/dbraw/zinc/67/65/02/660676502.db2.gz KNISPMIVXCUXSI-KRWDZBQOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033874935 660673028 /nfs/dbraw/zinc/67/30/28/660673028.db2.gz LWUWZAUXYOTZKD-CQSZACIVSA-N 0 3 322.474 3.007 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033873554 660673752 /nfs/dbraw/zinc/67/37/52/660673752.db2.gz QGLBVDQVZKHHOE-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(F)c2C)CC1 ZINC001005420324 660673953 /nfs/dbraw/zinc/67/39/53/660673953.db2.gz AMPOYMMXGCUOJE-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033890893 660674198 /nfs/dbraw/zinc/67/41/98/660674198.db2.gz UTGYCSCEDYAPIY-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033895301 660676861 /nfs/dbraw/zinc/67/68/61/660676861.db2.gz PVLFOCNJYKGWMX-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033889307 660674297 /nfs/dbraw/zinc/67/42/97/660674297.db2.gz WYYANJGGNZMQDA-KRWDZBQOSA-N 0 3 317.477 3.237 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccn(C(C)C)c2C)C1 ZINC001033930826 660680403 /nfs/dbraw/zinc/68/04/03/660680403.db2.gz BJCWPXHNRQHVHN-QGZVFWFLSA-N 0 3 317.477 3.490 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033957506 660683850 /nfs/dbraw/zinc/68/38/50/660683850.db2.gz KVQNQPIQNKCOAM-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2F)C1 ZINC001033963513 660688211 /nfs/dbraw/zinc/68/82/11/660688211.db2.gz ATCSWONEPXEETD-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001034048182 660701857 /nfs/dbraw/zinc/70/18/57/660701857.db2.gz WYIOXOVDUQBGPM-OAHLLOKOSA-N 0 3 311.429 3.199 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001034049898 660702016 /nfs/dbraw/zinc/70/20/16/660702016.db2.gz XFJVDPYNJDLOFO-KRWDZBQOSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3cnccc3c2)C1 ZINC001034007812 660695684 /nfs/dbraw/zinc/69/56/84/660695684.db2.gz SZTZAZLHMQNSSE-IBGZPJMESA-N 0 3 323.440 3.347 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@H](NC(=O)C3=CCCC3)C2)cc1 ZINC001034158148 660717719 /nfs/dbraw/zinc/71/77/19/660717719.db2.gz FVEGWOHSKCMCPA-IBGZPJMESA-N 0 3 323.440 3.139 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228600 660725697 /nfs/dbraw/zinc/72/56/97/660725697.db2.gz GKQILCNLCQPVHN-CVEARBPZSA-N 0 3 318.465 3.015 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001034238484 660728124 /nfs/dbraw/zinc/72/81/24/660728124.db2.gz IWGGLVYDEAKSLG-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001034294296 660733075 /nfs/dbraw/zinc/73/30/75/660733075.db2.gz VXXUCGWBRVAQFM-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001034292608 660733363 /nfs/dbraw/zinc/73/33/63/660733363.db2.gz GYMYVTVQTOVQJF-GOSISDBHSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001034307206 660735180 /nfs/dbraw/zinc/73/51/80/660735180.db2.gz LTYLNDUYCDSRSU-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001034327209 660737539 /nfs/dbraw/zinc/73/75/39/660737539.db2.gz XMAOSZIQBJAFKS-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001034347403 660741073 /nfs/dbraw/zinc/74/10/73/660741073.db2.gz YPQYHBQAVQOHSQ-AWEZNQCLSA-N 0 3 306.475 3.182 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001034373473 660742778 /nfs/dbraw/zinc/74/27/78/660742778.db2.gz SOPLSHGZMFQOCB-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001034359858 660743455 /nfs/dbraw/zinc/74/34/55/660743455.db2.gz JWLOBQUYAFWUEA-OAHLLOKOSA-N 0 3 303.450 3.299 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001034377166 660745107 /nfs/dbraw/zinc/74/51/07/660745107.db2.gz IRLCPEXHWJPDBA-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001034407175 660746752 /nfs/dbraw/zinc/74/67/52/660746752.db2.gz RCXDXJYBWIYFNA-INIZCTEOSA-N 0 3 313.445 3.038 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001034399796 660747478 /nfs/dbraw/zinc/74/74/78/660747478.db2.gz VDDHMVAOOSNINE-HNNXBMFYSA-N 0 3 301.434 3.053 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001034423029 660748161 /nfs/dbraw/zinc/74/81/61/660748161.db2.gz GAYNYXIEUGSJOO-BDXSIMOUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001034448250 660752584 /nfs/dbraw/zinc/75/25/84/660752584.db2.gz OFLIEWBSVUORAP-CABCVRRESA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001034436637 660753925 /nfs/dbraw/zinc/75/39/25/660753925.db2.gz ZZBDAOXUKXSDKK-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001034478579 660757064 /nfs/dbraw/zinc/75/70/64/660757064.db2.gz MDJKGQLSXOXVIH-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001034492938 660758934 /nfs/dbraw/zinc/75/89/34/660758934.db2.gz DEHVLAJDNYJNOG-HNNXBMFYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001034489816 660759150 /nfs/dbraw/zinc/75/91/50/660759150.db2.gz DUTKVHUJIHCRMY-KRWDZBQOSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001034484230 660761429 /nfs/dbraw/zinc/76/14/29/660761429.db2.gz KTJIUHNSOBIQLQ-OAHLLOKOSA-N 0 3 304.434 3.393 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001034487219 660761781 /nfs/dbraw/zinc/76/17/81/660761781.db2.gz MZCMYULUZWRKON-MRXNPFEDSA-N 0 3 316.445 3.012 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001034515759 660765420 /nfs/dbraw/zinc/76/54/20/660765420.db2.gz UPNUPVQTAGPMHF-MRXNPFEDSA-N 0 3 310.397 3.040 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034500431 660766372 /nfs/dbraw/zinc/76/63/72/660766372.db2.gz LEJZMOKUFSYNDR-CYBMUJFWSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC001034537152 660767520 /nfs/dbraw/zinc/76/75/20/660767520.db2.gz GFCDNUMAWVJQFB-MRXNPFEDSA-N 0 3 303.450 3.229 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034520748 660768099 /nfs/dbraw/zinc/76/80/99/660768099.db2.gz XXJLSBMKGJYWNX-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034522261 660768647 /nfs/dbraw/zinc/76/86/47/660768647.db2.gz UOTWFFOPWJEYKI-MRXNPFEDSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001034536419 660769350 /nfs/dbraw/zinc/76/93/50/660769350.db2.gz FZSPMVDZVZGIKL-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034540281 660770002 /nfs/dbraw/zinc/77/00/02/660770002.db2.gz FXSYNFHSXLEPIC-ZGUYJTEBSA-N 0 3 304.478 3.360 20 30 DGEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)C2=CCCC2)CC1 ZINC001034621250 660778104 /nfs/dbraw/zinc/77/81/04/660778104.db2.gz ALFVNCLXXITTDC-WGSAOQKQSA-N 0 3 323.440 3.186 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC001005681228 660788319 /nfs/dbraw/zinc/78/83/19/660788319.db2.gz TZWDIBXBICQGHV-IRXDYDNUSA-N 0 3 304.478 3.334 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C)c(OC)c2)CC1 ZINC001005681332 660788386 /nfs/dbraw/zinc/78/83/86/660788386.db2.gz XWOKCGIUAGSMPK-UHFFFAOYSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC001005683494 660789009 /nfs/dbraw/zinc/78/90/09/660789009.db2.gz DXGHKUIKZIAFKK-UHFFFAOYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC001005770101 660813193 /nfs/dbraw/zinc/81/31/93/660813193.db2.gz QXCAFQNEYZWUMP-ROUUACIJSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2cc3ccccc3o2)CC1 ZINC001005797720 660838657 /nfs/dbraw/zinc/83/86/57/660838657.db2.gz BMUVWNHDCZVSAT-UHFFFAOYSA-N 0 3 312.413 3.084 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1CCCCC1)CC2 ZINC001035649686 660841283 /nfs/dbraw/zinc/84/12/83/660841283.db2.gz YEBOWVIVQFCPKL-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CCCCCC1)CC2 ZINC001035667453 660844874 /nfs/dbraw/zinc/84/48/74/660844874.db2.gz HVONRIDDBAONIB-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@H]1C)CC2 ZINC001035786758 660851653 /nfs/dbraw/zinc/85/16/53/660851653.db2.gz DDTZFWUTSGHEEM-AEFFLSMTSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]1CC)CC2 ZINC001035787697 660852119 /nfs/dbraw/zinc/85/21/19/660852119.db2.gz RUXJMEUABXNGLL-IAGOWNOFSA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C(CC)(CC)CC)CC2 ZINC001035829451 660856475 /nfs/dbraw/zinc/85/64/75/660856475.db2.gz RKVRCWCCUPARFU-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)CC2 ZINC001035829941 660856481 /nfs/dbraw/zinc/85/64/81/660856481.db2.gz KAFXTTLHRMKZST-SJLPKXTDSA-N 0 3 304.478 3.169 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccc(C)cc1)CC2 ZINC001035838685 660857760 /nfs/dbraw/zinc/85/77/60/660857760.db2.gz ZISUQJZFIPLHIZ-SFHVURJKSA-N 0 3 324.468 3.046 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(F)s1)CC2 ZINC001035860110 660860747 /nfs/dbraw/zinc/86/07/47/660860747.db2.gz RJNPKGICPNLMJD-UHFFFAOYSA-N 0 3 308.422 3.001 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccn(C(C)C)c2C)CC1 ZINC001005870210 660945249 /nfs/dbraw/zinc/94/52/49/660945249.db2.gz FWZXKAKHAXZQDQ-UHFFFAOYSA-N 0 3 303.450 3.100 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)cc2C)CC1 ZINC001005921928 660949664 /nfs/dbraw/zinc/94/96/64/660949664.db2.gz DCXMIFLSVCGDER-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001006102509 660963664 /nfs/dbraw/zinc/96/36/64/660963664.db2.gz HKSLTZQEXZLVKA-UHFFFAOYSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccccc2Cl)CC1 ZINC001006324300 660974952 /nfs/dbraw/zinc/97/49/52/660974952.db2.gz NGIPFNDOSMWEPD-UHFFFAOYSA-N 0 3 306.837 3.453 20 30 DGEDHN CCCCCCCCCN(C)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792863048 660989863 /nfs/dbraw/zinc/98/98/63/660989863.db2.gz QSFPLBRWASPOHP-INIZCTEOSA-N 0 3 303.512 3.494 20 30 DGEDHN COc1ccc(N=NC2CN(C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000793097688 661004735 /nfs/dbraw/zinc/00/47/35/661004735.db2.gz GFZWZSDYISMADR-VIFPVBQESA-N 0 3 301.312 3.063 20 30 DGEDHN CC1(C)CC(N=Nc2ncncc2F)CN1Cc1ccccc1 ZINC000793226614 661015012 /nfs/dbraw/zinc/01/50/12/661015012.db2.gz VKFUDKSFZRCANS-UHFFFAOYSA-N 0 3 313.380 3.068 20 30 DGEDHN COc1ccc(C(C)=NOCCSC)cc1CN1CCCC1 ZINC000794574765 661092362 /nfs/dbraw/zinc/09/23/62/661092362.db2.gz OSAZWUJMEJIELD-UHFFFAOYSA-N 0 3 322.474 3.395 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ncccc1Cl ZINC000969123873 655525896 /nfs/dbraw/zinc/52/58/96/655525896.db2.gz AQLLIECHJVDFBX-AWEZNQCLSA-N 0 3 321.852 3.286 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1OCC ZINC000969133411 655526891 /nfs/dbraw/zinc/52/68/91/655526891.db2.gz LPMHUZQTTHMZCB-MRXNPFEDSA-N 0 3 316.445 3.246 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC000969140061 655527288 /nfs/dbraw/zinc/52/72/88/655527288.db2.gz WFKKHUIYFRIQFV-MRXNPFEDSA-N 0 3 318.486 3.363 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000969139096 655527470 /nfs/dbraw/zinc/52/74/70/655527470.db2.gz IFLSVWORCKBFKK-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC000969136128 655527636 /nfs/dbraw/zinc/52/76/36/655527636.db2.gz KEXCZRARVNZZJM-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC000969142212 655527981 /nfs/dbraw/zinc/52/79/81/655527981.db2.gz YTHKQSOLQQVZQO-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000969587885 655551709 /nfs/dbraw/zinc/55/17/09/655551709.db2.gz YSLKSQFVPKRNBQ-CYBMUJFWSA-N 0 3 324.827 3.382 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC000969791207 655557678 /nfs/dbraw/zinc/55/76/78/655557678.db2.gz BEVDWHHPZZPFNV-HNNXBMFYSA-N 0 3 300.446 3.436 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(F)c3ccccc3c2)C1 ZINC000969803166 655558135 /nfs/dbraw/zinc/55/81/35/655558135.db2.gz GCYBAFWMDVBDLK-AWEZNQCLSA-N 0 3 324.399 3.052 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC000969969616 655565823 /nfs/dbraw/zinc/56/58/23/655565823.db2.gz OKTIPDBZWWPWOG-KXBFYZLASA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC001039116689 655581593 /nfs/dbraw/zinc/58/15/93/655581593.db2.gz ORVMPDTWPIDTCQ-WMLDXEAASA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001039120544 655582751 /nfs/dbraw/zinc/58/27/51/655582751.db2.gz BCFUGPZYZGVOBF-JILDMTJUSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)cc(F)cc2C)C1 ZINC000970261633 655590887 /nfs/dbraw/zinc/59/08/87/655590887.db2.gz LPXGEBOXAGZVIX-AWEZNQCLSA-N 0 3 304.409 3.069 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000970481102 655602143 /nfs/dbraw/zinc/60/21/43/655602143.db2.gz DWKZGUDLHVQHIS-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC000970690368 655613120 /nfs/dbraw/zinc/61/31/20/655613120.db2.gz NSNIPZHWUQZPJT-HNNXBMFYSA-N 0 3 300.446 3.436 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccsc2)C1 ZINC001039206058 655613881 /nfs/dbraw/zinc/61/38/81/655613881.db2.gz DQXJQHOKCWSJFD-WBVHZDCISA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC2(C)CCCC2)C1 ZINC001039222032 655625330 /nfs/dbraw/zinc/62/53/30/655625330.db2.gz YZVGEJCIFVZNED-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccsc2C)C1 ZINC001021579958 655636337 /nfs/dbraw/zinc/63/63/37/655636337.db2.gz YLMMHKQDYMGANR-RDJZCZTQSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000970953670 655642331 /nfs/dbraw/zinc/64/23/31/655642331.db2.gz HYIXQCMZENJZCP-YCMKEVRSSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)(C)C)C[C@@H]1C ZINC000947429711 655660094 /nfs/dbraw/zinc/66/00/94/655660094.db2.gz KTOKAMCGYOIMMV-JKSUJKDBSA-N 0 3 312.457 3.200 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCC2CCCCC2)C1 ZINC001021726222 655664653 /nfs/dbraw/zinc/66/46/53/655664653.db2.gz ZVBHYBRAKQKZPH-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CCC=CCC2)C1 ZINC001021742760 655669154 /nfs/dbraw/zinc/66/91/54/655669154.db2.gz NFMPEDWLBIPMRO-RTBURBONSA-N 0 3 314.473 3.069 20 30 DGEDHN CO[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000795808777 661173747 /nfs/dbraw/zinc/17/37/47/661173747.db2.gz BFCVIXCVYLHAOJ-GJZGRUSLSA-N 0 3 312.335 3.493 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2SC)CCC1 ZINC000933304769 655698998 /nfs/dbraw/zinc/69/89/98/655698998.db2.gz RGYKMCFYGUONFM-ZDUSSCGKSA-N 0 3 302.443 3.271 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC000971551412 655704501 /nfs/dbraw/zinc/70/45/01/655704501.db2.gz IXJNYCYZIXWZHB-LLVKDONJSA-N 0 3 312.335 3.096 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cscc2C(F)F)C1 ZINC001022091547 655709917 /nfs/dbraw/zinc/70/99/17/655709917.db2.gz DWSJNZOHNTYVAY-DTORHVGOSA-N 0 3 320.792 3.289 20 30 DGEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1Cl ZINC001039431759 655720585 /nfs/dbraw/zinc/72/05/85/655720585.db2.gz RJHOGCUYVZPAIG-OLZOCXBDSA-N 0 3 308.809 3.188 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051322694 655727979 /nfs/dbraw/zinc/72/79/79/655727979.db2.gz COXWYEMHTLBSKF-QGZVFWFLSA-N 0 3 302.324 3.002 20 30 DGEDHN N#CC1(CCCCN2CCOC[C@@H]2C[C@H]2CCCO2)CCC1 ZINC000933688445 655730418 /nfs/dbraw/zinc/73/04/18/655730418.db2.gz KFGYYNWHFCNEFX-DLBZAZTESA-N 0 3 306.450 3.120 20 30 DGEDHN N#Cc1ccccc1/C=C/C(=O)N1CCN(C2CCCCC2)CC1 ZINC000178416175 655738965 /nfs/dbraw/zinc/73/89/65/655738965.db2.gz QNKCIDRQHKTDKR-ZHACJKMWSA-N 0 3 323.440 3.048 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000971863284 655739100 /nfs/dbraw/zinc/73/91/00/655739100.db2.gz KDPPDYAMBQDLME-SFHVURJKSA-N 0 3 300.446 3.071 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2cc3ccccc3o2)C1 ZINC000971904988 655745420 /nfs/dbraw/zinc/74/54/20/655745420.db2.gz SGNHQJOSYSJROZ-INIZCTEOSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2ccc(C(C)C)cc2)C1 ZINC000971930077 655748764 /nfs/dbraw/zinc/74/87/64/655748764.db2.gz ZPGNPKVTKIWQSY-IBGZPJMESA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000972074888 655762468 /nfs/dbraw/zinc/76/24/68/655762468.db2.gz GCQNTNKCDKLAMW-HNNXBMFYSA-N 0 3 311.429 3.117 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)CCc2ccccc2F)C1 ZINC000972083351 655763767 /nfs/dbraw/zinc/76/37/67/655763767.db2.gz XRPGFRKXSPWUQJ-INIZCTEOSA-N 0 3 318.436 3.113 20 30 DGEDHN CC(=O)[C@](C#N)(CCN1CCCSC[C@H]1C)c1ccccc1 ZINC000934297045 655765135 /nfs/dbraw/zinc/76/51/35/655765135.db2.gz XXJZHQACZVVHHT-CRAIPNDOSA-N 0 3 316.470 3.254 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@H](Cc2nccs2)C1 ZINC000934334468 655768630 /nfs/dbraw/zinc/76/86/30/655768630.db2.gz VQCZSHGROBXQFE-CQSZACIVSA-N 0 3 313.426 3.088 20 30 DGEDHN C=CCN(CC=C)Cc1cc(Br)cc(OC)c1O ZINC000158121380 655773944 /nfs/dbraw/zinc/77/39/44/655773944.db2.gz FFQZCEDQINCAAR-UHFFFAOYSA-N 0 3 312.207 3.337 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000972227907 655780986 /nfs/dbraw/zinc/78/09/86/655780986.db2.gz OOLITLNCAMOSBN-CJNGLKHVSA-N 0 3 306.837 3.162 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001022763925 655782153 /nfs/dbraw/zinc/78/21/53/655782153.db2.gz BENFNCMWZNOSDX-BETUJISGSA-N 0 3 317.191 3.082 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC000972310446 655787486 /nfs/dbraw/zinc/78/74/86/655787486.db2.gz FMRITMSTLLVSJT-LPHOPBHVSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3cccnc32)C[C@@H]1C ZINC000947510512 655791612 /nfs/dbraw/zinc/79/16/12/655791612.db2.gz LXCYAMTVAZPJMJ-GOEBONIOSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000972386504 655792896 /nfs/dbraw/zinc/79/28/96/655792896.db2.gz PPIAHLPJQDGRCC-MRXNPFEDSA-N 0 3 310.397 3.279 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)C[C@H]1C ZINC000947519957 655798967 /nfs/dbraw/zinc/79/89/67/655798967.db2.gz KADIACZHIHRSOB-OCCSQVGLSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C[C@H]1C ZINC000947520375 655799389 /nfs/dbraw/zinc/79/93/89/655799389.db2.gz NYLSGXOMGAAUDB-OCCSQVGLSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001023055301 655811221 /nfs/dbraw/zinc/81/12/21/655811221.db2.gz ZAEHURSFDOAMAW-TXEJJXNPSA-N 0 3 310.850 3.228 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001023070247 655811643 /nfs/dbraw/zinc/81/16/43/655811643.db2.gz WIQBXDBDNIJFBD-GASCZTMLSA-N 0 3 323.868 3.289 20 30 DGEDHN C#CCOc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000156315751 655812492 /nfs/dbraw/zinc/81/24/92/655812492.db2.gz OBDMZSFFYSKMHC-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000947546099 655821835 /nfs/dbraw/zinc/82/18/35/655821835.db2.gz BFZBTLDGYVSPQK-BBRMVZONSA-N 0 3 306.837 3.417 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(CCC)s2)C1 ZINC001023396231 655831444 /nfs/dbraw/zinc/83/14/44/655831444.db2.gz PZFZATKLJYLGJI-OAHLLOKOSA-N 0 3 318.486 3.166 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2OCC(C)C)C1 ZINC000972565164 655833418 /nfs/dbraw/zinc/83/34/18/655833418.db2.gz JSDGEHVVEWDNNB-INIZCTEOSA-N 0 3 316.445 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001023451622 655835238 /nfs/dbraw/zinc/83/52/38/655835238.db2.gz RKMCZIWMJUHONR-MISYRCLQSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3occc3s2)C1 ZINC001023585427 655845242 /nfs/dbraw/zinc/84/52/42/655845242.db2.gz DHBLVSFXOXMKCE-GFCCVEGCSA-N 0 3 304.415 3.122 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C3CCC3)cc2)C[C@@H]1C ZINC000947579393 655849872 /nfs/dbraw/zinc/84/98/72/655849872.db2.gz APKNGFORQVOHQF-OXJNMPFZSA-N 0 3 324.468 3.099 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(C)c2Cl)C1 ZINC001023652736 655852961 /nfs/dbraw/zinc/85/29/61/655852961.db2.gz NMTXUHVVXJDOPK-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(CC)c(C)s2)C1 ZINC001023736597 655860072 /nfs/dbraw/zinc/86/00/72/655860072.db2.gz GMCDNEGDDPBKRN-HNNXBMFYSA-N 0 3 318.486 3.084 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001023736809 655860510 /nfs/dbraw/zinc/86/05/10/655860510.db2.gz JLDGAEZFJDATAH-JLAWEPINSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001023740550 655860966 /nfs/dbraw/zinc/86/09/66/655860966.db2.gz JOQAPQUPNFUSRZ-OAHLLOKOSA-N 0 3 318.486 3.084 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC000972714491 655872893 /nfs/dbraw/zinc/87/28/93/655872893.db2.gz UMIMUXLTLULTIH-MRXNPFEDSA-N 0 3 309.413 3.014 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2oc3ccccc3c2Cl)C1 ZINC000972716685 655873319 /nfs/dbraw/zinc/87/33/19/655873319.db2.gz BYQSSDVWTVUFQR-LBPRGKRZSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000972770037 655879657 /nfs/dbraw/zinc/87/96/57/655879657.db2.gz MVCBGKQURAZEBV-ZWKOTPCHSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001024090885 655884169 /nfs/dbraw/zinc/88/41/69/655884169.db2.gz SMXOEBMDORJMLG-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024472365 655908823 /nfs/dbraw/zinc/90/88/23/655908823.db2.gz SBKUEWGUMPOASB-HNNXBMFYSA-N 0 3 301.434 3.053 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cscc1Cl ZINC001024497565 655911044 /nfs/dbraw/zinc/91/10/44/655911044.db2.gz MASONRGOEXLZRE-LBPRGKRZSA-N 0 3 310.850 3.009 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001024540398 655914791 /nfs/dbraw/zinc/91/47/91/655914791.db2.gz DKFBWSRNUQZSED-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001024541220 655914964 /nfs/dbraw/zinc/91/49/64/655914964.db2.gz ZHUXUIPFKQLGFP-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2CC=C(C)C)cc1 ZINC001024587441 655920831 /nfs/dbraw/zinc/92/08/31/655920831.db2.gz ICHOSKPJFHSWTF-LJQANCHMSA-N 0 3 310.441 3.218 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001024591968 655921793 /nfs/dbraw/zinc/92/17/93/655921793.db2.gz KJZRMFMUEMEUBR-QGZVFWFLSA-N 0 3 323.440 3.084 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001024673850 655928592 /nfs/dbraw/zinc/92/85/92/655928592.db2.gz PKEVHRDKJWULHT-OAHLLOKOSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001024691653 655930968 /nfs/dbraw/zinc/93/09/68/655930968.db2.gz YNRVCDVXJHMVQJ-CQSZACIVSA-N 0 3 322.474 3.226 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001024697293 655931429 /nfs/dbraw/zinc/93/14/29/655931429.db2.gz UVPJZMNPYIYYNG-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024697442 655931583 /nfs/dbraw/zinc/93/15/83/655931583.db2.gz ZFBMNRKBBCYJDY-QRVBRYPASA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001024745071 655934709 /nfs/dbraw/zinc/93/47/09/655934709.db2.gz NECIEYZETATXJR-LJQANCHMSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001024773416 655937252 /nfs/dbraw/zinc/93/72/52/655937252.db2.gz FNWXYMBDBLHPDN-ZDUSSCGKSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001024781256 655938624 /nfs/dbraw/zinc/93/86/24/655938624.db2.gz OPPIMRNCSSOMIV-GFCCVEGCSA-N 0 3 312.360 3.378 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001024793760 655939691 /nfs/dbraw/zinc/93/96/91/655939691.db2.gz BIXULFDXAXCNRB-IBGZPJMESA-N 0 3 312.457 3.336 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001024790796 655939923 /nfs/dbraw/zinc/93/99/23/655939923.db2.gz QBSHHRQTYGTPDI-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001025037733 655957976 /nfs/dbraw/zinc/95/79/76/655957976.db2.gz MUUHHYZIYUUGDK-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C#C[C@H](CC)NCc1ccc(Br)c2cccnc12 ZINC000229895463 655961927 /nfs/dbraw/zinc/96/19/27/655961927.db2.gz KVVRSIAYPYRFID-GFCCVEGCSA-N 0 3 303.203 3.499 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025198369 655977764 /nfs/dbraw/zinc/97/77/64/655977764.db2.gz OSDYOBFWXBOQPS-JKSUJKDBSA-N 0 3 302.418 3.233 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(CC)CC ZINC001025204463 655977834 /nfs/dbraw/zinc/97/78/34/655977834.db2.gz OWETYYXNVFVEEZ-QZTJIDSGSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201278 655978028 /nfs/dbraw/zinc/97/80/28/655978028.db2.gz KXXZHFRZMZNKOK-DLBZAZTESA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025214272 655979443 /nfs/dbraw/zinc/97/94/43/655979443.db2.gz XNKIOIITTGKUPO-HOTGVXAUSA-N 0 3 320.477 3.023 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001025243210 655984359 /nfs/dbraw/zinc/98/43/59/655984359.db2.gz ARGNJFMBXRBHQJ-WOJBJXKFSA-N 0 3 324.468 3.098 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC(CC1)C2 ZINC001025245537 655984458 /nfs/dbraw/zinc/98/44/58/655984458.db2.gz NXRCXNOZIZUFBY-SFANZJOMSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CC)CCC1 ZINC001025259555 655984956 /nfs/dbraw/zinc/98/49/56/655984956.db2.gz OMHTZPBBOIWDFZ-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1csc(C)n1 ZINC001025258234 655985176 /nfs/dbraw/zinc/98/51/76/655985176.db2.gz DWFHCEUPMOVJAG-CVEARBPZSA-N 0 3 319.474 3.097 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C1CCC1 ZINC001025254432 655985413 /nfs/dbraw/zinc/98/54/13/655985413.db2.gz JEPUQJPFJOXMPK-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C1CCC1 ZINC001025254431 655985435 /nfs/dbraw/zinc/98/54/35/655985435.db2.gz JEPUQJPFJOXMPK-QZTJIDSGSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CCCC1 ZINC001025254017 655985443 /nfs/dbraw/zinc/98/54/43/655985443.db2.gz CXWPONJEQMUQPP-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025253191 655985486 /nfs/dbraw/zinc/98/54/86/655985486.db2.gz UMNMZMPWVWLIAA-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001025256194 655985726 /nfs/dbraw/zinc/98/57/26/655985726.db2.gz VEWXUPQBEJIICG-ROUUACIJSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cocc1C ZINC001025256195 655985926 /nfs/dbraw/zinc/98/59/26/655985926.db2.gz VEWXUPQBEJIICG-ZWKOTPCHSA-N 0 3 314.429 3.070 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nccs1 ZINC001025282278 655988610 /nfs/dbraw/zinc/98/86/10/655988610.db2.gz AVUXTPYUOUYBRL-CABCVRRESA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc(C)c1C ZINC001025298304 655990479 /nfs/dbraw/zinc/99/04/79/655990479.db2.gz WBRRDTYEHKWTPL-WOJBJXKFSA-N 0 3 324.468 3.396 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388768 656004230 /nfs/dbraw/zinc/00/42/30/656004230.db2.gz MAYFQTMCCKLVQH-SJLPKXTDSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2scc(C)c2Cl)C1 ZINC001025426963 656008966 /nfs/dbraw/zinc/00/89/66/656008966.db2.gz ACMJZJSCCKTFDK-OLZOCXBDSA-N 0 3 324.877 3.173 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC001025420810 656009341 /nfs/dbraw/zinc/00/93/41/656009341.db2.gz VYOYOLQIOSBAFX-QAPCUYQASA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2sccc2Cl)C1 ZINC001025426934 656009520 /nfs/dbraw/zinc/00/95/20/656009520.db2.gz ZVUUVDIJKZABIS-OLZOCXBDSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)oc3ccccc32)C1 ZINC001025429968 656011043 /nfs/dbraw/zinc/01/10/43/656011043.db2.gz YRQYZHRKKZNLLL-HOCLYGCPSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001025541215 656032929 /nfs/dbraw/zinc/03/29/29/656032929.db2.gz AKDXZRVBBOZLTO-CRAIPNDOSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC001025563967 656037216 /nfs/dbraw/zinc/03/72/16/656037216.db2.gz GVYAWGKDVWTDTJ-HUUCEWRRSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC001025595023 656042181 /nfs/dbraw/zinc/04/21/81/656042181.db2.gz LIOXRUSHXVXMPB-HOTGVXAUSA-N 0 3 316.445 3.004 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2Cl)C1 ZINC001025600945 656042852 /nfs/dbraw/zinc/04/28/52/656042852.db2.gz PDUJQKIKDXWPCL-CABCVRRESA-N 0 3 318.848 3.194 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603903 656044675 /nfs/dbraw/zinc/04/46/75/656044675.db2.gz YYPGJOMQHFJDRH-TVFCKZIOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C(C)(C)C1 ZINC000974598765 656215977 /nfs/dbraw/zinc/21/59/77/656215977.db2.gz VMFUGRSNWQBSIP-XHSDSOJGSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974641004 656219368 /nfs/dbraw/zinc/21/93/68/656219368.db2.gz FAOCQILTKDYILW-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001008660779 656221330 /nfs/dbraw/zinc/22/13/30/656221330.db2.gz RNRYAJFHAFZARL-LBPRGKRZSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)noc2C(C)C)C(C)(C)C1 ZINC000974716122 656224382 /nfs/dbraw/zinc/22/43/82/656224382.db2.gz RYNUPMYCEMUXEP-CQSZACIVSA-N 0 3 319.449 3.123 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C(C)(C)C1 ZINC000974834675 656233544 /nfs/dbraw/zinc/23/35/44/656233544.db2.gz YVWHSBYBSRFOLK-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCCC2(F)F)C(C)(C)C1 ZINC000974893056 656239027 /nfs/dbraw/zinc/23/90/27/656239027.db2.gz IZWQMRHTWIXALA-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)c(C)c2)C(C)(C)C1 ZINC000974977913 656245348 /nfs/dbraw/zinc/24/53/48/656245348.db2.gz XMHCCQVAEZQOJD-MRXNPFEDSA-N 0 3 304.409 3.150 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)c(Cl)c2)C(C)(C)C1 ZINC000974993103 656247000 /nfs/dbraw/zinc/24/70/00/656247000.db2.gz IHTULCLOVOAQSS-INIZCTEOSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCC2CCCCCC2)C1 ZINC001027493611 656317320 /nfs/dbraw/zinc/31/73/20/656317320.db2.gz KSAGFTIDBAFOLJ-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000977336969 656321929 /nfs/dbraw/zinc/32/19/29/656321929.db2.gz QDWYTZVMEXJZPQ-KRWDZBQOSA-N 0 3 316.445 3.020 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C(C)(C)C1 ZINC000977375414 656325017 /nfs/dbraw/zinc/32/50/17/656325017.db2.gz ZQHCMSZBUSSBDD-FUHWJXTLSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2occ3c2CCCC3)C(C)(C)C1 ZINC000977523718 656338448 /nfs/dbraw/zinc/33/84/48/656338448.db2.gz SNVGFAXZLAZJJV-INIZCTEOSA-N 0 3 316.445 3.175 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977561674 656343163 /nfs/dbraw/zinc/34/31/63/656343163.db2.gz BRLIZNGDTQXMJW-KRWDZBQOSA-N 0 3 300.446 3.320 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CCC(C)CC2)C(C)(C)C1 ZINC000977648302 656352385 /nfs/dbraw/zinc/35/23/85/656352385.db2.gz ZEMSHSMSLMEXOR-KOHRHEQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977659567 656353670 /nfs/dbraw/zinc/35/36/70/656353670.db2.gz CDVLVPWNBLVMNX-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001027652680 656386663 /nfs/dbraw/zinc/38/66/63/656386663.db2.gz TVTIZTBXDJGCHB-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC001027697100 656399997 /nfs/dbraw/zinc/39/99/97/656399997.db2.gz 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C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342117 656608012 /nfs/dbraw/zinc/60/80/12/656608012.db2.gz BQQVZPLSNPUBFJ-SJORKVTESA-N 0 3 314.429 3.037 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3CCCC3(C)C)C2)CC1 ZINC001040811380 656608167 /nfs/dbraw/zinc/60/81/67/656608167.db2.gz HWFHWNHRBNUUGP-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2C)C[C@H]1C ZINC000947725914 656609264 /nfs/dbraw/zinc/60/92/64/656609264.db2.gz FTXQUSMGKPZFKH-ZBFHGGJFSA-N 0 3 315.461 3.282 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@]3(C)CCC[C@@H]3C)C2)CC1 ZINC001040838863 656610549 /nfs/dbraw/zinc/61/05/49/656610549.db2.gz WLPZPDNCHXTINY-PKOBYXMFSA-N 0 3 316.489 3.151 20 30 DGEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC000981003285 656612125 /nfs/dbraw/zinc/61/21/25/656612125.db2.gz OGQGWWYKVHFHJP-MOPGFXCFSA-N 0 3 323.440 3.186 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cscc1C ZINC001049400713 656613370 /nfs/dbraw/zinc/61/33/70/656613370.db2.gz 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C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(F)c1Cl ZINC001049746110 656677209 /nfs/dbraw/zinc/67/72/09/656677209.db2.gz CPQKIQWETKZGIW-GJZGRUSLSA-N 0 3 322.811 3.344 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1ccccc1C ZINC001049750685 656679298 /nfs/dbraw/zinc/67/92/98/656679298.db2.gz ZTKCBIUCVWHHHS-VQTJNVASSA-N 0 3 324.468 3.016 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC001041850756 656686693 /nfs/dbraw/zinc/68/66/93/656686693.db2.gz NILXIJCAOCENCR-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1CCC ZINC001049838089 656695422 /nfs/dbraw/zinc/69/54/22/656695422.db2.gz AIBOYZGRHRQRKS-HOTGVXAUSA-N 0 3 302.418 3.097 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1oc(CC)cc1C ZINC001049847437 656697335 /nfs/dbraw/zinc/69/73/35/656697335.db2.gz XBXBOQUQXXRLJW-DLBZAZTESA-N 0 3 316.445 3.405 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1oc(CC)cc1C ZINC001049850590 656698037 /nfs/dbraw/zinc/69/80/37/656698037.db2.gz 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C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(C)CCc2ccccc21 ZINC001049917333 656722230 /nfs/dbraw/zinc/72/22/30/656722230.db2.gz LVTFMSZVQSEMPN-SBHAEUEKSA-N 0 3 324.468 3.142 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3oc(C(F)F)cc3C)C[C@@H]21 ZINC001042100369 656722239 /nfs/dbraw/zinc/72/22/39/656722239.db2.gz MTRZODFTMIOQSX-STQMWFEESA-N 0 3 324.371 3.248 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)CC3(C)CCCCC3)C[C@@H]21 ZINC001042141310 656725046 /nfs/dbraw/zinc/72/50/46/656725046.db2.gz DEZYPRHQYTVSGQ-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccc(CC)s3)C[C@H]21 ZINC001042137501 656725088 /nfs/dbraw/zinc/72/50/88/656725088.db2.gz HDCBKRMPFIOJMJ-GOEBONIOSA-N 0 3 318.486 3.423 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)C[C@@H]21 ZINC001042143264 656726264 /nfs/dbraw/zinc/72/62/64/656726264.db2.gz VGCVDLBIRKMRLO-LRDDRELGSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3CCC)C[C@@H]21 ZINC001042146707 656727544 /nfs/dbraw/zinc/72/75/44/656727544.db2.gz 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CC#CCN1CC[C@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@H]21 ZINC001042302072 656749482 /nfs/dbraw/zinc/74/94/82/656749482.db2.gz QFBBATHPZHIAJF-FXAWDEMLSA-N 0 3 324.468 3.370 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@H]21 ZINC001042302075 656749892 /nfs/dbraw/zinc/74/98/92/656749892.db2.gz QFBBATHPZHIAJF-YLJYHZDGSA-N 0 3 324.468 3.370 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccccc2C2(C)CC2)CC1 ZINC001052702293 656751266 /nfs/dbraw/zinc/75/12/66/656751266.db2.gz MBAFEECXAQAXJK-KRWDZBQOSA-N 0 3 324.468 3.346 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(C(F)F)c3)C[C@@H]21 ZINC001042316827 656751590 /nfs/dbraw/zinc/75/15/90/656751590.db2.gz UCLBHNHSWFROGF-CJNGLKHVSA-N 0 3 320.383 3.347 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(C(F)F)c3)C[C@H]21 ZINC001042316828 656751753 /nfs/dbraw/zinc/75/17/53/656751753.db2.gz UCLBHNHSWFROGF-CZUORRHYSA-N 0 3 320.383 3.347 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccccc3Cl)C[C@@H]21 ZINC001042328138 656753374 /nfs/dbraw/zinc/75/33/74/656753374.db2.gz 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ZINC001042379307 656769309 /nfs/dbraw/zinc/76/93/09/656769309.db2.gz JNLLUPJOGAVGPQ-HKUYNNGSSA-N 0 3 324.468 3.135 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC001052885650 656782102 /nfs/dbraw/zinc/78/21/02/656782102.db2.gz XNCIYJCTRBVQAV-RTBURBONSA-N 0 3 324.468 3.101 20 30 DGEDHN CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001052886139 656783332 /nfs/dbraw/zinc/78/33/32/656783332.db2.gz HCWWTAXKZICSDU-KRWDZBQOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCCc4ccccc43)C2)C1 ZINC000981848361 656786986 /nfs/dbraw/zinc/78/69/86/656786986.db2.gz LIOPKOUVVDZVMU-IBGZPJMESA-N 0 3 324.468 3.217 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001052918173 656790681 /nfs/dbraw/zinc/79/06/81/656790681.db2.gz PGSLUVMDDVXPSJ-GOSISDBHSA-N 0 3 312.457 3.219 20 30 DGEDHN CC[C@@](O)(CN1CC[C@]2(CC(F)(F)C2(F)F)C1)C(F)(F)F ZINC000931911279 656790938 /nfs/dbraw/zinc/79/09/38/656790938.db2.gz WBCMKWGHLBZDKJ-DTWKUNHWSA-N 0 3 323.252 3.056 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C)sc3C)C2)C1 ZINC000981877246 656794661 /nfs/dbraw/zinc/79/46/61/656794661.db2.gz YGZKHXNFFJGXQS-UHFFFAOYSA-N 0 3 304.459 3.089 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001052951029 656795877 /nfs/dbraw/zinc/79/58/77/656795877.db2.gz FKDSZRGZUAWTHE-IBGZPJMESA-N 0 3 310.441 3.172 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)CC1 ZINC001052961290 656798237 /nfs/dbraw/zinc/79/82/37/656798237.db2.gz MIQQKYBQEPWQDR-QGZVFWFLSA-N 0 3 324.468 3.091 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001052963039 656799266 /nfs/dbraw/zinc/79/92/66/656799266.db2.gz RMYTWEHGLJDDQP-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001052968232 656801441 /nfs/dbraw/zinc/80/14/41/656801441.db2.gz XDOPHHKDRYDLMN-HKUYNNGSSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000981918454 656802664 /nfs/dbraw/zinc/80/26/64/656802664.db2.gz YMSOIVPSQXZHQC-UHFFFAOYSA-N 0 3 302.462 3.377 20 30 DGEDHN CC(=O)N1CCC[C@H]([C@@H]2CCCN(CC#Cc3ccccc3)C2)C1 ZINC001052997643 656809236 /nfs/dbraw/zinc/80/92/36/656809236.db2.gz SCNOMAJVEQSKSA-RTWAWAEBSA-N 0 3 324.468 3.009 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001028162428 656822846 /nfs/dbraw/zinc/82/28/46/656822846.db2.gz HVNSXEXSLYRRLI-WNRNVDISSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H]([C@H]3CCCN(CCF)C3)C2)C1 ZINC001053038035 656827641 /nfs/dbraw/zinc/82/76/41/656827641.db2.gz FCNGPDIVCAVJMG-IRXDYDNUSA-N 0 3 322.468 3.263 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(Cl)cc3C)C2)C1 ZINC000981980255 656844167 /nfs/dbraw/zinc/84/41/67/656844167.db2.gz ZEWLPEWHCUBRAU-UHFFFAOYSA-N 0 3 318.848 3.372 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC2CCC2)C1 ZINC001053076218 656845788 /nfs/dbraw/zinc/84/57/88/656845788.db2.gz MXYZSJXBMFEYQR-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001028209003 656868846 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C=CCN1CCCC2(CN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC000982123873 656900407 /nfs/dbraw/zinc/90/04/07/656900407.db2.gz QQOZDHADTZREOV-QGZVFWFLSA-N 0 3 312.457 3.209 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001028217719 656900992 /nfs/dbraw/zinc/90/09/92/656900992.db2.gz YAWFJXYESZIWFM-HNNXBMFYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001028217720 656901193 /nfs/dbraw/zinc/90/11/93/656901193.db2.gz YAWFJXYESZIWFM-OAHLLOKOSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(F)cc3Cl)C2)C1 ZINC000982138106 656905564 /nfs/dbraw/zinc/90/55/64/656905564.db2.gz VBQJNTZFCZQRNZ-UHFFFAOYSA-N 0 3 322.811 3.203 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000982155202 656907447 /nfs/dbraw/zinc/90/74/47/656907447.db2.gz NOOUSSWQYKHCKT-HNNXBMFYSA-N 0 3 316.420 3.040 20 30 DGEDHN C=C(C)CN1CCCC2(CN(C(=O)c3ccc(F)s3)C2)C1 ZINC000982169850 656910105 /nfs/dbraw/zinc/91/01/05/656910105.db2.gz RKKWUULYYUWARY-UHFFFAOYSA-N 0 3 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ZINC001046808801 657225371 /nfs/dbraw/zinc/22/53/71/657225371.db2.gz ATAAJGLHNZEJQL-SJLPKXTDSA-N 0 3 318.848 3.136 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001046816662 657226864 /nfs/dbraw/zinc/22/68/64/657226864.db2.gz JPEYJRFDYYBAHJ-UHYCVJNDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001046817412 657228774 /nfs/dbraw/zinc/22/87/74/657228774.db2.gz YVZCAIUAJWONKB-LJQANCHMSA-N 0 3 316.445 3.244 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2occc2-c2ccccc2)CC1 ZINC001001609106 657232787 /nfs/dbraw/zinc/23/27/87/657232787.db2.gz JEKTUBZMQAMSEG-UHFFFAOYSA-N 0 3 322.408 3.022 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001046870228 657241301 /nfs/dbraw/zinc/24/13/01/657241301.db2.gz UPKSDDNUZCDCFU-YJBOKZPZSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001046882707 657243424 /nfs/dbraw/zinc/24/34/24/657243424.db2.gz HONRAMQPVWKGHC-LJQANCHMSA-N 0 3 300.446 3.192 20 30 DGEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001046911374 657245259 /nfs/dbraw/zinc/24/52/59/657245259.db2.gz BHFMTKCSXOOODW-INIZCTEOSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3C)[C@@H]2C1 ZINC001050166334 657262776 /nfs/dbraw/zinc/26/27/76/657262776.db2.gz SNAREVQVCOBSQQ-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(C(F)F)cc3)[C@@H]2C1 ZINC001050164341 657263565 /nfs/dbraw/zinc/26/35/65/657263565.db2.gz DLBPISAHNSSLNR-JKSUJKDBSA-N 0 3 320.383 3.347 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001050184229 657265816 /nfs/dbraw/zinc/26/58/16/657265816.db2.gz QEZICSPTQRKGTN-NZSAHSFTSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001050188425 657266458 /nfs/dbraw/zinc/26/64/58/657266458.db2.gz COVAUEIZFBDACN-GOEBONIOSA-N 0 3 304.821 3.062 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001050190445 657267013 /nfs/dbraw/zinc/26/70/13/657267013.db2.gz KDHHVQZNWKWEQZ-XJKSGUPXSA-N 0 3 304.821 3.062 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc3scnc3c2)CC1 ZINC000983531534 657281744 /nfs/dbraw/zinc/28/17/44/657281744.db2.gz XFQRVDHBDQWZGL-UHFFFAOYSA-N 0 3 315.442 3.020 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](C)C3CCC3)C2)CC1 ZINC001047243313 657285334 /nfs/dbraw/zinc/28/53/34/657285334.db2.gz KDOADABYLYAOAL-APWZRJJASA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@](C)(C=C)CC)C2)CC1 ZINC001047253571 657287670 /nfs/dbraw/zinc/28/76/70/657287670.db2.gz BVRUAMISIAKNLG-QUCCMNQESA-N 0 3 316.489 3.173 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 ZINC001047263479 657288871 /nfs/dbraw/zinc/28/88/71/657288871.db2.gz HBVMHRARKHGRTB-FQEVSTJZSA-N 0 3 324.468 3.192 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)c3cc(C)ccc3C3CC3)C2)CC1 ZINC001050604008 657328877 /nfs/dbraw/zinc/32/88/77/657328877.db2.gz KFERDTGDHKHKPH-UHFFFAOYSA-N 0 3 322.452 3.044 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001050645324 657337256 /nfs/dbraw/zinc/33/72/56/657337256.db2.gz INXKOZOUEYYGPG-DOTOQJQBSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)c3ccc4ccccc4c3)C2)CC1 ZINC001050739490 657352643 /nfs/dbraw/zinc/35/26/43/657352643.db2.gz QHOCEUZWJWSUKA-UHFFFAOYSA-N 0 3 318.420 3.011 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)c3ccc(C(C)C)s3)C2)CC1 ZINC001050768483 657359558 /nfs/dbraw/zinc/35/95/58/657359558.db2.gz WDSZRCMOBJNGKD-UHFFFAOYSA-N 0 3 316.470 3.043 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC001050771411 657360059 /nfs/dbraw/zinc/36/00/59/657360059.db2.gz WZDJPJPNKMSNKL-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN CCCCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126816339 657366680 /nfs/dbraw/zinc/36/66/80/657366680.db2.gz HUCLJBGXTMXDJC-MRXNPFEDSA-N 0 3 300.402 3.372 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000968413981 657408757 /nfs/dbraw/zinc/40/87/57/657408757.db2.gz NXJRFIHFHZGRGB-XJKSGUPXSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000968464783 657414460 /nfs/dbraw/zinc/41/44/60/657414460.db2.gz LPDTUJDKNWLRHP-NCXUSEDFSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)C[C@H]1C ZINC000947806022 657427053 /nfs/dbraw/zinc/42/70/53/657427053.db2.gz NNEKZWOFAADPGO-CJNGLKHVSA-N 0 3 320.383 3.230 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000968569163 657428077 /nfs/dbraw/zinc/42/80/77/657428077.db2.gz HZHSDNYYCDXCKL-CJNGLKHVSA-N 0 3 306.837 3.356 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC000968566240 657428493 /nfs/dbraw/zinc/42/84/93/657428493.db2.gz PLHLWZJIZHUFCX-GXTWGEPZSA-N 0 3 319.474 3.037 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000968569166 657428521 /nfs/dbraw/zinc/42/85/21/657428521.db2.gz HZHSDNYYCDXCKL-XJKSGUPXSA-N 0 3 306.837 3.356 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC=C(C)C)CC[C@H]1C ZINC000968593675 657435772 /nfs/dbraw/zinc/43/57/72/657435772.db2.gz ZJGFAYGBTXEFOE-YLJYHZDGSA-N 0 3 324.468 3.003 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@H]1CN(CC=C(C)C)CC[C@H]1C ZINC000968593674 657436193 /nfs/dbraw/zinc/43/61/93/657436193.db2.gz ZJGFAYGBTXEFOE-XLIONFOSSA-N 0 3 324.468 3.003 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968599361 657437609 /nfs/dbraw/zinc/43/76/09/657437609.db2.gz VMLHRMUAQLHIHE-CRAIPNDOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607146 657441163 /nfs/dbraw/zinc/44/11/63/657441163.db2.gz OZUBZZVRKUFBAR-QAPCUYQASA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968614484 657442627 /nfs/dbraw/zinc/44/26/27/657442627.db2.gz KSENYWZSAGLEJU-WMZOPIPTSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC000968624454 657447624 /nfs/dbraw/zinc/44/76/24/657447624.db2.gz UAYXLEZRIBVQLY-IUODEOHRSA-N 0 3 306.475 3.381 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC000968689249 657459337 /nfs/dbraw/zinc/45/93/37/657459337.db2.gz VPMBMIWIVPODKG-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC000968689297 657459489 /nfs/dbraw/zinc/45/94/89/657459489.db2.gz WKYZCXQZPYSZJD-WMLDXEAASA-N 0 3 304.409 3.172 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1sccc1C ZINC000968730113 657474324 /nfs/dbraw/zinc/47/43/24/657474324.db2.gz RSVBGMUMCTYUFF-HNNXBMFYSA-N 0 3 304.459 3.054 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC000968919679 657514938 /nfs/dbraw/zinc/51/49/38/657514938.db2.gz IGYOTCYUCTZITM-HNNXBMFYSA-N 0 3 304.434 3.393 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC000968936612 657517164 /nfs/dbraw/zinc/51/71/64/657517164.db2.gz MIGVSDFYRVEIDJ-QGZVFWFLSA-N 0 3 313.445 3.119 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC000968938600 657518144 /nfs/dbraw/zinc/51/81/44/657518144.db2.gz MQPJQFGURBZJRU-HNNXBMFYSA-N 0 3 318.486 3.308 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC000968943851 657520598 /nfs/dbraw/zinc/52/05/98/657520598.db2.gz AFFCQUMQXXSERY-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC000969039510 657539707 /nfs/dbraw/zinc/53/97/07/657539707.db2.gz OCAOAYLSFIROGG-OAHLLOKOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC000969073174 657550501 /nfs/dbraw/zinc/55/05/01/657550501.db2.gz XJLJQKJKRDFLIS-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001007320483 657594183 /nfs/dbraw/zinc/59/41/83/657594183.db2.gz LPTDGICWRHIZHH-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccnn2C(CC)CC)C1 ZINC001007492845 657614338 /nfs/dbraw/zinc/61/43/38/657614338.db2.gz QJDJWTXNJHLIAF-OAHLLOKOSA-N 0 3 318.465 3.015 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001007700420 657629093 /nfs/dbraw/zinc/62/90/93/657629093.db2.gz UAUFSGUNNMFMDP-LYBXBRPPSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001007700421 657629698 /nfs/dbraw/zinc/62/96/98/657629698.db2.gz UAUFSGUNNMFMDP-UUKMXZOPSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001007918936 657646653 /nfs/dbraw/zinc/64/66/53/657646653.db2.gz LBXPMBWMYRODJG-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001007959105 657649025 /nfs/dbraw/zinc/64/90/25/657649025.db2.gz BVWRRLNBMHOVRX-SJLPKXTDSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008120614 657662312 /nfs/dbraw/zinc/66/23/12/657662312.db2.gz KTBLFSAWWMHZQU-HNNXBMFYSA-N 0 3 309.413 3.005 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000304974087 657662425 /nfs/dbraw/zinc/66/24/25/657662425.db2.gz OUKBNZXARIRCNA-IBGZPJMESA-N 0 3 323.415 3.452 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305058314 657670260 /nfs/dbraw/zinc/67/02/60/657670260.db2.gz DPGYGQDJSLRLLA-HXUWFJFHSA-N 0 3 317.392 3.152 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001008402221 657693185 /nfs/dbraw/zinc/69/31/85/657693185.db2.gz ZPDOFLAODPACCI-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001008514998 657702540 /nfs/dbraw/zinc/70/25/40/657702540.db2.gz KYSOCAJUSFSVMP-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001008897334 657738106 /nfs/dbraw/zinc/73/81/06/657738106.db2.gz YFEHCIUIGDJKJH-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009061102 657744431 /nfs/dbraw/zinc/74/44/31/657744431.db2.gz WGAGDFCKLVQESB-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001009122283 657751376 /nfs/dbraw/zinc/75/13/76/657751376.db2.gz DVAIWYAFLBSRMA-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC(N(C)Cc2ccccn2)CC1 ZINC000985567945 657759570 /nfs/dbraw/zinc/75/95/70/657759570.db2.gz BVDDDZMLIXDGIW-UHFFFAOYSA-N 0 3 315.461 3.107 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000960256116 657767641 /nfs/dbraw/zinc/76/76/41/657767641.db2.gz WHQAUHJICFTPTL-XFQXTVEOSA-N 0 3 310.441 3.291 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccc(C)o1 ZINC000960257133 657768928 /nfs/dbraw/zinc/76/89/28/657768928.db2.gz GHICGRRWEHJODZ-UYAOXDASSA-N 0 3 324.424 3.078 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(F)=C1CCCC1 ZINC000960260488 657769204 /nfs/dbraw/zinc/76/92/04/657769204.db2.gz HKOFOZFKOLJMHC-SJLPKXTDSA-N 0 3 314.404 3.342 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001009341450 657770373 /nfs/dbraw/zinc/77/03/73/657770373.db2.gz LBAONPIXDWAXDB-CYBMUJFWSA-N 0 3 317.458 3.390 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C1CCC1 ZINC000960279744 657771233 /nfs/dbraw/zinc/77/12/33/657771233.db2.gz YNVUIYHYDMNHPB-NIKGAXFTSA-N 0 3 312.457 3.371 20 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ZINC001039092578 658997192 /nfs/dbraw/zinc/99/71/92/658997192.db2.gz PVONGZWVMYCVIX-INIZCTEOSA-N 0 3 310.869 3.100 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC001039115798 659006747 /nfs/dbraw/zinc/00/67/47/659006747.db2.gz JWLHVEUEMZRKGP-LAQIPUCWSA-N 0 3 322.880 3.266 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3CC34CC4)CC2)C1 ZINC001039162001 659021308 /nfs/dbraw/zinc/02/13/08/659021308.db2.gz QLDZXAHYSXOASQ-JKSUJKDBSA-N 0 3 322.880 3.100 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC001039171902 659022061 /nfs/dbraw/zinc/02/20/61/659022061.db2.gz GAXVPCIPDRUKAM-DJIMGWMZSA-N 0 3 324.896 3.346 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC(C)(C)C2CC2)C1 ZINC001039201226 659036397 /nfs/dbraw/zinc/03/63/97/659036397.db2.gz ZJMZPEBBEFUDNK-WMZOPIPTSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2=CCCCCC2)C1 ZINC001039223315 659045983 /nfs/dbraw/zinc/04/59/83/659045983.db2.gz UFYCOBVBLPKURB-MOPGFXCFSA-N 0 3 314.473 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C=CCN1CC[C@@]2(NC(=O)c3cccc(F)c3Cl)CCC[C@H]12 ZINC000992256829 659500812 /nfs/dbraw/zinc/50/08/12/659500812.db2.gz HRZZQOBXRMRKCW-YOEHRIQHSA-N 0 3 322.811 3.392 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(F)cc(Cl)c3)CCC[C@H]12 ZINC000992258550 659502023 /nfs/dbraw/zinc/50/20/23/659502023.db2.gz KXNRLBNIOYMSAV-RDJZCZTQSA-N 0 3 322.811 3.392 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)ccc3F)CCC[C@@H]12 ZINC000992265347 659504087 /nfs/dbraw/zinc/50/40/87/659504087.db2.gz WWUJNCDLJVVNKF-AEFFLSMTSA-N 0 3 302.393 3.047 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)cc(F)c3)CCC[C@@H]12 ZINC000992294349 659515015 /nfs/dbraw/zinc/51/50/15/659515015.db2.gz QVPSYHGOJKHUMC-AEFFLSMTSA-N 0 3 302.393 3.047 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4cccnc4c3)CCC[C@@H]12 ZINC000992332228 659526831 /nfs/dbraw/zinc/52/68/31/659526831.db2.gz OKLDDZDDPFFOCS-UYAOXDASSA-N 0 3 321.424 3.148 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC[C@H]12 ZINC000992418075 659545001 /nfs/dbraw/zinc/54/50/01/659545001.db2.gz 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659558762 /nfs/dbraw/zinc/55/87/62/659558762.db2.gz VQWCMCOAZZNWKY-AZUAARDMSA-N 0 3 310.441 3.054 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3cncc4ccccc43)CCC[C@H]12 ZINC000992496887 659563958 /nfs/dbraw/zinc/56/39/58/659563958.db2.gz OIDWKRUCIYXBSN-AZUAARDMSA-N 0 3 321.424 3.148 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4c(c3)CCC4)CCC[C@@H]12 ZINC000992502346 659566094 /nfs/dbraw/zinc/56/60/94/659566094.db2.gz YAQIGTKHPWWTQW-QUCCMNQESA-N 0 3 310.441 3.088 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CCCC(C)(C)C3)CCC[C@H]12 ZINC000992515934 659568722 /nfs/dbraw/zinc/56/87/22/659568722.db2.gz MYJDMYSEOXYNTG-FUHIMQAGSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)c4c3CCC4)CCC[C@H]12 ZINC000992518603 659569003 /nfs/dbraw/zinc/56/90/03/659569003.db2.gz ROERDDLNMIFKEN-PZJWPPBQSA-N 0 3 324.468 3.397 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@]3(C)CCC[C@H]3CC)C2)CC1 ZINC001040746987 659604986 /nfs/dbraw/zinc/60/49/86/659604986.db2.gz JJSNXGUKVWMRDQ-MJGOQNOKSA-N 0 3 316.489 3.151 20 30 DGEDHN N#CC1CCC(CN2CCN(c3cc(F)ccc3F)CC2)CC1 ZINC000929805425 659613060 /nfs/dbraw/zinc/61/30/60/659613060.db2.gz HLNFJNSPASUVGA-UHFFFAOYSA-N 0 3 319.399 3.417 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(Cl)cccc2OC)C[C@@H]1C ZINC000948060567 659676538 /nfs/dbraw/zinc/67/65/38/659676538.db2.gz GFNDVESDZTXPAB-QWHCGFSZSA-N 0 3 322.836 3.117 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC000993374907 659723126 /nfs/dbraw/zinc/72/31/26/659723126.db2.gz GIXDFSKISBLCEK-SJLPKXTDSA-N 0 3 300.446 3.001 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993424665 659735187 /nfs/dbraw/zinc/73/51/87/659735187.db2.gz BXLMZESTURLPOR-CJNGLKHVSA-N 0 3 301.434 3.051 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1C ZINC000993446229 659745203 /nfs/dbraw/zinc/74/52/03/659745203.db2.gz MMNOTIRKNLGAKZ-WBMJQRKESA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H]1C ZINC000993571534 659758395 /nfs/dbraw/zinc/75/83/95/659758395.db2.gz NGANCIUEGBRGGE-WMLDXEAASA-N 0 3 304.409 3.293 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC=C(C)C)[C@H]2C)cc1 ZINC000993664123 659772658 /nfs/dbraw/zinc/77/26/58/659772658.db2.gz DGVHASUULGQPSJ-LPHOPBHVSA-N 0 3 310.441 3.217 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(F)ccc2C)[C@H]1C ZINC000993633754 659772875 /nfs/dbraw/zinc/77/28/75/659772875.db2.gz LMXNLQSNLLCFLH-PBHICJAKSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1C ZINC000993736057 659783435 /nfs/dbraw/zinc/78/34/35/659783435.db2.gz XZDCAZPXYYFDNX-CJNGLKHVSA-N 0 3 306.837 3.038 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cc(F)ccc2F)[C@H]1C ZINC000993729790 659786155 /nfs/dbraw/zinc/78/61/55/659786155.db2.gz QGYCBBJHBJZOIN-CXAGYDPISA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2C)[C@@H]1C ZINC000993728221 659786251 /nfs/dbraw/zinc/78/62/51/659786251.db2.gz HIAGQHWYAJXLKS-WMLDXEAASA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(Cl)c2F)[C@H]1C ZINC000993776063 659789457 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C=CCN1C[C@H](NC(=O)c2cccc3cnccc32)CC[C@@H]1C ZINC001072080780 686858158 /nfs/dbraw/zinc/85/81/58/686858158.db2.gz BGHBJNRZPPZTCF-GOEBONIOSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(CF)cc2)CC[C@@H]1C ZINC001072106231 686868788 /nfs/dbraw/zinc/86/87/88/686868788.db2.gz PHTMUPJJJAWWRI-YOEHRIQHSA-N 0 3 304.409 3.315 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc(C(F)F)ccc3F)C2)C1 ZINC001072744146 686955601 /nfs/dbraw/zinc/95/56/01/686955601.db2.gz NCOSNQQZAIFDCL-UHFFFAOYSA-N 0 3 324.346 3.097 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3C3(C)CC3)C2)C1 ZINC001072973586 686993432 /nfs/dbraw/zinc/99/34/32/686993432.db2.gz UZFJKFGTRAVBGM-UHFFFAOYSA-N 0 3 310.441 3.072 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)CC3CCCCC3)C2)C1 ZINC001073029742 687001887 /nfs/dbraw/zinc/00/18/87/687001887.db2.gz GEKDPXDYFSJQSM-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)C1 ZINC001073078369 687008766 /nfs/dbraw/zinc/00/87/66/687008766.db2.gz GUXJWOYWAWWBRE-QAQDUYKDSA-N 0 3 304.478 3.169 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cccc4ccsc43)C2)C1 ZINC001073104108 687012962 /nfs/dbraw/zinc/01/29/62/687012962.db2.gz XXRVCKGTUAUJKA-UHFFFAOYSA-N 0 3 312.438 3.235 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)Cc3cccc4ccccc43)C2)C1 ZINC001073144104 687018796 /nfs/dbraw/zinc/01/87/96/687018796.db2.gz TWSOOEUSXGPBKQ-UHFFFAOYSA-N 0 3 320.436 3.103 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)c(F)cc3Cl)C2)C1 ZINC001073154071 687020040 /nfs/dbraw/zinc/02/00/40/687020040.db2.gz OLBRSYAETXMDCN-UHFFFAOYSA-N 0 3 322.811 3.121 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(C)(C)C)s3)C2)C1 ZINC001073451154 687195842 /nfs/dbraw/zinc/19/58/42/687195842.db2.gz VQBMNXHOOIVWKM-UHFFFAOYSA-N 0 3 318.486 3.380 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc4c(cccc4C)o3)C2)C1 ZINC001073471663 687201675 /nfs/dbraw/zinc/20/16/75/687201675.db2.gz LOFUUBZTXRIEDJ-UHFFFAOYSA-N 0 3 310.397 3.075 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001076225451 687497224 /nfs/dbraw/zinc/49/72/24/687497224.db2.gz LSSMZZQGYZUOBO-QILLFSRXSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3Cl)[C@@H]2C1 ZINC001076270889 687500533 /nfs/dbraw/zinc/50/05/33/687500533.db2.gz HKWWKXLJKKJUKP-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2C1 ZINC001076281030 687501592 /nfs/dbraw/zinc/50/15/92/687501592.db2.gz SINIBXRWLKESOT-XJKSGUPXSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)CC3CCCCC3)[C@@H]2C1 ZINC001076315586 687506439 /nfs/dbraw/zinc/50/64/39/687506439.db2.gz MAILKAJEVYLHCJ-RYQLBKOJSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001076323307 687507485 /nfs/dbraw/zinc/50/74/85/687507485.db2.gz MMOVUGOMXSEMDT-ZIFCJYIRSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C(C)C)oc3C)[C@@H]2C1 ZINC001076417814 687521153 /nfs/dbraw/zinc/52/11/53/687521153.db2.gz VNHIZXGKLZYHIL-DOTOQJQBSA-N 0 3 316.445 3.434 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001076489997 687528871 /nfs/dbraw/zinc/52/88/71/687528871.db2.gz RSXDAIJGEYNJRZ-GOEBONIOSA-N 0 3 304.821 3.062 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)=C2CCC2)C12CCC2 ZINC001078624457 687690585 /nfs/dbraw/zinc/69/05/85/687690585.db2.gz RSBYUHBCSYTOGY-CABCVRRESA-N 0 3 308.853 3.256 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C23CCC(CC2)C3)C12CCC2 ZINC001078659343 687698895 /nfs/dbraw/zinc/69/88/95/687698895.db2.gz XZOKBDPIHXCRNY-GYMHETDLSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CCC(CC2)C3)C12CCC2 ZINC001078659344 687699012 /nfs/dbraw/zinc/69/90/12/687699012.db2.gz XZOKBDPIHXCRNY-KRIMKBQASA-N 0 3 322.880 3.336 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001080144781 687923890 /nfs/dbraw/zinc/92/38/90/687923890.db2.gz RUOFLUDABDDXLM-OXQOHEQNSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001080323476 687954248 /nfs/dbraw/zinc/95/42/48/687954248.db2.gz RJRDSWWFQFTDCK-FDYHWXHSSA-N 0 3 324.877 3.128 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c3ccccc23)C1 ZINC001080487668 687985147 /nfs/dbraw/zinc/98/51/47/687985147.db2.gz GOURXIGKUZWYQN-FZKQIMNGSA-N 0 3 312.388 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001080499189 687986826 /nfs/dbraw/zinc/98/68/26/687986826.db2.gz LFAZRDRAFVYBQL-IAQYHMDHSA-N 0 3 310.800 3.105 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001080583774 687997624 /nfs/dbraw/zinc/99/76/24/687997624.db2.gz VQTVDBMATGTRID-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(CCC)c(C)s2)C1 ZINC001080906438 688025936 /nfs/dbraw/zinc/02/59/36/688025936.db2.gz BUAVGNIRMJJIOI-CZUORRHYSA-N 0 3 318.486 3.082 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001081007712 688033814 /nfs/dbraw/zinc/03/38/14/688033814.db2.gz FEIOSARKEHUDMW-FRQCXROJSA-N 0 3 312.457 3.274 20 30 DGEDHN CCCCCCCC[C@@H](CO)NC(=O)c1cccc2c1CNC2 ZINC001577426288 1191900464 /nfs/dbraw/zinc/90/04/64/1191900464.db2.gz KKVAGGAPWBNHKE-INIZCTEOSA-N 0 3 318.461 3.131 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)C[C@H](N)c1ccccc1 ZINC001577574931 1191908148 /nfs/dbraw/zinc/90/81/48/1191908148.db2.gz XXLLYOJNTRLVLF-INIZCTEOSA-N 0 3 322.412 3.409 20 30 DGEDHN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](N)CCCC#N)o1 ZINC001578255597 1191934990 /nfs/dbraw/zinc/93/49/90/1191934990.db2.gz VAEPXBNHGCSFPP-HOTGVXAUSA-N 0 3 317.433 3.307 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](N)CCCCC#N ZINC001579643915 1191984167 /nfs/dbraw/zinc/98/41/67/1191984167.db2.gz XBPWRAYECVZFIA-GJZGRUSLSA-N 0 3 317.433 3.129 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001580049074 1192004583 /nfs/dbraw/zinc/00/45/83/1192004583.db2.gz GUBVWEKVDCBTDC-BZSNNMDCSA-N 0 3 313.445 3.098 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001580049076 1192004910 /nfs/dbraw/zinc/00/49/10/1192004910.db2.gz GUBVWEKVDCBTDC-KURKYZTESA-N 0 3 313.445 3.098 20 30 DGEDHN CCCCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cn1 ZINC001590592951 1192529410 /nfs/dbraw/zinc/52/94/10/1192529410.db2.gz QAIKNXPNLDPFCI-CYBMUJFWSA-N 0 3 302.426 3.100 20 30 DGEDHN CCCCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cn1 ZINC001590592951 1192529412 /nfs/dbraw/zinc/52/94/12/1192529412.db2.gz QAIKNXPNLDPFCI-CYBMUJFWSA-N 0 3 302.426 3.100 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001690975164 1176055876 /nfs/dbraw/zinc/05/58/76/1176055876.db2.gz SWMDYJDIDBBHRV-IBGZPJMESA-N 0 3 302.462 3.399 20 30 DGEDHN C=CC1(CC(=O)NCCN(C)C[C@@H]2CCCCO2)CCCCC1 ZINC001690983206 1176066335 /nfs/dbraw/zinc/06/63/35/1176066335.db2.gz AWIHECYCFXEWBJ-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccc(Cl)cc1F)C1CC1 ZINC001670451556 1176140475 /nfs/dbraw/zinc/14/04/75/1176140475.db2.gz SHSZAFWCYWSCNN-INIZCTEOSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCN(CC)CCNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001691034042 1176165187 /nfs/dbraw/zinc/16/51/87/1176165187.db2.gz DTZBUWQRMTUFJI-UHFFFAOYSA-N 0 3 308.853 3.205 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CC1(c2ccccc2)CC1 ZINC001670651091 1176202938 /nfs/dbraw/zinc/20/29/38/1176202938.db2.gz PQCGUUQGUMLVRX-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1CCCc1ccc(C)cc1 ZINC001670672355 1176210373 /nfs/dbraw/zinc/21/03/73/1176210373.db2.gz LMWGCOXHZYGFPZ-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](CCC)c1ccccn1 ZINC001670683125 1176215151 /nfs/dbraw/zinc/21/51/51/1176215151.db2.gz ZNWZZLIGOSVHPB-IAGOWNOFSA-N 0 3 315.461 3.122 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001754074511 1176234389 /nfs/dbraw/zinc/23/43/89/1176234389.db2.gz XELGPWXJHQKGQR-UONOGXRCSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001670729959 1176250975 /nfs/dbraw/zinc/25/09/75/1176250975.db2.gz ONFOGVPNJJLKKM-OAHLLOKOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001691050716 1176277403 /nfs/dbraw/zinc/27/74/03/1176277403.db2.gz OENKMQQAARSLCL-MRXNPFEDSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C(F)(F)F ZINC001691053110 1176278714 /nfs/dbraw/zinc/27/87/14/1176278714.db2.gz KHYUJIVMFVSGRU-ZIAGYGMSSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001691053655 1176279221 /nfs/dbraw/zinc/27/92/21/1176279221.db2.gz UDQPDIRONQWPER-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001691066953 1176290676 /nfs/dbraw/zinc/29/06/76/1176290676.db2.gz YTMDZUSBVUXKPD-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc(F)cc1F ZINC001691072167 1176294184 /nfs/dbraw/zinc/29/41/84/1176294184.db2.gz VBXKYDPOPWKCMW-UKRRQHHQSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1cccc(Cl)c1F ZINC001691099687 1176311279 /nfs/dbraw/zinc/31/12/79/1176311279.db2.gz FKTSPMQLKMDPPV-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC001691112609 1176321956 /nfs/dbraw/zinc/32/19/56/1176321956.db2.gz IQFWCBIPDQSWTN-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN CCCCCC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001691133524 1176331535 /nfs/dbraw/zinc/33/15/35/1176331535.db2.gz MRJQLABLLSQLQJ-WGSAOQKQSA-N 0 3 312.457 3.103 20 30 DGEDHN CC1(C(=O)NC[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001691159168 1176346911 /nfs/dbraw/zinc/34/69/11/1176346911.db2.gz ZOQLTDRGRQPVRM-WGSAOQKQSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001691171107 1176354828 /nfs/dbraw/zinc/35/48/28/1176354828.db2.gz NDCMFVGECHQVGO-HKUYNNGSSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1CC1 ZINC001691212837 1176394883 /nfs/dbraw/zinc/39/48/83/1176394883.db2.gz ASDZLJGAXHFTJR-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCCCCC(=O)N(C)CCNCc1ccc(Cl)c(F)c1 ZINC001691299275 1176430780 /nfs/dbraw/zinc/43/07/80/1176430780.db2.gz QKYBKEZNKSDSQO-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)CC(F)F ZINC001691392036 1176463773 /nfs/dbraw/zinc/46/37/73/1176463773.db2.gz INTQWEOZZUHAHV-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)[C@H](C)CC ZINC001725145198 1176532994 /nfs/dbraw/zinc/53/29/94/1176532994.db2.gz AMNLLYQXBSXSLR-TZMCWYRMSA-N 0 3 302.890 3.495 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1nsc2ccccc12 ZINC001754362227 1176547326 /nfs/dbraw/zinc/54/73/26/1176547326.db2.gz WRWQUOUGBBDQML-UHFFFAOYSA-N 0 3 317.458 3.201 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2ccncc2s1 ZINC001754375770 1176560685 /nfs/dbraw/zinc/56/06/85/1176560685.db2.gz NYMQBZRYQBGGIJ-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001754556984 1176604618 /nfs/dbraw/zinc/60/46/18/1176604618.db2.gz LZJROCZYTPYPIA-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1cccc(F)c1 ZINC001691448936 1176618191 /nfs/dbraw/zinc/61/81/91/1176618191.db2.gz SFVVIKJRBPNGCO-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001691460198 1176625277 /nfs/dbraw/zinc/62/52/77/1176625277.db2.gz JIOGTPMESKYNLO-JCGIZDLHSA-N 0 3 313.445 3.073 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1cc(C)sc1C ZINC001731808453 1176637102 /nfs/dbraw/zinc/63/71/02/1176637102.db2.gz CQQBQWMLAFEPCB-UHFFFAOYSA-N 0 3 320.502 3.497 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)SC)c1ccc(C(C)C)cc1 ZINC001691766478 1176781420 /nfs/dbraw/zinc/78/14/20/1176781420.db2.gz AUBWDKCAWLEGLH-RHSMWYFYSA-N 0 3 320.502 3.494 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cc[nH]c2CC)CC1 ZINC001752433764 1176810782 /nfs/dbraw/zinc/81/07/82/1176810782.db2.gz RPJMVHTXAVEAKH-UHFFFAOYSA-N 0 3 317.477 3.470 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001670780355 1176837276 /nfs/dbraw/zinc/83/72/76/1176837276.db2.gz SSFRCKYBKAOKDN-ZWKOTPCHSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001670780282 1176837652 /nfs/dbraw/zinc/83/76/52/1176837652.db2.gz SSFRCKYBKAOKDN-QZTJIDSGSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CC1(F)F)c1ccc(C(C)C)cc1 ZINC001691766870 1176840954 /nfs/dbraw/zinc/84/09/54/1176840954.db2.gz FTLBGBCGSGUYAP-HZPDHXFCSA-N 0 3 322.399 3.398 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001752536270 1176888404 /nfs/dbraw/zinc/88/84/04/1176888404.db2.gz SIIITXKMIBGEEL-IXDOHACOSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001691508637 1177028477 /nfs/dbraw/zinc/02/84/77/1177028477.db2.gz CDQUDGNHQLUMQM-UMVBOHGHSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]2CN(CC#CC)CC[C@H]21 ZINC001752704899 1177031314 /nfs/dbraw/zinc/03/13/14/1177031314.db2.gz HOAPXXFNSVRYRB-RTBURBONSA-N 0 3 314.473 3.091 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001670837450 1177219316 /nfs/dbraw/zinc/21/93/16/1177219316.db2.gz MWPOUTSBVVELQN-UHFFFAOYSA-N 0 3 318.848 3.272 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001691541210 1177301168 /nfs/dbraw/zinc/30/11/68/1177301168.db2.gz NTMHUONXJXYMSH-XJKCOSOUSA-N 0 3 324.827 3.166 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001691556625 1177311005 /nfs/dbraw/zinc/31/10/05/1177311005.db2.gz GSBBRLIAMVVOHE-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H](CC)CCCC)CC(C)(C)C1 ZINC001691809411 1177312996 /nfs/dbraw/zinc/31/29/96/1177312996.db2.gz NBZZYHSHZYEEHT-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CC[C@@H](C(=O)NCC1(NC/C=C\Cl)CC1)c1ccccc1 ZINC001670903404 1177524010 /nfs/dbraw/zinc/52/40/10/1177524010.db2.gz JCUYSSASAAZDSD-NCALTVRCSA-N 0 3 318.848 3.337 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1CCCc1ccccc1 ZINC001691652153 1177531818 /nfs/dbraw/zinc/53/18/18/1177531818.db2.gz JKIANEBMTICTMD-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC(C)(C)CC)C1 ZINC001670922267 1177543349 /nfs/dbraw/zinc/54/33/49/1177543349.db2.gz AUPMEMYRPWWJKV-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001671039098 1177578703 /nfs/dbraw/zinc/57/87/03/1177578703.db2.gz KLHRSLDYBMYOAA-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN CC(C)C(=O)NCCCN(Cc1cc(C#N)ccc1F)C(C)C ZINC001691701862 1177846033 /nfs/dbraw/zinc/84/60/33/1177846033.db2.gz SYEMXXXJXHUTRO-UHFFFAOYSA-N 0 3 319.424 3.070 20 30 DGEDHN C/C=C(/C)C(=O)NCCCN(Cc1ccccc1C#N)C(C)C ZINC001691707005 1177849107 /nfs/dbraw/zinc/84/91/07/1177849107.db2.gz DNWRAHAWPOBCKJ-BNCCVWRVSA-N 0 3 313.445 3.241 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)CC1 ZINC001275479879 1177929747 /nfs/dbraw/zinc/92/97/47/1177929747.db2.gz CXSPVFDDVVGCRI-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001275480044 1177930928 /nfs/dbraw/zinc/93/09/28/1177930928.db2.gz FJGXXXCEGJQLGQ-NEPJUHHUSA-N 0 3 309.479 3.099 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)CC2(C)CC2)CC1 ZINC001331045148 1178121693 /nfs/dbraw/zinc/12/16/93/1178121693.db2.gz MXGYKABVXWPXTE-UHFFFAOYSA-N 0 3 324.468 3.151 20 30 DGEDHN CCC(CC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001331390260 1178202102 /nfs/dbraw/zinc/20/21/02/1178202102.db2.gz UCOBNWZQTZPQNK-OAHLLOKOSA-N 0 3 318.436 3.050 20 30 DGEDHN C[C@H](CN(C)C(=O)C#CC(C)(C)C)N[C@H](C)c1ccccc1F ZINC001331440568 1178214898 /nfs/dbraw/zinc/21/48/98/1178214898.db2.gz SVADMHBTXKAEPO-HUUCEWRRSA-N 0 3 318.436 3.373 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001331597975 1178256551 /nfs/dbraw/zinc/25/65/51/1178256551.db2.gz UMLZZVBNKCMHCD-ZIAGYGMSSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001331886332 1178297473 /nfs/dbraw/zinc/29/74/73/1178297473.db2.gz HQIRXXDWNFYGQM-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001331919280 1178308158 /nfs/dbraw/zinc/30/81/58/1178308158.db2.gz PHXGENPYBURYOZ-SUMWQHHRSA-N 0 3 322.399 3.400 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001331974651 1178325118 /nfs/dbraw/zinc/32/51/18/1178325118.db2.gz FNOAIOJEUQUSJY-HOCLYGCPSA-N 0 3 318.848 3.223 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCc3ccc(C)cc3)CCC[C@@H]12 ZINC001332108646 1178361111 /nfs/dbraw/zinc/36/11/11/1178361111.db2.gz CGJDMIPLDLMVSP-TZIWHRDSSA-N 0 3 324.468 3.064 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccsc2)[C@H]1C ZINC001332185225 1178386291 /nfs/dbraw/zinc/38/62/91/1178386291.db2.gz OIQSTJXIVIBKPD-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN Cc1ccc(CN(C)CCN(C(=O)C#CC(C)C)C(C)C)cc1 ZINC001332700026 1178476689 /nfs/dbraw/zinc/47/66/89/1178476689.db2.gz SWVHOJPWFADMLB-UHFFFAOYSA-N 0 3 314.473 3.323 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc2ncccc21)C(C)C ZINC001332720584 1178481927 /nfs/dbraw/zinc/48/19/27/1178481927.db2.gz SJORHIMNRMSWBI-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](F)Cc1ccccc1)C(C)C ZINC001332740140 1178488721 /nfs/dbraw/zinc/48/87/21/1178488721.db2.gz BWOKSZXVXGKVTL-SFHVURJKSA-N 0 3 320.452 3.312 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](OC)C1CCCCC1)C(C)C ZINC001332753835 1178491658 /nfs/dbraw/zinc/49/16/58/1178491658.db2.gz PSZQGPYAFUKIAL-GOSISDBHSA-N 0 3 324.509 3.327 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC001332928811 1178523992 /nfs/dbraw/zinc/52/39/92/1178523992.db2.gz NDAUCXDVRNDNQG-QMTHXVAHSA-N 0 3 311.788 3.068 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CCN(C[C@H](F)CC)CC1 ZINC001332947796 1178527952 /nfs/dbraw/zinc/52/79/52/1178527952.db2.gz AAUQVJTYFIUCMI-NVXWUHKLSA-N 0 3 310.457 3.145 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cc(Cl)cc1C ZINC001333086194 1178552217 /nfs/dbraw/zinc/55/22/17/1178552217.db2.gz ZGCMZPZHTALNBX-UHFFFAOYSA-N 0 3 307.825 3.033 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)CCC3CCCCC3)CC2)CC1 ZINC001333179472 1178567653 /nfs/dbraw/zinc/56/76/53/1178567653.db2.gz IRLJKUFNLNOSJH-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN C[C@@H](O)[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC001333856308 1178685478 /nfs/dbraw/zinc/68/54/78/1178685478.db2.gz KNVIZQBPKPRWBB-CIILZPPKSA-N 0 3 306.409 3.322 20 30 DGEDHN Cc1cc(C#N)cc(C)c1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001334750583 1178789390 /nfs/dbraw/zinc/78/93/90/1178789390.db2.gz FXBDLDGNGBLAQG-OAHLLOKOSA-N 0 3 308.385 3.034 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC001341515659 1179021372 /nfs/dbraw/zinc/02/13/72/1179021372.db2.gz NCODJNATJURZSN-GOSISDBHSA-N 0 3 309.413 3.295 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCc2c(N)cccc2C1 ZINC001341665552 1179045500 /nfs/dbraw/zinc/04/55/00/1179045500.db2.gz GWEZZKZLPNUGGM-GOSISDBHSA-N 0 3 317.477 3.231 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)CCC[C@H]2CC ZINC001341670361 1179045519 /nfs/dbraw/zinc/04/55/19/1179045519.db2.gz RMTFAXQXWZOLAB-NXEZZACHSA-N 0 3 313.854 3.381 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC=CCC2)c1 ZINC001343492205 1179285241 /nfs/dbraw/zinc/28/52/41/1179285241.db2.gz VXAJUEPCLOGQKD-CZUORRHYSA-N 0 3 312.369 3.089 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001343854333 1179338845 /nfs/dbraw/zinc/33/88/45/1179338845.db2.gz YHTQTUVLXCPSDT-BBBLOLIVSA-N 0 3 305.790 3.115 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC001344010929 1179363858 /nfs/dbraw/zinc/36/38/58/1179363858.db2.gz HAHKYCKBKWNSQK-INIZCTEOSA-N 0 3 311.429 3.045 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC001344322195 1179413218 /nfs/dbraw/zinc/41/32/18/1179413218.db2.gz JNMGLSOFZFXVOV-YUMQZZPRSA-N 0 3 320.607 3.224 20 30 DGEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1nc(N)c2ccccc2n1 ZINC001344544760 1179449118 /nfs/dbraw/zinc/44/91/18/1179449118.db2.gz WHUGQJNOYJCOHB-CYBMUJFWSA-N 0 3 322.755 3.355 20 30 DGEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccccc1Cl ZINC001344544300 1179449621 /nfs/dbraw/zinc/44/96/21/1179449621.db2.gz VFAYGLNGDKQFCV-VXGBXAGGSA-N 0 3 302.761 3.344 20 30 DGEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1cccc(F)n1 ZINC001344597944 1179456447 /nfs/dbraw/zinc/45/64/47/1179456447.db2.gz YNRQZXFAETVZSA-GFCCVEGCSA-N 0 3 304.271 3.308 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccc(F)cn1 ZINC001479820224 1179464377 /nfs/dbraw/zinc/46/43/77/1179464377.db2.gz KIVYJZMQWYAQQO-WMLDXEAASA-N 0 3 319.424 3.046 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC001344863103 1179487655 /nfs/dbraw/zinc/48/76/55/1179487655.db2.gz FDUZWQCOXYESQA-HOCLYGCPSA-N 0 3 320.396 3.370 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cccc(Cl)c1 ZINC001344875201 1179490527 /nfs/dbraw/zinc/49/05/27/1179490527.db2.gz PGVYZZWBXSSJEO-AWEZNQCLSA-N 0 3 301.777 3.365 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cccc(Cl)c1 ZINC001344875202 1179490707 /nfs/dbraw/zinc/49/07/07/1179490707.db2.gz PGVYZZWBXSSJEO-CQSZACIVSA-N 0 3 301.777 3.365 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C(C1CCC1)C1CCC1 ZINC001345642025 1179585115 /nfs/dbraw/zinc/58/51/15/1179585115.db2.gz GSXQXPCCZUAOQY-LBPRGKRZSA-N 0 3 305.809 3.466 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001345951336 1179629504 /nfs/dbraw/zinc/62/95/04/1179629504.db2.gz KFBVJFSAMPWJBB-WQGACYEGSA-N 0 3 312.394 3.454 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001346097174 1179653021 /nfs/dbraw/zinc/65/30/21/1179653021.db2.gz ZJFQBCCVFRQVFT-OXFYSEKESA-N 0 3 319.408 3.373 20 30 DGEDHN C[C@@H]1C(=O)CC[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)C1(C)C ZINC001347995441 1179825016 /nfs/dbraw/zinc/82/50/16/1179825016.db2.gz ZPBAQHJGAVRIFS-USWWRNFRSA-N 0 3 320.339 3.177 20 30 DGEDHN C=C(CC(C)C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001349288860 1179887613 /nfs/dbraw/zinc/88/76/13/1179887613.db2.gz WRKGESBZUIODLL-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC001349702698 1179935779 /nfs/dbraw/zinc/93/57/79/1179935779.db2.gz RUFHUBNBHBBDNL-JSGCOSHPSA-N 0 3 313.788 3.370 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)C(C#N)c1ncc(Cl)n1C ZINC001349703110 1179936884 /nfs/dbraw/zinc/93/68/84/1179936884.db2.gz VPTLFTGHTVAHRQ-LBPRGKRZSA-N 0 3 312.760 3.052 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@]23OCCC[C@H]2C3(F)F)C1 ZINC001350161791 1180027719 /nfs/dbraw/zinc/02/77/19/1180027719.db2.gz YFRJUCKDQDDENA-MYBQVCMBSA-N 0 3 318.367 3.014 20 30 DGEDHN CC(C)(C)/C=C\C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100192460 1180434078 /nfs/dbraw/zinc/43/40/78/1180434078.db2.gz DDRDMDHOMOSDQB-QXMHVHEDSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC001353102805 1180463096 /nfs/dbraw/zinc/46/30/96/1180463096.db2.gz SBWFKSDKHWBRGJ-CJNGLKHVSA-N 0 3 314.433 3.060 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100643851 1180885335 /nfs/dbraw/zinc/88/53/35/1180885335.db2.gz QUOBNZTYGQTAFE-KJXMEXGPSA-N 0 3 318.436 3.412 20 30 DGEDHN CN(CCc1nccc(C(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC001355084995 1180985161 /nfs/dbraw/zinc/98/51/61/1180985161.db2.gz ODTSOQMYILFMBL-UHFFFAOYSA-N 0 3 320.318 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC001356499778 1181202935 /nfs/dbraw/zinc/20/29/35/1181202935.db2.gz UKRVFPORBNXKPY-MRXNPFEDSA-N 0 3 312.417 3.111 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC001357504116 1181402786 /nfs/dbraw/zinc/40/27/86/1181402786.db2.gz XTGKIGIWJNDBPC-ZWKOTPCHSA-N 0 3 324.509 3.482 20 30 DGEDHN COC(=O)C[C@H](NCC#Cc1ccccc1Cl)C(C)(C)C ZINC001473826342 1181581992 /nfs/dbraw/zinc/58/19/92/1181581992.db2.gz PEULWXMZUSPGPT-HNNXBMFYSA-N 0 3 307.821 3.259 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001091155456 1181600017 /nfs/dbraw/zinc/60/00/17/1181600017.db2.gz OCGPBQVMWLCCFR-YLZDHBLKSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCCCC1(F)F ZINC001480782496 1181692202 /nfs/dbraw/zinc/69/22/02/1181692202.db2.gz SKLZHAVASOTQJI-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CC1(CC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)CCCCC1 ZINC001447108110 1182183665 /nfs/dbraw/zinc/18/36/65/1182183665.db2.gz SWYGDBPCXXLRRG-HUUCEWRRSA-N 0 3 310.507 3.017 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2ccccc2)CCCC1 ZINC001448881146 1182217524 /nfs/dbraw/zinc/21/75/24/1182217524.db2.gz HDPAXALMXZJMIG-UHFFFAOYSA-N 0 3 314.473 3.465 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001454407763 1182341137 /nfs/dbraw/zinc/34/11/37/1182341137.db2.gz RMXDCBDPEFTLFW-AEFFLSMTSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001456937024 1182437093 /nfs/dbraw/zinc/43/70/93/1182437093.db2.gz UIZABZAVLUOFPC-GOSISDBHSA-N 0 3 317.477 3.074 20 30 DGEDHN N#Cc1cccc(Br)c1N[C@H]1CCN2CCCC[C@@H]12 ZINC001458111455 1182497428 /nfs/dbraw/zinc/49/74/28/1182497428.db2.gz DXSHOBHLLWSNBY-KBPBESRZSA-N 0 3 320.234 3.359 20 30 DGEDHN C#CCN(C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001459346819 1182581960 /nfs/dbraw/zinc/58/19/60/1182581960.db2.gz UBYFJLBAFPKRKX-RTWAWAEBSA-N 0 3 316.404 3.214 20 30 DGEDHN C[C@H](C#N)OCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC001459825710 1182621293 /nfs/dbraw/zinc/62/12/93/1182621293.db2.gz NQPJTYAUMMCSBF-NXEZZACHSA-N 0 3 302.296 3.006 20 30 DGEDHN C=CC[C@@H]1CCCN([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001460362675 1182683683 /nfs/dbraw/zinc/68/36/83/1182683683.db2.gz NSZDQXHDLBYXGE-PBHICJAKSA-N 0 3 302.393 3.219 20 30 DGEDHN C=CCN(CCOc1ccc(F)cc1Cl)[C@H](C)COC ZINC001460408544 1182686582 /nfs/dbraw/zinc/68/65/82/1182686582.db2.gz NJQSVWOIXUDUJU-GFCCVEGCSA-N 0 3 301.789 3.381 20 30 DGEDHN C=CCN(Cc1cnc(N(C)C)c2ccccc12)[C@@H](C)COC ZINC001460409037 1182686820 /nfs/dbraw/zinc/68/68/20/1182686820.db2.gz OLBXPNCZTJRFLT-HNNXBMFYSA-N 0 3 313.445 3.324 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1F ZINC001461252697 1182786249 /nfs/dbraw/zinc/78/62/49/1182786249.db2.gz CPVNNXBNDBXEDW-MSOLQXFVSA-N 0 3 316.351 3.438 20 30 DGEDHN C#Cc1cccc(CNCc2cc3ccc(F)cc3[nH]c2=O)c1 ZINC001461581168 1182831761 /nfs/dbraw/zinc/83/17/61/1182831761.db2.gz LNQNADWLKBMBLW-UHFFFAOYSA-N 0 3 306.340 3.351 20 30 DGEDHN CC1(CN2CCN(c3ccc(F)cc3C#N)CC2)CCCC1 ZINC001462516676 1182962697 /nfs/dbraw/zinc/96/26/97/1182962697.db2.gz NRPZWWSEJSACEO-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC001467768548 1183288009 /nfs/dbraw/zinc/28/80/09/1183288009.db2.gz YJGQYDKTLGVPQW-SFHVURJKSA-N 0 3 315.461 3.028 20 30 DGEDHN C=C1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001468021587 1183304949 /nfs/dbraw/zinc/30/49/49/1183304949.db2.gz XXPKGYPQIXAXIJ-SFHVURJKSA-N 0 3 315.461 3.213 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCCN(CC)C[C@H]1C ZINC001468768633 1183357638 /nfs/dbraw/zinc/35/76/38/1183357638.db2.gz BKFDXDZWGQXJJO-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN C=C1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001469315542 1183400105 /nfs/dbraw/zinc/40/01/05/1183400105.db2.gz DELFABUVRVTGCL-WMZOPIPTSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001470309813 1183477718 /nfs/dbraw/zinc/47/77/18/1183477718.db2.gz GTPJPYFKCVRWGN-INIZCTEOSA-N 0 3 321.440 3.330 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)ccn2)C1(CC)CC ZINC001473244044 1183735038 /nfs/dbraw/zinc/73/50/38/1183735038.db2.gz OGXPMTCRKYOJNC-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN C=CCOCCN1CCc2c(ccc(OC)c2OC)[C@H]1CC ZINC001473611188 1183781470 /nfs/dbraw/zinc/78/14/70/1183781470.db2.gz NYBMDEYHXYZYDR-MRXNPFEDSA-N 0 3 305.418 3.216 20 30 DGEDHN C#C[C@H](C)N(C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001474482142 1183929755 /nfs/dbraw/zinc/92/97/55/1183929755.db2.gz QYUBAWUNUAPZON-AWEZNQCLSA-N 0 3 302.418 3.165 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)C1 ZINC001474760401 1183974904 /nfs/dbraw/zinc/97/49/04/1183974904.db2.gz NOXMBCDLSCTLRD-YEWFCNIMSA-N 0 3 312.413 3.341 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)C1 ZINC001474760400 1183974999 /nfs/dbraw/zinc/97/49/99/1183974999.db2.gz NOXMBCDLSCTLRD-WXSAJPJJSA-N 0 3 312.413 3.341 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001479230035 1184211534 /nfs/dbraw/zinc/21/15/34/1184211534.db2.gz DOCTUWYDNJAQSP-FJIDUMEYSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001479230050 1184212330 /nfs/dbraw/zinc/21/23/30/1184212330.db2.gz DOCTUWYDNJAQSP-XMTFNYHQSA-N 0 3 304.478 3.312 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001479254487 1184219436 /nfs/dbraw/zinc/21/94/36/1184219436.db2.gz NTPXFNFGPLFMLL-MJGOQNOKSA-N 0 3 324.509 3.306 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001479407219 1184248341 /nfs/dbraw/zinc/24/83/41/1184248341.db2.gz LVVWMBXWCNPKKX-KKUMJFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN CC(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001479818355 1184336996 /nfs/dbraw/zinc/33/69/96/1184336996.db2.gz WTUJACZBWXHNDR-RDTXWAMCSA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc2ccccc2c1)C1CC1 ZINC001479880399 1184361555 /nfs/dbraw/zinc/36/15/55/1184361555.db2.gz WZHVONPVCBZBES-UHFFFAOYSA-N 0 3 306.409 3.057 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC001479902297 1184372631 /nfs/dbraw/zinc/37/26/31/1184372631.db2.gz GBGTWFOFMYPDHQ-FQEVSTJZSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001479905669 1184372804 /nfs/dbraw/zinc/37/28/04/1184372804.db2.gz TZVDBHCKCWMOKQ-YWPBOTNQSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001479959641 1184390641 /nfs/dbraw/zinc/39/06/41/1184390641.db2.gz BJMRRSKFUGDBKK-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(F)ccc2F)CC1 ZINC001479993312 1184405812 /nfs/dbraw/zinc/40/58/12/1184405812.db2.gz LVNHYUMFADFRLB-UHFFFAOYSA-N 0 3 322.399 3.467 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C/C=C\Cc1ccccc1 ZINC001480097541 1184434086 /nfs/dbraw/zinc/43/40/86/1184434086.db2.gz GKLNSTSHZLFYFC-JSXPQOMVSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001480121648 1184440704 /nfs/dbraw/zinc/44/07/04/1184440704.db2.gz BXIXRTVRNYBKEP-ODPBWZCHSA-N 0 3 318.848 3.289 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(Cc2cccnc2C)C1 ZINC001480252695 1184471476 /nfs/dbraw/zinc/47/14/76/1184471476.db2.gz AXXNEVXEDHLHIX-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN(CCC(F)(F)F)C2)C1 ZINC001480262718 1184476130 /nfs/dbraw/zinc/47/61/30/1184476130.db2.gz NPONYIUDVXDCOC-ZDUSSCGKSA-N 0 3 318.383 3.123 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001480321020 1184492117 /nfs/dbraw/zinc/49/21/17/1184492117.db2.gz GLLSUWIVZSZEPZ-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](CC)OC1CCCC1 ZINC001480327419 1184494582 /nfs/dbraw/zinc/49/45/82/1184494582.db2.gz FHIYDPUEMKGAIM-AEFFLSMTSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001480357973 1184504678 /nfs/dbraw/zinc/50/46/78/1184504678.db2.gz IZCXFJSYCSTJSS-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCC2CCCC2)C1 ZINC001480385185 1184517106 /nfs/dbraw/zinc/51/71/06/1184517106.db2.gz BISYVQZNXXXCJB-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001480394391 1184520272 /nfs/dbraw/zinc/52/02/72/1184520272.db2.gz QUPNPSDILKJHTE-NRTDQXSISA-N 0 3 324.468 3.349 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001480644167 1184566556 /nfs/dbraw/zinc/56/65/56/1184566556.db2.gz RBPXCSCIEIAARE-GKWYLQRDSA-N 0 3 305.249 3.100 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC001480698879 1184579957 /nfs/dbraw/zinc/57/99/57/1184579957.db2.gz UEROOPUIAINLKW-HUUCEWRRSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(Cl)ccc1F ZINC001480778086 1184605223 /nfs/dbraw/zinc/60/52/23/1184605223.db2.gz NRZKWNVQUZDQKM-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1cccc(F)c1F ZINC001480784577 1184607107 /nfs/dbraw/zinc/60/71/07/1184607107.db2.gz ZUSDIGYNXQTUJJ-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001480784139 1184607288 /nfs/dbraw/zinc/60/72/88/1184607288.db2.gz SKJTYUNBIZLTKM-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccc(CC)cc1 ZINC001493098026 1184647894 /nfs/dbraw/zinc/64/78/94/1184647894.db2.gz HZVGASVRVRMKBY-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1C=CC=CC=C1)c1ccccc1 ZINC001493889646 1184759333 /nfs/dbraw/zinc/75/93/33/1184759333.db2.gz UURMSLSLGVREFD-IBGZPJMESA-N 0 3 308.425 3.308 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@H](CN(C)CCF)C1)c1ccccc1 ZINC001494178181 1184823622 /nfs/dbraw/zinc/82/36/22/1184823622.db2.gz GYWCSRXYNQRJSL-AEFFLSMTSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C ZINC001494640482 1184899179 /nfs/dbraw/zinc/89/91/79/1184899179.db2.gz ZRLMVNBVMBWVTE-ILXRZTDVSA-N 0 3 304.459 3.310 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)C2)CCC1 ZINC001494668581 1184903472 /nfs/dbraw/zinc/90/34/72/1184903472.db2.gz QSASFDIWSOROPE-GQGLESIBSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001494853521 1184944941 /nfs/dbraw/zinc/94/49/41/1184944941.db2.gz FPDRDZVMDBTLLT-LPHOPBHVSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001494873752 1184951271 /nfs/dbraw/zinc/95/12/71/1184951271.db2.gz CGGGJIPGEVZQBD-ROUUACIJSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2cccc3ccccc32)C1 ZINC001494920740 1184962164 /nfs/dbraw/zinc/96/21/64/1184962164.db2.gz ZXIRUKUMMVXDBJ-LJQANCHMSA-N 0 3 322.452 3.491 20 30 DGEDHN C=C[C@H](C(=O)N(CC)[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001494926754 1184964385 /nfs/dbraw/zinc/96/43/85/1184964385.db2.gz YLAVJOXHSCCNDU-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN CCC(CC)C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001494943437 1184968340 /nfs/dbraw/zinc/96/83/40/1184968340.db2.gz RTUKXPKVYGXSHF-SFHVURJKSA-N 0 3 318.436 3.098 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001494948311 1184969402 /nfs/dbraw/zinc/96/94/02/1184969402.db2.gz BUKDSBKXTNGJEH-PKOBYXMFSA-N 0 3 314.473 3.349 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001494954552 1184969952 /nfs/dbraw/zinc/96/99/52/1184969952.db2.gz XNYFDUUPYAOXSW-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@H](CNC(=O)C[C@@H](C)CC)NCC#Cc1ccc(F)cc1 ZINC001494971210 1184973452 /nfs/dbraw/zinc/97/34/52/1184973452.db2.gz RBRNOPMMUSFYGL-MAUKXSAKSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(C)C[N@H+](Cc1ccccc1)Cc1ccccc1-c1nnn[n-]1 ZINC001609051625 1193322253 /nfs/dbraw/zinc/32/22/53/1193322253.db2.gz LAOVCUIDXLRDKL-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccccc1-c1nnn[n-]1 ZINC001609051625 1193322256 /nfs/dbraw/zinc/32/22/56/1193322256.db2.gz LAOVCUIDXLRDKL-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=C(C)C[N@H+](Cc1ccccc1)Cc1ccccc1-c1nn[n-]n1 ZINC001609051625 1193322257 /nfs/dbraw/zinc/32/22/57/1193322257.db2.gz LAOVCUIDXLRDKL-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccccc1-c1nn[n-]n1 ZINC001609051625 1193322260 /nfs/dbraw/zinc/32/22/60/1193322260.db2.gz LAOVCUIDXLRDKL-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)C(C)(F)F)CCCC[C@@H]1C ZINC001495314056 1185027229 /nfs/dbraw/zinc/02/72/29/1185027229.db2.gz OCNCESKQJFNSRV-IINYFYTJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001495339083 1185034253 /nfs/dbraw/zinc/03/42/53/1185034253.db2.gz QFLLEZUOWMTCFN-INIZCTEOSA-N 0 3 316.445 3.190 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001495549267 1185072877 /nfs/dbraw/zinc/07/28/77/1185072877.db2.gz WAVPZUGZQNTOES-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001495734840 1185097094 /nfs/dbraw/zinc/09/70/94/1185097094.db2.gz ROZJNAMJWBDJMM-HNAYVOBHSA-N 0 3 313.445 3.002 20 30 DGEDHN CC(C)[C@H](CNC(=O)C[C@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001496524451 1185207568 /nfs/dbraw/zinc/20/75/68/1185207568.db2.gz VTONKLLAYBXDIC-PMACEKPBSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)C(C)C ZINC001496639805 1185225223 /nfs/dbraw/zinc/22/52/23/1185225223.db2.gz SPDWAIHTHNUXJD-WMLDXEAASA-N 0 3 322.880 3.348 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001496691439 1185233237 /nfs/dbraw/zinc/23/32/37/1185233237.db2.gz BIPDEUROUKNIHN-SFHVURJKSA-N 0 3 316.420 3.007 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](CC)CC1CCCCC1 ZINC001497463201 1185337787 /nfs/dbraw/zinc/33/77/87/1185337787.db2.gz AHRLTJZDATUKNC-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN C[C@@]1(C(=O)NC/C=C\CNCc2ccc(C#N)cc2)CC=CCC1 ZINC001497591085 1185359859 /nfs/dbraw/zinc/35/98/59/1185359859.db2.gz TXHUKJIMSKXBAM-KKHYBRAUSA-N 0 3 323.440 3.067 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001497794309 1185393825 /nfs/dbraw/zinc/39/38/25/1185393825.db2.gz JVOJEHWNLIZFMD-HZPDHXFCSA-N 0 3 318.436 3.098 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1CCC2(CC2)CC1 ZINC001497855810 1185400472 /nfs/dbraw/zinc/40/04/72/1185400472.db2.gz CRQFSWMHKRCJTE-QGZVFWFLSA-N 0 3 324.468 3.103 20 30 DGEDHN CCc1ccc(CN(C)C[C@H](C)NC(=O)C#CC(C)(C)C)cc1 ZINC001498275121 1185461268 /nfs/dbraw/zinc/46/12/68/1185461268.db2.gz BCUOAZWKLXGWCK-INIZCTEOSA-N 0 3 314.473 3.235 20 30 DGEDHN CCc1ccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C)cc1 ZINC001498275122 1185461766 /nfs/dbraw/zinc/46/17/66/1185461766.db2.gz BCUOAZWKLXGWCK-MRXNPFEDSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001498661815 1185530605 /nfs/dbraw/zinc/53/06/05/1185530605.db2.gz ZQVVMMOJBLIDSS-ZFWWWQNUSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCCC(=O)N[C@@H](CN[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC001498736901 1185538303 /nfs/dbraw/zinc/53/83/03/1185538303.db2.gz UWGQJGCDGGWBAM-PXAZEXFGSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CCCc1ccc(C)cc1 ZINC001498986313 1185587329 /nfs/dbraw/zinc/58/73/29/1185587329.db2.gz OQVAHTZFFPBSOJ-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001499022503 1185593179 /nfs/dbraw/zinc/59/31/79/1185593179.db2.gz WZBALMFGVDOLJH-AEFFLSMTSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001499055536 1185600452 /nfs/dbraw/zinc/60/04/52/1185600452.db2.gz GFOIYPPSGUSHPK-SJLPKXTDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001499073338 1185605779 /nfs/dbraw/zinc/60/57/79/1185605779.db2.gz YGFMUDHRWLWQPI-MRXNPFEDSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001499082360 1185607124 /nfs/dbraw/zinc/60/71/24/1185607124.db2.gz TXMUEPMCVYLNLD-ZDUSSCGKSA-N 0 3 322.836 3.119 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccc(Cl)s2)CC1 ZINC001499325192 1185637829 /nfs/dbraw/zinc/63/78/29/1185637829.db2.gz LQUWBKWISOJNBU-UHFFFAOYSA-N 0 3 324.877 3.334 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C\Cl)C1 ZINC001499480084 1185655434 /nfs/dbraw/zinc/65/54/34/1185655434.db2.gz CDXYERHSOBOJAL-KETLTQCKSA-N 0 3 310.869 3.408 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001499480491 1185655543 /nfs/dbraw/zinc/65/55/43/1185655543.db2.gz HHEWTCLIFFTRJF-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C\Cl)C1 ZINC001499479937 1185655819 /nfs/dbraw/zinc/65/58/19/1185655819.db2.gz AXFYHJXLERQNRX-RQJZHBNNSA-N 0 3 322.880 3.101 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001499481109 1185656745 /nfs/dbraw/zinc/65/67/45/1185656745.db2.gz MBFXSIWEFXMXQU-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001499616254 1185678342 /nfs/dbraw/zinc/67/83/42/1185678342.db2.gz MQARUPFWYMYYEA-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001499929861 1185718658 /nfs/dbraw/zinc/71/86/58/1185718658.db2.gz NECHWOSQRGCDSK-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001499985635 1185727859 /nfs/dbraw/zinc/72/78/59/1185727859.db2.gz XLTPRIBQECVFIQ-CMDGGOBGSA-N 0 3 324.468 3.169 20 30 DGEDHN C#CCN(C(=O)/C=C(\C)CC)C1CCN(CC=C(C)C)CC1 ZINC001500037985 1185733393 /nfs/dbraw/zinc/73/33/93/1185733393.db2.gz QGWRUUTYHRSHIV-BMRADRMJSA-N 0 3 302.462 3.235 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C1CCN(CC=C)CC1 ZINC001500059392 1185736167 /nfs/dbraw/zinc/73/61/67/1185736167.db2.gz CBVXJRZYRRJXSZ-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN Cc1cc(C)cc(CN2CC[C@](C)(NC(=O)C#CC(C)C)C2)c1 ZINC001500216219 1185759498 /nfs/dbraw/zinc/75/94/98/1185759498.db2.gz ZNGDAUBDEQIVOV-FQEVSTJZSA-N 0 3 312.457 3.043 20 30 DGEDHN Cc1cc(C)cc(CN2CC[C@@](C)(NC(=O)C#CC(C)C)C2)c1 ZINC001500216220 1185759927 /nfs/dbraw/zinc/75/99/27/1185759927.db2.gz ZNGDAUBDEQIVOV-HXUWFJFHSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc3cnccc3c2)C1 ZINC001500543251 1185818782 /nfs/dbraw/zinc/81/87/82/1185818782.db2.gz VOBKXPYKCRVHAM-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)/C=C(/C)CC)C2)CC1 ZINC001501016083 1185856092 /nfs/dbraw/zinc/85/60/92/1185856092.db2.gz SFVNVAYCBHUIIC-QQSJCBEGSA-N 0 3 316.489 3.317 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)/C=C(/C)CC)C2)CC1 ZINC001501016080 1185856347 /nfs/dbraw/zinc/85/63/47/1185856347.db2.gz SFVNVAYCBHUIIC-AOBSDOCKSA-N 0 3 316.489 3.317 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2ncc(C)s2)C1 ZINC001501050485 1185861794 /nfs/dbraw/zinc/86/17/94/1185861794.db2.gz KJLDHLBKRBKAPM-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2C=CC=CC=C2)cc1 ZINC001501676154 1185919684 /nfs/dbraw/zinc/91/96/84/1185919684.db2.gz HPJGTQMESXHNPC-QGZVFWFLSA-N 0 3 320.436 3.275 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2C=CC=CC=C2)cc1 ZINC001501676153 1185919842 /nfs/dbraw/zinc/91/98/42/1185919842.db2.gz HPJGTQMESXHNPC-KRWDZBQOSA-N 0 3 320.436 3.275 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001501988107 1185944061 /nfs/dbraw/zinc/94/40/61/1185944061.db2.gz CVFDZVQXXLQEBY-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2ncccc2C)CC1 ZINC001502123601 1185956958 /nfs/dbraw/zinc/95/69/58/1185956958.db2.gz AKWKYTRXZBPXBF-KRWDZBQOSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001502707141 1186002865 /nfs/dbraw/zinc/00/28/65/1186002865.db2.gz XJNQZFSXOXWSBN-WCQYABFASA-N 0 3 312.866 3.304 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCCCc2ccccc2)C[C@@H]1C ZINC001502966704 1186031598 /nfs/dbraw/zinc/03/15/98/1186031598.db2.gz FXLIYBUGNOLDMN-PKOBYXMFSA-N 0 3 312.457 3.002 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)CC(F)F ZINC001505414746 1186070907 /nfs/dbraw/zinc/07/09/07/1186070907.db2.gz RYHHEHHFOOKINK-SRCQZFHVSA-N 0 3 322.399 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)c2ccccc2n1 ZINC001505435486 1186079053 /nfs/dbraw/zinc/07/90/53/1186079053.db2.gz IVFWMUSJSQQFTD-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 ZINC001505433588 1186079071 /nfs/dbraw/zinc/07/90/71/1186079071.db2.gz AHVJNNIMAAFMEG-SFHVURJKSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C(C)CCC(=O)NC1CC(CNCc2ccncc2Cl)C1 ZINC001505498799 1186095800 /nfs/dbraw/zinc/09/58/00/1186095800.db2.gz YETDEHMMWIIMNM-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccoc2CCC)C1 ZINC001505529864 1186098272 /nfs/dbraw/zinc/09/82/72/1186098272.db2.gz PRVXZLWJOYWZEQ-UHFFFAOYSA-N 0 3 310.825 3.083 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1F ZINC001505601842 1186111074 /nfs/dbraw/zinc/11/10/74/1186111074.db2.gz BBPZVERBLWHSDQ-CHWSQXEVSA-N 0 3 324.827 3.121 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)Cc2ccc(CF)cc2)C1 ZINC001505997086 1186177614 /nfs/dbraw/zinc/17/76/14/1186177614.db2.gz UZCWJPFIUJZCRU-OAHLLOKOSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001506010964 1186181564 /nfs/dbraw/zinc/18/15/64/1186181564.db2.gz YZALXJHLVGILCA-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN CC(C)C(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001506499894 1186234939 /nfs/dbraw/zinc/23/49/39/1186234939.db2.gz HPMWAMBTRUBBKE-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CSCCC)CCCCC1 ZINC001506506729 1186235939 /nfs/dbraw/zinc/23/59/39/1186235939.db2.gz LAYSZIRCORFWKG-UHFFFAOYSA-N 0 3 318.914 3.291 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC/C=C/c2ccccc2)C(C)(C)C1 ZINC001506746639 1186286343 /nfs/dbraw/zinc/28/63/43/1186286343.db2.gz MTHSHXSHFUKPEC-RXNMKEHESA-N 0 3 312.457 3.493 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001506850916 1186295115 /nfs/dbraw/zinc/29/51/15/1186295115.db2.gz CEBVWRRDNZDVDG-QLFBSQMISA-N 0 3 310.869 3.168 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(F)cc1F ZINC001506947893 1186320552 /nfs/dbraw/zinc/32/05/52/1186320552.db2.gz FTLZQCYTQPZYAU-NSHDSACASA-N 0 3 316.779 3.205 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccc(C)nc1C ZINC001507114870 1186364763 /nfs/dbraw/zinc/36/47/63/1186364763.db2.gz WKSDMMQJKNHSQA-NVXWUHKLSA-N 0 3 317.477 3.237 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001507126013 1186366822 /nfs/dbraw/zinc/36/68/22/1186366822.db2.gz KLUCDBAPMHOIJT-DLBZAZTESA-N 0 3 314.473 3.202 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2ncccc2C)CCC1 ZINC001507121930 1186366880 /nfs/dbraw/zinc/36/68/80/1186366880.db2.gz LXCBYMRHYCPTSK-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(CCC)c(C)s1 ZINC001507156106 1186374891 /nfs/dbraw/zinc/37/48/91/1186374891.db2.gz YKZNRUCJJDOIMC-CYBMUJFWSA-N 0 3 306.475 3.082 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001507312869 1186387985 /nfs/dbraw/zinc/38/79/85/1186387985.db2.gz GMRVEGYKPCSSBU-HOCLYGCPSA-N 0 3 318.848 3.078 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001507322666 1186390119 /nfs/dbraw/zinc/39/01/19/1186390119.db2.gz UEWDDBRDCKUMNX-ZBFHGGJFSA-N 0 3 304.459 3.021 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCC2CCCC2)[C@@H]1C ZINC001507365343 1186404093 /nfs/dbraw/zinc/40/40/93/1186404093.db2.gz FKKSSRVXMKTTGJ-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(CCOCC)CCC2)[C@@H]1C ZINC001507379150 1186409565 /nfs/dbraw/zinc/40/95/65/1186409565.db2.gz ZGXWOPDHXCQPTD-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccc(C)cc2)[C@@H]1C ZINC001507384409 1186412313 /nfs/dbraw/zinc/41/23/13/1186412313.db2.gz QJAZEJXGWCKDIT-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)C1CCC1)Cc1ccccc1 ZINC001507384168 1186412360 /nfs/dbraw/zinc/41/23/60/1186412360.db2.gz DAAJLTSOJQMZJQ-QGZVFWFLSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(C)c(OC)c1)C(C)C ZINC001507819743 1186446238 /nfs/dbraw/zinc/44/62/38/1186446238.db2.gz RYCKUXJMVRINDP-UHFFFAOYSA-N 0 3 318.461 3.362 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc2c(c1)CCC=C2)C(C)C ZINC001507854443 1186450834 /nfs/dbraw/zinc/45/08/34/1186450834.db2.gz IUFBOTJVOFNPFE-UHFFFAOYSA-N 0 3 324.468 3.452 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001508058881 1186473867 /nfs/dbraw/zinc/47/38/67/1186473867.db2.gz IOJQKMUXCODKKW-JTHGQSKGSA-N 0 3 324.468 3.025 20 30 DGEDHN CN(C(=O)C1CCCCC1)C1CC(NCC#Cc2ccccc2)C1 ZINC001508084846 1186479051 /nfs/dbraw/zinc/47/90/51/1186479051.db2.gz APSFTJRJWJHIBO-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001508083496 1186479311 /nfs/dbraw/zinc/47/93/11/1186479311.db2.gz XHOJZBOFYMSGHE-PXNSSMCTSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C2CCN(CC#CC)CC2)CCCC1 ZINC001508089336 1186480448 /nfs/dbraw/zinc/48/04/48/1186480448.db2.gz ISRRHTKWSXCMPB-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H](C)c2ccccc2F)CC1 ZINC001508223823 1186490488 /nfs/dbraw/zinc/49/04/88/1186490488.db2.gz HDLISAVFEUPDNP-HNNXBMFYSA-N 0 3 316.420 3.254 20 30 DGEDHN C=C(CC)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC001521293405 1187011764 /nfs/dbraw/zinc/01/17/64/1187011764.db2.gz DKIYOKPMARSHJC-UHFFFAOYSA-N 0 3 301.434 3.122 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC001521647812 1187036223 /nfs/dbraw/zinc/03/62/23/1187036223.db2.gz VGQRIWLLKJRFKS-QGZVFWFLSA-N 0 3 304.434 3.116 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC001521900982 1187056672 /nfs/dbraw/zinc/05/66/72/1187056672.db2.gz WTBOPPLLSYTQEU-HIFRSBDPSA-N 0 3 302.409 3.322 20 30 DGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC001522843525 1187107648 /nfs/dbraw/zinc/10/76/48/1187107648.db2.gz TXDHLPCUWNAJIY-VOZQYIJBSA-N 0 3 324.211 3.071 20 30 DGEDHN Cc1cc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)ncc1C#N ZINC001613088011 1193467706 /nfs/dbraw/zinc/46/77/06/1193467706.db2.gz MDLJZSXWTAIZMG-MRXNPFEDSA-N 0 3 312.804 3.066 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC001523983152 1187206662 /nfs/dbraw/zinc/20/66/62/1187206662.db2.gz OLDBBGOXDNYBSC-KRWDZBQOSA-N 0 3 313.445 3.069 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCC1(F)F)C(=O)Nc1ccccc1 ZINC001524029597 1187209875 /nfs/dbraw/zinc/20/98/75/1187209875.db2.gz QCYTVOCRPHYHBB-DGCLKSJQSA-N 0 3 306.312 3.159 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CCCO1)c1nccn1Cc1ccccc1 ZINC001524671097 1187258708 /nfs/dbraw/zinc/25/87/08/1187258708.db2.gz BIISRKPSFUIEKV-DLBZAZTESA-N 0 3 323.396 3.067 20 30 DGEDHN CCC#C[C@H](C)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001615935732 1193531235 /nfs/dbraw/zinc/53/12/35/1193531235.db2.gz WFOCEQMXUPTLIS-ZDUSSCGKSA-N 0 3 304.459 3.053 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H]1Cc2cc(OC)ccc2O1 ZINC001616682736 1193544880 /nfs/dbraw/zinc/54/48/80/1193544880.db2.gz AQBUQJDFLDEKHM-GOSISDBHSA-N 0 3 313.397 3.322 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001616682976 1193544939 /nfs/dbraw/zinc/54/49/39/1193544939.db2.gz CUJMOIJNSDXGSQ-QZTJIDSGSA-N 0 3 305.418 3.038 20 30 DGEDHN C#CCN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001617792170 1193581065 /nfs/dbraw/zinc/58/10/65/1193581065.db2.gz OOQIVWGRMJZKNQ-UHFFFAOYSA-N 0 3 324.380 3.499 20 30 DGEDHN CC(C)(C)CC(C)(C)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001559189906 1189179220 /nfs/dbraw/zinc/17/92/20/1189179220.db2.gz FOXJSGMBECNWRK-UHFFFAOYSA-N 0 3 318.440 3.429 20 30 DGEDHN C#CCCCCCCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC001559869476 1189252374 /nfs/dbraw/zinc/25/23/74/1189252374.db2.gz VCWSHAGLSCQHDH-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN CN1CCN(Cc2ccc(C#N)cc2Cl)C[C@H]1C(C)(C)C ZINC001559956505 1189262669 /nfs/dbraw/zinc/26/26/69/1189262669.db2.gz XVWHZGYTEMXMNU-INIZCTEOSA-N 0 3 305.853 3.374 20 30 DGEDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@H](O)c2cccc(C#N)c2)C1 ZINC001559972489 1189265300 /nfs/dbraw/zinc/26/53/00/1189265300.db2.gz PQINGLRNKJBKAD-VQTJNVASSA-N 0 3 324.399 3.394 20 30 DGEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cc2cnccc2o1 ZINC001560094274 1189278080 /nfs/dbraw/zinc/27/80/80/1189278080.db2.gz QMIQIOHYOADJFY-WBMJQRKESA-N 0 3 307.353 3.084 20 30 DGEDHN C#CCN(Cc1cn(C)nc1C1CCOCC1)C1CCCCC1 ZINC001560657656 1189357155 /nfs/dbraw/zinc/35/71/55/1189357155.db2.gz UOCZPHOEJZDSLP-UHFFFAOYSA-N 0 3 315.461 3.082 20 30 DGEDHN CSC(C)(C)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC001560697840 1189361918 /nfs/dbraw/zinc/36/19/18/1189361918.db2.gz QEHFNBAUPMOVGU-UHFFFAOYSA-N 0 3 321.465 3.351 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001560701499 1189362748 /nfs/dbraw/zinc/36/27/48/1189362748.db2.gz AQNARRJEUATHCD-RBSFLKMASA-N 0 3 309.454 3.256 20 30 DGEDHN C[C@@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CCOCC1 ZINC001561044655 1189425651 /nfs/dbraw/zinc/42/56/51/1189425651.db2.gz JQEMNMGMXOFIMM-HNNXBMFYSA-N 0 3 311.429 3.399 20 30 DGEDHN CC(C)CCOC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001561113900 1189431857 /nfs/dbraw/zinc/43/18/57/1189431857.db2.gz DFTUCRRTFRIWFG-UHFFFAOYSA-N 0 3 317.433 3.105 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](F)c1ccccc1 ZINC001565828452 1189680943 /nfs/dbraw/zinc/68/09/43/1189680943.db2.gz ONTYZPQECKCZHM-IAGOWNOFSA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001565830462 1189682238 /nfs/dbraw/zinc/68/22/38/1189682238.db2.gz WCAKENFHZDONNO-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CCCCC1 ZINC001565836124 1189685895 /nfs/dbraw/zinc/68/58/95/1189685895.db2.gz CLGSSNLXZMNTTF-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccccc2Cl)[C@H]1C ZINC001566092040 1189732120 /nfs/dbraw/zinc/73/21/20/1189732120.db2.gz OYELADXPPMMEOK-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001566126927 1189742337 /nfs/dbraw/zinc/74/23/37/1189742337.db2.gz FPGYNDVVBRLOHN-CYBMUJFWSA-N 0 3 321.490 3.130 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001566337676 1189763460 /nfs/dbraw/zinc/76/34/60/1189763460.db2.gz ANQDBXHOQHICFF-NUJGCVRESA-N 0 3 300.446 3.368 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cnccc1C)C1CC1 ZINC001566594446 1189813182 /nfs/dbraw/zinc/81/31/82/1189813182.db2.gz UIMKRRHVOAKWJX-UHFFFAOYSA-N 0 3 315.461 3.073 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001566622155 1189829536 /nfs/dbraw/zinc/82/95/36/1189829536.db2.gz OKAPFSVRXLOLFI-LJQANCHMSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cc3occc3s2)C1 ZINC001566674067 1189853158 /nfs/dbraw/zinc/85/31/58/1189853158.db2.gz CGFGFKWCMKOQQM-LBPRGKRZSA-N 0 3 304.415 3.265 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](OC)C2CCC2)CC1 ZINC001566699738 1189864261 /nfs/dbraw/zinc/86/42/61/1189864261.db2.gz LLIWUFRFPAXWIS-GOSISDBHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(F)cc2F)CC1 ZINC001566699819 1189864951 /nfs/dbraw/zinc/86/49/51/1189864951.db2.gz RZBNSHMWTXYMRZ-UHFFFAOYSA-N 0 3 322.399 3.467 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](OCC)C(C)C ZINC001566753029 1189890828 /nfs/dbraw/zinc/89/08/28/1189890828.db2.gz XBIAFHOHZQFRTM-KSZLIROESA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001566820741 1189913631 /nfs/dbraw/zinc/91/36/31/1189913631.db2.gz ZXETWXRKFYTANY-CYAJLKFBSA-N 0 3 310.869 3.453 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001566820742 1189913820 /nfs/dbraw/zinc/91/38/20/1189913820.db2.gz ZXETWXRKFYTANY-IPYJXSJYSA-N 0 3 310.869 3.453 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001566836067 1189918763 /nfs/dbraw/zinc/91/87/63/1189918763.db2.gz VEYRVWMZZKFILC-BETUJISGSA-N 0 3 324.877 3.332 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001566873507 1189933591 /nfs/dbraw/zinc/93/35/91/1189933591.db2.gz HDTCJUANUPHEJR-CYBMUJFWSA-N 0 3 306.372 3.123 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001566872291 1189934108 /nfs/dbraw/zinc/93/41/08/1189934108.db2.gz VTRPZFXGMSRCCS-KRWDZBQOSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001566881040 1189938483 /nfs/dbraw/zinc/93/84/83/1189938483.db2.gz JXHCZJPUSQXJJT-IEBWSBKVSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001566882491 1189938919 /nfs/dbraw/zinc/93/89/19/1189938919.db2.gz PTZSFMHRAAMANC-QGZVFWFLSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001566924474 1189954849 /nfs/dbraw/zinc/95/48/49/1189954849.db2.gz OVCIOTNRZGDVKY-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC001567011573 1189993656 /nfs/dbraw/zinc/99/36/56/1189993656.db2.gz JDCWVUOJMKZLLG-ZIAGYGMSSA-N 0 3 306.837 3.299 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001567069995 1190018721 /nfs/dbraw/zinc/01/87/21/1190018721.db2.gz RWTBNHWPEKZGJM-KBPBESRZSA-N 0 3 321.490 3.286 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC(C)(C)CC(F)F)C1 ZINC001567195875 1190062687 /nfs/dbraw/zinc/06/26/87/1190062687.db2.gz VDFOGAIYANETNX-AWEZNQCLSA-N 0 3 314.420 3.004 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001567195452 1190062702 /nfs/dbraw/zinc/06/27/02/1190062702.db2.gz PPTULYSKKQRJLZ-MRXNPFEDSA-N 0 3 323.440 3.036 20 30 DGEDHN C[C@H](CCNC(=O)CC1CCCC1)NCc1ccccc1C#N ZINC001567205924 1190069140 /nfs/dbraw/zinc/06/91/40/1190069140.db2.gz MHWHAWXVVCIJEQ-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCNC(=O)CC(C)=C(C)C ZINC001567225957 1190079338 /nfs/dbraw/zinc/07/93/38/1190079338.db2.gz CAICWYJBFSXWCM-ZDUSSCGKSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cncc2sccc21 ZINC001567227929 1190081508 /nfs/dbraw/zinc/08/15/08/1190081508.db2.gz ZHRLRPREBXVVNY-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccsc1Cl ZINC001567231653 1190083150 /nfs/dbraw/zinc/08/31/50/1190083150.db2.gz MUWDXLQBWSPXSM-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2cc(C)no2)CCCC1 ZINC001567241995 1190087588 /nfs/dbraw/zinc/08/75/88/1190087588.db2.gz QRNAYSVRQPUXEN-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC=CCC1 ZINC001567245376 1190089699 /nfs/dbraw/zinc/08/96/99/1190089699.db2.gz YKCNGRRJAZQYJQ-JKSUJKDBSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC12CCC2 ZINC001567259402 1190098851 /nfs/dbraw/zinc/09/88/51/1190098851.db2.gz DPIZRVQIUOEATJ-HUUCEWRRSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001567296809 1190115007 /nfs/dbraw/zinc/11/50/07/1190115007.db2.gz AFYNOVUXFUDTRR-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001567299721 1190118567 /nfs/dbraw/zinc/11/85/67/1190118567.db2.gz NLNZUSNIXCZJAD-KSSFIOAISA-N 0 3 318.436 3.463 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc(C)c(C)c2)C1 ZINC001567302830 1190119192 /nfs/dbraw/zinc/11/91/92/1190119192.db2.gz QGJKMNBYMDYWJD-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2c(s1)CCCCC2 ZINC001567316655 1190128290 /nfs/dbraw/zinc/12/82/90/1190128290.db2.gz MQKQGGXCCAIRHH-UHFFFAOYSA-N 0 3 306.475 3.255 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001567405182 1190173864 /nfs/dbraw/zinc/17/38/64/1190173864.db2.gz BJSBZFVGTALPMM-OAHLLOKOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC001567448715 1190198545 /nfs/dbraw/zinc/19/85/45/1190198545.db2.gz RNMFUJSBFGKEIV-ZDUSSCGKSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2ccccc2C)CCC1)C1CC1 ZINC001567453349 1190202515 /nfs/dbraw/zinc/20/25/15/1190202515.db2.gz BDJAWRJNXJGNLE-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](F)CC)c1ccc(C(C)C)cc1 ZINC001567654343 1190238792 /nfs/dbraw/zinc/23/87/92/1190238792.db2.gz OXTGAVHZOBGCKC-QZTJIDSGSA-N 0 3 318.436 3.328 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cncc(C)c1)c1ccccc1 ZINC001567658114 1190239698 /nfs/dbraw/zinc/23/96/98/1190239698.db2.gz YEJYAYVQJVNEIV-SFHVURJKSA-N 0 3 309.413 3.027 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H](N(CCC)C(=O)c2ccns2)C1 ZINC001567685289 1190252462 /nfs/dbraw/zinc/25/24/62/1190252462.db2.gz VUEZDBBRWLZVJH-CABCVRRESA-N 0 3 321.490 3.424 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)c2ccsc2)C1 ZINC001567689365 1190254602 /nfs/dbraw/zinc/25/46/02/1190254602.db2.gz VBIYZPPULWOLPW-WBVHZDCISA-N 0 3 318.486 3.188 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)C=C(C)C)C1 ZINC001567745409 1190283992 /nfs/dbraw/zinc/28/39/92/1190283992.db2.gz OMNKMEZLNFMVEB-FQEVSTJZSA-N 0 3 324.468 3.469 20 30 DGEDHN CC(C)c1ccccc1CN1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001567762989 1190291168 /nfs/dbraw/zinc/29/11/68/1190291168.db2.gz XCPPSTYZWGIOGE-LJQANCHMSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC001567767254 1190291940 /nfs/dbraw/zinc/29/19/40/1190291940.db2.gz LMEWSNNTPHPGHS-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCc1ccccc1 ZINC001567854993 1190323637 /nfs/dbraw/zinc/32/36/37/1190323637.db2.gz POVSMUBTWSPHHH-PMACEKPBSA-N 0 3 324.468 3.098 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001567924877 1190355752 /nfs/dbraw/zinc/35/57/52/1190355752.db2.gz HPEKUPAPEZNQPT-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001567941628 1190367908 /nfs/dbraw/zinc/36/79/08/1190367908.db2.gz FBZZASRALXIGSJ-HZPDHXFCSA-N 0 3 304.434 3.190 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)N[C@@H](C)c1ccccc1F ZINC001567960204 1190377333 /nfs/dbraw/zinc/37/73/33/1190377333.db2.gz XEGZJNKJVQYDCW-GJZGRUSLSA-N 0 3 304.409 3.175 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)C1CC1)NCc1ccc(C#N)s1 ZINC001567973490 1190382960 /nfs/dbraw/zinc/38/29/60/1190382960.db2.gz HPVLYXGLXQIOCL-ZDUSSCGKSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(F)cc2)CCCC1 ZINC001567992032 1190390863 /nfs/dbraw/zinc/39/08/63/1190390863.db2.gz LLXDLXOXMQZQJL-UHFFFAOYSA-N 0 3 310.800 3.210 20 30 DGEDHN O=C(CCCC1CC1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001568144375 1190434108 /nfs/dbraw/zinc/43/41/08/1190434108.db2.gz BBHQJPBGNQITSZ-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001568274627 1190470590 /nfs/dbraw/zinc/47/05/90/1190470590.db2.gz NZADFYRDCYKMLM-LLVKDONJSA-N 0 3 307.265 3.344 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2cc(C)ccc2F)C1 ZINC001568298261 1190478555 /nfs/dbraw/zinc/47/85/55/1190478555.db2.gz MGKHMZMGUZBFHG-OAHLLOKOSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CCNCc1conc1C ZINC001568385875 1190507941 /nfs/dbraw/zinc/50/79/41/1190507941.db2.gz PGZRVLVPLCLQHW-KRWDZBQOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001568493436 1190545469 /nfs/dbraw/zinc/54/54/69/1190545469.db2.gz STURAZICCAJJLM-KRWDZBQOSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC001568528493 1190559840 /nfs/dbraw/zinc/55/98/40/1190559840.db2.gz NDZKFHKXXILUJG-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Cc1ccccc1C ZINC001568554376 1190564711 /nfs/dbraw/zinc/56/47/11/1190564711.db2.gz QBLFOWDUPRPOPX-KRWDZBQOSA-N 0 3 302.462 3.140 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCNCc1cc(F)ccc1Cl ZINC001568626187 1190570651 /nfs/dbraw/zinc/57/06/51/1190570651.db2.gz HTCJGVGBVJKWJH-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1sccc1Cl ZINC001568634072 1190571660 /nfs/dbraw/zinc/57/16/60/1190571660.db2.gz 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C#CCCCC(=O)NCC1(NCc2ccc(Cl)cc2C)CC1 ZINC001569397789 1190691187 /nfs/dbraw/zinc/69/11/87/1190691187.db2.gz GTFIIQVSYBSXQP-UHFFFAOYSA-N 0 3 318.848 3.190 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001569402057 1190691743 /nfs/dbraw/zinc/69/17/43/1190691743.db2.gz PDHCVORBSIBNEU-CQSZACIVSA-N 0 3 304.409 3.481 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 ZINC001569430580 1190696847 /nfs/dbraw/zinc/69/68/47/1190696847.db2.gz IFEQJQQIUHCNBH-WMZOPIPTSA-N 0 3 312.457 3.078 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C=C(C)C)CC1 ZINC001569450392 1190700744 /nfs/dbraw/zinc/70/07/44/1190700744.db2.gz DKNXQCIAWARFOX-UHFFFAOYSA-N 0 3 310.869 3.408 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCCC[C@H]1CC)C1CCN(CC=C)CC1 ZINC001569595049 1190720911 /nfs/dbraw/zinc/72/09/11/1190720911.db2.gz BJSDNZZTPKGXAK-MJGOQNOKSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H](C)CC)C2 ZINC001569622506 1190725372 /nfs/dbraw/zinc/72/53/72/1190725372.db2.gz QWYSYHFZIHDBEQ-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCCCN1CC[C@@](C)(NC(=O)c2nccs2)C1 ZINC001569649334 1190733637 /nfs/dbraw/zinc/73/36/37/1190733637.db2.gz FZMOHFBUOJGVRF-MRXNPFEDSA-N 0 3 307.463 3.084 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001569651702 1190734077 /nfs/dbraw/zinc/73/40/77/1190734077.db2.gz VAMHGVVSDMSXPM-QRWLVFNGSA-N 0 3 324.424 3.140 20 30 DGEDHN C=CCCC(=O)NC[C@]1(C)CCCN(Cc2ncccc2C)C1 ZINC001569711548 1190745608 /nfs/dbraw/zinc/74/56/08/1190745608.db2.gz FAFUCZQXLNVZBD-IBGZPJMESA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001569710453 1190745833 /nfs/dbraw/zinc/74/58/33/1190745833.db2.gz TXVKTVWZOBRQME-LJQANCHMSA-N 0 3 316.445 3.190 20 30 DGEDHN C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001569710453 1190745834 /nfs/dbraw/zinc/74/58/34/1190745834.db2.gz TXVKTVWZOBRQME-LJQANCHMSA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](CC)CC(F)F)C1 ZINC001569715747 1190747130 /nfs/dbraw/zinc/74/71/30/1190747130.db2.gz QFVOEELOPFZBOW-XJKSGUPXSA-N 0 3 302.409 3.072 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccccc2CC)C1 ZINC001569719743 1190748630 /nfs/dbraw/zinc/74/86/30/1190748630.db2.gz NQIRPSAQJVBZJE-HXUWFJFHSA-N 0 3 312.457 3.104 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001569722311 1190749157 /nfs/dbraw/zinc/74/91/57/1190749157.db2.gz JFWPEIDWKPWQJN-PKOBYXMFSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001569738863 1190752850 /nfs/dbraw/zinc/75/28/50/1190752850.db2.gz KEFIWMNWKFGAPM-CYBMUJFWSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC(F)(F)F)c1ccccc1CC ZINC001569799338 1190754801 /nfs/dbraw/zinc/75/48/01/1190754801.db2.gz CLRLMXOBFHLNHC-AWEZNQCLSA-N 0 3 314.351 3.134 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001569811010 1190757903 /nfs/dbraw/zinc/75/79/03/1190757903.db2.gz LICVSVMLMSCOGJ-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC1CC(C)(C)C1 ZINC001569870202 1190767610 /nfs/dbraw/zinc/76/76/10/1190767610.db2.gz OLBNBQZPPLPRMV-UHFFFAOYSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CCCCCCCC)C[C@@H]2C1 ZINC001569881474 1190769573 /nfs/dbraw/zinc/76/95/73/1190769573.db2.gz FJGHCJIMVQCLPE-GBESFXJTSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CCNCc2nc(C)cs2)C1 ZINC001569984912 1190779167 /nfs/dbraw/zinc/77/91/67/1190779167.db2.gz HWJIMSPYFRBMFQ-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(C2CC2)C2CC2)cc1 ZINC001570032768 1190785157 /nfs/dbraw/zinc/78/51/57/1190785157.db2.gz CINVMYQDEXHTDQ-OAHLLOKOSA-N 0 3 324.468 3.413 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)CC)cc1 ZINC001570030947 1190785365 /nfs/dbraw/zinc/78/53/65/1190785365.db2.gz FECYRUFQLLXTEP-HNNXBMFYSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@H](C)C3CCC3)cccc2C1 ZINC001570078066 1190791726 /nfs/dbraw/zinc/79/17/26/1190791726.db2.gz KUDUSVVUUJWWKI-MRXNPFEDSA-N 0 3 324.468 3.120 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC001570183924 1190810346 /nfs/dbraw/zinc/81/03/46/1190810346.db2.gz UDRSGUJYDKPNPS-RTBURBONSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)C[C@@H](C)OC)cc2C1 ZINC001570311311 1190837005 /nfs/dbraw/zinc/83/70/05/1190837005.db2.gz TWRAMFPKTBQBPY-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)Cc3ccco3)cc2C1 ZINC001570313635 1190838442 /nfs/dbraw/zinc/83/84/42/1190838442.db2.gz FWDANELMMHZXCD-UHFFFAOYSA-N 0 3 310.397 3.030 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001570335097 1190839936 /nfs/dbraw/zinc/83/99/36/1190839936.db2.gz UEUDELAMEQWZSX-XJKSGUPXSA-N 0 3 306.837 3.243 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C[C@H]1C ZINC001570444098 1190860608 /nfs/dbraw/zinc/86/06/08/1190860608.db2.gz BMJQNFKLXLJDNR-DKVQLLHESA-N 0 3 310.441 3.082 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)c1ccc[nH]1 ZINC001570476757 1190866881 /nfs/dbraw/zinc/86/68/81/1190866881.db2.gz KKKFHDKGFRODDX-LJQANCHMSA-N 0 3 323.440 3.310 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CN(C)C[C@H]1CCCCO1 ZINC001570532653 1190878361 /nfs/dbraw/zinc/87/83/61/1190878361.db2.gz KZMQNEADGIHPOC-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccccc2CC)C1 ZINC001570564796 1190888698 /nfs/dbraw/zinc/88/86/98/1190888698.db2.gz KIHZGJKAWOAAAU-UHFFFAOYSA-N 0 3 320.864 3.028 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CC(CNCc2cc(F)ccc2F)C1 ZINC001570569827 1190889966 /nfs/dbraw/zinc/88/99/66/1190889966.db2.gz ZNAFKDRIGSTBLU-UHFFFAOYSA-N 0 3 322.399 3.161 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)c(C)o1 ZINC001570672632 1190915134 /nfs/dbraw/zinc/91/51/34/1190915134.db2.gz DYSBKRBQLLWVOK-UHFFFAOYSA-N 0 3 312.841 3.337 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001570690877 1190917935 /nfs/dbraw/zinc/91/79/35/1190917935.db2.gz GIYGSDFSNPFYAI-GUWHFVFCSA-N 0 3 324.896 3.105 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC001570706541 1190924940 /nfs/dbraw/zinc/92/49/40/1190924940.db2.gz POCXAPSTGAQWOS-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001570711340 1190926259 /nfs/dbraw/zinc/92/62/59/1190926259.db2.gz ZATBQQKOEBUQQJ-UAGQMJEPSA-N 0 3 300.446 3.049 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001570728312 1190932230 /nfs/dbraw/zinc/93/22/30/1190932230.db2.gz MQZISQVDKUPAFC-INIZCTEOSA-N 0 3 313.445 3.241 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001570729998 1190933530 /nfs/dbraw/zinc/93/35/30/1190933530.db2.gz HFYYPSQZLFMFKC-DEQJRXDXSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001570728599 1190933647 /nfs/dbraw/zinc/93/36/47/1190933647.db2.gz SFDICWHVMMHICT-SUMWQHHRSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001570731120 1190934640 /nfs/dbraw/zinc/93/46/40/1190934640.db2.gz BWCQPEYPBWUYJM-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001570823043 1190958865 /nfs/dbraw/zinc/95/88/65/1190958865.db2.gz PUUVKYBKVOGZGO-CQSZACIVSA-N 0 3 314.420 3.052 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCCc2ccsc2)C1 ZINC001570843485 1190964131 /nfs/dbraw/zinc/96/41/31/1190964131.db2.gz JJQQUYZARDQLRO-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001571118814 1190983015 /nfs/dbraw/zinc/98/30/15/1190983015.db2.gz ZNRXNPCQCFDULI-RBSFLKMASA-N 0 3 310.869 3.194 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001571227577 1190986675 /nfs/dbraw/zinc/98/66/75/1190986675.db2.gz ZWKHMJFGWOLUJO-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H](C)CCCNCc1ccc(C#N)cc1F ZINC001571227575 1190986960 /nfs/dbraw/zinc/98/69/60/1190986960.db2.gz ZWKHMJFGWOLUJO-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(F)ccc1C ZINC001571292081 1190989775 /nfs/dbraw/zinc/98/97/75/1190989775.db2.gz IRHWHVAFNDITEB-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(F)ccc1C ZINC001571292080 1190989872 /nfs/dbraw/zinc/98/98/72/1190989872.db2.gz IRHWHVAFNDITEB-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](F)c1ccccc1 ZINC001571315717 1190991619 /nfs/dbraw/zinc/99/16/19/1190991619.db2.gz WXJUSMRWAYGXQY-UKRRQHHQSA-N 0 3 312.816 3.324 20 30 DGEDHN C=CC[NH2+]CCC[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001571346566 1190997592 /nfs/dbraw/zinc/99/75/92/1190997592.db2.gz ZTUPOLYFIDXSCF-GOSISDBHSA-N 0 3 324.424 3.419 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001571355899 1191001060 /nfs/dbraw/zinc/00/10/60/1191001060.db2.gz ITTGFPXIOTYKCJ-WMLDXEAASA-N 0 3 316.445 3.187 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc(C2CCCC2)c1 ZINC001571413541 1191018720 /nfs/dbraw/zinc/01/87/20/1191018720.db2.gz VVXUKEYPHMQRII-INIZCTEOSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2c(C)nsc2C)[C@H]1C ZINC001571456741 1191023138 /nfs/dbraw/zinc/02/31/38/1191023138.db2.gz JGTPIJGVCPCWKF-CZUORRHYSA-N 0 3 321.490 3.195 20 30 DGEDHN CCC(=CC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C)CC ZINC001571475977 1191027336 /nfs/dbraw/zinc/02/73/36/1191027336.db2.gz XUTYWTBPGHGLSF-YLJYHZDGSA-N 0 3 324.468 3.364 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC001571483944 1191028254 /nfs/dbraw/zinc/02/82/54/1191028254.db2.gz YEJZYXWOMILWND-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@H]1C ZINC001571485314 1191029215 /nfs/dbraw/zinc/02/92/15/1191029215.db2.gz PSECMOADMOBRQO-CXAGYDPISA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC001571514467 1191036929 /nfs/dbraw/zinc/03/69/29/1191036929.db2.gz GKMVWAXJGJIHKH-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(COC)CCCCC2)[C@@H]1C ZINC001571518544 1191040148 /nfs/dbraw/zinc/04/01/48/1191040148.db2.gz GQAVAXAUUXJJOP-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CC2(c3ccccc3)CC2)[C@H]1C ZINC001571518454 1191040552 /nfs/dbraw/zinc/04/05/52/1191040552.db2.gz FSNVEISVNWKBQJ-SJLPKXTDSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001571518909 1191040563 /nfs/dbraw/zinc/04/05/63/1191040563.db2.gz LKYRBVKDKZCRQR-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001571521335 1191041342 /nfs/dbraw/zinc/04/13/42/1191041342.db2.gz QHOHYEXZAXGVLR-PKOBYXMFSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2nccs2)C1 ZINC001571544476 1191048383 /nfs/dbraw/zinc/04/83/83/1191048383.db2.gz OFRDEXVZALBIKS-KBPBESRZSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)C(C)C ZINC001571615083 1191059739 /nfs/dbraw/zinc/05/97/39/1191059739.db2.gz FHDRAKSKGYAJFN-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN CCCC(=O)N[C@H](CNCc1cc(C#N)ccc1F)C(C)(C)C ZINC001571617204 1191063889 /nfs/dbraw/zinc/06/38/89/1191063889.db2.gz YACFJPGNZLVTQN-MRXNPFEDSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC(C)(C)CC)CC2)CC1 ZINC001571668708 1191080325 /nfs/dbraw/zinc/08/03/25/1191080325.db2.gz AQKQJECDVAPSNI-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC3(C)CCCC3)CC2)CC1 ZINC001571669347 1191081160 /nfs/dbraw/zinc/08/11/60/1191081160.db2.gz YEMWITNFSYWYGS-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC(C)(C)C3CC3)CC2)CC1 ZINC001571669095 1191081222 /nfs/dbraw/zinc/08/12/22/1191081222.db2.gz ODSVXDIJEPMPHI-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001574851953 1191453761 /nfs/dbraw/zinc/45/37/61/1191453761.db2.gz MHQVXZDTYPCOCX-ZIAGYGMSSA-N 0 3 320.820 3.019 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC001574856697 1191454798 /nfs/dbraw/zinc/45/47/98/1191454798.db2.gz FKUIMHFRXXTSAO-GFCCVEGCSA-N 0 3 307.806 3.219 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001574899630 1191456662 /nfs/dbraw/zinc/45/66/62/1191456662.db2.gz DEQFFUADFQRUFP-KRWDZBQOSA-N 0 3 315.461 3.165 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC001574903328 1191458020 /nfs/dbraw/zinc/45/80/20/1191458020.db2.gz PBQUCQOHQYXTLU-WCQYABFASA-N 0 3 303.431 3.157 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC001574902595 1191458142 /nfs/dbraw/zinc/45/81/42/1191458142.db2.gz CXTARPWECGFFTR-BDAKNGLRSA-N 0 3 321.368 3.023 20 30 DGEDHN CC#CC[C@H](N)C(=O)N(Cc1cccc(Cl)c1)CC(C)C ZINC001574962152 1191461103 /nfs/dbraw/zinc/46/11/03/1191461103.db2.gz GHGGDHVKINYNNQ-INIZCTEOSA-N 0 3 306.837 3.065 20 30 DGEDHN CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1C#N ZINC001575813048 1191508878 /nfs/dbraw/zinc/50/88/78/1191508878.db2.gz MYJPCVYXLPAHNS-UHFFFAOYSA-N 0 3 321.380 3.201 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C2CCCC2)C1 ZINC001618678207 1193747669 /nfs/dbraw/zinc/74/76/69/1193747669.db2.gz VTDOESWLOHMAEQ-YOEHRIQHSA-N 0 3 311.429 3.397 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/CCc1ccccc1 ZINC001618814248 1193753383 /nfs/dbraw/zinc/75/33/83/1193753383.db2.gz QWJZUTLVNVJZRS-GXDHUFHOSA-N 0 3 300.446 3.142 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CCCC2)C1 ZINC001620670930 1193789700 /nfs/dbraw/zinc/78/97/00/1193789700.db2.gz AYDFZHQUDDUUOE-SUMDDJOVSA-N 0 3 319.493 3.332 20 30 DGEDHN COc1ccc2c(c1)CC[C@@H](NCc1cccc(F)c1C#N)C2 ZINC001621198576 1193816231 /nfs/dbraw/zinc/81/62/31/1193816231.db2.gz KEEKLUOATLVPLG-MRXNPFEDSA-N 0 3 310.372 3.353 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H](CC)[C@@H](O)C(C)C ZINC001621393391 1193836764 /nfs/dbraw/zinc/83/67/64/1193836764.db2.gz VWCCKIAWCPXZOU-WBVHZDCISA-N 0 3 309.837 3.237 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCC2(C#N)CCCC2)C1(C)C ZINC001621420446 1193841110 /nfs/dbraw/zinc/84/11/10/1193841110.db2.gz PTIHUWGVHSIGAH-KBPBESRZSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCC[C@H](CCC)NCc1c(Br)cnn1C ZINC001621477523 1193848200 /nfs/dbraw/zinc/84/82/00/1193848200.db2.gz RYCSJPFKMOXNAT-NSHDSACASA-N 0 3 300.244 3.407 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001627380394 1194125181 /nfs/dbraw/zinc/12/51/81/1194125181.db2.gz AOTLLBWYVXJGNH-UHFFFAOYSA-N 0 3 306.425 3.318 20 30 DGEDHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc(C)c1C#N ZINC001628614381 1194188050 /nfs/dbraw/zinc/18/80/50/1194188050.db2.gz USXNLFZNGCFVTQ-IBGZPJMESA-N 0 3 321.424 3.208 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC001628634991 1194189147 /nfs/dbraw/zinc/18/91/47/1194189147.db2.gz RZJJDBAFZPYFTI-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccccc1-c1ccccc1C ZINC001628819638 1194198119 /nfs/dbraw/zinc/19/81/19/1194198119.db2.gz FCQCMXZIOYDPQX-UHFFFAOYSA-N 0 3 320.436 3.347 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001631850997 1194358707 /nfs/dbraw/zinc/35/87/07/1194358707.db2.gz YVXQQUANYOKXIG-QGZVFWFLSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1ccc(C)cc1C ZINC001634640794 1194506424 /nfs/dbraw/zinc/50/64/24/1194506424.db2.gz MXMOCGTWBGDNCY-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001634783941 1194515753 /nfs/dbraw/zinc/51/57/53/1194515753.db2.gz ZIMBJNVGJUNGJC-PKOBYXMFSA-N 0 3 315.461 3.305 20 30 DGEDHN C#C[C@H](NC(=O)CN(C)CC(C)(C)C)c1ccc(Cl)cc1F ZINC001635192260 1194537041 /nfs/dbraw/zinc/53/70/41/1194537041.db2.gz VKRUSQNJVAQKLE-HNNXBMFYSA-N 0 3 324.827 3.248 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1cccc(Cl)c1 ZINC001635753344 1194569756 /nfs/dbraw/zinc/56/97/56/1194569756.db2.gz RXQVYGOZZZQIIV-UHFFFAOYSA-N 0 3 308.853 3.239 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001635757804 1194570554 /nfs/dbraw/zinc/57/05/54/1194570554.db2.gz MHJYJMHJPOCPJS-GJZGRUSLSA-N 0 3 322.399 3.035 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@@H]1CN(C)CC1(C)C)c1ccccc1 ZINC001639138377 1194752636 /nfs/dbraw/zinc/75/26/36/1194752636.db2.gz AFGPYKNTCVPFOR-IAGOWNOFSA-N 0 3 300.446 3.193 20 30 DGEDHN CC[C@@H]1CN(c2cc(C)c(C#N)cn2)CCN1Cc1ccccc1 ZINC001639761480 1194780340 /nfs/dbraw/zinc/78/03/40/1194780340.db2.gz XRAKVYWPMLRGJV-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc2ccccc21 ZINC001640016549 1194791357 /nfs/dbraw/zinc/79/13/57/1194791357.db2.gz ZTDZYXRXTSBNQF-UHFFFAOYSA-N 0 3 310.441 3.349 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(SC)ccc1C ZINC001640015745 1194791489 /nfs/dbraw/zinc/79/14/89/1194791489.db2.gz IMFKGVLYNWJVTE-UHFFFAOYSA-N 0 3 306.475 3.297 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001640020147 1194791742 /nfs/dbraw/zinc/79/17/42/1194791742.db2.gz PEPLEAGPUDZAOO-RBUKOAKNSA-N 0 3 314.473 3.319 20 30 DGEDHN CC1(C)CC(CN2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001641669852 1194865967 /nfs/dbraw/zinc/86/59/67/1194865967.db2.gz FZOLEPSSZNQWNY-UHFFFAOYSA-N 0 3 301.409 3.256 20 30 DGEDHN C#CCN(Cc1cccc(C(=O)NCc2ccco2)c1)C(C)(C)C ZINC001644574531 1195118208 /nfs/dbraw/zinc/11/82/08/1195118208.db2.gz JXYVEMHMNRNGKF-UHFFFAOYSA-N 0 3 324.424 3.443 20 30 DGEDHN CC1(C)CN(C[C@@H](O)c2cccc(C#N)c2)Cc2ccccc21 ZINC001645147612 1195161849 /nfs/dbraw/zinc/16/18/49/1195161849.db2.gz ITDHFEDNOMGGNC-LJQANCHMSA-N 0 3 306.409 3.385 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC001646287806 1195220959 /nfs/dbraw/zinc/22/09/59/1195220959.db2.gz SFGSXOHDDCYAEY-HIFRSBDPSA-N 0 3 312.335 3.256 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(C)c(Br)c1 ZINC001647850587 1195259253 /nfs/dbraw/zinc/25/92/53/1195259253.db2.gz CDDPZJNGVXDIHA-UHFFFAOYSA-N 0 3 310.235 3.229 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001648290314 1195289386 /nfs/dbraw/zinc/28/93/86/1195289386.db2.gz HLEXZGBKZABXNF-WMLDXEAASA-N 0 3 318.848 3.253 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@H]1CC[C@H](C#N)C1 ZINC001648588278 1195311415 /nfs/dbraw/zinc/31/14/15/1195311415.db2.gz YOXQMTNYXRJQKI-CQDIZWNASA-N 0 3 319.449 3.200 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@]1(CO)c1ccccc1 ZINC001648635805 1195316848 /nfs/dbraw/zinc/31/68/48/1195316848.db2.gz VJVSIJSUMZAZAL-FQEVSTJZSA-N 0 3 322.408 3.050 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001649438841 1195338616 /nfs/dbraw/zinc/33/86/16/1195338616.db2.gz LXRSNGCRSHUSDW-CKEIUWERSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001649441094 1195338962 /nfs/dbraw/zinc/33/89/62/1195338962.db2.gz JLSHFODABFEFFX-CABCVRRESA-N 0 3 308.853 3.335 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001649459226 1195344672 /nfs/dbraw/zinc/34/46/72/1195344672.db2.gz QRFYTODVNOFJGO-UHFFFAOYSA-N 0 3 323.440 3.099 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2nc(C)cs2)C[C@@H]1C ZINC001671245653 1195357491 /nfs/dbraw/zinc/35/74/91/1195357491.db2.gz OHXIVOHSNVFBJX-LSDHHAIUSA-N 0 3 321.490 3.277 20 30 DGEDHN Cc1c(Cl)cnc(NC[C@@H]2N(C)CCCC2(C)C)c1C#N ZINC001651038754 1195406850 /nfs/dbraw/zinc/40/68/50/1195406850.db2.gz IKISZLYZDKSINY-AWEZNQCLSA-N 0 3 306.841 3.447 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc(C(C)(C)C)ccc1C#N ZINC001651187287 1195424538 /nfs/dbraw/zinc/42/45/38/1195424538.db2.gz RNKUAFAGWZPOLP-UHFFFAOYSA-N 0 3 300.450 3.195 20 30 DGEDHN N#Cc1ccc(CNCc2cc(-n3ccnc3)cs2)cc1F ZINC001652667094 1195634562 /nfs/dbraw/zinc/63/45/62/1195634562.db2.gz FKQLPBXYEHDUFI-UHFFFAOYSA-N 0 3 312.373 3.234 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001654312774 1195792629 /nfs/dbraw/zinc/79/26/29/1195792629.db2.gz WVKJYODEEAASBH-CYBMUJFWSA-N 0 3 302.846 3.412 20 30 DGEDHN C=C(Cl)CN[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001654383310 1195798846 /nfs/dbraw/zinc/79/88/46/1195798846.db2.gz QXJKXECLMMZZLW-WCFLWFBJSA-N 0 3 302.846 3.363 20 30 DGEDHN CC(C)(NC[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001654801414 1195841551 /nfs/dbraw/zinc/84/15/51/1195841551.db2.gz MJKVOKLNDRKNDL-QGZVFWFLSA-N 0 3 316.351 3.395 20 30 DGEDHN CN(C[C@@H]1CCCCN1CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC001654818185 1195844167 /nfs/dbraw/zinc/84/41/67/1195844167.db2.gz GHTYOPAQXKJXQC-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCCN(CC)CCCS(=O)(=O)c1ccc(F)cc1 ZINC001655014495 1195864689 /nfs/dbraw/zinc/86/46/89/1195864689.db2.gz LYSZWCZFTNGAOY-UHFFFAOYSA-N 0 3 313.438 3.278 20 30 DGEDHN N#Cc1cncc(CN2CCCC[C@@H]2Cc2ccc(O)cc2)c1 ZINC001655066702 1195871992 /nfs/dbraw/zinc/87/19/92/1195871992.db2.gz QCFRGCOTVAVXEA-GOSISDBHSA-N 0 3 307.397 3.256 20 30 DGEDHN COc1ccc2c(c1)CCN(CCCOc1ccc(C#N)cc1)C2 ZINC001655086394 1195874184 /nfs/dbraw/zinc/87/41/84/1195874184.db2.gz ISBHUSUMGFOGNK-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN CCC#C[C@@H](C)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001655225340 1195893668 /nfs/dbraw/zinc/89/36/68/1195893668.db2.gz TVKNZQYOZCDDEK-LZQZEXGQSA-N 0 3 320.477 3.367 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(Cc1cccc3ncccc13)C2 ZINC001655797029 1195963960 /nfs/dbraw/zinc/96/39/60/1195963960.db2.gz GPFMFLZRISGVJE-UHFFFAOYSA-N 0 3 320.421 3.308 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)Cc1c(F)cccc1F ZINC001656089494 1195997621 /nfs/dbraw/zinc/99/76/21/1195997621.db2.gz UTSHYADVLBUJOO-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001656103230 1196002032 /nfs/dbraw/zinc/00/20/32/1196002032.db2.gz YSNFMOSIWIMBCE-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001656109414 1196005112 /nfs/dbraw/zinc/00/51/12/1196005112.db2.gz JZIJMYSOHSECRH-INIZCTEOSA-N 0 3 303.450 3.216 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCCC23OCCO3)cc1Cl ZINC001656717431 1196065099 /nfs/dbraw/zinc/06/50/99/1196065099.db2.gz FRWSGOPSVGEOMJ-MRXNPFEDSA-N 0 3 323.820 3.290 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCN(CCOCC)[C@@H]2C)CCCCC1 ZINC001657007430 1196092187 /nfs/dbraw/zinc/09/21/87/1196092187.db2.gz NVXYGUHVENOPQO-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cc(C)cc(C)c1 ZINC001657070718 1196100000 /nfs/dbraw/zinc/10/00/00/1196100000.db2.gz BHHACXWDCLMBRF-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(-c3nc(C)no3)cc2)cc1 ZINC001657134175 1196109199 /nfs/dbraw/zinc/10/91/99/1196109199.db2.gz UMNPVXSOQKHQOH-UHFFFAOYSA-N 0 3 303.365 3.316 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC001657638739 1196163626 /nfs/dbraw/zinc/16/36/26/1196163626.db2.gz DTUNGUMURIJCDX-UHFFFAOYSA-N 0 3 300.446 3.094 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](Cc1ccccc1)OC ZINC001657993282 1196199520 /nfs/dbraw/zinc/19/95/20/1196199520.db2.gz NJRWIMPEQWGDDW-LJQANCHMSA-N 0 3 309.409 3.046 20 30 DGEDHN C#CCC[C@H](O)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC001658520753 1196268064 /nfs/dbraw/zinc/26/80/64/1196268064.db2.gz ZXLKDMKBSSYBBG-LBPRGKRZSA-N 0 3 305.324 3.089 20 30 DGEDHN C#CCC[C@@H](O)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC001658520752 1196268469 /nfs/dbraw/zinc/26/84/69/1196268469.db2.gz ZXLKDMKBSSYBBG-GFCCVEGCSA-N 0 3 305.324 3.089 20 30 DGEDHN Cn1ccnc1C[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC001658613733 1196280987 /nfs/dbraw/zinc/28/09/87/1196280987.db2.gz HIKGZZKQFKAOSI-FQEVSTJZSA-N 0 3 315.420 3.345 20 30 DGEDHN C#Cc1ccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)cc1 ZINC001659162145 1196354489 /nfs/dbraw/zinc/35/44/89/1196354489.db2.gz UZDGEUAXCMDXKM-OAQYLSRUSA-N 0 3 304.437 3.027 20 30 DGEDHN C#Cc1ccc(CNC[C@@H]2CC(c3ccc(C)cc3)=NO2)cc1 ZINC001659939265 1196430947 /nfs/dbraw/zinc/43/09/47/1196430947.db2.gz OSWMLWJPJQGRRA-IBGZPJMESA-N 0 3 304.393 3.259 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@H](NCC2(C#N)CCOCC2)C12CCC2 ZINC001660206110 1196457740 /nfs/dbraw/zinc/45/77/40/1196457740.db2.gz PIYPDANUIIUKIE-LSDHHAIUSA-N 0 3 306.450 3.023 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CCC1 ZINC001660283727 1196466502 /nfs/dbraw/zinc/46/65/02/1196466502.db2.gz IHBGVMJIQMMBSA-HOTGVXAUSA-N 0 3 310.441 3.278 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c1C#N ZINC001660402162 1196479611 /nfs/dbraw/zinc/47/96/11/1196479611.db2.gz HQFVKCMQXFKITH-HDCAYBSHSA-N 0 3 324.424 3.213 20 30 DGEDHN O=C1C=COC2(CCN(C[C@H]3CC4(CO3)CCCCC4)CC2)C1 ZINC001660399033 1196479802 /nfs/dbraw/zinc/47/98/02/1196479802.db2.gz NIEMQXUPKRKNCN-QGZVFWFLSA-N 0 3 319.445 3.064 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1occc1C ZINC001660427103 1196482572 /nfs/dbraw/zinc/48/25/72/1196482572.db2.gz XGUTVXRZFISPEF-KBPBESRZSA-N 0 3 310.825 3.313 20 30 DGEDHN C=CCC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001660485037 1196489692 /nfs/dbraw/zinc/48/96/92/1196489692.db2.gz YOPUYAHAXXCXGR-ZDUSSCGKSA-N 0 3 305.334 3.434 20 30 DGEDHN CCN(CCCNC(=O)[C@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC001660501720 1196491716 /nfs/dbraw/zinc/49/17/16/1196491716.db2.gz FZASWKGFGLVGBE-ZIAGYGMSSA-N 0 3 321.852 3.389 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCOCC)C2)CCCC1 ZINC001660862624 1196537313 /nfs/dbraw/zinc/53/73/13/1196537313.db2.gz KUEAAYDQCWCRSH-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001661006488 1196552009 /nfs/dbraw/zinc/55/20/09/1196552009.db2.gz BRWMRMKQDIBBTK-HNNXBMFYSA-N 0 3 319.449 3.327 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001661019634 1196554171 /nfs/dbraw/zinc/55/41/71/1196554171.db2.gz BYHYJFBUZXZFFC-WMZOPIPTSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001661087191 1196564285 /nfs/dbraw/zinc/56/42/85/1196564285.db2.gz RUSVARBJBKABBH-HOTGVXAUSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001661262745 1196589399 /nfs/dbraw/zinc/58/93/99/1196589399.db2.gz VPWUYDWSNDJYCM-OAGGEKHMSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001661268117 1196590723 /nfs/dbraw/zinc/59/07/23/1196590723.db2.gz XQUXQWFBHUZANE-NCOADZHNSA-N 0 3 302.462 3.207 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001661554909 1196618368 /nfs/dbraw/zinc/61/83/68/1196618368.db2.gz HXFOJOONGLNXNS-VVXZVVLWSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001661554906 1196618513 /nfs/dbraw/zinc/61/85/13/1196618513.db2.gz HXFOJOONGLNXNS-HWYYHXQYSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(CCOCC)CCC1 ZINC001661866091 1196654498 /nfs/dbraw/zinc/65/44/98/1196654498.db2.gz GFPCMDVWIXYXPW-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCCCCCN1CCCC[C@H]1CNC(=O)c1cnco1 ZINC001661875328 1196655274 /nfs/dbraw/zinc/65/52/74/1196655274.db2.gz CPFNWCXIOVGMHU-HNNXBMFYSA-N 0 3 307.438 3.229 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001661890728 1196659600 /nfs/dbraw/zinc/65/96/00/1196659600.db2.gz KKPGEQQAJQHSAN-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CCC)CC1 ZINC001661977011 1196669044 /nfs/dbraw/zinc/66/90/44/1196669044.db2.gz INQDJMSZPTZPIZ-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCCCCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#C ZINC001661978680 1196670098 /nfs/dbraw/zinc/67/00/98/1196670098.db2.gz WPFQBCIUJABSBG-OALUTQOASA-N 0 3 314.473 3.049 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001661984021 1196670623 /nfs/dbraw/zinc/67/06/23/1196670623.db2.gz QBXIZZAKZAKNPI-WMZOPIPTSA-N 0 3 302.462 3.117 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCc1cc2ccccc2[nH]1 ZINC001662447150 1196723381 /nfs/dbraw/zinc/72/33/81/1196723381.db2.gz KURWUIJKOYUNRV-UHFFFAOYSA-N 0 3 304.397 3.395 20 30 DGEDHN C#Cc1ccc(CNCc2cc(CC=C)c(O)c(OC)c2)cc1 ZINC001662488258 1196725471 /nfs/dbraw/zinc/72/54/71/1196725471.db2.gz VGSKJMMNMGJQMZ-UHFFFAOYSA-N 0 3 307.393 3.400 20 30 DGEDHN C=CCC1(NCc2snc(OC)c2Cl)CCOCC1 ZINC001662819666 1196755773 /nfs/dbraw/zinc/75/57/73/1196755773.db2.gz HLNIZBOXFBGYEN-UHFFFAOYSA-N 0 3 302.827 3.020 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C)nc2C)C1 ZINC001662829003 1196758203 /nfs/dbraw/zinc/75/82/03/1196758203.db2.gz VGWJVOUQYZNOJB-GOSISDBHSA-N 0 3 315.461 3.087 20 30 DGEDHN CC(C)(NCc1ccc2oc(=O)oc2c1)c1cccc(C#N)c1 ZINC001662851599 1196761422 /nfs/dbraw/zinc/76/14/22/1196761422.db2.gz KQRPAQKMBOPZCY-UHFFFAOYSA-N 0 3 308.337 3.283 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001662944924 1196774641 /nfs/dbraw/zinc/77/46/41/1196774641.db2.gz RWHQTELBUOXDAI-LBPRGKRZSA-N 0 3 319.836 3.327 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C)cc(C)cc1C ZINC001663007825 1196782911 /nfs/dbraw/zinc/78/29/11/1196782911.db2.gz FSGMKMJBZFRMLN-OAHLLOKOSA-N 0 3 308.853 3.462 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC1(F)F ZINC001663071412 1196789523 /nfs/dbraw/zinc/78/95/23/1196789523.db2.gz CDYUPVDVOFCVNB-STQMWFEESA-N 0 3 320.811 3.145 20 30 DGEDHN C=C[C@@H](C(=O)NCCC[C@@H]1CCCN1CCF)c1ccccc1 ZINC001663123731 1196795114 /nfs/dbraw/zinc/79/51/14/1196795114.db2.gz JVGKVPGPWWFKOC-QZTJIDSGSA-N 0 3 318.436 3.287 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001663172318 1196804685 /nfs/dbraw/zinc/80/46/85/1196804685.db2.gz WAVCZGXWPQFHAD-QGZVFWFLSA-N 0 3 318.848 3.179 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)[C@@H](C)c2cccc(F)c2)cc1 ZINC001663245012 1196817587 /nfs/dbraw/zinc/81/75/87/1196817587.db2.gz CEKNTFOPLZMTMI-HNNXBMFYSA-N 0 3 324.399 3.230 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@H](C)c1ccc(F)cc1 ZINC001663377446 1196851496 /nfs/dbraw/zinc/85/14/96/1196851496.db2.gz 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LZYDWHPYIQJEDA-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN N#Cc1ccc(C[NH2+]CCc2c(F)cc([O-])cc2F)cc1F ZINC001665740687 1197183757 /nfs/dbraw/zinc/18/37/57/1197183757.db2.gz AQHBSRSLVBOBPS-UHFFFAOYSA-N 0 3 306.287 3.013 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2ccc(F)c(F)c2)C1 ZINC001665844798 1197205858 /nfs/dbraw/zinc/20/58/58/1197205858.db2.gz QFSNRBPAOGTGRN-CQSZACIVSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(F)c(C)c1)C1CC1 ZINC001666015776 1197227113 /nfs/dbraw/zinc/22/71/13/1197227113.db2.gz ADGXMXLMQYCPBS-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cccn2CC)C1 ZINC001666173764 1197241333 /nfs/dbraw/zinc/24/13/33/1197241333.db2.gz UZPJSPFNHOPAPI-OAHLLOKOSA-N 0 3 323.868 3.092 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NCc2oc(C)nc2C)CC1 ZINC001666287056 1197248616 /nfs/dbraw/zinc/24/86/16/1197248616.db2.gz NBOSZUGOBPUCDY-WKILWMFISA-N 0 3 319.449 3.165 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC001666306501 1197250482 /nfs/dbraw/zinc/25/04/82/1197250482.db2.gz NWWGEBYWJHWWGR-MPGHIAIKSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)[C@H](C)CC)cc1 ZINC001666344713 1197253888 /nfs/dbraw/zinc/25/38/88/1197253888.db2.gz MYJYAFPGYPWADD-HZPDHXFCSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccc(C)s1)C(C)C ZINC001667519490 1197356172 /nfs/dbraw/zinc/35/61/72/1197356172.db2.gz HUDMULILDZPRDN-CQSZACIVSA-N 0 3 314.882 3.082 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001667580268 1197364511 /nfs/dbraw/zinc/36/45/11/1197364511.db2.gz AYKDRBLOLKJVON-HJWRWDBZSA-N 0 3 300.446 3.142 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)CC(C)(C)CC ZINC001668070476 1197398323 /nfs/dbraw/zinc/39/83/23/1197398323.db2.gz NKIRNNJGHMZLFG-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)CCC(C)C ZINC001668357664 1197412040 /nfs/dbraw/zinc/41/20/40/1197412040.db2.gz VIUGNQJOIWLEFU-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C[C@H](NC/C=C\CNC(=O)C#CC(C)(C)C)c1cccc(F)c1 ZINC001668815163 1197431219 /nfs/dbraw/zinc/43/12/19/1197431219.db2.gz IWFVJBIVIFRWPI-YVACAVLKSA-N 0 3 316.420 3.198 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCC1CCC1 ZINC001669787807 1197482226 /nfs/dbraw/zinc/48/22/26/1197482226.db2.gz BBFIJZUBDFTFMW-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2C)cc1 ZINC001669856471 1197491200 /nfs/dbraw/zinc/49/12/00/1197491200.db2.gz FLHJWMWKPBAQNP-QGZVFWFLSA-N 0 3 320.436 3.227 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1 ZINC001669867369 1197494223 /nfs/dbraw/zinc/49/42/23/1197494223.db2.gz FBGZUACBSCXCSP-RMHQSFGDSA-N 0 3 312.457 3.330 20 30 DGEDHN CCC(C)(C)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001670228198 1197526754 /nfs/dbraw/zinc/52/67/54/1197526754.db2.gz DQZUXMLGFWTSRA-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCC=C(Cl)Cl ZINC001670237274 1197527240 /nfs/dbraw/zinc/52/72/40/1197527240.db2.gz OPWLYOAEDRVDAZ-CQSZACIVSA-N 0 3 307.265 3.346 20 30 DGEDHN C#CCN(C(=O)NC[C@@H](CCC)CCCC)C1CCN(C)CC1 ZINC001670287115 1197530221 /nfs/dbraw/zinc/53/02/21/1197530221.db2.gz CUETUQYBJRSBCU-KRWDZBQOSA-N 0 3 321.509 3.332 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001671915823 1197584869 /nfs/dbraw/zinc/58/48/69/1197584869.db2.gz AFZIAPZWQACYRI-FXAWDEMLSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001671916373 1197585675 /nfs/dbraw/zinc/58/56/75/1197585675.db2.gz KNMLDKARBGBEER-IBGZPJMESA-N 0 3 304.478 3.217 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001672389087 1197609207 /nfs/dbraw/zinc/60/92/07/1197609207.db2.gz XGCDOALIDPDOCP-LJQANCHMSA-N 0 3 324.468 3.208 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CCNCCF)Cc1ccccc1 ZINC001672392499 1197609293 /nfs/dbraw/zinc/60/92/93/1197609293.db2.gz MLQUCWBWUOECRO-UHFFFAOYSA-N 0 3 306.425 3.177 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC001672891838 1197626997 /nfs/dbraw/zinc/62/69/97/1197626997.db2.gz ZGROAKSFVXVVDK-CYBMUJFWSA-N 0 3 321.852 3.086 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC001672891839 1197627211 /nfs/dbraw/zinc/62/72/11/1197627211.db2.gz ZGROAKSFVXVVDK-ZDUSSCGKSA-N 0 3 321.852 3.086 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cnccc1C ZINC001672924749 1197628555 /nfs/dbraw/zinc/62/85/55/1197628555.db2.gz BBBIODRKEJNWAK-UHFFFAOYSA-N 0 3 323.440 3.328 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cccnc1C ZINC001672929161 1197629034 /nfs/dbraw/zinc/62/90/34/1197629034.db2.gz ALROHLYZFSHIAT-UHFFFAOYSA-N 0 3 323.440 3.328 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC001672937136 1197629702 /nfs/dbraw/zinc/62/97/02/1197629702.db2.gz HTNKZOLIKSJPQM-CABCVRRESA-N 0 3 300.446 3.269 20 30 DGEDHN C#CCCCCCC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001673013250 1197634846 /nfs/dbraw/zinc/63/48/46/1197634846.db2.gz NUYRVLXVRJAXGJ-KRWDZBQOSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@@H](C)CCC)cccc2C1 ZINC001673075480 1197636723 /nfs/dbraw/zinc/63/67/23/1197636723.db2.gz NAICIJNFXHKGQU-INIZCTEOSA-N 0 3 312.457 3.120 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1cncc(F)c1 ZINC001673119823 1197638796 /nfs/dbraw/zinc/63/87/96/1197638796.db2.gz NPOPVKGTNDMJBK-QGZVFWFLSA-N 0 3 319.424 3.048 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001673483341 1197666706 /nfs/dbraw/zinc/66/67/06/1197666706.db2.gz RFHKNLJTCVOVMH-UHFFFAOYSA-N 0 3 300.446 3.227 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](F)CC ZINC001673632990 1197680794 /nfs/dbraw/zinc/68/07/94/1197680794.db2.gz BMFOYGKGFNOJQN-MSOLQXFVSA-N 0 3 318.436 3.244 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cc(C)ccc2F)[C@@H](C)C1 ZINC001673898167 1197702931 /nfs/dbraw/zinc/70/29/31/1197702931.db2.gz LVYUXYGDBWBYLR-YJBOKZPZSA-N 0 3 318.436 3.427 20 30 DGEDHN CCC(C)(C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001674229159 1197748869 /nfs/dbraw/zinc/74/88/69/1197748869.db2.gz WKQOHJKFUBAIBR-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1c2ccccc2CCN1CCC ZINC001674266424 1197753186 /nfs/dbraw/zinc/75/31/86/1197753186.db2.gz GFOPDATYSIZENP-IBGZPJMESA-N 0 3 312.457 3.306 20 30 DGEDHN C=CCCC(=O)NC1CC(CN[C@@H](C)c2c(F)cccc2F)C1 ZINC001674525521 1197793785 /nfs/dbraw/zinc/79/37/85/1197793785.db2.gz ASDQKVSMCTTWGY-HSBZDZAISA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001674608715 1197801878 /nfs/dbraw/zinc/80/18/78/1197801878.db2.gz SDCVVDXOEDQILF-VEAWUBTESA-N 0 3 324.827 3.166 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1cccc(C(C)C)n1 ZINC001674641126 1197817767 /nfs/dbraw/zinc/81/77/67/1197817767.db2.gz RZUXSLPXSYJGEF-GJZGRUSLSA-N 0 3 303.450 3.154 20 30 DGEDHN C[C@@H](NCc1ccccc1Cl)[C@H](C)NC(=O)C#CC(C)(C)C ZINC001674668289 1197828198 /nfs/dbraw/zinc/82/81/98/1197828198.db2.gz WXPYDUULENRJBJ-KGLIPLIRSA-N 0 3 320.864 3.372 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001674671959 1197829576 /nfs/dbraw/zinc/82/95/76/1197829576.db2.gz CSAXHZLTEWOPSR-QWHCGFSZSA-N 0 3 310.388 3.304 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001674772575 1197867973 /nfs/dbraw/zinc/86/79/73/1197867973.db2.gz HXFWCAWXSFGMJC-OLZOCXBDSA-N 0 3 321.490 3.429 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001674772574 1197868834 /nfs/dbraw/zinc/86/88/34/1197868834.db2.gz HXFWCAWXSFGMJC-CHWSQXEVSA-N 0 3 321.490 3.429 20 30 DGEDHN Cc1cc(CN(C)[C@H](C)CNC(=O)C#CC(C)(C)C)c(C)s1 ZINC001674925355 1197923755 /nfs/dbraw/zinc/92/37/55/1197923755.db2.gz GCECNMFENDRTPJ-CYBMUJFWSA-N 0 3 320.502 3.351 20 30 DGEDHN Cc1cc(CN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)c(C)s1 ZINC001674925356 1197924142 /nfs/dbraw/zinc/92/41/42/1197924142.db2.gz GCECNMFENDRTPJ-ZDUSSCGKSA-N 0 3 320.502 3.351 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001674958689 1197934296 /nfs/dbraw/zinc/93/42/96/1197934296.db2.gz QAQDAVCIQVJBKQ-MRXNPFEDSA-N 0 3 302.462 3.050 20 30 DGEDHN C#CCC1(C(=O)NC[C@H](C)N(C)CC=C(C)C)CCCCC1 ZINC001675054609 1197981505 /nfs/dbraw/zinc/98/15/05/1197981505.db2.gz PWXMISAYWPYHEI-KRWDZBQOSA-N 0 3 304.478 3.363 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CN(CC2=CCCCC2)C1 ZINC001675297585 1198038516 /nfs/dbraw/zinc/03/85/16/1198038516.db2.gz CHXMASUCKBGDEF-MRXNPFEDSA-N 0 3 302.462 3.117 20 30 DGEDHN C[C@H](NC(=O)C#CC(C)(C)C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001675304854 1198039858 /nfs/dbraw/zinc/03/98/58/1198039858.db2.gz CLHOTURRNFHGIH-HOTGVXAUSA-N 0 3 312.457 3.234 20 30 DGEDHN C=C(Br)CNCCC[C@H](C)NC(=O)/C(C)=C/CC ZINC001675864382 1198161169 /nfs/dbraw/zinc/16/11/69/1198161169.db2.gz ZUEPHXIIHHHVBU-HJTPGIPUSA-N 0 3 317.271 3.126 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccccc1C(C)(C)C ZINC001676365001 1198302690 /nfs/dbraw/zinc/30/26/90/1198302690.db2.gz QPVQEUYMQBQTAL-OAHLLOKOSA-N 0 3 300.446 3.058 20 30 DGEDHN C=CC1(CC(=O)N2C[C@@H](NCC#CC)C[C@H]2C)CCCCC1 ZINC001676762493 1198382682 /nfs/dbraw/zinc/38/26/82/1198382682.db2.gz KVKYPRVRCMSDBA-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CC3(C)CCCC3)CCC[C@@H]12 ZINC001676801989 1198391746 /nfs/dbraw/zinc/39/17/46/1198391746.db2.gz BXEABTFROUJIMA-APWZRJJASA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)CCC(C)(C)C)CCC[C@H]12 ZINC001676820056 1198400381 /nfs/dbraw/zinc/40/03/81/1198400381.db2.gz GNYLVSHDNKUBRO-JTDSTZFVSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2scnc2C)[C@@H]1C ZINC001676860115 1198413886 /nfs/dbraw/zinc/41/38/86/1198413886.db2.gz POZDHHFOQPONHX-UONOGXRCSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(C)s2)[C@@H]1C ZINC001676897840 1198428428 /nfs/dbraw/zinc/42/84/28/1198428428.db2.gz HEFVQWGWVRVKDP-GOEBONIOSA-N 0 3 306.475 3.144 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC=C)CCCC2)[C@@H]1C ZINC001676898795 1198428551 /nfs/dbraw/zinc/42/85/51/1198428551.db2.gz RKNRPGDJRZTNQD-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2csc(CC)n2)C1 ZINC001676909729 1198431558 /nfs/dbraw/zinc/43/15/58/1198431558.db2.gz GFSAQVAUNGGZGK-KBPBESRZSA-N 0 3 321.490 3.046 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](NC/C=C/Cl)C(C)(C)C2)CCC1 ZINC001677024184 1198466047 /nfs/dbraw/zinc/46/60/47/1198466047.db2.gz WVKAMXKHQYKSCP-OAUONFCTSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1sccc1Cl)C(C)C ZINC001677199145 1198485224 /nfs/dbraw/zinc/48/52/24/1198485224.db2.gz UPXITNQFKMCYPS-UHFFFAOYSA-N 0 3 312.866 3.207 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@@H]1CCCCO1)C(C)C ZINC001677211696 1198489051 /nfs/dbraw/zinc/48/90/51/1198489051.db2.gz VROZJXFMTKKNRC-KRWDZBQOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(C)cc1F)C(C)C ZINC001677211704 1198490154 /nfs/dbraw/zinc/49/01/54/1198490154.db2.gz WANOHMROHAZEBU-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C#CCCCC(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C ZINC001677243678 1198500453 /nfs/dbraw/zinc/50/04/53/1198500453.db2.gz ZVBIZDOXELZGMW-LBPRGKRZSA-N 0 3 319.276 3.229 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001677334797 1198517796 /nfs/dbraw/zinc/51/77/96/1198517796.db2.gz JHFREAHUYSIQAV-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001677342062 1198519383 /nfs/dbraw/zinc/51/93/83/1198519383.db2.gz MMELKASIXUVYBG-SJLPKXTDSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)/C=C\C(C)(C)C)CC[C@H]1C(F)(F)F ZINC001677372008 1198524900 /nfs/dbraw/zinc/52/49/00/1198524900.db2.gz OPYCYYBEYFRTBX-YVNFWLBFSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001677432252 1198535472 /nfs/dbraw/zinc/53/54/72/1198535472.db2.gz WBXQXUWZOZWQHE-UHFFFAOYSA-N 0 3 319.276 3.487 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC001677467397 1198541385 /nfs/dbraw/zinc/54/13/85/1198541385.db2.gz KJQAYTYAIBGZAZ-IRXDYDNUSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCCCC(=O)NCC1=CCN(Cc2ccc(C)cc2)CC1 ZINC001677590467 1198557332 /nfs/dbraw/zinc/55/73/32/1198557332.db2.gz XLNFACGNJGBLPJ-UHFFFAOYSA-N 0 3 324.468 3.437 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001680395993 1198875606 /nfs/dbraw/zinc/87/56/06/1198875606.db2.gz XFXHRODIAFMNQV-GOSISDBHSA-N 0 3 317.477 3.408 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001683859372 1199311784 /nfs/dbraw/zinc/31/17/84/1199311784.db2.gz QGJRJHNDSPXGTL-CVEARBPZSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001684043024 1199331780 /nfs/dbraw/zinc/33/17/80/1199331780.db2.gz RVMSPYHEDKWJFL-QGZVFWFLSA-N 0 3 319.493 3.249 20 30 DGEDHN N#CCOc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000113347495 1199667331 /nfs/dbraw/zinc/66/73/31/1199667331.db2.gz QEENWRSSGZCQQC-UHFFFAOYSA-N 0 3 318.380 3.269 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC/C=C\CC)cc1 ZINC001688881303 1199940638 /nfs/dbraw/zinc/94/06/38/1199940638.db2.gz OYPXOWKHSUTJNL-LIXSYLKWSA-N 0 3 310.441 3.171 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001688888638 1199943643 /nfs/dbraw/zinc/94/36/43/1199943643.db2.gz LGVMADQEISFOMJ-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnc2ccccc2c1 ZINC001688888650 1199944317 /nfs/dbraw/zinc/94/43/17/1199944317.db2.gz LKXYIRMEWUANLS-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001688895725 1199948708 /nfs/dbraw/zinc/94/87/08/1199948708.db2.gz NDYSZUXTMHEVQD-MRXNPFEDSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(CC)cc1)C(C)C ZINC001753844680 1199992687 /nfs/dbraw/zinc/99/26/87/1199992687.db2.gz RZJYCMYKPKSFKW-MRXNPFEDSA-N 0 3 308.853 3.346 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCC3(C)CC3)C2)CC1 ZINC001689026244 1199996689 /nfs/dbraw/zinc/99/66/89/1199996689.db2.gz JSSOESZCCZPBKA-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)Cc1ccc(Cl)cc1C ZINC001753851490 1199997789 /nfs/dbraw/zinc/99/77/89/1199997789.db2.gz GEUNMVYDYZHIRJ-UHFFFAOYSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1scc(C)c1Cl 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322.880 3.341 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001755028693 1200588961 /nfs/dbraw/zinc/58/89/61/1200588961.db2.gz PCPIUJQHVFXIOS-ZDUSSCGKSA-N 0 3 306.372 3.266 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC001690500700 1200594035 /nfs/dbraw/zinc/59/40/35/1200594035.db2.gz BHTFRSKXIPYPPK-GDBMZVCRSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ocnc2C)C1 ZINC001690500702 1200595800 /nfs/dbraw/zinc/59/58/00/1200595800.db2.gz BHTFRSKXIPYPPK-HOCLYGCPSA-N 0 3 319.449 3.056 20 30 DGEDHN CC[C@H](C)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001690527606 1200608232 /nfs/dbraw/zinc/60/82/32/1200608232.db2.gz MTMSQWGKFAVGOG-NNGSBXSVSA-N 0 3 313.445 3.121 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C(C1CCC1)C1CCC1 ZINC001755042277 1200611092 /nfs/dbraw/zinc/61/10/92/1200611092.db2.gz KHSHCXSNXRZXNK-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001755044380 1200614296 /nfs/dbraw/zinc/61/42/96/1200614296.db2.gz SCPJJNCMBVZCQG-UHFFFAOYSA-N 0 3 300.446 3.011 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001690541564 1200614433 /nfs/dbraw/zinc/61/44/33/1200614433.db2.gz GVSIOPSIEZZMCL-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001755045334 1200615946 /nfs/dbraw/zinc/61/59/46/1200615946.db2.gz RFCRFFICTGZTRL-UHFFFAOYSA-N 0 3 318.486 3.044 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001755044825 1200616409 /nfs/dbraw/zinc/61/64/09/1200616409.db2.gz VSOUWPFSKWLQHK-IYARVYRRSA-N 0 3 306.494 3.252 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001755047278 1200618135 /nfs/dbraw/zinc/61/81/35/1200618135.db2.gz HRIQMQUQYZSDEE-UHFFFAOYSA-N 0 3 320.864 3.491 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)NCc1ccc(C(C)C)nc1C ZINC001690560865 1200624685 /nfs/dbraw/zinc/62/46/85/1200624685.db2.gz WUEATCLPYUEFHT-AWEZNQCLSA-N 0 3 303.450 3.074 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001755075469 1200629137 /nfs/dbraw/zinc/62/91/37/1200629137.db2.gz HHPQVHCFCQKMOA-ATZDWAIDSA-N 0 3 312.457 3.152 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCc2ccccc2)C[C@H]1C ZINC001755163011 1200668931 /nfs/dbraw/zinc/66/89/31/1200668931.db2.gz CBBBURCCKAKTEV-IEBWSBKVSA-N 0 3 312.457 3.002 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2ncc(C)s2)C1 ZINC001755212107 1200704663 /nfs/dbraw/zinc/70/46/63/1200704663.db2.gz DYKZACQVAXDLEB-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN C[C@@H](NC(=O)CC1CCCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001755222474 1200712796 /nfs/dbraw/zinc/71/27/96/1200712796.db2.gz DPUHCDFZCLTXGZ-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)c2ccoc2)cc1 ZINC001690793429 1200716772 /nfs/dbraw/zinc/71/67/72/1200716772.db2.gz OZHZVNYCWQRQDF-UHFFFAOYSA-N 0 3 318.804 3.094 20 30 DGEDHN C[C@@H](NC(=O)C=C1CCCCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001755229291 1200719079 /nfs/dbraw/zinc/71/90/79/1200719079.db2.gz YJBNAHOLFUQGFL-ZWKOTPCHSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1sccc1Cl ZINC001755229053 1200719229 /nfs/dbraw/zinc/71/92/29/1200719229.db2.gz WJPQYVOEACCQGF-MNOVXSKESA-N 0 3 300.855 3.351 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC001690835843 1200742689 /nfs/dbraw/zinc/74/26/89/1200742689.db2.gz NQCJWWLKEYTQKS-KBPBESRZSA-N 0 3 315.417 3.339 20 30 DGEDHN C#CCCCC(=O)NCC[C@@H](C)NCc1cc(F)ccc1Cl ZINC001690839365 1200743951 /nfs/dbraw/zinc/74/39/51/1200743951.db2.gz LGRGKLNHFXQUFW-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001755277117 1200757441 /nfs/dbraw/zinc/75/74/41/1200757441.db2.gz FKJNICZPLZNNNL-OAHLLOKOSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(OC(C)C)cc1 ZINC001690877858 1200760915 /nfs/dbraw/zinc/76/09/15/1200760915.db2.gz KPGUUUSQQFCCDJ-AWEZNQCLSA-N 0 3 324.852 3.324 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001755314993 1200800229 /nfs/dbraw/zinc/80/02/29/1200800229.db2.gz ZXIGJEVCVZJGNW-IJLUTSLNSA-N 0 3 312.866 3.128 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001690945535 1200800879 /nfs/dbraw/zinc/80/08/79/1200800879.db2.gz ZRUVPTMHHAUEKL-UHFFFAOYSA-N 0 3 306.425 3.306 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2ccc(F)cc2C)C1 ZINC001755315339 1200801028 /nfs/dbraw/zinc/80/10/28/1200801028.db2.gz NJISRIVYEUJMNT-HNNXBMFYSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC001691799993 1200811282 /nfs/dbraw/zinc/81/12/82/1200811282.db2.gz FFTMLYNHEHVRCD-MAUKXSAKSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC001691796823 1200811955 /nfs/dbraw/zinc/81/19/55/1200811955.db2.gz NYNWUQRMMNFQFD-QZTJIDSGSA-N 0 3 312.388 3.330 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1CCC(F)CC1)c1ccccc1 ZINC001691797888 1200812035 /nfs/dbraw/zinc/81/20/35/1200812035.db2.gz XNTPVXKGQDQWQO-JCYILVPMSA-N 0 3 304.409 3.148 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C)cc1C ZINC001691816808 1200820845 /nfs/dbraw/zinc/82/08/45/1200820845.db2.gz CXEWIWJPYMDYNJ-BGYRXZFFSA-N 0 3 324.468 3.282 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)CC1CC1 ZINC001755356795 1200839588 /nfs/dbraw/zinc/83/95/88/1200839588.db2.gz XOLMSVHPMBNARY-LJQANCHMSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2c(C)oc(C)c2C)C1 ZINC001691856242 1200839982 /nfs/dbraw/zinc/83/99/82/1200839982.db2.gz GPEDXONHRGDWMU-QGZVFWFLSA-N 0 3 316.445 3.155 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccc(C)c2C)C1 ZINC001691867216 1200846723 /nfs/dbraw/zinc/84/67/23/1200846723.db2.gz PBYQWYXEKFRGRG-GOSISDBHSA-N 0 3 312.457 3.253 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001755363682 1200848883 /nfs/dbraw/zinc/84/88/83/1200848883.db2.gz MWADOGDGSOIYIA-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001755369177 1200857696 /nfs/dbraw/zinc/85/76/96/1200857696.db2.gz VYEGWBVSKGWVKG-GOEBONIOSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001755383116 1200866635 /nfs/dbraw/zinc/86/66/35/1200866635.db2.gz TVBXADDFTBWOJY-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001755399910 1200875253 /nfs/dbraw/zinc/87/52/53/1200875253.db2.gz USAKXEWPGKZJRI-HKUYNNGSSA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)CC(C)C)CCN1Cc1cccc(C#N)c1 ZINC001691943318 1200879532 /nfs/dbraw/zinc/87/95/32/1200879532.db2.gz KLQYXZIBAVUFQW-ZWKOTPCHSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cccc2)C1 ZINC001691942381 1200879628 /nfs/dbraw/zinc/87/96/28/1200879628.db2.gz ZAJBYYQATXHISU-OWCLPIDISA-N 0 3 323.868 3.066 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001755410981 1200884642 /nfs/dbraw/zinc/88/46/42/1200884642.db2.gz DHTPTLOXSWEPLZ-SJORKVTESA-N 0 3 322.493 3.127 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)/C(C)=C\CC)C2)CC1 ZINC001691957238 1200886557 /nfs/dbraw/zinc/88/65/57/1200886557.db2.gz BKWJLMYIIZWVFT-KZRVJCNKSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2cnc(C)s2)C1 ZINC001691964637 1200888359 /nfs/dbraw/zinc/88/83/59/1200888359.db2.gz BQSCIMYVLHBSGB-OAHLLOKOSA-N 0 3 321.490 3.088 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)Cc2cncc(C)c2)C1 ZINC001691965999 1200890897 /nfs/dbraw/zinc/89/08/97/1200890897.db2.gz YAUSRMDZMXVJMR-KRWDZBQOSA-N 0 3 315.461 3.027 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)CCCCCC)C[C@]2(C)C1 ZINC001755460734 1200905445 /nfs/dbraw/zinc/90/54/45/1200905445.db2.gz MFXFEKWOKJQRPC-YSIASYRMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@@H](NCc2ncccc2C)C1 ZINC001692115281 1200935156 /nfs/dbraw/zinc/93/51/56/1200935156.db2.gz GZBKRRCLOUXOQO-QGZVFWFLSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](CC)c2ccccc2)[C@H]1C ZINC001692221164 1200974872 /nfs/dbraw/zinc/97/48/72/1200974872.db2.gz FXAVBBNRPUYWEG-NUJGCVRESA-N 0 3 300.446 3.335 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001755602458 1200981743 /nfs/dbraw/zinc/98/17/43/1200981743.db2.gz OVTDNMFXVDUXHK-CQSZACIVSA-N 0 3 320.864 3.077 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cncs2)CCCC1 ZINC001755620629 1200997242 /nfs/dbraw/zinc/99/72/42/1200997242.db2.gz XNJOGJZATJUUDN-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(Cl)nc2)C[C@H]1C ZINC001755677641 1201010098 /nfs/dbraw/zinc/01/00/98/1201010098.db2.gz ZZSQQCZBMHCTFV-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN C#CCCCCCC(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001692323377 1201016806 /nfs/dbraw/zinc/01/68/06/1201016806.db2.gz KPYBQXKRCBIOQK-UHFFFAOYSA-N 0 3 312.457 3.127 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001755694147 1201021312 /nfs/dbraw/zinc/02/13/12/1201021312.db2.gz UHIHNIMMTQFVDT-CXAGYDPISA-N 0 3 323.440 3.001 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001692331871 1201022610 /nfs/dbraw/zinc/02/26/10/1201022610.db2.gz XSNPKDBBCOXENM-HXUWFJFHSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001692345154 1201029147 /nfs/dbraw/zinc/02/91/47/1201029147.db2.gz MXGKTUPVUYAFHB-BEFAXECRSA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@H]1C ZINC001755715366 1201037744 /nfs/dbraw/zinc/03/77/44/1201037744.db2.gz YDAWEKCIZLZHJD-WMZOPIPTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(C)cc2)[C@H]1C ZINC001692377481 1201042944 /nfs/dbraw/zinc/04/29/44/1201042944.db2.gz SRHHONRXBFWDHZ-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001692373300 1201043184 /nfs/dbraw/zinc/04/31/84/1201043184.db2.gz UDGWVOVFPIVRJZ-OALUTQOASA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCC)CCCCC1 ZINC001692386588 1201048329 /nfs/dbraw/zinc/04/83/29/1201048329.db2.gz RLRPQHQWRRFWEU-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN CC(C)N(CCN(C)[C@@H](C)c1cccc(F)c1)C(=O)[C@H](C)C#N ZINC001755810437 1201071315 /nfs/dbraw/zinc/07/13/15/1201071315.db2.gz CYEMXQQRYGCIRF-CABCVRRESA-N 0 3 319.424 3.215 20 30 DGEDHN CC(C)N(CCN(C)[C@@H](C)c1cccc(F)c1)C(=O)[C@@H](C)C#N ZINC001755810438 1201073397 /nfs/dbraw/zinc/07/33/97/1201073397.db2.gz CYEMXQQRYGCIRF-GJZGRUSLSA-N 0 3 319.424 3.215 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1nsc2ccccc21)C(C)C ZINC001755813482 1201078323 /nfs/dbraw/zinc/07/83/23/1201078323.db2.gz SKQGLITZURYCMS-UHFFFAOYSA-N 0 3 317.458 3.265 20 30 DGEDHN C#CCCN(C)CCN(C(=O)CC(C)(C)C(F)(F)F)C(C)C ZINC001755817465 1201084250 /nfs/dbraw/zinc/08/42/50/1201084250.db2.gz MUYCEJKWTSIICM-UHFFFAOYSA-N 0 3 320.399 3.157 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccc(C)cc2)C1 ZINC001698587047 1201260834 /nfs/dbraw/zinc/26/08/34/1201260834.db2.gz YLJNFHAZXBXQBB-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(CC)cc1)C1CC1 ZINC001698650684 1201314696 /nfs/dbraw/zinc/31/46/96/1201314696.db2.gz BOWDYKNOOSPZFU-GOSISDBHSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2ccoc2)CCCC[C@@H]1C ZINC001698655377 1201319193 /nfs/dbraw/zinc/31/91/93/1201319193.db2.gz PGHDKPGAQHOECE-GUYCJALGSA-N 0 3 324.852 3.229 20 30 DGEDHN C=C(C)C[NH2+]C[C@@]1(NC(=O)c2ccccc2[O-])CCCC[C@@H]1C ZINC001698657204 1201322006 /nfs/dbraw/zinc/32/20/06/1201322006.db2.gz OUBCTVLZMBEGQS-KXBFYZLASA-N 0 3 316.445 3.237 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001698731769 1201372535 /nfs/dbraw/zinc/37/25/35/1201372535.db2.gz IHSKVEWQMJBSSZ-QWHCGFSZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCc2cnc(C)s2)CC1 ZINC001698843576 1201499653 /nfs/dbraw/zinc/49/96/53/1201499653.db2.gz QUFKHLGKUDXWRU-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccccn1)C1CCCCC1 ZINC001698876204 1201538272 /nfs/dbraw/zinc/53/82/72/1201538272.db2.gz ABGAFGBVVRFMCI-GOSISDBHSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC001698905662 1201565965 /nfs/dbraw/zinc/56/59/65/1201565965.db2.gz RBRFOTXYSSLBMC-KVNDZABWSA-N 0 3 310.869 3.456 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(F)c1 ZINC001698984846 1201645128 /nfs/dbraw/zinc/64/51/28/1201645128.db2.gz IOYQGJWXTOZBAI-INIZCTEOSA-N 0 3 318.436 3.471 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)CCc1ccc(Cl)cc1 ZINC001698985357 1201645892 /nfs/dbraw/zinc/64/58/92/1201645892.db2.gz OJFCVRBGIVFVJP-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)Cc1ccc(C(F)F)cc1 ZINC001698984878 1201646955 /nfs/dbraw/zinc/64/69/55/1201646955.db2.gz JHCCFMTXMVWJNU-UHFFFAOYSA-N 0 3 322.399 3.318 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC1(c2ccccc2)CC1 ZINC001698989886 1201655240 /nfs/dbraw/zinc/65/52/40/1201655240.db2.gz QGBYTQVUGNPTAF-UHFFFAOYSA-N 0 3 300.446 3.075 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccccc1 ZINC001750931699 1201727285 /nfs/dbraw/zinc/72/72/85/1201727285.db2.gz XFZZCZLZVQIBJR-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccnc2)CC(C)(C)C1 ZINC001750941624 1201733415 /nfs/dbraw/zinc/73/34/15/1201733415.db2.gz ICECETFRNKNCOC-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCCCC(=O)NCCCN(C)Cc1cc(F)cc(F)c1 ZINC001752042048 1201767497 /nfs/dbraw/zinc/76/74/97/1201767497.db2.gz BHIGLOPNTXPJMT-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC001752309907 1201829434 /nfs/dbraw/zinc/82/94/34/1201829434.db2.gz HDBSMKNAMPMNBO-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccc(Cl)cc2)C1 ZINC001752392017 1201831206 /nfs/dbraw/zinc/83/12/06/1201831206.db2.gz QRHMDGFIAWWKRT-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC(C)(F)F)CC1 ZINC001752439084 1201838263 /nfs/dbraw/zinc/83/82/63/1201838263.db2.gz DDPNVYUCZOUFKS-UHFFFAOYSA-N 0 3 302.409 3.311 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cc(F)c[nH]2)CC1 ZINC001752440384 1201839275 /nfs/dbraw/zinc/83/92/75/1201839275.db2.gz VQCXCGLTHKZRAC-UHFFFAOYSA-N 0 3 307.413 3.047 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001752439469 1201839284 /nfs/dbraw/zinc/83/92/84/1201839284.db2.gz FUCVOVXJXMXZGR-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN CC1(CCC(=O)NC[C@@H](NCC#Cc2ccccc2)C2CC2)CC1 ZINC001752491939 1201853122 /nfs/dbraw/zinc/85/31/22/1201853122.db2.gz WESSGHWIYYOEPU-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(OC)c1C ZINC001699442773 1201877708 /nfs/dbraw/zinc/87/77/08/1201877708.db2.gz ATZWUDNLMCLENE-HNNXBMFYSA-N 0 3 318.461 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001752652119 1201884722 /nfs/dbraw/zinc/88/47/22/1201884722.db2.gz XUIVHFJQKRTTIL-HDJSIYSDSA-N 0 3 324.827 3.428 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)/C=C\C(C)(C)C ZINC001699447587 1201884716 /nfs/dbraw/zinc/88/47/16/1201884716.db2.gz ZLXXDZMROGOVJZ-WOLCWHLNSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001752663205 1201889018 /nfs/dbraw/zinc/88/90/18/1201889018.db2.gz FHRYGGJRQAPSQY-MPGHIAIKSA-N 0 3 304.409 3.165 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(C)c1 ZINC001699462254 1201899402 /nfs/dbraw/zinc/89/94/02/1201899402.db2.gz RPQLKRHNHRGFKJ-KRWDZBQOSA-N 0 3 300.446 3.125 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001752754828 1201907217 /nfs/dbraw/zinc/90/72/17/1201907217.db2.gz YQRRIAGQSONABM-BMFZPTHFSA-N 0 3 304.409 3.165 20 30 DGEDHN CCCCC1(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001752758722 1201907917 /nfs/dbraw/zinc/90/79/17/1201907917.db2.gz ZAGVOWJDRBGLPA-KDURUIRLSA-N 0 3 324.468 3.245 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001752782027 1201918935 /nfs/dbraw/zinc/91/89/35/1201918935.db2.gz COCNWDQVVSPASY-XLIONFOSSA-N 0 3 324.468 3.032 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001752781038 1201920057 /nfs/dbraw/zinc/92/00/57/1201920057.db2.gz KGTBKNLNEXSOSV-VUBAQRPUSA-N 0 3 324.468 3.332 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001752786173 1201920709 /nfs/dbraw/zinc/92/07/09/1201920709.db2.gz MIYXPJOOPHADFW-MJGOQNOKSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2cnccc2C)C1 ZINC001752786380 1201920851 /nfs/dbraw/zinc/92/08/51/1201920851.db2.gz RBMMRKCDEIKUHE-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1ccc(Cl)cc1 ZINC001699549421 1201946834 /nfs/dbraw/zinc/94/68/34/1201946834.db2.gz HCTFLXFQNGEMMB-UHFFFAOYSA-N 0 3 315.244 3.073 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C/C=C\Cl ZINC001752831268 1201956490 /nfs/dbraw/zinc/95/64/90/1201956490.db2.gz CTCUDBDWDKVMGK-DSKWWVGFSA-N 0 3 322.880 3.388 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001752839478 1201963510 /nfs/dbraw/zinc/96/35/10/1201963510.db2.gz BKVBMXCQGOTONK-HOTGVXAUSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001752841068 1201966560 /nfs/dbraw/zinc/96/65/60/1201966560.db2.gz OFGUMBFYRABURZ-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001752881933 1201990702 /nfs/dbraw/zinc/99/07/02/1201990702.db2.gz KQOHADIYILEUMG-OLZOCXBDSA-N 0 3 321.490 3.286 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001699629441 1201993135 /nfs/dbraw/zinc/99/31/35/1201993135.db2.gz UHZTUVZPPYSAON-INIZCTEOSA-N 0 3 305.466 3.406 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001699636285 1202002286 /nfs/dbraw/zinc/00/22/86/1202002286.db2.gz YYJLHVBVDVWNFU-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001699639068 1202004599 /nfs/dbraw/zinc/00/45/99/1202004599.db2.gz MNJLVJRHXPQVFH-RDJZCZTQSA-N 0 3 323.440 3.394 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001753000678 1202050713 /nfs/dbraw/zinc/05/07/13/1202050713.db2.gz UGYMAKCHDBPEQY-IBGZPJMESA-N 0 3 310.441 3.124 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1ccnc(Cl)c1 ZINC001699752848 1202065193 /nfs/dbraw/zinc/06/51/93/1202065193.db2.gz IGGDWHAAVDPSGF-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C#CCNC[C@@H](NC(=O)CC1CCC1)c1ccc2ccccc2c1 ZINC001699788472 1202079202 /nfs/dbraw/zinc/07/92/02/1202079202.db2.gz DPRDAIPLSYUQBH-HXUWFJFHSA-N 0 3 320.436 3.410 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1scnc1C)C1CCCC1 ZINC001699793078 1202080994 /nfs/dbraw/zinc/08/09/94/1202080994.db2.gz QSBPVGSMDALFBC-OAHLLOKOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)CCc1ccc(F)c(F)c1 ZINC001753050488 1202083986 /nfs/dbraw/zinc/08/39/86/1202083986.db2.gz JWHRNVOPBRBETA-UHFFFAOYSA-N 0 3 324.415 3.158 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)CCC)C2 ZINC001699805262 1202086287 /nfs/dbraw/zinc/08/62/87/1202086287.db2.gz PGELWUBELZAQAG-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001699818035 1202095505 /nfs/dbraw/zinc/09/55/05/1202095505.db2.gz BYYPCTZHDOEUCN-UGSOOPFHSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCN(C)CCNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001753074528 1202104790 /nfs/dbraw/zinc/10/47/90/1202104790.db2.gz OMMDRFMBRLUAKG-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC001699844196 1202108793 /nfs/dbraw/zinc/10/87/93/1202108793.db2.gz AYYVZQOZIQVIIH-KRWDZBQOSA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cccc(C(F)F)c2)CC1 ZINC001699864557 1202120251 /nfs/dbraw/zinc/12/02/51/1202120251.db2.gz ZBWDDWCOYIOIDI-UHFFFAOYSA-N 0 3 320.383 3.089 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001699876461 1202132497 /nfs/dbraw/zinc/13/24/97/1202132497.db2.gz YMTILVRDLIXGLY-LJQANCHMSA-N 0 3 315.461 3.223 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](CCC)c1ccccn1 ZINC001753110298 1202141375 /nfs/dbraw/zinc/14/13/75/1202141375.db2.gz KQBALLJOSRWVGU-IAGOWNOFSA-N 0 3 315.461 3.122 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C(C)=C1CCCC1 ZINC001699981515 1202156661 /nfs/dbraw/zinc/15/66/61/1202156661.db2.gz JNAYRTHUQQXOKE-UHFFFAOYSA-N 0 3 310.441 3.129 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)/C(C)=C\C)CC1 ZINC001699983384 1202157613 /nfs/dbraw/zinc/15/76/13/1202157613.db2.gz DMJOVAJGRYBRBZ-BNCCVWRVSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cccc(F)c1 ZINC001700005388 1202160932 /nfs/dbraw/zinc/16/09/32/1202160932.db2.gz CKGOPPGDWUEFQJ-ZWKOTPCHSA-N 0 3 316.420 3.357 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001753149533 1202168287 /nfs/dbraw/zinc/16/82/87/1202168287.db2.gz FLCUSFUZLARSIK-UHFFFAOYSA-N 0 3 320.436 3.429 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001700077437 1202174032 /nfs/dbraw/zinc/17/40/32/1202174032.db2.gz FLYUJNBYYXVJSH-HNNXBMFYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC001753162390 1202177425 /nfs/dbraw/zinc/17/74/25/1202177425.db2.gz INUKRXDKMRGTPV-UHFFFAOYSA-N 0 3 300.446 3.364 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1C=CC=CC=C1 ZINC001700092632 1202178485 /nfs/dbraw/zinc/17/84/85/1202178485.db2.gz YTJYXRSCSBMWQR-UHFFFAOYSA-N 0 3 320.436 3.056 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC=CCC2)cc1 ZINC001700094868 1202179161 /nfs/dbraw/zinc/17/91/61/1202179161.db2.gz OLIYLISUOVKXCN-DLBZAZTESA-N 0 3 310.441 3.333 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)C3(C)CCC3)cccc2C1 ZINC001700122515 1202184539 /nfs/dbraw/zinc/18/45/39/1202184539.db2.gz CMUCQNBSTYHOJI-UHFFFAOYSA-N 0 3 312.457 3.427 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cccnc2C)CCC1 ZINC001700135761 1202189146 /nfs/dbraw/zinc/18/91/46/1202189146.db2.gz NTDPIGAULKNRFW-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC001753299104 1202200067 /nfs/dbraw/zinc/20/00/67/1202200067.db2.gz SQNZKPOSWNWKJU-OALUTQOASA-N 0 3 324.468 3.427 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC001753299106 1202200324 /nfs/dbraw/zinc/20/03/24/1202200324.db2.gz SQNZKPOSWNWKJU-RTBURBONSA-N 0 3 324.468 3.427 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)COc1ccccc1)c1ccccc1 ZINC001753302537 1202201094 /nfs/dbraw/zinc/20/10/94/1202201094.db2.gz DSJJBKBPSSWIPI-LJQANCHMSA-N 0 3 324.424 3.089 20 30 DGEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001753314752 1202206071 /nfs/dbraw/zinc/20/60/71/1202206071.db2.gz LMMBSPHWQALRBN-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)c2cccs2)C1 ZINC001753325451 1202212597 /nfs/dbraw/zinc/21/25/97/1202212597.db2.gz AHURTVZSHKZRDQ-JKSUJKDBSA-N 0 3 318.486 3.188 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](C)C(C)C)cc2C1 ZINC001700252877 1202218041 /nfs/dbraw/zinc/21/80/41/1202218041.db2.gz ZUJUFKRWOJFXBS-OAHLLOKOSA-N 0 3 300.446 3.487 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)F ZINC001700330792 1202239780 /nfs/dbraw/zinc/23/97/80/1202239780.db2.gz YLORNDFUAGLTSX-KRWDZBQOSA-N 0 3 318.436 3.416 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001700353817 1202246600 /nfs/dbraw/zinc/24/66/00/1202246600.db2.gz JREHDIQQGYZHAG-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C12CCC(CC1)C2(C)C ZINC001700360156 1202249095 /nfs/dbraw/zinc/24/90/95/1202249095.db2.gz BSTKCERLPYJSRG-WUJZJPHMSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C/C=C\Cc2ccccc2)C1 ZINC001753439466 1202254679 /nfs/dbraw/zinc/25/46/79/1202254679.db2.gz ONNBVQCFHRYRBA-QULHZPMSSA-N 0 3 312.457 3.284 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001753444894 1202256581 /nfs/dbraw/zinc/25/65/81/1202256581.db2.gz ARYFAYXPZFQJGB-SJLPKXTDSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001753451170 1202259934 /nfs/dbraw/zinc/25/99/34/1202259934.db2.gz YNINLAKQIFNYOW-CYBMUJFWSA-N 0 3 318.383 3.218 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001753461621 1202264499 /nfs/dbraw/zinc/26/44/99/1202264499.db2.gz KMZNVHLPIPWKEC-ZWKOTPCHSA-N 0 3 322.468 3.241 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)COC2CCC(C)CC2)C1 ZINC001753463965 1202265265 /nfs/dbraw/zinc/26/52/65/1202265265.db2.gz LHBRCAQNEGNBSW-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001700414080 1202266778 /nfs/dbraw/zinc/26/67/78/1202266778.db2.gz PFCUCUKBOOSTIA-RYUDHWBXSA-N 0 3 307.463 3.039 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001700431338 1202270643 /nfs/dbraw/zinc/27/06/43/1202270643.db2.gz QLNMTTDBAJBNPQ-DLBZAZTESA-N 0 3 314.473 3.347 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cc(C)ccc1OC ZINC001753482346 1202270988 /nfs/dbraw/zinc/27/09/88/1202270988.db2.gz DMYVADHBBMCOGT-INIZCTEOSA-N 0 3 318.461 3.200 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNCc1nccs1 ZINC001700440329 1202273359 /nfs/dbraw/zinc/27/33/59/1202273359.db2.gz RNRKZBXXMCTQTB-UHFFFAOYSA-N 0 3 323.506 3.320 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001700447253 1202274841 /nfs/dbraw/zinc/27/48/41/1202274841.db2.gz QBLRGIFBPIEHDY-WMLDXEAASA-N 0 3 314.901 3.495 20 30 DGEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001700460502 1202280995 /nfs/dbraw/zinc/28/09/95/1202280995.db2.gz MCXIUWKQCZEGFP-KGLIPLIRSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001700467951 1202284485 /nfs/dbraw/zinc/28/44/85/1202284485.db2.gz VYMBIRRKYLYULX-LBPRGKRZSA-N 0 3 301.434 3.006 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCC2(F)F)CCCCC1 ZINC001700511849 1202299742 /nfs/dbraw/zinc/29/97/42/1202299742.db2.gz KYCBBIJUZNZJQA-GFCCVEGCSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)CNCc1nc2ccccc2o1 ZINC001753616877 1202300765 /nfs/dbraw/zinc/30/07/65/1202300765.db2.gz KSLOMICMIFNWKE-CQSZACIVSA-N 0 3 315.417 3.026 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCCC(F)(F)F)CC2 ZINC001753674635 1202310973 /nfs/dbraw/zinc/31/09/73/1202310973.db2.gz ALCIOUMDBLUMTN-UHFFFAOYSA-N 0 3 318.383 3.220 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001700554705 1202312469 /nfs/dbraw/zinc/31/24/69/1202312469.db2.gz MDQKFASFIRNVHY-GFCCVEGCSA-N 0 3 324.827 3.034 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001700695025 1202337219 /nfs/dbraw/zinc/33/72/19/1202337219.db2.gz VDPRVXVADJPLEL-UHFFFAOYSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cscc1C)C(C)C ZINC001753826903 1202342843 /nfs/dbraw/zinc/34/28/43/1202342843.db2.gz FDTURFKIHMVMMP-CYBMUJFWSA-N 0 3 300.855 3.153 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001753829009 1202343093 /nfs/dbraw/zinc/34/30/93/1202343093.db2.gz MKKZMGVAFPRSFO-DQSGYLJSSA-N 0 3 312.457 3.125 20 30 DGEDHN CC(C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001700738080 1202345464 /nfs/dbraw/zinc/34/54/64/1202345464.db2.gz QTEARWDIKCWRMI-CQSZACIVSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001700820445 1202355654 /nfs/dbraw/zinc/35/56/54/1202355654.db2.gz CFYAZFVMMZCIBT-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCc3ccccc3)CCC[C@H]12 ZINC001700864136 1202361547 /nfs/dbraw/zinc/36/15/47/1202361547.db2.gz QYMUTGNWEQZHOO-PZJWPPBQSA-N 0 3 324.468 3.146 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](CC)c3ccccc3)CCC[C@H]12 ZINC001700865489 1202361590 /nfs/dbraw/zinc/36/15/90/1202361590.db2.gz IRNODERIOZGBPD-HFSMHLIXSA-N 0 3 324.468 3.317 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CCCC)C(C)C)CCC[C@@H]12 ZINC001700867124 1202361995 /nfs/dbraw/zinc/36/19/95/1202361995.db2.gz LTXCZABJGSPHGN-ZHALLVOQSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC001700882497 1202364987 /nfs/dbraw/zinc/36/49/87/1202364987.db2.gz ZIRDTQVFDBNEAK-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](CNCc2csc(C)n2)C1 ZINC001700901881 1202367638 /nfs/dbraw/zinc/36/76/38/1202367638.db2.gz NBZUTVSVFXMNNI-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(COC)c1)C(C)C ZINC001700973261 1202373645 /nfs/dbraw/zinc/37/36/45/1202373645.db2.gz FDPZROQVSMOUCP-UHFFFAOYSA-N 0 3 318.461 3.192 20 30 DGEDHN C=CCN(C)CCN(C(=O)COc1ccc(C)c(C)c1)C(C)C ZINC001700976286 1202374993 /nfs/dbraw/zinc/37/49/93/1202374993.db2.gz NKRBLMSKOWWMPZ-UHFFFAOYSA-N 0 3 318.461 3.037 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC001700979246 1202375444 /nfs/dbraw/zinc/37/54/44/1202375444.db2.gz BNVNPCDEACRGJS-AWEZNQCLSA-N 0 3 324.415 3.423 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC001700979247 1202375514 /nfs/dbraw/zinc/37/55/14/1202375514.db2.gz BNVNPCDEACRGJS-CQSZACIVSA-N 0 3 324.415 3.423 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1cccc(OC)c1)C(C)C ZINC001700981717 1202376118 /nfs/dbraw/zinc/37/61/18/1202376118.db2.gz WXBRGDDLGBMJDH-MRXNPFEDSA-N 0 3 318.461 3.154 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001701012913 1202381410 /nfs/dbraw/zinc/38/14/10/1202381410.db2.gz RNIXVDBAJOJXID-FUHWJXTLSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C=C(\C)CC)CC[C@@H]1C(F)(F)F ZINC001701015274 1202381643 /nfs/dbraw/zinc/38/16/43/1202381643.db2.gz PRPXUMRMWZVHBP-AMNUONFKSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001701029520 1202383403 /nfs/dbraw/zinc/38/34/03/1202383403.db2.gz WLEIDSBLVASEFU-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC001701050933 1202384978 /nfs/dbraw/zinc/38/49/78/1202384978.db2.gz OWNUSLKXOVXOGU-UHFFFAOYSA-N 0 3 324.468 3.334 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)Cc1ccccc1 ZINC001707050313 1202569533 /nfs/dbraw/zinc/56/95/33/1202569533.db2.gz CNLNBHGMJNDBGA-RBUKOAKNSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001707057595 1202570561 /nfs/dbraw/zinc/57/05/61/1202570561.db2.gz YXCWILCFCZQJLA-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC2CC(F)(F)C2)C1 ZINC001707106993 1202573555 /nfs/dbraw/zinc/57/35/55/1202573555.db2.gz JRQQAVJSLCUBHM-WCQYABFASA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCCC(C)C)C2)CC1 ZINC001707126537 1202574082 /nfs/dbraw/zinc/57/40/82/1202574082.db2.gz YBBQXVGPLAQUJP-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CC(C)C ZINC001707128878 1202574084 /nfs/dbraw/zinc/57/40/84/1202574084.db2.gz DKXYXCIFFVDDSQ-DZGCQCFKSA-N 0 3 300.874 3.392 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CCC(C)(C)c1ccccc1 ZINC001712991978 1202608430 /nfs/dbraw/zinc/60/84/30/1202608430.db2.gz CKXSJRGDEJVGMN-UHFFFAOYSA-N 0 3 314.473 3.206 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001712998235 1202608967 /nfs/dbraw/zinc/60/89/67/1202608967.db2.gz CUVFZZXBOXUYPK-CZUORRHYSA-N 0 3 323.868 3.059 20 30 DGEDHN CCN(CCCNC(=O)C#CC(C)C)[C@H](C)c1ccccc1F ZINC001713012513 1202610311 /nfs/dbraw/zinc/61/03/11/1202610311.db2.gz NXUXMOXCTKCNIP-MRXNPFEDSA-N 0 3 318.436 3.374 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc2cc(C)ccc2o1)C1CC1 ZINC001713049438 1202612788 /nfs/dbraw/zinc/61/27/88/1202612788.db2.gz IXCALDZXXWCEOR-UHFFFAOYSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C1CCN(CC=C)CC1)c1ccccc1 ZINC001713056803 1202613382 /nfs/dbraw/zinc/61/33/82/1202613382.db2.gz PKKVTZKCHALXBN-IBGZPJMESA-N 0 3 312.457 3.455 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCCN([C@@H](C)COC)C2)CCCCC1 ZINC001713063281 1202614341 /nfs/dbraw/zinc/61/43/41/1202614341.db2.gz TXSOIAOZHDTFIQ-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCCCC(C)(C)C)CC1 ZINC001713094671 1202616481 /nfs/dbraw/zinc/61/64/81/1202616481.db2.gz ITBQGUAGXPZDCS-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccsc2)CC1 ZINC001713099920 1202617066 /nfs/dbraw/zinc/61/70/66/1202617066.db2.gz IEPSFPAGNXUFJQ-UHFFFAOYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001713101480 1202617268 /nfs/dbraw/zinc/61/72/68/1202617268.db2.gz UQYIOLUQYKCSAX-BBWFWOEESA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2nccs2)CC1 ZINC001713101784 1202617335 /nfs/dbraw/zinc/61/73/35/1202617335.db2.gz AIFDADJMALWYKA-UHFFFAOYSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1ccccc1F)C1CC1 ZINC001713116419 1202618516 /nfs/dbraw/zinc/61/85/16/1202618516.db2.gz CWSWMVWLIAJKTM-INIZCTEOSA-N 0 3 304.409 3.022 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C ZINC001713140140 1202621505 /nfs/dbraw/zinc/62/15/05/1202621505.db2.gz QGVHMUUYSQEJBC-GASCZTMLSA-N 0 3 304.459 3.312 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001713144653 1202621998 /nfs/dbraw/zinc/62/19/98/1202621998.db2.gz XBGKXQGXBKRGKD-VHKIVQRHSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccc(F)c2Cl)C1 ZINC001713167184 1202623414 /nfs/dbraw/zinc/62/34/14/1202623414.db2.gz QNPFXNZPHOGPID-JOCQHMNTSA-N 0 3 324.827 3.428 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001713175891 1202624350 /nfs/dbraw/zinc/62/43/50/1202624350.db2.gz SGVLZXAMCKVOFU-WKILWMFISA-N 0 3 320.864 3.344 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001713187394 1202625282 /nfs/dbraw/zinc/62/52/82/1202625282.db2.gz JFONEYQHCNJUCJ-BETUJISGSA-N 0 3 310.800 3.182 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001713220183 1202628337 /nfs/dbraw/zinc/62/83/37/1202628337.db2.gz GQDQGUADELTENF-MSOLQXFVSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001713220185 1202628476 /nfs/dbraw/zinc/62/84/76/1202628476.db2.gz GQDQGUADELTENF-ROUUACIJSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001713251923 1202631522 /nfs/dbraw/zinc/63/15/22/1202631522.db2.gz NVVUGJHHKGUKNV-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001713258608 1202632568 /nfs/dbraw/zinc/63/25/68/1202632568.db2.gz AUCNSBGXNRVUSR-ZWKOTPCHSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1cc(F)ccc1F ZINC001713259070 1202632612 /nfs/dbraw/zinc/63/26/12/1202632612.db2.gz KYHBAQBFIPDJKA-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccc(Cl)c(OC)c1 ZINC001713313279 1202638293 /nfs/dbraw/zinc/63/82/93/1202638293.db2.gz HPBAKXVRQCDAIT-CYBMUJFWSA-N 0 3 324.852 3.299 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001713397861 1202645078 /nfs/dbraw/zinc/64/50/78/1202645078.db2.gz OCSJSWTXQRQWEQ-HSALFYBXSA-N 0 3 324.468 3.045 20 30 DGEDHN C[C@H](CCNC(=O)[C@@H](C)C(C)(C)C)NCc1ccccc1C#N ZINC001713410046 1202646922 /nfs/dbraw/zinc/64/69/22/1202646922.db2.gz DOMXUSZXTWZQCI-HUUCEWRRSA-N 0 3 315.461 3.225 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1ccsc1 ZINC001713415704 1202647349 /nfs/dbraw/zinc/64/73/49/1202647349.db2.gz HYOACHWQSAIABT-NEPJUHHUSA-N 0 3 300.855 3.089 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001713514964 1202663504 /nfs/dbraw/zinc/66/35/04/1202663504.db2.gz LIJHZLPYPRXPPJ-DOTOQJQBSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1occc1-c1ccccc1 ZINC001713547768 1202668306 /nfs/dbraw/zinc/66/83/06/1202668306.db2.gz IWTKJDLDNDTDGY-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001713550048 1202668797 /nfs/dbraw/zinc/66/87/97/1202668797.db2.gz MRUMVCHTKNBESQ-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN(CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1CC1 ZINC001713557942 1202670474 /nfs/dbraw/zinc/67/04/74/1202670474.db2.gz RXDCAUNTSLHKEN-QAQDUYKDSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CCC1CCCC1)c1ccccc1 ZINC001713697236 1202678094 /nfs/dbraw/zinc/67/80/94/1202678094.db2.gz ROMGUEIROMKLFQ-LJQANCHMSA-N 0 3 312.457 3.427 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(F)F)c1ccc(C(C)C)cc1 ZINC001713697143 1202678248 /nfs/dbraw/zinc/67/82/48/1202678248.db2.gz DWSZHOYCCPMWBW-INIZCTEOSA-N 0 3 322.399 3.235 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CCC(C)(F)F)c1ccccc1 ZINC001713700462 1202678551 /nfs/dbraw/zinc/67/85/51/1202678551.db2.gz JIEULPCFRBNNAX-HNNXBMFYSA-N 0 3 310.388 3.445 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](N[C@H](C)COC)c1ccccc1 ZINC001713699971 1202678571 /nfs/dbraw/zinc/67/85/71/1202678571.db2.gz CAGQRVRLLMFNOT-WBVHZDCISA-N 0 3 318.461 3.071 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC001713699580 1202678576 /nfs/dbraw/zinc/67/85/76/1202678576.db2.gz WVFZNVLBPLGSGF-HCXYKTFWSA-N 0 3 312.457 3.446 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C(F)F)CCC1)c1ccccc1 ZINC001713702343 1202678710 /nfs/dbraw/zinc/67/87/10/1202678710.db2.gz UTWXEQDYVOLNSC-HNNXBMFYSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001713716951 1202680697 /nfs/dbraw/zinc/68/06/97/1202680697.db2.gz APKYOOGPVSTZQF-QGZVFWFLSA-N 0 3 316.420 3.084 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CCCC(F)(F)F)C1 ZINC001713720379 1202681198 /nfs/dbraw/zinc/68/11/98/1202681198.db2.gz UZUKSTFNMGWOBP-CQSZACIVSA-N 0 3 318.383 3.055 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001713795791 1202691858 /nfs/dbraw/zinc/69/18/58/1202691858.db2.gz CLJOXVSIWYKPJM-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001713848539 1202695490 /nfs/dbraw/zinc/69/54/90/1202695490.db2.gz AVQGZLGUTHXUOA-MSOLQXFVSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2ccccc2F)C2CC2)C1 ZINC001713875352 1202697867 /nfs/dbraw/zinc/69/78/67/1202697867.db2.gz FBWXGSDYUAWFSS-KRWDZBQOSA-N 0 3 316.420 3.166 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001713947397 1202704604 /nfs/dbraw/zinc/70/46/04/1202704604.db2.gz KQEFZBCETCKEEG-QEJZJMRPSA-N 0 3 320.383 3.066 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001713957039 1202705864 /nfs/dbraw/zinc/70/58/64/1202705864.db2.gz QYOXIADPOCTAFN-IHRRRGAJSA-N 0 3 304.409 3.336 20 30 DGEDHN Cc1ccc(CN[C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)c(Cl)c1 ZINC001713984895 1202715156 /nfs/dbraw/zinc/71/51/56/1202715156.db2.gz BFCSIOGSPSWUTF-IYBDPMFKSA-N 0 3 318.848 3.045 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001713996635 1202720660 /nfs/dbraw/zinc/72/06/60/1202720660.db2.gz WGHZOAHSMCCOPF-IBGZPJMESA-N 0 3 312.457 3.221 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001714046886 1202749576 /nfs/dbraw/zinc/74/95/76/1202749576.db2.gz OGIFTGRTGKHFPW-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001714048458 1202750291 /nfs/dbraw/zinc/75/02/91/1202750291.db2.gz BRBURIGNMZQRKP-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCN(CC#CC)C1)c1ccccc1 ZINC001714047566 1202750299 /nfs/dbraw/zinc/75/02/99/1202750299.db2.gz BUSPKBLHBZSMFV-OALUTQOASA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCN(CC#CC)C2)CCCCC1 ZINC001714047745 1202750955 /nfs/dbraw/zinc/75/09/55/1202750955.db2.gz HEHLLMCNZVAJDO-GOSISDBHSA-N 0 3 316.489 3.365 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ccccc1Cl ZINC001714074925 1202762865 /nfs/dbraw/zinc/76/28/65/1202762865.db2.gz USKLMHJKUVWXST-HNNXBMFYSA-N 0 3 320.864 3.374 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)NCc1ccccc1Cl ZINC001714074926 1202763149 /nfs/dbraw/zinc/76/31/49/1202763149.db2.gz USKLMHJKUVWXST-OAHLLOKOSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC1(C(F)(F)F)CC1 ZINC001714108202 1202780368 /nfs/dbraw/zinc/78/03/68/1202780368.db2.gz OERQWGRWFQJODY-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001714237674 1202842640 /nfs/dbraw/zinc/84/26/40/1202842640.db2.gz GJJBAAYJWAARRE-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H](C)NCc2ccsc2)CCCCC1 ZINC001714308621 1202876654 /nfs/dbraw/zinc/87/66/54/1202876654.db2.gz HBTBYABHOVKCFD-OAHLLOKOSA-N 0 3 318.486 3.316 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)CCCc2ccccc2)cc1 ZINC001714321036 1202881458 /nfs/dbraw/zinc/88/14/58/1202881458.db2.gz LALJGOQHJMFENY-UHFFFAOYSA-N 0 3 320.436 3.049 20 30 DGEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@H](C)C(C)(C)C ZINC001714405983 1202915763 /nfs/dbraw/zinc/91/57/63/1202915763.db2.gz VTNACQROTPKCNL-CABCVRRESA-N 0 3 315.461 3.082 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001714452719 1202942017 /nfs/dbraw/zinc/94/20/17/1202942017.db2.gz DKWHQCHYNXWSDC-IBGZPJMESA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001714455384 1202944944 /nfs/dbraw/zinc/94/49/44/1202944944.db2.gz WZKURUZHLSNEGM-GOSISDBHSA-N 0 3 306.494 3.251 20 30 DGEDHN CC(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001714471187 1202952510 /nfs/dbraw/zinc/95/25/10/1202952510.db2.gz IOEVHPRGFDTUSO-HNNXBMFYSA-N 0 3 315.461 3.225 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001714473691 1202952895 /nfs/dbraw/zinc/95/28/95/1202952895.db2.gz UTVWZPHDHSPIMN-XXXXFFMBSA-N 0 3 324.896 3.296 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CC(C)(C)C(F)(F)F ZINC001714498552 1202964227 /nfs/dbraw/zinc/96/42/27/1202964227.db2.gz PAGWHLUCUHZREP-SNVBAGLBSA-N 0 3 314.779 3.202 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@](C)(CC)CCC)CC2 ZINC001714523884 1202977518 /nfs/dbraw/zinc/97/75/18/1202977518.db2.gz SXBMGYHADPJBGJ-SFHVURJKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1csc2cc(C)ccc12 ZINC001714545419 1202990250 /nfs/dbraw/zinc/99/02/50/1202990250.db2.gz GPZAHSJZMFKKNE-UHFFFAOYSA-N 0 3 302.443 3.447 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)CCc1ccccc1F ZINC001714559905 1203004024 /nfs/dbraw/zinc/00/40/24/1203004024.db2.gz FFBFXDIGQYTNHO-OAHLLOKOSA-N 0 3 306.425 3.019 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001714563221 1203004873 /nfs/dbraw/zinc/00/48/73/1203004873.db2.gz FLMKREPLUXDQRP-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC001714599815 1203038830 /nfs/dbraw/zinc/03/88/30/1203038830.db2.gz DINRBQSLUORBIT-DRHVUCGNSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)Cc1ccccc1F)C1CC1 ZINC001714672906 1203094251 /nfs/dbraw/zinc/09/42/51/1203094251.db2.gz FRXLFBQCHMVAHL-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001714733477 1203112340 /nfs/dbraw/zinc/11/23/40/1203112340.db2.gz ZOCSLEFREBWBAS-RYUDHWBXSA-N 0 3 307.265 3.344 20 30 DGEDHN C=CCN[C@H](CNC(=O)C#CC(C)C)c1ccc(C(C)C)cc1 ZINC001714834417 1203145148 /nfs/dbraw/zinc/14/51/48/1203145148.db2.gz ZYRFZQWICORCRL-LJQANCHMSA-N 0 3 312.457 3.402 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001714841040 1203147389 /nfs/dbraw/zinc/14/73/89/1203147389.db2.gz TYPGUMLJZOXPPD-JKSUJKDBSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccn1C(C)C)c1ccccc1 ZINC001714844518 1203149168 /nfs/dbraw/zinc/14/91/68/1203149168.db2.gz ZTNIDVLWZKQKRM-KRWDZBQOSA-N 0 3 311.429 3.316 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1cccc(CC)c1)c1ccccc1 ZINC001714849711 1203150790 /nfs/dbraw/zinc/15/07/90/1203150790.db2.gz YLSJDPFPDZPJKZ-HXUWFJFHSA-N 0 3 322.452 3.425 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001714864852 1203164296 /nfs/dbraw/zinc/16/42/96/1203164296.db2.gz FSHGICARZGALJD-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001714899566 1203185977 /nfs/dbraw/zinc/18/59/77/1203185977.db2.gz PILQOGWFUJBPNQ-LJQANCHMSA-N 0 3 324.468 3.031 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC=C)c1ccccc1 ZINC001714991232 1203228383 /nfs/dbraw/zinc/22/83/83/1203228383.db2.gz FJNPBHQSBMGNFR-GBESFXJTSA-N 0 3 310.441 3.208 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC)c1ccccc1 ZINC001714991522 1203228672 /nfs/dbraw/zinc/22/86/72/1203228672.db2.gz IRKUDISXLVEYIY-WDSOQIARSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccc(Cl)cc2)C1 ZINC001715004790 1203233227 /nfs/dbraw/zinc/23/32/27/1203233227.db2.gz QRHMDGFIAWWKRT-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001715023266 1203242261 /nfs/dbraw/zinc/24/22/61/1203242261.db2.gz FXBSZHSAKDWJRD-QZTJIDSGSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1cc(C)ns1 ZINC001715069789 1203262230 /nfs/dbraw/zinc/26/22/30/1203262230.db2.gz KXJHLASVCLUOAZ-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CCCC1 ZINC001715095623 1203271630 /nfs/dbraw/zinc/27/16/30/1203271630.db2.gz ZTDMRQGCPWGGJU-SOUVJXGZSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)cs1)C1CC1 ZINC001715106552 1203274250 /nfs/dbraw/zinc/27/42/50/1203274250.db2.gz GIDPUCOVJRATEC-OAHLLOKOSA-N 0 3 312.866 3.297 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C)cc1)C1CC1 ZINC001715122117 1203278708 /nfs/dbraw/zinc/27/87/08/1203278708.db2.gz LCMLCQYJBLBNIS-QGZVFWFLSA-N 0 3 306.837 3.236 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001715153463 1203285510 /nfs/dbraw/zinc/28/55/10/1203285510.db2.gz PXDHIVQHKNRPDW-OAHLLOKOSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001715162492 1203287392 /nfs/dbraw/zinc/28/73/92/1203287392.db2.gz RUQYAVUVFYOMER-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001715199977 1203294623 /nfs/dbraw/zinc/29/46/23/1203294623.db2.gz XVGKQIWUWWPJJJ-WMZJFQQLSA-N 0 3 310.869 3.007 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)cc1F)C(C)C ZINC001715508117 1203355633 /nfs/dbraw/zinc/35/56/33/1203355633.db2.gz YZUKQFKQGCMJLT-HNNXBMFYSA-N 0 3 312.816 3.231 20 30 DGEDHN C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001715525726 1203361155 /nfs/dbraw/zinc/36/11/55/1203361155.db2.gz FGGOIZRZJQEAQR-ZBFHGGJFSA-N 0 3 304.434 3.091 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCN(C)CCc2cccs2)CC1 ZINC001715529181 1203362802 /nfs/dbraw/zinc/36/28/02/1203362802.db2.gz NDHMGCCIPHRVDG-UHFFFAOYSA-N 0 3 320.502 3.427 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001715531711 1203363929 /nfs/dbraw/zinc/36/39/29/1203363929.db2.gz KKDCOAZQAWMFSF-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)cs1)C(C)C ZINC001715545735 1203369170 /nfs/dbraw/zinc/36/91/70/1203369170.db2.gz DRBYGMAPSGUGGM-GFCCVEGCSA-N 0 3 300.855 3.153 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCNCc1c(F)cccc1Cl ZINC001715642935 1203377159 /nfs/dbraw/zinc/37/71/59/1203377159.db2.gz WWGHDLVWFCDAAT-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(Cl)c1C ZINC001715646369 1203377230 /nfs/dbraw/zinc/37/72/30/1203377230.db2.gz MIDYLUDQWCSJCY-LLVKDONJSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC001715691505 1203381442 /nfs/dbraw/zinc/38/14/42/1203381442.db2.gz NWJPBIJRNYHMPO-BBWFWOEESA-N 0 3 320.864 3.273 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CCc1ccc(C(C)C)cc1 ZINC001715743787 1203386852 /nfs/dbraw/zinc/38/68/52/1203386852.db2.gz ZINUUUQXWMGSGK-UHFFFAOYSA-N 0 3 314.473 3.204 20 30 DGEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1ccc(C)c(F)c1 ZINC001715749490 1203387450 /nfs/dbraw/zinc/38/74/50/1203387450.db2.gz DBABUUPAOVMOKM-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CN[C@H](C)c1ccc(Cl)cc1 ZINC001715812324 1203394524 /nfs/dbraw/zinc/39/45/24/1203394524.db2.gz UNJUQNNFQLOKHU-LQYUOIDQSA-N 0 3 318.848 3.467 20 30 DGEDHN CCc1cccc(CN(C)CCN(C)C(=O)C#CC(C)(C)C)c1 ZINC001715819508 1203395523 /nfs/dbraw/zinc/39/55/23/1203395523.db2.gz QVSHNBWMNARZCM-UHFFFAOYSA-N 0 3 314.473 3.189 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001715851628 1203397811 /nfs/dbraw/zinc/39/78/11/1203397811.db2.gz HYUGMPYQOZARLI-VOTSOKGWSA-N 0 3 318.436 3.498 20 30 DGEDHN CCCC(C)(C)C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001715865372 1203398969 /nfs/dbraw/zinc/39/89/69/1203398969.db2.gz XKILIYCXENCGIK-WAYWQWQTSA-N 0 3 313.445 3.147 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](CC)Oc1ccccc1C ZINC001715958031 1203410840 /nfs/dbraw/zinc/41/08/40/1203410840.db2.gz MKMUCBRZCLISIA-QGZVFWFLSA-N 0 3 318.461 3.119 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001715966477 1203412822 /nfs/dbraw/zinc/41/28/22/1203412822.db2.gz IZTXZXWERDRSDA-XXUROBRHSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001715985313 1203416663 /nfs/dbraw/zinc/41/66/63/1203416663.db2.gz WEULAXFBDIZNRG-AWEZNQCLSA-N 0 3 300.402 3.113 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CCC1CCC1 ZINC001716013086 1203422453 /nfs/dbraw/zinc/42/24/53/1203422453.db2.gz GRKZKJPPHLAVRJ-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001716024106 1203426319 /nfs/dbraw/zinc/42/63/19/1203426319.db2.gz PKQSODTYRQBBQZ-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001716041676 1203432907 /nfs/dbraw/zinc/43/29/07/1203432907.db2.gz UYUKRXOPMGFPQC-RDTXWAMCSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1nccs1 ZINC001716068444 1203438533 /nfs/dbraw/zinc/43/85/33/1203438533.db2.gz ZUOPDWPUKAJRAP-KBPBESRZSA-N 0 3 321.490 3.120 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CNCc1ccc(Cl)s1 ZINC001716332149 1203459807 /nfs/dbraw/zinc/45/98/07/1203459807.db2.gz AHEWNSSKUNBBDU-VOTSOKGWSA-N 0 3 324.877 3.357 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CNCc1ccc(Cl)s1 ZINC001716332148 1203459908 /nfs/dbraw/zinc/45/99/08/1203459908.db2.gz AHEWNSSKUNBBDU-SREVYHEPSA-N 0 3 324.877 3.357 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001716451132 1203476353 /nfs/dbraw/zinc/47/63/53/1203476353.db2.gz YMWOAGHWFFIQAU-YVEFUNNKSA-N 0 3 322.399 3.403 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001716458079 1203477722 /nfs/dbraw/zinc/47/77/22/1203477722.db2.gz DEFKZQBINXZFND-RDJZCZTQSA-N 0 3 318.436 3.098 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(CC)cc1 ZINC001716490086 1203488866 /nfs/dbraw/zinc/48/88/66/1203488866.db2.gz VIRHVIMTJHCIDX-HNNXBMFYSA-N 0 3 302.462 3.398 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNCc1cc(C)no1 ZINC001716514600 1203497868 /nfs/dbraw/zinc/49/78/68/1203497868.db2.gz NNVUIWYWDGUWKE-RDJZCZTQSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CC1(c2ccccc2)CC1 ZINC001716545478 1203501244 /nfs/dbraw/zinc/50/12/44/1203501244.db2.gz QPBQKCIPZCVPBI-UHFFFAOYSA-N 0 3 320.864 3.299 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc(C(F)F)c1 ZINC001716580233 1203504034 /nfs/dbraw/zinc/50/40/34/1203504034.db2.gz WEGTTZGBJUPQOA-UHFFFAOYSA-N 0 3 316.779 3.428 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001716658716 1203515626 /nfs/dbraw/zinc/51/56/26/1203515626.db2.gz LMWHXVZZQVUKDZ-STQMWFEESA-N 0 3 308.388 3.346 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001716658715 1203515765 /nfs/dbraw/zinc/51/57/65/1203515765.db2.gz LMWHXVZZQVUKDZ-QWHCGFSZSA-N 0 3 308.388 3.346 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001716658714 1203516135 /nfs/dbraw/zinc/51/61/35/1203516135.db2.gz LMWHXVZZQVUKDZ-OLZOCXBDSA-N 0 3 308.388 3.346 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001716660077 1203516695 /nfs/dbraw/zinc/51/66/95/1203516695.db2.gz LMQOVSLPONXDOJ-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001716664038 1203518585 /nfs/dbraw/zinc/51/85/85/1203518585.db2.gz KCIYCJRZHYHEOW-GOEBONIOSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001716664795 1203518594 /nfs/dbraw/zinc/51/85/94/1203518594.db2.gz ZDSTVXPZUWUGTA-ROUUACIJSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001716664794 1203518901 /nfs/dbraw/zinc/51/89/01/1203518901.db2.gz ZDSTVXPZUWUGTA-QZTJIDSGSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001716665415 1203519626 /nfs/dbraw/zinc/51/96/26/1203519626.db2.gz LXDFZMHGSODCDQ-KRWDZBQOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001716667210 1203519756 /nfs/dbraw/zinc/51/97/56/1203519756.db2.gz WIXYXGJPTBHOHQ-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001716665416 1203519783 /nfs/dbraw/zinc/51/97/83/1203519783.db2.gz LXDFZMHGSODCDQ-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN CCCC[C@H](C)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001716679907 1203523603 /nfs/dbraw/zinc/52/36/03/1203523603.db2.gz FFWVQFDAOINBKM-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(CC#CC)C1 ZINC001716706376 1203529535 /nfs/dbraw/zinc/52/95/35/1203529535.db2.gz OFWYWIXKBWGHKQ-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001716735325 1203534428 /nfs/dbraw/zinc/53/44/28/1203534428.db2.gz NSWRNKFJPXRBIG-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CNC[C@@H](F)CC)CCCC1 ZINC001716791674 1203543365 /nfs/dbraw/zinc/54/33/65/1203543365.db2.gz NQDRLYPKNVFIRF-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@H](C)c2ccccc2F)CC1 ZINC001716798312 1203544344 /nfs/dbraw/zinc/54/43/44/1203544344.db2.gz OSOVJCUWXUNZAW-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC001716798922 1203544894 /nfs/dbraw/zinc/54/48/94/1203544894.db2.gz JNFFIJVCPQTIHR-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001716830671 1203549491 /nfs/dbraw/zinc/54/94/91/1203549491.db2.gz VFOVRGSJIBZJHD-AEFFLSMTSA-N 0 3 310.457 3.405 20 30 DGEDHN CCCCCCCN1CC[C@@](C)(NC(=O)c2snnc2C)C1 ZINC001716835284 1203550511 /nfs/dbraw/zinc/55/05/11/1203550511.db2.gz USFWIPNMTIUEAC-MRXNPFEDSA-N 0 3 324.494 3.011 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001716902245 1203566910 /nfs/dbraw/zinc/56/69/10/1203566910.db2.gz ZSPKLVMKDNKDMT-MJGOQNOKSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001716901705 1203566977 /nfs/dbraw/zinc/56/69/77/1203566977.db2.gz NXUXLDXNEUMRKH-XLIONFOSSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001716912739 1203568377 /nfs/dbraw/zinc/56/83/77/1203568377.db2.gz MGBOJZONECWYLC-UKRRQHHQSA-N 0 3 320.399 3.022 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1CC ZINC001716954130 1203569470 /nfs/dbraw/zinc/56/94/70/1203569470.db2.gz OHJSTVUYZXJSRM-GOSISDBHSA-N 0 3 312.457 3.372 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CC(F)(F)F ZINC001717038849 1203580619 /nfs/dbraw/zinc/58/06/19/1203580619.db2.gz RBGHRWRVTXKOQG-MELADBBJSA-N 0 3 318.383 3.216 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1oc(C)cc1C ZINC001717113004 1203585799 /nfs/dbraw/zinc/58/57/99/1203585799.db2.gz RPFWUUZLZOSIPO-UHFFFAOYSA-N 0 3 324.424 3.282 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cncc(CC)c1 ZINC001717112884 1203586017 /nfs/dbraw/zinc/58/60/17/1203586017.db2.gz CNXOHLJVYFVLAF-UHFFFAOYSA-N 0 3 323.440 3.192 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001717122206 1203588005 /nfs/dbraw/zinc/58/80/05/1203588005.db2.gz CFFAVCJWRAZBLP-BZUAXINKSA-N 0 3 319.449 3.042 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](CCC)c2ccccc2)CCC1 ZINC001717162386 1203594428 /nfs/dbraw/zinc/59/44/28/1203594428.db2.gz RDQHNUYOAUAAJG-GOSISDBHSA-N 0 3 312.457 3.222 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001717194280 1203597137 /nfs/dbraw/zinc/59/71/37/1203597137.db2.gz ODDXCSNTZVJBBB-SFHVURJKSA-N 0 3 316.420 3.100 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](C)C1CCCCC1 ZINC001717212271 1203603729 /nfs/dbraw/zinc/60/37/29/1203603729.db2.gz BCPIOXAIFOSVFG-QGZVFWFLSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccoc1 ZINC001717243006 1203608330 /nfs/dbraw/zinc/60/83/30/1203608330.db2.gz UTTODNGIUXCQML-IBGZPJMESA-N 0 3 324.424 3.403 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001717334300 1203619789 /nfs/dbraw/zinc/61/97/89/1203619789.db2.gz RUVGZAGXQHZNBB-KGLIPLIRSA-N 0 3 318.383 3.102 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccccc1C ZINC001717376756 1203631606 /nfs/dbraw/zinc/63/16/06/1203631606.db2.gz XJMDMXULSKOAQR-MJGOQNOKSA-N 0 3 314.473 3.282 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccccc1C1CC1 ZINC001717472672 1203655486 /nfs/dbraw/zinc/65/54/86/1203655486.db2.gz PJFRJIQAIQSROC-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C[C@@H](CNC(=O)CCC1(C)CC1)N(C)Cc1ccc(C#N)cc1 ZINC001717495737 1203665146 /nfs/dbraw/zinc/66/51/46/1203665146.db2.gz XWHBBTJKWLMTCB-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001717501633 1203667783 /nfs/dbraw/zinc/66/77/83/1203667783.db2.gz QUYNAKJXLHWVPD-KGLIPLIRSA-N 0 3 308.853 3.141 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2ccccn2)CCCCC1 ZINC001717523926 1203670951 /nfs/dbraw/zinc/67/09/51/1203670951.db2.gz JLCARLPZJVINPI-UHFFFAOYSA-N 0 3 315.461 3.347 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCCc1ccsc1 ZINC001717537335 1203676229 /nfs/dbraw/zinc/67/62/29/1203676229.db2.gz CDNPSXHHTVGZAW-KRWDZBQOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H](C)c2ccco2)C(C)(C)C1 ZINC001717587554 1203687367 /nfs/dbraw/zinc/68/73/67/1203687367.db2.gz HJQFUAYEJZPYKR-HOCLYGCPSA-N 0 3 304.434 3.176 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNCc2nc(C)cs2)C1 ZINC001717646102 1203693571 /nfs/dbraw/zinc/69/35/71/1203693571.db2.gz YRYKMASVCCZWDQ-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001717654154 1203694874 /nfs/dbraw/zinc/69/48/74/1203694874.db2.gz WYFZHNJSPVFNKI-JOCQHMNTSA-N 0 3 318.804 3.283 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1sccc1F ZINC001717665466 1203696529 /nfs/dbraw/zinc/69/65/29/1203696529.db2.gz BKLJYYCSZZRSNG-SNVBAGLBSA-N 0 3 304.818 3.128 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001717738602 1203707576 /nfs/dbraw/zinc/70/75/76/1203707576.db2.gz PZIRLGNPQZHAHL-IUODEOHRSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CC3(C)CCCCC3)CCC[C@H]12 ZINC001717838290 1203718956 /nfs/dbraw/zinc/71/89/56/1203718956.db2.gz SVTXGHUZYTXFIT-PXNSSMCTSA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2sccc2F)[C@@H]1C ZINC001717850976 1203721673 /nfs/dbraw/zinc/72/16/73/1203721673.db2.gz ASJDPUGEMRCOEQ-JSGCOSHPSA-N 0 3 310.438 3.436 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C2CC2)cc1)C(C)C ZINC001717952048 1203734400 /nfs/dbraw/zinc/73/44/00/1203734400.db2.gz BINVECGFBRCXKT-UHFFFAOYSA-N 0 3 312.457 3.370 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](CCC)C(C)C)CC2)CC1 ZINC001718004028 1203742859 /nfs/dbraw/zinc/74/28/59/1203742859.db2.gz ZZCMKSDKDRTXTK-GOSISDBHSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2nocc2C)[C@H](CC)C1 ZINC001723379041 1203966459 /nfs/dbraw/zinc/96/64/59/1203966459.db2.gz QVTOOTSLWZCSPY-HZPDHXFCSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001723429841 1203970546 /nfs/dbraw/zinc/97/05/46/1203970546.db2.gz PYJAGUGTNJNZEI-ZFWWWQNUSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001723433845 1203971329 /nfs/dbraw/zinc/97/13/29/1203971329.db2.gz TVUCAVKZRKNLMR-WBVHZDCISA-N 0 3 315.461 3.364 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001723444196 1203973013 /nfs/dbraw/zinc/97/30/13/1203973013.db2.gz YZYSEHNMYHKGTG-KRWDZBQOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001723447256 1203973462 /nfs/dbraw/zinc/97/34/62/1203973462.db2.gz SGOSFMIDKFSMKJ-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001723463317 1203975534 /nfs/dbraw/zinc/97/55/34/1203975534.db2.gz ZGPMPWIXRHEISF-ZWKOTPCHSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1ccc(F)cc1F ZINC001723470401 1203976215 /nfs/dbraw/zinc/97/62/15/1203976215.db2.gz NFDMJVIRGCIGTE-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN N#Cc1cccc(CNC2(CNC(=O)C[C@@H]3CC=CCC3)CC2)c1 ZINC001723546278 1203981476 /nfs/dbraw/zinc/98/14/76/1203981476.db2.gz ZAMAGCLZLJKEEH-MRXNPFEDSA-N 0 3 323.440 3.043 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001723547163 1203981725 /nfs/dbraw/zinc/98/17/25/1203981725.db2.gz UEOPFPABADEKPF-UHFFFAOYSA-N 0 3 318.486 3.297 20 30 DGEDHN C=CCCCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(F)F ZINC001723625703 1203985704 /nfs/dbraw/zinc/98/57/04/1203985704.db2.gz YYHNNGISOYMTCL-CABCVRRESA-N 0 3 314.420 3.453 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCCC(C)(C)C)C2)C1 ZINC001723718178 1203989971 /nfs/dbraw/zinc/98/99/71/1203989971.db2.gz IIAVOXOHBKBVRS-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)/C=C(/C)CC)C2 ZINC001724125060 1204006292 /nfs/dbraw/zinc/00/62/92/1204006292.db2.gz ACGNRHRRESDBDI-FCUDFIOSSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001724174465 1204011317 /nfs/dbraw/zinc/01/13/17/1204011317.db2.gz QFOONOZHECWWAU-SUMWQHHRSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001724174641 1204011625 /nfs/dbraw/zinc/01/16/25/1204011625.db2.gz KHFHMUHTWVNRRR-APWZRJJASA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccccc2C2CCC2)CC1 ZINC001724303406 1204019154 /nfs/dbraw/zinc/01/91/54/1204019154.db2.gz UNLNPSBXGJPAOU-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(C)sc2C)C1 ZINC001724329625 1204022395 /nfs/dbraw/zinc/02/23/95/1204022395.db2.gz WGFZMDCDBMSIMH-GOSISDBHSA-N 0 3 318.486 3.220 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)cccc2C)C1 ZINC001724333507 1204023322 /nfs/dbraw/zinc/02/33/22/1204023322.db2.gz OLNGPKDRCNICCF-IBGZPJMESA-N 0 3 300.446 3.321 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC001724618034 1204033762 /nfs/dbraw/zinc/03/37/62/1204033762.db2.gz RLNQGVSOHAZBQA-UHFFFAOYSA-N 0 3 322.408 3.022 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001724703700 1204038654 /nfs/dbraw/zinc/03/86/54/1204038654.db2.gz DFAGDKREOLZUBG-AWEZNQCLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2oc(C)nc2C)CC1 ZINC001724847790 1204055038 /nfs/dbraw/zinc/05/50/38/1204055038.db2.gz ZEMOJRNSFXHAHS-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2oc(C)nc2C)CC1 ZINC001724847792 1204055143 /nfs/dbraw/zinc/05/51/43/1204055143.db2.gz ZEMOJRNSFXHAHS-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CC#CC)C1 ZINC001724865840 1204060825 /nfs/dbraw/zinc/06/08/25/1204060825.db2.gz HIPPEEXXZAKFOY-RTBURBONSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001724995498 1204076724 /nfs/dbraw/zinc/07/67/24/1204076724.db2.gz OIGVRZSETMPXHT-HOCLYGCPSA-N 0 3 304.459 3.021 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)CCC ZINC001725031699 1204081951 /nfs/dbraw/zinc/08/19/51/1204081951.db2.gz HVRCTRXLPQHGNB-POZUXBRTSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)CCC ZINC001725031698 1204082117 /nfs/dbraw/zinc/08/21/17/1204082117.db2.gz HVRCTRXLPQHGNB-LSBZLQRGSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]2CN(C)CCOC(C)C)CCC1 ZINC001725043670 1204084602 /nfs/dbraw/zinc/08/46/02/1204084602.db2.gz BCZUPNFBCLUGPX-KRWDZBQOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001725072430 1204089394 /nfs/dbraw/zinc/08/93/94/1204089394.db2.gz YVZZDMTZNNUQOA-BNICSPFPSA-N 0 3 318.848 3.027 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001725100651 1204094584 /nfs/dbraw/zinc/09/45/84/1204094584.db2.gz ZDZDOWIMCKFNDM-CHWSQXEVSA-N 0 3 321.490 3.285 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)co2)CCCCC1 ZINC001725228156 1204121991 /nfs/dbraw/zinc/12/19/91/1204121991.db2.gz RBQRZZCXVYXRSN-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)C1CCC1 ZINC001725230037 1204122378 /nfs/dbraw/zinc/12/23/78/1204122378.db2.gz UVDNLMACKHLOBI-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCCN1Cc1ncccc1C ZINC001725238391 1204124828 /nfs/dbraw/zinc/12/48/28/1204124828.db2.gz NYPRDBWTPBPGAI-QGZVFWFLSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001725240335 1204125415 /nfs/dbraw/zinc/12/54/15/1204125415.db2.gz IBKBKUGCJKZPIJ-AWEZNQCLSA-N 0 3 314.420 3.359 20 30 DGEDHN C[C@@H](NC(=O)C#CC(C)(C)C)C1CN([C@H]2CCc3ccccc32)C1 ZINC001725248124 1204127559 /nfs/dbraw/zinc/12/75/59/1204127559.db2.gz MIYCJTYYMGLRPC-BEFAXECRSA-N 0 3 324.468 3.160 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001725246928 1204127621 /nfs/dbraw/zinc/12/76/21/1204127621.db2.gz IGMFNLQNBSDFHC-YJBOKZPZSA-N 0 3 322.493 3.127 20 30 DGEDHN C[C@@H](NC(=O)C#CC(C)(C)C)C1CN([C@@H]2CCc3ccccc32)C1 ZINC001725248127 1204127623 /nfs/dbraw/zinc/12/76/23/1204127623.db2.gz MIYCJTYYMGLRPC-DNVCBOLYSA-N 0 3 324.468 3.160 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001725265826 1204130255 /nfs/dbraw/zinc/13/02/55/1204130255.db2.gz LPHVYTNVDZHQDS-IAGOWNOFSA-N 0 3 314.473 3.186 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001725296619 1204135056 /nfs/dbraw/zinc/13/50/56/1204135056.db2.gz UYKOZZFSMYNVNP-QGZVFWFLSA-N 0 3 304.478 3.363 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001725360820 1204140869 /nfs/dbraw/zinc/14/08/69/1204140869.db2.gz UXRANWSMYLENEN-UVPYHEFZSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001725517361 1204164602 /nfs/dbraw/zinc/16/46/02/1204164602.db2.gz UAMUHDCZZBIWNH-NSHDSACASA-N 0 3 313.228 3.067 20 30 DGEDHN CCCCCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001725560691 1204168183 /nfs/dbraw/zinc/16/81/83/1204168183.db2.gz WTSPRTCNDXXRBN-MJGOQNOKSA-N 0 3 312.457 3.197 20 30 DGEDHN CC(C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C)=C1CCC1 ZINC001725589646 1204173720 /nfs/dbraw/zinc/17/37/20/1204173720.db2.gz XYHINYRAWRNZIQ-JXFKEZNVSA-N 0 3 322.452 3.118 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001725588770 1204173852 /nfs/dbraw/zinc/17/38/52/1204173852.db2.gz GZSJDBBGTYXOIE-ICSRJNTNSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@@H]1C ZINC001725593649 1204174288 /nfs/dbraw/zinc/17/42/88/1204174288.db2.gz MUSKSEHVSYAXRD-DZGCQCFKSA-N 0 3 322.399 3.400 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCC3CCCCC3)CCC[C@@H]12 ZINC001725628086 1204185290 /nfs/dbraw/zinc/18/52/90/1204185290.db2.gz LOWMIFXMGNLHNC-QUCCMNQESA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2nc(C)sc2C)C1 ZINC001725631106 1204185854 /nfs/dbraw/zinc/18/58/54/1204185854.db2.gz NIRROFGQPZYKLE-GJZGRUSLSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](CC)CCCCC)CCC[C@H]12 ZINC001725645291 1204190350 /nfs/dbraw/zinc/19/03/50/1204190350.db2.gz ZQFZFPMKJHAWDL-JENIJYKNSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C(C)C ZINC001725729070 1204202504 /nfs/dbraw/zinc/20/25/04/1204202504.db2.gz ZALJZPNXGWPXDY-GOSISDBHSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCCN(C)CCN(C(=O)CCc1cccc(C)c1)C(C)C ZINC001725730177 1204203269 /nfs/dbraw/zinc/20/32/69/1204203269.db2.gz DFOBTYDJUBUQEE-UHFFFAOYSA-N 0 3 314.473 3.120 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1cc(F)ccc1F)C(C)C ZINC001725732768 1204205235 /nfs/dbraw/zinc/20/52/35/1204205235.db2.gz LKKFGDSYPJSOGD-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1CC(C(C)(C)C)C1)C(C)C ZINC001725734319 1204206235 /nfs/dbraw/zinc/20/62/35/1204206235.db2.gz ZFJIINUUGYBVQL-UHFFFAOYSA-N 0 3 306.494 3.251 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(F)ccc1CC)C(C)C ZINC001725767846 1204217529 /nfs/dbraw/zinc/21/75/29/1204217529.db2.gz ROPOEOYKVIFWNK-UHFFFAOYSA-N 0 3 306.425 3.357 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CCN(Cc2ccccn2)CC1 ZINC001725769355 1204217773 /nfs/dbraw/zinc/21/77/73/1204217773.db2.gz HUTCEVZRVMDTNS-HNNXBMFYSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1=CCN(Cc2cccc(C)c2)CC1 ZINC001725820968 1204228041 /nfs/dbraw/zinc/22/80/41/1204228041.db2.gz SVSOSMNURQVRMO-UHFFFAOYSA-N 0 3 312.457 3.456 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCCc2ccc(C)s2)CC1 ZINC001725828198 1204228766 /nfs/dbraw/zinc/22/87/66/1204228766.db2.gz IAVAXCZKBGUXLI-UHFFFAOYSA-N 0 3 318.486 3.314 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)c(F)c1 ZINC001725832806 1204229581 /nfs/dbraw/zinc/22/95/81/1204229581.db2.gz GOZAEWJPTMPPDV-VQIMIIECSA-N 0 3 318.436 3.400 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H]2CCCN2CCOCCCC)CC1 ZINC001753112200 1204316777 /nfs/dbraw/zinc/31/67/77/1204316777.db2.gz XRAUKVPEKNBFCE-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001731298163 1204366119 /nfs/dbraw/zinc/36/61/19/1204366119.db2.gz WDWQEGCGQFGZJH-NVXWUHKLSA-N 0 3 320.864 3.341 20 30 DGEDHN C#CCN(CCCNC(=O)c1c(CC)oc2ccccc21)C1CC1 ZINC001731345889 1204380201 /nfs/dbraw/zinc/38/02/01/1204380201.db2.gz IMIPGLYNGLUPJX-UHFFFAOYSA-N 0 3 324.424 3.213 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001731380068 1204389464 /nfs/dbraw/zinc/38/94/64/1204389464.db2.gz XMTFWSYUAPILJR-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)n2cccc2)CC1 ZINC001731385048 1204390801 /nfs/dbraw/zinc/39/08/01/1204390801.db2.gz YLXOBRNIJMICOC-QGZVFWFLSA-N 0 3 317.477 3.328 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001731386079 1204392063 /nfs/dbraw/zinc/39/20/63/1204392063.db2.gz NUHNGNKQUJWGAG-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2occc2C)CC1 ZINC001731387829 1204392596 /nfs/dbraw/zinc/39/25/96/1204392596.db2.gz VBIJSAXNRSTCDO-UHFFFAOYSA-N 0 3 318.461 3.410 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)Cc2cncc(C)c2)C1 ZINC001731413505 1204403042 /nfs/dbraw/zinc/40/30/42/1204403042.db2.gz MAKXBVVXRNNLDO-KRWDZBQOSA-N 0 3 315.461 3.027 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOC1 ZINC001731426427 1204410006 /nfs/dbraw/zinc/41/00/06/1204410006.db2.gz PHAUJLAUUYUDNU-KURKYZTESA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001731425776 1204410082 /nfs/dbraw/zinc/41/00/82/1204410082.db2.gz QBIGKHCTQNIXKX-IGKNDFSCSA-N 0 3 304.478 3.453 20 30 DGEDHN C[C@H]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001731477342 1204425626 /nfs/dbraw/zinc/42/56/26/1204425626.db2.gz GFHKKXOVPGNASE-OJAHFUOMSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)CC1 ZINC001731485174 1204427788 /nfs/dbraw/zinc/42/77/88/1204427788.db2.gz NLQCKOBMGMMJAA-BETUJISGSA-N 0 3 317.260 3.289 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCCCC(C)C)C1 ZINC001731560339 1204461866 /nfs/dbraw/zinc/46/18/66/1204461866.db2.gz VRGYBRBOTRKERF-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001731626338 1204488487 /nfs/dbraw/zinc/48/84/87/1204488487.db2.gz HXOVEFSZBUQSCH-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2ccncc2s1 ZINC001731728888 1204526371 /nfs/dbraw/zinc/52/63/71/1204526371.db2.gz IRPUFXAZHUKGAF-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)CCc1ccccc1CC ZINC001731781894 1204553363 /nfs/dbraw/zinc/55/33/63/1204553363.db2.gz JDIQIARUAAMUQK-UHFFFAOYSA-N 0 3 302.462 3.052 20 30 DGEDHN C#CCCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001731788987 1204559294 /nfs/dbraw/zinc/55/92/94/1204559294.db2.gz QNSSGVUEFNIQLP-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN CCN(CCNC(=O)c1ccccc1C)Cc1cccc(C#N)c1 ZINC001731799073 1204567684 /nfs/dbraw/zinc/56/76/84/1204567684.db2.gz ZDEHJXLTVXZWQB-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CCN(CC)CCNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001731816761 1204581921 /nfs/dbraw/zinc/58/19/21/1204581921.db2.gz RQFVPNHIRXBPTG-UHFFFAOYSA-N 0 3 300.446 3.041 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1cc(C)sc1C ZINC001731823819 1204586745 /nfs/dbraw/zinc/58/67/45/1204586745.db2.gz LFNKWBMFSNAPIN-KRWDZBQOSA-N 0 3 318.486 3.249 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN(C/C=C\c2ccccc2)C1 ZINC001731845600 1204600235 /nfs/dbraw/zinc/60/02/35/1204600235.db2.gz HFPMXPGEYGWAKY-JNLAIUADSA-N 0 3 324.468 3.187 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCCC[C@H]1C1CC1)C1CC1 ZINC001731879936 1204620604 /nfs/dbraw/zinc/62/06/04/1204620604.db2.gz CZRGPBRHALVJOB-ROUUACIJSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C1CCC1)C1CCC1)C1CC1 ZINC001731881148 1204621886 /nfs/dbraw/zinc/62/18/86/1204621886.db2.gz YTCJZUVEYLQGQC-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C1CCCCCC1 ZINC001731897543 1204626850 /nfs/dbraw/zinc/62/68/50/1204626850.db2.gz XVDGWRABRBILML-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2sc(C)nc2C)CCC1 ZINC001731950962 1204635208 /nfs/dbraw/zinc/63/52/08/1204635208.db2.gz SMMRMGXNZKLNKJ-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C[C@H](CC(=O)N(C)CCNC/C=C\Cl)c1ccccc1 ZINC001731986479 1204640088 /nfs/dbraw/zinc/64/00/88/1204640088.db2.gz QNPGPFVFHMRXOK-YYRKOSNBSA-N 0 3 306.837 3.147 20 30 DGEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCC1 ZINC001732029596 1204654933 /nfs/dbraw/zinc/65/49/33/1204654933.db2.gz YAPOPHAZHNSWAR-HDICACEKSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001732073320 1204679554 /nfs/dbraw/zinc/67/95/54/1204679554.db2.gz PLVYSLIVPJDWJM-WGPYJDKQSA-N 0 3 310.869 3.288 20 30 DGEDHN CC(C)C#CC(=O)NCC1CN(Cc2ccccc2C(C)C)C1 ZINC001732125586 1204704636 /nfs/dbraw/zinc/70/46/36/1204704636.db2.gz IJVGTCPJSNVSAY-UHFFFAOYSA-N 0 3 312.457 3.017 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC=CCCC1 ZINC001732145708 1204713293 /nfs/dbraw/zinc/71/32/93/1204713293.db2.gz UTBUZLFECUZRFF-SQNIBIBYSA-N 0 3 302.462 3.374 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](CCC)c2ccccn2)C1 ZINC001732168063 1204724879 /nfs/dbraw/zinc/72/48/79/1204724879.db2.gz HVQXHAMBAGFBKX-DLBZAZTESA-N 0 3 315.461 3.074 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001732176332 1204730919 /nfs/dbraw/zinc/73/09/19/1204730919.db2.gz SOYVJBUBYLOYJY-PKOBYXMFSA-N 0 3 312.457 3.455 20 30 DGEDHN CC[C@@H](CNC(=O)[C@]1(C)CC=CCC1)NCC#Cc1ccccc1 ZINC001732200756 1204746765 /nfs/dbraw/zinc/74/67/65/1204746765.db2.gz RLTZTTIQADIVQA-PZJWPPBQSA-N 0 3 324.468 3.269 20 30 DGEDHN CC[C@@H](CNC(=O)CCC1(C)CC1)NCC#Cc1ccccc1 ZINC001732219673 1204756612 /nfs/dbraw/zinc/75/66/12/1204756612.db2.gz RSIWJSWITUDOFL-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H](CC)NCc1cccnc1)c1ccccc1 ZINC001732222313 1204758324 /nfs/dbraw/zinc/75/83/24/1204758324.db2.gz GQBUJJDZHZINOU-OALUTQOASA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccsc2C)CCCC1 ZINC001732228422 1204761335 /nfs/dbraw/zinc/76/13/35/1204761335.db2.gz IBTAUGYPGXSNEF-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)cc(F)c1)C1CC1 ZINC001732246847 1204768706 /nfs/dbraw/zinc/76/87/06/1204768706.db2.gz FXUYQHCOEIVDGS-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1cccc(C)c1)C1CC1 ZINC001732248418 1204769794 /nfs/dbraw/zinc/76/97/94/1204769794.db2.gz JVTJJTYYDOUFSP-GOSISDBHSA-N 0 3 320.864 3.165 20 30 DGEDHN C=CCCCC(=O)NCCC1CCN(Cc2conc2C)CC1 ZINC001732324079 1204791895 /nfs/dbraw/zinc/79/18/95/1204791895.db2.gz XIZIQKWXLVCIHN-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)CNCc1nc(C(C)(C)C)cs1 ZINC001732336578 1204797101 /nfs/dbraw/zinc/79/71/01/1204797101.db2.gz GQXYBBJZVBEFCT-ZDUSSCGKSA-N 0 3 323.506 3.249 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl ZINC001732353280 1204801887 /nfs/dbraw/zinc/80/18/87/1204801887.db2.gz FRSSXTDGBAHMTO-RMCZBGCRSA-N 0 3 307.265 3.250 20 30 DGEDHN CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001732435274 1204839643 /nfs/dbraw/zinc/83/96/43/1204839643.db2.gz DABDEMNTEPUSAP-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cccnc1)C1CCCCC1 ZINC001732473698 1204863095 /nfs/dbraw/zinc/86/30/95/1204863095.db2.gz BQPDHNDUIXPHRK-GOSISDBHSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nc(C)cs2)[C@H](C)C1 ZINC001732484431 1204867389 /nfs/dbraw/zinc/86/73/89/1204867389.db2.gz FCIGXOGGFDRWNA-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CCc1ccoc1 ZINC001732502226 1204874426 /nfs/dbraw/zinc/87/44/26/1204874426.db2.gz ZFXSBDNPTPBBIA-INIZCTEOSA-N 0 3 324.852 3.326 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1ccccc1F)C(C)C ZINC001732565856 1204898739 /nfs/dbraw/zinc/89/87/39/1204898739.db2.gz OVLYZPQHEONONI-INIZCTEOSA-N 0 3 306.425 3.268 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(OC)c1C)C(C)C ZINC001732568760 1204900309 /nfs/dbraw/zinc/90/03/09/1204900309.db2.gz DXZJHFQMSOHATF-HNNXBMFYSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](F)c1ccccc1)C(C)C ZINC001732569983 1204901023 /nfs/dbraw/zinc/90/10/23/1204901023.db2.gz RCQMJLQTWAIZPH-CABCVRRESA-N 0 3 312.816 3.180 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001732585017 1204909470 /nfs/dbraw/zinc/90/94/70/1204909470.db2.gz FUFQPHWCQSULTR-IYARVYRRSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)Cc2cccc(C)c2)C1 ZINC001732592496 1204914598 /nfs/dbraw/zinc/91/45/98/1204914598.db2.gz LYBCNADCOLJKRZ-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2cnoc2C)CCCC1 ZINC001732756497 1204938601 /nfs/dbraw/zinc/93/86/01/1204938601.db2.gz IVVUZJGTWLCUCG-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCC1(C(=O)N[C@H](C)CCNCC(=C)Cl)CCCCC1 ZINC001732761099 1204939910 /nfs/dbraw/zinc/93/99/10/1204939910.db2.gz YODDQJOIPLHTSE-OAHLLOKOSA-N 0 3 310.869 3.197 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001732899765 1204956858 /nfs/dbraw/zinc/95/68/58/1204956858.db2.gz LDWYINXROUOUSW-DKFQHHCZSA-N 0 3 304.409 3.190 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1F ZINC001732969273 1204968520 /nfs/dbraw/zinc/96/85/20/1204968520.db2.gz KGTGEHWPLFATRA-CABCVRRESA-N 0 3 304.409 3.175 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CN(C)C[C@H]2CCCCO2)CCCC1 ZINC001733067067 1205014979 /nfs/dbraw/zinc/01/49/79/1205014979.db2.gz CCECDBARTYDXHF-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001733222563 1205051903 /nfs/dbraw/zinc/05/19/03/1205051903.db2.gz YQVVAJMMOKVZLG-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001733227025 1205056756 /nfs/dbraw/zinc/05/67/56/1205056756.db2.gz WMRPIJMSKVOYEM-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001733234878 1205061806 /nfs/dbraw/zinc/06/18/06/1205061806.db2.gz XFEGQTHSWYOTAC-SJORKVTESA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCC(=O)N1CC[C@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001733289828 1205083269 /nfs/dbraw/zinc/08/32/69/1205083269.db2.gz UVHSXRCAWURXFT-SJLPKXTDSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001733295535 1205085215 /nfs/dbraw/zinc/08/52/15/1205085215.db2.gz MTRUYYLOEKKBSI-IEBWSBKVSA-N 0 3 322.468 3.427 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H]2CNC[C@H](F)CC)CCCCC1 ZINC001733354288 1205103362 /nfs/dbraw/zinc/10/33/62/1205103362.db2.gz IVELNBVDYREIMY-SJORKVTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001733405505 1205120518 /nfs/dbraw/zinc/12/05/18/1205120518.db2.gz WLYSFVOISYSMDX-IBGZPJMESA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCc2ccccc2)C1 ZINC001733412215 1205124155 /nfs/dbraw/zinc/12/41/55/1205124155.db2.gz QGSACMCCDPRMSZ-LJQANCHMSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc3c(s2)CCC3)C1 ZINC001733460292 1205142331 /nfs/dbraw/zinc/14/23/31/1205142331.db2.gz CYLFCJFCXCIFFK-GOSISDBHSA-N 0 3 318.486 3.255 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001733462994 1205144533 /nfs/dbraw/zinc/14/45/33/1205144533.db2.gz OJHITWPBFBXQAC-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001733464010 1205145562 /nfs/dbraw/zinc/14/55/62/1205145562.db2.gz SCDXATMCCIIXJP-VXIBKDFQSA-N 0 3 304.478 3.217 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001733469667 1205147843 /nfs/dbraw/zinc/14/78/43/1205147843.db2.gz YHYYNGYBRQGYFV-OAQYLSRUSA-N 0 3 324.468 3.419 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1CC ZINC001733517583 1205152162 /nfs/dbraw/zinc/15/21/62/1205152162.db2.gz HRRGSAKACWNZBF-ZCNNSNEGSA-N 0 3 324.468 3.065 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1CC=CCC1 ZINC001733570439 1205165545 /nfs/dbraw/zinc/16/55/45/1205165545.db2.gz ASUPPYOMVWXQQI-IBGZPJMESA-N 0 3 324.468 3.375 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC(F)(F)F ZINC001733600717 1205171213 /nfs/dbraw/zinc/17/12/13/1205171213.db2.gz NPRIPPCBQBJPAD-OLZOCXBDSA-N 0 3 318.383 3.216 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001733654259 1205177580 /nfs/dbraw/zinc/17/75/80/1205177580.db2.gz HHNPLZNEVSYTJV-GFCCVEGCSA-N 0 3 320.811 3.003 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H](C)C1 ZINC001733680093 1205182717 /nfs/dbraw/zinc/18/27/17/1205182717.db2.gz KAVRALMESUAXNA-IRXDYDNUSA-N 0 3 312.457 3.194 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC001733681460 1205183584 /nfs/dbraw/zinc/18/35/84/1205183584.db2.gz YEZJSYRAQAODQC-OAHLLOKOSA-N 0 3 324.399 3.430 20 30 DGEDHN C[C@@H](NC/C=C/Cl)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001733682538 1205184160 /nfs/dbraw/zinc/18/41/60/1205184160.db2.gz SOXMVLMMBTUSAS-HOZLCMLDSA-N 0 3 316.832 3.119 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001733694938 1205188192 /nfs/dbraw/zinc/18/81/92/1205188192.db2.gz NIETUIMFQWTWFU-IAGOWNOFSA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001733713381 1205191755 /nfs/dbraw/zinc/19/17/55/1205191755.db2.gz BEOGODJWBSHUHX-UHFFFAOYSA-N 0 3 316.420 3.148 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001733782556 1205217222 /nfs/dbraw/zinc/21/72/22/1205217222.db2.gz KOMUAQFORGVNJY-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001733901734 1205246674 /nfs/dbraw/zinc/24/66/74/1205246674.db2.gz RZWLJPHHTNPEBU-SJLPKXTDSA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@H]1C ZINC001733901163 1205246728 /nfs/dbraw/zinc/24/67/28/1205246728.db2.gz MRANSEOZGJSSSI-HZPDHXFCSA-N 0 3 306.494 3.441 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001733920764 1205254270 /nfs/dbraw/zinc/25/42/70/1205254270.db2.gz UYAKHTSHCUIQGA-DLBZAZTESA-N 0 3 324.896 3.346 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC001733932038 1205261461 /nfs/dbraw/zinc/26/14/61/1205261461.db2.gz DCVWXJODKVGVRE-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)OC1CCCCCC1 ZINC001733936400 1205265200 /nfs/dbraw/zinc/26/52/00/1205265200.db2.gz SBGIPLFWCVUNOO-SJORKVTESA-N 0 3 322.493 3.223 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001733966051 1205273572 /nfs/dbraw/zinc/27/35/72/1205273572.db2.gz XHXVIFJVZAYKDJ-CABCVRRESA-N 0 3 318.436 3.096 20 30 DGEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)CCCC ZINC001734013888 1205288685 /nfs/dbraw/zinc/28/86/85/1205288685.db2.gz JBUUVHRCNVUGGW-UHFFFAOYSA-N 0 3 319.287 3.159 20 30 DGEDHN C[C@@H](CNC(=O)C1CCCCC1)N(C)Cc1cccc(C#N)c1 ZINC001734026520 1205292568 /nfs/dbraw/zinc/29/25/68/1205292568.db2.gz RPBJVQYQXXNZTQ-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)CCc1ccccc1F ZINC001734039846 1205300184 /nfs/dbraw/zinc/30/01/84/1205300184.db2.gz SGUUEXPZGVODRD-HNNXBMFYSA-N 0 3 306.425 3.161 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001734062983 1205312959 /nfs/dbraw/zinc/31/29/59/1205312959.db2.gz ODXXASKPIFAGJT-CHWSQXEVSA-N 0 3 306.475 3.109 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc[nH]c2C)CCCCC1 ZINC001734086357 1205317707 /nfs/dbraw/zinc/31/77/07/1205317707.db2.gz BRDBAZGOPXXOIO-UHFFFAOYSA-N 0 3 309.841 3.098 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001734107135 1205325851 /nfs/dbraw/zinc/32/58/51/1205325851.db2.gz VYUMESTVRYCCSK-CVEARBPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001734119332 1205328877 /nfs/dbraw/zinc/32/88/77/1205328877.db2.gz NVWUPJTUXLDKQZ-QWHCGFSZSA-N 0 3 322.399 3.081 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001734122548 1205330159 /nfs/dbraw/zinc/33/01/59/1205330159.db2.gz PLMDXYPPNHBSOD-IRXDYDNUSA-N 0 3 312.457 3.378 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCc2ccc(F)cc2)C1 ZINC001734124425 1205330372 /nfs/dbraw/zinc/33/03/72/1205330372.db2.gz RGXDTNKBABXZIE-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CC2(C)CCCCC2)C(C)(C)C1 ZINC001734148262 1205335354 /nfs/dbraw/zinc/33/53/54/1205335354.db2.gz RNIFSKYRQZAABE-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC001734153641 1205337394 /nfs/dbraw/zinc/33/73/94/1205337394.db2.gz JLBLVEFXZTVNRM-CYBMUJFWSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001734220517 1205346078 /nfs/dbraw/zinc/34/60/78/1205346078.db2.gz KRNFKFHDQXIQRY-MGCOHNPYSA-N 0 3 318.751 3.068 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC001734259816 1205350574 /nfs/dbraw/zinc/35/05/74/1205350574.db2.gz JFAOMCKTJWEOHU-UONOGXRCSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001734294766 1205358551 /nfs/dbraw/zinc/35/85/51/1205358551.db2.gz FTQQKPMCJCHVAX-GFCCVEGCSA-N 0 3 305.249 3.098 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H](C)NCc1ccccc1Cl ZINC001734340041 1205367688 /nfs/dbraw/zinc/36/76/88/1205367688.db2.gz WUFKRVNOOCBVGP-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2sc(C)nc2C)C1 ZINC001734343412 1205368287 /nfs/dbraw/zinc/36/82/87/1205368287.db2.gz GARHDTXYRUSMJS-GFCCVEGCSA-N 0 3 321.490 3.053 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](CC)Cc1ccccc1C ZINC001734352262 1205369847 /nfs/dbraw/zinc/36/98/47/1205369847.db2.gz ZWGUCFZSKRGMDN-ROUUACIJSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001734414369 1205374391 /nfs/dbraw/zinc/37/43/91/1205374391.db2.gz AXWKSUVQNOWQTR-DSLXNQLJSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCCCCC(=O)N[C@]12CCC[C@@H]1N(C[C@H](F)CC)CC2 ZINC001734438033 1205377203 /nfs/dbraw/zinc/37/72/03/1205377203.db2.gz KGKBFFAYFAYJLA-AOIWGVFYSA-N 0 3 322.468 3.431 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cccc(C)c2)[C@H]1C ZINC001734464500 1205382944 /nfs/dbraw/zinc/38/29/44/1205382944.db2.gz YDNTVYTWMQZYLA-MJGOQNOKSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001734489515 1205386361 /nfs/dbraw/zinc/38/63/61/1205386361.db2.gz OHCDAQFCPHDSLL-WMLDXEAASA-N 0 3 316.445 3.187 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001734577578 1205399616 /nfs/dbraw/zinc/39/96/16/1205399616.db2.gz GOWPRNFWPBFKRY-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN CC[C@@H](F)CN1CCC([C@H](C)NC(=O)C#CC(C)(C)C)CC1 ZINC001734584484 1205400888 /nfs/dbraw/zinc/40/08/88/1205400888.db2.gz LCKPPKQHKWLART-GOEBONIOSA-N 0 3 310.457 3.001 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)CCCC)CC2)CC1 ZINC001734606075 1205405451 /nfs/dbraw/zinc/40/54/51/1205405451.db2.gz QNEGGPRKEKZLJB-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCCCC(=O)NC1(C2CCN(C[C@H](F)CC)CC2)CC1 ZINC001734607631 1205405525 /nfs/dbraw/zinc/40/55/25/1205405525.db2.gz YZMFZLISAGBNIS-QGZVFWFLSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001671916466 1197585807 /nfs/dbraw/zinc/58/58/07/1197585807.db2.gz MEQDKEIKWKKXJT-OAHLLOKOSA-N 0 3 312.866 3.419 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2nocc2C)C1 ZINC001266246872 1081574474 /nfs/dbraw/zinc/57/44/74/1081574474.db2.gz XZGQOBLJJGGECG-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001266252669 1081581214 /nfs/dbraw/zinc/58/12/14/1081581214.db2.gz XZUSXABBRJZDKL-WFASDCNBSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCCCC(=O)NCCN(C)Cc1ccc(C2CCC2)cc1 ZINC001480858375 1081582073 /nfs/dbraw/zinc/58/20/73/1081582073.db2.gz NPLZNJPDYQAWRE-UHFFFAOYSA-N 0 3 312.457 3.306 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccccc1C(C)C ZINC001480861308 1081590403 /nfs/dbraw/zinc/59/04/03/1081590403.db2.gz BMRYKEPBHNEFFV-UHFFFAOYSA-N 0 3 300.446 3.017 20 30 DGEDHN N#Cc1cnc(N2CCCc3ccc(CN)nc32)c2sccc21 ZINC001169589901 1081598500 /nfs/dbraw/zinc/59/85/00/1081598500.db2.gz DOUPXOYRMXYVOM-UHFFFAOYSA-N 0 3 321.409 3.106 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001211501993 1081631262 /nfs/dbraw/zinc/63/12/62/1081631262.db2.gz QZRTWCCSNXZBAM-CZUORRHYSA-N 0 3 306.475 3.002 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001266288755 1081633626 /nfs/dbraw/zinc/63/36/26/1081633626.db2.gz OLLPDOCXBODDLF-UHFFFAOYSA-N 0 3 301.434 3.007 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001266308197 1081654508 /nfs/dbraw/zinc/65/45/08/1081654508.db2.gz RKPYJBDOWFUEAN-AWEZNQCLSA-N 0 3 309.479 3.226 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001266320350 1081662242 /nfs/dbraw/zinc/66/22/42/1081662242.db2.gz ILUVKLUJCSPRID-FQEVSTJZSA-N 0 3 314.473 3.326 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@@H]2COCc2ccccc2)cc1 ZINC001208925999 1081668421 /nfs/dbraw/zinc/66/84/21/1081668421.db2.gz CYKHQBACJLOLFO-HXUWFJFHSA-N 0 3 306.409 3.392 20 30 DGEDHN C=CCN(CCN(CC)Cc1ccc(F)cc1)C(=O)OCC ZINC001209021204 1081674279 /nfs/dbraw/zinc/67/42/79/1081674279.db2.gz SOTATRXQTDGKFX-UHFFFAOYSA-N 0 3 308.397 3.292 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc(OC)c(C)c1 ZINC001480869813 1081683500 /nfs/dbraw/zinc/68/35/00/1081683500.db2.gz UAZQNOCNTKCYGC-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001266360686 1081700635 /nfs/dbraw/zinc/70/06/35/1081700635.db2.gz BDFFBHMWTQLSDF-UXHICEINSA-N 0 3 320.436 3.347 20 30 DGEDHN C#CCCCN1CCN(Cc2cccnc2)c2nc(C)ccc2C1 ZINC001209266885 1081703726 /nfs/dbraw/zinc/70/37/26/1081703726.db2.gz FPWUKIXLOMPOEI-UHFFFAOYSA-N 0 3 320.440 3.021 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001266386432 1081729461 /nfs/dbraw/zinc/72/94/61/1081729461.db2.gz FQZGJLXVRLEIJJ-ROUUACIJSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)on1)C2 ZINC001108901225 1081733570 /nfs/dbraw/zinc/73/35/70/1081733570.db2.gz YECFDUFGABJABN-VYDXJSESSA-N 0 3 317.433 3.065 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)SC)C2 ZINC001108970337 1081745210 /nfs/dbraw/zinc/74/52/10/1081745210.db2.gz UYWVTLBHBSMVBP-WCVJEAGWSA-N 0 3 312.523 3.430 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209455684 1081757179 /nfs/dbraw/zinc/75/71/79/1081757179.db2.gz WJWKBRLPECMODT-DOMZBBRYSA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001156579337 1081764407 /nfs/dbraw/zinc/76/44/07/1081764407.db2.gz RURVCFQEPRYXNO-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2ccc(F)cc2)C1 ZINC001266416907 1081774296 /nfs/dbraw/zinc/77/42/96/1081774296.db2.gz QHPZEUGDPCGKOO-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC(C)(C)C)C2 ZINC001109328136 1081806794 /nfs/dbraw/zinc/80/67/94/1081806794.db2.gz HCUVBQKNZDFABN-IKGGRYGDSA-N 0 3 304.478 3.338 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(Cc3ccccc3)CC1)C2 ZINC001109413925 1081828385 /nfs/dbraw/zinc/82/83/85/1081828385.db2.gz PDLXUTXGSGTTKD-QYZOEREBSA-N 0 3 324.468 3.307 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1[C@H](C)c1cccc(OC)c1 ZINC001266450170 1081837953 /nfs/dbraw/zinc/83/79/53/1081837953.db2.gz JPNISNNZOMAGFU-NVXWUHKLSA-N 0 3 316.445 3.303 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCC(C)C ZINC001266478752 1081882973 /nfs/dbraw/zinc/88/29/73/1081882973.db2.gz UIZGQZXIKXQPMU-XWTMOSNGSA-N 0 3 322.493 3.077 20 30 DGEDHN CCc1ccc(CCN2CCN(c3ccccc3C#N)CC2)cc1 ZINC001167284003 1081902019 /nfs/dbraw/zinc/90/20/19/1081902019.db2.gz QFHIVLSMUFQHKX-UHFFFAOYSA-N 0 3 319.452 3.485 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001086534644 1081949171 /nfs/dbraw/zinc/94/91/71/1081949171.db2.gz RXCUGDZWUGLADH-MQMHXKEQSA-N 0 3 324.852 3.255 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001170069032 1081989310 /nfs/dbraw/zinc/98/93/10/1081989310.db2.gz TZKSPVAUYXUCNK-SSTBGOPISA-N 0 3 313.445 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CCC)Cc1ccc(F)cc1 ZINC001266568772 1082009984 /nfs/dbraw/zinc/00/99/84/1082009984.db2.gz SEWCDVDTDARGMQ-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001086560898 1082011187 /nfs/dbraw/zinc/01/11/87/1082011187.db2.gz BARJLZWVOHIPQV-RBSFLKMASA-N 0 3 312.885 3.440 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NC1=CC(=O)C[C@H](C)C1 ZINC001210775392 1082019444 /nfs/dbraw/zinc/01/94/44/1082019444.db2.gz IZDODLOKVXNLQU-CQSZACIVSA-N 0 3 313.445 3.042 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2cccc(C)c2)CC1 ZINC001113165846 1082130338 /nfs/dbraw/zinc/13/03/38/1082130338.db2.gz BMWLAKGAWIPZPV-SFHVURJKSA-N 0 3 314.473 3.427 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001266713613 1082163408 /nfs/dbraw/zinc/16/34/08/1082163408.db2.gz JGCAZLMCEPCZLV-ZDUSSCGKSA-N 0 3 310.388 3.430 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC001113377740 1082187193 /nfs/dbraw/zinc/18/71/93/1082187193.db2.gz KZUZBRIBWVPYDD-CYBMUJFWSA-N 0 3 306.372 3.218 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccccc2C)CC1 ZINC001113379257 1082188505 /nfs/dbraw/zinc/18/85/05/1082188505.db2.gz NKWQSHRJZVKFKW-SFHVURJKSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001266776386 1082210283 /nfs/dbraw/zinc/21/02/83/1082210283.db2.gz ZTYFNGRXBFIZGF-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1c(C)cccc1Cl ZINC001266799942 1082224606 /nfs/dbraw/zinc/22/46/06/1082224606.db2.gz IQMGYNCMBJHFET-UHFFFAOYSA-N 0 3 308.853 3.409 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CNCc2csc(C)n2)C1 ZINC001266805165 1082227665 /nfs/dbraw/zinc/22/76/65/1082227665.db2.gz WFAJCDDYPIHDBG-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc2ccsc21 ZINC001170180269 1082305659 /nfs/dbraw/zinc/30/56/59/1082305659.db2.gz SIIOVIUBDNIOJD-UHFFFAOYSA-N 0 3 308.834 3.363 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001266889869 1082305902 /nfs/dbraw/zinc/30/59/02/1082305902.db2.gz KOBADTPVJBVFSN-ROUUACIJSA-N 0 3 302.462 3.212 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001266894949 1082312018 /nfs/dbraw/zinc/31/20/18/1082312018.db2.gz LAILVYJFVCKNGN-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN CN(C)/C=N/c1ccc(NCc2ccc(C#N)s2)cc1C#N ZINC001170201858 1082318413 /nfs/dbraw/zinc/31/84/13/1082318413.db2.gz NWXRMPLTYBDZDV-RGVLZGJSSA-N 0 3 309.398 3.325 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001266967612 1082385402 /nfs/dbraw/zinc/38/54/02/1082385402.db2.gz HEKFTPIKSSCVQP-RDTXWAMCSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)NCc1ccc(OC)c(F)c1 ZINC001266968554 1082387659 /nfs/dbraw/zinc/38/76/59/1082387659.db2.gz SIKLSZNQICJAQF-FZKQIMNGSA-N 0 3 322.424 3.031 20 30 DGEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN([C@H](CC)c3ccc(F)cc3)C[C@H]21 ZINC001114025311 1082399997 /nfs/dbraw/zinc/39/99/97/1082399997.db2.gz KHHQBCFIXFLBJV-NTDBWNAOSA-N 0 3 316.420 3.289 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001086614449 1082415852 /nfs/dbraw/zinc/41/58/52/1082415852.db2.gz YFFSSGUJGNKYNU-ZGXWSNOMSA-N 0 3 324.468 3.193 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001167542923 1082486085 /nfs/dbraw/zinc/48/60/85/1082486085.db2.gz KGOGUXYMPUUTRA-GXTWGEPZSA-N 0 3 300.874 3.297 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)CC(C)C)CC1 ZINC001167556807 1082510889 /nfs/dbraw/zinc/51/08/89/1082510889.db2.gz MHUPJOWJXCLCFF-ZDUSSCGKSA-N 0 3 300.874 3.297 20 30 DGEDHN C#CC1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001130096728 1082524968 /nfs/dbraw/zinc/52/49/68/1082524968.db2.gz HUIQWDQUQWIWPZ-HXUWFJFHSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C)c2Cl)C1 ZINC001267113371 1082531935 /nfs/dbraw/zinc/53/19/35/1082531935.db2.gz JNGJBLIZEOZMHA-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001167578181 1082545376 /nfs/dbraw/zinc/54/53/76/1082545376.db2.gz IYRQCZBDBOBRFL-ZBFHGGJFSA-N 0 3 312.885 3.297 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(F)ccc1Cl ZINC001267146540 1082563242 /nfs/dbraw/zinc/56/32/42/1082563242.db2.gz RELLWFZXWCFDIE-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C[C@H](CCNC(=O)CCC1(C)CC1)NCc1ccccc1C#N ZINC001267152348 1082569583 /nfs/dbraw/zinc/56/95/83/1082569583.db2.gz ZPDPTBFNYUCREU-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1Cc1conc1C ZINC001267172049 1082595431 /nfs/dbraw/zinc/59/54/31/1082595431.db2.gz UIYPPNDKMQMXIS-MRXNPFEDSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1c1ccccc1 ZINC001211560579 1082623432 /nfs/dbraw/zinc/62/34/32/1082623432.db2.gz JUYDLMGFDYUIMC-FRRBRAEUSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1C ZINC001104432724 1082628529 /nfs/dbraw/zinc/62/85/29/1082628529.db2.gz QALLGEQKONBSFK-DNNBLBMLSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C1CCC(C(=O)NCCN(C)CCc2ccccc2)CC1 ZINC001267216435 1082649925 /nfs/dbraw/zinc/64/99/25/1082649925.db2.gz XMHBETUTIABIKR-UHFFFAOYSA-N 0 3 300.446 3.024 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001111892588 1082663505 /nfs/dbraw/zinc/66/35/05/1082663505.db2.gz XCIJZMPQUVVLGD-IEZWGBDMSA-N 0 3 304.478 3.360 20 30 DGEDHN CCN(CCNC(=O)c1cccc(C)c1)Cc1cccc(C#N)c1 ZINC001267235150 1082679189 /nfs/dbraw/zinc/67/91/89/1082679189.db2.gz UZGUXGWAXVGSJC-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN CCCC[C@@H](CC)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001131485433 1082680968 /nfs/dbraw/zinc/68/09/68/1082680968.db2.gz ZHGSLWRXAYASHU-CQSZACIVSA-N 0 3 321.490 3.432 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@H](C)CC(C)(C)C ZINC001167663653 1082685509 /nfs/dbraw/zinc/68/55/09/1082685509.db2.gz FYPAFJAUTLMVSK-LLVKDONJSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC=C(C)C)C2)C1 ZINC001131666771 1082700215 /nfs/dbraw/zinc/70/02/15/1082700215.db2.gz RQOTWEYPWHOZKG-PKOBYXMFSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)O[C@]2(CCN(CC=C(C)C)C2)C1 ZINC001131666768 1082700887 /nfs/dbraw/zinc/70/08/87/1082700887.db2.gz RQOTWEYPWHOZKG-HKUYNNGSSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCC(C)C)C[C@@H](C)O2 ZINC001131688242 1082703510 /nfs/dbraw/zinc/70/35/10/1082703510.db2.gz JDXCWDVQOHZJME-IEBWSBKVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@H](C)O2 ZINC001131688170 1082704050 /nfs/dbraw/zinc/70/40/50/1082704050.db2.gz HTGYMDQWPAZISS-QFBILLFUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1C ZINC001267278415 1082740901 /nfs/dbraw/zinc/74/09/01/1082740901.db2.gz JSERDHBXJXEARO-DLBZAZTESA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131900113 1082757985 /nfs/dbraw/zinc/75/79/85/1082757985.db2.gz TURYIYFWLXQESB-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN Cc1cccc(CN2C[C@H](NC(=O)C#CC(C)C)CC[C@H]2C)c1 ZINC001132018612 1082796442 /nfs/dbraw/zinc/79/64/42/1082796442.db2.gz XWQBOUGNLGBCLF-IEBWSBKVSA-N 0 3 312.457 3.124 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(CC2=CCCCC2)C1 ZINC001132016008 1082797062 /nfs/dbraw/zinc/79/70/62/1082797062.db2.gz CPVTVHSUOCDIIU-WMZOPIPTSA-N 0 3 302.462 3.115 20 30 DGEDHN Cc1cc(C)cc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)c1 ZINC001132034865 1082798742 /nfs/dbraw/zinc/79/87/42/1082798742.db2.gz VVPZEKMKIYNYSC-YLJYHZDGSA-N 0 3 324.468 3.186 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CCOCC)CCC2)CC[C@H]1C ZINC001132050543 1082801845 /nfs/dbraw/zinc/80/18/45/1082801845.db2.gz OMDFKOWRESTTCK-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC001267337602 1082813828 /nfs/dbraw/zinc/81/38/28/1082813828.db2.gz BKNAUSXHLMHMGU-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/Cc2ccccc2)CC[C@@H]1C ZINC001132115833 1082822391 /nfs/dbraw/zinc/82/23/91/1082822391.db2.gz KZDIFZQGHKSMBR-SUVIQUNHSA-N 0 3 312.457 3.331 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(Cl)cc2)CC[C@@H]1C ZINC001132207089 1082838404 /nfs/dbraw/zinc/83/84/04/1082838404.db2.gz QNCAUWYBSALDGT-YOEHRIQHSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CCC)CCC2)CC[C@@H]1C ZINC001132248734 1082853505 /nfs/dbraw/zinc/85/35/05/1082853505.db2.gz HVRADRKIJMDLPH-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CCC)CCC2)CC[C@H]1C ZINC001132248735 1082853559 /nfs/dbraw/zinc/85/35/59/1082853559.db2.gz HVRADRKIJMDLPH-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132236088 1082854279 /nfs/dbraw/zinc/85/42/79/1082854279.db2.gz YBRLQLUUECQWBZ-HKUYNNGSSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCCC(C)C)C1 ZINC001132252725 1082854388 /nfs/dbraw/zinc/85/43/88/1082854388.db2.gz JGVDOIOVALTYTH-QZTJIDSGSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132241042 1082857022 /nfs/dbraw/zinc/85/70/22/1082857022.db2.gz POSOLVJGMNPHMH-HZPDHXFCSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc2sccc21 ZINC001167678342 1082863654 /nfs/dbraw/zinc/86/36/54/1082863654.db2.gz YCHWDVBRLHPBBC-UHFFFAOYSA-N 0 3 322.861 3.292 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001132302263 1082871213 /nfs/dbraw/zinc/87/12/13/1082871213.db2.gz OYNWTNVADUVORL-UHFFFAOYSA-N 0 3 300.855 3.210 20 30 DGEDHN C=CCCCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001267421849 1082874508 /nfs/dbraw/zinc/87/45/08/1082874508.db2.gz SBKJSLMRGXGWHF-CYBMUJFWSA-N 0 3 310.388 3.430 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2C)CC[C@H]1C ZINC001132321969 1082885847 /nfs/dbraw/zinc/88/58/47/1082885847.db2.gz MUENSVXRFPOZNR-IEBWSBKVSA-N 0 3 314.473 3.473 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C(F)=C2CCCC2)C1 ZINC001267453519 1082887792 /nfs/dbraw/zinc/88/77/92/1082887792.db2.gz DQMNDOXHXASELW-MRXNPFEDSA-N 0 3 306.425 3.120 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1C ZINC001104518648 1082894562 /nfs/dbraw/zinc/89/45/62/1082894562.db2.gz ZNPKUKJMWMFJJR-FRFSOERESA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132384332 1082895139 /nfs/dbraw/zinc/89/51/39/1082895139.db2.gz LZNSGVYCEGQFSL-DLBZAZTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CC)CCCC2)CC[C@H]1C ZINC001132396195 1082898166 /nfs/dbraw/zinc/89/81/66/1082898166.db2.gz BPDZWPPFLFUYLH-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132445000 1082913372 /nfs/dbraw/zinc/91/33/72/1082913372.db2.gz JUKAJKJMTACSHK-RYUDHWBXSA-N 0 3 306.372 3.120 20 30 DGEDHN CCCCCCCCCC(=O)N[C@H]1CC[C@@H](C)N(CCO)C1 ZINC001132442266 1082911648 /nfs/dbraw/zinc/91/16/48/1082911648.db2.gz YELWIFRBHHNSGM-SJORKVTESA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC2CC(F)(F)C2)C1 ZINC001267465843 1082916667 /nfs/dbraw/zinc/91/66/67/1082916667.db2.gz JSJPCYXJVWSSAU-OAHLLOKOSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2sc(C)nc2C)CC[C@@H]1C ZINC001132469763 1082920265 /nfs/dbraw/zinc/92/02/65/1082920265.db2.gz WEUVNLHBHSNOMV-SWLSCSKDSA-N 0 3 321.490 3.309 20 30 DGEDHN CC(C)=CCN1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132504142 1082929456 /nfs/dbraw/zinc/92/94/56/1082929456.db2.gz GJOBEFWVKOCFHW-UYAOXDASSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCOC)C2)CCCCC1 ZINC001132508294 1082930273 /nfs/dbraw/zinc/93/02/73/1082930273.db2.gz GVCCWPDIQOCQPC-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001132529289 1082935451 /nfs/dbraw/zinc/93/54/51/1082935451.db2.gz LBFHAYAMEXAHDG-CHWSQXEVSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)s2)CC[C@H]1C ZINC001132541178 1082937555 /nfs/dbraw/zinc/93/75/55/1082937555.db2.gz BFAUCDIOZHGPHD-HIFRSBDPSA-N 0 3 306.475 3.144 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](F)c2ccccc2)C1 ZINC001267482497 1082938324 /nfs/dbraw/zinc/93/83/24/1082938324.db2.gz TULKMXBXAAKCLU-QZTJIDSGSA-N 0 3 316.420 3.033 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001132565814 1082947657 /nfs/dbraw/zinc/94/76/57/1082947657.db2.gz ZQZCFNHMUUSEMN-CVEARBPZSA-N 0 3 318.461 3.138 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C2CCC=CCC2)C1 ZINC001267496550 1082954889 /nfs/dbraw/zinc/95/48/89/1082954889.db2.gz VQUUXXMISACNFG-GOSISDBHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001132662885 1082974141 /nfs/dbraw/zinc/97/41/41/1082974141.db2.gz LLQVNHYEMPYREA-OLZOCXBDSA-N 0 3 310.388 3.334 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(CCC)CCC1)c1ccccc1 ZINC001267521452 1082981191 /nfs/dbraw/zinc/98/11/91/1082981191.db2.gz YVMJHIGRLLPBJG-GOSISDBHSA-N 0 3 312.457 3.427 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)Cc1ccco1)c1ccccc1 ZINC001267522931 1082983445 /nfs/dbraw/zinc/98/34/45/1082983445.db2.gz NFTJMJHSRBLZEQ-MAUKXSAKSA-N 0 3 312.413 3.091 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001267525944 1082987685 /nfs/dbraw/zinc/98/76/85/1082987685.db2.gz JHWPYDOLLBFGKY-GOSISDBHSA-N 0 3 312.388 3.403 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccccc2)C1 ZINC001267543773 1083012105 /nfs/dbraw/zinc/01/21/05/1083012105.db2.gz KIDPTLXHDJHAPZ-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2ccccc2)C1 ZINC001267543772 1083012355 /nfs/dbraw/zinc/01/23/55/1083012355.db2.gz KIDPTLXHDJHAPZ-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CCC(F)CC2)C1 ZINC001267547328 1083017037 /nfs/dbraw/zinc/01/70/37/1083017037.db2.gz WQAGXSUFDCQGQH-JCYILVPMSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2CCC(F)CC2)C1 ZINC001267547331 1083017695 /nfs/dbraw/zinc/01/76/95/1083017695.db2.gz WQAGXSUFDCQGQH-OFLPRAFFSA-N 0 3 310.457 3.404 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CCCCNC/C(Cl)=C\Cl ZINC001170647277 1083041105 /nfs/dbraw/zinc/04/11/05/1083041105.db2.gz FBJXTWGIRNDCMD-PCRWRXJSSA-N 0 3 319.276 3.229 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001133380809 1083110825 /nfs/dbraw/zinc/11/08/25/1083110825.db2.gz PFQYYINBRXUSKQ-PXAZEXFGSA-N 0 3 310.388 3.334 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001133381249 1083110891 /nfs/dbraw/zinc/11/08/91/1083110891.db2.gz ZRRACATWGJXZIX-AEFFLSMTSA-N 0 3 322.399 3.260 20 30 DGEDHN C=CCC1(C(=O)NCCN[C@H](C)c2cccc(F)c2)CCC1 ZINC001133398844 1083113243 /nfs/dbraw/zinc/11/32/43/1083113243.db2.gz PVSQKDGDNJFFHC-CQSZACIVSA-N 0 3 304.409 3.339 20 30 DGEDHN C=CCCC(=O)N(CCNCC#CC)Cc1cccc(Cl)c1 ZINC001133391003 1083114464 /nfs/dbraw/zinc/11/44/64/1083114464.db2.gz SIJYTZVFPZSPLH-UHFFFAOYSA-N 0 3 318.848 3.248 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](F)CC ZINC001133404096 1083115872 /nfs/dbraw/zinc/11/58/72/1083115872.db2.gz XREGHJIPDLCOIW-INIZCTEOSA-N 0 3 324.827 3.030 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)C ZINC001133410721 1083117678 /nfs/dbraw/zinc/11/76/78/1083117678.db2.gz XQKPETNYSSXJRZ-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1cc2ccccc2o1 ZINC001481051058 1083135208 /nfs/dbraw/zinc/13/52/08/1083135208.db2.gz YYQGYCVTKGSPOY-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001481059873 1083141757 /nfs/dbraw/zinc/14/17/57/1083141757.db2.gz FOXNHLCMHAENGG-RTBURBONSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001112001456 1083154504 /nfs/dbraw/zinc/15/45/04/1083154504.db2.gz YEKORPKFKINSRE-NSHGMRRFSA-N 0 3 310.441 3.113 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133606620 1083164412 /nfs/dbraw/zinc/16/44/12/1083164412.db2.gz MRNFCMKWQLEBDR-CVEARBPZSA-N 0 3 315.461 3.367 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2c(C)nsc2C)C1 ZINC001481096403 1083167111 /nfs/dbraw/zinc/16/71/11/1083167111.db2.gz RUMLQGYKXZTDGY-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1C ZINC001104654216 1083174191 /nfs/dbraw/zinc/17/41/91/1083174191.db2.gz CWGHKTIYFOLLST-UKRRQHHQSA-N 0 3 312.885 3.249 20 30 DGEDHN CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133708861 1083177830 /nfs/dbraw/zinc/17/78/30/1083177830.db2.gz ZSUXIMQPNDNKMA-KBPBESRZSA-N 0 3 319.424 3.260 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133839370 1083201677 /nfs/dbraw/zinc/20/16/77/1083201677.db2.gz FUQOFLYZZFURFL-LSHVTDEISA-N 0 3 313.445 3.287 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)/C(C)=C\CC ZINC001133839537 1083201799 /nfs/dbraw/zinc/20/17/99/1083201799.db2.gz GOTOBMTUAQRJLK-ZBKFBRRISA-N 0 3 317.271 3.124 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC001133888813 1083207504 /nfs/dbraw/zinc/20/75/04/1083207504.db2.gz NADYVFCKXSLDFM-CHWSQXEVSA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001086713468 1083207638 /nfs/dbraw/zinc/20/76/38/1083207638.db2.gz GXDPATBBKXIQQC-RWMBFGLXSA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1coc2ccc(CC)cc21 ZINC001481136859 1083208653 /nfs/dbraw/zinc/20/86/53/1083208653.db2.gz SEGBTCBGYIVFEZ-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001267624517 1083227378 /nfs/dbraw/zinc/22/73/78/1083227378.db2.gz HOMHXMIPHAVGQQ-SFHVURJKSA-N 0 3 323.440 3.052 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134113290 1083242422 /nfs/dbraw/zinc/24/24/22/1083242422.db2.gz BLGSQMTVNXNCMN-ZIAGYGMSSA-N 0 3 321.490 3.018 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134119118 1083245043 /nfs/dbraw/zinc/24/50/43/1083245043.db2.gz LURRPVHVGKUQQF-KBPBESRZSA-N 0 3 321.490 3.018 20 30 DGEDHN C#CCCCC(=O)NCC1CN(Cc2ccc3ccccc3c2)C1 ZINC001267680509 1083260337 /nfs/dbraw/zinc/26/03/37/1083260337.db2.gz NNROBHZIXFUROR-UHFFFAOYSA-N 0 3 320.436 3.191 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(Cc2c(C)cc(C)cc2C)C1 ZINC001267687552 1083265045 /nfs/dbraw/zinc/26/50/45/1083265045.db2.gz HMZQGBCZJVJOOV-UHFFFAOYSA-N 0 3 314.473 3.372 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2csc(CC)n2)CC1 ZINC001167721930 1083267297 /nfs/dbraw/zinc/26/72/97/1083267297.db2.gz FKCRWAOYCWFVKI-UHFFFAOYSA-N 0 3 319.518 3.407 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134469972 1083294286 /nfs/dbraw/zinc/29/42/86/1083294286.db2.gz KNDOALIEBLDZIF-STQMWFEESA-N 0 3 309.479 3.181 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001134470391 1083295984 /nfs/dbraw/zinc/29/59/84/1083295984.db2.gz PSAUVUXDBXIYLZ-QWHCGFSZSA-N 0 3 323.506 3.489 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001267749302 1083316621 /nfs/dbraw/zinc/31/66/21/1083316621.db2.gz FZOOTKYNHQADCX-RTBURBONSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267781340 1083343484 /nfs/dbraw/zinc/34/34/84/1083343484.db2.gz GEWFGBPZFDZIBK-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)C)NCC#Cc1ccccc1Cl ZINC001267794511 1083351526 /nfs/dbraw/zinc/35/15/26/1083351526.db2.gz WWVYMDICHSDDBZ-MRXNPFEDSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)(C)C)NCc1ccc(C#N)s1 ZINC001267796397 1083353194 /nfs/dbraw/zinc/35/31/94/1083353194.db2.gz OCPDPENZWCHRBQ-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001267853188 1083450551 /nfs/dbraw/zinc/45/05/51/1083450551.db2.gz MGEMGWKQWFHTTC-SMDDNHRTSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCCC[C@H]1C ZINC001267870587 1083492534 /nfs/dbraw/zinc/49/25/34/1083492534.db2.gz ODPQCSIMCTWNFC-DXFIHEEPSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001267891864 1083523794 /nfs/dbraw/zinc/52/37/94/1083523794.db2.gz XWOJEDVCZRMAPI-CABCVRRESA-N 0 3 312.885 3.393 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1c1ccccc1 ZINC001211655372 1083595477 /nfs/dbraw/zinc/59/54/77/1083595477.db2.gz IAXOFDPNIVVQOI-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccoc2C2CC2)cc1 ZINC001267938660 1083605544 /nfs/dbraw/zinc/60/55/44/1083605544.db2.gz FHWAKGZCLAZOPJ-UHFFFAOYSA-N 0 3 322.408 3.200 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001182112766 1083622967 /nfs/dbraw/zinc/62/29/67/1083622967.db2.gz DOPIQVGEPNMPBC-HZPDHXFCSA-N 0 3 316.420 3.271 20 30 DGEDHN Cc1cccc(C(=O)NC[C@H](C)CNCc2ccccc2C#N)c1 ZINC001267976119 1083684993 /nfs/dbraw/zinc/68/49/93/1083684993.db2.gz LOIKNLIPPSOJEL-MRXNPFEDSA-N 0 3 321.424 3.022 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1ccncc1Cl ZINC001267988585 1083704940 /nfs/dbraw/zinc/70/49/40/1083704940.db2.gz VRIOAARTBOEIPE-ZDUSSCGKSA-N 0 3 323.868 3.179 20 30 DGEDHN C=CCCCC(=O)N1CCC([C@H](C)NCc2nccs2)CC1 ZINC001481337685 1083785695 /nfs/dbraw/zinc/78/56/95/1083785695.db2.gz VXZSXBYMBXYJEA-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001481361027 1083819221 /nfs/dbraw/zinc/81/92/21/1083819221.db2.gz VFTFYWIUIHKACS-JCGIZDLHSA-N 0 3 300.446 3.399 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001182940432 1083849691 /nfs/dbraw/zinc/84/96/91/1083849691.db2.gz QPFODGORCIQBDW-MRXNPFEDSA-N 0 3 304.409 3.181 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cnc(CC)s2)C1 ZINC001481412196 1083884937 /nfs/dbraw/zinc/88/49/37/1083884937.db2.gz RMYRLCXRRWPRHN-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C[C@H](C#N)C(=O)NCC1(N[C@@H](C)c2ccccc2F)CCCC1 ZINC001268032155 1083909158 /nfs/dbraw/zinc/90/91/58/1083909158.db2.gz RYRSWKDGXYFPAJ-KGLIPLIRSA-N 0 3 317.408 3.065 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001183364939 1083928091 /nfs/dbraw/zinc/92/80/91/1083928091.db2.gz DXGRJDOKQMXRNU-RHSMWYFYSA-N 0 3 304.434 3.015 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(C)CC(F)(F)C2)CCCC1 ZINC001268041322 1083961034 /nfs/dbraw/zinc/96/10/34/1083961034.db2.gz SDESPDLJATVOPB-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)(C)CC)cc2)C1 ZINC001183508300 1083964276 /nfs/dbraw/zinc/96/42/76/1083964276.db2.gz PVYHZCFEIVLOQK-GOSISDBHSA-N 0 3 312.457 3.202 20 30 DGEDHN C#CCCCCCC(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001268045472 1083986027 /nfs/dbraw/zinc/98/60/27/1083986027.db2.gz AHBOXTKFGIQVTJ-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN C/C=C(/C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001268055751 1084051278 /nfs/dbraw/zinc/05/12/78/1084051278.db2.gz CGTIWVSNPBEEGG-NUKWSGDCSA-N 0 3 318.848 3.094 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001268079751 1084115915 /nfs/dbraw/zinc/11/59/15/1084115915.db2.gz DPBAQNVZXRKTMI-QGZVFWFLSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCCOc1ccccc1 ZINC001184369098 1084172842 /nfs/dbraw/zinc/17/28/42/1084172842.db2.gz GKLAMAOCBMQVAO-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2cncs2)CC(C)C)C1 ZINC001268111942 1084185630 /nfs/dbraw/zinc/18/56/30/1084185630.db2.gz SKYCFUMEMCUDFN-CQSZACIVSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CSC(C)C ZINC001268149967 1084238441 /nfs/dbraw/zinc/23/84/41/1084238441.db2.gz VFRDZGVPYPGCBL-AWEZNQCLSA-N 0 3 318.914 3.241 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001279274077 1084258192 /nfs/dbraw/zinc/25/81/92/1084258192.db2.gz NTCJPJRVKZMZFQ-UHFFFAOYSA-N 0 3 305.249 3.097 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001268182127 1084294550 /nfs/dbraw/zinc/29/45/50/1084294550.db2.gz UBEJGSHXFSKMDJ-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001268195441 1084307400 /nfs/dbraw/zinc/30/74/00/1084307400.db2.gz VBKLMPKOPSRQNE-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001185056667 1084323334 /nfs/dbraw/zinc/32/33/34/1084323334.db2.gz RSPIWOAQDKAKRM-IUODEOHRSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001268225394 1084356846 /nfs/dbraw/zinc/35/68/46/1084356846.db2.gz DIOFAMCZAOHVRH-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1-c1ccncc1 ZINC001268239620 1084386986 /nfs/dbraw/zinc/38/69/86/1084386986.db2.gz CZOZVALROIESFQ-UHFFFAOYSA-N 0 3 323.440 3.329 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001268257084 1084420943 /nfs/dbraw/zinc/42/09/43/1084420943.db2.gz SDHORCCSQIOPPC-WMZOPIPTSA-N 0 3 302.462 3.393 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](CC)CCCC)C1 ZINC001111813846 1084424005 /nfs/dbraw/zinc/42/40/05/1084424005.db2.gz CXYZVMRQACZBQT-LNLFQRSKSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](NCc3ccsc3)C2)CCC1 ZINC001185469362 1084448596 /nfs/dbraw/zinc/44/85/96/1084448596.db2.gz UGTJADIYMDFLGS-OAHLLOKOSA-N 0 3 304.459 3.185 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001481670261 1084464624 /nfs/dbraw/zinc/46/46/24/1084464624.db2.gz OCRYKXSWRJDITH-BPUTZDHNSA-N 0 3 302.418 3.150 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001481673911 1084470279 /nfs/dbraw/zinc/47/02/79/1084470279.db2.gz FXNDJKXJQSPFMC-JCECYMMASA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC001481709371 1084504777 /nfs/dbraw/zinc/50/47/77/1084504777.db2.gz VHIFQRLLLGAJGC-GFCCVEGCSA-N 0 3 312.866 3.101 20 30 DGEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)/C=C\C(C)(C)C ZINC001268352422 1084518926 /nfs/dbraw/zinc/51/89/26/1084518926.db2.gz ZIYBQELFUXDEIY-ZHUYAKLQSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCNCc1cnc(Cl)s1 ZINC001268369563 1084530553 /nfs/dbraw/zinc/53/05/53/1084530553.db2.gz BXLAOOZXMDUENL-NSHDSACASA-N 0 3 315.870 3.137 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1nc(C)c(C)s1 ZINC001268370381 1084532623 /nfs/dbraw/zinc/53/26/23/1084532623.db2.gz JYLFXSCOHIDDQI-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccnc2ccccc21 ZINC001268380869 1084545177 /nfs/dbraw/zinc/54/51/77/1084545177.db2.gz BDCOXZSSFIPEKY-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccnc2ccccc21 ZINC001268380871 1084545498 /nfs/dbraw/zinc/54/54/98/1084545498.db2.gz BDCOXZSSFIPEKY-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H]1CCCC1(F)F ZINC001268393604 1084556709 /nfs/dbraw/zinc/55/67/09/1084556709.db2.gz KOKDSKPQYOGGRK-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC/C=C\c2ccccc2)C1 ZINC001481741880 1084561128 /nfs/dbraw/zinc/56/11/28/1084561128.db2.gz UZZQQDGHRDWYAY-KEEQEYLASA-N 0 3 310.441 3.036 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNCc1nc(C)c(C)s1 ZINC001268398082 1084562465 /nfs/dbraw/zinc/56/24/65/1084562465.db2.gz UUJDMMZVXDXASU-SJKOYZFVSA-N 0 3 323.506 3.347 20 30 DGEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](CCC)CC2CCCCC2)C1 ZINC001186050042 1084583788 /nfs/dbraw/zinc/58/37/88/1084583788.db2.gz XEXCWKOHJULLKN-QZTJIDSGSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC001268415965 1084585079 /nfs/dbraw/zinc/58/50/79/1084585079.db2.gz HHVCRENWVOEFPM-NSHDSACASA-N 0 3 316.779 3.475 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)c(C)c1 ZINC001110379086 1084629535 /nfs/dbraw/zinc/62/95/35/1084629535.db2.gz VJWVJQARZBKKRO-QRVBRYPASA-N 0 3 312.457 3.491 20 30 DGEDHN C#CCCCC(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001126356748 1084673755 /nfs/dbraw/zinc/67/37/55/1084673755.db2.gz QNJFFFKWLKLUPS-LBPRGKRZSA-N 0 3 310.800 3.049 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H]1CC=CCC1)C1CC1 ZINC001481937480 1084718686 /nfs/dbraw/zinc/71/86/86/1084718686.db2.gz NMYPUAMHWLYJNX-WMLDXEAASA-N 0 3 310.869 3.360 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(C2=CCCC2)cc1 ZINC001268502959 1084739573 /nfs/dbraw/zinc/73/95/73/1084739573.db2.gz NJLCRODISRYLLZ-UHFFFAOYSA-N 0 3 310.441 3.329 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001481981661 1084744534 /nfs/dbraw/zinc/74/45/34/1084744534.db2.gz VMFPHLLNXCQEIZ-CQSZACIVSA-N 0 3 316.848 3.240 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001187208020 1084775335 /nfs/dbraw/zinc/77/53/35/1084775335.db2.gz CLWQSXVLAVYBAY-UWWQBHOKSA-N 0 3 316.420 3.386 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@](C)(F)CCCC)cc1 ZINC001482032306 1084784450 /nfs/dbraw/zinc/78/44/50/1084784450.db2.gz UGNWOYVSFMJPCV-LJQANCHMSA-N 0 3 318.436 3.334 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OC(C)(C)C)cc1 ZINC001187373073 1084791358 /nfs/dbraw/zinc/79/13/58/1084791358.db2.gz VHVLPRSQRYWWOQ-INIZCTEOSA-N 0 3 316.445 3.244 20 30 DGEDHN CCCCCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001268637200 1084906582 /nfs/dbraw/zinc/90/65/82/1084906582.db2.gz AQNYPTSCAZUNFE-OAHLLOKOSA-N 0 3 320.864 3.366 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2cc(F)cc(F)c2)CC1 ZINC001268703682 1084958103 /nfs/dbraw/zinc/95/81/03/1084958103.db2.gz PYBOBTVXDYMBPC-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001268733501 1084999371 /nfs/dbraw/zinc/99/93/71/1084999371.db2.gz XZJDRRULAFWLOH-INIZCTEOSA-N 0 3 314.473 3.468 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc2cc(C)ccc21 ZINC001268733023 1085000177 /nfs/dbraw/zinc/00/01/77/1085000177.db2.gz ROCHBRLDMCGURR-CYBMUJFWSA-N 0 3 302.443 3.446 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCc1csc(C)n1 ZINC001268739671 1085004834 /nfs/dbraw/zinc/00/48/34/1085004834.db2.gz CSHSRILYFATMOY-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268750698 1085023280 /nfs/dbraw/zinc/02/32/80/1085023280.db2.gz HXGQUDNCSINSLM-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cscc1C(F)F ZINC001268793744 1085054521 /nfs/dbraw/zinc/05/45/21/1085054521.db2.gz SGNBKKMVQZTKEA-UHFFFAOYSA-N 0 3 322.808 3.490 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1cccc(F)c1F ZINC001268795473 1085055380 /nfs/dbraw/zinc/05/53/80/1085055380.db2.gz GZBIGNXKMTUZAH-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001268934976 1085084587 /nfs/dbraw/zinc/08/45/87/1085084587.db2.gz MZXQNDXDOGIHOU-BPUTZDHNSA-N 0 3 302.418 3.150 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCc2ccccc21 ZINC001268974579 1085092104 /nfs/dbraw/zinc/09/21/04/1085092104.db2.gz WRAQGOQSFZUUTH-QYZOEREBSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001268974560 1085092493 /nfs/dbraw/zinc/09/24/93/1085092493.db2.gz WELHCNISQQEHKQ-XLAORIBOSA-N 0 3 302.462 3.064 20 30 DGEDHN CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC#Cc1ccccc1 ZINC001268988041 1085094626 /nfs/dbraw/zinc/09/46/26/1085094626.db2.gz JWRRZIROEFNPHO-PMACEKPBSA-N 0 3 324.468 3.150 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001269069591 1085112011 /nfs/dbraw/zinc/11/20/11/1085112011.db2.gz RYWPXTPTQMVGML-JSGCOSHPSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001269155682 1085170849 /nfs/dbraw/zinc/17/08/49/1085170849.db2.gz BCPXPTTVKAGQEP-OAHLLOKOSA-N 0 3 306.475 3.083 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269241199 1085231272 /nfs/dbraw/zinc/23/12/72/1085231272.db2.gz SCDXKCIUEKYWQF-FUHWJXTLSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001269255136 1085239147 /nfs/dbraw/zinc/23/91/47/1085239147.db2.gz MIIHHYDKXFBJQP-QGZVFWFLSA-N 0 3 315.461 3.249 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001269309203 1085287625 /nfs/dbraw/zinc/28/76/25/1085287625.db2.gz GGGQMIISMZISQY-AEFFLSMTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001269338042 1085314212 /nfs/dbraw/zinc/31/42/12/1085314212.db2.gz BQTRWIYKARPDTR-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001269338853 1085317172 /nfs/dbraw/zinc/31/71/72/1085317172.db2.gz UZIXYLIKEDYRBC-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN CC(C)CCCN1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001269349248 1085324367 /nfs/dbraw/zinc/32/43/67/1085324367.db2.gz BWFFRPNYAHZELV-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001269350879 1085330859 /nfs/dbraw/zinc/33/08/59/1085330859.db2.gz KZSYQDHMVPTNTA-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC[C@@H](CNC(=O)C1(C)CCCC1)NCC#Cc1ccccc1 ZINC001269441760 1085386085 /nfs/dbraw/zinc/38/60/85/1085386085.db2.gz AGCRDAUMKPXBOY-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1cc(C)ns1 ZINC001269467316 1085402453 /nfs/dbraw/zinc/40/24/53/1085402453.db2.gz UNZYWNZJTCHZEM-CZUORRHYSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2sccc2F)CCCC1 ZINC001269545404 1085457753 /nfs/dbraw/zinc/45/77/53/1085457753.db2.gz OWMAXLLOXDKGPY-UHFFFAOYSA-N 0 3 316.829 3.272 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001269549085 1085459299 /nfs/dbraw/zinc/45/92/99/1085459299.db2.gz CDXFZGXQPKPKCI-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001269572114 1085474370 /nfs/dbraw/zinc/47/43/70/1085474370.db2.gz HLANGUOBFVXGNA-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(C)ccc1F)C1CC1 ZINC001269637117 1085506877 /nfs/dbraw/zinc/50/68/77/1085506877.db2.gz AEWZYXFYZPCMBO-KRWDZBQOSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2c[nH]cc2C)CCCC[C@@H]1C ZINC001269675701 1085525069 /nfs/dbraw/zinc/52/50/69/1085525069.db2.gz BPSZNNJEAGUQSY-SUMWQHHRSA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2c[nH]cc2C)CCCC[C@H]1C ZINC001269675696 1085525477 /nfs/dbraw/zinc/52/54/77/1085525477.db2.gz BPSZNNJEAGUQSY-CXAGYDPISA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2c[nH]cc2C)CCCC[C@H]1C ZINC001269675698 1085525686 /nfs/dbraw/zinc/52/56/86/1085525686.db2.gz BPSZNNJEAGUQSY-DYVFJYSZSA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001269689295 1085527943 /nfs/dbraw/zinc/52/79/43/1085527943.db2.gz GFTAQRBCQSNFQV-AWEZNQCLSA-N 0 3 310.825 3.172 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001269689780 1085528032 /nfs/dbraw/zinc/52/80/32/1085528032.db2.gz PTKMRJWVBFKVAW-OAHLLOKOSA-N 0 3 306.837 3.271 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001269692463 1085530162 /nfs/dbraw/zinc/53/01/62/1085530162.db2.gz LLFIWFVCBFLYEG-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C[C@H](C)CC(C)(C)C)C2)CC1 ZINC001269714116 1085540149 /nfs/dbraw/zinc/54/01/49/1085540149.db2.gz NOFAKNMDWIDRLS-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001269761378 1085557164 /nfs/dbraw/zinc/55/71/64/1085557164.db2.gz ZYSYHHOGDXVWJM-AWEZNQCLSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1ccc(F)c(F)c1 ZINC001270015848 1085654911 /nfs/dbraw/zinc/65/49/11/1085654911.db2.gz OEACFBSBQQSDNH-AWEZNQCLSA-N 0 3 308.372 3.012 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccsc2C)cc1 ZINC001270060530 1085675037 /nfs/dbraw/zinc/67/50/37/1085675037.db2.gz OGPOPUZLTVZDHB-UHFFFAOYSA-N 0 3 312.438 3.099 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1ccc(F)c(F)c1 ZINC001270059292 1085675313 /nfs/dbraw/zinc/67/53/13/1085675313.db2.gz UVPXZQYCJLMNCN-OAHLLOKOSA-N 0 3 322.399 3.402 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@H](OC)C1 ZINC001211848123 1085838217 /nfs/dbraw/zinc/83/82/17/1085838217.db2.gz YAGLLPHVAAKVKA-RCCFBDPRSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1nc(C)c(C)s1 ZINC001270509410 1085839651 /nfs/dbraw/zinc/83/96/51/1085839651.db2.gz XUYVHGOCKXVYRO-YVEFUNNKSA-N 0 3 323.506 3.204 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CCCCC)[C@H](OC)C1 ZINC001211862148 1086075353 /nfs/dbraw/zinc/07/53/53/1086075353.db2.gz QWQQCRGXURENKX-IAGOWNOFSA-N 0 3 312.498 3.353 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001105391985 1086163276 /nfs/dbraw/zinc/16/32/76/1086163276.db2.gz QFAWFTLYSDDIIN-QFBILLFUSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1cc(Cl)ccc1OC ZINC001270914893 1086189194 /nfs/dbraw/zinc/18/91/94/1086189194.db2.gz RLZZSFHTXFWTGD-CYBMUJFWSA-N 0 3 324.852 3.251 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC001482443807 1086193768 /nfs/dbraw/zinc/19/37/68/1086193768.db2.gz RVIVFPOURINHAJ-CVEARBPZSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC001482443810 1086194630 /nfs/dbraw/zinc/19/46/30/1086194630.db2.gz RVIVFPOURINHAJ-JKSUJKDBSA-N 0 3 310.869 3.456 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001270948085 1086210524 /nfs/dbraw/zinc/21/05/24/1086210524.db2.gz OVIWXJOMQCUAOK-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cscc2Cl)C1 ZINC001270965863 1086223350 /nfs/dbraw/zinc/22/33/50/1086223350.db2.gz QHKOGCSLKGHWHQ-MRXNPFEDSA-N 0 3 324.877 3.257 20 30 DGEDHN C=Cc1ccc(C(=O)NC[C@]2(C)CCCN(CC#CC)C2)cc1 ZINC001270990746 1086236176 /nfs/dbraw/zinc/23/61/76/1086236176.db2.gz FBUDPBFXTXKBDM-FQEVSTJZSA-N 0 3 310.441 3.185 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001271007210 1086247265 /nfs/dbraw/zinc/24/72/65/1086247265.db2.gz KTNZHHDGHCRJJN-FQEVSTJZSA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@H]1CC ZINC001087640712 1086339914 /nfs/dbraw/zinc/33/99/14/1086339914.db2.gz SHHGXZZPFCFDCG-DLBZAZTESA-N 0 3 304.409 3.157 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@H]1CC ZINC001087648611 1086342043 /nfs/dbraw/zinc/34/20/43/1086342043.db2.gz VRPIWFLSLAOIQE-LSDHHAIUSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1CC ZINC001087706471 1086369207 /nfs/dbraw/zinc/36/92/07/1086369207.db2.gz VMRPPRPAOCSBKJ-LSDHHAIUSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1CC ZINC001087743221 1086391998 /nfs/dbraw/zinc/39/19/98/1086391998.db2.gz OXGOZXMOVPAMHQ-BBWFWOEESA-N 0 3 304.409 3.242 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@H]1CC ZINC001087758479 1086398981 /nfs/dbraw/zinc/39/89/81/1086398981.db2.gz XOTNRPUOZFUHSX-RBUKOAKNSA-N 0 3 310.441 3.415 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)[C@H]1CC ZINC001087765577 1086402936 /nfs/dbraw/zinc/40/29/36/1086402936.db2.gz AYILBDGNULGRMI-JKSUJKDBSA-N 0 3 322.836 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)[C@H]1CC ZINC001087787870 1086407784 /nfs/dbraw/zinc/40/77/84/1086407784.db2.gz UAUZLGZOAWMSGV-UONOGXRCSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H]1CC ZINC001087781569 1086407797 /nfs/dbraw/zinc/40/77/97/1086407797.db2.gz RJJOSQHEMLFNRP-ZWKOTPCHSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(C[C@@H](F)CC)C[C@H]3C2)CC1 ZINC001088092897 1086597022 /nfs/dbraw/zinc/59/70/22/1086597022.db2.gz BEUYGFDYQUJROP-SQNIBIBYSA-N 0 3 322.468 3.261 20 30 DGEDHN CC1(O)CCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141972094 1086603814 /nfs/dbraw/zinc/60/38/14/1086603814.db2.gz BIODIRUGMLRNJE-UHFFFAOYSA-N 0 3 311.450 3.495 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CCCCC)C2)CC1 ZINC001271436949 1086621922 /nfs/dbraw/zinc/62/19/22/1086621922.db2.gz DTEGWMUXIUUBGD-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001088170191 1086638431 /nfs/dbraw/zinc/63/84/31/1086638431.db2.gz IRISKBQXBBQGSM-KSZLIROESA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCc2ccoc2)C1 ZINC001088293548 1086771636 /nfs/dbraw/zinc/77/16/36/1086771636.db2.gz ZVRIDKDHFISQEI-MRXNPFEDSA-N 0 3 324.852 3.326 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001271819982 1086781126 /nfs/dbraw/zinc/78/11/26/1086781126.db2.gz YQJNCVPUJCOCKV-GOSISDBHSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCCCC(=O)NC[C@H](NCc1cc(C)ccc1F)C(C)C ZINC001271829189 1086784320 /nfs/dbraw/zinc/78/43/20/1086784320.db2.gz CBUULXLQDOQFGZ-SFHVURJKSA-N 0 3 318.436 3.168 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C12CCC(CC1)CC2 ZINC001271826634 1086784556 /nfs/dbraw/zinc/78/45/56/1086784556.db2.gz ITRHLQUGZSYYJX-UHFFFAOYSA-N 0 3 324.468 3.208 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1cccc(F)n1 ZINC001357689042 1086802745 /nfs/dbraw/zinc/80/27/45/1086802745.db2.gz IZARMFJWZXLXCA-RKDXNWHRSA-N 0 3 301.148 3.371 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(CC(C)C)CCCC3)C[C@@H]2C1 ZINC001271887747 1086809401 /nfs/dbraw/zinc/80/94/01/1086809401.db2.gz ONTRRHWWWMCXFY-HDICACEKSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc2[nH]ccc21)C(C)C ZINC001482552649 1086855273 /nfs/dbraw/zinc/85/52/73/1086855273.db2.gz JCAAPHOVSHKZMV-INIZCTEOSA-N 0 3 319.836 3.264 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001088378290 1086887857 /nfs/dbraw/zinc/88/78/57/1086887857.db2.gz DPGSDNCXTYPAJZ-LBPRGKRZSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccccc1OCC)C(C)C ZINC001482567322 1086930883 /nfs/dbraw/zinc/93/08/83/1086930883.db2.gz GINBDUJIXYEUGZ-HNNXBMFYSA-N 0 3 324.852 3.182 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(C)CCC(F)(F)CC1 ZINC001482608019 1087050038 /nfs/dbraw/zinc/05/00/38/1087050038.db2.gz FDTXAYICSUYPCF-UHFFFAOYSA-N 0 3 302.409 3.168 20 30 DGEDHN COc1ccc2c(c1)C[C@H](NC(=N)c1ccc3ccccc3n1)C2 ZINC001168242073 1087068134 /nfs/dbraw/zinc/06/81/34/1087068134.db2.gz VMRNFLHNKGVJCV-MRXNPFEDSA-N 0 3 317.392 3.116 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC001088572573 1087074351 /nfs/dbraw/zinc/07/43/51/1087074351.db2.gz VYAQSBCEYLMWAJ-BVBHFADKSA-N 0 3 312.457 3.335 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCO[C@@H]1CCCC[C@@H]1C ZINC001272080384 1087083352 /nfs/dbraw/zinc/08/33/52/1087083352.db2.gz MJTZGRHFSOHCCM-DLBZAZTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)CCc2ccccc2)CCC1 ZINC001482625802 1087091825 /nfs/dbraw/zinc/09/18/25/1087091825.db2.gz GZWQNLVFCLFRKC-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1cc(C)cc(C)c1 ZINC001272087089 1087115372 /nfs/dbraw/zinc/11/53/72/1087115372.db2.gz LROOWJOUPHKWQW-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)c3ccccc3c2)[C@H]1C ZINC001088608396 1087155540 /nfs/dbraw/zinc/15/55/40/1087155540.db2.gz XEVCJFRFKMCBFE-KUHUBIRLSA-N 0 3 324.399 3.195 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2C(CC)CC)[C@H]1C ZINC001088620079 1087221179 /nfs/dbraw/zinc/22/11/79/1087221179.db2.gz SPKXJBRBRPWSHV-ZBFHGGJFSA-N 0 3 318.465 3.013 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2nccc3ccsc32)[C@H]1C ZINC001088636289 1087240875 /nfs/dbraw/zinc/24/08/75/1087240875.db2.gz REIHSNAPUZIFPH-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@H]1C ZINC001088718243 1087317772 /nfs/dbraw/zinc/31/77/72/1087317772.db2.gz ZQLFNPOCLFCVOF-PBHICJAKSA-N 0 3 309.413 3.004 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)[C@H]1C ZINC001088778322 1087350289 /nfs/dbraw/zinc/35/02/89/1087350289.db2.gz WAUQGCVWMZWDOF-WBVHZDCISA-N 0 3 323.440 3.001 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H]1C ZINC001088825011 1087390043 /nfs/dbraw/zinc/39/00/43/1087390043.db2.gz JYSXWYRKPZIJBG-PBHICJAKSA-N 0 3 309.413 3.004 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)CN[C@@H](C)c2ccccc2F)cc1 ZINC001483155023 1087406767 /nfs/dbraw/zinc/40/67/67/1087406767.db2.gz LJVOCDPMPWKJMP-CABCVRRESA-N 0 3 324.399 3.276 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001483162943 1087408675 /nfs/dbraw/zinc/40/86/75/1087408675.db2.gz YMWOAGHWFFIQAU-SJKOYZFVSA-N 0 3 322.399 3.403 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cccnc2)CCCCC1 ZINC001483195375 1087415091 /nfs/dbraw/zinc/41/50/91/1087415091.db2.gz JRKXZQONBULFBY-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CCC1 ZINC001483258888 1087452013 /nfs/dbraw/zinc/45/20/13/1087452013.db2.gz VOKNOTLWZHJWBC-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483381365 1087486940 /nfs/dbraw/zinc/48/69/40/1087486940.db2.gz XFYRKZAFOQKYTM-KXBFYZLASA-N 0 3 313.445 3.097 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001483490025 1087514546 /nfs/dbraw/zinc/51/45/46/1087514546.db2.gz VWLWHLXNTZKSMF-IBGZPJMESA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2scnc2c1 ZINC001483502210 1087516828 /nfs/dbraw/zinc/51/68/28/1087516828.db2.gz QKFADTWZNNVEHM-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc3sccc32)[C@H]1C ZINC001088897105 1087600135 /nfs/dbraw/zinc/60/01/35/1087600135.db2.gz SJBKWNJSMMNLRW-CJNGLKHVSA-N 0 3 314.454 3.209 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001483655683 1087607265 /nfs/dbraw/zinc/60/72/65/1087607265.db2.gz RNLCSXGFYFYQFK-OCCSQVGLSA-N 0 3 308.372 3.124 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)s2)[C@H]1C ZINC001088966938 1087611441 /nfs/dbraw/zinc/61/14/41/1087611441.db2.gz JZLWMKQDRGWPEV-UPJWGTAASA-N 0 3 324.877 3.107 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)[C@H]1C ZINC001088990191 1087616216 /nfs/dbraw/zinc/61/62/16/1087616216.db2.gz JIQJYRMIBDNRRY-AEFFLSMTSA-N 0 3 314.473 3.428 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2coc3cc(C)ccc23)[C@H]1C ZINC001089023822 1087623349 /nfs/dbraw/zinc/62/33/49/1087623349.db2.gz USJOVMHPOPTGQG-PBHICJAKSA-N 0 3 312.413 3.049 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)[C@H]1C ZINC001089028600 1087624194 /nfs/dbraw/zinc/62/41/94/1087624194.db2.gz FBVZLGXDSHFHQS-DOMZBBRYSA-N 0 3 322.836 3.117 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001483672592 1087625392 /nfs/dbraw/zinc/62/53/92/1087625392.db2.gz HFQBYEYQMZQSRG-INIZCTEOSA-N 0 3 303.450 3.148 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001483678057 1087635175 /nfs/dbraw/zinc/63/51/75/1087635175.db2.gz UBZGGMBIFMCRNQ-INIZCTEOSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001483679519 1087638994 /nfs/dbraw/zinc/63/89/94/1087638994.db2.gz KCSAKTQLPXNNBH-TZMCWYRMSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001483680103 1087641362 /nfs/dbraw/zinc/64/13/62/1087641362.db2.gz VRTYLLSONNCIDO-IAGOWNOFSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](CC2CCCCC2)C(C)C)CCC1 ZINC001280524040 1087651796 /nfs/dbraw/zinc/65/17/96/1087651796.db2.gz YSODNVWNPZKZLZ-SFHVURJKSA-N 0 3 318.505 3.491 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC001483686447 1087653030 /nfs/dbraw/zinc/65/30/30/1087653030.db2.gz ORAIGOORMPOOKY-LSDHHAIUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001483701808 1087676837 /nfs/dbraw/zinc/67/68/37/1087676837.db2.gz KIFSQRMYNGPYOT-INIZCTEOSA-N 0 3 312.413 3.050 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001483706018 1087682322 /nfs/dbraw/zinc/68/23/22/1087682322.db2.gz LGYJTIKGVUMXEM-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN2C[C@@H](C)CC)CCCCC1 ZINC001483705939 1087682326 /nfs/dbraw/zinc/68/23/26/1087682326.db2.gz KHGLYPZKVFFYLF-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN CCCCCCCN1CCC[C@]12CCN(CC(F)F)C2=O ZINC001272477788 1087721383 /nfs/dbraw/zinc/72/13/83/1087721383.db2.gz CEGMUKDSEDIWCD-MRXNPFEDSA-N 0 3 302.409 3.289 20 30 DGEDHN CCCCCCCCN1CCCC[C@@]12CC(=O)N(C1COC1)C2 ZINC001272478487 1087723883 /nfs/dbraw/zinc/72/38/83/1087723883.db2.gz LETOGPNOXJMZBH-IBGZPJMESA-N 0 3 322.493 3.203 20 30 DGEDHN CCCCCCCCN1CCC[C@@]12CCN([C@H](C)C(C)=O)C2=O ZINC001272478798 1087725782 /nfs/dbraw/zinc/72/57/82/1087725782.db2.gz PVASWGVBGPZJCM-APWZRJJASA-N 0 3 322.493 3.391 20 30 DGEDHN C[C@H](N)c1ccn(-c2nc3cc(F)ccc3c(Cl)c2C#N)n1 ZINC001158355782 1087786445 /nfs/dbraw/zinc/78/64/45/1087786445.db2.gz KLIWPADSQSSUOZ-QMMMGPOBSA-N 0 3 315.739 3.104 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CCC)OCC ZINC001099181669 1087786478 /nfs/dbraw/zinc/78/64/78/1087786478.db2.gz BMNRYBAGMQPTQI-DLBZAZTESA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001122042695 1087786968 /nfs/dbraw/zinc/78/69/68/1087786968.db2.gz MIONTKQBFIIUAR-YESZJQIVSA-N 0 3 310.482 3.138 20 30 DGEDHN C[C@@H](N)c1ccn(-c2nc3cc(F)ccc3c(Cl)c2C#N)n1 ZINC001158355781 1087788745 /nfs/dbraw/zinc/78/87/45/1087788745.db2.gz KLIWPADSQSSUOZ-MRVPVSSYSA-N 0 3 315.739 3.104 20 30 DGEDHN C=CC[C@@H](C(=O)NCCNCc1ccsc1)c1ccccc1 ZINC001151838226 1087792898 /nfs/dbraw/zinc/79/28/98/1087792898.db2.gz MIDGHPOHIQLUCK-QGZVFWFLSA-N 0 3 314.454 3.314 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001099183747 1087809063 /nfs/dbraw/zinc/80/90/63/1087809063.db2.gz WMLKZCFVTCUTLH-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN N#Cc1oc2ccccc2c1[N-]C(=O)c1ccn2c[nH+]cc2c1 ZINC001151896580 1087814620 /nfs/dbraw/zinc/81/46/20/1087814620.db2.gz HVQPNBDLIYZNOB-UHFFFAOYSA-N 0 3 302.293 3.204 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cccc(C)c1 ZINC001158418951 1087822123 /nfs/dbraw/zinc/82/21/23/1087822123.db2.gz DOMPZXHKRSZUKV-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C[C@](C#N)(Nc1ccc2c(n1)CCNC2)c1ccccc1Cl ZINC001158476960 1087857933 /nfs/dbraw/zinc/85/79/33/1087857933.db2.gz ORRIPSVUKUIZNZ-QGZVFWFLSA-N 0 3 312.804 3.232 20 30 DGEDHN Cc1cnc(N(C2CCCC2)C2CCN(C)CC2)c(/C=N/O)c1 ZINC001158487913 1087861172 /nfs/dbraw/zinc/86/11/72/1087861172.db2.gz SHMFEXPHPYKPHB-DEDYPNTBSA-N 0 3 316.449 3.041 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)cc(F)c1 ZINC001158512446 1087886594 /nfs/dbraw/zinc/88/65/94/1087886594.db2.gz LSVIMFFVNKPBKB-QGZVFWFLSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001158522189 1087891235 /nfs/dbraw/zinc/89/12/35/1087891235.db2.gz PHTIJTHXQTVELN-QGZVFWFLSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001158565483 1087916554 /nfs/dbraw/zinc/91/65/54/1087916554.db2.gz OZOPEYBEYYPCTJ-GSEOLPGOSA-N 0 3 324.468 3.071 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccoc1CCC ZINC001158739414 1087999735 /nfs/dbraw/zinc/99/97/35/1087999735.db2.gz JTIGDQBDQKPBMM-OAHLLOKOSA-N 0 3 304.434 3.345 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CC(F)(F)F ZINC001158751529 1088006794 /nfs/dbraw/zinc/00/67/94/1088006794.db2.gz WLGNFNIHUWRDAL-UONOGXRCSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2nccc(C)c2c1 ZINC001158864126 1088077250 /nfs/dbraw/zinc/07/72/50/1088077250.db2.gz OXZABQLEBQSVGV-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3ccccc3F)CC2)C1=O ZINC001272594775 1088098210 /nfs/dbraw/zinc/09/82/10/1088098210.db2.gz HSTJSUSRVOOTHT-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ccccc1F)CC2 ZINC001272595483 1088103586 /nfs/dbraw/zinc/10/35/86/1088103586.db2.gz RSOMDAAAWZNQSR-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1csc(C)c1 ZINC001153024753 1088145202 /nfs/dbraw/zinc/14/52/02/1088145202.db2.gz BRGCLWXILZAXAY-CQSZACIVSA-N 0 3 306.475 3.187 20 30 DGEDHN CCN(Cc1ccc(F)cc1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207283 1088187349 /nfs/dbraw/zinc/18/73/49/1088187349.db2.gz FHJHSDQAWHZJIS-MRXNPFEDSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001099235843 1088225017 /nfs/dbraw/zinc/22/50/17/1088225017.db2.gz UKGYOBKVPVIOFO-KBPBESRZSA-N 0 3 316.436 3.461 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1CCCC2 ZINC001153560273 1088280148 /nfs/dbraw/zinc/28/01/48/1088280148.db2.gz CCVBDALNMHEFDD-MRXNPFEDSA-N 0 3 312.457 3.029 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)Cc1cccc(OC)c1 ZINC001153625623 1088308888 /nfs/dbraw/zinc/30/88/88/1088308888.db2.gz ARCKJZMBUWECAF-MRXNPFEDSA-N 0 3 318.461 3.378 20 30 DGEDHN C#CCN1CC[C@]2(CCCN(Cc3ccc(C)cc3C)CC2)C1=O ZINC001272637538 1088356750 /nfs/dbraw/zinc/35/67/50/1088356750.db2.gz ALNGHIURIWHMQC-OAQYLSRUSA-N 0 3 324.468 3.141 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CCCC(C)(C)C)CC1 ZINC001159600498 1088411181 /nfs/dbraw/zinc/41/11/81/1088411181.db2.gz BGURFYPYWIKVLG-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001272656302 1088480748 /nfs/dbraw/zinc/48/07/48/1088480748.db2.gz BGJKSEUHQGTNAM-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccoc2Cl)CC(C)(C)C1 ZINC001089372837 1088545825 /nfs/dbraw/zinc/54/58/25/1088545825.db2.gz RGFFCYZTMVMVLX-CYBMUJFWSA-N 0 3 322.836 3.177 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC(C)(C)C1 ZINC001089390024 1088562480 /nfs/dbraw/zinc/56/24/80/1088562480.db2.gz YGMGUVNUDJFXIW-YESZJQIVSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)cc(Cl)c1 ZINC001154327533 1088566952 /nfs/dbraw/zinc/56/69/52/1088566952.db2.gz LKBJXTFHJQVJSW-CQSZACIVSA-N 0 3 306.837 3.112 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC1(C)CC1 ZINC001154368647 1088583545 /nfs/dbraw/zinc/58/35/45/1088583545.db2.gz YQBXHLXZEZCCGQ-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN N#Cc1ccccc1CNCCCNC(=O)CC1CCCCC1 ZINC001154406065 1088598676 /nfs/dbraw/zinc/59/86/76/1088598676.db2.gz DHXHXORPMREXQB-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CC2(C)CCCC2)CC1 ZINC001160020729 1088604233 /nfs/dbraw/zinc/60/42/33/1088604233.db2.gz DRYAUCRRTOYZFI-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2coc3ccccc23)C1=O ZINC001272667301 1088613229 /nfs/dbraw/zinc/61/32/29/1088613229.db2.gz OOXJQGXYHGNPPK-LJQANCHMSA-N 0 3 310.397 3.186 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC(C)(C)C1 ZINC001089445784 1088615650 /nfs/dbraw/zinc/61/56/50/1088615650.db2.gz MIHXDWKLUJRESB-XMTFNYHQSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(OC)c1 ZINC001154605829 1088672233 /nfs/dbraw/zinc/67/22/33/1088672233.db2.gz SYKGGXSZCMEWRB-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1(C)CCC1 ZINC001154631394 1088682837 /nfs/dbraw/zinc/68/28/37/1088682837.db2.gz MCHABVUEADNWOX-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)CC(C)(C)C1 ZINC001089508485 1088705194 /nfs/dbraw/zinc/70/51/94/1088705194.db2.gz XKZRUUYLSFKYPP-KRWDZBQOSA-N 0 3 323.440 3.022 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2sccc2Cl)CC1 ZINC001160222107 1088707981 /nfs/dbraw/zinc/70/79/81/1088707981.db2.gz WRMVHYBFFHXKQU-UHFFFAOYSA-N 0 3 310.850 3.340 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2sccc2CC)CC(C)(C)C1 ZINC001089565456 1088751745 /nfs/dbraw/zinc/75/17/45/1088751745.db2.gz SNUHGHFMPLMKKS-HNNXBMFYSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](CC2CCCCC2)C(C)C)CC1 ZINC001483773496 1088770894 /nfs/dbraw/zinc/77/08/94/1088770894.db2.gz KJLBZCZAMQPMHF-QGZVFWFLSA-N 0 3 304.478 3.101 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001089600253 1088794461 /nfs/dbraw/zinc/79/44/61/1088794461.db2.gz CSQGSOVCYCYKOC-QGZVFWFLSA-N 0 3 316.420 3.069 20 30 DGEDHN C#CCC1(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)CCCCC1 ZINC001154888181 1088809510 /nfs/dbraw/zinc/80/95/10/1088809510.db2.gz CLBGMWHURIPARU-KRWDZBQOSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001272675304 1088818134 /nfs/dbraw/zinc/81/81/34/1088818134.db2.gz JDVZOEQJDDRUPA-OALUTQOASA-N 0 3 312.457 3.357 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001160485688 1088831736 /nfs/dbraw/zinc/83/17/36/1088831736.db2.gz KJFWWRXFXKDVSO-UYAOXDASSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001089621216 1088834914 /nfs/dbraw/zinc/83/49/14/1088834914.db2.gz PWFIWKWNEBUDNJ-AWEZNQCLSA-N 0 3 321.490 3.248 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C)nc1C ZINC001154957778 1088853975 /nfs/dbraw/zinc/85/39/75/1088853975.db2.gz PFJNKDNJRYLSIX-MRXNPFEDSA-N 0 3 317.477 3.381 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001160552635 1088868378 /nfs/dbraw/zinc/86/83/78/1088868378.db2.gz WRSXBMDWMYCEFG-RTBURBONSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001483832322 1088936787 /nfs/dbraw/zinc/93/67/87/1088936787.db2.gz BOEXYAZSLAHYSY-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001155160594 1088980870 /nfs/dbraw/zinc/98/08/70/1088980870.db2.gz JREYBDMWBMMJJD-HZPDHXFCSA-N 0 3 318.436 3.169 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001089657253 1089020627 /nfs/dbraw/zinc/02/06/27/1089020627.db2.gz BPYGXHHKHPUZDV-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001483945030 1089027699 /nfs/dbraw/zinc/02/76/99/1089027699.db2.gz MJYOGHPGAWQDGL-VAMGGRTRSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ncc2cc(Cl)ccc2n1 ZINC001160953475 1089038788 /nfs/dbraw/zinc/03/87/88/1089038788.db2.gz BRYWOCNATWRWOB-AWEZNQCLSA-N 0 3 302.809 3.346 20 30 DGEDHN C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)C1(N)CC1 ZINC001160949653 1089039213 /nfs/dbraw/zinc/03/92/13/1089039213.db2.gz UZOOWGZYDTVGRJ-OAHLLOKOSA-N 0 3 319.408 3.139 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cnc2cccc(Cl)c2n1 ZINC001160952956 1089039529 /nfs/dbraw/zinc/03/95/29/1089039529.db2.gz KNCZIUCLNYKXMR-LBPRGKRZSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2cccc(OC)c2)nn1 ZINC001160957345 1089042124 /nfs/dbraw/zinc/04/21/24/1089042124.db2.gz JNJDTSNVUASTSI-INIZCTEOSA-N 0 3 324.428 3.215 20 30 DGEDHN C#CCCCC(=O)NC1(C)CCN(Cc2csc(C)c2)CC1 ZINC001483965947 1089057754 /nfs/dbraw/zinc/05/77/54/1089057754.db2.gz ZUWBXBKMROQSEL-UHFFFAOYSA-N 0 3 318.486 3.331 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2c(C)cccc2Cl)CC1 ZINC001483968917 1089059321 /nfs/dbraw/zinc/05/93/21/1089059321.db2.gz JETMIGLCBFIWGY-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC001483975198 1089062566 /nfs/dbraw/zinc/06/25/66/1089062566.db2.gz HPNALUHKAIQJTG-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN(C(=O)[C@H]1C[C@H]1C(C)C)C1CCN(CC=C(C)C)CC1 ZINC001483988500 1089072033 /nfs/dbraw/zinc/07/20/33/1089072033.db2.gz CWMRTXUNCQWWBC-OALUTQOASA-N 0 3 316.489 3.171 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccoc2C2CC2)CC1 ZINC001161013944 1089074450 /nfs/dbraw/zinc/07/44/50/1089074450.db2.gz LZXOJNJIWKNGJR-UHFFFAOYSA-N 0 3 300.402 3.095 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccccn1)C1CCCC1 ZINC001483999969 1089079864 /nfs/dbraw/zinc/07/98/64/1089079864.db2.gz AJXNGCOTSSJVOH-SFHVURJKSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3ccccc3n2C)CC1 ZINC001161056535 1089093616 /nfs/dbraw/zinc/09/36/16/1089093616.db2.gz JSDKYSMRZOSTTE-UHFFFAOYSA-N 0 3 323.440 3.116 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001155514308 1089141849 /nfs/dbraw/zinc/14/18/49/1089141849.db2.gz HQDBRTIJCUHROK-CQSZACIVSA-N 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OQOFNBOYPGQLMS-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001089702146 1089242521 /nfs/dbraw/zinc/24/25/21/1089242521.db2.gz UVLSVCWPDZXNFE-ARFHVFGLSA-N 0 3 316.445 3.176 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC001161485511 1089261506 /nfs/dbraw/zinc/26/15/06/1089261506.db2.gz KWXWUMAQLGAMHV-HNNXBMFYSA-N 0 3 316.445 3.324 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@](C)(CC)CCC)CC1 ZINC001161560170 1089286483 /nfs/dbraw/zinc/28/64/83/1089286483.db2.gz VJDWADPGCKQOSL-LJQANCHMSA-N 0 3 304.478 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714263 1089287238 /nfs/dbraw/zinc/28/72/38/1089287238.db2.gz IGFDKFRGFJWZBP-QGZVFWFLSA-N 0 3 315.461 3.187 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001155957687 1089314012 /nfs/dbraw/zinc/31/40/12/1089314012.db2.gz FYCBMSJWRAJHQI-OAHLLOKOSA-N 0 3 300.446 3.058 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc3ccncc32)CC1 ZINC001161622038 1089316882 /nfs/dbraw/zinc/31/68/82/1089316882.db2.gz IWPIBXFRHATBFV-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001089736115 1089317307 /nfs/dbraw/zinc/31/73/07/1089317307.db2.gz UPYMHCBDELADEL-MRXNPFEDSA-N 0 3 317.477 3.475 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CCCC1 ZINC001089748697 1089325930 /nfs/dbraw/zinc/32/59/30/1089325930.db2.gz AHRZAWWYMCSBJX-NXOAAHMSSA-N 0 3 322.880 3.098 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001484320983 1089327908 /nfs/dbraw/zinc/32/79/08/1089327908.db2.gz YXNKFPUHEXYTKK-XPGCVZSKSA-N 0 3 310.869 3.310 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccccc1O)c1ccccc1CC ZINC001484323666 1089334419 /nfs/dbraw/zinc/33/44/19/1089334419.db2.gz ICAOBYLYWCSKAA-SFHVURJKSA-N 0 3 324.424 3.201 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)/C=C(\C)CC)c1ccccc1CC ZINC001484324787 1089336624 /nfs/dbraw/zinc/33/66/24/1089336624.db2.gz MVPMDEJRBCEBKD-IDCODDLRSA-N 0 3 312.457 3.376 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C(C)(C)CC=C)C2)CC1 ZINC001484324693 1089337037 /nfs/dbraw/zinc/33/70/37/1089337037.db2.gz QQWWDDFNLWFRIU-SFHVURJKSA-N 0 3 316.489 3.173 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001484325585 1089337163 /nfs/dbraw/zinc/33/71/63/1089337163.db2.gz WMACJADAIOFTBJ-IBWPDUFMSA-N 0 3 316.489 3.173 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1CC ZINC001484326294 1089343222 /nfs/dbraw/zinc/34/32/22/1089343222.db2.gz WBXZYMXYILEBCI-ROUUACIJSA-N 0 3 312.457 3.065 20 30 DGEDHN Cc1cc(CN)nn1-c1nc2ccc(C)cc2c(Cl)c1C#N ZINC001156044321 1089362875 /nfs/dbraw/zinc/36/28/75/1089362875.db2.gz MXZBUWKHJOMIIM-UHFFFAOYSA-N 0 3 311.776 3.021 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2oc(CC)cc2C)CC1 ZINC001161723481 1089371744 /nfs/dbraw/zinc/37/17/44/1089371744.db2.gz QJHOZDPFRMRWKE-UHFFFAOYSA-N 0 3 302.418 3.088 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001161733654 1089376964 /nfs/dbraw/zinc/37/69/64/1089376964.db2.gz HMMZRYLEZUONMD-SFHVURJKSA-N 0 3 324.468 3.260 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2CCC(F)(F)F ZINC001484460551 1089433481 /nfs/dbraw/zinc/43/34/81/1089433481.db2.gz CLLPENCNIFVPPL-ZIAGYGMSSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC=C)CCCC1 ZINC001484467547 1089436784 /nfs/dbraw/zinc/43/67/84/1089436784.db2.gz LARXXELZUPUKSL-DLBZAZTESA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2nc(C)c(C)s2)C1 ZINC001484512392 1089452902 /nfs/dbraw/zinc/45/29/02/1089452902.db2.gz GIIPALQYCLAORW-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC001161904468 1089461232 /nfs/dbraw/zinc/46/12/32/1089461232.db2.gz XYKSOSKKFIXIRN-HNNXBMFYSA-N 0 3 316.420 3.254 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001484525025 1089463470 /nfs/dbraw/zinc/46/34/70/1089463470.db2.gz CKQKRFZWIFSQNH-HUUCEWRRSA-N 0 3 310.869 3.147 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C)nc(C)c1 ZINC001484554270 1089487790 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ZINC001162129527 1089562022 /nfs/dbraw/zinc/56/20/22/1089562022.db2.gz GAJKCHNCWHVVOB-DOMZBBRYSA-N 0 3 324.852 3.184 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C)c(C)c2Cl)CCC1 ZINC001484660643 1089579793 /nfs/dbraw/zinc/57/97/93/1089579793.db2.gz LMRKHTUTIPCTMZ-UHFFFAOYSA-N 0 3 318.848 3.222 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001484703900 1089590692 /nfs/dbraw/zinc/59/06/92/1089590692.db2.gz KJKMUXNUJZJIHE-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC)OC1CCCCC1 ZINC001156672191 1089634947 /nfs/dbraw/zinc/63/49/47/1089634947.db2.gz JCJPSBUEMCJRAB-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2c(s1)CCCC2 ZINC001156746453 1089675760 /nfs/dbraw/zinc/67/57/60/1089675760.db2.gz PUURHDIIBDQDFN-CQSZACIVSA-N 0 3 318.486 3.090 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1(C)CCC1 ZINC001484825094 1089706953 /nfs/dbraw/zinc/70/69/53/1089706953.db2.gz SSGHOGYLLPORQY-GOSISDBHSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1(C)CCC1 ZINC001484825097 1089707163 /nfs/dbraw/zinc/70/71/63/1089707163.db2.gz SSGHOGYLLPORQY-SFHVURJKSA-N 0 3 312.457 3.296 20 30 DGEDHN C[Si](C)(C)C#Cc1cccnc1-n1nc(CN)c2ccccc21 ZINC001156860261 1089719740 /nfs/dbraw/zinc/71/97/40/1089719740.db2.gz DGVSLWHJYWMEHD-UHFFFAOYSA-N 0 3 320.472 3.108 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001484887623 1089723316 /nfs/dbraw/zinc/72/33/16/1089723316.db2.gz CYWUPJVFCWUMNG-SUMWQHHRSA-N 0 3 322.399 3.258 20 30 DGEDHN N#Cc1nc(-n2nc(CN)c3ccccc32)c(Cl)cc1Cl ZINC001156864447 1089723435 /nfs/dbraw/zinc/72/34/35/1089723435.db2.gz JSABSTSBYINKDH-UHFFFAOYSA-N 0 3 318.167 3.058 20 30 DGEDHN C[C@H]1CN(C(=O)CCCC2CC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001484896020 1089732830 /nfs/dbraw/zinc/73/28/30/1089732830.db2.gz WOQSKOHVRGTXCQ-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC001272692260 1089745272 /nfs/dbraw/zinc/74/52/72/1089745272.db2.gz RYQKJWMAYUMOHW-BMGDILEWSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccccc2)C(C)(C)C1 ZINC001484938110 1089766130 /nfs/dbraw/zinc/76/61/30/1089766130.db2.gz VGWSWBHBPQIOSR-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H]1CCCC1(F)F ZINC001484997565 1089816572 /nfs/dbraw/zinc/81/65/72/1089816572.db2.gz HPBAUJNNBXNUKY-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@H](C)NCc1cc(F)ccc1Cl ZINC001484991682 1089832788 /nfs/dbraw/zinc/83/27/88/1089832788.db2.gz GGGUYZWUEKEWFW-ZDUSSCGKSA-N 0 3 324.827 3.123 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1oc2c(cccc2C)c1C ZINC001157158595 1089848839 /nfs/dbraw/zinc/84/88/39/1089848839.db2.gz FJMYJTUUNSLQQI-CQSZACIVSA-N 0 3 312.413 3.123 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1CC=CCC1 ZINC001162696507 1089888189 /nfs/dbraw/zinc/88/81/89/1089888189.db2.gz OBGRSVAIDKLZEY-HXUWFJFHSA-N 0 3 324.468 3.027 20 30 DGEDHN C=CCCC(=O)N(CCNC[C@H](F)CC)CCc1ccccc1 ZINC001162732262 1089912600 /nfs/dbraw/zinc/91/26/00/1089912600.db2.gz AQFPNTGEXBFCAL-GOSISDBHSA-N 0 3 320.452 3.362 20 30 DGEDHN Cc1nc(-n2c3ccccc3nc2[C@H](C)N)c(C#N)c(C)c1C ZINC001162762162 1089933130 /nfs/dbraw/zinc/93/31/30/1089933130.db2.gz BVAAUCMKZZGAEI-LBPRGKRZSA-N 0 3 305.385 3.237 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc2c(C#N)c[nH]c2c1 ZINC001162777216 1089949233 /nfs/dbraw/zinc/94/92/33/1089949233.db2.gz NXILYAJZCYVARC-NSHDSACASA-N 0 3 301.353 3.398 20 30 DGEDHN CCN1CCCC[C@@H]1c1ccc(N2C[C@@H](F)C[C@H]2C#N)nc1 ZINC001157481022 1089990518 /nfs/dbraw/zinc/99/05/18/1089990518.db2.gz INOGKHYJWRSMQE-HRCADAONSA-N 0 3 302.397 3.069 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162879863 1090001661 /nfs/dbraw/zinc/00/16/61/1090001661.db2.gz KCDUUEILZOUHIX-UHFFFAOYSA-N 0 3 320.452 3.219 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@]1(C)C=CCC1 ZINC001162892965 1090011265 /nfs/dbraw/zinc/01/12/65/1090011265.db2.gz YZHZKHOKCIFXGP-OAQYLSRUSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162918627 1090024413 /nfs/dbraw/zinc/02/44/13/1090024413.db2.gz FDZMHOCQIOUGIL-IBGZPJMESA-N 0 3 320.452 3.219 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C1CCC=CCC1 ZINC001162997380 1090050419 /nfs/dbraw/zinc/05/04/19/1090050419.db2.gz UJRXTAFHZUJYJA-UHFFFAOYSA-N 0 3 324.468 3.027 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)Cc1ccccc1 ZINC001157705998 1090082089 /nfs/dbraw/zinc/08/20/89/1090082089.db2.gz QRJLBKKIPASSTM-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001157710408 1090084459 /nfs/dbraw/zinc/08/44/59/1090084459.db2.gz HZCIIKNEJZKJKC-QXPKXGMISA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CCCOC)C2 ZINC001272699165 1090098842 /nfs/dbraw/zinc/09/88/42/1090098842.db2.gz BSOLTGNOPZKHRU-IBGZPJMESA-N 0 3 322.493 3.226 20 30 DGEDHN CCc1cccc(CN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)c1 ZINC001485304729 1090103186 /nfs/dbraw/zinc/10/31/86/1090103186.db2.gz UHUZAPJJXXYSJW-INIZCTEOSA-N 0 3 314.473 3.235 20 30 DGEDHN N#Cc1cc(N2CCN[C@H](c3ccccc3)C2)nc2ccccc12 ZINC001157764590 1090103555 /nfs/dbraw/zinc/10/35/55/1090103555.db2.gz ALTMTSXPZURSFX-IBGZPJMESA-N 0 3 314.392 3.257 20 30 DGEDHN C=CCOCCCC(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157783723 1090109631 /nfs/dbraw/zinc/10/96/31/1090109631.db2.gz GELYFNGWVOUQRJ-GOSISDBHSA-N 0 3 322.493 3.248 20 30 DGEDHN N#Cc1cc(N[C@@H]2CNCc3ccsc32)nc(C(F)(F)F)c1 ZINC001163220625 1090120847 /nfs/dbraw/zinc/12/08/47/1090120847.db2.gz FRFVIMYHXHJXOB-SNVBAGLBSA-N 0 3 324.331 3.290 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001158050702 1090178457 /nfs/dbraw/zinc/17/84/57/1090178457.db2.gz SGZXJDKNQDRMFO-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)c(F)cc1F ZINC001158118268 1090187289 /nfs/dbraw/zinc/18/72/89/1090187289.db2.gz XKRIVBHPGKWOBN-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001485498925 1090192234 /nfs/dbraw/zinc/19/22/34/1090192234.db2.gz OREHPCGQZKLELN-MRXNPFEDSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(C(C)C)n1 ZINC001158190596 1090197977 /nfs/dbraw/zinc/19/79/77/1090197977.db2.gz IMIUXPFMTIVAJY-MRXNPFEDSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001485522711 1090200299 /nfs/dbraw/zinc/20/02/99/1090200299.db2.gz KRFIVKTTZBTPCE-AWEZNQCLSA-N 0 3 318.436 3.116 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001485522712 1090201139 /nfs/dbraw/zinc/20/11/39/1090201139.db2.gz KRFIVKTTZBTPCE-CQSZACIVSA-N 0 3 318.436 3.116 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)C(C)C)CC1 ZINC001163757057 1090251504 /nfs/dbraw/zinc/25/15/04/1090251504.db2.gz MEVYOOVFVUHTNT-CYBMUJFWSA-N 0 3 300.874 3.297 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001485588452 1090223272 /nfs/dbraw/zinc/22/32/72/1090223272.db2.gz YSCINDCRBAHVQM-WMZOPIPTSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C#CC(C)(C)C)C[C@H]2C1 ZINC001485655090 1090229089 /nfs/dbraw/zinc/22/90/89/1090229089.db2.gz UALOOEIZDZSRDF-HRCADAONSA-N 0 3 322.880 3.005 20 30 DGEDHN CN(C)/C=N/c1ccc(NCCc2cccc(O)c2)cc1C#N ZINC001163703235 1090237780 /nfs/dbraw/zinc/23/77/80/1090237780.db2.gz QSOVNDWZRHLHJP-FYJGNVAPSA-N 0 3 308.385 3.140 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](F)c2ccccc2)cc1 ZINC001272700771 1090257364 /nfs/dbraw/zinc/25/73/64/1090257364.db2.gz NGJHEXUHGRKUGN-HNAYVOBHSA-N 0 3 324.399 3.297 20 30 DGEDHN CC(C)CC(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001485752080 1090266581 /nfs/dbraw/zinc/26/65/81/1090266581.db2.gz OACKDCWBDQTSFI-UHFFFAOYSA-N 0 3 312.457 3.007 20 30 DGEDHN C=C(Cl)CNCCC[C@H](NC(=O)[C@H](C)C#N)c1ccccc1 ZINC001485778957 1090276692 /nfs/dbraw/zinc/27/66/92/1090276692.db2.gz RBPZMNAJFKQZHI-CJNGLKHVSA-N 0 3 319.836 3.126 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001163964258 1090301658 /nfs/dbraw/zinc/30/16/58/1090301658.db2.gz USGMZOONUMRRAS-GFCCVEGCSA-N 0 3 310.388 3.334 20 30 DGEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1[nH]cc(C)c1C ZINC001272706372 1090305933 /nfs/dbraw/zinc/30/59/33/1090305933.db2.gz TYBZTHHZTSUEHB-LJQANCHMSA-N 0 3 315.461 3.165 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2ccccc2C)cc1 ZINC001272707402 1090310267 /nfs/dbraw/zinc/31/02/67/1090310267.db2.gz AWJGBGVKDVVVFU-QGZVFWFLSA-N 0 3 320.436 3.138 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C=C(CC)CC ZINC001272722685 1090332362 /nfs/dbraw/zinc/33/23/62/1090332362.db2.gz XIDSZISHGOUSPG-GFCCVEGCSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001164221968 1090376684 /nfs/dbraw/zinc/37/66/84/1090376684.db2.gz HEBGDQAJKXZINT-QWHCGFSZSA-N 0 3 310.388 3.019 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164223052 1090377389 /nfs/dbraw/zinc/37/73/89/1090377389.db2.gz PNOXGUMDDNVUHX-ZIAGYGMSSA-N 0 3 321.465 3.161 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001164222829 1090377530 /nfs/dbraw/zinc/37/75/30/1090377530.db2.gz NHFAHEWMUXYZKC-OLZOCXBDSA-N 0 3 310.388 3.019 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1CCC ZINC001299258126 1090377736 /nfs/dbraw/zinc/37/77/36/1090377736.db2.gz CNRZZWHHGMARJB-MSOLQXFVSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C1(N(C)C)CCCC1 ZINC001299259980 1090378291 /nfs/dbraw/zinc/37/82/91/1090378291.db2.gz PTIOHOSBOIWVKL-KRWDZBQOSA-N 0 3 300.446 3.164 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccoc2Cl)CC1 ZINC001164308720 1090397981 /nfs/dbraw/zinc/39/79/81/1090397981.db2.gz IBQBKNBROUMIKN-UHFFFAOYSA-N 0 3 317.216 3.175 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001165245749 1090487943 /nfs/dbraw/zinc/48/79/43/1090487943.db2.gz FLINSWUARDICJH-DLBZAZTESA-N 0 3 320.864 3.201 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C/c1ccc(C)cc1)C2 ZINC001111530216 1090489293 /nfs/dbraw/zinc/48/92/93/1090489293.db2.gz UZARBPGAZAHTPT-BNLAEDIXSA-N 0 3 322.452 3.143 20 30 DGEDHN CCCC(CCC)C(=O)NCCCNCc1ccccc1C#N ZINC001165301989 1090499592 /nfs/dbraw/zinc/49/95/92/1090499592.db2.gz SGSDHYARIBYAON-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107930457 1090540923 /nfs/dbraw/zinc/54/09/23/1090540923.db2.gz IZDWDJVNFHPRBT-KXBFYZLASA-N 0 3 320.477 3.049 20 30 DGEDHN CC1(C(=O)NCCCNCc2ccccc2C#N)CCCCC1 ZINC001165760524 1090545715 /nfs/dbraw/zinc/54/57/15/1090545715.db2.gz GJCWRQGPGPBFGS-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccn(C)c2C)CCCCC1 ZINC001115718419 1090553028 /nfs/dbraw/zinc/55/30/28/1090553028.db2.gz IZCQQVUDAAKGRX-UHFFFAOYSA-N 0 3 323.868 3.108 20 30 DGEDHN C=C1CCC(C(=O)NCCCNCc2cccc(Cl)n2)CC1 ZINC001165901279 1090558717 /nfs/dbraw/zinc/55/87/17/1090558717.db2.gz QUISAXDQVXBPKV-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C=C1CCC(C(=O)NCCCNCc2cccc(F)c2F)CC1 ZINC001165906647 1090559659 /nfs/dbraw/zinc/55/96/59/1090559659.db2.gz FFIOVBNQBDLFTF-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN C=CCCC1(C(=O)NCCCNCc2cccc(F)c2F)CC1 ZINC001165913990 1090560792 /nfs/dbraw/zinc/56/07/92/1090560792.db2.gz SEEHGJPMIPWAET-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN C=CCN(CCC(=O)OCc1ccccc1)CCc1ccco1 ZINC001168578677 1090576373 /nfs/dbraw/zinc/57/63/73/1090576373.db2.gz DKLSOBRMIRMETL-UHFFFAOYSA-N 0 3 313.397 3.444 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC001272792176 1090583306 /nfs/dbraw/zinc/58/33/06/1090583306.db2.gz JMIKFLIYYNBBFE-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001107970572 1090592924 /nfs/dbraw/zinc/59/29/24/1090592924.db2.gz CQMSGNKQWJJYGC-IBGZPJMESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@]1(C)CN(C[C@H](C)CC(C)C)CCO1 ZINC001107976406 1090606627 /nfs/dbraw/zinc/60/66/27/1090606627.db2.gz LNUFKWGSURGHGU-MJGOQNOKSA-N 0 3 324.509 3.232 20 30 DGEDHN COc1ccc([C@@H]2C[C@H](NCc3cc(C#N)co3)CCO2)cc1 ZINC001168624438 1090633682 /nfs/dbraw/zinc/63/36/82/1090633682.db2.gz OHDVUTPVTUKRQW-QAPCUYQASA-N 0 3 312.369 3.170 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2c(o1)CCCC2 ZINC001272823410 1090643839 /nfs/dbraw/zinc/64/38/39/1090643839.db2.gz MHLRRKPVNDZUDI-LBPRGKRZSA-N 0 3 310.825 3.009 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001166746274 1090650168 /nfs/dbraw/zinc/65/01/68/1090650168.db2.gz FBSHVMOAJSAEDG-INIZCTEOSA-N 0 3 315.461 3.060 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001166754932 1090651103 /nfs/dbraw/zinc/65/11/03/1090651103.db2.gz BFQSIRDEVUVIER-INIZCTEOSA-N 0 3 315.461 3.060 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(F)c(C)c2)CC1 ZINC001166935550 1090678573 /nfs/dbraw/zinc/67/85/73/1090678573.db2.gz XWWOTHYSIRTQLK-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001167044275 1090701888 /nfs/dbraw/zinc/70/18/88/1090701888.db2.gz KBCKHCIWPKVINJ-GJZGRUSLSA-N 0 3 312.885 3.441 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485868391 1090713391 /nfs/dbraw/zinc/71/33/91/1090713391.db2.gz KXIAIHOWTJIQJE-HZPDHXFCSA-N 0 3 318.436 3.050 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccccc1OC)C2 ZINC001203432662 1090734723 /nfs/dbraw/zinc/73/47/23/1090734723.db2.gz YVIFBKFYCDESOF-PKOBYXMFSA-N 0 3 317.429 3.021 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203558695 1090755927 /nfs/dbraw/zinc/75/59/27/1090755927.db2.gz VZAVXDFTFYOLPL-SFHVURJKSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203558695 1090755929 /nfs/dbraw/zinc/75/59/29/1090755929.db2.gz VZAVXDFTFYOLPL-SFHVURJKSA-N 0 3 308.381 3.307 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2c3ccccc3oc2CC)C1 ZINC001486133614 1090758970 /nfs/dbraw/zinc/75/89/70/1090758970.db2.gz FEUCBZYJMUAFDF-CABCVRRESA-N 0 3 324.424 3.211 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(CC2=CCCCC2)[C@@H]1C ZINC001486173852 1090773675 /nfs/dbraw/zinc/77/36/75/1090773675.db2.gz NSLHLCCFUSOKRZ-SJLPKXTDSA-N 0 3 302.462 3.115 20 30 DGEDHN Cc1ccc(C)c(CN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001203749426 1090796197 /nfs/dbraw/zinc/79/61/97/1090796197.db2.gz FICZAHHIRHFRRT-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CCC[C@@]1(O)C(F)(F)F ZINC001203757055 1090797717 /nfs/dbraw/zinc/79/77/17/1090797717.db2.gz HRWFSQQPQBQNMW-DOMZBBRYSA-N 0 3 312.335 3.084 20 30 DGEDHN N=C(N[C@H]1Cc2cccc(Cl)c2C1)c1ccc(Cl)cn1 ZINC001168688677 1090801972 /nfs/dbraw/zinc/80/19/72/1090801972.db2.gz DMCQMOYZEDYWJE-NSHDSACASA-N 0 3 306.196 3.261 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cccc(F)c1)C2 ZINC001203785259 1090803711 /nfs/dbraw/zinc/80/37/11/1090803711.db2.gz LRVRZYDGNGQRPV-RBUKOAKNSA-N 0 3 319.420 3.399 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001276423812 1090816601 /nfs/dbraw/zinc/81/66/01/1090816601.db2.gz WWBCOFCLYUWVQA-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CCC[C@@]1(O)C(F)(F)F ZINC001203900103 1090833248 /nfs/dbraw/zinc/83/32/48/1090833248.db2.gz RZVICQLTDFHXOX-DOMZBBRYSA-N 0 3 312.335 3.084 20 30 DGEDHN CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001203904736 1090834330 /nfs/dbraw/zinc/83/43/30/1090834330.db2.gz CRSNSQMTYXHMDF-INIZCTEOSA-N 0 3 300.402 3.112 20 30 DGEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203912308 1090836734 /nfs/dbraw/zinc/83/67/34/1090836734.db2.gz RFPMOWZVZXTFDO-UHFFFAOYSA-N 0 3 318.392 3.046 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C=C(CC)CC)CC[C@@H]1C(F)(F)F ZINC001486451311 1090839847 /nfs/dbraw/zinc/83/98/47/1090839847.db2.gz MEJHJXHOXQMKCO-KBPBESRZSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)c2ccc(CC)cc2)CC1 ZINC001486516392 1090861657 /nfs/dbraw/zinc/86/16/57/1090861657.db2.gz BUPFYICEJSTBAX-MRXNPFEDSA-N 0 3 312.457 3.287 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2ccc(C)c(Cl)c2)CC1 ZINC001486508648 1090863213 /nfs/dbraw/zinc/86/32/13/1090863213.db2.gz CSVXPMWDSSPTHY-UHFFFAOYSA-N 0 3 318.848 3.125 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001276439381 1090894328 /nfs/dbraw/zinc/89/43/28/1090894328.db2.gz CEBPIACQHDMKIB-HOTGVXAUSA-N 0 3 300.446 3.111 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccc(C)c(F)c1 ZINC001128190331 1090894474 /nfs/dbraw/zinc/89/44/74/1090894474.db2.gz PMRWCKMCWIODBX-UHFFFAOYSA-N 0 3 312.816 3.119 20 30 DGEDHN C=C(C)CCC(=O)NCCNCc1ccccc1C(F)(F)F ZINC001128408998 1090957430 /nfs/dbraw/zinc/95/74/30/1090957430.db2.gz OUODIUFXIAMUQY-UHFFFAOYSA-N 0 3 314.351 3.268 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3cccc(C#N)c3F)c2)CC1 ZINC001204537725 1090994889 /nfs/dbraw/zinc/99/48/89/1090994889.db2.gz NWSGNLFQICYGQJ-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C#Cc1cc(Nc2cccc(CN3CCN(C)CC3)c2)ccc1F ZINC001204564049 1091000619 /nfs/dbraw/zinc/00/06/19/1091000619.db2.gz HOFFHJHREHOOMH-UHFFFAOYSA-N 0 3 323.415 3.298 20 30 DGEDHN C=CCCC(=O)N1CCC(CNCc2ccncc2Cl)CC1 ZINC001204748335 1091027844 /nfs/dbraw/zinc/02/78/44/1091027844.db2.gz LFEPAGZXYIACBS-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108104987 1091069335 /nfs/dbraw/zinc/06/93/35/1091069335.db2.gz QJMRRJFLQMODAH-QFBILLFUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(C[C@@H](C)CC(C)C)CCO1 ZINC001108118736 1091098927 /nfs/dbraw/zinc/09/89/27/1091098927.db2.gz AHFFKNMAVKZAKQ-LPHOPBHVSA-N 0 3 324.509 3.088 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)c(F)cc(F)c3F)CCC2S1 ZINC001138230894 1091121538 /nfs/dbraw/zinc/12/15/38/1091121538.db2.gz KCKFKKGWQMEHAD-LLVKDONJSA-N 0 3 317.307 3.017 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108136065 1091129325 /nfs/dbraw/zinc/12/93/25/1091129325.db2.gz OOSIGGFVIPDLDX-BUDCBXOLSA-N 0 3 320.477 3.071 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2CCc1cccc(F)c1 ZINC001273136646 1091148158 /nfs/dbraw/zinc/14/81/58/1091148158.db2.gz XPIHHDDSYQYGIK-LJQANCHMSA-N 0 3 316.420 3.011 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1cccc(F)c1C#N ZINC001205261780 1091154885 /nfs/dbraw/zinc/15/48/85/1091154885.db2.gz MWYOSBRTQMFEQZ-FOIQADDNSA-N 0 3 323.415 3.307 20 30 DGEDHN N#Cc1cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)ccc1F ZINC001205513235 1091238572 /nfs/dbraw/zinc/23/85/72/1091238572.db2.gz CMLCUIRSYLMVCM-ROUUACIJSA-N 0 3 319.399 3.096 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC001138628827 1091260909 /nfs/dbraw/zinc/26/09/09/1091260909.db2.gz GNKMJNKCOSHYSO-MRXNPFEDSA-N 0 3 317.429 3.284 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC001138628827 1091260918 /nfs/dbraw/zinc/26/09/18/1091260918.db2.gz GNKMJNKCOSHYSO-MRXNPFEDSA-N 0 3 317.429 3.284 20 30 DGEDHN C=CCc1cccc(CN2CCc3cc4c(cc3C2)OCO4)c1O ZINC001138624358 1091262064 /nfs/dbraw/zinc/26/20/64/1091262064.db2.gz FMSKNHCQDPDZIQ-UHFFFAOYSA-N 0 3 323.392 3.408 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1[O-] ZINC001138631099 1091262664 /nfs/dbraw/zinc/26/26/64/1091262664.db2.gz KSZUKQROWFXXGA-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1[O-] ZINC001138631099 1091262673 /nfs/dbraw/zinc/26/26/73/1091262673.db2.gz KSZUKQROWFXXGA-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1[O-] ZINC001138630756 1091264188 /nfs/dbraw/zinc/26/41/88/1091264188.db2.gz COXCWLJQIGJMHR-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1[O-] ZINC001138630756 1091264196 /nfs/dbraw/zinc/26/41/96/1091264196.db2.gz COXCWLJQIGJMHR-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@H](C(=O)OC)CC[C@H]1C ZINC001138661872 1091278367 /nfs/dbraw/zinc/27/83/67/1091278367.db2.gz HUICNLXHDIBMQG-NVXWUHKLSA-N 0 3 317.429 3.415 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001273162045 1091280016 /nfs/dbraw/zinc/28/00/16/1091280016.db2.gz QXVCQVSMCJZYQJ-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN CNc1ncccc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001138693918 1091291794 /nfs/dbraw/zinc/29/17/94/1091291794.db2.gz SLEXHQXSHCBRBD-UHFFFAOYSA-N 0 3 320.440 3.450 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)C ZINC001098895997 1091434924 /nfs/dbraw/zinc/43/49/24/1091434924.db2.gz ZZQFVGIXWANLJU-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN CCn1ccc2ccc(CN3CCC4SC(=O)C=C4C3)cc21 ZINC001139121173 1091454801 /nfs/dbraw/zinc/45/48/01/1091454801.db2.gz FCLCAEFDRWGPEE-KRWDZBQOSA-N 0 3 312.438 3.435 20 30 DGEDHN CCn1ccc2ccc(CN3CC[C@@H]4SC(=O)C=C4C3)cc21 ZINC001139121173 1091454805 /nfs/dbraw/zinc/45/48/05/1091454805.db2.gz FCLCAEFDRWGPEE-KRWDZBQOSA-N 0 3 312.438 3.435 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333944 1091477800 /nfs/dbraw/zinc/47/78/00/1091477800.db2.gz ICYDYJBYAVLWEG-YVWKXTFCSA-N 0 3 322.452 3.002 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333943 1091477915 /nfs/dbraw/zinc/47/79/15/1091477915.db2.gz ICYDYJBYAVLWEG-ILZDJORESA-N 0 3 322.452 3.002 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC001084389936 1091487453 /nfs/dbraw/zinc/48/74/53/1091487453.db2.gz YNZMCFYATPJXCP-WOJBJXKFSA-N 0 3 322.452 3.124 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3cnccc3c2)no1 ZINC001206094270 1091489322 /nfs/dbraw/zinc/48/93/22/1091489322.db2.gz DGLDORQUMSGTRT-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)c(F)c2F)no1 ZINC001206094329 1091489364 /nfs/dbraw/zinc/48/93/64/1091489364.db2.gz HQQPOLWCMAZSKX-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)c(C)cc2F)no1 ZINC001206099759 1091492628 /nfs/dbraw/zinc/49/26/28/1091492628.db2.gz CNDOWTYZFRFSPN-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)c(C)c2F)no1 ZINC001206100451 1091492780 /nfs/dbraw/zinc/49/27/80/1091492780.db2.gz PMOFHHBLZCZSHU-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c(C)[nH]c4ccccc43)[C@@H]2C1 ZINC001084501215 1091495688 /nfs/dbraw/zinc/49/56/88/1091495688.db2.gz XNQLMZZMRRTKDL-CRAIPNDOSA-N 0 3 323.440 3.199 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001084577155 1091507152 /nfs/dbraw/zinc/50/71/52/1091507152.db2.gz BUADDJUNZQIFML-QZTJIDSGSA-N 0 3 312.457 3.240 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3F)[C@@H]2C1 ZINC001084623383 1091520100 /nfs/dbraw/zinc/52/01/00/1091520100.db2.gz DCYKLIYPQNDBNO-IUODEOHRSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccsc3Cl)[C@@H]2C1 ZINC001084703640 1091544765 /nfs/dbraw/zinc/54/47/65/1091544765.db2.gz IIXDAQSAVFIXIF-DGCLKSJQSA-N 0 3 310.850 3.124 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C(C)C)oc3C)[C@@H]2C1 ZINC001084751598 1091554152 /nfs/dbraw/zinc/55/41/52/1091554152.db2.gz SEKVWQGILXZSKV-NVXWUHKLSA-N 0 3 316.445 3.434 20 30 DGEDHN C[C@@H](OCCN1CCCC1)C(F)(F)C(F)(F)C(F)(F)F ZINC001206302654 1091568688 /nfs/dbraw/zinc/56/86/88/1091568688.db2.gz PCFWINZJIGUAGJ-MRVPVSSYSA-N 0 3 311.241 3.320 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC001084813058 1091579847 /nfs/dbraw/zinc/57/98/47/1091579847.db2.gz LEKSPPIOCUBIEO-WOJBJXKFSA-N 0 3 324.468 3.288 20 30 DGEDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001139530397 1091588895 /nfs/dbraw/zinc/58/88/95/1091588895.db2.gz CZGNRWGEKGDNKW-UKRRQHHQSA-N 0 3 318.392 3.109 20 30 DGEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001139613362 1091620856 /nfs/dbraw/zinc/62/08/56/1091620856.db2.gz QMJKEMKSZVFEAI-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN Cc1cc(C)c(NC(=O)N2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001202954454 1091626233 /nfs/dbraw/zinc/62/62/33/1091626233.db2.gz UZYXPZJLDIIENA-AWEZNQCLSA-N 0 3 316.426 3.418 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4ccccc43)C[C@@H]21 ZINC001084971898 1091627050 /nfs/dbraw/zinc/62/70/50/1091627050.db2.gz GBYOYTCVXALLIR-RLLQIKCJSA-N 0 3 324.468 3.215 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC=CCCC3)C[C@@H]21 ZINC001084969442 1091627661 /nfs/dbraw/zinc/62/76/61/1091627661.db2.gz JCQJPWHCKLXEBU-KURKYZTESA-N 0 3 302.462 3.232 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H]3CCN(C[C@H](F)CC)[C@H]3C2)CC1 ZINC001085023448 1091642692 /nfs/dbraw/zinc/64/26/92/1091642692.db2.gz CFCXYMCJAREDBD-NXHRZFHOSA-N 0 3 322.468 3.404 20 30 DGEDHN COC(=O)c1cccc2[nH]cc(CN3CCC[C@@H](C#N)CC3)c21 ZINC001139721117 1091652519 /nfs/dbraw/zinc/65/25/19/1091652519.db2.gz ACEVGGGBGVSFCR-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN Cc1ccc(CN2CCCN(c3ccc(F)cn3)CC2)cc1C#N ZINC001139722937 1091654557 /nfs/dbraw/zinc/65/45/57/1091654557.db2.gz LFRHMUBZXJKXAE-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2cc(C)sc2C)C[C@H]1C ZINC001206509340 1091654534 /nfs/dbraw/zinc/65/45/34/1091654534.db2.gz KGLYROHYILKQSR-MLGOLLRUSA-N 0 3 306.475 3.268 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc(C)c(C#N)c1)CC2 ZINC001139724985 1091655269 /nfs/dbraw/zinc/65/52/69/1091655269.db2.gz YMDQDXBQGFVQET-UHFFFAOYSA-N 0 3 323.440 3.010 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(F)c1 ZINC001085122093 1091680483 /nfs/dbraw/zinc/68/04/83/1091680483.db2.gz MBFKTGRNDAFNSJ-HUUCEWRRSA-N 0 3 310.800 3.209 20 30 DGEDHN C[C@@H](COc1c(F)cccc1F)NCC#Cc1ccccc1 ZINC001206620527 1091691438 /nfs/dbraw/zinc/69/14/38/1091691438.db2.gz JOXGCAKNEFFOQZ-AWEZNQCLSA-N 0 3 301.336 3.373 20 30 DGEDHN N#Cc1cc(F)cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001139879750 1091699991 /nfs/dbraw/zinc/69/99/91/1091699991.db2.gz QVKBVQTZEUQEBH-ROUUACIJSA-N 0 3 319.399 3.096 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2ccccc21 ZINC001085316458 1091744789 /nfs/dbraw/zinc/74/47/89/1091744789.db2.gz IZEKPSKKTVVGDO-GVDBMIGSSA-N 0 3 318.848 3.096 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001085356859 1091753674 /nfs/dbraw/zinc/75/36/74/1091753674.db2.gz RYBIERATTYTZSK-RRFJBIMHSA-N 0 3 324.852 3.461 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(F)CCCCC1 ZINC001085383120 1091761138 /nfs/dbraw/zinc/76/11/38/1091761138.db2.gz MPPKZIGXHARTKY-ZIAGYGMSSA-N 0 3 316.848 3.428 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1[nH]c2ccccc2c1C ZINC001273327276 1091769220 /nfs/dbraw/zinc/76/92/20/1091769220.db2.gz SQQDJBBOQJDAII-RTBURBONSA-N 0 3 323.440 3.228 20 30 DGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C#CC(C)(C)C ZINC001296779489 1091794367 /nfs/dbraw/zinc/79/43/67/1091794367.db2.gz SHYZMCWOVAGQOL-GOSISDBHSA-N 0 3 314.473 3.309 20 30 DGEDHN CC(C)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc1 ZINC001206948417 1091803904 /nfs/dbraw/zinc/80/39/04/1091803904.db2.gz JSRNUPGUKQCSNW-OXQOHEQNSA-N 0 3 324.468 3.160 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cnc(C)s1)C2 ZINC001207060995 1091834652 /nfs/dbraw/zinc/83/46/52/1091834652.db2.gz YXUQCMZAQWMVOC-SJORKVTESA-N 0 3 322.474 3.025 20 30 DGEDHN COc1cccc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)c1 ZINC001207111085 1091847692 /nfs/dbraw/zinc/84/76/92/1091847692.db2.gz ZCUFRBQNIPOXSJ-QGZVFWFLSA-N 0 3 309.413 3.285 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(OCCC)c1 ZINC001085630618 1091863061 /nfs/dbraw/zinc/86/30/61/1091863061.db2.gz ZMGALUJTCHZUOI-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2c(o1)CCCC2 ZINC001085636988 1091864641 /nfs/dbraw/zinc/86/46/41/1091864641.db2.gz FKAFNPXHFZCMTM-MRXNPFEDSA-N 0 3 316.445 3.271 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001085642554 1091866974 /nfs/dbraw/zinc/86/69/74/1091866974.db2.gz PHMHXYNSUMKXON-YXOSVLIBSA-N 0 3 316.489 3.168 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1CC(C)C ZINC001297372760 1091871112 /nfs/dbraw/zinc/87/11/12/1091871112.db2.gz CUDNQENQSZUHOW-UHFFFAOYSA-N 0 3 302.462 3.465 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)ccc1NC1CC1 ZINC001297372999 1091871435 /nfs/dbraw/zinc/87/14/35/1091871435.db2.gz KEJFXWODSTXPQC-UHFFFAOYSA-N 0 3 315.461 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(F)cc1F ZINC001085665685 1091875213 /nfs/dbraw/zinc/87/52/13/1091875213.db2.gz NYDNLPZFADFGKR-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CCN1CC(C)C ZINC001085678395 1091879125 /nfs/dbraw/zinc/87/91/25/1091879125.db2.gz IQLKSAJPLWSSPD-INIZCTEOSA-N 0 3 316.445 3.054 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001085672974 1091880328 /nfs/dbraw/zinc/88/03/28/1091880328.db2.gz MJTQWXMKKSCCFN-HKUYNNGSSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1F ZINC001085709022 1091890277 /nfs/dbraw/zinc/89/02/77/1091890277.db2.gz XIUKHHHLUVESKG-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN CC(C)(C)OC(=O)NC12CC(CCN3CC[C@](C)(C#N)C3)(C1)C2 ZINC001207231082 1091893893 /nfs/dbraw/zinc/89/38/93/1091893893.db2.gz DXOXUDARVWLGFJ-WWDZGPRUSA-N 0 3 319.449 3.059 20 30 DGEDHN CCCN(CCC#N)CCC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207229469 1091894722 /nfs/dbraw/zinc/89/47/22/1091894722.db2.gz PCYCZLLPWDNUTJ-UHFFFAOYSA-N 0 3 321.465 3.450 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(F)cc(C)cc1F ZINC001085714651 1091895115 /nfs/dbraw/zinc/89/51/15/1091895115.db2.gz PQKSYNSPSMKRNI-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2cc(C)ccc2n1 ZINC001085714853 1091895775 /nfs/dbraw/zinc/89/57/75/1091895775.db2.gz VLQYEUHTFUOOCO-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN(Cc3ccc(C#N)nc3)C2)c1 ZINC001140546228 1091903776 /nfs/dbraw/zinc/90/37/76/1091903776.db2.gz AEYYVKCDSGKMCW-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)cc1 ZINC001085757638 1091914414 /nfs/dbraw/zinc/91/44/14/1091914414.db2.gz NDQDMJNKVZAKFK-FQEVSTJZSA-N 0 3 324.468 3.395 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2ccsc2c1 ZINC001085761525 1091915935 /nfs/dbraw/zinc/91/59/35/1091915935.db2.gz MGJSQVOOPLUDPR-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)ccc1C)C2 ZINC001140591973 1091925260 /nfs/dbraw/zinc/92/52/60/1091925260.db2.gz QZYIYQAOTYJFKN-RTBURBONSA-N 0 3 319.420 3.460 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CN1CCC[C@H](CC#N)C1 ZINC001207374294 1091944871 /nfs/dbraw/zinc/94/48/71/1091944871.db2.gz MBNPALRTAZGVRB-CABCVRRESA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001085814817 1091950673 /nfs/dbraw/zinc/95/06/73/1091950673.db2.gz HFYMQGZRRZJJNS-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCCN(C)Cc1ccc(N2CCOCC2)cc1F ZINC001140665001 1091951909 /nfs/dbraw/zinc/95/19/09/1091951909.db2.gz ZPWBUWXZBGGRKB-UHFFFAOYSA-N 0 3 306.425 3.450 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085844350 1091971658 /nfs/dbraw/zinc/97/16/58/1091971658.db2.gz LBQXHTRYUPPUGE-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001085839199 1091974157 /nfs/dbraw/zinc/97/41/57/1091974157.db2.gz DLJHPQNLMSPWLE-BRWVUGGUSA-N 0 3 304.478 3.312 20 30 DGEDHN Cc1nn(C)c(C)c1CN1CCC(C#Cc2ccccc2)CC1 ZINC001203064694 1091990784 /nfs/dbraw/zinc/99/07/84/1091990784.db2.gz LLUGEKNICINQNS-UHFFFAOYSA-N 0 3 307.441 3.301 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)c(C)c1 ZINC001085874735 1091994381 /nfs/dbraw/zinc/99/43/81/1091994381.db2.gz IOCAMSLZKXTMBA-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001085916998 1092008702 /nfs/dbraw/zinc/00/87/02/1092008702.db2.gz NYCMCVFWPCYPRA-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001085930992 1092019189 /nfs/dbraw/zinc/01/91/89/1092019189.db2.gz MCFCPCZDXXAQFG-CEXWTWQISA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001085932327 1092022553 /nfs/dbraw/zinc/02/25/53/1092022553.db2.gz VWBFGZBZJQMYTA-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085946607 1092034911 /nfs/dbraw/zinc/03/49/11/1092034911.db2.gz NJMMZQGEXBEJBF-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085946606 1092036043 /nfs/dbraw/zinc/03/60/43/1092036043.db2.gz NJMMZQGEXBEJBF-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(OCC)cc1 ZINC001085953810 1092046229 /nfs/dbraw/zinc/04/62/29/1092046229.db2.gz LAROSVXEORCZBN-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983315 1092071421 /nfs/dbraw/zinc/07/14/21/1092071421.db2.gz DBHITLQVWNJKQF-HFCFLWKCSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ccc(C)cc21 ZINC001085990577 1092077569 /nfs/dbraw/zinc/07/75/69/1092077569.db2.gz SVFZVFJIHPMYBJ-OAHLLOKOSA-N 0 3 311.429 3.199 20 30 DGEDHN Cc1ccncc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001141036612 1092114282 /nfs/dbraw/zinc/11/42/82/1092114282.db2.gz ABDFIUPTAHANFC-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(CC2(c3ccccc3)CC2)C1 ZINC001207840512 1092114955 /nfs/dbraw/zinc/11/49/55/1092114955.db2.gz KAOJAUNXQGPUAZ-QGZVFWFLSA-N 0 3 314.429 3.095 20 30 DGEDHN Cc1ccncc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001141036257 1092115003 /nfs/dbraw/zinc/11/50/03/1092115003.db2.gz PMTRMMJECLVRBK-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(C)CCC(F)(F)CC1 ZINC001161209388 1092135870 /nfs/dbraw/zinc/13/58/70/1092135870.db2.gz KJAKLBHRWGDPDW-UHFFFAOYSA-N 0 3 308.800 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001086143026 1092141289 /nfs/dbraw/zinc/14/12/89/1092141289.db2.gz VZORDJIROWCDIS-FZKCQIBNSA-N 0 3 324.896 3.462 20 30 DGEDHN CCCN(Cc1sc(N)c(C#N)c1Cl)C1CCOCC1 ZINC001141112593 1092141814 /nfs/dbraw/zinc/14/18/14/1092141814.db2.gz FZYGSXRPAMGTQH-UHFFFAOYSA-N 0 3 313.854 3.246 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001207995385 1092170614 /nfs/dbraw/zinc/17/06/14/1092170614.db2.gz HECULFJFDJYYLG-MRXNPFEDSA-N 0 3 318.848 3.080 20 30 DGEDHN CC/C(C)=C/C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001208002343 1092173218 /nfs/dbraw/zinc/17/32/18/1092173218.db2.gz RZYKSNYKZRWUQK-KADHNRKRSA-N 0 3 317.458 3.057 20 30 DGEDHN CC/C(C)=C\C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001208002346 1092173490 /nfs/dbraw/zinc/17/34/90/1092173490.db2.gz RZYKSNYKZRWUQK-XXYUJHKVSA-N 0 3 317.458 3.057 20 30 DGEDHN CC(C)CCCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001491588395 1092184459 /nfs/dbraw/zinc/18/44/59/1092184459.db2.gz YTUZODBSYVFUPE-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2ccccc2CC)C1 ZINC001141229622 1092187142 /nfs/dbraw/zinc/18/71/42/1092187142.db2.gz IZVAZYZUWLOJJJ-QGZVFWFLSA-N 0 3 302.418 3.126 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001086274346 1092188162 /nfs/dbraw/zinc/18/81/62/1092188162.db2.gz COTVRGJPCIMKEM-OTVXOJSOSA-N 0 3 324.827 3.293 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001086282162 1092190893 /nfs/dbraw/zinc/19/08/93/1092190893.db2.gz XBFZYFNLEGFBTL-BETUJISGSA-N 0 3 310.825 3.254 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1sccc1OC)C2 ZINC001141324621 1092207177 /nfs/dbraw/zinc/20/71/77/1092207177.db2.gz NAWRZRRBQLTIOI-RHSMWYFYSA-N 0 3 323.458 3.083 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001086375301 1092227969 /nfs/dbraw/zinc/22/79/69/1092227969.db2.gz JBLVFUHITSLFFB-BZUAXINKSA-N 0 3 310.869 3.360 20 30 DGEDHN CCCCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001491784318 1092231241 /nfs/dbraw/zinc/23/12/41/1092231241.db2.gz KQVHKVHRFZJGQT-MRXNPFEDSA-N 0 3 318.461 3.414 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(CC[C@@H](C)c2ccc(C)o2)C1 ZINC001208165745 1092234573 /nfs/dbraw/zinc/23/45/73/1092234573.db2.gz SZUFPNLGHKRMQY-ZBFHGGJFSA-N 0 3 320.433 3.458 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](NC(=O)C3CC3)C2)CC1 ZINC001208179412 1092243085 /nfs/dbraw/zinc/24/30/85/1092243085.db2.gz YLHFNUPLXLMVRV-SJLPKXTDSA-N 0 3 302.462 3.280 20 30 DGEDHN C=Cc1ccc(C(=O)NC[C@H]2C[C@H](NCC(=C)Cl)C2)cc1 ZINC001086486761 1092270183 /nfs/dbraw/zinc/27/01/83/1092270183.db2.gz OWJFZIGCYYYUQK-KOMQPUFPSA-N 0 3 304.821 3.180 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001491951744 1092320062 /nfs/dbraw/zinc/32/00/62/1092320062.db2.gz LLHWHPFODWBZLB-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN CSc1nc(CN(C)CCc2cccc(F)c2)ccc1C#N ZINC001141945947 1092368617 /nfs/dbraw/zinc/36/86/17/1092368617.db2.gz SLHANZQYEIVQNK-UHFFFAOYSA-N 0 3 315.417 3.489 20 30 DGEDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972301 1092371568 /nfs/dbraw/zinc/37/15/68/1092371568.db2.gz GAXNABIJSRSTJQ-NVXWUHKLSA-N 0 3 311.450 3.493 20 30 DGEDHN O[C@@H]1CCCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141972080 1092371786 /nfs/dbraw/zinc/37/17/86/1092371786.db2.gz AZEKCNOQEOYSIY-QGZVFWFLSA-N 0 3 311.450 3.495 20 30 DGEDHN CCCC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001168805293 1092373929 /nfs/dbraw/zinc/37/39/29/1092373929.db2.gz JEELSRDPVCLMBJ-OAHLLOKOSA-N 0 3 301.434 3.123 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001208509040 1092377956 /nfs/dbraw/zinc/37/79/56/1092377956.db2.gz PWAGSBNCWUIDCA-SUMDDJOVSA-N 0 3 300.446 3.225 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](CC)CC(F)(F)F ZINC001492112815 1092384967 /nfs/dbraw/zinc/38/49/67/1092384967.db2.gz KDHVLMQPECWDDN-GHMZBOCLSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccccc1Cl ZINC001492116050 1092387353 /nfs/dbraw/zinc/38/73/53/1092387353.db2.gz PQUDKPHLAIMHCY-LLVKDONJSA-N 0 3 301.217 3.191 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C=C(CC)CC)C2)CC1 ZINC001316671433 1092444613 /nfs/dbraw/zinc/44/46/13/1092444613.db2.gz SITBGHJLPHGNEX-KRWDZBQOSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CCC1CC1)CC2 ZINC001208681416 1092455071 /nfs/dbraw/zinc/45/50/71/1092455071.db2.gz VEMMQERNSPDGDN-UHFFFAOYSA-N 0 3 315.461 3.154 20 30 DGEDHN N#Cc1cccc(CCCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC001208844793 1092539113 /nfs/dbraw/zinc/53/91/13/1092539113.db2.gz LQQWPXPUMWUQNL-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN Cc1nc([C@@H]2CCCN(CCCc3cccc(C#N)c3)C2)no1 ZINC001208845952 1092542655 /nfs/dbraw/zinc/54/26/55/1092542655.db2.gz VMTMDCSSVVPULS-QGZVFWFLSA-N 0 3 310.401 3.062 20 30 DGEDHN Cc1noc(C2CCN(Cc3c[nH]c4cc(C#N)ccc34)CC2)n1 ZINC001142922834 1092587322 /nfs/dbraw/zinc/58/73/22/1092587322.db2.gz XPXAZUITVBQGRB-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@](C)(CC)CCC ZINC001169337685 1092649385 /nfs/dbraw/zinc/64/93/85/1092649385.db2.gz XNYCMXMRCOYJAW-CQSZACIVSA-N 0 3 319.287 3.207 20 30 DGEDHN CCC1(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001209099802 1092651374 /nfs/dbraw/zinc/65/13/74/1092651374.db2.gz ALWFCBRBUVAHFK-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN CC1(C)CC[C@@H]1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209122604 1092662149 /nfs/dbraw/zinc/66/21/49/1092662149.db2.gz SXNCVXFCQGZURT-RBUKOAKNSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209145481 1092670506 /nfs/dbraw/zinc/67/05/06/1092670506.db2.gz DKGPNWVJHWXFRM-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCN1Cc2cn(CC3CC3)nc2[C@H](COCC)C1 ZINC001209160962 1092676531 /nfs/dbraw/zinc/67/65/31/1092676531.db2.gz FCJJUOPJGYBMGY-KRWDZBQOSA-N 0 3 303.450 3.195 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001209193918 1092689555 /nfs/dbraw/zinc/68/95/55/1092689555.db2.gz LRWWTJVAEUVCMF-AEFFLSMTSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCCN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001209203038 1092693090 /nfs/dbraw/zinc/69/30/90/1092693090.db2.gz LASFGEYBWCSSCL-KZNAEPCWSA-N 0 3 316.445 3.296 20 30 DGEDHN C=CCCCCN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001209203037 1092693577 /nfs/dbraw/zinc/69/35/77/1092693577.db2.gz LASFGEYBWCSSCL-FGTMMUONSA-N 0 3 316.445 3.296 20 30 DGEDHN C=CCCCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001209208315 1092697014 /nfs/dbraw/zinc/69/70/14/1092697014.db2.gz QNINFUDPZXUMBY-UHFFFAOYSA-N 0 3 304.434 3.182 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001276634049 1092737985 /nfs/dbraw/zinc/73/79/85/1092737985.db2.gz OKNNZYYBSIKABB-LLVKDONJSA-N 0 3 305.249 3.002 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001209335995 1092738276 /nfs/dbraw/zinc/73/82/76/1092738276.db2.gz VBPIAGLSFNQJEW-KRWDZBQOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H](CC)CCCC)C1 ZINC001150005553 1092747608 /nfs/dbraw/zinc/74/76/08/1092747608.db2.gz JRLHYLHJHOQTHX-MSOLQXFVSA-N 0 3 324.509 3.376 20 30 DGEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)cc2)c(C)c1 ZINC001150164154 1092760559 /nfs/dbraw/zinc/76/05/59/1092760559.db2.gz QEVAVSJTNXVWFT-UHFFFAOYSA-N 0 3 321.424 3.003 20 30 DGEDHN C=CCCCCCCCN1C[C@@H]2CN(CC3CC3)C[C@H](C1)O2 ZINC001209439431 1092774281 /nfs/dbraw/zinc/77/42/81/1092774281.db2.gz PIAOYKNAUVUZEU-KDURUIRLSA-N 0 3 306.494 3.308 20 30 DGEDHN C=CCCCCCCN1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001209440099 1092775623 /nfs/dbraw/zinc/77/56/23/1092775623.db2.gz ATDOLEHGMHYXAD-QGZVFWFLSA-N 0 3 315.461 3.412 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCCCCC(C)C)C1 ZINC001150411071 1092778506 /nfs/dbraw/zinc/77/85/06/1092778506.db2.gz SSOWPARDKBKOJT-GOSISDBHSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001150411518 1092778659 /nfs/dbraw/zinc/77/86/59/1092778659.db2.gz WXWWYJQLLWOPKW-ZWKOTPCHSA-N 0 3 324.509 3.376 20 30 DGEDHN CCCC1(C(=O)N[C@H](CNCC#Cc2ccccc2)C2CC2)CC1 ZINC001276656709 1092846864 /nfs/dbraw/zinc/84/68/64/1092846864.db2.gz RQRIHSWQKURWJG-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C2=CCCCCC2)CC1 ZINC001151091147 1092863504 /nfs/dbraw/zinc/86/35/04/1092863504.db2.gz PDBBLASNXHQDNV-UHFFFAOYSA-N 0 3 320.477 3.050 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001151368214 1092890207 /nfs/dbraw/zinc/89/02/07/1092890207.db2.gz XCTYWMVAFCNMGU-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001211396853 1093480795 /nfs/dbraw/zinc/48/07/95/1093480795.db2.gz DVXOHCWAPFHTCW-ZTFGCOKTSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCc2ccccc2)C1 ZINC001211422703 1093489787 /nfs/dbraw/zinc/48/97/87/1093489787.db2.gz QNCPGJPWVVDZRP-YQVWRLOYSA-N 0 3 314.473 3.268 20 30 DGEDHN COC(=O)c1cc(Nc2ccc3nc(C)[nH]c3c2)ccc1C#N ZINC001213076270 1093510402 /nfs/dbraw/zinc/51/04/02/1093510402.db2.gz ODSLXZNPFYBVJH-UHFFFAOYSA-N 0 3 306.325 3.273 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@H](OC)C1 ZINC001213258579 1093552190 /nfs/dbraw/zinc/55/21/90/1093552190.db2.gz WQWULDBARBNOEK-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C#N)cc3N)cccc21 ZINC001213365625 1093573396 /nfs/dbraw/zinc/57/33/96/1093573396.db2.gz XLHGXSRHONLWBM-KRWDZBQOSA-N 0 3 308.385 3.269 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)[C@H](OC)C1 ZINC001213689662 1093641765 /nfs/dbraw/zinc/64/17/65/1093641765.db2.gz RAJXZLXRIWJAOJ-RCCFBDPRSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@H](OC)C1 ZINC001213723852 1093649484 /nfs/dbraw/zinc/64/94/84/1093649484.db2.gz YPBLRSBVIHJDFV-GVDBMIGSSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001214302150 1093752508 /nfs/dbraw/zinc/75/25/08/1093752508.db2.gz UEUDELAMEQWZSX-CZUORRHYSA-N 0 3 306.837 3.243 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001214305903 1093753840 /nfs/dbraw/zinc/75/38/40/1093753840.db2.gz PCHJHJOYBNOUEU-JKIFEVAISA-N 0 3 304.409 3.289 20 30 DGEDHN N#Cc1cnoc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215710578 1094037284 /nfs/dbraw/zinc/03/72/84/1094037284.db2.gz YTLVFGULOJUZFH-UHFFFAOYSA-N 0 3 300.337 3.415 20 30 DGEDHN C#Cc1nccnc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215710094 1094037763 /nfs/dbraw/zinc/03/77/63/1094037763.db2.gz MITRLIYWHMGECP-UHFFFAOYSA-N 0 3 310.376 3.327 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2nc(C)cs2)[C@H](CC)C1 ZINC001276730675 1094075174 /nfs/dbraw/zinc/07/51/74/1094075174.db2.gz LRMYZZZDAHRNSC-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2nc(C)cs2)[C@@H](CC)C1 ZINC001276730676 1094075630 /nfs/dbraw/zinc/07/56/30/1094075630.db2.gz LRMYZZZDAHRNSC-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN CN(C)Cc1cccc(-n2cc(C#N)c3ccc(N)cc32)c1F ZINC001216233230 1094155103 /nfs/dbraw/zinc/15/51/03/1094155103.db2.gz ZHSDEEYMFWJJMV-UHFFFAOYSA-N 0 3 308.360 3.285 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3cc(C#N)ccc3F)n2)cc1 ZINC001216953011 1094283744 /nfs/dbraw/zinc/28/37/44/1094283744.db2.gz LCTIZXMCKDYNEE-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3cc(F)ccc3C#N)n2)cc1 ZINC001216985750 1094290799 /nfs/dbraw/zinc/29/07/99/1094290799.db2.gz HVFFZJCCVSBKDP-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN C#CCN(C(=O)c1c(CC)oc2ccccc21)C1CCN(C)CC1 ZINC001120275802 1094400113 /nfs/dbraw/zinc/40/01/13/1094400113.db2.gz SAOZMSPCWFYCRY-UHFFFAOYSA-N 0 3 324.424 3.165 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120380858 1094418140 /nfs/dbraw/zinc/41/81/40/1094418140.db2.gz AJPCJNKHAIYEON-MSOLQXFVSA-N 0 3 322.468 3.427 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120391609 1094420784 /nfs/dbraw/zinc/42/07/84/1094420784.db2.gz DBTKJFCOWFGZIB-HOTGVXAUSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135181929 1094432089 /nfs/dbraw/zinc/43/20/89/1094432089.db2.gz WKPOURNVVNJBLN-CHWSQXEVSA-N 0 3 323.506 3.427 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135235100 1094453825 /nfs/dbraw/zinc/45/38/25/1094453825.db2.gz GWQMXOCQBBMEEJ-UONOGXRCSA-N 0 3 321.490 3.018 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001135357942 1094501655 /nfs/dbraw/zinc/50/16/55/1094501655.db2.gz KCKJKOVGCXUJBP-KBPBESRZSA-N 0 3 321.465 3.275 20 30 DGEDHN COC(=O)CCCCCCCCCCCO[C@H]1CNC[C@@H]1C#N ZINC001217833192 1094502566 /nfs/dbraw/zinc/50/25/66/1094502566.db2.gz RIXOOYWRVJFBTD-IRXDYDNUSA-N 0 3 324.465 3.189 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OCc1ccc(/C=C/c2ccccc2)cc1 ZINC001217832271 1094503147 /nfs/dbraw/zinc/50/31/47/1094503147.db2.gz NNFZTIYVAOJRCO-NHQAVIFJSA-N 0 3 304.393 3.485 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2cnc(C)o2)CC1 ZINC001135382411 1094510005 /nfs/dbraw/zinc/51/00/05/1094510005.db2.gz HLQZQVZIVBUTQL-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)NC1CC2(CC(NCc3ccccc3C#N)C2)C1 ZINC001120786849 1094523888 /nfs/dbraw/zinc/52/38/88/1094523888.db2.gz ANRYFZVVYNTKDB-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCCCC(C)(C)C)[C@H]2C1 ZINC001217976691 1094537995 /nfs/dbraw/zinc/53/79/95/1094537995.db2.gz RCWGTUWUPZRFCX-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CCC(=C)C)[C@H]2C1 ZINC001218037394 1094572961 /nfs/dbraw/zinc/57/29/61/1094572961.db2.gz LMMONTYZKINUBR-ZWKOTPCHSA-N 0 3 320.477 3.001 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC001135612473 1094599388 /nfs/dbraw/zinc/59/93/88/1094599388.db2.gz AUVSBSYPQPSOCX-HXUWFJFHSA-N 0 3 318.420 3.235 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001121302322 1094653906 /nfs/dbraw/zinc/65/39/06/1094653906.db2.gz XXVXICBNSJMGIB-FBVPLBQTSA-N 0 3 312.885 3.438 20 30 DGEDHN C#Cc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc1 ZINC001336609539 1094680090 /nfs/dbraw/zinc/68/00/90/1094680090.db2.gz XNQQPQGXYBBDPZ-UHFFFAOYSA-N 0 3 323.362 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001086780502 1094680366 /nfs/dbraw/zinc/68/03/66/1094680366.db2.gz VYXXOVKKIPAVEB-RRFJBIMHSA-N 0 3 312.885 3.440 20 30 DGEDHN CCC(CC)(CC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001135826054 1094697217 /nfs/dbraw/zinc/69/72/17/1094697217.db2.gz LGVGLWZJOZMFNE-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001086811013 1094769102 /nfs/dbraw/zinc/76/91/02/1094769102.db2.gz SBZXLJKGAFUUJD-XJKSGUPXSA-N 0 3 324.827 3.375 20 30 DGEDHN C=CC[C@H](Oc1nc2onc(C)c2c2c1CNCC2)C(C)C ZINC001218435658 1094773846 /nfs/dbraw/zinc/77/38/46/1094773846.db2.gz AVDZQHAKISLNHI-AWEZNQCLSA-N 0 3 301.390 3.156 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1C ZINC001103850879 1094774765 /nfs/dbraw/zinc/77/47/65/1094774765.db2.gz CUUGXIUQURUQPW-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1C ZINC001104066038 1094857366 /nfs/dbraw/zinc/85/73/66/1094857366.db2.gz ZDRABMLDNDYZGS-DGCLKSJQSA-N 0 3 302.821 3.077 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC001121988808 1094859825 /nfs/dbraw/zinc/85/98/25/1094859825.db2.gz MVUVRBRZIMFTRT-QGZVFWFLSA-N 0 3 320.481 3.194 20 30 DGEDHN C=C[C@@H]1C[C@]1(N)C(=O)Nc1ccc(OCCCCCC)cc1 ZINC001218853012 1094888486 /nfs/dbraw/zinc/88/84/86/1094888486.db2.gz PFHRGMFZLBEMBU-RDTXWAMCSA-N 0 3 302.418 3.488 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC001122087623 1094895280 /nfs/dbraw/zinc/89/52/80/1094895280.db2.gz OOFFUPVOLFJJHW-LBPRGKRZSA-N 0 3 317.458 3.331 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1csc(C)c1)C2 ZINC001111650336 1094940014 /nfs/dbraw/zinc/94/00/14/1094940014.db2.gz NWIFEUSFXGHUMA-WMZOPIPTSA-N 0 3 318.486 3.493 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C=C2CCCCC2)[C@@H](O)C1 ZINC001219284050 1094956953 /nfs/dbraw/zinc/95/69/53/1094956953.db2.gz JVXSMWVJCFPMCX-MSOLQXFVSA-N 0 3 322.493 3.009 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[C@@H](C)CC)C1 ZINC001111761970 1094959525 /nfs/dbraw/zinc/95/95/25/1094959525.db2.gz UUMJUBOJXOLXLK-LNLFQRSKSA-N 0 3 304.478 3.197 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2occ(C)c2C)cc1 ZINC001122505641 1094992254 /nfs/dbraw/zinc/99/22/54/1094992254.db2.gz DKJMWUQESVSNAE-HNNXBMFYSA-N 0 3 310.353 3.420 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001122517623 1094997657 /nfs/dbraw/zinc/99/76/57/1094997657.db2.gz GGRCXPLDRBPTGL-BRWVUGGUSA-N 0 3 307.397 3.255 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@](C)(CC)CCC)C[C@H]1C(F)(F)F ZINC001112184745 1095039759 /nfs/dbraw/zinc/03/97/59/1095039759.db2.gz DDDOCYHPFCFMEP-UMVBOHGHSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)C[C@H]1C(F)(F)F ZINC001112191939 1095040907 /nfs/dbraw/zinc/04/09/07/1095040907.db2.gz AVEBUUKZAULRNV-BFHYXJOUSA-N 0 3 320.399 3.224 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](CC)C(C)C)C[C@H]1C(F)(F)F ZINC001112196686 1095042616 /nfs/dbraw/zinc/04/26/16/1095042616.db2.gz YPPDHSODGSRSRL-MGPQQGTHSA-N 0 3 320.399 3.224 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001170997901 1095111048 /nfs/dbraw/zinc/11/10/48/1095111048.db2.gz LWOJDERIDUWQRN-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCCCOc1cccc(F)c1 ZINC001220683869 1095138525 /nfs/dbraw/zinc/13/85/25/1095138525.db2.gz RVWCUICAJGQKNA-KRWDZBQOSA-N 0 3 322.424 3.175 20 30 DGEDHN Cc1c2[nH]cnc2ccc1NC(=N)c1ccc2ccccc2n1 ZINC001171047550 1095187767 /nfs/dbraw/zinc/18/77/67/1095187767.db2.gz AKJLJAOCYFVDCY-UHFFFAOYSA-N 0 3 301.353 3.457 20 30 DGEDHN C[C@@H]1C[C@H]1C(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115389092 1095202992 /nfs/dbraw/zinc/20/29/92/1095202992.db2.gz IGXNABWKWYQFMH-IEBWSBKVSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CC(F)(F)F)CCCCC1 ZINC001115433190 1095217537 /nfs/dbraw/zinc/21/75/37/1095217537.db2.gz CKCFWLKNIAPNHP-UHFFFAOYSA-N 0 3 312.763 3.100 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccccc1F ZINC001123337409 1095246132 /nfs/dbraw/zinc/24/61/32/1095246132.db2.gz PVIUWYSOPRVEMB-NSHDSACASA-N 0 3 305.740 3.022 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@@H]2C(F)F)CCCCC1 ZINC001115515446 1095261219 /nfs/dbraw/zinc/26/12/19/1095261219.db2.gz OOWSBPRBYIKOTB-RYUDHWBXSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3cscn3)[C@@H]2C1 ZINC001221428181 1095265356 /nfs/dbraw/zinc/26/53/56/1095265356.db2.gz YIFKJJNRQXKSDP-GDBMZVCRSA-N 0 3 319.474 3.036 20 30 DGEDHN Cc1noc(C)c1[C@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001123477631 1095312548 /nfs/dbraw/zinc/31/25/48/1095312548.db2.gz TZXYUTXOTVNFJU-PRHODGIISA-N 0 3 319.311 3.335 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cnoc2C)CCCCC1 ZINC001115701353 1095342078 /nfs/dbraw/zinc/34/20/78/1095342078.db2.gz JYLHKBQVFZWYOA-UHFFFAOYSA-N 0 3 319.449 3.248 20 30 DGEDHN CC(C)(C)OC(=O)Nc1cc(CN2CCC(S)CC2)ccn1 ZINC001143692821 1095343686 /nfs/dbraw/zinc/34/36/86/1095343686.db2.gz DUQRGNSDDSROJB-UHFFFAOYSA-N 0 3 323.462 3.323 20 30 DGEDHN Cc1c(Cl)c(Cl)nc(Nc2ccc(CN)nc2)c1C#N ZINC001160396386 1095347602 /nfs/dbraw/zinc/34/76/02/1095347602.db2.gz HPAKSCMRONVURZ-UHFFFAOYSA-N 0 3 308.172 3.166 20 30 DGEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(CCCCCF)C[C@H]32)CC1 ZINC001221795322 1095358101 /nfs/dbraw/zinc/35/81/01/1095358101.db2.gz VDCYYVTZNLUVGM-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](CCC)c3ccccc3)[C@@H]2C1 ZINC001222000327 1095407084 /nfs/dbraw/zinc/40/70/84/1095407084.db2.gz BSXMUJOEVUQUPO-HSALFYBXSA-N 0 3 324.468 3.126 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC001116303435 1095510447 /nfs/dbraw/zinc/51/04/47/1095510447.db2.gz VXAMIXSBNTWLKB-SUMWQHHRSA-N 0 3 320.820 3.243 20 30 DGEDHN Cc1cc(C(=O)NCc2ccccc2CN(C)C)cc(C)c1C#N ZINC001144214298 1095560063 /nfs/dbraw/zinc/56/00/63/1095560063.db2.gz YZCNOFFGUBDNLF-UHFFFAOYSA-N 0 3 321.424 3.167 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccc(F)cc2)CC1 ZINC001116551473 1095598728 /nfs/dbraw/zinc/59/87/28/1095598728.db2.gz ACDFSHCHYUROEH-KRWDZBQOSA-N 0 3 319.424 3.226 20 30 DGEDHN C=CCCC(=O)NCCNCc1ccc(OC(C)C)c(Cl)c1 ZINC001124640285 1095613027 /nfs/dbraw/zinc/61/30/27/1095613027.db2.gz BITNVLXXVKTFRK-UHFFFAOYSA-N 0 3 324.852 3.299 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001091068028 1095633314 /nfs/dbraw/zinc/63/33/14/1095633314.db2.gz BUEMTIUSTQRWQB-UHFFFAOYSA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001091130519 1095681222 /nfs/dbraw/zinc/68/12/22/1095681222.db2.gz JFIANVSGYOEUJV-UHFFFAOYSA-N 0 3 310.825 3.055 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](CO)c1ccccc1Cl ZINC001171197824 1095704034 /nfs/dbraw/zinc/70/40/34/1095704034.db2.gz CZGWRXUICWBRNX-SCLBCKFNSA-N 0 3 314.816 3.466 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](Oc3cc(C)ccn3)C2)cc1 ZINC001144581246 1095717290 /nfs/dbraw/zinc/71/72/90/1095717290.db2.gz NVUYLTUCJBBIKN-IBGZPJMESA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3cccc(OC)n3)CC2)cc1 ZINC001144581013 1095718103 /nfs/dbraw/zinc/71/81/03/1095718103.db2.gz KKOZYMHXMNWFNU-UHFFFAOYSA-N 0 3 322.408 3.115 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(c2ccccc2)CC1 ZINC001171203523 1095747160 /nfs/dbraw/zinc/74/71/60/1095747160.db2.gz NPWLJFQEJBPMQS-KRWDZBQOSA-N 0 3 305.425 3.311 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2cc(C#N)ccc2C1 ZINC001171210264 1095773036 /nfs/dbraw/zinc/77/30/36/1095773036.db2.gz REGMNAJGEKNARD-OAHLLOKOSA-N 0 3 301.393 3.419 20 30 DGEDHN COCC1CN(Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137898052 1095783915 /nfs/dbraw/zinc/78/39/15/1095783915.db2.gz CSVOZNNTCJDCNJ-UHFFFAOYSA-N 0 3 321.424 3.404 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC001171221201 1095813414 /nfs/dbraw/zinc/81/34/14/1095813414.db2.gz IVIZCKDJSQFMGG-DYESRHJHSA-N 0 3 319.452 3.478 20 30 DGEDHN CCOC(=O)c1[nH]c(C)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1C ZINC001138138567 1095903884 /nfs/dbraw/zinc/90/38/84/1095903884.db2.gz CKHOVTDCPIPDPN-QKDCVEJESA-N 0 3 315.417 3.075 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc(Cl)c2)C1 ZINC001091340597 1095908251 /nfs/dbraw/zinc/90/82/51/1095908251.db2.gz RYWMENBRRXNACW-UHFFFAOYSA-N 0 3 313.228 3.191 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001091356811 1095913139 /nfs/dbraw/zinc/91/31/39/1095913139.db2.gz YNXYUKNPBZBMCD-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC001340426812 1095951507 /nfs/dbraw/zinc/95/15/07/1095951507.db2.gz BEWNBCLNTUZJJQ-GJZGRUSLSA-N 0 3 306.454 3.151 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC001340426810 1095952303 /nfs/dbraw/zinc/95/23/03/1095952303.db2.gz BEWNBCLNTUZJJQ-CABCVRRESA-N 0 3 306.454 3.151 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001276908015 1096023179 /nfs/dbraw/zinc/02/31/79/1096023179.db2.gz AOVXLSAOVKEHDR-AAEUAGOBSA-N 0 3 312.360 3.376 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](F)CC1CCCCC1 ZINC001171278733 1096062576 /nfs/dbraw/zinc/06/25/76/1096062576.db2.gz KDJJDAAYHACTKY-CQSZACIVSA-N 0 3 304.837 3.143 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)CC(F)(F)F)C[C@@H]21 ZINC001223847184 1096080057 /nfs/dbraw/zinc/08/00/57/1096080057.db2.gz ZBHSNBZGXHWICM-OLZOCXBDSA-N 0 3 318.383 3.074 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](CC)C(C)C)C[C@@H]21 ZINC001223955634 1096103096 /nfs/dbraw/zinc/10/30/96/1096103096.db2.gz QCNICLFGEICAAH-KSZLIROESA-N 0 3 304.478 3.005 20 30 DGEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)cc2ccccc21 ZINC001341290221 1096147855 /nfs/dbraw/zinc/14/78/55/1096147855.db2.gz OZXKPGURWSGHPQ-MRXNPFEDSA-N 0 3 311.385 3.198 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001224187746 1096156485 /nfs/dbraw/zinc/15/64/85/1096156485.db2.gz ZHGYAWJKVXDRJY-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001119296610 1096157409 /nfs/dbraw/zinc/15/74/09/1096157409.db2.gz XZGKOUNNAXRKFY-UWVGGRQHSA-N 0 3 315.870 3.088 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224197990 1096159690 /nfs/dbraw/zinc/15/96/90/1096159690.db2.gz JDIUQEBQOOHXHQ-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224197988 1096159717 /nfs/dbraw/zinc/15/97/17/1096159717.db2.gz JDIUQEBQOOHXHQ-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1oc2ccc(F)cc2c1C ZINC001341392783 1096168371 /nfs/dbraw/zinc/16/83/71/1096168371.db2.gz CHCUYIDYEIWSOR-CQSZACIVSA-N 0 3 304.365 3.180 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](CCC)CC(C)C)C[C@@H]21 ZINC001224263934 1096175260 /nfs/dbraw/zinc/17/52/60/1096175260.db2.gz VNLQLXHHKURBCZ-QRVBRYPASA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1cccc(F)c1F ZINC001276985742 1096248206 /nfs/dbraw/zinc/24/82/06/1096248206.db2.gz IELZUBPKFFVJBS-OAHLLOKOSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1cccc(F)c1F ZINC001276985741 1096249296 /nfs/dbraw/zinc/24/92/96/1096249296.db2.gz IELZUBPKFFVJBS-HNNXBMFYSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCN1CCC(CNC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC001224745555 1096276807 /nfs/dbraw/zinc/27/68/07/1096276807.db2.gz BLYFZGSNLHSEKN-KRWDZBQOSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001224815973 1096291457 /nfs/dbraw/zinc/29/14/57/1096291457.db2.gz QHKDDZIJDJOKEN-CTNGQTDRSA-N 0 3 324.468 3.032 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224860131 1096302306 /nfs/dbraw/zinc/30/23/06/1096302306.db2.gz FCTHQRKPZQZPOV-QXAKKESOSA-N 0 3 312.457 3.101 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225147518 1096353510 /nfs/dbraw/zinc/35/35/10/1096353510.db2.gz ULXPAVSPBVTSTL-XFJCDGKPSA-N 0 3 324.468 3.411 20 30 DGEDHN C#CCN1CCC(CNC(=O)CC(C)(C)C2CCCCC2)CC1 ZINC001225155411 1096356522 /nfs/dbraw/zinc/35/65/22/1096356522.db2.gz WNFYFAJEDMEEFA-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CC1(CC(=O)N2CC3(C2)CCN(CC#CC)C3)CCCCC1 ZINC001148436265 1096363383 /nfs/dbraw/zinc/36/33/83/1096363383.db2.gz PGWMWWPWRLWDRZ-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN CCCCCCCCCCC(=O)NCCNCc1cnn(C)c1 ZINC001148763795 1096443529 /nfs/dbraw/zinc/44/35/29/1096443529.db2.gz DPDCYBKYUMZIEH-UHFFFAOYSA-N 0 3 322.497 3.157 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001273446055 1096481225 /nfs/dbraw/zinc/48/12/25/1096481225.db2.gz PLUPAPQWHGEWBG-ROUUACIJSA-N 0 3 304.478 3.363 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2(C)CCC(C)CC2)CC1 ZINC001225611711 1096482500 /nfs/dbraw/zinc/48/25/00/1096482500.db2.gz XEMATALDNJDNBR-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001086876684 1096492102 /nfs/dbraw/zinc/49/21/02/1096492102.db2.gz DNBLIXXLYYYHEY-LSDHHAIUSA-N 0 3 323.868 3.310 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cccs3)C2)CC1 ZINC001086901095 1096500555 /nfs/dbraw/zinc/50/05/55/1096500555.db2.gz YUDHDTRAKHWZBU-HNNXBMFYSA-N 0 3 316.470 3.088 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)(C)C)C2)CC1 ZINC001086903551 1096502308 /nfs/dbraw/zinc/50/23/08/1096502308.db2.gz ISTVYBDULPUHCW-INIZCTEOSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CC2CCC(C)(C)CC2)CC1 ZINC001225711769 1096511472 /nfs/dbraw/zinc/51/14/72/1096511472.db2.gz KAPSFILIYSSKAC-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccccc3CC)C2)CC1 ZINC001086940742 1096515022 /nfs/dbraw/zinc/51/50/22/1096515022.db2.gz YTUFCSBLYPWWCD-QGZVFWFLSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)c3ccccc3)C2)CC1 ZINC001086954902 1096521702 /nfs/dbraw/zinc/52/17/02/1096521702.db2.gz XYOQPFWDMDYVQX-ZWKOTPCHSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(CC)cc3)C2)CC1 ZINC001086955780 1096523304 /nfs/dbraw/zinc/52/33/04/1096523304.db2.gz WCTDJIPKQHYJLK-QGZVFWFLSA-N 0 3 324.468 3.199 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccccc3CCC)C[C@]2(C)C1 ZINC001091840040 1096541343 /nfs/dbraw/zinc/54/13/43/1096541343.db2.gz OJVHXLDPBLVSDI-NQIIRXRSSA-N 0 3 324.468 3.056 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)C2 ZINC001110129946 1096598385 /nfs/dbraw/zinc/59/83/85/1096598385.db2.gz JUGRILKKWABCSL-NQYYFHDYSA-N 0 3 312.457 3.163 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCCCC)C2 ZINC001110133724 1096618524 /nfs/dbraw/zinc/61/85/24/1096618524.db2.gz FFGOKJBUYYGMJG-MHORFTMASA-N 0 3 304.478 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C2 ZINC001110133912 1096619499 /nfs/dbraw/zinc/61/94/99/1096619499.db2.gz IRWXRGLHNAHQTN-PMPSAXMXSA-N 0 3 304.478 3.194 20 30 DGEDHN N=C(N[C@@H]1CCc2c(F)cccc2C1)c1ccc(Cl)cn1 ZINC001171403111 1096672996 /nfs/dbraw/zinc/67/29/96/1096672996.db2.gz XBANRQDXQCULLH-GFCCVEGCSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2C(C)C)CC1 ZINC001226833730 1096790421 /nfs/dbraw/zinc/79/04/21/1096790421.db2.gz HHBAGLUKXRBWCT-QGZVFWFLSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001226901335 1096809664 /nfs/dbraw/zinc/80/96/64/1096809664.db2.gz FQCBOGXREXGSSI-SFHVURJKSA-N 0 3 317.477 3.408 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3sccc3Cl)CCC[C@@H]12 ZINC001094423476 1096821896 /nfs/dbraw/zinc/82/18/96/1096821896.db2.gz TYJLIRUYXWVRMA-CZUORRHYSA-N 0 3 322.861 3.009 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(C4CC4)cc3)CCC[C@@H]12 ZINC001094583464 1096853729 /nfs/dbraw/zinc/85/37/29/1096853729.db2.gz UBLGBYGXWUIYJC-TZIWHRDSSA-N 0 3 322.452 3.172 20 30 DGEDHN C#CCCCC(=O)NC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001227108427 1096871446 /nfs/dbraw/zinc/87/14/46/1096871446.db2.gz QFVLTOGSZVSTIC-HNNXBMFYSA-N 0 3 316.420 3.271 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2cc(C)sc2C)CC1 ZINC001227108535 1096871637 /nfs/dbraw/zinc/87/16/37/1096871637.db2.gz SHSCMEBBWITZQF-UHFFFAOYSA-N 0 3 318.486 3.249 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](CCC)CC2CCCCC2)CC1 ZINC001277188933 1096893332 /nfs/dbraw/zinc/89/33/32/1096893332.db2.gz DSHUGYZJIGTMTB-QGZVFWFLSA-N 0 3 304.478 3.245 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227285223 1096911896 /nfs/dbraw/zinc/91/18/96/1096911896.db2.gz NSVAUJUEJFOBFL-MRXNPFEDSA-N 0 3 323.352 3.120 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c3C2)o1 ZINC001171519252 1096916912 /nfs/dbraw/zinc/91/69/12/1096916912.db2.gz CWHUSRKEGTZBQR-JTQLQIEISA-N 0 3 306.287 3.216 20 30 DGEDHN N#Cc1ccc([O-])c(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001227348897 1096918976 /nfs/dbraw/zinc/91/89/76/1096918976.db2.gz DEPRDZVZEKBEDD-UHFFFAOYSA-N 0 3 322.408 3.350 20 30 DGEDHN COC(=O)C1(C#N)CCN([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171682448 1096947274 /nfs/dbraw/zinc/94/72/74/1096947274.db2.gz VRXYOXPJPDCPKO-MRXNPFEDSA-N 0 3 314.429 3.095 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001227547062 1096949388 /nfs/dbraw/zinc/94/93/88/1096949388.db2.gz RUYSGCADZCEIIM-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC001227588702 1096957092 /nfs/dbraw/zinc/95/70/92/1096957092.db2.gz SVYZMWQTONTKMS-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN CCCCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC(C)(C)C ZINC001277225833 1096961959 /nfs/dbraw/zinc/96/19/59/1096961959.db2.gz ZIEHHOWFRXWBHW-HZMVEIRTSA-N 0 3 324.509 3.085 20 30 DGEDHN CCCCCCCN1CC2(C[C@H]2C(=O)N2CCCC23CC3)C1 ZINC001277226086 1096963165 /nfs/dbraw/zinc/96/31/65/1096963165.db2.gz QCZPWLXOXMEEIG-INIZCTEOSA-N 0 3 304.478 3.434 20 30 DGEDHN N#Cc1cc(O[C@@H]2CCN(Cc3ccccc3)C2)cnc1Cl ZINC001227743661 1096980141 /nfs/dbraw/zinc/98/01/41/1096980141.db2.gz AEPMRZPGUXYMEZ-OAHLLOKOSA-N 0 3 313.788 3.260 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001171858139 1096992685 /nfs/dbraw/zinc/99/26/85/1096992685.db2.gz INHWXTLCNOIIFJ-UHFFFAOYSA-N 0 3 321.635 3.455 20 30 DGEDHN CCCCCCCCCC(=O)NCCCNCc1ccn(C)n1 ZINC001171864828 1096993837 /nfs/dbraw/zinc/99/38/37/1096993837.db2.gz HXFTYSDMBQJPGP-UHFFFAOYSA-N 0 3 322.497 3.157 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228111400 1097052396 /nfs/dbraw/zinc/05/23/96/1097052396.db2.gz AUJDYGBFUUMYGR-CGTJXYLNSA-N 0 3 315.461 3.201 20 30 DGEDHN COc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001228115033 1097054274 /nfs/dbraw/zinc/05/42/74/1097054274.db2.gz ZNLCZZAPIGYZPK-SFHVURJKSA-N 0 3 308.381 3.220 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001228130903 1097058657 /nfs/dbraw/zinc/05/86/57/1097058657.db2.gz SPLIXRVLEQSMSQ-USXIJHARSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001277285334 1097079183 /nfs/dbraw/zinc/07/91/83/1097079183.db2.gz OIUCUPWSJYNRRR-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC001172309783 1097096473 /nfs/dbraw/zinc/09/64/73/1097096473.db2.gz WXAYSKJZINUECL-INIZCTEOSA-N 0 3 323.415 3.451 20 30 DGEDHN Cc1cccnc1N1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309930 1097097451 /nfs/dbraw/zinc/09/74/51/1097097451.db2.gz XVIFKULCKOFCHC-QGZVFWFLSA-N 0 3 320.440 3.015 20 30 DGEDHN CCC1(C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CC1 ZINC001228418688 1097116845 /nfs/dbraw/zinc/11/68/45/1097116845.db2.gz MUYMEBRWDZOVDQ-RTBURBONSA-N 0 3 324.468 3.245 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001228621704 1097153870 /nfs/dbraw/zinc/15/38/70/1097153870.db2.gz DUUSARNHAHCBKA-FLIBITNWSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001228631259 1097156211 /nfs/dbraw/zinc/15/62/11/1097156211.db2.gz IZBHCUVSHJOEJP-UHFFFAOYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001228631776 1097156223 /nfs/dbraw/zinc/15/62/23/1097156223.db2.gz UHNSGGNYDCVANM-UHFFFAOYSA-N 0 3 318.436 3.427 20 30 DGEDHN C[C@@H](CCCC#N)NCc1cn(Cc2ccc(F)cc2)cn1 ZINC001172491422 1097167986 /nfs/dbraw/zinc/16/79/86/1097167986.db2.gz GSAAJRRRCPQIEJ-AWEZNQCLSA-N 0 3 300.381 3.242 20 30 DGEDHN C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccccc1CN(C)C ZINC001229698914 1097367522 /nfs/dbraw/zinc/36/75/22/1097367522.db2.gz IGQFUUOKVUPGHV-OAHLLOKOSA-N 0 3 305.418 3.413 20 30 DGEDHN N#Cc1cc(F)c(F)cc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001229840202 1097396632 /nfs/dbraw/zinc/39/66/32/1097396632.db2.gz YAZMKDCLJBSMGN-HNNXBMFYSA-N 0 3 314.335 3.490 20 30 DGEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@H](C)CSCC)CCO2 ZINC001173304645 1097404639 /nfs/dbraw/zinc/40/46/39/1097404639.db2.gz CIYGZWYFKKLECP-BRWVUGGUSA-N 0 3 313.507 3.202 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccccc1 ZINC001229897802 1097408909 /nfs/dbraw/zinc/40/89/09/1097408909.db2.gz XWCHQOMDOVZGTJ-IAGOWNOFSA-N 0 3 320.864 3.389 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CC[C@H](CC)C1 ZINC001173276688 1097409817 /nfs/dbraw/zinc/40/98/17/1097409817.db2.gz DDWKKOITLKEJLJ-ZMSDIMECSA-N 0 3 303.450 3.101 20 30 DGEDHN CC[C@H]1CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001173292267 1097416212 /nfs/dbraw/zinc/41/62/12/1097416212.db2.gz DRDJGZPXPSLYIL-GOEBONIOSA-N 0 3 301.409 3.398 20 30 DGEDHN C=CCOC1CCC(N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001173326507 1097418075 /nfs/dbraw/zinc/41/80/75/1097418075.db2.gz IRGWZFBZEDERAK-MHJFOBGBSA-N 0 3 315.457 3.444 20 30 DGEDHN N#CCC1CCC(NCc2ccn(CC(F)(F)F)n2)CC1 ZINC001173333473 1097419875 /nfs/dbraw/zinc/41/98/75/1097419875.db2.gz MPVYLINWNDFMOY-UHFFFAOYSA-N 0 3 300.328 3.007 20 30 DGEDHN N#CCC1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC001173335175 1097420501 /nfs/dbraw/zinc/42/05/01/1097420501.db2.gz FFAWGNCBUUYDJE-UHFFFAOYSA-N 0 3 301.409 3.420 20 30 DGEDHN C=CCN1CCC(NC(=O)CC(C)(C)c2ccc(C)cc2)CC1 ZINC001230198935 1097456891 /nfs/dbraw/zinc/45/68/91/1097456891.db2.gz DDJSJSVSHGQNRQ-UHFFFAOYSA-N 0 3 314.473 3.429 20 30 DGEDHN CC1(C#N)CCC(N2CC3(CCN3Cc3ccccc3)C2)CC1 ZINC001173599148 1097469308 /nfs/dbraw/zinc/46/93/08/1097469308.db2.gz GQWFOQSLNGAFDV-UHFFFAOYSA-N 0 3 309.457 3.419 20 30 DGEDHN N#CCCN(C1CCCC1)C1CCN(CC(F)(F)F)CC1 ZINC001173668918 1097487091 /nfs/dbraw/zinc/48/70/91/1097487091.db2.gz HLFNYZXDQXCBTQ-UHFFFAOYSA-N 0 3 303.372 3.171 20 30 DGEDHN COC(=O)c1ccc(C[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC001173705923 1097498769 /nfs/dbraw/zinc/49/87/69/1097498769.db2.gz LUAAYLNRZMWRTE-CQSZACIVSA-N 0 3 300.402 3.078 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCSC ZINC001230721790 1097565526 /nfs/dbraw/zinc/56/55/26/1097565526.db2.gz XFXIUJKTMMEUGV-HNNXBMFYSA-N 0 3 300.512 3.243 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230721791 1097566017 /nfs/dbraw/zinc/56/60/17/1097566017.db2.gz XFXIUJKTMMEUGV-OAHLLOKOSA-N 0 3 300.512 3.243 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C[C@@H](C)CC)Cc1cccnc1 ZINC001230745641 1097571920 /nfs/dbraw/zinc/57/19/20/1097571920.db2.gz MKKMQQZNRMBQLP-KRWDZBQOSA-N 0 3 317.477 3.402 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001230838333 1097603478 /nfs/dbraw/zinc/60/34/78/1097603478.db2.gz OHTAMPCHTHZDGO-INIZCTEOSA-N 0 3 320.481 3.089 20 30 DGEDHN C=CCCC1(C(=O)NCCCN(CC)Cc2cccnc2)CC1 ZINC001230838426 1097603644 /nfs/dbraw/zinc/60/36/44/1097603644.db2.gz PWAAIDVOIBHJNN-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001230838335 1097603800 /nfs/dbraw/zinc/60/38/00/1097603800.db2.gz OHTAMPCHTHZDGO-MRXNPFEDSA-N 0 3 320.481 3.089 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CCCC1 ZINC001230929462 1097624208 /nfs/dbraw/zinc/62/42/08/1097624208.db2.gz ZJPOQTURQTXNJX-SJORKVTESA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001231062711 1097658830 /nfs/dbraw/zinc/65/88/30/1097658830.db2.gz SCCLKGKKPXWMNV-DLBZAZTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCCC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001277496476 1097694888 /nfs/dbraw/zinc/69/48/88/1097694888.db2.gz XLXDDUIGGXGKCH-BJMVGYQFSA-N 0 3 310.869 3.410 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001174672749 1097795850 /nfs/dbraw/zinc/79/58/50/1097795850.db2.gz PZQGULSDBFTEJI-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1ncc(C)s1 ZINC001174681299 1097798770 /nfs/dbraw/zinc/79/87/70/1097798770.db2.gz BFHWCOYFAZOOPB-CYBMUJFWSA-N 0 3 323.506 3.428 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001231658568 1097804190 /nfs/dbraw/zinc/80/41/90/1097804190.db2.gz ZENPGZMJEUXIAQ-CZUORRHYSA-N 0 3 311.347 3.193 20 30 DGEDHN C#Cc1cccc(CN2CC(c3ccc(C(=O)OC)cc3)C2)c1 ZINC001231661294 1097806477 /nfs/dbraw/zinc/80/64/77/1097806477.db2.gz QYZFPRCZUPJVSD-UHFFFAOYSA-N 0 3 305.377 3.054 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@H](Oc3ncccc3C)C2)c1 ZINC001231662611 1097808387 /nfs/dbraw/zinc/80/83/87/1097808387.db2.gz FCOHYWNKLQVEDO-IBGZPJMESA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1cccc(CN2CCC(Oc3ncccc3C)CC2)c1 ZINC001231662301 1097809094 /nfs/dbraw/zinc/80/90/94/1097809094.db2.gz CEQQDFXDEHVBLH-UHFFFAOYSA-N 0 3 306.409 3.415 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001174849168 1097867681 /nfs/dbraw/zinc/86/76/81/1097867681.db2.gz KGIURFPOMAIZRH-CABCVRRESA-N 0 3 321.465 3.350 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C2 ZINC001110176486 1097903327 /nfs/dbraw/zinc/90/33/27/1097903327.db2.gz XSDSZQCDTFZWSB-MHORFTMASA-N 0 3 304.478 3.194 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)cc(F)cc3Cl)CCC2S1 ZINC001232098326 1097937791 /nfs/dbraw/zinc/93/77/91/1097937791.db2.gz SNVJINWPFRUXAT-ZDUSSCGKSA-N 0 3 315.772 3.392 20 30 DGEDHN CC(=O)Nc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1 ZINC001232190869 1097960447 /nfs/dbraw/zinc/96/04/47/1097960447.db2.gz RXUSVBGODBZCIW-UHFFFAOYSA-N 0 3 307.397 3.457 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001175468528 1098054129 /nfs/dbraw/zinc/05/41/29/1098054129.db2.gz GLALZGYOHSPXHO-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN Cc1ccnc(C#N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505383 1098075634 /nfs/dbraw/zinc/07/56/34/1098075634.db2.gz OBVXOVJFAYCBHH-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001232608524 1098092873 /nfs/dbraw/zinc/09/28/73/1098092873.db2.gz LRWIRAPWWYSHOT-DLBZAZTESA-N 0 3 321.827 3.220 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cnc(C#N)c(C)c3)cc2)CC1 ZINC001175782173 1098169213 /nfs/dbraw/zinc/16/92/13/1098169213.db2.gz OVAWYCNXXILLOM-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnc(C)o2)C[C@H]1C ZINC001277739505 1098181950 /nfs/dbraw/zinc/18/19/50/1098181950.db2.gz ICMJKLRZUFUEOV-HIFRSBDPSA-N 0 3 319.449 3.054 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCCN(Cc2ccc(C)cc2C#N)C1 ZINC001232963285 1098184135 /nfs/dbraw/zinc/18/41/35/1098184135.db2.gz DSPUAXHQJZILJD-IBGZPJMESA-N 0 3 314.429 3.422 20 30 DGEDHN CCCCCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001277759606 1098223899 /nfs/dbraw/zinc/22/38/99/1098223899.db2.gz LRVCBAJAFVYHNF-AWEZNQCLSA-N 0 3 319.424 3.214 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233109620 1098225562 /nfs/dbraw/zinc/22/55/62/1098225562.db2.gz DIJSYOGBDDTTCR-GFCCVEGCSA-N 0 3 308.219 3.308 20 30 DGEDHN CN(C)c1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1C#N ZINC001233098780 1098225686 /nfs/dbraw/zinc/22/56/86/1098225686.db2.gz NKJNURFHLNRKEK-ZIAGYGMSSA-N 0 3 301.409 3.385 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001176071436 1098241864 /nfs/dbraw/zinc/24/18/64/1098241864.db2.gz YRAYOHFODHAHAC-GJZGRUSLSA-N 0 3 318.848 3.205 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001277772292 1098244090 /nfs/dbraw/zinc/24/40/90/1098244090.db2.gz VOFNGKMBWLCBSV-ZIAGYGMSSA-N 0 3 321.490 3.383 20 30 DGEDHN N#CCC1CCN(Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001233405203 1098317251 /nfs/dbraw/zinc/31/72/51/1098317251.db2.gz NQFSHKWBMXGRDG-UHFFFAOYSA-N 0 3 316.355 3.481 20 30 DGEDHN CCC(C)(CC)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001176530469 1098377023 /nfs/dbraw/zinc/37/70/23/1098377023.db2.gz JWMKEOJDDIDHNW-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)c(C)s2)C1 ZINC001233710062 1098414482 /nfs/dbraw/zinc/41/44/82/1098414482.db2.gz NXJTVOYTCHRJKU-CQSZACIVSA-N 0 3 308.447 3.242 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C[C@](C)(O)C1CC1 ZINC001233780268 1098429864 /nfs/dbraw/zinc/42/98/64/1098429864.db2.gz JTSNTEXZXRITPD-HKUYNNGSSA-N 0 3 324.509 3.041 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233865145 1098444686 /nfs/dbraw/zinc/44/46/86/1098444686.db2.gz FVBKWETVVPUUBF-QGZVFWFLSA-N 0 3 304.434 3.481 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)CCO1 ZINC001176991615 1098461252 /nfs/dbraw/zinc/46/12/52/1098461252.db2.gz SPXGGIWOROBXHO-KRWDZBQOSA-N 0 3 302.418 3.226 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233992557 1098472310 /nfs/dbraw/zinc/47/23/10/1098472310.db2.gz XZGROIQSVXGPFC-INIZCTEOSA-N 0 3 305.466 3.440 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179578 1098510394 /nfs/dbraw/zinc/51/03/94/1098510394.db2.gz WYJPWOOSQYEUEU-SJLPKXTDSA-N 0 3 310.441 3.002 20 30 DGEDHN CN(C[C@@H]1CCN1[C@H]1CCCc2ccccc21)C(=O)C#CC1CC1 ZINC001234195955 1098512393 /nfs/dbraw/zinc/51/23/93/1098512393.db2.gz OOHSTSKICWYQPH-ICSRJNTNSA-N 0 3 322.452 3.010 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCCCCC ZINC001234276853 1098526704 /nfs/dbraw/zinc/52/67/04/1098526704.db2.gz UQAINHYRPDNKJA-IAGOWNOFSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234386436 1098545732 /nfs/dbraw/zinc/54/57/32/1098545732.db2.gz YZCRIQKQDIFYRO-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234420872 1098551802 /nfs/dbraw/zinc/55/18/02/1098551802.db2.gz XYWDUNFEVOGWSU-HNNXBMFYSA-N 0 3 317.429 3.340 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C\c1ccc(C)cc1 ZINC001177663567 1098574456 /nfs/dbraw/zinc/57/44/56/1098574456.db2.gz RATOHVAXCONFDE-HYXAFXHYSA-N 0 3 306.837 3.247 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CCN1CCCCCC)OCC ZINC001234642086 1098627163 /nfs/dbraw/zinc/62/71/63/1098627163.db2.gz GXPTURJYUKZBDV-ROUUACIJSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CC[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccncc1 ZINC001177884230 1098634876 /nfs/dbraw/zinc/63/48/76/1098634876.db2.gz BUUDADROAVKWOC-LAUBAEHRSA-N 0 3 300.427 3.226 20 30 DGEDHN C=CCCC[NH2+]CCCCCCNC(=O)c1ccccc1[O-] ZINC001177899484 1098642159 /nfs/dbraw/zinc/64/21/59/1098642159.db2.gz VWKHRODPVWANOZ-UHFFFAOYSA-N 0 3 304.434 3.238 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001280881136 1098642768 /nfs/dbraw/zinc/64/27/68/1098642768.db2.gz PCTJYONENKFKTQ-UHFFFAOYSA-N 0 3 316.426 3.035 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccccn2)no1 ZINC001177903234 1098642929 /nfs/dbraw/zinc/64/29/29/1098642929.db2.gz GHGNWSSEAKINPM-LLVKDONJSA-N 0 3 324.365 3.119 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nsc2ncccc12 ZINC001177902671 1098643571 /nfs/dbraw/zinc/64/35/71/1098643571.db2.gz AEQYWJVIMGCATF-VIFPVBQESA-N 0 3 314.395 3.074 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001235068915 1098781825 /nfs/dbraw/zinc/78/18/25/1098781825.db2.gz AMEPLOPSVKCKST-KBPBESRZSA-N 0 3 321.490 3.207 20 30 DGEDHN C=CCSCCNCc1c(C(C)C)nc2sc(C)nn12 ZINC001178454190 1098836571 /nfs/dbraw/zinc/83/65/71/1098836571.db2.gz DPUXSMQAPZZMQB-UHFFFAOYSA-N 0 3 310.492 3.231 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001178503857 1098863311 /nfs/dbraw/zinc/86/33/11/1098863311.db2.gz UGNOYYVMTNURQG-YJBOKZPZSA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235223289 1098894085 /nfs/dbraw/zinc/89/40/85/1098894085.db2.gz BBEOMAOHRDBBEE-KGLIPLIRSA-N 0 3 302.409 3.167 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2sccc2Cl)[C@@H]1C ZINC001178646219 1098896376 /nfs/dbraw/zinc/89/63/76/1098896376.db2.gz YVKLYKNRHZKVJX-JSGCOSHPSA-N 0 3 324.877 3.140 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001235339691 1098962787 /nfs/dbraw/zinc/96/27/87/1098962787.db2.gz YAMPLOGUTAYBGT-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN O=C1C=C2CN(Cc3cc(F)c(F)c(F)c3F)CCC2S1 ZINC001235345717 1098968886 /nfs/dbraw/zinc/96/88/86/1098968886.db2.gz LIYFPVYMKHGPIX-SNVBAGLBSA-N 0 3 317.307 3.017 20 30 DGEDHN N#CCc1ccccc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC001235511444 1099070012 /nfs/dbraw/zinc/07/00/12/1099070012.db2.gz HELSDTICDBFTIF-OAHLLOKOSA-N 0 3 312.335 3.032 20 30 DGEDHN COC(=O)CCN(Cc1ccccc1)Cc1ccccc1CC#N ZINC001235522330 1099070432 /nfs/dbraw/zinc/07/04/32/1099070432.db2.gz CRDZWIDENVLNRO-UHFFFAOYSA-N 0 3 322.408 3.318 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1CC#N ZINC001235522367 1099071275 /nfs/dbraw/zinc/07/12/75/1099071275.db2.gz DWCOGFCCFAZBTI-GOSISDBHSA-N 0 3 319.452 3.459 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179339854 1099076921 /nfs/dbraw/zinc/07/69/21/1099076921.db2.gz NEVFJGAAODMVCU-MRXNPFEDSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCCCC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179425690 1099101846 /nfs/dbraw/zinc/10/18/46/1099101846.db2.gz FFDBRMIQLCTSIK-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179481748 1099112981 /nfs/dbraw/zinc/11/29/81/1099112981.db2.gz KILACPUEMYLGQP-SFHVURJKSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001235725912 1099149382 /nfs/dbraw/zinc/14/93/82/1099149382.db2.gz VCGLPHZNCGKZDM-SWLSCSKDSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCN(C)Cc1cc(I)ccc1C ZINC001235784090 1099179045 /nfs/dbraw/zinc/17/90/45/1099179045.db2.gz JDOKGBDBXQGLKV-UHFFFAOYSA-N 0 3 301.171 3.217 20 30 DGEDHN N#Cc1ccc(Cl)c(CN2CCN[C@@H](c3ccccc3)C2)c1 ZINC001235852885 1099213232 /nfs/dbraw/zinc/21/32/32/1099213232.db2.gz IAMJVLKZZSXXFQ-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1ccc2cc(CN3CCN[C@@H](c4ccccc4)C3)[nH]c2c1 ZINC001235863595 1099224684 /nfs/dbraw/zinc/22/46/84/1099224684.db2.gz GHJNVOSCSBCEIS-HXUWFJFHSA-N 0 3 316.408 3.186 20 30 DGEDHN C[C@H](CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C)C1CC1 ZINC001180230557 1099348509 /nfs/dbraw/zinc/34/85/09/1099348509.db2.gz FWDGJHBVKPOLLN-UWVAXJGDSA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(CC)c(CCC)s2)C1 ZINC001187729535 1099589414 /nfs/dbraw/zinc/58/94/14/1099589414.db2.gz XXVBZXVCYCMCHJ-OAHLLOKOSA-N 0 3 318.486 3.090 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1OC ZINC001187944790 1099641237 /nfs/dbraw/zinc/64/12/37/1099641237.db2.gz DQJTUGVOUMFVBV-ZDUSSCGKSA-N 0 3 323.824 3.121 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001187993573 1099651554 /nfs/dbraw/zinc/65/15/54/1099651554.db2.gz BXIXRTVRNYBKEP-FABOKFROSA-N 0 3 318.848 3.289 20 30 DGEDHN CSc1cccc(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001188028373 1099671599 /nfs/dbraw/zinc/67/15/99/1099671599.db2.gz ODJSOUFPJCXGEV-ZDUSSCGKSA-N 0 3 320.439 3.215 20 30 DGEDHN CSc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001188089937 1099683531 /nfs/dbraw/zinc/68/35/31/1099683531.db2.gz PKGVLWMOBUZDRU-CYBMUJFWSA-N 0 3 320.439 3.215 20 30 DGEDHN C[C@@H](CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001278006025 1099772091 /nfs/dbraw/zinc/77/20/91/1099772091.db2.gz OWGNKQUTQQHNAD-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001188511867 1099780902 /nfs/dbraw/zinc/78/09/02/1099780902.db2.gz KCQWCOGYWCWIRT-LJQANCHMSA-N 0 3 308.425 3.081 20 30 DGEDHN C=C[C@H](C(=O)N(C)C[C@H](C)NC/C=C\Cl)c1ccccc1 ZINC001278024453 1099859968 /nfs/dbraw/zinc/85/99/68/1099859968.db2.gz DVQTWBJETLHOJF-TXAXFISLSA-N 0 3 306.837 3.145 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)C[C@@H](C)NCC#CC)c1ccccc1 ZINC001278034225 1099894219 /nfs/dbraw/zinc/89/42/19/1099894219.db2.gz LPAKWPURLZAALE-IEBWSBKVSA-N 0 3 312.457 3.196 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCc3ccc(C)cc3)[C@@H]2C1 ZINC001189046556 1099941315 /nfs/dbraw/zinc/94/13/15/1099941315.db2.gz XKMPGMAMSWKKTA-RBUKOAKNSA-N 0 3 312.457 3.036 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001189269901 1100013991 /nfs/dbraw/zinc/01/39/91/1100013991.db2.gz MNVXMPPIHPJPDS-RHSMWYFYSA-N 0 3 304.409 3.386 20 30 DGEDHN CCCC(C)(C)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001273581448 1100058661 /nfs/dbraw/zinc/05/86/61/1100058661.db2.gz BBQCHUNHSODGJA-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(Cl)cc1Cl ZINC001273583886 1100082860 /nfs/dbraw/zinc/08/28/60/1100082860.db2.gz DYDXCPQHVVUDCH-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2cccc(F)c2F)CC1 ZINC001278094181 1100114082 /nfs/dbraw/zinc/11/40/82/1100114082.db2.gz GSIIEIXUXWAKJK-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC001237468989 1100134551 /nfs/dbraw/zinc/13/45/51/1100134551.db2.gz OIQOYKJDVHTRBE-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN Cn1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c2cc(C#N)ccc21 ZINC001237473179 1100135446 /nfs/dbraw/zinc/13/54/46/1100135446.db2.gz GTNFTXOETVLFDB-XGBSXSJOSA-N 0 3 304.397 3.317 20 30 DGEDHN Cn1cc(CN2CCC3(CCCO3)CC2)c2cc(C#N)ccc21 ZINC001237471417 1100136252 /nfs/dbraw/zinc/13/62/52/1100136252.db2.gz UQQQDMMRTDOSTE-UHFFFAOYSA-N 0 3 309.413 3.195 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001189829939 1100138874 /nfs/dbraw/zinc/13/88/74/1100138874.db2.gz VKXAZZNBQWBNEP-MELADBBJSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488511 1100141304 /nfs/dbraw/zinc/14/13/04/1100141304.db2.gz MPEPTAPJIXFPMS-LPHOPBHVSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488511 1100141306 /nfs/dbraw/zinc/14/13/06/1100141306.db2.gz MPEPTAPJIXFPMS-LPHOPBHVSA-N 0 3 317.429 3.027 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001190004405 1100184469 /nfs/dbraw/zinc/18/44/69/1100184469.db2.gz OLYODLOGFHHBJK-QAPCUYQASA-N 0 3 316.420 3.079 20 30 DGEDHN N#Cc1ccc2nc(CN3CC[C@H](c4ccccc4)C3)cn2c1 ZINC001237609802 1100188404 /nfs/dbraw/zinc/18/84/04/1100188404.db2.gz XMKMGZJCOGSIMW-KRWDZBQOSA-N 0 3 302.381 3.195 20 30 DGEDHN Cc1ccnc2cccc(CN3CCC4SC(=O)C=C4C3)c12 ZINC001237624569 1100192810 /nfs/dbraw/zinc/19/28/10/1100192810.db2.gz KRWJMSXDFCJOBA-MRXNPFEDSA-N 0 3 310.422 3.317 20 30 DGEDHN Cc1cc(CN(C)[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)cs1 ZINC001190084858 1100202708 /nfs/dbraw/zinc/20/27/08/1100202708.db2.gz TUUJIEWUHJMFDS-INIZCTEOSA-N 0 3 318.486 3.139 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190335724 1100247208 /nfs/dbraw/zinc/24/72/08/1100247208.db2.gz AJXJMEICSSJPJD-KRWDZBQOSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(OC)cc2)C1 ZINC001190428367 1100272054 /nfs/dbraw/zinc/27/20/54/1100272054.db2.gz IDUYLLWFCTXQOF-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN CCCOc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001237904509 1100287518 /nfs/dbraw/zinc/28/75/18/1100287518.db2.gz BRLANXFSXLQWQL-INIZCTEOSA-N 0 3 321.417 3.389 20 30 DGEDHN C=CCOC(=O)N1CCC2(CN(Cc3ccsc3C)C2)CC1 ZINC001237964283 1100303322 /nfs/dbraw/zinc/30/33/22/1100303322.db2.gz IBTXSSZNBUKQOP-UHFFFAOYSA-N 0 3 320.458 3.277 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCCC1(C)C)C1CCN(CC(=C)C)CC1 ZINC001278177272 1100328304 /nfs/dbraw/zinc/32/83/04/1100328304.db2.gz MMZGWICXMCGJQM-GOSISDBHSA-N 0 3 316.489 3.315 20 30 DGEDHN COc1cc(CN2CCC3(CCC(C)(C)O3)CC2)ccc1C#N ZINC001238412960 1100435982 /nfs/dbraw/zinc/43/59/82/1100435982.db2.gz KJXMJCVIJGPVIX-UHFFFAOYSA-N 0 3 314.429 3.490 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC2(C1)CCCCCC2 ZINC001191350990 1100449411 /nfs/dbraw/zinc/44/94/11/1100449411.db2.gz UZGSPOIBEMMVIE-KRWDZBQOSA-N 0 3 319.493 3.431 20 30 DGEDHN CCc1cc(CN2CCC(n3nccc3C)CC2)ccc1C#N ZINC001238768102 1100523724 /nfs/dbraw/zinc/52/37/24/1100523724.db2.gz FTESBTYWEPGNKP-UHFFFAOYSA-N 0 3 308.429 3.463 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191837665 1100532011 /nfs/dbraw/zinc/53/20/11/1100532011.db2.gz BFVGKDMSTGITSM-IMTHGLKYSA-N 0 3 324.468 3.426 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191837667 1100532140 /nfs/dbraw/zinc/53/21/40/1100532140.db2.gz BFVGKDMSTGITSM-XEDBTPMOSA-N 0 3 324.468 3.426 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191890676 1100540412 /nfs/dbraw/zinc/54/04/12/1100540412.db2.gz SUVKXPAIFRAWLW-YJBOKZPZSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001191889880 1100541535 /nfs/dbraw/zinc/54/15/35/1100541535.db2.gz LXVLQKIUFUUJQG-MAUKXSAKSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N(C)Cc2cccc(OC)c2)C1 ZINC001192072865 1100565846 /nfs/dbraw/zinc/56/58/46/1100565846.db2.gz MEOBDEYAQWDQEW-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCc2ccccc2F)C1 ZINC001192093094 1100568797 /nfs/dbraw/zinc/56/87/97/1100568797.db2.gz HIFPDJDRNWIPIX-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001278287250 1100570520 /nfs/dbraw/zinc/57/05/20/1100570520.db2.gz ZGTMSLAPESGYFC-KQMFQYJFSA-N 0 3 322.452 3.140 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001203751676 1100585550 /nfs/dbraw/zinc/58/55/50/1100585550.db2.gz DVBSHUIOENXIEL-QGZVFWFLSA-N 0 3 302.418 3.180 20 30 DGEDHN CCCCCCCCCOC(=O)NC[C@H]1CCNC[C@@H]1F ZINC001239320721 1100631421 /nfs/dbraw/zinc/63/14/21/1100631421.db2.gz XMMOXHFNWKLNDT-CABCVRRESA-N 0 3 302.434 3.411 20 30 DGEDHN CCCCCCCCCOC(=O)NC[C@@H]1CCNC[C@H]1F ZINC001239320724 1100631526 /nfs/dbraw/zinc/63/15/26/1100631526.db2.gz XMMOXHFNWKLNDT-LSDHHAIUSA-N 0 3 302.434 3.411 20 30 DGEDHN CCCCCCC[C@H](C)NC(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001192937702 1100683064 /nfs/dbraw/zinc/68/30/64/1100683064.db2.gz IVPCRYYHZRCHFC-ULQDDVLXSA-N 0 3 309.498 3.471 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](CC)c2ccccc2)C1 ZINC001193433144 1100745983 /nfs/dbraw/zinc/74/59/83/1100745983.db2.gz QAZCRFDLEDDTFG-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193642431 1100779868 /nfs/dbraw/zinc/77/98/68/1100779868.db2.gz NYYVMOKMQQUVQV-GOSISDBHSA-N 0 3 324.509 3.472 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@]23CCN([C@H](C)CC)C3=O)cc1 ZINC001273671435 1100878220 /nfs/dbraw/zinc/87/82/20/1100878220.db2.gz GBJMKVAYDNJXBN-UZLBHIALSA-N 0 3 310.441 3.033 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194367602 1100921043 /nfs/dbraw/zinc/92/10/43/1100921043.db2.gz IXDBRNHMQSCQJC-ROUUACIJSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194336153 1100926329 /nfs/dbraw/zinc/92/63/29/1100926329.db2.gz GTBQMCNTUXIOJX-MSOLQXFVSA-N 0 3 324.509 3.184 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cccc(CC#N)c3F)c2)CC1 ZINC001240292622 1100928934 /nfs/dbraw/zinc/92/89/34/1100928934.db2.gz BMULXVSGRRIPGV-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN COCCN(C)Cc1ccnc(-c2ccc(Cl)c(C#N)c2)c1 ZINC001240401274 1100977915 /nfs/dbraw/zinc/97/79/15/1100977915.db2.gz RMRMHBUWOFLFTH-UHFFFAOYSA-N 0 3 315.804 3.352 20 30 DGEDHN Cc1cc(F)cc(-c2ccc(CN3CCN(C)CC3)cc2)c1C#N ZINC001240402371 1100979409 /nfs/dbraw/zinc/97/94/09/1100979409.db2.gz UVVPTFQDVWSOTQ-UHFFFAOYSA-N 0 3 323.415 3.420 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cc(CC#N)ccc3F)cc2)CC1 ZINC001240408077 1100981878 /nfs/dbraw/zinc/98/18/78/1100981878.db2.gz DCQGIQLTZYCISG-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN Cc1cc(C#N)cc(C(=O)N(C)CCN(C)Cc2ccccc2)c1 ZINC001195420230 1101140097 /nfs/dbraw/zinc/14/00/97/1101140097.db2.gz KVRUFMVBICDEBY-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001195785362 1101200922 /nfs/dbraw/zinc/20/09/22/1101200922.db2.gz JUDIAINIHSKRKJ-IBGZPJMESA-N 0 3 324.468 3.258 20 30 DGEDHN C=CC[C@@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001195893375 1101213176 /nfs/dbraw/zinc/21/31/76/1101213176.db2.gz MQEALXGFNLHDQB-OAHLLOKOSA-N 0 3 321.428 3.035 20 30 DGEDHN C=CCn1cccc1C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196171954 1101263008 /nfs/dbraw/zinc/26/30/08/1101263008.db2.gz SMZFZVDFZLSXIT-AATRIKPKSA-N 0 3 315.461 3.178 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(CC)CCC2)C12CCC2 ZINC001203305350 1101296751 /nfs/dbraw/zinc/29/67/51/1101296751.db2.gz WICPVPUUQHUTJP-UONOGXRCSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001196830321 1101401248 /nfs/dbraw/zinc/40/12/48/1101401248.db2.gz KOHLWBPMVCQLRW-SJLPKXTDSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196889946 1101416101 /nfs/dbraw/zinc/41/61/01/1101416101.db2.gz MFSCXJZRQMVRIP-CQSZACIVSA-N 0 3 314.420 3.168 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001197036205 1101461495 /nfs/dbraw/zinc/46/14/95/1101461495.db2.gz BUZKMPIPDXMDLN-KRWDZBQOSA-N 0 3 312.498 3.162 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ocnc2CC)CC1 ZINC001197101371 1101477010 /nfs/dbraw/zinc/47/70/10/1101477010.db2.gz IREUARYECGJDHB-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001197221157 1101501051 /nfs/dbraw/zinc/50/10/51/1101501051.db2.gz MTWVJLVMSLSGOZ-ZHALLVOQSA-N 0 3 324.509 3.111 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001197427564 1101565402 /nfs/dbraw/zinc/56/54/02/1101565402.db2.gz BNYUEAYIKPJLBI-IAGOWNOFSA-N 0 3 324.509 3.089 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC001273745483 1101581424 /nfs/dbraw/zinc/58/14/24/1101581424.db2.gz XRQPGBWFUQJCGO-IEBWSBKVSA-N 0 3 314.473 3.278 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3cc(F)cc(C#N)c3)cn2)CC1 ZINC001241658053 1101613621 /nfs/dbraw/zinc/61/36/21/1101613621.db2.gz VUCHFXVFKWJFFD-UHFFFAOYSA-N 0 3 324.403 3.290 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1C ZINC001110494739 1101635720 /nfs/dbraw/zinc/63/57/20/1101635720.db2.gz VQYPZAVPDISJNG-AQNXPRMDSA-N 0 3 324.468 3.328 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2sccc2OC)CC1 ZINC001197893425 1101693421 /nfs/dbraw/zinc/69/34/21/1101693421.db2.gz NVVYOMOFQGLYBD-CQSZACIVSA-N 0 3 322.474 3.259 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCN(CC(=C)C)CC1)c1ccccc1 ZINC001198205325 1101778872 /nfs/dbraw/zinc/77/88/72/1101778872.db2.gz TWUSTBCCKLIQQR-GOSISDBHSA-N 0 3 312.457 3.457 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCCN(CCCF)CC1)c1ccccc1 ZINC001198190513 1101783855 /nfs/dbraw/zinc/78/38/55/1101783855.db2.gz JBRMJAFNHYEZMN-GOSISDBHSA-N 0 3 318.436 3.240 20 30 DGEDHN CN1CCC(N(Cc2ccccc2)C(=O)CC(C)(C)C#N)CC1 ZINC000279163091 1101837994 /nfs/dbraw/zinc/83/79/94/1101837994.db2.gz BJDHANYTIRKAPJ-UHFFFAOYSA-N 0 3 313.445 3.049 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)CC(C)C)c1ccccc1OC ZINC001198498726 1101878330 /nfs/dbraw/zinc/87/83/30/1101878330.db2.gz AXJIAYNIYCTULM-QGZVFWFLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)C1CCC1)c1ccccc1OC ZINC001198483618 1101890127 /nfs/dbraw/zinc/89/01/27/1101890127.db2.gz XTVGHIYVZXVOPM-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@H](C)CC)c1ccccc1OC ZINC001198541983 1101912621 /nfs/dbraw/zinc/91/26/21/1101912621.db2.gz MAUSXGRDICYUSV-GDBMZVCRSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C(CC)CC)c1ccccc1OC ZINC001198556248 1101919223 /nfs/dbraw/zinc/91/92/23/1101919223.db2.gz YKGYWRVYPARWMN-QGZVFWFLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCCC(=C)C)c1ccccc1OC ZINC001198595250 1101920645 /nfs/dbraw/zinc/92/06/45/1101920645.db2.gz ITRQOZQBMAIWCR-KRWDZBQOSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCCC(=C)C)c1ccccc1OC ZINC001198595251 1101921204 /nfs/dbraw/zinc/92/12/04/1101921204.db2.gz ITRQOZQBMAIWCR-QGZVFWFLSA-N 0 3 316.445 3.375 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198677157 1101955228 /nfs/dbraw/zinc/95/52/28/1101955228.db2.gz IKKYGQCEOUYOSY-KRWDZBQOSA-N 0 3 316.445 3.044 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198825656 1101985727 /nfs/dbraw/zinc/98/57/27/1101985727.db2.gz DYCXJQAUAMWMRS-HNNXBMFYSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCC(C)C)c1ccccc1OC ZINC001198833478 1101988008 /nfs/dbraw/zinc/98/80/08/1101988008.db2.gz AFIMTINSJLDUQI-INIZCTEOSA-N 0 3 318.461 3.310 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCCCF)c1ccccc1OC ZINC001198836074 1101992099 /nfs/dbraw/zinc/99/20/99/1101992099.db2.gz YKZBQFABVFYRHW-OAHLLOKOSA-N 0 3 322.424 3.014 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198857420 1102003929 /nfs/dbraw/zinc/00/39/29/1102003929.db2.gz PBGJYFIQSDGLKV-ZBFHGGJFSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](NCCC=C)c1ccccc1OC ZINC001198875585 1102019106 /nfs/dbraw/zinc/01/91/06/1102019106.db2.gz CMXLHTKOIKXKRH-QGZVFWFLSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198875679 1102019458 /nfs/dbraw/zinc/01/94/58/1102019458.db2.gz GEVKFZUSQAVSSR-MRXNPFEDSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198916217 1102027712 /nfs/dbraw/zinc/02/77/12/1102027712.db2.gz JOZBYRJQFFAGEV-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1OC ZINC001198908415 1102034254 /nfs/dbraw/zinc/03/42/54/1102034254.db2.gz FORQLQYKHSBBNP-DJIMGWMZSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)C(C)(C)C)c1ccccc1OC ZINC001198969299 1102036942 /nfs/dbraw/zinc/03/69/42/1102036942.db2.gz UZSPSJJOWWJBRM-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN CN1CCC(Oc2ccnc(C3=CC(=O)CC(C)(C)C3)c2)CC1 ZINC001242317220 1102047871 /nfs/dbraw/zinc/04/78/71/1102047871.db2.gz WYWBKHSPALJXQK-UHFFFAOYSA-N 0 3 314.429 3.327 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cs1)C2 ZINC001110527668 1102058919 /nfs/dbraw/zinc/05/89/19/1102058919.db2.gz KDDKMDWYLCGKEW-KFWWJZLASA-N 0 3 304.459 3.358 20 30 DGEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001199218012 1102085938 /nfs/dbraw/zinc/08/59/38/1102085938.db2.gz XDGSXQGMFXDTJZ-ZHALLVOQSA-N 0 3 324.509 3.111 20 30 DGEDHN Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)cc1C ZINC001110534346 1102147251 /nfs/dbraw/zinc/14/72/51/1102147251.db2.gz WSKBQURPMYDHAN-AQNXPRMDSA-N 0 3 324.468 3.184 20 30 DGEDHN CCCC[C@@H](C(=O)NCCNCc1ccc(C#N)cc1)C(C)C ZINC001152646710 1102160515 /nfs/dbraw/zinc/16/05/15/1102160515.db2.gz SCCDBHQMCSXULW-GOSISDBHSA-N 0 3 315.461 3.226 20 30 DGEDHN Cc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110537921 1102171037 /nfs/dbraw/zinc/17/10/37/1102171037.db2.gz FMUJKDVVPOJKIM-AFYVEPGGSA-N 0 3 324.468 3.437 20 30 DGEDHN N#Cc1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)ccc1[O-] ZINC001242563306 1102211361 /nfs/dbraw/zinc/21/13/61/1102211361.db2.gz DGIZUEGCQLVYTM-UHFFFAOYSA-N 0 3 304.393 3.498 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152723422 1102324045 /nfs/dbraw/zinc/32/40/45/1102324045.db2.gz AYCDWOKKASWGFS-CQSZACIVSA-N 0 3 317.408 3.148 20 30 DGEDHN Cn1ncc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201469989 1102599090 /nfs/dbraw/zinc/59/90/90/1102599090.db2.gz HQSSPULOKOVYTR-MSOLQXFVSA-N 0 3 319.412 3.024 20 30 DGEDHN N#Cc1ncc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001201474727 1102625016 /nfs/dbraw/zinc/62/50/16/1102625016.db2.gz LIRVUPNHTJPHRV-MSOLQXFVSA-N 0 3 317.396 3.081 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001202053524 1102800812 /nfs/dbraw/zinc/80/08/12/1102800812.db2.gz DTHGZHHFWXLWBU-PXNMLYILSA-N 0 3 323.440 3.161 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3ccc(OCC#N)cc3)c2)CC1 ZINC001243590604 1102832605 /nfs/dbraw/zinc/83/26/05/1102832605.db2.gz YZDWIVFLUYPORV-UHFFFAOYSA-N 0 3 323.396 3.124 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc(CC#N)c(C#N)c3)c2)CC1 ZINC001243670259 1102903318 /nfs/dbraw/zinc/90/33/18/1102903318.db2.gz HZABSOSUCKESDS-UHFFFAOYSA-N 0 3 316.408 3.043 20 30 DGEDHN CC(C)CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202343187 1102935221 /nfs/dbraw/zinc/93/52/21/1102935221.db2.gz STOGQKJENCFTOQ-MOPGFXCFSA-N 0 3 324.468 3.101 20 30 DGEDHN C#Cc1ccc(CN2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC001325646998 1103090890 /nfs/dbraw/zinc/09/08/90/1103090890.db2.gz MYIGRLYIAJKOIH-UHFFFAOYSA-N 0 3 323.411 3.377 20 30 DGEDHN CCN1CCN(Cc2ccc(NC3=CC[C@H](C#N)CC3)cc2)CC1 ZINC001212861397 1103100015 /nfs/dbraw/zinc/10/00/15/1103100015.db2.gz SEOIXCZGEQWOHA-KRWDZBQOSA-N 0 3 324.472 3.444 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001325694151 1103102604 /nfs/dbraw/zinc/10/26/04/1103102604.db2.gz SHDGBODFFPOVLW-ACDBMABISA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001488673848 1103102720 /nfs/dbraw/zinc/10/27/20/1103102720.db2.gz DXDKMTKUWUBLNC-PKOBYXMFSA-N 0 3 322.493 3.082 20 30 DGEDHN CCC(=CC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)CC ZINC001488728703 1103127122 /nfs/dbraw/zinc/12/71/22/1103127122.db2.gz WLNOBVMDWVTLAS-BGYRXZFFSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)OCCCCCC ZINC001325898733 1103156065 /nfs/dbraw/zinc/15/60/65/1103156065.db2.gz JCOIBPSTUIZUCG-KZNAEPCWSA-N 0 3 322.493 3.223 20 30 DGEDHN CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001488815850 1103167856 /nfs/dbraw/zinc/16/78/56/1103167856.db2.gz DDRDMDHOMOSDQB-UFGZZTJGSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110592982 1103212314 /nfs/dbraw/zinc/21/23/14/1103212314.db2.gz BVEMOANGDLJEPN-KURKYZTESA-N 0 3 302.462 3.443 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001326192148 1103228248 /nfs/dbraw/zinc/22/82/48/1103228248.db2.gz UFSJJWVERILNIO-NSHDSACASA-N 0 3 317.216 3.127 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ncccc31)C2 ZINC001095835967 1103234968 /nfs/dbraw/zinc/23/49/68/1103234968.db2.gz MBDJTNBDNDNISM-CCKFTAQKSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1c[nH]cc1C ZINC001489002918 1103244530 /nfs/dbraw/zinc/24/45/30/1103244530.db2.gz PERHSQRZTUYPRZ-WBMJQRKESA-N 0 3 323.868 3.296 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2sc(C)nc2C)C[C@@H]1C ZINC001278377652 1103248951 /nfs/dbraw/zinc/24/89/51/1103248951.db2.gz HLUBMXXJKUUYJZ-WFASDCNBSA-N 0 3 321.490 3.195 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)cs1)C2 ZINC001095859424 1103270673 /nfs/dbraw/zinc/27/06/73/1103270673.db2.gz VONPLZMLYDLBQR-SNPRPXQTSA-N 0 3 320.458 3.058 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@@H]1CC ZINC001489131995 1103289623 /nfs/dbraw/zinc/28/96/23/1103289623.db2.gz COMNGAHBTIQAIE-FUHWJXTLSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C[C@@H](C)SC ZINC001326449471 1103321662 /nfs/dbraw/zinc/32/16/62/1103321662.db2.gz MIUZHBGYJFCTKD-OAHLLOKOSA-N 0 3 320.502 3.452 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)[C@H]1C ZINC001489292462 1103343215 /nfs/dbraw/zinc/34/32/15/1103343215.db2.gz BXGNUCZHPOQHMH-BBWFWOEESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cc(C)ccc1C ZINC001489340599 1103366220 /nfs/dbraw/zinc/36/62/20/1103366220.db2.gz ZBAUXLQPEORNGQ-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)[nH]c2C)CCCC1 ZINC001495191593 1103390423 /nfs/dbraw/zinc/39/04/23/1103390423.db2.gz MALSSTDKXUTJJV-UHFFFAOYSA-N 0 3 309.841 3.016 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114792281 1103444671 /nfs/dbraw/zinc/44/46/71/1103444671.db2.gz QUPNPSDILKJHTE-RRAMTDQISA-N 0 3 324.468 3.349 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2ccc(Cl)s2)CCC1 ZINC001326817718 1103454622 /nfs/dbraw/zinc/45/46/22/1103454622.db2.gz WYBICAGAVQXGCE-UHFFFAOYSA-N 0 3 324.877 3.189 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001495339524 1103481757 /nfs/dbraw/zinc/48/17/57/1103481757.db2.gz DYCCSHTVWFCRBG-HZPDHXFCSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001276326689 1103494857 /nfs/dbraw/zinc/49/48/57/1103494857.db2.gz JDRVSCMEINXCJE-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001327126327 1103539364 /nfs/dbraw/zinc/53/93/64/1103539364.db2.gz POCYMGLSABCRSB-ZDUSSCGKSA-N 0 3 306.372 3.266 20 30 DGEDHN CCCC(=O)NCCCN(CC)CC#Cc1ccccc1Cl ZINC001490310922 1103562154 /nfs/dbraw/zinc/56/21/54/1103562154.db2.gz RRVGGDYLPCQOJB-UHFFFAOYSA-N 0 3 320.864 3.320 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001490431714 1103624496 /nfs/dbraw/zinc/62/44/96/1103624496.db2.gz WXRMDHRFPBDBAT-JSGCOSHPSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1C1CC1)C2 ZINC001095928385 1103660802 /nfs/dbraw/zinc/66/08/02/1103660802.db2.gz YTDVWPKJPXSZQC-KBMXLJTQSA-N 0 3 300.402 3.068 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC1(C)CC1 ZINC001327507230 1103664496 /nfs/dbraw/zinc/66/44/96/1103664496.db2.gz JBOBKSZZOJKLKT-SFHVURJKSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1ccccc1F)C1CC1 ZINC001490669615 1103691439 /nfs/dbraw/zinc/69/14/39/1103691439.db2.gz XNNNWCYAYNSXKP-KRWDZBQOSA-N 0 3 318.436 3.412 20 30 DGEDHN Cc1c(C#N)cccc1-c1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001244816090 1103698997 /nfs/dbraw/zinc/69/89/97/1103698997.db2.gz FNFCDMMNUVERNP-UHFFFAOYSA-N 0 3 322.412 3.372 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(c3ccccc3)CC1)C2 ZINC001110641045 1103764911 /nfs/dbraw/zinc/76/49/11/1103764911.db2.gz DOIWOPJIBVTRJI-QRVBRYPASA-N 0 3 324.468 3.406 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C1CCC1)C2 ZINC001096449316 1103836613 /nfs/dbraw/zinc/83/66/13/1103836613.db2.gz FLWJSFKGGYEGTF-UXPWSPDFSA-N 0 3 322.452 3.313 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001490798245 1103871266 /nfs/dbraw/zinc/87/12/66/1103871266.db2.gz JHIMPCNQILLSRE-ZSYWTGECSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCC[C@H](O)CNCc1ccc(Br)cc1F ZINC001252588905 1103877201 /nfs/dbraw/zinc/87/72/01/1103877201.db2.gz GNJGHXBOHWFGDX-LBPRGKRZSA-N 0 3 302.187 3.005 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC/C=C\c2ccccc2)C1 ZINC001278399031 1103877982 /nfs/dbraw/zinc/87/79/82/1103877982.db2.gz SPLKMNILTCRWIF-ICIZHURDSA-N 0 3 310.441 3.082 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC2(C=C)CCCCC2)C[C@@H]1C ZINC001328280278 1103900656 /nfs/dbraw/zinc/90/06/56/1103900656.db2.gz SLWNIQCYRZYAPJ-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC ZINC001111435675 1103902110 /nfs/dbraw/zinc/90/21/10/1103902110.db2.gz YSNQBSKNFAQKHE-MKXGPGLRSA-N 0 3 312.457 3.163 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC=C)c1ccccc1)C2 ZINC001111436383 1103909166 /nfs/dbraw/zinc/90/91/66/1103909166.db2.gz DOOWWNBWUVLZGB-WTGUMLROSA-N 0 3 322.452 3.091 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001096741195 1103926005 /nfs/dbraw/zinc/92/60/05/1103926005.db2.gz AKOOUHBBYXOOFM-KFWWJZLASA-N 0 3 304.459 3.358 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1c(C)cc(C)cc1C ZINC001328403196 1103934938 /nfs/dbraw/zinc/93/49/38/1103934938.db2.gz RMVRELMMPOCCTH-INIZCTEOSA-N 0 3 322.880 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(c2ccccc2C)CC1 ZINC001328465009 1103954858 /nfs/dbraw/zinc/95/48/58/1103954858.db2.gz STOFZYYVBDGMOP-HNNXBMFYSA-N 0 3 320.864 3.264 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)cc1 ZINC001137122795 1103996871 /nfs/dbraw/zinc/99/68/71/1103996871.db2.gz SSQAWZZFUKNYNC-GOSISDBHSA-N 0 3 320.392 3.294 20 30 DGEDHN COc1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1CC#N ZINC001245422021 1104041514 /nfs/dbraw/zinc/04/15/14/1104041514.db2.gz BPQGXOGOIHFACK-SFHVURJKSA-N 0 3 312.413 3.029 20 30 DGEDHN N#Cc1ccc(C2=CC[C@H](N3CCOCC3)CC2)c2cc[nH]c21 ZINC001245427459 1104047121 /nfs/dbraw/zinc/04/71/21/1104047121.db2.gz PBAAHKAXSMGHJB-INIZCTEOSA-N 0 3 307.397 3.308 20 30 DGEDHN N#Cc1cc2[nH]ccc2c(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245426560 1104048081 /nfs/dbraw/zinc/04/80/81/1104048081.db2.gz JQQXSKURYHCKJY-MRXNPFEDSA-N 0 3 307.397 3.308 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1)CC ZINC001329011650 1104123380 /nfs/dbraw/zinc/12/33/80/1104123380.db2.gz BTTKWBNZZXMCMI-QWHCGFSZSA-N 0 3 319.474 3.349 20 30 DGEDHN Cc1coc(C)c1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329029134 1104131325 /nfs/dbraw/zinc/13/13/25/1104131325.db2.gz ZTCMPRCOVJDHFO-HOTGVXAUSA-N 0 3 324.424 3.045 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](C)[C@H](C)NC(=O)C#CC1CC1 ZINC001329031620 1104131333 /nfs/dbraw/zinc/13/13/33/1104131333.db2.gz CIGGXJFAJKXSGF-KGLIPLIRSA-N 0 3 318.848 3.045 20 30 DGEDHN C#CC[C@H](CCOC)NCc1ccc(Sc2ccccn2)o1 ZINC001329173731 1104179408 /nfs/dbraw/zinc/17/94/08/1104179408.db2.gz QNCKDZWNGUNKQL-CQSZACIVSA-N 0 3 316.426 3.344 20 30 DGEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H](C)NC(=O)C(C)(C)C ZINC001329175116 1104180048 /nfs/dbraw/zinc/18/00/48/1104180048.db2.gz YRAGZXJXOQWACQ-ZIAGYGMSSA-N 0 3 320.864 3.220 20 30 DGEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)C(C)(C)C ZINC001329175114 1104180594 /nfs/dbraw/zinc/18/05/94/1104180594.db2.gz YRAGZXJXOQWACQ-KGLIPLIRSA-N 0 3 320.864 3.220 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1sccc1F ZINC001329293061 1104213532 /nfs/dbraw/zinc/21/35/32/1104213532.db2.gz SAAIKFUCIADSMF-UHFFFAOYSA-N 0 3 318.845 3.328 20 30 DGEDHN N#CCCCCN1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001274043845 1104232145 /nfs/dbraw/zinc/23/21/45/1104232145.db2.gz VLKHPNGZLJKZIN-GOSISDBHSA-N 0 3 303.450 3.080 20 30 DGEDHN C[C@@H](CNC(=O)CCC1CCC1)N(C)Cc1cccc(C#N)c1 ZINC001329412243 1104254645 /nfs/dbraw/zinc/25/46/45/1104254645.db2.gz RAEDLSTYHOTHSP-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329450047 1104268747 /nfs/dbraw/zinc/26/87/47/1104268747.db2.gz KENJWGASRYDXRA-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(CC(C)C)cc2)C1=O ZINC001274199890 1104285024 /nfs/dbraw/zinc/28/50/24/1104285024.db2.gz DVDGKYVBTOAMEL-OAQYLSRUSA-N 0 3 324.468 3.085 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1F)C2 ZINC001095387806 1104295269 /nfs/dbraw/zinc/29/52/69/1104295269.db2.gz RWICAYVRUMXKEM-XBFCOCLRSA-N 0 3 308.422 3.189 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)CCCC)C2 ZINC001110829656 1104311974 /nfs/dbraw/zinc/31/19/74/1104311974.db2.gz GYSOQOTXNYSXNJ-TVFCKZIOSA-N 0 3 304.478 3.338 20 30 DGEDHN CCCCC(=O)N1CCC(C)(NCc2ccccc2C#N)CC1 ZINC001274313388 1104350280 /nfs/dbraw/zinc/35/02/80/1104350280.db2.gz DXTLUVNGCNYMLQ-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1ccc(F)cc1 ZINC001274338849 1104358261 /nfs/dbraw/zinc/35/82/61/1104358261.db2.gz IZGHKNCWZNQRMN-DKFQHHCZSA-N 0 3 304.409 3.190 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2cccc3sccc32)C1=O ZINC001274462613 1104392774 /nfs/dbraw/zinc/39/27/74/1104392774.db2.gz HOMOKHYGCRDWGS-LJQANCHMSA-N 0 3 324.449 3.101 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1c(C)cccc1F)CC2 ZINC001274582751 1104412896 /nfs/dbraw/zinc/41/28/96/1104412896.db2.gz DXHIBCRPMUVFTH-MRXNPFEDSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3c(C)cccc3F)CC2)C1=O ZINC001274583338 1104413467 /nfs/dbraw/zinc/41/34/67/1104413467.db2.gz LGJXRWKJHGVXDT-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001329951489 1104435687 /nfs/dbraw/zinc/43/56/87/1104435687.db2.gz HEPZPMNCTYDZPM-ZWKOTPCHSA-N 0 3 318.436 3.114 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001330020915 1104453955 /nfs/dbraw/zinc/45/39/55/1104453955.db2.gz JJXGZQDSBWOUIE-CQSZACIVSA-N 0 3 320.864 3.204 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C2CC2)cc1 ZINC001274816698 1104500662 /nfs/dbraw/zinc/50/06/62/1104500662.db2.gz VEXOUOFLXRHZEN-NRFANRHFSA-N 0 3 322.452 3.154 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CC(C(C)(C)C)C1 ZINC001274841211 1104512756 /nfs/dbraw/zinc/51/27/56/1104512756.db2.gz PVQYWXWGPHTHIA-HSBZDZAISA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001278449817 1104557172 /nfs/dbraw/zinc/55/71/72/1104557172.db2.gz JIFXSMOWRXOOKB-KDOFPFPSSA-N 0 3 320.864 3.285 20 30 DGEDHN N#Cc1cccc(Cl)c1CN1CC2(CCN2C2CCCC2)C1 ZINC001275005215 1104573444 /nfs/dbraw/zinc/57/34/44/1104573444.db2.gz AJQCMTGSBPXUGG-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001275092172 1104618684 /nfs/dbraw/zinc/61/86/84/1104618684.db2.gz DPZNADNVKSOBFD-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN N#CC1(c2ccccc2)CCC(N2CCC(F)(F)[C@H](N)C2)CC1 ZINC001246603559 1104620555 /nfs/dbraw/zinc/62/05/55/1104620555.db2.gz ZYFIPNMTWJMIRW-AQFXKWCLSA-N 0 3 319.399 3.059 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cccc(=O)[nH]1 ZINC001275130597 1104641016 /nfs/dbraw/zinc/64/10/16/1104641016.db2.gz BLTVJQXXAGIFOU-HDICACEKSA-N 0 3 317.477 3.406 20 30 DGEDHN CCCCCCCCN1CC2(C1)CN(Cc1nccn1CC)C2 ZINC001275130672 1104641027 /nfs/dbraw/zinc/64/10/27/1104641027.db2.gz DSUCBEHVEHBQCS-UHFFFAOYSA-N 0 3 318.509 3.381 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001275160139 1104657675 /nfs/dbraw/zinc/65/76/75/1104657675.db2.gz KCDZHLBRTGMUEA-AZRLCKCBSA-N 0 3 316.489 3.312 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCC3CCCCC3)CCC[C@H]12 ZINC001278467519 1104695868 /nfs/dbraw/zinc/69/58/68/1104695868.db2.gz RBKQJXPGUXWJTR-PKOBYXMFSA-N 0 3 302.462 3.093 20 30 DGEDHN Cc1cccc(C)c1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275312617 1104718268 /nfs/dbraw/zinc/71/82/68/1104718268.db2.gz FCAMYJIZUDTKNH-SFHVURJKSA-N 0 3 320.436 3.063 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001275399935 1104747423 /nfs/dbraw/zinc/74/74/23/1104747423.db2.gz SRDQDSRWKWEAKC-KBPBESRZSA-N 0 3 321.490 3.286 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C1CCCC1 ZINC001275406133 1104749126 /nfs/dbraw/zinc/74/91/26/1104749126.db2.gz LEUAKFDAPSAWDG-QWHCGFSZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001275463866 1104767359 /nfs/dbraw/zinc/76/73/59/1104767359.db2.gz ZSUXQVMBGXSJTA-QWHCGFSZSA-N 0 3 319.474 3.205 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001275468393 1104769115 /nfs/dbraw/zinc/76/91/15/1104769115.db2.gz AXZWOAKKWSKAPR-IRXDYDNUSA-N 0 3 324.468 3.101 20 30 DGEDHN C[C@@H](NC(=O)C1CC2(CCC2)C1)[C@H](C)NCC#Cc1ccccc1 ZINC001275468391 1104769251 /nfs/dbraw/zinc/76/92/51/1104769251.db2.gz AXZWOAKKWSKAPR-DLBZAZTESA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001275501657 1104781986 /nfs/dbraw/zinc/78/19/86/1104781986.db2.gz HVURRWOJOQIJLS-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c(C#N)c1 ZINC001275616232 1104832897 /nfs/dbraw/zinc/83/28/97/1104832897.db2.gz FSRZVFRUXUNFFM-PMACEKPBSA-N 0 3 320.440 3.044 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001275621970 1104835341 /nfs/dbraw/zinc/83/53/41/1104835341.db2.gz KBCZEFAUKFNARB-HNNXBMFYSA-N 0 3 314.473 3.324 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001275621971 1104835775 /nfs/dbraw/zinc/83/57/75/1104835775.db2.gz KBCZEFAUKFNARB-OAHLLOKOSA-N 0 3 314.473 3.324 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(C#Cc3ccccc3)n2)cc1 ZINC001247410626 1104895295 /nfs/dbraw/zinc/89/52/95/1104895295.db2.gz JIPNRGJMYVIHTM-UHFFFAOYSA-N 0 3 303.365 3.198 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@@H]3CCCN3)n2)cc1Cl ZINC001247496257 1104912745 /nfs/dbraw/zinc/91/27/45/1104912745.db2.gz AEPXDWXDUSXJHK-NSHDSACASA-N 0 3 309.156 3.340 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001275818601 1104921727 /nfs/dbraw/zinc/92/17/27/1104921727.db2.gz KHWDHNQVENKODT-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2scnc2C)CC1 ZINC001280756266 1104937435 /nfs/dbraw/zinc/93/74/35/1104937435.db2.gz JFEGWCVDWSTAGA-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001275904802 1104949536 /nfs/dbraw/zinc/94/95/36/1104949536.db2.gz OAQLKMQOBOSSDD-GJZGRUSLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2scnc21 ZINC001276001189 1104984871 /nfs/dbraw/zinc/98/48/71/1104984871.db2.gz FWZBPSOKNFSKMA-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN C=CCCCCCN1CC2(C1)CN(C(=O)[C@H]1C=CCC=C1C)C2 ZINC001276034702 1104992030 /nfs/dbraw/zinc/99/20/30/1104992030.db2.gz BNXXXKMOJXQDMA-SFHVURJKSA-N 0 3 314.473 3.399 20 30 DGEDHN C=CCCCCCCN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001276041500 1105003094 /nfs/dbraw/zinc/00/30/94/1105003094.db2.gz MJEXKVLYUXEHQZ-KDURUIRLSA-N 0 3 306.494 3.451 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2C=CC=CC=C2)CCCCC1 ZINC001276208321 1105048547 /nfs/dbraw/zinc/04/85/47/1105048547.db2.gz LKAGGVDBHRCRHR-UHFFFAOYSA-N 0 3 320.864 3.446 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCCCC1)C2 ZINC001095547969 1105075860 /nfs/dbraw/zinc/07/58/60/1105075860.db2.gz GZGMKJSVEXLJDI-IKGGRYGDSA-N 0 3 302.462 3.092 20 30 DGEDHN C=CCOc1ccc(-c2noc([C@H]3N[C@H]4CC[C@@H]3C4)n2)c(F)c1 ZINC001248360555 1105103572 /nfs/dbraw/zinc/10/35/72/1105103572.db2.gz QAXMLRZPTRMPMX-ZETOZRRWSA-N 0 3 315.348 3.254 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110891856 1105103518 /nfs/dbraw/zinc/10/35/18/1105103518.db2.gz CKGWQYFXNMIJGG-ZACQAIPSSA-N 0 3 322.493 3.125 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@@H](C)F)CCC1 ZINC001110987021 1105135176 /nfs/dbraw/zinc/13/51/76/1105135176.db2.gz GBSJBUOLPQOCQJ-FPCVCCKLSA-N 0 3 308.441 3.202 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(F)c(F)cc3Cl)no2)CCCN1 ZINC001249351915 1105272114 /nfs/dbraw/zinc/27/21/14/1105272114.db2.gz PFWOCGRRNXJADC-OAHLLOKOSA-N 0 3 323.730 3.270 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(OC)ccc3Cl)no2)CCCN1 ZINC001249351894 1105272613 /nfs/dbraw/zinc/27/26/13/1105272613.db2.gz OKIBUUKPAMDQBB-MRXNPFEDSA-N 0 3 317.776 3.001 20 30 DGEDHN N#Cc1ccc(NC2=CC[C@H](N3CCOCC3)CC2)cc1Cl ZINC001249554787 1105311980 /nfs/dbraw/zinc/31/19/80/1105311980.db2.gz DROPOAPUGQQRJV-INIZCTEOSA-N 0 3 317.820 3.392 20 30 DGEDHN N#Cc1cc(NC2=CC[C@@H](N3CCOCC3)CC2)ccc1Cl ZINC001249559640 1105315499 /nfs/dbraw/zinc/31/54/99/1105315499.db2.gz URIPMOFTSZTQGW-MRXNPFEDSA-N 0 3 317.820 3.392 20 30 DGEDHN N#Cc1c(F)cc(NC2=CC[C@H](N3CCOCC3)CC2)cc1F ZINC001249560524 1105315527 /nfs/dbraw/zinc/31/55/27/1105315527.db2.gz AIJUSPHFQFUODH-AWEZNQCLSA-N 0 3 319.355 3.017 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CCOC(C)C)[C@H]2C)CC1 ZINC001278521972 1105332850 /nfs/dbraw/zinc/33/28/50/1105332850.db2.gz SBDXSLJYQBTGQU-FUHWJXTLSA-N 0 3 322.493 3.127 20 30 DGEDHN CCCCCCCNC(=S)N1CCN(C2CCCC2)CC1 ZINC001249636100 1105338244 /nfs/dbraw/zinc/33/82/44/1105338244.db2.gz MNKOBTRJEUOOQL-UHFFFAOYSA-N 0 3 311.539 3.392 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1C(C)C)C2 ZINC001097210583 1105365821 /nfs/dbraw/zinc/36/58/21/1105365821.db2.gz YAIOIWFIAXDBBX-BMFZPTHFSA-N 0 3 317.433 3.099 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3n1C)C2 ZINC001097742247 1105439165 /nfs/dbraw/zinc/43/91/65/1105439165.db2.gz REOCVTYDRUAEMQ-NUJGCVRESA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)cc(C)c1)C2 ZINC001097772891 1105441253 /nfs/dbraw/zinc/44/12/53/1105441253.db2.gz HUJCQOGKOLYYKG-QRVBRYPASA-N 0 3 312.457 3.144 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C2 ZINC001098015242 1105501966 /nfs/dbraw/zinc/50/19/66/1105501966.db2.gz JQYLBRRLFMPOCO-IVDHNXQLSA-N 0 3 324.468 3.396 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001490903918 1105554367 /nfs/dbraw/zinc/55/43/67/1105554367.db2.gz OTNPYRXEGHKLQX-UHJFYGHISA-N 0 3 322.811 3.218 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CN(CCCc2ccsc2)C1 ZINC001276388965 1105557640 /nfs/dbraw/zinc/55/76/40/1105557640.db2.gz MWIQJHYQJMMFHR-HNNXBMFYSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H](C)CC(F)(F)F)C2 ZINC001255653369 1105559741 /nfs/dbraw/zinc/55/97/41/1105559741.db2.gz NZULQIOIKTVANX-HZSPNIEDSA-N 0 3 307.356 3.153 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cc1C)C2 ZINC001098253301 1105564723 /nfs/dbraw/zinc/56/47/23/1105564723.db2.gz APPFKNXSVVZQEQ-OIISXLGYSA-N 0 3 302.393 3.045 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)s1)C2 ZINC001098487739 1105580104 /nfs/dbraw/zinc/58/01/04/1105580104.db2.gz MKGWREYYVRBMSF-UPJWGTAASA-N 0 3 308.422 3.189 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3C)CC1)C2 ZINC001098499768 1105580255 /nfs/dbraw/zinc/58/02/55/1105580255.db2.gz MMKDKUYSOULUGG-QRQLOZEOSA-N 0 3 324.468 3.324 20 30 DGEDHN C=C[C@@H](NC[C@H](O)COc1cccc(F)c1)c1ccccc1 ZINC001250835468 1105591811 /nfs/dbraw/zinc/59/18/11/1105591811.db2.gz NSSAXUKYCFGWEA-FUHWJXTLSA-N 0 3 301.361 3.082 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3occc3c2)C1 ZINC001098850983 1105608800 /nfs/dbraw/zinc/60/88/00/1105608800.db2.gz WSIANOHHFLEPNC-LPHOPBHVSA-N 0 3 310.397 3.203 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=C)C ZINC001098960939 1105619410 /nfs/dbraw/zinc/61/94/10/1105619410.db2.gz UDBZFOVLZHGNPO-SJORKVTESA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(F)(F)F ZINC001098989278 1105623132 /nfs/dbraw/zinc/62/31/32/1105623132.db2.gz WTVJSEBXMDXZGO-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001099013417 1105627900 /nfs/dbraw/zinc/62/79/00/1105627900.db2.gz MHZCZPUADCLAFM-YJBOKZPZSA-N 0 3 318.848 3.419 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csc(C(C)C)n2)C1 ZINC001099081445 1105640590 /nfs/dbraw/zinc/64/05/90/1105640590.db2.gz UHHGUPHNLXMCOM-GUYCJALGSA-N 0 3 319.474 3.037 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001099121251 1105644413 /nfs/dbraw/zinc/64/44/13/1105644413.db2.gz UKUBLAWNQMYEBV-FPOVZHCZSA-N 0 3 322.452 3.416 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001099149359 1105650671 /nfs/dbraw/zinc/65/06/71/1105650671.db2.gz VFIUZFWKWVQXLA-FPOVZHCZSA-N 0 3 324.468 3.336 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C2CC2)CCC1 ZINC001099158791 1105651613 /nfs/dbraw/zinc/65/16/13/1105651613.db2.gz LEPYTFMGHBFBNW-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C2CC2)CCC1 ZINC001099159326 1105651748 /nfs/dbraw/zinc/65/17/48/1105651748.db2.gz QMSZDGOSEWWWGL-KRWDZBQOSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@](C)(C=C)CCOC ZINC001099159126 1105652053 /nfs/dbraw/zinc/65/20/53/1105652053.db2.gz PAXOHWHYCYFMKK-VQIMIIECSA-N 0 3 322.493 3.008 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001099173966 1105653380 /nfs/dbraw/zinc/65/33/80/1105653380.db2.gz RVOLSCUECMQZIE-ICSRJNTNSA-N 0 3 310.441 3.334 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001099172793 1105653859 /nfs/dbraw/zinc/65/38/59/1105653859.db2.gz TXBGABCLEAEUHE-LQWHRVPQSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(F)F)CCC1 ZINC001099199951 1105656555 /nfs/dbraw/zinc/65/65/55/1105656555.db2.gz SKOXDQWWDTUDOD-CYBMUJFWSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001099244792 1105661479 /nfs/dbraw/zinc/66/14/79/1105661479.db2.gz DCAOGQCBHCTFTP-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C1CC1)C1CC1)C2 ZINC001111471097 1105668042 /nfs/dbraw/zinc/66/80/42/1105668042.db2.gz MCSUFAFCCXEVMV-NXHRZFHOSA-N 0 3 302.462 3.110 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCCC)C(C)C)C2 ZINC001111474639 1105686808 /nfs/dbraw/zinc/68/68/08/1105686808.db2.gz DELYDKKFKHMAFE-TVFCKZIOSA-N 0 3 304.478 3.194 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001278637127 1105694289 /nfs/dbraw/zinc/69/42/89/1105694289.db2.gz VOSHLAPTMAOFLB-FQEVSTJZSA-N 0 3 316.489 3.365 20 30 DGEDHN N#Cc1ccccc1OC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001251991154 1105719960 /nfs/dbraw/zinc/71/99/60/1105719960.db2.gz IAOFNMSZEZTTPJ-LJQANCHMSA-N 0 3 322.408 3.135 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001490931683 1105722731 /nfs/dbraw/zinc/72/27/31/1105722731.db2.gz CICZLAXTHMYBBJ-BPUTZDHNSA-N 0 3 320.864 3.478 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001491051735 1105742453 /nfs/dbraw/zinc/74/24/53/1105742453.db2.gz GMYOGGLVTLFBLZ-WDMOLILDSA-N 0 3 305.249 3.145 20 30 DGEDHN CCCCCCCC[C@H](O)CN[C@@H](CO)c1cccc(OC)c1 ZINC001252132926 1105747323 /nfs/dbraw/zinc/74/73/23/1105747323.db2.gz FFSQSSALCJXCTJ-HKUYNNGSSA-N 0 3 323.477 3.430 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001252132240 1105747411 /nfs/dbraw/zinc/74/74/11/1105747411.db2.gz CNWQAGXEEBJTQU-MSOLQXFVSA-N 0 3 324.509 3.089 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CC[C@H](Oc2ncccn2)C1 ZINC001252134113 1105748102 /nfs/dbraw/zinc/74/81/02/1105748102.db2.gz VKEKCDCRWKFDQA-IRXDYDNUSA-N 0 3 321.465 3.041 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001278667435 1105781450 /nfs/dbraw/zinc/78/14/50/1105781450.db2.gz DXQFOJVGQNKFIT-LJQANCHMSA-N 0 3 315.461 3.223 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001491235770 1105783833 /nfs/dbraw/zinc/78/38/33/1105783833.db2.gz GSRZZBMUFRRNMS-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccc(C)s1 ZINC001491236047 1105784114 /nfs/dbraw/zinc/78/41/14/1105784114.db2.gz HPGCUEVGYBRAFR-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCOC[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC001252484295 1105784354 /nfs/dbraw/zinc/78/43/54/1105784354.db2.gz BFNGKKYVKNUOEU-JQWIXIFHSA-N 0 3 304.217 3.208 20 30 DGEDHN C=CC1(CC(=O)N2C[C@H](NCCF)C(C)(C)C2)CCCCC1 ZINC001278673324 1105797781 /nfs/dbraw/zinc/79/77/81/1105797781.db2.gz RLOSPCGLAKHRLM-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001252596689 1105800852 /nfs/dbraw/zinc/80/08/52/1105800852.db2.gz TUYVVOJJIKTHSX-OAHLLOKOSA-N 0 3 317.404 3.073 20 30 DGEDHN C=CCC[C@H](O)CN1CCSC[C@H]1c1cccc(OC)c1 ZINC001252604411 1105801592 /nfs/dbraw/zinc/80/15/92/1105801592.db2.gz RXWCXYDOOJGVNC-RDJZCZTQSA-N 0 3 307.459 3.112 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccsc2Cl)C1 ZINC001278681457 1105826529 /nfs/dbraw/zinc/82/65/29/1105826529.db2.gz GCKBRZQPACZHAZ-HNNXBMFYSA-N 0 3 312.866 3.419 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001100881255 1105860337 /nfs/dbraw/zinc/86/03/37/1105860337.db2.gz SDFYTWUGQXCURE-HPUBIQBYSA-N 0 3 320.864 3.335 20 30 DGEDHN CCCC[C@H](CC)COC[C@H](O)CN1CCC(C)(C#N)CC1 ZINC001253005205 1105873203 /nfs/dbraw/zinc/87/32/03/1105873203.db2.gz DMNQUCGPKSBPRQ-DLBZAZTESA-N 0 3 310.482 3.206 20 30 DGEDHN CCCC[C@H](CC)COC[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC001253005208 1105873650 /nfs/dbraw/zinc/87/36/50/1105873650.db2.gz DMNQUCGPKSBPRQ-IRXDYDNUSA-N 0 3 310.482 3.206 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2ccccc2C)C1 ZINC001101018263 1105876020 /nfs/dbraw/zinc/87/60/20/1105876020.db2.gz CWCVCFXCBKHYID-QQFBHYJXSA-N 0 3 320.864 3.335 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC[C@@H](c2noc(C)n2)C1 ZINC001253234032 1105906044 /nfs/dbraw/zinc/90/60/44/1105906044.db2.gz SJYOXXPWGQEHSW-SJORKVTESA-N 0 3 321.465 3.445 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@@H](CO)c1cccc(OC)c1 ZINC001253252233 1105912220 /nfs/dbraw/zinc/91/22/20/1105912220.db2.gz SSWOJNAUNGNWAJ-MJGOQNOKSA-N 0 3 321.461 3.206 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC3CCCC3)C[C@]2(C)C1 ZINC001101480514 1105921677 /nfs/dbraw/zinc/92/16/77/1105921677.db2.gz PDGXKJGNCJUGHY-QUCCMNQESA-N 0 3 316.489 3.151 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC001253518373 1105948915 /nfs/dbraw/zinc/94/89/15/1105948915.db2.gz ANEJKANWVBAYPB-UHFFFAOYSA-N 0 3 323.506 3.424 20 30 DGEDHN CC/C=C(/C)C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001101778102 1105976083 /nfs/dbraw/zinc/97/60/83/1105976083.db2.gz ZOLDEZGGWIWYQT-RZHLYWITSA-N 0 3 324.468 3.079 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001101996707 1106007399 /nfs/dbraw/zinc/00/73/99/1106007399.db2.gz CWNZGWZCEGLHJF-YRPJOXRESA-N 0 3 310.869 3.191 20 30 DGEDHN C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688814 1106096720 /nfs/dbraw/zinc/09/67/20/1106096720.db2.gz QFHHCGIWIPNHOI-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688814 1106096724 /nfs/dbraw/zinc/09/67/24/1106096724.db2.gz QFHHCGIWIPNHOI-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN CC(C)(C)OC(=O)Nc1cc(CN[C@H]2CC[C@H](C#N)C2)ccn1 ZINC001254638867 1106118958 /nfs/dbraw/zinc/11/89/58/1106118958.db2.gz QZFUXGIBEDMTCD-JSGCOSHPSA-N 0 3 316.405 3.210 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC001254645553 1106120405 /nfs/dbraw/zinc/12/04/05/1106120405.db2.gz NVKBGNUWTRIWAU-HXUWFJFHSA-N 0 3 324.424 3.438 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cncn2Cc2ccccc2Cl)C1 ZINC001254657295 1106124194 /nfs/dbraw/zinc/12/41/94/1106124194.db2.gz OKSDEJAGNVZVOK-DZGCQCFKSA-N 0 3 314.820 3.367 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254660949 1106126253 /nfs/dbraw/zinc/12/62/53/1106126253.db2.gz NMOBBEDVQFWNED-KFWWJZLASA-N 0 3 307.438 3.058 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc(-c4cccnc4)no3)CC2)C1 ZINC001254666059 1106127786 /nfs/dbraw/zinc/12/77/86/1106127786.db2.gz SWXNKGADLXUIQI-CZUORRHYSA-N 0 3 323.400 3.003 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3cccc(Cl)n3)CC2)C1 ZINC001254672486 1106131064 /nfs/dbraw/zinc/13/10/64/1106131064.db2.gz BVQIBQHBKFQSDG-OLZOCXBDSA-N 0 3 305.809 3.270 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CCC(NCCC#N)CC2)CC1 ZINC001254788151 1106142546 /nfs/dbraw/zinc/14/25/46/1106142546.db2.gz DYDMLDRAWSYVRB-UHFFFAOYSA-N 0 3 321.465 3.450 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001103040129 1106145273 /nfs/dbraw/zinc/14/52/73/1106145273.db2.gz HPDANDLESDLSQG-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN CC[C@@H](CC#N)NCCc1ccc(OCc2ccccn2)cc1 ZINC001255158678 1106193911 /nfs/dbraw/zinc/19/39/11/1106193911.db2.gz LVTAVCHCENWHTD-KRWDZBQOSA-N 0 3 309.413 3.485 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC001255162625 1106195466 /nfs/dbraw/zinc/19/54/66/1106195466.db2.gz UWVZPESLTYDITQ-KKUMJFAQSA-N 0 3 317.408 3.149 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC001255162626 1106195501 /nfs/dbraw/zinc/19/55/01/1106195501.db2.gz UWVZPESLTYDITQ-RBSFLKMASA-N 0 3 317.408 3.149 20 30 DGEDHN CC[C@H](CC#N)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001255169742 1106198727 /nfs/dbraw/zinc/19/87/27/1106198727.db2.gz JUAZFWPNGVWUBV-QRVBRYPASA-N 0 3 313.445 3.393 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCC(C)(C)CC1 ZINC001255307854 1106220265 /nfs/dbraw/zinc/22/02/65/1106220265.db2.gz UHBJYLOFABMHGM-KRWDZBQOSA-N 0 3 317.477 3.491 20 30 DGEDHN C[C@@H](Cc1ccc(F)cc1)N1CCN(c2ccccc2C#N)CC1 ZINC001255867592 1106332881 /nfs/dbraw/zinc/33/28/81/1106332881.db2.gz BQPAJZDFLUZZHD-INIZCTEOSA-N 0 3 323.415 3.451 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H](C)Cc2ccc(F)cc2)C1 ZINC001255880801 1106337984 /nfs/dbraw/zinc/33/79/84/1106337984.db2.gz WAXNBZYDLJTDCI-RHSMWYFYSA-N 0 3 320.408 3.133 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)c(F)c(C)c1)C(C)C ZINC001278930105 1106406981 /nfs/dbraw/zinc/40/69/81/1106406981.db2.gz VKGLTYKUWDJINN-UHFFFAOYSA-N 0 3 318.436 3.248 20 30 DGEDHN C[C@H](Cc1ccccn1)N1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001256421168 1106419037 /nfs/dbraw/zinc/41/90/37/1106419037.db2.gz IHITZXRCBUAPDT-APWZRJJASA-N 0 3 321.424 3.428 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1CC ZINC001278969561 1106498736 /nfs/dbraw/zinc/49/87/36/1106498736.db2.gz MLYJNUFQABWBJT-IBGZPJMESA-N 0 3 324.468 3.069 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2C1CCC(C#N)CC1 ZINC001256963298 1106517130 /nfs/dbraw/zinc/51/71/30/1106517130.db2.gz FIUSJJSEIKBMND-CKUJCDMFSA-N 0 3 319.449 3.152 20 30 DGEDHN CC[C@H]1CN(C2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001256969474 1106517658 /nfs/dbraw/zinc/51/76/58/1106517658.db2.gz JRMSANLMIULCQV-PCKAHOCUSA-N 0 3 321.465 3.400 20 30 DGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C1CCC(C#N)CC1 ZINC001256973734 1106519074 /nfs/dbraw/zinc/51/90/74/1106519074.db2.gz WQDOADVFZHKZIR-WXLSXGNJSA-N 0 3 321.465 3.398 20 30 DGEDHN CC(C)[C@@H]1C[C@H](N2CC(CC#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257187898 1106550176 /nfs/dbraw/zinc/55/01/76/1106550176.db2.gz XRLKCDMPXVEASL-CVEARBPZSA-N 0 3 321.465 3.256 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001279025098 1106609235 /nfs/dbraw/zinc/60/92/35/1106609235.db2.gz MLFIDNIHVJIVLU-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001279033793 1106620544 /nfs/dbraw/zinc/62/05/44/1106620544.db2.gz FESKUNMJWAVRMY-HOTGVXAUSA-N 0 3 306.425 3.046 20 30 DGEDHN CCCCCCC[C@H](C)NCc1ccc(S(C)(=O)=O)cn1 ZINC001258042807 1106663717 /nfs/dbraw/zinc/66/37/17/1106663717.db2.gz ZVJWJCMRZHHZED-AWEZNQCLSA-N 0 3 312.479 3.324 20 30 DGEDHN CCCCCCC[C@H](C)N1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001258047704 1106663923 /nfs/dbraw/zinc/66/39/23/1106663923.db2.gz NPKCFCBLAXLWLO-KRWDZBQOSA-N 0 3 324.509 3.449 20 30 DGEDHN CCCCCCCCC[C@H](C)N(C)CC(=O)N1CCOCC1 ZINC001258229979 1106702517 /nfs/dbraw/zinc/70/25/17/1106702517.db2.gz WPWPCJFZEALGGD-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001316939378 1106790673 /nfs/dbraw/zinc/79/06/73/1106790673.db2.gz IBOIGMVWVIQVCI-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC001320038870 1106808939 /nfs/dbraw/zinc/80/89/39/1106808939.db2.gz WHIXUPLFYLIGFV-KRWDZBQOSA-N 0 3 303.402 3.029 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001320041789 1106814278 /nfs/dbraw/zinc/81/42/78/1106814278.db2.gz JMPOXHRKOFWEQP-HNNXBMFYSA-N 0 3 306.425 3.286 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)CC1(C)C ZINC001258551965 1106820652 /nfs/dbraw/zinc/82/06/52/1106820652.db2.gz OSLCPMWDLBDBPI-CYBMUJFWSA-N 0 3 307.438 3.058 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccsc1C(F)(F)F ZINC001320079270 1106848807 /nfs/dbraw/zinc/84/88/07/1106848807.db2.gz RRUSMISLIYVSKK-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC001316992550 1106872100 /nfs/dbraw/zinc/87/21/00/1106872100.db2.gz RBJZGKCOBMHABY-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001317003104 1106884119 /nfs/dbraw/zinc/88/41/19/1106884119.db2.gz XIJRZSBNBUKFSL-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC001320209090 1106929102 /nfs/dbraw/zinc/92/91/02/1106929102.db2.gz QEKUPBARXDDAOH-INIZCTEOSA-N 0 3 306.425 3.449 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)OC ZINC001317048055 1106949215 /nfs/dbraw/zinc/94/92/15/1106949215.db2.gz CRKYXQNAILBTTI-BDXSIMOUSA-N 0 3 322.493 3.077 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001317050970 1106951021 /nfs/dbraw/zinc/95/10/21/1106951021.db2.gz XTSTUCBVFWDIFN-BHNDVYRESA-N 0 3 316.489 3.453 20 30 DGEDHN C=C[C@H](COC)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC001320297970 1106951519 /nfs/dbraw/zinc/95/15/19/1106951519.db2.gz CAGAYIRJGQFYIL-LJQANCHMSA-N 0 3 322.408 3.428 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001320324995 1106960824 /nfs/dbraw/zinc/96/08/24/1106960824.db2.gz LLEAYCWOKHXROI-OWQGQXMQSA-N 0 3 319.424 3.309 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001317086718 1106980669 /nfs/dbraw/zinc/98/06/69/1106980669.db2.gz OPBJUVNAFLGMCK-SRVKXCTJSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCNCc1nc(C(C)(C)C)cs1 ZINC001320361016 1106977866 /nfs/dbraw/zinc/97/78/66/1106977866.db2.gz DQXNCZJEYGMFGS-ZDUSSCGKSA-N 0 3 323.506 3.391 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001317088374 1106984072 /nfs/dbraw/zinc/98/40/72/1106984072.db2.gz QWYWLVBKLYOVOF-MXVIHJGJSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN(C[C@@H](F)CC)C2)CCC1 ZINC001317135765 1107038751 /nfs/dbraw/zinc/03/87/51/1107038751.db2.gz QXSUQUFBWKSTDS-HOTGVXAUSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001317156251 1107060416 /nfs/dbraw/zinc/06/04/16/1107060416.db2.gz SWMKMTQXKINIHJ-CQSZACIVSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2ccccc2o1 ZINC001320627192 1107078076 /nfs/dbraw/zinc/07/80/76/1107078076.db2.gz KRLGIWUSJQEGJA-GFCCVEGCSA-N 0 3 306.793 3.283 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccccc1Cl ZINC001317180558 1107101791 /nfs/dbraw/zinc/10/17/91/1107101791.db2.gz LHWJYAQGARLKIG-INIZCTEOSA-N 0 3 320.864 3.429 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC(C)C ZINC001317210232 1107131051 /nfs/dbraw/zinc/13/10/51/1107131051.db2.gz WKKJKRZWEPBGOT-ROUUACIJSA-N 0 3 304.478 3.291 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001317259526 1107181060 /nfs/dbraw/zinc/18/10/60/1107181060.db2.gz XVNIHLNQTILRQJ-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)NCc2cc3ccccc3o2)C1 ZINC001317262857 1107183684 /nfs/dbraw/zinc/18/36/84/1107183684.db2.gz AJWZCQXUEVOHKX-AWEZNQCLSA-N 0 3 312.413 3.383 20 30 DGEDHN CC(C)CCCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001317272211 1107195738 /nfs/dbraw/zinc/19/57/38/1107195738.db2.gz SWEKFRMDERZDTG-CYBMUJFWSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2ccc(F)c(F)c2)C1 ZINC001321235607 1107296105 /nfs/dbraw/zinc/29/61/05/1107296105.db2.gz JCWYTZQADQCAMU-ONEGZZNKSA-N 0 3 320.383 3.083 20 30 DGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC001321242163 1107301339 /nfs/dbraw/zinc/30/13/39/1107301339.db2.gz UWCWCPUOBILERD-JQWIXIFHSA-N 0 3 301.333 3.148 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2ccccc2c1 ZINC001317409604 1107329931 /nfs/dbraw/zinc/32/99/31/1107329931.db2.gz RFHJEHWEPFERFV-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)Cc1ccc(C2CC2)cc1 ZINC001317447141 1107387948 /nfs/dbraw/zinc/38/79/48/1107387948.db2.gz UFLATBBPZBMNCY-UHFFFAOYSA-N 0 3 300.446 3.468 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001317485022 1107440779 /nfs/dbraw/zinc/44/07/79/1107440779.db2.gz OYVKBMWMVHTNIQ-ZWKOTPCHSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1CCc1ccccc1F ZINC001317506426 1107466262 /nfs/dbraw/zinc/46/62/62/1107466262.db2.gz UFJYXTLQTBLLLA-INIZCTEOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001317516730 1107480913 /nfs/dbraw/zinc/48/09/13/1107480913.db2.gz QDKMQNSDJDYLLW-FUHWJXTLSA-N 0 3 300.446 3.022 20 30 DGEDHN CCC[C@](C)(CC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001322032777 1107487999 /nfs/dbraw/zinc/48/79/99/1107487999.db2.gz LGMNGPBWSCDMDC-PXNSSMCTSA-N 0 3 314.473 3.349 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CC1CCCC1 ZINC001322108576 1107516076 /nfs/dbraw/zinc/51/60/76/1107516076.db2.gz IEFUGSLKIDKCNV-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)c1ccc(CN(C)C[C@@H](C)NC(=O)C#CC2CC2)cc1 ZINC001322159036 1107547196 /nfs/dbraw/zinc/54/71/96/1107547196.db2.gz YFAIQTWQAPMMOE-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1coc2cc(C)c(C)cc21 ZINC001322207546 1107570006 /nfs/dbraw/zinc/57/00/06/1107570006.db2.gz AMNOVKYWSFGXMT-AWEZNQCLSA-N 0 3 300.402 3.286 20 30 DGEDHN CCC[C@](C)(CC)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001317645023 1107578839 /nfs/dbraw/zinc/57/88/39/1107578839.db2.gz DTAMYJDNIJHRKS-IBGZPJMESA-N 0 3 315.461 3.323 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CCCC12CC2)c1ccccc1 ZINC001317721891 1107622998 /nfs/dbraw/zinc/62/29/98/1107622998.db2.gz ZYQCXTKNSATBOO-ZWKOTPCHSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)Oc1ccccc1)c1ccccc1 ZINC001317726757 1107625452 /nfs/dbraw/zinc/62/54/52/1107625452.db2.gz BUSIXLRBWRQLEB-QFBILLFUSA-N 0 3 324.424 3.087 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001317771327 1107655569 /nfs/dbraw/zinc/65/55/69/1107655569.db2.gz YUVALCHAHIDCIS-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN Cc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1N1CCN(C)CC1 ZINC001262353905 1107685417 /nfs/dbraw/zinc/68/54/17/1107685417.db2.gz QKVZIZKZZDUFOT-INIZCTEOSA-N 0 3 314.477 3.487 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC001317950040 1107763329 /nfs/dbraw/zinc/76/33/29/1107763329.db2.gz SZWJPWCLWNNRHZ-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@H](CC)C1 ZINC001323128965 1107845652 /nfs/dbraw/zinc/84/56/52/1107845652.db2.gz IRFXBFWJWBOZID-IPUYDCKKSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnc2c1 ZINC001318220373 1107905180 /nfs/dbraw/zinc/90/51/80/1107905180.db2.gz VKCMJNZYEOCPJY-ROUUACIJSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001323259019 1107907208 /nfs/dbraw/zinc/90/72/08/1107907208.db2.gz PAYZIEHSWQPSBC-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC001263079025 1107933872 /nfs/dbraw/zinc/93/38/72/1107933872.db2.gz CRAVYVZTLYNUTR-OLZOCXBDSA-N 0 3 317.458 3.027 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(CCC)Cc1ccc(OC)cc1 ZINC001263166663 1107965578 /nfs/dbraw/zinc/96/55/78/1107965578.db2.gz NUVCMBZWFSYCCF-QGZVFWFLSA-N 0 3 304.434 3.117 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@@H](CC)c2ccc(F)cc2)CC1 ZINC001323434740 1107972698 /nfs/dbraw/zinc/97/26/98/1107972698.db2.gz DEMQPUIZHMJMGO-KRWDZBQOSA-N 0 3 316.420 3.319 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001318415022 1107988849 /nfs/dbraw/zinc/98/88/49/1107988849.db2.gz HPAXDBXTEANXGQ-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#Cc1ccc(C(=O)NCC2(NCc3ccc(C)cc3)CC2)cc1 ZINC001323508807 1107993302 /nfs/dbraw/zinc/99/33/02/1107993302.db2.gz PKIGMVCMZJNHAC-UHFFFAOYSA-N 0 3 318.420 3.029 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001318427377 1107997589 /nfs/dbraw/zinc/99/75/89/1107997589.db2.gz DYIXMMLVPKHAOC-NVXWUHKLSA-N 0 3 318.436 3.113 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001263290768 1107999984 /nfs/dbraw/zinc/99/99/84/1107999984.db2.gz BPUNKXMLJKMGLC-SMDDNHRTSA-N 0 3 322.355 3.084 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1scnc1C ZINC001318571004 1108102803 /nfs/dbraw/zinc/10/28/03/1108102803.db2.gz UBBJKFPSMMWIBY-BBRMVZONSA-N 0 3 309.479 3.038 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](CC)CCCC)C2)C1 ZINC001323858343 1108105472 /nfs/dbraw/zinc/10/54/72/1108105472.db2.gz OVJRGGBCOWDPLD-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(CCC)CCC)C2)C1 ZINC001323859213 1108107338 /nfs/dbraw/zinc/10/73/38/1108107338.db2.gz HWLGWMJVTUSZIU-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C[C@@H](COC)NCc1cccc(OCc2ccccc2C#N)c1 ZINC001324014775 1108148081 /nfs/dbraw/zinc/14/80/81/1108148081.db2.gz IJOVWPOZFGIUCP-IBGZPJMESA-N 0 3 322.408 3.428 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccccn2)CCCC[C@@H]1C ZINC001318745552 1108180248 /nfs/dbraw/zinc/18/02/48/1108180248.db2.gz YXQWMCNEFIXWCH-GUYCJALGSA-N 0 3 321.852 3.102 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001263808639 1108216420 /nfs/dbraw/zinc/21/64/20/1108216420.db2.gz BOOMJGJMJINYKP-QGZVFWFLSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001263816529 1108225277 /nfs/dbraw/zinc/22/52/77/1108225277.db2.gz DJPLTEJXEDXFNC-KBPBESRZSA-N 0 3 320.399 3.464 20 30 DGEDHN CC/C=C/CCN1CC[C@H]1CN(C)C(=O)CC#Cc1ccccc1 ZINC001263821576 1108232705 /nfs/dbraw/zinc/23/27/05/1108232705.db2.gz VAFAOXVHGZFSFY-SGSXCFNPSA-N 0 3 324.468 3.317 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1=CCCC1)c1ccc2ccccc2c1 ZINC001324440292 1108289539 /nfs/dbraw/zinc/28/95/39/1108289539.db2.gz COAYERJABIIJFO-FQEVSTJZSA-N 0 3 318.420 3.330 20 30 DGEDHN C#CCNC[C@@H](NC(=O)CC1CC1)c1ccc2ccccc2c1 ZINC001324442070 1108290013 /nfs/dbraw/zinc/29/00/13/1108290013.db2.gz VRZCJASGVYATRN-LJQANCHMSA-N 0 3 306.409 3.020 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](F)c2ccccc2)C1 ZINC001263921079 1108297333 /nfs/dbraw/zinc/29/73/33/1108297333.db2.gz GGUUXFPXWNQEGC-IMJJTQAJSA-N 0 3 324.827 3.324 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(C[C@@H](F)CC)CC2 ZINC001263935289 1108302959 /nfs/dbraw/zinc/30/29/59/1108302959.db2.gz YZOCCUNCLDPXGZ-HOTGVXAUSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)[C@H]1C ZINC001264167836 1108411329 /nfs/dbraw/zinc/41/13/29/1108411329.db2.gz CFMZLCNWRSLRJU-UPJWGTAASA-N 0 3 306.372 3.120 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2F)[C@H]1C ZINC001264160391 1108405442 /nfs/dbraw/zinc/40/54/42/1108405442.db2.gz PDNKBHKZBPDHRQ-RKVPGOIHSA-N 0 3 318.436 3.159 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C)(C)c2ccccc2)[C@H]1C ZINC001264175398 1108413648 /nfs/dbraw/zinc/41/36/48/1108413648.db2.gz JHIZARJGYIBPSW-WBVHZDCISA-N 0 3 300.446 3.119 20 30 DGEDHN C[C@H](C#N)C(=O)NCC1(NCc2ccccc2Cl)CCCC1 ZINC001319341777 1108421255 /nfs/dbraw/zinc/42/12/55/1108421255.db2.gz VSPPKIFOBCEMNN-CYBMUJFWSA-N 0 3 319.836 3.018 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001264372222 1108483194 /nfs/dbraw/zinc/48/31/94/1108483194.db2.gz AHCXEIMDONYJFS-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001264374516 1108486704 /nfs/dbraw/zinc/48/67/04/1108486704.db2.gz IVVLCXYMTFRTPO-OTWHNJEPSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001264378593 1108491545 /nfs/dbraw/zinc/49/15/45/1108491545.db2.gz MXRTUPYTORYQRM-GFCCVEGCSA-N 0 3 312.360 3.330 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001319514228 1108501613 /nfs/dbraw/zinc/50/16/13/1108501613.db2.gz JDVVPFONTGVVRU-KGLIPLIRSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCc2cc(C)ns2)CC1 ZINC001319525732 1108506610 /nfs/dbraw/zinc/50/66/10/1108506610.db2.gz QGNWIAAJXHVKQU-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001264400086 1108507942 /nfs/dbraw/zinc/50/79/42/1108507942.db2.gz UUNVLYYESRTEJP-KFWWJZLASA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001324978944 1108549118 /nfs/dbraw/zinc/54/91/18/1108549118.db2.gz WLKJABBVNLVZQT-HNNXBMFYSA-N 0 3 302.409 3.072 20 30 DGEDHN C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC)C1 ZINC001264595296 1108586344 /nfs/dbraw/zinc/58/63/44/1108586344.db2.gz ZSGUIRQZIYYOSI-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001325338077 1108626838 /nfs/dbraw/zinc/62/68/38/1108626838.db2.gz AAQGPKLRFNSMKF-AGBALKNHSA-N 0 3 322.880 3.476 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1CC ZINC001325367480 1108636846 /nfs/dbraw/zinc/63/68/46/1108636846.db2.gz VLMQBFYPDIRSKY-QRQLOZEOSA-N 0 3 312.457 3.065 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(F)c1F ZINC001264743197 1108643717 /nfs/dbraw/zinc/64/37/17/1108643717.db2.gz WMGQRRYTQORXKM-ZDUSSCGKSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cnoc1C ZINC001319861254 1108667210 /nfs/dbraw/zinc/66/72/10/1108667210.db2.gz MUJRFDSVTPHYFQ-PBHICJAKSA-N 0 3 319.449 3.056 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](CNC(=O)[C@H](C)C#N)C(C)C ZINC001319907227 1108689915 /nfs/dbraw/zinc/68/99/15/1108689915.db2.gz RIOZEIDHQAKZFC-CZUORRHYSA-N 0 3 321.852 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccn1C(C)C)C(C)C ZINC001319955835 1108714194 /nfs/dbraw/zinc/71/41/94/1108714194.db2.gz BGMKCKDPJGBKFT-CQSZACIVSA-N 0 3 311.857 3.166 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(F)cc(F)c1)C(C)C ZINC001319957294 1108715303 /nfs/dbraw/zinc/71/53/03/1108715303.db2.gz IJCMDGDTYWGQQK-CQSZACIVSA-N 0 3 316.779 3.061 20 30 DGEDHN CCN(CC#Cc1ccc(F)cc1)CCCNC(=O)C(C)(C)C ZINC001265143251 1108750109 /nfs/dbraw/zinc/75/01/09/1108750109.db2.gz BUZXZXWIFJBFNI-UHFFFAOYSA-N 0 3 318.436 3.052 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(CC)c(CC)c1)C1CC1 ZINC001265186012 1108763087 /nfs/dbraw/zinc/76/30/87/1108763087.db2.gz DGJRLYBOALFTCT-UHFFFAOYSA-N 0 3 312.457 3.029 20 30 DGEDHN C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001265188144 1108764440 /nfs/dbraw/zinc/76/44/40/1108764440.db2.gz MQJBFGMMERAMFK-OAHLLOKOSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001265188143 1108764508 /nfs/dbraw/zinc/76/45/08/1108764508.db2.gz MQJBFGMMERAMFK-HNNXBMFYSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001265276533 1108801328 /nfs/dbraw/zinc/80/13/28/1108801328.db2.gz DWZUKHNOYANBSK-INIZCTEOSA-N 0 3 304.434 3.447 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001265280424 1108803038 /nfs/dbraw/zinc/80/30/38/1108803038.db2.gz BDZPYNOUXXCKAU-LJQANCHMSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001265310863 1108821636 /nfs/dbraw/zinc/82/16/36/1108821636.db2.gz WJTACMIAZXMBMI-HNNXBMFYSA-N 0 3 319.449 3.349 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)CCCCC)CC1 ZINC001265335905 1108831623 /nfs/dbraw/zinc/83/16/23/1108831623.db2.gz KSDXIXZOVDCDQC-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](OCC)C2CC2)CC1 ZINC001265339070 1108833671 /nfs/dbraw/zinc/83/36/71/1108833671.db2.gz VTUNERGLHHOLFQ-SFHVURJKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccc(OC)o2)CC1 ZINC001265340697 1108834401 /nfs/dbraw/zinc/83/44/01/1108834401.db2.gz BCZZSAZPVKFETL-UHFFFAOYSA-N 0 3 320.433 3.181 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1cc(Cl)ccc1F)C1CC1 ZINC001265348243 1108838644 /nfs/dbraw/zinc/83/86/44/1108838644.db2.gz OLFYJFYEKJZSEL-MRXNPFEDSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@@H]1C ZINC001265406791 1108865340 /nfs/dbraw/zinc/86/53/40/1108865340.db2.gz GFGMGHZKMKYBSJ-XLAORIBOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001265411549 1108866302 /nfs/dbraw/zinc/86/63/02/1108866302.db2.gz NPUGWCRWASCUSW-TVFCKZIOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cccc(F)c2Cl)C1 ZINC001265468762 1108882858 /nfs/dbraw/zinc/88/28/58/1108882858.db2.gz MYPODIZKPLVJGO-JOCQHMNTSA-N 0 3 310.800 3.182 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001265505980 1108892815 /nfs/dbraw/zinc/89/28/15/1108892815.db2.gz IJRNHQKRJOBRJS-DAXOMENPSA-N 0 3 306.837 3.170 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001265538771 1108903992 /nfs/dbraw/zinc/90/39/92/1108903992.db2.gz LPBPUXPBZIEJHD-GASCZTMLSA-N 0 3 318.848 3.126 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001265577197 1108917641 /nfs/dbraw/zinc/91/76/41/1108917641.db2.gz DEKLFDJAZHCAQS-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001265812944 1109011729 /nfs/dbraw/zinc/01/17/29/1109011729.db2.gz HPUKJFSPNMKQJN-CABCVRRESA-N 0 3 306.425 3.331 20 30 DGEDHN CC[C@H](C)CC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001265834119 1109020721 /nfs/dbraw/zinc/02/07/21/1109020721.db2.gz DOBFWMCANKKTHI-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2scnc2C)CCCC1 ZINC001265875957 1109034181 /nfs/dbraw/zinc/03/41/81/1109034181.db2.gz OBUWWQGOBPWENC-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN CC[C@H](F)CN(CC)CCCNC(=O)CC#Cc1ccccc1 ZINC001266112591 1109095498 /nfs/dbraw/zinc/09/54/98/1109095498.db2.gz UYXVARQDWDBVRP-SFHVURJKSA-N 0 3 318.436 3.005 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCCc2ccccc21)C1CC1 ZINC001266142612 1109106705 /nfs/dbraw/zinc/10/67/05/1109106705.db2.gz CETDCVVMPPBTLN-HXUWFJFHSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1)C1CC1 ZINC001266149939 1109108608 /nfs/dbraw/zinc/10/86/08/1109108608.db2.gz MFWRREABQAQBSD-RTBURBONSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)cc(OC)c1C ZINC001266158702 1109110609 /nfs/dbraw/zinc/11/06/09/1109110609.db2.gz UNIXOWKQIMCPMO-ZDUSSCGKSA-N 0 3 324.852 3.163 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc2sccc2c1)C1CC1 ZINC001266165828 1109112499 /nfs/dbraw/zinc/11/24/99/1109112499.db2.gz IDFKXGRUMIOLED-UHFFFAOYSA-N 0 3 312.438 3.119 20 30 DGEDHN CC#CCN(CCCNC(=O)C/C=C\c1ccc(C)cc1)C1CC1 ZINC001266176686 1109116146 /nfs/dbraw/zinc/11/61/46/1109116146.db2.gz XWZSMBIJTARRNZ-ALCCZGGFSA-N 0 3 324.468 3.392 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC001266224956 1109131717 /nfs/dbraw/zinc/13/17/17/1109131717.db2.gz HDTWUAXBBGRSRM-OAHLLOKOSA-N 0 3 322.474 3.055 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccoc1CC ZINC001279304292 1109146136 /nfs/dbraw/zinc/14/61/36/1109146136.db2.gz BJSXVTKVAXJURW-UHFFFAOYSA-N 0 3 324.424 3.097 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CCC)CC3CCCC3)C[C@@H]2C1 ZINC001279395999 1109150526 /nfs/dbraw/zinc/15/05/26/1109150526.db2.gz PSOGJALPSFGRPN-GBESFXJTSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001280029985 1109171874 /nfs/dbraw/zinc/17/18/74/1109171874.db2.gz DSSCXJNZKNFJIO-CYBMUJFWSA-N 0 3 312.866 3.251 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H](C)CSC ZINC001280314717 1109184614 /nfs/dbraw/zinc/18/46/14/1109184614.db2.gz AYXHWBHVHDXBBB-HNNXBMFYSA-N 0 3 320.502 3.310 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001280324681 1109185674 /nfs/dbraw/zinc/18/56/74/1109185674.db2.gz KDFUBLRNEYURGN-CQSZACIVSA-N 0 3 322.399 3.356 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccoc1CC ZINC001280325631 1109186242 /nfs/dbraw/zinc/18/62/42/1109186242.db2.gz WYRLZWCFAVHRBV-UHFFFAOYSA-N 0 3 324.424 3.227 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CCC3CC3)cccc2C1 ZINC001280424538 1109201373 /nfs/dbraw/zinc/20/13/73/1109201373.db2.gz ORFQUPZWKGNIPB-UHFFFAOYSA-N 0 3 312.457 3.427 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2sc(C)nc2C)CCC1 ZINC001280483131 1109210864 /nfs/dbraw/zinc/21/08/64/1109210864.db2.gz MZRNWIMYFJQIIA-UHFFFAOYSA-N 0 3 321.490 3.245 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](CC2CCCCC2)C(C)C)CCC1 ZINC001280524038 1109217832 /nfs/dbraw/zinc/21/78/32/1109217832.db2.gz YSODNVWNPZKZLZ-GOSISDBHSA-N 0 3 318.505 3.491 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCCC1CCCC1)C2 ZINC001281098690 1109301396 /nfs/dbraw/zinc/30/13/96/1109301396.db2.gz FBMNIACRWXKKTN-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3ccncc3)cc2C1 ZINC001281284610 1109321618 /nfs/dbraw/zinc/32/16/18/1109321618.db2.gz FOOBGHBQWLDTQI-UHFFFAOYSA-N 0 3 321.424 3.293 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)Cc3ccccc3)cc2C1 ZINC001281293305 1109324450 /nfs/dbraw/zinc/32/44/50/1109324450.db2.gz ORWBHCHWTRDRJK-UHFFFAOYSA-N 0 3 320.436 3.437 20 30 DGEDHN CCC(=CC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1)CC ZINC001281391812 1109344363 /nfs/dbraw/zinc/34/43/63/1109344363.db2.gz VIXZYMWKOSQGMU-FXAWDEMLSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)[C@@H](C)C1 ZINC001281409635 1109347414 /nfs/dbraw/zinc/34/74/14/1109347414.db2.gz UTAGJFZDPAZJNN-ZFWWWQNUSA-N 0 3 321.852 3.028 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001281431197 1109352070 /nfs/dbraw/zinc/35/20/70/1109352070.db2.gz WSRYONFDWWWLEF-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)Cc1ccccc1C ZINC001281768083 1109405670 /nfs/dbraw/zinc/40/56/70/1109405670.db2.gz FVNNYJFKRPBAOY-ZBFHGGJFSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC001281782213 1109407960 /nfs/dbraw/zinc/40/79/60/1109407960.db2.gz AJDXRJYNKAVCSN-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1ccccc1C ZINC001281968508 1109424500 /nfs/dbraw/zinc/42/45/00/1109424500.db2.gz NGPQAWUXIUZCOX-IAGOWNOFSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCc1sccc1C ZINC001281970384 1109425753 /nfs/dbraw/zinc/42/57/53/1109425753.db2.gz VEFVKKNLVZBHIJ-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCCCC(=O)N1CCC([C@H]2CCCN(CCF)C2)CC1 ZINC001281981012 1109427043 /nfs/dbraw/zinc/42/70/43/1109427043.db2.gz OZTVMJCHGORIER-KRWDZBQOSA-N 0 3 310.457 3.263 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cnc(C)s1 ZINC001282195535 1109467315 /nfs/dbraw/zinc/46/73/15/1109467315.db2.gz ZQNNGGOKHDQVTH-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282445198 1109512105 /nfs/dbraw/zinc/51/21/05/1109512105.db2.gz ZSCDHTCZNZYHQB-QOBZYLRHSA-N 0 3 311.429 3.017 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)Cc1c(F)cccc1F ZINC001282675092 1109549289 /nfs/dbraw/zinc/54/92/89/1109549289.db2.gz JTICIEQLOWSPRG-CQSZACIVSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C(F)F)CCCC2)C(C)(C)C1 ZINC001282822175 1109570634 /nfs/dbraw/zinc/57/06/34/1109570634.db2.gz LMKHPJCTAPDBGY-CYBMUJFWSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCOCCC(C)C)CC1(C)C ZINC001282824919 1109572197 /nfs/dbraw/zinc/57/21/97/1109572197.db2.gz WDBHPKCWIZMGHV-MRXNPFEDSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)C(C)(C)C1 ZINC001282833582 1109572939 /nfs/dbraw/zinc/57/29/39/1109572939.db2.gz ORALPYQUDFRORE-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C=C(/C)CC)C[C@H]2C1 ZINC001282945449 1109582918 /nfs/dbraw/zinc/58/29/18/1109582918.db2.gz DWPVIIDEYDFWOV-KJEAVSRTSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001283079323 1109592486 /nfs/dbraw/zinc/59/24/86/1109592486.db2.gz ZIFJYPZUXICHLW-HOMQSWHASA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2nc(C)sc2C)C1 ZINC001283080366 1109592717 /nfs/dbraw/zinc/59/27/17/1109592717.db2.gz MICGZXAFVOPRFZ-SHTZXODSSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(Cl)o1 ZINC001283126748 1109597074 /nfs/dbraw/zinc/59/70/74/1109597074.db2.gz NHFKMAXOOGHAHP-SNVBAGLBSA-N 0 3 305.205 3.174 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001283617540 1109661177 /nfs/dbraw/zinc/66/11/77/1109661177.db2.gz AWVCJIIJHIKLKQ-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCOc2ccccc2)[C@@H]1C ZINC001284150249 1109749009 /nfs/dbraw/zinc/74/90/09/1109749009.db2.gz AFJNRVZADCDXFA-WMZOPIPTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cc(F)ccc2F)[C@@H]1C ZINC001284148642 1109749051 /nfs/dbraw/zinc/74/90/51/1109749051.db2.gz MWQQTNZEHWYUQK-SUMWQHHRSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001284700192 1109843934 /nfs/dbraw/zinc/84/39/34/1109843934.db2.gz PUZYJYZEIJYXGN-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001284918304 1109880155 /nfs/dbraw/zinc/88/01/55/1109880155.db2.gz WXPNFHGYGQMIPG-UHFFFAOYSA-N 0 3 302.462 3.469 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC001284960102 1109885799 /nfs/dbraw/zinc/88/57/99/1109885799.db2.gz PQJFXHDKAHEUJK-UHFFFAOYSA-N 0 3 312.457 3.089 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cc(C)oc2C)c(F)c1 ZINC001284993659 1109889508 /nfs/dbraw/zinc/88/95/08/1109889508.db2.gz FHDLWUGYDMSFNP-UHFFFAOYSA-N 0 3 316.376 3.241 20 30 DGEDHN C=CC[C@H](C(=O)NCCN(C)CC=C(C)C)c1ccccc1 ZINC001317471577 1111303609 /nfs/dbraw/zinc/30/36/09/1111303609.db2.gz KQHWJUXBTISDOE-SFHVURJKSA-N 0 3 300.446 3.361 20 30 DGEDHN CC(C)C[C@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001307673986 1111326664 /nfs/dbraw/zinc/32/66/64/1111326664.db2.gz CAIJMOIOIWTPMQ-MAUKXSAKSA-N 0 3 303.425 3.443 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001307872024 1111349560 /nfs/dbraw/zinc/34/95/60/1111349560.db2.gz JSSNLSKGOXHMBX-WMLDXEAASA-N 0 3 316.832 3.181 20 30 DGEDHN CC(C)C[C@@H]1CN(C)CCN1Cc1ccc(Cl)cc1C#N ZINC001308101276 1111377687 /nfs/dbraw/zinc/37/76/87/1111377687.db2.gz WMKMPQGXDXLDGJ-QGZVFWFLSA-N 0 3 305.853 3.374 20 30 DGEDHN Cc1csc(N2CCC(NCC3(C#N)CCCCC3)CC2)n1 ZINC001308467170 1111432225 /nfs/dbraw/zinc/43/22/25/1111432225.db2.gz WVNDBTRLGWJPCP-UHFFFAOYSA-N 0 3 318.490 3.484 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001308867346 1111486204 /nfs/dbraw/zinc/48/62/04/1111486204.db2.gz BDUCPXNJUSWFMT-MAUKXSAKSA-N 0 3 313.441 3.468 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC001317494252 1111568490 /nfs/dbraw/zinc/56/84/90/1111568490.db2.gz CEHSPWQFMXVRKX-KRWDZBQOSA-N 0 3 311.429 3.215 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC[C@H]2CCCCN2C)CCCC1(C)C ZINC001313377139 1111712904 /nfs/dbraw/zinc/71/29/04/1111712904.db2.gz WHXSMNPWGXGJTG-CVEARBPZSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccsc2)[C@H]1C ZINC001316785581 1111765986 /nfs/dbraw/zinc/76/59/86/1111765986.db2.gz BVPBRBDOZXWPSA-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(F)c1C ZINC001316802863 1111770626 /nfs/dbraw/zinc/77/06/26/1111770626.db2.gz RFYQFQHHJACTAX-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN CCC(CC)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001316883483 1111791090 /nfs/dbraw/zinc/79/10/90/1111791090.db2.gz GAFDRDVJAOHHKB-UHFFFAOYSA-N 0 3 314.473 3.303 20 30 DGEDHN C#CC[C@H](CCOC)NCc1ccc(C(F)(F)F)nc1Cl ZINC001621463957 1193846258 /nfs/dbraw/zinc/84/62/58/1193846258.db2.gz PFHYDLIHBYWXTD-LLVKDONJSA-N 0 3 320.742 3.272 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C2CC2)c1C ZINC000076553211 185022577 /nfs/dbraw/zinc/02/25/77/185022577.db2.gz WDLWCPZTHJCRIM-INIZCTEOSA-N 0 3 313.445 3.280 20 30 DGEDHN C[C@H](CN1CCCCC1)Nc1ncc(Br)cc1C#N ZINC000311618868 231119973 /nfs/dbraw/zinc/11/99/73/231119973.db2.gz LJHKOTUUMJHJSX-LLVKDONJSA-N 0 3 323.238 3.002 20 30 DGEDHN N#Cc1csc(CN[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000309849033 231106530 /nfs/dbraw/zinc/10/65/30/231106530.db2.gz WOBZFAUPAFDAEF-KRWDZBQOSA-N 0 3 311.454 3.374 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000083406325 185222299 /nfs/dbraw/zinc/22/22/99/185222299.db2.gz FUAOKHMFZZZYFX-HNAYVOBHSA-N 0 3 314.429 3.279 20 30 DGEDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1cccc(C#N)c1C ZINC000415319570 529610780 /nfs/dbraw/zinc/61/07/80/529610780.db2.gz TVDLFFTVEJLRBB-KRWDZBQOSA-N 0 3 322.412 3.251 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000341214212 529664129 /nfs/dbraw/zinc/66/41/29/529664129.db2.gz BUHRQEUDGYRQQF-UWWQBHOKSA-N 0 3 301.434 3.170 20 30 DGEDHN CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccc(C#N)cc1 ZINC000278209306 214024302 /nfs/dbraw/zinc/02/43/02/214024302.db2.gz HOSZXQKGEKGOEZ-SFHVURJKSA-N 0 3 307.397 3.159 20 30 DGEDHN CCc1nc(C)c(NC(=O)N[C@H](C)CN2CCCCC2)s1 ZINC000331192699 529726278 /nfs/dbraw/zinc/72/62/78/529726278.db2.gz MAAYGMUZKMTEOC-LLVKDONJSA-N 0 3 310.467 3.214 20 30 DGEDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000181590079 199323094 /nfs/dbraw/zinc/32/30/94/199323094.db2.gz JWWVREVFQKVREB-YOEHRIQHSA-N 0 3 305.381 3.014 20 30 DGEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCCCCO ZINC000434676367 529823017 /nfs/dbraw/zinc/82/30/17/529823017.db2.gz QLSITLQZFSXEPK-UHFFFAOYSA-N 0 3 315.335 3.031 20 30 DGEDHN COc1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1OCCCC#N ZINC000064613951 432009276 /nfs/dbraw/zinc/00/92/76/432009276.db2.gz GAZDWNIGISFUFA-GOEBONIOSA-N 0 3 318.417 3.035 20 30 DGEDHN CN(CCOCCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000339196843 529922848 /nfs/dbraw/zinc/92/28/48/529922848.db2.gz BVCPAECLPPPUIM-IAGOWNOFSA-N 0 3 302.418 3.095 20 30 DGEDHN C=CCCCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000279633968 215020878 /nfs/dbraw/zinc/02/08/78/215020878.db2.gz VATDCQUEYNRJHU-UHFFFAOYSA-N 0 3 303.450 3.246 20 30 DGEDHN CC(C)(C)OC(=O)NCCCCNCc1ccc(C#N)cc1F ZINC000272671551 210075983 /nfs/dbraw/zinc/07/59/83/210075983.db2.gz KPDMHPJSIHNRKD-UHFFFAOYSA-N 0 3 321.396 3.092 20 30 DGEDHN C=CCc1cc(CN(C)C[C@H]2CCCC[C@H]2O)cc(OC)c1O ZINC000272660957 210065697 /nfs/dbraw/zinc/06/56/97/210065697.db2.gz RLOQBRBLUKSDFB-IAGOWNOFSA-N 0 3 319.445 3.112 20 30 DGEDHN C=CCCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000279699146 215070775 /nfs/dbraw/zinc/07/07/75/215070775.db2.gz BOONMTJXCHZPNQ-OAHLLOKOSA-N 0 3 321.490 3.226 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@](C)(O)CC2)ccc1OC ZINC000279704569 215077418 /nfs/dbraw/zinc/07/74/18/215077418.db2.gz RRFNJMZFQACOJF-IBGZPJMESA-N 0 3 319.445 3.387 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)cccc2Cl)CC1 ZINC000106036983 432019128 /nfs/dbraw/zinc/01/91/28/432019128.db2.gz CSXXEFRLVSJGMM-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC000106034296 432019432 /nfs/dbraw/zinc/01/94/32/432019432.db2.gz FHTVCUVTYXVMAH-UHFFFAOYSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000106034897 432019370 /nfs/dbraw/zinc/01/93/70/432019370.db2.gz BSNAIKFXTFWNHI-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000106036972 432019595 /nfs/dbraw/zinc/01/95/95/432019595.db2.gz HULKTLIZNVNVKF-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2csc(CC(C)C)n2)CC1 ZINC000106035751 432019785 /nfs/dbraw/zinc/01/97/85/432019785.db2.gz ABGPPASHJRNCHK-UHFFFAOYSA-N 0 3 321.490 3.112 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000106039589 432020642 /nfs/dbraw/zinc/02/06/42/432020642.db2.gz PAULTQZRFDUJEP-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000106275054 432020862 /nfs/dbraw/zinc/02/08/62/432020862.db2.gz KYOLGQLHNSAIGB-QGZVFWFLSA-N 0 3 305.466 3.001 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(CC)CC1 ZINC000279870703 215195651 /nfs/dbraw/zinc/19/56/51/215195651.db2.gz HMVVBGTYGABQMK-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1C#N ZINC000172688565 198137454 /nfs/dbraw/zinc/13/74/54/198137454.db2.gz CKKCLYOZIQPHQS-CYBMUJFWSA-N 0 3 324.380 3.189 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000174508304 198343917 /nfs/dbraw/zinc/34/39/17/198343917.db2.gz BPWWOSMYAALNAM-IAGOWNOFSA-N 0 3 300.402 3.004 20 30 DGEDHN CCN(CC)[C@H](CNCc1ccc(C#N)s1)c1ccco1 ZINC000176958116 198642409 /nfs/dbraw/zinc/64/24/09/198642409.db2.gz QFHDIULKKGNHSB-OAHLLOKOSA-N 0 3 303.431 3.385 20 30 DGEDHN CN(CCC#N)C(=O)CCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000131861362 432042128 /nfs/dbraw/zinc/04/21/28/432042128.db2.gz CIRGMMZEJBAMRJ-SFHVURJKSA-N 0 3 317.408 3.019 20 30 DGEDHN N#CCCn1cc(CNC[C@H]2CCCCO2)c(-c2ccccc2)n1 ZINC000237828952 283052372 /nfs/dbraw/zinc/05/23/72/283052372.db2.gz MLPNDKMFPWMUFT-GOSISDBHSA-N 0 3 324.428 3.122 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1 ZINC000328766128 283058187 /nfs/dbraw/zinc/05/81/87/283058187.db2.gz PJQKCAOUKLDCTL-GRYCIOLGSA-N 0 3 312.339 3.300 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCc3ccsc3C2)c1 ZINC000132489738 432049314 /nfs/dbraw/zinc/04/93/14/432049314.db2.gz CWFDYVVDHAPABZ-UHFFFAOYSA-N 0 3 311.410 3.007 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000068048786 432050250 /nfs/dbraw/zinc/05/02/50/432050250.db2.gz BRSLEAWDZACHFH-PKOBYXMFSA-N 0 3 301.430 3.116 20 30 DGEDHN CCCN(CC1CCCCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411186113 283195306 /nfs/dbraw/zinc/19/53/06/283195306.db2.gz IWRYUDDIQPYJSV-GOSISDBHSA-N 0 3 313.445 3.377 20 30 DGEDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)N(C)Cc1ccccc1 ZINC000166533043 432060656 /nfs/dbraw/zinc/06/06/56/432060656.db2.gz NKEBNLNNHPQLBS-AWEZNQCLSA-N 0 3 324.384 3.399 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000179658726 432066689 /nfs/dbraw/zinc/06/66/89/432066689.db2.gz OZAWQMOLVPFZRX-HNNXBMFYSA-N 0 3 304.459 3.195 20 30 DGEDHN N#Cc1csc(C(=O)NC[C@H]2CCCN2C2CCCCC2)c1 ZINC000280606418 283246455 /nfs/dbraw/zinc/24/64/55/283246455.db2.gz ALWDATZQTMBTFB-OAHLLOKOSA-N 0 3 317.458 3.147 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(CCCCC(F)(F)F)C2)nc1 ZINC000292334627 223000679 /nfs/dbraw/zinc/00/06/79/223000679.db2.gz WNSPGZTVIOPXEI-ZDUSSCGKSA-N 0 3 313.323 3.139 20 30 DGEDHN CCCN(CCN1CCCCCC1)C(=O)c1cccc(C#N)c1 ZINC000345367939 283255649 /nfs/dbraw/zinc/25/56/49/283255649.db2.gz WSLOZXBUTVJYHY-UHFFFAOYSA-N 0 3 313.445 3.286 20 30 DGEDHN CCN([C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000179300033 199012006 /nfs/dbraw/zinc/01/20/06/199012006.db2.gz QZKCLDYHGDLARJ-MAUKXSAKSA-N 0 3 313.445 3.341 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000179780428 199079768 /nfs/dbraw/zinc/07/97/68/199079768.db2.gz YUPVTYUZRXOLHR-CYBMUJFWSA-N 0 3 323.425 3.042 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000179962425 432075878 /nfs/dbraw/zinc/07/58/78/432075878.db2.gz NAHOQIYHODIGTD-KXBFYZLASA-N 0 3 319.408 3.404 20 30 DGEDHN Cn1cc(CNCc2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180045016 432077002 /nfs/dbraw/zinc/07/70/02/432077002.db2.gz NBQKWUUWMLXYSU-UHFFFAOYSA-N 0 3 320.371 3.388 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N(C)c2cccnn2)CC1 ZINC000187696900 200146081 /nfs/dbraw/zinc/14/60/81/200146081.db2.gz XYTDNXJWEAYPMY-OAHLLOKOSA-N 0 3 321.428 3.010 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1CN1CCCC1 ZINC000189074447 200345127 /nfs/dbraw/zinc/34/51/27/200345127.db2.gz PIRCWMHKWVMGLG-ZDUSSCGKSA-N 0 3 324.350 3.037 20 30 DGEDHN N#Cc1csc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000428531893 238024403 /nfs/dbraw/zinc/02/44/03/238024403.db2.gz DURYYDWMTMNNJO-IRXDYDNUSA-N 0 3 316.401 3.015 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000428557273 238025180 /nfs/dbraw/zinc/02/51/80/238025180.db2.gz IIVDUMMPKSFMTD-QGZVFWFLSA-N 0 3 322.408 3.332 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H]3CCCC(F)(F)C3)C2)nc1 ZINC000428792426 238031796 /nfs/dbraw/zinc/03/17/96/238031796.db2.gz WHWIZZNYMORDJJ-DZGCQCFKSA-N 0 3 321.371 3.232 20 30 DGEDHN C[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429584180 238056187 /nfs/dbraw/zinc/05/61/87/238056187.db2.gz DCTYFSHACWPYRJ-SMDDNHRTSA-N 0 3 305.809 3.271 20 30 DGEDHN COc1cc(C)c([C@@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000190765425 200583756 /nfs/dbraw/zinc/58/37/56/200583756.db2.gz BYYGYGCHFLSWTG-CYBMUJFWSA-N 0 3 313.401 3.073 20 30 DGEDHN CN(C)[C@@H](CC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000431900896 238113994 /nfs/dbraw/zinc/11/39/94/238113994.db2.gz VTFGCOGFLGCZAV-IBGZPJMESA-N 0 3 321.424 3.210 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccccc1F ZINC000433132331 238147967 /nfs/dbraw/zinc/14/79/67/238147967.db2.gz XABVIXVQAVTPSU-KRWDZBQOSA-N 0 3 310.372 3.257 20 30 DGEDHN N#Cc1ccc(CNCC2(CO)CC(c3ccccc3)C2)c(F)c1 ZINC000433178906 238149170 /nfs/dbraw/zinc/14/91/70/238149170.db2.gz DGXHNXHTDDHBPM-UHFFFAOYSA-N 0 3 324.399 3.343 20 30 DGEDHN COCCN(Cc1ccc(CC#N)cc1)[C@H]1CCCSC1 ZINC000433186414 238149411 /nfs/dbraw/zinc/14/94/11/238149411.db2.gz JIXUXCOGSGGPKH-KRWDZBQOSA-N 0 3 304.459 3.097 20 30 DGEDHN C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000271972367 209352005 /nfs/dbraw/zinc/35/20/05/209352005.db2.gz UQVRDCKRIGLVSC-PXAZEXFGSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](O)[C@](C)(CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000191709822 200749424 /nfs/dbraw/zinc/74/94/24/200749424.db2.gz PERMAQGIZKBKIX-KSSFIOAISA-N 0 3 314.454 3.339 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C2(C)OCCO2)CC1 ZINC000268491566 432094493 /nfs/dbraw/zinc/09/44/93/432094493.db2.gz RONWBHJTCFBDLY-AWEZNQCLSA-N 0 3 300.402 3.094 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCCOC1CCCC1 ZINC000435927324 238372735 /nfs/dbraw/zinc/37/27/35/238372735.db2.gz LXAUKFKOZIYSDN-KRWDZBQOSA-N 0 3 314.429 3.224 20 30 DGEDHN CCC(CC)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000193247191 201012877 /nfs/dbraw/zinc/01/28/77/201012877.db2.gz AEMVNXZOMPEHOK-SNVBAGLBSA-N 0 3 305.447 3.214 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000246132867 432098174 /nfs/dbraw/zinc/09/81/74/432098174.db2.gz KXQDDERELDYXHD-FXAWDEMLSA-N 0 3 323.440 3.368 20 30 DGEDHN CO[C@@H](C)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000443008546 239163747 /nfs/dbraw/zinc/16/37/47/239163747.db2.gz UYVNXGKWLRWQHE-HNNXBMFYSA-N 0 3 310.397 3.262 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)C1 ZINC000281576339 216395747 /nfs/dbraw/zinc/39/57/47/216395747.db2.gz ZLLSOZDSQMLYTF-OLQIXAPSSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000443642291 239221729 /nfs/dbraw/zinc/22/17/29/239221729.db2.gz NUOGIKGKWUMBCH-IRXDYDNUSA-N 0 3 313.445 3.301 20 30 DGEDHN N#Cc1cc(NC(=O)C2CCN(C3CC3)CC2)ccc1Cl ZINC000195320367 201380358 /nfs/dbraw/zinc/38/03/58/201380358.db2.gz PMOSFHMHRYKVJZ-UHFFFAOYSA-N 0 3 303.793 3.025 20 30 DGEDHN COCCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444591566 239301316 /nfs/dbraw/zinc/30/13/16/239301316.db2.gz DBXCVJWWIHWZAZ-UHFFFAOYSA-N 0 3 308.425 3.465 20 30 DGEDHN C[C@@H](NC(=O)C[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000416139562 296051771 /nfs/dbraw/zinc/05/17/71/296051771.db2.gz QNKWGXWTQKWJSK-DNVCBOLYSA-N 0 3 321.424 3.428 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000180807128 432101281 /nfs/dbraw/zinc/10/12/81/432101281.db2.gz BHJJGDVJIVBMJQ-ZDUSSCGKSA-N 0 3 306.431 3.175 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OCC(C)C)c1 ZINC000449516886 240262065 /nfs/dbraw/zinc/26/20/65/240262065.db2.gz CYSXHBWCUVUZEZ-CVEARBPZSA-N 0 3 305.418 3.163 20 30 DGEDHN CO[C@@H]([C@H](C)NCc1cccc(OCCCC#N)c1)C1CC1 ZINC000449635079 240333925 /nfs/dbraw/zinc/33/39/25/240333925.db2.gz XFGHVIVJTWQQFK-KSSFIOAISA-N 0 3 302.418 3.272 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@H]1n1cccn1 ZINC000449655156 240348323 /nfs/dbraw/zinc/34/83/23/240348323.db2.gz GJXCHUGATUGRFU-RCCFBDPRSA-N 0 3 324.428 3.042 20 30 DGEDHN COc1ccc(CN2CCC[C@@]3(CCSC3)C2)cc1C#N ZINC000449730213 240385793 /nfs/dbraw/zinc/38/57/93/240385793.db2.gz CYXKHVBMRNYZBJ-QGZVFWFLSA-N 0 3 302.443 3.286 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCN(C2CC2)C1 ZINC000451092643 241003599 /nfs/dbraw/zinc/00/35/99/241003599.db2.gz MQLMGAKKCNVYMR-CYBMUJFWSA-N 0 3 303.837 3.128 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451591600 241181789 /nfs/dbraw/zinc/18/17/89/241181789.db2.gz AUDRMRKVCYUSOW-IAGOWNOFSA-N 0 3 304.821 3.098 20 30 DGEDHN N#Cc1cccc(OCCCN2CCSC[C@H]2C2CC2)c1 ZINC000451655970 241200517 /nfs/dbraw/zinc/20/05/17/241200517.db2.gz RQZFXKSOBQBQMJ-KRWDZBQOSA-N 0 3 302.443 3.155 20 30 DGEDHN CCOc1cccc(CN(CCO)CCCC(C)(C)C#N)c1 ZINC000452046297 241306270 /nfs/dbraw/zinc/30/62/70/241306270.db2.gz KMEDMEGRIFNCEI-UHFFFAOYSA-N 0 3 304.434 3.210 20 30 DGEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccc(F)cc3F)CC2)c1 ZINC000271781759 209209395 /nfs/dbraw/zinc/20/93/95/209209395.db2.gz LUZKFOWFCMZCGK-KRWDZBQOSA-N 0 3 314.335 3.149 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000455310813 242165565 /nfs/dbraw/zinc/16/55/65/242165565.db2.gz MYBXXKVYSUXBKG-QGZVFWFLSA-N 0 3 301.434 3.089 20 30 DGEDHN C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCCC[C@@H]1C ZINC000455924165 242314076 /nfs/dbraw/zinc/31/40/76/242314076.db2.gz VBCXSNQDLILKKJ-GJZGRUSLSA-N 0 3 314.433 3.137 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455959163 242318204 /nfs/dbraw/zinc/31/82/04/242318204.db2.gz UHIDMLKSBAKFSP-UHFFFAOYSA-N 0 3 314.433 3.206 20 30 DGEDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000190046128 432117250 /nfs/dbraw/zinc/11/72/50/432117250.db2.gz LAFFNDBBGLQQDI-CVEARBPZSA-N 0 3 317.458 3.151 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000459420622 243363535 /nfs/dbraw/zinc/36/35/35/243363535.db2.gz YHDOAVGEVDEVPU-HYVNUMGLSA-N 0 3 307.459 3.250 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(NCCN3CCCCC3)c2c1 ZINC000462793986 243688745 /nfs/dbraw/zinc/68/87/45/243688745.db2.gz XILNNKIONQCTFP-UHFFFAOYSA-N 0 3 308.429 3.043 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000476225498 244520738 /nfs/dbraw/zinc/52/07/38/244520738.db2.gz WUDBVUOSMNDIGJ-INIZCTEOSA-N 0 3 316.445 3.246 20 30 DGEDHN C[C@]1(NCc2cccc(OCc3ccccc3C#N)c2)CCOC1 ZINC000120161185 284162351 /nfs/dbraw/zinc/16/23/51/284162351.db2.gz OQBOYVZTSNOFJG-FQEVSTJZSA-N 0 3 322.408 3.406 20 30 DGEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)s2)C1 ZINC000487283398 245045469 /nfs/dbraw/zinc/04/54/69/245045469.db2.gz QKWOMQXEGYXAPV-ZDUSSCGKSA-N 0 3 319.474 3.250 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cscc1C)C(C)C ZINC000487640212 245085920 /nfs/dbraw/zinc/08/59/20/245085920.db2.gz NDTYEAGFCRYKRI-MRXNPFEDSA-N 0 3 306.475 3.485 20 30 DGEDHN CCn1cnnc1[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246363160 432122806 /nfs/dbraw/zinc/12/28/06/432122806.db2.gz LITIRQVSZZIJSB-PBHICJAKSA-N 0 3 309.417 3.110 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@H]1CCC[C@@H]1C ZINC000487995616 245134971 /nfs/dbraw/zinc/13/49/71/245134971.db2.gz AYJDVJNHGQJCDE-YOEHRIQHSA-N 0 3 302.418 3.204 20 30 DGEDHN CC(C)[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCN1C ZINC000488527424 245206157 /nfs/dbraw/zinc/20/61/57/245206157.db2.gz RDOLXUUJGMSDAP-IBGZPJMESA-N 0 3 315.461 3.141 20 30 DGEDHN N#Cc1cc2c(nc1SCCN1CCCCC1)CCCC2 ZINC000488599056 245215072 /nfs/dbraw/zinc/21/50/72/245215072.db2.gz STRLEZCXSCGWFV-UHFFFAOYSA-N 0 3 301.459 3.410 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@H]1C=C ZINC000489435811 245307240 /nfs/dbraw/zinc/30/72/40/245307240.db2.gz MSRDMUMRXVIGLB-MSOLQXFVSA-N 0 3 301.430 3.195 20 30 DGEDHN COc1ccc(CN(C[C@@H](O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000268704836 432123950 /nfs/dbraw/zinc/12/39/50/432123950.db2.gz SCEOSMJPDLZQJV-HXUWFJFHSA-N 0 3 322.408 3.265 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000271730116 209162860 /nfs/dbraw/zinc/16/28/60/209162860.db2.gz TZBYCFORXPOZHG-GOEBONIOSA-N 0 3 307.434 3.462 20 30 DGEDHN CC(C)N(C)C(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000490094671 245382487 /nfs/dbraw/zinc/38/24/87/245382487.db2.gz CPCJPOVFKAVEBP-OAHLLOKOSA-N 0 3 313.445 3.198 20 30 DGEDHN N#Cc1cccc(C2(NCCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000271746413 209177369 /nfs/dbraw/zinc/17/73/69/209177369.db2.gz DSTSCKSRTFDACC-UHFFFAOYSA-N 0 3 323.352 3.124 20 30 DGEDHN N#Cc1ccc(CNc2ccccc2CN2CCC(O)CC2)cc1 ZINC000265624854 204744916 /nfs/dbraw/zinc/74/49/16/204744916.db2.gz RILAGJHFRCSMCX-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN COC(=O)c1cccc(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000271676387 209119431 /nfs/dbraw/zinc/11/94/31/209119431.db2.gz OQDAOWQFDFPIKE-AWEZNQCLSA-N 0 3 324.380 3.074 20 30 DGEDHN CC[C@H](NCc1cccc(C#N)c1)[C@@H](O)c1c(F)cccc1F ZINC000266330134 205271132 /nfs/dbraw/zinc/27/11/32/205271132.db2.gz VKNSXOIUNVHUTH-FUHWJXTLSA-N 0 3 316.351 3.438 20 30 DGEDHN CC[C@@H](NCc1cccc(C#N)c1)[C@@H](O)c1c(F)cccc1F ZINC000266330135 205271201 /nfs/dbraw/zinc/27/12/01/205271201.db2.gz VKNSXOIUNVHUTH-SJLPKXTDSA-N 0 3 316.351 3.438 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H](O)COCc1ccccc1 ZINC000128196619 284366787 /nfs/dbraw/zinc/36/67/87/284366787.db2.gz VMYUQMNSGYSYDI-JXFKEZNVSA-N 0 3 324.424 3.129 20 30 DGEDHN C=CCN1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000266359052 205291378 /nfs/dbraw/zinc/29/13/78/205291378.db2.gz KJKZHNFNGPDXAH-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(N2CCOCC2)c1 ZINC000268736356 432129549 /nfs/dbraw/zinc/12/95/49/432129549.db2.gz BSWKAQZMSWXGPT-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(C#N)cn1 ZINC000128626237 284381741 /nfs/dbraw/zinc/38/17/41/284381741.db2.gz NCXRYQAEYXOKIG-UHFFFAOYSA-N 0 3 320.396 3.110 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@](CC)(CO)C2)cc1OC ZINC000190223576 432132888 /nfs/dbraw/zinc/13/28/88/432132888.db2.gz GOVGUWXNYMDXAZ-LJQANCHMSA-N 0 3 319.445 3.245 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@@H](O)c2ccc(F)cc2)cc1 ZINC000268779354 432132902 /nfs/dbraw/zinc/13/29/02/432132902.db2.gz XEYCLONKTDARFG-IFXJQAMLSA-N 0 3 313.372 3.222 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000494792387 246191669 /nfs/dbraw/zinc/19/16/69/246191669.db2.gz FWOQAMQGFLFQSY-KBPBESRZSA-N 0 3 310.319 3.216 20 30 DGEDHN C=CCC[C@H](NCC1CCN(C(=O)OC)CC1)c1ccco1 ZINC000495618926 246286563 /nfs/dbraw/zinc/28/65/63/246286563.db2.gz NNPXYDLQNXOMAM-HNNXBMFYSA-N 0 3 306.406 3.355 20 30 DGEDHN CCN(C)C(=O)OC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000495769191 246307648 /nfs/dbraw/zinc/30/76/48/246307648.db2.gz HNVQTHAQCIXGLS-OAHLLOKOSA-N 0 3 309.454 3.259 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(F)c1)C(C)C ZINC000496014216 246341088 /nfs/dbraw/zinc/34/10/88/246341088.db2.gz MYDYASRJJSGCNR-QGZVFWFLSA-N 0 3 304.409 3.254 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccccc1C)C(C)C ZINC000496014435 246341200 /nfs/dbraw/zinc/34/12/00/246341200.db2.gz PBGWPRIEYCTFAN-LJQANCHMSA-N 0 3 314.473 3.352 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(F)ccc1F)C(C)C ZINC000496015890 246341831 /nfs/dbraw/zinc/34/18/31/246341831.db2.gz XHMZDNGHAXVCEH-QGZVFWFLSA-N 0 3 322.399 3.393 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCC(C)(C)C#N ZINC000496453733 246398007 /nfs/dbraw/zinc/39/80/07/246398007.db2.gz GTPMVIJFXZMQRP-KGLIPLIRSA-N 0 3 309.454 3.304 20 30 DGEDHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000496967549 246464790 /nfs/dbraw/zinc/46/47/90/246464790.db2.gz INPCZENNNWVXIB-HUUCEWRRSA-N 0 3 321.465 3.448 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000171606937 432149732 /nfs/dbraw/zinc/14/97/32/432149732.db2.gz WJORGEDPCJPVDA-WBVHZDCISA-N 0 3 307.482 3.247 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/C(C)(C)C ZINC000110056762 194306906 /nfs/dbraw/zinc/30/69/06/194306906.db2.gz PEYONYDXPAAOTM-ZHACJKMWSA-N 0 3 313.445 3.051 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000269052119 207200917 /nfs/dbraw/zinc/20/09/17/207200917.db2.gz SGCTWMRYZMWVJI-PMACEKPBSA-N 0 3 321.424 3.168 20 30 DGEDHN CC1CCN(CCNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269149402 207276473 /nfs/dbraw/zinc/27/64/73/207276473.db2.gz QHISHUTUDBWAHF-UHFFFAOYSA-N 0 3 320.824 3.065 20 30 DGEDHN CCCC(=O)NC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249088302 285054076 /nfs/dbraw/zinc/05/40/76/285054076.db2.gz CIUVFYYQAUPIAK-WBVHZDCISA-N 0 3 313.445 3.248 20 30 DGEDHN COc1ccc(O[C@@H](C)CNCc2ccc(C#N)c(C)c2)cc1 ZINC000444003172 533028850 /nfs/dbraw/zinc/02/88/50/533028850.db2.gz MEBZROJVZUSWBY-HNNXBMFYSA-N 0 3 310.397 3.432 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1COc2ccccc2O1 ZINC000250199018 285092766 /nfs/dbraw/zinc/09/27/66/285092766.db2.gz BHBXNCAMITUPKH-YOEHRIQHSA-N 0 3 308.381 3.391 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000337796889 253175634 /nfs/dbraw/zinc/17/56/34/253175634.db2.gz GMFAALXFUAFJCE-HNNXBMFYSA-N 0 3 321.424 3.117 20 30 DGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000338377840 253276546 /nfs/dbraw/zinc/27/65/46/253276546.db2.gz MTCQOTPPJPPGBP-AWEZNQCLSA-N 0 3 318.380 3.109 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159175652 197332906 /nfs/dbraw/zinc/33/29/06/197332906.db2.gz CEEPYPWHCVGCAV-UHFFFAOYSA-N 0 3 316.405 3.047 20 30 DGEDHN N#Cc1cccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288748027 220388425 /nfs/dbraw/zinc/38/84/25/220388425.db2.gz HVDWUJOYNTWOEN-FQEVSTJZSA-N 0 3 324.399 3.124 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000341553150 533117661 /nfs/dbraw/zinc/11/76/61/533117661.db2.gz FTLXGALZVOKJBB-ZANVPECISA-N 0 3 312.291 3.312 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@@H](O)c2cccc(F)c2)cc1 ZINC000157627473 197202676 /nfs/dbraw/zinc/20/26/76/197202676.db2.gz MBALQGYLNWHBGH-IFXJQAMLSA-N 0 3 313.372 3.222 20 30 DGEDHN CN(c1ccnc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000342787880 254050691 /nfs/dbraw/zinc/05/06/91/254050691.db2.gz NFPRFXCGYDQPNG-IBGZPJMESA-N 0 3 306.413 3.054 20 30 DGEDHN COc1ccccc1[C@@H](CNCc1cc(C#N)cs1)N(C)C ZINC000343079793 254096128 /nfs/dbraw/zinc/09/61/28/254096128.db2.gz RMCZRUMHUDBANE-MRXNPFEDSA-N 0 3 315.442 3.021 20 30 DGEDHN COCC[C@@H](Cc1ccco1)NCc1ccc(C#N)cc1F ZINC000344331199 254257976 /nfs/dbraw/zinc/25/79/76/254257976.db2.gz AWKAQLQKIFXGBE-HNNXBMFYSA-N 0 3 302.349 3.028 20 30 DGEDHN CN(CCCC(=O)OC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC000344420594 254268925 /nfs/dbraw/zinc/26/89/25/254268925.db2.gz YMCXWABHSKHDIU-UHFFFAOYSA-N 0 3 306.381 3.251 20 30 DGEDHN Cc1noc(C2CCC(NCc3ccc(C#N)cc3F)CC2)n1 ZINC000344691132 254296417 /nfs/dbraw/zinc/29/64/17/254296417.db2.gz IGBACABSXZKCTE-UHFFFAOYSA-N 0 3 314.364 3.205 20 30 DGEDHN CC#CCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000156604257 197126110 /nfs/dbraw/zinc/12/61/10/197126110.db2.gz ZZRSATLXWFWVTP-UHFFFAOYSA-N 0 3 319.836 3.293 20 30 DGEDHN CC#CCCN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000156613865 197127315 /nfs/dbraw/zinc/12/73/15/197127315.db2.gz FACYHBZREADDKC-KRWDZBQOSA-N 0 3 313.445 3.242 20 30 DGEDHN CC(C)C(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000289561078 221067739 /nfs/dbraw/zinc/06/77/39/221067739.db2.gz XVULPJYBIAQFKT-UHFFFAOYSA-N 0 3 318.392 3.156 20 30 DGEDHN Cn1cc(CN[C@H]2c3ccccc3CC23CCOCC3)cc1C#N ZINC000289958127 221343413 /nfs/dbraw/zinc/34/34/13/221343413.db2.gz XZFQHDUAQZAXLW-IBGZPJMESA-N 0 3 321.424 3.081 20 30 DGEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@H]2C1 ZINC000451694297 285326969 /nfs/dbraw/zinc/32/69/69/285326969.db2.gz KTBXSCRPZLBEON-XYJFISCASA-N 0 3 303.833 3.174 20 30 DGEDHN COc1ccc2[nH]cc(C3CCN(C(=O)C(C)C#N)CC3)c2c1 ZINC000357812805 533234882 /nfs/dbraw/zinc/23/48/82/533234882.db2.gz UTHTVGYGNXBBMT-GFCCVEGCSA-N 0 3 311.385 3.042 20 30 DGEDHN CCC[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1CCOC ZINC000121758830 195341136 /nfs/dbraw/zinc/34/11/36/195341136.db2.gz VJDLRQDYQYCEIM-LPHOPBHVSA-N 0 3 315.461 3.052 20 30 DGEDHN C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)cc1 ZINC000126298913 195827231 /nfs/dbraw/zinc/82/72/31/195827231.db2.gz WSLKSZUTMNQZNX-XJKSGUPXSA-N 0 3 310.376 3.022 20 30 DGEDHN COc1ccc2c(c1)CN(C(=O)C(C)C#N)[C@@H](c1ccccc1)C2 ZINC000346082235 533259784 /nfs/dbraw/zinc/25/97/84/533259784.db2.gz QHHDFDUCIGDNEC-AUUYWEPGSA-N 0 3 320.392 3.481 20 30 DGEDHN COCC[C@H](c1ccccc1)N1CCC(C#N)(COC)CC1 ZINC000341982246 533315738 /nfs/dbraw/zinc/31/57/38/533315738.db2.gz DKCJRTMKESUMER-QGZVFWFLSA-N 0 3 302.418 3.016 20 30 DGEDHN C[C@@H](CC(=O)c1ccco1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433375516 533458999 /nfs/dbraw/zinc/45/89/99/533458999.db2.gz LOJMQNWBBMSLNM-HOCLYGCPSA-N 0 3 324.380 3.130 20 30 DGEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cc[nH]c(=O)c1 ZINC000339458725 533456537 /nfs/dbraw/zinc/45/65/37/533456537.db2.gz XRBPELNRTQKWGD-CQSZACIVSA-N 0 3 311.385 3.321 20 30 DGEDHN COc1cccc(C(NC(=O)C(C)C#N)c2cccc(OC)c2)c1 ZINC000359770775 533425097 /nfs/dbraw/zinc/42/50/97/533425097.db2.gz STDVTJZEIASRBN-ZDUSSCGKSA-N 0 3 324.380 3.069 20 30 DGEDHN COc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433123508 533491689 /nfs/dbraw/zinc/49/16/89/533491689.db2.gz ZJBGOHKGIUOGFW-SFHVURJKSA-N 0 3 322.408 3.126 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NC(C)(C)CN(C)C)c1 ZINC000454662096 533519258 /nfs/dbraw/zinc/51/92/58/533519258.db2.gz CGSDXGSOEXDYMQ-UHFFFAOYSA-N 0 3 305.422 3.103 20 30 DGEDHN C=C(C)CN(CC)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000006205023 400091100 /nfs/dbraw/zinc/09/11/00/400091100.db2.gz GVKBGBPRWVFFPO-UHFFFAOYSA-N 0 3 300.446 3.323 20 30 DGEDHN CC[C@H](C)c1ccc([C@@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000066473519 400093562 /nfs/dbraw/zinc/09/35/62/400093562.db2.gz LSPGMOIXBNVMRG-KSSFIOAISA-N 0 3 301.434 3.127 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(C#N)c(F)c1 ZINC000595060077 400095142 /nfs/dbraw/zinc/09/51/42/400095142.db2.gz LGYDBRBKTLWVNM-SNCVEODUSA-N 0 3 308.422 3.038 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000595090910 400102709 /nfs/dbraw/zinc/10/27/09/400102709.db2.gz SBCDAQYPHQRAAH-CABCVRRESA-N 0 3 303.425 3.468 20 30 DGEDHN CNCc1ccccc1NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000595236123 400112482 /nfs/dbraw/zinc/11/24/82/400112482.db2.gz IEACGEHKGKQTPM-UHFFFAOYSA-N 0 3 322.412 3.334 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000595250206 400112903 /nfs/dbraw/zinc/11/29/03/400112903.db2.gz MNSOLHZTYZQYMP-ZDUSSCGKSA-N 0 3 314.216 3.021 20 30 DGEDHN N#CCCC1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000581367666 400079493 /nfs/dbraw/zinc/07/94/93/400079493.db2.gz LMSJKYNPXZDOLB-UHFFFAOYSA-N 0 3 310.401 3.295 20 30 DGEDHN CCCn1nccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000581380680 400079501 /nfs/dbraw/zinc/07/95/01/400079501.db2.gz BURVQYHVEJPBLS-NSHDSACASA-N 0 3 322.290 3.197 20 30 DGEDHN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC[C@H](C#N)CCC#N ZINC000581657533 400082129 /nfs/dbraw/zinc/08/21/29/400082129.db2.gz XKODAIITHXMRPX-KGLIPLIRSA-N 0 3 312.392 3.282 20 30 DGEDHN C[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CCN(C2CC2)C1 ZINC000595508208 400172229 /nfs/dbraw/zinc/17/22/29/400172229.db2.gz VMOLUKJBCOLLAX-SUMWQHHRSA-N 0 3 303.837 3.321 20 30 DGEDHN N#Cc1ccc(CCN(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000595296253 400120073 /nfs/dbraw/zinc/12/00/73/400120073.db2.gz YPAJDRDSZOYJKF-LJQANCHMSA-N 0 3 310.397 3.375 20 30 DGEDHN CCN(CCN1C[C@@H](C)O[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000595296062 400120381 /nfs/dbraw/zinc/12/03/81/400120381.db2.gz WYPYOPRSZYTZGF-IXDOHACOSA-N 0 3 315.461 3.050 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CCN(CC2CC=CC2)CC1 ZINC000595299440 400122512 /nfs/dbraw/zinc/12/25/12/400122512.db2.gz ZKKXAOVYZASFAR-UHFFFAOYSA-N 0 3 318.424 3.195 20 30 DGEDHN N#Cc1ccc(OC2CCN(Cc3cccc(N)c3)CC2)cc1 ZINC000595302813 400123961 /nfs/dbraw/zinc/12/39/61/400123961.db2.gz KLDKMZNMAYGREB-UHFFFAOYSA-N 0 3 307.397 3.184 20 30 DGEDHN CN(CCNC(=O)c1ccccc1-c1ccccc1C#N)C1CC1 ZINC000066924301 400129491 /nfs/dbraw/zinc/12/94/91/400129491.db2.gz UYJRWYIFOAVUAZ-UHFFFAOYSA-N 0 3 319.408 3.049 20 30 DGEDHN COC(=O)c1ccc(CN(C)CCc2ccc(C#N)cc2)cc1 ZINC000595353045 400133870 /nfs/dbraw/zinc/13/38/70/400133870.db2.gz HTRQSOFEPYIOIQ-UHFFFAOYSA-N 0 3 308.381 3.019 20 30 DGEDHN CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000595471268 400160544 /nfs/dbraw/zinc/16/05/44/400160544.db2.gz YIYAESQTEUPKPA-UHFFFAOYSA-N 0 3 311.351 3.103 20 30 DGEDHN CO[C@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CCCC1 ZINC000595472598 400161519 /nfs/dbraw/zinc/16/15/19/400161519.db2.gz NUDWMTGDRHVWDI-QGZVFWFLSA-N 0 3 313.445 3.144 20 30 DGEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCc1ccc(C#N)cc1 ZINC000595476790 400162595 /nfs/dbraw/zinc/16/25/95/400162595.db2.gz PRMPDBGPKJVNIS-MOPGFXCFSA-N 0 3 318.424 3.155 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC1(C#N)CCCCC1 ZINC000595499775 400169028 /nfs/dbraw/zinc/16/90/28/400169028.db2.gz ANQBRLATAISCRB-IYBDPMFKSA-N 0 3 320.481 3.023 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)CCCCCC#N)CN1Cc1ccccc1 ZINC000588644098 400219670 /nfs/dbraw/zinc/21/96/70/400219670.db2.gz VIJNWJWSRHAFEZ-SJLPKXTDSA-N 0 3 313.445 3.240 20 30 DGEDHN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)cc2)on1 ZINC000067965855 400220288 /nfs/dbraw/zinc/22/02/88/400220288.db2.gz RSAJDNFUXFPYNY-INIZCTEOSA-N 0 3 324.384 3.020 20 30 DGEDHN N#Cc1csc(CNC[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000588928776 400246743 /nfs/dbraw/zinc/24/67/43/400246743.db2.gz UWMCRFAADRIRDN-CYBMUJFWSA-N 0 3 306.818 3.139 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H]2C[C@H](C)O)ccc1OC ZINC000093483356 400248474 /nfs/dbraw/zinc/24/84/74/400248474.db2.gz ZYHHIOXUMJOQAA-DOTOQJQBSA-N 0 3 319.445 3.385 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CCF)C1 ZINC000595756351 400251309 /nfs/dbraw/zinc/25/13/09/400251309.db2.gz UEBPYVXYNDSMOO-CQSZACIVSA-N 0 3 306.381 3.017 20 30 DGEDHN CC(C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000068334631 400253172 /nfs/dbraw/zinc/25/31/72/400253172.db2.gz VHQJMKPGKUYPRO-CQSZACIVSA-N 0 3 305.397 3.049 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000595602026 400200359 /nfs/dbraw/zinc/20/03/59/400200359.db2.gz FSQCUJHIHXGUFE-ZBFHGGJFSA-N 0 3 315.417 3.431 20 30 DGEDHN C[C@@H](NC[C@H](O)Cc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000588204565 400201525 /nfs/dbraw/zinc/20/15/25/400201525.db2.gz UUJMIHSGJJQEQZ-FZKQIMNGSA-N 0 3 314.816 3.466 20 30 DGEDHN Oc1cccc(/C=N/C2CCN(Cc3ccccc3)CC2)c1O ZINC000022727146 400203619 /nfs/dbraw/zinc/20/36/19/400203619.db2.gz RMXZMNMBNNYIJP-DEDYPNTBSA-N 0 3 310.397 3.181 20 30 DGEDHN N#Cc1cccc(C2(NCC#Cc3ccccc3)CCOCC2)c1 ZINC000595769325 400254281 /nfs/dbraw/zinc/25/42/81/400254281.db2.gz PDMSGTCMYSTUOP-UHFFFAOYSA-N 0 3 316.404 3.205 20 30 DGEDHN CC1(C)CC[C@H](CNC2(c3cccc(C#N)c3)CCOCC2)O1 ZINC000595768944 400254418 /nfs/dbraw/zinc/25/44/18/400254418.db2.gz MVDWEDIKUBYAEW-QGZVFWFLSA-N 0 3 314.429 3.111 20 30 DGEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000610001908 400206114 /nfs/dbraw/zinc/20/61/14/400206114.db2.gz LHBMRHGSWAJNHQ-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ccco3)CC2)cc1 ZINC000595613645 400206915 /nfs/dbraw/zinc/20/69/15/400206915.db2.gz CJUKCOUIQLRKBX-UHFFFAOYSA-N 0 3 323.396 3.359 20 30 DGEDHN N#CCCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000588283094 400207099 /nfs/dbraw/zinc/20/70/99/400207099.db2.gz NDDANRKHTNWDNR-GOSISDBHSA-N 0 3 313.445 3.241 20 30 DGEDHN N#CC[C@H]1CCCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000595619471 400210119 /nfs/dbraw/zinc/21/01/19/400210119.db2.gz BPKOLEQTZSLJRU-VQIMIIECSA-N 0 3 314.429 3.370 20 30 DGEDHN N#Cc1sccc1N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595636784 400213913 /nfs/dbraw/zinc/21/39/13/400213913.db2.gz JOABETBQIHSZTB-QLFBSQMISA-N 0 3 301.459 3.178 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC2(CCCC2)CC1 ZINC000595642163 400216745 /nfs/dbraw/zinc/21/67/45/400216745.db2.gz PVGFQWRZTJUDHS-KRWDZBQOSA-N 0 3 305.466 3.087 20 30 DGEDHN C[C@@H]1COC2(CCCC2)CN1CCCC1(C#N)CCOCC1 ZINC000595809022 400265533 /nfs/dbraw/zinc/26/55/33/400265533.db2.gz RAEBFVODCHFNSA-MRXNPFEDSA-N 0 3 306.450 3.120 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000595822749 400270598 /nfs/dbraw/zinc/27/05/98/400270598.db2.gz OKTDMEAAHXFABB-WMLDXEAASA-N 0 3 314.429 3.119 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N(CCC3CC3)CC3CC3)C2=O)cc1 ZINC000595871910 400283958 /nfs/dbraw/zinc/28/39/58/400283958.db2.gz TYHZRELREYQNCH-LJQANCHMSA-N 0 3 323.440 3.176 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1nc2ncccc2cc1C#N ZINC000596120167 400323135 /nfs/dbraw/zinc/32/31/35/400323135.db2.gz IHNJSEGIPQICNB-OKILXGFUSA-N 0 3 309.417 3.176 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCN1Cc3ccccc3C1)CC2 ZINC000589336843 400289787 /nfs/dbraw/zinc/28/97/87/400289787.db2.gz KFSYFSDMSHTZKZ-HXUWFJFHSA-N 0 3 303.409 3.151 20 30 DGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000589341856 400290152 /nfs/dbraw/zinc/29/01/52/400290152.db2.gz WWINIIOHRRIORD-ZBEGNZNMSA-N 0 3 318.380 3.478 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H](CNCc1ccc(C#N)s1)C1CCC1 ZINC000596063924 400308094 /nfs/dbraw/zinc/30/80/94/400308094.db2.gz PKHVFWRGUFTDFQ-HNNXBMFYSA-N 0 3 320.458 3.467 20 30 DGEDHN Cc1ccc(C#N)nc1NCCCN1CCc2ccccc2C1 ZINC000596076302 400310235 /nfs/dbraw/zinc/31/02/35/400310235.db2.gz NNEAEZYOVLAPNT-UHFFFAOYSA-N 0 3 306.413 3.122 20 30 DGEDHN C[C@H]1C[C@H](NC2CCN(CC#N)CC2)c2ccsc2S1 ZINC000610813045 400310313 /nfs/dbraw/zinc/31/03/13/400310313.db2.gz XBHKXKYBTWCTAT-FZMZJTMJSA-N 0 3 307.488 3.251 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000106034439 400325375 /nfs/dbraw/zinc/32/53/75/400325375.db2.gz SCWLICTYPIYDPP-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000578099044 400325607 /nfs/dbraw/zinc/32/56/07/400325607.db2.gz AGNQODGBLWNSRD-HUUCEWRRSA-N 0 3 324.390 3.471 20 30 DGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000029952733 400318956 /nfs/dbraw/zinc/31/89/56/400318956.db2.gz BMKSLRSNLLNSNX-CQSZACIVSA-N 0 3 323.396 3.026 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784857 400258056 /nfs/dbraw/zinc/25/80/56/400258056.db2.gz BZFRRKASFRLCJG-VQIMIIECSA-N 0 3 314.429 3.348 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1F ZINC000595789023 400260912 /nfs/dbraw/zinc/26/09/12/400260912.db2.gz PBJBINNWYYXGJC-NVXWUHKLSA-N 0 3 302.393 3.478 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790856 400261674 /nfs/dbraw/zinc/26/16/74/400261674.db2.gz ZAZLKLWMMYYRTB-WMZOPIPTSA-N 0 3 314.429 3.348 20 30 DGEDHN CC(C)(C)N1CC[C@@H](Nc2ncc(Br)cc2C#N)C1 ZINC000596334543 400383711 /nfs/dbraw/zinc/38/37/11/400383711.db2.gz BSLBCXZYRFLQMC-GFCCVEGCSA-N 0 3 323.238 3.000 20 30 DGEDHN CC(C)(C)N1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000596337368 400384815 /nfs/dbraw/zinc/38/48/15/400384815.db2.gz VTZAPCAUGQYKDZ-NSHDSACASA-N 0 3 312.339 3.257 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3c2cccc3C)CC1 ZINC000106340967 400326516 /nfs/dbraw/zinc/32/65/16/400326516.db2.gz WYMILIOTADXCFL-UHFFFAOYSA-N 0 3 313.445 3.108 20 30 DGEDHN Cc1ncc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)s1 ZINC000601966416 400390417 /nfs/dbraw/zinc/39/04/17/400390417.db2.gz AMJYVOJEEWWHLM-NSHDSACASA-N 0 3 314.414 3.003 20 30 DGEDHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000030532535 400328166 /nfs/dbraw/zinc/32/81/66/400328166.db2.gz MZEPVGYDSHZJFF-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114834687 400390936 /nfs/dbraw/zinc/39/09/36/400390936.db2.gz MTWGOJSMIBLWTE-SFHVURJKSA-N 0 3 313.445 3.035 20 30 DGEDHN CCN(Cc1ccnc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000610992844 400334287 /nfs/dbraw/zinc/33/42/87/400334287.db2.gz NCVZAPSKOXAVMN-OAHLLOKOSA-N 0 3 309.413 3.415 20 30 DGEDHN Cc1ccccc1CN1CCCN(c2ccc(C#N)c(C)n2)CC1 ZINC000589859504 400334562 /nfs/dbraw/zinc/33/45/62/400334562.db2.gz KZLVQZWGKUUCGS-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)OCO2 ZINC000611390314 400391563 /nfs/dbraw/zinc/39/15/63/400391563.db2.gz RBNLEUIESXHRDJ-QGZVFWFLSA-N 0 3 306.365 3.454 20 30 DGEDHN Cc1ccc(C#N)nc1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000596172752 400339797 /nfs/dbraw/zinc/33/97/97/400339797.db2.gz YDGCZVWNURRIFW-HNNXBMFYSA-N 0 3 321.428 3.294 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CCOC3)CC2)c(OC(F)F)c1 ZINC000611177752 400355161 /nfs/dbraw/zinc/35/51/61/400355161.db2.gz KMVLBBJFMDZTSK-UHFFFAOYSA-N 0 3 322.355 3.162 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(C(C)(C)C)C1)c1ccccc1 ZINC000617344887 400361184 /nfs/dbraw/zinc/36/11/84/400361184.db2.gz RJJRYEPFSWIDRE-DLBZAZTESA-N 0 3 300.446 3.335 20 30 DGEDHN CC(C)N1CCCC[C@H]1CN(C#N)c1ccc(F)c(C#N)c1 ZINC000596259803 400363973 /nfs/dbraw/zinc/36/39/73/400363973.db2.gz AAVVXGMBMKWCFR-INIZCTEOSA-N 0 3 300.381 3.248 20 30 DGEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000070975818 400364777 /nfs/dbraw/zinc/36/47/77/400364777.db2.gz DLLQNFWUUOEMGU-LJQANCHMSA-N 0 3 322.408 3.445 20 30 DGEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000070975818 400364781 /nfs/dbraw/zinc/36/47/81/400364781.db2.gz DLLQNFWUUOEMGU-LJQANCHMSA-N 0 3 322.408 3.445 20 30 DGEDHN Cc1ccc(CN2CC[C@H](NC(=O)CCCCCC#N)C2)cc1 ZINC000601880074 400370456 /nfs/dbraw/zinc/37/04/56/400370456.db2.gz CIPSKGOEURXQGP-SFHVURJKSA-N 0 3 313.445 3.160 20 30 DGEDHN Cc1cc(NC[C@H]2CCN2C(C)(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596309156 400377094 /nfs/dbraw/zinc/37/70/94/400377094.db2.gz PFCGYDCNLDCFOD-CQSZACIVSA-N 0 3 302.378 3.060 20 30 DGEDHN CC(C)N1CCCC[C@@H]1Cn1cc(C#N)c2ccccc2c1=O ZINC000596315103 400378338 /nfs/dbraw/zinc/37/83/38/400378338.db2.gz WVVPXSBOCBWXDQ-MRXNPFEDSA-N 0 3 309.413 3.136 20 30 DGEDHN CC(=O)N1CCCCC[C@H]1C1CCN(CCC(C)(C)C#N)CC1 ZINC000611462460 400404455 /nfs/dbraw/zinc/40/44/55/400404455.db2.gz BMANXRQNHYALKU-SFHVURJKSA-N 0 3 319.493 3.429 20 30 DGEDHN CCC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000073020624 400425016 /nfs/dbraw/zinc/42/50/16/400425016.db2.gz UEJMYBNOLOSEPW-UHFFFAOYSA-N 0 3 315.461 3.275 20 30 DGEDHN Cc1ccc(C#N)cc1NCc1ccc(OCCN(C)C)cc1 ZINC000611530329 400416816 /nfs/dbraw/zinc/41/68/16/400416816.db2.gz HAXXEFYTYFWOKP-UHFFFAOYSA-N 0 3 309.413 3.419 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000611675937 400436199 /nfs/dbraw/zinc/43/61/99/400436199.db2.gz VCAZKNYZBVLTMT-SFHVURJKSA-N 0 3 315.461 3.453 20 30 DGEDHN COC(=O)c1ccccc1OCCN[C@@H](C)c1cccc(C#N)c1 ZINC000611798278 400454065 /nfs/dbraw/zinc/45/40/65/400454065.db2.gz LPFHGSSYJSFAJH-AWEZNQCLSA-N 0 3 324.380 3.074 20 30 DGEDHN COC(=O)c1ccccc1OCCN[C@H](C)c1cccc(C#N)c1 ZINC000611798279 400454672 /nfs/dbraw/zinc/45/46/72/400454672.db2.gz LPFHGSSYJSFAJH-CQSZACIVSA-N 0 3 324.380 3.074 20 30 DGEDHN C[C@H](CCN1CCC[C@](C)(C#N)C1)N1CCC[C@](C)(C#N)C1 ZINC000612162360 400501509 /nfs/dbraw/zinc/50/15/09/400501509.db2.gz JQPDWQMQAMKDJX-KZNAEPCWSA-N 0 3 302.466 3.016 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000591256293 400504046 /nfs/dbraw/zinc/50/40/46/400504046.db2.gz MIZVWHBQLOZBSJ-OWCLPIDISA-N 0 3 306.356 3.074 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000043329860 400463496 /nfs/dbraw/zinc/46/34/96/400463496.db2.gz JPJKIDRXPXYIJI-UHFFFAOYSA-N 0 3 322.412 3.154 20 30 DGEDHN CN(Cc1cccc(C#N)n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000602474086 400471839 /nfs/dbraw/zinc/47/18/39/400471839.db2.gz QFMZIYXDAWUTHJ-LJQANCHMSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000591022917 400476829 /nfs/dbraw/zinc/47/68/29/400476829.db2.gz ACUVLLSMELPHOG-UGSOOPFHSA-N 0 3 305.381 3.162 20 30 DGEDHN C[C@@H](CCC#N)CNc1ccccc1CN1CCC(CO)CC1 ZINC000602488903 400477437 /nfs/dbraw/zinc/47/74/37/400477437.db2.gz BTZPDPKKASPWCV-INIZCTEOSA-N 0 3 315.461 3.243 20 30 DGEDHN C=C[C@H](CC(=O)N(CC)[C@H]1CCN(CC)C1)c1ccccc1 ZINC000617926349 400479395 /nfs/dbraw/zinc/47/93/95/400479395.db2.gz BOSLVDKGMWUEHO-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C#Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000043985639 400482856 /nfs/dbraw/zinc/48/28/56/400482856.db2.gz FIAOBQLQJZPWDW-LJQANCHMSA-N 0 3 319.408 3.064 20 30 DGEDHN CCOc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602514037 400485037 /nfs/dbraw/zinc/48/50/37/400485037.db2.gz KNIHYFUVSWOVKL-HNNXBMFYSA-N 0 3 302.418 3.274 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1cccc(Cl)c1 ZINC000602519639 400486992 /nfs/dbraw/zinc/48/69/92/400486992.db2.gz CLNAFRWIWMARGT-AWEZNQCLSA-N 0 3 322.836 3.407 20 30 DGEDHN C=CCOc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602549561 400494219 /nfs/dbraw/zinc/49/42/19/400494219.db2.gz DRPMGELOVLVTBG-MRXNPFEDSA-N 0 3 314.429 3.440 20 30 DGEDHN C[C@H](CNCc1cccc(C#N)n1)Oc1ccccc1Cl ZINC000602557917 400496066 /nfs/dbraw/zinc/49/60/66/400496066.db2.gz MLXYIJLQLCHKIM-GFCCVEGCSA-N 0 3 301.777 3.164 20 30 DGEDHN COc1cc(OC)cc(OCCCN(C)CC2(CC#N)CC2)c1 ZINC000602788310 400574554 /nfs/dbraw/zinc/57/45/54/400574554.db2.gz NMFNTTNDPUQQRZ-UHFFFAOYSA-N 0 3 318.417 3.098 20 30 DGEDHN N#CCC1(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602788465 400574746 /nfs/dbraw/zinc/57/47/46/400574746.db2.gz XWXQKPZTSOUVCT-UHFFFAOYSA-N 0 3 315.373 3.132 20 30 DGEDHN C[C@@H](CCC#N)CN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000602628947 400516947 /nfs/dbraw/zinc/51/69/47/400516947.db2.gz ZZLKARGZRNJZSA-RYUDHWBXSA-N 0 3 302.353 3.466 20 30 DGEDHN CCN(C(=O)[C@H](C)CC#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000596886768 400518732 /nfs/dbraw/zinc/51/87/32/400518732.db2.gz PULOLFGRAPSZRP-RYRKJORJSA-N 0 3 313.445 3.220 20 30 DGEDHN CCO[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602637635 400519736 /nfs/dbraw/zinc/51/97/36/400519736.db2.gz NMDJYULNZSGKKR-FUHWJXTLSA-N 0 3 316.445 3.453 20 30 DGEDHN CO[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000602641913 400520863 /nfs/dbraw/zinc/52/08/63/400520863.db2.gz VBMMMRSFGJBCBY-QUCCMNQESA-N 0 3 306.409 3.393 20 30 DGEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000591417832 400522199 /nfs/dbraw/zinc/52/21/99/400522199.db2.gz OUVHMQAJWBRLDQ-LBPRGKRZSA-N 0 3 314.414 3.390 20 30 DGEDHN COc1cccc(-c2noc([C@H](C)NC[C@H](C)CCC#N)n2)c1 ZINC000602647082 400523614 /nfs/dbraw/zinc/52/36/14/400523614.db2.gz SIRFBRPTVNCKAB-OLZOCXBDSA-N 0 3 314.389 3.336 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)Nc1ccc(CN(C)C)cc1F ZINC000602689386 400539401 /nfs/dbraw/zinc/53/94/01/400539401.db2.gz GONSGOKYGMTGIV-CQSZACIVSA-N 0 3 319.424 3.398 20 30 DGEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597080749 400553234 /nfs/dbraw/zinc/55/32/34/400553234.db2.gz MSXHPWCBDFHAON-AWEZNQCLSA-N 0 3 312.413 3.015 20 30 DGEDHN C[C@@H](OC[C@@H](O)CNCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591764329 400554109 /nfs/dbraw/zinc/55/41/09/400554109.db2.gz DTPQNTZJWPBBPP-CJNGLKHVSA-N 0 3 322.836 3.062 20 30 DGEDHN N#CC1(c2ccc(CN3CC[C@@H](Oc4ccncc4)C3)cc2)CC1 ZINC000597117865 400562690 /nfs/dbraw/zinc/56/26/90/400562690.db2.gz YALUHLXJDSIWBV-LJQANCHMSA-N 0 3 319.408 3.290 20 30 DGEDHN CCOc1ccc(OCCN(C)Cc2ccc(C#N)cc2)cc1 ZINC000046526477 400569771 /nfs/dbraw/zinc/56/97/71/400569771.db2.gz HKHQIBBHJXIHBV-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN Cc1ncc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000602957923 400614619 /nfs/dbraw/zinc/61/46/19/400614619.db2.gz WRKJRPABDVCEJD-LLVKDONJSA-N 0 3 314.414 3.003 20 30 DGEDHN C=CC[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075938799 400621818 /nfs/dbraw/zinc/62/18/18/400621818.db2.gz GFGDKDHQURGOAF-UHFFFAOYSA-N 0 3 316.426 3.105 20 30 DGEDHN C=CC[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075938799 400621821 /nfs/dbraw/zinc/62/18/21/400621821.db2.gz GFGDKDHQURGOAF-UHFFFAOYSA-N 0 3 316.426 3.105 20 30 DGEDHN COc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1OC(F)F ZINC000618562214 400623385 /nfs/dbraw/zinc/62/33/85/400623385.db2.gz NSLFOQVUYFLDTG-AAEUAGOBSA-N 0 3 310.344 3.469 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccsc2)CC1 ZINC000592298599 400634433 /nfs/dbraw/zinc/63/44/33/400634433.db2.gz MYBJHCJUQYMIQO-CQSZACIVSA-N 0 3 321.490 3.019 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H](C)C1CC1)C(C)C ZINC000612728661 400592396 /nfs/dbraw/zinc/59/23/96/400592396.db2.gz HANFRUVKBJCFDB-DOTOQJQBSA-N 0 3 307.482 3.125 20 30 DGEDHN COc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)ccc1C#N ZINC000597226731 400592836 /nfs/dbraw/zinc/59/28/36/400592836.db2.gz XGOQGAZHLKBTMQ-ZWKOTPCHSA-N 0 3 314.429 3.348 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000592068632 400602287 /nfs/dbraw/zinc/60/22/87/400602287.db2.gz IDTFSLMTTJVUBL-UHFFFAOYSA-N 0 3 317.820 3.202 20 30 DGEDHN CC[C@@](C)(NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000602925031 400609168 /nfs/dbraw/zinc/60/91/68/400609168.db2.gz GLGBLTHOENXLOV-MSOLQXFVSA-N 0 3 319.424 3.095 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H]4CCC[C@@H]43)o2)c1 ZINC000075768739 400611701 /nfs/dbraw/zinc/61/17/01/400611701.db2.gz HNSWHADQKDSDJI-ZBFHGGJFSA-N 0 3 308.385 3.373 20 30 DGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597585967 400649032 /nfs/dbraw/zinc/64/90/32/400649032.db2.gz ZFZSVCDNVFIVFO-HNNXBMFYSA-N 0 3 305.466 3.087 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1nc(C)c(C)o1)C(C)C ZINC000148958804 400657617 /nfs/dbraw/zinc/65/76/17/400657617.db2.gz NPQLCDVMOUHXOF-HNNXBMFYSA-N 0 3 320.437 3.112 20 30 DGEDHN CN(c1ccccc1)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592524685 400663595 /nfs/dbraw/zinc/66/35/95/400663595.db2.gz ZBPJLQSIZCJDQJ-FQEVSTJZSA-N 0 3 321.424 3.305 20 30 DGEDHN CC(C)[C@H](c1ccccc1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000592501279 400659515 /nfs/dbraw/zinc/65/95/15/400659515.db2.gz RAKPSSHKTWZQCE-GOSISDBHSA-N 0 3 319.412 3.430 20 30 DGEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603251829 400660871 /nfs/dbraw/zinc/66/08/71/400660871.db2.gz VXAQZAWIVKYVGG-MRXNPFEDSA-N 0 3 311.433 3.173 20 30 DGEDHN CCCOc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000049406656 400668807 /nfs/dbraw/zinc/66/88/07/400668807.db2.gz LUFRDTXVMCDINB-MRXNPFEDSA-N 0 3 309.369 3.372 20 30 DGEDHN CC(C)N(C(=O)[C@H](C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597806888 400675430 /nfs/dbraw/zinc/67/54/30/400675430.db2.gz MQCBMKUZUDTURS-SJLPKXTDSA-N 0 3 313.445 3.048 20 30 DGEDHN Cc1cccc2ncc(CN[C@H]3CCc4cc(C#N)ccc43)n21 ZINC000618742947 400680517 /nfs/dbraw/zinc/68/05/17/400680517.db2.gz UDUGHQDKXBBIMW-SFHVURJKSA-N 0 3 302.381 3.292 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@](C)(O)c2ccsc2)cc1 ZINC000077460920 400719059 /nfs/dbraw/zinc/71/90/59/400719059.db2.gz GTHMFMFKPPINPZ-GOSISDBHSA-N 0 3 315.438 3.148 20 30 DGEDHN N#Cc1cncc(-c2cccc(OCCN3CCCCC3)c2)c1 ZINC000592984202 400726743 /nfs/dbraw/zinc/72/67/43/400726743.db2.gz NHENHOBYAAPXMU-UHFFFAOYSA-N 0 3 307.397 3.485 20 30 DGEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000592995676 400728866 /nfs/dbraw/zinc/72/88/66/400728866.db2.gz DPIUOJGMLMONED-STQMWFEESA-N 0 3 312.291 3.244 20 30 DGEDHN C=C(Cl)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000077604120 400730981 /nfs/dbraw/zinc/73/09/81/400730981.db2.gz GDWJNVUEVUREAY-AWEZNQCLSA-N 0 3 321.852 3.264 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000165719177 400752042 /nfs/dbraw/zinc/75/20/42/400752042.db2.gz QECZHBKOMDUEGJ-IEBWSBKVSA-N 0 3 315.461 3.418 20 30 DGEDHN C[C@@H](CNc1c(C#N)nnc2ccccc21)N1CCC[C@H](C)C1 ZINC000077189797 400693259 /nfs/dbraw/zinc/69/32/59/400693259.db2.gz QXQRGQKLBSEPLD-KBPBESRZSA-N 0 3 309.417 3.034 20 30 DGEDHN C=CCCSCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000597972837 400707795 /nfs/dbraw/zinc/70/77/95/400707795.db2.gz VZPKJTYZBOMIFO-UHFFFAOYSA-N 0 3 318.486 3.322 20 30 DGEDHN CSCC1(CCNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000597988289 400714460 /nfs/dbraw/zinc/71/44/60/400714460.db2.gz LVBRNNNGNWFDBX-INIZCTEOSA-N 0 3 316.470 3.408 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000052050621 400715180 /nfs/dbraw/zinc/71/51/80/400715180.db2.gz YUHAMHPZPZTTJB-VNHYZAJKSA-N 0 3 317.458 3.097 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597993901 400715296 /nfs/dbraw/zinc/71/52/96/400715296.db2.gz DQKCGNHQSDAJQI-ZWKOTPCHSA-N 0 3 307.397 3.055 20 30 DGEDHN C[C@@H](NC1(C2CCC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000593079309 400755878 /nfs/dbraw/zinc/75/58/78/400755878.db2.gz FRFRMZXNIBNUFH-OAHLLOKOSA-N 0 3 311.429 3.244 20 30 DGEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1nc(C(C)(C)C)ccc1C#N ZINC000613427289 400716744 /nfs/dbraw/zinc/71/67/44/400716744.db2.gz ZCEOHCWYDYTIME-DZGCQCFKSA-N 0 3 300.450 3.027 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H](CC)c2ccccc2)CC1 ZINC000171702155 400804401 /nfs/dbraw/zinc/80/44/01/400804401.db2.gz VXGSBLKLHHWLDQ-INIZCTEOSA-N 0 3 315.461 3.130 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000598401876 400804764 /nfs/dbraw/zinc/80/47/64/400804764.db2.gz YFLVZIDYUBLKFM-MOPGFXCFSA-N 0 3 321.424 3.279 20 30 DGEDHN N#CC(C(=O)c1cnn2ccccc12)c1ccc2ccccc2n1 ZINC000604929794 400816056 /nfs/dbraw/zinc/81/60/56/400816056.db2.gz VRYVDQJQAPCMEL-AWEZNQCLSA-N 0 3 312.332 3.373 20 30 DGEDHN CCn1cc(CN(CCOc2ccc(C#N)cc2)C(C)C)cn1 ZINC000593082339 400757131 /nfs/dbraw/zinc/75/71/31/400757131.db2.gz RGNUJUSNOWZGGD-UHFFFAOYSA-N 0 3 312.417 3.064 20 30 DGEDHN C=CCNC(=O)CN[C@H](CC)CSc1ccc(Cl)cc1 ZINC000180028881 400881599 /nfs/dbraw/zinc/88/15/99/400881599.db2.gz WXJYRBYRBNFQSI-CYBMUJFWSA-N 0 3 312.866 3.103 20 30 DGEDHN C=CCCN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180469107 400883885 /nfs/dbraw/zinc/88/38/85/400883885.db2.gz AXHWSWCKJHHQLM-JTQLQIEISA-N 0 3 312.207 3.447 20 30 DGEDHN COc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1C ZINC000598502329 400825867 /nfs/dbraw/zinc/82/58/67/400825867.db2.gz LIWMQCKLFZZXMS-KRWDZBQOSA-N 0 3 322.408 3.392 20 30 DGEDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598589695 400836808 /nfs/dbraw/zinc/83/68/08/400836808.db2.gz KONPCVHSZHOUSY-HOCLYGCPSA-N 0 3 302.418 3.133 20 30 DGEDHN Cc1nc([C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)sc1C ZINC000598588650 400836914 /nfs/dbraw/zinc/83/69/14/400836914.db2.gz ANCUFEBXKNKFFA-GJZGRUSLSA-N 0 3 321.490 3.240 20 30 DGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598586852 400837319 /nfs/dbraw/zinc/83/73/19/400837319.db2.gz JGINMMBANFPXII-DOTOQJQBSA-N 0 3 302.418 3.133 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000598619011 400844668 /nfs/dbraw/zinc/84/46/68/400844668.db2.gz UREKXGLPWHUQDK-GOEBONIOSA-N 0 3 306.837 3.430 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000598613094 400844681 /nfs/dbraw/zinc/84/46/81/400844681.db2.gz DMVFCKLKYFALMK-OLZOCXBDSA-N 0 3 318.383 3.342 20 30 DGEDHN CC(C)[C@@H](NC1CCN(CC#N)CC1)c1cc(F)ccc1F ZINC000619465578 400852958 /nfs/dbraw/zinc/85/29/58/400852958.db2.gz DTGGSQGXXDYIGF-QGZVFWFLSA-N 0 3 307.388 3.239 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3F)CC2)cc1 ZINC000055172521 400856695 /nfs/dbraw/zinc/85/66/95/400856695.db2.gz NOSLKWVVPMIOBR-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN CC[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000593479893 400860943 /nfs/dbraw/zinc/86/09/43/400860943.db2.gz KTFRDSKNJNEYPQ-CGTJXYLNSA-N 0 3 313.445 3.048 20 30 DGEDHN N#CCC1(CNCc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000619530038 400861874 /nfs/dbraw/zinc/86/18/74/400861874.db2.gz BFDFPLBRKAEYDV-UHFFFAOYSA-N 0 3 314.820 3.368 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@@H](O)CC(C)(C)C#N ZINC000598713813 400863548 /nfs/dbraw/zinc/86/35/48/400863548.db2.gz DIAWYHYNINWJLU-DZGCQCFKSA-N 0 3 304.434 3.492 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1C(F)(F)F ZINC000598716170 400863580 /nfs/dbraw/zinc/86/35/80/400863580.db2.gz ZAVZSFWCOAGBNO-GFCCVEGCSA-N 0 3 300.324 3.096 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000598726776 400866981 /nfs/dbraw/zinc/86/69/81/400866981.db2.gz BIWIOCKQLTYLHN-MLGOLLRUSA-N 0 3 308.372 3.233 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)CC)CC1 ZINC000606681903 400946511 /nfs/dbraw/zinc/94/65/11/400946511.db2.gz ADVYJVBYZCTCFP-DOTOQJQBSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)CC)CC1 ZINC000606681904 400946577 /nfs/dbraw/zinc/94/65/77/400946577.db2.gz ADVYJVBYZCTCFP-NVXWUHKLSA-N 0 3 307.482 3.247 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000181794481 400889705 /nfs/dbraw/zinc/88/97/05/400889705.db2.gz GEZUPIFBDFXCKC-FUHWJXTLSA-N 0 3 315.461 3.372 20 30 DGEDHN NC(=O)C[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000182033945 400890999 /nfs/dbraw/zinc/89/09/99/400890999.db2.gz RHAZGCRPUHGJMJ-QGZVFWFLSA-N 0 3 318.848 3.105 20 30 DGEDHN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000593708311 400896872 /nfs/dbraw/zinc/89/68/72/400896872.db2.gz SMDCMPQLOPZHFA-WMZOPIPTSA-N 0 3 315.461 3.154 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182882519 400898534 /nfs/dbraw/zinc/89/85/34/400898534.db2.gz XRGSRFMENJMSAY-GUYCJALGSA-N 0 3 317.408 3.298 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000183806325 400902496 /nfs/dbraw/zinc/90/24/96/400902496.db2.gz PWRPBSUPROVYLT-CGTJXYLNSA-N 0 3 319.493 3.247 20 30 DGEDHN CC[C@@H](NCc1ccc2oc(=O)n(C)c2c1)c1ccc(C#N)cc1 ZINC000599078610 400952698 /nfs/dbraw/zinc/95/26/98/400952698.db2.gz DJESOTLHTLTMJZ-MRXNPFEDSA-N 0 3 321.380 3.244 20 30 DGEDHN C[C@@H](CN1CCN(c2oc(C3CC3)nc2C#N)CC1)C(C)(C)C ZINC000619843836 400909751 /nfs/dbraw/zinc/90/97/51/400909751.db2.gz RWKVKLXMJIJSLQ-ZDUSSCGKSA-N 0 3 316.449 3.228 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000606923198 400983571 /nfs/dbraw/zinc/98/35/71/400983571.db2.gz IOADYNZJLGESIE-SJORKVTESA-N 0 3 309.498 3.495 20 30 DGEDHN COC(=O)CCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599317002 401019582 /nfs/dbraw/zinc/01/95/82/401019582.db2.gz UDZJGBFXTLQMGV-UHFFFAOYSA-N 0 3 300.402 3.032 20 30 DGEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512626 401062536 /nfs/dbraw/zinc/06/25/36/401062536.db2.gz LKHBFCRYHNFWCU-BETUJISGSA-N 0 3 321.371 3.110 20 30 DGEDHN C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)N1CCCCCC1 ZINC000081408446 401062732 /nfs/dbraw/zinc/06/27/32/401062732.db2.gz BKOWBJCTZZVTEP-MAUKXSAKSA-N 0 3 305.466 3.230 20 30 DGEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594433248 401067651 /nfs/dbraw/zinc/06/76/51/401067651.db2.gz MTFPADCNJQUZJB-ZWKOTPCHSA-N 0 3 315.461 3.186 20 30 DGEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1Cl ZINC000594435976 401069780 /nfs/dbraw/zinc/06/97/80/401069780.db2.gz GFOFUEBZDDCASS-HNNXBMFYSA-N 0 3 321.852 3.145 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000594440999 401070295 /nfs/dbraw/zinc/07/02/95/401070295.db2.gz KNMRORICMXSAES-ZDUSSCGKSA-N 0 3 316.792 3.238 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000081532322 401075528 /nfs/dbraw/zinc/07/55/28/401075528.db2.gz FHWRVBCPFYASFQ-FQEVSTJZSA-N 0 3 305.425 3.265 20 30 DGEDHN Cc1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)cc1C#N ZINC000599332000 401025215 /nfs/dbraw/zinc/02/52/15/401025215.db2.gz OUGNZYCAOJRNES-INIZCTEOSA-N 0 3 321.428 3.173 20 30 DGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)c1 ZINC000599349521 401029911 /nfs/dbraw/zinc/02/99/11/401029911.db2.gz IZVWHNANXIEFLU-GDBMZVCRSA-N 0 3 302.418 3.179 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000633625859 401030309 /nfs/dbraw/zinc/03/03/09/401030309.db2.gz KDCXMGXVGUHWGC-SFHVURJKSA-N 0 3 312.457 3.118 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NC[C@@H](O)COc2ccccc2C#N)c1 ZINC000599358452 401033866 /nfs/dbraw/zinc/03/38/66/401033866.db2.gz DEHJQGJKDOUDOV-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(C)[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599367919 401035215 /nfs/dbraw/zinc/03/52/15/401035215.db2.gz OONOITAGFHFNPD-BBRMVZONSA-N 0 3 306.356 3.226 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)c1ccco1)C(C)C ZINC000607650058 401101300 /nfs/dbraw/zinc/10/13/00/401101300.db2.gz GIVVHUQZUPAWHE-CVEARBPZSA-N 0 3 304.434 3.198 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCCCC#N ZINC000060366561 401110268 /nfs/dbraw/zinc/11/02/68/401110268.db2.gz QJIQZDBUFREKRG-CABCVRRESA-N 0 3 309.454 3.448 20 30 DGEDHN COC[C@@H](C)N(Cc1ccnc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000599683308 401114516 /nfs/dbraw/zinc/11/45/16/401114516.db2.gz QVPLTILSGOXVHX-QRWLVFNGSA-N 0 3 321.424 3.478 20 30 DGEDHN Cc1c(Cl)cnc(N[C@@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594596970 401122030 /nfs/dbraw/zinc/12/20/30/401122030.db2.gz BRCVPFCCJSBFOF-CABCVRRESA-N 0 3 304.825 3.344 20 30 DGEDHN Cc1cccc([C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)c1 ZINC000599627215 401095408 /nfs/dbraw/zinc/09/54/08/401095408.db2.gz KDUGZWBSKWJDKI-MOPGFXCFSA-N 0 3 313.445 3.090 20 30 DGEDHN CC(C)CCOCCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632179 401097122 /nfs/dbraw/zinc/09/71/22/401097122.db2.gz RTGYMSWFJYGYJE-UHFFFAOYSA-N 0 3 316.445 3.216 20 30 DGEDHN CC(C)[C@@H](CNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000594519431 401097221 /nfs/dbraw/zinc/09/72/21/401097221.db2.gz QVGZZBVFPNFMDY-CQSZACIVSA-N 0 3 308.447 3.323 20 30 DGEDHN CC(C)[C@H](CNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000594520295 401097553 /nfs/dbraw/zinc/09/75/53/401097553.db2.gz ZDQYBRHUMBPPNE-AWEZNQCLSA-N 0 3 308.447 3.323 20 30 DGEDHN CSCc1cnc(CNCCc2ccc(C#N)cc2)s1 ZINC000594955662 401205733 /nfs/dbraw/zinc/20/57/33/401205733.db2.gz RHQVUPZCNKEXSU-UHFFFAOYSA-N 0 3 303.456 3.210 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CCCC1 ZINC000065930788 401286009 /nfs/dbraw/zinc/28/60/09/401286009.db2.gz CUEGFTACZXJOCH-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100850 401299675 /nfs/dbraw/zinc/29/96/75/401299675.db2.gz AMIFIZHPZVYRHR-GJZGRUSLSA-N 0 3 318.244 3.334 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CCC)s2)CC1 ZINC000630941281 401357808 /nfs/dbraw/zinc/35/78/08/401357808.db2.gz CDBIFRSNKPSZBB-UHFFFAOYSA-N 0 3 306.475 3.471 20 30 DGEDHN C=CCOc1ccc(CNCCN(C)CC(F)F)cc1Cl ZINC000623831232 401584590 /nfs/dbraw/zinc/58/45/90/401584590.db2.gz ZGRAIKCPWIWTAW-UHFFFAOYSA-N 0 3 318.795 3.191 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623542421 401543033 /nfs/dbraw/zinc/54/30/33/401543033.db2.gz ZXAGIQBFZCSMFQ-CYBMUJFWSA-N 0 3 303.324 3.131 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CO[C@@H](C)C2)cc1OC ZINC000623559207 401546580 /nfs/dbraw/zinc/54/65/80/401546580.db2.gz VPTAPIYFWIJFIE-AAEUAGOBSA-N 0 3 311.809 3.180 20 30 DGEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424134168 292215210 /nfs/dbraw/zinc/21/52/10/292215210.db2.gz YAWLZDHKZMDODT-RCCFBDPRSA-N 0 3 313.445 3.111 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)cc1OC)C(C)C ZINC000186705010 165057088 /nfs/dbraw/zinc/05/70/88/165057088.db2.gz ZMTXCHVGEFJDGD-GOSISDBHSA-N 0 3 318.417 3.024 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000189348277 165157659 /nfs/dbraw/zinc/15/76/59/165157659.db2.gz LIYZMTHNFNQRRA-RHSMWYFYSA-N 0 3 308.381 3.391 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192218048 165287175 /nfs/dbraw/zinc/28/71/75/165287175.db2.gz ZTTRUMSMIGOXPA-GOSISDBHSA-N 0 3 312.388 3.387 20 30 DGEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCCCC(C)(C)C#N ZINC000444649134 287182565 /nfs/dbraw/zinc/18/25/65/287182565.db2.gz LIONHOHNVMGXRR-IAGOWNOFSA-N 0 3 307.482 3.428 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCC1 ZINC000190405761 432151528 /nfs/dbraw/zinc/15/15/28/432151528.db2.gz TXDBRGXOFGOPMP-QGZVFWFLSA-N 0 3 300.446 3.460 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000171698655 432161369 /nfs/dbraw/zinc/16/13/69/432161369.db2.gz PWJWKDMPKWRNLO-ZDUSSCGKSA-N 0 3 321.852 3.351 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 ZINC000171723548 432164696 /nfs/dbraw/zinc/16/46/96/432164696.db2.gz USAHSKWKIDMMJY-ZDUSSCGKSA-N 0 3 318.486 3.253 20 30 DGEDHN C=CCN1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000171725603 432165586 /nfs/dbraw/zinc/16/55/86/432165586.db2.gz ODXQUGIMEXTEQI-UHFFFAOYSA-N 0 3 324.877 3.199 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C(F)F)c2)CC1 ZINC000171728409 432165637 /nfs/dbraw/zinc/16/56/37/432165637.db2.gz ZWIWZMJVESCBGC-UHFFFAOYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000190509425 432166555 /nfs/dbraw/zinc/16/65/55/432166555.db2.gz NBMCGNHUYSQGRP-MRXNPFEDSA-N 0 3 310.507 3.067 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc3ncsc3c2)CC1 ZINC000171739877 432167135 /nfs/dbraw/zinc/16/71/35/432167135.db2.gz UAWZGYQZACVAMP-UHFFFAOYSA-N 0 3 316.430 3.068 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)ccc2Cl)CC1 ZINC000171738493 432167311 /nfs/dbraw/zinc/16/73/11/432167311.db2.gz WFFKBWJGDSKOEC-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC)cc2C)CC1 ZINC000171739043 432167387 /nfs/dbraw/zinc/16/73/87/432167387.db2.gz SDZYYGILWBJORF-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000246911500 432179621 /nfs/dbraw/zinc/17/96/21/432179621.db2.gz RQXPKPHOYHDHSQ-USXIJHARSA-N 0 3 300.377 3.135 20 30 DGEDHN C=CCOc1ccc(CN2CCSC[C@@H](C)C2)cc1OC ZINC000190844566 432193232 /nfs/dbraw/zinc/19/32/32/432193232.db2.gz RAIAVIRXKINTOW-AWEZNQCLSA-N 0 3 307.459 3.445 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190886519 432197069 /nfs/dbraw/zinc/19/70/69/432197069.db2.gz PJUXEJKXCGUESS-LBPRGKRZSA-N 0 3 321.311 3.268 20 30 DGEDHN C[C@@H](O)C[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000269797971 432209803 /nfs/dbraw/zinc/20/98/03/432209803.db2.gz LMFSRQSFBRFVBS-CJNGLKHVSA-N 0 3 311.347 3.292 20 30 DGEDHN CO[C@@H](C)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000191139305 432224715 /nfs/dbraw/zinc/22/47/15/432224715.db2.gz PYCZPYYGIHDSJV-HNNXBMFYSA-N 0 3 310.397 3.262 20 30 DGEDHN C[C@@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC000126912426 227001008 /nfs/dbraw/zinc/00/10/08/227001008.db2.gz DZJBNVQDOSTIQB-IOJLRTSASA-N 0 3 306.409 3.108 20 30 DGEDHN C[C@H](C[C@@H](O)c1ccco1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127788913 227006198 /nfs/dbraw/zinc/00/61/98/227006198.db2.gz IETKIFSPNDGETI-HCMQPCSISA-N 0 3 310.397 3.305 20 30 DGEDHN COc1cccc([C@H](C)N2CCN(CCCCC#N)CC2)c1 ZINC000171704426 228272717 /nfs/dbraw/zinc/27/27/17/228272717.db2.gz SCQKPUUEAZXQOE-INIZCTEOSA-N 0 3 301.434 3.068 20 30 DGEDHN C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CCN(CC#N)CC1 ZINC000180009894 228354405 /nfs/dbraw/zinc/35/44/05/228354405.db2.gz GTKWQGCHLVWNRY-QGZVFWFLSA-N 0 3 313.489 3.304 20 30 DGEDHN C[C@@H](O)c1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181563911 228363408 /nfs/dbraw/zinc/36/34/08/228363408.db2.gz ZGEMJXZAEVOQJP-HUUCEWRRSA-N 0 3 310.397 3.493 20 30 DGEDHN Cc1cccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000183713898 228375102 /nfs/dbraw/zinc/37/51/02/228375102.db2.gz RFTDUWHFPGXEKB-YJBOKZPZSA-N 0 3 301.434 3.009 20 30 DGEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000183713882 228375313 /nfs/dbraw/zinc/37/53/13/228375313.db2.gz RFTDUWHFPGXEKB-QAPCUYQASA-N 0 3 301.434 3.009 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000185830577 228398059 /nfs/dbraw/zinc/39/80/59/228398059.db2.gz REXBTZVDXVYMOD-KCQAQPDRSA-N 0 3 317.820 3.117 20 30 DGEDHN COc1cc(OC)c(CNCC(C)(C)CCC#N)c(OC)c1 ZINC000342327610 229111112 /nfs/dbraw/zinc/11/11/12/229111112.db2.gz ZZTKADUTYOZOAK-UHFFFAOYSA-N 0 3 306.406 3.132 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338295194 229061990 /nfs/dbraw/zinc/06/19/90/229061990.db2.gz IIVCXVLHYMLWEC-HZMBPMFUSA-N 0 3 314.282 3.262 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccn(C)c2C2CCC2)nc(C)n1 ZINC000344731706 229144447 /nfs/dbraw/zinc/14/44/47/229144447.db2.gz PUNFPHFKDSSZIU-OAHLLOKOSA-N 0 3 308.385 3.190 20 30 DGEDHN CC(C#N)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000345792441 229158007 /nfs/dbraw/zinc/15/80/07/229158007.db2.gz UVNCVRBBXJLFNW-VIFPVBQESA-N 0 3 301.173 3.038 20 30 DGEDHN CC(C#N)C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000346004901 229162474 /nfs/dbraw/zinc/16/24/74/229162474.db2.gz ROUIBLAOBBEGHY-JTQLQIEISA-N 0 3 309.207 3.046 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000345996298 229162833 /nfs/dbraw/zinc/16/28/33/229162833.db2.gz SCMPSKMWRFDWKS-LLVKDONJSA-N 0 3 303.724 3.376 20 30 DGEDHN COc1ccc(Br)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349799197 229218061 /nfs/dbraw/zinc/21/80/61/229218061.db2.gz HFSQPJLPFPDUAO-ZWNOBZJWSA-N 0 3 309.207 3.240 20 30 DGEDHN N#CC(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccncn1 ZINC000354456897 229295601 /nfs/dbraw/zinc/29/56/01/229295601.db2.gz BTJINWYYDCBBNI-CYBMUJFWSA-N 0 3 319.286 3.462 20 30 DGEDHN N#CC(C(=O)c1c2c(nc3ccccc31)CCC2)c1ccncn1 ZINC000354469311 229295950 /nfs/dbraw/zinc/29/59/50/229295950.db2.gz QMMRYCISKCYRIZ-AWEZNQCLSA-N 0 3 314.348 3.004 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cc(C)nc3ccccc32)nc(C)n1 ZINC000357552736 229351601 /nfs/dbraw/zinc/35/16/01/229351601.db2.gz YUAIIXHIDDICOO-MRXNPFEDSA-N 0 3 316.364 3.440 20 30 DGEDHN N#Cc1cnc(NC2CCN(CCc3ccccc3)CC2)c(F)c1 ZINC000413087323 230128278 /nfs/dbraw/zinc/12/82/78/230128278.db2.gz FAJDJHQHCYLGCY-UHFFFAOYSA-N 0 3 324.403 3.211 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353246177 265360542 /nfs/dbraw/zinc/36/05/42/265360542.db2.gz YXJYJURXQYPJNT-BLLLJJGKSA-N 0 3 300.402 3.255 20 30 DGEDHN N#Cc1ccccc1CN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355354675 266048941 /nfs/dbraw/zinc/04/89/41/266048941.db2.gz SIBVBXVPANPYIB-FQEVSTJZSA-N 0 3 306.409 3.128 20 30 DGEDHN N#Cc1csc(CN2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000355356873 266049033 /nfs/dbraw/zinc/04/90/33/266049033.db2.gz SIQUVIFLKSZSHA-SFHVURJKSA-N 0 3 312.438 3.189 20 30 DGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1Cl ZINC000394354492 266156886 /nfs/dbraw/zinc/15/68/86/266156886.db2.gz GJZYJZNBNXGTAR-CVEARBPZSA-N 0 3 303.837 3.270 20 30 DGEDHN CCNC(=O)CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363714424 266162496 /nfs/dbraw/zinc/16/24/96/266162496.db2.gz PSLSGSZCFDSTNV-HNNXBMFYSA-N 0 3 321.424 3.402 20 30 DGEDHN CC[C@H](C)[C@@H](C)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000355821568 266198211 /nfs/dbraw/zinc/19/82/11/266198211.db2.gz SCJLRWJZAYXIMH-LSDHHAIUSA-N 0 3 313.445 3.073 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)CCOc2cccc(C#N)c2)C1(C)C ZINC000354368897 266296563 /nfs/dbraw/zinc/29/65/63/266296563.db2.gz QHNHXXBUKHVRDI-DLBZAZTESA-N 0 3 302.418 3.072 20 30 DGEDHN C[C@H](NC(=O)c1ccc(C#N)s1)[C@@H](c1ccccc1)N(C)C ZINC000356229534 266324624 /nfs/dbraw/zinc/32/46/24/266324624.db2.gz LMOJWJBBUNSARI-LRDDRELGSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@H](NC(=O)c1ccc(C#N)s1)[C@H](c1ccccc1)N(C)C ZINC000356229526 266324978 /nfs/dbraw/zinc/32/49/78/266324978.db2.gz LMOJWJBBUNSARI-BLLLJJGKSA-N 0 3 313.426 3.041 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccco1 ZINC000359537715 266363264 /nfs/dbraw/zinc/36/32/64/266363264.db2.gz GYMXKFWWZRKPER-CJNGLKHVSA-N 0 3 311.385 3.010 20 30 DGEDHN C[C@@H]1CN(CCCNc2ccc3cc(C#N)ccc3n2)CCCO1 ZINC000617843280 425101416 /nfs/dbraw/zinc/10/14/16/425101416.db2.gz XUAGILUQQSHLOM-OAHLLOKOSA-N 0 3 324.428 3.019 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C)C2(CCC2)C1 ZINC000357023058 266794760 /nfs/dbraw/zinc/79/47/60/266794760.db2.gz KMSLXLBUNHRQOF-OAHLLOKOSA-N 0 3 314.429 3.458 20 30 DGEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000404042969 267105968 /nfs/dbraw/zinc/10/59/68/267105968.db2.gz ICOUZMRAMFBPRN-QRWLVFNGSA-N 0 3 323.415 3.450 20 30 DGEDHN C[C@@]1(O)CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000354033134 267120429 /nfs/dbraw/zinc/12/04/29/267120429.db2.gz IPQLPLGPKGTJDR-HXUWFJFHSA-N 0 3 322.408 3.094 20 30 DGEDHN CC(C(=O)Nc1cc(C#N)ccc1OC(F)F)C(F)(F)F ZINC000361616715 267134601 /nfs/dbraw/zinc/13/46/01/267134601.db2.gz OUQNDNPLCLMSGZ-ZCFIWIBFSA-N 0 3 308.206 3.297 20 30 DGEDHN CC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1cc(C)ccc1C ZINC000529676953 267196209 /nfs/dbraw/zinc/19/62/09/267196209.db2.gz XZMNIKVDLWIGHD-GOSISDBHSA-N 0 3 319.412 3.459 20 30 DGEDHN Cc1cc(N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C#N)cn1 ZINC000399557296 267341467 /nfs/dbraw/zinc/34/14/67/267341467.db2.gz DDBUUZFAMRWSKL-KRWDZBQOSA-N 0 3 320.440 3.363 20 30 DGEDHN COC(=O)CCC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000527482116 267359962 /nfs/dbraw/zinc/35/99/62/267359962.db2.gz JLRHJKABEZFCHO-AWEZNQCLSA-N 0 3 300.402 3.284 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000151354511 432239103 /nfs/dbraw/zinc/23/91/03/432239103.db2.gz KNBBFYXWWYOTMA-CTWPCTMYSA-N 0 3 308.510 3.146 20 30 DGEDHN N#Cc1ccc(C2=CCN(Cc3ccc(CO)cc3)CC2)cc1 ZINC000370368527 268055387 /nfs/dbraw/zinc/05/53/87/268055387.db2.gz USQGHKLPUBTPPA-UHFFFAOYSA-N 0 3 304.393 3.340 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCCCCC2)cc1 ZINC000279546351 268085449 /nfs/dbraw/zinc/08/54/49/268085449.db2.gz WDDPJJWUYCHAGF-KRWDZBQOSA-N 0 3 309.413 3.470 20 30 DGEDHN COc1ccccc1NC(=O)C[C@H](C)NCc1cccc(C#N)c1 ZINC000151396283 432244436 /nfs/dbraw/zinc/24/44/36/432244436.db2.gz AXJSYPSBCRUTCC-AWEZNQCLSA-N 0 3 323.396 3.074 20 30 DGEDHN CC1(C)CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191295465 432246900 /nfs/dbraw/zinc/24/69/00/432246900.db2.gz AMAKKANAXOSKOY-CQSZACIVSA-N 0 3 305.809 3.318 20 30 DGEDHN CCCN(CCN1CCCC1)c1nc(C)c(C#N)cc1Cl ZINC000359980645 269652726 /nfs/dbraw/zinc/65/27/26/269652726.db2.gz FHRMDKAKZLSZDP-UHFFFAOYSA-N 0 3 306.841 3.227 20 30 DGEDHN C=CCN1CCC(Nc2ccc(C#N)cc2Br)CC1 ZINC000270489862 432251014 /nfs/dbraw/zinc/25/10/14/432251014.db2.gz JZIKPTUJORIXBU-UHFFFAOYSA-N 0 3 320.234 3.383 20 30 DGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000183033597 432251713 /nfs/dbraw/zinc/25/17/13/432251713.db2.gz PIOJSPKEQSBKFV-SFHVURJKSA-N 0 3 307.397 3.111 20 30 DGEDHN C=CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000353658823 273484067 /nfs/dbraw/zinc/48/40/67/273484067.db2.gz JVCFWFOIEDJKSP-UHFFFAOYSA-N 0 3 302.809 3.319 20 30 DGEDHN COc1cc(CN[C@H]2CCCc3cc(N)ccc32)ccc1C#N ZINC000414908304 274094833 /nfs/dbraw/zinc/09/48/33/274094833.db2.gz BERGEZWRHWCBLL-SFHVURJKSA-N 0 3 307.397 3.316 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000192849575 274255592 /nfs/dbraw/zinc/25/55/92/274255592.db2.gz LDFKBZCKPAQZET-OLZOCXBDSA-N 0 3 308.385 3.461 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC12CCCC2)C(C)C ZINC000474697187 276890975 /nfs/dbraw/zinc/89/09/75/276890975.db2.gz NDHWJFWJMGUTQC-SJORKVTESA-N 0 3 304.478 3.382 20 30 DGEDHN CC(C)(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424083299 277251662 /nfs/dbraw/zinc/25/16/62/277251662.db2.gz CUDXSNWVGIJIKQ-HUUCEWRRSA-N 0 3 305.397 3.050 20 30 DGEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000361753506 277737967 /nfs/dbraw/zinc/73/79/67/277737967.db2.gz JXYWLJHGHFZTCJ-KGLIPLIRSA-N 0 3 310.344 3.207 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000355738956 277887127 /nfs/dbraw/zinc/88/71/27/277887127.db2.gz QROCEVISRNTHDN-HYVNUMGLSA-N 0 3 303.450 3.332 20 30 DGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCC(C)(C)CC#N)cc1 ZINC000418302203 278045618 /nfs/dbraw/zinc/04/56/18/278045618.db2.gz ZMCFWFADHXSDJV-INIZCTEOSA-N 0 3 316.449 3.049 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000115596776 278381685 /nfs/dbraw/zinc/38/16/85/278381685.db2.gz LTHXSKMQFPQKLA-BEFAXECRSA-N 0 3 319.408 3.404 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCC2(C#N)CCC2)CC1 ZINC000496043112 278394174 /nfs/dbraw/zinc/39/41/74/278394174.db2.gz PQJBJKJYPYRPMJ-AWEZNQCLSA-N 0 3 307.438 3.059 20 30 DGEDHN C[C@H](CNC(=O)Nc1ncc(C2CCCCC2)s1)N(C)C ZINC000330814140 279241336 /nfs/dbraw/zinc/24/13/36/279241336.db2.gz PVSGUUYOIQDJTC-LLVKDONJSA-N 0 3 310.467 3.467 20 30 DGEDHN CCN1CCC(Nc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428091434 279263094 /nfs/dbraw/zinc/26/30/94/279263094.db2.gz LPEMKXREHDQCCG-UHFFFAOYSA-N 0 3 312.461 3.463 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000111418765 279339524 /nfs/dbraw/zinc/33/95/24/279339524.db2.gz WVIAEOBPUIMHKW-OAHLLOKOSA-N 0 3 322.412 3.200 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000069606944 431203354 /nfs/dbraw/zinc/20/33/54/431203354.db2.gz MEJAAROQRJXKKG-DZGCQCFKSA-N 0 3 314.433 3.109 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000111257811 431203476 /nfs/dbraw/zinc/20/34/76/431203476.db2.gz GWWWNXTVRKYSGC-KBPBESRZSA-N 0 3 304.409 3.289 20 30 DGEDHN CC(C)C[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072492006 431333739 /nfs/dbraw/zinc/33/37/39/431333739.db2.gz NVWOQZNBRBIGSH-FUHWJXTLSA-N 0 3 311.429 3.032 20 30 DGEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000007786388 431364465 /nfs/dbraw/zinc/36/44/65/431364465.db2.gz LUUZSQVONCVMSF-UHFFFAOYSA-N 0 3 305.809 3.415 20 30 DGEDHN C=CCN(CC=C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000114724017 431406393 /nfs/dbraw/zinc/40/63/93/431406393.db2.gz HRIOFDKLPCFLHG-UHFFFAOYSA-N 0 3 315.442 3.111 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114749201 431410294 /nfs/dbraw/zinc/41/02/94/431410294.db2.gz DHELDIIEQJDMJM-HNAYVOBHSA-N 0 3 319.408 3.323 20 30 DGEDHN C=CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000116851300 431531430 /nfs/dbraw/zinc/53/14/30/431531430.db2.gz GJMUUZPZLWGOCG-GOEBONIOSA-N 0 3 304.409 3.119 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)CCc1cccs1 ZINC000075966047 431508106 /nfs/dbraw/zinc/50/81/06/431508106.db2.gz HRSVDHIQGFARPM-UHFFFAOYSA-N 0 3 316.426 3.182 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000462460350 280101783 /nfs/dbraw/zinc/10/17/83/280101783.db2.gz RTAYSAUCLYNYLN-SJLPKXTDSA-N 0 3 319.493 3.333 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)C[C@@H](c2ccccc2)N(C)C)c1 ZINC000416244511 280315098 /nfs/dbraw/zinc/31/50/98/280315098.db2.gz JGUSKFFDKJRJFI-SFHVURJKSA-N 0 3 307.397 3.498 20 30 DGEDHN C#CCN1CCC(C(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000078180902 431645457 /nfs/dbraw/zinc/64/54/57/431645457.db2.gz JGEMFOUDUGZCKP-UHFFFAOYSA-N 0 3 318.848 3.037 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC(c1ccccc1)c1ccccc1 ZINC000078586712 431686069 /nfs/dbraw/zinc/68/60/69/431686069.db2.gz UNFBNJRKUBCRCK-INIZCTEOSA-N 0 3 308.425 3.099 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027568901 431688444 /nfs/dbraw/zinc/68/84/44/431688444.db2.gz JNPSNCXUZCGTQM-GOSISDBHSA-N 0 3 319.408 3.409 20 30 DGEDHN C=CCCOCCNCc1cc(Br)ccc1OC ZINC000120833949 431734284 /nfs/dbraw/zinc/73/42/84/431734284.db2.gz LKVKGKOSAJHWMN-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN N#CCCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000120767736 431734531 /nfs/dbraw/zinc/73/45/31/431734531.db2.gz ZPIOBGMNJQSNRK-UHFFFAOYSA-N 0 3 311.351 3.127 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](COC)C2CC2)ccc1OC ZINC000121248250 431757997 /nfs/dbraw/zinc/75/79/97/431757997.db2.gz YNLQQTFGWPGYQV-MRXNPFEDSA-N 0 3 305.418 3.165 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000121254672 431761862 /nfs/dbraw/zinc/76/18/62/431761862.db2.gz XILNUEILZPWEKG-CQSZACIVSA-N 0 3 310.397 3.335 20 30 DGEDHN COc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1OCCCC#N ZINC000119997379 431722075 /nfs/dbraw/zinc/72/20/75/431722075.db2.gz GAZDWNIGISFUFA-GDBMZVCRSA-N 0 3 318.417 3.035 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](C)Cc2cccc(F)c2)CC1 ZINC000081355621 431788208 /nfs/dbraw/zinc/78/82/08/431788208.db2.gz WXMRKUAXRVAZRJ-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000121894737 431807831 /nfs/dbraw/zinc/80/78/31/431807831.db2.gz SZVXUMOODOMZAB-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN N#CC(C(=O)Nc1ccccn1)c1nc(-c2ccccc2)cs1 ZINC000121953567 431808965 /nfs/dbraw/zinc/80/89/65/431808965.db2.gz VMHKRTKFKRUKBL-ZDUSSCGKSA-N 0 3 320.377 3.451 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2SC(C)C)CC1 ZINC000122112189 431812099 /nfs/dbraw/zinc/81/20/99/431812099.db2.gz OBSPCMSCGMYMIZ-UHFFFAOYSA-N 0 3 316.470 3.471 20 30 DGEDHN COc1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122676304 431841598 /nfs/dbraw/zinc/84/15/98/431841598.db2.gz BUOZQVUGGLVPNY-ZDUSSCGKSA-N 0 3 305.337 3.072 20 30 DGEDHN CC(C)CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000088558098 431859156 /nfs/dbraw/zinc/85/91/56/431859156.db2.gz JFQFEVQZYKXJAD-KRWDZBQOSA-N 0 3 313.445 3.281 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 ZINC000041519093 431859539 /nfs/dbraw/zinc/85/95/39/431859539.db2.gz AGUXICZFPWQYNH-AWEZNQCLSA-N 0 3 308.366 3.127 20 30 DGEDHN CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041481000 431859763 /nfs/dbraw/zinc/85/97/63/431859763.db2.gz BMVDIEFAVUPTLU-HNNXBMFYSA-N 0 3 307.353 3.166 20 30 DGEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCC(=O)N(C)CCC#N)o1 ZINC000092798520 431912564 /nfs/dbraw/zinc/91/25/64/431912564.db2.gz ZPXTZQGZGQCSDJ-HOCLYGCPSA-N 0 3 317.433 3.123 20 30 DGEDHN COCC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093103568 431913367 /nfs/dbraw/zinc/91/33/67/431913367.db2.gz NWDVAVTZIWILRU-UHFFFAOYSA-N 0 3 302.418 3.228 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCSC(C)(C)C2)cc1 ZINC000093504547 431916304 /nfs/dbraw/zinc/91/63/04/431916304.db2.gz FQDDXRVXYNUKEN-UHFFFAOYSA-N 0 3 303.475 3.364 20 30 DGEDHN CC[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCS1 ZINC000093502297 431916521 /nfs/dbraw/zinc/91/65/21/431916521.db2.gz DATSOMRHEJWOLY-QGZVFWFLSA-N 0 3 303.475 3.364 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@]3(CCOC3)C2)ccc1OC ZINC000093820813 431916615 /nfs/dbraw/zinc/91/66/15/431916615.db2.gz YSAUNIJZLNKCNP-IBGZPJMESA-N 0 3 317.429 3.263 20 30 DGEDHN C#CCCOc1ccc(CN(C)CCc2nccs2)cc1 ZINC000093843963 431918227 /nfs/dbraw/zinc/91/82/27/431918227.db2.gz KIJXZKKYYFSEDU-UHFFFAOYSA-N 0 3 300.427 3.220 20 30 DGEDHN C=CCCOCCN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000090884029 431896729 /nfs/dbraw/zinc/89/67/29/431896729.db2.gz TUXOCINTQHKFSE-CQSZACIVSA-N 0 3 317.433 3.214 20 30 DGEDHN C=CCC[C@@H](O)CNC1(c2ccc(Br)cc2)CC1 ZINC000124886834 431907259 /nfs/dbraw/zinc/90/72/59/431907259.db2.gz DNHADOOATQSIJT-CQSZACIVSA-N 0 3 310.235 3.355 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000048711523 431931698 /nfs/dbraw/zinc/93/16/98/431931698.db2.gz NMIMWWXUMVVAFI-UHFFFAOYSA-N 0 3 302.381 3.093 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@H](O)c2ccc(F)cc2)C1 ZINC000125703695 431933878 /nfs/dbraw/zinc/93/38/78/431933878.db2.gz ZIWSPWVXBDOHDV-XBMUEBEBSA-N 0 3 310.372 3.073 20 30 DGEDHN CC[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000278356336 280945864 /nfs/dbraw/zinc/94/58/64/280945864.db2.gz BCDBMVQWBMZRRT-IRXDYDNUSA-N 0 3 300.402 3.285 20 30 DGEDHN N#Cc1ccc(CN(CCO)[C@H]2CCCc3ccccc32)s1 ZINC000126174589 431944572 /nfs/dbraw/zinc/94/45/72/431944572.db2.gz PJUCFEWINRLISC-SFHVURJKSA-N 0 3 312.438 3.492 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000126298984 431947408 /nfs/dbraw/zinc/94/74/08/431947408.db2.gz BZSIKJOXGITJPV-MRXNPFEDSA-N 0 3 305.466 3.231 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000355844243 281283449 /nfs/dbraw/zinc/28/34/49/281283449.db2.gz JVJWSWFSLWWHLP-QGZVFWFLSA-N 0 3 305.466 3.089 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@H]1C ZINC000248367711 432281486 /nfs/dbraw/zinc/28/14/86/432281486.db2.gz UJCHXSBDXHCFOZ-IJLUTSLNSA-N 0 3 305.809 3.269 20 30 DGEDHN Cn1cc(CNC[C@@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC000191617247 432284988 /nfs/dbraw/zinc/28/49/88/432284988.db2.gz USNBNKPOQSZTAA-HNNXBMFYSA-N 0 3 307.319 3.332 20 30 DGEDHN CCOC(=O)[C@](C)(CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000191633692 432285908 /nfs/dbraw/zinc/28/59/08/432285908.db2.gz ZSCMDUYOXDTHPL-HXUWFJFHSA-N 0 3 322.408 3.169 20 30 DGEDHN CC(C)CN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000102938667 432000932 /nfs/dbraw/zinc/00/09/32/432000932.db2.gz DMSWRYVRYRHIMC-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN CCCC1CCC(N(C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000191418381 432262932 /nfs/dbraw/zinc/26/29/32/432262932.db2.gz LCFFDZRKFYEKOW-JFUPDXTOSA-N 0 3 305.466 3.086 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000248877271 432325033 /nfs/dbraw/zinc/32/50/33/432325033.db2.gz REXBTZVDXVYMOD-VNHYZAJKSA-N 0 3 317.820 3.117 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000248877265 432325401 /nfs/dbraw/zinc/32/54/01/432325401.db2.gz REXBTZVDXVYMOD-NFAWXSAZSA-N 0 3 317.820 3.117 20 30 DGEDHN C[C@H](NCCCN(C)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271953906 432431748 /nfs/dbraw/zinc/43/17/48/432431748.db2.gz RXICKJREVNWDER-NSHDSACASA-N 0 3 317.330 3.232 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000272028008 432433072 /nfs/dbraw/zinc/43/30/72/432433072.db2.gz OLNSETLFEYLRLX-QGZVFWFLSA-N 0 3 313.445 3.211 20 30 DGEDHN CC[C@H]1Oc2cc([C@H](C)NCCC(C)(C)C#N)ccc2NC1=O ZINC000272030749 432433301 /nfs/dbraw/zinc/43/33/01/432433301.db2.gz OYYUAOWTULKHDI-SWLSCSKDSA-N 0 3 315.417 3.387 20 30 DGEDHN CCN(CCC(C)(C)C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000272008353 432433685 /nfs/dbraw/zinc/43/36/85/432433685.db2.gz JNXRDYVNLOEHJP-UHFFFAOYSA-N 0 3 301.434 3.150 20 30 DGEDHN CC(C)N(CC(=O)N(CCC#N)c1ccccc1)CC1CCC1 ZINC000193216580 432458022 /nfs/dbraw/zinc/45/80/22/432458022.db2.gz BIRHSRGDHBJZPA-UHFFFAOYSA-N 0 3 313.445 3.444 20 30 DGEDHN CC1(C)CC[C@@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1 ZINC000184667359 432419285 /nfs/dbraw/zinc/41/92/85/432419285.db2.gz WUXBAZTZMAFROU-SFHVURJKSA-N 0 3 314.429 3.359 20 30 DGEDHN C#CC[C@H](NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000271847036 432426968 /nfs/dbraw/zinc/42/69/68/432426968.db2.gz SDCMEUCVQVGIDH-INIZCTEOSA-N 0 3 311.381 3.264 20 30 DGEDHN COc1cc(OCCN(C)Cc2ccc(F)cc2)ccc1C#N ZINC000194508968 432557143 /nfs/dbraw/zinc/55/71/43/432557143.db2.gz NBZXVCHCBKDPFI-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN C[C@@H](NCCCC#N)c1ccc(I)cc1 ZINC000273189074 432562629 /nfs/dbraw/zinc/56/26/29/432562629.db2.gz GPCKCDCAWNZOCP-SNVBAGLBSA-N 0 3 314.170 3.246 20 30 DGEDHN CCCN(CCOCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000194308522 432539886 /nfs/dbraw/zinc/53/98/86/432539886.db2.gz KHRYSYJJXOFCBI-UHFFFAOYSA-N 0 3 300.324 3.349 20 30 DGEDHN CC(C)NC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185882022 432541782 /nfs/dbraw/zinc/54/17/82/432541782.db2.gz IWQBTRCWHDFERB-DOTOQJQBSA-N 0 3 314.433 3.388 20 30 DGEDHN COC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177284860 432607372 /nfs/dbraw/zinc/60/73/72/432607372.db2.gz RCTCRGXLQSPHEM-OAHLLOKOSA-N 0 3 311.347 3.415 20 30 DGEDHN C[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)N(C)C ZINC000264047518 432607747 /nfs/dbraw/zinc/60/77/47/432607747.db2.gz AKWOPUVWFWJUNR-CQSZACIVSA-N 0 3 323.396 3.030 20 30 DGEDHN CC[C@H](CN(CC)[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000186599093 432611834 /nfs/dbraw/zinc/61/18/34/432611834.db2.gz FDWNLPOCOSOXNN-DLBZAZTESA-N 0 3 315.461 3.263 20 30 DGEDHN COc1cccc([C@H](CNCc2ccc(C#N)s2)N(C)C)c1 ZINC000176940581 432568336 /nfs/dbraw/zinc/56/83/36/432568336.db2.gz IYCGGEYMDSLKRJ-KRWDZBQOSA-N 0 3 315.442 3.021 20 30 DGEDHN Cc1csc(NC(=O)C(C#N)c2nc(C(C)C)cs2)n1 ZINC000155756579 432571065 /nfs/dbraw/zinc/57/10/65/432571065.db2.gz ZPKDZTJIDHLRMB-SECBINFHSA-N 0 3 306.416 3.277 20 30 DGEDHN CN(C)CCOc1ccccc1CNc1cccc(F)c1C#N ZINC000263782788 432576532 /nfs/dbraw/zinc/57/65/32/432576532.db2.gz ZFALIRZJVMBSQA-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN CCC[C@@]1(COC)CCCN1Cc1cc(C#N)ccc1OC ZINC000194926826 432586911 /nfs/dbraw/zinc/58/69/11/432586911.db2.gz GFZMJSHBPSABAN-SFHVURJKSA-N 0 3 302.418 3.348 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186378532 432590182 /nfs/dbraw/zinc/59/01/82/432590182.db2.gz PQJKZWYYEHMUPA-SJLPKXTDSA-N 0 3 302.418 3.250 20 30 DGEDHN C=C(C)CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000156365290 432594660 /nfs/dbraw/zinc/59/46/60/432594660.db2.gz HWMRAWWICFEWEF-KRWDZBQOSA-N 0 3 301.434 3.007 20 30 DGEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OCCC(C)C)c1 ZINC000273460645 432600575 /nfs/dbraw/zinc/60/05/75/432600575.db2.gz HODLUXSJRIBMLA-INIZCTEOSA-N 0 3 307.434 3.147 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCN(C)C1CC1 ZINC000186782168 432629889 /nfs/dbraw/zinc/62/98/89/432629889.db2.gz LPKWQCZNNALQBA-UHFFFAOYSA-N 0 3 310.363 3.083 20 30 DGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000177856981 432668456 /nfs/dbraw/zinc/66/84/56/432668456.db2.gz DNRHUKOVEOTBLQ-BEFAXECRSA-N 0 3 323.415 3.450 20 30 DGEDHN C[C@@H](NCCCCC#N)c1ncc(Br)cc1F ZINC000187156322 432649983 /nfs/dbraw/zinc/64/99/83/432649983.db2.gz BCJCXNTVVMGKKT-SECBINFHSA-N 0 3 300.175 3.328 20 30 DGEDHN CCC1(CC)CN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000274323759 432650449 /nfs/dbraw/zinc/65/04/49/432650449.db2.gz PIJGZZWDCRNSLV-INIZCTEOSA-N 0 3 304.459 3.199 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000264515722 432653671 /nfs/dbraw/zinc/65/36/71/432653671.db2.gz VJHQYFCFGGJJPZ-UHFFFAOYSA-N 0 3 316.232 3.092 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)o2)CCN1C(=O)OC(C)(C)C ZINC000219467602 432663656 /nfs/dbraw/zinc/66/36/56/432663656.db2.gz COGGWKCOTDQSTG-OLZOCXBDSA-N 0 3 319.405 3.029 20 30 DGEDHN Cc1nn(C)cc1[C@@H](C)NCCSCc1ccccc1C#N ZINC000177821936 432664645 /nfs/dbraw/zinc/66/46/45/432664645.db2.gz MIEFYEPIJLVGEX-CYBMUJFWSA-N 0 3 314.458 3.184 20 30 DGEDHN COCCN(CCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000274640688 432693561 /nfs/dbraw/zinc/69/35/61/432693561.db2.gz JWSSCWLHLKBDAH-UHFFFAOYSA-N 0 3 316.445 3.213 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000265532299 432708066 /nfs/dbraw/zinc/70/80/66/432708066.db2.gz PTSNUHXESQRPHN-GFCCVEGCSA-N 0 3 322.811 3.002 20 30 DGEDHN N#Cc1c(Cl)nsc1N1CCC[C@@H]1CN1CCCCC1 ZINC000160432197 432721595 /nfs/dbraw/zinc/72/15/95/432721595.db2.gz VBVZKUMVJICDSJ-LLVKDONJSA-N 0 3 310.854 3.123 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000265229395 432677865 /nfs/dbraw/zinc/67/78/65/432677865.db2.gz UWLZSMYUEFOJDP-BEFAXECRSA-N 0 3 319.408 3.323 20 30 DGEDHN CC(C)CCOC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000177995188 432683555 /nfs/dbraw/zinc/68/35/55/432683555.db2.gz SWPRSDKHQVEYCB-IBGZPJMESA-N 0 3 316.445 3.119 20 30 DGEDHN CC(C)Oc1cccc([C@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000265331807 432690332 /nfs/dbraw/zinc/69/03/32/432690332.db2.gz WADQPPKCIPQZJV-LJQANCHMSA-N 0 3 310.397 3.169 20 30 DGEDHN Cc1nc(C)c(CNCc2ccc(N(C)CCC#N)cc2)s1 ZINC000266172401 432752359 /nfs/dbraw/zinc/75/23/59/432752359.db2.gz RRMIMNIWULAGRP-UHFFFAOYSA-N 0 3 314.458 3.400 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000189093590 432763256 /nfs/dbraw/zinc/76/32/56/432763256.db2.gz RKWKVFBVZLICLC-MOPGFXCFSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CCC(C)C)CC1 ZINC000178727507 432772181 /nfs/dbraw/zinc/77/21/81/432772181.db2.gz PNTRUPHMYNTAOE-KRWDZBQOSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000276200938 432782739 /nfs/dbraw/zinc/78/27/39/432782739.db2.gz YRPGKDJCJOQMLF-HNNXBMFYSA-N 0 3 321.490 3.178 20 30 DGEDHN C=CCN(CCOCC(F)(F)C(F)F)CCc1ccco1 ZINC000276143632 432775739 /nfs/dbraw/zinc/77/57/39/432775739.db2.gz AZGDNXDNFSUSBM-UHFFFAOYSA-N 0 3 309.303 3.227 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C2CCCC2)CC1 ZINC000178779128 432776647 /nfs/dbraw/zinc/77/66/47/432776647.db2.gz GVPLPFOWOCBBEP-UHFFFAOYSA-N 0 3 307.482 3.152 20 30 DGEDHN N#Cc1cccc(CNCCOc2ncc(Cl)cc2Cl)c1 ZINC000134474969 292670071 /nfs/dbraw/zinc/67/00/71/292670071.db2.gz XASMCESOXYQMRE-UHFFFAOYSA-N 0 3 322.195 3.429 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(OCC#N)cc2)C1(C)C ZINC000265857648 432738894 /nfs/dbraw/zinc/73/88/94/432738894.db2.gz JLEGRBBNIBGISF-DLBZAZTESA-N 0 3 302.418 3.224 20 30 DGEDHN C=CCN(CC=C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000244163628 432821144 /nfs/dbraw/zinc/82/11/44/432821144.db2.gz UZKNRUHYZLVBAD-UHFFFAOYSA-N 0 3 313.445 3.035 20 30 DGEDHN CC(C)Oc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000162349367 432821789 /nfs/dbraw/zinc/82/17/89/432821789.db2.gz RNVZKUVKQHBIRV-GFCCVEGCSA-N 0 3 320.352 3.235 20 30 DGEDHN COc1ccccc1[C@@H](CNc1cccc(C#N)n1)N1CCCC1 ZINC000267232767 432824237 /nfs/dbraw/zinc/82/42/37/432824237.db2.gz QITFWTCWWDTYEA-QGZVFWFLSA-N 0 3 322.412 3.211 20 30 DGEDHN N#CCOc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000276694845 432825082 /nfs/dbraw/zinc/82/50/82/432825082.db2.gz AROUTYCFPOLVPJ-SFHVURJKSA-N 0 3 308.381 3.462 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267272755 432829110 /nfs/dbraw/zinc/82/91/10/432829110.db2.gz ARPVBFSWPFQMDA-SJLPKXTDSA-N 0 3 300.446 3.370 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2COc3ccccc3C2)cc1 ZINC000237605645 432794272 /nfs/dbraw/zinc/79/42/72/432794272.db2.gz DYXVIRQYYRUQIY-PBHICJAKSA-N 0 3 308.381 3.071 20 30 DGEDHN N#Cc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000179002819 432794874 /nfs/dbraw/zinc/79/48/74/432794874.db2.gz RQXPKPHOYHDHSQ-PVAVHDDUSA-N 0 3 300.377 3.135 20 30 DGEDHN C(#CCN1CCC[C@@H]1c1ccc[nH]1)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000276364844 432801522 /nfs/dbraw/zinc/80/15/22/432801522.db2.gz ZSERYZCGDGWQRH-WOJBJXKFSA-N 0 3 322.456 3.320 20 30 DGEDHN C=CCCO[C@@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267073997 432811133 /nfs/dbraw/zinc/81/11/33/432811133.db2.gz ONOWWIKLIRVGNJ-ZDUSSCGKSA-N 0 3 301.390 3.452 20 30 DGEDHN C=CCCN(C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000276513849 432814354 /nfs/dbraw/zinc/81/43/54/432814354.db2.gz XYNIAAFXKWTLCF-UHFFFAOYSA-N 0 3 312.413 3.316 20 30 DGEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000245890725 432868412 /nfs/dbraw/zinc/86/84/12/432868412.db2.gz RPVIBDWFCHVCGT-WCQYABFASA-N 0 3 305.422 3.463 20 30 DGEDHN C[C@@H]1CN(CCCNc2c(Cl)cccc2C#N)CCCO1 ZINC000277773276 432875552 /nfs/dbraw/zinc/87/55/52/432875552.db2.gz WHXBWWPLDNCBSW-CYBMUJFWSA-N 0 3 307.825 3.124 20 30 DGEDHN C[C@@H]1CCCCN1CCNC(=O)CCc1cccc2c1OCO2 ZINC000329925209 432883782 /nfs/dbraw/zinc/88/37/82/432883782.db2.gz JRCXNVDDBZLGND-CQSZACIVSA-N 0 3 318.417 3.179 20 30 DGEDHN CN(CCCCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000278213157 432889860 /nfs/dbraw/zinc/88/98/60/432889860.db2.gz TWHOHRKINVMALY-OAHLLOKOSA-N 0 3 302.418 3.478 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)CCc2nc(C3CCCC3)no2)CCN1C ZINC000330032083 432890094 /nfs/dbraw/zinc/89/00/94/432890094.db2.gz UMBIJYUHNUJCHV-TZMCWYRMSA-N 0 3 320.437 3.099 20 30 DGEDHN C[C@H]1CCN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000288357974 432891442 /nfs/dbraw/zinc/89/14/42/432891442.db2.gz KNZRKCCFADVRDS-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H]1CN(CCCNc2ccc(Cl)cc2C#N)CCCO1 ZINC000277345923 432841045 /nfs/dbraw/zinc/84/10/45/432841045.db2.gz DEJDUYCTZVGMGJ-ZDUSSCGKSA-N 0 3 307.825 3.124 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288609363 432895079 /nfs/dbraw/zinc/89/50/79/432895079.db2.gz ZIILTJGYFVIBNC-NRFANRHFSA-N 0 3 324.468 3.161 20 30 DGEDHN C=CC[C@H]1N(C(=O)N[C@H](C)C2=CCN(C)CC2)CCCC1(C)C ZINC000278960747 432922204 /nfs/dbraw/zinc/92/22/04/432922204.db2.gz AQFUJTHRRADXML-NVXWUHKLSA-N 0 3 319.493 3.413 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](c2ccncc2)C1 ZINC000289326552 432944876 /nfs/dbraw/zinc/94/48/76/432944876.db2.gz KMXJAHPXRMDOFQ-GOSISDBHSA-N 0 3 307.397 3.212 20 30 DGEDHN C[S@](=O)C[C@@H](NCCCCC(C)(C)C#N)c1ccccc1 ZINC000278757871 432900256 /nfs/dbraw/zinc/90/02/56/432900256.db2.gz MMTMNMMQNWBDCX-IERDGZPVSA-N 0 3 306.475 3.416 20 30 DGEDHN C[C@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)Cn1cccn1 ZINC000330303491 432903691 /nfs/dbraw/zinc/90/36/91/432903691.db2.gz PHBLUAQKRFZTKX-NVXWUHKLSA-N 0 3 318.465 3.273 20 30 DGEDHN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(OCC#N)cc1 ZINC000280077252 433001904 /nfs/dbraw/zinc/00/19/04/433001904.db2.gz LMDNMPCLXMGIRS-GUYCJALGSA-N 0 3 310.401 3.051 20 30 DGEDHN CC1(C)CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280058273 433001926 /nfs/dbraw/zinc/00/19/26/433001926.db2.gz PIQKDXKJMRKHOO-IAGOWNOFSA-N 0 3 309.413 3.326 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289780109 432975045 /nfs/dbraw/zinc/97/50/45/432975045.db2.gz LRTWNMAWIGDQMN-OAHLLOKOSA-N 0 3 318.392 3.473 20 30 DGEDHN C#CCCOc1ccc(CN2CCC3(CC(OCC)C3)C2)cc1 ZINC000289944865 432981299 /nfs/dbraw/zinc/98/12/99/432981299.db2.gz YJPDFYOHOVUQTE-UHFFFAOYSA-N 0 3 313.441 3.480 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000280059732 433002418 /nfs/dbraw/zinc/00/24/18/433002418.db2.gz PJXIMMWLJOAZFO-GBESFXJTSA-N 0 3 321.424 3.326 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CCCCC2)cc1 ZINC000279592866 432987024 /nfs/dbraw/zinc/98/70/24/432987024.db2.gz DPARJEMATCNULQ-SFHVURJKSA-N 0 3 309.413 3.327 20 30 DGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCCC1 ZINC000279733324 432990968 /nfs/dbraw/zinc/99/09/68/432990968.db2.gz NXTCCNJNQDYUJC-KRWDZBQOSA-N 0 3 309.413 3.422 20 30 DGEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279699914 432991056 /nfs/dbraw/zinc/99/10/56/432991056.db2.gz JGFOAUDZROYMCG-ZTFGCOKTSA-N 0 3 309.413 3.278 20 30 DGEDHN C=CCCOCCNCc1c(C)nc2scc(C3CC3)n12 ZINC000297348106 432993164 /nfs/dbraw/zinc/99/31/64/432993164.db2.gz FBFQCHRTHPZOGA-UHFFFAOYSA-N 0 3 305.447 3.264 20 30 DGEDHN CCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000279982188 432999595 /nfs/dbraw/zinc/99/95/95/432999595.db2.gz IGOFGNVQIYJRQE-KRWDZBQOSA-N 0 3 309.413 3.327 20 30 DGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)s2)o1 ZINC000289431249 432959235 /nfs/dbraw/zinc/95/92/35/432959235.db2.gz KSCXYGJHSSDLDV-UHFFFAOYSA-N 0 3 303.431 3.085 20 30 DGEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280169431 433009356 /nfs/dbraw/zinc/00/93/56/433009356.db2.gz SKTXTRLKWRHNHY-QGZVFWFLSA-N 0 3 309.413 3.327 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000280348934 433038240 /nfs/dbraw/zinc/03/82/40/433038240.db2.gz IFHJLHLZMZGRHR-BODMPHMZSA-N 0 3 309.413 3.181 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)c(C)cc2C)CC1 ZINC000280426815 433049119 /nfs/dbraw/zinc/04/91/19/433049119.db2.gz DPYPERZTEOTZKP-UHFFFAOYSA-N 0 3 317.433 3.084 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280478118 433055414 /nfs/dbraw/zinc/05/54/14/433055414.db2.gz IXRGDTVPFUPXQO-QGZVFWFLSA-N 0 3 313.445 3.092 20 30 DGEDHN CC1(C)C(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000280485222 433059167 /nfs/dbraw/zinc/05/91/67/433059167.db2.gz KCKZZNQTMKKRSQ-HNNXBMFYSA-N 0 3 309.413 3.039 20 30 DGEDHN N#Cc1cccc(CCNCc2nccn2-c2ccccc2)c1 ZINC000341457652 433071307 /nfs/dbraw/zinc/07/13/07/433071307.db2.gz LDWMVYLYRJCPMA-UHFFFAOYSA-N 0 3 302.381 3.076 20 30 DGEDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000298401517 433122643 /nfs/dbraw/zinc/12/26/43/433122643.db2.gz JKYQXHHQXIMPSS-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1cc(NC2CCN([C@H](C)c3ccccc3)CC2)c(C#N)cn1 ZINC000425222244 433124791 /nfs/dbraw/zinc/12/47/91/433124791.db2.gz GOECWNQZSAVMDJ-MRXNPFEDSA-N 0 3 320.440 3.321 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000373408016 433154530 /nfs/dbraw/zinc/15/45/30/433154530.db2.gz NLXOVJNGSKJNHD-HNNXBMFYSA-N 0 3 319.836 3.226 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000373408121 433154556 /nfs/dbraw/zinc/15/45/56/433154556.db2.gz NLXOVJNGSKJNHD-OAHLLOKOSA-N 0 3 319.836 3.226 20 30 DGEDHN CN(C)CCOc1ccccc1CNc1ccc(C#N)cc1F ZINC000290691067 433140188 /nfs/dbraw/zinc/14/01/88/433140188.db2.gz UOZHNTNSZWIPGM-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000412310932 433147743 /nfs/dbraw/zinc/14/77/43/433147743.db2.gz NGPFDHAVYOBQGI-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CC3CCC3)CC2)CCCC1 ZINC000412311634 433148188 /nfs/dbraw/zinc/14/81/88/433148188.db2.gz GFNMYWSGDSAZIQ-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000453341706 433103391 /nfs/dbraw/zinc/10/33/91/433103391.db2.gz IAJHBHBPVZZVNF-JLZZUVOBSA-N 0 3 318.417 3.038 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453344387 433108394 /nfs/dbraw/zinc/10/83/94/433108394.db2.gz HEOQIXPSEXIQSB-XJKSGUPXSA-N 0 3 317.408 3.298 20 30 DGEDHN C=CCN1CC[C@@H](N(Cc2cccc(F)c2)C2CCCC2)C1=O ZINC000337150138 433208690 /nfs/dbraw/zinc/20/86/90/433208690.db2.gz IMUSGRGEJNIPBF-GOSISDBHSA-N 0 3 316.420 3.357 20 30 DGEDHN C=CCN1CC[C@H](N(C2CC2)[C@H]2CCCc3ccccc32)C1=O ZINC000337159337 433209616 /nfs/dbraw/zinc/20/96/16/433209616.db2.gz RSBRUWXFNHVBMO-OALUTQOASA-N 0 3 310.441 3.315 20 30 DGEDHN CC(C)[C@@](C)(NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O ZINC000298553646 433175544 /nfs/dbraw/zinc/17/55/44/433175544.db2.gz OKUKRCZLAXIBCS-HXUWFJFHSA-N 0 3 321.424 3.215 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)cc1F ZINC000336718125 433188619 /nfs/dbraw/zinc/18/86/19/433188619.db2.gz RAXOIXHPXXMGKJ-OAHLLOKOSA-N 0 3 311.404 3.307 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000298698821 433218146 /nfs/dbraw/zinc/21/81/46/433218146.db2.gz SWINHGYKBZSTNX-ZDUSSCGKSA-N 0 3 318.396 3.104 20 30 DGEDHN N#CC(C(=O)c1ccnc(C2CC2)c1)c1cnc2ccccc2n1 ZINC000361541353 433230037 /nfs/dbraw/zinc/23/00/37/433230037.db2.gz OJYVKAQSDVLKCA-AWEZNQCLSA-N 0 3 314.348 3.392 20 30 DGEDHN Cc1cc(NCCCN2CCc3ccccc3C2)cc(C#N)n1 ZINC000341741269 433245702 /nfs/dbraw/zinc/24/57/02/433245702.db2.gz FEUYQUWUOIOZON-UHFFFAOYSA-N 0 3 306.413 3.122 20 30 DGEDHN C=CCc1cc(CN2CCC(C)(COC)CC2)cc(OC)c1O ZINC000354763402 433262575 /nfs/dbraw/zinc/26/25/75/433262575.db2.gz MAVNHEZFYHTJDZ-UHFFFAOYSA-N 0 3 319.445 3.378 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000413937375 433316113 /nfs/dbraw/zinc/31/61/13/433316113.db2.gz IUHOIHMEPMBLTJ-UHFFFAOYSA-N 0 3 320.433 3.176 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H]1OCCc2sccc21 ZINC000291713741 433323243 /nfs/dbraw/zinc/32/32/43/433323243.db2.gz LPRAQBRCKPQMFM-BMIGLBTASA-N 0 3 304.440 3.473 20 30 DGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)CC1CCN(C)CC1 ZINC000291564566 433271005 /nfs/dbraw/zinc/27/10/05/433271005.db2.gz RZCAARJEDJGYJF-UHFFFAOYSA-N 0 3 315.417 3.016 20 30 DGEDHN C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000298933528 433282077 /nfs/dbraw/zinc/28/20/77/433282077.db2.gz PGNDREXNGBPZTO-IATRGZMQSA-N 0 3 319.836 3.282 20 30 DGEDHN Cc1ccc(NC(=O)CCN(C)[C@H](C)c2cccc(C#N)c2)nc1 ZINC000425532259 433285778 /nfs/dbraw/zinc/28/57/78/433285778.db2.gz IWHDPHPBLUSISH-OAHLLOKOSA-N 0 3 322.412 3.283 20 30 DGEDHN Fc1ccc(C#CCN2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425559919 433301609 /nfs/dbraw/zinc/30/16/09/433301609.db2.gz ZXTOWEVHHPOKLY-IBGZPJMESA-N 0 3 313.416 3.458 20 30 DGEDHN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C(C)C#N ZINC000414012424 433350602 /nfs/dbraw/zinc/35/06/02/433350602.db2.gz FTTNUROTUOZTAF-UONOGXRCSA-N 0 3 315.417 3.029 20 30 DGEDHN [O-]c1c(O)ccc(/C=N/C[C@@H]2CCC[N@@H+]2C2CCCCC2)c1O ZINC000281698088 433351264 /nfs/dbraw/zinc/35/12/64/433351264.db2.gz GYTVASOBXYKNKK-BKQORJHRSA-N 0 3 318.417 3.019 20 30 DGEDHN [O-]c1c(O)ccc(/C=N/C[C@@H]2CCC[N@H+]2C2CCCCC2)c1O ZINC000281698088 433351273 /nfs/dbraw/zinc/35/12/73/433351273.db2.gz GYTVASOBXYKNKK-BKQORJHRSA-N 0 3 318.417 3.019 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)C2(C#N)CCCCC2)N(C)C)cc1 ZINC000299370248 433363335 /nfs/dbraw/zinc/36/33/35/433363335.db2.gz VKNPACKDPVMOBW-KRWDZBQOSA-N 0 3 313.445 3.188 20 30 DGEDHN C[C@H]1C[C@@H](N(C)C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000291836304 433370693 /nfs/dbraw/zinc/37/06/93/433370693.db2.gz BISSBDFAYSBLTK-WMZOPIPTSA-N 0 3 313.445 3.192 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000413979535 433334597 /nfs/dbraw/zinc/33/45/97/433334597.db2.gz BLMJJZAGFVQWOE-SOLBZPMBSA-N 0 3 300.446 3.163 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNc1nnc(C)c(C)c1C#N ZINC000301139526 433428100 /nfs/dbraw/zinc/42/81/00/433428100.db2.gz GRFSOTFJFYSDDE-OAHLLOKOSA-N 0 3 301.438 3.032 20 30 DGEDHN COCCN(C)CC[C@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000341985718 433396837 /nfs/dbraw/zinc/39/68/37/433396837.db2.gz QWDKBMDKJBLQEV-SFHVURJKSA-N 0 3 324.428 3.075 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000454373729 433397506 /nfs/dbraw/zinc/39/75/06/433397506.db2.gz RJUBWHLQRMWBEX-DOTOQJQBSA-N 0 3 315.461 3.333 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000421030684 433400121 /nfs/dbraw/zinc/40/01/21/433400121.db2.gz ZBDOGUHCDBHSCJ-QGZVFWFLSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000281946696 433438278 /nfs/dbraw/zinc/43/82/78/433438278.db2.gz JIDZAELRSHIXRW-SJORKVTESA-N 0 3 302.393 3.043 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2CC)CC1 ZINC000454463502 433439653 /nfs/dbraw/zinc/43/96/53/433439653.db2.gz LRGLKLKULHPZTL-JKSUJKDBSA-N 0 3 307.482 3.152 20 30 DGEDHN CCN(CC)[C@@H](CNc1cccc(C#N)n1)c1cccc(OC)c1 ZINC000339214869 433443668 /nfs/dbraw/zinc/44/36/68/433443668.db2.gz GLGAAIJZKGSGLH-SFHVURJKSA-N 0 3 324.428 3.457 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@H]1O ZINC000426225759 433447643 /nfs/dbraw/zinc/44/76/43/433447643.db2.gz FIDUSQAJQBPTFA-HZPDHXFCSA-N 0 3 311.347 3.292 20 30 DGEDHN CCn1ccc(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000414199415 433456448 /nfs/dbraw/zinc/45/64/48/433456448.db2.gz AASUMUZBQKPOBX-UHFFFAOYSA-N 0 3 308.429 3.397 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454523804 433461117 /nfs/dbraw/zinc/46/11/17/433461117.db2.gz LSFIEGHHQKPQBN-IAGOWNOFSA-N 0 3 315.461 3.115 20 30 DGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1snc(Cl)c1C#N ZINC000301235898 433464462 /nfs/dbraw/zinc/46/44/62/433464462.db2.gz LWORZDOUCBQZRX-AXFHLTTASA-N 0 3 312.870 3.446 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000421323717 433476317 /nfs/dbraw/zinc/47/63/17/433476317.db2.gz HARQBWYQMWKIKY-GOSISDBHSA-N 0 3 315.367 3.229 20 30 DGEDHN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc(C#N)cc1 ZINC000301405506 433537891 /nfs/dbraw/zinc/53/78/91/433537891.db2.gz UHVYRNIQCBBGJQ-KRWDZBQOSA-N 0 3 320.440 3.181 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000339291160 433499149 /nfs/dbraw/zinc/49/91/49/433499149.db2.gz SVQXIGYQNYJKDQ-AWEZNQCLSA-N 0 3 314.414 3.114 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H](CO)C[C@H](C)C2)cc1Cl ZINC000421360610 433504602 /nfs/dbraw/zinc/50/46/02/433504602.db2.gz JFHRKGVRXPUXPB-DZGCQCFKSA-N 0 3 309.837 3.355 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000362153870 433550756 /nfs/dbraw/zinc/55/07/56/433550756.db2.gz GKQITWGESYNNSA-RHSMWYFYSA-N 0 3 302.418 3.204 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCCN1C ZINC000455734358 433555052 /nfs/dbraw/zinc/55/50/52/433555052.db2.gz PHRIIYIYSKASBL-BXUZGUMPSA-N 0 3 320.824 3.010 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000292371680 433559416 /nfs/dbraw/zinc/55/94/16/433559416.db2.gz AJSIMMSISRGXDJ-UHFFFAOYSA-N 0 3 303.450 3.150 20 30 DGEDHN CC(=O)NCCN(CCCCC(C)(C)C#N)Cc1ccsc1 ZINC000282366864 433581093 /nfs/dbraw/zinc/58/10/93/433581093.db2.gz BSYVBRKRUCSMLZ-UHFFFAOYSA-N 0 3 321.490 3.406 20 30 DGEDHN CC(C)(NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000356632883 433630351 /nfs/dbraw/zinc/63/03/51/433630351.db2.gz JDXPYQWAUQWLOE-UHFFFAOYSA-N 0 3 313.426 3.473 20 30 DGEDHN Cn1cc(-c2ccc(CN3CCC(C)(C#N)CC3)s2)cn1 ZINC000282909071 433640010 /nfs/dbraw/zinc/64/00/10/433640010.db2.gz ZQALFRCNMSWQLB-UHFFFAOYSA-N 0 3 300.431 3.274 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)C[C@H]1CC=CCC1 ZINC000362244586 433599696 /nfs/dbraw/zinc/59/96/96/433599696.db2.gz MWFYYRAQEUJJKC-INIZCTEOSA-N 0 3 314.429 3.372 20 30 DGEDHN CCOCC(C)(C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000293027940 433610552 /nfs/dbraw/zinc/61/05/52/433610552.db2.gz RIMLJHCGKVPCDC-UHFFFAOYSA-N 0 3 320.433 3.282 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000448921404 433614331 /nfs/dbraw/zinc/61/43/31/433614331.db2.gz MOXKHGCDLIFDEG-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN CCc1nnc(NCCN2CCCC[C@H]2CC)c(C#N)c1CC ZINC000301640816 433652960 /nfs/dbraw/zinc/65/29/60/433652960.db2.gz YPBSRBFEPZLNHB-CQSZACIVSA-N 0 3 315.465 3.149 20 30 DGEDHN COc1cc(CNc2ccc(CN(C)C)cc2F)ccc1C#N ZINC000414502679 433669746 /nfs/dbraw/zinc/66/97/46/433669746.db2.gz URJBSCISSHDDAA-UHFFFAOYSA-N 0 3 313.376 3.380 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000362390431 433682261 /nfs/dbraw/zinc/68/22/61/433682261.db2.gz SNTPAPXRZOFHQN-ZDUSSCGKSA-N 0 3 304.459 3.177 20 30 DGEDHN C=CCC(F)(F)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000293191305 433651150 /nfs/dbraw/zinc/65/11/50/433651150.db2.gz QFYYIEDFUKKRQJ-UHFFFAOYSA-N 0 3 323.387 3.343 20 30 DGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000356778313 433693630 /nfs/dbraw/zinc/69/36/30/433693630.db2.gz QHRWPZIBMQKPDH-BBRMVZONSA-N 0 3 308.385 3.290 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)CC1CCN(C)CC1 ZINC000362406657 433701082 /nfs/dbraw/zinc/70/10/82/433701082.db2.gz YZEFTBGZSYRCPG-UHFFFAOYSA-N 0 3 318.486 3.379 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1ccncc1F ZINC000449061028 433717521 /nfs/dbraw/zinc/71/75/21/433717521.db2.gz HHBMJQMEEKIOMW-UHFFFAOYSA-N 0 3 301.390 3.115 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000427518695 433718831 /nfs/dbraw/zinc/71/88/31/433718831.db2.gz HWRYXNATAPKBNZ-SZMVWBNQSA-N 0 3 300.446 3.335 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CC[C@H](CC4CC4)C3)C2=O)cc1 ZINC000339674566 433721503 /nfs/dbraw/zinc/72/15/03/433721503.db2.gz AZHVZORRGCDRJN-IEBWSBKVSA-N 0 3 323.440 3.176 20 30 DGEDHN CC(C)c1nc2n(n1)CCC[C@@H]2NC1CCC(C)(C#N)CC1 ZINC000449196473 433729805 /nfs/dbraw/zinc/72/98/05/433729805.db2.gz SHKYIUCNXBXBIM-UUCFBXCCSA-N 0 3 301.438 3.298 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H](CO)[C@@H]2C)ccc1OC ZINC000414584929 433735498 /nfs/dbraw/zinc/73/54/98/433735498.db2.gz TXIJTUJAGWWWAN-RDJZCZTQSA-N 0 3 319.445 3.243 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(Cl)cc1C#N)C1(CO)CCC1 ZINC000339728283 433750953 /nfs/dbraw/zinc/75/09/53/433750953.db2.gz ADXXWICRNOAHPB-MRXNPFEDSA-N 0 3 306.837 3.488 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2c(cc1SC)OCCO2 ZINC000449548054 433751306 /nfs/dbraw/zinc/75/13/06/433751306.db2.gz LBSKJLLIXKQBEU-KGLIPLIRSA-N 0 3 321.442 3.003 20 30 DGEDHN CC[C@@H](O)[C@H](CC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000449652911 433759229 /nfs/dbraw/zinc/75/92/29/433759229.db2.gz YTPGKRGPMTZXDZ-UONOGXRCSA-N 0 3 300.324 3.216 20 30 DGEDHN C[C@]12CN(Cc3cnc4ccc(C#N)cn34)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000449761957 433773963 /nfs/dbraw/zinc/77/39/63/433773963.db2.gz CNRRQTGFYPBCLQ-LORHWOILSA-N 0 3 306.413 3.074 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nc2cc(Cl)ccc2n1C ZINC000429710602 433778080 /nfs/dbraw/zinc/77/80/80/433778080.db2.gz XRLGBFYGSAIDKG-UHFFFAOYSA-N 0 3 320.868 3.166 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2CCC[C@H]21)C(C)C ZINC000429943480 433784969 /nfs/dbraw/zinc/78/49/69/433784969.db2.gz NQVAWENKKHDLHC-KZNAEPCWSA-N 0 3 319.493 3.269 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000301905727 433786358 /nfs/dbraw/zinc/78/63/58/433786358.db2.gz YSVFJMPSQZRNQE-UHFFFAOYSA-N 0 3 310.445 3.284 20 30 DGEDHN CN(CCN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000376736803 433803847 /nfs/dbraw/zinc/80/38/47/433803847.db2.gz NEQZMKJBHYAWLF-UHFFFAOYSA-N 0 3 320.440 3.075 20 30 DGEDHN C[C@H]1[C@@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)CCCN1C ZINC000343450065 433806685 /nfs/dbraw/zinc/80/66/85/433806685.db2.gz DZZSWLJBBYFJNA-BONVTDFDSA-N 0 3 316.355 3.279 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000362655846 433809459 /nfs/dbraw/zinc/80/94/59/433809459.db2.gz ASMCOSBYNUMSPH-CABCVRRESA-N 0 3 321.490 3.395 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)CC1 ZINC000376738995 433810196 /nfs/dbraw/zinc/81/01/96/433810196.db2.gz ZRMJHAOAKUSCAW-QKNQBKEWSA-N 0 3 324.468 3.119 20 30 DGEDHN C[C@@H](C1CCC1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000357037386 433842012 /nfs/dbraw/zinc/84/20/12/433842012.db2.gz MCBIDWKWDLUWKA-NSHDSACASA-N 0 3 305.809 3.271 20 30 DGEDHN CC(C)(C)[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344203295 433851518 /nfs/dbraw/zinc/85/15/18/433851518.db2.gz FCILQIFXXOVMIT-NVXWUHKLSA-N 0 3 311.429 3.032 20 30 DGEDHN CN(CCNc1c(C#N)cccc1C#N)Cc1ccc(F)cc1 ZINC000302775738 433859919 /nfs/dbraw/zinc/85/99/19/433859919.db2.gz AHUPERFBYAQVKE-UHFFFAOYSA-N 0 3 308.360 3.113 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000344527218 433869308 /nfs/dbraw/zinc/86/93/08/433869308.db2.gz KLNZZSNHECGLNE-ZANVPECISA-N 0 3 321.218 3.348 20 30 DGEDHN N#CCCOCCN[C@H](COc1ccccc1)c1ccccc1 ZINC000293908349 433921768 /nfs/dbraw/zinc/92/17/68/433921768.db2.gz WUTPZTVJUYLEMF-LJQANCHMSA-N 0 3 310.397 3.327 20 30 DGEDHN CC(C)CC[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000362954651 433922256 /nfs/dbraw/zinc/92/22/56/433922256.db2.gz MJMUYGYDACFXNS-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN COc1cccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c1[O-] ZINC000377619859 433929152 /nfs/dbraw/zinc/92/91/52/433929152.db2.gz CVMOWCXDKTUBGX-UHFFFAOYSA-N 0 3 308.381 3.114 20 30 DGEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)cc1F ZINC000377675631 433954159 /nfs/dbraw/zinc/95/41/59/433954159.db2.gz UPUPKDNOYDDFAS-GOSISDBHSA-N 0 3 321.399 3.334 20 30 DGEDHN Cc1cccc2c1OC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000377745912 433978037 /nfs/dbraw/zinc/97/80/37/433978037.db2.gz OEJZDHYAXGVZAE-YJBOKZPZSA-N 0 3 322.408 3.379 20 30 DGEDHN CC(C)N1CC[C@@H](N(C)C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000457097492 433985522 /nfs/dbraw/zinc/98/55/22/433985522.db2.gz RYONVUFEKIFYTR-ZWKOTPCHSA-N 0 3 313.445 3.015 20 30 DGEDHN CC(C)[C@@H](O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000304226374 433988658 /nfs/dbraw/zinc/98/86/58/433988658.db2.gz LDGYRVAGUCUPRW-FQEVSTJZSA-N 0 3 324.424 3.244 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C#N)ccc1Cl ZINC000285594894 434009463 /nfs/dbraw/zinc/00/94/63/434009463.db2.gz PGRUQMDYAYLJIN-AWEZNQCLSA-N 0 3 319.836 3.206 20 30 DGEDHN CC[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(CC)CC ZINC000416095379 434016178 /nfs/dbraw/zinc/01/61/78/434016178.db2.gz GWZMALDUJQNICP-ZWKOTPCHSA-N 0 3 313.445 3.172 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285692772 434041505 /nfs/dbraw/zinc/04/15/05/434041505.db2.gz VLDUIOINHYQNFE-WFASDCNBSA-N 0 3 318.244 3.334 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000416064936 433998255 /nfs/dbraw/zinc/99/82/55/433998255.db2.gz ASSCQGDXHQTZOS-IKGGRYGDSA-N 0 3 309.413 3.181 20 30 DGEDHN COc1cc(CN[C@@H](C)c2ccc3n[nH]cc3c2)ccc1C#N ZINC000353114728 434066290 /nfs/dbraw/zinc/06/62/90/434066290.db2.gz WTTLXQVFPBJVAO-LBPRGKRZSA-N 0 3 306.369 3.294 20 30 DGEDHN CSc1ccc([C@@H](CNc2cccc(C#N)n2)N(C)C)cc1 ZINC000294236235 434054649 /nfs/dbraw/zinc/05/46/49/434054649.db2.gz VVCZNZUUUBRUFT-MRXNPFEDSA-N 0 3 312.442 3.390 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC(=O)c2ccccc21 ZINC000416202946 434056933 /nfs/dbraw/zinc/05/69/33/434056933.db2.gz WSDVTSWFIZSBMT-MAUKXSAKSA-N 0 3 318.376 3.203 20 30 DGEDHN CCC(C)(C)OCCNC(=O)C(C#N)CCc1ccccc1 ZINC000457352993 434117384 /nfs/dbraw/zinc/11/73/84/434117384.db2.gz GFZKEICFVKERCA-INIZCTEOSA-N 0 3 302.418 3.080 20 30 DGEDHN C[C@H](NCCOCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000294555007 434120750 /nfs/dbraw/zinc/12/07/50/434120750.db2.gz LBAVOFJRMNKOAO-NSHDSACASA-N 0 3 302.296 3.166 20 30 DGEDHN C[C@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000497220103 294014897 /nfs/dbraw/zinc/01/48/97/294014897.db2.gz ILNSZIRUOCAWPI-KBXCAEBGSA-N 0 3 323.396 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000294641505 434123664 /nfs/dbraw/zinc/12/36/64/434123664.db2.gz ZJOLCOSLNPKKAX-UHFFFAOYSA-N 0 3 300.446 3.288 20 30 DGEDHN C[C@H](NCCn1cnc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000346134907 434140815 /nfs/dbraw/zinc/14/08/15/434140815.db2.gz KLTSRJVPWZOJJV-ZDUSSCGKSA-N 0 3 308.360 3.398 20 30 DGEDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000286073350 434153972 /nfs/dbraw/zinc/15/39/72/434153972.db2.gz JUBICWFFZRIDOZ-VBNZEHGJSA-N 0 3 317.458 3.149 20 30 DGEDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000286073347 434155086 /nfs/dbraw/zinc/15/50/86/434155086.db2.gz JUBICWFFZRIDOZ-UHOFOFEASA-N 0 3 317.458 3.149 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000357741576 434157704 /nfs/dbraw/zinc/15/77/04/434157704.db2.gz BWSJULXGDOTCAR-BMFZPTHFSA-N 0 3 318.486 3.239 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000357741580 434157922 /nfs/dbraw/zinc/15/79/22/434157922.db2.gz BWSJULXGDOTCAR-CWRNSKLLSA-N 0 3 318.486 3.239 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000340496219 434161523 /nfs/dbraw/zinc/16/15/23/434161523.db2.gz YUHAMHPZPZTTJB-NFAWXSAZSA-N 0 3 317.458 3.097 20 30 DGEDHN N#Cc1ccnc(NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000286138053 434175930 /nfs/dbraw/zinc/17/59/30/434175930.db2.gz HBNURNULGCLZJL-OAHLLOKOSA-N 0 3 312.442 3.339 20 30 DGEDHN Cc1nc(CN)ccc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000423032582 434177728 /nfs/dbraw/zinc/17/77/28/434177728.db2.gz WFIKAAXETLEBRZ-AWEZNQCLSA-N 0 3 306.413 3.060 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000286367267 434247619 /nfs/dbraw/zinc/24/76/19/434247619.db2.gz ACFPMBDKIZXUNN-HHXXYDBFSA-N 0 3 313.445 3.096 20 30 DGEDHN COc1ccccc1O[C@@H]1CCCN(CCCSCC#N)C1 ZINC000286377260 434249513 /nfs/dbraw/zinc/24/95/13/434249513.db2.gz IFUKNKBJKYEQLK-OAHLLOKOSA-N 0 3 320.458 3.185 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000364219520 434262286 /nfs/dbraw/zinc/26/22/86/434262286.db2.gz NDNLLCLMIJERLR-YWZLYKJASA-N 0 3 322.408 3.381 20 30 DGEDHN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000379769690 434263781 /nfs/dbraw/zinc/26/37/81/434263781.db2.gz PDRUUNFMDGWDOY-MRXNPFEDSA-N 0 3 322.368 3.153 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347589502 434269591 /nfs/dbraw/zinc/26/95/91/434269591.db2.gz XVHUZPUROKPOPY-BZUAXINKSA-N 0 3 307.482 3.141 20 30 DGEDHN CCc1cccc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000324145709 434272890 /nfs/dbraw/zinc/27/28/90/434272890.db2.gz AEWCKOBWKXEZBZ-BEFAXECRSA-N 0 3 324.424 3.211 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000353562847 434229865 /nfs/dbraw/zinc/22/98/65/434229865.db2.gz RXOYLHSDZYACOJ-HNNXBMFYSA-N 0 3 318.396 3.083 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)CCCC1 ZINC000450584204 434280873 /nfs/dbraw/zinc/28/08/73/434280873.db2.gz WJURJGXSODGFJI-HOTGVXAUSA-N 0 3 322.518 3.161 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC(C2CCC2)C2CCC2)cc1 ZINC000286699563 434290710 /nfs/dbraw/zinc/29/07/10/434290710.db2.gz KBTDQNQYSGZOPE-SFHVURJKSA-N 0 3 321.424 3.326 20 30 DGEDHN Cc1ncc(C(=O)NCCN2CCC3(CCCCC3)CC2)[nH]1 ZINC000328699711 434301821 /nfs/dbraw/zinc/30/18/21/434301821.db2.gz IIFZMQHEMSSCFQ-UHFFFAOYSA-N 0 3 304.438 3.069 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 ZINC000328787919 434312148 /nfs/dbraw/zinc/31/21/48/434312148.db2.gz XKAWYPBIKCEIDH-ZFWWWQNUSA-N 0 3 323.400 3.003 20 30 DGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncoc1C1CC1 ZINC000328810020 434314644 /nfs/dbraw/zinc/31/46/44/434314644.db2.gz FCAOJMPONAIKKM-FRRDWIJNSA-N 0 3 305.422 3.223 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CCN1C ZINC000328825802 434316385 /nfs/dbraw/zinc/31/63/85/434316385.db2.gz HRLYWCURSNJPRX-DGCLKSJQSA-N 0 3 315.417 3.353 20 30 DGEDHN Cc1cccc(NC(=O)[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000328845625 434317749 /nfs/dbraw/zinc/31/77/49/434317749.db2.gz QFYMRQZHDQMMKG-ARFHVFGLSA-N 0 3 312.417 3.382 20 30 DGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1scnc1C1CC1 ZINC000328917145 434327299 /nfs/dbraw/zinc/32/72/99/434327299.db2.gz KNMVWZIXDCVNFS-LLVKDONJSA-N 0 3 308.451 3.221 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1nccc(C#N)n1 ZINC000390857540 434372384 /nfs/dbraw/zinc/37/23/84/434372384.db2.gz LJRHANUZYAOYLZ-QGZVFWFLSA-N 0 3 321.428 3.061 20 30 DGEDHN Cc1nncn1-c1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000329209755 434372781 /nfs/dbraw/zinc/37/27/81/434372781.db2.gz YOOIRBBMYIFGEC-CHWSQXEVSA-N 0 3 313.405 3.037 20 30 DGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2conc2C2CC2)C1 ZINC000329220945 434373159 /nfs/dbraw/zinc/37/31/59/434373159.db2.gz UGNMCIZHKGCLNX-GFCCVEGCSA-N 0 3 305.422 3.367 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000358231116 434389002 /nfs/dbraw/zinc/38/90/02/434389002.db2.gz OUVYEMQQGJUGOH-XVKPBYJWSA-N 0 3 322.233 3.167 20 30 DGEDHN C=CC[C@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000295398577 434345748 /nfs/dbraw/zinc/34/57/48/434345748.db2.gz REYZCBGYPPOTMQ-APWZRJJASA-N 0 3 312.457 3.289 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc2nsnc2c1)N1CCC[C@@H](C)C1 ZINC000329078693 434353977 /nfs/dbraw/zinc/35/39/77/434353977.db2.gz BQIIUDJFYCBTNJ-NEPJUHHUSA-N 0 3 318.446 3.116 20 30 DGEDHN C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329089428 434357752 /nfs/dbraw/zinc/35/77/52/434357752.db2.gz VZNVWEPHTQGKTG-DZGCQCFKSA-N 0 3 321.465 3.495 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNc1snc(C)c1C#N)c1ccco1 ZINC000340941914 434442468 /nfs/dbraw/zinc/44/24/68/434442468.db2.gz CRKISFBTBVTAKO-MFKMUULPSA-N 0 3 304.419 3.458 20 30 DGEDHN C[C@H](CNC(=O)c1cc2nc[nH]c2cc1F)N1CCC(C)CC1 ZINC000329388286 434402992 /nfs/dbraw/zinc/40/29/92/434402992.db2.gz QOJBBHQWVQJVGA-GFCCVEGCSA-N 0 3 318.396 3.127 20 30 DGEDHN CN(C)C(=O)Nc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000358746627 434404421 /nfs/dbraw/zinc/40/44/21/434404421.db2.gz UJYNOQKJRUUKGF-UHFFFAOYSA-N 0 3 314.414 3.003 20 30 DGEDHN CC1CCC(N2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC000340876934 434407639 /nfs/dbraw/zinc/40/76/39/434407639.db2.gz BUBXNOGVRXLRAO-UHFFFAOYSA-N 0 3 315.436 3.394 20 30 DGEDHN CC[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 ZINC000329435605 434410015 /nfs/dbraw/zinc/41/00/15/434410015.db2.gz LTADBJWTNRXHKT-NLHLPJCGSA-N 0 3 320.477 3.459 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1Cc2ccccc21)C(C)C ZINC000359299971 434418881 /nfs/dbraw/zinc/41/88/81/434418881.db2.gz UBNABIHPGDCGOK-OALUTQOASA-N 0 3 312.457 3.141 20 30 DGEDHN CC(=O)NC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000329812872 434484478 /nfs/dbraw/zinc/48/44/78/434484478.db2.gz SILMSFKLCGOVTC-SWLSCSKDSA-N 0 3 307.438 3.105 20 30 DGEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000438507323 434498078 /nfs/dbraw/zinc/49/80/78/434498078.db2.gz JJYPYXMNPYKDKS-GARNVTTQSA-N 0 3 305.466 3.038 20 30 DGEDHN Cc1nc(N2CCC[C@H]2CN2CCCCC2)c(Cl)cc1C#N ZINC000360064749 434503239 /nfs/dbraw/zinc/50/32/39/434503239.db2.gz DWEQMOKZUOUCOD-HNNXBMFYSA-N 0 3 318.852 3.370 20 30 DGEDHN Cc1nc(N[C@H](C)CN2CCC[C@H](C)C2)c(Cl)cc1C#N ZINC000359906553 434454144 /nfs/dbraw/zinc/45/41/44/434454144.db2.gz VUWPGRKVNADDTG-NWDGAFQWSA-N 0 3 306.841 3.447 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000438636875 434523491 /nfs/dbraw/zinc/52/34/91/434523491.db2.gz MHFYFUJGMRNORS-ZWKOTPCHSA-N 0 3 301.405 3.457 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC3(CCO3)CC2)c1 ZINC000367070375 434537397 /nfs/dbraw/zinc/53/73/97/434537397.db2.gz CKQSRYFFNGMFGG-UHFFFAOYSA-N 0 3 300.402 3.124 20 30 DGEDHN CC1CCC(N2CCN(Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000360263453 434560673 /nfs/dbraw/zinc/56/06/73/434560673.db2.gz BPKOTXVWFOJJGS-UHFFFAOYSA-N 0 3 315.436 3.394 20 30 DGEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000368494274 434574598 /nfs/dbraw/zinc/57/45/98/434574598.db2.gz FHQVNXQSVTZTEV-AAEUAGOBSA-N 0 3 302.846 3.364 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000424083571 434616867 /nfs/dbraw/zinc/61/68/67/434616867.db2.gz CZPHYUGLTZGCBX-LSDHHAIUSA-N 0 3 305.809 3.025 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000424090110 434621028 /nfs/dbraw/zinc/62/10/28/434621028.db2.gz JZNPWYUMSABJHF-IAGOWNOFSA-N 0 3 317.408 3.194 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1COc1ccccc1 ZINC000424097193 434622350 /nfs/dbraw/zinc/62/23/50/434622350.db2.gz DYGIVUALNKEJGF-QGZVFWFLSA-N 0 3 323.396 3.225 20 30 DGEDHN CC(C)c1nc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2s1 ZINC000424102824 434622366 /nfs/dbraw/zinc/62/23/66/434622366.db2.gz BUROXCSHSQDVGU-LBPRGKRZSA-N 0 3 316.430 3.379 20 30 DGEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424105023 434622568 /nfs/dbraw/zinc/62/25/68/434622568.db2.gz VPDJWZQNLKRWDD-ZDUSSCGKSA-N 0 3 309.797 3.088 20 30 DGEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000424108211 434626464 /nfs/dbraw/zinc/62/64/64/434626464.db2.gz WCOIALKOKPUNAC-UKRRQHHQSA-N 0 3 313.401 3.363 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000424120738 434627959 /nfs/dbraw/zinc/62/79/59/434627959.db2.gz GXOWEKUNWMSGET-IAGOWNOFSA-N 0 3 317.408 3.194 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000424116341 434628031 /nfs/dbraw/zinc/62/80/31/434628031.db2.gz AFHLZXZYTADYKD-OAHLLOKOSA-N 0 3 319.380 3.107 20 30 DGEDHN CCSc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424145804 434636790 /nfs/dbraw/zinc/63/67/90/434636790.db2.gz VJPLSFLDXBZIDM-LLVKDONJSA-N 0 3 311.838 3.412 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000424146392 434637308 /nfs/dbraw/zinc/63/73/08/434637308.db2.gz POHNAPVXWKIGEX-QGZVFWFLSA-N 0 3 314.433 3.027 20 30 DGEDHN C=CCN1CC[C@@H](N(CCC)[C@H]2CCc3ccccc3C2)C1=O ZINC000410342520 434641162 /nfs/dbraw/zinc/64/11/62/434641162.db2.gz KVPYCUGGHNHCOM-RBUKOAKNSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389413 434644229 /nfs/dbraw/zinc/64/42/29/434644229.db2.gz NOQAWTOYEZNUQM-MSOLQXFVSA-N 0 3 300.446 3.035 20 30 DGEDHN C=CCN1CC[C@H](N(CC)[C@H](CC)Cc2ccccc2)C1=O ZINC000410410104 434644388 /nfs/dbraw/zinc/64/43/88/434644388.db2.gz GTAYDNVTVSAFSM-MSOLQXFVSA-N 0 3 300.446 3.117 20 30 DGEDHN C=CCN1CC[C@@H](N2CC[C@](C)(CCc3ccccc3)C2)C1=O ZINC000410407325 434644650 /nfs/dbraw/zinc/64/46/50/434644650.db2.gz ORMOKRHJHMOBMM-QUCCMNQESA-N 0 3 312.457 3.118 20 30 DGEDHN N#CC1(CNC2CCN(CCc3ccc(F)cc3)CC2)CCC1 ZINC000418140754 434601042 /nfs/dbraw/zinc/60/10/42/434601042.db2.gz KCHBCDQWMVTCKX-UHFFFAOYSA-N 0 3 315.436 3.116 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H](C(C)C)C1(CO)CCCC1 ZINC000459548248 434601808 /nfs/dbraw/zinc/60/18/08/434601808.db2.gz XHDGAKLZJASJOS-SFHVURJKSA-N 0 3 316.445 3.234 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnn(CC(F)F)c1 ZINC000418145154 434604289 /nfs/dbraw/zinc/60/42/89/434604289.db2.gz MAWTVTMNTUXTRN-INIZCTEOSA-N 0 3 316.355 3.187 20 30 DGEDHN C=C(C)COc1cc(CN2CC([C@@H]3CCOC3)C2)ccc1OC ZINC000369867788 434604662 /nfs/dbraw/zinc/60/46/62/434604662.db2.gz MBAFUKFINBIKCG-MRXNPFEDSA-N 0 3 317.429 3.118 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418151896 434607315 /nfs/dbraw/zinc/60/73/15/434607315.db2.gz UAJMGLOQTZWLEC-IAGOWNOFSA-N 0 3 303.450 3.464 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000424173912 434645041 /nfs/dbraw/zinc/64/50/41/434645041.db2.gz OTULVECYCJVIQD-SJORKVTESA-N 0 3 305.466 3.359 20 30 DGEDHN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(OCC#N)cc1 ZINC000360791661 434697133 /nfs/dbraw/zinc/69/71/33/434697133.db2.gz HMJGJAYMYCTHPI-MGPUTAFESA-N 0 3 321.424 3.426 20 30 DGEDHN Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H](N)CCCC#N ZINC000424174742 434646549 /nfs/dbraw/zinc/64/65/49/434646549.db2.gz PLWONRHSDNMCAS-ZDUSSCGKSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1cc(CNC(=O)[C@@H](N)CCCC#N)ccc1-c1ccccc1 ZINC000424176008 434646683 /nfs/dbraw/zinc/64/66/83/434646683.db2.gz RKWBZZYUCCRAAL-IBGZPJMESA-N 0 3 321.424 3.299 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000360612453 434649348 /nfs/dbraw/zinc/64/93/48/434649348.db2.gz PYZULTDBMZKNGD-INIZCTEOSA-N 0 3 305.466 3.041 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)ccc1OC ZINC000371343689 434673849 /nfs/dbraw/zinc/67/38/49/434673849.db2.gz HNNDPBKZYBILCP-VQIMIIECSA-N 0 3 317.429 3.307 20 30 DGEDHN C=CCn1cc(CNC2CCC(C)(c3ccccc3)CC2)nn1 ZINC000424298826 434682323 /nfs/dbraw/zinc/68/23/23/434682323.db2.gz TXSRNABGKDRYNQ-UHFFFAOYSA-N 0 3 310.445 3.454 20 30 DGEDHN Cc1cc(CN(CCN(C)C)Cc2ccsc2)ccc1C#N ZINC000459737432 434686941 /nfs/dbraw/zinc/68/69/41/434686941.db2.gz HWZBVGDYNGLUJB-UHFFFAOYSA-N 0 3 313.470 3.492 20 30 DGEDHN COc1cc(CNCCO[C@@H]2CCCC[C@H]2C)ccc1C#N ZINC000440811510 434746263 /nfs/dbraw/zinc/74/62/63/434746263.db2.gz YJHTXINSIAUCLM-RHSMWYFYSA-N 0 3 302.418 3.252 20 30 DGEDHN COc1cc(CNC[C@@H](C)Oc2cccc(F)c2)ccc1C#N ZINC000440824176 434749289 /nfs/dbraw/zinc/74/92/89/434749289.db2.gz TZEGEKVNEZTACL-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN Cc1cc(CNCCOc2ccc(Cl)cn2)ccc1C#N ZINC000443983673 533694055 /nfs/dbraw/zinc/69/40/55/533694055.db2.gz DXXLNAPBZDLRJY-UHFFFAOYSA-N 0 3 301.777 3.084 20 30 DGEDHN CCOc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000424335583 434701182 /nfs/dbraw/zinc/70/11/82/434701182.db2.gz XAZKVOBTABZAIN-MBNYWOFBSA-N 0 3 303.362 3.336 20 30 DGEDHN C=CC(C)(C)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000452775891 434712347 /nfs/dbraw/zinc/71/23/47/434712347.db2.gz JIBFMVROTVRLDZ-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000459779082 434716696 /nfs/dbraw/zinc/71/66/96/434716696.db2.gz WVUYKFSISOVUEI-GJZGRUSLSA-N 0 3 322.355 3.207 20 30 DGEDHN COc1cc(CNCCCNc2cccc(F)c2)ccc1C#N ZINC000440622674 434725460 /nfs/dbraw/zinc/72/54/60/434725460.db2.gz JPMCSGRRDMBYDW-UHFFFAOYSA-N 0 3 313.376 3.298 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460381209 434756251 /nfs/dbraw/zinc/75/62/51/434756251.db2.gz BXYLIRMRMXTINT-HZPDHXFCSA-N 0 3 319.497 3.116 20 30 DGEDHN CCC[C@@H]1CCCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419286698 434763130 /nfs/dbraw/zinc/76/31/30/434763130.db2.gz VNIKOJQUIIEQNL-NXHRZFHOSA-N 0 3 313.445 3.281 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000424673331 434776648 /nfs/dbraw/zinc/77/66/48/434776648.db2.gz YQQHPJRYHWMMFS-QGZVFWFLSA-N 0 3 300.446 3.370 20 30 DGEDHN COC1(C(F)(F)F)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000419362110 434778308 /nfs/dbraw/zinc/77/83/08/434778308.db2.gz YCORIWRLRVFFPO-UHFFFAOYSA-N 0 3 312.335 3.296 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419372887 434781843 /nfs/dbraw/zinc/78/18/43/434781843.db2.gz MXRIYXFBLTWDKG-YYIAUSFCSA-N 0 3 313.445 3.298 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000424740106 434792936 /nfs/dbraw/zinc/79/29/36/434792936.db2.gz RBMIKLADQXXNJB-HNNXBMFYSA-N 0 3 315.461 3.326 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc(-c2cccs2)no1 ZINC000411647785 434812286 /nfs/dbraw/zinc/81/22/86/434812286.db2.gz YNNPEVFEMHBQIP-CYBMUJFWSA-N 0 3 320.462 3.299 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)cc1OC(F)F ZINC000411640630 434812297 /nfs/dbraw/zinc/81/22/97/434812297.db2.gz KYDSTGPHPOKDME-UHFFFAOYSA-N 0 3 323.387 3.099 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(Cl)cc1C ZINC000411640175 434813342 /nfs/dbraw/zinc/81/33/42/434813342.db2.gz JYYFMWMRUXEKCS-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN CS[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1N1CCCC1 ZINC000445596635 434814622 /nfs/dbraw/zinc/81/46/22/434814622.db2.gz NORPNNCVZXBMCP-JKSUJKDBSA-N 0 3 321.877 3.228 20 30 DGEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)CC2(CCOCC2)O1 ZINC000411670520 434815957 /nfs/dbraw/zinc/81/59/57/434815957.db2.gz KZFAJPDJTRJAHZ-INIZCTEOSA-N 0 3 306.450 3.120 20 30 DGEDHN C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccncn1 ZINC000453152516 434817901 /nfs/dbraw/zinc/81/79/01/434817901.db2.gz VPEBBTBBOKFGJF-ODIFPOPNSA-N 0 3 322.412 3.389 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCN(C)c3ccccc3C2)cc1 ZINC000372413147 434822716 /nfs/dbraw/zinc/82/27/16/434822716.db2.gz HWWKGVNAPASAFJ-MRXNPFEDSA-N 0 3 321.424 3.429 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000411876978 434839631 /nfs/dbraw/zinc/83/96/31/434839631.db2.gz BUHRQEUDGYRQQF-QGPMSJSTSA-N 0 3 301.434 3.170 20 30 DGEDHN C=CCOCCCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412016460 434854239 /nfs/dbraw/zinc/85/42/39/434854239.db2.gz VYUKJIXEBNBBKP-GOSISDBHSA-N 0 3 301.430 3.433 20 30 DGEDHN COC1([C@@H](C)NCc2cc(C#N)ccc2Br)CCC1 ZINC000412020892 434854526 /nfs/dbraw/zinc/85/45/26/434854526.db2.gz KRRXIJGXHLTHPM-LLVKDONJSA-N 0 3 323.234 3.368 20 30 DGEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2Br)CCC1 ZINC000412017544 434854545 /nfs/dbraw/zinc/85/45/45/434854545.db2.gz ABRVEFIUHDHXHC-LLVKDONJSA-N 0 3 323.234 3.368 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC(C)(C)C[C@@H]1C ZINC000412038647 434858947 /nfs/dbraw/zinc/85/89/47/434858947.db2.gz ITTPRZUMGQGYOE-JKSUJKDBSA-N 0 3 313.445 3.442 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC(C)(C)C[C@H]1C ZINC000412038240 434859009 /nfs/dbraw/zinc/85/90/09/434859009.db2.gz ITTPRZUMGQGYOE-HZPDHXFCSA-N 0 3 313.445 3.442 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462064830 434898821 /nfs/dbraw/zinc/89/88/21/434898821.db2.gz GMDCFSQGVJBMON-MAUKXSAKSA-N 0 3 313.445 3.042 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000573437509 434899123 /nfs/dbraw/zinc/89/91/23/434899123.db2.gz BUQJYYKCOQAPSV-SJORKVTESA-N 0 3 316.445 3.246 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000492055774 434907537 /nfs/dbraw/zinc/90/75/37/434907537.db2.gz FEKKJTDLUIBHEE-ALCCZGGFSA-N 0 3 322.861 3.019 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000462460351 434914229 /nfs/dbraw/zinc/91/42/29/434914229.db2.gz RTAYSAUCLYNYLN-WMZOPIPTSA-N 0 3 319.493 3.333 20 30 DGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000555261004 434966959 /nfs/dbraw/zinc/96/69/59/434966959.db2.gz NSONVYGYEHDQHG-JKSUJKDBSA-N 0 3 319.497 3.144 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000464044309 434975440 /nfs/dbraw/zinc/97/54/40/434975440.db2.gz GKUNVCSRZDHZKW-QZTJIDSGSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCNC(=O)CN[C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462810780 434931147 /nfs/dbraw/zinc/93/11/47/434931147.db2.gz IFMKSQHEUKWRGS-AWEZNQCLSA-N 0 3 313.445 3.116 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](C)C2CCCCC2)CC1 ZINC000527768086 435015108 /nfs/dbraw/zinc/01/51/08/435015108.db2.gz DYUCCMJAVJZPOW-INIZCTEOSA-N 0 3 321.509 3.495 20 30 DGEDHN CO[C@H](Cc1ccc(F)cc1)CN(C)Cc1cccc(C#N)c1 ZINC000528336363 435023418 /nfs/dbraw/zinc/02/34/18/435023418.db2.gz BDFLWCCQSILNTD-LJQANCHMSA-N 0 3 312.388 3.387 20 30 DGEDHN COc1ccc([C@H](NCCOc2cccc(C#N)c2)C2CC2)cn1 ZINC000528846645 435029675 /nfs/dbraw/zinc/02/96/75/435029675.db2.gz JDXWAHNGABHBFD-LJQANCHMSA-N 0 3 323.396 3.082 20 30 DGEDHN C=CCOCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000525207707 435005585 /nfs/dbraw/zinc/00/55/85/435005585.db2.gz DVILUPWLPWFRKM-UHFFFAOYSA-N 0 3 316.445 3.098 20 30 DGEDHN CCC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000466463363 435078853 /nfs/dbraw/zinc/07/88/53/435078853.db2.gz GRRXMPIKURWONR-CVEARBPZSA-N 0 3 305.466 3.230 20 30 DGEDHN COCCC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000529633189 435038171 /nfs/dbraw/zinc/03/81/71/435038171.db2.gz WRKMERGKXNXZLB-GOSISDBHSA-N 0 3 314.429 3.034 20 30 DGEDHN C=CCc1cc(CN2CCC(CCOC)CC2)cc(OC)c1O ZINC000529637974 435038672 /nfs/dbraw/zinc/03/86/72/435038672.db2.gz KKQMQFMEKTYNFQ-UHFFFAOYSA-N 0 3 319.445 3.378 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000466787756 435093524 /nfs/dbraw/zinc/09/35/24/435093524.db2.gz OCQWQVMHMPOEEM-GOSISDBHSA-N 0 3 315.461 3.115 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000466982804 435103242 /nfs/dbraw/zinc/10/32/42/435103242.db2.gz MXDGZKQZNDPQOT-WBVHZDCISA-N 0 3 301.434 3.039 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000467109538 435109157 /nfs/dbraw/zinc/10/91/57/435109157.db2.gz IACKLVWMAHZFFW-SFHVURJKSA-N 0 3 315.461 3.349 20 30 DGEDHN COc1ccc(OC)c([C@H](C)NCCc2cccc(C#N)c2)c1 ZINC000467458581 435121494 /nfs/dbraw/zinc/12/14/94/435121494.db2.gz YQRSEPQRPTXJSB-AWEZNQCLSA-N 0 3 310.397 3.469 20 30 DGEDHN C=CCN1CC[C@@H](N(C)CCCc2c(F)cccc2Cl)C1=O ZINC000467522301 435123661 /nfs/dbraw/zinc/12/36/61/435123661.db2.gz OSNHVEIOOZLWHI-MRXNPFEDSA-N 0 3 324.827 3.130 20 30 DGEDHN CC(C)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(F)cc1 ZINC000559271710 435126566 /nfs/dbraw/zinc/12/65/66/435126566.db2.gz GFRYRMDTAVYCKO-QGZVFWFLSA-N 0 3 323.375 3.227 20 30 DGEDHN CC(C)(C)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471115311 435136534 /nfs/dbraw/zinc/13/65/34/435136534.db2.gz YGPGQAGTDKDOST-IRXDYDNUSA-N 0 3 309.413 3.135 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(C)cc1)C(C)C ZINC000495966808 435207563 /nfs/dbraw/zinc/20/75/63/435207563.db2.gz SDEVGELULBHHNH-LJQANCHMSA-N 0 3 314.473 3.352 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1F ZINC000532987145 435203833 /nfs/dbraw/zinc/20/38/33/435203833.db2.gz SJWNMYLIQFIZIM-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc4ccoc43)C2)nc1 ZINC000579434927 435154030 /nfs/dbraw/zinc/15/40/30/435154030.db2.gz WAHCMPHEZLHNQZ-KRWDZBQOSA-N 0 3 319.364 3.353 20 30 DGEDHN CCC(O)(CC)C(C)(C)CNCc1ccc(C#N)c(OC)c1 ZINC000580216974 435214966 /nfs/dbraw/zinc/21/49/66/435214966.db2.gz OJNPBXVTRJCXNL-UHFFFAOYSA-N 0 3 304.434 3.234 20 30 DGEDHN C=CCOc1ccc(CNCCc2ccc(C)o2)cc1OC ZINC000642342654 435224683 /nfs/dbraw/zinc/22/46/83/435224683.db2.gz XWFBSEPQPPGUIT-UHFFFAOYSA-N 0 3 301.386 3.494 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000648203052 435226375 /nfs/dbraw/zinc/22/63/75/435226375.db2.gz QCPUSRFITLBOJH-QGZVFWFLSA-N 0 3 300.446 3.227 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C=C)CC1)C(C)C ZINC000476269124 435228158 /nfs/dbraw/zinc/22/81/58/435228158.db2.gz PWHOUOMLDSGKDD-SFHVURJKSA-N 0 3 319.493 3.293 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000582316223 435239639 /nfs/dbraw/zinc/23/96/39/435239639.db2.gz GEKWQQLEAMBNSE-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN N#CCC[C@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000583613116 435243188 /nfs/dbraw/zinc/24/31/88/435243188.db2.gz WJSIIAFSRCEAGO-SFHVURJKSA-N 0 3 320.396 3.456 20 30 DGEDHN C[C@H]1CCN(CCC(C)(C)C#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496655752 435236831 /nfs/dbraw/zinc/23/68/31/435236831.db2.gz SCYMTJBDPFXJII-GJZGRUSLSA-N 0 3 323.481 3.409 20 30 DGEDHN C=CCN1CCC(Nc2ncnc3[nH]c4ccccc4c32)CC1 ZINC000562531037 435260316 /nfs/dbraw/zinc/26/03/16/435260316.db2.gz CKNIEMLKSSYSIC-UHFFFAOYSA-N 0 3 307.401 3.173 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1=CCCC1 ZINC000562964187 435264809 /nfs/dbraw/zinc/26/48/09/435264809.db2.gz OFWLZZNRKKZSSL-KRWDZBQOSA-N 0 3 321.424 3.493 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H](NCC1(C#N)CCC1)C1CCCC1 ZINC000496888396 435267620 /nfs/dbraw/zinc/26/76/20/435267620.db2.gz AQAHPPQIYBPWMH-OAHLLOKOSA-N 0 3 321.465 3.353 20 30 DGEDHN Cc1cc(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)ccc1C#N ZINC000496975450 435277124 /nfs/dbraw/zinc/27/71/24/435277124.db2.gz RDTRLOFJTOJFQA-KGLIPLIRSA-N 0 3 317.433 3.258 20 30 DGEDHN C=CCOc1ccc(CNC2(COC)CCCC2)cc1OC ZINC000565432556 435279665 /nfs/dbraw/zinc/27/96/65/435279665.db2.gz OLUWRKLRIDCUDY-UHFFFAOYSA-N 0 3 305.418 3.309 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000566791175 435289958 /nfs/dbraw/zinc/28/99/58/435289958.db2.gz BDYBFVZDWMOOLG-QGZVFWFLSA-N 0 3 313.445 3.026 20 30 DGEDHN COC(=O)Nc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000497193604 435301025 /nfs/dbraw/zinc/30/10/25/435301025.db2.gz ZZSHANUBQYCWER-UHFFFAOYSA-N 0 3 309.369 3.335 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000500149271 435303696 /nfs/dbraw/zinc/30/36/96/435303696.db2.gz NVQBDFVSSLKBPO-RDJZCZTQSA-N 0 3 300.446 3.225 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1CCC(C)(C)C1 ZINC000567296739 435304734 /nfs/dbraw/zinc/30/47/34/435304734.db2.gz KGGKOWYIJLDKIN-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496851978 435262802 /nfs/dbraw/zinc/26/28/02/435262802.db2.gz AVUFPQPWWZLOEL-ZIAGYGMSSA-N 0 3 309.454 3.161 20 30 DGEDHN CC1(C)C[C@@H](NCc2cnc3c(C#N)cnn3c2)c2ccccc21 ZINC000567887080 435364355 /nfs/dbraw/zinc/36/43/55/435364355.db2.gz BPFQDXYRMKDRIR-QGZVFWFLSA-N 0 3 317.396 3.113 20 30 DGEDHN COC(=O)c1cccc(CN(C)C2CCC(C)CC2)c1C#N ZINC000535218702 435323941 /nfs/dbraw/zinc/32/39/41/435323941.db2.gz HQWDDTQWYNHLGP-UHFFFAOYSA-N 0 3 300.402 3.355 20 30 DGEDHN C[C@H](CNc1nc(C#N)c(Cl)s1)N(C)Cc1ccccc1 ZINC000596120731 435312019 /nfs/dbraw/zinc/31/20/19/435312019.db2.gz SHZISGSPNJBFEI-LLVKDONJSA-N 0 3 320.849 3.601 20 30 DGEDHN COC(=O)c1cccc(CN(CC(C)C)CC(C)C)c1C#N ZINC000535980628 435367059 /nfs/dbraw/zinc/36/70/59/435367059.db2.gz MOHGQYZVFVUKGA-UHFFFAOYSA-N 0 3 302.418 3.459 20 30 DGEDHN Cc1nnc(SCCN2C[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000515312800 435474519 /nfs/dbraw/zinc/47/45/19/435474519.db2.gz QGWZRHUZYGDFGB-RYUDHWBXSA-N 0 3 304.463 3.035 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644425080 435442463 /nfs/dbraw/zinc/44/24/63/435442463.db2.gz IJPDFYURMNEGEV-HIFRSBDPSA-N 0 3 315.335 3.187 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000568517147 435443927 /nfs/dbraw/zinc/44/39/27/435443927.db2.gz ZXTZYNXOPVJSCC-LRDDRELGSA-N 0 3 323.352 3.121 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)C)C1 ZINC000483269423 435505951 /nfs/dbraw/zinc/50/59/51/435505951.db2.gz LLDLIPVTROGXAO-RVKKMQEKSA-N 0 3 307.482 3.187 20 30 DGEDHN N#Cc1ccncc1N1CCN(CCC2CCCCCC2)CC1 ZINC000515961352 435508964 /nfs/dbraw/zinc/50/89/64/435508964.db2.gz IBMFHAAYLWMQPG-UHFFFAOYSA-N 0 3 312.461 3.436 20 30 DGEDHN C=CCN1CCC(NC(=O)C2CC(c3ccc(F)cc3)C2)CC1 ZINC000644794783 435514092 /nfs/dbraw/zinc/51/40/92/435514092.db2.gz SDTJLGNLZJISPH-UHFFFAOYSA-N 0 3 316.420 3.086 20 30 DGEDHN CN(CCOc1cccc(C#N)c1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000569255097 435518021 /nfs/dbraw/zinc/51/80/21/435518021.db2.gz UMMGYASPXMPYBY-UHFFFAOYSA-N 0 3 312.417 3.090 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2OC(F)F)[C@@H]2CCO[C@H]21 ZINC000569315990 435522543 /nfs/dbraw/zinc/52/25/43/435522543.db2.gz CDIMMLYHAJBTRA-NWANDNLSSA-N 0 3 322.355 3.063 20 30 DGEDHN COC(=O)c1oc([C@@H](C)N2CCC(CCC#N)CC2)cc1C ZINC000568979767 435488718 /nfs/dbraw/zinc/48/87/18/435488718.db2.gz OVLZZWCRIKUIKL-CYBMUJFWSA-N 0 3 304.390 3.451 20 30 DGEDHN C=CCN(CCOC)CCOc1ccccc1C(F)(F)F ZINC000484559749 435548030 /nfs/dbraw/zinc/54/80/30/435548030.db2.gz GASSKTKFMQZRFZ-UHFFFAOYSA-N 0 3 303.324 3.219 20 30 DGEDHN N#Cc1c(CN2CCC[C@H]2[C@H]2CCCOC2)cn2ccccc12 ZINC000569689878 435552408 /nfs/dbraw/zinc/55/24/08/435552408.db2.gz UBKUNSVKZWHPNY-YJBOKZPZSA-N 0 3 309.413 3.202 20 30 DGEDHN N#Cc1c(CN2CCC[C@@H]2[C@@H]2CCCOC2)cn2ccccc12 ZINC000569689867 435552932 /nfs/dbraw/zinc/55/29/32/435552932.db2.gz UBKUNSVKZWHPNY-CRAIPNDOSA-N 0 3 309.413 3.202 20 30 DGEDHN CN(C[C@@H]1CCCN1C)c1c(C#N)cnc2c(Cl)cccc21 ZINC000517363900 435590409 /nfs/dbraw/zinc/59/04/09/435590409.db2.gz NCOKMFAZYADNPK-ZDUSSCGKSA-N 0 3 314.820 3.290 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000540556704 435608248 /nfs/dbraw/zinc/60/82/48/435608248.db2.gz MECJEDMARXBGGV-SJLPKXTDSA-N 0 3 317.477 3.203 20 30 DGEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000486798128 435614768 /nfs/dbraw/zinc/61/47/68/435614768.db2.gz JYAKZIOLIOLVMN-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C(C)C)on1)C(C)C ZINC000486915661 435620364 /nfs/dbraw/zinc/62/03/64/435620364.db2.gz HBBBJRWZUXQFOJ-INIZCTEOSA-N 0 3 319.449 3.226 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540881924 435622778 /nfs/dbraw/zinc/62/27/78/435622778.db2.gz PECHCRKYUIQFBI-HNNXBMFYSA-N 0 3 319.836 3.206 20 30 DGEDHN CC(C)[C@H]1CN(c2ccc(Br)cc2C#N)CCN1C ZINC000487107900 435623689 /nfs/dbraw/zinc/62/36/89/435623689.db2.gz DHADHXBHODOCCG-OAHLLOKOSA-N 0 3 322.250 3.097 20 30 DGEDHN Cc1cc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1C#N ZINC000488125213 435635685 /nfs/dbraw/zinc/63/56/85/435635685.db2.gz LFWVWPMUCJCELN-MSOLQXFVSA-N 0 3 316.470 3.353 20 30 DGEDHN C[C@H]1C[C@H]1N1CCN(c2cc(Cl)ccc2C#N)C[C@@H](C)C1 ZINC000488757731 435642101 /nfs/dbraw/zinc/64/21/01/435642101.db2.gz ZSZHGUCIQURMLY-HEHGZKQESA-N 0 3 303.837 3.378 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](COC)C(C)C ZINC000541596061 435643969 /nfs/dbraw/zinc/64/39/69/435643969.db2.gz ZPFGXWVQLYTWBR-HNNXBMFYSA-N 0 3 322.474 3.164 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC1CC(C(F)(F)F)C1 ZINC000490918888 435689636 /nfs/dbraw/zinc/68/96/36/435689636.db2.gz KRDBEXJYSAHGNI-HSBZDZAISA-N 0 3 310.319 3.216 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NCCN(C)CCCC ZINC000491064420 435701869 /nfs/dbraw/zinc/70/18/69/435701869.db2.gz HELPGZGEODZCAF-UHFFFAOYSA-N 0 3 309.498 3.496 20 30 DGEDHN C#C[C@H](NC(=N)Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000491668907 435791834 /nfs/dbraw/zinc/79/18/34/435791834.db2.gz WWECRMVLTSCHNE-AWEZNQCLSA-N 0 3 303.287 3.415 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(OCC)ccc2Cl)CC1 ZINC000491727160 435802497 /nfs/dbraw/zinc/80/24/97/435802497.db2.gz LDMZRSITOTUQCA-UHFFFAOYSA-N 0 3 320.820 3.022 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(CSCC)cc2)CC1 ZINC000491739111 435803469 /nfs/dbraw/zinc/80/34/69/435803469.db2.gz TWTZLTYAPXBWNW-UHFFFAOYSA-N 0 3 316.470 3.223 20 30 DGEDHN C#C[C@H](CC)NCc1cc(Br)c(O)c(OCC)c1 ZINC000491767308 435808590 /nfs/dbraw/zinc/80/85/90/435808590.db2.gz IKHMOTZKYLMORO-LLVKDONJSA-N 0 3 312.207 3.055 20 30 DGEDHN C[C@H](NCc1cc(C#N)ccc1Br)[C@H]1CCCOC1 ZINC000491800449 435813861 /nfs/dbraw/zinc/81/38/61/435813861.db2.gz BVPHRUSZVWKOOH-AAEUAGOBSA-N 0 3 323.234 3.225 20 30 DGEDHN CC#CC[C@@H](CO)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000641768616 435814960 /nfs/dbraw/zinc/81/49/60/435814960.db2.gz DGVHQCACIRAYTH-KRWDZBQOSA-N 0 3 310.397 3.046 20 30 DGEDHN C=CC[C@H]1CC[C@H](NCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000651751238 435815870 /nfs/dbraw/zinc/81/58/70/435815870.db2.gz PXHHCZMHTATJHT-HOCLYGCPSA-N 0 3 302.418 3.358 20 30 DGEDHN C=CCN1CCC(NC(=O)NC2CCC(C3CCC3)CC2)CC1 ZINC000660705498 435867917 /nfs/dbraw/zinc/86/79/17/435867917.db2.gz VIRNYVVQNOHKGH-UHFFFAOYSA-N 0 3 319.493 3.295 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1CCCc2c1ccc(=O)n2C ZINC000652044596 435895114 /nfs/dbraw/zinc/89/51/14/435895114.db2.gz QAVNCPICUVDECC-QGZVFWFLSA-N 0 3 324.424 3.117 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2SC)CC1 ZINC000646553471 435898863 /nfs/dbraw/zinc/89/88/63/435898863.db2.gz ZDDQSPDNMUYXPS-UHFFFAOYSA-N 0 3 323.437 3.320 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000665392720 435966095 /nfs/dbraw/zinc/96/60/95/435966095.db2.gz CSIIWGHOGYHVKZ-NCOADZHNSA-N 0 3 307.482 3.245 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000665395022 435968748 /nfs/dbraw/zinc/96/87/48/435968748.db2.gz ZNTJMJDBJLFHFN-ZACQAIPSSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1nnc(C(C)C)s1 ZINC000661114813 435970051 /nfs/dbraw/zinc/97/00/51/435970051.db2.gz MSRDSIUESGNWGS-CHWSQXEVSA-N 0 3 322.478 3.325 20 30 DGEDHN C=CCN(CC[C@H]1Sc2ccccc2NC1=O)[C@H](C)COC ZINC000661240964 436003996 /nfs/dbraw/zinc/00/39/96/436003996.db2.gz UOFXAGNUHVWPPO-CZUORRHYSA-N 0 3 320.458 3.012 20 30 DGEDHN C=CCN(CCC(=O)Nc1cccc(Cl)c1)[C@H](C)COC ZINC000661241815 436004944 /nfs/dbraw/zinc/00/49/44/436004944.db2.gz BQGCYABMLBJFMG-CYBMUJFWSA-N 0 3 310.825 3.192 20 30 DGEDHN C=CCN(CCCc1nc(-c2cccs2)no1)[C@H](C)COC ZINC000661248152 436009044 /nfs/dbraw/zinc/00/90/44/436009044.db2.gz SHPLUSFWCOOHQH-CYBMUJFWSA-N 0 3 321.446 3.254 20 30 DGEDHN OC[C@@H]1CN(CC#Cc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000661665566 436141635 /nfs/dbraw/zinc/14/16/35/436141635.db2.gz ILDRKCIBUXWCRV-LEWJYISDSA-N 0 3 305.421 3.136 20 30 DGEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)nn1 ZINC000657387545 436172663 /nfs/dbraw/zinc/17/26/63/436172663.db2.gz WYBNEDOWHSRKIX-GXTWGEPZSA-N 0 3 316.371 3.313 20 30 DGEDHN C=CCCn1cc(CN[C@H](CC)Cc2ccc(F)cc2)nn1 ZINC000657546840 436242248 /nfs/dbraw/zinc/24/22/48/436242248.db2.gz ALZMXHIXMOENCL-MRXNPFEDSA-N 0 3 302.397 3.104 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)nn1 ZINC000657452861 436207749 /nfs/dbraw/zinc/20/77/49/436207749.db2.gz LREYKCZDHIOJSP-DOTOQJQBSA-N 0 3 314.408 3.419 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(F)ccc1OC(F)F ZINC000657455675 436209924 /nfs/dbraw/zinc/20/99/24/436209924.db2.gz WKCFKGQQDQRFLL-XHDPSFHLSA-N 0 3 315.335 3.498 20 30 DGEDHN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]1(C)CO ZINC000662141238 436286732 /nfs/dbraw/zinc/28/67/32/436286732.db2.gz KGEKNXXTXIXCND-BBRMVZONSA-N 0 3 311.347 3.007 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000662079776 436267751 /nfs/dbraw/zinc/26/77/51/436267751.db2.gz MELJJHBHDURPNW-BMFZPTHFSA-N 0 3 316.470 3.204 20 30 DGEDHN C=CCc1cc(CNC[C@@H]2CCC[C@@H](C)O2)cc(OC)c1O ZINC000657663092 436270032 /nfs/dbraw/zinc/27/00/32/436270032.db2.gz DSJLEUKPTAYBRH-CJNGLKHVSA-N 0 3 305.418 3.177 20 30 DGEDHN C=CCOCCCN[C@@H](COC)c1cccc(Cl)c1F ZINC000658206594 436400728 /nfs/dbraw/zinc/40/07/28/436400728.db2.gz OYJBZACRXVAWJO-AWEZNQCLSA-N 0 3 301.789 3.349 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC(CC)(CC)c1ccc(F)cc1 ZINC000663313223 436435933 /nfs/dbraw/zinc/43/59/33/436435933.db2.gz VAKWQKVODKMUMG-CQSZACIVSA-N 0 3 306.425 3.164 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000663415795 436457856 /nfs/dbraw/zinc/45/78/56/436457856.db2.gz IDNKMHZNUPVQPA-SJLPKXTDSA-N 0 3 315.461 3.287 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(N3CCCC3)c2)nc(C)n1 ZINC000659024404 436459263 /nfs/dbraw/zinc/45/92/63/436459263.db2.gz BTUPXLOGXQPHMN-KRWDZBQOSA-N 0 3 320.396 3.184 20 30 DGEDHN C=CCC[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccco1 ZINC000658304946 436424356 /nfs/dbraw/zinc/42/43/56/436424356.db2.gz IALOTNIOWKTGIY-CVEARBPZSA-N 0 3 317.433 3.167 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2OC(C)(C)C3)nc(C)n1 ZINC000654970046 436479034 /nfs/dbraw/zinc/47/90/34/436479034.db2.gz VBOWOFRAEBUJFV-OAHLLOKOSA-N 0 3 321.380 3.297 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000659519016 436513455 /nfs/dbraw/zinc/51/34/55/436513455.db2.gz BWCUSDAUCQJTNY-IXDOHACOSA-N 0 3 301.434 3.121 20 30 DGEDHN C=CCN(CCc1nnn(C(C)(C)C)n1)CC1CCCCC1 ZINC000659919805 436559727 /nfs/dbraw/zinc/55/97/27/436559727.db2.gz LAAUAATUGJMURS-UHFFFAOYSA-N 0 3 305.470 3.039 20 30 DGEDHN C=CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000664127708 436560900 /nfs/dbraw/zinc/56/09/00/436560900.db2.gz WQFOTPVDBXRDBT-KRWDZBQOSA-N 0 3 301.434 3.089 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)N1CCCCC1 ZINC000660249550 436612907 /nfs/dbraw/zinc/61/29/07/436612907.db2.gz LZWGBFGUJQRNLA-IYBDPMFKSA-N 0 3 305.466 3.144 20 30 DGEDHN N#C[C@H]1CCC[C@H](NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000185757395 303167023 /nfs/dbraw/zinc/16/70/23/303167023.db2.gz LJHFRHLJVXHBNQ-ULQDDVLXSA-N 0 3 301.434 3.479 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000133989831 312680893 /nfs/dbraw/zinc/68/08/93/312680893.db2.gz GLDCRVOIOLRLSQ-OALUTQOASA-N 0 3 319.408 3.423 20 30 DGEDHN N#Cc1ccc(CNCCNc2ncc(Cl)cc2Cl)cc1 ZINC000177371181 312780706 /nfs/dbraw/zinc/78/07/06/312780706.db2.gz OMAJEWYNLURCJT-UHFFFAOYSA-N 0 3 321.211 3.462 20 30 DGEDHN COC(=O)CC1(NCc2ccc(F)c(C#N)c2)CCCCC1 ZINC000533390322 313617605 /nfs/dbraw/zinc/61/76/05/313617605.db2.gz SASPNSYLVWYSOH-UHFFFAOYSA-N 0 3 304.365 3.053 20 30 DGEDHN N#Cc1ccc(OCCN[C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000542494734 314079733 /nfs/dbraw/zinc/07/97/33/314079733.db2.gz YDYHZNPSKKEIDP-KRWDZBQOSA-N 0 3 321.380 3.000 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000544897148 314216737 /nfs/dbraw/zinc/21/67/37/314216737.db2.gz HACUHSHTBBEEGS-HNNXBMFYSA-N 0 3 307.397 3.464 20 30 DGEDHN CCCC[C@@H](CC)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000546932169 314336916 /nfs/dbraw/zinc/33/69/16/314336916.db2.gz QWTSVJITSOZNOG-HZPDHXFCSA-N 0 3 315.465 3.075 20 30 DGEDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558460960 314845269 /nfs/dbraw/zinc/84/52/69/314845269.db2.gz ZTAOLSZUVDXFJW-IINYFYTJSA-N 0 3 317.458 3.214 20 30 DGEDHN C[C@H]1C[C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2nccn21 ZINC000572590529 315803290 /nfs/dbraw/zinc/80/32/90/315803290.db2.gz ZRKLMBJECLZDDI-KBXCAEBGSA-N 0 3 321.428 3.019 20 30 DGEDHN CN1CC[C@@H](Nc2ncc3c(c2C#N)CCC3)[C@H]1c1ccccc1 ZINC000574983999 316021604 /nfs/dbraw/zinc/02/16/04/316021604.db2.gz RLRKAQDPYGHJCL-RTBURBONSA-N 0 3 318.424 3.299 20 30 DGEDHN CN1CC[C@H](Nc2ncc3c(c2C#N)CCC3)[C@H]1c1ccccc1 ZINC000574983998 316021867 /nfs/dbraw/zinc/02/18/67/316021867.db2.gz RLRKAQDPYGHJCL-RBUKOAKNSA-N 0 3 318.424 3.299 20 30 DGEDHN COc1ccc(CN[C@H]2CCC[C@@H]2F)cc1OCCCC#N ZINC000339581335 533703350 /nfs/dbraw/zinc/70/33/50/533703350.db2.gz BYWILYXVTUTQIK-GJZGRUSLSA-N 0 3 306.381 3.358 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccccc2)C2CC2)cc1 ZINC000194552057 323478145 /nfs/dbraw/zinc/47/81/45/323478145.db2.gz HBPZVKOFQWJPES-LJQANCHMSA-N 0 3 305.381 3.238 20 30 DGEDHN Cc1cc(NC2CCN([C@H](C)c3ccccc3)CC2)cc(C#N)n1 ZINC000581063825 324068999 /nfs/dbraw/zinc/06/89/99/324068999.db2.gz SIMSLGYROOAKHK-MRXNPFEDSA-N 0 3 320.440 3.321 20 30 DGEDHN CCCn1ccc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000583232156 324328800 /nfs/dbraw/zinc/32/88/00/324328800.db2.gz SPNARPIFYMCIGM-UHFFFAOYSA-N 0 3 311.429 3.418 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)C2(C#N)CCCC2)N(C)C)cc1 ZINC000032733946 331637849 /nfs/dbraw/zinc/63/78/49/331637849.db2.gz KWTKJAMGOOSJJB-QGZVFWFLSA-N 0 3 313.445 3.052 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000255516843 331762018 /nfs/dbraw/zinc/76/20/18/331762018.db2.gz PCFQZMZMCXURFV-FPLPWBNLSA-N 0 3 321.424 3.015 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC(C)(C)C)CC(C)(C)C ZINC000557571764 331799887 /nfs/dbraw/zinc/79/98/87/331799887.db2.gz NMAAMYISTGMLQM-HNNXBMFYSA-N 0 3 309.498 3.389 20 30 DGEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000181306846 332190628 /nfs/dbraw/zinc/19/06/28/332190628.db2.gz FLLVCRPEKBFRDL-GFCCVEGCSA-N 0 3 304.217 3.241 20 30 DGEDHN C=CCNC(=O)[C@H](C)S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564966261 332310038 /nfs/dbraw/zinc/31/00/38/332310038.db2.gz MWOKYJWJSIMYPK-RDJZCZTQSA-N 0 3 318.486 3.075 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1C)C(C)C ZINC000564501157 332387958 /nfs/dbraw/zinc/38/79/58/332387958.db2.gz YCNWGURTIUWYKX-IXDOHACOSA-N 0 3 307.482 3.125 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)Nc1cnccc1NC(CC)CC ZINC000570487127 332761471 /nfs/dbraw/zinc/76/14/71/332761471.db2.gz XSPWIQUAVDEIQZ-ZDUSSCGKSA-N 0 3 305.422 3.024 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000497266867 333230122 /nfs/dbraw/zinc/23/01/22/333230122.db2.gz AITQZCSPMJPKQN-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN C=CC[C@H](C(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000188254122 333362225 /nfs/dbraw/zinc/36/22/25/333362225.db2.gz YZQJLACAEDWJBT-SFHVURJKSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000295685353 335137061 /nfs/dbraw/zinc/13/70/61/335137061.db2.gz VZMSRWSOOPIVRM-OAHLLOKOSA-N 0 3 306.475 3.340 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(Br)cs1 ZINC000320184207 333447718 /nfs/dbraw/zinc/44/77/18/333447718.db2.gz AAWISRISKVKNPX-ONGXEEELSA-N 0 3 304.253 3.488 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000563532157 333620541 /nfs/dbraw/zinc/62/05/41/333620541.db2.gz JDPJNUVFYCFHDA-GOSISDBHSA-N 0 3 322.412 3.258 20 30 DGEDHN N#CCCOCCN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000293548913 334198971 /nfs/dbraw/zinc/19/89/71/334198971.db2.gz KYENJAHQIFYQEJ-UHFFFAOYSA-N 0 3 315.392 3.417 20 30 DGEDHN C=CCOc1cccc(CNC[C@@H]2NCCc3ccccc32)c1 ZINC000414964406 334214008 /nfs/dbraw/zinc/21/40/08/334214008.db2.gz YGQMWWDTGKSAES-FQEVSTJZSA-N 0 3 308.425 3.228 20 30 DGEDHN COc1ccc(CN2CC[C@H](SC)C2)cc1OCCCC#N ZINC000295140929 334219859 /nfs/dbraw/zinc/21/98/59/334219859.db2.gz ZQXFYFQWLDTBMR-HNNXBMFYSA-N 0 3 320.458 3.315 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000534578872 334288644 /nfs/dbraw/zinc/28/86/44/334288644.db2.gz ZVYMIAIYYFKLET-KGLIPLIRSA-N 0 3 320.392 3.453 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(OCC)c2)CC1 ZINC000113174182 334735621 /nfs/dbraw/zinc/73/56/21/334735621.db2.gz UWRVQHUDYXJOSL-UHFFFAOYSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000359455507 336673753 /nfs/dbraw/zinc/67/37/53/336673753.db2.gz JQSSUUHKLVYXCQ-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN C[C@H](NC[C@H]1CN(c2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000584662802 337378636 /nfs/dbraw/zinc/37/86/36/337378636.db2.gz LKWSDMUAJMYDOZ-JXFKEZNVSA-N 0 3 321.424 3.114 20 30 DGEDHN N#CC1(NC(=O)CN[C@H](c2ccccc2)C2CCCC2)CCC1 ZINC000527128175 337732719 /nfs/dbraw/zinc/73/27/19/337732719.db2.gz KUCSBYJXLAUAQT-GOSISDBHSA-N 0 3 311.429 3.070 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000537605491 337947349 /nfs/dbraw/zinc/94/73/49/337947349.db2.gz OXJJYTHXNYDDDY-LJQANCHMSA-N 0 3 300.446 3.252 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449700007 338647044 /nfs/dbraw/zinc/64/70/44/338647044.db2.gz RYJBAHQHMLMDAN-CQSZACIVSA-N 0 3 316.357 3.272 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC(=O)CC)c(OCC)c1)C(C)C ZINC000491338706 339858418 /nfs/dbraw/zinc/85/84/18/339858418.db2.gz KRKAIQTTWZGXMR-OAHLLOKOSA-N 0 3 303.402 3.148 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N([C@H](C)C(C)C)C2CC2)CC1 ZINC000086394404 339920736 /nfs/dbraw/zinc/92/07/36/339920736.db2.gz QIRMMRKPFJVDKC-OAHLLOKOSA-N 0 3 307.482 3.245 20 30 DGEDHN C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1CO ZINC000499053513 340028568 /nfs/dbraw/zinc/02/85/68/340028568.db2.gz HSROFJADNFUUBX-BBRMVZONSA-N 0 3 311.347 3.150 20 30 DGEDHN CC#CCCNCC1=Cc2cc(Br)ccc2OC1 ZINC000499219235 340032682 /nfs/dbraw/zinc/03/26/82/340032682.db2.gz ZWRLLGCGHLSCEK-UHFFFAOYSA-N 0 3 306.203 3.228 20 30 DGEDHN C=CCN1CC[C@H](NC(C)(C)c2ccc(OCCC)cc2)C1=O ZINC000499784226 340044748 /nfs/dbraw/zinc/04/47/48/340044748.db2.gz DVOVLQWOZABZJG-KRWDZBQOSA-N 0 3 316.445 3.087 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000501484784 340082110 /nfs/dbraw/zinc/08/21/10/340082110.db2.gz ZMPVFDRULPTLME-CVEARBPZSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1ccco1)C(C)C ZINC000503434133 340128162 /nfs/dbraw/zinc/12/81/62/340128162.db2.gz DFHSDWDWBCNHFR-QGZVFWFLSA-N 0 3 319.449 3.120 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N(CC)CC ZINC000505693201 340175057 /nfs/dbraw/zinc/17/50/57/340175057.db2.gz DCHPTXHBNLVVLT-GJZGRUSLSA-N 0 3 307.825 3.141 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CCCC1)C(C)C ZINC000509240421 340264341 /nfs/dbraw/zinc/26/43/41/340264341.db2.gz PIRDUSMUFBNDEB-KRWDZBQOSA-N 0 3 307.482 3.269 20 30 DGEDHN C=C(C)CCN1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000509655353 340275899 /nfs/dbraw/zinc/27/58/99/340275899.db2.gz BTLPDKBBJXSILT-OAHLLOKOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000509853594 340281689 /nfs/dbraw/zinc/28/16/89/340281689.db2.gz LWIRYCMYEQLBLX-UHFFFAOYSA-N 0 3 308.853 3.303 20 30 DGEDHN CC(C)(C#N)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000512443833 340362006 /nfs/dbraw/zinc/36/20/06/340362006.db2.gz HXWQTAWIVUFRQV-LBPRGKRZSA-N 0 3 307.235 3.446 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000513192785 340396436 /nfs/dbraw/zinc/39/64/36/340396436.db2.gz RFNPDSRTMBJHCR-AWEZNQCLSA-N 0 3 320.864 3.432 20 30 DGEDHN CCN(CCCC(C)(C)C#N)CC(=O)NCc1ccc(F)cc1 ZINC000174808460 340396560 /nfs/dbraw/zinc/39/65/60/340396560.db2.gz OJMBRAXYGRPOHZ-UHFFFAOYSA-N 0 3 319.424 3.094 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C/c2cccc(F)c2)CC1 ZINC000176523373 340428233 /nfs/dbraw/zinc/42/82/33/340428233.db2.gz JPKWIOTZUXSYPV-GQCTYLIASA-N 0 3 316.420 3.386 20 30 DGEDHN N#CCCNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517126955 340464311 /nfs/dbraw/zinc/46/43/11/340464311.db2.gz IKOOPLFRJSGXJT-UHFFFAOYSA-N 0 3 312.244 3.461 20 30 DGEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000526002203 340708313 /nfs/dbraw/zinc/70/83/13/340708313.db2.gz HMJCNHIUCLFDFB-KRWDZBQOSA-N 0 3 313.445 3.044 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(C#N)(CC)CC ZINC000528382099 340716034 /nfs/dbraw/zinc/71/60/34/340716034.db2.gz VOCUBUJQTKYXQW-UHFFFAOYSA-N 0 3 315.461 3.427 20 30 DGEDHN C=CC[C@H](CO)CNCc1csc(-c2ccc(C)cc2)n1 ZINC000538122587 340810481 /nfs/dbraw/zinc/81/04/81/340810481.db2.gz IGNVXUURBNJGKC-AWEZNQCLSA-N 0 3 302.443 3.393 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H](C)N1CCCC1)c1ccccc1 ZINC000547665124 341226199 /nfs/dbraw/zinc/22/61/99/341226199.db2.gz RSDMMFRMDZBAGF-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000077865825 341231923 /nfs/dbraw/zinc/23/19/23/341231923.db2.gz FXEHVGKYZCMZBA-LBPRGKRZSA-N 0 3 301.689 3.133 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(CN(CCC#N)CC2CC2)CC1 ZINC000081065602 341279061 /nfs/dbraw/zinc/27/90/61/341279061.db2.gz PTZWMLXYCWCJQD-UHFFFAOYSA-N 0 3 321.465 3.259 20 30 DGEDHN Cc1ccccc1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000550127869 341310619 /nfs/dbraw/zinc/31/06/19/341310619.db2.gz RDQDTCYQLPUYAO-IBGZPJMESA-N 0 3 306.409 3.426 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246138714 341328887 /nfs/dbraw/zinc/32/88/87/341328887.db2.gz FZTWKLMGGQPOKJ-QLPKVWCKSA-N 0 3 307.482 3.151 20 30 DGEDHN CC[C@H](CC#N)N[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246157844 341330098 /nfs/dbraw/zinc/33/00/98/341330098.db2.gz HWRSCFYJENIUIY-RBSFLKMASA-N 0 3 309.454 3.446 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000552003932 341358992 /nfs/dbraw/zinc/35/89/92/341358992.db2.gz CRNVEMMQFGFISO-HNNXBMFYSA-N 0 3 306.475 3.303 20 30 DGEDHN C=CCOc1cccc(CN(C)C[C@@H](O)Cc2ccccc2)c1 ZINC000552072715 341367749 /nfs/dbraw/zinc/36/77/49/341367749.db2.gz XSHNBNRIUDLDFU-IBGZPJMESA-N 0 3 311.425 3.287 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248866402 341388853 /nfs/dbraw/zinc/38/88/53/341388853.db2.gz QDPLOQQIIADPHQ-QFBILLFUSA-N 0 3 312.457 3.392 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000249028638 341392276 /nfs/dbraw/zinc/39/22/76/341392276.db2.gz AXOUEIYLHRIFEV-HHXXYDBFSA-N 0 3 300.446 3.368 20 30 DGEDHN CC(C)N(CCC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000555138572 341475895 /nfs/dbraw/zinc/47/58/95/341475895.db2.gz WIESZBOVJRDJNB-UHFFFAOYSA-N 0 3 313.445 3.437 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Oc2cnccn2)cc1 ZINC000556158947 341495847 /nfs/dbraw/zinc/49/58/47/341495847.db2.gz ZHEQSXJSQNVWRQ-SJORKVTESA-N 0 3 311.385 3.092 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CC(C)C)C2)CC1 ZINC000155596016 341610019 /nfs/dbraw/zinc/61/00/19/341610019.db2.gz MLZGHGGHWOZOHQ-QGZVFWFLSA-N 0 3 321.509 3.495 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C(C)(F)F ZINC001691289745 1176427009 /nfs/dbraw/zinc/42/70/09/1176427009.db2.gz QGDAUAMDUJFURX-CMPLNLGQSA-N 0 3 308.800 3.001 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001691740458 1177974977 /nfs/dbraw/zinc/97/49/77/1177974977.db2.gz VHCQASDDADYNGI-ZOWXZIJZSA-N 0 3 319.276 3.392 20 30 DGEDHN C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000192932347 533924155 /nfs/dbraw/zinc/92/41/55/533924155.db2.gz XCGKNQVFUKJSIC-AWEZNQCLSA-N 0 3 324.380 3.211 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncc(C#N)cc2F)C1 ZINC000413071963 534132713 /nfs/dbraw/zinc/13/27/13/534132713.db2.gz MJNDJBSDVRUESS-CZUORRHYSA-N 0 3 310.376 3.340 20 30 DGEDHN C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1=CCN(C)CC1 ZINC000330760157 534279928 /nfs/dbraw/zinc/27/99/28/534279928.db2.gz GOMFYVJMOLQDPV-NSHDSACASA-N 0 3 318.808 3.188 20 30 DGEDHN CC(C#N)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000357803934 534281645 /nfs/dbraw/zinc/28/16/45/534281645.db2.gz LDQQMJJDIMYFQN-CQSZACIVSA-N 0 3 321.355 3.386 20 30 DGEDHN C=C(C)[C@H](NC1CCN(C(=O)OC)CC1)c1ccc(F)c(F)c1 ZINC000495555594 534338320 /nfs/dbraw/zinc/33/83/20/534338320.db2.gz GNHLUEAVJQMMMB-INIZCTEOSA-N 0 3 324.371 3.402 20 30 DGEDHN C=C(CC)CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000454843341 534413063 /nfs/dbraw/zinc/41/30/63/534413063.db2.gz SYCYAVQLQAFHKC-UHFFFAOYSA-N 0 3 305.422 3.023 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470184823 534513855 /nfs/dbraw/zinc/51/38/55/534513855.db2.gz XRPCUQUMKZRMMO-LPHOPBHVSA-N 0 3 312.457 3.479 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NCCCN(C)Cc1ccccc1 ZINC000494233292 534547010 /nfs/dbraw/zinc/54/70/10/534547010.db2.gz HNFCIBPVLLRUNO-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494176609 534550334 /nfs/dbraw/zinc/55/03/34/534550334.db2.gz QNVABGVMNHFRFX-QZTJIDSGSA-N 0 3 313.445 3.011 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(Br)c1F ZINC000449546239 534573502 /nfs/dbraw/zinc/57/35/02/534573502.db2.gz BBWJVOMORKUOCR-OLZOCXBDSA-N 0 3 314.198 3.411 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1csc(Br)c1 ZINC000449546655 534574890 /nfs/dbraw/zinc/57/48/90/534574890.db2.gz CWXMLRNXLQKUEY-MNOVXSKESA-N 0 3 302.237 3.334 20 30 DGEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CCCC1 ZINC000452128573 534585174 /nfs/dbraw/zinc/58/51/74/534585174.db2.gz VETTWKQDMXTSCX-IXDOHACOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCC1(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CCCC1 ZINC000459057896 534600057 /nfs/dbraw/zinc/60/00/57/534600057.db2.gz ZBTGWWOPCGLZLL-DLBZAZTESA-N 0 3 319.493 3.249 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000451610311 534608391 /nfs/dbraw/zinc/60/83/91/534608391.db2.gz YQIHKEPWOIERFI-XKQJLSEDSA-N 0 3 302.418 3.072 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)cc1F ZINC000449518088 534609200 /nfs/dbraw/zinc/60/92/00/534609200.db2.gz IJJAZBPPDKIIGN-OLZOCXBDSA-N 0 3 300.171 3.021 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000451599037 534610415 /nfs/dbraw/zinc/61/04/15/534610415.db2.gz MUJFKZRZWWUERG-JFTQMJAMSA-N 0 3 316.445 3.460 20 30 DGEDHN N#CCCCNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000344370003 534613900 /nfs/dbraw/zinc/61/39/00/534613900.db2.gz XUCYGTBGPAUYRT-UHFFFAOYSA-N 0 3 317.396 3.328 20 30 DGEDHN N#CCCCNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000344320793 534612334 /nfs/dbraw/zinc/61/23/34/534612334.db2.gz DSHKJPMLODSVNP-UHFFFAOYSA-N 0 3 317.396 3.328 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@H](COC(F)F)C2)c1 ZINC000348871857 534615138 /nfs/dbraw/zinc/61/51/38/534615138.db2.gz YSHQJFXYMZLIRG-HNNXBMFYSA-N 0 3 324.371 3.430 20 30 DGEDHN N#CCCCOc1cccc(CN2CCN(C3CCC3)CC2)c1 ZINC000353462496 534615751 /nfs/dbraw/zinc/61/57/51/534615751.db2.gz JEQWRZXMQAXIJV-UHFFFAOYSA-N 0 3 313.445 3.039 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC001658487588 1196262624 /nfs/dbraw/zinc/26/26/24/1196262624.db2.gz ILKJBHRQEJKRGA-LBPRGKRZSA-N 0 3 304.217 3.419 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000449182187 534697604 /nfs/dbraw/zinc/69/76/04/534697604.db2.gz BAMJNVZLWLCMEK-STQMWFEESA-N 0 3 318.425 3.276 20 30 DGEDHN N#CCSCCCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347335100 534703991 /nfs/dbraw/zinc/70/39/91/534703991.db2.gz JHEKJRKIKUMZGR-HUUCEWRRSA-N 0 3 322.499 3.134 20 30 DGEDHN N#CCc1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000342676154 534717317 /nfs/dbraw/zinc/71/73/17/534717317.db2.gz YBXBWJMQPOZUDV-UHFFFAOYSA-N 0 3 319.408 3.016 20 30 DGEDHN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1C#N ZINC000174323734 524073085 /nfs/dbraw/zinc/07/30/85/524073085.db2.gz CXPZWXWZIXGSIC-UHFFFAOYSA-N 0 3 313.376 3.062 20 30 DGEDHN N#Cc1ccccc1N1CCCN(CC2CC(F)(F)C2)CC1 ZINC000295651795 534816471 /nfs/dbraw/zinc/81/64/71/534816471.db2.gz ZHSXVBOTLUWJMU-UHFFFAOYSA-N 0 3 305.372 3.116 20 30 DGEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424171903 534878282 /nfs/dbraw/zinc/87/82/82/534878282.db2.gz MLUOJEKZSKOLPX-CHWSQXEVSA-N 0 3 322.478 3.116 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000494419870 534889718 /nfs/dbraw/zinc/88/97/18/534889718.db2.gz XCNNBNVZCSWVPT-AWEZNQCLSA-N 0 3 309.454 3.163 20 30 DGEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000185307487 526289417 /nfs/dbraw/zinc/28/94/17/526289417.db2.gz CFBLVIIHQLRLGG-UHFFFAOYSA-N 0 3 322.399 3.049 20 30 DGEDHN CC#CCCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000156652494 526307631 /nfs/dbraw/zinc/30/76/31/526307631.db2.gz KLEOEXKUXGWWQD-UHFFFAOYSA-N 0 3 324.468 3.303 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418458978 526308432 /nfs/dbraw/zinc/30/84/32/526308432.db2.gz XXTHJXLSOYRFFL-LJQANCHMSA-N 0 3 323.440 3.127 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000353119395 526320374 /nfs/dbraw/zinc/32/03/74/526320374.db2.gz WREMTCGKRHBRIM-MRXNPFEDSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCN(C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357534799 526329875 /nfs/dbraw/zinc/32/98/75/526329875.db2.gz XXIWBAIYGILVKL-CXAGYDPISA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCN(C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CC1 ZINC000357557764 526329899 /nfs/dbraw/zinc/32/98/99/526329899.db2.gz ZQHSVVGPKWBCCM-AWEZNQCLSA-N 0 3 315.335 3.096 20 30 DGEDHN C=CCN(C[C@H](O)COc1ccc(/C=C/C)cc1OC)C1CC1 ZINC000357551444 526331071 /nfs/dbraw/zinc/33/10/71/526331071.db2.gz ISGCMVIENYWPQY-YXMMZVCTSA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Cl)c(C)c2)CC1 ZINC000183545045 526435591 /nfs/dbraw/zinc/43/55/91/526435591.db2.gz RNPVXNUTNUGSNT-UHFFFAOYSA-N 0 3 321.852 3.098 20 30 DGEDHN C=CCN1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180489024 526452353 /nfs/dbraw/zinc/45/23/53/526452353.db2.gz NQVHHWCJOXTJMM-FQEVSTJZSA-N 0 3 307.441 3.411 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000337171293 526514869 /nfs/dbraw/zinc/51/48/69/526514869.db2.gz DOKAOQKHCBHMEN-BEFAXECRSA-N 0 3 321.424 3.186 20 30 DGEDHN CC(C)(C)OC(=O)c1cccc(CNCC2(CC#N)CC2)c1 ZINC000430054812 526530695 /nfs/dbraw/zinc/53/06/95/526530695.db2.gz BCMRFJBJVPEWRO-UHFFFAOYSA-N 0 3 300.402 3.425 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2C(C)(C)C2(C)C)CC1 ZINC000353712634 526588998 /nfs/dbraw/zinc/58/89/98/526588998.db2.gz BHSIPHSCXFCFLH-UHFFFAOYSA-N 0 3 307.482 3.008 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000352224177 526624609 /nfs/dbraw/zinc/62/46/09/526624609.db2.gz ZMUVWCZOENHSCJ-VQIMIIECSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000352273132 526634955 /nfs/dbraw/zinc/63/49/55/526634955.db2.gz YLCIWJZQJZVPRK-STQMWFEESA-N 0 3 300.377 3.320 20 30 DGEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000355353619 526654371 /nfs/dbraw/zinc/65/43/71/526654371.db2.gz JFQQLWDSOFCKHN-KRWDZBQOSA-N 0 3 313.445 3.444 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(CC)C[C@H]2C)ccc1OC ZINC000348562161 526660016 /nfs/dbraw/zinc/66/00/16/526660016.db2.gz YSDBYHQGNOHWCZ-MRXNPFEDSA-N 0 3 318.461 3.176 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)N(C)[C@H](C)C2)ccc1OC ZINC000354438385 526660789 /nfs/dbraw/zinc/66/07/89/526660789.db2.gz FAASGIBVVQTHSK-HZPDHXFCSA-N 0 3 318.461 3.175 20 30 DGEDHN C#CCC(C)(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000185342659 526665890 /nfs/dbraw/zinc/66/58/90/526665890.db2.gz DPYSFPUXVSWDDY-UHFFFAOYSA-N 0 3 318.486 3.126 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000357686317 526669751 /nfs/dbraw/zinc/66/97/51/526669751.db2.gz PIAHNKHCJWXXHB-GDBMZVCRSA-N 0 3 317.433 3.246 20 30 DGEDHN C=CCOCCCN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353259674 526752588 /nfs/dbraw/zinc/75/25/88/526752588.db2.gz NGPYGBWERRWEFK-MRXNPFEDSA-N 0 3 305.418 3.131 20 30 DGEDHN C=CCOCCCN1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348222560 526752920 /nfs/dbraw/zinc/75/29/20/526752920.db2.gz FICAZNZMEFNLQR-QGZVFWFLSA-N 0 3 307.409 3.399 20 30 DGEDHN C=CCOCCCN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000348058878 526754324 /nfs/dbraw/zinc/75/43/24/526754324.db2.gz VJEIRCMZXMSINF-LBPRGKRZSA-N 0 3 317.355 3.201 20 30 DGEDHN C=CCOCCCN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000348165935 526754818 /nfs/dbraw/zinc/75/48/18/526754818.db2.gz GBESUVPSCIVOKC-LBPRGKRZSA-N 0 3 317.355 3.201 20 30 DGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000355345673 526836020 /nfs/dbraw/zinc/83/60/20/526836020.db2.gz QXDUHEAMFZTZCJ-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(CNC(=O)NCC(C)(C)N1CCCCC1)c1ccccc1 ZINC000349590291 526869862 /nfs/dbraw/zinc/86/98/62/526869862.db2.gz RQGXCLNDLJJMAF-UHFFFAOYSA-N 0 3 315.461 3.264 20 30 DGEDHN C=C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000341993274 526903324 /nfs/dbraw/zinc/90/33/24/526903324.db2.gz LOPCXSIMGGFPIZ-UHFFFAOYSA-N 0 3 323.234 3.430 20 30 DGEDHN C=CCSCCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000105462583 527004027 /nfs/dbraw/zinc/00/40/27/527004027.db2.gz CTRYQTPSEPGFRS-UHFFFAOYSA-N 0 3 301.839 3.366 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000360222951 527044892 /nfs/dbraw/zinc/04/48/92/527044892.db2.gz XCFAMDGCKZVRRX-MSOLQXFVSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000355840009 527047398 /nfs/dbraw/zinc/04/73/98/527047398.db2.gz DTHNTDWYRXPRMQ-HZPDHXFCSA-N 0 3 307.413 3.082 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000341384786 527048364 /nfs/dbraw/zinc/04/83/64/527048364.db2.gz XYAUKQHDYXQOEH-CQSZACIVSA-N 0 3 305.422 3.103 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342099006 527132880 /nfs/dbraw/zinc/13/28/80/527132880.db2.gz HDSSALZWPRRCHK-ZOBUZTSGSA-N 0 3 301.434 3.086 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000360222954 527154900 /nfs/dbraw/zinc/15/49/00/527154900.db2.gz XCFAMDGCKZVRRX-ZWKOTPCHSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCCCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000355188301 527160592 /nfs/dbraw/zinc/16/05/92/527160592.db2.gz ISBBQWCAPSZBLC-MRXNPFEDSA-N 0 3 307.413 3.084 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)c(OC)cc1Cl ZINC000341270285 527186035 /nfs/dbraw/zinc/18/60/35/527186035.db2.gz VKUBQFVTMUIYEF-JTQLQIEISA-N 0 3 304.217 3.276 20 30 DGEDHN C=CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000344521704 527226116 /nfs/dbraw/zinc/22/61/16/527226116.db2.gz QINGWXUZZNVADQ-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCc1cc(CN2C[C@@H](C)N(CC)C[C@@H]2C)cc(OC)c1O ZINC000353801446 527238289 /nfs/dbraw/zinc/23/82/89/527238289.db2.gz FQQCNJCIKKOSDU-CABCVRRESA-N 0 3 318.461 3.044 20 30 DGEDHN C=CCn1cccc1C(=O)N(CCC)CCN1CCCCC1 ZINC000342783651 527379090 /nfs/dbraw/zinc/37/90/90/527379090.db2.gz OYGVUQKIUDUCJH-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000356246043 527421984 /nfs/dbraw/zinc/42/19/84/527421984.db2.gz UVEOZUGRWJLXPH-FXAWDEMLSA-N 0 3 312.457 3.291 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N[C@@H](C(C)=O)C(C)C)c1ccccc1 ZINC000341940938 527445897 /nfs/dbraw/zinc/44/58/97/527445897.db2.gz HSSRJHOARBSTPA-IEBWSBKVSA-N 0 3 316.445 3.013 20 30 DGEDHN CC(C)(C#N)CCCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000174813883 527462586 /nfs/dbraw/zinc/46/25/86/527462586.db2.gz ZNHTYCJUNHNTOB-UHFFFAOYSA-N 0 3 313.445 3.211 20 30 DGEDHN CC(C)(C#N)CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000174820940 527463161 /nfs/dbraw/zinc/46/31/61/527463161.db2.gz GZRYIQWIOHXRMZ-UHFFFAOYSA-N 0 3 310.445 3.400 20 30 DGEDHN CC(C)(C#N)CCN[C@H](CO)c1ccc(Br)cc1 ZINC000346950122 527468881 /nfs/dbraw/zinc/46/88/81/527468881.db2.gz BPGNTHACONBPGB-CYBMUJFWSA-N 0 3 311.223 3.012 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000131068146 527476776 /nfs/dbraw/zinc/47/67/76/527476776.db2.gz XDYIHAYLZQRQCW-ROUUACIJSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1 ZINC000417909153 527477392 /nfs/dbraw/zinc/47/73/92/527477392.db2.gz HXWOKQFHFNMYFY-UXLLHSPISA-N 0 3 301.434 3.086 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000435101000 527479632 /nfs/dbraw/zinc/47/96/32/527479632.db2.gz MCTCPCATZMXZCA-NXHRZFHOSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](NC[C@@H](C(C)C)N1CCOCC1)c1ccco1 ZINC000353453624 527483696 /nfs/dbraw/zinc/48/36/96/527483696.db2.gz FPCTVMVMLPPNFL-IRXDYDNUSA-N 0 3 306.450 3.233 20 30 DGEDHN C=CCC[C@H](NCCCN1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456736 527484252 /nfs/dbraw/zinc/48/42/52/527484252.db2.gz WTJUXVNAKYOFSN-ULQDDVLXSA-N 0 3 306.450 3.376 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(c2nc3ccccc3o2)CC1 ZINC000305078891 527489751 /nfs/dbraw/zinc/48/97/51/527489751.db2.gz LWVIIDLQQVAIIM-HNNXBMFYSA-N 0 3 300.402 3.334 20 30 DGEDHN C=CCN(C(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F)C1CC1 ZINC000345216488 527547150 /nfs/dbraw/zinc/54/71/50/527547150.db2.gz UOQVCMFGGRJCCN-STQMWFEESA-N 0 3 318.383 3.072 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441298699 527596649 /nfs/dbraw/zinc/59/66/49/527596649.db2.gz BOWIFSHTVIHFBJ-WBVHZDCISA-N 0 3 319.493 3.390 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CCc1ccccc1 ZINC000343594026 527624981 /nfs/dbraw/zinc/62/49/81/527624981.db2.gz WZJDYTZWAQVDAT-QGZVFWFLSA-N 0 3 300.446 3.140 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000337627846 527635747 /nfs/dbraw/zinc/63/57/47/527635747.db2.gz BGNGIJNUUSYNSZ-ROUUACIJSA-N 0 3 312.457 3.373 20 30 DGEDHN C=Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000340365529 527644150 /nfs/dbraw/zinc/64/41/50/527644150.db2.gz KZAYOKGZTMWJEA-HNNXBMFYSA-N 0 3 306.369 3.138 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)n(C)c1C)C(C)C ZINC000344774403 527647633 /nfs/dbraw/zinc/64/76/33/527647633.db2.gz MAAVWCWPCAGKEV-SFHVURJKSA-N 0 3 317.477 3.070 20 30 DGEDHN CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424114679 527683558 /nfs/dbraw/zinc/68/35/58/527683558.db2.gz RZHCVFPMEBMKTK-INIZCTEOSA-N 0 3 301.434 3.082 20 30 DGEDHN CC(C)CCN(CCC#N)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994859 527712498 /nfs/dbraw/zinc/71/24/98/527712498.db2.gz IZMYZTBDGSCIAM-UHFFFAOYSA-N 0 3 300.406 3.083 20 30 DGEDHN CC(C)[C@H]1CN(C)CCN1Cc1cccc(OCCCC#N)c1 ZINC000184737531 527851669 /nfs/dbraw/zinc/85/16/69/527851669.db2.gz LPHKAZZCVRCURN-LJQANCHMSA-N 0 3 315.461 3.141 20 30 DGEDHN CCN1C[C@H](C)N(Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000353812303 527971791 /nfs/dbraw/zinc/97/17/91/527971791.db2.gz XRZCTJARVPIUGX-SJORKVTESA-N 0 3 315.461 3.284 20 30 DGEDHN CC(C)Oc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000347774419 528103029 /nfs/dbraw/zinc/10/30/29/528103029.db2.gz BTQFBCVMSUPVMG-ZDUSSCGKSA-N 0 3 320.352 3.235 20 30 DGEDHN CCCN(Cc1ccccc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000356136440 528145619 /nfs/dbraw/zinc/14/56/19/528145619.db2.gz XRIWCYGWHQUFCW-QFBILLFUSA-N 0 3 315.461 3.342 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000428172825 528278720 /nfs/dbraw/zinc/27/87/20/528278720.db2.gz ANLBRRUFWAKSMF-CQSZACIVSA-N 0 3 317.414 3.026 20 30 DGEDHN CCCNC(=O)C1(NCc2ccc(CC#N)cc2)CCCCC1 ZINC000343422506 528333737 /nfs/dbraw/zinc/33/37/37/528333737.db2.gz OCTFWUIDWJBLIP-UHFFFAOYSA-N 0 3 313.445 3.071 20 30 DGEDHN CC(C)c1nn(C)cc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000331254476 528398555 /nfs/dbraw/zinc/39/85/55/528398555.db2.gz XBLCBFXNNYTVCI-UHFFFAOYSA-N 0 3 321.469 3.134 20 30 DGEDHN CCCCNC(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185778606 528551884 /nfs/dbraw/zinc/55/18/84/528551884.db2.gz ZQKSRWUNCSPDOD-AEFFLSMTSA-N 0 3 313.445 3.388 20 30 DGEDHN CCOc1ccc([C@@H](NC(=O)C(C)C#N)C(C)C)cc1OCC ZINC000357789610 528600364 /nfs/dbraw/zinc/60/03/64/528600364.db2.gz DKUDCWUXSFHZQP-DYVFJYSZSA-N 0 3 318.417 3.457 20 30 DGEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccc(OC)c(OC)c1 ZINC000359717183 528684882 /nfs/dbraw/zinc/68/48/82/528684882.db2.gz FGZZNJCZXJXWCI-ZDUSSCGKSA-N 0 3 318.417 3.037 20 30 DGEDHN CCOc1cccc2cc([C@@H](C)NCCOCCC#N)oc21 ZINC000339085715 528698496 /nfs/dbraw/zinc/69/84/96/528698496.db2.gz LBOGRLMITZBMML-CYBMUJFWSA-N 0 3 302.374 3.412 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000338052099 528703807 /nfs/dbraw/zinc/70/38/07/528703807.db2.gz JVEOHSAVIFLCGW-OAHLLOKOSA-N 0 3 313.445 3.293 20 30 DGEDHN CCN(c1ccc(C(=O)C(C#N)c2ccccn2)cn1)C(C)C ZINC000358001452 528932332 /nfs/dbraw/zinc/93/23/32/528932332.db2.gz RMKMNADVCAFOOD-HNNXBMFYSA-N 0 3 308.385 3.201 20 30 DGEDHN CC1(C)CCCN(CCNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000443966256 528937240 /nfs/dbraw/zinc/93/72/40/528937240.db2.gz SGIZGVPMPKMVPF-UHFFFAOYSA-N 0 3 302.378 3.000 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccnn2[C@H](C)CC(C)C)CC1 ZINC000330880485 528959648 /nfs/dbraw/zinc/95/96/48/528959648.db2.gz MWWOLFJYYCTDRY-CQSZACIVSA-N 0 3 321.469 3.300 20 30 DGEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000444681473 529205658 /nfs/dbraw/zinc/20/56/58/529205658.db2.gz ZYRSXCYPZHBTGB-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCCCC(C)(C)C#N ZINC000444649136 529285674 /nfs/dbraw/zinc/28/56/74/529285674.db2.gz LIONHOHNVMGXRR-IRXDYDNUSA-N 0 3 307.482 3.428 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)N(C)C ZINC000413421400 529286764 /nfs/dbraw/zinc/28/67/64/529286764.db2.gz WWYXUQSJYPJXAL-STQMWFEESA-N 0 3 314.216 3.014 20 30 DGEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000444670070 529288344 /nfs/dbraw/zinc/28/83/44/529288344.db2.gz DUKYJAZVMMZHQL-QZTJIDSGSA-N 0 3 313.445 3.075 20 30 DGEDHN CN(CCC(C)(C)C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000494708947 536314321 /nfs/dbraw/zinc/31/43/21/536314321.db2.gz DZEKCMOFJXPXLC-UHFFFAOYSA-N 0 3 311.470 3.409 20 30 DGEDHN C[C@@H](C1CC1)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000047909290 545685124 /nfs/dbraw/zinc/68/51/24/545685124.db2.gz UUTRGLWPWOMPBM-HNNXBMFYSA-N 0 3 311.429 3.196 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000096573807 545863150 /nfs/dbraw/zinc/86/31/50/545863150.db2.gz BBZUQGDKOCDEOS-LJQANCHMSA-N 0 3 311.425 3.287 20 30 DGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(N2CCOC2=O)cc1 ZINC000192743504 546237382 /nfs/dbraw/zinc/23/73/82/546237382.db2.gz WOZACINQMQQLHB-YCPHGPKFSA-N 0 3 313.401 3.376 20 30 DGEDHN O=C(CN1CCC[C@@H](C2CC2)C1)NC(=O)Nc1ccccc1 ZINC000329684190 546490476 /nfs/dbraw/zinc/49/04/76/546490476.db2.gz ZLPHPIMIJVEOSN-CQSZACIVSA-N 0 3 301.390 3.311 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2OC)cc1OC ZINC000362970378 546723924 /nfs/dbraw/zinc/72/39/24/546723924.db2.gz UFPPOVMEFKHHNL-HZPDHXFCSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(F)c2)C(C)(C)C)C1=O ZINC000499613205 546940578 /nfs/dbraw/zinc/94/05/78/546940578.db2.gz VVAUVQRVXPOION-HOTGVXAUSA-N 0 3 304.409 3.289 20 30 DGEDHN Cc1ccncc1[C@@H](C)NCC#CCN[C@H](C)c1cnccc1C ZINC000671243009 547779865 /nfs/dbraw/zinc/77/98/65/547779865.db2.gz FRQYRIIHDQVRRS-QZTJIDSGSA-N 0 3 322.456 3.098 20 30 DGEDHN C=CCOCCN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000671759969 547828361 /nfs/dbraw/zinc/82/83/61/547828361.db2.gz FFOILKZDRIRLCP-IBGZPJMESA-N 0 3 312.413 3.166 20 30 DGEDHN COCC#CCN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000672578031 547892017 /nfs/dbraw/zinc/89/20/17/547892017.db2.gz FLVKALAYPLADTK-UHFFFAOYSA-N 0 3 300.377 3.136 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000677048146 548443650 /nfs/dbraw/zinc/44/36/50/548443650.db2.gz NYOVFZDCPRFXJS-LJQANCHMSA-N 0 3 314.429 3.293 20 30 DGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000678785657 548762996 /nfs/dbraw/zinc/76/29/96/548762996.db2.gz OUMQVDIWKRYHAS-WOSRLPQWSA-N 0 3 300.402 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3c2cccc3Cl)CC1 ZINC000678837874 548776171 /nfs/dbraw/zinc/77/61/71/548776171.db2.gz NHDOSHSTPSAQOL-INIZCTEOSA-N 0 3 318.848 3.136 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000679174668 548842222 /nfs/dbraw/zinc/84/22/22/548842222.db2.gz CYCKKSIZWMVNQP-DOTOQJQBSA-N 0 3 308.429 3.453 20 30 DGEDHN C=CCOCCNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000679485751 548903497 /nfs/dbraw/zinc/90/34/97/548903497.db2.gz LREGJJKQVWRIFQ-UHFFFAOYSA-N 0 3 307.397 3.318 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000679937643 548967023 /nfs/dbraw/zinc/96/70/23/548967023.db2.gz GMJBLUGBIYUVFC-MOPGFXCFSA-N 0 3 302.462 3.130 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000680996521 549142485 /nfs/dbraw/zinc/14/24/85/549142485.db2.gz ZXFNKORDNUJHIK-HNAYVOBHSA-N 0 3 313.828 3.446 20 30 DGEDHN C=CCCC[C@@H](C)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000681033290 549149350 /nfs/dbraw/zinc/14/93/50/549149350.db2.gz YRHWOYTVSLZQAK-MRXNPFEDSA-N 0 3 302.466 3.467 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000682416634 549319313 /nfs/dbraw/zinc/31/93/13/549319313.db2.gz FHYXUQVEUXWARH-GOSISDBHSA-N 0 3 315.461 3.116 20 30 DGEDHN C=C(C)COc1cc(CN[C@]2(CC)CCOC2)ccc1OC ZINC000682952327 549402998 /nfs/dbraw/zinc/40/29/98/549402998.db2.gz UIARLPXFWOYWCA-GOSISDBHSA-N 0 3 305.418 3.309 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncccc1C(F)(F)F ZINC000684767198 549690222 /nfs/dbraw/zinc/69/02/22/549690222.db2.gz CWQANFXVSWWDBR-BXUZGUMPSA-N 0 3 300.324 3.171 20 30 DGEDHN C=C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000731032037 574542155 /nfs/dbraw/zinc/54/21/55/574542155.db2.gz BZRRTRAJTBCTRP-CYBMUJFWSA-N 0 3 311.410 3.125 20 30 DGEDHN Cc1nccc([C@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)n1 ZINC000731211954 574545530 /nfs/dbraw/zinc/54/55/30/574545530.db2.gz KHXIJASWGLKQRE-KRWDZBQOSA-N 0 3 322.412 3.067 20 30 DGEDHN C#CCOc1cccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000731011183 574541615 /nfs/dbraw/zinc/54/16/15/574541615.db2.gz KGYGZIDFALRHJX-GOSISDBHSA-N 0 3 314.429 3.148 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000733199883 574607152 /nfs/dbraw/zinc/60/71/52/574607152.db2.gz WNQFCKROFJSJAD-CYBMUJFWSA-N 0 3 313.426 3.204 20 30 DGEDHN C=CCN1CCC(NC(=S)N[C@H](CC)c2cccs2)CC1 ZINC000734377773 574658594 /nfs/dbraw/zinc/65/85/94/574658594.db2.gz LXRWFOVTBHKMJA-CQSZACIVSA-N 0 3 323.531 3.314 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3F)nc21 ZINC000735788617 574715000 /nfs/dbraw/zinc/71/50/00/574715000.db2.gz GECYOVBMVZTFEX-ZDUSSCGKSA-N 0 3 307.328 3.429 20 30 DGEDHN Cc1cccc(C)c1NC(=S)NN=C1CCN(C)[C@H](C)C1 ZINC000741452781 574958064 /nfs/dbraw/zinc/95/80/64/574958064.db2.gz FKXRYWWKFBABMQ-CYBMUJFWSA-N 0 3 304.463 3.060 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2cc(C)ccc2F)[C@@H](C)C1 ZINC000741459322 574958257 /nfs/dbraw/zinc/95/82/57/574958257.db2.gz AKORNXOENXGQJJ-LBPRGKRZSA-N 0 3 322.453 3.138 20 30 DGEDHN COc1ccc(CNC[C@H](c2ccsc2)N(C)C)cc1C#N ZINC000742366673 574992370 /nfs/dbraw/zinc/99/23/70/574992370.db2.gz OWHWSTJQXTWWFQ-MRXNPFEDSA-N 0 3 315.442 3.021 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](C)Oc1cccc(F)c1 ZINC000742381560 574994410 /nfs/dbraw/zinc/99/44/10/574994410.db2.gz ZTJMLLBEDLPVAE-HNNXBMFYSA-N 0 3 313.372 3.395 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1)[C@H](O)c1c(F)cccc1F ZINC000742716388 575014486 /nfs/dbraw/zinc/01/44/86/575014486.db2.gz YJZVWGLADSKLBX-AEFFLSMTSA-N 0 3 316.351 3.438 20 30 DGEDHN C=C(C)CNC(=S)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743036675 575032225 /nfs/dbraw/zinc/03/22/25/575032225.db2.gz OLBRUMGDJXDDPH-INIZCTEOSA-N 0 3 317.502 3.033 20 30 DGEDHN C#CCCN1CCC(NC(=O)CC/C=C/c2ccccc2)CC1 ZINC000743495426 575054542 /nfs/dbraw/zinc/05/45/42/575054542.db2.gz VWMIWPFJXUJTDH-YRNVUSSQSA-N 0 3 310.441 3.084 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000743490735 575054571 /nfs/dbraw/zinc/05/45/71/575054571.db2.gz WDMIBQJHBKMTJC-UHFFFAOYSA-N 0 3 324.424 3.267 20 30 DGEDHN CCN(CCOc1cccc(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC000743867041 575066974 /nfs/dbraw/zinc/06/69/74/575066974.db2.gz RIHLWHAUFUJROV-FQEVSTJZSA-N 0 3 324.424 3.301 20 30 DGEDHN N#CC(C(=O)CCC(F)(F)F)C(=O)Nc1ccccc1Cl ZINC000744027933 575069124 /nfs/dbraw/zinc/06/91/24/575069124.db2.gz FFYSMSORAVKRQJ-MRVPVSSYSA-N 0 3 318.682 3.330 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000744025385 575069150 /nfs/dbraw/zinc/06/91/50/575069150.db2.gz KKIOALBTRDQDTH-MFKMUULPSA-N 0 3 316.744 3.384 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000744025384 575069220 /nfs/dbraw/zinc/06/92/20/575069220.db2.gz KKIOALBTRDQDTH-GXFFZTMASA-N 0 3 316.744 3.384 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC3CCOCC3)nc21 ZINC000744160672 575075293 /nfs/dbraw/zinc/07/52/93/575075293.db2.gz OMEUGEDXGNYZDC-AWEZNQCLSA-N 0 3 311.385 3.254 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC3CCOCC3)[nH]c21 ZINC000744160672 575075295 /nfs/dbraw/zinc/07/52/95/575075295.db2.gz OMEUGEDXGNYZDC-AWEZNQCLSA-N 0 3 311.385 3.254 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000740900051 575231993 /nfs/dbraw/zinc/23/19/93/575231993.db2.gz KCDRIGPCZYWCBL-BBRMVZONSA-N 0 3 316.426 3.252 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@@H](C)c2cccs2)CC1 ZINC000729942789 575267717 /nfs/dbraw/zinc/26/77/17/575267717.db2.gz RYWKBYFPKMHPEQ-ZDUSSCGKSA-N 0 3 323.531 3.314 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@H]2CCCC[C@H]2C)CC1 ZINC000729942621 575267734 /nfs/dbraw/zinc/26/77/34/575267734.db2.gz PPWXYWPZDKHGBV-ZBFHGGJFSA-N 0 3 309.523 3.070 20 30 DGEDHN C#CCN(CCC(=O)N1CCC[C@@H]1C)[C@H]1CCc2ccccc21 ZINC000744387464 575339324 /nfs/dbraw/zinc/33/93/24/575339324.db2.gz AONKCXGVTQRYEM-LPHOPBHVSA-N 0 3 310.441 3.010 20 30 DGEDHN COc1ccc(CNC/C=C\c2ccccc2OC)cc1C#N ZINC000746741198 575472963 /nfs/dbraw/zinc/47/29/63/575472963.db2.gz KWHOHEJYIFVKSS-ALCCZGGFSA-N 0 3 308.381 3.378 20 30 DGEDHN C#CCCN1CCC(NC(=O)C2(c3cccc(C)c3)CCC2)CC1 ZINC000747405217 575516166 /nfs/dbraw/zinc/51/61/66/575516166.db2.gz XHKNLYFJYWLENA-UHFFFAOYSA-N 0 3 324.468 3.021 20 30 DGEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1CCCCCCC1 ZINC000748804772 575608009 /nfs/dbraw/zinc/60/80/09/575608009.db2.gz ADRZBQGFXOVFFE-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN COc1ccccc1C1(C(=O)C(C#N)c2nc(C)cs2)CC1 ZINC000749338941 575645979 /nfs/dbraw/zinc/64/59/79/575645979.db2.gz UXESZVMDSISOAM-LBPRGKRZSA-N 0 3 312.394 3.368 20 30 DGEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(OCC#N)cc1 ZINC000749460614 575658176 /nfs/dbraw/zinc/65/81/76/575658176.db2.gz OLPWIYZTSVDBKB-MGPUTAFESA-N 0 3 322.408 3.413 20 30 DGEDHN CC(=NN=C1CCCC[C@H]1N1CCCCCC1)c1cnccn1 ZINC000749813929 575680587 /nfs/dbraw/zinc/68/05/87/575680587.db2.gz HCZUSINAEXNSKS-GOSISDBHSA-N 0 3 313.449 3.460 20 30 DGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cnn(C)c1 ZINC000750679502 575745159 /nfs/dbraw/zinc/74/51/59/575745159.db2.gz ASTBNLXUPYBWIJ-ZYHUDNBSSA-N 0 3 310.382 3.010 20 30 DGEDHN COc1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)n1 ZINC000752159483 575825218 /nfs/dbraw/zinc/82/52/18/575825218.db2.gz HKOUGKWKGJTJTN-ZDUSSCGKSA-N 0 3 303.321 3.128 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000726461272 576025087 /nfs/dbraw/zinc/02/50/87/576025087.db2.gz YTHPYWHNQGKUGC-GJZGRUSLSA-N 0 3 315.486 3.075 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000726461274 576025361 /nfs/dbraw/zinc/02/53/61/576025361.db2.gz YTHPYWHNQGKUGC-LSDHHAIUSA-N 0 3 315.486 3.075 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)Cc2cnccn2)cc1Cl ZINC000727469571 576128229 /nfs/dbraw/zinc/12/82/29/576128229.db2.gz ZHOXDKQMRWRXLB-CYBMUJFWSA-N 0 3 317.820 3.416 20 30 DGEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000727954549 576156104 /nfs/dbraw/zinc/15/61/04/576156104.db2.gz RBOUJDYZFRVVNN-GUYCJALGSA-N 0 3 312.413 3.120 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(Br)c(F)c1 ZINC000852751785 620646329 /nfs/dbraw/zinc/64/63/29/620646329.db2.gz FCDXQLHCRDZIGX-UHFFFAOYSA-N 0 3 314.198 3.060 20 30 DGEDHN C#CCCN(CCOC)Cc1cccc(OCC(F)(F)F)c1 ZINC000852751927 620646362 /nfs/dbraw/zinc/64/63/62/620646362.db2.gz PGFTYIPAMQCAGI-UHFFFAOYSA-N 0 3 315.335 3.099 20 30 DGEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910107 620650096 /nfs/dbraw/zinc/65/00/96/620650096.db2.gz QLAUDKGMWUJJAL-NSHDSACASA-N 0 3 302.717 3.203 20 30 DGEDHN C#CCC1(NC(=O)NC2CCN(CC(=C)C)CC2)CCCCC1 ZINC000917097760 620656315 /nfs/dbraw/zinc/65/63/15/620656315.db2.gz IMRIUSKJRBDTTB-UHFFFAOYSA-N 0 3 317.477 3.052 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)C ZINC000918060584 620695738 /nfs/dbraw/zinc/69/57/38/620695738.db2.gz OOUFQCFBTLWFNB-HNNXBMFYSA-N 0 3 321.490 3.491 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](c2ccccc2C)CC1=O ZINC000853597789 620714409 /nfs/dbraw/zinc/71/44/09/620714409.db2.gz FOUMYVWGYHCWIO-KURKYZTESA-N 0 3 310.441 3.451 20 30 DGEDHN C=CC[C@H]1CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000890563005 617612527 /nfs/dbraw/zinc/61/25/27/617612527.db2.gz LVKHWUNYWTZJCR-WMZOPIPTSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891242392 617758446 /nfs/dbraw/zinc/75/84/46/617758446.db2.gz FYMKNUBPODGLIA-QAPCUYQASA-N 0 3 317.477 3.074 20 30 DGEDHN C#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000891313754 617772742 /nfs/dbraw/zinc/77/27/42/617772742.db2.gz XNLRJOZBJMYNMK-UONOGXRCSA-N 0 3 311.303 3.354 20 30 DGEDHN C=CCN1CCC(Nc2cc3c(nn2)-c2ccccc2OC3)CC1 ZINC000892396451 618055939 /nfs/dbraw/zinc/05/59/39/618055939.db2.gz IDRAHVRGCKQFEA-UHFFFAOYSA-N 0 3 322.412 3.098 20 30 DGEDHN N#CC(C(=O)CCF)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892495836 618081634 /nfs/dbraw/zinc/08/16/34/618081634.db2.gz GYCOHJZOTHVCMD-MRVPVSSYSA-N 0 3 303.120 3.000 20 30 DGEDHN C#CCN(CC)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000920096082 620782569 /nfs/dbraw/zinc/78/25/69/620782569.db2.gz WHPAFDGFGHOUNR-HXUWFJFHSA-N 0 3 323.436 3.109 20 30 DGEDHN C#CCN(CC)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000920095204 620782957 /nfs/dbraw/zinc/78/29/57/620782957.db2.gz LLNIQBGHYROBPC-LJQANCHMSA-N 0 3 309.409 3.048 20 30 DGEDHN CCc1[nH]c(CN[C@H]2CCc3cc(C#N)ccc32)cc1C(=O)OC ZINC000894589226 618395287 /nfs/dbraw/zinc/39/52/87/618395287.db2.gz LZCULYBOUDXGJY-SFHVURJKSA-N 0 3 323.396 3.012 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)NCCN(C)Cc1ccccc1 ZINC000893045701 618403392 /nfs/dbraw/zinc/40/33/92/618403392.db2.gz VDYLBKYFTIKSGG-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C#C[C@H](N[C@H]1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000894871133 618484356 /nfs/dbraw/zinc/48/43/56/618484356.db2.gz RRLGUPPBTZHQSB-CQDKDKBSSA-N 0 3 308.219 3.281 20 30 DGEDHN C[C@H](CC#N)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894984859 618507648 /nfs/dbraw/zinc/50/76/48/618507648.db2.gz MIOGJWKZOJJXEH-SNVBAGLBSA-N 0 3 313.323 3.255 20 30 DGEDHN C#CCNC(=O)CN[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000015056823 618526194 /nfs/dbraw/zinc/52/61/94/618526194.db2.gz XAWZTHOWXWVIMM-FQEVSTJZSA-N 0 3 320.436 3.090 20 30 DGEDHN CN(Cc1cccc2c1NCCC2)C[C@H](O)c1cccc(C#N)c1 ZINC000895133384 618547376 /nfs/dbraw/zinc/54/73/76/618547376.db2.gz ITIQADPJSNUFKZ-IBGZPJMESA-N 0 3 321.424 3.082 20 30 DGEDHN CC(C)CO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000920790101 620822579 /nfs/dbraw/zinc/82/25/79/620822579.db2.gz OKPAGBLCSHSPPK-SMDDNHRTSA-N 0 3 322.792 3.048 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000788857629 625281953 /nfs/dbraw/zinc/28/19/53/625281953.db2.gz WMHQUYZVNVCABP-RBSFLKMASA-N 0 3 309.454 3.256 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OCCC)c(OC)c2)CC1 ZINC000895836006 618839959 /nfs/dbraw/zinc/83/99/59/618839959.db2.gz UNCWCWAYQBFNPM-UHFFFAOYSA-N 0 3 319.445 3.387 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCCc2ccccc2)CC1 ZINC000896208563 618886526 /nfs/dbraw/zinc/88/65/26/618886526.db2.gz IPKLQDWSZMUACN-UHFFFAOYSA-N 0 3 300.446 3.166 20 30 DGEDHN CCc1noc([C@H]2CC[C@H](NCc3cccc(F)c3C#N)C2)n1 ZINC000897046425 619005764 /nfs/dbraw/zinc/00/57/64/619005764.db2.gz YYKBSVXWBVCBOG-AAEUAGOBSA-N 0 3 314.364 3.069 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000929127110 619158218 /nfs/dbraw/zinc/15/82/18/619158218.db2.gz ZYKXKBDWEVZYNV-CQSZACIVSA-N 0 3 324.346 3.271 20 30 DGEDHN N#Cc1ccc(C2CCN(Cc3cnn4c3CCC4)CC2)cc1 ZINC000897588674 619163510 /nfs/dbraw/zinc/16/35/10/619163510.db2.gz KHCNPRKLNDUJEF-UHFFFAOYSA-N 0 3 306.413 3.081 20 30 DGEDHN N#Cc1ccc(C2CCN(Cc3cnc4n3CCC4)CC2)cc1 ZINC000897589212 619163524 /nfs/dbraw/zinc/16/35/24/619163524.db2.gz UIGWHHONMLPVLU-UHFFFAOYSA-N 0 3 306.413 3.081 20 30 DGEDHN CCc1nn(C)cc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897589447 619163925 /nfs/dbraw/zinc/16/39/25/619163925.db2.gz YMLDEKCTVARBPK-UHFFFAOYSA-N 0 3 308.429 3.234 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)cc1 ZINC000897731037 619179999 /nfs/dbraw/zinc/17/99/99/619179999.db2.gz VYAIESMVCFIEKX-RHSMWYFYSA-N 0 3 310.397 3.120 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cnn(CCF)c2)c([O-])c1 ZINC000899230107 619320430 /nfs/dbraw/zinc/32/04/30/619320430.db2.gz DDMJPMGWANBVTR-UNOMPAQXSA-N 0 3 318.396 3.024 20 30 DGEDHN C[C@@H]1C[C@@H](NN=C2CCCCc3ccc(N)cc32)C[C@H](C)O1 ZINC000901302212 619483087 /nfs/dbraw/zinc/48/30/87/619483087.db2.gz JVEBKHLMLZJSAK-YWVIFJGQSA-N 0 3 301.434 3.245 20 30 DGEDHN C[C@@H](NCCCSc1nccs1)c1cc(C#N)ccn1 ZINC000902808595 619676212 /nfs/dbraw/zinc/67/62/12/619676212.db2.gz LKFDFWMHTIMAFS-LLVKDONJSA-N 0 3 304.444 3.243 20 30 DGEDHN COc1ccccc1O[C@@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902821308 619679300 /nfs/dbraw/zinc/67/93/00/619679300.db2.gz HQYBQTWYWJTAIC-KBPBESRZSA-N 0 3 311.385 3.080 20 30 DGEDHN CC[C@@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1cccc(C#N)c1 ZINC000902866445 619684085 /nfs/dbraw/zinc/68/40/85/619684085.db2.gz GLXDYBTUZYYAES-MSOLQXFVSA-N 0 3 313.445 3.246 20 30 DGEDHN C[C@@H](NCCOc1ccc(Cl)c(F)c1)c1cc(C#N)ccn1 ZINC000903008661 619704215 /nfs/dbraw/zinc/70/42/15/619704215.db2.gz RJOLKHZHODOMBQ-LLVKDONJSA-N 0 3 319.767 3.475 20 30 DGEDHN CC(C)[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)C(=O)OC(C)(C)C ZINC000903045860 619710469 /nfs/dbraw/zinc/71/04/69/619710469.db2.gz XDOYUQAMHZOVGR-DZGCQCFKSA-N 0 3 317.433 3.218 20 30 DGEDHN C=C[C@H](C)N[C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110364 619718327 /nfs/dbraw/zinc/71/83/27/619718327.db2.gz OPTBHDFCDCJYHL-VHSXEESVSA-N 0 3 307.337 3.205 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2nonc2c1 ZINC000903324065 619755831 /nfs/dbraw/zinc/75/58/31/619755831.db2.gz GNAWQZSFYITQSW-INIZCTEOSA-N 0 3 304.353 3.262 20 30 DGEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(C)c1OC(F)F ZINC000905079965 619968071 /nfs/dbraw/zinc/96/80/71/619968071.db2.gz HZXRIDHEGYTLLZ-HAAVITCDSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C/c2ccccc2OCC(F)(F)F)C(=O)c2ncnn21 ZINC000905081598 619968255 /nfs/dbraw/zinc/96/82/55/619968255.db2.gz RZFAIAOGNWTQPH-ISAHRAOESA-N 0 3 323.274 3.060 20 30 DGEDHN CCN(CC)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1F ZINC000905082777 619968284 /nfs/dbraw/zinc/96/82/84/619968284.db2.gz XBDDMOBARFYKCM-JYVXZMADSA-N 0 3 314.364 3.104 20 30 DGEDHN CC1/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)c2ncnn21 ZINC000905081627 619968300 /nfs/dbraw/zinc/96/83/00/619968300.db2.gz SDZPTFMRVUSJSR-RERGGYADSA-N 0 3 308.385 3.109 20 30 DGEDHN Cc1ccc(OC(F)F)c(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905081146 619968354 /nfs/dbraw/zinc/96/83/54/619968354.db2.gz PGNZRYRTZMPVJY-CAXXOGMASA-N 0 3 305.284 3.029 20 30 DGEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(C(F)(F)F)c1 ZINC000905086681 619968960 /nfs/dbraw/zinc/96/89/60/619968960.db2.gz SMFFCILDAGLSBK-HRRMIQFSSA-N 0 3 323.274 3.146 20 30 DGEDHN C=C(CNC[C@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000905260456 619982685 /nfs/dbraw/zinc/98/26/85/619982685.db2.gz BFFWQHZCZIMZKR-LBPRGKRZSA-N 0 3 309.278 3.238 20 30 DGEDHN CC1(C)CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)[C@@H]1C#N ZINC000907763949 620172285 /nfs/dbraw/zinc/17/22/85/620172285.db2.gz VPGDHFDRZNNEDQ-MRXNPFEDSA-N 0 3 324.428 3.445 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000912065476 620361331 /nfs/dbraw/zinc/36/13/31/620361331.db2.gz OMGHOZGDBXFNKA-IRXDYDNUSA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000912164181 620370979 /nfs/dbraw/zinc/37/09/79/620370979.db2.gz WBZVWRUBDNRXGG-INIZCTEOSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000912174072 620372107 /nfs/dbraw/zinc/37/21/07/620372107.db2.gz RKBZPFMZCAATOW-SFHVURJKSA-N 0 3 312.413 3.148 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Br)ccc1C ZINC000912245556 620375887 /nfs/dbraw/zinc/37/58/87/620375887.db2.gz YKCDGQYUANRBJI-GFCCVEGCSA-N 0 3 311.223 3.380 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000912389348 620383958 /nfs/dbraw/zinc/38/39/58/620383958.db2.gz WNBKGLCZJCARDK-YOEHRIQHSA-N 0 3 304.434 3.335 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCCCC#N ZINC000913097826 620424090 /nfs/dbraw/zinc/42/40/90/620424090.db2.gz SGVRNBYAMAOQPE-SJLPKXTDSA-N 0 3 313.445 3.097 20 30 DGEDHN C#C[C@H]1CC[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000913816091 620482179 /nfs/dbraw/zinc/48/21/79/620482179.db2.gz ZCAUKPKAWLICPL-CZIWCDLHSA-N 0 3 309.413 3.213 20 30 DGEDHN C#CCSCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000152925392 620529336 /nfs/dbraw/zinc/52/93/36/620529336.db2.gz FDUFAQRNBGXVFZ-UHFFFAOYSA-N 0 3 316.382 3.311 20 30 DGEDHN CN(C)c1ccc(/C=C/C=NN[C@@H]2CCOC(C)(C)C2)cc1 ZINC000834971185 620546339 /nfs/dbraw/zinc/54/63/39/620546339.db2.gz BCLDQZNFLOYLRU-OCHOXDOASA-N 0 3 301.434 3.299 20 30 DGEDHN CCOc1ccc(/C=N\[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000920945460 620829604 /nfs/dbraw/zinc/82/96/04/620829604.db2.gz ZRRKXJVNDLAHKU-PKIWBCANSA-N 0 3 324.424 3.484 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCC(O)(CC)CC ZINC000788078103 620906769 /nfs/dbraw/zinc/90/67/69/620906769.db2.gz QGHVKODBYQIQOC-UHFFFAOYSA-N 0 3 309.837 3.383 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1csc(C#N)c1 ZINC000921711520 620939461 /nfs/dbraw/zinc/93/94/61/620939461.db2.gz DUHDAABXJBYMFY-CYBMUJFWSA-N 0 3 321.446 3.109 20 30 DGEDHN CC(C)[C@@H](CNCc1csc(C#N)c1)NC(=O)OC(C)(C)C ZINC000921747606 620943775 /nfs/dbraw/zinc/94/37/75/620943775.db2.gz XEABGXZOFNGZNJ-CQSZACIVSA-N 0 3 323.462 3.259 20 30 DGEDHN N#Cc1cc(CN[C@H]2CCN(c3c(F)cccc3F)C2)cs1 ZINC000921831174 620956930 /nfs/dbraw/zinc/95/69/30/620956930.db2.gz QCLJTZMUUFVSGJ-LBPRGKRZSA-N 0 3 319.380 3.266 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CNCc2cnc3ccccn23)c1 ZINC000113960974 620969171 /nfs/dbraw/zinc/96/91/71/620969171.db2.gz HAPSXVRMUMXHDX-QGZVFWFLSA-N 0 3 320.396 3.305 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cnc3ccccn23)c1 ZINC000113960971 620969264 /nfs/dbraw/zinc/96/92/64/620969264.db2.gz HAPSXVRMUMXHDX-KRWDZBQOSA-N 0 3 320.396 3.305 20 30 DGEDHN COc1ccc([C@H](CN(C)C)NCc2csc(C#N)c2)cc1 ZINC000922113074 620990165 /nfs/dbraw/zinc/99/01/65/620990165.db2.gz HPJRAGMYDFVBQG-KRWDZBQOSA-N 0 3 315.442 3.021 20 30 DGEDHN C#CCN(C(=O)N[C@H](C)CC1CCCCC1)C1CCN(C)CC1 ZINC000922234055 621010876 /nfs/dbraw/zinc/01/08/76/621010876.db2.gz QZMNAASHQCCQRN-MRXNPFEDSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCCN1CCN(CCCCc2cccc(Cl)c2)CC1 ZINC000856730475 621012743 /nfs/dbraw/zinc/01/27/43/621012743.db2.gz BUNUJMHQIHJAIO-UHFFFAOYSA-N 0 3 304.865 3.304 20 30 DGEDHN CC(C)[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cnn(C)c1 ZINC000922893775 621121573 /nfs/dbraw/zinc/12/15/73/621121573.db2.gz IOTSGVBTRGVOEK-KDOFPFPSSA-N 0 3 312.417 3.198 20 30 DGEDHN C#CCC1(NCc2csc(-c3ccn(C)n3)n2)CCCCC1 ZINC000922981856 621143514 /nfs/dbraw/zinc/14/35/14/621143514.db2.gz SHKBWSAOPJGQPR-UHFFFAOYSA-N 0 3 314.458 3.359 20 30 DGEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000116593371 621255535 /nfs/dbraw/zinc/25/55/35/621255535.db2.gz IVNMOYNWKSDEEI-YOEHRIQHSA-N 0 3 312.413 3.256 20 30 DGEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000116593531 621255595 /nfs/dbraw/zinc/25/55/95/621255595.db2.gz IJBBPAGBMYNDAR-GDBMZVCRSA-N 0 3 321.380 3.231 20 30 DGEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000116593529 621255661 /nfs/dbraw/zinc/25/56/61/621255661.db2.gz IJBBPAGBMYNDAR-GOEBONIOSA-N 0 3 321.380 3.231 20 30 DGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1nc2ccccc2s1 ZINC000859248990 621264536 /nfs/dbraw/zinc/26/45/36/621264536.db2.gz OSRWJRZTSMBAHO-VXGBXAGGSA-N 0 3 301.415 3.002 20 30 DGEDHN C=CCCCCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000838593020 621266256 /nfs/dbraw/zinc/26/62/56/621266256.db2.gz ZMFVMWGXCXCFGP-MRXNPFEDSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000859445884 621278680 /nfs/dbraw/zinc/27/86/80/621278680.db2.gz VHHFYISUDLJDSX-MRXNPFEDSA-N 0 3 313.445 3.123 20 30 DGEDHN CC(C)CCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000838786945 621280504 /nfs/dbraw/zinc/28/05/04/621280504.db2.gz LJGNEIZZOPMXJD-MRXNPFEDSA-N 0 3 300.402 3.228 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000838787301 621280613 /nfs/dbraw/zinc/28/06/13/621280613.db2.gz IHBOEPWQHFBVBU-GWCFXTLKSA-N 0 3 324.327 3.024 20 30 DGEDHN CCC(C)(C)OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000838789094 621280937 /nfs/dbraw/zinc/28/09/37/621280937.db2.gz XZFXGDTZHUDESG-LLVKDONJSA-N 0 3 322.792 3.193 20 30 DGEDHN C=CCCCCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000859749372 621317847 /nfs/dbraw/zinc/31/78/47/621317847.db2.gz FFVDPUXWKBEMRW-UHFFFAOYSA-N 0 3 317.433 3.427 20 30 DGEDHN C[C@H]1CC(N=Nc2ccc(Br)cc2)CN1C1CC1 ZINC000753955699 621474060 /nfs/dbraw/zinc/47/40/60/621474060.db2.gz PUNBJECGWSQKSR-JTQLQIEISA-N 0 3 308.223 3.474 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000754665085 621522845 /nfs/dbraw/zinc/52/28/45/621522845.db2.gz UZZPWNCZRBPCMU-HEHGZKQESA-N 0 3 307.463 3.150 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1csc2ccccc21 ZINC000754740648 621529540 /nfs/dbraw/zinc/52/95/40/621529540.db2.gz SFPUDDHASADBEV-ZDUSSCGKSA-N 0 3 315.442 3.314 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000861838502 621540317 /nfs/dbraw/zinc/54/03/17/621540317.db2.gz GBDNYOLVQIMFAE-UHFFFAOYSA-N 0 3 320.392 3.271 20 30 DGEDHN C[C@@H](CCN1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000862421698 621588175 /nfs/dbraw/zinc/58/81/75/621588175.db2.gz DOLWQCQBJYRRBD-KRWDZBQOSA-N 0 3 320.440 3.269 20 30 DGEDHN C[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CC[N@@H+]1C ZINC000863128171 621641289 /nfs/dbraw/zinc/64/12/89/621641289.db2.gz HHZZYMMSYXJQCU-SNVBAGLBSA-N 0 3 301.419 3.174 20 30 DGEDHN C[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CC[N@H+]1C ZINC000863128171 621641292 /nfs/dbraw/zinc/64/12/92/621641292.db2.gz HHZZYMMSYXJQCU-SNVBAGLBSA-N 0 3 301.419 3.174 20 30 DGEDHN C[N@@H+]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863128450 621641303 /nfs/dbraw/zinc/64/13/03/621641303.db2.gz OAYBSGOEMQAHGW-UHFFFAOYSA-N 0 3 301.419 3.176 20 30 DGEDHN C[N@H+]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863128450 621641304 /nfs/dbraw/zinc/64/13/04/621641304.db2.gz OAYBSGOEMQAHGW-UHFFFAOYSA-N 0 3 301.419 3.176 20 30 DGEDHN CN(C)CCSCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000756921035 621672908 /nfs/dbraw/zinc/67/29/08/621672908.db2.gz XXHKCYHSWCUWQW-ATVHPVEESA-N 0 3 318.486 3.162 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680671 621711389 /nfs/dbraw/zinc/71/13/89/621711389.db2.gz VGOZJMOAXIXTFD-WMLDXEAASA-N 0 3 307.438 3.154 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(OCC(F)(F)F)nc1 ZINC000864088276 621735642 /nfs/dbraw/zinc/73/56/42/621735642.db2.gz ZYHGRJAUPNQJNK-NSHDSACASA-N 0 3 315.339 3.441 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ccnn2C)c([O-])c1 ZINC000864348045 621759348 /nfs/dbraw/zinc/75/93/48/621759348.db2.gz DCKRQQJBBKRRIX-FDIDITGRSA-N 0 3 300.406 3.152 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)c1coc(C#N)c1)c1ccsc1 ZINC000864866472 621823834 /nfs/dbraw/zinc/82/38/34/621823834.db2.gz VPEHHLHYSJCRBA-HNNXBMFYSA-N 0 3 317.414 3.026 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)c2coc(C#N)c2)N2CCCC2)cc1 ZINC000865054568 621853160 /nfs/dbraw/zinc/85/31/60/621853160.db2.gz VMKGHOSXDDUPDC-SFHVURJKSA-N 0 3 323.396 3.027 20 30 DGEDHN C=CCN1CCC(NC(=O)CC(C)(C)c2ccc(F)cc2)CC1 ZINC000865192518 621872546 /nfs/dbraw/zinc/87/25/46/621872546.db2.gz ADOMLIFTXBPHDE-UHFFFAOYSA-N 0 3 318.436 3.260 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)C[C@H]2CCOC2)c([O-])c1 ZINC000759644011 621878509 /nfs/dbraw/zinc/87/85/09/621878509.db2.gz QBGHMBNEUQMDBE-QCSDQTOZSA-N 0 3 304.434 3.472 20 30 DGEDHN CO[C@@H](CNCc1cc(C#N)ccc1N(C)C)c1ccccc1 ZINC000865425839 621918161 /nfs/dbraw/zinc/91/81/61/621918161.db2.gz YAHAOGBHUIJMIJ-IBGZPJMESA-N 0 3 309.413 3.102 20 30 DGEDHN N#CC(C(=O)c1cccc2c3c([nH]c21)CCCC3)c1ccncn1 ZINC000760346137 621933957 /nfs/dbraw/zinc/93/39/57/621933957.db2.gz OPMFFJVXOCIFSI-HNNXBMFYSA-N 0 3 316.364 3.327 20 30 DGEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)cnc1Cl ZINC000760680081 621958237 /nfs/dbraw/zinc/95/82/37/621958237.db2.gz NEPWOQQDFFEECS-UHFFFAOYSA-N 0 3 301.777 3.084 20 30 DGEDHN CC[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1nccn1C ZINC000866449013 622120405 /nfs/dbraw/zinc/12/04/05/622120405.db2.gz PIWITJYUDHOVPI-QGZVFWFLSA-N 0 3 323.444 3.001 20 30 DGEDHN C=CCC[C@H](NC[C@@H]1CC2(CO1)CCOCC2)c1ccco1 ZINC000866533155 622133556 /nfs/dbraw/zinc/13/35/56/622133556.db2.gz OOGIWDPJVCRWTC-HOTGVXAUSA-N 0 3 305.418 3.462 20 30 DGEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nc2ccccc2n1C ZINC000866618227 622148532 /nfs/dbraw/zinc/14/85/32/622148532.db2.gz XFUOSCNCHFXCPU-DYVFJYSZSA-N 0 3 316.408 3.263 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccsc1 ZINC000121607669 622166617 /nfs/dbraw/zinc/16/66/17/622166617.db2.gz RJRGPOAOZNQZSR-JSGCOSHPSA-N 0 3 306.431 3.257 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)cc1 ZINC000121783598 622181508 /nfs/dbraw/zinc/18/15/08/622181508.db2.gz LIXOZXRYCNBNTR-CQSZACIVSA-N 0 3 302.374 3.169 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000765242422 622253353 /nfs/dbraw/zinc/25/33/53/622253353.db2.gz MLNPMQNSTBCZFQ-IEBWSBKVSA-N 0 3 312.457 3.207 20 30 DGEDHN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000805308141 622276084 /nfs/dbraw/zinc/27/60/84/622276084.db2.gz ADEGYJAVMLIVFZ-XJKSGUPXSA-N 0 3 321.852 3.044 20 30 DGEDHN CCN1C[C@@H](C)N(Cc2cc(Cl)ccc2OCC#N)C[C@@H]1C ZINC000766254951 622315771 /nfs/dbraw/zinc/31/57/71/622315771.db2.gz VFBRMTLEULBAJS-UONOGXRCSA-N 0 3 321.852 3.157 20 30 DGEDHN C#CCN1CCC(C(=O)NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000767027863 622369980 /nfs/dbraw/zinc/36/99/80/622369980.db2.gz FEBDCVOXCLYCLL-IAGOWNOFSA-N 0 3 318.505 3.300 20 30 DGEDHN C#CCN1CCC(C(=O)NCC[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000767027865 622370180 /nfs/dbraw/zinc/37/01/80/622370180.db2.gz FEBDCVOXCLYCLL-SJORKVTESA-N 0 3 318.505 3.300 20 30 DGEDHN CCOC(C)(C)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000870158637 622437382 /nfs/dbraw/zinc/43/73/82/622437382.db2.gz MWNYJZSFALYJGP-SNVBAGLBSA-N 0 3 321.327 3.423 20 30 DGEDHN C=CCOc1ccccc1CN1CCC(C2(C)OCCO2)CC1 ZINC000769399392 622524823 /nfs/dbraw/zinc/52/48/23/622524823.db2.gz INIYZIQVXGLQFT-UHFFFAOYSA-N 0 3 317.429 3.226 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CC(C)(C)OCC2(C)C)cc1 ZINC000769446751 622528555 /nfs/dbraw/zinc/52/85/55/622528555.db2.gz UQYQTOUGFRDNHK-UHFFFAOYSA-N 0 3 315.461 3.426 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000770673114 622659774 /nfs/dbraw/zinc/65/97/74/622659774.db2.gz GCIQRQQGYWLILH-FQEVSTJZSA-N 0 3 320.392 3.220 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075507 622791480 /nfs/dbraw/zinc/79/14/80/622791480.db2.gz AZINFRLARNFZCS-NWDGAFQWSA-N 0 3 310.419 3.294 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCCSC)cc1 ZINC000124027733 622881755 /nfs/dbraw/zinc/88/17/55/622881755.db2.gz CKCSHJAIYSFROT-OAHLLOKOSA-N 0 3 318.442 3.430 20 30 DGEDHN N#Cc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1 ZINC000772688203 622928433 /nfs/dbraw/zinc/92/84/33/622928433.db2.gz BWUKGAFDMQWRHI-UHFFFAOYSA-N 0 3 324.380 3.220 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCCOC[C@@H]1C ZINC000772819885 622946008 /nfs/dbraw/zinc/94/60/08/622946008.db2.gz FLHMICULHUVUSF-AWEZNQCLSA-N 0 3 317.458 3.383 20 30 DGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@@H]4CSC[C@H]4C3)n2)cc1 ZINC000872723073 622960770 /nfs/dbraw/zinc/96/07/70/622960770.db2.gz XOXAVFOTLRJHII-IAGOWNOFSA-N 0 3 324.453 3.064 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@H](CO)c2sccc2C)cc1 ZINC000773046004 622972664 /nfs/dbraw/zinc/97/26/64/622972664.db2.gz KSSJEQYBZBSPDF-RHSMWYFYSA-N 0 3 315.438 3.453 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H](CO)c2sccc2C)cc1 ZINC000773046387 622972874 /nfs/dbraw/zinc/97/28/74/622972874.db2.gz KSSJEQYBZBSPDF-WMLDXEAASA-N 0 3 315.438 3.453 20 30 DGEDHN COc1ccc2c(c1)[C@H](NCc1ccc(OC)c(C#N)c1)CC2 ZINC000773072666 622977517 /nfs/dbraw/zinc/97/75/17/622977517.db2.gz AVCRQBSFVDTKTO-GOSISDBHSA-N 0 3 308.381 3.353 20 30 DGEDHN C#CC[C@@H](N[C@H](C)c1cccc(-n2cnnn2)c1)c1ccccc1 ZINC000773118450 622986405 /nfs/dbraw/zinc/98/64/05/622986405.db2.gz ZRNIMONSYKUBCI-DNVCBOLYSA-N 0 3 317.396 3.078 20 30 DGEDHN CC(C)(C)[C@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805914117 625609239 /nfs/dbraw/zinc/60/92/39/625609239.db2.gz BLVPOIDCYKHRLX-INIZCTEOSA-N 0 3 300.402 3.377 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000873332234 623113775 /nfs/dbraw/zinc/11/37/75/623113775.db2.gz KWVOVYVPIGOLGW-UHFFFAOYSA-N 0 3 317.433 3.283 20 30 DGEDHN CC[C@@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000775389526 623265012 /nfs/dbraw/zinc/26/50/12/623265012.db2.gz GRIZNUWFUPQJBW-HXUWFJFHSA-N 0 3 321.424 3.089 20 30 DGEDHN CC[C@](C)(NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000775387340 623265025 /nfs/dbraw/zinc/26/50/25/623265025.db2.gz LKEILCXIPNTNKO-IBGZPJMESA-N 0 3 307.397 3.412 20 30 DGEDHN N#Cc1ccc(OC(=O)[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000875466457 623453480 /nfs/dbraw/zinc/45/34/80/623453480.db2.gz NBHLTMSLZCTHOH-INIZCTEOSA-N 0 3 324.355 3.125 20 30 DGEDHN C[C@@H](NC[C@H](O)c1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000776744591 623459232 /nfs/dbraw/zinc/45/92/32/623459232.db2.gz AOORNHGQUPLIAG-HWPZZCPQSA-N 0 3 320.314 3.360 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2C(C)(F)F)CC1 ZINC000876400113 623600791 /nfs/dbraw/zinc/60/07/91/623600791.db2.gz PRTBJKTWEKQYKZ-UHFFFAOYSA-N 0 3 324.346 3.221 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCC[C@H]1OC ZINC000778178088 623621568 /nfs/dbraw/zinc/62/15/68/623621568.db2.gz IVIMFLFJDYLQFL-CZUORRHYSA-N 0 3 307.821 3.257 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Br)c(C)c1 ZINC000876547378 623639801 /nfs/dbraw/zinc/63/98/01/623639801.db2.gz QLASVJOUMVWHTP-NSHDSACASA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Cl)cc1Cl ZINC000876549553 623640392 /nfs/dbraw/zinc/64/03/92/623640392.db2.gz QXUQLBATOHPBAJ-NSHDSACASA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000876555626 623642732 /nfs/dbraw/zinc/64/27/32/623642732.db2.gz BXJRVKAALBNNSD-GFCCVEGCSA-N 0 3 321.635 3.422 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CC(=C)Cl ZINC000876560098 623644548 /nfs/dbraw/zinc/64/45/48/623644548.db2.gz FNBSQUYLPMWEOJ-NSHDSACASA-N 0 3 319.257 3.386 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000876607948 623658261 /nfs/dbraw/zinc/65/82/61/623658261.db2.gz VGLDHRKUDLRINX-AAEUAGOBSA-N 0 3 306.793 3.388 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000876612201 623659240 /nfs/dbraw/zinc/65/92/40/623659240.db2.gz FDLLMQULZNXFOD-SNVBAGLBSA-N 0 3 313.854 3.211 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000876611747 623659446 /nfs/dbraw/zinc/65/94/46/623659446.db2.gz QHXPDFJYHNWGEG-CVEARBPZSA-N 0 3 306.837 3.437 20 30 DGEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1cc(C#N)ccc1N(C)C ZINC000876618681 623661088 /nfs/dbraw/zinc/66/10/88/623661088.db2.gz CDUWSWGTKQRSAO-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000876616824 623661407 /nfs/dbraw/zinc/66/14/07/623661407.db2.gz BCKNFCFNFMOYGZ-CABZTGNLSA-N 0 3 320.742 3.353 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000876623301 623663108 /nfs/dbraw/zinc/66/31/08/623663108.db2.gz GJWRQDWLEARFEX-OAHLLOKOSA-N 0 3 308.809 3.022 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000876662806 623674424 /nfs/dbraw/zinc/67/44/24/623674424.db2.gz ZTAXKNSBRYNBCZ-KGLIPLIRSA-N 0 3 314.763 3.098 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000876666957 623675475 /nfs/dbraw/zinc/67/54/75/623675475.db2.gz ZLUMLTFNJHHOKY-CABCVRRESA-N 0 3 324.877 3.081 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000876673683 623677873 /nfs/dbraw/zinc/67/78/73/623677873.db2.gz PUWQCTSZFMOVFM-AEGPPILISA-N 0 3 324.877 3.162 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000876677320 623678498 /nfs/dbraw/zinc/67/84/98/623678498.db2.gz LTKJLEAWEAONDX-GFCCVEGCSA-N 0 3 312.772 3.023 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccc(CC)cc1 ZINC000876679775 623680448 /nfs/dbraw/zinc/68/04/48/623680448.db2.gz KGEMBPMWUWTYCX-OAHLLOKOSA-N 0 3 308.853 3.113 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000876697207 623684947 /nfs/dbraw/zinc/68/49/47/623684947.db2.gz ARVGDJRUOITWER-NSHDSACASA-N 0 3 305.765 3.114 20 30 DGEDHN C#CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCCC1 ZINC000778938834 623713192 /nfs/dbraw/zinc/71/31/92/623713192.db2.gz JTHYYYCDXWMAJY-UHFFFAOYSA-N 0 3 302.374 3.371 20 30 DGEDHN C=CCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779050707 623724787 /nfs/dbraw/zinc/72/47/87/623724787.db2.gz WKBAYJFFFZRJMA-NSHDSACASA-N 0 3 314.223 3.316 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000876888534 623737558 /nfs/dbraw/zinc/73/75/58/623737558.db2.gz DFNHOUCTNPLTGG-IAGOWNOFSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000876949139 623751813 /nfs/dbraw/zinc/75/18/13/623751813.db2.gz SOIOSKVICDPUPD-HOCLYGCPSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1c(C)cccc1C ZINC000876958747 623755141 /nfs/dbraw/zinc/75/51/41/623755141.db2.gz BZMDLUSSTOOZKU-LSDHHAIUSA-N 0 3 306.837 3.437 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1F)CC(C)C ZINC000876986994 623760506 /nfs/dbraw/zinc/76/05/06/623760506.db2.gz OSXAWMKLIGXVCW-OAHLLOKOSA-N 0 3 312.816 3.280 20 30 DGEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2c1 ZINC000126334747 623791661 /nfs/dbraw/zinc/79/16/61/623791661.db2.gz DHRZILHQUVBABD-ZDUSSCGKSA-N 0 3 319.320 3.097 20 30 DGEDHN CCOCCC1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877110371 623793189 /nfs/dbraw/zinc/79/31/89/623793189.db2.gz SCRUBVSWWAUPHR-UHFFFAOYSA-N 0 3 307.825 3.293 20 30 DGEDHN Cc1noc(C)c1[C@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877112431 623793212 /nfs/dbraw/zinc/79/32/12/623793212.db2.gz UBLWKZZANHHUBJ-SECBINFHSA-N 0 3 304.781 3.105 20 30 DGEDHN CC(C)C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877142430 623805014 /nfs/dbraw/zinc/80/50/14/623805014.db2.gz TVTMYOUYICUDMS-HUUCEWRRSA-N 0 3 307.825 3.290 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(Cc1ccccc1)C(C)C ZINC000877198581 623825721 /nfs/dbraw/zinc/82/57/21/623825721.db2.gz JYBBETMFNYPPMX-RDJZCZTQSA-N 0 3 308.853 3.230 20 30 DGEDHN CCC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000780240606 623890291 /nfs/dbraw/zinc/89/02/91/623890291.db2.gz FMNFFMGATNNSCP-HNNXBMFYSA-N 0 3 303.450 3.414 20 30 DGEDHN CC(=NN[C@@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000780257136 623897612 /nfs/dbraw/zinc/89/76/12/623897612.db2.gz GYSNQWYDXIYOFV-QGZVFWFLSA-N 0 3 301.434 3.170 20 30 DGEDHN CCCN(CCC)c1ccc(C=NN[C@H]2CCCOC2)cc1 ZINC000780260428 623898338 /nfs/dbraw/zinc/89/83/38/623898338.db2.gz FOQUPGQQHWKWFS-KRWDZBQOSA-N 0 3 303.450 3.416 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCC2(C#N)CCC2)C12CCC2 ZINC000877594448 623955931 /nfs/dbraw/zinc/95/59/31/623955931.db2.gz URDIGLNEYHKTJV-UONOGXRCSA-N 0 3 319.449 3.106 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672655 623986708 /nfs/dbraw/zinc/98/67/08/623986708.db2.gz JTAHPFZJKKJFIK-FPOVZHCZSA-N 0 3 321.420 3.397 20 30 DGEDHN COC(=O)c1csc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000877704653 623998671 /nfs/dbraw/zinc/99/86/71/623998671.db2.gz LFLAJHBDCPDELX-UHFFFAOYSA-N 0 3 314.410 3.081 20 30 DGEDHN COc1cccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000781421172 624068831 /nfs/dbraw/zinc/06/88/31/624068831.db2.gz FJSRFMKRVOVTCU-XIKOKIGWSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@@H]1CCCN(CC2(CC#N)CC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000878163067 624194988 /nfs/dbraw/zinc/19/49/88/624194988.db2.gz TZZNSUXVGGOJJQ-CABCVRRESA-N 0 3 321.465 3.305 20 30 DGEDHN CC1(C)CCC[C@H]1NN=Cc1ccc(N2CCOCC2)cc1 ZINC000782286346 624232635 /nfs/dbraw/zinc/23/26/35/624232635.db2.gz GNCCICBIFGRXQY-QGZVFWFLSA-N 0 3 301.434 3.025 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC3(CC#N)CC3)CC[C@H]21 ZINC000878644463 624329368 /nfs/dbraw/zinc/32/93/68/624329368.db2.gz WHDJIWMDVKKRJL-HUUCEWRRSA-N 0 3 319.449 3.012 20 30 DGEDHN CC(C)[C@H](COCc1ccccc1)NCc1ccc(C#N)cn1 ZINC000783292813 624335440 /nfs/dbraw/zinc/33/54/40/624335440.db2.gz BTIOAXXUYHVLEB-IBGZPJMESA-N 0 3 309.413 3.284 20 30 DGEDHN C#CC[C@@H](NCc1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000783581653 624370064 /nfs/dbraw/zinc/37/00/64/624370064.db2.gz DISSXSBRKBQJKE-LJQANCHMSA-N 0 3 323.392 3.093 20 30 DGEDHN CCC(=NNCCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000783865794 624402370 /nfs/dbraw/zinc/40/23/70/624402370.db2.gz IOJBICUWBNSWJW-UHFFFAOYSA-N 0 3 319.449 3.188 20 30 DGEDHN N#Cc1ccc(C2CCN(Cc3ccc4c(c3)COC4)CC2)nc1 ZINC000879024577 624410745 /nfs/dbraw/zinc/41/07/45/624410745.db2.gz ZBNYZCYTURZRRV-UHFFFAOYSA-N 0 3 319.408 3.363 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)c(F)c1 ZINC000879240245 624457465 /nfs/dbraw/zinc/45/74/65/624457465.db2.gz LFARHZIWKZWLQQ-OALUTQOASA-N 0 3 310.372 3.395 20 30 DGEDHN CC(=O)Nc1cccc2c1CN(CCc1ccc(C#N)cc1)CC2 ZINC000879238382 624457622 /nfs/dbraw/zinc/45/76/22/624457622.db2.gz RXWNZNVNMSXIJU-UHFFFAOYSA-N 0 3 319.408 3.117 20 30 DGEDHN CC1([C@@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)OCCO1 ZINC000784348483 624507328 /nfs/dbraw/zinc/50/73/28/624507328.db2.gz VVQVFVVTTPOVGP-OAHLLOKOSA-N 0 3 320.820 3.187 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)c(OC(F)F)c1 ZINC000879560920 624589781 /nfs/dbraw/zinc/58/97/81/624589781.db2.gz WWMUFJOWTDNGCV-KGLIPLIRSA-N 0 3 324.396 3.345 20 30 DGEDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1[O-] ZINC000879653899 624626064 /nfs/dbraw/zinc/62/60/64/624626064.db2.gz XJCLNRCZKHBZOD-NSHDSACASA-N 0 3 315.398 3.005 20 30 DGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2nc(C)cs2)C1 ZINC000880008212 624751434 /nfs/dbraw/zinc/75/14/34/624751434.db2.gz APXRCHBZUFUSOE-CQSZACIVSA-N 0 3 313.426 3.321 20 30 DGEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000786308625 624846940 /nfs/dbraw/zinc/84/69/40/624846940.db2.gz QQWTYJCPRXWHFG-OAHLLOKOSA-N 0 3 319.364 3.427 20 30 DGEDHN N#CC(C(=O)CCC1CCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786531802 624911707 /nfs/dbraw/zinc/91/17/07/624911707.db2.gz TZFIEQPAAXCLQS-HNNXBMFYSA-N 0 3 318.804 3.245 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CC(C)C)c1 ZINC000786550336 624918469 /nfs/dbraw/zinc/91/84/69/624918469.db2.gz VVEHWAMLBAXLQQ-GDBMZVCRSA-N 0 3 300.402 3.002 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)C)c1 ZINC000786550339 624918483 /nfs/dbraw/zinc/91/84/83/624918483.db2.gz VVEHWAMLBAXLQQ-HOCLYGCPSA-N 0 3 300.402 3.002 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CC(C)C)c1 ZINC000786550340 624918492 /nfs/dbraw/zinc/91/84/92/624918492.db2.gz VVEHWAMLBAXLQQ-ZBFHGGJFSA-N 0 3 300.402 3.002 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccccc2OCC(C)C)CC1 ZINC000880479537 624965384 /nfs/dbraw/zinc/96/53/84/624965384.db2.gz RARCSSILCIDKQI-UHFFFAOYSA-N 0 3 301.430 3.072 20 30 DGEDHN C#CCC1(O)CCN(c2ccnc3ccc(OC(C)C)cc32)CC1 ZINC000882968047 625879012 /nfs/dbraw/zinc/87/90/12/625879012.db2.gz BBAULNVGXFGUHU-UHFFFAOYSA-N 0 3 324.424 3.377 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(NC(N)=O)cc2)cc1 ZINC000130896522 625915396 /nfs/dbraw/zinc/91/53/96/625915396.db2.gz JNXMYRZBHYQECS-CQSZACIVSA-N 0 3 323.396 3.040 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000792276315 625932911 /nfs/dbraw/zinc/93/29/11/625932911.db2.gz JMUSNQLQEMISNJ-GOSISDBHSA-N 0 3 320.436 3.226 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2oc(=O)oc2c1 ZINC000883147321 625942751 /nfs/dbraw/zinc/94/27/51/625942751.db2.gz RHOZNSSTZQWWNM-MRXNPFEDSA-N 0 3 320.348 3.425 20 30 DGEDHN C=CCC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000883185773 625960572 /nfs/dbraw/zinc/96/05/72/625960572.db2.gz DPUPVROXJHDXGS-DOTOQJQBSA-N 0 3 320.389 3.207 20 30 DGEDHN C=CCCC[C@@H](NCc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000883195857 625966405 /nfs/dbraw/zinc/96/64/05/625966405.db2.gz DRVAWWMDMCZVCB-QGZVFWFLSA-N 0 3 309.413 3.368 20 30 DGEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccc(Br)cc1F ZINC000796690951 626073491 /nfs/dbraw/zinc/07/34/91/626073491.db2.gz BQQGVFZVSAWXGO-ZJUUUORDSA-N 0 3 315.186 3.167 20 30 DGEDHN C=C(Br)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000796748532 626078411 /nfs/dbraw/zinc/07/84/11/626078411.db2.gz VWZRKQRZKNOPHH-UHFFFAOYSA-N 0 3 320.234 3.025 20 30 DGEDHN C#Cc1ccc(CN[C@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000798187282 626201051 /nfs/dbraw/zinc/20/10/51/626201051.db2.gz OJYPJCPYZFDUQL-SFHVURJKSA-N 0 3 322.383 3.092 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1C1CC1 ZINC000798817216 626247475 /nfs/dbraw/zinc/24/74/75/626247475.db2.gz VFTGQAUBRPQOOF-ZDUSSCGKSA-N 0 3 324.336 3.127 20 30 DGEDHN CC(C)[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)C ZINC000798826753 626248512 /nfs/dbraw/zinc/24/85/12/626248512.db2.gz AZJQBQBDWLHQHL-SMDDNHRTSA-N 0 3 319.405 3.198 20 30 DGEDHN CCOCC1(C(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000799601063 626311995 /nfs/dbraw/zinc/31/19/95/626311995.db2.gz VBKLNCRUXMSCBM-LLVKDONJSA-N 0 3 300.383 3.289 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103640674 626395094 /nfs/dbraw/zinc/39/50/94/626395094.db2.gz ZRYYEISWKYCURD-GOEBONIOSA-N 0 3 321.380 3.313 20 30 DGEDHN C[C@H](C#N)OCCN[C@H](COc1ccccc1)c1ccccc1 ZINC000801937755 626426860 /nfs/dbraw/zinc/42/68/60/626426860.db2.gz VRPDEWBXEDWVOL-VQIMIIECSA-N 0 3 310.397 3.325 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000801936280 626427041 /nfs/dbraw/zinc/42/70/41/626427041.db2.gz MGUQUVZGGRPGPM-HUUCEWRRSA-N 0 3 322.836 3.359 20 30 DGEDHN C=CCC[C@@H](NCc1nc2cc(F)ccc2n1C)[C@H]1CCCO1 ZINC000883204408 626607530 /nfs/dbraw/zinc/60/75/30/626607530.db2.gz ZUALGZHPUFLLHG-RHSMWYFYSA-N 0 3 317.408 3.316 20 30 DGEDHN C=CCC[C@@H](Cc1ccccc1)N[C@H](C)c1nnnn1C1CC1 ZINC000883219411 626612866 /nfs/dbraw/zinc/61/28/66/626612866.db2.gz SGGQAKIWQFKFMG-ZBFHGGJFSA-N 0 3 311.433 3.236 20 30 DGEDHN CC[C@@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(C#N)cc1 ZINC000883361730 626661674 /nfs/dbraw/zinc/66/16/74/626661674.db2.gz KAOJTRDQBMQUQL-NEPJUHHUSA-N 0 3 322.277 3.157 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000883391334 626671302 /nfs/dbraw/zinc/67/13/02/626671302.db2.gz IGEAHQCFJXVQAW-UONOGXRCSA-N 0 3 321.417 3.059 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000883401796 626673533 /nfs/dbraw/zinc/67/35/33/626673533.db2.gz YRIRCQJXELWGOC-AWEZNQCLSA-N 0 3 316.357 3.272 20 30 DGEDHN CCCCCCC[C@H](C)CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884099752 626834067 /nfs/dbraw/zinc/83/40/67/626834067.db2.gz YEYNWWNAKCQLIV-SDDULXJBSA-N 0 3 319.493 3.239 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1(C)CCCC1 ZINC000809003532 626875713 /nfs/dbraw/zinc/87/57/13/626875713.db2.gz RWRDBYOTNITWPB-INIZCTEOSA-N 0 3 312.413 3.324 20 30 DGEDHN C#Cc1ccc(CNc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000809596323 626923854 /nfs/dbraw/zinc/92/38/54/626923854.db2.gz CGUGEYUPDVNLPT-UHFFFAOYSA-N 0 3 319.452 3.027 20 30 DGEDHN C#Cc1ccc(CN[C@@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000809622524 626927655 /nfs/dbraw/zinc/92/76/55/626927655.db2.gz IZPNUNJXVALOOY-FQEVSTJZSA-N 0 3 315.420 3.475 20 30 DGEDHN C#Cc1ccc(CN[C@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000809622525 626927824 /nfs/dbraw/zinc/92/78/24/626927824.db2.gz IZPNUNJXVALOOY-HXUWFJFHSA-N 0 3 315.420 3.475 20 30 DGEDHN COC(=O)c1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000809733387 626942864 /nfs/dbraw/zinc/94/28/64/626942864.db2.gz VBFBBEVFLUAZCH-CQSZACIVSA-N 0 3 324.380 3.054 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)C(C)(C)C ZINC000809781584 626952512 /nfs/dbraw/zinc/95/25/12/626952512.db2.gz WVOYCXPSGLSINS-ZWKOTPCHSA-N 0 3 301.430 3.382 20 30 DGEDHN CC1(C)CN(CCCOc2ccc(C#N)cc2)[C@H]1[C@H]1CCCO1 ZINC000810023744 626969442 /nfs/dbraw/zinc/96/94/42/626969442.db2.gz IVIUEDWJMQZYOS-MSOLQXFVSA-N 0 3 314.429 3.217 20 30 DGEDHN C=CCCCCC[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810070729 626974214 /nfs/dbraw/zinc/97/42/14/626974214.db2.gz WISWKUQWRPAUCV-ZDUSSCGKSA-N 0 3 306.372 3.123 20 30 DGEDHN C=CCCCCC[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810070729 626974219 /nfs/dbraw/zinc/97/42/19/626974219.db2.gz WISWKUQWRPAUCV-ZDUSSCGKSA-N 0 3 306.372 3.123 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1(CCF)CC1 ZINC000810529820 627012184 /nfs/dbraw/zinc/01/21/84/627012184.db2.gz ONFIEPIJKUMVAA-LBPRGKRZSA-N 0 3 308.740 3.127 20 30 DGEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)s1 ZINC000810529326 627012252 /nfs/dbraw/zinc/01/22/52/627012252.db2.gz DMGOFLVUSBGRQR-HNNXBMFYSA-N 0 3 318.442 3.147 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCCSC1 ZINC000810531241 627012423 /nfs/dbraw/zinc/01/24/23/627012423.db2.gz KUTUMRBTFWZBMY-MNOVXSKESA-N 0 3 322.817 3.131 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810532957 627013006 /nfs/dbraw/zinc/01/30/06/627013006.db2.gz WYEVJFVFQQUUQY-HIFRSBDPSA-N 0 3 316.426 3.040 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@]12CCOC2 ZINC000885966783 627072063 /nfs/dbraw/zinc/07/20/63/627072063.db2.gz CZNZNYGXRKEAJX-RDJZCZTQSA-N 0 3 302.374 3.009 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@]12CCOC2 ZINC000885966784 627072276 /nfs/dbraw/zinc/07/22/76/627072276.db2.gz CZNZNYGXRKEAJX-WBVHZDCISA-N 0 3 302.374 3.009 20 30 DGEDHN C=C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000136879785 627104226 /nfs/dbraw/zinc/10/42/26/627104226.db2.gz UQSMBLLDTBQOJI-YOEHRIQHSA-N 0 3 310.397 3.114 20 30 DGEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000886302235 627133767 /nfs/dbraw/zinc/13/37/67/627133767.db2.gz IGRGNTAZQYJMEY-SFHVURJKSA-N 0 3 310.441 3.460 20 30 DGEDHN C#CCC1(NCc2ccc(OC(F)F)cc2F)CCOCC1 ZINC000886379280 627144767 /nfs/dbraw/zinc/14/47/67/627144767.db2.gz UWMDARCVXSBTOR-UHFFFAOYSA-N 0 3 313.319 3.089 20 30 DGEDHN C#CCN(C(=O)c1cc(C(C)(C)C)oc1C)C1CCN(C)CC1 ZINC000886572559 627166169 /nfs/dbraw/zinc/16/61/69/627166169.db2.gz QMXUIDQFMXDQEW-UHFFFAOYSA-N 0 3 316.445 3.055 20 30 DGEDHN C#CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811518039 627286009 /nfs/dbraw/zinc/28/60/09/627286009.db2.gz DVGDTXHVDJHURM-OALUTQOASA-N 0 3 311.425 3.232 20 30 DGEDHN C#C[C@H](NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)C(C)(C)C ZINC000812350599 627373730 /nfs/dbraw/zinc/37/37/30/627373730.db2.gz SRFPNSWFDQBUFX-FMKPAKJESA-N 0 3 319.449 3.056 20 30 DGEDHN CC(C)CO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213648 627467467 /nfs/dbraw/zinc/46/74/67/627467467.db2.gz KGYVURVYVGAWEC-JQWIXIFHSA-N 0 3 314.307 3.338 20 30 DGEDHN CC(C)CO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213650 627468322 /nfs/dbraw/zinc/46/83/22/627468322.db2.gz KGYVURVYVGAWEC-ZYHUDNBSSA-N 0 3 314.307 3.338 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217415 627468893 /nfs/dbraw/zinc/46/88/93/627468893.db2.gz FTAFAIKCQRYWPJ-FYDYADQUSA-N 0 3 324.302 3.259 20 30 DGEDHN CC(=NNc1cc(F)c(F)cc1F)c1cc([N+](=O)[O-])ccc1N ZINC000814849940 627598246 /nfs/dbraw/zinc/59/82/46/627598246.db2.gz QDDAAGRTLYEXLR-UHFFFAOYSA-N 0 3 324.262 3.430 20 30 DGEDHN C#CCNC(=O)CCN(CC=C(C)C)Cc1ccc(Cl)cc1 ZINC000815107922 627627675 /nfs/dbraw/zinc/62/76/75/627627675.db2.gz PESGOBFYFDQNSF-UHFFFAOYSA-N 0 3 318.848 3.248 20 30 DGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=CC1CCCCC1 ZINC000815915306 627712629 /nfs/dbraw/zinc/71/26/29/627712629.db2.gz KKODFHFUZAFCKS-PCRWRXJSSA-N 0 3 315.348 3.163 20 30 DGEDHN CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000925219094 627719846 /nfs/dbraw/zinc/71/98/46/627719846.db2.gz BOQONAMURTWDGF-VYDXJSESSA-N 0 3 301.434 3.177 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000925458759 627738640 /nfs/dbraw/zinc/73/86/40/627738640.db2.gz WGISDCGJQHFERK-IUODEOHRSA-N 0 3 319.836 3.363 20 30 DGEDHN CC(C)C[C@@H](N[C@H](C)CC(C)(C)C#N)C(=O)Nc1nccs1 ZINC000925679334 627775257 /nfs/dbraw/zinc/77/52/57/627775257.db2.gz BWSVSRVNAKQGOJ-CHWSQXEVSA-N 0 3 322.478 3.414 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000925778319 627793912 /nfs/dbraw/zinc/79/39/12/627793912.db2.gz TZZZGRXSGMJMJY-INIZCTEOSA-N 0 3 314.477 3.174 20 30 DGEDHN CCC#C[C@H](C)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817287028 627878263 /nfs/dbraw/zinc/87/82/63/627878263.db2.gz DMNXUFXGKQGELG-HNNXBMFYSA-N 0 3 306.450 3.264 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)CC(C)(C)C#N)cc1 ZINC000926385828 627887853 /nfs/dbraw/zinc/88/78/53/627887853.db2.gz XAEJLVBLPORJCG-KGLIPLIRSA-N 0 3 322.474 3.459 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCC1(O)CCC1 ZINC000817413841 627896010 /nfs/dbraw/zinc/89/60/10/627896010.db2.gz BGMOMZFDIGNVGL-UHFFFAOYSA-N 0 3 307.821 3.137 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NCc1c(F)cccc1-n1cccn1 ZINC000926543306 627911778 /nfs/dbraw/zinc/91/17/78/627911778.db2.gz KHUNUNFCFHXDOE-ZDUSSCGKSA-N 0 3 300.381 3.429 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000926879889 627968515 /nfs/dbraw/zinc/96/85/15/627968515.db2.gz MJBYZZRCFGTZFL-CABCVRRESA-N 0 3 321.465 3.353 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000818076965 627992588 /nfs/dbraw/zinc/99/25/88/627992588.db2.gz OPKWODAGKCJHOF-ZWKOTPCHSA-N 0 3 313.445 3.445 20 30 DGEDHN CCn1nc(C)c(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000818344704 628016508 /nfs/dbraw/zinc/01/65/08/628016508.db2.gz PZLGKQBZEGKUNW-UHFFFAOYSA-N 0 3 323.444 3.100 20 30 DGEDHN C[C@H](NC[C@@]1(c2ccccc2)CCCO1)c1cc(C#N)ccn1 ZINC000927122119 628021768 /nfs/dbraw/zinc/02/17/68/628021768.db2.gz ZLWHAGFGDZWUSA-HNAYVOBHSA-N 0 3 307.397 3.310 20 30 DGEDHN CC(C)Oc1ccccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818968047 628068950 /nfs/dbraw/zinc/06/89/50/628068950.db2.gz IZAXZWBORJMVNW-GOSISDBHSA-N 0 3 310.397 3.169 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929162875 628218753 /nfs/dbraw/zinc/21/87/53/628218753.db2.gz UPPYQNUSTLJSHT-GJZGRUSLSA-N 0 3 312.335 3.490 20 30 DGEDHN COC(=O)Cc1ccccc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000823618490 628580175 /nfs/dbraw/zinc/58/01/75/628580175.db2.gz RVIPVJUXRRASKV-OAHLLOKOSA-N 0 3 322.408 3.467 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823894357 628607949 /nfs/dbraw/zinc/60/79/49/628607949.db2.gz OBTOYAMDYFBMLO-NEPJUHHUSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823894357 628607951 /nfs/dbraw/zinc/60/79/51/628607951.db2.gz OBTOYAMDYFBMLO-NEPJUHHUSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823894625 628608106 /nfs/dbraw/zinc/60/81/06/628608106.db2.gz VEHMGFZRILKCQG-NWDGAFQWSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823894625 628608108 /nfs/dbraw/zinc/60/81/08/628608108.db2.gz VEHMGFZRILKCQG-NWDGAFQWSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC(C)(C)CCC#N ZINC000823914140 628609540 /nfs/dbraw/zinc/60/95/40/628609540.db2.gz BHTMRVNADVZZPT-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC(C)(C)CCC#N ZINC000823914140 628609542 /nfs/dbraw/zinc/60/95/42/628609542.db2.gz BHTMRVNADVZZPT-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC(C)(C)CCC#N ZINC000823914140 628609545 /nfs/dbraw/zinc/60/95/45/628609545.db2.gz BHTMRVNADVZZPT-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC(C)(C)CCC#N ZINC000823914140 628609549 /nfs/dbraw/zinc/60/95/49/628609549.db2.gz BHTMRVNADVZZPT-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CC=CCC1 ZINC000823914919 628609904 /nfs/dbraw/zinc/60/99/04/628609904.db2.gz OUTJYGOYKIUQEO-HNNXBMFYSA-N 0 3 309.417 3.211 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CC=CCC1 ZINC000823914919 628609907 /nfs/dbraw/zinc/60/99/07/628609907.db2.gz OUTJYGOYKIUQEO-HNNXBMFYSA-N 0 3 309.417 3.211 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CC=CCC1 ZINC000823914919 628609910 /nfs/dbraw/zinc/60/99/10/628609910.db2.gz OUTJYGOYKIUQEO-HNNXBMFYSA-N 0 3 309.417 3.211 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CC=CCC1 ZINC000823914919 628609912 /nfs/dbraw/zinc/60/99/12/628609912.db2.gz OUTJYGOYKIUQEO-HNNXBMFYSA-N 0 3 309.417 3.211 20 30 DGEDHN N#CCC1(CNCc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC000824326720 628651528 /nfs/dbraw/zinc/65/15/28/628651528.db2.gz HUALBLKYDMQQOV-UHFFFAOYSA-N 0 3 323.396 3.155 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000824925630 628707180 /nfs/dbraw/zinc/70/71/80/628707180.db2.gz AYRUNEQQJWUZIR-MRXNPFEDSA-N 0 3 320.392 3.279 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000824925629 628707439 /nfs/dbraw/zinc/70/74/39/628707439.db2.gz AYRUNEQQJWUZIR-INIZCTEOSA-N 0 3 320.392 3.279 20 30 DGEDHN C#C[C@@H](NCc1cscc1C(F)(F)F)C1CCOCC1 ZINC000827554515 628970006 /nfs/dbraw/zinc/97/00/06/628970006.db2.gz FWZQRNDIIAQDNF-CYBMUJFWSA-N 0 3 303.349 3.285 20 30 DGEDHN C#C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000827564529 628971240 /nfs/dbraw/zinc/97/12/40/628971240.db2.gz CNGUCFHYJNHYTP-HNNXBMFYSA-N 0 3 315.310 3.363 20 30 DGEDHN C#C[C@H](NCc1c(Cl)ccc2cccnc21)C1CCOCC1 ZINC000827566680 628971484 /nfs/dbraw/zinc/97/14/84/628971484.db2.gz YNBAJKXYXJWFCB-KRWDZBQOSA-N 0 3 314.816 3.406 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000829769202 629189953 /nfs/dbraw/zinc/18/99/53/629189953.db2.gz QEUVNUUADYQCCB-HUUCEWRRSA-N 0 3 318.848 3.253 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)OC1CCCC1 ZINC000830235870 629242351 /nfs/dbraw/zinc/24/23/51/629242351.db2.gz NXBNMEUJDJTCHI-UHFFFAOYSA-N 0 3 315.417 3.001 20 30 DGEDHN C#CC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000830311607 629251650 /nfs/dbraw/zinc/25/16/50/629251650.db2.gz RABCRXWMUQSOQI-IBGZPJMESA-N 0 3 310.441 3.085 20 30 DGEDHN C#CC1CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000830329645 629253733 /nfs/dbraw/zinc/25/37/33/629253733.db2.gz AJLUMSPHUPQDAA-UHFFFAOYSA-N 0 3 302.443 3.306 20 30 DGEDHN C=C(Br)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000831713688 629406630 /nfs/dbraw/zinc/40/66/30/629406630.db2.gz XHXYWMRPTQAQNR-OLZOCXBDSA-N 0 3 300.240 3.176 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc2ccccc2c1 ZINC000831830264 629416622 /nfs/dbraw/zinc/41/66/22/629416622.db2.gz SLLLFZZEABMTIA-MSOLQXFVSA-N 0 3 310.397 3.102 20 30 DGEDHN CCO[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000832571158 629496972 /nfs/dbraw/zinc/49/69/72/629496972.db2.gz YANAIXRLIUTIAQ-GDBMZVCRSA-N 0 3 308.809 3.290 20 30 DGEDHN C#CCN1CCC(C(=O)NCc2ccc(C(C)(C)C)s2)CC1 ZINC000834308888 629689221 /nfs/dbraw/zinc/68/92/21/629689221.db2.gz YRQCWFCVOUVTIZ-UHFFFAOYSA-N 0 3 318.486 3.007 20 30 DGEDHN C#Cc1cccc(CN[C@H](C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000834902127 629803760 /nfs/dbraw/zinc/80/37/60/629803760.db2.gz FIZKFZVKYRIUIV-OAHLLOKOSA-N 0 3 306.409 3.221 20 30 DGEDHN CCOC(=O)C(C)(C)ON=C/C=C/c1ccc(N(C)C)cc1 ZINC000835007106 629820731 /nfs/dbraw/zinc/82/07/31/629820731.db2.gz LVLGIVHPXUIQDC-TUSFOPKHSA-N 0 3 304.390 3.110 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)C)cc1 ZINC000835065230 629842948 /nfs/dbraw/zinc/84/29/48/629842948.db2.gz NSWFETQBMBAVDP-HNNXBMFYSA-N 0 3 302.374 3.169 20 30 DGEDHN CN(C)Cc1cccc(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)c1 ZINC000835443738 629933789 /nfs/dbraw/zinc/93/37/89/629933789.db2.gz GACVADOFXSSZEB-GASCZTMLSA-N 0 3 300.402 3.235 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cccc(Cl)c1Cl ZINC000836215478 630084215 /nfs/dbraw/zinc/08/42/15/630084215.db2.gz CYARPPVQBBWWNW-UHFFFAOYSA-N 0 3 314.216 3.070 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)C#CC(C)(C)C)c1ccsc1 ZINC000837343491 630244618 /nfs/dbraw/zinc/24/46/18/630244618.db2.gz NLCNXXMGFNCUOA-OAHLLOKOSA-N 0 3 306.475 3.297 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000837357957 630246868 /nfs/dbraw/zinc/24/68/68/630246868.db2.gz KWWDTWDSXIGYKT-APWZRJJASA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCNc1nc(C(=O)OC[C@@H]2CCCCN2C(C)C)cs1 ZINC000837373611 630249353 /nfs/dbraw/zinc/24/93/53/630249353.db2.gz QNERHSGCQAKZJW-ZDUSSCGKSA-N 0 3 323.462 3.161 20 30 DGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C#CC(C)(C)C ZINC000837371795 630249676 /nfs/dbraw/zinc/24/96/76/630249676.db2.gz FVMJKGLGTFQDCZ-UHFFFAOYSA-N 0 3 320.864 3.280 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C#CC(C)(C)C ZINC000837432452 630256986 /nfs/dbraw/zinc/25/69/86/630256986.db2.gz VRKFYCADXVCFEX-KRWDZBQOSA-N 0 3 312.457 3.159 20 30 DGEDHN CN(C)C[C@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)cc1 ZINC000837607682 630285016 /nfs/dbraw/zinc/28/50/16/630285016.db2.gz VELCIBZLVTUPMS-HNNXBMFYSA-N 0 3 306.837 3.108 20 30 DGEDHN CCC1(c2ccccc2)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000840770231 630357228 /nfs/dbraw/zinc/35/72/28/630357228.db2.gz MNDYIYFGUPITJA-LJQANCHMSA-N 0 3 306.409 3.255 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000840962416 630387310 /nfs/dbraw/zinc/38/73/10/630387310.db2.gz BJBPPKGZKBKHMK-MCIONIFRSA-N 0 3 307.821 3.255 20 30 DGEDHN c1ccc([C@@H]2CC(=NN[C@H]3CCSC3)CCN2C2CC2)cc1 ZINC000841638870 630450468 /nfs/dbraw/zinc/45/04/68/630450468.db2.gz ZLQHWPUBVYLCHP-WMZOPIPTSA-N 0 3 315.486 3.437 20 30 DGEDHN CSc1ccccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842159781 630500091 /nfs/dbraw/zinc/50/00/91/630500091.db2.gz UHEJYQMOYCNWOC-KRWDZBQOSA-N 0 3 312.438 3.446 20 30 DGEDHN Cc1ncsc1CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000842293036 630511982 /nfs/dbraw/zinc/51/19/82/630511982.db2.gz HKOMCENUDNSUBS-NSHDSACASA-N 0 3 311.366 3.402 20 30 DGEDHN C=CCSCCNCc1cccc(OC)c1OC(F)F ZINC000105462619 630712665 /nfs/dbraw/zinc/71/26/65/630712665.db2.gz MKPPMKMUTNSSBN-UHFFFAOYSA-N 0 3 303.374 3.305 20 30 DGEDHN CCc1cccc(OCCN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844368652 630721725 /nfs/dbraw/zinc/72/17/25/630721725.db2.gz SNLJKFBAXOAXRN-HXUWFJFHSA-N 0 3 324.424 3.165 20 30 DGEDHN CC[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)[C@@H](CC)CO1 ZINC000846028042 631207054 /nfs/dbraw/zinc/20/70/54/631207054.db2.gz VAHQEIKMOGZLFW-PKOBYXMFSA-N 0 3 315.461 3.426 20 30 DGEDHN N#CC1(COC(=O)CC2CC2)CCN(Cc2ccccc2)CC1 ZINC000847745473 631532108 /nfs/dbraw/zinc/53/21/08/631532108.db2.gz HUJWFRYIJAXJTN-UHFFFAOYSA-N 0 3 312.413 3.136 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000848396627 631653939 /nfs/dbraw/zinc/65/39/39/631653939.db2.gz OEYLQVWPTHQVSN-GFCCVEGCSA-N 0 3 313.373 3.351 20 30 DGEDHN COc1cc([N+](=O)[O-])ccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848403851 631654879 /nfs/dbraw/zinc/65/48/79/631654879.db2.gz DLVGVCXLPWHYLY-HNNXBMFYSA-N 0 3 318.377 3.020 20 30 DGEDHN Brc1cc(N=NC2CCCN3CCCC[C@@H]23)ccn1 ZINC000848408780 631655962 /nfs/dbraw/zinc/65/59/62/631655962.db2.gz ZTLDAVKPTJRGTG-ZDUSSCGKSA-N 0 3 323.238 3.260 20 30 DGEDHN C=CCCCCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000848431419 631660867 /nfs/dbraw/zinc/66/08/67/631660867.db2.gz JRLXWNLPUGQDHO-CQSZACIVSA-N 0 3 309.841 3.296 20 30 DGEDHN COC(=O)Cc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000848573342 631698931 /nfs/dbraw/zinc/69/89/31/631698931.db2.gz UKRIBBFZTHTIBX-LJQANCHMSA-N 0 3 320.392 3.051 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCO[C@H]2CC2(F)F)c([O-])c1 ZINC000849169537 631851466 /nfs/dbraw/zinc/85/14/66/631851466.db2.gz DQNBZTNHYMCEAK-VUQQOUJSSA-N 0 3 312.360 3.082 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000850386126 632134813 /nfs/dbraw/zinc/13/48/13/632134813.db2.gz GIYJKPSAWAEENX-YJYMSZOUSA-N 0 3 308.381 3.460 20 30 DGEDHN Cc1ccn([C@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000850783373 632223916 /nfs/dbraw/zinc/22/39/16/632223916.db2.gz ZPYGVYIFZFSCRP-OLZOCXBDSA-N 0 3 308.341 3.160 20 30 DGEDHN C#CCNC(=O)CN[C@H](c1ccc([C@H](C)CC)cc1)C(C)C ZINC000007719219 632294943 /nfs/dbraw/zinc/29/49/43/632294943.db2.gz RANXXRKVBFKMGF-BEFAXECRSA-N 0 3 300.446 3.236 20 30 DGEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000852101364 632554955 /nfs/dbraw/zinc/55/49/55/632554955.db2.gz DGQKTXNUSOWFFM-SJKOYZFVSA-N 0 3 324.827 3.218 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852319880 632586480 /nfs/dbraw/zinc/58/64/80/632586480.db2.gz SURZUXNFMWSOGX-WFASDCNBSA-N 0 3 312.335 3.364 20 30 DGEDHN C=CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H](C)COC ZINC000852356831 632594438 /nfs/dbraw/zinc/59/44/38/632594438.db2.gz PJVLNSPIOWRXPD-IAQYHMDHSA-N 0 3 301.789 3.035 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(C(C)(C)C)n2)[C@H](C)C1 ZINC000943550301 660191720 /nfs/dbraw/zinc/19/17/20/660191720.db2.gz XMIJPBGIOFFJNL-CHWSQXEVSA-N 0 3 321.490 3.067 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)(C)C)c2)[C@@H](C)C1 ZINC000943744338 660197964 /nfs/dbraw/zinc/19/79/64/660197964.db2.gz HIDHINRTQSQNFF-YJBOKZPZSA-N 0 3 312.457 3.058 20 30 DGEDHN C#CCCN1CC(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001032172557 660210459 /nfs/dbraw/zinc/21/04/59/660210459.db2.gz NMSSXDFOOZJBFX-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)[C@H](C)C1 ZINC000944047333 660208967 /nfs/dbraw/zinc/20/89/67/660208967.db2.gz PUXXLEITDSWXHU-BEFAXECRSA-N 0 3 322.408 3.020 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2OC(C)C)[C@@H](C)C1 ZINC000944242932 660216545 /nfs/dbraw/zinc/21/65/45/660216545.db2.gz YAWQWPNYFXTZEG-RDJZCZTQSA-N 0 3 316.445 3.100 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000944305940 660220108 /nfs/dbraw/zinc/22/01/08/660220108.db2.gz PJMZIXBOQBEDLM-QAPCUYQASA-N 0 3 312.457 3.058 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2C(C)C)[C@H](C)C1 ZINC000945090591 660240320 /nfs/dbraw/zinc/24/03/20/660240320.db2.gz LVONKEKOXSVABC-UKRRQHHQSA-N 0 3 306.475 3.498 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000945092293 660240617 /nfs/dbraw/zinc/24/06/17/660240617.db2.gz QESRGNJPWDALGF-GDBMZVCRSA-N 0 3 312.413 3.367 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000945222315 660244576 /nfs/dbraw/zinc/24/45/76/660244576.db2.gz NAJDAWQSULLDIP-DNVCBOLYSA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000945222851 660244720 /nfs/dbraw/zinc/24/47/20/660244720.db2.gz ODGXLQDTQWXIBZ-CHWSQXEVSA-N 0 3 321.490 3.067 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)oc3ccccc32)CC1 ZINC000997104117 660309501 /nfs/dbraw/zinc/30/95/01/660309501.db2.gz KIKJBLDEYLQWDG-CQSZACIVSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccccc2C(C)C)CC1 ZINC000997129239 660310646 /nfs/dbraw/zinc/31/06/46/660310646.db2.gz VIOQCXDFPJOWEQ-MRXNPFEDSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001032406987 660312490 /nfs/dbraw/zinc/31/24/90/660312490.db2.gz IOJRHNWWYLHSGE-MUGJNUQGSA-N 0 3 324.468 3.432 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000997286675 660317679 /nfs/dbraw/zinc/31/76/79/660317679.db2.gz GWGHIPIYBDKDBB-OAHLLOKOSA-N 0 3 323.440 3.022 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCCCC2 ZINC001032461431 660322348 /nfs/dbraw/zinc/32/23/48/660322348.db2.gz JWIFSZJZKWWIJP-ROUUACIJSA-N 0 3 324.468 3.430 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(c2ccccc2)CC1 ZINC001032437811 660321067 /nfs/dbraw/zinc/32/10/67/660321067.db2.gz RVABVBKOIQCXER-OALUTQOASA-N 0 3 324.468 3.360 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001032437791 660321148 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30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001033696538 660650793 /nfs/dbraw/zinc/65/07/93/660650793.db2.gz VJYVRJQKRIBJSJ-BBRMVZONSA-N 0 3 318.848 3.089 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033885778 660675569 /nfs/dbraw/zinc/67/55/69/660675569.db2.gz YDOLJIQKSJKAOY-INIZCTEOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909737 660678531 /nfs/dbraw/zinc/67/85/31/660678531.db2.gz ZUFSDFSBZXEBIJ-FJIDUMEYSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034036344 660697498 /nfs/dbraw/zinc/69/74/98/660697498.db2.gz NXUNCVYMTFEUSD-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)noc2C(C)C)CC1 ZINC001005531680 660731163 /nfs/dbraw/zinc/73/11/63/660731163.db2.gz BWXKUOJHNPYJIK-UHFFFAOYSA-N 0 3 319.449 3.219 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001034219259 660724633 /nfs/dbraw/zinc/72/46/33/660724633.db2.gz BTBYWPDSKIGVNA-ZDUSSCGKSA-N 0 3 324.877 3.318 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001034256074 660729404 /nfs/dbraw/zinc/72/94/04/660729404.db2.gz HSVSKUYQGCGFPD-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288391 660732877 /nfs/dbraw/zinc/73/28/77/660732877.db2.gz KEKHBRCRVXWMBD-INIZCTEOSA-N 0 3 313.445 3.119 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001034291318 660733350 /nfs/dbraw/zinc/73/33/50/660733350.db2.gz TZKJDNAGBSLGKS-MRXNPFEDSA-N 0 3 304.409 3.158 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001034304919 660734643 /nfs/dbraw/zinc/73/46/43/660734643.db2.gz VNAVGXFUDSVKIH-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001034311527 660735946 /nfs/dbraw/zinc/73/59/46/660735946.db2.gz KTJUGOGVPZJHSW-INIZCTEOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034319469 660737040 /nfs/dbraw/zinc/73/70/40/660737040.db2.gz FVNIMDVQWRFXRX-QGZVFWFLSA-N 0 3 315.461 3.167 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001034331770 660738243 /nfs/dbraw/zinc/73/82/43/660738243.db2.gz ZWUVORNJBQWVJF-INIZCTEOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001034376673 660744960 /nfs/dbraw/zinc/74/49/60/660744960.db2.gz YCHHHEVFMMNLLU-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001034427127 660749249 /nfs/dbraw/zinc/74/92/49/660749249.db2.gz ZZPODUZBRXMWSC-SJORKVTESA-N 0 3 304.409 3.244 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001034415474 660750584 /nfs/dbraw/zinc/75/05/84/660750584.db2.gz JLICJRCHUYBYKX-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001034447176 660752096 /nfs/dbraw/zinc/75/20/96/660752096.db2.gz DQTUBTPOHLRBCJ-HNNXBMFYSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001034451890 660756032 /nfs/dbraw/zinc/75/60/32/660756032.db2.gz YGKXAOILBGNHPT-GOSISDBHSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001034478774 660757767 /nfs/dbraw/zinc/75/77/67/660757767.db2.gz OICPGZOHODKWLJ-HNNXBMFYSA-N 0 3 318.465 3.002 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001034472771 660758782 /nfs/dbraw/zinc/75/87/82/660758782.db2.gz YPVAUTKRCUASNK-SFHVURJKSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001034483454 660761099 /nfs/dbraw/zinc/76/10/99/660761099.db2.gz DGGYHGHCAFVRTP-IBGZPJMESA-N 0 3 310.441 3.416 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001034483424 660761477 /nfs/dbraw/zinc/76/14/77/660761477.db2.gz CXXRTIFLPPGPAF-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001034508301 660763888 /nfs/dbraw/zinc/76/38/88/660763888.db2.gz HHNPUPAUZHHKDL-HNNXBMFYSA-N 0 3 306.475 3.064 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034503558 660762741 /nfs/dbraw/zinc/76/27/41/660762741.db2.gz OZTBHZCUZJXOGC-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034514002 660764896 /nfs/dbraw/zinc/76/48/96/660764896.db2.gz FBXFAVPTESIBSN-SFHVURJKSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001034500368 660766032 /nfs/dbraw/zinc/76/60/32/660766032.db2.gz KMMUZHKVHPYQON-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001034524858 660766713 /nfs/dbraw/zinc/76/67/13/660766713.db2.gz VMNVGAGNTIEXFN-CQSZACIVSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001034532112 660767284 /nfs/dbraw/zinc/76/72/84/660767284.db2.gz LYKWVOJEBIKKES-KRWDZBQOSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001034536415 660769223 /nfs/dbraw/zinc/76/92/23/660769223.db2.gz UTDNPIGLUPSLRR-OAHLLOKOSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001034547281 660772718 /nfs/dbraw/zinc/77/27/18/660772718.db2.gz OMZQFLYFFAHXQX-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc3cccnc32)CC1 ZINC001005669550 660787400 /nfs/dbraw/zinc/78/74/00/660787400.db2.gz CJUJEZYRYYJNNR-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001045604821 660795520 /nfs/dbraw/zinc/79/55/20/660795520.db2.gz AEBGOXOMTPGTJJ-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001035036048 660811093 /nfs/dbraw/zinc/81/10/93/660811093.db2.gz UWZPBULLDCXBLJ-PBHICJAKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2sc(CCC)nc2C)CC1 ZINC001045640550 660814317 /nfs/dbraw/zinc/81/43/17/660814317.db2.gz WLSNJOYWQUEXOC-UHFFFAOYSA-N 0 3 321.490 3.174 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@H](C)C1)CC2 ZINC001035771228 660850756 /nfs/dbraw/zinc/85/07/56/660850756.db2.gz SIVCHWZWLOBBKJ-DLBZAZTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C1CCCC1)CC2 ZINC001035826933 660853977 /nfs/dbraw/zinc/85/39/77/660853977.db2.gz KUXTZBHYEFFFFG-MSOLQXFVSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(C)cccc1C)CC2 ZINC001035805495 660854602 /nfs/dbraw/zinc/85/46/02/660854602.db2.gz HSOOALYESGESEY-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)C1CCCC1)CC2 ZINC001035836702 660857540 /nfs/dbraw/zinc/85/75/40/660857540.db2.gz BWDNCPZLCQLRBX-INIZCTEOSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC001035841177 660858253 /nfs/dbraw/zinc/85/82/53/660858253.db2.gz BHXSNFYBEBSHSS-UHFFFAOYSA-N 0 3 318.848 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)NCc2cscn2)C1 ZINC001036425521 660904572 /nfs/dbraw/zinc/90/45/72/660904572.db2.gz BPGBYPSLJVADOI-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)NCc2cscn2)C1 ZINC001036425524 660904860 /nfs/dbraw/zinc/90/48/60/660904860.db2.gz BPGBYPSLJVADOI-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001005888536 660946974 /nfs/dbraw/zinc/94/69/74/660946974.db2.gz WCMZSAWJMLQOQU-OLZOCXBDSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2C2(C)CC2)CC1 ZINC001005982508 660954356 /nfs/dbraw/zinc/95/43/56/660954356.db2.gz QEFDURUQBOXNOG-UHFFFAOYSA-N 0 3 312.457 3.461 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 ZINC001006109183 660964128 /nfs/dbraw/zinc/96/41/28/660964128.db2.gz PWXSDTQTJWHPNE-HZPDHXFCSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3occc3s2)CC1 ZINC001005988369 660955185 /nfs/dbraw/zinc/95/51/85/660955185.db2.gz UQXVZLFAFMVSPU-UHFFFAOYSA-N 0 3 304.415 3.217 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC001006036753 660958162 /nfs/dbraw/zinc/95/81/62/660958162.db2.gz BFPCDVNZTWEVAQ-PIIMJCKOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC001006048905 660959457 /nfs/dbraw/zinc/95/94/57/660959457.db2.gz NLDRILBNIMGYHH-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc(Cl)c2F)CC1 ZINC001006055538 660960404 /nfs/dbraw/zinc/96/04/04/660960404.db2.gz YWKJMHUPTFYKDP-UHFFFAOYSA-N 0 3 324.827 3.130 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795101335 661126557 /nfs/dbraw/zinc/12/65/57/661126557.db2.gz LWZKBHLQOAQQMH-JYJNAYRXSA-N 0 3 306.450 3.120 20 30 DGEDHN CC(C)c1ccc([C@@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000795103586 661126881 /nfs/dbraw/zinc/12/68/81/661126881.db2.gz MTHNVEQPTZQESE-SFHVURJKSA-N 0 3 301.434 3.127 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000795336155 661141269 /nfs/dbraw/zinc/14/12/69/661141269.db2.gz XVRNTTMFHMFMJM-UYAOXDASSA-N 0 3 318.420 3.016 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1CCC ZINC000969112041 655523852 /nfs/dbraw/zinc/52/38/52/655523852.db2.gz WVXOGLGOEWUSIX-OAHLLOKOSA-N 0 3 304.434 3.393 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1c(C)nsc1C ZINC000969158778 655529284 /nfs/dbraw/zinc/52/92/84/655529284.db2.gz UKKZRSUQAGBWOW-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000969586649 655551764 /nfs/dbraw/zinc/55/17/64/655551764.db2.gz LVUAQIUMRJOFGN-CYBMUJFWSA-N 0 3 324.827 3.382 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC000969769264 655557206 /nfs/dbraw/zinc/55/72/06/655557206.db2.gz LZDWJILJZBKTPB-CYBMUJFWSA-N 0 3 306.475 3.327 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC000969830207 655558962 /nfs/dbraw/zinc/55/89/62/655558962.db2.gz GDWPPKAVDFEDNM-RHSMWYFYSA-N 0 3 321.852 3.028 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccccc2C(C)(C)C)C1 ZINC000969923361 655564020 /nfs/dbraw/zinc/56/40/20/655564020.db2.gz RZLJBKZMDHWWFQ-HNNXBMFYSA-N 0 3 312.457 3.058 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc3ccc(C)nc32)C1 ZINC000969932011 655564212 /nfs/dbraw/zinc/56/42/12/655564212.db2.gz MTRKNAWOTKMFOT-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2F)C1 ZINC000970092082 655574097 /nfs/dbraw/zinc/57/40/97/655574097.db2.gz LFYRFYKIWDEXPS-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC000970115041 655576680 /nfs/dbraw/zinc/57/66/80/655576680.db2.gz BHGQPFMFKNDJKS-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sccc2C(F)F)C1 ZINC001020991760 655585116 /nfs/dbraw/zinc/58/51/16/655585116.db2.gz PKLLITMWONNTRC-KYZUINATSA-N 0 3 320.792 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001020945001 655582369 /nfs/dbraw/zinc/58/23/69/655582369.db2.gz RYBOIEWBYZBCTB-SHTZXODSSA-N 0 3 324.827 3.093 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001021011506 655586486 /nfs/dbraw/zinc/58/64/86/655586486.db2.gz ZAEHURSFDOAMAW-HAQNSBGRSA-N 0 3 310.850 3.228 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001021086809 655589126 /nfs/dbraw/zinc/58/91/26/655589126.db2.gz QLHDLDLVRDYCSE-HAQNSBGRSA-N 0 3 312.866 3.474 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2sccc2C)C1 ZINC001039178143 655600868 /nfs/dbraw/zinc/60/08/68/655600868.db2.gz LZMFGDZZTKJOGU-HZPDHXFCSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(C3CCCC3)c2)C1 ZINC000970742236 655615652 /nfs/dbraw/zinc/61/56/52/655615652.db2.gz WNHOUVLXRKUCPP-MRXNPFEDSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccccc2C2CCC2)C1 ZINC000970816312 655625485 /nfs/dbraw/zinc/62/54/85/655625485.db2.gz KIRXNSBDBGPABN-OAHLLOKOSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC000970879411 655632545 /nfs/dbraw/zinc/63/25/45/655632545.db2.gz WXNPLGSEBZYYHO-HNNXBMFYSA-N 0 3 323.440 3.308 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC000970931617 655638713 /nfs/dbraw/zinc/63/87/13/655638713.db2.gz ONCGWYDDHSQMJF-CVEARBPZSA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(-c3ccccc3)co2)C1 ZINC000970982405 655647040 /nfs/dbraw/zinc/64/70/40/655647040.db2.gz QWKVPKIEBXDPIG-HNNXBMFYSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C1CCC(C(=O)N2CCC[C@@H]3CN(CC#CC)CC[C@@H]32)CC1 ZINC001021665887 655652191 /nfs/dbraw/zinc/65/21/91/655652191.db2.gz NDOFNHMTYASRGW-MOPGFXCFSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001021720360 655663509 /nfs/dbraw/zinc/66/35/09/655663509.db2.gz XAOKJVZYQXWJOO-NCXUSEDFSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C)ccc2C)C1 ZINC001021722561 655664293 /nfs/dbraw/zinc/66/42/93/655664293.db2.gz OXNHLRXLMJNUTN-ICSRJNTNSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C)cc2C)C1 ZINC001021727749 655664851 /nfs/dbraw/zinc/66/48/51/655664851.db2.gz OFDYNAUZEFAZIS-UYAOXDASSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CCC(C)(C)CC2)C1 ZINC001021744251 655669574 /nfs/dbraw/zinc/66/95/74/655669574.db2.gz VYDKEHIDHNVAQH-QZTJIDSGSA-N 0 3 316.489 3.149 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](C3CCOCC3)C2)cc1F ZINC000933081007 655674362 /nfs/dbraw/zinc/67/43/62/655674362.db2.gz KACHYFRYOJSGDG-KRWDZBQOSA-N 0 3 302.393 3.336 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCOCC3)C2)cc1F ZINC000933081010 655674375 /nfs/dbraw/zinc/67/43/75/655674375.db2.gz KACHYFRYOJSGDG-QGZVFWFLSA-N 0 3 302.393 3.336 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC001041849758 655685174 /nfs/dbraw/zinc/68/51/74/655685174.db2.gz AGTDBKHLNIKMIO-VQTJNVASSA-N 0 3 314.473 3.071 20 30 DGEDHN N#CC(C(=O)CC/C=C\c1ccccc1)C(=O)NC1CCCC1 ZINC000255317042 655697866 /nfs/dbraw/zinc/69/78/66/655697866.db2.gz XXQVVDTXGIEDNL-JDZBVEAQSA-N 0 3 310.397 3.248 20 30 DGEDHN C#CCC1(NCC(=O)Nc2ccccc2C(F)(F)F)CCC1 ZINC000933304077 655698803 /nfs/dbraw/zinc/69/88/03/655698803.db2.gz YNHGBFICNNEOHK-UHFFFAOYSA-N 0 3 310.319 3.180 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC000971551198 655704530 /nfs/dbraw/zinc/70/45/30/655704530.db2.gz GIHHEGRKXJKQCQ-LBPRGKRZSA-N 0 3 312.335 3.096 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC000971553813 655704794 /nfs/dbraw/zinc/70/47/94/655704794.db2.gz VEIGKWBNSGOITF-GFCCVEGCSA-N 0 3 312.335 3.096 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000971640860 655715187 /nfs/dbraw/zinc/71/51/87/655715187.db2.gz KHPNODUYUUOENO-INIZCTEOSA-N 0 3 318.848 3.090 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)C2CCOCC2)c([O-])c1 ZINC000255374955 655720693 /nfs/dbraw/zinc/72/06/93/655720693.db2.gz LIGWMZYGTNFIQO-QIQQCEGHSA-N 0 3 304.434 3.472 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3sccc3s2)C1 ZINC000971794736 655727091 /nfs/dbraw/zinc/72/70/91/655727091.db2.gz LSUHNUOOWJRSJF-NSHDSACASA-N 0 3 306.456 3.295 20 30 DGEDHN O=C1C=COC2(CCN(CCSc3ccc(F)cc3)CC2)C1 ZINC000933645509 655728552 /nfs/dbraw/zinc/72/85/52/655728552.db2.gz RWJNUJVMKTWFNQ-UHFFFAOYSA-N 0 3 321.417 3.256 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](O)CN(C)Cc1cc(C#N)cs1 ZINC000933772785 655732707 /nfs/dbraw/zinc/73/27/07/655732707.db2.gz UZRPRCTYCOUIBX-SUMWQHHRSA-N 0 3 300.427 3.216 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC000971871652 655740267 /nfs/dbraw/zinc/74/02/67/655740267.db2.gz INRPDWROXQJBCL-INIZCTEOSA-N 0 3 316.445 3.151 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(CCCC)cc2)C1 ZINC000971894941 655744377 /nfs/dbraw/zinc/74/43/77/655744377.db2.gz DMWAWRXTUSBPQC-SFHVURJKSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC000972021744 655754740 /nfs/dbraw/zinc/75/47/40/655754740.db2.gz BHXKTDQQYWOBGE-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC000972319715 655788490 /nfs/dbraw/zinc/78/84/90/655788490.db2.gz IZKPNIWOOGIPPW-RBUKOAKNSA-N 0 3 314.473 3.220 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)C[C@H]1C ZINC000947519958 655798878 /nfs/dbraw/zinc/79/88/78/655798878.db2.gz KADIACZHIHRSOB-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC000972453445 655800734 /nfs/dbraw/zinc/80/07/34/655800734.db2.gz LTYBONSUNMEDHZ-GDBMZVCRSA-N 0 3 320.864 3.237 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC000972500982 655810208 /nfs/dbraw/zinc/81/02/08/655810208.db2.gz NIYKAMOQYPQBEF-CEXWTWQISA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001023072406 655811816 /nfs/dbraw/zinc/81/18/16/655811816.db2.gz NDVNXEJAVMMARS-CALCHBBNSA-N 0 3 320.864 3.488 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001023117865 655813599 /nfs/dbraw/zinc/81/35/99/655813599.db2.gz FIQNQGHZAJPVDF-SOUVJXGZSA-N 0 3 306.837 3.088 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2C)C[C@@H]1C ZINC000947555646 655833850 /nfs/dbraw/zinc/83/38/50/655833850.db2.gz KYXQVFRHMOQLDY-HOCLYGCPSA-N 0 3 323.440 3.312 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001023492053 655837277 /nfs/dbraw/zinc/83/72/77/655837277.db2.gz XKQODKQUJWDMFF-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C[C@H]1C ZINC000947569380 655845930 /nfs/dbraw/zinc/84/59/30/655845930.db2.gz XEKWFZIWDIRUHE-OXQOHEQNSA-N 0 3 324.468 3.099 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC001023679844 655854979 /nfs/dbraw/zinc/85/49/79/655854979.db2.gz JQXLPKHZGWSNIQ-MRXNPFEDSA-N 0 3 316.445 3.177 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001023698052 655856052 /nfs/dbraw/zinc/85/60/52/655856052.db2.gz NXOUYNPSOXWSGN-OAHLLOKOSA-N 0 3 318.848 3.032 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001023765055 655863108 /nfs/dbraw/zinc/86/31/08/655863108.db2.gz XVPFONBSUQYKBS-ZDUSSCGKSA-N 0 3 321.490 3.068 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001038294667 655863179 /nfs/dbraw/zinc/86/31/79/655863179.db2.gz TXLCMPPCWPEDBU-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC000972693979 655866473 /nfs/dbraw/zinc/86/64/73/655866473.db2.gz UTRHWXSWLBERLN-VXGBXAGGSA-N 0 3 312.866 3.224 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC000972693976 655866481 /nfs/dbraw/zinc/86/64/81/655866481.db2.gz UTRHWXSWLBERLN-NEPJUHHUSA-N 0 3 312.866 3.224 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC000972698860 655868578 /nfs/dbraw/zinc/86/85/78/655868578.db2.gz ZYEYVNRQZQMPJX-GDBMZVCRSA-N 0 3 312.413 3.255 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)c(Cl)cc2C)C[C@H]1C ZINC000947599384 655876978 /nfs/dbraw/zinc/87/69/78/655876978.db2.gz UJGQJHGFJYFOEE-CABCVRRESA-N 0 3 318.848 3.173 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000972784975 655882193 /nfs/dbraw/zinc/88/21/93/655882193.db2.gz DXZDGZCMHMHBQY-GOSISDBHSA-N 0 3 308.425 3.101 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000972791952 655882844 /nfs/dbraw/zinc/88/28/44/655882844.db2.gz YEDGCJNTIJKGQZ-NSHDSACASA-N 0 3 313.228 3.326 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001024434759 655906104 /nfs/dbraw/zinc/90/61/04/655906104.db2.gz HGJGTFMMSLQOLL-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001024449315 655906393 /nfs/dbraw/zinc/90/63/93/655906393.db2.gz CLNJUHQQMWOAQB-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001024497564 655910846 /nfs/dbraw/zinc/91/08/46/655910846.db2.gz MASONRGOEXLZRE-GFCCVEGCSA-N 0 3 310.850 3.009 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001024540311 655914712 /nfs/dbraw/zinc/91/47/12/655914712.db2.gz JNLGKPODUHRSKM-ZDUSSCGKSA-N 0 3 323.387 3.180 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001024558214 655916589 /nfs/dbraw/zinc/91/65/89/655916589.db2.gz HDTLEJGXDYUSNI-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001024649404 655927817 /nfs/dbraw/zinc/92/78/17/655927817.db2.gz SXZABNCQEVLHDG-QGZVFWFLSA-N 0 3 324.468 3.346 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001024715689 655932939 /nfs/dbraw/zinc/93/29/39/655932939.db2.gz JRLRPUVIUNQMQH-MRXNPFEDSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024747255 655935671 /nfs/dbraw/zinc/93/56/71/655935671.db2.gz NRAWGSVQIQPJQF-MRXNPFEDSA-N 0 3 315.461 3.054 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001024819462 655941651 /nfs/dbraw/zinc/94/16/51/655941651.db2.gz PDPLZNPUSQELNP-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001024823857 655943049 /nfs/dbraw/zinc/94/30/49/655943049.db2.gz FBKJKGMFMDJTFU-ZDUSSCGKSA-N 0 3 310.438 3.438 20 30 DGEDHN COc1ccccc1C(C)(C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000177729913 655943692 /nfs/dbraw/zinc/94/36/92/655943692.db2.gz WRIIDBOFPBIGHN-QGZVFWFLSA-N 0 3 310.397 3.125 20 30 DGEDHN CC[C@@H](C)C(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024875572 655946983 /nfs/dbraw/zinc/94/69/83/655946983.db2.gz AEUHGAGOKVSGQS-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947652321 655951330 /nfs/dbraw/zinc/95/13/30/655951330.db2.gz AOLWPGVQUDRUAM-GJZGRUSLSA-N 0 3 302.418 3.009 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ncccc1C ZINC001025041020 655958613 /nfs/dbraw/zinc/95/86/13/655958613.db2.gz RCPUNEDFHYJKMH-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN CCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001025184207 655973422 /nfs/dbraw/zinc/97/34/22/655973422.db2.gz OOZODSRYDSLKNO-PMACEKPBSA-N 0 3 324.468 3.294 20 30 DGEDHN CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001025184209 655973582 /nfs/dbraw/zinc/97/35/82/655973582.db2.gz OOZODSRYDSLKNO-VQTJNVASSA-N 0 3 324.468 3.294 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196750 655976789 /nfs/dbraw/zinc/97/67/89/655976789.db2.gz ZUMGDEGWEVEOMH-RBUKOAKNSA-N 0 3 310.441 3.087 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cscc1C ZINC001025219028 655979870 /nfs/dbraw/zinc/97/98/70/655979870.db2.gz RUNJGKLDYVKJNP-DLBZAZTESA-N 0 3 316.470 3.149 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC(C)(C)C1 ZINC001025227722 655982125 /nfs/dbraw/zinc/98/21/25/655982125.db2.gz BBUHEEFNYWZGNS-ZWKOTPCHSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(CC)o1 ZINC001025244040 655983873 /nfs/dbraw/zinc/98/38/73/655983873.db2.gz GKMFTAKELGVSPG-IAGOWNOFSA-N 0 3 316.445 3.487 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccc(C)cc1 ZINC001025248141 655984162 /nfs/dbraw/zinc/98/41/62/655984162.db2.gz VTFVPTNMWQBADF-VQTJNVASSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C2CC2)CCC1 ZINC001025254007 655985392 /nfs/dbraw/zinc/98/53/92/655985392.db2.gz CVPPOSDSRXINRZ-QZTJIDSGSA-N 0 3 314.473 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cocc1C ZINC001025256193 655985988 /nfs/dbraw/zinc/98/59/88/655985988.db2.gz VEWXUPQBEJIICG-QZTJIDSGSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C=C)cc1 ZINC001025265957 655986522 /nfs/dbraw/zinc/98/65/22/655986522.db2.gz BBGGHCXIDPUQJA-WOJBJXKFSA-N 0 3 322.452 3.422 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260645 655986606 /nfs/dbraw/zinc/98/66/06/655986606.db2.gz YUDVEESUIURFEN-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001025261852 655986802 /nfs/dbraw/zinc/98/68/02/655986802.db2.gz YJQYRSXCADLPMW-ZWKOTPCHSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001025261851 655986912 /nfs/dbraw/zinc/98/69/12/655986912.db2.gz YJQYRSXCADLPMW-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2CC#CC)C1 ZINC001025269076 655987190 /nfs/dbraw/zinc/98/71/90/655987190.db2.gz KKXLWCGORRRXMB-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001025269491 655987453 /nfs/dbraw/zinc/98/74/53/655987453.db2.gz RJPBCUNZLNMMBA-QZTJIDSGSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CC)CCCC1 ZINC001025285146 655989465 /nfs/dbraw/zinc/98/94/65/655989465.db2.gz SMNCWJSANUVVEQ-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC001025563966 656036928 /nfs/dbraw/zinc/03/69/28/656036928.db2.gz GVYAWGKDVWTDTJ-GJZGRUSLSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001025566442 656037565 /nfs/dbraw/zinc/03/75/65/656037565.db2.gz ASUNALZBLOTSLS-CADBVGFASA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001025614003 656047758 /nfs/dbraw/zinc/04/77/58/656047758.db2.gz DXRISYGULZXSBG-ZWKOTPCHSA-N 0 3 312.457 3.075 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001025628703 656051253 /nfs/dbraw/zinc/05/12/53/656051253.db2.gz UHRKIKITNRNKKM-BEFAXECRSA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2sccc2CC)C1 ZINC001025630581 656051733 /nfs/dbraw/zinc/05/17/33/656051733.db2.gz UKOSPKYLHDFQQR-HOCLYGCPSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001025630613 656051912 /nfs/dbraw/zinc/05/19/12/656051912.db2.gz UOTQTKDHDIRXHV-RDJZCZTQSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001025630615 656051945 /nfs/dbraw/zinc/05/19/45/656051945.db2.gz UOTQTKDHDIRXHV-WBVHZDCISA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC001025632843 656052464 /nfs/dbraw/zinc/05/24/64/656052464.db2.gz PDWGSCNGEWMUJV-BEFAXECRSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)C1 ZINC001026027972 656078259 /nfs/dbraw/zinc/07/82/59/656078259.db2.gz AUVIKKVNTHFBQK-WBJVCBNISA-N 0 3 322.452 3.103 20 30 DGEDHN 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324.468 3.371 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@]3(C)CCC[C@H]3CC)C2)CC1 ZINC001040746985 656605174 /nfs/dbraw/zinc/60/51/74/656605174.db2.gz JJSNXGUKVWMRDQ-IEBWSBKVSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049366509 656610120 /nfs/dbraw/zinc/61/01/20/656610120.db2.gz KVOWEZGNJPIXSD-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1oc(C)cc1C ZINC001049400869 656613209 /nfs/dbraw/zinc/61/32/09/656613209.db2.gz KPTMFROOPUFNRK-HOTGVXAUSA-N 0 3 302.418 3.151 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C3(C)C(C)(C)C3(C)C)C2)CC1 ZINC001040954025 656617385 /nfs/dbraw/zinc/61/73/85/656617385.db2.gz MLGDEFNVLGEGKX-UHFFFAOYSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001028028479 656617814 /nfs/dbraw/zinc/61/78/14/656617814.db2.gz BTJIWLZNTHGJMK-AEFFLSMTSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1sc(C)cc1C ZINC001049499054 656630694 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C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cccc(C(C)C)c1 ZINC001049567800 656642284 /nfs/dbraw/zinc/64/22/84/656642284.db2.gz OYIVDOHFWXSKBM-UXHICEINSA-N 0 3 324.468 3.051 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c2ccccc12 ZINC001049575040 656642795 /nfs/dbraw/zinc/64/27/95/656642795.db2.gz FYSJDFBBFPKBMV-MSOLQXFVSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C(C)C)n1 ZINC001049573298 656642832 /nfs/dbraw/zinc/64/28/32/656642832.db2.gz RTCXVACXEZJWIO-ROUUACIJSA-N 0 3 313.445 3.070 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)oc(C)c1C ZINC001049583815 656645027 /nfs/dbraw/zinc/64/50/27/656645027.db2.gz ZQNDWPQKDAFOCN-CVEARBPZSA-N 0 3 302.418 3.070 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1ccc(C)cc1 ZINC001049584153 656646035 /nfs/dbraw/zinc/64/60/35/656646035.db2.gz OIHKQCYRCOZRRP-VQTJNVASSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001028053435 656652405 /nfs/dbraw/zinc/65/24/05/656652405.db2.gz FFQBWQZZMHBQPV-INIZCTEOSA-N 0 3 323.440 3.002 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001049633955 656652843 /nfs/dbraw/zinc/65/28/43/656652843.db2.gz OFLJUDQFLXRUDX-MOPGFXCFSA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1csc2ccccc12 ZINC001028056991 656656215 /nfs/dbraw/zinc/65/62/15/656656215.db2.gz AKADFRWXGHHMCA-ZDUSSCGKSA-N 0 3 300.427 3.282 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@]3(CCN(C[C@@H](F)CC)C3)C2)CC1 ZINC001041635701 656660830 /nfs/dbraw/zinc/66/08/30/656660830.db2.gz MVNOBUJYWINNQA-PKOBYXMFSA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(C(F)F)c1 ZINC001049669859 656661935 /nfs/dbraw/zinc/66/19/35/656661935.db2.gz BGWSPARMVQFLOQ-OLZOCXBDSA-N 0 3 310.344 3.082 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(CCN(C[C@@H](F)CC)C3)C2)C1 ZINC001041654982 656663204 /nfs/dbraw/zinc/66/32/04/656663204.db2.gz BMUIWRRWHMTPEV-MAUKXSAKSA-N 0 3 308.441 3.015 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C1CCC1)C1CCC1 ZINC001049680344 656663802 /nfs/dbraw/zinc/66/38/02/656663802.db2.gz NSCFZYIFGBDSIG-MSOLQXFVSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cc3ccccc3nc2C)CC1 ZINC000981272330 656666150 /nfs/dbraw/zinc/66/61/50/656666150.db2.gz CBQQBMSGLJKHKF-UHFFFAOYSA-N 0 3 323.440 3.267 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cccc(OCCC)c2)CC1 ZINC000981281752 656669636 /nfs/dbraw/zinc/66/96/36/656669636.db2.gz LUQIGFSRHIJYGO-UHFFFAOYSA-N 0 3 316.445 3.199 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC001041793039 656676070 /nfs/dbraw/zinc/67/60/70/656676070.db2.gz ZYGZBYNUGXXZFP-RXVVDRJESA-N 0 3 324.468 3.046 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)ccc1F ZINC001049751245 656678862 /nfs/dbraw/zinc/67/88/62/656678862.db2.gz RTYXACBNFOXQJA-QZTJIDSGSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCC(F)(F)CC1 ZINC001049750429 656679251 /nfs/dbraw/zinc/67/92/51/656679251.db2.gz WQYFLXHXCKLAIH-HUUCEWRRSA-N 0 3 312.404 3.063 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccccc3C3CCC3)C2)C1 ZINC001041809253 656679588 /nfs/dbraw/zinc/67/95/88/656679588.db2.gz HJJJCQMCNFYJQO-NRFANRHFSA-N 0 3 322.452 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)c1ccccc1 ZINC001049752216 656680151 /nfs/dbraw/zinc/68/01/51/656680151.db2.gz GARXLBWWJQWZPH-KZNAEPCWSA-N 0 3 316.420 3.339 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsc1Cl ZINC001049761894 656682360 /nfs/dbraw/zinc/68/23/60/656682360.db2.gz MRDDJVQHIVKAEQ-QWHCGFSZSA-N 0 3 310.850 3.266 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001049770395 656683584 /nfs/dbraw/zinc/68/35/84/656683584.db2.gz QVXOEPQLDDSXKD-YDZRNGNQSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001049782504 656686360 /nfs/dbraw/zinc/68/63/60/656686360.db2.gz PQDBXYPPXPRJJV-ZGXWSNOMSA-N 0 3 324.468 3.350 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2cccnc2c1 ZINC001049800048 656689219 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C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001049853528 656698853 /nfs/dbraw/zinc/69/88/53/656698853.db2.gz BGEVTSIELDBLEC-TVFCKZIOSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001049854286 656699745 /nfs/dbraw/zinc/69/97/45/656699745.db2.gz LWTVOKYWCGMXTI-NCXUSEDFSA-N 0 3 316.489 3.291 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(F)cccc1F ZINC001049864161 656704163 /nfs/dbraw/zinc/70/41/63/656704163.db2.gz QRZWREVNXKESSC-CVEARBPZSA-N 0 3 320.383 3.220 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(F)F)o1 ZINC001049876636 656709819 /nfs/dbraw/zinc/70/98/19/656709819.db2.gz NJDFRQLMRNIZAI-OLZOCXBDSA-N 0 3 324.371 3.472 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)cc(C)cc1C ZINC001049882594 656712961 /nfs/dbraw/zinc/71/29/61/656712961.db2.gz ZHECAMGDQRWNKF-RBUKOAKNSA-N 0 3 324.468 3.314 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2ccccc2[nH]1 ZINC001049883133 656712997 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C=C(C)CN1CC[C@@H]2CCN(C(=O)c3sc(C)cc3C)C[C@H]21 ZINC001042076948 656719479 /nfs/dbraw/zinc/71/94/79/656719479.db2.gz XQSAPSICDAOOHU-HZPDHXFCSA-N 0 3 318.486 3.477 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3csc(C)c3C)C[C@@H]21 ZINC001042075122 656719511 /nfs/dbraw/zinc/71/95/11/656719511.db2.gz AOLAODRQYRDOJH-ZBFHGGJFSA-N 0 3 304.459 3.087 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1ccccc1 ZINC001049910909 656719840 /nfs/dbraw/zinc/71/98/40/656719840.db2.gz WOLNQPQWGLDVTP-NZSAHSFTSA-N 0 3 312.457 3.117 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)oc4ccccc43)C[C@@H]21 ZINC001042078131 656720679 /nfs/dbraw/zinc/72/06/79/656720679.db2.gz UGZVTTIPEUQLHO-WBVHZDCISA-N 0 3 324.424 3.464 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2cc(COC)cs2)CC1 ZINC000981560870 656721285 /nfs/dbraw/zinc/72/12/85/656721285.db2.gz OHIJFPHJCIHCOP-UHFFFAOYSA-N 0 3 322.474 3.009 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C)CCc2ccccc21 ZINC001049917335 656722332 /nfs/dbraw/zinc/72/23/32/656722332.db2.gz LVTFMSZVQSEMPN-SFHLNBCPSA-N 0 3 324.468 3.142 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001049919471 656722875 /nfs/dbraw/zinc/72/28/75/656722875.db2.gz WFCUVVJFXBDVHW-YESZJQIVSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc2ccccc21 ZINC001049920752 656723831 /nfs/dbraw/zinc/72/38/31/656723831.db2.gz UPZGYCIXNABCHI-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCC1(C)C ZINC001049923390 656724893 /nfs/dbraw/zinc/72/48/93/656724893.db2.gz LHXBGOIALDKCLG-RCCFBDPRSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)C[C@@H]21 ZINC001042142289 656726142 /nfs/dbraw/zinc/72/61/42/656726142.db2.gz MWJQDAOFSPQTPW-HKUYNNGSSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C[C@@H]21 ZINC001042200646 656735116 /nfs/dbraw/zinc/73/51/16/656735116.db2.gz HYPHPXBFAINANT-YJBOKZPZSA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(Cl)c3F)C[C@@H]21 ZINC001042205672 656735947 /nfs/dbraw/zinc/73/59/47/656735947.db2.gz DUZQZGFABNUPFW-DOMZBBRYSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028106944 656737448 /nfs/dbraw/zinc/73/74/48/656737448.db2.gz HWSQMEDPCCNSGY-SFHVURJKSA-N 0 3 300.446 3.409 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)C[C@@H]21 ZINC001042245638 656744511 /nfs/dbraw/zinc/74/45/11/656744511.db2.gz RKXZSHAHWLZTQD-WFASDCNBSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C(C)C)oc3C)C[C@H]21 ZINC001042297118 656748395 /nfs/dbraw/zinc/74/83/95/656748395.db2.gz MDPKNABCNBLCLA-NVXWUHKLSA-N 0 3 316.445 3.434 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC001042327403 656753808 /nfs/dbraw/zinc/75/38/08/656753808.db2.gz NUEYSVOUQZICBI-BBRMVZONSA-N 0 3 304.821 3.062 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccc(C(F)F)o3)C[C@@H]21 ZINC001042330528 656754447 /nfs/dbraw/zinc/75/44/47/656754447.db2.gz AVHRDRQXEICIHO-OLZOCXBDSA-N 0 3 324.371 3.330 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3Cl)C[C@H]21 ZINC001042337909 656758655 /nfs/dbraw/zinc/75/86/55/656758655.db2.gz HKWMIYSTKVZILR-MLGOLLRUSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)c3ccccc3)C[C@@H]21 ZINC001042343980 656761061 /nfs/dbraw/zinc/76/10/61/656761061.db2.gz QCVLYKWMEBVSRT-AEFFLSMTSA-N 0 3 312.457 3.073 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cc(C)c(C)s3)C[C@@H]21 ZINC001042345076 656761140 /nfs/dbraw/zinc/76/11/40/656761140.db2.gz HRLYWSXIUWSHBE-CVEARBPZSA-N 0 3 318.486 3.477 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3sccc3CC)C[C@H]21 ZINC001042367178 656764656 /nfs/dbraw/zinc/76/46/56/656764656.db2.gz CAYBJVKACYLOFY-JKSUJKDBSA-N 0 3 318.486 3.423 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C)C(C)(C)C3(C)C)C[C@H]21 ZINC001042379570 656769288 /nfs/dbraw/zinc/76/92/88/656769288.db2.gz MUXQSAPVINOSFD-LSDHHAIUSA-N 0 3 304.478 3.168 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3coc4ccccc34)C[C@@H]21 ZINC001042379259 656770022 /nfs/dbraw/zinc/77/00/22/656770022.db2.gz IVOGTXHNCVRQCB-PBHICJAKSA-N 0 3 310.397 3.155 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)CC1 ZINC001052834248 656773906 /nfs/dbraw/zinc/77/39/06/656773906.db2.gz ARVRBSONGAHEHB-INIZCTEOSA-N 0 3 323.440 3.002 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC001052850392 656776583 /nfs/dbraw/zinc/77/65/83/656776583.db2.gz PNLCNXBPDXDHCO-IBGZPJMESA-N 0 3 322.408 3.164 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC001052850393 656777009 /nfs/dbraw/zinc/77/70/09/656777009.db2.gz PNLCNXBPDXDHCO-LJQANCHMSA-N 0 3 322.408 3.164 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCc4ccccc43)C2)C1 ZINC000981848362 656786953 /nfs/dbraw/zinc/78/69/53/656786953.db2.gz LIOPKOUVVDZVMU-LJQANCHMSA-N 0 3 324.468 3.217 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028144273 656790164 /nfs/dbraw/zinc/79/01/64/656790164.db2.gz YPDFPXCVEJXKNG-INIZCTEOSA-N 0 3 313.445 3.038 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)c2ccccc2C)CC1 ZINC001052953370 656795487 /nfs/dbraw/zinc/79/54/87/656795487.db2.gz WFWVPPKYHRBHLP-MSOLQXFVSA-N 0 3 312.457 3.093 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001052951458 656796190 /nfs/dbraw/zinc/79/61/90/656796190.db2.gz JRRZDAVAUDBHQW-PKOBYXMFSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC001052955211 656796719 /nfs/dbraw/zinc/79/67/19/656796719.db2.gz AUXJDWXNRHJMGT-QGZVFWFLSA-N 0 3 324.424 3.349 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(C(C)C)s2)CC1 ZINC001052962586 656799313 /nfs/dbraw/zinc/79/93/13/656799313.db2.gz HCRSTVNNDAVHLV-HNNXBMFYSA-N 0 3 318.486 3.479 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001052965564 656800475 /nfs/dbraw/zinc/80/04/75/656800475.db2.gz OWGVJTICLLNURW-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001052968234 656802423 /nfs/dbraw/zinc/80/24/23/656802423.db2.gz XDOPHHKDRYDLMN-MJGOQNOKSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001052980338 656806748 /nfs/dbraw/zinc/80/67/48/656806748.db2.gz XKDNSDNBOSNJKD-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC001052984087 656807995 /nfs/dbraw/zinc/80/79/95/656807995.db2.gz YBGZCNMQGDMUKH-HXUWFJFHSA-N 0 3 322.452 3.471 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CCCC2)C1 ZINC001053065340 656841835 /nfs/dbraw/zinc/84/18/35/656841835.db2.gz GBEATGYKDXUBDU-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001053076709 656845237 /nfs/dbraw/zinc/84/52/37/656845237.db2.gz SHRFDIUOQDWQKL-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C(C)=C2CCC2)C1 ZINC001053086793 656849753 /nfs/dbraw/zinc/84/97/53/656849753.db2.gz OTMCWFICTVVMCO-RBUKOAKNSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C2C=CC=CC=C2)C1 ZINC001053086264 656850493 /nfs/dbraw/zinc/85/04/93/656850493.db2.gz LZNOITONCVIIRQ-VQTJNVASSA-N 0 3 324.468 3.011 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000982022301 656863205 /nfs/dbraw/zinc/86/32/05/656863205.db2.gz JHMWHWGFPURAEX-UHFFFAOYSA-N 0 3 310.800 3.203 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001028207177 656867677 /nfs/dbraw/zinc/86/76/77/656867677.db2.gz AOOZRRZOIPIXOC-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccsc3Cl)C2)C1 ZINC000982051341 656877138 /nfs/dbraw/zinc/87/71/38/656877138.db2.gz QDOIVKKRNYRJQT-UHFFFAOYSA-N 0 3 310.850 3.126 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1CCCC1 ZINC001054029351 656882226 /nfs/dbraw/zinc/88/22/26/656882226.db2.gz LGTVCZWGDYDUAV-LJQANCHMSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H](CC2CCCC2)C(C)C)CC1 ZINC000982072365 656888207 /nfs/dbraw/zinc/88/82/07/656888207.db2.gz VESXXCNSSMPQOF-IBGZPJMESA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000982075030 656889143 /nfs/dbraw/zinc/88/91/43/656889143.db2.gz NSFSNXKXTIXADE-GOSISDBHSA-N 0 3 312.457 3.046 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)c3ccccc3F)C2)C1 ZINC000982073744 656889664 /nfs/dbraw/zinc/88/96/64/656889664.db2.gz CHNPVOKKRVSUSF-HNNXBMFYSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCCN1CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000982151671 656906124 /nfs/dbraw/zinc/90/61/24/656906124.db2.gz LANDOZZWDVYVAA-QUCCMNQESA-N 0 3 312.457 3.291 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@]2(CCN(CC#CC)C2)C1 ZINC001054138828 656918563 /nfs/dbraw/zinc/91/85/63/656918563.db2.gz XZHNOSGJUCBNID-GOSISDBHSA-N 0 3 322.880 3.103 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000982226917 656921088 /nfs/dbraw/zinc/92/10/88/656921088.db2.gz DJMPYCXSIHFWSA-ZWKOTPCHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001054175085 656924727 /nfs/dbraw/zinc/92/47/27/656924727.db2.gz HACPWFUPVDWAAX-RCMYXZNBSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054175087 656924931 /nfs/dbraw/zinc/92/49/31/656924931.db2.gz HACPWFUPVDWAAX-UXHZXRBQSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2sccc2c1 ZINC001028235843 656933023 /nfs/dbraw/zinc/93/30/23/656933023.db2.gz FMOPVWICYFLSIY-HNNXBMFYSA-N 0 3 300.427 3.282 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cccc(F)c3C)C[C@]2(C)C1 ZINC000982286332 656936955 /nfs/dbraw/zinc/93/69/55/656936955.db2.gz IVUYFCPEQYBXTG-KDURUIRLSA-N 0 3 316.420 3.104 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1csc(C)c1)C2 ZINC001054214210 656939791 /nfs/dbraw/zinc/93/97/91/656939791.db2.gz SZRRGVXXHFUMMA-GOSISDBHSA-N 0 3 316.470 3.008 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)c1ccccc1)C2 ZINC001054228929 656941621 /nfs/dbraw/zinc/94/16/21/656941621.db2.gz DSMPSAYVSAJELF-RXVVDRJESA-N 0 3 324.468 3.128 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C(C)C)cc1)C2 ZINC001054231609 656942562 /nfs/dbraw/zinc/94/25/62/656942562.db2.gz VNNNLXJUMCGTDY-NRFANRHFSA-N 0 3 324.468 3.371 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)c3ccco3)cc2C1 ZINC001054253431 656951300 /nfs/dbraw/zinc/95/13/00/656951300.db2.gz YHZLPPGAPSCZHK-UHFFFAOYSA-N 0 3 310.397 3.491 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)c3ccc[nH]3)cc2C1 ZINC001054254772 656952209 /nfs/dbraw/zinc/95/22/09/656952209.db2.gz HKCZPFNNKHMWFD-UHFFFAOYSA-N 0 3 309.413 3.227 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C3CC(F)(F)C3)cc2C1 ZINC001054261272 656953660 /nfs/dbraw/zinc/95/36/60/656953660.db2.gz WOSVXTQAWDOWMU-UHFFFAOYSA-N 0 3 320.383 3.240 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@H]3CC34CC4)cc2C1 ZINC001054284369 656960877 /nfs/dbraw/zinc/96/08/77/656960877.db2.gz PMAVPAWBYPZHGH-GOSISDBHSA-N 0 3 310.441 3.385 20 30 DGEDHN C=C(C)CCN1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)s1 ZINC001028276855 656963635 /nfs/dbraw/zinc/96/36/35/656963635.db2.gz LVJUHAPXGSFNKF-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1coc2ccc(F)cc12 ZINC001028287702 656973214 /nfs/dbraw/zinc/97/32/14/656973214.db2.gz ROURWPDBENTNCJ-CQSZACIVSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3coc(C(F)F)c3)C[C@]2(C)C1 ZINC000982476346 656979678 /nfs/dbraw/zinc/97/96/78/656979678.db2.gz WBJVVQSZSYPOJQ-CALCHBBNSA-N 0 3 324.371 3.187 20 30 DGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1sc(CCC)nc1C ZINC001028314362 656990636 /nfs/dbraw/zinc/99/06/36/656990636.db2.gz AJOMKSYPVVNCAO-AWEZNQCLSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1sc(C(C)C)nc1C ZINC001028317122 656991634 /nfs/dbraw/zinc/99/16/34/656991634.db2.gz XSUDJERHWSOQON-CQSZACIVSA-N 0 3 321.490 3.345 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1c(C)nsc1C ZINC001045149405 656995567 /nfs/dbraw/zinc/99/55/67/656995567.db2.gz BQGUFFAXIZPJAT-AWEZNQCLSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNCc1cnc(C)s1 ZINC001045146842 656995690 /nfs/dbraw/zinc/99/56/90/656995690.db2.gz HLOQEHKBHGSRQB-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNCc1scnc1C 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C=CC(C)(C)C(=O)N1C[C@H](NCc2ccccc2Cl)[C@@H](C)C1 ZINC001054977015 657027770 /nfs/dbraw/zinc/02/77/70/657027770.db2.gz SFKGXUVFDJBCSO-BBRMVZONSA-N 0 3 320.864 3.489 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@]3(C)CCC[C@@H]3C)C[C@]2(C)C1 ZINC000982520622 657034840 /nfs/dbraw/zinc/03/48/40/657034840.db2.gz UEJHPWMEZSOSAN-FFGOWVMKSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@]3(C)CCC[C@H]3C)C[C@]2(C)C1 ZINC000982520624 657034913 /nfs/dbraw/zinc/03/49/13/657034913.db2.gz UEJHPWMEZSOSAN-LMCOJAPRSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC[C@H]3CC)C[C@]2(C)C1 ZINC000982519302 657035578 /nfs/dbraw/zinc/03/55/78/657035578.db2.gz BSXYZOJROGCHSB-BWPNAZKDSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(OCC)c(C)c2)CC1 ZINC001045578164 657039196 /nfs/dbraw/zinc/03/91/96/657039196.db2.gz ZWCZHUREZAYJAI-UHFFFAOYSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001045634974 657046709 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QAAVHLIGZVWEKX-HZPDHXFCSA-N 0 3 323.481 3.361 20 30 DGEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)ccc1C ZINC000930135959 661369591 /nfs/dbraw/zinc/36/95/91/661369591.db2.gz ICTKKWUIWWKTAP-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(Cl)cc(C#N)c4)[C@H]1[C@H]3C2 ZINC000930454113 661400015 /nfs/dbraw/zinc/40/00/15/661400015.db2.gz VCBOFUNOGHERRU-XPYWIHLFSA-N 0 3 302.805 3.067 20 30 DGEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CCCC2(CCC2)O1 ZINC000930844949 661433918 /nfs/dbraw/zinc/43/39/18/661433918.db2.gz INYFQHSWJHYBSU-ZWKOTPCHSA-N 0 3 314.429 3.015 20 30 DGEDHN CC(C)(C)OC(=O)N(CCCN1CCC[C@@H](CC#N)C1)C1CC1 ZINC000930921680 661439070 /nfs/dbraw/zinc/43/90/70/661439070.db2.gz GRDIJICHQIXBHD-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN N#Cc1cncc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000931374930 661472351 /nfs/dbraw/zinc/47/23/51/661472351.db2.gz QSTMFVNPIRDAEM-SJORKVTESA-N 0 3 313.788 3.226 20 30 DGEDHN CC(C)(C)NC(=O)[C@@H]1CCCN1CCCCC1(C#N)CCC1 ZINC000932436252 661569568 /nfs/dbraw/zinc/56/95/68/661569568.db2.gz QZRILZPJQQKDPF-HNNXBMFYSA-N 0 3 305.466 3.230 20 30 DGEDHN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000932556325 661578859 /nfs/dbraw/zinc/57/88/59/661578859.db2.gz LFZJBWLCFZRMRW-LBTNJELSSA-N 0 3 319.424 3.228 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(CCC#N)cc1 ZINC000932563044 661579845 /nfs/dbraw/zinc/57/98/45/661579845.db2.gz XAUBYQNOSBWSCQ-INIZCTEOSA-N 0 3 314.433 3.137 20 30 DGEDHN Cc1cc(F)ccc1[C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000932567085 661580930 /nfs/dbraw/zinc/58/09/30/661580930.db2.gz LFZJBWLCFZRMRW-PMUMKWKESA-N 0 3 319.424 3.228 20 30 DGEDHN C=CC[C@H](C)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000932707639 661593096 /nfs/dbraw/zinc/59/30/96/661593096.db2.gz ASBHATGGAKDEKT-HNNXBMFYSA-N 0 3 324.465 3.053 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC3(CC2)C[C@H](O)c2ccccc2O3)C1 ZINC000933068969 661615425 /nfs/dbraw/zinc/61/54/25/661615425.db2.gz KOIANNYSXLSGOP-INMHGKMJSA-N 0 3 312.413 3.029 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933084758 661616955 /nfs/dbraw/zinc/61/69/55/661616955.db2.gz WKUFJSTWNDVTCE-GOSISDBHSA-N 0 3 301.405 3.316 20 30 DGEDHN C#CCC1(NCC(=O)Nc2ccc(C(F)(F)F)cc2)CCC1 ZINC000933299967 661628482 /nfs/dbraw/zinc/62/84/82/661628482.db2.gz NDZIRAYISRXXIJ-UHFFFAOYSA-N 0 3 310.319 3.180 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@H]1CN(C)Cc1cc(C#N)cs1 ZINC000933771035 661656667 /nfs/dbraw/zinc/65/66/67/661656667.db2.gz VGEUSBCJRMXMGZ-DZGCQCFKSA-N 0 3 306.431 3.031 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCOC12CCCCC2 ZINC000933872657 661664129 /nfs/dbraw/zinc/66/41/29/661664129.db2.gz NYOMQFDTNRDVSF-QGZVFWFLSA-N 0 3 300.402 3.148 20 30 DGEDHN N#Cc1ccc(CN2CCCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000933918119 661666345 /nfs/dbraw/zinc/66/63/45/661666345.db2.gz QIJWMRDLRFRYRJ-MRXNPFEDSA-N 0 3 317.414 3.184 20 30 DGEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)CCN1c1ccccc1 ZINC000934320639 661696887 /nfs/dbraw/zinc/69/68/87/661696887.db2.gz AQXQGPKGJJWXFC-KRWDZBQOSA-N 0 3 321.424 3.300 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN[C@@H]1CCOC12CCCC2 ZINC000934393784 661704025 /nfs/dbraw/zinc/70/40/25/661704025.db2.gz BYWKRLCUWXRZIH-MRXNPFEDSA-N 0 3 320.820 3.434 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cnc(C(F)F)c(C)c2)CC1 ZINC000934607829 661718373 /nfs/dbraw/zinc/71/83/73/661718373.db2.gz XZTNISIWWCTGCT-UHFFFAOYSA-N 0 3 324.375 3.100 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](C)c2cc3ccccc3c(OC)c2)C1=O ZINC000934637356 661721067 /nfs/dbraw/zinc/72/10/67/661721067.db2.gz ZRKSBUQQHICVFG-RDTXWAMCSA-N 0 3 324.424 3.286 20 30 DGEDHN N#CC1(CCCCN2CCOC[C@@H]2CC2CCOCC2)CCC1 ZINC000934640075 661721678 /nfs/dbraw/zinc/72/16/78/661721678.db2.gz OEXZTRSGDHKJEL-SFHVURJKSA-N 0 3 320.477 3.368 20 30 DGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000934648444 661721907 /nfs/dbraw/zinc/72/19/07/661721907.db2.gz PMRUFDPHZYPZFD-CYBMUJFWSA-N 0 3 303.406 3.383 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2CC1(CC#N)CC1 ZINC000934661347 661723119 /nfs/dbraw/zinc/72/31/19/661723119.db2.gz PVZVZCKAPPNBGY-KBXCAEBGSA-N 0 3 319.449 3.059 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000934929683 661749179 /nfs/dbraw/zinc/74/91/79/661749179.db2.gz VFUREBCRZJWIOB-OALUTQOASA-N 0 3 319.408 3.235 20 30 DGEDHN C#Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000934937686 661750113 /nfs/dbraw/zinc/75/01/13/661750113.db2.gz OJXUKOIYUDMUEU-UHFFFAOYSA-N 0 3 321.424 3.264 20 30 DGEDHN CC(C)c1noc(CCC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000041539063 661835574 /nfs/dbraw/zinc/83/55/74/661835574.db2.gz BDOBVYKPOUFKMB-LLVKDONJSA-N 0 3 324.340 3.143 20 30 DGEDHN CCCN(CCNCc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000159268772 661884840 /nfs/dbraw/zinc/88/48/40/661884840.db2.gz SHYRTGYTEQEEBH-UHFFFAOYSA-N 0 3 317.433 3.295 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C[C@H]1C ZINC000947399794 661906908 /nfs/dbraw/zinc/90/69/08/661906908.db2.gz KTODYMUKHSXWLD-WBVHZDCISA-N 0 3 304.478 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C[C@H]1C ZINC000947523963 661914238 /nfs/dbraw/zinc/91/42/38/661914238.db2.gz LWFCLJHVKHDMRF-ZBFHGGJFSA-N 0 3 323.440 3.082 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c3ccccc23)C[C@@H]1C ZINC000947734553 661927533 /nfs/dbraw/zinc/92/75/33/661927533.db2.gz AWAGPNUGAVZNPV-LSDHHAIUSA-N 0 3 324.399 3.195 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(CC)CC)no2)C[C@@H]1C ZINC000947778723 661931509 /nfs/dbraw/zinc/93/15/09/661931509.db2.gz IRSGPKSUTVJZPV-ZFWWWQNUSA-N 0 3 319.449 3.347 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2scnc2C(C)(C)C)C[C@@H]1C ZINC000947791315 661932103 /nfs/dbraw/zinc/93/21/03/661932103.db2.gz AZSAIFWISDLZCL-QWHCGFSZSA-N 0 3 321.490 3.209 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)C[C@H]1C ZINC000947824442 661933411 /nfs/dbraw/zinc/93/34/11/661933411.db2.gz HJURTMMZTGOPOK-OLZOCXBDSA-N 0 3 322.836 3.117 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@H]1C ZINC000947953227 661939815 /nfs/dbraw/zinc/93/98/15/661939815.db2.gz LIXDHWVEUWZEBT-TVFCKZIOSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2Cl)C[C@H]1C ZINC000947963397 661940736 /nfs/dbraw/zinc/94/07/36/661940736.db2.gz UJVHJSGJSYMECC-NEPJUHHUSA-N 0 3 310.800 3.248 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)C[C@H]1C ZINC000947980753 661941831 /nfs/dbraw/zinc/94/18/31/661941831.db2.gz RWZFXZZLOOXCJY-OLZOCXBDSA-N 0 3 324.877 3.316 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C[C@H]1C ZINC000948032120 661945381 /nfs/dbraw/zinc/94/53/81/661945381.db2.gz QZRATJMDSPCFFV-TZMCWYRMSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3cccc(F)c3o2)C[C@H]1C ZINC000948066058 661947514 /nfs/dbraw/zinc/94/75/14/661947514.db2.gz MOXBNZYUVPHKJN-OCCSQVGLSA-N 0 3 316.376 3.341 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@H]1C ZINC000948074030 661948264 /nfs/dbraw/zinc/94/82/64/661948264.db2.gz PVGDAEKRCYPBEB-HUUCEWRRSA-N 0 3 302.418 3.009 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C[C@@H]1C ZINC000948094511 661950838 /nfs/dbraw/zinc/95/08/38/661950838.db2.gz LURCBLAJNIRIES-ZWKOTPCHSA-N 0 3 324.468 3.019 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@@H]1C ZINC000948094949 661950932 /nfs/dbraw/zinc/95/09/32/661950932.db2.gz RERLSSQKJXYKHC-LSDHHAIUSA-N 0 3 310.397 3.039 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)c(CC)c2)C[C@@H]1C ZINC000948098575 661950969 /nfs/dbraw/zinc/95/09/69/661950969.db2.gz CCHYLNKCJLJERA-HNAYVOBHSA-N 0 3 312.457 3.027 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C[C@@H]1C ZINC000948103766 661951508 /nfs/dbraw/zinc/95/15/08/661951508.db2.gz HQBNJMYHXUSLBY-RDJZCZTQSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000948405553 661973556 /nfs/dbraw/zinc/97/35/56/661973556.db2.gz VJRDKVBIELFTIT-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000948473763 661977501 /nfs/dbraw/zinc/97/75/01/661977501.db2.gz KTZFMAFMHWJOSH-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000948638451 661987774 /nfs/dbraw/zinc/98/77/74/661987774.db2.gz ADUAKTUFPOZCHR-RDGPPVDQSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C)cc2Cl)CC1 ZINC000948793569 661998462 /nfs/dbraw/zinc/99/84/62/661998462.db2.gz XMPZSCABQGTSJU-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)c1[nH]ccc1C ZINC000948912407 662007445 /nfs/dbraw/zinc/00/74/45/662007445.db2.gz FTFWMKDJIAHISC-GOSISDBHSA-N 0 3 323.440 3.228 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3c(cccc3C)o2)CC1 ZINC001006459778 662076288 /nfs/dbraw/zinc/07/62/88/662076288.db2.gz GXCSGFYTPDSMJZ-UHFFFAOYSA-N 0 3 312.413 3.464 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(Cl)cc2F)CC1 ZINC000948599702 685331943 /nfs/dbraw/zinc/33/19/43/685331943.db2.gz XGAVHWBAIPUKSP-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C(C)(C)C1 ZINC000974953658 685339474 /nfs/dbraw/zinc/33/94/74/685339474.db2.gz IPWWKRJRHJOECW-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071490681 686668466 /nfs/dbraw/zinc/66/84/66/686668466.db2.gz PLZHIULAVMJJOB-QWHCGFSZSA-N 0 3 310.438 3.436 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)oc3ccccc32)CC[C@H]1C ZINC001071531666 686681324 /nfs/dbraw/zinc/68/13/24/686681324.db2.gz OLVDMHDRPISGPN-ZBFHGGJFSA-N 0 3 324.424 3.347 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)CC[C@@H]1C ZINC001071556328 686688113 /nfs/dbraw/zinc/68/81/13/686688113.db2.gz KXOVIAIGDXVTHI-JSGCOSHPSA-N 0 3 323.387 3.178 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@@H]1C ZINC001071561838 686688955 /nfs/dbraw/zinc/68/89/55/686688955.db2.gz WEVJTIONDNIMRZ-ZFWWWQNUSA-N 0 3 301.434 3.051 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C2CCCC2)CC[C@@H]1C ZINC001071573351 686692411 /nfs/dbraw/zinc/69/24/11/686692411.db2.gz DTTDTGYBTQTXAD-DOTOQJQBSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(C)CCCCCC2)CC[C@H]1C ZINC001071576532 686693203 /nfs/dbraw/zinc/69/32/03/686693203.db2.gz IUALDTROJJDBDG-IAGOWNOFSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@H]1C ZINC001071662642 686715739 /nfs/dbraw/zinc/71/57/39/686715739.db2.gz FGMXLDHFPAMQFD-WBVHZDCISA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)cc2)CC[C@@H]1C ZINC001071662592 686716046 /nfs/dbraw/zinc/71/60/46/686716046.db2.gz DEAQRQHPZJGEFJ-FUHWJXTLSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2nccc3ccccc32)CC[C@H]1C ZINC001071776634 686748423 /nfs/dbraw/zinc/74/84/23/686748423.db2.gz WLWHMIIUCXEFOU-WBVHZDCISA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(F)ccc2F)CC[C@@H]1C ZINC001071776218 686748685 /nfs/dbraw/zinc/74/86/85/686748685.db2.gz OIHRKLDDKXYCRD-XJKSGUPXSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cc(C)ccc2C)CC[C@@H]1C ZINC001071795732 686756560 /nfs/dbraw/zinc/75/65/60/686756560.db2.gz MOLBEIXIOKGDLP-FUHWJXTLSA-N 0 3 300.446 3.001 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cc(C)ccc2C)CC[C@@H]1C ZINC001071795734 686756736 /nfs/dbraw/zinc/75/67/36/686756736.db2.gz MOLBEIXIOKGDLP-WMZOPIPTSA-N 0 3 300.446 3.001 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2c(C)cccc2Cl)CC[C@H]1C ZINC001071799413 686757810 /nfs/dbraw/zinc/75/78/10/686757810.db2.gz IMGHRTJASVEZBF-HUUCEWRRSA-N 0 3 318.848 3.254 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3ccccc3c2)CC[C@@H]1C ZINC001071846315 686769258 /nfs/dbraw/zinc/76/92/58/686769258.db2.gz ABJSWEHIUIUVJK-MAUKXSAKSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)CC[C@H]1C ZINC001071852271 686771943 /nfs/dbraw/zinc/77/19/43/686771943.db2.gz XXGDHUYEEKPGLZ-PBHICJAKSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2oc(C3CC3)nc2C)CC[C@H]1C ZINC001071883684 686780144 /nfs/dbraw/zinc/78/01/44/686780144.db2.gz PJALPNSKFGFGGE-IUODEOHRSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2oc(C(C)C)nc2C)CC[C@H]1C ZINC001071883468 686780302 /nfs/dbraw/zinc/78/03/02/686780302.db2.gz LTLGOAKRTVMLFC-HIFRSBDPSA-N 0 3 319.449 3.265 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3ccncc3c2)CC[C@@H]1C ZINC001071963346 686798219 /nfs/dbraw/zinc/79/82/19/686798219.db2.gz FTLVRRUUOOHXCJ-KXBFYZLASA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)CCC=C3)CC[C@@H]1C ZINC001072003576 686812162 /nfs/dbraw/zinc/81/21/62/686812162.db2.gz VXKNFNYSECGVOM-OXJNMPFZSA-N 0 3 322.452 3.252 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001072015565 686819709 /nfs/dbraw/zinc/81/97/09/686819709.db2.gz FGQITMNDHKTWCW-UONOGXRCSA-N 0 3 306.837 3.499 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc3ccccc3c2)CC[C@H]1C ZINC001072019589 686826749 /nfs/dbraw/zinc/82/67/49/686826749.db2.gz LPMKAVVXCWNBSS-OXQOHEQNSA-N 0 3 320.436 3.446 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)CC[C@H]1C ZINC001072033612 686834004 /nfs/dbraw/zinc/83/40/04/686834004.db2.gz OIUZXEBTKHZQRX-CJNGLKHVSA-N 0 3 306.837 3.038 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(F)cc(F)c2)CC[C@@H]1C ZINC001072051043 686846918 /nfs/dbraw/zinc/84/69/18/686846918.db2.gz FGESMDVFJNPWMO-BLLLJJGKSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccccc2Cl)CC[C@H]1C ZINC001072052354 686847480 /nfs/dbraw/zinc/84/74/80/686847480.db2.gz MDPBJKKOJINKOX-GDBMZVCRSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccccc2Cl)CC[C@@H]1C ZINC001072052417 686847603 /nfs/dbraw/zinc/84/76/03/686847603.db2.gz MQYPIXAUVWFMSM-DZGCQCFKSA-N 0 3 306.837 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc3ccccc32)CC[C@H]1C ZINC001072092786 686861057 /nfs/dbraw/zinc/86/10/57/686861057.db2.gz XIPHOVPKOVOORZ-WBVHZDCISA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)CC[C@@H]1C ZINC001072110313 686871368 /nfs/dbraw/zinc/87/13/68/686871368.db2.gz WBZMNWHSZAWOFE-MVYVIFSASA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC[C@H]1C ZINC001072120133 686875665 /nfs/dbraw/zinc/87/56/65/686875665.db2.gz PALLVWFBRHNUOT-HUUCEWRRSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3ccccc3C(C)(C)C)C2)C1 ZINC001072839782 686968439 /nfs/dbraw/zinc/96/84/39/686968439.db2.gz POJPKIAXLBNAFV-UHFFFAOYSA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccccc3F)C2)C1 ZINC001073062494 687007336 /nfs/dbraw/zinc/00/73/36/687007336.db2.gz COLDCOJQYJSRJG-OAHLLOKOSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cccc(-c4ccoc4)c3)C2)C1 ZINC001073108922 687013653 /nfs/dbraw/zinc/01/36/53/687013653.db2.gz OHAIMBIEZHDEGH-UHFFFAOYSA-N 0 3 322.408 3.281 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC001073127503 687015420 /nfs/dbraw/zinc/01/54/20/687015420.db2.gz DDGAEBROIFPALV-INIZCTEOSA-N 0 3 304.478 3.313 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3ccccc3C3CCC3)C2)C1 ZINC001073156081 687020978 /nfs/dbraw/zinc/02/09/78/687020978.db2.gz FLDRTSJJWYEUJY-UHFFFAOYSA-N 0 3 322.452 3.125 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)c3cccc(Cl)c3)C2)C1 ZINC001073447350 687194455 /nfs/dbraw/zinc/19/44/55/687194455.db2.gz OXBSUGLAXFVYKU-AWEZNQCLSA-N 0 3 318.848 3.164 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3c(CC)oc4ccccc43)C2)C1 ZINC001073461571 687197884 /nfs/dbraw/zinc/19/78/84/687197884.db2.gz FYJSVZOYUBQREO-UHFFFAOYSA-N 0 3 324.424 3.329 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC001073474043 687202716 /nfs/dbraw/zinc/20/27/16/687202716.db2.gz USZGZJHOORUESO-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3CCCCC3(C)C)C2)C1 ZINC001073495801 687206885 /nfs/dbraw/zinc/20/68/85/687206885.db2.gz UKBXWQMIVWKGIQ-MRXNPFEDSA-N 0 3 304.478 3.313 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(C)(F)F)cc3)C2)C1 ZINC001073501848 687208105 /nfs/dbraw/zinc/20/81/05/687208105.db2.gz VVILFQWBIFTWDU-UHFFFAOYSA-N 0 3 320.383 3.132 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)[C@@H]2C1 ZINC001076066523 687473347 /nfs/dbraw/zinc/47/33/47/687473347.db2.gz DNFOXHNXBRMBBB-XFIJJGBISA-N 0 3 324.468 3.073 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3cc(C)oc3C)[C@@H]2C1 ZINC001076367180 687514430 /nfs/dbraw/zinc/51/44/30/687514430.db2.gz XEUWGAPRRYOTHQ-UWWQBHOKSA-N 0 3 316.445 3.109 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001076485666 687528565 /nfs/dbraw/zinc/52/85/65/687528565.db2.gz KVCOAYJEWGUWFF-GOEBONIOSA-N 0 3 304.821 3.062 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4ccccc43)[C@@H]2C1 ZINC001076526494 687533604 /nfs/dbraw/zinc/53/36/04/687533604.db2.gz LEJXNBSWLDJILW-QFBILLFUSA-N 0 3 306.409 3.172 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076643845 687546250 /nfs/dbraw/zinc/54/62/50/687546250.db2.gz RTNSMDPLVJUPEL-YESZJQIVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)s2)C12CCC2 ZINC001078534205 687678082 /nfs/dbraw/zinc/67/80/82/687678082.db2.gz LINHSPIAYDBKPT-KBPBESRZSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2)C12CCC2 ZINC001078538825 687678826 /nfs/dbraw/zinc/67/88/26/687678826.db2.gz JDRYQJOVMKFVBB-GJZGRUSLSA-N 0 3 304.821 3.070 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2C)C12CCC2 ZINC001078541643 687679595 /nfs/dbraw/zinc/67/95/95/687679595.db2.gz TZEONEZUEJLGFB-JKSUJKDBSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(C)CC(=C)C2)C12CCC2 ZINC001078720141 687713313 /nfs/dbraw/zinc/71/33/13/687713313.db2.gz GVYKPVUCNWMYHJ-ZIAGYGMSSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001080116365 687921450 /nfs/dbraw/zinc/92/14/50/687921450.db2.gz QLRMTLAVEDPEJR-CZUORRHYSA-N 0 3 322.399 3.179 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc3ccccc3s2)C1 ZINC001080117336 687921476 /nfs/dbraw/zinc/92/14/76/687921476.db2.gz IGEULEAVDHQRMO-CZUORRHYSA-N 0 3 314.454 3.066 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001080253757 687936085 /nfs/dbraw/zinc/93/60/85/687936085.db2.gz QUNGHLRLTBFZLV-RHSMWYFYSA-N 0 3 318.848 3.030 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001080378721 687965697 /nfs/dbraw/zinc/96/56/97/687965697.db2.gz UVSHJRBJQXXICT-CKEIUWERSA-N 0 3 320.864 3.456 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001080508577 687989195 /nfs/dbraw/zinc/98/91/95/687989195.db2.gz ATGCEIRDERRKNB-IUODEOHRSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001080626690 688004329 /nfs/dbraw/zinc/00/43/29/688004329.db2.gz YGOXZCVYVALXGD-SUYBPPKGSA-N 0 3 304.434 3.013 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001081071094 688047194 /nfs/dbraw/zinc/04/71/94/688047194.db2.gz NSVQBSRYPBHLON-CZUORRHYSA-N 0 3 322.399 3.425 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC001576623944 1191855301 /nfs/dbraw/zinc/85/53/01/1191855301.db2.gz MWFGDADFUHXJGB-MXSMSXNCSA-N 0 3 313.445 3.191 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001577430049 1191901228 /nfs/dbraw/zinc/90/12/28/1191901228.db2.gz KXOCIUQQDDSIIU-MWDXBVQZSA-N 0 3 310.482 3.138 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)OCO2 ZINC001577430075 1191901267 /nfs/dbraw/zinc/90/12/67/1191901267.db2.gz MEBHQBZGXNJLQH-CQSZACIVSA-N 0 3 306.406 3.432 20 30 DGEDHN CCC[C@H](C)CCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC001620559531 1191988287 /nfs/dbraw/zinc/98/82/87/1191988287.db2.gz WBZOSAMQIAJENV-INIZCTEOSA-N 0 3 300.450 3.292 20 30 DGEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1-c1ccncc1 ZINC001579626474 1191983342 /nfs/dbraw/zinc/98/33/42/1191983342.db2.gz RJOQGEWYFYABQE-SFHVURJKSA-N 0 3 322.412 3.407 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC001620573684 1191997140 /nfs/dbraw/zinc/99/71/40/1191997140.db2.gz SSQLRMCIDMBQJO-QWHCGFSZSA-N 0 3 324.346 3.378 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1)c1ccccn1 ZINC001580048993 1192004559 /nfs/dbraw/zinc/00/45/59/1192004559.db2.gz CJWHHNNLIZUNDR-KRWDZBQOSA-N 0 3 322.412 3.026 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1Nc1ccccc1 ZINC001580049159 1192004748 /nfs/dbraw/zinc/00/47/48/1192004748.db2.gz JZWFFUJADUYXHT-OAHLLOKOSA-N 0 3 308.385 3.390 20 30 DGEDHN N#CCN(C(=O)c1ccc2c(c1)CNC2)c1ccc(Cl)cc1 ZINC001580052765 1192004929 /nfs/dbraw/zinc/00/49/29/1192004929.db2.gz VEVORZRYCYFXRN-UHFFFAOYSA-N 0 3 311.772 3.114 20 30 DGEDHN N[C@@H](CC1CC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001580124394 1192008365 /nfs/dbraw/zinc/00/83/65/1192008365.db2.gz JRNBKUPUGLAWHU-IBGZPJMESA-N 0 3 304.393 3.152 20 30 DGEDHN C=CC[C@H](C)NCc1cccc(F)c1I ZINC001620798130 1192082405 /nfs/dbraw/zinc/08/24/05/1192082405.db2.gz VNBOIBYXJWCFGR-VIFPVBQESA-N 0 3 319.161 3.485 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001584331988 1192190298 /nfs/dbraw/zinc/19/02/98/1192190298.db2.gz XVPNDAPOLAPKDQ-JZXOWHBKSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC[C@@H]1[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)CCCC1(C)C ZINC001588564418 1192449742 /nfs/dbraw/zinc/44/97/42/1192449742.db2.gz NEKDYRZVBYIFOK-AWEZNQCLSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CC[C@@H]1[N@H+](Cc2cc(-c3nnn[n-]3)cs2)CCCC1(C)C ZINC001588564418 1192449748 /nfs/dbraw/zinc/44/97/48/1192449748.db2.gz NEKDYRZVBYIFOK-AWEZNQCLSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CC[C@@H]1[N@@H+](Cc2cc(-c3nn[n-]n3)cs2)CCCC1(C)C ZINC001588564418 1192449753 /nfs/dbraw/zinc/44/97/53/1192449753.db2.gz NEKDYRZVBYIFOK-AWEZNQCLSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CC[C@@H]1[N@H+](Cc2cc(-c3nn[n-]n3)cs2)CCCC1(C)C ZINC001588564418 1192449755 /nfs/dbraw/zinc/44/97/55/1192449755.db2.gz NEKDYRZVBYIFOK-AWEZNQCLSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588560131 1192449816 /nfs/dbraw/zinc/44/98/16/1192449816.db2.gz NPEZGGIPVFPHEI-RDJZCZTQSA-N 0 3 311.433 3.134 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588560131 1192449817 /nfs/dbraw/zinc/44/98/17/1192449817.db2.gz NPEZGGIPVFPHEI-RDJZCZTQSA-N 0 3 311.433 3.134 20 30 DGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588539591 1192449850 /nfs/dbraw/zinc/44/98/50/1192449850.db2.gz QTCORWHFTNDPAU-GHMZBOCLSA-N 0 3 305.813 3.210 20 30 DGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588539591 1192449854 /nfs/dbraw/zinc/44/98/54/1192449854.db2.gz QTCORWHFTNDPAU-GHMZBOCLSA-N 0 3 305.813 3.210 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559905 1192450414 /nfs/dbraw/zinc/45/04/14/1192450414.db2.gz LTDKGWOCNUEPKO-CJNGLKHVSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559905 1192450415 /nfs/dbraw/zinc/45/04/15/1192450415.db2.gz LTDKGWOCNUEPKO-CJNGLKHVSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CCC1([NH2+]Cc2cc(Cl)cc(-c3nnn[n-]3)c2)CCCC1 ZINC001588556813 1192450570 /nfs/dbraw/zinc/45/05/70/1192450570.db2.gz FXAAGWGCAYEUON-UHFFFAOYSA-N 0 3 317.824 3.499 20 30 DGEDHN C=CCC1([NH2+]Cc2cc(Cl)cc(-c3nn[n-]n3)c2)CCCC1 ZINC001588556813 1192450574 /nfs/dbraw/zinc/45/05/74/1192450574.db2.gz FXAAGWGCAYEUON-UHFFFAOYSA-N 0 3 317.824 3.499 20 30 DGEDHN N#Cc1cc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cs1 ZINC001620887443 1192542465 /nfs/dbraw/zinc/54/24/65/1192542465.db2.gz CTCKFCLZMDXEFK-AWEZNQCLSA-N 0 3 310.781 3.235 20 30 DGEDHN C=CCCOCCNCc1c(C)nn(-c2ccccc2C)c1C ZINC001620890891 1192557290 /nfs/dbraw/zinc/55/72/90/1192557290.db2.gz IJBXWEYHQMADBC-UHFFFAOYSA-N 0 3 313.445 3.480 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCC(F)(F)F)C1 ZINC001664663387 1197030165 /nfs/dbraw/zinc/03/01/65/1197030165.db2.gz WVNVHGDTYBWONH-CYBMUJFWSA-N 0 3 306.372 3.218 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@H](CC)C(C)C)C1 ZINC001664685333 1197034671 /nfs/dbraw/zinc/03/46/71/1197034671.db2.gz AEHCGVYHVPRDCV-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc(Cl)c2N)cc1 ZINC001620942046 1192634065 /nfs/dbraw/zinc/63/40/65/1192634065.db2.gz QYHVHZITLGAOPH-UHFFFAOYSA-N 0 3 300.789 3.224 20 30 DGEDHN C=C(C)CCNCc1cccc(F)c1I ZINC001620945746 1192641779 /nfs/dbraw/zinc/64/17/79/1192641779.db2.gz SJAXDMZSNGRYCG-UHFFFAOYSA-N 0 3 319.161 3.486 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001691022443 1176101513 /nfs/dbraw/zinc/10/15/13/1176101513.db2.gz SWLJFDGTEOYTJJ-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN CCC[C@@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001670457220 1176142081 /nfs/dbraw/zinc/14/20/81/1176142081.db2.gz RPMJGWCWIWTDNI-WBMJQRKESA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)CN(C)CC(C)(C)C ZINC001597217859 1192723077 /nfs/dbraw/zinc/72/30/77/1192723077.db2.gz FNWZGEVOUYUYQS-UHFFFAOYSA-N 0 3 306.425 3.318 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)[C@@H]1CCc2ccc(F)cc21 ZINC001691035731 1176175154 /nfs/dbraw/zinc/17/51/54/1176175154.db2.gz LOVGAECLPOSUIY-QGZVFWFLSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1cccc(Cl)n1 ZINC001671303894 1176199858 /nfs/dbraw/zinc/19/98/58/1176199858.db2.gz ULOXEYBRJGJBGL-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc(C)cc1Cl ZINC001670661136 1176205602 /nfs/dbraw/zinc/20/56/02/1176205602.db2.gz DPIZSOYAKYPKIJ-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001670682767 1176215659 /nfs/dbraw/zinc/21/56/59/1176215659.db2.gz VSDPVEYWGVKMRB-HKUYNNGSSA-N 0 3 314.473 3.487 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001754074512 1176234531 /nfs/dbraw/zinc/23/45/31/1176234531.db2.gz XELGPWXJHQKGQR-ZIAGYGMSSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC ZINC001691054873 1176280209 /nfs/dbraw/zinc/28/02/09/1176280209.db2.gz DBLFXWQVZMVJAW-KRWDZBQOSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001691069152 1176291620 /nfs/dbraw/zinc/29/16/20/1176291620.db2.gz VSPWNCDVAFKKOE-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001691068965 1176293211 /nfs/dbraw/zinc/29/32/11/1176293211.db2.gz SYSSNLDWLSHCRD-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001691072617 1176295050 /nfs/dbraw/zinc/29/50/50/1176295050.db2.gz ZYQQYCFEMNYTEK-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001691079863 1176298388 /nfs/dbraw/zinc/29/83/88/1176298388.db2.gz QDTDWISSINMUCN-AEFFLSMTSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001691084135 1176299687 /nfs/dbraw/zinc/29/96/87/1176299687.db2.gz OIXRAUGDJJSEDT-JNSHFYNHSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001691116885 1176323927 /nfs/dbraw/zinc/32/39/27/1176323927.db2.gz AOGULHZATXGVGO-ZNMIVQPWSA-N 0 3 300.874 3.296 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001691136266 1176332987 /nfs/dbraw/zinc/33/29/87/1176332987.db2.gz JLUQDUMVCLWGQW-MRXNPFEDSA-N 0 3 318.848 3.082 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001691143387 1176336215 /nfs/dbraw/zinc/33/62/15/1176336215.db2.gz PNKPLMJUWPXVTF-HNNXBMFYSA-N 0 3 318.486 3.455 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001691164449 1176349321 /nfs/dbraw/zinc/34/93/21/1176349321.db2.gz VHCQASDDADYNGI-HUBLWGQQSA-N 0 3 319.276 3.392 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C12CCC(CC1)CC2)c1ccccc1 ZINC001691800540 1176369799 /nfs/dbraw/zinc/36/97/99/1176369799.db2.gz JANXOKPZNPXOQS-BIXGBWIQSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2ccccc2n1CC)C1CC1 ZINC001691236585 1176407903 /nfs/dbraw/zinc/40/79/03/1176407903.db2.gz GYHQMQOWSODOEK-UHFFFAOYSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCN(CCNC(=O)Cc1ccc2ccccc2c1)C1CC1 ZINC001691237343 1176409654 /nfs/dbraw/zinc/40/96/54/1176409654.db2.gz XWBLQLUJIBOKRN-UHFFFAOYSA-N 0 3 308.425 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H](CC)C(C)C)C2)CC1 ZINC001691277137 1176420597 /nfs/dbraw/zinc/42/05/97/1176420597.db2.gz PSPYTKFCZVWIJD-QZTJIDSGSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cccc(C(F)F)c1 ZINC001691388359 1176459603 /nfs/dbraw/zinc/45/96/03/1176459603.db2.gz IXYKOQWPJQCUQT-INIZCTEOSA-N 0 3 322.399 3.276 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001691398392 1176464123 /nfs/dbraw/zinc/46/41/23/1176464123.db2.gz AHAMORUMAQOLJM-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC=C)CCCCC1 ZINC001691416659 1176475346 /nfs/dbraw/zinc/47/53/46/1176475346.db2.gz NZOHBTLNQVHJPR-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001691412343 1176476175 /nfs/dbraw/zinc/47/61/75/1176476175.db2.gz GJVPVBLTRSWYIG-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(C(C)(F)F)CC1)c1ccccc1 ZINC001267369724 1176623908 /nfs/dbraw/zinc/62/39/08/1176623908.db2.gz HDFUKACUWURROM-AWEZNQCLSA-N 0 3 308.372 3.055 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CCCC1CC1)C2 ZINC001754662351 1176657404 /nfs/dbraw/zinc/65/74/04/1176657404.db2.gz WPSIEEIFPDVWFD-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001755368166 1177018433 /nfs/dbraw/zinc/01/84/33/1177018433.db2.gz OCPSGXNDDWHOHQ-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001755461014 1177041378 /nfs/dbraw/zinc/04/13/78/1177041378.db2.gz UOIYQFWGMIQKSV-FFZOFVMBSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001752787273 1177081186 /nfs/dbraw/zinc/08/11/86/1177081186.db2.gz KJNSAUUSKQVMHW-CYBMUJFWSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1cccs1 ZINC001752825370 1177234041 /nfs/dbraw/zinc/23/40/41/1177234041.db2.gz QWMBRXDGSKPVBV-OAHLLOKOSA-N 0 3 306.475 3.228 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001752862778 1177355226 /nfs/dbraw/zinc/35/52/26/1177355226.db2.gz SAXCFNHWCVAFAJ-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN N#Cc1ccc(CNC2(CNC(=O)C3CCC=CCC3)CC2)cc1 ZINC001670899884 1177523357 /nfs/dbraw/zinc/52/33/57/1177523357.db2.gz FMIVRQNHQRZQGV-UHFFFAOYSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001691657567 1177597705 /nfs/dbraw/zinc/59/77/05/1177597705.db2.gz WSSBTBHQWMRQDQ-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OCC)cc1 ZINC001691674885 1177673010 /nfs/dbraw/zinc/67/30/10/1177673010.db2.gz OEJQVGGSYSVCDK-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1c(F)cccc1Cl ZINC001691675003 1177675661 /nfs/dbraw/zinc/67/56/61/1177675661.db2.gz QOTKKBCSXFQOFK-ZDUSSCGKSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(Cl)s1 ZINC001733141409 1177692374 /nfs/dbraw/zinc/69/23/74/1177692374.db2.gz VWQHQXZWXXDKNV-UHFFFAOYSA-N 0 3 307.246 3.206 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC001113664806 1177726751 /nfs/dbraw/zinc/72/67/51/1177726751.db2.gz AARQNYXTOHUKFP-IEBWSBKVSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1[nH]ccc1C ZINC001691721716 1177884797 /nfs/dbraw/zinc/88/47/97/1177884797.db2.gz NEARFOQGSPLPEC-IUODEOHRSA-N 0 3 323.868 3.296 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nc(C)cc(C)c2c1 ZINC001331032741 1178118263 /nfs/dbraw/zinc/11/82/63/1178118263.db2.gz OPFAOISVDDUCJV-AWEZNQCLSA-N 0 3 303.793 3.260 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(N(C)Cc2cnoc2C)CC1 ZINC001331053257 1178123619 /nfs/dbraw/zinc/12/36/19/1178123619.db2.gz FSMKYIYECIERQB-UHFFFAOYSA-N 0 3 319.449 3.008 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001331428393 1178211108 /nfs/dbraw/zinc/21/11/08/1178211108.db2.gz WPDZDJXEDBWDHK-ZIAGYGMSSA-N 0 3 322.399 3.266 20 30 DGEDHN CCC(CC)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001331596096 1178256899 /nfs/dbraw/zinc/25/68/99/1178256899.db2.gz AYMDADVNUHPGCG-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)/C=C\C(C)(C)C ZINC001331871527 1178295076 /nfs/dbraw/zinc/29/50/76/1178295076.db2.gz ZSXRGOYYRRGXEP-IQRYCENZSA-N 0 3 324.468 3.219 20 30 DGEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCCCCc2cccs2)C1 ZINC001332033330 1178341142 /nfs/dbraw/zinc/34/11/42/1178341142.db2.gz UNCCTFINSUXLDJ-HOTGVXAUSA-N 0 3 318.486 3.063 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CCC1(C)CC1 ZINC001332046952 1178344100 /nfs/dbraw/zinc/34/41/00/1178344100.db2.gz HWXKXNOXNQBMSW-IEBWSBKVSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCc3ccc(C)cc3)CCC[C@H]12 ZINC001332108644 1178360559 /nfs/dbraw/zinc/36/05/59/1178360559.db2.gz CGJDMIPLDLMVSP-FPOVZHCZSA-N 0 3 324.468 3.064 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC001332115762 1178361905 /nfs/dbraw/zinc/36/19/05/1178361905.db2.gz FWQVFTLZEXLFCB-SLYNCCJLSA-N 0 3 324.468 3.317 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@@H]1CC[C@@H](C)O1)C(C)C ZINC001332707230 1178477681 /nfs/dbraw/zinc/47/76/81/1178477681.db2.gz KGJJSVUYENDBEW-SJORKVTESA-N 0 3 310.482 3.079 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(C(C)C)nc1)C(C)C ZINC001332711624 1178480583 /nfs/dbraw/zinc/48/05/83/1178480583.db2.gz VCHRSFAEZNCQQS-UHFFFAOYSA-N 0 3 303.450 3.173 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001332858275 1178509023 /nfs/dbraw/zinc/50/90/23/1178509023.db2.gz RAQGVJMEKSMBNS-PBHICJAKSA-N 0 3 323.506 3.366 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2cnn(C(C)C)c2)cc1 ZINC001332886118 1178515863 /nfs/dbraw/zinc/51/58/63/1178515863.db2.gz RZCFHBPPSVBHOG-OAHLLOKOSA-N 0 3 324.428 3.125 20 30 DGEDHN CCC[C@H](NC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 ZINC001333891584 1178691855 /nfs/dbraw/zinc/69/18/55/1178691855.db2.gz VOCUKVCWHHNHMK-KGLIPLIRSA-N 0 3 300.324 3.411 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(OC)c1 ZINC001335858274 1178964888 /nfs/dbraw/zinc/96/48/88/1178964888.db2.gz WPABCROOJPOQQY-SJORKVTESA-N 0 3 302.418 3.042 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC001335971863 1178976803 /nfs/dbraw/zinc/97/68/03/1178976803.db2.gz YXINZJIDRRUKMU-INIZCTEOSA-N 0 3 306.475 3.484 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2ccccc2F)CC1 ZINC001341470993 1179013223 /nfs/dbraw/zinc/01/32/23/1179013223.db2.gz WOXMWRFGBQTIRG-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCc1c[nH]c2c1cccc2Cl ZINC001341490021 1179016160 /nfs/dbraw/zinc/01/61/60/1179016160.db2.gz WECBKNGLNCHBGV-HNNXBMFYSA-N 0 3 319.836 3.164 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001341609248 1179038354 /nfs/dbraw/zinc/03/83/54/1179038354.db2.gz HYHWPBBCGPFJST-ULQDDVLXSA-N 0 3 310.482 3.092 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC001341714231 1179051864 /nfs/dbraw/zinc/05/18/64/1179051864.db2.gz MZKSDEFMOXGSOX-STQMWFEESA-N 0 3 309.479 3.217 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001341876779 1179075874 /nfs/dbraw/zinc/07/58/74/1179075874.db2.gz QXQMVOBDQUTIQZ-HIFRSBDPSA-N 0 3 322.836 3.003 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1C1CCCC1 ZINC001341904201 1179078874 /nfs/dbraw/zinc/07/88/74/1179078874.db2.gz PZCXQVYMDAZBOV-OAHLLOKOSA-N 0 3 323.400 3.204 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1csc2ccccc21 ZINC001341949163 1179084160 /nfs/dbraw/zinc/08/41/60/1179084160.db2.gz BPDTZVHVCBCIAY-SMDDNHRTSA-N 0 3 301.415 3.100 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1c[nH]c2ccccc12 ZINC001342170459 1179113009 /nfs/dbraw/zinc/11/30/09/1179113009.db2.gz BCUVJWDLMBUWCM-OAHLLOKOSA-N 0 3 306.369 3.101 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)c1ccccn1 ZINC001342456281 1179142054 /nfs/dbraw/zinc/14/20/54/1179142054.db2.gz UHCDTOHAAAOMSL-MJGOQNOKSA-N 0 3 323.440 3.165 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CC[C@H](C4CC4)O3)nc21 ZINC001342604072 1179159494 /nfs/dbraw/zinc/15/94/94/1179159494.db2.gz NOGFVSNVEQDFCY-JJRVBVJISA-N 0 3 323.396 3.395 20 30 DGEDHN C=CC(C)(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001342709817 1179176892 /nfs/dbraw/zinc/17/68/92/1179176892.db2.gz UMFCQWQHNLEVJK-HNNXBMFYSA-N 0 3 304.409 3.119 20 30 DGEDHN N#CC(C(=O)C1CC2(CC2)C1)c1nccn1Cc1ccccc1 ZINC001342919368 1179209511 /nfs/dbraw/zinc/20/95/11/1179209511.db2.gz YZBMBRUPFSWMMO-MRXNPFEDSA-N 0 3 305.381 3.298 20 30 DGEDHN CCCCCCCOc1ccc(CN[C@@H]2COCC[C@H]2O)cc1 ZINC001621041036 1192942130 /nfs/dbraw/zinc/94/21/30/1192942130.db2.gz STCGCBTZHVYYAB-RTBURBONSA-N 0 3 321.461 3.275 20 30 DGEDHN C[C@@H](CC#N)C(=O)OC[C@@H]1CCCCN1Cc1ccccc1 ZINC001343409667 1179269098 /nfs/dbraw/zinc/26/90/98/1179269098.db2.gz USAUWDFNDMGJET-RDJZCZTQSA-N 0 3 300.402 3.134 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](CC)c1cccc(OC)c1 ZINC001343523588 1179291239 /nfs/dbraw/zinc/29/12/39/1179291239.db2.gz VYUMEJKHONALQK-HUUCEWRRSA-N 0 3 310.825 3.075 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN([C@H]3CCc4c3cccc4F)C2)nc1 ZINC001343789986 1179333383 /nfs/dbraw/zinc/33/33/83/1179333383.db2.gz LYNNQSOVKDGPPM-KDOFPFPSSA-N 0 3 323.371 3.233 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)CC(C)(C)C ZINC001343965636 1179358290 /nfs/dbraw/zinc/35/82/90/1179358290.db2.gz DLUZVIAJSKOEDD-HNNXBMFYSA-N 0 3 319.497 3.146 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1cccc(F)c1F ZINC001344865008 1179488363 /nfs/dbraw/zinc/48/83/63/1179488363.db2.gz WUKZBGUQXNUTMJ-JTQLQIEISA-N 0 3 323.730 3.161 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1cccc(F)c1F ZINC001344865019 1179488839 /nfs/dbraw/zinc/48/88/39/1179488839.db2.gz WUKZBGUQXNUTMJ-SNVBAGLBSA-N 0 3 323.730 3.161 20 30 DGEDHN Cc1cc(C)c(CC(=O)C(C#N)c2ncc(F)cc2F)s1 ZINC001344983838 1179506256 /nfs/dbraw/zinc/50/62/56/1179506256.db2.gz MZFXZQYLRICYLB-NSHDSACASA-N 0 3 306.337 3.457 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C(C1CCC1)C1CCC1 ZINC001345642015 1179585561 /nfs/dbraw/zinc/58/55/61/1179585561.db2.gz GSXQXPCCZUAOQY-GFCCVEGCSA-N 0 3 305.809 3.466 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1cccs1 ZINC001346095805 1179652875 /nfs/dbraw/zinc/65/28/75/1179652875.db2.gz JVDTXFOKGWAUNS-LLVKDONJSA-N 0 3 307.806 3.334 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(C(F)(F)F)s1 ZINC001346095889 1179653465 /nfs/dbraw/zinc/65/34/65/1179653465.db2.gz LDADIIVWFLPRFP-MRVPVSSYSA-N 0 3 313.304 3.473 20 30 DGEDHN N#CC(C(=O)C1CC(F)(F)C1)c1nc2c(cccc2Cl)[nH]1 ZINC001346152296 1179662805 /nfs/dbraw/zinc/66/28/05/1179662805.db2.gz WJQIQXJCQCXECN-MRVPVSSYSA-N 0 3 309.703 3.438 20 30 DGEDHN CC[C@@H]1C[C@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001347992224 1179824513 /nfs/dbraw/zinc/82/45/13/1179824513.db2.gz DEFHBTLGTMODMM-RAIGVLPGSA-N 0 3 308.328 3.131 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)CSC)CC1 ZINC001479991430 1179941013 /nfs/dbraw/zinc/94/10/13/1179941013.db2.gz JJLZTLDLEFLPAA-HNNXBMFYSA-N 0 3 312.523 3.265 20 30 DGEDHN C#CCCCC[NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602711565 1192995190 /nfs/dbraw/zinc/99/51/90/1192995190.db2.gz XMEHIUFGIVQJFL-KRWDZBQOSA-N 0 3 309.417 3.027 20 30 DGEDHN C#CCCCC[NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602711565 1192995192 /nfs/dbraw/zinc/99/51/92/1192995192.db2.gz XMEHIUFGIVQJFL-KRWDZBQOSA-N 0 3 309.417 3.027 20 30 DGEDHN C=CCCCCCC[NH2+][C@H](C)c1cc(-c2nnn[n-]2)ccn1 ZINC001602838122 1192999399 /nfs/dbraw/zinc/99/93/99/1192999399.db2.gz QGJDPBIELJJUQL-CYBMUJFWSA-N 0 3 300.410 3.049 20 30 DGEDHN C=CCCCCCC[NH2+][C@H](C)c1cc(-c2nn[n-]n2)ccn1 ZINC001602838122 1192999402 /nfs/dbraw/zinc/99/94/02/1192999402.db2.gz QGJDPBIELJJUQL-CYBMUJFWSA-N 0 3 300.410 3.049 20 30 DGEDHN N#Cc1cncc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC001351174814 1180182888 /nfs/dbraw/zinc/18/28/88/1180182888.db2.gz AEBCFPVPOIYEBL-BEFAXECRSA-N 0 3 307.397 3.211 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCCCCCC)[C@H](O)C1 ZINC001100087057 1180368295 /nfs/dbraw/zinc/36/82/95/1180368295.db2.gz FJQRHXBIUXGJCI-ZWKOTPCHSA-N 0 3 324.509 3.255 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001100087054 1180368630 /nfs/dbraw/zinc/36/86/30/1180368630.db2.gz FJQRHXBIUXGJCI-MSOLQXFVSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(Cl)c1 ZINC001480323896 1180369215 /nfs/dbraw/zinc/36/92/15/1180369215.db2.gz MLUUJTALZAYGGL-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603662793 1193024903 /nfs/dbraw/zinc/02/49/03/1193024903.db2.gz QTMGHQZPWJZWKR-AWEZNQCLSA-N 0 3 324.432 3.381 20 30 DGEDHN C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603662793 1193024905 /nfs/dbraw/zinc/02/49/05/1193024905.db2.gz QTMGHQZPWJZWKR-AWEZNQCLSA-N 0 3 324.432 3.381 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2cc(C)ccc2F)C1 ZINC001100176964 1180423075 /nfs/dbraw/zinc/42/30/75/1180423075.db2.gz OLAOVZSWKJEJEG-UHFFFAOYSA-N 0 3 304.409 3.085 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC001353460500 1180563510 /nfs/dbraw/zinc/56/35/10/1180563510.db2.gz WDJXYZHYNFLKIG-INIZCTEOSA-N 0 3 301.434 3.217 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cc(C)ccc2F)CCC1 ZINC001480533540 1180612720 /nfs/dbraw/zinc/61/27/20/1180612720.db2.gz WFAMINJRUVWRJM-HNNXBMFYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100364623 1180617766 /nfs/dbraw/zinc/61/77/66/1180617766.db2.gz MXZIZMCBIKGGHA-UHFFFAOYSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H]1CCCc2nc(CC)sc21 ZINC001353747938 1180640092 /nfs/dbraw/zinc/64/00/92/1180640092.db2.gz ARKPQIYLXQSDFF-JSGCOSHPSA-N 0 3 321.490 3.225 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccccc2CC)C1 ZINC001100438993 1180689693 /nfs/dbraw/zinc/68/96/93/1180689693.db2.gz JMUMLAGOQKDTDT-UHFFFAOYSA-N 0 3 320.864 3.028 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCc1ccccc1)CCN(C)C ZINC001354038090 1180709408 /nfs/dbraw/zinc/70/94/08/1180709408.db2.gz IAXXYVSHYCRUII-QGZVFWFLSA-N 0 3 302.462 3.222 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001100714526 1180959045 /nfs/dbraw/zinc/95/90/45/1180959045.db2.gz SIWTXBLYIIBOIX-HPUBIQBYSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001100734171 1180983821 /nfs/dbraw/zinc/98/38/21/1180983821.db2.gz PJTNHGXEBBOFKN-LMWSTFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001355270756 1181024279 /nfs/dbraw/zinc/02/42/79/1181024279.db2.gz WUDZGHVDYRLPLH-NHYWBVRUSA-N 0 3 322.836 3.136 20 30 DGEDHN CC[C@@H](C)C[C@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001355379965 1181047673 /nfs/dbraw/zinc/04/76/73/1181047673.db2.gz RYQSMFPYMVVBOS-KDOFPFPSSA-N 0 3 313.445 3.028 20 30 DGEDHN C[C@H]1CC(NN=Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001356021970 1181127272 /nfs/dbraw/zinc/12/72/72/1181127272.db2.gz BSSYGCBPWQHBJI-GJZGRUSLSA-N 0 3 301.434 3.166 20 30 DGEDHN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@H](N)CCCCC#N ZINC001356293204 1181170481 /nfs/dbraw/zinc/17/04/81/1181170481.db2.gz BWYCZAATUOKXKW-SJORKVTESA-N 0 3 317.433 3.016 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 ZINC001356293515 1181170641 /nfs/dbraw/zinc/17/06/41/1181170641.db2.gz JEOKPQUBZGJNMM-IRXDYDNUSA-N 0 3 304.434 3.288 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC001357504115 1181402627 /nfs/dbraw/zinc/40/26/27/1181402627.db2.gz XTGKIGIWJNDBPC-ROUUACIJSA-N 0 3 324.509 3.482 20 30 DGEDHN N#C[C@H]1CC[C@@H](OC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC001357661253 1181416935 /nfs/dbraw/zinc/41/69/35/1181416935.db2.gz FAVFYUPVPGVSQD-FUHWJXTLSA-N 0 3 312.413 3.134 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC(C)(C)C[C@@H]1C ZINC001473555122 1181543572 /nfs/dbraw/zinc/54/35/72/1181543572.db2.gz VNSDJLNAIUEJGZ-IOSXPMGOSA-N 0 3 319.493 3.426 20 30 DGEDHN C#C[C@@H](N[C@@H]1CCCN(CC)C1)c1ccc(Br)cc1 ZINC001474545737 1181590952 /nfs/dbraw/zinc/59/09/52/1181590952.db2.gz IAXBVAHNNSXVOQ-HZPDHXFCSA-N 0 3 321.262 3.197 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc2ccccc2c1 ZINC001448875807 1182217507 /nfs/dbraw/zinc/21/75/07/1182217507.db2.gz OMSXHKSGPVFISZ-UHFFFAOYSA-N 0 3 310.441 3.349 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001448872440 1182217721 /nfs/dbraw/zinc/21/77/21/1182217721.db2.gz AAEQWDMRTDHWHR-NVXWUHKLSA-N 0 3 318.461 3.302 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001450792329 1182258287 /nfs/dbraw/zinc/25/82/87/1182258287.db2.gz MIKOMXINZFGBCU-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CC(C)(C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001456990804 1182438358 /nfs/dbraw/zinc/43/83/58/1182438358.db2.gz ZEUCHZLDXFAHPG-OAHLLOKOSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC001459479807 1182589354 /nfs/dbraw/zinc/58/93/54/1182589354.db2.gz HEFVKTRSWXHRAK-VQIMIIECSA-N 0 3 319.493 3.498 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CCCCCCCC3)C2=O)cc1 ZINC001460110019 1182652799 /nfs/dbraw/zinc/65/27/99/1182652799.db2.gz FYFBAJFZJDCOJG-SFHVURJKSA-N 0 3 311.429 3.320 20 30 DGEDHN C=CC[C@H]1CCCN([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001460362679 1182682956 /nfs/dbraw/zinc/68/29/56/1182682956.db2.gz NSZDQXHDLBYXGE-WMLDXEAASA-N 0 3 302.393 3.219 20 30 DGEDHN CN(C[C@H]1CCCCN1CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC001460703521 1182711332 /nfs/dbraw/zinc/71/13/32/1182711332.db2.gz GHTYOPAQXKJXQC-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN CC(C)(C)SCCCN1CCc2c(C#N)c(N)sc2C1 ZINC001460893265 1182737059 /nfs/dbraw/zinc/73/70/59/1182737059.db2.gz CRKSUKNCPGNGFE-UHFFFAOYSA-N 0 3 309.504 3.482 20 30 DGEDHN C#CC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCCC1 ZINC001653015105 1195679559 /nfs/dbraw/zinc/67/95/59/1195679559.db2.gz SUTCFIILJGVDKP-UHFFFAOYSA-N 0 3 308.219 3.499 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2COc3c(F)cc(F)cc3C2)cc1F ZINC001462654875 1182980673 /nfs/dbraw/zinc/98/06/73/1182980673.db2.gz NIMIQRIDYBRBTL-AWEZNQCLSA-N 0 3 318.298 3.069 20 30 DGEDHN C=CCN(C)CCN(CC)c1cc(C(F)F)nc(SC)n1 ZINC001472817955 1183685648 /nfs/dbraw/zinc/68/56/48/1183685648.db2.gz PHOWLVWKDIOPDH-UHFFFAOYSA-N 0 3 316.421 3.080 20 30 DGEDHN C=CCNc1nnc(SC[C@H]2CCCCN2C(C)C)s1 ZINC001472965826 1183703720 /nfs/dbraw/zinc/70/37/20/1183703720.db2.gz NVVLHIXGSRCUQD-GFCCVEGCSA-N 0 3 312.508 3.491 20 30 DGEDHN CCCCO[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC001473260083 1183735925 /nfs/dbraw/zinc/73/59/25/1183735925.db2.gz PYUNLDCQRQWEGS-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN C#CC(C)(C)N(C)Cc1cc2c(c(Br)c1)OCO2 ZINC001473379343 1183750240 /nfs/dbraw/zinc/75/02/40/1183750240.db2.gz WUNBEGIAKFRRSI-UHFFFAOYSA-N 0 3 310.191 3.021 20 30 DGEDHN CC1(C)[C@H](NCc2cc(C#N)ccn2)C[C@H]1OCc1ccccc1 ZINC001473483768 1183762207 /nfs/dbraw/zinc/76/22/07/1183762207.db2.gz PEMMIEAADMKHRH-RTBURBONSA-N 0 3 321.424 3.427 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001473655632 1183786947 /nfs/dbraw/zinc/78/69/47/1183786947.db2.gz KAEMIACZLWMNLQ-GFCCVEGCSA-N 0 3 300.830 3.261 20 30 DGEDHN COc1cc(C#N)ccc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001473789640 1183802529 /nfs/dbraw/zinc/80/25/29/1183802529.db2.gz OZFHXETZUGDORO-AZUAARDMSA-N 0 3 304.393 3.340 20 30 DGEDHN C#C[C@@H](C)N(C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001474482143 1183929003 /nfs/dbraw/zinc/92/90/03/1183929003.db2.gz QYUBAWUNUAPZON-CQSZACIVSA-N 0 3 302.418 3.165 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001479230053 1184212712 /nfs/dbraw/zinc/21/27/12/1184212712.db2.gz DOCTUWYDNJAQSP-ZJPYXAASSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNCc1cnc(C)o1 ZINC001479511349 1184262123 /nfs/dbraw/zinc/26/21/23/1184262123.db2.gz LEOVMBIULHQCCM-RHSMWYFYSA-N 0 3 319.449 3.056 20 30 DGEDHN CC(=O)N1CCC[C@@H](C)[C@H]1CCCNCc1ccccc1C#N ZINC001479589733 1184272749 /nfs/dbraw/zinc/27/27/49/1184272749.db2.gz PJGKXQSORJBPDZ-DNVCBOLYSA-N 0 3 313.445 3.075 20 30 DGEDHN C/C=C(\C)C(=O)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001479682669 1184287611 /nfs/dbraw/zinc/28/76/11/1184287611.db2.gz JESISCLILYQXEW-VUGVYLIFSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)[C@H]1C ZINC001479720477 1184300002 /nfs/dbraw/zinc/30/00/02/1184300002.db2.gz BDLFVODHASDXFM-CPUCHLNUSA-N 0 3 320.864 3.284 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc[nH]c1CC ZINC001479822028 1184337539 /nfs/dbraw/zinc/33/75/39/1184337539.db2.gz MBPNWIAMHFQERD-CZUORRHYSA-N 0 3 323.868 3.302 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)CCC1CC1 ZINC001479841221 1184346517 /nfs/dbraw/zinc/34/65/17/1184346517.db2.gz PIOAZVSKIRTPPG-UHFFFAOYSA-N 0 3 312.457 3.057 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)c(C)cn2)CC1 ZINC001479993281 1184405762 /nfs/dbraw/zinc/40/57/62/1184405762.db2.gz MUHDVLAORCQZRN-UHFFFAOYSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccs1 ZINC001480101733 1184435822 /nfs/dbraw/zinc/43/58/22/1184435822.db2.gz IZRXGARTLUTPFD-IYBDPMFKSA-N 0 3 318.486 3.322 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001480119926 1184439042 /nfs/dbraw/zinc/43/90/42/1184439042.db2.gz UDUBGBKZCXAGRM-OALUTQOASA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001480134918 1184443273 /nfs/dbraw/zinc/44/32/73/1184443273.db2.gz LQGJFKOVGWCQGP-QAQDUYKDSA-N 0 3 316.420 3.065 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001480156280 1184447572 /nfs/dbraw/zinc/44/75/72/1184447572.db2.gz KJCWKPHMBYAVIO-ZQIUZPCESA-N 0 3 321.852 3.074 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001480221095 1184462987 /nfs/dbraw/zinc/46/29/87/1184462987.db2.gz XELROJYBTZVWGG-BHYGNILZSA-N 0 3 318.436 3.473 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001480269078 1184477164 /nfs/dbraw/zinc/47/71/64/1184477164.db2.gz XDMXKDVPGPGSAN-QZTJIDSGSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001480325574 1184491829 /nfs/dbraw/zinc/49/18/29/1184491829.db2.gz SSCJXPJIQOYIJZ-SFHVURJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001480346049 1184500829 /nfs/dbraw/zinc/50/08/29/1184500829.db2.gz QCVAYKZAHXKLCV-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCC1(C(=O)N2CCCC[C@H]2CNC[C@H](F)CC)CCC1 ZINC001480358762 1184504150 /nfs/dbraw/zinc/50/41/50/1184504150.db2.gz FHIMNSMUOQGJCB-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CC1(CC(=O)N2CCCC[C@@H]2CNCCF)CCCCC1 ZINC001480363106 1184506059 /nfs/dbraw/zinc/50/60/59/1184506059.db2.gz NJARYDYTVJVHGT-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001480519125 1184540636 /nfs/dbraw/zinc/54/06/36/1184540636.db2.gz VCLDCVWYQNKQBG-KGLIPLIRSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001480660085 1184568627 /nfs/dbraw/zinc/56/86/27/1184568627.db2.gz WKWKQNWQEBBFQR-ALFJJAPYSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(C)C[NH2+]CCc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001480707063 1184582775 /nfs/dbraw/zinc/58/27/75/1184582775.db2.gz BUQPSDDKVFCAGI-UHFFFAOYSA-N 0 3 324.424 3.030 20 30 DGEDHN CC/C(C)=C\C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001480763762 1184601905 /nfs/dbraw/zinc/60/19/05/1184601905.db2.gz XMCJIESJMGOXHR-RNQWEJQRSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C[C@H](C(=O)NCC[C@H](C)NCC(=C)Cl)c1ccccc1 ZINC001480814028 1184615242 /nfs/dbraw/zinc/61/52/42/1184615242.db2.gz ROGHZXIXPCHTQD-HOCLYGCPSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cncc2ccccc21 ZINC001480814089 1184615264 /nfs/dbraw/zinc/61/52/64/1184615264.db2.gz SVSRZDSLCUAKFV-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(C)CCC(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001493373767 1184696371 /nfs/dbraw/zinc/69/63/71/1184696371.db2.gz MXPIBFWQAPIEAG-UHFFFAOYSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCN(CCNC(=O)CCc1ccc(Cl)cc1)C1CC1 ZINC001493393031 1184700749 /nfs/dbraw/zinc/70/07/49/1184700749.db2.gz JTMZFIITQCLEHQ-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC001493441331 1184707339 /nfs/dbraw/zinc/70/73/39/1184707339.db2.gz VHLJIDYMCQKSMS-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(C)(F)F)c1ccc(C(C)C)cc1 ZINC001493877738 1184755827 /nfs/dbraw/zinc/75/58/27/1184755827.db2.gz BSXPZQSDPFSIJC-HNNXBMFYSA-N 0 3 310.388 3.398 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccc1 ZINC001493895053 1184760690 /nfs/dbraw/zinc/76/06/90/1184760690.db2.gz CIOBWRPNPAKRKK-RTBURBONSA-N 0 3 324.399 3.099 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1CC(C)C)c1ccccc1 ZINC001493900289 1184762227 /nfs/dbraw/zinc/76/22/27/1184762227.db2.gz WBKMYCVOMVYPAN-KZNAEPCWSA-N 0 3 300.446 3.302 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001494641434 1184898558 /nfs/dbraw/zinc/89/85/58/1184898558.db2.gz PIECNXSVBMOEMN-KCXAZCMYSA-N 0 3 302.418 3.150 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCOC1 ZINC001494651168 1184900119 /nfs/dbraw/zinc/90/01/19/1184900119.db2.gz UPNCDLHPCCGXIZ-SQNIBIBYSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCC)c1ccccc1 ZINC001494686372 1184904837 /nfs/dbraw/zinc/90/48/37/1184904837.db2.gz UMDYFAZUZDWYJH-FHWLQOOXSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccccc2)C1 ZINC001494866696 1184949022 /nfs/dbraw/zinc/94/90/22/1184949022.db2.gz BKGDYECAIZPSJM-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001494954554 1184970356 /nfs/dbraw/zinc/97/03/56/1184970356.db2.gz XNYFDUUPYAOXSW-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001495344042 1185035525 /nfs/dbraw/zinc/03/55/25/1185035525.db2.gz DIQWZMXFXKRCQJ-ZFWWWQNUSA-N 0 3 300.874 3.393 20 30 DGEDHN CC(C)(C)/C=C\C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001495549295 1185072602 /nfs/dbraw/zinc/07/26/02/1185072602.db2.gz WGXZXXVOYBPNAK-FNDLEWIFSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001495734841 1185096629 /nfs/dbraw/zinc/09/66/29/1185096629.db2.gz ROZJNAMJWBDJMM-KXBFYZLASA-N 0 3 313.445 3.002 20 30 DGEDHN CC[C@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001496005551 1185123992 /nfs/dbraw/zinc/12/39/92/1185123992.db2.gz WXRHHWHLCVHMJZ-LSDHHAIUSA-N 0 3 320.864 3.174 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CCC1(C)CC1 ZINC001496194182 1185146845 /nfs/dbraw/zinc/14/68/45/1185146845.db2.gz IMBVQRMBWDXCRM-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C/C(=C/C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C)C1CC1 ZINC001496530436 1185208689 /nfs/dbraw/zinc/20/86/89/1185208689.db2.gz IKQSQIBVKWZHKC-NMIWIPSGSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(-c2ccccc2)ccn1 ZINC001496806493 1185250612 /nfs/dbraw/zinc/25/06/12/1185250612.db2.gz FWGPVAKBOPHOTD-UHFFFAOYSA-N 0 3 323.440 3.329 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@H]2CCCCO2)CCCC1 ZINC001496848218 1185258058 /nfs/dbraw/zinc/25/80/58/1185258058.db2.gz ZWILZBLPGOXUNS-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001496864055 1185260948 /nfs/dbraw/zinc/26/09/48/1185260948.db2.gz SBXYFABNFSAPFG-QNLCYANDSA-N 0 3 322.880 3.245 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCNCc1nc(C)c(C)s1 ZINC001497195481 1185294878 /nfs/dbraw/zinc/29/48/78/1185294878.db2.gz KLZMHGBOGCRRQA-LBPRGKRZSA-N 0 3 309.479 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001497230531 1185299962 /nfs/dbraw/zinc/29/99/62/1185299962.db2.gz YGUGESMSAZBOGB-PBHICJAKSA-N 0 3 320.864 3.417 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001497408374 1185328212 /nfs/dbraw/zinc/32/82/12/1185328212.db2.gz UDSOSYKSSQZIHN-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001497404978 1185328225 /nfs/dbraw/zinc/32/82/25/1185328225.db2.gz RJVJTUJOTJCRJD-ABHNRTSZSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001497461068 1185337927 /nfs/dbraw/zinc/33/79/27/1185337927.db2.gz UQMCTQYFEYQWJR-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001497473290 1185338816 /nfs/dbraw/zinc/33/88/16/1185338816.db2.gz OESWGMNSMNUXCS-CVEARBPZSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001497590165 1185359534 /nfs/dbraw/zinc/35/95/34/1185359534.db2.gz NVHIFTFATJIJDX-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2csc(C)c2)C1 ZINC001497675210 1185374054 /nfs/dbraw/zinc/37/40/54/1185374054.db2.gz ZSCNJYGLYGLXBK-PLNGDYQASA-N 0 3 304.459 3.175 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001497684939 1185375415 /nfs/dbraw/zinc/37/54/15/1185375415.db2.gz HKWIEJTZFKXQCW-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN CC1=CC[C@@](C)(C(=O)N[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001497991819 1185420285 /nfs/dbraw/zinc/42/02/85/1185420285.db2.gz YNIMVZAGOGEJQX-WIYYLYMNSA-N 0 3 324.468 3.269 20 30 DGEDHN CC1=C(C)C[C@@H](C(=O)N[C@@H](C)CNCC#Cc2ccccc2)CC1 ZINC001498049254 1185429799 /nfs/dbraw/zinc/42/97/99/1185429799.db2.gz KMBVSPOVVOPOLT-ICSRJNTNSA-N 0 3 324.468 3.269 20 30 DGEDHN CC[C@H](CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001498166559 1185443510 /nfs/dbraw/zinc/44/35/10/1185443510.db2.gz HIFQGOYODHHTCX-UONOGXRCSA-N 0 3 321.490 3.286 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)Cc1ccccc1C(C)C ZINC001498277480 1185463146 /nfs/dbraw/zinc/46/31/46/1185463146.db2.gz SRICQKFMNMEUNC-QGZVFWFLSA-N 0 3 314.473 3.406 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001498374233 1185481571 /nfs/dbraw/zinc/48/15/71/1185481571.db2.gz DDUWRKRCDQMRNT-HNAYVOBHSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)Cc1ccccc1Cl ZINC001498399609 1185488768 /nfs/dbraw/zinc/48/87/68/1185488768.db2.gz MYWASRBAKMKXLX-KGLIPLIRSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001498426190 1185492964 /nfs/dbraw/zinc/49/29/64/1185492964.db2.gz GVUKOLNEVGDVDG-WDEREUQCSA-N 0 3 300.855 3.128 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001498426189 1185493078 /nfs/dbraw/zinc/49/30/78/1185493078.db2.gz GVUKOLNEVGDVDG-QWRGUYRKSA-N 0 3 300.855 3.128 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1cnc(C)s1)C1CC1 ZINC001498817127 1185551589 /nfs/dbraw/zinc/55/15/89/1185551589.db2.gz KFAQCFOUVNQCFW-DOTOQJQBSA-N 0 3 321.490 3.038 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001498920424 1185570189 /nfs/dbraw/zinc/57/01/89/1185570189.db2.gz LOYJREFEFSDTEU-KRWDZBQOSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001499013418 1185592952 /nfs/dbraw/zinc/59/29/52/1185592952.db2.gz SQZQVBQXZWQORD-JKSUJKDBSA-N 0 3 315.461 3.364 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001499045483 1185597978 /nfs/dbraw/zinc/59/79/78/1185597978.db2.gz WUCYGWMVIFYELA-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001499074355 1185605750 /nfs/dbraw/zinc/60/57/50/1185605750.db2.gz RQDBXKZMRDUHAY-RBUKOAKNSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001499081703 1185606605 /nfs/dbraw/zinc/60/66/05/1185606605.db2.gz FWHBDSSWVDQZRA-CABCVRRESA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001499082342 1185606867 /nfs/dbraw/zinc/60/68/67/1185606867.db2.gz SYXXFFUFGVFLGT-MAUKXSAKSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)Cc1ccccc1 ZINC001499094936 1185610343 /nfs/dbraw/zinc/61/03/43/1185610343.db2.gz GPIHBVORHRLPBT-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001499237562 1185629140 /nfs/dbraw/zinc/62/91/40/1185629140.db2.gz DFDTVMZXSSPFMQ-CQSZACIVSA-N 0 3 304.409 3.481 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001500213759 1185759648 /nfs/dbraw/zinc/75/96/48/1185759648.db2.gz YKZWRGKQIFMYPN-LJQANCHMSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001500518364 1185812854 /nfs/dbraw/zinc/81/28/54/1185812854.db2.gz ANNURBYGSYRZQZ-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001500515506 1185813729 /nfs/dbraw/zinc/81/37/29/1185813729.db2.gz RWLYNUQKRJMXBI-QFBILLFUSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2sc(C)cc2C)C1 ZINC001500550136 1185820145 /nfs/dbraw/zinc/82/01/45/1185820145.db2.gz KACVXPYMQZJENZ-GOSISDBHSA-N 0 3 320.502 3.312 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CCCC(C)C)C2)CC1 ZINC001501015824 1185855977 /nfs/dbraw/zinc/85/59/77/1185855977.db2.gz NYFAXWBUKQJZQQ-IBGZPJMESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC(C)C)CCC1 ZINC001501392135 1185897441 /nfs/dbraw/zinc/89/74/41/1185897441.db2.gz WEODLBYEGFQUOL-IAGOWNOFSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCc1ccccc1 ZINC001501396221 1185900172 /nfs/dbraw/zinc/90/01/72/1185900172.db2.gz UINMONRPZCBRCC-WOJBJXKFSA-N 0 3 324.468 3.098 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1occ2c1CCC2 ZINC001501665922 1185918255 /nfs/dbraw/zinc/91/82/55/1185918255.db2.gz VQLPZVGDTDIUIR-UHFFFAOYSA-N 0 3 324.424 3.316 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)CCC)cc1 ZINC001501673508 1185920132 /nfs/dbraw/zinc/92/01/32/1185920132.db2.gz PVECXOUHCCSYSS-HZPDHXFCSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](CC)CCC)cc1 ZINC001501681879 1185922197 /nfs/dbraw/zinc/92/21/97/1185922197.db2.gz SKHWHUXGBNPZCC-NVXWUHKLSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC001501710320 1185925282 /nfs/dbraw/zinc/92/52/82/1185925282.db2.gz KELKPHRUDKQHNI-SHTZXODSSA-N 0 3 321.490 3.264 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@H](CCC)CC(C)C)C2)CC1 ZINC001501749343 1185928463 /nfs/dbraw/zinc/92/84/63/1185928463.db2.gz RWPDJWMUTWVVTR-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCNC1(CNC(=O)CC(C)(C)C2CCCCC2)CCC1 ZINC001502017440 1185947519 /nfs/dbraw/zinc/94/75/19/1185947519.db2.gz KAVVRQPXWNPNLG-UHFFFAOYSA-N 0 3 304.478 3.245 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC001502136081 1185959652 /nfs/dbraw/zinc/95/96/52/1185959652.db2.gz XSXFYVTVKZOHFS-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCCC)C1 ZINC001502404292 1185980099 /nfs/dbraw/zinc/98/00/99/1185980099.db2.gz FDCAERKUWSRVLT-QZTJIDSGSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCCCC)C1 ZINC001502404294 1185980779 /nfs/dbraw/zinc/98/07/79/1185980779.db2.gz FDCAERKUWSRVLT-ZWKOTPCHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccsc2)C(C)(C)C1 ZINC001502829488 1186019746 /nfs/dbraw/zinc/01/97/46/1186019746.db2.gz VUIBGZLVFCLPMI-OAHLLOKOSA-N 0 3 306.475 3.083 20 30 DGEDHN C[C@@H](CCNC(=O)C1CCCCC1)NCc1ccccc1C#N ZINC001503050784 1186037533 /nfs/dbraw/zinc/03/75/33/1186037533.db2.gz LUEIGHJPONTPOF-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(CC=C)CC=C ZINC001505414491 1186071093 /nfs/dbraw/zinc/07/10/93/1186071093.db2.gz IONFIWKEBSUKNJ-WOJBJXKFSA-N 0 3 322.452 3.150 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc2ccoc21 ZINC001505435048 1186078812 /nfs/dbraw/zinc/07/88/12/1186078812.db2.gz AZZUQFLUVGIDLU-HNNXBMFYSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccccc1F ZINC001505444886 1186081585 /nfs/dbraw/zinc/08/15/85/1186081585.db2.gz KMICDRAGCFTHFP-WBVHZDCISA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(C)CCC(=O)NC1CC(CNCc2cccc(F)c2F)C1 ZINC001505498797 1186095564 /nfs/dbraw/zinc/09/55/64/1186095564.db2.gz YCWHRGDYTJBIFH-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)CCCc2ccccc2)C1 ZINC001505514940 1186097193 /nfs/dbraw/zinc/09/71/93/1186097193.db2.gz CYFVTDWLAVZTIA-UHFFFAOYSA-N 0 3 320.864 3.246 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)c1F ZINC001505594935 1186109372 /nfs/dbraw/zinc/10/93/72/1186109372.db2.gz LFCHASGIDRGRTC-OLZOCXBDSA-N 0 3 324.827 3.265 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)c1F ZINC001505594934 1186109731 /nfs/dbraw/zinc/10/97/31/1186109731.db2.gz LFCHASGIDRGRTC-CHWSQXEVSA-N 0 3 324.827 3.265 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)cc1F ZINC001505601845 1186111282 /nfs/dbraw/zinc/11/12/82/1186111282.db2.gz BBPZVERBLWHSDQ-STQMWFEESA-N 0 3 324.827 3.121 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001505974769 1186172689 /nfs/dbraw/zinc/17/26/89/1186172689.db2.gz WGPLYTPGIOVEFM-INIZCTEOSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001506012736 1186182235 /nfs/dbraw/zinc/18/22/35/1186182235.db2.gz LSOOMUIRABIYOD-ZIAGYGMSSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CCC(C)(C)c1ccccc1 ZINC001506067314 1186192586 /nfs/dbraw/zinc/19/25/86/1186192586.db2.gz LDNZKQJFHXZAON-INIZCTEOSA-N 0 3 302.462 3.367 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC12CC2 ZINC001506548406 1186244577 /nfs/dbraw/zinc/24/45/77/1186244577.db2.gz IJPGRLSHLJFYTE-RTBURBONSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001506577611 1186255495 /nfs/dbraw/zinc/25/54/95/1186255495.db2.gz AEETWDPFJWMHSA-IEBWSBKVSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001506620082 1186262689 /nfs/dbraw/zinc/26/26/89/1186262689.db2.gz QIIWVTCKBGBZNN-QGZVFWFLSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001506625033 1186264163 /nfs/dbraw/zinc/26/41/63/1186264163.db2.gz AJKPSEBENBFFLL-INIZCTEOSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001506648784 1186268356 /nfs/dbraw/zinc/26/83/56/1186268356.db2.gz GGXYRWSVNGKSGA-UZLBHIALSA-N 0 3 314.473 3.268 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001506660357 1186270070 /nfs/dbraw/zinc/27/00/70/1186270070.db2.gz MTQGHIVTWSZMHF-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001506658164 1186270854 /nfs/dbraw/zinc/27/08/54/1186270854.db2.gz DNWTVLIUAKQCLQ-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCCCC(C)C)C[C@]2(C)C1 ZINC001506869342 1186301229 /nfs/dbraw/zinc/30/12/29/1186301229.db2.gz URLJNWCJKCQMLB-BGYRXZFFSA-N 0 3 318.505 3.397 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001506919660 1186312116 /nfs/dbraw/zinc/31/21/16/1186312116.db2.gz ZABHHHJZBWKDIN-QJIMOZNHSA-N 0 3 317.408 3.038 20 30 DGEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)CC1(C)CC1 ZINC001506930283 1186315850 /nfs/dbraw/zinc/31/58/50/1186315850.db2.gz JHURJXWHMLYJSG-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(C(C)C)no1 ZINC001506940056 1186318987 /nfs/dbraw/zinc/31/89/87/1186318987.db2.gz GKPQRRJYNQXZSB-LBPRGKRZSA-N 0 3 313.829 3.039 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001507110872 1186362685 /nfs/dbraw/zinc/36/26/85/1186362685.db2.gz QIMRTXAMIPIIHL-CQSZACIVSA-N 0 3 319.474 3.303 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1 ZINC001507113477 1186362707 /nfs/dbraw/zinc/36/27/07/1186362707.db2.gz OGNMDZXIYIIYOE-ZIAGYGMSSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001507113471 1186363428 /nfs/dbraw/zinc/36/34/28/1186363428.db2.gz OGNMDZXIYIIYOE-KBPBESRZSA-N 0 3 323.868 3.274 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](CC)CCCC)CCC[C@H]12 ZINC001507361245 1186402244 /nfs/dbraw/zinc/40/22/44/1186402244.db2.gz ZSSZWIPZGCYZKO-JENIJYKNSA-N 0 3 304.478 3.339 20 30 DGEDHN CC/C(C)=C/C(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001507431073 1186428710 /nfs/dbraw/zinc/42/87/10/1186428710.db2.gz KBMFFMYVNFFQOR-DQSGYLJSSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(NCc2cc(C)ccc2F)C1 ZINC001508099577 1186480827 /nfs/dbraw/zinc/48/08/27/1186480827.db2.gz MNUWXSQEHXBUJP-UHFFFAOYSA-N 0 3 304.409 3.179 20 30 DGEDHN C[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC001611798146 1193441904 /nfs/dbraw/zinc/44/19/04/1193441904.db2.gz PAUARHZYHIYYAA-OLZOCXBDSA-N 0 3 302.378 3.141 20 30 DGEDHN C=CC1(CC(=O)OC[C@H]2CCN2C2CCOCC2)CCCCC1 ZINC001517126638 1186802843 /nfs/dbraw/zinc/80/28/43/1186802843.db2.gz VNTMQDFZPWJVRV-QGZVFWFLSA-N 0 3 321.461 3.310 20 30 DGEDHN N#CC(C(=O)[C@H]1CCSC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517121128 1186803061 /nfs/dbraw/zinc/80/30/61/1186803061.db2.gz CVVKTAKQLQHMRM-DTWKUNHWSA-N 0 3 305.790 3.146 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC1(c2nc(C)cs2)CCCC1 ZINC001521482214 1187026132 /nfs/dbraw/zinc/02/61/32/1187026132.db2.gz IOLSBSGYIHZEJR-ZDUSSCGKSA-N 0 3 307.463 3.021 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC001521995401 1187060449 /nfs/dbraw/zinc/06/04/49/1187060449.db2.gz VNSUYZWJEVXJSC-HZPDHXFCSA-N 0 3 320.408 3.181 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC001522181288 1187068548 /nfs/dbraw/zinc/06/85/48/1187068548.db2.gz GTEDMEGHJSBPIS-BRWVUGGUSA-N 0 3 310.482 3.160 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC001522310245 1187074212 /nfs/dbraw/zinc/07/42/12/1187074212.db2.gz AGBSZKFVKNUHAH-LBPRGKRZSA-N 0 3 302.296 3.049 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCCC1(F)F)C(=O)Nc1ccccc1 ZINC001524029595 1187210451 /nfs/dbraw/zinc/21/04/51/1187210451.db2.gz QCYTVOCRPHYHBB-AAEUAGOBSA-N 0 3 306.312 3.159 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001656109042 1196003696 /nfs/dbraw/zinc/00/36/96/1196003696.db2.gz DCSAHDNCWVLXQD-INIZCTEOSA-N 0 3 305.466 3.440 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001526593647 1187377205 /nfs/dbraw/zinc/37/72/05/1187377205.db2.gz IEEUNGJIEPXEKK-APWZRJJASA-N 0 3 307.397 3.274 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC001527142611 1187412533 /nfs/dbraw/zinc/41/25/33/1187412533.db2.gz DFCSWKJQVOOKFG-NVXWUHKLSA-N 0 3 300.446 3.498 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001616682973 1193545008 /nfs/dbraw/zinc/54/50/08/1193545008.db2.gz CUJMOIJNSDXGSQ-MSOLQXFVSA-N 0 3 305.418 3.038 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(Cl)nc(Cl)c1 ZINC001617597592 1193574883 /nfs/dbraw/zinc/57/48/83/1193574883.db2.gz KDCACZWVSLQDCI-UHFFFAOYSA-N 0 3 302.249 3.328 20 30 DGEDHN C=C(C)CN(CCCCC(=O)OC)Cc1cnn(C(C)C)c1 ZINC001617867551 1193583478 /nfs/dbraw/zinc/58/34/78/1193583478.db2.gz GABKTUQUYBBJOM-UHFFFAOYSA-N 0 3 307.438 3.185 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccsc1 ZINC001565826694 1188979635 /nfs/dbraw/zinc/97/96/35/1188979635.db2.gz QWFQEOYZNWIZJL-ZBFHGGJFSA-N 0 3 306.475 3.351 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001556898919 1189027257 /nfs/dbraw/zinc/02/72/57/1189027257.db2.gz SWQIQDUVOTXCTJ-JZXOWHBKSA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@H]1[C@H](Nc2cc(C(F)(F)F)c(F)cc2C#N)CCN1C ZINC001559283745 1189192054 /nfs/dbraw/zinc/19/20/54/1189192054.db2.gz WNPFSMBEXGWRDX-QPUJVOFHSA-N 0 3 301.287 3.221 20 30 DGEDHN C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)c(F)cc2C#N)CCN1C ZINC001559283743 1189192444 /nfs/dbraw/zinc/19/24/44/1189192444.db2.gz WNPFSMBEXGWRDX-PELKAZGASA-N 0 3 301.287 3.221 20 30 DGEDHN COC(=O)C1(c2ccc(CN3CCC(C)(C#N)CC3)cc2)CC1 ZINC001559676277 1189230124 /nfs/dbraw/zinc/23/01/24/1189230124.db2.gz XKIRXMUIFIYEMH-UHFFFAOYSA-N 0 3 312.413 3.017 20 30 DGEDHN CN(Cc1cnc2ccccc2c1)C[C@H](O)c1cccc(C#N)c1 ZINC001559975946 1189264685 /nfs/dbraw/zinc/26/46/85/1189264685.db2.gz DBKCAQNSTZLGMS-FQEVSTJZSA-N 0 3 317.392 3.272 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001559982998 1189266876 /nfs/dbraw/zinc/26/68/76/1189266876.db2.gz CNYSPLOZXNKUNI-GJZGRUSLSA-N 0 3 304.409 3.291 20 30 DGEDHN Cn1nccc1C[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC001560237191 1189296193 /nfs/dbraw/zinc/29/61/93/1189296193.db2.gz IWUSIVKKVWCYJF-SFHVURJKSA-N 0 3 313.832 3.132 20 30 DGEDHN CCc1cccc2cc(CNCCNc3ccc(C#N)cn3)oc21 ZINC001560260085 1189301380 /nfs/dbraw/zinc/30/13/80/1189301380.db2.gz PNFBPINJYMKPOY-UHFFFAOYSA-N 0 3 320.396 3.464 20 30 DGEDHN C#Cc1ccc(CN2CC(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC001560875781 1189398508 /nfs/dbraw/zinc/39/85/08/1189398508.db2.gz GAEZVQXVXRMLQJ-UHFFFAOYSA-N 0 3 321.420 3.360 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001565062312 1189617465 /nfs/dbraw/zinc/61/74/65/1189617465.db2.gz PBEGMERWVLPTJV-OAGGEKHMSA-N 0 3 307.482 3.293 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3coc4cc(C)c(C)cc34)C2)C1 ZINC001565498847 1189651275 /nfs/dbraw/zinc/65/12/75/1189651275.db2.gz FEFBQTMMWBYRCY-UHFFFAOYSA-N 0 3 324.424 3.384 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001565826137 1189679608 /nfs/dbraw/zinc/67/96/08/1189679608.db2.gz GCHXJJPYMGQHEB-DZGCQCFKSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001565835804 1189685008 /nfs/dbraw/zinc/68/50/08/1189685008.db2.gz VDWBDEXKBIAFFK-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001565847928 1189688620 /nfs/dbraw/zinc/68/86/20/1189688620.db2.gz YGWQBFAHRMPBOR-TXEJJXNPSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001565876868 1189698538 /nfs/dbraw/zinc/69/85/38/1189698538.db2.gz VOIIDICZIOBWHT-IIAWOOMASA-N 0 3 306.837 3.027 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)CCC)C2)CC1 ZINC001565921958 1189704896 /nfs/dbraw/zinc/70/48/96/1189704896.db2.gz LXNKRQVBVAMJEH-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccco1 ZINC001565929768 1189705210 /nfs/dbraw/zinc/70/52/10/1189705210.db2.gz UEWUCHGVWPXLKT-TZMCWYRMSA-N 0 3 310.825 3.253 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC(C)C ZINC001565993779 1189711101 /nfs/dbraw/zinc/71/11/01/1189711101.db2.gz VVRMVMNIDOXENX-BPQIPLTHSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)CCCC)C[C@@H]2C1 ZINC001566038005 1189721318 /nfs/dbraw/zinc/72/13/18/1189721318.db2.gz GHOBUOHMDKDIQP-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1Cc1ccccc1C1CC1 ZINC001566088628 1189731627 /nfs/dbraw/zinc/73/16/27/1189731627.db2.gz MJEHQAKSDFISCM-QRWLVFNGSA-N 0 3 322.452 3.056 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)CCC2CCCCC2)[C@H]1C ZINC001566111320 1189736548 /nfs/dbraw/zinc/73/65/48/1189736548.db2.gz AUNQBNQEYCLWIW-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001566119371 1189737865 /nfs/dbraw/zinc/73/78/65/1189737865.db2.gz HZCIIKNEJZKJKC-DVQDXYAYSA-N 0 3 322.493 3.104 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CCCC)CC2)CC(C)(C)C1 ZINC001566131912 1189745479 /nfs/dbraw/zinc/74/54/79/1189745479.db2.gz SBAPAWRLFKICNM-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCC(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001566448638 1189773042 /nfs/dbraw/zinc/77/30/42/1189773042.db2.gz OYPUFXQBJHEUBW-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cncc(C)c1)C1CC1 ZINC001566594013 1189813969 /nfs/dbraw/zinc/81/39/69/1189813969.db2.gz LDIPWNGIQDONCU-UHFFFAOYSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc([C@@H](C)CC)cc1)C1CC1 ZINC001566604110 1189818057 /nfs/dbraw/zinc/81/80/57/1189818057.db2.gz OPOACSYJJDHWRF-INIZCTEOSA-N 0 3 312.457 3.418 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001566663819 1189846829 /nfs/dbraw/zinc/84/68/29/1189846829.db2.gz UNYRWEAGFSUNHM-HXUWFJFHSA-N 0 3 320.436 3.334 20 30 DGEDHN C=CCCC(=O)NC[C@H](N[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC001566704306 1189866832 /nfs/dbraw/zinc/86/68/32/1189866832.db2.gz KVGNXWAUEQLNKN-SJCJKPOMSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001566846948 1189921166 /nfs/dbraw/zinc/92/11/66/1189921166.db2.gz LDYTZUAXUUKENJ-PHIMTYICSA-N 0 3 308.800 3.047 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566962593 1189972402 /nfs/dbraw/zinc/97/24/02/1189972402.db2.gz JXFMKZSQZLSQPB-ZWKOTPCHSA-N 0 3 318.505 3.443 20 30 DGEDHN C[C@H](CNC(=O)CC1CCCCC1)NCc1ccc(C#N)s1 ZINC001566997527 1189987667 /nfs/dbraw/zinc/98/76/67/1189987667.db2.gz XKYKYUHCXNNLLA-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C[C@@H](CNC(=O)CC1CCCCC1)NCc1ccc(C#N)s1 ZINC001566997528 1189988241 /nfs/dbraw/zinc/98/82/41/1189988241.db2.gz XKYKYUHCXNNLLA-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001567002311 1189990630 /nfs/dbraw/zinc/99/06/30/1189990630.db2.gz QEJVSJSMVNIHTK-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@@H](CCNC(=O)CC1CCCC1)NCc1ccccc1C#N ZINC001567205923 1190069089 /nfs/dbraw/zinc/06/90/89/1190069089.db2.gz MHWHAWXVVCIJEQ-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cccc(Cl)c1 ZINC001567227437 1190079944 /nfs/dbraw/zinc/07/99/44/1190079944.db2.gz HBLBAGCAVSJMFD-GFCCVEGCSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cc[nH]c1CC ZINC001567251197 1190096935 /nfs/dbraw/zinc/09/69/35/1190096935.db2.gz HSSNFKLICNCULQ-AWEZNQCLSA-N 0 3 323.868 3.304 20 30 DGEDHN CCCCCCCN1CCC[C@H]1CNC(=O)C(=O)C(C)(C)C ZINC001567366854 1190154493 /nfs/dbraw/zinc/15/44/93/1190154493.db2.gz QLQUFBVLPCCMIV-HNNXBMFYSA-N 0 3 310.482 3.153 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001567399265 1190171068 /nfs/dbraw/zinc/17/10/68/1190171068.db2.gz RBAXDTJUJGHANP-HNNXBMFYSA-N 0 3 318.848 3.082 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC001567448713 1190199273 /nfs/dbraw/zinc/19/92/73/1190199273.db2.gz RNMFUJSBFGKEIV-CYBMUJFWSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(-c2ccccc2)nc1)C1CC1 ZINC001567451963 1190200188 /nfs/dbraw/zinc/20/01/88/1190200188.db2.gz ITHYXGOWSPPGMW-UHFFFAOYSA-N 0 3 321.424 3.129 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1scnc1C(C)(C)C)C1CC1 ZINC001567451547 1190200634 /nfs/dbraw/zinc/20/06/34/1190200634.db2.gz VNERSEBPSVOWCJ-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@H](C)c1ccccc1F)C1CC1 ZINC001567451215 1190200969 /nfs/dbraw/zinc/20/09/69/1190200969.db2.gz IMGKWQMEBIAKLO-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c(C)cc(C)nc1C)c1ccccc1 ZINC001567660721 1190241357 /nfs/dbraw/zinc/24/13/57/1190241357.db2.gz HYRBGRZMGHEZIS-SFHVURJKSA-N 0 3 323.440 3.254 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1occc1Cl)c1ccccc1 ZINC001567663144 1190241651 /nfs/dbraw/zinc/24/16/51/1190241651.db2.gz NFJFVHQGZOMXBE-HNNXBMFYSA-N 0 3 316.788 3.017 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001567773679 1190294597 /nfs/dbraw/zinc/29/45/97/1190294597.db2.gz YVGZTXYQYHVSST-MSOLQXFVSA-N 0 3 312.457 3.296 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001567895324 1190339138 /nfs/dbraw/zinc/33/91/38/1190339138.db2.gz QXOFQWFLUJZULT-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001567920636 1190351936 /nfs/dbraw/zinc/35/19/36/1190351936.db2.gz ISNFFVCQJUVNRW-AEFFLSMTSA-N 0 3 300.446 3.322 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001567927420 1190359485 /nfs/dbraw/zinc/35/94/85/1190359485.db2.gz LPBVWBTWOGGGPR-AEFFLSMTSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC2(c3ccccc3)CC2)C1 ZINC001567938849 1190364211 /nfs/dbraw/zinc/36/42/11/1190364211.db2.gz LJHNBITWBKMNCF-LJQANCHMSA-N 0 3 324.468 3.054 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)N[C@H](C)c1ccccc1F ZINC001567958957 1190375507 /nfs/dbraw/zinc/37/55/07/1190375507.db2.gz VSPGPSLXUFTYBC-HUUCEWRRSA-N 0 3 304.409 3.031 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001567958851 1190375921 /nfs/dbraw/zinc/37/59/21/1190375921.db2.gz BSLCSWGHEDNGNP-OIQJVACTSA-N 0 3 317.408 3.038 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)N[C@H](C)c1ccccc1F ZINC001567960205 1190376611 /nfs/dbraw/zinc/37/66/11/1190376611.db2.gz XEGZJNKJVQYDCW-HUUCEWRRSA-N 0 3 304.409 3.175 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)N[C@H](C)c1ccccc1F ZINC001567960203 1190377093 /nfs/dbraw/zinc/37/70/93/1190377093.db2.gz XEGZJNKJVQYDCW-CABCVRRESA-N 0 3 304.409 3.175 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001568014394 1190398680 /nfs/dbraw/zinc/39/86/80/1190398680.db2.gz BZTISIBAWBFSQF-KUHUBIRLSA-N 0 3 316.445 3.235 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCCC#CC)C1 ZINC001568064879 1190412558 /nfs/dbraw/zinc/41/25/58/1190412558.db2.gz QUSNHRMGHDHHRX-MRXNPFEDSA-N 0 3 310.869 3.151 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)C(CC)CC)cc1 ZINC001568118856 1190426607 /nfs/dbraw/zinc/42/66/07/1190426607.db2.gz HQMYIPRBHHJTSP-HNNXBMFYSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CCCC1 ZINC001568237926 1190458502 /nfs/dbraw/zinc/45/85/02/1190458502.db2.gz OYQQAKOPFNQNTM-KFWWJZLASA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)CC(F)(F)F)CC2 ZINC001568251288 1190462600 /nfs/dbraw/zinc/46/26/00/1190462600.db2.gz JXQQMRCTMZKBMX-CYBMUJFWSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001568276185 1190470705 /nfs/dbraw/zinc/47/07/05/1190470705.db2.gz CMCGWYPEKYLMLF-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001568297989 1190478512 /nfs/dbraw/zinc/47/85/12/1190478512.db2.gz HHRMGUBWZLQOEZ-SUMWQHHRSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)CCC1 ZINC001568298092 1190478522 /nfs/dbraw/zinc/47/85/22/1190478522.db2.gz IZNQVQRIKFYKOE-GOSISDBHSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CCNCc1cc(C)no1 ZINC001568385434 1190508539 /nfs/dbraw/zinc/50/85/39/1190508539.db2.gz FRFWUXXYLACSES-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1c(C)oc(C)c1C)C(C)C ZINC001568456861 1190527575 /nfs/dbraw/zinc/52/75/75/1190527575.db2.gz ZMPNAKAOBGARSQ-CQSZACIVSA-N 0 3 312.841 3.301 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1cnc(C)s1)C(C)C ZINC001568461390 1190528822 /nfs/dbraw/zinc/52/88/22/1190528822.db2.gz USGKDUKAXYQGRK-NVXWUHKLSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](Cc1ccccc1)C(C)C ZINC001568496137 1190547484 /nfs/dbraw/zinc/54/74/84/1190547484.db2.gz JXGXUPCXXPSMHZ-LJQANCHMSA-N 0 3 316.489 3.468 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)CC(C)(C)C1CCCCC1 ZINC001568502073 1190551312 /nfs/dbraw/zinc/55/13/12/1190551312.db2.gz YWNQTRQQSASUTN-UHFFFAOYSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C\Cl ZINC001568520717 1190558184 /nfs/dbraw/zinc/55/81/84/1190558184.db2.gz SEGOBQSIJNVXAW-HIZVYSOWSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1c(F)cccc1F ZINC001568554461 1190564535 /nfs/dbraw/zinc/56/45/35/1190564535.db2.gz RABFYKBLTAXGDY-UHFFFAOYSA-N 0 3 324.415 3.254 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc(Cl)cc1 ZINC001568553980 1190564615 /nfs/dbraw/zinc/56/46/15/1190564615.db2.gz FGLQJPFOKMNFNU-FLIBITNWSA-N 0 3 306.837 3.320 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1sccc1Cl ZINC001568634073 1190571349 /nfs/dbraw/zinc/57/13/49/1190571349.db2.gz TYJKRNWEBSHTAS-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C(C)C)nc1C ZINC001568678466 1190577492 /nfs/dbraw/zinc/57/74/92/1190577492.db2.gz RRLRLUAZTJYSCH-CYBMUJFWSA-N 0 3 323.868 3.364 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(c2ccccc2F)CC1 ZINC001568694881 1190579379 /nfs/dbraw/zinc/57/93/79/1190579379.db2.gz PXMJCEIOHXLZFT-ZDUSSCGKSA-N 0 3 324.827 3.094 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)CCNCc1cccc(F)c1 ZINC001568744985 1190584518 /nfs/dbraw/zinc/58/45/18/1190584518.db2.gz CEOGSPSHIXEPLS-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001569037995 1190612161 /nfs/dbraw/zinc/61/21/61/1190612161.db2.gz CLTGAHVWBVGKPQ-FZXWVIKQSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2sc(C)nc2C)CCC1 ZINC001569079009 1190617261 /nfs/dbraw/zinc/61/72/61/1190617261.db2.gz KZTZDCPMVFIXHX-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)C=C(CC)CC ZINC001569193187 1190651745 /nfs/dbraw/zinc/65/17/45/1190651745.db2.gz PLHIVTOUWUYUCU-UHFFFAOYSA-N 0 3 317.271 3.080 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)Cc1ccccc1C ZINC001569270322 1190659252 /nfs/dbraw/zinc/65/92/52/1190659252.db2.gz RCFIFYYVBDYYOX-HNNXBMFYSA-N 0 3 322.880 3.364 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001569362198 1190676633 /nfs/dbraw/zinc/67/66/33/1190676633.db2.gz WZFFBDHPWMMXPG-OCCSQVGLSA-N 0 3 323.387 3.178 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C)(C)Cc1ccccc1 ZINC001569380823 1190685320 /nfs/dbraw/zinc/68/53/20/1190685320.db2.gz XKSYYBWCKYJCIV-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001569412538 1190693279 /nfs/dbraw/zinc/69/32/79/1190693279.db2.gz LDLNDCCWILWWPK-CYBMUJFWSA-N 0 3 304.409 3.337 20 30 DGEDHN CC#CCCCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001569414543 1190693963 /nfs/dbraw/zinc/69/39/63/1190693963.db2.gz OVEVMGHKALKDQQ-HNNXBMFYSA-N 0 3 316.420 3.319 20 30 DGEDHN Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)C)c1 ZINC001569446360 1190699568 /nfs/dbraw/zinc/69/95/68/1190699568.db2.gz MOCVOQJRDOMIGX-UXHICEINSA-N 0 3 324.468 3.220 20 30 DGEDHN O=C(CCCC1CC1)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001569551143 1190715610 /nfs/dbraw/zinc/71/56/10/1190715610.db2.gz BBHQJPBGNQITSZ-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)C(CC)CC)C1CCN(CC=C)CC1 ZINC001569588875 1190720447 /nfs/dbraw/zinc/72/04/47/1190720447.db2.gz RMGSWYAQCOANBO-INIZCTEOSA-N 0 3 304.478 3.171 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cncs1)C1CCCC1 ZINC001569603647 1190721870 /nfs/dbraw/zinc/72/18/70/1190721870.db2.gz CNGZLWOYZYXVBG-INIZCTEOSA-N 0 3 321.490 3.264 20 30 DGEDHN CC[C@@H](F)CNC[C@@H](NC(=O)C#CC(C)(C)C)C1CCCC1 ZINC001569603845 1190721913 /nfs/dbraw/zinc/72/19/13/1190721913.db2.gz GOVYGQBWIRVXFL-HZPDHXFCSA-N 0 3 310.457 3.049 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@](C)(F)CCCC)C2 ZINC001569623083 1190725388 /nfs/dbraw/zinc/72/53/88/1190725388.db2.gz VZZFVWJLZUFVPL-RTBURBONSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCCN1CC[C@@](C)(NC(=O)c2cnc(C3CC3)s2)C1 ZINC001569650564 1190734501 /nfs/dbraw/zinc/73/45/01/1190734501.db2.gz DETVTUKPJFRGPE-QGZVFWFLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001569650756 1190734595 /nfs/dbraw/zinc/73/45/95/1190734595.db2.gz HNMHSQWLXYXSLA-JSGCOSHPSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001569706729 1190744475 /nfs/dbraw/zinc/74/44/75/1190744475.db2.gz VVEOEUIHYHTYGK-HOTGVXAUSA-N 0 3 306.494 3.156 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001569725996 1190750492 /nfs/dbraw/zinc/75/04/92/1190750492.db2.gz LDPFCTTVIKEKEL-WXVPWVKJSA-N 0 3 304.478 3.217 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001569862401 1190765951 /nfs/dbraw/zinc/76/59/51/1190765951.db2.gz FPLRXHXHRSPIMK-WKILWMFISA-N 0 3 319.449 3.043 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001569870299 1190768109 /nfs/dbraw/zinc/76/81/09/1190768109.db2.gz RXZPEKBQWWDZGD-IEBWSBKVSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C/C=C/c1ccc(C)cc1 ZINC001569917480 1190774086 /nfs/dbraw/zinc/77/40/86/1190774086.db2.gz SSJYRXDZDHSLHW-UIMSKZMLSA-N 0 3 322.452 3.097 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001570000048 1190780459 /nfs/dbraw/zinc/78/04/59/1190780459.db2.gz HFJCQPQPHCQNJK-LLVKDONJSA-N 0 3 317.216 3.127 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC1(F)F ZINC001570026740 1190783879 /nfs/dbraw/zinc/78/38/79/1190783879.db2.gz IMSRNEVGKYLXQY-MRXNPFEDSA-N 0 3 322.399 3.356 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC001570030411 1190784446 /nfs/dbraw/zinc/78/44/46/1190784446.db2.gz TZTNQFLPLLWSLP-APWZRJJASA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC001570031158 1190785053 /nfs/dbraw/zinc/78/50/53/1190785053.db2.gz JBXPAOHDYOWTOJ-JVPBZIDWSA-N 0 3 310.441 3.023 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(CC)CC)cc1 ZINC001570033688 1190785066 /nfs/dbraw/zinc/78/50/66/1190785066.db2.gz ZUYDTRIBKBUISE-HNNXBMFYSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCNC1(CNC(=O)c2cc3cccc(C)c3s2)CCC1 ZINC001570109531 1190797445 /nfs/dbraw/zinc/79/74/45/1190797445.db2.gz OAKPNBOCSSZBJO-UHFFFAOYSA-N 0 3 312.438 3.085 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CCC1 ZINC001570121144 1190800223 /nfs/dbraw/zinc/80/02/23/1190800223.db2.gz QGQPSOGONOCGAD-JKSUJKDBSA-N 0 3 304.478 3.101 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001570188902 1190812511 /nfs/dbraw/zinc/81/25/11/1190812511.db2.gz DVIKCQFPMVJYER-FHHGHWCOSA-N 0 3 310.441 3.002 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001570202520 1190817926 /nfs/dbraw/zinc/81/79/26/1190817926.db2.gz BKNPSGMQHBGONR-IAGOWNOFSA-N 0 3 304.478 3.028 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@](C)(CC)CCC)C(C)(C)C1 ZINC001570397075 1190852332 /nfs/dbraw/zinc/85/23/32/1190852332.db2.gz BEUXCOZQHJKTAM-VQIMIIECSA-N 0 3 306.494 3.443 20 30 DGEDHN Cc1cc(CN2CC[C@@H](NC(=O)C#CC(C)C)C[C@@H]2C)cs1 ZINC001570434867 1190857402 /nfs/dbraw/zinc/85/74/02/1190857402.db2.gz PGOCTTRLUSUKHG-WMLDXEAASA-N 0 3 318.486 3.185 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC/C=C/c2ccccc2)C[C@H]1C ZINC001570445449 1190860331 /nfs/dbraw/zinc/86/03/31/1190860331.db2.gz LXXJNQZIPYKRQS-YBGNTVOFSA-N 0 3 324.468 3.472 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001570500516 1190870154 /nfs/dbraw/zinc/87/01/54/1190870154.db2.gz UKIKRXVTDVIQIF-CQSZACIVSA-N 0 3 312.885 3.346 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001570530182 1190876520 /nfs/dbraw/zinc/87/65/20/1190876520.db2.gz FYUFEJKHPDZTQK-BZUAXINKSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1sc(CCC)nc1C ZINC001570545857 1190884066 /nfs/dbraw/zinc/88/40/66/1190884066.db2.gz YVAMNLYDMYMLPP-AWEZNQCLSA-N 0 3 321.490 3.126 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001570545637 1190884511 /nfs/dbraw/zinc/88/45/11/1190884511.db2.gz WMPJLOIBKNVVIS-ZFWWWQNUSA-N 0 3 322.399 3.177 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001570591548 1190895853 /nfs/dbraw/zinc/89/58/53/1190895853.db2.gz ZUBGPZNQKZLFBX-NWDGAFQWSA-N 0 3 307.463 3.039 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@@H](C)c1cccc(OC)c1 ZINC001570700848 1190921410 /nfs/dbraw/zinc/92/14/10/1190921410.db2.gz XNRULDBDVRSJEC-GJZGRUSLSA-N 0 3 304.434 3.159 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001570699636 1190921685 /nfs/dbraw/zinc/92/16/85/1190921685.db2.gz CIRYKQBHMSEFCI-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001570749456 1190942810 /nfs/dbraw/zinc/94/28/10/1190942810.db2.gz VHNRJFIIEWXSDM-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN CCCC[C@@H](CNCc1ccccc1Cl)NC(=O)[C@@H](C)C#N ZINC001570807684 1190953850 /nfs/dbraw/zinc/95/38/50/1190953850.db2.gz QUUXPKFDUCFJJV-ZFWWWQNUSA-N 0 3 321.852 3.264 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001570823042 1190958396 /nfs/dbraw/zinc/95/83/96/1190958396.db2.gz PUUVKYBKVOGZGO-AWEZNQCLSA-N 0 3 314.420 3.052 20 30 DGEDHN CC(C)c1ccccc1CN1CC([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001570839899 1190963276 /nfs/dbraw/zinc/96/32/76/1190963276.db2.gz UGLZJWMAWWGYSZ-INIZCTEOSA-N 0 3 324.468 3.160 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001570844039 1190964401 /nfs/dbraw/zinc/96/44/01/1190964401.db2.gz VLCHPGHDZBMDKP-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](CC)CCCC)C(C)(C)C1 ZINC001570899968 1190972797 /nfs/dbraw/zinc/97/27/97/1190972797.db2.gz WXUSARGTKCZHTD-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001571157408 1190983785 /nfs/dbraw/zinc/98/37/85/1190983785.db2.gz OYGWMZXYQMWMGJ-CTYIDZIISA-N 0 3 321.852 3.056 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C(C)(C)C)s1 ZINC001571417987 1191020780 /nfs/dbraw/zinc/02/07/80/1191020780.db2.gz NWKYCKZPZNKNCT-CYBMUJFWSA-N 0 3 306.475 3.119 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2c(C)nsc2C)[C@H]1C ZINC001571461788 1191024056 /nfs/dbraw/zinc/02/40/56/1191024056.db2.gz SNRCWJHXCUBZPN-CZUORRHYSA-N 0 3 321.490 3.195 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001571476988 1191027009 /nfs/dbraw/zinc/02/70/09/1191027009.db2.gz LLVGKSNAZNMYGV-RDJZCZTQSA-N 0 3 324.424 3.171 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCCc2ccccc2)C1 ZINC001571484707 1191028272 /nfs/dbraw/zinc/02/82/72/1191028272.db2.gz HOFWESVCXFYEON-IEBWSBKVSA-N 0 3 312.457 3.002 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCCCc2ccccc2)C1 ZINC001571484709 1191028375 /nfs/dbraw/zinc/02/83/75/1191028375.db2.gz HOFWESVCXFYEON-PKOBYXMFSA-N 0 3 312.457 3.002 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC001571483942 1191028451 /nfs/dbraw/zinc/02/84/51/1191028451.db2.gz YEJZYXWOMILWND-AEFFLSMTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccns2)[C@@H]1C ZINC001571519055 1191040203 /nfs/dbraw/zinc/04/02/03/1191040203.db2.gz NNSZVDWSIJMJFV-LSDHHAIUSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001571518911 1191040911 /nfs/dbraw/zinc/04/09/11/1191040911.db2.gz LKYRBVKDKZCRQR-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCCN(CCOC)[C@@H]2C)CCCCC1 ZINC001571522261 1191042181 /nfs/dbraw/zinc/04/21/81/1191042181.db2.gz CLOVZWJZVQXSTR-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)N(CCN(C)[C@H](C)c1ccc(F)cc1)C(=O)[C@@H](C)C#N ZINC001571610121 1191056656 /nfs/dbraw/zinc/05/66/56/1191056656.db2.gz GWFQPMXUGCVSDR-LSDHHAIUSA-N 0 3 319.424 3.215 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(C)C ZINC001571613297 1191058953 /nfs/dbraw/zinc/05/89/53/1191058953.db2.gz QDFZPBINHMDQLN-ROUUACIJSA-N 0 3 318.505 3.417 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CCC2(CCC2)CO1)C(C)C ZINC001571615776 1191063193 /nfs/dbraw/zinc/06/31/93/1191063193.db2.gz DJMIQCNCVNRGDV-KRWDZBQOSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC2=CCCCC2)CC1 ZINC001571643032 1191072914 /nfs/dbraw/zinc/07/29/14/1191072914.db2.gz PXFDMORYICZNTQ-MRXNPFEDSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(CCCC)CC2)CC1 ZINC001571649451 1191074566 /nfs/dbraw/zinc/07/45/66/1191074566.db2.gz GNIYEOIHWNWBRD-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001571650500 1191075023 /nfs/dbraw/zinc/07/50/23/1191075023.db2.gz VGGLJIICRCYLAQ-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001571664366 1191078959 /nfs/dbraw/zinc/07/89/59/1191078959.db2.gz FRQIYBNPJHDESL-LRVUVFPRSA-N 0 3 300.874 3.390 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)C3CCCC3)CC2)CC1 ZINC001571669910 1191080786 /nfs/dbraw/zinc/08/07/86/1191080786.db2.gz RUHXPBNRXAAZGI-MRXNPFEDSA-N 0 3 316.489 3.197 20 30 DGEDHN CC(C)(C)[C@@H](N)C(=O)N1CCCSC1=Nc1ccccc1 ZINC001573458645 1191433057 /nfs/dbraw/zinc/43/30/57/1191433057.db2.gz YPEIIJKUCJLWKA-ZDUSSCGKSA-N 0 3 305.447 3.013 20 30 DGEDHN C#Cc1cccc(N(CC)C(=O)C[C@H]2NCc3ccccc32)c1 ZINC001574766925 1191450097 /nfs/dbraw/zinc/45/00/97/1191450097.db2.gz WMWTWOCCNCSWLO-LJQANCHMSA-N 0 3 304.393 3.255 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C ZINC001574971914 1191460868 /nfs/dbraw/zinc/46/08/68/1191460868.db2.gz JJZYBKOLXJXRPG-RDJZCZTQSA-N 0 3 312.413 3.295 20 30 DGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1NCc2ccccc21 ZINC001575052003 1191464563 /nfs/dbraw/zinc/46/45/63/1191464563.db2.gz VQMOSKIHIMAOFL-GUYCJALGSA-N 0 3 321.380 3.151 20 30 DGEDHN CCC#C[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001620455500 1193770252 /nfs/dbraw/zinc/77/02/52/1193770252.db2.gz SMSDIEKGTVNJNE-MPGHIAIKSA-N 0 3 306.450 3.168 20 30 DGEDHN CCOC(OCC)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC001621111619 1193803816 /nfs/dbraw/zinc/80/38/16/1193803816.db2.gz KCJXXWWCTKNQGW-AWEZNQCLSA-N 0 3 302.418 3.119 20 30 DGEDHN COc1cc(C)cc(CNCc2cc(C#N)ccc2F)c1O ZINC001621524793 1193853364 /nfs/dbraw/zinc/85/33/64/1193853364.db2.gz VZDMEVBDROEFPI-UHFFFAOYSA-N 0 3 300.333 3.010 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001623033726 1193918704 /nfs/dbraw/zinc/91/87/04/1193918704.db2.gz KYMLJBQNPPHBOL-INIZCTEOSA-N 0 3 317.433 3.247 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCCN1CCC ZINC001625281808 1194041553 /nfs/dbraw/zinc/04/15/53/1194041553.db2.gz LORCWPXSMOFPCP-SFHVURJKSA-N 0 3 316.445 3.397 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCSC(C)(C)C ZINC001626751101 1194094090 /nfs/dbraw/zinc/09/40/90/1194094090.db2.gz SSHYNQUBJGJAFI-UHFFFAOYSA-N 0 3 300.512 3.265 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C(C)(C)C)c(F)c1 ZINC001627281321 1194120446 /nfs/dbraw/zinc/12/04/46/1194120446.db2.gz LIVXLACDZHJEPI-UHFFFAOYSA-N 0 3 319.424 3.200 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001628553163 1194184197 /nfs/dbraw/zinc/18/41/97/1194184197.db2.gz LLWULMRLZYFCNA-GOSISDBHSA-N 0 3 315.461 3.089 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001630474746 1194288477 /nfs/dbraw/zinc/28/84/77/1194288477.db2.gz XCYCKESPSWPPGB-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001635334585 1194545587 /nfs/dbraw/zinc/54/55/87/1194545587.db2.gz PHNFGIASRCXROQ-QGZVFWFLSA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccnc2ccccc12 ZINC001635757889 1194570477 /nfs/dbraw/zinc/57/04/77/1194570477.db2.gz PBNUEBNGVQYVQM-ZHACJKMWSA-N 0 3 323.440 3.214 20 30 DGEDHN CC[C@H]1CN(c2cc(C)c(C#N)cn2)CCN1Cc1ccccc1 ZINC001639761479 1194780476 /nfs/dbraw/zinc/78/04/76/1194780476.db2.gz XRAKVYWPMLRGJV-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1cccc(C#N)n1 ZINC001640182685 1194800311 /nfs/dbraw/zinc/80/03/11/1194800311.db2.gz YILSLBMIKMYHJD-LJQANCHMSA-N 0 3 320.440 3.300 20 30 DGEDHN Cc1cc(C#N)ccc1C(=O)Nc1ccc(CN(C)C)cc1F ZINC001642609383 1194922695 /nfs/dbraw/zinc/92/26/95/1194922695.db2.gz PBYNNXXUORRBRO-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN Cc1cc(NCCN2CCCC(C)(C)C2)c(C#N)cc1[N+](=O)[O-] ZINC001642631768 1194924610 /nfs/dbraw/zinc/92/46/10/1194924610.db2.gz SQKOPORUYFKFPF-UHFFFAOYSA-N 0 3 316.405 3.309 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001644175402 1195087418 /nfs/dbraw/zinc/08/74/18/1195087418.db2.gz QINTZZAZCYKOPR-LJQANCHMSA-N 0 3 312.457 3.159 20 30 DGEDHN CCCCCC[C@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001644193828 1195088155 /nfs/dbraw/zinc/08/81/55/1195088155.db2.gz GQQDINNWWXPNNH-IBGZPJMESA-N 0 3 315.461 3.012 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCCC2CC2)CC1 ZINC001644506697 1195113994 /nfs/dbraw/zinc/11/39/94/1195113994.db2.gz GVTNLGFGYGXOMG-UHFFFAOYSA-N 0 3 320.440 3.419 20 30 DGEDHN CC(C)C[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC001644636496 1195122635 /nfs/dbraw/zinc/12/26/35/1195122635.db2.gz DVGGPVDPEICHKU-MRXNPFEDSA-N 0 3 305.853 3.374 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)c2cccc(C#N)c2)n1 ZINC001644778452 1195133895 /nfs/dbraw/zinc/13/38/95/1195133895.db2.gz BSWRIJXIPLTSRG-RBUKOAKNSA-N 0 3 307.397 3.132 20 30 DGEDHN N#Cc1ccnc(CN2CCC[C@@H](c3c[nH]c4ncccc34)C2)c1 ZINC001648046656 1195273386 /nfs/dbraw/zinc/27/33/86/1195273386.db2.gz GMRDTTYOUUWZED-OAHLLOKOSA-N 0 3 317.396 3.209 20 30 DGEDHN CCC#C[C@H](C)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC001648070290 1195274854 /nfs/dbraw/zinc/27/48/54/1195274854.db2.gz QMULJGFIJHTYSN-INIZCTEOSA-N 0 3 314.429 3.179 20 30 DGEDHN C[C@@H]1CC[C@@](CO)(NCc2cccc(C#N)c2)c2ccccc21 ZINC001648621153 1195314848 /nfs/dbraw/zinc/31/48/48/1195314848.db2.gz JRPDKULPOQBSJL-QRWLVFNGSA-N 0 3 306.409 3.433 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc2ccsc2c1 ZINC001649451478 1195342277 /nfs/dbraw/zinc/34/22/77/1195342277.db2.gz DOEOIEJLEFEKRA-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN CC1(N2CCOCC2)CCC(Nc2cccc(CC#N)c2)CC1 ZINC001652482612 1195604929 /nfs/dbraw/zinc/60/49/29/1195604929.db2.gz CNLSKEMTDLGCQP-UHFFFAOYSA-N 0 3 313.445 3.198 20 30 DGEDHN CO[C@]1(C)C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC001653642821 1195741254 /nfs/dbraw/zinc/74/12/54/1195741254.db2.gz SOOFZZDHCIHJGY-RHSMWYFYSA-N 0 3 324.371 3.453 20 30 DGEDHN CCC#C[C@H](C)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001655067070 1195872131 /nfs/dbraw/zinc/87/21/31/1195872131.db2.gz VOTYFQNBHQTWQT-SYJJWHGVSA-N 0 3 306.450 3.310 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc(-c2ccccc2C)ns1 ZINC001655612189 1195940690 /nfs/dbraw/zinc/94/06/90/1195940690.db2.gz MIDPVSBHYFNMNA-UHFFFAOYSA-N 0 3 316.474 3.458 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001656077897 1195994545 /nfs/dbraw/zinc/99/45/45/1195994545.db2.gz PTQPGHYKKHYJNB-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001656101843 1196001569 /nfs/dbraw/zinc/00/15/69/1196001569.db2.gz DUQBHSWZGWBEIY-LJQANCHMSA-N 0 3 323.440 3.347 20 30 DGEDHN O=C(CCCC1CC1)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001656153547 1196011019 /nfs/dbraw/zinc/01/10/19/1196011019.db2.gz DHOLKRYQFJGFDB-BGYRXZFFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001656160782 1196011947 /nfs/dbraw/zinc/01/19/47/1196011947.db2.gz SIWTXBLYIIBOIX-INMHGKMJSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001656166449 1196012788 /nfs/dbraw/zinc/01/27/88/1196012788.db2.gz BAJULEASBIAYSQ-MELADBBJSA-N 0 3 324.827 3.166 20 30 DGEDHN CCCCO[C@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC001657256026 1196124298 /nfs/dbraw/zinc/12/42/98/1196124298.db2.gz YEHGKCGXXQEHGG-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN C=CCOCCNCc1c(C)ccc(Br)c1F ZINC001657726740 1196172920 /nfs/dbraw/zinc/17/29/20/1196172920.db2.gz CAPGKMKTGZDBIQ-UHFFFAOYSA-N 0 3 302.187 3.189 20 30 DGEDHN C#C[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(Br)cc1 ZINC001658193022 1196223266 /nfs/dbraw/zinc/22/32/66/1196223266.db2.gz JOMLGTKLAMDHNJ-BPNCWPANSA-N 0 3 310.260 3.465 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C(=O)OC)c(Cl)c2)cc1 ZINC001659251027 1196363290 /nfs/dbraw/zinc/36/32/90/1196363290.db2.gz ZIEKKXYHZZAITD-UHFFFAOYSA-N 0 3 313.784 3.398 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001659802029 1196415964 /nfs/dbraw/zinc/41/59/64/1196415964.db2.gz DVEAYTVYQVFCQP-HXUWFJFHSA-N 0 3 311.425 3.425 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCOCC2)C12CCCCC2 ZINC001660206261 1196457167 /nfs/dbraw/zinc/45/71/67/1196457167.db2.gz PUZPEHHAAAZSRB-HZPDHXFCSA-N 0 3 306.450 3.024 20 30 DGEDHN C#CCC1(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCC1 ZINC001660283576 1196466384 /nfs/dbraw/zinc/46/63/84/1196466384.db2.gz GDNIPNXFGPVVGF-HNNXBMFYSA-N 0 3 320.795 3.120 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1occc1C ZINC001660427105 1196482811 /nfs/dbraw/zinc/48/28/11/1196482811.db2.gz XGUTVXRZFISPEF-UONOGXRCSA-N 0 3 310.825 3.313 20 30 DGEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001660426514 1196482816 /nfs/dbraw/zinc/48/28/16/1196482816.db2.gz QFOAOGISGAZXNH-WBVHZDCISA-N 0 3 316.445 3.331 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1ccccc1 ZINC001660482485 1196488857 /nfs/dbraw/zinc/48/88/57/1196488857.db2.gz RSIZTWROXKMTMJ-UHFFFAOYSA-N 0 3 320.436 3.180 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CO[C@H]2CCCC[C@@H]2CC)CC1 ZINC001660772622 1196522691 /nfs/dbraw/zinc/52/26/91/1196522691.db2.gz VBGWMCKIOUMBOY-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001660991904 1196550650 /nfs/dbraw/zinc/55/06/50/1196550650.db2.gz VLIKFINBWBZRQT-QGZVFWFLSA-N 0 3 311.429 3.215 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cscn2)CC1 ZINC001661082877 1196562746 /nfs/dbraw/zinc/56/27/46/1196562746.db2.gz HTZMMLJSFMZCNW-UHFFFAOYSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001661271561 1196590142 /nfs/dbraw/zinc/59/01/42/1196590142.db2.gz VMRKSFQKONAVMN-XEIOYGOASA-N 0 3 302.462 3.062 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001661290861 1196592006 /nfs/dbraw/zinc/59/20/06/1196592006.db2.gz DGDQQFDTKRSORE-SUMWQHHRSA-N 0 3 320.383 3.109 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCc2cccs2)C1 ZINC001661502239 1196613521 /nfs/dbraw/zinc/61/35/21/1196613521.db2.gz UXAYAUSKROIDAF-JOCQHMNTSA-N 0 3 312.866 3.060 20 30 DGEDHN Cc1csc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1C#N ZINC001661563522 1196620233 /nfs/dbraw/zinc/62/02/33/1196620233.db2.gz CSBGEHACVQXGBB-ZDUSSCGKSA-N 0 3 320.462 3.170 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001661743622 1196638682 /nfs/dbraw/zinc/63/86/82/1196638682.db2.gz PSXNTZZTZJPKTD-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN CCc1cccc(CN2CCCC[C@@H]2CNC(=O)C#CC2CC2)c1 ZINC001661861454 1196653945 /nfs/dbraw/zinc/65/39/45/1196653945.db2.gz OBDCSZVNAFKFPB-HXUWFJFHSA-N 0 3 324.468 3.133 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001661988958 1196672211 /nfs/dbraw/zinc/67/22/11/1196672211.db2.gz HHZVEFIAHVTFFM-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2CCCCCC2)C1 ZINC001662010374 1196674996 /nfs/dbraw/zinc/67/49/96/1196674996.db2.gz LOOJLBNGXPHCBG-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2cc(C)ccc2F)cc1 ZINC001662303664 1196705107 /nfs/dbraw/zinc/70/51/07/1196705107.db2.gz ONTFKIGPADNLLT-OAHLLOKOSA-N 0 3 324.399 3.024 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001662529408 1196727721 /nfs/dbraw/zinc/72/77/21/1196727721.db2.gz DPUJOSMHDSRVKL-KRWDZBQOSA-N 0 3 324.424 3.317 20 30 DGEDHN C[C@H](CCNC(=O)/C=C\C(C)(C)C)NCc1ccccc1C#N ZINC001662898808 1196769856 /nfs/dbraw/zinc/76/98/56/1196769856.db2.gz LHQWBMMCULBTAO-ZHUYAKLQSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001662959648 1196776513 /nfs/dbraw/zinc/77/65/13/1196776513.db2.gz IZPVWTQNYOMBLI-TYWAAFNRSA-N 0 3 311.429 3.065 20 30 DGEDHN COc1ccc(CNCc2ccc3scnc3c2)cc1C#N ZINC001663151418 1196799816 /nfs/dbraw/zinc/79/98/16/1196799816.db2.gz BNGCMOIIVDNZHT-UHFFFAOYSA-N 0 3 309.394 3.466 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001663166879 1196803630 /nfs/dbraw/zinc/80/36/30/1196803630.db2.gz ZGVQMNNAGPKOPT-GOSISDBHSA-N 0 3 316.420 3.055 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C(CC)(CC)c1ccccc1 ZINC001663339806 1196838673 /nfs/dbraw/zinc/83/86/73/1196838673.db2.gz RZLWQKMDIVKSOJ-UHFFFAOYSA-N 0 3 302.462 3.369 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccccc1-n1cccc1)C1CC1 ZINC001663754155 1196940140 /nfs/dbraw/zinc/94/01/40/1196940140.db2.gz UEOOVDLFMDAWLO-UHFFFAOYSA-N 0 3 323.440 3.248 20 30 DGEDHN C#CCCCCC(=O)N(C)CCNCc1ccc(F)c(Cl)c1 ZINC001663891783 1196955634 /nfs/dbraw/zinc/95/56/34/1196955634.db2.gz ZUKHXODZKIEWBQ-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)C(C)(C)C)c1ccccc1 ZINC001664583242 1197017150 /nfs/dbraw/zinc/01/71/50/1197017150.db2.gz JMXKCQKZJFOHNK-RDJZCZTQSA-N 0 3 300.446 3.139 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC001664597748 1197018846 /nfs/dbraw/zinc/01/88/46/1197018846.db2.gz FCVDTDKAZUJYRD-MSOLQXFVSA-N 0 3 310.441 3.037 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C=C2CCCCC2)C1 ZINC001664658430 1197029152 /nfs/dbraw/zinc/02/91/52/1197029152.db2.gz YJIKMKBCJDDSES-SFHVURJKSA-N 0 3 302.462 3.213 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001664673284 1197031346 /nfs/dbraw/zinc/03/13/46/1197031346.db2.gz JGGBFBBSXOVACA-BZSNNMDCSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001664679223 1197033426 /nfs/dbraw/zinc/03/34/26/1197033426.db2.gz UABJSPBQEKPFSB-UONOGXRCSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CN(C)Cc2conc2C)CC1 ZINC001664876442 1197075372 /nfs/dbraw/zinc/07/53/72/1197075372.db2.gz WRBPVABFVZBYKH-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)on1 ZINC001665405776 1197133147 /nfs/dbraw/zinc/13/31/47/1197133147.db2.gz RJHAZOJLYZMURU-ILXRZTDVSA-N 0 3 317.433 3.051 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)CCCCC1 ZINC001665432494 1197136741 /nfs/dbraw/zinc/13/67/41/1197136741.db2.gz CKVBHLQAVTZXSJ-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001665432658 1197136906 /nfs/dbraw/zinc/13/69/06/1197136906.db2.gz GZTNSPVBRBVTQX-FHWLQOOXSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665653930 1197164957 /nfs/dbraw/zinc/16/49/57/1197164957.db2.gz VPBPJFABHVQFFX-QGZVFWFLSA-N 0 3 300.446 3.240 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1ccc(F)c(F)c1 ZINC001665799436 1197198731 /nfs/dbraw/zinc/19/87/31/1197198731.db2.gz SWDAGRJXAPOUJB-AWEZNQCLSA-N 0 3 310.388 3.306 20 30 DGEDHN CCC(=O)NC1(CNCC#Cc2cccc(Cl)c2)CCCC1 ZINC001665897838 1197214042 /nfs/dbraw/zinc/21/40/42/1197214042.db2.gz JNUJGLJHMKNJHC-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccoc2CC)CCCC1 ZINC001665919197 1197216852 /nfs/dbraw/zinc/21/68/52/1197216852.db2.gz PTKCFDJQHJEEPY-UHFFFAOYSA-N 0 3 310.825 3.227 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1nc(C)sc1C ZINC001666600190 1197271654 /nfs/dbraw/zinc/27/16/54/1197271654.db2.gz PMZXXRKNNBJMJA-LBPRGKRZSA-N 0 3 323.506 3.204 20 30 DGEDHN Cc1cccc(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)c1 ZINC001666849305 1197290510 /nfs/dbraw/zinc/29/05/10/1197290510.db2.gz JIJCBLSJOBUZNZ-GOSISDBHSA-N 0 3 320.436 3.097 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001666894138 1197296112 /nfs/dbraw/zinc/29/61/12/1197296112.db2.gz RKGGDRGFSIGREZ-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](NCc1ccccc1F)C(C)C ZINC001667489482 1197353024 /nfs/dbraw/zinc/35/30/24/1197353024.db2.gz VMZRURQEEVCYAQ-GOSISDBHSA-N 0 3 318.436 3.250 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001668843760 1197432401 /nfs/dbraw/zinc/43/24/01/1197432401.db2.gz QLPRVRPJLBRRKO-VOTSOKGWSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1ccc(F)c(F)c1 ZINC001669021532 1197437806 /nfs/dbraw/zinc/43/78/06/1197437806.db2.gz ZLPWXDQFNRWNMI-DKFQHHCZSA-N 0 3 322.399 3.329 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001669376750 1197451572 /nfs/dbraw/zinc/45/15/72/1197451572.db2.gz LWDUCUKDOIRNCG-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN CC(C)[C@H](C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001669411970 1197453938 /nfs/dbraw/zinc/45/39/38/1197453938.db2.gz YZHUQKBCRICGTQ-CABCVRRESA-N 0 3 320.864 3.078 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CCc1ccc(C(C)C)cc1 ZINC001669846535 1197490355 /nfs/dbraw/zinc/49/03/55/1197490355.db2.gz XAAXNEIPDPQMFT-INIZCTEOSA-N 0 3 302.462 3.365 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001670353386 1197533242 /nfs/dbraw/zinc/53/32/42/1197533242.db2.gz WZTGAGPPWXHPRD-UHFFFAOYSA-N 0 3 306.837 3.368 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2ccc(CC)cc2)CC1 ZINC001671436916 1197539796 /nfs/dbraw/zinc/53/97/96/1197539796.db2.gz GLCOSCOEBFNJGT-UHFFFAOYSA-N 0 3 314.473 3.338 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001671437078 1197539851 /nfs/dbraw/zinc/53/98/51/1197539851.db2.gz IKTDACBFKBNLQN-KRWDZBQOSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCN(C(=O)[C@@H](CC)CCCC)C1CCN(CC=C)CC1 ZINC001671455947 1197541259 /nfs/dbraw/zinc/54/12/59/1197541259.db2.gz DKOMBTNGDADFMM-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)CCCc1ccccc1)C1CCN(CC=C)CC1 ZINC001671492264 1197542633 /nfs/dbraw/zinc/54/26/33/1197542633.db2.gz UXKBABSVWQLFNW-UHFFFAOYSA-N 0 3 324.468 3.122 20 30 DGEDHN Cc1ccc(CN2CC[C@](C)(NC(=O)C#CC(C)(C)C)C2)cc1 ZINC001671643608 1197557386 /nfs/dbraw/zinc/55/73/86/1197557386.db2.gz IJFVQOVPBIQGAD-FQEVSTJZSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccnc2C(F)F)C1 ZINC001671891298 1197581019 /nfs/dbraw/zinc/58/10/19/1197581019.db2.gz AFJRJQLYSMDADO-QGZVFWFLSA-N 0 3 323.387 3.037 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001671892759 1197582536 /nfs/dbraw/zinc/58/25/36/1197582536.db2.gz UEXNMGHADSFRNY-IBGZPJMESA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001671913035 1197584941 /nfs/dbraw/zinc/58/49/41/1197584941.db2.gz WZXOYDFSHZHMTO-KXBFYZLASA-N 0 3 318.436 3.334 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)cc2OC)C1 ZINC001671912835 1197585141 /nfs/dbraw/zinc/58/51/41/1197585141.db2.gz TWCLWEXUGHGXLR-LJQANCHMSA-N 0 3 316.445 3.022 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(CC)CC1)c1ccccc1CC ZINC001672176627 1197594933 /nfs/dbraw/zinc/59/49/33/1197594933.db2.gz LSRAQGWYISIOJP-GOSISDBHSA-N 0 3 312.457 3.209 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001672389086 1197609112 /nfs/dbraw/zinc/60/91/12/1197609112.db2.gz XGCDOALIDPDOCP-IBGZPJMESA-N 0 3 324.468 3.208 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001672509749 1197614118 /nfs/dbraw/zinc/61/41/18/1197614118.db2.gz QGVGQFAOTILCAA-FGTMMUONSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)C(C)(C)C)cc1 ZINC001672937139 1197629432 /nfs/dbraw/zinc/62/94/32/1197629432.db2.gz HTNKZOLIKSJPQM-LSDHHAIUSA-N 0 3 300.446 3.269 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2(C)CC=CC2)cc1 ZINC001672943713 1197629967 /nfs/dbraw/zinc/62/99/67/1197629967.db2.gz QJNRECDWMIXFJJ-MRXNPFEDSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC(CC)CC)cc1 ZINC001672943273 1197630182 /nfs/dbraw/zinc/63/01/82/1197630182.db2.gz KPLHEUPUCBQLNX-HNNXBMFYSA-N 0 3 300.446 3.413 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001673013586 1197634681 /nfs/dbraw/zinc/63/46/81/1197634681.db2.gz UHLMSFKGRLNDHJ-GTBONMDNSA-N 0 3 310.869 3.266 20 30 DGEDHN C#CCC1(C(=O)NCC2(NC[C@@H](F)CC)CCC2)CCCCC1 ZINC001673242070 1197646970 /nfs/dbraw/zinc/64/69/70/1197646970.db2.gz NQIHZONZFSFNLA-INIZCTEOSA-N 0 3 322.468 3.337 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CCCC#CC)cc2C1 ZINC001673764602 1197691141 /nfs/dbraw/zinc/69/11/41/1197691141.db2.gz BAMPFJMRERFZDS-UHFFFAOYSA-N 0 3 310.441 3.388 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1nc(C)sc1C ZINC001674220966 1197748171 /nfs/dbraw/zinc/74/81/71/1197748171.db2.gz TULKRSQVJZLUAF-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)Cc1ccco1 ZINC001674271958 1197756231 /nfs/dbraw/zinc/75/62/31/1197756231.db2.gz PCMHLDXJDWFQBR-IBGZPJMESA-N 0 3 324.424 3.114 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001674480432 1197783114 /nfs/dbraw/zinc/78/31/14/1197783114.db2.gz HJKLDOWOMJWUAQ-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(F)c1Cl ZINC001674486255 1197785529 /nfs/dbraw/zinc/78/55/29/1197785529.db2.gz GSIMCQUJOAGZPC-GFCCVEGCSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cccc(C(C)C)n1 ZINC001674641127 1197816598 /nfs/dbraw/zinc/81/65/98/1197816598.db2.gz RZUXSLPXSYJGEF-HUUCEWRRSA-N 0 3 303.450 3.154 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(C(C)C)n1 ZINC001674641125 1197818128 /nfs/dbraw/zinc/81/81/28/1197818128.db2.gz RZUXSLPXSYJGEF-CABCVRRESA-N 0 3 303.450 3.154 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001674667175 1197828491 /nfs/dbraw/zinc/82/84/91/1197828491.db2.gz OYCAHBXEXMQXQH-STQMWFEESA-N 0 3 321.490 3.429 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001674674958 1197829920 /nfs/dbraw/zinc/82/99/20/1197829920.db2.gz ZNTWJXGGWBBRPM-RYUDHWBXSA-N 0 3 309.479 3.099 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001674736118 1197853949 /nfs/dbraw/zinc/85/39/49/1197853949.db2.gz UMBXJLYSGNMWGP-VXGBXAGGSA-N 0 3 323.506 3.345 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1)CC ZINC001674912991 1197916485 /nfs/dbraw/zinc/91/64/85/1197916485.db2.gz LHBZUGULDKYQAO-OAHLLOKOSA-N 0 3 313.445 3.241 20 30 DGEDHN CCC(=O)N(C)CC[C@H](NCc1cc(F)ccc1C#N)C(C)C ZINC001675115720 1197986953 /nfs/dbraw/zinc/98/69/53/1197986953.db2.gz WTVNIQQWOJLNAG-KRWDZBQOSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001675188792 1198001575 /nfs/dbraw/zinc/00/15/75/1198001575.db2.gz VVCGVMSQDFELHC-QGZVFWFLSA-N 0 3 317.477 3.061 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001675322833 1198043424 /nfs/dbraw/zinc/04/34/24/1198043424.db2.gz QGHCBDBHCRCOSY-CYBMUJFWSA-N 0 3 314.420 3.215 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001675468307 1198074240 /nfs/dbraw/zinc/07/42/40/1198074240.db2.gz RYKOEGAORWESHR-GOSISDBHSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2sccc2C)C(C)(C)C1 ZINC001675480429 1198077981 /nfs/dbraw/zinc/07/79/81/1198077981.db2.gz PLVYPYQGAWZUNM-MRXNPFEDSA-N 0 3 320.502 3.392 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CN(CCCF)CC2(C)C)CCCC1 ZINC001675492499 1198080640 /nfs/dbraw/zinc/08/06/40/1198080640.db2.gz JDBCRNVGBBNOTA-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(F)s1 ZINC001676029658 1198200053 /nfs/dbraw/zinc/20/00/53/1198200053.db2.gz LCGJBJQLDDUSFQ-SNVBAGLBSA-N 0 3 304.818 3.128 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)s1 ZINC001676342053 1198295813 /nfs/dbraw/zinc/29/58/13/1198295813.db2.gz OIACZMIBMKSNER-GFCCVEGCSA-N 0 3 312.866 3.142 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(F)c1 ZINC001676355019 1198300003 /nfs/dbraw/zinc/30/00/03/1198300003.db2.gz FJRNMSVJFCMWSP-ZDUSSCGKSA-N 0 3 310.388 3.258 20 30 DGEDHN C[C@@H](CN(C)C(=O)C[C@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001676402299 1198313801 /nfs/dbraw/zinc/31/38/01/1198313801.db2.gz VJCPEXCJCSCLPU-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001676461198 1198325721 /nfs/dbraw/zinc/32/57/21/1198325721.db2.gz GEZUJLNMZSUGID-OAHLLOKOSA-N 0 3 312.413 3.123 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC001676528462 1198342140 /nfs/dbraw/zinc/34/21/40/1198342140.db2.gz RRGXXHDHGVYDKL-UHFFFAOYSA-N 0 3 313.401 3.126 20 30 DGEDHN CCC(=CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C)CC ZINC001676639057 1198355326 /nfs/dbraw/zinc/35/53/26/1198355326.db2.gz DHLAHOZXFZODNH-FXAWDEMLSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001676667374 1198361299 /nfs/dbraw/zinc/36/12/99/1198361299.db2.gz DQPXMTVALVQIGA-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(C)ccc2F)C[C@H]1C ZINC001676715866 1198371273 /nfs/dbraw/zinc/37/12/73/1198371273.db2.gz OCNICFBINVGFCK-GDBMZVCRSA-N 0 3 304.409 3.179 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(C)ccc2F)C[C@@H]1C ZINC001676715868 1198371440 /nfs/dbraw/zinc/37/14/40/1198371440.db2.gz OCNICFBINVGFCK-GOEBONIOSA-N 0 3 304.409 3.179 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(C)(F)F)[C@H]1C ZINC001676895136 1198425846 /nfs/dbraw/zinc/42/58/46/1198425846.db2.gz WDVVGGWZGAYBCK-OLZOCXBDSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCOCC)[C@H]2C)CCCC1 ZINC001676898839 1198428243 /nfs/dbraw/zinc/42/82/43/1198428243.db2.gz SJIPJGGXWPSUPO-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC=C)CCCC2)[C@H]1C ZINC001676898796 1198429237 /nfs/dbraw/zinc/42/92/37/1198429237.db2.gz RKNRPGDJRZTNQD-IAGOWNOFSA-N 0 3 302.462 3.115 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001677342061 1198519606 /nfs/dbraw/zinc/51/96/06/1198519606.db2.gz MMELKASIXUVYBG-AEFFLSMTSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2c(C)nsc2C)C1 ZINC001677419326 1198531059 /nfs/dbraw/zinc/53/10/59/1198531059.db2.gz JBNGSALKRTYVJZ-UHFFFAOYSA-N 0 3 321.490 3.051 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H](CC)C(C)C)C1 ZINC001677440972 1198536589 /nfs/dbraw/zinc/53/65/89/1198536589.db2.gz ADYCCXXVHDWFIY-NFOMZHRRSA-N 0 3 300.874 3.390 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC001677467393 1198541373 /nfs/dbraw/zinc/54/13/73/1198541373.db2.gz KJQAYTYAIBGZAZ-DLBZAZTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC001681791744 1199081749 /nfs/dbraw/zinc/08/17/49/1199081749.db2.gz XAOJOCUFFBMUAU-SJORKVTESA-N 0 3 307.482 3.391 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001682423463 1199161364 /nfs/dbraw/zinc/16/13/64/1199161364.db2.gz OISJFSFWHGPTDD-NVXWUHKLSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001682423464 1199161504 /nfs/dbraw/zinc/16/15/04/1199161504.db2.gz OISJFSFWHGPTDD-RDJZCZTQSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC(C)C ZINC001682683597 1199184690 /nfs/dbraw/zinc/18/46/90/1199184690.db2.gz MQLSMSSIRLQEFN-IRXDYDNUSA-N 0 3 309.498 3.351 20 30 DGEDHN C=CCC1(CNC(=O)NC[C@H]2CCCCN2C2CC2)CCCC1 ZINC001686387560 1199561343 /nfs/dbraw/zinc/56/13/43/1199561343.db2.gz WBHOLBMZYPRJMQ-QGZVFWFLSA-N 0 3 319.493 3.439 20 30 DGEDHN Cc1cc(C)c(C#N)c(O[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000302975981 1199567376 /nfs/dbraw/zinc/56/73/76/1199567376.db2.gz CAKDPKQCTFPWMM-KRWDZBQOSA-N 0 3 307.397 3.223 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001688895288 1199948264 /nfs/dbraw/zinc/94/82/64/1199948264.db2.gz DXLUFYPDSIMLOT-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN C=C[C@@H](C(=O)N(C)C[C@@H]1CCN1CCCC)c1ccccc1 ZINC001688896487 1199948812 /nfs/dbraw/zinc/94/88/12/1199948812.db2.gz FLHMBSUSMYOFLY-ZWKOTPCHSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(C)CC(F)(F)C2)C1 ZINC001689014866 1199992351 /nfs/dbraw/zinc/99/23/51/1199992351.db2.gz SXFHTWWTLHGJDN-NWDGAFQWSA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C(CC=C)CC=C)C2)CC1 ZINC001689026316 1199996418 /nfs/dbraw/zinc/99/64/18/1199996418.db2.gz LXZMCMXPISOHKJ-QGZVFWFLSA-N 0 3 314.473 3.091 20 30 DGEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)CCC1CCC1 ZINC001753955427 1200047832 /nfs/dbraw/zinc/04/78/32/1200047832.db2.gz AORMJUAAHITNNI-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C/C=C/c1ccccc1 ZINC001689172790 1200052035 /nfs/dbraw/zinc/05/20/35/1200052035.db2.gz YWEJAIXOJATELR-XCBOUCJHSA-N 0 3 322.452 3.082 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(F)c(Cl)c1 ZINC001753994464 1200063962 /nfs/dbraw/zinc/06/39/62/1200063962.db2.gz UUAUSEWWZMTUSQ-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001754004052 1200068848 /nfs/dbraw/zinc/06/88/48/1200068848.db2.gz SCPLYMMKRWCQFW-WCVJEAGWSA-N 0 3 312.885 3.440 20 30 DGEDHN CC(C)C(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001689256322 1200070514 /nfs/dbraw/zinc/07/05/14/1200070514.db2.gz GAKXNMZBFCDIRM-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCc2sc(CNCCCC)nc2C1 ZINC001689357193 1200107472 /nfs/dbraw/zinc/10/74/72/1200107472.db2.gz MCPHBAXLFBDPFE-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cncs2)CC(C)(C)C1 ZINC001689360575 1200111508 /nfs/dbraw/zinc/11/15/08/1200111508.db2.gz QPWKVDXNWPXSPR-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001754284748 1200172141 /nfs/dbraw/zinc/17/21/41/1200172141.db2.gz SRLBQCUBMCZUSG-HNNXBMFYSA-N 0 3 318.461 3.200 20 30 DGEDHN CCC1(C(=O)N[C@H](C)CN(C)Cc2cccc(C#N)c2)CCC1 ZINC001754321652 1200209612 /nfs/dbraw/zinc/20/96/12/1200209612.db2.gz PEAFCEXTUHIYSV-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001754324568 1200213421 /nfs/dbraw/zinc/21/34/21/1200213421.db2.gz AIZWHDVCZPDLJW-WMZOPIPTSA-N 0 3 302.462 3.124 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001754493268 1200306651 /nfs/dbraw/zinc/30/66/51/1200306651.db2.gz TYUFVOXLYHRYIT-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cccc(Cl)c1 ZINC001754493253 1200307279 /nfs/dbraw/zinc/30/72/79/1200307279.db2.gz TWEDFNNZSVIAOX-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001754493240 1200307491 /nfs/dbraw/zinc/30/74/91/1200307491.db2.gz SSGRUAMQYSKUMP-ZIAGYGMSSA-N 0 3 322.399 3.432 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001689886026 1200313665 /nfs/dbraw/zinc/31/36/65/1200313665.db2.gz DZQOZQGJRUZERJ-PKOBYXMFSA-N 0 3 314.473 3.278 20 30 DGEDHN C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001689895800 1200318447 /nfs/dbraw/zinc/31/84/47/1200318447.db2.gz CDKTXDMBGDZXMI-DOTOQJQBSA-N 0 3 316.445 3.331 20 30 DGEDHN CC(C)=CC(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001689897520 1200321104 /nfs/dbraw/zinc/32/11/04/1200321104.db2.gz ZKRYWSHAOQKIKU-ICSRJNTNSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001754506153 1200323708 /nfs/dbraw/zinc/32/37/08/1200323708.db2.gz XNGBBBDGXGJRLU-IAGOWNOFSA-N 0 3 300.446 3.255 20 30 DGEDHN CC(C(=O)NCC1(NCc2ccc(C#N)cc2)CC1)=C1CCCC1 ZINC001754510618 1200326404 /nfs/dbraw/zinc/32/64/04/1200326404.db2.gz MQSNVMPKPPZLPN-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2cccc(C(F)F)c2)CC1 ZINC001754512597 1200328754 /nfs/dbraw/zinc/32/87/54/1200328754.db2.gz PINHTIWJUWTPMO-UHFFFAOYSA-N 0 3 320.383 3.166 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001754561774 1200365265 /nfs/dbraw/zinc/36/52/65/1200365265.db2.gz DELQCHLOQXBRQE-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](CCCCC)C(C)C)C2)C1 ZINC001754567501 1200367659 /nfs/dbraw/zinc/36/76/59/1200367659.db2.gz NWTHIPOFKYNDAY-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN(CCCNC(=O)C/C=C/c1ccc(C)cc1)C1CC1 ZINC001690016157 1200368535 /nfs/dbraw/zinc/36/85/35/1200368535.db2.gz LSYHMMOWYGCYBD-GQCTYLIASA-N 0 3 310.441 3.002 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCCCC)C(C)C)C2)C1 ZINC001754567499 1200368776 /nfs/dbraw/zinc/36/87/76/1200368776.db2.gz NWTHIPOFKYNDAY-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](CCCCC)C(C)C)C2)C1 ZINC001754567500 1200368997 /nfs/dbraw/zinc/36/89/97/1200368997.db2.gz NWTHIPOFKYNDAY-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001690046657 1200381808 /nfs/dbraw/zinc/38/18/08/1200381808.db2.gz NZEFNTHSTVKRMU-PKOBYXMFSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2nc(C)sc2C)C[C@@H]1C ZINC001754588607 1200383727 /nfs/dbraw/zinc/38/37/27/1200383727.db2.gz AZIBPFHCFPSFHJ-SWLSCSKDSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001690105736 1200401819 /nfs/dbraw/zinc/40/18/19/1200401819.db2.gz WGHJATILFOMKIC-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCN(C(=O)CC1CCCCC1)C1CCN(CC=C)CC1 ZINC001754634219 1200408078 /nfs/dbraw/zinc/40/80/78/1200408078.db2.gz LQCQQBUBSGWKGH-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)[C@H](C)c1ccccc1C)C1CCN(CC=C)CC1 ZINC001754643271 1200412060 /nfs/dbraw/zinc/41/20/60/1200412060.db2.gz RCLPLXDKXCXZER-GOSISDBHSA-N 0 3 324.468 3.211 20 30 DGEDHN CC(C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CCCC1 ZINC001754646284 1200413031 /nfs/dbraw/zinc/41/30/31/1200413031.db2.gz LEWBEZDCMMFDOA-MRXNPFEDSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H](C)n2cccc2)CC1 ZINC001690138449 1200416046 /nfs/dbraw/zinc/41/60/46/1200416046.db2.gz CZCBCECVZKUOIO-QGZVFWFLSA-N 0 3 317.477 3.328 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001690192977 1200446041 /nfs/dbraw/zinc/44/60/41/1200446041.db2.gz UGVUSKRHWZVMMX-QJWNTBNXSA-N 0 3 324.896 3.493 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001754686027 1200446251 /nfs/dbraw/zinc/44/62/51/1200446251.db2.gz XOIWUNXUOXAZQP-FXAWDEMLSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001754729829 1200474683 /nfs/dbraw/zinc/47/46/83/1200474683.db2.gz RUIVOQUKHXYGLP-IBGZPJMESA-N 0 3 317.477 3.395 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1CC ZINC001754785437 1200488060 /nfs/dbraw/zinc/48/80/60/1200488060.db2.gz MAWCJCJXCFMYPE-IAGOWNOFSA-N 0 3 306.425 3.176 20 30 DGEDHN C#CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001690309242 1200492525 /nfs/dbraw/zinc/49/25/25/1200492525.db2.gz SLUKCXARYYHPIL-VGUPEUFASA-N 0 3 322.880 3.434 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001690352269 1200507549 /nfs/dbraw/zinc/50/75/49/1200507549.db2.gz XUIVHFJQKRTTIL-OKILXGFUSA-N 0 3 324.827 3.428 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC(C)(C)C1CC1 ZINC001754837760 1200515660 /nfs/dbraw/zinc/51/56/60/1200515660.db2.gz RLPFULJRJHCXJW-UHFFFAOYSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001754903373 1200532641 /nfs/dbraw/zinc/53/26/41/1200532641.db2.gz YDCDVJAKFPXPDC-HNNXBMFYSA-N 0 3 306.837 3.189 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC001754946887 1200548980 /nfs/dbraw/zinc/54/89/80/1200548980.db2.gz ARPUQOUEVZNNNZ-OAOYMFHYSA-N 0 3 310.441 3.023 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC23CCCC3)cc1 ZINC001754949075 1200551011 /nfs/dbraw/zinc/55/10/11/1200551011.db2.gz VQYKIQXQTJICKM-MAUKXSAKSA-N 0 3 310.441 3.167 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C/c2ccco2)cc1 ZINC001754954325 1200554319 /nfs/dbraw/zinc/55/43/19/1200554319.db2.gz QONQSIOVMLQHBO-LPQFERQCSA-N 0 3 322.408 3.283 20 30 DGEDHN C=CCCCCCN1CCCC[C@@H]1CNC(=O)c1cncs1 ZINC001690441112 1200558023 /nfs/dbraw/zinc/55/80/23/1200558023.db2.gz RYTWGXQWGOOPRB-OAHLLOKOSA-N 0 3 321.490 3.474 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@H](CC)c3ccccc3)C2)CC1 ZINC001754962699 1200559904 /nfs/dbraw/zinc/55/99/04/1200559904.db2.gz LIKZATMUVXOAIO-SFHVURJKSA-N 0 3 324.468 3.128 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc3sccc3c2)CCC1 ZINC001754990025 1200575518 /nfs/dbraw/zinc/57/55/18/1200575518.db2.gz AAZJIXYFJFRRGZ-UHFFFAOYSA-N 0 3 312.438 3.167 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001755114101 1200642035 /nfs/dbraw/zinc/64/20/35/1200642035.db2.gz OZSMBNHNGRLAPT-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(C)(NCc2oc(C)nc2C)CC1 ZINC001755129155 1200648456 /nfs/dbraw/zinc/64/84/56/1200648456.db2.gz GGFNRIVVXNCGNW-UHFFFAOYSA-N 0 3 319.449 3.118 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001690616238 1200650634 /nfs/dbraw/zinc/65/06/34/1200650634.db2.gz FKYFADPMBVJJIS-YVEFUNNKSA-N 0 3 322.399 3.403 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2ccns2)[C@@H](C)C1 ZINC001755159290 1200666831 /nfs/dbraw/zinc/66/68/31/1200666831.db2.gz FWWQMLJIMKXQOK-GJZGRUSLSA-N 0 3 321.490 3.011 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001755172600 1200677932 /nfs/dbraw/zinc/67/79/32/1200677932.db2.gz UYZQIUFCVZRXJI-IBGZPJMESA-N 0 3 324.468 3.162 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cncc2sccc21 ZINC001755197969 1200694667 /nfs/dbraw/zinc/69/46/67/1200694667.db2.gz QVUGORXDUXGGEN-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCCC(=O)NC1CC(CNCc2ccc(F)cc2Cl)C1 ZINC001755207470 1200703787 /nfs/dbraw/zinc/70/37/87/1200703787.db2.gz YGLKCLXQMNNNQV-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001755277642 1200758855 /nfs/dbraw/zinc/75/88/55/1200758855.db2.gz PEDUHIJLWJUNBM-HNNXBMFYSA-N 0 3 318.461 3.435 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)C1CCC1 ZINC001755281446 1200759975 /nfs/dbraw/zinc/75/99/75/1200759975.db2.gz KHRVDJWVNHFNID-CYBMUJFWSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1coc(C)c1 ZINC001690894874 1200774361 /nfs/dbraw/zinc/77/43/61/1200774361.db2.gz FWGBRQUNYXTRDU-OAHLLOKOSA-N 0 3 310.825 3.315 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)[C@H](C)c1cccc(Cl)c1 ZINC001755299501 1200780343 /nfs/dbraw/zinc/78/03/43/1200780343.db2.gz VLZIICKRNVGVAI-HUUCEWRRSA-N 0 3 320.864 3.497 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001691810841 1200818197 /nfs/dbraw/zinc/81/81/97/1200818197.db2.gz NNONLBXEJRUQEO-OBJOEFQTSA-N 0 3 312.866 3.089 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCOC ZINC001691828430 1200825997 /nfs/dbraw/zinc/82/59/97/1200825997.db2.gz NDCHTROTHHYNDE-CALCHBBNSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001691860399 1200841764 /nfs/dbraw/zinc/84/17/64/1200841764.db2.gz GCPDZSNVAMPNHR-ZDUSSCGKSA-N 0 3 309.841 3.171 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001691860398 1200842390 /nfs/dbraw/zinc/84/23/90/1200842390.db2.gz GCPDZSNVAMPNHR-CYBMUJFWSA-N 0 3 309.841 3.171 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001691861395 1200842563 /nfs/dbraw/zinc/84/25/63/1200842563.db2.gz WDFBZWHINSAKDE-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001755384282 1200868135 /nfs/dbraw/zinc/86/81/35/1200868135.db2.gz NWUURENSIPTQBO-IRXDYDNUSA-N 0 3 314.473 3.268 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001755389613 1200871365 /nfs/dbraw/zinc/87/13/65/1200871365.db2.gz AFOQIYPJVKEDEX-APWZRJJASA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001691928473 1200878537 /nfs/dbraw/zinc/87/85/37/1200878537.db2.gz JMSUAKRWBHSWNN-QXAKKESOSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCCC(=O)N1CC2(C[C@H]1C)CCN(C[C@H](F)CC)CC2 ZINC001691960240 1200886262 /nfs/dbraw/zinc/88/62/62/1200886262.db2.gz NNHJTHJKIWMJPP-IAGOWNOFSA-N 0 3 322.468 3.241 20 30 DGEDHN CCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1ccccc1C#N ZINC001691981534 1200896242 /nfs/dbraw/zinc/89/62/42/1200896242.db2.gz CEOUHEGMNKKNHP-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCC1(C(=O)NCC2[C@H]3CN(C/C=C\Cl)C[C@@H]23)CCCC1 ZINC001755439643 1200897460 /nfs/dbraw/zinc/89/74/60/1200897460.db2.gz OSFNBXRZDJCQGK-KRJFPOBHSA-N 0 3 322.880 3.169 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)[C@H]1CC ZINC001692031295 1200916337 /nfs/dbraw/zinc/91/63/37/1200916337.db2.gz XNPHEQDOIJVXJQ-JCGIZDLHSA-N 0 3 318.436 3.159 20 30 DGEDHN CC1(C(=O)N2CCCCC[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001692117805 1200937099 /nfs/dbraw/zinc/93/70/99/1200937099.db2.gz BPMLVBSRECUNCQ-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C[C@H](CN(C)C(=O)C1CC2(CCC2)C1)NCC#Cc1ccccc1 ZINC001755601288 1200980901 /nfs/dbraw/zinc/98/09/01/1200980901.db2.gz JYQPPWIYKFFAOF-QGZVFWFLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccnc(C2CC2)c1 ZINC001692255141 1200989677 /nfs/dbraw/zinc/98/96/77/1200989677.db2.gz YZQNGFFNDMANOE-KRWDZBQOSA-N 0 3 313.445 3.072 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H](C)NC/C=C/Cl)CCCCC1 ZINC001755619704 1200995488 /nfs/dbraw/zinc/99/54/88/1200995488.db2.gz ZHJNEDXQMJOTQR-JQVXPOPVSA-N 0 3 310.869 3.149 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@@H]1C ZINC001755652046 1200997908 /nfs/dbraw/zinc/99/79/08/1200997908.db2.gz OYHGMLRRJYCYQM-XJKSGUPXSA-N 0 3 306.837 3.385 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C[C@H](C)c2ccco2)CC(C)(C)C1 ZINC001692280085 1201001470 /nfs/dbraw/zinc/00/14/70/1201001470.db2.gz OFBFHTYTVGFYRO-JKSUJKDBSA-N 0 3 316.445 3.013 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc(C)ccc2OC)C[C@H]1C ZINC001755673531 1201007981 /nfs/dbraw/zinc/00/79/81/1201007981.db2.gz PKTZBLUUDNQHOB-WBVHZDCISA-N 0 3 316.445 3.049 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C(C)C ZINC001692380232 1201046794 /nfs/dbraw/zinc/04/67/94/1201046794.db2.gz MGVRBHCZSURDLI-KKUMJFAQSA-N 0 3 317.433 3.051 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@@H]1CC(C)(C)CO1)C(C)C ZINC001755813395 1201076577 /nfs/dbraw/zinc/07/65/77/1201076577.db2.gz OXNHLLSHHITXQB-KRWDZBQOSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001755818469 1201085737 /nfs/dbraw/zinc/08/57/37/1201085737.db2.gz MVYJNXNZLXNVOU-WMLDXEAASA-N 0 3 318.461 3.481 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)C2CCC2)c(F)c1 ZINC001755901649 1201127642 /nfs/dbraw/zinc/12/76/42/1201127642.db2.gz YTXPXUCNJWNOSE-ZDUSSCGKSA-N 0 3 304.409 3.154 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001698551933 1201220207 /nfs/dbraw/zinc/22/02/07/1201220207.db2.gz WMHXQZOVUWPRHX-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001698554064 1201224604 /nfs/dbraw/zinc/22/46/04/1201224604.db2.gz RGJZRRHDPBBAIY-LSDHHAIUSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCCCCC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001698586306 1201260556 /nfs/dbraw/zinc/26/05/56/1201260556.db2.gz VOSKTWNBNBSFGY-GOSISDBHSA-N 0 3 304.478 3.459 20 30 DGEDHN CC[C@H](CNC(=O)c1cc(C)oc1C)NCC#Cc1ccccc1 ZINC001698591656 1201265893 /nfs/dbraw/zinc/26/58/93/1201265893.db2.gz TWOCTLGIRZJWRT-GOSISDBHSA-N 0 3 324.424 3.046 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001698611538 1201281850 /nfs/dbraw/zinc/28/18/50/1201281850.db2.gz ZHPVBDNPDVJTDU-BLXFFLACSA-N 0 3 317.458 3.127 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1ccnc(Cl)c1 ZINC001698614303 1201284761 /nfs/dbraw/zinc/28/47/61/1201284761.db2.gz ZHYGWQTZSGDNLF-YOEHRIQHSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2cncc(F)c2)CCCC1 ZINC001698635125 1201300817 /nfs/dbraw/zinc/30/08/17/1201300817.db2.gz YQBAPHQMJZKJDF-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1(CNCc2conc2C)CCCC1 ZINC001698636251 1201301999 /nfs/dbraw/zinc/30/19/99/1201301999.db2.gz IKTXVLNOPFNQDV-HNNXBMFYSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001698647356 1201309471 /nfs/dbraw/zinc/30/94/71/1201309471.db2.gz OIEKSLZVTDTZLQ-GOEBONIOSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H](C)c1ccco1)C1CC1 ZINC001698653130 1201317449 /nfs/dbraw/zinc/31/74/49/1201317449.db2.gz OEEVTYPYAJICOQ-SJKOYZFVSA-N 0 3 324.852 3.400 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc[nH]c1C(C)C)C1CC1 ZINC001698678406 1201330795 /nfs/dbraw/zinc/33/07/95/1201330795.db2.gz XYEGTMXCCIZNST-QGZVFWFLSA-N 0 3 323.868 3.379 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H]2CC=CCC2)cc1 ZINC001698716191 1201354905 /nfs/dbraw/zinc/35/49/05/1201354905.db2.gz FETMFIVZHDGPEI-KRWDZBQOSA-N 0 3 310.441 3.162 20 30 DGEDHN Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)C#CC(C)(C)C)c1 ZINC001698820513 1201470359 /nfs/dbraw/zinc/47/03/59/1201470359.db2.gz IABUUPIJKAJGPK-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001698853306 1201509684 /nfs/dbraw/zinc/50/96/84/1201509684.db2.gz XMVJLQXMROCXDK-MJGOQNOKSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)C(C)C ZINC001698970249 1201624844 /nfs/dbraw/zinc/62/48/44/1201624844.db2.gz HCOJOIXJQHKVJM-INIZCTEOSA-N 0 3 319.836 3.264 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001698993378 1201660062 /nfs/dbraw/zinc/66/00/62/1201660062.db2.gz FUDKVHCJVXOZGN-VXGBXAGGSA-N 0 3 312.866 3.081 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1coc2ccc(CC)cc21 ZINC001699003438 1201675170 /nfs/dbraw/zinc/67/51/70/1201675170.db2.gz WPCFQBOHKQALAR-UHFFFAOYSA-N 0 3 300.402 3.185 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1coc2cc(C)ccc12 ZINC001699004354 1201675297 /nfs/dbraw/zinc/67/52/97/1201675297.db2.gz IVXVQYYNBFMBKZ-UHFFFAOYSA-N 0 3 314.429 3.250 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@H]2CC[C@H](C)O2)CCCC1 ZINC001699006653 1201677455 /nfs/dbraw/zinc/67/74/55/1201677455.db2.gz RXZYBOVRXGJXOV-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCNCc1nsc2ccccc12 ZINC001699086679 1201710254 /nfs/dbraw/zinc/71/02/54/1201710254.db2.gz BPIGSUHLEQJAHT-CYBMUJFWSA-N 0 3 317.458 3.247 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ncc(C)s1 ZINC001699125651 1201720998 /nfs/dbraw/zinc/72/09/98/1201720998.db2.gz GLEXPGZCDHCMJK-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C#CCC1(C(=O)N(CC)CCNC/C=C/Cl)CCCCC1 ZINC001699220913 1201761215 /nfs/dbraw/zinc/76/12/15/1201761215.db2.gz VAMPQDMLTPIMHH-XYOKQWHBSA-N 0 3 310.869 3.151 20 30 DGEDHN C=CCCC(=O)NC/C=C\CNCc1ccc(Cl)cc1C ZINC001699238474 1201767360 /nfs/dbraw/zinc/76/73/60/1201767360.db2.gz LNBFSUQFIAJLPV-WAYWQWQTSA-N 0 3 306.837 3.377 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001752144864 1201786326 /nfs/dbraw/zinc/78/63/26/1201786326.db2.gz YNFWWSPYNLXWSB-HOCLYGCPSA-N 0 3 321.852 3.115 20 30 DGEDHN CCN(CCCNC(=O)C1=CCCC1)Cc1ccc(C#N)s1 ZINC001752171642 1201792493 /nfs/dbraw/zinc/79/24/93/1201792493.db2.gz DVUJOSGJLAANDV-UHFFFAOYSA-N 0 3 317.458 3.058 20 30 DGEDHN CC[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001699358914 1201809207 /nfs/dbraw/zinc/80/92/07/1201809207.db2.gz AGFQFZMNZISTCX-HUUCEWRRSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001699363854 1201813056 /nfs/dbraw/zinc/81/30/56/1201813056.db2.gz NGITWPJGZKCBMD-OAHLLOKOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CC2(c3ccccc3)CC2)CC1 ZINC001752301934 1201823995 /nfs/dbraw/zinc/82/39/95/1201823995.db2.gz UWSWVVKSMILCBB-UHFFFAOYSA-N 0 3 312.457 3.217 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001699378716 1201825301 /nfs/dbraw/zinc/82/53/01/1201825301.db2.gz PEAVKFPQZQQVSE-OLZOCXBDSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001752310005 1201829335 /nfs/dbraw/zinc/82/93/35/1201829335.db2.gz DUYLZGWQYJNPEF-KRWDZBQOSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001699397843 1201838124 /nfs/dbraw/zinc/83/81/24/1201838124.db2.gz XYPILPLFHPCUBX-ZBEGNZNMSA-N 0 3 308.372 3.013 20 30 DGEDHN CC1(CCC(=O)NC[C@H](NCC#Cc2ccccc2)C2CC2)CC1 ZINC001752491937 1201852516 /nfs/dbraw/zinc/85/25/16/1201852516.db2.gz WESSGHWIYYOEPU-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)Cc2scnc2C)C1 ZINC001752505286 1201858207 /nfs/dbraw/zinc/85/82/07/1201858207.db2.gz YCFNIEDJMYSJCK-HNNXBMFYSA-N 0 3 321.490 3.088 20 30 DGEDHN CC1=CC[C@@](C)(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)CC1 ZINC001699433279 1201863965 /nfs/dbraw/zinc/86/39/65/1201863965.db2.gz YNIMVZAGOGEJQX-GHTZIAJQSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cc(F)cc2F ZINC001699441364 1201875711 /nfs/dbraw/zinc/87/57/11/1201875711.db2.gz FFASDOZWPGAXDR-SJKOYZFVSA-N 0 3 322.399 3.355 20 30 DGEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1CCC=CCC1 ZINC001752773940 1201913658 /nfs/dbraw/zinc/91/36/58/1201913658.db2.gz DUOUKUDSZTUHNB-BGYRXZFFSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2cnccc2C)C1 ZINC001752786379 1201921003 /nfs/dbraw/zinc/92/10/03/1201921003.db2.gz RBMMRKCDEIKUHE-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001752841067 1201964702 /nfs/dbraw/zinc/96/47/02/1201964702.db2.gz OFGUMBFYRABURZ-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001699620908 1201984611 /nfs/dbraw/zinc/98/46/11/1201984611.db2.gz FNYLMLZTKGKFTN-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001699624796 1201986029 /nfs/dbraw/zinc/98/60/29/1201986029.db2.gz WIOHVSSQWXVFMA-ZFWWWQNUSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001699632909 1201999321 /nfs/dbraw/zinc/99/93/21/1201999321.db2.gz KHMLKIHJISXOPF-CJNGLKHVSA-N 0 3 306.837 3.210 20 30 DGEDHN CC(C)=CC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001752965458 1202026902 /nfs/dbraw/zinc/02/69/02/1202026902.db2.gz PQRYYRKDUHPHDM-ZWKOTPCHSA-N 0 3 311.429 3.041 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(CC)CC ZINC001699684066 1202033170 /nfs/dbraw/zinc/03/31/70/1202033170.db2.gz NJTIEWHLOVDLKA-NXHRZFHOSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001753000935 1202050828 /nfs/dbraw/zinc/05/08/28/1202050828.db2.gz WNFQKCMLGXQESY-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2oc(C)nc2C)C[C@@H]1C ZINC001699735385 1202060030 /nfs/dbraw/zinc/06/00/30/1202060030.db2.gz FDDPJKYTXVXUPH-BBRMVZONSA-N 0 3 319.449 3.117 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC001753019126 1202062424 /nfs/dbraw/zinc/06/24/24/1202062424.db2.gz VNWXZHWDEKHLGZ-UKRRQHHQSA-N 0 3 308.853 3.417 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](C)c1ccco1 ZINC001753032941 1202070283 /nfs/dbraw/zinc/07/02/83/1202070283.db2.gz AFCGQFSCZIOMBD-CABCVRRESA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCc1ccccc1CC ZINC001753059837 1202088692 /nfs/dbraw/zinc/08/86/92/1202088692.db2.gz WZJMUHHNTQHYKR-UHFFFAOYSA-N 0 3 316.489 3.442 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001753062111 1202091740 /nfs/dbraw/zinc/09/17/40/1202091740.db2.gz VSUYWGPNNIPZDY-QGZVFWFLSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCCCC(=O)N[C@@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001699824355 1202099881 /nfs/dbraw/zinc/09/98/81/1202099881.db2.gz MOHPLGNCXFTOMW-IBGZPJMESA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001699826071 1202101692 /nfs/dbraw/zinc/10/16/92/1202101692.db2.gz YVRPQFOCBNDDSW-CQSZACIVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2ccc(C)c(F)c2)C1 ZINC001753086900 1202116893 /nfs/dbraw/zinc/11/68/93/1202116893.db2.gz LQMYPNRLMHLYQV-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001753097189 1202130677 /nfs/dbraw/zinc/13/06/77/1202130677.db2.gz DHCVBZGBTITMRQ-QGZVFWFLSA-N 0 3 304.409 3.203 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001699877287 1202134161 /nfs/dbraw/zinc/13/41/61/1202134161.db2.gz UXRFOCSJXQNKCV-HIFRSBDPSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001753131861 1202153250 /nfs/dbraw/zinc/15/32/50/1202153250.db2.gz DXPDJYUEJLYCQP-OAHLLOKOSA-N 0 3 318.436 3.284 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@H](C)CCC)C2)CC1 ZINC001699976689 1202155059 /nfs/dbraw/zinc/15/50/59/1202155059.db2.gz SNQNACANDYLGPF-MJGOQNOKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1CCCCCC1 ZINC001699982243 1202157056 /nfs/dbraw/zinc/15/70/56/1202157056.db2.gz ZBWRAYDPYSQOSW-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN CCCN(CCNC(=O)C#CC1CC1)Cc1cc(C)sc1C ZINC001753143669 1202161957 /nfs/dbraw/zinc/16/19/57/1202161957.db2.gz WOYWZWBAKIXOAC-UHFFFAOYSA-N 0 3 318.486 3.107 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)cc(Cl)c1 ZINC001753146240 1202162671 /nfs/dbraw/zinc/16/26/71/1202162671.db2.gz NJKHRPADAIAHHN-UHFFFAOYSA-N 0 3 306.837 3.114 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C=C)c1ccccc1 ZINC001700017596 1202166774 /nfs/dbraw/zinc/16/67/74/1202166774.db2.gz PWXNXRYGHPRNKK-MISYRCLQSA-N 0 3 322.452 3.045 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC001700046470 1202167376 /nfs/dbraw/zinc/16/73/76/1202167376.db2.gz BHSNEBQCUPEMFQ-CYBMUJFWSA-N 0 3 310.800 3.020 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001700061633 1202170699 /nfs/dbraw/zinc/17/06/99/1202170699.db2.gz VUFIGHSGHSGRHU-HNNXBMFYSA-N 0 3 310.869 3.458 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1CCC(C2CC2)CC1)C1CC1 ZINC001753162522 1202176662 /nfs/dbraw/zinc/17/66/62/1202176662.db2.gz APTYBYNFYYKFOB-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CC1CCCCC1 ZINC001753167936 1202179295 /nfs/dbraw/zinc/17/92/95/1202179295.db2.gz HJLUCVGOVUXYKQ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2c[nH]cc2C2CC2)cc1 ZINC001700100944 1202181158 /nfs/dbraw/zinc/18/11/58/1202181158.db2.gz YPLLJNLDSZOEIE-AWEZNQCLSA-N 0 3 321.424 3.106 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccccc1OC(C)C ZINC001753224224 1202185895 /nfs/dbraw/zinc/18/58/95/1202185895.db2.gz GVSWQUIUJSNIIJ-UHFFFAOYSA-N 0 3 318.461 3.234 20 30 DGEDHN CC(C)CC(C)(C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001753250921 1202188986 /nfs/dbraw/zinc/18/89/86/1202188986.db2.gz VLWKVSIIEFJDCE-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccccc2-c2ccccc2)CCC1 ZINC001700140187 1202190718 /nfs/dbraw/zinc/19/07/18/1202190718.db2.gz IIAIGGNBNUUXAT-UHFFFAOYSA-N 0 3 318.420 3.229 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc([C@@H](C)CC)cc2)CCC1 ZINC001700142872 1202191897 /nfs/dbraw/zinc/19/18/97/1202191897.db2.gz HGLMXYOQUKTRNJ-INIZCTEOSA-N 0 3 312.457 3.466 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001700171769 1202193349 /nfs/dbraw/zinc/19/33/49/1202193349.db2.gz AYPAYFLLZYFKGC-QGZVFWFLSA-N 0 3 304.409 3.263 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1CCC1(C)C)c1ccccc1 ZINC001753301622 1202200843 /nfs/dbraw/zinc/20/08/43/1202200843.db2.gz MIIPPFWZZNUQKM-SJORKVTESA-N 0 3 300.446 3.446 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001700190779 1202204511 /nfs/dbraw/zinc/20/45/11/1202204511.db2.gz TXLOONVUZWTPSK-ROUUACIJSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(Cl)ccc1C ZINC001700193513 1202206400 /nfs/dbraw/zinc/20/64/00/1202206400.db2.gz CEUQRCOJFORJHA-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001753326610 1202212522 /nfs/dbraw/zinc/21/25/22/1202212522.db2.gz GPKVSEQQHYBVRF-HKUYNNGSSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@H]1CCN(Cc2cncs2)C1 ZINC001753336966 1202217512 /nfs/dbraw/zinc/21/75/12/1202217512.db2.gz DIJAIWVHRULVNW-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)CCCF)cc2C1 ZINC001700252352 1202218323 /nfs/dbraw/zinc/21/83/23/1202218323.db2.gz HROKIXVGACSHNH-UHFFFAOYSA-N 0 3 304.409 3.334 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001753354099 1202225355 /nfs/dbraw/zinc/22/53/55/1202225355.db2.gz GXEGGQSILFDZOJ-OAHLLOKOSA-N 0 3 304.409 3.072 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1nc(C)sc1C ZINC001700327091 1202238505 /nfs/dbraw/zinc/23/85/05/1202238505.db2.gz NSJBYFCMMZAFEP-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001753401764 1202242099 /nfs/dbraw/zinc/24/20/99/1202242099.db2.gz QRLTYEXAONWIGZ-UHFFFAOYSA-N 0 3 324.468 3.162 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001753411074 1202244476 /nfs/dbraw/zinc/24/44/76/1202244476.db2.gz AUXJONYNMKSGSM-SFHVURJKSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnc2ccsc2c1 ZINC001700355292 1202246059 /nfs/dbraw/zinc/24/60/59/1202246059.db2.gz GOQXVXCTTIREHV-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc2ccccc2o1 ZINC001753422592 1202249120 /nfs/dbraw/zinc/24/91/20/1202249120.db2.gz CNNQSNXTVIVFDH-IRXDYDNUSA-N 0 3 324.424 3.227 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCOCC1 ZINC001753425315 1202249547 /nfs/dbraw/zinc/24/95/47/1202249547.db2.gz MNWFCXFDHXVCBN-IRXDYDNUSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(C(F)F)c1 ZINC001700364170 1202251003 /nfs/dbraw/zinc/25/10/03/1202251003.db2.gz OZLBAYDXSNZXCT-OAHLLOKOSA-N 0 3 308.372 3.347 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001753441327 1202255630 /nfs/dbraw/zinc/25/56/30/1202255630.db2.gz HIQCSLPHIDGHDH-LJQANCHMSA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001753452569 1202261139 /nfs/dbraw/zinc/26/11/39/1202261139.db2.gz ARXAGPHLSGMZLL-OAHLLOKOSA-N 0 3 321.490 3.426 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001753487518 1202272540 /nfs/dbraw/zinc/27/25/40/1202272540.db2.gz HURABJMNAAEDAT-CYBMUJFWSA-N 0 3 319.474 3.206 20 30 DGEDHN CCC[C@@H]1C[C@H]1C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001753489109 1202273417 /nfs/dbraw/zinc/27/34/17/1202273417.db2.gz HFEVYROGLARYEH-DVOMOZLQSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001700446529 1202274669 /nfs/dbraw/zinc/27/46/69/1202274669.db2.gz PXSRSTNUYXAJKJ-LSDHHAIUSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001753507373 1202278793 /nfs/dbraw/zinc/27/87/93/1202278793.db2.gz VCVYWRXLOIPTJV-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)n(C)c2C)CCCC1 ZINC001753509697 1202279049 /nfs/dbraw/zinc/27/90/49/1202279049.db2.gz AVFCBAYTZYOBBM-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(OC)c1C ZINC001700461128 1202280795 /nfs/dbraw/zinc/28/07/95/1202280795.db2.gz QPHABCJBFXKJKU-HNNXBMFYSA-N 0 3 318.461 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC001700470400 1202284818 /nfs/dbraw/zinc/28/48/18/1202284818.db2.gz LSVQQPHBPGVBDX-OAHLLOKOSA-N 0 3 318.461 3.152 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cccc(C)c2)cc1 ZINC001753588485 1202294408 /nfs/dbraw/zinc/29/44/08/1202294408.db2.gz PGCZJAVLVBWBBR-UHFFFAOYSA-N 0 3 306.409 3.038 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](CCC)C(C)C)cc1 ZINC001753590734 1202295141 /nfs/dbraw/zinc/29/51/41/1202295141.db2.gz MQGINSJNRDUGMR-IBGZPJMESA-N 0 3 314.473 3.488 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)CCC ZINC001700517509 1202300920 /nfs/dbraw/zinc/30/09/20/1202300920.db2.gz QLQCCQKNMKNMFJ-SFHVURJKSA-N 0 3 300.446 3.103 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1Cc1cccnc1C ZINC001700522987 1202303819 /nfs/dbraw/zinc/30/38/19/1202303819.db2.gz GQVQKUPFGWJHRK-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)C(C)(F)F)CCCC1 ZINC001753668832 1202309620 /nfs/dbraw/zinc/30/96/20/1202309620.db2.gz UZOPJGOPOQUPGK-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](C)C1CN(CC(=C)C)C1)c1ccccc1 ZINC001700548964 1202311377 /nfs/dbraw/zinc/31/13/77/1202311377.db2.gz FKAPMDMENLUEIU-LPHOPBHVSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001700573728 1202316772 /nfs/dbraw/zinc/31/67/72/1202316772.db2.gz COTYUAUHZRGSTG-PBHICJAKSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001700573730 1202317041 /nfs/dbraw/zinc/31/70/41/1202317041.db2.gz COTYUAUHZRGSTG-WMLDXEAASA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2ccccn2)CCCC1 ZINC001753731066 1202323340 /nfs/dbraw/zinc/32/33/40/1202323340.db2.gz KQRHFTDXRPOXNN-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)CCC(C)(C)C)C[C@]2(C)C1 ZINC001700624346 1202324468 /nfs/dbraw/zinc/32/44/68/1202324468.db2.gz VYEMOZSZLVKVTE-FFZOFVMBSA-N 0 3 318.505 3.252 20 30 DGEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)C ZINC001753740199 1202325912 /nfs/dbraw/zinc/32/59/12/1202325912.db2.gz BNPMPGNRRAWOES-SFHVURJKSA-N 0 3 314.473 3.205 20 30 DGEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CCCCC1)C1CC1 ZINC001753743981 1202327538 /nfs/dbraw/zinc/32/75/38/1202327538.db2.gz YMFZOEUONVWHIZ-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C(F)F)o1 ZINC001700686122 1202333903 /nfs/dbraw/zinc/33/39/03/1202333903.db2.gz WCZKAKQYEWJTSP-SNVBAGLBSA-N 0 3 320.767 3.458 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccn1C(C)C ZINC001700688989 1202335158 /nfs/dbraw/zinc/33/51/58/1202335158.db2.gz POIHXQGINGANOM-AWEZNQCLSA-N 0 3 311.857 3.310 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001700744763 1202347138 /nfs/dbraw/zinc/34/71/38/1202347138.db2.gz DKBSRQXGBQFYTP-KGLIPLIRSA-N 0 3 321.490 3.383 20 30 DGEDHN C/C=C(\C)C(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700861731 1202361186 /nfs/dbraw/zinc/36/11/86/1202361186.db2.gz WZRDNEWBQMNELB-XPXKKXDWSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCCCCC(=O)N[C@]12CCC[C@H]1N(C[C@@H](F)CC)CC2 ZINC001700861398 1202361192 /nfs/dbraw/zinc/36/11/92/1202361192.db2.gz SHAIPBYNCVDWOW-JZXOWHBKSA-N 0 3 308.441 3.041 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001700865511 1202361358 /nfs/dbraw/zinc/36/13/58/1202361358.db2.gz JEJSLBXMHHZLQQ-XKGZKEIXSA-N 0 3 312.457 3.164 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(CC)cc1)C(C)C ZINC001700976163 1202375237 /nfs/dbraw/zinc/37/52/37/1202375237.db2.gz IJFAHWSUDKVTFU-UHFFFAOYSA-N 0 3 300.446 3.055 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1ccc(F)cc1F)C(C)C ZINC001700981374 1202376245 /nfs/dbraw/zinc/37/62/45/1202376245.db2.gz SOCJLYJMOLCYFS-CQSZACIVSA-N 0 3 324.415 3.423 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cnc(C)s1)C(C)(C)C ZINC001700988752 1202377078 /nfs/dbraw/zinc/37/70/78/1202377078.db2.gz STDCYZWWBLSMLB-HNNXBMFYSA-N 0 3 323.506 3.428 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001701008436 1202380339 /nfs/dbraw/zinc/38/03/39/1202380339.db2.gz MSVNTVNAJUTMRI-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C1CC(NCc2ncccc2C)C1 ZINC001701023212 1202382726 /nfs/dbraw/zinc/38/27/26/1202382726.db2.gz WJWGXYNYSHLJJY-KLAILNCOSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC001701057629 1202385640 /nfs/dbraw/zinc/38/56/40/1202385640.db2.gz LIWLUOIVPSYOLE-OAQYLSRUSA-N 0 3 324.468 3.215 20 30 DGEDHN CCCCCCCCCC(=O)NC1CCN(CCOC)CC1 ZINC000141456262 1202529354 /nfs/dbraw/zinc/52/93/54/1202529354.db2.gz XWHAVILSPNNYQH-UHFFFAOYSA-N 0 3 312.498 3.354 20 30 DGEDHN C=CCCCn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001705811351 1202566416 /nfs/dbraw/zinc/56/64/16/1202566416.db2.gz WJDJFIUYNUDVQU-HZPDHXFCSA-N 0 3 319.497 3.287 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCn1cccc1 ZINC001707043835 1202568454 /nfs/dbraw/zinc/56/84/54/1202568454.db2.gz IWZPFLSXCWVZDE-HZPDHXFCSA-N 0 3 323.868 3.038 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001707056200 1202570260 /nfs/dbraw/zinc/57/02/60/1202570260.db2.gz VLZZZKQESXVZEL-HUUCEWRRSA-N 0 3 319.449 3.128 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001707074233 1202571814 /nfs/dbraw/zinc/57/18/14/1202571814.db2.gz JBBOJNJNRXSKGZ-IJEWVQPXSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C1=CCCC1 ZINC001707140533 1202574406 /nfs/dbraw/zinc/57/44/06/1202574406.db2.gz LSODYAGVMBBRID-XJKSGUPXSA-N 0 3 310.869 3.456 20 30 DGEDHN CC#CCN(CCCNC(=O)c1sccc1Cl)C1CC1 ZINC001707482465 1202587637 /nfs/dbraw/zinc/58/76/37/1202587637.db2.gz OCCRDZGPYHAGTK-UHFFFAOYSA-N 0 3 310.850 3.009 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCN(Cc1ccsc1)C1CC1 ZINC001713037083 1202612001 /nfs/dbraw/zinc/61/20/01/1202612001.db2.gz LFFYTSCNXORBTN-UHFFFAOYSA-N 0 3 318.486 3.268 20 30 DGEDHN C#CCN(CCCNC(=O)C1(CC(C)C)CCCC1)C1CC1 ZINC001713046382 1202612518 /nfs/dbraw/zinc/61/25/18/1202612518.db2.gz CEPLIJRJWUOBGN-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC001713052692 1202612959 /nfs/dbraw/zinc/61/29/59/1202612959.db2.gz HZGRUAUSUMYMOG-SNAWJCMRSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001713061839 1202614070 /nfs/dbraw/zinc/61/40/70/1202614070.db2.gz JVCAEIYEPGEAFR-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001713094907 1202616500 /nfs/dbraw/zinc/61/65/00/1202616500.db2.gz JLXFHESTCRDGHZ-IAGOWNOFSA-N 0 3 322.468 3.289 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001713158524 1202622836 /nfs/dbraw/zinc/62/28/36/1202622836.db2.gz UNHDOUDHCLTGGO-SHTZXODSSA-N 0 3 322.811 3.019 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001713161276 1202622934 /nfs/dbraw/zinc/62/29/34/1202622934.db2.gz OWDAUKSBUAPIQF-HDJSIYSDSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001713187903 1202625221 /nfs/dbraw/zinc/62/52/21/1202625221.db2.gz SUSOFKSSFOCHGE-FPMFFAJLSA-N 0 3 308.372 3.229 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001713251924 1202631515 /nfs/dbraw/zinc/63/15/15/1202631515.db2.gz NVVUGJHHKGUKNV-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1scnc1CC ZINC001713253508 1202631873 /nfs/dbraw/zinc/63/18/73/1202631873.db2.gz RYHOKBJYIQDSJJ-AWEZNQCLSA-N 0 3 321.490 3.256 20 30 DGEDHN C=CC1(CC(=O)NC[C@H]2CCCCN2CCOC)CCCCC1 ZINC001713257560 1202632409 /nfs/dbraw/zinc/63/24/09/1202632409.db2.gz FFUQHJIMAJTXFE-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001713258730 1202632575 /nfs/dbraw/zinc/63/25/75/1202632575.db2.gz DDOUBZBGRILKKH-SFHVURJKSA-N 0 3 324.468 3.021 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001713271454 1202633921 /nfs/dbraw/zinc/63/39/21/1202633921.db2.gz JCZUFDQRXPORLJ-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)c(OC)c1 ZINC001713313280 1202638207 /nfs/dbraw/zinc/63/82/07/1202638207.db2.gz HPBAKXVRQCDAIT-ZDUSSCGKSA-N 0 3 324.852 3.299 20 30 DGEDHN CCCC(=O)N[C@@H]1CCC[C@@H](NCc2cc(F)ccc2C#N)C1 ZINC001713366734 1202642135 /nfs/dbraw/zinc/64/21/35/1202642135.db2.gz GGJSATMFONGBDZ-IAGOWNOFSA-N 0 3 317.408 3.014 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1ccccc1C ZINC001713422059 1202648050 /nfs/dbraw/zinc/64/80/50/1202648050.db2.gz DWYQGVYYNNNWQK-HUUCEWRRSA-N 0 3 308.853 3.335 20 30 DGEDHN CCN(CCNC(=O)c1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC001713495298 1202660152 /nfs/dbraw/zinc/66/01/52/1202660152.db2.gz BGZRTNHZIMEJSI-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)CCc1ccccc1F ZINC001713515603 1202663669 /nfs/dbraw/zinc/66/36/69/1202663669.db2.gz XUGLQSHPVGTVKD-DOTOQJQBSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC001713515781 1202663718 /nfs/dbraw/zinc/66/37/18/1202663718.db2.gz APLAEILVDFMLNC-FXAWDEMLSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001713519935 1202664165 /nfs/dbraw/zinc/66/41/65/1202664165.db2.gz KKSHRMMCLPHWFO-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001713534027 1202666191 /nfs/dbraw/zinc/66/61/91/1202666191.db2.gz OIXLUIUKDUDCGA-DOTOQJQBSA-N 0 3 318.436 3.366 20 30 DGEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CC1(C)CCCC1 ZINC001713589540 1202672643 /nfs/dbraw/zinc/67/26/43/1202672643.db2.gz VGFOQIRLLWODOE-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCc1cc(F)ccc1C ZINC001713624221 1202673785 /nfs/dbraw/zinc/67/37/85/1202673785.db2.gz DEBGVBUGNMHOOF-HNNXBMFYSA-N 0 3 306.425 3.284 20 30 DGEDHN CC#CCNCCN(C)C(=O)[C@@H](CCC)CC1CCCCC1 ZINC001713640087 1202674602 /nfs/dbraw/zinc/67/46/02/1202674602.db2.gz DDFRXWCVABANSU-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CCC(C)(F)F)c1ccccc1 ZINC001713700463 1202678671 /nfs/dbraw/zinc/67/86/71/1202678671.db2.gz JIEULPCFRBNNAX-OAHLLOKOSA-N 0 3 310.388 3.445 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccoc1C(C)C)c1ccccc1 ZINC001713704562 1202678926 /nfs/dbraw/zinc/67/89/26/1202678926.db2.gz XHUWHLWGNIYISZ-GOSISDBHSA-N 0 3 324.424 3.487 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001713714875 1202680267 /nfs/dbraw/zinc/68/02/67/1202680267.db2.gz KYCQCTJKXIAEOA-WNRNVDISSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001713715841 1202680622 /nfs/dbraw/zinc/68/06/22/1202680622.db2.gz FFNCEZZQEQHZDA-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC001713752228 1202686211 /nfs/dbraw/zinc/68/62/11/1202686211.db2.gz LADLLIQGJTYDQJ-HNNXBMFYSA-N 0 3 321.490 3.088 20 30 DGEDHN CC(C)c1ccccc1CN1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001713789475 1202690786 /nfs/dbraw/zinc/69/07/86/1202690786.db2.gz XCPPSTYZWGIOGE-IBGZPJMESA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001713794620 1202691973 /nfs/dbraw/zinc/69/19/73/1202691973.db2.gz FPMVQARXUBIGSJ-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001713796295 1202692014 /nfs/dbraw/zinc/69/20/14/1202692014.db2.gz BRCVJCHACHUZRV-INIZCTEOSA-N 0 3 319.449 3.232 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001713828785 1202693584 /nfs/dbraw/zinc/69/35/84/1202693584.db2.gz BRAJWBMULYABHB-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001713852755 1202695651 /nfs/dbraw/zinc/69/56/51/1202695651.db2.gz FWEKJDJWGOMROM-AWEZNQCLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CCc2ccco2)CC1 ZINC001713854418 1202696096 /nfs/dbraw/zinc/69/60/96/1202696096.db2.gz RPQGASHLQKRRPI-UHFFFAOYSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccco1 ZINC001713939958 1202703951 /nfs/dbraw/zinc/70/39/51/1202703951.db2.gz QDYLIHPHBRNLAG-JYJNAYRXSA-N 0 3 302.418 3.025 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1F ZINC001713943236 1202704219 /nfs/dbraw/zinc/70/42/19/1202704219.db2.gz IHMOTWZCHUSJKI-JYJNAYRXSA-N 0 3 316.420 3.388 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001713975034 1202711244 /nfs/dbraw/zinc/71/12/44/1202711244.db2.gz IKKCQCPLKUIPAM-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@@H]21 ZINC001713977395 1202712619 /nfs/dbraw/zinc/71/26/19/1202712619.db2.gz XJAFSUWGSXXAIS-UTHSDXRISA-N 0 3 310.869 3.408 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001713983828 1202713867 /nfs/dbraw/zinc/71/38/67/1202713867.db2.gz GWAOKEDKLFZYRP-OAHLLOKOSA-N 0 3 307.438 3.066 20 30 DGEDHN C[C@H](C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1CCCC1 ZINC001714015786 1202728464 /nfs/dbraw/zinc/72/84/64/1202728464.db2.gz PRTDPYOYASHSFW-FFZOFVMBSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001714017738 1202729933 /nfs/dbraw/zinc/72/99/33/1202729933.db2.gz DMKCLTGYBPHTDN-MJGOQNOKSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001714019768 1202731228 /nfs/dbraw/zinc/73/12/28/1202731228.db2.gz CXYVJVQYXUCVSF-KNXALSJPSA-N 0 3 324.827 3.309 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(Cc2csc(C)c2)C1 ZINC001714037993 1202743881 /nfs/dbraw/zinc/74/38/81/1202743881.db2.gz VDJQMXIHJLAAJC-KRWDZBQOSA-N 0 3 318.486 3.283 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001714038302 1202744290 /nfs/dbraw/zinc/74/42/90/1202744290.db2.gz VAITYSUEZWJABX-QGZVFWFLSA-N 0 3 304.478 3.198 20 30 DGEDHN CC[C@@H](CNC(=O)c1oc(C)cc1C)NCC#Cc1ccccc1 ZINC001714063108 1202759229 /nfs/dbraw/zinc/75/92/29/1202759229.db2.gz DEFUTPPYLMGDPK-SFHVURJKSA-N 0 3 324.424 3.046 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001714076502 1202763918 /nfs/dbraw/zinc/76/39/18/1202763918.db2.gz XBVMQJFWDVURHC-SFHVURJKSA-N 0 3 316.420 3.018 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1ccnc(Cl)c1 ZINC001714108242 1202780953 /nfs/dbraw/zinc/78/09/53/1202780953.db2.gz WJYVXYNJGHZTNV-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001714109262 1202782143 /nfs/dbraw/zinc/78/21/43/1202782143.db2.gz WSSIAUSIWOOTEH-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H]1CCCC1(F)F ZINC001714110753 1202782398 /nfs/dbraw/zinc/78/23/98/1202782398.db2.gz KQMPTXLQAZCEBB-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2C[C@H](C)OC)CCCC1 ZINC001714120167 1202789520 /nfs/dbraw/zinc/78/95/20/1202789520.db2.gz YWZFOMFRRSWYSX-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001714161126 1202810358 /nfs/dbraw/zinc/81/03/58/1202810358.db2.gz YKIPZANPSYSIBT-CQSZACIVSA-N 0 3 317.216 3.174 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001714210382 1202833577 /nfs/dbraw/zinc/83/35/77/1202833577.db2.gz NQFLVYGSWWRWQK-INIZCTEOSA-N 0 3 320.864 3.256 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(CCF)CC2)C1 ZINC001714219615 1202836554 /nfs/dbraw/zinc/83/65/54/1202836554.db2.gz WZMAVBBEYPRIHU-CQSZACIVSA-N 0 3 316.848 3.097 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001714238347 1202843627 /nfs/dbraw/zinc/84/36/27/1202843627.db2.gz QBTFDHMXLLNQER-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN CC(C)C(=O)NCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC001714318589 1202880473 /nfs/dbraw/zinc/88/04/73/1202880473.db2.gz OVMSZHDIAOIYDX-UHFFFAOYSA-N 0 3 321.424 3.120 20 30 DGEDHN C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001714337699 1202888629 /nfs/dbraw/zinc/88/86/29/1202888629.db2.gz NCMRUQOYQKWKPK-INIZCTEOSA-N 0 3 316.445 3.190 20 30 DGEDHN C[C@@H](C(=O)NC[C@@H](C)CNCc1ccccc1C#N)C(C)(C)C ZINC001714405984 1202915657 /nfs/dbraw/zinc/91/56/57/1202915657.db2.gz VTNACQROTPKCNL-GJZGRUSLSA-N 0 3 315.461 3.082 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001714448096 1202939022 /nfs/dbraw/zinc/93/90/22/1202939022.db2.gz MRBYMOCKVYEIOI-MJGOQNOKSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc(Cl)c1C ZINC001714471058 1202952554 /nfs/dbraw/zinc/95/25/54/1202952554.db2.gz GJASTZAGDWERQE-LLVKDONJSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1ncc(C)s1 ZINC001714486368 1202957577 /nfs/dbraw/zinc/95/75/77/1202957577.db2.gz JHGPEQXHYPBHHP-BLLLJJGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@@H]1C=CCC1 ZINC001714506943 1202970171 /nfs/dbraw/zinc/97/01/71/1202970171.db2.gz ZSXIWBOBHJMCHI-CVEARBPZSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001714515260 1202975109 /nfs/dbraw/zinc/97/51/09/1202975109.db2.gz XRUBPPVNUKHRBT-AVGNSLFASA-N 0 3 320.811 3.001 20 30 DGEDHN C=C/C(C)=C/CC(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001714592394 1203031664 /nfs/dbraw/zinc/03/16/64/1203031664.db2.gz WYFKIQWGLXOVRC-CXUHLZMHSA-N 0 3 311.429 3.019 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2ccc(C)cc2)C1 ZINC001714593518 1203032400 /nfs/dbraw/zinc/03/24/00/1203032400.db2.gz YAUOJTUTQZXSIH-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(C(F)F)cc1F ZINC001714596066 1203035362 /nfs/dbraw/zinc/03/53/62/1203035362.db2.gz YVUYHNRHJHDKKL-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001714626900 1203060680 /nfs/dbraw/zinc/06/06/80/1203060680.db2.gz XVXKUMGOTRHUDY-SJORKVTESA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001714642161 1203069991 /nfs/dbraw/zinc/06/99/91/1203069991.db2.gz CZVNJHQWSJIGOF-QZTJIDSGSA-N 0 3 304.478 3.054 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001714726969 1203111053 /nfs/dbraw/zinc/11/10/53/1203111053.db2.gz DGCOWHBVKJLKBN-CYBMUJFWSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccnc1)c1ccc(C(C)C)cc1 ZINC001714831941 1203143259 /nfs/dbraw/zinc/14/32/59/1203143259.db2.gz ICMKBJJZTSEDHE-IBGZPJMESA-N 0 3 323.440 3.452 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC1CCCCC1)c1ccccc1 ZINC001714836937 1203145712 /nfs/dbraw/zinc/14/57/12/1203145712.db2.gz ZKNOPRBYDXWTLO-LJQANCHMSA-N 0 3 312.457 3.427 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC001714844068 1203148810 /nfs/dbraw/zinc/14/88/10/1203148810.db2.gz ZZIDTWAGEFJYGR-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1c(F)cccc1F)c1ccccc1 ZINC001714848961 1203150392 /nfs/dbraw/zinc/15/03/92/1203150392.db2.gz OHTHBOXVEQHPSW-MRXNPFEDSA-N 0 3 316.351 3.212 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001714924500 1203202517 /nfs/dbraw/zinc/20/25/17/1203202517.db2.gz LJBFBQVPXRAOEO-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001714970501 1203221225 /nfs/dbraw/zinc/22/12/25/1203221225.db2.gz LPJFSUBSFWLJHH-QGZVFWFLSA-N 0 3 314.473 3.454 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001714976982 1203223877 /nfs/dbraw/zinc/22/38/77/1203223877.db2.gz WRKYLGOZDXGGCX-FQEVSTJZSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C1CC1 ZINC001714989384 1203227096 /nfs/dbraw/zinc/22/70/96/1203227096.db2.gz DCEUNGOIHCHQTC-KBMXLJTQSA-N 0 3 314.429 3.410 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C\Cc1ccccc1 ZINC001714987424 1203227445 /nfs/dbraw/zinc/22/74/45/1203227445.db2.gz KEUKTOVZGYVSLS-XOUUWWQPSA-N 0 3 324.468 3.427 20 30 DGEDHN CC(C)C[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001714987303 1203227605 /nfs/dbraw/zinc/22/76/05/1203227605.db2.gz RZCKNCGHJZESKR-ULQDDVLXSA-N 0 3 304.478 3.003 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001714992362 1203229103 /nfs/dbraw/zinc/22/91/03/1203229103.db2.gz QRNYXAPPMMCPDH-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001715000835 1203231786 /nfs/dbraw/zinc/23/17/86/1203231786.db2.gz FWZVJPHRTSWJKI-HKUYNNGSSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCCc2ccsc2)C1 ZINC001715042704 1203250780 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ZINC001715511904 1203356548 /nfs/dbraw/zinc/35/65/48/1203356548.db2.gz QQDYXBKHYOHXQN-AWEZNQCLSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001715522594 1203360369 /nfs/dbraw/zinc/36/03/69/1203360369.db2.gz MDQOMKMTHCTTLA-UHFFFAOYSA-N 0 3 315.461 3.349 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C)c(C)s1 ZINC001715547997 1203369469 /nfs/dbraw/zinc/36/94/69/1203369469.db2.gz MDKZDASCYKERBM-LSDHHAIUSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001715653574 1203377893 /nfs/dbraw/zinc/37/78/93/1203377893.db2.gz XLZUKTURVSPSBV-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](c1cccnc1)C(C)C ZINC001715702931 1203382058 /nfs/dbraw/zinc/38/20/58/1203382058.db2.gz XADNQSOOCIAHPI-GOEBONIOSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC001715704257 1203382194 /nfs/dbraw/zinc/38/21/94/1203382194.db2.gz ZYJMLONDLAJTML-GFCCVEGCSA-N 0 3 315.244 3.119 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1c2ccccc2oc1CC ZINC001715778054 1203391614 /nfs/dbraw/zinc/39/16/14/1203391614.db2.gz QPAFKPQBHIBNJH-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C=CCCC(=O)NC/C=C/CNCc1ccc(Cl)c(F)c1 ZINC001715797893 1203393498 /nfs/dbraw/zinc/39/34/98/1203393498.db2.gz WNNJGDGDCHIBPZ-SNAWJCMRSA-N 0 3 310.800 3.207 20 30 DGEDHN C#Cc1ccc(C(=O)NC/C=C/CNCc2csc(C)c2)cc1 ZINC001715855945 1203397751 /nfs/dbraw/zinc/39/77/51/1203397751.db2.gz WXLNLPJYVZRGHH-SNAWJCMRSA-N 0 3 324.449 3.114 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001715965997 1203412598 /nfs/dbraw/zinc/41/25/98/1203412598.db2.gz CNFDCRSSRYYKKE-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001715977531 1203414581 /nfs/dbraw/zinc/41/45/81/1203414581.db2.gz MOOBDWQWMDYJCG-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C(C)(C)C1CCC1 ZINC001715986289 1203416564 /nfs/dbraw/zinc/41/65/64/1203416564.db2.gz IWIRQWRAOJZGLE-LBPRGKRZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001716032786 1203429276 /nfs/dbraw/zinc/42/92/76/1203429276.db2.gz DMIGCHNQNCXIHZ-FQEVSTJZSA-N 0 3 314.473 3.148 20 30 DGEDHN CCC[C@H](C)C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001716127068 1203441401 /nfs/dbraw/zinc/44/14/01/1203441401.db2.gz DWTKKICELTZOHS-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCNCc1cc(F)ccc1Cl ZINC001716137179 1203442656 /nfs/dbraw/zinc/44/26/56/1203442656.db2.gz GTNCFDJGFHWIOC-ZDUSSCGKSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001716141574 1203443038 /nfs/dbraw/zinc/44/30/38/1203443038.db2.gz JRPNCKPYJXBZTK-HZSPNIEDSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H]1CCc2ccccc21 ZINC001716182262 1203447146 /nfs/dbraw/zinc/44/71/46/1203447146.db2.gz BPXFXGNUDATXNF-GDBMZVCRSA-N 0 3 320.864 3.343 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)CC(C)(C)CC ZINC001716219503 1203450370 /nfs/dbraw/zinc/45/03/70/1203450370.db2.gz UCINXGIJZMLRRT-UHFFFAOYSA-N 0 3 321.490 3.384 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cccc(-c2ccoc2)c1 ZINC001716248617 1203453550 /nfs/dbraw/zinc/45/35/50/1203453550.db2.gz MPYFLGPJGYENGK-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001716256165 1203454488 /nfs/dbraw/zinc/45/44/88/1203454488.db2.gz REQCVLUUPPMJJK-SFHVURJKSA-N 0 3 318.436 3.027 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001716391473 1203465276 /nfs/dbraw/zinc/46/52/76/1203465276.db2.gz HZCLXQBLRGADQB-OAHLLOKOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1ccc(OC)c(F)c1 ZINC001716397777 1203466584 /nfs/dbraw/zinc/46/65/84/1203466584.db2.gz ZNEALZFBMORADF-CYBMUJFWSA-N 0 3 322.424 3.031 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CCc1ccc(C)c(Cl)c1 ZINC001716488055 1203488317 /nfs/dbraw/zinc/48/83/17/1203488317.db2.gz FYGKXWNJEMZVGZ-AWEZNQCLSA-N 0 3 308.853 3.204 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1 ZINC001716489711 1203488916 /nfs/dbraw/zinc/48/89/16/1203488916.db2.gz OLBNMNKRJICALH-ISBHARSQSA-N 0 3 300.446 3.349 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001716654436 1203514155 /nfs/dbraw/zinc/51/41/55/1203514155.db2.gz BZTGMGGETLGRSC-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001716660283 1203516629 /nfs/dbraw/zinc/51/66/29/1203516629.db2.gz PJGWMVWSJCBSJE-AZUAARDMSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001716662240 1203517615 /nfs/dbraw/zinc/51/76/15/1203517615.db2.gz BYTUTAMXMUIKTA-QGZVFWFLSA-N 0 3 302.462 3.424 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001716666997 1203519685 /nfs/dbraw/zinc/51/96/85/1203519685.db2.gz ROMVWHKEQSNDCQ-AWEZNQCLSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)n(C(C)C)c1C ZINC001716670781 1203521339 /nfs/dbraw/zinc/52/13/39/1203521339.db2.gz HSYAZEQHUYYWEX-KRWDZBQOSA-N 0 3 317.477 3.456 20 30 DGEDHN CCCCCCN1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001716672302 1203521720 /nfs/dbraw/zinc/52/17/20/1203521720.db2.gz ZONCMBXUCOEBEZ-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN2CC2CC(C)C2)CCCCC1 ZINC001716673369 1203521884 /nfs/dbraw/zinc/52/18/84/1203521884.db2.gz RLTPNVWAJYTCIR-ABHNRTSZSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCNC1(CNC(=O)C2CCC(CCCC)CC2)CC1 ZINC001716699890 1203527909 /nfs/dbraw/zinc/52/79/09/1203527909.db2.gz GSXRDFRFTSRLRH-UHFFFAOYSA-N 0 3 304.478 3.245 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001716726412 1203533190 /nfs/dbraw/zinc/53/31/90/1203533190.db2.gz KCMRGNLHXHDPHX-INIZCTEOSA-N 0 3 310.457 3.405 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001716734450 1203534236 /nfs/dbraw/zinc/53/42/36/1203534236.db2.gz BKESBBRNSGFKTO-RBUKOAKNSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCNC[C@H](NC(=O)c1ccoc1)c1ccc2ccccc2c1 ZINC001716813019 1203546073 /nfs/dbraw/zinc/54/60/73/1203546073.db2.gz XSJQFWFZUWJGSQ-IBGZPJMESA-N 0 3 318.376 3.127 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)CC(C)C)C2 ZINC001716830101 1203549197 /nfs/dbraw/zinc/54/91/97/1203549197.db2.gz JGZFEDOSXNVVRI-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001716843848 1203553207 /nfs/dbraw/zinc/55/32/07/1203553207.db2.gz QENNLAQUIIRHGC-DNVCBOLYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001716848243 1203554625 /nfs/dbraw/zinc/55/46/25/1203554625.db2.gz AAWBGMLRRIUEII-KRWDZBQOSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001716849124 1203555417 /nfs/dbraw/zinc/55/54/17/1203555417.db2.gz RIQLZKRCAYSFCS-IEBWSBKVSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CC/C=C\c2ccccc2)CC1 ZINC001716887802 1203561860 /nfs/dbraw/zinc/56/18/60/1203561860.db2.gz ZMVDYUQAIULXED-XFFZJAGNSA-N 0 3 324.468 3.332 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001716901706 1203566830 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C=CCN(C)Cc1ccccc1CNC(=O)Cc1ccc(C)o1 ZINC001717113224 1203586214 /nfs/dbraw/zinc/58/62/14/1203586214.db2.gz UDIQZKAPIGZMLX-UHFFFAOYSA-N 0 3 312.413 3.065 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccccc2C(C)(C)CC)CCC1 ZINC001717152763 1203591951 /nfs/dbraw/zinc/59/19/51/1203591951.db2.gz ICPBQRMUARYZGE-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ncccc2C)CCC1 ZINC001717159133 1203593403 /nfs/dbraw/zinc/59/34/03/1203593403.db2.gz VHQLLDROEZQUKL-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001717191523 1203595549 /nfs/dbraw/zinc/59/55/49/1203595549.db2.gz NUSHNSYKIYSOBF-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C(C)(C)C)s1 ZINC001717215666 1203605121 /nfs/dbraw/zinc/60/51/21/1203605121.db2.gz QYCVUEGEMOVZEI-UHFFFAOYSA-N 0 3 320.502 3.463 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001717334301 1203620008 /nfs/dbraw/zinc/62/00/08/1203620008.db2.gz RUVGZAGXQHZNBB-UONOGXRCSA-N 0 3 318.383 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1cc(C2CC2)no1 ZINC001717341596 1203621866 /nfs/dbraw/zinc/62/18/66/1203621866.db2.gz DJCZLJNKGKSLRX-ZDUSSCGKSA-N 0 3 319.449 3.139 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)SC ZINC001717360195 1203625234 /nfs/dbraw/zinc/62/52/34/1203625234.db2.gz QWXZFVXNLAMVJM-BRWVUGGUSA-N 0 3 318.486 3.076 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)c(Cl)c1 ZINC001717371338 1203628162 /nfs/dbraw/zinc/62/81/62/1203628162.db2.gz OJEKSSJCSPEQLO-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccccc1C ZINC001717376757 1203631119 /nfs/dbraw/zinc/63/11/19/1203631119.db2.gz XJMDMXULSKOAQR-PKOBYXMFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717400836 1203636665 /nfs/dbraw/zinc/63/66/65/1203636665.db2.gz KNGQZCOEFOUYGR-GJZGRUSLSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCOCC(=O)NC[C@H](C)N(C)[C@H](C)c1cccc(Cl)c1 ZINC001717467103 1203653309 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C=CCCCC(=O)N1CC[C@@H](NCc2nocc2C)[C@@H](CC)C1 ZINC001723379043 1203966383 /nfs/dbraw/zinc/96/63/83/1203966383.db2.gz QVTOOTSLWZCSPY-JKSUJKDBSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001723452428 1203973663 /nfs/dbraw/zinc/97/36/63/1203973663.db2.gz VPGAGRBNLMIMPY-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001723463952 1203975517 /nfs/dbraw/zinc/97/55/17/1203975517.db2.gz OWEQPZIQACLBFH-HOTGVXAUSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001723474200 1203977474 /nfs/dbraw/zinc/97/74/74/1203977474.db2.gz UUHHWZAJXCRBOO-PBHICJAKSA-N 0 3 313.445 3.118 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001723473657 1203977489 /nfs/dbraw/zinc/97/74/89/1203977489.db2.gz PRNDISMBYQMMKZ-DZGCQCFKSA-N 0 3 318.486 3.396 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001723484972 1203978148 /nfs/dbraw/zinc/97/81/48/1203978148.db2.gz 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C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC001724745797 1204042547 /nfs/dbraw/zinc/04/25/47/1204042547.db2.gz SCLCUGOVUHQAAF-XJKSGUPXSA-N 0 3 320.383 3.022 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC001724837710 1204051513 /nfs/dbraw/zinc/05/15/13/1204051513.db2.gz NJNWFYXTPNQLFX-SJORKVTESA-N 0 3 310.457 3.474 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCN(C)Cc1ccc(F)c(F)c1 ZINC001724852517 1204057189 /nfs/dbraw/zinc/05/71/89/1204057189.db2.gz ILRPUTHHQVKQHX-UHFFFAOYSA-N 0 3 324.415 3.457 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]([C@H]2CCCN(CCF)C2)C1 ZINC001724864574 1204060774 /nfs/dbraw/zinc/06/07/74/1204060774.db2.gz UGXQTNYQZHIWME-ZWKOTPCHSA-N 0 3 322.468 3.100 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H]([C@H]2CCCN(CCF)C2)C1 ZINC001724864571 1204060880 /nfs/dbraw/zinc/06/08/80/1204060880.db2.gz UGXQTNYQZHIWME-ROUUACIJSA-N 0 3 322.468 3.100 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@](C)(CC)CCC)C2 ZINC001724898017 1204064899 /nfs/dbraw/zinc/06/48/99/1204064899.db2.gz 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/nfs/dbraw/zinc/08/94/85/1204089485.db2.gz NROAZBQYQSIHDE-UHFFFAOYSA-N 0 3 324.833 3.345 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001725079942 1204090433 /nfs/dbraw/zinc/09/04/33/1204090433.db2.gz KACJNYCKUSJYMY-CVEARBPZSA-N 0 3 318.436 3.240 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2scnc2C)CC1 ZINC001725105416 1204095435 /nfs/dbraw/zinc/09/54/35/1204095435.db2.gz FVQAIQFEZHZGNN-STQMWFEESA-N 0 3 321.490 3.181 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001725154341 1204104908 /nfs/dbraw/zinc/10/49/08/1204104908.db2.gz COHZPXWTMKBDSZ-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCc1ccccc1F ZINC001725169529 1204109328 /nfs/dbraw/zinc/10/93/28/1204109328.db2.gz CBAIUVXICYRRPY-CQSZACIVSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001725176917 1204111867 /nfs/dbraw/zinc/11/18/67/1204111867.db2.gz BCZKXZUSMRPPIW-SJLPKXTDSA-N 0 3 302.462 3.124 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(Cl)c2occc21 ZINC001725186957 1204115236 /nfs/dbraw/zinc/11/52/36/1204115236.db2.gz JQCLSBBDGVCIIS-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001725265827 1204130138 /nfs/dbraw/zinc/13/01/38/1204130138.db2.gz LPHVYTNVDZHQDS-IRXDYDNUSA-N 0 3 314.473 3.186 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001725296617 1204135002 /nfs/dbraw/zinc/13/50/02/1204135002.db2.gz UYKOZZFSMYNVNP-KRWDZBQOSA-N 0 3 304.478 3.363 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCC3CC3)C[C@H]2C1 ZINC001725328940 1204137122 /nfs/dbraw/zinc/13/71/22/1204137122.db2.gz DEDWCGPNMHEKHD-HRCADAONSA-N 0 3 310.869 3.146 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2[C@H]3CN(C[C@@H](F)CC)C[C@H]32)CCCC1 ZINC001725326553 1204137157 /nfs/dbraw/zinc/13/71/57/1204137157.db2.gz VNTVHPZHVWTGAU-LUKYLMHMSA-N 0 3 322.468 3.165 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C2)C1 ZINC001725344847 1204139345 /nfs/dbraw/zinc/13/93/45/1204139345.db2.gz HZPLARJMTQCAOM-CVEARBPZSA-N 0 3 306.494 3.415 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001725374126 1204142342 /nfs/dbraw/zinc/14/23/42/1204142342.db2.gz BGLKNQATGJKKEO-AWEZNQCLSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1sc(C)nc1C ZINC001725411915 1204146622 /nfs/dbraw/zinc/14/66/22/1204146622.db2.gz JENUDYPEKZCLJX-JTQLQIEISA-N 0 3 315.870 3.001 20 30 DGEDHN CCCCCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001725560689 1204168068 /nfs/dbraw/zinc/16/80/68/1204168068.db2.gz WTSPRTCNDXXRBN-IEBWSBKVSA-N 0 3 312.457 3.197 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(F)cc1)CC2 ZINC001725583501 1204172095 /nfs/dbraw/zinc/17/20/95/1204172095.db2.gz BBFYEDFEAZNFRR-HKUYNNGSSA-N 0 3 316.420 3.405 20 30 DGEDHN C#CCCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001725587971 1204173100 /nfs/dbraw/zinc/17/31/00/1204173100.db2.gz BJADYNUUIRVYFG-AEFFLSMTSA-N 0 3 316.470 3.165 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cncc(CC)c1)C(C)C ZINC001725763989 1204215644 /nfs/dbraw/zinc/21/56/44/1204215644.db2.gz KKPPBTSWSKHXPU-UHFFFAOYSA-N 0 3 303.450 3.003 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CCC3CCCC3)CC2)CC1 ZINC001725792114 1204223255 /nfs/dbraw/zinc/22/32/55/1204223255.db2.gz JOXSMJNRHXOQGH-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001725825521 1204227385 /nfs/dbraw/zinc/22/73/85/1204227385.db2.gz FJJYQHNQMPWGIU-QUCCMNQESA-N 0 3 310.441 3.115 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(F)c1 ZINC001725832801 1204229626 /nfs/dbraw/zinc/22/96/26/1204229626.db2.gz GOZAEWJPTMPPDV-LPHOPBHVSA-N 0 3 318.436 3.400 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)c(F)c1 ZINC001725833920 1204230477 /nfs/dbraw/zinc/23/04/77/1204230477.db2.gz NSWNVJYNVSFPBA-IAGOWNOFSA-N 0 3 318.436 3.400 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H]2CCCN2CCOCCCC)CC1 ZINC001753112199 1204316623 /nfs/dbraw/zinc/31/66/23/1204316623.db2.gz XRAUKVPEKNBFCE-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CSC(C)C ZINC001731288514 1204363085 /nfs/dbraw/zinc/36/30/85/1204363085.db2.gz PEARRHVOBDPVGE-UONOGXRCSA-N 0 3 318.914 3.240 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001731288286 1204363131 /nfs/dbraw/zinc/36/31/31/1204363131.db2.gz COMSRUYJADDPID-ZIAGYGMSSA-N 0 3 310.825 3.313 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C=C\c1ccco1 ZINC001731288657 1204363266 /nfs/dbraw/zinc/36/32/66/1204363266.db2.gz GRPUTAGACMKPBP-LRPNZCEASA-N 0 3 322.836 3.405 20 30 DGEDHN CCN(CCCNC(=O)C#CC1CC1)[C@H](C)c1ccccc1F ZINC001731306614 1204368913 /nfs/dbraw/zinc/36/89/13/1204368913.db2.gz BVMCWDSWWOTQKY-OAHLLOKOSA-N 0 3 316.420 3.128 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001731382118 1204389519 /nfs/dbraw/zinc/38/95/19/1204389519.db2.gz XTQSNFPCONFHPV-UBAGTECSSA-N 0 3 322.880 3.293 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2c(C)coc2C)CC1 ZINC001731384706 1204390855 /nfs/dbraw/zinc/39/08/55/1204390855.db2.gz SSZJMODFZIGVKS-UHFFFAOYSA-N 0 3 304.434 3.399 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCCC2CCCC2)CC1 ZINC001731386460 1204391429 /nfs/dbraw/zinc/39/14/29/1204391429.db2.gz UYRAXIAPWOOJDW-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN CC1(C(=O)NC[C@H](NCC#Cc2ccccc2)C2CC2)CCCC1 ZINC001731402256 1204398425 /nfs/dbraw/zinc/39/84/25/1204398425.db2.gz OGMFYZICAIPTPR-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001731422948 1204408088 /nfs/dbraw/zinc/40/80/88/1204408088.db2.gz BMVCTVQEVDFPEF-OIISXLGYSA-N 0 3 304.478 3.453 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccsc1 ZINC001731425014 1204409027 /nfs/dbraw/zinc/40/90/27/1204409027.db2.gz JDROCGUOHYNNMA-BHYGNILZSA-N 0 3 318.486 3.493 20 30 DGEDHN CCCCC1(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001731452958 1204416606 /nfs/dbraw/zinc/41/66/06/1204416606.db2.gz ZAGVOWJDRBGLPA-WGSAOQKQSA-N 0 3 324.468 3.245 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001731498566 1204434872 /nfs/dbraw/zinc/43/48/72/1204434872.db2.gz NSMQNZYODOGIGL-KOTDBNOLSA-N 0 3 312.457 3.494 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001731504379 1204437082 /nfs/dbraw/zinc/43/70/82/1204437082.db2.gz POQVBHUKKUCUIP-ZDUSSCGKSA-N 0 3 320.399 3.369 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001731506322 1204438301 /nfs/dbraw/zinc/43/83/01/1204438301.db2.gz BIBAYKFKICOQER-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN Cc1ccccc1CN1CCCC[C@@H]1CNC(=O)C#CC(C)C ZINC001731535257 1204448609 /nfs/dbraw/zinc/44/86/09/1204448609.db2.gz AFNWNLNERZSUEY-LJQANCHMSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001731541974 1204452268 /nfs/dbraw/zinc/45/22/68/1204452268.db2.gz IXLNOAQTAMAPJW-IEBWSBKVSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCOc1ccccc1 ZINC001731541349 1204452496 /nfs/dbraw/zinc/45/24/96/1204452496.db2.gz IERBPFXODPHHOW-QGZVFWFLSA-N 0 3 316.445 3.002 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001731591546 1204475564 /nfs/dbraw/zinc/47/55/64/1204475564.db2.gz SRKAMRAUFKKXRC-STQMWFEESA-N 0 3 324.827 3.294 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001731638576 1204493065 /nfs/dbraw/zinc/49/30/65/1204493065.db2.gz CFECAMIIXGFICO-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001731710398 1204513961 /nfs/dbraw/zinc/51/39/61/1204513961.db2.gz LBFNYMLOFCXRRH-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN CC(C)CCC(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001731721914 1204522450 /nfs/dbraw/zinc/52/24/50/1204522450.db2.gz CSUXZKVHHARPRY-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001731773355 1204548504 /nfs/dbraw/zinc/54/85/04/1204548504.db2.gz WCWNUECVRJSSAW-QGZVFWFLSA-N 0 3 304.409 3.217 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2cccc(Cl)c2o1 ZINC001731796454 1204564434 /nfs/dbraw/zinc/56/44/34/1204564434.db2.gz GMZLGBYPZIHDTF-UHFFFAOYSA-N 0 3 306.793 3.324 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001731813150 1204578372 /nfs/dbraw/zinc/57/83/72/1204578372.db2.gz LEDDCJYPUCTUND-CQSZACIVSA-N 0 3 308.853 3.143 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001731824088 1204587016 /nfs/dbraw/zinc/58/70/16/1204587016.db2.gz OGLHELYDIZOAKM-BEBFYNPSSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(CC)c(CC)c1)C1CC1 ZINC001731884613 1204623812 /nfs/dbraw/zinc/62/38/12/1204623812.db2.gz YUSBGXZPFQZMMP-UHFFFAOYSA-N 0 3 300.446 3.192 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C)(C)c1ccc(F)cc1)C1CC1 ZINC001731885313 1204624600 /nfs/dbraw/zinc/62/46/00/1204624600.db2.gz ZBOKTOWQONAMRD-UHFFFAOYSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C[C@H](CC(=O)NCC[C@H]1CCN(CCF)C1)c1ccccc1 ZINC001732058962 1204673897 /nfs/dbraw/zinc/67/38/97/1204673897.db2.gz DVKSHEFRPVPSEW-DLBZAZTESA-N 0 3 318.436 3.144 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001732132185 1204706478 /nfs/dbraw/zinc/70/64/78/1204706478.db2.gz VWLFZQZQIFGAMF-HOTGVXAUSA-N 0 3 300.446 3.398 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(CC)C(=O)c2ccns2)C1 ZINC001732182386 1204736068 /nfs/dbraw/zinc/73/60/68/1204736068.db2.gz MTRXNXLKSJSPTM-OAHLLOKOSA-N 0 3 321.490 3.426 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001732183479 1204736585 /nfs/dbraw/zinc/73/65/85/1204736585.db2.gz XPKIIISEEOIEOX-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1c(C)cccc1Cl ZINC001732197646 1204745677 /nfs/dbraw/zinc/74/56/77/1204745677.db2.gz LATXDQWTLRMZFJ-OAHLLOKOSA-N 0 3 320.864 3.436 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2cc(C)ns2)CCC1 ZINC001732212971 1204752109 /nfs/dbraw/zinc/75/21/09/1204752109.db2.gz VLTCIUFJXJJYMX-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN CC[C@H](CNC(=O)CCC1(C)CC1)NCC#Cc1ccccc1 ZINC001732219671 1204756587 /nfs/dbraw/zinc/75/65/87/1204756587.db2.gz RSIWJSWITUDOFL-GOSISDBHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1cnc(C)s1 ZINC001732221956 1204758420 /nfs/dbraw/zinc/75/84/20/1204758420.db2.gz ISYXPXMHNROYDL-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC001732269603 1204776944 /nfs/dbraw/zinc/77/69/44/1204776944.db2.gz NFCPFSITVKXDSY-OAHLLOKOSA-N 0 3 324.852 3.183 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2CC)cc1 ZINC001732316640 1204789098 /nfs/dbraw/zinc/78/90/98/1204789098.db2.gz AABVXAHUSZAPTH-OALUTQOASA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC(C2CC2)C2CC2)cc1 ZINC001732318768 1204789559 /nfs/dbraw/zinc/78/95/59/1204789559.db2.gz QXGBAXBCPILPAU-UHFFFAOYSA-N 0 3 324.468 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2CCCCCCC2)cc1 ZINC001732317899 1204789802 /nfs/dbraw/zinc/78/98/02/1204789802.db2.gz SMPQHXNDPDYEPJ-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)CNCc1c(F)cccc1Cl ZINC001732337074 1204797254 /nfs/dbraw/zinc/79/72/54/1204797254.db2.gz AXFXKTRXYNSWQP-ZDUSSCGKSA-N 0 3 324.827 3.125 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)s1 ZINC001732411670 1204828394 /nfs/dbraw/zinc/82/83/94/1204828394.db2.gz YWNLYBCBTLOLAM-NSHDSACASA-N 0 3 300.855 3.304 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001732420912 1204833321 /nfs/dbraw/zinc/83/33/21/1204833321.db2.gz WSDIOWHLPRVLHI-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](CNCc1ccccc1F)CC(C)C ZINC001732462286 1204855926 /nfs/dbraw/zinc/85/59/26/1204855926.db2.gz YUVNNPJJHWMMKW-QGZVFWFLSA-N 0 3 318.436 3.106 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1sccc1Cl)C(C)C ZINC001732558186 1204895478 /nfs/dbraw/zinc/89/54/78/1204895478.db2.gz JLDKFGHTLHNMNB-LLVKDONJSA-N 0 3 321.273 3.498 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1cccc(F)c1F)C(C)C ZINC001732558279 1204895767 /nfs/dbraw/zinc/89/57/67/1204895767.db2.gz YIPPMRQAIXTBLD-OAHLLOKOSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](F)c1ccccc1)C(C)C ZINC001732569985 1204900834 /nfs/dbraw/zinc/90/08/34/1204900834.db2.gz RCQMJLQTWAIZPH-HUUCEWRRSA-N 0 3 312.816 3.180 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc2c1CCC2)C(C)C ZINC001732574484 1204903345 /nfs/dbraw/zinc/90/33/45/1204903345.db2.gz XDLZMVYVGPPPTN-KRWDZBQOSA-N 0 3 320.864 3.272 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001732588377 1204911234 /nfs/dbraw/zinc/91/12/34/1204911234.db2.gz KETQMFURYOFCAF-KRWDZBQOSA-N 0 3 318.436 3.415 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1csc2ccccc12 ZINC001732588991 1204911991 /nfs/dbraw/zinc/91/19/91/1204911991.db2.gz ZXULBRNDPMOQFY-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC001732597870 1204917635 /nfs/dbraw/zinc/91/76/35/1204917635.db2.gz GYYRWRQGJBLGJT-UHFFFAOYSA-N 0 3 306.406 3.230 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(c2ccccc2)CCC1 ZINC001732712345 1204932015 /nfs/dbraw/zinc/93/20/15/1204932015.db2.gz LPWJFIHDDOYSFJ-OAHLLOKOSA-N 0 3 320.864 3.345 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CCNCc1cccc(F)c1F ZINC001732724038 1204933809 /nfs/dbraw/zinc/93/38/09/1204933809.db2.gz YGVIOXPEGWZNTO-AWEZNQCLSA-N 0 3 322.399 3.143 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1cc(C)ccc1OC ZINC001732972706 1204969183 /nfs/dbraw/zinc/96/91/83/1204969183.db2.gz SRLBQCUBMCZUSG-OAHLLOKOSA-N 0 3 318.461 3.200 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@@H](C)CNC1c2ccccc2-c2ccccc21 ZINC001732992141 1204975739 /nfs/dbraw/zinc/97/57/39/1204975739.db2.gz PZBOVNMJQSJCNI-KGLIPLIRSA-N 0 3 319.408 3.010 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)CCc1scnc1C ZINC001733056752 1205007972 /nfs/dbraw/zinc/00/79/72/1205007972.db2.gz VJWJNABJBPWASF-SUMWQHHRSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)CCc1scnc1C ZINC001733056749 1205008407 /nfs/dbraw/zinc/00/84/07/1205008407.db2.gz VJWJNABJBPWASF-DYVFJYSZSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1ncc(C)s1 ZINC001733069295 1205016660 /nfs/dbraw/zinc/01/66/60/1205016660.db2.gz VEJQDKFJHDVRLW-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN CC(C)(C)CC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001733164444 1205031300 /nfs/dbraw/zinc/03/13/00/1205031300.db2.gz MFYSFSCVSNFKJB-OAHLLOKOSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccc(Cl)nc1)C1CC1 ZINC001733173426 1205033184 /nfs/dbraw/zinc/03/31/84/1205033184.db2.gz YGANMWJTXXXLTB-HNNXBMFYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2ccccc2C)CCC1 ZINC001733231380 1205059443 /nfs/dbraw/zinc/05/94/43/1205059443.db2.gz OLLIGTRSZNGNRK-QGZVFWFLSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H]1CCN1CCCC)c1ccccc1 ZINC001733237864 1205063957 /nfs/dbraw/zinc/06/39/57/1205063957.db2.gz PPIXZEUZNIMTKI-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cccc(C(F)F)c2)CC1 ZINC001733237619 1205064813 /nfs/dbraw/zinc/06/48/13/1205064813.db2.gz ASTWSDMSNUSUCN-UHFFFAOYSA-N 0 3 308.372 3.329 20 30 DGEDHN N#Cc1cccc(CNC2(CNC(=O)CC3=CCCCC3)CC2)c1 ZINC001733239967 1205065630 /nfs/dbraw/zinc/06/56/30/1205065630.db2.gz HKHAGSKWKHJWLO-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN C[C@@H](NC1(CNC(=O)C#CC(C)(C)C)CC1)c1cccc(F)c1 ZINC001733243818 1205067338 /nfs/dbraw/zinc/06/73/38/1205067338.db2.gz UPVOZSBDIATSNL-CQSZACIVSA-N 0 3 316.420 3.175 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](CC)CC(C)C)C2)CC1 ZINC001733292178 1205084916 /nfs/dbraw/zinc/08/49/16/1205084916.db2.gz HXCNAVDKUPMUIG-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001733296033 1205085573 /nfs/dbraw/zinc/08/55/73/1205085573.db2.gz CMWGZCAMIRXNNO-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1ccnc(Cl)c1 ZINC001733349641 1205102096 /nfs/dbraw/zinc/10/20/96/1205102096.db2.gz XGFRIBZXCJOLGB-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C#CCN(C(=O)CC(C)=C(C)C)C1CCN(CC(=C)C)CC1 ZINC001733370191 1205107981 /nfs/dbraw/zinc/10/79/81/1205107981.db2.gz FHHGXPXMEIJCLV-UHFFFAOYSA-N 0 3 302.462 3.235 20 30 DGEDHN CC#CCNC[C@H](NC(=O)C1CCC1)c1ccc2ccccc2c1 ZINC001733375627 1205108371 /nfs/dbraw/zinc/10/83/71/1205108371.db2.gz SQLBANOQJMZUPP-FQEVSTJZSA-N 0 3 320.436 3.410 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2sc(C)cc2C)C1 ZINC001733413895 1205124928 /nfs/dbraw/zinc/12/49/28/1205124928.db2.gz URHMHBDPWGNTOE-QGZVFWFLSA-N 0 3 306.475 3.064 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2sccc2C2CC2)CC1 ZINC001733453382 1205138192 /nfs/dbraw/zinc/13/81/92/1205138192.db2.gz DOXFDORYYVJBGH-UHFFFAOYSA-N 0 3 316.470 3.091 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2occc2C(C)C)C1 ZINC001733464592 1205145475 /nfs/dbraw/zinc/14/54/75/1205145475.db2.gz YMSBPNUAROVETP-GOSISDBHSA-N 0 3 304.434 3.421 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001733477275 1205149096 /nfs/dbraw/zinc/14/90/96/1205149096.db2.gz NLJRHQVRXZDZOW-CHWSQXEVSA-N 0 3 320.399 3.020 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001733477277 1205149526 /nfs/dbraw/zinc/14/95/26/1205149526.db2.gz NLJRHQVRXZDZOW-OLZOCXBDSA-N 0 3 320.399 3.020 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](C)CCCC)C2)CC1 ZINC001733513133 1205150461 /nfs/dbraw/zinc/15/04/61/1205150461.db2.gz KEEQVYQINJLKKL-HKUYNNGSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN[C@@H](CNC(=O)/C=C\c1ccc[nH]1)c1ccccc1CC ZINC001733518676 1205152098 /nfs/dbraw/zinc/15/20/98/1205152098.db2.gz PUDBHMQSPKCXJO-JZHDPFOFSA-N 0 3 323.440 3.223 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)C1CCC1 ZINC001733573096 1205166091 /nfs/dbraw/zinc/16/60/91/1205166091.db2.gz ZYIGUDDBJDNFEX-QGZVFWFLSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)=C2CCCC2)cc1 ZINC001733682158 1205183897 /nfs/dbraw/zinc/18/38/97/1205183897.db2.gz OZYFAPZLEJHGAH-MRXNPFEDSA-N 0 3 310.441 3.477 20 30 DGEDHN CC[C@H](C)C(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001733768679 1205206102 /nfs/dbraw/zinc/20/61/02/1205206102.db2.gz KSNKATBBKNBGSR-AWEZNQCLSA-N 0 3 319.424 3.024 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001733779698 1205215671 /nfs/dbraw/zinc/21/56/71/1205215671.db2.gz SEAPPQDIAPADLO-UHFFFAOYSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001733901732 1205247158 /nfs/dbraw/zinc/24/71/58/1205247158.db2.gz RZWLJPHHTNPEBU-AEFFLSMTSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001733907896 1205251046 /nfs/dbraw/zinc/25/10/46/1205251046.db2.gz XJXQMQRYEAMNJF-IBGZPJMESA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)C(C)C ZINC001733908569 1205251434 /nfs/dbraw/zinc/25/14/34/1205251434.db2.gz ZVEDKOPNNHTTHH-GOSISDBHSA-N 0 3 300.446 3.324 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001733907960 1205251627 /nfs/dbraw/zinc/25/16/27/1205251627.db2.gz YJZLSYITBLMIFT-HXUWFJFHSA-N 0 3 324.468 3.306 20 30 DGEDHN C=CCCC(=O)NC1CC(CNCc2c(F)cccc2Cl)C1 ZINC001733945346 1205268190 /nfs/dbraw/zinc/26/81/90/1205268190.db2.gz HOBUBKNQJJARDK-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)c2ccccc2)C1 ZINC001733956986 1205270478 /nfs/dbraw/zinc/27/04/78/1205270478.db2.gz QOZGQLGNJQYTIP-VQCLRJIVSA-N 0 3 306.837 3.027 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001733984405 1205279071 /nfs/dbraw/zinc/27/90/71/1205279071.db2.gz LTMUBMLRVZUNBY-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN CCC1(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)CCC1 ZINC001733990055 1205280662 /nfs/dbraw/zinc/28/06/62/1205280662.db2.gz BIVVLNZGGLDVTK-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001733990161 1205281335 /nfs/dbraw/zinc/28/13/35/1205281335.db2.gz NIFMSPARZDQTLM-CHWSQXEVSA-N 0 3 309.841 3.074 20 30 DGEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001734036134 1205298753 /nfs/dbraw/zinc/29/87/53/1205298753.db2.gz SHWVYVHDUOXNFU-KGLIPLIRSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001734046667 1205302987 /nfs/dbraw/zinc/30/29/87/1205302987.db2.gz XHJJQNFXYTYEGO-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C(C)(C)c1ccccc1Cl ZINC001734061553 1205312344 /nfs/dbraw/zinc/31/23/44/1205312344.db2.gz GRUFMJCYXVBJSV-CYBMUJFWSA-N 0 3 308.853 3.240 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001734110669 1205327169 /nfs/dbraw/zinc/32/71/69/1205327169.db2.gz QQMUIIIKRMBYDG-MRXNPFEDSA-N 0 3 300.446 3.206 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001734119382 1205329021 /nfs/dbraw/zinc/32/90/21/1205329021.db2.gz OOJNQJMIROZXPW-HNNXBMFYSA-N 0 3 312.457 3.119 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C(C)(C)C1 ZINC001734152878 1205336897 /nfs/dbraw/zinc/33/68/97/1205336897.db2.gz GRBXURHCXKSTLL-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C(C)=C/CC)C[C@H]2C1 ZINC001734184703 1205340170 /nfs/dbraw/zinc/34/01/70/1205340170.db2.gz AUFQCUDYRSAMCT-KKQAGXBQSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](CCCC)C(C)C)C[C@]2(C)C1 ZINC001734204939 1205343477 /nfs/dbraw/zinc/34/34/77/1205343477.db2.gz BNIZSAVDZWISPG-RLLQIKCJSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C(C)(C)C(F)(F)F ZINC001734259294 1205350785 /nfs/dbraw/zinc/35/07/85/1205350785.db2.gz SLWVFCFUSOHASZ-SNVBAGLBSA-N 0 3 314.779 3.202 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ncccc2C)[C@H]1C ZINC001734396095 1205372230 /nfs/dbraw/zinc/37/22/30/1205372230.db2.gz PZVPMMSCOGDVAK-HZPDHXFCSA-N 0 3 315.461 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CC3(C=C)CCCCC3)CCC[C@@H]12 ZINC001734439845 1205377936 /nfs/dbraw/zinc/37/79/36/1205377936.db2.gz LLYXUQQEGDLGFG-XLIONFOSSA-N 0 3 314.473 3.259 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCC(F)(F)F)[C@@H]1C ZINC001734461876 1205381855 /nfs/dbraw/zinc/38/18/55/1205381855.db2.gz RWZGWBAXZXZAQO-STQMWFEESA-N 0 3 306.372 3.264 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNCc2nc(C)c(C)s2)C1 ZINC001734471942 1205384286 /nfs/dbraw/zinc/38/42/86/1205384286.db2.gz VQIYCNTXBRJVMT-LSDHHAIUSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H](NC[C@H](F)CC)C(C)(C)C2)CC1 ZINC001734499307 1205387833 /nfs/dbraw/zinc/38/78/33/1205387833.db2.gz CLIYZONIJNFTNL-HZPDHXFCSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C(C)(C)C)on1)C(C)C ZINC001734549962 1205390896 /nfs/dbraw/zinc/39/08/96/1205390896.db2.gz FQPAXXZYXGXYAR-UHFFFAOYSA-N 0 3 321.465 3.331 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(C)(C)C2CCC2)CC1 ZINC001734578173 1205399428 /nfs/dbraw/zinc/39/94/28/1205399428.db2.gz AYYYHXBNRCMBBS-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](CC)CCCC)CC1 ZINC001734578574 1205399515 /nfs/dbraw/zinc/39/95/15/1205399515.db2.gz FTHDIDYUVNECLK-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001734578292 1205399620 /nfs/dbraw/zinc/39/96/20/1205399620.db2.gz UHWZPGKGOPIXAJ-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C1CC(NCc2ncccc2C)C1 ZINC001734593506 1205402794 /nfs/dbraw/zinc/40/27/94/1205402794.db2.gz ARNCSSUNYWXGOX-UHFFFAOYSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCc2cccc(F)c2F)C1 ZINC001734596949 1205403088 /nfs/dbraw/zinc/40/30/88/1205403088.db2.gz AAECGLHDHJUQKD-UHFFFAOYSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC001734633460 1205407336 /nfs/dbraw/zinc/40/73/36/1205407336.db2.gz RSPOFNNEHQXCNI-UXBLZVDNSA-N 0 3 310.441 3.414 20 30 DGEDHN C=CCN1CCN(c2nc(N3CCCC3)cc3ccccc32)CC1 ZINC001165032494 721871224 /nfs/dbraw/zinc/87/12/24/721871224.db2.gz VOXHXOIEDFQBFV-UHFFFAOYSA-N 0 3 322.456 3.143 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001666967586 1197302260 /nfs/dbraw/zinc/30/22/60/1197302260.db2.gz RJMUMTYIUJJTKK-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](C)CSC ZINC001667237678 1197332027 /nfs/dbraw/zinc/33/20/27/1197332027.db2.gz CBDIAGACGQXXMX-TZMCWYRMSA-N 0 3 318.914 3.099 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2ccc(Cl)s2)C1 ZINC001669391982 1197452222 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ZINC001266358243 1081698719 /nfs/dbraw/zinc/69/87/19/1081698719.db2.gz BLSJGTQOGNEWGE-HNNXBMFYSA-N 0 3 321.465 3.320 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C(C)C)CC2)C12CCC2 ZINC001203386886 1081709774 /nfs/dbraw/zinc/70/97/74/1081709774.db2.gz RHLCXIDPAIQXJD-UONOGXRCSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001108861857 1081725265 /nfs/dbraw/zinc/72/52/65/1081725265.db2.gz FJOFJEBWMIMEJS-PMPSAXMXSA-N 0 3 302.418 3.361 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@H]1C[C@H]1C)CC2 ZINC001209416512 1081734765 /nfs/dbraw/zinc/73/47/65/1081734765.db2.gz SIDIAZFROKMDBU-GDBMZVCRSA-N 0 3 315.461 3.010 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001108934838 1081739602 /nfs/dbraw/zinc/73/96/02/1081739602.db2.gz JBIHNSDFOABRSM-FSDCSDTHSA-N 0 3 314.429 3.082 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001108934838 1081739604 /nfs/dbraw/zinc/73/96/04/1081739604.db2.gz 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CC#CCN[C@H]1CCN(C(=O)c2ccc(C(C)(C)CC)cc2)C1 ZINC001266531989 1081960053 /nfs/dbraw/zinc/96/00/53/1081960053.db2.gz PVYHZCFEIVLOQK-SFHVURJKSA-N 0 3 312.457 3.202 20 30 DGEDHN CC/C=C(\C)C(=O)NCCN(CCC)Cc1cccc(C#N)c1 ZINC001266556526 1081994528 /nfs/dbraw/zinc/99/45/28/1081994528.db2.gz PWYVVBLMROYRGY-FRKPEAEDSA-N 0 3 313.445 3.243 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)c1ccccc1F ZINC001266575116 1082016782 /nfs/dbraw/zinc/01/67/82/1082016782.db2.gz CMTRTNOPZUQCFI-MRXNPFEDSA-N 0 3 318.436 3.171 20 30 DGEDHN CCN1CCN(c2ccc(NC3=CC(=O)C[C@H](C)C3)cc2)CC1 ZINC001210771624 1082018810 /nfs/dbraw/zinc/01/88/10/1082018810.db2.gz XYRMRARXWRHGCD-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001112837678 1082020680 /nfs/dbraw/zinc/02/06/80/1082020680.db2.gz QWYHIDNIFWGJSP-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCNCc1oc(CCC)nc1C ZINC001167362978 1082027522 /nfs/dbraw/zinc/02/75/22/1082027522.db2.gz HBDPTVZQSABHJN-UHFFFAOYSA-N 0 3 321.465 3.134 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)c(C)o1)C2 ZINC001204531429 1082039874 /nfs/dbraw/zinc/03/98/74/1082039874.db2.gz NYTYOXXZNQJRTN-QZTJIDSGSA-N 0 3 305.418 3.223 20 30 DGEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccoc2C)C1 ZINC001086573620 1082103968 /nfs/dbraw/zinc/10/39/68/1082103968.db2.gz FHZCBMMYCODORT-RBUKOAKNSA-N 0 3 324.424 3.362 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C=C2CCC2)C1 ZINC001086582322 1082133884 /nfs/dbraw/zinc/13/38/84/1082133884.db2.gz KWQMQCWTYRXWQS-RBUKOAKNSA-N 0 3 310.441 3.257 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001113258028 1082150397 /nfs/dbraw/zinc/15/03/97/1082150397.db2.gz VWQFBUBPVZNBIZ-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1C ZINC001104342045 1082152434 /nfs/dbraw/zinc/15/24/34/1082152434.db2.gz AAFCRIRMZUGRQA-XNRPHZJLSA-N 0 3 312.885 3.249 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001086588013 1082181174 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C[C@H](CNC(=O)C1=CCCCCC1)NCc1ccc(C#N)s1 ZINC001266934142 1082355570 /nfs/dbraw/zinc/35/55/70/1082355570.db2.gz SQQWDHLQICKCMA-CYBMUJFWSA-N 0 3 317.458 3.105 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001266967500 1082385444 /nfs/dbraw/zinc/38/54/44/1082385444.db2.gz GOWZIPJPSXIIAC-PXAZEXFGSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCCCNC/C(Cl)=C\Cl ZINC001170426622 1082393593 /nfs/dbraw/zinc/39/35/93/1082393593.db2.gz XILDRKQUPWCLJQ-UQRISPGASA-N 0 3 319.276 3.374 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3cccc(C)c3s2)C1 ZINC001267013122 1082431157 /nfs/dbraw/zinc/43/11/57/1082431157.db2.gz VGVQZSHHMNOXMU-HNNXBMFYSA-N 0 3 312.438 3.037 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001267014698 1082433469 /nfs/dbraw/zinc/43/34/69/1082433469.db2.gz NJWCUFCDAIKYQL-IBGZPJMESA-N 0 3 310.441 3.172 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2oc(CC)nc2C)C1 ZINC001267079933 1082485340 /nfs/dbraw/zinc/48/53/40/1082485340.db2.gz 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C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001167573207 1082536812 /nfs/dbraw/zinc/53/68/12/1082536812.db2.gz HTAHIWXCWJYNMM-CVEARBPZSA-N 0 3 324.896 3.441 20 30 DGEDHN CC#CCNCCN(C)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001267137570 1082554053 /nfs/dbraw/zinc/55/40/53/1082554053.db2.gz SBNVZGZIDNIKDS-UHFFFAOYSA-N 0 3 306.837 3.148 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(CC)s1 ZINC001267137458 1082554703 /nfs/dbraw/zinc/55/47/03/1082554703.db2.gz DZSXHJVPYHOKLD-NSHDSACASA-N 0 3 300.855 3.161 20 30 DGEDHN CC[C@H]1CCC[C@@]1(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001130259144 1082559159 /nfs/dbraw/zinc/55/91/59/1082559159.db2.gz XCUQDQGDOMZHDY-SUMWQHHRSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccsc1 ZINC001267162454 1082585503 /nfs/dbraw/zinc/58/55/03/1082585503.db2.gz WOJRGZUSZFCXTN-CQSZACIVSA-N 0 3 312.866 3.475 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@]1(C)C=CCC1 ZINC001267174493 1082598346 /nfs/dbraw/zinc/59/83/46/1082598346.db2.gz LJNQMNONGVDPNJ-NVXWUHKLSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001267215018 1082647047 /nfs/dbraw/zinc/64/70/47/1082647047.db2.gz FXMDPLPDYFWOQJ-DNVCBOLYSA-N 0 3 318.461 3.407 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2cc(C)ccc2C)C1 ZINC001267214862 1082648015 /nfs/dbraw/zinc/64/80/15/1082648015.db2.gz GIKBRFXEVRNPMC-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001267215688 1082649121 /nfs/dbraw/zinc/64/91/21/1082649121.db2.gz OWYWRDKQFKDWHN-LJQANCHMSA-N 0 3 302.462 3.454 20 30 DGEDHN CC(C)N(CCCNC(=O)CC1CC1)Cc1ccccc1C#N ZINC001267228540 1082667130 /nfs/dbraw/zinc/66/71/30/1082667130.db2.gz UKPPIAHDSCAASA-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCC[C@H](CC)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001131485470 1082680609 /nfs/dbraw/zinc/68/06/09/1082680609.db2.gz ZTBURQFBBMQDDZ-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@@H](C)O2 ZINC001131681820 1082702739 /nfs/dbraw/zinc/70/27/39/1082702739.db2.gz IPSLEEGMPBPBGC-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131674181 1082704773 /nfs/dbraw/zinc/70/47/73/1082704773.db2.gz VKHVCYVMORCTEW-HKUYNNGSSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CC2CCCCC2)CC[C@H]1C ZINC001131780353 1082729866 /nfs/dbraw/zinc/72/98/66/1082729866.db2.gz OQJVBCNSNNRDGS-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)s1 ZINC001267281030 1082743923 /nfs/dbraw/zinc/74/39/23/1082743923.db2.gz ITQFVFUZPWSQEK-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001131909201 1082760736 /nfs/dbraw/zinc/76/07/36/1082760736.db2.gz UNFYQRAIBGOEOR-SJLPKXTDSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CCc2ccccc2F)C1 ZINC001131895410 1082761629 /nfs/dbraw/zinc/76/16/29/1082761629.db2.gz IMUJMGZLODIPMF-WBVHZDCISA-N 0 3 318.436 3.304 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cncc(F)c1)C(C)C ZINC001267307570 1082771885 /nfs/dbraw/zinc/77/18/85/1082771885.db2.gz BHRISRJMRUZCJE-UHFFFAOYSA-N 0 3 321.440 3.150 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1oc(C)nc1C)C(C)C ZINC001267308367 1082772759 /nfs/dbraw/zinc/77/27/59/1082772759.db2.gz VONKBAGPVLYBER-UHFFFAOYSA-N 0 3 321.465 3.220 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132001484 1082790862 /nfs/dbraw/zinc/79/08/62/1082790862.db2.gz ACYXCEHBPZWPJS-MJGOQNOKSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001132003722 1082791856 /nfs/dbraw/zinc/79/18/56/1082791856.db2.gz ZCXZYDKSSOAHQX-STQMWFEESA-N 0 3 310.438 3.436 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(CC2=CCCCC2)C1 ZINC001132016005 1082797029 /nfs/dbraw/zinc/79/70/29/1082797029.db2.gz CPVTVHSUOCDIIU-AEFFLSMTSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)N(CCOC(C)C)C1 ZINC001132056697 1082803713 /nfs/dbraw/zinc/80/37/13/1082803713.db2.gz BWODKGNVCDVDQT-AEFFLSMTSA-N 0 3 322.493 3.149 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCOCCC(C)C)C1 ZINC001132073581 1082809481 /nfs/dbraw/zinc/80/94/81/1082809481.db2.gz WTWBMQCELCALCM-MSOLQXFVSA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(Cc3ccccc3)C2)CCC1 ZINC001132101403 1082817046 /nfs/dbraw/zinc/81/70/46/1082817046.db2.gz LAPQPWFRALZAQX-HKUYNNGSSA-N 0 3 324.468 3.349 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132114739 1082822609 /nfs/dbraw/zinc/82/26/09/1082822609.db2.gz HUVONKNKBLMVNT-GOEBONIOSA-N 0 3 306.475 3.226 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(F)cc2)CC[C@@H]1C ZINC001132157316 1082828532 /nfs/dbraw/zinc/82/85/32/1082828532.db2.gz NYLOGCQCNJRNBF-MAUKXSAKSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1sccc1F)c1ccccc1 ZINC001267357978 1082829764 /nfs/dbraw/zinc/82/97/64/1082829764.db2.gz VRMMGHJJXRWBJW-CQSZACIVSA-N 0 3 304.390 3.134 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C(F)F)CCCC2)CC[C@H]1C ZINC001132238257 1082855771 /nfs/dbraw/zinc/85/57/71/1082855771.db2.gz QJRQPMBOXOAUSE-KGLIPLIRSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCOC(C)C)C2)CCC1 ZINC001132283386 1082866023 /nfs/dbraw/zinc/86/60/23/1082866023.db2.gz WRQHCTJYDPQEFO-IRXDYDNUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132368621 1082890413 /nfs/dbraw/zinc/89/04/13/1082890413.db2.gz OTFFCGIPSKARTL-QZTJIDSGSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CC[C@@H](C)N(CCOC)C2)CCCCC1 ZINC001132348391 1082890502 /nfs/dbraw/zinc/89/05/02/1082890502.db2.gz LUIRNLWWMNVLMB-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1sc(CC)nc1C ZINC001158598368 1082891174 /nfs/dbraw/zinc/89/11/74/1082891174.db2.gz WESOWWKUGLBOLG-CQSZACIVSA-N 0 3 321.490 3.126 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(F)cc2F)CC[C@H]1C ZINC001132392253 1082896665 /nfs/dbraw/zinc/89/66/65/1082896665.db2.gz HKVCBEVOGYFKLQ-CJNGLKHVSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416610 1082906644 /nfs/dbraw/zinc/90/66/44/1082906644.db2.gz IHNOXWKLCMNEOI-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CC[C@H](C)N(CCO)C1 ZINC001132442263 1082911886 /nfs/dbraw/zinc/91/18/86/1082911886.db2.gz YELWIFRBHHNSGM-DLBZAZTESA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132449084 1082914122 /nfs/dbraw/zinc/91/41/22/1082914122.db2.gz RKPIGOOUGQNZEQ-IRXDYDNUSA-N 0 3 310.482 3.129 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CCCCC2)CC[C@H]1C ZINC001132507990 1082929955 /nfs/dbraw/zinc/92/99/55/1082929955.db2.gz AXTXPDKHBJHVLC-SJORKVTESA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCCCCC3)C(C)(C)[C@@H]21 ZINC001087277878 1082930622 /nfs/dbraw/zinc/93/06/22/1082930622.db2.gz WPOATLUAVFZJBJ-KZNAEPCWSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C(C)=C3CCCC3)C(C)(C)[C@H]21 ZINC001087280607 1082934286 /nfs/dbraw/zinc/93/42/86/1082934286.db2.gz RNZKSDZMYXFLKC-KURKYZTESA-N 0 3 314.473 3.115 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C2CC2)C2CC2)CC[C@@H]1C ZINC001132522941 1082935977 /nfs/dbraw/zinc/93/59/77/1082935977.db2.gz VGXIBOHFTGLKSX-YOEHRIQHSA-N 0 3 304.478 3.358 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1=CCCCCC1 ZINC001087285119 1082946720 /nfs/dbraw/zinc/94/67/20/1082946720.db2.gz SSHCUNIFESUAFZ-FGTMMUONSA-N 0 3 314.473 3.115 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132569015 1082948740 /nfs/dbraw/zinc/94/87/40/1082948740.db2.gz JKNBPSIGNLRSHX-RYUDHWBXSA-N 0 3 312.816 3.143 20 30 DGEDHN C#Cc1ccc(C(=O)NCCCN(C/C=C\Cl)C(C)C)cc1 ZINC001267505439 1082964379 /nfs/dbraw/zinc/96/43/79/1082964379.db2.gz WWFUYJMHZLBPNU-WZUFQYTHSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132653172 1082968205 /nfs/dbraw/zinc/96/82/05/1082968205.db2.gz GQIDHGOZESOXBD-GFCCVEGCSA-N 0 3 312.816 3.287 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087302239 1082972513 /nfs/dbraw/zinc/97/25/13/1082972513.db2.gz PNBVKEUOHLBMOT-KBAYOESNSA-N 0 3 316.489 3.051 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001132662980 1082974916 /nfs/dbraw/zinc/97/49/16/1082974916.db2.gz NBIYEEPVMOKSAO-QWHCGFSZSA-N 0 3 310.388 3.334 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CC1CC(F)(F)C1)c1ccccc1 ZINC001267521159 1082981744 /nfs/dbraw/zinc/98/17/44/1082981744.db2.gz QUMLWKYOLCHLHD-MRXNPFEDSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(C)cc(C)c3)C(C)(C)[C@H]21 ZINC001087315326 1082985524 /nfs/dbraw/zinc/98/55/24/1082985524.db2.gz ZRURTDXHAHXDNX-QYZOEREBSA-N 0 3 324.468 3.155 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(C)(C)[C@@H]21 ZINC001087314159 1082985680 /nfs/dbraw/zinc/98/56/80/1082985680.db2.gz GNBDUGNQWIBOOI-GUDVDZBRSA-N 0 3 324.468 3.237 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)ccc3C)C(C)(C)[C@@H]21 ZINC001087315043 1082986551 /nfs/dbraw/zinc/98/65/51/1082986551.db2.gz VPEJFZIRSNAWDB-BHIYHBOVSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 ZINC001267526641 1082989079 /nfs/dbraw/zinc/98/90/79/1082989079.db2.gz RUNGDHIWTGYADI-TZJYRCSTSA-N 0 3 324.468 3.283 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@H](CNCc2nccs2)C1 ZINC001132865627 1083010685 /nfs/dbraw/zinc/01/06/85/1083010685.db2.gz PPIHTKLFOABHCN-LSDHHAIUSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001133143475 1083059343 /nfs/dbraw/zinc/05/93/43/1083059343.db2.gz WJNIMKMGWPJBAW-MRXNPFEDSA-N 0 3 308.372 3.014 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C/C=C\c1ccc(C)cc1 ZINC001493338103 1083061587 /nfs/dbraw/zinc/06/15/87/1083061587.db2.gz VGBLOKBIOYXWOU-FPLPWBNLSA-N 0 3 312.457 3.250 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001086701197 1083062192 /nfs/dbraw/zinc/06/21/92/1083062192.db2.gz JDGJAZOJPGYMLQ-DRRXZNNHSA-N 0 3 322.880 3.216 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCCC ZINC001133382289 1083110733 /nfs/dbraw/zinc/11/07/33/1083110733.db2.gz AQMPPBKHEYZGTP-UHFFFAOYSA-N 0 3 306.837 3.082 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001133380669 1083110978 /nfs/dbraw/zinc/11/09/78/1083110978.db2.gz LUFZIRPBBDINHQ-KRWDZBQOSA-N 0 3 324.852 3.157 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)/C=C(/C)CC ZINC001133398065 1083112897 /nfs/dbraw/zinc/11/28/97/1083112897.db2.gz BLDHETSFJFKRHF-QINSGFPZSA-N 0 3 318.848 3.248 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCC(=C)C ZINC001133398235 1083113428 /nfs/dbraw/zinc/11/34/28/1083113428.db2.gz LKAUMXWHLOEEBO-UHFFFAOYSA-N 0 3 318.848 3.248 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)CCC ZINC001133392540 1083114307 /nfs/dbraw/zinc/11/43/07/1083114307.db2.gz BWIONUDPKNOVNX-HNNXBMFYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cc(F)ccc2C)CCC1 ZINC001133392245 1083114554 /nfs/dbraw/zinc/11/45/54/1083114554.db2.gz NVUHAAKYVIVZNS-UHFFFAOYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001481060737 1083142564 /nfs/dbraw/zinc/14/25/64/1083142564.db2.gz WSRBWKXJOJNOEB-GOEBONIOSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001481097003 1083167888 /nfs/dbraw/zinc/16/78/88/1083167888.db2.gz WYIUIADCWILLTM-INIZCTEOSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211646638 1083178618 /nfs/dbraw/zinc/17/86/18/1083178618.db2.gz DFCUIAQSHKEAHN-RBUKOAKNSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CC(C)(C)C ZINC001133730705 1083185829 /nfs/dbraw/zinc/18/58/29/1083185829.db2.gz GIDHKQFTGXBNRN-NWDGAFQWSA-N 0 3 319.287 3.204 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133767895 1083193768 /nfs/dbraw/zinc/19/37/68/1083193768.db2.gz BLZQDUACPYMDFE-GJZGRUSLSA-N 0 3 315.461 3.367 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(CCC)nc1C ZINC001133888285 1083207667 /nfs/dbraw/zinc/20/76/67/1083207667.db2.gz HWYDQAZDFQWHCJ-KBPBESRZSA-N 0 3 321.465 3.275 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2ccncc2s1)C1CC1 ZINC001481173864 1083224373 /nfs/dbraw/zinc/22/43/73/1083224373.db2.gz RFQDKCLWTKJRHK-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1C ZINC001104748561 1083251292 /nfs/dbraw/zinc/25/12/92/1083251292.db2.gz UUINMEBPPVGQNJ-BPLDGKMQSA-N 0 3 300.874 3.105 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2ccccc21 ZINC001267709249 1083274691 /nfs/dbraw/zinc/27/46/91/1083274691.db2.gz QEOIDJYNVPANEJ-CMKODMSKSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1 ZINC001267710634 1083276231 /nfs/dbraw/zinc/27/62/31/1083276231.db2.gz WWDUMRUPJHOTGM-XIRDDKMYSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(Cl)cc1 ZINC001267715588 1083279675 /nfs/dbraw/zinc/27/96/75/1083279675.db2.gz FWYITLAGDQNBFD-IRXDYDNUSA-N 0 3 318.848 3.134 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134458195 1083296005 /nfs/dbraw/zinc/29/60/05/1083296005.db2.gz YUCNFPRLEPRXFB-STQMWFEESA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001134475324 1083297538 /nfs/dbraw/zinc/29/75/38/1083297538.db2.gz BAAODJRRRQHDPB-HOTGVXAUSA-N 0 3 320.481 3.193 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001134475958 1083297975 /nfs/dbraw/zinc/29/79/75/1083297975.db2.gz KOSWHAOIQBRMBT-OLZOCXBDSA-N 0 3 307.438 3.021 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001267739071 1083302264 /nfs/dbraw/zinc/30/22/64/1083302264.db2.gz WUUQLZNAIGHTJZ-GOSISDBHSA-N 0 3 300.446 3.467 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001267742865 1083309386 /nfs/dbraw/zinc/30/93/86/1083309386.db2.gz CBNMOVBRMSSAQE-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](CC2CCCCC2)C(C)C)C1 ZINC001267749300 1083316263 /nfs/dbraw/zinc/31/62/63/1083316263.db2.gz FZOOTKYNHQADCX-MOPGFXCFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(CCOCC)C2)CCCCC1 ZINC001267777183 1083340156 /nfs/dbraw/zinc/34/01/56/1083340156.db2.gz KJBMGJNHCTYYNJ-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CCOCC)C2)CCCCC1 ZINC001267777182 1083340379 /nfs/dbraw/zinc/34/03/79/1083340379.db2.gz KJBMGJNHCTYYNJ-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001267778676 1083341073 /nfs/dbraw/zinc/34/10/73/1083341073.db2.gz FPIJGGKNLKTXFH-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(CCOC(C)C)C2)CCCC1 ZINC001267779003 1083341466 /nfs/dbraw/zinc/34/14/66/1083341466.db2.gz LHOYJWXQAFYTAS-QGZVFWFLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](CC)CC(F)F)CCCC1 ZINC001267839117 1083421386 /nfs/dbraw/zinc/42/13/86/1083421386.db2.gz ZVRWJZDQJVAZJU-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCCC23CC3)CCCC1 ZINC001267839559 1083425113 /nfs/dbraw/zinc/42/51/13/1083425113.db2.gz VMWSYPUYHYDYDY-AWEZNQCLSA-N 0 3 310.869 3.338 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2ccccn2)CCCC[C@@H]1C ZINC001267867495 1083486424 /nfs/dbraw/zinc/48/64/24/1083486424.db2.gz GMHQLODANPSCME-LPHOPBHVSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001267883936 1083514427 /nfs/dbraw/zinc/51/44/27/1083514427.db2.gz NHZQFYKLKHLYAX-HNNXBMFYSA-N 0 3 310.869 3.007 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC001267875910 1083507877 /nfs/dbraw/zinc/50/78/77/1083507877.db2.gz PBAXCXHGDUNHGH-LQYUOIDQSA-N 0 3 322.836 3.264 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CCNCc2nc(C)cs2)C1 ZINC001267882654 1083513031 /nfs/dbraw/zinc/51/30/31/1083513031.db2.gz UEQORNWECOFRKZ-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001267888435 1083517793 /nfs/dbraw/zinc/51/77/93/1083517793.db2.gz GKXVXRXMHUFGCJ-BFYDXBDKSA-N 0 3 310.869 3.147 20 30 DGEDHN C=CCOc1ccc(CN2CCC(N3CC(F)(F)C3)CC2)cc1 ZINC001204303924 1083523329 /nfs/dbraw/zinc/52/33/29/1083523329.db2.gz UHPMUKCPDIMYTQ-UHFFFAOYSA-N 0 3 322.399 3.167 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)c2ccccc2C)cc1 ZINC001267940423 1083606838 /nfs/dbraw/zinc/60/68/38/1083606838.db2.gz LFGWWWZQHATFHZ-QGZVFWFLSA-N 0 3 320.436 3.138 20 30 DGEDHN C=CCCC(=O)NCCC1CCN(Cc2cc(C)ns2)CC1 ZINC001267942003 1083610231 /nfs/dbraw/zinc/61/02/31/1083610231.db2.gz IOYGURIMNTZDPQ-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C#Cc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC001182142689 1083632022 /nfs/dbraw/zinc/63/20/22/1083632022.db2.gz ZNDOKQOGVJCORB-UHFFFAOYSA-N 0 3 304.393 3.188 20 30 DGEDHN CCCCN(CC)[C@H](C(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC001182232949 1083650847 /nfs/dbraw/zinc/65/08/47/1083650847.db2.gz POBAUHFGKINKCG-KRWDZBQOSA-N 0 3 313.445 3.222 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@H](CCO)CC1 ZINC001182432947 1083711570 /nfs/dbraw/zinc/71/15/70/1083711570.db2.gz GRJAIHIWJNQXEL-HNNXBMFYSA-N 0 3 321.848 3.337 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2nccs2)C1 ZINC001182437864 1083714887 /nfs/dbraw/zinc/71/48/87/1083714887.db2.gz URGRKBUODMCCBD-RHSMWYFYSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)CNCc2nc(C)cs2)CC1 ZINC001268002001 1083724614 /nfs/dbraw/zinc/72/46/14/1083724614.db2.gz NEVWGAAACKKOQZ-ZDUSSCGKSA-N 0 3 321.490 3.040 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)C)c1ccc(C(C)C)cc1 ZINC001481357763 1083817780 /nfs/dbraw/zinc/81/77/80/1083817780.db2.gz KDLHVRPXFPDMNU-SFHVURJKSA-N 0 3 300.446 3.236 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC1CC(C)(C)C1)c1ccccc1 ZINC001481369782 1083830440 /nfs/dbraw/zinc/83/04/40/1083830440.db2.gz SRCZJGSYHNEGOQ-GOSISDBHSA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(C=C)cc2)C1 ZINC001481408095 1083878224 /nfs/dbraw/zinc/87/82/24/1083878224.db2.gz JMSZGTIUQXIMGO-IBGZPJMESA-N 0 3 310.441 3.279 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C=C2CCC2)C1 ZINC001087424839 1083967395 /nfs/dbraw/zinc/96/73/95/1083967395.db2.gz RSOVVOOFQJZLHE-WOJBJXKFSA-N 0 3 322.452 3.094 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001087424882 1083969250 /nfs/dbraw/zinc/96/92/50/1083969250.db2.gz UNFACQKDEBUJOZ-PEVDHWGLSA-N 0 3 324.468 3.030 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC001481523914 1084067815 /nfs/dbraw/zinc/06/78/15/1084067815.db2.gz ANUWKNIUSHVALD-HNAYVOBHSA-N 0 3 321.424 3.080 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC001481525482 1084074481 /nfs/dbraw/zinc/07/44/81/1084074481.db2.gz IBRZTLGFNPOCAZ-MJGOQNOKSA-N 0 3 324.468 3.304 20 30 DGEDHN Cc1ccc(CNC[C@H](C)N(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001268061722 1084076485 /nfs/dbraw/zinc/07/64/85/1084076485.db2.gz YYCGUZWCPYZFDK-HNNXBMFYSA-N 0 3 320.864 3.244 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001481531005 1084087453 /nfs/dbraw/zinc/08/74/53/1084087453.db2.gz LPURMLXHPLTPGW-QWHCGFSZSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001481534967 1084099818 /nfs/dbraw/zinc/09/98/18/1084099818.db2.gz TUPJIDYDKCRYCE-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN Cc1cccc(Cl)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001184108528 1084100905 /nfs/dbraw/zinc/10/09/05/1084100905.db2.gz MNBCHYHFXHHFQG-GFCCVEGCSA-N 0 3 322.817 3.454 20 30 DGEDHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293499 1084156163 /nfs/dbraw/zinc/15/61/63/1084156163.db2.gz VZDTURYVENZQTI-KRWDZBQOSA-N 0 3 304.434 3.100 20 30 DGEDHN CC(C)[N@H+]1CCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293499 1084156168 /nfs/dbraw/zinc/15/61/68/1084156168.db2.gz VZDTURYVENZQTI-KRWDZBQOSA-N 0 3 304.434 3.100 20 30 DGEDHN C=C(C)CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403924 1084171278 /nfs/dbraw/zinc/17/12/78/1084171278.db2.gz ORLRNNVVMPSHFM-HNNXBMFYSA-N 0 3 306.837 3.244 20 30 DGEDHN C#CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184402441 1084171953 /nfs/dbraw/zinc/17/19/53/1084171953.db2.gz HETDNIRSAHMALY-MRXNPFEDSA-N 0 3 318.848 3.082 20 30 DGEDHN C#CCC1(C(=O)NCC2(NCC(=C)Cl)CCCCC2)CCC1 ZINC001115567909 1084227717 /nfs/dbraw/zinc/22/77/17/1084227717.db2.gz VKHRYHSBJNECJL-UHFFFAOYSA-N 0 3 322.880 3.341 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(Cl)c1C ZINC001184698454 1084242128 /nfs/dbraw/zinc/24/21/28/1084242128.db2.gz LDICMWXPQJXMJP-ZDUSSCGKSA-N 0 3 307.825 3.420 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2csc(C)n2)C1 ZINC001268167762 1084270203 /nfs/dbraw/zinc/27/02/03/1084270203.db2.gz HBVSUHLLJDISGN-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001268183632 1084296089 /nfs/dbraw/zinc/29/60/89/1084296089.db2.gz LWLYOPAGFHRJPB-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1cc(C)ccc1F)C(C)C ZINC001268206224 1084325573 /nfs/dbraw/zinc/32/55/73/1084325573.db2.gz QIEVGPQYATTZIZ-KRWDZBQOSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1c(C)noc1C)C(C)C ZINC001268215990 1084338453 /nfs/dbraw/zinc/33/84/53/1084338453.db2.gz FKTDIURYYUPQAL-AEFFLSMTSA-N 0 3 321.465 3.124 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(F)c1F)C(C)C ZINC001268217716 1084341389 /nfs/dbraw/zinc/34/13/89/1084341389.db2.gz CIVXHXJDIZEGGV-CYBMUJFWSA-N 0 3 316.779 3.061 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001185071001 1084343873 /nfs/dbraw/zinc/34/38/73/1084343873.db2.gz MPVXADOPATYUTN-NVXWUHKLSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc(C(F)F)cc1 ZINC001268233358 1084372000 /nfs/dbraw/zinc/37/20/00/1084372000.db2.gz RTGRULIXVDIHMC-UHFFFAOYSA-N 0 3 310.388 3.481 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001207636633 1084385413 /nfs/dbraw/zinc/38/54/13/1084385413.db2.gz VYTARMXUXWYYQA-HNNXBMFYSA-N 0 3 306.837 3.387 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001268248607 1084403744 /nfs/dbraw/zinc/40/37/44/1084403744.db2.gz DHOOGNMBGLUWOZ-QGZVFWFLSA-N 0 3 302.462 3.455 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001185296469 1084408420 /nfs/dbraw/zinc/40/84/20/1084408420.db2.gz PFVWCMDAYPXFKD-GFCCVEGCSA-N 0 3 312.866 3.448 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C(C)(C)c1ccccc1Cl ZINC001268255310 1084418395 /nfs/dbraw/zinc/41/83/95/1084418395.db2.gz WYFIJVBHUOHHGQ-UHFFFAOYSA-N 0 3 320.864 3.031 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C/Cc1ccccc1 ZINC001481673811 1084465875 /nfs/dbraw/zinc/46/58/75/1084465875.db2.gz KGXWWXRNABQMAL-PXEQJPNCSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC001481678861 1084471318 /nfs/dbraw/zinc/47/13/18/1084471318.db2.gz YEITYWGAUXVBHR-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(C2CCCC2)cc1 ZINC001273513180 1084559713 /nfs/dbraw/zinc/55/97/13/1084559713.db2.gz GXAMUQYSHIDKRI-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001185968970 1084561375 /nfs/dbraw/zinc/56/13/75/1084561375.db2.gz RAQCAJCEJRKUFX-CQSZACIVSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C(C)(F)F)CC1 ZINC001282321666 1084577443 /nfs/dbraw/zinc/57/74/43/1084577443.db2.gz WTFCOFTWGFAUKO-UHFFFAOYSA-N 0 3 322.827 3.249 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCSc2ccccc21 ZINC001139869347 1084617032 /nfs/dbraw/zinc/61/70/32/1084617032.db2.gz GKFGHYBFRSRTDW-INIZCTEOSA-N 0 3 318.486 3.232 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](OCC)C2CCCC2)C1 ZINC001481771795 1084626192 /nfs/dbraw/zinc/62/61/92/1084626192.db2.gz QCPCHCHWBBLIGX-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2ccccc2)C1 ZINC001481781109 1084635243 /nfs/dbraw/zinc/63/52/43/1084635243.db2.gz AFCYFLRYPVIXNW-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](CC)NCc2ccccc2F)cc1 ZINC001481838461 1084662253 /nfs/dbraw/zinc/66/22/53/1084662253.db2.gz CBOKDPLMJJVQLH-GOSISDBHSA-N 0 3 324.399 3.105 20 30 DGEDHN C#CCCCC(=O)N[C@@](C)(CNCc1ccccc1F)C1CC1 ZINC001481926483 1084712025 /nfs/dbraw/zinc/71/20/25/1084712025.db2.gz IFOYADAVASJGOW-IBGZPJMESA-N 0 3 316.420 3.004 20 30 DGEDHN C=C[C@H](C(=O)N(CC)CCNC/C=C/Cl)c1ccccc1 ZINC001268500290 1084733814 /nfs/dbraw/zinc/73/38/14/1084733814.db2.gz VTRMNERDOCAYSM-KXKDPZRNSA-N 0 3 306.837 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccoc2CC)C1 ZINC001481972141 1084737930 /nfs/dbraw/zinc/73/79/30/1084737930.db2.gz HNWOJNFVWQHPDZ-CQSZACIVSA-N 0 3 324.852 3.426 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccoc2CC)C1 ZINC001481972140 1084738225 /nfs/dbraw/zinc/73/82/25/1084738225.db2.gz HNWOJNFVWQHPDZ-AWEZNQCLSA-N 0 3 324.852 3.426 20 30 DGEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C=C2CCCCC2)c1 ZINC001268517535 1084781345 /nfs/dbraw/zinc/78/13/45/1084781345.db2.gz KDEHDLXZHCYKKU-SNAWJCMRSA-N 0 3 323.440 3.211 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C(C)(C)CC(C)C)cc1 ZINC001482034891 1084787280 /nfs/dbraw/zinc/78/72/80/1084787280.db2.gz GFUXPJVXAVWPDP-UHFFFAOYSA-N 0 3 300.446 3.098 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268709714 1084962615 /nfs/dbraw/zinc/96/26/15/1084962615.db2.gz QVMMNWCYMYVGIV-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCc1c(F)cccc1F ZINC001268741636 1085013376 /nfs/dbraw/zinc/01/33/76/1085013376.db2.gz VVKZFMQBVGCLPS-ZDUSSCGKSA-N 0 3 324.415 3.156 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001268871756 1085072659 /nfs/dbraw/zinc/07/26/59/1085072659.db2.gz BAMMEURTUVLVNV-UHFFFAOYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CC[C@H](C)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001268966267 1085088548 /nfs/dbraw/zinc/08/85/48/1085088548.db2.gz KQCOCIZTQZAHQX-MELADBBJSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCC1 ZINC001268965523 1085088670 /nfs/dbraw/zinc/08/86/70/1085088670.db2.gz RXEQBUDTFPSSMM-RDBSUJKOSA-N 0 3 312.404 3.062 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC(C)C)c[nH]1 ZINC001268978470 1085093464 /nfs/dbraw/zinc/09/34/64/1085093464.db2.gz BAYJPSWDLFRCKE-IRXDYDNUSA-N 0 3 315.461 3.078 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C)c1ccccc1 ZINC001268989107 1085095992 /nfs/dbraw/zinc/09/59/92/1085095992.db2.gz ZTSHYTWDVRWFCV-WDSOQIARSA-N 0 3 312.457 3.287 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](CN[C@@H](C)c1ccccc1F)C1CC1 ZINC001269067083 1085111679 /nfs/dbraw/zinc/11/16/79/1085111679.db2.gz RKXAMPOGFHFTHG-KBXCAEBGSA-N 0 3 316.420 3.031 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001269069081 1085111798 /nfs/dbraw/zinc/11/17/98/1085111798.db2.gz HIOSPSRLOHDCSX-HNNXBMFYSA-N 0 3 319.449 3.327 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001269134726 1085147063 /nfs/dbraw/zinc/14/70/63/1085147063.db2.gz RWGBTYDJTOTGFA-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001269260974 1085243643 /nfs/dbraw/zinc/24/36/43/1085243643.db2.gz MFTQHNCREKGATI-HOCLYGCPSA-N 0 3 313.445 3.118 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001269278937 1085262095 /nfs/dbraw/zinc/26/20/95/1085262095.db2.gz SBFVWLUIRDYWNY-HKUYNNGSSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cc(C)cc(C)c1 ZINC001269287347 1085270396 /nfs/dbraw/zinc/27/03/96/1085270396.db2.gz UHNYGAIAJQTHCG-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C[C@H](C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001269295502 1085277170 /nfs/dbraw/zinc/27/71/70/1085277170.db2.gz FYNUAAHNNMVAGS-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001269332079 1085308224 /nfs/dbraw/zinc/30/82/24/1085308224.db2.gz NKKCQIYOLIJAJB-LJQANCHMSA-N 0 3 310.441 3.416 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001269333826 1085313130 /nfs/dbraw/zinc/31/31/30/1085313130.db2.gz YOTDXLDPVKPMJQ-UONOGXRCSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H]1CCN1CCC1CC1)c1ccccc1 ZINC001269349961 1085327702 /nfs/dbraw/zinc/32/77/02/1085327702.db2.gz FDCVZKBVCYJOCB-IEBWSBKVSA-N 0 3 312.457 3.337 20 30 DGEDHN CC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)NCc1ccc(C#N)s1 ZINC001269424363 1085379485 /nfs/dbraw/zinc/37/94/85/1085379485.db2.gz FEKHNRCJABDJPX-STQMWFEESA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(CC#CC)C1 ZINC001269555844 1085463694 /nfs/dbraw/zinc/46/36/94/1085463694.db2.gz HXVWOYGZVOFJKP-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cccc(F)c1C)C1CC1 ZINC001269619997 1085500467 /nfs/dbraw/zinc/50/04/67/1085500467.db2.gz XMIHOYWXSRGSSX-KRWDZBQOSA-N 0 3 324.827 3.375 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(CC=C)CCCC3)C2)C1 ZINC001269700309 1085533942 /nfs/dbraw/zinc/53/39/42/1085533942.db2.gz UJCCUTVJHZOZQK-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001269746860 1085551994 /nfs/dbraw/zinc/55/19/94/1085551994.db2.gz LOCDZLGLEHGQPE-KRWDZBQOSA-N 0 3 320.864 3.200 20 30 DGEDHN C=CCCCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001482242693 1085564311 /nfs/dbraw/zinc/56/43/11/1085564311.db2.gz DDBNKMDYEAGGPH-UHFFFAOYSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C[C@@H](CC)CC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC001269787487 1085566353 /nfs/dbraw/zinc/56/63/53/1085566353.db2.gz NOAGFCQZSKHBCU-INIZCTEOSA-N 0 3 315.461 3.369 20 30 DGEDHN CC(C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001482251189 1085611799 /nfs/dbraw/zinc/61/17/99/1085611799.db2.gz PFGRHCDNXHXYLQ-HNNXBMFYSA-N 0 3 320.864 3.174 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C1CCN(C[C@H](F)CC)CC1 ZINC001284711609 1085617110 /nfs/dbraw/zinc/61/71/10/1085617110.db2.gz AAUQVJTYFIUCMI-DOTOQJQBSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001270492070 1085831759 /nfs/dbraw/zinc/83/17/59/1085831759.db2.gz YGBXKBRWPAPERZ-KGLIPLIRSA-N 0 3 318.383 3.360 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001270514204 1085840722 /nfs/dbraw/zinc/84/07/22/1085840722.db2.gz WLXFDXFZOXNMAF-PRCIHIDRSA-N 0 3 322.880 3.103 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1nc(C)sc1C ZINC001270527018 1085845396 /nfs/dbraw/zinc/84/53/96/1085845396.db2.gz ZHVMLXXENSUYCU-LBPRGKRZSA-N 0 3 323.506 3.204 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccc3ncccc3c2)C1 ZINC001270559350 1085858889 /nfs/dbraw/zinc/85/88/89/1085858889.db2.gz WZBJOBFYRYJAJB-FQEVSTJZSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2ccccc2F)C1 ZINC001482328663 1086015223 /nfs/dbraw/zinc/01/52/23/1086015223.db2.gz CYHFLBJADOFNQM-CQSZACIVSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(CCC)CCC)C[C@H]1C(F)(F)F ZINC001112155721 1086092982 /nfs/dbraw/zinc/09/29/82/1086092982.db2.gz GZSVCCXMDLJOHG-ZIAGYGMSSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(C)cc(F)c1)C2 ZINC001143585445 1086093625 /nfs/dbraw/zinc/09/36/25/1086093625.db2.gz ADZWKIQRYMMEQE-OALUTQOASA-N 0 3 319.420 3.460 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C=C1CCCCC1 ZINC001270903344 1086169152 /nfs/dbraw/zinc/16/91/52/1086169152.db2.gz DQGYWYFZWVLKLC-GOSISDBHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001270912924 1086188068 /nfs/dbraw/zinc/18/80/68/1086188068.db2.gz FCGJEAVFCMCEBL-OAHLLOKOSA-N 0 3 318.848 3.094 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC001271007118 1086247899 /nfs/dbraw/zinc/24/78/99/1086247899.db2.gz JACAKKWJKXAMHJ-KRWDZBQOSA-N 0 3 306.837 3.358 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2coc3ccccc23)C1 ZINC001271017805 1086254039 /nfs/dbraw/zinc/25/40/39/1086254039.db2.gz XDJZVMAVMCFQDI-HXUWFJFHSA-N 0 3 324.424 3.288 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2c(C)cccc2Cl)[C@H]1CC ZINC001087641006 1086335413 /nfs/dbraw/zinc/33/54/13/1086335413.db2.gz JWIKYADEUJZVEU-DLBZAZTESA-N 0 3 320.864 3.346 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)[C@H]1CC ZINC001087653663 1086341467 /nfs/dbraw/zinc/34/14/67/1086341467.db2.gz KXYITPVAOWCAHC-DZGCQCFKSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)[C@H]1CC ZINC001087657531 1086344242 /nfs/dbraw/zinc/34/42/42/1086344242.db2.gz MGBIHBSTPJLQBT-IPMKNSEASA-N 0 3 312.457 3.335 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2C)[C@H]1CC ZINC001087662617 1086347364 /nfs/dbraw/zinc/34/73/64/1086347364.db2.gz VRKSNDXWAZXTEB-RBUKOAKNSA-N 0 3 323.440 3.312 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H]1CC ZINC001087670196 1086348655 /nfs/dbraw/zinc/34/86/55/1086348655.db2.gz HRCQLIZLNDPANM-VQTJNVASSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cncc3sccc32)[C@H]1CC ZINC001087699270 1086368066 /nfs/dbraw/zinc/36/80/66/1086368066.db2.gz KHZUAEFMMCDZHN-LSDHHAIUSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1CC ZINC001087710389 1086371387 /nfs/dbraw/zinc/37/13/87/1086371387.db2.gz XZBBORDEDARVIU-JKSUJKDBSA-N 0 3 306.837 3.038 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2C)[C@H]1CC ZINC001087730233 1086382123 /nfs/dbraw/zinc/38/21/23/1086382123.db2.gz VFBNVOIGKUERPG-ZWKOTPCHSA-N 0 3 315.461 3.282 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)[C@H]1CC ZINC001087767070 1086402913 /nfs/dbraw/zinc/40/29/13/1086402913.db2.gz ICMRMBMECPGZFF-LSDHHAIUSA-N 0 3 306.837 3.417 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2sccc2COC)[C@H]1CC ZINC001087796101 1086413289 /nfs/dbraw/zinc/41/32/89/1086413289.db2.gz JDGDKUOQQRZSRU-LSDHHAIUSA-N 0 3 322.474 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1CC ZINC001087801924 1086415196 /nfs/dbraw/zinc/41/51/96/1086415196.db2.gz NLAKIDTWQNQYCC-RYQLBKOJSA-N 0 3 300.446 3.254 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1CC ZINC001087813972 1086421337 /nfs/dbraw/zinc/42/13/37/1086421337.db2.gz QLFHITYGNSEQIG-NWDGAFQWSA-N 0 3 312.360 3.376 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3ccccc32)[C@H]1CC ZINC001087816663 1086424890 /nfs/dbraw/zinc/42/48/90/1086424890.db2.gz ADOZOFBLQFDYIU-VQTJNVASSA-N 0 3 320.436 3.446 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1CC ZINC001087837874 1086435233 /nfs/dbraw/zinc/43/52/33/1086435233.db2.gz HWGRGVOLXHUGQL-NZSAHSFTSA-N 0 3 312.457 3.091 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1CC ZINC001087838036 1086436514 /nfs/dbraw/zinc/43/65/14/1086436514.db2.gz OSCWBDCAYHQJHZ-BPQIPLTHSA-N 0 3 300.446 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(Cl)cccc2OC)[C@H]1CC ZINC001087840470 1086437273 /nfs/dbraw/zinc/43/72/73/1086437273.db2.gz ZCCACIIBCQESLF-UONOGXRCSA-N 0 3 322.836 3.117 20 30 DGEDHN CCN(Cc1cc(Br)ccc1C#N)C1CCOCC1 ZINC001141903097 1086513650 /nfs/dbraw/zinc/51/36/50/1086513650.db2.gz QFSARXIANCXHJD-UHFFFAOYSA-N 0 3 323.234 3.322 20 30 DGEDHN C=C(Cl)CNC[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)C)C1 ZINC001105406198 1086528416 /nfs/dbraw/zinc/52/84/16/1086528416.db2.gz JYDUCIYCTHHDRH-MAEOIBBWSA-N 0 3 320.864 3.201 20 30 DGEDHN C=CCN[C@@H](CNC(=O)/C=C\c1ccco1)c1ccccc1CC ZINC001271439347 1086629157 /nfs/dbraw/zinc/62/91/57/1086629157.db2.gz RSWHPXXEAALEES-JZHDPFOFSA-N 0 3 324.424 3.488 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@@H]2C1 ZINC001088177116 1086645924 /nfs/dbraw/zinc/64/59/24/1086645924.db2.gz GVTHCVHSCCCNRS-MKXGPGLRSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccns1 ZINC001482494822 1086718226 /nfs/dbraw/zinc/71/82/26/1086718226.db2.gz YONQFSCNNYYQET-ZBFHGGJFSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCc2ccco2)C1 ZINC001088260409 1086734510 /nfs/dbraw/zinc/73/45/10/1086734510.db2.gz FJYSZSYJNMHVQR-HNNXBMFYSA-N 0 3 324.852 3.326 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001088289529 1086766692 /nfs/dbraw/zinc/76/66/92/1086766692.db2.gz QGJLPZZUNIRFEF-CAOSSQGBSA-N 0 3 310.869 3.146 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@@H](C)CC)CC1 ZINC001271826535 1086784530 /nfs/dbraw/zinc/78/45/30/1086784530.db2.gz HRHSOXHIFMBMDL-INIZCTEOSA-N 0 3 315.461 3.107 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c(C)cc(C)nc1C)C(C)C ZINC001271869729 1086799093 /nfs/dbraw/zinc/79/90/93/1086799093.db2.gz QORISWCURONGGE-HNNXBMFYSA-N 0 3 323.868 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(F)CCCC2)C1 ZINC001088338603 1086822434 /nfs/dbraw/zinc/82/24/34/1086822434.db2.gz KICGLRZNOBTQKK-AWEZNQCLSA-N 0 3 316.848 3.382 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCC(C)C ZINC001272046823 1087028100 /nfs/dbraw/zinc/02/81/00/1087028100.db2.gz ZKAVERWWQUQYFT-QZTJIDSGSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cccc2c1CCCCC2 ZINC001482606092 1087049017 /nfs/dbraw/zinc/04/90/17/1087049017.db2.gz NESYMLRSBJCLAW-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cn(CC)c2ccccc12 ZINC001482612888 1087061456 /nfs/dbraw/zinc/06/14/56/1087061456.db2.gz UJBHXCUVPGUNCH-UHFFFAOYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001482636362 1087095476 /nfs/dbraw/zinc/09/54/76/1087095476.db2.gz UMNGQFHRWZJEBK-HNNXBMFYSA-N 0 3 306.425 3.286 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211957039 1087099518 /nfs/dbraw/zinc/09/95/18/1087099518.db2.gz MNSCLWQBPLCHQV-HRSGCLKMSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2nsc3ccccc32)[C@H]1C ZINC001088588113 1087111812 /nfs/dbraw/zinc/11/18/12/1087111812.db2.gz QDURECNHMJFNMT-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)CCC)[C@H](OC)C1 ZINC001212055727 1087145066 /nfs/dbraw/zinc/14/50/66/1087145066.db2.gz UVBFHPYIUBTVSO-GVDBMIGSSA-N 0 3 312.498 3.208 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](OC)C1 ZINC001212051423 1087145520 /nfs/dbraw/zinc/14/55/20/1087145520.db2.gz YQINIZKYFBFIDS-XMNQGQKYSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(CC)s1 ZINC001482849092 1087170939 /nfs/dbraw/zinc/17/09/39/1087170939.db2.gz AUOVTSHQINXCCI-LLVKDONJSA-N 0 3 300.855 3.161 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1nc(C)sc1C ZINC001482867211 1087175505 /nfs/dbraw/zinc/17/55/05/1087175505.db2.gz FVWUPRXVEXCDPW-SJCJKPOMSA-N 0 3 323.506 3.347 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001482866470 1087175821 /nfs/dbraw/zinc/17/58/21/1087175821.db2.gz ARGGSELPHIHJRQ-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(C2CC2)c1 ZINC001482904620 1087185765 /nfs/dbraw/zinc/18/57/65/1087185765.db2.gz ZAHGFVVOVKXJLR-CYBMUJFWSA-N 0 3 306.837 3.415 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CCc1ccc(C)c(Cl)c1 ZINC001482940891 1087193074 /nfs/dbraw/zinc/19/30/74/1087193074.db2.gz KDVVXXNLTGLNJW-UHFFFAOYSA-N 0 3 320.864 3.042 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1cc(Cl)cs1 ZINC001272118271 1087209711 /nfs/dbraw/zinc/20/97/11/1087209711.db2.gz XOUBETPCLLBLQF-UHFFFAOYSA-N 0 3 314.882 3.300 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001272137023 1087216580 /nfs/dbraw/zinc/21/65/80/1087216580.db2.gz BJRRYXBPHUEODM-SJORKVTESA-N 0 3 306.494 3.252 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(N(CC)CC)cc1 ZINC001272158440 1087223055 /nfs/dbraw/zinc/22/30/55/1087223055.db2.gz KQUMPRIIOSPDHW-UHFFFAOYSA-N 0 3 317.477 3.113 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CNCc1ccc(Cl)cc1C ZINC001483001155 1087229088 /nfs/dbraw/zinc/22/90/88/1087229088.db2.gz ANGUKDVWONBLOO-SREVYHEPSA-N 0 3 318.848 3.214 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)[C@H]1C ZINC001088656598 1087248514 /nfs/dbraw/zinc/24/85/14/1087248514.db2.gz YMECNIAHECDBAO-PBHICJAKSA-N 0 3 320.864 3.346 20 30 DGEDHN C=C(C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001142511403 1087275401 /nfs/dbraw/zinc/27/54/01/1087275401.db2.gz GZXMVNKGNZMLAD-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001483127898 1087388674 /nfs/dbraw/zinc/38/86/74/1087388674.db2.gz ZJOSRENLIRHRRI-IEBWSBKVSA-N 0 3 324.468 3.103 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001483127899 1087388724 /nfs/dbraw/zinc/38/87/24/1087388724.db2.gz ZJOSRENLIRHRRI-MJGOQNOKSA-N 0 3 324.468 3.103 20 30 DGEDHN C[C@H](NCCNC(=O)C#CC(C)(C)C)c1ccc(F)c(Cl)c1 ZINC001126907019 1087389153 /nfs/dbraw/zinc/38/91/53/1087389153.db2.gz BKWCRMWJSACSRK-LBPRGKRZSA-N 0 3 324.827 3.295 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1C ZINC001088833950 1087410665 /nfs/dbraw/zinc/41/06/65/1087410665.db2.gz RCXQKODPBDODGX-VBQJREDUSA-N 0 3 318.848 3.046 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2-n2cccc2)[C@H]1C ZINC001088834564 1087413844 /nfs/dbraw/zinc/41/38/44/1087413844.db2.gz ZYVWELPEVHIOAX-AEFFLSMTSA-N 0 3 323.440 3.246 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001483343188 1087476605 /nfs/dbraw/zinc/47/66/05/1087476605.db2.gz WIOORPCNKMVQHK-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc2c(c1)COC2 ZINC001483378616 1087486105 /nfs/dbraw/zinc/48/61/05/1087486105.db2.gz OKDLZKKCLGOIRC-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)CCc2ccccc2F)C1 ZINC001483383535 1087487511 /nfs/dbraw/zinc/48/75/11/1087487511.db2.gz KVIIFYZAOKVJKB-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001483490027 1087514723 /nfs/dbraw/zinc/51/47/23/1087514723.db2.gz VWLWHLXNTZKSMF-LJQANCHMSA-N 0 3 313.445 3.099 20 30 DGEDHN C#CCCCC(=O)N[C@@H](CN[C@H](C)c1ccccc1F)C1CC1 ZINC001483559093 1087525627 /nfs/dbraw/zinc/52/56/27/1087525627.db2.gz ZVWOCTPPJGKFLL-KDOFPFPSSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cscc1C(F)F ZINC001483651495 1087604166 /nfs/dbraw/zinc/60/41/66/1087604166.db2.gz SIXGOPCAAHKGSR-NSHDSACASA-N 0 3 314.401 3.456 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001483659750 1087611103 /nfs/dbraw/zinc/61/11/03/1087611103.db2.gz UDSZLXKKGKONPK-GHOSXJJBSA-N 0 3 312.457 3.332 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)[C@H]1C ZINC001088966939 1087611821 /nfs/dbraw/zinc/61/18/21/1087611821.db2.gz JZLWMKQDRGWPEV-XQQFMLRXSA-N 0 3 324.877 3.107 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2Cl)[C@H]1C ZINC001088979718 1087614346 /nfs/dbraw/zinc/61/43/46/1087614346.db2.gz CABLXLQJJWIFII-ZBFHGGJFSA-N 0 3 318.848 3.173 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001483668592 1087616272 /nfs/dbraw/zinc/61/62/72/1087616272.db2.gz JNEXMYJJQXYTNF-INIZCTEOSA-N 0 3 313.445 3.038 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)[C@H]1C ZINC001089050495 1087627826 /nfs/dbraw/zinc/62/78/26/1087627826.db2.gz HNGBXKCGIRFORD-IOASZLSFSA-N 0 3 306.837 3.209 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2c(CC)oc3ccccc32)[C@H]1C ZINC001089064238 1087629475 /nfs/dbraw/zinc/62/94/75/1087629475.db2.gz QBLRLHMAVKXFSO-ZBFHGGJFSA-N 0 3 324.424 3.211 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001483679518 1087638977 /nfs/dbraw/zinc/63/89/77/1087638977.db2.gz KCSAKTQLPXNNBH-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001483680102 1087641158 /nfs/dbraw/zinc/64/11/58/1087641158.db2.gz VRTYLLSONNCIDO-DLBZAZTESA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001483684020 1087649971 /nfs/dbraw/zinc/64/99/71/1087649971.db2.gz BTUCZRXRQWJCRE-NZSAHSFTSA-N 0 3 312.457 3.255 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001483686446 1087652964 /nfs/dbraw/zinc/65/29/64/1087652964.db2.gz ORAIGOORMPOOKY-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001483704185 1087679648 /nfs/dbraw/zinc/67/96/48/1087679648.db2.gz GZHIJAZNAZWHPP-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001483704184 1087680051 /nfs/dbraw/zinc/68/00/51/1087680051.db2.gz GZHIJAZNAZWHPP-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001483708438 1087683929 /nfs/dbraw/zinc/68/39/29/1087683929.db2.gz XCDZRYJGWUAFAH-WXJALIKYSA-N 0 3 318.505 3.439 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001483720697 1087699778 /nfs/dbraw/zinc/69/97/78/1087699778.db2.gz BZUNIUKDQZKYPJ-LBPRGKRZSA-N 0 3 308.372 3.230 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001099166269 1087716395 /nfs/dbraw/zinc/71/63/95/1087716395.db2.gz UCBWOEJDKIIXLW-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CCC)OCC ZINC001099181671 1087788290 /nfs/dbraw/zinc/78/82/90/1087788290.db2.gz BMNRYBAGMQPTQI-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CC[C@H](C(=O)NCCNCc1ccsc1)c1ccccc1 ZINC001151838225 1087791465 /nfs/dbraw/zinc/79/14/65/1087791465.db2.gz MIDGHPOHIQLUCK-KRWDZBQOSA-N 0 3 314.454 3.314 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 ZINC001158412513 1087823458 /nfs/dbraw/zinc/82/34/58/1087823458.db2.gz NKXRYCOAAFNFHR-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC2CCCCC2)CC(C)(C)C1 ZINC001089309919 1087849070 /nfs/dbraw/zinc/84/90/70/1087849070.db2.gz PIOYPNFOMWFZBU-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@H](C(=O)NCCNCc1cccc(F)c1)c1ccccc1 ZINC001151990816 1087858679 /nfs/dbraw/zinc/85/86/79/1087858679.db2.gz PKSUTNGVWXGNOK-SFHVURJKSA-N 0 3 312.388 3.001 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](CC)OC1CCCC1 ZINC001158541941 1087904771 /nfs/dbraw/zinc/90/47/71/1087904771.db2.gz ZBGGEUORCUPLJT-AEFFLSMTSA-N 0 3 322.493 3.223 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001153187943 1088181246 /nfs/dbraw/zinc/18/12/46/1088181246.db2.gz PGDSWXWLFWMGPW-RBFDBLARSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)(F)F ZINC001099235845 1088225775 /nfs/dbraw/zinc/22/57/75/1088225775.db2.gz UKGYOBKVPVIOFO-KGLIPLIRSA-N 0 3 316.436 3.461 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2nc1C ZINC001159209697 1088234867 /nfs/dbraw/zinc/23/48/67/1088234867.db2.gz VWZLRMMCZPLELT-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cncc2ccccc21 ZINC001123234607 1088367781 /nfs/dbraw/zinc/36/77/81/1088367781.db2.gz YIHNUAHBFHXBSK-KRWDZBQOSA-N 0 3 318.380 3.260 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2oc(C)cc2C)CC(C)(C)C1 ZINC001089349104 1088378277 /nfs/dbraw/zinc/37/82/77/1088378277.db2.gz YQJGYMJSOPZHMC-MRXNPFEDSA-N 0 3 316.445 3.140 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C)cc2C)C1=O ZINC001272640280 1088381055 /nfs/dbraw/zinc/38/10/55/1088381055.db2.gz WOZACTAJGAXPSA-HXUWFJFHSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3cccc(F)c3)CC2)C1=O ZINC001272653899 1088461029 /nfs/dbraw/zinc/46/10/29/1088461029.db2.gz QGLHVWWPQBDOCG-LJQANCHMSA-N 0 3 316.420 3.216 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3cccc(F)c3)CC2)C1=O ZINC001272654254 1088463043 /nfs/dbraw/zinc/46/30/43/1088463043.db2.gz VLRJYCNFFZNTDL-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccc(C)cc2)CC1 ZINC001483756664 1088521964 /nfs/dbraw/zinc/52/19/64/1088521964.db2.gz GONHLIMNFYDZAN-UHFFFAOYSA-N 0 3 300.446 3.336 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccc(CC)cc2)CC1 ZINC001483760719 1088555934 /nfs/dbraw/zinc/55/59/34/1088555934.db2.gz WOLBDSDQOKELMG-UHFFFAOYSA-N 0 3 312.457 3.181 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(CC)o2)CC(C)(C)C1 ZINC001089423868 1088590528 /nfs/dbraw/zinc/59/05/28/1088590528.db2.gz PNQUPTQFQNFMQX-OAHLLOKOSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)CC(C)(C)C1 ZINC001089434511 1088600041 /nfs/dbraw/zinc/60/00/41/1088600041.db2.gz TVBQGSKJRVACKU-OAHLLOKOSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1coc2ccccc12 ZINC001272667174 1088602946 /nfs/dbraw/zinc/60/29/46/1088602946.db2.gz MSFOZGHHJFKUSR-FQEVSTJZSA-N 0 3 322.408 3.023 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001483764317 1088648641 /nfs/dbraw/zinc/64/86/41/1088648641.db2.gz FXSITWFBVAEIFX-UHFFFAOYSA-N 0 3 306.837 3.435 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccs2)CC(C)(C)C1 ZINC001089491174 1088684896 /nfs/dbraw/zinc/68/48/96/1088684896.db2.gz JLZAELWSJHPNCT-LSDHHAIUSA-N 0 3 318.486 3.092 20 30 DGEDHN CC(C)CCCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483769644 1088705522 /nfs/dbraw/zinc/70/55/22/1088705522.db2.gz OPEOWWQANCWHRX-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)Cc2c(C)cccc2C)CC1 ZINC001160257790 1088726290 /nfs/dbraw/zinc/72/62/90/1088726290.db2.gz DMFJEECLZKBIAS-UHFFFAOYSA-N 0 3 324.468 3.008 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)CC(C)(C)C1 ZINC001089560957 1088746063 /nfs/dbraw/zinc/74/60/63/1088746063.db2.gz KYCOPWICZBBVBX-IBGZPJMESA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001160330716 1088756641 /nfs/dbraw/zinc/75/66/41/1088756641.db2.gz JBGRTLSQVBELJH-HNNXBMFYSA-N 0 3 312.404 3.136 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001160330717 1088759458 /nfs/dbraw/zinc/75/94/58/1088759458.db2.gz JBGRTLSQVBELJH-OAHLLOKOSA-N 0 3 312.404 3.136 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1F ZINC001089602085 1088797690 /nfs/dbraw/zinc/79/76/90/1088797690.db2.gz VXSYHSFXOKLNIC-HNNXBMFYSA-N 0 3 316.420 3.069 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2ccccc2CC)CC1 ZINC001160463074 1088815658 /nfs/dbraw/zinc/81/56/58/1088815658.db2.gz VXFGNKXLNQZPOH-UHFFFAOYSA-N 0 3 312.457 3.116 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001089608776 1088815689 /nfs/dbraw/zinc/81/56/89/1088815689.db2.gz AFSBLYWAUOGVKJ-INIZCTEOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1F ZINC001089621611 1088831058 /nfs/dbraw/zinc/83/10/58/1088831058.db2.gz XQXROBLLOKMTAE-AWEZNQCLSA-N 0 3 319.424 3.017 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ncoc1CC ZINC001089620731 1088831288 /nfs/dbraw/zinc/83/12/88/1088831288.db2.gz DFHNJCGTJBHVON-AWEZNQCLSA-N 0 3 319.449 3.034 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001089630696 1088852111 /nfs/dbraw/zinc/85/21/11/1088852111.db2.gz UKTFAVYQUHIPII-CQSZACIVSA-N 0 3 319.449 3.034 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963663 1088859296 /nfs/dbraw/zinc/85/92/96/1088859296.db2.gz SNJZJCPYQRNAMD-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccsc1C ZINC001089635560 1088861433 /nfs/dbraw/zinc/86/14/33/1088861433.db2.gz UDAMQANONWECCW-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001160552634 1088866805 /nfs/dbraw/zinc/86/68/05/1088866805.db2.gz WRSXBMDWMYCEFG-RBUKOAKNSA-N 0 3 316.489 3.365 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001483832690 1088935451 /nfs/dbraw/zinc/93/54/51/1088935451.db2.gz MQBQJDPRLJOGGH-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)CC1 ZINC001483836514 1088951274 /nfs/dbraw/zinc/95/12/74/1088951274.db2.gz BMFOBWNMPVZMDU-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCc2cccc(C)c2)CC1 ZINC001160798476 1088965757 /nfs/dbraw/zinc/96/57/57/1088965757.db2.gz ILFJRHLNPLFTGY-UHFFFAOYSA-N 0 3 312.457 3.252 20 30 DGEDHN C#CCN1CC[C@]2(CCCN(Cc3cccc(C)c3C)CC2)C1=O ZINC001272679036 1088982483 /nfs/dbraw/zinc/98/24/83/1088982483.db2.gz WVRXLUNYAJLNHL-OAQYLSRUSA-N 0 3 324.468 3.141 20 30 DGEDHN Cc1nc(-n2c3ccccc3nc2[C@@H](C)N)c(Cl)cc1C#N ZINC001155257207 1089032759 /nfs/dbraw/zinc/03/27/59/1089032759.db2.gz YNNHTPWAALDDRK-SECBINFHSA-N 0 3 311.776 3.274 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nnc(Cl)c(CC)c1CC ZINC001160954183 1089040795 /nfs/dbraw/zinc/04/07/95/1089040795.db2.gz QHYNCTZSYSHDGG-LBPRGKRZSA-N 0 3 308.857 3.317 20 30 DGEDHN C#CCN(C(=O)[C@H]1C[C@@H]1C(C)C)C1CCN(CC=C(C)C)CC1 ZINC001483988499 1089073365 /nfs/dbraw/zinc/07/33/65/1089073365.db2.gz CWMRTXUNCQWWBC-MOPGFXCFSA-N 0 3 316.489 3.171 20 30 DGEDHN Cc1cc(CN2CC[C@@](C)(NC(=O)C#CC(C)C)C2)c(C)s1 ZINC001484046373 1089122831 /nfs/dbraw/zinc/12/28/31/1089122831.db2.gz QWWVIZHVAGIWNM-GOSISDBHSA-N 0 3 318.486 3.105 20 30 DGEDHN C#CCCCCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001484041015 1089128182 /nfs/dbraw/zinc/12/81/82/1089128182.db2.gz PQXRXSDAMRCGLX-GOSISDBHSA-N 0 3 318.486 3.331 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001484054415 1089142266 /nfs/dbraw/zinc/14/22/66/1089142266.db2.gz KVVUCBMJDXSJEU-GOSISDBHSA-N 0 3 320.864 3.429 20 30 DGEDHN CCC[C@@H](C)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155524247 1089146236 /nfs/dbraw/zinc/14/62/36/1089146236.db2.gz WBNHKGRGCNJTOF-CQSZACIVSA-N 0 3 319.424 3.120 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)c2cccs2)CC1 ZINC001161194447 1089150354 /nfs/dbraw/zinc/15/03/54/1089150354.db2.gz HPQYLZPNDXTLRC-OAHLLOKOSA-N 0 3 316.470 3.013 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(C)cc1Cl ZINC001161197004 1089151079 /nfs/dbraw/zinc/15/10/79/1089151079.db2.gz JLWOTHPALPLJKW-UHFFFAOYSA-N 0 3 315.244 3.039 20 30 DGEDHN N#Cc1cc2c(nc1N[C@@H]1CNCc3ccsc31)CCCC2 ZINC001155566003 1089167486 /nfs/dbraw/zinc/16/74/86/1089167486.db2.gz XDRJQYKUCODOSZ-OAHLLOKOSA-N 0 3 310.426 3.150 20 30 DGEDHN C=CCN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1)C1CCCCC1 ZINC001161247646 1089169298 /nfs/dbraw/zinc/16/92/98/1089169298.db2.gz FXPLEVYDLBBIBP-GXTWGEPZSA-N 0 3 318.383 3.264 20 30 DGEDHN N#Cc1ccccc1CNCCCNC(=O)C1CCCCCC1 ZINC001155572935 1089172428 /nfs/dbraw/zinc/17/24/28/1089172428.db2.gz MIASUBRXPJLBLH-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001089692914 1089193835 /nfs/dbraw/zinc/19/38/35/1089193835.db2.gz DMWNPJSVXOZTEE-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN N#Cc1ccc(-c2cccs2)nc1N[C@H]1CN2CCC1CC2 ZINC001155668523 1089207837 /nfs/dbraw/zinc/20/78/37/1089207837.db2.gz XOHHABPUGFYBCV-HNNXBMFYSA-N 0 3 310.426 3.188 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C12CCC(CC1)C2(C)C ZINC001155694084 1089214866 /nfs/dbraw/zinc/21/48/66/1089214866.db2.gz CMIKZDDBZDXCFL-MDCZIUGASA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(CCC(F)(F)F)CC1 ZINC001484140079 1089220378 /nfs/dbraw/zinc/22/03/78/1089220378.db2.gz MHUKJEIZYMJTMQ-UHFFFAOYSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001161427346 1089238070 /nfs/dbraw/zinc/23/80/70/1089238070.db2.gz JBFRWVHZOZPYLA-CQSZACIVSA-N 0 3 317.433 3.126 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001155783152 1089243620 /nfs/dbraw/zinc/24/36/20/1089243620.db2.gz PCQBWCRWIQSUKX-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)n(CC)c2C)C1 ZINC001484162166 1089250736 /nfs/dbraw/zinc/25/07/36/1089250736.db2.gz DAZTZEBATKEKAA-IBGZPJMESA-N 0 3 317.477 3.143 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001089703754 1089255795 /nfs/dbraw/zinc/25/57/95/1089255795.db2.gz QIJFMIQAVVDDSJ-HZPDHXFCSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001089703755 1089256281 /nfs/dbraw/zinc/25/62/81/1089256281.db2.gz QIJFMIQAVVDDSJ-JKSUJKDBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001484174805 1089270383 /nfs/dbraw/zinc/27/03/83/1089270383.db2.gz LEZWJUBPWLSEOX-IBGZPJMESA-N 0 3 300.446 3.321 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001155957994 1089313471 /nfs/dbraw/zinc/31/34/71/1089313471.db2.gz LQDRFEFVFZBGRI-MRXNPFEDSA-N 0 3 314.473 3.448 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001161623052 1089317859 /nfs/dbraw/zinc/31/78/59/1089317859.db2.gz ZAOMARQYACMQPK-AZUAARDMSA-N 0 3 316.489 3.220 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)o1)c1ccccc1CC ZINC001484323884 1089334332 /nfs/dbraw/zinc/33/43/32/1089334332.db2.gz JACATFNEKURGGP-KRWDZBQOSA-N 0 3 312.413 3.397 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2sccc2C#N)c(F)c1 ZINC001161699947 1089354960 /nfs/dbraw/zinc/35/49/60/1089354960.db2.gz LPJPBGZEWBZZEG-UHFFFAOYSA-N 0 3 303.362 3.073 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1CCC[C@H]1C ZINC001484398492 1089396380 /nfs/dbraw/zinc/39/63/80/1089396380.db2.gz AFQLXEREWULEJY-IEBWSBKVSA-N 0 3 312.457 3.064 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001272683327 1089422716 /nfs/dbraw/zinc/42/27/16/1089422716.db2.gz PRZITEMSKIRGSL-CQSZACIVSA-N 0 3 312.438 3.352 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001161824412 1089426700 /nfs/dbraw/zinc/42/67/00/1089426700.db2.gz KIAKZRZYKBFVAF-UHFFFAOYSA-N 0 3 312.457 3.170 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001161829206 1089429740 /nfs/dbraw/zinc/42/97/40/1089429740.db2.gz OZBWQSSRXDJIEF-UHFFFAOYSA-N 0 3 324.468 3.387 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001484513934 1089455091 /nfs/dbraw/zinc/45/50/91/1089455091.db2.gz FBJCLJWDRQVTDO-WCVJEAGWSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(F)ccc2C)C1 ZINC001484532467 1089468084 /nfs/dbraw/zinc/46/80/84/1089468084.db2.gz OVLHYBZOAVFQMJ-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CCC1 ZINC001089793260 1089472171 /nfs/dbraw/zinc/47/21/71/1089472171.db2.gz UMAOQGSYZSBSSF-HZMVEIRTSA-N 0 3 322.880 3.098 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC001161946820 1089486530 /nfs/dbraw/zinc/48/65/30/1089486530.db2.gz GHKFOAFQCIPPMK-UHFFFAOYSA-N 0 3 324.468 3.351 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c[nH]c3ccc(C)cc23)CC1 ZINC001161963387 1089495995 /nfs/dbraw/zinc/49/59/95/1089495995.db2.gz DFBJWEMUXHXDNQ-UHFFFAOYSA-N 0 3 323.440 3.414 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)C(CC)CC)C2)CC1 ZINC001484579649 1089515601 /nfs/dbraw/zinc/51/56/01/1089515601.db2.gz FROWCKRIMWIWAV-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CC(C)C)cccc2C1 ZINC001484611952 1089527880 /nfs/dbraw/zinc/52/78/80/1089527880.db2.gz ZEYYWYVHWPQBPD-UHFFFAOYSA-N 0 3 300.446 3.283 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001156467085 1089535478 /nfs/dbraw/zinc/53/54/78/1089535478.db2.gz ZEKVNNUPPUIBDB-QGZVFWFLSA-N 0 3 314.473 3.123 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001484649122 1089565847 /nfs/dbraw/zinc/56/58/47/1089565847.db2.gz DLKLERRQXXNMCD-MRXNPFEDSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CCC2CCCCC2)CC1 ZINC001484726061 1089619108 /nfs/dbraw/zinc/61/91/08/1089619108.db2.gz HZWWISXHDAKUEJ-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN CN(CCCN(C)C(=O)C#CC1CC1)Cc1ccc(Cl)s1 ZINC001484742196 1089635268 /nfs/dbraw/zinc/63/52/68/1089635268.db2.gz SLUZGFKSPPFFBJ-UHFFFAOYSA-N 0 3 324.877 3.095 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001156712126 1089658766 /nfs/dbraw/zinc/65/87/66/1089658766.db2.gz GREDKGZNQOLYBS-KLAILNCOSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1-c1ccccc1 ZINC001156758004 1089679673 /nfs/dbraw/zinc/67/96/73/1089679673.db2.gz OMOGCPUFWOCSKB-QGZVFWFLSA-N 0 3 320.436 3.427 20 30 DGEDHN C#CCCCCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001156812457 1089703856 /nfs/dbraw/zinc/70/38/56/1089703856.db2.gz UCDVILSOZNTJQW-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC001484887621 1089723085 /nfs/dbraw/zinc/72/30/85/1089723085.db2.gz CYWUPJVFCWUMNG-GUYCJALGSA-N 0 3 322.399 3.258 20 30 DGEDHN CC(C)C[C@](C)(C#N)Nc1cc(OC2CCN(C)CC2)ccn1 ZINC001162519911 1089769203 /nfs/dbraw/zinc/76/92/03/1089769203.db2.gz NTWRTCNWVPQCIP-GOSISDBHSA-N 0 3 316.449 3.295 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H](C)N(CC)CC#CC)c1ccccc1 ZINC001157069091 1089809044 /nfs/dbraw/zinc/80/90/44/1089809044.db2.gz NDIRVYVHRRWHHL-MSOLQXFVSA-N 0 3 312.457 3.196 20 30 DGEDHN CCC1(C(=O)NCC[C@H](C)NCc2ccccc2C#N)CCC1 ZINC001484997368 1089817677 /nfs/dbraw/zinc/81/76/77/1089817677.db2.gz ILVZRFHSRUAQHI-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC(C)(C)c1ccccc1 ZINC001157109256 1089826134 /nfs/dbraw/zinc/82/61/34/1089826134.db2.gz KWQNTIGEJUEFBW-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCc1cc(C)sc1C ZINC001157172447 1089854428 /nfs/dbraw/zinc/85/44/28/1089854428.db2.gz PQVDFXGSWXOYIY-CQSZACIVSA-N 0 3 320.502 3.147 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001485039363 1089874896 /nfs/dbraw/zinc/87/48/96/1089874896.db2.gz VSSIABAAZILLFC-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001485067205 1089901217 /nfs/dbraw/zinc/90/12/17/1089901217.db2.gz JOCVJRYFSYBJRX-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1c(C)cc(C)cc1C ZINC001485068379 1089904631 /nfs/dbraw/zinc/90/46/31/1089904631.db2.gz DMFFPCLNOJPQBF-GOSISDBHSA-N 0 3 314.473 3.263 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(OCCC)c1 ZINC001485058740 1089909044 /nfs/dbraw/zinc/90/90/44/1089909044.db2.gz UNBLOXLTHWCJMP-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)/C(C)=C\CC ZINC001162733161 1089910698 /nfs/dbraw/zinc/91/06/98/1089910698.db2.gz QMXSSYZGZMDNDY-ZDLGFXPLSA-N 0 3 312.457 3.027 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC1=CCCCC1 ZINC001162741062 1089916264 /nfs/dbraw/zinc/91/62/64/1089916264.db2.gz GIGIFIJZYZZTIZ-UHFFFAOYSA-N 0 3 324.468 3.171 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@@H](C)CCC ZINC001162747475 1089922425 /nfs/dbraw/zinc/92/24/25/1089922425.db2.gz WDZOFVIEPCIQOI-SFHVURJKSA-N 0 3 314.473 3.107 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c[nH]cc1-c1ccccc1 ZINC001485076397 1089927223 /nfs/dbraw/zinc/92/72/23/1089927223.db2.gz MRNJGAUDNWBQLE-KRWDZBQOSA-N 0 3 323.440 3.404 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H]2CN(C)CC=C)CCCCC1 ZINC001485077782 1089931109 /nfs/dbraw/zinc/93/11/09/1089931109.db2.gz DITGCSIIOKRTKJ-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1cccc2[nH]c(C#N)cc21 ZINC001162764845 1089937392 /nfs/dbraw/zinc/93/73/92/1089937392.db2.gz AOXAAXQQPRDZBV-NSHDSACASA-N 0 3 301.353 3.398 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1cc(C#N)cc2[nH]ccc21 ZINC001162777146 1089949031 /nfs/dbraw/zinc/94/90/31/1089949031.db2.gz LYRYLGQUUGQIQP-NSHDSACASA-N 0 3 301.353 3.398 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@]1(C)CC=CCC1 ZINC001162822587 1089978637 /nfs/dbraw/zinc/97/86/37/1089978637.db2.gz SXCUZXPXOZHZJD-OAQYLSRUSA-N 0 3 324.468 3.027 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC(C)(C)CC ZINC001162822643 1089978943 /nfs/dbraw/zinc/97/89/43/1089978943.db2.gz WJUKLNIBNWOZOK-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001485201933 1090016780 /nfs/dbraw/zinc/01/67/80/1090016780.db2.gz NMNMYSCXTLSOMI-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C(C)(C)CCC ZINC001162911186 1090020982 /nfs/dbraw/zinc/02/09/82/1090020982.db2.gz FWYONZARPYSYHH-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)C[C@H]1CC(C)(C)CO1 ZINC001157710972 1090083352 /nfs/dbraw/zinc/08/33/52/1090083352.db2.gz PDCKGKDMJHOEDT-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001485295669 1090087140 /nfs/dbraw/zinc/08/71/40/1090087140.db2.gz LXFXSYXVYIXHRH-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1coc2ccc(Cl)cc12 ZINC001485379846 1090139401 /nfs/dbraw/zinc/13/94/01/1090139401.db2.gz UJVDVNBCPWPLSU-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001493963946 1090149040 /nfs/dbraw/zinc/14/90/40/1090149040.db2.gz IMTPQMVIOROLDY-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC(F)(F)C1 ZINC001158050701 1090178250 /nfs/dbraw/zinc/17/82/50/1090178250.db2.gz SGZXJDKNQDRMFO-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1[nH]ccc1C1CC1 ZINC001158050768 1090178478 /nfs/dbraw/zinc/17/84/78/1090178478.db2.gz VYZZFNHBZYMPMR-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001158071941 1090181769 /nfs/dbraw/zinc/18/17/69/1090181769.db2.gz YWWUFYWLODHIPY-MRXNPFEDSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(Cl)o2)CC1 ZINC001163417384 1090183159 /nfs/dbraw/zinc/18/31/59/1090183159.db2.gz MPSNRHAFWGYWTP-UHFFFAOYSA-N 0 3 317.216 3.175 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001158124408 1090188872 /nfs/dbraw/zinc/18/88/72/1090188872.db2.gz MGFGGBPVVBEWOJ-IXDOHACOSA-N 0 3 318.486 3.351 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001485502456 1090195343 /nfs/dbraw/zinc/19/53/43/1090195343.db2.gz FJFROVCFPPXTLK-QGZVFWFLSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001485502454 1090195988 /nfs/dbraw/zinc/19/59/88/1090195988.db2.gz FJFROVCFPPXTLK-KRWDZBQOSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(COC)cs1 ZINC001158190598 1090197925 /nfs/dbraw/zinc/19/79/25/1090197925.db2.gz IQDOIEJASUJBSY-OAHLLOKOSA-N 0 3 322.474 3.007 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\Cc2ccccc2)C(C)(C)C1 ZINC001485570464 1090211643 /nfs/dbraw/zinc/21/16/43/1090211643.db2.gz DYJYXWKCMOBSCB-GIFJBRJJSA-N 0 3 312.457 3.188 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC(C)(C)C)C[C@H]2C1 ZINC001485652702 1090228014 /nfs/dbraw/zinc/22/80/14/1090228014.db2.gz DRIWTJHZKGGEDM-KKUMJFAQSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[C@H]2CC)C1 ZINC001485688327 1090240999 /nfs/dbraw/zinc/24/09/99/1090240999.db2.gz FIJJURPXOHWDMP-KCYZZUKISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNCc1ccns1 ZINC001485732146 1090259731 /nfs/dbraw/zinc/25/97/31/1090259731.db2.gz DIQJYEKTWKRLKQ-ZDUSSCGKSA-N 0 3 309.479 3.120 20 30 DGEDHN C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC001485769650 1090274522 /nfs/dbraw/zinc/27/45/22/1090274522.db2.gz MWHMYECRFWNJFZ-UHFFFAOYSA-N 0 3 324.424 3.200 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(CC)CC2)C1 ZINC001089861531 1090313133 /nfs/dbraw/zinc/31/31/33/1090313133.db2.gz IGQMOWOJVNBUIP-VGWMRTNUSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc3cc[nH]c3c2)C1=O ZINC001272734678 1090336630 /nfs/dbraw/zinc/33/66/30/1090336630.db2.gz YCUPHRKENMFCFM-FQEVSTJZSA-N 0 3 323.440 3.311 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2conc2C)CCCCC1 ZINC001115667099 1090385727 /nfs/dbraw/zinc/38/57/27/1090385727.db2.gz TWUBSSWDNVBSTN-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164323073 1090400511 /nfs/dbraw/zinc/40/05/11/1090400511.db2.gz AZVSVLLGXZVLET-OAHLLOKOSA-N 0 3 321.465 3.305 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001164346114 1090407529 /nfs/dbraw/zinc/40/75/29/1090407529.db2.gz LBKNSDPRHSJDJF-CYBMUJFWSA-N 0 3 310.388 3.163 20 30 DGEDHN CC(C)[Si](C#C[NH2+]CCCc1c[n-][nH]c1=O)(C(C)C)C(C)C ZINC001164373966 1090417190 /nfs/dbraw/zinc/41/71/90/1090417190.db2.gz FXFCRBDRVAZHTC-MRXNPFEDSA-N 0 3 321.541 3.267 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107703777 1090489135 /nfs/dbraw/zinc/48/91/35/1090489135.db2.gz CZAJJSXEGHGKJG-APWZRJJASA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)c(Cl)c1F ZINC001165828748 1090552109 /nfs/dbraw/zinc/55/21/09/1090552109.db2.gz BTEHODGQLHAPSL-UHFFFAOYSA-N 0 3 323.170 3.080 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107966668 1090576185 /nfs/dbraw/zinc/57/61/85/1090576185.db2.gz LEUBYXWOTIUGDW-LPHOPBHVSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@]1(C)CN(C[C@@H](C)CC(C)C)CCO1 ZINC001107976404 1090606544 /nfs/dbraw/zinc/60/65/44/1090606544.db2.gz LNUFKWGSURGHGU-HKUYNNGSSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCC1(CNCc2ccns2)CC1 ZINC001166756055 1090651825 /nfs/dbraw/zinc/65/18/25/1090651825.db2.gz QMUPUBDODHOUQG-CQSZACIVSA-N 0 3 321.490 3.122 20 30 DGEDHN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)cc1 ZINC001272908398 1090677379 /nfs/dbraw/zinc/67/73/79/1090677379.db2.gz UUIRKLZDISITRZ-RTBURBONSA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001272915010 1090679598 /nfs/dbraw/zinc/67/95/98/1090679598.db2.gz KXGGPKRVMKGASX-KRWDZBQOSA-N 0 3 316.420 3.120 20 30 DGEDHN CCC[C@@H](C)CCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001128152780 1090697508 /nfs/dbraw/zinc/69/75/08/1090697508.db2.gz QTHXUYYJSCDQBF-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)CCC1 ZINC001485918699 1090727421 /nfs/dbraw/zinc/72/74/21/1090727421.db2.gz CNYFUSYEKQVENZ-SFHVURJKSA-N 0 3 324.468 3.221 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001485959182 1090739839 /nfs/dbraw/zinc/73/98/39/1090739839.db2.gz OHWVMHPBHGWZQE-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN CC[C@@H](C)CCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001128158917 1090742539 /nfs/dbraw/zinc/74/25/39/1090742539.db2.gz YXEAYGSVESZYJQ-CQSZACIVSA-N 0 3 321.490 3.432 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccc(Cl)s2)C[C@@H]1C ZINC001486104355 1090750734 /nfs/dbraw/zinc/75/07/34/1090750734.db2.gz CYIJBGNHWOUJRV-RYUDHWBXSA-N 0 3 312.866 3.447 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccc(Cl)s2)C[C@@H]1C ZINC001486104352 1090750851 /nfs/dbraw/zinc/75/08/51/1090750851.db2.gz CYIJBGNHWOUJRV-NWDGAFQWSA-N 0 3 312.866 3.447 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cnco2)[C@@H]1C ZINC001486176382 1090775158 /nfs/dbraw/zinc/77/51/58/1090775158.db2.gz KUDVVGLLXGSFIY-LSDHHAIUSA-N 0 3 307.438 3.228 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@@H]1C ZINC001486175054 1090776092 /nfs/dbraw/zinc/77/60/92/1090776092.db2.gz BDBBDQVQFKIRGP-DLBZAZTESA-N 0 3 304.478 3.195 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CCOCCCC)[C@H]2C)C1 ZINC001486182226 1090779379 /nfs/dbraw/zinc/77/93/79/1090779379.db2.gz VDEGQPIPVPJVES-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001276421092 1090808092 /nfs/dbraw/zinc/80/80/92/1090808092.db2.gz GTWQPOKSLRUBDY-KDOFPFPSSA-N 0 3 320.502 3.329 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CC2CCC1CC2)C(C)C ZINC001486380475 1090816667 /nfs/dbraw/zinc/81/66/67/1090816667.db2.gz IQAVAGZXGNCPMG-ABHNRTSZSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC001203914340 1090837686 /nfs/dbraw/zinc/83/76/86/1090837686.db2.gz RCKJWAZTDZEJEU-RTBURBONSA-N 0 3 319.420 3.399 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CCC2CCCCC2)CC1 ZINC001486451063 1090838794 /nfs/dbraw/zinc/83/87/94/1090838794.db2.gz UWJYOXDPTYZTMR-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCCC(C)C)CC[C@@H]1C(F)(F)F ZINC001486452918 1090843133 /nfs/dbraw/zinc/84/31/33/1090843133.db2.gz RJWNXJGRCQAIDO-KBPBESRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C(C)C)cc1 ZINC001272968652 1090939694 /nfs/dbraw/zinc/93/96/94/1090939694.db2.gz GHVSPCGPHAJQSV-NRFANRHFSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN(Cc3ccc(C)c(C)c3)CC2)C1=O ZINC001272988740 1090968169 /nfs/dbraw/zinc/96/81/69/1090968169.db2.gz WKJYSKIUXSOUOS-NRFANRHFSA-N 0 3 324.468 3.141 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2CCc2ccc(F)cc2)C1=O ZINC001273041291 1091014021 /nfs/dbraw/zinc/01/40/21/1091014021.db2.gz QTSNPAWECWCFOR-LJQANCHMSA-N 0 3 316.420 3.011 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3ccccc3s2)CCC1 ZINC001280491496 1091024579 /nfs/dbraw/zinc/02/45/79/1091024579.db2.gz RHOBVWLOWHRLAG-UHFFFAOYSA-N 0 3 312.438 3.167 20 30 DGEDHN CC[C@H](C)[C@H](CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC001204750115 1091029025 /nfs/dbraw/zinc/02/90/25/1091029025.db2.gz WAUBDZSHZXJQIR-YJBOKZPZSA-N 0 3 304.434 3.068 20 30 DGEDHN C#CCCCCCCN1CCN(c2ccccc2OC)CC1 ZINC001205046247 1091090097 /nfs/dbraw/zinc/09/00/97/1091090097.db2.gz OOQZUSJRKZZIDS-UHFFFAOYSA-N 0 3 300.446 3.401 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108131012 1091119531 /nfs/dbraw/zinc/11/95/31/1091119531.db2.gz ZBSKEMRHQFLYON-MJGOQNOKSA-N 0 3 322.493 3.295 20 30 DGEDHN COC(=O)c1ccc2c(CN3CCC[C@@H](CC#N)C3)c[nH]c2c1 ZINC001138266470 1091129187 /nfs/dbraw/zinc/12/91/87/1091129187.db2.gz VPIQKLSJAVPGCE-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN COC(=O)c1ccc2c(CN3CCC[C@H](CC#N)C3)c[nH]c2c1 ZINC001138266469 1091129319 /nfs/dbraw/zinc/12/93/19/1091129319.db2.gz VPIQKLSJAVPGCE-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001292261073 1091140839 /nfs/dbraw/zinc/14/08/39/1091140839.db2.gz JCJGDZRENVKENS-GOSISDBHSA-N 0 3 300.446 3.460 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108150626 1091155591 /nfs/dbraw/zinc/15/55/91/1091155591.db2.gz GYKAIMWADWZFNL-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC001205312131 1091178693 /nfs/dbraw/zinc/17/86/93/1091178693.db2.gz FJUCQYQICHXFFZ-OAHLLOKOSA-N 0 3 313.401 3.045 20 30 DGEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)cc1Cl ZINC001138473566 1091196323 /nfs/dbraw/zinc/19/63/23/1091196323.db2.gz UOAUTDYOTPMOQZ-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001205459444 1091228499 /nfs/dbraw/zinc/22/84/99/1091228499.db2.gz RPSZGPXNPWUNQJ-SFHVURJKSA-N 0 3 318.392 3.253 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](Oc3ccncc3C)C2)cc1 ZINC001138561013 1091231290 /nfs/dbraw/zinc/23/12/90/1091231290.db2.gz VDBGMTIWWKTXKZ-IBGZPJMESA-N 0 3 322.408 3.055 20 30 DGEDHN CN(CCCC(=O)c1cccnc1)Cc1ccc(F)c(C#N)c1 ZINC001205493563 1091235487 /nfs/dbraw/zinc/23/54/87/1091235487.db2.gz AHZVJGVKLODIRA-UHFFFAOYSA-N 0 3 311.360 3.187 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C(F)F)o1 ZINC001273151792 1091245129 /nfs/dbraw/zinc/24/51/29/1091245129.db2.gz SDQYFDSRQLYAMG-VIFPVBQESA-N 0 3 306.740 3.068 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)c1[O-] ZINC001138625575 1091261908 /nfs/dbraw/zinc/26/19/08/1091261908.db2.gz PBMRTVBLBMYZNQ-INIZCTEOSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c1[O-] ZINC001138625575 1091261917 /nfs/dbraw/zinc/26/19/17/1091261917.db2.gz PBMRTVBLBMYZNQ-INIZCTEOSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1[O-] ZINC001138629094 1091262707 /nfs/dbraw/zinc/26/27/07/1091262707.db2.gz NUCXQNOMVYCNCF-GOSISDBHSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1[O-] ZINC001138629094 1091262715 /nfs/dbraw/zinc/26/27/15/1091262715.db2.gz NUCXQNOMVYCNCF-GOSISDBHSA-N 0 3 310.397 3.169 20 30 DGEDHN O=C1C=C2CN(Cc3ccccc3OC(F)F)CCC2S1 ZINC001138910308 1091374678 /nfs/dbraw/zinc/37/46/78/1091374678.db2.gz XAYHATZHZWPGSE-ZDUSSCGKSA-N 0 3 311.353 3.062 20 30 DGEDHN C#CCN(Cc1ccccc1-n1nnc2ccccc21)C1CC1 ZINC001205882068 1091391897 /nfs/dbraw/zinc/39/18/97/1091391897.db2.gz ISFLIRQTYXFRFZ-UHFFFAOYSA-N 0 3 302.381 3.018 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccsc1 ZINC001098869125 1091401717 /nfs/dbraw/zinc/40/17/17/1091401717.db2.gz UHRBFUUZKAPJIE-HNNXBMFYSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)OC)[C@H]1C ZINC001139029688 1091424533 /nfs/dbraw/zinc/42/45/33/1091424533.db2.gz HBMNHOTUXLXHJE-ZBFHGGJFSA-N 0 3 303.402 3.025 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3oc(C(F)F)cc3C)[C@@H]2C1 ZINC001084423878 1091486757 /nfs/dbraw/zinc/48/67/57/1091486757.db2.gz FFDYDQMNJVCRJN-CHWSQXEVSA-N 0 3 324.371 3.248 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001206094491 1091489027 /nfs/dbraw/zinc/48/90/27/1091489027.db2.gz NLSAZSAFDZBTMM-UHFFFAOYSA-N 0 3 309.291 3.263 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CCc1ccc(C)s1 ZINC001273221473 1091508954 /nfs/dbraw/zinc/50/89/54/1091508954.db2.gz PEOPBURGBDQDPN-LBPRGKRZSA-N 0 3 314.882 3.226 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084634848 1091523496 /nfs/dbraw/zinc/52/34/96/1091523496.db2.gz GTHJHTKRSLQDHJ-GGPKGHCWSA-N 0 3 312.457 3.322 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](CC)CC3CCCC3)[C@@H]2C1 ZINC001084699150 1091538616 /nfs/dbraw/zinc/53/86/16/1091538616.db2.gz YMBOSWCLNHNZAD-GUDVDZBRSA-N 0 3 316.489 3.149 20 30 DGEDHN N#Cc1ccnc(-c2ccc(CN3CC4(C3)CCCOC4)cc2)c1 ZINC001139401516 1091547658 /nfs/dbraw/zinc/54/76/58/1091547658.db2.gz BNCGPGJIFDEHCL-UHFFFAOYSA-N 0 3 319.408 3.233 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccccc3C3CCC3)[C@@H]2C1 ZINC001084803253 1091575946 /nfs/dbraw/zinc/57/59/46/1091575946.db2.gz NTGCFXNLGRLICK-YLJYHZDGSA-N 0 3 322.452 3.124 20 30 DGEDHN CC1(C)OCCC12CCN(Cc1ccc(C#N)c(F)c1)CC2 ZINC001139531084 1091589597 /nfs/dbraw/zinc/58/95/97/1091589597.db2.gz KSYSHKGSBHTKPF-UHFFFAOYSA-N 0 3 302.393 3.478 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@]3(C)CCC(C)=C(C)C3)[C@@H]2C1 ZINC001084860265 1091597341 /nfs/dbraw/zinc/59/73/41/1091597341.db2.gz IDDKGHCWONKSQE-QWFCFKBJSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2cc3ccccc3s2)C1=O ZINC001273237332 1091598625 /nfs/dbraw/zinc/59/86/25/1091598625.db2.gz PBKOACPIXBXONF-LJQANCHMSA-N 0 3 324.449 3.101 20 30 DGEDHN C#C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000820347500 1091623558 /nfs/dbraw/zinc/62/35/58/1091623558.db2.gz LZOGNLYZAOZVIC-LNSITVRQSA-N 0 3 308.219 3.138 20 30 DGEDHN CC(C)[C@H](CNCC#Cc1ccccc1)C(=O)OC(C)(C)C ZINC001206463242 1091639906 /nfs/dbraw/zinc/63/99/06/1091639906.db2.gz CQYGLDLRGKNQTJ-KRWDZBQOSA-N 0 3 301.430 3.242 20 30 DGEDHN N#Cc1cccc2c(CN3CCC4(C[C@@H]4CCO)CC3)c[nH]c21 ZINC001139703401 1091647232 /nfs/dbraw/zinc/64/72/32/1091647232.db2.gz MMEUDYBCDYVQIV-INIZCTEOSA-N 0 3 309.413 3.024 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3cccc(C)c3)C[C@@H]21 ZINC001085045484 1091648701 /nfs/dbraw/zinc/64/87/01/1091648701.db2.gz RRNQHSVRYULFNK-LMMKCTJWSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3cccs3)C[C@@H]21 ZINC001085046899 1091650169 /nfs/dbraw/zinc/65/01/69/1091650169.db2.gz JBPDFWSPAPWHKF-INMHGKMJSA-N 0 3 318.486 3.036 20 30 DGEDHN CCOC(=O)[C@@H]1CCCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139725921 1091654797 /nfs/dbraw/zinc/65/47/97/1091654797.db2.gz JLDFXPOJWSCROR-MRXNPFEDSA-N 0 3 300.402 3.032 20 30 DGEDHN COC(=O)CCN(Cc1ccccc1)Cc1ccc(C)c(C#N)c1 ZINC001139724635 1091655072 /nfs/dbraw/zinc/65/50/72/1091655072.db2.gz YFQSYZNVLSUJSU-UHFFFAOYSA-N 0 3 322.408 3.432 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001098944249 1091656200 /nfs/dbraw/zinc/65/62/00/1091656200.db2.gz KFWIDAHQIPYRDI-QOTSWMAJSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CCC(C4CC4)CC3)C[C@@H]21 ZINC001085084869 1091663661 /nfs/dbraw/zinc/66/36/61/1091663661.db2.gz JBMJJUOZJAMVES-CHPDAQJUSA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3cccc(F)c3)C[C@@H]21 ZINC001085097753 1091668277 /nfs/dbraw/zinc/66/82/77/1091668277.db2.gz WKNGGNBJLMZABH-RKVPGOIHSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C ZINC001085122400 1091680226 /nfs/dbraw/zinc/68/02/26/1091680226.db2.gz BIGCJJAYIPUDOQ-HZPDHXFCSA-N 0 3 306.837 3.378 20 30 DGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139854161 1091693278 /nfs/dbraw/zinc/69/32/78/1091693278.db2.gz WYCADQFJKDDVFO-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139854161 1091693281 /nfs/dbraw/zinc/69/32/81/1091693281.db2.gz WYCADQFJKDDVFO-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139854161 1091693287 /nfs/dbraw/zinc/69/32/87/1091693287.db2.gz WYCADQFJKDDVFO-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139854161 1091693290 /nfs/dbraw/zinc/69/32/90/1091693290.db2.gz WYCADQFJKDDVFO-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C)o1 ZINC001085170711 1091696122 /nfs/dbraw/zinc/69/61/22/1091696122.db2.gz PLNIOUHDDWFBJB-ZIAGYGMSSA-N 0 3 310.825 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccoc1CC ZINC001085185894 1091699834 /nfs/dbraw/zinc/69/98/34/1091699834.db2.gz PZDYPBGGABIAKS-ZIAGYGMSSA-N 0 3 310.825 3.225 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202985101 1091719496 /nfs/dbraw/zinc/71/94/96/1091719496.db2.gz BEOIADWEYZEKCL-HUUCEWRRSA-N 0 3 319.474 3.016 20 30 DGEDHN O=C1C=C2CN(Cc3sc(Cl)nc3Cl)CCC2S1 ZINC001139956096 1091722734 /nfs/dbraw/zinc/72/27/34/1091722734.db2.gz KEDSOYWJBBOSCL-SSDOTTSWSA-N 0 3 321.254 3.224 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085270046 1091730967 /nfs/dbraw/zinc/73/09/67/1091730967.db2.gz HELPXCDPSZDBTC-KBUPBQIOSA-N 0 3 312.885 3.438 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1occ2c1CCC2 ZINC001085286651 1091735702 /nfs/dbraw/zinc/73/57/02/1091735702.db2.gz RYLGPSCXYNUMFZ-HUUCEWRRSA-N 0 3 322.836 3.151 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1OC ZINC001085401623 1091766393 /nfs/dbraw/zinc/76/63/93/1091766393.db2.gz XZPBTNFKPAKRTN-HUUCEWRRSA-N 0 3 322.836 3.078 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC)c1 ZINC001085403788 1091766882 /nfs/dbraw/zinc/76/68/82/1091766882.db2.gz CTNYAIZBWJFQDY-HZPDHXFCSA-N 0 3 322.836 3.078 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1C ZINC001085417934 1091772247 /nfs/dbraw/zinc/77/22/47/1091772247.db2.gz AATUPAKOQFBEKQ-IAGOWNOFSA-N 0 3 320.864 3.307 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001206913545 1091793171 /nfs/dbraw/zinc/79/31/71/1091793171.db2.gz OTBHUWSYHWUTOP-OXQOHEQNSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCOCCCC)C[C@H]1C ZINC001207107323 1091845358 /nfs/dbraw/zinc/84/53/58/1091845358.db2.gz GAHWQMDUODXQRU-SJLPKXTDSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085595098 1091845820 /nfs/dbraw/zinc/84/58/20/1091845820.db2.gz WSWRNRAHXSFGFC-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085595101 1091847130 /nfs/dbraw/zinc/84/71/30/1091847130.db2.gz WSWRNRAHXSFGFC-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN COc1cccc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)c1 ZINC001207111084 1091847337 /nfs/dbraw/zinc/84/73/37/1091847337.db2.gz ZCUFRBQNIPOXSJ-KRWDZBQOSA-N 0 3 309.413 3.285 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001207138823 1091858414 /nfs/dbraw/zinc/85/84/14/1091858414.db2.gz VNTBICJZGZPPJA-KZNAEPCWSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085642500 1091866001 /nfs/dbraw/zinc/86/60/01/1091866001.db2.gz NUOCMKCJPMQEPR-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001297373716 1091871029 /nfs/dbraw/zinc/87/10/29/1091871029.db2.gz ZXCNRLCAQXDURF-SFHVURJKSA-N 0 3 318.461 3.155 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C(C)C ZINC001085653046 1091871989 /nfs/dbraw/zinc/87/19/89/1091871989.db2.gz KXSFMAPYGTUKAR-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2cccc(C)c2)CCC1 ZINC001297380326 1091872110 /nfs/dbraw/zinc/87/21/10/1091872110.db2.gz WFMCKIIBDJOFLB-UHFFFAOYSA-N 0 3 314.473 3.383 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001085711034 1091896680 /nfs/dbraw/zinc/89/66/80/1091896680.db2.gz YFYQOKYRNSGHBE-OAHLLOKOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727728 1091900226 /nfs/dbraw/zinc/90/02/26/1091900226.db2.gz GFBUZSOSJWNUCQ-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001085751287 1091916168 /nfs/dbraw/zinc/91/61/68/1091916168.db2.gz BULJIJFOOJPRAN-CQSZACIVSA-N 0 3 317.458 3.342 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085779462 1091928342 /nfs/dbraw/zinc/92/83/42/1091928342.db2.gz WEFZJBKHFSCSGV-HNNXBMFYSA-N 0 3 303.450 3.251 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCC[C@H](C#N)CC1 ZINC001207376117 1091945207 /nfs/dbraw/zinc/94/52/07/1091945207.db2.gz UBFVMAIDVUFNTC-LSDHHAIUSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(CCC)cc2)C1=O ZINC001273363854 1091949150 /nfs/dbraw/zinc/94/91/50/1091949150.db2.gz QRFDGLLWILEIFP-FQEVSTJZSA-N 0 3 312.457 3.392 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001207468818 1091977969 /nfs/dbraw/zinc/97/79/69/1091977969.db2.gz FDJHCOZEWLRYNB-IIDMSEBBSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OCC)c(C)c1 ZINC001085850195 1091978948 /nfs/dbraw/zinc/97/89/48/1091978948.db2.gz QGZSHXGSPYNEQG-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001085853876 1091980293 /nfs/dbraw/zinc/98/02/93/1091980293.db2.gz JYBUVNGEFNKDLA-AWEZNQCLSA-N 0 3 322.474 3.178 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001207500730 1091992407 /nfs/dbraw/zinc/99/24/07/1091992407.db2.gz VTICGZPJHQXIAK-PKOBYXMFSA-N 0 3 319.420 3.194 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccn1C1CCCC1 ZINC001085895117 1092000761 /nfs/dbraw/zinc/00/07/61/1092000761.db2.gz URBHLUWCMXRYKY-QGZVFWFLSA-N 0 3 315.461 3.326 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001085921450 1092015189 /nfs/dbraw/zinc/01/51/89/1092015189.db2.gz CWEWBIJIYDEWAA-QGZVFWFLSA-N 0 3 323.440 3.404 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001085930993 1092020212 /nfs/dbraw/zinc/02/02/12/1092020212.db2.gz MCFCPCZDXXAQFG-GBESFXJTSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940726 1092031722 /nfs/dbraw/zinc/03/17/22/1092031722.db2.gz NUMRVMNMHDJAQT-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN N#Cc1ccccc1N1CCN(CCCc2cccc(F)c2)CC1 ZINC001207599304 1092035207 /nfs/dbraw/zinc/03/52/07/1092035207.db2.gz GNISIMQSUVYVGO-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1[nH]cc(C)c1C)C2 ZINC001140860675 1092035612 /nfs/dbraw/zinc/03/56/12/1092035612.db2.gz SIAWMKTUEHAHDA-LJQANCHMSA-N 0 3 315.461 3.165 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085951051 1092040393 /nfs/dbraw/zinc/04/03/93/1092040393.db2.gz UMVQYUGPYHBZGI-LBPRGKRZSA-N 0 3 312.360 3.330 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCc2ccsc2)C1 ZINC001207647925 1092058655 /nfs/dbraw/zinc/05/86/55/1092058655.db2.gz GHDZYQZENYTJFE-GDBMZVCRSA-N 0 3 306.475 3.083 20 30 DGEDHN Cc1nccnc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001140938110 1092070407 /nfs/dbraw/zinc/07/04/07/1092070407.db2.gz VFNBKOYFFAYHIS-UHFFFAOYSA-N 0 3 306.413 3.111 20 30 DGEDHN CC(C)(C)/C=C\C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207710182 1092075544 /nfs/dbraw/zinc/07/55/44/1092075544.db2.gz HLOGKLYEDHJKBB-FNDLEWIFSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCCCCCCCN1CCN(CC(=O)OC)CC1 ZINC001207899161 1092133034 /nfs/dbraw/zinc/13/30/34/1092133034.db2.gz OJHJNQLDUMNSIK-UHFFFAOYSA-N 0 3 310.482 3.084 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207914737 1092141331 /nfs/dbraw/zinc/14/13/31/1092141331.db2.gz NWEMTHKVMDMCBO-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)C1 ZINC001086156984 1092146179 /nfs/dbraw/zinc/14/61/79/1092146179.db2.gz ZFJHTFWURDBWOI-XBVQOTNRSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108246163 1092147714 /nfs/dbraw/zinc/14/77/14/1092147714.db2.gz FCKFSEAPPYWMRH-IBGZPJMESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001086208784 1092164742 /nfs/dbraw/zinc/16/47/42/1092164742.db2.gz ILODCFDAYKJDMF-QKPAOTATSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001086240144 1092175780 /nfs/dbraw/zinc/17/57/80/1092175780.db2.gz QURAVSLPEXJPPI-BVUBDWEXSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2sccc2CC)C1 ZINC001086278233 1092188505 /nfs/dbraw/zinc/18/85/05/1092188505.db2.gz NAEUPLSQQFHIHU-BJHJDKERSA-N 0 3 312.866 3.161 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(CCCC1CCCC1)CC2 ZINC001208088445 1092193372 /nfs/dbraw/zinc/19/33/72/1092193372.db2.gz GPWHPOWQTBJLKA-UHFFFAOYSA-N 0 3 317.477 3.451 20 30 DGEDHN CN1C[C@@H]2C[C@H]1CN2Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141295524 1092200272 /nfs/dbraw/zinc/20/02/72/1092200272.db2.gz DTWOVJXEMKFFDJ-ROUUACIJSA-N 0 3 319.408 3.239 20 30 DGEDHN CCCCCCC/C=C/CN1CCC(N2CCOCC2=O)CC1 ZINC001208122944 1092205834 /nfs/dbraw/zinc/20/58/34/1092205834.db2.gz CPBVLKMWTKZVKI-CMDGGOBGSA-N 0 3 322.493 3.226 20 30 DGEDHN N#CC[C@@H]1CCCN(Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001141413496 1092233355 /nfs/dbraw/zinc/23/33/55/1092233355.db2.gz WMSWTLOUWJLBIE-INIZCTEOSA-N 0 3 314.429 3.370 20 30 DGEDHN N#CC[C@H]1CCCN(Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001141413497 1092233391 /nfs/dbraw/zinc/23/33/91/1092233391.db2.gz WMSWTLOUWJLBIE-MRXNPFEDSA-N 0 3 314.429 3.370 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001086411205 1092240915 /nfs/dbraw/zinc/24/09/15/1092240915.db2.gz UWPVZQHXJNGSTI-VGWMRTNUSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@H](Oc3ncc(F)cn3)C2)CC1 ZINC001208179179 1092243160 /nfs/dbraw/zinc/24/31/60/1092243160.db2.gz 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ZINC001208309160 1092306572 /nfs/dbraw/zinc/30/65/72/1092306572.db2.gz CPUQRQXOGDJDRK-CRAIPNDOSA-N 0 3 314.473 3.398 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001086519739 1092313470 /nfs/dbraw/zinc/31/34/70/1092313470.db2.gz QURAVSLPEXJPPI-QCEMKRCNSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001491964883 1092328029 /nfs/dbraw/zinc/32/80/29/1092328029.db2.gz CUNXCVXSQDPBPJ-UYAOXDASSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320291 1092330195 /nfs/dbraw/zinc/33/01/95/1092330195.db2.gz AQPYNXBJHVUIBY-APWZRJJASA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001208389156 1092338999 /nfs/dbraw/zinc/33/89/99/1092338999.db2.gz ZNNHHAPXAPVZDG-JFIYKMOQSA-N 0 3 300.446 3.225 20 30 DGEDHN C[C@@]1(CO)CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141973092 1092371536 /nfs/dbraw/zinc/37/15/36/1092371536.db2.gz YHOGMPBBGALWCR-LJQANCHMSA-N 0 3 311.450 3.352 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001208497973 1092374194 /nfs/dbraw/zinc/37/41/94/1092374194.db2.gz IGWKPTSSKIZBIA-LMMKCTJWSA-N 0 3 324.509 3.088 20 30 DGEDHN C[C@@H]1C[C@H](O)CCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141978004 1092375343 /nfs/dbraw/zinc/37/53/43/1092375343.db2.gz WPQRFYBNISBSSF-NVXWUHKLSA-N 0 3 311.450 3.493 20 30 DGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)OC(C)(C)C ZINC001168820555 1092377395 /nfs/dbraw/zinc/37/73/95/1092377395.db2.gz CBZZJHUXUIJCFI-RYUDHWBXSA-N 0 3 321.446 3.107 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1cccs1 ZINC001492083309 1092399091 /nfs/dbraw/zinc/39/90/91/1092399091.db2.gz JYEOGNDDKSBGPV-RYUDHWBXSA-N 0 3 300.855 3.089 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001168864410 1092404497 /nfs/dbraw/zinc/40/44/97/1092404497.db2.gz DVJNPZQVPQVTQV-INIZCTEOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1CCC1CCCC1 ZINC001208695508 1092462470 /nfs/dbraw/zinc/46/24/70/1092462470.db2.gz VXMYHOVLRSCTMC-KRWDZBQOSA-N 0 3 303.450 3.102 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC001208743492 1092486691 /nfs/dbraw/zinc/48/66/91/1092486691.db2.gz VORFAVYRLCAQGM-MRXNPFEDSA-N 0 3 322.836 3.259 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(CCCc2ccc(F)cc2)C1 ZINC001208772082 1092499103 /nfs/dbraw/zinc/49/91/03/1092499103.db2.gz PGGBINAMCXMTTN-QGZVFWFLSA-N 0 3 320.408 3.135 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)CC(F)F)C(C)(C)C1 ZINC001276592767 1092532495 /nfs/dbraw/zinc/53/24/95/1092532495.db2.gz AOIGIYBOZSYLFQ-CYBMUJFWSA-N 0 3 316.436 3.461 20 30 DGEDHN CN(CCCc1cccc(C#N)c1)Cc1cccc2c1OCO2 ZINC001208860473 1092549019 /nfs/dbraw/zinc/54/90/19/1092549019.db2.gz MFOBQSCGNYLIMB-UHFFFAOYSA-N 0 3 308.381 3.352 20 30 DGEDHN N#Cc1ccnc(CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC001169187419 1092579382 /nfs/dbraw/zinc/57/93/82/1092579382.db2.gz GXVRXLIQABVEHZ-HXUWFJFHSA-N 0 3 320.440 3.270 20 30 DGEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CCC2CCC2)CC1 ZINC001169198361 1092582002 /nfs/dbraw/zinc/58/20/02/1092582002.db2.gz WPZLADFKCUWGQS-GOSISDBHSA-N 0 3 301.409 3.198 20 30 DGEDHN CCCc1noc(C2CCN(CCc3ccc(C#N)cc3)CC2)n1 ZINC001208927439 1092590319 /nfs/dbraw/zinc/59/03/19/1092590319.db2.gz INMGJMSTYHGKNU-UHFFFAOYSA-N 0 3 324.428 3.316 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001169248514 1092616368 /nfs/dbraw/zinc/61/63/68/1092616368.db2.gz VBRKMNXQHNFUDU-JKSUJKDBSA-N 0 3 315.461 3.369 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209029463 1092630102 /nfs/dbraw/zinc/63/01/02/1092630102.db2.gz HSXJPUCBSRIKLK-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN COCCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001209054494 1092636970 /nfs/dbraw/zinc/63/69/70/1092636970.db2.gz CQPOMVFXDNFWSL-UHFFFAOYSA-N 0 3 319.408 3.469 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001209110904 1092656918 /nfs/dbraw/zinc/65/69/18/1092656918.db2.gz HWNQKPJBVVCZEU-KRWDZBQOSA-N 0 3 316.420 3.100 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H](C)C2CCCCC2)C(C)(C)C1 ZINC001276616365 1092657864 /nfs/dbraw/zinc/65/78/64/1092657864.db2.gz VZMWPTGSYPXADF-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C(C)(C)C1 ZINC001276616364 1092658139 /nfs/dbraw/zinc/65/81/39/1092658139.db2.gz VZMWPTGSYPXADF-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C[C@@](C#N)(Nc1ccc2c(n1)CNCC2)c1ccccc1Cl ZINC001169380132 1092663358 /nfs/dbraw/zinc/66/33/58/1092663358.db2.gz VWDVEUXURFOBET-KRWDZBQOSA-N 0 3 312.804 3.232 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001209146073 1092670608 /nfs/dbraw/zinc/67/06/08/1092670608.db2.gz KIBHZNDQWPLDSX-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCCN1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC001209203253 1092693182 /nfs/dbraw/zinc/69/31/82/1092693182.db2.gz VQVPIAYNFGKHEO-UHFFFAOYSA-N 0 3 318.461 3.178 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001276625470 1092704944 /nfs/dbraw/zinc/70/49/44/1092704944.db2.gz YSCINDCRBAHVQM-SJLPKXTDSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001209335970 1092738423 /nfs/dbraw/zinc/73/84/23/1092738423.db2.gz UHABLLDHIAXENM-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001150364715 1092773427 /nfs/dbraw/zinc/77/34/27/1092773427.db2.gz UAVPXADZKVICRE-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCCCCCCN1CCN(c2cc(C)ncn2)CC1 ZINC001209440687 1092774600 /nfs/dbraw/zinc/77/46/00/1092774600.db2.gz AYAVNIHEQCBMKJ-UHFFFAOYSA-N 0 3 302.466 3.434 20 30 DGEDHN C=CCCCCCCCCN1CCN(CC(=O)OCC)CC1 ZINC001209443585 1092776376 /nfs/dbraw/zinc/77/63/76/1092776376.db2.gz WCWXZDRDUIPFIC-UHFFFAOYSA-N 0 3 310.482 3.084 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209453847 1092781230 /nfs/dbraw/zinc/78/12/30/1092781230.db2.gz DVSMIEDARPVVJM-CTNGQTDRSA-N 0 3 324.468 3.221 20 30 DGEDHN CC[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001209459059 1092783253 /nfs/dbraw/zinc/78/32/53/1092783253.db2.gz TTYZJHQECIIJPX-MRXNPFEDSA-N 0 3 317.433 3.293 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001150579525 1092796808 /nfs/dbraw/zinc/79/68/08/1092796808.db2.gz NFYARCFCFCQHLJ-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C[C@@H](C)C(C)C)CC1 ZINC001151007420 1092852132 /nfs/dbraw/zinc/85/21/32/1092852132.db2.gz MDFCSNFSDSVVKH-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001151368215 1092890799 /nfs/dbraw/zinc/89/07/99/1092890799.db2.gz XCTYWMVAFCNMGU-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001151402172 1092893412 /nfs/dbraw/zinc/89/34/12/1092893412.db2.gz AJKDYHQGRRUYQC-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001209864999 1092955579 /nfs/dbraw/zinc/95/55/79/1092955579.db2.gz AEXRLDXKXDOPLV-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN Cc1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)cnc1C#N ZINC001210207158 1093078615 /nfs/dbraw/zinc/07/86/15/1093078615.db2.gz GEEVOFHVHVNRGO-KRWDZBQOSA-N 0 3 308.385 3.391 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001210307330 1093119981 /nfs/dbraw/zinc/11/99/81/1093119981.db2.gz KVFMMUYNAKUSNH-GVDBMIGSSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001211217770 1093424927 /nfs/dbraw/zinc/42/49/27/1093424927.db2.gz HHIVEDOTPKKDAK-FGTMMUONSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001211224155 1093427345 /nfs/dbraw/zinc/42/73/45/1093427345.db2.gz LWEIBWWKDDFRKP-HZPDHXFCSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001211267198 1093439116 /nfs/dbraw/zinc/43/91/16/1093439116.db2.gz AMDHJCVYSIZLBH-QGZVFWFLSA-N 0 3 315.461 3.087 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)CCCCC1 ZINC001211347473 1093467606 /nfs/dbraw/zinc/46/76/06/1093467606.db2.gz VKRBKIKCZJZPOT-IAGOWNOFSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001211395284 1093480223 /nfs/dbraw/zinc/48/02/23/1093480223.db2.gz NQMUCRDGYWVDHP-ZHALLVOQSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(N(C)C)cc2)no1 ZINC001211436716 1093494308 /nfs/dbraw/zinc/49/43/08/1093494308.db2.gz UKWJAAQJRQEPMN-UHFFFAOYSA-N 0 3 312.417 3.302 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001211484661 1093505858 /nfs/dbraw/zinc/50/58/58/1093505858.db2.gz JXEKZUCWTQNJIX-JJRVBVJISA-N 0 3 320.864 3.141 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213380193 1093576719 /nfs/dbraw/zinc/57/67/19/1093576719.db2.gz MKBAZFAGEZGGCB-ZHALLVOQSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](CC)CCCCC)[C@H](OC)C1 ZINC001213899737 1093677717 /nfs/dbraw/zinc/67/77/17/1093677717.db2.gz JCYGUTYTRWOOGJ-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001214529418 1093791887 /nfs/dbraw/zinc/79/18/87/1093791887.db2.gz YEAUUIBUVRNULI-TZMCWYRMSA-N 0 3 324.877 3.142 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001214743716 1093845906 /nfs/dbraw/zinc/84/59/06/1093845906.db2.gz KMUFKIMJQAFGRO-CRAIPNDOSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)/C(C)=C\CC)[C@H]2C1 ZINC001217441638 1094412132 /nfs/dbraw/zinc/41/21/32/1094412132.db2.gz FGUWILRIRUAOKB-ARLDCUANSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120380860 1094417867 /nfs/dbraw/zinc/41/78/67/1094417867.db2.gz AJPCJNKHAIYEON-ROUUACIJSA-N 0 3 322.468 3.427 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@H]2CCCN2CCF)C1 ZINC001120380859 1094418454 /nfs/dbraw/zinc/41/84/54/1094418454.db2.gz AJPCJNKHAIYEON-QZTJIDSGSA-N 0 3 322.468 3.427 20 30 DGEDHN C=CC1(CC(=O)NCCNCc2cncc(C)c2)CCCCC1 ZINC001135191139 1094426528 /nfs/dbraw/zinc/42/65/28/1094426528.db2.gz WCQOKGBZYXIDRA-UHFFFAOYSA-N 0 3 315.461 3.122 20 30 DGEDHN C=CC1(CC(=O)NCCNCc2cccnc2C)CCCCC1 ZINC001135190690 1094426551 /nfs/dbraw/zinc/42/65/51/1094426551.db2.gz KBZOTJLLTSXSSK-UHFFFAOYSA-N 0 3 315.461 3.122 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135181931 1094432180 /nfs/dbraw/zinc/43/21/80/1094432180.db2.gz WKPOURNVVNJBLN-QWHCGFSZSA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135181782 1094432362 /nfs/dbraw/zinc/43/23/62/1094432362.db2.gz VFRTYVHDMALXOR-CHWSQXEVSA-N 0 3 321.465 3.267 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001135236456 1094454431 /nfs/dbraw/zinc/45/44/31/1094454431.db2.gz SLEFKPMSJRYJJU-HPPFBBELSA-N 0 3 307.265 3.391 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001135236460 1094454483 /nfs/dbraw/zinc/45/44/83/1094454483.db2.gz SLEFKPMSJRYJJU-XGFGGAMFSA-N 0 3 307.265 3.391 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001135236608 1094454698 /nfs/dbraw/zinc/45/46/98/1094454698.db2.gz UTNYTVHVAHBVLS-LSDHHAIUSA-N 0 3 320.481 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001135229437 1094459400 /nfs/dbraw/zinc/45/94/00/1094459400.db2.gz AKPUEHORZWFMRY-NEPJUHHUSA-N 0 3 323.506 3.345 20 30 DGEDHN CC(C)=CC(=O)NC1CC2(CC(NCc3ccccc3C#N)C2)C1 ZINC001120577092 1094460903 /nfs/dbraw/zinc/46/09/03/1094460903.db2.gz WNNCISLEYYWYAB-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135358024 1094501918 /nfs/dbraw/zinc/50/19/18/1094501918.db2.gz LESNWIWIXRKGGE-HZPDHXFCSA-N 0 3 313.445 3.287 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OC1(Cl)c2ccccc2-c2ccccc21 ZINC001217831704 1094502294 /nfs/dbraw/zinc/50/22/94/1094502294.db2.gz KVUZOJYRGLLXLI-PXAZEXFGSA-N 0 3 310.784 3.235 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OCc1ccc(/C=C/c2ccccc2)cc1 ZINC001217832273 1094502687 /nfs/dbraw/zinc/50/26/87/1094502687.db2.gz NNFZTIYVAOJRCO-RLWBPELLSA-N 0 3 304.393 3.485 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2cc(C)no2)CC1 ZINC001135381835 1094510503 /nfs/dbraw/zinc/51/05/03/1094510503.db2.gz BDVZLALIRCXFNJ-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2ocnc2C)CCC1 ZINC001135396017 1094515114 /nfs/dbraw/zinc/51/51/14/1094515114.db2.gz VERYTZYNQBCUCW-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2nc(C)cs2)C1 ZINC001135418031 1094529786 /nfs/dbraw/zinc/52/97/86/1094529786.db2.gz BKFYWCJXHACVPJ-QWHCGFSZSA-N 0 3 321.490 3.181 20 30 DGEDHN CC(C)CCCCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001135500876 1094556879 /nfs/dbraw/zinc/55/68/79/1094556879.db2.gz BAUDQPHZGCMEGN-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN Fc1ccc(C#Cc2ccc(O[C@@H]3CCNC[C@H]3F)cc2)cc1 ZINC001218064479 1094582052 /nfs/dbraw/zinc/58/20/52/1094582052.db2.gz LKBCWDJYJKNEJG-RTBURBONSA-N 0 3 313.347 3.304 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C)CC=CC2)C1 ZINC001103399467 1094609135 /nfs/dbraw/zinc/60/91/35/1094609135.db2.gz VCOFTLPWSAMMCD-UKRRQHHQSA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2occc2CC)C1 ZINC001103405303 1094613521 /nfs/dbraw/zinc/61/35/21/1094613521.db2.gz AYLVAODRMBQTEL-IUODEOHRSA-N 0 3 324.852 3.282 20 30 DGEDHN CCCCCCCOc1ccc(OC[C@H]2CNCCO2)cc1 ZINC001218179587 1094643796 /nfs/dbraw/zinc/64/37/96/1094643796.db2.gz ZCCZYKMUUAFCGA-GOSISDBHSA-N 0 3 307.434 3.403 20 30 DGEDHN C=C1CC[NH2+]C[C@@H]1Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001218207884 1094660394 /nfs/dbraw/zinc/66/03/94/1094660394.db2.gz LPEXOJUMOBXGEI-IBGZPJMESA-N 0 3 323.392 3.229 20 30 DGEDHN C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccnc3c4c(nn32)CCNC4)C1 ZINC001218213404 1094663759 /nfs/dbraw/zinc/66/37/59/1094663759.db2.gz FPUXVTFBKXNBQS-YOEHRIQHSA-N 0 3 324.428 3.055 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(C)(C)C(=C)C)C2 ZINC001121522995 1094703591 /nfs/dbraw/zinc/70/35/91/1094703591.db2.gz WHTPORQUMNIBMM-UHFFFAOYSA-N 0 3 310.869 3.358 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)c(C)cc1Cl ZINC001218322057 1094715926 /nfs/dbraw/zinc/71/59/26/1094715926.db2.gz HNJPPMBGEZZKHG-UHFFFAOYSA-N 0 3 307.825 3.033 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121611821 1094726830 /nfs/dbraw/zinc/72/68/30/1094726830.db2.gz ZYTFMDZKLFWGAI-YULYLDDOSA-N 0 3 310.869 3.214 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC001121848194 1094794033 /nfs/dbraw/zinc/79/40/33/1094794033.db2.gz IDEYOTHUFOBUHY-JKSUJKDBSA-N 0 3 320.481 3.194 20 30 DGEDHN C=CCOC(=O)c1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218491529 1094819521 /nfs/dbraw/zinc/81/95/21/1094819521.db2.gz VCOFPUXCNNLNBT-GOSISDBHSA-N 0 3 309.365 3.253 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1SC(=O)N(C)C ZINC001121948053 1094838001 /nfs/dbraw/zinc/83/80/01/1094838001.db2.gz MJDHWZUJUBODBW-GFCCVEGCSA-N 0 3 321.446 3.082 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC001121947599 1094839781 /nfs/dbraw/zinc/83/97/81/1094839781.db2.gz POMMPRKASDKHSO-RYUDHWBXSA-N 0 3 303.431 3.157 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(Cl)nc1OC ZINC001218674065 1094849235 /nfs/dbraw/zinc/84/92/35/1094849235.db2.gz PBTUTWRMJVNRAE-NSHDSACASA-N 0 3 311.813 3.146 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001337105539 1094853917 /nfs/dbraw/zinc/85/39/17/1094853917.db2.gz MNKDXAFOIKVCPB-LBPRGKRZSA-N 0 3 321.635 3.122 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC001218812412 1094874581 /nfs/dbraw/zinc/87/45/81/1094874581.db2.gz SISSLPYTHQGVEH-KRWDZBQOSA-N 0 3 312.417 3.275 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)(C)CC)C[C@H](C)O2 ZINC001111545806 1094917524 /nfs/dbraw/zinc/91/75/24/1094917524.db2.gz PQWWPTJMEGRDGC-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC001122218737 1094928166 /nfs/dbraw/zinc/92/81/66/1094928166.db2.gz WAXWUSWNEBGWND-DLBZAZTESA-N 0 3 318.486 3.377 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC001136199576 1094942421 /nfs/dbraw/zinc/94/24/21/1094942421.db2.gz DLCOLDKZTLMJBV-GOSISDBHSA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC001122313409 1094950403 /nfs/dbraw/zinc/95/04/03/1094950403.db2.gz VHWURKPQOSDALH-IGXNXKSNSA-N 0 3 304.821 3.161 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001337408410 1094964576 /nfs/dbraw/zinc/96/45/76/1094964576.db2.gz DFIYAJDPELIWFH-INIZCTEOSA-N 0 3 303.381 3.065 20 30 DGEDHN Cc1cc(C)cc(C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)c1 ZINC001122417268 1094971179 /nfs/dbraw/zinc/97/11/79/1094971179.db2.gz BQCHYJLHIDWQRY-SFHVURJKSA-N 0 3 313.445 3.031 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CC2(C)CCCC2)[C@@H](O)C1 ZINC001219566290 1094987774 /nfs/dbraw/zinc/98/77/74/1094987774.db2.gz UOIRSJTZSNGBQU-SJORKVTESA-N 0 3 324.509 3.089 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001111882490 1094997587 /nfs/dbraw/zinc/99/75/87/1094997587.db2.gz PMJYBNZNARWFBW-GJYPPUQNSA-N 0 3 304.478 3.053 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccc(C2CC2)cc1 ZINC001122606473 1095016638 /nfs/dbraw/zinc/01/66/38/1095016638.db2.gz MWICNNKQJKOINF-KRWDZBQOSA-N 0 3 307.397 3.497 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](CCOC)c2ccccc21 ZINC001122601383 1095017127 /nfs/dbraw/zinc/01/71/27/1095017127.db2.gz CGVGMCUFTAIUKP-UKRRQHHQSA-N 0 3 322.836 3.013 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@H](C)CCC ZINC001122631309 1095021053 /nfs/dbraw/zinc/02/10/53/1095021053.db2.gz PVRNBIJKKJWQPA-CVEARBPZSA-N 0 3 319.497 3.288 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112172374 1095038441 /nfs/dbraw/zinc/03/84/41/1095038441.db2.gz AOLGFBIQQABRCY-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CCC)C(C)C)C[C@H]1C(F)(F)F ZINC001112173685 1095039030 /nfs/dbraw/zinc/03/90/30/1095039030.db2.gz KPLYMGIXMMWESJ-BFHYXJOUSA-N 0 3 320.399 3.224 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1C(F)(F)F ZINC001112186139 1095040371 /nfs/dbraw/zinc/04/03/71/1095040371.db2.gz VAHYHKLEJZQIJV-BFHYXJOUSA-N 0 3 320.399 3.224 20 30 DGEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1cccc(F)n1 ZINC001122713885 1095042624 /nfs/dbraw/zinc/04/26/24/1095042624.db2.gz FRZKTRSBQSSKRJ-LLVKDONJSA-N 0 3 309.300 3.171 20 30 DGEDHN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1cccc(F)n1 ZINC001122735600 1095052508 /nfs/dbraw/zinc/05/25/08/1095052508.db2.gz MYJDGDSXLJAKFI-CQSZACIVSA-N 0 3 312.348 3.097 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCc1ccc(C)c(F)c1F ZINC001220209805 1095066196 /nfs/dbraw/zinc/06/61/96/1095066196.db2.gz FVECDGUVDCGEQI-AWEZNQCLSA-N 0 3 310.388 3.353 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001171042935 1095180046 /nfs/dbraw/zinc/18/00/46/1095180046.db2.gz HYVBDBZXTJZIMA-CQSZACIVSA-N 0 3 307.438 3.104 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1ccn(CC)n1 ZINC001171042722 1095180508 /nfs/dbraw/zinc/18/05/08/1095180508.db2.gz FOIWQLXPNITVHI-INIZCTEOSA-N 0 3 320.481 3.024 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cncc2ccccc21 ZINC001123234608 1095197215 /nfs/dbraw/zinc/19/72/15/1095197215.db2.gz YIHNUAHBFHXBSK-QGZVFWFLSA-N 0 3 318.380 3.260 20 30 DGEDHN O=C(CC1CC1)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115378145 1095197887 /nfs/dbraw/zinc/19/78/87/1095197887.db2.gz WRIQNIWFOZJTIK-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)n2C)CCCCC1 ZINC001115405743 1095207127 /nfs/dbraw/zinc/20/71/27/1095207127.db2.gz FGDCTMVICIQYMR-UHFFFAOYSA-N 0 3 323.868 3.108 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccns2)CCCCC1 ZINC001115442587 1095221498 /nfs/dbraw/zinc/22/14/98/1095221498.db2.gz GANPUPXBTFYONW-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C#CC1(NC(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)CCCCC1 ZINC001221275554 1095227396 /nfs/dbraw/zinc/22/73/96/1095227396.db2.gz DWYMQEOFXVJUFE-ROUUACIJSA-N 0 3 310.441 3.322 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(C)s1 ZINC001123337893 1095245569 /nfs/dbraw/zinc/24/55/69/1095245569.db2.gz NVAKZWDDUAVHOE-AWEZNQCLSA-N 0 3 301.415 3.472 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3cccc(CC)c3)C[C@H]21 ZINC001221424381 1095261702 /nfs/dbraw/zinc/26/17/02/1095261702.db2.gz CUEDCYRDXIYHRI-RTBURBONSA-N 0 3 312.457 3.248 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001221429310 1095263914 /nfs/dbraw/zinc/26/39/14/1095263914.db2.gz RNQALYIMDGNOGX-IEBWSBKVSA-N 0 3 323.440 3.167 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3C)C[C@H]21 ZINC001221429015 1095264702 /nfs/dbraw/zinc/26/47/02/1095264702.db2.gz DJBTVTYPIBMWBR-RTBURBONSA-N 0 3 312.457 3.302 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001221582682 1095306419 /nfs/dbraw/zinc/30/64/19/1095306419.db2.gz XEHJWJIRNYOQHW-RTBURBONSA-N 0 3 312.457 3.384 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221585181 1095307758 /nfs/dbraw/zinc/30/77/58/1095307758.db2.gz XGUBQHLQOWJLAT-NVXWUHKLSA-N 0 3 318.486 3.180 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](F)C(C)C)CCCCC1 ZINC001115678584 1095329025 /nfs/dbraw/zinc/32/90/25/1095329025.db2.gz MFENLMBBGFKQFC-CYBMUJFWSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221759124 1095347671 /nfs/dbraw/zinc/34/76/71/1095347671.db2.gz OMECPZOBHRQZTM-QXAKKESOSA-N 0 3 312.457 3.322 20 30 DGEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)CC1 ZINC001221795192 1095358251 /nfs/dbraw/zinc/35/82/51/1095358251.db2.gz NXYXJLGNUPUFME-IAGOWNOFSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001221952712 1095396166 /nfs/dbraw/zinc/39/61/66/1095396166.db2.gz MATVTGQLMBXVHJ-MGPQQGTHSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@H](F)CCCCCC)[C@@H]2C1 ZINC001221950139 1095397551 /nfs/dbraw/zinc/39/75/51/1095397551.db2.gz VLJFGXQWWGFILD-BRWVUGGUSA-N 0 3 310.457 3.404 20 30 DGEDHN CCCCCCCCCC(=O)N1C[C@H]2CCN(CCOC)C[C@H]21 ZINC001221975108 1095402018 /nfs/dbraw/zinc/40/20/18/1095402018.db2.gz SZKRJMMFZADDFT-QZTJIDSGSA-N 0 3 324.509 3.306 20 30 DGEDHN COc1ccc(CCNN=Cc2ccc(N3CCCC3)cc2)cc1 ZINC001116108491 1095458820 /nfs/dbraw/zinc/45/88/20/1095458820.db2.gz NBOVEQJMZMJDAT-UHFFFAOYSA-N 0 3 323.440 3.462 20 30 DGEDHN O=C1C=C2CN(Cc3cc(Cl)c(F)cc3F)CCC2S1 ZINC001144125021 1095524441 /nfs/dbraw/zinc/52/44/41/1095524441.db2.gz ATIZCHFUAPTDBA-ZDUSSCGKSA-N 0 3 315.772 3.392 20 30 DGEDHN C#CCN(CCc1nc(-c2cccc(Cl)c2)no1)CC1CC1 ZINC001116369950 1095530629 /nfs/dbraw/zinc/53/06/29/1095530629.db2.gz XSKIQFLLDPHKJB-UHFFFAOYSA-N 0 3 315.804 3.278 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC001116576178 1095607192 /nfs/dbraw/zinc/60/71/92/1095607192.db2.gz QCVZRUCTWUHTOX-CYBMUJFWSA-N 0 3 313.344 3.074 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2sc(C)cc2C)C1 ZINC001091050353 1095607645 /nfs/dbraw/zinc/60/76/45/1095607645.db2.gz YFGXJDOGCFOZAK-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cscc2Cl)C1 ZINC001091085876 1095649778 /nfs/dbraw/zinc/64/97/78/1095649778.db2.gz IPOWRJVFADITGZ-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C[S@@](=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC001116819817 1095669030 /nfs/dbraw/zinc/66/90/30/1095669030.db2.gz KICGTUZBYHEYQS-PGRDOPGGSA-N 0 3 310.422 3.073 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)Cc1ccccc1C ZINC001171187971 1095675362 /nfs/dbraw/zinc/67/53/62/1095675362.db2.gz RMNWNPYYTYPUOQ-MRXNPFEDSA-N 0 3 322.880 3.412 20 30 DGEDHN C#Cc1ccc(CN2CC(c3ccc(C(=O)OC)cc3)C2)cc1 ZINC001144578428 1095715392 /nfs/dbraw/zinc/71/53/92/1095715392.db2.gz CCNFNHOGWKZLOC-UHFFFAOYSA-N 0 3 305.377 3.054 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3cccc(C)n3)CC2)cc1 ZINC001144580501 1095716624 /nfs/dbraw/zinc/71/66/24/1095716624.db2.gz FAUFYDDCCXHBTR-UHFFFAOYSA-N 0 3 306.409 3.415 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001091171786 1095735058 /nfs/dbraw/zinc/73/50/58/1095735058.db2.gz IPSXBTQNORBNPH-UHFFFAOYSA-N 0 3 323.849 3.080 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2cc3c(cc2C1)OCO3 ZINC001171209993 1095771495 /nfs/dbraw/zinc/77/14/95/1095771495.db2.gz OTUCMMIBZCHKGV-AWEZNQCLSA-N 0 3 320.392 3.276 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2cc(C#N)ccc2C1 ZINC001171210263 1095772892 /nfs/dbraw/zinc/77/28/92/1095772892.db2.gz REGMNAJGEKNARD-HNNXBMFYSA-N 0 3 301.393 3.419 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2occc2C(C)C)C1 ZINC001091201610 1095800663 /nfs/dbraw/zinc/80/06/63/1095800663.db2.gz ZWCUDKBZLFEEPY-UHFFFAOYSA-N 0 3 310.825 3.254 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C)[C@H](c2ccccc2)C1 ZINC001171221203 1095814283 /nfs/dbraw/zinc/81/42/83/1095814283.db2.gz IVIZCKDJSQFMGG-UTKZUKDTSA-N 0 3 319.452 3.478 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001276860720 1095849910 /nfs/dbraw/zinc/84/99/10/1095849910.db2.gz LAVTZRJEUPLPMA-GOSISDBHSA-N 0 3 300.446 3.222 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(c2cccc(F)c2)CC1 ZINC001171231428 1095864362 /nfs/dbraw/zinc/86/43/62/1095864362.db2.gz JUQVAKYRJWDPHG-INIZCTEOSA-N 0 3 323.415 3.451 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001091378791 1095923818 /nfs/dbraw/zinc/92/38/18/1095923818.db2.gz SRMFIVJYMLAUGN-QIWHZVNUSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001223311653 1095933780 /nfs/dbraw/zinc/93/37/80/1095933780.db2.gz MXLGSVIGJPPETE-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN N#Cc1ccnc(CO[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001223359929 1095949699 /nfs/dbraw/zinc/94/96/99/1095949699.db2.gz COJHKQDPRFTKRF-IBGZPJMESA-N 0 3 307.397 3.134 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)CCC=C(C)C)C[C@@H]21 ZINC001223549496 1095996806 /nfs/dbraw/zinc/99/68/06/1095996806.db2.gz MNMHJECDTTWZKF-QRVBRYPASA-N 0 3 316.489 3.315 20 30 DGEDHN Cc1c[nH]c(Nc2cc(C)c(C#N)c3nc4ccccc4n32)n1 ZINC001340713102 1096012720 /nfs/dbraw/zinc/01/27/20/1096012720.db2.gz HEDDKESGAJRCBF-UHFFFAOYSA-N 0 3 302.341 3.443 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC001340715833 1096015518 /nfs/dbraw/zinc/01/55/18/1096015518.db2.gz DRWRTBZNCHNONP-JQFCIGGWSA-N 0 3 304.409 3.419 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001276908018 1096023072 /nfs/dbraw/zinc/02/30/72/1096023072.db2.gz AOVXLSAOVKEHDR-YPMHNXCESA-N 0 3 312.360 3.376 20 30 DGEDHN C#CCN1CCC(CNC(=O)CC2CC(c3ccccc3)C2)CC1 ZINC001223687852 1096036680 /nfs/dbraw/zinc/03/66/80/1096036680.db2.gz UWQTZDJIKFORMU-UHFFFAOYSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccsc1C(F)(F)F ZINC001340876688 1096056827 /nfs/dbraw/zinc/05/68/27/1096056827.db2.gz PDHZWSPSLJFKCJ-SNVBAGLBSA-N 0 3 306.353 3.067 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC001341167924 1096128310 /nfs/dbraw/zinc/12/83/10/1096128310.db2.gz VFVKJOCBDUZCBE-MRXNPFEDSA-N 0 3 322.399 3.354 20 30 DGEDHN CC#CCCCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001224148307 1096145247 /nfs/dbraw/zinc/14/52/47/1096145247.db2.gz JOMCHCRFJBAMRD-UHFFFAOYSA-N 0 3 318.486 3.270 20 30 DGEDHN N#Cc1cccc(N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)c1 ZINC001276953086 1096153933 /nfs/dbraw/zinc/15/39/33/1096153933.db2.gz FKKOLRMCDUYLNF-HXUWFJFHSA-N 0 3 320.440 3.379 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(Cc2cccnc2C)CC1 ZINC001224272700 1096177602 /nfs/dbraw/zinc/17/76/02/1096177602.db2.gz FZRWMQZCQIJCET-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCCCCO[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001224336495 1096192798 /nfs/dbraw/zinc/19/27/98/1096192798.db2.gz FCGQBXAXFIZJTD-HOTGVXAUSA-N 0 3 324.465 3.053 20 30 DGEDHN CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC001224371506 1096196346 /nfs/dbraw/zinc/19/63/46/1096196346.db2.gz BDYFWJINKKXTHP-IAGOWNOFSA-N 0 3 318.848 3.119 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCN1CCC1CC1)c1ccccc1 ZINC001276976247 1096226737 /nfs/dbraw/zinc/22/67/37/1096226737.db2.gz AACNBSKENFFLRL-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCC[C@H](C)CCC)C2)C1 ZINC001147636623 1096249125 /nfs/dbraw/zinc/24/91/25/1096249125.db2.gz KQTCPSKDOSMTLW-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)COCCCCCCCC)C2)C1 ZINC001147736821 1096264931 /nfs/dbraw/zinc/26/49/31/1096264931.db2.gz LFTQIMCBVBDDEU-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CC)CC2CCCCC2)CC1 ZINC001224739109 1096276784 /nfs/dbraw/zinc/27/67/84/1096276784.db2.gz JCFPIQCUSATMPX-LJQANCHMSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001224825174 1096294008 /nfs/dbraw/zinc/29/40/08/1096294008.db2.gz HXPIDOUHCIMOHG-HOTGVXAUSA-N 0 3 306.494 3.156 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001224837080 1096298047 /nfs/dbraw/zinc/29/80/47/1096298047.db2.gz YGJMAPFNRYVRTQ-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCN[C@H](C(C)C)C1)c1ccccc1 ZINC001148127626 1096317755 /nfs/dbraw/zinc/31/77/55/1096317755.db2.gz BVGRMIAPXQQRQN-ROUUACIJSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC[C@H](C)c3ccccc3)C2)C1 ZINC001148391998 1096358294 /nfs/dbraw/zinc/35/82/94/1096358294.db2.gz ZQPHZAZSBXKMLL-KRWDZBQOSA-N 0 3 312.457 3.291 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)CCCCC)C2)C1 ZINC001148391673 1096358675 /nfs/dbraw/zinc/35/86/75/1096358675.db2.gz VAVKNQJVWVNGSQ-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1Cl ZINC001225394978 1096418236 /nfs/dbraw/zinc/41/82/36/1096418236.db2.gz GZZNSSFLFOQMJQ-DAXOMENPSA-N 0 3 319.836 3.017 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCCc3sccc3C)C2)C1 ZINC001148678595 1096419229 /nfs/dbraw/zinc/41/92/29/1096419229.db2.gz GGQACGSBUNONIR-UHFFFAOYSA-N 0 3 318.486 3.100 20 30 DGEDHN Cc1cc(C#N)c(O[C@H]2CCN(Cc3ccccc3)C2)nc1C ZINC001225529092 1096459431 /nfs/dbraw/zinc/45/94/31/1096459431.db2.gz KRWDHWCTMIYFLH-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)(C)C3CC3)C2)CC1 ZINC001086921560 1096508992 /nfs/dbraw/zinc/50/89/92/1096508992.db2.gz TVWKEVAEYGTJSX-INIZCTEOSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[C@H](C)CC3)C2)CC1 ZINC001086954306 1096521749 /nfs/dbraw/zinc/52/17/49/1096521749.db2.gz IGZFLVYRVZVSNM-KZNAEPCWSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(C)ccc3C)C2)CC1 ZINC001086954255 1096522038 /nfs/dbraw/zinc/52/20/38/1096522038.db2.gz GOCIRIWCKGFUSJ-GOSISDBHSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C)c(C)c3)C2)CC1 ZINC001086955187 1096523214 /nfs/dbraw/zinc/52/32/14/1096523214.db2.gz GMCWFPZQRKFKID-GOSISDBHSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCC3CCCCC3)C[C@]2(C)C1 ZINC001092246619 1096596751 /nfs/dbraw/zinc/59/67/51/1096596751.db2.gz UBBSOOXKFOMZEO-QUCCMNQESA-N 0 3 316.489 3.151 20 30 DGEDHN C[Si](C)(C)C#CNCc1ccccc1OC1CCOCC1 ZINC001171383869 1096627049 /nfs/dbraw/zinc/62/70/49/1096627049.db2.gz OKTGSSXDZODAEU-UHFFFAOYSA-N 0 3 303.478 3.172 20 30 DGEDHN N#Cc1ccc(C2CC2)nc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001226277224 1096651858 /nfs/dbraw/zinc/65/18/58/1096651858.db2.gz RWSCBQXXIQOYPD-SFHVURJKSA-N 0 3 319.408 3.484 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC001226518857 1096711510 /nfs/dbraw/zinc/71/15/10/1096711510.db2.gz NFJGESOVYGATNJ-SFHVURJKSA-N 0 3 316.420 3.360 20 30 DGEDHN CC(C)=C(C)CC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001277142425 1096736755 /nfs/dbraw/zinc/73/67/55/1096736755.db2.gz YYTIHUHELNTTLZ-UHFFFAOYSA-N 0 3 311.429 3.043 20 30 DGEDHN C=CCCCCCCCN1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001277169924 1096830829 /nfs/dbraw/zinc/83/08/29/1096830829.db2.gz JIGYLWSVNMCMPA-QGZVFWFLSA-N 0 3 302.462 3.233 20 30 DGEDHN C#CCCCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001227076140 1096862513 /nfs/dbraw/zinc/86/25/13/1096862513.db2.gz FUHAZVQUOVUZPP-FLIBITNWSA-N 0 3 310.441 3.084 20 30 DGEDHN CC(C)C#CC(=O)NC1CCN(Cc2cc3ccccc3o2)CC1 ZINC001227233248 1096901251 /nfs/dbraw/zinc/90/12/51/1096901251.db2.gz QVMSODJHQJWCDI-UHFFFAOYSA-N 0 3 324.424 3.173 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCCCC(C)(C)C)CC1 ZINC001227512681 1096942360 /nfs/dbraw/zinc/94/23/60/1096942360.db2.gz CUSRKAQPKAGREU-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN C[C@H]1C[C@H](NCc2ccccc2C#N)CN1Cc1ccccc1 ZINC001171724812 1096954256 /nfs/dbraw/zinc/95/42/56/1096954256.db2.gz BOJZIRQNWVPNBY-JXFKEZNVSA-N 0 3 305.425 3.311 20 30 DGEDHN C[C@H]1C[C@@H](NCc2ccccc2C#N)CN1Cc1ccccc1 ZINC001171724813 1096954855 /nfs/dbraw/zinc/95/48/55/1096954855.db2.gz BOJZIRQNWVPNBY-OXJNMPFZSA-N 0 3 305.425 3.311 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277231739 1096969045 /nfs/dbraw/zinc/96/90/45/1096969045.db2.gz QCSPLOPKJNZFDS-MRXNPFEDSA-N 0 3 318.465 3.421 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001277233408 1096973228 /nfs/dbraw/zinc/97/32/28/1096973228.db2.gz NRBGTJYPDFUWBG-QGZVFWFLSA-N 0 3 304.478 3.457 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CC(CC#N)C2)CC12CCC2 ZINC001171846260 1096991021 /nfs/dbraw/zinc/99/10/21/1096991021.db2.gz ULLORZOWBZQNNJ-OAHLLOKOSA-N 0 3 319.449 3.154 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(Cl)c1Cl ZINC001171919508 1097001866 /nfs/dbraw/zinc/00/18/66/1097001866.db2.gz YTPWVZLZEDRILA-UHFFFAOYSA-N 0 3 321.635 3.455 20 30 DGEDHN CC1(C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CCC1 ZINC001227957511 1097019638 /nfs/dbraw/zinc/01/96/38/1097019638.db2.gz JVARGRFUYJPGFE-RTBURBONSA-N 0 3 324.468 3.245 20 30 DGEDHN C[C@@H](CC#N)NC1CCN(c2ccc(Br)cc2)CC1 ZINC001171988553 1097030476 /nfs/dbraw/zinc/03/04/76/1097030476.db2.gz IWTUFDHJWSIPBE-LBPRGKRZSA-N 0 3 322.250 3.310 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001228111773 1097052938 /nfs/dbraw/zinc/05/29/38/1097052938.db2.gz FCNBOBCLUXXZPQ-IAOVAPTHSA-N 0 3 319.449 3.102 20 30 DGEDHN Cc1cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c(C)cc1C#N ZINC001228147008 1097062725 /nfs/dbraw/zinc/06/27/25/1097062725.db2.gz IOUQHOLCGNBVSL-IYARVYRRSA-N 0 3 314.429 3.197 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001277285331 1097079398 /nfs/dbraw/zinc/07/93/98/1097079398.db2.gz OIUCUPWSJYNRRR-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001277285847 1097080821 /nfs/dbraw/zinc/08/08/21/1097080821.db2.gz RCGLMXQEKYAAOE-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001277285848 1097080940 /nfs/dbraw/zinc/08/09/40/1097080940.db2.gz RCGLMXQEKYAAOE-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)CC1 ZINC001172310254 1097097136 /nfs/dbraw/zinc/09/71/36/1097097136.db2.gz BUHYLZYEIICQMI-GOSISDBHSA-N 0 3 319.452 3.307 20 30 DGEDHN CC(C)COCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001172467115 1097164330 /nfs/dbraw/zinc/16/43/30/1097164330.db2.gz JUPPIIUGNLAQST-QGZVFWFLSA-N 0 3 315.461 3.131 20 30 DGEDHN CC(C)N(C)Cc1cnc2n1CCN([C@@H](C)CCCC#N)[C@H]2C ZINC001172495693 1097169708 /nfs/dbraw/zinc/16/97/08/1097169708.db2.gz TTYXMAYEFMCVEH-HOTGVXAUSA-N 0 3 317.481 3.182 20 30 DGEDHN C[C@H](CCCC#N)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001172499995 1097171900 /nfs/dbraw/zinc/17/19/00/1097171900.db2.gz IBYHJSBKTIDEJH-MRXNPFEDSA-N 0 3 308.429 3.439 20 30 DGEDHN CCCC[C@@H]1C[C@@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172624629 1097206774 /nfs/dbraw/zinc/20/67/74/1097206774.db2.gz XQDLWPGYFXSDCE-LSDHHAIUSA-N 0 3 309.454 3.448 20 30 DGEDHN CCCC[C@H]1C[C@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172624624 1097207203 /nfs/dbraw/zinc/20/72/03/1097207203.db2.gz XQDLWPGYFXSDCE-CABCVRRESA-N 0 3 309.454 3.448 20 30 DGEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3)CC2)c(C#N)c1 ZINC001229036625 1097241885 /nfs/dbraw/zinc/24/18/85/1097241885.db2.gz VNJRGZQGDMHKEP-UHFFFAOYSA-N 0 3 317.392 3.473 20 30 DGEDHN Cc1cc(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)ccc1C#N ZINC001229213733 1097277181 /nfs/dbraw/zinc/27/71/81/1097277181.db2.gz ZPVASEKJEBGBBJ-CRAIPNDOSA-N 0 3 307.397 3.476 20 30 DGEDHN C[C@@H]1CC[C@@H](N2CCC[C@@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173066451 1097316625 /nfs/dbraw/zinc/31/66/25/1097316625.db2.gz QEOZXEXYDLTKAA-BZUAXINKSA-N 0 3 321.465 3.400 20 30 DGEDHN Cc1nnc(O[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1C ZINC001229439791 1097320613 /nfs/dbraw/zinc/32/06/13/1097320613.db2.gz SCKMDVQFYMYOOH-QGZVFWFLSA-N 0 3 322.412 3.009 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@H](C)CCCCC)CC1 ZINC001229485881 1097330017 /nfs/dbraw/zinc/33/00/17/1097330017.db2.gz LCTRQNUODLVBMA-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001277432173 1097413422 /nfs/dbraw/zinc/41/34/22/1097413422.db2.gz VTPONASLJQROGB-HDICACEKSA-N 0 3 316.489 3.147 20 30 DGEDHN CCCCCCCCC[C@@H](CCC)NS(=O)(=O)CCN ZINC001173284322 1097413985 /nfs/dbraw/zinc/41/39/85/1097413985.db2.gz FGVBLKAYHIVTBY-OAHLLOKOSA-N 0 3 306.516 3.174 20 30 DGEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(CC#N)CC1 ZINC001173336447 1097420830 /nfs/dbraw/zinc/42/08/30/1097420830.db2.gz ZILMYXITYVQGLJ-FHERZECASA-N 0 3 321.465 3.400 20 30 DGEDHN N#CCC1CCC(NCc2cccnc2Br)CC1 ZINC001173334464 1097420939 /nfs/dbraw/zinc/42/09/39/1097420939.db2.gz SITWSHARKGTPNO-UHFFFAOYSA-N 0 3 308.223 3.406 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NCCF)c1ccccc1 ZINC001230229386 1097460504 /nfs/dbraw/zinc/46/05/04/1097460504.db2.gz PWAQBWUPCJUXSR-CGTJXYLNSA-N 0 3 318.436 3.333 20 30 DGEDHN CC1(C#N)CCC(N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC001173596222 1097467383 /nfs/dbraw/zinc/46/73/83/1097467383.db2.gz OGVZFJHAJHRWRZ-UHFFFAOYSA-N 0 3 324.428 3.422 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)CCc2ccccc2)CC1 ZINC001230417337 1097489817 /nfs/dbraw/zinc/48/98/17/1097489817.db2.gz KLMYXGHQLKWYGY-KRWDZBQOSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCCC(=O)N1CCC([C@@H]2CCCN2CC(=C)Cl)CC1 ZINC001230557742 1097512862 /nfs/dbraw/zinc/51/28/62/1097512862.db2.gz QZIDVZCMTUSXIR-KRWDZBQOSA-N 0 3 322.880 3.245 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C1CCCC1)Cc1cccnc1 ZINC001230647071 1097545472 /nfs/dbraw/zinc/54/54/72/1097545472.db2.gz DRLZUFMDWABFJN-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@@H](C)CC)Cc1cccnc1 ZINC001230675426 1097552948 /nfs/dbraw/zinc/55/29/48/1097552948.db2.gz PZDCSMOJPRYIGN-INIZCTEOSA-N 0 3 303.450 3.012 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001230753083 1097574395 /nfs/dbraw/zinc/57/43/95/1097574395.db2.gz QWJGIVZJUDXIBC-KRWDZBQOSA-N 0 3 319.493 3.450 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cccn1C ZINC001230765269 1097577765 /nfs/dbraw/zinc/57/77/65/1097577765.db2.gz CMNKEPPMFJRKQJ-MRXNPFEDSA-N 0 3 305.466 3.142 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCCO1 ZINC001230824322 1097599433 /nfs/dbraw/zinc/59/94/33/1097599433.db2.gz XEFKTPVVZSWVJZ-ZWKOTPCHSA-N 0 3 324.509 3.449 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001231059658 1097658045 /nfs/dbraw/zinc/65/80/45/1097658045.db2.gz AEPCDWZDPOGAST-MSOLQXFVSA-N 0 3 324.509 3.471 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1=COCCC1 ZINC001231115490 1097672274 /nfs/dbraw/zinc/67/22/74/1097672274.db2.gz VPMBCKIFANCXOD-QGZVFWFLSA-N 0 3 308.466 3.184 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCC1(F)F ZINC001231178405 1097690083 /nfs/dbraw/zinc/69/00/83/1097690083.db2.gz KQRYJBWHKCGNCD-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CC[C@@H](C)CC)C2)CC1 ZINC001277495527 1097693677 /nfs/dbraw/zinc/69/36/77/1097693677.db2.gz FSSJFPFLGXYIRL-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231245925 1097701489 /nfs/dbraw/zinc/70/14/89/1097701489.db2.gz BXYWJWXVOQTXPO-JKSUJKDBSA-N 0 3 312.523 3.265 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cnccc1C ZINC001231359294 1097730481 /nfs/dbraw/zinc/73/04/81/1097730481.db2.gz LZOLDEFHQQBVPD-KRWDZBQOSA-N 0 3 315.461 3.283 20 30 DGEDHN Cc1cnccc1Nc1cc(F)c(Br)cc1C#N ZINC001174538202 1097749154 /nfs/dbraw/zinc/74/91/54/1097749154.db2.gz FHBTUWFZWWQPKB-UHFFFAOYSA-N 0 3 306.138 3.329 20 30 DGEDHN C[C@@H](CC(=O)NCCCNCc1ccccc1C#N)C(C)(C)C ZINC001174570733 1097763927 /nfs/dbraw/zinc/76/39/27/1097763927.db2.gz IHESRKRWAWXRIB-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN COCCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC001231504459 1097766840 /nfs/dbraw/zinc/76/68/40/1097766840.db2.gz HCQOAVWSTYIGAR-INIZCTEOSA-N 0 3 302.418 3.228 20 30 DGEDHN O[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)CC[C@H]1F ZINC001231577149 1097782980 /nfs/dbraw/zinc/78/29/80/1097782980.db2.gz POZZFTWSYHSOMX-NHCUHLMSSA-N 0 3 323.411 3.381 20 30 DGEDHN C#Cc1cccc(CN2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC001231659162 1097806284 /nfs/dbraw/zinc/80/62/84/1097806284.db2.gz IAWCKTZCRMYHIW-SFHVURJKSA-N 0 3 304.437 3.374 20 30 DGEDHN C#Cc1cccc(CN2CCN(CCc3cccs3)CC2)c1 ZINC001231659868 1097807354 /nfs/dbraw/zinc/80/73/54/1097807354.db2.gz VEMQIQFUQYHABK-UHFFFAOYSA-N 0 3 310.466 3.090 20 30 DGEDHN CCN(Cc1ccc(N(C)CCC#N)cc1)Cc1cccnc1 ZINC001231817139 1097853673 /nfs/dbraw/zinc/85/36/73/1097853673.db2.gz BCZOFTUWZFHQLV-UHFFFAOYSA-N 0 3 308.429 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](NCc1nc(C)oc1C)C(C)C ZINC001277581904 1097881082 /nfs/dbraw/zinc/88/10/82/1097881082.db2.gz IPIIKJGORLGPPP-OAHLLOKOSA-N 0 3 321.465 3.124 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001174979349 1097914913 /nfs/dbraw/zinc/91/49/13/1097914913.db2.gz XSVJIGCQIQKJBY-AWEZNQCLSA-N 0 3 307.438 3.104 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)nc1C)C2 ZINC001232083887 1097934148 /nfs/dbraw/zinc/93/41/48/1097934148.db2.gz KHOMMBMTXGOIAM-OALUTQOASA-N 0 3 316.445 3.025 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCCNCc2nccs2)C1 ZINC001175150459 1097946174 /nfs/dbraw/zinc/94/61/74/1097946174.db2.gz OBPCMWXQVFIWNY-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200061 1097963037 /nfs/dbraw/zinc/96/30/37/1097963037.db2.gz OHNBMSMRCNYZLH-HNNXBMFYSA-N 0 3 318.848 3.022 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2c(s1)CCCC2 ZINC001175333755 1098014837 /nfs/dbraw/zinc/01/48/37/1098014837.db2.gz HSTJGNWQQGAMLT-UHFFFAOYSA-N 0 3 312.866 3.089 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1c(C)cccc1F)CC2 ZINC001232483706 1098053402 /nfs/dbraw/zinc/05/34/02/1098053402.db2.gz PKPVWZDPZCPVHD-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1coc2cc(C)ccc12 ZINC001175500557 1098072766 /nfs/dbraw/zinc/07/27/66/1098072766.db2.gz ZEUUYDOFWBFVCQ-UHFFFAOYSA-N 0 3 320.820 3.132 20 30 DGEDHN N#Cc1ccc(O)c(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506109 1098076578 /nfs/dbraw/zinc/07/65/78/1098076578.db2.gz PCFPKKFDLRWZJH-UHFFFAOYSA-N 0 3 305.381 3.466 20 30 DGEDHN SC1CCN(Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001232599087 1098091994 /nfs/dbraw/zinc/09/19/94/1098091994.db2.gz PHSQLJVRFSEWTH-UHFFFAOYSA-N 0 3 307.850 3.420 20 30 DGEDHN COC(=O)c1cccc2c(CN3CCC(C)(C#N)CC3)c[nH]c21 ZINC001232710484 1098119157 /nfs/dbraw/zinc/11/91/57/1098119157.db2.gz OWUVEKYPFBBMTM-UHFFFAOYSA-N 0 3 311.385 3.080 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4ncsc4c3)CCC2S1 ZINC001232740307 1098125144 /nfs/dbraw/zinc/12/51/44/1098125144.db2.gz ZTWFKNMTZWNVFP-CYBMUJFWSA-N 0 3 302.424 3.070 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2nc(C)c(C)s2)C[C@H]1C ZINC001277723823 1098151520 /nfs/dbraw/zinc/15/15/20/1098151520.db2.gz WDNTULUJOUGHNL-DOMZBBRYSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCN(CC=C)Cc1c[nH]c2cc(Br)ncc12 ZINC001232861140 1098155635 /nfs/dbraw/zinc/15/56/35/1098155635.db2.gz RVACKKZSRBFOTR-UHFFFAOYSA-N 0 3 306.207 3.499 20 30 DGEDHN Cc1cnccc1O[C@@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC001233083558 1098222272 /nfs/dbraw/zinc/22/22/72/1098222272.db2.gz PVSCRHYZDWIUNO-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001233083107 1098222376 /nfs/dbraw/zinc/22/23/76/1098222376.db2.gz URWKZCBLBCZNGO-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN COCC[C@@H]1CCCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100374 1098227011 /nfs/dbraw/zinc/22/70/11/1098227011.db2.gz HJPAFYATHKZGHS-HNNXBMFYSA-N 0 3 319.424 3.154 20 30 DGEDHN CN(C)c1ccc(CN(C)CCc2cccs2)c(F)c1C#N ZINC001233101119 1098227357 /nfs/dbraw/zinc/22/73/57/1098227357.db2.gz RGNFNWRKELYNFP-UHFFFAOYSA-N 0 3 317.433 3.499 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001176071434 1098241776 /nfs/dbraw/zinc/24/17/76/1098241776.db2.gz YRAYOHFODHAHAC-CABCVRRESA-N 0 3 318.848 3.205 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C)c(O)c1)C2 ZINC001233232498 1098259010 /nfs/dbraw/zinc/25/90/10/1098259010.db2.gz HCVSUKQJBAJZDB-PKOBYXMFSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCCOCC=C ZINC001233490214 1098348572 /nfs/dbraw/zinc/34/85/72/1098348572.db2.gz OQXYFAKVKADZFO-SFHVURJKSA-N 0 3 322.493 3.248 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001233634442 1098394902 /nfs/dbraw/zinc/39/49/02/1098394902.db2.gz LOBBTBFPONCPRZ-IAGOWNOFSA-N 0 3 310.482 3.059 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCCCO1 ZINC001233662103 1098401499 /nfs/dbraw/zinc/40/14/99/1098401499.db2.gz CAEPIQYMFCCNJB-QZTJIDSGSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1csnc1C ZINC001233706826 1098414309 /nfs/dbraw/zinc/41/43/09/1098414309.db2.gz OTVDCGSWPMPJIF-OAHLLOKOSA-N 0 3 321.490 3.344 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001233741271 1098420140 /nfs/dbraw/zinc/42/01/40/1098420140.db2.gz IFUALYLDNIFOOI-QGZVFWFLSA-N 0 3 316.449 3.003 20 30 DGEDHN COc1cc(/C=N/[O-])ccc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001233801601 1098433641 /nfs/dbraw/zinc/43/36/41/1098433641.db2.gz BNFUFHPSEBNRIV-LDADJPATSA-N 0 3 306.406 3.145 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H](C)OC ZINC001233827254 1098438173 /nfs/dbraw/zinc/43/81/73/1098438173.db2.gz HEEKIOINZQCGAK-IAGOWNOFSA-N 0 3 310.482 3.081 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001233865284 1098444588 /nfs/dbraw/zinc/44/45/88/1098444588.db2.gz HIAWKAJJECDAFN-QGZVFWFLSA-N 0 3 319.493 3.450 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(CCOc2ccccc2C#N)CCO1 ZINC001176990533 1098461332 /nfs/dbraw/zinc/46/13/32/1098461332.db2.gz JFDQRBNZBHAHNN-KRWDZBQOSA-N 0 3 302.418 3.074 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001233946722 1098463605 /nfs/dbraw/zinc/46/36/05/1098463605.db2.gz DOYRQLBLKOMRJE-IEBWSBKVSA-N 0 3 310.441 3.010 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(CC)oc2ccccc21 ZINC001177075086 1098472022 /nfs/dbraw/zinc/47/20/22/1098472022.db2.gz XJKGZGNSZNXEQS-UHFFFAOYSA-N 0 3 320.820 3.457 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234001383 1098474440 /nfs/dbraw/zinc/47/44/40/1098474440.db2.gz FGCBJLJFHFGBRB-GDBMZVCRSA-N 0 3 304.434 3.397 20 30 DGEDHN CN(C[C@@H]1CCN1CC/C=C\c1ccccc1)C(=O)C#CC1CC1 ZINC001234177373 1098510091 /nfs/dbraw/zinc/51/00/91/1098510091.db2.gz AZXIZDDCKJKDJE-JUIXODQZSA-N 0 3 322.452 3.036 20 30 DGEDHN CN(C[C@@H]1CCN1CC1CC2(CCC2)C1)C(=O)C#CC(C)(C)C ZINC001234215451 1098515811 /nfs/dbraw/zinc/51/58/11/1098515811.db2.gz LJRLYIHUTAXQBH-KRWDZBQOSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234356497 1098543082 /nfs/dbraw/zinc/54/30/82/1098543082.db2.gz LDCSTYJDQBIZHT-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001234403694 1098548113 /nfs/dbraw/zinc/54/81/13/1098548113.db2.gz XYZNJMHMKRPOOJ-VSZNYVQBSA-N 0 3 302.462 3.088 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001234627189 1098624692 /nfs/dbraw/zinc/62/46/92/1098624692.db2.gz ZNDLFGZVBFVWAC-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(C)C[C@H]1CCN1CCCCCC)OCC ZINC001234642083 1098628070 /nfs/dbraw/zinc/62/80/70/1098628070.db2.gz GXPTURJYUKZBDV-MSOLQXFVSA-N 0 3 324.509 3.471 20 30 DGEDHN CCN1CCN(c2ccc(O[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC001234658000 1098635354 /nfs/dbraw/zinc/63/53/54/1098635354.db2.gz QRLAODTVFSORRV-FQEVSTJZSA-N 0 3 321.424 3.472 20 30 DGEDHN C=CCN(C)Cc1ccc(-n2ccnc2)c(Br)c1 ZINC001235033966 1098764913 /nfs/dbraw/zinc/76/49/13/1098764913.db2.gz HWEMYEHRUAJARA-UHFFFAOYSA-N 0 3 306.207 3.253 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001178311965 1098791883 /nfs/dbraw/zinc/79/18/83/1098791883.db2.gz OYHGMLRRJYCYQM-BBRMVZONSA-N 0 3 306.837 3.385 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCC1CCC1 ZINC001178437641 1098814696 /nfs/dbraw/zinc/81/46/96/1098814696.db2.gz LVHKSQRFBDRONS-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN CC(C)C#CC(=O)NCCCCCCNC/C(Cl)=C/Cl ZINC001178427330 1098833712 /nfs/dbraw/zinc/83/37/12/1098833712.db2.gz ZQZBWTQXSTVNGR-KAMYIIQDSA-N 0 3 319.276 3.231 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCC2CCCCC2)C[C@H]1C ZINC001281681432 1098837545 /nfs/dbraw/zinc/83/75/45/1098837545.db2.gz AXEYNWJRDBGFMG-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN CCCC1(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)CC1 ZINC001277928042 1098846972 /nfs/dbraw/zinc/84/69/72/1098846972.db2.gz BORMCBFODOZMKL-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC/C=C/CCC)CCC1 ZINC001235209127 1098878219 /nfs/dbraw/zinc/87/82/19/1098878219.db2.gz JLRREFWZEUDWDM-LKGOPFMKSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CCC(=O)NCCCCCCNCc1ccn(CC)n1 ZINC001178598444 1098883627 /nfs/dbraw/zinc/88/36/27/1098883627.db2.gz GQVYPKUVDLPMAU-UHFFFAOYSA-N 0 3 320.481 3.026 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C1CC(C)(C)C1 ZINC001178606165 1098885840 /nfs/dbraw/zinc/88/58/40/1098885840.db2.gz RFQUMHAABJOZLZ-LPHOPBHVSA-N 0 3 324.468 3.053 20 30 DGEDHN C#Cc1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001178758687 1098926618 /nfs/dbraw/zinc/92/66/18/1098926618.db2.gz DREQNLZMVMULFA-UHFFFAOYSA-N 0 3 301.292 3.279 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178794821 1098932214 /nfs/dbraw/zinc/93/22/14/1098932214.db2.gz CJQMHBCCQPQKRT-HKUYNNGSSA-N 0 3 324.468 3.219 20 30 DGEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)cc(C)c1OCCO ZINC001235365342 1098981460 /nfs/dbraw/zinc/98/14/60/1098981460.db2.gz VODQEIAKWYGENP-UHFFFAOYSA-N 0 3 324.424 3.178 20 30 DGEDHN CC[C@@H](F)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001179268877 1099046150 /nfs/dbraw/zinc/04/61/50/1099046150.db2.gz CSEXRJPUZAPHCT-QGZVFWFLSA-N 0 3 319.424 3.073 20 30 DGEDHN C#CC[C@H](COC)NCc1cc(Cl)cc(Br)c1 ZINC001179291849 1099053988 /nfs/dbraw/zinc/05/39/88/1099053988.db2.gz XTZNKPCZBCNITP-CYBMUJFWSA-N 0 3 316.626 3.230 20 30 DGEDHN N#CCc1ccccc1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001235514195 1099071207 /nfs/dbraw/zinc/07/12/07/1099071207.db2.gz IVOYNNOYVGAHLH-UHFFFAOYSA-N 0 3 306.356 3.143 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001235551540 1099085486 /nfs/dbraw/zinc/08/54/86/1099085486.db2.gz UQOKLIZUJBNNTO-KURKYZTESA-N 0 3 324.509 3.305 20 30 DGEDHN N#Cc1cccc(Cl)c1CN1CCN[C@H](c2ccccc2)C1 ZINC001235853363 1099213326 /nfs/dbraw/zinc/21/33/26/1099213326.db2.gz LNCRWKQTOTWRLW-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1cc(-c2cccc3cc([C@H]4CNCCO4)cn32)ccc1F ZINC001235895088 1099238773 /nfs/dbraw/zinc/23/87/73/1099238773.db2.gz CDWYFPLNXRLQOV-LJQANCHMSA-N 0 3 321.355 3.278 20 30 DGEDHN N[C@H]1CN(Cc2ccc(C#Cc3ccccc3)s2)CC[C@H]1F ZINC001235907180 1099250159 /nfs/dbraw/zinc/25/01/59/1099250159.db2.gz XAWIUPOLDMDORG-MSOLQXFVSA-N 0 3 314.429 3.019 20 30 DGEDHN Cc1cc(-c2cccc(CN3CCCCC3)c2F)nc(C#N)n1 ZINC001236003567 1099324804 /nfs/dbraw/zinc/32/48/04/1099324804.db2.gz BONCNQHNYUVLPV-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccnc1-c1ccccc1 ZINC001187826626 1099621438 /nfs/dbraw/zinc/62/14/38/1099621438.db2.gz APPAAJCJFXQWHQ-KRWDZBQOSA-N 0 3 321.424 3.129 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001188039917 1099658637 /nfs/dbraw/zinc/65/86/37/1099658637.db2.gz LUYKJRTVLMQQSR-SJORKVTESA-N 0 3 318.848 3.047 20 30 DGEDHN C=CCCCCCN1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001188074466 1099679266 /nfs/dbraw/zinc/67/92/66/1099679266.db2.gz CTQHBQAEJFRXHA-LSDHHAIUSA-N 0 3 319.474 3.036 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001273553722 1099691333 /nfs/dbraw/zinc/69/13/33/1099691333.db2.gz HBDIIEIYLCLYBI-OAHLLOKOSA-N 0 3 320.864 3.247 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC001188203766 1099713395 /nfs/dbraw/zinc/71/33/95/1099713395.db2.gz MPQASIOVGXRDIZ-DAWZGUTISA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCC[C@@H]1CNCCF)c1ccccc1 ZINC001278015306 1099807976 /nfs/dbraw/zinc/80/79/76/1099807976.db2.gz BMTQBLCSUDLXMG-QZTJIDSGSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001188925697 1099891593 /nfs/dbraw/zinc/89/15/93/1099891593.db2.gz PALODEGDNKDBCG-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001188925697 1099891600 /nfs/dbraw/zinc/89/16/00/1099891600.db2.gz PALODEGDNKDBCG-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC001189274834 1100015516 /nfs/dbraw/zinc/01/55/16/1100015516.db2.gz LOAXHGASDRPSOL-QGZVFWFLSA-N 0 3 315.461 3.348 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)CCOC2CCCCCC2)C1 ZINC001189319430 1100023281 /nfs/dbraw/zinc/02/32/81/1100023281.db2.gz ZMXHRSFYOVAQRS-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN COc1cccc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001237191079 1100026064 /nfs/dbraw/zinc/02/60/64/1100026064.db2.gz MRBVBVUOPFVIGX-ZDUSSCGKSA-N 0 3 309.818 3.123 20 30 DGEDHN Cn1cc(CN2CC[C@H]3OCCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237464208 1100132766 /nfs/dbraw/zinc/13/27/66/1100132766.db2.gz CWKMDTKKEAWLRT-DNVCBOLYSA-N 0 3 309.413 3.051 20 30 DGEDHN Cn1cc(CN2CC[C@H](C(F)(F)F)C2)c2cc(C#N)ccc21 ZINC001237469748 1100133492 /nfs/dbraw/zinc/13/34/92/1100133492.db2.gz ATDQIPSVUQKKQE-ZDUSSCGKSA-N 0 3 307.319 3.434 20 30 DGEDHN CC[C@H](C)CC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189894723 1100156127 /nfs/dbraw/zinc/15/61/27/1100156127.db2.gz YVKILQZYLMXDGT-MAUKXSAKSA-N 0 3 313.445 3.027 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001190046112 1100192390 /nfs/dbraw/zinc/19/23/90/1100192390.db2.gz FEQGKINBEJVNIL-KRWDZBQOSA-N 0 3 318.848 3.032 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190370154 1100263617 /nfs/dbraw/zinc/26/36/17/1100263617.db2.gz HRMPEIOEDHSXPC-ROUUACIJSA-N 0 3 324.509 3.328 20 30 DGEDHN CC(C)CCOC1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001190699694 1100319323 /nfs/dbraw/zinc/31/93/23/1100319323.db2.gz MPSGDEZQVOCGEH-LJQANCHMSA-N 0 3 316.445 3.119 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001273607616 1100340575 /nfs/dbraw/zinc/34/05/75/1100340575.db2.gz POVADILOKFQQDP-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN CCCCCCCCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(N)=O ZINC001278182205 1100343534 /nfs/dbraw/zinc/34/35/34/1100343534.db2.gz RBOWBZBIROOLPQ-MLHJIOFPSA-N 0 3 324.509 3.216 20 30 DGEDHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)cc1Cl)C2 ZINC001238083942 1100355391 /nfs/dbraw/zinc/35/53/91/1100355391.db2.gz ZIQWKKRDWAGWJE-WBVHZDCISA-N 0 3 304.821 3.460 20 30 DGEDHN CC#CCNC[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc2ccccc2c1 ZINC001278205602 1100400590 /nfs/dbraw/zinc/40/05/90/1100400590.db2.gz CCTUUIVBVJDAAT-CDHQVMDDSA-N 0 3 320.436 3.266 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C(C)(C)C=C)c1ccc2ccccc2c1 ZINC001278208349 1100405839 /nfs/dbraw/zinc/40/58/39/1100405839.db2.gz XBVJUJITQDUXDG-LJQANCHMSA-N 0 3 320.436 3.432 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001191792273 1100522935 /nfs/dbraw/zinc/52/29/35/1100522935.db2.gz YVBDVPWKRIEIRA-YVDYPEBHSA-N 0 3 323.440 3.113 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001191860226 1100527879 /nfs/dbraw/zinc/52/78/79/1100527879.db2.gz YLMCRDSJZFBAID-QGZVFWFLSA-N 0 3 318.486 3.283 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191867427 1100536396 /nfs/dbraw/zinc/53/63/96/1100536396.db2.gz BCBHNRLMDRWGKL-MAUKXSAKSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001191889881 1100540968 /nfs/dbraw/zinc/54/09/68/1100540968.db2.gz LXVLQKIUFUUJQG-QAPCUYQASA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001192058789 1100570319 /nfs/dbraw/zinc/57/03/19/1100570319.db2.gz BBGLNCSOLRMKIF-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCNCC2(C)C)c1 ZINC001239286083 1100621527 /nfs/dbraw/zinc/62/15/27/1100621527.db2.gz CPSFAVZANFNHAT-UHFFFAOYSA-N 0 3 315.461 3.348 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2[C@H](C)CNC[C@H]2C)c1 ZINC001239291936 1100623253 /nfs/dbraw/zinc/62/32/53/1100623253.db2.gz UGSVQKVAWPVKMS-HUUCEWRRSA-N 0 3 315.461 3.347 20 30 DGEDHN C#Cc1ccc(NC(=O)CCNC2(c3cccc(F)c3)CC2)cc1 ZINC001192690209 1100652015 /nfs/dbraw/zinc/65/20/15/1100652015.db2.gz QCCVUXGNLSJKFP-UHFFFAOYSA-N 0 3 322.383 3.415 20 30 DGEDHN C[C@H](NC[C@H](O)c1cccc(C#N)c1)c1cccc(F)c1F ZINC001192801231 1100663316 /nfs/dbraw/zinc/66/33/16/1100663316.db2.gz FHWTZRQATLEYCP-ZBEGNZNMSA-N 0 3 302.324 3.221 20 30 DGEDHN CC[C@H]1CN(Cc2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC001193211810 1100717766 /nfs/dbraw/zinc/71/77/66/1100717766.db2.gz XZUSIBAVKKZNCJ-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(OCCCC)cc2)C1 ZINC001193981111 1100848656 /nfs/dbraw/zinc/84/86/56/1100848656.db2.gz FPWPPXQNYWEFRT-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCC2CC2)C12CCC2 ZINC001203296628 1100906490 /nfs/dbraw/zinc/90/64/90/1100906490.db2.gz TUHNMJWDCYCFSK-LSDHHAIUSA-N 0 3 310.869 3.336 20 30 DGEDHN CCCCCCCCCOC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC001194910951 1101035667 /nfs/dbraw/zinc/03/56/67/1101035667.db2.gz AERZBNNARIGMIK-INIZCTEOSA-N 0 3 314.470 3.136 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](CC)OCC)CC1 ZINC001195063400 1101060485 /nfs/dbraw/zinc/06/04/85/1101060485.db2.gz NLYCJBBANMBUED-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCCOc1ccc(C(=O)NC[C@@H]2CCCN2CC=C)cc1 ZINC001195141286 1101081431 /nfs/dbraw/zinc/08/14/31/1101081431.db2.gz IRJANQFIWXVMHZ-KRWDZBQOSA-N 0 3 314.429 3.022 20 30 DGEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001195271457 1101109366 /nfs/dbraw/zinc/10/93/66/1101109366.db2.gz MFDVFVDNMFIRKW-KZNAEPCWSA-N 0 3 324.509 3.111 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccc(F)nc2)CC1 ZINC001195322155 1101113219 /nfs/dbraw/zinc/11/32/19/1101113219.db2.gz VKMMMZADEBODAK-UHFFFAOYSA-N 0 3 321.440 3.339 20 30 DGEDHN Cc1cccc([C@@H](C)N2CCCN(C(=O)C#CC(C)C)CC2)c1 ZINC001195754088 1101188999 /nfs/dbraw/zinc/18/89/99/1101188999.db2.gz JBSKQBMUYXMBSG-GOSISDBHSA-N 0 3 312.457 3.250 20 30 DGEDHN C=CC[C@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001195893374 1101212660 /nfs/dbraw/zinc/21/26/60/1101212660.db2.gz MQEALXGFNLHDQB-HNNXBMFYSA-N 0 3 321.428 3.035 20 30 DGEDHN Cc1cc(F)ccc1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001196099835 1101250887 /nfs/dbraw/zinc/25/08/87/1101250887.db2.gz NTNSJGZGCOUFBH-CYBMUJFWSA-N 0 3 322.430 3.105 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(CC)s2)C1=O ZINC001273727387 1101368311 /nfs/dbraw/zinc/36/83/11/1101368311.db2.gz MHZLTCRACGXCKZ-QGZVFWFLSA-N 0 3 304.459 3.063 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001196799790 1101391058 /nfs/dbraw/zinc/39/10/58/1101391058.db2.gz UYQOWRYXZZDSIB-INIZCTEOSA-N 0 3 300.462 3.485 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196895559 1101429679 /nfs/dbraw/zinc/42/96/79/1101429679.db2.gz MACGUXADYACHSW-MRXNPFEDSA-N 0 3 320.502 3.427 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1CC ZINC001110493234 1101575347 /nfs/dbraw/zinc/57/53/47/1101575347.db2.gz JBJWPIMTOWOLBM-AQNXPRMDSA-N 0 3 324.468 3.274 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2c(cccc2F)s1 ZINC001273745510 1101581762 /nfs/dbraw/zinc/58/17/62/1101581762.db2.gz YJNPCSPKSNPHOB-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN N#Cc1cccc(NC(=S)Nc2cnccc2N2CCCC2)c1 ZINC001197682602 1101640192 /nfs/dbraw/zinc/64/01/92/1101640192.db2.gz CDNWKTJPNHRSCR-UHFFFAOYSA-N 0 3 323.425 3.362 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@H](CC)c2ccccc2)CC1 ZINC001197802820 1101670394 /nfs/dbraw/zinc/67/03/94/1101670394.db2.gz XGZTVHNMGFHPAX-SFHVURJKSA-N 0 3 312.457 3.128 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccc(C)nc3C#N)cc2)CC1 ZINC001241742889 1101672783 /nfs/dbraw/zinc/67/27/83/1101672783.db2.gz KLZRHHVPZXSBJO-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC001198046424 1101733817 /nfs/dbraw/zinc/73/38/17/1101733817.db2.gz JPMGFSSJIOGJMI-IBGZPJMESA-N 0 3 312.457 3.128 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CCCOC)CC2)CCCCC1 ZINC001198221014 1101782740 /nfs/dbraw/zinc/78/27/40/1101782740.db2.gz DKUJLFBXPDTXMK-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC001198316211 1101818908 /nfs/dbraw/zinc/81/89/08/1101818908.db2.gz WBLOXJMXBHNGOS-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCCc2ccc(C)s2)CC1 ZINC001198423647 1101852301 /nfs/dbraw/zinc/85/23/01/1101852301.db2.gz UWQUBKMVZKPPCA-UHFFFAOYSA-N 0 3 320.502 3.490 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)C1CCC1)c1ccccc1OC ZINC001198483617 1101890806 /nfs/dbraw/zinc/89/08/06/1101890806.db2.gz XTVGHIYVZXVOPM-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(Cl)c2C)CC1 ZINC001198541914 1101913209 /nfs/dbraw/zinc/91/32/09/1101913209.db2.gz QMRNZZKNVPAGPS-OAHLLOKOSA-N 0 3 308.853 3.098 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCC[C@@H](C)F)c1ccccc1OC ZINC001198595364 1101920516 /nfs/dbraw/zinc/92/05/16/1101920516.db2.gz KZRSVZQRMJVEHQ-GDBMZVCRSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCC[C@H](C)F)c1ccccc1OC ZINC001198595366 1101920707 /nfs/dbraw/zinc/92/07/07/1101920707.db2.gz KZRSVZQRMJVEHQ-HOCLYGCPSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCCC1CC1)c1ccccc1OC ZINC001198596374 1101921568 /nfs/dbraw/zinc/92/15/68/1101921568.db2.gz QMRVWAHKCABWKG-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCC(C)C)c1ccccc1OC ZINC001198606263 1101924788 /nfs/dbraw/zinc/92/47/88/1101924788.db2.gz PONUMDIEQZANIA-MRXNPFEDSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@@H](C)CCC)c1ccccc1OC ZINC001198615808 1101928465 /nfs/dbraw/zinc/92/84/65/1101928465.db2.gz BZXMFBZGZGMQLS-DOTOQJQBSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CCC1CC1)c1ccccc1OC ZINC001198626459 1101933453 /nfs/dbraw/zinc/93/34/53/1101933453.db2.gz FKORAKLNQAWZFY-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)C1(C)CC1)c1ccccc1OC ZINC001198732228 1101961959 /nfs/dbraw/zinc/96/19/59/1101961959.db2.gz IZQUSVXDSFDKEF-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198753173 1101976388 /nfs/dbraw/zinc/97/63/88/1101976388.db2.gz ZHYOUNBILNNSRO-MRXNPFEDSA-N 0 3 304.434 3.208 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198753172 1101977823 /nfs/dbraw/zinc/97/78/23/1101977823.db2.gz ZHYOUNBILNNSRO-INIZCTEOSA-N 0 3 304.434 3.208 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)[C@H](F)CC)c1ccccc1OC ZINC001198834353 1101990693 /nfs/dbraw/zinc/99/06/93/1101990693.db2.gz LURAPSRDLMESSS-HZPDHXFCSA-N 0 3 322.424 3.156 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198856382 1102003426 /nfs/dbraw/zinc/00/34/26/1102003426.db2.gz HLTROUGMSFSUIC-NVXWUHKLSA-N 0 3 318.461 3.453 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198857939 1102005626 /nfs/dbraw/zinc/00/56/26/1102005626.db2.gz ZNYWJWPVOOMFFE-RDJZCZTQSA-N 0 3 318.461 3.454 20 30 DGEDHN N#Cc1ccccc1OCCN1CCSC[C@H]1C1CCC1 ZINC001618684781 1193747394 /nfs/dbraw/zinc/74/73/94/1193747394.db2.gz LVGVEBSJVZPWMH-INIZCTEOSA-N 0 3 302.443 3.155 20 30 DGEDHN Cc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c(C)o1 ZINC001242405873 1102110351 /nfs/dbraw/zinc/11/03/51/1102110351.db2.gz ZTKNULTYMUCFNI-CYBMUJFWSA-N 0 3 313.357 3.302 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3ccc(F)cc3C#N)c2)CC1 ZINC001242582560 1102223568 /nfs/dbraw/zinc/22/35/68/1102223568.db2.gz UEELXCINNRBNQV-UHFFFAOYSA-N 0 3 311.360 3.232 20 30 DGEDHN Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110542850 1102224436 /nfs/dbraw/zinc/22/44/36/1102224436.db2.gz BEOXYCSJBGTLIW-QRVBRYPASA-N 0 3 324.468 3.266 20 30 DGEDHN N#Cc1ccc(CNCCNC(=O)CCCC2CCCC2)s1 ZINC001152685065 1102241667 /nfs/dbraw/zinc/24/16/67/1102241667.db2.gz ZZUIXTWFLJIEFI-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C2 ZINC001273847837 1102375914 /nfs/dbraw/zinc/37/59/14/1102375914.db2.gz DLHIASNJDSJQSN-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CCCn2nc(C(=O)OCC)cc2C1 ZINC001201761719 1102721028 /nfs/dbraw/zinc/72/10/28/1102721028.db2.gz POASHPQRGRUACL-UHFFFAOYSA-N 0 3 307.438 3.236 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001202123473 1102842165 /nfs/dbraw/zinc/84/21/65/1102842165.db2.gz RBAXSNGQAUMHTF-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC001202130828 1102846606 /nfs/dbraw/zinc/84/66/06/1102846606.db2.gz PSMUWPIZITWOAZ-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN COc1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1CC#N ZINC001243669064 1102901063 /nfs/dbraw/zinc/90/10/63/1102901063.db2.gz NOFHXBSWKBHTEJ-UHFFFAOYSA-N 0 3 321.424 3.180 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc4[nH]cc(C#N)c4c3)c2)CC1 ZINC001243670301 1102902850 /nfs/dbraw/zinc/90/28/50/1102902850.db2.gz JZASZQNGBBTVEO-UHFFFAOYSA-N 0 3 316.408 3.458 20 30 DGEDHN O=C(Nc1cccc(Cl)c1)N1CCC2SC(=O)C=C2C1 ZINC001202241144 1102913892 /nfs/dbraw/zinc/91/38/92/1102913892.db2.gz SAAXBFKEJKZTPC-LBPRGKRZSA-N 0 3 308.790 3.146 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1csc(C)c1 ZINC001273941932 1102966288 /nfs/dbraw/zinc/96/62/88/1102966288.db2.gz AKPPTIGYTLKZNI-HZPDHXFCSA-N 0 3 304.459 3.198 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(CCCC(F)(F)F)C2 ZINC001202415719 1102974750 /nfs/dbraw/zinc/97/47/50/1102974750.db2.gz PJDOUXYBMNNNDM-KBPBESRZSA-N 0 3 307.356 3.155 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(CCCC(F)(F)F)C2 ZINC001202415917 1102975675 /nfs/dbraw/zinc/97/56/75/1102975675.db2.gz PJDOUXYBMNNNDM-ZIAGYGMSSA-N 0 3 307.356 3.155 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001488646417 1103084237 /nfs/dbraw/zinc/08/42/37/1103084237.db2.gz CFQRIJVVTJDOOX-UONOGXRCSA-N 0 3 314.420 3.167 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cccnc1C ZINC001488655585 1103090120 /nfs/dbraw/zinc/09/01/20/1103090120.db2.gz NMRDVVBZIIZOLH-KRWDZBQOSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001488655172 1103090360 /nfs/dbraw/zinc/09/03/60/1103090360.db2.gz MOMQXTBICSCPAR-KBPBESRZSA-N 0 3 322.399 3.466 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cccc(Cl)c1F ZINC001488666860 1103097304 /nfs/dbraw/zinc/09/73/04/1103097304.db2.gz IABPJYKJMGCBLL-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oncc1C)C2 ZINC001111222066 1103097574 /nfs/dbraw/zinc/09/75/74/1103097574.db2.gz NXSBVFXNNWSSOQ-OAGGEKHMSA-N 0 3 317.433 3.065 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001488667307 1103097909 /nfs/dbraw/zinc/09/79/09/1103097909.db2.gz OESWIWDQKRDSHN-CABCVRRESA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc2ccccc2c1 ZINC001488691761 1103111565 /nfs/dbraw/zinc/11/15/65/1103111565.db2.gz UFIQUIMYMZJVLE-HXUWFJFHSA-N 0 3 322.452 3.491 20 30 DGEDHN C=C[C@H](CC(=O)N(C)C[C@H]1CCN1C(C)C)c1ccccc1 ZINC001488694297 1103112139 /nfs/dbraw/zinc/11/21/39/1103112139.db2.gz UTHVSIUZFMKTFB-SJLPKXTDSA-N 0 3 300.446 3.287 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001488729326 1103126882 /nfs/dbraw/zinc/12/68/82/1103126882.db2.gz FSNAGBLFDJQQQO-HRCADAONSA-N 0 3 316.420 3.031 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](CC)c1ccccc1)C2 ZINC001111271473 1103153172 /nfs/dbraw/zinc/15/31/72/1103153172.db2.gz SKPHJYIJVDEHSH-AFYVEPGGSA-N 0 3 324.468 3.315 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1(C=C)CCCCC1 ZINC001325922674 1103163575 /nfs/dbraw/zinc/16/35/75/1103163575.db2.gz SXPWHEFXJLLUEL-ZWKOTPCHSA-N 0 3 314.473 3.212 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(C3CC3)c1)C2 ZINC001095806906 1103182672 /nfs/dbraw/zinc/18/26/72/1103182672.db2.gz SRTYOFHZAVEYTR-AABGKKOBSA-N 0 3 324.468 3.404 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCCC[C@H](C)CC)C[C@@H]2C1 ZINC001489194901 1103311762 /nfs/dbraw/zinc/31/17/62/1103311762.db2.gz ZELNXPPCOJPORC-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)CCCCC)C[C@@H]2C1 ZINC001489202607 1103314984 /nfs/dbraw/zinc/31/49/84/1103314984.db2.gz IVCXPALGBBHOEQ-OTWHNJEPSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1CCC(F)CC1 ZINC001326458046 1103323386 /nfs/dbraw/zinc/32/33/86/1103323386.db2.gz IYCJCENBXXIYMM-UHFFFAOYSA-N 0 3 318.436 3.449 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C)o2)cc1 ZINC001326491753 1103337505 /nfs/dbraw/zinc/33/75/05/1103337505.db2.gz GQJJUHZRAHHBJL-HNNXBMFYSA-N 0 3 310.397 3.192 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)n2cccc2)cc1 ZINC001326490948 1103337957 /nfs/dbraw/zinc/33/79/57/1103337957.db2.gz UIBBLXBRPFSOQK-IRXDYDNUSA-N 0 3 323.440 3.039 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1c[nH]cc1C ZINC001326496734 1103343147 /nfs/dbraw/zinc/34/31/47/1103343147.db2.gz ZLOOIRBFAJLQKE-UHFFFAOYSA-N 0 3 311.429 3.261 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccc(C)o1 ZINC001489329827 1103363241 /nfs/dbraw/zinc/36/32/41/1103363241.db2.gz JQIRRDVDTZPLNB-CVEARBPZSA-N 0 3 304.434 3.190 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114724955 1103410578 /nfs/dbraw/zinc/41/05/78/1103410578.db2.gz WDAAXMVBTWBMAY-VZEFYGNVSA-N 0 3 318.486 3.205 20 30 DGEDHN C=CCCCC(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114753624 1103426583 /nfs/dbraw/zinc/42/65/83/1103426583.db2.gz ZELUQJSRHUVLSC-QLJCABHESA-N 0 3 310.441 3.103 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)CCC1 ZINC001326903429 1103475757 /nfs/dbraw/zinc/47/57/57/1103475757.db2.gz PHMRSTCTHFKWHD-NRFANRHFSA-N 0 3 324.468 3.006 20 30 DGEDHN Cc1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc1C#N ZINC001244495074 1103481611 /nfs/dbraw/zinc/48/16/11/1103481611.db2.gz KMMBKZXQVHVDNM-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001327148755 1103554594 /nfs/dbraw/zinc/55/45/94/1103554594.db2.gz VHPURAWMDWPZKU-VQIMIIECSA-N 0 3 315.461 3.155 20 30 DGEDHN CC/C=C(\C)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001490317898 1103566314 /nfs/dbraw/zinc/56/63/14/1103566314.db2.gz SDIJBACNAUBIIE-WOJGMQOQSA-N 0 3 312.457 3.223 20 30 DGEDHN CC/C=C(/C)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001490317900 1103567269 /nfs/dbraw/zinc/56/72/69/1103567269.db2.gz SDIJBACNAUBIIE-WQRHYEAKSA-N 0 3 312.457 3.223 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN(C)Cc1ccc(F)c(F)c1 ZINC001327198781 1103582235 /nfs/dbraw/zinc/58/22/35/1103582235.db2.gz CRCFKPHKOOMPMI-UHFFFAOYSA-N 0 3 322.399 3.049 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccccn2)CCCCC1 ZINC001115556855 1103621214 /nfs/dbraw/zinc/62/12/14/1103621214.db2.gz FZAIBGWRFBTHRO-UHFFFAOYSA-N 0 3 315.461 3.347 20 30 DGEDHN COC(=O)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC001327420488 1103639042 /nfs/dbraw/zinc/63/90/42/1103639042.db2.gz QRSRMGJRLJOJPR-UHFFFAOYSA-N 0 3 320.392 3.187 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC001490560688 1103658837 /nfs/dbraw/zinc/65/88/37/1103658837.db2.gz MEOJHMNOXWASNN-RTBURBONSA-N 0 3 314.473 3.268 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC001490603429 1103676836 /nfs/dbraw/zinc/67/68/36/1103676836.db2.gz DHJKGEQERQJTPW-MJGOQNOKSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@H]3CC34CC4)cc2C1 ZINC001327696897 1103711992 /nfs/dbraw/zinc/71/19/92/1103711992.db2.gz ZDILHYAOFYVIKH-GOSISDBHSA-N 0 3 310.441 3.385 20 30 DGEDHN C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490750575 1103723002 /nfs/dbraw/zinc/72/30/02/1103723002.db2.gz DFKZJUSDWIKEEO-INIZCTEOSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490750575 1103723016 /nfs/dbraw/zinc/72/30/16/1103723016.db2.gz DFKZJUSDWIKEEO-INIZCTEOSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3ccccc3C1)C2 ZINC001096068719 1103748566 /nfs/dbraw/zinc/74/85/66/1103748566.db2.gz WJWKKSSFPXWKCX-ZRNYENFQSA-N 0 3 324.468 3.089 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C(C)C)C2 ZINC001096127907 1103762510 /nfs/dbraw/zinc/76/25/10/1103762510.db2.gz MYKMBSVQQWMAPI-RDBSUJKOSA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CCC1 ZINC001110652797 1103772063 /nfs/dbraw/zinc/77/20/63/1103772063.db2.gz VIPGBJWKIPTYAD-QRVBRYPASA-N 0 3 322.452 3.102 20 30 DGEDHN CCc1cc(-c2cncc([C@@H]3CN4CCC3CC4)n2)ccc1C#N ZINC001244951173 1103777507 /nfs/dbraw/zinc/77/75/07/1103777507.db2.gz BUFBMYKOCHKERY-GOSISDBHSA-N 0 3 318.424 3.387 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC001096179151 1103778382 /nfs/dbraw/zinc/77/83/82/1103778382.db2.gz YFTUCPNNMAQQCP-WCZJQEMASA-N 0 3 316.445 3.298 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(Cc3ccccc3)CC1)C2 ZINC001110676744 1103785279 /nfs/dbraw/zinc/78/52/79/1103785279.db2.gz PDLXUTXGSGTTKD-QRVBRYPASA-N 0 3 324.468 3.307 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccc(C)s1)C2 ZINC001096332464 1103801374 /nfs/dbraw/zinc/80/13/74/1103801374.db2.gz JXLWQMUUGQNSLF-WCVJEAGWSA-N 0 3 318.486 3.458 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1CCC)C2 ZINC001096344345 1103806840 /nfs/dbraw/zinc/80/68/40/1103806840.db2.gz LEVBEGATPDSUAH-KBMXLJTQSA-N 0 3 302.418 3.143 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1C)C2 ZINC001096391503 1103819390 /nfs/dbraw/zinc/81/93/90/1103819390.db2.gz APPFKNXSVVZQEQ-PVAVHDDUSA-N 0 3 302.393 3.045 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cnccc2C)CC1(C)C ZINC001328069262 1103832850 /nfs/dbraw/zinc/83/28/50/1103832850.db2.gz WSBQJLACCGMGQX-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3[nH]ccc3s1)C2 ZINC001096437122 1103833483 /nfs/dbraw/zinc/83/34/83/1103833483.db2.gz XXVUPAUGUKLEQW-DYEKYZERSA-N 0 3 315.442 3.141 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001328080186 1103834809 /nfs/dbraw/zinc/83/48/09/1103834809.db2.gz DIQQCTDXXZAYMM-MRXNPFEDSA-N 0 3 318.486 3.268 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3cccc(C#N)c3F)c2)CC1 ZINC001245067598 1103837620 /nfs/dbraw/zinc/83/76/20/1103837620.db2.gz ALOLNBSCNBOTNH-UHFFFAOYSA-N 0 3 311.360 3.232 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001096481899 1103843808 /nfs/dbraw/zinc/84/38/08/1103843808.db2.gz PAKNIOBFULDTPI-WOPDTQHZSA-N 0 3 310.850 3.313 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cc(F)ccc1OC(F)(F)F ZINC001252590144 1103878285 /nfs/dbraw/zinc/87/82/85/1103878285.db2.gz ZMSYAQVVPAGUKB-GFCCVEGCSA-N 0 3 307.287 3.141 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001328240729 1103883979 /nfs/dbraw/zinc/88/39/79/1103883979.db2.gz JMBCRIDRFLKJJO-WMLDXEAASA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001490799032 1103893972 /nfs/dbraw/zinc/89/39/72/1103893972.db2.gz CXGBLHMIXHEYIC-XDNAFOTISA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC2(C=C)CCCCC2)C[C@H]1C ZINC001328280283 1103901633 /nfs/dbraw/zinc/90/16/33/1103901633.db2.gz SLWNIQCYRZYAPJ-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1ccc(C)cc1C ZINC001328376210 1103925240 /nfs/dbraw/zinc/92/52/40/1103925240.db2.gz KRNZRRXXRSQBDD-INIZCTEOSA-N 0 3 322.880 3.473 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(F)cc2)CCCC1 ZINC001153809690 1103948296 /nfs/dbraw/zinc/94/82/96/1103948296.db2.gz VQZAYEBAAKFKAQ-UHFFFAOYSA-N 0 3 304.409 3.168 20 30 DGEDHN N#CCOc1ccc(CN2CCC(Oc3ccncc3)CC2)cc1 ZINC001137115278 1103989787 /nfs/dbraw/zinc/98/97/87/1103989787.db2.gz GONGOMCDCNMDOX-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)c2cccnc12 ZINC001328748787 1104052568 /nfs/dbraw/zinc/05/25/68/1104052568.db2.gz IDVWUIFUORUQNR-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1ccccc1F ZINC001328780825 1104067932 /nfs/dbraw/zinc/06/79/32/1104067932.db2.gz OEFGYBUOOCWZPP-HUUCEWRRSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001202616686 1104083862 /nfs/dbraw/zinc/08/38/62/1104083862.db2.gz IXAXLJCDJAELJV-NWDGAFQWSA-N 0 3 317.260 3.289 20 30 DGEDHN N#CC1(c2ccccc2F)CCN(CCC2CCOCC2)CC1 ZINC001202696775 1104122158 /nfs/dbraw/zinc/12/21/58/1104122158.db2.gz ZWEVDEZCHQHQOY-UHFFFAOYSA-N 0 3 316.420 3.500 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1)CC ZINC001329011651 1104123216 /nfs/dbraw/zinc/12/32/16/1104123216.db2.gz BTTKWBNZZXMCMI-STQMWFEESA-N 0 3 319.474 3.349 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cn(C(C)C)nc1C ZINC001329050690 1104136811 /nfs/dbraw/zinc/13/68/11/1104136811.db2.gz ULWWYLADONJPSQ-GJZGRUSLSA-N 0 3 320.481 3.112 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cn(C(C)C)nc1C ZINC001329050691 1104137177 /nfs/dbraw/zinc/13/71/77/1104137177.db2.gz ULWWYLADONJPSQ-HUUCEWRRSA-N 0 3 320.481 3.112 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NCc2ccccc2F)cc1 ZINC001329089304 1104149252 /nfs/dbraw/zinc/14/92/52/1104149252.db2.gz DBOUKIWJOHOGTQ-CABCVRRESA-N 0 3 324.399 3.104 20 30 DGEDHN CC(C)(C)C#CC(=O)NC/C=C/CNCc1cccc(Cl)c1 ZINC001274015594 1104221170 /nfs/dbraw/zinc/22/11/70/1104221170.db2.gz JPOOUSXBDAELTQ-SNAWJCMRSA-N 0 3 318.848 3.152 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNCc1nccs1 ZINC001329341696 1104224305 /nfs/dbraw/zinc/22/43/05/1104224305.db2.gz FAXKCJJOSDFLSV-UHFFFAOYSA-N 0 3 323.506 3.320 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)CC(F)F)C2 ZINC001110827998 1104309310 /nfs/dbraw/zinc/30/93/10/1104309310.db2.gz KISUZZDFJBWUAZ-MCIONIFRSA-N 0 3 314.420 3.356 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H]2CCCC[C@@H]12 ZINC001329912567 1104421121 /nfs/dbraw/zinc/42/11/21/1104421121.db2.gz SEPVFGZRAOVUGK-XHSDSOJGSA-N 0 3 318.442 3.173 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCCC(F)(F)F ZINC001329935496 1104428680 /nfs/dbraw/zinc/42/86/80/1104428680.db2.gz CZUXHNZDJYJMCN-AWEZNQCLSA-N 0 3 318.383 3.103 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001330052728 1104465072 /nfs/dbraw/zinc/46/50/72/1104465072.db2.gz CHNGZHGENIWVDY-GJZGRUSLSA-N 0 3 318.436 3.017 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1)CC ZINC001274721464 1104468823 /nfs/dbraw/zinc/46/88/23/1104468823.db2.gz GHSPZLGYFRWGKX-OAHLLOKOSA-N 0 3 316.420 3.018 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1F ZINC001274727113 1104471725 /nfs/dbraw/zinc/47/17/25/1104471725.db2.gz RYVLOIQAUVCBAT-HUUCEWRRSA-N 0 3 304.409 3.175 20 30 DGEDHN C[C@H](CNCc1ccc(Cl)c(F)c1)NC(=O)C#CC(C)(C)C ZINC001274746922 1104477359 /nfs/dbraw/zinc/47/73/59/1104477359.db2.gz FRFFCYVYAZDHFO-GFCCVEGCSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001330088296 1104478144 /nfs/dbraw/zinc/47/81/44/1104478144.db2.gz KVJJZFHZYLJFLT-RTRPANQVSA-N 0 3 312.457 3.411 20 30 DGEDHN C[C@H](CN[C@@H](C)c1cccc(Cl)c1F)NC(=O)C#CC1CC1 ZINC001274747724 1104478818 /nfs/dbraw/zinc/47/88/18/1104478818.db2.gz RFYTZIVNPGXUAI-NEPJUHHUSA-N 0 3 322.811 3.048 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)cc(F)cc1C ZINC001274763644 1104481603 /nfs/dbraw/zinc/48/16/03/1104481603.db2.gz PSXGDNWVTJVSFN-ZDUSSCGKSA-N 0 3 312.816 3.293 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001330160452 1104492306 /nfs/dbraw/zinc/49/23/06/1104492306.db2.gz KSKLEKYUVVFQGI-IEBWSBKVSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)CCC ZINC001274847085 1104517252 /nfs/dbraw/zinc/51/72/52/1104517252.db2.gz LCFJSOYPAPRHQZ-SFHVURJKSA-N 0 3 300.446 3.468 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3ccsc3Cl)C2)C1=O ZINC001274859778 1104522087 /nfs/dbraw/zinc/52/20/87/1104522087.db2.gz WLUHBNDCLAOBIK-OAHLLOKOSA-N 0 3 310.850 3.012 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001274883823 1104533210 /nfs/dbraw/zinc/53/32/10/1104533210.db2.gz RBWFSKWFJWBERB-MRXNPFEDSA-N 0 3 316.420 3.018 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCC(=C)C)C1 ZINC001279172491 1104551164 /nfs/dbraw/zinc/55/11/64/1104551164.db2.gz LPLQWQZDXWKWOF-KGLIPLIRSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001278449818 1104557359 /nfs/dbraw/zinc/55/73/59/1104557359.db2.gz JIFXSMOWRXOOKB-KSSFIOAISA-N 0 3 320.864 3.285 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2cccs2)s1 ZINC001330483822 1104558025 /nfs/dbraw/zinc/55/80/25/1104558025.db2.gz MSNMYPGJXOIFHO-UHFFFAOYSA-N 0 3 318.467 3.162 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@]2(C)CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001330528155 1104568167 /nfs/dbraw/zinc/56/81/67/1104568167.db2.gz HGJXYHGIESSWIU-YTQUADARSA-N 0 3 322.468 3.099 20 30 DGEDHN N#CCOc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC001330764541 1104640392 /nfs/dbraw/zinc/64/03/92/1104640392.db2.gz AQCZLCNHDNYHES-UHFFFAOYSA-N 0 3 317.392 3.434 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CCC)c1ccccn1 ZINC001275135596 1104644087 /nfs/dbraw/zinc/64/40/87/1104644087.db2.gz LFUNBHFIQLJKQK-IAGOWNOFSA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(Cl)s1 ZINC001275151059 1104653249 /nfs/dbraw/zinc/65/32/49/1104653249.db2.gz UKCDRHIDSGPIKC-LBPRGKRZSA-N 0 3 312.866 3.053 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001279174617 1104672877 /nfs/dbraw/zinc/67/28/77/1104672877.db2.gz VCZURPKOALHALV-WMZOPIPTSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCC3CCCCC3)CCC[C@H]12 ZINC001278467516 1104696465 /nfs/dbraw/zinc/69/64/65/1104696465.db2.gz RBKQJXPGUXWJTR-HKUYNNGSSA-N 0 3 302.462 3.093 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001275381642 1104742533 /nfs/dbraw/zinc/74/25/33/1104742533.db2.gz DHGWZQKUNUHPKF-HNNXBMFYSA-N 0 3 318.436 3.098 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001280710728 1104765165 /nfs/dbraw/zinc/76/51/65/1104765165.db2.gz SEMSZOWIKGYNBZ-QGZVFWFLSA-N 0 3 304.409 3.263 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001275461659 1104766862 /nfs/dbraw/zinc/76/68/62/1104766862.db2.gz QSTCRIRTVFIUIG-IRXDYDNUSA-N 0 3 312.457 3.123 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001275535511 1104797898 /nfs/dbraw/zinc/79/78/98/1104797898.db2.gz RZIPFJFBMXSDIC-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC001275544626 1104802780 /nfs/dbraw/zinc/80/27/80/1104802780.db2.gz OYWOQRXQZKIURT-GJZGRUSLSA-N 0 3 304.409 3.127 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)CCc1c(F)cccc1F ZINC001275567372 1104812460 /nfs/dbraw/zinc/81/24/60/1104812460.db2.gz SYQBALNTGBFJHG-AWEZNQCLSA-N 0 3 324.415 3.300 20 30 DGEDHN C=CCCC(=O)N(C)C1CCC(NCc2conc2CC)CC1 ZINC001275595052 1104825102 /nfs/dbraw/zinc/82/51/02/1104825102.db2.gz PFHWDPPHGQHYGC-UHFFFAOYSA-N 0 3 319.449 3.062 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001275658496 1104851519 /nfs/dbraw/zinc/85/15/19/1104851519.db2.gz ITJIAXQADPDSEZ-INIZCTEOSA-N 0 3 315.461 3.321 20 30 DGEDHN CCc1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)cc1 ZINC001247305061 1104868723 /nfs/dbraw/zinc/86/87/23/1104868723.db2.gz IBMUPARJIVSHBM-CQSZACIVSA-N 0 3 318.467 3.220 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001275706772 1104873191 /nfs/dbraw/zinc/87/31/91/1104873191.db2.gz LRBNOYBPKCXAIL-WBVHZDCISA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1csc(C)n1 ZINC001275746038 1104891940 /nfs/dbraw/zinc/89/19/40/1104891940.db2.gz HSKWWNMHAFPBMU-GOEBONIOSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001275818058 1104920995 /nfs/dbraw/zinc/92/09/95/1104920995.db2.gz GPDZQRPVAJYIJR-KBPBESRZSA-N 0 3 322.399 3.266 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1C1CC1 ZINC001275819972 1104922098 /nfs/dbraw/zinc/92/20/98/1104922098.db2.gz WWNOCVYVFGRIPE-MRXNPFEDSA-N 0 3 312.457 3.304 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001275987507 1104979088 /nfs/dbraw/zinc/97/90/88/1104979088.db2.gz SPXVGVQGPFXMJE-ISOUWHGUSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCCCNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001247776069 1104979629 /nfs/dbraw/zinc/97/96/29/1104979629.db2.gz OYZHEMDEXOPOCT-KRWDZBQOSA-N 0 3 317.502 3.081 20 30 DGEDHN C=CCCCCCN1CC2(C1)CN(C(=O)Cc1ccsc1)C2 ZINC001276036054 1104993152 /nfs/dbraw/zinc/99/31/52/1104993152.db2.gz NDKODGVAQICZBO-UHFFFAOYSA-N 0 3 318.486 3.181 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC(F)(F)C1)C2 ZINC001095509395 1105056550 /nfs/dbraw/zinc/05/65/50/1105056550.db2.gz ZXYSLTYAQLBBJM-KBXIAJHMSA-N 0 3 312.404 3.110 20 30 DGEDHN CCCC(=O)NC[C@@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC001276277149 1105071489 /nfs/dbraw/zinc/07/14/89/1105071489.db2.gz HMEODFPOFPHSOG-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN CCc1cc(C#N)ccc1CN(C)CCc1noc(C(C)C)n1 ZINC001248748240 1105154467 /nfs/dbraw/zinc/15/44/67/1105154467.db2.gz CFZYSABPYHZAKS-UHFFFAOYSA-N 0 3 312.417 3.302 20 30 DGEDHN N#Cc1ccn2ncc(CN3CC[C@@H](c4ccccc4F)C3)c2c1 ZINC001249106415 1105226560 /nfs/dbraw/zinc/22/65/60/1105226560.db2.gz HESNHRNHTHOZOG-OAHLLOKOSA-N 0 3 320.371 3.335 20 30 DGEDHN N#Cc1ccn2ncc(CN3CC[C@@H](c4cccc(F)c4)C3)c2c1 ZINC001249113255 1105227723 /nfs/dbraw/zinc/22/77/23/1105227723.db2.gz GGPWRLFWBIHDCP-MRXNPFEDSA-N 0 3 320.371 3.335 20 30 DGEDHN N#Cc1ccc(-c2noc([C@@H]3C[C@@H]4C[C@@H]4N3)n2)c2ccccc12 ZINC001249144538 1105232262 /nfs/dbraw/zinc/23/22/62/1105232262.db2.gz DRIVBAPUZVOMPD-UVBJJODRSA-N 0 3 302.337 3.184 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(Cl)ccc3F)no2)CCCN1 ZINC001249352674 1105272034 /nfs/dbraw/zinc/27/20/34/1105272034.db2.gz DXUSOZZPNTUJHX-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN Cc1nnc([C@@H]2CCCN(Cc3cc4ccc(C#N)cc4[nH]3)C2)o1 ZINC001249430558 1105286587 /nfs/dbraw/zinc/28/65/87/1105286587.db2.gz XMSXUHZWPQFACM-OAHLLOKOSA-N 0 3 321.384 3.111 20 30 DGEDHN N#Cc1cccc(N2CCN(Cc3cccc4c3CCC4)CC2)c1 ZINC001249459126 1105291616 /nfs/dbraw/zinc/29/16/16/1105291616.db2.gz HWAXRDORHAFHTN-UHFFFAOYSA-N 0 3 317.436 3.369 20 30 DGEDHN C[C@H](C#N)c1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001249559252 1105314543 /nfs/dbraw/zinc/31/45/43/1105314543.db2.gz QPCCPPCZBWJNDE-DNVCBOLYSA-N 0 3 311.429 3.494 20 30 DGEDHN Cc1cc(C)c(NC2=CC[C@@H](N3CCOCC3)CC2)cc1C#N ZINC001249560526 1105315373 /nfs/dbraw/zinc/31/53/73/1105315373.db2.gz AIXJDZPNPMTVQZ-GOSISDBHSA-N 0 3 311.429 3.356 20 30 DGEDHN Cc1cc(C#N)c(NC2=CC[C@@H](N3CCOCC3)CC2)cc1F ZINC001249561294 1105316459 /nfs/dbraw/zinc/31/64/59/1105316459.db2.gz JQHVFPKQQKPVAY-MRXNPFEDSA-N 0 3 315.392 3.186 20 30 DGEDHN Cc1cc(C#N)c(F)cc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249565742 1105317210 /nfs/dbraw/zinc/31/72/10/1105317210.db2.gz AJHBIRRIOFWSOF-INIZCTEOSA-N 0 3 315.392 3.186 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=C)C)c1ccccc1 ZINC001111443839 1105358437 /nfs/dbraw/zinc/35/84/37/1105358437.db2.gz YGLSDKSJFQQVHP-MKXGPGLRSA-N 0 3 310.441 3.254 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C(C)C)C2 ZINC001097687558 1105428521 /nfs/dbraw/zinc/42/85/21/1105428521.db2.gz OOAOOTIXLMGLMQ-BMFZPTHFSA-N 0 3 301.434 3.049 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001098326824 1105569623 /nfs/dbraw/zinc/56/96/23/1105569623.db2.gz PAKNIOBFULDTPI-UTUOFQBUSA-N 0 3 310.850 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCCC3)C2 ZINC001098325272 1105570090 /nfs/dbraw/zinc/57/00/90/1105570090.db2.gz ISZBGPULWWQSQK-AQNXPRMDSA-N 0 3 324.468 3.477 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1CCC3)C2 ZINC001098484689 1105578439 /nfs/dbraw/zinc/57/84/39/1105578439.db2.gz SYOKABCTEDEXTJ-LZQZEXGQSA-N 0 3 310.441 3.087 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CF)cc1)C2 ZINC001098477536 1105579437 /nfs/dbraw/zinc/57/94/37/1105579437.db2.gz YGCGBDUGZGGKHO-ZACQAIPSSA-N 0 3 302.393 3.067 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)C2 ZINC001098479326 1105579660 /nfs/dbraw/zinc/57/96/60/1105579660.db2.gz BXXZJCQGOGNSPX-XSYGEPLQSA-N 0 3 314.473 3.258 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C)cc2C)C1 ZINC001098777245 1105603095 /nfs/dbraw/zinc/60/30/95/1105603095.db2.gz XSGBXKQJLJDVOT-YJBOKZPZSA-N 0 3 302.418 3.057 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(=O)C(C)(C)C ZINC001098989042 1105624082 /nfs/dbraw/zinc/62/40/82/1105624082.db2.gz UORYRJNKAKTWDN-OAHLLOKOSA-N 0 3 322.493 3.175 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@H]1CNC(=O)C(=O)C(C)(C)C ZINC001098989234 1105624300 /nfs/dbraw/zinc/62/43/00/1105624300.db2.gz VSHOLZKPSCZCJG-HNNXBMFYSA-N 0 3 322.493 3.175 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099069144 1105638761 /nfs/dbraw/zinc/63/87/61/1105638761.db2.gz BMPNSYWQGNBGSG-INIZCTEOSA-N 0 3 304.478 3.219 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001099074643 1105638869 /nfs/dbraw/zinc/63/88/69/1105638869.db2.gz BLVLMPNXSADMFQ-ROPHOZQPSA-N 0 3 324.468 3.255 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001278632679 1105640773 /nfs/dbraw/zinc/64/07/73/1105640773.db2.gz USTWKZQUWJCHOW-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC(C)C)CC1 ZINC001099107329 1105643109 /nfs/dbraw/zinc/64/31/09/1105643109.db2.gz XRFZTPJGIUFUCJ-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](OCC)C(C)C ZINC001099111173 1105643418 /nfs/dbraw/zinc/64/34/18/1105643418.db2.gz UFOIYPUKLDBWTJ-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC001251306524 1105648463 /nfs/dbraw/zinc/64/84/63/1105648463.db2.gz IYWDNBVHGMFKHX-NZSAHSFTSA-N 0 3 318.505 3.156 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001099179257 1105654535 /nfs/dbraw/zinc/65/45/35/1105654535.db2.gz JCRZZZCGSFDVBS-PXNSSMCTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001099181866 1105655062 /nfs/dbraw/zinc/65/50/62/1105655062.db2.gz UVTXBNDDBNIGFL-XSNSTOHYSA-N 0 3 324.468 3.337 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099189769 1105656026 /nfs/dbraw/zinc/65/60/26/1105656026.db2.gz WNUYNRCOYDGZJZ-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)C(F)(F)F ZINC001099209257 1105657827 /nfs/dbraw/zinc/65/78/27/1105657827.db2.gz YSEBYKWMUBFPTG-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001490931684 1105723104 /nfs/dbraw/zinc/72/31/04/1105723104.db2.gz CICZLAXTHMYBBJ-FVQBIDKESA-N 0 3 320.864 3.478 20 30 DGEDHN CC[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491053436 1105743299 /nfs/dbraw/zinc/74/32/99/1105743299.db2.gz VHDKNBWJSBRINN-HAGHYFMRSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC001252124286 1105745592 /nfs/dbraw/zinc/74/55/92/1105745592.db2.gz QKLAGYGIDNMTAA-CABCVRRESA-N 0 3 307.425 3.047 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CC(N2CCC(F)CC2)C1 ZINC001252130152 1105745954 /nfs/dbraw/zinc/74/59/54/1105745954.db2.gz MGJDUDCWVDROMZ-GOSISDBHSA-N 0 3 314.489 3.216 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CC[C@H](Oc2cnccn2)C1 ZINC001252133140 1105747306 /nfs/dbraw/zinc/74/73/06/1105747306.db2.gz MWZMHBPCXKXERU-IRXDYDNUSA-N 0 3 321.465 3.041 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CCC[C@@H](NC(=O)CC)C1 ZINC001252133744 1105747745 /nfs/dbraw/zinc/74/77/45/1105747745.db2.gz RVQAWQNZROTTJC-SJORKVTESA-N 0 3 312.498 3.089 20 30 DGEDHN CCCCCCCC[C@H](O)CNCc1ccc(OC)c(OC)n1 ZINC001252138528 1105748673 /nfs/dbraw/zinc/74/86/73/1105748673.db2.gz DIDHCZMTNILQKX-INIZCTEOSA-N 0 3 324.465 3.300 20 30 DGEDHN CCCCC(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001491139514 1105760962 /nfs/dbraw/zinc/76/09/62/1105760962.db2.gz RMUBQSJPZBFJIR-MRXNPFEDSA-N 0 3 313.445 3.077 20 30 DGEDHN CC(C)(C)C#CCNC[C@@H](O)COc1cccc2ccccc21 ZINC001252398335 1105777214 /nfs/dbraw/zinc/77/72/14/1105777214.db2.gz JDIAUIOXXKLKKC-QGZVFWFLSA-N 0 3 311.425 3.219 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(CC)s2)C1 ZINC001278667852 1105781326 /nfs/dbraw/zinc/78/13/26/1105781326.db2.gz JIEMEWBDNYJUJY-KRWDZBQOSA-N 0 3 306.475 3.328 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cc(C)cc(C)c1 ZINC001491227075 1105783007 /nfs/dbraw/zinc/78/30/07/1105783007.db2.gz ZNWNNDIOUYRIOF-IBGZPJMESA-N 0 3 314.473 3.393 20 30 DGEDHN C=CCOC[C@@H](O)CNCc1c(Cl)cccc1C(F)(F)F ZINC001252486610 1105783953 /nfs/dbraw/zinc/78/39/53/1105783953.db2.gz FQFWGGPHXCQPSU-JTQLQIEISA-N 0 3 323.742 3.012 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CCCF)CCCC1 ZINC001491236721 1105784082 /nfs/dbraw/zinc/78/40/82/1105784082.db2.gz AENDCAJMESOGTE-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CCOC[C@H](O)CNC(c1cccs1)c1cccs1 ZINC001252497939 1105785161 /nfs/dbraw/zinc/78/51/61/1105785161.db2.gz CBUSXKDCMDEXJG-GFCCVEGCSA-N 0 3 309.456 3.052 20 30 DGEDHN C=C[C@@](C)(O)CN[C@@H](C)c1ccc(F)cc1Br ZINC001252578671 1105797439 /nfs/dbraw/zinc/79/74/39/1105797439.db2.gz GDXLTTVKTSXPNA-TVQRCGJNSA-N 0 3 302.187 3.176 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001491287953 1105798894 /nfs/dbraw/zinc/79/88/94/1105798894.db2.gz QJXIRIBTCHLYOB-FUHWJXTLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCC[C@H](O)CN1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001252601965 1105800491 /nfs/dbraw/zinc/80/04/91/1105800491.db2.gz HRJRKUWXJFMTKY-AWEZNQCLSA-N 0 3 315.335 3.270 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(Cl)cc(OC)c1OC ZINC001252620296 1105805997 /nfs/dbraw/zinc/80/59/97/1105805997.db2.gz TULUCDDNJYYKQY-YPMHNXCESA-N 0 3 313.825 3.335 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001491452960 1105828906 /nfs/dbraw/zinc/82/89/06/1105828906.db2.gz SYWKKNNJDBJFEJ-CHWSQXEVSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001100879817 1105860578 /nfs/dbraw/zinc/86/05/78/1105860578.db2.gz VOIIDICZIOBWHT-HLIUYOAVSA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001101008630 1105874427 /nfs/dbraw/zinc/87/44/27/1105874427.db2.gz NTMHUONXJXYMSH-FUJMWEONSA-N 0 3 324.827 3.166 20 30 DGEDHN CCCC[C@H](CC)COC[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC001253006312 1105875269 /nfs/dbraw/zinc/87/52/69/1105875269.db2.gz IULPFAATMQEJQE-RCCFBDPRSA-N 0 3 310.482 3.206 20 30 DGEDHN CCCC[C@@H](CC)COC[C@H](O)CNCc1csc(C#N)c1 ZINC001253027976 1105879335 /nfs/dbraw/zinc/87/93/35/1105879335.db2.gz APVRDPIZBACQOP-GDBMZVCRSA-N 0 3 324.490 3.303 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001101249666 1105903752 /nfs/dbraw/zinc/90/37/52/1105903752.db2.gz ICLZSIVLSVBXEJ-AOIWGVFYSA-N 0 3 322.468 3.283 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1cccc2c1OCO2 ZINC001253248756 1105911127 /nfs/dbraw/zinc/91/11/27/1105911127.db2.gz BHWHLAUTHRQKRS-INIZCTEOSA-N 0 3 305.418 3.392 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H](CO)c1cccc(F)c1 ZINC001253251180 1105912056 /nfs/dbraw/zinc/91/20/56/1105912056.db2.gz HNAKETKZOOTWAJ-ZWKOTPCHSA-N 0 3 309.425 3.336 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H](CO)c1cccc(F)c1 ZINC001253251177 1105912160 /nfs/dbraw/zinc/91/21/60/1105912160.db2.gz HNAKETKZOOTWAJ-QZTJIDSGSA-N 0 3 309.425 3.336 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CCCCCC)C[C@]2(C)C1 ZINC001101426644 1105918450 /nfs/dbraw/zinc/91/84/50/1105918450.db2.gz QEYBUFSROASNBC-GGPKGHCWSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CCCCCC)C[C@]2(C)C1 ZINC001101426645 1105918685 /nfs/dbraw/zinc/91/86/85/1105918685.db2.gz QEYBUFSROASNBC-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@](C)(CC)CCCCC)C[C@]2(C)C1 ZINC001101480259 1105921153 /nfs/dbraw/zinc/92/11/53/1105921153.db2.gz IMPIAWUZTJUACI-HOJAQTOUSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCCCCCC[C@@H](O)CNCC(=O)NCC ZINC001253565622 1105960072 /nfs/dbraw/zinc/96/00/72/1105960072.db2.gz QUCWVLKUQWKFDL-QGZVFWFLSA-N 0 3 314.514 3.384 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC001253976510 1106006131 /nfs/dbraw/zinc/00/61/31/1106006131.db2.gz WPZIVGGHNYXAML-ZDUSSCGKSA-N 0 3 306.369 3.407 20 30 DGEDHN N#CC1(c2ccc(F)cc2)CCC(N2CCOC3(CC3)C2)CC1 ZINC001254359672 1106060226 /nfs/dbraw/zinc/06/02/26/1106060226.db2.gz NGWONOOMFMIALU-UHFFFAOYSA-N 0 3 314.404 3.394 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C)c2)C1 ZINC001102646905 1106088052 /nfs/dbraw/zinc/08/80/52/1106088052.db2.gz LUIYABLFEGIEEG-RHSMWYFYSA-N 0 3 320.864 3.435 20 30 DGEDHN C=CCCC(=O)NCC[C@@H]1CN([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001102761525 1106102644 /nfs/dbraw/zinc/10/26/44/1106102644.db2.gz BQTDKMCXDKZJNW-FVQBIDKESA-N 0 3 319.449 3.084 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]12CCCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254660465 1106126586 /nfs/dbraw/zinc/12/65/86/1106126586.db2.gz IFWBZLRWSQHVGV-VKJFTORMSA-N 0 3 319.449 3.154 20 30 DGEDHN COc1cccc(C(=O)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC001254660514 1106126797 /nfs/dbraw/zinc/12/67/97/1106126797.db2.gz JANGPGSSVONHGY-WMLDXEAASA-N 0 3 312.413 3.282 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001254785721 1106141761 /nfs/dbraw/zinc/14/17/61/1106141761.db2.gz LBFCCZQBYHBULW-YOEHRIQHSA-N 0 3 319.449 3.012 20 30 DGEDHN N#CCN(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001255119574 1106183761 /nfs/dbraw/zinc/18/37/61/1106183761.db2.gz VYUGUNQCEQHGND-FQEVSTJZSA-N 0 3 305.425 3.287 20 30 DGEDHN CC[C@@H](CC#N)NCC1(Cc2ccccc2F)CCOCC1 ZINC001255160032 1106194199 /nfs/dbraw/zinc/19/41/99/1106194199.db2.gz FGTQPVCXZVYYPA-INIZCTEOSA-N 0 3 304.409 3.447 20 30 DGEDHN C[C@H](CSc1ccc(F)cc1)NC(=N)c1ccc(F)cn1 ZINC001255728451 1106303156 /nfs/dbraw/zinc/30/31/56/1106303156.db2.gz UBPCCYQBRPEZCU-SNVBAGLBSA-N 0 3 307.369 3.246 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(C)c(F)c1)C(C)C ZINC001278912750 1106372812 /nfs/dbraw/zinc/37/28/12/1106372812.db2.gz XFWFEECBFNQUPN-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C=CCN(C)CCN(C(=O)COc1cccc(Cl)c1)C(C)C ZINC001278929895 1106406846 /nfs/dbraw/zinc/40/68/46/1106406846.db2.gz NYQHOTRSGXWDSA-UHFFFAOYSA-N 0 3 324.852 3.074 20 30 DGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C1CCC(C#N)CC1 ZINC001256964500 1106517105 /nfs/dbraw/zinc/51/71/05/1106517105.db2.gz WQDOADVFZHKZIR-PJPHBNEVSA-N 0 3 321.465 3.398 20 30 DGEDHN N#CC1CCC(N2CCN(c3ccc(F)c(F)c3)CC2)CC1 ZINC001256964944 1106517123 /nfs/dbraw/zinc/51/71/23/1106517123.db2.gz IWMJKWUDIGDIJZ-UHFFFAOYSA-N 0 3 305.372 3.169 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC2(CCC(NCCC#N)CC2)C1 ZINC001257767395 1106627608 /nfs/dbraw/zinc/62/76/08/1106627608.db2.gz LGSYUUXYXIIMKI-UHFFFAOYSA-N 0 3 321.465 3.450 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC001316924011 1106768773 /nfs/dbraw/zinc/76/87/73/1106768773.db2.gz JMBJIJZLEWQHGK-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN CN(C(=O)C#CC1CC1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001316930231 1106776655 /nfs/dbraw/zinc/77/66/55/1106776655.db2.gz AVLVCLDFNQKCOT-YVMONPNESA-N 0 3 322.452 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001316946812 1106801899 /nfs/dbraw/zinc/80/18/99/1106801899.db2.gz DVFUPPIYQHCPIL-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001316948668 1106809274 /nfs/dbraw/zinc/80/92/74/1106809274.db2.gz HITCGHJGTYZJRI-CVEARBPZSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001316950910 1106815732 /nfs/dbraw/zinc/81/57/32/1106815732.db2.gz FIAADCOQYMVEIM-AEFFLSMTSA-N 0 3 318.436 3.287 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CC(CC#N)C2)CC1(C)C ZINC001258557582 1106822975 /nfs/dbraw/zinc/82/29/75/1106822975.db2.gz RWPTYELGULVYSW-CQSZACIVSA-N 0 3 307.438 3.010 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001316976814 1106835639 /nfs/dbraw/zinc/83/56/39/1106835639.db2.gz UYPSZHWWMZZOQD-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1)OCC ZINC001316978793 1106839446 /nfs/dbraw/zinc/83/94/46/1106839446.db2.gz DZUOQKYSQAGCPY-MSOLQXFVSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@H]1CCCc2ccccc21 ZINC001320072539 1106844625 /nfs/dbraw/zinc/84/46/25/1106844625.db2.gz LUNAYSOHIDDVCD-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001316989831 1106862881 /nfs/dbraw/zinc/86/28/81/1106862881.db2.gz XWYYKSFTXXMAMA-IAGOWNOFSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCCCC(C)C)CC1 ZINC001317001286 1106882882 /nfs/dbraw/zinc/88/28/82/1106882882.db2.gz KVHXVQDBUJALSH-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001317003416 1106884083 /nfs/dbraw/zinc/88/40/83/1106884083.db2.gz VSHUUBBTJGYQKS-GFCCVEGCSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001317003102 1106884923 /nfs/dbraw/zinc/88/49/23/1106884923.db2.gz XIJRZSBNBUKFSL-AEFFLSMTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001317003606 1106886787 /nfs/dbraw/zinc/88/67/87/1106886787.db2.gz XRJMJDRXEAZMFJ-VZLFFANISA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc[nH]1 ZINC001317040854 1106940080 /nfs/dbraw/zinc/94/00/80/1106940080.db2.gz AUGRCXDKDFYXCD-IYBDPMFKSA-N 0 3 301.434 3.050 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001317047847 1106949143 /nfs/dbraw/zinc/94/91/43/1106949143.db2.gz IBSWZNPCBFVMOW-GASCZTMLSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cc[nH]c21 ZINC001317047959 1106949815 /nfs/dbraw/zinc/94/98/15/1106949815.db2.gz AISYBGDNHXYACS-CALCHBBNSA-N 0 3 323.440 3.423 20 30 DGEDHN C=C[C@@H](COC)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC001320297969 1106950714 /nfs/dbraw/zinc/95/07/14/1106950714.db2.gz CAGAYIRJGQFYIL-IBGZPJMESA-N 0 3 322.408 3.428 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccccc1CC ZINC001320463291 1107013454 /nfs/dbraw/zinc/01/34/54/1107013454.db2.gz GOSZLRBYUZQASY-CQSZACIVSA-N 0 3 308.853 3.028 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(Cl)cc1C ZINC001320534254 1107044419 /nfs/dbraw/zinc/04/44/19/1107044419.db2.gz IXBSDJGXEKOITB-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(F)ccc1Cl ZINC001320556664 1107053643 /nfs/dbraw/zinc/05/36/43/1107053643.db2.gz NGMQBDQWDGTYHA-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001317156250 1107061062 /nfs/dbraw/zinc/06/10/62/1107061062.db2.gz SWMKMTQXKINIHJ-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1scnc1C ZINC001317165101 1107068245 /nfs/dbraw/zinc/06/82/45/1107068245.db2.gz GHAJOHGFHLGKLW-CQSZACIVSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC001320627194 1107077784 /nfs/dbraw/zinc/07/77/84/1107077784.db2.gz KRLGIWUSJQEGJA-LBPRGKRZSA-N 0 3 306.793 3.283 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CC(C(C)(C)C)C1 ZINC001320652653 1107088825 /nfs/dbraw/zinc/08/88/25/1107088825.db2.gz NVOYJTGEFPWZDL-HSBZDZAISA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001317176147 1107092602 /nfs/dbraw/zinc/09/26/02/1107092602.db2.gz JWGDMKWNFWINFO-JKSUJKDBSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001317264484 1107185221 /nfs/dbraw/zinc/18/52/21/1107185221.db2.gz IPUSMOLHZBKOOG-SJKOYZFVSA-N 0 3 310.388 3.161 20 30 DGEDHN CC(C)CCCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001317272212 1107195421 /nfs/dbraw/zinc/19/54/21/1107195421.db2.gz SWEKFRMDERZDTG-ZDUSSCGKSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001317304829 1107223500 /nfs/dbraw/zinc/22/35/00/1107223500.db2.gz MPVXADOPATYUTN-RDJZCZTQSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001317340886 1107244077 /nfs/dbraw/zinc/24/40/77/1107244077.db2.gz NTSFLWQTBCHBTN-FMNNIJNLSA-N 0 3 319.276 3.346 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCCC2CCCCC2)C1 ZINC001317380471 1107286625 /nfs/dbraw/zinc/28/66/25/1107286625.db2.gz BUYLVLJAJNPTMU-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC001317381760 1107290365 /nfs/dbraw/zinc/29/03/65/1107290365.db2.gz QUFMNUUTQQCASM-ZDUSSCGKSA-N 0 3 322.811 3.039 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001317383609 1107293051 /nfs/dbraw/zinc/29/30/51/1107293051.db2.gz NLYFTCZWDUHXQI-DLBZAZTESA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001317384177 1107295080 /nfs/dbraw/zinc/29/50/80/1107295080.db2.gz LPDHEYHJSNUFMM-UXHICEINSA-N 0 3 324.468 3.292 20 30 DGEDHN CC(C(=O)NCC[C@@H](C)NCc1ccccc1C#N)=C1CCC1 ZINC001317395062 1107311603 /nfs/dbraw/zinc/31/16/03/1107311603.db2.gz SLJIWUQVPKQWTJ-CQSZACIVSA-N 0 3 311.429 3.043 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001317405370 1107324989 /nfs/dbraw/zinc/32/49/89/1107324989.db2.gz JGOPTWSZPRHHFW-DNVCBOLYSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)cc1Cl ZINC001317408657 1107328178 /nfs/dbraw/zinc/32/81/78/1107328178.db2.gz LXJFRRBHCHGDBN-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2[nH]ccc21 ZINC001317409447 1107329481 /nfs/dbraw/zinc/32/94/81/1107329481.db2.gz QQUJJGZDWLBMKX-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@H]1CCCN1Cc1ccns1 ZINC001317424160 1107351350 /nfs/dbraw/zinc/35/13/50/1107351350.db2.gz RHWYQTATTFWUMZ-HNNXBMFYSA-N 0 3 321.490 3.360 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2cccc3cccnc32)C1 ZINC001317460511 1107412656 /nfs/dbraw/zinc/41/26/56/1107412656.db2.gz YPWAPWICERMASH-UHFFFAOYSA-N 0 3 323.440 3.139 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001317538681 1107500582 /nfs/dbraw/zinc/50/05/82/1107500582.db2.gz YORDFSNGBDXQLS-LRCYMOHKSA-N 0 3 323.440 3.019 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)C)Cc1ccc(Cl)cc1 ZINC001317542258 1107507164 /nfs/dbraw/zinc/50/71/64/1107507164.db2.gz QTUBIXQZPCXNGB-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CC1CCCC1 ZINC001322108580 1107515947 /nfs/dbraw/zinc/51/59/47/1107515947.db2.gz IEFUGSLKIDKCNV-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(CCNC(=O)c1ccccc1-c1ccncc1)C1CC1 ZINC001317553336 1107529964 /nfs/dbraw/zinc/52/99/64/1107529964.db2.gz IZOXUOJHHJPNCM-UHFFFAOYSA-N 0 3 321.424 3.129 20 30 DGEDHN C=CCN(CCNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC001317560360 1107540805 /nfs/dbraw/zinc/54/08/05/1107540805.db2.gz ZTNFEKYQYLLWTM-UHFFFAOYSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C1CC1 ZINC001317560849 1107544859 /nfs/dbraw/zinc/54/48/59/1107544859.db2.gz CLNURSVZYVEIOU-GOSISDBHSA-N 0 3 318.436 3.332 20 30 DGEDHN CCOc1ccc(CNCc2cccc(OCC#N)c2)cc1F ZINC001322173894 1107554917 /nfs/dbraw/zinc/55/49/17/1107554917.db2.gz HMLFNWUCISSVOT-UHFFFAOYSA-N 0 3 314.360 3.417 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001317585908 1107555194 /nfs/dbraw/zinc/55/51/94/1107555194.db2.gz PDRIJVVNIAVYNH-CYBMUJFWSA-N 0 3 324.827 3.248 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CCc1ccncc1)c1ccccc1 ZINC001317721257 1107621772 /nfs/dbraw/zinc/62/17/72/1107621772.db2.gz SNSDUHRZIFJBMR-LJQANCHMSA-N 0 3 323.440 3.037 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc2cnccc2o1)c1ccccc1 ZINC001317720527 1107621945 /nfs/dbraw/zinc/62/19/45/1107621945.db2.gz HBQHQLDZUDLRMS-INIZCTEOSA-N 0 3 321.380 3.075 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001317722756 1107622964 /nfs/dbraw/zinc/62/29/64/1107622964.db2.gz ZMQOEEZRZMGGAT-JKSUJKDBSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001322307920 1107623236 /nfs/dbraw/zinc/62/32/36/1107623236.db2.gz SVYNKRJHEVPRPU-RHSMWYFYSA-N 0 3 306.425 3.188 20 30 DGEDHN C=CCN[C@H](CNC(=O)COc1cccc(C)c1)c1ccccc1 ZINC001317727666 1107626347 /nfs/dbraw/zinc/62/63/47/1107626347.db2.gz VYXXWWYHEIKCMY-LJQANCHMSA-N 0 3 324.424 3.007 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C(C)C)no2)C1 ZINC001317767964 1107651570 /nfs/dbraw/zinc/65/15/70/1107651570.db2.gz XPIYGVNKNBVTSN-OAHLLOKOSA-N 0 3 319.449 3.301 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001323047779 1107816252 /nfs/dbraw/zinc/81/62/52/1107816252.db2.gz PETSTGMKPSWZOD-INIZCTEOSA-N 0 3 304.409 3.022 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001318123507 1107849258 /nfs/dbraw/zinc/84/92/58/1107849258.db2.gz YFBWLFLUSLUIIZ-UHFFFAOYSA-N 0 3 312.457 3.311 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001323168273 1107856784 /nfs/dbraw/zinc/85/67/84/1107856784.db2.gz KZPUNXKROFCMRW-KRWDZBQOSA-N 0 3 304.409 3.376 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001318185600 1107883754 /nfs/dbraw/zinc/88/37/54/1107883754.db2.gz ZOGHLPKDYPYUGE-ILXRZTDVSA-N 0 3 302.393 3.079 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1 ZINC001318184181 1107885593 /nfs/dbraw/zinc/88/55/93/1107885593.db2.gz HFKYVTJNJASULS-IRXDYDNUSA-N 0 3 318.486 3.322 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1CC1CCC(C)(C)CC1 ZINC001323225200 1107890488 /nfs/dbraw/zinc/89/04/88/1107890488.db2.gz GTIRJLUKUZASEZ-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(COC)CCCCC1 ZINC001323245900 1107902074 /nfs/dbraw/zinc/90/20/74/1107902074.db2.gz IBESJXSNTWFBCB-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2c1 ZINC001318214503 1107903290 /nfs/dbraw/zinc/90/32/90/1107903290.db2.gz GGLVGFLOZFEXJJ-WBAXXEDZSA-N 0 3 323.440 3.421 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC001318223980 1107904760 /nfs/dbraw/zinc/90/47/60/1107904760.db2.gz GTYPOVUESGJCEI-SQNIBIBYSA-N 0 3 322.493 3.059 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001323287387 1107917571 /nfs/dbraw/zinc/91/75/71/1107917571.db2.gz PQIVTRKUDALDDS-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001318276234 1107925670 /nfs/dbraw/zinc/92/56/70/1107925670.db2.gz KSCISVWUMWMLPO-AZUAARDMSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN2CCCC=C)CCCCC1 ZINC001323371595 1107953958 /nfs/dbraw/zinc/95/39/58/1107953958.db2.gz NKELRMRZIXCSBJ-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(OC)cc1)C1CCC1 ZINC001263221226 1107977729 /nfs/dbraw/zinc/97/77/29/1107977729.db2.gz IROYKHUAFXIICP-CVEARBPZSA-N 0 3 322.836 3.123 20 30 DGEDHN C#CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])CC1CC1 ZINC001323452240 1107979516 /nfs/dbraw/zinc/97/95/16/1107979516.db2.gz MTHPBFHHOLWMFE-UHFFFAOYSA-N 0 3 308.219 3.308 20 30 DGEDHN C#CC[N@H+](Cc1cc(Br)cc(C)c1[O-])CC1CC1 ZINC001323452240 1107979525 /nfs/dbraw/zinc/97/95/25/1107979525.db2.gz MTHPBFHHOLWMFE-UHFFFAOYSA-N 0 3 308.219 3.308 20 30 DGEDHN CCC[C@@](C)(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC001263246228 1107987205 /nfs/dbraw/zinc/98/72/05/1107987205.db2.gz JUJMILHTGXMRFR-FUHWJXTLSA-N 0 3 301.434 3.229 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC001318422354 1107993476 /nfs/dbraw/zinc/99/34/76/1107993476.db2.gz HXNUPKWSIRLNSG-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN CC(C)(Oc1ccc(F)cc1)C(=O)C(C#N)c1cccc(F)n1 ZINC001263378145 1108031999 /nfs/dbraw/zinc/03/19/99/1108031999.db2.gz WXGIDKLVLFRWSW-CYBMUJFWSA-N 0 3 316.307 3.394 20 30 DGEDHN N#CCOc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC001318522214 1108077089 /nfs/dbraw/zinc/07/70/89/1108077089.db2.gz YAWWGULQPDKMIV-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001323872217 1108108776 /nfs/dbraw/zinc/10/87/76/1108108776.db2.gz IQORLPBUEKJDLW-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001263616944 1108111551 /nfs/dbraw/zinc/11/15/51/1108111551.db2.gz OFOYAJHDSDCFKC-YNEHKIRRSA-N 0 3 315.323 3.161 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccncc2Cl)C[C@H]1C ZINC001324045973 1108158232 /nfs/dbraw/zinc/15/82/32/1108158232.db2.gz AROMDAAFJOTTKU-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN Nc1ccc(CN=Nc2nccnc2C2CCC2)cc1Cl ZINC001324051090 1108161124 /nfs/dbraw/zinc/16/11/24/1108161124.db2.gz NGVNJKRSPKVNKN-UHFFFAOYSA-N 0 3 301.781 3.426 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001263818837 1108230826 /nfs/dbraw/zinc/23/08/26/1108230826.db2.gz HMECKCHVECSQMF-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC(C)(F)F)C1 ZINC001318831435 1108211452 /nfs/dbraw/zinc/21/14/52/1108211452.db2.gz QVSBPHDZMOTYDQ-GFCCVEGCSA-N 0 3 308.800 3.003 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001263812108 1108219792 /nfs/dbraw/zinc/21/97/92/1108219792.db2.gz HPIOVWHEQFQQNA-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001263823809 1108235690 /nfs/dbraw/zinc/23/56/90/1108235690.db2.gz XQUANMOYSFTMAV-KBPBESRZSA-N 0 3 321.490 3.207 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H](CCC)C(C)C)cc1 ZINC001319000292 1108270000 /nfs/dbraw/zinc/27/00/00/1108270000.db2.gz MQPRDAAJFCAQMN-GOSISDBHSA-N 0 3 300.446 3.098 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC001324376151 1108270134 /nfs/dbraw/zinc/27/01/34/1108270134.db2.gz BNRJOSJVBUAJHS-KRWDZBQOSA-N 0 3 324.468 3.159 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001263880586 1108281645 /nfs/dbraw/zinc/28/16/45/1108281645.db2.gz STQCQNPBZLWRPV-TUUVXOQKSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2nc(C)c(C)s2)C1 ZINC001263893973 1108287458 /nfs/dbraw/zinc/28/74/58/1108287458.db2.gz OWZJKFXQOVXPES-LSDHHAIUSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCCCC(=O)N[C@H](CNCC#C)c1ccc2ccccc2c1 ZINC001324441908 1108290033 /nfs/dbraw/zinc/29/00/33/1108290033.db2.gz SDDVETXJCCZYCS-HXUWFJFHSA-N 0 3 318.420 3.023 20 30 DGEDHN C/C=C(/C)C(=O)N1CC[C@@H](C)C[C@H]1CNCC#Cc1ccccc1 ZINC001263983906 1108324886 /nfs/dbraw/zinc/32/48/86/1108324886.db2.gz FUAZRQNFHKLPRG-GMIABZBVSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H]1CC ZINC001264066386 1108363748 /nfs/dbraw/zinc/36/37/48/1108363748.db2.gz JFXPYGRXEBMDIB-NWDGAFQWSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC001264084291 1108367599 /nfs/dbraw/zinc/36/75/99/1108367599.db2.gz HBIGQZOZDXQXQX-SJORKVTESA-N 0 3 316.420 3.072 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H](CC)CCCC)C[C@@H]2C1 ZINC001264093221 1108370682 /nfs/dbraw/zinc/37/06/82/1108370682.db2.gz NTZWYPLYEOLNLT-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001264112843 1108377106 /nfs/dbraw/zinc/37/71/06/1108377106.db2.gz LJEOEGXIUHTYJX-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCc2cc(Cl)cs2)C1 ZINC001324657744 1108407569 /nfs/dbraw/zinc/40/75/69/1108407569.db2.gz RRNBYZBDIHJWOV-HNNXBMFYSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001324660202 1108409764 /nfs/dbraw/zinc/40/97/64/1108409764.db2.gz FWBHCBDJADGBFC-LJQANCHMSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccccc21 ZINC001264182904 1108420059 /nfs/dbraw/zinc/42/00/59/1108420059.db2.gz AFVPXIZRELFWGX-HNNXBMFYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC001264183989 1108420398 /nfs/dbraw/zinc/42/03/98/1108420398.db2.gz AHQHMDCAXZCCSS-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cnc(C)o2)CC(C)(C)C1 ZINC001264193207 1108428593 /nfs/dbraw/zinc/42/85/93/1108428593.db2.gz MWUXDCQOSRSERV-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@](C)(F)CCCC)CC(C)(C)C1 ZINC001264194665 1108428981 /nfs/dbraw/zinc/42/89/81/1108428981.db2.gz DDTDKMGUGOYGJO-MAUKXSAKSA-N 0 3 310.457 3.145 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319429521 1108462563 /nfs/dbraw/zinc/46/25/63/1108462563.db2.gz IKYFTCFLSCVQIV-MSOLQXFVSA-N 0 3 314.473 3.301 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)/C=C/C(C)(C)C ZINC001319437769 1108466863 /nfs/dbraw/zinc/46/68/63/1108466863.db2.gz WHNNXRRJFIMRFP-CLVCIHKQSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001264372378 1108484254 /nfs/dbraw/zinc/48/42/54/1108484254.db2.gz DONDFYXFHOKQTI-FUHWJXTLSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(c2ccccc2)CC1 ZINC001264378611 1108491041 /nfs/dbraw/zinc/49/10/41/1108491041.db2.gz NHCKSWCRNHYYHD-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001264378790 1108491270 /nfs/dbraw/zinc/49/12/70/1108491270.db2.gz QZBPKBTVRMZKTD-WFASDCNBSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001264378594 1108491956 /nfs/dbraw/zinc/49/19/56/1108491956.db2.gz MXRTUPYTORYQRM-LBPRGKRZSA-N 0 3 312.360 3.330 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001264382281 1108496128 /nfs/dbraw/zinc/49/61/28/1108496128.db2.gz IKYPARUQONOPMU-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccsc2)C1 ZINC001324945166 1108527515 /nfs/dbraw/zinc/52/75/15/1108527515.db2.gz WSBBOZGISYKJPD-QGZVFWFLSA-N 0 3 306.475 3.085 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001264446565 1108538808 /nfs/dbraw/zinc/53/88/08/1108538808.db2.gz CTFIZXKALRXQBG-YZGWKJHDSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001324971176 1108541564 /nfs/dbraw/zinc/54/15/64/1108541564.db2.gz FOVKVTZXYSIGMQ-LPHOPBHVSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cccnc2)CCCC1 ZINC001319597506 1108546535 /nfs/dbraw/zinc/54/65/35/1108546535.db2.gz SZSLROBEPCZBGC-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2coc3ccccc23)C1 ZINC001324983679 1108550074 /nfs/dbraw/zinc/55/00/74/1108550074.db2.gz OEUYVHLBPRAZSL-LJQANCHMSA-N 0 3 312.413 3.451 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)C)C(C)(C)[C@@H]21 ZINC001264586945 1108581816 /nfs/dbraw/zinc/58/18/16/1108581816.db2.gz VZFFYSDYEQCBNY-BHIYHBOVSA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC3CCC3)C(C)(C)[C@@H]21 ZINC001264587209 1108582081 /nfs/dbraw/zinc/58/20/81/1108582081.db2.gz YRSCZHVHVKRWNH-BHIYHBOVSA-N 0 3 316.489 3.195 20 30 DGEDHN CN(Cc1cc2ccccc2[nH]1)C[C@@H](O)c1ccc(C#N)cc1 ZINC001319722397 1108609320 /nfs/dbraw/zinc/60/93/20/1108609320.db2.gz WITQTSMKQQSCLY-LJQANCHMSA-N 0 3 305.381 3.205 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1occc1C ZINC001319728333 1108613750 /nfs/dbraw/zinc/61/37/50/1108613750.db2.gz UKKKOWUXIMAILX-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001264693664 1108622816 /nfs/dbraw/zinc/62/28/16/1108622816.db2.gz SZGMTMMBRASMHG-PBHICJAKSA-N 0 3 304.409 3.201 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1CC ZINC001325367791 1108637054 /nfs/dbraw/zinc/63/70/54/1108637054.db2.gz ZJKVQZBOBKRWOE-ROUUACIJSA-N 0 3 318.436 3.013 20 30 DGEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)CCCC)C2 ZINC001264746873 1108645403 /nfs/dbraw/zinc/64/54/03/1108645403.db2.gz IKTMIMIVUBOTQA-UHFFFAOYSA-N 0 3 321.490 3.274 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc2cnccc21 ZINC001264745854 1108645538 /nfs/dbraw/zinc/64/55/38/1108645538.db2.gz XZZODDJKQHWULZ-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCc1ccoc1 ZINC001265084088 1108726838 /nfs/dbraw/zinc/72/68/38/1108726838.db2.gz XFIIWFKEERBTCI-HOCLYGCPSA-N 0 3 324.852 3.324 20 30 DGEDHN CCN(CCCNC(=O)C1CCCC1)Cc1ccc(C#N)s1 ZINC001265096973 1108733117 /nfs/dbraw/zinc/73/31/17/1108733117.db2.gz VLBRYUXKOALZOA-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccccc1CC(C)C)C1CC1 ZINC001265184300 1108763316 /nfs/dbraw/zinc/76/33/16/1108763316.db2.gz YCQBTFPLDTXSAU-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001265299798 1108812016 /nfs/dbraw/zinc/81/20/16/1108812016.db2.gz UNDAJZGCFREKGY-GOSISDBHSA-N 0 3 323.440 3.052 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001265301154 1108813493 /nfs/dbraw/zinc/81/34/93/1108813493.db2.gz FGBPPDOOGYKNAK-IEBWSBKVSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001265305666 1108817086 /nfs/dbraw/zinc/81/70/86/1108817086.db2.gz BGYAXVSMOJWDRM-QZTJIDSGSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)cc(C)n2)CC1 ZINC001265340097 1108833352 /nfs/dbraw/zinc/83/33/52/1108833352.db2.gz FNVADWSCYCVOMM-UHFFFAOYSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@H]1C ZINC001265406789 1108865088 /nfs/dbraw/zinc/86/50/88/1108865088.db2.gz GFGMGHZKMKYBSJ-TVFCKZIOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(F)c1 ZINC001265408439 1108865195 /nfs/dbraw/zinc/86/51/95/1108865195.db2.gz HYWFCNNZZNTMII-GASCZTMLSA-N 0 3 320.383 3.220 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001265411552 1108866274 /nfs/dbraw/zinc/86/62/74/1108866274.db2.gz NPUGWCRWASCUSW-XWTMOSNGSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCC(C)C ZINC001265416290 1108867076 /nfs/dbraw/zinc/86/70/76/1108867076.db2.gz VDEKUULXSQLZNE-KURKYZTESA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001265432579 1108870304 /nfs/dbraw/zinc/87/03/04/1108870304.db2.gz RVWWKZDFYMQTGB-LBPRGKRZSA-N 0 3 312.866 3.448 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001265505981 1108893080 /nfs/dbraw/zinc/89/30/80/1108893080.db2.gz IJRNHQKRJOBRJS-RCBQFDQVSA-N 0 3 306.837 3.170 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001265655294 1108953759 /nfs/dbraw/zinc/95/37/59/1108953759.db2.gz DXPVNOFHWHTERB-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001265658208 1108954077 /nfs/dbraw/zinc/95/40/77/1108954077.db2.gz UBRUPGLZJHALRF-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCc1cncc(F)c1 ZINC001265671484 1108960375 /nfs/dbraw/zinc/96/03/75/1108960375.db2.gz JCLJOGKKLPGQLP-KRWDZBQOSA-N 0 3 319.424 3.048 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC001265940127 1109047561 /nfs/dbraw/zinc/04/75/61/1109047561.db2.gz LGGGHXJVMAMSIN-IBGZPJMESA-N 0 3 310.441 3.172 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@H](CC)c1ccccc1 ZINC001265952403 1109049978 /nfs/dbraw/zinc/04/99/78/1109049978.db2.gz LDTWBYHGLYSCMF-KRWDZBQOSA-N 0 3 300.446 3.032 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001265988970 1109057629 /nfs/dbraw/zinc/05/76/29/1109057629.db2.gz WKZGZSDVRMFOKF-HOCLYGCPSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001266169787 1109113839 /nfs/dbraw/zinc/11/38/39/1109113839.db2.gz HKJSDYAEYDTVMD-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/13/78/50/1109137850.db2.gz FGJFNKZTXUUALP-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)CCC ZINC001279298203 1109146146 /nfs/dbraw/zinc/14/61/46/1109146146.db2.gz ZKPSJEAVOSLQRM-KRWDZBQOSA-N 0 3 300.446 3.064 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001279311103 1109146755 /nfs/dbraw/zinc/14/67/55/1109146755.db2.gz GGBJVGOOYKUTTJ-AABGKKOBSA-N 0 3 324.468 3.064 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCCCCC ZINC001279589234 1109157191 /nfs/dbraw/zinc/15/71/91/1109157191.db2.gz WRPRHEVQELSEEH-QZTJIDSGSA-N 0 3 304.478 3.436 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2c(C)coc2C)c(F)c1 ZINC001279709967 1109160870 /nfs/dbraw/zinc/16/08/70/1109160870.db2.gz LCDVJCRMFQDZNJ-UHFFFAOYSA-N 0 3 316.376 3.241 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CC=CCC2)c(F)c1 ZINC001279703649 1109161037 /nfs/dbraw/zinc/16/10/37/1109161037.db2.gz KDKPBNZWXLLUFA-OAHLLOKOSA-N 0 3 302.393 3.074 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001280482883 1109211054 /nfs/dbraw/zinc/21/10/54/1109211054.db2.gz DSVQXNQVBQICAJ-UHFFFAOYSA-N 0 3 306.475 3.479 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cccnc2C)CCC1 ZINC001280497757 1109214139 /nfs/dbraw/zinc/21/41/39/1109214139.db2.gz VOYPOIJQRQLWIZ-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCNC1(CNC(=O)CCCc2sccc2C)CCC1 ZINC001280533695 1109220127 /nfs/dbraw/zinc/22/01/27/1109220127.db2.gz FEPBLZBPRULHMO-UHFFFAOYSA-N 0 3 318.486 3.031 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccccc1Cl ZINC001316604439 1109223773 /nfs/dbraw/zinc/22/37/73/1109223773.db2.gz GPMBJLBPBGTPEX-AWEZNQCLSA-N 0 3 306.837 3.453 20 30 DGEDHN CN(CCCN(C)C(=O)C#CC(C)(C)C)Cc1ccsc1 ZINC001280813141 1109258645 /nfs/dbraw/zinc/25/86/45/1109258645.db2.gz AYRRISXBVAGITG-UHFFFAOYSA-N 0 3 306.475 3.078 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)C=C(C)C ZINC001281062122 1109299217 /nfs/dbraw/zinc/29/92/17/1109299217.db2.gz CTCNBVVTBHUPOJ-IBGZPJMESA-N 0 3 312.457 3.462 20 30 DGEDHN C[C@@H]1CN(C(=O)CCC2CCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001281390217 1109344533 /nfs/dbraw/zinc/34/45/33/1109344533.db2.gz ZVMPMHYHXRYOQD-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001281431198 1109352034 /nfs/dbraw/zinc/35/20/34/1109352034.db2.gz WSRYONFDWWWLEF-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001281713961 1109399128 /nfs/dbraw/zinc/39/91/28/1109399128.db2.gz KQLGFQSENSCNKP-ZDUSSCGKSA-N 0 3 323.868 3.230 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CCCC)CC1 ZINC001281825869 1109409595 /nfs/dbraw/zinc/40/95/95/1109409595.db2.gz ZZVPKXDMFFNVQU-UHFFFAOYSA-N 0 3 300.874 3.490 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)CC ZINC001281902142 1109414367 /nfs/dbraw/zinc/41/43/67/1109414367.db2.gz XPGSMVYBGDUDAP-LSBZLQRGSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC001281941688 1109418941 /nfs/dbraw/zinc/41/89/41/1109418941.db2.gz JLSLJKYEDZQULC-OIAUPDTQSA-N 0 3 316.489 3.168 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](C)c1ccccc1F ZINC001281955529 1109421117 /nfs/dbraw/zinc/42/11/17/1109421117.db2.gz NLFNDECJTXVTRW-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001282014804 1109430640 /nfs/dbraw/zinc/43/06/40/1109430640.db2.gz KOQOGUDFJCTKOY-PNESKVBLSA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)cc1F ZINC001282122890 1109453761 /nfs/dbraw/zinc/45/37/61/1109453761.db2.gz HXZAYNLJBAVPMX-STQMWFEESA-N 0 3 324.827 3.265 20 30 DGEDHN C=C(C)CCC(=O)N(C)CC(C)(C)CNCc1ccc(F)cn1 ZINC001282306957 1109481819 /nfs/dbraw/zinc/48/18/19/1109481819.db2.gz QKTUKSJCZICDRT-UHFFFAOYSA-N 0 3 321.440 3.151 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001282495250 1109526481 /nfs/dbraw/zinc/52/64/81/1109526481.db2.gz DUJCPLJHQVHMJK-INIZCTEOSA-N 0 3 300.446 3.039 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](F)C(C)C)CCCCC1 ZINC001282619160 1109537623 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C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1cc(C)ccc1C ZINC001283230720 1109604967 /nfs/dbraw/zinc/60/49/67/1109604967.db2.gz APLSUKPVJAUPDU-MRXNPFEDSA-N 0 3 322.880 3.473 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001283247891 1109606170 /nfs/dbraw/zinc/60/61/70/1109606170.db2.gz FSYYSBQFZOXTOI-AWEZNQCLSA-N 0 3 320.864 3.028 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2n(c1)CCCC2 ZINC001283284518 1109609396 /nfs/dbraw/zinc/60/93/96/1109609396.db2.gz ZNAOXWPXKGBFIV-AWEZNQCLSA-N 0 3 323.868 3.065 20 30 DGEDHN C[C@@H](C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1)C(C)(C)C ZINC001283633101 1109664175 /nfs/dbraw/zinc/66/41/75/1109664175.db2.gz WKTDPWLGNFWZQX-IRXDYDNUSA-N 0 3 314.473 3.157 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(C)ccc2OC)[C@H]1C ZINC001283865561 1109690779 /nfs/dbraw/zinc/69/07/79/1109690779.db2.gz HSNHHEQWCBYEME-WBVHZDCISA-N 0 3 316.445 3.049 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@@H]1C ZINC001283868456 1109691421 /nfs/dbraw/zinc/69/14/21/1109691421.db2.gz 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ZINC001284150248 1109749026 /nfs/dbraw/zinc/74/90/26/1109749026.db2.gz AFJNRVZADCDXFA-SJLPKXTDSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)[C@H]1C ZINC001284154208 1109749907 /nfs/dbraw/zinc/74/99/07/1109749907.db2.gz NXTJCSPHMPIKSJ-CXAGYDPISA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2ccccc2o1)C(C)C ZINC001284559313 1109812432 /nfs/dbraw/zinc/81/24/32/1109812432.db2.gz VAKTYFVQZVNQPL-UHFFFAOYSA-N 0 3 300.402 3.401 20 30 DGEDHN CCCC(=O)N[C@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC001284563037 1109812917 /nfs/dbraw/zinc/81/29/17/1109812917.db2.gz WWBHEUHMGHMRRD-MRXNPFEDSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC001284702501 1109844375 /nfs/dbraw/zinc/84/43/75/1109844375.db2.gz POMCDVVDQRLFSZ-MSOLQXFVSA-N 0 3 324.468 3.196 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](C)c2ccccc2)CC1 ZINC001284702273 1109844638 /nfs/dbraw/zinc/84/46/38/1109844638.db2.gz LZJKZWKHSFVXKW-IAGOWNOFSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001284725922 1109850939 /nfs/dbraw/zinc/85/09/39/1109850939.db2.gz MMELKASIXUVYBG-FUHWJXTLSA-N 0 3 306.494 3.299 20 30 DGEDHN CN(C(=O)[C@H]1CCC1(C)C)C1CC(NCC#Cc2ccccc2)C1 ZINC001284787420 1109860566 /nfs/dbraw/zinc/86/05/66/1109860566.db2.gz BQLQXSZQRQMWPO-CTWPCTMYSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001284994054 1109889141 /nfs/dbraw/zinc/88/91/41/1109889141.db2.gz BQKNUQOQRHDBPW-LJQANCHMSA-N 0 3 302.462 3.447 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001316642174 1110041157 /nfs/dbraw/zinc/04/11/57/1110041157.db2.gz RIXQPHRSSZYDFJ-KBRIMQKVSA-N 0 3 320.864 3.102 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N[C@H](C)c1ccccc1F ZINC001317239336 1111099251 /nfs/dbraw/zinc/09/92/51/1111099251.db2.gz BSTFBQPPYOXJIU-ZIAGYGMSSA-N 0 3 304.409 3.031 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ncccc2C)[C@@H]1CC ZINC001316736036 1111195962 /nfs/dbraw/zinc/19/59/62/1111195962.db2.gz YWCDRFLQYFETMF-DOTOQJQBSA-N 0 3 315.461 3.071 20 30 DGEDHN Cc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)ncc1C#N ZINC001307076173 1111263224 /nfs/dbraw/zinc/26/32/24/1111263224.db2.gz DSZRCWYYAODQJD-OAHLLOKOSA-N 0 3 321.428 3.294 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC001307501179 1111307350 /nfs/dbraw/zinc/30/73/50/1111307350.db2.gz UUBNCUXOYABBNS-PKOBYXMFSA-N 0 3 310.445 3.199 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC001307501178 1111307631 /nfs/dbraw/zinc/30/76/31/1111307631.db2.gz UUBNCUXOYABBNS-MJGOQNOKSA-N 0 3 310.445 3.199 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC001307501176 1111307801 /nfs/dbraw/zinc/30/78/01/1111307801.db2.gz UUBNCUXOYABBNS-IEBWSBKVSA-N 0 3 310.445 3.199 20 30 DGEDHN Cc1ccc(CN2CCN(C)C[C@@H]2Cc2ccccc2)cc1C#N ZINC001307900936 1111352838 /nfs/dbraw/zinc/35/28/38/1111352838.db2.gz JRXZTUWEEMMSTD-NRFANRHFSA-N 0 3 319.452 3.225 20 30 DGEDHN C#CCN(C[C@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCCc2ccccc21 ZINC001308105196 1111378280 /nfs/dbraw/zinc/37/82/80/1111378280.db2.gz YUNYNIXZIZGGNU-IEBWSBKVSA-N 0 3 323.436 3.485 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(CC1CCC(F)(F)CC1)C2 ZINC001308131490 1111381718 /nfs/dbraw/zinc/38/17/18/1111381718.db2.gz DXKSLYQFKIUKRX-UHFFFAOYSA-N 0 3 311.401 3.386 20 30 DGEDHN N#Cc1ccc(OCCCN2CCCC[C@@]23CCCOC3)cc1 ZINC001308169358 1111388809 /nfs/dbraw/zinc/38/88/09/1111388809.db2.gz BBDPXTUHSARWHD-IBGZPJMESA-N 0 3 314.429 3.362 20 30 DGEDHN C#CC[C@H](CCOC)NCc1cccc(C)c1Br ZINC001308482618 1111433372 /nfs/dbraw/zinc/43/33/72/1111433372.db2.gz QYVWPRDUMTYOQJ-CQSZACIVSA-N 0 3 310.235 3.276 20 30 DGEDHN CC#CCCNCc1cc(OC)c(Br)cc1F ZINC001308655285 1111456971 /nfs/dbraw/zinc/45/69/71/1111456971.db2.gz DUIIECBZSXBDDF-UHFFFAOYSA-N 0 3 300.171 3.100 20 30 DGEDHN C=CCSCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001308676832 1111459882 /nfs/dbraw/zinc/45/98/82/1111459882.db2.gz KIMASHMOMFFDPM-UHFFFAOYSA-N 0 3 316.264 3.472 20 30 DGEDHN C#C[C@@H](CC)NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001308751186 1111469884 /nfs/dbraw/zinc/46/98/84/1111469884.db2.gz QJABBDTVWJMGAR-INIZCTEOSA-N 0 3 302.418 3.213 20 30 DGEDHN CCNc1ccccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC001308791927 1111475931 /nfs/dbraw/zinc/47/59/31/1111475931.db2.gz FTXJEVLUPZWLEJ-KRWDZBQOSA-N 0 3 322.412 3.038 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1SC(C)C ZINC001310433594 1111559282 /nfs/dbraw/zinc/55/92/82/1111559282.db2.gz JNSOPGJCPVDUPX-UHFFFAOYSA-N 0 3 319.474 3.264 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001313064221 1111692127 /nfs/dbraw/zinc/69/21/27/1111692127.db2.gz KAZABVLRDSKPHX-UHFFFAOYSA-N 0 3 321.509 3.496 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC[C@@H]2CCCCN2C)CCCC1(C)C ZINC001313377142 1111712876 /nfs/dbraw/zinc/71/28/76/1111712876.db2.gz WHXSMNPWGXGJTG-HOTGVXAUSA-N 0 3 307.482 3.247 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CCC(C)(C)C)C[C@@H]2C1 ZINC001316759160 1111724877 /nfs/dbraw/zinc/72/48/77/1111724877.db2.gz QTDQRJXKJMNNSR-KSZLIROESA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001316718697 1111736828 /nfs/dbraw/zinc/73/68/28/1111736828.db2.gz BLAIZHPCQMEUDT-SBCIKOMTSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC2CCC1CC2 ZINC001316806208 1111742006 /nfs/dbraw/zinc/74/20/06/1111742006.db2.gz LXJOYWHAIFXMEU-ZGUYJTEBSA-N 0 3 304.478 3.312 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001317040046 1111742599 /nfs/dbraw/zinc/74/25/99/1111742599.db2.gz VPKCHVCBPBIAHO-KXKDPZRNSA-N 0 3 310.869 3.103 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)C1CCC1 ZINC001315842787 1111748026 /nfs/dbraw/zinc/74/80/26/1111748026.db2.gz UGVGKJIWGRFBGI-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CCOCC)CCCC2)[C@H]1C ZINC001316795618 1111769984 /nfs/dbraw/zinc/76/99/84/1111769984.db2.gz LOUATCKNENYXPO-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN N#Cc1ccc(CNCCc2nc(-c3ccccn3)cs2)cc1 ZINC000076894470 185050623 /nfs/dbraw/zinc/05/06/23/185050623.db2.gz RYWKMIYLOXWEAE-UHFFFAOYSA-N 0 3 320.421 3.409 20 30 DGEDHN C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(C#N)c(F)c1 ZINC000278459368 214167463 /nfs/dbraw/zinc/16/74/63/214167463.db2.gz MKVUNUXKVRKUMV-VIFPVBQESA-N 0 3 322.277 3.265 20 30 DGEDHN CC(C)(C)OC(=O)NCCCNC1(c2cccc(C#N)c2)CC1 ZINC000278522420 214209187 /nfs/dbraw/zinc/20/91/87/214209187.db2.gz SHPBGOQQAIFXQW-UHFFFAOYSA-N 0 3 315.417 3.052 20 30 DGEDHN N#Cc1cccc(CN2CCCN(Cc3ccccc3)CC2)c1F ZINC000323620682 231216832 /nfs/dbraw/zinc/21/68/32/231216832.db2.gz NNHFFKBFOOFQHB-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000353105711 529488476 /nfs/dbraw/zinc/48/84/76/529488476.db2.gz BUZBCSYYAREHRE-BEFAXECRSA-N 0 3 313.445 3.268 20 30 DGEDHN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1C ZINC000355132958 529491583 /nfs/dbraw/zinc/49/15/83/529491583.db2.gz NGFNWCPPKWMMPT-LBPRGKRZSA-N 0 3 321.302 3.491 20 30 DGEDHN CC[C@H](NCCC(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000182602611 529594623 /nfs/dbraw/zinc/59/46/23/529594623.db2.gz GSOQARITEJTDOC-HNNXBMFYSA-N 0 3 307.825 3.143 20 30 DGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)N(C)C ZINC000413421392 529616394 /nfs/dbraw/zinc/61/63/94/529616394.db2.gz WWYXUQSJYPJXAL-CHWSQXEVSA-N 0 3 314.216 3.014 20 30 DGEDHN C=CCC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000090539393 185301715 /nfs/dbraw/zinc/30/17/15/185301715.db2.gz WWDHMEWHYJTULG-MRXNPFEDSA-N 0 3 300.362 3.088 20 30 DGEDHN CN(C)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000353429919 282250082 /nfs/dbraw/zinc/25/00/82/282250082.db2.gz VFCVDKUZWRXZBV-ZWKOTPCHSA-N 0 3 311.454 3.500 20 30 DGEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1 ZINC000181519819 199310111 /nfs/dbraw/zinc/31/01/11/199310111.db2.gz LNHIEQQOIWWNTN-CHWSQXEVSA-N 0 3 313.426 3.340 20 30 DGEDHN C[C@@H](NCc1ccccc1OCCN(C)C)c1cccc(C#N)c1 ZINC000181627262 199329261 /nfs/dbraw/zinc/32/92/61/199329261.db2.gz ZURAWZKMFKRIAJ-MRXNPFEDSA-N 0 3 323.440 3.349 20 30 DGEDHN CN(CC#Cc1ccc(F)cc1)CCCN(C)Cc1ccco1 ZINC000353558635 529822777 /nfs/dbraw/zinc/82/27/77/529822777.db2.gz XWNDLQHULSEPDX-UHFFFAOYSA-N 0 3 314.404 3.224 20 30 DGEDHN C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181659784 199333803 /nfs/dbraw/zinc/33/38/03/199333803.db2.gz QXWBNADEHSKRSQ-ZDUSSCGKSA-N 0 3 303.406 3.076 20 30 DGEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000026223910 529871428 /nfs/dbraw/zinc/87/14/28/529871428.db2.gz HLWKNRQVUAJNSP-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCN1CCCC1 ZINC000286724669 219131493 /nfs/dbraw/zinc/13/14/93/219131493.db2.gz DFYXOVLAYYKZBR-UHFFFAOYSA-N 0 3 320.318 3.031 20 30 DGEDHN C=C(C)CN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000103480522 432010417 /nfs/dbraw/zinc/01/04/17/432010417.db2.gz ADLFOVGCQKVPSL-MRXNPFEDSA-N 0 3 301.434 3.405 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(Cl)c2)CC1 ZINC000106034613 432019122 /nfs/dbraw/zinc/01/91/22/432019122.db2.gz VQIXVYOYATZDAQ-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2ccc(C)cc2)CC1 ZINC000106034401 432019801 /nfs/dbraw/zinc/01/98/01/432019801.db2.gz OXOHUQVUJHQACG-UHFFFAOYSA-N 0 3 314.473 3.429 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC)cc2)CC1 ZINC000106315977 432020129 /nfs/dbraw/zinc/02/01/29/432020129.db2.gz WKJSUZFZLNALCL-UHFFFAOYSA-N 0 3 301.434 3.411 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(Cl)cc2)CC1 ZINC000106037873 432020453 /nfs/dbraw/zinc/02/04/53/432020453.db2.gz NCWAKOHBOZGLKL-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000106315829 432020536 /nfs/dbraw/zinc/02/05/36/432020536.db2.gz NCTOPJVWWCUOJP-UHFFFAOYSA-N 0 3 309.360 3.127 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000272553833 209967031 /nfs/dbraw/zinc/96/70/31/209967031.db2.gz MOGPEOIJEYCKRN-GFCCVEGCSA-N 0 3 303.324 3.481 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(CC)s2)CC1 ZINC000106038826 432020845 /nfs/dbraw/zinc/02/08/45/432020845.db2.gz NMNOJWRTRXYVBM-UHFFFAOYSA-N 0 3 306.475 3.389 20 30 DGEDHN C=CCCC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000106829076 432022095 /nfs/dbraw/zinc/02/20/95/432022095.db2.gz RWBDIJSGDOXFKI-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000179712390 186209188 /nfs/dbraw/zinc/20/91/88/186209188.db2.gz MYJCKJTWCGCBGG-MRXNPFEDSA-N 0 3 313.401 3.322 20 30 DGEDHN CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181865181 186212372 /nfs/dbraw/zinc/21/23/72/186212372.db2.gz WDIXPPZOYAYIPK-XTGKAWNFSA-N 0 3 304.459 3.289 20 30 DGEDHN CC(C)[C@H](CNC(=O)c1sccc1C#N)N1CCC(C)CC1 ZINC000052034997 545691810 /nfs/dbraw/zinc/69/18/10/545691810.db2.gz KGLMIFMAUOGHJY-HNNXBMFYSA-N 0 3 319.474 3.106 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2SC)CC1 ZINC000171730491 197975570 /nfs/dbraw/zinc/97/55/70/197975570.db2.gz WASNDYPNULYFGW-UHFFFAOYSA-N 0 3 304.459 3.179 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)[C@H](C)C(C)C ZINC000067661273 432034245 /nfs/dbraw/zinc/03/42/45/432034245.db2.gz SHPVADJXWNVWGI-MRXNPFEDSA-N 0 3 301.434 3.300 20 30 DGEDHN N#CC1(CCN2CC[C@H](C(F)(F)F)[C@H](CO)C2)CCCCC1 ZINC000411718046 283045426 /nfs/dbraw/zinc/04/54/26/283045426.db2.gz JZKHIPUSDBTZMF-KBPBESRZSA-N 0 3 318.383 3.343 20 30 DGEDHN N#CCSCCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000477 283053884 /nfs/dbraw/zinc/05/38/84/283053884.db2.gz OJEYRMTXWCERSH-KRWDZBQOSA-N 0 3 316.470 3.487 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC000294757070 283058161 /nfs/dbraw/zinc/05/81/61/283058161.db2.gz YCAJAEDCOWAOPF-JHJVBQTASA-N 0 3 312.339 3.231 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC000294757073 283058236 /nfs/dbraw/zinc/05/82/36/283058236.db2.gz YCAJAEDCOWAOPF-UPJWGTAASA-N 0 3 312.339 3.231 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000339064606 283058552 /nfs/dbraw/zinc/05/85/52/283058552.db2.gz OSDDMCCLEMHJSG-PBHICJAKSA-N 0 3 310.397 3.239 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000068048792 432049395 /nfs/dbraw/zinc/04/93/95/432049395.db2.gz BRSLEAWDZACHFH-MJGOQNOKSA-N 0 3 301.430 3.116 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000068048790 432049694 /nfs/dbraw/zinc/04/96/94/432049694.db2.gz BRSLEAWDZACHFH-HKUYNNGSSA-N 0 3 301.430 3.116 20 30 DGEDHN CN(CCNc1ccc([N+](=O)[O-])c(C#N)c1)Cc1ccccc1 ZINC000165937660 432057488 /nfs/dbraw/zinc/05/74/88/432057488.db2.gz WPXITZSVMUQTSY-UHFFFAOYSA-N 0 3 310.357 3.010 20 30 DGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(C#N)c1 ZINC000133093275 432057507 /nfs/dbraw/zinc/05/75/07/432057507.db2.gz NRALYEKTECICIJ-UHFFFAOYSA-N 0 3 321.424 3.199 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166151550 432058677 /nfs/dbraw/zinc/05/86/77/432058677.db2.gz PHZSDDCSWFSOFZ-STQMWFEESA-N 0 3 302.846 3.364 20 30 DGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccccc3F)CC2)c1 ZINC000299126914 283205145 /nfs/dbraw/zinc/20/51/45/283205145.db2.gz VYTUZBAIMULQKL-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN CCn1cc([C@@H](C)NCCSCc2ccccc2C#N)cn1 ZINC000177822272 198784304 /nfs/dbraw/zinc/78/43/04/198784304.db2.gz AFCQIGLSDUBTBP-CQSZACIVSA-N 0 3 314.458 3.359 20 30 DGEDHN CCN([C@@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(C(C)C)C1=O ZINC000179300045 199012385 /nfs/dbraw/zinc/01/23/85/199012385.db2.gz QZKCLDYHGDLARJ-YJBOKZPZSA-N 0 3 313.445 3.341 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCCC)cc2)CC1 ZINC000179432633 199034825 /nfs/dbraw/zinc/03/48/25/199034825.db2.gz XPJFBADGCIMJPS-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN N#Cc1ccc(OCCN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000170689193 432076966 /nfs/dbraw/zinc/07/69/66/432076966.db2.gz FDTVITCFDFZZMZ-GOSISDBHSA-N 0 3 307.397 3.123 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000187678532 200143018 /nfs/dbraw/zinc/14/30/18/200143018.db2.gz XTSRVJWLMVLOBC-PBHICJAKSA-N 0 3 321.428 3.037 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(OC(F)(F)F)cc2)o1 ZINC000237727350 202340254 /nfs/dbraw/zinc/34/02/54/202340254.db2.gz FAEOQFYFJQKCQG-UHFFFAOYSA-N 0 3 310.275 3.382 20 30 DGEDHN C=CCC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC1 ZINC000188956658 200327428 /nfs/dbraw/zinc/32/74/28/200327428.db2.gz FFSRNJCSKMACFJ-UHFFFAOYSA-N 0 3 302.418 3.312 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)CC1 ZINC000189224007 200366062 /nfs/dbraw/zinc/36/60/62/200366062.db2.gz QDPIDGCBHZAFRC-HXUWFJFHSA-N 0 3 324.468 3.259 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000424083570 237879773 /nfs/dbraw/zinc/87/97/73/237879773.db2.gz CZPHYUGLTZGCBX-HUUCEWRRSA-N 0 3 305.809 3.025 20 30 DGEDHN CN(C)[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000431803650 238111357 /nfs/dbraw/zinc/11/13/57/238111357.db2.gz ZEAISWMQVMMIDP-QGZVFWFLSA-N 0 3 311.360 3.329 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 ZINC000433217159 238150736 /nfs/dbraw/zinc/15/07/36/238150736.db2.gz BISITZGKJOLHOT-GOSISDBHSA-N 0 3 321.424 3.459 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCCNc1ccccc1 ZINC000433346708 238156549 /nfs/dbraw/zinc/15/65/49/238156549.db2.gz HMWSFGNFFGQIPO-GOSISDBHSA-N 0 3 321.424 3.377 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cc(F)ccc1F ZINC000433350767 238156981 /nfs/dbraw/zinc/15/69/81/238156981.db2.gz CQNYFTIYAVYCCU-CQSZACIVSA-N 0 3 314.335 3.354 20 30 DGEDHN COc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271966550 209346224 /nfs/dbraw/zinc/34/62/24/209346224.db2.gz VNZLACYALZRZIX-KZULUSFZSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@@H](NCCOc1ncccc1Cl)c1ccc(C#N)c(F)c1 ZINC000271934384 209336172 /nfs/dbraw/zinc/33/61/72/209336172.db2.gz JRAPLTHTZIULQC-LLVKDONJSA-N 0 3 319.767 3.475 20 30 DGEDHN CCN(CC1(CC(=O)OC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000281423282 216288565 /nfs/dbraw/zinc/28/85/65/216288565.db2.gz IGEPGDZJLYTFOR-CQSZACIVSA-N 0 3 300.402 3.284 20 30 DGEDHN C[C@H](NCc1ccccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000066989680 283694822 /nfs/dbraw/zinc/69/48/22/283694822.db2.gz NPRRZBWUHUNOJN-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000442769361 239119971 /nfs/dbraw/zinc/11/99/71/239119971.db2.gz QACORDUAOCDPFA-ZBFHGGJFSA-N 0 3 309.369 3.314 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000442778728 239122192 /nfs/dbraw/zinc/12/21/92/239122192.db2.gz HTDIYIJLPJDCHM-YJBOKZPZSA-N 0 3 320.396 3.116 20 30 DGEDHN COCCCOc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442777736 239123674 /nfs/dbraw/zinc/12/36/74/239123674.db2.gz AAPYFZBKIOTGFC-NVXWUHKLSA-N 0 3 302.418 3.192 20 30 DGEDHN N#C[C@H]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000442850444 239137725 /nfs/dbraw/zinc/13/77/25/239137725.db2.gz PLHHLWMENFKOIL-ONGXEEELSA-N 0 3 300.189 3.049 20 30 DGEDHN C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H](C)C1 ZINC000443642289 239221697 /nfs/dbraw/zinc/22/16/97/239221697.db2.gz NUOGIKGKWUMBCH-DLBZAZTESA-N 0 3 313.445 3.301 20 30 DGEDHN COc1ccc(CN(C)CCOCc2ccccc2)cc1C#N ZINC000135144267 432100561 /nfs/dbraw/zinc/10/05/61/432100561.db2.gz VYVLNGDXPDZESQ-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN CC1(C#N)CCC(Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000449338978 240140190 /nfs/dbraw/zinc/14/01/90/240140190.db2.gz WXBWXKHAWCBSRO-CUYAVPTFSA-N 0 3 313.445 3.138 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000449352685 240151935 /nfs/dbraw/zinc/15/19/35/240151935.db2.gz XSVLSWMCOGIATB-STQMWFEESA-N 0 3 300.793 3.308 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000449521146 240264622 /nfs/dbraw/zinc/26/46/22/240264622.db2.gz QWSZEMBRQRHJIF-CVEARBPZSA-N 0 3 303.402 3.075 20 30 DGEDHN CC[C@@H]1CN(CC)CCN1Cc1cccc(OCCCC#N)c1 ZINC000449566019 240294419 /nfs/dbraw/zinc/29/44/19/240294419.db2.gz MOWNYVVTSIMRIY-GOSISDBHSA-N 0 3 315.461 3.285 20 30 DGEDHN C=C(C)COc1cc(CN(CC(C)(C)O)C2CC2)ccc1OC ZINC000189941759 432106616 /nfs/dbraw/zinc/10/66/16/432106616.db2.gz GRIKTHLSGPFKKI-UHFFFAOYSA-N 0 3 319.445 3.385 20 30 DGEDHN CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268570634 432106519 /nfs/dbraw/zinc/10/65/19/432106519.db2.gz ANBASMANVZTIMZ-LJQANCHMSA-N 0 3 310.397 3.122 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000451158960 241025779 /nfs/dbraw/zinc/02/57/79/241025779.db2.gz AXAYZPYIYCQQEI-CABCVRRESA-N 0 3 304.409 3.374 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1OCC(F)(F)F ZINC000451606244 241185588 /nfs/dbraw/zinc/18/55/88/241185588.db2.gz MYVZXBJFSKZXOH-OLZOCXBDSA-N 0 3 301.308 3.061 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC23CCCC3)cc1Cl ZINC000451456308 241129180 /nfs/dbraw/zinc/12/91/80/241129180.db2.gz LKFGGGAAVIIXQR-OAHLLOKOSA-N 0 3 317.820 3.463 20 30 DGEDHN C[C@@](CO)(NCCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC000451918912 241273896 /nfs/dbraw/zinc/27/38/96/241273896.db2.gz ZBMNTPWMELGYHD-AWEZNQCLSA-N 0 3 301.217 3.484 20 30 DGEDHN C=CC[C@H](C(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000275324495 212271973 /nfs/dbraw/zinc/27/19/73/212271973.db2.gz OVFVTEZEGDDMAK-SFHVURJKSA-N 0 3 300.446 3.289 20 30 DGEDHN N#Cc1ccc(CNCCc2cc(C(F)(F)F)ccn2)c(F)c1 ZINC000293045186 223369205 /nfs/dbraw/zinc/36/92/05/223369205.db2.gz SSPNVUXNKVCANE-UHFFFAOYSA-N 0 3 323.293 3.443 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 ZINC000181030961 432111228 /nfs/dbraw/zinc/11/12/28/432111228.db2.gz NWCNJLOYLIAWHB-HNNXBMFYSA-N 0 3 322.412 3.200 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000268643254 432114260 /nfs/dbraw/zinc/11/42/60/432114260.db2.gz SZWMJOGGWJHDGQ-IBGZPJMESA-N 0 3 310.372 3.395 20 30 DGEDHN C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCCC[C@H]1C ZINC000455924164 242313260 /nfs/dbraw/zinc/31/32/60/242313260.db2.gz VBCXSNQDLILKKJ-CABCVRRESA-N 0 3 314.433 3.137 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000456004432 242327436 /nfs/dbraw/zinc/32/74/36/242327436.db2.gz OTNCWYQKWKXSIU-UHFFFAOYSA-N 0 3 312.417 3.029 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449647064 299380445 /nfs/dbraw/zinc/38/04/45/299380445.db2.gz OZXBADODLKOYBH-QBYUYEEZSA-N 0 3 311.429 3.025 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000458782679 243155608 /nfs/dbraw/zinc/15/56/08/243155608.db2.gz UZLYMXPBIIMUHW-NVXWUHKLSA-N 0 3 303.450 3.252 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000275155624 212155225 /nfs/dbraw/zinc/15/52/25/212155225.db2.gz YXKOSRCFGIRUTC-GOSISDBHSA-N 0 3 300.446 3.289 20 30 DGEDHN C[C@H](CCC1CCCCC1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115601328 284115044 /nfs/dbraw/zinc/11/50/44/284115044.db2.gz MTOKXHVGOIKTJV-KDOFPFPSSA-N 0 3 313.445 3.423 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000268690684 432119533 /nfs/dbraw/zinc/11/95/33/432119533.db2.gz OUCPAGNQWKQLKB-FQEVSTJZSA-N 0 3 322.408 3.209 20 30 DGEDHN C=CCOCCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000470718002 244184159 /nfs/dbraw/zinc/18/41/59/244184159.db2.gz XUHWVRMOIRCTBJ-UHFFFAOYSA-N 0 3 308.853 3.363 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)C(F)F)C(C)C ZINC000472155735 244286338 /nfs/dbraw/zinc/28/63/38/244286338.db2.gz LQHGPUKMQUZETC-CYBMUJFWSA-N 0 3 302.409 3.093 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)s1 ZINC000487734978 245101436 /nfs/dbraw/zinc/10/14/36/245101436.db2.gz VBROLVHPLRZZFP-CYBMUJFWSA-N 0 3 305.447 3.004 20 30 DGEDHN Cc1nc(N(CCCc2ccccc2)CCN(C)C)ccc1C#N ZINC000488072788 245143281 /nfs/dbraw/zinc/14/32/81/245143281.db2.gz FYLBYGNRBMPXDQ-UHFFFAOYSA-N 0 3 322.456 3.263 20 30 DGEDHN Cc1nc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488099324 245145570 /nfs/dbraw/zinc/14/55/70/245145570.db2.gz KKUDCAFOFUXBNW-JKSUJKDBSA-N 0 3 320.440 3.361 20 30 DGEDHN Cc1cc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)ccc1C#N ZINC000488125219 245150560 /nfs/dbraw/zinc/15/05/60/245150560.db2.gz LFWVWPMUCJCELN-ZWKOTPCHSA-N 0 3 316.470 3.353 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000488697977 245219153 /nfs/dbraw/zinc/21/91/53/245219153.db2.gz APNUAHHRXZQMHA-INIZCTEOSA-N 0 3 301.434 3.363 20 30 DGEDHN C=CCC[C@@H](O)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490079307 245380389 /nfs/dbraw/zinc/38/03/89/245380389.db2.gz YSWMHTKGMAWYBO-DLBZAZTESA-N 0 3 318.461 3.361 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](C)COCC(F)(F)F)cc1 ZINC000264987475 204326405 /nfs/dbraw/zinc/32/64/05/204326405.db2.gz WITGVDWFGAESKY-CYBMUJFWSA-N 0 3 315.335 3.146 20 30 DGEDHN COc1cc(CN(C)[C@@H](CCO)c2ccccc2)ccc1C#N ZINC000282490989 217036267 /nfs/dbraw/zinc/03/62/67/217036267.db2.gz XMTXEDLDJWVTGJ-SFHVURJKSA-N 0 3 310.397 3.122 20 30 DGEDHN COCCN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000127168751 284329784 /nfs/dbraw/zinc/32/97/84/284329784.db2.gz MDALHXSQGMYUJT-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN C=CCN1CCC(Nc2nc(-c3cccnc3)nc(C)c2C)CC1 ZINC000266313200 205258099 /nfs/dbraw/zinc/25/80/99/205258099.db2.gz DTYLXXXKWQYDEP-UHFFFAOYSA-N 0 3 323.444 3.218 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C)CC1 ZINC000266330309 205271996 /nfs/dbraw/zinc/27/19/96/205271996.db2.gz VKFLIGYFMFWJPT-UHFFFAOYSA-N 0 3 312.866 3.258 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccnc(C#N)c1 ZINC000288541653 220221168 /nfs/dbraw/zinc/22/11/68/220221168.db2.gz VDONCMRBTJQSQQ-KXBFYZLASA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccnc(C#N)c1 ZINC000288541643 220221572 /nfs/dbraw/zinc/22/15/72/220221572.db2.gz VDONCMRBTJQSQQ-DNVCBOLYSA-N 0 3 306.413 3.276 20 30 DGEDHN C=CCN1CC[C@H](NCC2(c3cccs3)CCCCC2)C1=O ZINC000493601531 246020194 /nfs/dbraw/zinc/02/01/94/246020194.db2.gz IMEYNQMNZFDUIW-HNNXBMFYSA-N 0 3 318.486 3.327 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@H](O)c2ccc(F)cc2)cc1 ZINC000268779359 432132993 /nfs/dbraw/zinc/13/29/93/432132993.db2.gz XEYCLONKTDARFG-LIRRHRJNSA-N 0 3 313.372 3.222 20 30 DGEDHN CN(C(=O)c1cc(C#N)cs1)C(C)(C)CN1CCCCCC1 ZINC000493986224 246102771 /nfs/dbraw/zinc/10/27/71/246102771.db2.gz UBNICJHCZYDBFN-UHFFFAOYSA-N 0 3 319.474 3.346 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000494283726 246131988 /nfs/dbraw/zinc/13/19/88/246131988.db2.gz YGHJJZCFQXYHBZ-CXAGYDPISA-N 0 3 320.458 3.060 20 30 DGEDHN Cc1cc(CNC(=O)C(C)C#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000495932426 246328499 /nfs/dbraw/zinc/32/84/99/246328499.db2.gz VKGZBUCXLKTAMJ-GFCCVEGCSA-N 0 3 317.389 3.118 20 30 DGEDHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000496157708 246359802 /nfs/dbraw/zinc/35/98/02/246359802.db2.gz IXYSEWRLQJMVMZ-ZIAGYGMSSA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000496516873 246404837 /nfs/dbraw/zinc/40/48/37/246404837.db2.gz ZKFCSASGKDUDAC-NWDGAFQWSA-N 0 3 323.462 3.401 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000190313765 432144286 /nfs/dbraw/zinc/14/42/86/432144286.db2.gz KMXKEPAUFCPZAD-LBPRGKRZSA-N 0 3 310.423 3.162 20 30 DGEDHN N#Cc1cccc(CN[C@H]2CCCN(c3ccccc3F)C2)c1 ZINC000136119315 432145903 /nfs/dbraw/zinc/14/59/03/432145903.db2.gz QQYSGDDTNBUWST-KRWDZBQOSA-N 0 3 309.388 3.456 20 30 DGEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc(C#N)s1 ZINC000284674654 218128843 /nfs/dbraw/zinc/12/88/43/218128843.db2.gz HXNGVISQGMFFNB-HOCLYGCPSA-N 0 3 316.430 3.017 20 30 DGEDHN C=CC[C@H](CO)NCc1ccc(OCC(C)C)c(OCC)c1 ZINC000273529676 210845637 /nfs/dbraw/zinc/84/56/37/210845637.db2.gz UWZFNWMHPSNJMP-MRXNPFEDSA-N 0 3 307.434 3.147 20 30 DGEDHN COCCN(CCc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000063754134 184288217 /nfs/dbraw/zinc/28/82/17/184288217.db2.gz OFGWRKIBYFTUQG-UHFFFAOYSA-N 0 3 324.424 3.258 20 30 DGEDHN CCN(Cc1c[nH]c(C(=O)OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119872840 195053360 /nfs/dbraw/zinc/05/33/60/195053360.db2.gz RZFJWEBZCKYOAS-ZDUSSCGKSA-N 0 3 311.385 3.256 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1cccs1)OCC ZINC000270174618 208239074 /nfs/dbraw/zinc/23/90/74/208239074.db2.gz LUMAGMPTXACDER-INIZCTEOSA-N 0 3 324.490 3.010 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000337932842 253195772 /nfs/dbraw/zinc/19/57/72/253195772.db2.gz DIEWLESPULLEDI-UHFFFAOYSA-N 0 3 307.397 3.075 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)Nc1ccccc1CCN(C)C ZINC000337986335 253204797 /nfs/dbraw/zinc/20/47/97/253204797.db2.gz QRZPWWAJJHCGIS-UHFFFAOYSA-N 0 3 307.397 3.223 20 30 DGEDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000338337866 253267981 /nfs/dbraw/zinc/26/79/81/253267981.db2.gz DVQWFPJNEUSVNJ-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272961743 210346804 /nfs/dbraw/zinc/34/68/04/210346804.db2.gz NOKOCYIUQJKZKM-MRXNPFEDSA-N 0 3 313.445 3.035 20 30 DGEDHN C=C(C)COc1cc(CN2CCC(OC)CC2)ccc1OC ZINC000271034391 208569111 /nfs/dbraw/zinc/56/91/11/208569111.db2.gz IMOMVMGBUHUHCL-UHFFFAOYSA-N 0 3 305.418 3.261 20 30 DGEDHN CC(C#N)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000355864712 533107695 /nfs/dbraw/zinc/10/76/95/533107695.db2.gz DSHDTOKQPHXEAU-NSHDSACASA-N 0 3 321.218 3.099 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444760291 533115342 /nfs/dbraw/zinc/11/53/42/533115342.db2.gz IXPCIDOEIKCEBU-WKEGUHRASA-N 0 3 308.662 3.358 20 30 DGEDHN CN(CC[C@H]1CCCO1)Cc1ccc(C#N)cc1OC(F)F ZINC000342607730 254018234 /nfs/dbraw/zinc/01/82/34/254018234.db2.gz ROEQXFMULSRUQH-CQSZACIVSA-N 0 3 310.344 3.161 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000347126897 533117362 /nfs/dbraw/zinc/11/73/62/533117362.db2.gz DHGMEVTZFYJBKD-SUMWQHHRSA-N 0 3 306.365 3.453 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@@H](O)c2cccc(F)c2)cc1 ZINC000157627626 197202784 /nfs/dbraw/zinc/20/27/84/197202784.db2.gz MBALQGYLNWHBGH-AUUYWEPGSA-N 0 3 313.372 3.222 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ccnc(C#N)c1 ZINC000342941314 254078257 /nfs/dbraw/zinc/07/82/57/254078257.db2.gz JHSJZQJHIHSMHX-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N1CCc2ccccc21 ZINC000343154318 254106570 /nfs/dbraw/zinc/10/65/70/254106570.db2.gz QNJZWWMTTHOGKA-AWEZNQCLSA-N 0 3 309.388 3.238 20 30 DGEDHN N#Cc1ccc(CNCCCN2CCc3ccccc32)c(F)c1 ZINC000343153725 254107161 /nfs/dbraw/zinc/10/71/61/254107161.db2.gz MPAYPXCZXBCOMI-UHFFFAOYSA-N 0 3 309.388 3.240 20 30 DGEDHN Cc1cc2ncc([C@@H](C)NCCc3cccc(C#N)c3)c(C)n2n1 ZINC000343573461 254162568 /nfs/dbraw/zinc/16/25/68/254162568.db2.gz OCSJKMBLSWJGEB-CQSZACIVSA-N 0 3 319.412 3.111 20 30 DGEDHN CN(C[C@@H]1CC=CCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000344028883 254215215 /nfs/dbraw/zinc/21/52/15/254215215.db2.gz ACIHDFVFZWBJHQ-HIFRSBDPSA-N 0 3 315.442 3.013 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000344102068 254225585 /nfs/dbraw/zinc/22/55/85/254225585.db2.gz DKXFPPNGMZESGW-UHFFFAOYSA-N 0 3 305.381 3.079 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC(C)(C)C ZINC000339252726 533169187 /nfs/dbraw/zinc/16/91/87/533169187.db2.gz QHSBMAIZSWYOKE-CSLYMUCUSA-N 0 3 307.482 3.284 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@H]1C ZINC000177898735 533185251 /nfs/dbraw/zinc/18/52/51/533185251.db2.gz QXZRLEGYCAPSQK-KFWWJZLASA-N 0 3 317.408 3.191 20 30 DGEDHN COc1cc(CN2CCCCC[C@@H]2C[C@H](C)O)ccc1C#N ZINC000289861070 221275476 /nfs/dbraw/zinc/27/54/76/221275476.db2.gz VJMCHHPMKWTHPM-WMLDXEAASA-N 0 3 302.418 3.082 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCCCC[C@@H]1C[C@H](C)O ZINC000318450278 533267295 /nfs/dbraw/zinc/26/72/95/533267295.db2.gz PMZZJUGLNMQUFD-WMLDXEAASA-N 0 3 302.418 3.082 20 30 DGEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cc2ccccc2s1 ZINC000347203773 533346182 /nfs/dbraw/zinc/34/61/82/533346182.db2.gz QFWFBFORDOVTCI-GFCCVEGCSA-N 0 3 313.426 3.114 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)c2ccccc12 ZINC000354470339 533354884 /nfs/dbraw/zinc/35/48/84/533354884.db2.gz NIFYKKXVOLLRAX-OAHLLOKOSA-N 0 3 303.321 3.128 20 30 DGEDHN C[C@@H](NCCOc1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000182001460 533400092 /nfs/dbraw/zinc/40/00/92/533400092.db2.gz VQNSNYJLRRTFSN-CQSZACIVSA-N 0 3 314.360 3.458 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2c(O)cccc2C1 ZINC000600524726 400087102 /nfs/dbraw/zinc/08/71/02/400087102.db2.gz AQUNVLVKSKZDNZ-INIZCTEOSA-N 0 3 320.392 3.049 20 30 DGEDHN COC(=O)c1csc([C@H](C)NCCc2ccc(C#N)cc2)c1 ZINC000595055879 400092613 /nfs/dbraw/zinc/09/26/13/400092613.db2.gz LLZUHRXDHWEDAR-LBPRGKRZSA-N 0 3 314.410 3.300 20 30 DGEDHN C=CCCSCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000595060534 400095603 /nfs/dbraw/zinc/09/56/03/400095603.db2.gz UZNVPMOYGBAIHM-AWEZNQCLSA-N 0 3 306.475 3.348 20 30 DGEDHN CC[C@H](CCc1ccccc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000600604549 400105268 /nfs/dbraw/zinc/10/52/68/400105268.db2.gz CHOKLNFQROJJEI-RTBURBONSA-N 0 3 321.424 3.086 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000303764143 400112360 /nfs/dbraw/zinc/11/23/60/400112360.db2.gz IBDKPAWWETYBHV-WBVHZDCISA-N 0 3 316.420 3.204 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000595255779 400114666 /nfs/dbraw/zinc/11/46/66/400114666.db2.gz FABLHMUHFCXNNN-ZDUSSCGKSA-N 0 3 314.216 3.021 20 30 DGEDHN N#C[C@H](c1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC000595289717 400116772 /nfs/dbraw/zinc/11/67/72/400116772.db2.gz VVJKORQSGIGNGU-HXUWFJFHSA-N 0 3 305.425 3.459 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000581486413 400080264 /nfs/dbraw/zinc/08/02/64/400080264.db2.gz KUZDZNAPGSAIRX-LJQANCHMSA-N 0 3 306.409 3.088 20 30 DGEDHN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC[C@@H](C#N)CCC#N ZINC000581657535 400082458 /nfs/dbraw/zinc/08/24/58/400082458.db2.gz XKODAIITHXMRPX-ZIAGYGMSSA-N 0 3 312.392 3.282 20 30 DGEDHN CC(C)OCCOC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595529418 400178421 /nfs/dbraw/zinc/17/84/21/400178421.db2.gz WLYLLEYQZITGHL-UHFFFAOYSA-N 0 3 316.445 3.007 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CC(C)C)c2cccs2)CC1 ZINC000066921777 400128929 /nfs/dbraw/zinc/12/89/29/400128929.db2.gz KUCPTODNMJNLON-MRXNPFEDSA-N 0 3 318.486 3.297 20 30 DGEDHN CC(C)[C@H](NCCc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000595419889 400144292 /nfs/dbraw/zinc/14/42/92/400144292.db2.gz AMPOBQSPYKLDKD-SFHVURJKSA-N 0 3 319.412 3.130 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccsc1 ZINC000067349555 400163472 /nfs/dbraw/zinc/16/34/72/400163472.db2.gz BIJLTMZQZGPORP-ZDUSSCGKSA-N 0 3 306.822 3.383 20 30 DGEDHN COc1ccc(COCCN(C)Cc2ccc(C#N)cc2)cc1 ZINC000609384980 400164100 /nfs/dbraw/zinc/16/41/00/400164100.db2.gz AZFNGLMAPIXNFV-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN N#Cc1ccc(CCN2CCCN(c3ccccc3F)CC2)cc1 ZINC000595485270 400165323 /nfs/dbraw/zinc/16/53/23/400165323.db2.gz XDMWYDTVOYULID-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000595502458 400170052 /nfs/dbraw/zinc/17/00/52/400170052.db2.gz UWCOAAJVQUNWBD-MRXNPFEDSA-N 0 3 307.397 3.341 20 30 DGEDHN C=CCC1(NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1 ZINC000595780024 400256457 /nfs/dbraw/zinc/25/64/57/400256457.db2.gz FRTHNSNBGQXWKW-UHFFFAOYSA-N 0 3 318.373 3.360 20 30 DGEDHN N#Cc1csc(CN(CCO)[C@H]2CCCc3ccccc32)c1 ZINC000093388718 400243963 /nfs/dbraw/zinc/24/39/63/400243963.db2.gz QRDXHBORFKXDSE-SFHVURJKSA-N 0 3 312.438 3.492 20 30 DGEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1-n1cncn1 ZINC000610344692 400244630 /nfs/dbraw/zinc/24/46/30/400244630.db2.gz FXFCCYBYNCOITO-OAHLLOKOSA-N 0 3 317.396 3.298 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748467 400248950 /nfs/dbraw/zinc/24/89/50/400248950.db2.gz UUFKHUXZQVFEEK-LEWJYISDSA-N 0 3 320.436 3.465 20 30 DGEDHN CC1(C)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000595751333 400249775 /nfs/dbraw/zinc/24/97/75/400249775.db2.gz UPPPFVFBRTVCCR-MRXNPFEDSA-N 0 3 313.445 3.233 20 30 DGEDHN CC(C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000068334696 400253748 /nfs/dbraw/zinc/25/37/48/400253748.db2.gz JVTIZOAHONEAIU-NSHDSACASA-N 0 3 305.447 3.023 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000595609996 400204667 /nfs/dbraw/zinc/20/46/67/400204667.db2.gz RKKSHCRQNQPBAO-SJLPKXTDSA-N 0 3 324.424 3.205 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000022849752 400205110 /nfs/dbraw/zinc/20/51/10/400205110.db2.gz SBQKWFVEEZDYBA-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN Cc1ccc([C@@H](CNC(=O)c2ccccc2CC#N)N(C)C)cc1 ZINC000601019458 400205307 /nfs/dbraw/zinc/20/53/07/400205307.db2.gz BGXVICCVFSLWTK-LJQANCHMSA-N 0 3 321.424 3.094 20 30 DGEDHN N#CC[C@H]1CCCN(CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595614436 400206215 /nfs/dbraw/zinc/20/62/15/400206215.db2.gz CDHIONARQKTNJO-CYBMUJFWSA-N 0 3 308.328 3.176 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccccc1CC#N ZINC000601025513 400206815 /nfs/dbraw/zinc/20/68/15/400206815.db2.gz KKBFXPBOJSOQII-KRWDZBQOSA-N 0 3 313.445 3.137 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000595622579 400211252 /nfs/dbraw/zinc/21/12/52/400211252.db2.gz BYBIZFLLTBMRMV-OXQOHEQNSA-N 0 3 308.425 3.369 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000595622571 400211332 /nfs/dbraw/zinc/21/13/32/400211332.db2.gz BYBIZFLLTBMRMV-OXJNMPFZSA-N 0 3 308.425 3.369 20 30 DGEDHN N#CC[C@H]1CCCN(CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000595623560 400211460 /nfs/dbraw/zinc/21/14/60/400211460.db2.gz TZYFKTXGUWLOGL-CJNGLKHVSA-N 0 3 315.442 3.115 20 30 DGEDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1cccs1 ZINC000023744741 400212681 /nfs/dbraw/zinc/21/26/81/400212681.db2.gz ZZPJBIKZWZODIL-AWEZNQCLSA-N 0 3 316.386 3.243 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H](C)C[C@H]2C)c1 ZINC000610133339 400216278 /nfs/dbraw/zinc/21/62/78/400216278.db2.gz HUSUXTTZRNFMQI-DLBZAZTESA-N 0 3 313.445 3.280 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC2(CCCC2)CC1 ZINC000595641212 400216484 /nfs/dbraw/zinc/21/64/84/400216484.db2.gz FHYJSOONQOBJEQ-MRXNPFEDSA-N 0 3 305.466 3.041 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCCCCC#N)C1 ZINC000588621255 400216489 /nfs/dbraw/zinc/21/64/89/400216489.db2.gz FDGLOSNYIHYSHM-SFHVURJKSA-N 0 3 313.445 3.193 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595791501 400263372 /nfs/dbraw/zinc/26/33/72/400263372.db2.gz VAELDODYKGDVMR-QAPCUYQASA-N 0 3 302.393 3.478 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N1CCN(C)[C@@H](C(C)C)C1 ZINC000616999850 400266740 /nfs/dbraw/zinc/26/67/40/400266740.db2.gz CCTNFILJHGQRHX-QGZVFWFLSA-N 0 3 308.429 3.191 20 30 DGEDHN CC[C@@H](c1ccccc1)N(CC(=O)NC1(C#N)CCC1)C(C)C ZINC000595848647 400280895 /nfs/dbraw/zinc/28/08/95/400280895.db2.gz BPHZUWZQQSVHAK-KRWDZBQOSA-N 0 3 313.445 3.411 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000610905926 400322840 /nfs/dbraw/zinc/32/28/40/400322840.db2.gz MIFFFUBYUOKYMD-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN CCCCC[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000595872202 400283535 /nfs/dbraw/zinc/28/35/35/400283535.db2.gz RKIDVBVMJBELMD-WMZOPIPTSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(CCC1CC1)CC1CC1 ZINC000595871843 400283704 /nfs/dbraw/zinc/28/37/04/400283704.db2.gz RTNNJFXUHJMJML-AWEZNQCLSA-N 0 3 311.429 3.397 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000595867749 400283715 /nfs/dbraw/zinc/28/37/15/400283715.db2.gz PZUDKPHIPCLUAB-FUHWJXTLSA-N 0 3 305.466 3.086 20 30 DGEDHN COc1cccc2c1OC[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)C2 ZINC000589338773 400289871 /nfs/dbraw/zinc/28/98/71/400289871.db2.gz COVHCLIYSWUNCB-FUHWJXTLSA-N 0 3 320.392 3.147 20 30 DGEDHN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595958769 400297033 /nfs/dbraw/zinc/29/70/33/400297033.db2.gz HYHUNALPYDLYII-PKOBYXMFSA-N 0 3 313.445 3.021 20 30 DGEDHN N#CCN1CCC(N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000610812565 400310301 /nfs/dbraw/zinc/31/03/01/400310301.db2.gz BMQRVODSIMLZRT-INIZCTEOSA-N 0 3 319.836 3.131 20 30 DGEDHN N#CCCN(C(=O)CN(C1CC1)C1CCCC1)c1ccccc1 ZINC000103466550 400310652 /nfs/dbraw/zinc/31/06/52/400310652.db2.gz DMZOAZOHDVCVJT-UHFFFAOYSA-N 0 3 311.429 3.340 20 30 DGEDHN CC1CCN([C@H](CNc2c(C#N)cnn2C)c2ccccc2)CC1 ZINC000596088486 400314273 /nfs/dbraw/zinc/31/42/73/400314273.db2.gz SMAHYBUKDGXSNO-GOSISDBHSA-N 0 3 323.444 3.177 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1F ZINC000595787462 400259305 /nfs/dbraw/zinc/25/93/05/400259305.db2.gz JBRVKLXVCTUCGA-AEFFLSMTSA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1F ZINC000595789022 400261369 /nfs/dbraw/zinc/26/13/69/400261369.db2.gz PBJBINNWYYXGJC-DOTOQJQBSA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595791498 400261600 /nfs/dbraw/zinc/26/16/00/400261600.db2.gz VAELDODYKGDVMR-CRAIPNDOSA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595791499 400261722 /nfs/dbraw/zinc/26/17/22/400261722.db2.gz VAELDODYKGDVMR-MAUKXSAKSA-N 0 3 302.393 3.478 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595790853 400261888 /nfs/dbraw/zinc/26/18/88/400261888.db2.gz ZAZLKLWMMYYRTB-FUHWJXTLSA-N 0 3 314.429 3.348 20 30 DGEDHN Cc1nc(-c2cc3c(s2)CCN(C(=O)C(C)C#N)C3)cs1 ZINC000611331478 400379119 /nfs/dbraw/zinc/37/91/19/400379119.db2.gz DRQNAUQORLDZPL-SECBINFHSA-N 0 3 317.439 3.224 20 30 DGEDHN CN(C)Cc1cccc(NCCCC2(C#N)CCOCC2)c1 ZINC000601935234 400380020 /nfs/dbraw/zinc/38/00/20/400380020.db2.gz QIBOVEKDHYSFNU-UHFFFAOYSA-N 0 3 301.434 3.261 20 30 DGEDHN CC(C)[C@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1F ZINC000601966287 400390022 /nfs/dbraw/zinc/39/00/22/400390022.db2.gz ZZNJLLOEXCYWJI-KRWDZBQOSA-N 0 3 307.388 3.239 20 30 DGEDHN C[C@@H](NCCCn1c2ccccc2[nH]c1=O)c1cccc(C#N)c1 ZINC000611388296 400390148 /nfs/dbraw/zinc/39/01/48/400390148.db2.gz ZRPVROLUADZKIK-CQSZACIVSA-N 0 3 320.396 3.354 20 30 DGEDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000611387988 400390375 /nfs/dbraw/zinc/39/03/75/400390375.db2.gz BMOREDSPEICFTM-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC(C)(C)[C@@H]1C1CC1 ZINC000578229725 400326603 /nfs/dbraw/zinc/32/66/03/400326603.db2.gz IYXQXKOKHJIVRP-HKUYNNGSSA-N 0 3 315.457 3.275 20 30 DGEDHN Cc1ncc([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)s1 ZINC000601966415 400390502 /nfs/dbraw/zinc/39/05/02/400390502.db2.gz AMJYVOJEEWWHLM-LLVKDONJSA-N 0 3 314.414 3.003 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000030532754 400328836 /nfs/dbraw/zinc/32/88/36/400328836.db2.gz FGRBSMDZEOTPML-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578447818 400329652 /nfs/dbraw/zinc/32/96/52/400329652.db2.gz WSJHATRPKORPMD-RHSMWYFYSA-N 0 3 321.852 3.041 20 30 DGEDHN CN(C)[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611390156 400391418 /nfs/dbraw/zinc/39/14/18/400391418.db2.gz GQULHUVUWMADLM-MSOLQXFVSA-N 0 3 309.413 3.421 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)c1ccccc1 ZINC000579478947 400338987 /nfs/dbraw/zinc/33/89/87/400338987.db2.gz FYGFMBINVBMZTD-LSTHTHJFSA-N 0 3 320.436 3.300 20 30 DGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCCC[C@H]1O ZINC000579599620 400341020 /nfs/dbraw/zinc/34/10/20/400341020.db2.gz USILRTCVYXWNFG-ZWKOTPCHSA-N 0 3 305.466 3.393 20 30 DGEDHN C[C@H](N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000589950145 400341575 /nfs/dbraw/zinc/34/15/75/400341575.db2.gz VMWKGPSSDQXVOQ-MRCXROJRSA-N 0 3 316.298 3.194 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000031232009 400342901 /nfs/dbraw/zinc/34/29/01/400342901.db2.gz FSVKZMUJKHMLJW-UHFFFAOYSA-N 0 3 307.397 3.191 20 30 DGEDHN CCN1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)C[C@H]1C ZINC000611084815 400343563 /nfs/dbraw/zinc/34/35/63/400343563.db2.gz WVFNAUDIGKLCAD-OAHLLOKOSA-N 0 3 308.429 3.254 20 30 DGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1CCC1 ZINC000111298733 400362652 /nfs/dbraw/zinc/36/26/52/400362652.db2.gz BACNENSEEUFEEL-LLVKDONJSA-N 0 3 317.458 3.167 20 30 DGEDHN C=CCCCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000117871946 400422384 /nfs/dbraw/zinc/42/23/84/400422384.db2.gz MAJCKASLIYIRHX-UHFFFAOYSA-N 0 3 308.853 3.303 20 30 DGEDHN CC(C)N1CC[C@@H](N(C)c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000590738475 400426449 /nfs/dbraw/zinc/42/64/49/400426449.db2.gz QNMSLFULMJATOJ-OAHLLOKOSA-N 0 3 300.450 3.170 20 30 DGEDHN N#Cc1ccccc1OC1CCC(N[C@@H]2CCn3ccnc32)CC1 ZINC000590778088 400433151 /nfs/dbraw/zinc/43/31/51/400433151.db2.gz IAFCLKADGMNCHU-OFLPRAFFSA-N 0 3 322.412 3.179 20 30 DGEDHN O=C(NCC#Cc1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000073446157 400451080 /nfs/dbraw/zinc/45/10/80/400451080.db2.gz OMECWIQKEQOTPQ-UHFFFAOYSA-N 0 3 318.420 3.064 20 30 DGEDHN C[C@H](CCN1CCC[C@@](C)(C#N)C1)N1CCC[C@@](C)(C#N)C1 ZINC000612162361 400500896 /nfs/dbraw/zinc/50/08/96/400500896.db2.gz JQPDWQMQAMKDJX-SQNIBIBYSA-N 0 3 302.466 3.016 20 30 DGEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1Cn1cccn1 ZINC000602596099 400508350 /nfs/dbraw/zinc/50/83/50/400508350.db2.gz GSCJPKSLCJSNNB-UHFFFAOYSA-N 0 3 324.428 3.066 20 30 DGEDHN C[C@H](CCC#N)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000602441017 400464368 /nfs/dbraw/zinc/46/43/68/400464368.db2.gz NCEHBYBOVDOBRM-MRXNPFEDSA-N 0 3 305.466 3.041 20 30 DGEDHN CN(C)Cc1cccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c1 ZINC000073727378 400466143 /nfs/dbraw/zinc/46/61/43/400466143.db2.gz KWBMOUCOKKVNBS-LJQANCHMSA-N 0 3 313.445 3.341 20 30 DGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000123458739 400469849 /nfs/dbraw/zinc/46/98/49/400469849.db2.gz WJDKNRMQSAPCNQ-QWHCGFSZSA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@@H](NCCC(=O)NCC1CCCCC1)c1cccc(C#N)c1 ZINC000591022979 400476731 /nfs/dbraw/zinc/47/67/31/400476731.db2.gz NJOUTEHZJKSANL-OAHLLOKOSA-N 0 3 313.445 3.295 20 30 DGEDHN CCN1CCN(Cc2ccc(NC[C@@H](C)CCC#N)cc2)CC1 ZINC000602486020 400477473 /nfs/dbraw/zinc/47/74/73/400477473.db2.gz WSOGEZVPHDRQSD-KRWDZBQOSA-N 0 3 314.477 3.176 20 30 DGEDHN CCN(CC)[C@@H](CNCc1cccc(C#N)n1)c1ccsc1 ZINC000602510108 400483600 /nfs/dbraw/zinc/48/36/00/400483600.db2.gz JYYXVJLXWMMHIO-KRWDZBQOSA-N 0 3 314.458 3.187 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000602525101 400488539 /nfs/dbraw/zinc/48/85/39/400488539.db2.gz QORABXWTLZTLRO-INIZCTEOSA-N 0 3 319.836 3.100 20 30 DGEDHN C[C@H](CCC#N)CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000602529913 400489390 /nfs/dbraw/zinc/48/93/90/400489390.db2.gz PUXYKIJPIJNKHO-OAHLLOKOSA-N 0 3 308.429 3.390 20 30 DGEDHN C[C@@H](CCC#N)CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000602529912 400489520 /nfs/dbraw/zinc/48/95/20/400489520.db2.gz PUXYKIJPIJNKHO-HNNXBMFYSA-N 0 3 308.429 3.390 20 30 DGEDHN Cc1cccc(CN(CC(C)C)C(=O)[C@H](N)CCCC#N)c1 ZINC000602533432 400491328 /nfs/dbraw/zinc/49/13/28/400491328.db2.gz YJIQTAOBOILQFS-QGZVFWFLSA-N 0 3 301.434 3.001 20 30 DGEDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000612118608 400495477 /nfs/dbraw/zinc/49/54/77/400495477.db2.gz MMWJXOYPPWJKOX-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN CC(C)C[C@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000591163844 400495898 /nfs/dbraw/zinc/49/58/98/400495898.db2.gz YPWJCLXGOYSOTK-GOSISDBHSA-N 0 3 313.445 3.341 20 30 DGEDHN COc1ccc(CN(CC2(CC#N)CC2)[C@H](CO)C(C)C)cc1 ZINC000602801076 400576924 /nfs/dbraw/zinc/57/69/24/400576924.db2.gz LHNLRDVFYPECOD-GOSISDBHSA-N 0 3 316.445 3.208 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CCOc2c(F)cccc21 ZINC000602624422 400515912 /nfs/dbraw/zinc/51/59/12/400515912.db2.gz BAVBFOCDWIDSQR-BBRMVZONSA-N 0 3 318.392 3.338 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000602626913 400516386 /nfs/dbraw/zinc/51/63/86/400516386.db2.gz BBCJDYBWGVGERM-CZUORRHYSA-N 0 3 318.392 3.338 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2c(n1)CCCC2 ZINC000602633720 400518741 /nfs/dbraw/zinc/51/87/41/400518741.db2.gz OLBLJBJYYAJZAS-HNNXBMFYSA-N 0 3 313.445 3.149 20 30 DGEDHN Cn1cc(-c2ccc(CN3CCC[C@H](CC#N)C3)s2)cn1 ZINC000597176208 400577877 /nfs/dbraw/zinc/57/78/77/400577877.db2.gz GLDHSVJIQUUZAP-CYBMUJFWSA-N 0 3 300.431 3.274 20 30 DGEDHN CC(C)(CNCc1cccc(C#N)n1)Oc1cc(F)cc(F)c1 ZINC000602649446 400523940 /nfs/dbraw/zinc/52/39/40/400523940.db2.gz IIULNMGPEPWPJE-UHFFFAOYSA-N 0 3 317.339 3.179 20 30 DGEDHN COc1ccccc1-c1noc([C@H](C)NC[C@@H](C)CCC#N)n1 ZINC000602649651 400523958 /nfs/dbraw/zinc/52/39/58/400523958.db2.gz YJAHULNUTWUYEF-STQMWFEESA-N 0 3 314.389 3.336 20 30 DGEDHN COC[C@H](C)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597178107 400578230 /nfs/dbraw/zinc/57/82/30/400578230.db2.gz VRCIWZXGIZTNMD-HOTGVXAUSA-N 0 3 302.418 3.226 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc(C#N)c(C)c1 ZINC000618192011 400547444 /nfs/dbraw/zinc/54/74/44/400547444.db2.gz PFRUQFPYMDAUFG-IBGZPJMESA-N 0 3 324.424 3.013 20 30 DGEDHN C[C@H](CCC#N)CN[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602726279 400553618 /nfs/dbraw/zinc/55/36/18/400553618.db2.gz PHZHCRLKYLVLCF-RISCZKNCSA-N 0 3 323.799 3.114 20 30 DGEDHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1cccc(C#N)c1 ZINC000075275979 400569340 /nfs/dbraw/zinc/56/93/40/400569340.db2.gz NBIKCTQGWLORNA-CQSZACIVSA-N 0 3 307.397 3.111 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC000144760329 400643180 /nfs/dbraw/zinc/64/31/80/400643180.db2.gz GCWMVCKOCMQRAW-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H](C)[C@H](C)C2)c1 ZINC000076110594 400635476 /nfs/dbraw/zinc/63/54/76/400635476.db2.gz XSFZQRJSSNEEDJ-IAGOWNOFSA-N 0 3 313.445 3.138 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000592323230 400635581 /nfs/dbraw/zinc/63/55/81/400635581.db2.gz MHUSZWLMVZSXRK-IBGZPJMESA-N 0 3 314.473 3.366 20 30 DGEDHN CN(C)CCN(C(=O)Nc1cc(F)cc(C#N)c1)C1CCCC1 ZINC000603075647 400635770 /nfs/dbraw/zinc/63/57/70/400635770.db2.gz YEMVDTIIZCNHBX-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN Cc1ccc([C@@H](C)N(C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000047959762 400636040 /nfs/dbraw/zinc/63/60/40/400636040.db2.gz LQXWYJLDWBENRY-APWZRJJASA-N 0 3 324.424 3.299 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3ccc(C)cc32)CC1 ZINC000592352063 400636586 /nfs/dbraw/zinc/63/65/86/400636586.db2.gz WLMODKQQYDCINC-UHFFFAOYSA-N 0 3 313.445 3.108 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000618594644 400636722 /nfs/dbraw/zinc/63/67/22/400636722.db2.gz STLGZYDEZGUVRE-INIZCTEOSA-N 0 3 314.429 3.422 20 30 DGEDHN C=C[C@@H](S[C@H]1CCCN(Cc2ccccc2)C1)C(=O)OC ZINC000592354460 400637329 /nfs/dbraw/zinc/63/73/29/400637329.db2.gz CESQHLZDQQGZBN-JKSUJKDBSA-N 0 3 305.443 3.112 20 30 DGEDHN C[C@@H]1CN(CC2(CC#N)CC2)C(C)(C)CN1CC1(CC#N)CC1 ZINC000602832851 400586785 /nfs/dbraw/zinc/58/67/85/400586785.db2.gz RUVOILXNQBKDNW-MRXNPFEDSA-N 0 3 314.477 3.159 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000597204272 400587240 /nfs/dbraw/zinc/58/72/40/400587240.db2.gz GJXALWCFELVZCM-IBGZPJMESA-N 0 3 314.429 3.106 20 30 DGEDHN COC(=O)c1ccc(CNC2CCC(C)(C#N)CC2)c(F)c1 ZINC000597222454 400591627 /nfs/dbraw/zinc/59/16/27/400591627.db2.gz NTBAQTQESJVBLC-UHFFFAOYSA-N 0 3 304.365 3.174 20 30 DGEDHN COc1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1C#N ZINC000597226729 400592472 /nfs/dbraw/zinc/59/24/72/400592472.db2.gz XGOQGAZHLKBTMQ-QZTJIDSGSA-N 0 3 314.429 3.348 20 30 DGEDHN Cc1cccc2c1CCC[C@H]2NCc1cnc2c(C#N)cnn2c1 ZINC000597241693 400598178 /nfs/dbraw/zinc/59/81/78/400598178.db2.gz VJCMOARYOPBGNY-GOSISDBHSA-N 0 3 317.396 3.077 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@](C)(CC)c1ccc(F)cc1 ZINC000602924240 400609399 /nfs/dbraw/zinc/60/93/99/400609399.db2.gz MMFTXWPLGOKODZ-KSSFIOAISA-N 0 3 319.424 3.049 20 30 DGEDHN Cc1ccc(C(=O)NC2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000602931527 400611726 /nfs/dbraw/zinc/61/17/26/400611726.db2.gz CNNOBQRKCJKMJU-UHFFFAOYSA-N 0 3 313.445 3.129 20 30 DGEDHN CCCN(C)[C@H](CNC(=O)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000597639931 400655428 /nfs/dbraw/zinc/65/54/28/400655428.db2.gz SPZGPFBCZSUNJH-XJKSGUPXSA-N 0 3 321.852 3.389 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000076871403 400677366 /nfs/dbraw/zinc/67/73/66/400677366.db2.gz MQBAAGORIXUKRT-QGZVFWFLSA-N 0 3 312.392 3.424 20 30 DGEDHN CCN(C)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742998 400679928 /nfs/dbraw/zinc/67/99/28/400679928.db2.gz UUCQYACPGYMCNU-GOSISDBHSA-N 0 3 306.413 3.186 20 30 DGEDHN Cc1ccc2ncc(CN[C@H]3CCc4cc(C#N)ccc43)n2c1 ZINC000618743163 400680118 /nfs/dbraw/zinc/68/01/18/400680118.db2.gz YMKYVBZXOQKADW-SFHVURJKSA-N 0 3 302.381 3.292 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618741832 400680252 /nfs/dbraw/zinc/68/02/52/400680252.db2.gz MUMXIGQXGDBMCG-LJQANCHMSA-N 0 3 305.381 3.294 20 30 DGEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc2c1OCO2 ZINC000618741748 400680269 /nfs/dbraw/zinc/68/02/69/400680269.db2.gz MGJQQLUBVMBGNZ-INIZCTEOSA-N 0 3 322.364 3.073 20 30 DGEDHN CCCCN(C)C(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000052186239 400721892 /nfs/dbraw/zinc/72/18/92/400721892.db2.gz SFLDYJGZNAAOQY-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN N#Cc1ccccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000592998387 400729774 /nfs/dbraw/zinc/72/97/74/400729774.db2.gz TWQHSERZXLEXLM-NWDGAFQWSA-N 0 3 312.291 3.244 20 30 DGEDHN N#Cc1ccsc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593003130 400730795 /nfs/dbraw/zinc/73/07/95/400730795.db2.gz KPBMNCKRPAQQGT-ZJUUUORDSA-N 0 3 318.320 3.306 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618807991 400693046 /nfs/dbraw/zinc/69/30/46/400693046.db2.gz YHEABOCGVOXKMG-BLLLJJGKSA-N 0 3 300.402 3.255 20 30 DGEDHN C[C@@H](CNc1c(C#N)nnc2ccccc21)N1CCCC[C@@H]1C ZINC000077189678 400693410 /nfs/dbraw/zinc/69/34/10/400693410.db2.gz OOOPTHWWRQTOSD-KBPBESRZSA-N 0 3 309.417 3.176 20 30 DGEDHN CN(CCCn1c2ccccc2[nH]c1=O)Cc1ccc(C#N)cc1 ZINC000603581463 400701592 /nfs/dbraw/zinc/70/15/92/400701592.db2.gz XJRZNTNLERVCTL-UHFFFAOYSA-N 0 3 320.396 3.136 20 30 DGEDHN COCCN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000051376116 400701717 /nfs/dbraw/zinc/70/17/17/400701717.db2.gz CADGFFCOXRDZNH-UHFFFAOYSA-N 0 3 310.397 3.086 20 30 DGEDHN CN(CCOc1cccc(C#N)c1)CCOc1ccccc1F ZINC000051500744 400703535 /nfs/dbraw/zinc/70/35/35/400703535.db2.gz NOHZEHKBGNWZTM-UHFFFAOYSA-N 0 3 314.360 3.087 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000078605802 400814444 /nfs/dbraw/zinc/81/44/44/400814444.db2.gz GZIQWTBKBTWORS-CABCVRRESA-N 0 3 306.475 3.383 20 30 DGEDHN CCn1cc(CN(CCOc2cccc(C#N)c2)C(C)C)cn1 ZINC000593083740 400757004 /nfs/dbraw/zinc/75/70/04/400757004.db2.gz XBLNIALBHCSABR-UHFFFAOYSA-N 0 3 312.417 3.064 20 30 DGEDHN CC(C#N)C(=O)N1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000598231944 400766791 /nfs/dbraw/zinc/76/67/91/400766791.db2.gz VDZDNPAKGBNFII-FZMZJTMJSA-N 0 3 306.793 3.178 20 30 DGEDHN Cc1noc(C)c1CNCCSCc1ccccc1C#N ZINC000170670815 400769279 /nfs/dbraw/zinc/76/92/79/400769279.db2.gz LZILJJQKLCEVAM-UHFFFAOYSA-N 0 3 301.415 3.186 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613734719 400782590 /nfs/dbraw/zinc/78/25/90/400782590.db2.gz TUWGTMPOXAOIDU-HOCLYGCPSA-N 0 3 311.429 3.038 20 30 DGEDHN N#CC(C(=O)c1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000078380215 400795344 /nfs/dbraw/zinc/79/53/44/400795344.db2.gz YSBSPSCNFGKZGA-ZDUSSCGKSA-N 0 3 314.776 3.148 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2CCC(C)(C)CC2)CC1 ZINC000179171845 400876546 /nfs/dbraw/zinc/87/65/46/400876546.db2.gz DASHUICZQKFGAL-UHFFFAOYSA-N 0 3 307.482 3.152 20 30 DGEDHN Cc1ccc([C@@H]2CSCCN2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598592951 400838724 /nfs/dbraw/zinc/83/87/24/400838724.db2.gz OLFYZAYCXUNFGQ-IRXDYDNUSA-N 0 3 318.486 3.386 20 30 DGEDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598598953 400841447 /nfs/dbraw/zinc/84/14/47/400841447.db2.gz KJYINTOBJIZCQJ-INIZCTEOSA-N 0 3 304.434 3.206 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000598618053 400843992 /nfs/dbraw/zinc/84/39/92/400843992.db2.gz UALHTEPITQJKAH-VXGBXAGGSA-N 0 3 306.372 3.198 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000598619010 400844649 /nfs/dbraw/zinc/84/46/49/400844649.db2.gz UREKXGLPWHUQDK-GDBMZVCRSA-N 0 3 306.837 3.430 20 30 DGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)CC(C)(C)C#N ZINC000598622035 400845952 /nfs/dbraw/zinc/84/59/52/400845952.db2.gz KJSIPBSHAZRDQH-ZDUSSCGKSA-N 0 3 324.852 3.474 20 30 DGEDHN CC(C)[C@H](NC1CCN(CC#N)CC1)c1cc(F)ccc1F ZINC000619465577 400853299 /nfs/dbraw/zinc/85/32/99/400853299.db2.gz DTGGSQGXXDYIGF-KRWDZBQOSA-N 0 3 307.388 3.239 20 30 DGEDHN N#Cc1ccccc1CN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000598679697 400856708 /nfs/dbraw/zinc/85/67/08/400856708.db2.gz LCQCAGHJKSYPQC-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN CC(C)[C@H](NC[C@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715919 400864207 /nfs/dbraw/zinc/86/42/07/400864207.db2.gz VCHBECHCAPUIRT-CJNGLKHVSA-N 0 3 314.433 3.150 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000055406373 400867309 /nfs/dbraw/zinc/86/73/09/400867309.db2.gz ZMPVFDRULPTLME-HZPDHXFCSA-N 0 3 316.445 3.102 20 30 DGEDHN CC(C)(CCC#N)CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000599058538 400943096 /nfs/dbraw/zinc/94/30/96/400943096.db2.gz JCHWMURAIYHLAZ-INIZCTEOSA-N 0 3 320.481 3.023 20 30 DGEDHN C[C@@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(C#N)c(F)c1 ZINC000599066593 400946217 /nfs/dbraw/zinc/94/62/17/400946217.db2.gz STXIFJVRXKCCKE-RISCZKNCSA-N 0 3 311.351 3.077 20 30 DGEDHN C=CC[C@@H](C)NCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000182214858 400892367 /nfs/dbraw/zinc/89/23/67/400892367.db2.gz IDNRSDADYGMFHD-CQSZACIVSA-N 0 3 313.401 3.103 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)CCC#N)c1cccc(Cl)c1 ZINC000182584542 400893458 /nfs/dbraw/zinc/89/34/58/400893458.db2.gz HTIICZDFZBZLTO-HNNXBMFYSA-N 0 3 307.825 3.143 20 30 DGEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000182589365 400894648 /nfs/dbraw/zinc/89/46/48/400894648.db2.gz ZNYDORGTYRFHPV-DOTOQJQBSA-N 0 3 321.852 3.435 20 30 DGEDHN CC(C)O[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000593788243 400911249 /nfs/dbraw/zinc/91/12/49/400911249.db2.gz ZCWHEGBXBPVEFA-ZWKOTPCHSA-N 0 3 314.429 3.175 20 30 DGEDHN COc1cccc([C@H](CNc2cccc(F)c2C#N)N(C)C)c1 ZINC000198223613 400929191 /nfs/dbraw/zinc/92/91/91/400929191.db2.gz LCOFDJNOYLCQON-SFHVURJKSA-N 0 3 313.376 3.421 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCc1cccc(C#N)c1F)C(C)C ZINC000594046846 400963661 /nfs/dbraw/zinc/96/36/61/400963661.db2.gz UEZYTDZBZMOGOE-OAHLLOKOSA-N 0 3 306.381 3.153 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594069125 400975340 /nfs/dbraw/zinc/97/53/40/400975340.db2.gz CWDBAKJGRUQIEW-NVXWUHKLSA-N 0 3 312.417 3.005 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000080676813 400977536 /nfs/dbraw/zinc/97/75/36/400977536.db2.gz ANFZVUXCYTXLTE-OAHLLOKOSA-N 0 3 300.793 3.321 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000080676807 400977778 /nfs/dbraw/zinc/97/77/78/400977778.db2.gz ANFZVUXCYTXLTE-HNNXBMFYSA-N 0 3 300.793 3.321 20 30 DGEDHN Cc1ccc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)cc1C#N ZINC000599438134 401051099 /nfs/dbraw/zinc/05/10/99/401051099.db2.gz NAFPMTHTMPVFNQ-AWEZNQCLSA-N 0 3 302.418 3.276 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000058451768 401053782 /nfs/dbraw/zinc/05/37/82/401053782.db2.gz UOCCRMSLNQIOEQ-UKRRQHHQSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N1CCCCCC1 ZINC000081408444 401062809 /nfs/dbraw/zinc/06/28/09/401062809.db2.gz BKOWBJCTZZVTEP-YJBOKZPZSA-N 0 3 305.466 3.230 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000594428586 401064084 /nfs/dbraw/zinc/06/40/84/401064084.db2.gz MYERRYHQXSIHRS-ROUUACIJSA-N 0 3 313.445 3.021 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000248210286 401067609 /nfs/dbraw/zinc/06/76/09/401067609.db2.gz CUTRARHJYWPMNR-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594432840 401067611 /nfs/dbraw/zinc/06/76/11/401067611.db2.gz CARFJDCSJXILQX-QWRGUYRKSA-N 0 3 313.854 3.380 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000058874641 401077197 /nfs/dbraw/zinc/07/71/97/401077197.db2.gz CGIMHNURJXSJTO-UHFFFAOYSA-N 0 3 312.457 3.142 20 30 DGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599351031 401030086 /nfs/dbraw/zinc/03/00/86/401030086.db2.gz VIRUINSSGJQBHO-CABCVRRESA-N 0 3 302.418 3.179 20 30 DGEDHN CCC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599352376 401032122 /nfs/dbraw/zinc/03/21/22/401032122.db2.gz CKOFOKJOCGMFQM-BBRMVZONSA-N 0 3 308.372 3.450 20 30 DGEDHN CC(C)(C)CNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000599426609 401046968 /nfs/dbraw/zinc/04/69/68/401046968.db2.gz JWECTRIXPXGHFC-MRXNPFEDSA-N 0 3 301.434 3.173 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000599646683 401101831 /nfs/dbraw/zinc/10/18/31/401101831.db2.gz JXARPLCPGCUKBN-RCCFBDPRSA-N 0 3 312.413 3.030 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CCCC4(CC4)CC3)o2)c1 ZINC000599673306 401108333 /nfs/dbraw/zinc/10/83/33/401108333.db2.gz OKWOMYKGLACKLE-UHFFFAOYSA-N 0 3 308.385 3.374 20 30 DGEDHN N#CCc1ccc(CN2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677446 401109775 /nfs/dbraw/zinc/10/97/75/401109775.db2.gz JIXJTXVRRQGJMO-UHFFFAOYSA-N 0 3 301.393 3.377 20 30 DGEDHN COC[C@@H](C)N(Cc1ccnc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000599683306 401114205 /nfs/dbraw/zinc/11/42/05/401114205.db2.gz QVPLTILSGOXVHX-FOIQADDNSA-N 0 3 321.424 3.478 20 30 DGEDHN CN(CCOc1ccccc1F)CCOc1ccccc1C#N ZINC000060466024 401120209 /nfs/dbraw/zinc/12/02/09/401120209.db2.gz WDCSYSOOQYPISE-UHFFFAOYSA-N 0 3 314.360 3.087 20 30 DGEDHN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000599699313 401121847 /nfs/dbraw/zinc/12/18/47/401121847.db2.gz YBCFNUOFQGYPJX-XOIINTDNSA-N 0 3 300.402 3.029 20 30 DGEDHN Cc1ccc([C@H](C)CN2CCN(c3cnccc3C#N)CC2)cc1 ZINC000600161639 401200215 /nfs/dbraw/zinc/20/02/15/401200215.db2.gz KHKDZMRQHIFWGH-QGZVFWFLSA-N 0 3 320.440 3.187 20 30 DGEDHN COc1cc(OC)c(CNCCc2ccc(C#N)cc2)cc1F ZINC000594956653 401207385 /nfs/dbraw/zinc/20/73/85/401207385.db2.gz XTXYNMSSVQHREE-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN C=CCC1(NCc2cc(=O)n3ccsc3n2)CCCCC1 ZINC000625935531 401259099 /nfs/dbraw/zinc/25/90/99/401259099.db2.gz CZUFZGCLGWHBJJ-UHFFFAOYSA-N 0 3 303.431 3.125 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(Br)c(F)c1F ZINC000623483444 401529149 /nfs/dbraw/zinc/52/91/49/401529149.db2.gz GNTYNRAYUDBRTB-SECBINFHSA-N 0 3 320.177 3.002 20 30 DGEDHN N#Cc1cccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186588339 165050470 /nfs/dbraw/zinc/05/04/70/165050470.db2.gz YMJKFLCEQMUVMD-UHFFFAOYSA-N 0 3 324.399 3.267 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1cc(C#N)ccc1F)C(C)C ZINC000186716748 165056585 /nfs/dbraw/zinc/05/65/85/165056585.db2.gz YJIABCGAKXBZHA-QGZVFWFLSA-N 0 3 306.381 3.155 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)s1 ZINC000187994464 165109198 /nfs/dbraw/zinc/10/91/98/165109198.db2.gz VXLSGECVSZNUNA-OAHLLOKOSA-N 0 3 300.427 3.309 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000192074612 165280461 /nfs/dbraw/zinc/28/04/61/165280461.db2.gz JRVDQJXPTOMKPZ-SJORKVTESA-N 0 3 302.393 3.477 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000192074595 165281469 /nfs/dbraw/zinc/28/14/69/165281469.db2.gz JRVDQJXPTOMKPZ-DLBZAZTESA-N 0 3 302.393 3.477 20 30 DGEDHN C[C@@H](O)C[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000269417008 432171305 /nfs/dbraw/zinc/17/13/05/432171305.db2.gz KRYPMMZUQQCWHT-RDTXWAMCSA-N 0 3 312.388 3.342 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000171722881 432165036 /nfs/dbraw/zinc/16/50/36/432165036.db2.gz USNCLLZKOIVBDL-UHFFFAOYSA-N 0 3 318.804 3.466 20 30 DGEDHN C[C@H]1CCN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000246830333 432170611 /nfs/dbraw/zinc/17/06/11/432170611.db2.gz YEMSVHNOBVGNME-PKOBYXMFSA-N 0 3 310.445 3.026 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC3(CCCCC3)C2)CC1 ZINC000171907809 432183050 /nfs/dbraw/zinc/18/30/50/432183050.db2.gz HLUJQPCPICJWEN-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190886533 432197277 /nfs/dbraw/zinc/19/72/77/432197277.db2.gz PJUXEJKXCGUESS-GFCCVEGCSA-N 0 3 321.311 3.268 20 30 DGEDHN COCc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190925927 432201831 /nfs/dbraw/zinc/20/18/31/432201831.db2.gz LBALQLSYLKKGNQ-HNNXBMFYSA-N 0 3 317.348 3.266 20 30 DGEDHN C[C@H](NCCOc1ncccc1Cl)c1ccc(C#N)cc1 ZINC000151044780 432214050 /nfs/dbraw/zinc/21/40/50/432214050.db2.gz IDMMFDQSIYQKMC-LBPRGKRZSA-N 0 3 301.777 3.336 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000182697200 432219642 /nfs/dbraw/zinc/21/96/42/432219642.db2.gz SDIWSYSHRZFPTK-ZWKOTPCHSA-N 0 3 314.335 3.456 20 30 DGEDHN C[C@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1cccs1 ZINC000127260746 227003271 /nfs/dbraw/zinc/00/32/71/227003271.db2.gz HCYWPLFQEIUNFJ-NXYGQSRBSA-N 0 3 312.438 3.169 20 30 DGEDHN N#CCC[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000130599152 227021429 /nfs/dbraw/zinc/02/14/29/227021429.db2.gz YFPULFGPZJFMLS-HNNXBMFYSA-N 0 3 310.353 3.256 20 30 DGEDHN C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000297479214 227222069 /nfs/dbraw/zinc/22/20/69/227222069.db2.gz ZBYOJPWSCGNGDC-SJCJKPOMSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)nc1 ZINC000180555902 228357608 /nfs/dbraw/zinc/35/76/08/228357608.db2.gz CZRIUIPPZFZXPT-LBPRGKRZSA-N 0 3 301.777 3.488 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185798135 228396782 /nfs/dbraw/zinc/39/67/82/228396782.db2.gz NXOQTSBKNIAEFP-GDBMZVCRSA-N 0 3 312.392 3.492 20 30 DGEDHN CN(C)[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F ZINC000185835032 228398498 /nfs/dbraw/zinc/39/84/98/228398498.db2.gz ZPGBQIKQBSMXBZ-HEHGZKQESA-N 0 3 307.388 3.239 20 30 DGEDHN Cc1cc([C@H](C)NC(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)o1 ZINC000330771644 229002896 /nfs/dbraw/zinc/00/28/96/229002896.db2.gz OTOBNUFYRBRPBV-STQMWFEESA-N 0 3 305.422 3.111 20 30 DGEDHN Cc1nn(C(C)(C)C)cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330979425 229011961 /nfs/dbraw/zinc/01/19/61/229011961.db2.gz OZYLRQSQFVTZCD-UHFFFAOYSA-N 0 3 320.481 3.373 20 30 DGEDHN C[C@H](O)C[C@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331342479 229030236 /nfs/dbraw/zinc/03/02/36/229030236.db2.gz KRTQSKYHMYZQCW-GJZGRUSLSA-N 0 3 304.434 3.137 20 30 DGEDHN C[C@H](C[C@H](C)O)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331342478 229030279 /nfs/dbraw/zinc/03/02/79/229030279.db2.gz KRTQSKYHMYZQCW-CABCVRRESA-N 0 3 304.434 3.137 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000341204760 229094940 /nfs/dbraw/zinc/09/49/40/229094940.db2.gz FPFMVUQXCFCXHX-MPGHIAIKSA-N 0 3 301.434 3.089 20 30 DGEDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)CCC#N ZINC000342310466 229111082 /nfs/dbraw/zinc/11/10/82/229111082.db2.gz USLDXULCHASLJQ-UHFFFAOYSA-N 0 3 305.378 3.413 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](OCc3ccccc3F)C2)C1 ZINC000339141315 229074850 /nfs/dbraw/zinc/07/48/50/229074850.db2.gz OTOMLFIPBUPSSN-PVAVHDDUSA-N 0 3 302.393 3.499 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000343977223 229132583 /nfs/dbraw/zinc/13/25/83/229132583.db2.gz LGCOFCMXEJGVJM-LLVKDONJSA-N 0 3 321.218 3.315 20 30 DGEDHN Cc1nc(COc2ccc(CNCCCC#N)cc2)cs1 ZINC000344331179 229136086 /nfs/dbraw/zinc/13/60/86/229136086.db2.gz ATZHMCSZTOJWAW-UHFFFAOYSA-N 0 3 301.415 3.424 20 30 DGEDHN COC1(CNC(=O)C(C)C#N)CCC(c2ccccc2)CC1 ZINC000345536557 229153527 /nfs/dbraw/zinc/15/35/27/229153527.db2.gz SZNRYTGJRXSFPN-NXVRBGIVSA-N 0 3 300.402 3.005 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OC1CCCC1 ZINC000345813520 229157268 /nfs/dbraw/zinc/15/72/68/229157268.db2.gz JTURPIRIVVDRRN-QWHCGFSZSA-N 0 3 316.401 3.353 20 30 DGEDHN COc1cccc(C2(NCCC(C)(C)C#N)CCOCC2)c1F ZINC000347126613 229181531 /nfs/dbraw/zinc/18/15/31/229181531.db2.gz LKABAJBRTJEJBC-UHFFFAOYSA-N 0 3 320.408 3.369 20 30 DGEDHN Cc1cccc(Oc2cc(CNC(=O)C(C)C#N)ccn2)c1C ZINC000347727317 229191728 /nfs/dbraw/zinc/19/17/28/229191728.db2.gz UAPVWIOVAQONPI-ZDUSSCGKSA-N 0 3 309.369 3.267 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC23CCCC3)cc1 ZINC000348511004 229202272 /nfs/dbraw/zinc/20/22/72/229202272.db2.gz RIECFEBLHMYNOI-IRXDYDNUSA-N 0 3 307.397 3.080 20 30 DGEDHN C[C@H](CN(C)C)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000348745489 229205703 /nfs/dbraw/zinc/20/57/03/229205703.db2.gz BRRYDMMPGXDDIS-MRXNPFEDSA-N 0 3 321.424 3.158 20 30 DGEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1Br ZINC000349797099 229217586 /nfs/dbraw/zinc/21/75/86/229217586.db2.gz ANHYDPFHHCKYFU-JQWIXIFHSA-N 0 3 309.207 3.240 20 30 DGEDHN N#CC(C(=O)Nc1cc(Cl)ccc1Cl)c1ccncn1 ZINC000352304628 229250310 /nfs/dbraw/zinc/25/03/10/229250310.db2.gz GYJARYXPTACGSX-SECBINFHSA-N 0 3 307.140 3.029 20 30 DGEDHN N#CC(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccncn1 ZINC000354458698 229296573 /nfs/dbraw/zinc/29/65/73/229296573.db2.gz CKIWKAFVRQNIEM-INIZCTEOSA-N 0 3 316.320 3.154 20 30 DGEDHN C[C@H]1CCCN(CCNc2cc(C(F)(F)F)cnc2C#N)C1 ZINC000413071171 230125254 /nfs/dbraw/zinc/12/52/54/230125254.db2.gz ZKPOWBPCHXQBCF-NSHDSACASA-N 0 3 312.339 3.116 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1F ZINC000413238980 230162312 /nfs/dbraw/zinc/16/23/12/230162312.db2.gz SWYYEJIZDUUNLK-GUYCJALGSA-N 0 3 310.376 3.025 20 30 DGEDHN Cc1ccc([C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000302218114 230172217 /nfs/dbraw/zinc/17/22/17/230172217.db2.gz QJQCJHDCKXSJTB-GOSISDBHSA-N 0 3 324.384 3.490 20 30 DGEDHN Cc1cc(CN2CC[C@H](OCc3ccncc3)C2)ccc1C#N ZINC000347071186 264151777 /nfs/dbraw/zinc/15/17/77/264151777.db2.gz DOGAJDDAAUFDGK-IBGZPJMESA-N 0 3 307.397 3.053 20 30 DGEDHN CC[C@H](CO)N(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000347349900 264203111 /nfs/dbraw/zinc/20/31/11/264203111.db2.gz QCQAPCVUMKMKSK-LJQANCHMSA-N 0 3 324.424 3.210 20 30 DGEDHN COc1cc([C@@H](C)NCCCOc2cccc(C#N)c2)ccn1 ZINC000347549828 264239405 /nfs/dbraw/zinc/23/94/05/264239405.db2.gz BIRAAGWIRMJWML-CQSZACIVSA-N 0 3 311.385 3.082 20 30 DGEDHN COC(=O)C[C@@H](NCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000347979244 264318243 /nfs/dbraw/zinc/31/82/43/264318243.db2.gz BVTBHZVLMXNCBO-QGZVFWFLSA-N 0 3 318.392 3.299 20 30 DGEDHN N#Cc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1F ZINC000361028482 270004465 /nfs/dbraw/zinc/00/44/65/270004465.db2.gz HVAVOFCBWIIRGG-HOCLYGCPSA-N 0 3 302.393 3.336 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(C(N)=O)cc1 ZINC000360664009 270004467 /nfs/dbraw/zinc/00/44/67/270004467.db2.gz NCKASNZDTBLADG-IBGZPJMESA-N 0 3 319.408 3.214 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@H]2CCC[C@@H](C)C2)c1C#N ZINC000533774950 270004902 /nfs/dbraw/zinc/00/49/02/270004902.db2.gz GCWLVAQEFJFLMS-HIFRSBDPSA-N 0 3 300.402 3.355 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1ccc(C#N)c(OC)c1 ZINC000348880479 266046177 /nfs/dbraw/zinc/04/61/77/266046177.db2.gz VQCLSNOMMAXPJC-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)CO ZINC000354435887 266135904 /nfs/dbraw/zinc/13/59/04/266135904.db2.gz QEQPZWZJGAXOQX-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN CCOC[C@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359861113 266284956 /nfs/dbraw/zinc/28/49/56/266284956.db2.gz NOHXPFGOCWKPOE-FOIQADDNSA-N 0 3 324.424 3.273 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)CCOc2ccccc2C#N)C1(C)C ZINC000354445996 266292575 /nfs/dbraw/zinc/29/25/75/266292575.db2.gz DYIXMLPWYIAFRT-IAGOWNOFSA-N 0 3 302.418 3.072 20 30 DGEDHN CC[C@@H](C)[C@H](C)N(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000355818374 266367755 /nfs/dbraw/zinc/36/77/55/266367755.db2.gz IJSSHVSPMGHTHG-CABCVRRESA-N 0 3 313.445 3.073 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374857263 267000814 /nfs/dbraw/zinc/00/08/14/267000814.db2.gz NAWFJBXOUYYBPT-IFXJQAMLSA-N 0 3 310.372 3.352 20 30 DGEDHN CCCCCN(CC(=O)NCc1ccc(C#N)cc1)C(C)C ZINC000521820503 267001322 /nfs/dbraw/zinc/00/13/22/267001322.db2.gz DQGWGKCDMCUASU-UHFFFAOYSA-N 0 3 301.434 3.075 20 30 DGEDHN C[C@@H]1C[C@H](C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978111 267086295 /nfs/dbraw/zinc/08/62/95/267086295.db2.gz MRASCLXFAWXYDO-RVKKMQEKSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000359852935 267132394 /nfs/dbraw/zinc/13/23/94/267132394.db2.gz SDJQSGZRQZQJHH-KXBFYZLASA-N 0 3 321.424 3.081 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353246179 267146273 /nfs/dbraw/zinc/14/62/73/267146273.db2.gz YXJYJURXQYPJNT-MLGOLLRUSA-N 0 3 300.402 3.255 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCCC[C@H]1C ZINC000353535325 267159292 /nfs/dbraw/zinc/15/92/92/267159292.db2.gz XEWQDQUFHGJXKB-CHWSQXEVSA-N 0 3 318.396 3.082 20 30 DGEDHN C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000360015622 267161152 /nfs/dbraw/zinc/16/11/52/267161152.db2.gz KCCDLCXBRYMBQD-OAGGEKHMSA-N 0 3 313.445 3.041 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131746042 267206612 /nfs/dbraw/zinc/20/66/12/267206612.db2.gz MMLBMIRLXNGQNY-NVXWUHKLSA-N 0 3 314.429 3.137 20 30 DGEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc(F)cc2C#N)C1 ZINC000362231172 267210325 /nfs/dbraw/zinc/21/03/25/267210325.db2.gz ZPNNWMAYKFVEQT-SCLBCKFNSA-N 0 3 304.409 3.364 20 30 DGEDHN Cc1cc(CNCc2cccc(C#N)c2)cc(N2CCCC2)n1 ZINC000353195950 267326411 /nfs/dbraw/zinc/32/64/11/267326411.db2.gz SNRXZQUHYCLYTK-UHFFFAOYSA-N 0 3 306.413 3.152 20 30 DGEDHN COC(=O)CCC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000531002427 267359105 /nfs/dbraw/zinc/35/91/05/267359105.db2.gz ZLFXYEDUQDEOHY-CQSZACIVSA-N 0 3 300.402 3.284 20 30 DGEDHN CO[C@H](CNCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 ZINC000191238120 432238415 /nfs/dbraw/zinc/23/84/15/432238415.db2.gz NCHLWTKAJJUQQO-MRXNPFEDSA-N 0 3 303.793 3.027 20 30 DGEDHN COc1cc(CNCCO[C@H]2CCCC[C@@H]2C)ccc1C#N ZINC000440811515 267593701 /nfs/dbraw/zinc/59/37/01/267593701.db2.gz YJHTXINSIAUCLM-YOEHRIQHSA-N 0 3 302.418 3.252 20 30 DGEDHN Cn1cc(-c2ccccc2CNCc2ccc(C#N)cc2)cn1 ZINC000372861879 267774702 /nfs/dbraw/zinc/77/47/02/267774702.db2.gz DEQHFDSQNYYAHF-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN N#Cc1ccc(C2=CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000367207817 268054854 /nfs/dbraw/zinc/05/48/54/268054854.db2.gz FNHKSKUHQQAHDI-FQEVSTJZSA-N 0 3 304.393 3.381 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000371795511 268073973 /nfs/dbraw/zinc/07/39/73/268073973.db2.gz HRDLDILWKPOAOT-CYBMUJFWSA-N 0 3 315.804 3.421 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H]2c2ccccc2)cc1 ZINC000348540568 268137830 /nfs/dbraw/zinc/13/78/30/268137830.db2.gz YDURULTYPBIUFV-GOSISDBHSA-N 0 3 305.381 3.334 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H](O)CCc1ccccc1)CC2 ZINC000353657315 268223102 /nfs/dbraw/zinc/22/31/02/268223102.db2.gz JAPNVGILLRHLLN-UYAOXDASSA-N 0 3 306.409 3.129 20 30 DGEDHN C[C@H](CC(=O)Nc1cccc(Cl)c1)NCC1(CC#N)CC1 ZINC000430743891 533687662 /nfs/dbraw/zinc/68/76/62/533687662.db2.gz SMBIHIYGFDYGDJ-GFCCVEGCSA-N 0 3 305.809 3.341 20 30 DGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000151426717 432245561 /nfs/dbraw/zinc/24/55/61/432245561.db2.gz PRUKCWGUMAEELE-UHFFFAOYSA-N 0 3 308.385 3.043 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)c1 ZINC000181031907 274212878 /nfs/dbraw/zinc/21/28/78/274212878.db2.gz WDEDSUHQGYLASN-HNNXBMFYSA-N 0 3 322.412 3.200 20 30 DGEDHN N#Cc1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1C(F)(F)F ZINC000166894773 274920377 /nfs/dbraw/zinc/92/03/77/274920377.db2.gz KQBXAADYDRJPKO-CQSZACIVSA-N 0 3 307.319 3.028 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CC=CC3)C2)cc1C(F)(F)F ZINC000266207975 274924891 /nfs/dbraw/zinc/92/48/91/274924891.db2.gz FMXJIJPAICFDQX-AWEZNQCLSA-N 0 3 307.319 3.028 20 30 DGEDHN O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000451421255 275053644 /nfs/dbraw/zinc/05/36/44/275053644.db2.gz ODGICIJWMBKGDQ-KZNAEPCWSA-N 0 3 303.833 3.317 20 30 DGEDHN Cc1nc(NCCCN2CCc3ccccc3C2)ccc1C#N ZINC000487932805 429175258 /nfs/dbraw/zinc/17/52/58/429175258.db2.gz SPPOYUSPUZNPLF-UHFFFAOYSA-N 0 3 306.413 3.122 20 30 DGEDHN CCN(CC)C(=O)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417378778 276318407 /nfs/dbraw/zinc/31/84/07/276318407.db2.gz FQVCWSZQIGHQNB-KSSFIOAISA-N 0 3 313.445 3.172 20 30 DGEDHN C=C(C)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000453330377 276857462 /nfs/dbraw/zinc/85/74/62/276857462.db2.gz YNKFZQYWADNYJP-DLBZAZTESA-N 0 3 308.853 3.268 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)OCC ZINC000274600616 277799981 /nfs/dbraw/zinc/79/99/81/277799981.db2.gz HOCVPKTXXIXHHY-AYBZRNKSSA-N 0 3 318.461 3.165 20 30 DGEDHN COc1cccc(/C=N/C[C@H](c2ccc(C)cc2)N(C)C)c1O ZINC000067005671 278007192 /nfs/dbraw/zinc/00/71/92/278007192.db2.gz PKFJIYZLDNLCMK-XNHPLOEXSA-N 0 3 312.413 3.431 20 30 DGEDHN COc1cccc2c1CCN(CCCC1(C#N)CCOCC1)C2 ZINC000281509605 278027730 /nfs/dbraw/zinc/02/77/30/278027730.db2.gz YPCNDSWEZRNRON-UHFFFAOYSA-N 0 3 314.429 3.154 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(C1)CCCCC2 ZINC000129995237 278149444 /nfs/dbraw/zinc/14/94/44/278149444.db2.gz WMADNCNYSJVWDA-MRXNPFEDSA-N 0 3 317.477 3.374 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ncc(C2CCCCC2)s1)N(C)C ZINC000330814145 278217974 /nfs/dbraw/zinc/21/79/74/278217974.db2.gz PVSGUUYOIQDJTC-NSHDSACASA-N 0 3 310.467 3.467 20 30 DGEDHN CC(C)(C#N)CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000278683873 278256689 /nfs/dbraw/zinc/25/66/89/278256689.db2.gz DMHBFGCZIPAOGM-CQSZACIVSA-N 0 3 319.474 3.016 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1 ZINC000156642687 278381906 /nfs/dbraw/zinc/38/19/06/278381906.db2.gz OIDHNENAWDOTNX-PBHICJAKSA-N 0 3 324.403 3.412 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H](NCC1(C#N)CCC1)C1CCCC1 ZINC000496888392 278433557 /nfs/dbraw/zinc/43/35/57/278433557.db2.gz AQAHPPQIYBPWMH-HNNXBMFYSA-N 0 3 321.465 3.353 20 30 DGEDHN Cc1ccc([C@@H](CNCc2ccc(C#N)cc2)N2CCCC2)o1 ZINC000101599775 278844360 /nfs/dbraw/zinc/84/43/60/278844360.db2.gz NIBVURZKPZCEEB-GOSISDBHSA-N 0 3 309.413 3.386 20 30 DGEDHN C[C@@](C#N)(NC(=O)CN1CCCC2(CCCCC2)CC1)C1CC1 ZINC000190326152 279148225 /nfs/dbraw/zinc/14/82/25/279148225.db2.gz IRIRBXGXGQSZFD-SFHVURJKSA-N 0 3 317.477 3.231 20 30 DGEDHN C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000302223693 279354969 /nfs/dbraw/zinc/35/49/69/279354969.db2.gz UJZJRCXKGICYAT-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000069606384 431203155 /nfs/dbraw/zinc/20/31/55/431203155.db2.gz UOCCRMSLNQIOEQ-DZGCQCFKSA-N 0 3 314.433 3.109 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000069606382 431203877 /nfs/dbraw/zinc/20/38/77/431203877.db2.gz UOCCRMSLNQIOEQ-ZFWWWQNUSA-N 0 3 314.433 3.109 20 30 DGEDHN CCSc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543441 431281012 /nfs/dbraw/zinc/28/10/12/431281012.db2.gz YEWXGPMZVGKGHU-KGLIPLIRSA-N 0 3 319.474 3.210 20 30 DGEDHN C[C@H](OC[C@H](O)CN1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000061040356 279587614 /nfs/dbraw/zinc/58/76/14/279587614.db2.gz AKQWQTRSIHTMDJ-SUMWQHHRSA-N 0 3 322.836 3.014 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H](O)[C@H](C)CC)ccc1OC ZINC000112381564 431271058 /nfs/dbraw/zinc/27/10/58/431271058.db2.gz VAODMEYXPAVADB-ZBFHGGJFSA-N 0 3 307.434 3.147 20 30 DGEDHN CCCN(CCCSCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000072515615 431340578 /nfs/dbraw/zinc/34/05/78/431340578.db2.gz BBHXUFDGCGCUGS-OAHLLOKOSA-N 0 3 319.474 3.372 20 30 DGEDHN C[NH+](C)C1(C/N=C/c2c([O-])ccc3ccccc32)CCOCC1 ZINC000072613708 431341687 /nfs/dbraw/zinc/34/16/87/431341687.db2.gz LLVQTECTPCFSOC-DEDYPNTBSA-N 0 3 312.413 3.075 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000113396130 431346178 /nfs/dbraw/zinc/34/61/78/431346178.db2.gz HZVYCAFOFLLWRF-BFYDXBDKSA-N 0 3 307.482 3.151 20 30 DGEDHN CC[C@H](C)N(CCCCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000072972311 431360324 /nfs/dbraw/zinc/36/03/24/431360324.db2.gz DJSYYDFCDQULJO-AWEZNQCLSA-N 0 3 312.417 3.217 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)c1oc2ccccc2c1CN(C)C ZINC000114172255 431374098 /nfs/dbraw/zinc/37/40/98/431374098.db2.gz WNXYLMMUTLMUOH-CYBMUJFWSA-N 0 3 313.401 3.116 20 30 DGEDHN Cc1cc(C)cc(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c1 ZINC000073649439 431379019 /nfs/dbraw/zinc/37/90/19/431379019.db2.gz NOFPNVGFJSCAOV-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN N#CCSCCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000074981367 431444714 /nfs/dbraw/zinc/44/47/14/431444714.db2.gz JVOOQNYPMNTKRY-AWEZNQCLSA-N 0 3 310.488 3.376 20 30 DGEDHN CN(C)[C@H](CNCc1cccc(C#N)c1)c1c(F)cccc1F ZINC000115623272 431467061 /nfs/dbraw/zinc/46/70/61/431467061.db2.gz FUJDCAQKFWHWJX-QGZVFWFLSA-N 0 3 315.367 3.229 20 30 DGEDHN Oc1ccccc1/C=N/CC1(N2CCSCC2)CCCC1 ZINC000075474296 431477777 /nfs/dbraw/zinc/47/77/77/431477777.db2.gz ZWZLGLNPVVQQJM-QGOAFFKASA-N 0 3 304.459 3.173 20 30 DGEDHN Cc1nnc(N[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1C ZINC000075669016 431493122 /nfs/dbraw/zinc/49/31/22/431493122.db2.gz ILFSIALRJCXOTR-KRWDZBQOSA-N 0 3 321.428 3.042 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000116972878 431540947 /nfs/dbraw/zinc/54/09/47/431540947.db2.gz WVTBSJFHTCSJEC-NVXWUHKLSA-N 0 3 301.434 3.087 20 30 DGEDHN CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000442637579 280335333 /nfs/dbraw/zinc/33/53/33/280335333.db2.gz PIEADSKUTNQNGH-YEWWUXTCSA-N 0 3 300.402 3.437 20 30 DGEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000078248270 431650326 /nfs/dbraw/zinc/65/03/26/431650326.db2.gz JUUJZLWPVWYDAN-SFHVURJKSA-N 0 3 322.412 3.177 20 30 DGEDHN C#CCCCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000120196816 431725402 /nfs/dbraw/zinc/72/54/02/431725402.db2.gz FIVTXSZHCFUVBE-GOSISDBHSA-N 0 3 312.457 3.303 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000119972852 431720884 /nfs/dbraw/zinc/72/08/84/431720884.db2.gz JVZICDKGRZAAFW-MJGOQNOKSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(F)cn1)C(C)C ZINC000123186168 431857272 /nfs/dbraw/zinc/85/72/72/431857272.db2.gz SIKJNDAVFJOYOW-OAHLLOKOSA-N 0 3 320.412 3.041 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000123688407 431871703 /nfs/dbraw/zinc/87/17/03/431871703.db2.gz ARTUBKFYDWOBIG-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN CC(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)=Nn1cnnc1 ZINC000493935060 280812006 /nfs/dbraw/zinc/81/20/06/280812006.db2.gz NBUWKYWAEJYXTF-CQSZACIVSA-N 0 3 321.425 3.072 20 30 DGEDHN COc1ccc(CNCCn2c(C)nc3ccccc32)cc1C#N ZINC000124937079 431908875 /nfs/dbraw/zinc/90/88/75/431908875.db2.gz YWLAHYQFFMLREH-UHFFFAOYSA-N 0 3 320.396 3.015 20 30 DGEDHN CCOCc1ccccc1CNCc1ccc(OC)c(C#N)c1 ZINC000124985282 431909698 /nfs/dbraw/zinc/90/96/98/431909698.db2.gz NVZHRXOLGYSSMA-UHFFFAOYSA-N 0 3 310.397 3.393 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1OC ZINC000093506381 431915181 /nfs/dbraw/zinc/91/51/81/431915181.db2.gz XPYYORHLRSJCBI-IAGOWNOFSA-N 0 3 317.429 3.261 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc(OC)c1O ZINC000093505853 431915895 /nfs/dbraw/zinc/91/58/95/431915895.db2.gz UXJYKBCVQOAQTN-SJORKVTESA-N 0 3 317.429 3.130 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N(C)CC(F)(F)F)c1ccccc1 ZINC000090088359 431889322 /nfs/dbraw/zinc/88/93/22/431889322.db2.gz UGIUNOLIILTBTI-CQSZACIVSA-N 0 3 314.351 3.304 20 30 DGEDHN CN(CCC(=O)Nc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000046529075 431898051 /nfs/dbraw/zinc/89/80/51/431898051.db2.gz AOJHILOUQPZVDS-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN N#Cc1ccc(CNCc2cccc(Cn3ccnc3)c2)cc1 ZINC000048711340 431931282 /nfs/dbraw/zinc/93/12/82/431931282.db2.gz IBDKPFCPZSQREZ-UHFFFAOYSA-N 0 3 302.381 3.093 20 30 DGEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000049458272 431940136 /nfs/dbraw/zinc/94/01/36/431940136.db2.gz BFZVODQVZNVLJT-OAHLLOKOSA-N 0 3 322.755 3.411 20 30 DGEDHN N#CC(C(=O)c1ccc(Br)c(F)c1)c1ccccn1 ZINC000049417065 431940320 /nfs/dbraw/zinc/94/03/20/431940320.db2.gz KVYRYSRHZFUTAS-SNVBAGLBSA-N 0 3 319.133 3.473 20 30 DGEDHN CCc1nc(CCNC2CC(C#N)(c3ccccc3)C2)cs1 ZINC000126617004 431954567 /nfs/dbraw/zinc/95/45/67/431954567.db2.gz IXYOXQKIAAOUDG-UHFFFAOYSA-N 0 3 311.454 3.462 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)c1cccnc1 ZINC000127869943 431983077 /nfs/dbraw/zinc/98/30/77/431983077.db2.gz MSRFUZSSPXSWRD-CQSZACIVSA-N 0 3 311.385 3.034 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1cc(C#N)ccc1F ZINC000191481400 432269199 /nfs/dbraw/zinc/26/91/99/432269199.db2.gz APSJOEVGIQIUID-UHFFFAOYSA-N 0 3 314.408 3.368 20 30 DGEDHN COc1cccc(COCCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000152087516 432303145 /nfs/dbraw/zinc/30/31/45/432303145.db2.gz UKXNCUSOAKJEMU-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000248147106 432272014 /nfs/dbraw/zinc/27/20/14/432272014.db2.gz WFEVRCZOZCWTCN-MRXNPFEDSA-N 0 3 324.384 3.051 20 30 DGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173447791 432278409 /nfs/dbraw/zinc/27/84/09/432278409.db2.gz UVGJCXBUSSCHEX-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cnc(C)nc1C)C(C)C ZINC000152068376 432300821 /nfs/dbraw/zinc/30/08/21/432300821.db2.gz SZRRRKJVHDKXIS-KXBFYZLASA-N 0 3 316.493 3.443 20 30 DGEDHN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCCCC1 ZINC000060495732 431999530 /nfs/dbraw/zinc/99/95/30/431999530.db2.gz XNMRVWOSDDVQJZ-SFHVURJKSA-N 0 3 305.466 3.087 20 30 DGEDHN C#CCN(C[C@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000191959642 432318885 /nfs/dbraw/zinc/31/88/85/432318885.db2.gz SAMBGHQJLHWUDR-SJLPKXTDSA-N 0 3 309.409 3.095 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192125201 432335388 /nfs/dbraw/zinc/33/53/88/432335388.db2.gz OSMMWWDLOJVITJ-CQSZACIVSA-N 0 3 318.392 3.253 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000249357723 432346031 /nfs/dbraw/zinc/34/60/31/432346031.db2.gz ZECMUTTVDPGUEM-GMXABZIVSA-N 0 3 303.406 3.263 20 30 DGEDHN CCN(CCCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000271191722 432347758 /nfs/dbraw/zinc/34/77/58/432347758.db2.gz MADFWDIBPJGKTO-UHFFFAOYSA-N 0 3 324.424 3.342 20 30 DGEDHN C=CCc1cc(CN(C)CCCOC(C)C)cc(OC)c1O ZINC000271195594 432350469 /nfs/dbraw/zinc/35/04/69/432350469.db2.gz NQMMHNCWTDJTJJ-UHFFFAOYSA-N 0 3 307.434 3.376 20 30 DGEDHN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000271377206 432383910 /nfs/dbraw/zinc/38/39/10/432383910.db2.gz HUTPJLNDUKOQMN-KRWDZBQOSA-N 0 3 324.424 3.362 20 30 DGEDHN C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000271377212 432384388 /nfs/dbraw/zinc/38/43/88/432384388.db2.gz HUTPJLNDUKOQMN-QGZVFWFLSA-N 0 3 324.424 3.362 20 30 DGEDHN C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(OCC#N)cc1 ZINC000271448823 432397350 /nfs/dbraw/zinc/39/73/50/432397350.db2.gz HZSQJUMZLPGHOX-GUYCJALGSA-N 0 3 310.401 3.051 20 30 DGEDHN Oc1ccccc1/C=N/C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192398453 432369840 /nfs/dbraw/zinc/36/98/40/432369840.db2.gz HUVSBQJDGQAJPH-DBRLUCFCSA-N 0 3 324.424 3.102 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000175473969 432440376 /nfs/dbraw/zinc/44/03/76/432440376.db2.gz SLAUUIUUOBHVOI-UHFFFAOYSA-N 0 3 305.466 3.144 20 30 DGEDHN C=CCCOCCN[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000193052608 432444362 /nfs/dbraw/zinc/44/43/62/432444362.db2.gz FFKRKPFVNQLBPO-AWEZNQCLSA-N 0 3 321.417 3.324 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC1CCC1 ZINC000175584774 432451412 /nfs/dbraw/zinc/45/14/12/432451412.db2.gz BKRCPVTZVIWKAJ-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(N2CCOC2=O)cc1 ZINC000192743469 432408503 /nfs/dbraw/zinc/40/85/03/432408503.db2.gz WOZACINQMQQLHB-IJEWVQPXSA-N 0 3 313.401 3.376 20 30 DGEDHN Cc1cccc([C@@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271869018 432426256 /nfs/dbraw/zinc/42/62/56/432426256.db2.gz MBPISQZLFVNVNN-KXBFYZLASA-N 0 3 310.397 3.282 20 30 DGEDHN C=CCCCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000175347635 432426613 /nfs/dbraw/zinc/42/66/13/432426613.db2.gz UZKZYPULKRTLQX-UHFFFAOYSA-N 0 3 300.446 3.432 20 30 DGEDHN C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000271822010 432427083 /nfs/dbraw/zinc/42/70/83/432427083.db2.gz NYFSZPRUPDDRAW-SCLBCKFNSA-N 0 3 314.360 3.112 20 30 DGEDHN CC(C)c1csc(CNC(=N)Nc2cc(F)ccc2F)n1 ZINC000262284791 432479597 /nfs/dbraw/zinc/47/95/97/432479597.db2.gz LZUJWUCCWUFUFH-UHFFFAOYSA-N 0 3 310.373 3.472 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000154187693 432480345 /nfs/dbraw/zinc/48/03/45/432480345.db2.gz HZUYFJRYLMLOSB-UHFFFAOYSA-N 0 3 307.482 3.415 20 30 DGEDHN CCC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000193631189 432486948 /nfs/dbraw/zinc/48/69/48/432486948.db2.gz TVBACRQDIZUQAZ-WMZOPIPTSA-N 0 3 301.434 3.172 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3oc(C)c(C)c3c2)CC1 ZINC000185384365 432496659 /nfs/dbraw/zinc/49/66/59/432496659.db2.gz GJWBWXFSDHDZRA-UHFFFAOYSA-N 0 3 310.397 3.333 20 30 DGEDHN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC(C)(C)O ZINC000155451513 432555734 /nfs/dbraw/zinc/55/57/34/432555734.db2.gz YCKSLBCAVRIAHT-UHFFFAOYSA-N 0 3 315.335 3.030 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000186064431 432556088 /nfs/dbraw/zinc/55/60/88/432556088.db2.gz RUYHGHQIIUGCQO-ZDUSSCGKSA-N 0 3 322.399 3.057 20 30 DGEDHN CC#CCCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186059959 432556118 /nfs/dbraw/zinc/55/61/18/432556118.db2.gz BIRVRZHDOSUCHJ-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C#CCC(C)(C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000186151508 432563830 /nfs/dbraw/zinc/56/38/30/432563830.db2.gz WMEIHDRWMZFZLD-UHFFFAOYSA-N 0 3 300.446 3.146 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000176499800 432530143 /nfs/dbraw/zinc/53/01/43/432530143.db2.gz FFWGULOKZJPPOH-NVXWUHKLSA-N 0 3 305.466 3.001 20 30 DGEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc(C)c(C)s2)c1 ZINC000155652251 432566301 /nfs/dbraw/zinc/56/63/01/432566301.db2.gz JBTUXXMSUNSAQW-CQSZACIVSA-N 0 3 313.382 3.208 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1cccc(F)c1 ZINC000176940545 432567543 /nfs/dbraw/zinc/56/75/43/432567543.db2.gz XFBRMGMVOJRAOT-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccc(C#N)c2)n1 ZINC000155758636 432570534 /nfs/dbraw/zinc/57/05/34/432570534.db2.gz DRDADNMCICNEPX-ZDUSSCGKSA-N 0 3 310.382 3.384 20 30 DGEDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(C#N)cc2C)cc1 ZINC000186230506 432570699 /nfs/dbraw/zinc/57/06/99/432570699.db2.gz UNCHCPNCBBCHOJ-LJQANCHMSA-N 0 3 310.397 3.041 20 30 DGEDHN COc1cccc(O[C@@H](C)CNCc2ccc(C#N)s2)c1 ZINC000176977987 432572126 /nfs/dbraw/zinc/57/21/26/432572126.db2.gz XYVGYAFZQYUWME-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN C#CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000273243013 432572273 /nfs/dbraw/zinc/57/22/73/432572273.db2.gz XPUHZDIMBRBTPV-LJQANCHMSA-N 0 3 322.408 3.378 20 30 DGEDHN CC(C)(C#N)c1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000195343153 432619181 /nfs/dbraw/zinc/61/91/81/432619181.db2.gz STSQEMUKBRBPEV-UHFFFAOYSA-N 0 3 311.429 3.301 20 30 DGEDHN CCOCCOCc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000274167594 432636885 /nfs/dbraw/zinc/63/68/85/432636885.db2.gz ARVHOBFPRZYRHZ-QFBILLFUSA-N 0 3 316.445 3.412 20 30 DGEDHN C=CCN1CCC(NC(=O)c2csc3c2CCCC3)CC1 ZINC000264451384 432648217 /nfs/dbraw/zinc/64/82/17/432648217.db2.gz CPUOSONDFLTZIR-UHFFFAOYSA-N 0 3 304.459 3.007 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000264388486 432641076 /nfs/dbraw/zinc/64/10/76/432641076.db2.gz VZJOAMIGWKMLBL-GOSISDBHSA-N 0 3 313.445 3.184 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@@H](C)c2ccccc2)CC1 ZINC000264398187 432642778 /nfs/dbraw/zinc/64/27/78/432642778.db2.gz YVTBFHGVGIUYOS-MRXNPFEDSA-N 0 3 315.461 3.130 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C)c2)CC1 ZINC000264412736 432644767 /nfs/dbraw/zinc/64/47/67/432644767.db2.gz RIXXBTPIQNQXJY-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000264434050 432646450 /nfs/dbraw/zinc/64/64/50/432646450.db2.gz VIDPSMCQGZRKHK-SFHVURJKSA-N 0 3 313.445 3.087 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000264471440 432649761 /nfs/dbraw/zinc/64/97/61/432649761.db2.gz JCPDMBLBTQKALN-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CCC(NCc2nn(CC)c3ccccc23)CC1 ZINC000274443854 432669530 /nfs/dbraw/zinc/66/95/30/432669530.db2.gz PMNCBBDQKROUCH-UHFFFAOYSA-N 0 3 312.461 3.186 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2csc3ccccc23)CC1 ZINC000264520402 432653871 /nfs/dbraw/zinc/65/38/71/432653871.db2.gz WMSUAKHMRDFCSW-UHFFFAOYSA-N 0 3 314.454 3.210 20 30 DGEDHN C=C(C)CN(CC)Cc1cnc2ccc(Br)cn12 ZINC000158990456 432666192 /nfs/dbraw/zinc/66/61/92/432666192.db2.gz ORYDESYWOZDAPH-UHFFFAOYSA-N 0 3 308.223 3.495 20 30 DGEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000274667664 432696145 /nfs/dbraw/zinc/69/61/45/432696145.db2.gz XADKATYTHRPQDX-CYBMUJFWSA-N 0 3 317.433 3.451 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000159937539 432701927 /nfs/dbraw/zinc/70/19/27/432701927.db2.gz ANYVATBEODCMPH-WMZOPIPTSA-N 0 3 313.445 3.033 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159992602 432703860 /nfs/dbraw/zinc/70/38/60/432703860.db2.gz MCBCHMVUSUIPPA-FUHWJXTLSA-N 0 3 315.461 3.115 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000274792987 432707895 /nfs/dbraw/zinc/70/78/95/432707895.db2.gz ORCJOKHHGDZYTA-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000274783174 432707918 /nfs/dbraw/zinc/70/79/18/432707918.db2.gz PRCSNXIEODBHLD-UHFFFAOYSA-N 0 3 306.837 3.454 20 30 DGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)sc1C ZINC000160118780 432708321 /nfs/dbraw/zinc/70/83/21/432708321.db2.gz OYPZFJKWRNXJIR-JTQLQIEISA-N 0 3 307.325 3.284 20 30 DGEDHN C=C(C)CCN1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000274816098 432712186 /nfs/dbraw/zinc/71/21/86/432712186.db2.gz WQGMWASPXQZMFB-HNNXBMFYSA-N 0 3 323.506 3.324 20 30 DGEDHN C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccc(C#N)cc1 ZINC000274840501 432714836 /nfs/dbraw/zinc/71/48/36/432714836.db2.gz VYYSIIBUSGCDKM-CQSZACIVSA-N 0 3 319.408 3.318 20 30 DGEDHN C=CCSCCNCc1cc(OC)ccc1Br ZINC000227845189 432714999 /nfs/dbraw/zinc/71/49/99/432714999.db2.gz GBNUYNAEYMDXTC-UHFFFAOYSA-N 0 3 316.264 3.467 20 30 DGEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000274930425 432720527 /nfs/dbraw/zinc/72/05/27/432720527.db2.gz NLBGMJRXFRANBL-CHWSQXEVSA-N 0 3 303.406 3.083 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccn1 ZINC000159087782 432670820 /nfs/dbraw/zinc/67/08/20/432670820.db2.gz AMVYQSSTTMPXJB-GDBMZVCRSA-N 0 3 324.403 3.412 20 30 DGEDHN C=CCN1CCC(N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000177906245 432671484 /nfs/dbraw/zinc/67/14/84/432671484.db2.gz LTKUEKFHDQJXPE-KRWDZBQOSA-N 0 3 304.409 3.279 20 30 DGEDHN C=CCC[C@@H](C(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000187748593 432681383 /nfs/dbraw/zinc/68/13/83/432681383.db2.gz MFPYHTZPLDJKKI-LJQANCHMSA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCC[C@H](C(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000187748573 432681910 /nfs/dbraw/zinc/68/19/10/432681910.db2.gz MFPYHTZPLDJKKI-IBGZPJMESA-N 0 3 312.457 3.479 20 30 DGEDHN CC(C)Oc1cccc([C@H](O)CNCc2cccc(C#N)c2)c1 ZINC000265312980 432688811 /nfs/dbraw/zinc/68/88/11/432688811.db2.gz QJUYQRCRSCBGGW-LJQANCHMSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189030461 432758431 /nfs/dbraw/zinc/75/84/31/432758431.db2.gz NQJXFQLVMDCQPG-MSOLQXFVSA-N 0 3 300.446 3.289 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(C#N)cn1 ZINC000265833483 432737207 /nfs/dbraw/zinc/73/72/07/432737207.db2.gz LIGQPIPKSISKNW-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267310170 432831104 /nfs/dbraw/zinc/83/11/04/432831104.db2.gz BXCQIFKTAOCMEG-RYRKJORJSA-N 0 3 315.461 3.161 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C)C2)c1C ZINC000267668625 432836252 /nfs/dbraw/zinc/83/62/52/432836252.db2.gz ODJTUFWBINESSR-HOTGVXAUSA-N 0 3 313.445 3.138 20 30 DGEDHN C#CCC1(C(=O)NCc2ccccc2CN(C)C)CCCCC1 ZINC000276209024 432782979 /nfs/dbraw/zinc/78/29/79/432782979.db2.gz ARMKCGQAVOYTGG-UHFFFAOYSA-N 0 3 312.457 3.338 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000276229562 432785851 /nfs/dbraw/zinc/78/58/51/432785851.db2.gz NECJHQNJYUIHGY-SFHVURJKSA-N 0 3 304.434 3.224 20 30 DGEDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000189487735 432790800 /nfs/dbraw/zinc/79/08/00/432790800.db2.gz FPMDEYPPBZRZME-HOTGVXAUSA-N 0 3 317.458 3.151 20 30 DGEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000189485691 432791156 /nfs/dbraw/zinc/79/11/56/432791156.db2.gz WCFLDZBJPDUIRG-QWHCGFSZSA-N 0 3 323.487 3.212 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000245929194 432870705 /nfs/dbraw/zinc/87/07/05/432870705.db2.gz QDOILRZKNFQTGE-YESZJQIVSA-N 0 3 304.478 3.360 20 30 DGEDHN CC(C)(C#N)CCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000277725941 432872280 /nfs/dbraw/zinc/87/22/80/432872280.db2.gz NSOPFODLJBQVTQ-KRWDZBQOSA-N 0 3 321.852 3.350 20 30 DGEDHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000245948618 432872798 /nfs/dbraw/zinc/87/27/98/432872798.db2.gz WDIXPPZOYAYIPK-SJBXNIEPSA-N 0 3 304.459 3.289 20 30 DGEDHN CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000245948622 432872867 /nfs/dbraw/zinc/87/28/67/432872867.db2.gz WDIXPPZOYAYIPK-YFPSAGDSSA-N 0 3 304.459 3.289 20 30 DGEDHN CC1(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCCCC1 ZINC000330183399 432896029 /nfs/dbraw/zinc/89/60/29/432896029.db2.gz HWNOIJVTNZPQDD-AWEZNQCLSA-N 0 3 304.438 3.062 20 30 DGEDHN CN(C)c1ccccc1CN(C)Cc1ccc(OCC#N)cc1 ZINC000288769774 432896097 /nfs/dbraw/zinc/89/60/97/432896097.db2.gz IFAFGZCYZOKVTM-UHFFFAOYSA-N 0 3 309.413 3.287 20 30 DGEDHN CC(C)Oc1ccc([C@H](CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000288410413 432891664 /nfs/dbraw/zinc/89/16/64/432891664.db2.gz GNVFUKJMVIILTN-SFHVURJKSA-N 0 3 324.428 3.455 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000268155193 432851037 /nfs/dbraw/zinc/85/10/37/432851037.db2.gz PKKLMDWHVIKZEX-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000331158513 432933678 /nfs/dbraw/zinc/93/36/78/432933678.db2.gz DSUXGSJGPPCZRN-OCCSQVGLSA-N 0 3 305.447 3.343 20 30 DGEDHN CN(C)CCOc1ccc(NC(=O)CC(C)(C)C#N)cc1Cl ZINC000279198305 432944241 /nfs/dbraw/zinc/94/42/41/432944241.db2.gz FQZGISOTNBLTCZ-UHFFFAOYSA-N 0 3 323.824 3.159 20 30 DGEDHN C[C@@H]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279234297 432948270 /nfs/dbraw/zinc/94/82/70/432948270.db2.gz FDVHUTKXBGPJTN-FHLIZLRMSA-N 0 3 309.413 3.183 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000278707717 432899752 /nfs/dbraw/zinc/89/97/52/432899752.db2.gz LIWYDPNGJAPLPO-VXGBXAGGSA-N 0 3 313.323 3.151 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CCN1C ZINC000330271831 432900471 /nfs/dbraw/zinc/90/04/71/432900471.db2.gz WPDZSQNWGWJCJW-YPMHNXCESA-N 0 3 315.417 3.353 20 30 DGEDHN C#Cc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000278816165 432904442 /nfs/dbraw/zinc/90/44/42/432904442.db2.gz BNSPFCYATPWJLT-UHFFFAOYSA-N 0 3 318.420 3.062 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC[N@@H+]1C ZINC000330414868 432907871 /nfs/dbraw/zinc/90/78/71/432907871.db2.gz CQYSHNLEUCFQCL-ZJUUUORDSA-N 0 3 316.323 3.198 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000330414868 432907874 /nfs/dbraw/zinc/90/78/74/432907874.db2.gz CQYSHNLEUCFQCL-ZJUUUORDSA-N 0 3 316.323 3.198 20 30 DGEDHN C#Cc1ccc(CN[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000289525446 432967095 /nfs/dbraw/zinc/96/70/95/432967095.db2.gz PPEWTODEMMKMSP-HXUWFJFHSA-N 0 3 308.425 3.069 20 30 DGEDHN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(OCC#N)cc1 ZINC000280077258 433001994 /nfs/dbraw/zinc/00/19/94/433001994.db2.gz LMDNMPCLXMGIRS-SUMWQHHRSA-N 0 3 310.401 3.051 20 30 DGEDHN C#CCn1ccc(CN(CC)C[C@H](C)c2ccc(OC)cc2)n1 ZINC000279465050 432971238 /nfs/dbraw/zinc/97/12/38/432971238.db2.gz UWFHQIALOXJDQQ-INIZCTEOSA-N 0 3 311.429 3.151 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000289751731 432972568 /nfs/dbraw/zinc/97/25/68/432972568.db2.gz HQFPOFQMXKDTBN-MJGOQNOKSA-N 0 3 315.461 3.199 20 30 DGEDHN C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000279545042 432980353 /nfs/dbraw/zinc/98/03/53/432980353.db2.gz MCJFTOBLNQNGBX-FUHWJXTLSA-N 0 3 315.461 3.162 20 30 DGEDHN COc1ccc([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000341218106 432994863 /nfs/dbraw/zinc/99/48/63/432994863.db2.gz JVTNEQSIKCNQCK-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN CC(C)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280217146 433016623 /nfs/dbraw/zinc/01/66/23/433016623.db2.gz ALHYPGWTXGAZCR-MSOLQXFVSA-N 0 3 309.413 3.135 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280220884 433017419 /nfs/dbraw/zinc/01/74/19/433017419.db2.gz IXSYWYDQLDKEOR-OLZOCXBDSA-N 0 3 315.866 3.022 20 30 DGEDHN CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280253847 433023664 /nfs/dbraw/zinc/02/36/64/433023664.db2.gz CCCUPYFUIZZQRB-QAPCUYQASA-N 0 3 309.413 3.279 20 30 DGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333176496 433037535 /nfs/dbraw/zinc/03/75/35/433037535.db2.gz LNZRPSVWQJGJJR-HNAYVOBHSA-N 0 3 317.477 3.087 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000298097037 433049984 /nfs/dbraw/zinc/04/99/84/433049984.db2.gz KVEVVYDVJXZCSL-DFGXFYAUSA-N 0 3 313.445 3.409 20 30 DGEDHN CC1(C)C(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000280485226 433059790 /nfs/dbraw/zinc/05/97/90/433059790.db2.gz KCKZZNQTMKKRSQ-OAHLLOKOSA-N 0 3 309.413 3.039 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000347070474 289235574 /nfs/dbraw/zinc/23/55/74/289235574.db2.gz NWAPQZSEXDDPFB-MFKMUULPSA-N 0 3 307.191 3.272 20 30 DGEDHN COc1cc2c(c(CNCCc3cccc(C#N)c3)c1)O[C@@H](C)C2 ZINC000341481616 433086651 /nfs/dbraw/zinc/08/66/51/433086651.db2.gz JEHYBISECLDPNH-AWEZNQCLSA-N 0 3 322.408 3.223 20 30 DGEDHN N#Cc1cccc(CCNCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000341493779 433092886 /nfs/dbraw/zinc/09/28/86/433092886.db2.gz WRGCZSBYSYGBFJ-UHFFFAOYSA-N 0 3 302.381 3.281 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000280575497 433093611 /nfs/dbraw/zinc/09/36/11/433093611.db2.gz MBQBANIJKOKOKN-SFHVURJKSA-N 0 3 323.396 3.027 20 30 DGEDHN N#Cc1cccc(CCNCc2cnc([C@H]3CCCO3)s2)c1 ZINC000341495164 433094510 /nfs/dbraw/zinc/09/45/10/433094510.db2.gz XYVWFLUXLNPZRV-MRXNPFEDSA-N 0 3 313.426 3.199 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000453331627 433095609 /nfs/dbraw/zinc/09/56/09/433095609.db2.gz BZSPLVCJQGXAAE-GLQYFDAESA-N 0 3 309.381 3.227 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(Br)cc1F ZINC000446924449 433126243 /nfs/dbraw/zinc/12/62/43/433126243.db2.gz GPEBKFIPUNVAMU-GHMZBOCLSA-N 0 3 316.214 3.423 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000280685639 433137207 /nfs/dbraw/zinc/13/72/07/433137207.db2.gz RCPYUTPBUVMYKM-GUYCJALGSA-N 0 3 320.389 3.064 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453339720 433104872 /nfs/dbraw/zinc/10/48/72/433104872.db2.gz BSSHRSOYRMANLE-ILXRZTDVSA-N 0 3 315.335 3.326 20 30 DGEDHN CC[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(C#N)cc1 ZINC000373921549 433167653 /nfs/dbraw/zinc/16/76/53/433167653.db2.gz INIDBBSTLPCDIP-GOSISDBHSA-N 0 3 317.396 3.380 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000280799499 433176451 /nfs/dbraw/zinc/17/64/51/433176451.db2.gz SCIATINNJWXZIN-MEDUHNTESA-N 0 3 311.809 3.125 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374247774 433178782 /nfs/dbraw/zinc/17/87/82/433178782.db2.gz GUAJKKQIOFJYFN-FQEVSTJZSA-N 0 3 312.457 3.064 20 30 DGEDHN CN(CCOc1ccc(C#N)cc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447404353 433196677 /nfs/dbraw/zinc/19/66/77/433196677.db2.gz JPQYBIZIUHXBMV-UHFFFAOYSA-N 0 3 312.417 3.090 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCCN(C(C)C)CC1 ZINC000453458132 433198395 /nfs/dbraw/zinc/19/83/95/433198395.db2.gz YVXKEUPFJFSYTC-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN C[C@@H]1CN(CCC(C)(C)C#N)C[C@H](C)N1CCC(C)(C)C#N ZINC000337229094 433212393 /nfs/dbraw/zinc/21/23/93/433212393.db2.gz HNCSNRJODAMFSV-IYBDPMFKSA-N 0 3 304.482 3.261 20 30 DGEDHN N#Cc1csc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425375090 433213613 /nfs/dbraw/zinc/21/36/13/433213613.db2.gz TWKSQGHVJCYNDU-MRXNPFEDSA-N 0 3 302.443 3.401 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)C)nc2C)nc(C)n1 ZINC000453575231 433214986 /nfs/dbraw/zinc/21/49/86/433214986.db2.gz DAIBQORRNOATPO-OAHLLOKOSA-N 0 3 308.385 3.410 20 30 DGEDHN COC(=O)[C@@H](CCN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000425387614 433218921 /nfs/dbraw/zinc/21/89/21/433218921.db2.gz VBWISLPKWZIXCL-IBGZPJMESA-N 0 3 322.408 3.337 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)C[C@H](C)OC ZINC000291218646 433227863 /nfs/dbraw/zinc/22/78/63/433227863.db2.gz LGHUOJLLTWYALB-LSDHHAIUSA-N 0 3 324.490 3.008 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H]2CC[C@H](C)O2)ccc1OC ZINC000453625901 433249601 /nfs/dbraw/zinc/24/96/01/433249601.db2.gz FMSPEPWQJICBCH-GOEBONIOSA-N 0 3 305.418 3.307 20 30 DGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000350714022 433263115 /nfs/dbraw/zinc/26/31/15/433263115.db2.gz NZLUGAXFGHCQGV-XQQFMLRXSA-N 0 3 306.841 3.385 20 30 DGEDHN CC[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447887818 433313923 /nfs/dbraw/zinc/31/39/23/433313923.db2.gz ALUYGHODCURDNZ-QGPMSJSTSA-N 0 3 311.429 3.317 20 30 DGEDHN Cc1noc(C2(C)CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000374756380 433272549 /nfs/dbraw/zinc/27/25/49/433272549.db2.gz ZJQSCFXKYHLYDJ-ZDUSSCGKSA-N 0 3 310.401 3.364 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccnc(Cl)c1Cl ZINC000291580416 433274278 /nfs/dbraw/zinc/27/42/78/433274278.db2.gz OUUVZQQPDZXFPO-DGCLKSJQSA-N 0 3 301.217 3.459 20 30 DGEDHN C[C@H](CCN1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000447794476 433279411 /nfs/dbraw/zinc/27/94/11/433279411.db2.gz DYEALOATMRUXGH-QGZVFWFLSA-N 0 3 320.440 3.269 20 30 DGEDHN Cc1cccc(CCCN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000350786156 433285535 /nfs/dbraw/zinc/28/55/35/433285535.db2.gz LQNLAYLWPYWEOD-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000299184026 433345819 /nfs/dbraw/zinc/34/58/19/433345819.db2.gz ZVKXMWOKSAJSNT-NSHDSACASA-N 0 3 300.328 3.231 20 30 DGEDHN Cc1nc(C)c(C#N)c(SC[C@@H]2CCCCN2C(C)C)n1 ZINC000339115442 433369172 /nfs/dbraw/zinc/36/91/72/433369172.db2.gz XVPSEKSSEFHAJT-AWEZNQCLSA-N 0 3 304.463 3.320 20 30 DGEDHN COc1ccc(CN(C)C2CC(OC(C)(C)C)C2)cc1C#N ZINC000420997702 433372229 /nfs/dbraw/zinc/37/22/29/433372229.db2.gz ALDXLIHEIQJWTK-UHFFFAOYSA-N 0 3 302.418 3.345 20 30 DGEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000375266168 433402222 /nfs/dbraw/zinc/40/22/22/433402222.db2.gz KWUDBLRSKCNXJK-AWEZNQCLSA-N 0 3 324.428 3.389 20 30 DGEDHN CC#CCCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000291976258 433412176 /nfs/dbraw/zinc/41/21/76/433412176.db2.gz VZDFJUBNUWJZBQ-LJQANCHMSA-N 0 3 301.430 3.244 20 30 DGEDHN CC(C)CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301119917 433421312 /nfs/dbraw/zinc/42/13/12/433421312.db2.gz LWMAGMNTQPFEAU-UHFFFAOYSA-N 0 3 308.429 3.275 20 30 DGEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000421079510 433423393 /nfs/dbraw/zinc/42/33/93/433423393.db2.gz JQFQSEWVYIDQCO-INIZCTEOSA-N 0 3 314.433 3.046 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000454459826 433434377 /nfs/dbraw/zinc/43/43/77/433434377.db2.gz HPVJIOOBYHQNLW-IAGOWNOFSA-N 0 3 319.493 3.247 20 30 DGEDHN CN(C)[C@H](CNc1ncc(C#N)cc1Cl)Cc1ccccc1 ZINC000339244234 433462529 /nfs/dbraw/zinc/46/25/29/433462529.db2.gz ZNSFKNQIPMATPN-HNNXBMFYSA-N 0 3 314.820 3.191 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)c(F)c1)c1ccsc1 ZINC000421322907 433477720 /nfs/dbraw/zinc/47/77/20/433477720.db2.gz FIRBWGIQQJFKKT-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN C[C@H]1CC(C)(C)CN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000414528477 290338239 /nfs/dbraw/zinc/33/82/39/290338239.db2.gz UESOEHIGXUZNTO-HNNXBMFYSA-N 0 3 323.444 3.479 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N1CCc2ccccc21 ZINC000421336618 433485549 /nfs/dbraw/zinc/48/55/49/433485549.db2.gz WYLLWMYRAHACNU-CQSZACIVSA-N 0 3 309.388 3.238 20 30 DGEDHN CC(C)[C@H]1N(Cc2ccc(C#N)c(F)c2)CC12CCOCC2 ZINC000421376270 433519566 /nfs/dbraw/zinc/51/95/66/433519566.db2.gz DUWVBQCGRDYYPE-QGZVFWFLSA-N 0 3 302.393 3.334 20 30 DGEDHN CC(C)CN1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301350659 433519611 /nfs/dbraw/zinc/51/96/11/433519611.db2.gz JYDJLONIIXDVMJ-UHFFFAOYSA-N 0 3 311.351 3.355 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(CC2CC2)CC1 ZINC000301355255 433521844 /nfs/dbraw/zinc/52/18/44/433521844.db2.gz KGZFPFHWNURHEP-UHFFFAOYSA-N 0 3 324.403 3.086 20 30 DGEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC(O)C1 ZINC000355372781 433540217 /nfs/dbraw/zinc/54/02/17/433540217.db2.gz QMNBESWPOXVGFM-UHFFFAOYSA-N 0 3 322.408 3.092 20 30 DGEDHN C[C@@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(C#N)s1 ZINC000421351533 433492726 /nfs/dbraw/zinc/49/27/26/433492726.db2.gz MOSSUTYRBITLSQ-NSHDSACASA-N 0 3 317.389 3.266 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000421349975 433493195 /nfs/dbraw/zinc/49/31/95/433493195.db2.gz YDPVUXRTZPKVQZ-LIRRHRJNSA-N 0 3 311.404 3.478 20 30 DGEDHN CC(=O)c1ccc(C#N)c(N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000292293157 433540657 /nfs/dbraw/zinc/54/06/57/433540657.db2.gz NGGFJKVBJOTREK-AWEZNQCLSA-N 0 3 311.429 3.071 20 30 DGEDHN Cc1nc(-c2nc(-c3ccc(CN(C)C)cc3)no2)ccc1C#N ZINC000355595299 433552866 /nfs/dbraw/zinc/55/28/66/433552866.db2.gz IHHHKRKZWCZSRV-UHFFFAOYSA-N 0 3 319.368 3.040 20 30 DGEDHN CC(C)(C#N)CCCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375761315 433553752 /nfs/dbraw/zinc/55/37/52/433553752.db2.gz HLHXJQIVGHNZEB-INIZCTEOSA-N 0 3 321.465 3.403 20 30 DGEDHN Cc1occc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000414345526 433558928 /nfs/dbraw/zinc/55/89/28/433558928.db2.gz LJCMIWKLGZSDIV-MRXNPFEDSA-N 0 3 313.376 3.357 20 30 DGEDHN CN(CCn1nc(C#N)c2ccccc21)Cc1ccc(F)cc1 ZINC000356110925 433561257 /nfs/dbraw/zinc/56/12/57/433561257.db2.gz MTYUAUVMULBURV-UHFFFAOYSA-N 0 3 308.360 3.179 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](OC)C[C@H]2C)cc(OC)c1O ZINC000282302193 433561476 /nfs/dbraw/zinc/56/14/76/433561476.db2.gz MMCNMKVIYGYUFO-CZUORRHYSA-N 0 3 305.418 3.129 20 30 DGEDHN C=CCOCCN1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000292722899 433590179 /nfs/dbraw/zinc/59/01/79/433590179.db2.gz FWOYZPCJNRZCOT-UHFFFAOYSA-N 0 3 312.413 3.468 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2cccc(F)c2)nc1C ZINC000414454919 433629485 /nfs/dbraw/zinc/62/94/85/433629485.db2.gz ARSKURKPYCEMRU-MSOLQXFVSA-N 0 3 315.392 3.143 20 30 DGEDHN C=CCOc1cccc(CN2CCC(c3ccncn3)CC2)c1 ZINC000414471640 433633844 /nfs/dbraw/zinc/63/38/44/433633844.db2.gz PVSFJMYJZWBUJG-UHFFFAOYSA-N 0 3 309.413 3.421 20 30 DGEDHN COC[C@@H](NCCOc1ccccc1C#N)c1ccc(F)cc1 ZINC000342301407 433600157 /nfs/dbraw/zinc/60/01/57/433600157.db2.gz CQYJDLJXBHXYPO-QGZVFWFLSA-N 0 3 314.360 3.053 20 30 DGEDHN N#Cc1ccc(NC(=O)CN2C[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC000426793255 433600497 /nfs/dbraw/zinc/60/04/97/433600497.db2.gz MQMMJIPVMNXIBI-ZIAGYGMSSA-N 0 3 317.820 3.272 20 30 DGEDHN COC[C@H](NCCOc1ccccc1C#N)c1ccc(F)cc1 ZINC000342301405 433601371 /nfs/dbraw/zinc/60/13/71/433601371.db2.gz CQYJDLJXBHXYPO-KRWDZBQOSA-N 0 3 314.360 3.053 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)C[C@H]1CC=CCC1 ZINC000362260638 433608358 /nfs/dbraw/zinc/60/83/58/433608358.db2.gz IJMQBQINQGXRGD-INIZCTEOSA-N 0 3 314.429 3.372 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000448905486 433608158 /nfs/dbraw/zinc/60/81/58/433608158.db2.gz BAIKDWBPHOFUQH-KRWDZBQOSA-N 0 3 318.461 3.024 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccccc2Cl)s1 ZINC000342312080 433609754 /nfs/dbraw/zinc/60/97/54/433609754.db2.gz JYOXXLPXJLQRFO-NSHDSACASA-N 0 3 306.818 3.139 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COCC(F)(F)F ZINC000292994256 433609851 /nfs/dbraw/zinc/60/98/51/433609851.db2.gz SGNMWRDIRINCBH-OAHLLOKOSA-N 0 3 317.351 3.005 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c3c2CCC3)CC1 ZINC000448921175 433616368 /nfs/dbraw/zinc/61/63/68/433616368.db2.gz LDWOBKZHNDMICA-UHFFFAOYSA-N 0 3 312.457 3.254 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000293110779 433617876 /nfs/dbraw/zinc/61/78/76/433617876.db2.gz PLSQCIPJNBGJFS-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCC2(C1)CCCCCC2 ZINC000362383524 433669649 /nfs/dbraw/zinc/66/96/49/433669649.db2.gz MWXIBDPQPZNYES-MRXNPFEDSA-N 0 3 305.466 3.183 20 30 DGEDHN CC(C)COCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000283279043 433701774 /nfs/dbraw/zinc/70/17/74/433701774.db2.gz LWKBPCDDQCUKQM-UHFFFAOYSA-N 0 3 302.418 3.074 20 30 DGEDHN C=CCCOCCN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000283420626 433720733 /nfs/dbraw/zinc/72/07/33/433720733.db2.gz RPASDOMPNYTDMH-MSOLQXFVSA-N 0 3 317.429 3.351 20 30 DGEDHN C=CCCOCCN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000283420636 433721094 /nfs/dbraw/zinc/72/10/94/433721094.db2.gz RPASDOMPNYTDMH-ZWKOTPCHSA-N 0 3 317.429 3.351 20 30 DGEDHN CN(CCOCc1ccccc1)CCOc1cccc(C#N)c1 ZINC000362457073 433727304 /nfs/dbraw/zinc/72/73/04/433727304.db2.gz YFGFSTHLQVIFDP-UHFFFAOYSA-N 0 3 310.397 3.086 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000362527065 433734263 /nfs/dbraw/zinc/73/42/63/433734263.db2.gz XWLODTINAHLPIL-GOSISDBHSA-N 0 3 312.457 3.466 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)CC1 ZINC000421768039 433725357 /nfs/dbraw/zinc/72/53/57/433725357.db2.gz MTLTZFLDJCRTMI-UHFFFAOYSA-N 0 3 315.461 3.149 20 30 DGEDHN CN(CC1CCN(c2ccncc2)CC1)c1ccc(F)cc1C#N ZINC000301946263 433803476 /nfs/dbraw/zinc/80/34/76/433803476.db2.gz XMDJAGUCTZKFFG-UHFFFAOYSA-N 0 3 324.403 3.445 20 30 DGEDHN CN(CCOc1ccc(C#N)c(F)c1)Cc1ccc(F)cc1 ZINC000344681515 433877108 /nfs/dbraw/zinc/87/71/08/433877108.db2.gz SAMJRXHTGZEKIA-UHFFFAOYSA-N 0 3 302.324 3.347 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CN(CC)CC ZINC000302817949 433869157 /nfs/dbraw/zinc/86/91/57/433869157.db2.gz ZUMRJNREEZJWTG-UHFFFAOYSA-N 0 3 300.855 3.258 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@H]2COc3ccccc32)C1 ZINC000377560162 433915021 /nfs/dbraw/zinc/91/50/21/433915021.db2.gz DPWZXBHWHCAGMC-FVWXCPNNSA-N 0 3 304.393 3.376 20 30 DGEDHN C#Cc1ccc(CNCc2ccccc2-c2cnn(C)c2)cc1 ZINC000377617568 433927352 /nfs/dbraw/zinc/92/73/52/433927352.db2.gz SDHNVTRSLANQIU-UHFFFAOYSA-N 0 3 301.393 3.358 20 30 DGEDHN CN1CCN(CCCOc2cccc(C#N)c2)Cc2ccccc21 ZINC000357158069 433887182 /nfs/dbraw/zinc/88/71/82/433887182.db2.gz VLLYBZWQXQWQGL-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN COc1ccc2c(c1)CN(CCCOc1cccc(C#N)c1)CC2 ZINC000357166477 433891280 /nfs/dbraw/zinc/89/12/80/433891280.db2.gz HDQLDKSRHDJFSQ-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN CCOC1CC2(C1)CCN(Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000377692266 433959457 /nfs/dbraw/zinc/95/94/57/433959457.db2.gz BLXHHVNMAWLETK-VNCLNFNDSA-N 0 3 314.429 3.368 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000303712626 433961829 /nfs/dbraw/zinc/96/18/29/433961829.db2.gz ZKAIBYHYQQSLOD-CVEARBPZSA-N 0 3 307.482 3.143 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CCC4(C3)CCCCC4)C2=O)cc1 ZINC000303893922 433970929 /nfs/dbraw/zinc/97/09/29/433970929.db2.gz KNRJYLIBGTYFKO-SFHVURJKSA-N 0 3 323.440 3.320 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OC)c(C#N)c2)C1(C)C ZINC000340196744 433978722 /nfs/dbraw/zinc/97/87/22/433978722.db2.gz HXKOVUPENOJARW-IAGOWNOFSA-N 0 3 302.418 3.202 20 30 DGEDHN CC(C)N1CC[C@H](N(C)C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000457097489 433985815 /nfs/dbraw/zinc/98/58/15/433985815.db2.gz RYONVUFEKIFYTR-MSOLQXFVSA-N 0 3 313.445 3.015 20 30 DGEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OC)c(OC)c1 ZINC000285543724 433990873 /nfs/dbraw/zinc/99/08/73/433990873.db2.gz QDHQIVKSHFXFIM-INIZCTEOSA-N 0 3 313.401 3.155 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H](SCC)C1 ZINC000303439027 433936874 /nfs/dbraw/zinc/93/68/74/433936874.db2.gz HAUWXAUVOPHTFL-JKSUJKDBSA-N 0 3 312.523 3.407 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)[C@](C)(C#N)CC)c1ccccc1 ZINC000285664571 434030341 /nfs/dbraw/zinc/03/03/41/434030341.db2.gz YYFWSKDRNSDSKL-AEFFLSMTSA-N 0 3 301.434 3.126 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285686158 434039329 /nfs/dbraw/zinc/03/93/29/434039329.db2.gz VDCHBHCXHSJHNX-SWLSCSKDSA-N 0 3 312.335 3.399 20 30 DGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(C#N)ccc1Cl ZINC000285687513 434040650 /nfs/dbraw/zinc/04/06/50/434040650.db2.gz BVEWZMPYAYQJAU-GFCCVEGCSA-N 0 3 319.836 3.014 20 30 DGEDHN CSc1ccc([C@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000294223645 434045852 /nfs/dbraw/zinc/04/58/52/434045852.db2.gz VERDUAKKXHZLIP-KRWDZBQOSA-N 0 3 312.442 3.390 20 30 DGEDHN C=CCCCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294517816 434118618 /nfs/dbraw/zinc/11/86/18/434118618.db2.gz SBMWHQVINQXXGZ-MRXNPFEDSA-N 0 3 306.475 3.484 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)OCCCO3)CC2 ZINC000353416981 434121215 /nfs/dbraw/zinc/12/12/15/434121215.db2.gz YVGPCRFKPRLVCC-SFHVURJKSA-N 0 3 320.392 3.497 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000378333015 434142643 /nfs/dbraw/zinc/14/26/43/434142643.db2.gz HLOUIWJZLSSOLX-WBVHZDCISA-N 0 3 324.428 3.091 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314903227 434153744 /nfs/dbraw/zinc/15/37/44/434153744.db2.gz SUYYERPNBMLMJV-AWEZNQCLSA-N 0 3 306.372 3.486 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1Cc2ccccc2C[C@H]1C ZINC000357798135 434188136 /nfs/dbraw/zinc/18/81/36/434188136.db2.gz GXLUYGUBDZULTN-OAHLLOKOSA-N 0 3 322.408 3.392 20 30 DGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286184582 434189192 /nfs/dbraw/zinc/18/91/92/434189192.db2.gz ASAVPHFMHLOFKT-WCQYABFASA-N 0 3 324.350 3.035 20 30 DGEDHN C[C@H](N(C)CC#Cc1ccc(OC(F)(F)F)cc1)C(C)(C)O ZINC000295085509 434191543 /nfs/dbraw/zinc/19/15/43/434191543.db2.gz DULOSKARVBGJKZ-LBPRGKRZSA-N 0 3 315.335 3.028 20 30 DGEDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000295119833 434215135 /nfs/dbraw/zinc/21/51/35/434215135.db2.gz NAUKDQHAXPKZGB-LBPRGKRZSA-N 0 3 304.287 3.144 20 30 DGEDHN Cc1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1C ZINC000357967371 434267089 /nfs/dbraw/zinc/26/70/89/434267089.db2.gz WZQGROANLXLVMI-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc(C#N)cc1 ZINC000286303880 434223112 /nfs/dbraw/zinc/22/31/12/434223112.db2.gz WWVGZWZHRNFKFZ-STQMWFEESA-N 0 3 321.380 3.301 20 30 DGEDHN Cc1ccncc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000365416199 434299049 /nfs/dbraw/zinc/29/90/49/434299049.db2.gz BUCGYDSUPUVMKJ-QGZVFWFLSA-N 0 3 324.403 3.159 20 30 DGEDHN C=CC[C@H]1N(Cc2cc(C(=O)OC)n(C)c2)CCCC1(C)C ZINC000348396673 434299047 /nfs/dbraw/zinc/29/90/47/434299047.db2.gz QLRABJKCLIRYSL-MRXNPFEDSA-N 0 3 304.434 3.378 20 30 DGEDHN Cc1cc2c[nH]nc2c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000328691830 434302791 /nfs/dbraw/zinc/30/27/91/434302791.db2.gz IYUMATZDOSMGMP-GXTWGEPZSA-N 0 3 314.433 3.296 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3cc(OC)ccc3c2)CC1 ZINC000287076416 434306834 /nfs/dbraw/zinc/30/68/34/434306834.db2.gz TYOGYHPSSTXCFE-UHFFFAOYSA-N 0 3 322.408 3.132 20 30 DGEDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000437638374 434308387 /nfs/dbraw/zinc/30/83/87/434308387.db2.gz SUFCHTSLNNKWSK-SFHVURJKSA-N 0 3 322.412 3.062 20 30 DGEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000328760507 434309119 /nfs/dbraw/zinc/30/91/19/434309119.db2.gz XHIODILGMAPUOB-KCQAQPDRSA-N 0 3 309.454 3.207 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](c3nccn3C)C2)c1 ZINC000365818616 434310123 /nfs/dbraw/zinc/31/01/23/434310123.db2.gz GEHPBZLSVVQCTF-KRWDZBQOSA-N 0 3 311.429 3.365 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328828884 434317083 /nfs/dbraw/zinc/31/70/83/434317083.db2.gz UHWCUWWMGOMYAY-VNQPRFMTSA-N 0 3 315.417 3.287 20 30 DGEDHN Cc1ccc(NC(=O)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)nc1 ZINC000328828105 434317954 /nfs/dbraw/zinc/31/79/54/434317954.db2.gz JTLJHXZRKIECRC-HOCLYGCPSA-N 0 3 312.417 3.382 20 30 DGEDHN Cc1nn(C)cc1[C@@H]1CCCN1CCCOc1ccc(C#N)cc1 ZINC000366066251 434323342 /nfs/dbraw/zinc/32/33/42/434323342.db2.gz HGGZQICHHNBKTO-IBGZPJMESA-N 0 3 324.428 3.206 20 30 DGEDHN O=C(CN1CCC[C@@H]1C1CCC1)NC(=O)NC1CCCCC1 ZINC000328909885 434328561 /nfs/dbraw/zinc/32/85/61/434328561.db2.gz FAVDOEUIYLTRLJ-OAHLLOKOSA-N 0 3 307.438 3.454 20 30 DGEDHN O=C(C[C@@H]1CCCC[C@H]1O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000329158362 434366444 /nfs/dbraw/zinc/36/64/44/434366444.db2.gz WVMPGMGCIDRHHX-OKZBNKHCSA-N 0 3 316.445 3.159 20 30 DGEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000340803492 434366831 /nfs/dbraw/zinc/36/68/31/434366831.db2.gz GPZINUVTVCXQLD-CVEARBPZSA-N 0 3 305.466 3.182 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2OC(F)F)c(Cl)c1 ZINC000348522384 434370487 /nfs/dbraw/zinc/37/04/87/434370487.db2.gz XCYFBRALQMJGDO-OLZOCXBDSA-N 0 3 300.736 3.462 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ccnc(C#N)c1 ZINC000390842445 434372344 /nfs/dbraw/zinc/37/23/44/434372344.db2.gz DMETURBZLTVGCQ-IBGZPJMESA-N 0 3 320.440 3.088 20 30 DGEDHN CC(C)[C@H](O)C1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000329212705 434373643 /nfs/dbraw/zinc/37/36/43/434373643.db2.gz IEFOMRXCZBOEMZ-HOTGVXAUSA-N 0 3 308.466 3.147 20 30 DGEDHN C=CCC[C@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1ccco1 ZINC000287510759 434377547 /nfs/dbraw/zinc/37/75/47/434377547.db2.gz ODHJHBMBLYXDEZ-CVEARBPZSA-N 0 3 314.433 3.279 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)c1cc(C#N)ccc1Cl ZINC000287358003 434345196 /nfs/dbraw/zinc/34/51/96/434345196.db2.gz NQCUGVHWDXBTLT-UHFFFAOYSA-N 0 3 319.836 3.160 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287367493 434345621 /nfs/dbraw/zinc/34/56/21/434345621.db2.gz OLHCUMMSSBKFLB-ARFHVFGLSA-N 0 3 304.434 3.187 20 30 DGEDHN CC(C)OCCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437892234 434359452 /nfs/dbraw/zinc/35/94/52/434359452.db2.gz RHPMMQPEQBCVFT-UHFFFAOYSA-N 0 3 312.360 3.407 20 30 DGEDHN Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@H](C)C2(CCC2)C1 ZINC000329101866 434359638 /nfs/dbraw/zinc/35/96/38/434359638.db2.gz FHVUMMIPOBSPEK-CABCVRRESA-N 0 3 318.465 3.254 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000329613516 434442519 /nfs/dbraw/zinc/44/25/19/434442519.db2.gz OWXXNJXMUYSQGB-QAPCUYQASA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000329613516 434442533 /nfs/dbraw/zinc/44/25/33/434442533.db2.gz OWXXNJXMUYSQGB-QAPCUYQASA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000329613517 434443800 /nfs/dbraw/zinc/44/38/00/434443800.db2.gz OWXXNJXMUYSQGB-YJBOKZPZSA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000329613517 434443810 /nfs/dbraw/zinc/44/38/10/434443810.db2.gz OWXXNJXMUYSQGB-YJBOKZPZSA-N 0 3 324.428 3.327 20 30 DGEDHN C[C@@H]1CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000329609215 434445128 /nfs/dbraw/zinc/44/51/28/434445128.db2.gz NIIIIPNNYIERDB-RVZJWNSFSA-N 0 3 324.428 3.094 20 30 DGEDHN Cc1cc(CN2CCC(CO)(c3ccccc3)CC2)ccc1C#N ZINC000353748531 434398837 /nfs/dbraw/zinc/39/88/37/434398837.db2.gz QMALQLHCESLCPP-UHFFFAOYSA-N 0 3 320.436 3.393 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000287639803 434417677 /nfs/dbraw/zinc/41/76/77/434417677.db2.gz GEBVBVZGYDMFKS-KXBFYZLASA-N 0 3 307.397 3.305 20 30 DGEDHN CCc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cnn1CC(C)C ZINC000329482716 434421332 /nfs/dbraw/zinc/42/13/32/434421332.db2.gz DVRKEZYJTLQLNX-AWEZNQCLSA-N 0 3 318.465 3.057 20 30 DGEDHN C[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)cc1F ZINC000423446830 434427551 /nfs/dbraw/zinc/42/75/51/434427551.db2.gz ZEMFBYIDVLZYFS-YJYMSZOUSA-N 0 3 309.388 3.235 20 30 DGEDHN CC(C)(CC#N)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000457984474 434428767 /nfs/dbraw/zinc/42/87/67/434428767.db2.gz CYJLRCJQVQITAD-UHFFFAOYSA-N 0 3 313.445 3.342 20 30 DGEDHN C[C@@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)cc1F ZINC000423446827 434429937 /nfs/dbraw/zinc/42/99/37/434429937.db2.gz ZEMFBYIDVLZYFS-BFUOFWGJSA-N 0 3 309.388 3.235 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000359982729 434461241 /nfs/dbraw/zinc/46/12/41/434461241.db2.gz YIBOSOQDDPHARN-CQSZACIVSA-N 0 3 307.397 3.362 20 30 DGEDHN CCOC[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000458077981 434470795 /nfs/dbraw/zinc/47/07/95/434470795.db2.gz JPHLSBLJADJGTJ-ROUUACIJSA-N 0 3 314.429 3.177 20 30 DGEDHN CO[C@@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000353860624 434487452 /nfs/dbraw/zinc/48/74/52/434487452.db2.gz YDFSVTZGPIOLDG-HXUWFJFHSA-N 0 3 322.408 3.358 20 30 DGEDHN CC1CCN([C@H](CNC(=O)CCCC#N)c2ccccc2)CC1 ZINC000360032981 434488050 /nfs/dbraw/zinc/48/80/50/434488050.db2.gz MKHFQAVZQAAQNR-GOSISDBHSA-N 0 3 313.445 3.270 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1cncc(C#N)n1 ZINC000401341769 434495866 /nfs/dbraw/zinc/49/58/66/434495866.db2.gz VLUXKLFUSGDAJA-KRWDZBQOSA-N 0 3 321.428 3.061 20 30 DGEDHN CC[C@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000438507328 434496513 /nfs/dbraw/zinc/49/65/13/434496513.db2.gz JJYPYXMNPYKDKS-LPMVOBIJSA-N 0 3 305.466 3.038 20 30 DGEDHN CCC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341036181 434504120 /nfs/dbraw/zinc/50/41/20/434504120.db2.gz JGNGNFVXTCVAQP-LJQANCHMSA-N 0 3 321.424 3.305 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2ccncc2)C1 ZINC000451003857 434529148 /nfs/dbraw/zinc/52/91/48/434529148.db2.gz MAVCWYXTKDUIOW-QGZVFWFLSA-N 0 3 307.397 3.341 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CCCC[C@H]2C)CC1 ZINC000458322567 434540150 /nfs/dbraw/zinc/54/01/50/434540150.db2.gz OLKHFLNQESIHRG-QAPCUYQASA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@](CO)(C(C)C)C2)cc1OC ZINC000368229906 434568308 /nfs/dbraw/zinc/56/83/08/434568308.db2.gz YCXICTFMHZVEIE-IBGZPJMESA-N 0 3 319.445 3.100 20 30 DGEDHN N#CCc1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc1 ZINC000369351434 434593108 /nfs/dbraw/zinc/59/31/08/434593108.db2.gz CRIVOLPUERSTCI-GOSISDBHSA-N 0 3 311.429 3.488 20 30 DGEDHN CCc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424063713 434612933 /nfs/dbraw/zinc/61/29/33/434612933.db2.gz INKKVNULHLTYGW-IRXDYDNUSA-N 0 3 301.434 3.083 20 30 DGEDHN Cc1nc(-c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)cs1 ZINC000424068425 434614285 /nfs/dbraw/zinc/61/42/85/434614285.db2.gz RZUSGDWUZAKODZ-CQSZACIVSA-N 0 3 314.414 3.078 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1cc(C#N)cs1 ZINC000349145468 434617670 /nfs/dbraw/zinc/61/76/70/434617670.db2.gz FNUMCRSFUAMSHV-UHFFFAOYSA-N 0 3 302.447 3.291 20 30 DGEDHN CCCCOc1ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424094199 434620465 /nfs/dbraw/zinc/62/04/65/434620465.db2.gz UBGNWYQJRWEMSC-HNNXBMFYSA-N 0 3 303.406 3.134 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000424086836 434620901 /nfs/dbraw/zinc/62/09/01/434620901.db2.gz HDODSMLMIBZGFC-ROUUACIJSA-N 0 3 311.429 3.076 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1Cl ZINC000424115628 434625364 /nfs/dbraw/zinc/62/53/64/434625364.db2.gz AQYMJCZMYNQSLX-BXKDBHETSA-N 0 3 314.216 3.192 20 30 DGEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OCCC(C)C ZINC000424123257 434627006 /nfs/dbraw/zinc/62/70/06/434627006.db2.gz KRMGMVQBWMUGPR-MRXNPFEDSA-N 0 3 317.433 3.380 20 30 DGEDHN CC(C)(CCCc1ccccc1)CNC(=O)[C@@H](N)CCCC#N ZINC000424122242 434627222 /nfs/dbraw/zinc/62/72/22/434627222.db2.gz IZJVTFZNKFQEBD-KRWDZBQOSA-N 0 3 315.461 3.173 20 30 DGEDHN Cc1cccc(-c2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)c1 ZINC000424118275 434627853 /nfs/dbraw/zinc/62/78/53/434627853.db2.gz DBULNSBBXJCTPD-LJQANCHMSA-N 0 3 321.424 3.299 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389418 434645480 /nfs/dbraw/zinc/64/54/80/434645480.db2.gz NOQAWTOYEZNUQM-ZWKOTPCHSA-N 0 3 300.446 3.035 20 30 DGEDHN Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](N)CCCC#N)c1C ZINC000424132519 434630496 /nfs/dbraw/zinc/63/04/96/434630496.db2.gz YCJJHUOUGUZVLS-MSOLQXFVSA-N 0 3 313.445 3.378 20 30 DGEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)Cc1cccc(Cl)c1 ZINC000424125160 434630963 /nfs/dbraw/zinc/63/09/63/434630963.db2.gz NLWVCPCETLYIMN-HNNXBMFYSA-N 0 3 321.852 3.046 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000424125400 434631110 /nfs/dbraw/zinc/63/11/10/434631110.db2.gz NTZRKEATKALBQK-ZDUSSCGKSA-N 0 3 313.323 3.141 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)[C@H](CC)C2)C1=O ZINC000410390119 434644003 /nfs/dbraw/zinc/64/40/03/434644003.db2.gz OOLHHEGDKBVOQJ-NEWSRXKRSA-N 0 3 312.457 3.289 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1Cl ZINC000439456701 434606542 /nfs/dbraw/zinc/60/65/42/434606542.db2.gz ZGLQSYIXVJCWHI-YOEHRIQHSA-N 0 3 320.820 3.423 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1Cl ZINC000439456699 434606674 /nfs/dbraw/zinc/60/66/74/434606674.db2.gz ZGLQSYIXVJCWHI-WMLDXEAASA-N 0 3 320.820 3.423 20 30 DGEDHN CC(C(=O)Nc1ccc(Br)c(C#N)c1)C(F)(F)F ZINC000410974702 434693406 /nfs/dbraw/zinc/69/34/06/434693406.db2.gz XZPMKIAWTJQJIO-ZCFIWIBFSA-N 0 3 321.096 3.458 20 30 DGEDHN COc1sc(CN[C@@H]2CC[C@H](C#N)C2)cc1Br ZINC000424188953 434648224 /nfs/dbraw/zinc/64/82/24/434648224.db2.gz CTWGJKDIZZTPEX-DTWKUNHWSA-N 0 3 315.236 3.301 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000439973819 434666646 /nfs/dbraw/zinc/66/66/46/434666646.db2.gz OMENLBSSJGEPPS-NSHDSACASA-N 0 3 321.218 3.315 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](OC)C23CCC3)cc1OC ZINC000459734394 434683000 /nfs/dbraw/zinc/68/30/00/434683000.db2.gz HBRWWZOWKSAFEA-ZWKOTPCHSA-N 0 3 317.429 3.307 20 30 DGEDHN COc1cc(CNC[C@H](C)Oc2ccccc2F)ccc1C#N ZINC000440816936 434746954 /nfs/dbraw/zinc/74/69/54/434746954.db2.gz OEKPFRIYJXJVKY-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424337595 434703934 /nfs/dbraw/zinc/70/39/34/434703934.db2.gz ZPLBGNIAKHEBJU-MJBXVCDLSA-N 0 3 316.401 3.424 20 30 DGEDHN COc1cc(CN[C@@H]2CCCO[C@@H]2CC(C)C)ccc1C#N ZINC000440634210 434729086 /nfs/dbraw/zinc/72/90/86/434729086.db2.gz HHXXMYWKBOTSKU-SJLPKXTDSA-N 0 3 302.418 3.250 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(CC#N)cc1)C(=O)OC(C)(C)C ZINC000459826552 434730480 /nfs/dbraw/zinc/73/04/80/434730480.db2.gz MHICRJFACKDRGP-AWEZNQCLSA-N 0 3 302.418 3.162 20 30 DGEDHN COc1cc(CNCCOc2ccc(Cl)cc2)ccc1C#N ZINC000440802561 434744709 /nfs/dbraw/zinc/74/47/09/434744709.db2.gz DLESTNSYGIZMDN-UHFFFAOYSA-N 0 3 316.788 3.389 20 30 DGEDHN COc1ccccc1NC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000411335413 434762815 /nfs/dbraw/zinc/76/28/15/434762815.db2.gz GUEODDDPRQGAKW-CQSZACIVSA-N 0 3 315.417 3.038 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419326678 434773025 /nfs/dbraw/zinc/77/30/25/434773025.db2.gz MLFIXSRQJKKJLR-MPGHIAIKSA-N 0 3 307.482 3.187 20 30 DGEDHN CC(=O)N[C@H](C)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411548532 434799680 /nfs/dbraw/zinc/79/96/80/434799680.db2.gz DZDYMESSERTDOX-OAHLLOKOSA-N 0 3 305.466 3.087 20 30 DGEDHN COC(=O)CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411510186 434792006 /nfs/dbraw/zinc/79/20/06/434792006.db2.gz XXZCIXASPGGACN-CQSZACIVSA-N 0 3 308.381 3.439 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411611709 434808039 /nfs/dbraw/zinc/80/80/39/434808039.db2.gz KSRJTDFLTLSKHG-MRXNPFEDSA-N 0 3 313.445 3.294 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000411650773 434813731 /nfs/dbraw/zinc/81/37/31/434813731.db2.gz UKOHDFRDRJZTQE-UHFFFAOYSA-N 0 3 324.852 3.066 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000424872663 434821481 /nfs/dbraw/zinc/82/14/81/434821481.db2.gz AGVJXEGYDBFYQH-UHFFFAOYSA-N 0 3 320.433 3.176 20 30 DGEDHN COC(=O)[C@]1(C)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000412060712 434863057 /nfs/dbraw/zinc/86/30/57/434863057.db2.gz GRJAMEPFSLWDPB-LJQANCHMSA-N 0 3 314.429 3.263 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411800094 434830024 /nfs/dbraw/zinc/83/00/24/434830024.db2.gz ZCPDQDRNBFBPHO-CVEARBPZSA-N 0 3 302.349 3.304 20 30 DGEDHN N#Cc1cccc(OCCCN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411951257 434847901 /nfs/dbraw/zinc/84/79/01/434847901.db2.gz RVURLAJGAQMAAQ-QUCCMNQESA-N 0 3 322.408 3.135 20 30 DGEDHN N#Cc1ccccc1N1CCN(c2ccnc3ccccc32)CC1 ZINC000521362526 434881145 /nfs/dbraw/zinc/88/11/45/434881145.db2.gz NZGOGZLFIPGPHZ-UHFFFAOYSA-N 0 3 314.392 3.433 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2CCCC3)CC1 ZINC000521656625 434892118 /nfs/dbraw/zinc/89/21/18/434892118.db2.gz SUZOQQLYFBYIQZ-UHFFFAOYSA-N 0 3 313.445 3.337 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000491992179 434896552 /nfs/dbraw/zinc/89/65/52/434896552.db2.gz SRCLSWIPAXAPRA-VAWYXSNFSA-N 0 3 319.408 3.314 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000492004808 434897631 /nfs/dbraw/zinc/89/76/31/434897631.db2.gz CHLPLJQRSOZRLW-ZHACJKMWSA-N 0 3 319.408 3.314 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000573562828 434908334 /nfs/dbraw/zinc/90/83/34/434908334.db2.gz BWJGLSVDUNQWAU-UHFFFAOYSA-N 0 3 314.433 3.091 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000492079048 434911453 /nfs/dbraw/zinc/91/14/53/434911453.db2.gz HTNYNQQFFUSMHA-SJORKVTESA-N 0 3 301.434 3.039 20 30 DGEDHN CC(C)(C)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000554102442 434913763 /nfs/dbraw/zinc/91/37/63/434913763.db2.gz RTFXWDDAMCWERO-MRXNPFEDSA-N 0 3 311.429 3.429 20 30 DGEDHN CC[C@H](CNC(=O)C(C)C#N)Cc1cccc(Br)c1 ZINC000522974478 434936427 /nfs/dbraw/zinc/93/64/27/434936427.db2.gz OTTFVGVJZNURIB-RYUDHWBXSA-N 0 3 323.234 3.294 20 30 DGEDHN CCN(CC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000463370623 434956053 /nfs/dbraw/zinc/95/60/53/434956053.db2.gz SIXGSSWPDJTZSN-KRWDZBQOSA-N 0 3 313.445 3.422 20 30 DGEDHN CN1CCC[C@]2(CCN(c3ccc4cc(C#N)ccc4n3)C2)C1 ZINC000555204049 434965338 /nfs/dbraw/zinc/96/53/38/434965338.db2.gz KVXXQWUOOAIARU-IBGZPJMESA-N 0 3 306.413 3.029 20 30 DGEDHN COc1cccc([C@@H](CNCc2cc(C#N)cs2)OC)c1 ZINC000527733721 435014340 /nfs/dbraw/zinc/01/43/40/435014340.db2.gz FFYPTNIYGDHILD-MRXNPFEDSA-N 0 3 302.399 3.106 20 30 DGEDHN N#CC1(CCN2CCC(OC[C@@H]3CCOC3)CC2)CCCCC1 ZINC000556808456 435027348 /nfs/dbraw/zinc/02/73/48/435027348.db2.gz IVDCDZHWVIPWMF-QGZVFWFLSA-N 0 3 320.477 3.368 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000529044097 435032028 /nfs/dbraw/zinc/03/20/28/435032028.db2.gz JYFVZVZEFUEMCP-GZNBLNABSA-N 0 3 304.415 3.256 20 30 DGEDHN C[C@@H](CCc1ccccc1)N1CCN(c2cnccc2C#N)CC1 ZINC000555650790 434982811 /nfs/dbraw/zinc/98/28/11/434982811.db2.gz QCWSOQACNGUGJN-KRWDZBQOSA-N 0 3 320.440 3.097 20 30 DGEDHN C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CN1C1CC1 ZINC000574499945 434983424 /nfs/dbraw/zinc/98/34/24/434983424.db2.gz DFMUFRBPJHIQLR-KOLCDFICSA-N 0 3 310.323 3.009 20 30 DGEDHN N#CCNC(=O)CN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000464728958 434995040 /nfs/dbraw/zinc/99/50/40/434995040.db2.gz HMLUPESLKDZPDU-QZTJIDSGSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CCCCN1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464760915 434997340 /nfs/dbraw/zinc/99/73/40/434997340.db2.gz BRGMGEVRCXXDAA-OAHLLOKOSA-N 0 3 320.864 3.381 20 30 DGEDHN C[C@@H](Cc1ccsc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525830807 435009013 /nfs/dbraw/zinc/00/90/13/435009013.db2.gz UUUZXJTZCFZUKK-SUMWQHHRSA-N 0 3 323.421 3.049 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2CCCC3)nc(C)n1 ZINC000556479877 435009598 /nfs/dbraw/zinc/00/95/98/435009598.db2.gz BWZNBBDCWPBGMU-QGZVFWFLSA-N 0 3 305.381 3.462 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H]1CNCc2ccccc21 ZINC000577058136 435058509 /nfs/dbraw/zinc/05/85/09/435058509.db2.gz YKHYGIWVFCFMFR-KRWDZBQOSA-N 0 3 312.438 3.150 20 30 DGEDHN CC[C@H]1CN(c2cc(C)nc(C#N)c2)CCN1Cc1ccccc1 ZINC000557632489 435060706 /nfs/dbraw/zinc/06/07/06/435060706.db2.gz KTUOFJWNZKOMGQ-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C3CCCC3)C2)cc1 ZINC000577738522 435062374 /nfs/dbraw/zinc/06/23/74/435062374.db2.gz YJAGAGPXOLKXSP-OALUTQOASA-N 0 3 321.424 3.279 20 30 DGEDHN CC(C)C[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000466745008 435090657 /nfs/dbraw/zinc/09/06/57/435090657.db2.gz XDQRGBWATYSKBG-INIZCTEOSA-N 0 3 305.466 3.039 20 30 DGEDHN C=C[C@H](CC(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1 ZINC000638670749 435067738 /nfs/dbraw/zinc/06/77/38/435067738.db2.gz JQBXWKVGOSFVID-OAHLLOKOSA-N 0 3 322.408 3.467 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000466385801 435074247 /nfs/dbraw/zinc/07/42/47/435074247.db2.gz KAESFCNXPGYASZ-INIZCTEOSA-N 0 3 321.440 3.254 20 30 DGEDHN CCC[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000466481606 435077957 /nfs/dbraw/zinc/07/79/57/435077957.db2.gz IYYHOEKHBMTKDX-INIZCTEOSA-N 0 3 305.466 3.183 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCC(C)(C)C2)CC1 ZINC000474331368 435146152 /nfs/dbraw/zinc/14/61/52/435146152.db2.gz NSCIYHZPFRSDKE-INIZCTEOSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@H](C)c2c(C)cc(C)cc2C)C1=O ZINC000532217123 435148653 /nfs/dbraw/zinc/14/86/53/435148653.db2.gz LTADEDPUZLQKAZ-IAGOWNOFSA-N 0 3 300.446 3.392 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000466763871 435092951 /nfs/dbraw/zinc/09/29/51/435092951.db2.gz KVQOCLFEDXTIGY-GOSISDBHSA-N 0 3 317.477 3.361 20 30 DGEDHN C=C(C)CN(CC)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000559031761 435119325 /nfs/dbraw/zinc/11/93/25/435119325.db2.gz PQZYONBGTMLQQI-WMLDXEAASA-N 0 3 304.409 3.386 20 30 DGEDHN Cc1cccc(OC[C@@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000561191395 435205142 /nfs/dbraw/zinc/20/51/42/435205142.db2.gz CCUURJPWNHGNIQ-AZUAARDMSA-N 0 3 324.424 3.369 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000496495357 435217892 /nfs/dbraw/zinc/21/78/92/435217892.db2.gz TULAQFHQZUERII-OAHLLOKOSA-N 0 3 307.438 3.013 20 30 DGEDHN CN(CCC(C)(C)C#N)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496532182 435221989 /nfs/dbraw/zinc/22/19/89/435221989.db2.gz YPSKCECLMTVHHP-AWEZNQCLSA-N 0 3 309.454 3.161 20 30 DGEDHN CN(C[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1)C(=O)OC(C)(C)C ZINC000496563741 435225943 /nfs/dbraw/zinc/22/59/43/435225943.db2.gz JANPBMXRHVTHKN-JYJNAYRXSA-N 0 3 321.465 3.258 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496402723 435211988 /nfs/dbraw/zinc/21/19/88/435211988.db2.gz YEMKEAMFOHIBBR-QLFBSQMISA-N 0 3 309.454 3.161 20 30 DGEDHN CC(C)N(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CC1 ZINC000533358716 435230127 /nfs/dbraw/zinc/23/01/27/435230127.db2.gz QFRBOAPEKWUNGN-UHFFFAOYSA-N 0 3 305.809 3.271 20 30 DGEDHN COC(=O)CC1(NCC#Cc2ccc(F)cc2)CCCCC1 ZINC000533391269 435232024 /nfs/dbraw/zinc/23/20/24/435232024.db2.gz BRBYEPHFCZHAPC-UHFFFAOYSA-N 0 3 303.377 3.033 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000582316226 435239341 /nfs/dbraw/zinc/23/93/41/435239341.db2.gz GEKWQQLEAMBNSE-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCCCCCNCc1cnn2cc(Br)cnc12 ZINC000639313568 435241539 /nfs/dbraw/zinc/24/15/39/435241539.db2.gz XYDOAXADZHNMDM-UHFFFAOYSA-N 0 3 323.238 3.328 20 30 DGEDHN C[C@@H](NCCNc1ccc2ccccc2n1)c1cccc(C#N)c1 ZINC000583458168 435242640 /nfs/dbraw/zinc/24/26/40/435242640.db2.gz RTZVNQXRXAYVKZ-OAHLLOKOSA-N 0 3 316.408 3.869 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000496879160 298364972 /nfs/dbraw/zinc/36/49/72/298364972.db2.gz BILCSDQCVLEJKC-CRAIPNDOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000477299237 435265079 /nfs/dbraw/zinc/26/50/79/435265079.db2.gz MDQWTEFVXLAHMA-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000496879163 435266801 /nfs/dbraw/zinc/26/68/01/435266801.db2.gz BILCSDQCVLEJKC-YJBOKZPZSA-N 0 3 321.465 3.402 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1cccc(CC#N)c1 ZINC000584081033 435271869 /nfs/dbraw/zinc/27/18/69/435271869.db2.gz FCRHMBXPNYQJFU-UHFFFAOYSA-N 0 3 322.412 3.422 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C1(CC)CC ZINC000584180492 435281016 /nfs/dbraw/zinc/28/10/16/435281016.db2.gz QBKJNTHXDXPWPX-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN CC(C)(C#N)CCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000566806289 435290500 /nfs/dbraw/zinc/29/05/00/435290500.db2.gz ZNCNOSFMGRJESZ-QAQDUYKDSA-N 0 3 316.445 3.438 20 30 DGEDHN N#Cc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000506357417 435308559 /nfs/dbraw/zinc/30/85/59/435308559.db2.gz RBABLFBWCDLWQH-WOJBJXKFSA-N 0 3 317.436 3.484 20 30 DGEDHN OC[C@H](C1CC1)N(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000535849101 435360113 /nfs/dbraw/zinc/36/01/13/435360113.db2.gz NRHXDJAZSCOYRR-OAQYLSRUSA-N 0 3 323.411 3.450 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(Br)ccc1F ZINC000537095158 435424154 /nfs/dbraw/zinc/42/41/54/435424154.db2.gz MKQSNSWOYDFEQQ-MNOVXSKESA-N 0 3 316.214 3.423 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000568211956 435409663 /nfs/dbraw/zinc/40/96/63/435409663.db2.gz OZSKOQRYDBAIPT-LSDHHAIUSA-N 0 3 316.470 3.273 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000515140794 435466153 /nfs/dbraw/zinc/46/61/53/435466153.db2.gz HCBFXAQBJPAQQB-QGZVFWFLSA-N 0 3 312.457 3.488 20 30 DGEDHN Cc1nnc(SCCN2C[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000515312801 435474116 /nfs/dbraw/zinc/47/41/16/435474116.db2.gz QGWZRHUZYGDFGB-TXEJJXNPSA-N 0 3 304.463 3.035 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2OC(F)F)[C@H]2CCO[C@@H]21 ZINC000569315991 435523230 /nfs/dbraw/zinc/52/32/30/435523230.db2.gz CDIMMLYHAJBTRA-YUELXQCFSA-N 0 3 322.355 3.063 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H]3CN(C)C[C@H]32)cc1Cl ZINC000644841822 435526238 /nfs/dbraw/zinc/52/62/38/435526238.db2.gz SBBAIBZCCMJGFN-GOEBONIOSA-N 0 3 306.837 3.041 20 30 DGEDHN C=CC[C@@H](CO)CNCc1csc(-c2ccc(C)cc2)n1 ZINC000538122588 435483051 /nfs/dbraw/zinc/48/30/51/435483051.db2.gz IGNVXUURBNJGKC-CQSZACIVSA-N 0 3 302.443 3.393 20 30 DGEDHN CC(C)(C)c1ccc(OC[C@@H](O)CNCC(C)(C)CC#N)cc1 ZINC000568977197 435490486 /nfs/dbraw/zinc/49/04/86/435490486.db2.gz QBRWJXWOPFXSMJ-INIZCTEOSA-N 0 3 318.461 3.253 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000644947543 435547336 /nfs/dbraw/zinc/54/73/36/435547336.db2.gz UPMPQUQKLOJVCJ-HNNXBMFYSA-N 0 3 306.475 3.138 20 30 DGEDHN COCCN(CC#Cc1ccc(F)cc1)C[C@H]1CC=CCC1 ZINC000485100002 435559326 /nfs/dbraw/zinc/55/93/26/435559326.db2.gz AOFDSURGBAPYOP-SFHVURJKSA-N 0 3 301.405 3.482 20 30 DGEDHN C=C[C@H](CC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000649357492 435568955 /nfs/dbraw/zinc/56/89/55/435568955.db2.gz LTTVDXBAODQYQS-MRXNPFEDSA-N 0 3 306.409 3.266 20 30 DGEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000486798130 435616888 /nfs/dbraw/zinc/61/68/88/435616888.db2.gz JYAKZIOLIOLVMN-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2c(Cl)cccc2OC)CC1 ZINC000640722929 435634452 /nfs/dbraw/zinc/63/44/52/435634452.db2.gz SHXDTXPAEXFXCS-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1CCN(C2CC2)C1 ZINC000518523275 435642945 /nfs/dbraw/zinc/64/29/45/435642945.db2.gz IVODLCFFQNNJQL-GFCCVEGCSA-N 0 3 312.804 3.408 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)CC1 ZINC000488838714 435643798 /nfs/dbraw/zinc/64/37/98/435643798.db2.gz DRECRSATORZHIE-KRWDZBQOSA-N 0 3 319.493 3.247 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)ccc1OC ZINC000541891218 435645401 /nfs/dbraw/zinc/64/54/01/435645401.db2.gz YOLYWOYUQIKRLX-DOTOQJQBSA-N 0 3 319.445 3.243 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000645946254 435724753 /nfs/dbraw/zinc/72/47/53/435724753.db2.gz CXIGYSWDXWBZHY-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(C)C ZINC000491737524 435803567 /nfs/dbraw/zinc/80/35/67/435803567.db2.gz QMXQFUXLXOSMDJ-JSGCOSHPSA-N 0 3 322.836 3.313 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000641760621 435813476 /nfs/dbraw/zinc/81/34/76/435813476.db2.gz VOVKHGWNJAEFJD-CYBMUJFWSA-N 0 3 303.324 3.044 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](NCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000651751236 435813957 /nfs/dbraw/zinc/81/39/57/435813957.db2.gz PXHHCZMHTATJHT-GDBMZVCRSA-N 0 3 302.418 3.358 20 30 DGEDHN C#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000491793824 435815099 /nfs/dbraw/zinc/81/50/99/435815099.db2.gz NMSFZJMOTYKKBR-QGZVFWFLSA-N 0 3 316.832 3.005 20 30 DGEDHN CC#CC[C@H](CO)NC/C(C)=C\c1ccccc1OC(F)F ZINC000641768316 435815294 /nfs/dbraw/zinc/81/52/94/435815294.db2.gz ZFXOEMKMUVVQNK-VSKPTYQZSA-N 0 3 309.356 3.055 20 30 DGEDHN CCO[C@H]1C[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000571965591 435763738 /nfs/dbraw/zinc/76/37/38/435763738.db2.gz KAJGWQZXWGDIAG-PMACEKPBSA-N 0 3 322.408 3.404 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000491546190 435769131 /nfs/dbraw/zinc/76/91/31/435769131.db2.gz KFMHTDQPLXIOLH-SREVYHEPSA-N 0 3 304.821 3.120 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000655814065 435821136 /nfs/dbraw/zinc/82/11/36/435821136.db2.gz JCLANCKAEVFNSI-LJQANCHMSA-N 0 3 322.408 3.295 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)CCCC(CC)CC)CC1 ZINC000660705256 435867214 /nfs/dbraw/zinc/86/72/14/435867214.db2.gz UMJLCHRLNKTGMC-UHFFFAOYSA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CCCc3c2ccc(=O)n3C)cc1 ZINC000652044386 435895791 /nfs/dbraw/zinc/89/57/91/435895791.db2.gz LNBCYXDXYMGKIN-SFHVURJKSA-N 0 3 324.424 3.117 20 30 DGEDHN N#Cc1cnn2cc(CN[C@@H](c3ccccc3)C3CCC3)cnc12 ZINC000552401301 435900343 /nfs/dbraw/zinc/90/03/43/435900343.db2.gz RZZFGEAXMDLPOA-SFHVURJKSA-N 0 3 317.396 3.232 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000660859091 435911580 /nfs/dbraw/zinc/91/15/80/435911580.db2.gz VYORZRUURGYDCF-HZPDHXFCSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665366792 435958973 /nfs/dbraw/zinc/95/89/73/435958973.db2.gz IITZNPOBNJPQRG-QGZVFWFLSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000665391957 435966428 /nfs/dbraw/zinc/96/64/28/435966428.db2.gz OAHCVMDELDNSDK-NCOADZHNSA-N 0 3 307.482 3.103 20 30 DGEDHN C=CCOCCN[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000656535148 435968984 /nfs/dbraw/zinc/96/89/84/435968984.db2.gz FRADGJBBBGHSGP-GVDBMIGSSA-N 0 3 307.459 3.117 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCNC2(CCCCC2)C1)c1ccccc1 ZINC000656364107 435940482 /nfs/dbraw/zinc/94/04/82/435940482.db2.gz CZIBHIIBXKDCLR-KRWDZBQOSA-N 0 3 312.457 3.481 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CC1CCN(C)CC1 ZINC000661415921 436060016 /nfs/dbraw/zinc/06/00/16/436060016.db2.gz VHMUTRMKMVVSHM-IRXDYDNUSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(CC)CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000653269971 436150153 /nfs/dbraw/zinc/15/01/53/436150153.db2.gz ASPBFKGSVVUQSD-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN Cc1cc(C)c(NC(=O)N[C@@H](C)CN2CCCCC2)c(C)n1 ZINC000331231655 301183436 /nfs/dbraw/zinc/18/34/36/301183436.db2.gz IHPXNTOJUHTECK-AWEZNQCLSA-N 0 3 304.438 3.207 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)nn1 ZINC000657457859 436211563 /nfs/dbraw/zinc/21/15/63/436211563.db2.gz TUIQLGZIEJGPKL-NVXWUHKLSA-N 0 3 314.408 3.419 20 30 DGEDHN C=CCC1(NCC(=O)Nc2cccc(C(C)=O)c2)CCCC1 ZINC000661865604 436215581 /nfs/dbraw/zinc/21/55/81/436215581.db2.gz RUCUXXVAERRJJG-UHFFFAOYSA-N 0 3 300.402 3.306 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000662077953 436266125 /nfs/dbraw/zinc/26/61/25/436266125.db2.gz GLDWLGZRGZABRX-FJIDUMEYSA-N 0 3 302.462 3.351 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000662086337 436270017 /nfs/dbraw/zinc/27/00/17/436270017.db2.gz RHSHYHCLUVEXGU-CWRNSKLLSA-N 0 3 300.402 3.205 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc2c1CNC2 ZINC000662425284 436346730 /nfs/dbraw/zinc/34/67/30/436346730.db2.gz ZNYPMJTYAPXMDN-UHFFFAOYSA-N 0 3 322.408 3.127 20 30 DGEDHN C=C(CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000654563673 436434468 /nfs/dbraw/zinc/43/44/68/436434468.db2.gz OMDSTJKYPFWNRK-MSOLQXFVSA-N 0 3 313.445 3.016 20 30 DGEDHN C=CCCn1cc(CNC[C@]2(c3ccccc3)CC2(C)C)nn1 ZINC000663365004 436447976 /nfs/dbraw/zinc/44/79/76/436447976.db2.gz DICCJNFNQSSYNH-IBGZPJMESA-N 0 3 310.445 3.312 20 30 DGEDHN C=CCC1(NC(=O)Nc2ccc3c(c2)CNCCO3)CCCC1 ZINC000659021885 436459700 /nfs/dbraw/zinc/45/97/00/436459700.db2.gz KKIYYUAFQDIRSD-UHFFFAOYSA-N 0 3 315.417 3.179 20 30 DGEDHN C=CCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000660213228 436606819 /nfs/dbraw/zinc/60/68/19/436606819.db2.gz BWUSHCYOYQCUDU-OAHLLOKOSA-N 0 3 321.490 3.396 20 30 DGEDHN C=CCC[C@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000664497353 436611146 /nfs/dbraw/zinc/61/11/46/436611146.db2.gz QUOIKTDKQRIHFQ-MSOLQXFVSA-N 0 3 315.461 3.430 20 30 DGEDHN N#C[C@H]1CCC[C@H](NC[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000192812898 303167416 /nfs/dbraw/zinc/16/74/16/303167416.db2.gz NXMVYBOIUHRNAV-QEJZJMRPSA-N 0 3 312.335 3.108 20 30 DGEDHN N#Cc1ccc(CNCCc2cc(Br)ccc2F)o1 ZINC000174308454 312762436 /nfs/dbraw/zinc/76/24/36/312762436.db2.gz WZFSWYPLOSXKDU-UHFFFAOYSA-N 0 3 323.165 3.385 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000174357482 312763087 /nfs/dbraw/zinc/76/30/87/312763087.db2.gz DHXURNCDTGPWMH-BEFAXECRSA-N 0 3 319.408 3.404 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000537640055 313826185 /nfs/dbraw/zinc/82/61/85/313826185.db2.gz WPJAKQPVCXIPOU-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)NCc2cccc(C#N)c2)c1 ZINC000539316815 313907564 /nfs/dbraw/zinc/90/75/64/313907564.db2.gz HKBDDGOENJCVCH-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN CC[C@@H](NCCSCc1ccccc1C#N)c1ccn(C)n1 ZINC000541732264 314034357 /nfs/dbraw/zinc/03/43/57/314034357.db2.gz JGRNEWXGYNOTTC-MRXNPFEDSA-N 0 3 314.458 3.266 20 30 DGEDHN CC1(C)CCCc2cc(C#N)c(N3CC[C@@H](N4CCCC4)C3)nc21 ZINC000562353344 315013112 /nfs/dbraw/zinc/01/31/12/315013112.db2.gz NCGSJDRQTFFBMB-QGZVFWFLSA-N 0 3 324.472 3.242 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2CCOCC2)nc1 ZINC000562371989 315014682 /nfs/dbraw/zinc/01/46/82/315014682.db2.gz SKBADGVQICSHDJ-UHFFFAOYSA-N 0 3 321.424 3.382 20 30 DGEDHN Cc1cnccc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000564527981 315180988 /nfs/dbraw/zinc/18/09/88/315180988.db2.gz SGFGZHMVGOJKGJ-KRWDZBQOSA-N 0 3 324.403 3.159 20 30 DGEDHN COc1ccc(CCN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000564608216 315186323 /nfs/dbraw/zinc/18/63/23/315186323.db2.gz FAHQLHYFYGYYPS-UHFFFAOYSA-N 0 3 324.424 3.258 20 30 DGEDHN N#Cc1ccncc1N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000565869530 315293333 /nfs/dbraw/zinc/29/33/33/315293333.db2.gz UYWUUCAYWPLUDY-IBGZPJMESA-N 0 3 318.424 3.153 20 30 DGEDHN CC[C@H]1CN(Cc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000566415922 315342826 /nfs/dbraw/zinc/34/28/26/315342826.db2.gz GOSRCNWGHRHIRQ-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000566670232 315366516 /nfs/dbraw/zinc/36/65/16/315366516.db2.gz OWLNVKLZEOWPNX-QZTJIDSGSA-N 0 3 306.413 3.336 20 30 DGEDHN Cc1c(C#N)c(N2CC[C@@H](N3CCCC3)C2)nc2ccccc12 ZINC000566895991 315381631 /nfs/dbraw/zinc/38/16/31/315381631.db2.gz BKLIGNRKMLAPKQ-OAHLLOKOSA-N 0 3 306.413 3.089 20 30 DGEDHN C[C@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CO1 ZINC000567165892 315400748 /nfs/dbraw/zinc/40/07/48/315400748.db2.gz AVPQFSPIXYICFM-KXBFYZLASA-N 0 3 322.408 3.404 20 30 DGEDHN C[C@H](NCCCn1c2ccccc2[nH]c1=O)c1ccc(C#N)cc1 ZINC000568368150 315506569 /nfs/dbraw/zinc/50/65/69/315506569.db2.gz SEPSHHZDFATBPJ-AWEZNQCLSA-N 0 3 320.396 3.354 20 30 DGEDHN CC1=CCC[C@@H](C)[C@@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000575068699 316030184 /nfs/dbraw/zinc/03/01/84/316030184.db2.gz LAMBORGROREOSB-SJLPKXTDSA-N 0 3 310.445 3.068 20 30 DGEDHN N#Cc1ncccc1NCC1(N2CCSCC2)CCCCC1 ZINC000577313282 316223114 /nfs/dbraw/zinc/22/31/14/316223114.db2.gz YXAPUOUPWZGANU-UHFFFAOYSA-N 0 3 316.474 3.117 20 30 DGEDHN Cc1nc(C)c(C#N)c(SCCN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000582498057 324237993 /nfs/dbraw/zinc/23/79/93/324237993.db2.gz JJILFLSRWHUNRB-VXGBXAGGSA-N 0 3 304.463 3.035 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc2c[nH]nc2c1 ZINC000582693837 324262152 /nfs/dbraw/zinc/26/21/52/324262152.db2.gz ZVBONGRTMLYHOX-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN CC(C)CC[C@@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000583322916 324339323 /nfs/dbraw/zinc/33/93/23/324339323.db2.gz HCHRBDXKEIDLMP-KRWDZBQOSA-N 0 3 311.433 3.392 20 30 DGEDHN C=CCC[C@H](NC[C@@H](O)COc1ccccc1)c1ccco1 ZINC000556865315 331744071 /nfs/dbraw/zinc/74/40/71/331744071.db2.gz AACTUOUEAVMAKX-WBVHZDCISA-N 0 3 301.386 3.316 20 30 DGEDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000558461655 331909753 /nfs/dbraw/zinc/90/97/53/331909753.db2.gz ISVUOOUECAFYFT-XJKSGUPXSA-N 0 3 317.408 3.239 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000518497169 332066609 /nfs/dbraw/zinc/06/66/09/332066609.db2.gz ZRAALDZJXZUMRK-UHFFFAOYSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCCCCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000572615167 332075797 /nfs/dbraw/zinc/07/57/97/332075797.db2.gz SQRHCZXLBQWIPM-UHFFFAOYSA-N 0 3 303.450 3.294 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC)CCCC2)CC1 ZINC000159335997 332078603 /nfs/dbraw/zinc/07/86/03/332078603.db2.gz UEHVFGCYAATZAX-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093611 332124884 /nfs/dbraw/zinc/12/48/84/332124884.db2.gz CDMLOHVOAWEMAW-QGZVFWFLSA-N 0 3 318.436 3.462 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000097079203 332192396 /nfs/dbraw/zinc/19/23/96/332192396.db2.gz RFYNUPQJUFUQDJ-KRWDZBQOSA-N 0 3 301.434 3.126 20 30 DGEDHN C#CCC(C)(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000185187796 335118255 /nfs/dbraw/zinc/11/82/55/335118255.db2.gz MPQQTYOAEXTOGS-UHFFFAOYSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000182215741 333205073 /nfs/dbraw/zinc/20/50/73/333205073.db2.gz JQFVOROHAATDHV-CQSZACIVSA-N 0 3 307.463 3.103 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ncccc1CC)C(C)C ZINC000500708424 333253081 /nfs/dbraw/zinc/25/30/81/333253081.db2.gz DSAWWJHJOZEXCQ-KRWDZBQOSA-N 0 3 315.461 3.072 20 30 DGEDHN C=CC[C@H](C(=O)NCCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000188266021 333362181 /nfs/dbraw/zinc/36/21/81/333362181.db2.gz QLBAWNWCWHFUER-AEFFLSMTSA-N 0 3 300.446 3.194 20 30 DGEDHN Cc1ccccc1C[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000343467524 335167322 /nfs/dbraw/zinc/16/73/22/335167322.db2.gz MSTVVGIVQYLWBX-KBXCAEBGSA-N 0 3 312.388 3.260 20 30 DGEDHN C[C@@H](NCCOCCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000293732172 334201504 /nfs/dbraw/zinc/20/15/04/334201504.db2.gz ZJEFJQMBJUQBOB-OAHLLOKOSA-N 0 3 311.385 3.455 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)NC(C)(C)c1cccs1 ZINC000348311390 335575456 /nfs/dbraw/zinc/57/54/56/335575456.db2.gz BUIFNCYJOMPARQ-MLGOLLRUSA-N 0 3 307.463 3.016 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000097079201 335839426 /nfs/dbraw/zinc/83/94/26/335839426.db2.gz CWUVDLCFCDCLHP-QAPCUYQASA-N 0 3 315.461 3.372 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000352806450 336242391 /nfs/dbraw/zinc/24/23/91/336242391.db2.gz RCVKJRKKFFLUFM-GMSGAONNSA-N 0 3 322.233 3.167 20 30 DGEDHN C=C(C)CN1CCC(Nc2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000302217315 336354427 /nfs/dbraw/zinc/35/44/27/336354427.db2.gz KDTDBYGDOCQBHD-UHFFFAOYSA-N 0 3 319.405 3.446 20 30 DGEDHN C=CCSCCN[C@H](C)c1ccc(Br)cn1 ZINC000390413353 336939066 /nfs/dbraw/zinc/93/90/66/336939066.db2.gz FYLDKCNJVYLFJQ-SNVBAGLBSA-N 0 3 301.253 3.414 20 30 DGEDHN C[C@]1(NCc2cccc(OCCCC#N)c2)CCO[C@H]1C1CC1 ZINC000378650982 337077695 /nfs/dbraw/zinc/07/76/95/337077695.db2.gz PTPANXIWLVESBP-OALUTQOASA-N 0 3 314.429 3.416 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(Br)ccc1F ZINC000320993816 337149320 /nfs/dbraw/zinc/14/93/20/337149320.db2.gz JPMCSDLZFHHKIA-GFCCVEGCSA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCOc1ccc(CN2CCC(CC#N)CC2)cc1OC ZINC000542853524 337837510 /nfs/dbraw/zinc/83/75/10/337837510.db2.gz INZLXSSATZJAKC-UHFFFAOYSA-N 0 3 300.402 3.386 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)CC(C)C)CC1 ZINC000083651104 337995997 /nfs/dbraw/zinc/99/59/97/337995997.db2.gz XJKQVALVPKQGCA-UHFFFAOYSA-N 0 3 309.498 3.398 20 30 DGEDHN C=CCOc1ccc(C(=O)NCCN2CCCC[C@H]2CC)cc1 ZINC000499668176 340042534 /nfs/dbraw/zinc/04/25/34/340042534.db2.gz KEVBHJKNGWHELO-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000513218435 340397759 /nfs/dbraw/zinc/39/77/59/340397759.db2.gz MOQJRMNGBNSDPO-CQSZACIVSA-N 0 3 320.864 3.432 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](CO)Cc2ccccc2C)c1 ZINC000188939548 340523594 /nfs/dbraw/zinc/52/35/94/340523594.db2.gz KFUYYQASKKVDFO-LJQANCHMSA-N 0 3 311.425 3.253 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000193155373 340573257 /nfs/dbraw/zinc/57/32/57/340573257.db2.gz ROPVJCQPSZJMCP-MRXNPFEDSA-N 0 3 315.417 3.069 20 30 DGEDHN COc1ccc([C@@H](NCc2ccc(CC#N)cc2)C2CC2)cn1 ZINC000528853187 340736879 /nfs/dbraw/zinc/73/68/79/340736879.db2.gz QHTBFWAFSRNQHO-IBGZPJMESA-N 0 3 307.397 3.397 20 30 DGEDHN N#CC1(NC(=O)CN[C@H](c2cccs2)C2CC2)CCCCC1 ZINC000539364578 340882440 /nfs/dbraw/zinc/88/24/40/340882440.db2.gz DKNXXRGPMXLRBG-INIZCTEOSA-N 0 3 317.458 3.131 20 30 DGEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000539480947 340886578 /nfs/dbraw/zinc/88/65/78/340886578.db2.gz OYDRDTSGFGLIQR-AEFFLSMTSA-N 0 3 319.832 3.403 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2cccc(C)c2)C1 ZINC000544190949 341073923 /nfs/dbraw/zinc/07/39/23/341073923.db2.gz BGHRPQSUYKNTOG-SFHVURJKSA-N 0 3 300.446 3.209 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC(C)(C)CC2)CC1 ZINC000074130083 341129489 /nfs/dbraw/zinc/12/94/89/341129489.db2.gz XZEBPSKYRSFILO-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2c(C)cccc2C)CC1 ZINC000546177302 341155952 /nfs/dbraw/zinc/15/59/52/341155952.db2.gz MXSCCEHVYBXDJS-MRXNPFEDSA-N 0 3 315.461 3.314 20 30 DGEDHN N#CCCCOc1cccc(CNCCc2cscn2)c1 ZINC000076331301 341205695 /nfs/dbraw/zinc/20/56/95/341205695.db2.gz CQVVANIRURWMQE-UHFFFAOYSA-N 0 3 301.415 3.158 20 30 DGEDHN C=CCN1CC[C@H](N(C)C[C@H](C)c2cccc(Cl)c2)C1=O ZINC000547406558 341211519 /nfs/dbraw/zinc/21/15/19/341211519.db2.gz OTLSWOGZYLBVMP-BBRMVZONSA-N 0 3 306.837 3.162 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000077194244 341220388 /nfs/dbraw/zinc/22/03/88/341220388.db2.gz JSYVHPXUILLNBG-PCKAHOCUSA-N 0 3 305.466 3.038 20 30 DGEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(C2CCCC2)CC1 ZINC000548099397 341247151 /nfs/dbraw/zinc/24/71/51/341247151.db2.gz OQMRKXUFAOVMOX-QGZVFWFLSA-N 0 3 303.837 3.465 20 30 DGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)CC1 ZINC000549274429 341290282 /nfs/dbraw/zinc/29/02/82/341290282.db2.gz OTQTXPXOBZBTJM-INIZCTEOSA-N 0 3 319.497 3.146 20 30 DGEDHN C=CCOCCN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000549996486 341308264 /nfs/dbraw/zinc/30/82/64/341308264.db2.gz FYBLRQXHCKWGIV-UHFFFAOYSA-N 0 3 303.324 3.219 20 30 DGEDHN CN(C(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21)C1(C#N)CCCCC1 ZINC000550078466 341309652 /nfs/dbraw/zinc/30/96/52/341309652.db2.gz CXXOEJRLRJWEFP-HOTGVXAUSA-N 0 3 317.477 3.182 20 30 DGEDHN Cc1ccccc1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000550127870 341310626 /nfs/dbraw/zinc/31/06/26/341310626.db2.gz RDQDTCYQLPUYAO-LJQANCHMSA-N 0 3 306.409 3.426 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000247878083 341370770 /nfs/dbraw/zinc/37/07/70/341370770.db2.gz YYOSKSGRFPMDTO-HLLBOEOZSA-N 0 3 307.482 3.151 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)C[C@H]2CC)ccc1OC ZINC000552137775 341372618 /nfs/dbraw/zinc/37/26/18/341372618.db2.gz MCRSJMXUJCMGTO-QGZVFWFLSA-N 0 3 318.461 3.176 20 30 DGEDHN COc1cc2c(cc1CN[C@@H]1CCC[C@@H](C#N)C1)O[C@@H](C)C2 ZINC000249043138 341392608 /nfs/dbraw/zinc/39/26/08/341392608.db2.gz VHIOTGRWBRYKTH-WOSRLPQWSA-N 0 3 300.402 3.191 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)OC2CCCCC2)CC1 ZINC000155969838 341615573 /nfs/dbraw/zinc/61/55/73/341615573.db2.gz MLKXJHMFTHSNPV-SFHVURJKSA-N 0 3 322.493 3.271 20 30 DGEDHN CN(C)Cc1ccnc(NCc2cccc(OCCCC#N)c2)c1 ZINC000157469661 341638838 /nfs/dbraw/zinc/63/88/38/341638838.db2.gz PGXLXFQJQFHIOJ-UHFFFAOYSA-N 0 3 324.428 3.438 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000576350837 341841950 /nfs/dbraw/zinc/84/19/50/341841950.db2.gz OSYSOWZXFXWGNN-OXQOHEQNSA-N 0 3 320.436 3.350 20 30 DGEDHN C=CCCCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000577823767 341940194 /nfs/dbraw/zinc/94/01/94/341940194.db2.gz MDBSCRNGIWBGSO-OAHLLOKOSA-N 0 3 314.351 3.352 20 30 DGEDHN Cc1cc(Cl)ccc1CN1CCN(CCCCC#N)CC1 ZINC000352562749 533780399 /nfs/dbraw/zinc/78/03/99/533780399.db2.gz MERJLTFIGQWKNR-UHFFFAOYSA-N 0 3 305.853 3.460 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)NCCCCC#N)c1ccccc1 ZINC000172263279 533784836 /nfs/dbraw/zinc/78/48/36/533784836.db2.gz KFTTVGKIJCYBQR-HNNXBMFYSA-N 0 3 316.449 3.109 20 30 DGEDHN C[C@@H](COCC(F)(F)F)NC1CC(C#N)(c2ccccc2)C1 ZINC000364740794 534155106 /nfs/dbraw/zinc/15/51/06/534155106.db2.gz SDVYRHPIUAJUOF-GRTSSRMGSA-N 0 3 312.335 3.167 20 30 DGEDHN C[C@@H](Cc1ccc(O)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378808 534236413 /nfs/dbraw/zinc/23/64/13/534236413.db2.gz WAKREHRNVBJZQL-MAUKXSAKSA-N 0 3 322.408 3.212 20 30 DGEDHN Cc1noc([C@@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000332075235 534460568 /nfs/dbraw/zinc/46/05/68/534460568.db2.gz FKTIMTNYDAIYJD-OAHLLOKOSA-N 0 3 310.401 3.169 20 30 DGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000489451236 534559881 /nfs/dbraw/zinc/55/98/81/534559881.db2.gz SISAOJBXRHAVHB-QGZVFWFLSA-N 0 3 300.402 3.258 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCc2ccncc2)cc1 ZINC000449546850 534573752 /nfs/dbraw/zinc/57/37/52/534573752.db2.gz FAAQTXUXKJXRPJ-UXHICEINSA-N 0 3 324.424 3.484 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cncc(OCc2ccccc2)c1 ZINC000451681714 534575341 /nfs/dbraw/zinc/57/53/41/534575341.db2.gz NCDFTTZAQSPITC-UXHICEINSA-N 0 3 324.424 3.484 20 30 DGEDHN C=CCC1(CNC(=O)N(C)C[C@H]2CCCN(C)C2)CCCC1 ZINC000459055675 534597901 /nfs/dbraw/zinc/59/79/01/534597901.db2.gz VAPYZSHSGSVFIF-INIZCTEOSA-N 0 3 307.482 3.106 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458292729 534614906 /nfs/dbraw/zinc/61/49/06/534614906.db2.gz OGJSSBLPOFXQSS-KRWDZBQOSA-N 0 3 308.397 3.307 20 30 DGEDHN N#CCCOCCNC1(c2cccc(Br)c2)CCC1 ZINC000339031145 534650986 /nfs/dbraw/zinc/65/09/86/534650986.db2.gz CRTZMZBBKRPBHQ-UHFFFAOYSA-N 0 3 323.234 3.348 20 30 DGEDHN C=CCCCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472169825 534683926 /nfs/dbraw/zinc/68/39/26/534683926.db2.gz JMTIGTSNBWLOES-SFHVURJKSA-N 0 3 315.461 3.164 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472946929 534685681 /nfs/dbraw/zinc/68/56/81/534685681.db2.gz BFQJNJFWEWWBRI-AEFFLSMTSA-N 0 3 315.461 3.477 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000494176610 534690130 /nfs/dbraw/zinc/69/01/30/534690130.db2.gz QNVABGVMNHFRFX-ROUUACIJSA-N 0 3 313.445 3.011 20 30 DGEDHN Cc1ncc(CN(C)C(=O)C(C#N)CCc2ccccc2)s1 ZINC000339266497 534732035 /nfs/dbraw/zinc/73/20/35/534732035.db2.gz WIMJMLGNKGTUMG-HNNXBMFYSA-N 0 3 313.426 3.183 20 30 DGEDHN Cc1ncc(CNC2CCN(c3ccc(C#N)cc3)CC2)s1 ZINC000299329594 534739621 /nfs/dbraw/zinc/73/96/21/534739621.db2.gz BOHXYVHNZIVXKE-UHFFFAOYSA-N 0 3 312.442 3.082 20 30 DGEDHN N#CC(C(=O)c1ccccc1CCC(F)(F)F)c1ccncn1 ZINC000354473618 534741469 /nfs/dbraw/zinc/74/14/69/534741469.db2.gz VUTHJVDTJSYVFZ-ZDUSSCGKSA-N 0 3 319.286 3.462 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)C=Nn1cnc2ccccc21 ZINC000495784418 534867591 /nfs/dbraw/zinc/86/75/91/534867591.db2.gz FYCJZXNIVUBBLY-UHFFFAOYSA-N 0 3 302.378 3.174 20 30 DGEDHN C=CCN(CCC(=O)N1CCC[C@H]1C)CCc1ccccc1 ZINC000441272308 526271885 /nfs/dbraw/zinc/27/18/85/526271885.db2.gz ULTODLXVQPPZGZ-QGZVFWFLSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000357533694 526274085 /nfs/dbraw/zinc/27/40/85/526274085.db2.gz XRHWRIGZCQTDQY-UHFFFAOYSA-N 0 3 303.793 3.191 20 30 DGEDHN C=CCN(C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000357528332 526330298 /nfs/dbraw/zinc/33/02/98/526330298.db2.gz LCUPBTFWCPFKQK-MJGOQNOKSA-N 0 3 301.430 3.092 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130116349 526355398 /nfs/dbraw/zinc/35/53/98/526355398.db2.gz YUROTDKCDGUNNY-NVXWUHKLSA-N 0 3 313.445 3.009 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000358795669 526437283 /nfs/dbraw/zinc/43/72/83/526437283.db2.gz LDWYYTGNWDFSNJ-MRXNPFEDSA-N 0 3 319.474 3.149 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000171717489 526444588 /nfs/dbraw/zinc/44/45/88/526444588.db2.gz AGABCFHWFAWRTM-IRXDYDNUSA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(SCC)cc2)CC1 ZINC000350767546 526448517 /nfs/dbraw/zinc/44/85/17/526448517.db2.gz MDJWVADMYBQJRN-UHFFFAOYSA-N 0 3 304.459 3.179 20 30 DGEDHN C=CCN1CCC(NC(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000171720448 526449688 /nfs/dbraw/zinc/44/96/88/526449688.db2.gz GHZJCMPXEOBPKK-CYBMUJFWSA-N 0 3 318.486 3.253 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000180866383 526486739 /nfs/dbraw/zinc/48/67/39/526486739.db2.gz PLDZCGRLMANJCC-HNNXBMFYSA-N 0 3 321.490 3.178 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000360672967 526491182 /nfs/dbraw/zinc/49/11/82/526491182.db2.gz PUGXRWJCIPTYCF-SJLPKXTDSA-N 0 3 315.461 3.115 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@H](c3ccc(F)cc3)CC2)C1=O ZINC000337176732 526508959 /nfs/dbraw/zinc/50/89/59/526508959.db2.gz JCSUSNQDZBRQQF-YJBOKZPZSA-N 0 3 316.420 3.182 20 30 DGEDHN C=C(C)CN(CC)CCOc1ccc(C(=O)OC)cc1Cl ZINC000441190326 526547601 /nfs/dbraw/zinc/54/76/01/526547601.db2.gz RQVSYFBHHLUULC-UHFFFAOYSA-N 0 3 311.809 3.403 20 30 DGEDHN C=C(C)CN(CCCc1ccc(C)nc1)Cc1ccc(CO)o1 ZINC000348637179 526551424 /nfs/dbraw/zinc/55/14/24/526551424.db2.gz SRQRIRFJGAIBRL-UHFFFAOYSA-N 0 3 314.429 3.486 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2SC)CC1 ZINC000347515865 526584150 /nfs/dbraw/zinc/58/41/50/526584150.db2.gz KEGZETYMXXZYQT-UHFFFAOYSA-N 0 3 318.486 3.108 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C(C)(C)C)CC1 ZINC000431919751 526588329 /nfs/dbraw/zinc/58/83/29/526588329.db2.gz QZZIIEMRGLVFDX-UHFFFAOYSA-N 0 3 309.498 3.398 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc(Cl)cc2C)CC1 ZINC000132699724 526595961 /nfs/dbraw/zinc/59/59/61/526595961.db2.gz GLQXFXWHQUMWIG-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN C=C(C)COc1cc(CN2CCC(C)(CO)CC2)ccc1OC ZINC000184068097 526659067 /nfs/dbraw/zinc/65/90/67/526659067.db2.gz XRALUPAVRLQCKU-UHFFFAOYSA-N 0 3 319.445 3.245 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000180692029 526666868 /nfs/dbraw/zinc/66/68/68/526666868.db2.gz YYDHBOCGWMWRGC-UHFFFAOYSA-N 0 3 319.449 3.445 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000185793289 526667485 /nfs/dbraw/zinc/66/74/85/526667485.db2.gz QTRWWSZCEFBUGW-AEFFLSMTSA-N 0 3 312.457 3.205 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192338372 526677245 /nfs/dbraw/zinc/67/72/45/526677245.db2.gz QFYNSUUSHJBKGC-PKOBYXMFSA-N 0 3 312.457 3.301 20 30 DGEDHN N#Cc1cccc(CNC[C@H]2COC3(CCCCCC3)O2)c1 ZINC000181095598 526708878 /nfs/dbraw/zinc/70/88/78/526708878.db2.gz CNKIQVCTVQOWQB-KRWDZBQOSA-N 0 3 300.402 3.114 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000359119356 526725736 /nfs/dbraw/zinc/72/57/36/526725736.db2.gz XPJZFMWGASICNM-HUUCEWRRSA-N 0 3 317.481 3.041 20 30 DGEDHN C#CCCN1CCN(CCCc2cccc3ccccc32)CC1 ZINC000127443743 526727516 /nfs/dbraw/zinc/72/75/16/526727516.db2.gz CLUYJJLBPHLQSU-UHFFFAOYSA-N 0 3 306.453 3.413 20 30 DGEDHN C=CCOCCCC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357884062 526740767 /nfs/dbraw/zinc/74/07/67/526740767.db2.gz YTSBWBYYBROCHZ-QFBILLFUSA-N 0 3 318.461 3.085 20 30 DGEDHN C=C(C)[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000291578822 526753486 /nfs/dbraw/zinc/75/34/86/526753486.db2.gz BZWHAWOMHULGMQ-GOSISDBHSA-N 0 3 322.399 3.430 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc(C(F)(F)F)s1 ZINC000435747035 526782796 /nfs/dbraw/zinc/78/27/96/526782796.db2.gz CYVBSPQGMZCOCQ-KOLCDFICSA-N 0 3 306.353 3.233 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000343066685 526846765 /nfs/dbraw/zinc/84/67/65/526846765.db2.gz HTAWEAIPVIJQTF-HOTGVXAUSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000351483411 526851570 /nfs/dbraw/zinc/85/15/70/526851570.db2.gz OJAQOBYDEFICHE-HZPDHXFCSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCOc1ccc(CN(C)CCc2ccncc2)cc1OC ZINC000183754901 526862011 /nfs/dbraw/zinc/86/20/11/526862011.db2.gz HQPXGBPWCBWDNJ-UHFFFAOYSA-N 0 3 312.413 3.330 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc3c(c2)ncn3C)cc1 ZINC000352912391 526886807 /nfs/dbraw/zinc/88/68/07/526886807.db2.gz CKQAIIKINAFGKP-UHFFFAOYSA-N 0 3 307.397 3.428 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000343394723 526904179 /nfs/dbraw/zinc/90/41/79/526904179.db2.gz GVHZXHAIPHGNPZ-RTBURBONSA-N 0 3 310.397 3.266 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000338049501 526917343 /nfs/dbraw/zinc/91/73/43/526917343.db2.gz GDGCXPNXDCIVFQ-KFWWJZLASA-N 0 3 302.418 3.451 20 30 DGEDHN C=CC1CCN(CC(=O)N(CC)Cc2cccc(F)c2)CC1 ZINC000348184654 526979386 /nfs/dbraw/zinc/97/93/86/526979386.db2.gz KWHFEEZOOBLPIS-UHFFFAOYSA-N 0 3 304.409 3.072 20 30 DGEDHN C=CC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435130614 526980954 /nfs/dbraw/zinc/98/09/54/526980954.db2.gz TUZUOXOPXNZMRW-UHFFFAOYSA-N 0 3 321.428 3.257 20 30 DGEDHN C=CC1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000360285230 526982003 /nfs/dbraw/zinc/98/20/03/526982003.db2.gz JBFUCXAFWUFCRD-QGZVFWFLSA-N 0 3 302.393 3.219 20 30 DGEDHN C=CCSCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000298427506 527003684 /nfs/dbraw/zinc/00/36/84/527003684.db2.gz MUIVOKKDDZZNIK-UHFFFAOYSA-N 0 3 301.839 3.453 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000342661737 527025356 /nfs/dbraw/zinc/02/53/56/527025356.db2.gz XVHWCQYPXJCANC-AEFFLSMTSA-N 0 3 315.461 3.396 20 30 DGEDHN C#CCOc1ccccc1CNCc1cccc(OCC)c1O ZINC000265134944 527127873 /nfs/dbraw/zinc/12/78/73/527127873.db2.gz HXVYKLWHDAKRNP-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000342080803 527130667 /nfs/dbraw/zinc/13/06/67/527130667.db2.gz BLQSRSUJNUYRGV-MAUKXSAKSA-N 0 3 315.461 3.087 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351636551 527160801 /nfs/dbraw/zinc/16/08/01/527160801.db2.gz ARCPZUUEONSQLH-SFHVURJKSA-N 0 3 315.461 3.307 20 30 DGEDHN C=CCCCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000076937196 527183162 /nfs/dbraw/zinc/18/31/62/527183162.db2.gz GHNQFTAKFWLLBL-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCCCN1CCN(CCCC=C)[C@@H](c2cnn(C)c2)C1 ZINC000344162337 527199677 /nfs/dbraw/zinc/19/96/77/527199677.db2.gz KHMPCDVWBOMGAO-GOSISDBHSA-N 0 3 302.466 3.011 20 30 DGEDHN C=CCc1cc(CN2C[C@H](C)N(CC)C[C@H]2C)cc(OC)c1O ZINC000353801450 527239740 /nfs/dbraw/zinc/23/97/40/527239740.db2.gz FQQCNJCIKKOSDU-LSDHHAIUSA-N 0 3 318.461 3.044 20 30 DGEDHN C=CCCN(C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000342726590 527319010 /nfs/dbraw/zinc/31/90/10/527319010.db2.gz GRFQDBUJGWXKMA-UHFFFAOYSA-N 0 3 306.425 3.461 20 30 DGEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000342736679 527319136 /nfs/dbraw/zinc/31/91/36/527319136.db2.gz KGKXOPCJHRCECW-UHFFFAOYSA-N 0 3 315.244 3.460 20 30 DGEDHN C=CCCN(C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000342725844 527319170 /nfs/dbraw/zinc/31/91/70/527319170.db2.gz RVWDPFUYTXJNOT-UHFFFAOYSA-N 0 3 323.440 3.292 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000342855179 527330611 /nfs/dbraw/zinc/33/06/11/527330611.db2.gz VCGKPHLEZZDXBJ-GOSISDBHSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000435762681 527441632 /nfs/dbraw/zinc/44/16/32/527441632.db2.gz OWZWLFQQGZJTQJ-ZWKOTPCHSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N(C)c1nccs1)c1ccccc1 ZINC000180046238 527446432 /nfs/dbraw/zinc/44/64/32/527446432.db2.gz VUSQTYWNWJZQQT-OAHLLOKOSA-N 0 3 315.442 3.403 20 30 DGEDHN C=CCC[C@@H](NCc1cc(S(C)(=O)=O)ccc1F)C1CC1 ZINC000337397182 527448734 /nfs/dbraw/zinc/44/87/34/527448734.db2.gz JHKASNGLAUMCIG-MRXNPFEDSA-N 0 3 311.422 3.064 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000129033979 527453780 /nfs/dbraw/zinc/45/37/80/527453780.db2.gz DLKOXSACPVICAA-MSOLQXFVSA-N 0 3 319.445 3.003 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000342121355 527457533 /nfs/dbraw/zinc/45/75/33/527457533.db2.gz DRCKVWZPQVTRIX-WOJBJXKFSA-N 0 3 314.473 3.318 20 30 DGEDHN CC(C)(C#N)CCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000336863121 527460634 /nfs/dbraw/zinc/46/06/34/527460634.db2.gz MWLLOWBTMZUDGY-UHFFFAOYSA-N 0 3 301.434 3.234 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000159125537 527478440 /nfs/dbraw/zinc/47/84/40/527478440.db2.gz ZBKNKXKUUBTZPX-SJORKVTESA-N 0 3 301.434 3.087 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000135561635 527498623 /nfs/dbraw/zinc/49/86/23/527498623.db2.gz DIPSHPJUDIKLDV-DLBZAZTESA-N 0 3 316.470 3.194 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000337601436 527510322 /nfs/dbraw/zinc/51/03/22/527510322.db2.gz NFNCNEGLCHXZAZ-HOCLYGCPSA-N 0 3 301.434 3.409 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000134903052 527522108 /nfs/dbraw/zinc/52/21/08/527522108.db2.gz GUGAEJRKNSHUCJ-IBGZPJMESA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccco2)n1 ZINC000429713771 527572914 /nfs/dbraw/zinc/57/29/14/527572914.db2.gz FATTXQMXDHZHBX-UHFFFAOYSA-N 0 3 305.447 3.343 20 30 DGEDHN CC(C)[C@H](O)C1(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000345714632 527716043 /nfs/dbraw/zinc/71/60/43/527716043.db2.gz YIKLEJWMBCFZPJ-SFHVURJKSA-N 0 3 316.445 3.256 20 30 DGEDHN CCN1C[C@@H](C)N(Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000353812300 527931526 /nfs/dbraw/zinc/93/15/26/527931526.db2.gz XRZCTJARVPIUGX-IAGOWNOFSA-N 0 3 315.461 3.284 20 30 DGEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176544106 527941150 /nfs/dbraw/zinc/94/11/50/527941150.db2.gz RZWQHNKVCFFLOD-UHFFFAOYSA-N 0 3 322.840 3.263 20 30 DGEDHN CCCN(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000348866493 527961337 /nfs/dbraw/zinc/96/13/37/527961337.db2.gz KJGUSPYFMXEMIF-UHFFFAOYSA-N 0 3 301.434 3.282 20 30 DGEDHN CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)s1 ZINC000330926854 528013183 /nfs/dbraw/zinc/01/31/83/528013183.db2.gz XMTJNSAMMOSZPX-QJPTWQEYSA-N 0 3 311.451 3.028 20 30 DGEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)Cc2ccccc2C1 ZINC000433372645 528028072 /nfs/dbraw/zinc/02/80/72/528028072.db2.gz PHRSPNHNZMMXAQ-LJQANCHMSA-N 0 3 318.420 3.433 20 30 DGEDHN CCCCCCCCOCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000361700261 528130731 /nfs/dbraw/zinc/13/07/31/528130731.db2.gz KAIJQPADALQQJI-UHFFFAOYSA-N 0 3 319.449 3.043 20 30 DGEDHN CCN(CCCCC(C)(C)C#N)CC(=O)N1CCCCCC1 ZINC000353167645 528430829 /nfs/dbraw/zinc/43/08/29/528430829.db2.gz MNZRQFNBVAFLKD-UHFFFAOYSA-N 0 3 307.482 3.431 20 30 DGEDHN CCN(CCc1cccs1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343568795 528599052 /nfs/dbraw/zinc/59/90/52/528599052.db2.gz PKBYAHDGBHGOKY-RHSMWYFYSA-N 0 3 321.490 3.055 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1CCC(C)C ZINC000351668630 528621633 /nfs/dbraw/zinc/62/16/33/528621633.db2.gz BTRXZDHSKAHIDM-IRXDYDNUSA-N 0 3 307.482 3.285 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000444755777 528669594 /nfs/dbraw/zinc/66/95/94/528669594.db2.gz YSLSFHJDBOJQCA-AEFFLSMTSA-N 0 3 311.429 3.032 20 30 DGEDHN CCCCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347044317 528689486 /nfs/dbraw/zinc/68/94/86/528689486.db2.gz XRZXQPWYTLTBSF-STQMWFEESA-N 0 3 304.390 3.211 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000130427710 528691039 /nfs/dbraw/zinc/69/10/39/528691039.db2.gz FHUGDXBYZDWCRF-MRXNPFEDSA-N 0 3 315.461 3.295 20 30 DGEDHN CCCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424113754 528845309 /nfs/dbraw/zinc/84/53/09/528845309.db2.gz OIPCUZHPAFSRJC-IAGOWNOFSA-N 0 3 317.433 3.064 20 30 DGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180680686 528898592 /nfs/dbraw/zinc/89/85/92/528898592.db2.gz DZGCQYQXVQKWAW-UHFFFAOYSA-N 0 3 316.449 3.292 20 30 DGEDHN CC1(C)CCCN(CCNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000443974022 528937471 /nfs/dbraw/zinc/93/74/71/528937471.db2.gz RVKUMNWVNBECJA-UHFFFAOYSA-N 0 3 302.378 3.000 20 30 DGEDHN CC(C)N(Cc1ccc(Br)cc1)C(=O)C(C)C#N ZINC000344284375 528938350 /nfs/dbraw/zinc/93/83/50/528938350.db2.gz ZXHSTULCBUBNJS-NSHDSACASA-N 0 3 309.207 3.346 20 30 DGEDHN CCN1CCC[C@@H](NC(=O)c2cnn(CCC(C)C)c2C)C1 ZINC000331274932 529046812 /nfs/dbraw/zinc/04/68/12/529046812.db2.gz PUEWUJGICUMNOS-OAHLLOKOSA-N 0 3 306.454 3.027 20 30 DGEDHN CCN1CCC[C@H](NC(=O)c2cnn(CCC(C)C)c2C)C1 ZINC000331274931 529083111 /nfs/dbraw/zinc/08/31/11/529083111.db2.gz PUEWUJGICUMNOS-HNNXBMFYSA-N 0 3 306.454 3.027 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000182597920 529204178 /nfs/dbraw/zinc/20/41/78/529204178.db2.gz ZHFIIOCDAHXYQR-IUODEOHRSA-N 0 3 307.825 3.141 20 30 DGEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000444677420 529209893 /nfs/dbraw/zinc/20/98/93/529209893.db2.gz PQOGCWRIUMCEQW-ZWKOTPCHSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1cccc(C#N)c1C ZINC000178544472 529273585 /nfs/dbraw/zinc/27/35/85/529273585.db2.gz ZFIWJUKBDKRYSI-MRXNPFEDSA-N 0 3 314.433 3.253 20 30 DGEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)s2)C1 ZINC000487283396 535819792 /nfs/dbraw/zinc/81/97/92/535819792.db2.gz QKWOMQXEGYXAPV-CYBMUJFWSA-N 0 3 319.474 3.250 20 30 DGEDHN COc1cc(CN2CCC[C@]3(CCSC3)C2)ccc1C#N ZINC000449733525 536758371 /nfs/dbraw/zinc/75/83/71/536758371.db2.gz OYOACMXSACZEJF-KRWDZBQOSA-N 0 3 302.443 3.286 20 30 DGEDHN COc1ccc2oc([C@H](C)NCCOCCC#N)c(C)c2c1 ZINC000294736063 546424047 /nfs/dbraw/zinc/42/40/47/546424047.db2.gz WPCIQZLVCRMHJI-ZDUSSCGKSA-N 0 3 302.374 3.331 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000302934824 546439422 /nfs/dbraw/zinc/43/94/22/546439422.db2.gz HIIRFOKVRBYWIJ-QGZVFWFLSA-N 0 3 314.473 3.330 20 30 DGEDHN C[C@@H](CNC(=O)c1cn(C)nc1C1CCCCC1)N(C)C1CC1 ZINC000328842492 546482133 /nfs/dbraw/zinc/48/21/33/546482133.db2.gz QBZNXSNPSMNBCO-ZDUSSCGKSA-N 0 3 318.465 3.255 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1sccc1Br ZINC000381199241 546739605 /nfs/dbraw/zinc/73/96/05/546739605.db2.gz BVDOUOUSSVASEH-NXEZZACHSA-N 0 3 304.253 3.346 20 30 DGEDHN CC[C@H]1CCc2nc(NC(=O)[C@H](N)CCCCC#N)sc2C1 ZINC000594426051 547031948 /nfs/dbraw/zinc/03/19/48/547031948.db2.gz CIXHNGHBSAZTHJ-NWDGAFQWSA-N 0 3 320.462 3.008 20 30 DGEDHN C=CC[C@H]1CCCN(C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000668492792 547467779 /nfs/dbraw/zinc/46/77/79/547467779.db2.gz GGUVKAGSEBOXRE-HOTGVXAUSA-N 0 3 321.486 3.482 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)ccc1OC ZINC000668594855 547488828 /nfs/dbraw/zinc/48/88/28/547488828.db2.gz HWVXEHKXPYMGAY-VQIMIIECSA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC000668706057 547514458 /nfs/dbraw/zinc/51/44/58/547514458.db2.gz PMWAGRJUMXINIJ-GJZGRUSLSA-N 0 3 307.821 3.373 20 30 DGEDHN C=CCOc1ccc(CN(C)CC2=CCSC2)cc1OC ZINC000668775801 547537976 /nfs/dbraw/zinc/53/79/76/547537976.db2.gz QBWMOVFOVQLOMA-UHFFFAOYSA-N 0 3 305.443 3.365 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc(C)c1)C(C)C ZINC000671722410 547816745 /nfs/dbraw/zinc/81/67/45/547816745.db2.gz HUNWAFZJXJQCLI-MRXNPFEDSA-N 0 3 306.475 3.485 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1cc(C(C)=O)ccn1)C(C)C ZINC000674748907 548106961 /nfs/dbraw/zinc/10/69/61/548106961.db2.gz ZBEMLKSPDOJDEC-QGZVFWFLSA-N 0 3 301.434 3.395 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C2CC2)C2CCCCC2)CC1 ZINC000675980990 548301487 /nfs/dbraw/zinc/30/14/87/548301487.db2.gz GCTFQKXBXUFDMK-UHFFFAOYSA-N 0 3 305.466 3.144 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000676421150 548362050 /nfs/dbraw/zinc/36/20/50/548362050.db2.gz YZFFROZKINOEQI-SJORKVTESA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCOc1ccc(CN2CCC(NC(=O)CCC)CC2)cc1 ZINC000678183276 548634032 /nfs/dbraw/zinc/63/40/32/548634032.db2.gz TULBZWUTLVNKMO-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678782710 548763168 /nfs/dbraw/zinc/76/31/68/548763168.db2.gz MQWOJDOTIOSQEX-CABCVRRESA-N 0 3 317.351 3.310 20 30 DGEDHN C=CCOc1ccccc1CN1CCC([C@@H]2CCOC2)CC1 ZINC000680333183 549030832 /nfs/dbraw/zinc/03/08/32/549030832.db2.gz KDHAOFRVDGNNJH-GOSISDBHSA-N 0 3 301.430 3.500 20 30 DGEDHN CC#CCCN1CCC(c2c(OC)cc(OC)cc2OC)CC1 ZINC000680883013 549120807 /nfs/dbraw/zinc/12/08/07/549120807.db2.gz RRSWRAFDUZKCNY-UHFFFAOYSA-N 0 3 317.429 3.305 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccccc1Cl ZINC000680995262 549142319 /nfs/dbraw/zinc/14/23/19/549142319.db2.gz VABQQLTXMKXCNZ-DNVCBOLYSA-N 0 3 313.828 3.446 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000681710147 549245963 /nfs/dbraw/zinc/24/59/63/549245963.db2.gz PXNPETQVDUHJLQ-LJQANCHMSA-N 0 3 321.424 3.090 20 30 DGEDHN C=CCOCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000681742883 549248425 /nfs/dbraw/zinc/24/84/25/549248425.db2.gz SZZFPGWCEQVUCS-CYBMUJFWSA-N 0 3 300.324 3.270 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncccc1C(F)(F)F ZINC000684767200 549690275 /nfs/dbraw/zinc/69/02/75/549690275.db2.gz CWQANFXVSWWDBR-RISCZKNCSA-N 0 3 300.324 3.171 20 30 DGEDHN C=CC[C@@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000734988464 574685113 /nfs/dbraw/zinc/68/51/13/574685113.db2.gz YZYMSRGNSHUZJU-OAHLLOKOSA-N 0 3 317.502 3.080 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc(-n3cccn3)c2)cc1 ZINC000735321326 574697966 /nfs/dbraw/zinc/69/79/66/574697966.db2.gz OCEIXXYXJCUNAJ-UHFFFAOYSA-N 0 3 317.392 3.174 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC1CCCCC1 ZINC000735426894 574701811 /nfs/dbraw/zinc/70/18/11/574701811.db2.gz ZHZMARVDUVADMO-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1-c1nnn[n-]1)CC1CCCCC1 ZINC000735426894 574701812 /nfs/dbraw/zinc/70/18/12/574701812.db2.gz ZHZMARVDUVADMO-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC1CCCCC1 ZINC000735426894 574701814 /nfs/dbraw/zinc/70/18/14/574701814.db2.gz ZHZMARVDUVADMO-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1-c1nn[n-]n1)CC1CCCCC1 ZINC000735426894 574701816 /nfs/dbraw/zinc/70/18/16/574701816.db2.gz ZHZMARVDUVADMO-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc2occc2s1 ZINC000737316082 574837722 /nfs/dbraw/zinc/83/77/22/574837722.db2.gz DNQJTBQOPSICGL-NSHDSACASA-N 0 3 310.334 3.455 20 30 DGEDHN C#CCSCCNCc1cc(Cl)cc(Cl)c1OC ZINC000740015289 574918777 /nfs/dbraw/zinc/91/87/77/574918777.db2.gz XSGPFRYZNNLOAM-UHFFFAOYSA-N 0 3 304.242 3.458 20 30 DGEDHN C#CCCN1CCC(NC(=O)CCCC2CCCCC2)CC1 ZINC000740737201 574940748 /nfs/dbraw/zinc/94/07/48/574940748.db2.gz DWGHRVRNNKBJJM-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C[C@@H]1C[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000740881636 574945034 /nfs/dbraw/zinc/94/50/34/574945034.db2.gz CESVNYFTEDEVQW-FRRDWIJNSA-N 0 3 313.426 3.203 20 30 DGEDHN Cc1ccc(C)c(NC(=S)NN=C2CCN(C)[C@@H](C)C2)c1 ZINC000741452807 574958122 /nfs/dbraw/zinc/95/81/22/574958122.db2.gz GIRURJWJDCYQJL-ZDUSSCGKSA-N 0 3 304.463 3.060 20 30 DGEDHN Cc1ccc(NC(=S)NN=C2CCN(C)[C@H](C)C2)c(C)c1 ZINC000741453826 574958459 /nfs/dbraw/zinc/95/84/59/574958459.db2.gz WKBGSZRHUULSFN-CYBMUJFWSA-N 0 3 304.463 3.060 20 30 DGEDHN C#CCOc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1 ZINC000741667693 574966135 /nfs/dbraw/zinc/96/61/35/574966135.db2.gz KMIWUGPUUMNNKI-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN CC#CCN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000741777815 574970096 /nfs/dbraw/zinc/97/00/96/574970096.db2.gz LHRBJNICPRBOSE-CVEARBPZSA-N 0 3 306.450 3.264 20 30 DGEDHN CC(C)CN(CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741793727 574971550 /nfs/dbraw/zinc/97/15/50/574971550.db2.gz BSTGQUSPGQXFEJ-OAHLLOKOSA-N 0 3 309.454 3.115 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1)[C@H](O)c1c(F)cccc1F ZINC000742716395 575014640 /nfs/dbraw/zinc/01/46/40/575014640.db2.gz YJZVWGLADSKLBX-WMZOPIPTSA-N 0 3 316.351 3.438 20 30 DGEDHN C#CCN(CCc1ccc2c(c1)CCO2)Cc1ccc(F)cc1 ZINC000743842046 575064679 /nfs/dbraw/zinc/06/46/79/575064679.db2.gz ABWIVVPTQZGEOL-UHFFFAOYSA-N 0 3 309.384 3.439 20 30 DGEDHN C=CCN(CCOc1ccc(C(=O)OC)cc1Cl)C(C)C ZINC000743841116 575064805 /nfs/dbraw/zinc/06/48/05/575064805.db2.gz FGQLYNSYCNOVRQ-UHFFFAOYSA-N 0 3 311.809 3.402 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000743870235 575067094 /nfs/dbraw/zinc/06/70/94/575067094.db2.gz MPILKPMOEQFURN-INIZCTEOSA-N 0 3 316.445 3.193 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000743870235 575067096 /nfs/dbraw/zinc/06/70/96/575067096.db2.gz MPILKPMOEQFURN-INIZCTEOSA-N 0 3 316.445 3.193 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC3CCOCC3)nc21 ZINC000744160674 575075398 /nfs/dbraw/zinc/07/53/98/575075398.db2.gz OMEUGEDXGNYZDC-CQSZACIVSA-N 0 3 311.385 3.254 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC3CCOCC3)[nH]c21 ZINC000744160674 575075399 /nfs/dbraw/zinc/07/53/99/575075399.db2.gz OMEUGEDXGNYZDC-CQSZACIVSA-N 0 3 311.385 3.254 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000740900052 575231945 /nfs/dbraw/zinc/23/19/45/575231945.db2.gz KCDRIGPCZYWCBL-CJNGLKHVSA-N 0 3 316.426 3.252 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccc(C)cc2C)CC1 ZINC000729942996 575267660 /nfs/dbraw/zinc/26/76/60/575267660.db2.gz WMINLZNGRMPMFL-UHFFFAOYSA-N 0 3 303.475 3.240 20 30 DGEDHN CC(=NN=C1CCN(Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000745202077 575384308 /nfs/dbraw/zinc/38/43/08/575384308.db2.gz QUGZLWXYZDCPSB-OAHLLOKOSA-N 0 3 321.428 3.184 20 30 DGEDHN C=CCCCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000745431596 575396031 /nfs/dbraw/zinc/39/60/31/575396031.db2.gz VHMINSNNTGSZFT-AWEZNQCLSA-N 0 3 307.777 3.202 20 30 DGEDHN c1ccc(CCN2CCC(=NOCc3cccnc3)CC2)cc1 ZINC000746587788 575463354 /nfs/dbraw/zinc/46/33/54/575463354.db2.gz FPGPCIPIEIBMJY-UHFFFAOYSA-N 0 3 309.413 3.293 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000746733299 575472805 /nfs/dbraw/zinc/47/28/05/575472805.db2.gz CQLCSTSFRLYNEG-UHFFFAOYSA-N 0 3 320.392 3.259 20 30 DGEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000747100906 575496607 /nfs/dbraw/zinc/49/66/07/575496607.db2.gz XZLZZZWUAJKHGQ-QFBILLFUSA-N 0 3 324.424 3.325 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)C[C@@H]2C)cc1C ZINC000747531205 575523427 /nfs/dbraw/zinc/52/34/27/575523427.db2.gz SOZLTPNRNRKAHD-PBHICJAKSA-N 0 3 313.445 3.280 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOCc2ccccc2Cl)cc1 ZINC000747838760 575545361 /nfs/dbraw/zinc/54/53/61/575545361.db2.gz JQIACLLVHDSCKH-UHFFFAOYSA-N 0 3 317.820 3.239 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOCc2ccc(Cl)cc2)cc1 ZINC000747838895 575545532 /nfs/dbraw/zinc/54/55/32/575545532.db2.gz QRTDKXPNXYJNIC-UHFFFAOYSA-N 0 3 317.820 3.239 20 30 DGEDHN CC[C@H](NCc1cc(C#N)cs1)[C@@H](O)c1c(F)cccc1F ZINC000748099522 575561081 /nfs/dbraw/zinc/56/10/81/575561081.db2.gz VCVJNUBZNSTWSU-GOEBONIOSA-N 0 3 322.380 3.500 20 30 DGEDHN COC(=O)/C(C)=C/CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000748817608 575609749 /nfs/dbraw/zinc/60/97/49/575609749.db2.gz ZBLXPUVDNQYRGT-OQLLNIDSSA-N 0 3 300.402 3.136 20 30 DGEDHN C=C(Br)CN1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000749241727 575638231 /nfs/dbraw/zinc/63/82/31/575638231.db2.gz OQONRDNQIHXIOK-MJBXVCDLSA-N 0 3 301.272 3.232 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)[C@H](CO)C(C)(C)C ZINC000749466178 575658964 /nfs/dbraw/zinc/65/89/64/575658964.db2.gz MXHZRXSJRUVBQZ-OAHLLOKOSA-N 0 3 310.825 3.081 20 30 DGEDHN C=CCCCCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749955865 575692329 /nfs/dbraw/zinc/69/23/29/575692329.db2.gz TTZYNMWKMYEGGB-UHFFFAOYSA-N 0 3 317.393 3.284 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(C)C[C@@H]1CCOC1 ZINC000749964553 575693743 /nfs/dbraw/zinc/69/37/43/575693743.db2.gz PNWWAWKPTXPJBI-AWEZNQCLSA-N 0 3 317.458 3.240 20 30 DGEDHN C=C(Br)CN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000750185217 575711033 /nfs/dbraw/zinc/71/10/33/575711033.db2.gz JBSNTUOLINTELN-OAHLLOKOSA-N 0 3 309.251 3.101 20 30 DGEDHN C#Cc1cccc(NC(=S)N(C)C2CCN(CCC)CC2)c1 ZINC000726475948 576025883 /nfs/dbraw/zinc/02/58/83/576025883.db2.gz LLQKRTKOFCAABG-UHFFFAOYSA-N 0 3 315.486 3.171 20 30 DGEDHN Clc1ccc(N=NC2CCCC[C@@H]2N2CCCCC2)nn1 ZINC000748779142 576083915 /nfs/dbraw/zinc/08/39/15/576083915.db2.gz WEKILZFQBMYLEB-ZDUSSCGKSA-N 0 3 307.829 3.326 20 30 DGEDHN C(=NNC1CCCC1)c1ccc(OCCN2CCCC2)cc1 ZINC000727651635 576136345 /nfs/dbraw/zinc/13/63/45/576136345.db2.gz JHBKPUPYUZKXEF-UHFFFAOYSA-N 0 3 301.434 3.027 20 30 DGEDHN C=C(C)CNC(=S)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000727658502 576137324 /nfs/dbraw/zinc/13/73/24/576137324.db2.gz FMTTZGLQEXFJOT-KRWDZBQOSA-N 0 3 317.502 3.254 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@@H](OC)C1 ZINC000728049642 576160366 /nfs/dbraw/zinc/16/03/66/576160366.db2.gz IPTJEFJYKXQZEX-CQSZACIVSA-N 0 3 317.458 3.383 20 30 DGEDHN C=CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000728866234 576225610 /nfs/dbraw/zinc/22/56/10/576225610.db2.gz DTACKDNNKKJNRB-KRWDZBQOSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000728866239 576225631 /nfs/dbraw/zinc/22/56/31/576225631.db2.gz DTACKDNNKKJNRB-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN CC(=NN1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000916604157 620638409 /nfs/dbraw/zinc/63/84/09/620638409.db2.gz BBZGUDRYOMGSFZ-UHFFFAOYSA-N 0 3 301.434 3.123 20 30 DGEDHN C[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916622576 620639774 /nfs/dbraw/zinc/63/97/74/620639774.db2.gz AQDHOCRITMOCSB-OLZOCXBDSA-N 0 3 313.426 3.347 20 30 DGEDHN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000916844416 620647149 /nfs/dbraw/zinc/64/71/49/620647149.db2.gz HNBHESTUDYEWBZ-CXAGYDPISA-N 0 3 305.337 3.127 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852783639 620648402 /nfs/dbraw/zinc/64/84/02/620648402.db2.gz RXKVNNLQSVAQQX-HNNXBMFYSA-N 0 3 316.445 3.087 20 30 DGEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916883290 620648837 /nfs/dbraw/zinc/64/88/37/620648837.db2.gz IRBVSJFNZFKPBR-LLVKDONJSA-N 0 3 314.719 3.423 20 30 DGEDHN C[C@@H](C1CC1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917093350 620656403 /nfs/dbraw/zinc/65/64/03/620656403.db2.gz KNHHAWXWCWKLEQ-AAEUAGOBSA-N 0 3 313.426 3.203 20 30 DGEDHN Cc1cc(C)cc(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000853098983 620669010 /nfs/dbraw/zinc/66/90/10/620669010.db2.gz MYUTUATYVVNJGB-QGZVFWFLSA-N 0 3 312.413 3.004 20 30 DGEDHN CCN(CCO)c1ccc(C=NN2CCCC[C@H]2C)c(C)c1 ZINC000853378465 620690360 /nfs/dbraw/zinc/69/03/60/620690360.db2.gz DBOGBXTZQOGBEZ-MRXNPFEDSA-N 0 3 303.450 3.022 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000853747860 620732520 /nfs/dbraw/zinc/73/25/20/620732520.db2.gz AEAPXVPQGLKNAZ-NSHDSACASA-N 0 3 312.339 3.257 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCCCO1 ZINC000111943084 620771831 /nfs/dbraw/zinc/77/18/31/620771831.db2.gz PSWUTDWVCZLBCQ-UONOGXRCSA-N 0 3 311.385 3.099 20 30 DGEDHN CC[C@@H](N[C@H](C)CC(C)(C)C#N)C(=O)NCc1cccs1 ZINC000926637776 618076308 /nfs/dbraw/zinc/07/63/08/618076308.db2.gz NWTORVIAROEERO-TZMCWYRMSA-N 0 3 307.463 3.061 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000920040291 620778797 /nfs/dbraw/zinc/77/87/97/620778797.db2.gz OLGQFJWUHZLFGN-MSOLQXFVSA-N 0 3 318.505 3.300 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CC(C)(C)CO3)nc21 ZINC000892706253 618143866 /nfs/dbraw/zinc/14/38/66/618143866.db2.gz UDKKLPRJRVUMPU-QWHCGFSZSA-N 0 3 311.385 3.253 20 30 DGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000920115934 620785232 /nfs/dbraw/zinc/78/52/32/620785232.db2.gz PUKQCOQBRUXWCA-UONOGXRCSA-N 0 3 322.368 3.469 20 30 DGEDHN CC[C@H](CC#N)NCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894468788 618344176 /nfs/dbraw/zinc/34/41/76/618344176.db2.gz DANPVAIGRCQOOD-VIYLOZMYSA-N 0 3 321.465 3.446 20 30 DGEDHN C=C(CC)CNCc1ccc(Br)cc1NC(C)=O ZINC000894776022 618451822 /nfs/dbraw/zinc/45/18/22/618451822.db2.gz RCXMXGLLGOJBGA-UHFFFAOYSA-N 0 3 311.223 3.463 20 30 DGEDHN C=C1CCN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000894761669 618451894 /nfs/dbraw/zinc/45/18/94/618451894.db2.gz AOPDAOIZKCXPQO-GJZGRUSLSA-N 0 3 305.422 3.070 20 30 DGEDHN Cn1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C1CC1 ZINC000894964168 618504208 /nfs/dbraw/zinc/50/42/08/618504208.db2.gz LRGFFTSIINHZKP-GOSISDBHSA-N 0 3 306.413 3.336 20 30 DGEDHN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)CC(C)(C)C#N ZINC000925615034 618509483 /nfs/dbraw/zinc/50/94/83/618509483.db2.gz DKQMAUUQJVHIFB-LSDHHAIUSA-N 0 3 322.474 3.157 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@H](C)CC(C)(C)C#N ZINC000925711713 618544068 /nfs/dbraw/zinc/54/40/68/618544068.db2.gz VMLXSKLJCVFZNQ-MRXNPFEDSA-N 0 3 314.477 3.487 20 30 DGEDHN CN(Cc1ccccc1)C[C@H](OC(=O)CC1(C#N)CC1)C1CC1 ZINC000893697414 618641720 /nfs/dbraw/zinc/64/17/20/618641720.db2.gz PKISNPJTDWXBLW-KRWDZBQOSA-N 0 3 312.413 3.134 20 30 DGEDHN C=CC[C@H]1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC000895560324 618799020 /nfs/dbraw/zinc/79/90/20/618799020.db2.gz QZUZGOZCPYNODW-ZDUSSCGKSA-N 0 3 318.421 3.222 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC2(CCCCO2)CC1 ZINC000895655740 618812589 /nfs/dbraw/zinc/81/25/89/618812589.db2.gz KJBJIFWFLYXNQS-UHFFFAOYSA-N 0 3 313.445 3.159 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000895676007 618815035 /nfs/dbraw/zinc/81/50/35/618815035.db2.gz XVCJUSUWDQIZMV-UHFFFAOYSA-N 0 3 313.441 3.140 20 30 DGEDHN C#CCC1(O)CCN(Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000895670170 618816051 /nfs/dbraw/zinc/81/60/51/618816051.db2.gz LWWUBJOPRBEDHR-UHFFFAOYSA-N 0 3 320.845 3.300 20 30 DGEDHN COc1ccc(F)cc1CCNCc1cc(C#N)cnc1Cl ZINC000895806142 618833463 /nfs/dbraw/zinc/83/34/63/618833463.db2.gz PCMKYBQFHKRFKC-UHFFFAOYSA-N 0 3 319.767 3.087 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(Br)cc1F ZINC000883401618 618905364 /nfs/dbraw/zinc/90/53/64/618905364.db2.gz RTIPTNAYRGAJJX-LBPRGKRZSA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@H](c2ccn(C)n2)C1 ZINC000896496738 618920662 /nfs/dbraw/zinc/92/06/62/618920662.db2.gz YVXRIIDXISJYEZ-INIZCTEOSA-N 0 3 311.429 3.365 20 30 DGEDHN COc1ccc2nccc(N3CCC4(CC3)CC(=O)C=CO4)c2c1 ZINC000896885577 618975589 /nfs/dbraw/zinc/97/55/89/618975589.db2.gz GYPRANULVYDKHN-UHFFFAOYSA-N 0 3 324.380 3.086 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000897420366 619109393 /nfs/dbraw/zinc/10/93/93/619109393.db2.gz RUNZCTAEIBIZKS-BEFAXECRSA-N 0 3 306.409 3.089 20 30 DGEDHN C=C1CCC(C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000888139709 619114804 /nfs/dbraw/zinc/11/48/04/619114804.db2.gz ZUAKOUIYESHYNZ-UHFFFAOYSA-N 0 3 302.418 3.442 20 30 DGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)C1CCOCC1 ZINC000897446606 619129537 /nfs/dbraw/zinc/12/95/37/619129537.db2.gz WBEITIIMMXRMJQ-UHFFFAOYSA-N 0 3 307.825 3.149 20 30 DGEDHN N#CCCCOc1cccc(CNCc2ccc3nonc3c2)c1 ZINC000897993285 619204377 /nfs/dbraw/zinc/20/43/77/619204377.db2.gz ACJVQNQAZUCKAW-UHFFFAOYSA-N 0 3 322.368 3.195 20 30 DGEDHN C#CCOc1ccccc1CN1CC[C@@H](Cc2nccs2)C1 ZINC000898071927 619213032 /nfs/dbraw/zinc/21/30/32/619213032.db2.gz UWSBDCBUFNSQAC-HNNXBMFYSA-N 0 3 312.438 3.220 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2csc(C#N)c2)C1 ZINC000898100760 619217339 /nfs/dbraw/zinc/21/73/39/619217339.db2.gz FNYYSVCYZQXERP-AULYBMBSSA-N 0 3 321.446 3.013 20 30 DGEDHN CCCCCCC[C@H](C)[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898158502 619218969 /nfs/dbraw/zinc/21/89/69/619218969.db2.gz XQZBGHVXBFCCOF-GJZGRUSLSA-N 0 3 306.454 3.100 20 30 DGEDHN C[C@@H]1C[C@@H](NN=C2CCCC[C@@H]2N2CCCCC2)C[C@H](C)O1 ZINC000901309390 619483713 /nfs/dbraw/zinc/48/37/13/619483713.db2.gz AAYJASOALUESHS-DFGXFYAUSA-N 0 3 307.482 3.317 20 30 DGEDHN C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1cc(C#N)ccn1 ZINC000902720755 619665960 /nfs/dbraw/zinc/66/59/60/619665960.db2.gz NVROBHXWBSBEPD-RHSMWYFYSA-N 0 3 310.401 3.034 20 30 DGEDHN CCN(CCN[C@H](C)c1cc(C#N)ccn1)c1ccccc1C ZINC000902747088 619669390 /nfs/dbraw/zinc/66/93/90/619669390.db2.gz BZQMXSDXTXOJEK-MRXNPFEDSA-N 0 3 308.429 3.439 20 30 DGEDHN C[C@@H](NC[C@H](C)N1CCc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902770554 619673344 /nfs/dbraw/zinc/67/33/44/619673344.db2.gz PWTGMVVIOPUPLK-JKSUJKDBSA-N 0 3 320.440 3.051 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)NCc1ccccc1)c1cccc(C#N)c1 ZINC000902771586 619673760 /nfs/dbraw/zinc/67/37/60/619673760.db2.gz IGKUHDAMOWFAJF-KXBFYZLASA-N 0 3 321.424 3.304 20 30 DGEDHN CCN(CC)[C@H](CN[C@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902780800 619674884 /nfs/dbraw/zinc/67/48/84/619674884.db2.gz TUOFSTCRVXCXNN-RHSMWYFYSA-N 0 3 312.417 3.280 20 30 DGEDHN CC(C)c1nc(CCN[C@H](C)c2cc(C#N)ccn2)cs1 ZINC000902786592 619676403 /nfs/dbraw/zinc/67/64/03/619676403.db2.gz QAVVNZLDODHDGT-GFCCVEGCSA-N 0 3 300.431 3.426 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902810092 619680602 /nfs/dbraw/zinc/68/06/02/619680602.db2.gz PSTKERHWKFLOPC-WMLDXEAASA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902889352 619689028 /nfs/dbraw/zinc/68/90/28/619689028.db2.gz IDUUBNMJTXZODQ-GDBMZVCRSA-N 0 3 324.403 3.412 20 30 DGEDHN C=CCC[C@H](NCc1ncccc1OC)[C@@]1(C)CCCCO1 ZINC000903013812 619704393 /nfs/dbraw/zinc/70/43/93/619704393.db2.gz JGKBMNQGGPRHEU-ZWKOTPCHSA-N 0 3 304.434 3.474 20 30 DGEDHN C[C@@H](NC[C@]1(C)OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000903087776 619713844 /nfs/dbraw/zinc/71/38/44/619713844.db2.gz ISMJZHBGDOSAFQ-KUHUBIRLSA-N 0 3 307.397 3.092 20 30 DGEDHN CC(=O)OCc1cccc([C@@H](C)NCc2ccc(C#N)cc2)c1 ZINC000903073698 619715790 /nfs/dbraw/zinc/71/57/90/619715790.db2.gz PTYKRERNYFAPBY-CQSZACIVSA-N 0 3 308.381 3.472 20 30 DGEDHN C=C[C@@H](C)N[C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110362 619718310 /nfs/dbraw/zinc/71/83/10/619718310.db2.gz OPTBHDFCDCJYHL-NXEZZACHSA-N 0 3 307.337 3.205 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N(CC)c1ccccc1)[C@@H]1CCCO1 ZINC000903194553 619734092 /nfs/dbraw/zinc/73/40/92/619734092.db2.gz FALVTFMJUSWTPZ-MSOLQXFVSA-N 0 3 316.445 3.143 20 30 DGEDHN Cc1cc(C(F)(F)F)ccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905083098 619968303 /nfs/dbraw/zinc/96/83/03/619968303.db2.gz BGCPAYGEOCCYSL-TXEUWIOXSA-N 0 3 307.275 3.446 20 30 DGEDHN CC1/C(=C/c2cccc(OCC(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083128 619968311 /nfs/dbraw/zinc/96/83/11/619968311.db2.gz ZESHXAGHQYSMCS-DKBJHAQFSA-N 0 3 323.274 3.060 20 30 DGEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C(C)(C)C ZINC000905083844 619968653 /nfs/dbraw/zinc/96/86/53/619968653.db2.gz GJAYGSIBPQQGPZ-KAQJVSAMSA-N 0 3 311.385 3.425 20 30 DGEDHN C#CC[C@@H](NC[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000905187449 619976645 /nfs/dbraw/zinc/97/66/45/619976645.db2.gz GJVZVINRUYJNEE-CHWSQXEVSA-N 0 3 321.289 3.289 20 30 DGEDHN C=C(CNC[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000905260455 619982620 /nfs/dbraw/zinc/98/26/20/619982620.db2.gz BFFWQHZCZIMZKR-GFCCVEGCSA-N 0 3 309.278 3.238 20 30 DGEDHN CC[C@](O)(CN[C@@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000905287643 619985719 /nfs/dbraw/zinc/98/57/19/619985719.db2.gz HBYJKPZSBZMEAT-CABCVRRESA-N 0 3 312.335 3.229 20 30 DGEDHN N#CC1CCC(Cn2cc(CNC3CCCCC3)nn2)CC1 ZINC000905815305 620033763 /nfs/dbraw/zinc/03/37/63/620033763.db2.gz HBZJUSMTHFHDGE-UHFFFAOYSA-N 0 3 301.438 3.030 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000912112986 620366083 /nfs/dbraw/zinc/36/60/83/620366083.db2.gz KGBMKTPVHLHAJT-ZWKOTPCHSA-N 0 3 316.445 3.432 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000912114610 620366436 /nfs/dbraw/zinc/36/64/36/620366436.db2.gz DSFRGDFGUZVHJC-SJORKVTESA-N 0 3 304.434 3.192 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000912220554 620374286 /nfs/dbraw/zinc/37/42/86/620374286.db2.gz IXSGFXFFPVJMGH-AWEZNQCLSA-N 0 3 314.351 3.347 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000912222030 620374353 /nfs/dbraw/zinc/37/43/53/620374353.db2.gz VWHJFTKYIDBYEW-MRXNPFEDSA-N 0 3 317.433 3.293 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Br)c1C ZINC000912249148 620376173 /nfs/dbraw/zinc/37/61/73/620376173.db2.gz VEYWHUWWUPMGHH-LBPRGKRZSA-N 0 3 311.223 3.380 20 30 DGEDHN C#CCOc1ccc(CN[C@H]2CCc3c2cccc3OC)cc1 ZINC000151909870 620480503 /nfs/dbraw/zinc/48/05/03/620480503.db2.gz JJPPOZCVYZOHHV-IBGZPJMESA-N 0 3 307.393 3.484 20 30 DGEDHN COc1cccc2c1CC[C@H]2NCc1ccc(OC)c(C#N)c1 ZINC000151929913 620482268 /nfs/dbraw/zinc/48/22/68/620482268.db2.gz BVFGOOAIXQRVRE-QGZVFWFLSA-N 0 3 308.381 3.353 20 30 DGEDHN C#CCN(C(=O)NC1CCC(CCC)CC1)C1CCN(C)CC1 ZINC000914340794 620520967 /nfs/dbraw/zinc/52/09/67/620520967.db2.gz HIMLDKCJICEXDL-UHFFFAOYSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCSCCNCc1cccc(OCC)c1OC(F)F ZINC000152957453 620529578 /nfs/dbraw/zinc/52/95/78/620529578.db2.gz ASIBIPPDGRDLMI-UHFFFAOYSA-N 0 3 315.385 3.143 20 30 DGEDHN Cc1cc(C(F)(F)F)c(C#N)c(SC[C@@H]2CCCN2C)n1 ZINC000916145588 620619415 /nfs/dbraw/zinc/61/94/15/620619415.db2.gz BSBHHWPENDNRRT-JTQLQIEISA-N 0 3 315.364 3.467 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000855235441 620882726 /nfs/dbraw/zinc/88/27/26/620882726.db2.gz HPPQJJHYKFGWGW-UHFFFAOYSA-N 0 3 322.861 3.346 20 30 DGEDHN N#Cc1cc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)cs1 ZINC000921831171 620956964 /nfs/dbraw/zinc/95/69/64/620956964.db2.gz QCLJTZMUUFVSGJ-GFCCVEGCSA-N 0 3 319.380 3.266 20 30 DGEDHN N#Cc1ccc(Br)c(CNCC[C@@H]2CCCCO2)c1 ZINC000921983650 620976244 /nfs/dbraw/zinc/97/62/44/620976244.db2.gz XJQLXMOCBWRZDG-AWEZNQCLSA-N 0 3 323.234 3.370 20 30 DGEDHN Cn1nc2c(c1CN[C@H](CCCC#N)c1ccccc1)COCC2 ZINC000922145326 620995534 /nfs/dbraw/zinc/99/55/34/620995534.db2.gz PNRGYFPLTXMMGF-QGZVFWFLSA-N 0 3 324.428 3.018 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCC[C@H]2CCOC2)c1 ZINC000922167615 621000183 /nfs/dbraw/zinc/00/01/83/621000183.db2.gz BCJAYNZNLWOCHK-LBPRGKRZSA-N 0 3 323.234 3.227 20 30 DGEDHN C=CCOCCCNCc1cc(C#N)ccc1Br ZINC000922249504 621012615 /nfs/dbraw/zinc/01/26/15/621012615.db2.gz XCDQFDUKGJKHGY-UHFFFAOYSA-N 0 3 309.207 3.003 20 30 DGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2ccccc2s1 ZINC000856736999 621014373 /nfs/dbraw/zinc/01/43/73/621014373.db2.gz QFKVAXXTUZRQIQ-RYUDHWBXSA-N 0 3 303.431 3.248 20 30 DGEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)c(C)c1OC ZINC000922759160 621095458 /nfs/dbraw/zinc/09/54/58/621095458.db2.gz FQCBNBBQNBZGML-UHFFFAOYSA-N 0 3 310.397 3.482 20 30 DGEDHN Cc1ccc(CNCc2ccc(C(=O)NC3CC3)cc2)cc1C#N ZINC000922759333 621095611 /nfs/dbraw/zinc/09/56/11/621095611.db2.gz NYMVWXVMIKUALQ-UHFFFAOYSA-N 0 3 319.408 3.049 20 30 DGEDHN C#CCOc1ccccc1CNCc1ccc(N(C)C)cc1C ZINC000115629148 621119139 /nfs/dbraw/zinc/11/91/39/621119139.db2.gz LMPATFHBJZXUOR-UHFFFAOYSA-N 0 3 308.425 3.363 20 30 DGEDHN C#CCCOc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922989860 621144625 /nfs/dbraw/zinc/14/46/25/621144625.db2.gz DTCKPTBCQJFSKD-RTWAWAEBSA-N 0 3 321.420 3.227 20 30 DGEDHN C#CCSCCNCc1cccc(F)c1OCC(F)(F)F ZINC000858142836 621157308 /nfs/dbraw/zinc/15/73/08/621157308.db2.gz OEUIAHLEOYSOJQ-UHFFFAOYSA-N 0 3 321.339 3.223 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCc2ccccc21)C(=O)NC1CCCCC1 ZINC000115903466 621158060 /nfs/dbraw/zinc/15/80/60/621158060.db2.gz LOQFBGOIQIUOBX-CRAIPNDOSA-N 0 3 324.424 3.264 20 30 DGEDHN CC(=O)N(C)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000858498224 621198219 /nfs/dbraw/zinc/19/82/19/621198219.db2.gz MEBCFZZPSXDWCN-FQEVSTJZSA-N 0 3 319.408 3.318 20 30 DGEDHN C=CC[C@H]1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000859445883 621278462 /nfs/dbraw/zinc/27/84/62/621278462.db2.gz VHHFYISUDLJDSX-INIZCTEOSA-N 0 3 313.445 3.123 20 30 DGEDHN CC(C)c1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000838790838 621281524 /nfs/dbraw/zinc/28/15/24/621281524.db2.gz KRRUQEZMGNOHRU-KRWDZBQOSA-N 0 3 312.413 3.120 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000859824521 621331560 /nfs/dbraw/zinc/33/15/60/621331560.db2.gz BCIKVGQTLUTAES-JBBSTSQOSA-N 0 3 308.809 3.144 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000860468372 621408507 /nfs/dbraw/zinc/40/85/07/621408507.db2.gz BRECTKFEQXIPQQ-BXUZGUMPSA-N 0 3 322.792 3.193 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H](C)c2ccco2)c1 ZINC000860469162 621408543 /nfs/dbraw/zinc/40/85/43/621408543.db2.gz PKVUJHLXCJVOSB-ZFWWWQNUSA-N 0 3 310.353 3.429 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860470105 621408581 /nfs/dbraw/zinc/40/85/81/621408581.db2.gz MZRNGWWZKLSFET-NLGTXKQRSA-N 0 3 310.397 3.477 20 30 DGEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000860779478 621442368 /nfs/dbraw/zinc/44/23/68/621442368.db2.gz CGSIVYDDHUIHTE-SMDDNHRTSA-N 0 3 312.291 3.092 20 30 DGEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C(C)C ZINC000860780042 621442398 /nfs/dbraw/zinc/44/23/98/621442398.db2.gz QRFADSLIBIDVTK-SMDDNHRTSA-N 0 3 314.307 3.338 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000753533237 621446511 /nfs/dbraw/zinc/44/65/11/621446511.db2.gz NIYWQHWJMKCREY-LLVKDONJSA-N 0 3 313.744 3.005 20 30 DGEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000754678008 621523967 /nfs/dbraw/zinc/52/39/67/621523967.db2.gz YXILYQZNUADTJA-KGLIPLIRSA-N 0 3 319.474 3.438 20 30 DGEDHN C=CCCCCCCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000805081056 621574496 /nfs/dbraw/zinc/57/44/96/621574496.db2.gz CQVLRHXDCKMUHA-UHFFFAOYSA-N 0 3 307.482 3.463 20 30 DGEDHN C#C[C@H](NC1CCC(CC(=O)OC)CC1)c1ccc(F)cc1 ZINC000862375362 621581516 /nfs/dbraw/zinc/58/15/16/621581516.db2.gz NYNPHUYWHFGOCA-IMRCBTMISA-N 0 3 303.377 3.212 20 30 DGEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)cc3)cc2)CC1 ZINC000755677634 621585431 /nfs/dbraw/zinc/58/54/31/621585431.db2.gz LKBCYCRGDOHQIQ-UHFFFAOYSA-N 0 3 320.440 3.312 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000862446740 621591788 /nfs/dbraw/zinc/59/17/88/621591788.db2.gz CLMVBKHRAIRHFB-GFCCVEGCSA-N 0 3 321.446 3.335 20 30 DGEDHN C=CCc1cc(CNCc2cccn2C)cc(OC)c1OC ZINC000119094566 621618836 /nfs/dbraw/zinc/61/88/36/621618836.db2.gz STGNTTPTOHBCAL-UHFFFAOYSA-N 0 3 300.402 3.061 20 30 DGEDHN CN(CCOCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000756901551 621671584 /nfs/dbraw/zinc/67/15/84/621671584.db2.gz MBLNYVNTSHFUMQ-UHFFFAOYSA-N 0 3 310.397 3.238 20 30 DGEDHN CCCCCCCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000863492446 621678306 /nfs/dbraw/zinc/67/83/06/621678306.db2.gz XFCTYUQQBMUGDP-UHFFFAOYSA-N 0 3 324.509 3.450 20 30 DGEDHN N#Cc1ccc(CNCC2(O)CCC(c3ccccc3)CC2)nc1 ZINC000863556831 621683615 /nfs/dbraw/zinc/68/36/15/621683615.db2.gz IDNHJKQLWSFZTD-UHFFFAOYSA-N 0 3 321.424 3.132 20 30 DGEDHN C#CC[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC000757617208 621728760 /nfs/dbraw/zinc/72/87/60/621728760.db2.gz NBLBDMHWXHBBBK-LJQANCHMSA-N 0 3 306.409 3.243 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000120054335 621768790 /nfs/dbraw/zinc/76/87/90/621768790.db2.gz ULMDOVMHUFREJS-AWEZNQCLSA-N 0 3 324.380 3.338 20 30 DGEDHN CCOc1cc(F)cc(CNCc2ccc(OCC#N)cc2)c1 ZINC000865452751 621924588 /nfs/dbraw/zinc/92/45/88/621924588.db2.gz WYISEWIVEJTDRI-UHFFFAOYSA-N 0 3 314.360 3.417 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNC[C@@H]1OCCc2ccccc21 ZINC000865460891 621926907 /nfs/dbraw/zinc/92/69/07/621926907.db2.gz QFTDXOBNKGFSKU-FQEVSTJZSA-N 0 3 321.424 3.028 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN[C@H](CCCO)c1ccccc1 ZINC000865472423 621929062 /nfs/dbraw/zinc/92/90/62/621929062.db2.gz ASIQKFGIWBTEIW-LJQANCHMSA-N 0 3 323.440 3.228 20 30 DGEDHN Cc1cc(OCC(=O)C(C#N)c2ccncn2)cc(C)c1Cl ZINC000760340725 621933475 /nfs/dbraw/zinc/93/34/75/621933475.db2.gz NSUIODRCOSFJEY-ZDUSSCGKSA-N 0 3 315.760 3.002 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000760346588 621933923 /nfs/dbraw/zinc/93/39/23/621933923.db2.gz SMKFIKAMVNAKIB-ADAWSYLGSA-N 0 3 315.417 3.130 20 30 DGEDHN Cc1ccc(C(C)C)cc1OCC(=O)C(C#N)c1ccncn1 ZINC000760351389 621934275 /nfs/dbraw/zinc/93/42/75/621934275.db2.gz FOWCFMLSHFKFNS-OAHLLOKOSA-N 0 3 309.369 3.164 20 30 DGEDHN CC[C@@](C)(CC(=O)OC)NCc1cc(Cl)ccc1OCC#N ZINC000760913678 621973637 /nfs/dbraw/zinc/97/36/37/621973637.db2.gz ZXGNEWAZORPCKZ-INIZCTEOSA-N 0 3 324.808 3.064 20 30 DGEDHN CC1(c2ccc(CNCc3cc(C#N)cs3)cc2)OCCO1 ZINC000865669667 621974830 /nfs/dbraw/zinc/97/48/30/621974830.db2.gz HYEFCBOFYWHJBX-UHFFFAOYSA-N 0 3 314.410 3.129 20 30 DGEDHN CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866308023 622090242 /nfs/dbraw/zinc/09/02/42/622090242.db2.gz OQVXLOGVVGONDA-CVEARBPZSA-N 0 3 315.461 3.282 20 30 DGEDHN C=CCn1cc(CN[C@H](C)CCc2cncc3ccccc32)nn1 ZINC000866380011 622106955 /nfs/dbraw/zinc/10/69/55/622106955.db2.gz YGSTZHZIPIQMEG-OAHLLOKOSA-N 0 3 321.428 3.123 20 30 DGEDHN C[C@@H]1C[C@@H](NC2CCN(c3ccccc3C#N)CC2)c2nccn21 ZINC000866448460 622120579 /nfs/dbraw/zinc/12/05/79/622120579.db2.gz GHHQTRVLQNKKJD-RHSMWYFYSA-N 0 3 321.428 3.019 20 30 DGEDHN N#CC(C(=O)C1Cc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000763921898 622168957 /nfs/dbraw/zinc/16/89/57/622168957.db2.gz ABEMUZSNYOBULH-OAHLLOKOSA-N 0 3 301.349 3.154 20 30 DGEDHN C#CCN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000763949153 622170728 /nfs/dbraw/zinc/17/07/28/622170728.db2.gz HKOYUDQXLCSVLA-KRWDZBQOSA-N 0 3 318.420 3.253 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)c1 ZINC000121664239 622170822 /nfs/dbraw/zinc/17/08/22/622170822.db2.gz HHZMJDHEVQBFGK-CQSZACIVSA-N 0 3 302.374 3.169 20 30 DGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CCCCO1 ZINC000121977932 622207468 /nfs/dbraw/zinc/20/74/68/622207468.db2.gz QXOHCSHKQJRHCG-WBVHZDCISA-N 0 3 322.364 3.056 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCOCC2CCC2)c([O-])c1 ZINC000764886552 622229703 /nfs/dbraw/zinc/22/97/03/622229703.db2.gz BLFBJEFDRYGVIM-UYRXBGFRSA-N 0 3 304.434 3.474 20 30 DGEDHN C[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)c2ccccc21 ZINC000765067091 622243782 /nfs/dbraw/zinc/24/37/82/622243782.db2.gz LBONGHOTUCSZOF-GFCCVEGCSA-N 0 3 315.804 3.174 20 30 DGEDHN C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C#N ZINC000805901656 625553466 /nfs/dbraw/zinc/55/34/66/625553466.db2.gz STNYPIKAJILJCG-HNNXBMFYSA-N 0 3 314.429 3.380 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2sccc2CC#N)c(F)c1 ZINC000868868799 622294748 /nfs/dbraw/zinc/29/47/48/622294748.db2.gz JNZJDLUSGZGJEC-UHFFFAOYSA-N 0 3 317.389 3.267 20 30 DGEDHN C=CC[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccncc1 ZINC000766017396 622300650 /nfs/dbraw/zinc/30/06/50/622300650.db2.gz BEAAFCMQUIOPDE-KSSFIOAISA-N 0 3 320.400 3.025 20 30 DGEDHN CCN1C[C@@H](C)N(Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000766254952 622315445 /nfs/dbraw/zinc/31/54/45/622315445.db2.gz VFBRMTLEULBAJS-ZIAGYGMSSA-N 0 3 321.852 3.157 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCCN(C)C2=O)cc1 ZINC000766436608 622329839 /nfs/dbraw/zinc/32/98/39/622329839.db2.gz JYKMGVRLGIUQBI-BBRMVZONSA-N 0 3 322.836 3.089 20 30 DGEDHN Cc1cc(CNC[C@H](O)c2c(F)cccc2Cl)ccc1C#N ZINC000767690215 622415888 /nfs/dbraw/zinc/41/58/88/622415888.db2.gz JXUSNVIVLLSBHR-INIZCTEOSA-N 0 3 318.779 3.482 20 30 DGEDHN Cc1cc2c(CC(=O)C(C#N)C(=O)NC(C)C)csc2s1 ZINC000870143831 622437052 /nfs/dbraw/zinc/43/70/52/622437052.db2.gz ZMLWUKBBAHMKIH-GFCCVEGCSA-N 0 3 320.439 3.047 20 30 DGEDHN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000122983960 622439478 /nfs/dbraw/zinc/43/94/78/622439478.db2.gz SHZXJBBPSQDRLQ-RDTXWAMCSA-N 0 3 319.364 3.137 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000871272334 622584584 /nfs/dbraw/zinc/58/45/84/622584584.db2.gz DLRYZIIUSRNJPC-UHFFFAOYSA-N 0 3 310.319 3.047 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000770049829 622595330 /nfs/dbraw/zinc/59/53/30/622595330.db2.gz PVLVVYGWUOKHCS-QFBILLFUSA-N 0 3 300.446 3.378 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CO)c2sccc2C)cc1 ZINC000773045984 622973055 /nfs/dbraw/zinc/97/30/55/622973055.db2.gz KSSJEQYBZBSPDF-PBHICJAKSA-N 0 3 315.438 3.453 20 30 DGEDHN C#CC[C@@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000773107398 622984764 /nfs/dbraw/zinc/98/47/64/622984764.db2.gz NTTNWCHSXAAYLS-DNVCBOLYSA-N 0 3 317.396 3.078 20 30 DGEDHN CC(C)N(C)c1ccc(C=NNCCCc2ccccc2)cn1 ZINC000790162158 625611245 /nfs/dbraw/zinc/61/12/45/625611245.db2.gz QKDSMBSYRUTORL-UHFFFAOYSA-N 0 3 310.445 3.483 20 30 DGEDHN CC[C@@H](C)NN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000790184155 625614195 /nfs/dbraw/zinc/61/41/95/625614195.db2.gz YMIDIXVQPXASNA-CQSZACIVSA-N 0 3 303.450 3.403 20 30 DGEDHN Cc1nc(C#N)cc(NC[C@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000882044522 625617827 /nfs/dbraw/zinc/61/78/27/625617827.db2.gz MNLUJLFKUIWYDQ-OAHLLOKOSA-N 0 3 315.808 3.025 20 30 DGEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000773767212 623071089 /nfs/dbraw/zinc/07/10/89/623071089.db2.gz ACPZLAWWWBJQOO-TZMCWYRMSA-N 0 3 304.415 3.174 20 30 DGEDHN Fc1ccc(CCN2CCC(=NOC3CCOCC3)CC2)cc1 ZINC000774453898 623147004 /nfs/dbraw/zinc/14/70/04/623147004.db2.gz RWOZXJPHQOTXPV-UHFFFAOYSA-N 0 3 320.408 3.016 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873498957 623160398 /nfs/dbraw/zinc/16/03/98/623160398.db2.gz VNLFJVPWBHFJPI-AWEZNQCLSA-N 0 3 312.369 3.089 20 30 DGEDHN N#CC1(COC(=O)C2CCN(Cc3ccccc3)CC2)CCC1 ZINC000805920370 625627180 /nfs/dbraw/zinc/62/71/80/625627180.db2.gz REEVFHNGGJEUAP-UHFFFAOYSA-N 0 3 312.413 3.136 20 30 DGEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000775226813 623243559 /nfs/dbraw/zinc/24/35/59/623243559.db2.gz KLURBNJBUNMVOD-LBPRGKRZSA-N 0 3 316.744 3.132 20 30 DGEDHN C[C@H](NC[C@@H](O)c1cc(F)ccc1F)c1cccc(C#N)c1 ZINC000775338886 623256258 /nfs/dbraw/zinc/25/62/58/623256258.db2.gz UIVRTOJKPKBOSV-APPDUMDISA-N 0 3 302.324 3.221 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)COc1cc(C)ccc1C)c1ccccc1 ZINC000775398810 623267958 /nfs/dbraw/zinc/26/79/58/623267958.db2.gz BSIKEKDAIGTKHR-UXHICEINSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@H](NC[C@H](O)COc1cc(C)ccc1C)c1ccccc1 ZINC000775398808 623268023 /nfs/dbraw/zinc/26/80/23/623268023.db2.gz BSIKEKDAIGTKHR-PMACEKPBSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@H](NC[C@H](O)COc1cccc(C)c1)c1ccccc1 ZINC000775400785 623268558 /nfs/dbraw/zinc/26/85/58/623268558.db2.gz MPAAPQDFTYLACM-ICSRJNTNSA-N 0 3 309.409 3.089 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)COc1ccc(C)cc1C)c1ccccc1 ZINC000775405046 623270440 /nfs/dbraw/zinc/27/04/40/623270440.db2.gz UKGKDTGAOIYPSK-VQTJNVASSA-N 0 3 323.436 3.397 20 30 DGEDHN CC(C)C[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000775460343 623276888 /nfs/dbraw/zinc/27/68/88/623276888.db2.gz IQDZQNFQKIQVKI-OAHLLOKOSA-N 0 3 307.825 3.047 20 30 DGEDHN C#CCCOc1ccc(CN2CCOCC3(CCCC3)C2)cc1 ZINC000776007815 623363368 /nfs/dbraw/zinc/36/33/68/623363368.db2.gz KAKTWKBZNAYRSD-UHFFFAOYSA-N 0 3 313.441 3.481 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000874903448 623388390 /nfs/dbraw/zinc/38/83/90/623388390.db2.gz JQSPWVGSLIYWOP-QGZVFWFLSA-N 0 3 321.371 3.157 20 30 DGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000125353256 623431669 /nfs/dbraw/zinc/43/16/69/623431669.db2.gz BPCOOAAPUSGGTQ-DLBZAZTESA-N 0 3 313.445 3.362 20 30 DGEDHN C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C#N)c(F)c1 ZINC000776725813 623455958 /nfs/dbraw/zinc/45/59/58/623455958.db2.gz GIVIXXBRGDUNMU-LLVKDONJSA-N 0 3 312.348 3.039 20 30 DGEDHN Cc1ccc(NC(=O)Cc2ccccc2CC#N)c(CN(C)C)c1 ZINC000776924363 623476890 /nfs/dbraw/zinc/47/68/90/623476890.db2.gz AWZJKYJNMLGDLT-UHFFFAOYSA-N 0 3 321.424 3.304 20 30 DGEDHN C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cccc(C#N)c1 ZINC000777574929 623543780 /nfs/dbraw/zinc/54/37/80/623543780.db2.gz OOKGDPAYEJWCEX-ZDUSSCGKSA-N 0 3 303.369 3.194 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)[C@H](C)CC ZINC000778170080 623619225 /nfs/dbraw/zinc/61/92/25/623619225.db2.gz JPQFGWSWPBRODE-DYVFJYSZSA-N 0 3 309.837 3.239 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC[C@@H]1OC ZINC000778178086 623621143 /nfs/dbraw/zinc/62/11/43/623621143.db2.gz IVIMFLFJDYLQFL-BBRMVZONSA-N 0 3 307.821 3.257 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC1C[C@H](C)O[C@@H](C)C1 ZINC000778178850 623621409 /nfs/dbraw/zinc/62/14/09/623621409.db2.gz NPGRHNZRCPPBBH-STQMWFEESA-N 0 3 307.821 3.398 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000876561865 623644488 /nfs/dbraw/zinc/64/44/88/623644488.db2.gz MFXGKNCGTSNKSD-UONOGXRCSA-N 0 3 313.228 3.377 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000876575261 623648784 /nfs/dbraw/zinc/64/87/84/623648784.db2.gz YTMNAADOXNLBQY-CQSZACIVSA-N 0 3 323.824 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(Cl)cccc1Cl ZINC000876592070 623654036 /nfs/dbraw/zinc/65/40/36/623654036.db2.gz NTGNHTCPHLLOMI-NSHDSACASA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccccc1OCC ZINC000876591162 623654158 /nfs/dbraw/zinc/65/41/58/623654158.db2.gz IJFIVVVDUCQFFB-KBPBESRZSA-N 0 3 310.825 3.123 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000876591255 623654210 /nfs/dbraw/zinc/65/42/10/623654210.db2.gz JSMPASFIYPMEFZ-HOTGVXAUSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCc1cccc2ccccc21 ZINC000876630315 623664631 /nfs/dbraw/zinc/66/46/31/623664631.db2.gz XBMCARWRGIQIJX-KRWDZBQOSA-N 0 3 316.832 3.311 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000876638027 623667054 /nfs/dbraw/zinc/66/70/54/623667054.db2.gz ZXSHQHKDRRCINU-JKSUJKDBSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000876644981 623668551 /nfs/dbraw/zinc/66/85/51/623668551.db2.gz GWUQMIBJYRBVAS-YESZJQIVSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000876647520 623669517 /nfs/dbraw/zinc/66/95/17/623669517.db2.gz LIOQUMCQSOLXHP-GJZGRUSLSA-N 0 3 310.800 3.253 20 30 DGEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)n1 ZINC000876661766 623673528 /nfs/dbraw/zinc/67/35/28/623673528.db2.gz HGFILWHYSJTYQQ-MOPGFXCFSA-N 0 3 307.397 3.041 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000876663734 623674130 /nfs/dbraw/zinc/67/41/30/623674130.db2.gz CIAHKWYURWHBHK-NVXWUHKLSA-N 0 3 306.837 3.037 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccc(Cl)s1 ZINC000876663302 623674164 /nfs/dbraw/zinc/67/41/64/623674164.db2.gz RSLBBAXYHMQXBT-DTWKUNHWSA-N 0 3 307.246 3.439 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000876670277 623676358 /nfs/dbraw/zinc/67/63/58/623676358.db2.gz BFULOMPPVIAXHJ-WKPIXPDZSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000876672038 623677041 /nfs/dbraw/zinc/67/70/41/623677041.db2.gz RSMCHYNNEROBQB-NZVBXONLSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000876690937 623683230 /nfs/dbraw/zinc/68/32/30/623683230.db2.gz VOOSECMWTGHCSM-DZGCQCFKSA-N 0 3 324.877 3.097 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1O[C@H](C)CC ZINC000876692297 623684024 /nfs/dbraw/zinc/68/40/24/623684024.db2.gz PUWJJRFDGOSQAN-UKRRQHHQSA-N 0 3 324.852 3.258 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)CSc1ccccc1 ZINC000876888025 623737468 /nfs/dbraw/zinc/73/74/68/623737468.db2.gz MLRLEYLQJNGPDX-JSGCOSHPSA-N 0 3 312.866 3.143 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)[C@@H]1CCCc2cccnc21 ZINC000876900773 623740031 /nfs/dbraw/zinc/74/00/31/623740031.db2.gz QRFVISWQRGMUPI-HUUCEWRRSA-N 0 3 321.852 3.168 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000876908715 623741761 /nfs/dbraw/zinc/74/17/61/623741761.db2.gz PWXBRWKUQIAJIO-HZPDHXFCSA-N 0 3 308.853 3.087 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000876949137 623752311 /nfs/dbraw/zinc/75/23/11/623752311.db2.gz SOIOSKVICDPUPD-GOEBONIOSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000876956099 623753847 /nfs/dbraw/zinc/75/38/47/623753847.db2.gz GTPPXJLKNIKPEG-DOTOQJQBSA-N 0 3 306.837 3.080 20 30 DGEDHN C=CC[C@@H](C)NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877037269 623772449 /nfs/dbraw/zinc/77/24/49/623772449.db2.gz YZMMCYHWJBSOFM-GFCCVEGCSA-N 0 3 321.421 3.063 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCCSc2nccs2)c1 ZINC000877061923 623780063 /nfs/dbraw/zinc/78/00/63/623780063.db2.gz VGTRFNGFDUOHEL-UHFFFAOYSA-N 0 3 324.862 3.335 20 30 DGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877109956 623793145 /nfs/dbraw/zinc/79/31/45/623793145.db2.gz JKDQPIUSGDUUKU-UONOGXRCSA-N 0 3 307.825 3.290 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000877117574 623795118 /nfs/dbraw/zinc/79/51/18/623795118.db2.gz JONXRMWFABBPGU-RBSFLKMASA-N 0 3 317.820 3.044 20 30 DGEDHN C=CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000790603226 625676549 /nfs/dbraw/zinc/67/65/49/625676549.db2.gz LCJOXMWUQFYRQP-UHFFFAOYSA-N 0 3 317.502 3.081 20 30 DGEDHN CC(C)(C)[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877124342 623797024 /nfs/dbraw/zinc/79/70/24/623797024.db2.gz VJWKQOXAJKYTOT-ZIAGYGMSSA-N 0 3 307.825 3.290 20 30 DGEDHN CC(C)(C)c1ccc(CNC(=O)[C@H](N)CCCCC#N)s1 ZINC000877306336 623846664 /nfs/dbraw/zinc/84/66/64/623846664.db2.gz NRZQDEAMESNYLB-CYBMUJFWSA-N 0 3 307.463 3.073 20 30 DGEDHN C[C@@H](CN(C)Cc1cc(C#N)ccc1N(C)C)c1nccs1 ZINC000877316154 623849816 /nfs/dbraw/zinc/84/98/16/623849816.db2.gz LZMKIFBRTAHPQN-ZDUSSCGKSA-N 0 3 314.458 3.316 20 30 DGEDHN CC1(C)C[C@H](NN=C2CCCC[C@@H]2N2CCCCC2)CCO1 ZINC000780240327 623889124 /nfs/dbraw/zinc/88/91/24/623889124.db2.gz BLMJZJXKXJAWPA-WBVHZDCISA-N 0 3 307.482 3.318 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(N2CCCC2)c1 ZINC000877455556 623889142 /nfs/dbraw/zinc/88/91/42/623889142.db2.gz LYWVBRSQDDLATR-CQSZACIVSA-N 0 3 307.825 3.004 20 30 DGEDHN CCC(CC)(CNCC1(C#N)CC1)CNC(=O)OC(C)(C)C ZINC000877493603 623910088 /nfs/dbraw/zinc/91/00/88/623910088.db2.gz GLGFVFIKZYWVJE-UHFFFAOYSA-N 0 3 309.454 3.211 20 30 DGEDHN CC(C)O[C@@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877611429 623961941 /nfs/dbraw/zinc/96/19/41/623961941.db2.gz RDYLJZNNWKTAIX-QGZVFWFLSA-N 0 3 301.434 3.014 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@H](OC2CCC2)C1 ZINC000877618147 623963720 /nfs/dbraw/zinc/96/37/20/623963720.db2.gz IZRNKKPTWKKLOS-SFHVURJKSA-N 0 3 313.445 3.158 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000780745926 623977133 /nfs/dbraw/zinc/97/71/33/623977133.db2.gz SZKXEDDSYVFRPN-CQSZACIVSA-N 0 3 324.852 3.030 20 30 DGEDHN COCCOc1ccccc1CN(C)CCc1cccc(C#N)c1 ZINC000877703804 623998889 /nfs/dbraw/zinc/99/88/89/623998889.db2.gz DTBDGDFCOQXPPX-UHFFFAOYSA-N 0 3 324.424 3.258 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccnc(Cl)c1F)C2 ZINC000877767326 624027734 /nfs/dbraw/zinc/02/77/34/624027734.db2.gz ZNSYYSNEMWDMKV-CQSZACIVSA-N 0 3 301.752 3.003 20 30 DGEDHN N#Cc1ccc(OCCCN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781351737 624058500 /nfs/dbraw/zinc/05/85/00/624058500.db2.gz BTOAERISKZLHJW-OAHLLOKOSA-N 0 3 310.344 3.031 20 30 DGEDHN C[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000781422359 624068994 /nfs/dbraw/zinc/06/89/94/624068994.db2.gz XIYDAIRQXDQLRN-APPDUMDISA-N 0 3 302.324 3.221 20 30 DGEDHN COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000781422440 624069068 /nfs/dbraw/zinc/06/90/68/624069068.db2.gz XZFIHYAKQZTOSB-SJKOYZFVSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000781422944 624070041 /nfs/dbraw/zinc/07/00/41/624070041.db2.gz ROUZJOMEWCDQMK-TZMCWYRMSA-N 0 3 304.365 3.034 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000878009533 624133677 /nfs/dbraw/zinc/13/36/77/624133677.db2.gz VOSIPGNZBUACLI-UHFFFAOYSA-N 0 3 300.446 3.323 20 30 DGEDHN CCN(CCO)c1ccc(C=NN[C@H]2CCCC2(C)C)c(C)c1 ZINC000782298995 624235390 /nfs/dbraw/zinc/23/53/90/624235390.db2.gz DUHXGVUEJFMFSS-SFHVURJKSA-N 0 3 317.477 3.316 20 30 DGEDHN C[C@@H](NCC1OCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782522942 624259481 /nfs/dbraw/zinc/25/94/81/624259481.db2.gz HOVRQOOCYLCFGK-CQSZACIVSA-N 0 3 308.381 3.249 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878386531 624263792 /nfs/dbraw/zinc/26/37/92/624263792.db2.gz SKRGHWUCSWDMCD-SFHVURJKSA-N 0 3 319.445 3.286 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCCS1 ZINC000783353217 624339665 /nfs/dbraw/zinc/33/96/65/624339665.db2.gz SCLBIFBIADULDV-ZWNOBZJWSA-N 0 3 322.817 3.273 20 30 DGEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H](CCF)C1)c1ccccc1 ZINC000878949338 624394907 /nfs/dbraw/zinc/39/49/07/624394907.db2.gz LKZNZJWPXNCSRU-IEBWSBKVSA-N 0 3 316.420 3.499 20 30 DGEDHN N#Cc1ccc(CN2CCCCCCNC(=O)CC2)c(Cl)c1 ZINC000879255882 624466578 /nfs/dbraw/zinc/46/65/78/624466578.db2.gz SUDUDJOIBOMEAX-UHFFFAOYSA-N 0 3 319.836 3.094 20 30 DGEDHN N#CC1(c2ccc(COC(=O)C3CCN(C4CC4)CC3)cc2)CC1 ZINC000784647739 624564801 /nfs/dbraw/zinc/56/48/01/624564801.db2.gz ICTBTIDLERHCBX-UHFFFAOYSA-N 0 3 324.424 3.159 20 30 DGEDHN CC(C)(C)OCCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586649 624598899 /nfs/dbraw/zinc/59/88/99/624598899.db2.gz QQZLJEPFVGCFQL-UHFFFAOYSA-N 0 3 315.461 3.276 20 30 DGEDHN C[C@H](CCC#N)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879605832 624604926 /nfs/dbraw/zinc/60/49/26/624604926.db2.gz SFESUGXSCUJIIS-OAHLLOKOSA-N 0 3 315.417 3.069 20 30 DGEDHN Cc1csc([C@@H]2CCN(CCOc3ccccc3C#N)C2)n1 ZINC000880009148 624752620 /nfs/dbraw/zinc/75/26/20/624752620.db2.gz GCOMKUNFBBZKCF-OAHLLOKOSA-N 0 3 313.426 3.192 20 30 DGEDHN N#CCc1ccc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC000880188476 624827922 /nfs/dbraw/zinc/82/79/22/624827922.db2.gz GUDRQGSUGRCHTL-PMACEKPBSA-N 0 3 303.409 3.216 20 30 DGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530820 624911536 /nfs/dbraw/zinc/91/15/36/624911536.db2.gz KFSWRSLISKZPMY-SMDDNHRTSA-N 0 3 306.793 3.101 20 30 DGEDHN C=CCCC[C@H](NCC(=O)NCC(F)(F)F)c1ccccc1 ZINC000880389144 624948841 /nfs/dbraw/zinc/94/88/41/624948841.db2.gz SADZMBCPLGGWBS-AWEZNQCLSA-N 0 3 314.351 3.352 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCC(C)(F)F)c1ccccc1 ZINC000787042052 624973923 /nfs/dbraw/zinc/97/39/23/624973923.db2.gz SBMNQZDDOKPDLC-KBPBESRZSA-N 0 3 322.355 3.398 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CSC(C)C)c1ccccc1 ZINC000787044097 624974044 /nfs/dbraw/zinc/97/40/44/624974044.db2.gz FEOBUWYREFZCNZ-CABCVRRESA-N 0 3 318.442 3.104 20 30 DGEDHN CCN(Cc1ccccc1)c1ccc(C=NN[C@H]2CCOC2)cc1 ZINC000788455586 625179576 /nfs/dbraw/zinc/17/95/76/625179576.db2.gz GTPGZBBOAIQYRE-IBGZPJMESA-N 0 3 323.440 3.426 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(C#N)c(F)c1 ZINC000791436675 625801977 /nfs/dbraw/zinc/80/19/77/625801977.db2.gz HOHCYDUNVRJAPC-UHFFFAOYSA-N 0 3 318.392 3.394 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000130759081 625897958 /nfs/dbraw/zinc/89/79/58/625897958.db2.gz BVJPKBKDIAPSLP-OAHLLOKOSA-N 0 3 305.381 3.481 20 30 DGEDHN C=CCC[C@@H](CO)NCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000883138739 625940815 /nfs/dbraw/zinc/94/08/15/625940815.db2.gz NNACCSKUCJSTKF-AWEZNQCLSA-N 0 3 319.836 3.157 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC000796638132 626068266 /nfs/dbraw/zinc/06/82/66/626068266.db2.gz YTWCWTAPWKEPAW-GXTWGEPZSA-N 0 3 320.339 3.332 20 30 DGEDHN C[C@@H](NCCO[C@@H](C)C#N)c1ccc(Br)cc1F ZINC000796690950 626073642 /nfs/dbraw/zinc/07/36/42/626073642.db2.gz BQQGVFZVSAWXGO-VHSXEESVSA-N 0 3 315.186 3.167 20 30 DGEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccncc1 ZINC000796772412 626081155 /nfs/dbraw/zinc/08/11/55/626081155.db2.gz RTEHIJJWOVXJFJ-BBRMVZONSA-N 0 3 323.396 3.381 20 30 DGEDHN CC(C)Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000796792890 626083677 /nfs/dbraw/zinc/08/36/77/626083677.db2.gz MFHAXZFJWKCVCY-WMLDXEAASA-N 0 3 314.429 3.222 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000797548147 626152110 /nfs/dbraw/zinc/15/21/10/626152110.db2.gz AHNIVFCNBBWHDN-MWQQHZPXSA-N 0 3 312.413 3.051 20 30 DGEDHN CCN1CCCC[C@@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567956 626154168 /nfs/dbraw/zinc/15/41/68/626154168.db2.gz DJDOZDVMOUKEMI-CHWSQXEVSA-N 0 3 319.474 3.491 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1occc1Br ZINC000797878115 626176354 /nfs/dbraw/zinc/17/63/54/626176354.db2.gz MTFOGUZENMIQTQ-MFKMUULPSA-N 0 3 300.196 3.113 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000798187281 626200750 /nfs/dbraw/zinc/20/07/50/626200750.db2.gz OJYPJCPYZFDUQL-GOSISDBHSA-N 0 3 322.383 3.092 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2C2CC2)c1 ZINC000798816204 626247671 /nfs/dbraw/zinc/24/76/71/626247671.db2.gz ITGJFRBFZDWXLJ-HNNXBMFYSA-N 0 3 324.336 3.127 20 30 DGEDHN CC(C)[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)N(C)C ZINC000798863700 626250924 /nfs/dbraw/zinc/25/09/24/626250924.db2.gz AOQYXIDGEXRWPD-YPMHNXCESA-N 0 3 307.463 3.203 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800385547 626355004 /nfs/dbraw/zinc/35/50/04/626355004.db2.gz ZMIOLNLNUXETKI-YPMHNXCESA-N 0 3 306.312 3.159 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000800385740 626355138 /nfs/dbraw/zinc/35/51/38/626355138.db2.gz DTUIJCMTMOFDEM-IUODEOHRSA-N 0 3 302.374 3.169 20 30 DGEDHN Cc1cc(F)cc2c1CN(C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000800472449 626363039 /nfs/dbraw/zinc/36/30/39/626363039.db2.gz PADDIMKIMDPPPL-IBGZPJMESA-N 0 3 310.372 3.098 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(COC)CCC2)c([O-])c1 ZINC000800721348 626372511 /nfs/dbraw/zinc/37/25/11/626372511.db2.gz MATIENHJRNLEJY-XDHOZWIPSA-N 0 3 304.434 3.474 20 30 DGEDHN N#Cc1ccc(N2CCN([C@H]3CCCc4ccccc43)CC2)cn1 ZINC000801554704 626409616 /nfs/dbraw/zinc/40/96/16/626409616.db2.gz OJNODQSIOZMVTI-FQEVSTJZSA-N 0 3 318.424 3.153 20 30 DGEDHN Cc1cc(C)c(CN2CCN(c3ccc(C#N)nc3)CC2)c(C)c1 ZINC000801552332 626409622 /nfs/dbraw/zinc/40/96/22/626409622.db2.gz IKZLGCXFQPAZBF-UHFFFAOYSA-N 0 3 320.440 3.201 20 30 DGEDHN COc1ccc2oc([C@H](C)NCCO[C@H](C)C#N)c(C)c2c1 ZINC000801940834 626427261 /nfs/dbraw/zinc/42/72/61/626427261.db2.gz FWHNEEPNBZJSHM-YPMHNXCESA-N 0 3 302.374 3.329 20 30 DGEDHN C=CCCC[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000883220254 626613528 /nfs/dbraw/zinc/61/35/28/626613528.db2.gz GXAACNQKHIEDNW-MRXNPFEDSA-N 0 3 307.459 3.251 20 30 DGEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804424720 626678352 /nfs/dbraw/zinc/67/83/52/626678352.db2.gz MVPOZELPQBOEBG-OZVIIMIRSA-N 0 3 322.811 3.142 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000807740049 626767621 /nfs/dbraw/zinc/76/76/21/626767621.db2.gz RYUXZKVYRLHSKV-IEBWSBKVSA-N 0 3 312.457 3.349 20 30 DGEDHN C#CCCCCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000808076024 626791556 /nfs/dbraw/zinc/79/15/56/626791556.db2.gz JWPVWSBKAXJLAU-UHFFFAOYSA-N 0 3 321.424 3.077 20 30 DGEDHN C#CCOc1ccccc1CN1CCC(c2cccnc2)CC1 ZINC000809738579 626943978 /nfs/dbraw/zinc/94/39/78/626943978.db2.gz ZWFKNKGDAAVMBV-UHFFFAOYSA-N 0 3 306.409 3.473 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccccc3)[n-]1)CC2 ZINC000810234022 626990886 /nfs/dbraw/zinc/99/08/86/626990886.db2.gz VNZQCWFKIURYHV-KRWDZBQOSA-N 0 3 315.380 3.120 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000810251580 626992553 /nfs/dbraw/zinc/99/25/53/626992553.db2.gz YOGMRSIJMCWSDP-OAHLLOKOSA-N 0 3 320.392 3.430 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)CCC1 ZINC000885933507 627063691 /nfs/dbraw/zinc/06/36/91/627063691.db2.gz WIGIUFVIYLOVIK-GOSISDBHSA-N 0 3 314.404 3.360 20 30 DGEDHN C#CC[C@H]1CCN([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886359476 627142473 /nfs/dbraw/zinc/14/24/73/627142473.db2.gz CWBJKRPQUAUXPI-KGLIPLIRSA-N 0 3 311.385 3.151 20 30 DGEDHN CCN(CC1(CC#N)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411310 627146135 /nfs/dbraw/zinc/14/61/35/627146135.db2.gz RRSCVACCJXQBJP-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN CCN(CC1(CC#N)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411311 627146412 /nfs/dbraw/zinc/14/64/12/627146412.db2.gz RRSCVACCJXQBJP-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN C#CCN(C(=O)c1ccc(C2CCC2)cc1)C1CCN(C)CC1 ZINC000886577802 627166440 /nfs/dbraw/zinc/16/64/40/627166440.db2.gz XYMVHDVFZVFQDK-UHFFFAOYSA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCN(C(=O)c1cc(C)c(Cl)cc1C)C1CCN(C)CC1 ZINC000886577750 627166505 /nfs/dbraw/zinc/16/65/05/627166505.db2.gz WCSWWZAJAAJMCQ-UHFFFAOYSA-N 0 3 318.848 3.126 20 30 DGEDHN C#CCN(C(=O)[C@H](CC)CC1CCCC1)C1CCN(C)CC1 ZINC000886581482 627167415 /nfs/dbraw/zinc/16/74/15/627167415.db2.gz YNODNVLDDSUJCL-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN N#CC1(CCN2CC[C@](CO)(C(F)(F)F)C2)CCCCC1 ZINC000886813713 627207620 /nfs/dbraw/zinc/20/76/20/627207620.db2.gz TYSDIXPTWZKFSL-AWEZNQCLSA-N 0 3 304.356 3.097 20 30 DGEDHN C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000221271026 627217351 /nfs/dbraw/zinc/21/73/51/627217351.db2.gz GAPWCCHUFYQOQA-KBPBESRZSA-N 0 3 309.454 3.304 20 30 DGEDHN C=CC[C@H](Nc1cccc2c1CN(CCCC)C2)C(=O)OC ZINC000887308820 627241739 /nfs/dbraw/zinc/24/17/39/627241739.db2.gz AZRKHJQPQNAJTQ-KRWDZBQOSA-N 0 3 302.418 3.332 20 30 DGEDHN C#CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000811518041 627286478 /nfs/dbraw/zinc/28/64/78/627286478.db2.gz DVGDTXHVDJHURM-RTBURBONSA-N 0 3 311.425 3.232 20 30 DGEDHN Cn1c2ccccc2nc1N=NC1CCc2ccc(C#N)cc21 ZINC000811638285 627297140 /nfs/dbraw/zinc/29/71/40/627297140.db2.gz VVMXBVSKPROEIJ-UHFFFAOYSA-N 0 3 301.353 3.207 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C[C@@H]2CCC[C@H](C)C2)OC)CC1 ZINC000812032551 627348513 /nfs/dbraw/zinc/34/85/13/627348513.db2.gz NINJHNDKRFWWLG-JKSUJKDBSA-N 0 3 323.481 3.036 20 30 DGEDHN CC(C)[C@H](C(=O)N(C)Cc1cc(C#N)cs1)N1CCCCC1 ZINC000887972460 627351265 /nfs/dbraw/zinc/35/12/65/627351265.db2.gz WNSONZOFECPANT-MRXNPFEDSA-N 0 3 319.474 3.089 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000889501045 627429801 /nfs/dbraw/zinc/42/98/01/627429801.db2.gz TUWUVLJEUNPHAW-UHFFFAOYSA-N 0 3 304.434 3.225 20 30 DGEDHN CC(COC(=O)c1ccccc1-c1ccccc1C#N)[N+](=O)[O-] ZINC000813112403 627451671 /nfs/dbraw/zinc/45/16/71/627451671.db2.gz GLXKNCZWLOFPHH-LBPRGKRZSA-N 0 3 310.309 3.047 20 30 DGEDHN CCC(C)(C)N(CCC#N)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813188603 627465566 /nfs/dbraw/zinc/46/55/66/627465566.db2.gz CNUJZXJRBNJAJH-KRWDZBQOSA-N 0 3 311.445 3.130 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217416 627468603 /nfs/dbraw/zinc/46/86/03/627468603.db2.gz FTAFAIKCQRYWPJ-UIIMQBOASA-N 0 3 324.302 3.259 20 30 DGEDHN C=CCCC[C@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000889929004 627484424 /nfs/dbraw/zinc/48/44/24/627484424.db2.gz ONKLLHIXVMUFRI-SFHVURJKSA-N 0 3 315.461 3.431 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cnccc2OC)c([O-])c1 ZINC000814182941 627547935 /nfs/dbraw/zinc/54/79/35/627547935.db2.gz APPFSLPSONQLFF-RGVLZGJSSA-N 0 3 313.401 3.261 20 30 DGEDHN C#CCNC(=O)CCN(CCCC)Cc1ccccc1Cl ZINC000815033636 627618477 /nfs/dbraw/zinc/61/84/77/627618477.db2.gz NSOMNVIFUSQEKX-UHFFFAOYSA-N 0 3 306.837 3.082 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000924698783 627669478 /nfs/dbraw/zinc/66/94/78/627669478.db2.gz CADZTJHQGKKEMI-WBVHZDCISA-N 0 3 313.445 3.268 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(OC2CCOCC2)c1 ZINC000925054293 627704277 /nfs/dbraw/zinc/70/42/77/627704277.db2.gz NMCKSWPHVZGIDV-AWEZNQCLSA-N 0 3 317.433 3.057 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(F)ccc1N1CCOCC1 ZINC000925121729 627710990 /nfs/dbraw/zinc/71/09/90/627710990.db2.gz IRKULNSDFUZYBP-AWEZNQCLSA-N 0 3 319.424 3.080 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000925649730 627769906 /nfs/dbraw/zinc/76/99/06/627769906.db2.gz INKZBOVOXIEQQJ-RDJZCZTQSA-N 0 3 313.445 3.096 20 30 DGEDHN C[C@H]1[C@H](OC(=O)CCCC#N)CCCN1Cc1ccccc1 ZINC000816471459 627794200 /nfs/dbraw/zinc/79/42/00/627794200.db2.gz FWINBIPQUGPQMS-DOTOQJQBSA-N 0 3 300.402 3.277 20 30 DGEDHN Cc1ccc(CN[C@@H](C)CC(C)(C)C#N)c(N2CCCC2)n1 ZINC000926120476 627846943 /nfs/dbraw/zinc/84/69/43/627846943.db2.gz FUCORVUUHZRPQQ-HNNXBMFYSA-N 0 3 300.450 3.408 20 30 DGEDHN Cc1ccc(CN2CC[C@H](N[C@@H](C)CC(C)(C)C#N)C2=O)cc1 ZINC000926275522 627872623 /nfs/dbraw/zinc/87/26/23/627872623.db2.gz PGAAABHANBYQAI-RDJZCZTQSA-N 0 3 313.445 3.014 20 30 DGEDHN CC1(C)C[C@@H](NN=C2CCCCc3ccc(N)cc32)CCO1 ZINC000817327391 627882957 /nfs/dbraw/zinc/88/29/57/627882957.db2.gz HSKQNPXRCQEIIS-HNNXBMFYSA-N 0 3 301.434 3.247 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 ZINC000926385827 627887768 /nfs/dbraw/zinc/88/77/68/627887768.db2.gz XAEJLVBLPORJCG-KBPBESRZSA-N 0 3 322.474 3.459 20 30 DGEDHN CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000926753176 627946609 /nfs/dbraw/zinc/94/66/09/627946609.db2.gz FRTSDRIGDMTTGF-YOEHRIQHSA-N 0 3 301.434 3.036 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000926879891 627968573 /nfs/dbraw/zinc/96/85/73/627968573.db2.gz MJBYZZRCFGTZFL-GJZGRUSLSA-N 0 3 321.465 3.353 20 30 DGEDHN CCC[C@@H](NCCNc1ccc(C#N)cn1)c1cc(C)ccn1 ZINC000927167325 628031244 /nfs/dbraw/zinc/03/12/44/628031244.db2.gz JBECCFCUTZROFY-MRXNPFEDSA-N 0 3 309.417 3.200 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)cc1SCC ZINC000818593101 628040083 /nfs/dbraw/zinc/04/00/83/628040083.db2.gz MDFWRHOSKYXCGY-UHFFFAOYSA-N 0 3 324.877 3.137 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000818595606 628040395 /nfs/dbraw/zinc/04/03/95/628040395.db2.gz DHFIIDOEOMQCTD-MRXNPFEDSA-N 0 3 308.425 3.015 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000818595948 628040770 /nfs/dbraw/zinc/04/07/70/628040770.db2.gz VMMSEGDZBNMDPV-UHFFFAOYSA-N 0 3 323.440 3.043 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)c1c(F)cccc1F ZINC000819271116 628124328 /nfs/dbraw/zinc/12/43/28/628124328.db2.gz NUHZAQXVXIAEFH-DLBZAZTESA-N 0 3 314.335 3.147 20 30 DGEDHN Cc1cc(Br)cnc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000819828325 628194757 /nfs/dbraw/zinc/19/47/57/628194757.db2.gz ZCHVWUPDILXNFQ-JTQLQIEISA-N 0 3 323.238 3.035 20 30 DGEDHN CCCC1(CNCCC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822476693 628455805 /nfs/dbraw/zinc/45/58/05/628455805.db2.gz UDOSMHMZCWKCCN-UHFFFAOYSA-N 0 3 309.454 3.307 20 30 DGEDHN C#C[C@@H](NCc1ccc(OCC=C)c(Cl)c1)C1CCOCC1 ZINC000827569696 628971862 /nfs/dbraw/zinc/97/18/62/628971862.db2.gz DALDPOWTEDCFKD-QGZVFWFLSA-N 0 3 319.832 3.423 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000827630275 628978059 /nfs/dbraw/zinc/97/80/59/628978059.db2.gz VBPIGSOCYMAYNF-UHFFFAOYSA-N 0 3 310.397 3.456 20 30 DGEDHN CC(C)[C@H](NCc1ccc(F)cc1C#N)C1(CO)CC=CC1 ZINC000830531354 629281609 /nfs/dbraw/zinc/28/16/09/629281609.db2.gz MMMVDCWPKYPLKY-KRWDZBQOSA-N 0 3 302.393 3.140 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000831830598 629416939 /nfs/dbraw/zinc/41/69/39/629416939.db2.gz XSXRSKRIHVNMCN-NWDGAFQWSA-N 0 3 300.349 3.036 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)[C@@H](CO)CC(C)(C)C ZINC000832093251 629441774 /nfs/dbraw/zinc/44/17/74/629441774.db2.gz CINBXNWHXQQKIW-OAHLLOKOSA-N 0 3 324.852 3.471 20 30 DGEDHN CN(CC(F)(F)C(F)F)C1CCN(CCC(F)(F)F)CC1 ZINC000832778412 629514171 /nfs/dbraw/zinc/51/41/71/629514171.db2.gz LIZNCRKKVAZFHR-UHFFFAOYSA-N 0 3 324.284 3.235 20 30 DGEDHN CC1(C)OCC[C@@H]1NN=Cc1ccc(N2CCCCC2)cc1 ZINC000835014996 629823651 /nfs/dbraw/zinc/82/36/51/629823651.db2.gz YRTCAFATRNGYBY-KRWDZBQOSA-N 0 3 301.434 3.168 20 30 DGEDHN CC(C)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835340107 629909932 /nfs/dbraw/zinc/90/99/32/629909932.db2.gz JPHQBSIREBJARZ-OAHLLOKOSA-N 0 3 320.820 3.491 20 30 DGEDHN CC(C)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835340106 629910032 /nfs/dbraw/zinc/91/00/32/629910032.db2.gz JPHQBSIREBJARZ-HNNXBMFYSA-N 0 3 320.820 3.491 20 30 DGEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1c(F)cc(C#N)cc1F ZINC000837578133 630278673 /nfs/dbraw/zinc/27/86/73/630278673.db2.gz VTTDWZSJFBFSBH-CYBMUJFWSA-N 0 3 322.355 3.256 20 30 DGEDHN C#CCCOc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000840956685 630385062 /nfs/dbraw/zinc/38/50/62/630385062.db2.gz BWPNFVGZVYNKPO-CTNGQTDRSA-N 0 3 321.420 3.397 20 30 DGEDHN CCOCCON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842530484 630544997 /nfs/dbraw/zinc/54/49/97/630544997.db2.gz URZCPDCTLMZWRQ-UHFFFAOYSA-N 0 3 302.418 3.224 20 30 DGEDHN CCOCOc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000842719759 630567648 /nfs/dbraw/zinc/56/76/48/630567648.db2.gz KUODGZJBIPCCRH-UHFFFAOYSA-N 0 3 310.397 3.415 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000843424415 630656822 /nfs/dbraw/zinc/65/68/22/630656822.db2.gz ZTHMVPKTXMTKEE-MRXNPFEDSA-N 0 3 309.413 3.116 20 30 DGEDHN CC(C)(C)N1CC[C@H]1COC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000845733066 631192510 /nfs/dbraw/zinc/19/25/10/631192510.db2.gz TZLONGNLKPQOHT-INIZCTEOSA-N 0 3 312.413 3.006 20 30 DGEDHN COc1ccc(N2CCC(NCC3(C#N)CCCC3)CC2)cc1 ZINC000846010689 631205736 /nfs/dbraw/zinc/20/57/36/631205736.db2.gz MNRPRIOYGDJKNS-UHFFFAOYSA-N 0 3 313.445 3.338 20 30 DGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCCCC#N ZINC000846794297 631308423 /nfs/dbraw/zinc/30/84/23/631308423.db2.gz YSHZBISULBLAIH-FUHWJXTLSA-N 0 3 311.429 3.213 20 30 DGEDHN C#C[C@H]1CCCN([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000847022700 631383492 /nfs/dbraw/zinc/38/34/92/631383492.db2.gz JFSGRRIHJOVABR-ROUUACIJSA-N 0 3 312.457 3.157 20 30 DGEDHN CC(C)(C)C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847745319 631530980 /nfs/dbraw/zinc/53/09/80/631530980.db2.gz GFZIUEROVPEQRR-UHFFFAOYSA-N 0 3 314.429 3.382 20 30 DGEDHN N#CC1(COC(=O)C2CC=CC2)CCN(Cc2ccccc2)CC1 ZINC000847748783 631531618 /nfs/dbraw/zinc/53/16/18/631531618.db2.gz IHJWBQDBBMNPGY-UHFFFAOYSA-N 0 3 324.424 3.302 20 30 DGEDHN C/C=C(/C)C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847748553 631532112 /nfs/dbraw/zinc/53/21/12/631532112.db2.gz CWGSTFVNTVJUQE-XFQLMFQHSA-N 0 3 312.413 3.302 20 30 DGEDHN COc1cc([N+](=O)[O-])ccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848403852 631654939 /nfs/dbraw/zinc/65/49/39/631654939.db2.gz DLVGVCXLPWHYLY-OAHLLOKOSA-N 0 3 318.377 3.020 20 30 DGEDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCC#N)c1[O-] ZINC000848543507 631686225 /nfs/dbraw/zinc/68/62/25/631686225.db2.gz GNRPJAKJDJNOBQ-SECBINFHSA-N 0 3 313.195 3.118 20 30 DGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000848552271 631689660 /nfs/dbraw/zinc/68/96/60/631689660.db2.gz KDOHOSQYOLFYCQ-IEBWSBKVSA-N 0 3 322.408 3.072 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(OC(=O)CC)c(OCC)c2)C1 ZINC000848924452 631790021 /nfs/dbraw/zinc/79/00/21/631790021.db2.gz SQKKJHDWQVCNMT-HNNXBMFYSA-N 0 3 315.413 3.246 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCC2CC(OC)C2)c([O-])c1 ZINC000849169141 631851644 /nfs/dbraw/zinc/85/16/44/631851644.db2.gz BFRHVQJEKQBHDI-CPNJWEJPSA-N 0 3 304.434 3.472 20 30 DGEDHN COC[C@H](C)Oc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000850033147 632033977 /nfs/dbraw/zinc/03/39/77/632033977.db2.gz NQNGGWNIQQRMER-HNNXBMFYSA-N 0 3 310.397 3.262 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850370309 632128761 /nfs/dbraw/zinc/12/87/61/632128761.db2.gz CXYPBRVPEIJSDN-WOJBJXKFSA-N 0 3 307.393 3.357 20 30 DGEDHN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850584829 632202061 /nfs/dbraw/zinc/20/20/61/632202061.db2.gz SXSABXLLYQSWSP-QMTMVMCOSA-N 0 3 310.397 3.362 20 30 DGEDHN N#CC(C(=O)CC1(C#N)CCCCC1)C(=O)Nc1ccccc1 ZINC000850759271 632216785 /nfs/dbraw/zinc/21/67/85/632216785.db2.gz HMUHAUBNFLLIAG-OAHLLOKOSA-N 0 3 309.369 3.198 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850977756 632275377 /nfs/dbraw/zinc/27/53/77/632275377.db2.gz DCYPLKXDDNEFIX-KRWDZBQOSA-N 0 3 324.424 3.324 20 30 DGEDHN C[C@H](CC#N)C(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000851054569 632297537 /nfs/dbraw/zinc/29/75/37/632297537.db2.gz PROXDBMYRBHBOE-HLLBOEOZSA-N 0 3 300.402 3.132 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000852097346 632553307 /nfs/dbraw/zinc/55/33/07/632553307.db2.gz OUTQTPAFFDGKSE-MGPUTAFESA-N 0 3 308.425 3.409 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000852101666 632555320 /nfs/dbraw/zinc/55/53/20/632555320.db2.gz GFJHUSMZYLBMIQ-WBVHZDCISA-N 0 3 306.475 3.343 20 30 DGEDHN CC(C)(NCc1ccc(OCC#N)cc1)c1cccc(C#N)c1 ZINC000852354449 632594694 /nfs/dbraw/zinc/59/46/94/632594694.db2.gz PQOFZQJVPNNQLP-UHFFFAOYSA-N 0 3 305.381 3.486 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@@H](C)C1 ZINC000943500803 660190449 /nfs/dbraw/zinc/19/04/49/660190449.db2.gz ZOIUEAPVMKGVFD-OXJNMPFZSA-N 0 3 322.452 3.110 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@H](C)C1 ZINC000943702626 660197067 /nfs/dbraw/zinc/19/70/67/660197067.db2.gz PXIOAFMIZMGHFL-RHSMWYFYSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](C)C1 ZINC000943817115 660201293 /nfs/dbraw/zinc/20/12/93/660201293.db2.gz QZMPDUGKDSLNQC-YOEHRIQHSA-N 0 3 316.445 3.175 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000943988888 660206042 /nfs/dbraw/zinc/20/60/42/660206042.db2.gz 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C=CCN1CC[C@H](N(C)C(=O)Cc2cccc3sccc32)C1 ZINC001033467673 660625841 /nfs/dbraw/zinc/62/58/41/660625841.db2.gz PPBNIYJLGOLCKT-HNNXBMFYSA-N 0 3 314.454 3.163 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033582839 660633891 /nfs/dbraw/zinc/63/38/91/660633891.db2.gz LKYGCJLCODLMOS-LSDHHAIUSA-N 0 3 306.475 3.269 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001033586298 660634852 /nfs/dbraw/zinc/63/48/52/660634852.db2.gz USAIDXXWYAHVPO-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001033609952 660638857 /nfs/dbraw/zinc/63/88/57/660638857.db2.gz RCXOSYIXJNSYBX-GOSISDBHSA-N 0 3 312.457 3.154 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc3ccccc32)C1 ZINC001033610164 660639057 /nfs/dbraw/zinc/63/90/57/660639057.db2.gz UBEKDPQDGQMKQA-GOSISDBHSA-N 0 3 308.425 3.101 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C3CCCCC3)CC2)C1 ZINC001033623154 660640942 /nfs/dbraw/zinc/64/09/42/660640942.db2.gz 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/nfs/dbraw/zinc/64/91/12/660649112.db2.gz KWVWFHIYQSDGAT-ZFWWWQNUSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001033696076 660650961 /nfs/dbraw/zinc/65/09/61/660650961.db2.gz PHKQAHBKGDJVPZ-VNCLNFNDSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001033690926 660651304 /nfs/dbraw/zinc/65/13/04/660651304.db2.gz JANFFSSCEDFIOT-VQIMIIECSA-N 0 3 312.457 3.370 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001033691645 660651961 /nfs/dbraw/zinc/65/19/61/660651961.db2.gz AGRVAIWJXGMBBX-ICSRJNTNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2C)C1 ZINC001033706451 660652762 /nfs/dbraw/zinc/65/27/62/660652762.db2.gz GMBUCUKYHYXTDY-KRWDZBQOSA-N 0 3 314.473 3.381 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2nc(C(C)C)oc2C)CC1 ZINC001005385784 660666952 /nfs/dbraw/zinc/66/69/52/660666952.db2.gz XEZDGOJGTZFVHM-UHFFFAOYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033890481 660674856 /nfs/dbraw/zinc/67/48/56/660674856.db2.gz PKUWRRDHPLQWCB-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033908506 660677717 /nfs/dbraw/zinc/67/77/17/660677717.db2.gz TVTYQCHPHXJDTK-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001033985850 660689761 /nfs/dbraw/zinc/68/97/61/660689761.db2.gz RKXWOMWFOUZXSC-HXUWFJFHSA-N 0 3 322.452 3.206 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2scnc2C2CC2)C1 ZINC001033980637 660689931 /nfs/dbraw/zinc/68/99/31/660689931.db2.gz WJEGVJKTZRVGQG-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3ccccc3n2)C1 ZINC001034026961 660695385 /nfs/dbraw/zinc/69/53/85/660695385.db2.gz ZIDRCPQSMJLEPB-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc3sccc3[nH]2)C1 ZINC001034008075 660695576 /nfs/dbraw/zinc/69/55/76/660695576.db2.gz YRXQECFZQVHYQA-CYBMUJFWSA-N 0 3 317.458 3.342 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3ccccc3c2)C1 ZINC001034022936 660698484 /nfs/dbraw/zinc/69/84/84/660698484.db2.gz JAKUEXFYFSXGJH-FQEVSTJZSA-N 0 3 320.436 3.400 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3ccccc3c2)C1 ZINC001034022938 660698497 /nfs/dbraw/zinc/69/84/97/660698497.db2.gz JAKUEXFYFSXGJH-HXUWFJFHSA-N 0 3 320.436 3.400 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cnc(C(C)C)s2)C1 ZINC001034057209 660700065 /nfs/dbraw/zinc/70/00/65/660700065.db2.gz SKEYVXVOQWFMSF-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001034047860 660701319 /nfs/dbraw/zinc/70/13/19/660701319.db2.gz LZLKLYLSPPSBOT-MRXNPFEDSA-N 0 3 323.440 3.036 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034049567 660702092 /nfs/dbraw/zinc/70/20/92/660702092.db2.gz AVOZTSXQBSZJMC-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034029525 660696004 /nfs/dbraw/zinc/69/60/04/660696004.db2.gz RJKVDMRMKIDEBT-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034031871 660696685 /nfs/dbraw/zinc/69/66/85/660696685.db2.gz HXJGBTYPEJPMQN-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001034226904 660725257 /nfs/dbraw/zinc/72/52/57/660725257.db2.gz VKKUKHNJXNVGGQ-QGZVFWFLSA-N 0 3 316.445 3.082 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001034249321 660727826 /nfs/dbraw/zinc/72/78/26/660727826.db2.gz JZUMHWCNQWYHQL-QGZVFWFLSA-N 0 3 315.461 3.365 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2nccc3ccsc32)CC1 ZINC001005532617 660730149 /nfs/dbraw/zinc/73/01/49/660730149.db2.gz LONBMUSAOHEQKU-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001034282338 660732388 /nfs/dbraw/zinc/73/23/88/660732388.db2.gz OHRAYDBNVDYXMW-AWEZNQCLSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001034304922 660734648 /nfs/dbraw/zinc/73/46/48/660734648.db2.gz VNAVGXFUDSVKIH-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001034312290 660735696 /nfs/dbraw/zinc/73/56/96/660735696.db2.gz PBQKBPBMPIVYNC-WMZOPIPTSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001034369815 660742369 /nfs/dbraw/zinc/74/23/69/660742369.db2.gz VKAYYHFSXDLQOR-HNNXBMFYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001034360907 660744093 /nfs/dbraw/zinc/74/40/93/660744093.db2.gz LJMCIZHCDQKBHT-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034424815 660748294 /nfs/dbraw/zinc/74/82/94/660748294.db2.gz QEIZAMGLNYMQRA-QGZVFWFLSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001034448262 660752681 /nfs/dbraw/zinc/75/26/81/660752681.db2.gz MNDMZESIAASNLV-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001034413795 660750411 /nfs/dbraw/zinc/75/04/11/660750411.db2.gz QEDWDCLRNPITEV-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001034414803 660750768 /nfs/dbraw/zinc/75/07/68/660750768.db2.gz DTXBNUPGBIBBDL-ZDUSSCGKSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001034434711 660753987 /nfs/dbraw/zinc/75/39/87/660753987.db2.gz CEMCSMFPLCNIFR-ARFHVFGLSA-N 0 3 318.486 3.317 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001034460334 660756353 /nfs/dbraw/zinc/75/63/53/660756353.db2.gz YTIMZSAXXBJMBJ-SFHVURJKSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001034497195 660760482 /nfs/dbraw/zinc/76/04/82/660760482.db2.gz PSKQGGUTGZHWAO-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001034503391 660762595 /nfs/dbraw/zinc/76/25/95/660762595.db2.gz ZHQIJCNRCJUJOB-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001034509902 660764213 /nfs/dbraw/zinc/76/42/13/660764213.db2.gz QSNJKSBJZJGLFQ-LBPRGKRZSA-N 0 3 312.360 3.378 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001034511906 660764627 /nfs/dbraw/zinc/76/46/27/660764627.db2.gz FPKGJTPQVQOQIO-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001034511792 660764748 /nfs/dbraw/zinc/76/47/48/660764748.db2.gz MMWYNMCHXWBDKC-INIZCTEOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001034524857 660766845 /nfs/dbraw/zinc/76/68/45/660766845.db2.gz VMNVGAGNTIEXFN-AWEZNQCLSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001034540549 660770673 /nfs/dbraw/zinc/77/06/73/660770673.db2.gz IIJBWYSABGDKTA-ZWKOTPCHSA-N 0 3 317.477 3.213 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2(C)CCC(F)(F)CC2)CC1 ZINC001005605529 660782625 /nfs/dbraw/zinc/78/26/25/660782625.db2.gz KGBKEQUIOHKXOB-UHFFFAOYSA-N 0 3 314.420 3.311 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC000947963698 660788017 /nfs/dbraw/zinc/78/80/17/660788017.db2.gz XNJNOJDBSIUEOY-CRAIPNDOSA-N 0 3 312.457 3.200 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC001005711808 660792442 /nfs/dbraw/zinc/79/24/42/660792442.db2.gz RKIUFSKJYGEHBE-LJQANCHMSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cnc3ccccc3c2C)CC1 ZINC001005723708 660794252 /nfs/dbraw/zinc/79/42/52/660794252.db2.gz VDXAZJGVHXPJBY-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC3(CCN(C/C=C\Cl)C3)CC2)C1 ZINC001035226113 660829021 /nfs/dbraw/zinc/82/90/21/660829021.db2.gz HJRXSARMMZGOKF-CLTKARDFSA-N 0 3 322.880 3.410 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C=C1CCCCC1)CC2 ZINC001035664169 660842611 /nfs/dbraw/zinc/84/26/11/660842611.db2.gz TURHVKGZDNQZRD-UHFFFAOYSA-N 0 3 302.462 3.377 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)CC2 ZINC001035708332 660846212 /nfs/dbraw/zinc/84/62/12/660846212.db2.gz VKSXXRCSPJWDSJ-JKSUJKDBSA-N 0 3 308.441 3.015 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)cc1C)CC2 ZINC001035846520 660855721 /nfs/dbraw/zinc/85/57/21/660855721.db2.gz DLAPKRGOJFTPGT-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cscn2)[C@H](C)C1 ZINC001036141755 660877616 /nfs/dbraw/zinc/87/76/16/660877616.db2.gz ILHAALIDPHHPLK-HIFRSBDPSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cscn2)[C@@H](C)C1 ZINC001036141759 660877690 /nfs/dbraw/zinc/87/76/90/660877690.db2.gz ILHAALIDPHHPLK-ZFWWWQNUSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3ncccc3s2)CC1 ZINC001005815436 660940381 /nfs/dbraw/zinc/94/03/81/660940381.db2.gz PNMIYNBIPSQCNG-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)cc2OC)CC1 ZINC001005892389 660947517 /nfs/dbraw/zinc/94/75/17/660947517.db2.gz NMFJPAXDVDWOLW-UHFFFAOYSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2c(C)cccc2Cl)CC1 ZINC001005932994 660951248 /nfs/dbraw/zinc/95/12/48/660951248.db2.gz BBNKNRJGLCYZBL-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C(C)C)nc2C)CC1 ZINC001006005800 660956380 /nfs/dbraw/zinc/95/63/80/660956380.db2.gz ZUFUIPODOGFQMM-UHFFFAOYSA-N 0 3 315.461 3.236 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)C[C@@H]1C ZINC000947974949 660957770 /nfs/dbraw/zinc/95/77/70/660957770.db2.gz JELXSMJBBCLBQF-FUHWJXTLSA-N 0 3 316.489 3.339 20 30 DGEDHN CCCCCCCC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000794341958 661079542 /nfs/dbraw/zinc/07/95/42/661079542.db2.gz BNGQTOWXFWRQTJ-UHFFFAOYSA-N 0 3 319.449 3.099 20 30 DGEDHN CC1(C)CCC(=NNC2=N[C@@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000794857695 661109693 /nfs/dbraw/zinc/10/96/93/661109693.db2.gz LRZDCAZKYMRSIV-CALCHBBNSA-N 0 3 310.445 3.322 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nc2C)C[C@@H]1C ZINC000947365619 655525025 /nfs/dbraw/zinc/52/50/25/655525025.db2.gz PWEIWPKOXMYJQG-YOEHRIQHSA-N 0 3 323.440 3.312 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001020395587 655525738 /nfs/dbraw/zinc/52/57/38/655525738.db2.gz PECRDTRMTAYONE-HDJSIYSDSA-N 0 3 313.228 3.251 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000969141942 655527665 /nfs/dbraw/zinc/52/76/65/655527665.db2.gz PTBTWWLEPHQCQJ-HXUWFJFHSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1c(C)onc1CC ZINC000969142211 655528055 /nfs/dbraw/zinc/52/80/55/655528055.db2.gz YTHKQSOLQQVZQO-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC000969150257 655528147 /nfs/dbraw/zinc/52/81/47/655528147.db2.gz GLXCYBQALSBWRN-HNNXBMFYSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC000969160831 655529814 /nfs/dbraw/zinc/52/98/14/655529814.db2.gz MEDULAAKAOLBIJ-QGZVFWFLSA-N 0 3 304.409 3.317 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001020538015 655546661 /nfs/dbraw/zinc/54/66/61/655546661.db2.gz RKPHQIGGOVBEGS-MGCOHNPYSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC000969737850 655556398 /nfs/dbraw/zinc/55/63/98/655556398.db2.gz KACLOUNDDUXCPU-OAHLLOKOSA-N 0 3 312.457 3.192 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000969831391 655559178 /nfs/dbraw/zinc/55/91/78/655559178.db2.gz GBNHCDJMJMJCLE-APWZRJJASA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000969969613 655565828 /nfs/dbraw/zinc/56/58/28/655565828.db2.gz OKTIPDBZWWPWOG-DNVCBOLYSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2F)C1 ZINC000970092083 655574111 /nfs/dbraw/zinc/57/41/11/655574111.db2.gz LFYRFYKIWDEXPS-NSHDSACASA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC001039115641 655580751 /nfs/dbraw/zinc/58/07/51/655580751.db2.gz ATBSNGBOASYWOJ-QGZVFWFLSA-N 0 3 322.880 3.266 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001020925704 655581915 /nfs/dbraw/zinc/58/19/15/655581915.db2.gz WMXHUFHTMGWQLX-HAQNSBGRSA-N 0 3 310.850 3.228 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001020932301 655582287 /nfs/dbraw/zinc/58/22/87/655582287.db2.gz BHPPAMMGLGMMJX-JOCQHMNTSA-N 0 3 310.825 3.007 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)c3cccnc23)C1 ZINC000970180207 655587177 /nfs/dbraw/zinc/58/71/77/655587177.db2.gz SRRBFADTCJYVJY-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001021081646 655589339 /nfs/dbraw/zinc/58/93/39/655589339.db2.gz FIQNQGHZAJPVDF-RBSFLKMASA-N 0 3 306.837 3.088 20 30 DGEDHN C=CCOCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000795632245 661164146 /nfs/dbraw/zinc/16/41/46/661164146.db2.gz VOUZJBVRYVKBJX-UHFFFAOYSA-N 0 3 303.402 3.032 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000970479887 655601983 /nfs/dbraw/zinc/60/19/83/655601983.db2.gz KATZGDIKORMNIX-DZJNRPSUSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC000970558945 655606231 /nfs/dbraw/zinc/60/62/31/655606231.db2.gz TXTHZKRTAJFMLG-FVQBIDKESA-N 0 3 318.486 3.173 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC001039205785 655613867 /nfs/dbraw/zinc/61/38/67/655613867.db2.gz ACGQCRQQPRBSQZ-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC2(C)CCCC2)C1 ZINC001039222031 655625334 /nfs/dbraw/zinc/62/53/34/655625334.db2.gz YZVGEJCIFVZNED-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCCCC2)C1 ZINC001021541117 655626584 /nfs/dbraw/zinc/62/65/84/655626584.db2.gz JQWFDLNBVVZSHK-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)nc3ccccc32)C1 ZINC000970838364 655628602 /nfs/dbraw/zinc/62/86/02/655628602.db2.gz KLROJSNVZQMREH-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2C(C)(C)C2(C)C)C1 ZINC001021554100 655630111 /nfs/dbraw/zinc/63/01/11/655630111.db2.gz HPZFREXAQCFCGM-HZPDHXFCSA-N 0 3 316.489 3.005 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CC(c3ccccc3)C2)C1 ZINC000970961264 655643798 /nfs/dbraw/zinc/64/37/98/655643798.db2.gz ASDBCGUJEYOHCA-ZLPCBKJTSA-N 0 3 312.457 3.193 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2(C)CCCCC2)C1 ZINC001021629715 655645481 /nfs/dbraw/zinc/64/54/81/655645481.db2.gz INWULTCBPUMDBN-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947424272 655649308 /nfs/dbraw/zinc/64/93/08/655649308.db2.gz AQMKWXVFPDPMQH-NWDGAFQWSA-N 0 3 310.850 3.008 20 30 DGEDHN C=Cc1ccc(C(=O)N2CCC[C@@H]3CN(CC#CC)CC[C@H]32)cc1 ZINC001021675335 655654319 /nfs/dbraw/zinc/65/43/19/655654319.db2.gz XAOCQUWGRCGVOJ-WOJBJXKFSA-N 0 3 322.452 3.279 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C)c2C)C1 ZINC001021726024 655664485 /nfs/dbraw/zinc/66/44/85/655664485.db2.gz YBDYUQFZNGQKLS-AZUAARDMSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(CC)cc2)C1 ZINC001021724216 655664619 /nfs/dbraw/zinc/66/46/19/655664619.db2.gz KIOZODPXNKLQOL-WOJBJXKFSA-N 0 3 324.468 3.199 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C)c(C)c2)C1 ZINC001021728622 655664935 /nfs/dbraw/zinc/66/49/35/655664935.db2.gz VBQJVWKNGWXVOA-PMACEKPBSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C)c(C)c2)C1 ZINC001021728629 655665140 /nfs/dbraw/zinc/66/51/40/655665140.db2.gz VBQJVWKNGWXVOA-VQTJNVASSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C3CC3)c2)C1 ZINC001021739409 655668298 /nfs/dbraw/zinc/66/82/98/655668298.db2.gz JFVBIRFDDSIOQD-VQTJNVASSA-N 0 3 322.452 3.124 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(CC=C)[C@@H](C)C1 ZINC000947458150 655711292 /nfs/dbraw/zinc/71/12/92/655711292.db2.gz FIEQLQVQGFTWGG-JKSUJKDBSA-N 0 3 314.429 3.020 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2CCCC#N ZINC000933499295 655716630 /nfs/dbraw/zinc/71/66/30/655716630.db2.gz ULDLDUHLEYLHDX-YOEHRIQHSA-N 0 3 307.438 3.059 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)C2CCOCC2)c([O-])c1 ZINC000255374960 655720752 /nfs/dbraw/zinc/72/07/52/655720752.db2.gz LIGWMZYGTNFIQO-RMENWYJGSA-N 0 3 304.434 3.472 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000971693390 655721789 /nfs/dbraw/zinc/72/17/89/655721789.db2.gz OXMIDFULVAPZAL-GOSISDBHSA-N 0 3 312.457 3.118 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC000971746835 655724267 /nfs/dbraw/zinc/72/42/67/655724267.db2.gz RLOQGLJSTDDXPT-KRWDZBQOSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)c(F)ccc2Cl)C1 ZINC000971822633 655731369 /nfs/dbraw/zinc/73/13/69/655731369.db2.gz XTHBYNHIWPYWBQ-LBPRGKRZSA-N 0 3 310.800 3.120 20 30 DGEDHN CO[C@H](Cc1ccccc1)CN(C)Cc1cc(C#N)cs1 ZINC000933772278 655732392 /nfs/dbraw/zinc/73/23/92/655732392.db2.gz OCXDGPTZBAJSKB-MRXNPFEDSA-N 0 3 300.427 3.309 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001022433515 655738193 /nfs/dbraw/zinc/73/81/93/655738193.db2.gz PECRDTRMTAYONE-OKILXGFUSA-N 0 3 313.228 3.251 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000971883954 655741820 /nfs/dbraw/zinc/74/18/20/655741820.db2.gz CMINHXGBIVREAX-AWEZNQCLSA-N 0 3 318.417 3.373 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001022508935 655746457 /nfs/dbraw/zinc/74/64/57/655746457.db2.gz FOHSFMOJZAVXQT-OKILXGFUSA-N 0 3 317.820 3.079 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000972073503 655761984 /nfs/dbraw/zinc/76/19/84/655761984.db2.gz SMGAGJRHYSMOGJ-KRWDZBQOSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000972080220 655763074 /nfs/dbraw/zinc/76/30/74/655763074.db2.gz STURXFWUFGECNY-OAHLLOKOSA-N 0 3 306.475 3.301 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC000972082626 655763420 /nfs/dbraw/zinc/76/34/20/655763420.db2.gz PILCOCMAYZESFH-KRWDZBQOSA-N 0 3 318.436 3.401 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000949631884 655774413 /nfs/dbraw/zinc/77/44/13/655774413.db2.gz VZZIDBVWJIAZON-ZACQAIPSSA-N 0 3 304.478 3.169 20 30 DGEDHN CCC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972208508 655778880 /nfs/dbraw/zinc/77/88/80/655778880.db2.gz BRSUBOZURGQDAV-QGZVFWFLSA-N 0 3 313.445 3.027 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001022834794 655792704 /nfs/dbraw/zinc/79/27/04/655792704.db2.gz LMJUNFXJJQZMJQ-HPFXQQBRSA-N 0 3 318.848 3.170 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001022857145 655793807 /nfs/dbraw/zinc/79/38/07/655793807.db2.gz CVCUNLOFXRLQKV-RRQGHBQHSA-N 0 3 320.864 3.342 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C[C@H]1C ZINC000947520605 655799328 /nfs/dbraw/zinc/79/93/28/655799328.db2.gz PUNFOWAFCLGIAC-YPMHNXCESA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001022980000 655806668 /nfs/dbraw/zinc/80/66/68/655806668.db2.gz BHPPAMMGLGMMJX-BETUJISGSA-N 0 3 310.825 3.007 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC000972489967 655806757 /nfs/dbraw/zinc/80/67/57/655806757.db2.gz UNTFFGBYLLGUBJ-MOPGFXCFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001023104248 655813006 /nfs/dbraw/zinc/81/30/06/655813006.db2.gz FURQCAPVCONNDB-OKILXGFUSA-N 0 3 310.800 3.045 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001023123134 655813985 /nfs/dbraw/zinc/81/39/85/655813985.db2.gz QLHDLDLVRDYCSE-TXEJJXNPSA-N 0 3 312.866 3.474 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001023147189 655814819 /nfs/dbraw/zinc/81/48/19/655814819.db2.gz DXSKXHVOBFFWPU-ZPVISIIKSA-N 0 3 310.869 3.192 20 30 DGEDHN Cc1cccc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000127900547 655815145 /nfs/dbraw/zinc/81/51/45/655815145.db2.gz GVLIQPYBWIAXEC-PBHICJAKSA-N 0 3 322.364 3.110 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2F)C1 ZINC000972556475 655830000 /nfs/dbraw/zinc/83/00/00/655830000.db2.gz XDURCTGKZVNVCD-LSDHHAIUSA-N 0 3 304.409 3.038 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001023492052 655837603 /nfs/dbraw/zinc/83/76/03/655837603.db2.gz XKQODKQUJWDMFF-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC000972601604 655846676 /nfs/dbraw/zinc/84/66/76/655846676.db2.gz JMDQSXMCFJDZSS-YLJYHZDGSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001023621103 655849894 /nfs/dbraw/zinc/84/98/94/655849894.db2.gz HFDWHZBTROMVEN-CYBMUJFWSA-N 0 3 316.376 3.200 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC001023727877 655858063 /nfs/dbraw/zinc/85/80/63/655858063.db2.gz WFUBKCNOVRLALF-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001023759864 655862386 /nfs/dbraw/zinc/86/23/86/655862386.db2.gz LYVIFSYWVCHCJB-CQSZACIVSA-N 0 3 318.486 3.121 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC000972686432 655865209 /nfs/dbraw/zinc/86/52/09/655865209.db2.gz CYGHMRCAOCMWCO-GOSISDBHSA-N 0 3 314.473 3.245 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000972784676 655882209 /nfs/dbraw/zinc/88/22/09/655882209.db2.gz CBGPIQKUPPMMLJ-KRWDZBQOSA-N 0 3 300.446 3.316 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001024359129 655902427 /nfs/dbraw/zinc/90/24/27/655902427.db2.gz PMYSFWCZZCENKT-CQSZACIVSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1sccc1F ZINC001024428149 655905265 /nfs/dbraw/zinc/90/52/65/655905265.db2.gz XRMAITZYYAARCV-ZDUSSCGKSA-N 0 3 310.438 3.438 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001024464516 655907920 /nfs/dbraw/zinc/90/79/20/655907920.db2.gz XPKJINITIYJUKN-JKSUJKDBSA-N 0 3 318.465 3.015 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001024489809 655910068 /nfs/dbraw/zinc/91/00/68/655910068.db2.gz DZXMWMHGNYUPOC-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc(COC)cs1 ZINC001024534045 655914133 /nfs/dbraw/zinc/91/41/33/655914133.db2.gz DFJJJBUEJSEDON-HNNXBMFYSA-N 0 3 322.474 3.055 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001024536090 655914237 /nfs/dbraw/zinc/91/42/37/655914237.db2.gz HHNOUMFYVDMUAB-OAHLLOKOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001024542603 655915283 /nfs/dbraw/zinc/91/52/83/655915283.db2.gz YQEXEXLELIZVOA-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001024616451 655924470 /nfs/dbraw/zinc/92/44/70/655924470.db2.gz VVWSJRASVYLJQA-OAHLLOKOSA-N 0 3 303.450 3.299 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001024632823 655926404 /nfs/dbraw/zinc/92/64/04/655926404.db2.gz CCPGBQGPUAPCFC-MRXNPFEDSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3scnc32)C[C@H]1C ZINC000947307143 655933364 /nfs/dbraw/zinc/93/33/64/655933364.db2.gz WGZYKOMXEXTKLE-CHWSQXEVSA-N 0 3 315.442 3.065 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001024736479 655933751 /nfs/dbraw/zinc/93/37/51/655933751.db2.gz AYFAWPBRAXQHHI-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1sccc1COC ZINC001024758649 655936205 /nfs/dbraw/zinc/93/62/05/655936205.db2.gz VVWSWUDNHWFGJT-HNNXBMFYSA-N 0 3 322.474 3.055 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789687 655939597 /nfs/dbraw/zinc/93/95/97/655939597.db2.gz YITFVKRDMPKSBO-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001024826264 655943289 /nfs/dbraw/zinc/94/32/89/655943289.db2.gz PNTXDSWAAYSIAH-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CC(c2ccccc2)C1 ZINC001024822258 655943427 /nfs/dbraw/zinc/94/34/27/655943427.db2.gz ZZPDXUHOPUDFHB-SOAGJPPSSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001024829173 655943598 /nfs/dbraw/zinc/94/35/98/655943598.db2.gz XHOCJTIYPCQCQZ-CQSZACIVSA-N 0 3 315.392 3.077 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947652320 655951341 /nfs/dbraw/zinc/95/13/41/655951341.db2.gz AOLWPGVQUDRUAM-CABCVRRESA-N 0 3 302.418 3.009 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cccnc1 ZINC001025038484 655958111 /nfs/dbraw/zinc/95/81/11/655958111.db2.gz YSHOCDYVUGXEEX-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001025039777 655958417 /nfs/dbraw/zinc/95/84/17/655958417.db2.gz XVWJTZAXPOQLDX-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cnc(C)s1 ZINC001025041190 655958595 /nfs/dbraw/zinc/95/85/95/655958595.db2.gz VNZREKBSRBVSTE-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001025069832 655963800 /nfs/dbraw/zinc/96/38/00/655963800.db2.gz QGEVVTLZVWTOCH-WMLDXEAASA-N 0 3 321.490 3.216 20 30 DGEDHN N#CC(C(=O)C=CSc1ccccc1)C(=O)Nc1ccccn1 ZINC000255905179 655963901 /nfs/dbraw/zinc/96/39/01/655963901.db2.gz WMQGTOXTVBTICZ-RBJHHQRMSA-N 0 3 323.377 3.035 20 30 DGEDHN N#CC(C(=O)C=CSc1ccccc1)C(=O)Nc1ccccn1 ZINC000255905178 655963964 /nfs/dbraw/zinc/96/39/64/655963964.db2.gz WMQGTOXTVBTICZ-FPAJZGIOSA-N 0 3 323.377 3.035 20 30 DGEDHN C#CCSCCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000181093411 655972296 /nfs/dbraw/zinc/97/22/96/655972296.db2.gz RCVWMOFNWCEDRL-LLVKDONJSA-N 0 3 313.850 3.374 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025197131 655977233 /nfs/dbraw/zinc/97/72/33/655977233.db2.gz GRIQNCBHITWYLI-DLBZAZTESA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(CC)CC ZINC001025204465 655977792 /nfs/dbraw/zinc/97/77/92/655977792.db2.gz OWETYYXNVFVEEZ-ZWKOTPCHSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201281 655978097 /nfs/dbraw/zinc/97/80/97/655978097.db2.gz KXXZHFRZMZNKOK-SJORKVTESA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C ZINC001025202551 655978389 /nfs/dbraw/zinc/97/83/89/655978389.db2.gz ZBHWFRMGABCEBS-HZPDHXFCSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001025215276 655979875 /nfs/dbraw/zinc/97/98/75/655979875.db2.gz LCRHBJBBNDLGRW-HZPDHXFCSA-N 0 3 316.489 3.147 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ncccc1C ZINC001025219865 655980216 /nfs/dbraw/zinc/98/02/16/655980216.db2.gz AFWQNXZTCXNACK-SJORKVTESA-N 0 3 313.445 3.035 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC001025218483 655980698 /nfs/dbraw/zinc/98/06/98/655980698.db2.gz NJDOKAVKLGXAKT-RBUKOAKNSA-N 0 3 314.473 3.356 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C2CC2)CC1 ZINC001025242133 655983813 /nfs/dbraw/zinc/98/38/13/655983813.db2.gz GTLYVZLGWKHDCP-MSOLQXFVSA-N 0 3 314.473 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001025243131 655984246 /nfs/dbraw/zinc/98/42/46/655984246.db2.gz ALPVSNHKUYJWKM-CVEARBPZSA-N 0 3 308.441 3.300 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1CC ZINC001025261123 655986533 /nfs/dbraw/zinc/98/65/33/655986533.db2.gz UCFRMHZHKJFCPM-VQTJNVASSA-N 0 3 324.468 3.341 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC2(CCC2)C1 ZINC001025261430 655986841 /nfs/dbraw/zinc/98/68/41/655986841.db2.gz VSGGYTJDVPPUPB-QZTJIDSGSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)CC1 ZINC001025292662 655989453 /nfs/dbraw/zinc/98/94/53/655989453.db2.gz LEHFJJBYVYOTLJ-CADBVGFASA-N 0 3 316.489 3.291 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccsc1 ZINC000122227979 655997931 /nfs/dbraw/zinc/99/79/31/655997931.db2.gz DLVQBBMGGDEAGI-ZDUSSCGKSA-N 0 3 309.394 3.444 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccsc1 ZINC000122228184 655998047 /nfs/dbraw/zinc/99/80/47/655998047.db2.gz DLVQBBMGGDEAGI-CYBMUJFWSA-N 0 3 309.394 3.444 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2nccc3ccccc32)C[C@H]1C ZINC000947666777 656009565 /nfs/dbraw/zinc/00/95/65/656009565.db2.gz KNJJVPWOTVFINZ-GDBMZVCRSA-N 0 3 309.413 3.004 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2csc(C)c2C)C1 ZINC001025427662 656010809 /nfs/dbraw/zinc/01/08/09/656010809.db2.gz GUUVWPQUTSUVMF-HOCLYGCPSA-N 0 3 318.486 3.219 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCN(CC#CC)C2)cc1 ZINC001025536285 656031578 /nfs/dbraw/zinc/03/15/78/656031578.db2.gz VLHSGEJYRDLMGQ-APWZRJJASA-N 0 3 310.441 3.183 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC001025540766 656032533 /nfs/dbraw/zinc/03/25/33/656032533.db2.gz ZEZACYYHPZXJBR-MSOLQXFVSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001025592306 656041114 /nfs/dbraw/zinc/04/11/14/656041114.db2.gz NNVMDSIMWXESLT-OXQOHEQNSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2oc(CC)cc2C)C1 ZINC001025595432 656041647 /nfs/dbraw/zinc/04/16/47/656041647.db2.gz ODXAXCKCEBDEMI-JKSUJKDBSA-N 0 3 316.445 3.004 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025602551 656043888 /nfs/dbraw/zinc/04/38/88/656043888.db2.gz IIDQQENTMHTJNN-TVFCKZIOSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C(F)F)o2)C1 ZINC001025606493 656045179 /nfs/dbraw/zinc/04/51/79/656045179.db2.gz OJLXNOAHQOVHRG-CHWSQXEVSA-N 0 3 324.371 3.071 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001025611396 656046471 /nfs/dbraw/zinc/04/64/71/656046471.db2.gz KNJJADZOMJVFBK-JXFKEZNVSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C2CCC2)C1 ZINC001025607333 656046569 /nfs/dbraw/zinc/04/65/69/656046569.db2.gz SXFXRPNRAAAGGD-AEFFLSMTSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001025629370 656051279 /nfs/dbraw/zinc/05/12/79/656051279.db2.gz GGPRTFSKFKOGQN-HZPDHXFCSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001025629369 656051350 /nfs/dbraw/zinc/05/13/50/656051350.db2.gz GGPRTFSKFKOGQN-HOTGVXAUSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C(C)C)s2)C1 ZINC001025634107 656053458 /nfs/dbraw/zinc/05/34/58/656053458.db2.gz ZKIDOGOSHQEFQO-HUUCEWRRSA-N 0 3 318.486 3.335 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2coc3ccccc23)C1 ZINC001025636648 656053911 /nfs/dbraw/zinc/05/39/11/656053911.db2.gz BFAWSZGWQGUJSS-JKSUJKDBSA-N 0 3 324.424 3.286 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001008401456 656154116 /nfs/dbraw/zinc/15/41/16/656154116.db2.gz VYXIPCBEJJHVAU-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000947690206 656178249 /nfs/dbraw/zinc/17/82/49/656178249.db2.gz RXVCWRQTMQKLSU-HOCLYGCPSA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2nc(C(C)C)oc2C)C(C)(C)C1 ZINC000974580473 656215722 /nfs/dbraw/zinc/21/57/22/656215722.db2.gz YDQQZTMUFXCFPD-AWEZNQCLSA-N 0 3 319.449 3.123 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001008660776 656221407 /nfs/dbraw/zinc/22/14/07/656221407.db2.gz RNRYAJFHAFZARL-GFCCVEGCSA-N 0 3 310.800 3.249 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2coc3c2cccc3C)C(C)(C)C1 ZINC000974678202 656221744 /nfs/dbraw/zinc/22/17/44/656221744.db2.gz AGVGIZXILGOLNP-QGZVFWFLSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C2CCCC2)C(C)(C)C1 ZINC000974703479 656223210 /nfs/dbraw/zinc/22/32/10/656223210.db2.gz VNFDMSZPRYHQCN-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)sc2C)C(C)(C)C1 ZINC000974778544 656228956 /nfs/dbraw/zinc/22/89/56/656228956.db2.gz CKLIMXBABKSAHK-OAHLLOKOSA-N 0 3 306.475 3.381 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C3CCC3)CCC2)C(C)(C)C1 ZINC000974908761 656240076 /nfs/dbraw/zinc/24/00/76/656240076.db2.gz VXPRNDDKQQCFMX-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001008784589 656249365 /nfs/dbraw/zinc/24/93/65/656249365.db2.gz OHABLURHKRLDBZ-CABCVRRESA-N 0 3 319.449 3.349 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)C(C)(C)C1 ZINC000975072443 656253824 /nfs/dbraw/zinc/25/38/24/656253824.db2.gz DDHOWQQILIDZAD-OAHLLOKOSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OC)c2C)C(C)(C)C1 ZINC000975079724 656254485 /nfs/dbraw/zinc/25/44/85/656254485.db2.gz BEELEONRSIMRKF-QGZVFWFLSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(CC)cc2)C(C)(C)C1 ZINC000975084911 656255406 /nfs/dbraw/zinc/25/54/06/656255406.db2.gz QHJSAGXITZMOKX-GOSISDBHSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)C(C)(C)C1 ZINC000975076919 656256039 /nfs/dbraw/zinc/25/60/39/656256039.db2.gz QNFCTLTUZWZGMM-OAHLLOKOSA-N 0 3 324.827 3.034 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc(Cl)cs2)C(C)(C)C1 ZINC000975111110 656256671 /nfs/dbraw/zinc/25/66/71/656256671.db2.gz ONEISKIHCYQLQE-CYBMUJFWSA-N 0 3 312.866 3.418 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001009304865 656281029 /nfs/dbraw/zinc/28/10/29/656281029.db2.gz KDRHCLHRLJZSEO-SFHVURJKSA-N 0 3 312.457 3.202 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC001027484696 656315670 /nfs/dbraw/zinc/31/56/70/656315670.db2.gz HFUNAYUSWQSVBM-QGZVFWFLSA-N 0 3 322.408 3.116 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(C)c2Cl)C(C)(C)C1 ZINC000977358051 656324605 /nfs/dbraw/zinc/32/46/05/656324605.db2.gz WAELJYRPRYQXEO-OAHLLOKOSA-N 0 3 318.848 3.112 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3cnccc3c2)C(C)(C)C1 ZINC000977415964 656327106 /nfs/dbraw/zinc/32/71/06/656327106.db2.gz BRGHACIBNVVDET-GOSISDBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C(C)(C)C1 ZINC000977497865 656335924 /nfs/dbraw/zinc/33/59/24/656335924.db2.gz ZVGYVFSHPBQPHZ-BRWVUGGUSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2c(C)csc2Cl)C(C)(C)C1 ZINC000977513805 656338200 /nfs/dbraw/zinc/33/82/00/656338200.db2.gz MMWXJVHAWBRBLC-LBPRGKRZSA-N 0 3 324.877 3.173 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2occ3c2CCCC3)C(C)(C)C1 ZINC000977523726 656338490 /nfs/dbraw/zinc/33/84/90/656338490.db2.gz SNVGFAXZLAZJJV-MRXNPFEDSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(C(F)F)c2)C(C)(C)C1 ZINC000977528786 656339240 /nfs/dbraw/zinc/33/92/40/656339240.db2.gz VVQHXXSGCATIFL-HNNXBMFYSA-N 0 3 320.383 3.088 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2OCC)C(C)(C)C1 ZINC000977537407 656340619 /nfs/dbraw/zinc/34/06/19/656340619.db2.gz AGRTUKOWEOXFEY-QGZVFWFLSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2sc(C)nc2C)C(C)(C)C1 ZINC000977574992 656344511 /nfs/dbraw/zinc/34/45/11/656344511.db2.gz KONWYLPOEGVSLJ-CQSZACIVSA-N 0 3 321.490 3.166 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3cnccc32)C(C)(C)C1 ZINC000977596346 656346539 /nfs/dbraw/zinc/34/65/39/656346539.db2.gz SODLLTJMHNDFOI-GOSISDBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2CC(c3ccccc3)C2)C(C)(C)C1 ZINC000977639847 656350511 /nfs/dbraw/zinc/35/05/11/656350511.db2.gz LIXMZHIGGJEQLJ-CTWPCTMYSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(F)cc2F)CC1 ZINC001006356894 661258014 /nfs/dbraw/zinc/25/80/14/661258014.db2.gz IOZYUZTVAKUYBA-UHFFFAOYSA-N 0 3 308.372 3.077 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2C2CCC2)C1 ZINC001027665520 656390751 /nfs/dbraw/zinc/39/07/51/656390751.db2.gz XFYQVLNCCHQPMS-KRWDZBQOSA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001027699096 656399677 /nfs/dbraw/zinc/39/96/77/656399677.db2.gz XRPKSUQYYWPGGL-MJGOQNOKSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3CC(C)(C)C3)C[C@H]2C1 ZINC000979661506 656440515 /nfs/dbraw/zinc/44/05/15/656440515.db2.gz OUNYJPZJCKNUOY-OFQRWUPVSA-N 0 3 324.896 3.392 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2(c3ccccc3)CCC2)CC1 ZINC001052541302 656443198 /nfs/dbraw/zinc/44/31/98/656443198.db2.gz UOZTUKYDFVBYLM-IBGZPJMESA-N 0 3 324.468 3.102 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc3cnccc32)CC1 ZINC001006403134 661263592 /nfs/dbraw/zinc/26/35/92/661263592.db2.gz AQLREZHFORLYFQ-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C)ccc2C2CC2)CC1 ZINC001052589437 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DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1coc2ccccc12 ZINC001049812499 656690554 /nfs/dbraw/zinc/69/05/54/656690554.db2.gz VZCDOFKNCKRXMW-ZWKOTPCHSA-N 0 3 324.424 3.227 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc2ccncc21 ZINC001049820089 656692310 /nfs/dbraw/zinc/69/23/10/656692310.db2.gz IIJRFINLEWUUHP-RBUKOAKNSA-N 0 3 321.424 3.100 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(F)CCCCC1 ZINC001049823390 656692411 /nfs/dbraw/zinc/69/24/11/656692411.db2.gz AUWLCURTJUQOIE-HZPDHXFCSA-N 0 3 308.441 3.300 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2cnccc2c1 ZINC001049825242 656693479 /nfs/dbraw/zinc/69/34/79/656693479.db2.gz MQSBUZBUPWSPLJ-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2ccn(C)c2c1 ZINC001049824687 656693546 /nfs/dbraw/zinc/69/35/46/656693546.db2.gz JTEUSCMUOCPUCV-ROUUACIJSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3sccc3C)C[C@H]21 ZINC001041891555 656694530 /nfs/dbraw/zinc/69/45/30/656694530.db2.gz 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ZINC001049855504 656700513 /nfs/dbraw/zinc/70/05/13/656700513.db2.gz RSZYYYYGUPTVTC-QXAKKESOSA-N 0 3 312.457 3.350 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)s1 ZINC001049869345 656706424 /nfs/dbraw/zinc/70/64/24/656706424.db2.gz BWVCOYJQOFFPFQ-CHWSQXEVSA-N 0 3 322.861 3.104 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1sc(C)cc1C ZINC001049872986 656707490 /nfs/dbraw/zinc/70/74/90/656707490.db2.gz ATVVLFQPGSARFU-JKSUJKDBSA-N 0 3 318.486 3.159 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049873709 656707790 /nfs/dbraw/zinc/70/77/90/656707790.db2.gz YJFAPNBLSAYGEE-OALUTQOASA-N 0 3 310.441 3.006 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(F)F)o1 ZINC001049876638 656709900 /nfs/dbraw/zinc/70/99/00/656709900.db2.gz NJDFRQLMRNIZAI-STQMWFEESA-N 0 3 324.371 3.472 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3oc(C)cc3C)C[C@@H]21 ZINC001042006863 656711312 /nfs/dbraw/zinc/71/13/12/656711312.db2.gz MPIQXLGQVOADTH-CVEARBPZSA-N 0 3 302.418 3.009 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccccc1Cl ZINC001049880546 656712526 /nfs/dbraw/zinc/71/25/26/656712526.db2.gz GHEUEBNYSUJRFQ-DLBZAZTESA-N 0 3 318.848 3.134 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2ccccc2[nH]1 ZINC001049883135 656713258 /nfs/dbraw/zinc/71/32/58/656713258.db2.gz HMHPXUJCLYYPIF-ZWKOTPCHSA-N 0 3 309.413 3.033 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(C)cs3)C[C@@H]21 ZINC001042042773 656715552 /nfs/dbraw/zinc/71/55/52/656715552.db2.gz KMGMGQWMVSOHPU-GJZGRUSLSA-N 0 3 304.459 3.169 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(Cl)cn1CC ZINC001049903313 656717336 /nfs/dbraw/zinc/71/73/36/656717336.db2.gz XIQKLDQUVFVXAH-HUUCEWRRSA-N 0 3 321.852 3.026 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001049910191 656719057 /nfs/dbraw/zinc/71/90/57/656719057.db2.gz UEZVBXVNJODBDP-SCTDSRPQSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C)CC=C(C)CC1 ZINC001049910193 656719206 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C=CCN1CC[C@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@H]21 ZINC001042099129 656722632 /nfs/dbraw/zinc/72/26/32/656722632.db2.gz WTBYBZZONNHICI-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001049919470 656722803 /nfs/dbraw/zinc/72/28/03/656722803.db2.gz WFCUVVJFXBDVHW-IXDOHACOSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)c1ccccc1 ZINC001049918076 656723371 /nfs/dbraw/zinc/72/33/71/656723371.db2.gz KIMTTWOZARPBLM-MOPGFXCFSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc2ccccc21 ZINC001049920748 656723916 /nfs/dbraw/zinc/72/39/16/656723916.db2.gz UPZGYCIXNABCHI-MOPGFXCFSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(F)ccc3CC)C[C@H]21 ZINC001042137251 656725061 /nfs/dbraw/zinc/72/50/61/656725061.db2.gz YULNGJAESKINJV-MAUKXSAKSA-N 0 3 316.420 3.111 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCC(C)(C)CC1 ZINC001049935168 656727735 /nfs/dbraw/zinc/72/77/35/656727735.db2.gz 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656738975 /nfs/dbraw/zinc/73/89/75/656738975.db2.gz NEDQWXWRDTYWGV-GDBMZVCRSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@@H]21 ZINC001042218963 656738998 /nfs/dbraw/zinc/73/89/98/656738998.db2.gz NEDQWXWRDTYWGV-HOCLYGCPSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3C3(C)CC3)C[C@@H]21 ZINC001042231637 656741416 /nfs/dbraw/zinc/74/14/16/656741416.db2.gz GMRUITHMXVUSBR-LPHOPBHVSA-N 0 3 324.468 3.461 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001052666433 656743545 /nfs/dbraw/zinc/74/35/45/656743545.db2.gz VAPNJDFJWZOEFX-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)C[C@@H]21 ZINC001042245891 656744651 /nfs/dbraw/zinc/74/46/51/656744651.db2.gz UCEIAKLFOIAPAI-LRDDRELGSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001028112620 656745491 /nfs/dbraw/zinc/74/54/91/656745491.db2.gz WLKHQOBSQIDYDO-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@H]21 ZINC001042273850 656747902 /nfs/dbraw/zinc/74/79/02/656747902.db2.gz VIRHGOCSTPOJAE-GOEBONIOSA-N 0 3 318.848 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3oc(CC)cc3C)C[C@@H]21 ZINC001042314600 656750613 /nfs/dbraw/zinc/75/06/13/656750613.db2.gz SUNKMFSMOYKRCR-WBVHZDCISA-N 0 3 316.445 3.263 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccccc3Cl)C[C@H]21 ZINC001042328139 656754064 /nfs/dbraw/zinc/75/40/64/656754064.db2.gz SAVMVOSHBBJJKD-CZUORRHYSA-N 0 3 304.821 3.062 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2Cl)CC1 ZINC001052731179 656754502 /nfs/dbraw/zinc/75/45/02/656754502.db2.gz LIEPYQFREAGAFN-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)csc3Cl)C[C@@H]21 ZINC001042330770 656754999 /nfs/dbraw/zinc/75/49/99/656754999.db2.gz GMNZSULGTIHVRW-STQMWFEESA-N 0 3 324.877 3.432 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C[C@@H]21 ZINC001042336528 656757182 /nfs/dbraw/zinc/75/71/82/656757182.db2.gz 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ZINC001042370971 656766654 /nfs/dbraw/zinc/76/66/54/656766654.db2.gz JLBRLLYBQRSDFS-GDBMZVCRSA-N 0 3 302.418 3.125 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c4c3CCC4)C[C@H]21 ZINC001042375713 656768481 /nfs/dbraw/zinc/76/84/81/656768481.db2.gz JBOHIHBMDCSMPO-OXJNMPFZSA-N 0 3 324.468 3.206 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cccc(Cl)c3C)C2)C1 ZINC000981786320 656768691 /nfs/dbraw/zinc/76/86/91/656768691.db2.gz DJJNQTCXBWVPJA-UHFFFAOYSA-N 0 3 318.848 3.372 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001052843591 656775782 /nfs/dbraw/zinc/77/57/82/656775782.db2.gz NQGKTEIRHOUPHB-IBGZPJMESA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC000981828539 656778231 /nfs/dbraw/zinc/77/82/31/656778231.db2.gz SYLDIYKIZMJPEN-UHFFFAOYSA-N 0 3 312.360 3.331 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001052886368 656783514 /nfs/dbraw/zinc/78/35/14/656783514.db2.gz JTSKQRFWMADTFJ-QGZVFWFLSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@]3(C)CCC[C@H]3CC)C2)C1 ZINC000981842698 656784939 /nfs/dbraw/zinc/78/49/39/656784939.db2.gz IUTGYQHMXZOJCM-AEFFLSMTSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028144274 656790133 /nfs/dbraw/zinc/79/01/33/656790133.db2.gz YPDFPXCVEJXKNG-MRXNPFEDSA-N 0 3 313.445 3.038 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2sccc2C2CC2)CC1 ZINC001052914121 656790157 /nfs/dbraw/zinc/79/01/57/656790157.db2.gz PWUCPUOLVIQNBJ-OAHLLOKOSA-N 0 3 316.470 3.233 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000981869331 656790929 /nfs/dbraw/zinc/79/09/29/656790929.db2.gz SHQNXJLEFWAPEJ-HNNXBMFYSA-N 0 3 318.848 3.001 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CC3(C)CCCCC3)C2)C1 ZINC000981881054 656793851 /nfs/dbraw/zinc/79/38/51/656793851.db2.gz NPOOYAWYGDLQOJ-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[C@H]3C3CC3)C2)C1 ZINC000981918117 656802102 /nfs/dbraw/zinc/80/21/02/656802102.db2.gz OKAKCHLUMYNBCG-ROUUACIJSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154109 656808511 /nfs/dbraw/zinc/80/85/11/656808511.db2.gz DZMFYAHWTZPOLH-ZDUSSCGKSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028160382 656819691 /nfs/dbraw/zinc/81/96/91/656819691.db2.gz SWVKVZSWOKPFAU-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001053059905 656834540 /nfs/dbraw/zinc/83/45/40/656834540.db2.gz AJYLSXXOZJATHT-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccccc2)C1 ZINC001053062327 656838031 /nfs/dbraw/zinc/83/80/31/656838031.db2.gz YKXVPKJUTHCPBY-OALUTQOASA-N 0 3 310.441 3.027 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccccc2)C1 ZINC001053062328 656838204 /nfs/dbraw/zinc/83/82/04/656838204.db2.gz YKXVPKJUTHCPBY-RBUKOAKNSA-N 0 3 310.441 3.027 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001028182320 656844116 /nfs/dbraw/zinc/84/41/16/656844116.db2.gz UNBYGSSBLGVMET-MRXNPFEDSA-N 0 3 318.465 3.015 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001028191520 656852795 /nfs/dbraw/zinc/85/27/95/656852795.db2.gz UHXHPBUOLJDFQP-YESZJQIVSA-N 0 3 318.848 3.210 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001028205338 656866635 /nfs/dbraw/zinc/86/66/35/656866635.db2.gz JBXDVXRLIVAMGH-OAHLLOKOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000982031932 656868549 /nfs/dbraw/zinc/86/85/49/656868549.db2.gz UCTKYZPDHXHZRX-UHFFFAOYSA-N 0 3 324.827 3.132 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(Cl)cs3)C2)C1 ZINC000982052192 656875808 /nfs/dbraw/zinc/87/58/08/656875808.db2.gz CKVINKLERMJWML-UHFFFAOYSA-N 0 3 310.850 3.126 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000982070783 656888054 /nfs/dbraw/zinc/88/80/54/656888054.db2.gz WGVUMJCSKYTYGY-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001054036269 656888767 /nfs/dbraw/zinc/88/87/67/656888767.db2.gz GPSUPRUFXWRAEK-VNTMZGSJSA-N 0 3 324.468 3.152 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000982075031 656890160 /nfs/dbraw/zinc/89/01/60/656890160.db2.gz NSFSNXKXTIXADE-SFHVURJKSA-N 0 3 312.457 3.046 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001054051483 656893319 /nfs/dbraw/zinc/89/33/19/656893319.db2.gz DVQUJCMSGPIBRL-IBGZPJMESA-N 0 3 324.468 3.296 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3(c4ccccc4C)CC3)C2)C1 ZINC000982171517 656912024 /nfs/dbraw/zinc/91/20/24/656912024.db2.gz MMGOUIONHBCCJT-UHFFFAOYSA-N 0 3 324.468 3.137 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3(C)C(C)(C)C3(C)C)C2)C1 ZINC000982173715 656912197 /nfs/dbraw/zinc/91/21/97/656912197.db2.gz CGZBCEFLOZDKJA-UHFFFAOYSA-N 0 3 304.478 3.169 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)C1CC1)C2 ZINC001054129369 656916846 /nfs/dbraw/zinc/91/68/46/656916846.db2.gz QDQGZEZQCZADEN-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C2 ZINC001054134721 656917334 /nfs/dbraw/zinc/91/73/34/656917334.db2.gz LRAVSEBKWZHEFQ-QKLQHJQFSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001054175408 656924956 /nfs/dbraw/zinc/92/49/56/656924956.db2.gz MPKHVONGPDPSFF-YJBOKZPZSA-N 0 3 310.457 3.261 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC=CCC1)C2 ZINC001054177187 656925801 /nfs/dbraw/zinc/92/58/01/656925801.db2.gz ZTKOZOLVAZGZDE-QUCCMNQESA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC001028237079 656933227 /nfs/dbraw/zinc/93/32/27/656933227.db2.gz PUQQMKDQKYCCCL-INIZCTEOSA-N 0 3 323.440 3.002 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028245289 656940602 /nfs/dbraw/zinc/94/06/02/656940602.db2.gz FCVSVAAEBKVEMR-GOSISDBHSA-N 0 3 309.413 3.005 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001054229980 656943116 /nfs/dbraw/zinc/94/31/16/656943116.db2.gz IWEBVBLKVLGTSV-BJLQDIEVSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)c1ccccc1C)C2 ZINC001054243779 656946338 /nfs/dbraw/zinc/94/63/38/656946338.db2.gz NWXQHEIZXUBXKI-RXVVDRJESA-N 0 3 324.468 3.046 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)c3ccccn3)cc2C1 ZINC001054252027 656949482 /nfs/dbraw/zinc/94/94/82/656949482.db2.gz XBOBUOMTHPKWLU-UHFFFAOYSA-N 0 3 321.424 3.293 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1Cl ZINC001028263651 656952248 /nfs/dbraw/zinc/95/22/48/656952248.db2.gz VNGDZZIGUUCMIV-HNNXBMFYSA-N 0 3 318.848 3.174 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H]3CC3(F)F)cc2C1 ZINC001054264699 656954934 /nfs/dbraw/zinc/95/49/34/656954934.db2.gz PFKKMRYSXCLBDS-INIZCTEOSA-N 0 3 320.383 3.240 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H]3CCC3(F)F)cc2C1 ZINC001054270112 656955765 /nfs/dbraw/zinc/95/57/65/656955765.db2.gz CBQJQBLXULRCEH-MRXNPFEDSA-N 0 3 320.383 3.240 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CCC3(F)F)cc2C1 ZINC001054270111 656955948 /nfs/dbraw/zinc/95/59/48/656955948.db2.gz CBQJQBLXULRCEH-INIZCTEOSA-N 0 3 320.383 3.240 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)CC3(C)CCCCC3)C[C@]2(C)C1 ZINC000982361749 656957528 /nfs/dbraw/zinc/95/75/28/656957528.db2.gz BKNYYSWVAFUBRO-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001028281621 656969284 /nfs/dbraw/zinc/96/92/84/656969284.db2.gz MKWOJRWDAZJDBH-SFHVURJKSA-N 0 3 312.457 3.202 20 30 DGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1sccc1C(F)F ZINC001028289381 656973927 /nfs/dbraw/zinc/97/39/27/656973927.db2.gz FJCFXQXLTQTICX-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001028300445 656984949 /nfs/dbraw/zinc/98/49/49/656984949.db2.gz XLWRLNKEMNVDQC-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001028301021 656985578 /nfs/dbraw/zinc/98/55/78/656985578.db2.gz MMACYCSXHICTIV-QGZVFWFLSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001028324046 656992737 /nfs/dbraw/zinc/99/27/37/656992737.db2.gz KJVHWLREFFYLIN-INIZCTEOSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001028336439 656997171 /nfs/dbraw/zinc/99/71/71/656997171.db2.gz DWCKHZMJSWZYTQ-ZDUSSCGKSA-N 0 3 321.490 3.211 20 30 DGEDHN CC1(NC(=O)C2=CCCC2)CCN(Cc2cccc(C#N)c2)CC1 ZINC001045408479 657020809 /nfs/dbraw/zinc/02/08/09/657020809.db2.gz XOCFBYYOQCXSMJ-UHFFFAOYSA-N 0 3 323.440 3.139 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001045436878 657023228 /nfs/dbraw/zinc/02/32/28/657023228.db2.gz WYOCHCXMAPHGPW-KGLIPLIRSA-N 0 3 302.418 3.173 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2nc(C(C)(C)C)cs2)CC1 ZINC001045468622 657026670 /nfs/dbraw/zinc/02/66/70/657026670.db2.gz MKAOJGUAWHCKNB-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(F)c(C)cc2F)CC1 ZINC001045468961 657027312 /nfs/dbraw/zinc/02/73/12/657027312.db2.gz SQXJRQADGHXXRX-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC001045508817 657030694 /nfs/dbraw/zinc/03/06/94/657030694.db2.gz VGVVSUQLMCWJDS-FXAWDEMLSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)cc(Cl)c2)CC1 ZINC001045501700 657030785 /nfs/dbraw/zinc/03/07/85/657030785.db2.gz ANJLWYZCAMNCJU-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc3ncccc3s2)CC1 ZINC001045522980 657032612 /nfs/dbraw/zinc/03/26/12/657032612.db2.gz BDBBQHMETCCKNH-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC001045544555 657035595 /nfs/dbraw/zinc/03/55/95/657035595.db2.gz IKKVXIQZSUCFKE-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC001045584900 657040417 /nfs/dbraw/zinc/04/04/17/657040417.db2.gz LTAHZBKZGMYDHU-UHFFFAOYSA-N 0 3 310.441 3.416 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001045610104 657042284 /nfs/dbraw/zinc/04/22/84/657042284.db2.gz DRFHMKPBORQNKI-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC001045618272 657044569 /nfs/dbraw/zinc/04/45/69/657044569.db2.gz NLBKMFSOJRUOOH-UHFFFAOYSA-N 0 3 322.452 3.254 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC001045650847 657049826 /nfs/dbraw/zinc/04/98/26/657049826.db2.gz QGWAYLRWYCSWHC-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2Cc3c2cccc3Cl)CC1 ZINC001045651650 657050246 /nfs/dbraw/zinc/05/02/46/657050246.db2.gz SUNWWBLHVXBESF-HNNXBMFYSA-N 0 3 318.848 3.136 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001028585663 657085708 /nfs/dbraw/zinc/08/57/08/657085708.db2.gz VOFRNAABKJPRIX-HNNXBMFYSA-N 0 3 324.399 3.054 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCC[C@@H]3CCC)CC2)CC1 ZINC001000189927 657102615 /nfs/dbraw/zinc/10/26/15/657102615.db2.gz JUKJNDCCZNMSPQ-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC=CCC1)C2 ZINC001045956688 657104307 /nfs/dbraw/zinc/10/43/07/657104307.db2.gz 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/nfs/dbraw/zinc/92/33/83/658923383.db2.gz ATJJISOXEUJCHF-UHFFFAOYSA-N 0 3 321.424 3.203 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038831880 658946626 /nfs/dbraw/zinc/94/66/26/658946626.db2.gz FOQAQUMNGSGKHV-KRWDZBQOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccn1C1CCCC1 ZINC001038864403 658949335 /nfs/dbraw/zinc/94/93/35/658949335.db2.gz GZZGVKIAYFUAPO-KRWDZBQOSA-N 0 3 315.461 3.374 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038866541 658949368 /nfs/dbraw/zinc/94/93/68/658949368.db2.gz FIDDSTZBSVUZCV-OAHLLOKOSA-N 0 3 304.434 3.482 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001038917571 658956753 /nfs/dbraw/zinc/95/67/53/658956753.db2.gz DASHQTANHIUOKE-KRWDZBQOSA-N 0 3 311.429 3.018 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC001038945551 658959857 /nfs/dbraw/zinc/95/98/57/658959857.db2.gz PUNYEPVBBVAZJB-CQSZACIVSA-N 0 3 312.335 3.086 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2ccccc2n1 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C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CC3CC3)CC2)C1 ZINC001039100570 658999117 /nfs/dbraw/zinc/99/91/17/658999117.db2.gz ZSQIZAOAQMMDBY-MRXNPFEDSA-N 0 3 310.869 3.100 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc(C=C)cc2)C1 ZINC001039235725 659050073 /nfs/dbraw/zinc/05/00/73/659050073.db2.gz ZTGJKASQLJNQOW-WOJBJXKFSA-N 0 3 322.452 3.279 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(F)c2Cl)C[C@@H]1C ZINC000947749531 659056951 /nfs/dbraw/zinc/05/69/51/659056951.db2.gz HLFMFTLPGJZWPK-STQMWFEESA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C3CCCCCCC3)CCC[C@@H]12 ZINC000991757898 659172671 /nfs/dbraw/zinc/17/26/71/659172671.db2.gz WXJPBBCRTCNYQO-IEBWSBKVSA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCOc1ccccc1CNCCn1c(C)nc2ccccc21 ZINC000061556772 659277079 /nfs/dbraw/zinc/27/70/79/659277079.db2.gz WVUBWSLAUIJLJD-UHFFFAOYSA-N 0 3 319.408 3.147 20 30 DGEDHN COc1ccc(CNCc2ccc(OC(F)F)cc2)cc1C#N ZINC000172688340 659349595 /nfs/dbraw/zinc/34/95/95/659349595.db2.gz KGVPYDJGNPHLOF-UHFFFAOYSA-N 0 3 318.323 3.458 20 30 DGEDHN N#CC(C(=O)CCC(F)(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000173953625 659406607 /nfs/dbraw/zinc/40/66/07/659406607.db2.gz HHTAAZDRBOYUSQ-JTQLQIEISA-N 0 3 318.682 3.330 20 30 DGEDHN C#CCCCNCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000174610721 659442237 /nfs/dbraw/zinc/44/22/37/659442237.db2.gz UKXSCCZHDRKYSC-UHFFFAOYSA-N 0 3 305.784 3.476 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4ccc(C)cc4[nH]3)CCC[C@@H]12 ZINC000992030640 659452601 /nfs/dbraw/zinc/45/26/01/659452601.db2.gz LXBJCLIKKSGGCD-QUCCMNQESA-N 0 3 323.440 3.389 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC(F)(F)CC3)CCC[C@@H]12 ZINC000992277979 659507169 /nfs/dbraw/zinc/50/71/69/659507169.db2.gz VGDPYJZBWDDVCJ-ZBFHGGJFSA-N 0 3 312.404 3.111 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC3CCCCCC3)CCC[C@@H]12 ZINC000992294360 659515107 /nfs/dbraw/zinc/51/51/07/659515107.db2.gz SNTVNNAJOQASQU-IEBWSBKVSA-N 0 3 302.462 3.093 20 30 DGEDHN C=C(C)CN1CC[C@]2(NC(=O)[C@H](F)c3ccccc3)CCC[C@@H]12 ZINC000992295973 659515154 /nfs/dbraw/zinc/51/51/54/659515154.db2.gz 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659557468 /nfs/dbraw/zinc/55/74/68/659557468.db2.gz XHEOLMFAQOWNJI-APWZRJJASA-N 0 3 314.429 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@H]12 ZINC000992471446 659558743 /nfs/dbraw/zinc/55/87/43/659558743.db2.gz VQWCMCOAZZNWKY-ICSRJNTNSA-N 0 3 310.441 3.054 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@@H]12 ZINC000992496389 659563757 /nfs/dbraw/zinc/56/37/57/659563757.db2.gz ULTVLOOVQYPGQB-QUCCMNQESA-N 0 3 310.441 3.054 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C4CC4)cc3)CCC[C@H]12 ZINC000992502472 659565831 /nfs/dbraw/zinc/56/58/31/659565831.db2.gz BCOMLFMVHOEJLB-ICSRJNTNSA-N 0 3 310.441 3.477 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CCCCC3(C)C)CCC[C@@H]12 ZINC000992508543 659567071 /nfs/dbraw/zinc/56/70/71/659567071.db2.gz GTNDIFLCDDLDCU-SQGPQFPESA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC4CCC3CC4)CCC[C@H]12 ZINC000992521363 659570077 /nfs/dbraw/zinc/57/00/77/659570077.db2.gz AYYMGXCWVWJEOA-KPSSQIJQSA-N 0 3 302.462 3.112 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993132506 659680065 /nfs/dbraw/zinc/68/00/65/659680065.db2.gz UBMTWROWIDQHJN-GXTWGEPZSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC000993344378 659718980 /nfs/dbraw/zinc/71/89/80/659718980.db2.gz GVZCVPCCFNIUBZ-ZBFHGGJFSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(F)c2C)[C@H]1C ZINC000993368738 659721941 /nfs/dbraw/zinc/72/19/41/659721941.db2.gz YCVSCSKZDMBFRF-RHSMWYFYSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)Cc2c(C)cccc2Cl)[C@H]1C ZINC000993532630 659757640 /nfs/dbraw/zinc/75/76/40/659757640.db2.gz VGUCYDZJVFFPAY-RHSMWYFYSA-N 0 3 320.864 3.346 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1C ZINC000993580184 659759765 /nfs/dbraw/zinc/75/97/65/659759765.db2.gz AQZDWQRCJGLWIN-CJNGLKHVSA-N 0 3 304.434 3.364 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993553753 659761317 /nfs/dbraw/zinc/76/13/17/659761317.db2.gz 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659787514 /nfs/dbraw/zinc/78/75/14/659787514.db2.gz PQDZECXONBECDU-RHSMWYFYSA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)c2ccccc2-n2cccc2)[C@@H]1C ZINC000993764830 659788085 /nfs/dbraw/zinc/78/80/85/659788085.db2.gz UXGRZKXLZILUJJ-WMZOPIPTSA-N 0 3 323.440 3.246 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2F)[C@@H]1C ZINC000993861301 659793631 /nfs/dbraw/zinc/79/36/31/659793631.db2.gz MWFIJOKDJRXBJB-SWLSCSKDSA-N 0 3 324.827 3.177 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(F)c2Cl)[C@H]1C ZINC000993863082 659794905 /nfs/dbraw/zinc/79/49/05/659794905.db2.gz PGDLICYTIQXLDY-DOMZBBRYSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H]1C ZINC000993836525 659795183 /nfs/dbraw/zinc/79/51/83/659795183.db2.gz XJRQXVUKNFGLQS-RDJZCZTQSA-N 0 3 315.461 3.364 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)cc2F)[C@@H]1C ZINC000993856564 659796613 /nfs/dbraw/zinc/79/66/13/659796613.db2.gz CJFCCDNHBKWMSU-YOEHRIQHSA-N 0 3 304.409 3.293 20 30 DGEDHN 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C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001080911952 688026396 /nfs/dbraw/zinc/02/63/96/688026396.db2.gz OXKOQAWCDFVLIO-DNVCBOLYSA-N 0 3 308.425 3.005 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001081168227 688058064 /nfs/dbraw/zinc/05/80/64/688058064.db2.gz MZAUEBJGOBSGHN-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C(C)(CC)CC)C[C@H]1c1ccccc1 ZINC001081230059 688059904 /nfs/dbraw/zinc/05/99/04/688059904.db2.gz MZXIRADRNJGRDV-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC001577426765 1191900852 /nfs/dbraw/zinc/90/08/52/1191900852.db2.gz WEPTWQGXYTWYTE-JKSUJKDBSA-N 0 3 312.498 3.338 20 30 DGEDHN CCOc1ccc(C#N)cc1NC(=O)[C@@H](N)C1CCCCCC1 ZINC001578171520 1191928797 /nfs/dbraw/zinc/92/87/97/1191928797.db2.gz KYJCTAVLNFCKRT-KRWDZBQOSA-N 0 3 315.417 3.193 20 30 DGEDHN C=CC[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccncc1 ZINC001620799659 1192082565 /nfs/dbraw/zinc/08/25/65/1192082565.db2.gz HCCUCTHSOVKFJG-LJQANCHMSA-N 0 3 321.424 3.381 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001663276805 1196825781 /nfs/dbraw/zinc/82/57/81/1196825781.db2.gz QQZQOZUUOCOIJQ-SFHVURJKSA-N 0 3 302.462 3.125 20 30 DGEDHN C=CC[C@H]1CCC[N@@H+](Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001588560510 1192450275 /nfs/dbraw/zinc/45/02/75/1192450275.db2.gz RURBERASONBNQY-HNNXBMFYSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CC[C@H]1CCC[N@H+](Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001588560510 1192450277 /nfs/dbraw/zinc/45/02/77/1192450277.db2.gz RURBERASONBNQY-HNNXBMFYSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CC[C@H]1CCC[N@@H+](Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001588560510 1192450279 /nfs/dbraw/zinc/45/02/79/1192450279.db2.gz RURBERASONBNQY-HNNXBMFYSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CC[C@H]1CCC[N@H+](Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001588560510 1192450281 /nfs/dbraw/zinc/45/02/81/1192450281.db2.gz RURBERASONBNQY-HNNXBMFYSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588635836 1192451430 /nfs/dbraw/zinc/45/14/30/1192451430.db2.gz YAYPJDQHBCOFLQ-AWEZNQCLSA-N 0 3 323.400 3.251 20 30 DGEDHN C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588635836 1192451432 /nfs/dbraw/zinc/45/14/32/1192451432.db2.gz YAYPJDQHBCOFLQ-AWEZNQCLSA-N 0 3 323.400 3.251 20 30 DGEDHN C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588635836 1192451433 /nfs/dbraw/zinc/45/14/33/1192451433.db2.gz YAYPJDQHBCOFLQ-AWEZNQCLSA-N 0 3 323.400 3.251 20 30 DGEDHN C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588635836 1192451436 /nfs/dbraw/zinc/45/14/36/1192451436.db2.gz YAYPJDQHBCOFLQ-AWEZNQCLSA-N 0 3 323.400 3.251 20 30 DGEDHN C=CCC[C@@H]([NH2+]Cc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588580001 1192451773 /nfs/dbraw/zinc/45/17/73/1192451773.db2.gz WYJJKPCHPLVROG-QGZVFWFLSA-N 0 3 320.400 3.059 20 30 DGEDHN CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590466934 1192510220 /nfs/dbraw/zinc/51/02/20/1192510220.db2.gz MIBOPFQHCKHUEM-KVULBXGLSA-N 0 3 324.432 3.237 20 30 DGEDHN CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590466934 1192510223 /nfs/dbraw/zinc/51/02/23/1192510223.db2.gz MIBOPFQHCKHUEM-KVULBXGLSA-N 0 3 324.432 3.237 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1scnc1Cl)c1ccccc1 ZINC001664598971 1197019369 /nfs/dbraw/zinc/01/93/69/1197019369.db2.gz OPFOGVYIFDCDOT-LBPRGKRZSA-N 0 3 321.833 3.043 20 30 DGEDHN C[N@H+](CCCCC1(C#N)CCC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591067211 1192557615 /nfs/dbraw/zinc/55/76/15/1192557615.db2.gz OWLHZKBCXOXESG-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591067211 1192557619 /nfs/dbraw/zinc/55/76/19/1192557619.db2.gz OWLHZKBCXOXESG-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN C[N@H+](CCCCC1(C#N)CCC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591067211 1192557625 /nfs/dbraw/zinc/55/76/25/1192557625.db2.gz OWLHZKBCXOXESG-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591067211 1192557626 /nfs/dbraw/zinc/55/76/26/1192557626.db2.gz OWLHZKBCXOXESG-UHFFFAOYSA-N 0 3 324.432 3.163 20 30 DGEDHN C=CCCCNCc1cccc(F)c1I ZINC001620924350 1192616045 /nfs/dbraw/zinc/61/60/45/1192616045.db2.gz RRBGDHWLPDREIQ-UHFFFAOYSA-N 0 3 319.161 3.486 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001670451198 1176140359 /nfs/dbraw/zinc/14/03/59/1176140359.db2.gz QJVQQTPFYZGLNZ-INIZCTEOSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc(Cl)cc1 ZINC001691035983 1176174625 /nfs/dbraw/zinc/17/46/25/1176174625.db2.gz SQQFUDZAXXCAHF-UHFFFAOYSA-N 0 3 308.853 3.490 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001670657332 1176204743 /nfs/dbraw/zinc/20/47/43/1176204743.db2.gz WAGKODQNRDRFAM-KBPBESRZSA-N 0 3 322.399 3.432 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001670692937 1176221009 /nfs/dbraw/zinc/22/10/09/1176221009.db2.gz XKXGXLWKTODATN-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001670724279 1176235386 /nfs/dbraw/zinc/23/53/86/1176235386.db2.gz GUPYZQLKYCPZFG-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001597314596 1192727611 /nfs/dbraw/zinc/72/76/11/1192727611.db2.gz RPQXOPWXJLJCIG-HNNXBMFYSA-N 0 3 304.459 3.035 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001772541173 1176272078 /nfs/dbraw/zinc/27/20/78/1176272078.db2.gz OIPKRBBVZYQDSE-GFCCVEGCSA-N 0 3 309.479 3.053 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001691061321 1176285388 /nfs/dbraw/zinc/28/53/88/1176285388.db2.gz FRXMNNAKPBPPQA-TVFCKZIOSA-N 0 3 322.493 3.057 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001691062916 1176287290 /nfs/dbraw/zinc/28/72/90/1176287290.db2.gz XAXKHYMDHQPWEH-SFHVURJKSA-N 0 3 311.429 3.052 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001691068119 1176291170 /nfs/dbraw/zinc/29/11/70/1176291170.db2.gz HRABPKXTYZUVQR-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(CC(C)C)c[nH]1 ZINC001691068233 1176292350 /nfs/dbraw/zinc/29/23/50/1176292350.db2.gz KAYJPRDOONDXID-KRWDZBQOSA-N 0 3 317.477 3.326 20 30 DGEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC001691082941 1176300085 /nfs/dbraw/zinc/30/00/85/1176300085.db2.gz OVWOWCPSAGQNDL-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001691098473 1176310408 /nfs/dbraw/zinc/31/04/08/1176310408.db2.gz MXZIZMCBIKGGHA-FZNQNYSPSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001691098412 1176310714 /nfs/dbraw/zinc/31/07/14/1176310714.db2.gz KUZVUQIZNQOTEL-OKILXGFUSA-N 0 3 321.490 3.038 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](CC)CC1CCCC1 ZINC001700192732 1176339568 /nfs/dbraw/zinc/33/95/68/1176339568.db2.gz AADYQMNFOFOUMO-SFHVURJKSA-N 0 3 306.494 3.397 20 30 DGEDHN O=C(CCCC1CC1)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001691161121 1176347390 /nfs/dbraw/zinc/34/73/90/1176347390.db2.gz DHOLKRYQFJGFDB-MXVIHJGJSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001691164450 1176349194 /nfs/dbraw/zinc/34/91/94/1176349194.db2.gz VHCQASDDADYNGI-LALPHHSUSA-N 0 3 319.276 3.392 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)C2CC2)C1 ZINC001691203869 1176391502 /nfs/dbraw/zinc/39/15/02/1176391502.db2.gz PCBKYCWIAAANRX-FFZOFVMBSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCN(CCNC(=O)c1ccccc1C(C)(C)C)C1CC1 ZINC001691213232 1176394393 /nfs/dbraw/zinc/39/43/93/1176394393.db2.gz PWRLWGQDVCTSJI-UHFFFAOYSA-N 0 3 300.446 3.364 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(F)ccc1CC)C1CC1 ZINC001691215560 1176395727 /nfs/dbraw/zinc/39/57/27/1176395727.db2.gz VHGYMQMCVZJYCH-UHFFFAOYSA-N 0 3 304.409 3.158 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2ccccc2s1)C1CC1 ZINC001691215587 1176396372 /nfs/dbraw/zinc/39/63/72/1176396372.db2.gz VXUPYHHXYHPGOP-UHFFFAOYSA-N 0 3 300.427 3.282 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](CCC)C(C)C)C2)CC1 ZINC001691277370 1176420925 /nfs/dbraw/zinc/42/09/25/1176420925.db2.gz XKCLYFSTZKTZHO-ROUUACIJSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C=C1CCC1 ZINC001691294754 1176427095 /nfs/dbraw/zinc/42/70/95/1176427095.db2.gz MPGWYAJVPUDAJN-XJKSGUPXSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc[nH]c1 ZINC001691401613 1176468975 /nfs/dbraw/zinc/46/89/75/1176468975.db2.gz QQBFWZQWXPDXTN-CZUORRHYSA-N 0 3 323.868 3.378 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001691406478 1176472690 /nfs/dbraw/zinc/47/26/90/1176472690.db2.gz OBQBDVAATJNRPC-HIFRSBDPSA-N 0 3 319.449 3.046 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001691433090 1176536846 /nfs/dbraw/zinc/53/68/46/1176536846.db2.gz NHDNAGWEVRYKHT-BJHJDKERSA-N 0 3 300.805 3.021 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001691440645 1176576016 /nfs/dbraw/zinc/57/60/16/1176576016.db2.gz CKCKTMVEHGIRLI-CYBMUJFWSA-N 0 3 310.388 3.115 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC001699153445 1176620636 /nfs/dbraw/zinc/62/06/36/1176620636.db2.gz QKZJANGHQLUAIK-LLVKDONJSA-N 0 3 301.217 3.191 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2cccs2)CC1 ZINC001752430750 1176777933 /nfs/dbraw/zinc/77/79/33/1176777933.db2.gz BQIHIYWFEFLHOQ-UHFFFAOYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)SC ZINC001692362798 1176794671 /nfs/dbraw/zinc/79/46/71/1176794671.db2.gz PRMWCVZXPKXLPH-JYJNAYRXSA-N 0 3 310.507 3.160 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC001598188445 1192765508 /nfs/dbraw/zinc/76/55/08/1192765508.db2.gz GTKDRXRXUYKBIZ-GJZGRUSLSA-N 0 3 300.512 3.241 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CSC ZINC001752531827 1176887236 /nfs/dbraw/zinc/88/72/36/1176887236.db2.gz KUTFTPIUAFLFJC-ZACQAIPSSA-N 0 3 324.534 3.407 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)[C@H](C)c1cccc(Cl)c1 ZINC001755299502 1176891336 /nfs/dbraw/zinc/89/13/36/1176891336.db2.gz VLZIICKRNVGVAI-LSDHHAIUSA-N 0 3 320.864 3.497 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001691807016 1177045047 /nfs/dbraw/zinc/04/50/47/1177045047.db2.gz DIZBICMLBXZNCV-CTYIDZIISA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001671671748 1177114828 /nfs/dbraw/zinc/11/48/28/1177114828.db2.gz BDWHPLRIEYRFII-HNAYVOBHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC001752822012 1177203095 /nfs/dbraw/zinc/20/30/95/1177203095.db2.gz XJCFEFWYFSYSTO-AEFFLSMTSA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC001752822267 1177204354 /nfs/dbraw/zinc/20/43/54/1177204354.db2.gz CYBMULJLLVNGIB-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1ccco1 ZINC001752824088 1177211477 /nfs/dbraw/zinc/21/14/77/1177211477.db2.gz PETXZDMHTNEKRQ-JKSUJKDBSA-N 0 3 304.434 3.320 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001670845714 1177224706 /nfs/dbraw/zinc/22/47/06/1177224706.db2.gz LGFUAOMKRXDMOD-UHFFFAOYSA-N 0 3 304.409 3.229 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cc(C)ns1)C(C)(C)C ZINC001755820298 1177255881 /nfs/dbraw/zinc/25/58/81/1177255881.db2.gz IUAXUCOWXZREOM-CQSZACIVSA-N 0 3 309.479 3.038 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2(C=C)CCCCC2)C1 ZINC001752840720 1177291646 /nfs/dbraw/zinc/29/16/46/1177291646.db2.gz LTYYBRDZQNRWPQ-ZWKOTPCHSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C2CCC2)CC1 ZINC001670980169 1177562523 /nfs/dbraw/zinc/56/25/23/1177562523.db2.gz KEFIHHBIJYOCDJ-UHFFFAOYSA-N 0 3 310.869 3.242 20 30 DGEDHN C=CCCC(=O)N1CC[C@](C)(CNCc2c(F)cccc2F)C1 ZINC001671714595 1177581716 /nfs/dbraw/zinc/58/17/16/1177581716.db2.gz IFPKZHLLILSAJV-GOSISDBHSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@@H](C)NCc2cnc(C)o2)CC1 ZINC001691667250 1177621720 /nfs/dbraw/zinc/62/17/20/1177621720.db2.gz OHPKPADFEYQBDK-CQSZACIVSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1[nH]ccc1C ZINC001691721715 1177884456 /nfs/dbraw/zinc/88/44/56/1177884456.db2.gz NEARFOQGSPLPEC-DOMZBBRYSA-N 0 3 323.868 3.296 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001274622972 1177919519 /nfs/dbraw/zinc/91/95/19/1177919519.db2.gz HZWPDNSUGIUOTG-AEFFLSMTSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001331549906 1178244188 /nfs/dbraw/zinc/24/41/88/1178244188.db2.gz ZVSMNUXDSIZCTN-KSSFIOAISA-N 0 3 306.425 3.365 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CC1CCCC1 ZINC001331954247 1178318964 /nfs/dbraw/zinc/31/89/64/1178318964.db2.gz OYKUPDGQNHQNFW-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@H]1C ZINC001331974649 1178325647 /nfs/dbraw/zinc/32/56/47/1178325647.db2.gz FNOAIOJEUQUSJY-GDBMZVCRSA-N 0 3 318.848 3.223 20 30 DGEDHN Cc1cc(C)c2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2n1 ZINC001332134779 1178366641 /nfs/dbraw/zinc/36/66/41/1178366641.db2.gz JBWMNNURTNQVFJ-INIZCTEOSA-N 0 3 310.401 3.201 20 30 DGEDHN C=CCN(C)CCN(C(=O)CC1(c2ccccc2)CC1)C(C)C ZINC001332710902 1178479510 /nfs/dbraw/zinc/47/95/10/1178479510.db2.gz MTTKYTCQBRNMJS-UHFFFAOYSA-N 0 3 314.473 3.463 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C(C)C)cn1)C(C)C ZINC001332732969 1178486411 /nfs/dbraw/zinc/48/64/11/1178486411.db2.gz WBZMPEPZXFSMBC-UHFFFAOYSA-N 0 3 315.461 3.011 20 30 DGEDHN CCC(=O)N[C@@H](CNCC#Cc1ccc(Cl)cc1)C(C)(C)C ZINC001332753119 1178491502 /nfs/dbraw/zinc/49/15/02/1178491502.db2.gz JPDIZOPPULJUII-INIZCTEOSA-N 0 3 320.864 3.222 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001332959817 1178529152 /nfs/dbraw/zinc/52/91/52/1178529152.db2.gz FOOXXQYPOKIYIY-JGZYNSJSSA-N 0 3 324.468 3.330 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(NCc2cccc(C(C)C)n2)C1 ZINC001333043531 1178546654 /nfs/dbraw/zinc/54/66/54/1178546654.db2.gz VOPDIGOICVFIHB-UHFFFAOYSA-N 0 3 315.461 3.250 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCCc2ccccc2)C1 ZINC001333116162 1178558510 /nfs/dbraw/zinc/55/85/10/1178558510.db2.gz NIKQVRSGVNJLMP-UHFFFAOYSA-N 0 3 320.864 3.341 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC001333418345 1178602882 /nfs/dbraw/zinc/60/28/82/1178602882.db2.gz YEKFKPSNWXZWCV-QGZVFWFLSA-N 0 3 312.457 3.423 20 30 DGEDHN Cc1nn(C)c(Cl)c1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC001333809134 1178677475 /nfs/dbraw/zinc/67/74/75/1178677475.db2.gz MHMMYZBBFXFGTO-UHFFFAOYSA-N 0 3 316.836 3.365 20 30 DGEDHN N#CC1(CCCCN2CCC(O)(C(F)(F)F)CC2)CCC1 ZINC001334645697 1178778004 /nfs/dbraw/zinc/77/80/04/1178778004.db2.gz WYTPYFKZQSDPNP-UHFFFAOYSA-N 0 3 304.356 3.240 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC001341465108 1179012835 /nfs/dbraw/zinc/01/28/35/1179012835.db2.gz GMZDZZNOYAITCF-KRWDZBQOSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC001341468017 1179014003 /nfs/dbraw/zinc/01/40/03/1179014003.db2.gz YBQOYTMXXUBPSJ-LLVKDONJSA-N 0 3 302.296 3.049 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC001341616292 1179038984 /nfs/dbraw/zinc/03/89/84/1179038984.db2.gz QYIIECOMMBSBGC-IXDOHACOSA-N 0 3 310.482 3.092 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)CCC[C@@H]2CC ZINC001341670363 1179044545 /nfs/dbraw/zinc/04/45/45/1179044545.db2.gz RMTFAXQXWZOLAB-VHSXEESVSA-N 0 3 313.854 3.381 20 30 DGEDHN CC[N@H+](Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1)C(C)C ZINC001342168250 1179112721 /nfs/dbraw/zinc/11/27/21/1179112721.db2.gz ZJZKEBNAEVBFCE-KRWDZBQOSA-N 0 3 324.428 3.140 20 30 DGEDHN CC[N@@H+](Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1)C(C)C ZINC001342168250 1179112727 /nfs/dbraw/zinc/11/27/27/1179112727.db2.gz ZJZKEBNAEVBFCE-KRWDZBQOSA-N 0 3 324.428 3.140 20 30 DGEDHN CCC[N@H+](CC)Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1 ZINC001342268002 1179124553 /nfs/dbraw/zinc/12/45/53/1179124553.db2.gz JFYQUDZSTXRJIC-KRWDZBQOSA-N 0 3 324.428 3.142 20 30 DGEDHN CCC[N@@H+](CC)Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1 ZINC001342268002 1179124558 /nfs/dbraw/zinc/12/45/58/1179124558.db2.gz JFYQUDZSTXRJIC-KRWDZBQOSA-N 0 3 324.428 3.142 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCc2ccccn2)C1 ZINC001342324721 1179130172 /nfs/dbraw/zinc/13/01/72/1179130172.db2.gz JYVFDTQUXYUNLE-IBGZPJMESA-N 0 3 324.424 3.438 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1ncc(Cl)s1 ZINC001342338917 1179131150 /nfs/dbraw/zinc/13/11/50/1179131150.db2.gz JSAUGEYVGKBNJH-LLVKDONJSA-N 0 3 317.886 3.491 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1ccccn1 ZINC001342456276 1179141989 /nfs/dbraw/zinc/14/19/89/1179141989.db2.gz UHCDTOHAAAOMSL-HKUYNNGSSA-N 0 3 323.440 3.165 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001342517660 1179149241 /nfs/dbraw/zinc/14/92/41/1179149241.db2.gz GKYYDLSKISWKIZ-BPUTZDHNSA-N 0 3 306.837 3.251 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001342517675 1179149532 /nfs/dbraw/zinc/14/95/32/1179149532.db2.gz GKYYDLSKISWKIZ-CWRNSKLLSA-N 0 3 306.837 3.251 20 30 DGEDHN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1cccc(F)n1 ZINC001343367634 1179262609 /nfs/dbraw/zinc/26/26/09/1179262609.db2.gz JDKUTPMGUXITSW-JTQLQIEISA-N 0 3 309.222 3.125 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC001343530203 1179292632 /nfs/dbraw/zinc/29/26/32/1179292632.db2.gz HXVVMIXZWYCOFQ-OLZOCXBDSA-N 0 3 319.474 3.490 20 30 DGEDHN COc1ccc2ncc(C#N)c(N3CCN(C(C)(C)C)CC3)c2c1 ZINC001345721574 1179599476 /nfs/dbraw/zinc/59/94/76/1179599476.db2.gz KOFMODZYARIXOX-UHFFFAOYSA-N 0 3 324.428 3.036 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccc(C(N)=O)c1C ZINC001346068269 1179647139 /nfs/dbraw/zinc/64/71/39/1179647139.db2.gz KWRYIJHCGPMIKP-HNNXBMFYSA-N 0 3 319.449 3.110 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cn(C)c2ccccc12 ZINC001346096788 1179653304 /nfs/dbraw/zinc/65/33/04/1179653304.db2.gz UWEYALJPFVGFDY-INIZCTEOSA-N 0 3 320.396 3.204 20 30 DGEDHN C#Cc1ccc(NC2CCN([C@@H](C)c3ccncc3)CC2)nc1 ZINC001348052907 1179827862 /nfs/dbraw/zinc/82/78/62/1179827862.db2.gz UNAWPYWXOCIRTL-HNNXBMFYSA-N 0 3 306.413 3.095 20 30 DGEDHN C#CCCCCC(=O)N(CCC)C1CCN(CC(=C)C)CC1 ZINC001479992118 1179948387 /nfs/dbraw/zinc/94/83/87/1179948387.db2.gz LCEPFISUEBSFJG-UHFFFAOYSA-N 0 3 304.478 3.459 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC001349887046 1179972953 /nfs/dbraw/zinc/97/29/53/1179972953.db2.gz ZKTSQFPITYPTDX-CQSZACIVSA-N 0 3 318.808 3.102 20 30 DGEDHN C=C(CNCc1ccccc1OCC(=O)OC)c1ccccc1 ZINC001200142097 1180405697 /nfs/dbraw/zinc/40/56/97/1180405697.db2.gz QSLRBMRGKDRSCY-UHFFFAOYSA-N 0 3 311.381 3.041 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2cc(Cl)ccc2F)C1 ZINC001100170435 1180418918 /nfs/dbraw/zinc/41/89/18/1180418918.db2.gz NYADDARPLLWLLH-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(F)=C2CCCC2)C1 ZINC001100242848 1180480898 /nfs/dbraw/zinc/48/08/98/1180480898.db2.gz NHDNAGWEVRYKHT-UHFFFAOYSA-N 0 3 300.805 3.021 20 30 DGEDHN CC(C(=O)NCC1CC(NCC#Cc2ccccc2)C1)=C1CCC1 ZINC001100312278 1180561263 /nfs/dbraw/zinc/56/12/63/1180561263.db2.gz HSTDZRFBMDGZGJ-UHFFFAOYSA-N 0 3 322.452 3.023 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001480533509 1180618539 /nfs/dbraw/zinc/61/85/39/1180618539.db2.gz KLKUZHXZLQVHSK-CHWSQXEVSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC001353845650 1180662546 /nfs/dbraw/zinc/66/25/46/1180662546.db2.gz VBGWQTGCMAYGMK-GJZGRUSLSA-N 0 3 322.836 3.354 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCCOC1CCCCCC1 ZINC001200534913 1180707434 /nfs/dbraw/zinc/70/74/34/1180707434.db2.gz VNBXWNCIIBLMAL-UHFFFAOYSA-N 0 3 315.461 3.453 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cccc(F)c2F)C1 ZINC001100564626 1180794431 /nfs/dbraw/zinc/79/44/31/1180794431.db2.gz OTIMHTOFJVBKLY-UHFFFAOYSA-N 0 3 322.399 3.161 20 30 DGEDHN CC#CCCCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100590370 1180827722 /nfs/dbraw/zinc/82/77/22/1180827722.db2.gz WLBFVRSAOWCNOY-UHFFFAOYSA-N 0 3 316.420 3.004 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(NCc2nc(C)c(C)s2)CC1 ZINC001200816125 1180932871 /nfs/dbraw/zinc/93/28/71/1180932871.db2.gz QVFLZVGEDXVFPF-UHFFFAOYSA-N 0 3 321.490 3.197 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCOCC1 ZINC001357587390 1181411728 /nfs/dbraw/zinc/41/17/28/1181411728.db2.gz ITGDRFXNHVBGNI-ZWKOTPCHSA-N 0 3 324.509 3.482 20 30 DGEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)C(C#N)c1cccc(F)n1 ZINC001357599674 1181412380 /nfs/dbraw/zinc/41/23/80/1181412380.db2.gz ZDFAEUSZIBZLDW-CQSZACIVSA-N 0 3 323.327 3.126 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC001358434412 1181493553 /nfs/dbraw/zinc/49/35/53/1181493553.db2.gz ZVDYUPIXVKIKSZ-VUGNNNGISA-N 0 3 310.482 3.138 20 30 DGEDHN C=CC[C@@H](C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001473435712 1181522781 /nfs/dbraw/zinc/52/27/81/1181522781.db2.gz CAZJCPDWSCKYRI-PBHICJAKSA-N 0 3 303.837 3.487 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC(C)(C)C[C@H]1C ZINC001473555119 1181543475 /nfs/dbraw/zinc/54/34/75/1181543475.db2.gz VNSDJLNAIUEJGZ-BHEGOAEISA-N 0 3 319.493 3.426 20 30 DGEDHN C=CCC(C)(C)Cn1c(C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359184146 1181594250 /nfs/dbraw/zinc/59/42/50/1181594250.db2.gz DNAUUAJLMJQPOX-UHFFFAOYSA-N 0 3 319.497 3.109 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001480741799 1181690864 /nfs/dbraw/zinc/69/08/64/1181690864.db2.gz BEKNQNLZTSAPQS-OFLPRAFFSA-N 0 3 304.478 3.005 20 30 DGEDHN C#C[C@H](NC(=O)C1(N(C)C)CCCC1)c1ccc(Cl)cc1 ZINC001450851409 1182259108 /nfs/dbraw/zinc/25/91/08/1182259108.db2.gz QREFCKBNQZAWCA-HNNXBMFYSA-N 0 3 304.821 3.005 20 30 DGEDHN N#C[C@H](c1ccccc1)N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001459701314 1182607452 /nfs/dbraw/zinc/60/74/52/1182607452.db2.gz PSKMAKHBXCTLQX-HSALFYBXSA-N 0 3 309.457 3.305 20 30 DGEDHN C=CCN(CC(=O)NCc1cccc(OCCC)c1)C(C)(C)C ZINC001460447151 1182688996 /nfs/dbraw/zinc/68/89/96/1182688996.db2.gz HBTCSZAHAURTCN-UHFFFAOYSA-N 0 3 318.461 3.378 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@]1(C)C1CCCCC1 ZINC001460688926 1182708162 /nfs/dbraw/zinc/70/81/62/1182708162.db2.gz XRYCIRUHLRJZLT-CRAIPNDOSA-N 0 3 305.466 3.039 20 30 DGEDHN C#C[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(Cl)cc1F ZINC001460803533 1182725076 /nfs/dbraw/zinc/72/50/76/1182725076.db2.gz VKPRCWFUZPCUIH-JKSUJKDBSA-N 0 3 322.811 3.142 20 30 DGEDHN C#CCC1(N[C@H]2CCCN(c3ccccc3Cl)C2=O)CCC1 ZINC001460822472 1182728101 /nfs/dbraw/zinc/72/81/01/1182728101.db2.gz YQOIMJZSEUGELW-HNNXBMFYSA-N 0 3 316.832 3.371 20 30 DGEDHN C[C@]12CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001460866673 1182733470 /nfs/dbraw/zinc/73/34/70/1182733470.db2.gz WMXNHGCKEUYFQH-JXSMBQFASA-N 0 3 311.385 3.334 20 30 DGEDHN C=CCCOCCNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC001461413683 1182809600 /nfs/dbraw/zinc/80/96/00/1182809600.db2.gz WLRZHZKPEDYKGC-UHFFFAOYSA-N 0 3 321.314 3.449 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CCCN1[O-] ZINC001462405372 1182947808 /nfs/dbraw/zinc/94/78/08/1182947808.db2.gz QZVYPFQDLPDZPL-IXDOHACOSA-N 0 3 302.418 3.073 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(F)F)cc1F ZINC001467728799 1183284701 /nfs/dbraw/zinc/28/47/01/1183284701.db2.gz QNTKUJCBQIJXAR-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C2CC2)cnc1Cl ZINC001467727812 1183284965 /nfs/dbraw/zinc/28/49/65/1183284965.db2.gz QWYQRYJVXREBAA-UHFFFAOYSA-N 0 3 321.852 3.192 20 30 DGEDHN C#CCN(C)CCCNC(=O)N(C1CC1)C1CCC(CC)CC1 ZINC001470352428 1183479911 /nfs/dbraw/zinc/47/99/11/1183479911.db2.gz IMZLHKMUFOOTFE-UHFFFAOYSA-N 0 3 319.493 3.084 20 30 DGEDHN CCCN(Cc1cc(C#N)ccn1)[C@H]1C[C@H](OCC)C1(C)C ZINC001473176059 1183724179 /nfs/dbraw/zinc/72/41/79/1183724179.db2.gz RQBQLUOGRFMOHX-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN CCCN(Cc1cc(C#N)ccn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001473176057 1183724438 /nfs/dbraw/zinc/72/44/38/1183724438.db2.gz RQBQLUOGRFMOHX-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)ccn2)C1(CC)CC ZINC001473244042 1183734369 /nfs/dbraw/zinc/73/43/69/1183734369.db2.gz OGXPMTCRKYOJNC-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN N#CC[C@@H](O)CN1CCCCC[C@H]1Cc1ccccc1Cl ZINC001473509605 1183767692 /nfs/dbraw/zinc/76/76/92/1183767692.db2.gz PZINBLDNIKHUIY-JKSUJKDBSA-N 0 3 306.837 3.402 20 30 DGEDHN COC(=O)CC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001473767895 1183799421 /nfs/dbraw/zinc/79/94/21/1183799421.db2.gz PAOZPEFNNMSDBM-INIZCTEOSA-N 0 3 319.832 3.357 20 30 DGEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)c(Cl)c2)CCC1 ZINC001473819470 1183808201 /nfs/dbraw/zinc/80/82/01/1183808201.db2.gz GUHKDGCPMCSYHZ-UHFFFAOYSA-N 0 3 311.212 3.468 20 30 DGEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473868137 1183814657 /nfs/dbraw/zinc/81/46/57/1183814657.db2.gz JKTROEUKRWAFRJ-HNNXBMFYSA-N 0 3 315.804 3.028 20 30 DGEDHN C#CC1(NCc2cc(Br)c(O)c(OC)c2)CCCC1 ZINC001474246826 1183889400 /nfs/dbraw/zinc/88/94/00/1183889400.db2.gz HUWGHWFPRHHIMZ-UHFFFAOYSA-N 0 3 324.218 3.199 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCOCC2(CCCC2)C1 ZINC001474455630 1183924601 /nfs/dbraw/zinc/92/46/01/1183924601.db2.gz GEDOJXXQOVGZDI-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN C#C[C@H](CCC)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001478896791 1184184438 /nfs/dbraw/zinc/18/44/38/1184184438.db2.gz RIPFSKRXKLKDFR-CVEARBPZSA-N 0 3 321.852 3.044 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC001479031587 1184196031 /nfs/dbraw/zinc/19/60/31/1184196031.db2.gz PTAFXKGOPDUKGW-UHFFFAOYSA-N 0 3 321.465 3.264 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001479252567 1184219362 /nfs/dbraw/zinc/21/93/62/1184219362.db2.gz NGVMOCPOCFWBLU-HOTGVXAUSA-N 0 3 304.434 3.190 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001479313601 1184231730 /nfs/dbraw/zinc/23/17/30/1184231730.db2.gz MNHOZNBSHSNRGP-INMHGKMJSA-N 0 3 318.436 3.412 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCNCC(=C)Cl ZINC001479515426 1184263620 /nfs/dbraw/zinc/26/36/20/1184263620.db2.gz HBWYASHXULUKSW-HOCLYGCPSA-N 0 3 310.869 3.149 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CCNCC(=C)Cl ZINC001479515421 1184263792 /nfs/dbraw/zinc/26/37/92/1184263792.db2.gz HBWYASHXULUKSW-GDBMZVCRSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001479564934 1184269879 /nfs/dbraw/zinc/26/98/79/1184269879.db2.gz RZWVBFQRYZLXHX-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC)c1ccccc1 ZINC001479647423 1184284336 /nfs/dbraw/zinc/28/43/36/1184284336.db2.gz OPGYBKAYRZIXOD-YZGWKJHDSA-N 0 3 324.468 3.339 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)CCCC[C@H](C)CC)C[C@@H]2C1 ZINC001479667020 1184286297 /nfs/dbraw/zinc/28/62/97/1184286297.db2.gz IMQIZSMQTGXGEJ-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccsc1COC ZINC001479736285 1184306684 /nfs/dbraw/zinc/30/66/84/1184306684.db2.gz YUIQPPYABKSDCP-AWEZNQCLSA-N 0 3 322.474 3.007 20 30 DGEDHN C#CCN(CCCNC(=O)Cc1ccc(C2CCC2)cc1)C1CC1 ZINC001479873720 1184360423 /nfs/dbraw/zinc/36/04/23/1184360423.db2.gz DUSFESIJHHVUGN-UHFFFAOYSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc(C)c(CC)s1)C1CC1 ZINC001479879183 1184362586 /nfs/dbraw/zinc/36/25/86/1184362586.db2.gz AMEBPYVXZMHVKT-UHFFFAOYSA-N 0 3 318.486 3.227 20 30 DGEDHN C=CCOCCN1CCC(N(C)C(=O)CC2CCCCC2)CC1 ZINC001479882090 1184363710 /nfs/dbraw/zinc/36/37/10/1184363710.db2.gz GPMDSJHMPZGVSO-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001479905667 1184373633 /nfs/dbraw/zinc/37/36/33/1184373633.db2.gz TZVDBHCKCWMOKQ-AJNOYIKESA-N 0 3 316.420 3.386 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479952000 1184388474 /nfs/dbraw/zinc/38/84/74/1184388474.db2.gz CEJSQQQJGFAOID-IAGOWNOFSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001479984407 1184403377 /nfs/dbraw/zinc/40/33/77/1184403377.db2.gz CDRZRGWFKFYXNK-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001479988401 1184404350 /nfs/dbraw/zinc/40/43/50/1184404350.db2.gz PIVHJXQIABCGOB-IRXDYDNUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1cc2ccccc2o1)C1CC1 ZINC001480007116 1184409302 /nfs/dbraw/zinc/40/93/02/1184409302.db2.gz BFLQYSCBLKFEQK-KRWDZBQOSA-N 0 3 312.413 3.383 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](N[C@@H](C)c1ccccc1F)C1CC1 ZINC001480016353 1184412124 /nfs/dbraw/zinc/41/21/24/1184412124.db2.gz PFYUOLPSOJWRJP-KBXCAEBGSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001480095080 1184433259 /nfs/dbraw/zinc/43/32/59/1184433259.db2.gz UKZMNVOKSRUQJE-ZXXIGWHRSA-N 0 3 302.462 3.062 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(F)F ZINC001480093501 1184433366 /nfs/dbraw/zinc/43/33/66/1184433366.db2.gz QXNBPQYHOGJPBX-ZNMIVQPWSA-N 0 3 312.404 3.063 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C ZINC001480101679 1184435940 /nfs/dbraw/zinc/43/59/40/1184435940.db2.gz SNVKUFXSTBHSFW-WNRNVDISSA-N 0 3 322.493 3.057 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C ZINC001480101677 1184436013 /nfs/dbraw/zinc/43/60/13/1184436013.db2.gz SNVKUFXSTBHSFW-FJIDUMEYSA-N 0 3 322.493 3.057 20 30 DGEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC001480176920 1184453180 /nfs/dbraw/zinc/45/31/80/1184453180.db2.gz ARNWUOVBIRLSFD-AYHJJNSGSA-N 0 3 316.420 3.404 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001480211178 1184460398 /nfs/dbraw/zinc/46/03/98/1184460398.db2.gz OTNPYRXEGHKLQX-HNQCBELMSA-N 0 3 322.811 3.218 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001480240684 1184468297 /nfs/dbraw/zinc/46/82/97/1184468297.db2.gz ZYKYPZLVBWEZRT-RRQGHBQHSA-N 0 3 320.864 3.163 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001480335705 1184497654 /nfs/dbraw/zinc/49/76/54/1184497654.db2.gz UOLZKXNUJSCRHU-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2ccsc2)CCCC1 ZINC001480603057 1184558080 /nfs/dbraw/zinc/55/80/80/1184558080.db2.gz AKKLHOKBOOQQRP-CQSZACIVSA-N 0 3 306.475 3.479 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001480620720 1184561208 /nfs/dbraw/zinc/56/12/08/1184561208.db2.gz VQVQDWHFULOXJQ-INIZCTEOSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](NCc3ccsc3)C2)CCC1 ZINC001480620181 1184561689 /nfs/dbraw/zinc/56/16/89/1184561689.db2.gz UGTJADIYMDFLGS-HNNXBMFYSA-N 0 3 304.459 3.185 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(C)c1ccccc1 ZINC001480807834 1184613106 /nfs/dbraw/zinc/61/31/06/1184613106.db2.gz SZPABXDUOFBXSN-CQSZACIVSA-N 0 3 308.853 3.201 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(F)cc1Cl ZINC001480811048 1184614780 /nfs/dbraw/zinc/61/47/80/1184614780.db2.gz XFAPJTPTGLMTEP-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H](CC)SC ZINC001480819741 1184618565 /nfs/dbraw/zinc/61/85/65/1184618565.db2.gz BVNJIOBWUUQTJY-KGLIPLIRSA-N 0 3 318.914 3.241 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(Cl)c2occc21 ZINC001493044067 1184637856 /nfs/dbraw/zinc/63/78/56/1184637856.db2.gz WHFDLTKRDLULSL-UHFFFAOYSA-N 0 3 306.793 3.324 20 30 DGEDHN O=C(C#CC1CC1)NC[C@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC001493098207 1184650401 /nfs/dbraw/zinc/65/04/01/1184650401.db2.gz OAEFKAQQIGURLI-HXUWFJFHSA-N 0 3 322.452 3.058 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001493235865 1184673355 /nfs/dbraw/zinc/67/33/55/1184673355.db2.gz YNKLWFZWPUANMU-QFBILLFUSA-N 0 3 318.436 3.366 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)C)Cc1ccc(F)cc1C ZINC001493290086 1184682787 /nfs/dbraw/zinc/68/27/87/1184682787.db2.gz YRDOJDYYDSGACZ-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCNCc2cc(F)ccc2C)C1 ZINC001493691948 1184727128 /nfs/dbraw/zinc/72/71/28/1184727128.db2.gz SMSMSMJFAITFRA-UHFFFAOYSA-N 0 3 304.409 3.038 20 30 DGEDHN O=C(C#CC1CC1)N[C@H]1CCCN(CC/C=C/c2ccccc2)C1 ZINC001494316873 1184853349 /nfs/dbraw/zinc/85/33/49/1184853349.db2.gz SQEDDTYBEFHVKS-ZTJJKMQJSA-N 0 3 322.452 3.084 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN([C@H](C)COC)C2)CCCCC1 ZINC001494330328 1184857261 /nfs/dbraw/zinc/85/72/61/1184857261.db2.gz FSUFUBBMIQQNOA-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001494578083 1184889140 /nfs/dbraw/zinc/88/91/40/1184889140.db2.gz XSAITOWIYUWUHR-OAHLLOKOSA-N 0 3 300.446 3.398 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN(CCc2ccc(C)cc2)C1 ZINC001494584546 1184891144 /nfs/dbraw/zinc/89/11/44/1184891144.db2.gz SPWVINBTVUVPRH-QGZVFWFLSA-N 0 3 314.473 3.188 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(CC/C=C\c3ccccc3)C2)C1 ZINC001494593135 1184891783 /nfs/dbraw/zinc/89/17/83/1184891783.db2.gz OFRXUDCJUIZUNV-POHAHGRESA-N 0 3 324.468 3.494 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1F ZINC001494654649 1184900734 /nfs/dbraw/zinc/90/07/34/1184900734.db2.gz SUSMBVVRYMDYHU-PMPSAXMXSA-N 0 3 316.420 3.388 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001494914572 1184960895 /nfs/dbraw/zinc/96/08/95/1184960895.db2.gz UOIXKEIVKZFULZ-HKUYNNGSSA-N 0 3 312.457 3.045 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001494948305 1184969330 /nfs/dbraw/zinc/96/93/30/1184969330.db2.gz BUKDSBKXTNGJEH-HKUYNNGSSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCC#Cc2ccccc2)CCC1 ZINC001495050078 1184986713 /nfs/dbraw/zinc/98/67/13/1184986713.db2.gz NDSWFRPELYSBCX-LJQANCHMSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C(F)=C1CCCC1)C1CC1 ZINC001495237469 1185016345 /nfs/dbraw/zinc/01/63/45/1185016345.db2.gz AAZDIWZHDGKQCD-MRXNPFEDSA-N 0 3 314.832 3.411 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc[nH]c1CCC)C1CC1 ZINC001495278792 1185020900 /nfs/dbraw/zinc/02/09/00/1185020900.db2.gz JEJBUFGCUFEANM-KRWDZBQOSA-N 0 3 323.868 3.208 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001495346793 1185036469 /nfs/dbraw/zinc/03/64/69/1185036469.db2.gz MXEBORFOXAXECV-WCVJEAGWSA-N 0 3 310.869 3.003 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cccn2C(C)C)cc1 ZINC001495498255 1185065071 /nfs/dbraw/zinc/06/50/71/1185065071.db2.gz RBYOGZMWRFQIQP-UHFFFAOYSA-N 0 3 323.440 3.112 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)CNCc2ncc(C)s2)CC1 ZINC001495732786 1185095688 /nfs/dbraw/zinc/09/56/88/1185095688.db2.gz BDJRCFBETUJZBR-ZDUSSCGKSA-N 0 3 321.490 3.040 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001495915447 1185113266 /nfs/dbraw/zinc/11/32/66/1185113266.db2.gz SKNVYQKEBMOGBM-UHFFFAOYSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001496136951 1185138821 /nfs/dbraw/zinc/13/88/21/1185138821.db2.gz CBYRRSXYOMROTA-IUODEOHRSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cncs2)CCCC1 ZINC001496252116 1185155224 /nfs/dbraw/zinc/15/52/24/1185155224.db2.gz YWWRCMGDNYSGHO-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1CC=CC1 ZINC001496261481 1185156329 /nfs/dbraw/zinc/15/63/29/1185156329.db2.gz DFVNUIFCXNANBM-FQEVSTJZSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001496403081 1185181592 /nfs/dbraw/zinc/18/15/92/1185181592.db2.gz GHCHHYZNOLVUET-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001496413371 1185183145 /nfs/dbraw/zinc/18/31/45/1185183145.db2.gz ZQQPLJHLPGKRPS-HNNXBMFYSA-N 0 3 310.869 3.290 20 30 DGEDHN CCC(CC)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001496533694 1185208822 /nfs/dbraw/zinc/20/88/22/1185208822.db2.gz NSADDFDOUCHFJV-IBGZPJMESA-N 0 3 314.473 3.205 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C#CC(C)(C)C)NCC=C(Cl)Cl ZINC001496560072 1185214234 /nfs/dbraw/zinc/21/42/34/1185214234.db2.gz ZBYMZSHDTDNMIZ-GFCCVEGCSA-N 0 3 319.276 3.085 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1cccs1)C(C)C ZINC001496634491 1185224040 /nfs/dbraw/zinc/22/40/40/1185224040.db2.gz BSLJFLXIRKTMNE-AWEZNQCLSA-N 0 3 314.882 3.164 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001496691436 1185232983 /nfs/dbraw/zinc/23/29/83/1185232983.db2.gz BIPDEUROUKNIHN-GOSISDBHSA-N 0 3 316.420 3.007 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c(s1)CCCC2 ZINC001496832236 1185255723 /nfs/dbraw/zinc/25/57/23/1185255723.db2.gz ZNWBMCXULUHLSM-UHFFFAOYSA-N 0 3 306.475 3.207 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC001496837402 1185256164 /nfs/dbraw/zinc/25/61/64/1185256164.db2.gz GEEGHTCBCYSISY-IEBWSBKVSA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001496864053 1185260413 /nfs/dbraw/zinc/26/04/13/1185260413.db2.gz SBXYFABNFSAPFG-CZPJPAAGSA-N 0 3 322.880 3.245 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)cc(Cl)c1 ZINC001497232235 1185300664 /nfs/dbraw/zinc/30/06/64/1185300664.db2.gz YJDRKOYYGCLDQC-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001497241153 1185301680 /nfs/dbraw/zinc/30/16/80/1185301680.db2.gz LTYYJAMCPHDHOF-HNNXBMFYSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCNCc2oc(C)nc2C)CC1 ZINC001497266394 1185305987 /nfs/dbraw/zinc/30/59/87/1185305987.db2.gz YSEVCKPDAKDNRW-CYBMUJFWSA-N 0 3 319.449 3.022 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1ccc(C)cc1 ZINC001497488371 1185341936 /nfs/dbraw/zinc/34/19/36/1185341936.db2.gz ZQVRJIFFJGVHOE-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266587 1193347686 /nfs/dbraw/zinc/34/76/86/1193347686.db2.gz PEXAJRGRVJOPNR-HYVNUMGLSA-N 0 3 311.429 3.397 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(F)c(Cl)c1 ZINC001497648876 1185368520 /nfs/dbraw/zinc/36/85/20/1185368520.db2.gz CUVSPBAWCJRENQ-WAYWQWQTSA-N 0 3 324.827 3.453 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1csc(C)c1 ZINC001497683958 1185375907 /nfs/dbraw/zinc/37/59/07/1185375907.db2.gz AUVKIAUXKXSFOQ-VOTSOKGWSA-N 0 3 306.475 3.421 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001498037771 1185428354 /nfs/dbraw/zinc/42/83/54/1185428354.db2.gz BPHSJGRYJBKODC-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001498101890 1185435783 /nfs/dbraw/zinc/43/57/83/1185435783.db2.gz SRKMHMOZBJWXNB-STQMWFEESA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(Cl)cs1 ZINC001498620765 1185524502 /nfs/dbraw/zinc/52/45/02/1185524502.db2.gz HZJRDECVVOCKOI-UHFFFAOYSA-N 0 3 307.246 3.206 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1CC/C=C/c1ccccc1 ZINC001498966191 1185580133 /nfs/dbraw/zinc/58/01/33/1185580133.db2.gz CHWJAHUQAQRIAX-BEBFYNPSSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001499102693 1185611526 /nfs/dbraw/zinc/61/15/26/1185611526.db2.gz WPXITQPWUXRMQX-CVEARBPZSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1Cl ZINC001499100942 1185612504 /nfs/dbraw/zinc/61/25/04/1185612504.db2.gz BDZGKLVNAOIICV-AWEZNQCLSA-N 0 3 320.864 3.384 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001499919302 1185717265 /nfs/dbraw/zinc/71/72/65/1185717265.db2.gz QZPDPWGLZIYHTI-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001499985636 1185728061 /nfs/dbraw/zinc/72/80/61/1185728061.db2.gz XLTPRIBQECVFIQ-HJWRWDBZSA-N 0 3 324.468 3.169 20 30 DGEDHN C#CCN(C(=O)c1ccsc1)C1CCN(CC=C(C)C)CC1 ZINC001500023816 1185732119 /nfs/dbraw/zinc/73/21/19/1185732119.db2.gz VCXVHMUHQQRGTM-UHFFFAOYSA-N 0 3 316.470 3.254 20 30 DGEDHN C#CCN(C(=O)c1ccccc1CC)C1CCN(CC(=C)C)CC1 ZINC001500048884 1185733649 /nfs/dbraw/zinc/73/36/49/1185733649.db2.gz XMGBQZQHUPDJCF-UHFFFAOYSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCCCC1(C)C)C1CCN(CC=C)CC1 ZINC001500060064 1185736471 /nfs/dbraw/zinc/73/64/71/1185736471.db2.gz LOQGMNXIGKAFLE-GOSISDBHSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001500227708 1185762094 /nfs/dbraw/zinc/76/20/94/1185762094.db2.gz MZGUTKGRNKBVPK-LJQANCHMSA-N 0 3 318.436 3.260 20 30 DGEDHN CC#CCCCC(=O)N[C@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001500251578 1185764995 /nfs/dbraw/zinc/76/49/95/1185764995.db2.gz SFHJJYOSQIKMQV-QYFOZDBKSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001500351971 1185777735 /nfs/dbraw/zinc/77/77/35/1185777735.db2.gz LDSMIGSTOIMTFU-ODDCISTRSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001500351972 1185778050 /nfs/dbraw/zinc/77/80/50/1185778050.db2.gz LDSMIGSTOIMTFU-XETPBLJFSA-N 0 3 319.276 3.490 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(CC)s2)C1 ZINC001500508569 1185811555 /nfs/dbraw/zinc/81/15/55/1185811555.db2.gz KBDZUZIGVALZLS-SFHVURJKSA-N 0 3 318.486 3.166 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(F)c2Cl)C1 ZINC001500529626 1185816083 /nfs/dbraw/zinc/81/60/83/1185816083.db2.gz IWDLDPJYNAASMK-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001500613500 1185828103 /nfs/dbraw/zinc/82/81/03/1185828103.db2.gz JCNDXGOZTCJTBO-KBPBESRZSA-N 0 3 302.409 3.072 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001500616900 1185829047 /nfs/dbraw/zinc/82/90/47/1185829047.db2.gz LZGNZVYNMRLDMQ-ZDUSSCGKSA-N 0 3 302.409 3.071 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C=C(CC)CC)C2)CC1 ZINC001501016212 1185855717 /nfs/dbraw/zinc/85/57/17/1185855717.db2.gz VHKWEPLCDZEAEZ-IBGZPJMESA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1CC(F)(F)C1)c1ccccc1CC ZINC001501019224 1185856848 /nfs/dbraw/zinc/85/68/48/1185856848.db2.gz NANOVFICCDRADK-INIZCTEOSA-N 0 3 322.399 3.227 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC1(C)C ZINC001501198175 1185882882 /nfs/dbraw/zinc/88/28/82/1185882882.db2.gz XZLBHDPTVLAIFQ-GOSISDBHSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ncccc1C ZINC001501661441 1185917347 /nfs/dbraw/zinc/91/73/47/1185917347.db2.gz XDNKCOPRMGSYKN-UHFFFAOYSA-N 0 3 323.440 3.328 20 30 DGEDHN CC/C(C)=C\C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001501948097 1185940687 /nfs/dbraw/zinc/94/06/87/1185940687.db2.gz BVOAXHLSIOSMKK-LCYFTJDESA-N 0 3 317.458 3.105 20 30 DGEDHN CC/C(C)=C/C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001501948098 1185940948 /nfs/dbraw/zinc/94/09/48/1185940948.db2.gz BVOAXHLSIOSMKK-UKTHLTGXSA-N 0 3 317.458 3.105 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(Cl)nc2)CCC1 ZINC001501987984 1185943658 /nfs/dbraw/zinc/94/36/58/1185943658.db2.gz BETJCHREGDQZDN-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CC[C@@H]2CCc3ccccc32)CC1 ZINC001502147181 1185962857 /nfs/dbraw/zinc/96/28/57/1185962857.db2.gz DKHFRCSZVVPHNA-RBUKOAKNSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1csc2ccccc12 ZINC001502358542 1185973267 /nfs/dbraw/zinc/97/32/67/1185973267.db2.gz PQVXLGVBYKSWAK-UHFFFAOYSA-N 0 3 314.454 3.319 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001502373788 1185976529 /nfs/dbraw/zinc/97/65/29/1185976529.db2.gz WUSLQMZIHFKOKX-KRWDZBQOSA-N 0 3 314.473 3.156 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC=C ZINC001502532291 1185992401 /nfs/dbraw/zinc/99/24/01/1185992401.db2.gz NPPFHSUVQDPNJP-LJQANCHMSA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cccc(C)c2)C(C)(C)C1 ZINC001502830507 1186020093 /nfs/dbraw/zinc/02/00/93/1186020093.db2.gz IQRHNNLBLQVEQM-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc(C(C)C)s1 ZINC001503667909 1186049935 /nfs/dbraw/zinc/04/99/35/1186049935.db2.gz MQBHIQGRYRWHLZ-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2cc(C)ccc2o1 ZINC001505466427 1186090564 /nfs/dbraw/zinc/09/05/64/1186090564.db2.gz YQIXEYPBCCKNDE-MRXNPFEDSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001505503471 1186095640 /nfs/dbraw/zinc/09/56/40/1186095640.db2.gz IIEHFIOWAJDDPD-PCKAHOCUSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1ccccc1F ZINC001505615281 1186114254 /nfs/dbraw/zinc/11/42/54/1186114254.db2.gz VHUNWBPWJYRMMC-UONOGXRCSA-N 0 3 306.425 3.411 20 30 DGEDHN C=CCCC(=O)N(C)C1CCC(NCc2nc(C)cs2)CC1 ZINC001505775284 1186137987 /nfs/dbraw/zinc/13/79/87/1186137987.db2.gz RGPOGELELYLIQK-UHFFFAOYSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCc1c(F)cccc1F ZINC001505979524 1186174082 /nfs/dbraw/zinc/17/40/82/1186174082.db2.gz XSBHRSCZBJPPJC-CYBMUJFWSA-N 0 3 324.415 3.156 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001505995024 1186177577 /nfs/dbraw/zinc/17/75/77/1186177577.db2.gz QCIGJUYEIFGGRY-BEFAXECRSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001506012733 1186181997 /nfs/dbraw/zinc/18/19/97/1186181997.db2.gz LSOOMUIRABIYOD-KBPBESRZSA-N 0 3 308.853 3.141 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)CSC)CCCCC1 ZINC001506501936 1186235263 /nfs/dbraw/zinc/23/52/63/1186235263.db2.gz XOIAFGXYJDCYEH-GFCCVEGCSA-N 0 3 318.914 3.147 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001506577612 1186255218 /nfs/dbraw/zinc/25/52/18/1186255218.db2.gz AEETWDPFJWMHSA-MJGOQNOKSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001506648604 1186268484 /nfs/dbraw/zinc/26/84/84/1186268484.db2.gz FKYPGHFHXULPSV-QGZVFWFLSA-N 0 3 314.473 3.167 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001506660358 1186270818 /nfs/dbraw/zinc/27/08/18/1186270818.db2.gz RDWHDBNOVYGMMQ-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC/C=C/c2ccccc2)C(C)(C)C1 ZINC001506746636 1186285213 /nfs/dbraw/zinc/28/52/13/1186285213.db2.gz MTHSHXSHFUKPEC-HCWHUNCVSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]21 ZINC001506773954 1186291428 /nfs/dbraw/zinc/29/14/28/1186291428.db2.gz MAXBDHBOUTXEQU-OSYLJGHBSA-N 0 3 318.848 3.100 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H](C=C)c3ccccc3)C2)C1 ZINC001506865859 1186299462 /nfs/dbraw/zinc/29/94/62/1186299462.db2.gz QUOAVWFIRGKPBS-GOSISDBHSA-N 0 3 324.468 3.457 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)CC1(C)CC1 ZINC001506930282 1186315480 /nfs/dbraw/zinc/31/54/80/1186315480.db2.gz JHURJXWHMLYJSG-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)C2(C)CCC2)CC1 ZINC001506960533 1186327663 /nfs/dbraw/zinc/32/76/63/1186327663.db2.gz ORTCVIULLQDMKV-UHFFFAOYSA-N 0 3 324.468 3.151 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](NC(=O)C1CC1)c1ccccc1 ZINC001506980610 1186333346 /nfs/dbraw/zinc/33/33/46/1186333346.db2.gz WJIUSSFVIXHWOZ-MRXNPFEDSA-N 0 3 306.837 3.376 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001507147058 1186372702 /nfs/dbraw/zinc/37/27/02/1186372702.db2.gz IVBIDZXGHIRVJI-OAHLLOKOSA-N 0 3 300.446 3.058 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@H]1C ZINC001507280390 1186380765 /nfs/dbraw/zinc/38/07/65/1186380765.db2.gz MLTXVKYEDMNTBX-UKRRQHHQSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3cc2F)C1 ZINC001507322294 1186390286 /nfs/dbraw/zinc/39/02/86/1186390286.db2.gz YMQPJUYKHZTAOP-RHSMWYFYSA-N 0 3 324.399 3.195 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccnc1)CC2 ZINC001507343626 1186397336 /nfs/dbraw/zinc/39/73/36/1186397336.db2.gz IEBFJIYTBUNWIK-PKOBYXMFSA-N 0 3 313.445 3.051 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCCc3ccccc3)CCC[C@H]12 ZINC001507348896 1186398931 /nfs/dbraw/zinc/39/89/31/1186398931.db2.gz QEYNZBQXOXNORL-FPOVZHCZSA-N 0 3 324.468 3.146 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](CC)Cc3ccccc3)CCC[C@H]12 ZINC001507350675 1186400611 /nfs/dbraw/zinc/40/06/11/1186400611.db2.gz PIBIKQOVQSGOTG-IRFCIJBXSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccc(C)cc2)[C@@H]1C ZINC001507384420 1186412233 /nfs/dbraw/zinc/41/22/33/1186412233.db2.gz QJAZEJXGWCKDIT-PKOBYXMFSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cnn(C(C)C)c1C)C(C)C ZINC001507854136 1186450780 /nfs/dbraw/zinc/45/07/80/1186450780.db2.gz HQXHMTVUHHCTAK-UHFFFAOYSA-N 0 3 320.481 3.131 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C23CCC(CC2)C3)c(F)c1 ZINC001508237056 1186492810 /nfs/dbraw/zinc/49/28/10/1186492810.db2.gz ZKRWVBASWXNWKD-UHFFFAOYSA-N 0 3 316.420 3.298 20 30 DGEDHN N#CC(C(=O)[C@H]1CC12CCC2)c1nccn1Cc1ccccc1 ZINC001515834232 1186771882 /nfs/dbraw/zinc/77/18/82/1186771882.db2.gz CAQPVQAHINGJFT-JKSUJKDBSA-N 0 3 305.381 3.298 20 30 DGEDHN C[C@H]1CCCN(C(C)(C)CNc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC001611908253 1193443242 /nfs/dbraw/zinc/44/32/42/1193443242.db2.gz AZSXOXYNFUGJHD-NSHDSACASA-N 0 3 322.434 3.450 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(CC)CC(C)C ZINC001516048142 1186776554 /nfs/dbraw/zinc/77/65/54/1186776554.db2.gz YESCTWJCAQSUFT-INIZCTEOSA-N 0 3 319.497 3.146 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(OC)cc1 ZINC001517063917 1186800485 /nfs/dbraw/zinc/80/04/85/1186800485.db2.gz ADPXCXQDAQDJAE-INIZCTEOSA-N 0 3 311.385 3.111 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1sc(C(C)(C)C)nc1C ZINC001517064338 1186800589 /nfs/dbraw/zinc/80/05/89/1186800589.db2.gz JINOOCQNCIQVCD-NSHDSACASA-N 0 3 316.430 3.456 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCc1ccccc1F ZINC001517065426 1186801530 /nfs/dbraw/zinc/80/15/30/1186801530.db2.gz XYKAVQJKPMJENX-UKRRQHHQSA-N 0 3 313.376 3.487 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1c[nH]c2ccccc12 ZINC001517065422 1186801599 /nfs/dbraw/zinc/80/15/99/1186801599.db2.gz XXFUIUVMXNSYCC-HNNXBMFYSA-N 0 3 306.369 3.193 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001517122978 1186802564 /nfs/dbraw/zinc/80/25/64/1186802564.db2.gz KRJFPYIEWGCCJG-QWRGUYRKSA-N 0 3 317.776 3.352 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001517122976 1186802869 /nfs/dbraw/zinc/80/28/69/1186802869.db2.gz KRJFPYIEWGCCJG-MNOVXSKESA-N 0 3 317.776 3.352 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC001521900978 1187056736 /nfs/dbraw/zinc/05/67/36/1187056736.db2.gz WTBOPPLLSYTQEU-DZGCQCFKSA-N 0 3 302.409 3.322 20 30 DGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC001522843515 1187108138 /nfs/dbraw/zinc/10/81/38/1187108138.db2.gz TXDHLPCUWNAJIY-KGXJWFGYSA-N 0 3 324.211 3.071 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc(N)c3ccccc3n2)cc1C ZINC001524677660 1187259751 /nfs/dbraw/zinc/25/97/51/1187259751.db2.gz LRBNRUXUIJRMBE-HNNXBMFYSA-N 0 3 316.364 3.319 20 30 DGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC001525461965 1187315906 /nfs/dbraw/zinc/31/59/06/1187315906.db2.gz GOBULLZMUNIDTL-FGTAOJJYSA-N 0 3 324.424 3.036 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001526587362 1187376472 /nfs/dbraw/zinc/37/64/72/1187376472.db2.gz NLCYHYZIGATTJO-HQJQHLMTSA-N 0 3 320.607 3.224 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001526587361 1187376666 /nfs/dbraw/zinc/37/66/66/1187376666.db2.gz NLCYHYZIGATTJO-CPCISQLKSA-N 0 3 320.607 3.224 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001526593851 1187377240 /nfs/dbraw/zinc/37/72/40/1187377240.db2.gz JTHWLIRJGAHSAN-SDDRHHMPSA-N 0 3 313.323 3.448 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001526595017 1187377355 /nfs/dbraw/zinc/37/73/55/1187377355.db2.gz ULOSJJGXZOPSSK-CZUORRHYSA-N 0 3 311.385 3.282 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](CC#N)c1ccccc1 ZINC001526594926 1187377387 /nfs/dbraw/zinc/37/73/87/1187377387.db2.gz SAONEHMTJZRNOE-HOTGVXAUSA-N 0 3 306.369 3.167 20 30 DGEDHN C[C@@H]1CCC[C@@H](CCN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC001615163758 1193516444 /nfs/dbraw/zinc/51/64/44/1193516444.db2.gz DFBNHADCFCXBKZ-SJORKVTESA-N 0 3 312.461 3.292 20 30 DGEDHN COCCN(CCSC(F)(F)F)Cc1ccc(C#N)cc1 ZINC001615411209 1193521998 /nfs/dbraw/zinc/52/19/98/1193521998.db2.gz NCBJBCQURBRZIS-UHFFFAOYSA-N 0 3 318.364 3.260 20 30 DGEDHN C=CC(C)(C)CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC001656773660 1196070665 /nfs/dbraw/zinc/07/06/65/1196070665.db2.gz UGANURCWQPLSOB-UHFFFAOYSA-N 0 3 324.490 3.019 20 30 DGEDHN C#CCN(CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC001617790695 1193581157 /nfs/dbraw/zinc/58/11/57/1193581157.db2.gz APTYQTVLDDYUNL-UHFFFAOYSA-N 0 3 304.393 3.463 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)C/C=C\Cl)C2)C1 ZINC001566743139 1188966613 /nfs/dbraw/zinc/96/66/13/1188966613.db2.gz JKNUBFCCDYYDPF-PKYBCLHXSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001565824284 1188979938 /nfs/dbraw/zinc/97/99/38/1188979938.db2.gz GXOAFAVDVPGWLC-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2cccc(F)c2o1 ZINC001556466638 1189003102 /nfs/dbraw/zinc/00/31/02/1189003102.db2.gz HFKVGUHJDMMACH-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN CN1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C(C)(C)C ZINC001559956235 1189262937 /nfs/dbraw/zinc/26/29/37/1189262937.db2.gz QMRNWNUGUMMMGI-QGZVFWFLSA-N 0 3 304.865 3.354 20 30 DGEDHN Cc1ccc(CNCc2ccc(-n3cccn3)cc2)cc1C#N ZINC001560585859 1189344702 /nfs/dbraw/zinc/34/47/02/1189344702.db2.gz PGACVIQAKNUSPU-UHFFFAOYSA-N 0 3 302.381 3.342 20 30 DGEDHN C#CCN1CCC[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC001561006728 1189419307 /nfs/dbraw/zinc/41/93/07/1189419307.db2.gz ZHCQOSIPDGNVNR-ZDUSSCGKSA-N 0 3 302.805 3.273 20 30 DGEDHN O[C@@H]1CCCN(CC#Cc2ccccc2)[C@@H]1CCc1ccccc1 ZINC001561016933 1189421685 /nfs/dbraw/zinc/42/16/85/1189421685.db2.gz LBGVLBZCXBAISB-FGZHOGPDSA-N 0 3 319.448 3.496 20 30 DGEDHN C[C@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CCOCC1 ZINC001561044656 1189425958 /nfs/dbraw/zinc/42/59/58/1189425958.db2.gz JQEMNMGMXOFIMM-OAHLLOKOSA-N 0 3 311.429 3.399 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001563462387 1189514784 /nfs/dbraw/zinc/51/47/84/1189514784.db2.gz VAOQGVWASWLQFO-SFHVURJKSA-N 0 3 315.461 3.089 20 30 DGEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC001563853367 1189538425 /nfs/dbraw/zinc/53/84/25/1189538425.db2.gz AVPXTDZZTQYQJN-IAGOWNOFSA-N 0 3 321.509 3.093 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(OC)c1 ZINC001565822192 1189676884 /nfs/dbraw/zinc/67/68/84/1189676884.db2.gz ZWXWTFJAYVIHTD-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001565829462 1189680523 /nfs/dbraw/zinc/68/05/23/1189680523.db2.gz GWUXIWQYOHRWDL-LSDHHAIUSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001565827470 1189680534 /nfs/dbraw/zinc/68/05/34/1189680534.db2.gz CGUSKFHMJGEZOK-NSHGMRRFSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001565835805 1189685676 /nfs/dbraw/zinc/68/56/76/1189685676.db2.gz VDWBDEXKBIAFFK-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001565998467 1189712484 /nfs/dbraw/zinc/71/24/84/1189712484.db2.gz YESIWIVIZBAKRH-KWKXDFPYSA-N 0 3 322.880 3.264 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H]1CC ZINC001566012432 1189716572 /nfs/dbraw/zinc/71/65/72/1189716572.db2.gz UEKHAPWHQBRUTR-JKSUJKDBSA-N 0 3 304.459 3.021 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cncc2ccccc21 ZINC001566125167 1189741654 /nfs/dbraw/zinc/74/16/54/1189741654.db2.gz XOXWOYZGRCHFTM-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN CC#CCN(CCCNC(=O)c1occc1C(C)C)C1CC1 ZINC001566594111 1189812414 /nfs/dbraw/zinc/81/24/14/1189812414.db2.gz MYSVHMLFOIRNEA-UHFFFAOYSA-N 0 3 302.418 3.011 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC001566774648 1189896813 /nfs/dbraw/zinc/89/68/13/1189896813.db2.gz LCBXKSCKHVYFEF-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001566792216 1189903931 /nfs/dbraw/zinc/90/39/31/1189903931.db2.gz COQMYHMSMNOUHO-WKILWMFISA-N 0 3 318.436 3.473 20 30 DGEDHN C/C=C(/C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001566818084 1189913117 /nfs/dbraw/zinc/91/31/17/1189913117.db2.gz MVBAOPKYYATJKC-JDHHSFSBSA-N 0 3 323.440 3.136 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001566836408 1189918422 /nfs/dbraw/zinc/91/84/22/1189918422.db2.gz FUTWBFPCXLEBTL-KFWWJZLASA-N 0 3 318.848 3.441 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C3CCC3)CCC2)C1 ZINC001566963433 1189973142 /nfs/dbraw/zinc/97/31/42/1189973142.db2.gz UOSFJRMJZDHCBI-SJORKVTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001567097000 1190029469 /nfs/dbraw/zinc/02/94/69/1190029469.db2.gz YUZSBDKLRMQCSW-INIZCTEOSA-N 0 3 304.409 3.119 20 30 DGEDHN CCCCCC(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001567112707 1190032645 /nfs/dbraw/zinc/03/26/45/1190032645.db2.gz GTHYIOLRFGLGIZ-INIZCTEOSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001567215626 1190075191 /nfs/dbraw/zinc/07/51/91/1190075191.db2.gz CIZZPSMLTDMXRC-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)C/C=C\c2ccccc2)C1 ZINC001567347615 1190143892 /nfs/dbraw/zinc/14/38/92/1190143892.db2.gz JGPSWCMSPSIYJO-FLIBITNWSA-N 0 3 312.457 3.494 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](CC)Cc1ccccc1C ZINC001567382003 1190162231 /nfs/dbraw/zinc/16/22/31/1190162231.db2.gz CTTRTQCYSRUTBM-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001567382267 1190162746 /nfs/dbraw/zinc/16/27/46/1190162746.db2.gz HJJBIZPHKDQMPJ-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001567413475 1190177405 /nfs/dbraw/zinc/17/74/05/1190177405.db2.gz DSIVVWZYUBTMGA-QZTJIDSGSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2occc2s1)C1CC1 ZINC001567448985 1190199081 /nfs/dbraw/zinc/19/90/81/1190199081.db2.gz LYQOWJXLNOYEEQ-UHFFFAOYSA-N 0 3 304.415 3.265 20 30 DGEDHN Cc1ccc(C(=O)N(C)CCNCc2cccc(C#N)c2)cc1C ZINC001567600159 1190223693 /nfs/dbraw/zinc/22/36/93/1190223693.db2.gz AOIIDNMKLRNAEJ-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1conc1C(C)C)c1ccccc1 ZINC001567659851 1190240552 /nfs/dbraw/zinc/24/05/52/1190240552.db2.gz ODDBFTHTQDIMDN-MRXNPFEDSA-N 0 3 313.401 3.045 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1(F)CCCC1)c1ccccc1 ZINC001567660612 1190240849 /nfs/dbraw/zinc/24/08/49/1190240849.db2.gz FJBOIYHGHRZKRP-INIZCTEOSA-N 0 3 304.409 3.292 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001567730343 1190275707 /nfs/dbraw/zinc/27/57/07/1190275707.db2.gz ZSEVHCVSAWZGEQ-CYBMUJFWSA-N 0 3 320.399 3.321 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)C=C(C)C)C1 ZINC001567745410 1190283905 /nfs/dbraw/zinc/28/39/05/1190283905.db2.gz OMNKMEZLNFMVEB-HXUWFJFHSA-N 0 3 324.468 3.469 20 30 DGEDHN CN(CC#Cc1ccccc1)CC1CCN(C(=O)C2CCC2)CC1 ZINC001567745484 1190284065 /nfs/dbraw/zinc/28/40/65/1190284065.db2.gz QOQPRUBGIYDUDC-UHFFFAOYSA-N 0 3 324.468 3.009 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001567769578 1190293363 /nfs/dbraw/zinc/29/33/63/1190293363.db2.gz IRJKSTSOLJJRLG-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001567768536 1190293959 /nfs/dbraw/zinc/29/39/59/1190293959.db2.gz AADUMETYFKNEDO-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001567773680 1190294483 /nfs/dbraw/zinc/29/44/83/1190294483.db2.gz YVGZTXYQYHVSST-ROUUACIJSA-N 0 3 312.457 3.296 20 30 DGEDHN Cc1cccc([C@@H](C)N2CCC[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001567773548 1190294620 /nfs/dbraw/zinc/29/46/20/1190294620.db2.gz ULJJNXPORFHPFE-APWZRJJASA-N 0 3 310.441 3.050 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC(CNC(=O)C#CC(C)(C)C)C2)c1 ZINC001567829720 1190313033 /nfs/dbraw/zinc/31/30/33/1190313033.db2.gz UUVWMYQVIXTXSZ-MRXNPFEDSA-N 0 3 312.457 3.154 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001567856736 1190322963 /nfs/dbraw/zinc/32/29/63/1190322963.db2.gz CMKYWFXAIIEVTB-OALUTQOASA-N 0 3 312.457 3.261 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(F)(F)C1 ZINC001567853692 1190323989 /nfs/dbraw/zinc/32/39/89/1190323989.db2.gz FYEVPQXGPGLHPE-GJZGRUSLSA-N 0 3 314.420 3.287 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001567861881 1190324717 /nfs/dbraw/zinc/32/47/17/1190324717.db2.gz AJXGVTATXQDXHR-HOTGVXAUSA-N 0 3 308.441 3.158 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001567862686 1190325268 /nfs/dbraw/zinc/32/52/68/1190325268.db2.gz QXWUIOXQLVIAMP-QGZVKYPTSA-N 0 3 324.468 3.350 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001567865837 1190327632 /nfs/dbraw/zinc/32/76/32/1190327632.db2.gz AAXHZIBNKUBRKQ-NEWSRXKRSA-N 0 3 310.441 3.041 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001567911822 1190346855 /nfs/dbraw/zinc/34/68/55/1190346855.db2.gz RMINJRBHMFSVGJ-FQEVSTJZSA-N 0 3 324.468 3.400 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2cccs2)C1 ZINC001567945830 1190370534 /nfs/dbraw/zinc/37/05/34/1190370534.db2.gz WVWLXACESKSSIO-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C/C=C(/C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1Cl ZINC001567954895 1190374242 /nfs/dbraw/zinc/37/42/42/1190374242.db2.gz JKPBIUAMXRWUKR-DTIAODDMSA-N 0 3 318.848 3.142 20 30 DGEDHN C/C=C(/C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1Cl ZINC001567954898 1190374256 /nfs/dbraw/zinc/37/42/56/1190374256.db2.gz JKPBIUAMXRWUKR-ZGGPYJKTSA-N 0 3 318.848 3.142 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)C(C)C)NCc1ccc(C#N)s1 ZINC001567961309 1190377906 /nfs/dbraw/zinc/37/79/06/1190377906.db2.gz GMRYZHHQPVAOHE-CYBMUJFWSA-N 0 3 321.490 3.286 20 30 DGEDHN CC[C@@H](CNC(=O)[C@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001567983182 1190387157 /nfs/dbraw/zinc/38/71/57/1190387157.db2.gz VNIYQEQJYWMMIK-RBUKOAKNSA-N 0 3 324.468 3.103 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001567983178 1190387228 /nfs/dbraw/zinc/38/72/28/1190387228.db2.gz VNIYQEQJYWMMIK-MOPGFXCFSA-N 0 3 324.468 3.103 20 30 DGEDHN CC[C@H](CNC(=O)C1CCC=CCC1)NCC#Cc1ccccc1 ZINC001567989812 1190389677 /nfs/dbraw/zinc/38/96/77/1190389677.db2.gz UNYPWQRQYBSRAE-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2ccccc2F)CCCC1 ZINC001567995333 1190392483 /nfs/dbraw/zinc/39/24/83/1190392483.db2.gz MQRJVEGNOXPRBY-UHFFFAOYSA-N 0 3 304.409 3.311 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccc(C)cc2)CCCC1 ZINC001568002559 1190393785 /nfs/dbraw/zinc/39/37/85/1190393785.db2.gz OPEVPSBSLPGKLA-UHFFFAOYSA-N 0 3 320.864 3.309 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)c(C)o1)C1CC1 ZINC001568018329 1190399498 /nfs/dbraw/zinc/39/94/98/1190399498.db2.gz IFASIRVMRLXMGH-MRXNPFEDSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C1CCC(C(=O)N[C@]2(CNCCF)CCCC[C@@H]2C)CC1 ZINC001568039710 1190407092 /nfs/dbraw/zinc/40/70/92/1190407092.db2.gz GDEIHWSHLKUPRW-YJBOKZPZSA-N 0 3 310.457 3.357 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001568187686 1190445742 /nfs/dbraw/zinc/44/57/42/1190445742.db2.gz XDUKCHBFGUUSPW-HNNXBMFYSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccoc2Cl)CCCC1 ZINC001568233875 1190456504 /nfs/dbraw/zinc/45/65/04/1190456504.db2.gz LANBETOANDLVTI-UHFFFAOYSA-N 0 3 317.216 3.318 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC001568237928 1190458287 /nfs/dbraw/zinc/45/82/87/1190458287.db2.gz OYQQAKOPFNQNTM-RRFJBIMHSA-N 0 3 310.869 3.194 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H]1CCCC12CC2 ZINC001568280734 1190471527 /nfs/dbraw/zinc/47/15/27/1190471527.db2.gz BWCGMKKBJOHGCM-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl)CCC1 ZINC001568298324 1190478457 /nfs/dbraw/zinc/47/84/57/1190478457.db2.gz NFTYTBFJAXQQFU-GFCCVEGCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1ncccc1C)CC(C)C ZINC001568335814 1190494701 /nfs/dbraw/zinc/49/47/01/1190494701.db2.gz YJOAZOWQLLPPSQ-INIZCTEOSA-N 0 3 317.477 3.223 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccn1 ZINC001568430488 1190517561 /nfs/dbraw/zinc/51/75/61/1190517561.db2.gz WSAJYGFUDZVLPS-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001568501313 1190551331 /nfs/dbraw/zinc/55/13/31/1190551331.db2.gz IJNRYWIDXZIRLJ-UHFFFAOYSA-N 0 3 311.429 3.262 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)nc2ccccc21 ZINC001568504102 1190552882 /nfs/dbraw/zinc/55/28/82/1190552882.db2.gz UVSKSQYFWDVYNG-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001568504435 1190552928 /nfs/dbraw/zinc/55/29/28/1190552928.db2.gz YQWVTUQMIDTBAM-UHFFFAOYSA-N 0 3 320.502 3.290 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)CCNCc1ccccc1C#N)CC ZINC001568620586 1190569577 /nfs/dbraw/zinc/56/95/77/1190569577.db2.gz RPRFKMCHBQPRLZ-HNNXBMFYSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C(C)C)cn1 ZINC001568678574 1190577689 /nfs/dbraw/zinc/57/76/89/1190577689.db2.gz VEGHZPKKMAWMLQ-CYBMUJFWSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC001568683629 1190578359 /nfs/dbraw/zinc/57/83/59/1190578359.db2.gz XVJNCQIMPJBBER-HUUCEWRRSA-N 0 3 308.853 3.335 20 30 DGEDHN C#CCCCC(=O)N(CC)CCNCc1ccc(Cl)s1 ZINC001568738838 1190584304 /nfs/dbraw/zinc/58/43/04/1190584304.db2.gz CHZWEBYTAQBNCX-UHFFFAOYSA-N 0 3 312.866 3.143 20 30 DGEDHN C=CCCC(=O)NC/C=C\CN[C@H]1CCc2c1cc(F)cc2F ZINC001568825143 1190592219 /nfs/dbraw/zinc/59/22/19/1190592219.db2.gz FQDJUUIGMZXDTI-CHYADLBTSA-N 0 3 320.383 3.180 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccccc1-c1ccccc1 ZINC001568960896 1190602763 /nfs/dbraw/zinc/60/27/63/1190602763.db2.gz WANIYVKBZXRROS-KTKRTIGZSA-N 0 3 318.420 3.253 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001568988685 1190605184 /nfs/dbraw/zinc/60/51/84/1190605184.db2.gz XJNHWJBUTZDYKC-OAHLLOKOSA-N 0 3 312.413 3.221 20 30 DGEDHN Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001569115697 1190628353 /nfs/dbraw/zinc/62/83/53/1190628353.db2.gz OIGODSFITKEHLO-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001569118815 1190629534 /nfs/dbraw/zinc/62/95/34/1190629534.db2.gz HMQXTIDPZODCGK-OAHLLOKOSA-N 0 3 306.425 3.449 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCN[C@@H](C)c1cc(F)ccc1F ZINC001569201324 1190652249 /nfs/dbraw/zinc/65/22/49/1190652249.db2.gz SQFDAFYMHWTERD-AWEZNQCLSA-N 0 3 322.399 3.123 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C(F)F)o1 ZINC001569261885 1190657866 /nfs/dbraw/zinc/65/78/66/1190657866.db2.gz GRBZWIBFDTUAAT-UHFFFAOYSA-N 0 3 306.740 3.021 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001569315181 1190664291 /nfs/dbraw/zinc/66/42/91/1190664291.db2.gz UMPSAVBPSFBENP-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001569350396 1190672825 /nfs/dbraw/zinc/67/28/25/1190672825.db2.gz JYZOKMQKJZBMEB-KRWDZBQOSA-N 0 3 300.446 3.269 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001569365093 1190677858 /nfs/dbraw/zinc/67/78/58/1190677858.db2.gz WGSQSCPQSWZGJX-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001569374708 1190681622 /nfs/dbraw/zinc/68/16/22/1190681622.db2.gz XMDIRYZUVPGHHC-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001569380059 1190685529 /nfs/dbraw/zinc/68/55/29/1190685529.db2.gz NDJCKXVBRPEXMA-NEPJUHHUSA-N 0 3 312.866 3.272 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001569381757 1190686988 /nfs/dbraw/zinc/68/69/88/1190686988.db2.gz WVNGRRJJVDDVLN-CZUORRHYSA-N 0 3 306.837 3.499 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCCCCC)C1 ZINC001569438008 1190698787 /nfs/dbraw/zinc/69/87/87/1190698787.db2.gz HJTNJWUZDQHUFS-ROUUACIJSA-N 0 3 304.478 3.293 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN(C/C=C\Cl)C1CCCCCC1 ZINC001569448437 1190699969 /nfs/dbraw/zinc/69/99/69/1190699969.db2.gz SVNSPVGRQIAEMY-DEBLGDTFSA-N 0 3 311.857 3.040 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCN(C/C=C/Cl)C1CCCCCC1 ZINC001569448438 1190700390 /nfs/dbraw/zinc/70/03/90/1190700390.db2.gz SVNSPVGRQIAEMY-MRZGDXHCSA-N 0 3 311.857 3.040 20 30 DGEDHN C#CCNC[C@@H](NC(=O)CCC=C)c1ccc2ccccc2c1 ZINC001569597408 1190720725 /nfs/dbraw/zinc/72/07/25/1190720725.db2.gz CWKGLADXJVZDNT-LJQANCHMSA-N 0 3 306.409 3.186 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN([C@H](C)c2cccc(OC)c2)C1 ZINC001569631636 1190726554 /nfs/dbraw/zinc/72/65/54/1190726554.db2.gz DYEASWHCQBHLRO-DNVCBOLYSA-N 0 3 316.445 3.303 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001569651704 1190734550 /nfs/dbraw/zinc/73/45/50/1190734550.db2.gz VAMHGVVSDMSXPM-YWZLYKJASA-N 0 3 324.424 3.140 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001569650758 1190734559 /nfs/dbraw/zinc/73/45/59/1190734559.db2.gz HNMHSQWLXYXSLA-TZMCWYRMSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001569654149 1190735132 /nfs/dbraw/zinc/73/51/32/1190735132.db2.gz CCGDVIUGURBOBN-YLJYHZDGSA-N 0 3 314.473 3.330 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001569724122 1190750410 /nfs/dbraw/zinc/75/04/10/1190750410.db2.gz PXIZWMXQYYJIIN-QFBILLFUSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@H](C)CC)C2)CC1 ZINC001569800374 1190755326 /nfs/dbraw/zinc/75/53/26/1190755326.db2.gz QABBZIJVLRCARM-SJLPKXTDSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)C[C@H](C)CC)C2)CC1 ZINC001569800698 1190755437 /nfs/dbraw/zinc/75/54/37/1190755437.db2.gz UDAMGOUPMNELNI-MJGOQNOKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(C(F)F)CC1)c1ccccc1CC ZINC001569800504 1190755713 /nfs/dbraw/zinc/75/57/13/1190755713.db2.gz REXFANHCOHGRMO-HNNXBMFYSA-N 0 3 322.399 3.227 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccc(C)cc1 ZINC001569870992 1190767745 /nfs/dbraw/zinc/76/77/45/1190767745.db2.gz RLORYXXZJFJDOY-UHFFFAOYSA-N 0 3 320.436 3.250 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccsc1 ZINC001569903732 1190770078 /nfs/dbraw/zinc/77/00/78/1190770078.db2.gz AUHFBPIDXRKCAO-JKSUJKDBSA-N 0 3 304.459 3.280 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001569905624 1190771503 /nfs/dbraw/zinc/77/15/03/1190771503.db2.gz XTVFOGTXDNBRIW-RBUKOAKNSA-N 0 3 323.440 3.090 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(Cl)c[nH]1 ZINC001570025694 1190783430 /nfs/dbraw/zinc/78/34/30/1190783430.db2.gz LUPQGERVKDQNNK-UHFFFAOYSA-N 0 3 317.820 3.216 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC001570030414 1190784610 /nfs/dbraw/zinc/78/46/10/1190784610.db2.gz TZTNQFLPLLWSLP-VQIMIIECSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC001570108052 1190797210 /nfs/dbraw/zinc/79/72/10/1190797210.db2.gz JKJLJNWAHYBEMR-RTBURBONSA-N 0 3 324.468 3.222 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001570113927 1190798572 /nfs/dbraw/zinc/79/85/72/1190798572.db2.gz NLXVEDIYLKWVMX-AWEZNQCLSA-N 0 3 306.475 3.479 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccsc2)CCC1 ZINC001570116536 1190799469 /nfs/dbraw/zinc/79/94/69/1190799469.db2.gz CMLGVRGWNHIJNP-INIZCTEOSA-N 0 3 306.475 3.479 20 30 DGEDHN CC#CCNC1(CNC(=O)CCCc2ccc(C)s2)CCC1 ZINC001570129900 1190802313 /nfs/dbraw/zinc/80/23/13/1190802313.db2.gz YBRINUMFWYMAPA-UHFFFAOYSA-N 0 3 318.486 3.031 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2c(C)nsc2C)CC1 ZINC001570171032 1190805747 /nfs/dbraw/zinc/80/57/47/1190805747.db2.gz OLXAQYMKFIKPLV-HNNXBMFYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2oc(C)nc2C)CC1 ZINC001570178058 1190808037 /nfs/dbraw/zinc/80/80/37/1190808037.db2.gz YGFRYQKQJMLBDX-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001570211928 1190822088 /nfs/dbraw/zinc/82/20/88/1190822088.db2.gz MRVPOPSOSSAWEE-UHFFFAOYSA-N 0 3 320.864 3.031 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001570208594 1190822316 /nfs/dbraw/zinc/82/23/16/1190822316.db2.gz LTQCIUAFHYKFNF-INIZCTEOSA-N 0 3 318.436 3.123 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001570220656 1190826361 /nfs/dbraw/zinc/82/63/61/1190826361.db2.gz VNELOSSFYJEFIC-RTBURBONSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2F)C1 ZINC001570341800 1190841535 /nfs/dbraw/zinc/84/15/35/1190841535.db2.gz HIXCMTNECWCIOY-WMLDXEAASA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@H](C)C1 ZINC001570431715 1190856440 /nfs/dbraw/zinc/85/64/40/1190856440.db2.gz NDGSXQSFLGQZGH-WBVHZDCISA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001570437667 1190858100 /nfs/dbraw/zinc/85/81/00/1190858100.db2.gz QDGAQEUUZUBSPD-HIFRSBDPSA-N 0 3 321.490 3.277 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C[C@@H]1C ZINC001570445447 1190860162 /nfs/dbraw/zinc/86/01/62/1190860162.db2.gz LXXJNQZIPYKRQS-KPHVFVAGSA-N 0 3 324.468 3.472 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)CCCF ZINC001570478753 1190868424 /nfs/dbraw/zinc/86/84/24/1190868424.db2.gz WLEFIVIIPRCYFD-GOSISDBHSA-N 0 3 318.436 3.418 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001570545496 1190884957 /nfs/dbraw/zinc/88/49/57/1190884957.db2.gz UIHFROLBRLKIHY-ZFWWWQNUSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cnc(C)s1 ZINC001570625559 1190904828 /nfs/dbraw/zinc/90/48/28/1190904828.db2.gz YPUJSRZJKPIRER-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C)(C)C1CC1 ZINC001570680844 1190916177 /nfs/dbraw/zinc/91/61/77/1190916177.db2.gz LPJBDSBBSKRICW-UHFFFAOYSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001570680485 1190916347 /nfs/dbraw/zinc/91/63/47/1190916347.db2.gz FIMIQDVONCYMNW-ZDUSSCGKSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNCc1nccs1 ZINC001570678850 1190916403 /nfs/dbraw/zinc/91/64/03/1190916403.db2.gz ACPWFTOMSQNZHG-UHFFFAOYSA-N 0 3 323.506 3.320 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001570751686 1190944156 /nfs/dbraw/zinc/94/41/56/1190944156.db2.gz MSJWWSPSBNUIHS-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001570851418 1190965627 /nfs/dbraw/zinc/96/56/27/1190965627.db2.gz AWCDJYDKMWJJLC-AWEZNQCLSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001570864208 1190968467 /nfs/dbraw/zinc/96/84/67/1190968467.db2.gz UONQMGUWKTXXCF-IAGOWNOFSA-N 0 3 314.473 3.186 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cccc(Cl)c2)C(C)(C)C1 ZINC001570900017 1190972830 /nfs/dbraw/zinc/97/28/30/1190972830.db2.gz XMPUBWOOFHCLDU-INIZCTEOSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1nccc2occc21 ZINC001571287304 1190989879 /nfs/dbraw/zinc/98/98/79/1190989879.db2.gz CHTGLIVDINNTBI-LBPRGKRZSA-N 0 3 321.808 3.068 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001571380186 1191008541 /nfs/dbraw/zinc/00/85/41/1191008541.db2.gz JZFWKQIXZXYARF-OLZOCXBDSA-N 0 3 310.388 3.429 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@@H](C)C(C)(C)C)NCc1ccc(C#N)s1 ZINC001571393917 1191012610 /nfs/dbraw/zinc/01/26/10/1191012610.db2.gz ZEYCJMXEUUWTSN-CHWSQXEVSA-N 0 3 321.490 3.238 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001571401719 1191015244 /nfs/dbraw/zinc/01/52/44/1191015244.db2.gz JGVYBFYPINRZBZ-CABCVRRESA-N 0 3 306.425 3.365 20 30 DGEDHN CC(C)CCCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001571407375 1191016732 /nfs/dbraw/zinc/01/67/32/1191016732.db2.gz VQYGGWGQWVLRKW-AWEZNQCLSA-N 0 3 321.490 3.383 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001571411558 1191018365 /nfs/dbraw/zinc/01/83/65/1191018365.db2.gz GHBOIKOVFCGLLS-ZIAGYGMSSA-N 0 3 321.490 3.383 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001571476987 1191027358 /nfs/dbraw/zinc/02/73/58/1191027358.db2.gz LLVGKSNAZNMYGV-NVXWUHKLSA-N 0 3 324.424 3.171 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@H]1C ZINC001571479310 1191028070 /nfs/dbraw/zinc/02/80/70/1191028070.db2.gz OPAKOWKPTUDYIT-CXAGYDPISA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2(CC)CCCC2)[C@@H]1C ZINC001571525324 1191043853 /nfs/dbraw/zinc/04/38/53/1191043853.db2.gz QLWNAJANLVYFBF-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)N(CCN(C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@H](C)C#N ZINC001571610118 1191057154 /nfs/dbraw/zinc/05/71/54/1191057154.db2.gz GWFQPMXUGCVSDR-CABCVRRESA-N 0 3 319.424 3.215 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1sc(C2CC2)nc1C)C(C)C ZINC001571611999 1191057848 /nfs/dbraw/zinc/05/78/48/1191057848.db2.gz UQRRSDYSCRGXTA-UHFFFAOYSA-N 0 3 321.490 3.297 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(OC)cc1C)C(C)C ZINC001571614653 1191059711 /nfs/dbraw/zinc/05/97/11/1191059711.db2.gz OXTHJSWBKYKLGP-UHFFFAOYSA-N 0 3 318.461 3.362 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC001571615081 1191062108 /nfs/dbraw/zinc/06/21/08/1191062108.db2.gz FHDRAKSKGYAJFN-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001571650279 1191074883 /nfs/dbraw/zinc/07/48/83/1191074883.db2.gz LZJKZWKHSFVXKW-IRXDYDNUSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC001571691039 1191083496 /nfs/dbraw/zinc/08/34/96/1191083496.db2.gz XSKBMDZJAVNRIA-LJQANCHMSA-N 0 3 310.441 3.115 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC001574850225 1191454122 /nfs/dbraw/zinc/45/41/22/1191454122.db2.gz WRUFQSITZCJDGC-ONERCXAPSA-N 0 3 322.836 3.364 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC001574857750 1191455053 /nfs/dbraw/zinc/45/50/53/1191455053.db2.gz ZCEBSIUULPKFQH-CYBMUJFWSA-N 0 3 305.765 3.058 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC001574908457 1191457553 /nfs/dbraw/zinc/45/75/53/1191457553.db2.gz OOJKCECGFAUMDK-IRXDYDNUSA-N 0 3 302.418 3.069 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC001574903019 1191458011 /nfs/dbraw/zinc/45/80/11/1191458011.db2.gz JUBNSLHRWCYVKC-UHOFOFEASA-N 0 3 324.852 3.216 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001574973096 1191461777 /nfs/dbraw/zinc/46/17/77/1191461777.db2.gz SEDGFWWJKJABLF-PVAVHDDUSA-N 0 3 318.848 3.223 20 30 DGEDHN CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001575445291 1191483544 /nfs/dbraw/zinc/48/35/44/1191483544.db2.gz SHLKVDLMKLAUPB-MRXNPFEDSA-N 0 3 306.450 3.237 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCc2sccc21 ZINC001618813027 1193753089 /nfs/dbraw/zinc/75/30/89/1193753089.db2.gz BVYVODUILBSPPS-HNNXBMFYSA-N 0 3 306.475 3.134 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1cccc(OCC)c1 ZINC001618814287 1193753278 /nfs/dbraw/zinc/75/32/78/1193753278.db2.gz RPVHFAWEEYLJBP-QXMHVHEDSA-N 0 3 316.445 3.065 20 30 DGEDHN CN(C[C@H]1CC1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001620455688 1193769922 /nfs/dbraw/zinc/76/99/22/1193769922.db2.gz XKAJEDCTKNQLBB-NVXWUHKLSA-N 0 3 311.429 3.032 20 30 DGEDHN CN(C[C@@H]1CC1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001620455687 1193770526 /nfs/dbraw/zinc/77/05/26/1193770526.db2.gz XKAJEDCTKNQLBB-DOTOQJQBSA-N 0 3 311.429 3.032 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@@H]2CCCC[C@@H]12 ZINC001620524162 1193775782 /nfs/dbraw/zinc/77/57/82/1193775782.db2.gz NBVHRJJHUPOVIU-KZNAEPCWSA-N 0 3 303.833 3.317 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN(C)CCc1ccccc1F ZINC001621170440 1193811960 /nfs/dbraw/zinc/81/19/60/1193811960.db2.gz NDGGJFKLDQDKCF-UHFFFAOYSA-N 0 3 311.404 3.438 20 30 DGEDHN COc1ccc2c(c1)CC[C@H](NCc1cccc(F)c1C#N)C2 ZINC001621198575 1193815983 /nfs/dbraw/zinc/81/59/83/1193815983.db2.gz KEEKLUOATLVPLG-INIZCTEOSA-N 0 3 310.372 3.353 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1 ZINC001623745494 1193958010 /nfs/dbraw/zinc/95/80/10/1193958010.db2.gz GCJZXZVBXWKVQC-GOSISDBHSA-N 0 3 307.397 3.384 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001624643573 1194008082 /nfs/dbraw/zinc/00/80/82/1194008082.db2.gz FGSQGRYCBGNIEU-FUHWJXTLSA-N 0 3 300.446 3.225 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)c2c[nH]c3cccc(C#N)c32)c1 ZINC001624806741 1194015513 /nfs/dbraw/zinc/01/55/13/1194015513.db2.gz LJHWDJHHYYZMGC-UHFFFAOYSA-N 0 3 318.380 3.353 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1c(F)cccc1SC ZINC001626750825 1194093792 /nfs/dbraw/zinc/09/37/92/1194093792.db2.gz IQQKQPFXRGUOFA-UHFFFAOYSA-N 0 3 310.438 3.128 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1ccccc1OC ZINC001634640566 1194505940 /nfs/dbraw/zinc/50/59/40/1194505940.db2.gz HWURUUSLAQXYCB-NXVVXOECSA-N 0 3 316.445 3.065 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccsc1C(F)(F)F ZINC001634645874 1194507036 /nfs/dbraw/zinc/50/70/36/1194507036.db2.gz HIARNMYHHRIUGY-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2cccc(F)c2C#N)c(F)c1 ZINC001639071368 1194750005 /nfs/dbraw/zinc/75/00/05/1194750005.db2.gz TWCXAZCTOWRFRI-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001671907436 1194780457 /nfs/dbraw/zinc/78/04/57/1194780457.db2.gz IRFLXDBISQYEDJ-GOEBONIOSA-N 0 3 314.420 3.216 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](C)CC1 ZINC001641637620 1194863850 /nfs/dbraw/zinc/86/38/50/1194863850.db2.gz SHQIZLUMHGVNAV-XNGIKWSVSA-N 0 3 319.493 3.428 20 30 DGEDHN N#CC1(C[C@@H](O)CN[C@H](c2ccc(F)cc2F)C2CC2)CCC1 ZINC001642433744 1194910621 /nfs/dbraw/zinc/91/06/21/1194910621.db2.gz HZOJTYZVYQKREZ-PBHICJAKSA-N 0 3 320.383 3.450 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2ccc(CC#N)cc2)c(F)c1 ZINC001642609429 1194922701 /nfs/dbraw/zinc/92/27/01/1194922701.db2.gz QNKDIISKELYRPD-UHFFFAOYSA-N 0 3 311.360 3.206 20 30 DGEDHN C=CCN(CC(=O)NCc1ccc(OCCC)cc1)C(C)(C)C ZINC001643857421 1195058070 /nfs/dbraw/zinc/05/80/70/1195058070.db2.gz JGPNBPPNZIRPAE-UHFFFAOYSA-N 0 3 318.461 3.378 20 30 DGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cc2cnccc2o1 ZINC001644275399 1195094505 /nfs/dbraw/zinc/09/45/05/1195094505.db2.gz POACKFDFUWUJFB-CYBMUJFWSA-N 0 3 307.353 3.429 20 30 DGEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC2CC=CC2)CC1 ZINC001645475049 1195187767 /nfs/dbraw/zinc/18/77/67/1195187767.db2.gz HLQJODOSZULHJY-SFHVURJKSA-N 0 3 315.848 3.488 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2csc(C)n2)C[C@H]1C ZINC001671230687 1195238825 /nfs/dbraw/zinc/23/88/25/1195238825.db2.gz HDXNQPKVVLGCRR-UKRRQHHQSA-N 0 3 321.490 3.277 20 30 DGEDHN CN(Cc1ccc2ccccc2n1)C[C@@H](O)c1cccc(C#N)c1 ZINC001647114917 1195245672 /nfs/dbraw/zinc/24/56/72/1195245672.db2.gz DSSUAISCGWDQTC-HXUWFJFHSA-N 0 3 317.392 3.272 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001648280009 1195288578 /nfs/dbraw/zinc/28/85/78/1195288578.db2.gz DDGLVFOBDMDTCW-JTDSTZFVSA-N 0 3 313.445 3.078 20 30 DGEDHN C=CCCCN(CC)CC(=O)N[C@H](C)Cc1ccccc1C ZINC001648544649 1195308465 /nfs/dbraw/zinc/30/84/65/1195308465.db2.gz WRCFQORSRXNASZ-QGZVFWFLSA-N 0 3 302.462 3.330 20 30 DGEDHN Cc1cc(NC[C@@H](C)N2CCc3ccccc3C2)ncc1C#N ZINC001650709483 1195374617 /nfs/dbraw/zinc/37/46/17/1195374617.db2.gz IKBGQUZTEPAZCO-OAHLLOKOSA-N 0 3 306.413 3.120 20 30 DGEDHN C=C[C@@H](COC)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001650981607 1195401319 /nfs/dbraw/zinc/40/13/19/1195401319.db2.gz FBGNOJSMKGCVHY-AWEZNQCLSA-N 0 3 306.406 3.324 20 30 DGEDHN C=C[C@H](COC)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001650981608 1195401616 /nfs/dbraw/zinc/40/16/16/1195401616.db2.gz FBGNOJSMKGCVHY-CQSZACIVSA-N 0 3 306.406 3.324 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCc2ccccn2)C1 ZINC001651246121 1195431790 /nfs/dbraw/zinc/43/17/90/1195431790.db2.gz YMCHSPPPNBDDSU-DOTOQJQBSA-N 0 3 307.397 3.442 20 30 DGEDHN C#Cc1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001651474751 1195468317 /nfs/dbraw/zinc/46/83/17/1195468317.db2.gz DSWKDKXKSNKXID-HXUWFJFHSA-N 0 3 301.393 3.396 20 30 DGEDHN C=CCOc1cccc(CNCc2c(C)nc3ccccn32)c1 ZINC001651658748 1195491729 /nfs/dbraw/zinc/49/17/29/1195491729.db2.gz VKHBADKUUVRUBB-UHFFFAOYSA-N 0 3 307.397 3.497 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCC2)cc1F ZINC001652106153 1195548423 /nfs/dbraw/zinc/54/84/23/1195548423.db2.gz AMQFXJMWLBDIMP-ZDUSSCGKSA-N 0 3 318.352 3.034 20 30 DGEDHN CC1CC(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)C1 ZINC001653292398 1195708640 /nfs/dbraw/zinc/70/86/40/1195708640.db2.gz ZZSFXVIVOVHZTF-UHFFFAOYSA-N 0 3 320.440 3.275 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)NCCOCCC(C)C)CCCC1(C)C ZINC001653459852 1195726048 /nfs/dbraw/zinc/72/60/48/1195726048.db2.gz LTTQCLXAIODHMF-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001653661800 1195741989 /nfs/dbraw/zinc/74/19/89/1195741989.db2.gz BQYPBPUXAQMBGV-RDJZCZTQSA-N 0 3 306.837 3.299 20 30 DGEDHN Cc1ccc(C)c([C@H](C)NCC(=O)Nc2cccc(C#N)c2)c1 ZINC001654032027 1195768789 /nfs/dbraw/zinc/76/87/89/1195768789.db2.gz DJODFLYLOIGDIY-HNNXBMFYSA-N 0 3 307.397 3.464 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)c1 ZINC001654032028 1195769005 /nfs/dbraw/zinc/76/90/05/1195769005.db2.gz DJODFLYLOIGDIY-OAHLLOKOSA-N 0 3 307.397 3.464 20 30 DGEDHN CCN1CCN(c2cccc(Nc3cc(C)c(C#N)cn3)c2)CC1 ZINC001655395837 1195912009 /nfs/dbraw/zinc/91/20/09/1195912009.db2.gz NRHCIQXDOGUHJM-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)CC1 ZINC001655406255 1195913066 /nfs/dbraw/zinc/91/30/66/1195913066.db2.gz HMPDJPAVODKEFV-HHXXYDBFSA-N 0 3 319.493 3.332 20 30 DGEDHN N#Cc1cnc(N2CCN[C@@H](c3ccccc3)C2)c2sccc21 ZINC001655878625 1195971999 /nfs/dbraw/zinc/97/19/99/1195971999.db2.gz FVODUYGVLSMBFE-MRXNPFEDSA-N 0 3 320.421 3.319 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001656081101 1195995555 /nfs/dbraw/zinc/99/55/55/1195995555.db2.gz UQMVCHXPAFDYRY-HOCLYGCPSA-N 0 3 316.445 3.269 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)Cc1c(F)cccc1F ZINC001656089493 1195997640 /nfs/dbraw/zinc/99/76/40/1195997640.db2.gz UTSHYADVLBUJOO-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCCOC(C)C)CC1 ZINC001656088055 1195998112 /nfs/dbraw/zinc/99/81/12/1195998112.db2.gz FSBVCDNGBCOTOX-GOSISDBHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001656109415 1196004630 /nfs/dbraw/zinc/00/46/30/1196004630.db2.gz JZIJMYSOHSECRH-MRXNPFEDSA-N 0 3 303.450 3.216 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C[C@H]1CCN1CCC)c1ccccc1 ZINC001656109453 1196004977 /nfs/dbraw/zinc/00/49/77/1196004977.db2.gz KWMPMMCQKCNTQO-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@H](CC(=O)N(C)C[C@@H]1CCN1CCCF)c1ccccc1 ZINC001656109442 1196005056 /nfs/dbraw/zinc/00/50/56/1196005056.db2.gz KUEWTQNDPAJTGM-AEFFLSMTSA-N 0 3 318.436 3.239 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccccc1C ZINC001656109767 1196005256 /nfs/dbraw/zinc/00/52/56/1196005256.db2.gz RAVGNDVZSORKKE-SJORKVTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2C[C@H](CC)OC)CCCC1 ZINC001656113285 1196005867 /nfs/dbraw/zinc/00/58/67/1196005867.db2.gz UYVUFSFQFNOXMC-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001656122294 1196007814 /nfs/dbraw/zinc/00/78/14/1196007814.db2.gz HWPVWWLOFCENQQ-KFWWJZLASA-N 0 3 304.409 3.337 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C1CC=CC1 ZINC001656429128 1196039346 /nfs/dbraw/zinc/03/93/46/1196039346.db2.gz KAAAWPSAJXKYCW-CJNGLKHVSA-N 0 3 310.869 3.312 20 30 DGEDHN Cc1cc(CNCc2ccc3c(c2)OC(F)(F)O3)ccc1C#N ZINC001656504007 1196045261 /nfs/dbraw/zinc/04/52/61/1196045261.db2.gz KMYGMOZEIVJNEN-UHFFFAOYSA-N 0 3 316.307 3.478 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(CC)CC)C(C)(C)[C@@H]21 ZINC001656650392 1196057993 /nfs/dbraw/zinc/05/79/93/1196057993.db2.gz DNRMGMXQEPHOOB-BHIYHBOVSA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC(CC)CC)C(C)(C)[C@H]21 ZINC001656650393 1196058395 /nfs/dbraw/zinc/05/83/95/1196058395.db2.gz DNRMGMXQEPHOOB-NEWSRXKRSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccc(F)cc1 ZINC001656673671 1196061098 /nfs/dbraw/zinc/06/10/98/1196061098.db2.gz RPKNBPKFHWALEY-IAGOWNOFSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)CCCCCC)C[C@@H]2C1 ZINC001656836515 1196074371 /nfs/dbraw/zinc/07/43/71/1196074371.db2.gz KIIHZXINZNJTNH-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)CCCCCCCC)C[C@@H]2C1 ZINC001656843004 1196075063 /nfs/dbraw/zinc/07/50/63/1196075063.db2.gz LUAVZFVVNCYVEH-MSOLQXFVSA-N 0 3 304.478 3.151 20 30 DGEDHN N#Cc1ccnc(N2CCN(CC3CCC4(CC4)CC3)CC2)c1 ZINC001656980827 1196089417 /nfs/dbraw/zinc/08/94/17/1196089417.db2.gz DYZCRGAUGAMWPI-UHFFFAOYSA-N 0 3 310.445 3.046 20 30 DGEDHN CC[C@H](F)CN1CC[C@@H](NC(=O)C#CC(C)C)CC(C)(C)C1 ZINC001657095570 1196104424 /nfs/dbraw/zinc/10/44/24/1196104424.db2.gz DNXLYFXVIUMIEB-JKSUJKDBSA-N 0 3 310.457 3.001 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC(C)(C)C2CC2)CC(C)(C)C1 ZINC001657096826 1196104986 /nfs/dbraw/zinc/10/49/86/1196104986.db2.gz QVHQYPLYXOEYAM-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccncc1 ZINC001657236807 1196121496 /nfs/dbraw/zinc/12/14/96/1196121496.db2.gz DKRFNXDUXUYPMS-GOSISDBHSA-N 0 3 305.385 3.069 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC001657557955 1196154963 /nfs/dbraw/zinc/15/49/63/1196154963.db2.gz GTBPTDZKOWBMAG-UHFFFAOYSA-N 0 3 310.426 3.259 20 30 DGEDHN C=CCC[C@@H](CO)NCc1c(Cl)cc(Cl)cc1N(C)C ZINC001657956331 1196196159 /nfs/dbraw/zinc/19/61/59/1196196159.db2.gz XZIALEYWNRBGIY-LBPRGKRZSA-N 0 3 317.260 3.476 20 30 DGEDHN Cn1ccnc1C[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC001658613734 1196281030 /nfs/dbraw/zinc/28/10/30/1196281030.db2.gz HIKGZZKQFKAOSI-HXUWFJFHSA-N 0 3 315.420 3.345 20 30 DGEDHN CCOC(=O)[C@@](C)(CNCC#Cc1ccccc1)c1ccccc1 ZINC001658885088 1196314890 /nfs/dbraw/zinc/31/48/90/1196314890.db2.gz HSKWLSMNYXXZEW-NRFANRHFSA-N 0 3 321.420 3.149 20 30 DGEDHN Cc1cc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc(C)n1 ZINC001658945154 1196323855 /nfs/dbraw/zinc/32/38/55/1196323855.db2.gz HMDHLXZKIGOJCU-SFHVURJKSA-N 0 3 321.428 3.042 20 30 DGEDHN C=CCn1cc(CNCC(c2ccccc2)c2ccccc2)nn1 ZINC001660077790 1196442268 /nfs/dbraw/zinc/44/22/68/1196442268.db2.gz QVPCAUPEQKFIOG-UHFFFAOYSA-N 0 3 318.424 3.386 20 30 DGEDHN CCN(CCCNC(=O)[C@@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC001660501719 1196492168 /nfs/dbraw/zinc/49/21/68/1196492168.db2.gz FZASWKGFGLVGBE-UONOGXRCSA-N 0 3 321.852 3.389 20 30 DGEDHN C=C/C(C)=C/CC(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001660571398 1196498035 /nfs/dbraw/zinc/49/80/35/1196498035.db2.gz HFOIEVANBFJYJD-XMHGGMMESA-N 0 3 324.468 3.389 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccccc1C(C)(C)C)C1CC1 ZINC001660695221 1196512781 /nfs/dbraw/zinc/51/27/81/1196512781.db2.gz FXDISVXJUKZPBG-UHFFFAOYSA-N 0 3 312.457 3.202 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc[nH]c2CC)CC1 ZINC001661086191 1196563365 /nfs/dbraw/zinc/56/33/65/1196563365.db2.gz CIXMVITVVBCWFQ-UHFFFAOYSA-N 0 3 303.450 3.080 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001661094166 1196565018 /nfs/dbraw/zinc/56/50/18/1196565018.db2.gz JSXDRWXVRQKFAR-JKSUJKDBSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CSC ZINC001661244655 1196588184 /nfs/dbraw/zinc/58/81/84/1196588184.db2.gz LOMHGYPCSXWDNM-XUWVNRHRSA-N 0 3 310.507 3.015 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001661261959 1196589322 /nfs/dbraw/zinc/58/93/22/1196589322.db2.gz JZNDTYXZXKKHOF-IXDOHACOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001661459993 1196607465 /nfs/dbraw/zinc/60/74/65/1196607465.db2.gz MCKFGVRBSSXEFX-UBHSHLNASA-N 0 3 322.399 3.475 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@@H]21 ZINC001661547830 1196617460 /nfs/dbraw/zinc/61/74/60/1196617460.db2.gz FKUCIXKZAYMCHV-YZBXERDGSA-N 0 3 322.880 3.245 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001661747857 1196640058 /nfs/dbraw/zinc/64/00/58/1196640058.db2.gz IOYGMAFPWPWMQR-HKUYNNGSSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001661744468 1196640570 /nfs/dbraw/zinc/64/05/70/1196640570.db2.gz YEYCDBYSANXONV-OALUTQOASA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001661744200 1196640628 /nfs/dbraw/zinc/64/06/28/1196640628.db2.gz WHHRORNGGWNCCK-OALUTQOASA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001661890849 1196659651 /nfs/dbraw/zinc/65/96/51/1196659651.db2.gz MMCYWZYLQUFUCQ-SJORKVTESA-N 0 3 316.445 3.001 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001661988791 1196672029 /nfs/dbraw/zinc/67/20/29/1196672029.db2.gz DWVKHFASUJIEPB-GDBMZVCRSA-N 0 3 306.425 3.024 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001661990560 1196672325 /nfs/dbraw/zinc/67/23/25/1196672325.db2.gz WBLSHKJIFNUNQL-KDCRJJDASA-N 0 3 324.468 3.025 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CC2CCCCCC2)C1 ZINC001662010375 1196674654 /nfs/dbraw/zinc/67/46/54/1196674654.db2.gz LOOJLBNGXPHCBG-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCC(NCc2nccs2)CC1 ZINC001662122322 1196683814 /nfs/dbraw/zinc/68/38/14/1196683814.db2.gz SSVDIOPMRIIKSB-UHFFFAOYSA-N 0 3 321.490 3.262 20 30 DGEDHN CCCCC1(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001662329698 1196708855 /nfs/dbraw/zinc/70/88/55/1196708855.db2.gz NCMLUGSAQODMFI-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1nc(C)c(C)s1 ZINC001662924490 1196772423 /nfs/dbraw/zinc/77/24/23/1196772423.db2.gz JNOQPRHDULGYLR-LBPRGKRZSA-N 0 3 309.479 3.101 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccnc2ccccc21 ZINC001662944779 1196774795 /nfs/dbraw/zinc/77/47/95/1196774795.db2.gz NVESUPWGTXFBOZ-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1(CCF)CC1 ZINC001663092816 1196790606 /nfs/dbraw/zinc/79/06/06/1196790606.db2.gz FUERXQWNWHYWST-AWEZNQCLSA-N 0 3 316.848 3.240 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001663249901 1196819030 /nfs/dbraw/zinc/81/90/30/1196819030.db2.gz XBNSLWBNUZNYRP-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001663277191 1196825303 /nfs/dbraw/zinc/82/53/03/1196825303.db2.gz ZRMRXJWYSIJODD-INIZCTEOSA-N 0 3 302.462 3.367 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2c(cccc2F)s1 ZINC001663331867 1196836990 /nfs/dbraw/zinc/83/69/90/1196836990.db2.gz NGGAYCOAXKSOTO-UHFFFAOYSA-N 0 3 306.406 3.278 20 30 DGEDHN C=CCN(CC)CCNC(=O)C1(c2ccccc2)CCCC1 ZINC001663451657 1196872126 /nfs/dbraw/zinc/87/21/26/1196872126.db2.gz BWZBZUGZZRRCIV-UHFFFAOYSA-N 0 3 300.446 3.123 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001663518641 1196893840 /nfs/dbraw/zinc/89/38/40/1196893840.db2.gz JGPAMEKNGXUEDI-CWUFLNSKSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001663587090 1196908731 /nfs/dbraw/zinc/90/87/31/1196908731.db2.gz DEQMFFVDKRNLDP-ZDUSSCGKSA-N 0 3 318.383 3.145 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001663613251 1196913949 /nfs/dbraw/zinc/91/39/49/1196913949.db2.gz LMOKSKZNXMSHDN-KRWDZBQOSA-N 0 3 318.436 3.429 20 30 DGEDHN C=CCN(CCNC(=O)CCc1cc(C)cc(C)c1)C1CC1 ZINC001663769810 1196943478 /nfs/dbraw/zinc/94/34/78/1196943478.db2.gz XPCFXCHLXMAMTQ-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C#Cc1ccc(CN(C)C[C@@H]2CN(CC)c3ccccc3O2)cc1 ZINC001664091478 1196971175 /nfs/dbraw/zinc/97/11/75/1196971175.db2.gz HRHMTSLBMOIABA-LJQANCHMSA-N 0 3 320.436 3.387 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc[nH]c1CCC)c1ccccc1 ZINC001664588851 1197018409 /nfs/dbraw/zinc/01/84/09/1197018409.db2.gz ZJHQRWCJVSRCJR-IBGZPJMESA-N 0 3 323.440 3.051 20 30 DGEDHN C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001664658408 1197029134 /nfs/dbraw/zinc/02/91/34/1197029134.db2.gz YHRKJHGPEROBDK-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001664658408 1197029138 /nfs/dbraw/zinc/02/91/38/1197029138.db2.gz YHRKJHGPEROBDK-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCC(F)(F)F)C1 ZINC001664663388 1197030372 /nfs/dbraw/zinc/03/03/72/1197030372.db2.gz WVNVHGDTYBWONH-ZDUSSCGKSA-N 0 3 306.372 3.218 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001665016980 1197086984 /nfs/dbraw/zinc/08/69/84/1197086984.db2.gz YKORGCMCDINBKB-MOPGFXCFSA-N 0 3 312.457 3.030 20 30 DGEDHN CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCN([O-])C1=O ZINC001665140645 1197101934 /nfs/dbraw/zinc/10/19/34/1197101934.db2.gz LYVIHQPGDFJFBK-CVEARBPZSA-N 0 3 324.852 3.267 20 30 DGEDHN C=CCC1(NCc2nc(Br)cs2)CCOCC1 ZINC001665199528 1197108341 /nfs/dbraw/zinc/10/83/41/1197108341.db2.gz RVPDNXYMQXCVDD-UHFFFAOYSA-N 0 3 317.252 3.121 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(=C)C1 ZINC001665413306 1197134024 /nfs/dbraw/zinc/13/40/24/1197134024.db2.gz QYWMQSOGMZVRSQ-IRXDYDNUSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001665516688 1197146305 /nfs/dbraw/zinc/14/63/05/1197146305.db2.gz RABHORMCKSUJAF-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCCC2CCOCC2)C1 ZINC001665720951 1197180629 /nfs/dbraw/zinc/18/06/29/1197180629.db2.gz OBJFTHXLMPNHKX-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN CC[C@H](CNC(=O)C1CCCCC1)NCc1ccc(C#N)s1 ZINC001665754074 1197188227 /nfs/dbraw/zinc/18/82/27/1197188227.db2.gz JNAWEKFJXWGLET-CQSZACIVSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCC1(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCC1 ZINC001665866152 1197208603 /nfs/dbraw/zinc/20/86/03/1197208603.db2.gz VWLUWONGSFTTDJ-KRWDZBQOSA-N 0 3 315.461 3.477 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(C(F)F)CCC2)CCCC1 ZINC001666782905 1197284855 /nfs/dbraw/zinc/28/48/55/1197284855.db2.gz SFHKTXCGJNZPKE-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccns2)CCCC1 ZINC001666791023 1197285597 /nfs/dbraw/zinc/28/55/97/1197285597.db2.gz BGZGIZBHYUQBPZ-UHFFFAOYSA-N 0 3 321.490 3.264 20 30 DGEDHN C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001667566919 1197362597 /nfs/dbraw/zinc/36/25/97/1197362597.db2.gz VTVKCTPJVNYIOK-HNNXBMFYSA-N 0 3 318.436 3.326 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001667663755 1197376978 /nfs/dbraw/zinc/37/69/78/1197376978.db2.gz BKKRBESZCSEWIM-UHFFFAOYSA-N 0 3 304.478 3.025 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC001668069832 1197398519 /nfs/dbraw/zinc/39/85/19/1197398519.db2.gz BZKVNHXGDAPLDR-GFCCVEGCSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1nc(C)sc1C ZINC001668076526 1197398454 /nfs/dbraw/zinc/39/84/54/1197398454.db2.gz PWDKNAOUYMMGGO-GFCCVEGCSA-N 0 3 309.479 3.101 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2oc(C)nc2C)CCC1 ZINC001668203431 1197404649 /nfs/dbraw/zinc/40/46/49/1197404649.db2.gz PRPGHWLDMLZBCP-CYBMUJFWSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1ccc(C)c(C)c1 ZINC001668298413 1197408770 /nfs/dbraw/zinc/40/87/70/1197408770.db2.gz CCIUWDQUCBNHDZ-HNNXBMFYSA-N 0 3 308.853 3.083 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2c(c1)CCC2 ZINC001668305030 1197409285 /nfs/dbraw/zinc/40/92/85/1197409285.db2.gz XPQPFSKTBLPFIB-CYBMUJFWSA-N 0 3 306.837 3.026 20 30 DGEDHN C=CCCC(=O)N(CC)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001668377054 1197412583 /nfs/dbraw/zinc/41/25/83/1197412583.db2.gz FWORXRNPZQNAFJ-ZDUSSCGKSA-N 0 3 310.388 3.430 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccc(CF)cc1 ZINC001668978313 1197435454 /nfs/dbraw/zinc/43/54/54/1197435454.db2.gz JJMVXMPXVXSLRU-AATRIKPKSA-N 0 3 304.409 3.130 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001669213703 1197443945 /nfs/dbraw/zinc/44/39/45/1197443945.db2.gz JIQJYGZIVWJKTE-SREVYHEPSA-N 0 3 318.848 3.362 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1ccc(OC)c(F)c1 ZINC001669658140 1197468710 /nfs/dbraw/zinc/46/87/10/1197468710.db2.gz YBMZEPJXNAHYFB-SCLBCKFNSA-N 0 3 322.424 3.031 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001669863017 1197493127 /nfs/dbraw/zinc/49/31/27/1197493127.db2.gz SMIVDCTUKOHWFC-CQSZACIVSA-N 0 3 306.425 3.017 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC001670138353 1197521747 /nfs/dbraw/zinc/52/17/47/1197521747.db2.gz IJEKICOYPDZXIE-HYXAFXHYSA-N 0 3 324.827 3.420 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cncs1)C1CCCC1 ZINC001671548005 1197547634 /nfs/dbraw/zinc/54/76/34/1197547634.db2.gz ITWDTFPWZUFVAZ-OAHLLOKOSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001671648534 1197556690 /nfs/dbraw/zinc/55/66/90/1197556690.db2.gz ICUQEUVBASIIFJ-IBGZPJMESA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001671700260 1197563784 /nfs/dbraw/zinc/56/37/84/1197563784.db2.gz SDDAWFDYODYSNK-DNVCBOLYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001671700262 1197563850 /nfs/dbraw/zinc/56/38/50/1197563850.db2.gz SDDAWFDYODYSNK-HNAYVOBHSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001671768300 1197568767 /nfs/dbraw/zinc/56/87/67/1197568767.db2.gz DMSSPKAPACYMGZ-LDCOFTPGSA-N 0 3 319.276 3.346 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001671915829 1197584923 /nfs/dbraw/zinc/58/49/23/1197584923.db2.gz AFZIAPZWQACYRI-YLJYHZDGSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccoc2C(C)C)C1 ZINC001671916320 1197585561 /nfs/dbraw/zinc/58/55/61/1197585561.db2.gz JHWXCTKFYJSFMG-SFHVURJKSA-N 0 3 304.434 3.421 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(CC)cc2)C1 ZINC001671916761 1197585851 /nfs/dbraw/zinc/58/58/51/1197585851.db2.gz QMYMMKBGGUZJCE-LJQANCHMSA-N 0 3 300.446 3.267 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2nc(C)sc2C)C1 ZINC001672192030 1197596396 /nfs/dbraw/zinc/59/63/96/1197596396.db2.gz YCZGFAQIWZOWAI-IUODEOHRSA-N 0 3 321.490 3.053 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CC(C)(C)C)cc1 ZINC001672933944 1197629436 /nfs/dbraw/zinc/62/94/36/1197629436.db2.gz OZOVFINWWOWPLT-HNNXBMFYSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001673008405 1197634175 /nfs/dbraw/zinc/63/41/75/1197634175.db2.gz FMNMFBVXGYKNHX-QGZVFWFLSA-N 0 3 322.468 3.427 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@H](C)CCC)cccc2C1 ZINC001673075481 1197636374 /nfs/dbraw/zinc/63/63/74/1197636374.db2.gz NAICIJNFXHKGQU-MRXNPFEDSA-N 0 3 312.457 3.120 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC1 ZINC001673221955 1197645160 /nfs/dbraw/zinc/64/51/60/1197645160.db2.gz NVLVFRJLROOECA-SJORKVTESA-N 0 3 318.505 3.491 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001673457853 1197663345 /nfs/dbraw/zinc/66/33/45/1197663345.db2.gz LKEKSGGJQKNDLJ-UHFFFAOYSA-N 0 3 306.494 3.252 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H]([C@H]2CCCN(CCF)C2)C1 ZINC001673497175 1197670165 /nfs/dbraw/zinc/67/01/65/1197670165.db2.gz YTOUXZDSQBWTNR-ROUUACIJSA-N 0 3 322.468 3.100 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001673645045 1197683212 /nfs/dbraw/zinc/68/32/12/1197683212.db2.gz FYDCLORORLJROC-WMZOPIPTSA-N 0 3 310.457 3.405 20 30 DGEDHN C=C(Br)CN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389858211 1197711641 /nfs/dbraw/zinc/71/16/41/1197711641.db2.gz DCZMFZKPBCAEIO-SWLSCSKDSA-N 0 3 309.251 3.005 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2ncsc2c1 ZINC001674255325 1197752643 /nfs/dbraw/zinc/75/26/43/1197752643.db2.gz PUDOTEFCOXCFDH-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001674474439 1197782221 /nfs/dbraw/zinc/78/22/21/1197782221.db2.gz BODKTONDZLQJTL-IEBWSBKVSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2cc(F)ccc2o1 ZINC001674486022 1197784998 /nfs/dbraw/zinc/78/49/98/1197784998.db2.gz BLHDHJUZDAUQEX-OAHLLOKOSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1[nH]ccc1-c1ccccc1 ZINC001674491098 1197785985 /nfs/dbraw/zinc/78/59/85/1197785985.db2.gz KMBDBECBWYWQJB-KRWDZBQOSA-N 0 3 323.440 3.404 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1OC ZINC001674717008 1197844737 /nfs/dbraw/zinc/84/47/37/1197844737.db2.gz RFUXEIBPXBKYOR-CABCVRRESA-N 0 3 318.461 3.199 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC001675247626 1198018931 /nfs/dbraw/zinc/01/89/31/1198018931.db2.gz OUZVFQSNROKIAP-ZDUSSCGKSA-N 0 3 306.372 3.266 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001675269573 1198028667 /nfs/dbraw/zinc/02/86/67/1198028667.db2.gz KQRCKOVZFJJGBV-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN(Cc2ccc(C3CC3)cc2)C1 ZINC001675305792 1198041647 /nfs/dbraw/zinc/04/16/47/1198041647.db2.gz VEILRCCFOOTHKR-MRXNPFEDSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2cccc(CC)c2)C1 ZINC001675331916 1198046306 /nfs/dbraw/zinc/04/63/06/1198046306.db2.gz GUQQIGOETZCAQY-OAHLLOKOSA-N 0 3 314.473 3.398 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC001675342541 1198047518 /nfs/dbraw/zinc/04/75/18/1198047518.db2.gz BBJSOOXXKSMHDE-HNNXBMFYSA-N 0 3 302.462 3.280 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001675348908 1198049336 /nfs/dbraw/zinc/04/93/36/1198049336.db2.gz JRLZFWRVHSUDOR-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](C)C1CN(CCCF)C1)c1ccccc1 ZINC001675364366 1198055639 /nfs/dbraw/zinc/05/56/39/1198055639.db2.gz UWENHVKTBXWSGA-QAPCUYQASA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2cc(F)ccc2F)C1 ZINC001675785519 1198142266 /nfs/dbraw/zinc/14/22/66/1198142266.db2.gz HHJJEPYAOHNOQV-SAZUREKKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001675802497 1198144351 /nfs/dbraw/zinc/14/43/51/1198144351.db2.gz YVZZDMTZNNUQOA-DZUCGIPZSA-N 0 3 318.848 3.027 20 30 DGEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)C1=CCCC1 ZINC001675880797 1198164928 /nfs/dbraw/zinc/16/49/28/1198164928.db2.gz RDXCNONZSLLCFN-OAHLLOKOSA-N 0 3 311.429 3.043 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001675959019 1198180667 /nfs/dbraw/zinc/18/06/67/1198180667.db2.gz PTNFTCSDDBBGAQ-BLLLJJGKSA-N 0 3 324.827 3.092 20 30 DGEDHN C#CCN(C)CCCNC(=O)NC1CCC(C(C)(C)CC)CC1 ZINC001675963240 1198181608 /nfs/dbraw/zinc/18/16/08/1198181608.db2.gz DYXXRESHWSSVJC-UHFFFAOYSA-N 0 3 321.509 3.236 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001676022783 1198197303 /nfs/dbraw/zinc/19/73/03/1198197303.db2.gz ILSRWUAVWKWVNU-PRLABOORSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001676724332 1198374918 /nfs/dbraw/zinc/37/49/18/1198374918.db2.gz ZPZLNWPOTCCIDO-NVXWUHKLSA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccc(C)nc2C)C[C@@H]1C ZINC001676734210 1198375948 /nfs/dbraw/zinc/37/59/48/1198375948.db2.gz BBFJFNMJDKPFAX-YJBOKZPZSA-N 0 3 315.461 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(C)nc2C)C[C@@H]1C ZINC001676734208 1198376769 /nfs/dbraw/zinc/37/67/69/1198376769.db2.gz BBFJFNMJDKPFAX-MAUKXSAKSA-N 0 3 315.461 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2c(C)nsc2C)C[C@H]1C ZINC001676735564 1198377050 /nfs/dbraw/zinc/37/70/50/1198377050.db2.gz MOFJDIVHXLNNRK-IUODEOHRSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC001676791296 1198388351 /nfs/dbraw/zinc/38/83/51/1198388351.db2.gz UKHKZTNALXZVEL-HNAYVOBHSA-N 0 3 312.457 3.027 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001676788920 1198389192 /nfs/dbraw/zinc/38/91/92/1198389192.db2.gz CFDZJDWJVFNRSI-OXQOHEQNSA-N 0 3 322.452 3.470 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCOCC)[C@H]2C)CCCC1 ZINC001676898837 1198427919 /nfs/dbraw/zinc/42/79/19/1198427919.db2.gz SJIPJGGXWPSUPO-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC=C)CCCC2)[C@@H]1C ZINC001676898797 1198428146 /nfs/dbraw/zinc/42/81/46/1198428146.db2.gz RKNRPGDJRZTNQD-IRXDYDNUSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H](NC/C=C\Cl)C(C)(C)C2)CCC1 ZINC001677024182 1198466534 /nfs/dbraw/zinc/46/65/34/1198466534.db2.gz WVKAMXKHQYKSCP-APFBBLRHSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)n(CC)c1C)C(C)C ZINC001677204723 1198487374 /nfs/dbraw/zinc/48/73/74/1198487374.db2.gz DTAVPWSHSCKXKF-UHFFFAOYSA-N 0 3 319.493 3.483 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)Cc1ccco1)C(C)C ZINC001677215527 1198490915 /nfs/dbraw/zinc/49/09/15/1198490915.db2.gz QGBWTUXXJJKUJM-MRXNPFEDSA-N 0 3 306.450 3.203 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C(C)C ZINC001677215102 1198491645 /nfs/dbraw/zinc/49/16/45/1198491645.db2.gz AXCIUXXEOBTWMA-DLBZAZTESA-N 0 3 308.510 3.497 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1ccc(C)c(C)c1)C(C)C ZINC001677218647 1198491930 /nfs/dbraw/zinc/49/19/30/1198491930.db2.gz CBLPNBYMPXVHHK-UHFFFAOYSA-N 0 3 302.462 3.201 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccccc1Cl)C(C)(C)C ZINC001677237407 1198497973 /nfs/dbraw/zinc/49/79/73/1198497973.db2.gz ADNUOEYOAZRRCE-SWLSCSKDSA-N 0 3 321.852 3.120 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CC[C@H](C)C2)c(F)c1 ZINC001677648338 1198566923 /nfs/dbraw/zinc/56/69/23/1198566923.db2.gz MDMSTXWQJLPECN-ZFWWWQNUSA-N 0 3 304.409 3.154 20 30 DGEDHN C#CCN(C)CCCNC(=O)NC1CCC2(CCCCC2)CC1 ZINC001680130583 1198858717 /nfs/dbraw/zinc/85/87/17/1198858717.db2.gz UYNPYCPDMGOZQS-UHFFFAOYSA-N 0 3 319.493 3.134 20 30 DGEDHN C=CCC[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC001680581830 1198895471 /nfs/dbraw/zinc/89/54/71/1198895471.db2.gz YEADTRIZRZMDMM-ROUUACIJSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001682087007 1199127594 /nfs/dbraw/zinc/12/75/94/1199127594.db2.gz KLPZVSPUDGBXOY-QZTJIDSGSA-N 0 3 315.461 3.223 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC(C)C ZINC001682683595 1199183608 /nfs/dbraw/zinc/18/36/08/1199183608.db2.gz MQLSMSSIRLQEFN-DLBZAZTESA-N 0 3 309.498 3.351 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001688888637 1199944516 /nfs/dbraw/zinc/94/45/16/1199944516.db2.gz LGVMADQEISFOMJ-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccccc1F ZINC001688890798 1199945220 /nfs/dbraw/zinc/94/52/20/1199945220.db2.gz CSBFVKZWFRRAMY-CVEARBPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001688895233 1199948060 /nfs/dbraw/zinc/94/80/60/1199948060.db2.gz CQNMUJSNDAMXSS-ZDUSSCGKSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001688897081 1199948989 /nfs/dbraw/zinc/94/89/89/1199948989.db2.gz POCWPEOWPCEVNI-ZFWWWQNUSA-N 0 3 322.399 3.177 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@@H](C)F)CCCCC1 ZINC001688897810 1199950509 /nfs/dbraw/zinc/95/05/09/1199950509.db2.gz FCRIBQBMLYSDKA-IAGOWNOFSA-N 0 3 322.468 3.241 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001688933319 1199963420 /nfs/dbraw/zinc/96/34/20/1199963420.db2.gz GMJXPHMTPDMQIZ-SAZUREKKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001688933627 1199963524 /nfs/dbraw/zinc/96/35/24/1199963524.db2.gz RNLJTMMOZIFXAE-SHTZXODSSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccsc1C)C(C)C ZINC001753838461 1199987447 /nfs/dbraw/zinc/98/74/47/1199987447.db2.gz CAUWXHGEQVYCQQ-AWEZNQCLSA-N 0 3 314.882 3.082 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1CCC(F)(F)CC1)C(C)C ZINC001753840705 1199990572 /nfs/dbraw/zinc/99/05/72/1199990572.db2.gz KHGVQLANRJQGQH-CYBMUJFWSA-N 0 3 322.827 3.295 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)Cc1cc(C)cc(C)c1 ZINC001753850985 1199997611 /nfs/dbraw/zinc/99/76/11/1199997611.db2.gz ODUFKTKCSZFBEK-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C(C)(C)F ZINC001689039535 1200003379 /nfs/dbraw/zinc/00/33/79/1200003379.db2.gz YRUIFUXFMKVLJB-DGCLKSJQSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c[nH]c2ccccc21 ZINC001753983641 1200058353 /nfs/dbraw/zinc/05/83/53/1200058353.db2.gz PLGUWGKIDFVGDM-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCNCc2ncc(C)s2)CC1 ZINC001753997624 1200065328 /nfs/dbraw/zinc/06/53/28/1200065328.db2.gz ZTSNOFPVBHRFDB-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001754074510 1200094596 /nfs/dbraw/zinc/09/45/96/1200094596.db2.gz XELGPWXJHQKGQR-KGLIPLIRSA-N 0 3 321.490 3.240 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)CCC1(C)CC1 ZINC001754079114 1200095761 /nfs/dbraw/zinc/09/57/61/1200095761.db2.gz KVMYJECIISOJIF-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(Cl)cc1Cl ZINC001754077740 1200096804 /nfs/dbraw/zinc/09/68/04/1200096804.db2.gz GKKPYPLZIRUPTP-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1scnc1C1CC1 ZINC001689352893 1200105859 /nfs/dbraw/zinc/10/58/59/1200105859.db2.gz WMPUGBVOMIYCQP-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN CC(C)[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001754285858 1200173780 /nfs/dbraw/zinc/17/37/80/1200173780.db2.gz OXAHAJCZLQPYTB-LSDHHAIUSA-N 0 3 320.864 3.078 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1nc(C)cs1 ZINC001754339894 1200234020 /nfs/dbraw/zinc/23/40/20/1200234020.db2.gz IJRKJTYOCXMBEM-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001754387403 1200248726 /nfs/dbraw/zinc/24/87/26/1200248726.db2.gz LJXRDFWAPHAZNX-UHFFFAOYSA-N 0 3 324.639 3.126 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cccc(Cl)c1F)C1CC1 ZINC001754435664 1200262126 /nfs/dbraw/zinc/26/21/26/1200262126.db2.gz LDAWXYBSSVEOFV-OAHLLOKOSA-N 0 3 324.827 3.430 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001754472446 1200282960 /nfs/dbraw/zinc/28/29/60/1200282960.db2.gz QOHIGJHQGVKRPG-CQSZACIVSA-N 0 3 311.857 3.443 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1csc2cc(C)ccc12 ZINC001689804451 1200289696 /nfs/dbraw/zinc/28/96/96/1200289696.db2.gz RKCYTLGOXHRRSP-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001754484822 1200294068 /nfs/dbraw/zinc/29/40/68/1200294068.db2.gz JAGCETPAGDAUAC-CQSZACIVSA-N 0 3 315.417 3.311 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001754485719 1200297987 /nfs/dbraw/zinc/29/79/87/1200297987.db2.gz ANIGHIBCEXMECL-UONOGXRCSA-N 0 3 302.409 3.193 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001754489341 1200300009 /nfs/dbraw/zinc/30/00/09/1200300009.db2.gz WCMXLUIGACMZSO-LMMKCTJWSA-N 0 3 322.493 3.107 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CC[C@H](C)c1ccccc1 ZINC001689858765 1200309781 /nfs/dbraw/zinc/30/97/81/1200309781.db2.gz JVPXHVXIJFUIRL-KRWDZBQOSA-N 0 3 300.446 3.032 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1ccc(Cl)s1 ZINC001754502590 1200316636 /nfs/dbraw/zinc/31/66/36/1200316636.db2.gz LYUREENVUJKEKB-LBPRGKRZSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001754500514 1200317693 /nfs/dbraw/zinc/31/76/93/1200317693.db2.gz KXQVCJIYHFLODG-OLZOCXBDSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001689895801 1200319235 /nfs/dbraw/zinc/31/92/35/1200319235.db2.gz CDKTXDMBGDZXMI-NVXWUHKLSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCN1CC(C)C)c1ccccc1 ZINC001754505558 1200323435 /nfs/dbraw/zinc/32/34/35/1200323435.db2.gz PXAVRUQXOAOERT-ZWKOTPCHSA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC001689998007 1200360471 /nfs/dbraw/zinc/36/04/71/1200360471.db2.gz ZIJCBIHLFLEHPQ-UXHICEINSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001754557511 1200362197 /nfs/dbraw/zinc/36/21/97/1200362197.db2.gz IWIOXQOYPUMNGN-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1C)C1CC1 ZINC001690009322 1200364950 /nfs/dbraw/zinc/36/49/50/1200364950.db2.gz RERWUGQKIUSZGJ-VQTJNVASSA-N 0 3 324.468 3.093 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C2CCN(CCOCCCC)CC2)C1 ZINC001690027130 1200373348 /nfs/dbraw/zinc/37/33/48/1200373348.db2.gz AAQZNBXHYVSNIH-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2CC)C1 ZINC001690033726 1200376529 /nfs/dbraw/zinc/37/65/29/1200376529.db2.gz IBKYUBUWILOKGR-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCCCF)C2)CCC1 ZINC001690044841 1200381928 /nfs/dbraw/zinc/38/19/28/1200381928.db2.gz GXQSTLAFLGIJEO-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001690050346 1200386544 /nfs/dbraw/zinc/38/65/44/1200386544.db2.gz CVXLEXANZZRNAO-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCC[C@H]1C)C1CCN(CC(=C)C)CC1 ZINC001754639977 1200410568 /nfs/dbraw/zinc/41/05/68/1200410568.db2.gz CNSPPIVUEGHANB-IEBWSBKVSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cnoc2CC)CC1 ZINC001690136995 1200416022 /nfs/dbraw/zinc/41/60/22/1200416022.db2.gz YHXQJBDMGPMHPB-UHFFFAOYSA-N 0 3 319.449 3.130 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001690136652 1200416129 /nfs/dbraw/zinc/41/61/29/1200416129.db2.gz RKSBFKNCLHLECB-FVQHAEBGSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001690167018 1200430367 /nfs/dbraw/zinc/43/03/67/1200430367.db2.gz PQRDARWDNOUKLW-IUODEOHRSA-N 0 3 319.276 3.392 20 30 DGEDHN Cc1ccc(CN2CC[C@](C)(NC(=O)C#CC(C)C)C2)cc1C ZINC001754671143 1200430639 /nfs/dbraw/zinc/43/06/39/1200430639.db2.gz VVXKNMAOGDOOJI-FQEVSTJZSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001690187293 1200442143 /nfs/dbraw/zinc/44/21/43/1200442143.db2.gz QHUQWDPQAFVGOM-CLOOOTJHSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CCCC(=O)N1CC[C@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001754691123 1200448749 /nfs/dbraw/zinc/44/87/49/1200448749.db2.gz VJGGTPAJGGSFEU-CEFACKQISA-N 0 3 305.249 3.100 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC001690200722 1200453099 /nfs/dbraw/zinc/45/30/99/1200453099.db2.gz IWMVMGXGAWTTRG-JCGIZDLHSA-N 0 3 316.420 3.469 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccccc2C2(C)CC2)CC1 ZINC001754721091 1200464333 /nfs/dbraw/zinc/46/43/33/1200464333.db2.gz ZNBOJJYNLYOEDQ-UHFFFAOYSA-N 0 3 324.468 3.203 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC001754722327 1200466719 /nfs/dbraw/zinc/46/67/19/1200466719.db2.gz SPWSZSSSEUNHHQ-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001754786258 1200489717 /nfs/dbraw/zinc/48/97/17/1200489717.db2.gz WHTXGGJPJFBBOM-PALFPOONSA-N 0 3 322.880 3.292 20 30 DGEDHN O=C(C[C@H]1C=CCCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001690343111 1200504019 /nfs/dbraw/zinc/50/40/19/1200504019.db2.gz GMMCBLMXFBGBON-SLFFLAALSA-N 0 3 322.452 3.021 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001690353470 1200508125 /nfs/dbraw/zinc/50/81/25/1200508125.db2.gz LHJJLRHPPGQDKV-BETUJISGSA-N 0 3 324.877 3.332 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001754921455 1200537640 /nfs/dbraw/zinc/53/76/40/1200537640.db2.gz SJDWRHXEPYAQLG-GOEBONIOSA-N 0 3 318.864 3.486 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1c(C)coc1C ZINC001754945702 1200548777 /nfs/dbraw/zinc/54/87/77/1200548777.db2.gz GDVMDLYIMKRBQS-UHFFFAOYSA-N 0 3 324.424 3.282 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001690448935 1200561751 /nfs/dbraw/zinc/56/17/51/1200561751.db2.gz UYNVPCLGSPLKOG-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001690500713 1200594149 /nfs/dbraw/zinc/59/41/49/1200594149.db2.gz BKXQIYVJIOCPFL-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(CC)CCCCC2)C1 ZINC001690505174 1200599733 /nfs/dbraw/zinc/59/97/33/1200599733.db2.gz OUGKWHQIAQIRIC-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC2(C)CC2)C1 ZINC001755047253 1200618254 /nfs/dbraw/zinc/61/82/54/1200618254.db2.gz MSEZDRWSCDOVPF-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN C[C@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001755115451 1200642816 /nfs/dbraw/zinc/64/28/16/1200642816.db2.gz XNANTHAFPBLJOR-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@H](CNC(=O)[C@@H]1CCCC1(C)C)NCc1ccc(C#N)s1 ZINC001690612177 1200646803 /nfs/dbraw/zinc/64/68/03/1200646803.db2.gz HHOJUPLHNNEHDJ-DOMZBBRYSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)nc2C)[C@H](C)C1 ZINC001755169274 1200674990 /nfs/dbraw/zinc/67/49/90/1200674990.db2.gz LZZBUOQLTFOSHN-QAPCUYQASA-N 0 3 315.461 3.134 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)C1(C)CC1 ZINC001755172271 1200678001 /nfs/dbraw/zinc/67/80/01/1200678001.db2.gz NNYPORWDXBXCGU-SFHVURJKSA-N 0 3 312.457 3.468 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001755184360 1200683800 /nfs/dbraw/zinc/68/38/00/1200683800.db2.gz VWYAIOFALPZUJE-FVQHAEBGSA-N 0 3 324.896 3.346 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001755186200 1200684992 /nfs/dbraw/zinc/68/49/92/1200684992.db2.gz KHXQCQQFBYSUKO-BMGDILEWSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC001690772856 1200708312 /nfs/dbraw/zinc/70/83/12/1200708312.db2.gz XWOMJRXAWJRLTG-HUUCEWRRSA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1sccc1Cl ZINC001755229054 1200719527 /nfs/dbraw/zinc/71/95/27/1200719527.db2.gz WJPQYVOEACCQGF-QWRGUYRKSA-N 0 3 300.855 3.351 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001755258872 1200742588 /nfs/dbraw/zinc/74/25/88/1200742588.db2.gz WTOXAQFQVRJHOM-KBPBESRZSA-N 0 3 321.490 3.429 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001755258873 1200743043 /nfs/dbraw/zinc/74/30/43/1200743043.db2.gz WTOXAQFQVRJHOM-KGLIPLIRSA-N 0 3 321.490 3.429 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(OC(C)C)cc1 ZINC001690877859 1200760446 /nfs/dbraw/zinc/76/04/46/1200760446.db2.gz KPGUUUSQQFCCDJ-CQSZACIVSA-N 0 3 324.852 3.324 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CCc1ccco1 ZINC001690885273 1200765377 /nfs/dbraw/zinc/76/53/77/1200765377.db2.gz GUMKBRVDONWCLJ-OAHLLOKOSA-N 0 3 324.852 3.326 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1cccc(C(F)F)c1 ZINC001755300135 1200779895 /nfs/dbraw/zinc/77/98/95/1200779895.db2.gz ZPBSPKLMLFBZBJ-AWEZNQCLSA-N 0 3 322.399 3.220 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc2cc[nH]c21 ZINC001691793773 1200809860 /nfs/dbraw/zinc/80/98/60/1200809860.db2.gz BJNOIXVRHTWHRF-INIZCTEOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001755329362 1200825389 /nfs/dbraw/zinc/82/53/89/1200825389.db2.gz YYFMKZUFSPBCFQ-CXTNYUCXSA-N 0 3 304.478 3.071 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC2CCC2)C1 ZINC001691836061 1200828736 /nfs/dbraw/zinc/82/87/36/1200828736.db2.gz DZIUXHWBRSUSTO-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN CCCC[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C(C)C ZINC001755356774 1200838498 /nfs/dbraw/zinc/83/84/98/1200838498.db2.gz WUKXNOHFCASZNS-MRXNPFEDSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001755366564 1200853778 /nfs/dbraw/zinc/85/37/78/1200853778.db2.gz TWILFDJNRBANBJ-HXUWFJFHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001755388856 1200872569 /nfs/dbraw/zinc/87/25/69/1200872569.db2.gz KWCKGDYRJCLDNC-MRXNPFEDSA-N 0 3 314.473 3.285 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@@H](C)C(F)(F)F ZINC001755512855 1200928139 /nfs/dbraw/zinc/92/81/39/1200928139.db2.gz XAFCIYKBUCARNO-MWLCHTKSSA-N 0 3 314.779 3.202 20 30 DGEDHN C#CCCCC(=O)N1CC2(C[C@@H]1C)CCN(C[C@@H](F)CC)CC2 ZINC001691960241 1200886892 /nfs/dbraw/zinc/88/68/92/1200886892.db2.gz NNHJTHJKIWMJPP-IRXDYDNUSA-N 0 3 322.468 3.241 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H]1CN(CC(=C)C)CC1(C)C)c1ccccc1 ZINC001755416834 1200891685 /nfs/dbraw/zinc/89/16/85/1200891685.db2.gz XNSOZBBRIDOPTA-ZWKOTPCHSA-N 0 3 312.457 3.359 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCC3CCCC3)C[C@]2(C)C1 ZINC001755461019 1200905588 /nfs/dbraw/zinc/90/55/88/1200905588.db2.gz UQBYIRGVVCMINU-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN CC(C)c1ccccc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H]1C ZINC001692160977 1200953182 /nfs/dbraw/zinc/95/31/82/1200953182.db2.gz GAVAFVXAPSGAKX-UZLBHIALSA-N 0 3 324.468 3.302 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2ccc(F)c(F)c2)C1 ZINC001755606439 1200984029 /nfs/dbraw/zinc/98/40/29/1200984029.db2.gz QCSCYBPYNAOEIS-CYBMUJFWSA-N 0 3 322.399 3.258 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001755611447 1200989636 /nfs/dbraw/zinc/98/96/36/1200989636.db2.gz PODIAELYBDXIQY-MJGOQNOKSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)CCC=C)C2 ZINC001692267006 1200996364 /nfs/dbraw/zinc/99/63/64/1200996364.db2.gz YFBFVOKAJBQEST-UHFFFAOYSA-N 0 3 319.474 3.050 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CC(C)C)CCC2)CC(C)(C)C1 ZINC001692275525 1200999910 /nfs/dbraw/zinc/99/99/10/1200999910.db2.gz JGTZPGKTDYQIGV-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(Cl)nc2)C[C@@H]1C ZINC001755677639 1201009764 /nfs/dbraw/zinc/00/97/64/1201009764.db2.gz ZZSQQCZBMHCTFV-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001755676503 1201010602 /nfs/dbraw/zinc/01/06/02/1201010602.db2.gz QEZRASDJYQUOFO-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCC2CCOCC2)[C@H]1C ZINC001755718821 1201040166 /nfs/dbraw/zinc/04/01/66/1201040166.db2.gz PSVOVUROEKRCCX-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001692376564 1201044277 /nfs/dbraw/zinc/04/42/77/1201044277.db2.gz ODENEZOPAOQLCL-XSLAGTTESA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC2 ZINC001692384372 1201045590 /nfs/dbraw/zinc/04/55/90/1201045590.db2.gz KIHHKHKGXYBFBO-YSSFQJQWSA-N 0 3 324.468 3.429 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCc2ccccc21)C(C)C ZINC001755811761 1201075595 /nfs/dbraw/zinc/07/55/95/1201075595.db2.gz GMWVUKQVPVKDGM-LJQANCHMSA-N 0 3 314.473 3.461 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001755844850 1201102942 /nfs/dbraw/zinc/10/29/42/1201102942.db2.gz MLIUEESRASHXAR-BSIFCXSSSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2(C)CCCCCC2)CC1 ZINC001755848848 1201105371 /nfs/dbraw/zinc/10/53/71/1201105371.db2.gz NCPFKKANENLKEP-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2(C)CCCC2)c(F)c1 ZINC001755902456 1201126811 /nfs/dbraw/zinc/12/68/11/1201126811.db2.gz SRPFTIXDZKBZHB-UHFFFAOYSA-N 0 3 304.409 3.298 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC001755901457 1201127215 /nfs/dbraw/zinc/12/72/15/1201127215.db2.gz RSFMGWTYWJJQEB-OIISXLGYSA-N 0 3 316.420 3.154 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001698552946 1201224402 /nfs/dbraw/zinc/22/44/02/1201224402.db2.gz CDAISMNVHOFQFR-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001698558164 1201227832 /nfs/dbraw/zinc/22/78/32/1201227832.db2.gz RUBYNNHAYLWLPB-SJLPKXTDSA-N 0 3 316.420 3.312 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2oc(CC)nc2C)CCCC1 ZINC001698626514 1201296570 /nfs/dbraw/zinc/29/65/70/1201296570.db2.gz IUIDSEPNQKOBAV-UHFFFAOYSA-N 0 3 319.449 3.030 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2[nH]ccc2C)CCCC[C@@H]1C ZINC001698652286 1201315493 /nfs/dbraw/zinc/31/54/93/1201315493.db2.gz CPZDMEIHSWWHMO-GUYCJALGSA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(F)cc1C)C1CC1 ZINC001698652376 1201315640 /nfs/dbraw/zinc/31/56/40/1201315640.db2.gz KLMBOMXKXWDZQI-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2[nH]ccc2C)CCCC[C@H]1C ZINC001698652282 1201315916 /nfs/dbraw/zinc/31/59/16/1201315916.db2.gz CPZDMEIHSWWHMO-CXAGYDPISA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2ccoc2)CCCC[C@@H]1C ZINC001698655378 1201319546 /nfs/dbraw/zinc/31/95/46/1201319546.db2.gz PGHDKPGAQHOECE-SUMWQHHRSA-N 0 3 324.852 3.229 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC001698711379 1201347950 /nfs/dbraw/zinc/34/79/50/1201347950.db2.gz JWMAUDBCHSAGOW-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN CC[C@H](F)CN1CCC(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001698720953 1201361126 /nfs/dbraw/zinc/36/11/26/1201361126.db2.gz FXLASFFFEGXPSO-INIZCTEOSA-N 0 3 310.457 3.002 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C[C@H](C)n2cccc2)CCCC1 ZINC001698806228 1201437335 /nfs/dbraw/zinc/43/73/35/1201437335.db2.gz MHOZHRUOXVKSTR-HNNXBMFYSA-N 0 3 323.868 3.210 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H](C)CNCc1cc2ccccc2o1 ZINC001698819955 1201467619 /nfs/dbraw/zinc/46/76/19/1201467619.db2.gz APTYVALLMLJNEU-OAHLLOKOSA-N 0 3 312.413 3.029 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cscn2)[C@H](C)C1 ZINC001698892892 1201555963 /nfs/dbraw/zinc/55/59/63/1201555963.db2.gz PGEXPVJQSPVCPW-HIFRSBDPSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cc[nH]c1CC ZINC001698912726 1201571236 /nfs/dbraw/zinc/57/12/36/1201571236.db2.gz PPLGVNCRBNUAAY-AWEZNQCLSA-N 0 3 323.868 3.304 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1CCc2ccccc2CC1 ZINC001698991355 1201656683 /nfs/dbraw/zinc/65/66/83/1201656683.db2.gz UERJZVSAZCCJKI-UHFFFAOYSA-N 0 3 314.473 3.148 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001699135364 1201724250 /nfs/dbraw/zinc/72/42/50/1201724250.db2.gz NQTRXUCPGFKCTL-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1cccs1 ZINC001750930016 1201727968 /nfs/dbraw/zinc/72/79/68/1201727968.db2.gz QJQCLLLMPRUIBY-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001699376617 1201821325 /nfs/dbraw/zinc/82/13/25/1201821325.db2.gz SRKMHMOZBJWXNB-OLZOCXBDSA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC(F)(F)F)CC1 ZINC001752432765 1201837761 /nfs/dbraw/zinc/83/77/61/1201837761.db2.gz ZARIZEQQAHBNBK-UHFFFAOYSA-N 0 3 306.372 3.218 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001699405160 1201842508 /nfs/dbraw/zinc/84/25/08/1201842508.db2.gz ZKHKALPDTJDOEF-HNNXBMFYSA-N 0 3 317.477 3.402 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(OC)c(F)c1 ZINC001699420108 1201854676 /nfs/dbraw/zinc/85/46/76/1201854676.db2.gz FDSYJULYZDEJAB-ZDUSSCGKSA-N 0 3 322.424 3.031 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CN(C)Cc2scnc2C)C1 ZINC001752505287 1201860014 /nfs/dbraw/zinc/86/00/14/1201860014.db2.gz YCFNIEDJMYSJCK-OAHLLOKOSA-N 0 3 321.490 3.088 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C(C)C ZINC001752535013 1201870654 /nfs/dbraw/zinc/87/06/54/1201870654.db2.gz VQMBVVVDIFRNDE-BDXSIMOUSA-N 0 3 322.493 3.077 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001752534390 1201870800 /nfs/dbraw/zinc/87/08/00/1201870800.db2.gz IUYPZSCIPLMHFU-ZACQAIPSSA-N 0 3 313.445 3.034 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccccc1C1CC1 ZINC001699447325 1201884123 /nfs/dbraw/zinc/88/41/23/1201884123.db2.gz ZANNBQNTPBBZBP-OAHLLOKOSA-N 0 3 300.446 3.467 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001752723049 1201902022 /nfs/dbraw/zinc/90/20/22/1201902022.db2.gz CZRWXLVZMJYBAP-YTQUADARSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001699484747 1201925208 /nfs/dbraw/zinc/92/52/08/1201925208.db2.gz QXTFHTHAMJWWTP-UKRRQHHQSA-N 0 3 321.490 3.120 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001752789606 1201926111 /nfs/dbraw/zinc/92/61/11/1201926111.db2.gz GYERDRKFJUUODK-AZUAARDMSA-N 0 3 316.489 3.365 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCNCc1c(F)cccc1Cl ZINC001699503969 1201928787 /nfs/dbraw/zinc/92/87/87/1201928787.db2.gz CLDVUKRWBZLRHM-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001752824393 1201951981 /nfs/dbraw/zinc/95/19/81/1201951981.db2.gz WCJFRSMHGNOBRZ-IBGZPJMESA-N 0 3 314.473 3.393 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001752838602 1201964270 /nfs/dbraw/zinc/96/42/70/1201964270.db2.gz UONHGGMTGIQTOT-FUHWJXTLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001752844563 1201969099 /nfs/dbraw/zinc/96/90/99/1201969099.db2.gz PHOBWHYXFSJXCV-DGMLVCQYSA-N 0 3 304.478 3.071 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1cc2ccccc2o1 ZINC001752874211 1201988557 /nfs/dbraw/zinc/98/85/57/1201988557.db2.gz CHEBPMYDDVXFJO-AWEZNQCLSA-N 0 3 300.402 3.383 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001699638580 1202003936 /nfs/dbraw/zinc/00/39/36/1202003936.db2.gz LWIKHPYWQFJSQE-IRXDYDNUSA-N 0 3 310.457 3.452 20 30 DGEDHN CCC(CC)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001752910699 1202007971 /nfs/dbraw/zinc/00/79/71/1202007971.db2.gz UPXLDQUXUSQNCR-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(F)c2occc21 ZINC001699648076 1202013085 /nfs/dbraw/zinc/01/30/85/1202013085.db2.gz VQBRISQLJSQMOO-ZDUSSCGKSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC001753010645 1202057631 /nfs/dbraw/zinc/05/76/31/1202057631.db2.gz DJCZLJNKGKSLRX-CYBMUJFWSA-N 0 3 319.449 3.139 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ncc(C)s2)C[C@H]1C ZINC001699740764 1202061664 /nfs/dbraw/zinc/06/16/64/1202061664.db2.gz ZETRVKCZOZHRIT-UKRRQHHQSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cc(C)[nH]c1C ZINC001753035905 1202071247 /nfs/dbraw/zinc/07/12/47/1202071247.db2.gz MRTCUSBJSLDUPI-HNNXBMFYSA-N 0 3 323.868 3.358 20 30 DGEDHN C#CCN(C(=O)C1CCCC1)C1CCN(CC=C(C)C)CC1 ZINC001699775818 1202076431 /nfs/dbraw/zinc/07/64/31/1202076431.db2.gz PGSQVCZFRCWUCQ-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2cccc(CC)c2)C1 ZINC001753063244 1202093549 /nfs/dbraw/zinc/09/35/49/1202093549.db2.gz MNBAJIJUSUBZIC-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2ccc(CC)cc2)C1 ZINC001699815779 1202094063 /nfs/dbraw/zinc/09/40/63/1202094063.db2.gz LRDDMFBQWNGHAW-HXUWFJFHSA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001753091162 1202120898 /nfs/dbraw/zinc/12/08/98/1202120898.db2.gz KNHDMXMYKAWBKY-JKSUJKDBSA-N 0 3 306.837 3.068 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2cccc(Cl)c2o1 ZINC001753095867 1202126144 /nfs/dbraw/zinc/12/61/44/1202126144.db2.gz IZEHWUROIYTKNN-UHFFFAOYSA-N 0 3 306.793 3.324 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001699878685 1202133567 /nfs/dbraw/zinc/13/35/67/1202133567.db2.gz ZMTOPJJBYNMISJ-QGZVFWFLSA-N 0 3 321.490 3.284 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(CC)(CC)CC)C1 ZINC001699877508 1202134570 /nfs/dbraw/zinc/13/45/70/1202134570.db2.gz ZNPIATZWEPUAAN-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001699879495 1202134850 /nfs/dbraw/zinc/13/48/50/1202134850.db2.gz QEWWMVHOHZFAFF-YLJYHZDGSA-N 0 3 314.473 3.270 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001753106016 1202138440 /nfs/dbraw/zinc/13/84/40/1202138440.db2.gz JYMIUZGMCBMRFB-INIZCTEOSA-N 0 3 306.475 3.493 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1CC 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C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H](C)C1 ZINC001700091416 1202177585 /nfs/dbraw/zinc/17/75/85/1202177585.db2.gz OIPJZXMRKHAXOC-HOTGVXAUSA-N 0 3 300.446 3.357 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)c2ccco2)cc1 ZINC001700094878 1202179240 /nfs/dbraw/zinc/17/92/40/1202179240.db2.gz OMXMIXMEHJAVDJ-HZPDHXFCSA-N 0 3 324.424 3.373 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)C2CC2)cc1 ZINC001700099089 1202180462 /nfs/dbraw/zinc/18/04/62/1202180462.db2.gz KGWVCDNNNVNWIF-HOTGVXAUSA-N 0 3 312.457 3.413 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2scnc2C)CC1 ZINC001700177742 1202196805 /nfs/dbraw/zinc/19/68/05/1202196805.db2.gz SFBKTYPDYIRNDL-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC2CCCCC2)C1 ZINC001753312783 1202203971 /nfs/dbraw/zinc/20/39/71/1202203971.db2.gz DUWZBDXSRYSILU-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001753317515 1202206878 /nfs/dbraw/zinc/20/68/78/1202206878.db2.gz PHXGDYHJPZNNIY-RTBURBONSA-N 0 3 316.489 3.459 20 30 DGEDHN CCCCC(=O)NCC[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001753322727 1202209909 /nfs/dbraw/zinc/20/99/09/1202209909.db2.gz PUFILEXLDGEEPB-CQSZACIVSA-N 0 3 319.474 3.138 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC(C)(F)F ZINC001700227623 1202215371 /nfs/dbraw/zinc/21/53/71/1202215371.db2.gz PRDRLNLKYGXOOF-INIZCTEOSA-N 0 3 322.399 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CCCC)C(C)C)C2 ZINC001700229193 1202216276 /nfs/dbraw/zinc/21/62/76/1202216276.db2.gz ILMZMWWILYNKJB-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(C)(NCc2ncc(C)s2)CC1 ZINC001700280399 1202224419 /nfs/dbraw/zinc/22/44/19/1202224419.db2.gz JOYLCIGMPUMOHS-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001700292232 1202228449 /nfs/dbraw/zinc/22/84/49/1202228449.db2.gz ISGZYNMMLSUXJS-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1CCCC ZINC001700329920 1202238924 /nfs/dbraw/zinc/23/89/24/1202238924.db2.gz KGQXZBKSSMKQBV-GOSISDBHSA-N 0 3 300.446 3.468 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(CC)Cc2cnoc2C)CC1 ZINC001700340393 1202240502 /nfs/dbraw/zinc/24/05/02/1202240502.db2.gz UYRGAERYIJZRRB-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C)(C)CC ZINC001700347082 1202243721 /nfs/dbraw/zinc/24/37/21/1202243721.db2.gz QDDZJUYMLNPSEK-SJLPKXTDSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1C ZINC001753420576 1202248663 /nfs/dbraw/zinc/24/86/63/1202248663.db2.gz CHGYVUBCWOVJOP-KBMXLJTQSA-N 0 3 316.420 3.388 20 30 DGEDHN CC/C=C\CCN1C[C@@H]2C[C@H]1CN2C(=O)CC#Cc1ccccc1 ZINC001753428081 1202250361 /nfs/dbraw/zinc/25/03/61/1202250361.db2.gz VRYYLFHNOXYTQL-FZZLMOMWSA-N 0 3 322.452 3.070 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001700366914 1202252631 /nfs/dbraw/zinc/25/26/31/1202252631.db2.gz ZZUHJVQEXAWDDG-MSOLQXFVSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CCC(=O)NC1CC(CNCc2nc(C)sc2C)C1 ZINC001700373302 1202254171 /nfs/dbraw/zinc/25/41/71/1202254171.db2.gz DWPHHZCQLPBJAT-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001700384110 1202256432 /nfs/dbraw/zinc/25/64/32/1202256432.db2.gz FRUANOPVEVQMAT-GJZGRUSLSA-N 0 3 320.864 3.220 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(CCCF)C2)CCCCC1 ZINC001753450893 1202259741 /nfs/dbraw/zinc/25/97/41/1202259741.db2.gz XYRIAQYBFUWXRX-MRXNPFEDSA-N 0 3 310.457 3.405 20 30 DGEDHN CCCCC(=O)NC[C@@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001753467713 1202266856 /nfs/dbraw/zinc/26/68/56/1202266856.db2.gz XRWWNBHEPQLSAO-QGZVFWFLSA-N 0 3 320.864 3.366 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2ccnc(Cl)c2)C1 ZINC001700420066 1202267936 /nfs/dbraw/zinc/26/79/36/1202267936.db2.gz OCRHDYGURYHUEP-CHWSQXEVSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1cc(C)ccc1OC ZINC001753482348 1202271025 /nfs/dbraw/zinc/27/10/25/1202271025.db2.gz DMYVADHBBMCOGT-MRXNPFEDSA-N 0 3 318.461 3.200 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001753491767 1202273804 /nfs/dbraw/zinc/27/38/04/1202273804.db2.gz ZHCRUPMGXADXJQ-RTBURBONSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001700443283 1202273959 /nfs/dbraw/zinc/27/39/59/1202273959.db2.gz ZVNVGVXDYQBAQQ-SOUVJXGZSA-N 0 3 312.885 3.249 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2(CC)CCCCC2)cc1 ZINC001753592517 1202295703 /nfs/dbraw/zinc/29/57/03/1202295703.db2.gz QGZWISBQLYQCOI-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2CCC(C3CC3)CC2)cc1 ZINC001753592694 1202295738 /nfs/dbraw/zinc/29/57/38/1202295738.db2.gz YFXJYJCPQWHZOS-UHFFFAOYSA-N 0 3 324.468 3.242 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@H](NCc1nccs1)C(C)C ZINC001700505054 1202297831 /nfs/dbraw/zinc/29/78/31/1202297831.db2.gz XXDMELVLXXALIY-AWEZNQCLSA-N 0 3 323.506 3.318 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(CC)ccn2)CCCC1 ZINC001753664619 1202308722 /nfs/dbraw/zinc/30/87/22/1202308722.db2.gz YLYHVDRNZZIHCR-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001700563840 1202313325 /nfs/dbraw/zinc/31/33/25/1202313325.db2.gz OOWJOJWUFTXQNH-ZWAJWSPZSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001700564276 1202313426 /nfs/dbraw/zinc/31/34/26/1202313426.db2.gz UHGLBZOPFJZMDF-APWZRJJASA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001753688725 1202314109 /nfs/dbraw/zinc/31/41/09/1202314109.db2.gz CMRFGZFCICWZBN-KGLIPLIRSA-N 0 3 322.399 3.122 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CC/C=C/c2ccccc2)C(C)(C)C1 ZINC001700574582 1202317099 /nfs/dbraw/zinc/31/70/99/1202317099.db2.gz QCYZSEIOCASRAL-CWIMXHLESA-N 0 3 324.468 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001753707283 1202317763 /nfs/dbraw/zinc/31/77/63/1202317763.db2.gz WRULTSYCZXIKCK-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001700578382 1202318481 /nfs/dbraw/zinc/31/84/81/1202318481.db2.gz OECQQTYKQHFELR-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(C)(F)F)C(C)(C)C1 ZINC001700579302 1202319110 /nfs/dbraw/zinc/31/91/10/1202319110.db2.gz VLEUBOFFWUXRBY-LBPRGKRZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001753715339 1202319941 /nfs/dbraw/zinc/31/99/41/1202319941.db2.gz VEQWPSVDPMBCRF-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN CC(C)C[C@H](CNCc1ccccc1Cl)NC(=O)[C@H](C)C#N ZINC001753732498 1202323685 /nfs/dbraw/zinc/32/36/85/1202323685.db2.gz ICHGKFWVMYYYJI-UKRRQHHQSA-N 0 3 321.852 3.120 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cncs1)CC(C)C ZINC001753739037 1202325892 /nfs/dbraw/zinc/32/58/92/1202325892.db2.gz VGESWUHUGCRZPM-CQSZACIVSA-N 0 3 323.506 3.366 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001700650799 1202329348 /nfs/dbraw/zinc/32/93/48/1202329348.db2.gz DKSDRMGLFUMQEH-AHQMPEJBSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(C)oc(C)c1C ZINC001700664964 1202330969 /nfs/dbraw/zinc/33/09/69/1202330969.db2.gz RDUYPWRMNJBEPD-NSHDSACASA-N 0 3 312.841 3.445 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c(C)oc(C)c1C ZINC001700664947 1202330919 /nfs/dbraw/zinc/33/09/19/1202330919.db2.gz RDUYPWRMNJBEPD-LLVKDONJSA-N 0 3 312.841 3.445 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001700675231 1202332324 /nfs/dbraw/zinc/33/23/24/1202332324.db2.gz CYRSQHDATYLYIP-QWHCGFSZSA-N 0 3 314.882 3.479 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cc(C)ns1 ZINC001753804588 1202336671 /nfs/dbraw/zinc/33/66/71/1202336671.db2.gz IFRBEQBCFIIQPF-CZUORRHYSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCCc1ccccc1Cl ZINC001700751598 1202348356 /nfs/dbraw/zinc/34/83/56/1202348356.db2.gz JBOQDGKTVIHYTF-HNNXBMFYSA-N 0 3 320.864 3.123 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC001700779785 1202354092 /nfs/dbraw/zinc/35/40/92/1202354092.db2.gz FTFNYFYAAUYVOY-HOTGVXAUSA-N 0 3 300.446 3.274 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001700817201 1202355296 /nfs/dbraw/zinc/35/52/96/1202355296.db2.gz CJQMHBCCQPQKRT-IEBWSBKVSA-N 0 3 324.468 3.219 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001700822389 1202355894 /nfs/dbraw/zinc/35/58/94/1202355894.db2.gz PVHPZYTYSIEYJJ-AZUAARDMSA-N 0 3 324.468 3.364 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(CCC)c(C)s2)C1 ZINC001700850027 1202358771 /nfs/dbraw/zinc/35/87/71/1202358771.db2.gz BPXQVJIZLMTTNV-CZUORRHYSA-N 0 3 318.486 3.225 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001700857505 1202359704 /nfs/dbraw/zinc/35/97/04/1202359704.db2.gz DNUUPRCEJDUSCH-OCCSQVGLSA-N 0 3 304.356 3.018 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001700856148 1202359718 /nfs/dbraw/zinc/35/97/18/1202359718.db2.gz OHTNGLGKUAHDDK-PKOBYXMFSA-N 0 3 314.429 3.085 20 30 DGEDHN C=CCCC[N@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001700856148 1202359719 /nfs/dbraw/zinc/35/97/19/1202359719.db2.gz OHTNGLGKUAHDDK-PKOBYXMFSA-N 0 3 314.429 3.085 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001700881434 1202364656 /nfs/dbraw/zinc/36/46/56/1202364656.db2.gz VXWZMCLZXRGDRI-SJLPKXTDSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cnco2)[C@H]1C ZINC001700882513 1202365109 /nfs/dbraw/zinc/36/51/09/1202365109.db2.gz SYFGOBPGGFGCKL-HUUCEWRRSA-N 0 3 305.422 3.004 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001700882500 1202365132 /nfs/dbraw/zinc/36/51/32/1202365132.db2.gz ZIRDTQVFDBNEAK-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](CNCc2nccs2)C1 ZINC001700891953 1202366959 /nfs/dbraw/zinc/36/69/59/1202366959.db2.gz NUMDRBWJBDVPAG-ZIAGYGMSSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2nc(C)cs2)C1 ZINC001700902667 1202367915 /nfs/dbraw/zinc/36/79/15/1202367915.db2.gz QQJZUMLHDKQTRX-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2csc(C)n2)C1 ZINC001700901885 1202367959 /nfs/dbraw/zinc/36/79/59/1202367959.db2.gz NBZUTVSVFXMNNI-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN CC/C=C(/C)C(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001700911807 1202369351 /nfs/dbraw/zinc/36/93/51/1202369351.db2.gz KPWCHFKEPUZLRG-WSDUQJHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001701008301 1202380427 /nfs/dbraw/zinc/38/04/27/1202380427.db2.gz HIUXUYINBBZMQE-CRAIPNDOSA-N 0 3 322.468 3.145 20 30 DGEDHN CN(C(=O)CCC1(C)CC1)C1CC(NCC#Cc2ccccc2)C1 ZINC001701024605 1202382953 /nfs/dbraw/zinc/38/29/53/1202382953.db2.gz UBWDTXFITPMAHH-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2(C(F)(F)F)CC2)C1 ZINC001701027546 1202383337 /nfs/dbraw/zinc/38/33/37/1202383337.db2.gz KLGPGBJQOMLSLE-UHFFFAOYSA-N 0 3 324.774 3.051 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@H]2C(C)C)c(F)c1 ZINC001701068225 1202386583 /nfs/dbraw/zinc/38/65/83/1202386583.db2.gz ZIJMQIWDHKAGNW-HOTGVXAUSA-N 0 3 304.409 3.010 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cccc(C)c1Cl ZINC001707045466 1202568776 /nfs/dbraw/zinc/56/87/76/1202568776.db2.gz FWXXPIIPQAFIQX-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001707054833 1202570091 /nfs/dbraw/zinc/57/00/91/1202570091.db2.gz LXGXKPLGWNHWKL-ZWKOTPCHSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2cccc(C)c2)C1 ZINC001707085077 1202572629 /nfs/dbraw/zinc/57/26/29/1202572629.db2.gz KCJNMIYCGHBKNB-QAQDUYKDSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001707091521 1202572944 /nfs/dbraw/zinc/57/29/44/1202572944.db2.gz CWCVCFXCBKHYID-JYJNAYRXSA-N 0 3 320.864 3.335 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001707221318 1202576772 /nfs/dbraw/zinc/57/67/72/1202576772.db2.gz OIRQEFVEBWFBBJ-KGLIPLIRSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C)(C)CC(F)(F)F)[C@H]1C ZINC001707263845 1202579021 /nfs/dbraw/zinc/57/90/21/1202579021.db2.gz MMELHRBCFZITOZ-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1sc(C)cc1C ZINC001707272996 1202579897 /nfs/dbraw/zinc/57/98/97/1202579897.db2.gz KMTNMYZLMLIOLI-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(C)Cc1ccc(F)c(F)c1 ZINC001712964776 1202606836 /nfs/dbraw/zinc/60/68/36/1202606836.db2.gz ZOAUJNFUXHDDEV-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001712975850 1202607643 /nfs/dbraw/zinc/60/76/43/1202607643.db2.gz OWMBWYDFCDCJDQ-IBGZPJMESA-N 0 3 314.473 3.025 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2ccc(F)cc2F)CC1 ZINC001713057685 1202613398 /nfs/dbraw/zinc/61/33/98/1202613398.db2.gz WBBRCNGREDCMAZ-UHFFFAOYSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)CCCCCC)CC1 ZINC001713097722 1202616867 /nfs/dbraw/zinc/61/68/67/1202616867.db2.gz YMDREKVREYVRJT-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H](CN(C)C[C@@H](F)CC)C1 ZINC001713129728 1202620186 /nfs/dbraw/zinc/62/01/86/1202620186.db2.gz UYMJEPRKMPDGOB-SJORKVTESA-N 0 3 310.457 3.099 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCO[C@@H](C)CC(C)C ZINC001713140063 1202621450 /nfs/dbraw/zinc/62/14/50/1202621450.db2.gz OHGPLMOEHVCTKG-OKZBNKHCSA-N 0 3 322.493 3.079 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCOC1 ZINC001713139530 1202621517 /nfs/dbraw/zinc/62/15/17/1202621517.db2.gz VQRDCIQCYBORBS-OKZBNKHCSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccco1 ZINC001713144257 1202621781 /nfs/dbraw/zinc/62/17/81/1202621781.db2.gz WKCPZHNHVWEDKM-YESZJQIVSA-N 0 3 316.445 3.100 20 30 DGEDHN CCC(CC)CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001713203900 1202626425 /nfs/dbraw/zinc/62/64/25/1202626425.db2.gz DWYHPPNAZWWLTH-KDURUIRLSA-N 0 3 312.457 3.101 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001713220184 1202628399 /nfs/dbraw/zinc/62/83/99/1202628399.db2.gz GQDQGUADELTENF-QZTJIDSGSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CC/C=C/c2ccccc2)C1 ZINC001713219713 1202628571 /nfs/dbraw/zinc/62/85/71/1202628571.db2.gz VPGKGINCNSLKGE-ACGJQVIASA-N 0 3 324.468 3.332 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccccc1Cl ZINC001713258650 1202632668 /nfs/dbraw/zinc/63/26/68/1202632668.db2.gz BKCBGPAIPFPLEA-OAHLLOKOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC(C)=O ZINC001713269830 1202633622 /nfs/dbraw/zinc/63/36/22/1202633622.db2.gz KZZNFRMMZCUAOU-ROUUACIJSA-N 0 3 320.477 3.167 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCCC ZINC001713271228 1202633941 /nfs/dbraw/zinc/63/39/41/1202633941.db2.gz ZHCLHOYFILZRTQ-ROUUACIJSA-N 0 3 304.478 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001713279802 1202634924 /nfs/dbraw/zinc/63/49/24/1202634924.db2.gz UREOYXZOTDLSIQ-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001713289102 1202636125 /nfs/dbraw/zinc/63/61/25/1202636125.db2.gz PEYCDSZZGRRASJ-QQFBHYJXSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001713400685 1202645813 /nfs/dbraw/zinc/64/58/13/1202645813.db2.gz JOXXYTGWMCSKGS-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN CC(C)=CC(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001713425748 1202648395 /nfs/dbraw/zinc/64/83/95/1202648395.db2.gz PHWRYDRHTLSMLX-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001713466093 1202653910 /nfs/dbraw/zinc/65/39/10/1202653910.db2.gz OWVWQBDDFWQKAD-LJQANCHMSA-N 0 3 302.462 3.454 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)Cc1ccc(C2CC2)cc1 ZINC001713483661 1202657573 /nfs/dbraw/zinc/65/75/73/1202657573.db2.gz GKSJPYIMXROEGH-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001713515783 1202663609 /nfs/dbraw/zinc/66/36/09/1202663609.db2.gz APLAEILVDFMLNC-XLIONFOSSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001713519936 1202664226 /nfs/dbraw/zinc/66/42/26/1202664226.db2.gz KKSHRMMCLPHWFO-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001713527793 1202665429 /nfs/dbraw/zinc/66/54/29/1202665429.db2.gz FEGOBIQIKNWHFD-JKSUJKDBSA-N 0 3 316.420 3.128 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2cc(C)c(C)cc2o1)C1CC1 ZINC001713564633 1202671188 /nfs/dbraw/zinc/67/11/88/1202671188.db2.gz FJUQYSDLZBTDTP-UHFFFAOYSA-N 0 3 312.413 3.430 20 30 DGEDHN C=CCCC[NH2+][C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001713696162 1202678244 /nfs/dbraw/zinc/67/82/44/1202678244.db2.gz AAUCXGUIUKPYGS-SFHVURJKSA-N 0 3 324.424 3.419 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(C(C)(F)F)CC1)c1ccccc1 ZINC001713701024 1202678659 /nfs/dbraw/zinc/67/86/59/1202678659.db2.gz KPHIUFAFWGYBRQ-OAHLLOKOSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccccc1C1CCC1)C1CC1 ZINC001713776268 1202689349 /nfs/dbraw/zinc/68/93/49/1202689349.db2.gz XKGKXWPDWDFNBR-UHFFFAOYSA-N 0 3 310.441 3.172 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001713794301 1202691844 /nfs/dbraw/zinc/69/18/44/1202691844.db2.gz LPURMLXHPLTPGW-STQMWFEESA-N 0 3 310.438 3.436 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2ccccc2F)C2CC2)C1 ZINC001713875353 1202697929 /nfs/dbraw/zinc/69/79/29/1202697929.db2.gz FBWXGSDYUAWFSS-QGZVFWFLSA-N 0 3 316.420 3.166 20 30 DGEDHN CCCC(=O)N1CCC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001713886686 1202699060 /nfs/dbraw/zinc/69/90/60/1202699060.db2.gz UPIJNWKFHVLNNH-LJQANCHMSA-N 0 3 312.457 3.009 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001713904171 1202701040 /nfs/dbraw/zinc/70/10/40/1202701040.db2.gz SROIVQVLPHJKCC-NXHRZFHOSA-N 0 3 313.445 3.034 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001713916127 1202701984 /nfs/dbraw/zinc/70/19/84/1202701984.db2.gz FLJPOYHGXZBJBM-KRWDZBQOSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCCCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001713916080 1202702046 /nfs/dbraw/zinc/70/20/46/1202702046.db2.gz DAIDKUSAAYSSSO-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC)c1ccccc1 ZINC001713941788 1202704276 /nfs/dbraw/zinc/70/42/76/1202704276.db2.gz MUAMHYZOPRDXPE-FHWLQOOXSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001713958239 1202706164 /nfs/dbraw/zinc/70/61/64/1202706164.db2.gz WTXLOOJGRSFMNQ-PKOBYXMFSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001713964281 1202708177 /nfs/dbraw/zinc/70/81/77/1202708177.db2.gz NARWESDSLMDDMR-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001713971962 1202711051 /nfs/dbraw/zinc/71/10/51/1202711051.db2.gz PRSOIIUZVOMPLV-CQSZACIVSA-N 0 3 306.475 3.471 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001713975036 1202711811 /nfs/dbraw/zinc/71/18/11/1202711811.db2.gz IKKCQCPLKUIPAM-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2sc(CCC)nc2C)C1 ZINC001713986731 1202716351 /nfs/dbraw/zinc/71/63/51/1202716351.db2.gz PQMQJIGFUHKRAP-CQSZACIVSA-N 0 3 321.490 3.174 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001713998804 1202721250 /nfs/dbraw/zinc/72/12/50/1202721250.db2.gz SBHZHMQKIBYTQV-SFHVURJKSA-N 0 3 323.440 3.004 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001714003566 1202723777 /nfs/dbraw/zinc/72/37/77/1202723777.db2.gz HIUGVDLCJMGBJN-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001714026205 1202735057 /nfs/dbraw/zinc/73/50/57/1202735057.db2.gz ZJCGINVRVHFJDI-WMLDXEAASA-N 0 3 304.409 3.038 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001714033964 1202741515 /nfs/dbraw/zinc/74/15/15/1202741515.db2.gz KBTLTIFGWSWPEC-OAHLLOKOSA-N 0 3 318.486 3.126 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCc2ccsc2)C1 ZINC001714041183 1202745650 /nfs/dbraw/zinc/74/56/50/1202745650.db2.gz WEPPPOWOEGYXAP-INIZCTEOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001714042175 1202746548 /nfs/dbraw/zinc/74/65/48/1202746548.db2.gz ATRKTHJKUKWXNS-HNNXBMFYSA-N 0 3 318.486 3.433 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001714046887 1202748896 /nfs/dbraw/zinc/74/88/96/1202748896.db2.gz OGIFTGRTGKHFPW-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H]1CCCN(CC#CC)C1)c1ccccc1 ZINC001714047568 1202750345 /nfs/dbraw/zinc/75/03/45/1202750345.db2.gz BUSPKBLHBZSMFV-RTBURBONSA-N 0 3 324.468 3.198 20 30 DGEDHN CC[C@@H](CNC(=O)c1ccccc1C)NCC#Cc1ccccc1 ZINC001714053359 1202754086 /nfs/dbraw/zinc/75/40/86/1202754086.db2.gz OWBPNLFYCSFKAH-IBGZPJMESA-N 0 3 320.436 3.145 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCC(C)(F)F)CCCC1 ZINC001714136969 1202796564 /nfs/dbraw/zinc/79/65/64/1202796564.db2.gz FCRXRMVZKILTDU-UHFFFAOYSA-N 0 3 308.800 3.193 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2Cc3ccccc32)CCCC1 ZINC001714140464 1202798081 /nfs/dbraw/zinc/79/80/81/1202798081.db2.gz LGLFGOQTUUKZSS-MRXNPFEDSA-N 0 3 318.848 3.097 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CC#CC ZINC001714146311 1202801648 /nfs/dbraw/zinc/80/16/48/1202801648.db2.gz UXKQEVQWXXKNAV-ZWKOTPCHSA-N 0 3 316.489 3.458 20 30 DGEDHN C=C[C@@H](CC(=O)NC1(CNCCF)CCCC1)c1ccccc1 ZINC001714151913 1202805264 /nfs/dbraw/zinc/80/52/64/1202805264.db2.gz QFLABYCGTSZTSA-INIZCTEOSA-N 0 3 318.436 3.334 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC/C=C\c2ccccc2)C1 ZINC001714153442 1202806672 /nfs/dbraw/zinc/80/66/72/1202806672.db2.gz HVDSAEYSIQCUTB-QJWLNXOLSA-N 0 3 324.468 3.330 20 30 DGEDHN CCCCC(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001714159628 1202810583 /nfs/dbraw/zinc/81/05/83/1202810583.db2.gz LERFXGZCQMGFCZ-HXUWFJFHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)c1ccco1)C1CC1 ZINC001714171875 1202815546 /nfs/dbraw/zinc/81/55/46/1202815546.db2.gz KYSCWPXUGVNEOT-LRDDRELGSA-N 0 3 310.825 3.010 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)c1ccccc1)C1CC1 ZINC001714173577 1202816211 /nfs/dbraw/zinc/81/62/11/1202816211.db2.gz CHUODBGSSGGORA-RDTXWAMCSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(CCF)CC2)C1 ZINC001714219612 1202836301 /nfs/dbraw/zinc/83/63/01/1202836301.db2.gz WZMAVBBEYPRIHU-AWEZNQCLSA-N 0 3 316.848 3.097 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001714232819 1202841912 /nfs/dbraw/zinc/84/19/12/1202841912.db2.gz UMLWAXMSAHIDID-BHYGNILZSA-N 0 3 324.896 3.393 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C23CC(C(C)(C)C)(C2)C3)cc1 ZINC001714324003 1202882590 /nfs/dbraw/zinc/88/25/90/1202882590.db2.gz XUZWWUQFWCEYPY-UHFFFAOYSA-N 0 3 324.468 3.242 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1ccncc1Cl ZINC001714421218 1202922798 /nfs/dbraw/zinc/92/27/98/1202922798.db2.gz XAWPYHWTOJHVIX-ZDUSSCGKSA-N 0 3 323.868 3.179 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCC(C)(F)F)CCCC1 ZINC001714496694 1202963396 /nfs/dbraw/zinc/96/33/96/1202963396.db2.gz XNTYJZHZLQRURW-UHFFFAOYSA-N 0 3 308.800 3.193 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](C)n1cccc1 ZINC001714510725 1202972122 /nfs/dbraw/zinc/97/21/22/1202972122.db2.gz AESIIWJZYDRRHV-HOTGVXAUSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001714558791 1203002278 /nfs/dbraw/zinc/00/22/78/1203002278.db2.gz COJFKUZTYUGBIA-UHFFFAOYSA-N 0 3 308.853 3.242 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(CC(C)C)CCCC1 ZINC001714616327 1203050804 /nfs/dbraw/zinc/05/08/04/1203050804.db2.gz HGRDIOMPNDULSO-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)Cc1ccccc1F)C1CC1 ZINC001714672908 1203094593 /nfs/dbraw/zinc/09/45/93/1203094593.db2.gz FRXLFBQCHMVAHL-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@H](C)CNCc1ccccc1Cl ZINC001714725904 1203110044 /nfs/dbraw/zinc/11/00/44/1203110044.db2.gz UMTJTEHFTZDTQA-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001714777256 1203123726 /nfs/dbraw/zinc/12/37/26/1203123726.db2.gz QFRYTJVBSVISOQ-LLVKDONJSA-N 0 3 307.265 3.344 20 30 DGEDHN CC(C)=CC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001714810904 1203134512 /nfs/dbraw/zinc/13/45/12/1203134512.db2.gz AZLDTSHNAMPMHL-UHFFFAOYSA-N 0 3 312.457 3.221 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CCC(F)(F)F)c1ccccc1 ZINC001714833556 1203145109 /nfs/dbraw/zinc/14/51/09/1203145109.db2.gz DZAXCNCCWIOHOK-AWEZNQCLSA-N 0 3 314.351 3.352 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001714841039 1203147366 /nfs/dbraw/zinc/14/73/66/1203147366.db2.gz TYPGUMLJZOXPPD-HZPDHXFCSA-N 0 3 322.399 3.445 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC(C)C ZINC001714850760 1203150663 /nfs/dbraw/zinc/15/06/63/1203150663.db2.gz LYMPRHCSLPRFAI-SCTDSRPQSA-N 0 3 322.493 3.079 20 30 DGEDHN CCC(=O)N[C@@H](CNCC#Cc1ccccc1Cl)CC(C)C ZINC001714909175 1203193244 /nfs/dbraw/zinc/19/32/44/1203193244.db2.gz STVBOTOTCUTQSR-MRXNPFEDSA-N 0 3 320.864 3.222 20 30 DGEDHN CCC(=O)N[C@H](CNCC#Cc1ccccc1Cl)CC(C)C ZINC001714909174 1203193686 /nfs/dbraw/zinc/19/36/86/1203193686.db2.gz STVBOTOTCUTQSR-INIZCTEOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cnccc1C)CC(C)C ZINC001714927466 1203203878 /nfs/dbraw/zinc/20/38/78/1203203878.db2.gz OXAQYIRLUZDJBQ-KRWDZBQOSA-N 0 3 317.477 3.223 20 30 DGEDHN C=CCCC(=O)NCC1CN(Cc2c(C)cc(C)cc2C)C1 ZINC001714960353 1203219213 /nfs/dbraw/zinc/21/92/13/1203219213.db2.gz GVOIWTVZVJSLEP-UHFFFAOYSA-N 0 3 300.446 3.126 20 30 DGEDHN C#CCCCCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001714963781 1203219478 /nfs/dbraw/zinc/21/94/78/1203219478.db2.gz UGWZYIHRXLDYQJ-QGZVFWFLSA-N 0 3 312.457 3.298 20 30 DGEDHN C=CC1(CC(=O)NCC2CN(CC[C@@H](C)F)C2)CCCCC1 ZINC001714978266 1203224280 /nfs/dbraw/zinc/22/42/80/1203224280.db2.gz KYYDDEQXXYGBMX-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCc2ccccc21 ZINC001714985682 1203226036 /nfs/dbraw/zinc/22/60/36/1203226036.db2.gz PJYBBZQWVJKPNO-QYZOEREBSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CC[C@H](C(=O)N(C)[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001715027411 1203243171 /nfs/dbraw/zinc/24/31/71/1203243171.db2.gz BBURSZPHVPWNBP-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001715050501 1203255400 /nfs/dbraw/zinc/25/54/00/1203255400.db2.gz AEDAAVWPXISDDT-CRAIPNDOSA-N 0 3 318.436 3.098 20 30 DGEDHN CC[C@@H](CNC(=O)c1c(C)coc1C)NCC#Cc1ccccc1 ZINC001715062271 1203259756 /nfs/dbraw/zinc/25/97/56/1203259756.db2.gz XVPPNYKGRBZYFW-SFHVURJKSA-N 0 3 324.424 3.046 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](CC)NCc1cc(F)cc(F)c1 ZINC001715065711 1203260549 /nfs/dbraw/zinc/26/05/49/1203260549.db2.gz AHSQLPDZBKAJTM-KRWDZBQOSA-N 0 3 322.399 3.143 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2cccc(F)c2F)CCCC1 ZINC001715086509 1203268755 /nfs/dbraw/zinc/26/87/55/1203268755.db2.gz DUHHJHILLGENSF-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001715232861 1203300835 /nfs/dbraw/zinc/30/08/35/1203300835.db2.gz RCIVLMRMNYFWAM-CYBMUJFWSA-N 0 3 324.415 3.409 20 30 DGEDHN CCC(CC)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001715320014 1203314900 /nfs/dbraw/zinc/31/49/00/1203314900.db2.gz CTUSJLWRXKSXFP-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001715327837 1203316374 /nfs/dbraw/zinc/31/63/74/1203316374.db2.gz GUKNUYAKTIKXBO-CYBMUJFWSA-N 0 3 324.827 3.219 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001715338935 1203318917 /nfs/dbraw/zinc/31/89/17/1203318917.db2.gz YYJOIGAGEVBYQY-ZWKOTPCHSA-N 0 3 314.473 3.301 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001715357086 1203323143 /nfs/dbraw/zinc/32/31/43/1203323143.db2.gz HBTHXESHGCITMG-LMNJBCLMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(C)C ZINC001715500033 1203353561 /nfs/dbraw/zinc/35/35/61/1203353561.db2.gz ZWZSEEPKWOAORJ-MGPQQGTHSA-N 0 3 300.874 3.152 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCC(F)(F)C1)C(C)C ZINC001715505242 1203354648 /nfs/dbraw/zinc/35/46/48/1203354648.db2.gz ZNZQHZBWDJBANG-QWHCGFSZSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccsc1Cl)C(C)C ZINC001715508121 1203355590 /nfs/dbraw/zinc/35/55/90/1203355590.db2.gz ZABJPQZGTGDMHP-LLVKDONJSA-N 0 3 321.273 3.498 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001715512830 1203357296 /nfs/dbraw/zinc/35/72/96/1203357296.db2.gz DWZZBFPINYERQT-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)c2cccnc12 ZINC001715523286 1203360363 /nfs/dbraw/zinc/36/03/63/1203360363.db2.gz JKDYCLVZAQXIKW-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001715525723 1203361547 /nfs/dbraw/zinc/36/15/47/1203361547.db2.gz FGGOIZRZJQEAQR-GDBMZVCRSA-N 0 3 304.434 3.091 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1c(C)cccc1C ZINC001715528264 1203361651 /nfs/dbraw/zinc/36/16/51/1203361651.db2.gz ADZKZQSYNXFEJL-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001715534179 1203365298 /nfs/dbraw/zinc/36/52/98/1203365298.db2.gz IWVPPAOUWLQWAN-HXUWFJFHSA-N 0 3 314.473 3.321 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC001715534842 1203365342 /nfs/dbraw/zinc/36/53/42/1203365342.db2.gz FACVKKHRJVQSKJ-UHFFFAOYSA-N 0 3 314.351 3.285 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001715534178 1203365725 /nfs/dbraw/zinc/36/57/25/1203365725.db2.gz IWVPPAOUWLQWAN-FQEVSTJZSA-N 0 3 314.473 3.321 20 30 DGEDHN Cc1ccc(F)c(CN[C@H](CNC(=O)C#CC(C)C)C(C)C)c1 ZINC001715544649 1203368687 /nfs/dbraw/zinc/36/86/87/1203368687.db2.gz BPRWNCJREGMOBT-GOSISDBHSA-N 0 3 318.436 3.024 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(Cl)c1F ZINC001715680127 1203380549 /nfs/dbraw/zinc/38/05/49/1203380549.db2.gz QHSXKAUPZAWOJH-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001715685003 1203380877 /nfs/dbraw/zinc/38/08/77/1203380877.db2.gz PXRNJUUPXOBOOR-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CN[C@@H](C)c1cccc(Cl)c1 ZINC001715813280 1203394951 /nfs/dbraw/zinc/39/49/51/1203394951.db2.gz WXYYWQYKUOSOMX-LFAOLKIESA-N 0 3 318.848 3.467 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001715826414 1203396195 /nfs/dbraw/zinc/39/61/95/1203396195.db2.gz LULGHRBIGIXCLO-WDEACKLOSA-N 0 3 304.478 3.124 20 30 DGEDHN C=CCC1(C(=O)NC/C=C/CNCc2ccsc2)CCC1 ZINC001715863255 1203398614 /nfs/dbraw/zinc/39/86/14/1203398614.db2.gz BZOXJNSAMLSWEB-ONEGZZNKSA-N 0 3 304.459 3.257 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001715888095 1203401532 /nfs/dbraw/zinc/40/15/32/1203401532.db2.gz GKNYDUQDRYEXLG-LGZALOBFSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001715908533 1203402433 /nfs/dbraw/zinc/40/24/33/1203402433.db2.gz GSCWMQPVLBWBNM-UHFFFAOYSA-N 0 3 300.446 3.073 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001715978701 1203415147 /nfs/dbraw/zinc/41/51/47/1203415147.db2.gz LNKOYHNNICOPRY-YVEFUNNKSA-N 0 3 322.399 3.403 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001715990861 1203417406 /nfs/dbraw/zinc/41/74/06/1203417406.db2.gz WVJFAUBXQNIVQI-AWEZNQCLSA-N 0 3 317.408 3.038 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)C#CC(C)(C)C ZINC001716027202 1203428013 /nfs/dbraw/zinc/42/80/13/1203428013.db2.gz HBDAFXWJTFCYKQ-CQSZACIVSA-N 0 3 320.864 3.326 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001716041672 1203433045 /nfs/dbraw/zinc/43/30/45/1203433045.db2.gz UYUKRXOPMGFPQC-KDOFPFPSSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1nccs1 ZINC001716068447 1203438586 /nfs/dbraw/zinc/43/85/86/1203438586.db2.gz ZUOPDWPUKAJRAP-ZIAGYGMSSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1cc(O)ccc1Cl ZINC001716142944 1203443271 /nfs/dbraw/zinc/44/32/71/1203443271.db2.gz FRUJTJQRBXZSFX-CYBMUJFWSA-N 0 3 324.852 3.386 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C)[nH]c2ccccc21 ZINC001716155001 1203444125 /nfs/dbraw/zinc/44/41/25/1203444125.db2.gz DCUAOHOLTCAQHK-LBPRGKRZSA-N 0 3 319.836 3.327 20 30 DGEDHN C=CCCC(=O)N(CC)CCN[C@H]1CCc2c1cc(F)cc2F ZINC001716209137 1203449514 /nfs/dbraw/zinc/44/95/14/1203449514.db2.gz RAPPTBWAEYNPQY-KRWDZBQOSA-N 0 3 322.399 3.356 20 30 DGEDHN CCC(=CC(=O)N(CC)CCNCc1ccc(C#N)cc1)CC ZINC001716212319 1203450109 /nfs/dbraw/zinc/45/01/09/1203450109.db2.gz DJBLANKKGQFBMY-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN CCN(CCN[C@H](C)c1ccc(F)c(F)c1)C(=O)C#CC(C)C ZINC001716216838 1203450519 /nfs/dbraw/zinc/45/05/19/1203450519.db2.gz QDSULTQKEPDGEB-CQSZACIVSA-N 0 3 322.399 3.123 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1ccc(F)cc1 ZINC001716242335 1203453246 /nfs/dbraw/zinc/45/32/46/1203453246.db2.gz WUNBJVFABVNFJH-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C1CCC(CCCC)CC1 ZINC001716252796 1203454034 /nfs/dbraw/zinc/45/40/34/1203454034.db2.gz NYAAPJWCPLOGBH-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC1CC(C)(C)C1 ZINC001716450056 1203475940 /nfs/dbraw/zinc/47/59/40/1203475940.db2.gz KLSPMXMUAULFSV-LBPRGKRZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccccc2Cl)C1 ZINC001716452323 1203476856 /nfs/dbraw/zinc/47/68/56/1203476856.db2.gz YNVNLBQHSBSPIA-ZDUSSCGKSA-N 0 3 306.837 3.291 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001716473074 1203482494 /nfs/dbraw/zinc/48/24/94/1203482494.db2.gz NGNKHMMNDNAWMX-SUMWQHHRSA-N 0 3 304.409 3.216 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCc1ccc(C)c(Cl)c1 ZINC001716488056 1203488169 /nfs/dbraw/zinc/48/81/69/1203488169.db2.gz FYGKXWNJEMZVGZ-CQSZACIVSA-N 0 3 308.853 3.204 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001716504717 1203495757 /nfs/dbraw/zinc/49/57/57/1203495757.db2.gz SRUJVKMHJPALEJ-OLZOCXBDSA-N 0 3 306.475 3.109 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1ocnc1C ZINC001716517938 1203498178 /nfs/dbraw/zinc/49/81/78/1203498178.db2.gz IZHKWMQCUQGIOS-JKSUJKDBSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nccs2)[C@H](CC)C1 ZINC001716634571 1203510353 /nfs/dbraw/zinc/51/03/53/1203510353.db2.gz CKJFATVYPGGJTI-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cccc(Cl)c1F ZINC001716664382 1203518969 /nfs/dbraw/zinc/51/89/69/1203518969.db2.gz RLBHXYFOYJGHOR-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CC(C)(C)C(F)(F)F ZINC001716668825 1203520542 /nfs/dbraw/zinc/52/05/42/1203520542.db2.gz BSRZXPZWMBUPQX-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001716670256 1203520968 /nfs/dbraw/zinc/52/09/68/1203520968.db2.gz DAMLQWGYGYVCER-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001716670299 1203521008 /nfs/dbraw/zinc/52/10/08/1203521008.db2.gz DAMLQWGYGYVCER-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC(C)(C)c1ccccc1 ZINC001716672064 1203521951 /nfs/dbraw/zinc/52/19/51/1203521951.db2.gz WTHQJOAUFAPGMH-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001716690240 1203525593 /nfs/dbraw/zinc/52/55/93/1203525593.db2.gz YXGWDGDVJIULKX-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)=C(C)C ZINC001716712138 1203530132 /nfs/dbraw/zinc/53/01/32/1203530132.db2.gz XSFXZNYAOBDDGT-MSOLQXFVSA-N 0 3 320.477 3.001 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001716723918 1203532912 /nfs/dbraw/zinc/53/29/12/1203532912.db2.gz UGYZXHNHBSRCOZ-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001716734449 1203534223 /nfs/dbraw/zinc/53/42/23/1203534223.db2.gz BKESBBRNSGFKTO-OALUTQOASA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN(C(=O)CCc1ccc(C)cc1)C1CCN(CC=C)CC1 ZINC001716806912 1203545490 /nfs/dbraw/zinc/54/54/90/1203545490.db2.gz FMEIFOUWKTUIIO-UHFFFAOYSA-N 0 3 324.468 3.040 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001716848473 1203555174 /nfs/dbraw/zinc/55/51/74/1203555174.db2.gz DRBQTOVCNAMXPG-BEFAXECRSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC001716850602 1203555622 /nfs/dbraw/zinc/55/56/22/1203555622.db2.gz OLWWQUZAGYKKEE-OFGIBPIPSA-N 0 3 316.489 3.360 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@](C)(CNCc2nccs2)C1 ZINC001716873520 1203559590 /nfs/dbraw/zinc/55/95/90/1203559590.db2.gz UJSUOSJAHIENBE-IAGOWNOFSA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2(C)CCC(C)CC2)CC1 ZINC001716889824 1203562593 /nfs/dbraw/zinc/56/25/93/1203562593.db2.gz ZQRVEKHBBGQNRA-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(C)c2C)C1 ZINC001716901166 1203566426 /nfs/dbraw/zinc/56/64/26/1203566426.db2.gz COZZPUGPXVLMTQ-LJQANCHMSA-N 0 3 300.446 3.321 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001716902246 1203566772 /nfs/dbraw/zinc/56/67/72/1203566772.db2.gz ZSPKLVMKDNKDMT-PKOBYXMFSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccccc1 ZINC001717006383 1203576630 /nfs/dbraw/zinc/57/66/30/1203576630.db2.gz MVTFUCPCELODCL-SFHVURJKSA-N 0 3 320.436 3.042 20 30 DGEDHN C=C1CCC(C(=O)N(CCNCC#CC)Cc2ccccc2)CC1 ZINC001717006858 1203576647 /nfs/dbraw/zinc/57/66/47/1203576647.db2.gz GZBWCALXWRMKMJ-UHFFFAOYSA-N 0 3 324.468 3.375 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCc1ccccc1 ZINC001717035967 1203580155 /nfs/dbraw/zinc/58/01/55/1203580155.db2.gz OZFCRRQDQMFKTA-VQTJNVASSA-N 0 3 324.468 3.098 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001717042936 1203581415 /nfs/dbraw/zinc/58/14/15/1203581415.db2.gz NIIDXOWVUVWEJD-OKZBNKHCSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001717103538 1203585011 /nfs/dbraw/zinc/58/50/11/1203585011.db2.gz FRIKCXOCCMLSEH-CABCVRRESA-N 0 3 300.874 3.393 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)CC)cc1 ZINC001717115042 1203586339 /nfs/dbraw/zinc/58/63/39/1203586339.db2.gz IKNNNGMZIDVPOC-CVEARBPZSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccc(OC)cc1 ZINC001717117259 1203586778 /nfs/dbraw/zinc/58/67/78/1203586778.db2.gz QWQFVXDSTSXTSL-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001717123350 1203588343 /nfs/dbraw/zinc/58/83/43/1203588343.db2.gz WBHRWZVMWKUQHR-MPGHIAIKSA-N 0 3 319.449 3.042 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001717158018 1203593012 /nfs/dbraw/zinc/59/30/12/1203593012.db2.gz HAPLSOYGXMMVIJ-MRXNPFEDSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001717201229 1203598955 /nfs/dbraw/zinc/59/89/55/1203598955.db2.gz WUKJCALIPQLXOH-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001717212270 1203603430 /nfs/dbraw/zinc/60/34/30/1203603430.db2.gz BCPIOXAIFOSVFG-KRWDZBQOSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1CCCC ZINC001717244089 1203609060 /nfs/dbraw/zinc/60/90/60/1203609060.db2.gz QETOTDFZPVDMNT-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001717244515 1203609078 /nfs/dbraw/zinc/60/90/78/1203609078.db2.gz ZHNJEOGWXLKRAP-PZJWPPBQSA-N 0 3 324.468 3.462 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001717334302 1203620082 /nfs/dbraw/zinc/62/00/82/1203620082.db2.gz RUVGZAGXQHZNBB-ZIAGYGMSSA-N 0 3 318.383 3.102 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(Cl)s1 ZINC001717342795 1203622242 /nfs/dbraw/zinc/62/22/42/1203622242.db2.gz YVXLAERCBXFOKK-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CSC(C)C ZINC001717359934 1203625093 /nfs/dbraw/zinc/62/50/93/1203625093.db2.gz HWABCAMSWDHZDO-SJLPKXTDSA-N 0 3 318.486 3.076 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363494 1203625802 /nfs/dbraw/zinc/62/58/02/1203625802.db2.gz JVBLEQBPWLLGPG-CVEARBPZSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363494 1203625803 /nfs/dbraw/zinc/62/58/03/1203625803.db2.gz JVBLEQBPWLLGPG-CVEARBPZSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(CC)cc1 ZINC001717376076 1203629980 /nfs/dbraw/zinc/62/99/80/1203629980.db2.gz JJZYTNWTJQTGBO-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CCCC1CC1 ZINC001717423062 1203640942 /nfs/dbraw/zinc/64/09/42/1203640942.db2.gz OGXWXRLTXXDFKM-STQMWFEESA-N 0 3 319.474 3.183 20 30 DGEDHN CC(C)=CC(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001717449381 1203647213 /nfs/dbraw/zinc/64/72/13/1203647213.db2.gz SGFXISRNXIBEGN-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN CCCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001717462134 1203650174 /nfs/dbraw/zinc/65/01/74/1203650174.db2.gz DCDLUJAJVBYJPX-OAHLLOKOSA-N 0 3 301.434 3.075 20 30 DGEDHN C=CCOCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001717467151 1203653515 /nfs/dbraw/zinc/65/35/15/1203653515.db2.gz WJCPCEWFCHWHQV-UONOGXRCSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2conc2CC)CCCCC1 ZINC001717522813 1203671004 /nfs/dbraw/zinc/67/10/04/1203671004.db2.gz UIMISYIEBMBBTR-UHFFFAOYSA-N 0 3 319.449 3.112 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2cncs2)CCCCC1 ZINC001717527341 1203671926 /nfs/dbraw/zinc/67/19/26/1203671926.db2.gz KYKSWITYZOYIDF-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CN(Cc3ccc(C)cc3)C2)C1 ZINC001717557362 1203681304 /nfs/dbraw/zinc/68/13/04/1203681304.db2.gz UVBJBTCPHFAXBS-MRXNPFEDSA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCc2ccsc2)C(C)(C)C1 ZINC001717582257 1203685869 /nfs/dbraw/zinc/68/58/69/1203685869.db2.gz FOSKPXBBZMSPLD-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](C)CCCCCC)C(C)(C)C1 ZINC001717586292 1203687153 /nfs/dbraw/zinc/68/71/53/1203687153.db2.gz IVAXBSFVHIHKRG-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)CCCCCC)C(C)(C)C1 ZINC001717586290 1203687358 /nfs/dbraw/zinc/68/73/58/1203687358.db2.gz IVAXBSFVHIHKRG-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2ccncc2Cl)C1 ZINC001717647282 1203693895 /nfs/dbraw/zinc/69/38/95/1203693895.db2.gz XPTDAHGICNPBAD-CTYIDZIISA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001717647645 1203693907 /nfs/dbraw/zinc/69/39/07/1203693907.db2.gz DFOKIITXIUWPDK-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1scnc1Cl ZINC001717695486 1203699715 /nfs/dbraw/zinc/69/97/15/1203699715.db2.gz IEYCUIKADWGCIM-VIFPVBQESA-N 0 3 322.261 3.037 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H](C)NC[C@H](F)CC)CCCCC1 ZINC001717757978 1203711712 /nfs/dbraw/zinc/71/17/12/1203711712.db2.gz RYLDSYLKGWXANY-JKSUJKDBSA-N 0 3 310.457 3.145 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001717798228 1203713617 /nfs/dbraw/zinc/71/36/17/1203713617.db2.gz KOFOMBUSTRIJRH-CRAIPNDOSA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@@H]1C ZINC001717814485 1203715894 /nfs/dbraw/zinc/71/58/94/1203715894.db2.gz YONNIMVQISLWCM-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001717825494 1203716936 /nfs/dbraw/zinc/71/69/36/1203716936.db2.gz GUOASMFOBMCBIF-NVXWUHKLSA-N 0 3 324.424 3.266 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001717825495 1203717061 /nfs/dbraw/zinc/71/70/61/1203717061.db2.gz GUOASMFOBMCBIF-RDJZCZTQSA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCCCC(=O)N[C@]12CCC[C@@H]1N(Cc1cccnc1)CC2 ZINC001717843691 1203720279 /nfs/dbraw/zinc/72/02/79/1203720279.db2.gz YKTXVTPXGZHOQF-HKUYNNGSSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2(C)CCCC2)[C@H]1C ZINC001717852474 1203721728 /nfs/dbraw/zinc/72/17/28/1203721728.db2.gz QTVWTCHSZLYZLR-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccc(Cl)nc2)C(C)(C)C1 ZINC001717890763 1203729015 /nfs/dbraw/zinc/72/90/15/1203729015.db2.gz SHLUQGTWTLYZMW-AWEZNQCLSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001717903958 1203730482 /nfs/dbraw/zinc/73/04/82/1203730482.db2.gz CGMNBMJQUIKCMN-DOTOQJQBSA-N 0 3 318.436 3.142 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1Cc2ccc(F)cc21)C(C)C ZINC001717950519 1203733607 /nfs/dbraw/zinc/73/36/07/1203733607.db2.gz QKMYISUEGBCGMJ-GOSISDBHSA-N 0 3 318.436 3.210 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1Cc2c1cccc2Cl)C(C)C ZINC001717953008 1203734547 /nfs/dbraw/zinc/73/45/47/1203734547.db2.gz VHYUKVIDTAMCAP-MRXNPFEDSA-N 0 3 320.864 3.335 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2c(C)oc3ccccc32)CC1 ZINC001718035340 1203745354 /nfs/dbraw/zinc/74/53/54/1203745354.db2.gz AVILMIHLQFPBIY-UHFFFAOYSA-N 0 3 324.424 3.218 20 30 DGEDHN C#CCCCC(=O)N(C)CCCNCc1cccc(F)c1Cl ZINC001723012619 1203956302 /nfs/dbraw/zinc/95/63/02/1203956302.db2.gz XJRGROYKDCQJDE-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1cccc(Cl)c1 ZINC001723110877 1203957737 /nfs/dbraw/zinc/95/77/37/1203957737.db2.gz HJXCPZUYMXEBAB-UHFFFAOYSA-N 0 3 315.244 3.073 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2cccc(F)c2o1 ZINC001723200552 1203959962 /nfs/dbraw/zinc/95/99/62/1203959962.db2.gz INMJEFHAOXAXAT-UHFFFAOYSA-N 0 3 324.783 3.376 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001723482691 1203977914 /nfs/dbraw/zinc/97/79/14/1203977914.db2.gz OGWOFULOCQCEJZ-ZFWWWQNUSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1sccc1CC ZINC001723485229 1203978124 /nfs/dbraw/zinc/97/81/24/1203978124.db2.gz VXCGPSUJPBRKDB-UKRRQHHQSA-N 0 3 306.475 3.469 20 30 DGEDHN N#Cc1ccc(CNC2(CNC(=O)C3=CCCCCC3)CC2)cc1 ZINC001723509673 1203979726 /nfs/dbraw/zinc/97/97/26/1203979726.db2.gz UJHQGLHDOPOYEY-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN CC(C)=C(C)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001723544393 1203981612 /nfs/dbraw/zinc/98/16/12/1203981612.db2.gz ABYFTZKUGXXSSQ-UHFFFAOYSA-N 0 3 311.429 3.043 20 30 DGEDHN C=CCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C ZINC001723625339 1203985701 /nfs/dbraw/zinc/98/57/01/1203985701.db2.gz RWFRKQSSXGPBPA-CABCVRRESA-N 0 3 319.474 3.097 20 30 DGEDHN C=CCCOCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC(C)C ZINC001723704936 1203989423 /nfs/dbraw/zinc/98/94/23/1203989423.db2.gz OWYPXMCVNILWKZ-HDICACEKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001723998159 1204000835 /nfs/dbraw/zinc/00/08/35/1204000835.db2.gz ZEGSYAAQQPCXSK-OAHLLOKOSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1(C)CCN(CCOCC(C)C)CC1 ZINC001724006375 1204001268 /nfs/dbraw/zinc/00/12/68/1204001268.db2.gz LUCDWNMLGYYYNL-UHFFFAOYSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1(C)CC1)c1ccc2ccccc2c1 ZINC001724072795 1204003313 /nfs/dbraw/zinc/00/33/13/1204003313.db2.gz VMBOYCDURDPBLY-SFHVURJKSA-N 0 3 306.409 3.020 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC(CC)CC)C2 ZINC001724126778 1204006206 /nfs/dbraw/zinc/00/62/06/1204006206.db2.gz XQRWNTCCNBKAHF-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc3ccccc3o2)C1 ZINC001724344013 1204024233 /nfs/dbraw/zinc/02/42/33/1204024233.db2.gz WYAXPLNXEMQTHZ-LJQANCHMSA-N 0 3 312.413 3.451 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001724618887 1204033670 /nfs/dbraw/zinc/03/36/70/1204033670.db2.gz ZSLYCYYHAXUCND-SLFFLAALSA-N 0 3 324.468 3.064 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CCC=C(C)C ZINC001724651155 1204036104 /nfs/dbraw/zinc/03/61/04/1204036104.db2.gz HCSNBLZRXRKBTI-IPMKNSEASA-N 0 3 316.489 3.458 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](CCC)C(C)C)[C@@H]2C1 ZINC001724659827 1204037696 /nfs/dbraw/zinc/03/76/96/1204037696.db2.gz UPZPUBZWLJPLCZ-RCCFBDPRSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001724703703 1204038718 /nfs/dbraw/zinc/03/87/18/1204038718.db2.gz DFAGDKREOLZUBG-CQSZACIVSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccc(C)c2F)C1 ZINC001724708433 1204039079 /nfs/dbraw/zinc/03/90/79/1204039079.db2.gz WAAHFRWWSIXMIF-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](CC)CC(F)F)C1 ZINC001724717631 1204039405 /nfs/dbraw/zinc/03/94/05/1204039405.db2.gz WAXFIMJLCFNIPR-QWHCGFSZSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](CC)CC(F)F)C1 ZINC001724717610 1204039431 /nfs/dbraw/zinc/03/94/31/1204039431.db2.gz WAXFIMJLCFNIPR-OLZOCXBDSA-N 0 3 322.827 3.249 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC001724741224 1204041764 /nfs/dbraw/zinc/04/17/64/1204041764.db2.gz NPHOUWPEANMTDF-OAHLLOKOSA-N 0 3 324.399 3.430 20 30 DGEDHN CC[C@@H](F)CN[C@H](C)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001724741285 1204042366 /nfs/dbraw/zinc/04/23/66/1204042366.db2.gz IWBXDSNRKBVZIM-RDTXWAMCSA-N 0 3 316.420 3.115 20 30 DGEDHN C#CCCCCC(=O)NCc1ccc([C@H](C)NCC#CC)cc1 ZINC001724746839 1204043067 /nfs/dbraw/zinc/04/30/67/1204043067.db2.gz VRMJTWPTEMSNBR-KRWDZBQOSA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)C(C)C)cc1 ZINC001724747486 1204043143 /nfs/dbraw/zinc/04/31/43/1204043143.db2.gz XDNWYYTVBALUKU-OAHLLOKOSA-N 0 3 300.446 3.269 20 30 DGEDHN C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001724748153 1204043153 /nfs/dbraw/zinc/04/31/53/1204043153.db2.gz YPULTWCYHBWCKK-HDJSIYSDSA-N 0 3 322.836 3.023 20 30 DGEDHN CC(C)=CCN1CCc2c(CNC(=O)C#CC(C)C)cccc2C1 ZINC001724777489 1204045356 /nfs/dbraw/zinc/04/53/56/1204045356.db2.gz RHDVAPKOXJWZMW-UHFFFAOYSA-N 0 3 324.468 3.287 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC001724846896 1204054933 /nfs/dbraw/zinc/05/49/33/1204054933.db2.gz UWBKJOOREFUKBK-IEBWSBKVSA-N 0 3 312.457 3.174 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C\CC)C1 ZINC001724865107 1204060928 /nfs/dbraw/zinc/06/09/28/1204060928.db2.gz VPBUPAWAKMRMSQ-KWFFUSLTSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)C#CC(C)C ZINC001725015440 1204080105 /nfs/dbraw/zinc/08/01/05/1204080105.db2.gz ZZHMOWQDVJRXNL-HXUWFJFHSA-N 0 3 324.468 3.328 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1c2ccccc2CCN1CC(C)C ZINC001725013399 1204080159 /nfs/dbraw/zinc/08/01/59/1204080159.db2.gz ONMAYNQRGFACGO-LJQANCHMSA-N 0 3 312.457 3.017 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)Cc1ccccc1 ZINC001725045353 1204084660 /nfs/dbraw/zinc/08/46/60/1204084660.db2.gz FYDVHWJVUINSEU-MOPGFXCFSA-N 0 3 314.473 3.364 20 30 DGEDHN Cc1cc(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)c(C)o1 ZINC001725083652 1204091074 /nfs/dbraw/zinc/09/10/74/1204091074.db2.gz VJEBJVZGAKELIW-HZPDHXFCSA-N 0 3 324.424 3.045 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2ccns2)CCCC1 ZINC001725124326 1204099387 /nfs/dbraw/zinc/09/93/87/1204099387.db2.gz ZHVSRPUBNLDBNP-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001725136020 1204101235 /nfs/dbraw/zinc/10/12/35/1204101235.db2.gz TVKYCWWKTZEPCI-CHWSQXEVSA-N 0 3 319.474 3.183 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccccc1C(C)C ZINC001725160388 1204106670 /nfs/dbraw/zinc/10/66/70/1204106670.db2.gz MGEACROTCFDDBT-QGZVFWFLSA-N 0 3 314.473 3.406 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(Cl)c2occc21 ZINC001725186954 1204115342 /nfs/dbraw/zinc/11/53/42/1204115342.db2.gz JQCLSBBDGVCIIS-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001725240339 1204125635 /nfs/dbraw/zinc/12/56/35/1204125635.db2.gz IBKBKUGCJKZPIJ-CQSZACIVSA-N 0 3 314.420 3.359 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001725242353 1204126162 /nfs/dbraw/zinc/12/61/62/1204126162.db2.gz MDZWDXGWIGEERO-AQWUKCDYSA-N 0 3 324.468 3.392 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCF)CC2(C)C)CCCCC1 ZINC001725297682 1204135145 /nfs/dbraw/zinc/13/51/45/1204135145.db2.gz LJXIULOWQXPZFM-MRXNPFEDSA-N 0 3 322.468 3.146 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CCCc3ccsc3)C2)C1 ZINC001725338844 1204138646 /nfs/dbraw/zinc/13/86/46/1204138646.db2.gz QADUJSSTBXQEMA-UHFFFAOYSA-N 0 3 318.486 3.181 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2ncccc2o1 ZINC001725391552 1204144645 /nfs/dbraw/zinc/14/46/45/1204144645.db2.gz BGGDHMCJICDPGC-LBPRGKRZSA-N 0 3 321.808 3.068 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(F)cc1)CC2 ZINC001725583511 1204172159 /nfs/dbraw/zinc/17/21/59/1204172159.db2.gz BBFYEDFEAZNFRR-MJGOQNOKSA-N 0 3 316.420 3.405 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1N(C[C@@H](F)CC)CC2 ZINC001725607497 1204178658 /nfs/dbraw/zinc/17/86/58/1204178658.db2.gz KTXLBGAJCFGMCL-DAYGRLMNSA-N 0 3 310.457 3.450 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)C3CCCCC3)CCC[C@@H]12 ZINC001725611809 1204179624 /nfs/dbraw/zinc/17/96/24/1204179624.db2.gz PSSATRWTGGKQKA-YVWKXTFCSA-N 0 3 316.489 3.339 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cccs2)[C@@H]1C ZINC001725645250 1204190287 /nfs/dbraw/zinc/19/02/87/1204190287.db2.gz ZFJNBSGSQPLXSW-HOCLYGCPSA-N 0 3 306.475 3.226 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCC(C)=C(C)C1)C(C)C ZINC001725729071 1204201733 /nfs/dbraw/zinc/20/17/33/1204201733.db2.gz ZALJZPNXGWPXDY-SFHVURJKSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)c1cccc(F)c1)C(C)C ZINC001725733152 1204205131 /nfs/dbraw/zinc/20/51/31/1204205131.db2.gz PHAOQYSURHZAEE-INIZCTEOSA-N 0 3 318.436 3.121 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)CC2CCCCC2)CC1 ZINC001725764145 1204215673 /nfs/dbraw/zinc/21/56/73/1204215673.db2.gz BCUWZXRDEONHII-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC001725828717 1204229119 /nfs/dbraw/zinc/22/91/19/1204229119.db2.gz HEVAAPIBBOZTEG-ZDUSSCGKSA-N 0 3 320.383 3.003 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)c(F)c1 ZINC001725832799 1204229730 /nfs/dbraw/zinc/22/97/30/1204229730.db2.gz GOZAEWJPTMPPDV-APWZRJJASA-N 0 3 318.436 3.400 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccsc2C)c(F)c1 ZINC001725836501 1204230209 /nfs/dbraw/zinc/23/02/09/1204230209.db2.gz GMTJMFQJXTUKSL-UHFFFAOYSA-N 0 3 318.417 3.401 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC001731288660 1204363099 /nfs/dbraw/zinc/36/30/99/1204363099.db2.gz GRPUTAGACMKPBP-RIEFBQKVSA-N 0 3 322.836 3.405 20 30 DGEDHN CC(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1ccccc1Cl ZINC001731290079 1204363848 /nfs/dbraw/zinc/36/38/48/1204363848.db2.gz QKMKJODKRXCGEN-KSSFIOAISA-N 0 3 318.848 3.071 20 30 DGEDHN CCN(CCCNC(=O)C1(CC)CC1)Cc1ccc(C#N)s1 ZINC001731316316 1204372513 /nfs/dbraw/zinc/37/25/13/1204372513.db2.gz QLBBOVHXASGGIK-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001731374800 1204387147 /nfs/dbraw/zinc/38/71/47/1204387147.db2.gz IARJBJSFIROIHR-OALUTQOASA-N 0 3 312.457 3.030 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCC)C2CCN(CC=C)CC2)cc1 ZINC001731388036 1204392866 /nfs/dbraw/zinc/39/28/66/1204392866.db2.gz ZXUHZOFNVRECMA-UHFFFAOYSA-N 0 3 310.441 3.171 20 30 DGEDHN CCCCCC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001731393541 1204396047 /nfs/dbraw/zinc/39/60/47/1204396047.db2.gz NGNSDXFLMIKVCA-LJQANCHMSA-N 0 3 312.457 3.103 20 30 DGEDHN C[C@H]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001731477340 1204425759 /nfs/dbraw/zinc/42/57/59/1204425759.db2.gz GFHKKXOVPGNASE-FRYIKTPZSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001731507816 1204437835 /nfs/dbraw/zinc/43/78/35/1204437835.db2.gz GWYDUWHCESSLBZ-MSOLQXFVSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001731507852 1204438321 /nfs/dbraw/zinc/43/83/21/1204438321.db2.gz WNCDPUMTXOYVHK-MJGOQNOKSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001731545294 1204454833 /nfs/dbraw/zinc/45/48/33/1204454833.db2.gz YNSUEZRDVSXEPN-HOTGVXAUSA-N 0 3 316.445 3.331 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC001731591545 1204475397 /nfs/dbraw/zinc/47/53/97/1204475397.db2.gz SRKAMRAUFKKXRC-QWHCGFSZSA-N 0 3 324.827 3.294 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001731591544 1204475617 /nfs/dbraw/zinc/47/56/17/1204475617.db2.gz SRKAMRAUFKKXRC-OLZOCXBDSA-N 0 3 324.827 3.294 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cc(C)ns2)CCCC1 ZINC001731642657 1204495442 /nfs/dbraw/zinc/49/54/42/1204495442.db2.gz OXGWSXGNXNZFHU-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001731669838 1204499883 /nfs/dbraw/zinc/49/98/83/1204499883.db2.gz WXTLNCJARSVSHP-BPLGCGBFSA-N 0 3 317.260 3.100 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001731669836 1204500065 /nfs/dbraw/zinc/50/00/65/1204500065.db2.gz WXTLNCJARSVSHP-ALFJJAPYSA-N 0 3 317.260 3.100 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001731690166 1204506089 /nfs/dbraw/zinc/50/60/89/1204506089.db2.gz NVSWLJSKKCWZBD-MSOLQXFVSA-N 0 3 311.429 3.041 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CC2(c3ccccc3)CC2)C1 ZINC001731716887 1204519488 /nfs/dbraw/zinc/51/94/88/1204519488.db2.gz XCRWVUBPBLKMME-LJQANCHMSA-N 0 3 324.468 3.054 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1occc1C ZINC001731743120 1204532150 /nfs/dbraw/zinc/53/21/50/1204532150.db2.gz QVQZYVATYAZRPX-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)Cc2ccc(CF)cc2)CCC1 ZINC001731785259 1204556566 /nfs/dbraw/zinc/55/65/66/1204556566.db2.gz SDLMYARZUUPIGC-UHFFFAOYSA-N 0 3 318.436 3.451 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN(Cc3cccc(F)c3)C2)C1 ZINC001731853405 1204602362 /nfs/dbraw/zinc/60/23/62/1204602362.db2.gz CGLDYTFGEVNHJI-INIZCTEOSA-N 0 3 316.420 3.120 20 30 DGEDHN CC(C)C#CC(=O)NCCN(Cc1ccccc1C1CC1)C1CC1 ZINC001731874665 1204616710 /nfs/dbraw/zinc/61/67/10/1204616710.db2.gz CTEQQEHXSMJCMM-UHFFFAOYSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2ccc(F)c(F)c2)CC1 ZINC001731950881 1204635212 /nfs/dbraw/zinc/63/52/12/1204635212.db2.gz OVRBHFDRMDVANO-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc[nH]c1C(C)C)c1ccccc1 ZINC001732020856 1204651513 /nfs/dbraw/zinc/65/15/13/1204651513.db2.gz BSALECGCZYJDIE-KRWDZBQOSA-N 0 3 311.429 3.385 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001732022381 1204652562 /nfs/dbraw/zinc/65/25/62/1204652562.db2.gz ITKAQCYWKHYCQR-JKSUJKDBSA-N 0 3 322.399 3.445 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC001732022375 1204652668 /nfs/dbraw/zinc/65/26/68/1204652668.db2.gz ITKAQCYWKHYCQR-CVEARBPZSA-N 0 3 322.399 3.445 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C ZINC001732032952 1204655927 /nfs/dbraw/zinc/65/59/27/1204655927.db2.gz VYDKJOPUYYBVBA-BGYRXZFFSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C[C@@H](CC(=O)NCC[C@H]1CCN(CCF)C1)c1ccccc1 ZINC001732058964 1204674278 /nfs/dbraw/zinc/67/42/78/1204674278.db2.gz DVKSHEFRPVPSEW-IRXDYDNUSA-N 0 3 318.436 3.144 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001732077698 1204682254 /nfs/dbraw/zinc/68/22/54/1204682254.db2.gz POVNYCBHMNGLSD-KRWDZBQOSA-N 0 3 323.440 3.118 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001732084305 1204686336 /nfs/dbraw/zinc/68/63/36/1204686336.db2.gz VVNWIMRSSBJJKP-MRXNPFEDSA-N 0 3 318.436 3.462 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001732084883 1204688028 /nfs/dbraw/zinc/68/80/28/1204688028.db2.gz YSLYHCRBMGZQOC-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCCCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001732124868 1204703224 /nfs/dbraw/zinc/70/32/24/1204703224.db2.gz MKIYFGXOXIIALO-QGZVFWFLSA-N 0 3 312.457 3.298 20 30 DGEDHN C#CCCCCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001732124867 1204703538 /nfs/dbraw/zinc/70/35/38/1204703538.db2.gz MKIYFGXOXIIALO-KRWDZBQOSA-N 0 3 312.457 3.298 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001732132187 1204706433 /nfs/dbraw/zinc/70/64/33/1204706433.db2.gz VWLFZQZQIFGAMF-JKSUJKDBSA-N 0 3 300.446 3.398 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1cc2ccccc2o1 ZINC001732199185 1204745357 /nfs/dbraw/zinc/74/53/57/1204745357.db2.gz XILWLCFJZFSROI-MRXNPFEDSA-N 0 3 312.413 3.221 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cccc(F)c2C)cc1 ZINC001732316242 1204789085 /nfs/dbraw/zinc/78/90/85/1204789085.db2.gz KPWICUOVPZPZBD-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1ccc(CNCc2cccnc2)cc1 ZINC001732319712 1204790449 /nfs/dbraw/zinc/79/04/49/1204790449.db2.gz VFLVWPCSHKYWII-UHFFFAOYSA-N 0 3 323.440 3.200 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001732436053 1204839432 /nfs/dbraw/zinc/83/94/32/1204839432.db2.gz LBYCNQPCRWCMME-FXAWDEMLSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001732436063 1204839610 /nfs/dbraw/zinc/83/96/10/1204839610.db2.gz LBYCNQPCRWCMME-XLIONFOSSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001732526980 1204882184 /nfs/dbraw/zinc/88/21/84/1204882184.db2.gz VRONMCCDPJYJIV-LSDHHAIUSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(C)C ZINC001732561689 1204897492 /nfs/dbraw/zinc/89/74/92/1204897492.db2.gz GYOUANMHAYRURA-JONQDZQNSA-N 0 3 312.885 3.296 20 30 DGEDHN CCc1ccc(CN(C)CCN(C)C(=O)C#CC(C)(C)C)cc1 ZINC001732581888 1204908321 /nfs/dbraw/zinc/90/83/21/1204908321.db2.gz SEOGYUFGGPLBKV-UHFFFAOYSA-N 0 3 314.473 3.189 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2scnc21 ZINC001732691465 1204930001 /nfs/dbraw/zinc/93/00/01/1204930001.db2.gz AACPELYMQLSTCM-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2cnoc2C)CCCC1 ZINC001732756499 1204938661 /nfs/dbraw/zinc/93/86/61/1204938661.db2.gz IVVUZJGTWLCUCG-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C[C@@H](NC/C=C/CNC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC001732850534 1204951854 /nfs/dbraw/zinc/95/18/54/1204951854.db2.gz WIXQHFSVUFOLTA-LLYBFZRZSA-N 0 3 316.420 3.198 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2ccc(Cl)cc2)C1 ZINC001732897813 1204956463 /nfs/dbraw/zinc/95/64/63/1204956463.db2.gz QXIKTCOFBUMPLK-ARJAWSKDSA-N 0 3 318.848 3.458 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001732900217 1204956622 /nfs/dbraw/zinc/95/66/22/1204956622.db2.gz MDEVVYDFEQTHLM-QWUACUGRSA-N 0 3 315.461 3.063 20 30 DGEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C2CCC=CCC2)cc1 ZINC001732937396 1204960605 /nfs/dbraw/zinc/96/06/05/1204960605.db2.gz XBBFDNKUKRLDIM-WAYWQWQTSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001733123873 1205027176 /nfs/dbraw/zinc/02/71/76/1205027176.db2.gz KJPZJBHNRPYUGB-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cncc(C)c2)CCCC1 ZINC001732983467 1204972912 /nfs/dbraw/zinc/97/29/12/1204972912.db2.gz BCMACBNGYMVGAZ-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1c(C)cccc1Cl ZINC001732993252 1204976824 /nfs/dbraw/zinc/97/68/24/1204976824.db2.gz DVEKKXUTZNPZRI-HNNXBMFYSA-N 0 3 320.864 3.436 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001733026701 1204985395 /nfs/dbraw/zinc/98/53/95/1204985395.db2.gz KAZWTQTYBZSAED-MWHIQHKOSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H](C)CNCc1cccnc1)c1ccccc1 ZINC001733027840 1204986357 /nfs/dbraw/zinc/98/63/57/1204986357.db2.gz VSSGQFUELFYPPD-FUHWJXTLSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001733035622 1204991786 /nfs/dbraw/zinc/99/17/86/1204991786.db2.gz JLKSOQVNXWJOEQ-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2c(o1)c(F)ccc2C ZINC001733046304 1204999634 /nfs/dbraw/zinc/99/96/34/1204999634.db2.gz DEKNNLCXAGLIPE-LBPRGKRZSA-N 0 3 304.365 3.116 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)CCc1ccccc1F ZINC001733051738 1205003564 /nfs/dbraw/zinc/00/35/64/1205003564.db2.gz IDGBVEPOXKTMQN-CABCVRRESA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001733068829 1205015931 /nfs/dbraw/zinc/01/59/31/1205015931.db2.gz SNJCUUSFJKKHNB-DOTOQJQBSA-N 0 3 316.445 3.237 20 30 DGEDHN CN(CCCNCc1cc(C#N)ccc1F)C(=O)CC(C)(C)C ZINC001733088529 1205022816 /nfs/dbraw/zinc/02/28/16/1205022816.db2.gz UHWLHHDEMKTKEJ-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001733117242 1205025893 /nfs/dbraw/zinc/02/58/93/1205025893.db2.gz PPSCXEYFLGOVLG-HZPDHXFCSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001733147656 1205029939 /nfs/dbraw/zinc/02/99/39/1205029939.db2.gz HYMMESFAKSAEGG-UHFFFAOYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001733179159 1205035185 /nfs/dbraw/zinc/03/51/85/1205035185.db2.gz GQJSROFSMPQXQE-MRXNPFEDSA-N 0 3 322.399 3.161 20 30 DGEDHN CCC1(C(=O)N[C@H](CNCC#Cc2ccccc2)C2CC2)CCC1 ZINC001733181269 1205035598 /nfs/dbraw/zinc/03/55/98/1205035598.db2.gz XNLCRJIUWMFCPI-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001733208082 1205043906 /nfs/dbraw/zinc/04/39/06/1205043906.db2.gz TYSUVTWQQNKBFS-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001733210061 1205045708 /nfs/dbraw/zinc/04/57/08/1205045708.db2.gz GVCACASVPDWEKH-GJZGRUSLSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(F)cc1Cl ZINC001733223173 1205052388 /nfs/dbraw/zinc/05/23/88/1205052388.db2.gz UMDOJMIEGVOJOX-OAHLLOKOSA-N 0 3 324.827 3.178 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001733223060 1205052649 /nfs/dbraw/zinc/05/26/49/1205052649.db2.gz HNLRODMNOQMQIR-HKUYNNGSSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2ccccc2C)CCC1 ZINC001733231378 1205059822 /nfs/dbraw/zinc/05/98/22/1205059822.db2.gz OLLIGTRSZNGNRK-KRWDZBQOSA-N 0 3 312.457 3.183 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001733232730 1205061443 /nfs/dbraw/zinc/06/14/43/1205061443.db2.gz IVUFESFAAGBELJ-BLLLJJGKSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001733236633 1205063712 /nfs/dbraw/zinc/06/37/12/1205063712.db2.gz JZYFQNNETYOTHL-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(NCc2ccccc2C2CC2)CC1 ZINC001733242097 1205066107 /nfs/dbraw/zinc/06/61/07/1205066107.db2.gz AWRHLIAUSBKNES-UHFFFAOYSA-N 0 3 324.468 3.352 20 30 DGEDHN CCCC[C@H](C)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001733243778 1205067017 /nfs/dbraw/zinc/06/70/17/1205067017.db2.gz QLPMXLCZFDKBGN-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CC(C)(C)CC(F)F)CC1 ZINC001733359337 1205104945 /nfs/dbraw/zinc/10/49/45/1205104945.db2.gz BXKZLGSNCHFQKI-UHFFFAOYSA-N 0 3 302.409 3.215 20 30 DGEDHN C#CCN(C(=O)c1cc(C)ccc1C)C1CCN(CC(=C)C)CC1 ZINC001733373659 1205108381 /nfs/dbraw/zinc/10/83/81/1205108381.db2.gz DSRGMEVWOQBBJM-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCc2ccccc2)C1 ZINC001733412214 1205123586 /nfs/dbraw/zinc/12/35/86/1205123586.db2.gz QGSACMCCDPRMSZ-IBGZPJMESA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](F)c2ccccc2)C1 ZINC001733465536 1205146254 /nfs/dbraw/zinc/14/62/54/1205146254.db2.gz MRODBSAASKJNHR-AEFFLSMTSA-N 0 3 304.409 3.102 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001733469574 1205147620 /nfs/dbraw/zinc/14/76/20/1205147620.db2.gz XONAQNKSPZJIMD-QQGUTBHFSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CN(CC[C@H](C)F)CCC1(F)F ZINC001733477281 1205148920 /nfs/dbraw/zinc/14/89/20/1205148920.db2.gz NLJRHQVRXZDZOW-STQMWFEESA-N 0 3 320.399 3.020 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@@H](C)NC/C(Cl)=C/Cl)C1 ZINC001733525139 1205154608 /nfs/dbraw/zinc/15/46/08/1205154608.db2.gz BEQNKOQQOWZTIT-JLLHCWJZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001733662502 1205178934 /nfs/dbraw/zinc/17/89/34/1205178934.db2.gz YASOTTSYUVHQQL-CQSZACIVSA-N 0 3 310.869 3.147 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(C)cc2)cc1 ZINC001733682028 1205183294 /nfs/dbraw/zinc/18/32/94/1205183294.db2.gz AAFRVHDHECSDRT-MRXNPFEDSA-N 0 3 306.409 3.209 20 30 DGEDHN C[C@H](NC/C=C\Cl)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001733682539 1205183998 /nfs/dbraw/zinc/18/39/98/1205183998.db2.gz SOXMVLMMBTUSAS-MLVXVWSNSA-N 0 3 316.832 3.119 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCC3CCCC3)C2)CC1 ZINC001733695435 1205187882 /nfs/dbraw/zinc/18/78/82/1205187882.db2.gz CXYDSHSZAHKGAV-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001733761467 1205201826 /nfs/dbraw/zinc/20/18/26/1205201826.db2.gz SZOAYVLFPQROCW-DUIUGDAFSA-N 0 3 324.468 3.169 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(Cl)c1C ZINC001733771798 1205209317 /nfs/dbraw/zinc/20/93/17/1205209317.db2.gz XXIWLGUYUYVXJD-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc2sccc2c1 ZINC001733779214 1205215395 /nfs/dbraw/zinc/21/53/95/1205215395.db2.gz JLBJWSDSUACSJB-UHFFFAOYSA-N 0 3 314.454 3.319 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@]3(CCN(CC#CC)C3)C2)CCC1 ZINC001733813804 1205224926 /nfs/dbraw/zinc/22/49/26/1205224926.db2.gz NFQANOKKDQJLDX-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(OC)c1 ZINC001733923998 1205256291 /nfs/dbraw/zinc/25/62/91/1205256291.db2.gz BRUCKHCYNNYWSW-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC001733932363 1205261352 /nfs/dbraw/zinc/26/13/52/1205261352.db2.gz NWBXUFNEZHCILX-SUZKBHRPSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)cc(OC)c1 ZINC001733938021 1205265956 /nfs/dbraw/zinc/26/59/56/1205265956.db2.gz SUYIFGKHTXWPKE-OAHLLOKOSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001733943142 1205267874 /nfs/dbraw/zinc/26/78/74/1205267874.db2.gz GMDCHUVPLNRHKV-PELRDEGISA-N 0 3 324.468 3.217 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001733952215 1205269391 /nfs/dbraw/zinc/26/93/91/1205269391.db2.gz SCKZGLREFSTHBI-WXRRBKDZSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CC(CNCc2c(F)cccc2F)C1 ZINC001733953808 1205269931 /nfs/dbraw/zinc/26/99/31/1205269931.db2.gz OPOTXZAAPUJVIW-UHFFFAOYSA-N 0 3 322.399 3.161 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)cc1OC ZINC001733962622 1205272320 /nfs/dbraw/zinc/27/23/20/1205272320.db2.gz HEGGDDYXIONNBG-STQMWFEESA-N 0 3 324.852 3.298 20 30 DGEDHN C[C@@H](NC(=O)C1(C)CCCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001733984404 1205278779 /nfs/dbraw/zinc/27/87/79/1205278779.db2.gz LTMUBMLRVZUNBY-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CCCc1cc(C)sc1C ZINC001734065311 1205313747 /nfs/dbraw/zinc/31/37/47/1205313747.db2.gz JSUNCZCAVUGRDV-ZDUSSCGKSA-N 0 3 308.491 3.310 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001734107091 1205325914 /nfs/dbraw/zinc/32/59/14/1205325914.db2.gz VMQNUSFUFSGCMR-DLBZAZTESA-N 0 3 316.445 3.076 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001734114828 1205328530 /nfs/dbraw/zinc/32/85/30/1205328530.db2.gz LUKLRBOSBJLWIV-IRXDYDNUSA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001734119331 1205328761 /nfs/dbraw/zinc/32/87/61/1205328761.db2.gz NVWUPJTUXLDKQZ-OLZOCXBDSA-N 0 3 322.399 3.081 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001734121605 1205329448 /nfs/dbraw/zinc/32/94/48/1205329448.db2.gz VGFAYGQRVXGQPZ-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2C)C(C)(C)C1 ZINC001734149848 1205335959 /nfs/dbraw/zinc/33/59/59/1205335959.db2.gz MLWMRADKMCESQL-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CCC2CCCCC2)C(C)(C)C1 ZINC001734155145 1205337693 /nfs/dbraw/zinc/33/76/93/1205337693.db2.gz PGNMMWZKDGUWGT-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001734174362 1205339647 /nfs/dbraw/zinc/33/96/47/1205339647.db2.gz ULOZYHGTMDKWEV-CADBVGFASA-N 0 3 318.505 3.156 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001734174363 1205339780 /nfs/dbraw/zinc/33/97/80/1205339780.db2.gz ULOZYHGTMDKWEV-MKXGPGLRSA-N 0 3 318.505 3.156 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001734220228 1205345854 /nfs/dbraw/zinc/34/58/54/1205345854.db2.gz GTYCCEZSAOIBII-KOMQPUFPSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001734251546 1205349870 /nfs/dbraw/zinc/34/98/70/1205349870.db2.gz RWAUMEVKWCRWMZ-ZIAGYGMSSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@@H](NCc2nccs2)C(C)C)C1 ZINC001734287653 1205356725 /nfs/dbraw/zinc/35/67/25/1205356725.db2.gz DEOHGWCYLPCFJI-CQSZACIVSA-N 0 3 321.490 3.120 20 30 DGEDHN C[C@H](CN(C)C(=O)C[C@@H]1C=CCCC1)NCC#Cc1ccccc1 ZINC001734332166 1205365883 /nfs/dbraw/zinc/36/58/83/1205365883.db2.gz GVIQQIIPPWXJLP-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(CCCC)cc1 ZINC001734333385 1205366217 /nfs/dbraw/zinc/36/62/17/1205366217.db2.gz WLQSWVKOTHYIRN-INIZCTEOSA-N 0 3 300.446 3.103 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3ccsc32)C1 ZINC001734425546 1205375488 /nfs/dbraw/zinc/37/54/88/1205375488.db2.gz JDYGJOUKAFUOGP-UKRRQHHQSA-N 0 3 312.438 3.117 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H](NC[C@@H](F)CC)C(C)(C)C2)CC1 ZINC001734499310 1205387777 /nfs/dbraw/zinc/38/77/77/1205387777.db2.gz CLIYZONIJNFTNL-JKSUJKDBSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN(C)CCN(C(=O)CC(C)(C)C(F)(F)F)C(C)C ZINC001734555006 1205393076 /nfs/dbraw/zinc/39/30/76/1205393076.db2.gz WOIUBSYIUVGQQM-UHFFFAOYSA-N 0 3 308.388 3.320 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001734587854 1205401943 /nfs/dbraw/zinc/40/19/43/1205401943.db2.gz PLAGTWOYOVZMRI-HNNXBMFYSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC(CC)CC)CC2)CC1 ZINC001734605114 1205404703 /nfs/dbraw/zinc/40/47/03/1205404703.db2.gz VOLYMQKNLDPKLV-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)CCc1ccccc1 ZINC001667619458 1197370857 /nfs/dbraw/zinc/37/08/57/1197370857.db2.gz OPGAFEZSRVFVHD-IBGZPJMESA-N 0 3 302.462 3.222 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC001671429145 1197539862 /nfs/dbraw/zinc/53/98/62/1197539862.db2.gz YDVMWPWJKGVQRW-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1nc(C(C)(C)C)cs1 ZINC001635758025 1194570334 /nfs/dbraw/zinc/57/03/34/1194570334.db2.gz VEKFGKWPFBYVKX-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc(Cl)s1 ZINC001267149363 1082567164 /nfs/dbraw/zinc/56/71/64/1082567164.db2.gz SEPRQAOLIKBPDZ-JTQLQIEISA-N 0 3 321.273 3.181 20 30 DGEDHN Cc1cccc(N2CCN(CCCc3ccc(C#N)cc3)CC2)n1 ZINC001208860060 1081653917 /nfs/dbraw/zinc/65/39/17/1081653917.db2.gz GZZVASHLILODQA-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC)c(C2CC2)c1 ZINC001169791753 1081655480 /nfs/dbraw/zinc/65/54/80/1081655480.db2.gz XLOWRAXEMVHLSV-UHFFFAOYSA-N 0 3 322.836 3.035 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001266311960 1081657207 /nfs/dbraw/zinc/65/72/07/1081657207.db2.gz NLCCZTKCHNLKQY-MRXNPFEDSA-N 0 3 314.473 3.326 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001266312406 1081657330 /nfs/dbraw/zinc/65/73/30/1081657330.db2.gz ZQHHCCLWRNSVDM-OAHLLOKOSA-N 0 3 313.445 3.318 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001266315547 1081659180 /nfs/dbraw/zinc/65/91/80/1081659180.db2.gz XVLBWVZSJQWXIA-QGZVFWFLSA-N 0 3 318.486 3.249 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@H]2COCc2ccccc2)cc1 ZINC001208925998 1081668933 /nfs/dbraw/zinc/66/89/33/1081668933.db2.gz CYKHQBACJLOLFO-FQEVSTJZSA-N 0 3 306.409 3.392 20 30 DGEDHN C=CC1(CC(=O)NCCN(C)C[C@H]2CC[C@@H](C)O2)CCCCC1 ZINC001266337255 1081677669 /nfs/dbraw/zinc/67/76/69/1081677669.db2.gz CFKOPIIGVSQTPT-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001266345559 1081687719 /nfs/dbraw/zinc/68/77/19/1081687719.db2.gz WTKYRBJDUBBJRX-MSOLQXFVSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(C[C@H](CC)OC)C2)CCCCC1 ZINC001266361431 1081701688 /nfs/dbraw/zinc/70/16/88/1081701688.db2.gz MVTBHWJENRXKCY-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCC2CCCCCC2)CC1 ZINC001266373530 1081713817 /nfs/dbraw/zinc/71/38/17/1081713817.db2.gz FRJHLAAXKDIKHN-SFHVURJKSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCCCCCCN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001209430746 1081746812 /nfs/dbraw/zinc/74/68/12/1081746812.db2.gz BOMZECGWIPOFKJ-HXUWFJFHSA-N 0 3 316.489 3.302 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001108983127 1081747470 /nfs/dbraw/zinc/74/74/70/1081747470.db2.gz MQQBVHUSWZSVID-ILXRZTDVSA-N 0 3 319.474 3.225 20 30 DGEDHN C[C@H]1CCC[C@H](CCN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001167137793 1081749094 /nfs/dbraw/zinc/74/90/94/1081749094.db2.gz GVVLREWCHHNXPX-DLBZAZTESA-N 0 3 312.461 3.292 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C)cc(C)c1 ZINC001109043215 1081755131 /nfs/dbraw/zinc/75/51/31/1081755131.db2.gz MVHKMYNINORAJC-QYZOEREBSA-N 0 3 312.457 3.491 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001266408846 1081763918 /nfs/dbraw/zinc/76/39/18/1081763918.db2.gz VLZPLQSAVNLFRS-UHFFFAOYSA-N 0 3 305.809 3.059 20 30 DGEDHN C=Cc1ccc(C(=O)NCCCNCc2ccccc2C#N)cc1 ZINC001167229588 1081822934 /nfs/dbraw/zinc/82/29/34/1081822934.db2.gz IDTDMEFDWVEHDC-UHFFFAOYSA-N 0 3 319.408 3.111 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)COC(C)(C)C ZINC001266483918 1081887178 /nfs/dbraw/zinc/88/71/78/1081887178.db2.gz JVEZYPFEHIMRLK-CALCHBBNSA-N 0 3 324.509 3.447 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(F)F ZINC001266489966 1081891887 /nfs/dbraw/zinc/89/18/87/1081891887.db2.gz XESHZGBSNIOYKE-SOUVJXGZSA-N 0 3 314.420 3.309 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC[C@H](C)CC)C[C@H](C)O2 ZINC001111550456 1081893316 /nfs/dbraw/zinc/89/33/16/1081893316.db2.gz BQEUHZNHRXFUQF-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN Cc1ccc(C)n1C1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001167283415 1081899836 /nfs/dbraw/zinc/89/98/36/1081899836.db2.gz FKRIHVBZUFWAGZ-FQEVSTJZSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C ZINC001266501610 1081907251 /nfs/dbraw/zinc/90/72/51/1081907251.db2.gz DRFUTPDXQDSMCP-KDURUIRLSA-N 0 3 312.457 3.179 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nocc1C)C2 ZINC001109929625 1081935089 /nfs/dbraw/zinc/93/50/89/1081935089.db2.gz MJFIOPJLUKTLTH-PMPSAXMXSA-N 0 3 317.433 3.065 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](CC)CCC)C[C@@H](C)O2 ZINC001111553183 1081950518 /nfs/dbraw/zinc/95/05/18/1081950518.db2.gz WTVOBPVKLGJNQR-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sccc1C(C)C ZINC001157063557 1081957990 /nfs/dbraw/zinc/95/79/90/1081957990.db2.gz VHBBUKADMJONOG-CQSZACIVSA-N 0 3 306.475 3.335 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](F)c2ccccc2)CC1 ZINC001167340003 1081985668 /nfs/dbraw/zinc/98/56/68/1081985668.db2.gz QTUGCFANJHIKDI-OAHLLOKOSA-N 0 3 324.827 3.326 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)Cc1ccccc1C ZINC001266579457 1082024999 /nfs/dbraw/zinc/02/49/99/1082024999.db2.gz PTQPLLJQOSNUSA-GOSISDBHSA-N 0 3 314.473 3.025 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2cccc(C)c2)CC1 ZINC001113165845 1082129891 /nfs/dbraw/zinc/12/98/91/1082129891.db2.gz BMWLAKGAWIPZPV-GOSISDBHSA-N 0 3 314.473 3.427 20 30 DGEDHN C#CCCCCCC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113204905 1082139326 /nfs/dbraw/zinc/13/93/26/1082139326.db2.gz BTOAZLJZALHJBV-GOSISDBHSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cccc(C)c2)CC1 ZINC001113278294 1082166216 /nfs/dbraw/zinc/16/62/16/1082166216.db2.gz GKNYKTJPRMFPPO-QGZVFWFLSA-N 0 3 300.446 3.036 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001266755213 1082191534 /nfs/dbraw/zinc/19/15/34/1082191534.db2.gz NBZQBSGBAOUIHI-ZWKOTPCHSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C ZINC001104370608 1082240710 /nfs/dbraw/zinc/24/07/10/1082240710.db2.gz ZDKGQKGCYFCLFA-TZMCWYRMSA-N 0 3 316.848 3.095 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC001113577154 1082252394 /nfs/dbraw/zinc/25/23/94/1082252394.db2.gz XSLXOWKGACMWPV-KRWDZBQOSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCN1CCOc1ccccc1 ZINC001266836830 1082254818 /nfs/dbraw/zinc/25/48/18/1082254818.db2.gz DOZJRQNEXYCDOE-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccccc2F)CC1 ZINC001113623614 1082267632 /nfs/dbraw/zinc/26/76/32/1082267632.db2.gz SLSJXNUXYILXBL-MRXNPFEDSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cccc3cnccc32)CC1 ZINC001113633266 1082269847 /nfs/dbraw/zinc/26/98/47/1082269847.db2.gz QQAUIPYZWCRUMR-MRXNPFEDSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001266856146 1082271239 /nfs/dbraw/zinc/27/12/39/1082271239.db2.gz KGZNUGCZUHIPTD-CVEARBPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001086604935 1082280092 /nfs/dbraw/zinc/28/00/92/1082280092.db2.gz CVADMQLLGJARMC-MFKWGIFDSA-N 0 3 324.468 3.193 20 30 DGEDHN Cc1cc(Nc2cccc(CN3CCN(C)CC3)c2)ccc1C#N ZINC001204574723 1082283915 /nfs/dbraw/zinc/28/39/15/1082283915.db2.gz PVJGYFSGWBNTLG-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@H]1CCCC1(F)F ZINC001283228795 1082295946 /nfs/dbraw/zinc/29/59/46/1082295946.db2.gz HSEPFWJAEGIPMA-QWHCGFSZSA-N 0 3 322.827 3.439 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001266889864 1082306140 /nfs/dbraw/zinc/30/61/40/1082306140.db2.gz KOBADTPVJBVFSN-MSOLQXFVSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)CCOCC1CCC1 ZINC001157710694 1082331570 /nfs/dbraw/zinc/33/15/70/1082331570.db2.gz LJHROGCPNPLRNS-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN N#CC1(c2ccccc2)CCC(N2C[C@H](CO)C[C@H](F)C2)CC1 ZINC001170379450 1082363606 /nfs/dbraw/zinc/36/36/06/1082363606.db2.gz YQZFDMJVZXNIIE-SVUBNXHSSA-N 0 3 316.420 3.043 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2cc(F)cc(F)c2)CC1 ZINC001266967968 1082386246 /nfs/dbraw/zinc/38/62/46/1082386246.db2.gz LDLSXGJVRJQNCT-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001266981293 1082400767 /nfs/dbraw/zinc/40/07/67/1082400767.db2.gz HBIKVDFPQLXWLO-HIFRSBDPSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001267008157 1082427530 /nfs/dbraw/zinc/42/75/30/1082427530.db2.gz DOPIQVGEPNMPBC-HOTGVXAUSA-N 0 3 316.420 3.271 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2csc(CC)n2)C1 ZINC001267076810 1082480344 /nfs/dbraw/zinc/48/03/44/1082480344.db2.gz ATWGMAMFFYBWRP-UONOGXRCSA-N 0 3 321.490 3.189 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC001267087621 1082493383 /nfs/dbraw/zinc/49/33/83/1082493383.db2.gz UMSWQPDKRCPBCH-UONOGXRCSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)CC1CCCCC1 ZINC001167553075 1082504960 /nfs/dbraw/zinc/50/49/60/1082504960.db2.gz UUVPMXNUKMLZRU-CYBMUJFWSA-N 0 3 300.874 3.441 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC001267115385 1082533310 /nfs/dbraw/zinc/53/33/10/1082533310.db2.gz UUEVNLKCGWJLSG-HXUWFJFHSA-N 0 3 320.436 3.400 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)c(F)cc1F ZINC001267133859 1082550221 /nfs/dbraw/zinc/55/02/21/1082550221.db2.gz BEQGOVTWVVMYPT-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@@H](C)SC ZINC001267164395 1082588074 /nfs/dbraw/zinc/58/80/74/1082588074.db2.gz DXFGUUXIYVNTNT-KGLIPLIRSA-N 0 3 318.914 3.241 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)NCCCNCc1ccccc1C#N ZINC001170510011 1082604494 /nfs/dbraw/zinc/60/44/94/1082604494.db2.gz DYVGBYNZWQKHSB-INIZCTEOSA-N 0 3 315.461 3.226 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C=C(CC)CC)C[C@H]1c1ccccc1 ZINC001211573078 1082691005 /nfs/dbraw/zinc/69/10/05/1082691005.db2.gz GCSFBUGTSPUNDD-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C=C(CC)CC)C[C@@H](C)O2 ZINC001131650424 1082698574 /nfs/dbraw/zinc/69/85/74/1082698574.db2.gz UNAUFHYEUHISAS-APWZRJJASA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131650425 1082698741 /nfs/dbraw/zinc/69/87/41/1082698741.db2.gz UNAUFHYEUHISAS-LPHOPBHVSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1cccc(OC)c1C ZINC001267263016 1082721433 /nfs/dbraw/zinc/72/14/33/1082721433.db2.gz FGTSNKVRPKZLIV-KRWDZBQOSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001131909202 1082761245 /nfs/dbraw/zinc/76/12/45/1082761245.db2.gz UNFYQRAIBGOEOR-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001131959367 1082781798 /nfs/dbraw/zinc/78/17/98/1082781798.db2.gz DKNPMWIUNANQJL-MAUKXSAKSA-N 0 3 320.477 3.049 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)Cc1ccccc1 ZINC001267318480 1082787969 /nfs/dbraw/zinc/78/79/69/1082787969.db2.gz LRPAYNOTLWNPBN-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN Cc1ccccc1CN1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018687 1082796645 /nfs/dbraw/zinc/79/66/45/1082796645.db2.gz YSRYGRMAIFNPKB-HKUYNNGSSA-N 0 3 312.457 3.124 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCCF)C1 ZINC001132079501 1082810873 /nfs/dbraw/zinc/81/08/73/1082810873.db2.gz ZLMGQDSVBFPKRX-AAEUAGOBSA-N 0 3 304.837 3.094 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(Cc3ccccc3)CC2)CC[C@H]1C ZINC001132110317 1082821228 /nfs/dbraw/zinc/82/12/28/1082821228.db2.gz HOEUFWSREOBRQX-MJGOQNOKSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\c2ccccc2F)CC[C@H]1C ZINC001132129228 1082824538 /nfs/dbraw/zinc/82/45/38/1082824538.db2.gz SJHPYBFYSXETJS-LHYFVSQWSA-N 0 3 316.420 3.384 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\c2ccccc2F)CC[C@@H]1C ZINC001132129230 1082824674 /nfs/dbraw/zinc/82/46/74/1082824674.db2.gz SJHPYBFYSXETJS-YZFBUXBQSA-N 0 3 316.420 3.384 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)/C=C\c1ccc[nH]1)c1ccccc1 ZINC001267357304 1082828955 /nfs/dbraw/zinc/82/89/55/1082828955.db2.gz MIOAMBPSHLMFDD-LENZSSGSSA-N 0 3 309.413 3.051 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1C(C)(C)C1(C)C)c1ccccc1 ZINC001267357132 1082828964 /nfs/dbraw/zinc/82/89/64/1082828964.db2.gz KSOVNCXHCNKLBR-MRXNPFEDSA-N 0 3 312.457 3.139 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(C)cc2)CC[C@@H]1C ZINC001132169479 1082829244 /nfs/dbraw/zinc/82/92/44/1082829244.db2.gz PDKPTYYBHANGCW-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN O=C(C#CC1CC1)NC[C@@H](NCC1=CCCCC1)c1ccccc1 ZINC001267358419 1082830097 /nfs/dbraw/zinc/83/00/97/1082830097.db2.gz ZAFZSJKUZORJGH-HXUWFJFHSA-N 0 3 322.452 3.347 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@H](C)c1ccncc1)c1ccccc1 ZINC001267362731 1082834219 /nfs/dbraw/zinc/83/42/19/1082834219.db2.gz VIRLUALBWHCTNI-LPHOPBHVSA-N 0 3 323.440 3.208 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccccc2)CC[C@H]1C ZINC001132252196 1082854876 /nfs/dbraw/zinc/85/48/76/1082854876.db2.gz BULAIWLMKZWVKW-AEFFLSMTSA-N 0 3 300.446 3.164 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1C ZINC001104511308 1082859632 /nfs/dbraw/zinc/85/96/32/1082859632.db2.gz NLTQYQQXAIFBES-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001132302809 1082871005 /nfs/dbraw/zinc/87/10/05/1082871005.db2.gz XHFRAHSTEVFRIP-UHFFFAOYSA-N 0 3 318.461 3.282 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(CCOCCCC)C2)C1 ZINC001132288945 1082872246 /nfs/dbraw/zinc/87/22/46/1082872246.db2.gz ZLQOYYWYFOFFRX-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@H]1C ZINC001132323034 1082885986 /nfs/dbraw/zinc/88/59/86/1082885986.db2.gz XDQZMMVQUHOJFA-OLZOCXBDSA-N 0 3 306.372 3.264 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267452352 1082888617 /nfs/dbraw/zinc/88/86/17/1082888617.db2.gz IRYJXUJCOUUPLW-SFHVURJKSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CC[C@@H](C)N(CCOC)C2)CCCCC1 ZINC001132348393 1082890233 /nfs/dbraw/zinc/89/02/33/1082890233.db2.gz LUIRNLWWMNVLMB-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132444999 1082913254 /nfs/dbraw/zinc/91/32/54/1082913254.db2.gz JUKAJKJMTACSHK-NWDGAFQWSA-N 0 3 306.372 3.120 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001267465531 1082916845 /nfs/dbraw/zinc/91/68/45/1082916845.db2.gz GZJPXSUOQLPIJQ-GVDBMIGSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCOC)C2)CCCCC1 ZINC001132508292 1082930246 /nfs/dbraw/zinc/93/02/46/1082930246.db2.gz GVCCWPDIQOCQPC-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cc(F)ccc2F)CC[C@H]1C ZINC001132524793 1082934174 /nfs/dbraw/zinc/93/41/74/1082934174.db2.gz LKURRPVJRNXWDU-CZUORRHYSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](F)c2ccccc2)C1 ZINC001267482502 1082938469 /nfs/dbraw/zinc/93/84/69/1082938469.db2.gz TULKMXBXAAKCLU-ZWKOTPCHSA-N 0 3 316.420 3.033 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)CCCC1 ZINC001132545408 1082939068 /nfs/dbraw/zinc/93/90/68/1082939068.db2.gz BCBRWCYGKGGQEK-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@@H](C)n2cccc2)C1 ZINC001267487116 1082943952 /nfs/dbraw/zinc/94/39/52/1082943952.db2.gz APTHYRMBBWBJFQ-MSOLQXFVSA-N 0 3 317.477 3.328 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)c2ccccc2)C1 ZINC001267487660 1082944789 /nfs/dbraw/zinc/94/47/89/1082944789.db2.gz FHWPTKJMVFCNNX-MJGOQNOKSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132569013 1082947576 /nfs/dbraw/zinc/94/75/76/1082947576.db2.gz JKNBPSIGNLRSHX-NEPJUHHUSA-N 0 3 312.816 3.143 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)C(C)(C)F ZINC001267495562 1082954183 /nfs/dbraw/zinc/95/41/83/1082954183.db2.gz VAMOKAQJIPGEIH-UHFFFAOYSA-N 0 3 318.436 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1c(C)noc1C)C(C)C ZINC001267505982 1082965701 /nfs/dbraw/zinc/96/57/01/1082965701.db2.gz RPIRZMFNVNSQOY-UHFFFAOYSA-N 0 3 321.465 3.220 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132654161 1082968941 /nfs/dbraw/zinc/96/89/41/1082968941.db2.gz ZVNUHBZBSZMFEY-CYBMUJFWSA-N 0 3 324.852 3.157 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001132649800 1082972144 /nfs/dbraw/zinc/97/21/44/1082972144.db2.gz DDUNANHLJZDYQB-AWEZNQCLSA-N 0 3 300.402 3.241 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001132651374 1082972868 /nfs/dbraw/zinc/97/28/68/1082972868.db2.gz XDUSTURYLSEDDO-MRXNPFEDSA-N 0 3 318.461 3.282 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccccc1OC1CC1 ZINC001132659574 1082973263 /nfs/dbraw/zinc/97/32/63/1082973263.db2.gz ARAXBOMAUIUTMC-HNNXBMFYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001132662887 1082974489 /nfs/dbraw/zinc/97/44/89/1082974489.db2.gz LLQVNHYEMPYREA-STQMWFEESA-N 0 3 310.388 3.334 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132667684 1082975884 /nfs/dbraw/zinc/97/58/84/1082975884.db2.gz QIZWLYOSCDGRQZ-INIZCTEOSA-N 0 3 317.477 3.322 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc(Cl)s1 ZINC001132667232 1082975941 /nfs/dbraw/zinc/97/59/41/1082975941.db2.gz HPUQYHXVLSNYNH-LLVKDONJSA-N 0 3 300.855 3.210 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1c(C)oc(C)c1C)c1ccccc1 ZINC001267519403 1082978783 /nfs/dbraw/zinc/97/87/83/1082978783.db2.gz FANLBWQBSWLBSW-QGZVFWFLSA-N 0 3 312.413 3.452 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CC1CC(F)(F)C1)c1ccccc1 ZINC001267521157 1082981811 /nfs/dbraw/zinc/98/18/11/1082981811.db2.gz QUMLWKYOLCHLHD-INIZCTEOSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)c1ccccc1 ZINC001267522933 1082983188 /nfs/dbraw/zinc/98/31/88/1082983188.db2.gz NFTJMJHSRBLZEQ-YJBOKZPZSA-N 0 3 312.413 3.091 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)Cc1ccco1)c1ccccc1 ZINC001267522930 1082983611 /nfs/dbraw/zinc/98/36/11/1082983611.db2.gz NFTJMJHSRBLZEQ-CRAIPNDOSA-N 0 3 312.413 3.091 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C)cc(C)c1 ZINC001087315323 1082985500 /nfs/dbraw/zinc/98/55/00/1082985500.db2.gz ZRURTDXHAHXDNX-CEXWTWQISA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2cscn2)C1 ZINC001133074114 1083041220 /nfs/dbraw/zinc/04/12/20/1083041220.db2.gz YDUREMRJHWMXLF-CABCVRRESA-N 0 3 321.490 3.074 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(Cc2cncs2)C1 ZINC001267563658 1083044401 /nfs/dbraw/zinc/04/44/01/1083044401.db2.gz CONJEOVTTOAGOP-CABCVRRESA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2nccs2)C1 ZINC001133090920 1083048784 /nfs/dbraw/zinc/04/87/84/1083048784.db2.gz MFUCOSNHVDEWQF-GJZGRUSLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCC(=O)NCCNCc1ccccc1OC(C)C ZINC001133154582 1083061494 /nfs/dbraw/zinc/06/14/94/1083061494.db2.gz KSIRRZYJRMDMFX-UHFFFAOYSA-N 0 3 304.434 3.036 20 30 DGEDHN Cc1ccc(C#N)nc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170680534 1083103518 /nfs/dbraw/zinc/10/35/18/1083103518.db2.gz XFULCZASSNWEHW-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1C ZINC001104556352 1083106878 /nfs/dbraw/zinc/10/68/78/1083106878.db2.gz MRPFFCYDSDXMFO-UKRRQHHQSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C1CCC(C(=O)NCCNCc2ccc(F)c(Cl)c2)CC1 ZINC001133369160 1083107094 /nfs/dbraw/zinc/10/70/94/1083107094.db2.gz PLWZGQDPHZJEGG-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001133381252 1083110658 /nfs/dbraw/zinc/11/06/58/1083110658.db2.gz ZRRACATWGJXZIX-WMZOPIPTSA-N 0 3 322.399 3.260 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C(CC)CC ZINC001133382740 1083111370 /nfs/dbraw/zinc/11/13/70/1083111370.db2.gz XYJGHTHNFRKYCN-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCCC(=O)N(CCNCCF)Cc1cccc(Cl)c1 ZINC001133390698 1083113641 /nfs/dbraw/zinc/11/36/41/1083113641.db2.gz FAKDZEUESOMBSU-UHFFFAOYSA-N 0 3 312.816 3.194 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C1(CC)CC1 ZINC001133403814 1083115909 /nfs/dbraw/zinc/11/59/09/1083115909.db2.gz KONZPPOKWYWMCG-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN Cc1ccnc(C#N)c1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170688085 1083131698 /nfs/dbraw/zinc/13/16/98/1083131698.db2.gz RSGGFTXZQODCOP-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(C#N)ccc1Cl ZINC001170688324 1083135293 /nfs/dbraw/zinc/13/52/93/1083135293.db2.gz YQPKCMJSBAUNAN-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001481059872 1083141339 /nfs/dbraw/zinc/14/13/39/1083141339.db2.gz FOXNHLCMHAENGG-RBUKOAKNSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001481060738 1083142394 /nfs/dbraw/zinc/14/23/94/1083142394.db2.gz WSRBWKXJOJNOEB-HOCLYGCPSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CCC(C)C ZINC001133605931 1083162051 /nfs/dbraw/zinc/16/20/51/1083162051.db2.gz BBFKESABLRCVNB-STQMWFEESA-N 0 3 319.287 3.204 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2sc(C)nc2C)C1 ZINC001481094794 1083165599 /nfs/dbraw/zinc/16/55/99/1083165599.db2.gz BEMLKNQQWBUYPG-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC001104655478 1083176192 /nfs/dbraw/zinc/17/61/92/1083176192.db2.gz YOIPFDCLOQPLHW-UKRRQHHQSA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001481106486 1083179872 /nfs/dbraw/zinc/17/98/72/1083179872.db2.gz SUOQXFLBOYCDEI-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(O)ccc1Cl ZINC001133883727 1083205497 /nfs/dbraw/zinc/20/54/97/1083205497.db2.gz FEYGEEQHEQVBIA-CHWSQXEVSA-N 0 3 324.852 3.385 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133889466 1083208227 /nfs/dbraw/zinc/20/82/27/1083208227.db2.gz XAGIIGMIPBUPGO-KGLIPLIRSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)CCC(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001481171268 1083222799 /nfs/dbraw/zinc/22/27/99/1083222799.db2.gz WWFCKUJUZZUIQI-UHFFFAOYSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001267622531 1083225839 /nfs/dbraw/zinc/22/58/39/1083225839.db2.gz FHGNSLUYAYJBJQ-HNNXBMFYSA-N 0 3 321.490 3.392 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001267653536 1083247263 /nfs/dbraw/zinc/24/72/63/1083247263.db2.gz VGYJIUJOFOBYSL-CYBMUJFWSA-N 0 3 306.372 3.075 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(C)c(CC)o2)CC1 ZINC001167720248 1083257639 /nfs/dbraw/zinc/25/76/39/1083257639.db2.gz UCYOXZWSUPUTOO-UHFFFAOYSA-N 0 3 324.852 3.393 20 30 DGEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)s1)CC(C)(C)C ZINC001134258088 1083264546 /nfs/dbraw/zinc/26/45/46/1083264546.db2.gz ATCUNSKWNORHIC-CYBMUJFWSA-N 0 3 321.490 3.288 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(C)C ZINC001267710921 1083276948 /nfs/dbraw/zinc/27/69/48/1083276948.db2.gz DDFFURQPBUMDSE-YESZJQIVSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001134410163 1083284933 /nfs/dbraw/zinc/28/49/33/1083284933.db2.gz GJWXWOKVVZRNJV-UHFFFAOYSA-N 0 3 317.477 3.322 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134418703 1083287376 /nfs/dbraw/zinc/28/73/76/1083287376.db2.gz OBOWLCZFPSIUAA-ZIAGYGMSSA-N 0 3 319.449 3.124 20 30 DGEDHN CN(CC#Cc1ccccc1)CC1CCN(C(=O)C2(C)CC2)CC1 ZINC001267730545 1083289720 /nfs/dbraw/zinc/28/97/20/1083289720.db2.gz YVEHEXOQKLVNSR-UHFFFAOYSA-N 0 3 324.468 3.009 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001134469551 1083294250 /nfs/dbraw/zinc/29/42/50/1083294250.db2.gz FBRUKYIPXTXHQK-UONOGXRCSA-N 0 3 323.868 3.464 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134469970 1083294521 /nfs/dbraw/zinc/29/45/21/1083294521.db2.gz KNDOALIEBLDZIF-OLZOCXBDSA-N 0 3 309.479 3.181 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001481235574 1083312553 /nfs/dbraw/zinc/31/25/53/1083312553.db2.gz UUDHWAMICBUXCS-UHFFFAOYSA-N 0 3 300.402 3.337 20 30 DGEDHN Cc1ccc(CN2CC[C@H](N(C)C(=O)C#CC(C)(C)C)C2)cc1 ZINC001267761712 1083325873 /nfs/dbraw/zinc/32/58/73/1083325873.db2.gz KPHPNYYADVEYGK-SFHVURJKSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001267776647 1083340356 /nfs/dbraw/zinc/34/03/56/1083340356.db2.gz LYGVURZFSLFFBJ-DLBZAZTESA-N 0 3 324.509 3.184 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001267798174 1083353580 /nfs/dbraw/zinc/35/35/80/1083353580.db2.gz BOAJXNLSGIJHCY-CJNGLKHVSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)C)NCC#Cc1cccc(Cl)c1 ZINC001267828445 1083400623 /nfs/dbraw/zinc/40/06/23/1083400623.db2.gz XUUFNVMQKMNCID-INIZCTEOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1C ZINC001105071256 1083422875 /nfs/dbraw/zinc/42/28/75/1083422875.db2.gz PLWKIAUBRWOGRL-XJKCOSOUSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C#CC(C)C)CCCC[C@@H]1C ZINC001267865983 1083482030 /nfs/dbraw/zinc/48/20/30/1083482030.db2.gz HAYKVVCOSRLSBQ-YOEHRIQHSA-N 0 3 310.869 3.053 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cc[nH]c2CC)C1 ZINC001267883750 1083514601 /nfs/dbraw/zinc/51/46/01/1083514601.db2.gz KOMYJUHCFDSQCS-AWEZNQCLSA-N 0 3 323.868 3.162 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CCNCc2cnc(C)o2)C1 ZINC001267892559 1083524544 /nfs/dbraw/zinc/52/45/44/1083524544.db2.gz HQCDPQDVHPICPU-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H]2CCC[C@@H]2C)cc1 ZINC001267937870 1083601502 /nfs/dbraw/zinc/60/15/02/1083601502.db2.gz AQWVHJSMDQKUCO-LPHOPBHVSA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001182112832 1083624560 /nfs/dbraw/zinc/62/45/60/1083624560.db2.gz GZAGFYWZPBCGCN-QGZVFWFLSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211657772 1083668353 /nfs/dbraw/zinc/66/83/53/1083668353.db2.gz MQNHEBBTCXSNKQ-YSIASYRMSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001267969325 1083672144 /nfs/dbraw/zinc/67/21/44/1083672144.db2.gz IUTLTJHHESNUER-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)=O)C2 ZINC001110285129 1083701531 /nfs/dbraw/zinc/70/15/31/1083701531.db2.gz TXCDPYPTVOLZPC-KURKYZTESA-N 0 3 322.493 3.438 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001182423000 1083708817 /nfs/dbraw/zinc/70/88/17/1083708817.db2.gz LZNUASFZVSQVNN-GFCCVEGCSA-N 0 3 324.877 3.142 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl)C1 ZINC001268001805 1083724828 /nfs/dbraw/zinc/72/48/28/1083724828.db2.gz KHWWFNONGLAFON-RMCZBGCRSA-N 0 3 305.249 3.004 20 30 DGEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCCC)C2 ZINC001110313788 1083730968 /nfs/dbraw/zinc/73/09/68/1083730968.db2.gz UFPZQGVFYIPDRE-MLHJIOFPSA-N 0 3 322.493 3.127 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001182499882 1083736502 /nfs/dbraw/zinc/73/65/02/1083736502.db2.gz QCQVYMFJLZKQGF-LBPRGKRZSA-N 0 3 306.369 3.333 20 30 DGEDHN CN(Cc1cncc2ccccc21)C[C@H](O)c1cccc(C#N)c1 ZINC001182763394 1083789525 /nfs/dbraw/zinc/78/95/25/1083789525.db2.gz FJWGPTDGWZESHN-FQEVSTJZSA-N 0 3 317.392 3.272 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)CCC)c1ccccc1 ZINC001481369064 1083829100 /nfs/dbraw/zinc/82/91/00/1083829100.db2.gz LZEGPJQUPOVVJQ-KRWDZBQOSA-N 0 3 300.446 3.283 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CCCC1(C)C)c1ccccc1 ZINC001481369529 1083832729 /nfs/dbraw/zinc/83/27/29/1083832729.db2.gz PYKVLDCRNGGCJZ-MSOLQXFVSA-N 0 3 312.457 3.283 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC001481373102 1083834261 /nfs/dbraw/zinc/83/42/61/1083834261.db2.gz UUTVARRFBLVAJW-KRWDZBQOSA-N 0 3 316.351 3.212 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC2=CCCCC2)C1 ZINC001481393985 1083855412 /nfs/dbraw/zinc/85/54/12/1083855412.db2.gz AVTQOCZAOTVTHD-SFHVURJKSA-N 0 3 302.462 3.213 20 30 DGEDHN CC1(C(=O)NCC2(NCC#Cc3ccccc3)CCCC2)CCC1 ZINC001268038916 1083937470 /nfs/dbraw/zinc/93/74/70/1083937470.db2.gz USUAQDNQGXCEDG-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211682009 1083941795 /nfs/dbraw/zinc/94/17/95/1083941795.db2.gz DYYNDACHAGSWGE-RBUKOAKNSA-N 0 3 324.468 3.196 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC001268058592 1084063315 /nfs/dbraw/zinc/06/33/15/1084063315.db2.gz AENJQJVWCLYHIT-LSDHHAIUSA-N 0 3 320.864 3.497 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1cc2ccccc2o1 ZINC001268059505 1084068126 /nfs/dbraw/zinc/06/81/26/1084068126.db2.gz NVSTVSRIUXPDSL-OAHLLOKOSA-N 0 3 312.413 3.173 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001481537267 1084107852 /nfs/dbraw/zinc/10/78/52/1084107852.db2.gz VXWGFWOQMRVYPB-YJBOKZPZSA-N 0 3 320.502 3.474 20 30 DGEDHN CC(C)(C)c1ccc(CCNCC2(C#N)CCOCC2)cc1 ZINC001184278797 1084149075 /nfs/dbraw/zinc/14/90/75/1084149075.db2.gz UKWXQIIWFALJMZ-UHFFFAOYSA-N 0 3 300.446 3.437 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001268112027 1084187162 /nfs/dbraw/zinc/18/71/62/1084187162.db2.gz IWKZGYYYECZPBW-OAHLLOKOSA-N 0 3 322.449 3.453 20 30 DGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(Cc1ccncc1)C2 ZINC001273487119 1084199494 /nfs/dbraw/zinc/19/94/94/1084199494.db2.gz DGWXCCBWFHJNOX-IBGZPJMESA-N 0 3 313.445 3.005 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001268169357 1084277703 /nfs/dbraw/zinc/27/77/03/1084277703.db2.gz IBOIGMVWVIQVCI-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN CC#CCCCC(=O)N1CCC(CCN(C)C/C=C/Cl)CC1 ZINC001268200205 1084311586 /nfs/dbraw/zinc/31/15/86/1084311586.db2.gz RDPHEJIGGVGMGE-KPKJPENVSA-N 0 3 324.896 3.493 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001185051045 1084321710 /nfs/dbraw/zinc/32/17/10/1084321710.db2.gz VSLMABCPUSMADI-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)s1)C(C)C ZINC001268204790 1084322057 /nfs/dbraw/zinc/32/20/57/1084322057.db2.gz ILUQMJQHPYBNMW-LBPRGKRZSA-N 0 3 300.855 3.153 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001481639716 1084328520 /nfs/dbraw/zinc/32/85/20/1084328520.db2.gz FUXHQIJUTXTTPT-BEFAXECRSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1ccc(F)cn1)C(C)C ZINC001268215974 1084340945 /nfs/dbraw/zinc/34/09/45/1084340945.db2.gz DXTJHDCCZMHJAZ-AEFFLSMTSA-N 0 3 321.440 3.053 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)[C@H](C)c1ccccc1 ZINC001268234715 1084377956 /nfs/dbraw/zinc/37/79/56/1084377956.db2.gz LQUWYWYHPKTZHJ-QGZVFWFLSA-N 0 3 300.446 3.331 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001268237969 1084383977 /nfs/dbraw/zinc/38/39/77/1084383977.db2.gz YOXWUJLZXGXPRU-MSOLQXFVSA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001268246726 1084401573 /nfs/dbraw/zinc/40/15/73/1084401573.db2.gz BYJIYEAUHQDZBP-CQSZACIVSA-N 0 3 308.853 3.410 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCCc1ccc(F)cc1 ZINC001268249603 1084407348 /nfs/dbraw/zinc/40/73/48/1084407348.db2.gz AOOPOXGPXXJLHE-UHFFFAOYSA-N 0 3 306.425 3.115 20 30 DGEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CC(C)(C)OC)C2 ZINC001273501813 1084417577 /nfs/dbraw/zinc/41/75/77/1084417577.db2.gz XBPRIGOZJFOSST-IBGZPJMESA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCC1(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)CC1 ZINC001185438475 1084440335 /nfs/dbraw/zinc/44/03/35/1084440335.db2.gz BKGQSUCGSTVYRA-QGZVFWFLSA-N 0 3 316.420 3.263 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001481688904 1084479610 /nfs/dbraw/zinc/47/96/10/1084479610.db2.gz YPQUKCHZYFRJRX-JXFKEZNVSA-N 0 3 324.468 3.086 20 30 DGEDHN Cc1cc(CN2CC[C@H](N(C)C(=O)C#CC(C)C)C2)c(C)s1 ZINC001481725517 1084536030 /nfs/dbraw/zinc/53/60/30/1084536030.db2.gz AWJOYKNBDWLJEX-KRWDZBQOSA-N 0 3 318.486 3.057 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nccc2ccsc21 ZINC001268373046 1084536801 /nfs/dbraw/zinc/53/68/01/1084536801.db2.gz KHNLHYHLPJICHV-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=CC1(CC(=O)N(C)[C@H]2CCN(CCOCC)C2)CCCCC1 ZINC001481745456 1084566582 /nfs/dbraw/zinc/56/65/82/1084566582.db2.gz 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CC(C(=O)N[C@H](C)CNCc1ccc(C#N)s1)=C1CCCC1 ZINC001268641287 1084909183 /nfs/dbraw/zinc/90/91/83/1084909183.db2.gz FUZWSNQIVBXDSG-GFCCVEGCSA-N 0 3 317.458 3.105 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN[C@@H](C)c2ccccc2F)C1 ZINC001268661552 1084925010 /nfs/dbraw/zinc/92/50/10/1084925010.db2.gz ZGEZNIPCOBMERP-KGLIPLIRSA-N 0 3 304.409 3.337 20 30 DGEDHN CCCC[C@](C)(F)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268693485 1084949171 /nfs/dbraw/zinc/94/91/71/1084949171.db2.gz DMRBJOMPMCRIHU-LPHOPBHVSA-N 0 3 318.436 3.051 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268749828 1085026039 /nfs/dbraw/zinc/02/60/39/1085026039.db2.gz ANVAAHJHZPNCBZ-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CC[C@H](C)C(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001268967903 1085091130 /nfs/dbraw/zinc/09/11/30/1085091130.db2.gz GJWGWEMROGHGHG-LPHOPBHVSA-N 0 3 315.461 3.041 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CF)cc1 ZINC001268988576 1085095503 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C#CCCN1CC[C@@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001269356164 1085332109 /nfs/dbraw/zinc/33/21/09/1085332109.db2.gz NPIDQXGBUWOFQT-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1cc(C)ns1 ZINC001269467315 1085402483 /nfs/dbraw/zinc/40/24/83/1085402483.db2.gz UNZYWNZJTCHZEM-CJNGLKHVSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1ccc(Cl)nc1 ZINC001269476945 1085409888 /nfs/dbraw/zinc/40/98/88/1085409888.db2.gz IMHRNPBSRHNPHY-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2ccns2)CCCC1 ZINC001269517092 1085440971 /nfs/dbraw/zinc/44/09/71/1085440971.db2.gz UFPYLKWFZRKMRN-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001269572115 1085474854 /nfs/dbraw/zinc/47/48/54/1085474854.db2.gz HLANGUOBFVXGNA-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2 ZINC001482245512 1085580438 /nfs/dbraw/zinc/58/04/38/1085580438.db2.gz 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C=CCN[C@@H]1CN(C(=O)C2(CCCC)CC2)C[C@H]1C(F)(F)F ZINC001112159909 1086161609 /nfs/dbraw/zinc/16/16/09/1086161609.db2.gz HADRLZXHSYERQJ-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001482442656 1086184835 /nfs/dbraw/zinc/18/48/35/1086184835.db2.gz TXQREKBETJWORV-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1cc(Cl)ccc1OC ZINC001270914895 1086188898 /nfs/dbraw/zinc/18/88/98/1086188898.db2.gz RLZZSFHTXFWTGD-ZDUSSCGKSA-N 0 3 324.852 3.251 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001271006999 1086245550 /nfs/dbraw/zinc/24/55/50/1086245550.db2.gz GPUYDQHVARZEIF-PKOBYXMFSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001271008347 1086247070 /nfs/dbraw/zinc/24/70/70/1086247070.db2.gz VUNKIEQGYDDOBK-HXUWFJFHSA-N 0 3 312.457 3.159 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C=C2CCC2)CCN1Cc1ccc(C#N)cc1 ZINC001087538347 1086248626 /nfs/dbraw/zinc/24/86/26/1086248626.db2.gz 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DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(CC)CCCCC3)C[C@@H]2C1 ZINC001088209716 1086654685 /nfs/dbraw/zinc/65/46/85/1086654685.db2.gz JEZAZWKVTHBYQB-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc[nH]c2C)C1 ZINC001088290126 1086767902 /nfs/dbraw/zinc/76/79/02/1086767902.db2.gz BLTSVHDMXXOEMC-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2ccccc2)C1 ZINC001088337800 1086822226 /nfs/dbraw/zinc/82/22/26/1086822226.db2.gz OEMGZMIUSISBJA-QGZVFWFLSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccoc1C1CC1)C(C)C ZINC001482549731 1086849769 /nfs/dbraw/zinc/84/97/69/1086849769.db2.gz HAPOERDXSBRNQI-AWEZNQCLSA-N 0 3 310.825 3.254 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCc2ccns2)C1 ZINC001088359911 1086859825 /nfs/dbraw/zinc/85/98/25/1086859825.db2.gz LAAMCQITQFMQJE-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC001272014727 1086972571 /nfs/dbraw/zinc/97/25/71/1086972571.db2.gz DPEQOZGGGOULKS-IAGOWNOFSA-N 0 3 316.470 3.117 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCC(C)C ZINC001272046825 1087028352 /nfs/dbraw/zinc/02/83/52/1087028352.db2.gz ZKAVERWWQUQYFT-ROUUACIJSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2CCC=CCC2)CC1 ZINC001168185766 1087031943 /nfs/dbraw/zinc/03/19/43/1087031943.db2.gz MCCOVBRTAUPBEA-UHFFFAOYSA-N 0 3 310.869 3.361 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCc1ccccc1Cl ZINC001482618909 1087086612 /nfs/dbraw/zinc/08/66/12/1087086612.db2.gz LAGDIBOMRJMGBI-UHFFFAOYSA-N 0 3 322.880 3.485 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001482641699 1087098949 /nfs/dbraw/zinc/09/89/49/1087098949.db2.gz WKSVDVCXXSMJGU-HNNXBMFYSA-N 0 3 304.434 3.054 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1csc2c1CC[C@@H](C)C2 ZINC001482647933 1087101241 /nfs/dbraw/zinc/10/12/41/1087101241.db2.gz VUVMJHODWNISDB-CYBMUJFWSA-N 0 3 306.475 3.063 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H]1C ZINC001088610602 1087156175 /nfs/dbraw/zinc/15/61/75/1087156175.db2.gz BFXLIGNFCDHQJO-QAPCUYQASA-N 0 3 311.429 3.016 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2c1CCCC2 ZINC001482833871 1087167483 /nfs/dbraw/zinc/16/74/83/1087167483.db2.gz JVFZYFHXKSGDCU-CQSZACIVSA-N 0 3 320.864 3.416 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001482865696 1087175556 /nfs/dbraw/zinc/17/55/56/1087175556.db2.gz QTHNFGYMUIXKEG-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001482873882 1087177908 /nfs/dbraw/zinc/17/79/08/1087177908.db2.gz NLNAJHFATRYWCX-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN CCC(=CC(=O)NC/C=C/CNCc1ccc(C#N)cc1)CC ZINC001482996913 1087227521 /nfs/dbraw/zinc/22/75/21/1087227521.db2.gz GSDKBQLAXPFKGG-AATRIKPKSA-N 0 3 311.429 3.067 20 30 DGEDHN C=C[C@H](C(=O)N(C)CCN(C)CC=C(C)C)c1ccccc1 ZINC001272178085 1087231298 /nfs/dbraw/zinc/23/12/98/1087231298.db2.gz AXHPNORXYPSITE-SFHVURJKSA-N 0 3 300.446 3.313 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)cc2Cl)[C@H]1C ZINC001088673825 1087250963 /nfs/dbraw/zinc/25/09/63/1087250963.db2.gz VFEPAZOPZBMGDU-PBHICJAKSA-N 0 3 320.864 3.346 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)cc3ccoc32)[C@H]1C ZINC001088683306 1087253011 /nfs/dbraw/zinc/25/30/11/1087253011.db2.gz PKYRCTQMKAWZEK-WBMJQRKESA-N 0 3 316.376 3.341 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1C ZINC001088787231 1087354432 /nfs/dbraw/zinc/35/44/32/1087354432.db2.gz XDPTXAHNXZTOQR-ZBFHGGJFSA-N 0 3 311.429 3.245 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C1CCC(CCCC)CC1 ZINC001496831991 1087379337 /nfs/dbraw/zinc/37/93/37/1087379337.db2.gz UZSUUAIKFCZXFM-UHFFFAOYSA-N 0 3 306.494 3.397 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)[C@H]1C ZINC001088834253 1087412711 /nfs/dbraw/zinc/41/27/11/1087412711.db2.gz IWNWFNSLMRTTSK-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN CC[C@@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001483222543 1087428623 /nfs/dbraw/zinc/42/86/23/1087428623.db2.gz AGFQFZMNZISTCX-CABCVRRESA-N 0 3 320.864 3.222 20 30 DGEDHN C#CCCCC(=O)N(C)CCN[C@H](C)c1ccccc1Cl ZINC001493534154 1087455291 /nfs/dbraw/zinc/45/52/91/1087455291.db2.gz NCCKYKNSSNHCNP-CQSZACIVSA-N 0 3 306.837 3.253 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@@H](C)c1cccc(OC)c1 ZINC001483320907 1087468659 /nfs/dbraw/zinc/46/86/59/1087468659.db2.gz RZQSOOYSOBTQLX-CABCVRRESA-N 0 3 304.434 3.159 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483334339 1087473768 /nfs/dbraw/zinc/47/37/68/1087473768.db2.gz FJSWKEPPSKUWJY-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1C ZINC001088885737 1087597716 /nfs/dbraw/zinc/59/77/16/1087597716.db2.gz MNDFQIAOYMGQAR-NUJGCVRESA-N 0 3 300.446 3.254 20 30 DGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2scnc2C2CC2)[C@H]1C ZINC001088908002 1087602015 /nfs/dbraw/zinc/60/20/15/1087602015.db2.gz ZNGDWHJWYLLLGB-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3cccnc3s2)[C@H]1C ZINC001088956399 1087609779 /nfs/dbraw/zinc/60/97/79/1087609779.db2.gz PEYQYFRHHZPIEG-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H]1C ZINC001088960898 1087610514 /nfs/dbraw/zinc/61/05/14/1087610514.db2.gz GWJHEWHHXDBCQT-KDOFPFPSSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)[C@H]1C ZINC001089000741 1087618129 /nfs/dbraw/zinc/61/81/29/1087618129.db2.gz UZCIFRAYAIRSKI-MOAASNJQSA-N 0 3 316.489 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1C ZINC001089024618 1087623178 /nfs/dbraw/zinc/62/31/78/1087623178.db2.gz OCWWNUPXGWIIAO-SJORKVTESA-N 0 3 300.446 3.381 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483674527 1087626518 /nfs/dbraw/zinc/62/65/18/1087626518.db2.gz ZVMFFBPABOGRBB-ZWKOTPCHSA-N 0 3 312.457 3.440 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)[C@H]1C ZINC001089050588 1087627888 /nfs/dbraw/zinc/62/78/88/1087627888.db2.gz KFXIJHMHDDFFIV-XNJGSVPQSA-N 0 3 322.399 3.223 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001483675104 1087629866 /nfs/dbraw/zinc/62/98/66/1087629866.db2.gz XLNILVLVAXCHJR-UONOGXRCSA-N 0 3 314.420 3.357 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)[C@H]1C ZINC001089068858 1087630510 /nfs/dbraw/zinc/63/05/10/1087630510.db2.gz YQTHZVJSJCZWIW-VMGRFDJRSA-N 0 3 318.848 3.135 20 30 DGEDHN N#CCCCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001168429595 1087649701 /nfs/dbraw/zinc/64/97/01/1087649701.db2.gz VYFZZPFIWMUHGQ-UHFFFAOYSA-N 0 3 310.401 3.177 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001483704182 1087679665 /nfs/dbraw/zinc/67/96/65/1087679665.db2.gz GZHIJAZNAZWHPP-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001483708201 1087683387 /nfs/dbraw/zinc/68/33/87/1087683387.db2.gz UYVFKGDSMRUVHA-AWEZNQCLSA-N 0 3 315.392 3.077 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001483708436 1087683808 /nfs/dbraw/zinc/68/38/08/1087683808.db2.gz XCDZRYJGWUAFAH-JWXAEQQXSA-N 0 3 318.505 3.439 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(C)cc3F)CC2)C1=O ZINC001272395872 1087689566 /nfs/dbraw/zinc/68/95/66/1087689566.db2.gz ZPKQJDOAQHBBBA-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C=C)CC ZINC001158376842 1087798210 /nfs/dbraw/zinc/79/82/10/1087798210.db2.gz CPVHSSLOVLCSIZ-ZWKOTPCHSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1nccc2ccccc21 ZINC001158405238 1087813149 /nfs/dbraw/zinc/81/31/49/1087813149.db2.gz ORBMWNINBATTRF-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2cc[nH]c21 ZINC001158506928 1087880975 /nfs/dbraw/zinc/88/09/75/1087880975.db2.gz BJNOIXVRHTWHRF-MRXNPFEDSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)C/C=C\c1ccccc1 ZINC001152346341 1087955990 /nfs/dbraw/zinc/95/59/90/1087955990.db2.gz SGXKTMNPBATXNN-OJNOIJSXSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC ZINC001099208292 1087994866 /nfs/dbraw/zinc/99/48/66/1087994866.db2.gz QCVCHQOTYAOHOB-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2ccccc2n1 ZINC001158787299 1088028674 /nfs/dbraw/zinc/02/86/74/1088028674.db2.gz PVWMTXQIEAMLIA-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN Cc1nc(NC23CCC(C#N)(CC2)CC3)cc(N2CCCC2)n1 ZINC001158785729 1088030240 /nfs/dbraw/zinc/03/02/40/1088030240.db2.gz MKMKNJOMTSTAEQ-UHFFFAOYSA-N 0 3 311.433 3.414 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001158794477 1088032221 /nfs/dbraw/zinc/03/22/21/1088032221.db2.gz PUTKNERGIQFEOP-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(C)c(C)c1 ZINC001158841753 1088066693 /nfs/dbraw/zinc/06/66/93/1088066693.db2.gz PUUZGEUKHGWKDF-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccccc1 ZINC001158901556 1088090014 /nfs/dbraw/zinc/09/00/14/1088090014.db2.gz XFZZCZLZVQIBJR-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001099224421 1088093753 /nfs/dbraw/zinc/09/37/53/1088093753.db2.gz AFTWMDVEMAZUEP-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](F)Cc1ccccc1 ZINC001158914058 1088097501 /nfs/dbraw/zinc/09/75/01/1088097501.db2.gz KMBFZZPHJGVEPP-QZTJIDSGSA-N 0 3 318.436 3.066 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001153007742 1088136446 /nfs/dbraw/zinc/13/64/46/1088136446.db2.gz VXXLUIYEWYJNHA-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001159014567 1088140432 /nfs/dbraw/zinc/14/04/32/1088140432.db2.gz CMHXSRRYHNQRHV-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C=C2CCCCC2)CC(C)(C)C1 ZINC001089334029 1088159750 /nfs/dbraw/zinc/15/97/50/1088159750.db2.gz PRKBKKKZZMCQDT-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001153181187 1088178207 /nfs/dbraw/zinc/17/82/07/1088178207.db2.gz QMYBEMAAVBCMOC-AAGJOFLKSA-N 0 3 313.445 3.241 20 30 DGEDHN CCN(C/C=C\c1ccccc1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207250 1088186429 /nfs/dbraw/zinc/18/64/29/1088186429.db2.gz CRTJHVGHYHNRCQ-ZVBPTUHVSA-N 0 3 312.457 3.186 20 30 DGEDHN CCN(Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207624 1088187413 /nfs/dbraw/zinc/18/74/13/1088187413.db2.gz MNLSYIIGHZNDQD-OAHLLOKOSA-N 0 3 320.864 3.326 20 30 DGEDHN CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266005 1088205603 /nfs/dbraw/zinc/20/56/03/1088205603.db2.gz GGUMBKGNSFKBBN-OAHLLOKOSA-N 0 3 318.436 3.202 20 30 DGEDHN CCN(Cc1cc(C)sc1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281495 1088208923 /nfs/dbraw/zinc/20/89/23/1088208923.db2.gz QHWUWNWJPDNBDR-CYBMUJFWSA-N 0 3 318.486 3.105 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(CCC)s1 ZINC001153617930 1088306370 /nfs/dbraw/zinc/30/63/70/1088306370.db2.gz CSNQYDGDWYROSO-CQSZACIVSA-N 0 3 306.475 3.164 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001153642309 1088316959 /nfs/dbraw/zinc/31/69/59/1088316959.db2.gz WSYOZFVLMMPXOX-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)ccc1C)CC2 ZINC001272615763 1088319210 /nfs/dbraw/zinc/31/92/10/1088319210.db2.gz BCPVXOMLDGADTC-QGZVFWFLSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cccc(F)c2)CCCC1 ZINC001153809441 1088366994 /nfs/dbraw/zinc/36/69/94/1088366994.db2.gz MZVIAZHTJHXSQO-UHFFFAOYSA-N 0 3 304.409 3.168 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCNC/C=C\Cl)c1ccccc1 ZINC001153825243 1088372462 /nfs/dbraw/zinc/37/24/62/1088372462.db2.gz ZUPZMPYLTBVLJH-MRDWYFFCSA-N 0 3 306.837 3.195 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(C)=C2CCCC2)CC(C)(C)C1 ZINC001089355929 1088445645 /nfs/dbraw/zinc/44/56/45/1088445645.db2.gz RTQMWAQXPQZZIL-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@H](C)c2cccc(OC)c2)CC1 ZINC001483758912 1088535345 /nfs/dbraw/zinc/53/53/45/1088535345.db2.gz QHBVDWBFOQWVHG-CQSZACIVSA-N 0 3 316.445 3.207 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(F)cc1C)CC2 ZINC001272667241 1088607111 /nfs/dbraw/zinc/60/71/11/1088607111.db2.gz NISOIQHSBCJCCL-QGZVFWFLSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc3ncccc3c2)CC1 ZINC001483764209 1088648440 /nfs/dbraw/zinc/64/84/40/1088648440.db2.gz DDUTWCJZSHOAJR-UHFFFAOYSA-N 0 3 323.440 3.330 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2occc2C(C)C)CC(C)(C)C1 ZINC001089472719 1088663589 /nfs/dbraw/zinc/66/35/89/1088663589.db2.gz NVXSTQWVSLWPQY-HNNXBMFYSA-N 0 3 316.445 3.257 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)CC(C)(C)C1 ZINC001089539289 1088725735 /nfs/dbraw/zinc/72/57/35/1088725735.db2.gz KJTBUIGBUYBLPS-SJLPKXTDSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2C)CC(C)(C)C1 ZINC001089553610 1088739834 /nfs/dbraw/zinc/73/98/34/1088739834.db2.gz XDMBNQOLMKBJEP-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)CC(C)(C)C1 ZINC001089565890 1088752035 /nfs/dbraw/zinc/75/20/35/1088752035.db2.gz DPYVKJFYBQHDAD-OAHLLOKOSA-N 0 3 316.445 3.257 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)CC(C)(C)C1 ZINC001089564936 1088752428 /nfs/dbraw/zinc/75/24/28/1088752428.db2.gz KXPCDUULDNAHHF-ZGUYJTEBSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)CC(C)(C)C1 ZINC001089564928 1088752602 /nfs/dbraw/zinc/75/26/02/1088752602.db2.gz KXPCDUULDNAHHF-FOIPXRHGSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1C ZINC001089600058 1088792724 /nfs/dbraw/zinc/79/27/24/1088792724.db2.gz IYPWWXIPOBUYLV-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001089603960 1088806255 /nfs/dbraw/zinc/80/62/55/1088806255.db2.gz ANHNVIOOHMCKPX-CQSZACIVSA-N 0 3 323.868 3.465 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610264 1088817596 /nfs/dbraw/zinc/81/75/96/1088817596.db2.gz QWOVWCAHTPJATE-QGZVFWFLSA-N 0 3 315.461 3.187 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1C ZINC001089622008 1088832613 /nfs/dbraw/zinc/83/26/13/1088832613.db2.gz CLSKELXRKCYTMY-INIZCTEOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001089623013 1088836749 /nfs/dbraw/zinc/83/67/49/1088836749.db2.gz MLMBXLYRNCHXSK-AWEZNQCLSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001089645808 1088878488 /nfs/dbraw/zinc/87/84/88/1088878488.db2.gz AJBVUZDWWFUSPF-GOSISDBHSA-N 0 3 314.473 3.468 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N(C)CCC(=O)c1ccccc1 ZINC001160591195 1088887501 /nfs/dbraw/zinc/88/75/01/1088887501.db2.gz UTSDQZJWLGIYLB-KRWDZBQOSA-N 0 3 316.445 3.182 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2(CC(C)C)CCC2)CC1 ZINC001160641162 1088901115 /nfs/dbraw/zinc/90/11/15/1088901115.db2.gz JQCWUUFOACGUBK-UHFFFAOYSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001483832948 1088937038 /nfs/dbraw/zinc/93/70/38/1088937038.db2.gz QUOQQGSXKDEXBM-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001160744007 1088940030 /nfs/dbraw/zinc/94/00/30/1088940030.db2.gz BOGORZQKZMFNIX-NNZMDNLPSA-N 0 3 302.462 3.137 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@]3(CCN(C[C@H](F)CC)C3)C2)CCC1 ZINC001483849656 1088951085 /nfs/dbraw/zinc/95/10/85/1088951085.db2.gz ZPGTVZDRGZZICL-SJLPKXTDSA-N 0 3 322.468 3.405 20 30 DGEDHN CCCCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001483920392 1089002685 /nfs/dbraw/zinc/00/26/85/1089002685.db2.gz QWWBPPVBRIWAKC-CQSZACIVSA-N 0 3 319.474 3.281 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1nc2c(cc1C#N)CCCC2 ZINC001155256869 1089028229 /nfs/dbraw/zinc/02/82/29/1089028229.db2.gz AIGMTOXCICNOSD-GFCCVEGCSA-N 0 3 317.396 3.191 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ncc(CC#N)cc1Cl ZINC001155257318 1089032109 /nfs/dbraw/zinc/03/21/09/1089032109.db2.gz FTAXWDGELSWUBC-JTQLQIEISA-N 0 3 311.776 3.160 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1cc(C)ccc1F ZINC001483928701 1089033571 /nfs/dbraw/zinc/03/35/71/1089033571.db2.gz MGJMVEZVHLZPTB-QGZVFWFLSA-N 0 3 316.420 3.018 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nnc(Cl)c2c1CCCC2 ZINC001160953087 1089039574 /nfs/dbraw/zinc/03/95/74/1089039574.db2.gz QEEVGMYNVZBRGQ-LBPRGKRZSA-N 0 3 306.841 3.071 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2ccc(OC)cc2)nn1 ZINC001160957265 1089041033 /nfs/dbraw/zinc/04/10/33/1089041033.db2.gz JGIRPNDJFPEPDY-INIZCTEOSA-N 0 3 324.428 3.215 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cc(-c2ccccc2OC)ncn1 ZINC001160957822 1089041071 /nfs/dbraw/zinc/04/10/71/1089041071.db2.gz VQVKQGOIMMORGL-HNNXBMFYSA-N 0 3 324.428 3.215 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nccc(OCc2ccccc2)n1 ZINC001160954576 1089042182 /nfs/dbraw/zinc/04/21/82/1089042182.db2.gz YXJUQLZCCVUNNK-KRWDZBQOSA-N 0 3 324.428 3.118 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2coc3ccccc23)CC1 ZINC001483971349 1089050826 /nfs/dbraw/zinc/05/08/26/1089050826.db2.gz GQBAUXYKNGYPLT-UHFFFAOYSA-N 0 3 312.413 3.132 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001483977248 1089063514 /nfs/dbraw/zinc/06/35/14/1089063514.db2.gz WKBBIDMISGRMIH-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001155394931 1089091148 /nfs/dbraw/zinc/09/11/48/1089091148.db2.gz ZXOZWEHMNYIWCY-MRXNPFEDSA-N 0 3 324.424 3.410 20 30 DGEDHN C#CCCCCC(=O)N[C@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001484040412 1089129543 /nfs/dbraw/zinc/12/95/43/1089129543.db2.gz IBAIAZTXQFNTIN-QYFOZDBKSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001484042322 1089131532 /nfs/dbraw/zinc/13/15/32/1089131532.db2.gz PUYGYXXKIIOJLI-HXUWFJFHSA-N 0 3 324.424 3.317 20 30 DGEDHN Cc1nc(NC2CCN(Cc3ccc(O)cc3)CC2)ccc1C#N ZINC001161136628 1089131830 /nfs/dbraw/zinc/13/18/30/1089131830.db2.gz IBDUWCJMWSONFQ-UHFFFAOYSA-N 0 3 322.412 3.044 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001484050615 1089134334 /nfs/dbraw/zinc/13/43/34/1089134334.db2.gz ICLMNOZWLXCNNJ-FQEVSTJZSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001089685565 1089161868 /nfs/dbraw/zinc/16/18/68/1089161868.db2.gz DPXITWAWRWETGF-HNNXBMFYSA-N 0 3 317.477 3.374 20 30 DGEDHN N#Cc1cc(F)c(Cl)nc1N[C@H]1CNCc2ccsc21 ZINC001155560174 1089164505 /nfs/dbraw/zinc/16/45/05/1089164505.db2.gz YJKDWCYPAKDIPR-JTQLQIEISA-N 0 3 308.769 3.064 20 30 DGEDHN C=CCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1)C1CCCCC1 ZINC001161247648 1089169277 /nfs/dbraw/zinc/16/92/77/1089169277.db2.gz FXPLEVYDLBBIBP-OCCSQVGLSA-N 0 3 318.383 3.264 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC)CC1CCCC1 ZINC001155602578 1089181362 /nfs/dbraw/zinc/18/13/62/1089181362.db2.gz ZUENQVFKWWGSGL-AEFFLSMTSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(Cc2ccccn2)CC1 ZINC001484140364 1089226450 /nfs/dbraw/zinc/22/64/50/1089226450.db2.gz WBEWMONOZQQGNU-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2csc(C)c2C)C1 ZINC001484160652 1089248694 /nfs/dbraw/zinc/24/86/94/1089248694.db2.gz ILXYCOKMZMIACF-QGZVFWFLSA-N 0 3 306.475 3.383 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC001484173688 1089254879 /nfs/dbraw/zinc/25/48/79/1089254879.db2.gz LSSXHARYIJFLLU-SFHVURJKSA-N 0 3 318.848 3.195 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2cc(C)ccc2F)C1 ZINC001484172852 1089255229 /nfs/dbraw/zinc/25/52/29/1089255229.db2.gz HWYAWMOBCKKTDX-LJQANCHMSA-N 0 3 318.436 3.081 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccc(C)s2)C1 ZINC001484175320 1089271777 /nfs/dbraw/zinc/27/17/77/1089271777.db2.gz OXXXPSWCNSNYMB-SFHVURJKSA-N 0 3 320.502 3.393 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001155851359 1089272025 /nfs/dbraw/zinc/27/20/25/1089272025.db2.gz YWEKPWITHONYBE-IAGOWNOFSA-N 0 3 314.473 3.202 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001089726567 1089305121 /nfs/dbraw/zinc/30/51/21/1089305121.db2.gz OCBMDZKMWUPMMZ-QGZVFWFLSA-N 0 3 300.446 3.401 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1CC ZINC001484322772 1089332558 /nfs/dbraw/zinc/33/25/58/1089332558.db2.gz HUTYNLJKIISGKA-APWZRJJASA-N 0 3 314.473 3.311 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)C(C)(F)F)c1ccccc1CC ZINC001484322428 1089332796 /nfs/dbraw/zinc/33/27/96/1089332796.db2.gz DMBDGGHBRGOSEF-CZUORRHYSA-N 0 3 324.415 3.473 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccccc1O)c1ccccc1CC ZINC001484323664 1089334551 /nfs/dbraw/zinc/33/45/51/1089334551.db2.gz ICAOBYLYWCSKAA-GOSISDBHSA-N 0 3 324.424 3.201 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(C)CC=C)C2)CC1 ZINC001484324689 1089336261 /nfs/dbraw/zinc/33/62/61/1089336261.db2.gz QQWWDDFNLWFRIU-GOSISDBHSA-N 0 3 316.489 3.173 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)/C=C(/C)CC)c1ccccc1CC ZINC001484324791 1089336723 /nfs/dbraw/zinc/33/67/23/1089336723.db2.gz MVPMDEJRBCEBKD-VDUFWMCCSA-N 0 3 312.457 3.376 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1CC ZINC001484326295 1089343249 /nfs/dbraw/zinc/34/32/49/1089343249.db2.gz WBXZYMXYILEBCI-ZWKOTPCHSA-N 0 3 312.457 3.065 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccoc2CCC)CC1 ZINC001161698718 1089355976 /nfs/dbraw/zinc/35/59/76/1089355976.db2.gz AZXXYTSMRFULFA-UHFFFAOYSA-N 0 3 302.418 3.170 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(CC)cc2)CC1 ZINC001161808283 1089414549 /nfs/dbraw/zinc/41/45/49/1089414549.db2.gz BMBFRWQDRNCRNK-UHFFFAOYSA-N 0 3 310.441 3.024 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3ccccc3o2)CC1 ZINC001161818357 1089421295 /nfs/dbraw/zinc/42/12/95/1089421295.db2.gz UENFJVQSJYSAEZ-UHFFFAOYSA-N 0 3 310.397 3.371 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(Cl)s2)CC1 ZINC001161817951 1089421829 /nfs/dbraw/zinc/42/18/29/1089421829.db2.gz JSPMXELTLPDXHW-UHFFFAOYSA-N 0 3 310.850 3.340 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2ccsc21 ZINC001156182874 1089423773 /nfs/dbraw/zinc/42/37/73/1089423773.db2.gz HXENTWFGWLBDDB-CQSZACIVSA-N 0 3 314.454 3.365 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001161844695 1089437389 /nfs/dbraw/zinc/43/73/89/1089437389.db2.gz OTKZPSLTRMROGU-UHFFFAOYSA-N 0 3 310.441 3.113 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(-c2ccoc2)c1 ZINC001156254891 1089450592 /nfs/dbraw/zinc/45/05/92/1089450592.db2.gz YWOSEYDBWJSBSH-OAHLLOKOSA-N 0 3 310.397 3.020 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(Cl)cn2CC)CC1 ZINC001161879487 1089450949 /nfs/dbraw/zinc/45/09/49/1089450949.db2.gz NPWIZCDEGXOBLE-UHFFFAOYSA-N 0 3 321.852 3.099 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001484513931 1089454625 /nfs/dbraw/zinc/45/46/25/1089454625.db2.gz FBJCLJWDRQVTDO-CAOSSQGBSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CCC2)C1 ZINC001089793264 1089472996 /nfs/dbraw/zinc/47/29/96/1089472996.db2.gz UMAOQGSYZSBSSF-QAETUUGQSA-N 0 3 322.880 3.098 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001156366391 1089491500 /nfs/dbraw/zinc/49/15/00/1089491500.db2.gz IOVILTANGSSFRP-CQSZACIVSA-N 0 3 320.864 3.366 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C(CCC)CCC)C2)CC1 ZINC001484580878 1089516491 /nfs/dbraw/zinc/51/64/91/1089516491.db2.gz WPQAMOPRFPTAHE-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN CCC(=CC(=O)NCCCNCc1ccc(C#N)cc1F)CC ZINC001156477475 1089541986 /nfs/dbraw/zinc/54/19/86/1089541986.db2.gz VEPHXZOJLYGGMM-UHFFFAOYSA-N 0 3 317.408 3.040 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc4[nH]ccc43)CC2)C1=O ZINC001272686492 1089544699 /nfs/dbraw/zinc/54/46/99/1089544699.db2.gz FQUWSTNNPHKFEG-UHFFFAOYSA-N 0 3 323.440 3.168 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001156510959 1089557273 /nfs/dbraw/zinc/55/72/73/1089557273.db2.gz VZDGTKZBYOPWMW-CYBMUJFWSA-N 0 3 308.372 3.088 20 30 DGEDHN CC#CCNC1(CNC(=O)c2coc3c2cccc3C)CCC1 ZINC001484637787 1089563616 /nfs/dbraw/zinc/56/36/16/1089563616.db2.gz RKFMSRVUVUWMID-UHFFFAOYSA-N 0 3 310.397 3.007 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@H](OC)C1 ZINC001212335366 1089564823 /nfs/dbraw/zinc/56/48/23/1089564823.db2.gz YPOGZSDYXMDXDK-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001484720726 1089630454 /nfs/dbraw/zinc/63/04/54/1089630454.db2.gz TYMVTMSRGVAYBS-IRXDYDNUSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(-n2cccc2)cc1 ZINC001156668746 1089633702 /nfs/dbraw/zinc/63/37/02/1089633702.db2.gz XMCMUOSIDVUBNW-UHFFFAOYSA-N 0 3 311.429 3.057 20 30 DGEDHN C=CCn1cc2ccc(NC(=O)[C@H](CC)N(CC)CC)cc2n1 ZINC001156690181 1089649038 /nfs/dbraw/zinc/64/90/38/1089649038.db2.gz FPZCKYMBOXPVBM-KRWDZBQOSA-N 0 3 314.433 3.281 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2ccccc21 ZINC001156699878 1089653239 /nfs/dbraw/zinc/65/32/39/1089653239.db2.gz FUQQBHLYHVLHQM-MRXNPFEDSA-N 0 3 308.425 3.303 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCC(C)(F)F)cc1 ZINC001272692076 1089732403 /nfs/dbraw/zinc/73/24/03/1089732403.db2.gz PZDDCJXJWVUQML-CQSZACIVSA-N 0 3 322.399 3.412 20 30 DGEDHN CC[C@H]1CCCCN1CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC001162475931 1089752996 /nfs/dbraw/zinc/75/29/96/1089752996.db2.gz IMHXDRMOXJTOJK-NSHDSACASA-N 0 3 308.407 3.204 20 30 DGEDHN CCCCC[C@H](CC)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001157041195 1089797477 /nfs/dbraw/zinc/79/74/77/1089797477.db2.gz IBDUSEDCXQQAEP-MSOLQXFVSA-N 0 3 324.509 3.069 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001484977546 1089812322 /nfs/dbraw/zinc/81/23/22/1089812322.db2.gz GZFXZKCGYDCHKK-QWHCGFSZSA-N 0 3 306.372 3.264 20 30 DGEDHN C=CCCC(=O)N1CCC2(CC1)CN(CC/C=C/CC)CCO2 ZINC001485008198 1089847060 /nfs/dbraw/zinc/84/70/60/1089847060.db2.gz ILLHUYQLBQRLTJ-FNORWQNLSA-N 0 3 320.477 3.002 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C(C)C ZINC001485044710 1089864156 /nfs/dbraw/zinc/86/41/56/1089864156.db2.gz YGXSCXOETWFTRU-ZTFGCOKTSA-N 0 3 300.446 3.226 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC001485033359 1089868162 /nfs/dbraw/zinc/86/81/62/1089868162.db2.gz DZDWYTVAQWUIST-UHFFFAOYSA-N 0 3 323.868 3.250 20 30 DGEDHN Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C#CC(C)C)cs1 ZINC001485057714 1089905743 /nfs/dbraw/zinc/90/57/43/1089905743.db2.gz XRIDKHQXUDVNCD-QGZVFWFLSA-N 0 3 318.486 3.139 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C[C@@H](C)CCC ZINC001162737799 1089914185 /nfs/dbraw/zinc/91/41/85/1089914185.db2.gz ORHGNBOFZYDUFL-SFHVURJKSA-N 0 3 314.473 3.107 20 30 DGEDHN C#CC[C@@H](CC(=O)NC[C@@H](C)N(CC)CC#CC)c1ccccc1 ZINC001157357994 1089922286 /nfs/dbraw/zinc/92/22/86/1089922286.db2.gz OJFVEHBVFUCYAI-QUCCMNQESA-N 0 3 324.468 3.034 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H]2CN(C)CC=C)CCCCC1 ZINC001485077785 1089929882 /nfs/dbraw/zinc/92/98/82/1089929882.db2.gz DITGCSIIOKRTKJ-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(CCF)C3)C2)CCC1 ZINC001485082443 1089940586 /nfs/dbraw/zinc/94/05/86/1089940586.db2.gz OUNXAPAZRVCYFA-IAGOWNOFSA-N 0 3 322.468 3.263 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485144840 1089982920 /nfs/dbraw/zinc/98/29/20/1089982920.db2.gz GLDCRGSRJZFVQZ-QBXVWJGDSA-N 0 3 316.420 3.016 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001485180396 1090007184 /nfs/dbraw/zinc/00/71/84/1090007184.db2.gz CQBXJSDUUAJDMM-ZIAGYGMSSA-N 0 3 319.474 3.349 20 30 DGEDHN Cc1nc(N(C)C)cc(N2CCC(C#Cc3ccccc3)CC2)n1 ZINC001157526040 1090008891 /nfs/dbraw/zinc/00/88/91/1090008891.db2.gz JLZVZWCVQQQYBS-UHFFFAOYSA-N 0 3 320.440 3.119 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCNCCF)CCc1ccccc1 ZINC001162897783 1090012854 /nfs/dbraw/zinc/01/28/54/1090012854.db2.gz JDCGXLBVWXXGRX-QGZVFWFLSA-N 0 3 320.452 3.219 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2scnc2C)CCC1 ZINC001485191060 1090021504 /nfs/dbraw/zinc/02/15/04/1090021504.db2.gz SSJDFQRVCJOCON-QWHCGFSZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2scnc2C)CCC1 ZINC001485191058 1090021546 /nfs/dbraw/zinc/02/15/46/1090021546.db2.gz SSJDFQRVCJOCON-CHWSQXEVSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CCCCC ZINC001157555723 1090026710 /nfs/dbraw/zinc/02/67/10/1090026710.db2.gz WTNABNWFQWIGMG-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC[C@H](C)CC ZINC001162960492 1090036848 /nfs/dbraw/zinc/03/68/48/1090036848.db2.gz UXRWRYAVXDRIKV-GOSISDBHSA-N 0 3 314.473 3.107 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2ccc(CO)cc2)C1 ZINC001203192248 1090049940 /nfs/dbraw/zinc/04/99/40/1090049940.db2.gz AEVKWESBUZQQHO-IBGZPJMESA-N 0 3 322.408 3.094 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001157719289 1090087526 /nfs/dbraw/zinc/08/75/26/1090087526.db2.gz WZTJDQWWBMINPB-UHFFFAOYSA-N 0 3 324.827 3.125 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001485319447 1090097758 /nfs/dbraw/zinc/09/77/58/1090097758.db2.gz OFBABDRFMQGAJJ-KBAYOESNSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(CC)c1 ZINC001485338241 1090123094 /nfs/dbraw/zinc/12/30/94/1090123094.db2.gz HGORBITWMOIOEE-HNNXBMFYSA-N 0 3 302.462 3.398 20 30 DGEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001485390703 1090140994 /nfs/dbraw/zinc/14/09/94/1090140994.db2.gz KOCACGWCNUPVCM-IEBWSBKVSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1F ZINC001157981730 1090164261 /nfs/dbraw/zinc/16/42/61/1090164261.db2.gz IGDLJKAPLVNEAK-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001158011547 1090171105 /nfs/dbraw/zinc/17/11/05/1090171105.db2.gz CJWLYQYNYLBINV-QGZVFWFLSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](CC)CC(F)F ZINC001158067199 1090180412 /nfs/dbraw/zinc/18/04/12/1090180412.db2.gz XAXYRHALSVTTPG-ZIAGYGMSSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cncc(Cl)c1C ZINC001158096817 1090183174 /nfs/dbraw/zinc/18/31/74/1090183174.db2.gz VJCKPINGQPHTBF-CQSZACIVSA-N 0 3 321.852 3.156 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](OCC)C1CCCC1 ZINC001485480978 1090186603 /nfs/dbraw/zinc/18/66/03/1090186603.db2.gz VDOWQBHYUJMUKY-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccnc(C2CC2)c1 ZINC001158195417 1090199607 /nfs/dbraw/zinc/19/96/07/1090199607.db2.gz YZQNGFFNDMANOE-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccn2ccccc12 ZINC001158212672 1090202874 /nfs/dbraw/zinc/20/28/74/1090202874.db2.gz ZIUDRHFVHSTUKR-MRXNPFEDSA-N 0 3 311.429 3.052 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001485534802 1090205331 /nfs/dbraw/zinc/20/53/31/1090205331.db2.gz BHZBJWZYZXEPJR-MRXNPFEDSA-N 0 3 322.452 3.395 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2sc(C)nc2C)C(C)(C)C1 ZINC001485580511 1090217765 /nfs/dbraw/zinc/21/77/65/1090217765.db2.gz KCAXHHFBTBJKCB-AWEZNQCLSA-N 0 3 321.490 3.166 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC3(C)CC3)C[C@H]2C1 ZINC001485658735 1090232472 /nfs/dbraw/zinc/23/24/72/1090232472.db2.gz UXMYJKLGKBKSID-KKUMJFAQSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001163686732 1090233993 /nfs/dbraw/zinc/23/39/93/1090233993.db2.gz BCUUHLVOSBWABU-UHFFFAOYSA-N 0 3 324.827 3.096 20 30 DGEDHN C[C@H](CCCNCc1cc(C#N)ccc1F)NC(=O)C(C)(C)C ZINC001485746938 1090264748 /nfs/dbraw/zinc/26/47/48/1090264748.db2.gz QQZIHTNLUPTEQI-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001164221969 1090376841 /nfs/dbraw/zinc/37/68/41/1090376841.db2.gz HEBGDQAJKXZINT-STQMWFEESA-N 0 3 310.388 3.019 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCNCc1cccc(F)c1F ZINC001164324588 1090400742 /nfs/dbraw/zinc/40/07/42/1090400742.db2.gz XANNKMYETMYSRF-CYBMUJFWSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2sccc2F)CC1 ZINC001164427414 1090422760 /nfs/dbraw/zinc/42/27/60/1090422760.db2.gz MUMUMGVPPVHBKG-UHFFFAOYSA-N 0 3 316.829 3.129 20 30 DGEDHN C[C@@H]1CN(c2cc(CC#N)ccn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201075 1090479274 /nfs/dbraw/zinc/47/92/74/1090479274.db2.gz FWCMBZSBTHZRFV-SJORKVTESA-N 0 3 320.440 3.247 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706516 1090489317 /nfs/dbraw/zinc/48/93/17/1090489317.db2.gz RNECOGAGWTYJLU-LPHOPBHVSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)NCCC1(CNCc2nc(C)cs2)CC1 ZINC001165258474 1090490730 /nfs/dbraw/zinc/49/07/30/1090490730.db2.gz ABHUXXJIQQNIOW-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107742021 1090495575 /nfs/dbraw/zinc/49/55/75/1090495575.db2.gz WPFYKAZODZXMII-AEFFLSMTSA-N 0 3 310.482 3.129 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(F)c(Cl)cc1F ZINC001165461777 1090522745 /nfs/dbraw/zinc/52/27/45/1090522745.db2.gz UHZVWWAOUNBPSO-UHFFFAOYSA-N 0 3 323.170 3.080 20 30 DGEDHN N#CCc1cc(F)cc(NCC2CN(Cc3ccccc3)C2)c1 ZINC001165469975 1090523770 /nfs/dbraw/zinc/52/37/70/1090523770.db2.gz WDLFLPKRBKYQJN-UHFFFAOYSA-N 0 3 309.388 3.436 20 30 DGEDHN C=CCCC1(C(=O)NCCCNCc2cc(F)ccc2F)CC1 ZINC001165914251 1090560657 /nfs/dbraw/zinc/56/06/57/1090560657.db2.gz XAZMAMSNLCWYII-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001272765138 1090560791 /nfs/dbraw/zinc/56/07/91/1090560791.db2.gz OMWNXUXODSNOTO-SSUFTNFISA-N 0 3 317.408 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1cccc(F)c1F ZINC001165928830 1090562886 /nfs/dbraw/zinc/56/28/86/1090562886.db2.gz FJMLYPXICXFBGH-QGZVFWFLSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(C3CC3)CCC2)CC1 ZINC001166402929 1090602961 /nfs/dbraw/zinc/60/29/61/1090602961.db2.gz DPRUBSWBELZISV-UHFFFAOYSA-N 0 3 310.869 3.195 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001166604958 1090628448 /nfs/dbraw/zinc/62/84/48/1090628448.db2.gz IPFSKYKWFZYVOY-HNNXBMFYSA-N 0 3 310.869 3.361 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1ccncc1Cl ZINC001272814061 1090631157 /nfs/dbraw/zinc/63/11/57/1090631157.db2.gz MTMJNBVBGDEGQD-CYBMUJFWSA-N 0 3 309.841 3.076 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2c[nH]c3cc(C)ccc23)C1=O ZINC001272853172 1090656545 /nfs/dbraw/zinc/65/65/45/1090656545.db2.gz PEUNCUBBDSEEFV-FQEVSTJZSA-N 0 3 323.440 3.229 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(Cl)cc1F ZINC001272897778 1090673317 /nfs/dbraw/zinc/67/33/17/1090673317.db2.gz NNKWRTOFASVVFC-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN CCC[C@@H](C)CCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001128151742 1090694824 /nfs/dbraw/zinc/69/48/24/1090694824.db2.gz BAYVOCDJYBVPML-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001485847649 1090707708 /nfs/dbraw/zinc/70/77/08/1090707708.db2.gz MCIFLPFDYAMFQC-CABCVRRESA-N 0 3 320.864 3.174 20 30 DGEDHN CC[C@H](C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001485847652 1090708119 /nfs/dbraw/zinc/70/81/19/1090708119.db2.gz MCIFLPFDYAMFQC-LSDHHAIUSA-N 0 3 320.864 3.174 20 30 DGEDHN CC/C=C(/C)C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001272938509 1090715995 /nfs/dbraw/zinc/71/59/95/1090715995.db2.gz KLNHKUUSYVAXFP-JZVSFUAJSA-N 0 3 324.468 3.365 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2sccc2s1 ZINC001485892346 1090720787 /nfs/dbraw/zinc/72/07/87/1090720787.db2.gz ORBQCFUURHNWCV-NSHDSACASA-N 0 3 306.456 3.036 20 30 DGEDHN C=CCCC(C)(C)CNCc1cn(-c2ccc(F)cc2)nn1 ZINC001203338755 1090723320 /nfs/dbraw/zinc/72/33/20/1090723320.db2.gz IMJVXJJSQODPSQ-UHFFFAOYSA-N 0 3 302.397 3.488 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001485909109 1090723783 /nfs/dbraw/zinc/72/37/83/1090723783.db2.gz GNGZKZHRVSESJW-GFCCVEGCSA-N 0 3 310.388 3.114 20 30 DGEDHN CCCC(=O)N1CC[C@@H](NCC#Cc2ccccc2Cl)[C@@H]1C ZINC001486069616 1090741928 /nfs/dbraw/zinc/74/19/28/1090741928.db2.gz ILEMGKDBWKOVKH-WMLDXEAASA-N 0 3 318.848 3.071 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C1CC(C)(C)C1 ZINC001486109623 1090751370 /nfs/dbraw/zinc/75/13/70/1090751370.db2.gz PGEHEGIGNMIMAE-APWZRJJASA-N 0 3 324.468 3.053 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001486117835 1090754596 /nfs/dbraw/zinc/75/45/96/1090754596.db2.gz MVURCULKACBRPI-ICSRJNTNSA-N 0 3 324.468 3.364 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558648 1090755681 /nfs/dbraw/zinc/75/56/81/1090755681.db2.gz SGUOPLMIQPTQRG-QGZVFWFLSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203558648 1090755684 /nfs/dbraw/zinc/75/56/84/1090755684.db2.gz SGUOPLMIQPTQRG-QGZVFWFLSA-N 0 3 308.381 3.307 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@H]1C ZINC001486175057 1090775323 /nfs/dbraw/zinc/77/53/23/1090775323.db2.gz BDBBDQVQFKIRGP-SJORKVTESA-N 0 3 304.478 3.195 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CCOCCCC)[C@@H]2C)C1 ZINC001486182227 1090779414 /nfs/dbraw/zinc/77/94/14/1090779414.db2.gz VDEGQPIPVPJVES-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCC1(NCc2nc3ccc(F)cc3s2)CCOCC1 ZINC001203726955 1090790430 /nfs/dbraw/zinc/79/04/30/1090790430.db2.gz BZDBGCMCPXNTLQ-UHFFFAOYSA-N 0 3 304.390 3.098 20 30 DGEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CCC[C@]1(O)C(F)(F)F ZINC001203757063 1090797073 /nfs/dbraw/zinc/79/70/73/1090797073.db2.gz HRWFSQQPQBQNMW-SWLSCSKDSA-N 0 3 312.335 3.084 20 30 DGEDHN CC(C)c1noc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC001203764216 1090800969 /nfs/dbraw/zinc/80/09/69/1090800969.db2.gz FGXHKXYDRULGLK-INIZCTEOSA-N 0 3 310.401 3.444 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001276421091 1090806727 /nfs/dbraw/zinc/80/67/27/1090806727.db2.gz GTWQPOKSLRUBDY-KBXCAEBGSA-N 0 3 320.502 3.329 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)cc(C)n1)C(C)C ZINC001486371235 1090810696 /nfs/dbraw/zinc/81/06/96/1090810696.db2.gz MOXXNGDLDPPXTL-UHFFFAOYSA-N 0 3 303.450 3.057 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H]1Cc2ccc(Cl)cc21)C(C)C ZINC001486379229 1090815299 /nfs/dbraw/zinc/81/52/99/1090815299.db2.gz JJYSNUOKXFJROL-KRWDZBQOSA-N 0 3 320.864 3.335 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CC2CCC1CC2)C(C)C ZINC001486380476 1090816586 /nfs/dbraw/zinc/81/65/86/1090816586.db2.gz IQAVAGZXGNCPMG-DAWZGUTISA-N 0 3 304.478 3.005 20 30 DGEDHN N#Cc1ccc(C2CCN(Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203881695 1090826337 /nfs/dbraw/zinc/82/63/37/1090826337.db2.gz SRUHHVAXBLIFPX-UHFFFAOYSA-N 0 3 308.381 3.349 20 30 DGEDHN N#Cc1ccc(CC2CCN(Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203882660 1090826671 /nfs/dbraw/zinc/82/66/71/1090826671.db2.gz PKLLDUACMDVVGM-UHFFFAOYSA-N 0 3 322.408 3.424 20 30 DGEDHN C=CCCC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001486444107 1090841853 /nfs/dbraw/zinc/84/18/53/1090841853.db2.gz NYZTYGUWQUJGNC-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2ccncc2Cl)C1 ZINC001486473485 1090849185 /nfs/dbraw/zinc/84/91/85/1090849185.db2.gz SJOQSQDZYCLCGN-UHFFFAOYSA-N 0 3 321.852 3.026 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](CC)CC(C)C)CC2)CC1 ZINC001486490939 1090855734 /nfs/dbraw/zinc/85/57/34/1090855734.db2.gz LFFMURARPPSLOJ-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN N#Cc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC001204043683 1090881631 /nfs/dbraw/zinc/88/16/31/1090881631.db2.gz XIWQFACMDHKKMM-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccc(O)cc3)C2)cc1 ZINC001204099551 1090903437 /nfs/dbraw/zinc/90/34/37/1090903437.db2.gz ZQONFHZKCAVQLC-IBGZPJMESA-N 0 3 308.381 3.307 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001204213475 1090924410 /nfs/dbraw/zinc/92/44/10/1090924410.db2.gz RDYOWIUCEBWOSR-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cc2ccccc2o1 ZINC001272964838 1090935112 /nfs/dbraw/zinc/93/51/12/1090935112.db2.gz PSPOFZLSHJIYNO-HXUWFJFHSA-N 0 3 322.408 3.023 20 30 DGEDHN C=C(C)CCC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001128408925 1090956765 /nfs/dbraw/zinc/95/67/65/1090956765.db2.gz LUOVVDDPZASUKN-INIZCTEOSA-N 0 3 308.372 3.014 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(CC)o1)C2 ZINC001204391603 1090961010 /nfs/dbraw/zinc/96/10/10/1090961010.db2.gz RKRWIEPHUAGKMI-LJQANCHMSA-N 0 3 316.445 3.375 20 30 DGEDHN Cc1nn(-c2ccccc2)c(C)c1CN1CCC(S)CC1 ZINC001204455917 1090973779 /nfs/dbraw/zinc/97/37/79/1090973779.db2.gz MLIUQJRAJGHOSZ-UHFFFAOYSA-N 0 3 301.459 3.383 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1)c1ccccc1 ZINC001276467452 1090976536 /nfs/dbraw/zinc/97/65/36/1090976536.db2.gz BCLVMKRVZGVYBI-LPHOPBHVSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204533767 1090993757 /nfs/dbraw/zinc/99/37/57/1090993757.db2.gz OGJSMGODNXZXEY-UHFFFAOYSA-N 0 3 302.418 3.039 20 30 DGEDHN Cc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#N ZINC001204747401 1091028556 /nfs/dbraw/zinc/02/85/56/1091028556.db2.gz URWOMXMBILXSJA-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc(C(F)F)c2F)CCC1 ZINC001273084136 1091031567 /nfs/dbraw/zinc/03/15/67/1091031567.db2.gz CTVRTIHOXXWGTC-UHFFFAOYSA-N 0 3 324.346 3.029 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108130916 1091121342 /nfs/dbraw/zinc/12/13/42/1091121342.db2.gz ZBSKEMRHQFLYON-HKUYNNGSSA-N 0 3 322.493 3.295 20 30 DGEDHN CC(=O)[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138336433 1091145751 /nfs/dbraw/zinc/14/57/51/1091145751.db2.gz SIHCYUWUEUJRHN-OAQYLSRUSA-N 0 3 303.405 3.497 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC001273139769 1091173237 /nfs/dbraw/zinc/17/32/37/1091173237.db2.gz GSAJQTRLRUWOSZ-LLVKDONJSA-N 0 3 301.217 3.191 20 30 DGEDHN C#CCOc1ccc(CN2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC001138559040 1091227614 /nfs/dbraw/zinc/22/76/14/1091227614.db2.gz MGQBCVOCTYHHKZ-OAQYLSRUSA-N 0 3 320.436 3.187 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](Oc3ncccc3C)C2)cc1 ZINC001138560794 1091230074 /nfs/dbraw/zinc/23/00/74/1091230074.db2.gz OEIIBEZCMTUWMS-IBGZPJMESA-N 0 3 322.408 3.055 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c1[O-] ZINC001138628752 1091260231 /nfs/dbraw/zinc/26/02/31/1091260231.db2.gz DCZUNVCOGQKGHX-NJAFHUGGSA-N 0 3 301.430 3.368 20 30 DGEDHN C=CCc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c1[O-] ZINC001138628752 1091260237 /nfs/dbraw/zinc/26/02/37/1091260237.db2.gz DCZUNVCOGQKGHX-NJAFHUGGSA-N 0 3 301.430 3.368 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1[O-] ZINC001138631454 1091264465 /nfs/dbraw/zinc/26/44/65/1091264465.db2.gz SOGAEFFJXPITOJ-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c1[O-] ZINC001138631454 1091264474 /nfs/dbraw/zinc/26/44/74/1091264474.db2.gz SOGAEFFJXPITOJ-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1[O-] ZINC001138629667 1091264515 /nfs/dbraw/zinc/26/45/15/1091264515.db2.gz FAUQSUAXDGFIAT-UHFFFAOYSA-N 0 3 311.429 3.234 20 30 DGEDHN C[C@H](c1ccccn1)N1CC[C@@H](OCc2cccc(C#N)c2)C1 ZINC001205595197 1091272266 /nfs/dbraw/zinc/27/22/66/1091272266.db2.gz CMJPNBZSHIAAJI-CRAIPNDOSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC[C@@](C)(C(=O)OC)C1 ZINC001138666552 1091283280 /nfs/dbraw/zinc/28/32/80/1091283280.db2.gz XJSHROWNMSOYGQ-GOSISDBHSA-N 0 3 303.402 3.027 20 30 DGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001138882711 1091362848 /nfs/dbraw/zinc/36/28/48/1091362848.db2.gz RRXVNSNOQRKRRB-IBEGIYRJSA-N 0 3 310.376 3.482 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108188140 1091368272 /nfs/dbraw/zinc/36/82/72/1091368272.db2.gz QRJJPIGLAQWHAC-MOPGFXCFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C\c1ccco1 ZINC001098867050 1091395458 /nfs/dbraw/zinc/39/54/58/1091395458.db2.gz CBECIKQXLJCAOH-LZNQSLFOSA-N 0 3 302.418 3.086 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001273204935 1091413094 /nfs/dbraw/zinc/41/30/94/1091413094.db2.gz PADQTGVDOQSVIG-ZBFHGGJFSA-N 0 3 322.880 3.411 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001206100883 1091492253 /nfs/dbraw/zinc/49/22/53/1091492253.db2.gz XNOBYHCJCVDFQL-UHFFFAOYSA-N 0 3 311.385 3.387 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C)cc(F)c2F)no1 ZINC001206100443 1091492277 /nfs/dbraw/zinc/49/22/77/1091492277.db2.gz PGCXQBGCYMLPDS-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001206099867 1091492468 /nfs/dbraw/zinc/49/24/68/1091492468.db2.gz HPBJPXFPYNUPRU-UHFFFAOYSA-N 0 3 324.306 3.259 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)[C@@H]2C1 ZINC001084498312 1091495925 /nfs/dbraw/zinc/49/59/25/1091495925.db2.gz SVYIWKHSQNPUCT-MLGOLLRUSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001084503856 1091497691 /nfs/dbraw/zinc/49/76/91/1091497691.db2.gz WBQPZAVOTDTRTQ-RTBURBONSA-N 0 3 312.457 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCC4(CC4)CC3)[C@@H]2C1 ZINC001084525220 1091498432 /nfs/dbraw/zinc/49/84/32/1091498432.db2.gz BOGAGFBWNHULDO-IAGOWNOFSA-N 0 3 302.462 3.066 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001084578215 1091507178 /nfs/dbraw/zinc/50/71/78/1091507178.db2.gz PZACHRHBQDTVQV-QZTJIDSGSA-N 0 3 312.457 3.240 20 30 DGEDHN C=C(C)CN(CC)Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001139386376 1091540359 /nfs/dbraw/zinc/54/03/59/1091540359.db2.gz YBJMKHNXQRGCFT-HZPDHXFCSA-N 0 3 303.450 3.093 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)[C@@H]2C1 ZINC001084702558 1091544366 /nfs/dbraw/zinc/54/43/66/1091544366.db2.gz FSLHIKBBNPYGHT-XLSPSMHOSA-N 0 3 316.489 3.005 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)C3CCCCC3)[C@@H]2C1 ZINC001084710164 1091547060 /nfs/dbraw/zinc/54/70/60/1091547060.db2.gz OEOKICSGOMLHPX-SJLPKXTDSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(CC(C)C)cc3)[C@@H]2C1 ZINC001084822334 1091582921 /nfs/dbraw/zinc/58/29/21/1091582921.db2.gz UMZLKANJUMDKFY-WOJBJXKFSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sccc3CC)[C@@H]2C1 ZINC001084849349 1091590899 /nfs/dbraw/zinc/59/08/99/1091590899.db2.gz YNCCBNXVMGQATN-HUUCEWRRSA-N 0 3 304.459 3.033 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2cc3ccccc3s2)C1=O ZINC001273237331 1091598654 /nfs/dbraw/zinc/59/86/54/1091598654.db2.gz PBKOACPIXBXONF-IBGZPJMESA-N 0 3 324.449 3.101 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncs1 ZINC001098932113 1091628524 /nfs/dbraw/zinc/62/85/24/1091628524.db2.gz BRPCWUKFHCADSG-CQSZACIVSA-N 0 3 321.490 3.330 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(C)c3)C[C@@H]21 ZINC001085045485 1091648797 /nfs/dbraw/zinc/64/87/97/1091648797.db2.gz RRNQHSVRYULFNK-SCTDSRPQSA-N 0 3 312.457 3.207 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CSc3ccccc3O2)c(F)c1 ZINC001202963447 1091651462 /nfs/dbraw/zinc/65/14/62/1091651462.db2.gz ANMQIMIJTCBGTD-CQSZACIVSA-N 0 3 314.385 3.340 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)s3)C[C@@H]21 ZINC001085074662 1091659899 /nfs/dbraw/zinc/65/98/99/1091659899.db2.gz WADUARRTBIGIRM-XHSDSOJGSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCn1cc(CN2CCC(COc3ccccc3)CC2)cn1 ZINC001139770060 1091667473 /nfs/dbraw/zinc/66/74/73/1091667473.db2.gz BCWFKQRPSMMZFH-UHFFFAOYSA-N 0 3 311.429 3.360 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@]3(C)CC=C(C)CC3)C[C@@H]21 ZINC001085098994 1091669858 /nfs/dbraw/zinc/66/98/58/1091669858.db2.gz YFPNLXPWSMUZRC-AOIWGVFYSA-N 0 3 302.462 3.232 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@]3(C)CC=C(C)CC3)C[C@@H]21 ZINC001085098605 1091669889 /nfs/dbraw/zinc/66/98/89/1091669889.db2.gz BLEWJYKNNHZYIZ-WSTZPKSXSA-N 0 3 314.473 3.069 20 30 DGEDHN CCCNC(=O)c1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000822933077 1091674412 /nfs/dbraw/zinc/67/44/12/1091674412.db2.gz JIHACCAHEBRRAE-CQSZACIVSA-N 0 3 301.434 3.244 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCCCC ZINC001098961072 1091687843 /nfs/dbraw/zinc/68/78/43/1091687843.db2.gz VKDGCPAEAYJFPV-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1ccc(C)s1 ZINC001139869672 1091695437 /nfs/dbraw/zinc/69/54/37/1091695437.db2.gz PEFOHDBFGAZBQD-UHFFFAOYSA-N 0 3 308.491 3.346 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCc2c1cccc2Cl ZINC001139869294 1091695510 /nfs/dbraw/zinc/69/55/10/1091695510.db2.gz DRGWPOPNKYJUEL-INIZCTEOSA-N 0 3 320.864 3.336 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc(C)c1Cl ZINC001139870058 1091696175 /nfs/dbraw/zinc/69/61/75/1091696175.db2.gz XDMMFAXZYFULEQ-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CC(F)(F)C1 ZINC001085247857 1091725756 /nfs/dbraw/zinc/72/57/56/1091725756.db2.gz FKEYUVFAHBMQCV-CHWSQXEVSA-N 0 3 320.811 3.191 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001085279600 1091732936 /nfs/dbraw/zinc/73/29/36/1091732936.db2.gz UBJVAZJYPPACEC-CAOSSQGBSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001085301738 1091740147 /nfs/dbraw/zinc/74/01/47/1091740147.db2.gz IXDXDMCVRURMHQ-HUUCEWRRSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085337920 1091748873 /nfs/dbraw/zinc/74/88/73/1091748873.db2.gz BRRNOVCBOMRBEJ-KLHDSHLOSA-N 0 3 312.885 3.438 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1ccc(C)o1 ZINC001085356858 1091753978 /nfs/dbraw/zinc/75/39/78/1091753978.db2.gz RYBIERATTYTZSK-RBSFLKMASA-N 0 3 324.852 3.461 20 30 DGEDHN N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001140116363 1091772590 /nfs/dbraw/zinc/77/25/90/1091772590.db2.gz WGDHATQUSLKNFG-UHFFFAOYSA-N 0 3 303.365 3.303 20 30 DGEDHN N#Cc1ccc2[nH]cc(C[N@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001140116363 1091772599 /nfs/dbraw/zinc/77/25/99/1091772599.db2.gz WGDHATQUSLKNFG-UHFFFAOYSA-N 0 3 303.365 3.303 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@]4(C3)CC(F)(F)CO4)c2c1 ZINC001140116056 1091773005 /nfs/dbraw/zinc/77/30/05/1091773005.db2.gz PQBOXYMLLBQPBG-INIZCTEOSA-N 0 3 317.339 3.040 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccccc2C2CC2)C[C@H]1C ZINC001206947148 1091803930 /nfs/dbraw/zinc/80/39/30/1091803930.db2.gz HYYFADRTDZJDPN-OXQOHEQNSA-N 0 3 324.468 3.160 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001085593171 1091846706 /nfs/dbraw/zinc/84/67/06/1091846706.db2.gz CURADANHXOLGLF-BZUAXINKSA-N 0 3 318.486 3.269 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085619822 1091857425 /nfs/dbraw/zinc/85/74/25/1091857425.db2.gz YYXBNPLJAGTVGY-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001085633024 1091864098 /nfs/dbraw/zinc/86/40/98/1091864098.db2.gz KFEGDHWLOIUUQP-CQSZACIVSA-N 0 3 323.387 3.132 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nccc2ccsc21 ZINC001085651450 1091868926 /nfs/dbraw/zinc/86/89/26/1091868926.db2.gz UOCOXMDESCNCMU-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2cc(C)sc2C)C1=O ZINC001273352917 1091870881 /nfs/dbraw/zinc/87/08/81/1091870881.db2.gz QAKNXKFQBZJOCJ-KRWDZBQOSA-N 0 3 304.459 3.118 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698032 1091883867 /nfs/dbraw/zinc/88/38/67/1091883867.db2.gz ASAYAMBOIPWWCA-MRXNPFEDSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCN(CCN1CCC2(CCCO2)CC1)C(=O)OC(C)(C)C ZINC001207205144 1091886812 /nfs/dbraw/zinc/88/68/12/1091886812.db2.gz FQRPACMEYXKRIZ-UHFFFAOYSA-N 0 3 324.465 3.055 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(F)cc(C)cc1F ZINC001085714652 1091896099 /nfs/dbraw/zinc/89/60/99/1091896099.db2.gz PQKSYNSPSMKRNI-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCC1(F)F ZINC001085741258 1091907567 /nfs/dbraw/zinc/90/75/67/1091907567.db2.gz LAZCLMZPMADJOY-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1C(C)C ZINC001085747740 1091909866 /nfs/dbraw/zinc/90/98/66/1091909866.db2.gz OKYXGDASDYSPAS-INIZCTEOSA-N 0 3 315.461 3.236 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CN1CCC[C@@H](C#N)CC1 ZINC001207315486 1091921230 /nfs/dbraw/zinc/92/12/30/1091921230.db2.gz RLLKNOAKPAEZNO-CVEARBPZSA-N 0 3 321.465 3.402 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CN1CCC[C@@H](CC#N)C1 ZINC001207315463 1091921713 /nfs/dbraw/zinc/92/17/13/1091921713.db2.gz QYBRPEXEYKXURU-JKSUJKDBSA-N 0 3 321.465 3.402 20 30 DGEDHN CC(C)(C)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207335745 1091928611 /nfs/dbraw/zinc/92/86/11/1091928611.db2.gz PPTXBRKNDNFFDF-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787054 1091931776 /nfs/dbraw/zinc/93/17/76/1091931776.db2.gz DXAWRZDXWCIPHM-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001085797847 1091940006 /nfs/dbraw/zinc/94/00/06/1091940006.db2.gz BUQAPXBGQYKBKR-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(CCC)cc1 ZINC001273364190 1091953157 /nfs/dbraw/zinc/95/31/57/1091953157.db2.gz XCEAYYOCKPBHCU-NRFANRHFSA-N 0 3 324.468 3.229 20 30 DGEDHN N#CC1(c2ccccc2F)CCN(C[C@@H]2CCCOC2)CC1 ZINC001207469823 1091979734 /nfs/dbraw/zinc/97/97/34/1091979734.db2.gz QCWIDCLBKLRVNX-HNNXBMFYSA-N 0 3 302.393 3.109 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC001085854691 1091983460 /nfs/dbraw/zinc/98/34/60/1091983460.db2.gz FHQWWYYHLXMBKC-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN CO[C@H]1CCC[C@@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001140758106 1091986541 /nfs/dbraw/zinc/98/65/41/1091986541.db2.gz ZZUPUCIFNDBGJJ-IFIJOSMWSA-N 0 3 306.356 3.083 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085922165 1092017297 /nfs/dbraw/zinc/01/72/97/1092017297.db2.gz WJTDFTKLJDCARQ-HNNXBMFYSA-N 0 3 304.434 3.263 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001207560388 1092023257 /nfs/dbraw/zinc/02/32/57/1092023257.db2.gz YEMSNWWYWNPNKB-RHSMWYFYSA-N 0 3 318.436 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943206 1092024288 /nfs/dbraw/zinc/02/42/88/1092024288.db2.gz BNSQBGXEIWVSFC-CYBMUJFWSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001085941732 1092032078 /nfs/dbraw/zinc/03/20/78/1092032078.db2.gz OQFUFOZWQLIPIB-AZRLCKCBSA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001207627929 1092048689 /nfs/dbraw/zinc/04/86/89/1092048689.db2.gz CSGJRTNVDCHABJ-GJZGRUSLSA-N 0 3 304.409 3.434 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085962891 1092051793 /nfs/dbraw/zinc/05/17/93/1092051793.db2.gz RRXGHSATRZTPTG-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001207634992 1092053128 /nfs/dbraw/zinc/05/31/28/1092053128.db2.gz HHEUGOZQFTUKHS-AWEZNQCLSA-N 0 3 308.372 3.012 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncc2ccccc21 ZINC001085985746 1092074188 /nfs/dbraw/zinc/07/41/88/1092074188.db2.gz MFDBNZRPWBTUIC-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950232 1092078346 /nfs/dbraw/zinc/07/83/46/1092078346.db2.gz WLAZMGSCRIYLAT-PKOBYXMFSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950232 1092078356 /nfs/dbraw/zinc/07/83/56/1092078356.db2.gz WLAZMGSCRIYLAT-PKOBYXMFSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2c1cccc2Cl ZINC001085995942 1092083822 /nfs/dbraw/zinc/08/38/22/1092083822.db2.gz YVNWFBPXZFLQES-BBRMVZONSA-N 0 3 318.848 3.089 20 30 DGEDHN O=C(CCC1CCC1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207759261 1092091056 /nfs/dbraw/zinc/09/10/56/1092091056.db2.gz SYVAYVJWULHJQT-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001273394401 1092117502 /nfs/dbraw/zinc/11/75/02/1092117502.db2.gz YUVJXXIFNOGSIO-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207914738 1092141459 /nfs/dbraw/zinc/14/14/59/1092141459.db2.gz NWEMTHKVMDMCBO-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141160975 1092157836 /nfs/dbraw/zinc/15/78/36/1092157836.db2.gz LLASQOSCHADIHY-KRWDZBQOSA-N 0 3 324.380 3.013 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001086237801 1092174353 /nfs/dbraw/zinc/17/43/53/1092174353.db2.gz RKOSMBPCDVXMNJ-LVQVYYBASA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001086241991 1092177578 /nfs/dbraw/zinc/17/75/78/1092177578.db2.gz YEZBNDAXWQSGQJ-IVSAIRAKSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001086254827 1092179330 /nfs/dbraw/zinc/17/93/30/1092179330.db2.gz VXPYGZAOJFDAPB-GASCZTMLSA-N 0 3 323.868 3.064 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001086280234 1092191075 /nfs/dbraw/zinc/19/10/75/1092191075.db2.gz QWDHGWOYBCKYTH-NCZKRNLISA-N 0 3 312.885 3.296 20 30 DGEDHN N#Cc1ccc(Oc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC001141287322 1092199616 /nfs/dbraw/zinc/19/96/16/1092199616.db2.gz BOIOUVWTKZYPSF-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN Cc1ccc2cc(CN3CCC4SC(=O)C=C4C3)ccc2n1 ZINC001141475374 1092250610 /nfs/dbraw/zinc/25/06/10/1092250610.db2.gz FCPQGAUHSJMNEV-KRWDZBQOSA-N 0 3 310.422 3.317 20 30 DGEDHN Cc1ccc2cc(CN3CC[C@@H]4SC(=O)C=C4C3)ccc2n1 ZINC001141475374 1092250644 /nfs/dbraw/zinc/25/06/44/1092250644.db2.gz FCPQGAUHSJMNEV-KRWDZBQOSA-N 0 3 310.422 3.317 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001086487638 1092274008 /nfs/dbraw/zinc/27/40/08/1092274008.db2.gz ILODCFDAYKJDMF-KLHDSHLOSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC001273437458 1092295853 /nfs/dbraw/zinc/29/58/53/1092295853.db2.gz ONXFXHBHENXDKI-CVEARBPZSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CC1(CC(=O)N2CCC[C@@H](N(C)CC#CC)C2)CCCCC1 ZINC001491954998 1092322462 /nfs/dbraw/zinc/32/24/62/1092322462.db2.gz OUDHHUPGDIVOFH-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001491965676 1092327678 /nfs/dbraw/zinc/32/76/78/1092327678.db2.gz RHMHGSGVQHYPAL-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001491964879 1092328483 /nfs/dbraw/zinc/32/84/83/1092328483.db2.gz CUNXCVXSQDPBPJ-ICSRJNTNSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn(C)c2ccccc12 ZINC001492053349 1092363051 /nfs/dbraw/zinc/36/30/51/1092363051.db2.gz JMGVMSLCBSOMLV-ZDUSSCGKSA-N 0 3 319.836 3.029 20 30 DGEDHN C[C@@]1(O)CCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141977795 1092374646 /nfs/dbraw/zinc/37/46/46/1092374646.db2.gz PQNXLZWXLKSLLO-LJQANCHMSA-N 0 3 311.450 3.495 20 30 DGEDHN COC(=O)CCN(C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141977772 1092375923 /nfs/dbraw/zinc/37/59/23/1092375923.db2.gz OUWMSIRLNIHZEM-UHFFFAOYSA-N 0 3 313.422 3.143 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C(F)F)o1 ZINC001492120897 1092390087 /nfs/dbraw/zinc/39/00/87/1092390087.db2.gz ZEUHCXMJHZTUIQ-SECBINFHSA-N 0 3 306.740 3.068 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492089709 1092400254 /nfs/dbraw/zinc/40/02/54/1092400254.db2.gz GQSLQKQHIDQHKZ-OAHLLOKOSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001208598350 1092419504 /nfs/dbraw/zinc/41/95/04/1092419504.db2.gz ZWMUOSPHWJOMCF-HDMKZQKVSA-N 0 3 318.436 3.017 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001492369658 1092484481 /nfs/dbraw/zinc/48/44/81/1092484481.db2.gz LWPCEPDBZYKRCD-UHFFFAOYSA-N 0 3 306.425 3.306 20 30 DGEDHN CN1CCN(CCCc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC001208858916 1092548588 /nfs/dbraw/zinc/54/85/88/1092548588.db2.gz ATJNJJBOFDOWLV-OAQYLSRUSA-N 0 3 319.452 3.480 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001208867960 1092552751 /nfs/dbraw/zinc/55/27/51/1092552751.db2.gz KGJIXFYDAXTMDG-GVDBMIGSSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001208867959 1092553448 /nfs/dbraw/zinc/55/34/48/1092553448.db2.gz KGJIXFYDAXTMDG-BRWVUGGUSA-N 0 3 324.509 3.088 20 30 DGEDHN CCC(CC)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001169197879 1092583134 /nfs/dbraw/zinc/58/31/34/1092583134.db2.gz QXMONGLXGZGMBJ-SFHVURJKSA-N 0 3 303.425 3.444 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCc1ccc(C#N)cc1 ZINC001208926683 1092589411 /nfs/dbraw/zinc/58/94/11/1092589411.db2.gz YFMYKFSCRJCMMI-SFHVURJKSA-N 0 3 319.452 3.307 20 30 DGEDHN N#Cc1ccc(CCN2CCN3CCc4ccccc4[C@H]3C2)cc1 ZINC001208928101 1092590594 /nfs/dbraw/zinc/59/05/94/1092590594.db2.gz UKCAWQNTPOOICU-OAQYLSRUSA-N 0 3 317.436 3.016 20 30 DGEDHN C=CCN(CCN1CC[C@H](c2ccccc2F)C1)C(=O)OCC ZINC001209022232 1092628402 /nfs/dbraw/zinc/62/84/02/1092628402.db2.gz JWFCURBVLXKQQV-HNNXBMFYSA-N 0 3 320.408 3.260 20 30 DGEDHN COC(=O)c1ccc2[nH]cc(CN3CCC[C@@H](CC#N)C3)c2c1 ZINC001143237604 1092639765 /nfs/dbraw/zinc/63/97/65/1092639765.db2.gz QGGWQMPIVWPPKM-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001209125233 1092663605 /nfs/dbraw/zinc/66/36/05/1092663605.db2.gz JOBRLYUQZXLOJH-BPQIPLTHSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001209134771 1092667791 /nfs/dbraw/zinc/66/77/91/1092667791.db2.gz UNRIWQGNHYKIRP-JFIYKMOQSA-N 0 3 300.446 3.111 20 30 DGEDHN C=CCCCN1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001209161017 1092676439 /nfs/dbraw/zinc/67/64/39/1092676439.db2.gz HABLFXJABXWZOT-IBGZPJMESA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001209166091 1092679628 /nfs/dbraw/zinc/67/96/28/1092679628.db2.gz XJXKIYHUBBYAMI-UHFFFAOYSA-N 0 3 307.459 3.236 20 30 DGEDHN C=CCCCCN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001209200846 1092690958 /nfs/dbraw/zinc/69/09/58/1092690958.db2.gz PZQPJAKBVRIGOH-LJQANCHMSA-N 0 3 315.461 3.109 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC001209224557 1092703969 /nfs/dbraw/zinc/70/39/69/1092703969.db2.gz BVUFPDFGYPYKAE-NZSAHSFTSA-N 0 3 314.473 3.186 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCCN(CCOc3ccccc3)C2)cc1 ZINC001209300573 1092729832 /nfs/dbraw/zinc/72/98/32/1092729832.db2.gz YWTNDGQNRCDCBH-FQEVSTJZSA-N 0 3 322.408 3.480 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCC[C@H](C)CCC)C1 ZINC001149781162 1092729995 /nfs/dbraw/zinc/72/99/95/1092729995.db2.gz MQMSOGRTMYUGFP-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001276634050 1092737677 /nfs/dbraw/zinc/73/76/77/1092737677.db2.gz OKNNZYYBSIKABB-NSHDSACASA-N 0 3 305.249 3.002 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001149966172 1092745113 /nfs/dbraw/zinc/74/51/13/1092745113.db2.gz HXDNWNUVXOXZNL-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209453853 1092781543 /nfs/dbraw/zinc/78/15/43/1092781543.db2.gz DVSMIEDARPVVJM-TZIWHRDSSA-N 0 3 324.468 3.221 20 30 DGEDHN CC[C@H](CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2)NC(=O)OC(C)(C)C ZINC001209471000 1092787154 /nfs/dbraw/zinc/78/71/54/1092787154.db2.gz ZPBQNAOPUBNHEE-TUVASFSCSA-N 0 3 307.438 3.056 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001150744604 1092817327 /nfs/dbraw/zinc/81/73/27/1092817327.db2.gz IAIYFSVRDPDKQZ-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN CCCN1CCc2c(N)sc(Nc3ccc(C#N)nc3)c2C1 ZINC001209559713 1092823998 /nfs/dbraw/zinc/82/39/98/1092823998.db2.gz PKWPESLABMUUMT-UHFFFAOYSA-N 0 3 313.430 3.109 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)CCCC(C)(C)C)CC1 ZINC001151014620 1092853552 /nfs/dbraw/zinc/85/35/52/1092853552.db2.gz VFNYUUZZZPBWQS-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C(C)=C2CCCC2)CC1 ZINC001151056962 1092859900 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COC(=O)c1cc(C#N)ccc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213075644 1093510302 /nfs/dbraw/zinc/51/03/02/1093510302.db2.gz YCAACOJWFWTCKF-UHFFFAOYSA-N 0 3 306.325 3.273 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@H](OC)C1 ZINC001213258580 1093552850 /nfs/dbraw/zinc/55/28/50/1093552850.db2.gz WQWULDBARBNOEK-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(N)c(C#N)c3)cccc21 ZINC001213443317 1093587244 /nfs/dbraw/zinc/58/72/44/1093587244.db2.gz FRTWTQAJCMTRBA-QGZVFWFLSA-N 0 3 308.385 3.269 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1OC ZINC001213497902 1093596267 /nfs/dbraw/zinc/59/62/67/1093596267.db2.gz MLASJNKHYZVPQS-HZPDHXFCSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)CC(C)C)[C@H](OC)C1 ZINC001213633858 1093631299 /nfs/dbraw/zinc/63/12/99/1093631299.db2.gz LMZIBYQGJJSGNZ-RCCFBDPRSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](CC)CCC)[C@H](OC)C1 ZINC001213638267 1093632462 /nfs/dbraw/zinc/63/24/62/1093632462.db2.gz GZKVTBMNFWBXKV-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001214741469 1093844790 /nfs/dbraw/zinc/84/47/90/1093844790.db2.gz MQKZUQGPBYJFLY-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1coc2cc(C)c(C)cc21 ZINC001280836246 1093892697 /nfs/dbraw/zinc/89/26/97/1093892697.db2.gz UKEGIHGOHUYRIP-UHFFFAOYSA-N 0 3 312.413 3.077 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215379110 1093972303 /nfs/dbraw/zinc/97/23/03/1093972303.db2.gz IRBPHHIASBXKEG-JHJVBQTASA-N 0 3 319.276 3.344 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001215427836 1093981235 /nfs/dbraw/zinc/98/12/35/1093981235.db2.gz MEUKUXPNFZGMJS-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001215429992 1093981352 /nfs/dbraw/zinc/98/13/52/1093981352.db2.gz UVKKCKZNRLNUGE-MLGOLLRUSA-N 0 3 321.490 3.053 20 30 DGEDHN C#Cc1nccnc1Nc1cccc(CN2CCCCC2)c1F ZINC001215675853 1094030360 /nfs/dbraw/zinc/03/03/60/1094030360.db2.gz IXZMMJPFIOHYAJ-UHFFFAOYSA-N 0 3 310.376 3.327 20 30 DGEDHN C#Cc1cccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1 ZINC001216869489 1094272694 /nfs/dbraw/zinc/27/26/94/1094272694.db2.gz GRYHSNCKPFQHTF-UHFFFAOYSA-N 0 3 303.365 3.447 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)CC1CCCCC1)C1CCN(C)CC1 ZINC001119983079 1094333768 /nfs/dbraw/zinc/33/37/68/1094333768.db2.gz GMULYYKAQVBWAL-INIZCTEOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CC(C)(C)C)[C@H]2C1 ZINC001217290307 1094361891 /nfs/dbraw/zinc/36/18/91/1094361891.db2.gz CYOIVFYTYVCXEP-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCO[C@@H]2CN(CCCCCCC)C[C@@H]21 ZINC001217420905 1094406927 /nfs/dbraw/zinc/40/69/27/1094406927.db2.gz SEVGJCOODZOXHG-HMBXQEKBSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)CCCF)C1 ZINC001120414499 1094424200 /nfs/dbraw/zinc/42/42/00/1094424200.db2.gz WPCOQPCOGPETCU-GJZGRUSLSA-N 0 3 316.848 3.192 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135236904 1094454799 /nfs/dbraw/zinc/45/47/99/1094454799.db2.gz YKJOQCNKEMZQPN-CABCVRRESA-N 0 3 313.445 3.143 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001135230675 1094460674 /nfs/dbraw/zinc/46/06/74/1094460674.db2.gz QFVRUIMTORPURK-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN CC(C)n1c(CNC[C@@H](O)CC(C)(C)C#N)nc2ccccc21 ZINC001120584018 1094461632 /nfs/dbraw/zinc/46/16/32/1094461632.db2.gz YSFKTLKSBMSOAE-AWEZNQCLSA-N 0 3 314.433 3.008 20 30 DGEDHN C=C(C)CCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001120621320 1094472471 /nfs/dbraw/zinc/47/24/71/1094472471.db2.gz VMPCRUHYSVLRSH-UHFFFAOYSA-N 0 3 300.446 3.466 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)/C=C(\C)CC)[C@H]2C1 ZINC001217825411 1094501149 /nfs/dbraw/zinc/50/11/49/1094501149.db2.gz BFJBLNSTGNXEKX-SHJQCXLZSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC001135358014 1094502407 /nfs/dbraw/zinc/50/24/07/1094502407.db2.gz LEAZSGPEOITHDS-KBPBESRZSA-N 0 3 319.449 3.281 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OC1c2ccccc2CCc2ccccc21 ZINC001217832548 1094502800 /nfs/dbraw/zinc/50/28/00/1094502800.db2.gz OXAOEHHCUWKGOS-LPHOPBHVSA-N 0 3 304.393 3.003 20 30 DGEDHN CCOC(=O)CCCCCCCCCCO[C@@H]1CNC[C@@H]1C#N ZINC001217831610 1094503045 /nfs/dbraw/zinc/50/30/45/1094503045.db2.gz KJGNQZDYRBFFJH-DLBZAZTESA-N 0 3 324.465 3.189 20 30 DGEDHN [O-]/N=C(/c1ccccc1)[C@H](OC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC001217838930 1094503708 /nfs/dbraw/zinc/50/37/08/1094503708.db2.gz GHXPUWSAOWGINB-WSUGQWEGSA-N 0 3 310.397 3.375 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2ocnc2C)CC1 ZINC001135384113 1094509018 /nfs/dbraw/zinc/50/90/18/1094509018.db2.gz ZHMIFNUFEPTKNI-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2cnc(C)o2)CCC1 ZINC001135395349 1094515291 /nfs/dbraw/zinc/51/52/91/1094515291.db2.gz PNDQYPLIENDWEZ-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2ccccc2C#N)CC1 ZINC001135398205 1094516847 /nfs/dbraw/zinc/51/68/47/1094516847.db2.gz IMQSJYQKOGIEGG-CABCVRRESA-N 0 3 313.445 3.121 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2ncc(C)s2)C1 ZINC001135427263 1094534809 /nfs/dbraw/zinc/53/48/09/1094534809.db2.gz OSJDPRXWFITEQY-OLZOCXBDSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCCC(=O)NCC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001103382601 1094601297 /nfs/dbraw/zinc/60/12/97/1094601297.db2.gz OBVQIRFVTJKAOI-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCCC1CC1)C2 ZINC001121596532 1094723275 /nfs/dbraw/zinc/72/32/75/1094723275.db2.gz JIHQFXBJOGLCDM-UHFFFAOYSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1(CC)CCC1)C2 ZINC001121608891 1094726570 /nfs/dbraw/zinc/72/65/70/1094726570.db2.gz ABXXBLFLOQPALV-UHFFFAOYSA-N 0 3 310.869 3.336 20 30 DGEDHN CC1(C)C[C@@H](NC[C@@H](O)CC2(C#N)CC2)c2cc(F)ccc2O1 ZINC001336834745 1094754226 /nfs/dbraw/zinc/75/42/26/1094754226.db2.gz VDOUSEXBUWHQQK-DZGCQCFKSA-N 0 3 318.392 3.072 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)C(C)(C)C)NCc1cc(F)ccc1C#N ZINC001135983999 1094777294 /nfs/dbraw/zinc/77/72/94/1094777294.db2.gz SYYNCZVKHHBIGN-STQMWFEESA-N 0 3 319.424 3.116 20 30 DGEDHN Cc1nc(O[C@H]2CNCc3ccccc32)c(C#N)c(C)c1Cl ZINC001218489562 1094818625 /nfs/dbraw/zinc/81/86/25/1094818625.db2.gz TUCZRPHPBBUBRT-HNNXBMFYSA-N 0 3 313.788 3.447 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC001121947597 1094839295 /nfs/dbraw/zinc/83/92/95/1094839295.db2.gz POMMPRKASDKHSO-NEPJUHHUSA-N 0 3 303.431 3.157 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cnc2cccc(C)n12 ZINC001218736562 1094859810 /nfs/dbraw/zinc/85/98/10/1094859810.db2.gz JIGVGOOEHMSSMT-AWEZNQCLSA-N 0 3 300.406 3.045 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccnc1NC(C)=O ZINC001122033794 1094876600 /nfs/dbraw/zinc/87/66/00/1094876600.db2.gz NXQNOMKCRBKXQR-AWEZNQCLSA-N 0 3 320.437 3.056 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](CC)CCCC)[C@@H](O)C1 ZINC001219240277 1094953992 /nfs/dbraw/zinc/95/39/92/1094953992.db2.gz HMCAPCLKCZHXGK-KURKYZTESA-N 0 3 324.509 3.111 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001086829209 1094954188 /nfs/dbraw/zinc/95/41/88/1094954188.db2.gz MIDNCAWVJGWIBK-GXTWGEPZSA-N 0 3 312.866 3.297 20 30 DGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111764886 1094958844 /nfs/dbraw/zinc/95/88/44/1094958844.db2.gz HQXRFVYAVACJOZ-ZFWWWQNUSA-N 0 3 318.383 3.266 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCCN1CC(C)C ZINC001337408411 1094963926 /nfs/dbraw/zinc/96/39/26/1094963926.db2.gz DFIYAJDPELIWFH-MRXNPFEDSA-N 0 3 303.381 3.065 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001111880351 1094996864 /nfs/dbraw/zinc/99/68/64/1094996864.db2.gz WEIRGRNSPWXFHY-UWVAXJGDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(CC)[C@@H](C)CC ZINC001122601475 1095016068 /nfs/dbraw/zinc/01/60/68/1095016068.db2.gz HIMGAAIQTROMSO-JKSUJKDBSA-N 0 3 319.497 3.288 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112108784 1095034687 /nfs/dbraw/zinc/03/46/87/1095034687.db2.gz NUQAGHVNGXABRC-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@](C)(F)CCCC)C[C@H]1C(F)(F)F ZINC001112124277 1095036091 /nfs/dbraw/zinc/03/60/91/1095036091.db2.gz DJULXSJOJCXFLE-YRGRVCCFSA-N 0 3 324.362 3.070 20 30 DGEDHN CC(C)n1ncc2cc(C(=O)C(C#N)c3cccc(F)n3)cnc21 ZINC001122713675 1095041328 /nfs/dbraw/zinc/04/13/28/1095041328.db2.gz CNXZMESBRLUAIY-CYBMUJFWSA-N 0 3 323.331 3.036 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001086845078 1095042021 /nfs/dbraw/zinc/04/20/21/1095042021.db2.gz JTGSHYIPMLQTFS-ZNMIVQPWSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220132573 1095057604 /nfs/dbraw/zinc/05/76/04/1095057604.db2.gz NRRLWVRXLUBLLI-KSZLIROESA-N 0 3 324.509 3.111 20 30 DGEDHN COC(=O)c1ccc(C(=N)Nc2cccc(C3=NCCC3)c2)cc1 ZINC001170989135 1095086535 /nfs/dbraw/zinc/08/65/35/1095086535.db2.gz KQSOLUPEYAGOPY-UHFFFAOYSA-N 0 3 321.380 3.093 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@](C)(CC)CCC)[C@@H](O)C1 ZINC001220623492 1095125931 /nfs/dbraw/zinc/12/59/31/1095125931.db2.gz MTWVJLVMSLSGOZ-ZIFCJYIRSA-N 0 3 324.509 3.111 20 30 DGEDHN CC[C@H](CC#N)NC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220898189 1095171142 /nfs/dbraw/zinc/17/11/42/1095171142.db2.gz ARANQIKUKCYDFR-ZWNOBZJWSA-N 0 3 314.216 3.192 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ncccc2C)CCCCC1 ZINC001115442787 1095222790 /nfs/dbraw/zinc/22/27/90/1095222790.db2.gz QSJFRQFGWBCWDT-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN C#CC1(NC(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)CCCCC1 ZINC001221275555 1095228112 /nfs/dbraw/zinc/22/81/12/1095228112.db2.gz DWYMQEOFXVJUFE-ZWKOTPCHSA-N 0 3 310.441 3.322 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](CC)SC)CCCCC1 ZINC001115483990 1095244959 /nfs/dbraw/zinc/24/49/59/1095244959.db2.gz CRLLGCZDWFUWSJ-ZDUSSCGKSA-N 0 3 318.914 3.289 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)n2cccc2)CCCCC1 ZINC001115483986 1095246007 /nfs/dbraw/zinc/24/60/07/1095246007.db2.gz CQLFIDOEKPYMMV-OAHLLOKOSA-N 0 3 323.868 3.210 20 30 DGEDHN C=CC[C@@H](NC(=O)c1cc2c(s1)CNCC2)c1ccccc1 ZINC001221360480 1095250397 /nfs/dbraw/zinc/25/03/97/1095250397.db2.gz KGWQNCJBPJOVIM-OAHLLOKOSA-N 0 3 312.438 3.441 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539439 1095299392 /nfs/dbraw/zinc/29/93/92/1095299392.db2.gz ZJIXRHVSNFXDFL-QXAKKESOSA-N 0 3 324.468 3.330 20 30 DGEDHN COc1ccc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cn1 ZINC001137036373 1095302499 /nfs/dbraw/zinc/30/24/99/1095302499.db2.gz HZAXSCYPTRJMCV-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221571895 1095304627 /nfs/dbraw/zinc/30/46/27/1095304627.db2.gz FALZUQCCJDMAGL-QZTJIDSGSA-N 0 3 302.462 3.254 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCC[C@H](C)CCC)[C@@H]2C1 ZINC001221577873 1095304875 /nfs/dbraw/zinc/30/48/75/1095304875.db2.gz KBYOYBQMAUWCIG-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)CC(F)F)CCCCC1 ZINC001115631629 1095309815 /nfs/dbraw/zinc/30/98/15/1095309815.db2.gz LQYDQJQDAXXWCC-NSHDSACASA-N 0 3 322.827 3.439 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3ccsn3)[C@@H]2C1 ZINC001221638397 1095317858 /nfs/dbraw/zinc/31/78/58/1095317858.db2.gz NSEIDOMQVFBVQP-GDBMZVCRSA-N 0 3 321.490 3.260 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221740220 1095337928 /nfs/dbraw/zinc/33/79/28/1095337928.db2.gz OPZWKWAZXSMHGN-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCCCCF)C[C@H]32)C1 ZINC001221802810 1095360139 /nfs/dbraw/zinc/36/01/39/1095360139.db2.gz USAJKILYBWYXBQ-HZPDHXFCSA-N 0 3 308.441 3.015 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CC[C@@H](C)F)C[C@H]32)CCC1 ZINC001221797907 1095360456 /nfs/dbraw/zinc/36/04/56/1095360456.db2.gz MQARZWKZZBGARI-BZUAXINKSA-N 0 3 308.441 3.014 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221839320 1095371433 /nfs/dbraw/zinc/37/14/33/1095371433.db2.gz LWODEXBDMHNONM-HZPDHXFCSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001221850477 1095376092 /nfs/dbraw/zinc/37/60/92/1095376092.db2.gz OMPXOGNTJFQSMI-DFQSSKMNSA-N 0 3 324.468 3.126 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3oncc3C)[C@@H]2C1 ZINC001221912793 1095385820 /nfs/dbraw/zinc/38/58/20/1095385820.db2.gz RLMKJJANFXMRIS-HZPDHXFCSA-N 0 3 319.449 3.100 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCn2cccc2)CCCCC1 ZINC001115788439 1095388062 /nfs/dbraw/zinc/38/80/62/1095388062.db2.gz GFWQGTHBNUOIGI-UHFFFAOYSA-N 0 3 323.868 3.039 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](CC)c3ccccc3)[C@@H]2C1 ZINC001221942280 1095394947 /nfs/dbraw/zinc/39/49/47/1095394947.db2.gz GDSQDQAKQRQJBN-MISYRCLQSA-N 0 3 324.468 3.126 20 30 DGEDHN CN(C(=O)CN1CC[C@H]2CCCC[C@H]2C1)C1(C#N)CCCCC1 ZINC001115816812 1095401194 /nfs/dbraw/zinc/40/11/94/1095401194.db2.gz FKTBQFJONYVTDA-SJORKVTESA-N 0 3 317.477 3.183 20 30 DGEDHN CN(C(=O)CN1CC[C@H]2CCCC[C@@H]2C1)C1(C#N)CCCCC1 ZINC001115816810 1095401739 /nfs/dbraw/zinc/40/17/39/1095401739.db2.gz FKTBQFJONYVTDA-IAGOWNOFSA-N 0 3 317.477 3.183 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OC(F)(F)F)c2)C1 ZINC001143878235 1095419140 /nfs/dbraw/zinc/41/91/40/1095419140.db2.gz APNFPXZQCPZOPV-GFCCVEGCSA-N 0 3 313.319 3.439 20 30 DGEDHN COC(=O)CCCN1CCC(N=Nc2ccccc2Cl)CC1 ZINC001115960542 1095424735 /nfs/dbraw/zinc/42/47/35/1095424735.db2.gz VJLQHOQZEJNEGU-UHFFFAOYSA-N 0 3 323.824 3.157 20 30 DGEDHN C#CC1CCN(Cc2cc(OC(F)(F)F)ccc2OC)CC1 ZINC001144009112 1095466469 /nfs/dbraw/zinc/46/64/69/1095466469.db2.gz LVOBVJAGCXXIDG-UHFFFAOYSA-N 0 3 313.319 3.439 20 30 DGEDHN CCCC[C@H](CC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001123935617 1095488092 /nfs/dbraw/zinc/48/80/92/1095488092.db2.gz HNYHMQOIQQTMJH-HNNXBMFYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC001144213433 1095561306 /nfs/dbraw/zinc/56/13/06/1095561306.db2.gz PLQZQXRUBGNVTM-AWEZNQCLSA-N 0 3 312.335 3.058 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CCN(Cc3csc(C)c3)[C@H]2C1 ZINC001222431986 1095611280 /nfs/dbraw/zinc/61/12/80/1095611280.db2.gz BPXIDFQJJPYFGJ-SJORKVTESA-N 0 3 318.486 3.446 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001091123737 1095677310 /nfs/dbraw/zinc/67/73/10/1095677310.db2.gz FHOVRZMPYAXNRC-UHFFFAOYSA-N 0 3 321.852 3.056 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(OC2CCC2)ncn1 ZINC001171198568 1095711257 /nfs/dbraw/zinc/71/12/57/1095711257.db2.gz NCGKZRMDLWZHKU-CQSZACIVSA-N 0 3 322.412 3.000 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](Oc3cccc(C)n3)C2)cc1 ZINC001144581302 1095718220 /nfs/dbraw/zinc/71/82/20/1095718220.db2.gz OZYNGKQMGNFVDL-IBGZPJMESA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001144573886 1095723572 /nfs/dbraw/zinc/72/35/72/1095723572.db2.gz SBRDQINKJSESON-SFHVURJKSA-N 0 3 304.437 3.374 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CCN(C[C@H](F)CC)[C@H]2C1 ZINC001222752158 1095741094 /nfs/dbraw/zinc/74/10/94/1095741094.db2.gz VFFAFSVKDZFBOG-NXHRZFHOSA-N 0 3 322.468 3.426 20 30 DGEDHN N#CCOc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC001117319267 1095759411 /nfs/dbraw/zinc/75/94/11/1095759411.db2.gz OFUHFUHWGNYOGZ-HNNXBMFYSA-N 0 3 313.788 3.414 20 30 DGEDHN Cc1nc([C@@H]2CCCN([C@H](C)Cc3cccc(C#N)c3)C2)no1 ZINC001171208538 1095764766 /nfs/dbraw/zinc/76/47/66/1095764766.db2.gz DBROROLVGYWHDH-CXAGYDPISA-N 0 3 310.401 3.060 20 30 DGEDHN Cc1nc([C@H]2CCCN([C@@H](C)Cc3cccc(C#N)c3)C2)no1 ZINC001171208541 1095767898 /nfs/dbraw/zinc/76/78/98/1095767898.db2.gz DBROROLVGYWHDH-GUYCJALGSA-N 0 3 310.401 3.060 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC001144721652 1095788667 /nfs/dbraw/zinc/78/86/67/1095788667.db2.gz XGYQHVDIHSQKLQ-INIZCTEOSA-N 0 3 313.401 3.045 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3occc3s2)C1 ZINC001091227147 1095838738 /nfs/dbraw/zinc/83/87/38/1095838738.db2.gz BQYIYOYNQNBVRM-UHFFFAOYSA-N 0 3 324.833 3.345 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001091320381 1095903567 /nfs/dbraw/zinc/90/35/67/1095903567.db2.gz JQGHHCLTXHSACN-UHFFFAOYSA-N 0 3 310.825 3.001 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001091323436 1095904928 /nfs/dbraw/zinc/90/49/28/1095904928.db2.gz FXCBBRBSWZAFLA-UHFFFAOYSA-N 0 3 324.877 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001276874615 1095910344 /nfs/dbraw/zinc/91/03/44/1095910344.db2.gz FGVXOVIRNPJRTE-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001223311872 1095933550 /nfs/dbraw/zinc/93/35/50/1095933550.db2.gz NPFHNFDKCCMCOF-AWEZNQCLSA-N 0 3 318.864 3.341 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC001340382595 1095944037 /nfs/dbraw/zinc/94/40/37/1095944037.db2.gz NDARYCGFPCNOTR-LLVKDONJSA-N 0 3 316.323 3.092 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC001340426814 1095951268 /nfs/dbraw/zinc/95/12/68/1095951268.db2.gz BEWNBCLNTUZJJQ-HUUCEWRRSA-N 0 3 306.454 3.151 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)CCC=C(C)C)C[C@@H]21 ZINC001223549495 1095997517 /nfs/dbraw/zinc/99/75/17/1095997517.db2.gz MNMHJECDTTWZKF-OTWHNJEPSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC001340715836 1096015239 /nfs/dbraw/zinc/01/52/39/1096015239.db2.gz DRWRTBZNCHNONP-XOKHGSTOSA-N 0 3 304.409 3.419 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2c(F)cccc2F)CCC1 ZINC001340735067 1096019531 /nfs/dbraw/zinc/01/95/31/1096019531.db2.gz KHPSLCNVCROTSI-CQSZACIVSA-N 0 3 308.372 3.144 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(c2ccon2)CC1 ZINC001340766429 1096026981 /nfs/dbraw/zinc/02/69/81/1096026981.db2.gz CWPHCBWFIAEDRR-INIZCTEOSA-N 0 3 321.465 3.459 20 30 DGEDHN CC(C)(C)OC(=O)N(CCCN1CCC(C)(C#N)CC1)C1CC1 ZINC001340781582 1096031589 /nfs/dbraw/zinc/03/15/89/1096031589.db2.gz FEMLKMATUYRYSR-UHFFFAOYSA-N 0 3 321.465 3.402 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)CCCCCC)CC1 ZINC001224051377 1096123698 /nfs/dbraw/zinc/12/36/98/1096123698.db2.gz UFRGLJFLWGAGNS-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001341193882 1096131400 /nfs/dbraw/zinc/13/14/00/1096131400.db2.gz WOHCXPFKKJYPPI-QJPGBWLHSA-N 0 3 311.429 3.102 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224165794 1096149845 /nfs/dbraw/zinc/14/98/45/1096149845.db2.gz SXRPDJSQFFWGJK-CHWSQXEVSA-N 0 3 320.399 3.225 20 30 DGEDHN CN(C)/C=N/c1ccc(N[C@@H]2COCc3ccccc32)cc1C#N ZINC001171295922 1096160597 /nfs/dbraw/zinc/16/05/97/1096160597.db2.gz RPGJNTKHNJOIRF-DBRLUCFCSA-N 0 3 320.396 3.463 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](CCCC)C(C)C)C[C@@H]21 ZINC001224257449 1096173952 /nfs/dbraw/zinc/17/39/52/1096173952.db2.gz WTVLFHPOFOAWFM-QRVBRYPASA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(CCCCC(F)(F)F)C2 ZINC001147165091 1096177294 /nfs/dbraw/zinc/17/72/94/1096177294.db2.gz ACGZYKBWSQCAOF-UHFFFAOYSA-N 0 3 318.383 3.220 20 30 DGEDHN C=CCCC1(C(=O)NCC2CCN(C[C@H](F)CC)CC2)CC1 ZINC001224394224 1096201365 /nfs/dbraw/zinc/20/13/65/1096201365.db2.gz ZOSNNGPXMOMRBX-MRXNPFEDSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCC1(C(=O)NCC2CCN(C[C@@H](F)CC)CC2)CCC1 ZINC001224402320 1096201679 /nfs/dbraw/zinc/20/16/79/1096201679.db2.gz FBNYNGRBHXVDFM-INIZCTEOSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001224871944 1096304617 /nfs/dbraw/zinc/30/46/17/1096304617.db2.gz DJJDBNGYBDYVTK-AEFFLSMTSA-N 0 3 318.505 3.300 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC001225110140 1096350241 /nfs/dbraw/zinc/35/02/41/1096350241.db2.gz PIEVJAUZXNLALB-SFHVURJKSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCOc1ccc(C(=O)NCCc2cnc3cc[nH]cc2-3)cc1 ZINC001148467943 1096373054 /nfs/dbraw/zinc/37/30/54/1096373054.db2.gz HFXQGRRLEBAVMA-UHFFFAOYSA-N 0 3 321.380 3.100 20 30 DGEDHN C=CCOc1ccc(C(=O)NCCc2c[nH]c3ccncc23)cc1 ZINC001148467943 1096373065 /nfs/dbraw/zinc/37/30/65/1096373065.db2.gz HFXQGRRLEBAVMA-UHFFFAOYSA-N 0 3 321.380 3.100 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)nsc1C ZINC001225276023 1096381849 /nfs/dbraw/zinc/38/18/49/1096381849.db2.gz YXROIBAVNIDFEA-HZPDHXFCSA-N 0 3 321.490 3.243 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCC2CCCCC2)CC1 ZINC001225327171 1096397456 /nfs/dbraw/zinc/39/74/56/1096397456.db2.gz OFBIAUDHERMMEF-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCC3CCCCC3)C2)C1 ZINC001148720343 1096428184 /nfs/dbraw/zinc/42/81/84/1096428184.db2.gz BAYWGOJGRUUNDG-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCC1(C(=O)N2CC3(C2)CCN(CC#CC)C3)CCCCC1 ZINC001148812301 1096451594 /nfs/dbraw/zinc/45/15/94/1096451594.db2.gz PLJAHEAAQQAYCD-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN CCCCCCCCCC(=O)NCCNCc1cccnc1 ZINC001148820116 1096453481 /nfs/dbraw/zinc/45/34/81/1096453481.db2.gz CWFGRSGZMIQDEN-UHFFFAOYSA-N 0 3 305.466 3.428 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001225534977 1096460334 /nfs/dbraw/zinc/46/03/34/1096460334.db2.gz QMTCKMPAMXMTKS-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3C=CCCC3)C2)CC1 ZINC001086928975 1096519858 /nfs/dbraw/zinc/51/98/58/1096519858.db2.gz TVXFDHBVPDXTOS-ROUUACIJSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cc(C)ccc3C)C2)CC1 ZINC001086954256 1096521721 /nfs/dbraw/zinc/52/17/21/1096521721.db2.gz GOCIRIWCKGFUSJ-SFHVURJKSA-N 0 3 324.468 3.253 20 30 DGEDHN CCN1CCC[C@H](Oc2ccc(Br)cc2C#N)C1 ZINC001225836523 1096542045 /nfs/dbraw/zinc/54/20/45/1096542045.db2.gz DASDEPZEPHMFBW-ZDUSSCGKSA-N 0 3 309.207 3.184 20 30 DGEDHN COc1cccc(CC#N)c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001225842297 1096543310 /nfs/dbraw/zinc/54/33/10/1096543310.db2.gz AYWTWBLQSDHQHM-SFHVURJKSA-N 0 3 322.408 3.415 20 30 DGEDHN Cc1cc(C)c(C#N)c(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC001226088155 1096609500 /nfs/dbraw/zinc/60/95/00/1096609500.db2.gz MFUDXFSOQOZKRN-KXBFYZLASA-N 0 3 321.424 3.469 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCCCC1)C2 ZINC001110138382 1096641787 /nfs/dbraw/zinc/64/17/87/1096641787.db2.gz PNHUQIPVNXLWAG-IKGGRYGDSA-N 0 3 302.462 3.092 20 30 DGEDHN Cc1c(C#N)c(OC2CCN(C3CC3)CC2)nc2ccccc12 ZINC001226444289 1096690505 /nfs/dbraw/zinc/69/05/05/1096690505.db2.gz IFJXOLWSVUYYDM-UHFFFAOYSA-N 0 3 307.397 3.421 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@@H]2CCc3c2cccc3F)CC1 ZINC001226518320 1096711486 /nfs/dbraw/zinc/71/14/86/1096711486.db2.gz GGLOIFXQABGJGX-GOSISDBHSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCCC(=O)NC1CCN(CCCCC(F)(F)F)CC1 ZINC001226528380 1096714689 /nfs/dbraw/zinc/71/46/89/1096714689.db2.gz YCBWISYSYQEZRU-UHFFFAOYSA-N 0 3 306.372 3.266 20 30 DGEDHN C=CCCCCCCN1CC2(C1)SCC[C@H]2C(=O)N(C)C ZINC001277159641 1096792507 /nfs/dbraw/zinc/79/25/07/1096792507.db2.gz LKAXDZAPWJJRAT-HNNXBMFYSA-N 0 3 310.507 3.019 20 30 DGEDHN C#CCCCC(=O)NC1CCN(CCCCC(F)(F)F)CC1 ZINC001227084734 1096864143 /nfs/dbraw/zinc/86/41/43/1096864143.db2.gz HLEOHRSIYFUODP-UHFFFAOYSA-N 0 3 318.383 3.103 20 30 DGEDHN CCCCCCCN1CC2(C[C@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001277224841 1096957012 /nfs/dbraw/zinc/95/70/12/1096957012.db2.gz DWHIPHBOMYNPRN-INIZCTEOSA-N 0 3 322.468 3.239 20 30 DGEDHN CC1(CC(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CC1 ZINC001227603450 1096958682 /nfs/dbraw/zinc/95/86/82/1096958682.db2.gz QSAYINUSVFTHAM-RTBURBONSA-N 0 3 324.468 3.245 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCCCC2)C1 ZINC001171798352 1096981291 /nfs/dbraw/zinc/98/12/91/1096981291.db2.gz CNSDDHFYOQPEBP-SZVBFZGTSA-N 0 3 319.493 3.332 20 30 DGEDHN C[C@@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172090233 1097041522 /nfs/dbraw/zinc/04/15/22/1097041522.db2.gz UILTUICYSVQMMK-ZQDZILKHSA-N 0 3 307.438 3.199 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001228130900 1097058360 /nfs/dbraw/zinc/05/83/60/1097058360.db2.gz SPLIXRVLEQSMSQ-DJIMGWMZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228130679 1097058535 /nfs/dbraw/zinc/05/85/35/1097058535.db2.gz RWWJWVCZRUMRRN-FVQBIDKESA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Br)CNCCC[C@H](C)NC(=O)C(C)(C)CC ZINC001277279914 1097074407 /nfs/dbraw/zinc/07/44/07/1097074407.db2.gz KTMLKKCNUATJLJ-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001228269137 1097085414 /nfs/dbraw/zinc/08/54/14/1097085414.db2.gz AVFYDXDTBFQJKX-IAGOWNOFSA-N 0 3 319.424 3.094 20 30 DGEDHN Cc1ccnc(O[C@@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC001228305252 1097093658 /nfs/dbraw/zinc/09/36/58/1097093658.db2.gz QBGIVXQPARXWBV-QGZVFWFLSA-N 0 3 307.397 3.305 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCc2cc3c(cc2C1)OCO3 ZINC001172316298 1097099386 /nfs/dbraw/zinc/09/93/86/1097099386.db2.gz RIXZZEVPXNYHQH-CQSZACIVSA-N 0 3 320.392 3.276 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(CC(F)(F)F)cn1 ZINC001172298901 1097109765 /nfs/dbraw/zinc/10/97/65/1097109765.db2.gz GPZWBNOACCRXSP-GFCCVEGCSA-N 0 3 322.334 3.038 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC001277321951 1097165158 /nfs/dbraw/zinc/16/51/58/1097165158.db2.gz HWXQZQIJIUNWOL-AWEZNQCLSA-N 0 3 324.852 3.244 20 30 DGEDHN C[C@H](CCCC#N)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001172497881 1097171308 /nfs/dbraw/zinc/17/13/08/1097171308.db2.gz HFBMVHACXMEYHX-RBSFLKMASA-N 0 3 309.454 3.398 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001228828708 1097199235 /nfs/dbraw/zinc/19/92/35/1097199235.db2.gz JCDPQDIXQKRYCW-HZPDHXFCSA-N 0 3 319.449 3.102 20 30 DGEDHN COC(=O)C1(C#N)CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172730668 1097220500 /nfs/dbraw/zinc/22/05/00/1097220500.db2.gz MSFZRTBLCLVAEA-UHFFFAOYSA-N 0 3 304.434 3.268 20 30 DGEDHN N=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cn1 ZINC001172709564 1097228217 /nfs/dbraw/zinc/22/82/17/1097228217.db2.gz JLCKHRDEQDISQI-CYBMUJFWSA-N 0 3 306.196 3.261 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1ccccc1C ZINC001277355670 1097254628 /nfs/dbraw/zinc/25/46/28/1097254628.db2.gz LRBVDZXMEHGDAO-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN CCCN(CCC#N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915431 1097279299 /nfs/dbraw/zinc/27/92/99/1097279299.db2.gz MVXAROYHNUMVCE-MRXNPFEDSA-N 0 3 301.390 3.468 20 30 DGEDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC001172946018 1097290106 /nfs/dbraw/zinc/29/01/06/1097290106.db2.gz IDEHLIWXXUVWPT-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN N=C(NC1CCC2(CCOCC2)CC1)c1ccc(Cl)cn1 ZINC001173040879 1097309649 /nfs/dbraw/zinc/30/96/49/1097309649.db2.gz MPYXIEUEHBIETL-UHFFFAOYSA-N 0 3 307.825 3.180 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)CCCCCC)CC1 ZINC001229697339 1097366245 /nfs/dbraw/zinc/36/62/45/1097366245.db2.gz SZIPVJMCOLNJAN-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CC[C@H](CC)C1 ZINC001173276687 1097410060 /nfs/dbraw/zinc/41/00/60/1097410060.db2.gz DDWKKOITLKEJLJ-YQQAZPJKSA-N 0 3 303.450 3.101 20 30 DGEDHN N#CCC1CCC(N2CCN(Cc3ccccc3F)CC2)CC1 ZINC001173338705 1097422128 /nfs/dbraw/zinc/42/21/28/1097422128.db2.gz HRNMOYLIJBLPEF-UHFFFAOYSA-N 0 3 315.436 3.416 20 30 DGEDHN COc1ccccc1N1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173592217 1097466257 /nfs/dbraw/zinc/46/62/57/1097466257.db2.gz KPMQEWRSVKTOBV-UHFFFAOYSA-N 0 3 313.445 3.290 20 30 DGEDHN CC1(C#N)CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC001173595970 1097467310 /nfs/dbraw/zinc/46/73/10/1097467310.db2.gz DOGINDRLWLBMEC-UHFFFAOYSA-N 0 3 301.409 3.420 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C2(CC)CCCCC2)CC1 ZINC001230334507 1097478591 /nfs/dbraw/zinc/47/85/91/1097478591.db2.gz ZTOWPIHWMPSAIQ-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C[C@@H]1CC(NCC2(C#N)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173674820 1097487873 /nfs/dbraw/zinc/48/78/73/1097487873.db2.gz GFQTWZDJRTWGND-CHWSQXEVSA-N 0 3 307.438 3.056 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@H](C)C1CC1)Cc1cccnc1 ZINC001230723050 1097565199 /nfs/dbraw/zinc/56/51/99/1097565199.db2.gz ZCBWJXIVDCTESR-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CN(CCCNC(=O)CCC1CC1)Cc1cccnc1 ZINC001230721137 1097566138 /nfs/dbraw/zinc/56/61/38/1097566138.db2.gz YAFNRCPGTXFYNF-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230762597 1097577524 /nfs/dbraw/zinc/57/75/24/1097577524.db2.gz PBSGRPYVNJWDBH-INIZCTEOSA-N 0 3 304.434 3.481 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ncoc1C ZINC001230958108 1097631490 /nfs/dbraw/zinc/63/14/90/1097631490.db2.gz LWIYWCYSCNWBLQ-HNNXBMFYSA-N 0 3 307.438 3.100 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCC=C ZINC001231095510 1097668109 /nfs/dbraw/zinc/66/81/09/1097668109.db2.gz RAHGPIAYIKOHBA-QZTJIDSGSA-N 0 3 322.493 3.247 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1CC ZINC001231122651 1097674222 /nfs/dbraw/zinc/67/42/22/1097674222.db2.gz MJAKHLVKSALLMT-SFHVURJKSA-N 0 3 300.446 3.248 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC[C@@H]1CCCC1(F)F ZINC001231178398 1097690480 /nfs/dbraw/zinc/69/04/80/1097690480.db2.gz KQRYJBWHKCGNCD-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001277496477 1097695092 /nfs/dbraw/zinc/69/50/92/1097695092.db2.gz XLXDDUIGGXGKCH-YHYXMXQVSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231245920 1097701131 /nfs/dbraw/zinc/70/11/31/1097701131.db2.gz BXYWJWXVOQTXPO-CVEARBPZSA-N 0 3 312.523 3.265 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001231379715 1097734823 /nfs/dbraw/zinc/73/48/23/1097734823.db2.gz ZSOUPSZFULPOTI-GOSISDBHSA-N 0 3 315.461 3.283 20 30 DGEDHN COc1cc(CN2CCC(S)CC2)ccc1OC(=O)C(C)C ZINC001231530999 1097775546 /nfs/dbraw/zinc/77/55/46/1097775546.db2.gz GHNWMRGBCMGZNK-UHFFFAOYSA-N 0 3 323.458 3.151 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001277531251 1097777558 /nfs/dbraw/zinc/77/75/58/1097777558.db2.gz OGWHNODIPJXESG-MAUKXSAKSA-N 0 3 310.457 3.261 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001231658567 1097804665 /nfs/dbraw/zinc/80/46/65/1097804665.db2.gz ZENPGZMJEUXIAQ-CJNGLKHVSA-N 0 3 311.347 3.193 20 30 DGEDHN C#Cc1cccc(CN(CCOC(C)C)CCOC(C)C)c1 ZINC001231659993 1097807336 /nfs/dbraw/zinc/80/73/36/1097807336.db2.gz YMRHVYFAJPQRJW-UHFFFAOYSA-N 0 3 303.446 3.320 20 30 DGEDHN CN(CCC#N)c1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001231820999 1097854191 /nfs/dbraw/zinc/85/41/91/1097854191.db2.gz MEVSXJLCHCOZNK-UHFFFAOYSA-N 0 3 321.424 3.300 20 30 DGEDHN CN(CCC#N)c1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001231820999 1097854199 /nfs/dbraw/zinc/85/41/99/1097854199.db2.gz MEVSXJLCHCOZNK-UHFFFAOYSA-N 0 3 321.424 3.300 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001174848844 1097867151 /nfs/dbraw/zinc/86/71/51/1097867151.db2.gz IPOAMPWHFGXCEE-GJZGRUSLSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)nc1C)C2 ZINC001232083886 1097934267 /nfs/dbraw/zinc/93/42/67/1097934267.db2.gz KHOMMBMTXGOIAM-MOPGFXCFSA-N 0 3 316.445 3.025 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCCNCc2cc(C)no2)C1 ZINC001175150436 1097946390 /nfs/dbraw/zinc/94/63/90/1097946390.db2.gz NUOMIUNCFIQDHA-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCCNCc2ocnc2C)C1 ZINC001175160474 1097951862 /nfs/dbraw/zinc/95/18/62/1097951862.db2.gz ZPXLDIRXQGXWOM-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN CC/C=C(\C)C(=O)N(C)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001277621639 1097954241 /nfs/dbraw/zinc/95/42/41/1097954241.db2.gz DIPXXQJYNGNIMH-HIOHBZOZSA-N 0 3 324.468 3.221 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H](C)C1CCCCC1 ZINC001175229410 1097981209 /nfs/dbraw/zinc/98/12/09/1097981209.db2.gz NZFIXNVKNAYRCA-HZPDHXFCSA-N 0 3 307.482 3.143 20 30 DGEDHN C=C(C)CN(CC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232406375 1098029788 /nfs/dbraw/zinc/02/97/88/1098029788.db2.gz VMWRLLYEZFNBFD-UHFFFAOYSA-N 0 3 300.402 3.363 20 30 DGEDHN N#Cc1ccc([O-])c(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232679740 1098113719 /nfs/dbraw/zinc/11/37/19/1098113719.db2.gz RIBGEKBVHGAVBT-GOSISDBHSA-N 0 3 313.445 3.104 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3cc(F)cc(C#N)c3)c2)CC1 ZINC001175685205 1098137615 /nfs/dbraw/zinc/13/76/15/1098137615.db2.gz SRFOTRUPVGMVAN-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2csc(CC)n2)C[C@@H]1C ZINC001277720664 1098145733 /nfs/dbraw/zinc/14/57/33/1098145733.db2.gz BEJLEJZTZBPZFH-UONOGXRCSA-N 0 3 321.490 3.141 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)s1 ZINC001232846591 1098151712 /nfs/dbraw/zinc/15/17/12/1098151712.db2.gz LNEOPDFBTLGZDS-HOTGVXAUSA-N 0 3 307.438 3.018 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(C)cc(O)c1)C2 ZINC001232881885 1098160805 /nfs/dbraw/zinc/16/08/05/1098160805.db2.gz QGJBMPLJYFYAAI-OALUTQOASA-N 0 3 317.429 3.027 20 30 DGEDHN CCCCCCN1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC001232891288 1098165926 /nfs/dbraw/zinc/16/59/26/1098165926.db2.gz BBQONEAIBFRAMF-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001232892520 1098166081 /nfs/dbraw/zinc/16/60/81/1098166081.db2.gz NUFQOMBMMKAXIR-ROUUACIJSA-N 0 3 319.399 3.096 20 30 DGEDHN CN(C)c1ccc(CN(C)CC2CC(F)(F)C2)c(F)c1C#N ZINC001233101967 1098227263 /nfs/dbraw/zinc/22/72/63/1098227263.db2.gz LRSWQARQMWXCQP-UHFFFAOYSA-N 0 3 311.351 3.240 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cc(C)ns1)C2 ZINC001233310605 1098281962 /nfs/dbraw/zinc/28/19/62/1098281962.db2.gz NZGXYSYIZNZYFZ-IAGOWNOFSA-N 0 3 322.474 3.025 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1sncc1C)C2 ZINC001233319717 1098287074 /nfs/dbraw/zinc/28/70/74/1098287074.db2.gz ZHHFXRHZGYYBGG-IRXDYDNUSA-N 0 3 322.474 3.025 20 30 DGEDHN CCc1cc(C)c(C#N)c(O[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001233553750 1098374465 /nfs/dbraw/zinc/37/44/65/1098374465.db2.gz NLBUZOYHVLBYMM-SFHVURJKSA-N 0 3 321.424 3.477 20 30 DGEDHN CCc1cc(C)c(C#N)c(O[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001233553747 1098374953 /nfs/dbraw/zinc/37/49/53/1098374953.db2.gz NLBUZOYHVLBYMM-GOSISDBHSA-N 0 3 321.424 3.477 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001176567036 1098388939 /nfs/dbraw/zinc/38/89/39/1098388939.db2.gz WUKMRFUPMKPKBJ-LBPRGKRZSA-N 0 3 315.244 3.292 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233610188 1098389774 /nfs/dbraw/zinc/38/97/74/1098389774.db2.gz FIFRAGITJWPGBK-GOEBONIOSA-N 0 3 304.434 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1 ZINC001233610461 1098389903 /nfs/dbraw/zinc/38/99/03/1098389903.db2.gz IKOQNWCRSXYDQQ-QGZVFWFLSA-N 0 3 305.466 3.142 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233695940 1098410867 /nfs/dbraw/zinc/41/08/67/1098410867.db2.gz URAYCFVOIRFARK-ROUUACIJSA-N 0 3 317.477 3.328 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCc1cc(C)ccc1C ZINC001176713167 1098424242 /nfs/dbraw/zinc/42/42/42/1098424242.db2.gz NVXIJCGUGWLBPX-UHFFFAOYSA-N 0 3 322.880 3.475 20 30 DGEDHN N#C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233761112 1098424948 /nfs/dbraw/zinc/42/49/48/1098424948.db2.gz PXPCOCUZYZCXAU-NSHDSACASA-N 0 3 314.307 3.416 20 30 DGEDHN N#C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233761112 1098424949 /nfs/dbraw/zinc/42/49/49/1098424949.db2.gz PXPCOCUZYZCXAU-NSHDSACASA-N 0 3 314.307 3.416 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCOCC1 ZINC001233926588 1098459569 /nfs/dbraw/zinc/45/95/69/1098459569.db2.gz OZMJYQIUPGZXGQ-ZWKOTPCHSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCOCC1 ZINC001233937090 1098461938 /nfs/dbraw/zinc/46/19/38/1098461938.db2.gz LDTSJKWGFYIAFO-ROUUACIJSA-N 0 3 324.509 3.306 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1CCC(O)CC1 ZINC001234003191 1098475084 /nfs/dbraw/zinc/47/50/84/1098475084.db2.gz OSGARCKIUWKERR-LXPRWKDFSA-N 0 3 324.509 3.041 20 30 DGEDHN CN(C[C@H]1CCN1CCC1CCCC1)C(=O)C#CC(C)(C)C ZINC001234215825 1098516493 /nfs/dbraw/zinc/51/64/93/1098516493.db2.gz POXLIAJPAJXTME-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN CN(C[C@@H]1CCN1CCCC(C)(C)C)C(=O)C#CC(C)(C)C ZINC001234216534 1098516757 /nfs/dbraw/zinc/51/67/57/1098516757.db2.gz YVPJLNLBMGMMIS-INIZCTEOSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCCCC ZINC001234277200 1098527207 /nfs/dbraw/zinc/52/72/07/1098527207.db2.gz XHVSZYGMIKSPIM-ROUUACIJSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCCCC ZINC001234277279 1098527302 /nfs/dbraw/zinc/52/73/02/1098527302.db2.gz YPGKIFJPORZYRO-ROUUACIJSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)OC1CCCCC1 ZINC001234297221 1098530681 /nfs/dbraw/zinc/53/06/81/1098530681.db2.gz RSNLNFDMYNQCIV-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234345072 1098540562 /nfs/dbraw/zinc/54/05/62/1098540562.db2.gz GTAMQCGIHKDYIH-QZTJIDSGSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234356496 1098542805 /nfs/dbraw/zinc/54/28/05/1098542805.db2.gz LDCSTYJDQBIZHT-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001234624915 1098623253 /nfs/dbraw/zinc/62/32/53/1098623253.db2.gz IAAWPEJIPXDQTQ-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN Cc1nc2ccccn2c1NC(=O)C(C#N)Cc1cccs1 ZINC001177904636 1098643694 /nfs/dbraw/zinc/64/36/94/1098643694.db2.gz QTNFEGHCFSXBJN-LBPRGKRZSA-N 0 3 310.382 3.025 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1ccc(C(F)F)cn1 ZINC001177909062 1098644763 /nfs/dbraw/zinc/64/47/63/1098644763.db2.gz QJQMGONMPORQKV-JTQLQIEISA-N 0 3 307.325 3.402 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CCc1ccc(C(C)C)cc1 ZINC001277878986 1098651238 /nfs/dbraw/zinc/65/12/38/1098651238.db2.gz FXMGLNLXTRYPRS-QGZVFWFLSA-N 0 3 314.473 3.202 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001178007617 1098676643 /nfs/dbraw/zinc/67/66/43/1098676643.db2.gz ICLADOMOKKBWFF-UHFFFAOYSA-N 0 3 313.445 3.291 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001235106942 1098808710 /nfs/dbraw/zinc/80/87/10/1098808710.db2.gz STHFZWIIJUNCBW-CQSZACIVSA-N 0 3 323.387 3.132 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2cnccc2C)CC1 ZINC001277929753 1098911745 /nfs/dbraw/zinc/91/17/45/1098911745.db2.gz RFGMUIHPZHZCQV-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1conc1C(C)C ZINC001235243885 1098915573 /nfs/dbraw/zinc/91/55/73/1098915573.db2.gz JSAFMHFUFKDZLD-HUUCEWRRSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1conc1C(C)C ZINC001235243880 1098915713 /nfs/dbraw/zinc/91/57/13/1098915713.db2.gz JSAFMHFUFKDZLD-CABCVRRESA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235245713 1098918922 /nfs/dbraw/zinc/91/89/22/1098918922.db2.gz OQDBQSCRPYGBFM-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN Cc1ncsc1CN1CCC[C@]2(CCCN(CCC#N)C2)C1 ZINC001277938813 1098970837 /nfs/dbraw/zinc/97/08/37/1098970837.db2.gz FRMINIBDBHFYOP-KRWDZBQOSA-N 0 3 318.490 3.043 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001235375565 1098986349 /nfs/dbraw/zinc/98/63/49/1098986349.db2.gz LALSXJATJRVFBG-MRXNPFEDSA-N 0 3 303.450 3.011 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001235492272 1099063783 /nfs/dbraw/zinc/06/37/83/1099063783.db2.gz STWOCTPCZMAMCM-SQNIBIBYSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCC[C@H](CC)CN1C[C@H]2CN(CCCCC#N)C[C@@H](C1)O2 ZINC001277949362 1099066570 /nfs/dbraw/zinc/06/65/70/1099066570.db2.gz WGWWQKAJWJOFRI-GBESFXJTSA-N 0 3 321.509 3.282 20 30 DGEDHN N#CCc1ccccc1CN1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001235516826 1099072693 /nfs/dbraw/zinc/07/26/93/1099072693.db2.gz VGCQORXUNKJYKU-OALUTQOASA-N 0 3 302.377 3.165 20 30 DGEDHN CCOC(=O)C1(CC)CCN(Cc2ccccc2CC#N)CC1 ZINC001235525536 1099074164 /nfs/dbraw/zinc/07/41/64/1099074164.db2.gz NIJRWIWTJRVEQE-UHFFFAOYSA-N 0 3 314.429 3.308 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001179388448 1099089679 /nfs/dbraw/zinc/08/96/79/1099089679.db2.gz HDGUSSIVCWDGAF-LZWOXQAQSA-N 0 3 321.490 3.133 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1c(Cl)nc3ccccn31)C2 ZINC001179419478 1099099684 /nfs/dbraw/zinc/09/96/84/1099099684.db2.gz NCVPPSJUNRLJKD-OAHLLOKOSA-N 0 3 322.799 3.116 20 30 DGEDHN C=CCCCC(=O)NCCCCCCNCc1nccn1CC ZINC001179421191 1099101334 /nfs/dbraw/zinc/10/13/34/1099101334.db2.gz HSIAZMRTMLQSMF-UHFFFAOYSA-N 0 3 320.481 3.026 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001235682318 1099124316 /nfs/dbraw/zinc/12/43/16/1099124316.db2.gz CFIDOSNBJQPWEQ-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235787922 1099179196 /nfs/dbraw/zinc/17/91/96/1099179196.db2.gz HIPRSGUHOJHBOC-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCNC[C@@H]2Cc2ccccc2)c1[O-] ZINC001235856431 1099217594 /nfs/dbraw/zinc/21/75/94/1099217594.db2.gz TZJFZILCHJEWOZ-FQEVSTJZSA-N 0 3 322.452 3.137 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCNC[C@@H]2Cc2ccccc2)c1[O-] ZINC001235856431 1099217597 /nfs/dbraw/zinc/21/75/97/1099217597.db2.gz TZJFZILCHJEWOZ-FQEVSTJZSA-N 0 3 322.452 3.137 20 30 DGEDHN N#Cc1cc(Cl)cc(CN2CCN[C@@H](c3ccccc3)C2)c1 ZINC001235863770 1099225050 /nfs/dbraw/zinc/22/50/50/1099225050.db2.gz JCWQFQUVWMURIT-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN C#Cc1cccc(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)c1 ZINC001235933696 1099268462 /nfs/dbraw/zinc/26/84/62/1099268462.db2.gz GTOSVMFIHXUWLP-NHCUHLMSSA-N 0 3 322.427 3.370 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001180607586 1099473260 /nfs/dbraw/zinc/47/32/60/1099473260.db2.gz YFJIGKHYTINPDL-KRWDZBQOSA-N 0 3 300.446 3.039 20 30 DGEDHN COc1ccc(C#N)cc1-c1cc(OC2CCN(C)CC2)ccn1 ZINC001236537191 1099669539 /nfs/dbraw/zinc/66/95/39/1099669539.db2.gz ZYKSATCCLHFRMC-UHFFFAOYSA-N 0 3 323.396 3.102 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001273561413 1099763827 /nfs/dbraw/zinc/76/38/27/1099763827.db2.gz YOLKHKJLTSSJGX-UHFFFAOYSA-N 0 3 312.457 3.155 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C)c2ccccc12 ZINC001273565390 1099803044 /nfs/dbraw/zinc/80/30/44/1099803044.db2.gz FGSDCBRXOPKQSG-UHFFFAOYSA-N 0 3 308.425 3.175 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN3CC[C@H]2C3)c1 ZINC001189267822 1100011233 /nfs/dbraw/zinc/01/12/33/1100011233.db2.gz HGNXHONHCKICKO-KRWDZBQOSA-N 0 3 313.445 3.054 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001189317766 1100022085 /nfs/dbraw/zinc/02/20/85/1100022085.db2.gz DEJDUWCLJMIZPH-QGZVFWFLSA-N 0 3 304.409 3.133 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001278079988 1100061467 /nfs/dbraw/zinc/06/14/67/1100061467.db2.gz NREQWSSLJUKZHZ-KRWDZBQOSA-N 0 3 312.457 3.093 20 30 DGEDHN CCC[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189462687 1100065365 /nfs/dbraw/zinc/06/53/65/1100065365.db2.gz XTIAPVZSDGVEDH-YJBOKZPZSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001273584099 1100092085 /nfs/dbraw/zinc/09/20/85/1100092085.db2.gz KWZKMJURMATVPE-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN Cn1cc(CN2CC[C@H]3CCCO[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237467869 1100133918 /nfs/dbraw/zinc/13/39/18/1100133918.db2.gz IGCHQXQZYHQPIL-DNVCBOLYSA-N 0 3 309.413 3.051 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCc3sccc3C)[C@@H]2C1 ZINC001189969218 1100159369 /nfs/dbraw/zinc/15/93/69/1100159369.db2.gz DCNGOWOBURZNRX-JKSUJKDBSA-N 0 3 318.486 3.098 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190004407 1100184630 /nfs/dbraw/zinc/18/46/30/1100184630.db2.gz OLYODLOGFHHBJK-YJBOKZPZSA-N 0 3 316.420 3.079 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001190046507 1100191800 /nfs/dbraw/zinc/19/18/00/1100191800.db2.gz JFMCTFOUWPXMEM-QGZVFWFLSA-N 0 3 318.848 3.032 20 30 DGEDHN C#C[C@H]1CCCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237681697 1100211940 /nfs/dbraw/zinc/21/19/40/1100211940.db2.gz KOCSZQYMALGXPE-LBPRGKRZSA-N 0 3 308.219 3.308 20 30 DGEDHN C=CCC1(S(=O)(=O)Nc2cccc(CN3CCCC3)c2)CC1 ZINC001190805948 1100341372 /nfs/dbraw/zinc/34/13/72/1100341372.db2.gz YGOZYAZWJRUJNS-UHFFFAOYSA-N 0 3 320.458 3.133 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)C(C)C)C1CCN(CC=C(C)C)CC1 ZINC001278188256 1100361481 /nfs/dbraw/zinc/36/14/81/1100361481.db2.gz JZKWXPLJGMWEIV-KRWDZBQOSA-N 0 3 304.478 3.171 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N(C)Cc2ccc(OC)cc2)C1 ZINC001192073874 1100566755 /nfs/dbraw/zinc/56/67/55/1100566755.db2.gz YLIMCUMUSMKUCG-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN CCC1(C(=O)NCCNCc2ccc(C#N)s2)CCCCC1 ZINC001152053897 1100656211 /nfs/dbraw/zinc/65/62/11/1100656211.db2.gz IDHPXRJNISIJPF-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192989504 1100684985 /nfs/dbraw/zinc/68/49/85/1100684985.db2.gz XFBQNWXJCTVEGB-ROUUACIJSA-N 0 3 324.509 3.328 20 30 DGEDHN CC[C@@H]1CN(Cc2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC001193211811 1100717784 /nfs/dbraw/zinc/71/77/84/1100717784.db2.gz XZUSIBAVKKZNCJ-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@]23CCN([C@@H](C)CC)C3=O)cc1 ZINC001273671432 1100877556 /nfs/dbraw/zinc/87/75/56/1100877556.db2.gz GBJMKVAYDNJXBN-JXFKEZNVSA-N 0 3 310.441 3.033 20 30 DGEDHN N#Cc1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc1F ZINC001240157652 1100882204 /nfs/dbraw/zinc/88/22/04/1100882204.db2.gz VSUWUVIUPGYQTA-LJQANCHMSA-N 0 3 321.355 3.278 20 30 DGEDHN C=C[C@@H](C(=O)N1CC[C@H](N(C)CC=C(C)C)C1)c1ccccc1 ZINC001194183491 1100885868 /nfs/dbraw/zinc/88/58/68/1100885868.db2.gz QDAGZVNXFYMYEI-RBUKOAKNSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](N(C)CCOCC)C2)CCCCC1 ZINC001194200326 1100892537 /nfs/dbraw/zinc/89/25/37/1100892537.db2.gz KUAMGRBWVAASQH-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194367601 1100921240 /nfs/dbraw/zinc/92/12/40/1100921240.db2.gz IXDBRNHMQSCQJC-QZTJIDSGSA-N 0 3 324.509 3.184 20 30 DGEDHN C/C(=N\O)c1ccc(-c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001240304471 1100933035 /nfs/dbraw/zinc/93/30/35/1100933035.db2.gz BNULTQSPZMJAAZ-LTGZKZEYSA-N 0 3 323.440 3.299 20 30 DGEDHN N#Cc1ccncc1N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001194734616 1100993657 /nfs/dbraw/zinc/99/36/57/1100993657.db2.gz XALMCHSULGCPEM-UHFFFAOYSA-N 0 3 310.445 3.046 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc4cc[nH]c43)CC2)C1=O ZINC001273683002 1100995542 /nfs/dbraw/zinc/99/55/42/1100995542.db2.gz TXNNFBPTCWTORO-UHFFFAOYSA-N 0 3 323.440 3.168 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC001195159867 1101089415 /nfs/dbraw/zinc/08/94/15/1101089415.db2.gz UVDAOYLUOXEUOI-QGZVFWFLSA-N 0 3 324.509 3.306 20 30 DGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC001195497279 1101150531 /nfs/dbraw/zinc/15/05/31/1101150531.db2.gz HEONPCARIBTJNS-RHSMWYFYSA-N 0 3 314.429 3.358 20 30 DGEDHN Cc1cccc([C@H](C)N2CCCN(C(=O)C#CC(C)C)CC2)c1 ZINC001195754089 1101188972 /nfs/dbraw/zinc/18/89/72/1101188972.db2.gz JBSKQBMUYXMBSG-SFHVURJKSA-N 0 3 312.457 3.250 20 30 DGEDHN N#Cc1ccccc1NC(=S)Nc1cnccc1N1CCCC1 ZINC001196292184 1101281982 /nfs/dbraw/zinc/28/19/82/1101281982.db2.gz CBKKFGOEWGXBMK-UHFFFAOYSA-N 0 3 323.425 3.362 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC001196717935 1101370199 /nfs/dbraw/zinc/37/01/99/1101370199.db2.gz GYYHMYVEKCHFJL-AWEZNQCLSA-N 0 3 322.474 3.259 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196831416 1101401747 /nfs/dbraw/zinc/40/17/47/1101401747.db2.gz QIRUFODWWUANEU-HZPDHXFCSA-N 0 3 320.502 3.283 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001196830315 1101402398 /nfs/dbraw/zinc/40/23/98/1101402398.db2.gz KOHLWBPMVCQLRW-AEFFLSMTSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCCc2ccc(C)cc2)CC1 ZINC001197036485 1101460786 /nfs/dbraw/zinc/46/07/86/1101460786.db2.gz FPBILAXCVOLKEQ-UHFFFAOYSA-N 0 3 314.473 3.428 20 30 DGEDHN C=CCCC1(C(=O)N2CCCN(CCCOC(C)C)CC2)CC1 ZINC001197061504 1101466727 /nfs/dbraw/zinc/46/67/27/1101466727.db2.gz CNXZUZAZRRRMQR-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ncsc2C2CC2)CC1 ZINC001197142471 1101476802 /nfs/dbraw/zinc/47/68/02/1101476802.db2.gz XCRQDRHKGROPBZ-UHFFFAOYSA-N 0 3 319.474 3.135 20 30 DGEDHN COc1nc(C2=CCN(Cc3ccccc3)CC2)ccc1C#N ZINC001241502522 1101516848 /nfs/dbraw/zinc/51/68/48/1101516848.db2.gz ZNOJATCATJLGOU-UHFFFAOYSA-N 0 3 305.381 3.251 20 30 DGEDHN CN1CCC=C(c2ccc(COc3ccc(CC#N)cc3)cn2)C1 ZINC001241567778 1101550015 /nfs/dbraw/zinc/55/00/15/1101550015.db2.gz IWPHORMBAFTCRI-UHFFFAOYSA-N 0 3 319.408 3.446 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2scnc2C2CC2)CC1 ZINC001197379430 1101559293 /nfs/dbraw/zinc/55/92/93/1101559293.db2.gz LCFLDAHAJBLMGL-UHFFFAOYSA-N 0 3 319.474 3.135 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001197379600 1101560072 /nfs/dbraw/zinc/56/00/72/1101560072.db2.gz PPACJAZZVUSRJG-HNNXBMFYSA-N 0 3 319.449 3.302 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2csc(C(C)C)n2)CC1 ZINC001197454779 1101574333 /nfs/dbraw/zinc/57/43/33/1101574333.db2.gz WEUUHQDFJOJREX-UHFFFAOYSA-N 0 3 321.490 3.381 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001197747161 1101657154 /nfs/dbraw/zinc/65/71/54/1101657154.db2.gz JKSQZUXZWNHXMU-GOSISDBHSA-N 0 3 306.494 3.397 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C/C(C)(C)C)C2 ZINC001278335939 1101701594 /nfs/dbraw/zinc/70/15/94/1101701594.db2.gz MVMOZUCMWHWQPI-WAEYIKQSSA-N 0 3 316.489 3.317 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001198075933 1101748312 /nfs/dbraw/zinc/74/83/12/1101748312.db2.gz QZEOOMNBTCFCMQ-IAGOWNOFSA-N 0 3 312.498 3.087 20 30 DGEDHN C#CCCN1CCCN(C(=O)C(CC(C)C)CC(C)C)CC1 ZINC001198291008 1101806518 /nfs/dbraw/zinc/80/65/18/1101806518.db2.gz XWDDXUUVAPZVST-UHFFFAOYSA-N 0 3 306.494 3.252 20 30 DGEDHN Cc1cccc(C)c1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001198340265 1101826041 /nfs/dbraw/zinc/82/60/41/1101826041.db2.gz LMPHHPQRLVMEPR-ZDUSSCGKSA-N 0 3 318.467 3.274 20 30 DGEDHN C=CCC[C@@H](C)N[C@@H](CNC(=O)C1CC1)c1ccccc1OC ZINC001198472401 1101869737 /nfs/dbraw/zinc/86/97/37/1101869737.db2.gz PVWBGXOJRSSIOJ-PBHICJAKSA-N 0 3 316.445 3.207 20 30 DGEDHN C=CCC[C@@H](C)N[C@H](CNC(=O)C1CC1)c1ccccc1OC ZINC001198472402 1101873169 /nfs/dbraw/zinc/87/31/69/1101873169.db2.gz PVWBGXOJRSSIOJ-RHSMWYFYSA-N 0 3 316.445 3.207 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)CC1CC1)c1ccccc1OC ZINC001198481984 1101886430 /nfs/dbraw/zinc/88/64/30/1101886430.db2.gz LXBZVLMGWWRCGH-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)C(C)(C)F)c1ccccc1OC ZINC001198480715 1101887010 /nfs/dbraw/zinc/88/70/10/1101887010.db2.gz BNSRCNUSCQBSNM-HNNXBMFYSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C1CC(C)C1)c1ccccc1OC ZINC001198658277 1101942937 /nfs/dbraw/zinc/94/29/37/1101942937.db2.gz VZLPURWDHHUHPQ-DQPZFDDXSA-N 0 3 316.445 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1OC ZINC001198667557 1101953291 /nfs/dbraw/zinc/95/32/91/1101953291.db2.gz IOXKZPLXPKPOJY-JKSUJKDBSA-N 0 3 316.445 3.064 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198678091 1101955150 /nfs/dbraw/zinc/95/51/50/1101955150.db2.gz WTOCEMNZDYMICY-QGZVFWFLSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198740940 1101964353 /nfs/dbraw/zinc/96/43/53/1101964353.db2.gz JBLKRXBAUYKPHS-AWEZNQCLSA-N 0 3 324.852 3.241 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198740207 1101964564 /nfs/dbraw/zinc/96/45/64/1101964564.db2.gz BEORMWYSIVKNGW-HNNXBMFYSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)CCCF)c1ccccc1OC ZINC001198828661 1101988554 /nfs/dbraw/zinc/98/85/54/1101988554.db2.gz YZVWNDMLKVOTKP-MRXNPFEDSA-N 0 3 322.424 3.158 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCCCC)c1ccccc1OC ZINC001198834316 1101989714 /nfs/dbraw/zinc/98/97/14/1101989714.db2.gz LFDXVADBGZEPBX-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCCCCC)C1 ZINC001198848932 1101999138 /nfs/dbraw/zinc/99/91/38/1101999138.db2.gz WDHXBNGILYBMKE-LMMKCTJWSA-N 0 3 324.509 3.111 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198857586 1102004038 /nfs/dbraw/zinc/00/40/38/1102004038.db2.gz RXNOUTYFTFCWED-WBVHZDCISA-N 0 3 318.461 3.453 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198857617 1102004895 /nfs/dbraw/zinc/00/48/95/1102004895.db2.gz SQOCUMPZQXEDLU-KRWDZBQOSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198876557 1102018034 /nfs/dbraw/zinc/01/80/34/1102018034.db2.gz TYOWQPDROZVNGD-MRXNPFEDSA-N 0 3 304.434 3.207 20 30 DGEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCCCCCCC)C1 ZINC001198904988 1102030720 /nfs/dbraw/zinc/03/07/20/1102030720.db2.gz SPOLKBVOOMHQRW-KZNAEPCWSA-N 0 3 324.509 3.111 20 30 DGEDHN C#Cc1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc1 ZINC001242294854 1102035823 /nfs/dbraw/zinc/03/58/23/1102035823.db2.gz OIGNYFFUSGUYLH-HXUWFJFHSA-N 0 3 302.377 3.249 20 30 DGEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001199245964 1102090642 /nfs/dbraw/zinc/09/06/42/1102090642.db2.gz QOJMWTZZILWOSP-ZHALLVOQSA-N 0 3 324.509 3.111 20 30 DGEDHN Cc1cc(C#N)cc(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001242479539 1102156229 /nfs/dbraw/zinc/15/62/29/1102156229.db2.gz WXOXBLKFIWXIQH-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN Cc1ccc(C#N)cc1-c1cc(OC2CCN(C)CC2)ccn1 ZINC001242544101 1102199797 /nfs/dbraw/zinc/19/97/97/1102199797.db2.gz SADOFGSUQBVKJI-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)CC ZINC001273812785 1102303019 /nfs/dbraw/zinc/30/30/19/1102303019.db2.gz ALIYZIGLYCTTPC-QAPCUYQASA-N 0 3 300.446 3.152 20 30 DGEDHN CC#Cc1cncc(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001242940088 1102431818 /nfs/dbraw/zinc/43/18/18/1102431818.db2.gz FENAYFOGFXFUMG-HXUWFJFHSA-N 0 3 317.392 3.034 20 30 DGEDHN CCCCCCCCN1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001201826232 1102739748 /nfs/dbraw/zinc/73/97/48/1102739748.db2.gz QPONUMKFKIWXBS-UHFFFAOYSA-N 0 3 312.498 3.306 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202085511 1102823853 /nfs/dbraw/zinc/82/38/53/1102823853.db2.gz UXKSQKIVCCTNIC-VSIAZPJASA-N 0 3 319.276 3.344 20 30 DGEDHN CC#CCCCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202102191 1102829815 /nfs/dbraw/zinc/82/98/15/1102829815.db2.gz ZJLYMGVNRPGVIY-ACCUITESSA-N 0 3 317.260 3.080 20 30 DGEDHN C=CCOC(=O)N1CCC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001202283266 1102925682 /nfs/dbraw/zinc/92/56/82/1102925682.db2.gz OWNJMNBUZFGLQU-CQSZACIVSA-N 0 3 320.355 3.049 20 30 DGEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1C1=CC[C@H](C#N)CC1 ZINC001243789648 1102980334 /nfs/dbraw/zinc/98/03/34/1102980334.db2.gz JEGVLWXWRBDOSH-LBPRGKRZSA-N 0 3 312.417 3.232 20 30 DGEDHN Cc1ccc(CN2CCCN(c3ncc(C#N)cc3F)CC2)cc1 ZINC001325556132 1103066317 /nfs/dbraw/zinc/06/63/17/1103066317.db2.gz UTFWYJIKNKTKMQ-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C2CCC2)CCC1 ZINC001488645968 1103077047 /nfs/dbraw/zinc/07/70/47/1103077047.db2.gz WYUBGJWQOKCMQW-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001488646415 1103083800 /nfs/dbraw/zinc/08/38/00/1103083800.db2.gz CFQRIJVVTJDOOX-KBPBESRZSA-N 0 3 314.420 3.167 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)CCC1CCCC1 ZINC001325677559 1103099605 /nfs/dbraw/zinc/09/96/05/1103099605.db2.gz OFQOBFRHXOTUDI-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](C)CC ZINC001325709132 1103106740 /nfs/dbraw/zinc/10/67/40/1103106740.db2.gz ZGQHMTDGIBPIAA-ROUUACIJSA-N 0 3 314.473 3.310 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001488683553 1103107407 /nfs/dbraw/zinc/10/74/07/1103107407.db2.gz IVVLCXYMTFRTPO-CEXWTWQISA-N 0 3 312.457 3.289 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001488729327 1103127294 /nfs/dbraw/zinc/12/72/94/1103127294.db2.gz FSNAGBLFDJQQQO-OAGGEKHMSA-N 0 3 316.420 3.031 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@@H]3C[C@@H]3CC1)C2 ZINC001095798918 1103155323 /nfs/dbraw/zinc/15/53/23/1103155323.db2.gz JHUROKQIIJWWQJ-ZXXIGWHRSA-N 0 3 302.462 3.110 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001488959601 1103206894 /nfs/dbraw/zinc/20/68/94/1103206894.db2.gz UPPQNXCHFMREJP-SOUVJXGZSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001489084051 1103262718 /nfs/dbraw/zinc/26/27/18/1103262718.db2.gz GNTNXYLXCMFFCV-CBDVFQROSA-N 0 3 322.880 3.264 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[C@H](C)CC)C2 ZINC001110597672 1103307691 /nfs/dbraw/zinc/30/76/91/1103307691.db2.gz LGIYDLQBJHHJKI-TVFCKZIOSA-N 0 3 304.478 3.338 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H](F)C1 ZINC001326458195 1103324532 /nfs/dbraw/zinc/32/45/32/1103324532.db2.gz MOJPHFGMTPQHML-YJBOKZPZSA-N 0 3 318.436 3.449 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2[nH]c(C)cc2C)cc1 ZINC001326467508 1103328421 /nfs/dbraw/zinc/32/84/21/1103328421.db2.gz GIJYCZFSLCXQIM-MRXNPFEDSA-N 0 3 323.440 3.235 20 30 DGEDHN N#Cc1ccc(-c2cncc([C@H]3CN4CCC3CC4)n2)c(Cl)c1 ZINC001244328117 1103365571 /nfs/dbraw/zinc/36/55/71/1103365571.db2.gz QGYGSQULQLPORW-HNNXBMFYSA-N 0 3 324.815 3.478 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114669121 1103372542 /nfs/dbraw/zinc/37/25/42/1103372542.db2.gz OWFTVLYHBRVJKB-UWLBVIAISA-N 0 3 324.468 3.349 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cccnc2C)CCC1 ZINC001326878570 1103467958 /nfs/dbraw/zinc/46/79/58/1103467958.db2.gz WTEJXHUAHIKBOR-SFHVURJKSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001276318587 1103486271 /nfs/dbraw/zinc/48/62/71/1103486271.db2.gz DIOFKFKMEOANHB-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCCCN1C[C@H](F)CC ZINC001276319310 1103488898 /nfs/dbraw/zinc/48/88/98/1103488898.db2.gz JXPWFCXUEZYBGS-SJORKVTESA-N 0 3 310.457 3.289 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(F)cc1Cl ZINC001276365141 1103561710 /nfs/dbraw/zinc/56/17/10/1103561710.db2.gz DQYZRQXQTGGVKT-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(CC)Cc2ccccn2)CC1 ZINC001490342355 1103577447 /nfs/dbraw/zinc/57/74/47/1103577447.db2.gz BZZFAWVKHAEFAO-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001327246165 1103600372 /nfs/dbraw/zinc/60/03/72/1103600372.db2.gz SXMWSDROYAIMJN-UHFFFAOYSA-N 0 3 308.388 3.321 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001490532474 1103638953 /nfs/dbraw/zinc/63/89/53/1103638953.db2.gz WUSADXSNCVULNE-MRXNPFEDSA-N 0 3 304.434 3.447 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001490582097 1103667837 /nfs/dbraw/zinc/66/78/37/1103667837.db2.gz INGSJNVROLWFOC-PBHICJAKSA-N 0 3 320.864 3.285 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CCC)CC(C)C)C2 ZINC001327542565 1103679022 /nfs/dbraw/zinc/67/90/22/1103679022.db2.gz WYQQXAFIAZBNOG-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCC1(C(=O)NC[C@H](NCC#Cc2ccccc2)C2CC2)CC1 ZINC001490704441 1103697868 /nfs/dbraw/zinc/69/78/68/1103697868.db2.gz AWYRTFSIBXOEPO-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN Cc1c(C#N)cccc1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001244818145 1103700170 /nfs/dbraw/zinc/70/01/70/1103700170.db2.gz UGOZHAGJIRNSAD-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc3ccccc3o2)C1 ZINC001327842180 1103738752 /nfs/dbraw/zinc/73/87/52/1103738752.db2.gz HYCJREVIEBDBLY-QAPCUYQASA-N 0 3 324.424 3.173 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ccccc3C1)C2 ZINC001096068711 1103747723 /nfs/dbraw/zinc/74/77/23/1103747723.db2.gz WJWKKSSFPXWKCX-YRPNKDGESA-N 0 3 324.468 3.089 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001327869266 1103748570 /nfs/dbraw/zinc/74/85/70/1103748570.db2.gz VKRGPTYDOOBLFO-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C(F)(F)F)CC1)C2 ZINC001110659563 1103777398 /nfs/dbraw/zinc/77/73/98/1103777398.db2.gz IBUVYOQVZKVLCR-UPJWGTAASA-N 0 3 316.367 3.017 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsn1)C2 ZINC001110702786 1103797847 /nfs/dbraw/zinc/79/78/47/1103797847.db2.gz LBFDSBJBTGHZRZ-BMFZPTHFSA-N 0 3 321.490 3.449 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(CC)cc1C)C2 ZINC001096354613 1103809676 /nfs/dbraw/zinc/80/96/76/1103809676.db2.gz MCGHTGNYIUPFLB-KBMXLJTQSA-N 0 3 302.418 3.062 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001096406856 1103823514 /nfs/dbraw/zinc/82/35/14/1103823514.db2.gz CMTXVOPBJIKKDH-QYZOEREBSA-N 0 3 324.468 3.343 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)cccc1Cl)C2 ZINC001096407137 1103825657 /nfs/dbraw/zinc/82/56/57/1103825657.db2.gz GLTJBDYAYPISQU-UGFHNGPFSA-N 0 3 322.811 3.390 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001328067003 1103831301 /nfs/dbraw/zinc/83/13/01/1103831301.db2.gz JGENFDUEUMHSBP-HNNXBMFYSA-N 0 3 306.475 3.431 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001328224243 1103879755 /nfs/dbraw/zinc/87/97/55/1103879755.db2.gz QHOWDIDXGFCPCN-MAUKXSAKSA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC001328247163 1103890966 /nfs/dbraw/zinc/89/09/66/1103890966.db2.gz YIPXSGZJZPRNPF-DOTOQJQBSA-N 0 3 316.445 3.131 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001328267141 1103896262 /nfs/dbraw/zinc/89/62/62/1103896262.db2.gz NWXIOWVICVPJQB-WBVHZDCISA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1C ZINC001490805593 1103900229 /nfs/dbraw/zinc/90/02/29/1103900229.db2.gz JVPPNUJDESTUQJ-CALCHBBNSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCCCC(=O)N1CCC(CCNCc2cscn2)CC1 ZINC001495429540 1103900407 /nfs/dbraw/zinc/90/04/07/1103900407.db2.gz XXGMYTBNXGKNQS-UHFFFAOYSA-N 0 3 321.490 3.218 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001328485887 1103964474 /nfs/dbraw/zinc/96/44/74/1103964474.db2.gz PYGMTQISTODTPR-IUXPMGMMSA-N 0 3 320.477 3.002 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](C)SC)CC1 ZINC001328568239 1103981846 /nfs/dbraw/zinc/98/18/46/1103981846.db2.gz STVPFKVBAMHUTI-ZDUSSCGKSA-N 0 3 318.914 3.051 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001328644353 1104009577 /nfs/dbraw/zinc/00/95/77/1104009577.db2.gz WUKFUFZVPBRMNM-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001328686919 1104021803 /nfs/dbraw/zinc/02/18/03/1104021803.db2.gz RDTQCFMPBZTWMJ-OZOXKJRCSA-N 0 3 322.452 3.128 20 30 DGEDHN N#Cc1cc2[nH]ccc2c(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245426557 1104048925 /nfs/dbraw/zinc/04/89/25/1104048925.db2.gz JQQXSKURYHCKJY-INIZCTEOSA-N 0 3 307.397 3.308 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CC2(C1)C[C@@H](F)CS2 ZINC001253238262 1104051466 /nfs/dbraw/zinc/05/14/66/1104051466.db2.gz BYGACYRBEZTZLP-HUUCEWRRSA-N 0 3 301.471 3.403 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001329044573 1104135937 /nfs/dbraw/zinc/13/59/37/1104135937.db2.gz GNMREOGCWBCKFG-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001329050224 1104137015 /nfs/dbraw/zinc/13/70/15/1104137015.db2.gz SQFDBRHOUFGXNJ-OLZOCXBDSA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(F)=C(C)C)C12CCC2 ZINC001202735618 1104186146 /nfs/dbraw/zinc/18/61/46/1104186146.db2.gz MWGIEYXKFCNWKI-NWDGAFQWSA-N 0 3 300.805 3.019 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2c1cc(F)cc2F ZINC001329397266 1104245776 /nfs/dbraw/zinc/24/57/76/1104245776.db2.gz OZZQRRQCPBXRHN-YVEFUNNKSA-N 0 3 322.399 3.355 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329411132 1104254913 /nfs/dbraw/zinc/25/49/13/1104254913.db2.gz BRZSUESIOKNQCW-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1ccnc(Cl)c1 ZINC001274252998 1104336391 /nfs/dbraw/zinc/33/63/91/1104336391.db2.gz HIQCGDHBHBLVLP-AATRIKPKSA-N 0 3 321.852 3.099 20 30 DGEDHN CCCC(C)(C)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001274324443 1104353750 /nfs/dbraw/zinc/35/37/50/1104353750.db2.gz DGDBSGYBMRGDID-WAYWQWQTSA-N 0 3 313.445 3.147 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1ccnc(Cl)c1 ZINC001274340668 1104358510 /nfs/dbraw/zinc/35/85/10/1104358510.db2.gz WMPKNNHVAGQANL-DKRLNXSXSA-N 0 3 321.852 3.099 20 30 DGEDHN CCCCCCCCC[C@@H](CCC)N[C@@H](CN)C(=O)OC ZINC001246084206 1104378619 /nfs/dbraw/zinc/37/86/19/1104378619.db2.gz PAVGHJZRRFCAGN-CVEARBPZSA-N 0 3 300.487 3.386 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCc2cccc3c2CCOC3)C1 ZINC001329756231 1104380010 /nfs/dbraw/zinc/38/00/10/1104380010.db2.gz YWZOLWGAHCCHCP-UHFFFAOYSA-N 0 3 318.420 3.473 20 30 DGEDHN CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001274573145 1104411173 /nfs/dbraw/zinc/41/11/73/1104411173.db2.gz UNUCEXLQMAVYRU-MSOLQXFVSA-N 0 3 313.445 3.145 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC001278438863 1104459643 /nfs/dbraw/zinc/45/96/43/1104459643.db2.gz XZSKRMDSSCJGOL-YLJYHZDGSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001274732105 1104471342 /nfs/dbraw/zinc/47/13/42/1104471342.db2.gz REUDKLXILYKLIZ-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H]1CCC(F)(F)C1 ZINC001274732104 1104471650 /nfs/dbraw/zinc/47/16/50/1104471650.db2.gz REUDKLXILYKLIZ-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN C#Cc1ccc(CN2CC3(CN(CCCC(F)(F)F)C3)C2)cc1 ZINC001275132409 1104642305 /nfs/dbraw/zinc/64/23/05/1104642305.db2.gz RZOWGMBWXDYWQH-UHFFFAOYSA-N 0 3 322.374 3.128 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001330800314 1104649348 /nfs/dbraw/zinc/64/93/48/1104649348.db2.gz HWOOBTSMDKRLQD-STTHAQSSSA-N 0 3 313.445 3.289 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001275175561 1104665297 /nfs/dbraw/zinc/66/52/97/1104665297.db2.gz IZMHHKMNIYTPCN-MJGOQNOKSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCCC(=O)NC1CC(CNCc2cc(F)ccc2Cl)C1 ZINC001275209856 1104678583 /nfs/dbraw/zinc/67/85/83/1104678583.db2.gz NVNMCJAXWBCTSI-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2ccccc2C)C1 ZINC001275289985 1104708471 /nfs/dbraw/zinc/70/84/71/1104708471.db2.gz SCKBQHXYGKLNJW-UHFFFAOYSA-N 0 3 320.864 3.165 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001275355060 1104733991 /nfs/dbraw/zinc/73/39/91/1104733991.db2.gz JNBMUXKCEMQLOL-NGPFNDBQSA-N 0 3 317.408 3.036 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CCC1CCC1 ZINC001275377890 1104741542 /nfs/dbraw/zinc/74/15/42/1104741542.db2.gz VAVQIMKCPSOZFZ-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc2ccccc2o1 ZINC001275384817 1104743712 /nfs/dbraw/zinc/74/37/12/1104743712.db2.gz DRAFLURTGVLJST-CABCVRRESA-N 0 3 312.413 3.219 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001275461660 1104766596 /nfs/dbraw/zinc/76/65/96/1104766596.db2.gz QSTCRIRTVFIUIG-SJORKVTESA-N 0 3 312.457 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001275461657 1104766964 /nfs/dbraw/zinc/76/69/64/1104766964.db2.gz QSTCRIRTVFIUIG-DLBZAZTESA-N 0 3 312.457 3.123 20 30 DGEDHN Cc1cccc(C(=O)N[C@@H](C)CN(C)Cc2cccc(C#N)c2)c1 ZINC001275496094 1104779480 /nfs/dbraw/zinc/77/94/80/1104779480.db2.gz GMJXYJAGTOKLNP-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN1CC2(CCN2C2CCCC2)C1 ZINC001275525341 1104790708 /nfs/dbraw/zinc/79/07/08/1104790708.db2.gz IPFTZDOZPULGOP-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001275535510 1104797603 /nfs/dbraw/zinc/79/76/03/1104797603.db2.gz RZIPFJFBMXSDIC-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)CCc1csc(C)n1 ZINC001275639418 1104842728 /nfs/dbraw/zinc/84/27/28/1104842728.db2.gz VMUKKWBXUDWGCN-DYVFJYSZSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCCC(=O)N(C)CC(C)(C)CNCc1ccncc1Cl ZINC001275652142 1104849310 /nfs/dbraw/zinc/84/93/10/1104849310.db2.gz YIDSXSQPNNYCDV-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCC(F)(F)F ZINC001275657243 1104850349 /nfs/dbraw/zinc/85/03/49/1104850349.db2.gz PFHZTCQXPHMKSE-UHFFFAOYSA-N 0 3 314.779 3.156 20 30 DGEDHN Cc1cc(-c2noc(C[C@@H](N)c3cccs3)n2)ccc1C#N ZINC001247258844 1104853689 /nfs/dbraw/zinc/85/36/89/1104853689.db2.gz IXBGJZUUFVKERW-CYBMUJFWSA-N 0 3 310.382 3.221 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@H]1CCCc2ccccc21 ZINC001275706769 1104873057 /nfs/dbraw/zinc/87/30/57/1104873057.db2.gz LRBNOYBPKCXAIL-NVXWUHKLSA-N 0 3 300.446 3.119 20 30 DGEDHN Cc1ccccc1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001275846128 1104931052 /nfs/dbraw/zinc/93/10/52/1104931052.db2.gz XWLVUWWZARCVNE-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001275994755 1104983039 /nfs/dbraw/zinc/98/30/39/1104983039.db2.gz XLKNCLJTPWFEHA-STQMWFEESA-N 0 3 306.475 3.109 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001276012724 1104988085 /nfs/dbraw/zinc/98/80/85/1104988085.db2.gz XFXXEKOUGKHVIT-UONOGXRCSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(CCc2ccccc2)CC1 ZINC001276021351 1104990411 /nfs/dbraw/zinc/99/04/11/1104990411.db2.gz OJFYIEJDMPYHJJ-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001276252919 1105063452 /nfs/dbraw/zinc/06/34/52/1105063452.db2.gz CTSFTHPBAUMBHE-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001276271927 1105070581 /nfs/dbraw/zinc/07/05/81/1105070581.db2.gz QCAVYGMIPQLCSO-DLBZAZTESA-N 0 3 320.864 3.289 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc3c1cccc3C)C2 ZINC001095538951 1105071195 /nfs/dbraw/zinc/07/11/95/1105071195.db2.gz SBRDVSLFYIPRBY-JLSDUUJJSA-N 0 3 322.408 3.100 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(CC)c1)C2 ZINC001095636871 1105093104 /nfs/dbraw/zinc/09/31/04/1105093104.db2.gz DQRJNTPOFDZPEY-QYZOEREBSA-N 0 3 312.457 3.089 20 30 DGEDHN C=CCCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001248409882 1105110364 /nfs/dbraw/zinc/11/03/64/1105110364.db2.gz IMJPNVVCDCVFBP-GOSISDBHSA-N 0 3 315.461 3.307 20 30 DGEDHN CCc1nc(C2CCN(Cc3ccc(C#N)cc3CC)CC2)no1 ZINC001248752448 1105155225 /nfs/dbraw/zinc/15/52/25/1105155225.db2.gz MCKVMGGIUKHNQP-UHFFFAOYSA-N 0 3 324.428 3.446 20 30 DGEDHN CN(CCc1cccc(F)c1)Cc1cnn2ccc(C#N)cc12 ZINC001249119488 1105228931 /nfs/dbraw/zinc/22/89/31/1105228931.db2.gz ZHYCJDUYOKQQEB-UHFFFAOYSA-N 0 3 308.360 3.020 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(Cl)cc3OC)no2)CCCN1 ZINC001249352245 1105272529 /nfs/dbraw/zinc/27/25/29/1105272529.db2.gz ZLOPQSGUNZXAIZ-MRXNPFEDSA-N 0 3 317.776 3.001 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(F)c(Cl)c3)no2)CCCN1 ZINC001249353565 1105273198 /nfs/dbraw/zinc/27/31/98/1105273198.db2.gz PURRZPDAWWIENJ-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN N#Cc1ccc(N2CCN(Cc3cccc4c3CCC4)CC2)cc1 ZINC001249458028 1105290425 /nfs/dbraw/zinc/29/04/25/1105290425.db2.gz BPXLTWQZKQHNQS-UHFFFAOYSA-N 0 3 317.436 3.369 20 30 DGEDHN Cc1cc(C#N)c(N=C2CCC(N3CCOCC3)CC2)s1 ZINC001249553243 1105312177 /nfs/dbraw/zinc/31/21/77/1105312177.db2.gz FCBYUOBBTZTJDE-OAHLLOKOSA-N 0 3 303.431 3.109 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCCCC1)C2 ZINC001111444698 1105367214 /nfs/dbraw/zinc/36/72/14/1105367214.db2.gz PNHUQIPVNXLWAG-ZACQAIPSSA-N 0 3 302.462 3.092 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1C1CC1)C2 ZINC001097579349 1105409557 /nfs/dbraw/zinc/40/95/57/1105409557.db2.gz NCRPHAQCWYSQDP-AHRSYUTCSA-N 0 3 322.452 3.231 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncccc3c1)C2 ZINC001097771184 1105444298 /nfs/dbraw/zinc/44/42/98/1105444298.db2.gz JNLFHGZTQZMXDG-QRQLOZEOSA-N 0 3 321.424 3.146 20 30 DGEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)cc(C)cc1C)C2 ZINC001097772771 1105445708 /nfs/dbraw/zinc/44/57/08/1105445708.db2.gz CABGFDPITFQASH-QRQLOZEOSA-N 0 3 312.457 3.062 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1[nH]c(C)cc1C)C2 ZINC001137324098 1105486190 /nfs/dbraw/zinc/48/61/90/1105486190.db2.gz KRBBAEIWUGFJLY-IBGZPJMESA-N 0 3 315.461 3.165 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)ccn1 ZINC001137418372 1105519963 /nfs/dbraw/zinc/51/99/63/1105519963.db2.gz YVQMTUZILYGSJB-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(C(C)C)n1)C2 ZINC001098046105 1105536463 /nfs/dbraw/zinc/53/64/63/1105536463.db2.gz HNDWFIJPIAZZNL-NFAWXSAZSA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C2 ZINC001098083804 1105546670 /nfs/dbraw/zinc/54/66/70/1105546670.db2.gz LHRMLWONMBSRSH-QRVBRYPASA-N 0 3 324.468 3.343 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccc(C)s1)C2 ZINC001098204926 1105561717 /nfs/dbraw/zinc/56/17/17/1105561717.db2.gz JXLWQMUUGQNSLF-FPCVCCKLSA-N 0 3 318.486 3.458 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(Cl)c1)C2 ZINC001098265365 1105565538 /nfs/dbraw/zinc/56/55/38/1105565538.db2.gz UOPQXEIJGKRIQU-OAGGEKHMSA-N 0 3 304.821 3.251 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1cccc(F)c1 ZINC001250808048 1105586520 /nfs/dbraw/zinc/58/65/20/1105586520.db2.gz IIFSONRJDGCPJR-SFHVURJKSA-N 0 3 315.388 3.254 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)s2)C1 ZINC001098699671 1105595272 /nfs/dbraw/zinc/59/52/72/1105595272.db2.gz MPAVXFDBLWQVQX-YOEHRIQHSA-N 0 3 304.459 3.217 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)o2)C1 ZINC001098730730 1105599580 /nfs/dbraw/zinc/59/95/80/1105599580.db2.gz ICYMXGVNCQIUPD-LRDDRELGSA-N 0 3 308.809 3.093 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csc(C)c2C)C1 ZINC001098854558 1105609399 /nfs/dbraw/zinc/60/93/99/1105609399.db2.gz PNKLTKVSFSFRFI-YOEHRIQHSA-N 0 3 304.459 3.135 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001099043141 1105634206 /nfs/dbraw/zinc/63/42/06/1105634206.db2.gz GEHPXCUGUNIZST-KSSFIOAISA-N 0 3 318.848 3.419 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCC(C)(C)CN2CC(=C)C)CCC1 ZINC001099106453 1105642568 /nfs/dbraw/zinc/64/25/68/1105642568.db2.gz GJJFRPBWPKSVDA-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)cc2)C1 ZINC001099131543 1105647069 /nfs/dbraw/zinc/64/70/69/1105647069.db2.gz DLELLFQHDSZFEZ-YOEHRIQHSA-N 0 3 304.821 3.110 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC(F)F ZINC001099144995 1105649674 /nfs/dbraw/zinc/64/96/74/1105649674.db2.gz PYWDRDWDWRXZNL-KGLIPLIRSA-N 0 3 316.436 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOC(C)C ZINC001099171204 1105652714 /nfs/dbraw/zinc/65/27/14/1105652714.db2.gz OMFYUNRWGAGZOI-INIZCTEOSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001099171591 1105652888 /nfs/dbraw/zinc/65/28/88/1105652888.db2.gz MKNUYPRBXKGLNP-ALKREAHSSA-N 0 3 316.420 3.086 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001099188559 1105656054 /nfs/dbraw/zinc/65/60/54/1105656054.db2.gz HABSBZUONGOBSM-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)C(F)(F)F ZINC001099209258 1105657691 /nfs/dbraw/zinc/65/76/91/1105657691.db2.gz YSEBYKWMUBFPTG-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)c1ccco1 ZINC001099228949 1105659100 /nfs/dbraw/zinc/65/91/00/1105659100.db2.gz DVNGTUFJZAKUAB-JKSUJKDBSA-N 0 3 316.445 3.013 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1C(F)(F)F ZINC001099224431 1105659210 /nfs/dbraw/zinc/65/92/10/1105659210.db2.gz IUFKBMODEZIYLV-ZIAGYGMSSA-N 0 3 316.367 3.042 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001099251409 1105662072 /nfs/dbraw/zinc/66/20/72/1105662072.db2.gz JOXLORCWQBUCCS-MRXNPFEDSA-N 0 3 304.478 3.219 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001099257937 1105662139 /nfs/dbraw/zinc/66/21/39/1105662139.db2.gz LZDHBCQPGXUDHL-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CCCOC ZINC001099299291 1105665564 /nfs/dbraw/zinc/66/55/64/1105665564.db2.gz SACNMXKOYJXJKD-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCCC ZINC001099402088 1105676878 /nfs/dbraw/zinc/67/68/78/1105676878.db2.gz PVTFGMZXUZDGQQ-NXOAAHMSSA-N 0 3 324.896 3.488 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCCN(C[C@H](O)c2ccccc2)C1 ZINC001251991593 1105719725 /nfs/dbraw/zinc/71/97/25/1105719725.db2.gz XRGBRRXVFKGATM-OALUTQOASA-N 0 3 322.408 3.135 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001491216436 1105777097 /nfs/dbraw/zinc/77/70/97/1105777097.db2.gz GWMZZQWMPBJWMX-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)NC[C@H](O)COCCCC ZINC001252533667 1105790288 /nfs/dbraw/zinc/79/02/88/1105790288.db2.gz HGPYYJLEPJFUPY-HOTGVXAUSA-N 0 3 307.434 3.080 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CCCCCC2)C1 ZINC001491286462 1105799120 /nfs/dbraw/zinc/79/91/20/1105799120.db2.gz KDFQFJMXXCCJNF-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H]2CCCN(C/C=C/Cl)C2)C1 ZINC001491301525 1105803071 /nfs/dbraw/zinc/80/30/71/1105803071.db2.gz XWYJXZFMJYJKJK-ZWXLGZMVSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001278690672 1105866475 /nfs/dbraw/zinc/86/64/75/1105866475.db2.gz SSWNRQPIMZPZCZ-DLBZAZTESA-N 0 3 318.436 3.142 20 30 DGEDHN CCCC[C@H](CC)COC[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC001253006309 1105874200 /nfs/dbraw/zinc/87/42/00/1105874200.db2.gz IULPFAATMQEJQE-BZSNNMDCSA-N 0 3 310.482 3.206 20 30 DGEDHN CCCC[C@@H](CC)COC[C@@H](O)CNCC#Cc1ccccc1 ZINC001253027295 1105879384 /nfs/dbraw/zinc/87/93/84/1105879384.db2.gz WEORHDOOPQOLMH-QUCCMNQESA-N 0 3 317.473 3.222 20 30 DGEDHN CCCC[C@H](CC)COC[C@H](O)CNCc1csc(C#N)c1 ZINC001253027977 1105879893 /nfs/dbraw/zinc/87/98/93/1105879893.db2.gz APVRDPIZBACQOP-GOEBONIOSA-N 0 3 324.490 3.303 20 30 DGEDHN CCCC[C@H](CC)COC[C@H](O)CNCc1cc(C#N)cs1 ZINC001253033785 1105880211 /nfs/dbraw/zinc/88/02/11/1105880211.db2.gz KXQOGEWIDBCOPE-GOEBONIOSA-N 0 3 324.490 3.303 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001101163030 1105892917 /nfs/dbraw/zinc/89/29/17/1105892917.db2.gz RTHNSOHFCDOHDW-APWZRJJASA-N 0 3 316.420 3.072 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001253234905 1105906544 /nfs/dbraw/zinc/90/65/44/1105906544.db2.gz GTWLMKHHJYZBEB-JKSUJKDBSA-N 0 3 309.475 3.148 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001253235686 1105907068 /nfs/dbraw/zinc/90/70/68/1105907068.db2.gz NGDKOTPLNWJIJV-LSDHHAIUSA-N 0 3 323.399 3.121 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1cccc2c1OCCO2 ZINC001253249321 1105910924 /nfs/dbraw/zinc/91/09/24/1105910924.db2.gz JGGIAKYFWQDARU-QGZVFWFLSA-N 0 3 319.445 3.435 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CCCCCC)C[C@]2(C)C1 ZINC001101399334 1105916580 /nfs/dbraw/zinc/91/65/80/1105916580.db2.gz VUOFNMPCWASMQO-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN CCCCC[C@@H](O)CN1CCC(C#N)(c2ccccc2)CC1 ZINC001253518052 1105948815 /nfs/dbraw/zinc/94/88/15/1105948815.db2.gz JBRSORFECUKEQV-GOSISDBHSA-N 0 3 300.446 3.485 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H](N2CCC(C#N)CC2)C1 ZINC001254197023 1106032482 /nfs/dbraw/zinc/03/24/82/1106032482.db2.gz YQYFKTUHZNNYGS-HNNXBMFYSA-N 0 3 307.438 3.012 20 30 DGEDHN CCCN(CCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254308685 1106054032 /nfs/dbraw/zinc/05/40/32/1106054032.db2.gz VBBVMUYQJZSSPF-OAHLLOKOSA-N 0 3 309.454 3.402 20 30 DGEDHN CCCN(CCC#N)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478802 1106079132 /nfs/dbraw/zinc/07/91/32/1106079132.db2.gz JWSKUOXGOJHRTD-UHFFFAOYSA-N 0 3 316.405 3.189 20 30 DGEDHN CCC[C@H](CCc1ccccc1)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001254487599 1106080087 /nfs/dbraw/zinc/08/00/87/1106080087.db2.gz AVOQTFVIEBUCLK-SJORKVTESA-N 0 3 306.450 3.298 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491548522 1106102504 /nfs/dbraw/zinc/10/25/04/1106102504.db2.gz QZKKIJCBDHTMMC-ZBEGNZNMSA-N 0 3 322.399 3.259 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254660951 1106126808 /nfs/dbraw/zinc/12/68/08/1106126808.db2.gz NMOBBEDVQFWNED-ZNMIVQPWSA-N 0 3 307.438 3.058 20 30 DGEDHN COc1cccc(O[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC001254670087 1106129501 /nfs/dbraw/zinc/12/95/01/1106129501.db2.gz YYBZPTYSYQQNPO-HDMKZQKVSA-N 0 3 300.402 3.231 20 30 DGEDHN C[C@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCCN1C(=O)OC(C)(C)C ZINC001254673035 1106130621 /nfs/dbraw/zinc/13/06/21/1106130621.db2.gz GGUMSXZVWCETEJ-RRFJBIMHSA-N 0 3 307.438 3.010 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001254678691 1106132852 /nfs/dbraw/zinc/13/28/52/1106132852.db2.gz GZKGRBRVEBVMDU-XGUBFFRZSA-N 0 3 301.821 3.295 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103033256 1106143294 /nfs/dbraw/zinc/14/32/94/1106143294.db2.gz BPVHSLJNPSAEGW-UKRRQHHQSA-N 0 3 312.885 3.415 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC001254990220 1106163592 /nfs/dbraw/zinc/16/35/92/1106163592.db2.gz LYTLZBWEXNZLAI-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN CC[C@H](CC#N)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001255154761 1106192859 /nfs/dbraw/zinc/19/28/59/1106192859.db2.gz GSEKEIUZQYQGSU-HUUCEWRRSA-N 0 3 309.454 3.305 20 30 DGEDHN CC[C@@H](CC#N)NCCc1ccc(OCC(F)(F)F)cc1 ZINC001255158294 1106194408 /nfs/dbraw/zinc/19/44/08/1106194408.db2.gz GYWQSJIBCZZPMG-ZDUSSCGKSA-N 0 3 300.324 3.452 20 30 DGEDHN CC[C@H](CC#N)NCC1(Cc2cccc(F)c2)CCOCC1 ZINC001255162116 1106194905 /nfs/dbraw/zinc/19/49/05/1106194905.db2.gz HVZJHSSHEJDPHK-QGZVFWFLSA-N 0 3 304.409 3.447 20 30 DGEDHN CC[C@H](CC#N)NC1(Cc2ccccc2OC)CCOCC1 ZINC001255162700 1106195207 /nfs/dbraw/zinc/19/52/07/1106195207.db2.gz XJJQUROWUNHPEO-MRXNPFEDSA-N 0 3 302.418 3.069 20 30 DGEDHN CC[C@H](CC#N)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255165337 1106196564 /nfs/dbraw/zinc/19/65/64/1106196564.db2.gz WERWUKFYNOFLRM-OAHLLOKOSA-N 0 3 321.465 3.448 20 30 DGEDHN C=CCN1CCC[C@H](N[C@H](C)CSc2ccc(F)cc2)C1=O ZINC001255736118 1106304678 /nfs/dbraw/zinc/30/46/78/1106304678.db2.gz SLKJQANSDFYNGT-CJNGLKHVSA-N 0 3 322.449 3.073 20 30 DGEDHN COc1cccc(C[C@H](C)NC(=N)c2ccc(Cl)cn2)c1 ZINC001256145736 1106377381 /nfs/dbraw/zinc/37/73/81/1106377381.db2.gz JQYVLYMMAMXMSW-NSHDSACASA-N 0 3 303.793 3.080 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)n(C)c1C)C(C)C ZINC001278929289 1106406208 /nfs/dbraw/zinc/40/62/08/1106406208.db2.gz AOGOHBHBAFVAMB-UHFFFAOYSA-N 0 3 305.466 3.000 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001278968234 1106495696 /nfs/dbraw/zinc/49/56/96/1106495696.db2.gz SUYZRDPKEKLXAH-MRXNPFEDSA-N 0 3 317.477 3.304 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1CCC(CC)CC1 ZINC001256873289 1106501517 /nfs/dbraw/zinc/50/15/17/1106501517.db2.gz KZQUYOXMOHPZHZ-LEOMRAHMSA-N 0 3 317.477 3.491 20 30 DGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C1CCC(C#N)CC1 ZINC001256963079 1106516042 /nfs/dbraw/zinc/51/60/42/1106516042.db2.gz BUJDHNAIXDMCKG-QVOMUQBLSA-N 0 3 321.465 3.398 20 30 DGEDHN N#CC1CCC(N2CCN(Cc3ccccc3F)CC2)CC1 ZINC001256968482 1106517856 /nfs/dbraw/zinc/51/78/56/1106517856.db2.gz GRXNBQFMVUNAQZ-UHFFFAOYSA-N 0 3 301.409 3.026 20 30 DGEDHN CC[C@H]1C[C@@H](N2CC(CC#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257131478 1106542698 /nfs/dbraw/zinc/54/26/98/1106542698.db2.gz ZZXHHZFHQOTXCY-GJZGRUSLSA-N 0 3 307.438 3.010 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001278996060 1106545411 /nfs/dbraw/zinc/54/54/11/1106545411.db2.gz RDWJWHVCYDHOON-HIFRSBDPSA-N 0 3 323.506 3.366 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001278996062 1106545721 /nfs/dbraw/zinc/54/57/21/1106545721.db2.gz RDWJWHVCYDHOON-ZFWWWQNUSA-N 0 3 323.506 3.366 20 30 DGEDHN C[C@@H](CC#N)N[C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257809241 1106630866 /nfs/dbraw/zinc/63/08/66/1106630866.db2.gz ZOOUQKGRNDAKIX-HDMKZQKVSA-N 0 3 321.465 3.448 20 30 DGEDHN CCCCCCC[C@H](C)NCc1cc(OCCOC)ncn1 ZINC001258043003 1106664122 /nfs/dbraw/zinc/66/41/22/1106664122.db2.gz GUWODLVAHRGMGK-HNNXBMFYSA-N 0 3 309.454 3.340 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(C[C@H](F)CC)C2CC2)CC1 ZINC001316922318 1106766869 /nfs/dbraw/zinc/76/68/69/1106766869.db2.gz ITPVHUODNSNVAY-MRXNPFEDSA-N 0 3 310.457 3.452 20 30 DGEDHN CC(C)C#CC(=O)N(C)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001316930519 1106777989 /nfs/dbraw/zinc/77/79/89/1106777989.db2.gz DWDOBMSQRWNWGR-JXMROGBWSA-N 0 3 324.468 3.282 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCCc2ccc(C)s2)CC1 ZINC001316937603 1106786282 /nfs/dbraw/zinc/78/62/82/1106786282.db2.gz MJKXLAQASYVAAF-UHFFFAOYSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001320035804 1106807355 /nfs/dbraw/zinc/80/73/55/1106807355.db2.gz XPXOGRQJSHYGNF-KRWDZBQOSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001316949460 1106814184 /nfs/dbraw/zinc/81/41/84/1106814184.db2.gz RZXJYCURSYSMJJ-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001320062144 1106832277 /nfs/dbraw/zinc/83/22/77/1106832277.db2.gz QPYHXBAZGUOEJQ-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001316982957 1106846607 /nfs/dbraw/zinc/84/66/07/1106846607.db2.gz MCRAFSKLIPDIEU-HNNXBMFYSA-N 0 3 319.449 3.327 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H]1CCC(C)(C)C1 ZINC001258606391 1106847403 /nfs/dbraw/zinc/84/74/03/1106847403.db2.gz WUYFASCDBXIOOY-ZBFHGGJFSA-N 0 3 303.450 3.101 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001316997287 1106879223 /nfs/dbraw/zinc/87/92/23/1106879223.db2.gz BNUHKSBHTQEPLC-QGZVFWFLSA-N 0 3 316.420 3.263 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001317005045 1106888331 /nfs/dbraw/zinc/88/83/31/1106888331.db2.gz FPENNNWZZKITSC-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001317006379 1106890429 /nfs/dbraw/zinc/89/04/29/1106890429.db2.gz SRZIGVNAYJWKEE-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1nc(C)cs1 ZINC001320151958 1106903509 /nfs/dbraw/zinc/90/35/09/1106903509.db2.gz JYXJAPVLOJUPBD-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC001320156696 1106907588 /nfs/dbraw/zinc/90/75/88/1106907588.db2.gz MMHDLSPAVLCIMX-OAHLLOKOSA-N 0 3 320.458 3.237 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OC)C1 ZINC001317047546 1106948428 /nfs/dbraw/zinc/94/84/28/1106948428.db2.gz XRYLDGRLGBBNRZ-ZTOOSOLZSA-N 0 3 322.493 3.057 20 30 DGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC001320306576 1106954558 /nfs/dbraw/zinc/95/45/58/1106954558.db2.gz WYMFQUNEJAVBGF-WCQYABFASA-N 0 3 303.324 3.479 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001320324997 1106959907 /nfs/dbraw/zinc/95/99/07/1106959907.db2.gz LLEAYCWOKHXROI-RPVQJOFSSA-N 0 3 319.424 3.309 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001317074549 1106970801 /nfs/dbraw/zinc/97/08/01/1106970801.db2.gz FUTWBFPCXLEBTL-RBSFLKMASA-N 0 3 318.848 3.441 20 30 DGEDHN C=C[C@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC001320471046 1107015738 /nfs/dbraw/zinc/01/57/38/1107015738.db2.gz PGMJQENKBXKQSI-CMPLNLGQSA-N 0 3 314.223 3.315 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1nc(C)c(C)s1 ZINC001320517821 1107039094 /nfs/dbraw/zinc/03/90/94/1107039094.db2.gz OKKASLBAPISUMW-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccccc1OC(C)C ZINC001320615984 1107072441 /nfs/dbraw/zinc/07/24/41/1107072441.db2.gz XTXDWPXBNIPDSR-AWEZNQCLSA-N 0 3 324.852 3.324 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCc1ccsc1 ZINC001317174986 1107087611 /nfs/dbraw/zinc/08/76/11/1107087611.db2.gz XMMBFPRGGBIIRB-MRXNPFEDSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001317175973 1107090850 /nfs/dbraw/zinc/09/08/50/1107090850.db2.gz IRTYIGPVFKGPAL-HOTGVXAUSA-N 0 3 304.434 3.005 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cccc(C)c1Cl ZINC001317175086 1107093515 /nfs/dbraw/zinc/09/35/15/1107093515.db2.gz XGLHSHSLYFKFCP-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001317180699 1107102295 /nfs/dbraw/zinc/10/22/95/1107102295.db2.gz MMBYTIMAEJASHY-HKUYNNGSSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001317235008 1107158754 /nfs/dbraw/zinc/15/87/54/1107158754.db2.gz ORLZTRMDYFCLIV-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)NCc1cc(F)cc(F)c1 ZINC001317264486 1107185873 /nfs/dbraw/zinc/18/58/73/1107185873.db2.gz IPUSMOLHZBKOOG-YVEFUNNKSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](C)NCc1cc(F)ccc1F ZINC001317402828 1107321752 /nfs/dbraw/zinc/32/17/52/1107321752.db2.gz LZWFLYKQYJKGCM-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCCC(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001317417559 1107342070 /nfs/dbraw/zinc/34/20/70/1107342070.db2.gz AFWSVXPZMURFGM-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1Cc1ccns1 ZINC001317427671 1107354613 /nfs/dbraw/zinc/35/46/13/1107354613.db2.gz QQZZCZAYRDLSBU-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC(Nc2ccccc2Cl)CC1 ZINC001321773711 1107431099 /nfs/dbraw/zinc/43/10/99/1107431099.db2.gz FBJCHWJICCXGRV-ZDUSSCGKSA-N 0 3 307.825 3.145 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001317513556 1107476856 /nfs/dbraw/zinc/47/68/56/1107476856.db2.gz MEAAYHQTDIRINI-PXNSSMCTSA-N 0 3 312.457 3.047 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001317544959 1107510973 /nfs/dbraw/zinc/51/09/73/1107510973.db2.gz VDJKHTAVQMHUOT-KRWDZBQOSA-N 0 3 314.473 3.204 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1Cc2ccc(Cl)cc21)C1CC1 ZINC001317560083 1107542116 /nfs/dbraw/zinc/54/21/16/1107542116.db2.gz UFPUUXHVWOQDKV-KRWDZBQOSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN(CCNC(=O)c1cscc1C(F)(F)F)C1CC1 ZINC001317560983 1107544937 /nfs/dbraw/zinc/54/49/37/1107544937.db2.gz ULWIHKMSNZRMBW-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001322219534 1107574153 /nfs/dbraw/zinc/57/41/53/1107574153.db2.gz XBMXXAPRMKKEFY-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1CC ZINC001322224211 1107577660 /nfs/dbraw/zinc/57/76/60/1107577660.db2.gz POBBJVGEYOMLCH-QGZVFWFLSA-N 0 3 314.473 3.379 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc2cnccc2o1)c1ccccc1 ZINC001317720528 1107621125 /nfs/dbraw/zinc/62/11/25/1107621125.db2.gz HBQHQLDZUDLRMS-MRXNPFEDSA-N 0 3 321.380 3.075 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(C(C)C)on1)c1ccccc1 ZINC001317721049 1107621755 /nfs/dbraw/zinc/62/17/55/1107621755.db2.gz BDHAPOFTCGCEIP-MRXNPFEDSA-N 0 3 313.401 3.045 20 30 DGEDHN C=CCN[C@@H](CNC(=O)COc1cccc(C)c1)c1ccccc1 ZINC001317727665 1107626743 /nfs/dbraw/zinc/62/67/43/1107626743.db2.gz VYXXWWYHEIKCMY-IBGZPJMESA-N 0 3 324.424 3.007 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001317733862 1107629631 /nfs/dbraw/zinc/62/96/31/1107629631.db2.gz CCGDZAFJVYJYKH-KMICSSQZSA-N 0 3 302.462 3.212 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccc(Cl)c2)C1 ZINC001317769276 1107651436 /nfs/dbraw/zinc/65/14/36/1107651436.db2.gz AEFLDYVQSUPINH-QGZVFWFLSA-N 0 3 318.848 3.290 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001317770665 1107654088 /nfs/dbraw/zinc/65/40/88/1107654088.db2.gz UHBBOYKZAFZOKI-DLBZAZTESA-N 0 3 316.445 3.109 20 30 DGEDHN C[C@H](NCc1cncc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC001262238835 1107655428 /nfs/dbraw/zinc/65/54/28/1107655428.db2.gz KNMZKLSJFKQSDT-HNNXBMFYSA-N 0 3 306.413 3.404 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001322571150 1107707599 /nfs/dbraw/zinc/70/75/99/1107707599.db2.gz UCOYLRNWOHGTGH-GFCCVEGCSA-N 0 3 319.287 3.015 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCNCC=C(Cl)Cl)C1 ZINC001322690857 1107734781 /nfs/dbraw/zinc/73/47/81/1107734781.db2.gz QSQNWULPTGLOPT-UHFFFAOYSA-N 0 3 305.249 3.100 20 30 DGEDHN C=CCOCCCC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001317964196 1107772712 /nfs/dbraw/zinc/77/27/12/1107772712.db2.gz KIWVFRSNTCHTDR-SFHVURJKSA-N 0 3 320.477 3.050 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001323258322 1107904394 /nfs/dbraw/zinc/90/43/94/1107904394.db2.gz IJKVQLHCVJEWPF-HNNXBMFYSA-N 0 3 323.868 3.229 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1C ZINC001318223649 1107904874 /nfs/dbraw/zinc/90/48/74/1107904874.db2.gz IIYDWZFPHZTXOU-PVAVHDDUSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1C ZINC001318223650 1107905154 /nfs/dbraw/zinc/90/51/54/1107905154.db2.gz IIYDWZFPHZTXOU-XIRDDKMYSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2C)CC1 ZINC001318232020 1107908014 /nfs/dbraw/zinc/90/80/14/1107908014.db2.gz DQTONQCFXDKRGU-ROUUACIJSA-N 0 3 324.468 3.278 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(F)cc2ccoc21 ZINC001323263037 1107908192 /nfs/dbraw/zinc/90/81/92/1107908192.db2.gz QRARJUQTMSFDCF-OAHLLOKOSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001323274211 1107911996 /nfs/dbraw/zinc/91/19/96/1107911996.db2.gz WZLRTUUQURBRFG-DOMZBBRYSA-N 0 3 317.433 3.019 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001318255481 1107917645 /nfs/dbraw/zinc/91/76/45/1107917645.db2.gz RWGBTYDJTOTGFA-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001323294104 1107922949 /nfs/dbraw/zinc/92/29/49/1107922949.db2.gz SFCOXAJUPDUEEE-CHWSQXEVSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001323302555 1107924908 /nfs/dbraw/zinc/92/49/08/1107924908.db2.gz PFPRHQXHZUNKFU-DOTOQJQBSA-N 0 3 315.461 3.364 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001318275981 1107926479 /nfs/dbraw/zinc/92/64/79/1107926479.db2.gz IEMDOKBASFYOIN-YOEHRIQHSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001318349168 1107952469 /nfs/dbraw/zinc/95/24/69/1107952469.db2.gz BSGYCTZZGMOKND-SJLPKXTDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001318349167 1107952523 /nfs/dbraw/zinc/95/25/23/1107952523.db2.gz BSGYCTZZGMOKND-FUHWJXTLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001323372549 1107957152 /nfs/dbraw/zinc/95/71/52/1107957152.db2.gz ZAELTIIABVRPAJ-XLIONFOSSA-N 0 3 312.457 3.047 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001263146829 1107960957 /nfs/dbraw/zinc/96/09/57/1107960957.db2.gz JGQJSZMQDGHUIE-ULQDDVLXSA-N 0 3 310.482 3.092 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001318365684 1107962851 /nfs/dbraw/zinc/96/28/51/1107962851.db2.gz IARJBJSFIROIHR-RTBURBONSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001323407917 1107967303 /nfs/dbraw/zinc/96/73/03/1107967303.db2.gz ZFHLZHGMEBQBBB-UHFFFAOYSA-N 0 3 310.800 3.184 20 30 DGEDHN C#CCCCCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001323424112 1107971218 /nfs/dbraw/zinc/97/12/18/1107971218.db2.gz PEONVBPKZOYZTM-HNNXBMFYSA-N 0 3 316.420 3.319 20 30 DGEDHN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)[C@H](N)CCCCC#N ZINC001263221764 1107980559 /nfs/dbraw/zinc/98/05/59/1107980559.db2.gz ZYKXJJNIBFXMNO-IAGOWNOFSA-N 0 3 313.445 3.192 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001318427376 1107999421 /nfs/dbraw/zinc/99/94/21/1107999421.db2.gz DYIXMMLVPKHAOC-DOTOQJQBSA-N 0 3 318.436 3.113 20 30 DGEDHN N#CC(C(=O)Cc1ccc(C2CCC2)cc1)C(=O)NC1CCCC1 ZINC001263314112 1108013709 /nfs/dbraw/zinc/01/37/09/1108013709.db2.gz GNGQTUARWADSKJ-GOSISDBHSA-N 0 3 324.424 3.264 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001323705561 1108057580 /nfs/dbraw/zinc/05/75/80/1108057580.db2.gz TTXVAOQXVBAUCA-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)=C1CCCC1)NCC#Cc1ccccc1 ZINC001318510585 1108070555 /nfs/dbraw/zinc/07/05/55/1108070555.db2.gz BFSSOARFRTYJNZ-FQEVSTJZSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC001323786823 1108083411 /nfs/dbraw/zinc/08/34/11/1108083411.db2.gz YXVGTTKFQIAADW-HXUWFJFHSA-N 0 3 324.424 3.438 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001323812309 1108091301 /nfs/dbraw/zinc/09/13/01/1108091301.db2.gz KKMQHZSXDIGNMM-PKOBYXMFSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1c(C)nsc1C ZINC001318554443 1108092134 /nfs/dbraw/zinc/09/21/34/1108092134.db2.gz HVAJEVFZWALEJM-AWEZNQCLSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1scnc1C ZINC001318571005 1108102698 /nfs/dbraw/zinc/10/26/98/1108102698.db2.gz UBBJKFPSMMWIBY-CJNGLKHVSA-N 0 3 309.479 3.038 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001323874799 1108110343 /nfs/dbraw/zinc/11/03/43/1108110343.db2.gz YWDQUZNHPLRKRM-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccccc1C)C1CC1 ZINC001318674093 1108148113 /nfs/dbraw/zinc/14/81/13/1108148113.db2.gz DPALIQSOVRBONT-KRWDZBQOSA-N 0 3 306.837 3.236 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(C)c(F)c1)C1CC1 ZINC001318708560 1108161409 /nfs/dbraw/zinc/16/14/09/1108161409.db2.gz YYXIQRHGURFTNL-KRWDZBQOSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1c(C)nsc1C ZINC001324167536 1108196003 /nfs/dbraw/zinc/19/60/03/1108196003.db2.gz NMCVNSTUZWMUSY-OAHLLOKOSA-N 0 3 321.490 3.197 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC001263805953 1108210063 /nfs/dbraw/zinc/21/00/63/1108210063.db2.gz ZFDCYWLVCWBAPC-OAHLLOKOSA-N 0 3 307.413 3.047 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1 ZINC001263808309 1108216577 /nfs/dbraw/zinc/21/65/77/1108216577.db2.gz ZTURWBCLHLOKAV-HKUYNNGSSA-N 0 3 312.457 3.474 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001263812107 1108219963 /nfs/dbraw/zinc/21/99/63/1108219963.db2.gz HPIOVWHEQFQQNA-DZGCQCFKSA-N 0 3 317.433 3.053 20 30 DGEDHN C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001324364418 1108265789 /nfs/dbraw/zinc/26/57/89/1108265789.db2.gz GYNCYNWNYDDICB-XLIONFOSSA-N 0 3 324.468 3.077 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H]2CCC)cc1 ZINC001318995464 1108268792 /nfs/dbraw/zinc/26/87/92/1108268792.db2.gz DBQMSRMUNVJLDG-MOPGFXCFSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](CC)CCC)cc1 ZINC001319006280 1108273969 /nfs/dbraw/zinc/27/39/69/1108273969.db2.gz LORNPDSXRQMLSA-GOSISDBHSA-N 0 3 300.446 3.242 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001263871895 1108273765 /nfs/dbraw/zinc/27/37/65/1108273765.db2.gz RGJCBBINRMJYFP-CTYIDZIISA-N 0 3 322.399 3.306 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)CCC(C)(C)C)cc1 ZINC001319005445 1108274198 /nfs/dbraw/zinc/27/41/98/1108274198.db2.gz CDKYRJLQCGXZHS-INIZCTEOSA-N 0 3 314.473 3.488 20 30 DGEDHN CC#CCNC[C@@H](NC(=O)CC1CC1)c1ccc2ccccc2c1 ZINC001324441093 1108289613 /nfs/dbraw/zinc/28/96/13/1108289613.db2.gz KPVAPWGDVCOPMX-HXUWFJFHSA-N 0 3 320.436 3.410 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cccnc1 ZINC001263946524 1108307393 /nfs/dbraw/zinc/30/73/93/1108307393.db2.gz UKHVWRWKDSPJSV-CJNGLKHVSA-N 0 3 321.852 3.055 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001324588415 1108361754 /nfs/dbraw/zinc/36/17/54/1108361754.db2.gz ISFQUGSPYOFCMO-IBGZPJMESA-N 0 3 311.429 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCC(F)F)C1 ZINC001264120565 1108383894 /nfs/dbraw/zinc/38/38/94/1108383894.db2.gz MXFUOXHQZWIKNY-LBPRGKRZSA-N 0 3 308.800 3.145 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001324633711 1108389063 /nfs/dbraw/zinc/38/90/63/1108389063.db2.gz VWMWGERSMYYMSX-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN C/C=C(/C)C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001319343216 1108423281 /nfs/dbraw/zinc/42/32/81/1108423281.db2.gz ZVWPMQOCSYXQNY-YPEHOIGNSA-N 0 3 310.441 3.023 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(CF)cc1 ZINC001264188347 1108423705 /nfs/dbraw/zinc/42/37/05/1108423705.db2.gz FAALXWRASZWAGQ-KRWDZBQOSA-N 0 3 304.409 3.269 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c(OC(F)F)c1 ZINC001319435500 1108465622 /nfs/dbraw/zinc/46/56/22/1108465622.db2.gz JGSJUPLFFUNSPU-UKRRQHHQSA-N 0 3 322.355 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001264368660 1108476806 /nfs/dbraw/zinc/47/68/06/1108476806.db2.gz JHLDWLDHUZVJNI-CQSZACIVSA-N 0 3 306.475 3.036 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001264370607 1108478955 /nfs/dbraw/zinc/47/89/55/1108478955.db2.gz GWMXGSOUHSTLOW-QUCCMNQESA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001264373582 1108486230 /nfs/dbraw/zinc/48/62/30/1108486230.db2.gz XBWNPHGNBJUTAL-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1C ZINC001264575343 1108576522 /nfs/dbraw/zinc/57/65/22/1108576522.db2.gz AWPUZPOKJUFRJW-RRCSTGOVSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C(C)(F)F)c1ccccc1CC ZINC001325363488 1108634049 /nfs/dbraw/zinc/63/40/49/1108634049.db2.gz UCFZFICDAVKNPR-HNNXBMFYSA-N 0 3 310.388 3.227 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@H](C)OC)[C@@H]2C)CCCCC1 ZINC001264732205 1108636216 /nfs/dbraw/zinc/63/62/16/1108636216.db2.gz ANKWSQYLQPCCEW-BBWFWOEESA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccccc1CC ZINC001264742000 1108641253 /nfs/dbraw/zinc/64/12/53/1108641253.db2.gz YKACMFAXVMGTQK-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)c1cccc(F)c1 ZINC001264745335 1108643308 /nfs/dbraw/zinc/64/33/08/1108643308.db2.gz BHDPDYJXEFZHDV-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccsc1 ZINC001264743215 1108643745 /nfs/dbraw/zinc/64/37/45/1108643745.db2.gz XBFJPQBPRWTVKC-HOCLYGCPSA-N 0 3 306.475 3.351 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001319898771 1108686246 /nfs/dbraw/zinc/68/62/46/1108686246.db2.gz LDSIZBXPVMVCSM-DMVFFGLYSA-N 0 3 312.457 3.125 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001319907098 1108690537 /nfs/dbraw/zinc/69/05/37/1108690537.db2.gz PUJAIATXTFLUNV-MJGOQNOKSA-N 0 3 314.473 3.205 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C(C)(C)c1ccccc1Cl ZINC001265060146 1108715035 /nfs/dbraw/zinc/71/50/35/1108715035.db2.gz XLJCPMZCBKECSM-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001265083799 1108725562 /nfs/dbraw/zinc/72/55/62/1108725562.db2.gz TUQJODFLTOQQAL-HIFRSBDPSA-N 0 3 309.841 3.048 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc(C)cc(Cl)c1)C1CC1 ZINC001265168763 1108757929 /nfs/dbraw/zinc/75/79/29/1108757929.db2.gz IRRCYCIBKPSYKQ-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H](C)c1cccc(C)c1)C1CC1 ZINC001265177210 1108759834 /nfs/dbraw/zinc/75/98/34/1108759834.db2.gz LLZFTGDIPYYYEU-KRWDZBQOSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001265229506 1108791386 /nfs/dbraw/zinc/79/13/86/1108791386.db2.gz ZBMRYHSOUSKZDI-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001265329394 1108829414 /nfs/dbraw/zinc/82/94/14/1108829414.db2.gz FMPHIUZGUDZQGW-PODYEWJSSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001265332724 1108830392 /nfs/dbraw/zinc/83/03/92/1108830392.db2.gz ZSGXJHSCDWRDHM-ZWKOTPCHSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2sc(C)nc2C)C1 ZINC001265442990 1108873150 /nfs/dbraw/zinc/87/31/50/1108873150.db2.gz MHWJWBXUIMIBDP-CABCVRRESA-N 0 3 321.490 3.053 20 30 DGEDHN CC#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001265517645 1108897013 /nfs/dbraw/zinc/89/70/13/1108897013.db2.gz IUFPKLXNOQNORJ-BNSPEDOLSA-N 0 3 308.853 3.044 20 30 DGEDHN Cc1cc(C)cc(CN2CCCC[C@@H]2CNC(=O)C#CC2CC2)c1 ZINC001265645541 1108945723 /nfs/dbraw/zinc/94/57/23/1108945723.db2.gz RIXGKCVZFSKACR-HXUWFJFHSA-N 0 3 324.468 3.188 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001265821626 1109016120 /nfs/dbraw/zinc/01/61/20/1109016120.db2.gz XCZUWDQDPMRPML-BEFAXECRSA-N 0 3 318.461 3.200 20 30 DGEDHN CC[C@@H](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001265936403 1109046409 /nfs/dbraw/zinc/04/64/09/1109046409.db2.gz QQLNKRWKBDHTSS-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN CC[C@H](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001265936402 1109046569 /nfs/dbraw/zinc/04/65/69/1109046569.db2.gz QQLNKRWKBDHTSS-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCCCC(=O)NCC[C@@H](C)NCc1cc(F)ccc1F ZINC001266169751 1109113795 /nfs/dbraw/zinc/11/37/95/1109113795.db2.gz GTFUCHJCUGCGMG-CQSZACIVSA-N 0 3 322.399 3.143 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(C(C)(C)C)s1)C1CC1 ZINC001266174768 1109115522 /nfs/dbraw/zinc/11/55/22/1109115522.db2.gz SZRBFSJZAJRRQW-UHFFFAOYSA-N 0 3 318.486 3.263 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001266195368 1109123414 /nfs/dbraw/zinc/12/34/14/1109123414.db2.gz UQFHGLJBYIQLID-QGZVFWFLSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001280127009 1109175789 /nfs/dbraw/zinc/17/57/89/1109175789.db2.gz IDERYYCBELRMRO-VQHPVUNQSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001280263980 1109182158 /nfs/dbraw/zinc/18/21/58/1109182158.db2.gz PUTHIEUUARJRKB-FVQBIDKESA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001280333969 1109187094 /nfs/dbraw/zinc/18/70/94/1109187094.db2.gz SUDAJJLQFXMIAK-UHFFFAOYSA-N 0 3 323.440 3.051 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2sccc2F)cc1 ZINC001280350096 1109188262 /nfs/dbraw/zinc/18/82/62/1109188262.db2.gz DBTMMSNPXNSYAH-LBPRGKRZSA-N 0 3 316.401 3.101 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1 ZINC001280354936 1109189299 /nfs/dbraw/zinc/18/92/99/1109189299.db2.gz WJBMJRRYIUONGJ-CRAIPNDOSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN(C)Cc1cc(F)cc(F)c1 ZINC001280806862 1109258092 /nfs/dbraw/zinc/25/80/92/1109258092.db2.gz ZCGGPUDRDLOQMF-UHFFFAOYSA-N 0 3 322.399 3.049 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CC1CC(F)(F)C1 ZINC001316606640 1109262489 /nfs/dbraw/zinc/26/24/89/1109262489.db2.gz WZBBSAKNXJBJPI-HOCLYGCPSA-N 0 3 314.420 3.167 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCCC(C)C)C2 ZINC001281088722 1109300742 /nfs/dbraw/zinc/30/07/42/1109300742.db2.gz VJPUMDPPTYLAET-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001316611320 1109362668 /nfs/dbraw/zinc/36/26/68/1109362668.db2.gz ZDNDINKHYOAYLD-ZWKOTPCHSA-N 0 3 318.436 3.066 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC(C2CC2)C2CC2)C(C)(C)C1 ZINC001281565879 1109381794 /nfs/dbraw/zinc/38/17/94/1109381794.db2.gz AFWGFYIKLYYAMF-GOSISDBHSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001281678177 1109395614 /nfs/dbraw/zinc/39/56/14/1109395614.db2.gz ZUBGDLQIXHWFJA-QAPCUYQASA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCC2CCCCC2)C[C@H]1C ZINC001281681429 1109395908 /nfs/dbraw/zinc/39/59/08/1109395908.db2.gz AXEYNWJRDBGFMG-AEFFLSMTSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCCCCC1 ZINC001281901556 1109414010 /nfs/dbraw/zinc/41/40/10/1109414010.db2.gz NCBSDXQWFMAVSW-WOJBJXKFSA-N 0 3 324.468 3.352 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1cccc(C)c1 ZINC001281955931 1109421889 /nfs/dbraw/zinc/42/18/89/1109421889.db2.gz SGKYTVQMEFQTDQ-FUHWJXTLSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1cccc(C)c1 ZINC001281955930 1109422096 /nfs/dbraw/zinc/42/20/96/1109422096.db2.gz SGKYTVQMEFQTDQ-AEFFLSMTSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)(C)CC(C)C)C1 ZINC001282066188 1109441006 /nfs/dbraw/zinc/44/10/06/1109441006.db2.gz IBAKMBCLZAHNOM-UHFFFAOYSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282455987 1109515571 /nfs/dbraw/zinc/51/55/71/1109515571.db2.gz VDQZJBQQKMUKMK-HNAYVOBHSA-N 0 3 313.445 3.097 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001282705769 1109554761 /nfs/dbraw/zinc/55/47/61/1109554761.db2.gz ICKHXENRGUIMIB-CQSZACIVSA-N 0 3 318.486 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001282726865 1109556930 /nfs/dbraw/zinc/55/69/30/1109556930.db2.gz VWCVTTPNYFCKDT-AWEZNQCLSA-N 0 3 320.864 3.204 20 30 DGEDHN C=CCCCC(=O)N1CC[C@]2(C1)CN(CCC(C)(C)C)CCO2 ZINC001282781595 1109564023 /nfs/dbraw/zinc/56/40/23/1109564023.db2.gz LXFFUAWXTBHSCJ-LJQANCHMSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C=C(/C)C3CC3)C[C@@H]2C1 ZINC001282941259 1109582010 /nfs/dbraw/zinc/58/20/10/1109582010.db2.gz WGPSXGQZSODJNK-JEVNOHHHSA-N 0 3 322.880 3.312 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C)nc1C ZINC001283652479 1109667013 /nfs/dbraw/zinc/66/70/13/1109667013.db2.gz FSACKBZPSNPNMP-HNNXBMFYSA-N 0 3 317.477 3.237 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001283663287 1109668387 /nfs/dbraw/zinc/66/83/87/1109668387.db2.gz BJTLXFFTZUPFRS-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001283964570 1109706686 /nfs/dbraw/zinc/70/66/86/1109706686.db2.gz LDVHAKZOCGPQFA-DZGCQCFKSA-N 0 3 306.837 3.385 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c3ccccc23)C1 ZINC001284013682 1109715144 /nfs/dbraw/zinc/71/51/44/1109715144.db2.gz JXFBTOXGGJRPKV-IRXDYDNUSA-N 0 3 320.436 3.364 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1c(F)cccc1F)C(C)C ZINC001284544152 1109808208 /nfs/dbraw/zinc/80/82/08/1109808208.db2.gz MIUSJHRHXVLOPK-CQSZACIVSA-N 0 3 324.415 3.423 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](CC)CCCCC)CC1 ZINC001284702276 1109844479 /nfs/dbraw/zinc/84/44/79/1109844479.db2.gz MBTMJINMHHTJBS-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C=C)c2ccccc2)CC1 ZINC001284702504 1109844700 /nfs/dbraw/zinc/84/47/00/1109844700.db2.gz POMCDVVDQRLFSZ-QZTJIDSGSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC(C)C)C1 ZINC001316641230 1110013919 /nfs/dbraw/zinc/01/39/19/1110013919.db2.gz IVIBNUXOAQAKFD-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001301882236 1111102930 /nfs/dbraw/zinc/10/29/30/1111102930.db2.gz QUACAMGZKOKFHA-HKUYNNGSSA-N 0 3 312.457 3.207 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001317298780 1111128189 /nfs/dbraw/zinc/12/81/89/1111128189.db2.gz LZNUASFZVSQVNN-LBPRGKRZSA-N 0 3 324.877 3.142 20 30 DGEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)[C@@H]1CCCc2ccccc21 ZINC001304066544 1111164354 /nfs/dbraw/zinc/16/43/54/1111164354.db2.gz LLOAWMIWHCNAQK-MBOZVWFJSA-N 0 3 324.468 3.399 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001316856252 1111238538 /nfs/dbraw/zinc/23/85/38/1111238538.db2.gz DTNNSGVXSQUMGP-IRXDYDNUSA-N 0 3 306.494 3.300 20 30 DGEDHN C[N@@H+]1CCCC[C@@H]1CCC(=O)N([O-])CCCCc1ccccc1 ZINC001306896316 1111247801 /nfs/dbraw/zinc/24/78/01/1111247801.db2.gz ROOSVJBECMTCIX-GOSISDBHSA-N 0 3 318.461 3.492 20 30 DGEDHN C[N@H+]1CCCC[C@@H]1CCC(=O)N([O-])CCCCc1ccccc1 ZINC001306896316 1111247804 /nfs/dbraw/zinc/24/78/04/1111247804.db2.gz ROOSVJBECMTCIX-GOSISDBHSA-N 0 3 318.461 3.492 20 30 DGEDHN Cc1cc(F)c(C#N)c(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001307069162 1111261385 /nfs/dbraw/zinc/26/13/85/1111261385.db2.gz QZBMLNLBEPDUQN-HUUCEWRRSA-N 0 3 319.424 3.307 20 30 DGEDHN COc1ccccc1CN(C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001307421439 1111298365 /nfs/dbraw/zinc/29/83/65/1111298365.db2.gz FIMBCQYVOSEQLD-LJQANCHMSA-N 0 3 322.408 3.265 20 30 DGEDHN C[C@H]1CCCC[C@@H]1OCCNCc1cc(C#N)ccc1N(C)C ZINC001308201213 1111396615 /nfs/dbraw/zinc/39/66/15/1111396615.db2.gz XKYRBJHNFQMWQV-KXBFYZLASA-N 0 3 315.461 3.309 20 30 DGEDHN C#Cc1cccc(CNCc2c[nH]nc2-c2ccccc2F)c1 ZINC001308436507 1111428649 /nfs/dbraw/zinc/42/86/49/1111428649.db2.gz URYRBCZAPCDOEV-UHFFFAOYSA-N 0 3 305.356 3.487 20 30 DGEDHN CC[C@H]1CCC[C@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC001308793803 1111475979 /nfs/dbraw/zinc/47/59/79/1111475979.db2.gz ZRWMMGWKBYEIFD-IRXDYDNUSA-N 0 3 312.461 3.292 20 30 DGEDHN C#CCC1(NCc2cc(C(=O)OC)c(CC)o2)CCCCC1 ZINC001308949333 1111498746 /nfs/dbraw/zinc/49/87/46/1111498746.db2.gz CUSXVIYMYYJVNL-UHFFFAOYSA-N 0 3 303.402 3.444 20 30 DGEDHN C=CCCC(=O)NCCN(CC)Cc1cc2ccccc2o1 ZINC001317477382 1111520778 /nfs/dbraw/zinc/52/07/78/1111520778.db2.gz OAYDEZZFCZRLBR-UHFFFAOYSA-N 0 3 300.402 3.337 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001317481162 1111552035 /nfs/dbraw/zinc/55/20/35/1111552035.db2.gz BGZCFGNGVFPTHX-UHFFFAOYSA-N 0 3 301.434 3.007 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001312761308 1111671634 /nfs/dbraw/zinc/67/16/34/1111671634.db2.gz GWCBZYTUEHHVDN-UHFFFAOYSA-N 0 3 317.477 3.362 20 30 DGEDHN CCCN(CCNC(=O)C1CCCC1)Cc1cccc(C#N)c1 ZINC001317539714 1111698984 /nfs/dbraw/zinc/69/89/84/1111698984.db2.gz YXYPLCYGWAOXQQ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCCC)C[C@@H]2C1 ZINC001316760798 1111759570 /nfs/dbraw/zinc/75/95/70/1111759570.db2.gz POEHPNOCCGDVPF-OTWHNJEPSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)[C@H]1C ZINC001316795249 1111769613 /nfs/dbraw/zinc/76/96/13/1111769613.db2.gz RJPBAGWVZDMZDB-NJAFHUGGSA-N 0 3 300.446 3.020 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC[C@@H]2CCc3ccccc32)[C@H]1C ZINC001316799558 1111770670 /nfs/dbraw/zinc/77/06/70/1111770670.db2.gz VYTSZGSGDVONAA-AYBZRNKSSA-N 0 3 312.457 3.262 20 30 DGEDHN C#CCCCC(=O)NCCCN(C)Cc1ccc(F)c(Cl)c1 ZINC001316819916 1111777443 /nfs/dbraw/zinc/77/74/43/1111777443.db2.gz QKJATXWHCPBPKH-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN CC[C@H](NCCNC(=O)c1cccc(C)c1)c1ccc(C#N)cc1 ZINC000278271422 214059790 /nfs/dbraw/zinc/05/97/90/214059790.db2.gz PDQXUJYCVDCBIA-IBGZPJMESA-N 0 3 321.424 3.337 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000278649186 214301269 /nfs/dbraw/zinc/30/12/69/214301269.db2.gz AKYZFBTUNTWZEK-HZPDHXFCSA-N 0 3 313.401 3.247 20 30 DGEDHN CC[C@]1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435130680 529400574 /nfs/dbraw/zinc/40/05/74/529400574.db2.gz UGKXBCRJABEGHN-LJQANCHMSA-N 0 3 323.444 3.481 20 30 DGEDHN C[C@@H]1[C@@H](NCc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000309820461 231104575 /nfs/dbraw/zinc/10/45/75/231104575.db2.gz PJFCCOVFHMDGIH-KDOFPFPSSA-N 0 3 311.454 3.372 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCC[C@H]1CN(C)C)c1ccccc1 ZINC000129380070 432004682 /nfs/dbraw/zinc/00/46/82/432004682.db2.gz OEKAIKWKNIDKKN-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN CCc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)c(C)n1 ZINC000184548096 529611828 /nfs/dbraw/zinc/61/18/28/529611828.db2.gz FJFYSWMDNQQLHY-OAHLLOKOSA-N 0 3 318.380 3.329 20 30 DGEDHN CC[C@H](C)CN(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000177851790 529657561 /nfs/dbraw/zinc/65/75/61/529657561.db2.gz QWQVIDBOJPILOU-INIZCTEOSA-N 0 3 301.434 3.301 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000346515638 529648847 /nfs/dbraw/zinc/64/88/47/529648847.db2.gz BXKCHXSZSVQJBX-WFASDCNBSA-N 0 3 319.836 3.332 20 30 DGEDHN COCCc1nc(C)c([C@H](C)NCc2cccc(C#N)c2)s1 ZINC000092738598 185337693 /nfs/dbraw/zinc/33/76/93/185337693.db2.gz ASCLWYZYTTUKRA-LBPRGKRZSA-N 0 3 315.442 3.363 20 30 DGEDHN CN(CCCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000174865272 529880799 /nfs/dbraw/zinc/88/07/99/529880799.db2.gz MSXIUCSCZXTFTD-QGZVFWFLSA-N 0 3 313.445 3.444 20 30 DGEDHN CN(Cc1ccc(CC#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000343518222 529984422 /nfs/dbraw/zinc/98/44/22/529984422.db2.gz YMZQXAXIAUSJML-FQEVSTJZSA-N 0 3 306.409 3.498 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C(=O)C(C#N)CCc1ccccc1 ZINC000433223872 529992961 /nfs/dbraw/zinc/99/29/61/529992961.db2.gz UNWMRVNTHSOKPL-LJQANCHMSA-N 0 3 317.392 3.289 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000129941751 432011443 /nfs/dbraw/zinc/01/14/43/432011443.db2.gz YEMSTVJYEAXSFM-RDJZCZTQSA-N 0 3 305.466 3.086 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cccc(C#N)c2)C1 ZINC000066473430 432016342 /nfs/dbraw/zinc/01/63/42/432016342.db2.gz BNWNPTFCXBZUKN-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104704803 432017033 /nfs/dbraw/zinc/01/70/33/432017033.db2.gz UGZMMKTVNADPCQ-DYVFJYSZSA-N 0 3 317.408 3.017 20 30 DGEDHN CCN(C(=O)CN1CCC(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000126607054 185878153 /nfs/dbraw/zinc/87/81/53/185878153.db2.gz HFBDNBZWJSOSON-INIZCTEOSA-N 0 3 313.445 3.200 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000106261739 432020414 /nfs/dbraw/zinc/02/04/14/432020414.db2.gz GKUUIRVFPYALJC-MRXNPFEDSA-N 0 3 315.461 3.396 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC)CC(CC)CC)CC1 ZINC000106275562 432020900 /nfs/dbraw/zinc/02/09/00/432020900.db2.gz SXGMJNOCTPXRPU-UHFFFAOYSA-N 0 3 309.498 3.495 20 30 DGEDHN CC[S@@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181865199 186212064 /nfs/dbraw/zinc/21/20/64/186212064.db2.gz WDIXPPZOYAYIPK-YCFGMDTISA-N 0 3 304.459 3.289 20 30 DGEDHN COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000181911787 186218081 /nfs/dbraw/zinc/21/80/81/186218081.db2.gz KUPXEFMXFPZNRO-LIRRHRJNSA-N 0 3 310.397 3.341 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265152489 186341986 /nfs/dbraw/zinc/34/19/86/186341986.db2.gz BUFCBALLXKCSKZ-UHFFFAOYSA-N 0 3 324.350 3.424 20 30 DGEDHN C[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000277196356 213358598 /nfs/dbraw/zinc/35/85/98/213358598.db2.gz JBXQGVLZGUEKGB-NWDGAFQWSA-N 0 3 321.396 3.261 20 30 DGEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000277090495 213287394 /nfs/dbraw/zinc/28/73/94/213287394.db2.gz YXGBCCDGADEWFK-LSDHHAIUSA-N 0 3 323.234 3.368 20 30 DGEDHN N#CC1(CCCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCOCC1 ZINC000368092914 283043635 /nfs/dbraw/zinc/04/36/35/283043635.db2.gz OACRIGZLFZHLHG-DLBZAZTESA-N 0 3 318.461 3.120 20 30 DGEDHN N#CCSCCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548424 283053920 /nfs/dbraw/zinc/05/39/20/283053920.db2.gz NAZQHSYREJTRPJ-OAHLLOKOSA-N 0 3 319.430 3.421 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC3(CC2)OCCc2ccsc23)C1 ZINC000339078555 283057905 /nfs/dbraw/zinc/05/79/05/283057905.db2.gz FRRGKNKPSDKAIJ-UKRRQHHQSA-N 0 3 302.443 3.304 20 30 DGEDHN N#Cc1c(Cl)nsc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000269430556 283074202 /nfs/dbraw/zinc/07/42/02/283074202.db2.gz PHROTELLMGXDJA-GXFFZTMASA-N 0 3 322.865 3.121 20 30 DGEDHN N#Cc1c(NC[C@H](c2ccco2)N2CCCC2)nc2ccccn12 ZINC000272949140 283080686 /nfs/dbraw/zinc/08/06/86/283080686.db2.gz XBXHPJJHICPWLB-OAHLLOKOSA-N 0 3 321.384 3.048 20 30 DGEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)s1 ZINC000291705924 283140165 /nfs/dbraw/zinc/14/01/65/283140165.db2.gz ZJWYGCQFEAPFTP-HNNXBMFYSA-N 0 3 309.438 3.257 20 30 DGEDHN CC(C)(C)CC(C)(C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512610 192277259 /nfs/dbraw/zinc/27/72/59/192277259.db2.gz LYMWHSRCXFKLAO-UHFFFAOYSA-N 0 3 322.474 3.136 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000286352034 283248716 /nfs/dbraw/zinc/24/87/16/283248716.db2.gz WNNYKDUYCCYHAZ-UHFFFAOYSA-N 0 3 317.408 3.035 20 30 DGEDHN Cn1cc(CNCc2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000180032203 432076597 /nfs/dbraw/zinc/07/65/97/432076597.db2.gz RCCSELVEBOFIEQ-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCSC2(CCOCC2)C1 ZINC000187728152 200149919 /nfs/dbraw/zinc/14/99/19/200149919.db2.gz ZYQYTKPXGPHOOZ-CQSZACIVSA-N 0 3 302.443 3.217 20 30 DGEDHN CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)N(CC)CC ZINC000281080510 216065265 /nfs/dbraw/zinc/06/52/65/216065265.db2.gz COUGXKLHCCHNRK-KRWDZBQOSA-N 0 3 314.433 3.191 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(F)c1 ZINC000134887846 432087809 /nfs/dbraw/zinc/08/78/09/432087809.db2.gz KKVVMJKTTJOJOS-APWZRJJASA-N 0 3 313.420 3.146 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000424090109 237880081 /nfs/dbraw/zinc/88/00/81/237880081.db2.gz JZNPWYUMSABJHF-DLBZAZTESA-N 0 3 317.408 3.194 20 30 DGEDHN Cc1cc(C(C)(C)NC(=O)C(C)C#N)ccc1Br ZINC000428135734 238009969 /nfs/dbraw/zinc/00/99/69/238009969.db2.gz ROXSUJQPOCPNOM-JTQLQIEISA-N 0 3 309.207 3.269 20 30 DGEDHN Cc1nn(Cc2ccccc2)c(C)c1CNCC1(CC#N)CC1 ZINC000430066954 238065385 /nfs/dbraw/zinc/06/53/85/238065385.db2.gz SCKYKFVQWRJYIZ-UHFFFAOYSA-N 0 3 308.429 3.332 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000433117282 238147571 /nfs/dbraw/zinc/14/75/71/238147571.db2.gz UCMAVRXNAQNQEM-GOSISDBHSA-N 0 3 304.393 3.344 20 30 DGEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCSC1 ZINC000433186547 238149696 /nfs/dbraw/zinc/14/96/96/238149696.db2.gz KBSJSJFIMIZJOT-HNNXBMFYSA-N 0 3 308.422 3.041 20 30 DGEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCCSC1 ZINC000433206364 238150922 /nfs/dbraw/zinc/15/09/22/238150922.db2.gz HJKJOFZOPQPZOV-KRWDZBQOSA-N 0 3 304.459 3.211 20 30 DGEDHN COCc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433234116 238151922 /nfs/dbraw/zinc/15/19/22/238151922.db2.gz QOWIUUKTCQEMNS-IBGZPJMESA-N 0 3 322.408 3.222 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NCC2=CCN(C)CC2)c1 ZINC000272012684 209382358 /nfs/dbraw/zinc/38/23/58/209382358.db2.gz KAYFHMIDMOWZNG-UHFFFAOYSA-N 0 3 315.417 3.025 20 30 DGEDHN COc1cccc([C@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271969318 209347754 /nfs/dbraw/zinc/34/77/54/209347754.db2.gz UAMOFEUEDSDWHB-KPZWWZAWSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@H](NC[C@@](C)(O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000271957538 209340690 /nfs/dbraw/zinc/34/06/90/209340690.db2.gz QJGODTANPLEWCR-MEDUHNTESA-N 0 3 304.390 3.317 20 30 DGEDHN C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271957496 209339702 /nfs/dbraw/zinc/33/97/02/209339702.db2.gz QHWFXSIUQMCXEW-CZUORRHYSA-N 0 3 318.392 3.424 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCO[C@H]21 ZINC000271913563 209319594 /nfs/dbraw/zinc/31/95/94/209319594.db2.gz YLAOLYBBHIJRIR-ARFHVFGLSA-N 0 3 323.358 3.460 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435754437 238347196 /nfs/dbraw/zinc/34/71/96/238347196.db2.gz WWGLXMXAGJQUPF-RKDXNWHRSA-N 0 3 317.336 3.028 20 30 DGEDHN CN(CCCOCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000281475463 216325974 /nfs/dbraw/zinc/32/59/74/216325974.db2.gz SAYNIHQPFAYLLW-HXUWFJFHSA-N 0 3 324.424 3.130 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccs1 ZINC000194565770 201252207 /nfs/dbraw/zinc/25/22/07/201252207.db2.gz XUCCPMXJUAXVJW-GOEBONIOSA-N 0 3 316.426 3.100 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000442793770 239125106 /nfs/dbraw/zinc/12/51/06/239125106.db2.gz RZQNZOMGAULGML-YJBOKZPZSA-N 0 3 320.396 3.116 20 30 DGEDHN COc1cc(CN2CCCN(c3ccccc3)CC2)ccc1C#N ZINC000442816498 239130878 /nfs/dbraw/zinc/13/08/78/239130878.db2.gz XRIJTWGNHDOXHR-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000443059487 239167543 /nfs/dbraw/zinc/16/75/43/239167543.db2.gz CGUADGKBQVGGCM-IBGZPJMESA-N 0 3 324.424 3.256 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000268533442 432100617 /nfs/dbraw/zinc/10/06/17/432100617.db2.gz JCIDTKIYWFQXCG-AWEZNQCLSA-N 0 3 311.372 3.135 20 30 DGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271828737 209248839 /nfs/dbraw/zinc/24/88/39/209248839.db2.gz PHVJFCCDBNBFGW-LBPRGKRZSA-N 0 3 323.371 3.067 20 30 DGEDHN C=CCOc1cccc(CNC2(C(=O)N(C)C)CCCCC2)c1 ZINC000449462286 240220400 /nfs/dbraw/zinc/22/04/00/240220400.db2.gz TVXVKBIXZQIUGZ-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN COCCOc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000449733607 240389715 /nfs/dbraw/zinc/38/97/15/240389715.db2.gz IXPPVBYMJKFXAA-UHFFFAOYSA-N 0 3 314.360 3.012 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1=O ZINC000451354790 241094573 /nfs/dbraw/zinc/09/45/73/241094573.db2.gz ODUHYAAXDBKSOZ-JKSUJKDBSA-N 0 3 322.811 3.307 20 30 DGEDHN CCN(CCC#N)C(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451193050 241040379 /nfs/dbraw/zinc/04/03/79/241040379.db2.gz XBGHVNBSPRNVDC-NUJGCVRESA-N 0 3 313.445 3.015 20 30 DGEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2Br)C1(C)C ZINC000451491194 241141064 /nfs/dbraw/zinc/14/10/64/241141064.db2.gz ISLINKKENGSVTR-UONOGXRCSA-N 0 3 323.234 3.224 20 30 DGEDHN N#Cc1c(F)cccc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451624669 241194557 /nfs/dbraw/zinc/19/45/57/241194557.db2.gz FZLYIBGZVHJTGW-AEFFLSMTSA-N 0 3 314.404 3.478 20 30 DGEDHN CCOc1cccc(CN(CCO)Cc2ccc(CC#N)cc2)c1 ZINC000452047420 241305322 /nfs/dbraw/zinc/30/53/22/241305322.db2.gz NDBKLSAIOGRHMB-UHFFFAOYSA-N 0 3 324.424 3.146 20 30 DGEDHN Cc1cccc(CCCN2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000181006900 432110415 /nfs/dbraw/zinc/11/04/15/432110415.db2.gz OCMWZAYVBNNPQE-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN Cc1cccc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1C ZINC000271789431 209218155 /nfs/dbraw/zinc/21/81/55/209218155.db2.gz NFGBRJCPRAKREP-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OCC#N)cc2)C12CCC2 ZINC000268616048 432111389 /nfs/dbraw/zinc/11/13/89/432111389.db2.gz ACIJFXBBNPJYDB-QZTJIDSGSA-N 0 3 314.429 3.368 20 30 DGEDHN C=CCC[C@@H](NC(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000454697356 242013103 /nfs/dbraw/zinc/01/31/03/242013103.db2.gz JEDMEHTVAQLVEK-KURKYZTESA-N 0 3 313.445 3.039 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000268632237 432113237 /nfs/dbraw/zinc/11/32/37/432113237.db2.gz KVZSYQOMFJUIHL-RHSMWYFYSA-N 0 3 305.418 3.168 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000455960614 242319432 /nfs/dbraw/zinc/31/94/32/242319432.db2.gz XFAWJNBIJOJKNR-AWEZNQCLSA-N 0 3 314.433 3.061 20 30 DGEDHN Cc1nc(C[C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000246277844 432114790 /nfs/dbraw/zinc/11/47/90/432114790.db2.gz CAZDSSCFGOEDGH-CJNGLKHVSA-N 0 3 310.401 3.265 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459312294 243331013 /nfs/dbraw/zinc/33/10/13/243331013.db2.gz YSGALVVHXFOVCK-UHFFFAOYSA-N 0 3 322.412 3.343 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000268671923 432117736 /nfs/dbraw/zinc/11/77/36/432117736.db2.gz KKNVLZHSQIIICH-QFBILLFUSA-N 0 3 310.372 3.220 20 30 DGEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000190046086 432118146 /nfs/dbraw/zinc/11/81/46/432118146.db2.gz LAFFNDBBGLQQDI-JKSUJKDBSA-N 0 3 317.458 3.151 20 30 DGEDHN C[C@@H](CCC1CCCCC1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115601326 284114946 /nfs/dbraw/zinc/11/49/46/284114946.db2.gz MTOKXHVGOIKTJV-KSSFIOAISA-N 0 3 313.445 3.423 20 30 DGEDHN N#Cc1ccccc1N1CCCN(CCc2ccccc2F)CC1 ZINC000469056239 244080879 /nfs/dbraw/zinc/08/08/79/244080879.db2.gz SGBQNIUETBECPU-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN CC(C)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000473161412 244328423 /nfs/dbraw/zinc/32/84/23/244328423.db2.gz BREHWMZGQISDRU-QZTJIDSGSA-N 0 3 309.413 3.135 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000474078243 244367294 /nfs/dbraw/zinc/36/72/94/244367294.db2.gz ADMFQYCCHWGZPY-UHFFFAOYSA-N 0 3 321.440 3.255 20 30 DGEDHN CC[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000123650625 284243069 /nfs/dbraw/zinc/24/30/69/284243069.db2.gz IIZOBMVPXJMTHD-LJQANCHMSA-N 0 3 312.388 3.470 20 30 DGEDHN Cc1c2c(nc(SCCN3CCCCC3)c1C#N)CCC2 ZINC000488761507 245231306 /nfs/dbraw/zinc/23/13/06/245231306.db2.gz BKYSWVCETUBPAM-UHFFFAOYSA-N 0 3 301.459 3.328 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000265029170 204352443 /nfs/dbraw/zinc/35/24/43/204352443.db2.gz CWONLJLUQMBJQD-ZDUSSCGKSA-N 0 3 324.877 3.314 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000181540521 432134081 /nfs/dbraw/zinc/13/40/81/432134081.db2.gz YKGFUCMKOSJTMI-AWEZNQCLSA-N 0 3 317.396 3.298 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000494283728 246131972 /nfs/dbraw/zinc/13/19/72/246131972.db2.gz YGHJJZCFQXYHBZ-GUYCJALGSA-N 0 3 320.458 3.060 20 30 DGEDHN C[C@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000494606242 246170155 /nfs/dbraw/zinc/17/01/55/246170155.db2.gz FQZBCUWLBFNXGB-AWEZNQCLSA-N 0 3 321.380 3.366 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1F)CCC(F)(F)F ZINC000494851081 246201893 /nfs/dbraw/zinc/20/18/93/246201893.db2.gz XEDDBGFHNHHDRZ-UHFFFAOYSA-N 0 3 317.330 3.061 20 30 DGEDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000495136504 246238509 /nfs/dbraw/zinc/23/85/09/246238509.db2.gz CLYRAZAYUKZJFV-UHFFFAOYSA-N 0 3 317.433 3.051 20 30 DGEDHN CN(C)C(=O)OC[C@H]1CCCCN1CCCCC(C)(C)C#N ZINC000495689633 246297386 /nfs/dbraw/zinc/29/73/86/246297386.db2.gz USRNUSPKNBJALQ-OAHLLOKOSA-N 0 3 309.454 3.259 20 30 DGEDHN CC[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000496219076 246367621 /nfs/dbraw/zinc/36/76/21/246367621.db2.gz PVRCJVAPSGPKIO-AWEZNQCLSA-N 0 3 321.396 3.090 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000496056224 246346894 /nfs/dbraw/zinc/34/68/94/246346894.db2.gz ZYYWIUILTSBJIU-UONOGXRCSA-N 0 3 317.433 3.464 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(F)c(C)c2)CC1 ZINC000267713285 206235411 /nfs/dbraw/zinc/23/54/11/206235411.db2.gz KXJIUSUGTGLVIA-CQSZACIVSA-N 0 3 319.424 3.145 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCc3c2cnn3C)cc1 ZINC000268809875 432138671 /nfs/dbraw/zinc/13/86/71/432138671.db2.gz KNCTXIBVGFJWOZ-RDTXWAMCSA-N 0 3 309.413 3.160 20 30 DGEDHN C=CCCc1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000273878987 211136570 /nfs/dbraw/zinc/13/65/70/211136570.db2.gz OGKISQLIRWPEQR-CYBMUJFWSA-N 0 3 301.371 3.211 20 30 DGEDHN CCN(CC)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000076673640 284755901 /nfs/dbraw/zinc/75/59/01/284755901.db2.gz IUOYRXDOPMWGOL-INIZCTEOSA-N 0 3 301.434 3.280 20 30 DGEDHN C[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271936628 209338354 /nfs/dbraw/zinc/33/83/54/209338354.db2.gz KGVHRKDXULWWBP-NXEZZACHSA-N 0 3 304.287 3.315 20 30 DGEDHN COc1cc(CN[C@H]2CCCC[C@H]2OC(F)F)ccc1C#N ZINC000337274956 253076124 /nfs/dbraw/zinc/07/61/24/253076124.db2.gz DMSQGTFMXRILAA-UONOGXRCSA-N 0 3 310.344 3.207 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337399477 253107354 /nfs/dbraw/zinc/10/73/54/253107354.db2.gz JWAYCWDCIGRJFH-UKRRQHHQSA-N 0 3 310.344 3.207 20 30 DGEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)cc(OC)c1OC ZINC000430740860 533114083 /nfs/dbraw/zinc/11/40/83/533114083.db2.gz LBXWACPJGAHSQS-GFCCVEGCSA-N 0 3 304.390 3.057 20 30 DGEDHN CN(C)CCN(Cc1cccs1)c1nccc(C#N)c1Cl ZINC000342677850 254031172 /nfs/dbraw/zinc/03/11/72/254031172.db2.gz LYQYJRCUUWIVLX-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN Cc1ccccc1C[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000343465698 254147938 /nfs/dbraw/zinc/14/79/38/254147938.db2.gz JFEVLTAJEDUDTK-RHSMWYFYSA-N 0 3 312.388 3.260 20 30 DGEDHN CCC(CC)CN(CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000343600778 254166149 /nfs/dbraw/zinc/16/61/49/254166149.db2.gz PGFQEALUDVUBTF-HNNXBMFYSA-N 0 3 319.474 3.483 20 30 DGEDHN CC(C)n1nccc1[C@H]1OCC[C@H]1NCc1ccc(C#N)s1 ZINC000343396113 254137288 /nfs/dbraw/zinc/13/72/88/254137288.db2.gz HXNGVISQGMFFNB-ZBFHGGJFSA-N 0 3 316.430 3.017 20 30 DGEDHN CCCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000343682922 254177185 /nfs/dbraw/zinc/17/71/85/254177185.db2.gz ZXCJAWVPIMYHBX-NSHDSACASA-N 0 3 305.447 3.167 20 30 DGEDHN CC(C)(C)[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000344166356 254234587 /nfs/dbraw/zinc/23/45/87/254234587.db2.gz RYRPGTFHQRSPNI-HNNXBMFYSA-N 0 3 310.401 3.476 20 30 DGEDHN COc1ccc(CCNCc2ccc(C#N)cc2F)cc1F ZINC000344189142 254237197 /nfs/dbraw/zinc/23/71/97/254237197.db2.gz YLLGSAAKCRFHIS-UHFFFAOYSA-N 0 3 302.324 3.177 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000344345830 254260151 /nfs/dbraw/zinc/26/01/51/254260151.db2.gz FXOQDZBNDLUDDY-UHFFFAOYSA-N 0 3 312.388 3.388 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000344370948 254262762 /nfs/dbraw/zinc/26/27/62/254262762.db2.gz ONSKEWZIFXTEMD-HNNXBMFYSA-N 0 3 311.404 3.307 20 30 DGEDHN COC[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000093337621 533136059 /nfs/dbraw/zinc/13/60/59/533136059.db2.gz WIVZYACORWEXRO-KRWDZBQOSA-N 0 3 302.418 3.228 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC000345352088 254356175 /nfs/dbraw/zinc/35/61/75/254356175.db2.gz JRJJKYZVVBOPKQ-KRWDZBQOSA-N 0 3 308.429 3.155 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000193072584 291936533 /nfs/dbraw/zinc/93/65/33/291936533.db2.gz RCQYKLRDMZPYDQ-SJORKVTESA-N 0 3 312.461 3.241 20 30 DGEDHN CCOc1cccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000271613489 209060798 /nfs/dbraw/zinc/06/07/98/209060798.db2.gz AGEDXDHZKLLWEF-LIRRHRJNSA-N 0 3 310.397 3.341 20 30 DGEDHN COc1ccc(C(=O)NCCN2CCCC(C)(C)C2)c(OC)c1 ZINC000331009112 533222897 /nfs/dbraw/zinc/22/28/97/533222897.db2.gz YVGLQNMALUOISL-UHFFFAOYSA-N 0 3 320.433 3.130 20 30 DGEDHN CO[C@]1(C)C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1(C)C ZINC000433369395 533372893 /nfs/dbraw/zinc/37/28/93/533372893.db2.gz WOEGPRQFTVAIKA-GPMSIDNRSA-N 0 3 314.429 3.079 20 30 DGEDHN C[C@@H](CC(=O)c1ccco1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433375514 533459187 /nfs/dbraw/zinc/45/91/87/533459187.db2.gz LOJMQNWBBMSLNM-GOEBONIOSA-N 0 3 324.380 3.130 20 30 DGEDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000321267580 533399403 /nfs/dbraw/zinc/39/94/03/533399403.db2.gz GRSQAOPASAJQMX-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN COc1cc(C)c(C[C@H](C)N[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000337497151 533575584 /nfs/dbraw/zinc/57/55/84/533575584.db2.gz JKWIVGYKVZYQPY-LZWOXQAQSA-N 0 3 302.418 3.225 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600523751 400087572 /nfs/dbraw/zinc/08/75/72/400087572.db2.gz VAMRJOZUWOGRHY-YMTOWFKASA-N 0 3 301.777 3.475 20 30 DGEDHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000066473516 400093373 /nfs/dbraw/zinc/09/33/73/400093373.db2.gz LSPGMOIXBNVMRG-KDOFPFPSSA-N 0 3 301.434 3.127 20 30 DGEDHN CC[C@@H](CCc1ccccc1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000600604547 400105438 /nfs/dbraw/zinc/10/54/38/400105438.db2.gz CHOKLNFQROJJEI-OALUTQOASA-N 0 3 321.424 3.086 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000303792739 400113970 /nfs/dbraw/zinc/11/39/70/400113970.db2.gz VELNQZHMJSRWRE-ROUUACIJSA-N 0 3 312.457 3.373 20 30 DGEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1F ZINC000595255454 400113913 /nfs/dbraw/zinc/11/39/13/400113913.db2.gz XUTZAYKMNMAQBO-HOTGVXAUSA-N 0 3 305.397 3.050 20 30 DGEDHN CC(C)c1ccc2c(c1)CN(C(=O)[C@H](N)CCCCC#N)CC2 ZINC000595255200 400114561 /nfs/dbraw/zinc/11/45/61/400114561.db2.gz BFUSLYSCGYIANG-GOSISDBHSA-N 0 3 313.445 3.106 20 30 DGEDHN N#CC(C(=O)Nc1cccnc1)c1nc2cc(F)ccc2s1 ZINC000609627368 400182786 /nfs/dbraw/zinc/18/27/86/400182786.db2.gz FDSBAYDENROVJZ-LLVKDONJSA-N 0 3 312.329 3.076 20 30 DGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc(C(C)(C)C)ccc1C#N ZINC000588071885 400185541 /nfs/dbraw/zinc/18/55/41/400185541.db2.gz MNZHHSOGWPYINS-GOEBONIOSA-N 0 3 312.461 3.314 20 30 DGEDHN N#C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000595312980 400125730 /nfs/dbraw/zinc/12/57/30/400125730.db2.gz QNFSOOZQXFQYIO-IRXDYDNUSA-N 0 3 303.837 3.465 20 30 DGEDHN CC(C)(NCCc1ccc(C#N)cc1)C(=O)Nc1ccccc1 ZINC000595380112 400136738 /nfs/dbraw/zinc/13/67/38/400136738.db2.gz KAYRFKBNPJAOHZ-UHFFFAOYSA-N 0 3 307.397 3.108 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000595424343 400145954 /nfs/dbraw/zinc/14/59/54/400145954.db2.gz HMWMOBJKDXXYTP-IBGZPJMESA-N 0 3 310.372 3.393 20 30 DGEDHN N#Cc1cccc(OCCN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609234005 400152944 /nfs/dbraw/zinc/15/29/44/400152944.db2.gz LLKXCOGKOJHZJQ-HXUWFJFHSA-N 0 3 322.408 3.401 20 30 DGEDHN C[C@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCCC[C@H]1C ZINC000595447861 400153852 /nfs/dbraw/zinc/15/38/52/400153852.db2.gz GEXOQOVWDSVVNC-HZPDHXFCSA-N 0 3 320.481 3.023 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000616758945 400220213 /nfs/dbraw/zinc/22/02/13/400220213.db2.gz VCINONPJCMDQAJ-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN C=CC[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000595658677 400221037 /nfs/dbraw/zinc/22/10/37/400221037.db2.gz HBUSJKMGZHZMHR-OAHLLOKOSA-N 0 3 300.402 3.234 20 30 DGEDHN C[C@H](NC(=O)CCCCCC#N)[C@H](c1ccccc1)N(C)C ZINC000588683575 400221678 /nfs/dbraw/zinc/22/16/78/400221678.db2.gz XRJXPAVLQAGLMD-MAUKXSAKSA-N 0 3 301.434 3.268 20 30 DGEDHN CN(C)CCOc1cccc(NC(=O)CCCCCC#N)c1 ZINC000588750162 400226056 /nfs/dbraw/zinc/22/60/56/400226056.db2.gz CWNWAIYKAQPQBS-UHFFFAOYSA-N 0 3 303.406 3.040 20 30 DGEDHN CN(C)C[C@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 ZINC000588769743 400228927 /nfs/dbraw/zinc/22/89/27/400228927.db2.gz RPAUNQBBTWRAKB-INIZCTEOSA-N 0 3 305.397 3.019 20 30 DGEDHN Cc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC000601104912 400233789 /nfs/dbraw/zinc/23/37/89/400233789.db2.gz MDPNUTPTYZJGEQ-UHFFFAOYSA-N 0 3 324.403 3.159 20 30 DGEDHN N#CCCCCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000588883946 400237068 /nfs/dbraw/zinc/23/70/68/400237068.db2.gz RSWJNVOUHSAPQF-KRWDZBQOSA-N 0 3 311.429 3.472 20 30 DGEDHN COc1ccc(CN(C)C)cc1NC(=O)CCCCCC#N ZINC000588870247 400237578 /nfs/dbraw/zinc/23/75/78/400237578.db2.gz WHNJITFTGIGZCE-UHFFFAOYSA-N 0 3 303.406 3.169 20 30 DGEDHN C=CCC1(NCc2nc3cc(C(=O)OC)ccc3[nH]2)CCCC1 ZINC000595780472 400256721 /nfs/dbraw/zinc/25/67/21/400256721.db2.gz SOVMCUPQYTZZPB-UHFFFAOYSA-N 0 3 313.401 3.328 20 30 DGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1COCCO1 ZINC000595735430 400246260 /nfs/dbraw/zinc/24/62/60/400246260.db2.gz IHONNYSRYRPVOQ-IBGZPJMESA-N 0 3 322.408 3.072 20 30 DGEDHN N#CCCCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000588250618 400205615 /nfs/dbraw/zinc/20/56/15/400205615.db2.gz RGPRLLDSKJCABM-SFHVURJKSA-N 0 3 313.445 3.414 20 30 DGEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000610002054 400205981 /nfs/dbraw/zinc/20/59/81/400205981.db2.gz YSOMWZNIQPJOQF-JKSUJKDBSA-N 0 3 305.466 3.230 20 30 DGEDHN CSc1ccccc1NC(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595614389 400206106 /nfs/dbraw/zinc/20/61/06/400206106.db2.gz HIAOFVRYYGLCPG-CQSZACIVSA-N 0 3 317.458 3.363 20 30 DGEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000610157742 400217068 /nfs/dbraw/zinc/21/70/68/400217068.db2.gz ICRVCWJTPIUXKZ-INIZCTEOSA-N 0 3 301.434 3.007 20 30 DGEDHN CCN(CC)Cc1cccc(NC(=O)c2cccc(C#N)n2)c1 ZINC000589298591 400286411 /nfs/dbraw/zinc/28/64/11/400286411.db2.gz GCJZNTWSGHZDMY-UHFFFAOYSA-N 0 3 308.385 3.047 20 30 DGEDHN CN1Cc2ccccc2[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000589343771 400291267 /nfs/dbraw/zinc/29/12/67/400291267.db2.gz VSXBVMFCYFVBCR-UXHICEINSA-N 0 3 303.409 3.322 20 30 DGEDHN C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)[C@H](N)c1ccccc1 ZINC000595959154 400297318 /nfs/dbraw/zinc/29/73/18/400297318.db2.gz AKZZKDCGLXUSRL-KDOFPFPSSA-N 0 3 321.424 3.246 20 30 DGEDHN C[C@H](NC(=O)c1ccccc1CC#N)[C@H](c1ccccc1)N(C)C ZINC000601456784 400303238 /nfs/dbraw/zinc/30/32/38/400303238.db2.gz XTHGUZPNTRFZJH-HNAYVOBHSA-N 0 3 321.424 3.174 20 30 DGEDHN Cc1nsc(N2CCN(C[C@@H](C)C(C)(C)C)CC2)c1C#N ZINC000589520738 400304194 /nfs/dbraw/zinc/30/41/94/400304194.db2.gz WQODTMGXAUMHEZ-GFCCVEGCSA-N 0 3 306.479 3.127 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)CCCCCC#N ZINC000601620786 400318950 /nfs/dbraw/zinc/31/89/50/400318950.db2.gz LDUOGATXBNNPFZ-UHFFFAOYSA-N 0 3 303.406 3.169 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cc1F ZINC000595787463 400260112 /nfs/dbraw/zinc/26/01/12/400260112.db2.gz JBRVKLXVCTUCGA-FUHWJXTLSA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC([C@@H]2CCCCO2)CC1 ZINC000595789013 400260877 /nfs/dbraw/zinc/26/08/77/400260877.db2.gz OZRYGFJFIHFFSP-SFHVURJKSA-N 0 3 314.429 3.218 20 30 DGEDHN N#CCSCCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000072513552 400384931 /nfs/dbraw/zinc/38/49/31/400384931.db2.gz BSVHXPMODLNJLP-UHFFFAOYSA-N 0 3 312.442 3.299 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000611372056 400385728 /nfs/dbraw/zinc/38/57/28/400385728.db2.gz RHBVBRKCWZLJCP-IBGZPJMESA-N 0 3 323.415 3.404 20 30 DGEDHN CCc1cccc(OC[C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611388600 400390465 /nfs/dbraw/zinc/39/04/65/400390465.db2.gz PUQPAIDFGUCSFJ-HNAYVOBHSA-N 0 3 324.424 3.211 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611389479 400391274 /nfs/dbraw/zinc/39/12/74/400391274.db2.gz XBIFIVKLVZTELV-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)OCO2 ZINC000611390313 400391285 /nfs/dbraw/zinc/39/12/85/400391285.db2.gz RBNLEUIESXHRDJ-KRWDZBQOSA-N 0 3 306.365 3.454 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)c1ccccc1 ZINC000579478946 400338975 /nfs/dbraw/zinc/33/89/75/400338975.db2.gz FYGFMBINVBMZTD-FFZOFVMBSA-N 0 3 320.436 3.300 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611389481 400391553 /nfs/dbraw/zinc/39/15/53/400391553.db2.gz XBIFIVKLVZTELV-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN C[C@H](CCSc1ccccc1)N1CCN(CCC#N)CC1 ZINC000611175353 400354373 /nfs/dbraw/zinc/35/43/73/400354373.db2.gz FHWPQDMVCFBZCQ-MRXNPFEDSA-N 0 3 303.475 3.089 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CC2)CC1 ZINC000611177608 400354976 /nfs/dbraw/zinc/35/49/76/400354976.db2.gz OGEYXRLEVBZZCP-WUJZJPHMSA-N 0 3 317.477 3.182 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C(C)(C)C)C1)c1ccccc1 ZINC000617344890 400360546 /nfs/dbraw/zinc/36/05/46/400360546.db2.gz RJJRYEPFSWIDRE-SJORKVTESA-N 0 3 300.446 3.335 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)c1ccc2ccccc2n1 ZINC000611249120 400364231 /nfs/dbraw/zinc/36/42/31/400364231.db2.gz ITXJJCXJZSREAA-INIZCTEOSA-N 0 3 301.349 3.158 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC000590168612 400366348 /nfs/dbraw/zinc/36/63/48/400366348.db2.gz FOQVWNHWVGMLJS-NVXWUHKLSA-N 0 3 302.393 3.499 20 30 DGEDHN CCN1CCCN(c2nc(C(C)(C)C)ccc2C#N)[C@H](C)C1 ZINC000596269622 400367302 /nfs/dbraw/zinc/36/73/02/400367302.db2.gz VQJSOPLDUVKFBA-CQSZACIVSA-N 0 3 300.450 3.171 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000596309335 400376711 /nfs/dbraw/zinc/37/67/11/400376711.db2.gz YXXWWMKFWQTSBO-LLVKDONJSA-N 0 3 312.339 3.257 20 30 DGEDHN C[C@H](c1ccccc1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000072702358 400400184 /nfs/dbraw/zinc/40/01/84/400400184.db2.gz LOOVBYFQBNLROM-APWZRJJASA-N 0 3 324.424 3.185 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000590600913 400400413 /nfs/dbraw/zinc/40/04/13/400400413.db2.gz PGMNNVNVVGQQNZ-MRXNPFEDSA-N 0 3 307.397 3.341 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c(C)s1 ZINC000072749543 400401475 /nfs/dbraw/zinc/40/14/75/400401475.db2.gz GIKWMBUNDLZZIG-ZDUSSCGKSA-N 0 3 314.414 3.173 20 30 DGEDHN CCOC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000590646871 400408637 /nfs/dbraw/zinc/40/86/37/400408637.db2.gz QLKNBJPMNKRCEL-GFCCVEGCSA-N 0 3 311.385 3.222 20 30 DGEDHN Cn1cc(CN[C@@H]2CCC(F)(F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611498340 400411484 /nfs/dbraw/zinc/41/14/84/400411484.db2.gz YHQJSPLSLJJCFT-OAHLLOKOSA-N 0 3 316.355 3.236 20 30 DGEDHN C=CCCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000617615670 400426419 /nfs/dbraw/zinc/42/64/19/400426419.db2.gz WRGLTNOXMNFDRV-INIZCTEOSA-N 0 3 316.445 3.246 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C12CCCC2 ZINC000590739069 400426479 /nfs/dbraw/zinc/42/64/79/400426479.db2.gz NRCLHWFRXVOJLL-MSOLQXFVSA-N 0 3 314.429 3.394 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](N[C@H](C)c1cccc(C#N)c1)CO2 ZINC000590778025 400433629 /nfs/dbraw/zinc/43/36/29/400433629.db2.gz SWAHYCALFNXZIZ-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN N#Cc1ccc(CN2CCCc3[nH]ncc3C2)c(C(F)(F)F)c1 ZINC000596592901 400452472 /nfs/dbraw/zinc/45/24/72/400452472.db2.gz JFYZYKUIFHCNNE-UHFFFAOYSA-N 0 3 320.318 3.249 20 30 DGEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)c1ccc2ccccc2c1 ZINC000602570500 400499478 /nfs/dbraw/zinc/49/94/78/400499478.db2.gz AWLSNKQOGBHQEQ-GOSISDBHSA-N 0 3 323.440 3.255 20 30 DGEDHN CN(CCCNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000045029132 400508948 /nfs/dbraw/zinc/50/89/48/400508948.db2.gz LUWFFNHWTNEGRY-UHFFFAOYSA-N 0 3 322.412 3.202 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN2Cc2cccc(C#N)n2)c1 ZINC000602447455 400465307 /nfs/dbraw/zinc/46/53/07/400465307.db2.gz GUVWXNUKPNTIJW-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN C[C@H](CCC#N)CN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000602476782 400473241 /nfs/dbraw/zinc/47/32/41/400473241.db2.gz WGWVOSOXLNRWJI-CJNGLKHVSA-N 0 3 319.836 3.317 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(CN(C)C)c1 ZINC000602485528 400476015 /nfs/dbraw/zinc/47/60/15/400476015.db2.gz UVADPQFIXPZDTF-HNNXBMFYSA-N 0 3 301.434 3.259 20 30 DGEDHN CCN1CCN(c2ccc(NC[C@H](C)CCC#N)c(C)c2)CC1 ZINC000602494513 400479481 /nfs/dbraw/zinc/47/94/81/400479481.db2.gz PHWHOATZCCATJY-MRXNPFEDSA-N 0 3 314.477 3.489 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(Cl)cc1 ZINC000602504336 400481795 /nfs/dbraw/zinc/48/17/95/400481795.db2.gz PQDNCCHMLGKZBG-CQSZACIVSA-N 0 3 322.836 3.407 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000591088341 400485479 /nfs/dbraw/zinc/48/54/79/400485479.db2.gz TWUXQXLUDJPLOL-OTWHNJEPSA-N 0 3 321.424 3.183 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1-n1ccnc1 ZINC000602521064 400486902 /nfs/dbraw/zinc/48/69/02/400486902.db2.gz LITPCOHOVIMPMX-MRXNPFEDSA-N 0 3 324.428 3.061 20 30 DGEDHN CCc1ccc(CN(CC(C)C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000602530838 400489671 /nfs/dbraw/zinc/48/96/71/400489671.db2.gz QIZOIKGWQQERBE-SFHVURJKSA-N 0 3 315.461 3.255 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(F)c(F)c1 ZINC000602539117 400491945 /nfs/dbraw/zinc/49/19/45/400491945.db2.gz CWDWCFJJQOXPRF-ZDUSSCGKSA-N 0 3 324.371 3.032 20 30 DGEDHN C[C@@H](CNCc1cccc(C#N)n1)Oc1ccccc1Cl ZINC000602557918 400496127 /nfs/dbraw/zinc/49/61/27/400496127.db2.gz MLXYIJLQLCHKIM-LBPRGKRZSA-N 0 3 301.777 3.164 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CCOc2ccc(F)cc21 ZINC000602626908 400516376 /nfs/dbraw/zinc/51/63/76/400516376.db2.gz BBCJDYBWGVGERM-BBRMVZONSA-N 0 3 318.392 3.338 20 30 DGEDHN CC(C)CN(Cc1cnn2c1CCC2)Cc1ccc(C#N)cc1 ZINC000596983811 400533972 /nfs/dbraw/zinc/53/39/72/400533972.db2.gz GNRNWNHJDCGDER-UHFFFAOYSA-N 0 3 308.429 3.359 20 30 DGEDHN COc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1C ZINC000602717034 400549897 /nfs/dbraw/zinc/54/98/97/400549897.db2.gz KNWZSGQWXDRPKA-AWEZNQCLSA-N 0 3 302.418 3.192 20 30 DGEDHN CC[C@@]1(O)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000602738621 400560118 /nfs/dbraw/zinc/56/01/18/400560118.db2.gz GIQUPEMNXIFQMT-GOSISDBHSA-N 0 3 302.418 3.106 20 30 DGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H](O)Cc1ccccc1 ZINC000597134594 400567855 /nfs/dbraw/zinc/56/78/55/400567855.db2.gz IZSDCRGJYYRJDX-HXUWFJFHSA-N 0 3 320.436 3.277 20 30 DGEDHN CC(C)(C)c1cccc(OCCCN2CC[C@@](O)(CC#N)C2)c1 ZINC000592151807 400614500 /nfs/dbraw/zinc/61/45/00/400614500.db2.gz RLSDIJQIUDMZTB-IBGZPJMESA-N 0 3 316.445 3.103 20 30 DGEDHN C[C@@H]1CC2(CN1Cc1cn3ccccc3c1C#N)CCOCC2 ZINC000592181474 400619910 /nfs/dbraw/zinc/61/99/10/400619910.db2.gz DVSPNRQFFWRJDE-OAHLLOKOSA-N 0 3 309.413 3.202 20 30 DGEDHN CCCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C)C1 ZINC000592212493 400625404 /nfs/dbraw/zinc/62/54/04/400625404.db2.gz BBICATKMZAXDFG-CQSZACIVSA-N 0 3 320.824 3.160 20 30 DGEDHN CN(C(=O)CN(C1CC1)C1CCCCC1)C1(C#N)CCCCC1 ZINC000047904783 400633803 /nfs/dbraw/zinc/63/38/03/400633803.db2.gz YZVLMIKQIBQCPW-UHFFFAOYSA-N 0 3 317.477 3.468 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C)C2)c1 ZINC000076110593 400635539 /nfs/dbraw/zinc/63/55/39/400635539.db2.gz XSFZQRJSSNEEDJ-CALCHBBNSA-N 0 3 313.445 3.138 20 30 DGEDHN N#CCC1(CN2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000602831774 400586737 /nfs/dbraw/zinc/58/67/37/400586737.db2.gz RUNMRZGGXKEQGC-UHFFFAOYSA-N 0 3 306.413 3.051 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000597204273 400587440 /nfs/dbraw/zinc/58/74/40/400587440.db2.gz GJXALWCFELVZCM-LJQANCHMSA-N 0 3 314.429 3.106 20 30 DGEDHN Cc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010946 400595179 /nfs/dbraw/zinc/59/51/79/400595179.db2.gz ZCMMYFPDBGRKHG-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN N#CCc1ccc(CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000602901225 400601772 /nfs/dbraw/zinc/60/17/72/400601772.db2.gz FZNLHGVHFXZYID-IBGZPJMESA-N 0 3 321.424 3.141 20 30 DGEDHN C=CCN1CCC(NC(=O)NC(CC(C)C)CC(C)C)CC1 ZINC000592522100 400662414 /nfs/dbraw/zinc/66/24/14/400662414.db2.gz UTARGZKDHDAHLD-UHFFFAOYSA-N 0 3 309.498 3.397 20 30 DGEDHN COCc1cc(C#N)ccc1NC[C@H](c1ccsc1)N(C)C ZINC000603272002 400662676 /nfs/dbraw/zinc/66/26/76/400662676.db2.gz OUAKDUOIWPJVBU-QGZVFWFLSA-N 0 3 315.442 3.481 20 30 DGEDHN CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CCN(CC)C1 ZINC000598039429 400723709 /nfs/dbraw/zinc/72/37/09/400723709.db2.gz JWYBTRXSGVGZCX-MSOLQXFVSA-N 0 3 313.445 3.017 20 30 DGEDHN N#Cc1ccccc1CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603864824 400726823 /nfs/dbraw/zinc/72/68/23/400726823.db2.gz ITRQIAMBKFHBJO-OALUTQOASA-N 0 3 303.409 3.126 20 30 DGEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000592995674 400728726 /nfs/dbraw/zinc/72/87/26/400728726.db2.gz DPIUOJGMLMONED-OLZOCXBDSA-N 0 3 312.291 3.244 20 30 DGEDHN N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1ccccn1 ZINC000077865819 400752034 /nfs/dbraw/zinc/75/20/34/400752034.db2.gz WLIRHTRTFFITHZ-HNNXBMFYSA-N 0 3 316.320 3.154 20 30 DGEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051057015 400694788 /nfs/dbraw/zinc/69/47/88/400694788.db2.gz SARLAQLOQXVBJH-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000597921414 400698279 /nfs/dbraw/zinc/69/82/79/400698279.db2.gz FCBNPQCZBYDIGJ-MRXNPFEDSA-N 0 3 313.445 3.090 20 30 DGEDHN C[C@@]1(C#N)CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000598413162 400808331 /nfs/dbraw/zinc/80/83/31/400808331.db2.gz XEJZAJLJNJGVGJ-IBGZPJMESA-N 0 3 311.429 3.048 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2C3CCCC2CCC3)cc1 ZINC000619292033 400814582 /nfs/dbraw/zinc/81/45/82/400814582.db2.gz IVXJUNWIARELNH-AOCRQIFASA-N 0 3 307.397 3.174 20 30 DGEDHN N#CC(C(=O)c1cnn2ccccc12)c1ccc2ccccc2n1 ZINC000604929795 400815831 /nfs/dbraw/zinc/81/58/31/400815831.db2.gz VRYVDQJQAPCMEL-CQSZACIVSA-N 0 3 312.332 3.373 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCCC2=O)CC1 ZINC000619327404 400817144 /nfs/dbraw/zinc/81/71/44/400817144.db2.gz HKBPMQAYFJTRRU-KRWDZBQOSA-N 0 3 324.424 3.121 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000598253039 400771212 /nfs/dbraw/zinc/77/12/12/400771212.db2.gz AYNSZULILDTQDY-QFBILLFUSA-N 0 3 320.392 3.268 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CC1(C#N)CCCCC1 ZINC000598265562 400771305 /nfs/dbraw/zinc/77/13/05/400771305.db2.gz UQZOASBSQFGBDO-INIZCTEOSA-N 0 3 305.466 3.087 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484247 400779175 /nfs/dbraw/zinc/77/91/75/400779175.db2.gz IQJCYNBEYSAUBW-GOSISDBHSA-N 0 3 308.381 3.480 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]3C3CCC3)C2=O)cc1 ZINC000619157557 400784913 /nfs/dbraw/zinc/78/49/13/400784913.db2.gz FHTMBEXRNLBSJP-OALUTQOASA-N 0 3 323.440 3.318 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3C4CCCC3CCC4)C2=O)cc1 ZINC000619159051 400784987 /nfs/dbraw/zinc/78/49/87/400784987.db2.gz GTEDGZPVOFDRPQ-CTWPCTMYSA-N 0 3 323.440 3.461 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@@H](c2cccs2)N(C)C)n1 ZINC000078379453 400795158 /nfs/dbraw/zinc/79/51/58/400795158.db2.gz KFRFGUOFGAYUQM-AWEZNQCLSA-N 0 3 300.431 3.346 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000181111238 400888140 /nfs/dbraw/zinc/88/81/40/400888140.db2.gz LQMKVCLXBOMSAY-SJORKVTESA-N 0 3 307.482 3.391 20 30 DGEDHN CCc1ccc(C(C)(C)NCC(=O)N(CC)C[C@@H](C)C#N)cc1 ZINC000180098468 400881668 /nfs/dbraw/zinc/88/16/68/400881668.db2.gz AWIJWGBTZSNKEE-HNNXBMFYSA-N 0 3 315.461 3.082 20 30 DGEDHN C=CCC[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000180040690 400881907 /nfs/dbraw/zinc/88/19/07/400881907.db2.gz NYRUZNTTYPUIOT-GOSISDBHSA-N 0 3 319.408 3.492 20 30 DGEDHN COc1ccccc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000054424973 400824962 /nfs/dbraw/zinc/82/49/62/400824962.db2.gz JBAZXRFZLVGBOK-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)c2cccc(C)c2)CC1 ZINC000172607237 400834478 /nfs/dbraw/zinc/83/44/78/400834478.db2.gz DAGRUPSGZMHFML-MRXNPFEDSA-N 0 3 315.461 3.048 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054718522 400835304 /nfs/dbraw/zinc/83/53/04/400835304.db2.gz MCKSSKGFOVHKNW-FUHWJXTLSA-N 0 3 315.461 3.430 20 30 DGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598584675 400835945 /nfs/dbraw/zinc/83/59/45/400835945.db2.gz RIGPHRITWSXYQH-CYBMUJFWSA-N 0 3 312.360 3.021 20 30 DGEDHN CC1CCC(OC2CCN(C[C@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588804 400837680 /nfs/dbraw/zinc/83/76/80/400837680.db2.gz OHLAABHKGKHFMK-AQFXKWCLSA-N 0 3 322.493 3.347 20 30 DGEDHN Cc1ccc([C@H]2CSCCN2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598592949 400839027 /nfs/dbraw/zinc/83/90/27/400839027.db2.gz OLFYZAYCXUNFGQ-DLBZAZTESA-N 0 3 318.486 3.386 20 30 DGEDHN CC[C@@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000593417046 400843102 /nfs/dbraw/zinc/84/31/02/400843102.db2.gz JDVCPHCFNVXALN-FUHWJXTLSA-N 0 3 313.445 3.126 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000598620548 400845451 /nfs/dbraw/zinc/84/54/51/400845451.db2.gz CDCFWQXKSNETKS-CVEARBPZSA-N 0 3 322.399 3.272 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)CC[C@H]1CO ZINC000598646212 400849337 /nfs/dbraw/zinc/84/93/37/400849337.db2.gz CWJAAYOKUWXJMH-INIZCTEOSA-N 0 3 300.446 3.471 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccccc1OC1CCC1 ZINC000598721644 400864727 /nfs/dbraw/zinc/86/47/27/400864727.db2.gz WSKGAVDUGAVFIN-HNNXBMFYSA-N 0 3 302.418 3.008 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000598723225 400866081 /nfs/dbraw/zinc/86/60/81/400866081.db2.gz FJQPEMWWTOVFAZ-DZGCQCFKSA-N 0 3 320.408 3.318 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000619569853 400868493 /nfs/dbraw/zinc/86/84/93/400868493.db2.gz UEKHRQXIKNYIMY-UHFFFAOYSA-N 0 3 323.396 3.201 20 30 DGEDHN C[C@@H](NC[C@H]1CCCN1CC(F)F)c1ccc(C#N)c(F)c1 ZINC000599066591 400946742 /nfs/dbraw/zinc/94/67/42/400946742.db2.gz STXIFJVRXKCCKE-BXUZGUMPSA-N 0 3 311.351 3.077 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(C)cc1 ZINC000181686545 400889971 /nfs/dbraw/zinc/88/99/71/400889971.db2.gz DYXIAGAZCHZCSF-NVXWUHKLSA-N 0 3 301.434 3.044 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)cc1 ZINC000181686484 400890194 /nfs/dbraw/zinc/89/01/94/400890194.db2.gz DYXIAGAZCHZCSF-RDJZCZTQSA-N 0 3 301.434 3.044 20 30 DGEDHN CCOC(=O)CCC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614403290 400895382 /nfs/dbraw/zinc/89/53/82/400895382.db2.gz PEDFFIKZIDMEBC-UHFFFAOYSA-N 0 3 314.429 3.422 20 30 DGEDHN Cc1noc(C2(C)CCN(Cc3ccc(C#N)cc3C)CC2)n1 ZINC000614407222 400896269 /nfs/dbraw/zinc/89/62/69/400896269.db2.gz IREHRXYUZADCSC-UHFFFAOYSA-N 0 3 310.401 3.112 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC1(c2ccccc2)CCCC1 ZINC000183539409 400900950 /nfs/dbraw/zinc/90/09/50/400900950.db2.gz NPYHSTLPMZRFAT-GOSISDBHSA-N 0 3 313.445 3.100 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000183996879 400901628 /nfs/dbraw/zinc/90/16/28/400901628.db2.gz UWOFMQZVUHLJOT-IRXDYDNUSA-N 0 3 322.452 3.487 20 30 DGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccsc1 ZINC000619783284 400906393 /nfs/dbraw/zinc/90/63/93/400906393.db2.gz QBBZUAJPBZKSIF-JTQLQIEISA-N 0 3 305.428 3.361 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCc2cccnc21 ZINC000598950332 400909780 /nfs/dbraw/zinc/90/97/80/400909780.db2.gz JNAXFSYTSVWREB-MSOLQXFVSA-N 0 3 319.408 3.000 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594025887 400953006 /nfs/dbraw/zinc/95/30/06/400953006.db2.gz AJPOOVJUNLVCQW-IBGZPJMESA-N 0 3 314.429 3.361 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000080231299 400933672 /nfs/dbraw/zinc/93/36/72/400933672.db2.gz PHMZXRRXRCPNNE-WBVHZDCISA-N 0 3 306.413 3.418 20 30 DGEDHN C=CCN1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599040389 400935623 /nfs/dbraw/zinc/93/56/23/400935623.db2.gz OEXKPLVJNDBBAY-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594124467 400996687 /nfs/dbraw/zinc/99/66/87/400996687.db2.gz WHFOXQIVKVRJCE-SJORKVTESA-N 0 3 312.417 3.005 20 30 DGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CCCCC2)C1 ZINC000057433633 401003467 /nfs/dbraw/zinc/00/34/67/401003467.db2.gz VSXZLMPXQMBLNO-HNNXBMFYSA-N 0 3 305.466 3.087 20 30 DGEDHN CCN(Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599274332 401008838 /nfs/dbraw/zinc/00/88/38/401008838.db2.gz QNBKJJBPGONSAQ-LJQANCHMSA-N 0 3 324.424 3.129 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCN(C2CCC2)C1=O ZINC000599093745 400958610 /nfs/dbraw/zinc/95/86/10/400958610.db2.gz RCTHAKVWMGYZKZ-MOPGFXCFSA-N 0 3 323.440 3.069 20 30 DGEDHN COc1cccc(C2=CCN(CCCSCC#N)CC2)c1 ZINC000080627679 400970616 /nfs/dbraw/zinc/97/06/16/400970616.db2.gz AWVSAWUNUCYKBG-UHFFFAOYSA-N 0 3 302.443 3.431 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000057155605 400976765 /nfs/dbraw/zinc/97/67/65/400976765.db2.gz GWZISMOUDOZRMT-IRXDYDNUSA-N 0 3 304.478 3.053 20 30 DGEDHN CC(C#N)C(=O)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC000594396557 401056830 /nfs/dbraw/zinc/05/68/30/401056830.db2.gz AXVIMUAEVHKQSS-LBPRGKRZSA-N 0 3 306.356 3.296 20 30 DGEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1(F)F ZINC000599512627 401062370 /nfs/dbraw/zinc/06/23/70/401062370.db2.gz LKHBFCRYHNFWCU-CHWSQXEVSA-N 0 3 321.371 3.110 20 30 DGEDHN CN(Cc1ccc2ccccc2c1)C(=O)[C@H](N)CCCCC#N ZINC000594425535 401062981 /nfs/dbraw/zinc/06/29/81/401062981.db2.gz KRHOJRKDKNSKKG-GOSISDBHSA-N 0 3 309.413 3.209 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000594429523 401066479 /nfs/dbraw/zinc/06/64/79/401066479.db2.gz RCAZEWVUUVWJSS-LLVKDONJSA-N 0 3 317.286 3.194 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1c(F)cccc1Cl ZINC000594445634 401071477 /nfs/dbraw/zinc/07/14/77/401071477.db2.gz JIQHMRLUUMBWND-MFKMUULPSA-N 0 3 311.788 3.068 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1c(F)cccc1Cl ZINC000594445633 401071656 /nfs/dbraw/zinc/07/16/56/401071656.db2.gz JIQHMRLUUMBWND-GXFFZTMASA-N 0 3 311.788 3.068 20 30 DGEDHN CN(CCSc1cccnc1C#N)Cc1ccc(F)cc1 ZINC000594450679 401073314 /nfs/dbraw/zinc/07/33/14/401073314.db2.gz OSCURISITVXGOD-UHFFFAOYSA-N 0 3 301.390 3.316 20 30 DGEDHN CC(C)CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000594457681 401074181 /nfs/dbraw/zinc/07/41/81/401074181.db2.gz DBOWWCNLZLMBKP-HNNXBMFYSA-N 0 3 321.396 3.210 20 30 DGEDHN C[C@@H](C1CC1)N(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248726781 401075755 /nfs/dbraw/zinc/07/57/55/401075755.db2.gz IITYGALMFLKJLZ-LIRRHRJNSA-N 0 3 323.440 3.317 20 30 DGEDHN Cc1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1C#N ZINC000599332021 401023742 /nfs/dbraw/zinc/02/37/42/401023742.db2.gz OUGNZYCAOJRNES-MRXNPFEDSA-N 0 3 321.428 3.173 20 30 DGEDHN Cc1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1C#N ZINC000599350944 401029689 /nfs/dbraw/zinc/02/96/89/401029689.db2.gz BYKQFWIDAIBYNB-INIZCTEOSA-N 0 3 321.428 3.242 20 30 DGEDHN COc1ccccc1[C@@H](CC(C)C)NC[C@H](O)CC1(C#N)CC1 ZINC000599354186 401031440 /nfs/dbraw/zinc/03/14/40/401031440.db2.gz NMDOGYNLQCUPLP-NVXWUHKLSA-N 0 3 316.445 3.427 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cc1Cl ZINC000615230544 401035848 /nfs/dbraw/zinc/03/58/48/401035848.db2.gz CCLQWFPYJGHPEO-ACJLOTCBSA-N 0 3 314.816 3.466 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)Cc1ccnc(C#N)c1 ZINC000599661402 401106383 /nfs/dbraw/zinc/10/63/83/401106383.db2.gz VFVXVXFPGPVLEL-UHFFFAOYSA-N 0 3 308.429 3.037 20 30 DGEDHN C[C@]12CCCC[C@H]1CN2CCC(=O)Nc1sccc1C#N ZINC000599674320 401110521 /nfs/dbraw/zinc/11/05/21/401110521.db2.gz BYGGCHLTTNIYDF-BBRMVZONSA-N 0 3 303.431 3.213 20 30 DGEDHN CCC(C)(C)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000594593862 401120714 /nfs/dbraw/zinc/12/07/14/401120714.db2.gz FIWCLOVXOUFDMI-UHFFFAOYSA-N 0 3 308.429 3.417 20 30 DGEDHN CCC(C)(C)N1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000594592333 401121107 /nfs/dbraw/zinc/12/11/07/401121107.db2.gz VGOFLZPPXKVLLD-UHFFFAOYSA-N 0 3 323.444 3.055 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000599770071 401136853 /nfs/dbraw/zinc/13/68/53/401136853.db2.gz FIKKAUZDUQKNAW-ZBFHGGJFSA-N 0 3 301.434 3.124 20 30 DGEDHN CC(C)(C)[C@@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594657022 401142173 /nfs/dbraw/zinc/14/21/73/401142173.db2.gz LVAMBRBIIGLALU-ZDUSSCGKSA-N 0 3 323.322 3.204 20 30 DGEDHN Cc1cccc([C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C(C)C)c1 ZINC000599628662 401095141 /nfs/dbraw/zinc/09/51/41/401095141.db2.gz CVCYIUYUESCQMY-DOTOQJQBSA-N 0 3 313.445 3.233 20 30 DGEDHN C[C@@H](CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1)C1CCCCC1 ZINC000599633020 401096882 /nfs/dbraw/zinc/09/68/82/401096882.db2.gz KIKMECSHSGSDHI-GJZGRUSLSA-N 0 3 305.466 3.086 20 30 DGEDHN C=CCOc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000063723109 401210881 /nfs/dbraw/zinc/21/08/81/401210881.db2.gz MNRFQRZXQWIRJP-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN COC[C@@H](C)Oc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000594914702 401186830 /nfs/dbraw/zinc/18/68/30/401186830.db2.gz JMQMSGIIPKHVJI-OAHLLOKOSA-N 0 3 310.397 3.262 20 30 DGEDHN N#Cc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000065858535 401282865 /nfs/dbraw/zinc/28/28/65/401282865.db2.gz IVIVVEKIHCBVGJ-UHFFFAOYSA-N 0 3 319.408 3.409 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(F)c2F)CC1 ZINC000630942224 401357372 /nfs/dbraw/zinc/35/73/72/401357372.db2.gz HWBFRBXOYJMNSI-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C[C@@H](CC(=O)N(CC)C1CCN(C)CC1)c1ccccc1 ZINC000627617516 401476996 /nfs/dbraw/zinc/47/69/96/401476996.db2.gz IWFUSRCVRULKKB-INIZCTEOSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC[C@H](O)CCC)cc1OC ZINC000623416254 401511935 /nfs/dbraw/zinc/51/19/35/401511935.db2.gz ONCPMFCSOBQTLQ-CYBMUJFWSA-N 0 3 313.825 3.164 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000631627969 401518583 /nfs/dbraw/zinc/51/85/83/401518583.db2.gz DXJBYTMZDSCKQL-AEFFLSMTSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC2(COC)CC2)cc1OC ZINC000623451609 401522007 /nfs/dbraw/zinc/52/20/07/401522007.db2.gz CIJAZIBXDFHEKJ-UHFFFAOYSA-N 0 3 311.809 3.182 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](C)[C@H](C)OC)cc1OC ZINC000623528644 401540428 /nfs/dbraw/zinc/54/04/28/401540428.db2.gz XGLUYYPLVXSBCJ-NEPJUHHUSA-N 0 3 313.825 3.426 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](C)[C@@H](C)OC)cc1OC ZINC000623528645 401540440 /nfs/dbraw/zinc/54/04/40/401540440.db2.gz XGLUYYPLVXSBCJ-VXGBXAGGSA-N 0 3 313.825 3.426 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CO[C@H](C)C2)cc1OC ZINC000623559208 401546568 /nfs/dbraw/zinc/54/65/68/401546568.db2.gz VPTAPIYFWIJFIE-DGCLKSJQSA-N 0 3 311.809 3.180 20 30 DGEDHN COCC1(C#N)CCN(C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000428979901 292208276 /nfs/dbraw/zinc/20/82/76/292208276.db2.gz SVAUWXAZPMQDGY-GOSISDBHSA-N 0 3 316.445 3.405 20 30 DGEDHN C[C@H](CCC#N)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496537126 298364830 /nfs/dbraw/zinc/36/48/30/298364830.db2.gz CSLQAPIZDKFLBU-CQSZACIVSA-N 0 3 307.438 3.154 20 30 DGEDHN CN(CCCOc1cccc(Cl)c1)Cc1cc(C#N)n(C)c1 ZINC000191262368 165240346 /nfs/dbraw/zinc/24/03/46/165240346.db2.gz SZSATACCONAWSJ-UHFFFAOYSA-N 0 3 317.820 3.451 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1F ZINC000192129681 165282287 /nfs/dbraw/zinc/28/22/87/165282287.db2.gz CUCGXXIPOWHGQU-HXUWFJFHSA-N 0 3 324.399 3.470 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000192148256 165283165 /nfs/dbraw/zinc/28/31/65/165283165.db2.gz GKMJMLYPDBDTDQ-CYBMUJFWSA-N 0 3 321.359 3.129 20 30 DGEDHN CC1CCN(CCNc2ccc(Br)cc2C#N)CC1 ZINC000227635195 165387169 /nfs/dbraw/zinc/38/71/69/165387169.db2.gz QSQAKLJFSZAMLW-UHFFFAOYSA-N 0 3 322.250 3.465 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000171724870 432164597 /nfs/dbraw/zinc/16/45/97/432164597.db2.gz VKIDBINEEVPRTL-UHFFFAOYSA-N 0 3 300.446 3.364 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2ccc3ccccc3c2)CC1 ZINC000171726798 432164863 /nfs/dbraw/zinc/16/48/63/432164863.db2.gz GNIRBQOCXOSQSP-UHFFFAOYSA-N 0 3 308.425 3.149 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000171720342 432165397 /nfs/dbraw/zinc/16/53/97/432165397.db2.gz SJGCWNZRFGYZOR-UHFFFAOYSA-N 0 3 318.848 3.138 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000171719705 432165666 /nfs/dbraw/zinc/16/56/66/432165666.db2.gz MBDJFAZHSZUVDC-UHFFFAOYSA-N 0 3 312.457 3.265 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCO1 ZINC000182388201 432185165 /nfs/dbraw/zinc/18/51/65/432185165.db2.gz ZSCQTPNXMNOSRC-CABCVRRESA-N 0 3 323.234 3.368 20 30 DGEDHN C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)C1 ZINC000246933729 432183019 /nfs/dbraw/zinc/18/30/19/432183019.db2.gz YXXHHWWGYXUUDG-KBPBESRZSA-N 0 3 310.401 3.476 20 30 DGEDHN COc1ccc(CN[C@@H](C)C[C@@H](O)c2cccs2)cc1C#N ZINC000131032610 196133960 /nfs/dbraw/zinc/13/39/60/196133960.db2.gz GLLNTAHVEMYTIE-SWLSCSKDSA-N 0 3 316.426 3.230 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190941756 432203918 /nfs/dbraw/zinc/20/39/18/432203918.db2.gz XOTIDAYVLYELRS-AWEZNQCLSA-N 0 3 303.321 3.128 20 30 DGEDHN COCCN(CCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000174864130 228295170 /nfs/dbraw/zinc/29/51/70/228295170.db2.gz KCEFOPWEMRPFFH-UHFFFAOYSA-N 0 3 318.417 3.194 20 30 DGEDHN CN(C)CCN(C(=O)Nc1ccc(CC#N)cc1)C1CCCC1 ZINC000176408103 228312962 /nfs/dbraw/zinc/31/29/62/228312962.db2.gz MSCMHGBWWYBONG-UHFFFAOYSA-N 0 3 314.433 3.091 20 30 DGEDHN C[C@H](NCCOCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181849416 228364017 /nfs/dbraw/zinc/36/40/17/228364017.db2.gz UQBBNLOQJPQKHD-INIZCTEOSA-N 0 3 310.397 3.456 20 30 DGEDHN Cc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000331281955 229026138 /nfs/dbraw/zinc/02/61/38/229026138.db2.gz CSJQOCGAKNFDHW-UKRRQHHQSA-N 0 3 319.449 3.450 20 30 DGEDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000331278781 229026790 /nfs/dbraw/zinc/02/67/90/229026790.db2.gz AJJUBOTXEGKVJU-UHFFFAOYSA-N 0 3 319.405 3.330 20 30 DGEDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000331332388 229030381 /nfs/dbraw/zinc/03/03/81/229030381.db2.gz VAUKXVRLIQSACV-UHFFFAOYSA-N 0 3 319.405 3.330 20 30 DGEDHN N#CCCCN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331674668 229032289 /nfs/dbraw/zinc/03/22/89/229032289.db2.gz OJPASUZWFOSDRC-HNNXBMFYSA-N 0 3 301.438 3.336 20 30 DGEDHN N#CCCCN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331674668 229032292 /nfs/dbraw/zinc/03/22/92/229032292.db2.gz OJPASUZWFOSDRC-HNNXBMFYSA-N 0 3 301.438 3.336 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000338316767 229062555 /nfs/dbraw/zinc/06/25/55/229062555.db2.gz RGMIUUSWTHUBAE-CHWSQXEVSA-N 0 3 306.793 3.117 20 30 DGEDHN C[C@@H](NCCOCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000339065666 229073924 /nfs/dbraw/zinc/07/39/24/229073924.db2.gz LBAVOFJRMNKOAO-LLVKDONJSA-N 0 3 302.296 3.166 20 30 DGEDHN Cc1cc(C(=O)NC2CCN(CCC(C)(C)C#N)CC2)c(C)o1 ZINC000345713884 229155014 /nfs/dbraw/zinc/15/50/14/229155014.db2.gz PTNGTJDWLDRBAT-UHFFFAOYSA-N 0 3 317.433 3.031 20 30 DGEDHN Cc1cccc(Oc2cc(CNC(=O)C(C)C#N)ccn2)c1C ZINC000347727314 229191678 /nfs/dbraw/zinc/19/16/78/229191678.db2.gz UAPVWIOVAQONPI-CYBMUJFWSA-N 0 3 309.369 3.267 20 30 DGEDHN COc1ccc(Br)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349799194 229218116 /nfs/dbraw/zinc/21/81/16/229218116.db2.gz HFSQPJLPFPDUAO-GXFFZTMASA-N 0 3 309.207 3.240 20 30 DGEDHN Cn1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000357781519 229353609 /nfs/dbraw/zinc/35/36/09/229353609.db2.gz ASUASCPQENGOIB-LLVKDONJSA-N 0 3 314.295 3.260 20 30 DGEDHN COCCC[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000358922305 229367712 /nfs/dbraw/zinc/36/77/12/229367712.db2.gz UVNZXTZERKGNRQ-OCCSQVGLSA-N 0 3 308.809 3.126 20 30 DGEDHN N#Cc1cnc(NC[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000413023217 230112937 /nfs/dbraw/zinc/11/29/37/230112937.db2.gz AAXJRAWNLVXWEE-CQSZACIVSA-N 0 3 316.405 3.403 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302218384 230176410 /nfs/dbraw/zinc/17/64/10/230176410.db2.gz QNWDEBLKXCLCHS-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)c1ncc(C#N)cc1Cl ZINC000413462598 230234099 /nfs/dbraw/zinc/23/40/99/230234099.db2.gz XLBDXQKVDAQMJB-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000347262953 264186082 /nfs/dbraw/zinc/18/60/82/264186082.db2.gz PKZKJVTZSYZACW-WMZOPIPTSA-N 0 3 302.418 3.202 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000347747624 264277579 /nfs/dbraw/zinc/27/75/79/264277579.db2.gz ZYYDYLKFIQTYBF-UHFFFAOYSA-N 0 3 324.384 3.035 20 30 DGEDHN CCN(CC)Cc1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000107446670 270003436 /nfs/dbraw/zinc/00/34/36/270003436.db2.gz FUIXEQURFHDWLK-UHFFFAOYSA-N 0 3 308.385 3.047 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1F ZINC000359003413 270004103 /nfs/dbraw/zinc/00/41/03/270004103.db2.gz OAOXBLLRRIXYCR-OIISXLGYSA-N 0 3 300.377 3.135 20 30 DGEDHN CC[C@H](C)N[C@H](CNC(=O)c1cccc(C#N)c1)c1ccco1 ZINC000359537723 270004286 /nfs/dbraw/zinc/00/42/86/270004286.db2.gz GYMXKFWWZRKPER-XJKSGUPXSA-N 0 3 311.385 3.010 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@@H]2CCC[C@@H](C)C2)c1C#N ZINC000533774953 270005131 /nfs/dbraw/zinc/00/51/31/270005131.db2.gz GCWLVAQEFJFLMS-UKRRQHHQSA-N 0 3 300.402 3.355 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353246178 265360517 /nfs/dbraw/zinc/36/05/17/265360517.db2.gz YXJYJURXQYPJNT-LRDDRELGSA-N 0 3 300.402 3.255 20 30 DGEDHN C#CC[C@H](NCc1cnc2c(c1)c(C)nn2C)c1ccccc1 ZINC000270177458 432229967 /nfs/dbraw/zinc/22/99/67/432229967.db2.gz IOZKMHZHKHLQAB-SFHVURJKSA-N 0 3 304.397 3.131 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247453131 432232081 /nfs/dbraw/zinc/23/20/81/432232081.db2.gz PIDJVVMIRQZDGB-OFQRWUPVSA-N 0 3 321.490 3.395 20 30 DGEDHN CCC1CCC(N(C)CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000358534245 266018768 /nfs/dbraw/zinc/01/87/68/266018768.db2.gz LHEAUTXGQHNUIN-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN N#Cc1ccccc1CN1CCC[C@]1(CO)Cc1ccccc1 ZINC000355354687 266048438 /nfs/dbraw/zinc/04/84/38/266048438.db2.gz SIBVBXVPANPYIB-HXUWFJFHSA-N 0 3 306.409 3.128 20 30 DGEDHN CCN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@H](C)O ZINC000348713297 266135786 /nfs/dbraw/zinc/13/57/86/266135786.db2.gz WEEPDJZKQFOIPX-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1Cl ZINC000191219493 432236305 /nfs/dbraw/zinc/23/63/05/432236305.db2.gz YHBYBNDQFHAULL-LBPRGKRZSA-N 0 3 303.793 3.107 20 30 DGEDHN C[C@@H]1C[C@H](NCc2cc(C#N)cs2)CN1Cc1ccccc1 ZINC000151309482 432236981 /nfs/dbraw/zinc/23/69/81/432236981.db2.gz JTYJXMOULRPOHR-PBHICJAKSA-N 0 3 311.454 3.372 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375437685 267000685 /nfs/dbraw/zinc/00/06/85/267000685.db2.gz MHKNEKVADYEXGN-BLLLJJGKSA-N 0 3 308.385 3.369 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 ZINC000362995841 267029104 /nfs/dbraw/zinc/02/91/04/267029104.db2.gz FDYNFSDVPPTUON-MJBXVCDLSA-N 0 3 317.458 3.097 20 30 DGEDHN C[C@@H]1C[C@@H](C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978109 267075533 /nfs/dbraw/zinc/07/55/33/267075533.db2.gz MRASCLXFAWXYDO-RKVPGOIHSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C#N)ccc1Cl ZINC000350099512 267155727 /nfs/dbraw/zinc/15/57/27/267155727.db2.gz PPAXFVXSNYMJNJ-CHWSQXEVSA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000348420166 267180485 /nfs/dbraw/zinc/18/04/85/267180485.db2.gz XKKGOANACSRRTK-LBPRGKRZSA-N 0 3 313.426 3.472 20 30 DGEDHN C[C@H](NCCC(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359858682 267182601 /nfs/dbraw/zinc/18/26/01/267182601.db2.gz HVZDBMCUIHBKKT-HNNXBMFYSA-N 0 3 321.424 3.354 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374857260 267207551 /nfs/dbraw/zinc/20/75/51/267207551.db2.gz NAWFJBXOUYYBPT-AUUYWEPGSA-N 0 3 310.372 3.352 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375437687 267208506 /nfs/dbraw/zinc/20/85/06/267208506.db2.gz MHKNEKVADYEXGN-MLGOLLRUSA-N 0 3 308.385 3.369 20 30 DGEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(F)cc2C#N)C1 ZINC000362231174 267209327 /nfs/dbraw/zinc/20/93/27/267209327.db2.gz ZPNNWMAYKFVEQT-UGSOOPFHSA-N 0 3 304.409 3.364 20 30 DGEDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000351627247 267223591 /nfs/dbraw/zinc/22/35/91/267223591.db2.gz INJFMJCZZUGNFV-WFASDCNBSA-N 0 3 324.371 3.143 20 30 DGEDHN C[C@]1(CNCc2cc(C#N)cs2)OCCc2sccc21 ZINC000353215961 267260062 /nfs/dbraw/zinc/26/00/62/267260062.db2.gz FPAJJONEYHMXFE-OAHLLOKOSA-N 0 3 304.440 3.259 20 30 DGEDHN Cn1ncc2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cc21 ZINC000516944052 268135476 /nfs/dbraw/zinc/13/54/76/268135476.db2.gz PSIUOPMWYACIQL-SFHVURJKSA-N 0 3 302.381 3.222 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000363855536 268214142 /nfs/dbraw/zinc/21/41/42/268214142.db2.gz QCBFGWOGOLZZBK-RTBURBONSA-N 0 3 324.449 3.382 20 30 DGEDHN C[C@H]1Cc2ccccc2CN1CCC(=O)Nc1ccccc1C#N ZINC000172906361 432245118 /nfs/dbraw/zinc/24/51/18/432245118.db2.gz QRSDYGLIXJLODB-HNNXBMFYSA-N 0 3 319.408 3.334 20 30 DGEDHN COc1ccccc1C[C@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191285379 432245335 /nfs/dbraw/zinc/24/53/35/432245335.db2.gz KXKWETOYJWCKTI-QGZVFWFLSA-N 0 3 309.413 3.112 20 30 DGEDHN CS[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1N1CCCC1 ZINC000445596632 274186665 /nfs/dbraw/zinc/18/66/65/274186665.db2.gz NORPNNCVZXBMCP-CVEARBPZSA-N 0 3 321.877 3.228 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCN1C ZINC000428171676 274395076 /nfs/dbraw/zinc/39/50/76/274395076.db2.gz UJZWXTNISRRCDU-CJNGLKHVSA-N 0 3 312.461 3.462 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC2CCN(CC)CC2)CCCC1(C)C ZINC000444890045 275433856 /nfs/dbraw/zinc/43/38/56/275433856.db2.gz OZQDUJSXACMRQL-INIZCTEOSA-N 0 3 307.482 3.247 20 30 DGEDHN CC(C)(CN1CCCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000308668108 275548364 /nfs/dbraw/zinc/54/83/64/275548364.db2.gz PRWVLTUEQIVRAS-UHFFFAOYSA-N 0 3 312.339 3.258 20 30 DGEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000464739172 276278390 /nfs/dbraw/zinc/27/83/90/276278390.db2.gz WDKFPVKEOGYMKI-JKSUJKDBSA-N 0 3 305.466 3.230 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C)(C)C1)C(C)C ZINC000465536237 276891354 /nfs/dbraw/zinc/89/13/54/276891354.db2.gz ARRHQHHJEJVTJL-MRXNPFEDSA-N 0 3 307.482 3.127 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)coc1C)C(C)C ZINC000339930936 276891913 /nfs/dbraw/zinc/89/19/13/276891913.db2.gz HHBKRMDIKQKUOC-MRXNPFEDSA-N 0 3 304.434 3.325 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCC(C)(C)C#N)CC[C@@H]21 ZINC000366558503 277193601 /nfs/dbraw/zinc/19/36/01/277193601.db2.gz LQJYFQXHPZVYRB-GJZGRUSLSA-N 0 3 321.465 3.258 20 30 DGEDHN CC(C)C1(C)CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000426739298 277336821 /nfs/dbraw/zinc/33/68/21/277336821.db2.gz BETZCRCLRZBHPB-MRXNPFEDSA-N 0 3 319.493 3.476 20 30 DGEDHN CC(C)CC[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000472809476 277361253 /nfs/dbraw/zinc/36/12/53/277361253.db2.gz KSIMATCLEADIDT-FUHWJXTLSA-N 0 3 307.482 3.332 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000245702370 277852099 /nfs/dbraw/zinc/85/20/99/277852099.db2.gz BPFMGRTYHVJQAQ-XMTFNYHQSA-N 0 3 322.493 3.005 20 30 DGEDHN CS[C@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1N1CCCC1 ZINC000450459516 278167948 /nfs/dbraw/zinc/16/79/48/278167948.db2.gz XFZXPZMBIYXPTJ-HOTGVXAUSA-N 0 3 321.877 3.228 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C2CCCC2)C1 ZINC000333631362 278204590 /nfs/dbraw/zinc/20/45/90/278204590.db2.gz AXXFIVWGFWBJOQ-RDJZCZTQSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000298933534 278209146 /nfs/dbraw/zinc/20/91/46/278209146.db2.gz PGNDREXNGBPZTO-ZWUHOBOKSA-N 0 3 319.836 3.282 20 30 DGEDHN Cc1cc(CNCCN2CCc3ccccc3C2)ccc1C#N ZINC000443990239 533691320 /nfs/dbraw/zinc/69/13/20/533691320.db2.gz SQXSSAHHTBZBAG-UHFFFAOYSA-N 0 3 305.425 3.015 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000068713420 431139331 /nfs/dbraw/zinc/13/93/31/431139331.db2.gz JCLGYUURXYPUGD-SJLPKXTDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCNC(=O)[C@H](C)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000069165206 431167186 /nfs/dbraw/zinc/16/71/86/431167186.db2.gz SZDBBBMJXVLUOQ-LSDHHAIUSA-N 0 3 315.461 3.149 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccncc1Cl)C(C)C ZINC000073094040 431363174 /nfs/dbraw/zinc/36/31/74/431363174.db2.gz RWQQEJPLDFFIOO-INIZCTEOSA-N 0 3 321.852 3.163 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2C)CC1 ZINC000074341927 431416277 /nfs/dbraw/zinc/41/62/77/431416277.db2.gz ROVSIGRJRDQMQX-UHFFFAOYSA-N 0 3 324.346 3.298 20 30 DGEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619652 431400490 /nfs/dbraw/zinc/40/04/90/431400490.db2.gz RUBGJSLCOVLIMR-GFCCVEGCSA-N 0 3 308.366 3.034 20 30 DGEDHN CC(C)Oc1ccc([C@@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000116372932 431507793 /nfs/dbraw/zinc/50/77/93/431507793.db2.gz NITOPQNHZJYWJW-IBGZPJMESA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1)c1cccs1 ZINC000116908775 431538150 /nfs/dbraw/zinc/53/81/50/431538150.db2.gz SNDWKGILZYYXEK-GOEBONIOSA-N 0 3 314.454 3.312 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000116951763 431541039 /nfs/dbraw/zinc/54/10/39/431541039.db2.gz SPWZOMOCTFMOGN-CQSZACIVSA-N 0 3 321.490 3.224 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CCCC2)C1 ZINC000408441306 280102776 /nfs/dbraw/zinc/10/27/76/280102776.db2.gz CZTLHEKAQWREKV-NVXWUHKLSA-N 0 3 305.466 3.086 20 30 DGEDHN CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396150 431603161 /nfs/dbraw/zinc/60/31/61/431603161.db2.gz LITIRQVSZZIJSB-WMLDXEAASA-N 0 3 309.417 3.110 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC[C@@H]1CCCO1)c1ccccn1 ZINC000078732636 431701366 /nfs/dbraw/zinc/70/13/66/431701366.db2.gz WDBWXWQGKLPTIN-GOEBONIOSA-N 0 3 322.364 3.129 20 30 DGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000078800878 431710433 /nfs/dbraw/zinc/71/04/33/431710433.db2.gz XPHWPIAGWAIBRE-GFCCVEGCSA-N 0 3 320.824 3.017 20 30 DGEDHN C=CCOc1cccc(CN(C)Cc2ccc(C(=O)NC)cc2)c1 ZINC000121153575 431746798 /nfs/dbraw/zinc/74/67/98/431746798.db2.gz UIUIGJPDXDMIBZ-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN CN(CCC(=O)Nc1sccc1C#N)Cc1cccs1 ZINC000030920024 431750482 /nfs/dbraw/zinc/75/04/82/431750482.db2.gz KPZZDYWUMDQMCB-UHFFFAOYSA-N 0 3 305.428 3.142 20 30 DGEDHN C=CCN(C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000121231740 431756686 /nfs/dbraw/zinc/75/66/86/431756686.db2.gz YSGYXJNOJDNGRA-UHFFFAOYSA-N 0 3 308.425 3.400 20 30 DGEDHN C=CCN(C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000121534816 431801025 /nfs/dbraw/zinc/80/10/25/431801025.db2.gz NPOUTBIIBVHUPK-NSHDSACASA-N 0 3 316.474 3.059 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000122664360 431841318 /nfs/dbraw/zinc/84/13/18/431841318.db2.gz ZXVPJJGQEPSOEQ-CYBMUJFWSA-N 0 3 315.360 3.056 20 30 DGEDHN COc1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122676587 431842116 /nfs/dbraw/zinc/84/21/16/431842116.db2.gz BUOZQVUGGLVPNY-CYBMUJFWSA-N 0 3 305.337 3.072 20 30 DGEDHN Cc1ccc([C@H]2C[C@H](C)CCN2CCC(=O)N(C)CCC#N)o1 ZINC000092798514 431912278 /nfs/dbraw/zinc/91/22/78/431912278.db2.gz ZPXTZQGZGQCSDJ-GDBMZVCRSA-N 0 3 317.433 3.123 20 30 DGEDHN C=CCOc1ccc(CN2CCC(COC)CC2)cc1OC ZINC000093103657 431912706 /nfs/dbraw/zinc/91/27/06/431912706.db2.gz BPITWSVYCURGHV-UHFFFAOYSA-N 0 3 305.418 3.118 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](COCC)C2)cc1 ZINC000093419270 431914155 /nfs/dbraw/zinc/91/41/55/431914155.db2.gz XJRYXTROWCHRKC-SFHVURJKSA-N 0 3 301.430 3.337 20 30 DGEDHN CCN(CC(C)(C)CCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362540 431914692 /nfs/dbraw/zinc/91/46/92/431914692.db2.gz XHUNYOOUKISVQA-KRWDZBQOSA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@H](c1cccnc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000093413668 431914933 /nfs/dbraw/zinc/91/49/33/431914933.db2.gz AQFRZONOQURUJJ-MRXNPFEDSA-N 0 3 300.450 3.090 20 30 DGEDHN C=CCOc1ccc(CN(C)[C@@H](CO)C(C)(C)C)cc1OC ZINC000093837275 431917112 /nfs/dbraw/zinc/91/71/12/431917112.db2.gz AFBXCUSLIQAMQN-KRWDZBQOSA-N 0 3 307.434 3.099 20 30 DGEDHN CO[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000091772296 431904676 /nfs/dbraw/zinc/90/46/76/431904676.db2.gz AZLXSSRZCZXUJO-SFHVURJKSA-N 0 3 324.428 3.075 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000124813978 431905501 /nfs/dbraw/zinc/90/55/01/431905501.db2.gz KVXBLEWENUROOZ-ROUUACIJSA-N 0 3 307.409 3.134 20 30 DGEDHN CC(=O)Nc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000125648280 431931867 /nfs/dbraw/zinc/93/18/67/431931867.db2.gz JACQIPALLGAUNX-UHFFFAOYSA-N 0 3 319.408 3.359 20 30 DGEDHN C=C(C)COCCNCc1cc(Br)ccc1OC ZINC000125812660 431936160 /nfs/dbraw/zinc/93/61/60/431936160.db2.gz QGAMGTQMQLFWLD-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN N#CC(C(=O)c1ccc(Br)c(F)c1)c1ccccn1 ZINC000049417066 431939975 /nfs/dbraw/zinc/93/99/75/431939975.db2.gz KVYRYSRHZFUTAS-JTQLQIEISA-N 0 3 319.133 3.473 20 30 DGEDHN CC[C@H](C)N(CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1 ZINC000101546299 431985027 /nfs/dbraw/zinc/98/50/27/431985027.db2.gz TXANIYIUTIYYGX-IRXDYDNUSA-N 0 3 315.461 3.295 20 30 DGEDHN CCCn1ccnc1CCCN(C)CC#Cc1ccc(F)cc1 ZINC000191484347 432269350 /nfs/dbraw/zinc/26/93/50/432269350.db2.gz FZOOUZWVQCYIRR-UHFFFAOYSA-N 0 3 313.420 3.348 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000248172633 432273387 /nfs/dbraw/zinc/27/33/87/432273387.db2.gz VBGOFDOIEASDLH-RBUKOAKNSA-N 0 3 307.397 3.132 20 30 DGEDHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(C#N)cc1F ZINC000270677681 432275168 /nfs/dbraw/zinc/27/51/68/432275168.db2.gz RXZUNFMAUBVGQA-KPZWWZAWSA-N 0 3 316.351 3.438 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCC1 ZINC000191564583 432276831 /nfs/dbraw/zinc/27/68/31/432276831.db2.gz DCVKRXHFAHJOOD-INIZCTEOSA-N 0 3 300.446 3.370 20 30 DGEDHN Cn1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191556200 432277576 /nfs/dbraw/zinc/27/75/76/432277576.db2.gz QTMGHELGYIGKHP-SJORKVTESA-N 0 3 315.804 3.170 20 30 DGEDHN N#CCCCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000102397973 431993660 /nfs/dbraw/zinc/99/36/60/431993660.db2.gz XBLQNATYHOMMFR-UHFFFAOYSA-N 0 3 319.836 3.182 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000174076392 432318931 /nfs/dbraw/zinc/31/89/31/432318931.db2.gz HAEGZKCIAXQDCM-XJKSGUPXSA-N 0 3 315.417 3.218 20 30 DGEDHN COc1cc(C#N)ccc1CN(C[C@@H](C)O)C1CCCCC1 ZINC000271069522 432326332 /nfs/dbraw/zinc/32/63/32/432326332.db2.gz VDWVZBRDNPTUQJ-CQSZACIVSA-N 0 3 302.418 3.082 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(CCc2cccs2)CC1 ZINC000271090323 432328459 /nfs/dbraw/zinc/32/84/59/432328459.db2.gz VYTGWWHNCNRDMO-UHFFFAOYSA-N 0 3 305.491 3.238 20 30 DGEDHN C#CCCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000192122296 432335131 /nfs/dbraw/zinc/33/51/31/432335131.db2.gz ZHIGKARWFYDOTC-UHFFFAOYSA-N 0 3 308.809 3.022 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000192136559 432337413 /nfs/dbraw/zinc/33/74/13/432337413.db2.gz AWUWMGFTDIJCGM-WMLDXEAASA-N 0 3 304.459 3.051 20 30 DGEDHN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249418028 432346899 /nfs/dbraw/zinc/34/68/99/432346899.db2.gz ZXCLEYGOJZWYKR-RDTXWAMCSA-N 0 3 323.444 3.240 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC000248609436 432306532 /nfs/dbraw/zinc/30/65/32/432306532.db2.gz VYGOERWRXKQGJY-OKZBNKHCSA-N 0 3 322.493 3.006 20 30 DGEDHN C[C@H](NCCN1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000173987900 432312351 /nfs/dbraw/zinc/31/23/51/432312351.db2.gz MRMGCZJCMVLPBU-AWEZNQCLSA-N 0 3 311.454 3.329 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(OC)cc1)C1CC1 ZINC000192509068 432381275 /nfs/dbraw/zinc/38/12/75/432381275.db2.gz ILMQOMQQCOUFLV-IBGZPJMESA-N 0 3 316.445 3.161 20 30 DGEDHN C[C@@H](c1ccccc1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153285166 432397593 /nfs/dbraw/zinc/39/75/93/432397593.db2.gz XCMKABZETBOIEI-NSHDSACASA-N 0 3 317.824 3.143 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)COC2 ZINC000271462435 432401002 /nfs/dbraw/zinc/40/10/02/432401002.db2.gz KIZUWWPIDOLHOS-AWEZNQCLSA-N 0 3 308.381 3.470 20 30 DGEDHN COc1cccc2c1CC[C@H]2NCc1ccc(OCC#N)cc1 ZINC000271468643 432401553 /nfs/dbraw/zinc/40/15/53/432401553.db2.gz LIJLIYRYJYPFLS-GOSISDBHSA-N 0 3 308.381 3.375 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000153358290 432402746 /nfs/dbraw/zinc/40/27/46/432402746.db2.gz GSCRRLXXIRTWHH-XLIONFOSSA-N 0 3 323.436 3.343 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192338382 432362076 /nfs/dbraw/zinc/36/20/76/432362076.db2.gz QFYNSUUSHJBKGC-HKUYNNGSSA-N 0 3 312.457 3.301 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccoc1Cl)C(C)C ZINC000192365852 432365466 /nfs/dbraw/zinc/36/54/66/432365466.db2.gz ZYCTZLOAXUHGOV-AWEZNQCLSA-N 0 3 310.825 3.361 20 30 DGEDHN COc1cc([C@@H](C)NCCC(C)(C)C#N)cc(OC)c1OC ZINC000271984962 432432444 /nfs/dbraw/zinc/43/24/44/432432444.db2.gz CJHHFIHIFGBFMR-GFCCVEGCSA-N 0 3 306.406 3.303 20 30 DGEDHN Cc1ncc(CNCCSCc2ccccc2C#N)s1 ZINC000192965571 432436165 /nfs/dbraw/zinc/43/61/65/432436165.db2.gz CBRPDGNKTDTMAI-UHFFFAOYSA-N 0 3 303.456 3.346 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000175480703 432439691 /nfs/dbraw/zinc/43/96/91/432439691.db2.gz FMYJLZHQBBRNAI-OAHLLOKOSA-N 0 3 306.475 3.433 20 30 DGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000154349378 432493215 /nfs/dbraw/zinc/49/32/15/432493215.db2.gz NUVNONVVMZBASF-MRXNPFEDSA-N 0 3 305.466 3.087 20 30 DGEDHN CC(C)CCOC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000193862131 432505336 /nfs/dbraw/zinc/50/53/36/432505336.db2.gz DBPNELAHMHPRAD-UHFFFAOYSA-N 0 3 316.445 3.464 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCN(C)CC12CCCCC2 ZINC000154614269 432509237 /nfs/dbraw/zinc/50/92/37/432509237.db2.gz PTMLPZNWPPKDNH-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN N#Cc1ccc(CNCCCc2ccc3c(c2)CCO3)c(F)c1 ZINC000193291402 432462868 /nfs/dbraw/zinc/46/28/68/432462868.db2.gz NZSTWQRSNBUBON-UHFFFAOYSA-N 0 3 310.372 3.355 20 30 DGEDHN C[C@](O)(CNCc1ccc(C#N)s1)c1ccccc1Cl ZINC000185107961 432467039 /nfs/dbraw/zinc/46/70/39/432467039.db2.gz GGVVMGVFCMCXSE-HNNXBMFYSA-N 0 3 306.818 3.270 20 30 DGEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000272239780 432468893 /nfs/dbraw/zinc/46/88/93/432468893.db2.gz WGVWDSPINJYNDF-IAQYHMDHSA-N 0 3 309.335 3.107 20 30 DGEDHN C[C@@](O)(CNCc1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000185115572 432469276 /nfs/dbraw/zinc/46/92/76/432469276.db2.gz BOUURFTXLOIRRV-OAHLLOKOSA-N 0 3 306.818 3.270 20 30 DGEDHN C=CCCO[C@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000263046841 432515866 /nfs/dbraw/zinc/51/58/66/432515866.db2.gz WJGAUDOPJPOCBB-SNVBAGLBSA-N 0 3 316.323 3.084 20 30 DGEDHN CC1(C#N)CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000272596385 432531091 /nfs/dbraw/zinc/53/10/91/432531091.db2.gz QEDNCQWPEFYTDD-UHFFFAOYSA-N 0 3 305.809 3.294 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000185778209 432532332 /nfs/dbraw/zinc/53/23/32/432532332.db2.gz CYDKUIFLDDOSNI-AAEUAGOBSA-N 0 3 313.323 3.195 20 30 DGEDHN CC#CCCCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000185938292 432547269 /nfs/dbraw/zinc/54/72/69/432547269.db2.gz FYBICJFXTXLZQP-UHFFFAOYSA-N 0 3 300.446 3.207 20 30 DGEDHN Cc1nc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)sc1C ZINC000155653968 432565497 /nfs/dbraw/zinc/56/54/97/432565497.db2.gz PHKNGWFCWOUEEY-LBPRGKRZSA-N 0 3 307.325 3.284 20 30 DGEDHN CC#CCCCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000186177782 432566637 /nfs/dbraw/zinc/56/66/37/432566637.db2.gz LKVNXUOMIMIZIU-MRXNPFEDSA-N 0 3 300.446 3.426 20 30 DGEDHN N#Cc1ccc(CNCCc2cnn(-c3ccccc3)c2)s1 ZINC000176945799 432568275 /nfs/dbraw/zinc/56/82/75/432568275.db2.gz ROQCCHNENOAYIT-UHFFFAOYSA-N 0 3 308.410 3.138 20 30 DGEDHN C[C@H](COc1ccc(F)cc1F)NCc1ccc(C#N)s1 ZINC000176954725 432569343 /nfs/dbraw/zinc/56/93/43/432569343.db2.gz OKUHLGQJLMJBIB-SNVBAGLBSA-N 0 3 308.353 3.455 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(Cn3ccnc3)cc2)s1 ZINC000176946713 432569590 /nfs/dbraw/zinc/56/95/90/432569590.db2.gz SWNWZTUVIYWEQC-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN COc1ccccc1O[C@@H](C)CNCc1ccc(C#N)s1 ZINC000176978463 432571828 /nfs/dbraw/zinc/57/18/28/432571828.db2.gz CYJAYODFKFAXAR-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1CCOCC1 ZINC000155979733 432583216 /nfs/dbraw/zinc/58/32/16/432583216.db2.gz HUCVPILDDJYADL-UHFFFAOYSA-N 0 3 311.347 3.415 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000157829981 432631432 /nfs/dbraw/zinc/63/14/32/432631432.db2.gz JZMSUXHMVPXMJX-AWEZNQCLSA-N 0 3 309.454 3.305 20 30 DGEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccccc1C(C)(C)C#N ZINC000274068641 432633246 /nfs/dbraw/zinc/63/32/46/432633246.db2.gz RAKRHIIXSBHQDU-ZIAGYGMSSA-N 0 3 302.418 3.165 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1/N=C/c1cccc(O)c1O ZINC000274068251 432633957 /nfs/dbraw/zinc/63/39/57/432633957.db2.gz KDNLIMRUJBSAJC-ZBNZRFBESA-N 0 3 310.397 3.037 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2ccccc2)CC1 ZINC000264321432 432635950 /nfs/dbraw/zinc/63/59/50/432635950.db2.gz BGRLEQYINDDOJX-SFHVURJKSA-N 0 3 315.461 3.477 20 30 DGEDHN CCOCCOCc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000274167586 432637088 /nfs/dbraw/zinc/63/70/88/432637088.db2.gz ARVHOBFPRZYRHZ-APWZRJJASA-N 0 3 316.445 3.412 20 30 DGEDHN N#Cc1cccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000177602031 432640679 /nfs/dbraw/zinc/64/06/79/432640679.db2.gz NNJRWDKKXVDNIB-IBGZPJMESA-N 0 3 314.429 3.108 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1ccc(C#N)s1 ZINC000177591313 432641250 /nfs/dbraw/zinc/64/12/50/432641250.db2.gz ZMWQHKZRLRUAFL-UHFFFAOYSA-N 0 3 309.435 3.013 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](C)c2ccccc2)CC1 ZINC000264388784 432641385 /nfs/dbraw/zinc/64/13/85/432641385.db2.gz WJCPPKBFJAGPCO-INIZCTEOSA-N 0 3 315.461 3.082 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2F)CC1 ZINC000264400256 432643269 /nfs/dbraw/zinc/64/32/69/432643269.db2.gz PAGJZSWYSYQILU-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN CCCN(CCc1cccs1)CC(=O)N(CC)C[C@H](C)C#N ZINC000274325538 432653052 /nfs/dbraw/zinc/65/30/52/432653052.db2.gz PPFNGVWEYYIQBY-OAHLLOKOSA-N 0 3 321.490 3.011 20 30 DGEDHN C=CCCOCCNCc1cccc(Br)c1OC ZINC000187341015 432659667 /nfs/dbraw/zinc/65/96/67/432659667.db2.gz GLDFAFUAXPDTKR-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)CC2)CC1 ZINC000188000786 432698490 /nfs/dbraw/zinc/69/84/90/432698490.db2.gz ZTBBXWXCZKPTRZ-JKSUJKDBSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)NCCNC(=O)C(C)C)cc1 ZINC000178226949 432708263 /nfs/dbraw/zinc/70/82/63/432708263.db2.gz PWSNUECXLGJICD-CQSZACIVSA-N 0 3 324.852 3.241 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000227632916 432713877 /nfs/dbraw/zinc/71/38/77/432713877.db2.gz DCVZEEVAYYFTHE-KBPBESRZSA-N 0 3 321.446 3.155 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000188297078 432716675 /nfs/dbraw/zinc/71/66/75/432716675.db2.gz JBGOGEHRIVALHW-SFHVURJKSA-N 0 3 304.434 3.224 20 30 DGEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000274930429 432721398 /nfs/dbraw/zinc/72/13/98/432721398.db2.gz NLBGMJRXFRANBL-STQMWFEESA-N 0 3 303.406 3.083 20 30 DGEDHN CC[C@@]1(CO)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000187572130 432670377 /nfs/dbraw/zinc/67/03/77/432670377.db2.gz KIAXBHVAHLISPB-LJQANCHMSA-N 0 3 300.446 3.472 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000159143910 432672061 /nfs/dbraw/zinc/67/20/61/432672061.db2.gz UBIKPKJZEJVJDT-WMZOPIPTSA-N 0 3 315.461 3.335 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000187634606 432672582 /nfs/dbraw/zinc/67/25/82/432672582.db2.gz DTFSOGDELPTQRZ-GOSISDBHSA-N 0 3 300.446 3.289 20 30 DGEDHN CC(C)[C@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000265210239 432676061 /nfs/dbraw/zinc/67/60/61/432676061.db2.gz DDNSUPLZYSNLTH-HXUWFJFHSA-N 0 3 324.424 3.244 20 30 DGEDHN C=CCC1(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CCC1 ZINC000188879268 432750302 /nfs/dbraw/zinc/75/03/02/432750302.db2.gz ZTHFLPGIBLNRGD-BBWFWOEESA-N 0 3 302.462 3.066 20 30 DGEDHN COc1ccc(CNC[C@@H](OC)C(C)C)cc1OCCCC#N ZINC000266646780 432776314 /nfs/dbraw/zinc/77/63/14/432776314.db2.gz WLRXTYHGXCLJHU-GOSISDBHSA-N 0 3 320.433 3.138 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(OCC#N)cc2)C1(C)C ZINC000265857660 432739219 /nfs/dbraw/zinc/73/92/19/432739219.db2.gz JLEGRBBNIBGISF-SJORKVTESA-N 0 3 302.418 3.224 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NCC1(N(C)C)CCC1 ZINC000275695677 432740668 /nfs/dbraw/zinc/74/06/68/432740668.db2.gz WRTNJXNYXWUIES-UHFFFAOYSA-N 0 3 319.424 3.008 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267272753 432827591 /nfs/dbraw/zinc/82/75/91/432827591.db2.gz ARPVBFSWPFQMDA-FUHWJXTLSA-N 0 3 300.446 3.370 20 30 DGEDHN C#CCC1(C(=O)NC2CCN(CC(=C)C)CC2)CCCCC1 ZINC000276272347 432791346 /nfs/dbraw/zinc/79/13/46/432791346.db2.gz KBWRYPOKMLWWMF-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000276316367 432796988 /nfs/dbraw/zinc/79/69/88/432796988.db2.gz XZVVEKSXHSLDGT-UONOGXRCSA-N 0 3 312.335 3.254 20 30 DGEDHN N#Cc1ccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)s1 ZINC000189596497 432802070 /nfs/dbraw/zinc/80/20/70/432802070.db2.gz WOMBYMSKUOCNPO-GXFFZTMASA-N 0 3 318.364 3.193 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000237846953 432802249 /nfs/dbraw/zinc/80/22/49/432802249.db2.gz MLEAYZSYCRSXQG-FQEVSTJZSA-N 0 3 322.408 3.406 20 30 DGEDHN CC(C)OCCN1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000267104364 432813394 /nfs/dbraw/zinc/81/33/94/432813394.db2.gz XHFPZXALEJCEPI-UHFFFAOYSA-N 0 3 323.387 3.138 20 30 DGEDHN O=C(N[C@@H](CO)c1ccsc1)[C@@H]1CCCN1C1CCCC1 ZINC000330172498 432895480 /nfs/dbraw/zinc/89/54/80/432895480.db2.gz GMPOASYDUXFHCI-GJZGRUSLSA-N 0 3 308.447 3.145 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCNC(=O)OC(C)(C)C ZINC000268315443 432863233 /nfs/dbraw/zinc/86/32/33/432863233.db2.gz CZAVMLLKMDMQJN-ZDUSSCGKSA-N 0 3 303.406 3.076 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)CCc2nnc(C3CCCC3)o2)CCN1C ZINC000329978330 432886224 /nfs/dbraw/zinc/88/62/24/432886224.db2.gz HIQSBJOIDTXDCW-TZMCWYRMSA-N 0 3 320.437 3.099 20 30 DGEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CC[C@H](C)C1 ZINC000329984487 432886516 /nfs/dbraw/zinc/88/65/16/432886516.db2.gz CGRVIZRDECGVBH-IMJJTQAJSA-N 0 3 304.438 3.006 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCN(C2CCCCC2)CC1 ZINC000163005540 432840279 /nfs/dbraw/zinc/84/02/79/432840279.db2.gz CGEISZKXUMIWQU-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000163254643 432848121 /nfs/dbraw/zinc/84/81/21/432848121.db2.gz CKTPMUMTGBZTBH-HIFRSBDPSA-N 0 3 303.406 3.265 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000245623624 432850739 /nfs/dbraw/zinc/85/07/39/432850739.db2.gz XPEHDQOSLKQMOU-YJBOKZPZSA-N 0 3 318.486 3.441 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000245702366 432856919 /nfs/dbraw/zinc/85/69/19/432856919.db2.gz BPFMGRTYHVJQAQ-MHORFTMASA-N 0 3 322.493 3.005 20 30 DGEDHN CNC(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000330708294 432924601 /nfs/dbraw/zinc/92/46/01/432924601.db2.gz QVWSLGVVPQCAJI-KRWDZBQOSA-N 0 3 319.449 3.422 20 30 DGEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000331295491 432938536 /nfs/dbraw/zinc/93/85/36/432938536.db2.gz RZRIHUUOLIXFPG-FVJLSDCUSA-N 0 3 304.459 3.036 20 30 DGEDHN C#Cc1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000289270611 432940878 /nfs/dbraw/zinc/94/08/78/432940878.db2.gz NMMDNPFNEMJPLO-HNNXBMFYSA-N 0 3 320.392 3.475 20 30 DGEDHN C=CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000279157245 432941038 /nfs/dbraw/zinc/94/10/38/432941038.db2.gz CHYGKOBBQGVDLJ-WMZOPIPTSA-N 0 3 315.461 3.305 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000279171735 432941750 /nfs/dbraw/zinc/94/17/50/432941750.db2.gz AGAOBTKTCWMNCQ-OTWHNJEPSA-N 0 3 321.424 3.422 20 30 DGEDHN COC1CCN(c2ccc(CN3CCC(C#N)CC3)cc2)CC1 ZINC000296954884 432942660 /nfs/dbraw/zinc/94/26/60/432942660.db2.gz CGFBPQGNHBCXBI-UHFFFAOYSA-N 0 3 313.445 3.037 20 30 DGEDHN CC(C)(C#N)CCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296987677 432946051 /nfs/dbraw/zinc/94/60/51/432946051.db2.gz ZJNYCWYASIHGMY-UHFFFAOYSA-N 0 3 313.445 3.470 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000289334064 432946232 /nfs/dbraw/zinc/94/62/32/432946232.db2.gz VIFSZZVSLQKZHU-UHFFFAOYSA-N 0 3 318.420 3.080 20 30 DGEDHN CO[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)Cc1ccccc1 ZINC000296329268 432896805 /nfs/dbraw/zinc/89/68/05/432896805.db2.gz PDHMHRFVVJDECU-OXJNMPFZSA-N 0 3 324.424 3.497 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000278600691 432898430 /nfs/dbraw/zinc/89/84/30/432898430.db2.gz LWASGXAIANAFBT-KMFMINBZSA-N 0 3 300.377 3.413 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000278707714 432898796 /nfs/dbraw/zinc/89/87/96/432898796.db2.gz LIWYDPNGJAPLPO-RYUDHWBXSA-N 0 3 313.323 3.151 20 30 DGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)C2CCN(C3CC3)CC2)C1 ZINC000330242537 432899839 /nfs/dbraw/zinc/89/98/39/432899839.db2.gz WMOOSBIGGKIGDA-AUUYWEPGSA-N 0 3 322.493 3.395 20 30 DGEDHN COc1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cn1 ZINC000330292088 432902316 /nfs/dbraw/zinc/90/23/16/432902316.db2.gz GYKAPIURIMWOHP-OAHLLOKOSA-N 0 3 303.406 3.475 20 30 DGEDHN Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000279246205 432949709 /nfs/dbraw/zinc/94/97/09/432949709.db2.gz GQEXZUBGBDYYMJ-MRXNPFEDSA-N 0 3 323.421 3.269 20 30 DGEDHN CC1CCN(CCNC(=O)c2cc(Cl)cc(F)c2N)CC1 ZINC000330450816 432910052 /nfs/dbraw/zinc/91/00/52/432910052.db2.gz JSJVPUHKSDQKKA-UHFFFAOYSA-N 0 3 313.804 3.098 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000278908123 432915154 /nfs/dbraw/zinc/91/51/54/432915154.db2.gz ZXFKKCUNWOBXSR-GARXJVFOSA-N 0 3 302.418 3.443 20 30 DGEDHN CC(C)(C#N)CCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278903247 432915698 /nfs/dbraw/zinc/91/56/98/432915698.db2.gz RWRIACKEOQUAIQ-AWEZNQCLSA-N 0 3 305.397 3.394 20 30 DGEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c(F)c1 ZINC000289513551 432967845 /nfs/dbraw/zinc/96/78/45/432967845.db2.gz RDMYXHSERCDXMD-GOSISDBHSA-N 0 3 321.399 3.334 20 30 DGEDHN C[C@@H]1CCC[C@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279699911 432991571 /nfs/dbraw/zinc/99/15/71/432991571.db2.gz JGFOAUDZROYMCG-OLMNPRSZSA-N 0 3 309.413 3.278 20 30 DGEDHN CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000341203305 432992088 /nfs/dbraw/zinc/99/20/88/432992088.db2.gz COELSUSSLBAQAI-INIZCTEOSA-N 0 3 311.385 3.448 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280034549 432999672 /nfs/dbraw/zinc/99/96/72/432999672.db2.gz NLQICUWOFFMNON-OLMNPRSZSA-N 0 3 309.413 3.326 20 30 DGEDHN CCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000279982192 433000036 /nfs/dbraw/zinc/00/00/36/433000036.db2.gz IGOFGNVQIYJRQE-QGZVFWFLSA-N 0 3 309.413 3.327 20 30 DGEDHN CC(C)CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280105059 433001855 /nfs/dbraw/zinc/00/18/55/433001855.db2.gz PFTZNKPCGUXNOL-KRWDZBQOSA-N 0 3 309.413 3.183 20 30 DGEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280283714 433028027 /nfs/dbraw/zinc/02/80/27/433028027.db2.gz MXSGNDXRZMFVDB-HNNXBMFYSA-N 0 3 313.445 3.092 20 30 DGEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000280302758 433030335 /nfs/dbraw/zinc/03/03/35/433030335.db2.gz MZPAQGYELNAPII-PBHICJAKSA-N 0 3 309.413 3.135 20 30 DGEDHN CC[C@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332315 433034692 /nfs/dbraw/zinc/03/46/92/433034692.db2.gz JHGIBWHSCNELQJ-PKOBYXMFSA-N 0 3 309.413 3.279 20 30 DGEDHN CCc1nnc(C/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])s1 ZINC000290448032 433053792 /nfs/dbraw/zinc/05/37/92/433053792.db2.gz DHHDYYYVJFNPKO-LICLKQGHSA-N 0 3 318.446 3.271 20 30 DGEDHN C[C@@H](CN1CCCCC1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000354411847 433064978 /nfs/dbraw/zinc/06/49/78/433064978.db2.gz ZPTNMSVJGPUVIO-WMZOPIPTSA-N 0 3 313.445 3.065 20 30 DGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccn2)s1 ZINC000419837490 433072296 /nfs/dbraw/zinc/07/22/96/433072296.db2.gz MGBHMCQZWSCAQI-SNVBAGLBSA-N 0 3 300.387 3.081 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)nc2ccccn21 ZINC000280529126 433073690 /nfs/dbraw/zinc/07/36/90/433073690.db2.gz BTAWXQGWQJXVEA-IUODEOHRSA-N 0 3 305.809 3.059 20 30 DGEDHN N#Cc1cccc(CCNCc2ccc(Br)cn2)c1 ZINC000341472786 433080411 /nfs/dbraw/zinc/08/04/11/433080411.db2.gz DPTLRUFALARIHW-UHFFFAOYSA-N 0 3 316.202 3.048 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425064341 433089362 /nfs/dbraw/zinc/08/93/62/433089362.db2.gz HKMLZNNMUYXISG-IPMKNSEASA-N 0 3 312.457 3.289 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000290629544 433122250 /nfs/dbraw/zinc/12/22/50/433122250.db2.gz CRZOOJWYLADHPU-IERDGZPVSA-N 0 3 320.436 3.018 20 30 DGEDHN COc1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c([O-])c1 ZINC000373478215 433154382 /nfs/dbraw/zinc/15/43/82/433154382.db2.gz FCJVEBQYRXYYFF-UHFFFAOYSA-N 0 3 308.381 3.114 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000280685632 433138244 /nfs/dbraw/zinc/13/82/44/433138244.db2.gz RCPYUTPBUVMYKM-CXAGYDPISA-N 0 3 320.389 3.064 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1CCC(C)CC1 ZINC000298442516 433142034 /nfs/dbraw/zinc/14/20/34/433142034.db2.gz CZZHARIRDCVWNX-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290591871 433108719 /nfs/dbraw/zinc/10/87/19/433108719.db2.gz QVOMPHQCEXDLHO-KRWDZBQOSA-N 0 3 304.409 3.313 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2cc(Cl)ccc2n1C ZINC000280621831 433112521 /nfs/dbraw/zinc/11/25/21/433112521.db2.gz LCOACISLXOZPSC-SJCJKPOMSA-N 0 3 319.836 3.298 20 30 DGEDHN Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000298401531 433120988 /nfs/dbraw/zinc/12/09/88/433120988.db2.gz JKYQXHHQXIMPSS-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000280779285 433170475 /nfs/dbraw/zinc/17/04/75/433170475.db2.gz IEOTUSDJHVQXPH-JQFCIGGWSA-N 0 3 311.372 3.223 20 30 DGEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(N2CCOCC2)c1 ZINC000361431989 433171084 /nfs/dbraw/zinc/17/10/84/433171084.db2.gz HZJZSLSUTWIVBO-AEFFLSMTSA-N 0 3 313.445 3.004 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(C)cn1)CCc1ccco1 ZINC000447304714 433182258 /nfs/dbraw/zinc/18/22/58/433182258.db2.gz MSAXXDBNNVGETO-UHFFFAOYSA-N 0 3 313.401 3.042 20 30 DGEDHN C#CC(C)(C)N(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000298628564 433198117 /nfs/dbraw/zinc/19/81/17/433198117.db2.gz VPLJHESJDKQJLW-UHFFFAOYSA-N 0 3 303.793 3.276 20 30 DGEDHN N#Cc1csc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425375089 433213723 /nfs/dbraw/zinc/21/37/23/433213723.db2.gz TWKSQGHVJCYNDU-INIZCTEOSA-N 0 3 302.443 3.401 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)(F)F)nc2)nc(C)n1 ZINC000453587502 433217186 /nfs/dbraw/zinc/21/71/86/433217186.db2.gz XTBDFPJGPSHKCO-GFCCVEGCSA-N 0 3 316.311 3.090 20 30 DGEDHN CC[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1 ZINC000447539623 433218914 /nfs/dbraw/zinc/21/89/14/433218914.db2.gz HINTVMZNIXFGKI-IBGZPJMESA-N 0 3 317.396 3.380 20 30 DGEDHN N#Cc1ccc(NC(=O)CCNC2(c3ccc(F)cc3)CC2)cc1 ZINC000341694335 433219203 /nfs/dbraw/zinc/21/92/03/433219203.db2.gz HBDWSIJHXLAMNP-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN N#CC(C(=O)c1ccnc(C2CC2)c1)c1cnc2ccccc2n1 ZINC000361541354 433231621 /nfs/dbraw/zinc/23/16/21/433231621.db2.gz OJYVKAQSDVLKCA-CQSZACIVSA-N 0 3 314.348 3.392 20 30 DGEDHN CC1(C)C[C@]1(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000291371300 433233381 /nfs/dbraw/zinc/23/33/81/433233381.db2.gz DCPMCEJYUBBHRQ-LJQANCHMSA-N 0 3 311.429 3.095 20 30 DGEDHN CC[C@H](NCc1ccc(OCCO)cc1)c1ccc(C#N)cc1 ZINC000447580917 433236319 /nfs/dbraw/zinc/23/63/19/433236319.db2.gz RAGLBFKXTOGRHN-IBGZPJMESA-N 0 3 310.397 3.170 20 30 DGEDHN C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000337855652 433265416 /nfs/dbraw/zinc/26/54/16/433265416.db2.gz LCYMLULQLPNPKO-CVEARBPZSA-N 0 3 317.481 3.042 20 30 DGEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000281582121 433313842 /nfs/dbraw/zinc/31/38/42/433313842.db2.gz NDEVVPCVWULFIW-QAPCUYQASA-N 0 3 321.424 3.279 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(CN2CCOCC2)cc1 ZINC000420925965 433320620 /nfs/dbraw/zinc/32/06/20/433320620.db2.gz XDRNFBZFDNLGED-IBGZPJMESA-N 0 3 300.446 3.059 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000413943834 433321467 /nfs/dbraw/zinc/32/14/67/433321467.db2.gz YYDIYTFBLBOIAU-GOSISDBHSA-N 0 3 320.433 3.176 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000425530342 433281910 /nfs/dbraw/zinc/28/19/10/433281910.db2.gz DWRHUQOOJTZTDV-LIRRHRJNSA-N 0 3 312.388 3.294 20 30 DGEDHN Cc1ccccc1OC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425548344 433292469 /nfs/dbraw/zinc/29/24/69/433292469.db2.gz YNYVZIBPPPHDKM-LPHOPBHVSA-N 0 3 324.424 3.299 20 30 DGEDHN CC(C)[C@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447851604 433305669 /nfs/dbraw/zinc/30/56/69/433305669.db2.gz TWZQVYHNLREAGX-MSOLQXFVSA-N 0 3 311.429 3.174 20 30 DGEDHN COc1cc(CN[C@@H](C)C[C@H](O)c2ccccc2)ccc1C#N ZINC000281685339 433346849 /nfs/dbraw/zinc/34/68/49/433346849.db2.gz MPGDPRYWXIRUST-KSSFIOAISA-N 0 3 310.397 3.169 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000375138295 433369755 /nfs/dbraw/zinc/36/97/55/433369755.db2.gz CFUAIHYIOVWCNU-UHFFFAOYSA-N 0 3 312.457 3.079 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000375012096 433332224 /nfs/dbraw/zinc/33/22/24/433332224.db2.gz JUFLUECFPDZABM-DLBZAZTESA-N 0 3 314.429 3.205 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000454245504 433340441 /nfs/dbraw/zinc/34/04/41/433340441.db2.gz XYPIBZUGDIQEIH-QGZVFWFLSA-N 0 3 301.434 3.089 20 30 DGEDHN C[C@H](CCC#N)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000299184025 433344393 /nfs/dbraw/zinc/34/43/93/433344393.db2.gz ZVKXMWOKSAJSNT-LLVKDONJSA-N 0 3 300.328 3.231 20 30 DGEDHN N#Cc1ccc(N2CCCN(Cc3ccccc3)CC2)c(F)c1 ZINC000301141311 433430131 /nfs/dbraw/zinc/43/01/31/433430131.db2.gz IGVYVQRADYUNJI-UHFFFAOYSA-N 0 3 309.388 3.410 20 30 DGEDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCC(C)(C)CC#N ZINC000414162516 433431994 /nfs/dbraw/zinc/43/19/94/433431994.db2.gz HGXFDYKLGIVULC-GFCCVEGCSA-N 0 3 303.406 3.244 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)O[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000361772280 433383931 /nfs/dbraw/zinc/38/39/31/433383931.db2.gz NTVIYRAPDZIONB-NXHRZFHOSA-N 0 3 322.493 3.127 20 30 DGEDHN Cc1ccc([C@H](CCn2cncn2)NCC(C)(C)CC#N)cc1 ZINC000414161047 433432476 /nfs/dbraw/zinc/43/24/76/433432476.db2.gz FAFRZGPGMUNRHS-KRWDZBQOSA-N 0 3 311.433 3.247 20 30 DGEDHN C=CCOc1ccc(CN2CCCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000448364875 433401280 /nfs/dbraw/zinc/40/12/80/433401280.db2.gz HAPVVTNOKWUSCA-NVXWUHKLSA-N 0 3 319.445 3.385 20 30 DGEDHN C=CCNC(=O)CN[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414113962 433405960 /nfs/dbraw/zinc/40/59/60/433405960.db2.gz SPTLWXFZEQXHRM-GOEBONIOSA-N 0 3 306.837 3.258 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H](C)Cc1ccc(OC)nc1 ZINC000414130357 433412956 /nfs/dbraw/zinc/41/29/56/433412956.db2.gz WKQIDSNXZBYVCL-HNNXBMFYSA-N 0 3 312.413 3.376 20 30 DGEDHN Cc1ccc2c(c1)CCN(CCC(=O)Nc1ccccc1C#N)C2 ZINC000361848138 433420690 /nfs/dbraw/zinc/42/06/90/433420690.db2.gz HFNIMXQKJXEWDI-UHFFFAOYSA-N 0 3 319.408 3.254 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000281946692 433439293 /nfs/dbraw/zinc/43/92/93/433439293.db2.gz JIDZAELRSHIXRW-IAGOWNOFSA-N 0 3 302.393 3.043 20 30 DGEDHN CCN(CC)[C@H](CNc1cccc(C#N)n1)c1cccc(OC)c1 ZINC000339214865 433441566 /nfs/dbraw/zinc/44/15/66/433441566.db2.gz GLGAAIJZKGSGLH-GOSISDBHSA-N 0 3 324.428 3.457 20 30 DGEDHN C#CCN(CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000281950722 433441855 /nfs/dbraw/zinc/44/18/55/433441855.db2.gz JOMUZGHXSOTFKI-UHFFFAOYSA-N 0 3 314.404 3.361 20 30 DGEDHN C=CCCOCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292071797 433448267 /nfs/dbraw/zinc/44/82/67/433448267.db2.gz HLMSZEOQXNKTEP-QAPCUYQASA-N 0 3 307.409 3.476 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000454537443 433470111 /nfs/dbraw/zinc/47/01/11/433470111.db2.gz HAOAUEOSELLZGO-JYJNAYRXSA-N 0 3 307.482 3.151 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCCC[C@@H]1O ZINC000351310353 433469379 /nfs/dbraw/zinc/46/93/79/433469379.db2.gz YRBFGUPJWNJVCZ-HIFRSBDPSA-N 0 3 324.371 3.143 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463534 433473550 /nfs/dbraw/zinc/47/35/50/433473550.db2.gz CLQFZZVSPNDKNE-WBMJQRKESA-N 0 3 308.385 3.369 20 30 DGEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1 ZINC000292156209 433485197 /nfs/dbraw/zinc/48/51/97/433485197.db2.gz KNTHZASDFGBQCS-HNAYVOBHSA-N 0 3 313.445 3.266 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)C1CCCCC1)OCC ZINC000339370092 433540356 /nfs/dbraw/zinc/54/03/56/433540356.db2.gz QXIFVAFWYSWBCJ-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN CC(C)Oc1ccc(NC(=O)CC2CCN(C)CC2)cc1C#N ZINC000292172719 433492712 /nfs/dbraw/zinc/49/27/12/433492712.db2.gz NUBVKECBPGVOBE-UHFFFAOYSA-N 0 3 315.417 3.016 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000421349974 433493455 /nfs/dbraw/zinc/49/34/55/433493455.db2.gz YDPVUXRTZPKVQZ-KUHUBIRLSA-N 0 3 311.404 3.478 20 30 DGEDHN CN(C)C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000421357699 433499925 /nfs/dbraw/zinc/49/99/25/433499925.db2.gz PZLOGGPVKPGLSW-GOSISDBHSA-N 0 3 315.367 3.229 20 30 DGEDHN C[C@@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(C#N)s1 ZINC000421356740 433501133 /nfs/dbraw/zinc/50/11/33/433501133.db2.gz YFSINJLUDINQJO-NSHDSACASA-N 0 3 317.389 3.266 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN([C@@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000292200948 433502922 /nfs/dbraw/zinc/50/29/22/433502922.db2.gz NUJQPTXTFARWEZ-SJLPKXTDSA-N 0 3 323.371 3.233 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)s3)n2)cc1 ZINC000355589029 433549488 /nfs/dbraw/zinc/54/94/88/433549488.db2.gz SHPMLWXOJNGOKK-UHFFFAOYSA-N 0 3 310.382 3.398 20 30 DGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455706677 433550749 /nfs/dbraw/zinc/55/07/49/433550749.db2.gz QNNUKIZMCQHSNM-UHFFFAOYSA-N 0 3 322.840 3.210 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000456011702 433561635 /nfs/dbraw/zinc/56/16/35/433561635.db2.gz VFLBVBQMCIGXAD-ZFWWWQNUSA-N 0 3 314.433 3.109 20 30 DGEDHN CC(C)[C@@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000292499329 433572644 /nfs/dbraw/zinc/57/26/44/433572644.db2.gz RZRWEPRYVQSVKK-MSOLQXFVSA-N 0 3 321.424 3.278 20 30 DGEDHN N#Cc1ccnc(N2CCCN(C3CCCC3)CC2)c1Cl ZINC000342347607 433628390 /nfs/dbraw/zinc/62/83/90/433628390.db2.gz KATZOYHIZRNGND-UHFFFAOYSA-N 0 3 304.825 3.061 20 30 DGEDHN CCc1nnc(NC[C@@H](C)N2CCC[C@@H](C)C2)c(C#N)c1CC ZINC000301625156 433646581 /nfs/dbraw/zinc/64/65/81/433646581.db2.gz PPWXPCRNGVUPAS-ZIAGYGMSSA-N 0 3 315.465 3.005 20 30 DGEDHN C=CCCCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456330303 433597825 /nfs/dbraw/zinc/59/78/25/433597825.db2.gz JDQYHYPYGVZJLE-QGZVFWFLSA-N 0 3 300.446 3.323 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C)cc1OC ZINC000282425085 433607201 /nfs/dbraw/zinc/60/72/01/433607201.db2.gz SWDBIOWIIRMGES-HOCLYGCPSA-N 0 3 305.418 3.259 20 30 DGEDHN COc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1C#N ZINC000376149732 433678663 /nfs/dbraw/zinc/67/86/63/433678663.db2.gz MIDYOOOCBRVIGS-WBVHZDCISA-N 0 3 314.429 3.205 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000362389091 433683972 /nfs/dbraw/zinc/68/39/72/433683972.db2.gz LVVZUVZKWZBLCO-CJNGLKHVSA-N 0 3 316.470 3.177 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000362391498 433689094 /nfs/dbraw/zinc/68/90/94/433689094.db2.gz XCSKUYGBHOJDDF-KGLIPLIRSA-N 0 3 316.470 3.320 20 30 DGEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000362335768 433650293 /nfs/dbraw/zinc/65/02/93/433650293.db2.gz MCOGKDZNFXCICL-KUHUBIRLSA-N 0 3 324.428 3.357 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000366907610 293003336 /nfs/dbraw/zinc/00/33/36/293003336.db2.gz BUSNYNZLRQFSGX-KSZLIROESA-N 0 3 302.393 3.213 20 30 DGEDHN C=C(C)CN1CCC(NCc2ncc(CSC)s2)CC1 ZINC000293440982 433740767 /nfs/dbraw/zinc/74/07/67/433740767.db2.gz BWSKWSUGXKJNCC-UHFFFAOYSA-N 0 3 311.520 3.136 20 30 DGEDHN CN(CCN(C)C1CC1)c1nc2c(cc1C#N)CCCC2(C)C ZINC000428203533 433753314 /nfs/dbraw/zinc/75/33/14/433753314.db2.gz YEBAKHQGPXXSJX-UHFFFAOYSA-N 0 3 312.461 3.098 20 30 DGEDHN Cc1nsc(NC[C@@H](c2ccc(F)cc2)N(C)C)c1C#N ZINC000283676331 433760539 /nfs/dbraw/zinc/76/05/39/433760539.db2.gz XFOSMXOGCKDFBD-AWEZNQCLSA-N 0 3 304.394 3.177 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cnc(CCc2ccccc2)s1 ZINC000449700990 433763621 /nfs/dbraw/zinc/76/36/21/433763621.db2.gz VECOORIUBABXOL-INIZCTEOSA-N 0 3 316.470 3.345 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC000449702279 433764648 /nfs/dbraw/zinc/76/46/48/433764648.db2.gz YICMQIWDNUHFCI-GFCCVEGCSA-N 0 3 304.217 3.419 20 30 DGEDHN Cc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000351910439 433784680 /nfs/dbraw/zinc/78/46/80/433784680.db2.gz RWUQJWDGJZEYFP-IBGZPJMESA-N 0 3 319.408 3.152 20 30 DGEDHN C[C@@H]1[C@@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)CCCN1C ZINC000343450052 433806240 /nfs/dbraw/zinc/80/62/40/433806240.db2.gz DZZSWLJBBYFJNA-BMIGLBTASA-N 0 3 316.355 3.279 20 30 DGEDHN C[C@@H](NCc1cccc(N2CCOCC2)c1)c1cccc(C#N)c1 ZINC000293641046 433810145 /nfs/dbraw/zinc/81/01/45/433810145.db2.gz HDTVULFHRHDIRC-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000376882488 433834132 /nfs/dbraw/zinc/83/41/32/433834132.db2.gz RRFBKBZNVPMSHC-AEFFLSMTSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434895981 433865578 /nfs/dbraw/zinc/86/55/78/433865578.db2.gz OFMUQBJXBCMSHF-LNLFQRSKSA-N 0 3 312.457 3.454 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)cc(OC)c1O ZINC000285247609 433924503 /nfs/dbraw/zinc/92/45/03/433924503.db2.gz SSUQZGFRNAWITO-IAGOWNOFSA-N 0 3 317.429 3.273 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)[C@](C)(C#N)CC)c1ccsc1 ZINC000285274644 433925163 /nfs/dbraw/zinc/92/51/63/433925163.db2.gz UACAELUBZJUHRU-ZBFHGGJFSA-N 0 3 307.463 3.187 20 30 DGEDHN C=CCC1(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000450122988 433983020 /nfs/dbraw/zinc/98/30/20/433983020.db2.gz UESDXWWLKISWGR-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000436297936 433936176 /nfs/dbraw/zinc/93/61/76/433936176.db2.gz XORRTUBXCUYQHH-VBHSOAQHSA-N 0 3 323.408 3.475 20 30 DGEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1c(F)cncc1F ZINC000285601449 434009168 /nfs/dbraw/zinc/00/91/68/434009168.db2.gz JHCSNWUOVPXKKZ-LBPRGKRZSA-N 0 3 309.360 3.111 20 30 DGEDHN CSc1ccc([C@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000294145918 434014987 /nfs/dbraw/zinc/01/49/87/434014987.db2.gz QSMIXOUCCAANAH-KRWDZBQOSA-N 0 3 312.442 3.390 20 30 DGEDHN CC[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(CC)CC ZINC000416095374 434016700 /nfs/dbraw/zinc/01/67/00/434016700.db2.gz GWZMALDUJQNICP-QZTJIDSGSA-N 0 3 313.445 3.172 20 30 DGEDHN C[C@H]1CC[C@H](CN2CCC(Oc3ccc(C#N)cc3F)CC2)O1 ZINC000285577477 433996825 /nfs/dbraw/zinc/99/68/25/433996825.db2.gz UWDFESFMARFGMS-XJKSGUPXSA-N 0 3 318.392 3.108 20 30 DGEDHN C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000450257392 434062454 /nfs/dbraw/zinc/06/24/54/434062454.db2.gz LJLDKCYJSZSYBQ-QWHCGFSZSA-N 0 3 302.378 3.141 20 30 DGEDHN CN(C)[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 ZINC000416226356 434063740 /nfs/dbraw/zinc/06/37/40/434063740.db2.gz UXJNFGFGQBNHRR-IAGOWNOFSA-N 0 3 313.445 3.220 20 30 DGEDHN COc1cccc(COCCN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353256331 434068671 /nfs/dbraw/zinc/06/86/71/434068671.db2.gz PGZXUIGVDCWZJM-FQEVSTJZSA-N 0 3 322.408 3.361 20 30 DGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 ZINC000353176711 434069012 /nfs/dbraw/zinc/06/90/12/434069012.db2.gz IRUWENZHPVSMAK-CYBMUJFWSA-N 0 3 306.369 3.164 20 30 DGEDHN CC[C@]1(C(C)C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457314329 434096784 /nfs/dbraw/zinc/09/67/84/434096784.db2.gz YOSZGPQVOXGYCK-YQVWRLOYSA-N 0 3 309.413 3.181 20 30 DGEDHN C=CCN1CCC(NC(=O)c2oc3ccccc3c2CC)CC1 ZINC000294512320 434119732 /nfs/dbraw/zinc/11/97/32/434119732.db2.gz GDBZZUYLKQUBLA-UHFFFAOYSA-N 0 3 312.413 3.375 20 30 DGEDHN N#CC(C(=O)NC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000416398036 434123152 /nfs/dbraw/zinc/12/31/52/434123152.db2.gz LZCGIWFOHNEGIB-GFCCVEGCSA-N 0 3 311.307 3.156 20 30 DGEDHN COc1ccc(CN2CCCCC[C@H]2C[C@H](C)O)cc1C#N ZINC000286049430 434149537 /nfs/dbraw/zinc/14/95/37/434149537.db2.gz RAWJFHJWGWBQIE-YOEHRIQHSA-N 0 3 302.418 3.082 20 30 DGEDHN C=CCc1cc(CN2CCCOC(C)(C)C2)cc(OC)c1O ZINC000378344674 434154279 /nfs/dbraw/zinc/15/42/79/434154279.db2.gz BMHKPJLVBLEQOZ-UHFFFAOYSA-N 0 3 305.418 3.130 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc(OCC)c2O)cc1 ZINC000295071127 434178966 /nfs/dbraw/zinc/17/89/66/434178966.db2.gz RBAFHTNIKJHNCK-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C#CCOc1ccc(C[NH2+]Cc2cccc(OCC)c2[O-])cc1 ZINC000295071127 434178975 /nfs/dbraw/zinc/17/89/75/434178975.db2.gz RBAFHTNIKJHNCK-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN CN1CCC(Oc2ccc(CNc3ccc(C#N)nc3)cc2)CC1 ZINC000286149621 434180797 /nfs/dbraw/zinc/18/07/97/434180797.db2.gz BCHNAKGFMJOJHR-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN CN(CCNc1nc(Cl)c(C#N)s1)Cc1ccccc1 ZINC000286245889 434210345 /nfs/dbraw/zinc/21/03/45/434210345.db2.gz ILLMJFBLONRZFA-UHFFFAOYSA-N 0 3 306.822 3.212 20 30 DGEDHN CN(CCCN(C)c1ccc(Cl)c(C#N)n1)Cc1ccco1 ZINC000286391022 434255595 /nfs/dbraw/zinc/25/55/95/434255595.db2.gz MQFCTWVDLRDMNR-UHFFFAOYSA-N 0 3 318.808 3.158 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(N3CCC3=O)c1)CC2 ZINC000353597707 434258634 /nfs/dbraw/zinc/25/86/34/434258634.db2.gz QWKPIACBCVLRHO-IBGZPJMESA-N 0 3 317.392 3.072 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCSCC#N ZINC000347571436 434269135 /nfs/dbraw/zinc/26/91/35/434269135.db2.gz RBZKMLDSUBPBRN-IRXDYDNUSA-N 0 3 317.502 3.228 20 30 DGEDHN C=CCN1CCC(NC(=O)C2CC(c3cccc(F)c3)C2)CC1 ZINC000364740085 434282086 /nfs/dbraw/zinc/28/20/86/434282086.db2.gz YINOVHSDYOSZRK-UHFFFAOYSA-N 0 3 316.420 3.086 20 30 DGEDHN N#CC1(CCCN2CCC=C(c3cccnc3)C2)CCOCC1 ZINC000295274756 434284895 /nfs/dbraw/zinc/28/48/95/434284895.db2.gz ZPJXJKNFJMDQDX-UHFFFAOYSA-N 0 3 311.429 3.271 20 30 DGEDHN O=C(Nc1nccn1-c1ccccc1)C1CCN(C2CC2)CC1 ZINC000328665094 434297183 /nfs/dbraw/zinc/29/71/83/434297183.db2.gz BXJVGMKRHITRME-UHFFFAOYSA-N 0 3 310.401 3.335 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncccc2Br)CC1 ZINC000287187536 434307673 /nfs/dbraw/zinc/30/76/73/434307673.db2.gz HNYOYADYVSEEMT-UHFFFAOYSA-N 0 3 310.239 3.297 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000328771885 434308545 /nfs/dbraw/zinc/30/85/45/434308545.db2.gz RIGVHWCVTYQITL-DOMZBBRYSA-N 0 3 303.431 3.209 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1F ZINC000328908758 434323822 /nfs/dbraw/zinc/32/38/22/434323822.db2.gz MINGFGNSHFCAOJ-RHSMWYFYSA-N 0 3 319.380 3.209 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2nsnc2c1 ZINC000329129163 434363467 /nfs/dbraw/zinc/36/34/67/434363467.db2.gz ZWQOFYLPDWGRET-NEPJUHHUSA-N 0 3 318.446 3.116 20 30 DGEDHN C=CCOCCN[C@@H]1CCc2sc(Br)cc21 ZINC000390637666 434364491 /nfs/dbraw/zinc/36/44/91/434364491.db2.gz JYBFMXLDWUITKQ-SNVBAGLBSA-N 0 3 302.237 3.290 20 30 DGEDHN Cc1ccsc1CC[NH+]=C([O-])N1CCC(c2c[nH]cn2)CC1 ZINC000329310311 434391547 /nfs/dbraw/zinc/39/15/47/434391547.db2.gz PMBWRLPJHHDUKD-UHFFFAOYSA-N 0 3 318.446 3.116 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000450677089 434335889 /nfs/dbraw/zinc/33/58/89/434335889.db2.gz YIZHOVDOXPGBRT-BEFAXECRSA-N 0 3 306.409 3.302 20 30 DGEDHN CN(C[C@H](O)c1ccccc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC000295414652 434354381 /nfs/dbraw/zinc/35/43/81/434354381.db2.gz UNEJQYUWMDDYPQ-ZOWXZIJZSA-N 0 3 323.234 3.107 20 30 DGEDHN N#CCOc1ccc(CN2CCC=C(c3cccnc3)C2)cc1 ZINC000295937623 434442775 /nfs/dbraw/zinc/44/27/75/434442775.db2.gz KSFBUMQMAFYBOG-UHFFFAOYSA-N 0 3 305.381 3.273 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450852775 434442812 /nfs/dbraw/zinc/44/28/12/434442812.db2.gz DKSGXYKNTBIXRG-JQHSSLGASA-N 0 3 312.413 3.004 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC000329392589 434404719 /nfs/dbraw/zinc/40/47/19/434404719.db2.gz VWKCHARSEOJKJB-AWEZNQCLSA-N 0 3 300.406 3.050 20 30 DGEDHN CC[C@@H](NCC(=O)N1Cc2ccccc2C1)c1ccc(C#N)cc1 ZINC000359080802 434411988 /nfs/dbraw/zinc/41/19/88/434411988.db2.gz JZZLVECHTAWLBL-LJQANCHMSA-N 0 3 319.408 3.141 20 30 DGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(C#N)cc1Cl ZINC000359338205 434418146 /nfs/dbraw/zinc/41/81/46/434418146.db2.gz BDVXQSKQIJMHIB-UHFFFAOYSA-N 0 3 308.813 3.016 20 30 DGEDHN C[C@H](NC(=O)CNC(=O)CC1CCCC1)C1=CCN(C)CC1 ZINC000329694152 434461625 /nfs/dbraw/zinc/46/16/25/434461625.db2.gz COZBFBJJMCLPHH-ZDUSSCGKSA-N 0 3 307.438 3.130 20 30 DGEDHN CC(C)C[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1 ZINC000329911760 434502970 /nfs/dbraw/zinc/50/29/70/434502970.db2.gz WORUKQSNNFJYLY-HOTGVXAUSA-N 0 3 318.465 3.118 20 30 DGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccs1 ZINC000329649913 434454151 /nfs/dbraw/zinc/45/41/51/434454151.db2.gz FNQYVEYXJSCSGI-XUJVJEKNSA-N 0 3 321.446 3.206 20 30 DGEDHN C=CCC1(NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCCCC1 ZINC000458520396 434544747 /nfs/dbraw/zinc/54/47/47/434544747.db2.gz OQVNMBJMBWSWBA-GJZGRUSLSA-N 0 3 305.466 3.190 20 30 DGEDHN C#Cc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000367322105 434544821 /nfs/dbraw/zinc/54/48/21/434544821.db2.gz NJHREVQHPJSXRC-UHFFFAOYSA-N 0 3 324.468 3.283 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCCCC1 ZINC000458560014 434545512 /nfs/dbraw/zinc/54/55/12/434545512.db2.gz QICWIFGYSSOSII-GDBMZVCRSA-N 0 3 305.466 3.047 20 30 DGEDHN N#CCC[C@H](NC(=O)NC[C@H](N)c1ccccc1)c1ccccc1 ZINC000417925268 434550765 /nfs/dbraw/zinc/55/07/65/434550765.db2.gz YBWJQZXMTUAWNU-ROUUACIJSA-N 0 3 322.412 3.031 20 30 DGEDHN COc1cc(CN(CCN(C)C)Cc2ccccc2)ccc1C#N ZINC000348918864 434553806 /nfs/dbraw/zinc/55/38/06/434553806.db2.gz CWXASNCITXOTOP-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN C=CC[C@H](C)NCc1ccc(F)cc1I ZINC000417943951 434553911 /nfs/dbraw/zinc/55/39/11/434553911.db2.gz VMZFXGIMJPCOSL-VIFPVBQESA-N 0 3 319.161 3.485 20 30 DGEDHN COc1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1C#N ZINC000367682875 434555049 /nfs/dbraw/zinc/55/50/49/434555049.db2.gz HJVNLOJXGHCFDP-DOTOQJQBSA-N 0 3 314.429 3.205 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(c2c(C#N)cccc2C#N)C1 ZINC000368912924 434585636 /nfs/dbraw/zinc/58/56/36/434585636.db2.gz FWFQJHPVRDDJGV-IBGZPJMESA-N 0 3 316.408 3.141 20 30 DGEDHN Cc1ccc(CN(CCN(C)C)Cc2cc(C#N)cs2)o1 ZINC000349061310 434591464 /nfs/dbraw/zinc/59/14/64/434591464.db2.gz IPAXNPDBHJCUQI-UHFFFAOYSA-N 0 3 303.431 3.085 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCCC[C@H]1c1ccccc1 ZINC000329746629 295384015 /nfs/dbraw/zinc/38/40/15/295384015.db2.gz RXCNZWMSLZMDKH-QAPCUYQASA-N 0 3 324.428 3.408 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCC[C@H]1c1ccccc1 ZINC000329746629 295384017 /nfs/dbraw/zinc/38/40/17/295384017.db2.gz RXCNZWMSLZMDKH-QAPCUYQASA-N 0 3 324.428 3.408 20 30 DGEDHN CCCc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424071033 434614884 /nfs/dbraw/zinc/61/48/84/434614884.db2.gz YWNGSUTWPSISMU-ZWKOTPCHSA-N 0 3 315.461 3.474 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)[C@@H](CC)Cc2ccccc2)C1=O ZINC000410410110 434645154 /nfs/dbraw/zinc/64/51/54/434645154.db2.gz GTAYDNVTVSAFSM-ZWKOTPCHSA-N 0 3 300.446 3.117 20 30 DGEDHN CC(C)(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424083289 434616338 /nfs/dbraw/zinc/61/63/38/434616338.db2.gz CUDXSNWVGIJIKQ-CABCVRRESA-N 0 3 305.397 3.050 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000424092064 434620449 /nfs/dbraw/zinc/62/04/49/434620449.db2.gz PHOSRCLMPSGQGV-GJZGRUSLSA-N 0 3 305.809 3.025 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000424102279 434621678 /nfs/dbraw/zinc/62/16/78/434621678.db2.gz AUERDTQYLWLFPL-GFCCVEGCSA-N 0 3 314.414 3.133 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)nnc2ccccc21)c1cccs1 ZINC000354103257 434621927 /nfs/dbraw/zinc/62/19/27/434621927.db2.gz UBUIGOBEDGMJHZ-OAHLLOKOSA-N 0 3 323.425 3.278 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000424097853 434622281 /nfs/dbraw/zinc/62/22/81/434622281.db2.gz RWMHNUORFNJJMS-HNNXBMFYSA-N 0 3 324.384 3.179 20 30 DGEDHN N#CC(C(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccncn1 ZINC000439582184 434625512 /nfs/dbraw/zinc/62/55/12/434625512.db2.gz RIUUJSAVIAVIQI-VIFPVBQESA-N 0 3 309.222 3.125 20 30 DGEDHN CCCCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1ccccc1 ZINC000424122216 434628850 /nfs/dbraw/zinc/62/88/50/434628850.db2.gz IYPOSMCMHTUGSV-NVXWUHKLSA-N 0 3 301.434 3.397 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](OC(C)C)C2)cc1OC ZINC000459627318 434638855 /nfs/dbraw/zinc/63/88/55/434638855.db2.gz DHGYRBRMEJACJL-IYBDPMFKSA-N 0 3 305.418 3.306 20 30 DGEDHN C=CCN1CC[C@H](N(CCC)[C@@H]2CCc3ccccc3C2)C1=O ZINC000410342518 434641944 /nfs/dbraw/zinc/64/19/44/434641944.db2.gz KVPYCUGGHNHCOM-MOPGFXCFSA-N 0 3 312.457 3.043 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000424171891 434643481 /nfs/dbraw/zinc/64/34/81/434643481.db2.gz MLFRYWPSPGJKPO-QZTJIDSGSA-N 0 3 313.445 3.021 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389417 434644284 /nfs/dbraw/zinc/64/42/84/434644284.db2.gz NOQAWTOYEZNUQM-ROUUACIJSA-N 0 3 300.446 3.035 20 30 DGEDHN COC(=O)CCN(Cc1ccc(C#N)cc1Cl)CC(C)C ZINC000439448697 434602597 /nfs/dbraw/zinc/60/25/97/434602597.db2.gz FBZIBSNUPVCOOZ-UHFFFAOYSA-N 0 3 308.809 3.233 20 30 DGEDHN CC[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)N(CC)CC ZINC000452648549 434669250 /nfs/dbraw/zinc/66/92/50/434669250.db2.gz RXBOVBGIZKAWND-OAHLLOKOSA-N 0 3 307.825 3.465 20 30 DGEDHN COc1ccc(CNCC(C)(C)CC#N)cc1OCCCC#N ZINC000459705302 434671135 /nfs/dbraw/zinc/67/11/35/434671135.db2.gz YEBCJPYGOUFBTR-UHFFFAOYSA-N 0 3 315.417 3.407 20 30 DGEDHN CC(C)(CC#N)CNCc1cc(Br)cc2c1OCC2 ZINC000459727641 434680843 /nfs/dbraw/zinc/68/08/43/434680843.db2.gz HLNJEWRTBOACJQ-UHFFFAOYSA-N 0 3 323.234 3.413 20 30 DGEDHN C=CCn1cc(CN[C@H](C)C2(c3ccccc3)CCCC2)nn1 ZINC000424290114 434681679 /nfs/dbraw/zinc/68/16/79/434681679.db2.gz BGSRMILIRJCYSN-MRXNPFEDSA-N 0 3 310.445 3.454 20 30 DGEDHN COc1cc(CNC[C@H](C)Oc2ccc(F)cc2)ccc1C#N ZINC000440817457 434745932 /nfs/dbraw/zinc/74/59/32/434745932.db2.gz PRIQDENEOHQJET-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN COc1cc(CNC[C@H](C)N(C)c2ccccc2)ccc1C#N ZINC000440819121 434746188 /nfs/dbraw/zinc/74/61/88/434746188.db2.gz VLBSYDJCTQPRFV-HNNXBMFYSA-N 0 3 309.413 3.181 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)c(OC)c1)C(C)C ZINC000440611052 434723336 /nfs/dbraw/zinc/72/33/36/434723336.db2.gz NEZSHVLJNZYLOW-SFHVURJKSA-N 0 3 318.417 3.024 20 30 DGEDHN Cc1cc(CN)cc(NC(=O)N(CCC#N)CCC(C)C)c1 ZINC000424442217 434726868 /nfs/dbraw/zinc/72/68/68/434726868.db2.gz XNPPHIRGNACBGX-UHFFFAOYSA-N 0 3 302.422 3.247 20 30 DGEDHN C[C@@H](CCC#N)N(C)CCOc1ccc(Br)cc1 ZINC000411157739 434732404 /nfs/dbraw/zinc/73/24/04/434732404.db2.gz NCULIGUKJOKWSX-LBPRGKRZSA-N 0 3 311.223 3.452 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)CC1(CC(=O)OC)CC1 ZINC000440714474 434738841 /nfs/dbraw/zinc/73/88/41/434738841.db2.gz PEMPADDZKGESIM-UHFFFAOYSA-N 0 3 303.402 3.027 20 30 DGEDHN COc1ccccc1[C@H](CN[C@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442636933 434770396 /nfs/dbraw/zinc/77/03/96/434770396.db2.gz VLMUWIJUNIFAET-RYRKJORJSA-N 0 3 313.445 3.114 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419365282 434777524 /nfs/dbraw/zinc/77/75/24/434777524.db2.gz XRDNVANADZXHJH-KUHUBIRLSA-N 0 3 313.445 3.269 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000424721274 434788505 /nfs/dbraw/zinc/78/85/05/434788505.db2.gz LIVCAZKIUIXVIQ-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)N(CC)C[C@@H](C)C#N)CCCC1(C)C ZINC000444782342 434790872 /nfs/dbraw/zinc/79/08/72/434790872.db2.gz QPUFOBMATYCBPK-HOTGVXAUSA-N 0 3 305.466 3.061 20 30 DGEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000361081389 434791379 /nfs/dbraw/zinc/79/13/79/434791379.db2.gz YUWMYGQIRXPGLE-QMMMGPOBSA-N 0 3 315.598 3.221 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053524 434862725 /nfs/dbraw/zinc/86/27/25/434862725.db2.gz FMGSVFHRPSICBO-YJBOKZPZSA-N 0 3 311.429 3.096 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](NCCC1(C#N)CCCCC1)C(N)=O ZINC000411758222 434827598 /nfs/dbraw/zinc/82/75/98/434827598.db2.gz MQZVYXFRTWSZTP-RDJZCZTQSA-N 0 3 313.445 3.098 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000411876976 434840826 /nfs/dbraw/zinc/84/08/26/434840826.db2.gz BUHRQEUDGYRQQF-KYJSFNMBSA-N 0 3 301.434 3.170 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCCC(C)(C)C1 ZINC000446075790 434847946 /nfs/dbraw/zinc/84/79/46/434847946.db2.gz BKWMAQFNUZFZFF-HNNXBMFYSA-N 0 3 305.466 3.230 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000372892905 434860743 /nfs/dbraw/zinc/86/07/43/434860743.db2.gz SYFVXJVHSHNASL-HKUYNNGSSA-N 0 3 312.457 3.474 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000573376153 434894787 /nfs/dbraw/zinc/89/47/87/434894787.db2.gz IZRJVOYGTUNRJV-NVXWUHKLSA-N 0 3 304.390 3.134 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)/C=C\c1cccc(C#N)c1 ZINC000492004806 434897568 /nfs/dbraw/zinc/89/75/68/434897568.db2.gz CHLPLJQRSOZRLW-KHPPLWFESA-N 0 3 319.408 3.314 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000492078900 434911131 /nfs/dbraw/zinc/91/11/31/434911131.db2.gz HTNYNQQFFUSMHA-IAGOWNOFSA-N 0 3 301.434 3.039 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CNCc2ccccc21 ZINC000573681395 434917277 /nfs/dbraw/zinc/91/72/77/434917277.db2.gz YUMROMHMEJBDLN-GOSISDBHSA-N 0 3 324.399 3.227 20 30 DGEDHN C[C@H](Cc1ccsc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000573060982 434871260 /nfs/dbraw/zinc/87/12/60/434871260.db2.gz PYUYUPSSEFFOBW-CJNGLKHVSA-N 0 3 313.426 3.099 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])C(C)C ZINC000463046821 434940556 /nfs/dbraw/zinc/94/05/56/434940556.db2.gz ALRFVLJVAGOJQH-INIZCTEOSA-N 0 3 318.421 3.409 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccc3[nH]ccc3c2)CC1 ZINC000492315366 434958262 /nfs/dbraw/zinc/95/82/62/434958262.db2.gz BBWZRVOMPDPIAY-XQRVVYSFSA-N 0 3 323.440 3.338 20 30 DGEDHN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)OC ZINC000463424977 434959289 /nfs/dbraw/zinc/95/92/89/434959289.db2.gz FQHPIXQCRNIJMH-CYBMUJFWSA-N 0 3 315.335 3.294 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000522467685 434923831 /nfs/dbraw/zinc/92/38/31/434923831.db2.gz YJRIZKIOCSZWRG-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000522645293 434928244 /nfs/dbraw/zinc/92/82/44/434928244.db2.gz MXULPEFEUNKPDU-IAGOWNOFSA-N 0 3 314.473 3.410 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC000464044311 434975721 /nfs/dbraw/zinc/97/57/21/434975721.db2.gz GKUNVCSRZDHZKW-ZWKOTPCHSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(CCC(C)(C)C(=O)OC)Cc1ccc(OC)cc1 ZINC000527509734 435013238 /nfs/dbraw/zinc/01/32/38/435013238.db2.gz BALULSNQCQSWNB-UHFFFAOYSA-N 0 3 305.418 3.273 20 30 DGEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000527797264 435015117 /nfs/dbraw/zinc/01/51/17/435015117.db2.gz CMHVKSIDPSWMPF-MSOLQXFVSA-N 0 3 302.418 3.415 20 30 DGEDHN N#Cc1c2c(cnc1NC[C@H]1CCN1C1CCCCC1)CCC2 ZINC000528118143 435020136 /nfs/dbraw/zinc/02/01/36/435020136.db2.gz PCUFBXQQEUCMMU-MRXNPFEDSA-N 0 3 310.445 3.261 20 30 DGEDHN C#CC[C@@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000492610054 435021507 /nfs/dbraw/zinc/02/15/07/435021507.db2.gz RIJLNJASCIINMM-GDBMZVCRSA-N 0 3 302.418 3.254 20 30 DGEDHN COC(=O)c1cccc(CN2CCC[C@H]2CC(C)C)c1C#N ZINC000555642359 434983062 /nfs/dbraw/zinc/98/30/62/434983062.db2.gz IUMYURRGITZPFR-HNNXBMFYSA-N 0 3 300.402 3.355 20 30 DGEDHN CN(C[C@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1)C1CC1 ZINC000574684394 434996733 /nfs/dbraw/zinc/99/67/33/434996733.db2.gz FKUBPOLGOJYKEI-IBGZPJMESA-N 0 3 322.408 3.059 20 30 DGEDHN Cc1cccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)(C)C)c1 ZINC000527377459 435011258 /nfs/dbraw/zinc/01/12/58/435011258.db2.gz VUUVIFPEVHYMJL-KRWDZBQOSA-N 0 3 313.445 3.234 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2cccs2)cc1 ZINC000527318268 435012383 /nfs/dbraw/zinc/01/23/83/435012383.db2.gz BYHGULCRJDJWDZ-MRXNPFEDSA-N 0 3 323.421 3.051 20 30 DGEDHN CC[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(CC)CC ZINC000576874699 435058685 /nfs/dbraw/zinc/05/86/85/435058685.db2.gz JUSWUCAECNSZGI-INIZCTEOSA-N 0 3 305.397 3.193 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1[C@@H](C)CC[C@@H]1C)C(C)C ZINC000466222862 435066890 /nfs/dbraw/zinc/06/68/90/435066890.db2.gz HCPZWYUGEGMBBL-YESZJQIVSA-N 0 3 307.482 3.267 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000465859280 435048838 /nfs/dbraw/zinc/04/88/38/435048838.db2.gz KEAVWDWACHSLTG-JFIYKMOQSA-N 0 3 319.493 3.295 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000575863749 435053379 /nfs/dbraw/zinc/05/33/79/435053379.db2.gz NIHKAJYFZUTLLQ-BXUZGUMPSA-N 0 3 316.792 3.214 20 30 DGEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000576037836 435054024 /nfs/dbraw/zinc/05/40/24/435054024.db2.gz YQDMEHKDNBTMPS-KRWDZBQOSA-N 0 3 309.413 3.327 20 30 DGEDHN C[C@@H](N[C@@H]1CCC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558460961 435092327 /nfs/dbraw/zinc/09/23/27/435092327.db2.gz ZTAOLSZUVDXFJW-QMTHXVAHSA-N 0 3 317.458 3.214 20 30 DGEDHN Cc1cccc(NC(=O)C[C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000532196426 435146012 /nfs/dbraw/zinc/14/60/12/435146012.db2.gz NHYSNWXWIQZOIE-OAHLLOKOSA-N 0 3 307.397 3.374 20 30 DGEDHN CN(C[C@H]1CCCN1CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000494708402 435197849 /nfs/dbraw/zinc/19/78/49/435197849.db2.gz BXTLTTRWWRSKOT-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000560172674 435151412 /nfs/dbraw/zinc/15/14/12/435151412.db2.gz BWCBVJINUOYDOE-LAUBAEHRSA-N 0 3 319.452 3.478 20 30 DGEDHN C[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000579552756 435164355 /nfs/dbraw/zinc/16/43/55/435164355.db2.gz DXQIPKFAPQYARE-VKJFTORMSA-N 0 3 311.429 3.174 20 30 DGEDHN CCN(Cc1ccc(C#N)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000580211677 435213606 /nfs/dbraw/zinc/21/36/06/435213606.db2.gz FTOPOAXIOWCCIC-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN C=CCCCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496488084 435215101 /nfs/dbraw/zinc/21/51/01/435215101.db2.gz SVJSISAUVDWXKE-UHFFFAOYSA-N 0 3 300.402 3.358 20 30 DGEDHN CC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000533298286 435224846 /nfs/dbraw/zinc/22/48/46/435224846.db2.gz OOGQWCHHSGZGJD-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496276939 435210288 /nfs/dbraw/zinc/21/02/88/435210288.db2.gz SBHYYMZXWJVWHB-YOEHRIQHSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC1CCC1)C(C)C ZINC000476295563 435228209 /nfs/dbraw/zinc/22/82/09/435228209.db2.gz VBRXUVNCQXYBQF-QGZVFWFLSA-N 0 3 307.482 3.127 20 30 DGEDHN C[C@@H]1C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)CO1 ZINC000580430701 435232940 /nfs/dbraw/zinc/23/29/40/435232940.db2.gz RKBBUCHUBANDOD-BEFAXECRSA-N 0 3 322.408 3.404 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000496749536 435250310 /nfs/dbraw/zinc/25/03/10/435250310.db2.gz BXSADLKHPPRYIF-UONOGXRCSA-N 0 3 307.438 3.106 20 30 DGEDHN CC[C@H](CC#N)NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496746595 435248732 /nfs/dbraw/zinc/24/87/32/435248732.db2.gz WCOOXSBGTGOWTN-OAHLLOKOSA-N 0 3 309.454 3.305 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000496879162 298365090 /nfs/dbraw/zinc/36/50/90/298365090.db2.gz BILCSDQCVLEJKC-QAPCUYQASA-N 0 3 321.465 3.402 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCSC1 ZINC000583907791 435253674 /nfs/dbraw/zinc/25/36/74/435253674.db2.gz YMFKTPUARNHIRN-CVEARBPZSA-N 0 3 302.443 3.018 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(C)(C#N)CC2)C1 ZINC000496949333 435275930 /nfs/dbraw/zinc/27/59/30/435275930.db2.gz YGJYOXJMPXOERK-HNNXBMFYSA-N 0 3 321.465 3.259 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2ccccc2CO1 ZINC000566351395 435286917 /nfs/dbraw/zinc/28/69/17/435286917.db2.gz XIWFUQKVQQVCMI-INIZCTEOSA-N 0 3 306.365 3.233 20 30 DGEDHN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000566680445 435288346 /nfs/dbraw/zinc/28/83/46/435288346.db2.gz GVTNKHRMWKOPRA-ROUUACIJSA-N 0 3 313.445 3.495 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000500149263 435303631 /nfs/dbraw/zinc/30/36/31/435303631.db2.gz NVQBDFVSSLKBPO-NVXWUHKLSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000478646238 435306251 /nfs/dbraw/zinc/30/62/51/435306251.db2.gz FCVYTMGBJKXZMM-HZPDHXFCSA-N 0 3 316.445 3.244 20 30 DGEDHN C[C@H]1CN(c2ccccc2CN2CCC(CC#N)CC2)CCO1 ZINC000562685619 435261873 /nfs/dbraw/zinc/26/18/73/435261873.db2.gz RRHDOPKMGLMQFZ-INIZCTEOSA-N 0 3 313.445 3.037 20 30 DGEDHN C=CCOCCN[C@@H]1CCc2c1ccc(F)c2Br ZINC000648510117 435325044 /nfs/dbraw/zinc/32/50/44/435325044.db2.gz VXABHIGCHHLPCF-CYBMUJFWSA-N 0 3 314.198 3.368 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc([C@H]3CCOC3)c2)nc(C)n1 ZINC000535650720 435341619 /nfs/dbraw/zinc/34/16/19/435341619.db2.gz LAYYEZULZCVOHO-IRXDYDNUSA-N 0 3 321.380 3.087 20 30 DGEDHN C=CCC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)C1CC1 ZINC000536838399 435413724 /nfs/dbraw/zinc/41/37/24/435413724.db2.gz IVGMRUYYKVZTPK-OAHLLOKOSA-N 0 3 300.381 3.445 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC000648773357 435417508 /nfs/dbraw/zinc/41/75/08/435417508.db2.gz FDOPNQNWXOMHAH-FQEVSTJZSA-N 0 3 312.457 3.047 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1conc1Cc1ccccc1 ZINC000567922025 435370189 /nfs/dbraw/zinc/37/01/89/435370189.db2.gz LMXOOSCUMBOJAD-LPHOPBHVSA-N 0 3 312.413 3.336 20 30 DGEDHN COc1ccc2c(c1)CCN(CCOc1cccc(C#N)c1)CC2 ZINC000536345810 435379912 /nfs/dbraw/zinc/37/99/12/435379912.db2.gz OSDVBTGYLLIABQ-UHFFFAOYSA-N 0 3 322.408 3.046 20 30 DGEDHN C=CCC[C@H](O)CN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000481821194 435444407 /nfs/dbraw/zinc/44/44/07/435444407.db2.gz DKJHSMCFHRQXIV-QAETUUGQSA-N 0 3 323.477 3.288 20 30 DGEDHN CCc1ccc([C@H](CO)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000515020004 435456708 /nfs/dbraw/zinc/45/67/08/435456708.db2.gz MLAVHGKHYBSILS-PMACEKPBSA-N 0 3 306.409 3.431 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000644650967 435478257 /nfs/dbraw/zinc/47/82/57/435478257.db2.gz ZVRJOJSWASNECN-QGZVFWFLSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000637324255 435425438 /nfs/dbraw/zinc/42/54/38/435425438.db2.gz SEMGCMDBHAGBRM-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537219045 435431825 /nfs/dbraw/zinc/43/18/25/435431825.db2.gz HWSLCKUZZPHHQE-IBGZPJMESA-N 0 3 316.420 3.375 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1Br ZINC000537351372 435439767 /nfs/dbraw/zinc/43/97/67/435439767.db2.gz GOZSNAIZERIPMY-SNVBAGLBSA-N 0 3 318.642 3.377 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000537399483 435441703 /nfs/dbraw/zinc/44/17/03/435441703.db2.gz VQYGFYCFBHMPCO-ZWKOTPCHSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000637622215 435488069 /nfs/dbraw/zinc/48/80/69/435488069.db2.gz ZIFACQSTTAFIJI-HOTGVXAUSA-N 0 3 307.482 3.105 20 30 DGEDHN N#CC1(NC(=O)CN[C@@H](c2cccs2)C2CC2)CCCCC1 ZINC000539364579 435548846 /nfs/dbraw/zinc/54/88/46/435548846.db2.gz DKNXXRGPMXLRBG-MRXNPFEDSA-N 0 3 317.458 3.131 20 30 DGEDHN C=CCN(CCOC)CCc1cccc(OC(F)(F)F)c1 ZINC000484659801 435551218 /nfs/dbraw/zinc/55/12/18/435551218.db2.gz BDAALXIRCZHXSA-UHFFFAOYSA-N 0 3 303.324 3.262 20 30 DGEDHN Cc1c(Cl)cnc(N2CCCN(C(C)(C)C)CC2)c1C#N ZINC000516808710 435554729 /nfs/dbraw/zinc/55/47/29/435554729.db2.gz NXWULRGIJZCWBN-UHFFFAOYSA-N 0 3 306.841 3.226 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN(C)CCCC ZINC000485474480 435568940 /nfs/dbraw/zinc/56/89/40/435568940.db2.gz CPCWUPBLIQMJQV-UHFFFAOYSA-N 0 3 306.475 3.426 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(c3ccncc3)CC2)CCCC1 ZINC000640442476 435587585 /nfs/dbraw/zinc/58/75/85/435587585.db2.gz DIQXDXMISOUHLR-UHFFFAOYSA-N 0 3 313.445 3.257 20 30 DGEDHN CC(C)[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCN1C ZINC000487060292 435624308 /nfs/dbraw/zinc/62/43/08/435624308.db2.gz KHPDKNSCFKPGGK-HNNXBMFYSA-N 0 3 311.351 3.353 20 30 DGEDHN Cc1cc(CN(CCO)[C@H]2CCc3ccccc32)ccc1C#N ZINC000488173703 435636105 /nfs/dbraw/zinc/63/61/05/435636105.db2.gz FLFCPNXZGBKXDS-FQEVSTJZSA-N 0 3 306.409 3.349 20 30 DGEDHN C=C(CC)CN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000540342744 435598183 /nfs/dbraw/zinc/59/81/83/435598183.db2.gz PDINGLSDFGLDNJ-OAHLLOKOSA-N 0 3 324.490 3.334 20 30 DGEDHN C#CCN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000490739586 435676855 /nfs/dbraw/zinc/67/68/55/435676855.db2.gz FDHZSHNAVIIGPP-MRXNPFEDSA-N 0 3 315.214 3.351 20 30 DGEDHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000571284715 435695127 /nfs/dbraw/zinc/69/51/27/435695127.db2.gz LXGIMRXSEFLDKV-XJKSGUPXSA-N 0 3 311.433 3.248 20 30 DGEDHN C[C@]12CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000571332411 435696188 /nfs/dbraw/zinc/69/61/88/435696188.db2.gz WMXNHGCKEUYFQH-NOVWEMISSA-N 0 3 311.385 3.334 20 30 DGEDHN CN(C)[C@H](CNc1ncc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000571383390 435700995 /nfs/dbraw/zinc/70/09/95/435700995.db2.gz FVTMCWUDMQCZRL-OAHLLOKOSA-N 0 3 318.783 3.461 20 30 DGEDHN C=CCN(CCc1ccco1)CCc1nc2ccccc2n1C ZINC000491342616 435733353 /nfs/dbraw/zinc/73/33/53/435733353.db2.gz JWOQMEJBWHURMH-UHFFFAOYSA-N 0 3 309.413 3.440 20 30 DGEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCC(C(C)(C)C)CC1 ZINC000520528320 435754577 /nfs/dbraw/zinc/75/45/77/435754577.db2.gz ALCLCBATELCIGH-GSQSYGFSSA-N 0 3 319.493 3.332 20 30 DGEDHN CC[C@H](C)N(Cc1ccccc1)Cc1cnc2c(C#N)cnn2c1 ZINC000571443449 435707216 /nfs/dbraw/zinc/70/72/16/435707216.db2.gz LRXKUNOSIVMQQA-HNNXBMFYSA-N 0 3 319.412 3.402 20 30 DGEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491672742 435791425 /nfs/dbraw/zinc/79/14/25/435791425.db2.gz USYGCVZLKWMYKM-WCQYABFASA-N 0 3 308.809 3.067 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cscc1-c1ccccc1 ZINC000491671173 435791675 /nfs/dbraw/zinc/79/16/75/435791675.db2.gz WPTBUUXUPKTOAW-UHFFFAOYSA-N 0 3 312.438 3.100 20 30 DGEDHN C#CCNC(=O)C1CCN([C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000491673888 435791814 /nfs/dbraw/zinc/79/18/14/435791814.db2.gz WIWFFMJTNKKBMO-KRWDZBQOSA-N 0 3 318.848 3.253 20 30 DGEDHN C#C[C@@H](NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000491734601 435801513 /nfs/dbraw/zinc/80/15/13/435801513.db2.gz SGDVNATWSGGDEA-GOSISDBHSA-N 0 3 309.388 3.154 20 30 DGEDHN C#C[C@@H](N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(C)C ZINC000491737528 435803496 /nfs/dbraw/zinc/80/34/96/435803496.db2.gz QMXQFUXLXOSMDJ-TZMCWYRMSA-N 0 3 322.836 3.313 20 30 DGEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000641937365 435845219 /nfs/dbraw/zinc/84/52/19/435845219.db2.gz NCRVAZHKSDYFIX-QLBOMPFWSA-N 0 3 319.445 3.366 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000641939516 435847246 /nfs/dbraw/zinc/84/72/46/435847246.db2.gz DAORDSXFMPPXLL-ZDUSSCGKSA-N 0 3 316.228 3.407 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000551708163 435850162 /nfs/dbraw/zinc/85/01/62/435850162.db2.gz KEWOTVGXSZJBSR-LAUBAEHRSA-N 0 3 319.452 3.478 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C3CCCCC3)C2)CC1 ZINC000660707069 435867481 /nfs/dbraw/zinc/86/74/81/435867481.db2.gz LMAGFHLPKUJGNI-KRWDZBQOSA-N 0 3 319.493 3.249 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000660612952 435824350 /nfs/dbraw/zinc/82/43/50/435824350.db2.gz YSKASHZNLNSHIN-VQHPVUNQSA-N 0 3 305.466 3.142 20 30 DGEDHN C=C(C)COc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000656256121 435925196 /nfs/dbraw/zinc/92/51/96/435925196.db2.gz SNNHQNVWAKRKNH-GOSISDBHSA-N 0 3 316.445 3.307 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCCC12CCN(C)CC2 ZINC000665390530 435966657 /nfs/dbraw/zinc/96/66/57/435966657.db2.gz ICAQFTWANGTLJE-IRXDYDNUSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC12CCN(C)CC2 ZINC000665390531 435966946 /nfs/dbraw/zinc/96/69/46/435966946.db2.gz ICAQFTWANGTLJE-SJORKVTESA-N 0 3 319.493 3.391 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000665389148 435967158 /nfs/dbraw/zinc/96/71/58/435967158.db2.gz CDZNGTSKXNHXTB-NXHRZFHOSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nnc(C(C)C)s1 ZINC000661114814 435969681 /nfs/dbraw/zinc/96/96/81/435969681.db2.gz MSRDSIUESGNWGS-OLZOCXBDSA-N 0 3 322.478 3.325 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccccc1SC)[C@@H](C)COC ZINC000661244476 436007761 /nfs/dbraw/zinc/00/77/61/436007761.db2.gz UWVBFWLVKRNATB-AWEZNQCLSA-N 0 3 322.474 3.260 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000661255221 436010901 /nfs/dbraw/zinc/01/09/01/436010901.db2.gz FZLNPJBHORFERT-OKZBNKHCSA-N 0 3 319.493 3.390 20 30 DGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000661380578 436048582 /nfs/dbraw/zinc/04/85/82/436048582.db2.gz OGTQOBGHNCECFP-CABCVRRESA-N 0 3 302.418 3.310 20 30 DGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000661379579 436050831 /nfs/dbraw/zinc/05/08/31/436050831.db2.gz ZUZQWPOHCUCULY-LSDHHAIUSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCCNC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000665945105 436102256 /nfs/dbraw/zinc/10/22/56/436102256.db2.gz AFLOIGHCRVPAIJ-AEFFLSMTSA-N 0 3 315.461 3.430 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000656858509 436062762 /nfs/dbraw/zinc/06/27/62/436062762.db2.gz SSSWJNSLHXGZOA-KBPBESRZSA-N 0 3 303.368 3.469 20 30 DGEDHN C=CCCn1cc(CNCC[C@H](C)c2ccc(OC)cc2)nn1 ZINC000657377082 436166326 /nfs/dbraw/zinc/16/63/26/436166326.db2.gz YDSJAFNLHFZHRA-HNNXBMFYSA-N 0 3 314.433 3.146 20 30 DGEDHN C[C@@]12COC[C@@H]1CN(CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000661709534 436162149 /nfs/dbraw/zinc/16/21/49/436162149.db2.gz XLNUXAQSAXYQSE-JKSUJKDBSA-N 0 3 309.331 3.025 20 30 DGEDHN C=CCN(CC(=O)NCc1ccccc1COCC)C(C)(C)C ZINC000661756364 436178825 /nfs/dbraw/zinc/17/88/25/436178825.db2.gz LWAITSZIDQKNLL-UHFFFAOYSA-N 0 3 318.461 3.126 20 30 DGEDHN C=CCN(CCC(=O)c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000661759198 436179010 /nfs/dbraw/zinc/17/90/10/436179010.db2.gz DFTNNVRDJFZTRQ-UHFFFAOYSA-N 0 3 303.402 3.317 20 30 DGEDHN C=CCOCCNCc1cc2cc(Br)ccc2o1 ZINC000657430599 436198705 /nfs/dbraw/zinc/19/87/05/436198705.db2.gz RXECDJJTHTUNHU-UHFFFAOYSA-N 0 3 310.191 3.488 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661850161 436208016 /nfs/dbraw/zinc/20/80/16/436208016.db2.gz ZBZMRRNMTJEPIU-HOTGVXAUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661850159 436209186 /nfs/dbraw/zinc/20/91/86/436209186.db2.gz ZBZMRRNMTJEPIU-CVEARBPZSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC1(NCC(=O)Nc2nnc(C(C)C)s2)CCCC1 ZINC000661852070 436209895 /nfs/dbraw/zinc/20/98/95/436209895.db2.gz JIJFMYIRFQJCLL-UHFFFAOYSA-N 0 3 308.451 3.079 20 30 DGEDHN C=CCC1(NCc2cc(-c3cnn(C)c3C)no2)CCCC1 ZINC000661852581 436211217 /nfs/dbraw/zinc/21/12/17/436211217.db2.gz ZMTWLTGDSCJGSB-UHFFFAOYSA-N 0 3 300.406 3.362 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000661879408 436219497 /nfs/dbraw/zinc/21/94/97/436219497.db2.gz VVICEUYXCVHGTE-IEBWSBKVSA-N 0 3 301.405 3.458 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000661879415 436220277 /nfs/dbraw/zinc/22/02/77/436220277.db2.gz VVICEUYXCVHGTE-PKOBYXMFSA-N 0 3 301.405 3.458 20 30 DGEDHN C=CCCn1cc(CNC[C@H]2[C@H](c3ccccc3)C2(C)C)nn1 ZINC000657488879 436226096 /nfs/dbraw/zinc/22/60/96/436226096.db2.gz VYQYBMVANJSIFY-ROUUACIJSA-N 0 3 310.445 3.384 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)nn1 ZINC000653633908 436229721 /nfs/dbraw/zinc/22/97/21/436229721.db2.gz CUSBDVVAGQPQEU-MJGOQNOKSA-N 0 3 310.445 3.355 20 30 DGEDHN C=CCC1(NCc2ccc(Br)cn2)CCOCC1 ZINC000657633241 436264841 /nfs/dbraw/zinc/26/48/41/436264841.db2.gz KRECVIZXTBSLEI-UHFFFAOYSA-N 0 3 311.223 3.059 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(Cc1ccccc1)C1CC1 ZINC000662078155 436266306 /nfs/dbraw/zinc/26/63/06/436266306.db2.gz BTZCCONCVOHTCJ-KDURUIRLSA-N 0 3 310.441 3.361 20 30 DGEDHN CCC(C)(C)N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000653810976 436269862 /nfs/dbraw/zinc/26/98/62/436269862.db2.gz XEMJBTQNUXOZIL-UHFFFAOYSA-N 0 3 304.865 3.498 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1(c2ccccc2)CCC1 ZINC000662084347 436270949 /nfs/dbraw/zinc/27/09/49/436270949.db2.gz QPGJYRNSNBZRIO-HDICACEKSA-N 0 3 310.441 3.365 20 30 DGEDHN C=CCCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000658115814 436380632 /nfs/dbraw/zinc/38/06/32/436380632.db2.gz WLPCSYZGJDMPTB-SJORKVTESA-N 0 3 307.459 3.246 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000654317941 436393097 /nfs/dbraw/zinc/39/30/97/436393097.db2.gz KUFDKSZZIRKREJ-GBESFXJTSA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCCC(C)(C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000663421316 436457280 /nfs/dbraw/zinc/45/72/80/436457280.db2.gz ZEUWGBXQXHQUOS-MRXNPFEDSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659038002 436461028 /nfs/dbraw/zinc/46/10/28/436461028.db2.gz LGAOQYNPJRKUSV-PBHICJAKSA-N 0 3 317.433 3.214 20 30 DGEDHN Cn1ncc(C2CC2)c1C(=O)C(C#N)c1nccc2ccccc21 ZINC000659114729 436462218 /nfs/dbraw/zinc/46/22/18/436462218.db2.gz GGWBWAHTKONKRK-OAHLLOKOSA-N 0 3 316.364 3.336 20 30 DGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(C#N)cc1F ZINC000343827303 312844080 /nfs/dbraw/zinc/84/40/80/312844080.db2.gz AKJLPXONOGPBQG-WQFMGJDKSA-N 0 3 300.377 3.306 20 30 DGEDHN C[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000542488472 314079179 /nfs/dbraw/zinc/07/91/79/314079179.db2.gz SEAAWNSSUBKCMT-KBXCAEBGSA-N 0 3 312.388 3.342 20 30 DGEDHN C[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000542488477 314079220 /nfs/dbraw/zinc/07/92/20/314079220.db2.gz SEAAWNSSUBKCMT-KDOFPFPSSA-N 0 3 312.388 3.342 20 30 DGEDHN CC(C)n1cc([C@@H](C)NCCCOc2cccc(C#N)c2)cn1 ZINC000544469540 314194805 /nfs/dbraw/zinc/19/48/05/314194805.db2.gz PJHPNYBZPPDPLW-OAHLLOKOSA-N 0 3 312.417 3.455 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000544898351 314217076 /nfs/dbraw/zinc/21/70/76/314217076.db2.gz QEGIHZAXGZMHSD-AEFFLSMTSA-N 0 3 324.424 3.266 20 30 DGEDHN CCCC[C@H](CC)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000546933774 314337626 /nfs/dbraw/zinc/33/76/26/314337626.db2.gz AOBMBWTXOCCEKW-INIZCTEOSA-N 0 3 300.450 3.292 20 30 DGEDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(C#N)c(F)c1 ZINC000548054447 314415650 /nfs/dbraw/zinc/41/56/50/314415650.db2.gz ADMYMOYMGQSQEC-LBPRGKRZSA-N 0 3 313.332 3.499 20 30 DGEDHN COC[C@H](NCc1cc(C#N)ccc1Br)C(C)C ZINC000562360633 315013821 /nfs/dbraw/zinc/01/38/21/315013821.db2.gz LZWVHSKUAJZDNL-AWEZNQCLSA-N 0 3 311.223 3.081 20 30 DGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000562547971 315029314 /nfs/dbraw/zinc/02/93/14/315029314.db2.gz GXVGGOZYZOAETQ-DNEZFVSUSA-N 0 3 321.424 3.029 20 30 DGEDHN N#Cc1ccnc(N2CCN(CCCC3CCCCC3)CC2)c1 ZINC000563280925 315098374 /nfs/dbraw/zinc/09/83/74/315098374.db2.gz QNQZHVBCMXLXJW-UHFFFAOYSA-N 0 3 312.461 3.436 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOC[C@@H]1CCCO1 ZINC000565280276 315249135 /nfs/dbraw/zinc/24/91/35/315249135.db2.gz GWZLKAFHRPKMQO-PKOBYXMFSA-N 0 3 314.429 3.111 20 30 DGEDHN COC(=O)CCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000575731965 316056583 /nfs/dbraw/zinc/05/65/83/316056583.db2.gz KLKSSYJTIFMUBM-UHFFFAOYSA-N 0 3 300.402 3.032 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1N1CC[C@H](N2CC=CC2)C1 ZINC000575984494 316082517 /nfs/dbraw/zinc/08/25/17/316082517.db2.gz WWGDZWBABYOQKS-AWEZNQCLSA-N 0 3 324.815 3.210 20 30 DGEDHN Cc1csc(NC(=O)NCC(C)(C)N2CCCCC2)c1C#N ZINC000576476050 316134936 /nfs/dbraw/zinc/13/49/36/316134936.db2.gz REZLRMMVEZZFCT-UHFFFAOYSA-N 0 3 320.462 3.314 20 30 DGEDHN COc1cc(CN[C@@H]2CCC(=O)Nc3ccccc32)ccc1C#N ZINC000577028249 316193680 /nfs/dbraw/zinc/19/36/80/316193680.db2.gz AQUZDUBXVUUEFB-MRXNPFEDSA-N 0 3 321.380 3.130 20 30 DGEDHN Cc1cc(SCCCN2CCN(C(C)C)CC2)ccc1C#N ZINC000577952415 316287274 /nfs/dbraw/zinc/28/72/74/316287274.db2.gz JCCOLZYDZQCFKD-UHFFFAOYSA-N 0 3 317.502 3.375 20 30 DGEDHN CC(C)[C@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CCCCC2 ZINC000577952818 316287968 /nfs/dbraw/zinc/28/79/68/316287968.db2.gz DGOSTXALBYUUCG-QGZVFWFLSA-N 0 3 323.444 3.392 20 30 DGEDHN C[C@H](NCCN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181434559 323254352 /nfs/dbraw/zinc/25/43/52/323254352.db2.gz SYVQAQRHPSBAFW-INIZCTEOSA-N 0 3 305.425 3.267 20 30 DGEDHN COc1ccc(CN(C)C[C@@H](C)c2nccs2)cc1C#N ZINC000183971490 323351737 /nfs/dbraw/zinc/35/17/37/323351737.db2.gz ZBCXJOHPUNRQRW-GFCCVEGCSA-N 0 3 301.415 3.259 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581409398 324114510 /nfs/dbraw/zinc/11/45/10/324114510.db2.gz DHKUTLZWBVOULX-DAYGRLMNSA-N 0 3 311.429 3.317 20 30 DGEDHN CCC(CC)(CC)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000581855535 324160145 /nfs/dbraw/zinc/16/01/45/324160145.db2.gz AZKSEJNAGCXBAX-UHFFFAOYSA-N 0 3 300.450 3.292 20 30 DGEDHN C[C@@H](Cc1cccc(Br)c1)NC[C@H](C#N)CCC#N ZINC000557216085 331777310 /nfs/dbraw/zinc/77/73/10/331777310.db2.gz BFROYNMBBHLOAX-JSGCOSHPSA-N 0 3 320.234 3.413 20 30 DGEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000181306826 332190641 /nfs/dbraw/zinc/19/06/41/332190641.db2.gz FLLVCRPEKBFRDL-LBPRGKRZSA-N 0 3 304.217 3.241 20 30 DGEDHN COc1ccc(CCN(CC(C)(C)C)C(=O)C(C)C#N)cc1 ZINC000531060872 332241007 /nfs/dbraw/zinc/24/10/07/332241007.db2.gz VOUFXFCUWKAXIF-AWEZNQCLSA-N 0 3 302.418 3.272 20 30 DGEDHN C#CCSCCNCc1ccc(Sc2ccccn2)o1 ZINC000292932235 335097734 /nfs/dbraw/zinc/09/77/34/335097734.db2.gz HZIONYQSQJMMIK-UHFFFAOYSA-N 0 3 304.440 3.282 20 30 DGEDHN Cc1cccc(OC[C@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000561191398 332423762 /nfs/dbraw/zinc/42/37/62/332423762.db2.gz CCUURJPWNHGNIQ-UYAOXDASSA-N 0 3 324.424 3.369 20 30 DGEDHN C=CCOCCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000293580306 335109297 /nfs/dbraw/zinc/10/92/97/335109297.db2.gz NPIJNFRLNXNEGR-IBGZPJMESA-N 0 3 319.445 3.033 20 30 DGEDHN C=CCCO[C@H](C)C(=O)Nc1cnccc1NC(CC)CC ZINC000570487126 332761587 /nfs/dbraw/zinc/76/15/87/332761587.db2.gz XSPWIQUAVDEIQZ-CYBMUJFWSA-N 0 3 305.422 3.024 20 30 DGEDHN N#C[C@H]1CCC[C@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000185729827 333212978 /nfs/dbraw/zinc/21/29/78/333212978.db2.gz UEEVPDOLYFTPDT-RDJZCZTQSA-N 0 3 313.445 3.138 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CN1CCC(CCC#N)CC1 ZINC000563068778 333280487 /nfs/dbraw/zinc/28/04/87/333280487.db2.gz PRUZFLQOTNTEMI-GOSISDBHSA-N 0 3 316.445 3.059 20 30 DGEDHN C=CC[C@H](C(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000188198570 333360178 /nfs/dbraw/zinc/36/01/78/333360178.db2.gz OUCYXODQCCRBFS-SFHVURJKSA-N 0 3 300.446 3.339 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000563397724 333600860 /nfs/dbraw/zinc/60/08/60/333600860.db2.gz LPIUDHSADFCAJQ-KRWDZBQOSA-N 0 3 321.424 3.459 20 30 DGEDHN CCCCCCCOc1cccc(CNCC2(CO)COC2)c1 ZINC000269444312 334001481 /nfs/dbraw/zinc/00/14/81/334001481.db2.gz BDBSYNKNXJXNLY-UHFFFAOYSA-N 0 3 321.461 3.134 20 30 DGEDHN N#CCSCCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000292951891 334194600 /nfs/dbraw/zinc/19/46/00/334194600.db2.gz DZYNFYCDWFBMPH-OAHLLOKOSA-N 0 3 310.850 3.440 20 30 DGEDHN C[C@H](NCCOCCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000293732170 334201485 /nfs/dbraw/zinc/20/14/85/334201485.db2.gz ZJEFJQMBJUQBOB-HNNXBMFYSA-N 0 3 311.385 3.455 20 30 DGEDHN CC[C@]1(C)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000344213031 335225614 /nfs/dbraw/zinc/22/56/14/335225614.db2.gz GTUBQGZDHUNXAD-QFBILLFUSA-N 0 3 313.445 3.444 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC(C)(C)C1CC1)C(C)C ZINC000535745787 335753939 /nfs/dbraw/zinc/75/39/39/335753939.db2.gz ZFNGUYUEAPASGP-INIZCTEOSA-N 0 3 307.482 3.173 20 30 DGEDHN N#CCC[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000583613115 335820630 /nfs/dbraw/zinc/82/06/30/335820630.db2.gz WJSIIAFSRCEAGO-GOSISDBHSA-N 0 3 320.396 3.456 20 30 DGEDHN CC[C@H](CN(CC)CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000526135094 336230116 /nfs/dbraw/zinc/23/01/16/336230116.db2.gz RNKSXHYHWUSUGX-MRXNPFEDSA-N 0 3 313.445 3.065 20 30 DGEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000352805918 336242149 /nfs/dbraw/zinc/24/21/49/336242149.db2.gz SVYCQXWNVKUQDA-FUHWJXTLSA-N 0 3 313.445 3.222 20 30 DGEDHN C=CCN1CCC(Nc2ncnc3sc(CC)cc32)CC1 ZINC000301152906 336292277 /nfs/dbraw/zinc/29/22/77/336292277.db2.gz BLGFNIBVMZFZLU-UHFFFAOYSA-N 0 3 302.447 3.316 20 30 DGEDHN C[C@H](CN1CCCCC1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000354411845 336469956 /nfs/dbraw/zinc/46/99/56/336469956.db2.gz ZPTNMSVJGPUVIO-SJLPKXTDSA-N 0 3 313.445 3.065 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(F)c(Br)c1 ZINC000321060426 337190957 /nfs/dbraw/zinc/19/09/57/337190957.db2.gz YFUFBZQBAVZGKR-NSHDSACASA-N 0 3 302.187 3.005 20 30 DGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)CCCC#N)C2)s1 ZINC000583326621 337316590 /nfs/dbraw/zinc/31/65/90/337316590.db2.gz HOEZROMQQYTHSB-OAHLLOKOSA-N 0 3 319.474 3.031 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000270661435 337641969 /nfs/dbraw/zinc/64/19/69/337641969.db2.gz VRWLYTVGHZRRMJ-UHFFFAOYSA-N 0 3 304.459 3.088 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537219075 337924941 /nfs/dbraw/zinc/92/49/41/337924941.db2.gz HWSLCKUZZPHHQE-LJQANCHMSA-N 0 3 316.420 3.375 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C(C)(C)C)c1 ZINC000516179364 338006064 /nfs/dbraw/zinc/00/60/64/338006064.db2.gz NSHOKHLGHCICOD-UHFFFAOYSA-N 0 3 301.434 3.280 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000516190016 338006302 /nfs/dbraw/zinc/00/63/02/338006302.db2.gz CORVEVHYOQVJHO-FQEVSTJZSA-N 0 3 323.440 3.486 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2cccc(F)c2)C2CCCC2)C1=O ZINC000499614126 340041068 /nfs/dbraw/zinc/04/10/68/340041068.db2.gz ZKQQZCCOQPPKSV-ROUUACIJSA-N 0 3 316.420 3.434 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](C)C2(c3ccccc3)CCCC2)C1=O ZINC000499632223 340041834 /nfs/dbraw/zinc/04/18/34/340041834.db2.gz DOJUCRHQVGHGCJ-AEFFLSMTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1F ZINC000502500293 340106141 /nfs/dbraw/zinc/10/61/41/340106141.db2.gz HYQBELMVBAKBIP-KRWDZBQOSA-N 0 3 315.388 3.254 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000505040261 340159686 /nfs/dbraw/zinc/15/96/86/340159686.db2.gz UCAKQOZOOGXECH-FUHWJXTLSA-N 0 3 313.445 3.363 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000509576885 340273917 /nfs/dbraw/zinc/27/39/17/340273917.db2.gz ILAOZGQRXZGROR-GJZGRUSLSA-N 0 3 305.422 3.092 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174831737 340396951 /nfs/dbraw/zinc/39/69/51/340396951.db2.gz QMVLKVFXCDXQGP-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2CC(C)C)CC1 ZINC000176598591 340429127 /nfs/dbraw/zinc/42/91/27/340429127.db2.gz JPMAPLJYPQDJAE-KRWDZBQOSA-N 0 3 307.482 3.247 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000195092717 340574137 /nfs/dbraw/zinc/57/41/37/340574137.db2.gz ONTDTZCGBCGPOT-UHFFFAOYSA-N 0 3 311.212 3.277 20 30 DGEDHN C=CC[C@@H](C)NCc1ccc(C(=O)OC)cc1Br ZINC000226717197 340590541 /nfs/dbraw/zinc/59/05/41/340590541.db2.gz YZTDRGVUHIJNPH-SNVBAGLBSA-N 0 3 312.207 3.290 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000541282822 340965347 /nfs/dbraw/zinc/96/53/47/340965347.db2.gz OAWBBKBLEJZRPY-ZDUSSCGKSA-N 0 3 315.335 3.119 20 30 DGEDHN C[C@@H](c1cc2ccccc2o1)N(C)CCC(=O)N(C)CCC#N ZINC000130891331 341053205 /nfs/dbraw/zinc/05/32/05/341053205.db2.gz PUKPSBTZWIRQTA-AWEZNQCLSA-N 0 3 313.401 3.188 20 30 DGEDHN N#CCc1ccc(CN2CCCN(c3ccccc3)CC2)cc1 ZINC000544069732 341069105 /nfs/dbraw/zinc/06/91/05/341069105.db2.gz NQLQZFQMWRYOBP-UHFFFAOYSA-N 0 3 305.425 3.465 20 30 DGEDHN CC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000072601502 341093194 /nfs/dbraw/zinc/09/31/94/341093194.db2.gz RJBHHTQCYHXINQ-OAHLLOKOSA-N 0 3 301.434 3.280 20 30 DGEDHN C=C(C)COCCNCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000134507855 341216541 /nfs/dbraw/zinc/21/65/41/341216541.db2.gz GBBLCQBEQHHYEF-UHFFFAOYSA-N 0 3 305.809 3.412 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000548098796 341247265 /nfs/dbraw/zinc/24/72/65/341247265.db2.gz BDCMZHBIKHOMBW-NCXUSEDFSA-N 0 3 321.424 3.326 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCCN1CC)c1ccccc1 ZINC000245620518 341305933 /nfs/dbraw/zinc/30/59/33/341305933.db2.gz DZFQBUVKRCBLTG-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2ccc(F)cc2C1 ZINC000550204139 341312514 /nfs/dbraw/zinc/31/25/14/341312514.db2.gz ZOYGSXBFXAKLSW-QGZVFWFLSA-N 0 3 322.383 3.483 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000249102594 341393975 /nfs/dbraw/zinc/39/39/75/341393975.db2.gz PWAGSBNCWUIDCA-SZVBFZGTSA-N 0 3 300.446 3.225 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(CC#N)c1 ZINC000179718308 533744900 /nfs/dbraw/zinc/74/49/00/533744900.db2.gz SDQFHHCQQYIYSC-INIZCTEOSA-N 0 3 321.424 3.003 20 30 DGEDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000321267592 533862684 /nfs/dbraw/zinc/86/26/84/533862684.db2.gz GRSQAOPASAJQMX-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN C[C@H](NCc1ccc(Cl)nc1)c1ccc(OCC#N)cc1 ZINC000177577174 533920273 /nfs/dbraw/zinc/92/02/73/533920273.db2.gz ZEKPVMDBZBGMCC-LBPRGKRZSA-N 0 3 301.777 3.488 20 30 DGEDHN COc1ccccc1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433114151 534045060 /nfs/dbraw/zinc/04/50/60/534045060.db2.gz MREFVBTWCPZSSR-GOSISDBHSA-N 0 3 322.408 3.126 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001496825848 1185254504 /nfs/dbraw/zinc/25/45/04/1185254504.db2.gz QBMJFSREVVJDKG-UHFFFAOYSA-N 0 3 301.217 3.183 20 30 DGEDHN C[C@@H](C[C@H](O)c1ccco1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127788203 534206287 /nfs/dbraw/zinc/20/62/87/534206287.db2.gz IETKIFSPNDGETI-JGWYNZBZSA-N 0 3 310.397 3.305 20 30 DGEDHN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000330781937 534281074 /nfs/dbraw/zinc/28/10/74/534281074.db2.gz YOLDONYKEKCJEZ-JTQLQIEISA-N 0 3 323.780 3.203 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1csc(C(C)C)n1 ZINC001503525738 1186046028 /nfs/dbraw/zinc/04/60/28/1186046028.db2.gz BGXXAZXVHPUYDO-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN COC(=O)C[C@H](NCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000347979243 517993116 /nfs/dbraw/zinc/99/31/16/517993116.db2.gz BVTBHZVLMXNCBO-KRWDZBQOSA-N 0 3 318.392 3.299 20 30 DGEDHN Cc1noc(C2(C)CCN([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000442903697 534384978 /nfs/dbraw/zinc/38/49/78/534384978.db2.gz TYRDECOQDJVNAA-CYBMUJFWSA-N 0 3 310.401 3.364 20 30 DGEDHN C=CCc1cc(CN(C)[C@@H](CO)CC(C)(C)C)cc(OC)c1O ZINC000449588473 534412244 /nfs/dbraw/zinc/41/22/44/534412244.db2.gz QMKRATLAIRGKPB-MRXNPFEDSA-N 0 3 321.461 3.358 20 30 DGEDHN C=CCc1cc(CN[C@@H](C)[C@@H](OC)C2CC2)cc(OC)c1O ZINC000449625009 534417356 /nfs/dbraw/zinc/41/73/56/534417356.db2.gz AMEAATBDVUFJEG-KPZWWZAWSA-N 0 3 305.418 3.032 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000489048029 534464667 /nfs/dbraw/zinc/46/46/67/534464667.db2.gz OSPDFBNBZNOUGA-GOSISDBHSA-N 0 3 323.440 3.021 20 30 DGEDHN Cc1ccc2cc(C(=O)C(C#N)c3cc(C)nc(C)n3)ccc2n1 ZINC000340187214 534465688 /nfs/dbraw/zinc/46/56/88/534465688.db2.gz WBPUYEGQOSCLTF-INIZCTEOSA-N 0 3 316.364 3.440 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1sccc1Br ZINC000449549015 534575565 /nfs/dbraw/zinc/57/55/65/534575565.db2.gz SZEFFDVPYNGWIF-MNOVXSKESA-N 0 3 302.237 3.334 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449518445 534608520 /nfs/dbraw/zinc/60/85/20/534608520.db2.gz JYDGCIDEFAEDGW-CVEARBPZSA-N 0 3 314.341 3.288 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCCOc1cc(Cl)ccc1Cl ZINC000451597504 534608566 /nfs/dbraw/zinc/60/85/66/534608566.db2.gz ITMHMCBDFUMYTE-OLZOCXBDSA-N 0 3 302.201 3.305 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000449517514 534609032 /nfs/dbraw/zinc/60/90/32/534609032.db2.gz GFXDDVFUUISPBX-QUCCMNQESA-N 0 3 319.408 3.459 20 30 DGEDHN Cc1cnc([C@H](C)NC(=O)NC[C@@H]2N(C)CCCC2(C)C)s1 ZINC000331339970 534642368 /nfs/dbraw/zinc/64/23/68/534642368.db2.gz WYVNIENGPHQXBI-STQMWFEESA-N 0 3 324.494 3.137 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472946930 534685764 /nfs/dbraw/zinc/68/57/64/534685764.db2.gz BFQJNJFWEWWBRI-FUHWJXTLSA-N 0 3 315.461 3.477 20 30 DGEDHN N#CCc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000343696576 534718158 /nfs/dbraw/zinc/71/81/58/534718158.db2.gz QZLWEQKIYLDIKU-UHFFFAOYSA-N 0 3 314.820 3.440 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915250 534800280 /nfs/dbraw/zinc/80/02/80/534800280.db2.gz TZWWRXZIWAYUSH-CABCVRRESA-N 0 3 318.244 3.118 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300527 534806342 /nfs/dbraw/zinc/80/63/42/534806342.db2.gz AQVZCAZIUMSBLC-GJZGRUSLSA-N 0 3 317.351 3.046 20 30 DGEDHN CC#CCCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000185649617 526292036 /nfs/dbraw/zinc/29/20/36/526292036.db2.gz 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ZINC000078533603 526594246 /nfs/dbraw/zinc/59/42/46/526594246.db2.gz FKPCDLICXROLTK-MRXNPFEDSA-N 0 3 315.461 3.396 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000173161407 526598513 /nfs/dbraw/zinc/59/85/13/526598513.db2.gz ILRYPDFCUFFVGM-TZIWHRDSSA-N 0 3 324.468 3.047 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000357582120 526600465 /nfs/dbraw/zinc/60/04/65/526600465.db2.gz NLLCYVPCLDVNEK-UHFFFAOYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccoc2C(F)(F)F)CC1 ZINC000290339278 526602221 /nfs/dbraw/zinc/60/22/21/526602221.db2.gz XKUWTBSIAQWDPK-UHFFFAOYSA-N 0 3 316.323 3.069 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000351148539 526624059 /nfs/dbraw/zinc/62/40/59/526624059.db2.gz SVIHXGOPJGRKDB-CABCVRRESA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)COc1cc(CN(C)[C@@H]2CCCOC2)ccc1OC ZINC000348715143 526658865 /nfs/dbraw/zinc/65/88/65/526658865.db2.gz ORYCYEPSSKLVLT-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](CO)CC2CCC2)ccc1OC ZINC000355488601 526662883 /nfs/dbraw/zinc/66/28/83/526662883.db2.gz VAPQEMYDFRBJLP-QGZVFWFLSA-N 0 3 319.445 3.291 20 30 DGEDHN C=C(C)COc1cc(CN[C@@]2(C)CCO[C@H]2C)ccc1OC ZINC000344394383 526663041 /nfs/dbraw/zinc/66/30/41/526663041.db2.gz LAWGVGGQTSVAPU-KSSFIOAISA-N 0 3 305.418 3.307 20 30 DGEDHN C#CCCCCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000180037335 526687489 /nfs/dbraw/zinc/68/74/89/526687489.db2.gz KJNTWPGDKOSCOA-INIZCTEOSA-N 0 3 300.446 3.426 20 30 DGEDHN C=CCOCCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000348065418 526752843 /nfs/dbraw/zinc/75/28/43/526752843.db2.gz ZFIWMKDQPGXLPW-MRXNPFEDSA-N 0 3 305.393 3.313 20 30 DGEDHN C=CCOCCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000348065417 526753824 /nfs/dbraw/zinc/75/38/24/526753824.db2.gz ZFIWMKDQPGXLPW-INIZCTEOSA-N 0 3 305.393 3.313 20 30 DGEDHN C=CCOCCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000338905154 526772513 /nfs/dbraw/zinc/77/25/13/526772513.db2.gz NHIBDCMYNHIGCF-UHFFFAOYSA-N 0 3 310.441 3.160 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000435740196 526801516 /nfs/dbraw/zinc/80/15/16/526801516.db2.gz CNLSMWXXYQQGTG-GLJUWKHASA-N 0 3 317.429 3.089 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)cccc1N1CCCC1 ZINC000435748138 526802256 /nfs/dbraw/zinc/80/22/56/526802256.db2.gz CTYPMEISNSWLRL-KXBFYZLASA-N 0 3 318.436 3.497 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000345731854 526802886 /nfs/dbraw/zinc/80/28/86/526802886.db2.gz AKYZFBTUNTWZEK-CVEARBPZSA-N 0 3 313.401 3.247 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000357828764 526845875 /nfs/dbraw/zinc/84/58/75/526845875.db2.gz CEHNTWZXUBKUNP-HZPDHXFCSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000343066684 526847800 /nfs/dbraw/zinc/84/78/00/526847800.db2.gz HTAWEAIPVIJQTF-CVEARBPZSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(CC)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000358506131 526850623 /nfs/dbraw/zinc/85/06/23/526850623.db2.gz IHIPMVHMLUTQKR-UHFFFAOYSA-N 0 3 307.825 3.352 20 30 DGEDHN C=CCOc1ccc(CN(C)CCN(C)C2CC2)cc1Cl ZINC000349359193 526861602 /nfs/dbraw/zinc/86/16/02/526861602.db2.gz ZEWWUPNBFCPSCL-UHFFFAOYSA-N 0 3 308.853 3.431 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1Cl ZINC000346344312 526873247 /nfs/dbraw/zinc/87/32/47/526873247.db2.gz WHNCQFWMYHTVMB-LZWOXQAQSA-N 0 3 307.821 3.108 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000339468089 526887709 /nfs/dbraw/zinc/88/77/09/526887709.db2.gz KUUPPSIYDZDRGV-ZDUSSCGKSA-N 0 3 314.385 3.211 20 30 DGEDHN C=C1CCN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000342187647 526903740 /nfs/dbraw/zinc/90/37/40/526903740.db2.gz WGURFTLSFAUDEO-PBHICJAKSA-N 0 3 309.837 3.431 20 30 DGEDHN C=CC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000338995599 526982056 /nfs/dbraw/zinc/98/20/56/526982056.db2.gz MWNCZYYUYOVMFX-RDTXWAMCSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000348165543 526983140 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DGEDHN C=CCc1cc(CN2CCC(CCCO)CC2)cc(OC)c1O ZINC000341539677 527237253 /nfs/dbraw/zinc/23/72/53/527237253.db2.gz XNXANITUNUTPLZ-UHFFFAOYSA-N 0 3 319.445 3.114 20 30 DGEDHN C=CCc1cc(CN[C@@H](CO)CCC(C)(C)C)cc(OC)c1O ZINC000355730641 527244070 /nfs/dbraw/zinc/24/40/70/527244070.db2.gz MWMMUTTYKLEROA-MRXNPFEDSA-N 0 3 321.461 3.406 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC(C)=C[C@H](C)C1 ZINC000430289255 527261253 /nfs/dbraw/zinc/26/12/53/527261253.db2.gz MAEKSMOEQSPBEK-YJBOKZPZSA-N 0 3 301.430 3.053 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC(C)=C[C@H](C)C1 ZINC000430289253 527261700 /nfs/dbraw/zinc/26/17/00/527261700.db2.gz MAEKSMOEQSPBEK-MAUKXSAKSA-N 0 3 301.430 3.053 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344713398 527332348 /nfs/dbraw/zinc/33/23/48/527332348.db2.gz DEUCETFCXPQEHD-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357852627 527400233 /nfs/dbraw/zinc/40/02/33/527400233.db2.gz BJOQPPAOSNPCMT-JZXOWHBKSA-N 0 3 318.461 3.084 20 30 DGEDHN C=CCC[C@@H](NCC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000428325113 527446077 /nfs/dbraw/zinc/44/60/77/527446077.db2.gz MGSQJDXMEIUVRT-CYBMUJFWSA-N 0 3 300.324 3.048 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000180039399 527446381 /nfs/dbraw/zinc/44/63/81/527446381.db2.gz KWJQRSCMSMBZFK-IEBWSBKVSA-N 0 3 313.445 3.338 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444717810 527460591 /nfs/dbraw/zinc/46/05/91/527460591.db2.gz NJRSRPXLXKDNNG-STQMWFEESA-N 0 3 306.372 3.342 20 30 DGEDHN C=CCC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000180037100 527482828 /nfs/dbraw/zinc/48/28/28/527482828.db2.gz LAPUSRYGKGHBRA-HKUYNNGSSA-N 0 3 311.429 3.092 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@H](OCc2ccccc2F)C1 ZINC000348231894 527491572 /nfs/dbraw/zinc/49/15/72/527491572.db2.gz IEZDMOAWAORUAL-IRXDYDNUSA-N 0 3 307.409 3.134 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000130239157 527491668 /nfs/dbraw/zinc/49/16/68/527491668.db2.gz PIUDZZHSZYGKTO-RDJZCZTQSA-N 0 3 305.393 3.048 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000357575114 527540281 /nfs/dbraw/zinc/54/02/81/527540281.db2.gz WRBRWXYNVCNKRX-KRWDZBQOSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1sc(C)nc1C(F)(F)F ZINC000340211099 527574471 /nfs/dbraw/zinc/57/44/71/527574471.db2.gz ZNAYCZYPVKGKKV-UHFFFAOYSA-N 0 3 321.412 3.410 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(OC)cc1)C(C)C ZINC000357135325 527616460 /nfs/dbraw/zinc/61/64/60/527616460.db2.gz GTJKJVKBLGDTEJ-LJQANCHMSA-N 0 3 316.445 3.183 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](c2ccccc2)C1 ZINC000433060017 527634469 /nfs/dbraw/zinc/63/44/69/527634469.db2.gz FRIUHAHVUDOJMZ-HKUYNNGSSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2CCC[C@@H]21)C(C)C ZINC000429943479 527648945 /nfs/dbraw/zinc/64/89/45/527648945.db2.gz NQVAWENKKHDLHC-FGTMMUONSA-N 0 3 319.493 3.269 20 30 DGEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000444748652 527779614 /nfs/dbraw/zinc/77/96/14/527779614.db2.gz QZQBPRFJGVAKRV-CVEARBPZSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCCO1 ZINC000342258474 527837962 /nfs/dbraw/zinc/83/79/62/527837962.db2.gz RIEBWORSJPPMSA-ZWKOTPCHSA-N 0 3 314.429 3.032 20 30 DGEDHN CCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000343623964 528006182 /nfs/dbraw/zinc/00/61/82/528006182.db2.gz MIGBBPXFTXIWAQ-HNNXBMFYSA-N 0 3 317.433 3.062 20 30 DGEDHN CCCN(Cc1ccccc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356136438 528145062 /nfs/dbraw/zinc/14/50/62/528145062.db2.gz XRIWCYGWHQUFCW-APWZRJJASA-N 0 3 315.461 3.342 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)OCO3)n1 ZINC000177771066 528239799 /nfs/dbraw/zinc/23/97/99/528239799.db2.gz VBEKICXOOGMSBT-NSHDSACASA-N 0 3 314.366 3.485 20 30 DGEDHN CC1CCN(c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cn2)CC1 ZINC000185782877 528266929 /nfs/dbraw/zinc/26/69/29/528266929.db2.gz MBNCNBKIYLJJFO-FUHWJXTLSA-N 0 3 312.461 3.490 20 30 DGEDHN CCN(CCNCc1ccc(C#N)c(C)c1)CCC(F)(F)F ZINC000443997853 528509700 /nfs/dbraw/zinc/50/97/00/528509700.db2.gz SFAHJLBXSLTFKQ-UHFFFAOYSA-N 0 3 313.367 3.231 20 30 DGEDHN CC(C)n1cnnc1[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000158978169 528646609 /nfs/dbraw/zinc/64/66/09/528646609.db2.gz IWITWPDXUCHBOT-HNNXBMFYSA-N 0 3 303.454 3.368 20 30 DGEDHN CCCCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347044315 528689549 /nfs/dbraw/zinc/68/95/49/528689549.db2.gz XRZXQPWYTLTBSF-OLZOCXBDSA-N 0 3 304.390 3.211 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCS1 ZINC000433381718 528733339 /nfs/dbraw/zinc/73/33/39/528733339.db2.gz AVCFOSRZAFFPHM-IRXDYDNUSA-N 0 3 316.470 3.359 20 30 DGEDHN CCOCCOCc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442714396 528811389 /nfs/dbraw/zinc/81/13/89/528811389.db2.gz LHMJGOINALYDHT-QAPCUYQASA-N 0 3 302.418 3.022 20 30 DGEDHN CCCn1nc(C)c(C(=O)NCCN2CCCC(C)(C)C2)c1C ZINC000330971037 528868962 /nfs/dbraw/zinc/86/89/62/528868962.db2.gz MOXMYVVOQUJVOR-UHFFFAOYSA-N 0 3 320.481 3.337 20 30 DGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CC(C)(C)C#N ZINC000356120334 528989416 /nfs/dbraw/zinc/98/94/16/528989416.db2.gz KJPOUSKBHHHPSN-KRWDZBQOSA-N 0 3 315.461 3.199 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000355978134 529010237 /nfs/dbraw/zinc/01/02/37/529010237.db2.gz CCKDQFSXEMGQCY-ROUUACIJSA-N 0 3 313.445 3.065 20 30 DGEDHN CCC1(CC)CCCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346491683 529044522 /nfs/dbraw/zinc/04/45/22/529044522.db2.gz HJRTVJZCPREZPS-OAHLLOKOSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(C)NC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185882062 529137816 /nfs/dbraw/zinc/13/78/16/529137816.db2.gz IWQBTRCWHDFERB-NVXWUHKLSA-N 0 3 314.433 3.388 20 30 DGEDHN CC1(C)C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C(C)(C)O1 ZINC000331195112 529138630 /nfs/dbraw/zinc/13/86/30/529138630.db2.gz NCYICAAEVABPRE-JKSUJKDBSA-N 0 3 314.429 3.221 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000122233975 529154056 /nfs/dbraw/zinc/15/40/56/529154056.db2.gz ZSDCNUDADIPLNO-XJKSGUPXSA-N 0 3 321.852 3.389 20 30 DGEDHN CCSCC[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433358958 529187790 /nfs/dbraw/zinc/18/77/90/529187790.db2.gz APLIMOIETACQOI-ZBFHGGJFSA-N 0 3 304.459 3.407 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000413403157 529286644 /nfs/dbraw/zinc/28/66/44/529286644.db2.gz NCZDPLATLCTHRA-HOTGVXAUSA-N 0 3 301.434 3.005 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451502004 536646150 /nfs/dbraw/zinc/64/61/50/536646150.db2.gz PEIDGOGNSJXNQO-SJORKVTESA-N 0 3 302.418 3.249 20 30 DGEDHN CCO[C@@H](C)c1ncc(C(=O)NC2CCN(C3CC3)CC2)s1 ZINC000329602971 546488858 /nfs/dbraw/zinc/48/88/58/546488858.db2.gz GBMYCHVYZBHLEP-NSHDSACASA-N 0 3 323.462 3.172 20 30 DGEDHN Cc1nc2c(cccc2C(=O)NCCN2CCCC[C@H]2C)o1 ZINC000329949786 546493797 /nfs/dbraw/zinc/49/37/97/546493797.db2.gz MBKHICKFLWONEB-GFCCVEGCSA-N 0 3 301.390 3.315 20 30 DGEDHN CC(C)c1ccc(CN(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594425900 547032014 /nfs/dbraw/zinc/03/20/14/547032014.db2.gz MOORDGWOXSQNEP-KRWDZBQOSA-N 0 3 301.434 3.180 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1Cl ZINC000668706058 547514568 /nfs/dbraw/zinc/51/45/68/547514568.db2.gz PMWAGRJUMXINIJ-HUUCEWRRSA-N 0 3 307.821 3.373 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc(C)c1)C(C)C ZINC000671722409 547816829 /nfs/dbraw/zinc/81/68/29/547816829.db2.gz HUNWAFZJXJQCLI-INIZCTEOSA-N 0 3 306.475 3.485 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000672577809 547892089 /nfs/dbraw/zinc/89/20/89/547892089.db2.gz UDLRYRXEWFHHTG-SFHVURJKSA-N 0 3 302.393 3.423 20 30 DGEDHN C=C(CN[C@@H](C)CC(=O)N1CCCCCC1)c1ccccc1 ZINC000675782860 548271378 /nfs/dbraw/zinc/27/13/78/548271378.db2.gz ZYUPZINQPPKLAN-KRWDZBQOSA-N 0 3 300.446 3.471 20 30 DGEDHN COCC#CCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000678761793 548758355 /nfs/dbraw/zinc/75/83/55/548758355.db2.gz HWFTZROCFMLQIA-LJQANCHMSA-N 0 3 315.363 3.488 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000679174669 548842254 /nfs/dbraw/zinc/84/22/54/548842254.db2.gz CYCKKSIZWMVNQP-NVXWUHKLSA-N 0 3 308.429 3.453 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000679937646 548966874 /nfs/dbraw/zinc/96/68/74/548966874.db2.gz GMJBLUGBIYUVFC-RTBURBONSA-N 0 3 302.462 3.130 20 30 DGEDHN C=CC[C@H]1N(C(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1(C)C ZINC000683564685 549506338 /nfs/dbraw/zinc/50/63/38/549506338.db2.gz KUDAZENFQAZYSP-DLBZAZTESA-N 0 3 319.493 3.247 20 30 DGEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000683688671 549518602 /nfs/dbraw/zinc/51/86/02/549518602.db2.gz FHACBFATPYMCFN-CYBMUJFWSA-N 0 3 320.352 3.235 20 30 DGEDHN C=CCCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000684115661 549581702 /nfs/dbraw/zinc/58/17/02/549581702.db2.gz QJFRXEKGKWNWDA-GOSISDBHSA-N 0 3 315.461 3.164 20 30 DGEDHN C=CCCCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000684141399 549584169 /nfs/dbraw/zinc/58/41/69/549584169.db2.gz DAILZKBQIQHTTE-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(F)c(F)c1 ZINC000684194257 549590734 /nfs/dbraw/zinc/59/07/34/549590734.db2.gz DQLNWPQVWMREMO-SJCJKPOMSA-N 0 3 318.371 3.110 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc(-c2ccccc2)nc1 ZINC000684767713 549689942 /nfs/dbraw/zinc/68/99/42/549689942.db2.gz QCDFMOZQRRVKDT-ROUUACIJSA-N 0 3 309.413 3.214 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncccc1C(F)(F)F ZINC000684767201 549690228 /nfs/dbraw/zinc/69/02/28/549690228.db2.gz CWQANFXVSWWDBR-SMDDNHRTSA-N 0 3 300.324 3.171 20 30 DGEDHN CC(C)OCCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421628 574529300 /nfs/dbraw/zinc/52/93/00/574529300.db2.gz MXLMNGBKWQBYHL-LLVKDONJSA-N 0 3 306.362 3.427 20 30 DGEDHN C#CCOc1ccccc1CNCCc1ccc(C)c(OC)c1 ZINC000741254840 574533814 /nfs/dbraw/zinc/53/38/14/574533814.db2.gz IFTFTNVEDVWRCT-UHFFFAOYSA-N 0 3 309.409 3.348 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000741465100 574549690 /nfs/dbraw/zinc/54/96/90/574549690.db2.gz SXVISEFNMOXEKG-RRNXIHKHSA-N 0 3 303.450 3.140 20 30 DGEDHN C#CCCOc1ccc(CNCCN2CCc3ccccc32)cc1 ZINC000733325717 574615998 /nfs/dbraw/zinc/61/59/98/574615998.db2.gz QTRIMYBVPNYZHN-UHFFFAOYSA-N 0 3 320.436 3.241 20 30 DGEDHN C#CCOc1ccc(CNC2(c3ccc(OC)cc3)CC2)cc1 ZINC000733328050 574616237 /nfs/dbraw/zinc/61/62/37/574616237.db2.gz LCROMOCWAIQYDC-UHFFFAOYSA-N 0 3 307.393 3.486 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000733326142 574616379 /nfs/dbraw/zinc/61/63/79/574616379.db2.gz KZDRIURRZRDYBH-OAHLLOKOSA-N 0 3 307.393 3.484 20 30 DGEDHN C=CCNC(=S)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000737458121 574845190 /nfs/dbraw/zinc/84/51/90/574845190.db2.gz LKPKRFKQEATGSX-NVXWUHKLSA-N 0 3 317.502 3.032 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C/c2cc(C)c(C)cc2C)CC1 ZINC000740735900 574940861 /nfs/dbraw/zinc/94/08/61/574940861.db2.gz UFUJPQSMAZEUPR-BQYQJAHWSA-N 0 3 324.468 3.229 20 30 DGEDHN Cc1ccc([C@H](O)CNCc2cccc(OCCCC#N)c2)o1 ZINC000741261656 574954469 /nfs/dbraw/zinc/95/44/69/574954469.db2.gz QGUDAUZDZWOQHX-QGZVFWFLSA-N 0 3 314.385 3.094 20 30 DGEDHN CCc1cccc(C)c1NC(=S)NN=C1CCN(C)[C@H](C)C1 ZINC000741458653 574958281 /nfs/dbraw/zinc/95/82/81/574958281.db2.gz PIORTVJCHJUQQC-CYBMUJFWSA-N 0 3 318.490 3.314 20 30 DGEDHN C[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CC[N@@H+]1C ZINC000741465375 574958601 /nfs/dbraw/zinc/95/86/01/574958601.db2.gz VBDQLOPVAYKJAA-OAOOSLTHSA-N 0 3 311.223 3.056 20 30 DGEDHN C[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CC[N@H+]1C ZINC000741465375 574958602 /nfs/dbraw/zinc/95/86/02/574958602.db2.gz VBDQLOPVAYKJAA-OAOOSLTHSA-N 0 3 311.223 3.056 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000741689465 574966789 /nfs/dbraw/zinc/96/67/89/574966789.db2.gz PMUUUMLOAANGLG-GOSISDBHSA-N 0 3 324.509 3.450 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000741784841 574970603 /nfs/dbraw/zinc/97/06/03/574970603.db2.gz VWJGTMOLBHTCAK-MRXNPFEDSA-N 0 3 306.450 3.121 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1)[C@@H](O)c1c(F)cccc1F ZINC000742716391 575014513 /nfs/dbraw/zinc/01/45/13/575014513.db2.gz YJZVWGLADSKLBX-FUHWJXTLSA-N 0 3 316.351 3.438 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](c1ccc(C)cc1)N(C)C ZINC000742731466 575015771 /nfs/dbraw/zinc/01/57/71/575015771.db2.gz YGDIUBPGHSHLFS-FQEVSTJZSA-N 0 3 322.452 3.400 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cccc3c(C)c(C)[nH]c32)CC1 ZINC000743492847 575054370 /nfs/dbraw/zinc/05/43/70/575054370.db2.gz AMFVFHUEWMJQHJ-UHFFFAOYSA-N 0 3 323.440 3.002 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000743491057 575054379 /nfs/dbraw/zinc/05/43/79/575054379.db2.gz YKGPDCIUTWNKIM-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000743493093 575054478 /nfs/dbraw/zinc/05/44/78/575054478.db2.gz HFXFBEHDFONNFV-LJQANCHMSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCN(C[C@H](O)c1ccc(OC)cc1)[C@@H](C)Cc1ccccc1 ZINC000743863594 575066138 /nfs/dbraw/zinc/06/61/38/575066138.db2.gz USTJGDBEQLXWQJ-UWJYYQICSA-N 0 3 323.436 3.295 20 30 DGEDHN CCN(CCOc1ccc(C#N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743865798 575066738 /nfs/dbraw/zinc/06/67/38/575066738.db2.gz CWDLXEMGVAKYOJ-HXUWFJFHSA-N 0 3 324.424 3.301 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000743870236 575067151 /nfs/dbraw/zinc/06/71/51/575067151.db2.gz MPILKPMOEQFURN-MRXNPFEDSA-N 0 3 316.445 3.193 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000743870236 575067154 /nfs/dbraw/zinc/06/71/54/575067154.db2.gz MPILKPMOEQFURN-MRXNPFEDSA-N 0 3 316.445 3.193 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C ZINC000744033938 575069467 /nfs/dbraw/zinc/06/94/67/575069467.db2.gz YYZYGLJJVNJWAE-UKVQZPPCSA-N 0 3 314.385 3.335 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000740900054 575232310 /nfs/dbraw/zinc/23/23/10/575232310.db2.gz KCDRIGPCZYWCBL-XJKSGUPXSA-N 0 3 316.426 3.252 20 30 DGEDHN C=CCN1CCC(NC(=S)NC[C@@H](CC)CCCC)CC1 ZINC000729942498 575267506 /nfs/dbraw/zinc/26/75/06/575267506.db2.gz GYPKXIYJTBKEBB-HNNXBMFYSA-N 0 3 311.539 3.317 20 30 DGEDHN CC#CCOC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000744993836 575368316 /nfs/dbraw/zinc/36/83/16/575368316.db2.gz NRAZNRMCOXMQQZ-INIZCTEOSA-N 0 3 315.413 3.120 20 30 DGEDHN COc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1C#N ZINC000746740707 575472836 /nfs/dbraw/zinc/47/28/36/575472836.db2.gz HCSVQOOOXXOBJA-UHFFFAOYSA-N 0 3 324.409 3.308 20 30 DGEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000747100907 575496399 /nfs/dbraw/zinc/49/63/99/575496399.db2.gz XZLZZZWUAJKHGQ-VQIMIIECSA-N 0 3 324.424 3.325 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)C#Cc2ccccc2)N(C)C)cc1 ZINC000747199732 575505520 /nfs/dbraw/zinc/50/55/20/575505520.db2.gz BKIWKOBSVIIRQV-HXUWFJFHSA-N 0 3 320.436 3.020 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)C[C@@H]2C)cc1C ZINC000747531211 575524006 /nfs/dbraw/zinc/52/40/06/575524006.db2.gz SOZLTPNRNRKAHD-YOEHRIQHSA-N 0 3 313.445 3.280 20 30 DGEDHN N#Cc1csc(CNC[C@H](O)c2c(F)cccc2Cl)c1 ZINC000748099468 575560950 /nfs/dbraw/zinc/56/09/50/575560950.db2.gz MYTNAGMMEDLPCH-ZDUSSCGKSA-N 0 3 310.781 3.235 20 30 DGEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@H](O)c1c(F)cccc1F ZINC000748099524 575561900 /nfs/dbraw/zinc/56/19/00/575561900.db2.gz VCVJNUBZNSTWSU-ZBFHGGJFSA-N 0 3 322.380 3.500 20 30 DGEDHN COc1cccc(O)c1/C=N\CCN(C)Cc1ccc(F)cc1 ZINC000749008536 575620561 /nfs/dbraw/zinc/62/05/61/575620561.db2.gz WYLZLQMILPHHJN-NDENLUEZSA-N 0 3 316.376 3.091 20 30 DGEDHN CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCC1 ZINC000738315086 576048488 /nfs/dbraw/zinc/04/84/88/576048488.db2.gz SZRWILGXOLWKET-OAHLLOKOSA-N 0 3 320.396 3.098 20 30 DGEDHN C=C(C)CNC(=S)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000727283924 576117221 /nfs/dbraw/zinc/11/72/21/576117221.db2.gz UGLXYXRRDLKISS-UHFFFAOYSA-N 0 3 305.491 3.021 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](C)N(C)c1ccccc1 ZINC000727643950 576135823 /nfs/dbraw/zinc/13/58/23/576135823.db2.gz RJKDJXGMGNVRBZ-KRWDZBQOSA-N 0 3 308.425 3.313 20 30 DGEDHN C#CCOc1ccccc1CNCCc1ccc(OC)c(F)c1 ZINC000728300969 576174345 /nfs/dbraw/zinc/17/43/45/576174345.db2.gz GIFROLUWGZKMJL-UHFFFAOYSA-N 0 3 313.372 3.179 20 30 DGEDHN C[C@H](COCC(F)(F)F)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000728711500 576197052 /nfs/dbraw/zinc/19/70/52/576197052.db2.gz BERDASYKDHNIJI-NEPJUHHUSA-N 0 3 316.323 3.034 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCCOc2ccc(F)cc2)cc1 ZINC000728711517 576197332 /nfs/dbraw/zinc/19/73/32/576197332.db2.gz BROBETFSLOQHIM-CQSZACIVSA-N 0 3 314.360 3.285 20 30 DGEDHN C#CCN(C(=O)N[C@@H]1CCCC[C@H]1CCC)C1CCN(C)CC1 ZINC000916615557 620639512 /nfs/dbraw/zinc/63/95/12/620639512.db2.gz YWXVRCLXGVWTTF-SJLPKXTDSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(OCc2cccnc2)cc1 ZINC000852751520 620646135 /nfs/dbraw/zinc/64/61/35/620646135.db2.gz GOSPMLQRSJXZJS-UHFFFAOYSA-N 0 3 324.424 3.132 20 30 DGEDHN N#CC(C(=O)CCOCC(F)(F)F)c1ccc2ccccc2n1 ZINC000916850038 620646407 /nfs/dbraw/zinc/64/64/07/620646407.db2.gz YVHDFLDBFHBINH-LBPRGKRZSA-N 0 3 322.286 3.380 20 30 DGEDHN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000916844419 620647172 /nfs/dbraw/zinc/64/71/72/620647172.db2.gz HNBHESTUDYEWBZ-SUMWQHHRSA-N 0 3 305.337 3.127 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2CCC(=C)CC2)CC1 ZINC000917097899 620656276 /nfs/dbraw/zinc/65/62/76/620656276.db2.gz MQLVJJVLCMBJBQ-UHFFFAOYSA-N 0 3 305.466 3.073 20 30 DGEDHN C[C@H](NN=Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000853293844 620684565 /nfs/dbraw/zinc/68/45/65/620684565.db2.gz UUWALBWBZAMMDM-INIZCTEOSA-N 0 3 323.440 3.332 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000918485166 620708590 /nfs/dbraw/zinc/70/85/90/620708590.db2.gz CKWCXEGDZIDKGB-CZUORRHYSA-N 0 3 318.392 3.335 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000853598493 620714600 /nfs/dbraw/zinc/71/46/00/620714600.db2.gz SESAXSAKSYVYLX-QRVBRYPASA-N 0 3 310.441 3.451 20 30 DGEDHN CCn1ccnc1[C@@H](N[C@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000926414465 618005127 /nfs/dbraw/zinc/00/51/27/618005127.db2.gz ZIGSRUXNXHBPKY-ZBFHGGJFSA-N 0 3 318.465 3.289 20 30 DGEDHN C[C@]1(c2ccccc2)C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000892494950 618081832 /nfs/dbraw/zinc/08/18/32/618081832.db2.gz KRTVWAANFAWEDB-ABSDTBQOSA-N 0 3 318.376 3.312 20 30 DGEDHN N#CC(C(=O)CCF)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000892499637 618083514 /nfs/dbraw/zinc/08/35/14/618083514.db2.gz ZRQFOCLDGZZGQO-SNVBAGLBSA-N 0 3 303.120 3.000 20 30 DGEDHN C=C1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000894750181 618445591 /nfs/dbraw/zinc/44/55/91/618445591.db2.gz GYMXTUBXLORONO-NVXWUHKLSA-N 0 3 301.434 3.039 20 30 DGEDHN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)CC(C)(C)C#N ZINC000925615032 618509273 /nfs/dbraw/zinc/50/92/73/618509273.db2.gz DKQMAUUQJVHIFB-HUUCEWRRSA-N 0 3 322.474 3.157 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000893558974 618603130 /nfs/dbraw/zinc/60/31/30/618603130.db2.gz SQUCAHGAWQKWGE-BXUZGUMPSA-N 0 3 307.825 3.174 20 30 DGEDHN CN(Cc1ccccc1)C[C@@H](OC(=O)CC(C)(C)C#N)C1CC1 ZINC000893695728 618641127 /nfs/dbraw/zinc/64/11/27/618641127.db2.gz ACXWHIJPJKEPQV-QGZVFWFLSA-N 0 3 314.429 3.380 20 30 DGEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1csc(C#N)c1 ZINC000894280402 618750945 /nfs/dbraw/zinc/75/09/45/618750945.db2.gz VJOKLVPCYPIWBI-GOOCMWNKSA-N 0 3 312.442 3.264 20 30 DGEDHN C#CC1(O)CCN(Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000895382260 618776376 /nfs/dbraw/zinc/77/63/76/618776376.db2.gz BBTRBCPPIVHOSS-UHFFFAOYSA-N 0 3 322.408 3.142 20 30 DGEDHN N#Cc1ccc2nc(N[C@H]3CCCN4CCSC[C@H]34)ccc2c1 ZINC000895568391 618801922 /nfs/dbraw/zinc/80/19/22/618801922.db2.gz WMLSKFHPFCUYMF-DLBZAZTESA-N 0 3 324.453 3.098 20 30 DGEDHN COc1cc(CN2CCC3(CCCCO3)CC2)ccc1C#N ZINC000895654367 618812496 /nfs/dbraw/zinc/81/24/96/618812496.db2.gz RPFFIHQLOPXNFF-UHFFFAOYSA-N 0 3 300.402 3.102 20 30 DGEDHN C=CCOc1ccc(CN2CCC(c3ccn(C)n3)CC2)cc1 ZINC000896500240 618921339 /nfs/dbraw/zinc/92/13/39/618921339.db2.gz BEESKQNLKVHDJP-UHFFFAOYSA-N 0 3 311.429 3.365 20 30 DGEDHN C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000896586240 618931121 /nfs/dbraw/zinc/93/11/21/618931121.db2.gz YDWOIFYREPJITN-MRXNPFEDSA-N 0 3 324.428 3.075 20 30 DGEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cc(F)ncc1F ZINC000896632650 618937717 /nfs/dbraw/zinc/93/77/17/618937717.db2.gz LGVGZQUMPKVCRI-UHFFFAOYSA-N 0 3 301.340 3.342 20 30 DGEDHN COC(=O)CCC[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000897630102 619169112 /nfs/dbraw/zinc/16/91/12/619169112.db2.gz RBUIZVZCDQVQDL-QWHCGFSZSA-N 0 3 321.446 3.006 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NCc1csc(C#N)c1 ZINC000898164851 619219403 /nfs/dbraw/zinc/21/94/03/619219403.db2.gz VWTUQEIQSUSWJR-KGLIPLIRSA-N 0 3 306.431 3.220 20 30 DGEDHN CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(C#N)c1[O-] ZINC000924716890 619264724 /nfs/dbraw/zinc/26/47/24/619264724.db2.gz ROYNOCTUDHGCNR-YOEHRIQHSA-N 0 3 301.434 3.036 20 30 DGEDHN C=C[C@@H](CC)CC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899490860 619346360 /nfs/dbraw/zinc/34/63/60/619346360.db2.gz SUWOGKABQMKLDY-NSHDSACASA-N 0 3 320.824 3.252 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2-c2ccncc2)CC1 ZINC000900598849 619439671 /nfs/dbraw/zinc/43/96/71/619439671.db2.gz MAIOKJHDJIATPF-UHFFFAOYSA-N 0 3 321.424 3.129 20 30 DGEDHN C[C@@H]1CC(NN=C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000901300449 619483023 /nfs/dbraw/zinc/48/30/23/619483023.db2.gz AQMDIYMDCHZNLJ-REMKUUPNSA-N 0 3 301.434 3.297 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC000901691572 619534449 /nfs/dbraw/zinc/53/44/49/619534449.db2.gz AEOBEGDEVFULKL-XIRDDKMYSA-N 0 3 308.466 3.039 20 30 DGEDHN C(=NNCCc1ccncc1)c1ccc(N2CCCCC2)cc1 ZINC000789097526 625360091 /nfs/dbraw/zinc/36/00/91/625360091.db2.gz RDHFCVAEQPRJAF-UHFFFAOYSA-N 0 3 308.429 3.238 20 30 DGEDHN CCc1ccc([C@H](CN[C@@H](C)c2cc(C#N)ccn2)N(C)C)cc1 ZINC000902720700 619665886 /nfs/dbraw/zinc/66/58/86/619665886.db2.gz MMCYALMOUVDKEY-YWZLYKJASA-N 0 3 322.456 3.469 20 30 DGEDHN CC[C@@H](NCC(=O)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000902756856 619671140 /nfs/dbraw/zinc/67/11/40/619671140.db2.gz MUIOWVNDTCLPCP-LJQANCHMSA-N 0 3 321.424 3.258 20 30 DGEDHN C[C@@H](COc1ccc(F)cc1F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902766214 619672994 /nfs/dbraw/zinc/67/29/94/619672994.db2.gz ZDCSVBDBGTZGEK-RYUDHWBXSA-N 0 3 317.339 3.350 20 30 DGEDHN C[C@H](NCCN1c2ccccc2C[C@H]1C)c1cc(C#N)ccn1 ZINC000902776501 619673977 /nfs/dbraw/zinc/67/39/77/619673977.db2.gz QOWQQTRERBBOMO-CABCVRRESA-N 0 3 306.413 3.055 20 30 DGEDHN COc1cccc(O[C@@H](C)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902821673 619679191 /nfs/dbraw/zinc/67/91/91/619679191.db2.gz KGOJVIMCSJQFMB-KBPBESRZSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@H](NCC1(C#N)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000903031637 619704954 /nfs/dbraw/zinc/70/49/54/619704954.db2.gz CJTKDAYVERJXTI-AWEZNQCLSA-N 0 3 321.465 3.305 20 30 DGEDHN CC[C@@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1cccc(C#N)c1 ZINC000903047553 619710211 /nfs/dbraw/zinc/71/02/11/619710211.db2.gz PRSLYNVCAGCBST-MSOLQXFVSA-N 0 3 319.408 3.187 20 30 DGEDHN CC[C@@H](NCc1ccc2oc(=O)n(C)c2c1)c1cccc(C#N)c1 ZINC000903069574 619715056 /nfs/dbraw/zinc/71/50/56/619715056.db2.gz HNERGPVWEXEVQS-MRXNPFEDSA-N 0 3 321.380 3.244 20 30 DGEDHN C=CCC[C@H](N[C@@H](C)C(=O)NCCF)c1cccc(Cl)c1 ZINC000903168579 619732673 /nfs/dbraw/zinc/73/26/73/619732673.db2.gz XZQFLTOPBBXTKT-WFASDCNBSA-N 0 3 312.816 3.411 20 30 DGEDHN C=CCC[C@@H](N[C@H](C)C(=O)NCCF)c1cccc(Cl)c1 ZINC000903168577 619732872 /nfs/dbraw/zinc/73/28/72/619732872.db2.gz XZQFLTOPBBXTKT-IUODEOHRSA-N 0 3 312.816 3.411 20 30 DGEDHN CC[C@](O)(CCC(F)(F)F)CN[C@H](C)c1cc(C#N)ccn1 ZINC000903256808 619745810 /nfs/dbraw/zinc/74/58/10/619745810.db2.gz QKLSAYCQXGQARV-RISCZKNCSA-N 0 3 315.339 3.087 20 30 DGEDHN C[C@H](NC[C@@](C)(O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000903312012 619757892 /nfs/dbraw/zinc/75/78/92/619757892.db2.gz XFJGTKNZNWTOHH-KPZWWZAWSA-N 0 3 316.351 3.395 20 30 DGEDHN C[C@H](NCCOC1CCSCC1)c1ccc(C#N)c(F)c1 ZINC000903444177 619777914 /nfs/dbraw/zinc/77/79/14/619777914.db2.gz NUAIUDPBLZCWTI-LBPRGKRZSA-N 0 3 308.422 3.260 20 30 DGEDHN C=CC[C@@H](NC[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccncc1 ZINC000905121085 619973045 /nfs/dbraw/zinc/97/30/45/619973045.db2.gz KHQDQLIBAQJKBN-VXGBXAGGSA-N 0 3 324.293 3.237 20 30 DGEDHN CCCCCCCCCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC000912113684 620366089 /nfs/dbraw/zinc/36/60/89/620366089.db2.gz QLNSXRRVBHERJB-CQSZACIVSA-N 0 3 306.454 3.157 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000912189248 620373706 /nfs/dbraw/zinc/37/37/06/620373706.db2.gz RUVIZFROOHOKQX-LLVKDONJSA-N 0 3 316.323 3.250 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000912373198 620383474 /nfs/dbraw/zinc/38/34/74/620383474.db2.gz JUUPNRZCPFOQRU-BXUZGUMPSA-N 0 3 312.360 3.149 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000912372065 620383504 /nfs/dbraw/zinc/38/35/04/620383504.db2.gz CMCRWURPPVLUHX-BXUZGUMPSA-N 0 3 312.360 3.149 20 30 DGEDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCCCC#N ZINC000913097825 620423862 /nfs/dbraw/zinc/42/38/62/620423862.db2.gz SGVRNBYAMAOQPE-FUHWJXTLSA-N 0 3 313.445 3.097 20 30 DGEDHN CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000913666164 620469456 /nfs/dbraw/zinc/46/94/56/620469456.db2.gz UQAVFAMXJDQIOO-GOEBONIOSA-N 0 3 310.401 3.055 20 30 DGEDHN C#CCSCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000152921806 620529000 /nfs/dbraw/zinc/52/90/00/620529000.db2.gz VLGKXELLSJPDHT-UHFFFAOYSA-N 0 3 316.382 3.311 20 30 DGEDHN CCCCCCCCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000914879180 620559248 /nfs/dbraw/zinc/55/92/48/620559248.db2.gz AXSNUNGDWUZSFC-SFHVURJKSA-N 0 3 324.509 3.450 20 30 DGEDHN C#CCN(C(=O)N[C@@H](CC)C1CCCCC1)C1CCN(C)CC1 ZINC000915929270 620607695 /nfs/dbraw/zinc/60/76/95/620607695.db2.gz IDHLLBGMGHJPEX-SFHVURJKSA-N 0 3 319.493 3.084 20 30 DGEDHN C=C(C)CNC(=S)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000921273166 620847061 /nfs/dbraw/zinc/84/70/61/620847061.db2.gz FOIORHXVZREYDB-KRWDZBQOSA-N 0 3 317.502 3.081 20 30 DGEDHN CC(C)(C)OC(=O)NCC(C)(C)NCc1csc(C#N)c1 ZINC000921674086 620931127 /nfs/dbraw/zinc/93/11/27/620931127.db2.gz WQHCCTNRGVGUNW-UHFFFAOYSA-N 0 3 309.435 3.013 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)C=CCCC3)CC1 ZINC000855858738 620943589 /nfs/dbraw/zinc/94/35/89/620943589.db2.gz LMBIDRKJHHFMLY-UHFFFAOYSA-N 0 3 308.425 3.320 20 30 DGEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC000888400485 620954285 /nfs/dbraw/zinc/95/42/85/620954285.db2.gz ZQXSVHGRLXECBL-UKRRQHHQSA-N 0 3 316.401 3.044 20 30 DGEDHN C[C@H](NCc1csc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000922143213 620995134 /nfs/dbraw/zinc/99/51/34/620995134.db2.gz HLXFIUOHCVPBRU-ZUZCIYMTSA-N 0 3 304.440 3.473 20 30 DGEDHN C#CCC1([NH2+]Cc2cc(Br)c([O-])c(OC)c2)CCC1 ZINC000923001862 621145951 /nfs/dbraw/zinc/14/59/51/621145951.db2.gz XAPPTXYFYFAFDE-UHFFFAOYSA-N 0 3 324.218 3.199 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)nc1 ZINC000858036724 621147841 /nfs/dbraw/zinc/14/78/41/621147841.db2.gz GZRUCWDQKXVZLU-MAUKXSAKSA-N 0 3 307.397 3.476 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1ccc(CSC(F)F)o1 ZINC000858334348 621177059 /nfs/dbraw/zinc/17/70/59/621177059.db2.gz UGCBUWUDQMKICA-NSHDSACASA-N 0 3 303.374 3.253 20 30 DGEDHN C#CC[C@H](COC)NCc1cnc(-c2ccccc2F)s1 ZINC000858334932 621177479 /nfs/dbraw/zinc/17/74/79/621177479.db2.gz UGANHLFGMOXVTL-GFCCVEGCSA-N 0 3 304.390 3.077 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1NC[C@@H]1CCN1C1CCCC1 ZINC000858781457 621220958 /nfs/dbraw/zinc/22/09/58/621220958.db2.gz QZAYRCVIVCHHEY-ZDUSSCGKSA-N 0 3 324.350 3.401 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(cccc3CC)[nH]2)CC1 ZINC000859250963 621264695 /nfs/dbraw/zinc/26/46/95/621264695.db2.gz SALCTCOAWAYGRR-UHFFFAOYSA-N 0 3 311.429 3.111 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc3scnc32)CC1 ZINC000859250451 621264748 /nfs/dbraw/zinc/26/47/48/621264748.db2.gz KIPCJWWBRJIKHH-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000838787304 621280486 /nfs/dbraw/zinc/28/04/86/621280486.db2.gz IHBOEPWQHFBVBU-GXFFZTMASA-N 0 3 324.327 3.024 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCC#N ZINC000859479715 621282312 /nfs/dbraw/zinc/28/23/12/621282312.db2.gz PFVZCVPCUJHWJN-HNNXBMFYSA-N 0 3 309.454 3.258 20 30 DGEDHN CCC(C)(C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000838963975 621307470 /nfs/dbraw/zinc/30/74/70/621307470.db2.gz ACPUGRPIALTUTF-NSHDSACASA-N 0 3 314.307 3.482 20 30 DGEDHN C[C@@H]1C[C@H](OC(=O)CC(C)(C)C#N)CN(Cc2ccccc2)C1 ZINC000839091647 621327977 /nfs/dbraw/zinc/32/79/77/621327977.db2.gz RCMLWKOBLDRMIF-WBVHZDCISA-N 0 3 314.429 3.380 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000788134697 621339176 /nfs/dbraw/zinc/33/91/76/621339176.db2.gz JQDCOPDGMAWMNU-LJQANCHMSA-N 0 3 324.468 3.351 20 30 DGEDHN C#CCC1(C(=O)NC[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC000788136613 621346554 /nfs/dbraw/zinc/34/65/54/621346554.db2.gz OXKNMCITPQMAOP-GOSISDBHSA-N 0 3 312.457 3.379 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccc(Cl)cn3)CC2)C1 ZINC000839203491 621351615 /nfs/dbraw/zinc/35/16/15/621351615.db2.gz ZGZRNTQATMUJJX-TZMCWYRMSA-N 0 3 305.809 3.270 20 30 DGEDHN Cc1ccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1C#N ZINC000860101700 621366045 /nfs/dbraw/zinc/36/60/45/621366045.db2.gz ZZDQZJVJNUQJPP-CQSZACIVSA-N 0 3 317.433 3.212 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@@H](OC)C2(C)C)c([O-])c1 ZINC000753139884 621427621 /nfs/dbraw/zinc/42/76/21/621427621.db2.gz XLKXDHGZDKZAHI-JQXMUZPYSA-N 0 3 304.434 3.471 20 30 DGEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C(C)C ZINC000860780039 621442235 /nfs/dbraw/zinc/44/22/35/621442235.db2.gz QRFADSLIBIDVTK-BXUZGUMPSA-N 0 3 314.307 3.338 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000860779442 621442416 /nfs/dbraw/zinc/44/24/16/621442416.db2.gz BKFHFRSOIBPJGT-DGCLKSJQSA-N 0 3 314.307 3.482 20 30 DGEDHN C[C@H]1CC(N=Nc2ncnc3c4ccccc4oc32)CN1C1CC1 ZINC000753956393 621474359 /nfs/dbraw/zinc/47/43/59/621474359.db2.gz SKFKZEFMBITOMV-NSHDSACASA-N 0 3 321.384 3.401 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCOC[C@@H](C)C1 ZINC000753993021 621477030 /nfs/dbraw/zinc/47/70/30/621477030.db2.gz MZVIFVNDYHZMPH-AWEZNQCLSA-N 0 3 317.458 3.240 20 30 DGEDHN COCC[C@@H](NCCCOc1ccc(C#N)cc1)c1ccco1 ZINC000754447882 621511043 /nfs/dbraw/zinc/51/10/43/621511043.db2.gz LPUDPRSNZQSNIW-QGZVFWFLSA-N 0 3 314.385 3.288 20 30 DGEDHN CCN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCN(C)CC1 ZINC000861892839 621543270 /nfs/dbraw/zinc/54/32/70/621543270.db2.gz UECFMJRUOHLPIB-QGZVFWFLSA-N 0 3 313.445 3.017 20 30 DGEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc(Br)s1 ZINC000862363165 621578797 /nfs/dbraw/zinc/57/87/97/621578797.db2.gz LBFZZOCNHBGPDN-SNVBAGLBSA-N 0 3 324.247 3.402 20 30 DGEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc(Br)s1 ZINC000862363164 621578948 /nfs/dbraw/zinc/57/89/48/621578948.db2.gz LBFZZOCNHBGPDN-JTQLQIEISA-N 0 3 324.247 3.402 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2cc(OC)ccc2Br)C1 ZINC000862445620 621590981 /nfs/dbraw/zinc/59/09/81/621590981.db2.gz YFVMUNKITWEYDI-GFCCVEGCSA-N 0 3 308.219 3.303 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCCCC1 ZINC000863031335 621634128 /nfs/dbraw/zinc/63/41/28/621634128.db2.gz FSYDHQBTCXQFGU-KRWDZBQOSA-N 0 3 302.462 3.093 20 30 DGEDHN CC(N=Nc1nc2ccccc2[n-]c1=S)C1CC[NH+](C)CC1 ZINC000863124816 621641033 /nfs/dbraw/zinc/64/10/33/621641033.db2.gz DZUWIWOPEGWDOD-UHFFFAOYSA-N 0 3 315.446 3.422 20 30 DGEDHN Cc1cc(NN=C(C[C@H]2CCCO2)c2ccc(F)cc2)ccn1 ZINC000863159091 621643296 /nfs/dbraw/zinc/64/32/96/621643296.db2.gz CFPRUTKWIHLEKP-QGZVFWFLSA-N 0 3 313.376 3.336 20 30 DGEDHN COc1cc(OC)c(C(C)=NNc2ccnc(C)c2)cc1Cl ZINC000863158636 621643313 /nfs/dbraw/zinc/64/33/13/621643313.db2.gz JWARCDBYNBAMCA-UHFFFAOYSA-N 0 3 319.792 3.319 20 30 DGEDHN CC(C)(C)[C@H](NCn1cccc(C#N)c1=O)c1ccc(F)cc1 ZINC000758187726 621764250 /nfs/dbraw/zinc/76/42/50/621764250.db2.gz BPYQEHUDNNMSJE-MRXNPFEDSA-N 0 3 313.376 3.194 20 30 DGEDHN CC[C@@H](c1ccccc1)[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758202119 621766004 /nfs/dbraw/zinc/76/60/04/621766004.db2.gz GICZWCGZUPOFSO-RBUKOAKNSA-N 0 3 321.424 3.336 20 30 DGEDHN Cc1ccn(CN[C@@H](c2ccccc2)C(C)(C)C)c(=O)c1C#N ZINC000758206540 621766645 /nfs/dbraw/zinc/76/66/45/621766645.db2.gz OWPSJHWAWHEUBM-KRWDZBQOSA-N 0 3 309.413 3.363 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000759655586 621880077 /nfs/dbraw/zinc/88/00/77/621880077.db2.gz OYOWEWWEHGMWEP-IAGOWNOFSA-N 0 3 301.434 3.038 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNC[C@@]1(C)CC1(Cl)Cl ZINC000865587557 621957170 /nfs/dbraw/zinc/95/71/70/621957170.db2.gz PHRMVBCOTFSWLI-CQSZACIVSA-N 0 3 312.244 3.298 20 30 DGEDHN CC(C)n1ccnc1CNC1CCN(c2ccccc2C#N)CC1 ZINC000865696292 621979616 /nfs/dbraw/zinc/97/96/16/621979616.db2.gz YJTPOZRQHDFWCI-UHFFFAOYSA-N 0 3 323.444 3.094 20 30 DGEDHN CCO[C@H](CC(=O)C(C#N)C(=O)Nc1cccc(C)c1)C(C)C ZINC000761037524 621980976 /nfs/dbraw/zinc/98/09/76/621980976.db2.gz HWWHVIWSHGEWTF-NVXWUHKLSA-N 0 3 316.401 3.094 20 30 DGEDHN CCO[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(C)C ZINC000761065888 621983856 /nfs/dbraw/zinc/98/38/56/621983856.db2.gz WFPQSNJDKYVVSR-MLGOLLRUSA-N 0 3 300.358 3.455 20 30 DGEDHN C=CCCn1cc(CNC[C@@H]2CC=CC[C@H]2C(F)(F)F)nn1 ZINC000865782221 621994524 /nfs/dbraw/zinc/99/45/24/621994524.db2.gz ZTGONDANMJYLDY-GXTWGEPZSA-N 0 3 314.355 3.089 20 30 DGEDHN C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cccc(C#N)c1[O-] ZINC000866218334 622068424 /nfs/dbraw/zinc/06/84/24/622068424.db2.gz NEQHABAFCXLSBG-LSDHHAIUSA-N 0 3 301.434 3.179 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000762795159 622099029 /nfs/dbraw/zinc/09/90/29/622099029.db2.gz QPFPQHQTNPMKSH-OAHLLOKOSA-N 0 3 300.450 3.003 20 30 DGEDHN C=CCC[C@@H](NC[C@H]1CC2(CO1)CCOCC2)c1ccco1 ZINC000866533156 622133504 /nfs/dbraw/zinc/13/35/04/622133504.db2.gz OOGIWDPJVCRWTC-HZPDHXFCSA-N 0 3 305.418 3.462 20 30 DGEDHN C[C@@H]1c2ccc(F)cc2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763412391 622144198 /nfs/dbraw/zinc/14/41/98/622144198.db2.gz XUEBYAADUUUYJL-BFUOFWGJSA-N 0 3 310.372 3.350 20 30 DGEDHN C=CCC1(C(=O)N2c3ccccc3[C@@H](N)C2(C)C)CCOCC1 ZINC000867987170 622200764 /nfs/dbraw/zinc/20/07/64/622200764.db2.gz HXLBEOXYMXHPFW-MRXNPFEDSA-N 0 3 314.429 3.185 20 30 DGEDHN C[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C#N ZINC000805901635 625553203 /nfs/dbraw/zinc/55/32/03/625553203.db2.gz SHRCHGLGJXDZDG-CQSZACIVSA-N 0 3 300.402 3.377 20 30 DGEDHN C#CCN1CCC(C(=O)NC2CCC(CC)(CC)CC2)CC1 ZINC000789695311 625555262 /nfs/dbraw/zinc/55/52/62/625555262.db2.gz MWBDOUFIPUKMRG-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(OC)cn2)c([O-])c1 ZINC000766283342 622317134 /nfs/dbraw/zinc/31/71/34/622317134.db2.gz JMYAOGQKQXOQGC-ODLFYWEKSA-N 0 3 313.401 3.261 20 30 DGEDHN COC[C@@H]1CCCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000767950419 622430057 /nfs/dbraw/zinc/43/00/57/622430057.db2.gz UYMBDUZJRBLLLG-CQSZACIVSA-N 0 3 322.836 3.491 20 30 DGEDHN CCOCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000870135708 622436414 /nfs/dbraw/zinc/43/64/14/622436414.db2.gz DFXLSLWXNNXLTA-INIZCTEOSA-N 0 3 316.401 3.239 20 30 DGEDHN C#CCOc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1 ZINC000769022413 622493148 /nfs/dbraw/zinc/49/31/48/622493148.db2.gz LPRWLPYGWAKFKJ-OAQYLSRUSA-N 0 3 321.420 3.444 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCC[C@H]2CCOC2=O)c([O-])c1 ZINC000871597286 622644794 /nfs/dbraw/zinc/64/47/94/622644794.db2.gz NIQZSYBIADTEMZ-ITRAFESCSA-N 0 3 318.417 3.001 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000770673115 622659537 /nfs/dbraw/zinc/65/95/37/622659537.db2.gz GCIQRQQGYWLILH-HXUWFJFHSA-N 0 3 320.392 3.220 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645178 622922613 /nfs/dbraw/zinc/92/26/13/622922613.db2.gz WMJSHDSFMVFFDO-DXTPNHAXSA-N 0 3 312.760 3.032 20 30 DGEDHN Cc1nc(C#N)cc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000882044521 625618441 /nfs/dbraw/zinc/61/84/41/625618441.db2.gz MNLUJLFKUIWYDQ-HNNXBMFYSA-N 0 3 315.808 3.025 20 30 DGEDHN C[C@@H](NCc1ccc2c(c1)ncn2C)c1ccc(OCC#N)cc1 ZINC000774811357 623194693 /nfs/dbraw/zinc/19/46/93/623194693.db2.gz NMMBXNVWPFTPPB-CQSZACIVSA-N 0 3 320.396 3.326 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000775400162 623268624 /nfs/dbraw/zinc/26/86/24/623268624.db2.gz XDNKWOKGFARLAM-IAGOWNOFSA-N 0 3 301.336 3.352 20 30 DGEDHN C=CCN1CCC(NC(=O)c2sccc2C(F)F)CC1 ZINC000874436332 623270213 /nfs/dbraw/zinc/27/02/13/623270213.db2.gz BIZWJOIMYDEDIL-UHFFFAOYSA-N 0 3 300.374 3.066 20 30 DGEDHN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776165274 623387131 /nfs/dbraw/zinc/38/71/31/623387131.db2.gz ZPYOTYZCSGBJDJ-FZKQIMNGSA-N 0 3 322.412 3.416 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(OC(F)(F)F)cc1 ZINC000776184975 623391420 /nfs/dbraw/zinc/39/14/20/623391420.db2.gz CFABFYXGGFZKPR-UHFFFAOYSA-N 0 3 324.306 3.492 20 30 DGEDHN C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C#N)c(F)c1 ZINC000776725816 623456029 /nfs/dbraw/zinc/45/60/29/623456029.db2.gz GIVIXXBRGDUNMU-NSHDSACASA-N 0 3 312.348 3.039 20 30 DGEDHN C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000776739760 623458258 /nfs/dbraw/zinc/45/82/58/623458258.db2.gz TVRMIBDTBQPDHN-ZDUSSCGKSA-N 0 3 311.360 3.377 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1ccccc1CC#N ZINC000777409566 623521693 /nfs/dbraw/zinc/52/16/93/623521693.db2.gz ILIITWGHZHCVMN-UHFFFAOYSA-N 0 3 321.424 3.304 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@H](CCC)CCO ZINC000778172366 623619348 /nfs/dbraw/zinc/61/93/48/623619348.db2.gz IINZCVXBQSWJTO-CQSZACIVSA-N 0 3 309.837 3.240 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(O)[C@H](C)CC ZINC000778170077 623619722 /nfs/dbraw/zinc/61/97/22/623619722.db2.gz JPQFGWSWPBRODE-CXAGYDPISA-N 0 3 309.837 3.239 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@H](C2CC2)C1 ZINC000778177071 623620585 /nfs/dbraw/zinc/62/05/85/623620585.db2.gz NRNWIDZHAKHSJK-KBXCAEBGSA-N 0 3 319.832 3.399 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC[C@H]1OC ZINC000778178089 623621473 /nfs/dbraw/zinc/62/14/73/623621473.db2.gz IVIMFLFJDYLQFL-XJKSGUPXSA-N 0 3 307.821 3.257 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000876552689 623641579 /nfs/dbraw/zinc/64/15/79/623641579.db2.gz AHHJBVAETKFTMP-CJNGLKHVSA-N 0 3 306.837 3.284 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000876550252 623641652 /nfs/dbraw/zinc/64/16/52/623641652.db2.gz UWDRPVDVBNDUPR-SNVBAGLBSA-N 0 3 303.189 3.065 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Br)cc1C ZINC000876554535 623642919 /nfs/dbraw/zinc/64/29/19/623642919.db2.gz CHFAGZAXROLHRN-SNVBAGLBSA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1OC1CCCC1 ZINC000876584944 623651264 /nfs/dbraw/zinc/65/12/64/623651264.db2.gz UAUJHEQACDKRJB-HNNXBMFYSA-N 0 3 322.836 3.094 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000876590732 623653111 /nfs/dbraw/zinc/65/31/11/623653111.db2.gz ASJAGFAOJMXBRU-UONOGXRCSA-N 0 3 313.228 3.473 20 30 DGEDHN CCN(Cc1cnc2c(cnn2C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000876599221 623656445 /nfs/dbraw/zinc/65/64/45/623656445.db2.gz XFBDEBBRDOGFLZ-CQSZACIVSA-N 0 3 319.412 3.423 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000876611748 623659318 /nfs/dbraw/zinc/65/93/18/623659318.db2.gz QHXPDFJYHNWGEG-HOTGVXAUSA-N 0 3 306.837 3.437 20 30 DGEDHN COc1ccc(NC(=O)[C@H]2CCCN2C[C@@H](C)CCC#N)cc1 ZINC000876615844 623660027 /nfs/dbraw/zinc/66/00/27/623660027.db2.gz MOQWZDGKWKTHQH-WMLDXEAASA-N 0 3 315.417 3.038 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(NC(=O)CCC)c1C ZINC000876615804 623660049 /nfs/dbraw/zinc/66/00/49/623660049.db2.gz LRFDNSNNCMODMX-GFCCVEGCSA-N 0 3 323.824 3.142 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000876639942 623666951 /nfs/dbraw/zinc/66/69/51/623666951.db2.gz XXCVHFMCXNMSKL-MRXNPFEDSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1ccccc1OC ZINC000876647881 623669520 /nfs/dbraw/zinc/66/95/20/623669520.db2.gz KJPSNSMHUJETSZ-CABCVRRESA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000876671313 623676854 /nfs/dbraw/zinc/67/68/54/623676854.db2.gz AAMAURDVIYZYAQ-LBPRGKRZSA-N 0 3 301.217 3.161 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000876686245 623681821 /nfs/dbraw/zinc/68/18/21/623681821.db2.gz SUJACHIANHFHKU-JKSUJKDBSA-N 0 3 308.853 3.244 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@@H](CC)Cc1ccccc1 ZINC000876688112 623682137 /nfs/dbraw/zinc/68/21/37/623682137.db2.gz QDVXJOLOUDRIGT-HOTGVXAUSA-N 0 3 308.853 3.326 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000876712356 623687707 /nfs/dbraw/zinc/68/77/07/623687707.db2.gz PGGSKHDJLABRSN-INIZCTEOSA-N 0 3 321.852 3.331 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1sc(CC)nc1C ZINC000876771379 623702936 /nfs/dbraw/zinc/70/29/36/623702936.db2.gz QVCPBVUQQIYCIB-GHMZBOCLSA-N 0 3 315.870 3.003 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000876907623 623742143 /nfs/dbraw/zinc/74/21/43/623742143.db2.gz UMUIONGBNDYXCR-HOCLYGCPSA-N 0 3 320.864 3.473 20 30 DGEDHN COCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000126259055 623755526 /nfs/dbraw/zinc/75/55/26/623755526.db2.gz SKIGVPIDQDXICL-INIZCTEOSA-N 0 3 324.380 3.304 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2ccccc2n1C(C)C ZINC000876969835 623757330 /nfs/dbraw/zinc/75/73/30/623757330.db2.gz BLAVNQBNNXXMOE-NSHDSACASA-N 0 3 306.797 3.026 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCOc3ccccc32)c1 ZINC000877024507 623769022 /nfs/dbraw/zinc/76/90/22/623769022.db2.gz GCWIDLSBCGYWPV-CYBMUJFWSA-N 0 3 313.788 3.263 20 30 DGEDHN CC(C)(C)c1ccc([C@H](O)CNCc2cccc(C#N)n2)cc1 ZINC000877039118 623772816 /nfs/dbraw/zinc/77/28/16/623772816.db2.gz HQEAXXDCWNMOGQ-GOSISDBHSA-N 0 3 309.413 3.074 20 30 DGEDHN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCC#N)C1 ZINC000877065792 623781529 /nfs/dbraw/zinc/78/15/29/623781529.db2.gz WILYMRGDEDVILS-JKSUJKDBSA-N 0 3 313.445 3.259 20 30 DGEDHN Cc1ccc(N(CC2CC2)C(=O)[C@@H](N)CCCCC#N)cc1F ZINC000877088475 623789205 /nfs/dbraw/zinc/78/92/05/623789205.db2.gz DOEOGKFEGPTREW-KRWDZBQOSA-N 0 3 317.408 3.288 20 30 DGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2cc(C#N)cnc2Cl)C1 ZINC000877149746 623808632 /nfs/dbraw/zinc/80/86/32/623808632.db2.gz RYGGWHKIKCVDAB-PXAZEXFGSA-N 0 3 321.852 3.274 20 30 DGEDHN C[C@H](CN(C)Cc1cc(C#N)ccc1N(C)C)c1nccs1 ZINC000877316153 623850048 /nfs/dbraw/zinc/85/00/48/623850048.db2.gz LZMKIFBRTAHPQN-CYBMUJFWSA-N 0 3 314.458 3.316 20 30 DGEDHN COCC1(CNCc2cc(C#N)cnc2Cl)CCCCC1 ZINC000877540928 623934263 /nfs/dbraw/zinc/93/42/63/623934263.db2.gz BSDJVHCNMXGBNF-UHFFFAOYSA-N 0 3 307.825 3.293 20 30 DGEDHN Cc1scc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1C ZINC000877609056 623961380 /nfs/dbraw/zinc/96/13/80/623961380.db2.gz DUXUSVATUIBZRX-QGZVFWFLSA-N 0 3 300.427 3.402 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000780634727 623961752 /nfs/dbraw/zinc/96/17/52/623961752.db2.gz RFEXQBBILAURGG-PKOBYXMFSA-N 0 3 312.457 3.349 20 30 DGEDHN COC(=O)/C=C\c1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000877703874 623998840 /nfs/dbraw/zinc/99/88/40/623998840.db2.gz AZXWFKKACAMBIA-HJWRWDBZSA-N 0 3 324.380 3.012 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877916945 624091626 /nfs/dbraw/zinc/09/16/26/624091626.db2.gz MNCPHZUDBKZMDN-SFHVURJKSA-N 0 3 301.430 3.403 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000877917049 624092186 /nfs/dbraw/zinc/09/21/86/624092186.db2.gz NPKGTTSYFGGZKX-GOSISDBHSA-N 0 3 301.430 3.260 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccnc(N(C)C)c1 ZINC000782176664 624214399 /nfs/dbraw/zinc/21/43/99/624214399.db2.gz XORFSYFBTKYTQG-UHFFFAOYSA-N 0 3 308.429 3.431 20 30 DGEDHN N#CCC[C@H](NC[C@@H](O)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000878375298 624260683 /nfs/dbraw/zinc/26/06/83/624260683.db2.gz DBDJJJXQBXAARX-SLFFLAALSA-N 0 3 324.424 3.106 20 30 DGEDHN Cc1cccnc1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000878648763 624330219 /nfs/dbraw/zinc/33/02/19/624330219.db2.gz QXXHJCHLZRRPFN-KRWDZBQOSA-N 0 3 322.412 3.353 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]12CCN(CC1(CC#N)CC1)C2 ZINC000878715214 624346843 /nfs/dbraw/zinc/34/68/43/624346843.db2.gz ILHIFSFMILWYQI-GOSISDBHSA-N 0 3 319.449 3.156 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3cc2F)CC1 ZINC000878751484 624354090 /nfs/dbraw/zinc/35/40/90/624354090.db2.gz ZBKBOVYSGRCDPH-UHFFFAOYSA-N 0 3 312.388 3.359 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](c1ccccc1)C1CCCCC1 ZINC000783532633 624362877 /nfs/dbraw/zinc/36/28/77/624362877.db2.gz SQSGJXWNPCOZTJ-GOSISDBHSA-N 0 3 321.486 3.498 20 30 DGEDHN CCN(C)c1ccc(C(C)=NNCCC(=O)OC(C)(C)C)cc1 ZINC000783864072 624401925 /nfs/dbraw/zinc/40/19/25/624401925.db2.gz RJYOGWIXQOFMID-UHFFFAOYSA-N 0 3 319.449 3.188 20 30 DGEDHN COc1cccc([C@@H]2CN(Cc3ccc(C#N)cc3C)CCN2)c1 ZINC000879524451 624577961 /nfs/dbraw/zinc/57/79/61/624577961.db2.gz KRDFTVLFAVWYNY-FQEVSTJZSA-N 0 3 321.424 3.022 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879666722 624631990 /nfs/dbraw/zinc/63/19/90/624631990.db2.gz FXWNOBLUSTYOJG-BFHYXJOUSA-N 0 3 318.383 3.286 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667536 624633475 /nfs/dbraw/zinc/63/34/75/624633475.db2.gz MCCIMIHDIUNWAV-BFHYXJOUSA-N 0 3 316.367 3.062 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000785453889 624668357 /nfs/dbraw/zinc/66/83/57/624668357.db2.gz OKOFOXDPXMGXAY-LJQANCHMSA-N 0 3 315.461 3.369 20 30 DGEDHN COc1ccc(CNCc2ccc3cnccc3c2)cc1C#N ZINC000785495132 624677130 /nfs/dbraw/zinc/67/71/30/624677130.db2.gz FKTPMGABZWVAAL-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000879909818 624719531 /nfs/dbraw/zinc/71/95/31/624719531.db2.gz VAARXEGRFAHDME-MRXNPFEDSA-N 0 3 304.434 3.016 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2nc(C)cs2)C1 ZINC000880008298 624750828 /nfs/dbraw/zinc/75/08/28/624750828.db2.gz BQAQJQDQFSZXOF-HNNXBMFYSA-N 0 3 313.426 3.321 20 30 DGEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000880464023 624962136 /nfs/dbraw/zinc/96/21/36/624962136.db2.gz ODDQUTGUEOSYTH-SFHVURJKSA-N 0 3 310.397 3.122 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073864 624976453 /nfs/dbraw/zinc/97/64/53/624976453.db2.gz NXMXAGNLRJEJIE-OFQRWUPVSA-N 0 3 300.402 3.036 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000787074285 624976779 /nfs/dbraw/zinc/97/67/79/624976779.db2.gz QLKDSVPKGPNILC-CVEARBPZSA-N 0 3 312.413 3.180 20 30 DGEDHN CCN(Cc1ccccc1)c1ccc(C=NN[C@@H]2CCOC2)cc1 ZINC000788455588 625179782 /nfs/dbraw/zinc/17/97/82/625179782.db2.gz GTPGZBBOAIQYRE-LJQANCHMSA-N 0 3 323.440 3.426 20 30 DGEDHN CC(C)c1c[nH]c(CNC2CCN(c3ccccc3C#N)CC2)n1 ZINC000883193696 625965405 /nfs/dbraw/zinc/96/54/05/625965405.db2.gz CCCJOGYEWQJHCY-UHFFFAOYSA-N 0 3 323.444 3.163 20 30 DGEDHN C[C@H](C#N)OCCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000796135420 626025412 /nfs/dbraw/zinc/02/54/12/626025412.db2.gz KSJLVRACSPQBCN-DYVFJYSZSA-N 0 3 308.372 3.477 20 30 DGEDHN CCn1nc(C)c(CC(=O)C(C#N)c2nc3ccccc3o2)c1C ZINC000796774541 626080919 /nfs/dbraw/zinc/08/09/19/626080919.db2.gz IPDXFOIDQQYIIM-CQSZACIVSA-N 0 3 322.368 3.080 20 30 DGEDHN N#CC(C(=O)Cc1coc2ccccc12)C(=O)NC1CCCCC1 ZINC000796788260 626083413 /nfs/dbraw/zinc/08/34/13/626083413.db2.gz IVACNMCIZZEZJB-MRXNPFEDSA-N 0 3 324.380 3.133 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cc1C#N ZINC000799600902 626312073 /nfs/dbraw/zinc/31/20/73/626312073.db2.gz UADGJPDGWKMFKB-OAHLLOKOSA-N 0 3 314.348 3.243 20 30 DGEDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1C#N ZINC000799728595 626324991 /nfs/dbraw/zinc/32/49/91/626324991.db2.gz CMLHLMNWIWHUBI-UHFFFAOYSA-N 0 3 309.413 3.265 20 30 DGEDHN N#Cc1ccc(N2CCN([C@@H]3CCCc4ccccc43)CC2)cn1 ZINC000801554705 626409612 /nfs/dbraw/zinc/40/96/12/626409612.db2.gz OJNODQSIOZMVTI-HXUWFJFHSA-N 0 3 318.424 3.153 20 30 DGEDHN O=C(OCC#Cc1ccccc1Cl)C1CCN(C2CC2)CC1 ZINC000801870710 626423447 /nfs/dbraw/zinc/42/34/47/626423447.db2.gz DDSLXGCWWCQVQZ-UHFFFAOYSA-N 0 3 317.816 3.109 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000801910995 626424982 /nfs/dbraw/zinc/42/49/82/626424982.db2.gz ZZZVJUMYHREJLK-ZFWWWQNUSA-N 0 3 308.809 3.112 20 30 DGEDHN Cc1ccc(C)c(OC2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801914895 626425472 /nfs/dbraw/zinc/42/54/72/626425472.db2.gz GLSPYRUABPUOSP-INIZCTEOSA-N 0 3 302.418 3.075 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000801936274 626426607 /nfs/dbraw/zinc/42/66/07/626426607.db2.gz MEXFZFHRXXYEAZ-ZDUSSCGKSA-N 0 3 308.809 3.112 20 30 DGEDHN C[C@@H](C#N)OCCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000801937753 626427011 /nfs/dbraw/zinc/42/70/11/626427011.db2.gz VRPDEWBXEDWVOL-LPHOPBHVSA-N 0 3 310.397 3.325 20 30 DGEDHN COc1ccc2oc([C@@H](C)NCCO[C@H](C)C#N)c(C)c2c1 ZINC000801940831 626427245 /nfs/dbraw/zinc/42/72/45/626427245.db2.gz FWHNEEPNBZJSHM-DGCLKSJQSA-N 0 3 302.374 3.329 20 30 DGEDHN Cc1cc(Br)ccc1CN(C)CCO[C@H](C)C#N ZINC000801951387 626427609 /nfs/dbraw/zinc/42/76/09/626427609.db2.gz UUFCKUKIJBESQP-GFCCVEGCSA-N 0 3 311.223 3.118 20 30 DGEDHN C#CCOc1ccccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000802658164 626565728 /nfs/dbraw/zinc/56/57/28/626565728.db2.gz MKFDLPPYFQLCBF-UHFFFAOYSA-N 0 3 324.380 3.281 20 30 DGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000802796883 626573645 /nfs/dbraw/zinc/57/36/45/626573645.db2.gz KXLSQJVIDFAIKL-SWLSCSKDSA-N 0 3 320.820 3.491 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCc3ccsc3[C@H]2C)CC1 ZINC000883343128 626654429 /nfs/dbraw/zinc/65/44/29/626654429.db2.gz ALUBAVOEBYLQEZ-CYBMUJFWSA-N 0 3 319.474 3.027 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)CC(F)F)CC1 ZINC000883341897 626654825 /nfs/dbraw/zinc/65/48/25/626654825.db2.gz CZWAFLMBLODQPH-UHFFFAOYSA-N 0 3 317.424 3.008 20 30 DGEDHN CC[C@@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(C#N)cc1 ZINC000883361733 626661627 /nfs/dbraw/zinc/66/16/27/626661627.db2.gz KAOJTRDQBMQUQL-VXGBXAGGSA-N 0 3 322.277 3.157 20 30 DGEDHN O[C@@H](CNCc1ccc(C(F)F)cc1)C(F)(F)C(F)(F)F ZINC000883368150 626663855 /nfs/dbraw/zinc/66/38/55/626663855.db2.gz IQWHOSZKLZKMHX-VIFPVBQESA-N 0 3 319.220 3.272 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(Br)c(F)c1F ZINC000883399067 626673247 /nfs/dbraw/zinc/67/32/47/626673247.db2.gz CKDFHZUEVZFKAS-SNVBAGLBSA-N 0 3 320.177 3.144 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000804452521 626681157 /nfs/dbraw/zinc/68/11/57/626681157.db2.gz HMTJOJAJUPYEGE-MJGOQNOKSA-N 0 3 312.457 3.002 20 30 DGEDHN CC(C)(C)c1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884045059 626809944 /nfs/dbraw/zinc/80/99/44/626809944.db2.gz GGAKMEJSUOIMMZ-BTUGKURYSA-N 0 3 311.429 3.062 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1COc2ccccc2[C@H]1O ZINC000808729510 626855144 /nfs/dbraw/zinc/85/51/44/626855144.db2.gz LBIFQDXXMMZYII-CMKODMSKSA-N 0 3 320.392 3.020 20 30 DGEDHN C#Cc1ccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000809577208 626921821 /nfs/dbraw/zinc/92/18/21/626921821.db2.gz MLUXJLRNJNAARV-AWEZNQCLSA-N 0 3 302.418 3.013 20 30 DGEDHN C#Cc1ccc(CNC2(C(=O)NCCCC)CCCCC2)cc1 ZINC000809643061 626931742 /nfs/dbraw/zinc/93/17/42/626931742.db2.gz MELSHIQAYNXGMA-UHFFFAOYSA-N 0 3 312.457 3.377 20 30 DGEDHN C#C[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000809683956 626935888 /nfs/dbraw/zinc/93/58/88/626935888.db2.gz STDFJUSWWOAIIU-INIZCTEOSA-N 0 3 316.408 3.105 20 30 DGEDHN C#C[C@@H](NCC1=Cc2cc(Br)ccc2OC1)C(C)C ZINC000809685548 626936206 /nfs/dbraw/zinc/93/62/06/626936206.db2.gz ZPZXTGARPPDHSE-OAHLLOKOSA-N 0 3 320.230 3.472 20 30 DGEDHN COc1cccc(C[C@@H](NCc2nc(C#N)cs2)C2CC2)c1 ZINC000810150358 626981779 /nfs/dbraw/zinc/98/17/79/626981779.db2.gz BWSKYIWHFHOXNJ-MRXNPFEDSA-N 0 3 313.426 3.134 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H]1COc2c(C)cccc2C1 ZINC000810178889 626985012 /nfs/dbraw/zinc/98/50/12/626985012.db2.gz YQSQEAHPLJLMNR-SFHVURJKSA-N 0 3 307.393 3.100 20 30 DGEDHN N#CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810225010 626990034 /nfs/dbraw/zinc/99/00/34/626990034.db2.gz QCHHYBMQJJDOJK-LJQANCHMSA-N 0 3 303.365 3.238 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810532961 627013049 /nfs/dbraw/zinc/01/30/49/627013049.db2.gz WYEVJFVFQQUUQY-ZFWWWQNUSA-N 0 3 316.426 3.040 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)CN3[C@H](C)CC[C@H]3C)cc21 ZINC000885574074 627027688 /nfs/dbraw/zinc/02/76/88/627027688.db2.gz XXJYFSCDBKHKNV-ZIAGYGMSSA-N 0 3 312.417 3.034 20 30 DGEDHN COc1ccccc1CN(C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885960563 627070867 /nfs/dbraw/zinc/07/08/67/627070867.db2.gz MZMXTJCXPDSBDO-KRWDZBQOSA-N 0 3 314.429 3.104 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@]12CCOC2 ZINC000885966782 627072165 /nfs/dbraw/zinc/07/21/65/627072165.db2.gz CZNZNYGXRKEAJX-NVXWUHKLSA-N 0 3 302.374 3.009 20 30 DGEDHN C=CCCCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000811014093 627078762 /nfs/dbraw/zinc/07/87/62/627078762.db2.gz PZIYZFJFXPDYEA-ZDUSSCGKSA-N 0 3 323.339 3.217 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCSC[C@H]2c2ccccc2)CCC1 ZINC000886012350 627083586 /nfs/dbraw/zinc/08/35/86/627083586.db2.gz FNMINLFJTWEWPH-SJORKVTESA-N 0 3 316.470 3.221 20 30 DGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000886129531 627109706 /nfs/dbraw/zinc/10/97/06/627109706.db2.gz IAJHEEWZYFYMRZ-CHWSQXEVSA-N 0 3 315.442 3.392 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000886355895 627141803 /nfs/dbraw/zinc/14/18/03/627141803.db2.gz PGQAEJDWPGVBCN-ZIAGYGMSSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CCC1(NCc2sccc2Br)CCOCC1 ZINC000886378832 627144782 /nfs/dbraw/zinc/14/47/82/627144782.db2.gz CQYRNTCKUPSZJG-UHFFFAOYSA-N 0 3 314.248 3.173 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C1CCN(C)CC1 ZINC000886575859 627166586 /nfs/dbraw/zinc/16/65/86/627166586.db2.gz NCYMBPKRVWKHQZ-QXAKKESOSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)C1CCCCC1)C1CCN(C)CC1 ZINC000886582027 627167341 /nfs/dbraw/zinc/16/73/41/627167341.db2.gz CSGMCAGZRRMUOE-MRXNPFEDSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCC1(O)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000886776903 627203712 /nfs/dbraw/zinc/20/37/12/627203712.db2.gz SMXZSRUCEJZFNL-AWEZNQCLSA-N 0 3 304.390 3.367 20 30 DGEDHN CC[C@@H](O)CNN=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000811656842 627300878 /nfs/dbraw/zinc/30/08/78/627300878.db2.gz XKXCGLUJEUMFKB-GOSISDBHSA-N 0 3 303.450 3.152 20 30 DGEDHN C#CCON=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000812234064 627362661 /nfs/dbraw/zinc/36/26/61/627362661.db2.gz NZMUYMBCHSIODJ-UHFFFAOYSA-N 0 3 300.402 3.055 20 30 DGEDHN COc1cccc(O)c1/C=N\[C@H]1CCN(Cc2ccccc2)C1 ZINC000812396399 627377328 /nfs/dbraw/zinc/37/73/28/627377328.db2.gz RVSRBXWVSMLQHI-DEFALTHMSA-N 0 3 310.397 3.094 20 30 DGEDHN C#C[C@@H](NC(=O)CN(C)CCCCCC)c1ccc(F)cc1 ZINC000812748389 627415935 /nfs/dbraw/zinc/41/59/35/627415935.db2.gz SFQYTKSBUJXSIL-QGZVFWFLSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000889437680 627420344 /nfs/dbraw/zinc/42/03/44/627420344.db2.gz QPPKSCDOWLNZGW-UHFFFAOYSA-N 0 3 306.475 3.385 20 30 DGEDHN C#C[C@H](NCCCNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000812793056 627421230 /nfs/dbraw/zinc/42/12/30/627421230.db2.gz MJQWDFWVAAGOGE-HNNXBMFYSA-N 0 3 306.381 3.004 20 30 DGEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000813060069 627444121 /nfs/dbraw/zinc/44/41/21/627444121.db2.gz OSGYQQRPLBTQLI-GFCCVEGCSA-N 0 3 324.167 3.335 20 30 DGEDHN CC(COC(=O)c1ccccc1-c1ccccc1C#N)[N+](=O)[O-] ZINC000813112400 627451312 /nfs/dbraw/zinc/45/13/12/627451312.db2.gz GLXKNCZWLOFPHH-GFCCVEGCSA-N 0 3 310.309 3.047 20 30 DGEDHN CCCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213891 627468276 /nfs/dbraw/zinc/46/82/76/627468276.db2.gz NGXVHOIKYIFOBM-LLVKDONJSA-N 0 3 300.280 3.093 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000814803191 627592877 /nfs/dbraw/zinc/59/28/77/627592877.db2.gz MSRNOLBVPRXPAT-HNNXBMFYSA-N 0 3 310.388 3.179 20 30 DGEDHN CCCN1CC[C@H](C[NH2+][C@H](CC)c2cccc(C#N)c2[O-])C1 ZINC000924754023 627676474 /nfs/dbraw/zinc/67/64/74/627676474.db2.gz RVAVUIRYZZUGSN-RHSMWYFYSA-N 0 3 301.434 3.036 20 30 DGEDHN C=CCC(F)(F)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000815993532 627722214 /nfs/dbraw/zinc/72/22/14/627722214.db2.gz UMWDEGKRXLRPKS-UHFFFAOYSA-N 0 3 313.344 3.246 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000816147133 627744017 /nfs/dbraw/zinc/74/40/17/627744017.db2.gz DHTMFRGBRXIVHS-MRXNPFEDSA-N 0 3 324.415 3.471 20 30 DGEDHN C[C@@H]1[C@@H](OC(=O)CC2(C#N)CC2)CCCN1Cc1ccccc1 ZINC000816468998 627792972 /nfs/dbraw/zinc/79/29/72/627792972.db2.gz QJVXQXGBBVCHSJ-WBVHZDCISA-N 0 3 312.413 3.277 20 30 DGEDHN C=CCC(F)(F)C(=O)N(CCC)CCN1CCCCCC1 ZINC000816721725 627826883 /nfs/dbraw/zinc/82/68/83/627826883.db2.gz OHXRQXVOSWVVPC-UHFFFAOYSA-N 0 3 302.409 3.312 20 30 DGEDHN CN1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000817405544 627893674 /nfs/dbraw/zinc/89/36/74/627893674.db2.gz GMZAZJYBAIIREH-UHFFFAOYSA-N 0 3 324.403 3.061 20 30 DGEDHN CC1CCC2(CC1)OC[C@@H](CNCc1ccc(C#N)c(F)c1)O2 ZINC000817408639 627894392 /nfs/dbraw/zinc/89/43/92/627894392.db2.gz KIRJPLJBFUDALX-CRPOECCBSA-N 0 3 318.392 3.109 20 30 DGEDHN C[C@@H](C1CC(F)(F)C1)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000926807252 627958928 /nfs/dbraw/zinc/95/89/28/627958928.db2.gz KGRDOBWOGPKKMU-ZDUSSCGKSA-N 0 3 305.372 3.114 20 30 DGEDHN C[C@H](NC[C@]1(c2ccccc2)CCCO1)c1cc(C#N)ccn1 ZINC000927122127 628021553 /nfs/dbraw/zinc/02/15/53/628021553.db2.gz ZLWHAGFGDZWUSA-KXBFYZLASA-N 0 3 307.397 3.310 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819734225 628184311 /nfs/dbraw/zinc/18/43/11/628184311.db2.gz KMBYLGIVEPGQKC-AWEZNQCLSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819734225 628184313 /nfs/dbraw/zinc/18/43/13/628184313.db2.gz KMBYLGIVEPGQKC-AWEZNQCLSA-N 0 3 303.385 3.230 20 30 DGEDHN C=C(C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882886 628606950 /nfs/dbraw/zinc/60/69/50/628606950.db2.gz FHDSKNHPGMVMLP-CQSZACIVSA-N 0 3 305.385 3.231 20 30 DGEDHN C=C(C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882886 628606951 /nfs/dbraw/zinc/60/69/51/628606951.db2.gz FHDSKNHPGMVMLP-CQSZACIVSA-N 0 3 305.385 3.231 20 30 DGEDHN C=CC[C@H](NCc1cc(C(=O)OCC)c(C)[nH]1)c1ccncc1 ZINC000823887579 628607334 /nfs/dbraw/zinc/60/73/34/628607334.db2.gz KOKKSHANSUDHQS-KRWDZBQOSA-N 0 3 313.401 3.302 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CC=CCC1 ZINC000823914920 628609712 /nfs/dbraw/zinc/60/97/12/628609712.db2.gz OUTJYGOYKIUQEO-OAHLLOKOSA-N 0 3 309.417 3.211 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CC=CCC1 ZINC000823914920 628609717 /nfs/dbraw/zinc/60/97/17/628609717.db2.gz OUTJYGOYKIUQEO-OAHLLOKOSA-N 0 3 309.417 3.211 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CC=CCC1 ZINC000823914920 628609721 /nfs/dbraw/zinc/60/97/21/628609721.db2.gz OUTJYGOYKIUQEO-OAHLLOKOSA-N 0 3 309.417 3.211 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CC=CCC1 ZINC000823914920 628609726 /nfs/dbraw/zinc/60/97/26/628609726.db2.gz OUTJYGOYKIUQEO-OAHLLOKOSA-N 0 3 309.417 3.211 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1scnc1C ZINC000824738341 628688384 /nfs/dbraw/zinc/68/83/84/628688384.db2.gz LQZOOBUYRGEURL-UHFFFAOYSA-N 0 3 320.845 3.449 20 30 DGEDHN C=C(CC)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000825221731 628739117 /nfs/dbraw/zinc/73/91/17/628739117.db2.gz WWEOIVZKHBLXPM-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(F)c2C(C)(F)F)CC1 ZINC000828304913 629043670 /nfs/dbraw/zinc/04/36/70/629043670.db2.gz IFIGPHCAVVTUTN-UHFFFAOYSA-N 0 3 324.346 3.221 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccccc2Cl)C1 ZINC000829769400 629189906 /nfs/dbraw/zinc/18/99/06/629189906.db2.gz UVCSLBITPIVZRJ-GJZGRUSLSA-N 0 3 318.848 3.253 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(F)cc1C#N)C1(CO)CC=CC1 ZINC000830531358 629281446 /nfs/dbraw/zinc/28/14/46/629281446.db2.gz MMMVDCWPKYPLKY-QGZVFWFLSA-N 0 3 302.393 3.140 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)NC(COC)COC)cc1 ZINC000834889855 629798583 /nfs/dbraw/zinc/79/85/83/629798583.db2.gz GOLJDDLCICGANT-ZDUSSCGKSA-N 0 3 313.825 3.130 20 30 DGEDHN C#CCOc1ccc(CN[C@H]2CCc3ccc(OC)cc32)cc1 ZINC000834889963 629798689 /nfs/dbraw/zinc/79/86/89/629798689.db2.gz HPYHIVMRSOXSLI-FQEVSTJZSA-N 0 3 307.393 3.484 20 30 DGEDHN C#CCN(C)CCCNC(=O)N(CC)[C@@H](CC)c1ccccc1 ZINC000836488169 630121414 /nfs/dbraw/zinc/12/14/14/630121414.db2.gz MWPMLGJCDUBNCG-SFHVURJKSA-N 0 3 315.461 3.124 20 30 DGEDHN Cc1ccccc1CN1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837340189 630244066 /nfs/dbraw/zinc/24/40/66/630244066.db2.gz CQVQGDLIGSCEHP-UHFFFAOYSA-N 0 3 312.457 3.079 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000837373910 630249428 /nfs/dbraw/zinc/24/94/28/630249428.db2.gz MRQMVOBYPQIGFU-SFHVURJKSA-N 0 3 312.457 3.207 20 30 DGEDHN CCCN(C)[C@@H](CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC000837626743 630288999 /nfs/dbraw/zinc/28/89/99/630288999.db2.gz NDCBRRPTKJEKLN-KRWDZBQOSA-N 0 3 318.848 3.253 20 30 DGEDHN C=C(C)CN1CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840894826 630373681 /nfs/dbraw/zinc/37/36/81/630373681.db2.gz VSZRYMLGSNJEGS-UHFFFAOYSA-N 0 3 308.853 3.484 20 30 DGEDHN CCOc1cc(CNCC2(CC#N)CC2)ccc1OC(=O)CC ZINC000840941975 630381831 /nfs/dbraw/zinc/38/18/31/630381831.db2.gz RAIKZLJUDKZSTG-UHFFFAOYSA-N 0 3 316.401 3.184 20 30 DGEDHN CCOc1cc(CNCC(C)(C)CC#N)ccc1OC(=O)CC ZINC000840953324 630383268 /nfs/dbraw/zinc/38/32/68/630383268.db2.gz PTZRHUXNHGPKNT-UHFFFAOYSA-N 0 3 318.417 3.430 20 30 DGEDHN Cc1cc(C)cc(OCCN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000841492767 630442294 /nfs/dbraw/zinc/44/22/94/630442294.db2.gz ONLSEFZCIBVMIM-HXUWFJFHSA-N 0 3 324.424 3.219 20 30 DGEDHN CCCCCCO[C@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842285609 630511368 /nfs/dbraw/zinc/51/13/68/630511368.db2.gz RHKCEWIIHXLQGU-HIFRSBDPSA-N 0 3 303.406 3.255 20 30 DGEDHN COc1ccc(C(C)=NNC23CC(C2)C3)cc1CN1CCCC1 ZINC000842547528 630546451 /nfs/dbraw/zinc/54/64/51/630546451.db2.gz OLPUUHVHSSCPII-UHFFFAOYSA-N 0 3 313.445 3.157 20 30 DGEDHN N#CCCCCNCc1cc(Br)cnc1Cl ZINC000842676289 630562137 /nfs/dbraw/zinc/56/21/37/630562137.db2.gz OXUYQWQJVCBWGN-UHFFFAOYSA-N 0 3 302.603 3.281 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CCC3)C2)cc1 ZINC000842686486 630562961 /nfs/dbraw/zinc/56/29/61/630562961.db2.gz NPHGAEBCUXYDFG-INIZCTEOSA-N 0 3 310.397 3.477 20 30 DGEDHN CC(C)(C)N(Cc1ccccc1)Cc1cnc2c(C#N)cnn2c1 ZINC000843390647 630651529 /nfs/dbraw/zinc/65/15/29/630651529.db2.gz AYQRDOFLTAXQAL-UHFFFAOYSA-N 0 3 319.412 3.402 20 30 DGEDHN CCCN(CCC)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000843424929 630657220 /nfs/dbraw/zinc/65/72/20/630657220.db2.gz AKQUGBWOOVDUAW-IBGZPJMESA-N 0 3 315.461 3.163 20 30 DGEDHN COc1ccc(N(C)CCN(C)Cc2cccc(C#N)c2)cc1 ZINC000844399151 630724549 /nfs/dbraw/zinc/72/45/49/630724549.db2.gz HNUYRXQQGOMXNL-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN C=C(C)CONC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000845598866 631182816 /nfs/dbraw/zinc/18/28/16/631182816.db2.gz BJUQDTNXZLOOPI-QGZVFWFLSA-N 0 3 317.433 3.021 20 30 DGEDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(C#N)c(Cl)c1 ZINC000845729847 631192176 /nfs/dbraw/zinc/19/21/76/631192176.db2.gz DUIKIMDGABYXOL-ZDUSSCGKSA-N 0 3 306.793 3.241 20 30 DGEDHN CCc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000846007446 631205388 /nfs/dbraw/zinc/20/53/88/631205388.db2.gz NMFDKQCLNVHWSO-KRWDZBQOSA-N 0 3 300.427 3.348 20 30 DGEDHN N#CCCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000847678670 631512640 /nfs/dbraw/zinc/51/26/40/631512640.db2.gz PHKDPHNMTBCOMD-KRWDZBQOSA-N 0 3 300.402 3.278 20 30 DGEDHN C#CCCCC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847747273 631531744 /nfs/dbraw/zinc/53/17/44/631531744.db2.gz FJFWSSGAIRXVTF-UHFFFAOYSA-N 0 3 324.424 3.139 20 30 DGEDHN N#CC1(COC(=O)c2ccco2)CCN(Cc2ccccc2)CC1 ZINC000847746054 631531931 /nfs/dbraw/zinc/53/19/31/631531931.db2.gz WXWYXDYHFFIDDW-UHFFFAOYSA-N 0 3 324.380 3.242 20 30 DGEDHN Brc1ccc(N=NC2CCCN3CCCC[C@@H]23)cn1 ZINC000848407015 631655567 /nfs/dbraw/zinc/65/55/67/631655567.db2.gz VMXVRRDCWSXXQC-ZDUSSCGKSA-N 0 3 323.238 3.260 20 30 DGEDHN CCN(c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1)C(C)C ZINC000848407899 631655585 /nfs/dbraw/zinc/65/55/85/631655585.db2.gz WZAODCJYGGSXGN-QGZVFWFLSA-N 0 3 316.449 3.271 20 30 DGEDHN CC(C)N(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000848411830 631656932 /nfs/dbraw/zinc/65/69/32/631656932.db2.gz UOZCMOKDQQFMNI-HNNXBMFYSA-N 0 3 320.412 3.020 20 30 DGEDHN N#CCOc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848533172 631682048 /nfs/dbraw/zinc/68/20/48/631682048.db2.gz FEKXXAVGQAUGLK-QGZVFWFLSA-N 0 3 323.352 3.274 20 30 DGEDHN CCc1cccc(CN2CCN(c3ccccc3C#N)CC2)c1O 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CC#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000943988889 660206226 /nfs/dbraw/zinc/20/62/26/660206226.db2.gz STVJBVPPCRXCSJ-QFBILLFUSA-N 0 3 312.457 3.274 20 30 DGEDHN C=CCCN1CC(CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001032124259 660204309 /nfs/dbraw/zinc/20/43/09/660204309.db2.gz SFBDPVNMYIHWBL-UHFFFAOYSA-N 0 3 318.804 3.324 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)[C@@H](C)C1 ZINC000944193319 660215059 /nfs/dbraw/zinc/21/50/59/660215059.db2.gz UZTYHHJRGNFOPX-JXFKEZNVSA-N 0 3 322.452 3.110 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)[C@@H](C)C1 ZINC000945182199 660243018 /nfs/dbraw/zinc/24/30/18/660243018.db2.gz PEJPLJRSCVTVOA-RDJZCZTQSA-N 0 3 324.424 3.205 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](NCc2cncs2)C(C)(C)C1 ZINC000996239757 660278473 /nfs/dbraw/zinc/27/84/73/660278473.db2.gz XXUBASSUXLLMIQ-WMLDXEAASA-N 0 3 321.490 3.072 20 30 DGEDHN CC(C(=O)N1CCC(NCc2ccccc2C#N)CC1)=C1CCC1 ZINC000996393884 660281740 /nfs/dbraw/zinc/28/17/40/660281740.db2.gz 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C#CCN1CCC[C@@H](N(CC)C(=O)c2sccc2C)CC1 ZINC000997895312 660349540 /nfs/dbraw/zinc/34/95/40/660349540.db2.gz RIEGUWBTMHBVPF-OAHLLOKOSA-N 0 3 304.459 3.006 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccc(F)cc2)CC1 ZINC000997910575 660353537 /nfs/dbraw/zinc/35/35/37/660353537.db2.gz YNUCTGQXFYHXRM-SFHVURJKSA-N 0 3 316.420 3.166 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000997924026 660356081 /nfs/dbraw/zinc/35/60/81/660356081.db2.gz ZVZAYPUORXUZIQ-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2c(C)coc2C)CC1 ZINC000998003615 660363167 /nfs/dbraw/zinc/36/31/67/660363167.db2.gz HTENFHZACLWWCV-QGZVFWFLSA-N 0 3 316.445 3.236 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000998005557 660363179 /nfs/dbraw/zinc/36/31/79/660363179.db2.gz GAOISSSVVFHZRP-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000998005556 660363232 /nfs/dbraw/zinc/36/32/32/660363232.db2.gz 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318.848 3.114 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2cc3c(cccc3C)o2)CC1 ZINC001002152948 660465584 /nfs/dbraw/zinc/46/55/84/660465584.db2.gz JDNUBIDKAXYNQE-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sc(C3CC3)nc2C)C1 ZINC001033070953 660535956 /nfs/dbraw/zinc/53/59/56/660535956.db2.gz UPFYUWVRBRUFCB-AWEZNQCLSA-N 0 3 319.474 3.051 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)CC(C)C)CC1 ZINC001004329712 660542757 /nfs/dbraw/zinc/54/27/57/660542757.db2.gz BFIJMAGFZKXMRF-INIZCTEOSA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C2CC=CC2)CC1 ZINC001004382850 660547693 /nfs/dbraw/zinc/54/76/93/660547693.db2.gz WEYOVBCVPWGPEW-KRWDZBQOSA-N 0 3 322.880 3.408 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(CCC)s2)C1 ZINC001033117659 660551558 /nfs/dbraw/zinc/55/15/58/660551558.db2.gz STNNXAOGXMNVSH-AWEZNQCLSA-N 0 3 306.475 3.423 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(OCCC)c2)C1 ZINC001033130284 660553816 /nfs/dbraw/zinc/55/38/16/660553816.db2.gz VHJWSEDHHKDZHO-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001033166823 660571060 /nfs/dbraw/zinc/57/10/60/660571060.db2.gz YLNLPZLCMLUAIM-GUDVDZBRSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC3(C)CC3)CC[C@@H]2C1 ZINC000946681653 660574081 /nfs/dbraw/zinc/57/40/81/660574081.db2.gz PZTJXTCPRAWLMS-GASCZTMLSA-N 0 3 310.869 3.100 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)c3ccccc3n2)C1 ZINC001033196400 660583682 /nfs/dbraw/zinc/58/36/82/660583682.db2.gz CPIXSYVCBZQYOU-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(F)ccc2CC)C1 ZINC001033225766 660593341 /nfs/dbraw/zinc/59/33/41/660593341.db2.gz KSZGANWVNOPFTD-INIZCTEOSA-N 0 3 304.409 3.111 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001033294122 660604809 /nfs/dbraw/zinc/60/48/09/660604809.db2.gz TYUGANGXDFFSBC-KRWDZBQOSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C(C)C)C1 ZINC001033313839 660607587 /nfs/dbraw/zinc/60/75/87/660607587.db2.gz ZWAJXUVODRQVHP-MRXNPFEDSA-N 0 3 315.461 3.236 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946809208 660608456 /nfs/dbraw/zinc/60/84/56/660608456.db2.gz ZDENBTLHHQCBME-PQEBFOHHSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446478 660622378 /nfs/dbraw/zinc/62/23/78/660622378.db2.gz JNWZYPAQEYUKFQ-HNNXBMFYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001033459346 660625088 /nfs/dbraw/zinc/62/50/88/660625088.db2.gz CQJLAIOAEOFRFC-GOSISDBHSA-N 0 3 314.473 3.245 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C(F)F)cc2)C1 ZINC001033508737 660628120 /nfs/dbraw/zinc/62/81/20/660628120.db2.gz NVGSOLOCJDBTAK-HNNXBMFYSA-N 0 3 308.372 3.347 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033533396 660630560 /nfs/dbraw/zinc/63/05/60/660630560.db2.gz RBFAVFIMDPZYMP-KZNAEPCWSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001033565350 660631750 /nfs/dbraw/zinc/63/17/50/660631750.db2.gz FHQWYVXNMGEZHL-LJQANCHMSA-N 0 3 322.408 3.116 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033588719 660635178 /nfs/dbraw/zinc/63/51/78/660635178.db2.gz HPRVZQQLUZSENE-SJLPKXTDSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)s2)C1 ZINC001033585056 660636183 /nfs/dbraw/zinc/63/61/83/660636183.db2.gz GRKISPJALICKJW-CQSZACIVSA-N 0 3 304.459 3.348 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001033603905 660637370 /nfs/dbraw/zinc/63/73/70/660637370.db2.gz XAWXHEQLUXLGPS-MOPGFXCFSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001033603907 660637551 /nfs/dbraw/zinc/63/75/51/660637551.db2.gz XAWXHEQLUXLGPS-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033621730 660640424 /nfs/dbraw/zinc/64/04/24/660640424.db2.gz CONPKISRILJUAV-NRXISQOPSA-N 0 3 314.420 3.167 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2oc3ccccc3c2C)C1 ZINC001033636442 660643044 /nfs/dbraw/zinc/64/30/44/660643044.db2.gz YZVJDTRWXCKPHM-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001033659975 660648244 /nfs/dbraw/zinc/64/82/44/660648244.db2.gz GJXCDHCLBKSMCZ-INIZCTEOSA-N 0 3 309.413 3.014 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)C[C@H]1C ZINC000947963404 660662019 /nfs/dbraw/zinc/66/20/19/660662019.db2.gz UJVHJSGJSYMECC-VXGBXAGGSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001005394601 660668304 /nfs/dbraw/zinc/66/83/04/660668304.db2.gz BRBJFLLAPREVNJ-HKUYNNGSSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc3nccc(C)c3c2)CC1 ZINC001005439812 660676642 /nfs/dbraw/zinc/67/66/42/660676642.db2.gz GUXPLBWJEAZTBU-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033856811 660671441 /nfs/dbraw/zinc/67/14/41/660671441.db2.gz WZALURYJVDJCDH-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)cc2F)C1 ZINC001033891722 660676322 /nfs/dbraw/zinc/67/63/22/660676322.db2.gz FWDLYKIVUGIBKQ-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033908508 660677871 /nfs/dbraw/zinc/67/78/71/660677871.db2.gz TVTYQCHPHXJDTK-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909739 660678523 /nfs/dbraw/zinc/67/85/23/660678523.db2.gz ZUFSDFSBZXEBIJ-XMTFNYHQSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033931680 660680960 /nfs/dbraw/zinc/68/09/60/660680960.db2.gz QCXHKJJDBOEPQJ-HNNXBMFYSA-N 0 3 303.450 3.251 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001033937886 660682369 /nfs/dbraw/zinc/68/23/69/660682369.db2.gz LFQJQBZLMBWZTP-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cc2C)C1 ZINC001033940082 660684587 /nfs/dbraw/zinc/68/45/87/660684587.db2.gz CLHKDYBGLUQVEF-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(OC)cc2C)C1 ZINC001033939682 660684599 /nfs/dbraw/zinc/68/45/99/660684599.db2.gz ZMFJNXUNCRKSKT-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2nccc3ccccc32)C1 ZINC001033942415 660684837 /nfs/dbraw/zinc/68/48/37/660684837.db2.gz MEMKMGQAGXYNMB-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnc3ccccc3c2)C1 ZINC001033975594 660687932 /nfs/dbraw/zinc/68/79/32/660687932.db2.gz NNMJAUVJTTZHCZ-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033986836 660689362 /nfs/dbraw/zinc/68/93/62/660689362.db2.gz ZWRIUBQENLCOBK-SLFFLAALSA-N 0 3 324.468 3.045 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033986648 660689663 /nfs/dbraw/zinc/68/96/63/660689663.db2.gz VFVNNXULNBDXHL-YZGWKJHDSA-N 0 3 324.468 3.045 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(C(C)C)c2)C1 ZINC001034010764 660692944 /nfs/dbraw/zinc/69/29/44/660692944.db2.gz WPYDXYLQIPTEFV-IBGZPJMESA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cnc(C3CC3)s2)C1 ZINC001034021491 660693334 /nfs/dbraw/zinc/69/33/34/660693334.db2.gz YBMYZJRJZWEBHO-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cnc(C3CC3)s2)C1 ZINC001034021492 660693657 /nfs/dbraw/zinc/69/36/57/660693657.db2.gz YBMYZJRJZWEBHO-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(Cl)cn2CC)C1 ZINC001034038092 660698148 /nfs/dbraw/zinc/69/81/48/660698148.db2.gz PHSBTFQPINBMIR-HNNXBMFYSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034050802 660702509 /nfs/dbraw/zinc/70/25/09/660702509.db2.gz OVUKOPQIOAVNIN-QGZVFWFLSA-N 0 3 304.409 3.269 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC001034051183 660702548 /nfs/dbraw/zinc/70/25/48/660702548.db2.gz TZFKSSVLYMSKFW-IBGZPJMESA-N 0 3 310.441 3.124 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(OCC)cc2)C1 ZINC001034032340 660697110 /nfs/dbraw/zinc/69/71/10/660697110.db2.gz PUQLTEWMMFODOO-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001034208733 660723767 /nfs/dbraw/zinc/72/37/67/660723767.db2.gz FFWZIQMBOWVKIG-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC001034221250 660726031 /nfs/dbraw/zinc/72/60/31/660726031.db2.gz LBGUWSFQPPLCJD-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001034247114 660727281 /nfs/dbraw/zinc/72/72/81/660727281.db2.gz JNASVOZIVRGWRP-YXOSVLIBSA-N 0 3 316.489 3.215 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001034253727 660729762 /nfs/dbraw/zinc/72/97/62/660729762.db2.gz MEWHSVBDGDIYCC-CYBMUJFWSA-N 0 3 324.371 3.133 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001034289701 660732716 /nfs/dbraw/zinc/73/27/16/660732716.db2.gz AWQNMKGIHLBDFR-INIZCTEOSA-N 0 3 316.445 3.082 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001034311529 660735706 /nfs/dbraw/zinc/73/57/06/660735706.db2.gz KTJUGOGVPZJHSW-MRXNPFEDSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001034335361 660738631 /nfs/dbraw/zinc/73/86/31/660738631.db2.gz DNMIMMIBKWFGRL-OAHLLOKOSA-N 0 3 315.392 3.077 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034373460 660742862 /nfs/dbraw/zinc/74/28/62/660742862.db2.gz SPVURXGOMNAWJU-HNNXBMFYSA-N 0 3 302.418 3.317 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001034375306 660743491 /nfs/dbraw/zinc/74/34/91/660743491.db2.gz OTOFENKNRPINHV-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)C[C@@H]1C ZINC000947963585 660744052 /nfs/dbraw/zinc/74/40/52/660744052.db2.gz VBWAHDQAPPVGND-KXBFYZLASA-N 0 3 306.409 3.056 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001034378541 660745063 /nfs/dbraw/zinc/74/50/63/660745063.db2.gz UVSPTVNXMVWJJQ-QGZVFWFLSA-N 0 3 323.440 3.248 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001034376576 660745185 /nfs/dbraw/zinc/74/51/85/660745185.db2.gz OVNGCFNFKLQXGD-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001034379524 660745514 /nfs/dbraw/zinc/74/55/14/660745514.db2.gz DILUPMQTJCSVIN-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001034382168 660745943 /nfs/dbraw/zinc/74/59/43/660745943.db2.gz PLMLWSHRTCBKIR-SFHVURJKSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001034448256 660752716 /nfs/dbraw/zinc/75/27/16/660752716.db2.gz OFLIEWBSVUORAP-LSDHHAIUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001034418354 660750991 /nfs/dbraw/zinc/75/09/91/660750991.db2.gz TZTYAHSYHMJMPA-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001034447235 660752251 /nfs/dbraw/zinc/75/22/51/660752251.db2.gz FSRNPRVNBRJUMB-OAHLLOKOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034506285 660763497 /nfs/dbraw/zinc/76/34/97/660763497.db2.gz AXIHSLYFJCGGMR-QGZVFWFLSA-N 0 3 313.445 3.119 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001034448254 660752806 /nfs/dbraw/zinc/75/28/06/660752806.db2.gz OFLIEWBSVUORAP-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034512920 660765278 /nfs/dbraw/zinc/76/52/78/660765278.db2.gz UBCYINHGDVRLTF-AWEZNQCLSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001034520649 660768169 /nfs/dbraw/zinc/76/81/69/660768169.db2.gz IWBGSHJQYOJCLU-QGZVFWFLSA-N 0 3 300.446 3.382 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034520744 660768312 /nfs/dbraw/zinc/76/83/12/660768312.db2.gz XXJLSBMKGJYWNX-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001034544426 660771454 /nfs/dbraw/zinc/77/14/54/660771454.db2.gz OPJNCKNUDHXZSG-PELRDEGISA-N 0 3 324.468 3.265 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001034544991 660771606 /nfs/dbraw/zinc/77/16/06/660771606.db2.gz RLINAKGBECUGPX-OAHLLOKOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001034548698 660772674 /nfs/dbraw/zinc/77/26/74/660772674.db2.gz RTUWJGVVHLSTKW-XJKSGUPXSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001034547660 660772703 /nfs/dbraw/zinc/77/27/03/660772703.db2.gz SAKFECBYSLRSDA-PXNSSMCTSA-N 0 3 312.457 3.047 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccc(C#N)o2)CC1 ZINC000321922049 660783256 /nfs/dbraw/zinc/78/32/56/660783256.db2.gz QWDGQRIFIQVPFW-JOCQHMNTSA-N 0 3 319.405 3.077 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)cc(Cl)c2)CC1 ZINC001005715062 660792814 /nfs/dbraw/zinc/79/28/14/660792814.db2.gz WQVLMPIFCIOURD-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC001005788859 660815801 /nfs/dbraw/zinc/81/58/01/660815801.db2.gz JVTQHOUUHKALNC-UHFFFAOYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc3ncccc32)CC1 ZINC001005796074 660837786 /nfs/dbraw/zinc/83/77/86/660837786.db2.gz REZOXOWJPYTVAH-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC13CC3)CC2 ZINC001035732308 660848077 /nfs/dbraw/zinc/84/80/77/660848077.db2.gz YJSXFBUYBFKUKG-MRXNPFEDSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C1CCC1)CC2 ZINC001035759422 660849151 /nfs/dbraw/zinc/84/91/51/660849151.db2.gz GHYWNEGYUXKWSL-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)C(C)(C)C)CC2 ZINC001035769098 660850356 /nfs/dbraw/zinc/85/03/56/660850356.db2.gz SZTYNEDCBLMSGW-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CCC(=C)CC1)CC2 ZINC001035787093 660852038 /nfs/dbraw/zinc/85/20/38/660852038.db2.gz MSLOHNZGQUQZSR-UHFFFAOYSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]1CC)CC2 ZINC001035787696 660852178 /nfs/dbraw/zinc/85/21/78/660852178.db2.gz RUXJMEUABXNGLL-DLBZAZTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C(C)(F)F)CC2 ZINC001035843602 660858017 /nfs/dbraw/zinc/85/80/17/660858017.db2.gz UPXKEGYKHCNEQB-UHFFFAOYSA-N 0 3 314.420 3.168 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC001035845270 660858393 /nfs/dbraw/zinc/85/83/93/660858393.db2.gz FNKNQJVVNWFCDT-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC(C1CC1)C1CC1)CC2 ZINC001035857060 660860316 /nfs/dbraw/zinc/86/03/16/660860316.db2.gz DLDWVMHNQFBVGZ-UHFFFAOYSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cscn2)[C@H](C)C1 ZINC001036141757 660877537 /nfs/dbraw/zinc/87/75/37/660877537.db2.gz ILHAALIDPHHPLK-UKRRQHHQSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2c(C)cc(F)cc2C)CC1 ZINC001005811068 660939922 /nfs/dbraw/zinc/93/99/22/660939922.db2.gz HEGVRNHWTXTTTQ-UHFFFAOYSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC001005808762 660940139 /nfs/dbraw/zinc/94/01/39/660940139.db2.gz LYVYKTJQHKGZOH-UHFFFAOYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC001005922631 660949588 /nfs/dbraw/zinc/94/95/88/660949588.db2.gz IAVSIMAWHJZVJU-UHFFFAOYSA-N 0 3 314.473 3.263 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2-n2cccc2)CC1 ZINC001005931677 660950946 /nfs/dbraw/zinc/95/09/46/660950946.db2.gz TZBXJFBQBZQQIU-UHFFFAOYSA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@]3(C)CC)CC[C@@H]2C1 ZINC000946843329 660943161 /nfs/dbraw/zinc/94/31/61/660943161.db2.gz XTHZPUJIQJWYNN-DFGXFYAUSA-N 0 3 324.896 3.346 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(OCC)c(C)c2)CC1 ZINC001006085343 660962609 /nfs/dbraw/zinc/96/26/09/660962609.db2.gz DIWLASOOUYWNNL-UHFFFAOYSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)c2ccccc2F)CC1 ZINC001006138770 660965135 /nfs/dbraw/zinc/96/51/35/660965135.db2.gz GJLVMGISPSODCZ-UHFFFAOYSA-N 0 3 318.436 3.212 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC001006152795 660966002 /nfs/dbraw/zinc/96/60/02/660966002.db2.gz VHMXZXOIXNFKED-CQSZACIVSA-N 0 3 304.434 3.109 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)ccc2F)CC1 ZINC001006050532 660958995 /nfs/dbraw/zinc/95/89/95/660958995.db2.gz ZEOKHMZDUIDFHB-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795101329 661126636 /nfs/dbraw/zinc/12/66/36/661126636.db2.gz LWZKBHLQOAQQMH-ARFHVFGLSA-N 0 3 306.450 3.120 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000795336148 661141252 /nfs/dbraw/zinc/14/12/52/661141252.db2.gz XVRNTTMFHMFMJM-AZUAARDMSA-N 0 3 318.420 3.016 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC000969114295 655524020 /nfs/dbraw/zinc/52/40/20/655524020.db2.gz FUSGDDWJAHASCK-HNNXBMFYSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC000969130597 655526828 /nfs/dbraw/zinc/52/68/28/655526828.db2.gz MTBLWSQXQXTSSD-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC000969151427 655528294 /nfs/dbraw/zinc/52/82/94/655528294.db2.gz ZEZXUCCWXRWBJM-MRXNPFEDSA-N 0 3 303.450 3.229 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC000969154145 655528787 /nfs/dbraw/zinc/52/87/87/655528787.db2.gz YPSDAFZANSPKGM-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC000969161002 655529632 /nfs/dbraw/zinc/52/96/32/655529632.db2.gz PFEWZWFMHZPMFO-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C[C@@H](C#N)OCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795576308 661161249 /nfs/dbraw/zinc/16/12/49/661161249.db2.gz RSEKHUQUDBZTMB-SWLSCSKDSA-N 0 3 310.850 3.435 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001020575778 655555878 /nfs/dbraw/zinc/55/58/78/655555878.db2.gz QPMDZAUPAUBZLJ-HDJSIYSDSA-N 0 3 318.848 3.341 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC000969981147 655566535 /nfs/dbraw/zinc/56/65/35/655566535.db2.gz NCQZGLVCBFBOPD-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001020710759 655571135 /nfs/dbraw/zinc/57/11/35/655571135.db2.gz XBWXJEGCZSGPNZ-AAVRWANBSA-N 0 3 324.877 3.149 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC001039116690 655581523 /nfs/dbraw/zinc/58/15/23/655581523.db2.gz ORVMPDTWPIDTCQ-YOEHRIQHSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001021081645 655589208 /nfs/dbraw/zinc/58/92/08/655589208.db2.gz FIQNQGHZAJPVDF-KKUMJFAQSA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001021154833 655593529 /nfs/dbraw/zinc/59/35/29/655593529.db2.gz LLRHJCCWHOXKQM-QAQDUYKDSA-N 0 3 320.864 3.414 20 30 DGEDHN C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C[C@H](F)CC)C1 ZINC001021373905 655609252 /nfs/dbraw/zinc/60/92/52/655609252.db2.gz VSNNFIZDFWKWAU-WZYMTQMTSA-N 0 3 308.441 3.202 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(C)cs2)C1 ZINC001039199501 655612130 /nfs/dbraw/zinc/61/21/30/655612130.db2.gz BHLKFLGKFYQNGP-CVEARBPZSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccs2)C1 ZINC001039206584 655614551 /nfs/dbraw/zinc/61/45/51/655614551.db2.gz MSLZTNMTIVKPOD-HOTGVXAUSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(C3CCC3)c2)C1 ZINC000970740530 655615685 /nfs/dbraw/zinc/61/56/85/655615685.db2.gz KAPMFBYXZAAPII-HNNXBMFYSA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2sccc2C)C1 ZINC001021494991 655619764 /nfs/dbraw/zinc/61/97/64/655619764.db2.gz GFKQCRBIYJTNQJ-CVEARBPZSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C)s2)C1 ZINC001021505771 655621820 /nfs/dbraw/zinc/62/18/20/655621820.db2.gz NRYWVJMYIIJTJT-HOTGVXAUSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC000970843013 655628553 /nfs/dbraw/zinc/62/85/53/655628553.db2.gz LZVVXWZLBIIVOK-GFCCVEGCSA-N 0 3 304.459 3.252 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970847837 655629445 /nfs/dbraw/zinc/62/94/45/655629445.db2.gz HFGRXBMJZNGBSQ-INIZCTEOSA-N 0 3 300.446 3.238 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001021556765 655631396 /nfs/dbraw/zinc/63/13/96/655631396.db2.gz BBINLZCZRCBZAL-MOPGFXCFSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2=CCCCCC2)C1 ZINC001021568531 655634066 /nfs/dbraw/zinc/63/40/66/655634066.db2.gz KCHMDYWVSYNSTA-RBUKOAKNSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000970913924 655636952 /nfs/dbraw/zinc/63/69/52/655636952.db2.gz UAFMOHBASJPPMX-CYBMUJFWSA-N 0 3 318.486 3.119 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC000970931621 655638637 /nfs/dbraw/zinc/63/86/37/655638637.db2.gz ONCGWYDDHSQMJF-JKSUJKDBSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000970968033 655644700 /nfs/dbraw/zinc/64/47/00/655644700.db2.gz KHIILEHJMGTULF-HNNXBMFYSA-N 0 3 323.440 3.308 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CCCCCCC2)C1 ZINC001021631764 655645985 /nfs/dbraw/zinc/64/59/85/655645985.db2.gz ZXJDPRAHSGIOJO-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000970997073 655648567 /nfs/dbraw/zinc/64/85/67/655648567.db2.gz PUYDKITYXRICTA-ZDUSSCGKSA-N 0 3 322.399 3.425 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(CCC)cc2)C1 ZINC001021660440 655650956 /nfs/dbraw/zinc/65/09/56/655650956.db2.gz ZVKXEBSTLRWVNK-UXHICEINSA-N 0 3 324.468 3.199 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C)ccc2C)C1 ZINC001021722560 655664200 /nfs/dbraw/zinc/66/42/00/655664200.db2.gz OXNHLRXLMJNUTN-AZUAARDMSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CCC=CCC2)C1 ZINC001021742756 655669147 /nfs/dbraw/zinc/66/91/47/655669147.db2.gz NFMPEDWLBIPMRO-OALUTQOASA-N 0 3 314.473 3.069 20 30 DGEDHN C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001039335309 655670476 /nfs/dbraw/zinc/67/04/76/655670476.db2.gz XITGNQKNXDVIFD-CVEARBPZSA-N 0 3 314.429 3.037 20 30 DGEDHN C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001039335309 655670477 /nfs/dbraw/zinc/67/04/77/655670477.db2.gz XITGNQKNXDVIFD-CVEARBPZSA-N 0 3 314.429 3.037 20 30 DGEDHN Cc1cccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000050680204 655673914 /nfs/dbraw/zinc/67/39/14/655673914.db2.gz JEERKMPQUXEBON-QGZVFWFLSA-N 0 3 312.413 3.085 20 30 DGEDHN N#CC(C(=O)CC/C=C\c1ccccc1)C(=O)NC1CCCC1 ZINC000255317039 655697862 /nfs/dbraw/zinc/69/78/62/655697862.db2.gz XXQVVDTXGIEDNL-BOHLGEJMSA-N 0 3 310.397 3.248 20 30 DGEDHN Cc1noc(C[C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC000933573548 655722324 /nfs/dbraw/zinc/72/23/24/655722324.db2.gz MHVCXSFNHNGBID-INIZCTEOSA-N 0 3 310.401 3.013 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1C ZINC001039442697 655728213 /nfs/dbraw/zinc/72/82/13/655728213.db2.gz OQBLYAQGOVFIRK-MOPGFXCFSA-N 0 3 312.457 3.179 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001022404756 655735953 /nfs/dbraw/zinc/73/59/53/655735953.db2.gz XKUPAQSQIANYLV-GASCZTMLSA-N 0 3 306.837 3.242 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001022524042 655747301 /nfs/dbraw/zinc/74/73/01/655747301.db2.gz TULOUMHMANKPRA-OKILXGFUSA-N 0 3 317.820 3.079 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3cscc3s2)C1 ZINC000971957572 655750767 /nfs/dbraw/zinc/75/07/67/655750767.db2.gz LFVQLIPLBAPRQZ-GFCCVEGCSA-N 0 3 306.456 3.295 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC000972056197 655760559 /nfs/dbraw/zinc/76/05/59/655760559.db2.gz WJNRLTHWHRJMHI-SFHVURJKSA-N 0 3 312.457 3.135 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC000972082627 655763549 /nfs/dbraw/zinc/76/35/49/655763549.db2.gz PILCOCMAYZESFH-QGZVFWFLSA-N 0 3 318.436 3.401 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](Cc2nccs2)C1 ZINC000934334466 655768550 /nfs/dbraw/zinc/76/85/50/655768550.db2.gz VQCZSHGROBXQFE-AWEZNQCLSA-N 0 3 313.426 3.088 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(Cl)oc3ccccc32)C1 ZINC000972149385 655772711 /nfs/dbraw/zinc/77/27/11/655772711.db2.gz BXQGGKSQFROJOZ-LBPRGKRZSA-N 0 3 318.804 3.419 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)Cc3cccc(F)c3)C2)C1 ZINC000972275743 655784837 /nfs/dbraw/zinc/78/48/37/655784837.db2.gz PRBZGKRRALBSAV-KRWDZBQOSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001022803600 655790320 /nfs/dbraw/zinc/79/03/20/655790320.db2.gz IKCPZQPCTXDQTE-AOOOYVTPSA-N 0 3 305.230 3.004 20 30 DGEDHN N#CCCCCNCc1ccccc1I ZINC000308878818 655803355 /nfs/dbraw/zinc/80/33/55/655803355.db2.gz OUKBIDQPWNJSNP-UHFFFAOYSA-N 0 3 314.170 3.075 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001023059774 655811321 /nfs/dbraw/zinc/81/13/21/655811321.db2.gz RYFATSZGOYWWAC-GASCZTMLSA-N 0 3 306.837 3.215 20 30 DGEDHN C#CCOc1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000156315619 655812651 /nfs/dbraw/zinc/81/26/51/655812651.db2.gz WXCACHAZZCBNHS-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001023165415 655815736 /nfs/dbraw/zinc/81/57/36/655815736.db2.gz BLKNAQAGZRUREA-TXEJJXNPSA-N 0 3 304.777 3.036 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(CCC)s2)C1 ZINC001023396230 655831410 /nfs/dbraw/zinc/83/14/10/655831410.db2.gz PZFZATKLJYLGJI-HNNXBMFYSA-N 0 3 318.486 3.166 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001023451621 655835177 /nfs/dbraw/zinc/83/51/77/655835177.db2.gz RKMCZIWMJUHONR-DFQSSKMNSA-N 0 3 324.468 3.032 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001023476263 655835962 /nfs/dbraw/zinc/83/59/62/655835962.db2.gz KPOZUWKPDPLVIA-GOSISDBHSA-N 0 3 312.457 3.104 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C)cc2Cl)C1 ZINC001023599171 655846281 /nfs/dbraw/zinc/84/62/81/655846281.db2.gz BZTLXMMDMGXZOW-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC000972612496 655849692 /nfs/dbraw/zinc/84/96/92/655849692.db2.gz LQNSPEDNILEGGU-GOSISDBHSA-N 0 3 321.424 3.081 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2C(C)C)C[C@@H]1C ZINC000947584929 655853453 /nfs/dbraw/zinc/85/34/53/655853453.db2.gz OMXUYJKKYDWMCX-JKSUJKDBSA-N 0 3 315.461 3.282 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C[C@@H]1C ZINC000947586862 655854839 /nfs/dbraw/zinc/85/48/39/655854839.db2.gz ZVJQXPVBGCOTSP-JKSUJKDBSA-N 0 3 323.440 3.001 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(C(F)F)c2)C1 ZINC001023711363 655856197 /nfs/dbraw/zinc/85/61/97/655856197.db2.gz YODNHPCDYIDPHV-AWEZNQCLSA-N 0 3 320.383 3.089 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001023727361 655858533 /nfs/dbraw/zinc/85/85/33/655858533.db2.gz HCECFENHEDCLKN-IVMQYODDSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001023768341 655863939 /nfs/dbraw/zinc/86/39/39/655863939.db2.gz PZESDZMJWNKASM-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000972788334 655882412 /nfs/dbraw/zinc/88/24/12/655882412.db2.gz CQULGTQDNMTYOY-LBPRGKRZSA-N 0 3 313.228 3.326 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000972791942 655882680 /nfs/dbraw/zinc/88/26/80/655882680.db2.gz XROXGQQXMSFZPQ-CQSZACIVSA-N 0 3 313.228 3.326 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448561 655906085 /nfs/dbraw/zinc/90/60/85/655906085.db2.gz QUVMGVWTCCIMOL-YESZJQIVSA-N 0 3 304.478 3.053 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC=C(C)C)cc1 ZINC001024587440 655920963 /nfs/dbraw/zinc/92/09/63/655920963.db2.gz ICHOSKPJFHSWTF-IBGZPJMESA-N 0 3 310.441 3.218 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001024591967 655921739 /nfs/dbraw/zinc/92/17/39/655921739.db2.gz KJZRMFMUEMEUBR-KRWDZBQOSA-N 0 3 323.440 3.084 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001024634133 655926149 /nfs/dbraw/zinc/92/61/49/655926149.db2.gz RDZGPBMGOADMOF-INIZCTEOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001024649650 655927622 /nfs/dbraw/zinc/92/76/22/655927622.db2.gz WFMAHPCZBAMBDM-MRXNPFEDSA-N 0 3 315.461 3.443 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001024649649 655927655 /nfs/dbraw/zinc/92/76/55/655927655.db2.gz WFMAHPCZBAMBDM-INIZCTEOSA-N 0 3 315.461 3.443 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001024676625 655929414 /nfs/dbraw/zinc/92/94/14/655929414.db2.gz XGFGWTHNSJTTIK-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001024677367 655929551 /nfs/dbraw/zinc/92/95/51/655929551.db2.gz HUUHFVQPUUBGFE-CYBMUJFWSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001024676843 655929594 /nfs/dbraw/zinc/92/95/94/655929594.db2.gz ZVWYCTABBILCGG-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001024682320 655929905 /nfs/dbraw/zinc/92/99/05/655929905.db2.gz ZAYVJDDMLLRHTO-QGZVFWFLSA-N 0 3 311.429 3.328 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001024681829 655930495 /nfs/dbraw/zinc/93/04/95/655930495.db2.gz SXHSXCBNSTUTIV-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001024693134 655930775 /nfs/dbraw/zinc/93/07/75/655930775.db2.gz WXAJHLDOADIQSO-CYBMUJFWSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1scnc1C(C)C ZINC001024698503 655931858 /nfs/dbraw/zinc/93/18/58/655931858.db2.gz JTAXTRBWKWTNPJ-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001024716561 655933056 /nfs/dbraw/zinc/93/30/56/655933056.db2.gz ZBMHNWFQCVQDAK-GOSISDBHSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001024761706 655935941 /nfs/dbraw/zinc/93/59/41/655935941.db2.gz JBVSARRWYZZDMX-INIZCTEOSA-N 0 3 316.445 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024765009 655936570 /nfs/dbraw/zinc/93/65/70/655936570.db2.gz ZFBMNRKBBCYJDY-CEXWTWQISA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001024785256 655938567 /nfs/dbraw/zinc/93/85/67/655938567.db2.gz GIFQFRWSSRHRAZ-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785849 655938814 /nfs/dbraw/zinc/93/88/14/655938814.db2.gz RQHSYZKSZFZVEP-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024811114 655941585 /nfs/dbraw/zinc/94/15/85/655941585.db2.gz MXPAENDVUWOOKP-IBGZPJMESA-N 0 3 310.441 3.172 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001024816084 655942313 /nfs/dbraw/zinc/94/23/13/655942313.db2.gz BAVWKEYBDGPDAR-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C/Cl)C2)CC1 ZINC001036810587 661206871 /nfs/dbraw/zinc/20/68/71/661206871.db2.gz FIVZLDZIVONIDW-JYHBFMBFSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188984 655974140 /nfs/dbraw/zinc/97/41/40/655974140.db2.gz NECQMOSEBOIBAT-ZIAGYGMSSA-N 0 3 300.393 3.063 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001025197901 655977205 /nfs/dbraw/zinc/97/72/05/655977205.db2.gz LNUDSGAKUNDNCC-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001025209192 655978512 /nfs/dbraw/zinc/97/85/12/655978512.db2.gz KLRSJAPECHIESH-MOPGFXCFSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001025208834 655978536 /nfs/dbraw/zinc/97/85/36/655978536.db2.gz FNYGPRJMZRBTHM-OALUTQOASA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025217932 655980272 /nfs/dbraw/zinc/98/02/72/655980272.db2.gz HAXISNODKMOQAY-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001007528006 655981692 /nfs/dbraw/zinc/98/16/92/655981692.db2.gz QJEBSCOVFGGOHH-GUDVDZBRSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001025246625 655984236 /nfs/dbraw/zinc/98/42/36/655984236.db2.gz XRJUHJRDADKVJQ-IRXDYDNUSA-N 0 3 320.452 3.138 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cccc(C)c1 ZINC001025264111 655986061 /nfs/dbraw/zinc/98/60/61/655986061.db2.gz WCBRFUUKYDUDQB-UXHICEINSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CCCCC1 ZINC001025268041 655986759 /nfs/dbraw/zinc/98/67/59/655986759.db2.gz VAXJUXMQCJXYQV-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC2(CCC2)C1 ZINC001025261429 655987028 /nfs/dbraw/zinc/98/70/28/655987028.db2.gz VSGGYTJDVPPUPB-MSOLQXFVSA-N 0 3 314.473 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001025269492 655987396 /nfs/dbraw/zinc/98/73/96/655987396.db2.gz RJPBCUNZLNMMBA-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(CC)CC ZINC001025300623 655990563 /nfs/dbraw/zinc/99/05/63/655990563.db2.gz DLUZDVWWHRKQAO-SJORKVTESA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001025300044 655990648 /nfs/dbraw/zinc/99/06/48/655990648.db2.gz AQHDDCIMGWTVJS-OALUTQOASA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001007571761 655997130 /nfs/dbraw/zinc/99/71/30/655997130.db2.gz SNXWVZDMEICQGW-INIZCTEOSA-N 0 3 312.457 3.202 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025361843 656000285 /nfs/dbraw/zinc/00/02/85/656000285.db2.gz RJYPCKJWTQBCPI-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001025429281 656010791 /nfs/dbraw/zinc/01/07/91/656010791.db2.gz BBMGCGPZNBSWRZ-UZLBHIALSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2sc(C)cc2C)C1 ZINC001025429224 656011028 /nfs/dbraw/zinc/01/10/28/656011028.db2.gz AECVFCBJOIXDBC-HZPDHXFCSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001025523046 656028138 /nfs/dbraw/zinc/02/81/38/656028138.db2.gz LUNXSBCONZJMLE-GDBMZVCRSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001025553263 656033969 /nfs/dbraw/zinc/03/39/69/656033969.db2.gz SUBWBFGLZLZAFX-OXQOHEQNSA-N 0 3 322.452 3.110 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC001025595025 656041962 /nfs/dbraw/zinc/04/19/62/656041962.db2.gz LIOXRUSHXVXMPB-JKSUJKDBSA-N 0 3 316.445 3.004 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC001025601207 656042981 /nfs/dbraw/zinc/04/29/81/656042981.db2.gz AXIBVBZZXWBROE-HOCLYGCPSA-N 0 3 318.848 3.194 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC001025609820 656046695 /nfs/dbraw/zinc/04/66/95/656046695.db2.gz HYGGQFBDCSACKZ-WBVHZDCISA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001025619499 656049962 /nfs/dbraw/zinc/04/99/62/656049962.db2.gz XPNJDGXDWHMTEI-UZLBHIALSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC001025634146 656053427 /nfs/dbraw/zinc/05/34/27/656053427.db2.gz ZRFLZBFXZSQNRH-HZPDHXFCSA-N 0 3 316.445 3.257 20 30 DGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000930623883 656106081 /nfs/dbraw/zinc/10/60/81/656106081.db2.gz VQVCMLDJERJMBZ-BBWFWOEESA-N 0 3 304.821 3.337 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2csc(C)c2C)C(C)(C)C1 ZINC000974618923 656216767 /nfs/dbraw/zinc/21/67/67/656216767.db2.gz GWNPNTSPAXITJC-HNNXBMFYSA-N 0 3 306.475 3.381 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(F)c2C)C(C)(C)C1 ZINC000974620536 656217532 /nfs/dbraw/zinc/21/75/32/656217532.db2.gz MGCJVWAHNKGJDI-MRXNPFEDSA-N 0 3 304.409 3.150 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C(C)C)nc2)C(C)(C)C1 ZINC000974679295 656221649 /nfs/dbraw/zinc/22/16/49/656221649.db2.gz GZIKJRWUPHFEIP-KRWDZBQOSA-N 0 3 315.461 3.221 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C(C)C)nc2)C(C)(C)C1 ZINC000974679302 656221678 /nfs/dbraw/zinc/22/16/78/656221678.db2.gz GZIKJRWUPHFEIP-QGZVFWFLSA-N 0 3 315.461 3.221 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C(C)(C)C1 ZINC000974722131 656225487 /nfs/dbraw/zinc/22/54/87/656225487.db2.gz CXHQLHNVDYFYQY-XHSDSOJGSA-N 0 3 318.486 3.254 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccc(CC)c2)C(C)(C)C1 ZINC000974742800 656227074 /nfs/dbraw/zinc/22/70/74/656227074.db2.gz OPUGFJFYRDPRGD-GOSISDBHSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C)cc2Cl)C(C)(C)C1 ZINC000974741244 656227138 /nfs/dbraw/zinc/22/71/38/656227138.db2.gz IDKFTZVEPQSKLS-INIZCTEOSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]c3ccccc23)C(C)(C)C1 ZINC000974783731 656229042 /nfs/dbraw/zinc/22/90/42/656229042.db2.gz NOAMTFHVFSCQMU-QGZVFWFLSA-N 0 3 311.429 3.184 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(C(F)F)c2)C(C)(C)C1 ZINC000974806126 656230498 /nfs/dbraw/zinc/23/04/98/656230498.db2.gz JOYLGPKUZGKNBM-HNNXBMFYSA-N 0 3 322.399 3.179 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C(C)(C)C1 ZINC000974863639 656235877 /nfs/dbraw/zinc/23/58/77/656235877.db2.gz KXVFICOIMGVGCB-MWDXBVQZSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(CCC)cc2)C(C)(C)C1 ZINC000974977809 656245112 /nfs/dbraw/zinc/24/51/12/656245112.db2.gz WJBOGCVHRWXYRV-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(C)cc(C)c2)C(C)(C)C1 ZINC000974987221 656248763 /nfs/dbraw/zinc/24/87/63/656248763.db2.gz KUVVUNIQFKIZQY-SFHVURJKSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3cc[nH]c3c2)C(C)(C)C1 ZINC000975093542 656257148 /nfs/dbraw/zinc/25/71/48/656257148.db2.gz KOKDGKUEXFDOBK-KRWDZBQOSA-N 0 3 311.429 3.184 20 30 DGEDHN N#CC(C(=O)CCOCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000125075493 656266176 /nfs/dbraw/zinc/26/61/76/656266176.db2.gz ARVMYNOJLFSVLY-HNNXBMFYSA-N 0 3 319.364 3.346 20 30 DGEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001027364455 656297333 /nfs/dbraw/zinc/29/73/33/656297333.db2.gz CZUARQGKJNNJLB-LJQANCHMSA-N 0 3 323.440 3.091 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC001027472072 656313138 /nfs/dbraw/zinc/31/31/38/656313138.db2.gz YKAQDGZDHADQSM-UUKMXZOPSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(CCCC)cc2)C1 ZINC001027484204 656315612 /nfs/dbraw/zinc/31/56/12/656315612.db2.gz YMEFIEOOFDLUHJ-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2scnc2C2CC2)C(C)(C)C1 ZINC000977284356 656320531 /nfs/dbraw/zinc/32/05/31/656320531.db2.gz JDNNEUQDOBQHJP-CYBMUJFWSA-N 0 3 319.474 3.037 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(Cl)c2)C(C)(C)C1 ZINC000977528167 656339097 /nfs/dbraw/zinc/33/90/97/656339097.db2.gz XNLGKVFFNJLDGM-OAHLLOKOSA-N 0 3 306.837 3.356 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc3ccccc3o2)C(C)(C)C1 ZINC000977561398 656343431 /nfs/dbraw/zinc/34/34/31/656343431.db2.gz ZTCHQHXXFXQZFV-QGZVFWFLSA-N 0 3 312.413 3.449 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000977635607 656349648 /nfs/dbraw/zinc/34/96/48/656349648.db2.gz ATWWJLWUOJVLJX-OAHLLOKOSA-N 0 3 306.475 3.002 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(C)CCC(C)CC2)C(C)(C)C1 ZINC000977648305 656352084 /nfs/dbraw/zinc/35/20/84/656352084.db2.gz ZEMSHSMSLMEXOR-WUJZJPHMSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C(C)(C)C1 ZINC000977646641 656352380 /nfs/dbraw/zinc/35/23/80/656352380.db2.gz UXLRVOLEKPAQRV-PXNSSMCTSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001027640934 656382820 /nfs/dbraw/zinc/38/28/20/656382820.db2.gz 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C=CCN(C)[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000980324828 656487068 /nfs/dbraw/zinc/48/70/68/656487068.db2.gz IQCFKYQTINLEHV-MRXNPFEDSA-N 0 3 318.848 3.090 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001039374717 656489714 /nfs/dbraw/zinc/48/97/14/656489714.db2.gz GVANDNWHLSJMNH-KURKYZTESA-N 0 3 314.473 3.045 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001039377554 656490217 /nfs/dbraw/zinc/49/02/17/656490217.db2.gz DYBVQPVFWSNWFW-MTHXSQLBSA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CCC2)CCC1 ZINC001039411821 656496100 /nfs/dbraw/zinc/49/61/00/656496100.db2.gz NIWBNCJQCNOEPW-MSOLQXFVSA-N 0 3 314.473 3.045 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC1(F)F ZINC001039424695 656498944 /nfs/dbraw/zinc/49/89/44/656498944.db2.gz DWVCHNAARHLHAD-KFWWJZLASA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Cl)cc1 ZINC001039465238 656507985 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C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000980524007 656519442 /nfs/dbraw/zinc/51/94/42/656519442.db2.gz OFYMYSFXJVJRND-SNVBAGLBSA-N 0 3 318.364 3.099 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000980571744 656525517 /nfs/dbraw/zinc/52/55/17/656525517.db2.gz FWJPKMFZLIMJEO-OAHLLOKOSA-N 0 3 308.372 3.131 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027969637 656557340 /nfs/dbraw/zinc/55/73/40/656557340.db2.gz RKGKOYCVRNJSLS-OWCLPIDISA-N 0 3 304.459 3.008 20 30 DGEDHN C=C1CCC(C(=O)N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000950047233 656560444 /nfs/dbraw/zinc/56/04/44/656560444.db2.gz RZURPNNXVJCPNO-QRQLOZEOSA-N 0 3 316.489 3.313 20 30 DGEDHN N#CC(C(=O)CCc1cc(Cl)cs1)C(=O)NC1CCCC1 ZINC000077866211 656565133 /nfs/dbraw/zinc/56/51/33/656565133.db2.gz WEAQXYQTDSUUFO-ZDUSSCGKSA-N 0 3 324.833 3.102 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccoc3Cl)C2)C1 ZINC001040169919 656567801 /nfs/dbraw/zinc/56/78/01/656567801.db2.gz LOBWTEZLOCWQMZ-INIZCTEOSA-N 0 3 308.809 3.047 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3c(C)coc3C)C2)C1 ZINC001040188515 656568216 /nfs/dbraw/zinc/56/82/16/656568216.db2.gz SAIFABNCGAFJDF-SFHVURJKSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cccc(C)c3F)C2)C1 ZINC001040218108 656569960 /nfs/dbraw/zinc/56/99/60/656569960.db2.gz XLABKCHMOQIMRV-IBGZPJMESA-N 0 3 316.420 3.248 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3occc3Cl)C2)C1 ZINC001040379295 656583564 /nfs/dbraw/zinc/58/35/64/656583564.db2.gz IIWDFWXBYRZNSY-INIZCTEOSA-N 0 3 308.809 3.047 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3(CC)CCCC3)C2)C1 ZINC001040473548 656589822 /nfs/dbraw/zinc/58/98/22/656589822.db2.gz INJUURLISWAQDK-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 ZINC001040503903 656592254 /nfs/dbraw/zinc/59/22/54/656592254.db2.gz WUWOPCPMELCBOJ-GOSISDBHSA-N 0 3 318.848 3.454 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccc(C4CC4)cc3)C2)C1 ZINC001040533804 656594274 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CC#CCN1CCC2(CCN(C(=O)[C@@H](C)C3CCCC3)C2)CC1 ZINC001040909920 656614705 /nfs/dbraw/zinc/61/47/05/656614705.db2.gz MLOYGLRKQDSORM-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C[C@H]1C ZINC000947726209 656615095 /nfs/dbraw/zinc/61/50/95/656615095.db2.gz KPILLIVJJRIHHD-UKRRQHHQSA-N 0 3 301.434 3.051 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC001040951833 656616202 /nfs/dbraw/zinc/61/62/02/656616202.db2.gz KEPULUCCMCERQP-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049418460 656617984 /nfs/dbraw/zinc/61/79/84/656617984.db2.gz JILZYCIKXLPERL-CVEARBPZSA-N 0 3 306.425 3.425 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(C)o1 ZINC001049429939 656619345 /nfs/dbraw/zinc/61/93/45/656619345.db2.gz ZINUMLQDCGPRTQ-JKSUJKDBSA-N 0 3 302.418 3.151 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001028029658 656622530 /nfs/dbraw/zinc/62/25/30/656622530.db2.gz 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/nfs/dbraw/zinc/64/50/08/656645008.db2.gz DMEKVSIFMDLMKD-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622407 656651376 /nfs/dbraw/zinc/65/13/76/656651376.db2.gz URCLJYCBKBEXPT-CVEARBPZSA-N 0 3 317.433 3.053 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCc1cccc(C)c1 ZINC001049627110 656651737 /nfs/dbraw/zinc/65/17/37/656651737.db2.gz PQZKXXNPDJCUAE-UXHICEINSA-N 0 3 324.468 3.016 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001049623941 656651902 /nfs/dbraw/zinc/65/19/02/656651902.db2.gz CHPWJNPBEOJJKJ-RBUKOAKNSA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1cc2ccccc2o1 ZINC001049629462 656653315 /nfs/dbraw/zinc/65/33/15/656653315.db2.gz KJOMABKKQCXDOF-ROUUACIJSA-N 0 3 324.424 3.227 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)cc(F)cc1C ZINC001049636013 656654268 /nfs/dbraw/zinc/65/42/68/656654268.db2.gz XVTLPTNBDUGELN-DLBZAZTESA-N 0 3 316.420 3.307 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1C(C)C ZINC001049661209 656659424 /nfs/dbraw/zinc/65/94/24/656659424.db2.gz RSRGVOWEQDPCTK-JKSUJKDBSA-N 0 3 301.434 3.003 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C(F)F)CCCC1 ZINC001049668046 656661907 /nfs/dbraw/zinc/66/19/07/656661907.db2.gz KROQEIGBFZTSMS-KBPBESRZSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(Cl)c1F ZINC001049690325 656665692 /nfs/dbraw/zinc/66/56/92/656665692.db2.gz GOEZJLMPISQWQY-LSDHHAIUSA-N 0 3 322.811 3.344 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001028073624 656666398 /nfs/dbraw/zinc/66/63/98/656666398.db2.gz SXYUXKAAMBNBHJ-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](C)C3CCCCC3)C2)C1 ZINC001041737183 656671955 /nfs/dbraw/zinc/67/19/55/656671955.db2.gz FRBAULAYRKGFGY-PXNSSMCTSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cccc(C(C)C)c3)C2)C1 ZINC001041773369 656673612 /nfs/dbraw/zinc/67/36/12/656673612.db2.gz YRMKKMRPKMOHMY-NRFANRHFSA-N 0 3 324.468 3.371 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCCCCC1 ZINC001049750802 656679404 /nfs/dbraw/zinc/67/94/04/656679404.db2.gz NZQCNBRHUAQWRR-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC1CCCC1 ZINC001049767906 656684053 /nfs/dbraw/zinc/68/40/53/656684053.db2.gz IMCXPTSWRCFRCJ-RYQLBKOJSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3sccc3C(C)C)C2)C1 ZINC001041843812 656684810 /nfs/dbraw/zinc/68/48/10/656684810.db2.gz WPLBULXCTSPKJD-GOSISDBHSA-N 0 3 316.470 3.043 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3sccc3C(C)C)C2)C1 ZINC001041843813 656684901 /nfs/dbraw/zinc/68/49/01/656684901.db2.gz WPLBULXCTSPKJD-SFHVURJKSA-N 0 3 316.470 3.043 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001049784005 656686192 /nfs/dbraw/zinc/68/61/92/656686192.db2.gz VZLPMHZLTVIJNN-YRPNKDGESA-N 0 3 324.468 3.350 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cccc(C4CC4)c3)C2)C1 ZINC001041848981 656686942 /nfs/dbraw/zinc/68/69/42/656686942.db2.gz QHYDUQOCZPZNDN-NRFANRHFSA-N 0 3 322.452 3.125 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2cccnc2c1 ZINC001049800041 656688510 /nfs/dbraw/zinc/68/85/10/656688510.db2.gz AMQLCJNPLRYEPQ-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1coc2ccccc12 ZINC001049812496 656690781 /nfs/dbraw/zinc/69/07/81/656690781.db2.gz VZCDOFKNCKRXMW-ROUUACIJSA-N 0 3 324.424 3.227 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049837073 656695871 /nfs/dbraw/zinc/69/58/71/656695871.db2.gz ZHUVDCYPSCHFJP-HUUCEWRRSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2ccsc2COC)CC1 ZINC000981449945 656696477 /nfs/dbraw/zinc/69/64/77/656696477.db2.gz AOOMXAJWQVLFGA-UHFFFAOYSA-N 0 3 322.474 3.009 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CC(C)C)c[nH]1 ZINC001049847162 656697468 /nfs/dbraw/zinc/69/74/68/656697468.db2.gz SBEGSFDSPACZAU-QZTJIDSGSA-N 0 3 315.461 3.078 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1oc(CC)cc1C ZINC001049850589 656697938 /nfs/dbraw/zinc/69/79/38/656697938.db2.gz SKPDAQMUORWBQS-CVEARBPZSA-N 0 3 302.418 3.015 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccc(C)cc1 ZINC001049855500 656700429 /nfs/dbraw/zinc/70/04/29/656700429.db2.gz RSZYYYYGUPTVTC-BHIYHBOVSA-N 0 3 312.457 3.350 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(Cl)c1 ZINC001049857591 656701616 /nfs/dbraw/zinc/70/16/16/656701616.db2.gz LNXXIBGQYUOUKQ-CVEARBPZSA-N 0 3 304.821 3.205 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2ccccc2n1 ZINC001049860612 656702544 /nfs/dbraw/zinc/70/25/44/656702544.db2.gz BSSPVXPIGDEWFK-RTBURBONSA-N 0 3 321.424 3.100 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(F)cccc1F ZINC001049864164 656704638 /nfs/dbraw/zinc/70/46/38/656704638.db2.gz QRZWREVNXKESSC-JKSUJKDBSA-N 0 3 320.383 3.220 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CCCCC1 ZINC001049870694 656706391 /nfs/dbraw/zinc/70/63/91/656706391.db2.gz CCXQZXQIFOZROT-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1sc(C)cc1C ZINC001049872972 656707287 /nfs/dbraw/zinc/70/72/87/656707287.db2.gz ATVVLFQPGSARFU-HOTGVXAUSA-N 0 3 318.486 3.159 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)c1ccccc1 ZINC001049875380 656709302 /nfs/dbraw/zinc/70/93/02/656709302.db2.gz FCCOSWJAVZDYHG-DFQSSKMNSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001042006872 656711401 /nfs/dbraw/zinc/71/14/01/656711401.db2.gz MPIQXLGQVOADTH-JKSUJKDBSA-N 0 3 302.418 3.009 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@H]21 ZINC001042018937 656713480 /nfs/dbraw/zinc/71/34/80/656713480.db2.gz OWUUGNKASWONHV-JKSUJKDBSA-N 0 3 302.418 3.009 20 30 DGEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C)s1 ZINC001049885842 656713956 /nfs/dbraw/zinc/71/39/56/656713956.db2.gz POIICGRZUCNPNM-CVEARBPZSA-N 0 3 316.470 3.067 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C)s1 ZINC001049885844 656714243 /nfs/dbraw/zinc/71/42/43/656714243.db2.gz POIICGRZUCNPNM-HZPDHXFCSA-N 0 3 316.470 3.067 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3c(C)coc3C)C[C@H]21 ZINC001042040442 656715941 /nfs/dbraw/zinc/71/59/41/656715941.db2.gz KRKRKPREZTVFRO-JKSUJKDBSA-N 0 3 302.418 3.009 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc2cnccc21 ZINC001049902400 656717635 /nfs/dbraw/zinc/71/76/35/656717635.db2.gz SXBORNCQRQMBDQ-RBUKOAKNSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(C)CC=C(C)CC1 ZINC001049910192 656719216 /nfs/dbraw/zinc/71/92/16/656719216.db2.gz UEZVBXVNJODBDP-YQVWRLOYSA-N 0 3 302.462 3.374 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@@H]21 ZINC001042098443 656721971 /nfs/dbraw/zinc/72/19/71/656721971.db2.gz QPAKKLSTKRNZEY-WMZOPIPTSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C2CC2)c1 ZINC001049916670 656722049 /nfs/dbraw/zinc/72/20/49/656722049.db2.gz ISNIFTFAWUFBBY-UXHICEINSA-N 0 3 322.452 3.266 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCC(C)CC1 ZINC001049922271 656723749 /nfs/dbraw/zinc/72/37/49/656723749.db2.gz GHVWOODYWKABBU-VZDIDWBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC2CCC1CC2 ZINC001049922852 656724968 /nfs/dbraw/zinc/72/49/68/656724968.db2.gz SQQCHJVRZGUSNL-NUUXYWTLSA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3c(C)oc(C)c3C)C[C@@H]21 ZINC001042142837 656726311 /nfs/dbraw/zinc/72/63/11/656726311.db2.gz ROKBHDUMSUBGNE-SJORKVTESA-N 0 3 316.445 3.317 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CCCCCCC3)C[C@H]21 ZINC001042149826 656727072 /nfs/dbraw/zinc/72/70/72/656727072.db2.gz RPHJDUMZZAIDNG-FUHWJXTLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc2ccccc12 ZINC001049937924 656728486 /nfs/dbraw/zinc/72/84/86/656728486.db2.gz XLWKPVJLWPKXIA-IRXDYDNUSA-N 0 3 310.397 3.298 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001042183989 656731966 /nfs/dbraw/zinc/73/19/66/656731966.db2.gz SDWOURBKNUROJL-HOTGVXAUSA-N 0 3 318.486 3.383 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028106290 656735895 /nfs/dbraw/zinc/73/58/95/656735895.db2.gz WQNRFILVKMUNBL-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@@H]21 ZINC001042205665 656736117 /nfs/dbraw/zinc/73/61/17/656736117.db2.gz DRVHFHUWPSYVJM-ICSRJNTNSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(Cl)cc3C)C[C@H]21 ZINC001042213428 656738097 /nfs/dbraw/zinc/73/80/97/656738097.db2.gz KDZIIFYDDRMFNY-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@H]21 ZINC001042216528 656738176 /nfs/dbraw/zinc/73/81/76/656738176.db2.gz PRKPKDBJSRIQEZ-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3Cl)C[C@H]21 ZINC001042246074 656744074 /nfs/dbraw/zinc/74/40/74/656744074.db2.gz VAAUFAFRXAFEGY-MLGOLLRUSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(F)cccc3Cl)C[C@@H]21 ZINC001042329393 656754949 /nfs/dbraw/zinc/75/49/49/656754949.db2.gz ZKWQNEBXYXZTGA-DOMZBBRYSA-N 0 3 322.811 3.202 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(F)c3ccccc23)CC1 ZINC001052737071 656755537 /nfs/dbraw/zinc/75/55/37/656755537.db2.gz DVQNHDBWOPJDIC-HNNXBMFYSA-N 0 3 324.399 3.196 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981740787 656756842 /nfs/dbraw/zinc/75/68/42/656756842.db2.gz CQHZFWHZTGTWCZ-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC001052767886 656765147 /nfs/dbraw/zinc/76/51/47/656765147.db2.gz ZMWZGAKDAAUSLB-BXWFABGCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(CCC)s3)C2)C1 ZINC000981794344 656771866 /nfs/dbraw/zinc/77/18/66/656771866.db2.gz OTXJPJQUMIGELH-UHFFFAOYSA-N 0 3 318.486 3.425 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)CC1 ZINC001052886602 656783145 /nfs/dbraw/zinc/78/31/45/656783145.db2.gz PHVNGJRPLHWHQM-IBGZPJMESA-N 0 3 306.409 3.057 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc3ccccc32)CC1 ZINC001052907388 656787950 /nfs/dbraw/zinc/78/79/50/656787950.db2.gz PNJPKRKNJWMIAZ-GOSISDBHSA-N 0 3 320.436 3.447 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001052923966 656791674 /nfs/dbraw/zinc/79/16/74/656791674.db2.gz QXGAPCIGNPKONS-LJQANCHMSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC001052959045 656798359 /nfs/dbraw/zinc/79/83/59/656798359.db2.gz RDMYNEIBKJJRSF-LJQANCHMSA-N 0 3 324.468 3.021 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001052965563 656799988 /nfs/dbraw/zinc/79/99/88/656799988.db2.gz OWGVJTICLLNURW-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C2CC(c3ccccc3)C2)CC1 ZINC001052969860 656802605 /nfs/dbraw/zinc/80/26/05/656802605.db2.gz WBXAZMOWKCMUAO-SOAGJPPSSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(CC)c(CC)c2)CC1 ZINC001052982206 656806515 /nfs/dbraw/zinc/80/65/15/656806515.db2.gz VGUVBLOQHBMVHM-LJQANCHMSA-N 0 3 312.457 3.029 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000981956071 656826922 /nfs/dbraw/zinc/82/69/22/656826922.db2.gz SNGWWHOUOGKFMU-UHFFFAOYSA-N 0 3 315.461 3.101 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001028174407 656833637 /nfs/dbraw/zinc/83/36/37/656833637.db2.gz RXNRZMWLDNWWKG-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001028174406 656833738 /nfs/dbraw/zinc/83/37/38/656833738.db2.gz RXNRZMWLDNWWKG-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccsc2)C1 ZINC001053064182 656838710 /nfs/dbraw/zinc/83/87/10/656838710.db2.gz VDLPFMOCXYSRPX-WBVHZDCISA-N 0 3 316.470 3.088 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001028186626 656846885 /nfs/dbraw/zinc/84/68/85/656846885.db2.gz PPOYZJYJJJAQGN-WUJZJPHMSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC(C)(C)C2)C1 ZINC001053087621 656850293 /nfs/dbraw/zinc/85/02/93/656850293.db2.gz VEUKDZLEIPEJTO-AEFFLSMTSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2sc(C)cc2OC)CC1 ZINC000982084049 656885198 /nfs/dbraw/zinc/88/51/98/656885198.db2.gz IUGSCXJZLSDBNU-UHFFFAOYSA-N 0 3 322.474 3.179 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001054038913 656890992 /nfs/dbraw/zinc/89/09/92/656890992.db2.gz OHPOWKCGSHWGRA-ROUUACIJSA-N 0 3 312.457 3.152 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000982192290 656913024 /nfs/dbraw/zinc/91/30/24/656913024.db2.gz VQXKRDJDGKXUOL-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H]1C=CCCC1)C2 ZINC001054152705 656920469 /nfs/dbraw/zinc/92/04/69/656920469.db2.gz GLTHOQZVYBVOFL-ICSRJNTNSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000982226916 656921057 /nfs/dbraw/zinc/92/10/57/656921057.db2.gz DJMPYCXSIHFWSA-ROUUACIJSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C2 ZINC001054163309 656922858 /nfs/dbraw/zinc/92/28/58/656922858.db2.gz FSYBYTHTQANFES-HLIPFELVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028235851 656932771 /nfs/dbraw/zinc/93/27/71/656932771.db2.gz FOBKRJSXDUDUDH-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@]3(CCN(C/C=C/Cl)C3)C2)C1 ZINC001054193062 656933320 /nfs/dbraw/zinc/93/33/20/656933320.db2.gz OLZAUEYZMCCZJZ-WEBJUUICSA-N 0 3 322.880 3.410 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001054192787 656933569 /nfs/dbraw/zinc/93/35/69/656933569.db2.gz JJPWVUYCYGHZEN-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1CC(C)C)C2 ZINC001054200657 656934911 /nfs/dbraw/zinc/93/49/11/656934911.db2.gz GGWWRODGMMIGJO-QWFCFKBJSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001028247909 656940241 /nfs/dbraw/zinc/94/02/41/656940241.db2.gz 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ZINC001045453648 657025028 /nfs/dbraw/zinc/02/50/28/657025028.db2.gz QFZDLKDSJMBTQP-UHFFFAOYSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001054975355 657026991 /nfs/dbraw/zinc/02/69/91/657026991.db2.gz CTMUTZGNJFTFCD-RHSMWYFYSA-N 0 3 318.436 3.283 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2Cl)C1 ZINC001054977016 657027316 /nfs/dbraw/zinc/02/73/16/657027316.db2.gz SFKGXUVFDJBCSO-CJNGLKHVSA-N 0 3 320.864 3.489 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC001054977470 657027363 /nfs/dbraw/zinc/02/73/63/657027363.db2.gz YEJCLVCNEWIJMY-LRDDRELGSA-N 0 3 322.399 3.114 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001045535505 657033904 /nfs/dbraw/zinc/03/39/04/657033904.db2.gz YNNMKAXFHPAQBB-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(OC)cc2Cl)CC1 ZINC001045590700 657040712 /nfs/dbraw/zinc/04/07/12/657040712.db2.gz PNVBLKHJPYKHPX-UHFFFAOYSA-N 0 3 322.836 3.119 20 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C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)C(C)(C)C)C2 ZINC001045956470 657104116 /nfs/dbraw/zinc/10/41/16/657104116.db2.gz JABRERRIEASMCX-HXUWFJFHSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc3cscc3s2)C1 ZINC001028694203 657146093 /nfs/dbraw/zinc/14/60/93/657146093.db2.gz IXGNYHBFSJXTPY-LBPRGKRZSA-N 0 3 318.467 3.038 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cccc3c2CCCC3)CC1 ZINC001000731411 657147869 /nfs/dbraw/zinc/14/78/69/657147869.db2.gz VBAQBRZRIXQACV-UHFFFAOYSA-N 0 3 310.441 3.113 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001046346204 657150350 /nfs/dbraw/zinc/15/03/50/657150350.db2.gz WVBZOCIFKLNIAY-HXUWFJFHSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccnn2C(CC)CC)C1 ZINC001046373516 657153980 /nfs/dbraw/zinc/15/39/80/657153980.db2.gz AMLCXAHKRMNBNF-SFHVURJKSA-N 0 3 318.465 3.015 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)c2cccc3c2CCCCC3)C1 ZINC001046403375 657157546 /nfs/dbraw/zinc/15/75/46/657157546.db2.gz PLNQQIZEVGSYBY-FQEVSTJZSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001046420156 657159753 /nfs/dbraw/zinc/15/97/53/657159753.db2.gz CPDIYPLRTIHIOL-GGPKGHCWSA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001028732493 657161164 /nfs/dbraw/zinc/16/11/64/657161164.db2.gz HXJAYPNQMLYHRZ-HNNXBMFYSA-N 0 3 318.848 3.032 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc(-c3ccco3)o2)CC1 ZINC001000940622 657166868 /nfs/dbraw/zinc/16/68/68/657166868.db2.gz NMXBGVXOGBVQCX-UHFFFAOYSA-N 0 3 312.369 3.088 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001046533798 657173832 /nfs/dbraw/zinc/17/38/32/657173832.db2.gz XABRXANMDUTEBR-SFHVURJKSA-N 0 3 318.848 3.174 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cncc3sccc32)C1 ZINC001046570625 657180424 /nfs/dbraw/zinc/18/04/24/657180424.db2.gz FRDSEODOEHJLHT-QGZVFWFLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046632617 657190267 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ZINC001001475836 657224309 /nfs/dbraw/zinc/22/43/09/657224309.db2.gz KNOAKAGPYBSOIU-HXUWFJFHSA-N 0 3 324.468 3.431 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C23CC(c4ccccc4)(C2)C3)CC1 ZINC001001481336 657225499 /nfs/dbraw/zinc/22/54/99/657225499.db2.gz OGTFGPHUPWMSQE-UHFFFAOYSA-N 0 3 322.452 3.043 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2coc3c2cccc3C)CC1 ZINC001001488128 657227295 /nfs/dbraw/zinc/22/72/95/657227295.db2.gz GZGKCNLTLYLXGV-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001046827005 657232018 /nfs/dbraw/zinc/23/20/18/657232018.db2.gz JFAQVBQMPUTDHA-QGZVFWFLSA-N 0 3 322.836 3.119 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001001561037 657232402 /nfs/dbraw/zinc/23/24/02/657232402.db2.gz IRGQPYGMKKSOGT-ZWKOTPCHSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001050011373 657235721 /nfs/dbraw/zinc/23/57/21/657235721.db2.gz GUKRHPBWTAURSW-JKSUJKDBSA-N 0 3 302.418 3.009 20 30 DGEDHN 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ZINC000992457655 659553380 /nfs/dbraw/zinc/55/33/80/659553380.db2.gz VDSSQYSYSZEGKO-IEBWSBKVSA-N 0 3 310.397 3.346 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)c3ccccc3C)CCC[C@@H]12 ZINC000992512113 659567669 /nfs/dbraw/zinc/56/76/69/659567669.db2.gz NVEFDSIYPNAEKV-YFVAEKQCSA-N 0 3 324.468 3.235 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3coc4ccccc34)CCC[C@@H]12 ZINC000992522665 659570020 /nfs/dbraw/zinc/57/00/20/659570020.db2.gz OMFLAGOYFGRYLY-IEBWSBKVSA-N 0 3 310.397 3.346 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3c2CCCC3)[C@H]1C ZINC000993368208 659722454 /nfs/dbraw/zinc/72/24/54/659722454.db2.gz PMRFQIIHEUZILI-UZLBHIALSA-N 0 3 324.468 3.171 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2cscc2Cl)[C@@H]1C ZINC000993454570 659748119 /nfs/dbraw/zinc/74/81/19/659748119.db2.gz ALXYBAXXNNJDNQ-SMDDNHRTSA-N 0 3 310.850 3.008 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@@H]1C ZINC000993580182 659760037 /nfs/dbraw/zinc/76/00/37/659760037.db2.gz AQZDWQRCJGLWIN-BBRMVZONSA-N 0 3 304.434 3.364 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccnc2C(F)F)[C@@H]1C ZINC000993582714 659760209 /nfs/dbraw/zinc/76/02/09/659760209.db2.gz GMKPKLZJELXFJG-JSGCOSHPSA-N 0 3 323.387 3.178 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC000993555184 659762120 /nfs/dbraw/zinc/76/21/20/659762120.db2.gz JMUJCKUKHDWWAX-HIFRSBDPSA-N 0 3 306.475 3.469 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)cc(C)nc2C)[C@@H]1C ZINC000993615754 659766161 /nfs/dbraw/zinc/76/61/61/659766161.db2.gz WHNCGNDMKGRBKR-DLBZAZTESA-N 0 3 315.461 3.166 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1C ZINC000993662436 659777140 /nfs/dbraw/zinc/77/71/40/659777140.db2.gz PGQYCKSSAYNCPZ-RDJZCZTQSA-N 0 3 323.440 3.082 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2occc2C(C)C)[C@H]1C ZINC000993744418 659784455 /nfs/dbraw/zinc/78/44/55/659784455.db2.gz OIBFWRDETJCGOJ-ZBFHGGJFSA-N 0 3 302.418 3.009 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC000993731020 659785953 /nfs/dbraw/zinc/78/59/53/659785953.db2.gz 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C=C(C)CN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1C ZINC000994351658 659843152 /nfs/dbraw/zinc/84/31/52/659843152.db2.gz QENIIRWOMMEKLV-FUHWJXTLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC000994351666 659843167 /nfs/dbraw/zinc/84/31/67/659843167.db2.gz QENIIRWOMMEKLV-SJLPKXTDSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H]1C ZINC000994379459 659849489 /nfs/dbraw/zinc/84/94/89/659849489.db2.gz QGGPWCFGHROIPR-ROUUACIJSA-N 0 3 312.457 3.218 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H]1C ZINC000994444090 659854695 /nfs/dbraw/zinc/85/46/95/659854695.db2.gz SINBNXGMLIMHSA-DZGCQCFKSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC000994447613 659855993 /nfs/dbraw/zinc/85/59/93/659855993.db2.gz ARONPLVOOPDUSF-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC000994497634 659862781 /nfs/dbraw/zinc/86/27/81/659862781.db2.gz 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YZFPEGDCHZKHBL-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2C2(C)CC2)[C@@H](C)C1 ZINC000942722898 660168799 /nfs/dbraw/zinc/16/87/99/660168799.db2.gz PQQFXPPPFBCNSV-QFBILLFUSA-N 0 3 324.468 3.202 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2C2(C)CC2)[C@H](C)C1 ZINC000942722899 660168838 /nfs/dbraw/zinc/16/88/38/660168838.db2.gz PQQFXPPPFBCNSV-VQIMIIECSA-N 0 3 324.468 3.202 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3occc3s2)[C@H](C)C1 ZINC000942824809 660170485 /nfs/dbraw/zinc/17/04/85/660170485.db2.gz ZQAQYACYRXFWPQ-NEPJUHHUSA-N 0 3 304.415 3.121 20 30 DGEDHN CN(CC1CCC(C#N)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000929977222 661355283 /nfs/dbraw/zinc/35/52/83/661355283.db2.gz NGVGYHXBKNUCJP-LEOMRAHMSA-N 0 3 311.429 3.054 20 30 DGEDHN COc1ccccc1-c1ccc([C@H](C)NC[C@H](O)CC#N)cc1 ZINC000930225866 661379890 /nfs/dbraw/zinc/37/98/90/661379890.db2.gz MFUZAQZTMQQIHN-WMLDXEAASA-N 0 3 310.397 3.287 20 30 DGEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCCC1(C#N)CCC1 ZINC000930253072 661382156 /nfs/dbraw/zinc/38/21/56/661382156.db2.gz KJZVVCMBBIPZSR-XHSDSOJGSA-N 0 3 304.434 3.124 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC(C#N)CC1 ZINC000931463517 661479114 /nfs/dbraw/zinc/47/91/14/661479114.db2.gz DUJHFFCXJKHHNO-CKUJCDMFSA-N 0 3 319.449 3.010 20 30 DGEDHN Cc1nc([C@@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)no1 ZINC000931943620 661524667 /nfs/dbraw/zinc/52/46/67/661524667.db2.gz FABGJPYLSCGCHZ-OAHLLOKOSA-N 0 3 310.401 3.169 20 30 DGEDHN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000932556324 661578613 /nfs/dbraw/zinc/57/86/13/661578613.db2.gz LFZJBWLCFZRMRW-HBUWYVDXSA-N 0 3 319.424 3.228 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(F)F)cc2)CC1 ZINC000933109428 661618097 /nfs/dbraw/zinc/61/80/97/661618097.db2.gz NCIREPLJYDMWOE-UHFFFAOYSA-N 0 3 309.360 3.396 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2nc3ccccc3s2)CCC1 ZINC000933297962 661628491 /nfs/dbraw/zinc/62/84/91/661628491.db2.gz VRZMITZJHRHOCN-LBPRGKRZSA-N 0 3 313.426 3.159 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2nc3ccccc3s2)CCC1 ZINC000933297961 661628517 /nfs/dbraw/zinc/62/85/17/661628517.db2.gz VRZMITZJHRHOCN-GFCCVEGCSA-N 0 3 313.426 3.159 20 30 DGEDHN C#CCN(C[C@H]1CC2(CC2)C(=O)O1)[C@H]1CCCc2ccccc21 ZINC000933417589 661633085 /nfs/dbraw/zinc/63/30/85/661633085.db2.gz GFKFHKDMFMVTIY-AEFFLSMTSA-N 0 3 309.409 3.095 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN(Cc2ccoc2)C2CC2)cc1 ZINC000934003823 661672760 /nfs/dbraw/zinc/67/27/60/661672760.db2.gz LNRUIBQCGWSDKJ-UHFFFAOYSA-N 0 3 308.381 3.254 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)ccc1C ZINC000934169477 661683947 /nfs/dbraw/zinc/68/39/47/661683947.db2.gz QKEZQSMDQAMUDP-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000934648304 661722264 /nfs/dbraw/zinc/72/22/64/661722264.db2.gz NUMLNLRTYQYUOZ-CQSZACIVSA-N 0 3 317.433 3.260 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(C#N)CCSCC2)c1 ZINC000935112487 661761205 /nfs/dbraw/zinc/76/12/05/661761205.db2.gz ZBYDBGRNOMBEEO-UHFFFAOYSA-N 0 3 317.458 3.032 20 30 DGEDHN N#CC(C(=O)CCc1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000041492644 661834619 /nfs/dbraw/zinc/83/46/19/661834619.db2.gz KGBKTOHEWDTFIG-QGZVFWFLSA-N 0 3 316.364 3.076 20 30 DGEDHN CCCN(CCNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000159301658 661885156 /nfs/dbraw/zinc/88/51/56/661885156.db2.gz GMDGWNHJRRJDQC-UHFFFAOYSA-N 0 3 323.462 3.356 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C[C@@H]1C ZINC000947411307 661907448 /nfs/dbraw/zinc/90/74/48/661907448.db2.gz GDZOWGXZAOJKHC-WNHJNPCNSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2C(C)(C)C)C[C@@H]1C ZINC000947429709 661907951 /nfs/dbraw/zinc/90/79/51/661907951.db2.gz KTOKAMCGYOIMMV-HOTGVXAUSA-N 0 3 312.457 3.200 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c3ccccc3n2)C[C@H]1C ZINC000947455100 661909677 /nfs/dbraw/zinc/90/96/77/661909677.db2.gz QYXRHAGIZXEQMN-HZPDHXFCSA-N 0 3 323.440 3.312 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C[C@@H]1C ZINC000947586035 661918741 /nfs/dbraw/zinc/91/87/41/661918741.db2.gz UJSKXFUUACRUNP-RDJZCZTQSA-N 0 3 323.440 3.082 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000947670161 661923236 /nfs/dbraw/zinc/92/32/36/661923236.db2.gz BURBINKEESCBAT-GXTWGEPZSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000947745067 661928669 /nfs/dbraw/zinc/92/86/69/661928669.db2.gz BVORNSPGTTVCGY-BLLLJJGKSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC2CCCCCC2)C[C@H]1C ZINC000947749934 661929187 /nfs/dbraw/zinc/92/91/87/661929187.db2.gz KVJXOSYQDXPDSM-AEFFLSMTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)C[C@H]1C ZINC000947926510 661938290 /nfs/dbraw/zinc/93/82/90/661938290.db2.gz ZHSLWBXAUBILKZ-WBVHZDCISA-N 0 3 311.429 3.016 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CCC2)C[C@H]1C ZINC000947975682 661941414 /nfs/dbraw/zinc/94/14/14/661941414.db2.gz PRFZIJBFMFDGPZ-MSOLQXFVSA-N 0 3 324.468 3.019 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C2CCC2)C[C@@H]1C ZINC000947986365 661942154 /nfs/dbraw/zinc/94/21/54/661942154.db2.gz UWJZLFKHWYLMBN-DOTOQJQBSA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3ccccc32)C[C@@H]1C ZINC000947989638 661942363 /nfs/dbraw/zinc/94/23/63/661942363.db2.gz LCWRFEYMBXRZTQ-DOTOQJQBSA-N 0 3 306.409 3.056 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)C[C@H]1C ZINC000947999129 661943595 /nfs/dbraw/zinc/94/35/95/661943595.db2.gz VJRYOIDCTLFJDA-CVEARBPZSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2C2CC2)C[C@H]1C ZINC000948003444 661943902 /nfs/dbraw/zinc/94/39/02/661943902.db2.gz ZVEUAKORWREHLM-TZMCWYRMSA-N 0 3 304.459 3.394 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)C[C@H]1C ZINC000948006134 661944041 /nfs/dbraw/zinc/94/40/41/661944041.db2.gz FIJYUCCHBOBHFZ-CABCVRRESA-N 0 3 318.486 3.225 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C[C@H]1C ZINC000948052005 661946238 /nfs/dbraw/zinc/94/62/38/661946238.db2.gz AYRGGFDNRXTVGQ-NVXWUHKLSA-N 0 3 316.420 3.049 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2CC(C)C)C[C@H]1C ZINC000948083745 661949623 /nfs/dbraw/zinc/94/96/23/661949623.db2.gz YOZRKMLHGQVNHF-SJLPKXTDSA-N 0 3 312.457 3.101 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2CC(C)C)C[C@H]1C ZINC000948083741 661949770 /nfs/dbraw/zinc/94/97/70/661949770.db2.gz YOZRKMLHGQVNHF-AEFFLSMTSA-N 0 3 312.457 3.101 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2CC(C)C)C[C@@H]1C ZINC000948083743 661949910 /nfs/dbraw/zinc/94/99/10/661949910.db2.gz YOZRKMLHGQVNHF-FUHWJXTLSA-N 0 3 312.457 3.101 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@H]1C ZINC000948094948 661950829 /nfs/dbraw/zinc/95/08/29/661950829.db2.gz RERLSSQKJXYKHC-HUUCEWRRSA-N 0 3 310.397 3.039 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3=CCCC3)cc2)C[C@@H]1C ZINC000948103736 661951370 /nfs/dbraw/zinc/95/13/70/661951370.db2.gz HFSPCLRMMIEZRZ-JXFKEZNVSA-N 0 3 322.452 3.470 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C2CCCCCC2)CC1 ZINC000948231663 661961273 /nfs/dbraw/zinc/96/12/73/661961273.db2.gz HAXDRKKLOKDXGQ-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cscc2C)CC1 ZINC000948277652 661964966 /nfs/dbraw/zinc/96/49/66/661964966.db2.gz KLPFUNBKPVCSGY-OAHLLOKOSA-N 0 3 304.459 3.006 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000948473761 661977671 /nfs/dbraw/zinc/97/76/71/661977671.db2.gz KTZFMAFMHWJOSH-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000948547063 661982101 /nfs/dbraw/zinc/98/21/01/661982101.db2.gz PUCXUJLVNAJFBG-ICSRJNTNSA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cccc3[nH]ccc32)CC1 ZINC000948800603 661998711 /nfs/dbraw/zinc/99/87/11/661998711.db2.gz VIGUJNWZKRGGAI-INIZCTEOSA-N 0 3 323.440 3.118 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1C ZINC000948902849 662006736 /nfs/dbraw/zinc/00/67/36/662006736.db2.gz VWESBEDYXCMBON-LJQANCHMSA-N 0 3 323.440 3.228 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2Cc3c2cccc3Cl)CC1 ZINC001006464657 662093741 /nfs/dbraw/zinc/09/37/41/662093741.db2.gz UZHJPUXDJOYWSS-INIZCTEOSA-N 0 3 318.848 3.089 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000193368564 662132009 /nfs/dbraw/zinc/13/20/09/662132009.db2.gz VGDQYINWKHXFLD-GFCCVEGCSA-N 0 3 324.783 3.037 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc2ccccc2c1 ZINC000193378169 662132347 /nfs/dbraw/zinc/13/23/47/662132347.db2.gz IYORGCSMPDDIMW-KRWDZBQOSA-N 0 3 308.381 3.006 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000246260542 662251984 /nfs/dbraw/zinc/25/19/84/662251984.db2.gz OAAPFDHMZCCSCJ-OKZBNKHCSA-N 0 3 320.392 3.177 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc(OC)c1O ZINC000092504461 662332496 /nfs/dbraw/zinc/33/24/96/662332496.db2.gz QDWMYIBKCLEUJH-UHFFFAOYSA-N 0 3 308.381 3.461 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3cccc(F)c3o2)C1 ZINC001023758312 685373678 /nfs/dbraw/zinc/37/36/78/685373678.db2.gz VBVHQRXGXNQWSI-ZDUSSCGKSA-N 0 3 316.376 3.200 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000142722017 685081506 /nfs/dbraw/zinc/08/15/06/685081506.db2.gz NCDBACJNBPEHGL-AWEZNQCLSA-N 0 3 321.380 3.366 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2F)CC[C@H]1C ZINC001071528245 686680442 /nfs/dbraw/zinc/68/04/42/686680442.db2.gz QXYOXJLQOKCKPF-HUUCEWRRSA-N 0 3 304.409 3.293 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2coc3c2cccc3C)CC[C@@H]1C ZINC001071572526 686692313 /nfs/dbraw/zinc/69/23/13/686692313.db2.gz XARYUGGCQDRTDO-JKSUJKDBSA-N 0 3 324.424 3.347 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3cccnc32)CC[C@@H]1C ZINC001071647027 686711794 /nfs/dbraw/zinc/71/17/94/686711794.db2.gz DFNMERIFZSLULH-DOTOQJQBSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccnc2C2CC2)CC[C@@H]1C ZINC001071649745 686712405 /nfs/dbraw/zinc/71/24/05/686712405.db2.gz ZQAMZEBBYFHIEW-HOCLYGCPSA-N 0 3 313.445 3.118 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]c3ccccc23)CC[C@@H]1C ZINC001071656162 686714068 /nfs/dbraw/zinc/71/40/68/686714068.db2.gz UONYQOBJPXJTJC-GJZGRUSLSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)cc2)CC[C@@H]1C ZINC001071662594 686715573 /nfs/dbraw/zinc/71/55/73/686715573.db2.gz DEAQRQHPZJGEFJ-WMZOPIPTSA-N 0 3 300.446 3.083 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(Cl)ccc2F)CC[C@H]1C ZINC001071662082 686715585 /nfs/dbraw/zinc/71/55/85/686715585.db2.gz AHJBCHCUJVDEKG-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)CC[C@H]1C ZINC001071697846 686725989 /nfs/dbraw/zinc/72/59/89/686725989.db2.gz GRCQZMRTKWFRFD-WBVHZDCISA-N 0 3 315.461 3.166 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)CC[C@H]1C ZINC001071732300 686736064 /nfs/dbraw/zinc/73/60/64/686736064.db2.gz RRBMNXIENMYIFQ-NVXWUHKLSA-N 0 3 323.440 3.082 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(CC=C(C)C)C2)cc1 ZINC001071732407 686736386 /nfs/dbraw/zinc/73/63/86/686736386.db2.gz UNCMWARFBIMFFS-APWZRJJASA-N 0 3 310.441 3.217 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@H]1C ZINC001071783220 686752272 /nfs/dbraw/zinc/75/22/72/686752272.db2.gz LRDXGQQODJBAQS-RHSMWYFYSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@@H]1C ZINC001071783221 686752674 /nfs/dbraw/zinc/75/26/74/686752674.db2.gz LRDXGQQODJBAQS-WMLDXEAASA-N 0 3 311.429 3.327 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)cc2C)CC[C@@H]1C ZINC001071789753 686754586 /nfs/dbraw/zinc/75/45/86/686754586.db2.gz XWKKDECNBVZWLE-HOCLYGCPSA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2ccccc2-n2cccc2)CC[C@@H]1C ZINC001071792377 686755456 /nfs/dbraw/zinc/75/54/56/686755456.db2.gz IHCIPWVSCJWDOR-IRXDYDNUSA-N 0 3 323.440 3.246 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(OCC)c2)CC[C@H]1C ZINC001071854988 686772116 /nfs/dbraw/zinc/77/21/16/686772116.db2.gz JDDGWFKWHJYPFF-NVXWUHKLSA-N 0 3 316.445 3.244 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)C=CCC3)CC[C@H]1C ZINC001071883369 686780646 /nfs/dbraw/zinc/78/06/46/686780646.db2.gz KCIHYWGXQAZDEI-OXQOHEQNSA-N 0 3 322.452 3.252 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C(F)F)cc2)CC[C@@H]1C ZINC001071889786 686784141 /nfs/dbraw/zinc/78/41/41/686784141.db2.gz CCQFGQYGEQJJBR-BBRMVZONSA-N 0 3 320.383 3.230 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3ccncc32)CC[C@H]1C ZINC001071957262 686796112 /nfs/dbraw/zinc/79/61/12/686796112.db2.gz GCLKPEMGWVCIIY-WBVHZDCISA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3sccc3[nH]2)CC[C@@H]1C ZINC001071960621 686796958 /nfs/dbraw/zinc/79/69/58/686796958.db2.gz GBBPTOFMCNRVED-QWHCGFSZSA-N 0 3 317.458 3.388 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3ccncc3c2)CC[C@H]1C ZINC001071963343 686798782 /nfs/dbraw/zinc/79/87/82/686798782.db2.gz FTLVRRUUOOHXCJ-BEFAXECRSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2oc(CCC)nc2C)CC[C@@H]1C ZINC001071993726 686808253 /nfs/dbraw/zinc/80/82/53/686808253.db2.gz WOGXAIFWPNGUNH-ZFWWWQNUSA-N 0 3 319.449 3.094 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)cc2OC)CC[C@@H]1C ZINC001072002000 686809875 /nfs/dbraw/zinc/80/98/75/686809875.db2.gz IGRJPUMDUYEZSD-HOTGVXAUSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(C)ccc2F)CC[C@H]1C ZINC001072001932 686810058 /nfs/dbraw/zinc/81/00/58/686810058.db2.gz HNIXSIRVUHRVKG-NVXWUHKLSA-N 0 3 318.436 3.222 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)ccc2F)CC[C@H]1C ZINC001072001934 686810398 /nfs/dbraw/zinc/81/03/98/686810398.db2.gz HNIXSIRVUHRVKG-WBVHZDCISA-N 0 3 318.436 3.222 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(C(F)F)c2)CC[C@H]1C ZINC001072006361 686811666 /nfs/dbraw/zinc/81/16/66/686811666.db2.gz SEEZBPCFIIJDAB-CZUORRHYSA-N 0 3 320.383 3.230 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2c(F)cccc2Cl)CC[C@@H]1C ZINC001072012334 686818946 /nfs/dbraw/zinc/81/89/46/686818946.db2.gz MFLDSXJKHKAVPJ-STQMWFEESA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(Cl)c2)CC[C@H]1C ZINC001072019037 686825196 /nfs/dbraw/zinc/82/51/96/686825196.db2.gz BMHLDEXJHMWATI-CZUORRHYSA-N 0 3 306.837 3.499 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2c(F)cccc2Cl)CC[C@H]1C ZINC001072019791 686825831 /nfs/dbraw/zinc/82/58/31/686825831.db2.gz OGTMRSBOQCRRRG-CHWSQXEVSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2c(F)cccc2Cl)CC[C@@H]1C ZINC001072019794 686825852 /nfs/dbraw/zinc/82/58/52/686825852.db2.gz OGTMRSBOQCRRRG-STQMWFEESA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(Cl)cc2)CC[C@@H]1C ZINC001072032581 686832778 /nfs/dbraw/zinc/83/27/78/686832778.db2.gz FJYZIMXWFSUCKL-WMLDXEAASA-N 0 3 320.864 3.428 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)cc2Cl)CC[C@H]1C ZINC001072044510 686840523 /nfs/dbraw/zinc/84/05/23/686840523.db2.gz MLQKGABWFAZWIK-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)CC[C@H]1C ZINC001072087874 686859652 /nfs/dbraw/zinc/85/96/52/686859652.db2.gz COLDWNNKAMFXSK-WBVHZDCISA-N 0 3 316.420 3.049 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@H]1C ZINC001072109142 686870521 /nfs/dbraw/zinc/87/05/21/686870521.db2.gz CBBFYWUQFUWHHL-ZIAGYGMSSA-N 0 3 321.490 3.254 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2coc3ccccc23)CC[C@H]1C ZINC001072120485 686877012 /nfs/dbraw/zinc/87/70/12/686877012.db2.gz UZDAXDJNTOEMTQ-HUUCEWRRSA-N 0 3 310.397 3.039 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccccc3C)C2)C1 ZINC001073032036 687002618 /nfs/dbraw/zinc/00/26/18/687002618.db2.gz YGOOHUVQAHTMIU-GOSISDBHSA-N 0 3 324.468 3.046 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCc3ccc(Cl)s3)C2)C1 ZINC001073425910 687192328 /nfs/dbraw/zinc/19/23/28/687192328.db2.gz LKWOQBFVOUIULZ-UHFFFAOYSA-N 0 3 324.877 3.054 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccc(F)cc3)C2)C1 ZINC001073450943 687195895 /nfs/dbraw/zinc/19/58/95/687195895.db2.gz NZZHPVPWAPAGPS-OAHLLOKOSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)c3ccc(F)cc3)C2)C1 ZINC001073450942 687195917 /nfs/dbraw/zinc/19/59/17/687195917.db2.gz NZZHPVPWAPAGPS-HNNXBMFYSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CC)c3ccc(F)cc3)C2)C1 ZINC001073467620 687200554 /nfs/dbraw/zinc/20/05/54/687200554.db2.gz ANRLXZJNFYSERB-KRWDZBQOSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3csc4ccccc34)[C@@H]2C1 ZINC001076100768 687478839 /nfs/dbraw/zinc/47/88/39/687478839.db2.gz OMQUADAXRRPBJI-XJKSGUPXSA-N 0 3 312.438 3.234 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3cc4ccccc4o3)[C@@H]2C1 ZINC001076111068 687480054 /nfs/dbraw/zinc/48/00/54/687480054.db2.gz JIMFPSQHZDMGNA-FUHWJXTLSA-N 0 3 324.424 3.084 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)[C@@H]2C1 ZINC001076191940 687494359 /nfs/dbraw/zinc/49/43/59/687494359.db2.gz QJFGXKAKSLZBMD-RBUKOAKNSA-N 0 3 312.457 3.362 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)[C@@H]2C1 ZINC001076203948 687494990 /nfs/dbraw/zinc/49/49/90/687494990.db2.gz KXYRLJDCXKMWBM-DOTOQJQBSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(-c4ccoc4)c3)[C@@H]2C1 ZINC001076440636 687523658 /nfs/dbraw/zinc/52/36/58/687523658.db2.gz DSVJZWOIMWGRDT-PKOBYXMFSA-N 0 3 322.408 3.279 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2)C12CCC2 ZINC001078531408 687677232 /nfs/dbraw/zinc/67/72/32/687677232.db2.gz LZHBOWPXAIGKBX-LSDHHAIUSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2sccc2C)C12CCC2 ZINC001078535022 687677983 /nfs/dbraw/zinc/67/79/83/687677983.db2.gz YJLNOCWEFUEPIH-OLZOCXBDSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cccc(F)c2)C12CCC2 ZINC001078539128 687678922 /nfs/dbraw/zinc/67/89/22/687678922.db2.gz NQCQRHBNWMRTRT-CABCVRRESA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2oc(C)cc2C)C12CCC2 ZINC001078585332 687685265 /nfs/dbraw/zinc/68/52/65/687685265.db2.gz DPJGQDHXESHFBO-UONOGXRCSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CCC(CC2)C3)C12CCC2 ZINC001078659342 687698903 /nfs/dbraw/zinc/69/89/03/687698903.db2.gz XZOKBDPIHXCRNY-GWUWNPHMSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)[nH]c2C)C12CCC2 ZINC001078736119 687716826 /nfs/dbraw/zinc/71/68/26/687716826.db2.gz FDKTWGXTJYIZHS-GJZGRUSLSA-N 0 3 321.852 3.015 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C2CC2)C2CC2)C12CCC2 ZINC001078774438 687725653 /nfs/dbraw/zinc/72/56/53/687725653.db2.gz XUUZCJKHOSBGEO-GJZGRUSLSA-N 0 3 322.880 3.192 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001079794553 687890999 /nfs/dbraw/zinc/89/09/99/687890999.db2.gz CSOSIVMVPGLIBI-AUUYWEPGSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001079855500 687897751 /nfs/dbraw/zinc/89/77/51/687897751.db2.gz DFBFXSPLDLRPDH-GMTUCVLRSA-N 0 3 316.489 3.071 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001080071506 687917808 /nfs/dbraw/zinc/91/78/08/687917808.db2.gz YQVMYIPAHGURRY-VQIMIIECSA-N 0 3 314.473 3.050 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001080080050 687918838 /nfs/dbraw/zinc/91/88/38/687918838.db2.gz PAJXUEHDZNICOP-IAQYHMDHSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001080150586 687923296 /nfs/dbraw/zinc/92/32/96/687923296.db2.gz LCTMSJHUDPXKLU-AUUYWEPGSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001080503522 687987748 /nfs/dbraw/zinc/98/77/48/687987748.db2.gz VEIUWZQXLHAPQI-LTIDMASMSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001080653819 688007606 /nfs/dbraw/zinc/00/76/06/688007606.db2.gz QYXFSIFBOVPXBK-AUUYWEPGSA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001080886458 688023987 /nfs/dbraw/zinc/02/39/87/688023987.db2.gz HUSVWQSAIVHCGP-AQEOSJORSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@H]1c1ccccc1 ZINC001081215214 688058831 /nfs/dbraw/zinc/05/88/31/688058831.db2.gz HOJZNUXMJHJICX-FRYIKTPZSA-N 0 3 324.468 3.030 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC001577429928 1191901109 /nfs/dbraw/zinc/90/11/09/1191901109.db2.gz CBGZSXNJTDBJOK-HZPDHXFCSA-N 0 3 310.482 3.282 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)c1cccc2c1CNC2 ZINC001577574641 1191907779 /nfs/dbraw/zinc/90/77/79/1191907779.db2.gz KQQCWAJOSHXEDH-UHFFFAOYSA-N 0 3 320.396 3.236 20 30 DGEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)c2ccccc12 ZINC001579225101 1191969333 /nfs/dbraw/zinc/96/93/33/1191969333.db2.gz DWMPESCHXNLYPS-HNNXBMFYSA-N 0 3 311.385 3.198 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC001580049277 1192004494 /nfs/dbraw/zinc/00/44/94/1192004494.db2.gz MSFDEOYNGVRDPI-IRXDYDNUSA-N 0 3 305.466 3.359 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC001580049029 1192004743 /nfs/dbraw/zinc/00/47/43/1192004743.db2.gz DVGJOGSOTOZNQM-SECBINFHSA-N 0 3 304.152 3.092 20 30 DGEDHN N#Cc1ccc(CNC(=O)[C@@H](N)C2CCCCCC2)cc1Cl ZINC001580065698 1192005913 /nfs/dbraw/zinc/00/59/13/1192005913.db2.gz OVHVJBRCYNGRGJ-INIZCTEOSA-N 0 3 319.836 3.126 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C(C)(C)C)oc1C ZINC001663684328 1196928408 /nfs/dbraw/zinc/92/84/08/1196928408.db2.gz WTTFJZGDSPLQGM-UHFFFAOYSA-N 0 3 318.461 3.351 20 30 DGEDHN C#CCCCCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588345468 1192445189 /nfs/dbraw/zinc/44/51/89/1192445189.db2.gz BBJVCDZWUHJHPU-GOSISDBHSA-N 0 3 323.444 3.417 20 30 DGEDHN C#CCCCCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588345468 1192445190 /nfs/dbraw/zinc/44/51/90/1192445190.db2.gz BBJVCDZWUHJHPU-GOSISDBHSA-N 0 3 323.444 3.417 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC001588577685 1192449919 /nfs/dbraw/zinc/44/99/19/1192449919.db2.gz LKWYZXLDIJFTTO-CYBMUJFWSA-N 0 3 317.462 3.044 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC001588577685 1192449921 /nfs/dbraw/zinc/44/99/21/1192449921.db2.gz LKWYZXLDIJFTTO-CYBMUJFWSA-N 0 3 317.462 3.044 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588558677 1192450422 /nfs/dbraw/zinc/45/04/22/1192450422.db2.gz BPLQVCQFHVMOEB-RDJZCZTQSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588558677 1192450425 /nfs/dbraw/zinc/45/04/25/1192450425.db2.gz BPLQVCQFHVMOEB-RDJZCZTQSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(C)CCCC1 ZINC001588649310 1192452398 /nfs/dbraw/zinc/45/23/98/1192452398.db2.gz YOKMEZFINYPHLY-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(C)CCCC1 ZINC001588649310 1192452402 /nfs/dbraw/zinc/45/24/02/1192452402.db2.gz YOKMEZFINYPHLY-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(C)CCCC1 ZINC001588649310 1192452405 /nfs/dbraw/zinc/45/24/05/1192452405.db2.gz YOKMEZFINYPHLY-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(C)CCCC1 ZINC001588649310 1192452408 /nfs/dbraw/zinc/45/24/08/1192452408.db2.gz YOKMEZFINYPHLY-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CCN(CCNC(=O)CCc1cc(Cl)cs1)C1CC1 ZINC001663761481 1196940919 /nfs/dbraw/zinc/94/09/19/1196940919.db2.gz SIIXNLPPEJHXLC-UHFFFAOYSA-N 0 3 312.866 3.101 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)[NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001589795526 1192474728 /nfs/dbraw/zinc/47/47/28/1192474728.db2.gz MWRROCWGSJMSLR-ZDUSSCGKSA-N 0 3 324.432 3.164 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)[NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001589795526 1192474729 /nfs/dbraw/zinc/47/47/29/1192474729.db2.gz MWRROCWGSJMSLR-ZDUSSCGKSA-N 0 3 324.432 3.164 20 30 DGEDHN C#CCOc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC001620942241 1192636591 /nfs/dbraw/zinc/63/65/91/1192636591.db2.gz YPCANPYCMIPINV-UHFFFAOYSA-N 0 3 323.421 3.440 20 30 DGEDHN C=CCCCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001594720270 1192647640 /nfs/dbraw/zinc/64/76/40/1192647640.db2.gz HLOMGRSOVPNJHX-HUUCEWRRSA-N 0 3 317.481 3.041 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001687156632 1176034781 /nfs/dbraw/zinc/03/47/81/1176034781.db2.gz NEFLPWDXLKTEQS-UHFFFAOYSA-N 0 3 317.477 3.362 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2ccc(C)cc2C)cc1 ZINC001690968330 1176048396 /nfs/dbraw/zinc/04/83/96/1176048396.db2.gz RWRMAMHUHWVJQM-UHFFFAOYSA-N 0 3 320.436 3.147 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccc(Cl)cc1F)C1CC1 ZINC001670451557 1176140280 /nfs/dbraw/zinc/14/02/80/1176140280.db2.gz SHSZAFWCYWSCNN-MRXNPFEDSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001670718806 1176231796 /nfs/dbraw/zinc/23/17/96/1176231796.db2.gz DXHVIXVHDLIQGV-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001670719391 1176232766 /nfs/dbraw/zinc/23/27/66/1176232766.db2.gz PYFDEMWLJZSGIM-HZPDHXFCSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H](NC[C@@H](F)CC)C2)CCCCC1 ZINC001690679627 1176241373 /nfs/dbraw/zinc/24/13/73/1176241373.db2.gz DMMRKILBFAAQQZ-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1cccs1 ZINC001691059695 1176283279 /nfs/dbraw/zinc/28/32/79/1176283279.db2.gz YTEYMAAJNGZJLU-GJZGRUSLSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@@H]2CCN2C[C@H](C)OC)CCCCC1 ZINC001691061720 1176286461 /nfs/dbraw/zinc/28/64/61/1176286461.db2.gz JCAQJCKPDMZYMF-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001691069153 1176292112 /nfs/dbraw/zinc/29/21/12/1176292112.db2.gz VSPWNCDVAFKKOE-MRXNPFEDSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001691068201 1176292309 /nfs/dbraw/zinc/29/23/09/1176292309.db2.gz JQIASACWYKJARM-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001691072168 1176293994 /nfs/dbraw/zinc/29/39/94/1176293994.db2.gz VBXKYDPOPWKCMW-ZFWWWQNUSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1CC ZINC001691072368 1176295027 /nfs/dbraw/zinc/29/50/27/1176295027.db2.gz XBVKOTIXFWLZRA-OAHLLOKOSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001691079864 1176298446 /nfs/dbraw/zinc/29/84/46/1176298446.db2.gz QDTDWISSINMUCN-FUHWJXTLSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(Cc2ccccc2)CCC1 ZINC001691082284 1176299847 /nfs/dbraw/zinc/29/98/47/1176299847.db2.gz HQVJOAYMIWKMMZ-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001691097329 1176311018 /nfs/dbraw/zinc/31/10/18/1176311018.db2.gz JUJHOBHLIRUBEV-BBRMVZONSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001691161450 1176347782 /nfs/dbraw/zinc/34/77/82/1176347782.db2.gz KJYKXCKCTSIDFI-JHJVBQTASA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1CC(F)(F)C1)c1ccccc1 ZINC001691776766 1176374417 /nfs/dbraw/zinc/37/44/17/1176374417.db2.gz AMWFFMHJBLZCPX-HNNXBMFYSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC001691214985 1176396065 /nfs/dbraw/zinc/39/60/65/1176396065.db2.gz ASDZLJGAXHFTJR-KGLIPLIRSA-N 0 3 318.383 3.122 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(CC2=CCCCC2)C2CC2)cc1 ZINC001691219973 1176400108 /nfs/dbraw/zinc/40/01/08/1176400108.db2.gz ZSUILJQCBPNKTM-UHFFFAOYSA-N 0 3 322.452 3.363 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)C#Cc1cccs1 ZINC001597614017 1192740424 /nfs/dbraw/zinc/74/04/24/1192740424.db2.gz RBRMVHVCWZVUDT-UHFFFAOYSA-N 0 3 318.486 3.070 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccsc1)c1ccccc1 ZINC001691773247 1176440286 /nfs/dbraw/zinc/44/02/86/1176440286.db2.gz WIEXWLIIMBRMMR-MRXNPFEDSA-N 0 3 300.427 3.385 20 30 DGEDHN C=C(C)CC[NH2+][C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001691773336 1176447623 /nfs/dbraw/zinc/44/76/23/1176447623.db2.gz XIVJMJVOKIOHPI-SFHVURJKSA-N 0 3 324.424 3.419 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001691395286 1176462382 /nfs/dbraw/zinc/46/23/82/1176462382.db2.gz IDEIRISSJVXTRA-JKSUJKDBSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CC2CC2)CCCCC1 ZINC001691416496 1176475446 /nfs/dbraw/zinc/47/54/46/1176475446.db2.gz KSCDAZMPJJKNNO-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC=C)CCCCC1 ZINC001691416658 1176475649 /nfs/dbraw/zinc/47/56/49/1176475649.db2.gz NZOHBTLNQVHJPR-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(CC)CC)C(C)(C)[C@H]21 ZINC001691429573 1176534827 /nfs/dbraw/zinc/53/48/27/1176534827.db2.gz ZZSAXTBATHKIGG-NXHRZFHOSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001750938716 1176570154 /nfs/dbraw/zinc/57/01/54/1176570154.db2.gz BBZKYBSANJBCPB-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)CC1 ZINC001754561155 1176605668 /nfs/dbraw/zinc/60/56/68/1176605668.db2.gz KTXYKPYYVMRRIH-QGZVFWFLSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@](C)(CC)CCC)CCO2 ZINC001755174720 1176824782 /nfs/dbraw/zinc/82/47/82/1176824782.db2.gz VAUOHHDJKVTCNR-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001752533852 1176886223 /nfs/dbraw/zinc/88/62/23/1176886223.db2.gz AAGJHIIIZRWKOZ-TWMKSMIVSA-N 0 3 308.441 3.156 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001755318731 1176896367 /nfs/dbraw/zinc/89/63/67/1176896367.db2.gz MQXSKOOWCLJCMS-CYBMUJFWSA-N 0 3 308.853 3.240 20 30 DGEDHN N#CCc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1 ZINC001620985087 1192776725 /nfs/dbraw/zinc/77/67/25/1192776725.db2.gz SUTXVCYHLLRKSX-UHFFFAOYSA-N 0 3 308.410 3.494 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCOc1cc(C)cc(C)c1 ZINC001753854517 1176968291 /nfs/dbraw/zinc/96/82/91/1176968291.db2.gz NMMOEWDNBVCMDB-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001755501620 1177048954 /nfs/dbraw/zinc/04/89/54/1177048954.db2.gz CZIAOUSPOXMTQW-STQMWFEESA-N 0 3 322.827 3.439 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1CCOC1CCC1 ZINC001752822244 1177204268 /nfs/dbraw/zinc/20/42/68/1177204268.db2.gz CLZZBDGPFPFUOJ-INIZCTEOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC001752822014 1177204394 /nfs/dbraw/zinc/20/43/94/1177204394.db2.gz XJCFEFWYFSYSTO-SJLPKXTDSA-N 0 3 315.461 3.122 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001752862781 1177355319 /nfs/dbraw/zinc/35/53/19/1177355319.db2.gz SAXCFNHWCVAFAJ-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H](C)NCc1ccsc1)c1ccccc1 ZINC001752921198 1177442345 /nfs/dbraw/zinc/44/23/45/1177442345.db2.gz NQIKEHLKOBIUJV-RHSMWYFYSA-N 0 3 314.454 3.312 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H](C)NCc1ccsc1)c1ccccc1 ZINC001752921199 1177442767 /nfs/dbraw/zinc/44/27/67/1177442767.db2.gz NQIKEHLKOBIUJV-WMLDXEAASA-N 0 3 314.454 3.312 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCc1ccccc1 ZINC001691652154 1177532026 /nfs/dbraw/zinc/53/20/26/1177532026.db2.gz JKIANEBMTICTMD-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCC(=O)NC1(C)CCN(Cc2cccc(OC)c2)CC1 ZINC001671402712 1177552945 /nfs/dbraw/zinc/55/29/45/1177552945.db2.gz BIDVCKPKUYXNGD-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001671006430 1177568522 /nfs/dbraw/zinc/56/85/22/1177568522.db2.gz FUEWKOOCUWWJDH-OKZBNKHCSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCCOC ZINC001671014352 1177571268 /nfs/dbraw/zinc/57/12/68/1177571268.db2.gz ADXARGKNGMKJCE-HDICACEKSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001691660777 1177604925 /nfs/dbraw/zinc/60/49/25/1177604925.db2.gz FVMUNGRPRALODK-RDJZCZTQSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1cc(C)cc(C)c1 ZINC001691669887 1177627739 /nfs/dbraw/zinc/62/77/39/1177627739.db2.gz CONSDVHZYIFEAE-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001671084778 1177774368 /nfs/dbraw/zinc/77/43/68/1177774368.db2.gz HJIWJZSGNOAXBN-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001274622928 1177918850 /nfs/dbraw/zinc/91/88/50/1177918850.db2.gz HLQSIDBWRIFSFK-CRAIPNDOSA-N 0 3 316.420 3.098 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001274622931 1177919044 /nfs/dbraw/zinc/91/90/44/1177919044.db2.gz HLQSIDBWRIFSFK-YJBOKZPZSA-N 0 3 316.420 3.098 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc3occc32)C1=O ZINC001274625116 1177919353 /nfs/dbraw/zinc/91/93/53/1177919353.db2.gz FSKHPASOPKYECE-LJQANCHMSA-N 0 3 310.397 3.186 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c[nH]cc1C1CC1 ZINC001330945677 1178097586 /nfs/dbraw/zinc/09/75/86/1178097586.db2.gz JFQAGVQEUWVBCX-LBPRGKRZSA-N 0 3 309.841 3.133 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001330992412 1178108173 /nfs/dbraw/zinc/10/81/73/1178108173.db2.gz VCXFYGJXDVIVOT-RYUDHWBXSA-N 0 3 317.286 3.219 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@](O)(CC)C(F)(F)F ZINC001641516929 1194858204 /nfs/dbraw/zinc/85/82/04/1194858204.db2.gz YXLLJMASUJYQQO-HNNXBMFYSA-N 0 3 314.351 3.474 20 30 DGEDHN CC(C)C#CC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001331218973 1178157766 /nfs/dbraw/zinc/15/77/66/1178157766.db2.gz CLSXLIINTDBYAI-IBGZPJMESA-N 0 3 312.457 3.157 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001331308267 1178181128 /nfs/dbraw/zinc/18/11/28/1178181128.db2.gz DYAKJYGSCZVXJT-LBPRGKRZSA-N 0 3 319.276 3.344 20 30 DGEDHN CCC(CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001331390258 1178202061 /nfs/dbraw/zinc/20/20/61/1178202061.db2.gz UCOBNWZQTZPQNK-HNNXBMFYSA-N 0 3 318.436 3.050 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001331993141 1178330766 /nfs/dbraw/zinc/33/07/66/1178330766.db2.gz VZWPMUPLNRZNDA-KBPBESRZSA-N 0 3 317.458 3.055 20 30 DGEDHN N#Cc1cc(NC(=O)[C@H]2CNCc3ccccc32)ccc1C1CC1 ZINC001332077422 1178352376 /nfs/dbraw/zinc/35/23/76/1178352376.db2.gz RKRJSXRPQYWZBG-IBGZPJMESA-N 0 3 317.392 3.261 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC001332115754 1178362202 /nfs/dbraw/zinc/36/22/02/1178362202.db2.gz FWQVFTLZEXLFCB-FBBABVLZSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)C(C)(F)F)[C@H]1C ZINC001332162887 1178377704 /nfs/dbraw/zinc/37/77/04/1178377704.db2.gz YMPAQLBFECNSCG-KGLIPLIRSA-N 0 3 302.409 3.357 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)Cc1ccccc1F)C(C)C ZINC001332732577 1178485123 /nfs/dbraw/zinc/48/51/23/1178485123.db2.gz PGSVEZHUQUCLAI-MRXNPFEDSA-N 0 3 320.452 3.359 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C=C)c1ccccc1)C(C)C ZINC001332740665 1178490199 /nfs/dbraw/zinc/49/01/99/1178490199.db2.gz PVVXLMILGTXVNC-SFHVURJKSA-N 0 3 300.446 3.311 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC001333444953 1178605987 /nfs/dbraw/zinc/60/59/87/1178605987.db2.gz ORYMKSLAVWFFRA-UHFFFAOYSA-N 0 3 318.383 3.289 20 30 DGEDHN C=C[C@H](COC)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001334695125 1178782488 /nfs/dbraw/zinc/78/24/88/1178782488.db2.gz XXXWUGPUBNDGCA-MRXNPFEDSA-N 0 3 320.433 3.002 20 30 DGEDHN N#Cc1cncc(CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC001334749311 1178789864 /nfs/dbraw/zinc/78/98/64/1178789864.db2.gz ZUNRGCJSISQKAI-HXUWFJFHSA-N 0 3 320.440 3.270 20 30 DGEDHN C=C(C)CN(C)C(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001334787321 1178798370 /nfs/dbraw/zinc/79/83/70/1178798370.db2.gz LKEDBKRVIPIANT-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@@H]2CCCCN2CCC)cc1 ZINC001341426845 1179006696 /nfs/dbraw/zinc/00/66/96/1179006696.db2.gz KNSCJOKUBBIRLJ-SFHVURJKSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001341445743 1179008221 /nfs/dbraw/zinc/00/82/21/1179008221.db2.gz INZKCSJEAOUNQG-HOCLYGCPSA-N 0 3 306.837 3.340 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N(C)C1CCC(OC)CC1 ZINC001341454269 1179010637 /nfs/dbraw/zinc/01/06/37/1179010637.db2.gz SGROLYQDSOAWMT-JCYILVPMSA-N 0 3 312.498 3.480 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCCC[C@H]1CC ZINC001342020874 1179092954 /nfs/dbraw/zinc/09/29/54/1179092954.db2.gz RFVVOWQWQDZYAE-JKSUJKDBSA-N 0 3 317.481 3.042 20 30 DGEDHN N#CC(C(=O)CC1(C(F)(F)F)CC1)c1nc2ccccc2[nH]1 ZINC001342044655 1179095983 /nfs/dbraw/zinc/09/59/83/1179095983.db2.gz MNANVMQCEMENHD-SECBINFHSA-N 0 3 307.275 3.472 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccc(Cl)cc1 ZINC001342277690 1179125169 /nfs/dbraw/zinc/12/51/69/1179125169.db2.gz PNFUVFRMTXLZAQ-AWEZNQCLSA-N 0 3 301.777 3.273 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(CC)(CO)CC1 ZINC001342287170 1179127279 /nfs/dbraw/zinc/12/72/79/1179127279.db2.gz JSZWYTPXIQZBBE-INIZCTEOSA-N 0 3 312.498 3.075 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCCC)c(OC)c1 ZINC001342350296 1179132039 /nfs/dbraw/zinc/13/20/39/1179132039.db2.gz RAOHFGSAOKUQBK-CQSZACIVSA-N 0 3 306.406 3.106 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cnc2c(ccc(F)c2F)c1 ZINC001342436217 1179141384 /nfs/dbraw/zinc/14/13/84/1179141384.db2.gz KYXBVOGPKWOZBX-CYBMUJFWSA-N 0 3 305.328 3.135 20 30 DGEDHN Cc1ccccc1[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC001342716035 1179178052 /nfs/dbraw/zinc/17/80/52/1179178052.db2.gz HAZPLAASRBKAOM-YOEHRIQHSA-N 0 3 312.413 3.256 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCOc1ccccc1Cl ZINC001342925463 1179211926 /nfs/dbraw/zinc/21/19/26/1179211926.db2.gz TTYSVVYYYQDZGT-LBPRGKRZSA-N 0 3 317.776 3.109 20 30 DGEDHN C[C@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC001343336437 1179259551 /nfs/dbraw/zinc/25/95/51/1179259551.db2.gz QFLJZUZPVKABJZ-XJKSGUPXSA-N 0 3 314.385 3.072 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](CC)c1cccc(OC)c1 ZINC001343523589 1179291882 /nfs/dbraw/zinc/29/18/82/1179291882.db2.gz VYUMEJKHONALQK-LSDHHAIUSA-N 0 3 310.825 3.075 20 30 DGEDHN Cc1cc(-c2ncccc2NC(=O)[C@H](N)CCCC#N)cs1 ZINC001343582056 1179300059 /nfs/dbraw/zinc/30/00/59/1179300059.db2.gz HXGQUJOIDNAMQE-CYBMUJFWSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1nnc(-c2ccc(C(=O)C(C#N)c3cccc(F)n3)cc2)o1 ZINC001344023980 1179365853 /nfs/dbraw/zinc/36/58/53/1179365853.db2.gz TZVWYJOSADVDCE-ZDUSSCGKSA-N 0 3 322.299 3.069 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC001344070863 1179374603 /nfs/dbraw/zinc/37/46/03/1179374603.db2.gz WYLHHABFSBXHSR-MRXNPFEDSA-N 0 3 303.402 3.015 20 30 DGEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1cccc(F)n1 ZINC001344597945 1179456188 /nfs/dbraw/zinc/45/61/88/1179456188.db2.gz YNRQZXFAETVZSA-LBPRGKRZSA-N 0 3 304.271 3.308 20 30 DGEDHN CN1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001345921688 1179622898 /nfs/dbraw/zinc/62/28/98/1179622898.db2.gz SIDVWNSTJQXJAC-HNNXBMFYSA-N 0 3 312.417 3.041 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ncc(Cl)n2C)cc(C)c1C#N ZINC001346088385 1179650671 /nfs/dbraw/zinc/65/06/71/1179650671.db2.gz WTTFYKVPBGAUMZ-CYBMUJFWSA-N 0 3 312.760 3.052 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(C(F)(F)F)s1 ZINC001346095891 1179652830 /nfs/dbraw/zinc/65/28/30/1179652830.db2.gz LDADIIVWFLPRFP-QMMMGPOBSA-N 0 3 313.304 3.473 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001346272563 1179678916 /nfs/dbraw/zinc/67/89/16/1179678916.db2.gz YTVGJFFXFPYORP-JSGCOSHPSA-N 0 3 303.431 3.070 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC=CC23CCCCC3)CC1 ZINC001347342529 1179798127 /nfs/dbraw/zinc/79/81/27/1179798127.db2.gz FIWXFSSIHSBNSC-UHFFFAOYSA-N 0 3 317.477 3.311 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC001349702700 1179935091 /nfs/dbraw/zinc/93/50/91/1179935091.db2.gz RUFHUBNBHBBDNL-OCCSQVGLSA-N 0 3 313.788 3.370 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC001349887043 1179972075 /nfs/dbraw/zinc/97/20/75/1179972075.db2.gz ZKTSQFPITYPTDX-AWEZNQCLSA-N 0 3 318.808 3.102 20 30 DGEDHN C=CC[N@H+](Cc1cc(Cl)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001602852294 1193000230 /nfs/dbraw/zinc/00/02/30/1193000230.db2.gz NOSWCMBFOHGHMH-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN C=CC[N@@H+](Cc1cc(Cl)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001602852294 1193000231 /nfs/dbraw/zinc/00/02/31/1193000231.db2.gz NOSWCMBFOHGHMH-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN C=CC[N@H+](Cc1cc(Cl)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001602852294 1193000233 /nfs/dbraw/zinc/00/02/33/1193000233.db2.gz NOSWCMBFOHGHMH-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN C=CC[N@@H+](Cc1cc(Cl)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001602852294 1193000236 /nfs/dbraw/zinc/00/02/36/1193000236.db2.gz NOSWCMBFOHGHMH-UHFFFAOYSA-N 0 3 305.813 3.307 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3csc(C#N)c3)n2)cc1 ZINC001350682110 1180106869 /nfs/dbraw/zinc/10/68/69/1180106869.db2.gz PZDTZSRFELVXBP-UHFFFAOYSA-N 0 3 310.382 3.398 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2ccccc2Cl)C1 ZINC001100171520 1180419607 /nfs/dbraw/zinc/41/96/07/1180419607.db2.gz BOFIMOPTTCKYNP-UHFFFAOYSA-N 0 3 306.837 3.291 20 30 DGEDHN CC(C)(C)/C=C/C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100192461 1180434613 /nfs/dbraw/zinc/43/46/13/1180434613.db2.gz DDRDMDHOMOSDQB-VAWYXSNFSA-N 0 3 324.468 3.125 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1nnc(C(F)F)s1 ZINC001353212176 1180496454 /nfs/dbraw/zinc/49/64/54/1180496454.db2.gz PJYQBVCPORGKEI-VIFPVBQESA-N 0 3 320.409 3.492 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC001353845649 1180662564 /nfs/dbraw/zinc/66/25/64/1180662564.db2.gz VBGWQTGCMAYGMK-CABCVRRESA-N 0 3 322.836 3.354 20 30 DGEDHN N#CC[C@@H](O)CNC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001354493879 1180812755 /nfs/dbraw/zinc/81/27/55/1180812755.db2.gz HLOBQDNAAFWROX-CQSZACIVSA-N 0 3 312.335 3.339 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100596197 1180836559 /nfs/dbraw/zinc/83/65/59/1180836559.db2.gz NZPYPBWRQUHZBZ-KKXNLOMOSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3ccccc3F)C2)C1 ZINC001100661154 1180903457 /nfs/dbraw/zinc/90/34/57/1180903457.db2.gz FEUGQYVNANIMLP-UHFFFAOYSA-N 0 3 316.420 3.166 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CC(NCC=C(Cl)Cl)C2)C1 ZINC001100662367 1180904951 /nfs/dbraw/zinc/90/49/51/1180904951.db2.gz TYFGHTLCGMTZHF-UHFFFAOYSA-N 0 3 317.260 3.146 20 30 DGEDHN CCCCCCCCCC(=O)N1CCC2(CC1)CNCCO2 ZINC001355169992 1181003125 /nfs/dbraw/zinc/00/31/25/1181003125.db2.gz KOEMZUFLGCLTMS-UHFFFAOYSA-N 0 3 310.482 3.108 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001355270755 1181024525 /nfs/dbraw/zinc/02/45/25/1181024525.db2.gz WUDZGHVDYRLPLH-IAQYHMDHSA-N 0 3 322.836 3.136 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CCCc1ccc(C)s1 ZINC001649459980 1195344759 /nfs/dbraw/zinc/34/47/59/1195344759.db2.gz AZKHVAPXPXPIPX-UHFFFAOYSA-N 0 3 320.502 3.183 20 30 DGEDHN N#CC(C(=O)c1c[nH]nc1-c1ccccc1)c1cccc(F)n1 ZINC001357640446 1181415093 /nfs/dbraw/zinc/41/50/93/1181415093.db2.gz ZTMHQKJALCWUPY-GFCCVEGCSA-N 0 3 306.300 3.101 20 30 DGEDHN C#C[C@@H](N[C@H]1CCCN(CC)C1)c1ccc(Br)cc1 ZINC001474545740 1181590979 /nfs/dbraw/zinc/59/09/79/1181590979.db2.gz IAXBVAHNNSXVOQ-JKSUJKDBSA-N 0 3 321.262 3.197 20 30 DGEDHN CCN(CCNC(=O)[C@@H](C)C(C)(C)C)Cc1cccc(C#N)c1 ZINC001492975322 1181752841 /nfs/dbraw/zinc/75/28/41/1181752841.db2.gz XESLOFHDHPXJLM-OAHLLOKOSA-N 0 3 315.461 3.179 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001450418997 1182249298 /nfs/dbraw/zinc/24/92/98/1182249298.db2.gz VRDSCUFRCITWNM-QGZVFWFLSA-N 0 3 324.509 3.306 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001455419645 1182369869 /nfs/dbraw/zinc/36/98/69/1182369869.db2.gz REKHKLPDPHTILV-DLBZAZTESA-N 0 3 310.482 3.059 20 30 DGEDHN C=C(CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001456937031 1182436580 /nfs/dbraw/zinc/43/65/80/1182436580.db2.gz UIZABZAVLUOFPC-SFHVURJKSA-N 0 3 317.477 3.074 20 30 DGEDHN CC(C)[C@@H]1C[C@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC001458702881 1182550140 /nfs/dbraw/zinc/55/01/40/1182550140.db2.gz MJZMUHNQMBIXIZ-HOCLYGCPSA-N 0 3 318.852 3.306 20 30 DGEDHN C#CCOCCN(C)Cc1ccc(Cl)c(Br)c1 ZINC001459895434 1182626127 /nfs/dbraw/zinc/62/61/27/1182626127.db2.gz UAXZVIQWINGOSW-UHFFFAOYSA-N 0 3 316.626 3.184 20 30 DGEDHN C=C(C)[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001459980365 1182637984 /nfs/dbraw/zinc/63/79/84/1182637984.db2.gz NVHXUHSXLAOZGE-QWQRMKEZSA-N 0 3 324.415 3.281 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN[C@H](c2ccccn2)C2CCC2)c1 ZINC001460484510 1182691199 /nfs/dbraw/zinc/69/11/99/1182691199.db2.gz MXHGPWBLFSIFMW-OALUTQOASA-N 0 3 307.397 3.118 20 30 DGEDHN C[C@@H]1CCC[C@H](CCN2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001460745586 1182716848 /nfs/dbraw/zinc/71/68/48/1182716848.db2.gz RKVDCXHIQSKWBQ-IAGOWNOFSA-N 0 3 312.461 3.292 20 30 DGEDHN C[C@@H]1CCC[C@@H](CCN2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001460745591 1182717409 /nfs/dbraw/zinc/71/74/09/1182717409.db2.gz RKVDCXHIQSKWBQ-SJORKVTESA-N 0 3 312.461 3.292 20 30 DGEDHN C#CC[C@H]1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001460758181 1182718512 /nfs/dbraw/zinc/71/85/12/1182718512.db2.gz KXVCOUQJCZWGEQ-INIZCTEOSA-N 0 3 305.425 3.206 20 30 DGEDHN C#Cc1cccc(CNCc2c[nH]nc2-c2cccc(OC)c2)c1 ZINC001461576878 1182830119 /nfs/dbraw/zinc/83/01/19/1182830119.db2.gz CBRWLYFZHBQZSZ-UHFFFAOYSA-N 0 3 317.392 3.356 20 30 DGEDHN C=CCN(Cc1cc2c(cn1)OCCO2)CC1CCCCC1 ZINC001461987171 1182889367 /nfs/dbraw/zinc/88/93/67/1182889367.db2.gz ILZWXQXMKRGWEL-UHFFFAOYSA-N 0 3 302.418 3.421 20 30 DGEDHN Cc1cc(C2OCCO2)c(C)cc1CN1CCC(C)(C#N)CC1 ZINC001461994523 1182891052 /nfs/dbraw/zinc/89/10/52/1182891052.db2.gz SOMDAYNVMPSOPG-UHFFFAOYSA-N 0 3 314.429 3.475 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC001462021224 1182896402 /nfs/dbraw/zinc/89/64/02/1182896402.db2.gz TVSGPKYNURYCAR-OAHLLOKOSA-N 0 3 305.853 3.397 20 30 DGEDHN C#C[C@@H](NCc1ccc(I)s1)C(C)C ZINC001462224844 1182926517 /nfs/dbraw/zinc/92/65/17/1182926517.db2.gz SETWOTCSTBHNPE-SNVBAGLBSA-N 0 3 319.211 3.100 20 30 DGEDHN CSC(C)(C)CCN1CCN(c2ccsc2C#N)CC1 ZINC001462420571 1182950329 /nfs/dbraw/zinc/95/03/29/1182950329.db2.gz GXQLWLBZSYRAHG-UHFFFAOYSA-N 0 3 309.504 3.273 20 30 DGEDHN N#CC1(CN[C@H]2CCc3cccc(Cl)c3C2)CCOCC1 ZINC001462650813 1182981040 /nfs/dbraw/zinc/98/10/40/1182981040.db2.gz CDKJMKXIMFTMDC-AWEZNQCLSA-N 0 3 304.821 3.107 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C(C)=C/c1ccc(F)cc1 ZINC001467727215 1183284869 /nfs/dbraw/zinc/28/48/69/1183284869.db2.gz AKOFYOWOCXBGIS-CCEZHUSRSA-N 0 3 304.409 3.195 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C(C)=C\c1ccc(F)cc1 ZINC001467727216 1183285149 /nfs/dbraw/zinc/28/51/49/1183285149.db2.gz AKOFYOWOCXBGIS-PFONDFGASA-N 0 3 304.409 3.195 20 30 DGEDHN CCCCCCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001469424325 1183407710 /nfs/dbraw/zinc/40/77/10/1183407710.db2.gz LTNNGESNRBWNRA-INIZCTEOSA-N 0 3 309.498 3.473 20 30 DGEDHN C=C1CCC(CNC(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC001471286928 1183553055 /nfs/dbraw/zinc/55/30/55/1183553055.db2.gz FAANWFLAZABJMQ-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN Cc1ccc(CNC2(C(=O)NCC(C)C)CCCC2)cc1C#N ZINC001473245954 1183735050 /nfs/dbraw/zinc/73/50/50/1183735050.db2.gz HEAPGCMNCSWACY-UHFFFAOYSA-N 0 3 313.445 3.041 20 30 DGEDHN C#CC[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001473788710 1183802899 /nfs/dbraw/zinc/80/28/99/1183802899.db2.gz SJAOGTHTFDQTRG-OAHLLOKOSA-N 0 3 307.315 3.282 20 30 DGEDHN COC(=O)Nc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC001473934268 1183831759 /nfs/dbraw/zinc/83/17/59/1183831759.db2.gz YANPROJMWOHXMW-UHFFFAOYSA-N 0 3 301.371 3.088 20 30 DGEDHN C/C=C(\C)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001496032191 1184026233 /nfs/dbraw/zinc/02/62/33/1184026233.db2.gz TVIPYWIOVMOQNF-ZXZGFYSFSA-N 0 3 318.848 3.094 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001479247281 1184215653 /nfs/dbraw/zinc/21/56/53/1184215653.db2.gz YOSTYBYQYQIACQ-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001479247282 1184216262 /nfs/dbraw/zinc/21/62/62/1184216262.db2.gz YOSTYBYQYQIACQ-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001653916974 1195759784 /nfs/dbraw/zinc/75/97/84/1195759784.db2.gz WADUCBMZBVRDKF-KBPBESRZSA-N 0 3 303.324 3.420 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCC[C@@H]2CC)C1 ZINC001479302412 1184229351 /nfs/dbraw/zinc/22/93/51/1184229351.db2.gz METRKOWLFSRQCE-MPTYRVRUSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001479315683 1184231162 /nfs/dbraw/zinc/23/11/62/1184231162.db2.gz UGVZJOYEVQDELZ-FZNQNYSPSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1cnc(C)o1 ZINC001479511353 1184261894 /nfs/dbraw/zinc/26/18/94/1184261894.db2.gz LEOVMBIULHQCCM-YOEHRIQHSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC[C@H](F)CC ZINC001479559154 1184268288 /nfs/dbraw/zinc/26/82/88/1184268288.db2.gz GJMFNYWWGBAFFZ-ZACQAIPSSA-N 0 3 310.457 3.145 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@@H]1CC ZINC001479636110 1184281559 /nfs/dbraw/zinc/28/15/59/1184281559.db2.gz RNRYHCYOXTTZCS-ZWKOTPCHSA-N 0 3 315.461 3.215 20 30 DGEDHN Cc1cc(C)cc(CN2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)c1 ZINC001479704840 1184297888 /nfs/dbraw/zinc/29/78/88/1184297888.db2.gz BDQPSAMYCSOOKP-MJGOQNOKSA-N 0 3 312.457 3.042 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)cc1F ZINC001479738230 1184307605 /nfs/dbraw/zinc/30/76/05/1184307605.db2.gz YPPXCIRAKRDJTQ-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)CC(C)(C)C1 ZINC001479748334 1184312966 /nfs/dbraw/zinc/31/29/66/1184312966.db2.gz SPVCVRCUYCSHLW-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN CC(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001479818354 1184335941 /nfs/dbraw/zinc/33/59/41/1184335941.db2.gz WTUJACZBWXHNDR-KSSFIOAISA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC001479902298 1184373016 /nfs/dbraw/zinc/37/30/16/1184373016.db2.gz GBGTWFOFMYPDHQ-HXUWFJFHSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001479910620 1184376509 /nfs/dbraw/zinc/37/65/09/1184376509.db2.gz FITSQKVJAJCCIG-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001479988399 1184404373 /nfs/dbraw/zinc/40/43/73/1184404373.db2.gz PIVHJXQIABCGOB-DLBZAZTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(F)c(F)c2)CC1 ZINC001479993003 1184406313 /nfs/dbraw/zinc/40/63/13/1184406313.db2.gz GJNGFOOHTLBPFJ-UHFFFAOYSA-N 0 3 322.399 3.467 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC001479996693 1184407520 /nfs/dbraw/zinc/40/75/20/1184407520.db2.gz RCNRXUWWKNJHFC-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(F)F ZINC001480100042 1184434709 /nfs/dbraw/zinc/43/47/09/1184434709.db2.gz SXHAOVBKXRHKPY-ZQDZILKHSA-N 0 3 314.420 3.308 20 30 DGEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1CCCCCC1 ZINC001480130052 1184442158 /nfs/dbraw/zinc/44/21/58/1184442158.db2.gz CODPZUQYIVPYMK-MXVIHJGJSA-N 0 3 324.468 3.245 20 30 DGEDHN O=C(C[C@@H]1C=CCCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480144336 1184444221 /nfs/dbraw/zinc/44/42/21/1184444221.db2.gz GMMCBLMXFBGBON-VAMGGRTRSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNCc1cccnc1 ZINC001480346056 1184501345 /nfs/dbraw/zinc/50/13/45/1184501345.db2.gz QCVAYKZAHXKLCV-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ocnc2C)C1 ZINC001480379497 1184514322 /nfs/dbraw/zinc/51/43/22/1184514322.db2.gz JYCYFEOTUOPNTJ-HOCLYGCPSA-N 0 3 319.449 3.056 20 30 DGEDHN CC/C(C)=C/C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001480763761 1184601662 /nfs/dbraw/zinc/60/16/62/1184601662.db2.gz XMCJIESJMGOXHR-KADHNRKRSA-N 0 3 317.408 3.038 20 30 DGEDHN C=CCCC(=O)NCCN(C1CC1)[C@H]1CCc2ccc(F)cc21 ZINC001493355017 1184691948 /nfs/dbraw/zinc/69/19/48/1184691948.db2.gz QYHRBORYMXRYSC-SFHVURJKSA-N 0 3 316.420 3.360 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN([C@H](C)c1cccc(Cl)c1)C1CC1 ZINC001493357037 1184693589 /nfs/dbraw/zinc/69/35/89/1184693589.db2.gz MVURYXOMZGRYPY-CHWSQXEVSA-N 0 3 319.836 3.141 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc(F)c1Cl)C1CC1 ZINC001493418108 1184703788 /nfs/dbraw/zinc/70/37/88/1184703788.db2.gz MSBBJRDHWARRPR-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN CC(C)CC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001493851571 1184748362 /nfs/dbraw/zinc/74/83/62/1184748362.db2.gz XABQSWMZYSHKDG-UHFFFAOYSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN[C@H](CNC(=O)C#CC1CC1)c1ccc(C(C)C)cc1 ZINC001493878188 1184755651 /nfs/dbraw/zinc/75/56/51/1184755651.db2.gz HKPCCAHFZOKFOI-LJQANCHMSA-N 0 3 310.441 3.156 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccsc1C)c1ccccc1 ZINC001493889352 1184760028 /nfs/dbraw/zinc/76/00/28/1184760028.db2.gz MKAHXONRIFQLOV-INIZCTEOSA-N 0 3 300.427 3.303 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C[C@@H]1CC=CCC1)c1ccccc1 ZINC001493898470 1184761249 /nfs/dbraw/zinc/76/12/49/1184761249.db2.gz UUJAXDNLVJUGPU-IEBWSBKVSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001493941372 1184770642 /nfs/dbraw/zinc/77/06/42/1184770642.db2.gz CDBRVFBWZCVNLE-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCCC(=O)N(CCC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001493941370 1184771076 /nfs/dbraw/zinc/77/10/76/1184771076.db2.gz CDBRVFBWZCVNLE-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001493968956 1184780869 /nfs/dbraw/zinc/78/08/69/1184780869.db2.gz NIYSCTSJGLPUGY-IRXDYDNUSA-N 0 3 316.445 3.028 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001494601073 1184894008 /nfs/dbraw/zinc/89/40/08/1184894008.db2.gz XLRQWZMGNQRXFK-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001494600380 1184894312 /nfs/dbraw/zinc/89/43/12/1184894312.db2.gz PIMKWWSTSLBRRG-UHFFFAOYSA-N 0 3 320.502 3.331 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001494638911 1184898796 /nfs/dbraw/zinc/89/87/96/1184898796.db2.gz CKXLTHUIWFEXAL-JQFCIGGWSA-N 0 3 302.393 3.079 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cccnc21 ZINC001494660971 1184902152 /nfs/dbraw/zinc/90/21/52/1184902152.db2.gz XEPRWABRFCKBDM-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CC1(CC(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)CCCCC1 ZINC001494678142 1184905633 /nfs/dbraw/zinc/90/56/33/1184905633.db2.gz HYFUIDPHUYFTRI-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001494786762 1184927734 /nfs/dbraw/zinc/92/77/34/1184927734.db2.gz SWIWHNRRPZNNIQ-TZMCWYRMSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccccc2C)C1 ZINC001494852232 1184943533 /nfs/dbraw/zinc/94/35/33/1184943533.db2.gz XKGBVFSKALPUPM-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001494914574 1184960089 /nfs/dbraw/zinc/96/00/89/1184960089.db2.gz UOIXKEIVKZFULZ-MJGOQNOKSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)NCc1sccc1Cl ZINC001494951918 1184968784 /nfs/dbraw/zinc/96/87/84/1184968784.db2.gz UDZGXYVRWJDRAH-NSHDSACASA-N 0 3 300.855 3.352 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)=C(C)C)NCC#Cc1ccccc1 ZINC001495035872 1184982922 /nfs/dbraw/zinc/98/29/22/1184982922.db2.gz CVCRKJSFHGXVCV-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001495049529 1184987003 /nfs/dbraw/zinc/98/70/03/1184987003.db2.gz JTXSUFLHIFXWRF-QUCCMNQESA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C(C)(F)F)CCCC[C@@H]1C ZINC001495314052 1185026965 /nfs/dbraw/zinc/02/69/65/1185026965.db2.gz OCNCESKQJFNSRV-HZMBPMFUSA-N 0 3 308.800 3.049 20 30 DGEDHN C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609123793 1193325903 /nfs/dbraw/zinc/32/59/03/1193325903.db2.gz OYGQXJSGAWGMIL-AWEZNQCLSA-N 0 3 324.432 3.381 20 30 DGEDHN C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609123793 1193325908 /nfs/dbraw/zinc/32/59/08/1193325908.db2.gz OYGQXJSGAWGMIL-AWEZNQCLSA-N 0 3 324.432 3.381 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC001495465899 1185057685 /nfs/dbraw/zinc/05/76/85/1185057685.db2.gz XDOXIYYWFJPTRU-DJIMGWMZSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H]2CC[C@@H](C)C2)cc1 ZINC001495491590 1185063220 /nfs/dbraw/zinc/06/32/20/1185063220.db2.gz GAHIUADYWAAZGE-APWZRJJASA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2(F)CCCCC2)cc1 ZINC001495496564 1185064842 /nfs/dbraw/zinc/06/48/42/1185064842.db2.gz YXCGLSVCCVXUKK-UHFFFAOYSA-N 0 3 316.420 3.088 20 30 DGEDHN C=CCCC(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001495899167 1185107593 /nfs/dbraw/zinc/10/75/93/1185107593.db2.gz MNRMNCIPHJVEPT-UHFFFAOYSA-N 0 3 305.249 3.290 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CCNCc1cnc(C)o1 ZINC001496399151 1185180617 /nfs/dbraw/zinc/18/06/17/1185180617.db2.gz KUHDVOXWHIALJI-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CCNCc1cnc(C)o1 ZINC001496399152 1185180820 /nfs/dbraw/zinc/18/08/20/1185180820.db2.gz KUHDVOXWHIALJI-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(F)c1C)C(C)C ZINC001496562588 1185213404 /nfs/dbraw/zinc/21/34/04/1185213404.db2.gz SJZFNJOIWOAMHE-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cccc(C)c1)C(C)C ZINC001496600163 1185218638 /nfs/dbraw/zinc/21/86/38/1185218638.db2.gz UPYLVSTYNZROFL-INIZCTEOSA-N 0 3 308.853 3.020 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CCc1ccc(C(C)C)cc1 ZINC001496741245 1185240033 /nfs/dbraw/zinc/24/00/33/1185240033.db2.gz YWFIPSMKSFNWKL-UHFFFAOYSA-N 0 3 302.462 3.319 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)[C@H](C)c1ccccc1 ZINC001496765327 1185243271 /nfs/dbraw/zinc/24/32/71/1185243271.db2.gz ZZLSOZIXSBFIMN-QGZVFWFLSA-N 0 3 300.446 3.331 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001496846015 1185257494 /nfs/dbraw/zinc/25/74/94/1185257494.db2.gz CXKLUBQACRMIEP-UHFFFAOYSA-N 0 3 318.436 3.286 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCCc2ccccc21 ZINC001497217940 1185298193 /nfs/dbraw/zinc/29/81/93/1185298193.db2.gz YOXYCPUNTBFSOP-PBHICJAKSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1csc(Cl)c1 ZINC001497277437 1185309178 /nfs/dbraw/zinc/30/91/78/1185309178.db2.gz RQRHHNKLCYFBTQ-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C/CN[C@H](C)c1ccc(Cl)cc1 ZINC001497579105 1185356626 /nfs/dbraw/zinc/35/66/26/1185356626.db2.gz MGKUYRZCKWLTQK-MBVDDHJVSA-N 0 3 318.848 3.322 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C/CNCc1cccc(C(F)F)c1 ZINC001497580131 1185356804 /nfs/dbraw/zinc/35/68/04/1185356804.db2.gz SYVIYPGQCQNOGI-ONEGZZNKSA-N 0 3 320.383 3.046 20 30 DGEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C[C@@H]2CC=CCC2)cc1 ZINC001497648752 1185368548 /nfs/dbraw/zinc/36/85/48/1185368548.db2.gz APTKEOXKNCWORY-VGOKWCNXSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2csc(C)c2)C1 ZINC001497675212 1185374475 /nfs/dbraw/zinc/37/44/75/1185374475.db2.gz ZSCNJYGLYGLXBK-SNAWJCMRSA-N 0 3 304.459 3.175 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)cc1 ZINC001498118862 1185437701 /nfs/dbraw/zinc/43/77/01/1185437701.db2.gz QRIAEBMYOXEKNN-KRWDZBQOSA-N 0 3 318.420 3.089 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)cc1 ZINC001498278881 1185462521 /nfs/dbraw/zinc/46/25/21/1185462521.db2.gz GMLJKXMVIIARAC-KRWDZBQOSA-N 0 3 300.446 3.125 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001498317939 1185468977 /nfs/dbraw/zinc/46/89/77/1185468977.db2.gz VYJAYOPVLYZLKA-CGTJXYLNSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H](C)CN(C)CC=C(C)C)c1ccccc1 ZINC001498458035 1185499487 /nfs/dbraw/zinc/49/94/87/1185499487.db2.gz QTJWNOVZSKOJLZ-FUHWJXTLSA-N 0 3 300.446 3.359 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNCc1ocnc1C ZINC001498479441 1185505200 /nfs/dbraw/zinc/50/52/00/1185505200.db2.gz FKSRMHCCEZRNNQ-HOTGVXAUSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001498579916 1185518284 /nfs/dbraw/zinc/51/82/84/1185518284.db2.gz PRRLCOGENJOVAE-UHFFFAOYSA-N 0 3 315.244 3.453 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCCNCc2ncc(C)s2)CC1 ZINC001498607331 1185523600 /nfs/dbraw/zinc/52/36/00/1185523600.db2.gz VOJNSVNWAUXDLS-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cc(C)ccc1F)C1CC1 ZINC001498767461 1185542386 /nfs/dbraw/zinc/54/23/86/1185542386.db2.gz NGGZRULENFGZPM-GOSISDBHSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001499013414 1185592073 /nfs/dbraw/zinc/59/20/73/1185592073.db2.gz SQZQVBQXZWQORD-HOTGVXAUSA-N 0 3 315.461 3.364 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001499031013 1185595419 /nfs/dbraw/zinc/59/54/19/1185595419.db2.gz PHHXXLWIMFAULV-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001499137658 1185619375 /nfs/dbraw/zinc/61/93/75/1185619375.db2.gz QJUHWKGMWXNCAC-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)SC)C1CCN(CC=C(C)C)CC1 ZINC001500034352 1185732980 /nfs/dbraw/zinc/73/29/80/1185732980.db2.gz LRSNSWNWWARPEJ-MRXNPFEDSA-N 0 3 322.518 3.020 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@@H](F)C1)C1CCN(CC(=C)C)CC1 ZINC001500037298 1185733250 /nfs/dbraw/zinc/73/32/50/1185733250.db2.gz DVOFYHGZJJVLIT-DLBZAZTESA-N 0 3 320.452 3.017 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccc(C)cc2)C1 ZINC001500508232 1185810839 /nfs/dbraw/zinc/81/08/39/1185810839.db2.gz DHFHDLYTZCUOLZ-FQEVSTJZSA-N 0 3 314.473 3.332 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc3cnccc3c2)C1 ZINC001500543252 1185819097 /nfs/dbraw/zinc/81/90/97/1185819097.db2.gz VOBKXPYKCRVHAM-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001500553529 1185822551 /nfs/dbraw/zinc/82/25/51/1185822551.db2.gz ZUYRAXXDRHCMRF-AZUAARDMSA-N 0 3 312.457 3.361 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CC1CC1)c1ccccc1CC ZINC001501016040 1185855773 /nfs/dbraw/zinc/85/57/73/1185855773.db2.gz RPDDEOJAQYGIFV-GOSISDBHSA-N 0 3 300.446 3.372 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CC12CC2)c1ccccc1CC ZINC001501022299 1185857728 /nfs/dbraw/zinc/85/77/28/1185857728.db2.gz NXBBULNDNDNWET-QZTJIDSGSA-N 0 3 312.457 3.372 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)c1ccccc1 ZINC001501200032 1185882351 /nfs/dbraw/zinc/88/23/51/1185882351.db2.gz MVTFUCPCELODCL-GOSISDBHSA-N 0 3 320.436 3.042 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001501619829 1185913468 /nfs/dbraw/zinc/91/34/68/1185913468.db2.gz XQVALLMOTWIKKT-BZUAXINKSA-N 0 3 312.885 3.249 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](CC)CC(F)F)cc1 ZINC001501676264 1185920315 /nfs/dbraw/zinc/92/03/15/1185920315.db2.gz JIZYSGUUZDWAKO-ZFWWWQNUSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc[nH]c2CCC)cc1 ZINC001501679954 1185920740 /nfs/dbraw/zinc/92/07/40/1185920740.db2.gz WEQDYHPELMPXDR-OAHLLOKOSA-N 0 3 323.440 3.181 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2CCC=CCC2)cc1 ZINC001501682146 1185922082 /nfs/dbraw/zinc/92/20/82/1185922082.db2.gz YTNQUYUAYHPKPQ-INIZCTEOSA-N 0 3 310.441 3.333 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCCN(Cc2ccsc2)CC1 ZINC001502122109 1185957296 /nfs/dbraw/zinc/95/72/96/1185957296.db2.gz YJURDIDXCWZHQM-MRXNPFEDSA-N 0 3 318.486 3.268 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc2ccccc2c1 ZINC001502392599 1185978929 /nfs/dbraw/zinc/97/89/29/1185978929.db2.gz NIVWBEZPTSZCHR-UHFFFAOYSA-N 0 3 308.425 3.257 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCCC)C1 ZINC001502404291 1185980417 /nfs/dbraw/zinc/98/04/17/1185980417.db2.gz FDCAERKUWSRVLT-MSOLQXFVSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001502522092 1185991782 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C=C(Cl)CNCC1CC(NC(=O)c2ccsc2Cl)C1 ZINC001505523511 1186098683 /nfs/dbraw/zinc/09/86/83/1186098683.db2.gz TWIUKTALODFWMD-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN CCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001505562754 1186104336 /nfs/dbraw/zinc/10/43/36/1186104336.db2.gz SLGMVXBOZIQBBD-GJZGRUSLSA-N 0 3 320.864 3.365 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C)CC(F)(F)C1 ZINC001505843967 1186141792 /nfs/dbraw/zinc/14/17/92/1186141792.db2.gz WBCXAIYQCVERAV-UHFFFAOYSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1occc1Cl ZINC001505833388 1186145889 /nfs/dbraw/zinc/14/58/89/1186145889.db2.gz FUNXHFZYGJUIPM-UHFFFAOYSA-N 0 3 319.232 3.373 20 30 DGEDHN C[C@@H]1C[C@@H]1C(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001506499334 1186233886 /nfs/dbraw/zinc/23/38/86/1186233886.db2.gz JVJSELXHXCUVBP-MJGOQNOKSA-N 0 3 324.468 3.103 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC12CC2 ZINC001506548403 1186245253 /nfs/dbraw/zinc/24/52/53/1186245253.db2.gz IJPGRLSHLJFYTE-MOPGFXCFSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCCc1ccccc1 ZINC001506574808 1186253997 /nfs/dbraw/zinc/25/39/97/1186253997.db2.gz XTKWCXLQDJBBAF-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001506667611 1186271695 /nfs/dbraw/zinc/27/16/95/1186271695.db2.gz SAXRRKXHBCOMHV-QGZVFWFLSA-N 0 3 314.473 3.249 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC/C=C\c2ccccc2)C(C)(C)C1 ZINC001506746637 1186286264 /nfs/dbraw/zinc/28/62/64/1186286264.db2.gz MTHSHXSHFUKPEC-QCSXQHJISA-N 0 3 312.457 3.493 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001506887700 1186304391 /nfs/dbraw/zinc/30/43/91/1186304391.db2.gz OMWMVKSZGDDSDO-QAQDUYKDSA-N 0 3 320.864 3.028 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](C)CCCNCc1ccc(C#N)cc1F ZINC001506919662 1186313054 /nfs/dbraw/zinc/31/30/54/1186313054.db2.gz ZABHHHJZBWKDIN-YLIUPVCFSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(N(C)Cc2scnc2C)CC1 ZINC001506958931 1186324830 /nfs/dbraw/zinc/32/48/30/1186324830.db2.gz PKYCNWGYHJKJKV-UHFFFAOYSA-N 0 3 321.490 3.231 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](CNCc1ccccc1F)C1CC1 ZINC001507017777 1186340778 /nfs/dbraw/zinc/34/07/78/1186340778.db2.gz DHGFIXNPPPYKDW-KRWDZBQOSA-N 0 3 318.436 3.365 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)N[C@H](C)c1ccccc1F ZINC001507070823 1186354744 /nfs/dbraw/zinc/35/47/44/1186354744.db2.gz MKQGCNGVFNJZHK-LSDHHAIUSA-N 0 3 304.409 3.127 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@]1(C)CC=CCC1)NCC#Cc1ccccc1 ZINC001507079576 1186355565 /nfs/dbraw/zinc/35/55/65/1186355565.db2.gz ZXEUCKQJQNRYSG-WIYYLYMNSA-N 0 3 324.468 3.221 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001507076258 1186356412 /nfs/dbraw/zinc/35/64/12/1186356412.db2.gz OQHXWPMWFSEADX-KBPBESRZSA-N 0 3 322.399 3.122 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2cc(C)ccc2F)C[C@@H]1C ZINC001507312769 1186387700 /nfs/dbraw/zinc/38/77/00/1186387700.db2.gz FTGBDCGDQVGXRV-RDJZCZTQSA-N 0 3 316.420 3.017 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001507317581 1186388886 /nfs/dbraw/zinc/38/88/86/1186388886.db2.gz MBMQNLLEGXKDEV-QWHCGFSZSA-N 0 3 322.811 3.003 20 30 DGEDHN C#CCC1(C(=O)N[C@H](CNCCF)C(C)(C)C)CCCCC1 ZINC001508043138 1186473218 /nfs/dbraw/zinc/47/32/18/1186473218.db2.gz KJYFJHLJBBCNPS-OAHLLOKOSA-N 0 3 310.457 3.050 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(C)=C(C)C)CC[C@@H]1C(F)(F)F ZINC001508084499 1186478914 /nfs/dbraw/zinc/47/89/14/1186478914.db2.gz HYMWTQUZVZJKDM-UONOGXRCSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(CC)CC)CC[C@@H]1C(F)(F)F ZINC001508084370 1186479353 /nfs/dbraw/zinc/47/93/53/1186479353.db2.gz HENKKLNADAFAQJ-UONOGXRCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCc2ccc(F)cc2F)C1 ZINC001508136547 1186483924 /nfs/dbraw/zinc/48/39/24/1186483924.db2.gz YBQBAKDJGXROOE-UHFFFAOYSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001508187853 1186487335 /nfs/dbraw/zinc/48/73/35/1186487335.db2.gz PWASDIGCORUIPM-OAHLLOKOSA-N 0 3 314.429 3.109 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001508187853 1186487338 /nfs/dbraw/zinc/48/73/38/1186487338.db2.gz PWASDIGCORUIPM-OAHLLOKOSA-N 0 3 314.429 3.109 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccccc2F)c(F)c1 ZINC001508233267 1186491686 /nfs/dbraw/zinc/49/16/86/1186491686.db2.gz OWWQLHIKHOEZLI-UHFFFAOYSA-N 0 3 316.351 3.170 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cc(C)c(C#N)cn3)cc2)CC1 ZINC001611728035 1193440224 /nfs/dbraw/zinc/44/02/24/1193440224.db2.gz CLILZOUTTRBUPP-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN C=CCN1CCC(Nc2ccc(C#N)c(Br)c2)CC1 ZINC001515460937 1186759804 /nfs/dbraw/zinc/75/98/04/1186759804.db2.gz ZAIOEUQLTBRQEX-UHFFFAOYSA-N 0 3 320.234 3.383 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@H]1CC ZINC001515825795 1186771872 /nfs/dbraw/zinc/77/18/72/1186771872.db2.gz ZKAITYAZSZHMEY-HZPDHXFCSA-N 0 3 317.481 3.042 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCC(=O)c1ccccc1 ZINC001526587739 1187377000 /nfs/dbraw/zinc/37/70/00/1187377000.db2.gz UEKQZNWZOANZSE-OAHLLOKOSA-N 0 3 309.369 3.132 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001526587411 1187377031 /nfs/dbraw/zinc/37/70/31/1187377031.db2.gz OXSGRIBOKZCEPF-IXDOHACOSA-N 0 3 307.397 3.348 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C#CC(C)C ZINC001656434669 1196040170 /nfs/dbraw/zinc/04/01/70/1196040170.db2.gz OGSFOUJKCIJILS-GDBMZVCRSA-N 0 3 310.869 3.005 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001537147960 1188054850 /nfs/dbraw/zinc/05/48/50/1188054850.db2.gz IKIAAZLYYJBCNT-QGZVFWFLSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC001538541201 1188147637 /nfs/dbraw/zinc/14/76/37/1188147637.db2.gz ZSFHBWJLJGOQRB-UHFFFAOYSA-N 0 3 318.461 3.188 20 30 DGEDHN C=CCN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001616577184 1193542401 /nfs/dbraw/zinc/54/24/01/1193542401.db2.gz UNIIWNADHSXRLD-CQSZACIVSA-N 0 3 316.228 3.384 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)c2ccco2)CC1 ZINC001566699912 1188951200 /nfs/dbraw/zinc/95/12/00/1188951200.db2.gz OEPJJPFIGXAIDW-OAHLLOKOSA-N 0 3 304.434 3.272 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001566880587 1188972726 /nfs/dbraw/zinc/97/27/26/1188972726.db2.gz ABNFRGIIJZXCJC-ZWKOTPCHSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCCN1C(C)C ZINC001556215241 1188990181 /nfs/dbraw/zinc/99/01/81/1188990181.db2.gz VNBQJYQUXNDDEG-GOSISDBHSA-N 0 3 316.445 3.396 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001556214687 1188990543 /nfs/dbraw/zinc/99/05/43/1188990543.db2.gz YOPVNPWUSDRLSK-IRXDYDNUSA-N 0 3 316.445 3.396 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1ccc(OC)cc1 ZINC001556465998 1189001834 /nfs/dbraw/zinc/00/18/34/1189001834.db2.gz GCWKIRSYAOHTCH-FOCLMDBBSA-N 0 3 316.445 3.065 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)Oc1ccccc1C ZINC001556466466 1189002352 /nfs/dbraw/zinc/00/23/52/1189002352.db2.gz ZJIUQKLTILHRPG-KRWDZBQOSA-N 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HFIARWXUEHWOFJ-QGZVFWFLSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CCC(F)(F)CC1 ZINC001565828083 1189680704 /nfs/dbraw/zinc/68/07/04/1189680704.db2.gz JNFGFYIHJRILHK-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2cccnc2c1 ZINC001565829866 1189681890 /nfs/dbraw/zinc/68/18/90/1189681890.db2.gz PAZPSJNGAWBZSV-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001565831114 1189682101 /nfs/dbraw/zinc/68/21/01/1189682101.db2.gz ATIZEANGTJRTEK-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ncccc1F ZINC001565830250 1189682995 /nfs/dbraw/zinc/68/29/95/1189682995.db2.gz UDDBDTKHZKHAAF-HNNXBMFYSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(c2cccc(C)c2)CC1 ZINC001565836007 1189685065 /nfs/dbraw/zinc/68/50/65/1189685065.db2.gz ZAUJTGCOHDUULZ-SFHVURJKSA-N 0 3 312.457 3.135 20 30 DGEDHN CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001565839253 1189686429 /nfs/dbraw/zinc/68/64/29/1189686429.db2.gz DDRDMDHOMOSDQB-GHKCJZLPSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@H](NCc2ccc(F)cn2)C1 ZINC001566068088 1189725201 /nfs/dbraw/zinc/72/52/01/1189725201.db2.gz XIVRXSQWJLVGMN-KRWDZBQOSA-N 0 3 319.424 3.048 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)[C@H](C)CC)C2 ZINC001566125903 1189742310 /nfs/dbraw/zinc/74/23/10/1189742310.db2.gz WOQXSNFAKAROFD-CYBMUJFWSA-N 0 3 321.490 3.130 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001566126918 1189742624 /nfs/dbraw/zinc/74/26/24/1189742624.db2.gz FHNBUAAZICBRGU-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C2CC(F)(F)C2)CC1 ZINC001566697033 1189863668 /nfs/dbraw/zinc/86/36/68/1189863668.db2.gz LPDXUJFHRSTGKF-UHFFFAOYSA-N 0 3 314.420 3.311 20 30 DGEDHN CCCCCCC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001566759951 1189893247 /nfs/dbraw/zinc/89/32/47/1189893247.db2.gz FUXWJUHIGDBLJE-HNNXBMFYSA-N 0 3 304.434 3.167 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001566864011 1189927443 /nfs/dbraw/zinc/92/74/43/1189927443.db2.gz TYUWPXYCXJRRLW-XHSDSOJGSA-N 0 3 324.827 3.309 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC001566876903 1189935566 /nfs/dbraw/zinc/93/55/66/1189935566.db2.gz MTWZEGJBKGGBOV-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001566924193 1189955516 /nfs/dbraw/zinc/95/55/16/1189955516.db2.gz JDJSPTWAVCGZRC-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CCC)CCC1 ZINC001566955600 1189967293 /nfs/dbraw/zinc/96/72/93/1189967293.db2.gz OVZIUMPCBCMCPQ-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001566971990 1189977188 /nfs/dbraw/zinc/97/71/88/1189977188.db2.gz ANYIVDKVFNQDPM-HSVFTPOESA-N 0 3 310.441 3.103 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001567045304 1190005786 /nfs/dbraw/zinc/00/57/86/1190005786.db2.gz BTEWMELKMCZHSS-OLZOCXBDSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)NCc2ccc(Cl)s2)C1 ZINC001567052423 1190010757 /nfs/dbraw/zinc/01/07/57/1190010757.db2.gz DCLHHWHIORVINC-NSHDSACASA-N 0 3 312.866 3.352 20 30 DGEDHN C[C@H](CNC(=O)[C@H](C)C1CCCC1)NCc1ccc(C#N)s1 ZINC001567070447 1190018486 /nfs/dbraw/zinc/01/84/86/1190018486.db2.gz XNGGRLXNHKQEEY-CHWSQXEVSA-N 0 3 319.474 3.040 20 30 DGEDHN CC[C@@H](CC(=O)NC[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001567071570 1190019728 /nfs/dbraw/zinc/01/97/28/1190019728.db2.gz SWCRVUFKZGALAO-KBPBESRZSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001567201575 1190066078 /nfs/dbraw/zinc/06/60/78/1190066078.db2.gz CSYPKUSTEICWKA-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001567223512 1190078150 /nfs/dbraw/zinc/07/81/50/1190078150.db2.gz FPEQTCUKVBWDQI-CYBMUJFWSA-N 0 3 319.836 3.327 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccccc1CCC ZINC001567222965 1190078606 /nfs/dbraw/zinc/07/86/06/1190078606.db2.gz ZZPVBGZNSLJKFN-AWEZNQCLSA-N 0 3 308.853 3.490 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1ccncc1Cl ZINC001567228701 1190081473 /nfs/dbraw/zinc/08/14/73/1190081473.db2.gz FTGXWXHVKAHVRQ-SUMWQHHRSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001567302281 1190119388 /nfs/dbraw/zinc/11/93/88/1190119388.db2.gz WFPIISSYGYWSLN-PKOBYXMFSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001567345449 1190142626 /nfs/dbraw/zinc/14/26/26/1190142626.db2.gz WXSLDESMCCBSQO-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001567367130 1190154739 /nfs/dbraw/zinc/15/47/39/1190154739.db2.gz VNXRNYBRJVWMPA-SJLPKXTDSA-N 0 3 316.420 3.360 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001567431459 1190188021 /nfs/dbraw/zinc/18/80/21/1190188021.db2.gz FYIVTZJQJSEECE-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2ccnc(Cl)c2)CC1 ZINC001567556158 1190217878 /nfs/dbraw/zinc/21/78/78/1190217878.db2.gz RUYHCURNLIBGHP-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC001567663370 1190242653 /nfs/dbraw/zinc/24/26/53/1190242653.db2.gz HYYVGCAYYUUYNW-INIZCTEOSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccncc2F)C1 ZINC001567761377 1190290654 /nfs/dbraw/zinc/29/06/54/1190290654.db2.gz OVHWLRIORFKTNR-OAHLLOKOSA-N 0 3 319.424 3.161 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2csnc2C)C1 ZINC001567872146 1190327894 /nfs/dbraw/zinc/32/78/94/1190327894.db2.gz WJHVJYPIHGHJGQ-AWEZNQCLSA-N 0 3 309.479 3.226 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@@H]1CCN(CCCF)C1)c1ccccc1 ZINC001567901753 1190342245 /nfs/dbraw/zinc/34/22/45/1190342245.db2.gz PCFJJGZNSLXQED-QZTJIDSGSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cccn2C)CCCC[C@H]1C ZINC001568036059 1190406263 /nfs/dbraw/zinc/40/62/63/1190406263.db2.gz OSCWJTRBQYGRNP-CXAGYDPISA-N 0 3 323.868 3.046 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNCc1nc(C)sc1C ZINC001568190281 1190447053 /nfs/dbraw/zinc/44/70/53/1190447053.db2.gz GJZOBOGGUWFLKD-SJKOYZFVSA-N 0 3 323.506 3.204 20 30 DGEDHN CC#CCCCC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001568251651 1190462922 /nfs/dbraw/zinc/46/29/22/1190462922.db2.gz WPVHAKHWSAYKET-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](CCCC)C(C)C)CC2 ZINC001568253554 1190463325 /nfs/dbraw/zinc/46/33/25/1190463325.db2.gz JAXMQQCJOKVQFV-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN CC(C)C(=O)NC[C@@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC001568444304 1190524190 /nfs/dbraw/zinc/52/41/90/1190524190.db2.gz QCLAHQMHQRUAIQ-QGZVFWFLSA-N 0 3 320.864 3.078 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(F)ccc1F)C(C)C ZINC001568453743 1190526994 /nfs/dbraw/zinc/52/69/94/1190526994.db2.gz XYUBSODEOXYLAW-CQSZACIVSA-N 0 3 316.779 3.061 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(C)C ZINC001568457183 1190527685 /nfs/dbraw/zinc/52/76/85/1190527685.db2.gz HYLITGSDYGCTTG-QKPAOTATSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1cnc(C)s1)C(C)C ZINC001568461389 1190528851 /nfs/dbraw/zinc/52/88/51/1190528851.db2.gz USGKDUKAXYQGRK-DOTOQJQBSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[C@H](C)CC1)C(C)C ZINC001568466708 1190530767 /nfs/dbraw/zinc/53/07/67/1190530767.db2.gz FFGMOOWJPNFGSO-BPLDGKMQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC001568489033 1190542362 /nfs/dbraw/zinc/54/23/62/1190542362.db2.gz LJXJURNBBGJHJC-WBVHZDCISA-N 0 3 318.461 3.302 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cc(C)ccc1C ZINC001568674334 1190577009 /nfs/dbraw/zinc/57/70/09/1190577009.db2.gz KOECDXNUTXSAGT-OAHLLOKOSA-N 0 3 308.853 3.083 20 30 DGEDHN C#CCNC/C=C/CNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC001568929376 1190601234 /nfs/dbraw/zinc/60/12/34/1190601234.db2.gz ZDTIVOMKBQLMRB-GFOMBABLSA-N 0 3 304.478 3.124 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001569098069 1190620883 /nfs/dbraw/zinc/62/08/83/1190620883.db2.gz CLTGAHVWBVGKPQ-UGZXISOKSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(OC)c1 ZINC001569119535 1190630272 /nfs/dbraw/zinc/63/02/72/1190630272.db2.gz QXMCUIMEBTXQFW-MRXNPFEDSA-N 0 3 318.461 3.296 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC#Cc1ccccc1 ZINC001569153805 1190645489 /nfs/dbraw/zinc/64/54/89/1190645489.db2.gz WYUUKSASUJPLHA-SFHVURJKSA-N 0 3 320.436 3.065 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)Cc1ccccc1C ZINC001569270323 1190659166 /nfs/dbraw/zinc/65/91/66/1190659166.db2.gz RCFIFYYVBDYYOX-OAHLLOKOSA-N 0 3 322.880 3.364 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1cc(C)ns1)C1CC1 ZINC001569304481 1190662861 /nfs/dbraw/zinc/66/28/61/1190662861.db2.gz LWMJEMLEMBJXOC-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN1CCCc1ccccc1C ZINC001569350943 1190672637 /nfs/dbraw/zinc/67/26/37/1190672637.db2.gz SWYQKFSBKZJCEP-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001569362196 1190676372 /nfs/dbraw/zinc/67/63/72/1190676372.db2.gz WZFFBDHPWMMXPG-JSGCOSHPSA-N 0 3 323.387 3.178 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001569373259 1190681235 /nfs/dbraw/zinc/68/12/35/1190681235.db2.gz BPBFJGVJKAHSJM-SFHVURJKSA-N 0 3 314.473 3.293 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001569381630 1190687084 /nfs/dbraw/zinc/68/70/84/1190687084.db2.gz UVRYVEAQRMGNAY-STQMWFEESA-N 0 3 302.409 3.213 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001569402056 1190691628 /nfs/dbraw/zinc/69/16/28/1190691628.db2.gz PDHCVORBSIBNEU-AWEZNQCLSA-N 0 3 304.409 3.481 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001569417249 1190694449 /nfs/dbraw/zinc/69/44/49/1190694449.db2.gz XYPWZHQCLXAUTP-SFHVURJKSA-N 0 3 318.436 3.475 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN(C/C=C/Cl)C1CCCCCC1 ZINC001569448440 1190699978 /nfs/dbraw/zinc/69/99/78/1190699978.db2.gz SVNSPVGRQIAEMY-VIIAAUOXSA-N 0 3 311.857 3.040 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001569706852 1190744375 /nfs/dbraw/zinc/74/43/75/1190744375.db2.gz ANPSGIHVVWGMBJ-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001569724014 1190750246 /nfs/dbraw/zinc/75/02/46/1190750246.db2.gz NXUXLDXNEUMRKH-FXAWDEMLSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CC(C)(C)C ZINC001569913478 1190773040 /nfs/dbraw/zinc/77/30/40/1190773040.db2.gz RTOXZANHSZRJEY-BRWVUGGUSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(C)cc2F)C1 ZINC001570005178 1190780985 /nfs/dbraw/zinc/78/09/85/1190780985.db2.gz KYHAOFLEDCCFON-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCc1ccoc1 ZINC001570025925 1190783948 /nfs/dbraw/zinc/78/39/48/1190783948.db2.gz QBQWBNUAHBUSEF-UHFFFAOYSA-N 0 3 312.413 3.146 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CCC1 ZINC001570121143 1190800319 /nfs/dbraw/zinc/80/03/19/1190800319.db2.gz QGQPSOGONOCGAD-HZPDHXFCSA-N 0 3 304.478 3.101 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001570466706 1190865270 /nfs/dbraw/zinc/86/52/70/1190865270.db2.gz HVYVRLHRAOWRCQ-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1c(Cl)oc2ccccc21 ZINC001570206516 1190820214 /nfs/dbraw/zinc/82/02/14/1190820214.db2.gz VUGYLJSUWJCHBB-UHFFFAOYSA-N 0 3 318.804 3.113 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](C)c1ccccc1C ZINC001570212089 1190822756 /nfs/dbraw/zinc/82/27/56/1190822756.db2.gz SCIBHCQNVDJLBT-SFHVURJKSA-N 0 3 314.473 3.292 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)C1(C)CC1 ZINC001570268500 1190832974 /nfs/dbraw/zinc/83/29/74/1190832974.db2.gz DBNUCEMUFNVMJI-SFHVURJKSA-N 0 3 312.457 3.296 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CCCC)C2 ZINC001570273454 1190834565 /nfs/dbraw/zinc/83/45/65/1190834565.db2.gz QLOXOXIEGDJRAH-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)CC(C)C)C2 ZINC001570274544 1190835151 /nfs/dbraw/zinc/83/51/51/1190835151.db2.gz FWZZJYKOAKYERQ-LJQANCHMSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)CC(C)C)C2 ZINC001570275565 1190835227 /nfs/dbraw/zinc/83/52/27/1190835227.db2.gz YIRUOAXUOKYQLS-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCCCC(C)C)C2 ZINC001570275304 1190835343 /nfs/dbraw/zinc/83/53/43/1190835343.db2.gz UHBUOVMGAGLJOL-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2cscc2C#N)c(F)c1 ZINC001570311959 1190838426 /nfs/dbraw/zinc/83/84/26/1190838426.db2.gz BWIKPDLDIGEBQM-UHFFFAOYSA-N 0 3 303.362 3.073 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001570341962 1190841223 /nfs/dbraw/zinc/84/12/23/1190841223.db2.gz KMUFKIMJQAFGRO-MAUKXSAKSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C(C)(C)C1 ZINC001570400209 1190853368 /nfs/dbraw/zinc/85/33/68/1190853368.db2.gz TURDKFXVUGFOPS-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(F)c(Cl)c1 ZINC001570466217 1190865304 /nfs/dbraw/zinc/86/53/04/1190865304.db2.gz ONMACBPVMCHMPA-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C#CC(C)C ZINC001570476958 1190866805 /nfs/dbraw/zinc/86/68/05/1190866805.db2.gz NDVCENYXFQRYSS-IBGZPJMESA-N 0 3 312.457 3.162 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCCC=C ZINC001570477517 1190867830 /nfs/dbraw/zinc/86/78/30/1190867830.db2.gz VAJFYAZWGJLFSP-HXUWFJFHSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001570542712 1190882010 /nfs/dbraw/zinc/88/20/10/1190882010.db2.gz WGBXRVLXDHMXFA-LPHOPBHVSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001570545636 1190884211 /nfs/dbraw/zinc/88/42/11/1190884211.db2.gz WMPJLOIBKNVVIS-UKRRQHHQSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1sc(C)cc1C ZINC001570544992 1190884276 /nfs/dbraw/zinc/88/42/76/1190884276.db2.gz IXHFWCTYKHGAPD-OAHLLOKOSA-N 0 3 306.475 3.016 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1C ZINC001570706540 1190925252 /nfs/dbraw/zinc/92/52/52/1190925252.db2.gz POCXAPSTGAQWOS-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN CCc1ccc(CN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)cc1 ZINC001570710055 1190925626 /nfs/dbraw/zinc/92/56/26/1190925626.db2.gz AOODJCKGVAMZQL-INIZCTEOSA-N 0 3 314.473 3.235 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC001570709552 1190925806 /nfs/dbraw/zinc/92/58/06/1190925806.db2.gz RETNSCYKHWBELL-CQSZACIVSA-N 0 3 322.399 3.220 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001570728313 1190931974 /nfs/dbraw/zinc/93/19/74/1190931974.db2.gz MQZISQVDKUPAFC-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@H](NCc1cc(C)on1)C(C)C ZINC001570777783 1190948223 /nfs/dbraw/zinc/94/82/23/1190948223.db2.gz VUTUZQVGMOHMMK-INIZCTEOSA-N 0 3 321.465 3.158 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001570886170 1190969892 /nfs/dbraw/zinc/96/98/92/1190969892.db2.gz CLTXXENWCKAEPZ-QFBILLFUSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CCCC[C@H](C)CC)C(C)(C)C1 ZINC001570897461 1190972665 /nfs/dbraw/zinc/97/26/65/1190972665.db2.gz RSSQHWIYOJZYOE-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001571118813 1190983118 /nfs/dbraw/zinc/98/31/18/1190983118.db2.gz ZNRXNPCQCFDULI-KKUMJFAQSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001571152469 1190984097 /nfs/dbraw/zinc/98/40/97/1190984097.db2.gz MFUVQFGLPMPQDM-HOMQSWHASA-N 0 3 318.751 3.068 20 30 DGEDHN CCCCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001571377950 1191007735 /nfs/dbraw/zinc/00/77/35/1191007735.db2.gz VLONHNJSGMZTIE-QGZVFWFLSA-N 0 3 300.446 3.055 20 30 DGEDHN C[C@H](CN(C)C(=O)C(C)(C)C)NCC#Cc1ccc(Cl)cc1 ZINC001571414398 1191019448 /nfs/dbraw/zinc/01/94/48/1191019448.db2.gz OOMKLPHGGUEVSD-CQSZACIVSA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001571514466 1191037284 /nfs/dbraw/zinc/03/72/84/1191037284.db2.gz GKMVWAXJGJIHKH-SJLPKXTDSA-N 0 3 320.477 3.049 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001571521333 1191041870 /nfs/dbraw/zinc/04/18/70/1191041870.db2.gz QHOHYEXZAXGVLR-IEBWSBKVSA-N 0 3 312.457 3.349 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccccc2F)[C@@H]1C ZINC001571526011 1191043504 /nfs/dbraw/zinc/04/35/04/1191043504.db2.gz ZQQQQSHFPHBYEU-YJBOKZPZSA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2csc(C)n2)C1 ZINC001571535810 1191046652 /nfs/dbraw/zinc/04/66/52/1191046652.db2.gz HBIXEOHZLDIJIK-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(C)C ZINC001571613298 1191058725 /nfs/dbraw/zinc/05/87/25/1191058725.db2.gz QDFZPBINHMDQLN-ZWKOTPCHSA-N 0 3 318.505 3.417 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)sc1C)C(C)C ZINC001571613232 1191059351 /nfs/dbraw/zinc/05/93/51/1191059351.db2.gz NQQGUOVXVAMHJI-UHFFFAOYSA-N 0 3 306.475 3.171 20 30 DGEDHN CC(C)(C)[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC1CC1 ZINC001571616416 1191063873 /nfs/dbraw/zinc/06/38/73/1191063873.db2.gz CMASDWAFXCJIHE-OAHLLOKOSA-N 0 3 319.474 3.040 20 30 DGEDHN C#CCCCC(=O)N[C@@H](CNCc1ccccc1F)C(C)(C)C ZINC001571622839 1191066894 /nfs/dbraw/zinc/06/68/94/1191066894.db2.gz FKLSHWKEDFRLLJ-KRWDZBQOSA-N 0 3 318.436 3.250 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C(C2CCC2)C2CCC2)CC1 ZINC001571645199 1191073452 /nfs/dbraw/zinc/07/34/52/1191073452.db2.gz VOOHSVAAJWVFAG-OAHLLOKOSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](CC)CC(C)C)CC2)CC1 ZINC001571669735 1191081248 /nfs/dbraw/zinc/08/12/48/1191081248.db2.gz MDYVBUWTNWXYPA-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2cccc(Cl)c2)CC1 ZINC001571691227 1191083794 /nfs/dbraw/zinc/08/37/94/1191083794.db2.gz DVVDJQLNHGMVKO-UHFFFAOYSA-N 0 3 318.848 3.207 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H](N)CC1CCCCC1)c1ccc(Cl)cc1 ZINC001574503730 1191445320 /nfs/dbraw/zinc/44/53/20/1191445320.db2.gz CCGRLAFARBDVKX-IAGOWNOFSA-N 0 3 318.848 3.428 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC001574856532 1191454840 /nfs/dbraw/zinc/45/48/40/1191454840.db2.gz BHMVPRNTCOKOFN-NSHDSACASA-N 0 3 310.184 3.297 20 30 DGEDHN C=CCC1(C(=O)Nc2ccc3c(c2)OCCNC3)CCCC1 ZINC001574897878 1191456429 /nfs/dbraw/zinc/45/64/29/1191456429.db2.gz ZOPOBXHKYBZOGB-UHFFFAOYSA-N 0 3 300.402 3.244 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC001574903326 1191458080 /nfs/dbraw/zinc/45/80/80/1191458080.db2.gz PBQUCQOHQYXTLU-DGCLKSJQSA-N 0 3 303.431 3.157 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N(Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001574963519 1191460712 /nfs/dbraw/zinc/46/07/12/1191460712.db2.gz WESIEXZXOJGEJI-MRXNPFEDSA-N 0 3 324.827 3.204 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2ccsc21 ZINC001618814209 1193753153 /nfs/dbraw/zinc/75/31/53/1193753153.db2.gz PPAONVRWCGQAHA-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001618813650 1193753346 /nfs/dbraw/zinc/75/33/46/1193753346.db2.gz LHPJRPAJHWPBMW-LBPRGKRZSA-N 0 3 314.882 3.471 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001618822650 1193754014 /nfs/dbraw/zinc/75/40/14/1193754014.db2.gz QXBHXYCFMNVDFM-JKSUJKDBSA-N 0 3 322.399 3.035 20 30 DGEDHN COC(=O)c1ccc([C@@H]2CCCCN2CCCCC#N)n1C ZINC001620672212 1193789516 /nfs/dbraw/zinc/78/95/16/1193789516.db2.gz BKXZNCSTELGRMB-HNNXBMFYSA-N 0 3 303.406 3.033 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NC[C@H]2CCCCN2C)c1 ZINC001623033727 1193918458 /nfs/dbraw/zinc/91/84/58/1193918458.db2.gz KYMLJBQNPPHBOL-MRXNPFEDSA-N 0 3 317.433 3.247 20 30 DGEDHN C#C[C@@H](NC(=O)C1(N(C)C)CCCC1)c1ccc(Cl)cc1F ZINC001623825252 1193967704 /nfs/dbraw/zinc/96/77/04/1193967704.db2.gz AXDGSLTZUYWAGH-OAHLLOKOSA-N 0 3 322.811 3.144 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1csc2ccccc21 ZINC001626744259 1194092950 /nfs/dbraw/zinc/09/29/50/1194092950.db2.gz BCAFNEABZPYBSC-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001626744306 1194093050 /nfs/dbraw/zinc/09/30/50/1194093050.db2.gz CLOXJKXFNLMWDJ-UONOGXRCSA-N 0 3 320.399 3.321 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC001631770007 1194354902 /nfs/dbraw/zinc/35/49/02/1194354902.db2.gz DKRXCHQGOURCQI-UHFFFAOYSA-N 0 3 324.399 3.011 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001634783940 1194516199 /nfs/dbraw/zinc/51/61/99/1194516199.db2.gz ZIMBJNVGJUNGJC-MJGOQNOKSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1SCCc2sccc21 ZINC001635757774 1194570252 /nfs/dbraw/zinc/57/02/52/1194570252.db2.gz LJFJPXVZDBBGGD-OAHLLOKOSA-N 0 3 324.515 3.045 20 30 DGEDHN C=CC(C)(C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001637101700 1194650208 /nfs/dbraw/zinc/65/02/08/1194650208.db2.gz RTUZWNAWNFUXJA-MRXNPFEDSA-N 0 3 314.473 3.410 20 30 DGEDHN C#CCN(CCCCCC(=O)OCC)Cc1ccc(F)cc1 ZINC001641657360 1194865333 /nfs/dbraw/zinc/86/53/33/1194865333.db2.gz ZQASDVSFIFFKMK-UHFFFAOYSA-N 0 3 305.393 3.384 20 30 DGEDHN Cc1nsc(N2CCN(C[C@H]3CCC[C@@H](C)C3)CC2)c1C#N ZINC001643266516 1195008981 /nfs/dbraw/zinc/00/89/81/1195008981.db2.gz LJHPPXOCHSWJIC-HIFRSBDPSA-N 0 3 318.490 3.272 20 30 DGEDHN C=C(CC)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001643463478 1195026310 /nfs/dbraw/zinc/02/63/10/1195026310.db2.gz ZZFJUQAJDCMFGN-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCCCCN1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001644514260 1195114519 /nfs/dbraw/zinc/11/45/19/1195114519.db2.gz DEYBRVHPQKIDHE-UHFFFAOYSA-N 0 3 300.406 3.130 20 30 DGEDHN Cc1nsc(N2CCN(C[C@H]3CCCC[C@@H]3C)CC2)c1C#N ZINC001645950795 1195208897 /nfs/dbraw/zinc/20/88/97/1195208897.db2.gz SOTITVSDLCCLBK-DZGCQCFKSA-N 0 3 318.490 3.272 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC001646392874 1195226925 /nfs/dbraw/zinc/22/69/25/1195226925.db2.gz QWAYJTNLYSCHLJ-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001648054295 1195273723 /nfs/dbraw/zinc/27/37/23/1195273723.db2.gz UFWUPIOMJVDJOZ-AWEZNQCLSA-N 0 3 308.381 3.053 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3ccc4[nH]ccc4c3)CC2)C1=O ZINC001648538143 1195307084 /nfs/dbraw/zinc/30/70/84/1195307084.db2.gz CYMDKKGYCQSIEK-LJQANCHMSA-N 0 3 323.440 3.134 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001649461722 1195345405 /nfs/dbraw/zinc/34/54/05/1195345405.db2.gz GOTIVWDBJSJVOQ-NWDGAFQWSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nc(C)cs2)C[C@H]1C ZINC001671245650 1195357674 /nfs/dbraw/zinc/35/76/74/1195357674.db2.gz OHXIVOHSNVFBJX-CABCVRRESA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCNC(=O)CNCc1ccc(N(CC)c2ccccc2)cc1 ZINC001650855204 1195389350 /nfs/dbraw/zinc/38/93/50/1195389350.db2.gz QMELEWGIOBGCKW-UHFFFAOYSA-N 0 3 323.440 3.236 20 30 DGEDHN CC[C@H]1CN(c2cc(C)ncc2C#N)CCN1Cc1ccccc1 ZINC001650953999 1195398325 /nfs/dbraw/zinc/39/83/25/1195398325.db2.gz SIQZGAFAFRVUJW-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN C#CCC[C@@H](O)CNCc1cc(C(F)(F)F)ccc1Cl ZINC001651499958 1195471311 /nfs/dbraw/zinc/47/13/11/1195471311.db2.gz VVTVJBZEDXEETE-GFCCVEGCSA-N 0 3 305.727 3.223 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)ccc2N(C)C)C1(C)C ZINC001651750577 1195506011 /nfs/dbraw/zinc/50/60/11/1195506011.db2.gz IPDFLOUOOIAHCO-ZWKOTPCHSA-N 0 3 315.461 3.260 20 30 DGEDHN C=C[C@@H](C(=O)N1CCN(C2CCCC2)[C@@H](C)C1)c1ccccc1 ZINC001651773795 1195508466 /nfs/dbraw/zinc/50/84/66/1195508466.db2.gz AODXLMWOTUALLG-QFBILLFUSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCN(C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC001652146466 1195553231 /nfs/dbraw/zinc/55/32/31/1195553231.db2.gz NQWOPXJADBBMPX-ZDUSSCGKSA-N 0 3 316.392 3.282 20 30 DGEDHN C#CCOCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001653906141 1195758935 /nfs/dbraw/zinc/75/89/35/1195758935.db2.gz BBQABJPUMJUUCY-JTQLQIEISA-N 0 3 303.736 3.242 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(CCc1ccc(Cl)cc1)C2 ZINC001655001370 1195863160 /nfs/dbraw/zinc/86/31/60/1195863160.db2.gz IXRPRKWICSPQOP-UHFFFAOYSA-N 0 3 317.845 3.456 20 30 DGEDHN CC(C)[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCN1C ZINC001655363711 1195908459 /nfs/dbraw/zinc/90/84/59/1195908459.db2.gz YCGZVXXWOONPIH-MRXNPFEDSA-N 0 3 321.852 3.014 20 30 DGEDHN CCN1CC[C@H]1CNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC001655796237 1195963156 /nfs/dbraw/zinc/96/31/56/1195963156.db2.gz QUHJMNXIZFPQMN-AWEZNQCLSA-N 0 3 319.412 3.174 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001656094299 1196000550 /nfs/dbraw/zinc/00/05/50/1196000550.db2.gz YNTZQJQALNGXTE-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCC(=C)C)CCCCC1 ZINC001656112882 1196004834 /nfs/dbraw/zinc/00/48/34/1196004834.db2.gz LXHPHHJSWKOWAT-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001656157282 1196011618 /nfs/dbraw/zinc/01/16/18/1196011618.db2.gz MDWBTNSUQYQELR-SVFBPWRDSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001656160783 1196012157 /nfs/dbraw/zinc/01/21/57/1196012157.db2.gz SIWTXBLYIIBOIX-YQQAZPJKSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001656203411 1196017041 /nfs/dbraw/zinc/01/70/41/1196017041.db2.gz JTZLNVUMTJHDSY-CTYIDZIISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@]2(C)CCC[C@@H]2CC)C1 ZINC001656207046 1196017131 /nfs/dbraw/zinc/01/71/31/1196017131.db2.gz METRKOWLFSRQCE-JKQORVJESA-N 0 3 312.885 3.440 20 30 DGEDHN C=CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC001657236876 1196121889 /nfs/dbraw/zinc/12/18/89/1196121889.db2.gz HGUBLOVLQQWKTL-HXUWFJFHSA-N 0 3 323.440 3.325 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)ccnc1Cl ZINC001657938958 1196195625 /nfs/dbraw/zinc/19/56/25/1196195625.db2.gz PNJADAUXMYRDFK-MFKMUULPSA-N 0 3 301.217 3.459 20 30 DGEDHN C=CCN(CCOC)Cc1ccccc1-n1nnc2ccccc21 ZINC001657995998 1196199646 /nfs/dbraw/zinc/19/96/46/1196199646.db2.gz HLPKGOLZYNLBBX-UHFFFAOYSA-N 0 3 322.412 3.055 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1cccn(C(F)F)c1=O ZINC001658325082 1196241802 /nfs/dbraw/zinc/24/18/02/1196241802.db2.gz VYXOMRUMORCVTI-UHFFFAOYSA-N 0 3 304.340 3.432 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001658362049 1196246810 /nfs/dbraw/zinc/24/68/10/1196246810.db2.gz JWSJMGMMQHLFRD-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN N#CC1(c2ccc(CN[C@@H]3CCCCC34OCCO4)cc2)CC1 ZINC001659089051 1196343184 /nfs/dbraw/zinc/34/31/84/1196343184.db2.gz DBEPHUUKZPODDX-QGZVFWFLSA-N 0 3 312.413 3.017 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](C)Cc2ccccc2C)C1 ZINC001659352304 1196374363 /nfs/dbraw/zinc/37/43/63/1196374363.db2.gz JVEQOZSIRMJXDF-QZTJIDSGSA-N 0 3 314.473 3.330 20 30 DGEDHN CCOC(=O)[C@]12CCC[C@H]1C[C@H](NCC1(C#N)CCCC1)C2 ZINC001659574407 1196397399 /nfs/dbraw/zinc/39/73/99/1196397399.db2.gz SPCUBYHVOJGAQC-MPGHIAIKSA-N 0 3 304.434 3.172 20 30 DGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCOCC2)C12CCCCC2 ZINC001660206257 1196457238 /nfs/dbraw/zinc/45/72/38/1196457238.db2.gz PUZPEHHAAAZSRB-CVEARBPZSA-N 0 3 306.450 3.024 20 30 DGEDHN CC(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001660426154 1196481786 /nfs/dbraw/zinc/48/17/86/1196481786.db2.gz MOLZIDALDLHBFN-RDTXWAMCSA-N 0 3 318.848 3.071 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001660426229 1196481937 /nfs/dbraw/zinc/48/19/37/1196481937.db2.gz NGOHIFPDTLZKMX-CABCVRRESA-N 0 3 323.868 3.059 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCC(F)F ZINC001660447254 1196485636 /nfs/dbraw/zinc/48/56/36/1196485636.db2.gz OOZCTYZZNXHJBO-VXGBXAGGSA-N 0 3 308.800 3.143 20 30 DGEDHN N#Cc1cccc(OCCCN2CCCC[C@@]23CCCOC3)c1 ZINC001660702090 1196514357 /nfs/dbraw/zinc/51/43/57/1196514357.db2.gz YXDJCVJJDQCXPT-IBGZPJMESA-N 0 3 314.429 3.362 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2cc(C)c(C)o2)CC1 ZINC001661086823 1196564368 /nfs/dbraw/zinc/56/43/68/1196564368.db2.gz LPEACJOLICVAQK-UHFFFAOYSA-N 0 3 316.445 3.236 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)c2cccnc2)CC1 ZINC001661096979 1196565462 /nfs/dbraw/zinc/56/54/62/1196565462.db2.gz GNEYNILTRVMLAJ-MRXNPFEDSA-N 0 3 315.461 3.074 20 30 DGEDHN C#CCCCC(=O)NC[C@H](NCc1cc2ccccc2o1)C1CC1 ZINC001661122444 1196570332 /nfs/dbraw/zinc/57/03/32/1196570332.db2.gz PKBRAQJBHJLDCA-SFHVURJKSA-N 0 3 324.424 3.221 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001661239699 1196587060 /nfs/dbraw/zinc/58/70/60/1196587060.db2.gz JBTKBPGPVOBENG-BMFZPTHFSA-N 0 3 304.459 3.392 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCCC2 ZINC001661266359 1196590386 /nfs/dbraw/zinc/59/03/86/1196590386.db2.gz AYQKEULORQOLNA-VXIBKDFQSA-N 0 3 302.462 3.208 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001661417216 1196603350 /nfs/dbraw/zinc/60/33/50/1196603350.db2.gz DGQLMPFLQIBZQZ-KKUMJFAQSA-N 0 3 318.848 3.297 20 30 DGEDHN Cn1c(CNCc2cccc(OCC#N)c2)cc2ccccc21 ZINC001661428638 1196604675 /nfs/dbraw/zinc/60/46/75/1196604675.db2.gz AEOJHEWIVOPTLC-UHFFFAOYSA-N 0 3 305.381 3.370 20 30 DGEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001661522940 1196615614 /nfs/dbraw/zinc/61/56/14/1196615614.db2.gz BLBWFBMFNABKHW-YHWZYXNKSA-N 0 3 304.356 3.017 20 30 DGEDHN O=C(C=C1CCCCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001661572892 1196621056 /nfs/dbraw/zinc/62/10/56/1196621056.db2.gz MTMOZTDGSWKHAL-BGYRXZFFSA-N 0 3 322.452 3.165 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001661751897 1196640350 /nfs/dbraw/zinc/64/03/50/1196640350.db2.gz ABPSPYVJSOHYFL-ZWKOTPCHSA-N 0 3 318.505 3.444 20 30 DGEDHN O=C(CCC1CC1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001661910353 1196662211 /nfs/dbraw/zinc/66/22/11/1196662211.db2.gz PYQNZIZALRTHTI-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCCCC ZINC001661977596 1196670226 /nfs/dbraw/zinc/67/02/26/1196670226.db2.gz NBLOVODIEIETFB-ROUUACIJSA-N 0 3 304.478 3.436 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001661990562 1196671562 /nfs/dbraw/zinc/67/15/62/1196671562.db2.gz WBLSHKJIFNUNQL-TWPWWVQHSA-N 0 3 324.468 3.025 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001662851271 1196761471 /nfs/dbraw/zinc/76/14/71/1196761471.db2.gz QMNWVWMZOXOPCH-PMACEKPBSA-N 0 3 324.468 3.126 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001662851274 1196762075 /nfs/dbraw/zinc/76/20/75/1196762075.db2.gz QMNWVWMZOXOPCH-WOJBJXKFSA-N 0 3 324.468 3.126 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC001662898214 1196769768 /nfs/dbraw/zinc/76/97/68/1196769768.db2.gz AURHGLQECTUDQC-OLZOCXBDSA-N 0 3 310.388 3.476 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001663166880 1196803143 /nfs/dbraw/zinc/80/31/43/1196803143.db2.gz ZGVQMNNAGPKOPT-SFHVURJKSA-N 0 3 316.420 3.055 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@H]1CCc2ccc(Cl)cc21 ZINC001663172317 1196804339 /nfs/dbraw/zinc/80/43/39/1196804339.db2.gz WAVCZGXWPQFHAD-KRWDZBQOSA-N 0 3 318.848 3.179 20 30 DGEDHN CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)C#CC2CC2)cc1 ZINC001663175923 1196804763 /nfs/dbraw/zinc/80/47/63/1196804763.db2.gz KEILAVZBWIPNOA-MRXNPFEDSA-N 0 3 312.457 3.332 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC001663476360 1196881778 /nfs/dbraw/zinc/88/17/78/1196881778.db2.gz UFCFQKXGXVDYBL-WMLDXEAASA-N 0 3 304.409 3.434 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2ccccc2c1 ZINC001663483494 1196883351 /nfs/dbraw/zinc/88/33/51/1196883351.db2.gz YSYXSQVZDMSVSK-BEFAXECRSA-N 0 3 321.424 3.080 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@H]1CCCCC1(C)C ZINC001663695974 1196930766 /nfs/dbraw/zinc/93/07/66/1196930766.db2.gz DAKDMVQDKRBQRI-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccn(C(C)C)c1C)C1CC1 ZINC001663750044 1196940577 /nfs/dbraw/zinc/94/05/77/1196940577.db2.gz YEJXBPTXWAUQME-UHFFFAOYSA-N 0 3 303.450 3.148 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1scnc1C(C)C)C1CC1 ZINC001663761101 1196941738 /nfs/dbraw/zinc/94/17/38/1196941738.db2.gz HSBVVTFZTYLMTA-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)Cc1occc1C)c1ccccc1 ZINC001664593468 1197019109 /nfs/dbraw/zinc/01/91/09/1197019109.db2.gz YLRIFFYTEOFSCS-KRWDZBQOSA-N 0 3 312.413 3.154 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC001664597749 1197019179 /nfs/dbraw/zinc/01/91/79/1197019179.db2.gz FCVDTDKAZUJYRD-QZTJIDSGSA-N 0 3 310.441 3.037 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](CC)CC(C)C)C1 ZINC001664685507 1197034740 /nfs/dbraw/zinc/03/47/40/1197034740.db2.gz CBYNBPSNFAHOTA-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001664695821 1197039417 /nfs/dbraw/zinc/03/94/17/1197039417.db2.gz SSABHWIOCXDNOI-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001664695821 1197039420 /nfs/dbraw/zinc/03/94/20/1197039420.db2.gz SSABHWIOCXDNOI-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN CC/C=C(\C)C(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001664700499 1197040597 /nfs/dbraw/zinc/04/05/97/1197040597.db2.gz KNPTXHVAIKSCPG-DMGNWNAPSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@H]1CCN(Cc2cncs2)C1 ZINC001664716369 1197042632 /nfs/dbraw/zinc/04/26/32/1197042632.db2.gz BXMHVFPFOXIIRS-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CC[C@@H](C(=O)NCC[C@@H]1CCN(CCF)C1)c1ccccc1 ZINC001664760730 1197053866 /nfs/dbraw/zinc/05/38/66/1197053866.db2.gz XWKMWVXTNWQTGE-SJLPKXTDSA-N 0 3 318.436 3.144 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001664812175 1197061841 /nfs/dbraw/zinc/06/18/41/1197061841.db2.gz NEGAVOZIRLEXJE-MRXNPFEDSA-N 0 3 318.436 3.462 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001664812174 1197062473 /nfs/dbraw/zinc/06/24/73/1197062473.db2.gz NEGAVOZIRLEXJE-INIZCTEOSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC001665198515 1197107692 /nfs/dbraw/zinc/10/76/92/1197107692.db2.gz GAPPNFFUBYBMTM-ZDUSSCGKSA-N 0 3 302.418 3.467 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)c3n2CCCC3)C1 ZINC001665199707 1197108179 /nfs/dbraw/zinc/10/81/79/1197108179.db2.gz YMLDQSJADZFWOK-HNNXBMFYSA-N 0 3 316.445 3.399 20 30 DGEDHN C=CCCC(=O)NCC1CN(CCc2ccc3ccccc3c2)C1 ZINC001665262536 1197115937 /nfs/dbraw/zinc/11/59/37/1197115937.db2.gz CKRQCGGYTLEAHJ-UHFFFAOYSA-N 0 3 322.452 3.397 20 30 DGEDHN CC(C)CCO[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC001665355330 1197127315 /nfs/dbraw/zinc/12/73/15/1197127315.db2.gz PDMNAGDGDXBXEL-GOSISDBHSA-N 0 3 315.461 3.261 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CC2)C1 ZINC001665413638 1197134311 /nfs/dbraw/zinc/13/43/11/1197134311.db2.gz WIYPFQMRYLBKKU-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC)c1ccccc1 ZINC001665436692 1197136147 /nfs/dbraw/zinc/13/61/47/1197136147.db2.gz XVVVBCZOHYYGGZ-GBESFXJTSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001665605685 1197157638 /nfs/dbraw/zinc/15/76/38/1197157638.db2.gz JPYJQALGHNXBDC-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001665605685 1197157641 /nfs/dbraw/zinc/15/76/41/1197157641.db2.gz JPYJQALGHNXBDC-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696687 1197174738 /nfs/dbraw/zinc/17/47/38/1197174738.db2.gz CFFPFNOGMVKOHR-HOTGVXAUSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696687 1197174746 /nfs/dbraw/zinc/17/47/46/1197174746.db2.gz CFFPFNOGMVKOHR-HOTGVXAUSA-N 0 3 316.445 3.283 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cccc(Cl)c2)C1 ZINC001665730546 1197182296 /nfs/dbraw/zinc/18/22/96/1197182296.db2.gz DBYHRSZWJGFSRF-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)c2ccsc2)C1 ZINC001665732543 1197182952 /nfs/dbraw/zinc/18/29/52/1197182952.db2.gz VLZYQMYINXNHFE-ZBFHGGJFSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001665865847 1197208656 /nfs/dbraw/zinc/20/86/56/1197208656.db2.gz RJRMOIALVXLKLO-MRXNPFEDSA-N 0 3 303.450 3.191 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccoc1CC)C1CC1 ZINC001665990392 1197224960 /nfs/dbraw/zinc/22/49/60/1197224960.db2.gz FHAJNWDZGWEYEX-INIZCTEOSA-N 0 3 310.825 3.083 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)c1ccccc1)C1CC1 ZINC001666031536 1197229038 /nfs/dbraw/zinc/22/90/38/1197229038.db2.gz CHUODBGSSGGORA-KBXCAEBGSA-N 0 3 320.864 3.417 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2cnoc2C)CCCC[C@H]1C ZINC001666048186 1197230989 /nfs/dbraw/zinc/23/09/89/1197230989.db2.gz CQHYDIHFAAYWEM-KDOFPFPSSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 ZINC001666344016 1197253975 /nfs/dbraw/zinc/25/39/75/1197253975.db2.gz ASTHKONNFMOVCA-RTBURBONSA-N 0 3 324.468 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccoc2CCC)cc1 ZINC001666347610 1197254208 /nfs/dbraw/zinc/25/42/08/1197254208.db2.gz PLGDIODMPFFOGM-UHFFFAOYSA-N 0 3 324.424 3.275 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl ZINC001666615490 1197273546 /nfs/dbraw/zinc/27/35/46/1197273546.db2.gz GHPWCORPNBLBFG-NLKODUOSSA-N 0 3 307.265 3.250 20 30 DGEDHN CCCC1(C(=O)N(C)[C@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001666988416 1197305866 /nfs/dbraw/zinc/30/58/66/1197305866.db2.gz XNHAJRBGKHWVFM-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001667226868 1197331307 /nfs/dbraw/zinc/33/13/07/1197331307.db2.gz MRMQOBCWAUXMIZ-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001667226869 1197331573 /nfs/dbraw/zinc/33/15/73/1197331573.db2.gz MRMQOBCWAUXMIZ-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cnoc1C ZINC001667375286 1197342008 /nfs/dbraw/zinc/34/20/08/1197342008.db2.gz RYYLOXTVYRAZNC-PBHICJAKSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1sc(C)cc1C)C(C)C ZINC001667463140 1197351153 /nfs/dbraw/zinc/35/11/53/1197351153.db2.gz CBWKUBHSZPLJSR-CYBMUJFWSA-N 0 3 314.882 3.461 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2ccccc2nc1C ZINC001667575051 1197363292 /nfs/dbraw/zinc/36/32/92/1197363292.db2.gz QHXUEYDVGHNTFG-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNCc1nccs1 ZINC001667726435 1197383076 /nfs/dbraw/zinc/38/30/76/1197383076.db2.gz FPOUWKFQBCFOOA-KGLIPLIRSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2oc(C)nc2C)CCC1 ZINC001668203432 1197404565 /nfs/dbraw/zinc/40/45/65/1197404565.db2.gz PRPGHWLDMLZBCP-ZDUSSCGKSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(F)cc1Cl ZINC001668296190 1197408802 /nfs/dbraw/zinc/40/88/02/1197408802.db2.gz YGPOQBNNAODFSC-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)c1cccc(F)c1 ZINC001668314435 1197409276 /nfs/dbraw/zinc/40/92/76/1197409276.db2.gz FUNTXBZSOXMCMZ-CHWSQXEVSA-N 0 3 312.816 3.166 20 30 DGEDHN C#CCCCC(=O)N(CC)CCN[C@H](C)c1ccccc1F ZINC001668415378 1197413973 /nfs/dbraw/zinc/41/39/73/1197413973.db2.gz KURQDMZENZVEJI-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1cc(C)sc1C ZINC001668979587 1197436027 /nfs/dbraw/zinc/43/60/27/1197436027.db2.gz WMVVKUVDMYRULY-BQYQJAHWSA-N 0 3 306.475 3.339 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001669446841 1197455226 /nfs/dbraw/zinc/45/52/26/1197455226.db2.gz ZOEVUAONJDKHJA-QZTJIDSGSA-N 0 3 314.473 3.205 20 30 DGEDHN Cc1ccc(C)c(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c1 ZINC001669458214 1197455884 /nfs/dbraw/zinc/45/58/84/1197455884.db2.gz PXLSGIHBIBCBJR-GOSISDBHSA-N 0 3 320.436 3.063 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669783349 1197482299 /nfs/dbraw/zinc/48/22/99/1197482299.db2.gz TYIIZSYTHDZEPT-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC001669805690 1197485364 /nfs/dbraw/zinc/48/53/64/1197485364.db2.gz DTNXQPRWNCWHDY-HUUCEWRRSA-N 0 3 320.864 3.497 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc(C(F)(F)F)c1 ZINC001669837987 1197489519 /nfs/dbraw/zinc/48/95/19/1197489519.db2.gz FOSCXGUWMAUFNH-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001669862942 1197493069 /nfs/dbraw/zinc/49/30/69/1197493069.db2.gz RPFPIZIATKUFPC-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001669863016 1197493269 /nfs/dbraw/zinc/49/32/69/1197493269.db2.gz SMIVDCTUKOHWFC-AWEZNQCLSA-N 0 3 306.425 3.017 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CCCc2ccsc2)CC1 ZINC001671419027 1197539411 /nfs/dbraw/zinc/53/94/11/1197539411.db2.gz JXBPXEJERHTLCA-UHFFFAOYSA-N 0 3 318.486 3.065 20 30 DGEDHN C#CCN(C(=O)C1(F)CCCCC1)C1CCN(CC(=C)C)CC1 ZINC001671500000 1197543219 /nfs/dbraw/zinc/54/32/19/1197543219.db2.gz MRPNNNXKNCLTHV-UHFFFAOYSA-N 0 3 320.452 3.161 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C=C(CC)CC)C2 ZINC001671593005 1197550661 /nfs/dbraw/zinc/55/06/61/1197550661.db2.gz CVRNIUWRMILYPT-FQEVSTJZSA-N 0 3 316.489 3.461 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)CCC)C2 ZINC001671599292 1197551502 /nfs/dbraw/zinc/55/15/02/1197551502.db2.gz VQHWURIWFBGROQ-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001671863113 1197576053 /nfs/dbraw/zinc/57/60/53/1197576053.db2.gz TVUVNUMOMDLRTA-KRWDZBQOSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001671913029 1197584737 /nfs/dbraw/zinc/58/47/37/1197584737.db2.gz WZXOYDFSHZHMTO-BEFAXECRSA-N 0 3 318.436 3.334 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001672903054 1197627593 /nfs/dbraw/zinc/62/75/93/1197627593.db2.gz VVHAEEHPRKRYDA-MRXNPFEDSA-N 0 3 320.864 3.498 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CC(C)(C)C)cc1 ZINC001672933945 1197629644 /nfs/dbraw/zinc/62/96/44/1197629644.db2.gz OZOVFINWWOWPLT-OAHLLOKOSA-N 0 3 300.446 3.413 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(Cl)nc2)CCC1 ZINC001673171904 1197641227 /nfs/dbraw/zinc/64/12/27/1197641227.db2.gz DPDZYHZBMBQZGY-UHFFFAOYSA-N 0 3 321.852 3.220 20 30 DGEDHN CC#CCNC1(CNC(=O)CC[C@@H](C)c2ccccc2)CCC1 ZINC001673219445 1197645023 /nfs/dbraw/zinc/64/50/23/1197645023.db2.gz XXTNSZOCLUVRAC-QGZVFWFLSA-N 0 3 312.457 3.222 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C=C1CCC1 ZINC001673633814 1197681232 /nfs/dbraw/zinc/68/12/32/1197681232.db2.gz LCVXHZRBCWTAMY-IBGZPJMESA-N 0 3 310.441 3.216 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001673872161 1197699925 /nfs/dbraw/zinc/69/99/25/1197699925.db2.gz MAADTCKWZPLRDW-PKOBYXMFSA-N 0 3 324.468 3.077 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001673872542 1197699978 /nfs/dbraw/zinc/69/99/78/1197699978.db2.gz QRYRXIZXVVWMOZ-DYVFJYSZSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC001673977680 1197714798 /nfs/dbraw/zinc/71/47/98/1197714798.db2.gz XQAQCXKTMBYQDY-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001674139423 1197737187 /nfs/dbraw/zinc/73/71/87/1197737187.db2.gz ARUUAJZMASIQDW-RDJZCZTQSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CCC(C2CC2)CC1 ZINC001674254946 1197752715 /nfs/dbraw/zinc/75/27/15/1197752715.db2.gz GHGQZVHJGWZBSM-JEYLPNPQSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001674425027 1197771270 /nfs/dbraw/zinc/77/12/70/1197771270.db2.gz MOCCHKUYUXXGAU-RTBURBONSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CC(C)(C)CC(F)F ZINC001674470522 1197781741 /nfs/dbraw/zinc/78/17/41/1197781741.db2.gz XZRGNQJVZJWGDP-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001674620062 1197804680 /nfs/dbraw/zinc/80/46/80/1197804680.db2.gz XSMGGPFQSPKJSK-UHFFFAOYSA-N 0 3 312.885 3.296 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001674624506 1197807574 /nfs/dbraw/zinc/80/75/74/1197807574.db2.gz BXBYDYIYWAGGGP-OLZOCXBDSA-N 0 3 307.463 3.039 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001674653497 1197822074 /nfs/dbraw/zinc/82/20/74/1197822074.db2.gz KXTSAJCZHSZYQK-HOTGVXAUSA-N 0 3 318.436 3.311 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1OC ZINC001674717010 1197845349 /nfs/dbraw/zinc/84/53/49/1197845349.db2.gz RFUXEIBPXBKYOR-HUUCEWRRSA-N 0 3 318.461 3.199 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001674772576 1197868370 /nfs/dbraw/zinc/86/83/70/1197868370.db2.gz HXFWCAWXSFGMJC-QWHCGFSZSA-N 0 3 321.490 3.429 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001674978837 1197940752 /nfs/dbraw/zinc/94/07/52/1197940752.db2.gz ADXDHRAKLDYROG-KBHCHJSJSA-N 0 3 311.429 3.017 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001674978935 1197941296 /nfs/dbraw/zinc/94/12/96/1197941296.db2.gz BRKNKXCXKONTBH-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001675201046 1198005317 /nfs/dbraw/zinc/00/53/17/1198005317.db2.gz ZJFKHGDBIODXHR-QGZVFWFLSA-N 0 3 303.450 3.117 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CCCC)CNCc2ccccn2)C1 ZINC001675228289 1198012975 /nfs/dbraw/zinc/01/29/75/1198012975.db2.gz MVDLGXRRDLNXBG-QGZVFWFLSA-N 0 3 315.461 3.203 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001675269575 1198029620 /nfs/dbraw/zinc/02/96/20/1198029620.db2.gz KQRCKOVZFJJGBV-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC001675275958 1198032922 /nfs/dbraw/zinc/03/29/22/1198032922.db2.gz WIPOHJNAYOJRGI-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C[C@@H](NC(=O)C#CC(C)(C)C)C1CN([C@H](C)c2ccccc2)C1 ZINC001675304855 1198039094 /nfs/dbraw/zinc/03/90/94/1198039094.db2.gz CLHOTURRNFHGIH-HZPDHXFCSA-N 0 3 312.457 3.234 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001675331766 1198045952 /nfs/dbraw/zinc/04/59/52/1198045952.db2.gz DIVRCBKEOLEVKC-LSDHHAIUSA-N 0 3 320.502 3.329 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)C(C)(C)C1 ZINC001675459238 1198071300 /nfs/dbraw/zinc/07/13/00/1198071300.db2.gz VZGSGRQSLHWGJO-GFCCVEGCSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001675467471 1198073428 /nfs/dbraw/zinc/07/34/28/1198073428.db2.gz GYCDEXDLHXACBU-INIZCTEOSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001675467472 1198073959 /nfs/dbraw/zinc/07/39/59/1198073959.db2.gz GYCDEXDLHXACBU-MRXNPFEDSA-N 0 3 300.446 3.225 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001675827358 1198149147 /nfs/dbraw/zinc/14/91/47/1198149147.db2.gz IBMMCTPMJVSXIQ-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001676005451 1198190668 /nfs/dbraw/zinc/19/06/68/1198190668.db2.gz KGRCFUAEZQJHQH-HYVNUMGLSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001676022781 1198196502 /nfs/dbraw/zinc/19/65/02/1198196502.db2.gz ILSRWUAVWKWVNU-LBDPXKHJSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](CNCc1cnc(C)s1)C1CC1 ZINC001676222119 1198252858 /nfs/dbraw/zinc/25/28/58/1198252858.db2.gz LMSNVDRNEBDLSA-INIZCTEOSA-N 0 3 321.490 3.134 20 30 DGEDHN CC(C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001676294827 1198275846 /nfs/dbraw/zinc/27/58/46/1198275846.db2.gz PYGZVVJXXHFJJR-OAHLLOKOSA-N 0 3 320.864 3.174 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001676413609 1198316900 /nfs/dbraw/zinc/31/69/00/1198316900.db2.gz QKMGSAQOTKTUID-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2ccnc(Cl)c2)C1 ZINC001676418189 1198317557 /nfs/dbraw/zinc/31/75/57/1198317557.db2.gz OFBMASMTINRCPK-ZDUSSCGKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001676712276 1198369924 /nfs/dbraw/zinc/36/99/24/1198369924.db2.gz LCTGIUVDGGWBSD-KRWDZBQOSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001676755433 1198380393 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C=C/C(C)=C\CC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001755683371 1201013563 /nfs/dbraw/zinc/01/35/63/1201013563.db2.gz XWUFRJFIEFFBSQ-UZLVYUGJSA-N 0 3 322.452 3.140 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001755685127 1201014757 /nfs/dbraw/zinc/01/47/57/1201014757.db2.gz UGUGWLNEKNGDBN-CABCVRRESA-N 0 3 318.848 3.173 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC001755713666 1201034505 /nfs/dbraw/zinc/03/45/05/1201034505.db2.gz BUUADUQNRPDNCY-TZMCWYRMSA-N 0 3 307.463 3.000 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001692372279 1201039659 /nfs/dbraw/zinc/03/96/59/1201039659.db2.gz AFJYTQLLBBETES-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001692373461 1201043069 /nfs/dbraw/zinc/04/30/69/1201043069.db2.gz XKFHSHDZJJQVFY-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001692376562 1201043082 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UDFBCPUWHABEGF-LLVKDONJSA-N 0 3 312.816 3.286 20 30 DGEDHN CC#CCN(CCCNC(=O)c1sccc1C(C)C)C1CC1 ZINC001752293676 1201822141 /nfs/dbraw/zinc/82/21/41/1201822141.db2.gz NKGODFHQNMYNNE-UHFFFAOYSA-N 0 3 318.486 3.479 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001699376616 1201822952 /nfs/dbraw/zinc/82/29/52/1201822952.db2.gz SRKMHMOZBJWXNB-CHWSQXEVSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001752317360 1201828117 /nfs/dbraw/zinc/82/81/17/1201828117.db2.gz VHYPJSILUPSJRB-FUHWJXTLSA-N 0 3 320.477 3.049 20 30 DGEDHN Cc1cccc(C)c1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001752386801 1201829992 /nfs/dbraw/zinc/82/99/92/1201829992.db2.gz AWUVOZLSUXXSHF-QGZVFWFLSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001752431616 1201836250 /nfs/dbraw/zinc/83/62/50/1201836250.db2.gz NFVFBEVURDWRGT-DLBZAZTESA-N 0 3 304.478 3.053 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](N[C@H](C)c1ccccc1F)C1CC1 ZINC001752462339 1201845121 /nfs/dbraw/zinc/84/51/21/1201845121.db2.gz DAZSAVLWPJXJBZ-KDOFPFPSSA-N 0 3 316.420 3.031 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001752519556 1201867470 /nfs/dbraw/zinc/86/74/70/1201867470.db2.gz VMNDIPUVAXCACZ-CQSZACIVSA-N 0 3 320.399 3.466 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1F ZINC001752545511 1201873182 /nfs/dbraw/zinc/87/31/82/1201873182.db2.gz WOTQQTCONYUVBI-CALCHBBNSA-N 0 3 316.420 3.010 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C ZINC001699466488 1201907438 /nfs/dbraw/zinc/90/74/38/1201907438.db2.gz AXGWRAPVILVHFR-AEFFLSMTSA-N 0 3 302.462 3.439 20 30 DGEDHN C[C@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001752766563 1201910889 /nfs/dbraw/zinc/91/08/89/1201910889.db2.gz SBZWLVUQHRLFPB-XFIJJGBISA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001752781036 1201919457 /nfs/dbraw/zinc/91/94/57/1201919457.db2.gz KGTBKNLNEXSOSV-GPVYEGESSA-N 0 3 324.468 3.332 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001752831645 1201956657 /nfs/dbraw/zinc/95/66/57/1201956657.db2.gz JXBSDDBPJNGSPN-NCNAPHLGSA-N 0 3 302.462 3.212 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C/C=C/Cl ZINC001752831270 1201957031 /nfs/dbraw/zinc/95/70/31/1201957031.db2.gz CTCUDBDWDKVMGK-SCGCXBKJSA-N 0 3 322.880 3.388 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001752835073 1201961284 /nfs/dbraw/zinc/96/12/84/1201961284.db2.gz AXPFJFFCPBHZNM-DLBZAZTESA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CCCCC)C1 ZINC001752839715 1201963784 /nfs/dbraw/zinc/96/37/84/1201963784.db2.gz DIFFIYMOQBOUNR-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001752840264 1201965052 /nfs/dbraw/zinc/96/50/52/1201965052.db2.gz KGZJKNKNPMLGSK-JKSUJKDBSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001752847095 1201970378 /nfs/dbraw/zinc/97/03/78/1201970378.db2.gz BLFCOSKFTNRDOJ-FHERZECASA-N 0 3 316.445 3.378 20 30 DGEDHN C[C@H](CNC(=O)C(F)=C1CCCC1)NCc1ccc(C#N)s1 ZINC001752865665 1201982768 /nfs/dbraw/zinc/98/27/68/1201982768.db2.gz IMZDGFLDCUFNBJ-LLVKDONJSA-N 0 3 321.421 3.012 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001699627789 1201989865 /nfs/dbraw/zinc/98/98/65/1201989865.db2.gz YSFYSSJTHXWTMG-KGLIPLIRSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001699633196 1201996841 /nfs/dbraw/zinc/99/68/41/1201996841.db2.gz PBCOVVVOGPOLKD-MOPGFXCFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001699635437 1202000501 /nfs/dbraw/zinc/00/05/01/1202000501.db2.gz PPGBGUYAGXLQJC-LBPRGKRZSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001699661487 1202019806 /nfs/dbraw/zinc/01/98/06/1202019806.db2.gz OAPUOAKJNRHROP-CQSZACIVSA-N 0 3 304.409 3.481 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001699703715 1202041964 /nfs/dbraw/zinc/04/19/64/1202041964.db2.gz NNBPHUQNFSSDAK-LJQANCHMSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001753000933 1202050096 /nfs/dbraw/zinc/05/00/96/1202050096.db2.gz WNFQKCMLGXQESY-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CCC2CCCCC2)CC1 ZINC001699774410 1202075566 /nfs/dbraw/zinc/07/55/66/1202075566.db2.gz RIZAOCQIRJRTQG-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN(C(C)=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001699775566 1202076593 /nfs/dbraw/zinc/07/65/93/1202076593.db2.gz LTYPAUOYTZVVAV-UHFFFAOYSA-N 0 3 312.457 3.256 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)C1CCN(CC(=C)C)CC1 ZINC001699785328 1202077528 /nfs/dbraw/zinc/07/75/28/1202077528.db2.gz LHBOKUFWYSYBMM-AZUAARDMSA-N 0 3 316.489 3.171 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC=CCCC1)C1CCN(CC=C)CC1 ZINC001699783277 1202077576 /nfs/dbraw/zinc/07/75/76/1202077576.db2.gz BXSZNFZMDLIBLV-SFHVURJKSA-N 0 3 314.473 3.235 20 30 DGEDHN CCCC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CCCC1 ZINC001699787062 1202078438 /nfs/dbraw/zinc/07/84/38/1202078438.db2.gz GYTFNHLBNBBRFD-MRXNPFEDSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)[C@@H]1CCc2c1cccc2F ZINC001753089034 1202118871 /nfs/dbraw/zinc/11/88/71/1202118871.db2.gz ARSVPLVSMRSAJB-QGZVFWFLSA-N 0 3 318.436 3.463 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001699875341 1202131282 /nfs/dbraw/zinc/13/12/82/1202131282.db2.gz UNKZSGZOZAACIV-IBGZPJMESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001699876582 1202132522 /nfs/dbraw/zinc/13/25/22/1202132522.db2.gz GOYVSEFZZGFQRE-CRAIPNDOSA-N 0 3 304.434 3.178 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001699888910 1202136064 /nfs/dbraw/zinc/13/60/64/1202136064.db2.gz VJMUFDDSGJIAQT-UONOGXRCSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(CCCC)cc1 ZINC001753105084 1202137009 /nfs/dbraw/zinc/13/70/09/1202137009.db2.gz ZKIUYRWWZBWDRD-LJQANCHMSA-N 0 3 314.473 3.338 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC[C@H](C)CC)C2)CC1 ZINC001699930977 1202139793 /nfs/dbraw/zinc/13/97/93/1202139793.db2.gz BQGWXKXFTPTXPC-MJGOQNOKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C=C)c1ccccc1 ZINC001700017597 1202166174 /nfs/dbraw/zinc/16/61/74/1202166174.db2.gz PWXNXRYGHPRNKK-YSIASYRMSA-N 0 3 322.452 3.045 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cscc2C)C1 ZINC001700052169 1202169655 /nfs/dbraw/zinc/16/96/55/1202169655.db2.gz GZSVKWAKLRYAMK-ZDUSSCGKSA-N 0 3 312.866 3.251 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001700091419 1202177406 /nfs/dbraw/zinc/17/74/06/1202177406.db2.gz OIPJZXMRKHAXOC-HZPDHXFCSA-N 0 3 300.446 3.357 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cc1cccs1 ZINC001700092104 1202178358 /nfs/dbraw/zinc/17/83/58/1202178358.db2.gz VRENLPSNINYZFX-UHFFFAOYSA-N 0 3 314.454 3.225 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001700092353 1202178584 /nfs/dbraw/zinc/17/85/84/1202178584.db2.gz WHOZSUHUDOKGNV-HOTGVXAUSA-N 0 3 322.399 3.212 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)C(F)F)cc1 ZINC001700094625 1202179118 /nfs/dbraw/zinc/17/91/18/1202179118.db2.gz LPLJGLFXQANFNB-ZDUSSCGKSA-N 0 3 322.399 3.268 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC001700100165 1202181201 /nfs/dbraw/zinc/18/12/01/1202181201.db2.gz SONXCGUZTHUAPP-ZOCIIQOWSA-N 0 3 310.441 3.023 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@H](CC)CCCC)C2)CC1 ZINC001700108760 1202183050 /nfs/dbraw/zinc/18/30/50/1202183050.db2.gz VMJIMPRKMVWVDH-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cc(F)cc(F)c2)CCC1 ZINC001700128658 1202186521 /nfs/dbraw/zinc/18/65/21/1202186521.db2.gz ZVFAKNIAUQQRJF-UHFFFAOYSA-N 0 3 308.372 3.060 20 30 DGEDHN CCC[C@H](C(=O)N(C)CCNCc1ccc(C#N)s1)C(C)C ZINC001753236876 1202187762 /nfs/dbraw/zinc/18/77/62/1202187762.db2.gz KEIASSKRDCAXJN-INIZCTEOSA-N 0 3 321.490 3.240 20 30 DGEDHN C#CCNC1(CNC(=O)CCC(C)(C)c2ccccc2)CCC1 ZINC001700143169 1202192068 /nfs/dbraw/zinc/19/20/68/1202192068.db2.gz NNAHQABXPGBACF-UHFFFAOYSA-N 0 3 312.457 3.006 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001700177092 1202196715 /nfs/dbraw/zinc/19/67/15/1202196715.db2.gz AORKLNQVQWRGDM-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC001753301513 1202200847 /nfs/dbraw/zinc/20/08/47/1202200847.db2.gz JUTLZOONZJLHGJ-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCCC(=O)N(CCC)[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001753314753 1202205725 /nfs/dbraw/zinc/20/57/25/1202205725.db2.gz LMMBSPHWQALRBN-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N(CCC)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001753317296 1202206692 /nfs/dbraw/zinc/20/66/92/1202206692.db2.gz LHBQCPFDBZRBEG-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001753319682 1202208227 /nfs/dbraw/zinc/20/82/27/1202208227.db2.gz KHSARLJKCNUMSV-IRXDYDNUSA-N 0 3 318.461 3.347 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C ZINC001700226585 1202215501 /nfs/dbraw/zinc/21/55/01/1202215501.db2.gz JLQLEJKJRVWKBO-KRWDZBQOSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@@H](F)CC)cc2C1 ZINC001700252171 1202217799 /nfs/dbraw/zinc/21/77/99/1202217799.db2.gz BAHIHSCZCRXTIR-KRWDZBQOSA-N 0 3 304.409 3.333 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001700341266 1202241794 /nfs/dbraw/zinc/24/17/94/1202241794.db2.gz LSOCWTFJPBPDNW-HNNXBMFYSA-N 0 3 310.869 3.100 20 30 DGEDHN C=CCCCC(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001753411045 1202244262 /nfs/dbraw/zinc/24/42/62/1202244262.db2.gz ZNJQPMPWSFRIEK-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(C)CCC(F)(F)CC1 ZINC001700355428 1202246142 /nfs/dbraw/zinc/24/61/42/1202246142.db2.gz ABBCUPGFWXFYOV-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001700353819 1202246615 /nfs/dbraw/zinc/24/66/15/1202246615.db2.gz JREHDIQQGYZHAG-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC001753433115 1202253253 /nfs/dbraw/zinc/25/32/53/1202253253.db2.gz BYCBGRBCENNICD-STQMWFEESA-N 0 3 319.276 3.069 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(Cc3ccccc3)CC2)C1 ZINC001753439047 1202254793 /nfs/dbraw/zinc/25/47/93/1202254793.db2.gz JXINHLRALUNDDW-SFHVURJKSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CC(CNCc2ncc(C)s2)C1 ZINC001700378147 1202254979 /nfs/dbraw/zinc/25/49/79/1202254979.db2.gz XNPSOJQXYBJTGS-NFOMZHRRSA-N 0 3 321.490 3.038 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001753441326 1202255341 /nfs/dbraw/zinc/25/53/41/1202255341.db2.gz HIQCSLPHIDGHDH-IBGZPJMESA-N 0 3 312.457 3.221 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001753444892 1202256181 /nfs/dbraw/zinc/25/61/81/1202256181.db2.gz ARYFAYXPZFQJGB-AEFFLSMTSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001700383355 1202256355 /nfs/dbraw/zinc/25/63/55/1202256355.db2.gz CBQNNJVAIXERKI-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCCN1CC[C@@H](N(C)C(=O)c2scnc2C(C)C)C1 ZINC001753445255 1202257135 /nfs/dbraw/zinc/25/71/35/1202257135.db2.gz ISCBPLNTEDYLNQ-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001700388328 1202259149 /nfs/dbraw/zinc/25/91/49/1202259149.db2.gz AAVKZAVLRKESMB-STQMWFEESA-N 0 3 319.424 3.116 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001700401343 1202263047 /nfs/dbraw/zinc/26/30/47/1202263047.db2.gz OEMPDTDNGQZVPD-CABCVRRESA-N 0 3 306.425 3.473 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001700402563 1202263670 /nfs/dbraw/zinc/26/36/70/1202263670.db2.gz VFEBDDKEICWTJF-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001700431340 1202270945 /nfs/dbraw/zinc/27/09/45/1202270945.db2.gz QLNMTTDBAJBNPQ-IRXDYDNUSA-N 0 3 314.473 3.347 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001700443280 1202274028 /nfs/dbraw/zinc/27/40/28/1202274028.db2.gz ZVNVGVXDYQBAQQ-ILXRZTDVSA-N 0 3 312.885 3.249 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001700471955 1202285760 /nfs/dbraw/zinc/28/57/60/1202285760.db2.gz WHDYBIGLTJGICF-GUYCJALGSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2c(s1)CCCCC2 ZINC001700485151 1202293736 /nfs/dbraw/zinc/29/37/36/1202293736.db2.gz ILMRBINWRGSEQJ-ZDUSSCGKSA-N 0 3 306.475 3.253 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)CCCC)cc1 ZINC001753590350 1202294864 /nfs/dbraw/zinc/29/48/64/1202294864.db2.gz GFDIGRYXWJVRKP-INIZCTEOSA-N 0 3 300.446 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@H](C)CC(C)C)cc1 ZINC001753591600 1202294976 /nfs/dbraw/zinc/29/49/76/1202294976.db2.gz GGSCIBRNAOOBGQ-MRXNPFEDSA-N 0 3 300.446 3.098 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1cc(C)ccc1OC ZINC001753600894 1202297444 /nfs/dbraw/zinc/29/74/44/1202297444.db2.gz NYIPYCIQWAUIKX-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1Cc1cnccc1C ZINC001700523309 1202303577 /nfs/dbraw/zinc/30/35/77/1202303577.db2.gz JRAPSSQQSNTBQD-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)C(C)(C)C ZINC001700523181 1202303876 /nfs/dbraw/zinc/30/38/76/1202303876.db2.gz ZGDVXVBCUJZDFX-ZDUSSCGKSA-N 0 3 321.490 3.430 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCCCN1C[C@@H](F)CC ZINC001700525384 1202304902 /nfs/dbraw/zinc/30/49/02/1202304902.db2.gz CWDIXBHJZUZGHM-IRXDYDNUSA-N 0 3 310.457 3.289 20 30 DGEDHN CCC1(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)CCC1 ZINC001753707495 1202318289 /nfs/dbraw/zinc/31/82/89/1202318289.db2.gz YAFSOFAXJSWMTE-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C\c1ccc[nH]1 ZINC001753779769 1202332596 /nfs/dbraw/zinc/33/25/96/1202332596.db2.gz NCOVIEVEPPYLTE-XITLMJRVSA-N 0 3 321.852 3.141 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C(C)(C)C(C)(F)F ZINC001700685898 1202333680 /nfs/dbraw/zinc/33/36/80/1202333680.db2.gz RFYBGWHOMZLXCV-NSHDSACASA-N 0 3 310.816 3.295 20 30 DGEDHN CC(C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C)=C1CCC1 ZINC001753829112 1202343230 /nfs/dbraw/zinc/34/32/30/1202343230.db2.gz JTMXRHKGOMXJLX-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CC1(C)CCCC1)C(C)C ZINC001753829483 1202343251 /nfs/dbraw/zinc/34/32/51/1202343251.db2.gz PZHWXCNEMSXSDO-AWEZNQCLSA-N 0 3 300.874 3.440 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H](C)NCc1cc2ccccc2o1 ZINC001700749346 1202347963 /nfs/dbraw/zinc/34/79/63/1202347963.db2.gz OLNSFXNJPATIDS-HNNXBMFYSA-N 0 3 312.413 3.029 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC001700853749 1202359269 /nfs/dbraw/zinc/35/92/69/1202359269.db2.gz MFJRGIBQOKBBOS-GDBMZVCRSA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001700856146 1202359778 /nfs/dbraw/zinc/35/97/78/1202359778.db2.gz OHTNGLGKUAHDDK-IEBWSBKVSA-N 0 3 314.429 3.085 20 30 DGEDHN C=CCCC[N@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001700856146 1202359780 /nfs/dbraw/zinc/35/97/80/1202359780.db2.gz OHTNGLGKUAHDDK-IEBWSBKVSA-N 0 3 314.429 3.085 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cccc(C)c2)[C@@H]1C ZINC001700883487 1202365456 /nfs/dbraw/zinc/36/54/56/1202365456.db2.gz ZBDTVUVFIJSTKQ-WMZOPIPTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCOC(C)C)[C@@H]2C)CCC1 ZINC001700883871 1202365476 /nfs/dbraw/zinc/36/54/76/1202365476.db2.gz WOHHGLLQDYWJNU-SJORKVTESA-N 0 3 322.493 3.127 20 30 DGEDHN CCCCC(=O)N[C@H]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001700894740 1202367190 /nfs/dbraw/zinc/36/71/90/1202367190.db2.gz FOJSGWWKGZUHDD-YJBOKZPZSA-N 0 3 313.445 3.123 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H](NC/C=C/Cl)C(C)(C)C1 ZINC001700920440 1202370402 /nfs/dbraw/zinc/37/04/02/1202370402.db2.gz ZVLPAHMUSCJFAB-GDXASINISA-N 0 3 310.869 3.149 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc(C(C)C)n1)C(C)C ZINC001700973042 1202373396 /nfs/dbraw/zinc/37/33/96/1202373396.db2.gz CSGZRDLOGLXCNQ-UHFFFAOYSA-N 0 3 303.450 3.173 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1ccc(F)cc1F)C(C)C ZINC001700981373 1202376130 /nfs/dbraw/zinc/37/61/30/1202376130.db2.gz SOCJLYJMOLCYFS-AWEZNQCLSA-N 0 3 324.415 3.423 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001701008435 1202380408 /nfs/dbraw/zinc/38/04/08/1202380408.db2.gz MSVNTVNAJUTMRI-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)CCCC)CC[C@H]1C(F)(F)F ZINC001701013327 1202381228 /nfs/dbraw/zinc/38/12/28/1202381228.db2.gz YAYBRBSMYDUHLS-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001701027468 1202383171 /nfs/dbraw/zinc/38/31/71/1202383171.db2.gz HBRUEGBWTUBHPH-UHFFFAOYSA-N 0 3 321.490 3.133 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)CC3CCCCCC3)CC2)CC1 ZINC001701031497 1202383773 /nfs/dbraw/zinc/38/37/73/1202383773.db2.gz ZZJXVVOBOTXRSL-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(c3ccccc3C)CCC2)CC1 ZINC001701062381 1202386000 /nfs/dbraw/zinc/38/60/00/1202386000.db2.gz ZYJYLBOKIIYEIN-UHFFFAOYSA-N 0 3 324.468 3.351 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001707049458 1202569086 /nfs/dbraw/zinc/56/90/86/1202569086.db2.gz AGFLHUPMCKXMEB-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc(C)o1 ZINC001707053232 1202569611 /nfs/dbraw/zinc/56/96/11/1202569611.db2.gz HRTHPJJKTYZZSA-HZPDHXFCSA-N 0 3 304.434 3.190 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C1=CCCC1 ZINC001707140529 1202574432 /nfs/dbraw/zinc/57/44/32/1202574432.db2.gz LSODYAGVMBBRID-CJNGLKHVSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cccnc1 ZINC001707156479 1202574720 /nfs/dbraw/zinc/57/47/20/1202574720.db2.gz DXYSZTHUNQMTPP-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC2(C)CCCCC2)[C@H]1CC ZINC001707198671 1202576017 /nfs/dbraw/zinc/57/60/17/1202576017.db2.gz UADBNTNJMIRXPA-DLBZAZTESA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(CCCCC(F)(F)F)[C@@H]1C ZINC001707249317 1202578559 /nfs/dbraw/zinc/57/85/59/1202578559.db2.gz JWFKGKQDXULOGN-KGLIPLIRSA-N 0 3 318.383 3.102 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001707418477 1202583972 /nfs/dbraw/zinc/58/39/72/1202583972.db2.gz QUYIYBJVSBHMBG-LJQANCHMSA-N 0 3 314.473 3.278 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ncccc1C ZINC001707441997 1202585218 /nfs/dbraw/zinc/58/52/18/1202585218.db2.gz RHABRADYEDOHOU-AEFFLSMTSA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2c(s1)CCCCC2 ZINC001712986638 1202608241 /nfs/dbraw/zinc/60/82/41/1202608241.db2.gz OBVMKWIGSKIHCI-UHFFFAOYSA-N 0 3 318.486 3.092 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001712991652 1202608532 /nfs/dbraw/zinc/60/85/32/1202608532.db2.gz XTFHIMZGRALENZ-GOSISDBHSA-N 0 3 318.436 3.027 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001713097668 1202616747 /nfs/dbraw/zinc/61/67/47/1202616747.db2.gz XDKXEJNUJSVVMI-BILQUBDUSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ncccc2C)CC1 ZINC001713099142 1202616903 /nfs/dbraw/zinc/61/69/03/1202616903.db2.gz FHAIICODOSQHGA-UHFFFAOYSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)/C=C/c2ccco2)CC1 ZINC001713099933 1202617048 /nfs/dbraw/zinc/61/70/48/1202617048.db2.gz IWMJEDAYHIQMCN-BQYQJAHWSA-N 0 3 302.418 3.182 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cncc(CC)c2)CC1 ZINC001713100454 1202617148 /nfs/dbraw/zinc/61/71/48/1202617148.db2.gz BBBMDUQTMHEUPA-UHFFFAOYSA-N 0 3 315.461 3.147 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC2 ZINC001713143023 1202621801 /nfs/dbraw/zinc/62/18/01/1202621801.db2.gz OZJMGUQDFHEXJR-BBWFWOEESA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC=C)CCC1 ZINC001713142628 1202621830 /nfs/dbraw/zinc/62/18/30/1202621830.db2.gz BDTKWWFIEWZWCX-CALCHBBNSA-N 0 3 302.462 3.374 20 30 DGEDHN C[C@H]1CC[C@H](CC(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166814 1202623412 /nfs/dbraw/zinc/62/34/12/1202623412.db2.gz HUWKRGJZBXHNOX-LEAZDLGRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2CN(CCC(F)(F)F)CC[C@@H]21 ZINC001713182117 1202624761 /nfs/dbraw/zinc/62/47/61/1202624761.db2.gz MJNLRWVKVBABAD-KGLIPLIRSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCCN2CCOCCCC)C1 ZINC001713257800 1202632348 /nfs/dbraw/zinc/63/23/48/1202632348.db2.gz KBFJCCAAPNGYSV-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCCC ZINC001713271227 1202633744 /nfs/dbraw/zinc/63/37/44/1202633744.db2.gz ZHCLHOYFILZRTQ-QZTJIDSGSA-N 0 3 304.478 3.436 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001713279801 1202634862 /nfs/dbraw/zinc/63/48/62/1202634862.db2.gz UREOYXZOTDLSIQ-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCCC(=O)NC1CCC(NCc2ncc(C)s2)CC1 ZINC001713288839 1202636133 /nfs/dbraw/zinc/63/61/33/1202636133.db2.gz ITKPMOWMGFURBN-UHFFFAOYSA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC001713369317 1202642468 /nfs/dbraw/zinc/64/24/68/1202642468.db2.gz PSVOZKYDVVADBD-HUUCEWRRSA-N 0 3 317.433 3.035 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001713397916 1202645105 /nfs/dbraw/zinc/64/51/05/1202645105.db2.gz SAOCSYPRONJAED-PKOBYXMFSA-N 0 3 312.457 3.045 20 30 DGEDHN CC/C=C(/C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001713404395 1202646238 /nfs/dbraw/zinc/64/62/38/1202646238.db2.gz XOKIKFKWZKYFJJ-MECSIWFOSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001713466541 1202654133 /nfs/dbraw/zinc/65/41/33/1202654133.db2.gz GPNASTYDWQRUTC-AWEZNQCLSA-N 0 3 304.409 3.291 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001713510958 1202662796 /nfs/dbraw/zinc/66/27/96/1202662796.db2.gz KMLFDUWVVPTFRW-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001713519852 1202664302 /nfs/dbraw/zinc/66/43/02/1202664302.db2.gz JADZWQIVNCQRLN-GOSISDBHSA-N 0 3 312.457 3.102 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(c2ccccc2C)CCC1 ZINC001713518687 1202664392 /nfs/dbraw/zinc/66/43/92/1202664392.db2.gz KDWUIKASVLYNTN-GOSISDBHSA-N 0 3 324.468 3.021 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001713549985 1202668778 /nfs/dbraw/zinc/66/87/78/1202668778.db2.gz KBKNNGJQNOXHNK-LJQANCHMSA-N 0 3 314.473 3.278 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C(C)(C)c1ccccc1Cl ZINC001713551450 1202669400 /nfs/dbraw/zinc/66/94/00/1202669400.db2.gz NTHUEMXKCJFAMM-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN CC#CCNCCN(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001713636282 1202674394 /nfs/dbraw/zinc/67/43/94/1202674394.db2.gz OYDLWTOCIZMLDD-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC001713704889 1202678913 /nfs/dbraw/zinc/67/89/13/1202678913.db2.gz MQOIIRATWGZIPB-APWZRJJASA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC001713704892 1202679009 /nfs/dbraw/zinc/67/90/09/1202679009.db2.gz MQOIIRATWGZIPB-VQIMIIECSA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccoc1C(C)C)c1ccccc1 ZINC001713704563 1202679022 /nfs/dbraw/zinc/67/90/22/1202679022.db2.gz XHUWHLWGNIYISZ-SFHVURJKSA-N 0 3 324.424 3.487 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccoc1CCC)c1ccccc1 ZINC001713705058 1202679109 /nfs/dbraw/zinc/67/91/09/1202679109.db2.gz QOOCOIDUBZWCIQ-QGZVFWFLSA-N 0 3 312.413 3.479 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001713708096 1202679306 /nfs/dbraw/zinc/67/93/06/1202679306.db2.gz NBHPZDMULQOBHI-KDURUIRLSA-N 0 3 316.489 3.291 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(CCC)C(=O)c2cnc(C)s2)C1 ZINC001713712649 1202679532 /nfs/dbraw/zinc/67/95/32/1202679532.db2.gz MLWKRFKZUVQQMT-OAHLLOKOSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)CCC1 ZINC001713735465 1202683809 /nfs/dbraw/zinc/68/38/09/1202683809.db2.gz RQRWHWOCZCNGLC-GSDOMDMQSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H](F)CC1CCCCC1)C1CC1 ZINC001713774927 1202689368 /nfs/dbraw/zinc/68/93/68/1202689368.db2.gz YTAPIDTUUUNJBD-GOSISDBHSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](CC)c2ccc(F)cc2)CC1 ZINC001713785581 1202690413 /nfs/dbraw/zinc/69/04/13/1202690413.db2.gz VDSISKOQWLAJFB-GOSISDBHSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001713852756 1202695691 /nfs/dbraw/zinc/69/56/91/1202695691.db2.gz FWEKJDJWGOMROM-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCOCCN1CCC(N(CCC)C(=O)C=C2CCC2)CC1 ZINC001713853563 1202695979 /nfs/dbraw/zinc/69/59/79/1202695979.db2.gz JZRQVHPLEWXLEN-UHFFFAOYSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC001713903443 1202700948 /nfs/dbraw/zinc/70/09/48/1202700948.db2.gz VERLTOWKQFGCEQ-CALCHBBNSA-N 0 3 302.393 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001713902530 1202700993 /nfs/dbraw/zinc/70/09/93/1202700993.db2.gz FRKNCWWIKHRWKP-ZACQAIPSSA-N 0 3 313.445 3.034 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C(C)C ZINC001713934633 1202703414 /nfs/dbraw/zinc/70/34/14/1202703414.db2.gz BZSIPXACFWLXGO-GJZGRUSLSA-N 0 3 301.434 3.003 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(F)(F)C1 ZINC001713939062 1202703877 /nfs/dbraw/zinc/70/38/77/1202703877.db2.gz AIZSFWKWENXVJI-IHRRRGAJSA-N 0 3 312.404 3.062 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001713943240 1202704336 /nfs/dbraw/zinc/70/43/36/1202704336.db2.gz IQJWOPTYISLTBC-GJZGRUSLSA-N 0 3 304.478 3.310 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001713967387 1202709261 /nfs/dbraw/zinc/70/92/61/1202709261.db2.gz VWSILNNLEBLENY-JOCQHMNTSA-N 0 3 300.874 3.438 20 30 DGEDHN C=CCCC(=O)N(CC)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001714032238 1202739518 /nfs/dbraw/zinc/73/95/18/1202739518.db2.gz CVVSDDWTGNSYMY-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN CC[C@H](CNC(=O)c1ccc(C)cc1)NCC#Cc1ccccc1 ZINC001714120805 1202788984 /nfs/dbraw/zinc/78/89/84/1202788984.db2.gz ZTBFTIZPBKNQIO-HXUWFJFHSA-N 0 3 320.436 3.145 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC=C ZINC001714143712 1202799235 /nfs/dbraw/zinc/79/92/35/1202799235.db2.gz GEJZTBXLNPUOEJ-IRXDYDNUSA-N 0 3 302.462 3.067 20 30 DGEDHN C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148216 1202803013 /nfs/dbraw/zinc/80/30/13/1202803013.db2.gz QRJYQAYEHJLIQD-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148216 1202803017 /nfs/dbraw/zinc/80/30/17/1202803017.db2.gz QRJYQAYEHJLIQD-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CC=C)CCC1 ZINC001714146674 1202803357 /nfs/dbraw/zinc/80/33/57/1202803357.db2.gz ZTDNGIYTOXARKX-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N[C@@H](C)c1ccccc1F ZINC001714227677 1202839665 /nfs/dbraw/zinc/83/96/65/1202839665.db2.gz DHRCUWAEZSFIQY-GJZGRUSLSA-N 0 3 304.409 3.175 20 30 DGEDHN CCCC1(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001714264872 1202853656 /nfs/dbraw/zinc/85/36/56/1202853656.db2.gz PDKVUZPPZQLAFT-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001714486778 1202958058 /nfs/dbraw/zinc/95/80/58/1202958058.db2.gz PJEKLUDAYQXELF-MLGOLLRUSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1ccccc1C ZINC001714491631 1202960680 /nfs/dbraw/zinc/96/06/80/1202960680.db2.gz JQUUGTMOFUZBLW-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@H]1CCc2ccccc21 ZINC001714494139 1202961608 /nfs/dbraw/zinc/96/16/08/1202961608.db2.gz RHCRYZNRNXVSNL-GDBMZVCRSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2c1CCC2 ZINC001714503640 1202967234 /nfs/dbraw/zinc/96/72/34/1202967234.db2.gz IIZVWXSGWMYRDW-CYBMUJFWSA-N 0 3 306.837 3.026 20 30 DGEDHN CC[C@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001714549829 1202994744 /nfs/dbraw/zinc/99/47/44/1202994744.db2.gz REBFSYFPKGIWMP-LSDHHAIUSA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cccc(Cl)c1Cl ZINC001714595956 1203036006 /nfs/dbraw/zinc/03/60/06/1203036006.db2.gz FEYLKQYYDRLKED-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN CCN(CCNC(=O)C1(C)CCCC1)Cc1ccc(C#N)cc1 ZINC001714587008 1203026553 /nfs/dbraw/zinc/02/65/53/1203026553.db2.gz MWIXASRUNSLUEY-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001714597796 1203037022 /nfs/dbraw/zinc/03/70/22/1203037022.db2.gz QTLKAMNUPAARQZ-CYBMUJFWSA-N 0 3 324.827 3.075 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001714642938 1203068868 /nfs/dbraw/zinc/06/88/68/1203068868.db2.gz HACQMQQCSJLVOU-KXBFYZLASA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001714654404 1203078520 /nfs/dbraw/zinc/07/85/20/1203078520.db2.gz RFWPLQKHEWCMHS-MOPGFXCFSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001714659474 1203084151 /nfs/dbraw/zinc/08/41/51/1203084151.db2.gz MOURFEIVERZDFL-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C#CC(C)C)c1ccc(C(C)C)cc1 ZINC001714834414 1203144851 /nfs/dbraw/zinc/14/48/51/1203144851.db2.gz ZYRFZQWICORCRL-IBGZPJMESA-N 0 3 312.457 3.402 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC001714841869 1203148529 /nfs/dbraw/zinc/14/85/29/1203148529.db2.gz AVDABAZJMWBFRN-KRWDZBQOSA-N 0 3 316.351 3.212 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccccc1F)c1ccccc1 ZINC001714844991 1203149668 /nfs/dbraw/zinc/14/96/68/1203149668.db2.gz HJYSJKBUUUWUPU-GOSISDBHSA-N 0 3 312.388 3.001 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)c1cccnc1)c1ccccc1 ZINC001714849574 1203151472 /nfs/dbraw/zinc/15/14/72/1203151472.db2.gz QSMRDESGWDIZQN-VQIMIIECSA-N 0 3 323.440 3.208 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001714859656 1203158986 /nfs/dbraw/zinc/15/89/86/1203158986.db2.gz FABBFLPHUVVOFG-WOJBJXKFSA-N 0 3 324.468 3.292 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CCc2ccccc2CC)C1 ZINC001714965180 1203219665 /nfs/dbraw/zinc/21/96/65/1203219665.db2.gz DIEURFFJEMVKLX-UHFFFAOYSA-N 0 3 314.473 3.196 20 30 DGEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001714987536 1203226881 /nfs/dbraw/zinc/22/68/81/1203226881.db2.gz YFTVUQKKHHSHBC-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001714989438 1203227760 /nfs/dbraw/zinc/22/77/60/1203227760.db2.gz FBNHBWNUSHEFBL-PNKHAZJDSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC=C)c1ccccc1 ZINC001714991231 1203228147 /nfs/dbraw/zinc/22/81/47/1203228147.db2.gz FJNPBHQSBMGNFR-FHWLQOOXSA-N 0 3 310.441 3.208 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H](C)C(C)C ZINC001715228718 1203299931 /nfs/dbraw/zinc/29/99/31/1203299931.db2.gz YQSCKXMUOQELKK-GJZGRUSLSA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2ccncc2)C1 ZINC001715036306 1203247604 /nfs/dbraw/zinc/24/76/04/1203247604.db2.gz CPDSLFGYOLSNBU-SJLPKXTDSA-N 0 3 315.461 3.074 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001715050509 1203255248 /nfs/dbraw/zinc/25/52/48/1203255248.db2.gz AEDAAVWPXISDDT-QAPCUYQASA-N 0 3 318.436 3.098 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](CC)NCc1cc(F)cc(F)c1 ZINC001715065714 1203260203 /nfs/dbraw/zinc/26/02/03/1203260203.db2.gz AHSQLPDZBKAJTM-QGZVFWFLSA-N 0 3 322.399 3.143 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCc1ccccc1)C1CC1 ZINC001715121978 1203278516 /nfs/dbraw/zinc/27/85/16/1203278516.db2.gz JTIBJCFMAFPXJO-GOSISDBHSA-N 0 3 320.864 3.246 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)C(CC)CC)cc1 ZINC001715193241 1203293399 /nfs/dbraw/zinc/29/33/99/1203293399.db2.gz BQELNBJVLMELCE-INIZCTEOSA-N 0 3 314.473 3.488 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2CCC3(CC3)CC2)cc1 ZINC001715197171 1203293892 /nfs/dbraw/zinc/29/38/92/1203293892.db2.gz MOSXZTUCSHABMN-UHFFFAOYSA-N 0 3 324.468 3.386 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)Cc1occc1C ZINC001715210527 1203297046 /nfs/dbraw/zinc/29/70/46/1203297046.db2.gz PZHQEZXVBXPJAP-OAHLLOKOSA-N 0 3 324.852 3.244 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001715268152 1203305759 /nfs/dbraw/zinc/30/57/59/1203305759.db2.gz BHPQYSVBSRNIOZ-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN CC(C)CCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001715364066 1203324984 /nfs/dbraw/zinc/32/49/84/1203324984.db2.gz MSPVAJAKVABVBK-SFHVURJKSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(-c2ccco2)s1 ZINC001715533354 1203364484 /nfs/dbraw/zinc/36/44/84/1203364484.db2.gz FOALDVSZGJKERW-UHFFFAOYSA-N 0 3 304.415 3.198 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001715545588 1203368877 /nfs/dbraw/zinc/36/88/77/1203368877.db2.gz QCRXVQSHNMXPQU-DNWYELSFSA-N 0 3 310.869 3.264 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001715545594 1203368972 /nfs/dbraw/zinc/36/89/72/1203368972.db2.gz QCRXVQSHNMXPQU-YKHJJTLOSA-N 0 3 310.869 3.264 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1ncc(C)s1 ZINC001715675468 1203379866 /nfs/dbraw/zinc/37/98/66/1203379866.db2.gz BCTGSLSUQZDZPC-BLLLJJGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H](C)c1ccco1)C(C)C ZINC001715689154 1203380972 /nfs/dbraw/zinc/38/09/72/1203380972.db2.gz DSJYXBIAHWXHAC-TZMCWYRMSA-N 0 3 312.841 3.256 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CN[C@H](C)c1ccc(F)c(F)c1 ZINC001715810680 1203394507 /nfs/dbraw/zinc/39/45/07/1203394507.db2.gz PQQWWWSZPZGGQE-LMVHVUTASA-N 0 3 320.383 3.091 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1(C)CCCCC1 ZINC001715992963 1203417794 /nfs/dbraw/zinc/41/77/94/1203417794.db2.gz JXYFXEXWMWISCV-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN Cc1ccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C)cc1F ZINC001716028917 1203428400 /nfs/dbraw/zinc/42/84/00/1203428400.db2.gz LZNYQMISULFGJN-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(OC)c1 ZINC001716045983 1203435241 /nfs/dbraw/zinc/43/52/41/1203435241.db2.gz UTWBGIKEAIMACM-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1nccs1 ZINC001716068445 1203438350 /nfs/dbraw/zinc/43/83/50/1203438350.db2.gz ZUOPDWPUKAJRAP-KGLIPLIRSA-N 0 3 321.490 3.120 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)CCC1CCC1 ZINC001716211990 1203450147 /nfs/dbraw/zinc/45/01/47/1203450147.db2.gz VYCGAHVCACCUBO-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCC#Cc2ccccc2)CCCC1 ZINC001716427249 1203471495 /nfs/dbraw/zinc/47/14/95/1203471495.db2.gz OLNWJHIAADPRLI-GOSISDBHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1ccc(C)c(C)c1 ZINC001716582934 1203504384 /nfs/dbraw/zinc/50/43/84/1203504384.db2.gz LOKXTZZVUKMJDQ-UHFFFAOYSA-N 0 3 308.853 3.037 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1ccc(F)cc1F ZINC001716666441 1203519436 /nfs/dbraw/zinc/51/94/36/1203519436.db2.gz GNKBWLFPKRSOQF-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001716667208 1203519508 /nfs/dbraw/zinc/51/95/08/1203519508.db2.gz WIXYXGJPTBHOHQ-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001716670301 1203520730 /nfs/dbraw/zinc/52/07/30/1203520730.db2.gz DAMLQWGYGYVCER-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001716669454 1203520905 /nfs/dbraw/zinc/52/09/05/1203520905.db2.gz PDJKUFCLBSIEOX-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN CCCCCCN1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001716672301 1203521592 /nfs/dbraw/zinc/52/15/92/1203521592.db2.gz ZONCMBXUCOEBEZ-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN CC#CCCCC(=O)NCC1(NC/C=C\c2ccccc2)CC1 ZINC001716690712 1203525759 /nfs/dbraw/zinc/52/57/59/1203525759.db2.gz NEAIMTGYUFXVEQ-XFXZXTDPSA-N 0 3 310.441 3.132 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC2(C)CC2)C1 ZINC001716705664 1203528950 /nfs/dbraw/zinc/52/89/50/1203528950.db2.gz DNRMFKDSJUPTPP-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN CC[C@H](C)C(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001716791977 1203543481 /nfs/dbraw/zinc/54/34/81/1203543481.db2.gz HYSIIFXRPHSGDK-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN(C(=O)C1CCCCC1)C1CCN(CC=C(C)C)CC1 ZINC001716803340 1203545086 /nfs/dbraw/zinc/54/50/86/1203545086.db2.gz ZEEWXGNUKMVRNU-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@@H]1CC)C1CCN(CC(=C)C)CC1 ZINC001716809174 1203545535 /nfs/dbraw/zinc/54/55/35/1203545535.db2.gz SBGMMNQXWPLKEX-HKUYNNGSSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2ccncc2Cl)C1 ZINC001717074077 1203582237 /nfs/dbraw/zinc/58/22/37/1203582237.db2.gz JSULEHIKJUMSMU-CQSZACIVSA-N 0 3 321.852 3.029 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C=C\C(C)(C)C)cccc2C1 ZINC001717143253 1203589961 /nfs/dbraw/zinc/58/99/61/1203589961.db2.gz CTELXLKZFQFOMR-BENRWUELSA-N 0 3 324.468 3.287 20 30 DGEDHN CC#CCNC1(CNC(=O)c2coc3ccc(CC)cc23)CCC1 ZINC001717151520 1203591623 /nfs/dbraw/zinc/59/16/23/1203591623.db2.gz RMDGHWKUPQLFSF-UHFFFAOYSA-N 0 3 324.424 3.261 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2ncccc2C)CC1 ZINC001717199176 1203598048 /nfs/dbraw/zinc/59/80/48/1203598048.db2.gz HWQVFPHGYNJFRL-QGZVFWFLSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001717200875 1203599003 /nfs/dbraw/zinc/59/90/03/1203599003.db2.gz OZNQTRYXUHJMFY-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)CCC)C2 ZINC001717248028 1203610181 /nfs/dbraw/zinc/61/01/81/1203610181.db2.gz SWNHVBPLXCNCOC-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCN1Cc2ccc(CNC(=O)C#CC(C)C)cc2C1 ZINC001717270451 1203610869 /nfs/dbraw/zinc/61/08/69/1203610869.db2.gz YFZGFPQDWPLTPJ-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001717285948 1203612943 /nfs/dbraw/zinc/61/29/43/1203612943.db2.gz MEUKUXPNFZGMJS-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CC=C)CCCCC2)C[C@@H]1C ZINC001717335363 1203619747 /nfs/dbraw/zinc/61/97/47/1203619747.db2.gz IMELQPGJEMZMTO-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)C[C@H]1C ZINC001717334632 1203620102 /nfs/dbraw/zinc/62/01/02/1203620102.db2.gz XDXKAUQHYHDBQE-KGLIPLIRSA-N 0 3 314.420 3.050 20 30 DGEDHN C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363497 1203626158 /nfs/dbraw/zinc/62/61/58/1203626158.db2.gz JVBLEQBPWLLGPG-JKSUJKDBSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363497 1203626159 /nfs/dbraw/zinc/62/61/59/1203626159.db2.gz JVBLEQBPWLLGPG-JKSUJKDBSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C[C@@H]1CCCCO1 ZINC001717372621 1203628873 /nfs/dbraw/zinc/62/88/73/1203628873.db2.gz BVJNIBHHZPJPLD-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001717376162 1203631601 /nfs/dbraw/zinc/63/16/01/1203631601.db2.gz LHTUHZBSTCNNMW-QAPCUYQASA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(CCF)C2)C1 ZINC001717379757 1203632586 /nfs/dbraw/zinc/63/25/86/1203632586.db2.gz ZLKPXXOALVNEFU-HOTGVXAUSA-N 0 3 310.457 3.119 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717407154 1203637818 /nfs/dbraw/zinc/63/78/18/1203637818.db2.gz PLDGKLYRUNKOBH-MIWOTCCTSA-N 0 3 317.408 3.036 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001717425177 1203641713 /nfs/dbraw/zinc/64/17/13/1203641713.db2.gz OPKCAUWQMWYYBR-QWHCGFSZSA-N 0 3 309.841 3.074 20 30 DGEDHN CC(C)c1ccc(CN(C)[C@@H](C)CNC(=O)C#CC2CC2)cc1 ZINC001717472427 1203655573 /nfs/dbraw/zinc/65/55/73/1203655573.db2.gz MKAKJQUUQOOARZ-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001717485381 1203661065 /nfs/dbraw/zinc/66/10/65/1203661065.db2.gz LDEVIZUGNVKUEI-HNNXBMFYSA-N 0 3 313.445 3.461 20 30 DGEDHN C=C(C)C[NH2+][C@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001717511592 1203668334 /nfs/dbraw/zinc/66/83/34/1203668334.db2.gz IHXQHTMOZIXSDL-MRXNPFEDSA-N 0 3 304.434 3.045 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001717550977 1203679772 /nfs/dbraw/zinc/67/97/72/1203679772.db2.gz JXMTXEYFEZKYSD-QWPQOLDESA-N 0 3 312.457 3.188 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(CCCc2ccsc2)C1 ZINC001717554442 1203680433 /nfs/dbraw/zinc/68/04/33/1203680433.db2.gz CHWJHYKUBQVGPH-CQSZACIVSA-N 0 3 320.502 3.329 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@@H](C)c2ccco2)C(C)(C)C1 ZINC001717587552 1203687022 /nfs/dbraw/zinc/68/70/22/1203687022.db2.gz HJQFUAYEJZPYKR-GDBMZVCRSA-N 0 3 304.434 3.176 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(C)s2)C(C)(C)C1 ZINC001717590467 1203688168 /nfs/dbraw/zinc/68/81/68/1203688168.db2.gz YOMAFPFADKWNNY-INIZCTEOSA-N 0 3 320.502 3.392 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C1CCCC1 ZINC001717656215 1203695101 /nfs/dbraw/zinc/69/51/01/1203695101.db2.gz VORSAIKMDMKZIZ-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC001717685842 1203698520 /nfs/dbraw/zinc/69/85/20/1203698520.db2.gz QFPHPLYFWVGLEJ-ZDUSSCGKSA-N 0 3 319.836 3.409 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC001717685841 1203698630 /nfs/dbraw/zinc/69/86/30/1203698630.db2.gz QFPHPLYFWVGLEJ-CYBMUJFWSA-N 0 3 319.836 3.409 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001717686323 1203698999 /nfs/dbraw/zinc/69/89/99/1203698999.db2.gz ZQVSFLJTLCJXTR-CYBMUJFWSA-N 0 3 319.836 3.409 20 30 DGEDHN CC(C)[C@@H](C)C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001717687525 1203699022 /nfs/dbraw/zinc/69/90/22/1203699022.db2.gz YSQGIYJKESMPIG-HZPDHXFCSA-N 0 3 315.461 3.225 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CC[C@@H](C)c1ccccc1 ZINC001717744642 1203708518 /nfs/dbraw/zinc/70/85/18/1203708518.db2.gz GDANGFOZPJCXAG-IAGOWNOFSA-N 0 3 300.446 3.030 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H](C)NC[C@@H](F)CC)CCCCC1 ZINC001717757976 1203711661 /nfs/dbraw/zinc/71/16/61/1203711661.db2.gz RYLDSYLKGWXANY-HOTGVXAUSA-N 0 3 310.457 3.145 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccnc(Cl)c2)C[C@H]1C ZINC001717814486 1203715823 /nfs/dbraw/zinc/71/58/23/1203715823.db2.gz YONNIMVQISLWCM-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCC3CCCC3)CCC[C@H]12 ZINC001717834586 1203718398 /nfs/dbraw/zinc/71/83/98/1203718398.db2.gz VHRQXNQLSGAXLD-PKOBYXMFSA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)CCCCCC)CCC[C@H]12 ZINC001717839190 1203719489 /nfs/dbraw/zinc/71/94/89/1203719489.db2.gz DCQXPUZCEVCMKO-ZIFCJYIRSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2(C)CCCC2)[C@H]1C ZINC001717852472 1203721572 /nfs/dbraw/zinc/72/15/72/1203721572.db2.gz QTVWTCHSZLYZLR-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H]1C ZINC001717856464 1203723146 /nfs/dbraw/zinc/72/31/46/1203723146.db2.gz TVBLHHGAHVRZRM-OLZOCXBDSA-N 0 3 302.409 3.213 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cc(C)ns2)C(C)(C)C1 ZINC001717895324 1203729246 /nfs/dbraw/zinc/72/92/46/1203729246.db2.gz JQRITROXHTZWIT-OAHLLOKOSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001717898872 1203729665 /nfs/dbraw/zinc/72/96/65/1203729665.db2.gz FSJFYFBTPWLOIB-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCCCC(=O)N(CCN(C)Cc1ccc(C)cc1)C(C)C ZINC001717946751 1203731966 /nfs/dbraw/zinc/73/19/66/1203731966.db2.gz DRTMIIUIEWJPLU-UHFFFAOYSA-N 0 3 314.473 3.467 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(C)n(CC)c1C)C(C)C ZINC001717950279 1203733721 /nfs/dbraw/zinc/73/37/21/1203733721.db2.gz RQVGPOMDZCVRTL-UHFFFAOYSA-N 0 3 305.466 3.093 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(Cl)s1)C(C)C ZINC001717951798 1203734406 /nfs/dbraw/zinc/73/44/06/1203734406.db2.gz HLJDXKBGBKOFNQ-UHFFFAOYSA-N 0 3 312.866 3.207 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCC2CCCC2)CC1 ZINC001717976866 1203738936 /nfs/dbraw/zinc/73/89/36/1203738936.db2.gz PWJGTCOJCAMLJS-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC001717979949 1203739384 /nfs/dbraw/zinc/73/93/84/1203739384.db2.gz QPWHQRNJKCSCCR-UZLBHIALSA-N 0 3 324.468 3.030 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC001718003040 1203742785 /nfs/dbraw/zinc/74/27/85/1203742785.db2.gz BKZHVOINCKNJKB-SJORKVTESA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)C(CC)CC)CC2)CC1 ZINC001718003815 1203742830 /nfs/dbraw/zinc/74/28/30/1203742830.db2.gz RPGXJWLANRRHNQ-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC001718028345 1203744264 /nfs/dbraw/zinc/74/42/64/1203744264.db2.gz ARHGIBQZSJTMMR-LJQANCHMSA-N 0 3 312.457 3.361 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(c3cc(C)cc(C)c3)CC2)CC1 ZINC001718032501 1203744642 /nfs/dbraw/zinc/74/46/42/1203744642.db2.gz IRUYVJOYQGKCMH-UHFFFAOYSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2sccc2F)c(F)c1 ZINC001718035073 1203745438 /nfs/dbraw/zinc/74/54/38/1203745438.db2.gz ZKWWYFPXSDWVFN-UHFFFAOYSA-N 0 3 322.380 3.232 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)C1 ZINC001752969110 1203944729 /nfs/dbraw/zinc/94/47/29/1203944729.db2.gz PSCSHIIXQPSHJA-YVAPMFQZSA-N 0 3 317.260 3.126 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1c(C)cc(C)cc1C ZINC001723110832 1203957772 /nfs/dbraw/zinc/95/77/72/1203957772.db2.gz FZNOAOAKVZHBOF-UHFFFAOYSA-N 0 3 322.880 3.345 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(Cl)ccc1C ZINC001723154439 1203958810 /nfs/dbraw/zinc/95/88/10/1203958810.db2.gz KALBCHPDUSMZQD-UHFFFAOYSA-N 0 3 315.244 3.453 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001723334226 1203964387 /nfs/dbraw/zinc/96/43/87/1203964387.db2.gz OGTSUCUMVPCXOU-GFCCVEGCSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nocc2C)[C@H](CC)C1 ZINC001723379037 1203966417 /nfs/dbraw/zinc/96/64/17/1203966417.db2.gz QVTOOTSLWZCSPY-CVEARBPZSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001723444197 1203972552 /nfs/dbraw/zinc/97/25/52/1203972552.db2.gz YZYSEHNMYHKGTG-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001723447255 1203973242 /nfs/dbraw/zinc/97/32/42/1203973242.db2.gz SGOSFMIDKFSMKJ-QWHCGFSZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001723482773 1203978115 /nfs/dbraw/zinc/97/81/15/1203978115.db2.gz DMZWDNCFDDBHNX-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN CCCCCC(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001723492102 1203979009 /nfs/dbraw/zinc/97/90/09/1203979009.db2.gz UBHMXLDDMAGZMV-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN C=C1CCC(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CC1 ZINC001723554255 1203982410 /nfs/dbraw/zinc/98/24/10/1203982410.db2.gz OZWZOGANHRVFIV-UHFFFAOYSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC ZINC001723656527 1203987701 /nfs/dbraw/zinc/98/77/01/1203987701.db2.gz ILHDCSFHYLNWSR-TVFCKZIOSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCOC ZINC001723665989 1203987874 /nfs/dbraw/zinc/98/78/74/1203987874.db2.gz UIPLKIQLHAYCLQ-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@]2(C1)CCCN(CC#CC)C2 ZINC001723680811 1203988279 /nfs/dbraw/zinc/98/82/79/1203988279.db2.gz QVCTYVRZNISTAS-FQEVSTJZSA-N 0 3 314.473 3.093 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001723740201 1203991344 /nfs/dbraw/zinc/99/13/44/1203991344.db2.gz FJCMQMOCCOWXFT-IEBWSBKVSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C=C(CC)CC)C2 ZINC001724125145 1204006154 /nfs/dbraw/zinc/00/61/54/1204006154.db2.gz BOBSWFXMWIEYFX-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCCCC(=O)NCC1(C)CCN(C[C@H](F)CC)CC1 ZINC001724295362 1204018594 /nfs/dbraw/zinc/01/85/94/1204018594.db2.gz RQMIJJDGKFCMCS-MRXNPFEDSA-N 0 3 310.457 3.146 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2=CCCCCC2)C1 ZINC001724317683 1204020850 /nfs/dbraw/zinc/02/08/50/1204020850.db2.gz FBVGLQJCXKGYPC-LJQANCHMSA-N 0 3 302.462 3.119 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2sc(C)cc2C)C1 ZINC001724323827 1204021219 /nfs/dbraw/zinc/02/12/19/1204021219.db2.gz VZZPPVCAFKQMFU-KRWDZBQOSA-N 0 3 306.475 3.383 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001724325521 1204021987 /nfs/dbraw/zinc/02/19/87/1204021987.db2.gz XXUMUOGXVGIZIT-QFBILLFUSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc3ccccc3o2)C1 ZINC001724344012 1204024505 /nfs/dbraw/zinc/02/45/05/1204024505.db2.gz WYAXPLNXEMQTHZ-IBGZPJMESA-N 0 3 312.413 3.451 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1F)C2 ZINC001724497514 1204026133 /nfs/dbraw/zinc/02/61/33/1204026133.db2.gz TVURFEAERXOKMO-UAGQMJEPSA-N 0 3 316.420 3.261 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001724603473 1204031995 /nfs/dbraw/zinc/03/19/95/1204031995.db2.gz UJQOXZYVFTYLKA-JNCUSGHUSA-N 0 3 319.276 3.346 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CCCCCC)C[C@@H]2C1 ZINC001724625573 1204034861 /nfs/dbraw/zinc/03/48/61/1204034861.db2.gz KXKDVFYXVXSWFI-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 ZINC001724740785 1204041999 /nfs/dbraw/zinc/04/19/99/1204041999.db2.gz KIJTXFCUAPIGLL-IRXDYDNUSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC3CCC2CC3)cc1 ZINC001724746462 1204042842 /nfs/dbraw/zinc/04/28/42/1204042842.db2.gz MOMIXEMOALGLPP-MUAOVLSHSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001724837708 1204051895 /nfs/dbraw/zinc/05/18/95/1204051895.db2.gz NJNWFYXTPNQLFX-IAGOWNOFSA-N 0 3 310.457 3.474 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CCCC)CC1)C2 ZINC001724895812 1204063958 /nfs/dbraw/zinc/06/39/58/1204063958.db2.gz DFLSGDSOAOYJTF-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@](C)(CC)CCC)C2 ZINC001724898019 1204064922 /nfs/dbraw/zinc/06/49/22/1204064922.db2.gz LEKROZLPHKIDRX-OALUTQOASA-N 0 3 304.478 3.151 20 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C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001725504007 1204160629 /nfs/dbraw/zinc/16/06/29/1204160629.db2.gz IDOREISMFREEPY-PXAZEXFGSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001725594519 1204174822 /nfs/dbraw/zinc/17/48/22/1204174822.db2.gz XXGLYEAKBXJTDY-ZBFHGGJFSA-N 0 3 312.413 3.478 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)C(CC)CC)CCC[C@@H]12 ZINC001725610076 1204178570 /nfs/dbraw/zinc/17/85/70/1204178570.db2.gz RWGSHLLLAXOUNK-SZVBFZGTSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1N(C[C@@H](F)CC)CC2 ZINC001725607500 1204178793 /nfs/dbraw/zinc/17/87/93/1204178793.db2.gz KTXLBGAJCFGMCL-MPGHIAIKSA-N 0 3 310.457 3.450 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001725622330 1204182672 /nfs/dbraw/zinc/18/26/72/1204182672.db2.gz HCZXZUVGGKECAJ-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccccc2)[C@@H]1C ZINC001725644572 1204189636 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CCC[C@H](C)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001731305377 1204368228 /nfs/dbraw/zinc/36/82/28/1204368228.db2.gz SPGCUPZSBUZBNW-SFHVURJKSA-N 0 3 314.473 3.303 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001731336358 1204376314 /nfs/dbraw/zinc/37/63/14/1204376314.db2.gz IHXVJKOGVCCGFL-LPHOPBHVSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@]1(C)CCC[C@H]1CC)C1CC1 ZINC001731336357 1204377269 /nfs/dbraw/zinc/37/72/69/1204377269.db2.gz IHXVJKOGVCCGFL-APWZRJJASA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C/C=C/Cc2ccccc2)CC1 ZINC001731361834 1204384257 /nfs/dbraw/zinc/38/42/57/1204384257.db2.gz AYHYODCQHGDMIH-BQYQJAHWSA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001731477857 1204425706 /nfs/dbraw/zinc/42/57/06/1204425706.db2.gz NPHYGSLKJGTXOG-BETUJISGSA-N 0 3 317.260 3.311 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccc(C)cc1 ZINC001731538479 1204449377 /nfs/dbraw/zinc/44/93/77/1204449377.db2.gz OISNRVAMFRJVQJ-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001731543534 1204453524 /nfs/dbraw/zinc/45/35/24/1204453524.db2.gz SXTRUAKZTPFSOV-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001731547061 1204455806 /nfs/dbraw/zinc/45/58/06/1204455806.db2.gz GNKAXOYAJIPQFH-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C[C@@H](CNC(=O)CC1=CCCCC1)NCc1ccc(C#N)s1 ZINC001731582783 1204471789 /nfs/dbraw/zinc/47/17/89/1204471789.db2.gz RKOXMIOGOHTETF-ZDUSSCGKSA-N 0 3 317.458 3.105 20 30 DGEDHN CN(C/C=C/c1ccccc1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001731717646 1204520189 /nfs/dbraw/zinc/52/01/89/1204520189.db2.gz WWWDPSJZYXMPON-MRSBXDGLSA-N 0 3 322.452 3.036 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2ccncc21 ZINC001731738240 1204529805 /nfs/dbraw/zinc/52/98/05/1204529805.db2.gz RNFYZFXTPCIADE-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C[C@H](C(=O)NCCN(C)CCc1ccccc1)c1ccccc1 ZINC001731795971 1204564515 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C=C(C)CN[C@@H](CNC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001732022377 1204652284 /nfs/dbraw/zinc/65/22/84/1204652284.db2.gz ITKAQCYWKHYCQR-HOTGVXAUSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2coc(CCC)n2)C1 ZINC001732040586 1204661534 /nfs/dbraw/zinc/66/15/34/1204661534.db2.gz GRNZNGISPIPNQP-HNNXBMFYSA-N 0 3 319.449 3.130 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001732083365 1204686594 /nfs/dbraw/zinc/68/65/94/1204686594.db2.gz SGKMPDBLTORJAK-FQEVSTJZSA-N 0 3 324.468 3.175 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCCN(CC/C=C/c2ccccc2)C1 ZINC001732091467 1204691808 /nfs/dbraw/zinc/69/18/08/1204691808.db2.gz AXLXTLIFDNCCHC-OJWOGGGRSA-N 0 3 324.468 3.330 20 30 DGEDHN C#CCCN1CC(CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001732137350 1204709601 /nfs/dbraw/zinc/70/96/01/1204709601.db2.gz GXNJVERQWHUVKZ-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1occc1C ZINC001732147388 1204713004 /nfs/dbraw/zinc/71/30/04/1204713004.db2.gz 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/nfs/dbraw/zinc/78/98/68/1204789868.db2.gz URQGLDQHLBJRES-GOSISDBHSA-N 0 3 300.446 3.098 20 30 DGEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)/C=C\C(C)(C)C ZINC001732336113 1204797071 /nfs/dbraw/zinc/79/70/71/1204797071.db2.gz CPPSRNRAGMQAPM-KVPUOBJLSA-N 0 3 313.445 3.002 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001732353662 1204801847 /nfs/dbraw/zinc/80/18/47/1204801847.db2.gz HOGZLJGRXITZDT-OAHLLOKOSA-N 0 3 313.445 3.147 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@@H](C)CNCc1ccccc1Cl ZINC001732413913 1204829174 /nfs/dbraw/zinc/82/91/74/1204829174.db2.gz VXWBQKPJRPWUPJ-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001732445987 1204844984 /nfs/dbraw/zinc/84/49/84/1204844984.db2.gz KGOWSVWUFSUAGU-ZIAGYGMSSA-N 0 3 321.490 3.383 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001732445985 1204845143 /nfs/dbraw/zinc/84/51/43/1204845143.db2.gz KGOWSVWUFSUAGU-KGLIPLIRSA-N 0 3 321.490 3.383 20 30 DGEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)Cc1ccc(C2CCC2)cc1 ZINC001732574866 1204903364 /nfs/dbraw/zinc/90/33/64/1204903364.db2.gz BZHFWMQEJKFHKV-HNNXBMFYSA-N 0 3 313.445 3.004 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001732587269 1204910458 /nfs/dbraw/zinc/91/04/58/1204910458.db2.gz RXABJBMNINKJIX-MOPGFXCFSA-N 0 3 314.473 3.222 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)c(OC)c(C)c1 ZINC001732695114 1204930678 /nfs/dbraw/zinc/93/06/78/1204930678.db2.gz QUDJZKFPUKFMSM-AWEZNQCLSA-N 0 3 324.852 3.163 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@]1(C)CCc2ccccc21 ZINC001732759611 1204939697 /nfs/dbraw/zinc/93/96/97/1204939697.db2.gz MMFMQVKSOOQEMI-KBXCAEBGSA-N 0 3 320.864 3.127 20 30 DGEDHN CCN(CCNCc1cc2ccccc2o1)C(=O)C#CC(C)C ZINC001732772647 1204942187 /nfs/dbraw/zinc/94/21/87/1204942187.db2.gz MYWGMCUHOIFFCN-UHFFFAOYSA-N 0 3 312.413 3.030 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2ccc(Cl)cc2)C1 ZINC001732897814 1204956571 /nfs/dbraw/zinc/95/65/71/1204956571.db2.gz QXIKTCOFBUMPLK-ONEGZZNKSA-N 0 3 318.848 3.458 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001732908136 1204957989 /nfs/dbraw/zinc/95/79/89/1204957989.db2.gz BNOXPYGCKULXSM-VJIACCKLSA-N 0 3 312.457 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1ccnc(Cl)c1 ZINC001732906675 1204958286 /nfs/dbraw/zinc/95/82/86/1204958286.db2.gz IOHLRYAICCMOHR-AATRIKPKSA-N 0 3 321.852 3.099 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001732908137 1204958324 /nfs/dbraw/zinc/95/83/24/1204958324.db2.gz BNOXPYGCKULXSM-YXBWYFRISA-N 0 3 312.457 3.102 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001733008818 1204979856 /nfs/dbraw/zinc/97/98/56/1204979856.db2.gz YVTRZJUHHJLEQM-AWEZNQCLSA-N 0 3 317.408 3.038 20 30 DGEDHN C=CCOCC(=O)N[C@@H](C)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC001733031151 1204988574 /nfs/dbraw/zinc/98/85/74/1204988574.db2.gz SWUSJFSNCYINBJ-UONOGXRCSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001733066184 1205015117 /nfs/dbraw/zinc/01/51/17/1205015117.db2.gz LCPZSLNWPLXBMA-RGYNNNPXSA-N 0 3 304.478 3.071 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001733068830 1205015846 /nfs/dbraw/zinc/01/58/46/1205015846.db2.gz SNJCUUSFJKKHNB-NVXWUHKLSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(F)cc2ccoc21 ZINC001733112780 1205025390 /nfs/dbraw/zinc/02/53/90/1205025390.db2.gz RBYANSAQRQFVBL-UHFFFAOYSA-N 0 3 324.783 3.376 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001733117240 1205025684 /nfs/dbraw/zinc/02/56/84/1205025684.db2.gz PPSCXEYFLGOVLG-CVEARBPZSA-N 0 3 312.885 3.393 20 30 DGEDHN CC(C)(C)CC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001733164442 1205031665 /nfs/dbraw/zinc/03/16/65/1205031665.db2.gz MFYSFSCVSNFKJB-HNNXBMFYSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001733216613 1205047740 /nfs/dbraw/zinc/04/77/40/1205047740.db2.gz XKAHEPQPOYABIR-ZBFHGGJFSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001733216612 1205048628 /nfs/dbraw/zinc/04/86/28/1205048628.db2.gz XKAHEPQPOYABIR-HOCLYGCPSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001733222131 1205052602 /nfs/dbraw/zinc/05/26/02/1205052602.db2.gz KZSWCCLQUKLIRK-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001733221749 1205052816 /nfs/dbraw/zinc/05/28/16/1205052816.db2.gz QZZFVXUJJQHIIB-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001733228911 1205058693 /nfs/dbraw/zinc/05/86/93/1205058693.db2.gz SUXOGPAKMQNQDD-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001733229600 1205058799 /nfs/dbraw/zinc/05/87/99/1205058799.db2.gz LFNQTRSLOGRPAM-KBPBESRZSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001733234875 1205061848 /nfs/dbraw/zinc/06/18/48/1205061848.db2.gz XFEGQTHSWYOTAC-DLBZAZTESA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001733249511 1205068529 /nfs/dbraw/zinc/06/85/29/1205068529.db2.gz CJQOTKUTDWDYBS-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN CCCCC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001733322762 1205096184 /nfs/dbraw/zinc/09/61/84/1205096184.db2.gz VKVRMRKUBUVQRL-YJBOKZPZSA-N 0 3 313.445 3.218 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CN[C@@H](C)c1ccccc1F ZINC001733336791 1205099236 /nfs/dbraw/zinc/09/92/36/1205099236.db2.gz DABBISUQNYRVFT-GJZGRUSLSA-N 0 3 304.409 3.434 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)CCCC)C2 ZINC001733393124 1205115363 /nfs/dbraw/zinc/11/53/63/1205115363.db2.gz OEZZSXHLVJCXNP-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001733404282 1205119854 /nfs/dbraw/zinc/11/98/54/1205119854.db2.gz AMUWTPWFTQGOPT-SFHVURJKSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001733409662 1205121923 /nfs/dbraw/zinc/12/19/23/1205121923.db2.gz BVNSUVHHMBVFSS-QFBILLFUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2ccc(CCCC)cc2)C1 ZINC001733407609 1205122106 /nfs/dbraw/zinc/12/21/06/1205122106.db2.gz KWLKLRFWJUDTJB-HXUWFJFHSA-N 0 3 314.473 3.338 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001733458459 1205142137 /nfs/dbraw/zinc/14/21/37/1205142137.db2.gz GJSUSSAAXBTBEM-QGZVFWFLSA-N 0 3 323.387 3.037 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(CC[C@H](C)F)CCC1(F)F ZINC001733477279 1205149624 /nfs/dbraw/zinc/14/96/24/1205149624.db2.gz NLJRHQVRXZDZOW-QWHCGFSZSA-N 0 3 320.399 3.020 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)o1)c1ccccc1CC ZINC001733513436 1205151149 /nfs/dbraw/zinc/15/11/49/1205151149.db2.gz LHPASGFQYGRVHD-GOSISDBHSA-N 0 3 324.424 3.234 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)CCC(C)C)C2)CC1 ZINC001733515257 1205151178 /nfs/dbraw/zinc/15/11/78/1205151178.db2.gz UWJNSDQENOWPFU-LJQANCHMSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](CCCC)C(C)C)[C@@H]2C1 ZINC001733606132 1205172556 /nfs/dbraw/zinc/17/25/56/1205172556.db2.gz QOECOBBOILQLQY-GBESFXJTSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001733643150 1205176229 /nfs/dbraw/zinc/17/62/29/1205176229.db2.gz ZJNODMNBYISZQH-ZDUSSCGKSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001733676178 1205180924 /nfs/dbraw/zinc/18/09/24/1205180924.db2.gz LHHJVSCRDGNVIK-MNAZLIDISA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)c1ccccc1[O-] ZINC001733677508 1205181721 /nfs/dbraw/zinc/18/17/21/1205181721.db2.gz HZWGSEFYIQGFPK-UHFFFAOYSA-N 0 3 324.424 3.330 20 30 DGEDHN C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)c1ccccc1[O-] ZINC001733677508 1205181722 /nfs/dbraw/zinc/18/17/22/1205181722.db2.gz HZWGSEFYIQGFPK-UHFFFAOYSA-N 0 3 324.424 3.330 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC2=CCCCC2)cc1 ZINC001733681952 1205183200 /nfs/dbraw/zinc/18/32/00/1205183200.db2.gz MRWMONIBJOKETE-MRXNPFEDSA-N 0 3 310.441 3.477 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc(-c3ccoc3)c2)CCC1 ZINC001733725566 1205195792 /nfs/dbraw/zinc/19/57/92/1205195792.db2.gz LIEPNJVEROEETR-UHFFFAOYSA-N 0 3 322.408 3.212 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](CCC=C)c2ccccc2)CC1 ZINC001733766649 1205205669 /nfs/dbraw/zinc/20/56/69/1205205669.db2.gz XNVSZIZFIVBEQO-UXHICEINSA-N 0 3 324.468 3.340 20 30 DGEDHN C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)C#CC1CC1 ZINC001733773200 1205210893 /nfs/dbraw/zinc/21/08/93/1205210893.db2.gz YKJRAMMZJZROFB-HNNXBMFYSA-N 0 3 316.420 3.080 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001733778381 1205214373 /nfs/dbraw/zinc/21/43/73/1205214373.db2.gz KEFQTFVAAMRKTP-INIZCTEOSA-N 0 3 318.436 3.123 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C(C)C ZINC001733908570 1205251546 /nfs/dbraw/zinc/25/15/46/1205251546.db2.gz ZVEDKOPNNHTTHH-SFHVURJKSA-N 0 3 300.446 3.324 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CCC(F)F)CC1 ZINC001733920019 1205254557 /nfs/dbraw/zinc/25/45/57/1205254557.db2.gz RORDQUKTEYHXGO-UHFFFAOYSA-N 0 3 322.827 3.345 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c[nH]c2ccc(F)cc12 ZINC001733942406 1205267956 /nfs/dbraw/zinc/26/79/56/1205267956.db2.gz BACBDMIFUUBHAI-CQSZACIVSA-N 0 3 315.392 3.029 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001733955868 1205270442 /nfs/dbraw/zinc/27/04/42/1205270442.db2.gz LJDOITCDMFZZGM-CPCZMJQVSA-N 0 3 320.811 3.049 20 30 DGEDHN CCCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001733963658 1205272364 /nfs/dbraw/zinc/27/23/64/1205272364.db2.gz PBILJLUOGNJMQN-ZIAGYGMSSA-N 0 3 319.424 3.260 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNCc1cc(C)no1 ZINC001734018714 1205290251 /nfs/dbraw/zinc/29/02/51/1205290251.db2.gz WZNALZQYGYFZEK-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001734054450 1205307215 /nfs/dbraw/zinc/30/72/15/1205307215.db2.gz JBXARKSZBZLDQW-VBNZEHGJSA-N 0 3 306.837 3.066 20 30 DGEDHN C=CC1(CC(=O)N[C@H](C)C2CN(CCCF)C2)CCCCC1 ZINC001734124551 1205330622 /nfs/dbraw/zinc/33/06/22/1205330622.db2.gz UJRJPITYBXFEOA-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001734124796 1205330813 /nfs/dbraw/zinc/33/08/13/1205330813.db2.gz AQFIAJSHVICQBH-CVEARBPZSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](C)C1CN(CCCF)C1)c1ccccc1 ZINC001734127148 1205331315 /nfs/dbraw/zinc/33/13/15/1205331315.db2.gz YEDNKCBCJIRHIY-HZPDHXFCSA-N 0 3 318.436 3.142 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H](CC)C(C)(C)C)C[C@]2(C)C1 ZINC001734204876 1205343450 /nfs/dbraw/zinc/34/34/50/1205343450.db2.gz AXUKUVSYFPJVOH-FFZOFVMBSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001734213497 1205344225 /nfs/dbraw/zinc/34/42/25/1205344225.db2.gz ZUYMOIHYGWSMHH-YDHLFZDLSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001734213496 1205344445 /nfs/dbraw/zinc/34/44/45/1205344445.db2.gz ZUYMOIHYGWSMHH-UMVBOHGHSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc2c(c1)CCC2 ZINC001734263811 1205351050 /nfs/dbraw/zinc/35/10/50/1205351050.db2.gz DTBXGNOAGNUYQF-AWEZNQCLSA-N 0 3 320.864 3.416 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001734316657 1205363218 /nfs/dbraw/zinc/36/32/18/1205363218.db2.gz JGIMZXKUUPQFFC-SJKOYZFVSA-N 0 3 322.399 3.355 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001734343817 1205368326 /nfs/dbraw/zinc/36/83/26/1205368326.db2.gz UAPPXJRTXZODRI-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN CCC(CC)CC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001734348134 1205369018 /nfs/dbraw/zinc/36/90/18/1205369018.db2.gz CQNVIVCXKABPOC-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001734348968 1205369192 /nfs/dbraw/zinc/36/91/92/1205369192.db2.gz LYZDNJGPQMNANO-ROUUACIJSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cncc(C)c2)C[C@@H]1C ZINC001734422490 1205374852 /nfs/dbraw/zinc/37/48/52/1205374852.db2.gz URFXPSGRGJQVQQ-DOTOQJQBSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001734489516 1205386451 /nfs/dbraw/zinc/38/64/51/1205386451.db2.gz OHCDAQFCPHDSLL-YOEHRIQHSA-N 0 3 316.445 3.187 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cnc(C)s1)C(C)(C)C ZINC001734556899 1205393763 /nfs/dbraw/zinc/39/37/63/1205393763.db2.gz MCLNEQXMGKCRLJ-CQSZACIVSA-N 0 3 309.479 3.038 20 30 DGEDHN CN(C(=O)CC1CCCC1)C1CC(NCC#Cc2ccccc2)C1 ZINC001734589245 1205401992 /nfs/dbraw/zinc/40/19/92/1205401992.db2.gz LSONRBPADJCBMH-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(NCc2ccccc2Cl)C1 ZINC001734591678 1205402368 /nfs/dbraw/zinc/40/23/68/1205402368.db2.gz LXLJERHRSZEWSD-UHFFFAOYSA-N 0 3 306.837 3.385 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H](C)CCC)CC2)CC1 ZINC001734602923 1205404535 /nfs/dbraw/zinc/40/45/35/1205404535.db2.gz BKJVCDJYXRFLOV-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC001169539346 1081585938 /nfs/dbraw/zinc/58/59/38/1081585938.db2.gz HVTJVAYDCGBNIV-AEFFLSMTSA-N 0 3 312.457 3.063 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(CC=C)C[C@H]1C)c1ccccc1 ZINC001211495475 1081625480 /nfs/dbraw/zinc/62/54/80/1081625480.db2.gz NNPGZSXHSXYHRZ-NZSAHSFTSA-N 0 3 312.457 3.359 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001266308198 1081654272 /nfs/dbraw/zinc/65/42/72/1081654272.db2.gz RKPYJBDOWFUEAN-CQSZACIVSA-N 0 3 309.479 3.226 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@@H](C)C(F)(F)F)C2 ZINC001208893767 1081661500 /nfs/dbraw/zinc/66/15/00/1081661500.db2.gz YGQULWQCERWDKJ-RDBSUJKOSA-N 0 3 307.356 3.011 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001266320567 1081663367 /nfs/dbraw/zinc/66/33/67/1081663367.db2.gz MELWMJCVXXCAFD-LJQANCHMSA-N 0 3 302.462 3.399 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001266320566 1081663615 /nfs/dbraw/zinc/66/36/15/1081663615.db2.gz MELWMJCVXXCAFD-IBGZPJMESA-N 0 3 302.462 3.399 20 30 DGEDHN CN1CC=C(Nc2cc(Br)cc(F)c2C#N)CC1 ZINC001208930982 1081669598 /nfs/dbraw/zinc/66/95/98/1081669598.db2.gz WKHIXAMHMDVHJR-UHFFFAOYSA-N 0 3 310.170 3.091 20 30 DGEDHN CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccc(C#N)s1 ZINC001087110316 1081672869 /nfs/dbraw/zinc/67/28/69/1081672869.db2.gz GEQYOOULDSRBHW-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001266336624 1081677630 /nfs/dbraw/zinc/67/76/30/1081677630.db2.gz SIMQCTWKISGTFS-HNNXBMFYSA-N 0 3 306.475 3.268 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001266345560 1081687607 /nfs/dbraw/zinc/68/76/07/1081687607.db2.gz WTKYRBJDUBBJRX-QZTJIDSGSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001108855470 1081723611 /nfs/dbraw/zinc/72/36/11/1081723611.db2.gz HOBZNOODQZBRCK-RDBSUJKOSA-N 0 3 300.393 3.110 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCCC23CC3)CC1 ZINC001266388473 1081731355 /nfs/dbraw/zinc/73/13/55/1081731355.db2.gz FFRVWQGOGBMYTB-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(Cl)cc1 ZINC001266390584 1081735884 /nfs/dbraw/zinc/73/58/84/1081735884.db2.gz CZMOBXLXMUWHKV-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001204442582 1081751495 /nfs/dbraw/zinc/75/14/95/1081751495.db2.gz FGZNDOLLQTWZOS-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cnc(C)s1)C1CC1 ZINC001266424855 1081784327 /nfs/dbraw/zinc/78/43/27/1081784327.db2.gz WULSTOJTZKMAIR-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN CCC(C)(C)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001266427110 1081788905 /nfs/dbraw/zinc/78/89/05/1081788905.db2.gz UTIYVTLDYQTDAG-HNNXBMFYSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001109339311 1081804086 /nfs/dbraw/zinc/80/40/86/1081804086.db2.gz CLVZLCDJILZWKI-IKGGRYGDSA-N 0 3 322.493 3.127 20 30 DGEDHN C/C=C(\C)C(=O)N1CCC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001266452810 1081843030 /nfs/dbraw/zinc/84/30/30/1081843030.db2.gz RQWMVUBZDVQJEW-VXQLYJCQSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)co1 ZINC001266491839 1081891731 /nfs/dbraw/zinc/89/17/31/1081891731.db2.gz ZESPUHULJOWOHV-HRCADAONSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC[C@@H](C)CC)C[C@H](C)O2 ZINC001111550455 1081893123 /nfs/dbraw/zinc/89/31/23/1081893123.db2.gz BQEUHZNHRXFUQF-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccc1 ZINC001266493920 1081894521 /nfs/dbraw/zinc/89/45/21/1081894521.db2.gz GZROSEMNHAFMNB-KDURUIRLSA-N 0 3 312.457 3.261 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CCCCC)C2 ZINC001109806792 1081917101 /nfs/dbraw/zinc/91/71/01/1081917101.db2.gz QPPMSUPQGZQIEC-BDXSIMOUSA-N 0 3 304.478 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC(C)C)C2 ZINC001109802720 1081917638 /nfs/dbraw/zinc/91/76/38/1081917638.db2.gz FNYCJRRSRBERRD-SQNIBIBYSA-N 0 3 304.478 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CCCC1)C2 ZINC001109856480 1081924828 /nfs/dbraw/zinc/92/48/28/1081924828.db2.gz OEIHJTGKAHIWHI-SQNIBIBYSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCCCC)C2 ZINC001110023032 1081950855 /nfs/dbraw/zinc/95/08/55/1081950855.db2.gz IJFDDBXWOAJCCQ-SQNIBIBYSA-N 0 3 304.478 3.482 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C2 ZINC001110050195 1081953986 /nfs/dbraw/zinc/95/39/86/1081953986.db2.gz SLEONBLKBCHTDH-AGIUHOORSA-N 0 3 318.383 3.263 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCN(CCC(F)(F)F)C2)CCC1 ZINC001266533603 1081963240 /nfs/dbraw/zinc/96/32/40/1081963240.db2.gz MUWUYSYOBQWHTD-CYBMUJFWSA-N 0 3 318.383 3.123 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001086544953 1081980255 /nfs/dbraw/zinc/98/02/55/1081980255.db2.gz MCRKKNDFXQTKHN-YJQQZRKUSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001086548629 1081986439 /nfs/dbraw/zinc/98/64/39/1081986439.db2.gz UWBPCHKLRYJOTL-MQMHXKEQSA-N 0 3 317.820 3.018 20 30 DGEDHN CC/C=C(/C)C(=O)NCCN(CCC)Cc1cccc(C#N)c1 ZINC001266556525 1081994363 /nfs/dbraw/zinc/99/43/63/1081994363.db2.gz PWYVVBLMROYRGY-APSNUPSMSA-N 0 3 313.445 3.243 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1coc2cc(C)c(C)cc21 ZINC001266566525 1082005674 /nfs/dbraw/zinc/00/56/74/1082005674.db2.gz GRJYUMQHZAUNBD-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001266567833 1082007149 /nfs/dbraw/zinc/00/71/49/1082007149.db2.gz UVXGREACZVRSDS-MIUTZJKYSA-N 0 3 318.848 3.289 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cnc2ccccc2c1C)C1CC1 ZINC001266602371 1082051273 /nfs/dbraw/zinc/05/12/73/1082051273.db2.gz DFACOPXJPPALCC-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001112961731 1082065854 /nfs/dbraw/zinc/06/58/54/1082065854.db2.gz LMURHWLUFZOGSX-CYBMUJFWSA-N 0 3 318.383 3.218 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CCCC2)C1 ZINC001086572173 1082097870 /nfs/dbraw/zinc/09/78/70/1082097870.db2.gz KDRSPXVISYCFON-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001113123172 1082120301 /nfs/dbraw/zinc/12/03/01/1082120301.db2.gz LHKDAISBYDVGTI-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001086581764 1082130871 /nfs/dbraw/zinc/13/08/71/1082130871.db2.gz MFFOEFQLYIRFBM-AYOQOUSVSA-N 0 3 312.457 3.193 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001266746033 1082184340 /nfs/dbraw/zinc/18/43/40/1082184340.db2.gz BHHXRKOBDGVFFX-MRXNPFEDSA-N 0 3 318.486 3.270 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@H](CC)CCCC)C1 ZINC001266755211 1082191571 /nfs/dbraw/zinc/19/15/71/1082191571.db2.gz NBZQBSGBAOUIHI-QZTJIDSGSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC001113400328 1082200388 /nfs/dbraw/zinc/20/03/88/1082200388.db2.gz LEPADVKGTCOQFU-SJORKVTESA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC001113546655 1082244718 /nfs/dbraw/zinc/24/47/18/1082244718.db2.gz DMWXMEWVKCVPHX-JKSUJKDBSA-N 0 3 304.434 3.272 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001113611468 1082264451 /nfs/dbraw/zinc/26/44/51/1082264451.db2.gz PIEKNVMRQPVCJY-GOSISDBHSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001113617778 1082266352 /nfs/dbraw/zinc/26/63/52/1082266352.db2.gz HFIPTWZRZUZMEV-QGZVFWFLSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccccc1C ZINC001266860014 1082275337 /nfs/dbraw/zinc/27/53/37/1082275337.db2.gz VIXIZRCOCYKSQU-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CCOC)CCCCC1 ZINC001266858791 1082275409 /nfs/dbraw/zinc/27/54/09/1082275409.db2.gz HQJUABXWWFYRQG-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001170282700 1082340360 /nfs/dbraw/zinc/34/03/60/1082340360.db2.gz MUWCULHFPSNHBA-HNNXBMFYSA-N 0 3 321.490 3.101 20 30 DGEDHN C[C@@]1(O)CCN(C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1F ZINC001170379118 1082362455 /nfs/dbraw/zinc/36/24/55/1082362455.db2.gz QLQFBAJOLTYGMF-CXUOOODFSA-N 0 3 316.420 3.185 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001086608982 1082376695 /nfs/dbraw/zinc/37/66/95/1082376695.db2.gz JSRJRXKEAQQWBP-RBUKOAKNSA-N 0 3 324.468 3.337 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCCCNC/C(Cl)=C/Cl ZINC001170426620 1082393313 /nfs/dbraw/zinc/39/33/13/1082393313.db2.gz XILDRKQUPWCLJQ-KECPUOCWSA-N 0 3 319.276 3.374 20 30 DGEDHN CN(C)/C=N/c1ccc(NCC#Cc2ccccc2)cc1C#N ZINC001170429509 1082399678 /nfs/dbraw/zinc/39/96/78/1082399678.db2.gz GWWULTJDMJUSEQ-PXLXIMEGSA-N 0 3 302.381 3.243 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](CC)CCC)CC1 ZINC001167542868 1082485295 /nfs/dbraw/zinc/48/52/95/1082485295.db2.gz IQARYKOYGHWLNN-CQSZACIVSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001267080990 1082487086 /nfs/dbraw/zinc/48/70/86/1082487086.db2.gz HHNGOVQCKABIOU-KGLIPLIRSA-N 0 3 307.463 3.016 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC001267082671 1082487800 /nfs/dbraw/zinc/48/78/00/1082487800.db2.gz SFKAPGWXTPDMGE-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)CC1CCCCC1 ZINC001167553076 1082505301 /nfs/dbraw/zinc/50/53/01/1082505301.db2.gz UUVPMXNUKMLZRU-ZDUSSCGKSA-N 0 3 300.874 3.441 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001267117173 1082535555 /nfs/dbraw/zinc/53/55/55/1082535555.db2.gz QBENAEFDDXTERP-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H](C)NCc1cccc(F)c1F ZINC001267131756 1082548850 /nfs/dbraw/zinc/54/88/50/1082548850.db2.gz STSMTPUDLSXLTE-CYBMUJFWSA-N 0 3 310.388 3.306 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1CN(C)Cc1ccccc1 ZINC001157939433 1082562220 /nfs/dbraw/zinc/56/22/20/1082562220.db2.gz AHYUIOOYMLWQMB-LJQANCHMSA-N 0 3 312.457 3.159 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(Cl)cs1 ZINC001267147527 1082564669 /nfs/dbraw/zinc/56/46/69/1082564669.db2.gz BBGZPUQCUMOFRK-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(F)c1Cl ZINC001267146847 1082564930 /nfs/dbraw/zinc/56/49/30/1082564930.db2.gz XXLPDBMDDQINSR-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001086635110 1082570360 /nfs/dbraw/zinc/57/03/60/1082570360.db2.gz XSPFFWUXNMVDPN-GOEBONIOSA-N 0 3 306.837 3.236 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(-c2cccs2)o1 ZINC001267230143 1082669575 /nfs/dbraw/zinc/66/95/75/1082669575.db2.gz ROSOEZTZNMFIKF-UHFFFAOYSA-N 0 3 304.415 3.246 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@@H](C)O2 ZINC001131688168 1082703568 /nfs/dbraw/zinc/70/35/68/1082703568.db2.gz HTGYMDQWPAZISS-APWZRJJASA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@H](C)O2 ZINC001131688169 1082703833 /nfs/dbraw/zinc/70/38/33/1082703833.db2.gz HTGYMDQWPAZISS-LPHOPBHVSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001267272612 1082733375 /nfs/dbraw/zinc/73/33/75/1082733375.db2.gz QRZXVPUZJVLMIQ-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1C ZINC001267278416 1082740383 /nfs/dbraw/zinc/74/03/83/1082740383.db2.gz JSERDHBXJXEARO-IAGOWNOFSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cncs2)CC[C@H]1C ZINC001131839010 1082746084 /nfs/dbraw/zinc/74/60/84/1082746084.db2.gz MIBILSUTBVNCQS-HUUCEWRRSA-N 0 3 321.490 3.472 20 30 DGEDHN Cc1cnc(N[C@](C)(C#N)c2ccccc2Cl)c(CN)c1 ZINC001158481687 1082752989 /nfs/dbraw/zinc/75/29/89/1082752989.db2.gz APFMNMKNMLFNTL-MRXNPFEDSA-N 0 3 300.793 3.353 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131900112 1082758103 /nfs/dbraw/zinc/75/81/03/1082758103.db2.gz TURYIYFWLXQESB-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001131899128 1082758899 /nfs/dbraw/zinc/75/88/99/1082758899.db2.gz IVHXISAEKNTTHI-AEFFLSMTSA-N 0 3 300.446 3.430 20 30 DGEDHN CCCN(CCNC(=O)CC1CCC1)Cc1cccc(C#N)c1 ZINC001267311965 1082777155 /nfs/dbraw/zinc/77/71/55/1082777155.db2.gz LBTGBYYCNVKPBS-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc2ccccc2c1 ZINC001158521789 1082777961 /nfs/dbraw/zinc/77/79/61/1082777961.db2.gz FUABFZJVXICBEY-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1ccc(C)cc1C)C1CC1 ZINC001267322746 1082795035 /nfs/dbraw/zinc/79/50/35/1082795035.db2.gz NIRYREARLIFAAA-UHFFFAOYSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCN(CCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC001267327867 1082800177 /nfs/dbraw/zinc/80/01/77/1082800177.db2.gz CMJHTFQJUTWECZ-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC(C)(C)CC)C[C@H]1c1ccccc1 ZINC001211607287 1082800994 /nfs/dbraw/zinc/80/09/94/1082800994.db2.gz ALKAWNUAJRUHDH-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)cc1C ZINC001132047280 1082806496 /nfs/dbraw/zinc/80/64/96/1082806496.db2.gz WAYVXKXUBBHVCH-YLJYHZDGSA-N 0 3 324.468 3.186 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132114738 1082822744 /nfs/dbraw/zinc/82/27/44/1082822744.db2.gz HUVONKNKBLMVNT-GDBMZVCRSA-N 0 3 306.475 3.226 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC001267377201 1082846843 /nfs/dbraw/zinc/84/68/43/1082846843.db2.gz NQJJELJLDKAQLJ-WMZOPIPTSA-N 0 3 324.424 3.162 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCCC(C)C)C1 ZINC001132252727 1082854643 /nfs/dbraw/zinc/85/46/43/1082854643.db2.gz JGVDOIOVALTYTH-ZWKOTPCHSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC2CCC2)C1 ZINC001132256332 1082859229 /nfs/dbraw/zinc/85/92/29/1082859229.db2.gz MKKCNFRRKFSBFM-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(CCCC)CC2)CC[C@H]1C ZINC001132278776 1082868939 /nfs/dbraw/zinc/86/89/39/1082868939.db2.gz QRPXAEXOCWAMQA-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132368622 1082891679 /nfs/dbraw/zinc/89/16/79/1082891679.db2.gz OTFFCGIPSKARTL-ROUUACIJSA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cscc2C)C1 ZINC001267454042 1082892456 /nfs/dbraw/zinc/89/24/56/1082892456.db2.gz JSCVGIKABWSGFK-HNNXBMFYSA-N 0 3 304.459 3.006 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2)CC[C@H]1C ZINC001132444940 1082913476 /nfs/dbraw/zinc/91/34/76/1082913476.db2.gz IQCDPSGYQDDKDN-SJLPKXTDSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccccc2Cl)CC[C@H]1C ZINC001132467398 1082919570 /nfs/dbraw/zinc/91/95/70/1082919570.db2.gz DSVOVIRVEIVDQR-GDBMZVCRSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(CC)cc2)CC[C@@H]1C ZINC001132481516 1082922678 /nfs/dbraw/zinc/92/26/78/1082922678.db2.gz GTZLJLFEKJJEOU-LPHOPBHVSA-N 0 3 314.473 3.337 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001480949904 1082925644 /nfs/dbraw/zinc/92/56/44/1082925644.db2.gz NPULTUIHYIHQFJ-HNNXBMFYSA-N 0 3 306.425 3.019 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@@H]1C ZINC001132505092 1082928923 /nfs/dbraw/zinc/92/89/23/1082928923.db2.gz OYPYRNFOIPVEAH-HOTGVXAUSA-N 0 3 306.494 3.441 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132530616 1082934882 /nfs/dbraw/zinc/93/48/82/1082934882.db2.gz ZRPBHWNEYCUFOQ-IRXDYDNUSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001132529291 1082935463 /nfs/dbraw/zinc/93/54/63/1082935463.db2.gz LBFHAYAMEXAHDG-QWHCGFSZSA-N 0 3 310.438 3.436 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc2ccccc2c1 ZINC001493328909 1082935846 /nfs/dbraw/zinc/93/58/46/1082935846.db2.gz CFQZAPVCLFOUSY-UHFFFAOYSA-N 0 3 308.425 3.305 20 30 DGEDHN C=CCCC[NH2+][C@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001267482645 1082939205 /nfs/dbraw/zinc/93/92/05/1082939205.db2.gz MLPLNTZLOFGYNP-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC=C)CCCC2)CC[C@H]1C ZINC001132546538 1082939210 /nfs/dbraw/zinc/93/92/10/1082939210.db2.gz NRJPSWPIHKRMOH-IAGOWNOFSA-N 0 3 302.462 3.115 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(Cl)cc2)C1 ZINC001267488919 1082945525 /nfs/dbraw/zinc/94/55/25/1082945525.db2.gz RZCJZTXPHRMHQZ-QGZVFWFLSA-N 0 3 318.848 3.290 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001132565818 1082947408 /nfs/dbraw/zinc/94/74/08/1082947408.db2.gz ZQZCFNHMUUSEMN-JKSUJKDBSA-N 0 3 318.461 3.138 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132569656 1082948270 /nfs/dbraw/zinc/94/82/70/1082948270.db2.gz VZYUXSCTQWEWAE-RYUDHWBXSA-N 0 3 312.816 3.143 20 30 DGEDHN C/C=C(/C)C(=O)NCCCN(Cc1ccc(C#N)s1)C(C)C ZINC001267500711 1082960122 /nfs/dbraw/zinc/96/01/22/1082960122.db2.gz GWGAQVPTBGIDEH-RZNTYIFUSA-N 0 3 319.474 3.303 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132653072 1082967977 /nfs/dbraw/zinc/96/79/77/1082967977.db2.gz DMOAHMCBNAIMBV-HNNXBMFYSA-N 0 3 317.477 3.322 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001132662979 1082974934 /nfs/dbraw/zinc/97/49/34/1082974934.db2.gz NBIYEEPVMOKSAO-OLZOCXBDSA-N 0 3 310.388 3.334 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(C=C)cc3)C(C)(C)[C@H]21 ZINC001087304887 1082975742 /nfs/dbraw/zinc/97/57/42/1082975742.db2.gz JAHFHDCLRJDXKI-QYZOEREBSA-N 0 3 322.452 3.182 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132667453 1082975754 /nfs/dbraw/zinc/97/57/54/1082975754.db2.gz LSXXTLJXQFWNBF-LBPRGKRZSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)c1ccccc1 ZINC001267526575 1082989508 /nfs/dbraw/zinc/98/95/08/1082989508.db2.gz QMXMTCZMJXWONJ-WMDIELAYSA-N 0 3 324.468 3.302 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1cc(F)ccc1C ZINC001480992915 1083064876 /nfs/dbraw/zinc/06/48/76/1083064876.db2.gz GWIDQJCIKGTJLM-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN Cc1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c(C#N)n1 ZINC001170681453 1083102761 /nfs/dbraw/zinc/10/27/61/1083102761.db2.gz GAOFGILQXYQVKC-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@](C)(C=C)CC)c(F)c1 ZINC001279716015 1083109992 /nfs/dbraw/zinc/10/99/92/1083109992.db2.gz MDUNJOIKIRUKEB-SFHVURJKSA-N 0 3 304.409 3.320 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104561940 1083113434 /nfs/dbraw/zinc/11/34/34/1083113434.db2.gz BZZMPULCVCIONJ-FVQBIDKESA-N 0 3 312.885 3.415 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C=C1CCC1 ZINC001133390703 1083113869 /nfs/dbraw/zinc/11/38/69/1083113869.db2.gz FFSIBJIKOCXDLK-UHFFFAOYSA-N 0 3 316.832 3.002 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1C ZINC001104565105 1083115855 /nfs/dbraw/zinc/11/58/55/1083115855.db2.gz ZISZYUUZWZFAAH-TZMCWYRMSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104563784 1083116026 /nfs/dbraw/zinc/11/60/26/1083116026.db2.gz UURONUNQRSRPML-IIAWOOMASA-N 0 3 312.885 3.415 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)C1CCCC1)NCc1ccccc1C#N ZINC001133466068 1083130738 /nfs/dbraw/zinc/13/07/38/1083130738.db2.gz WVWYNPGTZYHISM-HUUCEWRRSA-N 0 3 313.445 3.121 20 30 DGEDHN COc1ccc(CN(C)CCN(C)Cc2ccccc2)c(C#N)c1 ZINC001137705809 1083147336 /nfs/dbraw/zinc/14/73/36/1083147336.db2.gz BAZGVOWELCGMNI-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CCC(C)C ZINC001133605929 1083161592 /nfs/dbraw/zinc/16/15/92/1083161592.db2.gz BBFKESABLRCVNB-OLZOCXBDSA-N 0 3 319.287 3.204 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133606622 1083164317 /nfs/dbraw/zinc/16/43/17/1083164317.db2.gz MRNFCMKWQLEBDR-HZPDHXFCSA-N 0 3 315.461 3.367 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC001267610573 1083195934 /nfs/dbraw/zinc/19/59/34/1083195934.db2.gz GLUVZPMRRYSODO-QGZVFWFLSA-N 0 3 321.440 3.385 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001481154734 1083215527 /nfs/dbraw/zinc/21/55/27/1083215527.db2.gz PZKKVZPEFCKLNN-UHFFFAOYSA-N 0 3 323.440 3.147 20 30 DGEDHN CC(C)C#CC(=O)NCCN([C@@H](C)c1ccc(F)cc1)C1CC1 ZINC001481167760 1083220835 /nfs/dbraw/zinc/22/08/35/1083220835.db2.gz CPICRHXKEVERHH-HNNXBMFYSA-N 0 3 316.420 3.127 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(F)c(C(F)F)c1)C1CC1 ZINC001481171107 1083222895 /nfs/dbraw/zinc/22/28/95/1083222895.db2.gz YKFLXXACGXYQLM-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CCCCc1ccc(C)cc1 ZINC001283722672 1083242035 /nfs/dbraw/zinc/24/20/35/1083242035.db2.gz LWLBMDYXMPWIDW-GOSISDBHSA-N 0 3 314.473 3.168 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)C1=CCCC1)NCc1ccccc1C#N ZINC001134122239 1083245375 /nfs/dbraw/zinc/24/53/75/1083245375.db2.gz BBVUVTCRQRRUCV-GJZGRUSLSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2cnc(C)s2)C1 ZINC001267683062 1083261845 /nfs/dbraw/zinc/26/18/45/1083261845.db2.gz JBAHJIQAQPPFJK-HNNXBMFYSA-N 0 3 321.490 3.088 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1Cl ZINC001267712400 1083277052 /nfs/dbraw/zinc/27/70/52/1083277052.db2.gz POSADSFLQJUQHG-STQMWFEESA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)cc(Cl)c1 ZINC001267713157 1083277797 /nfs/dbraw/zinc/27/77/97/1083277797.db2.gz ZMQUWEHYOZQUJB-HOTGVXAUSA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001267722809 1083283326 /nfs/dbraw/zinc/28/33/26/1083283326.db2.gz MCARBNUJXBTFBH-KXBFYZLASA-N 0 3 312.457 3.393 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001134412019 1083285261 /nfs/dbraw/zinc/28/52/61/1083285261.db2.gz QGBGDCQMLXSWGX-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@H](C)NCc1conc1C ZINC001134419271 1083287216 /nfs/dbraw/zinc/28/72/16/1083287216.db2.gz VPGXSQUYLJRGMB-UONOGXRCSA-N 0 3 319.449 3.124 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134419019 1083287364 /nfs/dbraw/zinc/28/73/64/1083287364.db2.gz RZXJECSITKMJSG-UONOGXRCSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCC(=C)Br ZINC001134469730 1083294279 /nfs/dbraw/zinc/29/42/79/1083294279.db2.gz HQNOSUGPJXPSRK-OLZOCXBDSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1nccs1 ZINC001134454138 1083295434 /nfs/dbraw/zinc/29/54/34/1083295434.db2.gz RCFKQDJCAWJLPO-STQMWFEESA-N 0 3 309.479 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134458193 1083295792 /nfs/dbraw/zinc/29/57/92/1083295792.db2.gz YUCNFPRLEPRXFB-OLZOCXBDSA-N 0 3 323.506 3.427 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134458194 1083295867 /nfs/dbraw/zinc/29/58/67/1083295867.db2.gz YUCNFPRLEPRXFB-QWHCGFSZSA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001134470392 1083295991 /nfs/dbraw/zinc/29/59/91/1083295991.db2.gz PSAUVUXDBXIYLZ-STQMWFEESA-N 0 3 323.506 3.489 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC001134475668 1083298136 /nfs/dbraw/zinc/29/81/36/1083298136.db2.gz HHIIGBXLCSCSDD-ZIAGYGMSSA-N 0 3 319.449 3.281 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267746616 1083313226 /nfs/dbraw/zinc/31/32/26/1083313226.db2.gz NFBWZZAPWJSURZ-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN([C@H](C)c2cccc(OC)c2)C1 ZINC001267757356 1083323444 /nfs/dbraw/zinc/32/34/44/1083323444.db2.gz BUSSEEZKAVQISZ-NVXWUHKLSA-N 0 3 316.445 3.255 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)CC)NCc1ccc(C#N)c(F)c1 ZINC001267817090 1083372783 /nfs/dbraw/zinc/37/27/83/1083372783.db2.gz JGODIEFDWYTPPU-HNNXBMFYSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](CC)NCc2cc(C)ns2)CC1 ZINC001267819008 1083379551 /nfs/dbraw/zinc/37/95/51/1083379551.db2.gz RGIISAHQQGWEIQ-HNNXBMFYSA-N 0 3 321.490 3.182 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)C)NCC#Cc1cccc(Cl)c1 ZINC001267828446 1083400100 /nfs/dbraw/zinc/40/01/00/1083400100.db2.gz XUUFNVMQKMNCID-MRXNPFEDSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCCC23CC3)CCCC1 ZINC001267839560 1083425123 /nfs/dbraw/zinc/42/51/23/1083425123.db2.gz VMWSYPUYHYDYDY-CQSZACIVSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001267856153 1083456848 /nfs/dbraw/zinc/45/68/48/1083456848.db2.gz KUBKAIYTRRWQKV-AWEZNQCLSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2ccccn2)CCCC[C@H]1C ZINC001267867494 1083486556 /nfs/dbraw/zinc/48/65/56/1083486556.db2.gz GMHQLODANPSCME-APWZRJJASA-N 0 3 315.461 3.203 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ncoc2C)C1 ZINC001267909812 1083550577 /nfs/dbraw/zinc/55/05/77/1083550577.db2.gz FBUPGNAWRLKHOQ-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001267925847 1083580255 /nfs/dbraw/zinc/58/02/55/1083580255.db2.gz RQVSYPKDJRXGNW-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001267936756 1083603567 /nfs/dbraw/zinc/60/35/67/1083603567.db2.gz MUMVXOWMGUPVLO-YHYXMXQVSA-N 0 3 306.837 3.357 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001125938026 1083652783 /nfs/dbraw/zinc/65/27/83/1083652783.db2.gz HXZCVFFARMDIOI-UHFFFAOYSA-N 0 3 324.415 3.457 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001182220747 1083654183 /nfs/dbraw/zinc/65/41/83/1083654183.db2.gz PVHIMLAAPHOKHG-UKRRQHHQSA-N 0 3 320.383 3.020 20 30 DGEDHN CCCC[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182276991 1083664071 /nfs/dbraw/zinc/66/40/71/1083664071.db2.gz CMYAKOWUOOKJEP-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211657977 1083676708 /nfs/dbraw/zinc/67/67/08/1083676708.db2.gz WSIYRIZLXOUBLU-YSIASYRMSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151241613 1083737972 /nfs/dbraw/zinc/73/79/72/1083737972.db2.gz ALYCXXNDGNEIHD-REZTVBANSA-N 0 3 320.477 3.072 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)SC)C2 ZINC001110316401 1083741904 /nfs/dbraw/zinc/74/19/04/1083741904.db2.gz IQJRKNXCERIKNR-FPCVCCKLSA-N 0 3 310.507 3.206 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)s1)c1ccccc1 ZINC001481361895 1083821317 /nfs/dbraw/zinc/82/13/17/1083821317.db2.gz JQNLNQSFAHLSPF-INIZCTEOSA-N 0 3 312.438 3.141 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cccc(F)c1)c1ccccc1 ZINC001481362801 1083822933 /nfs/dbraw/zinc/82/29/33/1083822933.db2.gz VMDBIUHDYASFBR-GOSISDBHSA-N 0 3 312.388 3.463 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cscc1C)c1ccccc1 ZINC001481363258 1083823879 /nfs/dbraw/zinc/82/38/79/1083823879.db2.gz KKTQASNSQDTJOZ-QGZVFWFLSA-N 0 3 312.438 3.141 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CCC1(F)F)c1ccccc1 ZINC001481365916 1083826620 /nfs/dbraw/zinc/82/66/20/1083826620.db2.gz TZTPUTYYNCIQPV-HUUCEWRRSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1 ZINC001481368142 1083831257 /nfs/dbraw/zinc/83/12/57/1083831257.db2.gz GDPMUAUSZQJJQS-ZACQAIPSSA-N 0 3 300.446 3.302 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1CCC)c1ccccc1 ZINC001481371454 1083832193 /nfs/dbraw/zinc/83/21/93/1083832193.db2.gz WDIIAGBOGPYIJM-KURKYZTESA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(CN1CCCC1)C(=O)Nc1nc2ccc(C)cc2s1 ZINC001183028000 1083858397 /nfs/dbraw/zinc/85/83/97/1083858397.db2.gz ZPLNJQZTNCWHDI-UHFFFAOYSA-N 0 3 301.415 3.195 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CCC2)C1 ZINC001087423719 1083916044 /nfs/dbraw/zinc/91/60/44/1083916044.db2.gz PQRORWDRABJXRJ-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCCC(C)C)CC1 ZINC001151346445 1083990863 /nfs/dbraw/zinc/99/08/63/1083990863.db2.gz WHQZUGWJFVJHLW-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C)C2 ZINC001110340407 1084036467 /nfs/dbraw/zinc/03/64/67/1084036467.db2.gz LHYYYZYQFZUJNO-OAGGEKHMSA-N 0 3 319.449 3.289 20 30 DGEDHN CCC(=CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1)CC ZINC001268062015 1084075647 /nfs/dbraw/zinc/07/56/47/1084075647.db2.gz UBKISNABXWAHCH-QGZVFWFLSA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001481534007 1084095472 /nfs/dbraw/zinc/09/54/72/1084095472.db2.gz ZOORJEFUPJKPAI-HNNXBMFYSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccccc1Cl ZINC001268078829 1084114670 /nfs/dbraw/zinc/11/46/70/1084114670.db2.gz KENNSIVZZNZLGX-CYBMUJFWSA-N 0 3 308.853 3.489 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C(CC)CC)no1 ZINC001167830678 1084132253 /nfs/dbraw/zinc/13/22/53/1084132253.db2.gz AIABXEQMRSMSAL-UHFFFAOYSA-N 0 3 313.829 3.040 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCCN(CC[C@H](C)F)C2)CCCCC1 ZINC001268153079 1084244067 /nfs/dbraw/zinc/24/40/67/1084244067.db2.gz HPDSTGUAUCYJTC-DLBZAZTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC12CCC2 ZINC001268160627 1084256465 /nfs/dbraw/zinc/25/64/65/1084256465.db2.gz KNKSSBWSHMOINM-CABCVRRESA-N 0 3 310.869 3.290 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@H](C)NCc2ncc(C)s2)C1 ZINC001268171188 1084280668 /nfs/dbraw/zinc/28/06/68/1084280668.db2.gz VDZQIHDYXAICQF-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001268194636 1084304858 /nfs/dbraw/zinc/30/48/58/1084304858.db2.gz UCUPEQLGKKHJDE-HNNXBMFYSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CNCc2nccs2)[C@@H](C)C1 ZINC001185060939 1084324735 /nfs/dbraw/zinc/32/47/35/1084324735.db2.gz JUYUYEXZSHPVKO-LSDHHAIUSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001185048571 1084334548 /nfs/dbraw/zinc/33/45/48/1084334548.db2.gz FRWYMXOHNYZFMH-UKRRQHHQSA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C ZINC001268217950 1084340312 /nfs/dbraw/zinc/34/03/12/1084340312.db2.gz FXJBUSZMJDSLRD-CYBMUJFWSA-N 0 3 319.276 3.229 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(F)c2ccccc12 ZINC001268250662 1084409338 /nfs/dbraw/zinc/40/93/38/1084409338.db2.gz ORFXWWCKDCHFQY-UHFFFAOYSA-N 0 3 300.377 3.169 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC001268259074 1084426241 /nfs/dbraw/zinc/42/62/41/1084426241.db2.gz JNWBLHXABQMMOP-UHFFFAOYSA-N 0 3 310.388 3.378 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001481667010 1084459324 /nfs/dbraw/zinc/45/93/24/1084459324.db2.gz GFRWNNDELXATEX-BPUTZDHNSA-N 0 3 302.418 3.150 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001481692339 1084481273 /nfs/dbraw/zinc/48/12/73/1084481273.db2.gz JMTKJGUSMSASPP-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001481699379 1084487773 /nfs/dbraw/zinc/48/77/73/1084487773.db2.gz CWUXVRUGCCSMAJ-SJLPKXTDSA-N 0 3 316.420 3.360 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(C)c1Cl ZINC001268409850 1084576306 /nfs/dbraw/zinc/57/63/06/1084576306.db2.gz QCYFFUWKUVGLJN-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)/C=C/C(C)(C)C ZINC001268441247 1084600422 /nfs/dbraw/zinc/60/04/22/1084600422.db2.gz WDLKUQXKHPZYOT-ZHACJKMWSA-N 0 3 313.445 3.099 20 30 DGEDHN CC[C@@H](CNC(=O)/C=C/C(C)(C)C)NCc1ccc(C#N)s1 ZINC001481796430 1084643584 /nfs/dbraw/zinc/64/35/84/1084643584.db2.gz CTSSTOYMFQDKHJ-XEHSLEBBSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](CC)NCc2ncccc2C)CC1 ZINC001481848313 1084663250 /nfs/dbraw/zinc/66/32/50/1084663250.db2.gz MTXSZQABJSOTKM-KRWDZBQOSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C(C)(F)F)CCCC1 ZINC001481903286 1084696260 /nfs/dbraw/zinc/69/62/60/1084696260.db2.gz BXTDPNMMZWLOLF-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2C2CCC2)CCCC1 ZINC001481909087 1084699200 /nfs/dbraw/zinc/69/92/00/1084699200.db2.gz AAIMCEALBHQSPJ-LSDHHAIUSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001481937603 1084718240 /nfs/dbraw/zinc/71/82/40/1084718240.db2.gz PPAJPVJWKPBNPX-MRXNPFEDSA-N 0 3 310.869 3.194 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cccc(C)c2C)cc1 ZINC001482034928 1084787601 /nfs/dbraw/zinc/78/76/01/1084787601.db2.gz HRQCMVADYHMACO-UHFFFAOYSA-N 0 3 320.436 3.346 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001268592445 1084859319 /nfs/dbraw/zinc/85/93/19/1084859319.db2.gz ZFZSRBUTDUEOSU-JTHGQSKGSA-N 0 3 312.457 3.164 20 30 DGEDHN C[C@H](CNCc1sccc1Cl)NC(=O)C#CC(C)(C)C ZINC001268646213 1084914690 /nfs/dbraw/zinc/91/46/90/1084914690.db2.gz QYFYBVPZVYKWGH-LLVKDONJSA-N 0 3 312.866 3.045 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H](C)CNCc1cccnc1)c1ccccc1 ZINC001268674489 1084935413 /nfs/dbraw/zinc/93/54/13/1084935413.db2.gz MIQHXANDZIQHJO-VQIMIIECSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001268704238 1084959880 /nfs/dbraw/zinc/95/98/80/1084959880.db2.gz ZNAWGEKVGJAXLB-KXBFYZLASA-N 0 3 318.461 3.200 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268728708 1084995985 /nfs/dbraw/zinc/99/59/85/1084995985.db2.gz IUEWKHRWWVRGFK-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(OC)c1C ZINC001268741851 1085013987 /nfs/dbraw/zinc/01/39/87/1085013987.db2.gz ZXUFSWIAUSQMTJ-AWEZNQCLSA-N 0 3 318.461 3.152 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001268749357 1085026821 /nfs/dbraw/zinc/02/68/21/1085026821.db2.gz VWBHTFSIQKGVEI-AEFFLSMTSA-N 0 3 302.462 3.186 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(Cc2cccc3cccnc32)C1 ZINC001268833207 1085064878 /nfs/dbraw/zinc/06/48/78/1085064878.db2.gz HUCYUZUNMDASAS-UHFFFAOYSA-N 0 3 323.440 3.139 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(Cl)cc1C ZINC001268836129 1085065269 /nfs/dbraw/zinc/06/52/69/1085065269.db2.gz MDLRFFIJIHGNPV-UHFFFAOYSA-N 0 3 315.244 3.453 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1F ZINC001268965062 1085088185 /nfs/dbraw/zinc/08/81/85/1085088185.db2.gz ICPMMZWXIRFGAE-IHRRRGAJSA-N 0 3 320.383 3.218 20 30 DGEDHN C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001268966242 1085088809 /nfs/dbraw/zinc/08/88/09/1085088809.db2.gz JYVMQYRWKDVZLV-IHRRRGAJSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC ZINC001268988075 1085095037 /nfs/dbraw/zinc/09/50/37/1085095037.db2.gz LHNNTRANTXOQAK-IRXDYDNUSA-N 0 3 315.461 3.153 20 30 DGEDHN CCCCCC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001269043345 1085104194 /nfs/dbraw/zinc/10/41/94/1085104194.db2.gz IDMJPBJWLPUHRT-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001269046261 1085105098 /nfs/dbraw/zinc/10/50/98/1085105098.db2.gz BNDQLDVDFUYRGP-HNNXBMFYSA-N 0 3 319.449 3.349 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001269255242 1085238012 /nfs/dbraw/zinc/23/80/12/1085238012.db2.gz MZNHXDZYIRZULT-STQMWFEESA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001269279747 1085264299 /nfs/dbraw/zinc/26/42/99/1085264299.db2.gz CYNNWPIDHABECX-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN([C@@H](C)c2cccc(C)c2)C1 ZINC001269323696 1085299731 /nfs/dbraw/zinc/29/97/31/1085299731.db2.gz AVEYIEVHWKYKAL-FXAWDEMLSA-N 0 3 324.468 3.392 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001269324314 1085300826 /nfs/dbraw/zinc/30/08/26/1085300826.db2.gz JIQDAZMBSRAOIT-IBGZPJMESA-N 0 3 312.457 3.077 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCN1CC/C=C\CCC ZINC001269337663 1085315101 /nfs/dbraw/zinc/31/51/01/1085315101.db2.gz MQUJHLGNIHVCMU-HCZHMGAMSA-N 0 3 324.468 3.147 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001269356057 1085332653 /nfs/dbraw/zinc/33/26/53/1085332653.db2.gz MEJZGJQUGSRPLO-GJZGRUSLSA-N 0 3 304.409 3.293 20 30 DGEDHN CC(C)C#CC(=O)NCC1(N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC001269411266 1085371534 /nfs/dbraw/zinc/37/15/34/1085371534.db2.gz AALQEHRZRXERGL-CQSZACIVSA-N 0 3 318.848 3.299 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1cc(C)ns1 ZINC001269467314 1085402401 /nfs/dbraw/zinc/40/24/01/1085402401.db2.gz UNZYWNZJTCHZEM-BBRMVZONSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccoc2Cl)CCCC1 ZINC001269542489 1085454884 /nfs/dbraw/zinc/45/48/84/1085454884.db2.gz UZMSAZRTWWQYMC-UHFFFAOYSA-N 0 3 317.216 3.318 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2c(C)noc2C)CCCC1 ZINC001269549217 1085459085 /nfs/dbraw/zinc/45/90/85/1085459085.db2.gz HTVHJWNXDHGABE-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001269572445 1085474788 /nfs/dbraw/zinc/47/47/88/1085474788.db2.gz UDEIIBFYQCWQCB-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)C1CCCC1)C1CC1 ZINC001269596411 1085483645 /nfs/dbraw/zinc/48/36/45/1085483645.db2.gz OSJRSWUNTRUTRD-NRFANRHFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCCC1(C)C)C1CC1 ZINC001269629119 1085503170 /nfs/dbraw/zinc/50/31/70/1085503170.db2.gz BIZBUINKRBVOPA-WMLDXEAASA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCCC1(C)C)C1CC1 ZINC001269629120 1085503333 /nfs/dbraw/zinc/50/33/33/1085503333.db2.gz BIZBUINKRBVOPA-YOEHRIQHSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCCCCC(=O)N(C)C1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001269831120 1085578300 /nfs/dbraw/zinc/57/83/00/1085578300.db2.gz DCUNRAGJANZBDI-KURKYZTESA-N 0 3 316.489 3.149 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cc(C)no2)C[C@H]1C ZINC001269936183 1085621546 /nfs/dbraw/zinc/62/15/46/1085621546.db2.gz DTUAKCQMEGHEEI-HUUCEWRRSA-N 0 3 319.449 3.054 20 30 DGEDHN CC/C(C)=C/C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001270042381 1085668553 /nfs/dbraw/zinc/66/85/53/1085668553.db2.gz JFYSJXJHOVPUAS-KADHNRKRSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC001270058887 1085673982 /nfs/dbraw/zinc/67/39/82/1085673982.db2.gz OIGVOTADJBIMOT-KRWDZBQOSA-N 0 3 322.399 3.402 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CC3CCC2CC3)cc1 ZINC001270088837 1085685483 /nfs/dbraw/zinc/68/54/83/1085685483.db2.gz UCUAJFOHCSPDDA-RRWXTXHCSA-N 0 3 324.468 3.242 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H](C)C(C)(C)C ZINC001482299734 1085879327 /nfs/dbraw/zinc/87/93/27/1085879327.db2.gz SWFUXMSFWKNVQJ-DLBZAZTESA-N 0 3 314.473 3.157 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2nccs2)CCCC1 ZINC001270611411 1085881931 /nfs/dbraw/zinc/88/19/31/1085881931.db2.gz KVCPRVHFAHRXNA-CQSZACIVSA-N 0 3 321.490 3.122 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001482327999 1086010562 /nfs/dbraw/zinc/01/05/62/1086010562.db2.gz QWDBRRNSTAYYRF-SJCJKPOMSA-N 0 3 323.506 3.299 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001105389306 1086129031 /nfs/dbraw/zinc/12/90/31/1086129031.db2.gz NCGQSTRDPMIPBF-FAKSIROFSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001482426549 1086156516 /nfs/dbraw/zinc/15/65/16/1086156516.db2.gz HBHYAYNTSPJWPL-BQFYNABESA-N 0 3 319.276 3.344 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001270998652 1086238920 /nfs/dbraw/zinc/23/89/20/1086238920.db2.gz GSUNARNWORVWHP-CRAIPNDOSA-N 0 3 304.434 3.096 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC001271007119 1086247087 /nfs/dbraw/zinc/24/70/87/1086247087.db2.gz JACAKKWJKXAMHJ-QGZVFWFLSA-N 0 3 306.837 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1CC ZINC001087601919 1086324279 /nfs/dbraw/zinc/32/42/79/1086324279.db2.gz QWYURIICEKRVJW-JKSUJKDBSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1CC ZINC001087706967 1086370421 /nfs/dbraw/zinc/37/04/21/1086370421.db2.gz UYGLBPSZCNKXEV-ZWKOTPCHSA-N 0 3 300.446 3.408 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@H]1CC ZINC001087737637 1086384663 /nfs/dbraw/zinc/38/46/63/1086384663.db2.gz HYGPDZXEWPUXEV-LSDHHAIUSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1CC ZINC001087801923 1086414284 /nfs/dbraw/zinc/41/42/84/1086414284.db2.gz NLAKIDTWQNQYCC-BPQIPLTHSA-N 0 3 300.446 3.254 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001271153988 1086424404 /nfs/dbraw/zinc/42/44/04/1086424404.db2.gz BBAUVEKHSIUDCK-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@H]1CC ZINC001087818114 1086425569 /nfs/dbraw/zinc/42/55/69/1086425569.db2.gz BAKAJTLXXJPASP-DZGCQCFKSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1CC ZINC001087821042 1086427840 /nfs/dbraw/zinc/42/78/40/1086427840.db2.gz MLDFNFAHXMMUSD-DLBZAZTESA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2C)[C@H]1CC ZINC001087849533 1086447699 /nfs/dbraw/zinc/44/76/99/1086447699.db2.gz FRXIVFIYWKIIRO-ZWKOTPCHSA-N 0 3 314.473 3.428 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)[C@H]1CC ZINC001087850055 1086448111 /nfs/dbraw/zinc/44/81/11/1086448111.db2.gz KFTJVLGFGBASBX-DLBZAZTESA-N 0 3 315.392 3.076 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(CCC)cc3)C[C@@H]2C1 ZINC001088085665 1086590095 /nfs/dbraw/zinc/59/00/95/1086590095.db2.gz ZSZUZEXUKGYZQS-UXHICEINSA-N 0 3 324.468 3.056 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2csc(C)n2)[C@@H](C)C1 ZINC001271393288 1086594916 /nfs/dbraw/zinc/59/49/16/1086594916.db2.gz GAHRRXSQVZHIAQ-BBRMVZONSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](CC)SC)C1 ZINC001088297111 1086774233 /nfs/dbraw/zinc/77/42/33/1086774233.db2.gz HTHYBAPJKJKBLL-KBPBESRZSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](NCc2ccccn2)C(C)C)CC1 ZINC001271892824 1086812721 /nfs/dbraw/zinc/81/27/21/1086812721.db2.gz LTXYYNNJLHURSO-SFHVURJKSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(F)CCCCC1)C(C)C ZINC001271915239 1086830470 /nfs/dbraw/zinc/83/04/70/1086830470.db2.gz IIDHYHRQAUUAKS-CYBMUJFWSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001088350026 1086847292 /nfs/dbraw/zinc/84/72/92/1086847292.db2.gz LAGFPYDVWSNGFD-HLLBOEOZSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC2CCC1CC2)C(C)C ZINC001271941279 1086850467 /nfs/dbraw/zinc/85/04/67/1086850467.db2.gz NVJLARBAMYUASM-SSHXOBKSSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc2[nH]ccc21)C(C)C ZINC001482552651 1086854751 /nfs/dbraw/zinc/85/47/51/1086854751.db2.gz JCAAPHOVSHKZMV-MRXNPFEDSA-N 0 3 319.836 3.264 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cccnc2C)C1 ZINC001088371484 1086865697 /nfs/dbraw/zinc/86/56/97/1086865697.db2.gz IYJRCCYLZQGZNL-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](F)C(C)C)C1 ZINC001088365913 1086867510 /nfs/dbraw/zinc/86/75/10/1086867510.db2.gz WUJAXGBFXJQLHR-UONOGXRCSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(C)CC=CC2)C1 ZINC001088374509 1086869662 /nfs/dbraw/zinc/86/96/62/1086869662.db2.gz JAKVASKJPQNAJF-HNNXBMFYSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccnc(C)c2)C1 ZINC001088402863 1086912377 /nfs/dbraw/zinc/91/23/77/1086912377.db2.gz CXYWJOGQJLMXJF-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccccc1Cl)C(C)C ZINC001482565641 1086926943 /nfs/dbraw/zinc/92/69/43/1086926943.db2.gz JQSSYLZWXABYLV-CQSZACIVSA-N 0 3 315.244 3.437 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001482630905 1087093983 /nfs/dbraw/zinc/09/39/83/1087093983.db2.gz DPVYPIBTEDZLDQ-UHFFFAOYSA-N 0 3 308.853 3.194 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC001482648033 1087101223 /nfs/dbraw/zinc/10/12/23/1087101223.db2.gz XSGSZUOZGNYXDP-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000093691118 1087191710 /nfs/dbraw/zinc/19/17/10/1087191710.db2.gz DTBQSFSODORKGQ-SFHVURJKSA-N 0 3 310.397 3.300 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001272106684 1087205064 /nfs/dbraw/zinc/20/50/64/1087205064.db2.gz XTRKTXHYGMDECQ-LJQANCHMSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001483011099 1087234583 /nfs/dbraw/zinc/23/45/83/1087234583.db2.gz FEGWAKPAOXFJGD-WAYWQWQTSA-N 0 3 304.409 3.190 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[C@H]1C ZINC001088658853 1087248815 /nfs/dbraw/zinc/24/88/15/1087248815.db2.gz ZAYQSVREYGQKGO-AFYVEPGGSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001483043151 1087272162 /nfs/dbraw/zinc/27/21/62/1087272162.db2.gz SROKNHFAOUJFDI-WAYWQWQTSA-N 0 3 322.399 3.329 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CN[C@H](C)c1cccc(F)c1 ZINC001483048506 1087287826 /nfs/dbraw/zinc/28/78/26/1087287826.db2.gz TXXQUCPUUFRFMZ-XITLMJRVSA-N 0 3 316.420 3.342 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CN[C@@H](C)c1cccc(F)c1 ZINC001483048505 1087288234 /nfs/dbraw/zinc/28/82/34/1087288234.db2.gz TXXQUCPUUFRFMZ-WAVCKPEOSA-N 0 3 316.420 3.342 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3cccnc32)[C@H]1C ZINC001088712693 1087313215 /nfs/dbraw/zinc/31/32/15/1087313215.db2.gz AAUXQDHFEBMOQT-PBHICJAKSA-N 0 3 309.413 3.004 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001483076989 1087333076 /nfs/dbraw/zinc/33/30/76/1087333076.db2.gz OYXHONDDGZIPRV-XFCCUVRLSA-N 0 3 313.445 3.002 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)[C@H]1C ZINC001088773838 1087348132 /nfs/dbraw/zinc/34/81/32/1087348132.db2.gz HHERAJUIKYSYQV-WBVHZDCISA-N 0 3 318.505 3.441 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2csc3ccccc23)[C@H]1C ZINC001088779723 1087351035 /nfs/dbraw/zinc/35/10/35/1087351035.db2.gz VFDHVSZIYCOOER-CJNGLKHVSA-N 0 3 312.438 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@H]1C ZINC001088833853 1087409950 /nfs/dbraw/zinc/40/99/50/1087409950.db2.gz MYAHZMYQTCHRNM-AEFFLSMTSA-N 0 3 300.446 3.001 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1C ZINC001088833767 1087409956 /nfs/dbraw/zinc/40/99/56/1087409956.db2.gz ITJOLICCAWETJQ-IOASZLSFSA-N 0 3 306.837 3.209 20 30 DGEDHN CCC[C@@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)C(C)C ZINC001483271518 1087454768 /nfs/dbraw/zinc/45/47/68/1087454768.db2.gz PYFBTIGSWGOWGZ-PKOBYXMFSA-N 0 3 314.473 3.205 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483334341 1087473876 /nfs/dbraw/zinc/47/38/76/1087473876.db2.gz FJSWKEPPSKUWJY-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C1(C)CCCC1 ZINC001483369101 1087482142 /nfs/dbraw/zinc/48/21/42/1087482142.db2.gz NCGIJJMCWNHXCH-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001483372907 1087483739 /nfs/dbraw/zinc/48/37/39/1087483739.db2.gz QKILXXFWEBZQFK-ZDUSSCGKSA-N 0 3 308.853 3.489 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483400439 1087492504 /nfs/dbraw/zinc/49/25/04/1087492504.db2.gz IOZBAFOJWRCJJI-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)CC ZINC001099038676 1087598579 /nfs/dbraw/zinc/59/85/79/1087598579.db2.gz MEONLRYKROLAQC-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)[C@H]1C ZINC001088910359 1087602620 /nfs/dbraw/zinc/60/26/20/1087602620.db2.gz HSHFIWZQYHITQO-ZFVVBOAOSA-N 0 3 318.848 3.209 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001483649167 1087603431 /nfs/dbraw/zinc/60/34/31/1087603431.db2.gz JMSBFNJVZXTNQV-PKOBYXMFSA-N 0 3 324.468 3.304 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1C ZINC001088941193 1087607721 /nfs/dbraw/zinc/60/77/21/1087607721.db2.gz LKFKDVJFEBATEL-TVFCKZIOSA-N 0 3 304.478 3.051 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H]1C ZINC001088962285 1087611056 /nfs/dbraw/zinc/61/10/56/1087611056.db2.gz WMYMZOAHBCIWTD-KDOFPFPSSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)s2)[C@H]1C ZINC001088979583 1087614145 /nfs/dbraw/zinc/61/41/45/1087614145.db2.gz VQIMYIIHJXXSTB-OCCSQVGLSA-N 0 3 304.459 3.394 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)[C@H]1C ZINC001088981107 1087614765 /nfs/dbraw/zinc/61/47/65/1087614765.db2.gz CKRKEKKIURCXEO-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@H]1C ZINC001089007655 1087620454 /nfs/dbraw/zinc/62/04/54/1087620454.db2.gz PXZSWFLLIJOROB-NEPJUHHUSA-N 0 3 312.866 3.479 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001483670257 1087622122 /nfs/dbraw/zinc/62/21/22/1087622122.db2.gz MHHUEYFYGJMARA-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc3ccccc3c2)[C@H]1C ZINC001089028621 1087624000 /nfs/dbraw/zinc/62/40/00/1087624000.db2.gz GGUJXPCPTHFISD-BEFAXECRSA-N 0 3 308.425 3.147 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)[C@H]1C ZINC001089032382 1087626085 /nfs/dbraw/zinc/62/60/85/1087626085.db2.gz KVSFIVJFQGOTKD-QAPCUYQASA-N 0 3 323.440 3.001 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@H]1C ZINC001089051231 1087628287 /nfs/dbraw/zinc/62/82/87/1087628287.db2.gz GXJLKJMYIXGCTC-VBQJREDUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2CC(c3cccc(F)c3)C2)[C@H]1C ZINC001089078093 1087632220 /nfs/dbraw/zinc/63/22/20/1087632220.db2.gz NEGPWTQNKAMPOJ-VTCYXGNWSA-N 0 3 316.420 3.084 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3=CCCC3)cc2)[C@H]1C ZINC001089094486 1087636900 /nfs/dbraw/zinc/63/69/00/1087636900.db2.gz XJDCWBJYYYVDRV-UZLBHIALSA-N 0 3 322.452 3.470 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ccsc1 ZINC001099107341 1087646121 /nfs/dbraw/zinc/64/61/21/1087646121.db2.gz XWIVIXOEERLLHG-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC001483686445 1087653205 /nfs/dbraw/zinc/65/32/05/1087653205.db2.gz ORAIGOORMPOOKY-GJZGRUSLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](CC)c1ccccc1 ZINC001483694622 1087673018 /nfs/dbraw/zinc/67/30/18/1087673018.db2.gz MXMGDWAYNACQFG-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483720876 1087699690 /nfs/dbraw/zinc/69/96/90/1087699690.db2.gz HQERACKCWUNQIH-INIZCTEOSA-N 0 3 320.383 3.157 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001099160022 1087713150 /nfs/dbraw/zinc/71/31/50/1087713150.db2.gz ZABKZFLVMFFIPU-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001158246627 1087745123 /nfs/dbraw/zinc/74/51/23/1087745123.db2.gz WQYHYBSJTVOLFS-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1coc(C(F)F)c1 ZINC001158397712 1087806518 /nfs/dbraw/zinc/80/65/18/1087806518.db2.gz LWNNPVDUNDYLOY-CYBMUJFWSA-N 0 3 312.360 3.330 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cc(C)cc(C)c1 ZINC001158433883 1087832225 /nfs/dbraw/zinc/83/22/25/1087832225.db2.gz BHHACXWDCLMBRF-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152188477 1087916748 /nfs/dbraw/zinc/91/67/48/1087916748.db2.gz JWURNFWIFAGAGW-UBYXTUIOSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC(CC)CC ZINC001158666509 1087964980 /nfs/dbraw/zinc/96/49/80/1087964980.db2.gz CSFOWWGNMCFCKX-GOSISDBHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2cnccc2c1 ZINC001158709091 1087986523 /nfs/dbraw/zinc/98/65/23/1087986523.db2.gz HVHZLOLTESROBI-LJQANCHMSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1cccs1 ZINC001158841790 1088067003 /nfs/dbraw/zinc/06/70/03/1088067003.db2.gz QJQCLLLMPRUIBY-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCNCc1cccc(F)c1F ZINC001158887025 1088084031 /nfs/dbraw/zinc/08/40/31/1088084031.db2.gz OCAPBLWDUIEKOE-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C=C)c1ccccc1 ZINC001158913987 1088096407 /nfs/dbraw/zinc/09/64/07/1088096407.db2.gz IPUJKQANNUDAFJ-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203452426 1088309541 /nfs/dbraw/zinc/30/95/41/1088309541.db2.gz ONZOEBPSCKVAGW-ZIAGYGMSSA-N 0 3 310.869 3.358 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN(Cc3ccc(C)cc3C)CC2)C1=O ZINC001272637537 1088355472 /nfs/dbraw/zinc/35/54/72/1088355472.db2.gz ALNGHIURIWHMQC-NRFANRHFSA-N 0 3 324.468 3.141 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2sc(C)nc2C)CCCC1 ZINC001153814142 1088369770 /nfs/dbraw/zinc/36/97/70/1088369770.db2.gz SBRNHBITJRISRT-UHFFFAOYSA-N 0 3 321.490 3.102 20 30 DGEDHN C=CCC[C@H](C(=O)NCCNC/C=C/Cl)c1ccccc1 ZINC001153825242 1088374373 /nfs/dbraw/zinc/37/43/73/1088374373.db2.gz ZUPZMPYLTBVLJH-BPLPYTOXSA-N 0 3 306.837 3.195 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(Cl)ncc1C#N ZINC001159590726 1088405936 /nfs/dbraw/zinc/40/59/36/1088405936.db2.gz WZGOLDILCCOUJA-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(Cl)cc(C#N)n1 ZINC001159592632 1088408672 /nfs/dbraw/zinc/40/86/72/1088408672.db2.gz ZWPFNWQAUZFLRM-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(CC)o1)CC2 ZINC001204389137 1088546316 /nfs/dbraw/zinc/54/63/16/1088546316.db2.gz KIZDRDWRMHBJKN-UHFFFAOYSA-N 0 3 318.417 3.062 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccc(C)cc2)CC1 ZINC001483759885 1088548496 /nfs/dbraw/zinc/54/84/96/1088548496.db2.gz DQUOPROCEHEEJW-MRXNPFEDSA-N 0 3 300.446 3.336 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cs2)CC(C)(C)C1 ZINC001089383160 1088555302 /nfs/dbraw/zinc/55/53/02/1088555302.db2.gz WXNCFDJWJSBOHM-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)CC(C)(C)C1 ZINC001089408602 1088581580 /nfs/dbraw/zinc/58/15/80/1088581580.db2.gz JJCGRTIJZFHZSE-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)sc2C)CC(C)(C)C1 ZINC001089434510 1088600777 /nfs/dbraw/zinc/60/07/77/1088600777.db2.gz TVBQGSKJRVACKU-HNNXBMFYSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC(C)(C)C1 ZINC001089445782 1088615201 /nfs/dbraw/zinc/61/52/01/1088615201.db2.gz MIHXDWKLUJRESB-FJIDUMEYSA-N 0 3 316.489 3.053 20 30 DGEDHN CC(C)C#CC(=O)NCCC1=CCN(Cc2ccsc2)CC1 ZINC001160062634 1088628518 /nfs/dbraw/zinc/62/85/18/1088628518.db2.gz RLBDXMKXVVQRTF-UHFFFAOYSA-N 0 3 316.470 3.046 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C\c1cccc(F)c1 ZINC001160161938 1088675989 /nfs/dbraw/zinc/67/59/89/1088675989.db2.gz XHOKFPYCLPVKEO-UTCJRWHESA-N 0 3 310.800 3.077 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001160168930 1088684029 /nfs/dbraw/zinc/68/40/29/1088684029.db2.gz DEUVJKUEJNITRM-ZWKOTPCHSA-N 0 3 316.489 3.220 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1(C)CCC1 ZINC001154632166 1088685036 /nfs/dbraw/zinc/68/50/36/1088685036.db2.gz VRFKKZLMZYGSRL-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)CC(C)(C)C1 ZINC001089509952 1088707725 /nfs/dbraw/zinc/70/77/25/1088707725.db2.gz KXYHBQBLEKRDOQ-ZDUSSCGKSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)CC(C)(C)C1 ZINC001089536442 1088718035 /nfs/dbraw/zinc/71/80/35/1088718035.db2.gz CHIVGVIOYNGIBP-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)C2CCCC2)CC(C)(C)C1 ZINC001089536440 1088718237 /nfs/dbraw/zinc/71/82/37/1088718237.db2.gz CHIVGVIOYNGIBP-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001154742611 1088736489 /nfs/dbraw/zinc/73/64/89/1088736489.db2.gz JMGCQOHMARWBOG-HUUCEWRRSA-N 0 3 323.506 3.115 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)CC(C)(C)C1 ZINC001089561732 1088746305 /nfs/dbraw/zinc/74/63/05/1088746305.db2.gz SNWGLIOCHVSTDT-YLJYHZDGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001154756742 1088746282 /nfs/dbraw/zinc/74/62/82/1088746282.db2.gz DPZAHLHGLNGUKL-CABCVRRESA-N 0 3 323.506 3.115 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089565641 1088754749 /nfs/dbraw/zinc/75/47/49/1088754749.db2.gz VKAIIPGIBCVTTB-OFLPRAFFSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](CC2CCCCC2)C(C)C)CC1 ZINC001483773349 1088770217 /nfs/dbraw/zinc/77/02/17/1088770217.db2.gz IZMPHKDZSIUNIV-GOSISDBHSA-N 0 3 318.505 3.491 20 30 DGEDHN CCCc1cc(C#N)c(Nc2ccc(CN)nc2)nc1Cl ZINC001160401865 1088787797 /nfs/dbraw/zinc/78/77/97/1088787797.db2.gz DQSQUDYROXBAJH-UHFFFAOYSA-N 0 3 301.781 3.156 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001089600785 1088800265 /nfs/dbraw/zinc/80/02/65/1088800265.db2.gz HHMHAERIJIOTNJ-KRWDZBQOSA-N 0 3 300.446 3.401 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001089610979 1088811558 /nfs/dbraw/zinc/81/15/58/1088811558.db2.gz YNKKJDUBWBMOMX-INIZCTEOSA-N 0 3 317.477 3.130 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)c(F)cc2F)CC1 ZINC001160485960 1088830715 /nfs/dbraw/zinc/83/07/15/1088830715.db2.gz NGGWNZFQHIKQOR-UHFFFAOYSA-N 0 3 320.383 3.211 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001160485685 1088830944 /nfs/dbraw/zinc/83/09/44/1088830944.db2.gz KJFWWRXFXKDVSO-AZUAARDMSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001089636609 1088861288 /nfs/dbraw/zinc/86/12/88/1088861288.db2.gz DSVUJQCAJQMMHX-HNNXBMFYSA-N 0 3 317.477 3.374 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001154973514 1088864331 /nfs/dbraw/zinc/86/43/31/1088864331.db2.gz UPUIGZRBIIAPQU-CQSZACIVSA-N 0 3 320.864 3.077 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC(C)C)C1 ZINC001483802936 1088903704 /nfs/dbraw/zinc/90/37/04/1088903704.db2.gz XLHWLNKZPUQYCT-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001089649710 1088916913 /nfs/dbraw/zinc/91/69/13/1088916913.db2.gz NNANRDXGPIECOT-OAHLLOKOSA-N 0 3 315.461 3.299 20 30 DGEDHN C=C[C@@H]1C[C@]1(N)C(=O)N(C)Cc1ccccc1Oc1ccccc1 ZINC001160746314 1088938501 /nfs/dbraw/zinc/93/85/01/1088938501.db2.gz FVYCIWQTQHMAJI-OXQOHEQNSA-N 0 3 322.408 3.341 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1nccc2ccc(C#N)cc21 ZINC001155253447 1089027751 /nfs/dbraw/zinc/02/77/51/1089027751.db2.gz ABPNJUCTJJOLEV-GFCCVEGCSA-N 0 3 313.364 3.465 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)nc2cccc(F)c21 ZINC001160952782 1089037682 /nfs/dbraw/zinc/03/76/82/1089037682.db2.gz AOIUJMAWNGYQGA-NSHDSACASA-N 0 3 320.799 3.485 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cnc2cc(Cl)ccc2n1 ZINC001160952997 1089038744 /nfs/dbraw/zinc/03/87/44/1089038744.db2.gz LXAUGRDSRUSJIW-ZDUSSCGKSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2occc2C(C)C)CC1 ZINC001160992724 1089062777 /nfs/dbraw/zinc/06/27/77/1089062777.db2.gz ZLGAVGDTNUYADJ-UHFFFAOYSA-N 0 3 302.418 3.341 20 30 DGEDHN C#CCN(C(=O)CCCC1CCCC1)C1CCN(CC=C)CC1 ZINC001483992851 1089068902 /nfs/dbraw/zinc/06/89/02/1089068902.db2.gz PJTIYNRBZSPUBH-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN(C(=O)CC1CC(C)(C)C1)C1CCN(CC(=C)C)CC1 ZINC001483986520 1089070943 /nfs/dbraw/zinc/07/09/43/1089070943.db2.gz IONPAAIMCUVLQX-UHFFFAOYSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001161007530 1089072652 /nfs/dbraw/zinc/07/26/52/1089072652.db2.gz BAHTWVVJSVIHDU-HNNXBMFYSA-N 0 3 312.404 3.136 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(CCC)CC1)C2 ZINC001484021510 1089106522 /nfs/dbraw/zinc/10/65/22/1089106522.db2.gz DENPIIHFXVPOMQ-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(F)ccc(C)c2F)CC1 ZINC001161101804 1089114912 /nfs/dbraw/zinc/11/49/12/1089114912.db2.gz LHBRXAGEIGNPLT-UHFFFAOYSA-N 0 3 320.383 3.211 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2(CCCC)CC2)CC1 ZINC001161121517 1089127226 /nfs/dbraw/zinc/12/72/26/1089127226.db2.gz LMZADJGXIGGGLR-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c2ccccc12 ZINC001155497120 1089136528 /nfs/dbraw/zinc/13/65/28/1089136528.db2.gz UGFKNLJSVJBZOC-MRXNPFEDSA-N 0 3 308.425 3.222 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001484052539 1089136551 /nfs/dbraw/zinc/13/65/51/1089136551.db2.gz NUADHFSHXQYJHH-GOSISDBHSA-N 0 3 322.399 3.323 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001161195543 1089149728 /nfs/dbraw/zinc/14/97/28/1089149728.db2.gz ZIVOQYPSCZOIPZ-HNNXBMFYSA-N 0 3 312.404 3.136 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001161219960 1089158795 /nfs/dbraw/zinc/15/87/95/1089158795.db2.gz SAKSAFJDLADDBA-UHFFFAOYSA-N 0 3 313.445 3.143 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001089685649 1089162303 /nfs/dbraw/zinc/16/23/03/1089162303.db2.gz FZGLZHXAGXIYBY-HNNXBMFYSA-N 0 3 304.434 3.385 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001484068907 1089164553 /nfs/dbraw/zinc/16/45/53/1089164553.db2.gz YKQBHOCVNPOTTB-PXNSSMCTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN(C(=O)C[C@@H](N)c1cccc(OC)c1)C1CCCCC1 ZINC001161248231 1089168720 /nfs/dbraw/zinc/16/87/20/1089168720.db2.gz VOOROPRGIKFMPU-GOSISDBHSA-N 0 3 316.445 3.432 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1Cl ZINC001089689320 1089173541 /nfs/dbraw/zinc/17/35/41/1089173541.db2.gz CXPKQTOFSFXPEU-CYBMUJFWSA-N 0 3 322.836 3.177 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2CCC(F)(F)CC2)CC1 ZINC001161320229 1089191603 /nfs/dbraw/zinc/19/16/03/1089191603.db2.gz HYZMKAOVHHWJQK-UHFFFAOYSA-N 0 3 312.404 3.136 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@](C)(CNCc2nccs2)C1 ZINC001484108098 1089196800 /nfs/dbraw/zinc/19/68/00/1089196800.db2.gz NCIDCBFDFZWBAZ-WMLDXEAASA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001155644989 1089197911 /nfs/dbraw/zinc/19/79/11/1089197911.db2.gz UTCKWUSGKVWASR-DLBZAZTESA-N 0 3 300.446 3.030 20 30 DGEDHN CCCCC[C@H](C)CC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001155653972 1089200911 /nfs/dbraw/zinc/20/09/11/1089200911.db2.gz JUADYZJOZICVMA-ZWKOTPCHSA-N 0 3 324.509 3.069 20 30 DGEDHN Cc1cnc(N[C@H]2CN3CCC2CC3)c(C#C[Si](C)(C)C)c1 ZINC001155667343 1089206027 /nfs/dbraw/zinc/20/60/27/1089206027.db2.gz GEPOWOWXYQDCMF-KRWDZBQOSA-N 0 3 313.521 3.125 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001155681126 1089212843 /nfs/dbraw/zinc/21/28/43/1089212843.db2.gz FISFFTJTWWWCDI-MJGOQNOKSA-N 0 3 314.473 3.276 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1csc(C)c1 ZINC001089710117 1089289171 /nfs/dbraw/zinc/28/91/71/1089289171.db2.gz BIHDPNCPUPZPBI-INIZCTEOSA-N 0 3 318.486 3.300 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CCCC1 ZINC001089748688 1089326373 /nfs/dbraw/zinc/32/63/73/1089326373.db2.gz AHRZAWWYMCSBJX-HZMVEIRTSA-N 0 3 322.880 3.098 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001484325590 1089336653 /nfs/dbraw/zinc/33/66/53/1089336653.db2.gz WMACJADAIOFTBJ-VEGGFIAOSA-N 0 3 316.489 3.173 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)Nc1ccc(CN(C)C)cc1F ZINC001161699829 1089356153 /nfs/dbraw/zinc/35/61/53/1089356153.db2.gz GOYQOMABAAJSLW-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN CCC[C@H](C)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001161719573 1089367740 /nfs/dbraw/zinc/36/77/40/1089367740.db2.gz RGHFIOWOKPBELF-RYUDHWBXSA-N 0 3 304.394 3.026 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001161733674 1089376243 /nfs/dbraw/zinc/37/62/43/1089376243.db2.gz IKCTXGFVINBBMS-GOSISDBHSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001161796450 1089407222 /nfs/dbraw/zinc/40/72/22/1089407222.db2.gz IRWURDUAXXGDKM-UHFFFAOYSA-N 0 3 318.383 3.289 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](CC)c1ccccc1 ZINC001484464955 1089435420 /nfs/dbraw/zinc/43/54/20/1089435420.db2.gz LRBRBEJMRSTBJD-DFQSSKMNSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCc2ccccc2F)CC1 ZINC001161853438 1089443553 /nfs/dbraw/zinc/44/35/53/1089443553.db2.gz OWSWQCUOSCWQID-UHFFFAOYSA-N 0 3 316.420 3.083 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@](C)(C=C)CC ZINC001484557952 1089493513 /nfs/dbraw/zinc/49/35/13/1089493513.db2.gz WWQHAJOUDBKOEH-HXUWFJFHSA-N 0 3 312.457 3.360 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C2CC2)s1 ZINC001156397537 1089505497 /nfs/dbraw/zinc/50/54/97/1089505497.db2.gz WGNVSXFCCWCSKL-CYBMUJFWSA-N 0 3 304.459 3.089 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C=C2CCC2)C1 ZINC001089796640 1089514189 /nfs/dbraw/zinc/51/41/89/1089514189.db2.gz UYZBFSHVACKVEW-QAETUUGQSA-N 0 3 320.864 3.018 20 30 DGEDHN N#Cc1nc(-n2cncc2CNCc2ccccc2)ccc1Cl ZINC001156482714 1089544415 /nfs/dbraw/zinc/54/44/15/1089544415.db2.gz UULQSXGIZTWXPC-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN CC#CCNC1(CNC(=O)CC(C2CCC2)C2CCC2)CCC1 ZINC001484653963 1089571372 /nfs/dbraw/zinc/57/13/72/1089571372.db2.gz XDZRULZBWUAUSN-UHFFFAOYSA-N 0 3 316.489 3.245 20 30 DGEDHN CC#CCNC1(CNC(=O)CCCC2CCCCC2)CCC1 ZINC001484661802 1089580324 /nfs/dbraw/zinc/58/03/24/1089580324.db2.gz GXWLNWAYSMSROR-UHFFFAOYSA-N 0 3 304.478 3.389 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CCc1cc(C)cc(C)c1 ZINC001484764805 1089654017 /nfs/dbraw/zinc/65/40/17/1089654017.db2.gz ORWYAEFWAVRWKX-UHFFFAOYSA-N 0 3 314.473 3.040 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C\c2ccc[nH]2)cc1 ZINC001272691500 1089712263 /nfs/dbraw/zinc/71/22/63/1089712263.db2.gz LYMYMPRJHAVUEI-YUQCYMQKSA-N 0 3 321.424 3.018 20 30 DGEDHN CCCCC[C@@H](CC)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001157041196 1089796270 /nfs/dbraw/zinc/79/62/70/1089796270.db2.gz IBDUSEDCXQQAEP-QZTJIDSGSA-N 0 3 324.509 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/nfs/dbraw/zinc/89/47/19/1089894719.db2.gz MXICPYDTFCTVCJ-MOPGFXCFSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCOCC(C)C ZINC001485065926 1089897449 /nfs/dbraw/zinc/89/74/49/1089897449.db2.gz QNBYZNXIHJBBLU-QGZVFWFLSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CN(C)CCOCCCC)C1 ZINC001485070141 1089907619 /nfs/dbraw/zinc/90/76/19/1089907619.db2.gz WHQOEFMTOJPXKO-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)/C=C(\C)C1CC1 ZINC001162721167 1089907887 /nfs/dbraw/zinc/90/78/87/1089907887.db2.gz MXUQBZNHNGGVFS-ISLYRVAYSA-N 0 3 324.468 3.027 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)CC=C(C)C)cc1 ZINC001485061325 1089916158 /nfs/dbraw/zinc/91/61/58/1089916158.db2.gz SORHVBZFPLNVBQ-IBGZPJMESA-N 0 3 310.441 3.171 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC=C)c1ccccc1 ZINC001157369531 1089929251 /nfs/dbraw/zinc/92/92/51/1089929251.db2.gz FIVUKYGDHCHWDK-IEBWSBKVSA-N 0 3 312.457 3.196 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C=C(CC)CC ZINC001162764313 1089939507 /nfs/dbraw/zinc/93/95/07/1089939507.db2.gz RFPWQFWODGBAQX-UHFFFAOYSA-N 0 3 312.457 3.027 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001485102783 1089946515 /nfs/dbraw/zinc/94/65/15/1089946515.db2.gz RTACETAEJKFKCH-HIFPTAJRSA-N 0 3 312.866 3.089 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(CF)cc2)C1 ZINC001485112118 1089953192 /nfs/dbraw/zinc/95/31/92/1089953192.db2.gz MIMSBPUPQGJXQA-UHFFFAOYSA-N 0 3 310.800 3.007 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H](C)CCCC ZINC001162797597 1089961601 /nfs/dbraw/zinc/96/16/01/1089961601.db2.gz DKVGLJZAGWMBFV-SFHVURJKSA-N 0 3 314.473 3.107 20 30 DGEDHN CC1(CC(=O)NCCCNCc2ccccc2C#N)CCCC1 ZINC001157462259 1089979087 /nfs/dbraw/zinc/97/90/87/1089979087.db2.gz VCXVOHLMHMEDHM-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485144839 1089982234 /nfs/dbraw/zinc/98/22/34/1089982234.db2.gz GLDCRGSRJZFVQZ-GHAJFHELSA-N 0 3 316.420 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CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107401452 1090433309 /nfs/dbraw/zinc/43/33/09/1090433309.db2.gz OOOBNKOYBQYLRR-QRJBTWOVSA-N 0 3 322.880 3.149 20 30 DGEDHN Cc1cnc(N(C2CCCC2)C2CCN(C)CC2)c(C=NO)c1 ZINC001165198691 1090477719 /nfs/dbraw/zinc/47/77/19/1090477719.db2.gz SHMFEXPHPYKPHB-UHFFFAOYSA-N 0 3 316.449 3.041 20 30 DGEDHN Cc1cc(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)ncc1C#N ZINC001165203456 1090480239 /nfs/dbraw/zinc/48/02/39/1090480239.db2.gz WOXORYVTPHKMRK-IRXDYDNUSA-N 0 3 320.440 3.361 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001165215134 1090481143 /nfs/dbraw/zinc/48/11/43/1090481143.db2.gz HNXIEMWEHMGLAD-UHFFFAOYSA-N 0 3 315.461 3.060 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107703781 1090489907 /nfs/dbraw/zinc/48/99/07/1090489907.db2.gz CZAJJSXEGHGKJG-QFBILLFUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2cccc(Cl)n2)CCC1 ZINC001165998052 1090568161 /nfs/dbraw/zinc/56/81/61/1090568161.db2.gz MDQSOFPSFZASAL-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001107971624 1090594887 /nfs/dbraw/zinc/59/48/87/1090594887.db2.gz UZCINGGAORPWSL-IBGZPJMESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001166604959 1090627555 /nfs/dbraw/zinc/62/75/55/1090627555.db2.gz IPFSKYKWFZYVOY-OAHLLOKOSA-N 0 3 310.869 3.361 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001166672576 1090639257 /nfs/dbraw/zinc/63/92/57/1090639257.db2.gz PKEOSZFIJIHNHW-CQSZACIVSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001128085181 1090645144 /nfs/dbraw/zinc/64/51/44/1090645144.db2.gz MPHFFBOOXDIPCN-UHFFFAOYSA-N 0 3 324.827 3.453 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001166754933 1090650972 /nfs/dbraw/zinc/65/09/72/1090650972.db2.gz BFQSIRDEVUVIER-MRXNPFEDSA-N 0 3 315.461 3.060 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2c[nH]c3cc(C)ccc23)C1=O ZINC001272853173 1090656701 /nfs/dbraw/zinc/65/67/01/1090656701.db2.gz PEUNCUBBDSEEFV-HXUWFJFHSA-N 0 3 323.440 3.229 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2cccc(C)c2)CC1 ZINC001166915867 1090676177 /nfs/dbraw/zinc/67/61/77/1090676177.db2.gz BEURDVWPGRCKQZ-UHFFFAOYSA-N 0 3 320.864 3.166 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H]1COc2cccc(C)c2C1 ZINC001203208281 1090705319 /nfs/dbraw/zinc/70/53/19/1090705319.db2.gz QFLVANPVTWXQFF-KRWDZBQOSA-N 0 3 307.393 3.100 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485868390 1090713363 /nfs/dbraw/zinc/71/33/63/1090713363.db2.gz KXIAIHOWTJIQJE-HOTGVXAUSA-N 0 3 318.436 3.050 20 30 DGEDHN CCc1ccccc1CN1CCC[C@@H](NC(=O)C#CC2CC2)[C@@H]1C ZINC001486173815 1090774746 /nfs/dbraw/zinc/77/47/46/1090774746.db2.gz NGHROQQVPXQQAA-OXJNMPFZSA-N 0 3 324.468 3.132 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccccc2C)[C@@H]1C ZINC001486182369 1090779450 /nfs/dbraw/zinc/77/94/50/1090779450.db2.gz VORYKWDPZOCYOE-PKOBYXMFSA-N 0 3 314.473 3.473 20 30 DGEDHN COc1cc(C)c(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001203753902 1090797785 /nfs/dbraw/zinc/79/77/85/1090797785.db2.gz BLSKVCFZYUUJPJ-MRXNPFEDSA-N 0 3 303.427 3.086 20 30 DGEDHN COc1cc(C)c(CN2CC[C@H]3SC(=O)C=C3C2)cc1C ZINC001203753902 1090797789 /nfs/dbraw/zinc/79/77/89/1090797789.db2.gz BLSKVCFZYUUJPJ-MRXNPFEDSA-N 0 3 303.427 3.086 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc(Cl)c1F)C(C)C ZINC001486374926 1090814269 /nfs/dbraw/zinc/81/42/69/1090814269.db2.gz NBNQFTCLYUWEBE-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H](CCO)C1CCCC1 ZINC001203831267 1090816224 /nfs/dbraw/zinc/81/62/24/1090816224.db2.gz RCWOCFZOHGUQDD-KRWDZBQOSA-N 0 3 321.848 3.383 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3cccc(O)c3)C2)c1 ZINC001203863798 1090822410 /nfs/dbraw/zinc/82/24/10/1090822410.db2.gz LSFLMLXWFAFUEN-IBGZPJMESA-N 0 3 308.381 3.307 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1ncccc1C)C(C)(C)C ZINC001486406986 1090824299 /nfs/dbraw/zinc/82/42/99/1090824299.db2.gz FWGXAZWYOQMMJV-MRXNPFEDSA-N 0 3 317.477 3.223 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ncccc1C)C(C)(C)C ZINC001486406985 1090824398 /nfs/dbraw/zinc/82/43/98/1090824398.db2.gz FWGXAZWYOQMMJV-INIZCTEOSA-N 0 3 317.477 3.223 20 30 DGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001203904902 1090834214 /nfs/dbraw/zinc/83/42/14/1090834214.db2.gz IQZIYCBMCLXYGK-INIZCTEOSA-N 0 3 300.402 3.254 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC001486473523 1090848938 /nfs/dbraw/zinc/84/89/38/1090848938.db2.gz UOLUQYBSBCLYQV-UHFFFAOYSA-N 0 3 322.399 3.256 20 30 DGEDHN CC#CCCCC(=O)NCC1=CCN(Cc2ccccc2)CC1 ZINC001486512320 1090863469 /nfs/dbraw/zinc/86/34/69/1090863469.db2.gz ABSYYZBPDRKLMV-UHFFFAOYSA-N 0 3 310.441 3.129 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCN3C3CCCC3)C2)cc1Cl ZINC001276434555 1090864067 /nfs/dbraw/zinc/86/40/67/1090864067.db2.gz CBNNRMPBVVTJPP-UHFFFAOYSA-N 0 3 315.848 3.414 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccc(C#N)c(F)c3)c2)CC1 ZINC001204061133 1090887812 /nfs/dbraw/zinc/88/78/12/1090887812.db2.gz RNGDEUWBTSYCGR-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001276439685 1090894859 /nfs/dbraw/zinc/89/48/59/1090894859.db2.gz IRENTDRDJGAEBD-CQSZACIVSA-N 0 3 320.502 3.329 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001128246056 1090923051 /nfs/dbraw/zinc/92/30/51/1090923051.db2.gz PDWLLRHWXVEFRY-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccccc1OC1CC1 ZINC001128245900 1090923306 /nfs/dbraw/zinc/92/33/06/1090923306.db2.gz LBPPQFFYIXMETQ-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204281565 1090939127 /nfs/dbraw/zinc/93/91/27/1090939127.db2.gz WHXMUGWHVLKDAW-GOSISDBHSA-N 0 3 324.380 3.013 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204281565 1090939130 /nfs/dbraw/zinc/93/91/30/1090939130.db2.gz WHXMUGWHVLKDAW-GOSISDBHSA-N 0 3 324.380 3.013 20 30 DGEDHN [O-]c1cc(O)ccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001204278175 1090939620 /nfs/dbraw/zinc/93/96/20/1090939620.db2.gz WOZHXMGOJUPPFW-UHFFFAOYSA-N 0 3 307.393 3.362 20 30 DGEDHN C=CCOc1ccc(CN2CCC(C)(C(=O)OC)CC2)cc1 ZINC001204300527 1090943011 /nfs/dbraw/zinc/94/30/11/1090943011.db2.gz USTJIPMYNTXDHM-UHFFFAOYSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3ccc(CC)o3)CC2)C1=O ZINC001272999299 1090978515 /nfs/dbraw/zinc/97/85/15/1090978515.db2.gz OJBQHHWKQUNESC-UHFFFAOYSA-N 0 3 316.445 3.233 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001273000584 1090979654 /nfs/dbraw/zinc/97/96/54/1090979654.db2.gz WDSQULRGUSPQQZ-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN C#CCN(Cc1ccc(/C=C\C(=O)OC)o1)C1CCCCC1 ZINC001204496395 1090983359 /nfs/dbraw/zinc/98/33/59/1090983359.db2.gz GLTANONEQULQSZ-QXMHVHEDSA-N 0 3 301.386 3.234 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(F)c(Cl)c3F)CCC2S1 ZINC001143618122 1090987031 /nfs/dbraw/zinc/98/70/31/1090987031.db2.gz JUPQGYBSLOIYEZ-NSHDSACASA-N 0 3 315.772 3.392 20 30 DGEDHN Cc1ccc(Nc2cccc(CN3CCN(C)CC3)c2)cc1C#N ZINC001204537978 1090994715 /nfs/dbraw/zinc/99/47/15/1090994715.db2.gz QLWATSNCNIIGJY-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN Cc1cccc(C#N)c1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001204563645 1090999919 /nfs/dbraw/zinc/99/99/19/1090999919.db2.gz CHAJIAPUGVNKRF-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN C#Cc1ccccc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001204575175 1091001472 /nfs/dbraw/zinc/00/14/72/1091001472.db2.gz ZGWLKKRJIKCQLN-UHFFFAOYSA-N 0 3 305.425 3.159 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccc(C#N)s3)cc2)CC1 ZINC001204741346 1091027263 /nfs/dbraw/zinc/02/72/63/1091027263.db2.gz ZULSLCNICIOWSA-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN Cc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)c(C#N)c1 ZINC001204747530 1091028813 /nfs/dbraw/zinc/02/88/13/1091028813.db2.gz WPEKJQSPVUXZLL-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN Cc1cc(C#N)ccc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001204747058 1091028861 /nfs/dbraw/zinc/02/88/61/1091028861.db2.gz JAXSBVGEHWEJAL-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CCCCCCC/C=C/CN1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC001273107596 1091041375 /nfs/dbraw/zinc/04/13/75/1091041375.db2.gz CNZMOPKABVIUKU-JBVUFVISSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1ccnn1-c1ccncc1 ZINC001204897940 1091058909 /nfs/dbraw/zinc/05/89/09/1091058909.db2.gz AHINIRYETGCCOI-UHFFFAOYSA-N 0 3 318.424 3.498 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001205262921 1091155307 /nfs/dbraw/zinc/15/53/07/1091155307.db2.gz GLKCIIVGFBADRQ-DLBZAZTESA-N 0 3 322.399 3.036 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC001273139770 1091173252 /nfs/dbraw/zinc/17/32/52/1091173252.db2.gz GSAJQTRLRUWOSZ-NSHDSACASA-N 0 3 301.217 3.191 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1[O-] ZINC001138625614 1091261390 /nfs/dbraw/zinc/26/13/90/1091261390.db2.gz QLNLYFNZHVEXGS-UHFFFAOYSA-N 0 3 324.424 3.149 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c1[O-] ZINC001138631648 1091263842 /nfs/dbraw/zinc/26/38/42/1091263842.db2.gz XBQKYWKTPRUSLR-UHFFFAOYSA-N 0 3 323.440 3.228 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCCN(c3cccnc3)CC2)c1[O-] ZINC001138631648 1091263846 /nfs/dbraw/zinc/26/38/46/1091263846.db2.gz XBQKYWKTPRUSLR-UHFFFAOYSA-N 0 3 323.440 3.228 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@H](C(=O)OC)C1 ZINC001138662885 1091278617 /nfs/dbraw/zinc/27/86/17/1091278617.db2.gz GKRPOUYXWYIBAD-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@](O)(CF)CC1 ZINC001138661928 1091279134 /nfs/dbraw/zinc/27/91/34/1091279134.db2.gz JGZDMGOUXGVZME-GOSISDBHSA-N 0 3 307.409 3.328 20 30 DGEDHN C=C(C)COc1ccccc1CN(CCC(=O)OC)C1CC1 ZINC001138666311 1091280564 /nfs/dbraw/zinc/28/05/64/1091280564.db2.gz QDQUGDOVISKIJS-UHFFFAOYSA-N 0 3 303.402 3.169 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001138667444 1091283033 /nfs/dbraw/zinc/28/30/33/1091283033.db2.gz XOOSXJPOFYGQRY-INIZCTEOSA-N 0 3 315.413 3.027 20 30 DGEDHN CNc1ncccc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001138694965 1091292112 /nfs/dbraw/zinc/29/21/12/1091292112.db2.gz PQTGIGMMDYEHFO-UHFFFAOYSA-N 0 3 305.425 3.387 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001494554998 1091331728 /nfs/dbraw/zinc/33/17/28/1091331728.db2.gz FLJHNXGVTUAHKV-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN Cc1cnccc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001205873163 1091388939 /nfs/dbraw/zinc/38/89/39/1091388939.db2.gz OKFGIFCIABMHEK-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@@](C)(C(=O)OC)C1 ZINC001139029513 1091423236 /nfs/dbraw/zinc/42/32/36/1091423236.db2.gz BJQKVGBLVSCAHP-GOSISDBHSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001139029685 1091424666 /nfs/dbraw/zinc/42/46/66/1091424666.db2.gz HBMNHOTUXLXHJE-GDBMZVCRSA-N 0 3 303.402 3.025 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3ccncc3c2)no1 ZINC001206094311 1091488637 /nfs/dbraw/zinc/48/86/37/1091488637.db2.gz GLQHUUNIANNIOP-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C(#CC1CCN(Cc2ccc3nonc3c2)CC1)c1ccccc1 ZINC001139223692 1091493239 /nfs/dbraw/zinc/49/32/39/1091493239.db2.gz XBRMEDBPDAIYBI-UHFFFAOYSA-N 0 3 317.392 3.487 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC001084542387 1091499847 /nfs/dbraw/zinc/49/98/47/1091499847.db2.gz ZJKVROPVCQEQSI-WOJBJXKFSA-N 0 3 324.468 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084577991 1091506253 /nfs/dbraw/zinc/50/62/53/1091506253.db2.gz DBFKPTMJNYSLAT-GDBMZVCRSA-N 0 3 318.486 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN([C@H]3CCc4ccccc43)C[C@H]21 ZINC001084578332 1091507284 /nfs/dbraw/zinc/50/72/84/1091507284.db2.gz UXXGSLKRTIQCFQ-NZSAHSFTSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CCCCCCN1C[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC001206156071 1091512563 /nfs/dbraw/zinc/51/25/63/1091512563.db2.gz ZOWLYLGSXVEHAB-UKRRQHHQSA-N 0 3 321.490 3.248 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CC3CCCC3)[C@@H]2C1 ZINC001084699151 1091538188 /nfs/dbraw/zinc/53/81/88/1091538188.db2.gz YMBOSWCLNHNZAD-IPMKNSEASA-N 0 3 316.489 3.149 20 30 DGEDHN CC(=O)C1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406959 1091550531 /nfs/dbraw/zinc/55/05/31/1091550531.db2.gz KRQDZVLFZJFNHR-UHFFFAOYSA-N 0 3 319.408 3.421 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)csc3Cl)[C@@H]2C1 ZINC001084798884 1091570090 /nfs/dbraw/zinc/57/00/90/1091570090.db2.gz HSUGSOIAYJWEHS-CHWSQXEVSA-N 0 3 324.877 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCC(C4CC4)CC3)[C@@H]2C1 ZINC001084804490 1091576136 /nfs/dbraw/zinc/57/61/36/1091576136.db2.gz TXAHNWHDILGVQJ-CSODTCANSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc(C)cc34)[C@@H]2C1 ZINC001084856990 1091595179 /nfs/dbraw/zinc/59/51/79/1091595179.db2.gz GSUYBEIMTPBFTK-DNVCBOLYSA-N 0 3 323.440 3.199 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(F)F)o1)C2 ZINC001098297980 1091610931 /nfs/dbraw/zinc/61/09/31/1091610931.db2.gz NBTIUXJZQMAELO-UTUOFQBUSA-N 0 3 310.344 3.128 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C[C@@H]21 ZINC001084948207 1091622743 /nfs/dbraw/zinc/62/27/43/1091622743.db2.gz QHOGXQDBJUHXHZ-KURKYZTESA-N 0 3 302.462 3.232 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(CNCc2nccs2)CC1 ZINC001206428152 1091628805 /nfs/dbraw/zinc/62/88/05/1091628805.db2.gz UXCZEQOOIDUJNU-UHFFFAOYSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)C3CC3)C[C@@H]21 ZINC001084989047 1091631464 /nfs/dbraw/zinc/63/14/64/1091631464.db2.gz ZRYCNWITJUGAOD-LSTHTHJFSA-N 0 3 324.468 3.289 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2cc(C#N)ccc2F)CC1 ZINC001139646902 1091634374 /nfs/dbraw/zinc/63/43/74/1091634374.db2.gz AOJYQNBCNAETRV-UHFFFAOYSA-N 0 3 324.403 3.140 20 30 DGEDHN N#Cc1cccc2c(CN3CCC4(C[C@@H](F)CO4)CC3)c[nH]c21 ZINC001139705942 1091648020 /nfs/dbraw/zinc/64/80/20/1091648020.db2.gz HJBRROIMSDYMPF-OAHLLOKOSA-N 0 3 313.376 3.133 20 30 DGEDHN CN(Cc1c[nH]c2c1cccc2C#N)Cc1ccc2c(c1)OCO2 ZINC001139705957 1091648689 /nfs/dbraw/zinc/64/86/89/1091648689.db2.gz HRTTUZNMXCBHFQ-UHFFFAOYSA-N 0 3 319.364 3.400 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3C)C[C@@H]21 ZINC001085048940 1091650305 /nfs/dbraw/zinc/65/03/05/1091650305.db2.gz QTTSKLFBROOMHS-NSHGMRRFSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3cc(C)oc3C)C[C@@H]21 ZINC001085057563 1091654068 /nfs/dbraw/zinc/65/40/68/1091654068.db2.gz KUJRCAONMJIARH-KYJSFNMBSA-N 0 3 316.445 3.109 20 30 DGEDHN Cc1cccc(N2CCCN(Cc3ccc(C)c(C#N)c3)CC2)n1 ZINC001139725911 1091654405 /nfs/dbraw/zinc/65/44/05/1091654405.db2.gz JCYHSEWNVUZVJF-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN CCc1noc([C@@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC001139725774 1091655231 /nfs/dbraw/zinc/65/52/31/1091655231.db2.gz BSVSDSDCBDPTLU-OAHLLOKOSA-N 0 3 310.401 3.192 20 30 DGEDHN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139727278 1091656646 /nfs/dbraw/zinc/65/66/46/1091656646.db2.gz LYKIKAFTZMHBRY-MRXNPFEDSA-N 0 3 300.402 3.032 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CCCC(C)(C)C3)C[C@@H]21 ZINC001085075783 1091658124 /nfs/dbraw/zinc/65/81/24/1091658124.db2.gz KYDPBSSWXZXXPL-KSZLIROESA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCn1cc(CN2CCC(c3cccc(C#N)c3)CC2)cn1 ZINC001139770139 1091667281 /nfs/dbraw/zinc/66/72/81/1091667281.db2.gz DYSJSMMXINLDDM-UHFFFAOYSA-N 0 3 306.413 3.320 20 30 DGEDHN C=CCn1cc(CN2CCC3(CC2)OCCc2ccccc23)cn1 ZINC001139772972 1091668793 /nfs/dbraw/zinc/66/87/93/1091668793.db2.gz VTQAXCLJTSUOEU-UHFFFAOYSA-N 0 3 323.440 3.133 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1nsc2ccc(C)cc21 ZINC001139869665 1091696210 /nfs/dbraw/zinc/69/62/10/1091696210.db2.gz OYVWIELTPRXLJN-UHFFFAOYSA-N 0 3 317.458 3.185 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1cc(C)cc(C)c1 ZINC001139865816 1091696429 /nfs/dbraw/zinc/69/64/29/1091696429.db2.gz RTNLNJAUCGMDKG-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN N#Cc1cc(F)cc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC001139879030 1091700913 /nfs/dbraw/zinc/70/09/13/1091700913.db2.gz FPROFJXDLFODIK-HDICACEKSA-N 0 3 321.399 3.266 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001139883676 1091702359 /nfs/dbraw/zinc/70/23/59/1091702359.db2.gz CTAXWUHCMSLMAK-KRWDZBQOSA-N 0 3 314.429 3.441 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(F)(F)C1 ZINC001085219399 1091717747 /nfs/dbraw/zinc/71/77/47/1091717747.db2.gz WARSETNMBFPABJ-YNEHKIRRSA-N 0 3 320.811 3.191 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccncc1CC ZINC001085252624 1091725297 /nfs/dbraw/zinc/72/52/97/1091725297.db2.gz YHARHWGBBFDPHR-HZPDHXFCSA-N 0 3 321.852 3.027 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]c1CCC ZINC001085305578 1091741845 /nfs/dbraw/zinc/74/18/45/1091741845.db2.gz CEMBHCOSWPWKRW-HZPDHXFCSA-N 0 3 323.868 3.350 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC001140137460 1091781332 /nfs/dbraw/zinc/78/13/32/1091781332.db2.gz KVWOMMGIWACUNR-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608318 1091857906 /nfs/dbraw/zinc/85/79/06/1091857906.db2.gz OKABEAMKAJWRET-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001085640819 1091867254 /nfs/dbraw/zinc/86/72/54/1091867254.db2.gz WPOSVJMLXVMZQU-KRWDZBQOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001316661952 1091872028 /nfs/dbraw/zinc/87/20/28/1091872028.db2.gz UTZAEOUVJXQJCP-AEGPPILISA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1C ZINC001207179870 1091876473 /nfs/dbraw/zinc/87/64/73/1091876473.db2.gz MYFADTMOGIPHLQ-FFRPFHMCSA-N 0 3 312.457 3.493 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2ccccc2F)C[C@H]1C ZINC001207215586 1091889310 /nfs/dbraw/zinc/88/93/10/1091889310.db2.gz MAHXIZUELVEXMY-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](CN(CCC#N)C2CCCC2)C1 ZINC001207211259 1091889828 /nfs/dbraw/zinc/88/98/28/1091889828.db2.gz PRBFEIYSXXOSCT-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(OC)c1 ZINC001085708583 1091891095 /nfs/dbraw/zinc/89/10/95/1091891095.db2.gz MFVJHESLPQKRCU-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(OC)c1 ZINC001085708582 1091891724 /nfs/dbraw/zinc/89/17/24/1091891724.db2.gz MFVJHESLPQKRCU-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cc(C)ccc2n1 ZINC001085714854 1091895709 /nfs/dbraw/zinc/89/57/09/1091895709.db2.gz VLQYEUHTFUOOCO-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001085751286 1091915549 /nfs/dbraw/zinc/91/55/49/1091915549.db2.gz BULJIJFOOJPRAN-AWEZNQCLSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1C ZINC001085796311 1091941892 /nfs/dbraw/zinc/94/18/92/1091941892.db2.gz OJVGZLXNAWNWOB-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001085816575 1091953108 /nfs/dbraw/zinc/95/31/08/1091953108.db2.gz AQJWOYDZUJIULM-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001297761261 1091962326 /nfs/dbraw/zinc/96/23/26/1091962326.db2.gz QAXYYSPOHWINAY-MRXNPFEDSA-N 0 3 323.440 3.486 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1F ZINC001085833591 1091963441 /nfs/dbraw/zinc/96/34/41/1091963441.db2.gz NADUYUTZKZAHSN-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN COc1cccc(Cl)c1CN1CCC2SC(=O)C=C2C1 ZINC001140727944 1091976370 /nfs/dbraw/zinc/97/63/70/1091976370.db2.gz DICONTYLEDTSJQ-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001085862059 1091985529 /nfs/dbraw/zinc/98/55/29/1091985529.db2.gz OJSMJHPYXFODAK-WUJZJPHMSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001298203092 1092042606 /nfs/dbraw/zinc/04/26/06/1092042606.db2.gz BYBFPVKOHBGAKT-KRWDZBQOSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001085955888 1092045744 /nfs/dbraw/zinc/04/57/44/1092045744.db2.gz NEDXDCAJQBRHPV-GOSISDBHSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1OC ZINC001085958676 1092049774 /nfs/dbraw/zinc/04/97/74/1092049774.db2.gz HNTOZHMZPNSNGU-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2c(s1)CCC2 ZINC001085960204 1092056240 /nfs/dbraw/zinc/05/62/40/1092056240.db2.gz XZFGBJBDBUQEON-HNNXBMFYSA-N 0 3 318.486 3.349 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961493 1092057532 /nfs/dbraw/zinc/05/75/32/1092057532.db2.gz HNGTYBFMJWSBME-MRXNPFEDSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c2occc21 ZINC001085980705 1092070253 /nfs/dbraw/zinc/07/02/53/1092070253.db2.gz VUMMWDJHJATDMP-ZDUSSCGKSA-N 0 3 316.376 3.294 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207719029 1092081316 /nfs/dbraw/zinc/08/13/16/1092081316.db2.gz XUBRNMGISWNKDL-PKOBYXMFSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCCCCCCCCN1CCC(O)(C(=O)OC)CC1 ZINC001207899735 1092132414 /nfs/dbraw/zinc/13/24/14/1092132414.db2.gz KDBBWSGSWNIAAB-UHFFFAOYSA-N 0 3 311.466 3.293 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246890 1092147356 /nfs/dbraw/zinc/14/73/56/1092147356.db2.gz XLMWMYDBQZRAAG-APWZRJJASA-N 0 3 322.493 3.151 20 30 DGEDHN C=C[C@H](C(=O)N1CCN(C)C2(CCCCC2)C1)c1ccccc1 ZINC001141157972 1092155938 /nfs/dbraw/zinc/15/59/38/1092155938.db2.gz PSSNJDQDYBPFLT-SFHVURJKSA-N 0 3 312.457 3.433 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CCCc1ccccc1Cl ZINC001273412676 1092171246 /nfs/dbraw/zinc/17/12/46/1092171246.db2.gz JJTZALNGWOCVRP-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001316666713 1092174364 /nfs/dbraw/zinc/17/43/64/1092174364.db2.gz JGDDXNROGDUUHL-XJKSGUPXSA-N 0 3 324.896 3.440 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001491584177 1092183231 /nfs/dbraw/zinc/18/32/31/1092183231.db2.gz CYASKDLUARNLTC-QXAKKESOSA-N 0 3 312.457 3.078 20 30 DGEDHN CC(C)CCCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001491588394 1092184374 /nfs/dbraw/zinc/18/43/74/1092184374.db2.gz YTUZODBSYVFUPE-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cc2ccccc2o1)C1CC1 ZINC001276554120 1092194487 /nfs/dbraw/zinc/19/44/87/1092194487.db2.gz WISGHZVOFVWDPU-KRWDZBQOSA-N 0 3 312.413 3.383 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C(F)F)cc2)C1=O ZINC001273426657 1092230458 /nfs/dbraw/zinc/23/04/58/1092230458.db2.gz VSCXFLAKCWJEBN-SFHVURJKSA-N 0 3 320.383 3.377 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001086411206 1092241297 /nfs/dbraw/zinc/24/12/97/1092241297.db2.gz UWPVZQHXJNGSTI-YHUYYLMFSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001491965745 1092329552 /nfs/dbraw/zinc/32/95/52/1092329552.db2.gz SQKBPTLQDJDJCQ-MRXNPFEDSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1ccccc1F ZINC001492098628 1092381040 /nfs/dbraw/zinc/38/10/40/1092381040.db2.gz KSYOAQXKIBJCFJ-OLZOCXBDSA-N 0 3 312.816 3.166 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1CCC1CCCC1 ZINC001208695511 1092462271 /nfs/dbraw/zinc/46/22/71/1092462271.db2.gz VXMYHOVLRSCTMC-QGZVFWFLSA-N 0 3 303.450 3.102 20 30 DGEDHN C=CCCCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001492393637 1092494249 /nfs/dbraw/zinc/49/42/49/1092494249.db2.gz SAQPDRBVKQPHGT-QGZVFWFLSA-N 0 3 304.409 3.217 20 30 DGEDHN CN1CCN(CCCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC001208852408 1092543704 /nfs/dbraw/zinc/54/37/04/1092543704.db2.gz JFFPMJMSIJXHTQ-OAQYLSRUSA-N 0 3 319.452 3.480 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1CC1(C)CCCCC1 ZINC001208900669 1092574937 /nfs/dbraw/zinc/57/49/37/1092574937.db2.gz VQFZQODNVSZGHU-QGZVFWFLSA-N 0 3 317.477 3.492 20 30 DGEDHN COc1cccc(CN(C)CCc2ccc(C#N)cc2)c1OC ZINC001208928833 1092590941 /nfs/dbraw/zinc/59/09/41/1092590941.db2.gz JLJQFXSLHLYIIH-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001169235812 1092610276 /nfs/dbraw/zinc/61/02/76/1092610276.db2.gz CWQYIFQDUJDUCU-HNNXBMFYSA-N 0 3 304.434 3.237 20 30 DGEDHN C=CCN(CCN(C)CCc1ccccc1Cl)C(=O)OCC ZINC001209021671 1092628426 /nfs/dbraw/zinc/62/84/26/1092628426.db2.gz BWVZJOLAFXNGGJ-UHFFFAOYSA-N 0 3 324.852 3.459 20 30 DGEDHN C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001169289429 1092631048 /nfs/dbraw/zinc/63/10/48/1092631048.db2.gz VCJUBIAYHUPEJN-CYBMUJFWSA-N 0 3 310.825 3.023 20 30 DGEDHN CCOC(C)(C)CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209078666 1092642890 /nfs/dbraw/zinc/64/28/90/1092642890.db2.gz KIKSKFWPGXJHJQ-UHFFFAOYSA-N 0 3 304.409 3.498 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C(C)(C)C1 ZINC001276616362 1092657825 /nfs/dbraw/zinc/65/78/25/1092657825.db2.gz VZMWPTGSYPXADF-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN CC1(C)CC[C@H]1C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209122600 1092661816 /nfs/dbraw/zinc/66/18/16/1092661816.db2.gz SXNCVXFCQGZURT-MOPGFXCFSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001209146054 1092671104 /nfs/dbraw/zinc/67/11/04/1092671104.db2.gz KEYHRAAKYCYGBP-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001209164400 1092677178 /nfs/dbraw/zinc/67/71/78/1092677178.db2.gz XSSDGWQNZBXWKV-UHFFFAOYSA-N 0 3 307.459 3.236 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCN1CCC(C#N)CC1 ZINC001209164651 1092677675 /nfs/dbraw/zinc/67/76/75/1092677675.db2.gz FPNFGDPTLOUKMG-MRXNPFEDSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209182876 1092684693 /nfs/dbraw/zinc/68/46/93/1092684693.db2.gz JIOPXXBYPMTBAJ-QWHCGFSZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001209208811 1092697152 /nfs/dbraw/zinc/69/71/52/1092697152.db2.gz LPNVMELXYLYWNY-KZNAEPCWSA-N 0 3 324.509 3.232 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC001209301980 1092730602 /nfs/dbraw/zinc/73/06/02/1092730602.db2.gz YPOJJUGQELICHI-HXUWFJFHSA-N 0 3 322.408 3.480 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001209336338 1092738354 /nfs/dbraw/zinc/73/83/54/1092738354.db2.gz WDPAFAZVFSCAIT-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001150796644 1092827150 /nfs/dbraw/zinc/82/71/50/1092827150.db2.gz WXHQMBSLEQYZBB-MSOLQXFVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151288453 1092882637 /nfs/dbraw/zinc/88/26/37/1092882637.db2.gz TUCYRDQGOXNXPC-KRWDZBQOSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001209865856 1092955560 /nfs/dbraw/zinc/95/55/60/1092955560.db2.gz LITICZVYSWSPMI-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001210111401 1093045571 /nfs/dbraw/zinc/04/55/71/1093045571.db2.gz LFHCWAUWPBHZIN-FGTMMUONSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001210307329 1093120017 /nfs/dbraw/zinc/12/00/17/1093120017.db2.gz KVFMMUYNAKUSNH-BRWVUGGUSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001210816608 1093290100 /nfs/dbraw/zinc/29/01/00/1093290100.db2.gz ZCYWPIGZLOGJFL-BPQIPLTHSA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)CCCCC1 ZINC001211347478 1093467517 /nfs/dbraw/zinc/46/75/17/1093467517.db2.gz VKRBKIKCZJZPOT-SJORKVTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC001211399255 1093481630 /nfs/dbraw/zinc/48/16/30/1093481630.db2.gz LFIPMNFQZXRJDG-ZTFGCOKTSA-N 0 3 318.436 3.188 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@](C)(C=C)CC)[C@H](OC)C1 ZINC001213390282 1093579044 /nfs/dbraw/zinc/57/90/44/1093579044.db2.gz WICUMKFVUQNOOW-ZHALLVOQSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213389688 1093579183 /nfs/dbraw/zinc/57/91/83/1093579183.db2.gz DZWUWLZIYGAUBS-XKQJJJQCSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CCCCCC)[C@H](OC)C1 ZINC001213602627 1093623020 /nfs/dbraw/zinc/62/30/20/1093623020.db2.gz RCWPMLDKDQSICT-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](CC)CCC)[C@H](OC)C1 ZINC001213638266 1093632220 /nfs/dbraw/zinc/63/22/20/1093632220.db2.gz GZKVTBMNFWBXKV-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)[C@H](OC)C1 ZINC001213934154 1093683041 /nfs/dbraw/zinc/68/30/41/1093683041.db2.gz LGBBDOCHIKYDDB-RCCFBDPRSA-N 0 3 324.509 3.230 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@@H](C)C2CC2)[C@H](OC)C1 ZINC001213940860 1093684142 /nfs/dbraw/zinc/68/41/42/1093684142.db2.gz URRTTZYUBNGNSZ-KBAYOESNSA-N 0 3 324.509 3.208 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214727699 1093841343 /nfs/dbraw/zinc/84/13/43/1093841343.db2.gz NKANHAKYDQBIGW-VXGBXAGGSA-N 0 3 319.276 3.344 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3ccccc3C#N)n2)cc1 ZINC001215256812 1093946427 /nfs/dbraw/zinc/94/64/27/1093946427.db2.gz WSAZKDILDMUKFJ-UHFFFAOYSA-N 0 3 304.353 3.337 20 30 DGEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1ccc(C#N)cn1 ZINC000404292736 1094252843 /nfs/dbraw/zinc/25/28/43/1094252843.db2.gz BNMZSGYLLDJMOZ-YESZJQIVSA-N 0 3 320.440 3.441 20 30 DGEDHN CC(C)CCCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001134788741 1094288423 /nfs/dbraw/zinc/28/84/23/1094288423.db2.gz HFEUBUQNANDAKY-UHFFFAOYSA-N 0 3 321.490 3.432 20 30 DGEDHN C[C@H](C(=O)NCCNCc1cccc(C#N)c1)[C@H](C)C(C)(C)C ZINC001135177786 1094429407 /nfs/dbraw/zinc/42/94/07/1094429407.db2.gz LPECYUUFJUWEBH-GJZGRUSLSA-N 0 3 315.461 3.082 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)CCC)[C@H]2C1 ZINC001217573111 1094444051 /nfs/dbraw/zinc/44/40/51/1094444051.db2.gz JYDJPQIUDATSTP-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135235101 1094453334 /nfs/dbraw/zinc/45/33/34/1094453334.db2.gz GWQMXOCQBBMEEJ-ZIAGYGMSSA-N 0 3 321.490 3.018 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OC1(Cl)c2ccccc2-c2ccccc21 ZINC001217831707 1094502348 /nfs/dbraw/zinc/50/23/48/1094502348.db2.gz KVUZOJYRGLLXLI-YVEFUNNKSA-N 0 3 310.784 3.235 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@@H](C)C(C)C)C2 ZINC001120793878 1094526395 /nfs/dbraw/zinc/52/63/95/1094526395.db2.gz JTEROZCLDISVGA-WCWKGHBLSA-N 0 3 312.885 3.438 20 30 DGEDHN Fc1ccc(C#Cc2ccc(O[C@H]3CCNC[C@H]3F)cc2)cc1 ZINC001218064474 1094583189 /nfs/dbraw/zinc/58/31/89/1094583189.db2.gz LKBCWDJYJKNEJG-MOPGFXCFSA-N 0 3 313.347 3.304 20 30 DGEDHN F[C@@H]1CNCC[C@@H]1Oc1ccccc1C=NNc1ccccc1 ZINC001218071858 1094588028 /nfs/dbraw/zinc/58/80/28/1094588028.db2.gz QHYDAMYNZVLEDO-AEFFLSMTSA-N 0 3 313.376 3.211 20 30 DGEDHN N#Cc1ccc(-c2cccc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)c2)cc1 ZINC001218129017 1094622840 /nfs/dbraw/zinc/62/28/40/1094622840.db2.gz YAOLMTIVSDPSFL-XUVXKRRUSA-N 0 3 320.392 3.123 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(F)ccc2C)C1 ZINC001086769233 1094672716 /nfs/dbraw/zinc/67/27/16/1094672716.db2.gz XGHBWBILUFTQRC-DZGCQCFKSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001086793949 1094687802 /nfs/dbraw/zinc/68/78/02/1094687802.db2.gz UMIMKZJIZCEMAD-VXGQWTEUSA-N 0 3 316.848 3.142 20 30 DGEDHN CC1(C)C[C@@H](NC[C@H](O)CC2(C#N)CC2)c2cc(F)ccc2O1 ZINC001336834751 1094754380 /nfs/dbraw/zinc/75/43/80/1094754380.db2.gz VDOUSEXBUWHQQK-UKRRQHHQSA-N 0 3 318.392 3.072 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1ccccc1F ZINC001276784657 1094760921 /nfs/dbraw/zinc/76/09/21/1094760921.db2.gz XPUGGJLIFBNWQU-HNNXBMFYSA-N 0 3 304.409 3.376 20 30 DGEDHN C=C[C@H](Oc1nc2onc(C)c2c2c1CNCC2)c1ccccc1 ZINC001218439443 1094775162 /nfs/dbraw/zinc/77/51/62/1094775162.db2.gz AMTLEBXNBUPCKA-INIZCTEOSA-N 0 3 321.380 3.483 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc2sc(C)nc2cc1OC ZINC001121862632 1094798414 /nfs/dbraw/zinc/79/84/14/1094798414.db2.gz LOCNGWRSXXLQJW-NSHDSACASA-N 0 3 319.430 3.235 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC001121881644 1094810224 /nfs/dbraw/zinc/81/02/24/1094810224.db2.gz QCTVRSKUCSPBGU-UHOFOFEASA-N 0 3 324.852 3.216 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NCc1cn2ccsc2n1 ZINC001121900752 1094819713 /nfs/dbraw/zinc/81/97/13/1094819713.db2.gz IULMEHBXGBIYQF-AWEZNQCLSA-N 0 3 322.478 3.090 20 30 DGEDHN CC1=CC(=O)c2c(O[C@H]3CNCc4ccccc43)cccc2C1=O ZINC001218491917 1094819667 /nfs/dbraw/zinc/81/96/67/1094819667.db2.gz YJKHLWKVGQTIDN-SFHVURJKSA-N 0 3 319.360 3.235 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC001121940254 1094836833 /nfs/dbraw/zinc/83/68/33/1094836833.db2.gz GUHCOTNNCZFAMK-HNNXBMFYSA-N 0 3 300.406 3.239 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cnc2ccc(O)cc2c1 ZINC001218640751 1094843813 /nfs/dbraw/zinc/84/38/13/1094843813.db2.gz QCJHTNXNSHLBHQ-INIZCTEOSA-N 0 3 313.401 3.343 20 30 DGEDHN C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)C1(C)CC1 ZINC001170920522 1094930018 /nfs/dbraw/zinc/93/00/18/1094930018.db2.gz DTKVWPRBRNYPSM-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)N1CCC2(CC1)CNCCO2 ZINC001122234961 1094931285 /nfs/dbraw/zinc/93/12/85/1094931285.db2.gz WXKDXMVDYKAINB-KRWDZBQOSA-N 0 3 324.509 3.354 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCCCCCC)C1 ZINC001111748677 1094957774 /nfs/dbraw/zinc/95/77/74/1094957774.db2.gz IXBMUXMWEFQSIV-AOIWGVFYSA-N 0 3 322.493 3.129 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]2F)cc1 ZINC001122459517 1094979997 /nfs/dbraw/zinc/97/99/97/1094979997.db2.gz PZMSZSKCRXZQHG-BSLXNSKLSA-N 0 3 302.349 3.205 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCCCN1C ZINC001337477913 1094990492 /nfs/dbraw/zinc/99/04/92/1094990492.db2.gz AKMNXBCAOUIKAK-AWEZNQCLSA-N 0 3 304.459 3.179 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001111882489 1094997651 /nfs/dbraw/zinc/99/76/51/1094997651.db2.gz PMJYBNZNARWFBW-BXWFABGCSA-N 0 3 304.478 3.053 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccc(C2CC2)cc1 ZINC001122606474 1095016481 /nfs/dbraw/zinc/01/64/81/1095016481.db2.gz MWICNNKQJKOINF-QGZVFWFLSA-N 0 3 307.397 3.497 20 30 DGEDHN C=C[C@@H]1C[C@]1(N)C(=O)NCCc1cccc(Oc2ccccc2)c1 ZINC001219906893 1095032135 /nfs/dbraw/zinc/03/21/35/1095032135.db2.gz VTWXBFYULCPKCV-OXQOHEQNSA-N 0 3 322.408 3.041 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N[C@H]1CCc2ccc(OC)cc21 ZINC001220634286 1095130496 /nfs/dbraw/zinc/13/04/96/1095130496.db2.gz KOYPGUQJZADKTP-ROUUACIJSA-N 0 3 316.445 3.263 20 30 DGEDHN N#CCOc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000113347259 1095155674 /nfs/dbraw/zinc/15/56/74/1095155674.db2.gz TYLOHRVTIMIXCO-UHFFFAOYSA-N 0 3 318.380 3.064 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CN(CCCC)C[C@@H]1O ZINC001220841137 1095161906 /nfs/dbraw/zinc/16/19/06/1095161906.db2.gz KAPFRQHRYZATSC-SJORKVTESA-N 0 3 312.498 3.089 20 30 DGEDHN CCC(=O)NCC1(NCc2ccc(C#N)cc2F)CCCCC1 ZINC001115370353 1095193758 /nfs/dbraw/zinc/19/37/58/1095193758.db2.gz PIWPINSVXPBTAH-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001123237237 1095196634 /nfs/dbraw/zinc/19/66/34/1095196634.db2.gz XRQDSRXUVSHHHF-KWCYVHTRSA-N 0 3 315.323 3.161 20 30 DGEDHN CCCC(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115381343 1095199317 /nfs/dbraw/zinc/19/93/17/1095199317.db2.gz QAGSRBIGSJUDJS-UHFFFAOYSA-N 0 3 312.457 3.247 20 30 DGEDHN C[C@H]1C[C@@H]1C(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115389091 1095203533 /nfs/dbraw/zinc/20/35/33/1095203533.db2.gz IGXNABWKWYQFMH-HKUYNNGSSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cncs2)CCCCC1 ZINC001115442651 1095223070 /nfs/dbraw/zinc/22/30/70/1095223070.db2.gz JMPIOZRMNAQTMQ-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C=CCCC(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115442985 1095223234 /nfs/dbraw/zinc/22/32/34/1095223234.db2.gz YSQKBHIUXQKYGS-UHFFFAOYSA-N 0 3 324.468 3.413 20 30 DGEDHN C/C=C(\C)C(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115473323 1095239154 /nfs/dbraw/zinc/23/91/54/1095239154.db2.gz VGNYRBMLSUTMFJ-JFQJCAQQSA-N 0 3 324.468 3.413 20 30 DGEDHN C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@@H](C)N1CC#N ZINC001338287267 1095251273 /nfs/dbraw/zinc/25/12/73/1095251273.db2.gz CWPYMABSDUIGMT-IAGOWNOFSA-N 0 3 320.440 3.167 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc[nH]c2CC)CCCCC1 ZINC001115516782 1095260567 /nfs/dbraw/zinc/26/05/67/1095260567.db2.gz IARAHMQEGZFOHI-UHFFFAOYSA-N 0 3 323.868 3.352 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001221927081 1095390206 /nfs/dbraw/zinc/39/02/06/1095390206.db2.gz NBRYRDCWHOYHPX-GUDVDZBRSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2C(C)C)CCCCC1 ZINC001115797381 1095392235 /nfs/dbraw/zinc/39/22/35/1095392235.db2.gz BKQQWKZSKYPBFH-LSDHHAIUSA-N 0 3 312.885 3.440 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@H]2CCN([C@@H](C)COC)C[C@H]21 ZINC001221975064 1095403343 /nfs/dbraw/zinc/40/33/43/1095403343.db2.gz QTVQWAGHARBFRE-RCCFBDPRSA-N 0 3 324.509 3.305 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCCC)[C@@H]2C1 ZINC001222037958 1095413558 /nfs/dbraw/zinc/41/35/58/1095413558.db2.gz GFUURMMYHVVRQK-RCCFBDPRSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(CC(C)C)CC(C)C)[C@@H]2C1 ZINC001222058208 1095419358 /nfs/dbraw/zinc/41/93/58/1095419358.db2.gz QJIIGZTZACOXEV-IEBWSBKVSA-N 0 3 318.505 3.251 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCC[C@H](NCCF)C1)c1ccccc1 ZINC001222156298 1095462712 /nfs/dbraw/zinc/46/27/12/1095462712.db2.gz DCJNGFJTRVIZPM-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)C2CCOCC2)nc1 ZINC001144163205 1095540813 /nfs/dbraw/zinc/54/08/13/1095540813.db2.gz UQWRSEDDKMFRFW-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN C=CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001116539485 1095592701 /nfs/dbraw/zinc/59/27/01/1095592701.db2.gz WUXOYEPVOQRMQL-MRXNPFEDSA-N 0 3 313.397 3.331 20 30 DGEDHN C=CCO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001116539485 1095592709 /nfs/dbraw/zinc/59/27/09/1095592709.db2.gz WUXOYEPVOQRMQL-MRXNPFEDSA-N 0 3 313.397 3.331 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001222407567 1095600632 /nfs/dbraw/zinc/60/06/32/1095600632.db2.gz XUYYAHFVULJUJZ-AEFFLSMTSA-N 0 3 316.420 3.215 20 30 DGEDHN CCc1cccc(Cl)c1CNCCNc1ncccc1C#N ZINC001116739034 1095647132 /nfs/dbraw/zinc/64/71/32/1095647132.db2.gz RNXOLYIFDVMSAJ-UHFFFAOYSA-N 0 3 314.820 3.371 20 30 DGEDHN N=C(Nc1ccc(C(N)=S)cc1)c1ccc2cc(O)ccc2c1 ZINC001171182536 1095660784 /nfs/dbraw/zinc/66/07/84/1095660784.db2.gz OLTDDDSUCXOVFD-UHFFFAOYSA-N 0 3 321.405 3.217 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001091127916 1095680316 /nfs/dbraw/zinc/68/03/16/1095680316.db2.gz UZMZEMYQCOVJCP-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(CC)s2)C1 ZINC001091129479 1095680600 /nfs/dbraw/zinc/68/06/00/1095680600.db2.gz MAXMWQGQTXQKON-UHFFFAOYSA-N 0 3 312.866 3.161 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NC(=N)c1ccc2ccccc2n1 ZINC001171192899 1095682304 /nfs/dbraw/zinc/68/23/04/1095682304.db2.gz QNVBNZUENOZTAE-AWEZNQCLSA-N 0 3 314.392 3.443 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CC2)OC(=O)c2ccccc23)cc1 ZINC001144573998 1095722440 /nfs/dbraw/zinc/72/24/40/1095722440.db2.gz XLYRMTRETYGVCY-UHFFFAOYSA-N 0 3 317.388 3.330 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(c2ccccc2)CC1 ZINC001171203525 1095747831 /nfs/dbraw/zinc/74/78/31/1095747831.db2.gz NPWLJFQEJBPMQS-QGZVFWFLSA-N 0 3 305.425 3.311 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001222790184 1095753676 /nfs/dbraw/zinc/75/36/76/1095753676.db2.gz VNNRLMJTGBPLBG-KGLIPLIRSA-N 0 3 318.383 3.218 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001117576801 1095782323 /nfs/dbraw/zinc/78/23/23/1095782323.db2.gz LMWVCNKHYSMIKI-UHFFFAOYSA-N 0 3 304.393 3.306 20 30 DGEDHN CCCCCCC[C@H](C)CNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001339996112 1095808454 /nfs/dbraw/zinc/80/84/54/1095808454.db2.gz NRCJTWNUNOTJJZ-LSDHHAIUSA-N 0 3 320.481 3.403 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001091269817 1095862044 /nfs/dbraw/zinc/86/20/44/1095862044.db2.gz GVYHBJXGOJDRES-BNICSPFPSA-N 0 3 318.848 3.027 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@@H]21 ZINC001223085568 1095863118 /nfs/dbraw/zinc/86/31/18/1095863118.db2.gz IYCXYIFBVARJMJ-SJORKVTESA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001091311467 1095894941 /nfs/dbraw/zinc/89/49/41/1095894941.db2.gz ORRROQDVNHOLEA-UHFFFAOYSA-N 0 3 323.849 3.080 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(N4CCCCC4)o3)CCC2S1 ZINC001138173195 1095913068 /nfs/dbraw/zinc/91/30/68/1095913068.db2.gz IALKHJFUDYBQOO-HNNXBMFYSA-N 0 3 318.442 3.044 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001091384610 1095925339 /nfs/dbraw/zinc/92/53/39/1095925339.db2.gz ODZRLMMNLKGXDG-UHFFFAOYSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001223311395 1095932913 /nfs/dbraw/zinc/93/29/13/1095932913.db2.gz GCGZIVSICVMSKH-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CCC(=O)NCC1CCN(Cc2scnc2C)CC1 ZINC001223352517 1095945979 /nfs/dbraw/zinc/94/59/79/1095945979.db2.gz FRVSRBUCGWWMRD-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN CC[C@H](CC#N)N1CCN[C@H](c2cccc(Br)c2)C1 ZINC001246807847 1095994580 /nfs/dbraw/zinc/99/45/80/1095994580.db2.gz UBCFGMQMKLLMTC-CABCVRRESA-N 0 3 322.250 3.088 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC001276901482 1096004521 /nfs/dbraw/zinc/00/45/21/1096004521.db2.gz UPBVXESBIYITJS-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](CC)c3ccccc3)C[C@@H]21 ZINC001223903470 1096093061 /nfs/dbraw/zinc/09/30/61/1096093061.db2.gz BOSRQQTWHZMPSD-RLLQIKCJSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC001118884594 1096098989 /nfs/dbraw/zinc/09/89/89/1096098989.db2.gz KMTWGVAMCGAEHO-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224014246 1096116259 /nfs/dbraw/zinc/11/62/59/1096116259.db2.gz SIFFZYUCQRJIDD-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224041248 1096122064 /nfs/dbraw/zinc/12/20/64/1096122064.db2.gz CHOUQZJZCNGXTI-UHFFFAOYSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224187480 1096156645 /nfs/dbraw/zinc/15/66/45/1096156645.db2.gz QNYPULSZAYWUEM-ZDUSSCGKSA-N 0 3 320.399 3.369 20 30 DGEDHN CC(C)CC[C@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001341353860 1096162014 /nfs/dbraw/zinc/16/20/14/1096162014.db2.gz WTYBVEXLGGVOAP-SFHVURJKSA-N 0 3 313.445 3.028 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001147158414 1096176015 /nfs/dbraw/zinc/17/60/15/1096176015.db2.gz ACNKDGMTWWVWHJ-JXMROGBWSA-N 0 3 310.441 3.200 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN([C@H](C)c1ccccc1F)C2 ZINC001147188249 1096179706 /nfs/dbraw/zinc/17/97/06/1096179706.db2.gz VWQWWBUCXFDPAY-OAHLLOKOSA-N 0 3 316.420 3.387 20 30 DGEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1ccc(C)o1 ZINC001119387810 1096185452 /nfs/dbraw/zinc/18/54/52/1096185452.db2.gz GTWDEKTVOUEFIW-GJZGRUSLSA-N 0 3 305.422 3.299 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CCN(Cc3ccsc3)CC2)C1 ZINC001224476458 1096221072 /nfs/dbraw/zinc/22/10/72/1096221072.db2.gz FPFVPCNNFNHTAO-UHFFFAOYSA-N 0 3 318.486 3.433 20 30 DGEDHN CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC001224497805 1096225432 /nfs/dbraw/zinc/22/54/32/1096225432.db2.gz GZYALEQZZDMKAD-IAGOWNOFSA-N 0 3 317.408 3.014 20 30 DGEDHN CC[C@@H](CC(=O)NCCNCc1ccc(C#N)s1)C(C)(C)C ZINC001147473884 1096226815 /nfs/dbraw/zinc/22/68/15/1096226815.db2.gz CFMCNKFXBMMUCN-ZDUSSCGKSA-N 0 3 321.490 3.288 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(OCC#N)c1 ZINC001119677579 1096243746 /nfs/dbraw/zinc/24/37/46/1096243746.db2.gz JELOSKLJWMKCRZ-UHFFFAOYSA-N 0 3 305.381 3.367 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1ccc(C)s1 ZINC001276985721 1096247748 /nfs/dbraw/zinc/24/77/48/1096247748.db2.gz HYCOZJSUEJOJAO-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001224624730 1096248719 /nfs/dbraw/zinc/24/87/19/1096248719.db2.gz DZVYJZHDMMHLER-KRWDZBQOSA-N 0 3 304.478 3.220 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001224651162 1096256950 /nfs/dbraw/zinc/25/69/50/1096256950.db2.gz JSGDAUAGLVVRST-INIZCTEOSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CC2CCCC2)C(C)C)CC1 ZINC001224730418 1096274116 /nfs/dbraw/zinc/27/41/16/1096274116.db2.gz FUGQNRAXSLYINW-LJQANCHMSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC001225155302 1096356043 /nfs/dbraw/zinc/35/60/43/1096356043.db2.gz SJODCYWHFXPDNX-HNNXBMFYSA-N 0 3 318.486 3.012 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC001225155304 1096356110 /nfs/dbraw/zinc/35/61/10/1096356110.db2.gz SJODCYWHFXPDNX-OAHLLOKOSA-N 0 3 318.486 3.012 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001225163223 1096357119 /nfs/dbraw/zinc/35/71/19/1096357119.db2.gz VOTACMDFWOYMSO-SFHVURJKSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001225308253 1096392227 /nfs/dbraw/zinc/39/22/27/1096392227.db2.gz WHLUHYKTHLBART-VXGBXAGGSA-N 0 3 305.249 3.289 20 30 DGEDHN CCCCCCCCC(=O)NCCNCc1cccnc1C ZINC001148727498 1096431419 /nfs/dbraw/zinc/43/14/19/1096431419.db2.gz ATDIPGXJQQNPBX-UHFFFAOYSA-N 0 3 305.466 3.346 20 30 DGEDHN CCCCCCCCC(=O)NCCNCc1cncc(C)c1 ZINC001148728149 1096431604 /nfs/dbraw/zinc/43/16/04/1096431604.db2.gz XTIOYJJDUDFMRO-UHFFFAOYSA-N 0 3 305.466 3.346 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2(CC)CCCCC2)CC1 ZINC001225551190 1096465344 /nfs/dbraw/zinc/46/53/44/1096465344.db2.gz IUKKXIBKELLTTM-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001225603852 1096480540 /nfs/dbraw/zinc/48/05/40/1096480540.db2.gz NCVOSHXYHJPSGU-GOSISDBHSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cccs3)C2)CC1 ZINC001086901096 1096499974 /nfs/dbraw/zinc/49/99/74/1096499974.db2.gz YUDHDTRAKHWZBU-OAHLLOKOSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3(C)CCCC3)C2)CC1 ZINC001086921091 1096509083 /nfs/dbraw/zinc/50/90/83/1096509083.db2.gz HMFCTUCOHCKYKN-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCC3CCC3)C2)CC1 ZINC001086915100 1096512496 /nfs/dbraw/zinc/51/24/96/1096512496.db2.gz ZTPHMMUHRZLACT-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(C=C)cc3)C2)CC1 ZINC001086944375 1096517702 /nfs/dbraw/zinc/51/77/02/1096517702.db2.gz XIRKGLJSASECHJ-KRWDZBQOSA-N 0 3 322.452 3.279 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C)cc3)C2)CC1 ZINC001086954193 1096521736 /nfs/dbraw/zinc/52/17/36/1096521736.db2.gz FHRRJKIXLBMQLC-GOSISDBHSA-N 0 3 324.468 3.335 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C)C3CCCCC3)C[C@]2(C)C1 ZINC001092092802 1096575770 /nfs/dbraw/zinc/57/57/70/1096575770.db2.gz FYPQQAOVXAHTEP-HQRMLTQVSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc(C(C)C)c3)C[C@]2(C)C1 ZINC001092168256 1096579171 /nfs/dbraw/zinc/57/91/71/1096579171.db2.gz PHKZKKGGEVBTLN-CTNGQTDRSA-N 0 3 324.468 3.227 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001092200314 1096583814 /nfs/dbraw/zinc/58/38/14/1096583814.db2.gz IRKYLIWRSZKKOU-QKLQHJQFSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001110130235 1096595160 /nfs/dbraw/zinc/59/51/60/1096595160.db2.gz YSNQBSKNFAQKHE-YRXWBPOGSA-N 0 3 312.457 3.163 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2cc(C)sc2C)CC1 ZINC001226518119 1096711058 /nfs/dbraw/zinc/71/10/58/1096711058.db2.gz CFPNZQLOWNGECG-UHFFFAOYSA-N 0 3 306.475 3.412 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCCCC(C)(C)C)C1 ZINC001149763272 1096712720 /nfs/dbraw/zinc/71/27/20/1096712720.db2.gz IVKQKPSUIDSOEP-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226533297 1096715808 /nfs/dbraw/zinc/71/58/08/1096715808.db2.gz UREQLPZAUGTBON-WOJBJXKFSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CCCCCCN1CC2(C[C@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001277151213 1096761993 /nfs/dbraw/zinc/76/19/93/1096761993.db2.gz DOJCOZDLPLIXRU-INIZCTEOSA-N 0 3 320.452 3.015 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccc(F)cc2)CC1 ZINC001277165367 1096812494 /nfs/dbraw/zinc/81/24/94/1096812494.db2.gz YSLNISCPTHVHKA-QGZVFWFLSA-N 0 3 304.409 3.166 20 30 DGEDHN C#CCCCCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001226952355 1096825780 /nfs/dbraw/zinc/82/57/80/1096825780.db2.gz ZECXYDIUKADFLA-FMIVXFBMSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001227084891 1096864179 /nfs/dbraw/zinc/86/41/79/1096864179.db2.gz NREADBZFDWTXJA-UHFFFAOYSA-N 0 3 316.420 3.040 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC001171488969 1096896720 /nfs/dbraw/zinc/89/67/20/1096896720.db2.gz BGXLBYBXUGFDRS-UTKZUKDTSA-N 0 3 324.468 3.298 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001171913636 1096999964 /nfs/dbraw/zinc/99/99/64/1096999964.db2.gz ROSZRNJFYIBVRB-UHFFFAOYSA-N 0 3 324.896 3.441 20 30 DGEDHN C#CCCCC(=O)N1CCC([C@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001277276244 1097063514 /nfs/dbraw/zinc/06/35/14/1097063514.db2.gz XDBOJPHOFWJNIP-KRWDZBQOSA-N 0 3 322.880 3.103 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCOC[C@H]1Cc1ccccc1 ZINC001172312194 1097097879 /nfs/dbraw/zinc/09/78/79/1097097879.db2.gz FPMQVODKSGUHTR-DYESRHJHSA-N 0 3 320.436 3.433 20 30 DGEDHN O=C1C=C[C@H](Oc2ccc(CN3CCCCC3)c3cccnc23)C1 ZINC001228374795 1097108211 /nfs/dbraw/zinc/10/82/11/1097108211.db2.gz QCUCCTYRMFMLHK-KRWDZBQOSA-N 0 3 322.408 3.497 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001228479055 1097127788 /nfs/dbraw/zinc/12/77/88/1097127788.db2.gz LDIWTHDKGXVJCN-OAHLLOKOSA-N 0 3 303.450 3.018 20 30 DGEDHN C[C@H](CCCC#N)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001172495097 1097169034 /nfs/dbraw/zinc/16/90/34/1097169034.db2.gz BKKDXOCGIGNWSX-KFWWJZLASA-N 0 3 309.454 3.398 20 30 DGEDHN C[C@@H](CCCC#N)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001172497882 1097171180 /nfs/dbraw/zinc/17/11/80/1097171180.db2.gz HFBMVHACXMEYHX-RRFJBIMHSA-N 0 3 309.454 3.398 20 30 DGEDHN CO[C@@H](CN1CCN([C@@H](C)CCCC#N)CC1)c1ccccc1 ZINC001172498302 1097171426 /nfs/dbraw/zinc/17/14/26/1097171426.db2.gz LHWATKIKWQNCIH-HKUYNNGSSA-N 0 3 315.461 3.074 20 30 DGEDHN C[C@@H](CCCC#N)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172499214 1097172033 /nfs/dbraw/zinc/17/20/33/1097172033.db2.gz BZZADWXUGFDKIQ-SOUVJXGZSA-N 0 3 309.454 3.398 20 30 DGEDHN C[C@H](CCCC#N)N1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001172506841 1097174389 /nfs/dbraw/zinc/17/43/89/1097174389.db2.gz KJLWLJJOGCMIKJ-MNOVXSKESA-N 0 3 316.327 3.350 20 30 DGEDHN COc1ccc(N2CCN([C@H](C)CCCC#N)CC2)c(C)c1 ZINC001172510202 1097175165 /nfs/dbraw/zinc/17/51/65/1097175165.db2.gz XGCLCMFHGPGECJ-MRXNPFEDSA-N 0 3 301.434 3.208 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccc1 ZINC001277351024 1097242149 /nfs/dbraw/zinc/24/21/49/1097242149.db2.gz CUCYTWYVQXPWLQ-MOPGFXCFSA-N 0 3 312.457 3.261 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccsc2)C[C@H]1C#N ZINC001172966514 1097293790 /nfs/dbraw/zinc/29/37/90/1097293790.db2.gz CFJNYPMLDBDWCQ-KGLIPLIRSA-N 0 3 321.446 3.129 20 30 DGEDHN C=CCCNC(=S)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001277399876 1097347142 /nfs/dbraw/zinc/34/71/42/1097347142.db2.gz VHVVHZBFLMXYBG-MRXNPFEDSA-N 0 3 323.550 3.414 20 30 DGEDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(C#N)cc2C1 ZINC001173220805 1097371970 /nfs/dbraw/zinc/37/19/70/1097371970.db2.gz CQFXLHCJZZHTIN-CQSZACIVSA-N 0 3 321.380 3.456 20 30 DGEDHN CCCCCCCNC(=S)N1CC2(C1)CN(C1CCCC1)C2 ZINC001277428360 1097406310 /nfs/dbraw/zinc/40/63/10/1097406310.db2.gz UWKKRSAJNWCJSJ-UHFFFAOYSA-N 0 3 323.550 3.392 20 30 DGEDHN N#CCC1CCC(N2CCN(c3noc4ccccc43)CC2)CC1 ZINC001173329744 1097418711 /nfs/dbraw/zinc/41/87/11/1097418711.db2.gz AOQUHZKPSSENNL-UHFFFAOYSA-N 0 3 324.428 3.422 20 30 DGEDHN C[C@@H]1CN(C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173330868 1097419331 /nfs/dbraw/zinc/41/93/31/1097419331.db2.gz GLYWRJLVLYKDDC-QQFBHYJXSA-N 0 3 321.465 3.400 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccccc1F)C2 ZINC001203347286 1097455451 /nfs/dbraw/zinc/45/54/51/1097455451.db2.gz BXUNLEOFDOYYOQ-RTBURBONSA-N 0 3 319.420 3.399 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230587932 1097521855 /nfs/dbraw/zinc/52/18/55/1097521855.db2.gz ZOEJGHPBWMXPNG-OAHLLOKOSA-N 0 3 316.848 3.192 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C1=CCCC1)Cc1cccnc1 ZINC001230732032 1097568835 /nfs/dbraw/zinc/56/88/35/1097568835.db2.gz WADWRNBYCZACMF-UHFFFAOYSA-N 0 3 313.445 3.076 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230769224 1097578368 /nfs/dbraw/zinc/57/83/68/1097578368.db2.gz FVGJDKUTRQSWQV-UHFFFAOYSA-N 0 3 315.461 3.178 20 30 DGEDHN C=CCc1cccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001231015923 1097646845 /nfs/dbraw/zinc/64/68/45/1097646845.db2.gz UGIXZUDUXNYXDI-IYARVYRRSA-N 0 3 301.430 3.437 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231084442 1097665236 /nfs/dbraw/zinc/66/52/36/1097665236.db2.gz BBOUZVYVNFVUJU-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001231170370 1097686829 /nfs/dbraw/zinc/68/68/29/1097686829.db2.gz PBUPXUSDUFSBFR-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN Cc1cnccc1Nc1ccc(Br)c(F)c1C#N ZINC001174538733 1097748557 /nfs/dbraw/zinc/74/85/57/1097748557.db2.gz OBXVPSRVCKVXBJ-UHFFFAOYSA-N 0 3 306.138 3.329 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@H](CC(=O)OCC)C2)c1 ZINC001231620933 1097792695 /nfs/dbraw/zinc/79/26/95/1097792695.db2.gz IOHFEEYGEMRZMI-KRWDZBQOSA-N 0 3 317.429 3.417 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)CCN(C)Cc1ccccc1 ZINC001231621477 1097792793 /nfs/dbraw/zinc/79/27/93/1097792793.db2.gz ZHPLMVSRHLILQD-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001174672750 1097795975 /nfs/dbraw/zinc/79/59/75/1097795975.db2.gz PZQGULSDBFTEJI-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001231658561 1097804842 /nfs/dbraw/zinc/80/48/42/1097804842.db2.gz ZENPGZMJEUXIAQ-BBRMVZONSA-N 0 3 311.347 3.193 20 30 DGEDHN C#Cc1cccc(CN2CC[C@@H](Oc3ccccc3OC)C2)c1 ZINC001231659002 1097806507 /nfs/dbraw/zinc/80/65/07/1097806507.db2.gz CVBLCPLRYBRAOD-GOSISDBHSA-N 0 3 307.393 3.330 20 30 DGEDHN C#Cc1cccc(CN(CCC(=O)OC)Cc2ccccc2)c1 ZINC001231659311 1097806578 /nfs/dbraw/zinc/80/65/78/1097806578.db2.gz IUYZHCREKNNSHQ-UHFFFAOYSA-N 0 3 307.393 3.233 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@H](Oc3cccc(C)n3)C2)c1 ZINC001231662204 1097808202 /nfs/dbraw/zinc/80/82/02/1097808202.db2.gz BVELUGSWPLZNNY-IBGZPJMESA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@H](Oc3ccc(OC)cn3)C2)c1 ZINC001231663162 1097808826 /nfs/dbraw/zinc/80/88/26/1097808826.db2.gz KJUAFAOFTCHBLE-IBGZPJMESA-N 0 3 322.408 3.115 20 30 DGEDHN C#Cc1cccc(CN2CCC(Oc3cccc(C)n3)CC2)c1 ZINC001231664563 1097809834 /nfs/dbraw/zinc/80/98/34/1097809834.db2.gz SDGKWONJGSOFDK-UHFFFAOYSA-N 0 3 306.409 3.415 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC001231817707 1097854648 /nfs/dbraw/zinc/85/46/48/1097854648.db2.gz MJPHQNBXBFRLTJ-AWEZNQCLSA-N 0 3 311.351 3.421 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001174978783 1097896574 /nfs/dbraw/zinc/89/65/74/1097896574.db2.gz PZNGNBZBJGNDPK-AWEZNQCLSA-N 0 3 307.438 3.104 20 30 DGEDHN Cc1cccc(C(=O)NCCCNCc2ccccc2C#N)c1C ZINC001175071537 1097938218 /nfs/dbraw/zinc/93/82/18/1097938218.db2.gz QXQWVJCXMPAWFS-UHFFFAOYSA-N 0 3 321.424 3.085 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001175081472 1097940989 /nfs/dbraw/zinc/94/09/89/1097940989.db2.gz GXTWECZRTVLVCR-KBXCAEBGSA-N 0 3 321.465 3.350 20 30 DGEDHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)c(Cl)c1)C2 ZINC001232114903 1097942384 /nfs/dbraw/zinc/94/23/84/1097942384.db2.gz ZEAIOQOMHBEDMP-WBVHZDCISA-N 0 3 304.821 3.460 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)o3)CCC2S1 ZINC001232440887 1098038172 /nfs/dbraw/zinc/03/81/72/1098038172.db2.gz YCISVHSWUISGAQ-SNVBAGLBSA-N 0 3 303.305 3.073 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)o3)CCC2S1 ZINC001232440885 1098039170 /nfs/dbraw/zinc/03/91/70/1098039170.db2.gz YCISVHSWUISGAQ-JTQLQIEISA-N 0 3 303.305 3.073 20 30 DGEDHN C[C@@H]1CN(Cc2cc(C#N)ccn2)[C@@H](C)CN1Cc1ccccc1 ZINC001232474924 1098051133 /nfs/dbraw/zinc/05/11/33/1098051133.db2.gz JSJIFGAMNWMTBP-SJORKVTESA-N 0 3 320.440 3.048 20 30 DGEDHN C[C@H]1CN(Cc2cc(C#N)ccn2)CC[C@@]1(C)c1cccc(O)c1 ZINC001232479321 1098052882 /nfs/dbraw/zinc/05/28/82/1098052882.db2.gz QEGGNNMLUWELLW-MGPUTAFESA-N 0 3 321.424 3.459 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001175469234 1098055166 /nfs/dbraw/zinc/05/51/66/1098055166.db2.gz OQLPBCJQEOLZPG-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)COc1ccccc1C(C)C ZINC001175507045 1098077795 /nfs/dbraw/zinc/07/77/95/1098077795.db2.gz AREOLKCEZBYKTK-UHFFFAOYSA-N 0 3 324.852 3.037 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2c(Cl)c3ccccc3n(C)c2=O)C1 ZINC001232644237 1098106028 /nfs/dbraw/zinc/10/60/28/1098106028.db2.gz VVNAXFCITGICAB-CYBMUJFWSA-N 0 3 314.816 3.037 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC001232844973 1098151464 /nfs/dbraw/zinc/15/14/64/1098151464.db2.gz GYMLEXFKTDHHJZ-VQIMIIECSA-N 0 3 323.465 3.326 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2nc(C)c(C)s2)C[C@@H]1C ZINC001277723831 1098151702 /nfs/dbraw/zinc/15/17/02/1098151702.db2.gz WDNTULUJOUGHNL-WFASDCNBSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)cc(O)c1)C2 ZINC001232881886 1098160819 /nfs/dbraw/zinc/16/08/19/1098160819.db2.gz QGJBMPLJYFYAAI-RBUKOAKNSA-N 0 3 317.429 3.027 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cc3)cc2)CC1 ZINC001175782904 1098170119 /nfs/dbraw/zinc/17/01/19/1098170119.db2.gz YAHASHJCAXVCDJ-UHFFFAOYSA-N 0 3 306.413 3.444 20 30 DGEDHN C=CCCCN1CCc2nc(C(=O)N(CC)C(C)C)ccc2C1 ZINC001277780026 1098255814 /nfs/dbraw/zinc/25/58/14/1098255814.db2.gz YZGVUADIHQYBPB-UHFFFAOYSA-N 0 3 315.461 3.276 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233293919 1098278965 /nfs/dbraw/zinc/27/89/65/1098278965.db2.gz OCFHNGPFUBJKLW-UHFFFAOYSA-N 0 3 319.364 3.150 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001150586988 1098332501 /nfs/dbraw/zinc/33/25/01/1098332501.db2.gz DJSONWPIKPGNBJ-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN N#CC=C([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001233518233 1098360071 /nfs/dbraw/zinc/36/00/71/1098360071.db2.gz MPLDRVNSQAWAFV-IBGZPJMESA-N 0 3 320.392 3.436 20 30 DGEDHN N#CC=C([O-])c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001233518233 1098360078 /nfs/dbraw/zinc/36/00/78/1098360078.db2.gz MPLDRVNSQAWAFV-IBGZPJMESA-N 0 3 320.392 3.436 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccc(F)c(C#N)c3)c2)CC1 ZINC001176617842 1098393505 /nfs/dbraw/zinc/39/35/05/1098393505.db2.gz QDZMHDATBQSCAN-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)COC(C)(C)C ZINC001233772285 1098428348 /nfs/dbraw/zinc/42/83/48/1098428348.db2.gz ZSKJWIQVWIRSLQ-INIZCTEOSA-N 0 3 310.482 3.081 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1 ZINC001233801598 1098434399 /nfs/dbraw/zinc/43/43/99/1098434399.db2.gz QZXMVKPKVBSGHV-IEBWSBKVSA-N 0 3 312.457 3.474 20 30 DGEDHN C#C[C@@H]1CCCCN1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001176832736 1098441952 /nfs/dbraw/zinc/44/19/52/1098441952.db2.gz GVVLVXWEQWHBPP-CABCVRRESA-N 0 3 311.347 3.097 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/c1ccccc1 ZINC001233947313 1098465085 /nfs/dbraw/zinc/46/50/85/1098465085.db2.gz KCXUEXOVWWWLAF-SQSZOCELSA-N 0 3 324.468 3.426 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1c(C)cccc1C ZINC001233957131 1098466690 /nfs/dbraw/zinc/46/66/90/1098466690.db2.gz JAXNFQKLBFMZJY-SFHVURJKSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC1(OC)CCC1 ZINC001233958693 1098466815 /nfs/dbraw/zinc/46/68/15/1098466815.db2.gz VBHAIXIKXWROTR-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN C#Cc1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)nc1 ZINC001233966087 1098468528 /nfs/dbraw/zinc/46/85/28/1098468528.db2.gz QIGPFEMDQZNNCS-KXTWHKPSSA-N 0 3 318.420 3.352 20 30 DGEDHN N#Cc1cc([O-])cc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001234139690 1098502654 /nfs/dbraw/zinc/50/26/54/1098502654.db2.gz JSVSQZCCMMVQKO-SFHVURJKSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1cc([O-])cc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001234139690 1098502657 /nfs/dbraw/zinc/50/26/57/1098502657.db2.gz JSVSQZCCMMVQKO-SFHVURJKSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1cc([O-])cc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001234143511 1098503985 /nfs/dbraw/zinc/50/39/85/1098503985.db2.gz CXOANDNEFPAPLL-UHFFFAOYSA-N 0 3 322.408 3.350 20 30 DGEDHN CC1=CC(=O)C[C@@H](c2ccc(O[C@@H]3CN4CCC3CC4)cc2)O1 ZINC001234159108 1098506482 /nfs/dbraw/zinc/50/64/82/1098506482.db2.gz LUHNNKYTRXSLAQ-RBUKOAKNSA-N 0 3 313.397 3.094 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCCCCC ZINC001234277198 1098526764 /nfs/dbraw/zinc/52/67/64/1098526764.db2.gz XHVSZYGMIKSPIM-MSOLQXFVSA-N 0 3 324.509 3.471 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)c1ccccc1C ZINC001177473608 1098535956 /nfs/dbraw/zinc/53/59/56/1098535956.db2.gz YMTIRAUJMVGOIP-UHFFFAOYSA-N 0 3 308.853 3.121 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234332967 1098538106 /nfs/dbraw/zinc/53/81/06/1098538106.db2.gz IDZFKRIDSKEPHE-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN CCN1CCC[C@H](Oc2ccc(/C=C\C(C)=O)cc2OC)C1 ZINC001234339781 1098539683 /nfs/dbraw/zinc/53/96/83/1098539683.db2.gz RAFQLORJWOCSSP-PTZVLDCSSA-N 0 3 303.402 3.161 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234357430 1098542405 /nfs/dbraw/zinc/54/24/05/1098542405.db2.gz QZBJJEOGFWMZLM-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CC[C@@H](C)F ZINC001234554083 1098598969 /nfs/dbraw/zinc/59/89/69/1098598969.db2.gz DQBVLDLJTLFTPD-YPMHNXCESA-N 0 3 304.837 3.046 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001234605067 1098616347 /nfs/dbraw/zinc/61/63/47/1098616347.db2.gz ZEYUBAADFSDSDM-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CC[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccncc1 ZINC001177884232 1098634703 /nfs/dbraw/zinc/63/47/03/1098634703.db2.gz BUUDADROAVKWOC-UTKZUKDTSA-N 0 3 300.427 3.226 20 30 DGEDHN C=CC[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccncc1 ZINC001177884229 1098635008 /nfs/dbraw/zinc/63/50/08/1098635008.db2.gz BUUDADROAVKWOC-DYESRHJHSA-N 0 3 300.427 3.226 20 30 DGEDHN C#CCCCCC(=O)NCCCCCCNCc1nccs1 ZINC001178253863 1098757542 /nfs/dbraw/zinc/75/75/42/1098757542.db2.gz LZEQLADERODXCL-UHFFFAOYSA-N 0 3 321.490 3.103 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001235068917 1098782296 /nfs/dbraw/zinc/78/22/96/1098782296.db2.gz AMEPLOPSVKCKST-KGLIPLIRSA-N 0 3 321.490 3.207 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001178482793 1098847773 /nfs/dbraw/zinc/84/77/73/1098847773.db2.gz LKRRVFPRMDUCAA-QGZVFWFLSA-N 0 3 319.408 3.070 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)[C@@H]1C ZINC001178587298 1098866292 /nfs/dbraw/zinc/86/62/92/1098866292.db2.gz GUVGLRCNOOCREQ-MPGHIAIKSA-N 0 3 316.420 3.269 20 30 DGEDHN CC/C(C)=C\C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178658848 1098897712 /nfs/dbraw/zinc/89/77/12/1098897712.db2.gz AMZHZZKUHFOZTM-UFDVIRIBSA-N 0 3 317.458 3.055 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cnc(C)o1 ZINC001235303550 1098950453 /nfs/dbraw/zinc/95/04/53/1098950453.db2.gz MCTIKEWRSRKGRA-INIZCTEOSA-N 0 3 321.465 3.029 20 30 DGEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)cc(C)c1OCCO ZINC001235370932 1098983359 /nfs/dbraw/zinc/98/33/59/1098983359.db2.gz ZLQLPFPFARQKDA-UHFFFAOYSA-N 0 3 324.424 3.178 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001235375562 1098985954 /nfs/dbraw/zinc/98/59/54/1098985954.db2.gz LALSXJATJRVFBG-INIZCTEOSA-N 0 3 303.450 3.011 20 30 DGEDHN C=CCCC(=O)NCCCN(C)Cc1ccc(Cl)s1 ZINC001235436686 1099033615 /nfs/dbraw/zinc/03/36/15/1099033615.db2.gz PZKHJAYTECLFIA-UHFFFAOYSA-N 0 3 300.855 3.306 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179305947 1099057589 /nfs/dbraw/zinc/05/75/89/1099057589.db2.gz ACDJHORASGCBDX-ZBFHGGJFSA-N 0 3 321.465 3.207 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001235492269 1099064102 /nfs/dbraw/zinc/06/41/02/1099064102.db2.gz STWOCTPCZMAMCM-KURKYZTESA-N 0 3 322.493 3.081 20 30 DGEDHN CCCC[C@H](CC)CN1CCO[C@H]2CN(CCCCC#N)C[C@@H]21 ZINC001277949309 1099064665 /nfs/dbraw/zinc/06/46/65/1099064665.db2.gz VRHJSXVTWDRTKY-FHWLQOOXSA-N 0 3 321.509 3.282 20 30 DGEDHN COc1ccccc1O[C@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235523180 1099071021 /nfs/dbraw/zinc/07/10/21/1099071021.db2.gz MJFDQYBSKFIHDW-SFHVURJKSA-N 0 3 322.408 3.415 20 30 DGEDHN COc1ccccc1O[C@@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235523179 1099073019 /nfs/dbraw/zinc/07/30/19/1099073019.db2.gz MJFDQYBSKFIHDW-GOSISDBHSA-N 0 3 322.408 3.415 20 30 DGEDHN Cc1ccnc(O[C@@H]2CCCN(Cc3ccccc3CC#N)C2)c1 ZINC001235526441 1099073629 /nfs/dbraw/zinc/07/36/29/1099073629.db2.gz DFMFWLTUFDNPHD-LJQANCHMSA-N 0 3 321.424 3.500 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN(Cc3ccccc3CC#N)C2)nc1 ZINC001235526162 1099074363 /nfs/dbraw/zinc/07/43/63/1099074363.db2.gz BCTDRMWJTCNZEL-GOSISDBHSA-N 0 3 307.397 3.109 20 30 DGEDHN Cc1ccnc(O[C@H]2CCCN(Cc3ccccc3CC#N)C2)c1 ZINC001235526438 1099075659 /nfs/dbraw/zinc/07/56/59/1099075659.db2.gz DFMFWLTUFDNPHD-IBGZPJMESA-N 0 3 321.424 3.500 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179334962 1099076233 /nfs/dbraw/zinc/07/62/33/1099076233.db2.gz CQXMSZYMJYLXTK-HNNXBMFYSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCCCC(=O)NCCCCCCNCc1ccn(CC)n1 ZINC001179426387 1099102709 /nfs/dbraw/zinc/10/27/09/1099102709.db2.gz YEURWRSRNAVYTR-UHFFFAOYSA-N 0 3 320.481 3.026 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001179451712 1099103708 /nfs/dbraw/zinc/10/37/08/1099103708.db2.gz DQPXMTVALVQIGA-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001235682315 1099124430 /nfs/dbraw/zinc/12/44/30/1099124430.db2.gz CFIDOSNBJQPWEQ-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC001235741819 1099157828 /nfs/dbraw/zinc/15/78/28/1099157828.db2.gz JPNJYUFTHQOZSF-DUMMIQTOSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC001235741821 1099158825 /nfs/dbraw/zinc/15/88/25/1099158825.db2.gz JPNJYUFTHQOZSF-QWNKOJSDSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C\c1ccccc1F ZINC001235799768 1099185977 /nfs/dbraw/zinc/18/59/77/1099185977.db2.gz WXXUIHXIQFTJBL-KMDWOBIYSA-N 0 3 316.420 3.338 20 30 DGEDHN Cc1cnc(-c2cccc(CN3CCCCC3)c2F)c(C#N)n1 ZINC001236004429 1099324852 /nfs/dbraw/zinc/32/48/52/1099324852.db2.gz IAZDERXKCKVXPE-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN Cc1nc(C#N)cnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236245692 1099498809 /nfs/dbraw/zinc/49/88/09/1099498809.db2.gz VNTDBJDTYZKBJC-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)OCCCCCC)[C@@H]2C1 ZINC001187912025 1099627917 /nfs/dbraw/zinc/62/79/17/1099627917.db2.gz RBTVWHJNWZWZTH-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001188885037 1099882593 /nfs/dbraw/zinc/88/25/93/1099882593.db2.gz NGGVJKRJJSPRFE-YTQUADARSA-N 0 3 312.457 3.322 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)C[C@H](C)NCC#CC)c1ccccc1 ZINC001278034228 1099892678 /nfs/dbraw/zinc/89/26/78/1099892678.db2.gz LPAKWPURLZAALE-PKOBYXMFSA-N 0 3 312.457 3.196 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001189269902 1100014117 /nfs/dbraw/zinc/01/41/17/1100014117.db2.gz MNVXMPPIHPJPDS-WMLDXEAASA-N 0 3 304.409 3.386 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc(C)c(OC)c2)C1 ZINC001189318754 1100022536 /nfs/dbraw/zinc/02/25/36/1100022536.db2.gz OTLZIFCHCZTKQU-KRWDZBQOSA-N 0 3 316.445 3.003 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCc2c(F)cccc2F)C1 ZINC001189319401 1100023515 /nfs/dbraw/zinc/02/35/15/1100023515.db2.gz YSHHRCOUQQHXGB-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCCOc2ccccc2)CC1 ZINC001278088455 1100095503 /nfs/dbraw/zinc/09/55/03/1100095503.db2.gz SZFVMEDKHDKGJY-UHFFFAOYSA-N 0 3 316.445 3.002 20 30 DGEDHN CN(Cc1cn(C)c2ccc(C#N)cc12)Cc1cccc(O)c1 ZINC001237464494 1100131593 /nfs/dbraw/zinc/13/15/93/1100131593.db2.gz DXLZUYJFFGAZAR-UHFFFAOYSA-N 0 3 305.381 3.388 20 30 DGEDHN Cn1cc(CN2CCC3(CCOC3)CC2)c2cc(C#N)ccc21 ZINC001237464618 1100132333 /nfs/dbraw/zinc/13/23/33/1100132333.db2.gz FRJSAXFIGPKZKM-UHFFFAOYSA-N 0 3 309.413 3.052 20 30 DGEDHN C#CC1CCN(Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001237501764 1100150011 /nfs/dbraw/zinc/15/00/11/1100150011.db2.gz UKUSMJCQQZRPDX-UHFFFAOYSA-N 0 3 300.789 3.439 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2cc(C)sc2C)C1 ZINC001189925958 1100152439 /nfs/dbraw/zinc/15/24/39/1100152439.db2.gz ITGDAMYDQYNXNJ-QGZVFWFLSA-N 0 3 318.486 3.201 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C1 ZINC001190179177 1100218021 /nfs/dbraw/zinc/21/80/21/1100218021.db2.gz ZFHAQTVNGGWOOC-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN CC(=O)N1CC[C@@H](N(Cc2cc(Cl)cc(C#N)c2)C(C)C)C1 ZINC001237753944 1100238717 /nfs/dbraw/zinc/23/87/17/1100238717.db2.gz QEAJNJWXBNNRRX-QGZVFWFLSA-N 0 3 319.836 3.043 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N(C)CCOCCCC)C1 ZINC001190327073 1100246190 /nfs/dbraw/zinc/24/61/90/1100246190.db2.gz AAUUTLGURWCBBB-SFHVURJKSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001190398453 1100259851 /nfs/dbraw/zinc/25/98/51/1100259851.db2.gz WALAOEOPJXATAY-KRWDZBQOSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCc2ccccc2F)C1 ZINC001190429144 1100271937 /nfs/dbraw/zinc/27/19/37/1100271937.db2.gz VEVNQOJVULGQSK-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCc3ccc(C)s3)[C@@H]2C1 ZINC001190543889 1100291279 /nfs/dbraw/zinc/29/12/79/1100291279.db2.gz YOBJSJIRTQIAMS-DOTOQJQBSA-N 0 3 318.486 3.098 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C/C=C/c3ccc(C)cc3)[C@@H]2C1 ZINC001190550927 1100293288 /nfs/dbraw/zinc/29/32/88/1100293288.db2.gz LCGDIPXJVWKCIK-WWAPKCSDSA-N 0 3 310.441 3.117 20 30 DGEDHN CC[C@@H]1C[C@H]1CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001190760355 1100325672 /nfs/dbraw/zinc/32/56/72/1100325672.db2.gz HWHDHXAVDQMIJG-CVEARBPZSA-N 0 3 320.440 3.275 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001273606940 1100332387 /nfs/dbraw/zinc/33/23/87/1100332387.db2.gz GKXVSMPEOUGIJU-RTBURBONSA-N 0 3 316.489 3.459 20 30 DGEDHN CC(C)(C)CC(C)(C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001151938132 1100413579 /nfs/dbraw/zinc/41/35/79/1100413579.db2.gz BTRYNIFEKCSLDK-UHFFFAOYSA-N 0 3 315.461 3.226 20 30 DGEDHN CC(C)Oc1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001238439745 1100445731 /nfs/dbraw/zinc/44/57/31/1100445731.db2.gz AVBVOEDSZRYNOR-INIZCTEOSA-N 0 3 321.417 3.387 20 30 DGEDHN CC(C)Oc1cc(CN2CCC3SC(=O)C=C3C2)ccc1F ZINC001238456281 1100448900 /nfs/dbraw/zinc/44/89/00/1100448900.db2.gz FBPKEYLRSBWJPX-INIZCTEOSA-N 0 3 321.417 3.387 20 30 DGEDHN CN(Cc1cc(C#N)ccn1)[C@H]1CCCN(c2ccccc2)C1 ZINC001191417000 1100463463 /nfs/dbraw/zinc/46/34/63/1100463463.db2.gz LVZQIYZMRGBUAG-IBGZPJMESA-N 0 3 306.413 3.054 20 30 DGEDHN CCc1cc(CN2CC[C@H](Oc3ccc(C)cn3)C2)ccc1C#N ZINC001238773033 1100525911 /nfs/dbraw/zinc/52/59/11/1100525911.db2.gz TYNFGNSBFJLSJJ-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN CCc1cc(CN2CC[C@H](Oc3cccc(C)n3)C2)ccc1C#N ZINC001238772268 1100525950 /nfs/dbraw/zinc/52/59/50/1100525950.db2.gz NVNQCIUIAGVFSN-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(CC)c2)[C@@H]1C ZINC001238777733 1100527855 /nfs/dbraw/zinc/52/78/55/1100527855.db2.gz HEQKMSZCWJFTFE-KDOFPFPSSA-N 0 3 314.429 3.284 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191839362 1100532067 /nfs/dbraw/zinc/53/20/67/1100532067.db2.gz QLPIPZDJAFNPOC-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191839363 1100532205 /nfs/dbraw/zinc/53/22/05/1100532205.db2.gz QLPIPZDJAFNPOC-SFHVURJKSA-N 0 3 316.420 3.052 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001191912456 1100535320 /nfs/dbraw/zinc/53/53/20/1100535320.db2.gz OXVXKEHCDNVSIR-MSOLQXFVSA-N 0 3 324.509 3.184 20 30 DGEDHN N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(n1)CNCC2 ZINC001238840423 1100543661 /nfs/dbraw/zinc/54/36/61/1100543661.db2.gz UGHFIEIENVYUKB-UHFFFAOYSA-N 0 3 303.287 3.285 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H](N(C)CCOCCCC)C2)CC1 ZINC001192181598 1100587597 /nfs/dbraw/zinc/58/75/97/1100587597.db2.gz WHMIAVHTWRCAAK-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC001239283616 1100620890 /nfs/dbraw/zinc/62/08/90/1100620890.db2.gz OWIJXSUSWXOJSI-LSDHHAIUSA-N 0 3 315.461 3.347 20 30 DGEDHN N#Cc1ccc(/C=C/c2cncc([C@H]3CN4CCC3CC4)n2)cc1 ZINC001239292290 1100623440 /nfs/dbraw/zinc/62/34/40/1100623440.db2.gz QOBSDOXSDSPOJS-UEKDZROGSA-N 0 3 316.408 3.328 20 30 DGEDHN Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c(C)n1 ZINC001239451636 1100671523 /nfs/dbraw/zinc/67/15/23/1100671523.db2.gz RBVVVWXAFCJTHO-AWEZNQCLSA-N 0 3 324.384 3.104 20 30 DGEDHN Cc1cccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001239489133 1100676734 /nfs/dbraw/zinc/67/67/34/1100676734.db2.gz ZCXOVOIXZXIPGY-AWEZNQCLSA-N 0 3 309.369 3.401 20 30 DGEDHN Cc1cnc(C)c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001239900327 1100792339 /nfs/dbraw/zinc/79/23/39/1100792339.db2.gz BGUKFWISUQCHEY-CQSZACIVSA-N 0 3 324.384 3.104 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2sccc2C)C1 ZINC001193737153 1100795427 /nfs/dbraw/zinc/79/54/27/1100795427.db2.gz WLQNAPSSAZTLJZ-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCOC(=O)N1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001194300753 1100907594 /nfs/dbraw/zinc/90/75/94/1100907594.db2.gz OAIIZTRDGNWVEF-INIZCTEOSA-N 0 3 318.417 3.279 20 30 DGEDHN Cc1cc(CC#N)ccc1-c1cccc(CN2CCN(C)CC2)c1 ZINC001240298666 1100931306 /nfs/dbraw/zinc/93/13/06/1100931306.db2.gz HXZYXJXTDVUPGS-UHFFFAOYSA-N 0 3 319.452 3.476 20 30 DGEDHN COc1ncc(C2=CCCN(Cc3ccccc3)C2)cc1C#N ZINC001240386601 1100970870 /nfs/dbraw/zinc/97/08/70/1100970870.db2.gz DRIRPMZPMLZNKH-UHFFFAOYSA-N 0 3 305.381 3.251 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2occc2C)CC1 ZINC001194831646 1101019957 /nfs/dbraw/zinc/01/99/57/1101019957.db2.gz UTUYOUDITDNWQT-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cccc(C)n2)CC1 ZINC001194862773 1101025083 /nfs/dbraw/zinc/02/50/83/1101025083.db2.gz ASMZYSDUMDWBLC-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC001194913144 1101036541 /nfs/dbraw/zinc/03/65/41/1101036541.db2.gz RFWSUBCHQNJEIB-OAHLLOKOSA-N 0 3 300.512 3.243 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CCCCCC)CC1 ZINC001195126570 1101077652 /nfs/dbraw/zinc/07/76/52/1101077652.db2.gz XPSWUZUICHITJD-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2c(C)cccc2C)CC1 ZINC001195191824 1101087219 /nfs/dbraw/zinc/08/72/19/1101087219.db2.gz OHZJXYBRVGDCOY-UHFFFAOYSA-N 0 3 300.446 3.304 20 30 DGEDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2cccc(C#N)c2)C1 ZINC001195250032 1101104862 /nfs/dbraw/zinc/10/48/62/1101104862.db2.gz IWZJVRNKMKRHEC-WMLDXEAASA-N 0 3 314.429 3.358 20 30 DGEDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2cccc(C#N)c2)C1 ZINC001195250033 1101104914 /nfs/dbraw/zinc/10/49/14/1101104914.db2.gz IWZJVRNKMKRHEC-YOEHRIQHSA-N 0 3 314.429 3.358 20 30 DGEDHN C=CCOCCCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195452458 1101136732 /nfs/dbraw/zinc/13/67/32/1101136732.db2.gz MSOMGBPUBKJMML-UHFFFAOYSA-N 0 3 320.477 3.004 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2cc(C)cc(C)c2)CC1 ZINC001195645743 1101169375 /nfs/dbraw/zinc/16/93/75/1101169375.db2.gz ZEICVXFYHNJGCO-UHFFFAOYSA-N 0 3 312.457 3.141 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2coc(C)c2)CC1 ZINC001195605859 1101169477 /nfs/dbraw/zinc/16/94/77/1101169477.db2.gz VHTLKMPDQGKDDG-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001195675369 1101172506 /nfs/dbraw/zinc/17/25/06/1101172506.db2.gz WTTNKVNBZUNINT-UHFFFAOYSA-N 0 3 323.440 3.006 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195755131 1101188895 /nfs/dbraw/zinc/18/88/95/1101188895.db2.gz YZFLBOHZIUVVDN-IBGZPJMESA-N 0 3 312.457 3.331 20 30 DGEDHN CC(C)C#CC(=O)N1CCCN([C@@H]2CCCc3ccccc32)CC1 ZINC001195755158 1101190299 /nfs/dbraw/zinc/19/02/99/1101190299.db2.gz ZRGKIVXXMIGYOE-HXUWFJFHSA-N 0 3 324.468 3.258 20 30 DGEDHN CC(C)C#CC(=O)N1CCCN(Cc2ccccc2C2CC2)CC1 ZINC001195780539 1101199897 /nfs/dbraw/zinc/19/98/97/1101199897.db2.gz DYCQMBZQTIGWTG-UHFFFAOYSA-N 0 3 324.468 3.258 20 30 DGEDHN CCC/C=C\CCN1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785830 1101201415 /nfs/dbraw/zinc/20/14/15/1101201415.db2.gz XEZBFMXZNAAXTO-FPLPWBNLSA-N 0 3 304.478 3.317 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC/C=C\CC)CC2)CCC1 ZINC001196138536 1101255254 /nfs/dbraw/zinc/25/52/54/1101255254.db2.gz OXNGPYUNVFMWBX-WAYWQWQTSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2c(C)noc2C(C)C)CC1 ZINC001196208900 1101268270 /nfs/dbraw/zinc/26/82/70/1101268270.db2.gz ZCXIQWBJYQOATM-UHFFFAOYSA-N 0 3 319.449 3.221 20 30 DGEDHN CCN1CC=C(c2cnc(-c3ccnc(C#N)c3)c(C)c2)CC1 ZINC001241182669 1101287895 /nfs/dbraw/zinc/28/78/95/1101287895.db2.gz AKCQVRIIQFVOAQ-UHFFFAOYSA-N 0 3 304.397 3.433 20 30 DGEDHN N#CC1(c2ccccc2-c2c(F)ccc([O-])c2F)CC[NH2+]CC1 ZINC001241294360 1101357537 /nfs/dbraw/zinc/35/75/37/1101357537.db2.gz RZZSBSIRMCWDIL-UHFFFAOYSA-N 0 3 314.335 3.482 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196666023 1101362059 /nfs/dbraw/zinc/36/20/59/1101362059.db2.gz OPFBMEWYWQPGFC-FQQSSWHASA-N 0 3 322.493 3.106 20 30 DGEDHN CN1CC=C(c2nccc(-c3cc(C#N)c(F)cc3F)n2)CC1 ZINC001241307607 1101367527 /nfs/dbraw/zinc/36/75/27/1101367527.db2.gz CZLBYMVSUZJQTJ-UHFFFAOYSA-N 0 3 312.323 3.012 20 30 DGEDHN CN1CC=C(c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001241312777 1101368412 /nfs/dbraw/zinc/36/84/12/1101368412.db2.gz MBBFYIRPYXFZTN-UHFFFAOYSA-N 0 3 319.408 3.446 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196831411 1101401783 /nfs/dbraw/zinc/40/17/83/1101401783.db2.gz QIRUFODWWUANEU-HOTGVXAUSA-N 0 3 320.502 3.283 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196830633 1101402747 /nfs/dbraw/zinc/40/27/47/1101402747.db2.gz MENPKPGKCBXQAO-ROUUACIJSA-N 0 3 314.473 3.222 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196854900 1101418200 /nfs/dbraw/zinc/41/82/00/1101418200.db2.gz VEKWYMIRTBWEQM-UONOGXRCSA-N 0 3 314.420 3.024 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC001197007378 1101457292 /nfs/dbraw/zinc/45/72/92/1101457292.db2.gz PZVPPWGBBVCJLR-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN O=C1C=C2CN(C(=S)Nc3ccc(Cl)cc3)CCC2S1 ZINC001197314009 1101524079 /nfs/dbraw/zinc/52/40/79/1101524079.db2.gz CSZZKRMVJGJNME-LBPRGKRZSA-N 0 3 324.858 3.311 20 30 DGEDHN CC(C)N(C(=S)Nc1cccc(C#N)c1)C1CCN(C)CC1 ZINC001197708898 1101647928 /nfs/dbraw/zinc/64/79/28/1101647928.db2.gz LYWVHXODVZKZSJ-UHFFFAOYSA-N 0 3 316.474 3.060 20 30 DGEDHN CN(C)[C@@H](CNC(=S)Nc1cccc(C#N)c1)c1ccccc1 ZINC001197727091 1101651369 /nfs/dbraw/zinc/65/13/69/1101651369.db2.gz VEASQNUZZNUOOS-KRWDZBQOSA-N 0 3 324.453 3.148 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccnc(C)c3C#N)cc2)CC1 ZINC001241745439 1101676881 /nfs/dbraw/zinc/67/68/81/1101676881.db2.gz NMDVMASJYIVATM-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1CN(CCCCC)C[C@H]1O ZINC001198069307 1101754168 /nfs/dbraw/zinc/75/41/68/1101754168.db2.gz VQYJZULKTHQHMW-IAGOWNOFSA-N 0 3 312.498 3.089 20 30 DGEDHN C=CCC1(C(=O)N2CCCN([C@H](C)COC)CC2)CCCCC1 ZINC001198221040 1101781640 /nfs/dbraw/zinc/78/16/40/1101781640.db2.gz FDGMRFFMMZFLOC-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H](CCC=C)c2ccccc2)CC1 ZINC001198423579 1101849567 /nfs/dbraw/zinc/84/95/67/1101849567.db2.gz QGKXNGAGZJJEBH-HXUWFJFHSA-N 0 3 324.468 3.294 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)C1CCC1)c1ccccc1OC ZINC001198471553 1101867731 /nfs/dbraw/zinc/86/77/31/1101867731.db2.gz JZAGVJZKJUNWGS-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCC[C@@H](C)F)c1ccccc1OC ZINC001198595367 1101921291 /nfs/dbraw/zinc/92/12/91/1101921291.db2.gz KZRSVZQRMJVEHQ-ZBFHGGJFSA-N 0 3 322.424 3.156 20 30 DGEDHN C[NH+](C)CCOc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001242153015 1101945859 /nfs/dbraw/zinc/94/58/59/1101945859.db2.gz SWDSXUSDKVZQTB-XDHOZWIPSA-N 0 3 302.349 3.241 20 30 DGEDHN CC(C)(C)COS(=O)(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC001242176590 1101960852 /nfs/dbraw/zinc/96/08/52/1101960852.db2.gz IXHVMHGKXYOOOX-UHFFFAOYSA-N 0 3 320.414 3.082 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198740393 1101963605 /nfs/dbraw/zinc/96/36/05/1101963605.db2.gz DQLCJNAJQCZTAT-MRXNPFEDSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCCCC)c1ccccc1OC ZINC001198834315 1101990204 /nfs/dbraw/zinc/99/02/04/1101990204.db2.gz LFDXVADBGZEPBX-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198885362 1102022148 /nfs/dbraw/zinc/02/21/48/1102022148.db2.gz FOJFRRFPUYXIAS-VQIMIIECSA-N 0 3 318.461 3.454 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCc2ccccc21 ZINC001110534140 1102146966 /nfs/dbraw/zinc/14/69/66/1102146966.db2.gz RBZCYNHXLHRKCP-AFYVEPGGSA-N 0 3 322.452 3.055 20 30 DGEDHN Cc1cc(C#N)cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)c1 ZINC001242478270 1102156355 /nfs/dbraw/zinc/15/63/55/1102156355.db2.gz WSSKWHABBSONSO-UHFFFAOYSA-N 0 3 320.440 3.459 20 30 DGEDHN N#Cc1ccccc1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001242716460 1102302832 /nfs/dbraw/zinc/30/28/32/1102302832.db2.gz WKCLQDALKLFYBQ-LJQANCHMSA-N 0 3 303.365 3.139 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C)CC ZINC001273812786 1102304027 /nfs/dbraw/zinc/30/40/27/1102304027.db2.gz ALIYZIGLYCTTPC-YJBOKZPZSA-N 0 3 300.446 3.152 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001273840886 1102371321 /nfs/dbraw/zinc/37/13/21/1102371321.db2.gz OWONZNJNVPZNHM-IEBWSBKVSA-N 0 3 322.468 3.243 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001273840890 1102371642 /nfs/dbraw/zinc/37/16/42/1102371642.db2.gz OWONZNJNVPZNHM-PKOBYXMFSA-N 0 3 322.468 3.243 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)CCC)C2 ZINC001273840547 1102371673 /nfs/dbraw/zinc/37/16/73/1102371673.db2.gz LIEXWABSSLRXDT-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCCN1CCN(CCOC)c2ncccc2C1 ZINC001201776782 1102733829 /nfs/dbraw/zinc/73/38/29/1102733829.db2.gz LDXGKKCGYODEFD-UHFFFAOYSA-N 0 3 305.466 3.320 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202131410 1102848998 /nfs/dbraw/zinc/84/89/98/1102848998.db2.gz XESRUHFSGSSWHS-CVCOIXHCSA-N 0 3 319.276 3.488 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc4[nH]c(C#N)cc4c3)c2)CC1 ZINC001243671194 1102905437 /nfs/dbraw/zinc/90/54/37/1102905437.db2.gz YFQSPKMCBWFEEY-UHFFFAOYSA-N 0 3 316.408 3.458 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2cccc(OC)c2C)C1 ZINC001278369302 1102920010 /nfs/dbraw/zinc/92/00/10/1102920010.db2.gz PNLMTDGSXRUGQT-IBGZPJMESA-N 0 3 316.445 3.050 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202343192 1102935101 /nfs/dbraw/zinc/93/51/01/1102935101.db2.gz STOGQKJENCFTOQ-RTBURBONSA-N 0 3 324.468 3.101 20 30 DGEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1C1=CC[C@@H](C#N)CC1 ZINC001243789647 1102980318 /nfs/dbraw/zinc/98/03/18/1102980318.db2.gz JEGVLWXWRBDOSH-GFCCVEGCSA-N 0 3 312.417 3.232 20 30 DGEDHN CN1CCN(Cc2ccc(NC3=CC[C@@H](C#N)CC3)cc2)CC1 ZINC001212861125 1103097163 /nfs/dbraw/zinc/09/71/63/1103097163.db2.gz NFGAPBFXHHFCMV-MRXNPFEDSA-N 0 3 310.445 3.053 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001488686477 1103106297 /nfs/dbraw/zinc/10/62/97/1103106297.db2.gz AWXXOJFZBDCZDG-IBGZPJMESA-N 0 3 312.457 3.288 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NC1=CC[C@H](C#N)CC1 ZINC001212862227 1103110955 /nfs/dbraw/zinc/11/09/55/1103110955.db2.gz FNTLBCPUTSCURO-INIZCTEOSA-N 0 3 310.445 3.366 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCC2CC2)CCCCC1 ZINC001488699207 1103111723 /nfs/dbraw/zinc/11/17/23/1103111723.db2.gz OKEXBJBTOHGYOL-GOSISDBHSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)Cc1ccccc1)C2 ZINC001111242805 1103113858 /nfs/dbraw/zinc/11/38/58/1103113858.db2.gz QJRPYRCSVSQFAW-QRVBRYPASA-N 0 3 324.468 3.000 20 30 DGEDHN CCCCCCC[C@@H](C)NCc1ccc(S(C)(=O)=O)cn1 ZINC001258042808 1103120085 /nfs/dbraw/zinc/12/00/85/1103120085.db2.gz ZVJWJCMRZHHZED-CQSZACIVSA-N 0 3 312.479 3.324 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001488763624 1103146546 /nfs/dbraw/zinc/14/65/46/1103146546.db2.gz KNULPCIYEDQFCA-WOVMCDHWSA-N 0 3 318.436 3.475 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@H](F)CC ZINC001325894452 1103154099 /nfs/dbraw/zinc/15/40/99/1103154099.db2.gz BBAVASLHAGSEFQ-KZNAEPCWSA-N 0 3 322.468 3.384 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC001325902229 1103158376 /nfs/dbraw/zinc/15/83/76/1103158376.db2.gz FCFZCADAUBENBZ-YOEHRIQHSA-N 0 3 319.832 3.353 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1ccco1)C2 ZINC001111285647 1103174234 /nfs/dbraw/zinc/17/42/34/1103174234.db2.gz VQXYJYBMYHFTAB-FPCVCCKLSA-N 0 3 302.418 3.071 20 30 DGEDHN N#CC1(c2cccc(-c3cc(N4CCOCC4)ccn3)c2)CC1 ZINC001244073391 1103190227 /nfs/dbraw/zinc/19/02/27/1103190227.db2.gz UTAWUIJBUYXSIZ-UHFFFAOYSA-N 0 3 305.381 3.140 20 30 DGEDHN CCO[C@@H]1C[C@@H](NC2CC(C#N)(c3ccccc3)C2)[C@@H]1SC ZINC001326187892 1103227308 /nfs/dbraw/zinc/22/73/08/1103227308.db2.gz MQIQJMCZYVTBDR-MFJUZZNBSA-N 0 3 316.470 3.109 20 30 DGEDHN CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001490865385 1103233598 /nfs/dbraw/zinc/23/35/98/1103233598.db2.gz AAAVLVVJNKDIAB-SHTZXODSSA-N 0 3 304.434 3.213 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001488996525 1103240996 /nfs/dbraw/zinc/24/09/96/1103240996.db2.gz GNRJQGFCKUIFNZ-RDDKANTKSA-N 0 3 324.896 3.392 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1c[nH]cc1C ZINC001489002915 1103244239 /nfs/dbraw/zinc/24/42/39/1103244239.db2.gz PERHSQRZTUYPRZ-LRDDRELGSA-N 0 3 323.868 3.296 20 30 DGEDHN Cc1ccc(CN2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)cc1C ZINC001489261750 1103326784 /nfs/dbraw/zinc/32/67/84/1103326784.db2.gz DRDSDKMWHGVIJD-MJGOQNOKSA-N 0 3 312.457 3.042 20 30 DGEDHN CCN1CC=C(c2cnc(-c3ccncc3C#N)c(C)c2)CC1 ZINC001244332556 1103368071 /nfs/dbraw/zinc/36/80/71/1103368071.db2.gz BLFIZQLKMIORHO-UHFFFAOYSA-N 0 3 304.397 3.433 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C#CC(C)(C)C)CCCCC1 ZINC001115528118 1103399345 /nfs/dbraw/zinc/39/93/45/1103399345.db2.gz DBAOCNQIVTXWJU-UHFFFAOYSA-N 0 3 310.869 3.197 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001110610485 1103507790 /nfs/dbraw/zinc/50/77/90/1103507790.db2.gz FNLNMSQMZJJZAG-KFWWJZLASA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2ncsc2c1 ZINC001276365683 1103569277 /nfs/dbraw/zinc/56/92/77/1103569277.db2.gz MZRONYVSTGOLFT-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001490442615 1103603596 /nfs/dbraw/zinc/60/35/96/1103603596.db2.gz CIQVVHOXOZKXID-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCN(C)Cc2ncccc2C)C1 ZINC001327258899 1103603909 /nfs/dbraw/zinc/60/39/09/1103603909.db2.gz VLWSJJLGNOEYPP-UHFFFAOYSA-N 0 3 315.461 3.027 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001327277358 1103611806 /nfs/dbraw/zinc/61/18/06/1103611806.db2.gz PHGBACQLWVHVTP-UHFFFAOYSA-N 0 3 310.441 3.063 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ncccc2F)C1 ZINC001490452693 1103612036 /nfs/dbraw/zinc/61/20/36/1103612036.db2.gz JJBVYXYTZGEOEZ-OAHLLOKOSA-N 0 3 321.440 3.385 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCF)C2)CCCCC1 ZINC001490458751 1103633522 /nfs/dbraw/zinc/63/35/22/1103633522.db2.gz ROSRBXQOICNZGS-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001490554020 1103651979 /nfs/dbraw/zinc/65/19/79/1103651979.db2.gz DWEHLJKLSOAPEJ-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C(F)F)c1)C2 ZINC001095927601 1103661342 /nfs/dbraw/zinc/66/13/42/1103661342.db2.gz FTAWWSIPJQLWCJ-AGIUHOORSA-N 0 3 310.344 3.128 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001490599231 1103672948 /nfs/dbraw/zinc/67/29/48/1103672948.db2.gz QEPXQVGWFGXOPD-FUKWUPMWSA-N 0 3 322.452 3.084 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1sccc1Cl)C1CC1 ZINC001490642682 1103675774 /nfs/dbraw/zinc/67/57/74/1103675774.db2.gz RUVMHXAGDWEKLO-CYBMUJFWSA-N 0 3 312.866 3.352 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccc(C)s2)CC1 ZINC001490607096 1103679105 /nfs/dbraw/zinc/67/91/05/1103679105.db2.gz JSDYTIDKGYZOAG-UHFFFAOYSA-N 0 3 318.486 3.396 20 30 DGEDHN C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490751501 1103723182 /nfs/dbraw/zinc/72/31/82/1103723182.db2.gz LGBYTBQSUWQHFD-INIZCTEOSA-N 0 3 316.445 3.142 20 30 DGEDHN C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001490751501 1103723195 /nfs/dbraw/zinc/72/31/95/1103723195.db2.gz LGBYTBQSUWQHFD-INIZCTEOSA-N 0 3 316.445 3.142 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001490793020 1103745883 /nfs/dbraw/zinc/74/58/83/1103745883.db2.gz AOAFMBIFNLYBFQ-XQLPTFJDSA-N 0 3 312.404 3.062 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CCCCC1)C2 ZINC001110796551 1103840366 /nfs/dbraw/zinc/84/03/66/1103840366.db2.gz RORRMLLCSFWWDV-ZACQAIPSSA-N 0 3 302.462 3.092 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)cc1)C2 ZINC001096587109 1103875073 /nfs/dbraw/zinc/87/50/73/1103875073.db2.gz TUNNYGIKMSLHMP-QYZOEREBSA-N 0 3 310.441 3.475 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1ccccc1)C2 ZINC001111436484 1103910556 /nfs/dbraw/zinc/91/05/56/1103910556.db2.gz JUGRILKKWABCSL-OWYHZJEWSA-N 0 3 312.457 3.163 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)CC(CC)CC)CC2)C1 ZINC001328491680 1103967734 /nfs/dbraw/zinc/96/77/34/1103967734.db2.gz GUJJBXPYDVROFQ-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H](C)SC)CC1 ZINC001328568236 1103982723 /nfs/dbraw/zinc/98/27/23/1103982723.db2.gz STVPFKVBAMHUTI-CYBMUJFWSA-N 0 3 318.914 3.051 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@@H](Oc3cccnc3)C2)cc1 ZINC001137119540 1103993454 /nfs/dbraw/zinc/99/34/54/1103993454.db2.gz UTRJPAVCHPPQJI-LJQANCHMSA-N 0 3 323.396 3.027 20 30 DGEDHN N#Cc1ccc2nccc(C3=CC[C@@H](N4CCOCC4)CC3)c2c1 ZINC001245423432 1104043373 /nfs/dbraw/zinc/04/33/73/1104043373.db2.gz HKLAWRBHMXKLES-QGZVFWFLSA-N 0 3 319.408 3.375 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001202592648 1104069657 /nfs/dbraw/zinc/06/96/57/1104069657.db2.gz VHKQHGPSXCPYGO-DLBZAZTESA-N 0 3 316.420 3.309 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC(F)(F)F)C12CCC2 ZINC001202704150 1104124909 /nfs/dbraw/zinc/12/49/09/1104124909.db2.gz OMASYHHGSOCORV-QWRGUYRKSA-N 0 3 324.774 3.098 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001329048970 1104136491 /nfs/dbraw/zinc/13/64/91/1104136491.db2.gz NUXGMBSNHPIPAM-MSOLQXFVSA-N 0 3 324.468 3.289 20 30 DGEDHN Cc1ccc(C#N)c(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001245604036 1104147005 /nfs/dbraw/zinc/14/70/05/1104147005.db2.gz PDGSMTXCMWHQSU-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN Cc1ccc(C#N)c(-c2cc(OC3CCN(C)CC3)ccn2)c1 ZINC001245603658 1104147238 /nfs/dbraw/zinc/14/72/38/1104147238.db2.gz PVSKCPGCOATQQD-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ns1 ZINC001329103557 1104153174 /nfs/dbraw/zinc/15/31/74/1104153174.db2.gz LWSAULPZWLSXJV-OLZOCXBDSA-N 0 3 309.479 3.037 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001278414820 1104204084 /nfs/dbraw/zinc/20/40/84/1104204084.db2.gz DWCVAVJVWASKTB-LPHOPBHVSA-N 0 3 312.457 3.101 20 30 DGEDHN Cc1ccc(C)c(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001202760019 1104210031 /nfs/dbraw/zinc/21/00/31/1104210031.db2.gz JLMZQUDKGYYLQO-CQSZACIVSA-N 0 3 302.399 3.109 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C)(C)C(C)C ZINC001329291549 1104213220 /nfs/dbraw/zinc/21/32/20/1104213220.db2.gz WNPAKRIEFYANMQ-UHFFFAOYSA-N 0 3 302.890 3.495 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](CC)OCC)cc2C1 ZINC001274020399 1104224118 /nfs/dbraw/zinc/22/41/18/1104224118.db2.gz APEISTURZGLSJL-SFHVURJKSA-N 0 3 316.445 3.010 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(F)cc1 ZINC001329428361 1104260744 /nfs/dbraw/zinc/26/07/44/1104260744.db2.gz QHYPEKVYTHHVFU-HUUCEWRRSA-N 0 3 304.409 3.127 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C(C)C)nc1CC ZINC001329550177 1104312169 /nfs/dbraw/zinc/31/21/69/1104312169.db2.gz PTULBAMIPPIBQS-CQSZACIVSA-N 0 3 303.450 3.004 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001274338852 1104358033 /nfs/dbraw/zinc/35/80/33/1104358033.db2.gz IZGHKNCWZNQRMN-MJRGOJFPSA-N 0 3 304.409 3.190 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001330039454 1104460218 /nfs/dbraw/zinc/46/02/18/1104460218.db2.gz RQJHTBFXYTXLCG-MRXNPFEDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001274792911 1104498417 /nfs/dbraw/zinc/49/84/17/1104498417.db2.gz UNSLXFSTGGOOJW-WMLDXEAASA-N 0 3 320.864 3.028 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3ccsc3Cl)C2)C1=O ZINC001274859777 1104521896 /nfs/dbraw/zinc/52/18/96/1104521896.db2.gz WLUHBNDCLAOBIK-HNNXBMFYSA-N 0 3 310.850 3.012 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)C[C@H](C)CCC)CC2)C1 ZINC001274868100 1104529258 /nfs/dbraw/zinc/52/92/58/1104529258.db2.gz STUGSZUDYLMJIR-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1ccc(Cl)cc1OC ZINC001274877648 1104531397 /nfs/dbraw/zinc/53/13/97/1104531397.db2.gz GIYPKCIOQXSNPO-GFCCVEGCSA-N 0 3 324.852 3.155 20 30 DGEDHN CCC(=O)N1CCCC[C@H]1CNCC#Cc1ccc(Cl)cc1 ZINC001274965487 1104556875 /nfs/dbraw/zinc/55/68/75/1104556875.db2.gz LFLFGYYOTQCLSS-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@]2(C)CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001330528154 1104568190 /nfs/dbraw/zinc/56/81/90/1104568190.db2.gz HGJXYHGIESSWIU-QRQLOZEOSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001275029914 1104583349 /nfs/dbraw/zinc/58/33/49/1104583349.db2.gz KAZWTQTYBZSAED-ZVXABGALSA-N 0 3 306.837 3.193 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)s2)cn1 ZINC001330749769 1104636655 /nfs/dbraw/zinc/63/66/55/1104636655.db2.gz MIOVILSKNKQBHV-LQDVMPOASA-N 0 3 312.442 3.264 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3ccccc3C)CCC[C@@H]12 ZINC001278459190 1104638904 /nfs/dbraw/zinc/63/89/04/1104638904.db2.gz IRBBHVVPRKVADC-CTNGQTDRSA-N 0 3 324.468 3.064 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)nn1C ZINC001275130924 1104641115 /nfs/dbraw/zinc/64/11/15/1104641115.db2.gz LCEUSRNRMPZUNI-HDICACEKSA-N 0 3 318.509 3.348 20 30 DGEDHN CCCCCCCCCN1CC2(C1)CN(Cc1cn[nH]c1)C2 ZINC001275132056 1104642590 /nfs/dbraw/zinc/64/25/90/1104642590.db2.gz NGJYPIXUCIJFTD-UHFFFAOYSA-N 0 3 304.482 3.278 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001322793716 1104700795 /nfs/dbraw/zinc/70/07/95/1104700795.db2.gz VZONOSIQZGZEOQ-HNNXBMFYSA-N 0 3 318.864 3.486 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CN(C)CCOC)CCCCC1 ZINC001275167199 1104661875 /nfs/dbraw/zinc/66/18/75/1104661875.db2.gz NSCXEFXIYOEXFA-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)CCC1CCC1 ZINC001275377889 1104741781 /nfs/dbraw/zinc/74/17/81/1104741781.db2.gz VAVQIMKCPSOZFZ-CHWSQXEVSA-N 0 3 319.474 3.183 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(F)cc1 ZINC001275544628 1104802691 /nfs/dbraw/zinc/80/26/91/1104802691.db2.gz OYWOQRXQZKIURT-LSDHHAIUSA-N 0 3 304.409 3.127 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC001275706398 1104873405 /nfs/dbraw/zinc/87/34/05/1104873405.db2.gz GLVRALKTFARKAY-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)c1ccco1 ZINC001275709725 1104873658 /nfs/dbraw/zinc/87/36/58/1104873658.db2.gz KNYZCQWJTGGVLF-ZDUSSCGKSA-N 0 3 312.841 3.210 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1csc(C(F)(F)F)c1 ZINC001275875116 1104941233 /nfs/dbraw/zinc/94/12/33/1104941233.db2.gz YFQQBDXILJXASD-VIFPVBQESA-N 0 3 306.353 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(CC)cc1 ZINC001275897565 1104947236 /nfs/dbraw/zinc/94/72/36/1104947236.db2.gz QEIHWOXBYJAODD-OAHLLOKOSA-N 0 3 302.462 3.398 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)CCc1scnc1C ZINC001275920908 1104957028 /nfs/dbraw/zinc/95/70/28/1104957028.db2.gz ONTIZULWVLIGGE-GUYCJALGSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001275970561 1104972958 /nfs/dbraw/zinc/97/29/58/1104972958.db2.gz POIAORIEHCMWGW-LSDHHAIUSA-N 0 3 304.434 3.100 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001276025218 1104990543 /nfs/dbraw/zinc/99/05/43/1104990543.db2.gz JWHBPIBWUJCDHC-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(o1)CCCC3)C2 ZINC001095519060 1105060178 /nfs/dbraw/zinc/06/01/78/1105060178.db2.gz PUJOWJBYBNKGCK-PMPSAXMXSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC001276276653 1105072882 /nfs/dbraw/zinc/07/28/82/1105072882.db2.gz CVEPWMIJGIUBFV-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)[nH]c3ccccc31)C2 ZINC001095720981 1105100910 /nfs/dbraw/zinc/10/09/10/1105100910.db2.gz LNKBJBMZNFVLHU-JLSDUUJJSA-N 0 3 323.440 3.388 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CCC1 ZINC001110987551 1105135204 /nfs/dbraw/zinc/13/52/04/1105135204.db2.gz SRUMLZGNYOLBKB-ZACQAIPSSA-N 0 3 302.462 3.421 20 30 DGEDHN C=CCN(C)Cc1ccc(C)c(I)c1 ZINC001248762638 1105157660 /nfs/dbraw/zinc/15/76/60/1105157660.db2.gz ZJLNOVGJMBBMJY-UHFFFAOYSA-N 0 3 301.171 3.217 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(Cc3ccccc3C#N)n2)cc1 ZINC001248931345 1105196546 /nfs/dbraw/zinc/19/65/46/1105196546.db2.gz DYCOBEZZNPLGMC-UHFFFAOYSA-N 0 3 318.380 3.261 20 30 DGEDHN CCCCCCCOc1ccc(-c2noc([C@H](N)CN)n2)cc1 ZINC001249127743 1105229600 /nfs/dbraw/zinc/22/96/00/1105229600.db2.gz WSEKKGXBQDTLJC-OAHLLOKOSA-N 0 3 318.421 3.044 20 30 DGEDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC(S)CC3)ccc2O1 ZINC001249252169 1105256790 /nfs/dbraw/zinc/25/67/90/1105256790.db2.gz HKRQBVPJABRYPO-UHFFFAOYSA-N 0 3 305.443 3.471 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccccc3OC(C)C)no2)CCCN1 ZINC001249351703 1105272000 /nfs/dbraw/zinc/27/20/00/1105272000.db2.gz DACQBQATWXPQCW-GOSISDBHSA-N 0 3 311.385 3.126 20 30 DGEDHN C=CCN(C)Cc1cccc(I)c1C ZINC001249861575 1105393717 /nfs/dbraw/zinc/39/37/17/1105393717.db2.gz NYZRFNVXVWZHQY-UHFFFAOYSA-N 0 3 301.171 3.217 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)ccc1F)C2 ZINC001097480205 1105399759 /nfs/dbraw/zinc/39/97/59/1105399759.db2.gz XTXPJLMEILFEGW-WQVCFCJDSA-N 0 3 322.811 3.390 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@@H]3C[C@@H]3CC1)C2 ZINC001097573635 1105409501 /nfs/dbraw/zinc/40/95/01/1105409501.db2.gz JHUROKQIIJWWQJ-PNVOZDDCSA-N 0 3 302.462 3.110 20 30 DGEDHN CCN1CCN(c2ccc(Cc3cccc(C#N)c3)cc2)CC1 ZINC001250049755 1105433304 /nfs/dbraw/zinc/43/33/04/1105433304.db2.gz BOQNRRCIEJOBAP-UHFFFAOYSA-N 0 3 305.425 3.291 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C1(C)CC1)C2 ZINC001097829360 1105448880 /nfs/dbraw/zinc/44/88/80/1105448880.db2.gz PPCBFIPUBBNROS-LZQZEXGQSA-N 0 3 322.452 3.097 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2 ZINC001097978644 1105488938 /nfs/dbraw/zinc/48/89/38/1105488938.db2.gz IUKGGMMGFNZZCR-RTXFEEFZSA-N 0 3 310.850 3.313 20 30 DGEDHN N#Cc1cnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nc1 ZINC001250507437 1105526571 /nfs/dbraw/zinc/52/65/71/1105526571.db2.gz JUGSBSIZAJMDKS-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)ccc1C)C2 ZINC001098062166 1105540298 /nfs/dbraw/zinc/54/02/98/1105540298.db2.gz JSFCDDXSDBOXLG-OIISXLGYSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1sc(C)cc1C)C2 ZINC001098301769 1105567579 /nfs/dbraw/zinc/56/75/79/1105567579.db2.gz OOJWAELLEBSKFN-OAGGEKHMSA-N 0 3 318.486 3.205 20 30 DGEDHN CC(C)c1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC001250758438 1105578258 /nfs/dbraw/zinc/57/82/58/1105578258.db2.gz KMNQESPPMHGKAV-AEFFLSMTSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)C2 ZINC001098517605 1105581490 /nfs/dbraw/zinc/58/14/90/1105581490.db2.gz NWIXZMOVXZDYOU-MLHJIOFPSA-N 0 3 316.489 3.338 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)C[C@H](NC(=O)CC)c1ccccc1O2 ZINC001098538891 1105583395 /nfs/dbraw/zinc/58/33/95/1105583395.db2.gz PHKRNAGLBDXTSR-LPHOPBHVSA-N 0 3 314.429 3.057 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001098843988 1105607949 /nfs/dbraw/zinc/60/79/49/1105607949.db2.gz NYWXIVUENVHZOJ-LJCCNALRSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)sc2C)C1 ZINC001098928222 1105613581 /nfs/dbraw/zinc/61/35/81/1105613581.db2.gz FTTASOTUDWXWGD-YOEHRIQHSA-N 0 3 304.459 3.135 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ccoc1 ZINC001099013046 1105627665 /nfs/dbraw/zinc/62/76/65/1105627665.db2.gz REJQJUPPSNYKNX-INIZCTEOSA-N 0 3 304.434 3.005 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2Cl)C1 ZINC001099014913 1105628636 /nfs/dbraw/zinc/62/86/36/1105628636.db2.gz PONSGAWTSRCHOR-LRDDRELGSA-N 0 3 308.809 3.093 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001099073660 1105638805 /nfs/dbraw/zinc/63/88/05/1105638805.db2.gz JJKMUHYIGSLCJR-YHELAOLJSA-N 0 3 324.468 3.337 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OCC)C(C)C ZINC001099074090 1105638918 /nfs/dbraw/zinc/63/89/18/1105638918.db2.gz HWFSKTQTOVYNDU-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)c2Cl)C1 ZINC001099083523 1105640605 /nfs/dbraw/zinc/64/06/05/1105640605.db2.gz NCOIUVQTJNCYFM-KSSFIOAISA-N 0 3 318.848 3.419 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001278632681 1105640960 /nfs/dbraw/zinc/64/09/60/1105640960.db2.gz USTWKZQUWJCHOW-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CC(C)C)CC1 ZINC001099107328 1105643578 /nfs/dbraw/zinc/64/35/78/1105643578.db2.gz XRFZTPJGIUFUCJ-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC(F)(F)C1 ZINC001099125719 1105645866 /nfs/dbraw/zinc/64/58/66/1105645866.db2.gz JRENHRAPUDATQE-CQSZACIVSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC(F)F ZINC001099144994 1105649916 /nfs/dbraw/zinc/64/99/16/1105649916.db2.gz PYWDRDWDWRXZNL-KBPBESRZSA-N 0 3 316.436 3.461 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099169791 1105652965 /nfs/dbraw/zinc/65/29/65/1105652965.db2.gz ADAWIXIQZIAPDF-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CC=C ZINC001099170440 1105652976 /nfs/dbraw/zinc/65/29/76/1105652976.db2.gz HQJKWPHZXFKTQR-KRWDZBQOSA-N 0 3 304.478 3.363 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001099174151 1105653803 /nfs/dbraw/zinc/65/38/03/1105653803.db2.gz XIWXGRFFEIYVED-FPOVZHCZSA-N 0 3 322.452 3.172 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099214964 1105658022 /nfs/dbraw/zinc/65/80/22/1105658022.db2.gz OTLBIZNIPVXOFW-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C=C)cc2)C[C@H]1C(F)(F)F ZINC001099311205 1105667475 /nfs/dbraw/zinc/66/74/75/1105667475.db2.gz PSSUFLDTTVTZKL-HUUCEWRRSA-N 0 3 324.346 3.108 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cccc1 ZINC001099310170 1105667938 /nfs/dbraw/zinc/66/79/38/1105667938.db2.gz IVDCCWFIXGTAFR-IRXDYDNUSA-N 0 3 317.477 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cccc(F)c1 ZINC001099334832 1105670639 /nfs/dbraw/zinc/67/06/39/1105670639.db2.gz OACBCGSCAHEFLD-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001099349624 1105671280 /nfs/dbraw/zinc/67/12/80/1105671280.db2.gz QVKKLPPZJXUCFY-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001278636604 1105686606 /nfs/dbraw/zinc/68/66/06/1105686606.db2.gz AYWGUFBOHZPNIH-KRWDZBQOSA-N 0 3 306.494 3.300 20 30 DGEDHN CC[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001251782488 1105695291 /nfs/dbraw/zinc/69/52/91/1105695291.db2.gz DZZUHFHFESEUJN-HXUWFJFHSA-N 0 3 319.408 3.203 20 30 DGEDHN N#CC1(c2ccccc2)CCN(C[C@H](O)c2ccccc2)CC1 ZINC001251977760 1105717092 /nfs/dbraw/zinc/71/70/92/1105717092.db2.gz BXHXDHWSZQHPCT-IBGZPJMESA-N 0 3 306.409 3.277 20 30 DGEDHN CCCC(=O)NC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001278641178 1105724091 /nfs/dbraw/zinc/72/40/91/1105724091.db2.gz BMGSQYRWMXCWGF-IBGZPJMESA-N 0 3 313.445 3.077 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001252132241 1105746822 /nfs/dbraw/zinc/74/68/22/1105746822.db2.gz CNWQAGXEEBJTQU-QZTJIDSGSA-N 0 3 324.509 3.089 20 30 DGEDHN CCCCCCCC[C@H](O)CN[C@@H](CO)c1ccc(OC)cc1 ZINC001252135151 1105747920 /nfs/dbraw/zinc/74/79/20/1105747920.db2.gz YPNGSEOXWPXLNH-HKUYNNGSSA-N 0 3 323.477 3.430 20 30 DGEDHN CCCCCCCC[C@H](O)CNCc1cncn1CC1CC1 ZINC001252139958 1105749498 /nfs/dbraw/zinc/74/94/98/1105749498.db2.gz VXNPAMYRNXQHDU-SFHVURJKSA-N 0 3 307.482 3.494 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001278662447 1105772088 /nfs/dbraw/zinc/77/20/88/1105772088.db2.gz SCPZOCJJOOEUCK-GOSISDBHSA-N 0 3 324.468 3.077 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001491202546 1105773491 /nfs/dbraw/zinc/77/34/91/1105773491.db2.gz DFZLZSYJGYZGPZ-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCOC[C@@H](O)CN1CCC(c2ccccc2Cl)CC1 ZINC001252471302 1105781544 /nfs/dbraw/zinc/78/15/44/1105781544.db2.gz VUDPMPFOLOYZDM-HNNXBMFYSA-N 0 3 309.837 3.083 20 30 DGEDHN C=CCOC[C@@H](O)CNCc1cccc(C(F)(F)F)c1Cl ZINC001252487176 1105784014 /nfs/dbraw/zinc/78/40/14/1105784014.db2.gz NWSWYWBUSHFIHH-NSHDSACASA-N 0 3 323.742 3.012 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)NC[C@@H](O)COCCCC ZINC001252533669 1105790736 /nfs/dbraw/zinc/79/07/36/1105790736.db2.gz HGPYYJLEPJFUPY-JKSUJKDBSA-N 0 3 307.434 3.080 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CCC ZINC001491278762 1105793470 /nfs/dbraw/zinc/79/34/70/1105793470.db2.gz ANMIRAQESAEKHS-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001252601676 1105799922 /nfs/dbraw/zinc/79/99/22/1105799922.db2.gz CCEZMAYEHVUSBA-UYAOXDASSA-N 0 3 314.473 3.009 20 30 DGEDHN C=CCC[C@H](O)CN1CCSC[C@H]1c1ccc(OC)cc1 ZINC001252599871 1105800800 /nfs/dbraw/zinc/80/08/00/1105800800.db2.gz MIPLBPQOSIBDNZ-RDJZCZTQSA-N 0 3 307.459 3.112 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001491293802 1105801120 /nfs/dbraw/zinc/80/11/20/1105801120.db2.gz YKGBCDOWHVCGBZ-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001252602820 1105801069 /nfs/dbraw/zinc/80/10/69/1105801069.db2.gz XIJHFFPEGDIHLU-LJQANCHMSA-N 0 3 316.489 3.433 20 30 DGEDHN C=CCC[C@@H](O)CN1CCSC[C@@H]1c1cccc(OC)c1 ZINC001252604410 1105801328 /nfs/dbraw/zinc/80/13/28/1105801328.db2.gz RXWCXYDOOJGVNC-NVXWUHKLSA-N 0 3 307.459 3.112 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491293801 1105801729 /nfs/dbraw/zinc/80/17/29/1105801729.db2.gz YKGBCDOWHVCGBZ-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491293803 1105802082 /nfs/dbraw/zinc/80/20/82/1105802082.db2.gz YKGBCDOWHVCGBZ-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cncn1Cc1ccc(Cl)cc1 ZINC001252622496 1105806185 /nfs/dbraw/zinc/80/61/85/1105806185.db2.gz WJRHXEPETBEDJK-QGZVFWFLSA-N 0 3 319.836 3.002 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001278676832 1105816274 /nfs/dbraw/zinc/81/62/74/1105816274.db2.gz BAWRNBKAVNALJZ-FQEVSTJZSA-N 0 3 323.440 3.023 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1 ZINC001101162842 1105892557 /nfs/dbraw/zinc/89/25/57/1105892557.db2.gz KCVVKIYMRMJFOU-APWZRJJASA-N 0 3 316.420 3.072 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001101252117 1105903713 /nfs/dbraw/zinc/90/37/13/1105903713.db2.gz BRRHBHHMMYKMJM-RKVPGOIHSA-N 0 3 310.457 3.117 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCN(C)c2ncccc2C1 ZINC001253237007 1105906729 /nfs/dbraw/zinc/90/67/29/1105906729.db2.gz HIUNBTWMOGWEMD-SFHVURJKSA-N 0 3 317.477 3.221 20 30 DGEDHN CCCCC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001253539191 1105954137 /nfs/dbraw/zinc/95/41/37/1105954137.db2.gz VDCOAHQKYOXEEY-QZTJIDSGSA-N 0 3 316.445 3.343 20 30 DGEDHN CC(C)(C)[C@H](O)CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001253732596 1105976298 /nfs/dbraw/zinc/97/62/98/1105976298.db2.gz LZNXTXCKUYRLIY-MRXNPFEDSA-N 0 3 304.409 3.090 20 30 DGEDHN N#Cc1cccc(N2CCN(C3CCC(F)(F)CC3)CC2)c1 ZINC001254225904 1106038956 /nfs/dbraw/zinc/03/89/56/1106038956.db2.gz MALBMBOFPLIDKQ-UHFFFAOYSA-N 0 3 305.372 3.258 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)CCC1 ZINC001102333299 1106049837 /nfs/dbraw/zinc/04/98/37/1106049837.db2.gz OWQRZIJWEDJCKV-LGIYYPAKSA-N 0 3 310.869 3.169 20 30 DGEDHN Cn1ccnc1CNC1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254340814 1106056532 /nfs/dbraw/zinc/05/65/32/1106056532.db2.gz AZMOERFXOOTVHI-UHFFFAOYSA-N 0 3 312.392 3.053 20 30 DGEDHN Cn1ccc(CNC2CCC(C#N)(c3ccc(F)cc3)CC2)n1 ZINC001254344594 1106057282 /nfs/dbraw/zinc/05/72/82/1106057282.db2.gz ASVIYBBRUIIESP-UHFFFAOYSA-N 0 3 312.392 3.053 20 30 DGEDHN CN(Cc1cnccn1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356749 1106058856 /nfs/dbraw/zinc/05/88/56/1106058856.db2.gz SPLPCUNVCLHQBX-UHFFFAOYSA-N 0 3 324.403 3.452 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccoc2C)C1 ZINC001102656068 1106088937 /nfs/dbraw/zinc/08/89/37/1106088937.db2.gz JLRBOURGOIAKJO-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C=C(/C)C2CC2)C1 ZINC001102722648 1106099992 /nfs/dbraw/zinc/09/99/92/1106099992.db2.gz UILLTQYNZOXKNQ-UHQRNEECSA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001102784416 1106105256 /nfs/dbraw/zinc/10/52/56/1106105256.db2.gz RIQWIMGWDKYTTK-VEXXYJEVSA-N 0 3 312.885 3.415 20 30 DGEDHN C#CCCCCC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001102883796 1106116567 /nfs/dbraw/zinc/11/65/67/1106116567.db2.gz YQOKJFXGGINOBE-GDBMZVCRSA-N 0 3 310.869 3.007 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001254649292 1106122689 /nfs/dbraw/zinc/12/26/89/1106122689.db2.gz ROIVIDIECMWKPD-GDBMZVCRSA-N 0 3 314.820 3.367 20 30 DGEDHN CC1(COc2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cc2F)COC1 ZINC001254658658 1106125673 /nfs/dbraw/zinc/12/56/73/1106125673.db2.gz WSXNLSONRZDDRJ-UKRRQHHQSA-N 0 3 318.392 3.023 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@]1(C)CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254660920 1106126730 /nfs/dbraw/zinc/12/67/30/1106126730.db2.gz NFHBROUOAFTQJV-VBQJREDUSA-N 0 3 307.438 3.058 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001254669489 1106128325 /nfs/dbraw/zinc/12/83/25/1106128325.db2.gz RWVRXLHNUHNEBU-PBHICJAKSA-N 0 3 324.428 3.191 20 30 DGEDHN COc1ccccc1OC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254670774 1106129593 /nfs/dbraw/zinc/12/95/93/1106129593.db2.gz MJBWYMCPDDIQOM-GJZGRUSLSA-N 0 3 300.402 3.231 20 30 DGEDHN COc1ccccc1OC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670775 1106129983 /nfs/dbraw/zinc/12/99/83/1106129983.db2.gz MJBWYMCPDDIQOM-HUUCEWRRSA-N 0 3 300.402 3.231 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001254673957 1106130457 /nfs/dbraw/zinc/13/04/57/1106130457.db2.gz RTONQEVPCCAYHJ-CABCVRRESA-N 0 3 322.412 3.165 20 30 DGEDHN CCCN(CCC#N)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254782143 1106140815 /nfs/dbraw/zinc/14/08/15/1106140815.db2.gz UBTRYPRGASKNGT-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](N1CC[C@](C)(C#N)C1)C2 ZINC001254785719 1106141641 /nfs/dbraw/zinc/14/16/41/1106141641.db2.gz LBFCCZQBYHBULW-RHSMWYFYSA-N 0 3 319.449 3.012 20 30 DGEDHN CCCN(CCC#N)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254911551 1106154511 /nfs/dbraw/zinc/15/45/11/1106154511.db2.gz TUZBPBKISPJYIU-ZSHCYNCHSA-N 0 3 321.465 3.258 20 30 DGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC001255020262 1106167679 /nfs/dbraw/zinc/16/76/79/1106167679.db2.gz YXASWZPHBWZZQG-GDBMZVCRSA-N 0 3 319.449 3.412 20 30 DGEDHN CC[C@H](CC#N)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001255168317 1106198473 /nfs/dbraw/zinc/19/84/73/1106198473.db2.gz PNPYVVYWQQSAEV-QRVBRYPASA-N 0 3 313.445 3.393 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCCC#CC)C1 ZINC001103338746 1106206520 /nfs/dbraw/zinc/20/65/20/1106206520.db2.gz TTYXSILNEMQOPG-GDBMZVCRSA-N 0 3 310.869 3.007 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001103344793 1106207603 /nfs/dbraw/zinc/20/76/03/1106207603.db2.gz QMKWMYUAYNXURA-YUELXQCFSA-N 0 3 312.885 3.249 20 30 DGEDHN CC(C)N(C)c1ccc(CNCc2cccc(OCC#N)c2)cn1 ZINC001255690712 1106295493 /nfs/dbraw/zinc/29/54/93/1106295493.db2.gz ZKFYHVVRXADCAL-UHFFFAOYSA-N 0 3 324.428 3.118 20 30 DGEDHN C[C@@H](CSc1ccc(F)cc1)NC(=N)c1ccc(F)cn1 ZINC001255728450 1106303102 /nfs/dbraw/zinc/30/31/02/1106303102.db2.gz UBPCCYQBRPEZCU-JTQLQIEISA-N 0 3 307.369 3.246 20 30 DGEDHN CCCCN(CCC#N)C1CCN(Cc2ccncc2)CC1 ZINC001256590098 1106451058 /nfs/dbraw/zinc/45/10/58/1106451058.db2.gz CMDDOBXVJWIHPL-UHFFFAOYSA-N 0 3 300.450 3.062 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](F)CC)c1ccccc1CC ZINC001278969951 1106499700 /nfs/dbraw/zinc/49/97/00/1106499700.db2.gz UBIMBVLODMHMTB-DLBZAZTESA-N 0 3 306.425 3.320 20 30 DGEDHN CC[C@@H]1C[C@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257115986 1106541568 /nfs/dbraw/zinc/54/15/68/1106541568.db2.gz HAKTYBRTQMMBQK-ZIAGYGMSSA-N 0 3 307.438 3.058 20 30 DGEDHN CCOC(=O)c1ccc(C[C@H](C)NCc2ccc(C#N)o2)cc1 ZINC001257155435 1106545728 /nfs/dbraw/zinc/54/57/28/1106545728.db2.gz YOEJFAABMHCXFO-ZDUSSCGKSA-N 0 3 312.369 3.049 20 30 DGEDHN CCCCCC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001257369072 1106575460 /nfs/dbraw/zinc/57/54/60/1106575460.db2.gz SWNTYGFWSSIWSU-INIZCTEOSA-N 0 3 300.450 3.434 20 30 DGEDHN C[C@@H]1C[C@@H](NCC2(C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257580347 1106608839 /nfs/dbraw/zinc/60/88/39/1106608839.db2.gz GFQTWZDJRTWGND-BTTYYORXSA-N 0 3 307.438 3.056 20 30 DGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257968615 1106652696 /nfs/dbraw/zinc/65/26/96/1106652696.db2.gz MWCQFZGNUFIDOS-KSYCFECVSA-N 0 3 302.805 3.410 20 30 DGEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@H](C)Cc1ccco1)CCO2 ZINC001258191126 1106692446 /nfs/dbraw/zinc/69/24/46/1106692446.db2.gz AOEMWUYXYHVYFL-ZHALLVOQSA-N 0 3 319.445 3.284 20 30 DGEDHN CC[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C#CC(C)C ZINC001319994786 1106772601 /nfs/dbraw/zinc/77/26/01/1106772601.db2.gz LUAGKDGNXUFSCI-SFHVURJKSA-N 0 3 318.436 3.326 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(C(C)(F)F)cc1)C1CC1 ZINC001316928263 1106774396 /nfs/dbraw/zinc/77/43/96/1106774396.db2.gz GEWATMYPRLCMRB-UHFFFAOYSA-N 0 3 320.383 3.016 20 30 DGEDHN C=CCOCCN1CCC(N(C)C(=O)C2(CCC)CCC2)CC1 ZINC001316936446 1106785393 /nfs/dbraw/zinc/78/53/93/1106785393.db2.gz YLULMHFUWACKCO-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001316938522 1106786728 /nfs/dbraw/zinc/78/67/28/1106786728.db2.gz YVMDDJARMNGZJM-OAHLLOKOSA-N 0 3 318.436 3.428 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cc(C)on2)C1 ZINC001316938706 1106789367 /nfs/dbraw/zinc/78/93/67/1106789367.db2.gz XKKLYEADLHXMDK-HNNXBMFYSA-N 0 3 307.438 3.148 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001320034262 1106802297 /nfs/dbraw/zinc/80/22/97/1106802297.db2.gz QVKWSVLQZZMCCT-HNNXBMFYSA-N 0 3 318.461 3.359 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001316949569 1106814265 /nfs/dbraw/zinc/81/42/65/1106814265.db2.gz VHJAZKCSOOFVGT-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001320057776 1106828003 /nfs/dbraw/zinc/82/80/03/1106828003.db2.gz FINRPFDGZVGERD-JQWIXIFHSA-N 0 3 303.324 3.405 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2C)C1 ZINC001316980145 1106844620 /nfs/dbraw/zinc/84/46/20/1106844620.db2.gz MNGQACFEWAUJDN-KRWDZBQOSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)Cc1ccccc1C ZINC001320089507 1106861727 /nfs/dbraw/zinc/86/17/27/1106861727.db2.gz CZZMCLQXNCJVSA-QGZVFWFLSA-N 0 3 302.462 3.140 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCOCC)C2)CCCCC1 ZINC001316996283 1106877882 /nfs/dbraw/zinc/87/78/82/1106877882.db2.gz WWMACWFJKXWKFL-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001317003605 1106886168 /nfs/dbraw/zinc/88/61/68/1106886168.db2.gz XRJMJDRXEAZMFJ-PNPSXAPQSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC2(COC)CC2)CC1 ZINC001317006394 1106890754 /nfs/dbraw/zinc/89/07/54/1106890754.db2.gz NKWDEFVXICBIGH-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001258727309 1106931768 /nfs/dbraw/zinc/93/17/68/1106931768.db2.gz GOCUMIUCBGFXID-IEBWSBKVSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)OC ZINC001317048056 1106949616 /nfs/dbraw/zinc/94/96/16/1106949616.db2.gz CRKYXQNAILBTTI-FJIDUMEYSA-N 0 3 322.493 3.077 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC(F)(F)F ZINC001317047923 1106950179 /nfs/dbraw/zinc/95/01/79/1106950179.db2.gz LGXDVUDMUIXUEL-MCIONIFRSA-N 0 3 318.383 3.216 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001317075159 1106970985 /nfs/dbraw/zinc/97/09/85/1106970985.db2.gz VLPSRARREINAFG-SHTZXODSSA-N 0 3 322.811 3.019 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317089584 1106987053 /nfs/dbraw/zinc/98/70/53/1106987053.db2.gz GBZLUEADVMEKDO-WDSOQIARSA-N 0 3 312.457 3.101 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CCNCc1cccc(F)c1Cl ZINC001320407704 1106997901 /nfs/dbraw/zinc/99/79/01/1106997901.db2.gz SBUZJSOQGDXEBQ-CYBMUJFWSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001317118132 1107012703 /nfs/dbraw/zinc/01/27/03/1107012703.db2.gz NZVZMXGNIHLONO-GASCZTMLSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C[C@@H](COC)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC001320471049 1107014715 /nfs/dbraw/zinc/01/47/15/1107014715.db2.gz PGMJQENKBXKQSI-PWSUYJOCSA-N 0 3 314.223 3.315 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C(C1CCC1)C1CCC1 ZINC001320528803 1107043853 /nfs/dbraw/zinc/04/38/53/1107043853.db2.gz JBNKXOVUSZLEFI-CYBMUJFWSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(Cl)cs1 ZINC001320571796 1107058811 /nfs/dbraw/zinc/05/88/11/1107058811.db2.gz YDLHVNYQGQZVSK-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(Cl)s1 ZINC001320628640 1107079100 /nfs/dbraw/zinc/07/91/00/1107079100.db2.gz WYIHRFBRHOHECV-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC001317200214 1107118688 /nfs/dbraw/zinc/11/86/88/1107118688.db2.gz IZBPEWPFSGYCNV-FUHWJXTLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001317211394 1107133244 /nfs/dbraw/zinc/13/32/44/1107133244.db2.gz YXZPEAOKMAXQOG-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001317243624 1107169447 /nfs/dbraw/zinc/16/94/47/1107169447.db2.gz BXHRUDIQWQOEOR-SJKOYZFVSA-N 0 3 322.399 3.403 20 30 DGEDHN CN1Cc2ccccc2[C@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC001320870021 1107170296 /nfs/dbraw/zinc/17/02/96/1107170296.db2.gz FHTCQJOBIFBNFO-VEDCXYSMSA-N 0 3 317.436 3.387 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC001320967702 1107206303 /nfs/dbraw/zinc/20/63/03/1107206303.db2.gz NZFQSQRODITQTI-RTBURBONSA-N 0 3 317.429 3.021 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@H](C)C2CC2)cc1 ZINC001317368814 1107271785 /nfs/dbraw/zinc/27/17/85/1107271785.db2.gz GGRRTDKSIYVTKD-CQSZACIVSA-N 0 3 320.864 3.234 20 30 DGEDHN CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001317372822 1107275254 /nfs/dbraw/zinc/27/52/54/1107275254.db2.gz FOAUXKIKNPKYST-MRXNPFEDSA-N 0 3 318.486 3.220 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001317381935 1107290594 /nfs/dbraw/zinc/29/05/94/1107290594.db2.gz CCAJZIWIORDVRW-INDMIFKZSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001317381944 1107291063 /nfs/dbraw/zinc/29/10/63/1107291063.db2.gz CCAJZIWIORDVRW-YRXWBPOGSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2ccc(F)c(F)c2)C1 ZINC001321235606 1107296722 /nfs/dbraw/zinc/29/67/22/1107296722.db2.gz JCWYTZQADQCAMU-ARJAWSKDSA-N 0 3 320.383 3.083 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(F)ccc1CC ZINC001317396660 1107312031 /nfs/dbraw/zinc/31/20/31/1107312031.db2.gz AOXBPLMPLMJUEL-LBPRGKRZSA-N 0 3 312.816 3.239 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](C)C(C)(F)F ZINC001317434810 1107364009 /nfs/dbraw/zinc/36/40/09/1107364009.db2.gz LTIBNRMAZSBUBB-STQMWFEESA-N 0 3 322.827 3.391 20 30 DGEDHN C=CCCCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001317458357 1107409046 /nfs/dbraw/zinc/40/90/46/1107409046.db2.gz BZCUSMXJBWYKCV-QGZVFWFLSA-N 0 3 304.409 3.217 20 30 DGEDHN C=C1CCC(C(=O)NCCN(C)Cc2cccc(C)c2)CC1 ZINC001317459938 1107409994 /nfs/dbraw/zinc/40/99/94/1107409994.db2.gz PYFZPFDDSZKZBK-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001317465188 1107419294 /nfs/dbraw/zinc/41/92/94/1107419294.db2.gz JPSZYMKKQQAMRC-GOSISDBHSA-N 0 3 302.462 3.440 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001317485020 1107441101 /nfs/dbraw/zinc/44/11/01/1107441101.db2.gz OYVKBMWMVHTNIQ-ROUUACIJSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCCC#CC ZINC001281069343 1107462378 /nfs/dbraw/zinc/46/23/78/1107462378.db2.gz AFPUYRSBFZUAOW-HXUWFJFHSA-N 0 3 324.468 3.299 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001317508894 1107469973 /nfs/dbraw/zinc/46/99/73/1107469973.db2.gz GKZZCHUNAWZDOL-FUHWJXTLSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001317513558 1107476845 /nfs/dbraw/zinc/47/68/45/1107476845.db2.gz MEAAYHQTDIRINI-XLIONFOSSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1scnc1C1CCCC1 ZINC001322195918 1107565088 /nfs/dbraw/zinc/56/50/88/1107565088.db2.gz LFODFTZYCLWHSV-LBPRGKRZSA-N 0 3 307.463 3.037 20 30 DGEDHN CC#CCCCC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001317621453 1107568393 /nfs/dbraw/zinc/56/83/93/1107568393.db2.gz QBEDQFBINFXWJO-UHFFFAOYSA-N 0 3 312.413 3.174 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001262007137 1107569924 /nfs/dbraw/zinc/56/99/24/1107569924.db2.gz UVGRULJGSRXCBE-ZIAGYGMSSA-N 0 3 313.228 3.473 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001317722754 1107623228 /nfs/dbraw/zinc/62/32/28/1107623228.db2.gz ZMQOEEZRZMGGAT-HOTGVXAUSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)C(C)(F)F)c1ccccc1 ZINC001317727462 1107626455 /nfs/dbraw/zinc/62/64/55/1107626455.db2.gz SBSIEBSELSJAON-HNNXBMFYSA-N 0 3 322.399 3.138 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001317749094 1107634003 /nfs/dbraw/zinc/63/40/03/1107634003.db2.gz CZCBZTRBALTSTB-MRXNPFEDSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cc(C)no1 ZINC001322352629 1107645575 /nfs/dbraw/zinc/64/55/75/1107645575.db2.gz BDYAZILHIUAXLP-DOTOQJQBSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CCc2cccs2)C1 ZINC001317769814 1107654495 /nfs/dbraw/zinc/65/44/95/1107654495.db2.gz LCQHFBPYMDGOFZ-MRXNPFEDSA-N 0 3 318.486 3.017 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)c2cccnc2)C1 ZINC001317770873 1107657018 /nfs/dbraw/zinc/65/70/18/1107657018.db2.gz WPLWVUWOGSDUKA-SJLPKXTDSA-N 0 3 315.461 3.074 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCNCc1ccncc1Cl ZINC001322529620 1107698105 /nfs/dbraw/zinc/69/81/05/1107698105.db2.gz YNAUFJCLTOWKDI-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001317972726 1107775917 /nfs/dbraw/zinc/77/59/17/1107775917.db2.gz JXRCUCZQIRJEGW-GHOSXJJBSA-N 0 3 312.457 3.332 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1scnc1C)C1CC1 ZINC001323064093 1107821096 /nfs/dbraw/zinc/82/10/96/1107821096.db2.gz OSWQTXWRYXXNCB-YOEHRIQHSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001323065777 1107821663 /nfs/dbraw/zinc/82/16/63/1107821663.db2.gz WJIILAPZNDFLBE-HKUYNNGSSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2csc(C)n2)[C@H](CC)C1 ZINC001323131978 1107847886 /nfs/dbraw/zinc/84/78/86/1107847886.db2.gz WCPUDBVMZCIKIB-GDBMZVCRSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCC(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001318148992 1107860017 /nfs/dbraw/zinc/86/00/17/1107860017.db2.gz NCGHCTCMBDQLHL-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CSC ZINC001318190243 1107888959 /nfs/dbraw/zinc/88/89/59/1107888959.db2.gz IMLGOBAOQDAFIK-PMPSAXMXSA-N 0 3 312.523 3.241 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\CCC ZINC001318192717 1107889184 /nfs/dbraw/zinc/88/91/84/1107889184.db2.gz HCCCSDHYYOYWNR-AHHGJTGPSA-N 0 3 302.462 3.212 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/c1ccccc1 ZINC001318195967 1107893143 /nfs/dbraw/zinc/89/31/43/1107893143.db2.gz LFYCCWDAKZPUOO-RIZQAGQYSA-N 0 3 322.452 3.179 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001323258324 1107904265 /nfs/dbraw/zinc/90/42/65/1107904265.db2.gz IJKVQLHCVJEWPF-OAHLLOKOSA-N 0 3 323.868 3.229 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001323260249 1107906954 /nfs/dbraw/zinc/90/69/54/1107906954.db2.gz GDSJDOXLZWWUBC-MRXNPFEDSA-N 0 3 303.450 3.182 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001323302557 1107925603 /nfs/dbraw/zinc/92/56/03/1107925603.db2.gz PFPRHQXHZUNKFU-RDJZCZTQSA-N 0 3 315.461 3.364 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC001263079024 1107934447 /nfs/dbraw/zinc/93/44/47/1107934447.db2.gz CRAVYVZTLYNUTR-CHWSQXEVSA-N 0 3 317.458 3.027 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@H]1CCN(CCCF)C1)c1ccccc1 ZINC001318310562 1107939605 /nfs/dbraw/zinc/93/96/05/1107939605.db2.gz PCFJJGZNSLXQED-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001323339421 1107943043 /nfs/dbraw/zinc/94/30/43/1107943043.db2.gz GCNFCAPICWWQEW-CZUORRHYSA-N 0 3 306.837 3.499 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(Cl)s2)CC1 ZINC001323458173 1107980234 /nfs/dbraw/zinc/98/02/34/1107980234.db2.gz VNQBNUZJDHLYEX-UHFFFAOYSA-N 0 3 312.866 3.496 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001323458540 1107982655 /nfs/dbraw/zinc/98/26/55/1107982655.db2.gz YGAGLKXEEKCJLC-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](CC)c2ccccc2)C1 ZINC001318441813 1108007381 /nfs/dbraw/zinc/00/73/81/1108007381.db2.gz IOFKGCVOVZUZIP-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC=CCC2)cc1 ZINC001263307802 1108011064 /nfs/dbraw/zinc/01/10/64/1108011064.db2.gz LLBYXHMAURGWNB-CJNGLKHVSA-N 0 3 312.369 3.089 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC(C)(C)c2ccccc2)C1 ZINC001318446759 1108012969 /nfs/dbraw/zinc/01/29/69/1108012969.db2.gz XZKKSIWMKFVKPI-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN Cc1ccccc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001323683883 1108051712 /nfs/dbraw/zinc/05/17/12/1108051712.db2.gz HTNXXOXZVDKVMI-UXHICEINSA-N 0 3 324.468 3.220 20 30 DGEDHN CCO[C@H](C(=O)C(C#N)c1ncc(Cl)n1C)c1ccccc1 ZINC001263616181 1108110331 /nfs/dbraw/zinc/11/03/31/1108110331.db2.gz PUJOGLVHISBPDB-DOMZBBRYSA-N 0 3 317.776 3.028 20 30 DGEDHN CC(C)CN(C(=O)CC#Cc1ccccc1)C1CCN(C)CC1 ZINC001324013690 1108146367 /nfs/dbraw/zinc/14/63/67/1108146367.db2.gz YBGKKNIKUJHIPB-UHFFFAOYSA-N 0 3 312.457 3.007 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)c1ccc(C)o1)C1CC1 ZINC001318715884 1108165822 /nfs/dbraw/zinc/16/58/22/1108165822.db2.gz AAGTYOXJJMRWPW-DYVFJYSZSA-N 0 3 324.852 3.319 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccccn2)CCCC[C@H]1C ZINC001318745546 1108180008 /nfs/dbraw/zinc/18/00/08/1108180008.db2.gz YXQWMCNEFIXWCH-CXAGYDPISA-N 0 3 321.852 3.102 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(C(F)F)CC2)C1 ZINC001318794318 1108199386 /nfs/dbraw/zinc/19/93/86/1108199386.db2.gz OQHMCKYFLNQEFF-LBPRGKRZSA-N 0 3 320.811 3.003 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C1CCCC1 ZINC001263805084 1108209791 /nfs/dbraw/zinc/20/97/91/1108209791.db2.gz LCDBFAJYDOANNO-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001263814804 1108222105 /nfs/dbraw/zinc/22/21/05/1108222105.db2.gz LWKYUPSKBGKJKQ-MRXNPFEDSA-N 0 3 319.449 3.184 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001263827351 1108240203 /nfs/dbraw/zinc/24/02/03/1108240203.db2.gz ASSMDIZDKIRGMS-KCQAQPDRSA-N 0 3 322.399 3.476 20 30 DGEDHN C[C@@H](C#N)C(=O)NC1(C)CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001324301533 1108242872 /nfs/dbraw/zinc/24/28/72/1108242872.db2.gz MMPLJOANJYNRFS-KBPBESRZSA-N 0 3 317.408 3.017 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001324335104 1108254471 /nfs/dbraw/zinc/25/44/71/1108254471.db2.gz PLCOQGRLSYTBQJ-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001263871582 1108274314 /nfs/dbraw/zinc/27/43/14/1108274314.db2.gz KNULPCIYEDQFCA-JCNLHEQBSA-N 0 3 318.436 3.475 20 30 DGEDHN C#CCCCC(=O)N[C@@H](CNCC#C)c1ccc2ccccc2c1 ZINC001324441905 1108289940 /nfs/dbraw/zinc/28/99/40/1108289940.db2.gz SDDVETXJCCZYCS-FQEVSTJZSA-N 0 3 318.420 3.023 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ccns1)C1CCCC1 ZINC001324493722 1108313805 /nfs/dbraw/zinc/31/38/05/1108313805.db2.gz DCCKAXFMAFLQOA-HNNXBMFYSA-N 0 3 321.490 3.120 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)[C@H]1CC ZINC001264073202 1108368263 /nfs/dbraw/zinc/36/82/63/1108368263.db2.gz MDEHGKMEPRNMHL-HMTUNPETSA-N 0 3 310.441 3.001 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001324668765 1108414281 /nfs/dbraw/zinc/41/42/81/1108414281.db2.gz IMLXGMCNEHNIIZ-LPHOPBHVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001324668767 1108415196 /nfs/dbraw/zinc/41/51/96/1108415196.db2.gz IMLXGMCNEHNIIZ-VQIMIIECSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CC[C@](C)(NC(=O)c2cnc(C(C)C)s2)C1 ZINC001324680075 1108422142 /nfs/dbraw/zinc/42/21/42/1108422142.db2.gz HPLFZDBZETVLDH-KRWDZBQOSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C[C@H](COC)NCc1ccnc2c(Br)cccc12 ZINC001324693003 1108428746 /nfs/dbraw/zinc/42/87/46/1108428746.db2.gz OHQMFSYQUSGMCS-GFCCVEGCSA-N 0 3 321.218 3.288 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001264366937 1108474476 /nfs/dbraw/zinc/47/44/76/1108474476.db2.gz OCKCIQZOYKWAHS-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C#CCN(Cc1cc2c(c(Br)c1)OCO2)CC1CC1 ZINC001319458673 1108478305 /nfs/dbraw/zinc/47/83/05/1108478305.db2.gz QCBFLFJMDQCLOE-UHFFFAOYSA-N 0 3 322.202 3.023 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319510484 1108499436 /nfs/dbraw/zinc/49/94/36/1108499436.db2.gz KLFJAMUPTQEDFT-KRWDZBQOSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCCC(=O)NC[C@@]1(C)CCCN(Cc2cnccc2C)C1 ZINC001324919269 1108511308 /nfs/dbraw/zinc/51/13/08/1108511308.db2.gz DHZNTGBMDNXRRF-LJQANCHMSA-N 0 3 315.461 3.075 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001324937265 1108523509 /nfs/dbraw/zinc/52/35/09/1108523509.db2.gz STJYAMCFPDTMSK-IEBWSBKVSA-N 0 3 316.489 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001324937264 1108523647 /nfs/dbraw/zinc/52/36/47/1108523647.db2.gz STJYAMCFPDTMSK-HKUYNNGSSA-N 0 3 316.489 3.198 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001324942856 1108525493 /nfs/dbraw/zinc/52/54/93/1108525493.db2.gz AVUIUNOKBXQGFQ-AWEZNQCLSA-N 0 3 318.383 3.123 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001324971178 1108542225 /nfs/dbraw/zinc/54/22/25/1108542225.db2.gz FOVKVTZXYSIGMQ-QFBILLFUSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001324975706 1108546324 /nfs/dbraw/zinc/54/63/24/1108546324.db2.gz IEDMAUNVFIPIBQ-LJQANCHMSA-N 0 3 318.436 3.460 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC001325118456 1108579843 /nfs/dbraw/zinc/57/98/43/1108579843.db2.gz VWPOFJFFPKTPJA-KRWDZBQOSA-N 0 3 315.392 3.003 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)[C@H]21 ZINC001264587008 1108581297 /nfs/dbraw/zinc/58/12/97/1108581297.db2.gz WUTLYISKGJQWBX-NXHRZFHOSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)[C@H]1CC ZINC001264618887 1108595387 /nfs/dbraw/zinc/59/53/87/1108595387.db2.gz XSACHWOIFCAJSC-FHLIZLRMSA-N 0 3 318.436 3.474 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001319724147 1108611311 /nfs/dbraw/zinc/61/13/11/1108611311.db2.gz PTRKLYIDJYXMRS-ZDUSSCGKSA-N 0 3 312.866 3.475 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)[C@@H]1C ZINC001264700072 1108625197 /nfs/dbraw/zinc/62/51/97/1108625197.db2.gz QYMRKTVKFPVSDC-UZLBHIALSA-N 0 3 324.468 3.302 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2F)[C@H]1C ZINC001264723599 1108633685 /nfs/dbraw/zinc/63/36/85/1108633685.db2.gz NJHMLMMXGXYHHD-RKVPGOIHSA-N 0 3 318.436 3.474 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(C)CC(=C)C1)c1ccccc1CC ZINC001325365044 1108635543 /nfs/dbraw/zinc/63/55/43/1108635543.db2.gz GELWSZDKRWKXMZ-IBGZPJMESA-N 0 3 324.468 3.376 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1CC ZINC001325367308 1108636598 /nfs/dbraw/zinc/63/65/98/1108636598.db2.gz SNXJPLSLJQCYIN-QAPCUYQASA-N 0 3 302.462 3.474 20 30 DGEDHN C[C@H](NCc1cccc(OCC#N)c1)c1ccc2c(c1)CCO2 ZINC001319896655 1108683556 /nfs/dbraw/zinc/68/35/56/1108683556.db2.gz SIASOSOJONQYDT-AWEZNQCLSA-N 0 3 308.381 3.375 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C ZINC001319907225 1108689985 /nfs/dbraw/zinc/68/99/85/1108689985.db2.gz RIOZEIDHQAKZFC-BBRMVZONSA-N 0 3 321.852 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC001319938200 1108703841 /nfs/dbraw/zinc/70/38/41/1108703841.db2.gz ZTFMUWVYBAWIPY-UONOGXRCSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCc1ccoc1 ZINC001265084087 1108727046 /nfs/dbraw/zinc/72/70/46/1108727046.db2.gz XFIIWFKEERBTCI-GOEBONIOSA-N 0 3 324.852 3.324 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001265205439 1108776197 /nfs/dbraw/zinc/77/61/97/1108776197.db2.gz IZPCWSASKUYXDS-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC001265205433 1108776278 /nfs/dbraw/zinc/77/62/78/1108776278.db2.gz IYEWXWJIBALSAV-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001265305667 1108817582 /nfs/dbraw/zinc/81/75/82/1108817582.db2.gz BGYAXVSMOJWDRM-ROUUACIJSA-N 0 3 300.446 3.193 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(CC)CCCCC2)CC1 ZINC001265336284 1108830995 /nfs/dbraw/zinc/83/09/95/1108830995.db2.gz VIMBIYOSEHVKDG-QGZVFWFLSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1ccc(F)cc1Cl)C1CC1 ZINC001265348189 1108838762 /nfs/dbraw/zinc/83/87/62/1108838762.db2.gz NFLYPLWKBFYZFL-MRXNPFEDSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001265432144 1108870329 /nfs/dbraw/zinc/87/03/29/1108870329.db2.gz AZTCUZLPNYYMBU-CABCVRRESA-N 0 3 304.409 3.434 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001265584957 1108919950 /nfs/dbraw/zinc/91/99/50/1108919950.db2.gz YBIFEMBVDGMXRA-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CCCC2CCCCC2)C1 ZINC001265594678 1108926544 /nfs/dbraw/zinc/92/65/44/1108926544.db2.gz HXIPCYBFGGRWFH-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001265650097 1108949439 /nfs/dbraw/zinc/94/94/39/1108949439.db2.gz ZTIWOXSAUIRASS-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001265654040 1108951935 /nfs/dbraw/zinc/95/19/35/1108951935.db2.gz MKXBFVKRUUKGAL-SBHAEUEKSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(CC)(CC)CC)C1 ZINC001265707480 1108977337 /nfs/dbraw/zinc/97/73/37/1108977337.db2.gz BBULNOMZTUAZFS-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CCC)CCC2)C1 ZINC001265706508 1108978266 /nfs/dbraw/zinc/97/82/66/1108978266.db2.gz WUUJZCBAOHJGJD-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001265705987 1108978382 /nfs/dbraw/zinc/97/83/82/1108978382.db2.gz PJYCKNHJPDHAEC-CRAIPNDOSA-N 0 3 316.489 3.053 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001265987818 1109057278 /nfs/dbraw/zinc/05/72/78/1109057278.db2.gz GUAMSQOJQOWDJI-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001266102075 1109090274 /nfs/dbraw/zinc/09/02/74/1109090274.db2.gz BYIXJMSAAFPZID-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1nsc2ccccc21 ZINC001266147352 1109108048 /nfs/dbraw/zinc/10/80/48/1109108048.db2.gz ZIOGFKRTJVPEOQ-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCCC1(C)C ZINC001266191415 1109121370 /nfs/dbraw/zinc/12/13/70/1109121370.db2.gz BXARQQIDLYNDMK-KBPBESRZSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@H]1CCCN1Cc1cnc(C)o1 ZINC001266220336 1109131070 /nfs/dbraw/zinc/13/10/70/1109131070.db2.gz SEWNBPWVEAQFQN-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001280219336 1109180442 /nfs/dbraw/zinc/18/04/42/1109180442.db2.gz KLSZVZFYJFDCBT-GJZGRUSLSA-N 0 3 324.852 3.272 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001280324864 1109186065 /nfs/dbraw/zinc/18/60/65/1109186065.db2.gz LUMMHPKXZNTVPY-BWTSREIZSA-N 0 3 312.457 3.357 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc[nH]c2C(C)C)cc1 ZINC001280353937 1109189379 /nfs/dbraw/zinc/18/93/79/1109189379.db2.gz DZOKZPNRDMYVLR-OAHLLOKOSA-N 0 3 323.440 3.352 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001280822867 1109260036 /nfs/dbraw/zinc/26/00/36/1109260036.db2.gz STCVXARMBNGXET-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001280863452 1109265347 /nfs/dbraw/zinc/26/53/47/1109265347.db2.gz AHRBERNOPAPEOI-KRWDZBQOSA-N 0 3 314.473 3.156 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C=C(/C)CC)C1 ZINC001280889050 1109270009 /nfs/dbraw/zinc/27/00/09/1109270009.db2.gz IWEGQQUMXNPHTG-IMNWASJXSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001316608001 1109285479 /nfs/dbraw/zinc/28/54/79/1109285479.db2.gz UWRPZBNKGFLXAW-ZDUSSCGKSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001281072149 1109299543 /nfs/dbraw/zinc/29/95/43/1109299543.db2.gz NFMAFTLWQRRFPD-GOSISDBHSA-N 0 3 300.446 3.294 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)CCOCC)cc2C1 ZINC001281292597 1109324428 /nfs/dbraw/zinc/32/44/28/1109324428.db2.gz FIMYVZQOJLVEIC-UHFFFAOYSA-N 0 3 316.445 3.011 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)cc(OC)c1C ZINC001281949353 1109419803 /nfs/dbraw/zinc/41/98/03/1109419803.db2.gz IQOORAVIMZLDMO-INIZCTEOSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1 ZINC001281955371 1109420992 /nfs/dbraw/zinc/42/09/92/1109420992.db2.gz MECILSGNHHQLBX-OAHLLOKOSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(OC)cc1Cl ZINC001281956279 1109421980 /nfs/dbraw/zinc/42/19/80/1109421980.db2.gz YOCUDUNHFLENDS-ZDUSSCGKSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001282015833 1109430814 /nfs/dbraw/zinc/43/08/14/1109430814.db2.gz OXGPXNULXSVECM-DNOWBOINSA-N 0 3 300.874 3.296 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001282116652 1109453272 /nfs/dbraw/zinc/45/32/72/1109453272.db2.gz YOYNMQLVARUOAB-YDYWWVRFSA-N 0 3 318.848 3.141 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NCc1sccc1Cl ZINC001282129112 1109454598 /nfs/dbraw/zinc/45/45/98/1109454598.db2.gz PRUBVCRFLHIPLJ-NEPJUHHUSA-N 0 3 312.866 3.044 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cccc(C(C)C)n1 ZINC001282170153 1109462094 /nfs/dbraw/zinc/46/20/94/1109462094.db2.gz YAAZUSBKTXUUTC-HUUCEWRRSA-N 0 3 317.477 3.400 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2cnc(C)s2)CCC1 ZINC001282182565 1109464157 /nfs/dbraw/zinc/46/41/57/1109464157.db2.gz DMLJNAVZYOSKEH-CHWSQXEVSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2cnc(C)s2)CCC1 ZINC001282182566 1109464188 /nfs/dbraw/zinc/46/41/88/1109464188.db2.gz DMLJNAVZYOSKEH-OLZOCXBDSA-N 0 3 321.490 3.181 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001282186097 1109465607 /nfs/dbraw/zinc/46/56/07/1109465607.db2.gz RXDPJBOEXUTQFD-HUUCEWRRSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2cncs2)CCCC1 ZINC001282245150 1109475792 /nfs/dbraw/zinc/47/57/92/1109475792.db2.gz VREAJKNFTKQIHB-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)[C@@H](C)c1cccc(OC)c1 ZINC001282444429 1109510660 /nfs/dbraw/zinc/51/06/60/1109510660.db2.gz QSEGFKOVSVYQHH-GJZGRUSLSA-N 0 3 318.461 3.405 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001282478557 1109521224 /nfs/dbraw/zinc/52/12/24/1109521224.db2.gz RCXFLQSQHXMPFA-AEFFLSMTSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001282693541 1109553475 /nfs/dbraw/zinc/55/34/75/1109553475.db2.gz PDKODECGXMNPIS-INIZCTEOSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001282693542 1109553560 /nfs/dbraw/zinc/55/35/60/1109553560.db2.gz PDKODECGXMNPIS-MRXNPFEDSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@]2(C1)CN(CCC(C)(C)C)CCO2 ZINC001282781594 1109563580 /nfs/dbraw/zinc/56/35/80/1109563580.db2.gz LXFFUAWXTBHSCJ-IBGZPJMESA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001283102497 1109594668 /nfs/dbraw/zinc/59/46/68/1109594668.db2.gz QXCULARSWCIPIR-JYJNAYRXSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1cc(C)ccc1C ZINC001283230672 1109605013 /nfs/dbraw/zinc/60/50/13/1109605013.db2.gz APLSUKPVJAUPDU-INIZCTEOSA-N 0 3 322.880 3.473 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001283240887 1109606073 /nfs/dbraw/zinc/60/60/73/1109606073.db2.gz WWSMIRCPVJPVMG-QWHCGFSZSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](NCc1cc(C)on1)C(C)C ZINC001283452735 1109636734 /nfs/dbraw/zinc/63/67/34/1109636734.db2.gz SQUWCRKDYCUTCV-MRXNPFEDSA-N 0 3 321.465 3.206 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1coc2ccc(CC)cc12 ZINC001283612085 1109660622 /nfs/dbraw/zinc/66/06/22/1109660622.db2.gz NHJFZQOVMIIMJD-AWEZNQCLSA-N 0 3 312.413 3.069 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@H]1C ZINC001283964571 1109706581 /nfs/dbraw/zinc/70/65/81/1109706581.db2.gz LDVHAKZOCGPQFA-HIFRSBDPSA-N 0 3 306.837 3.385 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(Cl)cc2)[C@@H]1C ZINC001284129100 1109743284 /nfs/dbraw/zinc/74/32/84/1109743284.db2.gz GCIQEURJZOLZHG-YOEHRIQHSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNCc2nc(C)cs2)C1 ZINC001284208887 1109758637 /nfs/dbraw/zinc/75/86/37/1109758637.db2.gz JFZQTYDNOUESOS-KGLIPLIRSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1cccc(F)c1)C(C)C ZINC001284557305 1109812024 /nfs/dbraw/zinc/81/20/24/1109812024.db2.gz BSKCYLOWJFWJKD-OAHLLOKOSA-N 0 3 306.425 3.284 20 30 DGEDHN C=C(Br)CNC[C@@H](NC(=O)CCCC)C(C)(C)C ZINC001284566960 1109815052 /nfs/dbraw/zinc/81/50/52/1109815052.db2.gz YWNYGYASQDIORM-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001284651754 1109833905 /nfs/dbraw/zinc/83/39/05/1109833905.db2.gz AZXBMCHORAGICT-NVXWUHKLSA-N 0 3 320.452 3.436 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001316645173 1110159222 /nfs/dbraw/zinc/15/92/22/1110159222.db2.gz OGVKXUDKAWATBY-RYQLBKOJSA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001317234047 1111095620 /nfs/dbraw/zinc/09/56/20/1111095620.db2.gz FREGMLWMLDHHMH-CQSZACIVSA-N 0 3 306.837 3.046 20 30 DGEDHN CN1CCCC(C)(C)[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC001307109660 1111267009 /nfs/dbraw/zinc/26/70/09/1111267009.db2.gz CXZIAXGXPWDLDC-HNNXBMFYSA-N 0 3 320.368 3.138 20 30 DGEDHN C#CCN(C[C@@H]1CN(C2CCCCC2)C(=O)O1)C1CCCCC1 ZINC001307445281 1111300560 /nfs/dbraw/zinc/30/05/60/1111300560.db2.gz YAQJQXDKOHROCJ-GOSISDBHSA-N 0 3 318.461 3.408 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001307873155 1111348765 /nfs/dbraw/zinc/34/87/65/1111348765.db2.gz SNABTTNBJNBBGJ-PBHICJAKSA-N 0 3 316.832 3.181 20 30 DGEDHN C=CCN([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001307938253 1111357719 /nfs/dbraw/zinc/35/77/19/1111357719.db2.gz JMYAPALBLKYARS-QGZVFWFLSA-N 0 3 311.429 3.340 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C2CCC2)C1 ZINC001307947364 1111359247 /nfs/dbraw/zinc/35/92/47/1111359247.db2.gz PSRGCAAHZFOYQL-WMLDXEAASA-N 0 3 311.429 3.397 20 30 DGEDHN Cc1cncc([C@H]2CCCN2C[C@H](O)c2cccc(C#N)c2)c1 ZINC001308018156 1111367155 /nfs/dbraw/zinc/36/71/55/1111367155.db2.gz AYQQCVYAJKOLFL-MOPGFXCFSA-N 0 3 307.397 3.132 20 30 DGEDHN C[C@@H]1CC[C@@](CO)(NCc2ccc(C#N)cc2)c2ccccc21 ZINC001308157650 1111387121 /nfs/dbraw/zinc/38/71/21/1111387121.db2.gz HAOUXUOALPNFCS-QRWLVFNGSA-N 0 3 306.409 3.433 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(-c3cnn(C)c3)s2)c1 ZINC001308435075 1111428610 /nfs/dbraw/zinc/42/86/10/1111428610.db2.gz GHAYDBFKZQRXAA-UHFFFAOYSA-N 0 3 307.422 3.420 20 30 DGEDHN C=CCCSCCNCc1cc(F)c(N(C)C)cc1F ZINC001308457885 1111430750 /nfs/dbraw/zinc/43/07/50/1111430750.db2.gz LUAQAEVVVAVXIB-UHFFFAOYSA-N 0 3 300.418 3.430 20 30 DGEDHN C#CCCCCCCN[C@H](CC(N)=O)c1ccccc1Cl ZINC001308674762 1111459211 /nfs/dbraw/zinc/45/92/11/1111459211.db2.gz VSTXAHBIYQCATE-MRXNPFEDSA-N 0 3 306.837 3.430 20 30 DGEDHN N#CC1(CNC2CC(c3cc(F)cc(F)c3)C2)CCOCC1 ZINC001308976884 1111503305 /nfs/dbraw/zinc/50/33/05/1111503305.db2.gz LETQEERGUGDSGU-UHFFFAOYSA-N 0 3 306.356 3.121 20 30 DGEDHN C#CCCOC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001309614029 1111533261 /nfs/dbraw/zinc/53/32/61/1111533261.db2.gz CAJVTEBGJLASTR-GOSISDBHSA-N 0 3 314.429 3.131 20 30 DGEDHN C#CCCOC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001309614030 1111533311 /nfs/dbraw/zinc/53/33/11/1111533311.db2.gz CAJVTEBGJLASTR-SFHVURJKSA-N 0 3 314.429 3.131 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1 ZINC001316699524 1111720569 /nfs/dbraw/zinc/72/05/69/1111720569.db2.gz QKMDKPSNQATGOE-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN CC[C@@H](F)CNC[C@@H]1C[C@H](C)CCN1C(=O)C#CC(C)(C)C ZINC001316700133 1111728233 /nfs/dbraw/zinc/72/82/33/1111728233.db2.gz YRRYSIGUJFTSFH-OAGGEKHMSA-N 0 3 310.457 3.001 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](Cc2ccccc2)C(C)C)[C@H]1C ZINC001316793571 1111768355 /nfs/dbraw/zinc/76/83/55/1111768355.db2.gz ZIOUIUMMLVSONL-QRQLOZEOSA-N 0 3 314.473 3.266 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccco1 ZINC000359538414 529374869 /nfs/dbraw/zinc/37/48/69/529374869.db2.gz BAQZTCVQORKPKM-CABCVRRESA-N 0 3 317.433 3.299 20 30 DGEDHN Cc1nnc(SCCN(C)Cc2ccccc2)c(C#N)c1C ZINC000278494508 214191188 /nfs/dbraw/zinc/19/11/88/214191188.db2.gz BUEYYLDTDGYNPF-UHFFFAOYSA-N 0 3 312.442 3.189 20 30 DGEDHN CC[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000343657077 529397287 /nfs/dbraw/zinc/39/72/87/529397287.db2.gz KLALILLIJBHBHG-QGZVFWFLSA-N 0 3 302.418 3.370 20 30 DGEDHN C=CC[C@@H]1N(Cc2ccc(C(=O)N(C)C)[nH]2)CCCC1(C)C ZINC000278687068 214327184 /nfs/dbraw/zinc/32/71/84/214327184.db2.gz MNOFDDHWQKQTHW-INIZCTEOSA-N 0 3 303.450 3.283 20 30 DGEDHN Cc1nsc(N[C@H](C)CN(C)Cc2ccccc2)c1C#N ZINC000309930027 231108360 /nfs/dbraw/zinc/10/83/60/231108360.db2.gz YSNOJDPDYFVONN-GFCCVEGCSA-N 0 3 300.431 3.256 20 30 DGEDHN Cc1cccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000321417023 231202363 /nfs/dbraw/zinc/20/23/63/231202363.db2.gz CBJMKXDCOCAQTK-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN CC[C@@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348459688 529458134 /nfs/dbraw/zinc/45/81/34/529458134.db2.gz GYSLMFQMOCZDPF-KGLIPLIRSA-N 0 3 323.318 3.088 20 30 DGEDHN CC[C@@H](Cc1ccccc1Br)NC(=O)C(C)C#N ZINC000347988868 529545469 /nfs/dbraw/zinc/54/54/69/529545469.db2.gz AOBDRACWCLHMNB-JQWIXIFHSA-N 0 3 309.207 3.046 20 30 DGEDHN CCc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428801058 529642056 /nfs/dbraw/zinc/64/20/56/529642056.db2.gz HMOHMJKUAGEWGE-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN CCc1nc(C(=O)NCC(C)(C)N2CCC[C@H](CC)C2)co1 ZINC000330871476 529705059 /nfs/dbraw/zinc/70/50/59/529705059.db2.gz ZXJGTCXSVBWVQN-ZDUSSCGKSA-N 0 3 307.438 3.442 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1 ZINC000413815203 529718597 /nfs/dbraw/zinc/71/85/97/529718597.db2.gz PUUQYIQIQAUQBI-BSXFFOKHSA-N 0 3 313.445 3.191 20 30 DGEDHN C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000181459073 199299856 /nfs/dbraw/zinc/29/98/56/199299856.db2.gz OHWPNWOFAVTPRE-OAHLLOKOSA-N 0 3 306.413 3.404 20 30 DGEDHN CN(CC(=O)NC1(C#N)CCC1)C1CCC(C(C)(C)C)CC1 ZINC000346846038 529831604 /nfs/dbraw/zinc/83/16/04/529831604.db2.gz ZBLWHHYLDXYPIV-UHFFFAOYSA-N 0 3 305.466 3.086 20 30 DGEDHN CN(CCC#N)c1ccc(CNCCOCc2ccccc2)cc1 ZINC000177581748 529870316 /nfs/dbraw/zinc/87/03/16/529870316.db2.gz INLDVLSXJUWMRG-UHFFFAOYSA-N 0 3 323.440 3.343 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433218925 529983857 /nfs/dbraw/zinc/98/38/57/529983857.db2.gz GNOJGBWIWOFTAK-LJQANCHMSA-N 0 3 317.392 3.289 20 30 DGEDHN CNCc1cccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000415945058 530008292 /nfs/dbraw/zinc/00/82/92/530008292.db2.gz QGZPYPDNHUOYTH-UHFFFAOYSA-N 0 3 320.396 3.088 20 30 DGEDHN Cc1nsc(NC[C@@H](c2cccc(F)c2)N(C)C)c1C#N ZINC000286854815 219195917 /nfs/dbraw/zinc/19/59/17/219195917.db2.gz GQLUCGCYAUTARS-AWEZNQCLSA-N 0 3 304.394 3.177 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCCc2ccc(C)cc2)CC1 ZINC000106035976 432019256 /nfs/dbraw/zinc/01/92/56/432019256.db2.gz USOZAZYTVWDLRU-UHFFFAOYSA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCCc2cccs2)CC1 ZINC000106040479 432020039 /nfs/dbraw/zinc/02/00/39/432020039.db2.gz KADYLLUUTBCMCM-UHFFFAOYSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CSC)cc2)CC1 ZINC000106037883 432020062 /nfs/dbraw/zinc/02/00/62/432020062.db2.gz JCUBYQDADJPVLF-UHFFFAOYSA-N 0 3 318.486 3.320 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000106341179 432020133 /nfs/dbraw/zinc/02/01/33/432020133.db2.gz MTHYFMMKFDTADV-OAHLLOKOSA-N 0 3 313.445 3.188 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ccc2F)CC1 ZINC000106038226 432020170 /nfs/dbraw/zinc/02/01/70/432020170.db2.gz BQGCFCSMZZABPS-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000106315911 432020398 /nfs/dbraw/zinc/02/03/98/432020398.db2.gz VNBSWUBYLJYDPX-UHFFFAOYSA-N 0 3 301.434 3.465 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CSc2ccc(F)cc2)CC1 ZINC000106040695 432020746 /nfs/dbraw/zinc/02/07/46/432020746.db2.gz RHDOOJGYHVAODE-UHFFFAOYSA-N 0 3 322.449 3.075 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000106039971 432020772 /nfs/dbraw/zinc/02/07/72/432020772.db2.gz MJJSSENKDOVSSA-UHFFFAOYSA-N 0 3 324.371 3.058 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000106039702 432020908 /nfs/dbraw/zinc/02/09/08/432020908.db2.gz PLNPYBBJHAEYHJ-UHFFFAOYSA-N 0 3 324.371 3.058 20 30 DGEDHN CC(C)C[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000130339292 432021483 /nfs/dbraw/zinc/02/14/83/432021483.db2.gz YSTIDVSHTTXTDW-GOSISDBHSA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@H](NCCOc1ccc(Cl)cn1)c1cccc(C#N)c1 ZINC000182017096 199375706 /nfs/dbraw/zinc/37/57/06/199375706.db2.gz PBICQGBTMQJSSG-LBPRGKRZSA-N 0 3 301.777 3.336 20 30 DGEDHN CN1CCC(CCO)(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000329100227 282694268 /nfs/dbraw/zinc/69/42/68/282694268.db2.gz MMHUTAPJQSFBNB-YESZJQIVSA-N 0 3 322.493 3.396 20 30 DGEDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1C#N ZINC000172688562 198136911 /nfs/dbraw/zinc/13/69/11/198136911.db2.gz CKKCLYOZIQPHQS-ZDUSSCGKSA-N 0 3 324.380 3.189 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2sccc2SC)CC1 ZINC000107256380 432029260 /nfs/dbraw/zinc/02/92/60/432029260.db2.gz KZPGTKMYPCYQNN-UHFFFAOYSA-N 0 3 310.488 3.240 20 30 DGEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)o1)c1ccsc1 ZINC000174267334 198312679 /nfs/dbraw/zinc/31/26/79/198312679.db2.gz GGVKLTHBINIVNO-INIZCTEOSA-N 0 3 303.431 3.385 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000174508280 198343613 /nfs/dbraw/zinc/34/36/13/198343613.db2.gz BPWWOSMYAALNAM-DLBZAZTESA-N 0 3 300.402 3.004 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000174508313 198344101 /nfs/dbraw/zinc/34/41/01/198344101.db2.gz BPWWOSMYAALNAM-SJORKVTESA-N 0 3 300.402 3.004 20 30 DGEDHN N#Cc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1 ZINC000174647082 198364745 /nfs/dbraw/zinc/36/47/45/198364745.db2.gz CTPRBJKRIAOOSP-UHFFFAOYSA-N 0 3 310.372 3.493 20 30 DGEDHN CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000357826530 283013888 /nfs/dbraw/zinc/01/38/88/283013888.db2.gz LUWTUYZVYOOEQO-WMZOPIPTSA-N 0 3 313.445 3.049 20 30 DGEDHN Cc1cc(C)cc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c1 ZINC000073649456 191336556 /nfs/dbraw/zinc/33/65/56/191336556.db2.gz KRCOAPMKUWDLPQ-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000132328546 432048694 /nfs/dbraw/zinc/04/86/94/432048694.db2.gz FKNGAGVBCIVUDQ-NVXWUHKLSA-N 0 3 313.445 3.048 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000133539612 432066326 /nfs/dbraw/zinc/06/63/26/432066326.db2.gz ULNKLMZKTPFCJZ-MOPGFXCFSA-N 0 3 319.408 3.423 20 30 DGEDHN N#Cc1ccc([C@H](N[C@H]2CCC[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000134005150 432073282 /nfs/dbraw/zinc/07/32/82/432073282.db2.gz HNYKMNXJEFXFCK-FHWLQOOXSA-N 0 3 319.408 3.011 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCSC2(CCOCC2)C1 ZINC000186821989 200017526 /nfs/dbraw/zinc/01/75/26/200017526.db2.gz NSFPHLZBUUBSIN-CQSZACIVSA-N 0 3 302.443 3.217 20 30 DGEDHN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000187683995 200144540 /nfs/dbraw/zinc/14/45/40/200144540.db2.gz ZXCLEYGOJZWYKR-KBXCAEBGSA-N 0 3 323.444 3.240 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN[C@H]3CCCOC3)c2)c1 ZINC000237849095 202369816 /nfs/dbraw/zinc/36/98/16/202369816.db2.gz IADOCCGZYAMMIW-IBGZPJMESA-N 0 3 322.408 3.406 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc(C)n1 ZINC000422115875 237782230 /nfs/dbraw/zinc/78/22/30/237782230.db2.gz CUKOLOJDXHHBHD-AWEZNQCLSA-N 0 3 324.340 3.109 20 30 DGEDHN Cc1cc(NC2CCN([C@@H](C)c3ccccc3)CC2)c(C#N)cn1 ZINC000425222240 237930650 /nfs/dbraw/zinc/93/06/50/237930650.db2.gz GOECWNQZSAVMDJ-INIZCTEOSA-N 0 3 320.440 3.321 20 30 DGEDHN N#Cc1csc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000428531896 238024326 /nfs/dbraw/zinc/02/43/26/238024326.db2.gz DURYYDWMTMNNJO-SJORKVTESA-N 0 3 316.401 3.015 20 30 DGEDHN N#Cc1csc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000428531883 238024614 /nfs/dbraw/zinc/02/46/14/238024614.db2.gz DURYYDWMTMNNJO-DLBZAZTESA-N 0 3 316.401 3.015 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(CCCc3ccsc3)C2)nc1 ZINC000428779331 238031258 /nfs/dbraw/zinc/03/12/58/238031258.db2.gz LBBMYGQDKVOPCA-MRXNPFEDSA-N 0 3 313.426 3.101 20 30 DGEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000429583344 238056032 /nfs/dbraw/zinc/05/60/32/238056032.db2.gz KCULMNMPFCSPTR-BXUZGUMPSA-N 0 3 305.809 3.271 20 30 DGEDHN N#CCC1(CNCc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000430020198 238064747 /nfs/dbraw/zinc/06/47/47/238064747.db2.gz JEVHSZNTYYCSRE-KRWDZBQOSA-N 0 3 300.402 3.028 20 30 DGEDHN N#Cc1cc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc1F ZINC000134927929 432091457 /nfs/dbraw/zinc/09/14/57/432091457.db2.gz UDYLFWKVAUCAEY-BEFAXECRSA-N 0 3 313.420 3.146 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000433117283 238147519 /nfs/dbraw/zinc/14/75/19/238147519.db2.gz UCMAVRXNAQNQEM-SFHVURJKSA-N 0 3 304.393 3.344 20 30 DGEDHN COCCN(Cc1ccc(CC#N)cc1)[C@@H]1CCCSC1 ZINC000433186417 238149414 /nfs/dbraw/zinc/14/94/14/238149414.db2.gz JIXUXCOGSGGPKH-QGZVFWFLSA-N 0 3 304.459 3.097 20 30 DGEDHN Cc1ccccc1OCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433297821 238154073 /nfs/dbraw/zinc/15/40/73/238154073.db2.gz MMZBVJKZGQBELV-GOSISDBHSA-N 0 3 322.408 3.263 20 30 DGEDHN O[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C12CCCC2 ZINC000433303119 238154771 /nfs/dbraw/zinc/15/47/71/238154771.db2.gz KMKZHGILSKCOLF-INIZCTEOSA-N 0 3 323.358 3.436 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000433354345 238156952 /nfs/dbraw/zinc/15/69/52/238156952.db2.gz NZJLVGPISXRJSX-IAGOWNOFSA-N 0 3 322.412 3.236 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000170982733 432093080 /nfs/dbraw/zinc/09/30/80/432093080.db2.gz BKMUOHCNOKWJRM-KRWDZBQOSA-N 0 3 312.457 3.263 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000271957534 209340627 /nfs/dbraw/zinc/34/06/27/209340627.db2.gz QJGODTANPLEWCR-BDJLRTHQSA-N 0 3 304.390 3.317 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc4[nH]ccc43)C2)nc1 ZINC000292829104 223263198 /nfs/dbraw/zinc/26/31/98/223263198.db2.gz QZKDDWUWDLYEEU-MRXNPFEDSA-N 0 3 318.380 3.088 20 30 DGEDHN N#C[C@H]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000442869171 239140928 /nfs/dbraw/zinc/14/09/28/239140928.db2.gz RUFXFDGANHSQBO-WMLDXEAASA-N 0 3 301.459 3.340 20 30 DGEDHN Cc1cc(CNCc2cccc(Cn3ccnc3)c2)ccc1C#N ZINC000443991360 239246884 /nfs/dbraw/zinc/24/68/84/239246884.db2.gz VRTPXGQLRQVUPN-UHFFFAOYSA-N 0 3 316.408 3.401 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C#N)s2)C1 ZINC000195195369 201357310 /nfs/dbraw/zinc/35/73/10/201357310.db2.gz INUINHQFCOFKCJ-INIZCTEOSA-N 0 3 306.431 3.031 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NCCN1CCCC(C)(C)C1 ZINC000444901674 239369062 /nfs/dbraw/zinc/36/90/62/239369062.db2.gz MTWGSEGVQAHSCR-UHFFFAOYSA-N 0 3 314.433 3.110 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1nc(Cl)c(C#N)s1 ZINC000288074047 219936552 /nfs/dbraw/zinc/93/65/52/219936552.db2.gz YXMYELVBDYNBLL-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN Cc1cccc(C(C)(C)NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000271823526 209246418 /nfs/dbraw/zinc/24/64/18/209246418.db2.gz SLEUPDBGMZIHIR-UHFFFAOYSA-N 0 3 321.424 3.008 20 30 DGEDHN C=C[C@](C)(CCOC)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000275504195 212379336 /nfs/dbraw/zinc/37/93/36/212379336.db2.gz TVXZJMFUIHRVIB-GOSISDBHSA-N 0 3 315.417 3.278 20 30 DGEDHN CC[C@@H](O)[C@@H](CC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000449652913 240346003 /nfs/dbraw/zinc/34/60/03/240346003.db2.gz YTPGKRGPMTZXDZ-ZIAGYGMSSA-N 0 3 300.324 3.216 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000449694425 240374618 /nfs/dbraw/zinc/37/46/18/240374618.db2.gz BQBWBOOKKILDKA-GFCCVEGCSA-N 0 3 321.314 3.184 20 30 DGEDHN COC(=O)[C@@](C)(CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000189946618 432107274 /nfs/dbraw/zinc/10/72/74/432107274.db2.gz ZGKINNUZBDBUEP-YWZLYKJASA-N 0 3 322.408 3.340 20 30 DGEDHN CO[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)C1(C)C ZINC000451514186 241153402 /nfs/dbraw/zinc/15/34/02/241153402.db2.gz ZLNZDSYVXJWBHY-KBPBESRZSA-N 0 3 323.234 3.224 20 30 DGEDHN Cc1oc(NC(=O)CN[C@H]2CCC23CCCC3)c(C#N)c1C ZINC000451455572 241128319 /nfs/dbraw/zinc/12/83/19/241128319.db2.gz KGEITHUDCMVKST-AWEZNQCLSA-N 0 3 301.390 3.019 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC23CCCC3)cc1Cl ZINC000451456307 241128933 /nfs/dbraw/zinc/12/89/33/241128933.db2.gz LKFGGGAAVIIXQR-HNNXBMFYSA-N 0 3 317.820 3.463 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C12CCC2 ZINC000451478403 241137942 /nfs/dbraw/zinc/13/79/42/241137942.db2.gz JWEAWILQGAGENS-SJORKVTESA-N 0 3 300.402 3.004 20 30 DGEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000189993813 432109212 /nfs/dbraw/zinc/10/92/12/432109212.db2.gz RTANOTNOPNPNQS-CHWSQXEVSA-N 0 3 303.406 3.122 20 30 DGEDHN CC(C)(C)C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000452084255 241312218 /nfs/dbraw/zinc/31/22/18/241312218.db2.gz UTSOFQAUDMCTST-OAHLLOKOSA-N 0 3 305.466 3.087 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000454459834 241955725 /nfs/dbraw/zinc/95/57/25/241955725.db2.gz HPVJIOOBYHQNLW-SJORKVTESA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000268632236 432113958 /nfs/dbraw/zinc/11/39/58/432113958.db2.gz KVZSYQOMFJUIHL-PBHICJAKSA-N 0 3 305.418 3.168 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000456011795 242328301 /nfs/dbraw/zinc/32/83/01/242328301.db2.gz VKVWYRQVMMYKBN-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456244545 242387373 /nfs/dbraw/zinc/38/73/73/242387373.db2.gz GKLFQFSOLCINPD-GBESFXJTSA-N 0 3 308.425 3.406 20 30 DGEDHN COc1ccc(CN(C)C)cc1NCc1cc(C#N)cs1 ZINC000093686077 284013749 /nfs/dbraw/zinc/01/37/49/284013749.db2.gz ILVVGBKQKHMMRV-UHFFFAOYSA-N 0 3 301.415 3.302 20 30 DGEDHN Cc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1CN(C)C ZINC000458279620 243016308 /nfs/dbraw/zinc/01/63/08/243016308.db2.gz KBKGPCGHECACEJ-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458257029 243008030 /nfs/dbraw/zinc/00/80/30/243008030.db2.gz CJJIPBZHKCOBLS-GOSISDBHSA-N 0 3 304.434 3.224 20 30 DGEDHN C=CCC1(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCCCC1 ZINC000458560017 243089849 /nfs/dbraw/zinc/08/98/49/243089849.db2.gz QICWIFGYSSOSII-ZBFHGGJFSA-N 0 3 305.466 3.047 20 30 DGEDHN C=C(C)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459009229 243225872 /nfs/dbraw/zinc/22/58/72/243225872.db2.gz VHGNDQVLHRLKTO-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000459008777 243226459 /nfs/dbraw/zinc/22/64/59/243226459.db2.gz UPCCNUUOQXXLBF-HNNXBMFYSA-N 0 3 309.841 3.208 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282854056 335000709 /nfs/dbraw/zinc/00/07/09/335000709.db2.gz UTSZNVAWHNKQBE-QGZVFWFLSA-N 0 3 300.446 3.370 20 30 DGEDHN CCN(CCn1cc(Cl)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000459300629 243324181 /nfs/dbraw/zinc/32/41/81/243324181.db2.gz KMRLAFGVQREJPF-CYBMUJFWSA-N 0 3 302.809 3.491 20 30 DGEDHN CC#CCCCC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469765249 244123492 /nfs/dbraw/zinc/12/34/92/244123492.db2.gz AJPKRXZALQVGAJ-LJQANCHMSA-N 0 3 314.473 3.453 20 30 DGEDHN C=CCCCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471005079 244201688 /nfs/dbraw/zinc/20/16/88/244201688.db2.gz JLCIQRCDTUFSPA-KRWDZBQOSA-N 0 3 303.837 3.488 20 30 DGEDHN CCC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471056259 244204068 /nfs/dbraw/zinc/20/40/68/244204068.db2.gz NLLJBMVNTQOYAL-ZWKOTPCHSA-N 0 3 309.413 3.279 20 30 DGEDHN COc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1C ZINC000268684370 432119913 /nfs/dbraw/zinc/11/99/13/432119913.db2.gz NEBWUMRAIMTAAY-GOSISDBHSA-N 0 3 310.397 3.041 20 30 DGEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000472271537 244293553 /nfs/dbraw/zinc/29/35/53/244293553.db2.gz CKMYHNNPAOCSDT-NSHDSACASA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000474094832 244369812 /nfs/dbraw/zinc/36/98/12/244369812.db2.gz HYRKANGTKRAKAI-UHFFFAOYSA-N 0 3 321.440 3.255 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000474324567 244386939 /nfs/dbraw/zinc/38/69/39/244386939.db2.gz AOWVYECQMCBXDP-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN C[C@@H](O)CCN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093481818 193258193 /nfs/dbraw/zinc/25/81/93/193258193.db2.gz CLYXNMVKGYFOQQ-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN CCC(CC)CN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000488619401 245214482 /nfs/dbraw/zinc/21/44/82/245214482.db2.gz TWPDFNXRAFYEHC-GOSISDBHSA-N 0 3 313.445 3.422 20 30 DGEDHN C=CCn1cccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000488718627 245221094 /nfs/dbraw/zinc/22/10/94/245221094.db2.gz XLUWWIDKTGWLMK-CYBMUJFWSA-N 0 3 302.337 3.107 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000488931990 245250859 /nfs/dbraw/zinc/25/08/59/245250859.db2.gz KVVSEOZEHMYXOS-SFHVURJKSA-N 0 3 323.440 3.069 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000490058745 245377962 /nfs/dbraw/zinc/37/79/62/245377962.db2.gz KTYWSCSPJZZRKE-GOSISDBHSA-N 0 3 315.461 3.041 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000265254813 204485063 /nfs/dbraw/zinc/48/50/63/204485063.db2.gz PLVFGXFVCBNZNP-KUHUBIRLSA-N 0 3 313.372 3.049 20 30 DGEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330273705 299430127 /nfs/dbraw/zinc/43/01/27/299430127.db2.gz ZPHUZNKEBANKEK-NSOWOAJVSA-N 0 3 320.477 3.457 20 30 DGEDHN COc1ccc(CN[C@H](CCCO)c2ccccc2)cc1C#N ZINC000266166881 205151271 /nfs/dbraw/zinc/15/12/71/205151271.db2.gz PQJXPYLGIUKTNB-GOSISDBHSA-N 0 3 310.397 3.170 20 30 DGEDHN COc1cccc(NC(=O)CCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000266480797 205377608 /nfs/dbraw/zinc/37/76/08/205377608.db2.gz SXCRBAAAMPPRJN-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C#CC[C@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000492610059 245757019 /nfs/dbraw/zinc/75/70/19/245757019.db2.gz RIJLNJASCIINMM-HOCLYGCPSA-N 0 3 302.418 3.254 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)cc1 ZINC000267196615 205884101 /nfs/dbraw/zinc/88/41/01/205884101.db2.gz NRRQBGLLJHDTGI-LIRRHRJNSA-N 0 3 313.372 3.049 20 30 DGEDHN CC[C@]1(CO)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000190226423 432134114 /nfs/dbraw/zinc/13/41/14/432134114.db2.gz MQBPBVLUYTUXPA-IBGZPJMESA-N 0 3 316.445 3.354 20 30 DGEDHN C=C(C)COCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495048276 246225907 /nfs/dbraw/zinc/22/59/07/246225907.db2.gz JBNKZGBUCMFPPX-CRAIPNDOSA-N 0 3 307.409 3.476 20 30 DGEDHN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000495183889 246245142 /nfs/dbraw/zinc/24/51/42/246245142.db2.gz ZJDGNWJOVOPVNH-GMBSWORKSA-N 0 3 320.392 3.397 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CCC(C)(C#N)CC2)C1 ZINC000495417630 246267171 /nfs/dbraw/zinc/26/71/71/246267171.db2.gz BLMVBGNWCGXYKK-GOSISDBHSA-N 0 3 321.465 3.259 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCC1 ZINC000190290068 432139608 /nfs/dbraw/zinc/13/96/08/432139608.db2.gz NBQGYIBIKSVJBF-AEFFLSMTSA-N 0 3 312.457 3.370 20 30 DGEDHN COc1cccc2c1OC[C@H](N[C@@H](C)c1cccc(C#N)c1)C2 ZINC000181679944 432142444 /nfs/dbraw/zinc/14/24/44/432142444.db2.gz NCNHSSTXJMKBAD-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN C[C@H]1C[C@@H](NCc2cc(C#N)cs2)CN1Cc1ccccc1 ZINC000151309647 284558513 /nfs/dbraw/zinc/55/85/13/284558513.db2.gz JTYJXMOULRPOHR-WMLDXEAASA-N 0 3 311.454 3.372 20 30 DGEDHN COc1cccc(NC(=O)C[C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000151386914 284561430 /nfs/dbraw/zinc/56/14/30/284561430.db2.gz IGMFGHUIHJSGHO-CQSZACIVSA-N 0 3 323.396 3.074 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccc2F)CC1 ZINC000171560555 432145343 /nfs/dbraw/zinc/14/53/43/432145343.db2.gz NLLKRLZTIDPEKA-UHFFFAOYSA-N 0 3 319.424 3.008 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000274043362 211301392 /nfs/dbraw/zinc/30/13/92/211301392.db2.gz FOGWWOOJHYEKKS-UHFFFAOYSA-N 0 3 310.319 3.132 20 30 DGEDHN N#Cc1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000104658772 194022456 /nfs/dbraw/zinc/02/24/56/194022456.db2.gz SZEPKOVDURPEAU-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000183201856 284847403 /nfs/dbraw/zinc/84/74/03/284847403.db2.gz WBMJQSQDUXCJIZ-GOSISDBHSA-N 0 3 301.434 3.044 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000249260196 285065101 /nfs/dbraw/zinc/06/51/01/285065101.db2.gz HQFIRUMFZAIZDP-RDJZCZTQSA-N 0 3 308.429 3.307 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COCc1ccccc1 ZINC000249450533 285074235 /nfs/dbraw/zinc/07/42/35/285074235.db2.gz MDGACHFPQQNIIG-OXJNMPFZSA-N 0 3 324.424 3.129 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337399475 253107266 /nfs/dbraw/zinc/10/72/66/253107266.db2.gz JWAYCWDCIGRJFH-DZGCQCFKSA-N 0 3 310.344 3.207 20 30 DGEDHN Cc1ccc(NC(=O)c2cccc(C#N)c2C)c(CN(C)C)c1 ZINC000337874884 253187238 /nfs/dbraw/zinc/18/72/38/253187238.db2.gz UBJOJGHMALHERJ-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000338368860 253275136 /nfs/dbraw/zinc/27/51/36/253275136.db2.gz NVYUUPYCGKBWHK-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000159090228 197326562 /nfs/dbraw/zinc/32/65/62/197326562.db2.gz GSQIXAZBUWRXKG-GOSISDBHSA-N 0 3 315.461 3.477 20 30 DGEDHN COCC1(C#N)CCN(CCCOc2cc(C)ccc2C)CC1 ZINC000341983255 533112004 /nfs/dbraw/zinc/11/20/04/533112004.db2.gz CCHWXARTQVUKSP-UHFFFAOYSA-N 0 3 316.445 3.325 20 30 DGEDHN CC[C@H]1CN(c2cc(C#N)cc(C)n2)CCN1Cc1ccccc1 ZINC000342832500 254061621 /nfs/dbraw/zinc/06/16/21/254061621.db2.gz SKOHYEDFHWJXKR-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN Cc1ccnc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1C#N ZINC000343504620 254152272 /nfs/dbraw/zinc/15/22/72/254152272.db2.gz HDOKFKSJEAIDKD-QGZVFWFLSA-N 0 3 320.440 3.363 20 30 DGEDHN Cc1c(Cl)cnc(N[C@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000343538377 254158216 /nfs/dbraw/zinc/15/82/16/254158216.db2.gz VIRJHLQHKYUEDA-NWDGAFQWSA-N 0 3 306.841 3.447 20 30 DGEDHN C[C@H](c1ccco1)N(C)CCC(=O)Nc1sccc1C#N ZINC000343591749 254164993 /nfs/dbraw/zinc/16/49/93/254164993.db2.gz ZQXBAINCOGZPNJ-LLVKDONJSA-N 0 3 303.387 3.234 20 30 DGEDHN C[C@H](NCCC(=O)NCC1CCCCC1)c1ccc(C#N)cc1 ZINC000343452048 254145754 /nfs/dbraw/zinc/14/57/54/254145754.db2.gz NSOCMFBDTLMTBU-HNNXBMFYSA-N 0 3 313.445 3.295 20 30 DGEDHN Cc1cc(C#N)nc(N[C@H](C)[C@@H](c2ccccc2C)N(C)C)n1 ZINC000343802836 254190842 /nfs/dbraw/zinc/19/08/42/254190842.db2.gz FMXSGUFDRCVRRE-PBHICJAKSA-N 0 3 309.417 3.068 20 30 DGEDHN C[C@@H]1CN(C)CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000343820185 254192777 /nfs/dbraw/zinc/19/27/77/254192777.db2.gz VPXRBCTZTJUKBG-MRXNPFEDSA-N 0 3 305.425 3.361 20 30 DGEDHN CO[C@@H](CN(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000344107245 254226347 /nfs/dbraw/zinc/22/63/47/254226347.db2.gz JDOQBULOQDXLRL-FQEVSTJZSA-N 0 3 324.424 3.394 20 30 DGEDHN Cc1nc(CCN(C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344127427 254229159 /nfs/dbraw/zinc/22/91/59/254229159.db2.gz SIMANCISNDTBOB-UHFFFAOYSA-N 0 3 315.442 3.014 20 30 DGEDHN COc1cc2nccc(NCC(C)(C)CCC#N)c2cc1OC ZINC000413296020 533145299 /nfs/dbraw/zinc/14/52/99/533145299.db2.gz HRZASNLTFCXNKH-UHFFFAOYSA-N 0 3 313.401 3.416 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC(OC3CCCC3)CC2)cc1 ZINC000155931223 197075819 /nfs/dbraw/zinc/07/58/19/197075819.db2.gz OHPAKHWMLNUKMG-LJQANCHMSA-N 0 3 314.429 3.015 20 30 DGEDHN COc1cc2c(cc1CNCC(C)(C)CCC#N)O[C@@H](C)C2 ZINC000174261888 533160064 /nfs/dbraw/zinc/16/00/64/533160064.db2.gz MRYNBHLXEJLYQX-ZDUSSCGKSA-N 0 3 302.418 3.438 20 30 DGEDHN CO[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433317461 533170842 /nfs/dbraw/zinc/17/08/42/533170842.db2.gz LENVQYWURJFRGU-RTBURBONSA-N 0 3 322.408 3.263 20 30 DGEDHN COc1ccc([C@H](CN2CCCC2)Nc2ncccc2C#N)cc1 ZINC000302040582 533181416 /nfs/dbraw/zinc/18/14/16/533181416.db2.gz HUEXENQQPUDIMM-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN COc1ccc([C@H](Cc2ccccc2)NC(=O)C(C)C#N)cc1 ZINC000359438369 533189231 /nfs/dbraw/zinc/18/92/31/533189231.db2.gz ZIGQDLVUTHPEPT-KDOFPFPSSA-N 0 3 308.381 3.255 20 30 DGEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000120705461 195219941 /nfs/dbraw/zinc/21/99/41/195219941.db2.gz PGOZFJNHTIRVJG-TZMCWYRMSA-N 0 3 305.447 3.459 20 30 DGEDHN COc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1OC ZINC000330948545 533222715 /nfs/dbraw/zinc/22/27/15/533222715.db2.gz CBSRKFCLPCCMGN-UHFFFAOYSA-N 0 3 320.433 3.130 20 30 DGEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(OC(C)C)c1 ZINC000331004775 533222695 /nfs/dbraw/zinc/22/26/95/533222695.db2.gz GUGZZMKOXKNRDM-ZIAGYGMSSA-N 0 3 320.433 3.270 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc(C#N)cc1 ZINC000271619246 209067405 /nfs/dbraw/zinc/06/74/05/209067405.db2.gz CORMJDPYIIJWNN-CQSZACIVSA-N 0 3 321.380 3.168 20 30 DGEDHN COC(=O)C1(c2ccccc2)CCN(CCC(C)(C)C#N)CC1 ZINC000345725544 533259026 /nfs/dbraw/zinc/25/90/26/533259026.db2.gz IYQQEZTXSWQIRV-UHFFFAOYSA-N 0 3 314.429 3.133 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N1CCCCCC1 ZINC000153422201 533294201 /nfs/dbraw/zinc/29/42/01/533294201.db2.gz BRASTXFJDAQGOW-WMZOPIPTSA-N 0 3 313.445 3.412 20 30 DGEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000181523244 533346202 /nfs/dbraw/zinc/34/62/02/533346202.db2.gz URKVGMOADTZQFY-HZPDHXFCSA-N 0 3 313.445 3.111 20 30 DGEDHN C[C@@H](NCCCC#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341875807 533376040 /nfs/dbraw/zinc/37/60/40/533376040.db2.gz KMXPZNRXECLXQI-CQSZACIVSA-N 0 3 308.385 3.288 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469440401 533491440 /nfs/dbraw/zinc/49/14/40/533491440.db2.gz IDQFOFGKZJRPIB-SFHVURJKSA-N 0 3 317.477 3.361 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000289859413 335066616 /nfs/dbraw/zinc/06/66/16/335066616.db2.gz VVGGCYWFUOKHPS-UHFFFAOYSA-N 0 3 310.372 3.245 20 30 DGEDHN COc1ccc(O)c(/C=N/[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000005291515 400087488 /nfs/dbraw/zinc/08/74/88/400087488.db2.gz KZSSJCASPDRBFS-XNHPLOEXSA-N 0 3 310.397 3.094 20 30 DGEDHN N#Cc1ccc(CCN[C@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000595056025 400092924 /nfs/dbraw/zinc/09/29/24/400092924.db2.gz PDBQVFAZUDMNSM-KRWDZBQOSA-N 0 3 309.417 3.130 20 30 DGEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000595057838 400094243 /nfs/dbraw/zinc/09/42/43/400094243.db2.gz XTFCIXLIUXZISQ-CQSZACIVSA-N 0 3 304.397 3.338 20 30 DGEDHN C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1F ZINC000595080299 400101684 /nfs/dbraw/zinc/10/16/84/400101684.db2.gz JQIPNIVYRHNDNP-ABAIWWIYSA-N 0 3 314.335 3.491 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000595091680 400103058 /nfs/dbraw/zinc/10/30/58/400103058.db2.gz SBCDAQYPHQRAAH-HUUCEWRRSA-N 0 3 303.425 3.468 20 30 DGEDHN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595248603 400112881 /nfs/dbraw/zinc/11/28/81/400112881.db2.gz BIIRDADZRVMSDU-IRXDYDNUSA-N 0 3 313.445 3.378 20 30 DGEDHN CC(C)[C@@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CCCC2 ZINC000584840277 400113529 /nfs/dbraw/zinc/11/35/29/400113529.db2.gz UZYYWMFDMQHGPG-INIZCTEOSA-N 0 3 309.417 3.002 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000303764139 400113612 /nfs/dbraw/zinc/11/36/12/400113612.db2.gz IBDKPAWWETYBHV-NVXWUHKLSA-N 0 3 316.420 3.204 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2c1ccn2C(F)F ZINC000595255620 400113768 /nfs/dbraw/zinc/11/37/68/400113768.db2.gz GSYZMEVRICZLEB-GFCCVEGCSA-N 0 3 320.343 3.386 20 30 DGEDHN CC(C)(NC(=O)C[C@@H]1NCc2ccccc21)c1cccc(C#N)c1 ZINC000595257845 400115725 /nfs/dbraw/zinc/11/57/25/400115725.db2.gz ZASIUBZHKYBDKH-SFHVURJKSA-N 0 3 319.408 3.144 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)[C@H]1CNCc2ccccc21 ZINC000581486412 400080285 /nfs/dbraw/zinc/08/02/85/400080285.db2.gz KUZDZNAPGSAIRX-IBGZPJMESA-N 0 3 306.409 3.088 20 30 DGEDHN C[C@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CCN(C2CC2)C1 ZINC000595508205 400171807 /nfs/dbraw/zinc/17/18/07/400171807.db2.gz VMOLUKJBCOLLAX-CXAGYDPISA-N 0 3 303.837 3.321 20 30 DGEDHN COc1ccc(C(C)(C)CNC[C@H](C#N)CCC#N)cc1OC ZINC000609574674 400176791 /nfs/dbraw/zinc/17/67/91/400176791.db2.gz STJVUFWABZGMKD-AWEZNQCLSA-N 0 3 315.417 3.015 20 30 DGEDHN C[C@@H](CN1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000609739011 400188722 /nfs/dbraw/zinc/18/87/22/400188722.db2.gz MBCXLAMOIPFTTN-KRWDZBQOSA-N 0 3 305.425 3.484 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000018019146 400180711 /nfs/dbraw/zinc/18/07/11/400180711.db2.gz WWNLKGUMLBDIDR-IBGZPJMESA-N 0 3 321.424 3.371 20 30 DGEDHN CC[C@](C)(C(=O)OC)N(CCc1ccc(C#N)cc1)CC1CC1 ZINC000595550018 400185153 /nfs/dbraw/zinc/18/51/53/400185153.db2.gz NXMVZOYQYZUOHQ-LJQANCHMSA-N 0 3 314.429 3.154 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN(C)CC(C)(C)C ZINC000608886408 400130352 /nfs/dbraw/zinc/13/03/52/400130352.db2.gz LRABELHQEVSASD-UHFFFAOYSA-N 0 3 315.461 3.275 20 30 DGEDHN Cc1nc2sccn2c1CN(C)CCc1ccc(C#N)cc1 ZINC000595380175 400136946 /nfs/dbraw/zinc/13/69/46/400136946.db2.gz LVQDMNWYXPQJNS-UHFFFAOYSA-N 0 3 310.426 3.250 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc2n1CCCC2 ZINC000585765692 400139646 /nfs/dbraw/zinc/13/96/46/400139646.db2.gz SROYIKPHJFQFHR-SFHVURJKSA-N 0 3 306.413 3.258 20 30 DGEDHN C=C[C@@H](NC[C@@H](c1ccc(Cl)cc1)N(C)CCC)C(=O)OC ZINC000586532527 400147677 /nfs/dbraw/zinc/14/76/77/400147677.db2.gz LUDWLZYHOLPSCU-CVEARBPZSA-N 0 3 324.852 3.040 20 30 DGEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595436116 400149836 /nfs/dbraw/zinc/14/98/36/400149836.db2.gz AXSDFAMNBVFLNB-KRWDZBQOSA-N 0 3 314.429 3.154 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC4(CCC4)CC3)C2=O)cc1 ZINC000586783326 400156008 /nfs/dbraw/zinc/15/60/08/400156008.db2.gz CHBGMRMMIJUBOO-GOSISDBHSA-N 0 3 323.440 3.320 20 30 DGEDHN CC(C)c1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)on1 ZINC000586790034 400157018 /nfs/dbraw/zinc/15/70/18/400157018.db2.gz FNDYOWKPJFRERL-UHFFFAOYSA-N 0 3 324.428 3.428 20 30 DGEDHN N#Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000067346843 400163557 /nfs/dbraw/zinc/16/35/57/400163557.db2.gz IPTXXHHXFRALOB-CQSZACIVSA-N 0 3 312.804 3.293 20 30 DGEDHN CN(CCNc1ccc(Cl)c(C#N)n1)Cc1ccccc1 ZINC000067369259 400164214 /nfs/dbraw/zinc/16/42/14/400164214.db2.gz SRIQPKRFZXSJNX-UHFFFAOYSA-N 0 3 300.793 3.151 20 30 DGEDHN CC[C@@H](CC(F)F)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500280 400168752 /nfs/dbraw/zinc/16/87/52/400168752.db2.gz DJJCXQODDGTCNR-JSGCOSHPSA-N 0 3 309.360 3.088 20 30 DGEDHN N#Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1F ZINC000616749125 400219540 /nfs/dbraw/zinc/21/95/40/400219540.db2.gz PHKVHDJXFRCVFS-ROUUACIJSA-N 0 3 321.399 3.266 20 30 DGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000595660025 400221093 /nfs/dbraw/zinc/22/10/93/400221093.db2.gz QJXDXIVGQVONMZ-CVEARBPZSA-N 0 3 303.450 3.006 20 30 DGEDHN C[C@H]1[C@H](NC(=O)CCCCCC#N)CCN1Cc1ccccc1 ZINC000588771204 400228588 /nfs/dbraw/zinc/22/85/88/400228588.db2.gz DZPURMRKSUQLFP-FUHWJXTLSA-N 0 3 313.445 3.240 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2Cc3ccccc3[C@@H]2C)c1C#N ZINC000595705157 400235400 /nfs/dbraw/zinc/23/54/00/400235400.db2.gz DJUFSKZAPNHZRM-ORAYPTAESA-N 0 3 320.392 3.163 20 30 DGEDHN C[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595706202 400237293 /nfs/dbraw/zinc/23/72/93/400237293.db2.gz JAAMTFQRHBSRIQ-YVEFUNNKSA-N 0 3 307.353 3.284 20 30 DGEDHN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000093303540 400237510 /nfs/dbraw/zinc/23/75/10/400237510.db2.gz BTDOUPZFESWXJD-HNNXBMFYSA-N 0 3 312.388 3.470 20 30 DGEDHN CCOc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609841119 400195638 /nfs/dbraw/zinc/19/56/38/400195638.db2.gz BGCCGTWSOIIUAP-KBXCAEBGSA-N 0 3 308.381 3.451 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ccc(C#N)cn1 ZINC000092696040 400196985 /nfs/dbraw/zinc/19/69/85/400196985.db2.gz QTLWCDPUDHQWMS-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1[nH]nc(C)c1C(=O)OCC ZINC000595603275 400199794 /nfs/dbraw/zinc/19/97/94/400199794.db2.gz LVXQEXONSUMYFN-KBPBESRZSA-N 0 3 305.422 3.119 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000595602025 400200372 /nfs/dbraw/zinc/20/03/72/400200372.db2.gz FSQCUJHIHXGUFE-HOCLYGCPSA-N 0 3 315.417 3.431 20 30 DGEDHN C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000588204566 400201561 /nfs/dbraw/zinc/20/15/61/400201561.db2.gz UUJMIHSGJJQEQZ-SCLBCKFNSA-N 0 3 314.816 3.466 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccnc1 ZINC000092748006 400201761 /nfs/dbraw/zinc/20/17/61/400201761.db2.gz BJNPOBJLXPDXRD-PBHICJAKSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccnc1 ZINC000092748001 400202120 /nfs/dbraw/zinc/20/21/20/400202120.db2.gz BJNPOBJLXPDXRD-RHSMWYFYSA-N 0 3 324.403 3.412 20 30 DGEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000595611580 400205025 /nfs/dbraw/zinc/20/50/25/400205025.db2.gz LKIXIYOLXHFDMG-ZDUSSCGKSA-N 0 3 305.809 3.294 20 30 DGEDHN CC(C)OC(=O)c1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595620684 400209815 /nfs/dbraw/zinc/20/98/15/400209815.db2.gz ORZXJFVBICBFGR-OAHLLOKOSA-N 0 3 300.402 3.377 20 30 DGEDHN N#CC[C@@H]1CCCN(CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000595623562 400211349 /nfs/dbraw/zinc/21/13/49/400211349.db2.gz TZYFKTXGUWLOGL-XJKSGUPXSA-N 0 3 315.442 3.115 20 30 DGEDHN Cc1ccccc1OC[C@@H](O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595635347 400213967 /nfs/dbraw/zinc/21/39/67/400213967.db2.gz JEHNDHNLDJEEKY-SFHVURJKSA-N 0 3 324.424 3.131 20 30 DGEDHN CN(C(=O)CCNC(C)(C)c1cccc(C#N)c1)c1ccccc1 ZINC000595633537 400214301 /nfs/dbraw/zinc/21/43/01/400214301.db2.gz UJBAWAQMDRWODV-UHFFFAOYSA-N 0 3 321.424 3.436 20 30 DGEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(OC)c1O ZINC000589176655 400268907 /nfs/dbraw/zinc/26/89/07/400268907.db2.gz VZHDEEMHWGMKPK-INIZCTEOSA-N 0 3 324.380 3.058 20 30 DGEDHN COC(=O)c1cccc(CN[C@H](C)C2CCC(F)CC2)c1C#N ZINC000595820757 400269628 /nfs/dbraw/zinc/26/96/28/400269628.db2.gz VVAMGBHGHGJDDH-DNOWBOINSA-N 0 3 318.392 3.351 20 30 DGEDHN N#Cc1ccncc1NCC1CCN(Cc2cccs2)CC1 ZINC000094151897 400270350 /nfs/dbraw/zinc/27/03/50/400270350.db2.gz SBGBPWJQCWEPSR-UHFFFAOYSA-N 0 3 312.442 3.339 20 30 DGEDHN COc1cc(CN2CCC(c3cccnc3)CC2)ccc1C#N ZINC000589196609 400273392 /nfs/dbraw/zinc/27/33/92/400273392.db2.gz ORTSZINXZXEPHX-UHFFFAOYSA-N 0 3 307.397 3.341 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C2CCC2)C1 ZINC000595837685 400277122 /nfs/dbraw/zinc/27/71/22/400277122.db2.gz QYDOGWSARHHKPH-DOTOQJQBSA-N 0 3 317.477 3.230 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCOC1 ZINC000610613710 400282165 /nfs/dbraw/zinc/28/21/65/400282165.db2.gz CZZRWMIAVOBGCI-ZDUSSCGKSA-N 0 3 310.344 3.018 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F ZINC000601300853 400285974 /nfs/dbraw/zinc/28/59/74/400285974.db2.gz KMYBGEBAUWECRF-HERUPUMHSA-N 0 3 318.314 3.296 20 30 DGEDHN CCC(CC)(CNC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000595984221 400298419 /nfs/dbraw/zinc/29/84/19/400298419.db2.gz BCNLOJOLSSNXEO-INIZCTEOSA-N 0 3 319.424 3.021 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC1CC1 ZINC000589753600 400326282 /nfs/dbraw/zinc/32/62/82/400326282.db2.gz SZHMHRMPNPTIEN-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN CC[C@@H](NC1CCN(CC#N)CC1)c1cc(Cl)ccc1OC ZINC000610812886 400310138 /nfs/dbraw/zinc/31/01/38/400310138.db2.gz OEXAAXGENRZTMS-MRXNPFEDSA-N 0 3 321.852 3.377 20 30 DGEDHN C[C@H](CNc1nc2ncccc2cc1C#N)N1CCCC[C@@H]1C ZINC000596073914 400310129 /nfs/dbraw/zinc/31/01/29/400310129.db2.gz MROLWFAUYQOIFL-UONOGXRCSA-N 0 3 309.417 3.176 20 30 DGEDHN C[C@@H](CNc1nc2ncccc2cc1C#N)N1CCCC[C@H]1C ZINC000596073913 400310163 /nfs/dbraw/zinc/31/01/63/400310163.db2.gz MROLWFAUYQOIFL-KGLIPLIRSA-N 0 3 309.417 3.176 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000106340849 400326324 /nfs/dbraw/zinc/32/63/24/400326324.db2.gz OTKSDSZJINRGAJ-RDJZCZTQSA-N 0 3 305.466 3.001 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000106038029 400325284 /nfs/dbraw/zinc/32/52/84/400325284.db2.gz SIYOQWOBCCWBEW-DLBZAZTESA-N 0 3 304.478 3.382 20 30 DGEDHN N#Cc1ccc(NC(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000069221182 400317655 /nfs/dbraw/zinc/31/76/55/400317655.db2.gz AKLHXCCUKMMISJ-QGZVFWFLSA-N 0 3 312.417 3.040 20 30 DGEDHN Cc1ccc([C@@H](CNc2nc(C#N)ccc2C)N2CCCC2)o1 ZINC000596109796 400319976 /nfs/dbraw/zinc/31/99/76/400319976.db2.gz KBBAKAJLYICLJT-MRXNPFEDSA-N 0 3 310.401 3.412 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000093865694 400258318 /nfs/dbraw/zinc/25/83/18/400258318.db2.gz MZMTYMBIBCOBFL-LJQANCHMSA-N 0 3 310.397 3.300 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC000093865952 400259292 /nfs/dbraw/zinc/25/92/92/400259292.db2.gz UPZBGHLYUFQPFE-SFHVURJKSA-N 0 3 310.397 3.300 20 30 DGEDHN N#Cc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)ccc1F ZINC000595786532 400259317 /nfs/dbraw/zinc/25/93/17/400259317.db2.gz BBXSJWBLBYIOCU-MAUKXSAKSA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595789360 400261016 /nfs/dbraw/zinc/26/10/16/400261016.db2.gz MIQMSAQOJHPYDT-PKOBYXMFSA-N 0 3 314.429 3.218 20 30 DGEDHN N#Cc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000611402433 400394616 /nfs/dbraw/zinc/39/46/16/400394616.db2.gz ASDNEYFNQYWQMM-APWZRJJASA-N 0 3 307.397 3.211 20 30 DGEDHN Cc1ccccc1[C@@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000601968838 400390443 /nfs/dbraw/zinc/39/04/43/400390443.db2.gz NXNMUTXYORGPMI-AEFFLSMTSA-N 0 3 324.424 3.152 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578447820 400329460 /nfs/dbraw/zinc/32/94/60/400329460.db2.gz WSJHATRPKORPMD-YOEHRIQHSA-N 0 3 321.852 3.041 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC(c2ccccc2)C1 ZINC000601699089 400334684 /nfs/dbraw/zinc/33/46/84/400334684.db2.gz BGBPSAZYHSJZCA-GOSISDBHSA-N 0 3 304.393 3.385 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1c2ccccc2C[C@@H]1O ZINC000611391527 400391361 /nfs/dbraw/zinc/39/13/61/400391361.db2.gz MDOHMCFADYFNBW-HSALFYBXSA-N 0 3 304.393 3.184 20 30 DGEDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611389503 400391596 /nfs/dbraw/zinc/39/15/96/400391596.db2.gz XWIMVSDDADBUBH-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccccc3C3CC3)C2)nc1 ZINC000590053438 400350925 /nfs/dbraw/zinc/35/09/25/400350925.db2.gz ZAXQOTPSESYCNG-GOSISDBHSA-N 0 3 319.408 3.484 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3coc4ccccc34)C2)nc1 ZINC000590051960 400351042 /nfs/dbraw/zinc/35/10/42/400351042.db2.gz BHZDCRFQTMELPP-MRXNPFEDSA-N 0 3 319.364 3.353 20 30 DGEDHN Cc1cc(NC[C@@H]2CCCCN2C2CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596211091 400351490 /nfs/dbraw/zinc/35/14/90/400351490.db2.gz POVXEIBWFKVOKF-INIZCTEOSA-N 0 3 314.389 3.204 20 30 DGEDHN C[C@@H](NCCN1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000611465547 400405947 /nfs/dbraw/zinc/40/59/47/400405947.db2.gz QUNLXTDMTRMREI-CQSZACIVSA-N 0 3 309.388 3.364 20 30 DGEDHN CC(C)C[C@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000120745056 400448045 /nfs/dbraw/zinc/44/80/45/400448045.db2.gz OINPOHOYHNSHIE-AEFFLSMTSA-N 0 3 305.466 3.086 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000602576297 400501899 /nfs/dbraw/zinc/50/18/99/400501899.db2.gz ATJGUKIILPHPQD-LBPRGKRZSA-N 0 3 306.435 3.150 20 30 DGEDHN CC(C)(C)c1nc(CCNCc2cccc(C#N)n2)cs1 ZINC000602581787 400503754 /nfs/dbraw/zinc/50/37/54/400503754.db2.gz ROCICRYPRMZOOK-UHFFFAOYSA-N 0 3 300.431 3.040 20 30 DGEDHN CC(C)[C@@H](NC[C@@H](C)CCC#N)c1nc(-c2ccncc2)no1 ZINC000602595349 400507458 /nfs/dbraw/zinc/50/74/58/400507458.db2.gz YQXVYPSJACFXDS-DZGCQCFKSA-N 0 3 313.405 3.358 20 30 DGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(C#N)n1 ZINC000602444769 400465013 /nfs/dbraw/zinc/46/50/13/400465013.db2.gz OGAYGMJPDVMVKG-UHFFFAOYSA-N 0 3 304.397 3.483 20 30 DGEDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)C[C@H](C)CCC#N ZINC000602471603 400471494 /nfs/dbraw/zinc/47/14/94/400471494.db2.gz BRKNZAHVRZICPE-CYBMUJFWSA-N 0 3 324.371 3.270 20 30 DGEDHN C[C@@H](CCC#N)CN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000602476781 400472982 /nfs/dbraw/zinc/47/29/82/400472982.db2.gz WGWVOSOXLNRWJI-BBRMVZONSA-N 0 3 319.836 3.317 20 30 DGEDHN COc1ccc(C[C@H](C)CN(C)Cc2cccc(C#N)n2)cc1 ZINC000602480439 400474899 /nfs/dbraw/zinc/47/48/99/400474899.db2.gz WVBBZUPZGGQZPM-HNNXBMFYSA-N 0 3 309.413 3.272 20 30 DGEDHN CCN1CCN(c2ccc(NC[C@@H](C)CCC#N)c(C)c2)CC1 ZINC000602494510 400479188 /nfs/dbraw/zinc/47/91/88/400479188.db2.gz PHWHOATZCCATJY-INIZCTEOSA-N 0 3 314.477 3.489 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(Cl)cc1 ZINC000602504333 400481540 /nfs/dbraw/zinc/48/15/40/400481540.db2.gz PQDNCCHMLGKZBG-AWEZNQCLSA-N 0 3 322.836 3.407 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(-n2cccn2)cc1 ZINC000602513868 400485095 /nfs/dbraw/zinc/48/50/95/400485095.db2.gz FPFCFQLNGSPADM-INIZCTEOSA-N 0 3 324.428 3.061 20 30 DGEDHN Cc1cccc(C)c1OCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602523225 400487459 /nfs/dbraw/zinc/48/74/59/400487459.db2.gz ZWIFHNIRZQNEND-KRWDZBQOSA-N 0 3 316.445 3.371 20 30 DGEDHN COCc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccc1F ZINC000602536728 400490921 /nfs/dbraw/zinc/49/09/21/400490921.db2.gz LAZZGNFGTUUUEY-CQSZACIVSA-N 0 3 320.408 3.161 20 30 DGEDHN N#Cc1cnc(NC[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000591141722 400491627 /nfs/dbraw/zinc/49/16/27/400491627.db2.gz KMYIARCHMIEWDV-INIZCTEOSA-N 0 3 324.403 3.416 20 30 DGEDHN C[C@@H](NC(C)(C)CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602546135 400493386 /nfs/dbraw/zinc/49/33/86/400493386.db2.gz PBMFLVAOLCKFNL-OAHLLOKOSA-N 0 3 308.429 3.172 20 30 DGEDHN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000612117322 400495561 /nfs/dbraw/zinc/49/55/61/400495561.db2.gz ALAFUQIDDZIDAQ-QGZVFWFLSA-N 0 3 314.429 3.164 20 30 DGEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602558868 400496461 /nfs/dbraw/zinc/49/64/61/400496461.db2.gz WECBBMGQRGITOI-PXAZEXFGSA-N 0 3 315.804 3.472 20 30 DGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597172055 400576805 /nfs/dbraw/zinc/57/68/05/400576805.db2.gz AFIXGQRRIGPVRG-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@H](CC#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000596889638 400518500 /nfs/dbraw/zinc/51/85/00/400518500.db2.gz PKOSBLIGOLJSFU-SJLPKXTDSA-N 0 3 313.445 3.126 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc2c(n1)CCCC2 ZINC000602633721 400518712 /nfs/dbraw/zinc/51/87/12/400518712.db2.gz OLBLJBJYYAJZAS-OAHLLOKOSA-N 0 3 313.445 3.149 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602650437 400524277 /nfs/dbraw/zinc/52/42/77/400524277.db2.gz LQYRKKWVOMSFRY-MRXNPFEDSA-N 0 3 314.429 3.440 20 30 DGEDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596976098 400533055 /nfs/dbraw/zinc/53/30/55/400533055.db2.gz XSMMGFCBDVRSCZ-INIZCTEOSA-N 0 3 312.413 3.017 20 30 DGEDHN N#CC1(c2ccc(CN3CCC(n4ccnc4)CC3)cc2)CC1 ZINC000596995800 400536079 /nfs/dbraw/zinc/53/60/79/400536079.db2.gz OUQCIGDGSKNRNF-UHFFFAOYSA-N 0 3 306.413 3.275 20 30 DGEDHN COC(=O)c1cnc(C2CCN(C[C@H](C)CCC#N)CC2)s1 ZINC000602720066 400550411 /nfs/dbraw/zinc/55/04/11/400550411.db2.gz HFGCTLHXACAKAN-GFCCVEGCSA-N 0 3 321.446 3.049 20 30 DGEDHN N#CCC[C@@H](C#N)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000591736996 400553830 /nfs/dbraw/zinc/55/38/30/400553830.db2.gz QBEOCURQPRJOFY-PKOBYXMFSA-N 0 3 310.445 3.247 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765711 400554878 /nfs/dbraw/zinc/55/48/78/400554878.db2.gz BTETZIUCKBHOAW-FZKQIMNGSA-N 0 3 314.816 3.466 20 30 DGEDHN N#CCC1(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000602807835 400580630 /nfs/dbraw/zinc/58/06/30/400580630.db2.gz WTJINZSTQZQIIB-GFCCVEGCSA-N 0 3 312.339 3.233 20 30 DGEDHN COCCc1ccc(OC[C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000597150427 400569820 /nfs/dbraw/zinc/56/98/20/400569820.db2.gz BRVWLTYNMHCLPN-OAHLLOKOSA-N 0 3 304.434 3.172 20 30 DGEDHN CC(C)(C#N)CCCCN1CCN(Cc2ccc(O)cc2)CC1 ZINC000603007080 400623833 /nfs/dbraw/zinc/62/38/33/400623833.db2.gz XMVQTWWXOWQPEU-UHFFFAOYSA-N 0 3 315.461 3.230 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603083283 400639167 /nfs/dbraw/zinc/63/91/67/400639167.db2.gz YJFAFAROGSTZLC-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN N#CCCn1cc(CN2CC[C@@H]3C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000597223457 400591600 /nfs/dbraw/zinc/59/16/00/400591600.db2.gz PALLTHGQPWJKIR-IAGOWNOFSA-N 0 3 306.413 3.306 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@H]1Oc1ccccc1 ZINC000618609238 400641534 /nfs/dbraw/zinc/64/15/34/400641534.db2.gz ZTEVHKSZZCUGMB-BSWVEEBUSA-N 0 3 314.429 3.283 20 30 DGEDHN CC(C)(C)CN1CCC[C@H](N2CCC(CCC#N)CC2)C1=O ZINC000592135164 400611699 /nfs/dbraw/zinc/61/16/99/400611699.db2.gz LEHRFPRAXSHKFQ-INIZCTEOSA-N 0 3 305.466 3.039 20 30 DGEDHN CC[C@@H]1CN(C)CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000597606034 400651572 /nfs/dbraw/zinc/65/15/72/400651572.db2.gz TXTVOMQGRJJAGC-QZTJIDSGSA-N 0 3 313.445 3.017 20 30 DGEDHN N#CCCC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000592517291 400661713 /nfs/dbraw/zinc/66/17/13/400661713.db2.gz WORWRACWADUVSB-UHFFFAOYSA-N 0 3 300.402 3.364 20 30 DGEDHN Cn1cnc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc21 ZINC000618742091 400679988 /nfs/dbraw/zinc/67/99/88/400679988.db2.gz JONYNDTWBYIEGR-QGZVFWFLSA-N 0 3 302.381 3.222 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000597864249 400682852 /nfs/dbraw/zinc/68/28/52/400682852.db2.gz MCDNIJNJZYUFSR-DOTOQJQBSA-N 0 3 307.397 3.074 20 30 DGEDHN N#C[C@H]1CCC[C@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000613252248 400683446 /nfs/dbraw/zinc/68/34/46/400683446.db2.gz HVQOKFYKENAEQD-RDJZCZTQSA-N 0 3 313.445 3.138 20 30 DGEDHN N#C[C@H]1CCC[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000613252244 400683492 /nfs/dbraw/zinc/68/34/92/400683492.db2.gz HVQOKFYKENAEQD-DOTOQJQBSA-N 0 3 313.445 3.138 20 30 DGEDHN N#CC1(NC(=O)CN(CC2CCCCC2)C2CC2)CCCCC1 ZINC000052244277 400724526 /nfs/dbraw/zinc/72/45/26/400724526.db2.gz DESQVUQTVOEGPH-UHFFFAOYSA-N 0 3 317.477 3.374 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CC1CCCCC1)C1CC1 ZINC000052244932 400725248 /nfs/dbraw/zinc/72/52/48/400725248.db2.gz CHEOXMXTBGLLPX-SFHVURJKSA-N 0 3 305.466 3.086 20 30 DGEDHN N#Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000592998035 400729515 /nfs/dbraw/zinc/72/95/15/400729515.db2.gz NTYFNAYRNPJLQW-OLZOCXBDSA-N 0 3 312.291 3.244 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000077195106 400694385 /nfs/dbraw/zinc/69/43/85/400694385.db2.gz JBJNBLCIFRRKSR-GOSISDBHSA-N 0 3 313.445 3.366 20 30 DGEDHN C=CCc1cc(CNCCc2ccc(C)o2)cc(OC)c1O ZINC000603512069 400695541 /nfs/dbraw/zinc/69/55/41/400695541.db2.gz JAJWPHWASLASNC-UHFFFAOYSA-N 0 3 301.386 3.363 20 30 DGEDHN COCCN(CCOc1cccc(C#N)c1)Cc1cccs1 ZINC000051283278 400698967 /nfs/dbraw/zinc/69/89/67/400698967.db2.gz AVOVFYXVTMTNFB-UHFFFAOYSA-N 0 3 316.426 3.147 20 30 DGEDHN C[C@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccc(C#N)cc1 ZINC000603633302 400705675 /nfs/dbraw/zinc/70/56/75/400705675.db2.gz UGPYMWMLRFMODG-AWEZNQCLSA-N 0 3 319.408 3.301 20 30 DGEDHN CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000592829649 400707372 /nfs/dbraw/zinc/70/73/72/400707372.db2.gz UGIVUAKXTTVEDI-QZTJIDSGSA-N 0 3 313.445 3.017 20 30 DGEDHN C[C@H](CCC#N)CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000618887904 400709065 /nfs/dbraw/zinc/70/90/65/400709065.db2.gz MXAJQBCNPJPVRQ-ABAIWWIYSA-N 0 3 323.799 3.114 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597993899 400715679 /nfs/dbraw/zinc/71/56/79/400715679.db2.gz DQKCGNHQSDAJQI-QZTJIDSGSA-N 0 3 307.397 3.055 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2cccs2)CC1 ZINC000604919042 400814502 /nfs/dbraw/zinc/81/45/02/400814502.db2.gz DQJDJXJVBDULDV-UHFFFAOYSA-N 0 3 321.490 3.323 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604920753 400815191 /nfs/dbraw/zinc/81/51/91/400815191.db2.gz IUBSPJOTIXUFHN-FUHWJXTLSA-N 0 3 315.461 3.477 20 30 DGEDHN C[C@]1(CCNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598218962 400763964 /nfs/dbraw/zinc/76/39/64/400763964.db2.gz JRCPDIWLFOOTMV-HOCLYGCPSA-N 0 3 306.356 3.311 20 30 DGEDHN N#CC1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CCCCC1 ZINC000598313536 400781992 /nfs/dbraw/zinc/78/19/92/400781992.db2.gz MRJRJAOPBXVHBE-KRWDZBQOSA-N 0 3 317.477 3.374 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ccon2)CC1 ZINC000598398099 400802301 /nfs/dbraw/zinc/80/23/01/400802301.db2.gz FEVVLLUTWILLRQ-KRWDZBQOSA-N 0 3 323.396 3.153 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000605764761 400884320 /nfs/dbraw/zinc/88/43/20/400884320.db2.gz ZZQQUPSWXJWYOA-NVXWUHKLSA-N 0 3 318.436 3.428 20 30 DGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598584676 400836338 /nfs/dbraw/zinc/83/63/38/400836338.db2.gz RIGPHRITWSXYQH-ZDUSSCGKSA-N 0 3 312.360 3.021 20 30 DGEDHN COc1ccccc1[C@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598589694 400837010 /nfs/dbraw/zinc/83/70/10/400837010.db2.gz KONPCVHSZHOUSY-GOEBONIOSA-N 0 3 302.418 3.133 20 30 DGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000598600751 400841876 /nfs/dbraw/zinc/84/18/76/400841876.db2.gz JGSRYRIIRXKVRG-WCQYABFASA-N 0 3 312.360 3.239 20 30 DGEDHN N#Cc1cccc(OCCCN2CCOCC3(CCCC3)C2)c1 ZINC000614222659 400856501 /nfs/dbraw/zinc/85/65/01/400856501.db2.gz TXYPBGYPLHOJEQ-UHFFFAOYSA-N 0 3 314.429 3.220 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCSc2ccc(F)cc21 ZINC000598699687 400859709 /nfs/dbraw/zinc/85/97/09/400859709.db2.gz HTTOKARGYPVWQY-OCCSQVGLSA-N 0 3 308.422 3.253 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(F)cc1C(F)(F)F ZINC000598701414 400861183 /nfs/dbraw/zinc/86/11/83/400861183.db2.gz UWGQMVZZYXZENT-GFCCVEGCSA-N 0 3 318.314 3.235 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)c(Cl)c1 ZINC000598705982 400861608 /nfs/dbraw/zinc/86/16/08/400861608.db2.gz ONZMOJXGZVBTFU-LLVKDONJSA-N 0 3 301.217 3.384 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(C(F)(F)F)c1 ZINC000598704550 400861887 /nfs/dbraw/zinc/86/18/87/400861887.db2.gz RMYSHDHJPOWVNY-ZDUSSCGKSA-N 0 3 300.324 3.096 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(Cl)cc(Cl)c1 ZINC000598705736 400861929 /nfs/dbraw/zinc/86/19/29/400861929.db2.gz MXLMMUMVMAQCDX-ZDUSSCGKSA-N 0 3 301.217 3.384 20 30 DGEDHN C=CCNC(=O)Nc1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000079406523 400863562 /nfs/dbraw/zinc/86/35/62/400863562.db2.gz RDSKMCDEEPSGFO-VIFPVBQESA-N 0 3 315.295 3.131 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000598722996 400865673 /nfs/dbraw/zinc/86/56/73/400865673.db2.gz CIPQWSDRAHUJFN-ZFWWWQNUSA-N 0 3 322.836 3.444 20 30 DGEDHN Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)c(OCC2CC2)c1 ZINC000598725894 400866828 /nfs/dbraw/zinc/86/68/28/400866828.db2.gz QGFVRCMXKCOKCA-QGZVFWFLSA-N 0 3 316.445 3.174 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000598724845 400867072 /nfs/dbraw/zinc/86/70/72/400867072.db2.gz RTFYPNOWBARFNB-IUODEOHRSA-N 0 3 322.836 3.444 20 30 DGEDHN N#CCCOCCN1CCC(c2ccnc3ccccc32)CC1 ZINC000593998220 400939577 /nfs/dbraw/zinc/93/95/77/400939577.db2.gz LFLJBQQYEYJKOA-UHFFFAOYSA-N 0 3 309.413 3.344 20 30 DGEDHN C[C@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(C#N)c(F)c1 ZINC000599066592 400946352 /nfs/dbraw/zinc/94/63/52/400946352.db2.gz STXIFJVRXKCCKE-FZMZJTMJSA-N 0 3 311.351 3.077 20 30 DGEDHN C=CCN(CCO[C@@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000181650903 400889429 /nfs/dbraw/zinc/88/94/29/400889429.db2.gz XIZNBTGLZDVKMW-GOSISDBHSA-N 0 3 305.418 3.226 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000619704744 400891636 /nfs/dbraw/zinc/89/16/36/400891636.db2.gz DSAKEFJGSAWJER-COPLHBTASA-N 0 3 317.458 3.214 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN(CCc2ccccc2)CC1 ZINC000614395957 400892412 /nfs/dbraw/zinc/89/24/12/400892412.db2.gz DRCJZPKIUOKUHB-UHFFFAOYSA-N 0 3 319.452 3.227 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000182891019 400898994 /nfs/dbraw/zinc/89/89/94/400898994.db2.gz WQJJOWOVXMNBHW-CRAIPNDOSA-N 0 3 301.434 3.009 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000056168453 400913668 /nfs/dbraw/zinc/91/36/68/400913668.db2.gz GPRCQEUVAYKGOU-RDJZCZTQSA-N 0 3 311.429 3.022 20 30 DGEDHN Cn1ncc(C(F)(F)F)c1CNC1CCC(C)(C#N)CC1 ZINC000598989626 400922320 /nfs/dbraw/zinc/92/23/20/400922320.db2.gz ONUPMQIVXWHJGL-UHFFFAOYSA-N 0 3 300.328 3.001 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000594042267 400960070 /nfs/dbraw/zinc/96/00/70/400960070.db2.gz SLSJMXAGDCHCKV-INIZCTEOSA-N 0 3 306.381 3.153 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594041892 400960420 /nfs/dbraw/zinc/96/04/20/400960420.db2.gz ANZINFRCWRCHIR-INIZCTEOSA-N 0 3 318.417 3.023 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000057137758 400973639 /nfs/dbraw/zinc/97/36/39/400973639.db2.gz SJRMBTZNIPXHTF-MRXNPFEDSA-N 0 3 324.468 3.088 20 30 DGEDHN COCCN(CCOC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000058564000 401059859 /nfs/dbraw/zinc/05/98/59/401059859.db2.gz AZBRWYNFNVJIEQ-UHFFFAOYSA-N 0 3 324.424 3.320 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000594428583 401064524 /nfs/dbraw/zinc/06/45/24/401064524.db2.gz MYERRYHQXSIHRS-MSOLQXFVSA-N 0 3 313.445 3.021 20 30 DGEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000594429863 401066006 /nfs/dbraw/zinc/06/60/06/401066006.db2.gz XLTDBPXJSOFEIN-BBRMVZONSA-N 0 3 305.397 3.146 20 30 DGEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594433247 401068299 /nfs/dbraw/zinc/06/82/99/401068299.db2.gz MTFPADCNJQUZJB-ROUUACIJSA-N 0 3 315.461 3.186 20 30 DGEDHN CSc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594439869 401069358 /nfs/dbraw/zinc/06/93/58/401069358.db2.gz RUALUDPCNSJUBB-GFCCVEGCSA-N 0 3 311.838 3.412 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1Cl ZINC000594445078 401071561 /nfs/dbraw/zinc/07/15/61/401071561.db2.gz OWCSVDODGZKVCQ-HZMBPMFUSA-N 0 3 311.788 3.068 20 30 DGEDHN CCC[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599345467 401028391 /nfs/dbraw/zinc/02/83/91/401028391.db2.gz QYTKLXXDIAQXRF-RBUKOAKNSA-N 0 3 324.424 3.429 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000057862462 401033441 /nfs/dbraw/zinc/03/34/41/401033441.db2.gz FLECWQCOOVWUFL-SFHVURJKSA-N 0 3 306.413 3.227 20 30 DGEDHN Cc1cc(C)cc(CN(C)C[C@H](O)COc2ccccc2C#N)c1 ZINC000599385758 401038651 /nfs/dbraw/zinc/03/86/51/401038651.db2.gz LTCMXMHXQYEIAV-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN CN(C)c1cccc(CN2CCc3c(CC#N)cccc3C2)c1 ZINC000599678718 401113358 /nfs/dbraw/zinc/11/33/58/401113358.db2.gz LMVKZSHBXMOESL-UHFFFAOYSA-N 0 3 305.425 3.377 20 30 DGEDHN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599690957 401117655 /nfs/dbraw/zinc/11/76/55/401117655.db2.gz NAJQPAMMDYZVQO-MIFYACCESA-N 0 3 300.402 3.029 20 30 DGEDHN C/C=C\C[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599691935 401118234 /nfs/dbraw/zinc/11/82/34/401118234.db2.gz VCUFDVDEJGTYGV-VUROMXLHSA-N 0 3 305.466 3.108 20 30 DGEDHN CC(C)[C@H](CNCc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000594517883 401094209 /nfs/dbraw/zinc/09/42/09/401094209.db2.gz FKEHHXBKAWOAOQ-INIZCTEOSA-N 0 3 302.418 3.262 20 30 DGEDHN Cc1cccc([C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)c1 ZINC000599627216 401095305 /nfs/dbraw/zinc/09/53/05/401095305.db2.gz KDUGZWBSKWJDKI-OALUTQOASA-N 0 3 313.445 3.090 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1C(F)F ZINC000599904228 401158961 /nfs/dbraw/zinc/15/89/61/401158961.db2.gz YKMRMGRYOWATKR-LSDHHAIUSA-N 0 3 306.356 3.405 20 30 DGEDHN CN(C(=O)c1ccc(CN2CCCC2)cc1)c1cccc(C#N)c1 ZINC000063325996 401189652 /nfs/dbraw/zinc/18/96/52/401189652.db2.gz LUWQXFHGHJUZFS-UHFFFAOYSA-N 0 3 319.408 3.431 20 30 DGEDHN N#Cc1cccnc1N1CCCN(CCCc2ccccc2)CC1 ZINC000064633123 401244987 /nfs/dbraw/zinc/24/49/87/401244987.db2.gz YRUFIGJLXMKLQA-UHFFFAOYSA-N 0 3 320.440 3.098 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000630843204 401339746 /nfs/dbraw/zinc/33/97/46/401339746.db2.gz YZKQIKPDDBONQC-GOSISDBHSA-N 0 3 312.457 3.371 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000631291545 401446192 /nfs/dbraw/zinc/44/61/92/401446192.db2.gz YOJCKSDWXOHGPC-UHFFFAOYSA-N 0 3 312.457 3.466 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC(C)(C)CCO)cc1OC ZINC000623432058 401516417 /nfs/dbraw/zinc/51/64/17/401516417.db2.gz AMENOADANIXVMM-UHFFFAOYSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(CCC)CCO)cc1OC ZINC000628120113 401527690 /nfs/dbraw/zinc/52/76/90/401527690.db2.gz YOHXXSUXMINIMC-UHFFFAOYSA-N 0 3 313.825 3.118 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(CC)[C@@H](C)CO)cc1OC ZINC000628296623 401569579 /nfs/dbraw/zinc/56/95/79/401569579.db2.gz SBLMNZMYBWZATO-LBPRGKRZSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CO[C@H](C)C2)cc1OC ZINC000623559210 401546498 /nfs/dbraw/zinc/54/64/98/401546498.db2.gz VPTAPIYFWIJFIE-YPMHNXCESA-N 0 3 311.809 3.180 20 30 DGEDHN COc1cc(N[C@@H]2CCCN([C@@H](C)CCC#N)C2)cc(OC)c1 ZINC000411382954 286238336 /nfs/dbraw/zinc/23/83/36/286238336.db2.gz LASFOCQRUVSADP-LSDHHAIUSA-N 0 3 317.433 3.272 20 30 DGEDHN CCC1(CC)CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000190415251 432153639 /nfs/dbraw/zinc/15/36/39/432153639.db2.gz YIGGCFWOIBUVAS-QGZVFWFLSA-N 0 3 305.466 3.087 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc(C#N)cc1 ZINC000171646698 432156572 /nfs/dbraw/zinc/15/65/72/432156572.db2.gz AMHYXJYXCOAKIA-INIZCTEOSA-N 0 3 315.417 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000171719669 432164609 /nfs/dbraw/zinc/16/46/09/432164609.db2.gz FVHSVUSYGGORMW-UHFFFAOYSA-N 0 3 318.848 3.138 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246836992 432170483 /nfs/dbraw/zinc/17/04/83/432170483.db2.gz OMOPXDNLSQNXLH-KXBFYZLASA-N 0 3 313.420 3.146 20 30 DGEDHN C=CCc1cc(CN2CCS[C@@H](C)CC2)cc(OC)c1O ZINC000190691864 432182408 /nfs/dbraw/zinc/18/24/08/432182408.db2.gz BQNRODRQDBOUON-ZDUSSCGKSA-N 0 3 307.459 3.457 20 30 DGEDHN COc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1C#N ZINC000269719404 432202699 /nfs/dbraw/zinc/20/26/99/432202699.db2.gz TXDRCBAEOSHXNL-IBGZPJMESA-N 0 3 322.408 3.049 20 30 DGEDHN N#Cc1ccc(CNCC2([C@@H](O)c3ccccc3)CC2)c(F)c1 ZINC000269760923 432206038 /nfs/dbraw/zinc/20/60/38/432206038.db2.gz BDLSRVQADCGTDC-SFHVURJKSA-N 0 3 310.372 3.301 20 30 DGEDHN C=C(C)COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)ccc1OC ZINC000247262744 432216245 /nfs/dbraw/zinc/21/62/45/432216245.db2.gz XSCDVDMIXGPEMH-DLBZAZTESA-N 0 3 319.445 3.243 20 30 DGEDHN Cc1noc(C)c1C[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000127173505 227001941 /nfs/dbraw/zinc/00/19/41/227001941.db2.gz XRUHJYWVUBXPEQ-LJSZUPLFSA-N 0 3 309.413 3.436 20 30 DGEDHN Cc1nccn1CCCN(C)CC#Cc1cccc(Cl)c1 ZINC000130409149 227021343 /nfs/dbraw/zinc/02/13/43/227021343.db2.gz NFEOKKTWBDSYIE-UHFFFAOYSA-N 0 3 301.821 3.219 20 30 DGEDHN COc1ccc(CNCC2(OC)CCC2)cc1OCCCC#N ZINC000181088472 228359287 /nfs/dbraw/zinc/35/92/87/228359287.db2.gz CZNGWIPKHZGRIK-UHFFFAOYSA-N 0 3 318.417 3.036 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000185798095 228396967 /nfs/dbraw/zinc/39/69/67/228396967.db2.gz NXOQTSBKNIAEFP-GOEBONIOSA-N 0 3 312.392 3.492 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000185777627 228397023 /nfs/dbraw/zinc/39/70/23/228397023.db2.gz XHNVZFBYNBLCDY-YPMHNXCESA-N 0 3 313.323 3.195 20 30 DGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000185798940 228398421 /nfs/dbraw/zinc/39/84/21/228398421.db2.gz CQYCDGFSOAFVFM-YCPHGPKFSA-N 0 3 313.401 3.376 20 30 DGEDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CCCCN2CCO)cc1C ZINC000331303636 229027985 /nfs/dbraw/zinc/02/79/85/229027985.db2.gz FONPKGMYAYTIDU-CQSZACIVSA-N 0 3 324.852 3.108 20 30 DGEDHN Cc1ccc(OC2CCN(CCOCCC#N)CC2)cc1C ZINC000338925209 229071551 /nfs/dbraw/zinc/07/15/51/229071551.db2.gz ZLNAYVVFHCFFEI-UHFFFAOYSA-N 0 3 302.418 3.077 20 30 DGEDHN CC(C#N)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000345811638 229157673 /nfs/dbraw/zinc/15/76/73/229157673.db2.gz HZLQEZKAYFRGIU-OAHLLOKOSA-N 0 3 308.381 3.179 20 30 DGEDHN CC(C#N)C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000346004983 229163085 /nfs/dbraw/zinc/16/30/85/229163085.db2.gz ROUIBLAOBBEGHY-SNVBAGLBSA-N 0 3 309.207 3.046 20 30 DGEDHN Cc1cc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)s1 ZINC000347548029 229188341 /nfs/dbraw/zinc/18/83/41/229188341.db2.gz BVLPPWAHELYTDF-GDZNZVCISA-N 0 3 321.490 3.459 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000349823288 229217317 /nfs/dbraw/zinc/21/73/17/229217317.db2.gz UDGWRQJZROGLGA-SJORKVTESA-N 0 3 307.397 3.442 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc3nccc(C)c3c2)nc(C)n1 ZINC000353525533 229279409 /nfs/dbraw/zinc/27/94/09/229279409.db2.gz GUMKGYRVEOSEEX-INIZCTEOSA-N 0 3 316.364 3.440 20 30 DGEDHN Cc1c(F)cccc1NC(=O)CCN1CCC(C)(C#N)CC1 ZINC000356442051 229336493 /nfs/dbraw/zinc/33/64/93/229336493.db2.gz AAOMYIGNRNKQAT-UHFFFAOYSA-N 0 3 303.381 3.088 20 30 DGEDHN Cc1ccc([C@H](CNc2nc3ccccn3c2C#N)N(C)C)cc1 ZINC000302076287 230082592 /nfs/dbraw/zinc/08/25/92/230082592.db2.gz HFSBHQHCPYJOTL-KRWDZBQOSA-N 0 3 319.412 3.229 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc(C#N)cc1F ZINC000413238977 230163232 /nfs/dbraw/zinc/16/32/32/230163232.db2.gz SWYYEJIZDUUNLK-CXAGYDPISA-N 0 3 310.376 3.025 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCC3(CCCC3)C2)cc1 ZINC000526930789 269963007 /nfs/dbraw/zinc/96/30/07/269963007.db2.gz ZAZQRFHRDHFCHQ-GOSISDBHSA-N 0 3 321.424 3.423 20 30 DGEDHN CCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)cc1C ZINC000346336268 264014023 /nfs/dbraw/zinc/01/40/23/264014023.db2.gz MTNKVPXJEGPBCN-UHFFFAOYSA-N 0 3 313.445 3.205 20 30 DGEDHN C[C@@H]1CCCN1C(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347959786 264314342 /nfs/dbraw/zinc/31/43/42/264314342.db2.gz ULYCTJLONFKCJQ-MRXNPFEDSA-N 0 3 323.440 3.048 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCCOC1 ZINC000348142953 264351340 /nfs/dbraw/zinc/35/13/40/264351340.db2.gz OAJSEULFGRKRIG-FZMZJTMJSA-N 0 3 310.344 3.064 20 30 DGEDHN CCN(CC1CCC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000361482919 270004670 /nfs/dbraw/zinc/00/46/70/270004670.db2.gz ZAFUVEXARKVOBX-LBPRGKRZSA-N 0 3 303.406 3.217 20 30 DGEDHN C=CCCOCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000270210476 432229915 /nfs/dbraw/zinc/22/99/15/432229915.db2.gz NWLDFRRUCWMKAX-UHFFFAOYSA-N 0 3 318.417 3.060 20 30 DGEDHN CC(C)(C)OC(=O)CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353248971 265706295 /nfs/dbraw/zinc/70/62/95/265706295.db2.gz BVBALZAKOZWAHY-INIZCTEOSA-N 0 3 300.402 3.257 20 30 DGEDHN CCN(CCC1CC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000355054832 266124092 /nfs/dbraw/zinc/12/40/92/266124092.db2.gz CNUHWZDXYPVZTK-GFCCVEGCSA-N 0 3 303.406 3.217 20 30 DGEDHN CCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000351927825 266135929 /nfs/dbraw/zinc/13/59/29/266135929.db2.gz RPAAYPNHSFUPEP-MRXNPFEDSA-N 0 3 302.418 3.346 20 30 DGEDHN CCN1CCN(c2ccccc2CNc2ccc(C#N)cc2)CC1 ZINC000355754114 266173140 /nfs/dbraw/zinc/17/31/40/266173140.db2.gz FATLASAQDMVHOS-UHFFFAOYSA-N 0 3 320.440 3.312 20 30 DGEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(C#N)s1)c1ccco1 ZINC000359548073 266363677 /nfs/dbraw/zinc/36/36/77/266363677.db2.gz SYYFNGHNSMUBJM-DGCLKSJQSA-N 0 3 317.414 3.072 20 30 DGEDHN CCc1cnccc1[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000361138343 266446809 /nfs/dbraw/zinc/44/68/09/266446809.db2.gz ZUVKDCSPZVPACN-CQSZACIVSA-N 0 3 322.412 3.195 20 30 DGEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000247480237 432233211 /nfs/dbraw/zinc/23/32/11/432233211.db2.gz FNPHSQHIVOVNHA-VXGBXAGGSA-N 0 3 319.474 3.413 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]2CCC[C@H]21 ZINC000247502324 432236185 /nfs/dbraw/zinc/23/61/85/432236185.db2.gz LWALKHUTAVGODP-TZMCWYRMSA-N 0 3 303.431 3.213 20 30 DGEDHN CCCCN(CCCC)CC(=O)NCc1cccc(C#N)c1 ZINC000519907597 267005071 /nfs/dbraw/zinc/00/50/71/267005071.db2.gz NBKVKYSEHSQXNP-UHFFFAOYSA-N 0 3 301.434 3.077 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000358885838 267026089 /nfs/dbraw/zinc/02/60/89/267026089.db2.gz VEZLSUQVJAZZNT-NFAWXSAZSA-N 0 3 318.852 3.448 20 30 DGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000367882307 267084183 /nfs/dbraw/zinc/08/41/83/267084183.db2.gz YAYFOIGRWLBVGQ-MDASCCDHSA-N 0 3 307.397 3.070 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000404064089 267235442 /nfs/dbraw/zinc/23/54/42/267235442.db2.gz NDLXGKGPWIJLCS-YWZLYKJASA-N 0 3 323.415 3.307 20 30 DGEDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352797632 267262499 /nfs/dbraw/zinc/26/24/99/267262499.db2.gz MFDCIISPKFKMIS-HUUCEWRRSA-N 0 3 312.335 3.218 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(Cc3cccc(C#N)c3)n2)cc1 ZINC000531161690 267281760 /nfs/dbraw/zinc/28/17/60/267281760.db2.gz ATGHCWPLFHIBJY-UHFFFAOYSA-N 0 3 318.380 3.261 20 30 DGEDHN Cc1cc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)ccc1C#N ZINC000353222815 267326728 /nfs/dbraw/zinc/32/67/28/267326728.db2.gz QYXFDAPRVUFDMR-UXHICEINSA-N 0 3 306.409 3.123 20 30 DGEDHN COc1cc(CNC[C@H](C)N2CCc3ccccc32)ccc1C#N ZINC000440809622 267593669 /nfs/dbraw/zinc/59/36/69/267593669.db2.gz TZHDYMFLXWLGOY-HNNXBMFYSA-N 0 3 321.424 3.108 20 30 DGEDHN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)on1 ZINC000505847737 268022098 /nfs/dbraw/zinc/02/20/98/268022098.db2.gz FKFPEAXGRKHMNC-INIZCTEOSA-N 0 3 324.384 3.020 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(c3ccnc4ccccc43)C2)nc1 ZINC000366189042 268182847 /nfs/dbraw/zinc/18/28/47/268182847.db2.gz XLCYABAVFJEQOR-OAHLLOKOSA-N 0 3 316.364 3.159 20 30 DGEDHN N#Cc1ncccc1NCc1ccc(OCCN2CCCC2)cc1 ZINC000357234112 268327686 /nfs/dbraw/zinc/32/76/86/268327686.db2.gz GJJVJPAXNMYQFM-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000270418673 432244951 /nfs/dbraw/zinc/24/49/51/432244951.db2.gz KILNLAKXUPOBJZ-IEBWSBKVSA-N 0 3 312.457 3.433 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(CC#N)cc1)N(C)Cc1ccccc1 ZINC000270443106 432247656 /nfs/dbraw/zinc/24/76/56/432247656.db2.gz RYSPUYIMPHXRIG-MRXNPFEDSA-N 0 3 321.424 3.003 20 30 DGEDHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000359852931 271000293 /nfs/dbraw/zinc/00/02/93/271000293.db2.gz SDJQSGZRQZQJHH-BEFAXECRSA-N 0 3 321.424 3.081 20 30 DGEDHN C#CC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccccc1 ZINC000270505824 432253324 /nfs/dbraw/zinc/25/33/24/432253324.db2.gz QVYQWFRPMJSQGZ-LJQANCHMSA-N 0 3 306.409 3.243 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCCC[C@H]1C ZINC000338357650 274222749 /nfs/dbraw/zinc/22/27/49/274222749.db2.gz ROZJDSGTADGUHY-OLZOCXBDSA-N 0 3 318.396 3.082 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000193227944 274877396 /nfs/dbraw/zinc/87/73/96/274877396.db2.gz ZECMUTTVDPGUEM-ITDIGPHOSA-N 0 3 303.406 3.263 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000248651499 275379151 /nfs/dbraw/zinc/37/91/51/275379151.db2.gz AWUWMGFTDIJCGM-YOEHRIQHSA-N 0 3 304.459 3.051 20 30 DGEDHN C#C[C@H](N[C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000491661273 275386789 /nfs/dbraw/zinc/38/67/89/275386789.db2.gz FOWFOEONNAHVJQ-RDBSUJKOSA-N 0 3 301.283 3.200 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000170667445 275422343 /nfs/dbraw/zinc/42/23/43/275422343.db2.gz ZDEDPKZAEPHRPK-MRXNPFEDSA-N 0 3 314.429 3.057 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccnc1Cl)C(C)C ZINC000112919828 275425669 /nfs/dbraw/zinc/42/56/69/275425669.db2.gz SFBXZNPUEOSGMF-OAHLLOKOSA-N 0 3 321.852 3.163 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2scnc2C(C)(C)C)CC1 ZINC000176780219 275738691 /nfs/dbraw/zinc/73/86/91/275738691.db2.gz HDXXMHCSDSJPIA-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000357771068 275744768 /nfs/dbraw/zinc/74/47/68/275744768.db2.gz KCGWUNSPTGGDBP-QGZVFWFLSA-N 0 3 300.446 3.466 20 30 DGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCC(C)(C)CC#N)cc1 ZINC000418302208 276058024 /nfs/dbraw/zinc/05/80/24/276058024.db2.gz ZMCFWFADHXSDJV-MRXNPFEDSA-N 0 3 316.449 3.049 20 30 DGEDHN CCC[C@H]1[C@@H](C)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000464739167 276291493 /nfs/dbraw/zinc/29/14/93/276291493.db2.gz WDKFPVKEOGYMKI-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2OC)C12CCC2 ZINC000121238179 276361519 /nfs/dbraw/zinc/36/15/19/276361519.db2.gz BSHSBXUPUFNPAU-MSOLQXFVSA-N 0 3 314.429 3.346 20 30 DGEDHN CN(C)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000353429914 276866040 /nfs/dbraw/zinc/86/60/40/276866040.db2.gz VFCVDKUZWRXZBV-QZTJIDSGSA-N 0 3 311.454 3.500 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000280779282 276871542 /nfs/dbraw/zinc/87/15/42/276871542.db2.gz IEOTUSDJHVQXPH-COXVUDFISA-N 0 3 311.372 3.223 20 30 DGEDHN C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000337855655 276912639 /nfs/dbraw/zinc/91/26/39/276912639.db2.gz LCYMLULQLPNPKO-JKSUJKDBSA-N 0 3 317.481 3.042 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC12CCN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000496335471 277181549 /nfs/dbraw/zinc/18/15/49/277181549.db2.gz ASVPVUBTQDWLLB-GJZGRUSLSA-N 0 3 319.449 3.154 20 30 DGEDHN CC(C)CC(CC(C)C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599517 277346341 /nfs/dbraw/zinc/34/63/41/277346341.db2.gz KHSZOXDPCHSEDQ-KRWDZBQOSA-N 0 3 301.434 3.135 20 30 DGEDHN C=C(C)COCCN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000338797701 277778040 /nfs/dbraw/zinc/77/80/40/277778040.db2.gz YDVGKBMBCXBNPE-MSOLQXFVSA-N 0 3 317.429 3.351 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000466934381 277830947 /nfs/dbraw/zinc/83/09/47/277830947.db2.gz OQHCKAYDMLVXEJ-KRWDZBQOSA-N 0 3 303.450 3.287 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000271340707 277839446 /nfs/dbraw/zinc/83/94/46/277839446.db2.gz BXHKOCGNKDERFS-GOSISDBHSA-N 0 3 313.445 3.184 20 30 DGEDHN CC(C)c1nn(C)cc1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000330429120 278092788 /nfs/dbraw/zinc/09/27/88/278092788.db2.gz IEDJOCOOFNALMW-AWEZNQCLSA-N 0 3 320.481 3.359 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN(CCO)[C@H]1CCCSC1 ZINC000438996609 278259715 /nfs/dbraw/zinc/25/97/15/278259715.db2.gz FQOJZIGLEJDROM-INIZCTEOSA-N 0 3 318.486 3.178 20 30 DGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000413281550 278969933 /nfs/dbraw/zinc/96/99/33/278969933.db2.gz NFPCNQAQXNWBQH-YPMHNXCESA-N 0 3 324.350 3.035 20 30 DGEDHN CCCO[C@@H]1CCCN(CCOc2ccccc2C#N)CC1 ZINC000108391642 431137316 /nfs/dbraw/zinc/13/73/16/431137316.db2.gz ORJSJJOJPAFCCT-QGZVFWFLSA-N 0 3 302.418 3.218 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1c1ccccc1C ZINC000249681862 279223838 /nfs/dbraw/zinc/22/38/38/279223838.db2.gz DWWCTGQQNKOVJY-QAPCUYQASA-N 0 3 313.445 3.140 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000495851735 279340215 /nfs/dbraw/zinc/34/02/15/279340215.db2.gz SLJDQFAWVSPABE-MLGOLLRUSA-N 0 3 315.417 3.048 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000111257808 431205597 /nfs/dbraw/zinc/20/55/97/431205597.db2.gz GWWWNXTVRKYSGC-ZIAGYGMSSA-N 0 3 304.409 3.289 20 30 DGEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccco1 ZINC000071833704 431295046 /nfs/dbraw/zinc/29/50/46/431295046.db2.gz HISYIRNEWUOICY-UHFFFAOYSA-N 0 3 318.446 3.302 20 30 DGEDHN N#Cc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000070976826 431266736 /nfs/dbraw/zinc/26/67/36/431266736.db2.gz NVGRRLDCWXXEQN-LJQANCHMSA-N 0 3 322.408 3.445 20 30 DGEDHN N#Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000070976826 431266745 /nfs/dbraw/zinc/26/67/45/431266745.db2.gz NVGRRLDCWXXEQN-LJQANCHMSA-N 0 3 322.408 3.445 20 30 DGEDHN CCC[C@@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000112377471 431271459 /nfs/dbraw/zinc/27/14/59/431271459.db2.gz XUGOTBUFQQHSCG-LJQANCHMSA-N 0 3 324.424 3.388 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000113313966 431341604 /nfs/dbraw/zinc/34/16/04/431341604.db2.gz GXOZGIIQLIOEJN-HNNXBMFYSA-N 0 3 323.392 3.321 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000113314935 431342655 /nfs/dbraw/zinc/34/26/55/431342655.db2.gz VGHCAXWWRFEOKT-UHFFFAOYSA-N 0 3 308.425 3.445 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000072827798 431350441 /nfs/dbraw/zinc/35/04/41/431350441.db2.gz XZFJQMXZRXBXBC-CQSZACIVSA-N 0 3 306.475 3.383 20 30 DGEDHN CCCN(CC(=O)Nc1ccccc1SCC#N)CC1CC1 ZINC000072950511 431359600 /nfs/dbraw/zinc/35/96/00/431359600.db2.gz GXMSQXMUFMWUIM-UHFFFAOYSA-N 0 3 317.458 3.363 20 30 DGEDHN Cc1nnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1C ZINC000075669014 431493875 /nfs/dbraw/zinc/49/38/75/431493875.db2.gz ILFSIALRJCXOTR-QGZVFWFLSA-N 0 3 321.428 3.042 20 30 DGEDHN CCO[C@H]1C[C@](CO)(NCCC2(C#N)CCCCC2)C1(C)C ZINC000411615764 279939525 /nfs/dbraw/zinc/93/95/25/279939525.db2.gz SCMPEUGVMDXZDV-MAUKXSAKSA-N 0 3 308.466 3.006 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000116951815 431540580 /nfs/dbraw/zinc/54/05/80/431540580.db2.gz KAYKYWRAVJMCOQ-LSDHHAIUSA-N 0 3 321.490 3.224 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000116972871 431541010 /nfs/dbraw/zinc/54/10/10/431541010.db2.gz WVTBSJFHTCSJEC-RDJZCZTQSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000116941345 431541082 /nfs/dbraw/zinc/54/10/82/431541082.db2.gz KXVFESOQCZFNQC-HIFRSBDPSA-N 0 3 309.479 3.395 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CCCC2)C1 ZINC000408441304 280103697 /nfs/dbraw/zinc/10/36/97/280103697.db2.gz CZTLHEKAQWREKV-DOTOQJQBSA-N 0 3 305.466 3.086 20 30 DGEDHN COc1cccc([C@H](CNc2ccc(F)cc2C#N)N(C)C)c1 ZINC000078551619 431680161 /nfs/dbraw/zinc/68/01/61/431680161.db2.gz QGTONKISVHDGOC-SFHVURJKSA-N 0 3 313.376 3.421 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000027208079 431687731 /nfs/dbraw/zinc/68/77/31/431687731.db2.gz KHCFVJBLJVPPEG-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC[C@H]1CCCO1)c1ccccn1 ZINC000078732647 431703124 /nfs/dbraw/zinc/70/31/24/431703124.db2.gz WDBWXWQGKLPTIN-GDBMZVCRSA-N 0 3 322.364 3.129 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000079542186 431731888 /nfs/dbraw/zinc/73/18/88/431731888.db2.gz TVJLMILXTMMCMD-UHFFFAOYSA-N 0 3 316.445 3.244 20 30 DGEDHN N#CCSCCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000121841276 431806818 /nfs/dbraw/zinc/80/68/18/431806818.db2.gz LGGDYJJBILRGER-ZDUSSCGKSA-N 0 3 308.472 3.432 20 30 DGEDHN CCc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000122819805 431845121 /nfs/dbraw/zinc/84/51/21/431845121.db2.gz XTZVVTNOCDUUJE-UHFFFAOYSA-N 0 3 323.440 3.422 20 30 DGEDHN COCCN(C)CC[C@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000122815684 431845505 /nfs/dbraw/zinc/84/55/05/431845505.db2.gz SPDDXZSJWMUJLK-SFHVURJKSA-N 0 3 324.428 3.075 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000123228523 431859159 /nfs/dbraw/zinc/85/91/59/431859159.db2.gz SRNQANKFNMDOMT-SFHVURJKSA-N 0 3 315.461 3.431 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000092261628 431908756 /nfs/dbraw/zinc/90/87/56/431908756.db2.gz XFYUTGCGSBVORJ-UHFFFAOYSA-N 0 3 304.397 3.456 20 30 DGEDHN CC(C)COC(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000092754513 431910708 /nfs/dbraw/zinc/91/07/08/431910708.db2.gz JYUYYPZLJZRDPG-UHFFFAOYSA-N 0 3 309.454 3.117 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cccs1)C(C)C ZINC000047633567 431913267 /nfs/dbraw/zinc/91/32/67/431913267.db2.gz JZYNPUMVVJSBCV-INIZCTEOSA-N 0 3 306.475 3.105 20 30 DGEDHN COc1ccccc1CN1CCN(CC(C)(C)CCC#N)CC1 ZINC000093048562 431913658 /nfs/dbraw/zinc/91/36/58/431913658.db2.gz RZWCDLCCSOTXAT-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN C[C@@H]1[C@H](C)SCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000093501203 431915519 /nfs/dbraw/zinc/91/55/19/431915519.db2.gz PVPMHNSOXPQHMP-CABCVRRESA-N 0 3 303.475 3.362 20 30 DGEDHN COc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1OCCCC#N ZINC000093661147 431917097 /nfs/dbraw/zinc/91/70/97/431917097.db2.gz UTZGESSWTORMIT-IYBDPMFKSA-N 0 3 314.429 3.466 20 30 DGEDHN C=CCOc1ccc(CN(C)CCc2nccs2)cc1OC ZINC000093843945 431918730 /nfs/dbraw/zinc/91/87/30/431918730.db2.gz ARISEKBVVZWRRG-UHFFFAOYSA-N 0 3 318.442 3.391 20 30 DGEDHN C=C(C)COCCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090451140 431892108 /nfs/dbraw/zinc/89/21/08/431892108.db2.gz LRCBQZMGMVWUPA-OAHLLOKOSA-N 0 3 302.418 3.057 20 30 DGEDHN CC[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000046171412 431895441 /nfs/dbraw/zinc/89/54/41/431895441.db2.gz DDVBJWROVWXKTB-BEFAXECRSA-N 0 3 313.445 3.096 20 30 DGEDHN C=C(C)CN1CCC(N[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334292 431903805 /nfs/dbraw/zinc/90/38/05/431903805.db2.gz OVITWJGZTFARDF-HNNXBMFYSA-N 0 3 312.461 3.264 20 30 DGEDHN C=C(C)COc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)ccc1OC ZINC000091900087 431906545 /nfs/dbraw/zinc/90/65/45/431906545.db2.gz XSCDVDMIXGPEMH-IRXDYDNUSA-N 0 3 319.445 3.243 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)c1ccncc1 ZINC000127642622 431977511 /nfs/dbraw/zinc/97/75/11/431977511.db2.gz OODMUCKHRLKWSK-CQSZACIVSA-N 0 3 311.385 3.034 20 30 DGEDHN CN(CCC(=O)Nc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000051400910 431950753 /nfs/dbraw/zinc/95/07/53/431950753.db2.gz CSJNKAZCYBNFJR-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN CCN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000097035874 431957391 /nfs/dbraw/zinc/95/73/91/431957391.db2.gz JCXBEYODVJOZGK-UHFFFAOYSA-N 0 3 305.425 3.363 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CCCC1)c1ccsc1 ZINC000053501744 431964003 /nfs/dbraw/zinc/96/40/03/431964003.db2.gz AOQMGCGWIRICFN-OAHLLOKOSA-N 0 3 319.474 3.331 20 30 DGEDHN CN(CCCNC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000053998766 431967141 /nfs/dbraw/zinc/96/71/41/431967141.db2.gz XKBRVPGZJMAHMY-UHFFFAOYSA-N 0 3 322.412 3.202 20 30 DGEDHN C[C@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)cc1F ZINC000270651775 432271805 /nfs/dbraw/zinc/27/18/05/432271805.db2.gz MCJDVLRIJJORRZ-ABAIWWIYSA-N 0 3 304.390 3.361 20 30 DGEDHN Cc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)s1 ZINC000102774406 431997593 /nfs/dbraw/zinc/99/75/93/431997593.db2.gz UDQCPZQKBUSFLL-UHFFFAOYSA-N 0 3 319.455 3.450 20 30 DGEDHN Cc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000102774576 431997779 /nfs/dbraw/zinc/99/77/79/431997779.db2.gz USJFZKRPZRJGBT-UHFFFAOYSA-N 0 3 313.426 3.389 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000183140712 432262411 /nfs/dbraw/zinc/26/24/11/432262411.db2.gz TVCSZYALBCHBQD-JKSUJKDBSA-N 0 3 315.461 3.131 20 30 DGEDHN Cn1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1C#N ZINC000191475921 432268758 /nfs/dbraw/zinc/26/87/58/432268758.db2.gz YKNNMJJIRIWJMM-HNAYVOBHSA-N 0 3 309.413 3.154 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248827187 432321398 /nfs/dbraw/zinc/32/13/98/432321398.db2.gz MCBCHMVUSUIPPA-AEFFLSMTSA-N 0 3 315.461 3.115 20 30 DGEDHN CCn1cnnc1[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000248945466 432331713 /nfs/dbraw/zinc/33/17/13/432331713.db2.gz OOYMINZZRDDSGW-RHSMWYFYSA-N 0 3 309.417 3.110 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105667 432333639 /nfs/dbraw/zinc/33/36/39/432333639.db2.gz FUHQQZWYFLXCEQ-UHOFOFEASA-N 0 3 313.800 3.226 20 30 DGEDHN C[C@H](NCc1cc(C#N)ccc1Br)C1CCOCC1 ZINC000191821268 432306409 /nfs/dbraw/zinc/30/64/09/432306409.db2.gz PMIRJYJZPVOFCK-NSHDSACASA-N 0 3 323.234 3.225 20 30 DGEDHN C#CCCCN(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000270976167 432310946 /nfs/dbraw/zinc/31/09/46/432310946.db2.gz BPRJRFSOQOMOSE-UHFFFAOYSA-N 0 3 312.335 3.168 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000252692381 432386151 /nfs/dbraw/zinc/38/61/51/432386151.db2.gz BGRSMVCDEQPTIM-HNAYVOBHSA-N 0 3 313.420 3.146 20 30 DGEDHN N#Cc1ccc(OCCN2CCC(C3CCOCC3)CC2)cc1 ZINC000153391959 432404859 /nfs/dbraw/zinc/40/48/59/432404859.db2.gz VIRIVMIFTVDOJS-UHFFFAOYSA-N 0 3 314.429 3.076 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C)CC1 ZINC000249836303 432361063 /nfs/dbraw/zinc/36/10/63/432361063.db2.gz SMDZCZNCJPNDHL-DLBZAZTESA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(OCC#N)cc1 ZINC000192933607 432429754 /nfs/dbraw/zinc/42/97/54/432429754.db2.gz IJIPERCKFOVXHB-YOEHRIQHSA-N 0 3 313.401 3.135 20 30 DGEDHN C[C@H](O)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193058384 432443583 /nfs/dbraw/zinc/44/35/83/432443583.db2.gz DUTBSOYWXCXLIP-KRWDZBQOSA-N 0 3 308.425 3.199 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000192771554 432410941 /nfs/dbraw/zinc/41/09/41/432410941.db2.gz RPQCYQDDUMHSCW-GOSISDBHSA-N 0 3 324.424 3.284 20 30 DGEDHN N#CCC[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000192768720 432411929 /nfs/dbraw/zinc/41/19/29/432411929.db2.gz BOPYPSWCWSGGKW-GOSISDBHSA-N 0 3 311.429 3.022 20 30 DGEDHN Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000192790661 432414645 /nfs/dbraw/zinc/41/46/45/432414645.db2.gz SNMNCYTUHQKHIW-SFHVURJKSA-N 0 3 323.396 3.448 20 30 DGEDHN Cc1sc(NC(=O)CN[C@H](C)C2CCCC2)c(C#N)c1C ZINC000184665947 432419770 /nfs/dbraw/zinc/41/97/70/432419770.db2.gz LKTJTDBPCGPHGW-LLVKDONJSA-N 0 3 305.447 3.343 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(OCC#N)cc1 ZINC000271784294 432424094 /nfs/dbraw/zinc/42/40/94/432424094.db2.gz GOTYHOBJBHPVGC-FZKQIMNGSA-N 0 3 314.360 3.112 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000271822008 432426305 /nfs/dbraw/zinc/42/63/05/432426305.db2.gz NYFSZPRUPDDRAW-FZKQIMNGSA-N 0 3 314.360 3.112 20 30 DGEDHN C=CCOc1ccc(CN2CCC(C)(OC)CC2)cc1OC ZINC000272329783 432482628 /nfs/dbraw/zinc/48/26/28/432482628.db2.gz DMDCCOXPMNEDCE-UHFFFAOYSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185334775 432491362 /nfs/dbraw/zinc/49/13/62/432491362.db2.gz IDQKCXUHVVTUBS-SFHVURJKSA-N 0 3 300.446 3.370 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCCN(c2nccs2)CC1 ZINC000186176639 432565275 /nfs/dbraw/zinc/56/52/75/432565275.db2.gz NBQIKRZRQAZNEM-UHFFFAOYSA-N 0 3 312.442 3.036 20 30 DGEDHN COc1ccc(OCCN(C)Cc2ccc(C#N)cc2C)cc1 ZINC000186164650 432563365 /nfs/dbraw/zinc/56/33/65/432563365.db2.gz WWOGTLJVTLSPTM-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN CC1(C#N)CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000272625736 432532513 /nfs/dbraw/zinc/53/25/13/432532513.db2.gz VLBNRWVFXIIQHP-UHFFFAOYSA-N 0 3 305.809 3.294 20 30 DGEDHN CC[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)N(CC)CC ZINC000272703704 432533348 /nfs/dbraw/zinc/53/33/48/432533348.db2.gz QEOJPXSBJJYAIR-UKRRQHHQSA-N 0 3 303.406 3.036 20 30 DGEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000273041199 432541997 /nfs/dbraw/zinc/54/19/97/432541997.db2.gz AOWLTXTXCNALSG-OALUTQOASA-N 0 3 317.429 3.307 20 30 DGEDHN Cn1cc(CN2CCCC3(CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000186610384 432613177 /nfs/dbraw/zinc/61/31/77/432613177.db2.gz ABZCBZIDLGPRCT-UHFFFAOYSA-N 0 3 306.413 3.335 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)c2nc(C)c(C)s2)c1 ZINC000155652621 432565692 /nfs/dbraw/zinc/56/56/92/432565692.db2.gz JFMURHZORLHCPP-ZDUSSCGKSA-N 0 3 301.371 3.014 20 30 DGEDHN N#Cc1ccc(CNCc2cccc(Cn3cccn3)c2)s1 ZINC000176953255 432569866 /nfs/dbraw/zinc/56/98/66/432569866.db2.gz JYDWJNPDZLITIV-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN CC(C)Oc1cccc([C@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176971543 432571400 /nfs/dbraw/zinc/57/14/00/432571400.db2.gz WOWBHIMTLQBACY-QGZVFWFLSA-N 0 3 316.426 3.230 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC000155966704 432583742 /nfs/dbraw/zinc/58/37/42/432583742.db2.gz RMHUOHQZPSNROG-MRXNPFEDSA-N 0 3 322.493 3.271 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186400242 432591346 /nfs/dbraw/zinc/59/13/46/432591346.db2.gz XCBHNELWLIKHIA-FUHWJXTLSA-N 0 3 302.418 3.250 20 30 DGEDHN CC(C)(CCc1ccccc1)NCC(=O)Nc1cccc(C#N)c1 ZINC000177187427 432596157 /nfs/dbraw/zinc/59/61/57/432596157.db2.gz YJONLLYNLPMZSA-UHFFFAOYSA-N 0 3 321.424 3.498 20 30 DGEDHN Fc1ccc(C#CCN2CCN(CC3CCCCC3)CC2)cc1 ZINC000156387742 432596849 /nfs/dbraw/zinc/59/68/49/432596849.db2.gz FQPPVEHNJPMPJC-UHFFFAOYSA-N 0 3 314.448 3.375 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncc(Cl)c(C)c2C#N)CC1 ZINC000273416958 432597710 /nfs/dbraw/zinc/59/77/10/432597710.db2.gz YJHGHZGYMLHTTJ-UHFFFAOYSA-N 0 3 304.825 3.368 20 30 DGEDHN C=C(C)CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000156537456 432599623 /nfs/dbraw/zinc/59/96/23/432599623.db2.gz AAPCMCZSGYDQPQ-ZFWWWQNUSA-N 0 3 307.463 3.006 20 30 DGEDHN COC(=O)c1ccccc1CCN(C)Cc1cccc(C#N)c1 ZINC000186495170 432600359 /nfs/dbraw/zinc/60/03/59/432600359.db2.gz MXDSVCAXYLORRX-UHFFFAOYSA-N 0 3 308.381 3.019 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@H](c3ccc(F)cc3)C2)o1 ZINC000273489054 432603766 /nfs/dbraw/zinc/60/37/66/432603766.db2.gz MVBZDLPCPLJNGF-YOEHRIQHSA-N 0 3 300.333 3.300 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCC(C)(C)C#N ZINC000157830133 432630676 /nfs/dbraw/zinc/63/06/76/432630676.db2.gz JZMSUXHMVPXMJX-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccccc1C(C)(C)C#N ZINC000274068638 432634859 /nfs/dbraw/zinc/63/48/59/432634859.db2.gz RAKRHIIXSBHQDU-KGLIPLIRSA-N 0 3 302.418 3.165 20 30 DGEDHN C=CCC[C@H](O)CN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158147188 432639197 /nfs/dbraw/zinc/63/91/97/432639197.db2.gz SPSCPIRSVXMZOF-ZDUSSCGKSA-N 0 3 318.244 3.115 20 30 DGEDHN C[C@@H](c1cccs1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000274292987 432646591 /nfs/dbraw/zinc/64/65/91/432646591.db2.gz NKXKGTKRRCHRCW-DZGCQCFKSA-N 0 3 316.426 3.052 20 30 DGEDHN COc1ccccc1O[C@H](C)CNCc1cc(C#N)cs1 ZINC000177707398 432654070 /nfs/dbraw/zinc/65/40/70/432654070.db2.gz VNAITISWUQHQHA-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN C[C@H](NC(=O)c1sccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000187270246 432654258 /nfs/dbraw/zinc/65/42/58/432654258.db2.gz HMVXDUSGAYJRRS-SWLSCSKDSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000274391166 432661415 /nfs/dbraw/zinc/66/14/15/432661415.db2.gz CGJGQKCPTGABGE-KUHUBIRLSA-N 0 3 311.404 3.478 20 30 DGEDHN CN(C)c1ccc(CNCc2ccc(OCC#N)cc2)cc1F ZINC000264939903 432665713 /nfs/dbraw/zinc/66/57/13/432665713.db2.gz FVIPXXPEUWUDOS-UHFFFAOYSA-N 0 3 313.376 3.084 20 30 DGEDHN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1ccccn1 ZINC000159752588 432695936 /nfs/dbraw/zinc/69/59/36/432695936.db2.gz KFAVBAVCTZPIPQ-OAHLLOKOSA-N 0 3 300.321 3.029 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000227632909 432713067 /nfs/dbraw/zinc/71/30/67/432713067.db2.gz DCVZEEVAYYFTHE-UONOGXRCSA-N 0 3 321.446 3.155 20 30 DGEDHN CC(C)N1CCN(CCCSc2cccc(C#N)c2)CC1 ZINC000188323437 432718457 /nfs/dbraw/zinc/71/84/57/432718457.db2.gz QYGIXVIXJMGPJQ-UHFFFAOYSA-N 0 3 303.475 3.066 20 30 DGEDHN CC(C)(C)OC(=O)NC1(CNCc2ccc(C#N)cc2)CCC1 ZINC000230156717 432724028 /nfs/dbraw/zinc/72/40/28/432724028.db2.gz ROTNEVBSDRBVEH-UHFFFAOYSA-N 0 3 315.417 3.095 20 30 DGEDHN CC(C)Oc1ccc([C@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000265221544 432677360 /nfs/dbraw/zinc/67/73/60/432677360.db2.gz HCMDQPLVOBSRBB-LJQANCHMSA-N 0 3 310.397 3.169 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000265254816 432680583 /nfs/dbraw/zinc/68/05/83/432680583.db2.gz PLVFGXFVCBNZNP-LIRRHRJNSA-N 0 3 313.372 3.049 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(CC#N)cc1 ZINC000275930348 432761513 /nfs/dbraw/zinc/76/15/13/432761513.db2.gz YALWHTDNFYOUIA-UHFFFAOYSA-N 0 3 307.397 3.109 20 30 DGEDHN C=CCCN(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000276065776 432771317 /nfs/dbraw/zinc/77/13/17/432771317.db2.gz CMLKOGHKPHOAQU-HNNXBMFYSA-N 0 3 303.450 3.333 20 30 DGEDHN C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(C#N)cc1 ZINC000276156679 432777008 /nfs/dbraw/zinc/77/70/08/432777008.db2.gz CTVBASVAYIBAFG-JTQLQIEISA-N 0 3 304.287 3.126 20 30 DGEDHN C#CC[C@@H](NCCOCC(F)(F)C(F)F)c1ccccc1 ZINC000276178087 432779583 /nfs/dbraw/zinc/77/95/83/432779583.db2.gz GLBWUDSMMVHRJA-CYBMUJFWSA-N 0 3 303.299 3.258 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1ccccc1CCN(C)C)OCC ZINC000275709769 432743836 /nfs/dbraw/zinc/74/38/36/432743836.db2.gz UKSNMQARLOHNOB-QGZVFWFLSA-N 0 3 304.434 3.101 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1 ZINC000267196607 432821384 /nfs/dbraw/zinc/82/13/84/432821384.db2.gz NRRQBGLLJHDTGI-IFXJQAMLSA-N 0 3 313.372 3.049 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267272757 432829192 /nfs/dbraw/zinc/82/91/92/432829192.db2.gz ARPVBFSWPFQMDA-WMZOPIPTSA-N 0 3 300.446 3.370 20 30 DGEDHN OCC[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267421987 432835241 /nfs/dbraw/zinc/83/52/41/432835241.db2.gz WPLWEJZOZCBPMV-MRXNPFEDSA-N 0 3 311.347 3.294 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2COc3ccccc3C2)cc1 ZINC000237507126 432790439 /nfs/dbraw/zinc/79/04/39/432790439.db2.gz DYXVIRQYYRUQIY-WMLDXEAASA-N 0 3 308.381 3.071 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2COc3ccccc3C2)cc1 ZINC000237609220 432793480 /nfs/dbraw/zinc/79/34/80/432793480.db2.gz DYXVIRQYYRUQIY-RHSMWYFYSA-N 0 3 308.381 3.071 20 30 DGEDHN N#Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000179002796 432795620 /nfs/dbraw/zinc/79/56/20/432795620.db2.gz RQXPKPHOYHDHSQ-XIRDDKMYSA-N 0 3 300.377 3.135 20 30 DGEDHN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000276368756 432800700 /nfs/dbraw/zinc/80/07/00/432800700.db2.gz GSLGRLPOQIZQLE-HNNXBMFYSA-N 0 3 301.434 3.122 20 30 DGEDHN N#CCCn1cc(CNC[C@@H]2CCCCO2)c(-c2ccccc2)n1 ZINC000237828883 432801596 /nfs/dbraw/zinc/80/15/96/432801596.db2.gz MLPNDKMFPWMUFT-SFHVURJKSA-N 0 3 324.428 3.122 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H]3OCCC[C@H]3C2)cc(OC)c1O ZINC000245783970 432862967 /nfs/dbraw/zinc/86/29/67/432862967.db2.gz UXJYKBCVQOAQTN-IRXDYDNUSA-N 0 3 317.429 3.130 20 30 DGEDHN CC(C)(C)OC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000268323996 432863938 /nfs/dbraw/zinc/86/39/38/432863938.db2.gz VDDIFSJDPAVKSO-UHFFFAOYSA-N 0 3 302.418 3.368 20 30 DGEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000245890723 432868169 /nfs/dbraw/zinc/86/81/69/432868169.db2.gz RPVIBDWFCHVCGT-DGCLKSJQSA-N 0 3 305.422 3.463 20 30 DGEDHN C[C@H](NC(=O)[C@H]1CCCc2c(O)cccc21)C1=CCN(C)CC1 ZINC000330020097 432889174 /nfs/dbraw/zinc/88/91/74/432889174.db2.gz WDCMIGYGYIFSQR-GUYCJALGSA-N 0 3 314.429 3.419 20 30 DGEDHN CC(C)Oc1ccc([C@@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000288147570 432889451 /nfs/dbraw/zinc/88/94/51/432889451.db2.gz BTCNQGOTMSCWME-GOSISDBHSA-N 0 3 324.428 3.455 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000288191249 432890446 /nfs/dbraw/zinc/89/04/46/432890446.db2.gz CBMNAIZWVFOHGN-UHOSZYNNSA-N 0 3 312.457 3.432 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000288371547 432890992 /nfs/dbraw/zinc/89/09/92/432890992.db2.gz FCSLCADFSJEJJB-VQIMIIECSA-N 0 3 313.445 3.049 20 30 DGEDHN CC(C)(C)c1cnc(CCC(=O)N[C@@H]2CCN(C3CC3)C2)o1 ZINC000330157057 432895342 /nfs/dbraw/zinc/89/53/42/432895342.db2.gz PDZSYLCHNPDVST-GFCCVEGCSA-N 0 3 305.422 3.098 20 30 DGEDHN C=CCCCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000279217246 432946778 /nfs/dbraw/zinc/94/67/78/432946778.db2.gz WWTXQQHKQDIEDX-UHFFFAOYSA-N 0 3 301.839 3.189 20 30 DGEDHN N#Cc1cccc(OCCN2CCC[C@H](c3ccncc3)C2)c1 ZINC000289353308 432948389 /nfs/dbraw/zinc/94/83/89/432948389.db2.gz NFZDEGVNFJYRCN-SFHVURJKSA-N 0 3 307.397 3.212 20 30 DGEDHN C#C[C@H](NCc1ccc(OC)c(OCc2cccnc2)c1)C(C)C ZINC000289358263 432949309 /nfs/dbraw/zinc/94/93/09/432949309.db2.gz JYVYLRFMVJYFFZ-SFHVURJKSA-N 0 3 324.424 3.417 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000330204584 432896941 /nfs/dbraw/zinc/89/69/41/432896941.db2.gz BSXIIBLQVRKPGB-UKRRQHHQSA-N 0 3 312.772 3.224 20 30 DGEDHN COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1OC(F)F ZINC000278604612 432898083 /nfs/dbraw/zinc/89/80/83/432898083.db2.gz MCNZBYQAUKMJJO-DGCLKSJQSA-N 0 3 310.344 3.421 20 30 DGEDHN Cc1noc(C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)n1 ZINC000278717477 432899084 /nfs/dbraw/zinc/89/90/84/432899084.db2.gz MAGGKJZVTYNSAT-OIISXLGYSA-N 0 3 310.401 3.334 20 30 DGEDHN O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@@H]1CCCN1C1CCCC1 ZINC000330276554 432901596 /nfs/dbraw/zinc/90/15/96/432901596.db2.gz NBLCXRHEOKKIPP-PBHICJAKSA-N 0 3 314.429 3.223 20 30 DGEDHN CC#CCCN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278799917 432902593 /nfs/dbraw/zinc/90/25/93/432902593.db2.gz OOZYLHZTUXZUQZ-UHFFFAOYSA-N 0 3 311.347 3.402 20 30 DGEDHN CC[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278877685 432911574 /nfs/dbraw/zinc/91/15/74/432911574.db2.gz XPZBBZYOYOHEBJ-AABGKKOBSA-N 0 3 324.424 3.084 20 30 DGEDHN C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)N1CCC[C@@H](C)C1 ZINC000330539727 432915310 /nfs/dbraw/zinc/91/53/10/432915310.db2.gz VCRFSOGVXHQBCG-ZIAGYGMSSA-N 0 3 320.481 3.143 20 30 DGEDHN C#Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000289035496 432915504 /nfs/dbraw/zinc/91/55/04/432915504.db2.gz HIQSHCVOJAUJOE-UHFFFAOYSA-N 0 3 320.436 3.137 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)CC(C)(C)C#N)c1ccsc1 ZINC000278907615 432915783 /nfs/dbraw/zinc/91/57/83/432915783.db2.gz ZIFYCJZNKBVLRX-CQSZACIVSA-N 0 3 307.463 3.187 20 30 DGEDHN CC[C@@H](CNc1ncc(Br)cc1C#N)N1CCCC1 ZINC000296544075 432920405 /nfs/dbraw/zinc/92/04/05/432920405.db2.gz OCWUWFXSTYJZSX-ZDUSSCGKSA-N 0 3 323.238 3.002 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000289559931 432968692 /nfs/dbraw/zinc/96/86/92/432968692.db2.gz AHYAUUHFJRDPIA-QMTHXVAHSA-N 0 3 306.406 3.455 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000290148284 433002140 /nfs/dbraw/zinc/00/21/40/433002140.db2.gz PNMXVHSNLUTUOB-UHFFFAOYSA-N 0 3 300.402 3.208 20 30 DGEDHN CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000341203306 432991834 /nfs/dbraw/zinc/99/18/34/432991834.db2.gz COELSUSSLBAQAI-MRXNPFEDSA-N 0 3 311.385 3.448 20 30 DGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCCC1 ZINC000279733326 432991822 /nfs/dbraw/zinc/99/18/22/432991822.db2.gz NXTCCNJNQDYUJC-QGZVFWFLSA-N 0 3 309.413 3.422 20 30 DGEDHN CC(C)C(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280009653 432999160 /nfs/dbraw/zinc/99/91/60/432999160.db2.gz LRWBHCISXMGLMD-QGZVFWFLSA-N 0 3 311.429 3.285 20 30 DGEDHN C[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280034559 433000359 /nfs/dbraw/zinc/00/03/59/433000359.db2.gz NLQICUWOFFMNON-ZTFGCOKTSA-N 0 3 309.413 3.326 20 30 DGEDHN CC(C)(C#N)CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297665766 433003171 /nfs/dbraw/zinc/00/31/71/433003171.db2.gz ODLIYQJINKRTMX-UHFFFAOYSA-N 0 3 308.429 3.297 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@](CO)(CCC)C2)cc1OC ZINC000290171005 433005629 /nfs/dbraw/zinc/00/56/29/433005629.db2.gz MWAXUBMFSHUUMV-IBGZPJMESA-N 0 3 319.445 3.245 20 30 DGEDHN N#Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000298069468 433045923 /nfs/dbraw/zinc/04/59/23/433045923.db2.gz BRGVISOOHLSBLS-QGZVFWFLSA-N 0 3 313.376 3.217 20 30 DGEDHN Cc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccc1C#N ZINC000361249338 433057594 /nfs/dbraw/zinc/05/75/94/433057594.db2.gz GFVUDWCAMIAIMI-HXUWFJFHSA-N 0 3 306.409 3.003 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)nc2ccccn21 ZINC000280529131 433072075 /nfs/dbraw/zinc/07/20/75/433072075.db2.gz BTAWXQGWQJXVEA-WFASDCNBSA-N 0 3 305.809 3.059 20 30 DGEDHN Cn1cc(CN[C@@H]2CCCC[C@H]2F)c(-c2ccc(C#N)cc2)n1 ZINC000419828045 433073432 /nfs/dbraw/zinc/07/34/32/433073432.db2.gz YEHBLOOPGLHZQE-IAGOWNOFSA-N 0 3 312.392 3.329 20 30 DGEDHN Cn1c(CNCCc2cccc(C#N)c2)nc2ccc(Cl)cc21 ZINC000341491271 433089414 /nfs/dbraw/zinc/08/94/14/433089414.db2.gz SQCNHZXWQCRSGU-UHFFFAOYSA-N 0 3 324.815 3.431 20 30 DGEDHN C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000341563254 433137124 /nfs/dbraw/zinc/13/71/24/433137124.db2.gz JPKWCXGTRWXVAM-QWHCGFSZSA-N 0 3 302.378 3.141 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2ccccn2)n1 ZINC000280616934 433106442 /nfs/dbraw/zinc/10/64/42/433106442.db2.gz KOBJNMQWSHQHEB-CJNGLKHVSA-N 0 3 315.442 3.276 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453344081 433110433 /nfs/dbraw/zinc/11/04/33/433110433.db2.gz GVHHOPZICJXXAQ-HUUCEWRRSA-N 0 3 317.351 3.310 20 30 DGEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000290605399 433114122 /nfs/dbraw/zinc/11/41/22/433114122.db2.gz ZNTYGHNRXMLEEE-KRWDZBQOSA-N 0 3 322.368 3.153 20 30 DGEDHN Cn1cc(CNCCC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000350247514 433116775 /nfs/dbraw/zinc/11/67/75/433116775.db2.gz KZARGSLQQBLSDP-UHFFFAOYSA-N 0 3 308.307 3.001 20 30 DGEDHN CCN(CC)[C@H](CNc1cc(C)ncc1C#N)c1ccsc1 ZINC000425207045 433120472 /nfs/dbraw/zinc/12/04/72/433120472.db2.gz MCGVKXOMDGBUMJ-QGZVFWFLSA-N 0 3 314.458 3.240 20 30 DGEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336657410 433173756 /nfs/dbraw/zinc/17/37/56/433173756.db2.gz RKWRFDAENDQQMU-HXUWFJFHSA-N 0 3 305.425 3.265 20 30 DGEDHN COc1cc(CN2CC[C@@H](Nc3ccccc3)C2)ccc1C#N ZINC000374204425 433178557 /nfs/dbraw/zinc/17/85/57/433178557.db2.gz JMUPWPSLPYGLKI-GOSISDBHSA-N 0 3 307.397 3.253 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1nc2c(cc1C#N)CCC2 ZINC000336732572 433183185 /nfs/dbraw/zinc/18/31/85/433183185.db2.gz ZRLCMWORFCNGIK-HNNXBMFYSA-N 0 3 320.440 3.374 20 30 DGEDHN N#Cc1csc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000425358151 433196308 /nfs/dbraw/zinc/19/63/08/433196308.db2.gz ZMCSEVZJHPQTSA-PKOBYXMFSA-N 0 3 323.465 3.326 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)s1 ZINC000425355072 433197551 /nfs/dbraw/zinc/19/75/51/433197551.db2.gz TXHBKUMSAPHDAY-QFBILLFUSA-N 0 3 323.465 3.326 20 30 DGEDHN C=CCC[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000420821812 433268413 /nfs/dbraw/zinc/26/84/13/433268413.db2.gz SAWKKPRWBVSEAB-ROUUACIJSA-N 0 3 315.461 3.430 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)(F)F)nc2)nc(C)n1 ZINC000453587503 433218633 /nfs/dbraw/zinc/21/86/33/433218633.db2.gz XTBDFPJGPSHKCO-LBPRGKRZSA-N 0 3 316.311 3.090 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](CO)CC2)cc1Cl ZINC000354687373 433219008 /nfs/dbraw/zinc/21/90/08/433219008.db2.gz FLYXLWWSAAUNIG-AWEZNQCLSA-N 0 3 309.837 3.499 20 30 DGEDHN C=CCC[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000420821808 433268569 /nfs/dbraw/zinc/26/85/69/433268569.db2.gz SAWKKPRWBVSEAB-MSOLQXFVSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@H](CO)NCc1sc(C)cc1Br ZINC000453603784 433230606 /nfs/dbraw/zinc/23/06/06/433230606.db2.gz VDPSQQVLFPPLPM-SNVBAGLBSA-N 0 3 304.253 3.236 20 30 DGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291277391 433234007 /nfs/dbraw/zinc/23/40/07/433234007.db2.gz QBCXBRGMIHCFHD-CQSZACIVSA-N 0 3 314.433 3.197 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(CN(C)C)cc1F)OCC ZINC000412562349 433242610 /nfs/dbraw/zinc/24/26/10/433242610.db2.gz WPOKMXMCJCGSHB-MRXNPFEDSA-N 0 3 308.397 3.197 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@H]2CC[C@@H](C)O2)ccc1OC ZINC000453625906 433248916 /nfs/dbraw/zinc/24/89/16/433248916.db2.gz FMSPEPWQJICBCH-ZBFHGGJFSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCCCC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000374937782 433315993 /nfs/dbraw/zinc/31/59/93/433315993.db2.gz SYZKVFAEPXFCRJ-UHFFFAOYSA-N 0 3 316.445 3.110 20 30 DGEDHN C=CCC1(CNC(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000454209396 433323917 /nfs/dbraw/zinc/32/39/17/433323917.db2.gz JEVZLGWWBMTIGK-UHFFFAOYSA-N 0 3 305.466 3.049 20 30 DGEDHN Cc1ccccc1OC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425548805 433294005 /nfs/dbraw/zinc/29/40/05/433294005.db2.gz YNYVZIBPPPHDKM-VQIMIIECSA-N 0 3 324.424 3.299 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000414012209 433351705 /nfs/dbraw/zinc/35/17/05/433351705.db2.gz RTHPLHWUUMPKNB-QGZVFWFLSA-N 0 3 321.424 3.248 20 30 DGEDHN C[C@H](CCC#N)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299206879 433351853 /nfs/dbraw/zinc/35/18/53/433351853.db2.gz GYNMYDDRVFKKAR-CYBMUJFWSA-N 0 3 303.362 3.130 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cc2n(n1)CCC2)C(C)C ZINC000414053161 433365804 /nfs/dbraw/zinc/36/58/04/433365804.db2.gz AMSVCOMYPHJLDN-APWZRJJASA-N 0 3 316.493 3.179 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375012520 433332661 /nfs/dbraw/zinc/33/26/61/433332661.db2.gz LPWXIXRUDHLYKI-IRXDYDNUSA-N 0 3 314.429 3.205 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)c(F)c1 ZINC000291758240 433336783 /nfs/dbraw/zinc/33/67/83/433336783.db2.gz RAJGJVRUHLOJJP-HNNXBMFYSA-N 0 3 313.351 3.205 20 30 DGEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000448001298 433343624 /nfs/dbraw/zinc/34/36/24/433343624.db2.gz QDEMVSPFAKNDFS-OAHLLOKOSA-N 0 3 317.433 3.401 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1COc2ccccc21 ZINC000426144776 433426536 /nfs/dbraw/zinc/42/65/36/433426536.db2.gz WMWMDMIGNHMINL-IRXDYDNUSA-N 0 3 320.392 3.051 20 30 DGEDHN COc1ccc([C@H](O)C2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000292024931 433431326 /nfs/dbraw/zinc/43/13/26/433431326.db2.gz YPAQZGFRFLIBEJ-SFHVURJKSA-N 0 3 316.445 3.380 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000454451260 433431421 /nfs/dbraw/zinc/43/14/21/433431421.db2.gz IWFDWAYTXFITSJ-MRXNPFEDSA-N 0 3 303.450 3.109 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000421030682 433396534 /nfs/dbraw/zinc/39/65/34/433396534.db2.gz ZBDOGUHCDBHSCJ-KRWDZBQOSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCNC(=O)CN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414113098 433404664 /nfs/dbraw/zinc/40/46/64/433404664.db2.gz RNOSAOUPTYOICQ-HOCLYGCPSA-N 0 3 306.837 3.258 20 30 DGEDHN C#CCOc1ccccc1CN1CCC(c2c[nH]nc2C)CC1 ZINC000375273128 433409436 /nfs/dbraw/zinc/40/94/36/433409436.db2.gz XMUSFMBXUKBALQ-UHFFFAOYSA-N 0 3 309.413 3.110 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292036251 433435996 /nfs/dbraw/zinc/43/59/96/433435996.db2.gz ZHUYKNLGXDUGBV-LJQANCHMSA-N 0 3 300.446 3.243 20 30 DGEDHN C=CC[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454523806 433462155 /nfs/dbraw/zinc/46/21/55/433462155.db2.gz LSFIEGHHQKPQBN-SJORKVTESA-N 0 3 315.461 3.115 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1NCCN1CCCCCC1 ZINC000301250333 433473238 /nfs/dbraw/zinc/47/32/38/433473238.db2.gz BVSBAGXZTRIJGC-UHFFFAOYSA-N 0 3 312.339 3.260 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245799604 290220685 /nfs/dbraw/zinc/22/06/85/290220685.db2.gz PBLUPKOJQNPFPO-DKSSEZFCSA-N 0 3 323.440 3.095 20 30 DGEDHN C[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000414281113 433510473 /nfs/dbraw/zinc/51/04/73/433510473.db2.gz ARKLEDKVRRCSET-WFASDCNBSA-N 0 3 316.351 3.263 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1OC ZINC000421373966 433519810 /nfs/dbraw/zinc/51/98/10/433519810.db2.gz OJNBCCUPSQDAKY-MRXNPFEDSA-N 0 3 317.429 3.139 20 30 DGEDHN Cc1cc(CN[C@@H](CN(C)C)c2ccc(F)cc2)ccc1C#N ZINC000342204306 433538274 /nfs/dbraw/zinc/53/82/74/433538274.db2.gz PCCVNKGXCWJXQW-IBGZPJMESA-N 0 3 311.404 3.398 20 30 DGEDHN N#Cc1cccc(NCC2(N3CCSCC3)CCCCC2)n1 ZINC000301289201 433490169 /nfs/dbraw/zinc/49/01/69/433490169.db2.gz SLUXLQYWQQWJFA-UHFFFAOYSA-N 0 3 316.474 3.117 20 30 DGEDHN CCN(CCNC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000455706420 433549560 /nfs/dbraw/zinc/54/95/60/433549560.db2.gz PYVZCRMKOMYCKI-UHFFFAOYSA-N 0 3 320.824 3.012 20 30 DGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000375740436 433550735 /nfs/dbraw/zinc/55/07/35/433550735.db2.gz FGAIDPOZLNWDHO-MISYRCLQSA-N 0 3 323.440 3.338 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](CCO)CC2)cc1OC ZINC000421404950 433552374 /nfs/dbraw/zinc/55/23/74/433552374.db2.gz ZULLNMMYDUNVBB-INIZCTEOSA-N 0 3 319.445 3.245 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(C)c(C#N)cc2Cl)CC1 ZINC000292566000 433578209 /nfs/dbraw/zinc/57/82/09/433578209.db2.gz JYXGXPOWVCDQRP-UHFFFAOYSA-N 0 3 304.825 3.368 20 30 DGEDHN C#Cc1cccc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000292658465 433586476 /nfs/dbraw/zinc/58/64/76/433586476.db2.gz ODCXXZGMNQFDFR-OAHLLOKOSA-N 0 3 311.429 3.006 20 30 DGEDHN C#CCN(C)CCCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000292718429 433591603 /nfs/dbraw/zinc/59/16/03/433591603.db2.gz AHROIJZJSCGHIA-UHFFFAOYSA-N 0 3 321.424 3.489 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000375847586 433592996 /nfs/dbraw/zinc/59/29/96/433592996.db2.gz MEYYOTVHZWBKTN-LJQANCHMSA-N 0 3 309.413 3.078 20 30 DGEDHN CCN1CCCC[C@@H]1CNc1nc2cc(Cl)ccn2c1C#N ZINC000342215618 433542622 /nfs/dbraw/zinc/54/26/22/433542622.db2.gz BLZUMXDCCFRUCB-CYBMUJFWSA-N 0 3 317.824 3.146 20 30 DGEDHN CCN(C(=O)CC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375732194 433543511 /nfs/dbraw/zinc/54/35/11/433543511.db2.gz OLXLJKVDRFVDQR-QGZVFWFLSA-N 0 3 313.445 3.049 20 30 DGEDHN C=C(CC)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000455526820 433544435 /nfs/dbraw/zinc/54/44/35/433544435.db2.gz UADGLCJMLBEFQD-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@H]1CC[C@@H](C)C1 ZINC000362146624 433546761 /nfs/dbraw/zinc/54/67/61/433546761.db2.gz BVEJUKOXHIUZAB-PBHICJAKSA-N 0 3 302.418 3.204 20 30 DGEDHN CC[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(C#N)cc1 ZINC000375723167 433547585 /nfs/dbraw/zinc/54/75/85/433547585.db2.gz DAEWGWYCLODTQQ-IBGZPJMESA-N 0 3 317.396 3.380 20 30 DGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000301537643 433599780 /nfs/dbraw/zinc/59/97/80/433599780.db2.gz RGYIFGSWLADQOZ-UHFFFAOYSA-N 0 3 319.405 3.446 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)C[C@@H]1CC=CCC1 ZINC000362244587 433601182 /nfs/dbraw/zinc/60/11/82/433601182.db2.gz MWFYYRAQEUJJKC-MRXNPFEDSA-N 0 3 314.429 3.372 20 30 DGEDHN C=CCCCN(CCO)Cc1ccc(Br)s1 ZINC000362247536 433604757 /nfs/dbraw/zinc/60/47/57/433604757.db2.gz ALGPRPBGFDZUBG-UHFFFAOYSA-N 0 3 304.253 3.271 20 30 DGEDHN Cc1[nH]c(C#N)cc1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000448901788 433605483 /nfs/dbraw/zinc/60/54/83/433605483.db2.gz XMKFWGZXECOACD-CYBMUJFWSA-N 0 3 324.428 3.054 20 30 DGEDHN C=CCOCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000293090997 433613123 /nfs/dbraw/zinc/61/31/23/433613123.db2.gz NCIXSOOAWAVGGG-QGZVFWFLSA-N 0 3 309.837 3.288 20 30 DGEDHN CCc1noc(C)c1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000293125586 433620682 /nfs/dbraw/zinc/62/06/82/433620682.db2.gz ZLNGDROXUPSEQT-UHFFFAOYSA-N 0 3 324.428 3.176 20 30 DGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H](CO)CC(C)(C)C ZINC000456429338 433661052 /nfs/dbraw/zinc/66/10/52/433661052.db2.gz CIOAGLMATZGLBJ-DLBZAZTESA-N 0 3 316.445 3.014 20 30 DGEDHN COc1ccc(CN[C@H]2CS[C@@H](C)C2)cc1OCCCC#N ZINC000414495452 433662132 /nfs/dbraw/zinc/66/21/32/433662132.db2.gz BOVKUENIUKRRRD-DZGCQCFKSA-N 0 3 320.458 3.361 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC1CCN(CC)CC1 ZINC000362387907 433680690 /nfs/dbraw/zinc/68/06/90/433680690.db2.gz CCZRSXPQTWMLGI-UHFFFAOYSA-N 0 3 304.459 3.179 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000362388854 433680925 /nfs/dbraw/zinc/68/09/25/433680925.db2.gz JWROOKJMIFBIOR-KGLIPLIRSA-N 0 3 304.459 3.177 20 30 DGEDHN C=CCc1cc(CN[C@H](C)C2(OC)CCC2)cc(OC)c1O ZINC000414520993 433683895 /nfs/dbraw/zinc/68/38/95/433683895.db2.gz DUOONBMHMRPHGY-CYBMUJFWSA-N 0 3 305.418 3.177 20 30 DGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000356778318 433690783 /nfs/dbraw/zinc/69/07/83/433690783.db2.gz QHRWPZIBMQKPDH-CJNGLKHVSA-N 0 3 308.385 3.290 20 30 DGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000356778325 433691925 /nfs/dbraw/zinc/69/19/25/433691925.db2.gz QHRWPZIBMQKPDH-XJKSGUPXSA-N 0 3 308.385 3.290 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000427573531 433729013 /nfs/dbraw/zinc/72/90/13/433729013.db2.gz KCOHHIAIPIMDQH-CQSZACIVSA-N 0 3 305.381 3.399 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000427573530 433729246 /nfs/dbraw/zinc/72/92/46/433729246.db2.gz KCOHHIAIPIMDQH-AWEZNQCLSA-N 0 3 305.381 3.399 20 30 DGEDHN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000339725833 433747816 /nfs/dbraw/zinc/74/78/16/433747816.db2.gz SHBATJBJIMBPKA-HNNXBMFYSA-N 0 3 324.371 3.046 20 30 DGEDHN COc1ccc(OCCN(C)Cc2ccc(CC#N)cc2)cc1 ZINC000342716172 433754592 /nfs/dbraw/zinc/75/45/92/433754592.db2.gz UXNFMDVKCQCVNL-UHFFFAOYSA-N 0 3 310.397 3.272 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC000449702280 433761163 /nfs/dbraw/zinc/76/11/63/433761163.db2.gz YICMQIWDNUHFCI-LBPRGKRZSA-N 0 3 304.217 3.419 20 30 DGEDHN C=C[C@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000362591464 433778071 /nfs/dbraw/zinc/77/80/71/433778071.db2.gz IVURITVTSIGQFT-JKSUJKDBSA-N 0 3 300.446 3.020 20 30 DGEDHN C[C@@H](Nc1nccc(C#N)c1Cl)[C@@H](c1ccccc1)N(C)C ZINC000343098805 433779828 /nfs/dbraw/zinc/77/98/28/433779828.db2.gz LFFQDJPLSNKCMO-WBMJQRKESA-N 0 3 314.820 3.710 20 30 DGEDHN CCC1(CC)CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000362600835 433781405 /nfs/dbraw/zinc/78/14/05/433781405.db2.gz HFDLHDIAWZNRNN-NVXWUHKLSA-N 0 3 307.482 3.332 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC2(C1)CCCC2)C(C)C ZINC000429941939 433785700 /nfs/dbraw/zinc/78/57/00/433785700.db2.gz HYAOUYSITKWABP-QGZVFWFLSA-N 0 3 319.493 3.271 20 30 DGEDHN C=CCOc1ccc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc1OC ZINC000449784826 433798512 /nfs/dbraw/zinc/79/85/12/433798512.db2.gz YNYCTRWKPVZVPO-CVEARBPZSA-N 0 3 317.429 3.117 20 30 DGEDHN Cc1ccnc(N2CCCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000343508685 433810012 /nfs/dbraw/zinc/81/00/12/433810012.db2.gz JGIMXXNBEJYQRC-KRWDZBQOSA-N 0 3 320.440 3.363 20 30 DGEDHN C=CCN1CCC(Nc2ccc(Br)cc2C#N)CC1 ZINC000302144103 433811008 /nfs/dbraw/zinc/81/10/08/433811008.db2.gz GGFIZMPUIFYBNG-UHFFFAOYSA-N 0 3 320.234 3.383 20 30 DGEDHN CCC[C@H]1CN(c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000302043974 433812649 /nfs/dbraw/zinc/81/26/49/433812649.db2.gz XHOUJHHFSJOEKG-IBGZPJMESA-N 0 3 320.440 3.444 20 30 DGEDHN N#Cc1cccc(OCCN2CCC(Cc3cccnc3)CC2)c1 ZINC000357007003 433815739 /nfs/dbraw/zinc/81/57/39/433815739.db2.gz DIFOFBWCQSKOJN-UHFFFAOYSA-N 0 3 321.424 3.287 20 30 DGEDHN CC1(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCC1 ZINC000432940190 433838045 /nfs/dbraw/zinc/83/80/45/433838045.db2.gz QUSYJLVXUNNLPU-UHFFFAOYSA-N 0 3 320.440 3.419 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC1CCN(CC=C)CC1 ZINC000362760440 433850774 /nfs/dbraw/zinc/85/07/74/433850774.db2.gz RAKTXMOIIBZKSQ-UHFFFAOYSA-N 0 3 316.470 3.345 20 30 DGEDHN N#Cc1cccc(C#N)c1NCC1CCN(c2ccncc2)CC1 ZINC000302876126 433895921 /nfs/dbraw/zinc/89/59/21/433895921.db2.gz FYUJFNSZLBYIHT-UHFFFAOYSA-N 0 3 317.396 3.153 20 30 DGEDHN COc1ccccc1[C@H](CNc1cccnc1C#N)N1CCCC1 ZINC000357316159 433950902 /nfs/dbraw/zinc/95/09/02/433950902.db2.gz OCDSHMLWGQAFOY-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN C=CCOCCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000293992852 433953380 /nfs/dbraw/zinc/95/33/80/433953380.db2.gz FOBKDVIIZKYLIG-AWEZNQCLSA-N 0 3 311.223 3.087 20 30 DGEDHN CC(C)[C@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000293995913 433958044 /nfs/dbraw/zinc/95/80/44/433958044.db2.gz RSFRGQZBXNHHRV-IAGOWNOFSA-N 0 3 309.413 3.134 20 30 DGEDHN CN(CCCN(C)Cc1ccc(C#N)cc1F)Cc1ccco1 ZINC000285496770 433971100 /nfs/dbraw/zinc/97/11/00/433971100.db2.gz CKROUBUPOGDUMK-UHFFFAOYSA-N 0 3 315.392 3.244 20 30 DGEDHN CC(C)(C#N)CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000377753415 433983072 /nfs/dbraw/zinc/98/30/72/433983072.db2.gz GHPOMOCMDMDJLH-UHFFFAOYSA-N 0 3 319.474 3.016 20 30 DGEDHN CC(C)N1CC[C@H](N(C)C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000457097491 433986616 /nfs/dbraw/zinc/98/66/16/433986616.db2.gz RYONVUFEKIFYTR-ROUUACIJSA-N 0 3 313.445 3.015 20 30 DGEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000285624169 434016793 /nfs/dbraw/zinc/01/67/93/434016793.db2.gz JYYWFDBMXJINJZ-UXEPBGEESA-N 0 3 317.408 3.041 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H](CO)CC2)ccc1OC ZINC000294182966 434030163 /nfs/dbraw/zinc/03/01/63/434030163.db2.gz XAEMUHPBDGBTON-INIZCTEOSA-N 0 3 319.445 3.245 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363411738 434045455 /nfs/dbraw/zinc/04/54/55/434045455.db2.gz MDOWVDOLORJJJB-SJLPKXTDSA-N 0 3 315.461 3.162 20 30 DGEDHN COCCCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000285578400 434000781 /nfs/dbraw/zinc/00/07/81/434000781.db2.gz ODYUTDDZQADLAV-UHFFFAOYSA-N 0 3 310.397 3.263 20 30 DGEDHN COc1cc(CNCc2cc3c(cccc3F)[nH]2)ccc1C#N ZINC000353181402 434068210 /nfs/dbraw/zinc/06/82/10/434068210.db2.gz FAPSBECOEAAVBS-UHFFFAOYSA-N 0 3 309.344 3.477 20 30 DGEDHN Cc1nn(C)cc1[C@H]1CCCN1CCCOc1cccc(C#N)c1 ZINC000363548184 434082480 /nfs/dbraw/zinc/08/24/80/434082480.db2.gz WZWQRINSWBAFNN-LJQANCHMSA-N 0 3 324.428 3.206 20 30 DGEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@H]1CCCC[C@@H]1O ZINC000305859567 434083912 /nfs/dbraw/zinc/08/39/12/434083912.db2.gz XOCLTKVDECGBSX-MJGOQNOKSA-N 0 3 316.445 3.352 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363411737 434048482 /nfs/dbraw/zinc/04/84/82/434048482.db2.gz MDOWVDOLORJJJB-FUHWJXTLSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCN1CCC(Nc2nccc(-c3ccc(OC)cc3)n2)CC1 ZINC000450320254 434102310 /nfs/dbraw/zinc/10/23/10/434102310.db2.gz VBKJHMGDBBGEBX-UHFFFAOYSA-N 0 3 324.428 3.215 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416335499 434103886 /nfs/dbraw/zinc/10/38/86/434103886.db2.gz VNTNFXBROHKAAN-UHFFFAOYSA-N 0 3 320.433 3.176 20 30 DGEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000353415110 434121180 /nfs/dbraw/zinc/12/11/80/434121180.db2.gz UTPDMQBGWRAFHY-KRWDZBQOSA-N 0 3 308.381 3.353 20 30 DGEDHN N#Cc1sc(N2CC[C@H]3[C@H](CCCN3C3CC3)C2)nc1Cl ZINC000286063499 434153914 /nfs/dbraw/zinc/15/39/14/434153914.db2.gz BTGVYCLIAXGIQJ-PWSUYJOCSA-N 0 3 322.865 3.121 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000357740429 434156779 /nfs/dbraw/zinc/15/67/79/434156779.db2.gz JOSBKBVRKULQQL-CVEARBPZSA-N 0 3 305.466 3.182 20 30 DGEDHN N#CCCn1cc(CNCC2=CCCCC2)c(-c2ccncc2)n1 ZINC000295069056 434179623 /nfs/dbraw/zinc/17/96/23/434179623.db2.gz HFAPKWLVEZIODC-UHFFFAOYSA-N 0 3 321.428 3.449 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CC(C)C1)c1ccccc1 ZINC000321543890 434249029 /nfs/dbraw/zinc/24/90/29/434249029.db2.gz VAAMXMUHGOACRI-RMXPPQQLSA-N 0 3 313.445 3.126 20 30 DGEDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000379673652 434260812 /nfs/dbraw/zinc/26/08/12/434260812.db2.gz RHKYQQONFXESTJ-DNVCBOLYSA-N 0 3 320.440 3.727 20 30 DGEDHN CC[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(N)=O ZINC000378617907 434239050 /nfs/dbraw/zinc/23/90/50/434239050.db2.gz BXHCKCLEIATEFI-FZKQIMNGSA-N 0 3 307.397 3.140 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)CCCC1 ZINC000450584206 434280799 /nfs/dbraw/zinc/28/07/99/434280799.db2.gz WJURJGXSODGFJI-HZPDHXFCSA-N 0 3 322.518 3.161 20 30 DGEDHN Cc1nc(N2CCCN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000383086169 434281348 /nfs/dbraw/zinc/28/13/48/434281348.db2.gz KYLUKEBMPQTERX-MRXNPFEDSA-N 0 3 320.440 3.363 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCOC1 ZINC000348142952 434285348 /nfs/dbraw/zinc/28/53/48/434285348.db2.gz OAJSEULFGRKRIG-BXUZGUMPSA-N 0 3 310.344 3.064 20 30 DGEDHN N#Cc1ccc(OCCN2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000437544144 434287566 /nfs/dbraw/zinc/28/75/66/434287566.db2.gz XGFDPDOIXXDUEM-IRXDYDNUSA-N 0 3 302.443 3.297 20 30 DGEDHN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cc(C#N)n(C)c2)c1 ZINC000365254014 434290134 /nfs/dbraw/zinc/29/01/34/434290134.db2.gz FQRYHWZWRBZYHA-AUUYWEPGSA-N 0 3 309.413 3.488 20 30 DGEDHN C[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000437593017 434296104 /nfs/dbraw/zinc/29/61/04/434296104.db2.gz MXBKEGURQVGBKQ-OAHLLOKOSA-N 0 3 324.403 3.018 20 30 DGEDHN CC(C)(C)c1cnc(CNC(=O)C2CCN(C3CC3)CC2)o1 ZINC000328712112 434300430 /nfs/dbraw/zinc/30/04/30/434300430.db2.gz CETBKDCHBPINSA-UHFFFAOYSA-N 0 3 305.422 3.303 20 30 DGEDHN CN1CC=C(CNC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328760795 434309545 /nfs/dbraw/zinc/30/95/45/434309545.db2.gz XTPYCSSTLZCMMG-UHFFFAOYSA-N 0 3 303.406 3.289 20 30 DGEDHN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1CCCN1C1CCCC1 ZINC000328899259 434325750 /nfs/dbraw/zinc/32/57/50/434325750.db2.gz YUAPVZMIQCFEMD-KURKYZTESA-N 0 3 314.429 3.008 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000295480421 434381495 /nfs/dbraw/zinc/38/14/95/434381495.db2.gz RJJHMSHZBGQKJK-HUUCEWRRSA-N 0 3 313.445 3.223 20 30 DGEDHN CC(C)c1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000392073937 434386874 /nfs/dbraw/zinc/38/68/74/434386874.db2.gz ZWQAAQCBACRXEJ-IBGZPJMESA-N 0 3 324.424 3.211 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000450754747 434390113 /nfs/dbraw/zinc/39/01/13/434390113.db2.gz IKAJNHSMCGAASN-KRWDZBQOSA-N 0 3 300.446 3.225 20 30 DGEDHN Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H](C)C2(CCC2)C1 ZINC000329101967 434358372 /nfs/dbraw/zinc/35/83/72/434358372.db2.gz FHVUMMIPOBSPEK-HUUCEWRRSA-N 0 3 318.465 3.254 20 30 DGEDHN Cc1nsc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000329371682 434400119 /nfs/dbraw/zinc/40/01/19/434400119.db2.gz KDSXHKNVCGIIMP-IUODEOHRSA-N 0 3 312.442 3.398 20 30 DGEDHN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@@H]1CCCN1C1CCCC1 ZINC000329379657 434402542 /nfs/dbraw/zinc/40/25/42/434402542.db2.gz NBZFBPBLJREUDH-CABCVRRESA-N 0 3 302.422 3.151 20 30 DGEDHN N#Cc1cccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1F ZINC000340871500 434405671 /nfs/dbraw/zinc/40/56/71/434405671.db2.gz AGKWVHCUPBPWNJ-YJBOKZPZSA-N 0 3 313.420 3.146 20 30 DGEDHN CNC(=O)C1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000329424131 434408117 /nfs/dbraw/zinc/40/81/17/434408117.db2.gz IMCGEPAMJIGMFG-XUJLQICISA-N 0 3 321.465 3.495 20 30 DGEDHN Cc1cccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000358848883 434410319 /nfs/dbraw/zinc/41/03/19/434410319.db2.gz IGNASHZMRKZFJO-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000295563752 434417673 /nfs/dbraw/zinc/41/76/73/434417673.db2.gz YCMHUMLDJVHQMB-AUUYWEPGSA-N 0 3 313.445 3.269 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)N(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000329536942 434428104 /nfs/dbraw/zinc/42/81/04/434428104.db2.gz BHODCAPGMFVVJT-QIIPPGSGSA-N 0 3 324.428 3.264 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)N(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000329536942 434428105 /nfs/dbraw/zinc/42/81/05/434428105.db2.gz BHODCAPGMFVVJT-QIIPPGSGSA-N 0 3 324.428 3.264 20 30 DGEDHN Cc1nc(NCCN(C)Cc2ccccc2)c(Cl)cc1C#N ZINC000359878018 434449056 /nfs/dbraw/zinc/44/90/56/434449056.db2.gz MYRLJHGZACKSTM-UHFFFAOYSA-N 0 3 314.820 3.459 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000295833562 434439610 /nfs/dbraw/zinc/43/96/10/434439610.db2.gz ACSHSQCNKNTDSN-GOSISDBHSA-N 0 3 324.428 3.228 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1nccn1CC)C(C)C ZINC000295989248 434465344 /nfs/dbraw/zinc/46/53/44/434465344.db2.gz NPSXFGSEKWUPEJ-IRXDYDNUSA-N 0 3 304.482 3.252 20 30 DGEDHN Cc1ccc(CNC2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000438459308 434483155 /nfs/dbraw/zinc/48/31/55/434483155.db2.gz KDMGLPZHPOYQFF-UHFFFAOYSA-N 0 3 311.385 3.335 20 30 DGEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1CCCCC12CCCC2 ZINC000329825634 434486903 /nfs/dbraw/zinc/48/69/03/434486903.db2.gz QYAUTMACYZADNP-HUUCEWRRSA-N 0 3 316.449 3.205 20 30 DGEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@H]1C1CCCC1 ZINC000329896339 434501164 /nfs/dbraw/zinc/50/11/64/434501164.db2.gz KVJMLKGDCPUTMH-HOCLYGCPSA-N 0 3 316.449 3.014 20 30 DGEDHN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)c1cccc(C#N)c1 ZINC000359851190 434451014 /nfs/dbraw/zinc/45/10/14/434451014.db2.gz WOXGSNZJSCRDRO-DNVCBOLYSA-N 0 3 321.424 3.081 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000404741535 434518924 /nfs/dbraw/zinc/51/89/24/434518924.db2.gz BHJNFGKLTKQFLR-NEPJUHHUSA-N 0 3 321.396 3.089 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458191735 434520276 /nfs/dbraw/zinc/52/02/76/434520276.db2.gz BBJFSGYJEHFCJQ-GOSISDBHSA-N 0 3 304.434 3.476 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000367543190 434551074 /nfs/dbraw/zinc/55/10/74/434551074.db2.gz YRWAYASJDALSEB-INIZCTEOSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC000368229907 434567965 /nfs/dbraw/zinc/56/79/65/434567965.db2.gz YCXICTFMHZVEIE-LJQANCHMSA-N 0 3 319.445 3.100 20 30 DGEDHN N#Cc1c(CN2CCC[C@H]2C2CCOCC2)cn2ccccc12 ZINC000348952248 434563066 /nfs/dbraw/zinc/56/30/66/434563066.db2.gz UYWLEHFDILQKTA-SFHVURJKSA-N 0 3 309.413 3.202 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@H]2CCCO[C@@H]21 ZINC000451483595 434571293 /nfs/dbraw/zinc/57/12/93/434571293.db2.gz YIAXTRMEKCQJJN-ZACQAIPSSA-N 0 3 303.833 3.485 20 30 DGEDHN Cn1cc(CN2CC(C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000368583011 434577773 /nfs/dbraw/zinc/57/77/73/434577773.db2.gz HHMOKIPMIJYFKJ-UHFFFAOYSA-N 0 3 306.413 3.191 20 30 DGEDHN CC(C)(CCC#N)CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000369482232 434595562 /nfs/dbraw/zinc/59/55/62/434595562.db2.gz AEANCTIPACNTDW-CQSZACIVSA-N 0 3 305.397 3.394 20 30 DGEDHN CC(C)(CCC#N)CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000369482231 434596072 /nfs/dbraw/zinc/59/60/72/434596072.db2.gz AEANCTIPACNTDW-AWEZNQCLSA-N 0 3 305.397 3.394 20 30 DGEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H](O)c1cccc(F)c1 ZINC000370474867 434614332 /nfs/dbraw/zinc/61/43/32/434614332.db2.gz CMZJXXATAIMVTC-VVXDDCKHSA-N 0 3 324.399 3.461 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000424068093 434614836 /nfs/dbraw/zinc/61/48/36/434614836.db2.gz QZINRNLZCVFYSU-OALUTQOASA-N 0 3 321.424 3.108 20 30 DGEDHN CCn1cc(CCN2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000370744004 434617560 /nfs/dbraw/zinc/61/75/60/434617560.db2.gz ZTVUIHWVBUDEDG-UHFFFAOYSA-N 0 3 306.413 3.106 20 30 DGEDHN CCC(CC)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424091236 434619274 /nfs/dbraw/zinc/61/92/74/434619274.db2.gz NVUKWRDAOFIAHQ-SJORKVTESA-N 0 3 301.434 3.301 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000424090111 434619757 /nfs/dbraw/zinc/61/97/57/434619757.db2.gz JZNPWYUMSABJHF-IRXDYDNUSA-N 0 3 317.408 3.194 20 30 DGEDHN CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424092926 434619771 /nfs/dbraw/zinc/61/97/71/434619771.db2.gz QWZZKKCQOAJCJZ-HZPDHXFCSA-N 0 3 319.424 3.440 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000424089053 434620745 /nfs/dbraw/zinc/62/07/45/434620745.db2.gz ADYKBTQHKVSDLW-GOSISDBHSA-N 0 3 323.396 3.116 20 30 DGEDHN CCC(CC)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424091234 434620983 /nfs/dbraw/zinc/62/09/83/434620983.db2.gz NVUKWRDAOFIAHQ-IAGOWNOFSA-N 0 3 301.434 3.301 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000424111354 434624148 /nfs/dbraw/zinc/62/41/48/434624148.db2.gz GFXQUPCWIFWLKF-IBGZPJMESA-N 0 3 319.408 3.217 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000424110616 434624443 /nfs/dbraw/zinc/62/44/43/434624443.db2.gz DTYUETGWBZYDQP-KRWDZBQOSA-N 0 3 323.396 3.116 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1Cl ZINC000424115630 434625699 /nfs/dbraw/zinc/62/56/99/434625699.db2.gz AQYMJCZMYNQSLX-JOYOIKCWSA-N 0 3 314.216 3.192 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000424122162 434627234 /nfs/dbraw/zinc/62/72/34/434627234.db2.gz GOYVHLHYHVQEIJ-QAPCUYQASA-N 0 3 324.428 3.243 20 30 DGEDHN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H](N)CCCC#N ZINC000424122496 434628136 /nfs/dbraw/zinc/62/81/36/434628136.db2.gz JMTWGZHVDBLUTO-QAPCUYQASA-N 0 3 313.445 3.397 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000424122163 434628147 /nfs/dbraw/zinc/62/81/47/434628147.db2.gz GOYVHLHYHVQEIJ-YJBOKZPZSA-N 0 3 324.428 3.243 20 30 DGEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1ccccc1 ZINC000424122222 434628407 /nfs/dbraw/zinc/62/84/07/434628407.db2.gz IYPOSMCMHTUGSV-WBVHZDCISA-N 0 3 301.434 3.397 20 30 DGEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](N)CCCC#N ZINC000424126009 434630306 /nfs/dbraw/zinc/63/03/06/434630306.db2.gz OKNIVJZNYLIFFV-MSOLQXFVSA-N 0 3 315.461 3.186 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc2ccccc2s1 ZINC000424142562 434633656 /nfs/dbraw/zinc/63/36/56/434633656.db2.gz PWIHVWJNVWOKKC-WCQYABFASA-N 0 3 301.415 3.100 20 30 DGEDHN CC[C@@H]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452524793 434637149 /nfs/dbraw/zinc/63/71/49/434637149.db2.gz IBZDUHUPONPDPE-FGTMMUONSA-N 0 3 309.413 3.183 20 30 DGEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1nc2c(s1)CCC2 ZINC000459634163 434640991 /nfs/dbraw/zinc/64/09/91/434640991.db2.gz QIJDGRCVEXVVCE-ZDUSSCGKSA-N 0 3 319.474 3.383 20 30 DGEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)cc(C)c1Br ZINC000424163849 434642317 /nfs/dbraw/zinc/64/23/17/434642317.db2.gz AUJVDLJICWZEKF-GFCCVEGCSA-N 0 3 324.222 3.026 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)CCOCC1CCCC1 ZINC000459539524 434599496 /nfs/dbraw/zinc/59/94/96/434599496.db2.gz UBSUTGXNJUUYIL-UHFFFAOYSA-N 0 3 316.445 3.213 20 30 DGEDHN N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)c(Cl)c1 ZINC000439444150 434604309 /nfs/dbraw/zinc/60/43/09/434604309.db2.gz BJBGHXYTCYDYBB-INIZCTEOSA-N 0 3 319.836 3.126 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424062603 434611802 /nfs/dbraw/zinc/61/18/02/434611802.db2.gz HCVSZFUPBZANKC-NOZJJQNGSA-N 0 3 314.216 3.192 20 30 DGEDHN CN(Cc1ccccc1)C1(CNC(=O)CC(C)(C)C#N)CCC1 ZINC000452734125 434698558 /nfs/dbraw/zinc/69/85/58/434698558.db2.gz USUSRMWNNLFWEO-UHFFFAOYSA-N 0 3 313.445 3.097 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1cccc(C#N)c1F)C(C)C ZINC000360664002 434660972 /nfs/dbraw/zinc/66/09/72/434660972.db2.gz MXLLLFMAUVIDHX-KRWDZBQOSA-N 0 3 306.381 3.155 20 30 DGEDHN CC(C)(CC#N)CNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000459688963 434666643 /nfs/dbraw/zinc/66/66/43/434666643.db2.gz IJYITXVVRKCLRF-QGZVFWFLSA-N 0 3 302.418 3.274 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000439973818 434667108 /nfs/dbraw/zinc/66/71/08/434667108.db2.gz OMENLBSSJGEPPS-LLVKDONJSA-N 0 3 321.218 3.315 20 30 DGEDHN CC(C)(CC#N)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000459696418 434668660 /nfs/dbraw/zinc/66/86/60/434668660.db2.gz PMLCZKSIJREMMJ-UHFFFAOYSA-N 0 3 321.428 3.493 20 30 DGEDHN COc1cc(CNC[C@H](c2cccs2)N(C)C)ccc1C#N ZINC000440820817 434746590 /nfs/dbraw/zinc/74/65/90/434746590.db2.gz ZSGVRUFPWSAATL-OAHLLOKOSA-N 0 3 315.442 3.021 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000411072491 434711828 /nfs/dbraw/zinc/71/18/28/434711828.db2.gz UHBMVLBUDLAFBX-MSOLQXFVSA-N 0 3 309.413 3.326 20 30 DGEDHN C[C@H](CCC#N)N(C)CCOc1ccc(Br)cc1 ZINC000411157734 434732552 /nfs/dbraw/zinc/73/25/52/434732552.db2.gz NCULIGUKJOKWSX-GFCCVEGCSA-N 0 3 311.223 3.452 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCNC1(c2ccc(F)cc2)CC1 ZINC000411366794 434768905 /nfs/dbraw/zinc/76/89/05/434768905.db2.gz KGXZTXQPBUOUMI-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CCCC)CCOCC1 ZINC000424627085 434763683 /nfs/dbraw/zinc/76/36/83/434763683.db2.gz KEHOCVWIYFTPLN-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419335743 434773674 /nfs/dbraw/zinc/77/36/74/434773674.db2.gz WGXGBLAAIPDDCP-BZUAXINKSA-N 0 3 307.482 3.141 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000411392330 434774328 /nfs/dbraw/zinc/77/43/28/434774328.db2.gz UVYDAPHYNUFZSY-RBUKOAKNSA-N 0 3 319.408 3.362 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000372002130 434783574 /nfs/dbraw/zinc/78/35/74/434783574.db2.gz DBSIIXYTRIGBEY-WMZOPIPTSA-N 0 3 300.446 3.322 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000372002129 434783979 /nfs/dbraw/zinc/78/39/79/434783979.db2.gz DBSIIXYTRIGBEY-SJLPKXTDSA-N 0 3 300.446 3.322 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000424721271 434788136 /nfs/dbraw/zinc/78/81/36/434788136.db2.gz LIVCAZKIUIXVIQ-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN COCCOc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000411446082 434781616 /nfs/dbraw/zinc/78/16/16/434781616.db2.gz HZVFTCDTXLRPFM-KBPBESRZSA-N 0 3 306.406 3.063 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000424771520 434799782 /nfs/dbraw/zinc/79/97/82/434799782.db2.gz KOPRUZZJJFDVLK-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000424788385 434803826 /nfs/dbraw/zinc/80/38/26/434803826.db2.gz IVLOHOGELWSQGR-IRXDYDNUSA-N 0 3 315.461 3.135 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(SC)cc1 ZINC000411655991 434811592 /nfs/dbraw/zinc/81/15/92/434811592.db2.gz OJPLCIIWJSJWPX-GJZGRUSLSA-N 0 3 307.459 3.189 20 30 DGEDHN C[C@@H](CCC#N)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000411647127 434811933 /nfs/dbraw/zinc/81/19/33/434811933.db2.gz NQPDWVHMAHRKLO-JKSUJKDBSA-N 0 3 308.429 3.438 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000424826890 434812373 /nfs/dbraw/zinc/81/23/73/434812373.db2.gz LVFOIWVIAPMOCR-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN N#Cc1cccc(OCCN2CCSC3(CCC3)CC2)c1 ZINC000411863253 434838438 /nfs/dbraw/zinc/83/84/38/434838438.db2.gz BVHQGTFGCJGKAO-UHFFFAOYSA-N 0 3 302.443 3.299 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000411876979 434839512 /nfs/dbraw/zinc/83/95/12/434839512.db2.gz BUHRQEUDGYRQQF-YXJHDRRASA-N 0 3 301.434 3.170 20 30 DGEDHN CC(C)(C)C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1(C)C ZINC000412037758 434858921 /nfs/dbraw/zinc/85/89/21/434858921.db2.gz NPRMGFXBVDGTQJ-CQSZACIVSA-N 0 3 305.466 3.086 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000491917328 434882665 /nfs/dbraw/zinc/88/26/65/434882665.db2.gz YHMDESKTZHSAQG-CMDGGOBGSA-N 0 3 322.408 3.050 20 30 DGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000573318126 434888578 /nfs/dbraw/zinc/88/85/78/434888578.db2.gz GSLJRBWFHMWDDS-KBRIMQKVSA-N 0 3 301.365 3.079 20 30 DGEDHN C=C(C)COc1cccc(NC2CCN(CCOC)CC2)c1 ZINC000461833564 434888794 /nfs/dbraw/zinc/88/87/94/434888794.db2.gz NDIBSLBQRBWGCS-UHFFFAOYSA-N 0 3 304.434 3.164 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](OC)C1CCOCC1 ZINC000637959419 434916683 /nfs/dbraw/zinc/91/66/83/434916683.db2.gz FFFIPAJOMUMINC-IBGZPJMESA-N 0 3 319.445 3.125 20 30 DGEDHN C#C[C@@H](NC1CCN(C(=O)OCC)CC1)c1ccc(Cl)cc1 ZINC000491809425 434865822 /nfs/dbraw/zinc/86/58/22/434865822.db2.gz YENDUWLJAXMVBK-MRXNPFEDSA-N 0 3 320.820 3.225 20 30 DGEDHN C=CCCCCCN(C)CC(=O)N1CCc2ccccc2C1 ZINC000523555635 434954535 /nfs/dbraw/zinc/95/45/35/434954535.db2.gz RWLJRBBKSUEIPH-UHFFFAOYSA-N 0 3 300.446 3.250 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc3cnn(C)c3c2)c1 ZINC000555245291 434967115 /nfs/dbraw/zinc/96/71/15/434967115.db2.gz DZUYWWHYRMEHQQ-UHFFFAOYSA-N 0 3 307.397 3.428 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN1CCC(C)(C)C1 ZINC000573814976 434927600 /nfs/dbraw/zinc/92/76/00/434927600.db2.gz OSMVPTNWNABNJA-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN COc1ccc(CN[C@@]2(C)CCO[C@@H]2C)cc1OCCCC#N ZINC000344390126 533694357 /nfs/dbraw/zinc/69/43/57/533694357.db2.gz HGXWQCOMKAUIJR-KDOFPFPSSA-N 0 3 318.417 3.035 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@@H]2C1)C(C)C ZINC000465132215 435019681 /nfs/dbraw/zinc/01/96/81/435019681.db2.gz DDBHOFNTGSEKBS-KSZLIROESA-N 0 3 319.493 3.127 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Cc2ccccc2C)CC1 ZINC000528447912 435024698 /nfs/dbraw/zinc/02/46/98/435024698.db2.gz IPJSXCIIQCTHLL-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)C2CC2)cn1 ZINC000528850225 435029832 /nfs/dbraw/zinc/02/98/32/435029832.db2.gz SVDOOLXTKQDHIO-GOSISDBHSA-N 0 3 311.360 3.342 20 30 DGEDHN CN(C[C@@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1)C1CC1 ZINC000574684395 434996847 /nfs/dbraw/zinc/99/68/47/434996847.db2.gz FKUBPOLGOJYKEI-LJQANCHMSA-N 0 3 322.408 3.059 20 30 DGEDHN C=CCCCCN[C@H](CCSC)c1nnc2ccccn21 ZINC000574758648 435002055 /nfs/dbraw/zinc/00/20/55/435002055.db2.gz UZSNWJHRLDSIOW-CQSZACIVSA-N 0 3 304.463 3.469 20 30 DGEDHN COc1ccc([C@@H](CCC#N)NCCN2CC=C(C)CC2)cc1 ZINC000574872977 435003011 /nfs/dbraw/zinc/00/30/11/435003011.db2.gz PZPPWIZVBCNOPW-LJQANCHMSA-N 0 3 313.445 3.282 20 30 DGEDHN CC(C)C[C@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000525410723 435006612 /nfs/dbraw/zinc/00/66/12/435006612.db2.gz LFAGNBLJNBPGCR-AEFFLSMTSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000527224587 435012074 /nfs/dbraw/zinc/01/20/74/435012074.db2.gz CHWIMVNGSMIEJX-SFHVURJKSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000638616563 435058836 /nfs/dbraw/zinc/05/88/36/435058836.db2.gz NJITWUQPUOFKQT-IPMKNSEASA-N 0 3 317.429 3.068 20 30 DGEDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000577122083 435060152 /nfs/dbraw/zinc/06/01/52/435060152.db2.gz MJWCSEOAGDFTKN-MRXNPFEDSA-N 0 3 317.477 3.087 20 30 DGEDHN C=C[C@@H](CC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000576043426 435054695 /nfs/dbraw/zinc/05/46/95/435054695.db2.gz MZFMMFCOWFQMCT-HNNXBMFYSA-N 0 3 322.408 3.467 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000466783667 435093291 /nfs/dbraw/zinc/09/32/91/435093291.db2.gz ZIZRSJMQYHYSEH-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)CC1(C)CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000578749857 435108063 /nfs/dbraw/zinc/10/80/63/435108063.db2.gz LWSHEMDQHWEDCA-UHFFFAOYSA-N 0 3 311.433 3.249 20 30 DGEDHN CC(C)C1CCC(N(C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000579008114 435125202 /nfs/dbraw/zinc/12/52/02/435125202.db2.gz JNSQLTNZVDFPNX-UHFFFAOYSA-N 0 3 311.433 3.248 20 30 DGEDHN C=CCOCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495525020 435204269 /nfs/dbraw/zinc/20/42/69/435204269.db2.gz RIJVOGANJMADLI-CVEARBPZSA-N 0 3 324.465 3.053 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000560451629 435168765 /nfs/dbraw/zinc/16/87/65/435168765.db2.gz VNKBRJDQMWPMLZ-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN C[C@H]1C[C@H](Nc2cccc(Br)c2C#N)CN1C1CC1 ZINC000579657694 435171128 /nfs/dbraw/zinc/17/11/28/435171128.db2.gz FVEICCWMTYKDNS-QWRGUYRKSA-N 0 3 320.234 3.358 20 30 DGEDHN CC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000533298285 435223590 /nfs/dbraw/zinc/22/35/90/435223590.db2.gz OOGQWCHHSGZGJD-CVEARBPZSA-N 0 3 305.466 3.230 20 30 DGEDHN CCC[C@H]1CN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000561291028 435210600 /nfs/dbraw/zinc/21/06/00/435210600.db2.gz LIQTYPKPLNARGU-FQEVSTJZSA-N 0 3 320.440 3.444 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496402722 435212049 /nfs/dbraw/zinc/21/20/49/435212049.db2.gz YEMKEAMFOHIBBR-KFWWJZLASA-N 0 3 309.454 3.161 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000533400096 435236377 /nfs/dbraw/zinc/23/63/77/435236377.db2.gz FJNXORLPEWNOAV-DLBZAZTESA-N 0 3 300.446 3.311 20 30 DGEDHN CN(C)C(=O)O[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000496656016 435237256 /nfs/dbraw/zinc/23/72/56/435237256.db2.gz UTXYHZABJATNOO-HNNXBMFYSA-N 0 3 307.438 3.013 20 30 DGEDHN N#CC1(CN[C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000582397145 435239035 /nfs/dbraw/zinc/23/90/35/435239035.db2.gz QZEJHPMRDBEHCH-AWEZNQCLSA-N 0 3 305.219 3.200 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1cc(CN(C)C)ccc1OC)OCC ZINC000533692245 435252224 /nfs/dbraw/zinc/25/22/24/435252224.db2.gz GAIFMGSUAQOHTG-KRWDZBQOSA-N 0 3 320.433 3.067 20 30 DGEDHN C=CC[C@@H]1N(Cc2cccc(C(=O)OC)n2)CCCC1(C)C ZINC000562590066 435260620 /nfs/dbraw/zinc/26/06/20/435260620.db2.gz NKFZLNIMELKATN-INIZCTEOSA-N 0 3 302.418 3.435 20 30 DGEDHN N#CC1CCC(CN[C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000562463417 435259619 /nfs/dbraw/zinc/25/96/19/435259619.db2.gz JMEASHIFSKJBHK-RJYAGPCLSA-N 0 3 306.413 3.486 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000639339543 435253423 /nfs/dbraw/zinc/25/34/23/435253423.db2.gz GVWLAZWQPVQRPG-HXUWFJFHSA-N 0 3 324.424 3.438 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496871309 435265739 /nfs/dbraw/zinc/26/57/39/435265739.db2.gz AHUVLGYIQKYCDW-KLHDSHLOSA-N 0 3 321.465 3.161 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000496911440 435269912 /nfs/dbraw/zinc/26/99/12/435269912.db2.gz MJMSJMRIJAFEOG-ZJIFWQFVSA-N 0 3 321.465 3.304 20 30 DGEDHN COc1ccccc1SC[C@@H](C)CNC[C@H](C#N)CCC#N ZINC000566108025 435284901 /nfs/dbraw/zinc/28/49/01/435284901.db2.gz SWYDUORZEWTKLK-GJZGRUSLSA-N 0 3 317.458 3.457 20 30 DGEDHN COc1ccc(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000566927583 435289851 /nfs/dbraw/zinc/28/98/51/435289851.db2.gz HNJLLNVOYRNPCG-HUUCEWRRSA-N 0 3 300.402 3.231 20 30 DGEDHN COc1ccc([C@H]2C[C@H](NCc3ccc(C#N)o3)C2)cc1F ZINC000500495504 435303424 /nfs/dbraw/zinc/30/34/24/435303424.db2.gz GPTVMROKCQXYQQ-JOCQHMNTSA-N 0 3 300.333 3.335 20 30 DGEDHN C=CCOCCNCc1cnc(-c2c(F)cccc2F)s1 ZINC000648509973 435324960 /nfs/dbraw/zinc/32/49/60/435324960.db2.gz LZWLLRNCMPRKSI-UHFFFAOYSA-N 0 3 310.369 3.381 20 30 DGEDHN C=C(CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C)c1ccccc1 ZINC000479306943 435326865 /nfs/dbraw/zinc/32/68/65/435326865.db2.gz DDWMIAXBLLZJQN-IRXDYDNUSA-N 0 3 315.461 3.262 20 30 DGEDHN C=C(CNC(=O)NC[C@H](C)N1CCC[C@H](C)C1)c1ccccc1 ZINC000479394910 435328953 /nfs/dbraw/zinc/32/89/53/435328953.db2.gz ULXINXHNTXTVBY-RDJZCZTQSA-N 0 3 315.461 3.119 20 30 DGEDHN CN(C)[C@H](CNc1ncc2c(c1C#N)CCC2)c1ccc(F)cc1 ZINC000567718289 435347328 /nfs/dbraw/zinc/34/73/28/435347328.db2.gz KCRNXUIXTRDLQE-GOSISDBHSA-N 0 3 324.403 3.296 20 30 DGEDHN C=CCC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)C1CC1 ZINC000536838390 435413454 /nfs/dbraw/zinc/41/34/54/435413454.db2.gz IVGMRUYYKVZTPK-HNNXBMFYSA-N 0 3 300.381 3.445 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc2cc(Br)ccc2o1 ZINC000568269637 435416442 /nfs/dbraw/zinc/41/64/42/435416442.db2.gz RKBOEVUQVJKSNH-NSHDSACASA-N 0 3 324.218 3.470 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000643778770 435370086 /nfs/dbraw/zinc/37/00/86/435370086.db2.gz NAJUTWQFPKKGFJ-GFCCVEGCSA-N 0 3 307.275 3.237 20 30 DGEDHN C=C(C)[C@H](NC1CCN(CCOC)CC1)c1ccc(F)c(F)c1 ZINC000480661652 435387651 /nfs/dbraw/zinc/38/76/51/435387651.db2.gz INOUHCQVKWYUDV-SFHVURJKSA-N 0 3 324.415 3.282 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC(C2CCCC2)C1 ZINC000481719693 435438279 /nfs/dbraw/zinc/43/82/79/435438279.db2.gz DHZYCUAINYVWRG-IBGZPJMESA-N 0 3 315.457 3.277 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000514837566 435442057 /nfs/dbraw/zinc/44/20/57/435442057.db2.gz ULWIWQLVIQKYOC-ROUUACIJSA-N 0 3 314.429 3.164 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000483880935 435534260 /nfs/dbraw/zinc/53/42/60/435534260.db2.gz CRGCUAVMXRPUOM-QGZVFWFLSA-N 0 3 321.509 3.496 20 30 DGEDHN C=CCC1(CNCCS(=O)(=O)c2ccccc2)CCCC1 ZINC000644663219 435482654 /nfs/dbraw/zinc/48/26/54/435482654.db2.gz KILXDCJXRUIFGP-UHFFFAOYSA-N 0 3 307.459 3.186 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000515554328 435493355 /nfs/dbraw/zinc/49/33/55/435493355.db2.gz WXRRPWFIABJBIB-LJQANCHMSA-N 0 3 312.457 3.284 20 30 DGEDHN CCCN(Cc1ccc(C#N)cn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000569066294 435499657 /nfs/dbraw/zinc/49/96/57/435499657.db2.gz AZYNOJNSCUKTGX-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000539779598 435567502 /nfs/dbraw/zinc/56/75/02/435567502.db2.gz XOTGVJQQCDGFPQ-BPQIPLTHSA-N 0 3 315.461 3.476 20 30 DGEDHN C=C[C@H](CC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000649354894 435569242 /nfs/dbraw/zinc/56/92/42/435569242.db2.gz VVDFEWGRPJYKPB-CQSZACIVSA-N 0 3 307.397 3.026 20 30 DGEDHN C=C(CC)CN(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000540202162 435592519 /nfs/dbraw/zinc/59/25/19/435592519.db2.gz OCHVLZZLRUZWIM-ZDUSSCGKSA-N 0 3 317.351 3.343 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(n2c3ccccc3nc2CC)CC1 ZINC000649407386 435580977 /nfs/dbraw/zinc/58/09/77/435580977.db2.gz YYSLPSNUJWUOQL-GOSISDBHSA-N 0 3 313.445 3.173 20 30 DGEDHN N#CCC[C@@H](NC1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000540151226 435590451 /nfs/dbraw/zinc/59/04/51/435590451.db2.gz PEZALWMTSCTWGT-GOSISDBHSA-N 0 3 321.428 3.080 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1C)C1CC1 ZINC000540592916 435608816 /nfs/dbraw/zinc/60/88/16/435608816.db2.gz VIFRTZQBZUTEJE-IBGZPJMESA-N 0 3 300.446 3.460 20 30 DGEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000486786721 435613366 /nfs/dbraw/zinc/61/33/66/435613366.db2.gz FAGYNAVCTYDAPQ-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000570507521 435625885 /nfs/dbraw/zinc/62/58/85/435625885.db2.gz BOEFQBDWNQTYAK-WMLDXEAASA-N 0 3 308.853 3.178 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000540487703 435603970 /nfs/dbraw/zinc/60/39/70/435603970.db2.gz KJDUYJQXMHJAMJ-SJLPKXTDSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)CC1 ZINC000645266084 435606843 /nfs/dbraw/zinc/60/68/43/435606843.db2.gz LGYVXJACGXOYLT-QGZVFWFLSA-N 0 3 317.477 3.023 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)CC(C)(C)C1 ZINC000541324042 435640786 /nfs/dbraw/zinc/64/07/86/435640786.db2.gz HXVGRBUXXZCMCT-GJZGRUSLSA-N 0 3 305.466 3.086 20 30 DGEDHN C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000416139563 299064201 /nfs/dbraw/zinc/06/42/01/299064201.db2.gz QNKWGXWTQKWJSK-HNAYVOBHSA-N 0 3 321.424 3.428 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000490574967 435661909 /nfs/dbraw/zinc/66/19/09/435661909.db2.gz IIFAEKVZZRUWTO-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000490739584 435676104 /nfs/dbraw/zinc/67/61/04/435676104.db2.gz FDHZSHNAVIIGPP-INIZCTEOSA-N 0 3 315.214 3.351 20 30 DGEDHN CC1CN(C(=O)c2sccc2C#N)C(c2ccccc2)CO1 ZINC000173694246 300210451 /nfs/dbraw/zinc/21/04/51/300210451.db2.gz ZTVRBYQSRNOHNA-WFASDCNBSA-N 0 3 312.394 3.222 20 30 DGEDHN C[C@H](C1CCCCC1)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000548929618 435729485 /nfs/dbraw/zinc/72/94/85/435729485.db2.gz CEWNATFAVQOAKU-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN COCCOc1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000571563323 435716790 /nfs/dbraw/zinc/71/67/90/435716790.db2.gz ZJFIUQYZAFALIM-UHFFFAOYSA-N 0 3 302.418 3.228 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000655814063 435821239 /nfs/dbraw/zinc/82/12/39/435821239.db2.gz JCLANCKAEVFNSI-IBGZPJMESA-N 0 3 322.408 3.295 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1OC(F)F ZINC000650029240 435790958 /nfs/dbraw/zinc/79/09/58/435790958.db2.gz OSZZWSKJHWEORY-NEPJUHHUSA-N 0 3 303.736 3.375 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000641760622 435812142 /nfs/dbraw/zinc/81/21/42/435812142.db2.gz VOVKHGWNJAEFJD-ZDUSSCGKSA-N 0 3 303.324 3.044 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccccc1OCc1cccnc1 ZINC000641759984 435813150 /nfs/dbraw/zinc/81/31/50/435813150.db2.gz KORKCESYGGVHPI-SFHVURJKSA-N 0 3 312.413 3.077 20 30 DGEDHN C#CCN(C)CCCNC(=S)Nc1c(CC)cccc1CC ZINC000491791628 435813911 /nfs/dbraw/zinc/81/39/11/435813911.db2.gz ACVMIORTAGKJAS-UHFFFAOYSA-N 0 3 317.502 3.053 20 30 DGEDHN CC#CC[C@@H](CO)NC/C(C)=C/c1ccccc1OC(F)F ZINC000641768315 435815787 /nfs/dbraw/zinc/81/57/87/435815787.db2.gz ZFXOEMKMUVVQNK-VOMSXAGXSA-N 0 3 309.356 3.055 20 30 DGEDHN C=CC[C@H]1CC[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000651661939 435780471 /nfs/dbraw/zinc/78/04/71/435780471.db2.gz LOBCKGXOZSUONG-XJKSGUPXSA-N 0 3 301.434 3.004 20 30 DGEDHN CCN(Cc1ccc(C#N)cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000572493862 435832318 /nfs/dbraw/zinc/83/23/18/435832318.db2.gz CNBAVJHMAOJKAL-OAHLLOKOSA-N 0 3 309.413 3.415 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000641939515 435845355 /nfs/dbraw/zinc/84/53/55/435845355.db2.gz DAORDSXFMPPXLL-CYBMUJFWSA-N 0 3 316.228 3.407 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000551708165 435849198 /nfs/dbraw/zinc/84/91/98/435849198.db2.gz KEWOTVGXSZJBSR-UWJYYQICSA-N 0 3 319.452 3.478 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000572765980 435865872 /nfs/dbraw/zinc/86/58/72/435865872.db2.gz JQUTXTGBXFGXQZ-ZWKOTPCHSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000656127193 435897848 /nfs/dbraw/zinc/89/78/48/435897848.db2.gz TWKZZSOHWKHLHU-QGZVFWFLSA-N 0 3 304.409 3.481 20 30 DGEDHN C=CCC1(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000665269701 435933941 /nfs/dbraw/zinc/93/39/41/435933941.db2.gz LOJKOGSUOWQVPI-HOTGVXAUSA-N 0 3 305.466 3.191 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000661072281 435958374 /nfs/dbraw/zinc/95/83/74/435958374.db2.gz WXXFKZADIBVOSQ-RDJZCZTQSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCc1cc(CN[C@@H](CO)C[C@@H](C)CC)cc(OC)c1O ZINC000647244059 435987493 /nfs/dbraw/zinc/98/74/93/435987493.db2.gz SYEGYYPVADKGHG-XJKSGUPXSA-N 0 3 307.434 3.016 20 30 DGEDHN C=CCN(CC[C@H]1Sc2ccccc2NC1=O)[C@@H](C)COC ZINC000661240965 436004823 /nfs/dbraw/zinc/00/48/23/436004823.db2.gz UOFXAGNUHVWPPO-XJKSGUPXSA-N 0 3 320.458 3.012 20 30 DGEDHN C=CCN(CCCc1nc(-c2cccs2)no1)[C@@H](C)COC ZINC000661248153 436008766 /nfs/dbraw/zinc/00/87/66/436008766.db2.gz SHPLUSFWCOOHQH-ZDUSSCGKSA-N 0 3 321.446 3.254 20 30 DGEDHN C=CCCC1(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CCCC1 ZINC000665588897 436013224 /nfs/dbraw/zinc/01/32/24/436013224.db2.gz GSTAWMKLWVQDGU-DLBZAZTESA-N 0 3 321.509 3.495 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(CC)[C@@H]2CCN(CC)C2)c1 ZINC000665847385 436080388 /nfs/dbraw/zinc/08/03/88/436080388.db2.gz QPROBOHWARFWQC-MRXNPFEDSA-N 0 3 317.433 3.199 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3ccncc3c2)CC1 ZINC000651273736 436157565 /nfs/dbraw/zinc/15/75/65/436157565.db2.gz WZJTVOXSAOSRNV-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C[C@]12COC[C@@H]1CN(CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000661709530 436162233 /nfs/dbraw/zinc/16/22/33/436162233.db2.gz XLNUXAQSAXYQSE-HOTGVXAUSA-N 0 3 309.331 3.025 20 30 DGEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)nn1 ZINC000657387547 436174172 /nfs/dbraw/zinc/17/41/72/436174172.db2.gz WYBNEDOWHSRKIX-JSGCOSHPSA-N 0 3 316.371 3.313 20 30 DGEDHN C=CCC1(NCC(=O)Nc2cc(C)ccc2OC)CCCC1 ZINC000661849583 436208371 /nfs/dbraw/zinc/20/83/71/436208371.db2.gz XPARPYUFAHTHMZ-UHFFFAOYSA-N 0 3 302.418 3.421 20 30 DGEDHN C=CCC1(NCc2nnnn2-c2c(C)cccc2C)CCCC1 ZINC000661848154 436208658 /nfs/dbraw/zinc/20/86/58/436208658.db2.gz IKBZQMRMIZAEBP-UHFFFAOYSA-N 0 3 311.433 3.258 20 30 DGEDHN C=CCC1(NCC(=O)Nc2ccc(C(C)=O)cc2)CCCC1 ZINC000661867744 436215458 /nfs/dbraw/zinc/21/54/58/436215458.db2.gz XVJHZDISKMREFE-UHFFFAOYSA-N 0 3 300.402 3.306 20 30 DGEDHN C=CCC1(NCc2cc(OC)cc3c2O[C@H](C)C3)CCOCC1 ZINC000657633795 436265446 /nfs/dbraw/zinc/26/54/46/436265446.db2.gz XDZVFWDBIYESMJ-CQSZACIVSA-N 0 3 317.429 3.234 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC1(c2ccccc2)CC1 ZINC000662079168 436266753 /nfs/dbraw/zinc/26/67/53/436266753.db2.gz HUEBNHBXYURSKE-HDICACEKSA-N 0 3 310.441 3.017 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000662079608 436269000 /nfs/dbraw/zinc/26/90/00/436269000.db2.gz HTICDUBKKNRCMJ-LZQZEXGQSA-N 0 3 310.441 3.143 20 30 DGEDHN C=CCOCCCNCc1ccc(Br)cc1OC ZINC000657658416 436270836 /nfs/dbraw/zinc/27/08/36/436270836.db2.gz XFHQBYDPRRVDSG-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C=CCOCCCNCc1cc(F)ccc1Br ZINC000657658187 436271298 /nfs/dbraw/zinc/27/12/98/436271298.db2.gz OONUIHZDXBAPRT-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=CCC[C@H](O)CNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848087 436277954 /nfs/dbraw/zinc/27/79/54/436277954.db2.gz RHHFHPWEZMCDIA-ZDUSSCGKSA-N 0 3 315.335 3.491 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000667029380 436328823 /nfs/dbraw/zinc/32/88/23/436328823.db2.gz ZHJCHHJMWKFSPV-INIZCTEOSA-N 0 3 301.434 3.363 20 30 DGEDHN C=CCCC1(CNC(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CCCC1 ZINC000662620753 436370813 /nfs/dbraw/zinc/37/08/13/436370813.db2.gz QLCYOFJHPVQHBX-DNVCBOLYSA-N 0 3 322.493 3.162 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000663421052 436456872 /nfs/dbraw/zinc/45/68/72/436456872.db2.gz WRHAUVUYILMPAX-KSZLIROESA-N 0 3 313.445 3.182 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000659533825 436514692 /nfs/dbraw/zinc/51/46/92/436514692.db2.gz RQXXITPDUNDLCB-MAUKXSAKSA-N 0 3 313.445 3.224 20 30 DGEDHN C=CCCC1(CNC(=O)C2(N)Cc3ccccc3C2)CCCC1 ZINC000659334395 436496575 /nfs/dbraw/zinc/49/65/75/436496575.db2.gz KLJOBNFFMHKKHC-UHFFFAOYSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CCC2CC2)CC2CC2)CC1 ZINC000664014890 436544673 /nfs/dbraw/zinc/54/46/73/436544673.db2.gz APRDNMCPIUIYAL-UHFFFAOYSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000660325528 436622918 /nfs/dbraw/zinc/62/29/18/436622918.db2.gz ZPVMYEVFEVNZGU-INIZCTEOSA-N 0 3 315.461 3.246 20 30 DGEDHN CC(=O)c1ccc2c(c1)CCN(CCc1ccc(C#N)cc1)CC2 ZINC000660127714 436593633 /nfs/dbraw/zinc/59/36/33/436593633.db2.gz OQEYIALWTFLRAN-UHFFFAOYSA-N 0 3 318.420 3.404 20 30 DGEDHN N#Cc1csc(CNCCc2nnc(-c3ccccc3)o2)c1 ZINC000176852697 312777282 /nfs/dbraw/zinc/77/72/82/312777282.db2.gz QCDAXYCZTLBVLD-UHFFFAOYSA-N 0 3 310.382 3.002 20 30 DGEDHN COc1ccccc1OCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000537400399 313811048 /nfs/dbraw/zinc/81/10/48/313811048.db2.gz ZVRAQQNTTKJURF-CYBMUJFWSA-N 0 3 314.360 3.436 20 30 DGEDHN C[C@]1(NCC(=O)Nc2ccc(C#N)cc2)CCCc2ccccc21 ZINC000540897543 313982694 /nfs/dbraw/zinc/98/26/94/313982694.db2.gz HLTGHVXVQUGIMS-FQEVSTJZSA-N 0 3 319.408 3.338 20 30 DGEDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558460959 314845177 /nfs/dbraw/zinc/84/51/77/314845177.db2.gz ZTAOLSZUVDXFJW-HZMBPMFUSA-N 0 3 317.458 3.214 20 30 DGEDHN C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)CC12CCCCC2 ZINC000564986395 315217344 /nfs/dbraw/zinc/21/73/44/315217344.db2.gz OFRDITNKWMWDSS-HNNXBMFYSA-N 0 3 323.444 3.393 20 30 DGEDHN Cc1csc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000566421267 315343391 /nfs/dbraw/zinc/34/33/91/315343391.db2.gz XOBHKVODUQGNBR-STQMWFEESA-N 0 3 320.462 3.313 20 30 DGEDHN COc1cc2c(cc1CNCCc1cccc(C#N)c1)O[C@@H](C)C2 ZINC000566948603 315384829 /nfs/dbraw/zinc/38/48/29/315384829.db2.gz RJBBJJAQDLNPFX-AWEZNQCLSA-N 0 3 322.408 3.223 20 30 DGEDHN COC(=O)c1cccc(CNC2[C@H](C)CCC[C@H]2C)c1C#N ZINC000574439692 315966624 /nfs/dbraw/zinc/96/66/24/315966624.db2.gz LEAADAGOVPTTHN-CHWSQXEVSA-N 0 3 300.402 3.259 20 30 DGEDHN CCc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000577929549 316284491 /nfs/dbraw/zinc/28/44/91/316284491.db2.gz JREDFZGDQLDEHQ-AWEZNQCLSA-N 0 3 313.426 3.230 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000581266591 324097357 /nfs/dbraw/zinc/09/73/57/324097357.db2.gz NAFGUAMZARCUMX-UHFFFAOYSA-N 0 3 319.836 3.158 20 30 DGEDHN N#Cc1cnn2cc(CN3CCCC4(CCCCC4)C3)cnc12 ZINC000581726738 324150164 /nfs/dbraw/zinc/15/01/64/324150164.db2.gz CQIKGNZMNDNEKE-UHFFFAOYSA-N 0 3 309.417 3.147 20 30 DGEDHN N#Cc1cccc(CNCc2ccc3c(c2)OCCCCO3)c1 ZINC000583674186 324382899 /nfs/dbraw/zinc/38/28/99/324382899.db2.gz OVCRQOHYJQMONI-UHFFFAOYSA-N 0 3 308.381 3.399 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)C2(C#N)CCCC2)N(C)C)cc1 ZINC000032733948 331637709 /nfs/dbraw/zinc/63/77/09/331637709.db2.gz KWTKJAMGOOSJJB-KRWDZBQOSA-N 0 3 313.445 3.052 20 30 DGEDHN CC1(C)CC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000580090744 332935109 /nfs/dbraw/zinc/93/51/09/332935109.db2.gz HKBBYMRKMJOCFX-OAHLLOKOSA-N 0 3 319.836 3.365 20 30 DGEDHN N#CCCC1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000566172639 332017258 /nfs/dbraw/zinc/01/72/58/332017258.db2.gz GCPPSTVVANYPLQ-UHFFFAOYSA-N 0 3 314.298 3.216 20 30 DGEDHN C=CCCCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000560255058 332323642 /nfs/dbraw/zinc/32/36/42/332323642.db2.gz JGHMNXXJUKGKNW-NVXWUHKLSA-N 0 3 309.475 3.415 20 30 DGEDHN CC1CC(C#N)(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000584330115 333035135 /nfs/dbraw/zinc/03/51/35/333035135.db2.gz QMGSVXMDTDIEOY-UHFFFAOYSA-N 0 3 317.477 3.089 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000582042454 333182290 /nfs/dbraw/zinc/18/22/90/333182290.db2.gz ODHLBMSCGPWHAC-LJQANCHMSA-N 0 3 317.404 3.088 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000185729843 333212971 /nfs/dbraw/zinc/21/29/71/333212971.db2.gz UEEVPDOLYFTPDT-NVXWUHKLSA-N 0 3 313.445 3.138 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCCC2)C1=O ZINC000499605457 333287493 /nfs/dbraw/zinc/28/74/93/333287493.db2.gz ZTSHZCMGXBUXJW-ZWKOTPCHSA-N 0 3 316.420 3.434 20 30 DGEDHN CC(C)COc1ccc(C(C)(C)NCCOCCC#N)cc1 ZINC000293727020 334201516 /nfs/dbraw/zinc/20/15/16/334201516.db2.gz GHCKCZIBDMQWJY-UHFFFAOYSA-N 0 3 304.434 3.476 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@H]3CCOC3)c2)n1 ZINC000534923874 334348784 /nfs/dbraw/zinc/34/87/84/334348784.db2.gz YLMVPRDZYFCTSF-LSDHHAIUSA-N 0 3 312.394 3.446 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@H]3CCOC3)c2)n1 ZINC000534923872 334348908 /nfs/dbraw/zinc/34/89/08/334348908.db2.gz YLMVPRDZYFCTSF-GJZGRUSLSA-N 0 3 312.394 3.446 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(Br)cc1F ZINC000320927855 336386144 /nfs/dbraw/zinc/38/61/44/336386144.db2.gz DNIODQXLPQUXFG-LBPRGKRZSA-N 0 3 302.187 3.005 20 30 DGEDHN C=C(C)COc1cc(CN[C@@]2(C)CCCOC2)ccc1OC ZINC000357361784 336582441 /nfs/dbraw/zinc/58/24/41/336582441.db2.gz YTMLOIKXJYYKBA-SFHVURJKSA-N 0 3 305.418 3.309 20 30 DGEDHN C=CCCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000175745834 337147140 /nfs/dbraw/zinc/14/71/40/337147140.db2.gz ZZVFYBHMRWOPPJ-KRWDZBQOSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000181053521 337179557 /nfs/dbraw/zinc/17/95/57/337179557.db2.gz SFHPKHSDJFQCML-UHFFFAOYSA-N 0 3 300.362 3.003 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000219701306 337351258 /nfs/dbraw/zinc/35/12/58/337351258.db2.gz GWYWAMOKKPECDG-CVEARBPZSA-N 0 3 305.466 3.182 20 30 DGEDHN C=C(C)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000119124046 337855168 /nfs/dbraw/zinc/85/51/68/337855168.db2.gz ZKYYWTAAHLNSKN-HNNXBMFYSA-N 0 3 301.434 3.087 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000057175658 337856644 /nfs/dbraw/zinc/85/66/44/337856644.db2.gz YDTMESQQEHAOJJ-HNNXBMFYSA-N 0 3 324.424 3.264 20 30 DGEDHN C=CCOc1ccc(CNCC(C)(C)C(=O)OC)cc1Cl ZINC000119559785 337861421 /nfs/dbraw/zinc/86/14/21/337861421.db2.gz HLICIODEHFJEOP-UHFFFAOYSA-N 0 3 311.809 3.194 20 30 DGEDHN CC1CCC(N2CCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000119730512 337862921 /nfs/dbraw/zinc/86/29/21/337862921.db2.gz NSNYRAITCPCEJU-UHFFFAOYSA-N 0 3 314.448 3.374 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000024461046 337926610 /nfs/dbraw/zinc/92/66/10/337926610.db2.gz NDGRADGFRREYGK-QGZVFWFLSA-N 0 3 313.445 3.270 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000502163941 340096205 /nfs/dbraw/zinc/09/62/05/340096205.db2.gz DRFTUBRYCXRGKQ-SJLPKXTDSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000502580687 340108359 /nfs/dbraw/zinc/10/83/59/340108359.db2.gz ITPYFTZMZCMRLZ-GOSISDBHSA-N 0 3 304.409 3.313 20 30 DGEDHN C=CCCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000503355903 340126115 /nfs/dbraw/zinc/12/61/15/340126115.db2.gz KKMWENZIMREIGY-NVXWUHKLSA-N 0 3 303.450 3.252 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000503432797 340128246 /nfs/dbraw/zinc/12/82/46/340128246.db2.gz ABONKRQDPKAUBE-FGTMMUONSA-N 0 3 321.509 3.373 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1C)C(C)C ZINC000503439034 340128350 /nfs/dbraw/zinc/12/83/50/340128350.db2.gz QRKAUCCWRRUHFZ-IAGOWNOFSA-N 0 3 307.482 3.269 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508894054 340255223 /nfs/dbraw/zinc/25/52/23/340255223.db2.gz KAXOMJPIBMLOSL-DOTOQJQBSA-N 0 3 303.450 3.204 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508896700 340255506 /nfs/dbraw/zinc/25/55/06/340255506.db2.gz IQERVLAWOOSNEZ-NVXWUHKLSA-N 0 3 303.450 3.204 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000511179506 340323350 /nfs/dbraw/zinc/32/33/50/340323350.db2.gz XTXGDTSQZNAVRI-RDTXWAMCSA-N 0 3 301.434 3.172 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)cccc1C(C)C ZINC000516622993 340333913 /nfs/dbraw/zinc/33/39/13/340333913.db2.gz WPUIRXWOJZFSPR-SJORKVTESA-N 0 3 316.445 3.380 20 30 DGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1cccc(Cl)c1 ZINC000511656193 340334113 /nfs/dbraw/zinc/33/41/13/340334113.db2.gz MQUWNGHUDFBOPS-GCDKYVQMSA-N 0 3 301.817 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCCC[C@H]2CC)CC1 ZINC000176598777 340429058 /nfs/dbraw/zinc/42/90/58/340429058.db2.gz AAGKKDSEQUFOTM-WBVHZDCISA-N 0 3 307.482 3.247 20 30 DGEDHN CC[C@H](CC#N)N[C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177491549 340441089 /nfs/dbraw/zinc/44/10/89/340441089.db2.gz HWRSCFYJENIUIY-ZNMIVQPWSA-N 0 3 309.454 3.446 20 30 DGEDHN C=C(C)COCCNCc1cc(OC)c(OC)cc1SC ZINC000125767011 340808334 /nfs/dbraw/zinc/80/83/34/340808334.db2.gz KMLRKCAILSVVDJ-UHFFFAOYSA-N 0 3 311.447 3.108 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CC1 ZINC000066922215 340852345 /nfs/dbraw/zinc/85/23/45/340852345.db2.gz ISQYHWOYOVPMQZ-OAHLLOKOSA-N 0 3 314.429 3.148 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNC2(C3CC3)CC2)c1 ZINC000541595531 340976796 /nfs/dbraw/zinc/97/67/96/340976796.db2.gz BGIHNQIQYAZAKP-UHFFFAOYSA-N 0 3 311.429 3.082 20 30 DGEDHN C=CC1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000543436630 341044379 /nfs/dbraw/zinc/04/43/79/341044379.db2.gz LDWIZNGTBOTWTC-OAHLLOKOSA-N 0 3 309.837 3.286 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000132401218 341122114 /nfs/dbraw/zinc/12/21/14/341122114.db2.gz VXBLCMWZXBDOFQ-MRXNPFEDSA-N 0 3 300.446 3.392 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCC1CC1 ZINC000135288508 341235608 /nfs/dbraw/zinc/23/56/08/341235608.db2.gz NSOQTPPTKSQNHV-AWEZNQCLSA-N 0 3 306.475 3.383 20 30 DGEDHN C=CCOCCCN1CCC(Oc2ccc(OC)cc2)CC1 ZINC000548094386 341246728 /nfs/dbraw/zinc/24/67/28/341246728.db2.gz SSPGWFSBVQPPRU-UHFFFAOYSA-N 0 3 305.418 3.131 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000548098794 341247121 /nfs/dbraw/zinc/24/71/21/341247121.db2.gz BDCMZHBIKHOMBW-FCGDIQPGSA-N 0 3 321.424 3.326 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1CCSCC1)C(C)C ZINC000137297047 341274074 /nfs/dbraw/zinc/27/40/74/341274074.db2.gz YWPFMZTXVLYBJV-QGZVFWFLSA-N 0 3 324.534 3.335 20 30 DGEDHN CN(CCOc1ccc(Br)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000549337269 341291462 /nfs/dbraw/zinc/29/14/62/341291462.db2.gz LYRBCBSZBQIMHL-JSGCOSHPSA-N 0 3 323.234 3.452 20 30 DGEDHN C=CCN(Cc1cccs1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000549750464 341302003 /nfs/dbraw/zinc/30/20/03/341302003.db2.gz HXTGOURSGAXEGC-INIZCTEOSA-N 0 3 305.418 3.479 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000245643047 341307453 /nfs/dbraw/zinc/30/74/53/341307453.db2.gz KWECBHMGTVCJAH-JFIYKMOQSA-N 0 3 300.446 3.145 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000249102591 341393966 /nfs/dbraw/zinc/39/39/66/341393966.db2.gz PWAGSBNCWUIDCA-HHXXYDBFSA-N 0 3 300.446 3.225 20 30 DGEDHN COc1ccccc1SC[C@H](C)CNC[C@H](C#N)CCC#N ZINC000566108022 341547937 /nfs/dbraw/zinc/54/79/37/341547937.db2.gz SWYDUORZEWTKLK-CABCVRRESA-N 0 3 317.458 3.457 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000567513196 341611594 /nfs/dbraw/zinc/61/15/94/341611594.db2.gz CVNYOTOJLUBNSB-UHFFFAOYSA-N 0 3 323.440 3.486 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1conc1Cc1ccccc1 ZINC000567922027 341640893 /nfs/dbraw/zinc/64/08/93/341640893.db2.gz LMXOOSCUMBOJAD-VQIMIIECSA-N 0 3 312.413 3.336 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000577058137 341882104 /nfs/dbraw/zinc/88/21/04/341882104.db2.gz YKHYGIWVFCFMFR-QGZVFWFLSA-N 0 3 312.438 3.150 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCS[C@@H](C(C)C)C1 ZINC000076065337 500838149 /nfs/dbraw/zinc/83/81/49/500838149.db2.gz RWJJUCQDHZFMGI-QGZVFWFLSA-N 0 3 320.458 3.019 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000178571393 533733271 /nfs/dbraw/zinc/73/32/71/533733271.db2.gz ZRUINWXWWIZNQT-UHFFFAOYSA-N 0 3 322.412 3.120 20 30 DGEDHN C[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000429583345 533750310 /nfs/dbraw/zinc/75/03/10/533750310.db2.gz KCULMNMPFCSPTR-FZMZJTMJSA-N 0 3 305.809 3.271 20 30 DGEDHN COc1cc(CN(C)CCCOc2ccccc2)ccc1C#N ZINC000442817425 533782265 /nfs/dbraw/zinc/78/22/65/533782265.db2.gz ZTISZAAWCDVBEY-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000182391375 534203177 /nfs/dbraw/zinc/20/31/77/534203177.db2.gz AZYHHIPYVXPBHZ-CYBMUJFWSA-N 0 3 312.369 3.154 20 30 DGEDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000182391375 534203181 /nfs/dbraw/zinc/20/31/81/534203181.db2.gz AZYHHIPYVXPBHZ-CYBMUJFWSA-N 0 3 312.369 3.154 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000357828130 534281900 /nfs/dbraw/zinc/28/19/00/534281900.db2.gz OBFLZVBLSGAHKV-SNVBAGLBSA-N 0 3 307.191 3.100 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000529578784 518196691 /nfs/dbraw/zinc/19/66/91/518196691.db2.gz PVGOPVYFTHLNLD-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000454865064 534511751 /nfs/dbraw/zinc/51/17/51/534511751.db2.gz CLOZBWLNNLVRAR-KRWDZBQOSA-N 0 3 315.461 3.020 20 30 DGEDHN CC(C)(C)C1=CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472439787 534539256 /nfs/dbraw/zinc/53/92/56/534539256.db2.gz NPWSGDFPSOMKDJ-QGZVFWFLSA-N 0 3 321.424 3.445 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000494992980 534548363 /nfs/dbraw/zinc/54/83/63/534548363.db2.gz BOAVURNDAGZTFB-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCCC1 ZINC000452128574 534585324 /nfs/dbraw/zinc/58/53/24/534585324.db2.gz VETTWKQDMXTSCX-YESZJQIVSA-N 0 3 304.478 3.312 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(C)s1 ZINC000157817195 522039918 /nfs/dbraw/zinc/03/99/18/522039918.db2.gz CFZZIVHHGZNAQG-UHFFFAOYSA-N 0 3 316.426 3.448 20 30 DGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000489491105 534694288 /nfs/dbraw/zinc/69/42/88/534694288.db2.gz BSQPMVQAYVQACN-AWEZNQCLSA-N 0 3 317.389 3.272 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000185869158 534747812 /nfs/dbraw/zinc/74/78/12/534747812.db2.gz ZGHSBBZRNVQIAU-NWDGAFQWSA-N 0 3 313.323 3.151 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000442793557 534754731 /nfs/dbraw/zinc/75/47/31/534754731.db2.gz RZQNZOMGAULGML-MAUKXSAKSA-N 0 3 320.396 3.116 20 30 DGEDHN O=C(NCc1noc2c1CCCC2)[C@@H]1CCCN1C1CCCC1 ZINC000329489747 534759336 /nfs/dbraw/zinc/75/93/36/534759336.db2.gz YNIFUZVLMGGBPX-INIZCTEOSA-N 0 3 317.433 3.417 20 30 DGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000428954587 534763653 /nfs/dbraw/zinc/76/36/53/534763653.db2.gz MKQGNRILCNMMTK-BMGDILEWSA-N 0 3 302.393 3.213 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](CC)N(CC)CC ZINC000346019623 526363886 /nfs/dbraw/zinc/36/38/86/526363886.db2.gz VPQICRYOKWAGES-KRWDZBQOSA-N 0 3 306.425 3.461 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000177888278 526374334 /nfs/dbraw/zinc/37/43/34/526374334.db2.gz OXRPNGWAPAJKSP-ZNMIVQPWSA-N 0 3 306.475 3.382 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cnn([C@@H](C)CC)c2C)CC1 ZINC000331103333 526414170 /nfs/dbraw/zinc/41/41/70/526414170.db2.gz PPNQGVFPGBLPDB-ZDUSSCGKSA-N 0 3 304.438 3.118 20 30 DGEDHN C=CCN1CCC(NC(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000345922890 526420401 /nfs/dbraw/zinc/42/04/01/526420401.db2.gz FPLUUSKWRPVMAA-UHFFFAOYSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccccc2Cl)CC1 ZINC000171727578 526421501 /nfs/dbraw/zinc/42/15/01/526421501.db2.gz GNDHPHQVFSJDOF-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000171741736 526427555 /nfs/dbraw/zinc/42/75/55/526427555.db2.gz FAWIANGERQMCHZ-QGZVFWFLSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000413249405 526440216 /nfs/dbraw/zinc/44/02/16/526440216.db2.gz YRBTUAGPGUNCQV-CVEARBPZSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CCCc2ccccc2)CC1 ZINC000180479577 526443133 /nfs/dbraw/zinc/44/31/33/526443133.db2.gz HFJXEJIOBFLVJV-KRWDZBQOSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000173160798 526443701 /nfs/dbraw/zinc/44/37/01/526443701.db2.gz DZUMJXIVQKVJCL-FPOVZHCZSA-N 0 3 324.468 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC000176285431 526444702 /nfs/dbraw/zinc/44/47/02/526444702.db2.gz FCMCPEIDXPIUSO-LLVKDONJSA-N 0 3 312.866 3.272 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)CCSc2ccccc2)C1=O ZINC000337232867 526472020 /nfs/dbraw/zinc/47/20/20/526472020.db2.gz VYBDGFLHOYHFDP-DOTOQJQBSA-N 0 3 318.486 3.276 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337245288 526472747 /nfs/dbraw/zinc/47/27/47/526472747.db2.gz OEDLGXXOHXHPRO-IAGOWNOFSA-N 0 3 304.409 3.242 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000337171296 526512378 /nfs/dbraw/zinc/51/23/78/526512378.db2.gz DOKAOQKHCBHMEN-KXBFYZLASA-N 0 3 321.424 3.186 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2ccccc2)CC1 ZINC000106037224 526580372 /nfs/dbraw/zinc/58/03/72/526580372.db2.gz CAXPKQSICIHGMQ-UHFFFAOYSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2occc2C)CC1 ZINC000413232026 526583158 /nfs/dbraw/zinc/58/31/58/526583158.db2.gz FYZVIWXZAGOPKQ-UHFFFAOYSA-N 0 3 319.449 3.160 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2sccc2C2CC2)CC1 ZINC000357591474 526602174 /nfs/dbraw/zinc/60/21/74/526602174.db2.gz SWTUWIFBWOVNLY-UHFFFAOYSA-N 0 3 304.459 3.396 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180917557 526635826 /nfs/dbraw/zinc/63/58/26/526635826.db2.gz NBCOKTPBCMTQID-CABCVRRESA-N 0 3 309.413 3.090 20 30 DGEDHN C=C(C)COCCN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000358283220 526656727 /nfs/dbraw/zinc/65/67/27/526656727.db2.gz DAENWBQKKAVKHB-OAHLLOKOSA-N 0 3 319.449 3.460 20 30 DGEDHN C=C(C)COc1cc(CN[C@]2(C)CCO[C@H]2C)ccc1OC ZINC000344394381 526662590 /nfs/dbraw/zinc/66/25/90/526662590.db2.gz LAWGVGGQTSVAPU-KBXCAEBGSA-N 0 3 305.418 3.307 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000345291360 526670693 /nfs/dbraw/zinc/67/06/93/526670693.db2.gz BYNCWSBTEGYXQD-RHSMWYFYSA-N 0 3 317.433 3.246 20 30 DGEDHN C#CCCCCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000180479316 526687219 /nfs/dbraw/zinc/68/72/19/526687219.db2.gz KWMHWBWQCLAWJM-UHFFFAOYSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCOCCCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000347957808 526753795 /nfs/dbraw/zinc/75/37/95/526753795.db2.gz AMOOEIDNKMGKOH-QGZVFWFLSA-N 0 3 305.418 3.433 20 30 DGEDHN C=CCOCCCN1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000348050958 526758219 /nfs/dbraw/zinc/75/82/19/526758219.db2.gz QCTIJAOWLLLTSH-ROUUACIJSA-N 0 3 302.462 3.174 20 30 DGEDHN C=CCOCCCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000348193102 526759977 /nfs/dbraw/zinc/75/99/77/526759977.db2.gz KLVPUYUIZXETJL-UHFFFAOYSA-N 0 3 323.408 3.022 20 30 DGEDHN C=CCOCCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000339070289 526782842 /nfs/dbraw/zinc/78/28/42/526782842.db2.gz LGQRVJGCFYISGY-CYBMUJFWSA-N 0 3 303.381 3.173 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(CCC)CCN1CCCCC1)OCC ZINC000342802338 526805674 /nfs/dbraw/zinc/80/56/74/526805674.db2.gz LEGNUZMGZYHYJQ-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnc(C(F)(F)F)s1 ZINC000435747036 526834169 /nfs/dbraw/zinc/83/41/69/526834169.db2.gz CYVBSPQGMZCOCQ-MWLCHTKSSA-N 0 3 306.353 3.233 20 30 DGEDHN C=CCOc1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 ZINC000344603199 526836494 /nfs/dbraw/zinc/83/64/94/526836494.db2.gz IYNHIFRORAFKAC-OAHLLOKOSA-N 0 3 316.445 3.054 20 30 DGEDHN C=C(CC)CN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000358510669 526850888 /nfs/dbraw/zinc/85/08/88/526850888.db2.gz PDQPETWNKBQEBG-UHFFFAOYSA-N 0 3 302.418 3.312 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000181091653 526861714 /nfs/dbraw/zinc/86/17/14/526861714.db2.gz QUSGTIPMHMUNLF-IRXDYDNUSA-N 0 3 319.445 3.243 20 30 DGEDHN C=C(CNC(=O)NCCN1CCCC(C)(C)C1)c1ccccc1 ZINC000358565805 526870480 /nfs/dbraw/zinc/87/04/80/526870480.db2.gz AJMJFUQWIHKLPT-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000360222405 526877467 /nfs/dbraw/zinc/87/74/67/526877467.db2.gz RVVWNYMMEHWDIV-IBGZPJMESA-N 0 3 315.376 3.070 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000359065645 526881336 /nfs/dbraw/zinc/88/13/36/526881336.db2.gz YSSKPCKRMVBSRH-INIZCTEOSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@H](C(=O)OCC)C2)c1 ZINC000352726217 526897903 /nfs/dbraw/zinc/89/79/03/526897903.db2.gz SDJLQMQRVZNKGR-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN CC(C)(C)n1cc(C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000330952411 526909977 /nfs/dbraw/zinc/90/99/77/526909977.db2.gz FGXYTRMJVPZTSV-UHFFFAOYSA-N 0 3 306.454 3.065 20 30 DGEDHN C=CCSCCN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000180459069 527005461 /nfs/dbraw/zinc/00/54/61/527005461.db2.gz WZBUTIABOZJQIE-GFCCVEGCSA-N 0 3 311.447 3.282 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000432562788 527008503 /nfs/dbraw/zinc/00/85/03/527008503.db2.gz NXBBNNNDQKLKAQ-MRXNPFEDSA-N 0 3 303.450 3.191 20 30 DGEDHN C=CCC(C)(C)CN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000340424346 527019663 /nfs/dbraw/zinc/01/96/63/527019663.db2.gz PUBHSFFMWUZYLP-HNNXBMFYSA-N 0 3 309.475 3.349 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000341883709 527082825 /nfs/dbraw/zinc/08/28/25/527082825.db2.gz USRPSFSNGSDBHE-WDEREUQCSA-N 0 3 303.324 3.262 20 30 DGEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000177777967 527101272 /nfs/dbraw/zinc/10/12/72/527101272.db2.gz KTKMGUIVGIBGKB-UHFFFAOYSA-N 0 3 310.388 3.211 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000176106456 527104526 /nfs/dbraw/zinc/10/45/26/527104526.db2.gz NUOKINODVODQQH-QGZVFWFLSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCCCC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000175283156 527112469 /nfs/dbraw/zinc/11/24/69/527112469.db2.gz OEYUAIPWENAJTQ-UHFFFAOYSA-N 0 3 315.461 3.119 20 30 DGEDHN C=CC[C@H](C)NCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000180138566 527138254 /nfs/dbraw/zinc/13/82/54/527138254.db2.gz DXYYUQIWTPDBGW-AWEZNQCLSA-N 0 3 307.869 3.146 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(-c2ccncc2)ccc1OC ZINC000358980191 527185520 /nfs/dbraw/zinc/18/55/20/527185520.db2.gz FSSRZZUDNIRZPC-HNNXBMFYSA-N 0 3 312.413 3.031 20 30 DGEDHN C=CCn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000337855653 527349468 /nfs/dbraw/zinc/34/94/68/527349468.db2.gz LCYMLULQLPNPKO-HOTGVXAUSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCCOCCN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090883540 527368680 /nfs/dbraw/zinc/36/86/80/527368680.db2.gz OUWBWUKSGYCAGH-OAHLLOKOSA-N 0 3 302.418 3.057 20 30 DGEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2ccc(F)cc2)nn1 ZINC000424291597 527373430 /nfs/dbraw/zinc/37/34/30/527373430.db2.gz DUTYRXFIDQGAFH-SJORKVTESA-N 0 3 300.381 3.029 20 30 DGEDHN C=CCC[C@@H](NCCc1nnnn1-c1ccccc1)c1ccco1 ZINC000353600903 527446830 /nfs/dbraw/zinc/44/68/30/527446830.db2.gz ZQKFFVKHOXISNI-MRXNPFEDSA-N 0 3 323.400 3.095 20 30 DGEDHN C=CCC[C@H](C)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000185146556 527465199 /nfs/dbraw/zinc/46/51/99/527465199.db2.gz YJLNSDUUFYLBJQ-AWEZNQCLSA-N 0 3 324.490 3.208 20 30 DGEDHN C=CCC[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417909154 527477574 /nfs/dbraw/zinc/47/75/74/527477574.db2.gz HXWOKQFHFNMYFY-VYDXJSESSA-N 0 3 301.434 3.086 20 30 DGEDHN C=CCC[C@H](NC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000435109474 527478057 /nfs/dbraw/zinc/47/80/57/527478057.db2.gz SHOGNUUWUJHZCR-KRWDZBQOSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000343920479 527479808 /nfs/dbraw/zinc/47/98/08/527479808.db2.gz QCAZWZSPIFJGQG-JQHSSLGASA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](NCC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000428325114 527482607 /nfs/dbraw/zinc/48/26/07/527482607.db2.gz MGSQJDXMEIUVRT-ZDUSSCGKSA-N 0 3 300.324 3.048 20 30 DGEDHN C=CCC[C@H](NCC(=O)Nc1nccs1)c1ccccc1 ZINC000180036174 527483188 /nfs/dbraw/zinc/48/31/88/527483188.db2.gz XLKUSVBXSGTAOS-AWEZNQCLSA-N 0 3 301.415 3.379 20 30 DGEDHN C=CCC[C@H](N[C@@H]1CCCc2cn(CCOC)nc21)C1CC1 ZINC000368189598 527486447 /nfs/dbraw/zinc/48/64/47/527486447.db2.gz RBQATAAJIKQAJZ-DLBZAZTESA-N 0 3 303.450 3.241 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)C1CC1 ZINC000357535015 527539527 /nfs/dbraw/zinc/53/95/27/527539527.db2.gz FGRSFZRYAYCOIO-UKRRQHHQSA-N 0 3 305.422 3.069 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(-c2cccs2)on1 ZINC000429708682 527572110 /nfs/dbraw/zinc/57/21/10/527572110.db2.gz NLHLVUIJBALDMH-UHFFFAOYSA-N 0 3 305.447 3.343 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000344078282 527606859 /nfs/dbraw/zinc/60/68/59/527606859.db2.gz PDLPKPFNMZPJDI-IEBWSBKVSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000337627850 527636447 /nfs/dbraw/zinc/63/64/47/527636447.db2.gz BGNGIJNUUSYNSZ-ZWKOTPCHSA-N 0 3 312.457 3.373 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1ccoc1)C(C)C ZINC000339814520 527645243 /nfs/dbraw/zinc/64/52/43/527645243.db2.gz BHWUICXOVCTUSU-KRWDZBQOSA-N 0 3 319.449 3.120 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ncccc1Cl)C(C)C ZINC000340303657 527646644 /nfs/dbraw/zinc/64/66/44/527646644.db2.gz XERYZXSQDMQOEE-HNNXBMFYSA-N 0 3 321.852 3.163 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](CC)C1)C(C)C ZINC000447290048 527648255 /nfs/dbraw/zinc/64/82/55/527648255.db2.gz IRUSNBABCSTHLD-DLBZAZTESA-N 0 3 307.482 3.127 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCCS1)C(C)C ZINC000341089464 527649724 /nfs/dbraw/zinc/64/97/24/527649724.db2.gz JDJOYZFKKPAGAB-HZPDHXFCSA-N 0 3 310.507 3.087 20 30 DGEDHN CC1=CCC[C@@H](C)[C@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000443408507 528107391 /nfs/dbraw/zinc/10/73/91/528107391.db2.gz KXQMKUMCGHUNQR-AEFFLSMTSA-N 0 3 310.445 3.068 20 30 DGEDHN CC(C)Oc1ccc(CNC(=O)C(C)C#N)c(C(F)(F)F)c1 ZINC000345771275 528159344 /nfs/dbraw/zinc/15/93/44/528159344.db2.gz FYVHLWKVAUADTB-JTQLQIEISA-N 0 3 314.307 3.268 20 30 DGEDHN CC(C)Oc1ccc(NC(=O)C(C)C(F)(F)F)cc1C#N ZINC000435357539 528194893 /nfs/dbraw/zinc/19/48/93/528194893.db2.gz KLVQIWHXVBHJJC-VIFPVBQESA-N 0 3 300.280 3.482 20 30 DGEDHN CCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000349827639 528281445 /nfs/dbraw/zinc/28/14/45/528281445.db2.gz KAQQSTCBQZENAH-WCQYABFASA-N 0 3 310.344 3.469 20 30 DGEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000444765062 528515146 /nfs/dbraw/zinc/51/51/46/528515146.db2.gz HYGWVPPNYSWAAD-QGZVFWFLSA-N 0 3 324.371 3.287 20 30 DGEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000424123212 528568378 /nfs/dbraw/zinc/56/83/78/528568378.db2.gz KKRDPNORGPZHRI-HUUCEWRRSA-N 0 3 307.825 3.174 20 30 DGEDHN CC(C)C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000180759255 528571168 /nfs/dbraw/zinc/57/11/68/528571168.db2.gz AWPZXHOMEQTEJQ-PKOBYXMFSA-N 0 3 315.461 3.418 20 30 DGEDHN CC(C)[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000343397471 528598147 /nfs/dbraw/zinc/59/81/47/528598147.db2.gz CLKFMSONXSSADT-CZUORRHYSA-N 0 3 321.852 3.387 20 30 DGEDHN CC(C)[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1 ZINC000337389594 528599097 /nfs/dbraw/zinc/59/90/97/528599097.db2.gz GYEQXULLORWFPH-CZUORRHYSA-N 0 3 317.408 3.063 20 30 DGEDHN CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000331023782 528634838 /nfs/dbraw/zinc/63/48/38/528634838.db2.gz RTMYCVDHNBWMCM-UONOGXRCSA-N 0 3 320.433 3.271 20 30 DGEDHN CCCOc1ccc2c(c1)CCN(CCCSCC#N)C2 ZINC000134520068 528730527 /nfs/dbraw/zinc/73/05/27/528730527.db2.gz NNWQKZOQRDVMOH-UHFFFAOYSA-N 0 3 304.459 3.480 20 30 DGEDHN CC1(C#N)CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000331501565 528840450 /nfs/dbraw/zinc/84/04/50/528840450.db2.gz HJUDSNXGWNDSHJ-UHFFFAOYSA-N 0 3 316.430 3.356 20 30 DGEDHN CCOCCOc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442789139 528844276 /nfs/dbraw/zinc/84/42/76/528844276.db2.gz XWSJHMYTOGFDFY-NVXWUHKLSA-N 0 3 302.418 3.192 20 30 DGEDHN CCOCCOc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442789142 528845247 /nfs/dbraw/zinc/84/52/47/528845247.db2.gz XWSJHMYTOGFDFY-WBVHZDCISA-N 0 3 302.418 3.192 20 30 DGEDHN CC1(C)CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000357796905 528931902 /nfs/dbraw/zinc/93/19/02/528931902.db2.gz IVJUCBVWMSUHGU-UHFFFAOYSA-N 0 3 313.445 3.445 20 30 DGEDHN CC(C)N(Cc1cccc(C#N)c1)C[C@H](O)COc1ccccc1 ZINC000299375431 528943315 /nfs/dbraw/zinc/94/33/15/528943315.db2.gz MBIFODDILCFZAE-IBGZPJMESA-N 0 3 324.424 3.209 20 30 DGEDHN CCOC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433366622 529017143 /nfs/dbraw/zinc/01/71/43/529017143.db2.gz ZQLOFJZXBCRSED-ROUUACIJSA-N 0 3 314.429 3.034 20 30 DGEDHN CCN(C(=O)C(C)C#N)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000345647088 529051254 /nfs/dbraw/zinc/05/12/54/529051254.db2.gz SRROSWURUOINED-QAPCUYQASA-N 0 3 307.397 3.488 20 30 DGEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000442637572 529126360 /nfs/dbraw/zinc/12/63/60/529126360.db2.gz PIEADSKUTNQNGH-JOQOYGCGSA-N 0 3 300.402 3.437 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CCCCN2CC)c1C ZINC000331096527 529287663 /nfs/dbraw/zinc/28/76/63/529287663.db2.gz MFGDGSIIPMHRNE-ZFWWWQNUSA-N 0 3 306.454 3.342 20 30 DGEDHN CC[C@H]1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000302148002 529300609 /nfs/dbraw/zinc/30/06/09/529300609.db2.gz JBDASTGIOLKRPV-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN CN(C)Cc1cccc(CNC(=O)Nc2cccc(CC#N)c2)c1 ZINC000455925723 536031379 /nfs/dbraw/zinc/03/13/79/536031379.db2.gz YAIFXKZLZBTEJC-UHFFFAOYSA-N 0 3 322.412 3.136 20 30 DGEDHN CC[C@H](CC#N)NC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496171540 536055419 /nfs/dbraw/zinc/05/54/19/536055419.db2.gz PJCAZNAYLLIHRU-QLFBSQMISA-N 0 3 309.454 3.304 20 30 DGEDHN CC[C@H](CC#N)NC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496171543 536055996 /nfs/dbraw/zinc/05/59/96/536055996.db2.gz PJCAZNAYLLIHRU-SOUVJXGZSA-N 0 3 309.454 3.304 20 30 DGEDHN CN(C[C@@H]1CCN(CCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000494709772 536433784 /nfs/dbraw/zinc/43/37/84/536433784.db2.gz HQHIIIYXDMVBCP-AWEZNQCLSA-N 0 3 309.454 3.115 20 30 DGEDHN COc1ccccc1COC1CCN([C@@H](C)CCC#N)CC1 ZINC000299691521 546434023 /nfs/dbraw/zinc/43/40/23/546434023.db2.gz NWKYLOCFXDJTHE-HNNXBMFYSA-N 0 3 302.418 3.368 20 30 DGEDHN C=CCNCc1cc(Br)cc(Br)c1N ZINC000308647931 546450189 /nfs/dbraw/zinc/45/01/89/546450189.db2.gz IRXNVKCGMIXBLS-UHFFFAOYSA-N 0 3 320.028 3.069 20 30 DGEDHN O=C(CCc1nc2ccccc2o1)NC1CCN(C2CC2)CC1 ZINC000328964275 546483025 /nfs/dbraw/zinc/48/30/25/546483025.db2.gz LUYSAEOPCQWKOP-UHFFFAOYSA-N 0 3 313.401 3.344 20 30 DGEDHN O=C(CN1CCC[C@H](C2CC2)C1)NC(=O)NCc1ccccc1 ZINC000329626369 546488305 /nfs/dbraw/zinc/48/83/05/546488305.db2.gz GRIYMKKLKPQNBU-INIZCTEOSA-N 0 3 315.417 3.179 20 30 DGEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CC2(C)C)C1 ZINC000329657608 546489801 /nfs/dbraw/zinc/48/98/01/546489801.db2.gz GWAUUDUNFZKZGZ-ZIAGYGMSSA-N 0 3 304.438 3.043 20 30 DGEDHN CC[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCCCC#N)sc2C1 ZINC000594426046 547032110 /nfs/dbraw/zinc/03/21/10/547032110.db2.gz CIXHNGHBSAZTHJ-NEPJUHHUSA-N 0 3 320.462 3.008 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(F)ccn1)C(C)C ZINC000667647023 547255567 /nfs/dbraw/zinc/25/55/67/547255567.db2.gz JBLWJKMBBCFPLF-HNNXBMFYSA-N 0 3 320.412 3.041 20 30 DGEDHN C=C(CNC(=O)N1CCCN(C(C)(C)C)CC1)c1ccccc1 ZINC000673196034 547946406 /nfs/dbraw/zinc/94/64/06/547946406.db2.gz VESZCYXBVGDLHH-UHFFFAOYSA-N 0 3 315.461 3.216 20 30 DGEDHN Fc1ccc(C#CCN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000676557001 548380556 /nfs/dbraw/zinc/38/05/56/548380556.db2.gz FFRZKZDKKOUOCG-KDURUIRLSA-N 0 3 320.411 3.245 20 30 DGEDHN COCC#CCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000678761792 548758181 /nfs/dbraw/zinc/75/81/81/548758181.db2.gz HWFTZROCFMLQIA-IBGZPJMESA-N 0 3 315.363 3.488 20 30 DGEDHN C=CCOCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000679576781 548920395 /nfs/dbraw/zinc/92/03/95/548920395.db2.gz TWVJDCRCOMZARX-CQSZACIVSA-N 0 3 301.308 3.365 20 30 DGEDHN C=CCOCCN[C@H]1CCc2c1cc(Br)cc2F ZINC000679578526 548920714 /nfs/dbraw/zinc/92/07/14/548920714.db2.gz RGHWCFLMYXGHKH-AWEZNQCLSA-N 0 3 314.198 3.368 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000679576929 548921037 /nfs/dbraw/zinc/92/10/37/548921037.db2.gz YVPDHUZYBYQNIC-CQSZACIVSA-N 0 3 305.422 3.070 20 30 DGEDHN COCC#CCN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000680414112 549050473 /nfs/dbraw/zinc/05/04/73/549050473.db2.gz PHRODBRABOVXQE-CYBMUJFWSA-N 0 3 300.427 3.419 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccccc1Cl ZINC000680995263 549142234 /nfs/dbraw/zinc/14/22/34/549142234.db2.gz VABQQLTXMKXCNZ-HNAYVOBHSA-N 0 3 313.828 3.446 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000682429693 549322459 /nfs/dbraw/zinc/32/24/59/549322459.db2.gz YHFHJHFJJZHUSO-SFHVURJKSA-N 0 3 315.461 3.431 20 30 DGEDHN CC[C@@]1(NCC#Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000683041437 549420952 /nfs/dbraw/zinc/42/09/52/549420952.db2.gz KXHZPFIDPUFOTR-OAHLLOKOSA-N 0 3 313.319 3.095 20 30 DGEDHN N#Cc1ccc(NC2CCN(C[C@H]3CCCO3)CC2)cc1Cl ZINC000731968777 574563940 /nfs/dbraw/zinc/56/39/40/574563940.db2.gz NEJUGJMIAJAFDW-MRXNPFEDSA-N 0 3 319.836 3.267 20 30 DGEDHN C[C@@H](N[C@@H](C)c1csc2ccccc21)C(=O)N(C)CCC#N ZINC000732918419 574587535 /nfs/dbraw/zinc/58/75/35/574587535.db2.gz LJBHCRGOQFKJRX-QWHCGFSZSA-N 0 3 315.442 3.312 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1CCSCC1 ZINC000733054058 574593531 /nfs/dbraw/zinc/59/35/31/574593531.db2.gz WUTHVASKMQDWQP-NSHDSACASA-N 0 3 322.817 3.131 20 30 DGEDHN Cc1cccc(COc2c(C)cc(C=NNC(=N)N)cc2C)c1 ZINC000734361924 574657976 /nfs/dbraw/zinc/65/79/76/574657976.db2.gz KNYYRVUWITWHTA-UHFFFAOYSA-N 0 3 310.401 3.008 20 30 DGEDHN C=CC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccncc1 ZINC000734461632 574663419 /nfs/dbraw/zinc/66/34/19/574663419.db2.gz XTRUELMGCHFACW-GOSISDBHSA-N 0 3 309.413 3.190 20 30 DGEDHN C=CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC1CCCCC1 ZINC000735418355 574701288 /nfs/dbraw/zinc/70/12/88/574701288.db2.gz BUTBDHQHDAGJNI-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC1CCCCC1 ZINC000735418355 574701289 /nfs/dbraw/zinc/70/12/89/574701289.db2.gz BUTBDHQHDAGJNI-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC1CCCCC1 ZINC000735418355 574701290 /nfs/dbraw/zinc/70/12/90/574701290.db2.gz BUTBDHQHDAGJNI-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN C=CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC1CCCCC1 ZINC000735418355 574701291 /nfs/dbraw/zinc/70/12/91/574701291.db2.gz BUTBDHQHDAGJNI-UHFFFAOYSA-N 0 3 311.433 3.435 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3F)nc21 ZINC000735788616 574715059 /nfs/dbraw/zinc/71/50/59/574715059.db2.gz GECYOVBMVZTFEX-CYBMUJFWSA-N 0 3 307.328 3.429 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CCCCO3)nc21 ZINC000735792146 574715801 /nfs/dbraw/zinc/71/58/01/574715801.db2.gz INGFLLVHMHPSSE-KGLIPLIRSA-N 0 3 311.385 3.397 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CCCCO3)[nH]c21 ZINC000735792146 574715805 /nfs/dbraw/zinc/71/58/05/574715805.db2.gz INGFLLVHMHPSSE-KGLIPLIRSA-N 0 3 311.385 3.397 20 30 DGEDHN C#CCSCCNCc1cnn(Cc2ccccc2Cl)c1 ZINC000740014536 574918288 /nfs/dbraw/zinc/91/82/88/574918288.db2.gz LQJGIGZPZPNRBI-UHFFFAOYSA-N 0 3 319.861 3.041 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000740737177 574940851 /nfs/dbraw/zinc/94/08/51/574940851.db2.gz CMBXPCHEYXHGOJ-UHFFFAOYSA-N 0 3 306.409 3.057 20 30 DGEDHN Cc1ccc([C@@H](O)CNCc2cccc(OCCCC#N)c2)o1 ZINC000741261655 574954611 /nfs/dbraw/zinc/95/46/11/574954611.db2.gz QGUDAUZDZWOQHX-KRWDZBQOSA-N 0 3 314.385 3.094 20 30 DGEDHN Cc1sc2ncnc(N=NC3CCN(C)[C@H](C)C3)c2c1C ZINC000741454965 574958394 /nfs/dbraw/zinc/95/83/94/574958394.db2.gz HMBNLBMLGSPSLZ-SECBINFHSA-N 0 3 303.435 3.190 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000741689467 574966875 /nfs/dbraw/zinc/96/68/75/574966875.db2.gz PMUUUMLOAANGLG-SFHVURJKSA-N 0 3 324.509 3.450 20 30 DGEDHN C=CCc1cc(OCC)cc(C[NH+]2CCC(O)(CC)CC2)c1[O-] ZINC000742175779 574983993 /nfs/dbraw/zinc/98/39/93/574983993.db2.gz NVPJDIYTYXMBSK-UHFFFAOYSA-N 0 3 319.445 3.256 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000742179781 574984022 /nfs/dbraw/zinc/98/40/22/574984022.db2.gz LKBXEANVLSWBTO-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1C#N ZINC000742371495 574993402 /nfs/dbraw/zinc/99/34/02/574993402.db2.gz ZVUAMTBBYBTZFY-UHFFFAOYSA-N 0 3 309.413 3.231 20 30 DGEDHN COc1ccc(CNC[C@@H](O)c2ccccc2Cl)cc1C#N ZINC000742371888 574993563 /nfs/dbraw/zinc/99/35/63/574993563.db2.gz BCRDSQPGHLSQBA-MRXNPFEDSA-N 0 3 316.788 3.043 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(Oc3cnccn3)cc2)cc1 ZINC000743493965 575054573 /nfs/dbraw/zinc/05/45/73/575054573.db2.gz BAQUHQVZDKAUSH-UHFFFAOYSA-N 0 3 316.364 3.430 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)cc1 ZINC000744029264 575069010 /nfs/dbraw/zinc/06/90/10/575069010.db2.gz RLZHISHXSYTVJZ-WFASDCNBSA-N 0 3 310.353 3.293 20 30 DGEDHN C#CCN(C[C@H](O)c1cc(OC)ccc1OC)C1CCCCC1 ZINC000744213770 575079031 /nfs/dbraw/zinc/07/90/31/575079031.db2.gz BGRWDEDMEISPHV-SFHVURJKSA-N 0 3 317.429 3.005 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2c(C)cccc2C)CC1 ZINC000729942596 575267656 /nfs/dbraw/zinc/26/76/56/575267656.db2.gz OQKQCBXWNDDIOV-UHFFFAOYSA-N 0 3 303.475 3.240 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(-n3cccc3)c2)CC1 ZINC000729976903 575268675 /nfs/dbraw/zinc/26/86/75/575268675.db2.gz BWICZGOGWMQXFR-UHFFFAOYSA-N 0 3 323.440 3.166 20 30 DGEDHN C=CCN1CCC(Nc2nc3cc(C)nn3c3ccccc32)CC1 ZINC000730077118 575275168 /nfs/dbraw/zinc/27/51/68/575275168.db2.gz KJETUWLYARYPBI-UHFFFAOYSA-N 0 3 321.428 3.253 20 30 DGEDHN COc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1C#N ZINC000746742083 575472976 /nfs/dbraw/zinc/47/29/76/575472976.db2.gz OOVVEGNHMITZOC-UHFFFAOYSA-N 0 3 318.380 3.247 20 30 DGEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000747204314 575505456 /nfs/dbraw/zinc/50/54/56/575505456.db2.gz HEOJOUCXZWVZTP-JOYOIKCWSA-N 0 3 310.806 3.129 20 30 DGEDHN CCCCCCCCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000747232332 575507510 /nfs/dbraw/zinc/50/75/10/575507510.db2.gz VZVXGZXPZVMJCK-DLBZAZTESA-N 0 3 310.482 3.107 20 30 DGEDHN Cc1cccc(C)c1CON=C(N)c1ccc(CN(C)C)cc1 ZINC000747839158 575545672 /nfs/dbraw/zinc/54/56/72/575545672.db2.gz ZXDSMZZFNAETSQ-UHFFFAOYSA-N 0 3 311.429 3.202 20 30 DGEDHN C=C(Br)CN1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000749241725 575638219 /nfs/dbraw/zinc/63/82/19/575638219.db2.gz OQONRDNQIHXIOK-IHRRRGAJSA-N 0 3 301.272 3.232 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](CO)c2sccc2C)cc1 ZINC000749294419 575643324 /nfs/dbraw/zinc/64/33/24/575643324.db2.gz GWTHUJWFASDPKH-KRWDZBQOSA-N 0 3 315.438 3.282 20 30 DGEDHN C=CCCOCC(=O)OC[C@]1(C)CCCN1Cc1ccccc1 ZINC000751176393 575774504 /nfs/dbraw/zinc/77/45/04/575774504.db2.gz QWODUFJYQMNNLD-IBGZPJMESA-N 0 3 317.429 3.177 20 30 DGEDHN C[C@H](NC(=S)NN=C1CCCC[C@H]1N1CCCCC1)C1CC1 ZINC000751531507 575789280 /nfs/dbraw/zinc/78/92/80/575789280.db2.gz LNHHKJOFBRBGGD-XJKSGUPXSA-N 0 3 322.522 3.034 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000752076692 575821550 /nfs/dbraw/zinc/82/15/50/575821550.db2.gz POZUUKUUKSFHQP-ULQDDVLXSA-N 0 3 313.445 3.218 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000726189562 576010980 /nfs/dbraw/zinc/01/09/80/576010980.db2.gz CWBDCJBJVFTKGR-LPHOPBHVSA-N 0 3 312.457 3.426 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000726189563 576011895 /nfs/dbraw/zinc/01/18/95/576011895.db2.gz CWBDCJBJVFTKGR-QFBILLFUSA-N 0 3 312.457 3.426 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000726189567 576011912 /nfs/dbraw/zinc/01/19/12/576011912.db2.gz CWBDCJBJVFTKGR-VQIMIIECSA-N 0 3 312.457 3.426 20 30 DGEDHN C#Cc1cccc(NC(=S)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000726475833 576027831 /nfs/dbraw/zinc/02/78/31/576027831.db2.gz RUGSGEWYEWECTB-HUUCEWRRSA-N 0 3 315.486 3.075 20 30 DGEDHN COc1cccc(-c2n[nH]cc2CNCc2ccc(C#N)cc2)c1 ZINC000916835245 620646972 /nfs/dbraw/zinc/64/69/72/620646972.db2.gz UJHCKFLQFKMODC-UHFFFAOYSA-N 0 3 318.380 3.247 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2ccccc2C)c1 ZINC000916897944 620649234 /nfs/dbraw/zinc/64/92/34/620649234.db2.gz RWUIEFYJIKJUPR-MRXNPFEDSA-N 0 3 322.364 3.030 20 30 DGEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916912590 620650121 /nfs/dbraw/zinc/65/01/21/620650121.db2.gz RIQSQAHXTKUHAJ-JTQLQIEISA-N 0 3 310.806 3.129 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852847866 620652098 /nfs/dbraw/zinc/65/20/98/620652098.db2.gz WBRQWEAMQRLEKO-DZGCQCFKSA-N 0 3 321.852 3.248 20 30 DGEDHN C[C@H](C1CC1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917093352 620656619 /nfs/dbraw/zinc/65/66/19/620656619.db2.gz KNHHAWXWCWKLEQ-DGCLKSJQSA-N 0 3 313.426 3.203 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@H](c1ccc(F)cc1)N(C)C ZINC000917557462 620675787 /nfs/dbraw/zinc/67/57/87/620675787.db2.gz NJFQGPBUNIBESK-MBTVCVBTSA-N 0 3 316.376 3.262 20 30 DGEDHN C[C@@H]1CN(c2ccccc2C=NN2CCCC[C@H]2C)CCO1 ZINC000853380962 620690936 /nfs/dbraw/zinc/69/09/36/620690936.db2.gz UJLTUJFUBJTBTM-HZPDHXFCSA-N 0 3 301.434 3.120 20 30 DGEDHN COC(=O)c1cccc(N=NC2CCCN3CCCC[C@H]23)c1C ZINC000853397551 620692751 /nfs/dbraw/zinc/69/27/51/620692751.db2.gz GKUVELJRMBNAPC-QGZVFWFLSA-N 0 3 315.417 3.198 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](O)c1cccc(Cl)c1 ZINC000918198340 620702161 /nfs/dbraw/zinc/70/21/61/620702161.db2.gz VONHTXDHYZDOPV-QGZVFWFLSA-N 0 3 315.800 3.175 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000853598492 620714142 /nfs/dbraw/zinc/71/41/42/620714142.db2.gz SESAXSAKSYVYLX-GBESFXJTSA-N 0 3 310.441 3.451 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@](C)(c2ccccc2)C1=O ZINC000853597831 620714481 /nfs/dbraw/zinc/71/44/81/620714481.db2.gz GNYNVLGPSAFVGQ-WSTZPKSXSA-N 0 3 310.441 3.317 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1cc(Br)cnc1C#N ZINC000853748968 620733009 /nfs/dbraw/zinc/73/30/09/620733009.db2.gz UZXVVCWXXBKTLT-LLVKDONJSA-N 0 3 323.238 3.000 20 30 DGEDHN C=CC[C@@H]1CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000890563003 617612552 /nfs/dbraw/zinc/61/25/52/617612552.db2.gz LVKHWUNYWTZJCR-FUHWJXTLSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891242390 617758453 /nfs/dbraw/zinc/75/84/53/617758453.db2.gz FYMKNUBPODGLIA-MAUKXSAKSA-N 0 3 317.477 3.074 20 30 DGEDHN N#CC(C(=O)[C@H]1CCOC2(CCC2)C1)c1nc2ccccc2[nH]1 ZINC000892419856 618062038 /nfs/dbraw/zinc/06/20/38/618062038.db2.gz IUGQMKNURGVFHP-QWHCGFSZSA-N 0 3 309.369 3.088 20 30 DGEDHN Cc1nc(C)c(CC(=O)C(C#N)c2nc3ccccc3o2)s1 ZINC000892553944 618107245 /nfs/dbraw/zinc/10/72/45/618107245.db2.gz YOTKAMTUVXJKJG-LLVKDONJSA-N 0 3 311.366 3.320 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000920040292 620778568 /nfs/dbraw/zinc/77/85/68/620778568.db2.gz OLGQFJWUHZLFGN-QZTJIDSGSA-N 0 3 318.505 3.300 20 30 DGEDHN C[C@H](NN=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000920385859 620798672 /nfs/dbraw/zinc/79/86/72/620798672.db2.gz IUQRDTVVHGPYLN-INIZCTEOSA-N 0 3 309.413 3.208 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@H](NCC#Cc2ccccc2)[C@@H]1n1cccn1 ZINC000894758579 618448559 /nfs/dbraw/zinc/44/85/59/618448559.db2.gz KEVFSAWVYZORED-OTWHNJEPSA-N 0 3 323.440 3.022 20 30 DGEDHN C#C[C@@H](NCC[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870034 618483943 /nfs/dbraw/zinc/48/39/43/618483943.db2.gz HAWVEVWJQJAPNL-SWLSCSKDSA-N 0 3 308.219 3.140 20 30 DGEDHN C#C[C@H](NCCC[C@H]1CCO1)c1ccc(Br)cc1 ZINC000894871001 618484336 /nfs/dbraw/zinc/48/43/36/618484336.db2.gz RHSSXKDSYIUIIT-GJZGRUSLSA-N 0 3 308.219 3.282 20 30 DGEDHN C#Cc1ccc(CNCc2ccccc2N2CCO[C@H](C)C2)cc1 ZINC000894872135 618484530 /nfs/dbraw/zinc/48/45/30/618484530.db2.gz FOKVBFNJRKRRHM-QGZVFWFLSA-N 0 3 320.436 3.183 20 30 DGEDHN COc1ccc([C@@H](OC)[C@H](C)NCC#Cc2ccccc2)cc1 ZINC000893296948 618502072 /nfs/dbraw/zinc/50/20/72/618502072.db2.gz GPQSKGDAWJCNTK-JXFKEZNVSA-N 0 3 309.409 3.413 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(Br)c1 ZINC000776186532 618522130 /nfs/dbraw/zinc/52/21/30/618522130.db2.gz UOTXFWFTQHPRRP-UHFFFAOYSA-N 0 3 319.206 3.356 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000788857627 625282248 /nfs/dbraw/zinc/28/22/48/625282248.db2.gz WMHQUYZVNVCABP-QLFBSQMISA-N 0 3 309.454 3.256 20 30 DGEDHN COC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C ZINC000894103939 618711209 /nfs/dbraw/zinc/71/12/09/618711209.db2.gz XYZODCFFXRFLCO-LJQANCHMSA-N 0 3 320.392 3.430 20 30 DGEDHN C#CC1(O)CCN(C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000895384493 618776885 /nfs/dbraw/zinc/77/68/85/618776885.db2.gz PXYBQDZCCOIZHZ-WYMLVPIESA-N 0 3 321.367 3.151 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000895675745 618815189 /nfs/dbraw/zinc/81/51/89/618815189.db2.gz VXXJDMXZXDCZGI-UHFFFAOYSA-N 0 3 313.441 3.358 20 30 DGEDHN C=CCC1(O)CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000895835099 618839726 /nfs/dbraw/zinc/83/97/26/618839726.db2.gz ZHYOAMFAHKQVBL-UHFFFAOYSA-N 0 3 306.793 3.384 20 30 DGEDHN C#CCC1([NH2+]Cc2cc(Cl)c([O-])c(OCC)c2)CCOCC1 ZINC000895894956 618845549 /nfs/dbraw/zinc/84/55/49/618845549.db2.gz SPPDNLXNOPILOX-UHFFFAOYSA-N 0 3 323.820 3.106 20 30 DGEDHN COC1(OC)CC2(CN(Cc3ccc(C#N)cc3)[C@H]2C(C)C)C1 ZINC000895994699 618859841 /nfs/dbraw/zinc/85/98/41/618859841.db2.gz GLWLLHSCZFZPRQ-KRWDZBQOSA-N 0 3 314.429 3.168 20 30 DGEDHN Cc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c([O-])c1 ZINC000896650573 618941181 /nfs/dbraw/zinc/94/11/81/618941181.db2.gz IHFJEFWEEPJWOU-QGZVFWFLSA-N 0 3 322.412 3.044 20 30 DGEDHN Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c([O-])c1 ZINC000896650573 618941183 /nfs/dbraw/zinc/94/11/83/618941183.db2.gz IHFJEFWEEPJWOU-QGZVFWFLSA-N 0 3 322.412 3.044 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)C(C)(C)O)c([O-])c1 ZINC000840708668 618983227 /nfs/dbraw/zinc/98/32/27/618983227.db2.gz CULXIGZVMAGDCD-XDHOZWIPSA-N 0 3 306.450 3.454 20 30 DGEDHN CC1(C)CC[C@H](CCNCc2cc(C#N)cnc2Cl)OC1 ZINC000897475960 619133237 /nfs/dbraw/zinc/13/32/37/619133237.db2.gz GOJYFLKSVIUTFJ-CQSZACIVSA-N 0 3 307.825 3.292 20 30 DGEDHN CC[C@H](NCCNc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000927166352 619310813 /nfs/dbraw/zinc/31/08/13/619310813.db2.gz WCJYJVZXCAAOOX-INIZCTEOSA-N 0 3 316.355 3.384 20 30 DGEDHN C#CCN(C(=S)Nc1cccc(C)c1C)C1CCN(C)CC1 ZINC000899613516 619359531 /nfs/dbraw/zinc/35/95/31/619359531.db2.gz DSFZRLNNEAFPIR-UHFFFAOYSA-N 0 3 315.486 3.030 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC000901679760 619532659 /nfs/dbraw/zinc/53/26/59/619532659.db2.gz PYYOEEPWJMSKCS-XIRDDKMYSA-N 0 3 308.466 3.039 20 30 DGEDHN C=CCCC[C@@H](NC1CC[NH+](CC(=O)[O-])CC1)c1ccccc1 ZINC000902328696 619621545 /nfs/dbraw/zinc/62/15/45/619621545.db2.gz UCDNEUCPVQKFRG-GOSISDBHSA-N 0 3 316.445 3.223 20 30 DGEDHN C[C@@H](NCCCN(C)c1ccccc1F)c1cc(C#N)ccn1 ZINC000902758033 619671092 /nfs/dbraw/zinc/67/10/92/619671092.db2.gz BLYTUKRYVFAQAD-CQSZACIVSA-N 0 3 312.392 3.269 20 30 DGEDHN CC[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1cccc(C#N)c1 ZINC000902950045 619696516 /nfs/dbraw/zinc/69/65/16/619696516.db2.gz DTMAVBZSCOLYRN-LJQANCHMSA-N 0 3 319.408 3.085 20 30 DGEDHN C[C@@H](NCCc1ccc(F)c(F)c1F)c1cc(C#N)ccn1 ZINC000902952212 619696906 /nfs/dbraw/zinc/69/69/06/619696906.db2.gz VKKPQWFXSBZXTF-SNVBAGLBSA-N 0 3 305.303 3.264 20 30 DGEDHN C[C@@H](N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000903039173 619705502 /nfs/dbraw/zinc/70/55/02/619705502.db2.gz ROFUMSKXMVVCIO-VHDGCEQUSA-N 0 3 315.417 3.114 20 30 DGEDHN CC(=O)OCc1cccc([C@H](C)NCc2cccc(C#N)c2)c1 ZINC000903066681 619709626 /nfs/dbraw/zinc/70/96/26/619709626.db2.gz NNZUHOMXTWFLLH-AWEZNQCLSA-N 0 3 308.381 3.472 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NCC(C)(C)C#N ZINC000903100176 619716348 /nfs/dbraw/zinc/71/63/48/619716348.db2.gz IVSHXRRWEXLXES-KBPBESRZSA-N 0 3 309.454 3.352 20 30 DGEDHN C=CCC[C@H](NC[C@@H](C)S(C)(=O)=O)c1cccc(Cl)c1 ZINC000903128485 619722857 /nfs/dbraw/zinc/72/28/57/619722857.db2.gz ZMJMKTGJRUMXQR-DOMZBBRYSA-N 0 3 315.866 3.370 20 30 DGEDHN C=CCC[C@H](NC[C@@]1(c2cnn(C)c2)CCCO1)c1ccco1 ZINC000903360875 619765571 /nfs/dbraw/zinc/76/55/71/619765571.db2.gz OLICMWGYQLAVSG-FUHWJXTLSA-N 0 3 315.417 3.316 20 30 DGEDHN Cc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1OC(F)F ZINC000905083501 619968196 /nfs/dbraw/zinc/96/81/96/619968196.db2.gz DXNDAXQYNCVMEG-CAXXOGMASA-N 0 3 305.284 3.029 20 30 DGEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(C(F)(F)F)c1 ZINC000905086682 619968995 /nfs/dbraw/zinc/96/89/95/619968995.db2.gz SMFFCILDAGLSBK-LXVJHYFWSA-N 0 3 323.274 3.146 20 30 DGEDHN Cc1cc(C#N)cc(C)c1COc1ccc2c(c1)OCCNC2 ZINC000905613773 620012323 /nfs/dbraw/zinc/01/23/23/620012323.db2.gz OPVMXSYIBXJLPG-UHFFFAOYSA-N 0 3 308.381 3.236 20 30 DGEDHN C[C@]1(C#N)CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000907334774 620149839 /nfs/dbraw/zinc/14/98/39/620149839.db2.gz IRURMSTWLBDEHJ-GOSISDBHSA-N 0 3 310.401 3.057 20 30 DGEDHN C[C@H](NC(=O)c1ccsc1C#N)[C@H](c1ccccc1)N(C)C ZINC000907445183 620157825 /nfs/dbraw/zinc/15/78/25/620157825.db2.gz AWBRCBWCCHASDP-BLLLJJGKSA-N 0 3 313.426 3.041 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000911927977 620352723 /nfs/dbraw/zinc/35/27/23/620352723.db2.gz JTVSORXKONRLAF-LBPRGKRZSA-N 0 3 302.296 3.207 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000912459618 620387209 /nfs/dbraw/zinc/38/72/09/620387209.db2.gz VFZBVXCRKFYITR-HNNXBMFYSA-N 0 3 315.442 3.110 20 30 DGEDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCC#N ZINC000913097827 620423791 /nfs/dbraw/zinc/42/37/91/620423791.db2.gz SGVRNBYAMAOQPE-WMZOPIPTSA-N 0 3 313.445 3.097 20 30 DGEDHN CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000913666166 620469425 /nfs/dbraw/zinc/46/94/25/620469425.db2.gz UQAVFAMXJDQIOO-ZBFHGGJFSA-N 0 3 310.401 3.055 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@H](C)N1CCc2ccccc2C1 ZINC000914558461 620541696 /nfs/dbraw/zinc/54/16/96/620541696.db2.gz VZRSCJSZVUEQAM-MNAFEPAFSA-N 0 3 324.424 3.267 20 30 DGEDHN C=C(C)CNC(=S)NC[C@@H](c1ccsc1)N(CC)CC ZINC000915126516 620569818 /nfs/dbraw/zinc/56/98/18/620569818.db2.gz HDZCKHAEKNHHJW-AWEZNQCLSA-N 0 3 311.520 3.171 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000915681014 620594235 /nfs/dbraw/zinc/59/42/35/620594235.db2.gz JAZVCGALVUPXHH-UHFFFAOYSA-N 0 3 304.397 3.198 20 30 DGEDHN CN(C)[C@H](CNC(=S)Nc1ccccc1C#N)c1ccccc1 ZINC000915995030 620612218 /nfs/dbraw/zinc/61/22/18/620612218.db2.gz CCVKETTVWHFMIG-QGZVFWFLSA-N 0 3 324.453 3.148 20 30 DGEDHN C#CCN(C(=O)N[C@H](CCC)CCCC)C1CCN(C)CC1 ZINC000921324275 620849961 /nfs/dbraw/zinc/84/99/61/620849961.db2.gz WFMOUARGDMHUPT-MRXNPFEDSA-N 0 3 307.482 3.084 20 30 DGEDHN N#Cc1cc(CNC[C@H](c2ccco2)N2CCCC2)cs1 ZINC000921474987 620859749 /nfs/dbraw/zinc/85/97/49/620859749.db2.gz NCFUQRSDFRGGHO-OAHLLOKOSA-N 0 3 301.415 3.139 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(N2CCCC2)nc1 ZINC000921520650 620896258 /nfs/dbraw/zinc/89/62/58/620896258.db2.gz JBPOVTXCSQQRAH-UHFFFAOYSA-N 0 3 320.440 3.460 20 30 DGEDHN CN(C)[C@@H](CNCc1csc(C#N)c1)c1c(F)cccc1F ZINC000921745153 620943712 /nfs/dbraw/zinc/94/37/12/620943712.db2.gz IXQYTUVCKZUUAH-HNNXBMFYSA-N 0 3 321.396 3.290 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](CCO)c1cccs1 ZINC000921769189 620947312 /nfs/dbraw/zinc/94/73/12/620947312.db2.gz BERBRQKRYIUWSQ-INIZCTEOSA-N 0 3 300.427 3.450 20 30 DGEDHN Cn1nc2c(c1CN[C@@H](CCCC#N)c1ccccc1)COCC2 ZINC000922145325 620995538 /nfs/dbraw/zinc/99/55/38/620995538.db2.gz PNRGYFPLTXMMGF-KRWDZBQOSA-N 0 3 324.428 3.018 20 30 DGEDHN C#CCN(C(=O)N[C@@H](C)CC1CCCCC1)C1CCN(C)CC1 ZINC000922224417 621008078 /nfs/dbraw/zinc/00/80/78/621008078.db2.gz QZMNAASHQCCQRN-INIZCTEOSA-N 0 3 319.493 3.084 20 30 DGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114620765 621024846 /nfs/dbraw/zinc/02/48/46/621024846.db2.gz AMZZFKPNXLUNHV-GXSJLCMTSA-N 0 3 303.412 3.133 20 30 DGEDHN Cn1cnc2cc(CNCc3ccc(C4(C#N)CC4)cc3)ccc21 ZINC000922480516 621042262 /nfs/dbraw/zinc/04/22/62/621042262.db2.gz HEAOURKQGAPVBK-UHFFFAOYSA-N 0 3 316.408 3.418 20 30 DGEDHN N#Cc1cc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)cs1 ZINC000922691314 621082311 /nfs/dbraw/zinc/08/23/11/621082311.db2.gz HJNLLSRJJXQYKC-CMPLNLGQSA-N 0 3 304.337 3.209 20 30 DGEDHN CC(C)[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cnn(C)c1 ZINC000922893777 621121547 /nfs/dbraw/zinc/12/15/47/621121547.db2.gz IOTSGVBTRGVOEK-KSSFIOAISA-N 0 3 312.417 3.198 20 30 DGEDHN N#Cc1ccccc1CSCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857850259 621122602 /nfs/dbraw/zinc/12/26/02/621122602.db2.gz VIROZYCLLSRNGN-MRXNPFEDSA-N 0 3 312.442 3.182 20 30 DGEDHN C#CCC1(NCc2csc(-c3cnn(C)c3)n2)CCCCC1 ZINC000922981580 621143477 /nfs/dbraw/zinc/14/34/77/621143477.db2.gz PQVZICOJFCUHRU-UHFFFAOYSA-N 0 3 314.458 3.359 20 30 DGEDHN C#CC[C@H](CCOC)NCc1ccc(Br)cc1F ZINC000858331776 621176568 /nfs/dbraw/zinc/17/65/68/621176568.db2.gz HAENMEIPGMCVFH-CYBMUJFWSA-N 0 3 314.198 3.106 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000858333790 621176964 /nfs/dbraw/zinc/17/69/64/621176964.db2.gz BETDGMZFCYPUMN-INIZCTEOSA-N 0 3 314.360 3.141 20 30 DGEDHN Cc1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1C#N ZINC000859158500 621255119 /nfs/dbraw/zinc/25/51/19/621255119.db2.gz FJCHNQFMDNFEAK-LJQANCHMSA-N 0 3 314.429 3.027 20 30 DGEDHN Cc1ccc(CN2CCC(N(C)CC(F)F)CC2)cc1C#N ZINC000859196831 621259384 /nfs/dbraw/zinc/25/93/84/621259384.db2.gz IRJFHDBJGBSEMG-UHFFFAOYSA-N 0 3 307.388 3.028 20 30 DGEDHN N#CC(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc2ccccc2n1 ZINC000838783735 621280192 /nfs/dbraw/zinc/28/01/92/621280192.db2.gz UBCWVJLMWGWGQZ-ZGKBOVNRSA-N 0 3 304.349 3.026 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000838864879 621292510 /nfs/dbraw/zinc/29/25/10/621292510.db2.gz JBPUKBMHBNPRAL-UONOGXRCSA-N 0 3 322.355 3.002 20 30 DGEDHN N#Cc1ccccc1-c1ccc(CNC2(C(N)=O)CCCC2)cc1 ZINC000839521405 621381334 /nfs/dbraw/zinc/38/13/34/621381334.db2.gz WGEKNWOULXGIKL-UHFFFAOYSA-N 0 3 319.408 3.113 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000860470560 621408537 /nfs/dbraw/zinc/40/85/37/621408537.db2.gz QNBXDMPJAKCRIB-CVEARBPZSA-N 0 3 316.401 3.102 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)c2ccco2)c1 ZINC000860469158 621408612 /nfs/dbraw/zinc/40/86/12/621408612.db2.gz PKVUJHLXCJVOSB-HIFRSBDPSA-N 0 3 310.353 3.429 20 30 DGEDHN CCC[C@H](C(=O)C(C#N)C(=O)NC(C)C)c1cccc(Cl)c1 ZINC000860472805 621409039 /nfs/dbraw/zinc/40/90/39/621409039.db2.gz OURZECVFOIGWIY-LSDHHAIUSA-N 0 3 320.820 3.457 20 30 DGEDHN CCC[C@H](C(=O)C(C#N)C(=O)NC(C)C)c1cccc(Cl)c1 ZINC000860472803 621409054 /nfs/dbraw/zinc/40/90/54/621409054.db2.gz OURZECVFOIGWIY-GJZGRUSLSA-N 0 3 320.820 3.457 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3ccco3)nc21 ZINC000860555211 621417172 /nfs/dbraw/zinc/41/71/72/621417172.db2.gz GIXIXLIXLGEBHK-UPJWGTAASA-N 0 3 305.337 3.444 20 30 DGEDHN CCC(C#N)(CC)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000860622631 621425146 /nfs/dbraw/zinc/42/51/46/621425146.db2.gz MOQYXMWZNIWOBP-UHFFFAOYSA-N 0 3 318.417 3.365 20 30 DGEDHN C[C@@H]1CC(N=Nc2ccc(Br)cc2)CN1C1CC1 ZINC000753955701 621474449 /nfs/dbraw/zinc/47/44/49/621474449.db2.gz PUNBJECGWSQKSR-SNVBAGLBSA-N 0 3 308.223 3.474 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000754665090 621523005 /nfs/dbraw/zinc/52/30/05/621523005.db2.gz UZZPWNCZRBPCMU-WOSRLPQWSA-N 0 3 307.463 3.150 20 30 DGEDHN C#CCCCN(CCOC)Cc1cc(Br)cs1 ZINC000755206165 621558585 /nfs/dbraw/zinc/55/85/85/621558585.db2.gz IYKZJYOCAANXEZ-UHFFFAOYSA-N 0 3 316.264 3.372 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCOC1 ZINC000755663843 621584424 /nfs/dbraw/zinc/58/44/24/621584424.db2.gz GSSZUPJQLVKWMA-BMIGLBTASA-N 0 3 304.346 3.038 20 30 DGEDHN C#CC[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000862443310 621590877 /nfs/dbraw/zinc/59/08/77/621590877.db2.gz OBWCXDFPENJVOL-ZDUSSCGKSA-N 0 3 305.805 3.347 20 30 DGEDHN C#CC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862445198 621591270 /nfs/dbraw/zinc/59/12/70/621591270.db2.gz NZOFMCMAIADDTH-LLVKDONJSA-N 0 3 324.218 3.009 20 30 DGEDHN C#CC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862445198 621591274 /nfs/dbraw/zinc/59/12/74/621591274.db2.gz NZOFMCMAIADDTH-LLVKDONJSA-N 0 3 324.218 3.009 20 30 DGEDHN COc1cc(CN2CCC[C@@](O)(c3ccccc3)C2)ccc1C#N ZINC000862483712 621594249 /nfs/dbraw/zinc/59/42/49/621594249.db2.gz XAOCCPUAEIAMDA-FQEVSTJZSA-N 0 3 322.408 3.050 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000863373947 621668080 /nfs/dbraw/zinc/66/80/80/621668080.db2.gz HFZJPEMUXWXUNJ-ICSRJNTNSA-N 0 3 324.468 3.144 20 30 DGEDHN C#CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000805112255 621694542 /nfs/dbraw/zinc/69/45/42/621694542.db2.gz IPLFFFSKIPOZBP-INIZCTEOSA-N 0 3 321.852 3.045 20 30 DGEDHN C[C@@H](CCC#N)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839617926 621700931 /nfs/dbraw/zinc/70/09/31/621700931.db2.gz DZUIDKQYVMVWAD-SJCJKPOMSA-N 0 3 308.372 3.402 20 30 DGEDHN N#Cc1cc([O-])ccc1-c1cccc(C[NH2+]C2CCOCC2)c1 ZINC000863723259 621703948 /nfs/dbraw/zinc/70/39/48/621703948.db2.gz VDQFOXITXSFKLA-UHFFFAOYSA-N 0 3 308.381 3.199 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c([O-])c1 ZINC000864346914 621759424 /nfs/dbraw/zinc/75/94/24/621759424.db2.gz GSYUKPWGJCSDQX-SNRPTTDZSA-N 0 3 314.429 3.081 20 30 DGEDHN C#CC[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805893012 625515095 /nfs/dbraw/zinc/51/50/95/625515095.db2.gz LFWVJVLJEBCMRD-LJQANCHMSA-N 0 3 311.425 3.244 20 30 DGEDHN C=CCCCCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865531578 621944784 /nfs/dbraw/zinc/94/47/84/621944784.db2.gz PUTQAPKOXIIDSS-UHFFFAOYSA-N 0 3 306.410 3.270 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000865593334 621958649 /nfs/dbraw/zinc/95/86/49/621958649.db2.gz KIQYMIZSJCYSCH-UHFFFAOYSA-N 0 3 318.420 3.194 20 30 DGEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)Nc1cccc(C)c1)C(C)C ZINC000761037528 621980895 /nfs/dbraw/zinc/98/08/95/621980895.db2.gz HWWHVIWSHGEWTF-WBVHZDCISA-N 0 3 316.401 3.094 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CCOC2)CC1 ZINC000761058142 621983339 /nfs/dbraw/zinc/98/33/39/621983339.db2.gz HQHSODGWBAZMSA-UHFFFAOYSA-N 0 3 320.820 3.245 20 30 DGEDHN CCn1ccnc1[C@@H](C)NC1CCN(c2ccccc2C#N)CC1 ZINC000866448920 622120540 /nfs/dbraw/zinc/12/05/40/622120540.db2.gz NXBNGXWUGIUDFF-OAHLLOKOSA-N 0 3 323.444 3.094 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cc3c([nH]c1=O)CCCC3)CC2 ZINC000866643670 622152832 /nfs/dbraw/zinc/15/28/32/622152832.db2.gz WFUDMGHPQJZGDS-IBGZPJMESA-N 0 3 319.408 3.315 20 30 DGEDHN C#CCN(CC1(COc2cccc(COC)c2)CCC1)C1CC1 ZINC000763951616 622170612 /nfs/dbraw/zinc/17/06/12/622170612.db2.gz YTGVHUUAJWXEOR-UHFFFAOYSA-N 0 3 313.441 3.480 20 30 DGEDHN CCCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000867633483 622175699 /nfs/dbraw/zinc/17/56/99/622175699.db2.gz ZWNKMUZMQASAPQ-GFCCVEGCSA-N 0 3 301.415 3.204 20 30 DGEDHN Fc1ccc(CCN2CCC(=NOCC(F)(F)F)CC2)cc1 ZINC000764836499 622224714 /nfs/dbraw/zinc/22/47/14/622224714.db2.gz VEOWZYKDEWYRBM-UHFFFAOYSA-N 0 3 318.314 3.399 20 30 DGEDHN C[C@@](O)(CNCc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000764981270 622237346 /nfs/dbraw/zinc/23/73/46/622237346.db2.gz SCYGJYQNALOYBP-QGZVFWFLSA-N 0 3 318.779 3.348 20 30 DGEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000805308139 622275978 /nfs/dbraw/zinc/27/59/78/622275978.db2.gz ADEGYJAVMLIVFZ-CJNGLKHVSA-N 0 3 321.852 3.044 20 30 DGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765795183 622287724 /nfs/dbraw/zinc/28/77/24/622287724.db2.gz GFNVOYYOVFZKSF-IAGOWNOFSA-N 0 3 323.481 3.091 20 30 DGEDHN CC(C)(NCc1ccc(OCC#N)cc1)C(=O)Nc1ccccc1 ZINC000766920475 622361789 /nfs/dbraw/zinc/36/17/89/622361789.db2.gz SHMCKBOLYTZMOH-UHFFFAOYSA-N 0 3 323.396 3.096 20 30 DGEDHN N#Cc1cccc(Oc2ccnc(NCCN3CCCCC3)n2)c1 ZINC000881809650 625567227 /nfs/dbraw/zinc/56/72/27/625567227.db2.gz ZIKAYTUEEULBBR-UHFFFAOYSA-N 0 3 323.400 3.038 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3c(c2)COC3)cc1 ZINC000769928447 622578109 /nfs/dbraw/zinc/57/81/09/622578109.db2.gz PKXBWSVBUHPTIP-CQSZACIVSA-N 0 3 308.381 3.297 20 30 DGEDHN C#C[C@@H](C)N(C)Cc1ccc(Br)c2cccnc12 ZINC000769963464 622582164 /nfs/dbraw/zinc/58/21/64/622582164.db2.gz UIMPGDLKQBPDOR-LLVKDONJSA-N 0 3 303.203 3.451 20 30 DGEDHN C=CCN1CCC(Nc2nc(SC)nc(Cl)c2F)CC1 ZINC000872446668 622916864 /nfs/dbraw/zinc/91/68/64/622916864.db2.gz MQEBOCNNOQLXKK-UHFFFAOYSA-N 0 3 316.833 3.053 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000129383267 625605390 /nfs/dbraw/zinc/60/53/90/625605390.db2.gz JCTGZIUURBQPLK-HZSPNIEDSA-N 0 3 318.442 3.175 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1sccc1C ZINC000129382806 625605420 /nfs/dbraw/zinc/60/54/20/625605420.db2.gz QDFHOFXGHBBUMQ-CQSZACIVSA-N 0 3 320.458 3.395 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773768981 623071607 /nfs/dbraw/zinc/07/16/07/623071607.db2.gz HMSRBENTRXEILI-IUODEOHRSA-N 0 3 318.442 3.428 20 30 DGEDHN CCN1CCCC[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000773952612 623092556 /nfs/dbraw/zinc/09/25/56/623092556.db2.gz ARAGBVLNDIEUIL-JSGCOSHPSA-N 0 3 313.426 3.347 20 30 DGEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)sc1C ZINC000774042264 623101364 /nfs/dbraw/zinc/10/13/64/623101364.db2.gz FUNONHQUIYAGTP-ZDUSSCGKSA-N 0 3 313.382 3.030 20 30 DGEDHN CCC(CC)CNN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000774472775 623149647 /nfs/dbraw/zinc/14/96/47/623149647.db2.gz QOAAYKBWPGSCPA-UHFFFAOYSA-N 0 3 303.450 3.273 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCC[C@H]2OC)c([O-])c1 ZINC000774542959 623159160 /nfs/dbraw/zinc/15/91/60/623159160.db2.gz SEXGAYBEBGFTGU-MLPORBBXSA-N 0 3 304.434 3.472 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CCC=CCC2)c1 ZINC000873498210 623160468 /nfs/dbraw/zinc/16/04/68/623160468.db2.gz SEQTULBMZAFTJV-INIZCTEOSA-N 0 3 312.369 3.089 20 30 DGEDHN CC(C)CC[C@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000775143980 623234865 /nfs/dbraw/zinc/23/48/65/623234865.db2.gz GNOQMMBQPPQZSH-INIZCTEOSA-N 0 3 321.852 3.437 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775229109 623243344 /nfs/dbraw/zinc/24/33/44/623243344.db2.gz ZIMBXZWOCSLKJV-MRXNPFEDSA-N 0 3 310.353 3.041 20 30 DGEDHN C#C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC000775342463 623257463 /nfs/dbraw/zinc/25/74/63/623257463.db2.gz RQDPPJQXEDMXTQ-QUCCMNQESA-N 0 3 307.393 3.330 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)COc1cc(C)cc(C)c1)c1ccccc1 ZINC000775398573 623268008 /nfs/dbraw/zinc/26/80/08/623268008.db2.gz KAGATGXBOOHXMJ-CTNGQTDRSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)COc1cc(C)ccc1C)c1ccccc1 ZINC000775398814 623268049 /nfs/dbraw/zinc/26/80/49/623268049.db2.gz BSIKEKDAIGTKHR-WOJBJXKFSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@H](NC[C@H](O)COc1ccc(C)cc1C)c1ccccc1 ZINC000775405042 623270356 /nfs/dbraw/zinc/27/03/56/623270356.db2.gz UKGKDTGAOIYPSK-PMACEKPBSA-N 0 3 323.436 3.397 20 30 DGEDHN N#CCC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775550633 623288965 /nfs/dbraw/zinc/28/89/65/623288965.db2.gz JNVMOWUEAZPJSG-MOPGFXCFSA-N 0 3 305.381 3.226 20 30 DGEDHN Cc1ccc(NC2CCN([C@@H](C)c3ccncc3)CC2)c(C#N)n1 ZINC000882124578 625641380 /nfs/dbraw/zinc/64/13/80/625641380.db2.gz YEKGJSADYMLVLQ-HNNXBMFYSA-N 0 3 321.428 3.294 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(Br)cc1 ZINC000776186529 623392376 /nfs/dbraw/zinc/39/23/76/623392376.db2.gz UJSQHQVMUTVAQJ-UHFFFAOYSA-N 0 3 319.206 3.356 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2ccccc2CC#N)c1 ZINC000777427389 623523229 /nfs/dbraw/zinc/52/32/29/623523229.db2.gz DNMSJZKPSCVPQT-UHFFFAOYSA-N 0 3 321.424 3.304 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@H](C2CC2)C1 ZINC000778177072 623620620 /nfs/dbraw/zinc/62/06/20/623620620.db2.gz NRNWIDZHAKHSJK-KDOFPFPSSA-N 0 3 319.832 3.399 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCC[C@@H]1OC ZINC000778178087 623621224 /nfs/dbraw/zinc/62/12/24/623621224.db2.gz IVIMFLFJDYLQFL-CJNGLKHVSA-N 0 3 307.821 3.257 20 30 DGEDHN C[C@H](CCC#N)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000876531910 623635144 /nfs/dbraw/zinc/63/51/44/623635144.db2.gz STGCVYBMMCPPKG-NVXWUHKLSA-N 0 3 302.418 3.313 20 30 DGEDHN C[C@H](CCC#N)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000876531910 623635147 /nfs/dbraw/zinc/63/51/47/623635147.db2.gz STGCVYBMMCPPKG-NVXWUHKLSA-N 0 3 302.418 3.313 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000876544742 623639722 /nfs/dbraw/zinc/63/97/22/623639722.db2.gz XSBDQPDJXVZUJL-SNVBAGLBSA-N 0 3 306.765 3.410 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876557344 623643512 /nfs/dbraw/zinc/64/35/12/623643512.db2.gz FLCAYMXOYIZBPG-SKDRFNHKSA-N 0 3 320.742 3.353 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000876561863 623644602 /nfs/dbraw/zinc/64/46/02/623644602.db2.gz MFXGKNCGTSNKSD-KGLIPLIRSA-N 0 3 313.228 3.377 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCCSc1ccc(Cl)cc1 ZINC000876564158 623645426 /nfs/dbraw/zinc/64/54/26/623645426.db2.gz ILDDVDMYQOCZRU-LBPRGKRZSA-N 0 3 319.257 3.018 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000876572415 623648483 /nfs/dbraw/zinc/64/84/83/623648483.db2.gz XJDQUALDPHAHSE-STQMWFEESA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000876584903 623651636 /nfs/dbraw/zinc/65/16/36/623651636.db2.gz SCMBSLYFPUMHPQ-OAHLLOKOSA-N 0 3 308.809 3.416 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1cccc(Cl)c1 ZINC000876586695 623652533 /nfs/dbraw/zinc/65/25/33/623652533.db2.gz KLSSYZZXHPGDCJ-CHWSQXEVSA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000876587887 623653062 /nfs/dbraw/zinc/65/30/62/623653062.db2.gz BHGSENSCEZUOHZ-ZWNOBZJWSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000876594018 623654672 /nfs/dbraw/zinc/65/46/72/623654672.db2.gz QXOCXCVXXCDRTK-KBPBESRZSA-N 0 3 312.816 3.499 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)[C@H]1CCc2ccccc21 ZINC000876597601 623655789 /nfs/dbraw/zinc/65/57/89/623655789.db2.gz HZQBOUYTVHBXLY-CVEARBPZSA-N 0 3 306.837 3.382 20 30 DGEDHN CCN(Cc1cnc2c(cnn2C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000876599220 623656845 /nfs/dbraw/zinc/65/68/45/623656845.db2.gz XFBDEBBRDOGFLZ-AWEZNQCLSA-N 0 3 319.412 3.423 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](C)c1cccc(OC)c1 ZINC000876605311 623657824 /nfs/dbraw/zinc/65/78/24/623657824.db2.gz KXSQZRLOWCVRKD-SWLSCSKDSA-N 0 3 310.825 3.075 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000876606543 623658552 /nfs/dbraw/zinc/65/85/52/623658552.db2.gz BSPIJXLFLYWQIU-GFCCVEGCSA-N 0 3 320.742 3.134 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000876613213 623660220 /nfs/dbraw/zinc/66/02/20/623660220.db2.gz LDFZYWODHSGXEE-CQSZACIVSA-N 0 3 319.792 3.367 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000876622862 623662305 /nfs/dbraw/zinc/66/23/05/623662305.db2.gz OQUJXJAMNUJBJE-INIZCTEOSA-N 0 3 306.837 3.285 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000876638621 623666580 /nfs/dbraw/zinc/66/65/80/623666580.db2.gz MFQQRLKMBDEJST-GFCCVEGCSA-N 0 3 308.784 3.064 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000876644975 623668582 /nfs/dbraw/zinc/66/85/82/623668582.db2.gz GWUQMIBJYRBVAS-IKGGRYGDSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(SC(F)F)c1 ZINC000876645685 623669494 /nfs/dbraw/zinc/66/94/94/623669494.db2.gz QBHCMXGOQRPIPX-SNVBAGLBSA-N 0 3 306.765 3.410 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000876672677 623677013 /nfs/dbraw/zinc/67/70/13/623677013.db2.gz XNJULJVHZOHFQU-UONOGXRCSA-N 0 3 315.244 3.247 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000876670935 623677067 /nfs/dbraw/zinc/67/70/67/623677067.db2.gz IARGPPWLINLYHY-SMDDNHRTSA-N 0 3 315.244 3.199 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000876672268 623677158 /nfs/dbraw/zinc/67/71/58/623677158.db2.gz LNXSZSQXBQICKX-NKZPBKNFSA-N 0 3 310.800 3.035 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1cc(F)ccc1F ZINC000876677639 623679378 /nfs/dbraw/zinc/67/93/78/623679378.db2.gz SVDXSGFJNZIOMA-QWHCGFSZSA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)cc1OCC ZINC000876688512 623682898 /nfs/dbraw/zinc/68/28/98/623682898.db2.gz ZTYJZERVHVZAPP-SNVBAGLBSA-N 0 3 303.189 3.147 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000876699797 623686094 /nfs/dbraw/zinc/68/60/94/623686094.db2.gz JDMHAPASRCECPZ-AWEZNQCLSA-N 0 3 319.792 3.367 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN(C)[C@H](CCO)c1ccccc1 ZINC000876741941 623694172 /nfs/dbraw/zinc/69/41/72/623694172.db2.gz WZSXFSZHDINCGN-HXUWFJFHSA-N 0 3 323.440 3.180 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000876745785 623695750 /nfs/dbraw/zinc/69/57/50/623695750.db2.gz LWMYQKNWVBEZFE-LBPRGKRZSA-N 0 3 318.808 3.239 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)N(CCCC)CC2 ZINC000876778771 623703730 /nfs/dbraw/zinc/70/37/30/623703730.db2.gz NWWPUYMMCYJWEE-OAHLLOKOSA-N 0 3 321.852 3.258 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(F)cc1F ZINC000778995752 623718023 /nfs/dbraw/zinc/71/80/23/623718023.db2.gz DGHXEOOZZDGUIJ-QGZVFWFLSA-N 0 3 307.340 3.322 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000876887894 623737121 /nfs/dbraw/zinc/73/71/21/623737121.db2.gz JFHUNTDSSHETIE-BBRMVZONSA-N 0 3 308.853 3.327 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000779160993 623737776 /nfs/dbraw/zinc/73/77/76/623737776.db2.gz FBVRTBLGAUDDBF-HUUCEWRRSA-N 0 3 319.832 3.210 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC000876908714 623742116 /nfs/dbraw/zinc/74/21/16/623742116.db2.gz PWXBRWKUQIAJIO-HOTGVXAUSA-N 0 3 308.853 3.087 20 30 DGEDHN COc1ccc(CCCNCc2cc(C#N)cnc2Cl)cc1 ZINC000876958294 623754709 /nfs/dbraw/zinc/75/47/09/623754709.db2.gz XXCMUMGGXBMIPR-UHFFFAOYSA-N 0 3 315.804 3.338 20 30 DGEDHN COc1ccc(CCNCc2cc(C#N)cnc2Cl)cc1F ZINC000877006498 623764550 /nfs/dbraw/zinc/76/45/50/623764550.db2.gz LAAWKOIOXUFLAM-UHFFFAOYSA-N 0 3 319.767 3.087 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCCc2cccc(F)c2)c1 ZINC000877007959 623765312 /nfs/dbraw/zinc/76/53/12/623765312.db2.gz BLWBTQMFIDCDRH-UHFFFAOYSA-N 0 3 303.768 3.468 20 30 DGEDHN Cc1nc(C)c(CCNCc2cc(C#N)cnc2Cl)s1 ZINC000877027385 623769133 /nfs/dbraw/zinc/76/91/33/623769133.db2.gz NHDRLZVKYLNNPF-UHFFFAOYSA-N 0 3 306.822 3.012 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C12CCCC2 ZINC000877070358 623783380 /nfs/dbraw/zinc/78/33/80/623783380.db2.gz NRTOCILYKYIQHK-CABCVRRESA-N 0 3 319.836 3.434 20 30 DGEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1C ZINC000877085242 623787723 /nfs/dbraw/zinc/78/77/23/623787723.db2.gz RVDQELIBVBVMQG-OAHLLOKOSA-N 0 3 303.406 3.134 20 30 DGEDHN CCC1(CC)[C@H](NCc2cc(C#N)cnc2Cl)C[C@H]1OC ZINC000877109957 623793152 /nfs/dbraw/zinc/79/31/52/623793152.db2.gz JKDQPIUSGDUUKU-ZIAGYGMSSA-N 0 3 307.825 3.290 20 30 DGEDHN CC(C)C[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877142427 623804954 /nfs/dbraw/zinc/80/49/54/623804954.db2.gz TVTMYOUYICUDMS-CABCVRRESA-N 0 3 307.825 3.290 20 30 DGEDHN C=CCc1cc(OC)cc(CN2CCC(C)(C#N)CC2)c1O ZINC000779880148 623825393 /nfs/dbraw/zinc/82/53/93/623825393.db2.gz UIFVIQOVHREFBY-UHFFFAOYSA-N 0 3 300.402 3.255 20 30 DGEDHN C[C@H]1CC(CCNCc2cc(C#N)cnc2Cl)C[C@H](C)O1 ZINC000877505386 623915888 /nfs/dbraw/zinc/91/58/88/623915888.db2.gz SNQOCSFQYKKESW-RYUDHWBXSA-N 0 3 307.825 3.290 20 30 DGEDHN C#C[C@H](N[C@H](C)C[C@H]1CCCC(=O)N1)c1ccc(Cl)cc1 ZINC000877541222 623933949 /nfs/dbraw/zinc/93/39/49/623933949.db2.gz MCEFQQUAFFJWIL-WQVCFCJDSA-N 0 3 304.821 3.051 20 30 DGEDHN Cc1cccnc1CCCNCc1cc(C#N)cnc1Cl ZINC000877565298 623945082 /nfs/dbraw/zinc/94/50/82/623945082.db2.gz FFSVGAAPEPCWPA-UHFFFAOYSA-N 0 3 300.793 3.033 20 30 DGEDHN CN(Cc1cc2ccccc2n1C)C[C@H](O)c1cccc(C#N)c1 ZINC000877610352 623961176 /nfs/dbraw/zinc/96/11/76/623961176.db2.gz TUDSZHBVRAWEDQ-FQEVSTJZSA-N 0 3 319.408 3.215 20 30 DGEDHN CC(C)O[C@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877611428 623962039 /nfs/dbraw/zinc/96/20/39/623962039.db2.gz RDYLJZNNWKTAIX-KRWDZBQOSA-N 0 3 301.434 3.014 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC2(CC2(F)F)CC1 ZINC000877613185 623963222 /nfs/dbraw/zinc/96/32/22/623963222.db2.gz ZGMVAZQENBDVHT-UHFFFAOYSA-N 0 3 305.372 3.245 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CNC2CSC2)c1 ZINC000877635404 623971728 /nfs/dbraw/zinc/97/17/28/623971728.db2.gz QBUYRAWIDPFPAP-UHFFFAOYSA-N 0 3 310.422 3.342 20 30 DGEDHN Cc1nc2ccccn2c1CN(C)CCc1cccc(C#N)c1 ZINC000877704582 623998962 /nfs/dbraw/zinc/99/89/62/623998962.db2.gz RDSWJAGQSCGDEV-UHFFFAOYSA-N 0 3 304.397 3.189 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC2(CO)CCCCCCC2)c1 ZINC000877714586 624003545 /nfs/dbraw/zinc/00/35/45/624003545.db2.gz OONBWSLPSOYAOX-UHFFFAOYSA-N 0 3 307.825 3.172 20 30 DGEDHN CC(=NN[C@H]1CCCC1(C)C)c1cccc(N2CCOCC2)c1 ZINC000782288045 624233903 /nfs/dbraw/zinc/23/39/03/624233903.db2.gz OAQFECHWSJDBKN-SFHVURJKSA-N 0 3 315.461 3.416 20 30 DGEDHN C=CCc1cc(OCC)cc(CN2CCOCC3(CC3)C2)c1O ZINC000782297459 624235178 /nfs/dbraw/zinc/23/51/78/624235178.db2.gz IXDKNNPCGGYPLK-UHFFFAOYSA-N 0 3 317.429 3.132 20 30 DGEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCOCC2)nc1 ZINC000783293955 624335210 /nfs/dbraw/zinc/33/52/10/624335210.db2.gz KTASGKLROJZGDW-LJQANCHMSA-N 0 3 307.397 3.211 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(C)cc1)C1CCCC1 ZINC000783289307 624335377 /nfs/dbraw/zinc/33/53/77/624335377.db2.gz JUVVLBZXGOMIQO-SFHVURJKSA-N 0 3 321.486 3.417 20 30 DGEDHN C[C@H](C#N)OCCN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000879079235 624421754 /nfs/dbraw/zinc/42/17/54/624421754.db2.gz GUCHUOSEEKFWOZ-YLJYHZDGSA-N 0 3 324.424 3.151 20 30 DGEDHN N#CCCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000879284209 624484106 /nfs/dbraw/zinc/48/41/06/624484106.db2.gz BHJJFPFLPWSNPA-GOSISDBHSA-N 0 3 317.408 3.067 20 30 DGEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1csc2ccccc21 ZINC000784346659 624507911 /nfs/dbraw/zinc/50/79/11/624507911.db2.gz JEODETYVNCYNDL-GFCCVEGCSA-N 0 3 313.426 3.114 20 30 DGEDHN COc1ncc(CN(C)CCc2cccc(C#N)c2)cc1Cl ZINC000879433116 624546636 /nfs/dbraw/zinc/54/66/36/624546636.db2.gz PKIBOIUCBVICJF-UHFFFAOYSA-N 0 3 315.804 3.290 20 30 DGEDHN COc1ccc([C@@H]2CN(Cc3ccc(C)c(C#N)c3)CCN2)cc1 ZINC000879523260 624576752 /nfs/dbraw/zinc/57/67/52/624576752.db2.gz WOQFJQPIHPIFMO-FQEVSTJZSA-N 0 3 321.424 3.022 20 30 DGEDHN CC(C)OCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000784831901 624585705 /nfs/dbraw/zinc/58/57/05/624585705.db2.gz RFXRYTRCDFDWSI-LBPRGKRZSA-N 0 3 322.792 3.193 20 30 DGEDHN C#C[C@@H](C)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784880179 624592368 /nfs/dbraw/zinc/59/23/68/624592368.db2.gz OMZMSDYXFVQSDF-MRXNPFEDSA-N 0 3 307.393 3.497 20 30 DGEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880064009 624772038 /nfs/dbraw/zinc/77/20/38/624772038.db2.gz IXEBZIVUPOLHFN-SWLSCSKDSA-N 0 3 312.335 3.142 20 30 DGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880064007 624772401 /nfs/dbraw/zinc/77/24/01/624772401.db2.gz IXEBZIVUPOLHFN-DOMZBBRYSA-N 0 3 312.335 3.142 20 30 DGEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000786310796 624846875 /nfs/dbraw/zinc/84/68/75/624846875.db2.gz WWWHFRDBYBIRKO-OAHLLOKOSA-N 0 3 324.380 3.302 20 30 DGEDHN C[C@H](c1ccccc1)N1CCN(CCCSCC#N)CC1 ZINC000880248450 624868124 /nfs/dbraw/zinc/86/81/24/624868124.db2.gz UESQVUGOHRWKNY-MRXNPFEDSA-N 0 3 303.475 3.012 20 30 DGEDHN CCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535053 624913123 /nfs/dbraw/zinc/91/31/23/624913123.db2.gz OEYYKOHADBLWMZ-AWEZNQCLSA-N 0 3 306.793 3.245 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000786538544 624914956 /nfs/dbraw/zinc/91/49/56/624914956.db2.gz GBBJDOWVDZUWGG-GOEBONIOSA-N 0 3 314.429 3.392 20 30 DGEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786541044 624915145 /nfs/dbraw/zinc/91/51/45/624915145.db2.gz OAJBSEMIVPHPGJ-GOEBONIOSA-N 0 3 324.380 3.025 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000786538545 624915214 /nfs/dbraw/zinc/91/52/14/624915214.db2.gz GBBJDOWVDZUWGG-HOCLYGCPSA-N 0 3 314.429 3.392 20 30 DGEDHN C=CCCC[C@H](NCC(=O)NCc1ccccn1)c1ccccc1 ZINC000880387496 624947769 /nfs/dbraw/zinc/94/77/69/624947769.db2.gz BBVSWHSWOJRJEC-IBGZPJMESA-N 0 3 323.440 3.385 20 30 DGEDHN C=CCCC[C@@H](NCC(=O)NCC(F)(F)F)c1ccccc1 ZINC000880389145 624948836 /nfs/dbraw/zinc/94/88/36/624948836.db2.gz SADZMBCPLGGWBS-CQSZACIVSA-N 0 3 314.351 3.352 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787072529 624975606 /nfs/dbraw/zinc/97/56/06/624975606.db2.gz QLMNCOZXKNMVPH-DLBZAZTESA-N 0 3 314.429 3.426 20 30 DGEDHN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787072293 624976008 /nfs/dbraw/zinc/97/60/08/624976008.db2.gz HRFOJKDPOAFYSC-OIISXLGYSA-N 0 3 312.413 3.180 20 30 DGEDHN C#CCn1ccc(CN(CC)c2ccnc3ccc(C)cc32)n1 ZINC000788565328 625218049 /nfs/dbraw/zinc/21/80/49/625218049.db2.gz HHVFYMXCHXYGRT-UHFFFAOYSA-N 0 3 304.397 3.399 20 30 DGEDHN C[C@@H](NCCCCC#N)c1nc(Br)ccc1F ZINC000788588955 625222144 /nfs/dbraw/zinc/22/21/44/625222144.db2.gz OWUZQHMEDUMXSG-SECBINFHSA-N 0 3 300.175 3.328 20 30 DGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881122913 625250042 /nfs/dbraw/zinc/25/00/42/625250042.db2.gz NIUMDLVYANCMGA-UHFFFAOYSA-N 0 3 314.433 3.240 20 30 DGEDHN CCN(Cc1ccc(C#N)s1)C[C@@H](O)c1ccc(C)cc1 ZINC000130530851 625867664 /nfs/dbraw/zinc/86/76/64/625867664.db2.gz WBADGXXXOHPNEW-QGZVFWFLSA-N 0 3 300.427 3.484 20 30 DGEDHN C=CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000883185774 625960580 /nfs/dbraw/zinc/96/05/80/625960580.db2.gz DPUPVROXJHDXGS-NVXWUHKLSA-N 0 3 320.389 3.207 20 30 DGEDHN CCCCNC(=O)OC[C@H]1CCCCN1CCC(C)(C)C#N ZINC000796158373 626026937 /nfs/dbraw/zinc/02/69/37/626026937.db2.gz KILALTOURDPVOQ-OAHLLOKOSA-N 0 3 309.454 3.307 20 30 DGEDHN CC[C@@](C)(OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000796648646 626069864 /nfs/dbraw/zinc/06/98/64/626069864.db2.gz DOHLAVOAJUGFLC-MGPLVRAMSA-N 0 3 321.327 3.423 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCC(F)F)c1ccccc1 ZINC000796891236 626093606 /nfs/dbraw/zinc/09/36/06/626093606.db2.gz DSQORANRYVFUPM-CHWSQXEVSA-N 0 3 308.328 3.008 20 30 DGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000797548516 626151949 /nfs/dbraw/zinc/15/19/49/626151949.db2.gz GKDHYAHLNJCJMS-ZDUSSCGKSA-N 0 3 316.744 3.457 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2C2CC2)c1 ZINC000798815833 626247536 /nfs/dbraw/zinc/24/75/36/626247536.db2.gz DIKHHGHVRIJNLY-OAHLLOKOSA-N 0 3 308.337 3.427 20 30 DGEDHN CC(C)[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)C ZINC000798826751 626248399 /nfs/dbraw/zinc/24/83/99/626248399.db2.gz AZJQBQBDWLHQHL-RISCZKNCSA-N 0 3 319.405 3.198 20 30 DGEDHN C=CCCC[C@@H](C)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799175162 626277366 /nfs/dbraw/zinc/27/73/66/626277366.db2.gz YEZZHVYZTYSWRV-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1C#N ZINC000799367280 626296466 /nfs/dbraw/zinc/29/64/66/626296466.db2.gz GMLXWCYYXFPTGS-HNAYVOBHSA-N 0 3 321.424 3.288 20 30 DGEDHN CCCCCCCS(=O)(=O)N(C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000799776456 626328287 /nfs/dbraw/zinc/32/82/87/626328287.db2.gz OTQMVNKCYGXYFD-HOTGVXAUSA-N 0 3 318.527 3.091 20 30 DGEDHN CCCCCCCS(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000799776486 626328370 /nfs/dbraw/zinc/32/83/70/626328370.db2.gz BPCWNTLOUJBKMA-INIZCTEOSA-N 0 3 318.527 3.093 20 30 DGEDHN C=CCCc1ccccc1NC(=S)NC1CCN(C)CC1 ZINC000799900181 626334900 /nfs/dbraw/zinc/33/49/00/626334900.db2.gz HWAVTYPRPLXCSB-UHFFFAOYSA-N 0 3 303.475 3.186 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)N2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000801551843 626409677 /nfs/dbraw/zinc/40/96/77/626409677.db2.gz URFNVMGQAULGCY-QGZVFWFLSA-N 0 3 320.440 3.453 20 30 DGEDHN O=C(OCC#Cc1ccc(Cl)cc1)C1CCN(C2CC2)CC1 ZINC000801874435 626423698 /nfs/dbraw/zinc/42/36/98/626423698.db2.gz QRJXTUKEBQMVKN-UHFFFAOYSA-N 0 3 317.816 3.109 20 30 DGEDHN C[C@@H](C#N)OCCN[C@H](COc1ccccc1)c1ccccc1 ZINC000801937754 626427126 /nfs/dbraw/zinc/42/71/26/626427126.db2.gz VRPDEWBXEDWVOL-QFBILLFUSA-N 0 3 310.397 3.325 20 30 DGEDHN C[C@@H](C#N)OCCN(C)CCOc1ccccc1C(C)(C)C ZINC000801952579 626428120 /nfs/dbraw/zinc/42/81/20/626428120.db2.gz AUYWMHLAYPEZLV-HNNXBMFYSA-N 0 3 304.434 3.223 20 30 DGEDHN C=CCN1CCN(CNC2(c3ccc(F)cc3)CCCC2)C1=O ZINC000839972637 626565701 /nfs/dbraw/zinc/56/57/01/626565701.db2.gz AJLLQQDCNUVNTI-UHFFFAOYSA-N 0 3 317.408 3.066 20 30 DGEDHN C[C@@H](C#N)OCCN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000802740305 626569067 /nfs/dbraw/zinc/56/90/67/626569067.db2.gz JDQUZJVAWAYPJU-BLLLJJGKSA-N 0 3 304.390 3.495 20 30 DGEDHN CC1(C)CC(C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000802797283 626573679 /nfs/dbraw/zinc/57/36/79/626573679.db2.gz TWTCARACTLCBBE-CQSZACIVSA-N 0 3 318.804 3.101 20 30 DGEDHN C=CCC[C@@H](COc1ccccc1)NCc1ccc(C#N)cn1 ZINC000883217465 626612555 /nfs/dbraw/zinc/61/25/55/626612555.db2.gz JGPKJMNEKSCERK-SFHVURJKSA-N 0 3 307.397 3.457 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000883391335 626671361 /nfs/dbraw/zinc/67/13/61/626671361.db2.gz IGEAHQCFJXVQAW-ZIAGYGMSSA-N 0 3 321.417 3.059 20 30 DGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc3c(c1)C=CCCC3)C2 ZINC000884409369 626877031 /nfs/dbraw/zinc/87/70/31/626877031.db2.gz HTLNGIGIPZZJCZ-GNZRSQJKSA-N 0 3 321.424 3.114 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(Cn3cccn3)cc2)cc1 ZINC000809600990 626924729 /nfs/dbraw/zinc/92/47/29/626924729.db2.gz RCIIFYZMHKQZRY-UHFFFAOYSA-N 0 3 301.393 3.203 20 30 DGEDHN C#C[C@H](C)NCc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000809683698 626935516 /nfs/dbraw/zinc/93/55/16/626935516.db2.gz KTFWJKHEXWACMR-AWEZNQCLSA-N 0 3 311.429 3.425 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1ccc(C)s1 ZINC000810527156 627012313 /nfs/dbraw/zinc/01/23/13/627012313.db2.gz IVNZKAQVEAHZAR-CQSZACIVSA-N 0 3 306.431 3.004 20 30 DGEDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(C#N)CCC1 ZINC000886027213 627087339 /nfs/dbraw/zinc/08/73/39/627087339.db2.gz COTDKYXAVOVEJN-MRXNPFEDSA-N 0 3 302.418 3.049 20 30 DGEDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(C#N)CCC1 ZINC000886027213 627087344 /nfs/dbraw/zinc/08/73/44/627087344.db2.gz COTDKYXAVOVEJN-MRXNPFEDSA-N 0 3 302.418 3.049 20 30 DGEDHN Cc1csc(C2(NC[C@@H](O)CC3(C#N)CCC3)CCCC2)n1 ZINC000886072336 627098648 /nfs/dbraw/zinc/09/86/48/627098648.db2.gz DKJPGWDAMRLNNA-AWEZNQCLSA-N 0 3 319.474 3.255 20 30 DGEDHN N#CC1(C[C@H](O)CNC2(c3ccc(F)cc3F)CCC2)CCC1 ZINC000886111954 627106938 /nfs/dbraw/zinc/10/69/38/627106938.db2.gz LUZMHIICKNHPSX-AWEZNQCLSA-N 0 3 320.383 3.378 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000886355894 627142169 /nfs/dbraw/zinc/14/21/69/627142169.db2.gz PGQAEJDWPGVBCN-UONOGXRCSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000886361623 627143004 /nfs/dbraw/zinc/14/30/04/627143004.db2.gz OZKXWKJCXIYXJJ-ARFHVFGLSA-N 0 3 316.470 3.145 20 30 DGEDHN C#CC[C@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000886365867 627143709 /nfs/dbraw/zinc/14/37/09/627143709.db2.gz RKTLPPGOHCFDNA-NSHDSACASA-N 0 3 319.202 3.436 20 30 DGEDHN C#CCN(C(=O)CC[C@@H]1CCc2ccccc21)C1CCN(C)CC1 ZINC000886572169 627166094 /nfs/dbraw/zinc/16/60/94/627166094.db2.gz ARJDPRAGQHTXOT-SFHVURJKSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN(C(=O)c1ccc2sccc2c1)C1CCN(C)CC1 ZINC000886579620 627167105 /nfs/dbraw/zinc/16/71/05/627167105.db2.gz BPOFKPHRYWEKQY-UHFFFAOYSA-N 0 3 312.438 3.071 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CCCc2ccccc21)C1CCN(C)CC1 ZINC000886582276 627167504 /nfs/dbraw/zinc/16/75/04/627167504.db2.gz NGVKUDBWVIHICW-GOSISDBHSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN(C(=O)c1cc(CCC)c(C)s1)C1CCN(C)CC1 ZINC000886587384 627168182 /nfs/dbraw/zinc/16/81/82/627168182.db2.gz UJKQEVZZGZRYNY-UHFFFAOYSA-N 0 3 318.486 3.179 20 30 DGEDHN OC[C@]12CCC[C@H]1N(CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000886628408 627176499 /nfs/dbraw/zinc/17/64/99/627176499.db2.gz PPXVHYHMJPTZSU-IAGOWNOFSA-N 0 3 323.358 3.294 20 30 DGEDHN C[C@@H](NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(C#N)cc1F ZINC000886763636 627201343 /nfs/dbraw/zinc/20/13/43/627201343.db2.gz AROAGBPDZPSWRV-ACXGAUJLSA-N 0 3 318.392 3.075 20 30 DGEDHN C=CCC1(O)CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000886778849 627203845 /nfs/dbraw/zinc/20/38/45/627203845.db2.gz XQIKATZYGRNBCM-UHFFFAOYSA-N 0 3 301.430 3.303 20 30 DGEDHN CC(C)c1ccc([C@@H](C)NN=Cc2cnc(N(C)C)n2C)cc1 ZINC000811638789 627297828 /nfs/dbraw/zinc/29/78/28/627297828.db2.gz ADXHPAVTRWWMLY-CQSZACIVSA-N 0 3 313.449 3.294 20 30 DGEDHN C=C(C)CNN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000811651299 627300238 /nfs/dbraw/zinc/30/02/38/627300238.db2.gz QDBCBDAVNVUAPR-UHFFFAOYSA-N 0 3 301.434 3.181 20 30 DGEDHN CC[C@H](O)CNN=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000811656843 627300723 /nfs/dbraw/zinc/30/07/23/627300723.db2.gz XKXCGLUJEUMFKB-SFHVURJKSA-N 0 3 303.450 3.152 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1CCC)c1ccc(Cl)cc1 ZINC000811947694 627339719 /nfs/dbraw/zinc/33/97/19/627339719.db2.gz MJVNIKGRWREVQX-HZPDHXFCSA-N 0 3 304.821 3.005 20 30 DGEDHN C=C1CCC(C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000887900323 627340393 /nfs/dbraw/zinc/34/03/93/627340393.db2.gz ODYMAJVXAKMWFP-UHFFFAOYSA-N 0 3 316.445 3.449 20 30 DGEDHN C#C[C@H](NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)C(C)(C)C ZINC000812350600 627373964 /nfs/dbraw/zinc/37/39/64/627373964.db2.gz SRFPNSWFDQBUFX-LZWOXQAQSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCCCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000812494067 627392560 /nfs/dbraw/zinc/39/25/60/627392560.db2.gz CITDTNFDPWNAJL-KRWDZBQOSA-N 0 3 305.466 3.169 20 30 DGEDHN C[C@H](NCc1ccc2cnn(C)c2c1)c1ccc(OCC#N)cc1 ZINC000812734398 627413828 /nfs/dbraw/zinc/41/38/28/627413828.db2.gz IKSJGLLVXZMAEE-AWEZNQCLSA-N 0 3 320.396 3.326 20 30 DGEDHN C#C[C@H](N[C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1)c1ccc(F)cc1 ZINC000812795252 627421302 /nfs/dbraw/zinc/42/13/02/627421302.db2.gz PCOFULCZZBWDMY-PILAGYSTSA-N 0 3 317.404 3.458 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813060445 627444231 /nfs/dbraw/zinc/44/42/31/627444231.db2.gz ZMQIWHJMWCCTJT-MRXNPFEDSA-N 0 3 311.385 3.370 20 30 DGEDHN N#CC(C(=O)CCCC1CC1)C(=O)NCc1cccc(Cl)c1 ZINC000813089612 627447619 /nfs/dbraw/zinc/44/76/19/627447619.db2.gz VNFOYFGFTMPQGO-OAHLLOKOSA-N 0 3 318.804 3.245 20 30 DGEDHN CC[C@H](C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218873 627468624 /nfs/dbraw/zinc/46/86/24/627468624.db2.gz UHPQHGYQTOBHDS-GXSJLCMTSA-N 0 3 300.280 3.092 20 30 DGEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813217501 627468678 /nfs/dbraw/zinc/46/86/78/627468678.db2.gz HLFSNJNDKQXFEG-NQBHXWOUSA-N 0 3 312.291 3.234 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000813854582 627516412 /nfs/dbraw/zinc/51/64/12/627516412.db2.gz BIAVDKTUYZSLHA-CQSZACIVSA-N 0 3 307.397 3.111 20 30 DGEDHN Cc1[nH]c2ccccc2c1C1=CCN(CCOCCC#N)CC1 ZINC000815070383 627622325 /nfs/dbraw/zinc/62/23/25/627622325.db2.gz VEXZVCDRKRGPQG-UHFFFAOYSA-N 0 3 309.413 3.496 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000815118207 627630205 /nfs/dbraw/zinc/63/02/05/627630205.db2.gz LPZHVTXVWQTPFX-QGZVFWFLSA-N 0 3 324.465 3.102 20 30 DGEDHN COc1cc2c(cc1CN[C@H](C)CC(C)(C)C#N)O[C@H](C)C2 ZINC000924630876 627660107 /nfs/dbraw/zinc/66/01/07/627660107.db2.gz JKUJNISEBBGWTG-CHWSQXEVSA-N 0 3 302.418 3.437 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000925649729 627769914 /nfs/dbraw/zinc/76/99/14/627769914.db2.gz INKZBOVOXIEQQJ-NVXWUHKLSA-N 0 3 313.445 3.096 20 30 DGEDHN Cc1nc(NC(=O)[C@H](N)CCCC#N)sc1-c1ccccc1 ZINC000818064547 627991738 /nfs/dbraw/zinc/99/17/38/627991738.db2.gz IACGKOZWDRTTHZ-CYBMUJFWSA-N 0 3 314.414 3.078 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000818076962 627992170 /nfs/dbraw/zinc/99/21/70/627992170.db2.gz OPKWODAGKCJHOF-MSOLQXFVSA-N 0 3 313.445 3.445 20 30 DGEDHN C#CCN(C)CCCNC(=O)C(C)(C)CCCc1ccccc1 ZINC000818595767 628040993 /nfs/dbraw/zinc/04/09/93/628040993.db2.gz NBFXUPMARIBZRZ-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)c1c(F)cccc1F ZINC000819271119 628124176 /nfs/dbraw/zinc/12/41/76/628124176.db2.gz NUHZAQXVXIAEFH-SJORKVTESA-N 0 3 314.335 3.147 20 30 DGEDHN N#CCCc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000928404123 628148868 /nfs/dbraw/zinc/14/88/68/628148868.db2.gz HWZYNEHPTNPXRD-SFHVURJKSA-N 0 3 311.429 3.488 20 30 DGEDHN C#CCN(CC)Cc1ccnc2c(Br)cccc12 ZINC000823419044 628559306 /nfs/dbraw/zinc/55/93/06/628559306.db2.gz PEQVABALEJUIQZ-UHFFFAOYSA-N 0 3 303.203 3.452 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000825046139 628720400 /nfs/dbraw/zinc/72/04/00/628720400.db2.gz GBUAHZZPTJXXOM-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C#C[C@@H](NCc1c(Cl)ccc2cccnc21)C1CCOCC1 ZINC000827566681 628971215 /nfs/dbraw/zinc/97/12/15/628971215.db2.gz YNBAJKXYXJWFCB-QGZVFWFLSA-N 0 3 314.816 3.406 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000829773476 629190173 /nfs/dbraw/zinc/19/01/73/629190173.db2.gz FHRNHAIHVPAGBM-GJZGRUSLSA-N 0 3 318.848 3.080 20 30 DGEDHN C#CC[C@@H]1CCCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000829778858 629191652 /nfs/dbraw/zinc/19/16/52/629191652.db2.gz JAYDUCQBBZKICA-CJNGLKHVSA-N 0 3 311.347 3.474 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000829789376 629192843 /nfs/dbraw/zinc/19/28/43/629192843.db2.gz UEBUBHLNZVEJEX-ZDUSSCGKSA-N 0 3 312.335 3.258 20 30 DGEDHN C#CCNC(=O)CCN1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000831986789 629433578 /nfs/dbraw/zinc/43/35/78/629433578.db2.gz RJEPZBPQCPXAMS-INIZCTEOSA-N 0 3 304.821 3.007 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)C)cc1 ZINC000835065232 629842618 /nfs/dbraw/zinc/84/26/18/629842618.db2.gz NSWFETQBMBAVDP-OAHLLOKOSA-N 0 3 302.374 3.169 20 30 DGEDHN CC(C)CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835338824 629910195 /nfs/dbraw/zinc/91/01/95/629910195.db2.gz CGRUKMLYDOXZNG-CYBMUJFWSA-N 0 3 322.355 3.116 20 30 DGEDHN CN(CCOC(=O)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000837468511 630262823 /nfs/dbraw/zinc/26/28/23/630262823.db2.gz YGXIMPODPYQPFT-UHFFFAOYSA-N 0 3 300.402 3.136 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC23CCOCC3)c([O-])c1 ZINC000840709899 630350701 /nfs/dbraw/zinc/35/07/01/630350701.db2.gz OTRDFUCRBCMKSC-MCRQTXEHSA-N 0 3 302.418 3.226 20 30 DGEDHN CN(CCSc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368416 630721941 /nfs/dbraw/zinc/72/19/41/630721941.db2.gz DXXRBJNUJHKRBQ-GOSISDBHSA-N 0 3 312.438 3.316 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000845735530 631193029 /nfs/dbraw/zinc/19/30/29/631193029.db2.gz JYRRDEHBQBQALI-IAGOWNOFSA-N 0 3 314.429 3.490 20 30 DGEDHN C=CCOc1cccc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000846006747 631205465 /nfs/dbraw/zinc/20/54/65/631205465.db2.gz LGADYDFMPCGEEV-FQEVSTJZSA-N 0 3 322.408 3.288 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(CC(NCC3(C#N)CCCC3)C2)C1 ZINC000846009661 631205808 /nfs/dbraw/zinc/20/58/08/631205808.db2.gz AGNYZOOFAFNPRU-UHFFFAOYSA-N 0 3 319.449 3.059 20 30 DGEDHN C#C[C@H]1CCCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000847022698 631383421 /nfs/dbraw/zinc/38/34/21/631383421.db2.gz JFSGRRIHJOVABR-MSOLQXFVSA-N 0 3 312.457 3.157 20 30 DGEDHN C#C[C@H]1CCCN(Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000847022401 631384133 /nfs/dbraw/zinc/38/41/33/631384133.db2.gz HIOXLHLAJFODQT-INIZCTEOSA-N 0 3 322.408 3.055 20 30 DGEDHN N#Cc1ccc(C2(NC[C@@H]3CC4(CCC4)C(=O)O3)CCC2)cc1 ZINC000847056654 631393483 /nfs/dbraw/zinc/39/34/83/631393483.db2.gz FSVGIDKJKNNFPK-INIZCTEOSA-N 0 3 310.397 3.013 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000847737011 631527964 /nfs/dbraw/zinc/52/79/64/631527964.db2.gz QCECXOCGECBBDH-RHSMWYFYSA-N 0 3 314.429 3.153 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000847737012 631528491 /nfs/dbraw/zinc/52/84/91/631528491.db2.gz QCECXOCGECBBDH-WMLDXEAASA-N 0 3 314.429 3.153 20 30 DGEDHN C[C@H](COC(=O)C1(c2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000847960664 631586269 /nfs/dbraw/zinc/58/62/69/631586269.db2.gz ADTBOTZQYQRDJV-OAHLLOKOSA-N 0 3 312.413 3.007 20 30 DGEDHN c1cc2ncnc(N=NC3CCCN4CCCC[C@@H]34)c2s1 ZINC000848407141 631655923 /nfs/dbraw/zinc/65/59/23/631655923.db2.gz MEJGNVWLGZEMHN-ZDUSSCGKSA-N 0 3 301.419 3.108 20 30 DGEDHN COC(=O)c1cccc(N=NC2CCCN3CCCC[C@H]23)c1F ZINC000848412163 631656345 /nfs/dbraw/zinc/65/63/45/631656345.db2.gz KKFFCTXBOVEFML-OAHLLOKOSA-N 0 3 319.380 3.029 20 30 DGEDHN C#CCOc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000108185770 631823236 /nfs/dbraw/zinc/82/32/36/631823236.db2.gz WULPZCSDLOUTTO-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN COc1ccc([C@H](NCCO[C@H](C)C#N)c2ccccc2)cc1 ZINC000849318855 631889465 /nfs/dbraw/zinc/88/94/65/631889465.db2.gz YFZZBKNKJIKAAH-DNVCBOLYSA-N 0 3 310.397 3.303 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1F ZINC000109038602 632023975 /nfs/dbraw/zinc/02/39/75/632023975.db2.gz XHNSJFNQTPXRAL-IUODEOHRSA-N 0 3 316.376 3.087 20 30 DGEDHN C=CCOc1cccc(CNC[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850377262 632131046 /nfs/dbraw/zinc/13/10/46/632131046.db2.gz DTZSFGABYGSWBS-CVEARBPZSA-N 0 3 309.356 3.155 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850419141 632146739 /nfs/dbraw/zinc/14/67/39/632146739.db2.gz BWVJFOQIPBYUNC-OXQOHEQNSA-N 0 3 309.409 3.300 20 30 DGEDHN C=CCC1(NC(=O)NC[C@@H]2NCCc3ccccc32)CCCC1 ZINC000851668417 632467925 /nfs/dbraw/zinc/46/79/25/632467925.db2.gz SBXWIQRRBXUQJJ-KRWDZBQOSA-N 0 3 313.445 3.062 20 30 DGEDHN C=CCN(CC[C@@H]1COC(C)(C)O1)Cc1cccc([N+](=O)[O-])c1 ZINC000851738758 632480595 /nfs/dbraw/zinc/48/05/95/632480595.db2.gz QMYFGMGMBNTPMB-MRXNPFEDSA-N 0 3 320.389 3.124 20 30 DGEDHN CC(C)CN(CCC#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851778731 632490484 /nfs/dbraw/zinc/49/04/84/632490484.db2.gz MDPHTXPGJUKDFX-INIZCTEOSA-N 0 3 307.482 3.143 20 30 DGEDHN C#CCOCCN[C@H](COCc1ccccc1)c1ccccc1 ZINC000851904474 632519173 /nfs/dbraw/zinc/51/91/73/632519173.db2.gz XZFTUFLPODCQRT-HXUWFJFHSA-N 0 3 309.409 3.184 20 30 DGEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000852100559 632554059 /nfs/dbraw/zinc/55/40/59/632554059.db2.gz XXPYJEKRYYJESF-QFBILLFUSA-N 0 3 300.446 3.204 20 30 DGEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000852099244 632554244 /nfs/dbraw/zinc/55/42/44/632554244.db2.gz HSKAWRDHEHIWEU-IIYDPXPESA-N 0 3 306.837 3.297 20 30 DGEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000852103092 632555173 /nfs/dbraw/zinc/55/51/73/632555173.db2.gz XJNKUGCCRUFMPM-BIENJYKASA-N 0 3 312.413 3.390 20 30 DGEDHN C=CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000852356833 632594423 /nfs/dbraw/zinc/59/44/23/632594423.db2.gz PJVLNSPIOWRXPD-XHDPSFHLSA-N 0 3 301.789 3.035 20 30 DGEDHN C#CCCCCC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000184844096 660190974 /nfs/dbraw/zinc/19/09/74/660190974.db2.gz WBGDWTFSMJSTCY-LJQANCHMSA-N 0 3 314.473 3.453 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(-c3ccoc3)c2)[C@@H](C)C1 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324.896 3.346 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)CC(C)C)CC1 ZINC001004329716 660543005 /nfs/dbraw/zinc/54/30/05/660543005.db2.gz BFIJMAGFZKXMRF-MRXNPFEDSA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001004514800 660554994 /nfs/dbraw/zinc/55/49/94/660554994.db2.gz KWHTYZULLCWXTA-HUUCEWRRSA-N 0 3 316.848 3.190 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001004576302 660558559 /nfs/dbraw/zinc/55/85/59/660558559.db2.gz FHMXTTRRZGLLNO-HZPDHXFCSA-N 0 3 322.880 3.242 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3(C4CC4)CC3)CC[C@@H]2C1 ZINC000946635920 660560554 /nfs/dbraw/zinc/56/05/54/660560554.db2.gz OHPUUFCJCZZPIC-GASCZTMLSA-N 0 3 322.880 3.100 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001033195582 660583954 /nfs/dbraw/zinc/58/39/54/660583954.db2.gz VPSMTYHHNACGNC-HKUYNNGSSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)cc(OC)c2C)C1 ZINC001033236407 660595605 /nfs/dbraw/zinc/59/56/05/660595605.db2.gz DEYHYDVUYUPKRS-INIZCTEOSA-N 0 3 316.445 3.034 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)nc2C(C)C)C1 ZINC001033313837 660607575 /nfs/dbraw/zinc/60/75/75/660607575.db2.gz ZWAJXUVODRQVHP-INIZCTEOSA-N 0 3 315.461 3.236 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2nc3ccccc3cc2C)C1 ZINC001033280533 660603707 /nfs/dbraw/zinc/60/37/07/660603707.db2.gz VWBQTENWPNZUFZ-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2csc3ccccc32)C1 ZINC001033301616 660605689 /nfs/dbraw/zinc/60/56/89/660605689.db2.gz XNJCCWVFYFSHPU-CQSZACIVSA-N 0 3 312.438 3.071 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2coc3cc(C)c(C)cc32)C1 ZINC001033298917 660605742 /nfs/dbraw/zinc/60/57/42/660605742.db2.gz ONWZJYQHHFPCLK-INIZCTEOSA-N 0 3 324.424 3.219 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001033474456 660627687 /nfs/dbraw/zinc/62/76/87/660627687.db2.gz HTFBECBVCXENOB-FCEWJHQRSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2C)C1 ZINC001033510121 660629831 /nfs/dbraw/zinc/62/98/31/660629831.db2.gz VUZXBNKOPZEGBM-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033588716 660635221 /nfs/dbraw/zinc/63/52/21/660635221.db2.gz HPRVZQQLUZSENE-AEFFLSMTSA-N 0 3 300.446 3.207 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3ccccc32)C1 ZINC001033627706 660640141 /nfs/dbraw/zinc/64/01/41/660640141.db2.gz HYGDJQMOOVPUBV-QGZVFWFLSA-N 0 3 306.409 3.009 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2coc3ccc(F)cc32)C1 ZINC001033623605 660640929 /nfs/dbraw/zinc/64/09/29/660640929.db2.gz FPJCZJVWQICIJU-CQSZACIVSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2csc3c2CCCC3)C1 ZINC001033645238 660645755 /nfs/dbraw/zinc/64/57/55/660645755.db2.gz UGTALWNUEDZMHG-CQSZACIVSA-N 0 3 318.486 3.349 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sc(C(C)C)nc2C)C1 ZINC001033656533 660646269 /nfs/dbraw/zinc/64/62/69/660646269.db2.gz QNSQFWBULRIREH-CQSZACIVSA-N 0 3 321.490 3.297 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(CC)oc3ccccc32)C1 ZINC001033689069 660651489 /nfs/dbraw/zinc/65/14/89/660651489.db2.gz WTYKJDRWHQHWEA-OAHLLOKOSA-N 0 3 324.424 3.165 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001033690280 660651593 /nfs/dbraw/zinc/65/15/93/660651593.db2.gz RUPSABVTFIFLQW-OAHLLOKOSA-N 0 3 311.429 3.063 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033725142 660656157 /nfs/dbraw/zinc/65/61/57/660656157.db2.gz VHZHRZOLNPJUQF-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2csc(C)c2C)C1 ZINC001033845915 660669852 /nfs/dbraw/zinc/66/98/52/660669852.db2.gz IWKLAYXPLNBQPN-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC=C(C)C)C2)cc1 ZINC001033922870 660680514 /nfs/dbraw/zinc/68/05/14/660680514.db2.gz MWFUXYSDJYJGMG-IBGZPJMESA-N 0 3 310.441 3.171 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033969017 660686480 /nfs/dbraw/zinc/68/64/80/660686480.db2.gz MWDIDFWVGLAPCL-MRXNPFEDSA-N 0 3 322.811 3.039 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cc([C@H](C)CC)no2)C1 ZINC001033978596 660689372 /nfs/dbraw/zinc/68/93/72/660689372.db2.gz AHDFODQNUKWGDW-CABCVRRESA-N 0 3 319.449 3.301 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc3ccncc3c2)C1 ZINC001034019639 660694347 /nfs/dbraw/zinc/69/43/47/660694347.db2.gz VSCFFTFBOZACRO-LJQANCHMSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034050261 660702450 /nfs/dbraw/zinc/70/24/50/660702450.db2.gz HZHDIGXZXITQGE-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034050801 660702523 /nfs/dbraw/zinc/70/25/23/660702523.db2.gz OVUKOPQIOAVNIN-KRWDZBQOSA-N 0 3 304.409 3.269 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001034222063 660726171 /nfs/dbraw/zinc/72/61/71/660726171.db2.gz ARJLHMABBYRGJI-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001034224080 660726857 /nfs/dbraw/zinc/72/68/57/660726857.db2.gz UEGCHUFBIILQCX-MRXNPFEDSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2oc(C(F)F)cc2C)CC1 ZINC001005534456 660731855 /nfs/dbraw/zinc/73/18/55/660731855.db2.gz ZOMHBIQMBZLMMI-UHFFFAOYSA-N 0 3 312.360 3.248 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001034295189 660733322 /nfs/dbraw/zinc/73/33/22/660733322.db2.gz ADXKRECCSHNJIP-OAHLLOKOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001034305654 660734704 /nfs/dbraw/zinc/73/47/04/660734704.db2.gz CMUPDNHAVRMGQI-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001034306573 660735024 /nfs/dbraw/zinc/73/50/24/660735024.db2.gz NWGJHORIGYFOEI-INIZCTEOSA-N 0 3 322.399 3.323 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001034305655 660735048 /nfs/dbraw/zinc/73/50/48/660735048.db2.gz CMUPDNHAVRMGQI-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001034309160 660735331 /nfs/dbraw/zinc/73/53/31/660735331.db2.gz IWEVVALTUKKXDA-KGLIPLIRSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001034326487 660737094 /nfs/dbraw/zinc/73/70/94/660737094.db2.gz JMYBPCIKKDCLBI-XWTMOSNGSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001034332522 660738309 /nfs/dbraw/zinc/73/83/09/660738309.db2.gz IYHPZLKICAKSHO-JTQLQIEISA-N 0 3 316.232 3.092 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001034367064 660744441 /nfs/dbraw/zinc/74/44/41/660744441.db2.gz CLZZJNCULLSCQK-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC001034367066 660744517 /nfs/dbraw/zinc/74/45/17/660744517.db2.gz CLZZJNCULLSCQK-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001034366863 660744696 /nfs/dbraw/zinc/74/46/96/660744696.db2.gz BIZOGABMRYZZOT-QGZVFWFLSA-N 0 3 311.429 3.328 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034395183 660747545 /nfs/dbraw/zinc/74/75/45/660747545.db2.gz UILBGLZHTYBYGT-ZBFHGGJFSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001034431102 660752642 /nfs/dbraw/zinc/75/26/42/660752642.db2.gz FYMBYDMRBQABNH-LBPRGKRZSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001034413079 660750322 /nfs/dbraw/zinc/75/03/22/660750322.db2.gz FNWNPJRPILAMAB-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001034418352 660751127 /nfs/dbraw/zinc/75/11/27/660751127.db2.gz TZTYAHSYHMJMPA-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001034421403 660751741 /nfs/dbraw/zinc/75/17/41/660751741.db2.gz UMDVGQIKPYGQIW-SFHVURJKSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001034507443 660763512 /nfs/dbraw/zinc/76/35/12/660763512.db2.gz JAFJJMHNCRVTMW-NVXWUHKLSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001034514877 660765688 /nfs/dbraw/zinc/76/56/88/660765688.db2.gz NKSTZKCFAGRUNU-OAHLLOKOSA-N 0 3 318.486 3.397 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC001034533874 660767606 /nfs/dbraw/zinc/76/76/06/660767606.db2.gz ZTTFJOGWHHUBKX-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001034543467 660770904 /nfs/dbraw/zinc/77/09/04/660770904.db2.gz IHKDRXHUOKULMQ-KRWDZBQOSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001034544986 660771432 /nfs/dbraw/zinc/77/14/32/660771432.db2.gz RLINAKGBECUGPX-HNNXBMFYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001034545644 660772285 /nfs/dbraw/zinc/77/22/85/660772285.db2.gz YPYQCNKPTIEXTM-MRXNPFEDSA-N 0 3 312.457 3.254 20 30 DGEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001034623245 660778031 /nfs/dbraw/zinc/77/80/31/660778031.db2.gz ABMQIMCESSCXNV-WGSAOQKQSA-N 0 3 323.440 3.186 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC001005628263 660783588 /nfs/dbraw/zinc/78/35/88/660783588.db2.gz HJNAMAJCQWVVIE-SVFBPWRDSA-N 0 3 324.468 3.071 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C2CC2)cc1C ZINC000175058324 660793168 /nfs/dbraw/zinc/79/31/68/660793168.db2.gz MKULANYLCHVTRX-INIZCTEOSA-N 0 3 313.445 3.280 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001045604818 660795560 /nfs/dbraw/zinc/79/55/60/660795560.db2.gz AEBGOXOMTPGTJJ-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)s1)CC2 ZINC001035638662 660842716 /nfs/dbraw/zinc/84/27/16/660842716.db2.gz VEWKXLOUOIFRGG-UHFFFAOYSA-N 0 3 304.459 3.171 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cscc1C)CC2 ZINC001035679630 660844339 /nfs/dbraw/zinc/84/43/39/660844339.db2.gz WEZIESZTAQMIGK-UHFFFAOYSA-N 0 3 304.459 3.171 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1sccc1F)CC2 ZINC001035696494 660845221 /nfs/dbraw/zinc/84/52/21/660845221.db2.gz HQMAXEGLOSCUHO-UHFFFAOYSA-N 0 3 308.422 3.001 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC001035722990 660847250 /nfs/dbraw/zinc/84/72/50/660847250.db2.gz CEQBTXPTUIBVQW-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC001035782001 660851313 /nfs/dbraw/zinc/85/13/13/660851313.db2.gz MGYWPTJQKJWRBY-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035785022 660851805 /nfs/dbraw/zinc/85/18/05/660851805.db2.gz NFGVNILMQHSZAX-SFHVURJKSA-N 0 3 304.478 3.479 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)c1cccc(C)c1)CC2 ZINC001035808744 660855238 /nfs/dbraw/zinc/85/52/38/660855238.db2.gz XQVAGCKEKGMUGQ-SFHVURJKSA-N 0 3 324.468 3.046 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccccc1)CC2 ZINC001035837638 660857372 /nfs/dbraw/zinc/85/73/72/660857372.db2.gz AXQRFGKPPCDSIR-KRWDZBQOSA-N 0 3 312.457 3.291 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2nccs2)[C@@H](C)C1 ZINC001036133658 660879258 /nfs/dbraw/zinc/87/92/58/660879258.db2.gz CEUKDSYLQPWUSU-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN CCCC(=O)N1CCC[C@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001036334342 660896918 /nfs/dbraw/zinc/89/69/18/660896918.db2.gz DXROJPORTZEXFR-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036627101 660937285 /nfs/dbraw/zinc/93/72/85/660937285.db2.gz HQDHTRONBCEPIJ-VQTJNVASSA-N 0 3 324.468 3.007 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001005888532 660946929 /nfs/dbraw/zinc/94/69/29/660946929.db2.gz WCMZSAWJMLQOQU-CHWSQXEVSA-N 0 3 318.383 3.074 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(F)ccc(C)c2F)CC1 ZINC001005935648 660951122 /nfs/dbraw/zinc/95/11/22/660951122.db2.gz YVXWRAMWEVIAOV-UHFFFAOYSA-N 0 3 322.399 3.386 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc3ccccn3c2)CC1 ZINC001006083811 660962596 /nfs/dbraw/zinc/96/25/96/660962596.db2.gz TZQCDHZSHZEYEA-UHFFFAOYSA-N 0 3 311.429 3.052 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(CC)CC)no2)CC1 ZINC001006102775 660963902 /nfs/dbraw/zinc/96/39/02/660963902.db2.gz DVOKLGKMTBXTPH-UHFFFAOYSA-N 0 3 319.449 3.301 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CCCCC[C@@H]1CCO ZINC000792929039 660994694 /nfs/dbraw/zinc/99/46/94/660994694.db2.gz VEGHJZOIGUQDKR-MRXNPFEDSA-N 0 3 322.836 3.369 20 30 DGEDHN COc1ccc(N=NC2C[C@@H](C)N(C)C2)c(C(F)(F)F)c1 ZINC000793099755 661004706 /nfs/dbraw/zinc/00/47/06/661004706.db2.gz WBIIKLOYHWXZHL-SECBINFHSA-N 0 3 301.312 3.206 20 30 DGEDHN CC1(C)[C@@H](NCc2ccc(C#N)cn2)C[C@@H]1Oc1ccccc1 ZINC000793558936 661045787 /nfs/dbraw/zinc/04/57/87/661045787.db2.gz WQERRYWMFNTNHM-ROUUACIJSA-N 0 3 307.397 3.289 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCC(C)(C)C(=O)OC)c([O-])c1 ZINC000794682911 661098665 /nfs/dbraw/zinc/09/86/65/661098665.db2.gz ZZUVGFLVYLSHLV-CPNJWEJPSA-N 0 3 320.433 3.247 20 30 DGEDHN CC[NH+](CC)[C@H](C)C/N=C\c1cc(Br)ccc1[O-] ZINC000794834768 661108047 /nfs/dbraw/zinc/10/80/47/661108047.db2.gz UGLKXKDJWNJHGF-FFCYNSPCSA-N 0 3 313.239 3.304 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001020393982 655525468 /nfs/dbraw/zinc/52/54/68/655525468.db2.gz UPNJANRHTSIUHC-ULQDDVLXSA-N 0 3 318.848 3.170 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC000969121895 655525514 /nfs/dbraw/zinc/52/55/14/655525514.db2.gz QEYMLXHKJJWHFU-KRWDZBQOSA-N 0 3 316.420 3.132 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000969126869 655526462 /nfs/dbraw/zinc/52/64/62/655526462.db2.gz OTNWICWPBPFICW-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC000969139301 655527460 /nfs/dbraw/zinc/52/74/60/655527460.db2.gz LIYKPBDIWHXDCG-MRXNPFEDSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC000969151426 655528333 /nfs/dbraw/zinc/52/83/33/655528333.db2.gz ZEZXUCCWXRWBJM-INIZCTEOSA-N 0 3 303.450 3.229 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC000969160768 655529572 /nfs/dbraw/zinc/52/95/72/655529572.db2.gz LIQNLTBZCDMORX-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cc(F)cc(F)c3)C2)C1 ZINC000969877342 655561886 /nfs/dbraw/zinc/56/18/86/655561886.db2.gz DUJBZMGPMOBFCI-MRXNPFEDSA-N 0 3 320.383 3.012 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001020630819 655562666 /nfs/dbraw/zinc/56/26/66/655562666.db2.gz BLIKNSLXELRRLM-MGCOHNPYSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC000969981150 655566644 /nfs/dbraw/zinc/56/66/44/655566644.db2.gz NCQZGLVCBFBOPD-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001020758798 655574448 /nfs/dbraw/zinc/57/44/48/655574448.db2.gz CVCUNLOFXRLQKV-JQFCIGGWSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001020833579 655577412 /nfs/dbraw/zinc/57/74/12/655577412.db2.gz LXLNYHCRURUGPH-HDJSIYSDSA-N 0 3 321.852 3.206 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000970157252 655582390 /nfs/dbraw/zinc/58/23/90/655582390.db2.gz KWGISAXDDWCYMJ-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651917 655585262 /nfs/dbraw/zinc/58/52/62/655585262.db2.gz NQMAJRZFSOJUSA-KXBFYZLASA-N 0 3 323.440 3.251 20 30 DGEDHN N#CCCCN1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932810770 655611622 /nfs/dbraw/zinc/61/16/22/655611622.db2.gz FRFJDJWXXCTYHJ-OAHLLOKOSA-N 0 3 323.234 3.036 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC000970486700 655602259 /nfs/dbraw/zinc/60/22/59/655602259.db2.gz QBJWLEZGXBWVFG-NSHDSACASA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC000970558947 655606199 /nfs/dbraw/zinc/60/61/99/655606199.db2.gz TXTHZKRTAJFMLG-NUEKZKHPSA-N 0 3 318.486 3.173 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC000970690369 655613148 /nfs/dbraw/zinc/61/31/48/655613148.db2.gz NSNIPZHWUQZPJT-OAHLLOKOSA-N 0 3 300.446 3.436 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCC2CCCC2)C1 ZINC001039206702 655614561 /nfs/dbraw/zinc/61/45/61/655614561.db2.gz OYOXQRRQZMVRMO-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC000970737094 655615457 /nfs/dbraw/zinc/61/54/57/655615457.db2.gz KHTBJYXCBWZOJZ-LBPRGKRZSA-N 0 3 304.459 3.252 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000970752745 655617182 /nfs/dbraw/zinc/61/71/82/655617182.db2.gz WEGYBMTZEAOZDE-HNNXBMFYSA-N 0 3 310.441 3.272 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3ccccc3c2)C1 ZINC000970791007 655620857 /nfs/dbraw/zinc/62/08/57/655620857.db2.gz HXCAIMWRDRYJDV-OAHLLOKOSA-N 0 3 308.425 3.466 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CCCCCC2)C1 ZINC001021541115 655626539 /nfs/dbraw/zinc/62/65/39/655626539.db2.gz JQWFDLNBVVZSHK-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(CCC)c(C)s2)C1 ZINC000970850543 655629593 /nfs/dbraw/zinc/62/95/93/655629593.db2.gz CPCOUIBDCAEUBD-ZDUSSCGKSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001021556767 655631235 /nfs/dbraw/zinc/63/12/35/655631235.db2.gz BBINLZCZRCBZAL-RBUKOAKNSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001021556766 655631428 /nfs/dbraw/zinc/63/14/28/655631428.db2.gz BBINLZCZRCBZAL-OALUTQOASA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2(C)CCCC2)C1 ZINC001021577463 655635820 /nfs/dbraw/zinc/63/58/20/655635820.db2.gz GUJFJKJNNYXHJS-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2sccc2C(C)C)C1 ZINC000970925845 655638009 /nfs/dbraw/zinc/63/80/09/655638009.db2.gz RVBPBRRXXHSJIY-ZDUSSCGKSA-N 0 3 306.475 3.498 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2(C)CCCCC2)C1 ZINC001021629714 655645467 /nfs/dbraw/zinc/64/54/67/655645467.db2.gz INWULTCBPUMDBN-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C)c2C)C1 ZINC001021726028 655664634 /nfs/dbraw/zinc/66/46/34/655664634.db2.gz YBDYUQFZNGQKLS-UYAOXDASSA-N 0 3 324.468 3.253 20 30 DGEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000050678944 655673715 /nfs/dbraw/zinc/67/37/15/655673715.db2.gz DQTALQNZPVAOBG-WMLDXEAASA-N 0 3 312.413 3.338 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC000971553814 655704725 /nfs/dbraw/zinc/70/47/25/655704725.db2.gz VEIGKWBNSGOITF-LBPRGKRZSA-N 0 3 312.335 3.096 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001022071660 655707375 /nfs/dbraw/zinc/70/73/75/655707375.db2.gz XHJCCLRJJGBWGC-FTYKPCCVSA-N 0 3 308.809 3.006 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC000971619971 655710482 /nfs/dbraw/zinc/71/04/82/655710482.db2.gz VYDQNXVQCWUPTP-MRXNPFEDSA-N 0 3 312.413 3.002 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000971790084 655726379 /nfs/dbraw/zinc/72/63/79/655726379.db2.gz VOFGJCLJNCWXRD-MJBXVCDLSA-N 0 3 318.383 3.074 20 30 DGEDHN Cc1cccc(CON=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255391724 655727204 /nfs/dbraw/zinc/72/72/04/655727204.db2.gz LPNVYYRSQGCAIS-UHFFFAOYSA-N 0 3 310.397 3.382 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001022841820 655792789 /nfs/dbraw/zinc/79/27/89/655792789.db2.gz ITASSPSIHSJWBR-VVLHAWIVSA-N 0 3 318.848 3.088 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC000972422185 655797403 /nfs/dbraw/zinc/79/74/03/655797403.db2.gz XHQUCVSFDDKDON-CQSZACIVSA-N 0 3 304.434 3.218 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC000972432539 655797783 /nfs/dbraw/zinc/79/77/83/655797783.db2.gz AADLJVINDQWPRW-QZTJIDSGSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC000972489971 655806771 /nfs/dbraw/zinc/80/67/71/655806771.db2.gz UNTFFGBYLLGUBJ-RBUKOAKNSA-N 0 3 314.473 3.282 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2CCCCCCC2)C[C@H]1C ZINC000947535878 655810191 /nfs/dbraw/zinc/81/01/91/655810191.db2.gz BOKIVTSXGKFVKQ-AEFFLSMTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC000972556469 655829756 /nfs/dbraw/zinc/82/97/56/655829756.db2.gz XDURCTGKZVNVCD-CABCVRRESA-N 0 3 304.409 3.038 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001023438529 655833615 /nfs/dbraw/zinc/83/36/15/655833615.db2.gz YYKAPVNEKFHBKR-INIZCTEOSA-N 0 3 312.457 3.059 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001023508635 655838829 /nfs/dbraw/zinc/83/88/29/655838829.db2.gz RDHWBOSDEKJZPN-QGZVFWFLSA-N 0 3 324.468 3.338 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001023570324 655844035 /nfs/dbraw/zinc/84/40/35/655844035.db2.gz BSEDAWJHIUMKPU-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001023621104 655849941 /nfs/dbraw/zinc/84/99/41/655849941.db2.gz HFDWHZBTROMVEN-ZDUSSCGKSA-N 0 3 316.376 3.200 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001038289711 655854648 /nfs/dbraw/zinc/85/46/48/655854648.db2.gz VEDHFANPVKVUKU-QGZVFWFLSA-N 0 3 316.445 3.082 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001023718405 655857124 /nfs/dbraw/zinc/85/71/24/655857124.db2.gz SLVRRBSRRMXIML-QGZVFWFLSA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC001023725868 655857998 /nfs/dbraw/zinc/85/79/98/655857998.db2.gz STFUOGVXAOUBCY-KRWDZBQOSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2sccc2C(F)F)C1 ZINC001023727911 655858289 /nfs/dbraw/zinc/85/82/89/655858289.db2.gz WRVAAJCTTGACQS-NSHDSACASA-N 0 3 314.401 3.314 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001023763493 655862667 /nfs/dbraw/zinc/86/26/67/655862667.db2.gz OXYXXBOZUYIMJY-HNNXBMFYSA-N 0 3 312.413 3.369 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001023763097 655862790 /nfs/dbraw/zinc/86/27/90/655862790.db2.gz CPJQEIYGFQCJJX-SJORKVTESA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001023766981 655863291 /nfs/dbraw/zinc/86/32/91/655863291.db2.gz AWVUHCJZWAOIHZ-INIZCTEOSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000972789508 655882612 /nfs/dbraw/zinc/88/26/12/655882612.db2.gz NZQXTFHXBSOQID-GFCCVEGCSA-N 0 3 313.228 3.326 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C[C@@H]1C ZINC000947602619 655885876 /nfs/dbraw/zinc/88/58/76/655885876.db2.gz MLLXGAGMQOXQJB-DOTOQJQBSA-N 0 3 316.420 3.049 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1sccc1F ZINC001024428148 655905307 /nfs/dbraw/zinc/90/53/07/655905307.db2.gz XRMAITZYYAARCV-CYBMUJFWSA-N 0 3 310.438 3.438 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448560 655906216 /nfs/dbraw/zinc/90/62/16/655906216.db2.gz QUVMGVWTCCIMOL-GVDBMIGSSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1scnc1CC ZINC001024471669 655908514 /nfs/dbraw/zinc/90/85/14/655908514.db2.gz JSOCOXQAZAPGGH-CQSZACIVSA-N 0 3 321.490 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001024490464 655910473 /nfs/dbraw/zinc/91/04/73/655910473.db2.gz NNQRLJWQYCDLQT-SFHVURJKSA-N 0 3 315.461 3.195 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530649 655913479 /nfs/dbraw/zinc/91/34/79/655913479.db2.gz IBPRCENFNUJALL-INIZCTEOSA-N 0 3 313.445 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001024570193 655918484 /nfs/dbraw/zinc/91/84/84/655918484.db2.gz JMLXBFVNGYENJC-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571737 655918750 /nfs/dbraw/zinc/91/87/50/655918750.db2.gz KNDXLPMWTCTFSU-ZJPYXAASSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(Cl)c1F ZINC001024630605 655925968 /nfs/dbraw/zinc/92/59/68/655925968.db2.gz SURBVPBNAHJQAV-ZDUSSCGKSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001024716339 655932804 /nfs/dbraw/zinc/93/28/04/655932804.db2.gz SGXUNOLZPUYIKN-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001024728580 655933454 /nfs/dbraw/zinc/93/34/54/655933454.db2.gz DCHWWAIDLQNXDU-FHWLQOOXSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2ccncc21 ZINC001024737298 655934450 /nfs/dbraw/zinc/93/44/50/655934450.db2.gz HXUSGOQQIGALPJ-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001024752670 655935804 /nfs/dbraw/zinc/93/58/04/655935804.db2.gz TWNSQZOXDGXKSM-OAHLLOKOSA-N 0 3 318.465 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001024752670 655935806 /nfs/dbraw/zinc/93/58/06/655935806.db2.gz TWNSQZOXDGXKSM-OAHLLOKOSA-N 0 3 318.465 3.002 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001024785035 655938442 /nfs/dbraw/zinc/93/84/42/655938442.db2.gz BGOZOGVAJPKCKN-GOSISDBHSA-N 0 3 320.436 3.447 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785848 655938667 /nfs/dbraw/zinc/93/86/67/655938667.db2.gz RQHSYZKSZFZVEP-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]cc1-c1ccccc1 ZINC001024804655 655940837 /nfs/dbraw/zinc/94/08/37/655940837.db2.gz XJNGJDMRPBWHGU-KRWDZBQOSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001024816253 655942384 /nfs/dbraw/zinc/94/23/84/655942384.db2.gz GJLUIIUELWWDFR-KRWDZBQOSA-N 0 3 304.409 3.317 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001024818967 655943110 /nfs/dbraw/zinc/94/31/10/655943110.db2.gz JBYRMDPSPGOINT-OAHLLOKOSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cncc3sccc32)C[C@H]1C ZINC000947649610 655948532 /nfs/dbraw/zinc/94/85/32/655948532.db2.gz SRTAVLXFSNUMJZ-OLZOCXBDSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cccnc1 ZINC001025070418 655963931 /nfs/dbraw/zinc/96/39/31/655963931.db2.gz YNDFOXTXKKYIMW-MJGOQNOKSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001025190328 655973873 /nfs/dbraw/zinc/97/38/73/655973873.db2.gz AUAXJQXSCPQJGZ-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025194555 655976169 /nfs/dbraw/zinc/97/61/69/655976169.db2.gz DXDPIFUKLGHGQK-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001025194765 655976222 /nfs/dbraw/zinc/97/62/22/655976222.db2.gz FUOBCXDXCZYWOI-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196406 655976830 /nfs/dbraw/zinc/97/68/30/655976830.db2.gz UNXUGSBHAZTPLK-MOPGFXCFSA-N 0 3 310.441 3.087 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C ZINC001025198345 655977647 /nfs/dbraw/zinc/97/76/47/655977647.db2.gz OPPJNTKMQJRBAT-IRXDYDNUSA-N 0 3 314.429 3.070 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC=CCC1 ZINC001018280958 655978360 /nfs/dbraw/zinc/97/83/60/655978360.db2.gz SULOAFSEEVAAKB-HDICACEKSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)sn1 ZINC001025224450 655981335 /nfs/dbraw/zinc/98/13/35/655981335.db2.gz QCPAPOPTCMHWCS-HOTGVXAUSA-N 0 3 319.474 3.097 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001025228685 655981874 /nfs/dbraw/zinc/98/18/74/655981874.db2.gz CDVYUJGJWZNFHR-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C2CC2)CC1 ZINC001025242135 655983803 /nfs/dbraw/zinc/98/38/03/655983803.db2.gz GTLYVZLGWKHDCP-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001025243134 655984466 /nfs/dbraw/zinc/98/44/66/655984466.db2.gz ALPVSNHKUYJWKM-JKSUJKDBSA-N 0 3 308.441 3.300 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CC#CC ZINC001025257676 655984600 /nfs/dbraw/zinc/98/46/00/655984600.db2.gz GBLYRTDAPIPXMZ-ZWKOTPCHSA-N 0 3 316.489 3.458 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001025256192 655985818 /nfs/dbraw/zinc/98/58/18/655985818.db2.gz VEWXUPQBEJIICG-MSOLQXFVSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C=C)cc1 ZINC001025265943 655986508 /nfs/dbraw/zinc/98/65/08/655986508.db2.gz BBGGHCXIDPUQJA-PMACEKPBSA-N 0 3 322.452 3.422 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C(C)C)CC1 ZINC001025268818 655987172 /nfs/dbraw/zinc/98/71/72/655987172.db2.gz GMUALXYYBUSGFA-MSOLQXFVSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CC)CCCC1 ZINC001025285151 655989424 /nfs/dbraw/zinc/98/94/24/655989424.db2.gz SMNCWJSANUVVEQ-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)cc1C ZINC001025294347 655989895 /nfs/dbraw/zinc/98/98/95/655989895.db2.gz ADALPWZYLQCGHX-UXHICEINSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)oc3ccccc32)C1 ZINC001025429955 656010872 /nfs/dbraw/zinc/01/08/72/656010872.db2.gz YRQYZHRKKZNLLL-GDBMZVCRSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC001025440919 656013892 /nfs/dbraw/zinc/01/38/92/656013892.db2.gz ZQZYVAIIPVMLQU-DLBZAZTESA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCCCCCC2)C1 ZINC001025483276 656021812 /nfs/dbraw/zinc/02/18/12/656021812.db2.gz WXGNLTTYFDTUQH-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC001025519794 656026262 /nfs/dbraw/zinc/02/62/62/656026262.db2.gz QDEOFTRYBZCSNC-GDBMZVCRSA-N 0 3 314.429 3.011 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001025520817 656029263 /nfs/dbraw/zinc/02/92/63/656029263.db2.gz AMNCVQGVQLORCG-GOEBONIOSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC001025534104 656031233 /nfs/dbraw/zinc/03/12/33/656031233.db2.gz KBGNAUKISNVCQW-NVXWUHKLSA-N 0 3 323.440 3.022 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCN(CC#CC)C2)cc1 ZINC001025536288 656031593 /nfs/dbraw/zinc/03/15/93/656031593.db2.gz VLHSGEJYRDLMGQ-VQIMIIECSA-N 0 3 310.441 3.183 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)cc2Cl)C1 ZINC001025540227 656032337 /nfs/dbraw/zinc/03/23/37/656032337.db2.gz UAGOTETZHYOKOV-GJZGRUSLSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC001025563968 656037540 /nfs/dbraw/zinc/03/75/40/656037540.db2.gz GVYAWGKDVWTDTJ-LSDHHAIUSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)csc2Cl)C1 ZINC001025605755 656044736 /nfs/dbraw/zinc/04/47/36/656044736.db2.gz BZLHFYFIRPDXMV-STQMWFEESA-N 0 3 324.877 3.173 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC001025615559 656048160 /nfs/dbraw/zinc/04/81/60/656048160.db2.gz WBTQHWVZXKUNCX-ZFWWWQNUSA-N 0 3 316.470 3.089 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001025615540 656048408 /nfs/dbraw/zinc/04/84/08/656048408.db2.gz VWWZSGXLHRNYLQ-DOTOQJQBSA-N 0 3 323.440 3.022 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001025619493 656049755 /nfs/dbraw/zinc/04/97/55/656049755.db2.gz XPNJDGXDWHMTEI-JXFKEZNVSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2sccc2CC)C1 ZINC001025630583 656051753 /nfs/dbraw/zinc/05/17/53/656051753.db2.gz UKOSPKYLHDFQQR-ZBFHGGJFSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC001025630781 656052542 /nfs/dbraw/zinc/05/25/42/656052542.db2.gz VZASFLDMIKZJPL-OXQOHEQNSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025633611 656053103 /nfs/dbraw/zinc/05/31/03/656053103.db2.gz WYQCRHWYRPUKTR-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001038360812 656100809 /nfs/dbraw/zinc/10/08/09/656100809.db2.gz SSGPYVZFTGGTAD-KZNAEPCWSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cccc2Cl)C[C@@H]1C ZINC000947693193 656195365 /nfs/dbraw/zinc/19/53/65/656195365.db2.gz IALNQRSLLNEVLQ-LSDHHAIUSA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc3c(o2)CCCC3)C(C)(C)C1 ZINC000974666601 656221022 /nfs/dbraw/zinc/22/10/22/656221022.db2.gz WBSCEMSMFMMOHF-KRWDZBQOSA-N 0 3 316.445 3.175 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(C)c2Cl)C(C)(C)C1 ZINC000974804184 656230862 /nfs/dbraw/zinc/23/08/62/656230862.db2.gz CXLRCFCSKGFHJI-OAHLLOKOSA-N 0 3 320.864 3.204 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C(C)(C)C1 ZINC000974834680 656233575 /nfs/dbraw/zinc/23/35/75/656233575.db2.gz YVWHSBYBSRFOLK-RTBURBONSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C(C)(C)C1 ZINC000974865443 656236399 /nfs/dbraw/zinc/23/63/99/656236399.db2.gz UCHMKITUDBKBRB-GOSISDBHSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001008784603 656249349 /nfs/dbraw/zinc/24/93/49/656249349.db2.gz OHABLURHKRLDBZ-HUUCEWRRSA-N 0 3 319.449 3.349 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C(C)(C)C1 ZINC000975063279 656252840 /nfs/dbraw/zinc/25/28/40/656252840.db2.gz HRCINMNDQORUIM-ULQDDVLXSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C(C)(C)C1 ZINC000975072442 656253794 /nfs/dbraw/zinc/25/37/94/656253794.db2.gz DDHOWQQILIDZAD-HNNXBMFYSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(CC)cc2)C(C)(C)C1 ZINC000975084913 656254965 /nfs/dbraw/zinc/25/49/65/656254965.db2.gz QHJSAGXITZMOKX-SFHVURJKSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3ccccc3c2)C(C)(C)C1 ZINC000975084638 656255385 /nfs/dbraw/zinc/25/53/85/656255385.db2.gz QARHQPZVAQRWKC-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2sccc2COC)C1 ZINC001009197603 656269285 /nfs/dbraw/zinc/26/92/85/656269285.db2.gz WCIIPCOWSLIRME-HNNXBMFYSA-N 0 3 322.474 3.055 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001009304862 656281091 /nfs/dbraw/zinc/28/10/91/656281091.db2.gz KDRHCLHRLJZSEO-GOSISDBHSA-N 0 3 312.457 3.202 20 30 DGEDHN CC[C@@H](C)C(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027305662 656284059 /nfs/dbraw/zinc/28/40/59/656284059.db2.gz QCHFWBIRPMANFU-CRAIPNDOSA-N 0 3 313.445 3.027 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001027364095 656296895 /nfs/dbraw/zinc/29/68/95/656296895.db2.gz UDIFSOISULJLDY-LJQANCHMSA-N 0 3 323.440 3.091 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC001027482836 656314815 /nfs/dbraw/zinc/31/48/15/656314815.db2.gz HJKWYZMTVDHKNW-HNNXBMFYSA-N 0 3 312.438 3.071 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC001027486527 656316379 /nfs/dbraw/zinc/31/63/79/656316379.db2.gz FZOFKVUWXHBCCF-KRWDZBQOSA-N 0 3 324.399 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2coc3cc(C)c(C)cc32)C1 ZINC001027506771 656322763 /nfs/dbraw/zinc/32/27/63/656322763.db2.gz BKLVUSTYGNSKBS-INIZCTEOSA-N 0 3 324.424 3.219 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001027509503 656323710 /nfs/dbraw/zinc/32/37/10/656323710.db2.gz CNCZRDNWBPFMOY-FQEVSTJZSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(C)(C)C1 ZINC000977386531 656325715 /nfs/dbraw/zinc/32/57/15/656325715.db2.gz FNVNZVOAAOQVJB-BZSNNMDCSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C(C)(C)C1 ZINC000977442085 656329810 /nfs/dbraw/zinc/32/98/10/656329810.db2.gz GRAHTXRFSPGKJX-GDBMZVCRSA-N 0 3 318.486 3.010 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)c(CC)o2)C(C)(C)C1 ZINC000977443888 656329869 /nfs/dbraw/zinc/32/98/69/656329869.db2.gz KJHIYYJSLXMNEL-MRXNPFEDSA-N 0 3 304.434 3.167 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)(C)C1 ZINC000977501370 656337062 /nfs/dbraw/zinc/33/70/62/656337062.db2.gz LKXISXJOYYAARX-OAHLLOKOSA-N 0 3 306.837 3.356 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C1 ZINC000977564825 656345418 /nfs/dbraw/zinc/34/54/18/656345418.db2.gz HZBKSEHTQORDTE-KRWDZBQOSA-N 0 3 311.429 3.184 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc3c(s2)CCC3)C(C)(C)C1 ZINC000977567654 656345473 /nfs/dbraw/zinc/34/54/73/656345473.db2.gz PITAWNHENNNPHC-MRXNPFEDSA-N 0 3 318.486 3.253 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)cc2Cl)C(C)(C)C1 ZINC000977580640 656346425 /nfs/dbraw/zinc/34/64/25/656346425.db2.gz BQGMLXNLNJWPBF-OAHLLOKOSA-N 0 3 324.827 3.495 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC001027605980 656373890 /nfs/dbraw/zinc/37/38/90/656373890.db2.gz ZNXCWMMVMLEQEN-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2occ3c2CCCC3)CC1 ZINC001006339991 661256960 /nfs/dbraw/zinc/25/69/60/661256960.db2.gz AIPMHTLPAPASTJ-UHFFFAOYSA-N 0 3 316.445 3.271 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001027644407 656383254 /nfs/dbraw/zinc/38/32/54/656383254.db2.gz CLIGKBILQBAQLF-NVXWUHKLSA-N 0 3 324.424 3.092 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2c(F)cccc2Cl)CC1 ZINC001006339868 661257201 /nfs/dbraw/zinc/25/72/01/661257201.db2.gz YTPNSIZCGNCNRK-UHFFFAOYSA-N 0 3 324.827 3.130 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001027670070 656391778 /nfs/dbraw/zinc/39/17/78/656391778.db2.gz QZEFSCMZVLATLG-ABHNRTSZSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001027694861 656398452 /nfs/dbraw/zinc/39/84/52/656398452.db2.gz JYWYPJYEAMMUSN-LPHOPBHVSA-N 0 3 312.457 3.370 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001052387671 656432528 /nfs/dbraw/zinc/43/25/28/656432528.db2.gz PFHFONZDBVEAMB-ZCNNSNEGSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001052408793 656434220 /nfs/dbraw/zinc/43/42/20/656434220.db2.gz KORXQDHBSBVQBY-ROUUACIJSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C=C3CCC3)C[C@@H]2C1 ZINC000979619198 656438430 /nfs/dbraw/zinc/43/84/30/656438430.db2.gz PTQFTEPYRISSFI-ARFHVFGLSA-N 0 3 308.853 3.066 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H]2CCCc3ccccc32)CC1 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ZINC001049853946 656699407 /nfs/dbraw/zinc/69/94/07/656699407.db2.gz IQOWGLVWVTWIBI-HZPDHXFCSA-N 0 3 304.821 3.205 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)cc1 ZINC001049853945 656699551 /nfs/dbraw/zinc/69/95/51/656699551.db2.gz IQOWGLVWVTWIBI-HOTGVXAUSA-N 0 3 304.821 3.205 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C(F)F)c1 ZINC001049856869 656701560 /nfs/dbraw/zinc/70/15/60/656701560.db2.gz DWSZWYQKGCAXIK-CVEARBPZSA-N 0 3 320.383 3.489 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(F)cccc1Cl ZINC001049861765 656703503 /nfs/dbraw/zinc/70/35/03/656703503.db2.gz FQDUGHKQMQZNGD-CABCVRRESA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(F)cc1Cl ZINC001049870059 656706034 /nfs/dbraw/zinc/70/60/34/656706034.db2.gz HBOACKGREIETCI-HZPDHXFCSA-N 0 3 322.811 3.344 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049875550 656709348 /nfs/dbraw/zinc/70/93/48/656709348.db2.gz LXKLVFSFMAVIGS-OALUTQOASA-N 0 3 310.441 3.006 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001042006869 656710942 /nfs/dbraw/zinc/71/09/42/656710942.db2.gz MPIQXLGQVOADTH-HZPDHXFCSA-N 0 3 302.418 3.009 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)C(F)=C3CCCC3)C[C@@H]21 ZINC001042011654 656712816 /nfs/dbraw/zinc/71/28/16/656712816.db2.gz CGRRBKOZJYFTIH-ZBFHGGJFSA-N 0 3 306.425 3.283 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccccc1C ZINC001049905771 656718018 /nfs/dbraw/zinc/71/80/18/656718018.db2.gz ATOMQENRXCJOSI-YSIASYRMSA-N 0 3 324.468 3.187 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(F)c(C)c1 ZINC001049907093 656718280 /nfs/dbraw/zinc/71/82/80/656718280.db2.gz VJSYHIZWRHDUDM-DLBZAZTESA-N 0 3 316.420 3.307 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C=C)c1ccccc1 ZINC001049912679 656719883 /nfs/dbraw/zinc/71/98/83/656719883.db2.gz NECHVJZTJJVHRT-IPMKNSEASA-N 0 3 310.441 3.208 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@H]21 ZINC001042095238 656721342 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C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(c2ccccc2)C1 ZINC001049926900 656726065 /nfs/dbraw/zinc/72/60/65/656726065.db2.gz SNLDOMPEWHRTMD-NTFDOXNWSA-N 0 3 324.468 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3c(C)oc(C)c3C)C[C@H]21 ZINC001042142835 656726499 /nfs/dbraw/zinc/72/64/99/656726499.db2.gz ROKBHDUMSUBGNE-IAGOWNOFSA-N 0 3 316.445 3.317 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCC(C)(C)CC1 ZINC001049935173 656727437 /nfs/dbraw/zinc/72/74/37/656727437.db2.gz DHDLNASQJQGJRK-QZTJIDSGSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCC(C)(C)CC1 ZINC001049935179 656727950 /nfs/dbraw/zinc/72/79/50/656727950.db2.gz DHDLNASQJQGJRK-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001028105162 656732319 /nfs/dbraw/zinc/73/23/19/656732319.db2.gz OYKMKIQIHOOJMW-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C[C@H]21 ZINC001042200644 656734689 /nfs/dbraw/zinc/73/46/89/656734689.db2.gz HYPHPXBFAINANT-MAUKXSAKSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000981607765 656735182 /nfs/dbraw/zinc/73/51/82/656735182.db2.gz HWLAVSNIYRZTGY-UHFFFAOYSA-N 0 3 322.399 3.277 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]21 ZINC001042206725 656736317 /nfs/dbraw/zinc/73/63/17/656736317.db2.gz NCFDXJRKGIGTHV-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001049971209 656737879 /nfs/dbraw/zinc/73/78/79/656737879.db2.gz JPCTUTPECVZTIF-DOTOQJQBSA-N 0 3 302.418 3.009 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000981623063 656738649 /nfs/dbraw/zinc/73/86/49/656738649.db2.gz MWCOECPDODJHKF-UHFFFAOYSA-N 0 3 306.837 3.372 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042220379 656739424 /nfs/dbraw/zinc/73/94/24/656739424.db2.gz CKDDJXOBTSWBDZ-GXTWGEPZSA-N 0 3 308.809 3.046 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)C[C@H]21 ZINC001042245892 656744739 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Cc1cc(C)nc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000929263319 661292391 /nfs/dbraw/zinc/29/23/91/661292391.db2.gz LERSKIWGQSZXKV-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC001052738848 656757052 /nfs/dbraw/zinc/75/70/52/656757052.db2.gz LZSJNTGVEMLDPZ-MRXNPFEDSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccc(F)cc3F)C[C@H]21 ZINC001042337589 656757196 /nfs/dbraw/zinc/75/71/96/656757196.db2.gz FKCUYVAOGKQNJK-SUMWQHHRSA-N 0 3 320.383 3.077 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C[C@@H]21 ZINC001042339943 656759071 /nfs/dbraw/zinc/75/90/71/656759071.db2.gz CDYRYFWHNARZTB-XLIONFOSSA-N 0 3 324.468 3.288 20 30 DGEDHN C=C(C)CN1CCCC2(CN(C(=O)c3sccc3F)C2)C1 ZINC000981745986 656760642 /nfs/dbraw/zinc/76/06/42/656760642.db2.gz MSFCRYIHHIVMFT-UHFFFAOYSA-N 0 3 308.422 3.001 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)c(F)c(C)c3)C[C@H]21 ZINC001042359834 656764007 /nfs/dbraw/zinc/76/40/07/656764007.db2.gz 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CC#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC001052868188 656779804 /nfs/dbraw/zinc/77/98/04/656779804.db2.gz RTHNSXOJFKFTOF-FQEVSTJZSA-N 0 3 322.452 3.254 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC001052885647 656781991 /nfs/dbraw/zinc/78/19/91/656781991.db2.gz XNCIYJCTRBVQAV-MOPGFXCFSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@]3(C)CCC[C@@H]3CC)C2)C1 ZINC000981842699 656785034 /nfs/dbraw/zinc/78/50/34/656785034.db2.gz IUTGYQHMXZOJCM-FUHWJXTLSA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC001052901893 656786128 /nfs/dbraw/zinc/78/61/28/656786128.db2.gz VUAQRJKJPRERBA-ZDUSSCGKSA-N 0 3 322.811 3.005 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]3CCC)C2)C1 ZINC000981861081 656789240 /nfs/dbraw/zinc/78/92/40/656789240.db2.gz AJEQWNMTWBEWPD-DLBZAZTESA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cc(CCC)c(C)s2)CC1 ZINC001052923064 656791864 /nfs/dbraw/zinc/79/18/64/656791864.db2.gz 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660142949 /nfs/dbraw/zinc/14/29/49/660142949.db2.gz UZGSITBZLJVANA-NHYWBVRUSA-N 0 3 324.827 3.414 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@@H](C)C1 ZINC000942430641 660152388 /nfs/dbraw/zinc/15/23/88/660152388.db2.gz JKAAXDHWTTUTSG-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](C)C1 ZINC000942580365 660160638 /nfs/dbraw/zinc/16/06/38/660160638.db2.gz YIWUPEKKDLVQLY-MAUKXSAKSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000942594850 660163263 /nfs/dbraw/zinc/16/32/63/660163263.db2.gz PMSPCCMZCODDMA-PBHICJAKSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000942599652 660164151 /nfs/dbraw/zinc/16/41/51/660164151.db2.gz CEENZYCGLQVBEJ-WMLDXEAASA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000948474770 660167644 /nfs/dbraw/zinc/16/76/44/660167644.db2.gz YZFPEGDCHZKHBL-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN 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PKPFMSBPZCRQDU-CZUORRHYSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001080766196 688011421 /nfs/dbraw/zinc/01/14/21/688011421.db2.gz FQCMTPVGQRUBAE-CRAIPNDOSA-N 0 3 323.440 3.308 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001080829705 688016418 /nfs/dbraw/zinc/01/64/18/688016418.db2.gz OHOCJTVSOGCARY-CRAIPNDOSA-N 0 3 312.457 3.058 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001080858340 688018711 /nfs/dbraw/zinc/01/87/11/688018711.db2.gz LKFFVXMRZWOLDR-MLGOLLRUSA-N 0 3 324.827 3.414 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001080934241 688027644 /nfs/dbraw/zinc/02/76/44/688027644.db2.gz IQQOQQLPSNEBMQ-TZMCWYRMSA-N 0 3 321.490 3.201 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001577426854 1191900410 /nfs/dbraw/zinc/90/04/10/1191900410.db2.gz YQKXDNNBHMEMJV-WNRNVDISSA-N 0 3 324.509 3.216 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C)OC2(CCC2)C1 ZINC001577426292 1191900551 /nfs/dbraw/zinc/90/05/51/1191900551.db2.gz KUPDMOJIVVNHAE-CVEARBPZSA-N 0 3 310.482 3.234 20 30 DGEDHN CCOc1ccc(C#N)cc1NC(=O)[C@H](N)C1CCCCCC1 ZINC001578171521 1191929014 /nfs/dbraw/zinc/92/90/14/1191929014.db2.gz KYJCTAVLNFCKRT-QGZVFWFLSA-N 0 3 315.417 3.193 20 30 DGEDHN CCSc1cccc(F)c1NC(=O)[C@@H](N)CCCCC#N ZINC001578220616 1191932600 /nfs/dbraw/zinc/93/26/00/1191932600.db2.gz OXRMJBYZJNKULB-LBPRGKRZSA-N 0 3 309.410 3.287 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](N)CCCCC#N ZINC001579643914 1191984306 /nfs/dbraw/zinc/98/43/06/1191984306.db2.gz XBPWRAYECVZFIA-CABCVRRESA-N 0 3 317.433 3.129 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001580049077 1192004706 /nfs/dbraw/zinc/00/47/06/1192004706.db2.gz GUBVWEKVDCBTDC-SQNIBIBYSA-N 0 3 313.445 3.098 20 30 DGEDHN N#Cc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1C(F)(F)F ZINC001580069993 1192005573 /nfs/dbraw/zinc/00/55/73/1192005573.db2.gz NVGJBJDTQIHMIP-UHFFFAOYSA-N 0 3 323.318 3.177 20 30 DGEDHN Cn1cncc1C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC001620678553 1192063590 /nfs/dbraw/zinc/06/35/90/1192063590.db2.gz BETVRRKOSIFOEY-UHFFFAOYSA-N 0 3 313.832 3.305 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001663331937 1196837699 /nfs/dbraw/zinc/83/76/99/1196837699.db2.gz QVNKRSDXFWPXRB-FUHWJXTLSA-N 0 3 302.462 3.440 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559908 1192450127 /nfs/dbraw/zinc/45/01/27/1192450127.db2.gz LTDKGWOCNUEPKO-CZUORRHYSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559908 1192450130 /nfs/dbraw/zinc/45/01/30/1192450130.db2.gz LTDKGWOCNUEPKO-CZUORRHYSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]Cc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588577938 1192451415 /nfs/dbraw/zinc/45/14/15/1192451415.db2.gz RPSVDSIKXMMXOK-LLVKDONJSA-N 0 3 303.435 3.033 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]Cc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588577938 1192451418 /nfs/dbraw/zinc/45/14/18/1192451418.db2.gz RPSVDSIKXMMXOK-LLVKDONJSA-N 0 3 303.435 3.033 20 30 DGEDHN C=CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588631740 1192451460 /nfs/dbraw/zinc/45/14/60/1192451460.db2.gz BCFZJOSXGJGMBK-AEFFLSMTSA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588631740 1192451462 /nfs/dbraw/zinc/45/14/62/1192451462.db2.gz BCFZJOSXGJGMBK-AEFFLSMTSA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588631740 1192451463 /nfs/dbraw/zinc/45/14/63/1192451463.db2.gz BCFZJOSXGJGMBK-AEFFLSMTSA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588631740 1192451465 /nfs/dbraw/zinc/45/14/65/1192451465.db2.gz BCFZJOSXGJGMBK-AEFFLSMTSA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1)Cc1cccc(F)c1-c1nnn[n-]1 ZINC001588653599 1192452695 /nfs/dbraw/zinc/45/26/95/1192452695.db2.gz OYGHWMVVRDACAT-UHFFFAOYSA-N 0 3 323.375 3.194 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1-c1nnn[n-]1 ZINC001588653599 1192452698 /nfs/dbraw/zinc/45/26/98/1192452698.db2.gz OYGHWMVVRDACAT-UHFFFAOYSA-N 0 3 323.375 3.194 20 30 DGEDHN C[C@H](CC(C)(C)C#N)[NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001589795524 1192475243 /nfs/dbraw/zinc/47/52/43/1192475243.db2.gz MWRROCWGSJMSLR-CYBMUJFWSA-N 0 3 324.432 3.164 20 30 DGEDHN C[C@H](CC(C)(C)C#N)[NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001589795524 1192475244 /nfs/dbraw/zinc/47/52/44/1192475244.db2.gz MWRROCWGSJMSLR-CYBMUJFWSA-N 0 3 324.432 3.164 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2nsnc21 ZINC001620923181 1192611396 /nfs/dbraw/zinc/61/13/96/1192611396.db2.gz YWPSXKRTLUVBEO-OAHLLOKOSA-N 0 3 306.394 3.340 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCN1CCc2ccccc2C1 ZINC001595655209 1192665147 /nfs/dbraw/zinc/66/51/47/1192665147.db2.gz HNABERGQTXLKKI-INIZCTEOSA-N 0 3 300.446 3.153 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc[nH]c1)c1ccc(C(C)C)cc1 ZINC001691767486 1176040019 /nfs/dbraw/zinc/04/00/19/1176040019.db2.gz NRSFIBJRZPZIQZ-IBGZPJMESA-N 0 3 323.440 3.222 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001772512204 1176047695 /nfs/dbraw/zinc/04/76/95/1176047695.db2.gz YWZXBEOXEXTETI-OALUTQOASA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN(C(=O)CCCC1CC1)C1CCN(CC=C(C)C)CC1 ZINC001671486704 1176148801 /nfs/dbraw/zinc/14/88/01/1176148801.db2.gz ACIZCQXYJPQKEX-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN O=C(CC1CCCC1)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001671266458 1176175733 /nfs/dbraw/zinc/17/57/33/1176175733.db2.gz PKRSKVJFJVUOJI-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc(C)cc1Cl ZINC001670661135 1176205267 /nfs/dbraw/zinc/20/52/67/1176205267.db2.gz DPIZSOYAKYPKIJ-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN O=C(CC#Cc1ccccc1)NC[C@@H]1CCN1CCCC1CCC1 ZINC001670729777 1176249976 /nfs/dbraw/zinc/24/99/76/1176249976.db2.gz NBUKWSWRIYJNFQ-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001691053519 1176278220 /nfs/dbraw/zinc/27/82/20/1176278220.db2.gz RPASUNXCBBMTBO-AWEZNQCLSA-N 0 3 317.458 3.342 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001691087309 1176302279 /nfs/dbraw/zinc/30/22/79/1176302279.db2.gz MNYAKIZQUQRMMG-SYQHCUMBSA-N 0 3 319.836 3.045 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001691089514 1176303146 /nfs/dbraw/zinc/30/31/46/1176303146.db2.gz ODYQDWLTPCXDBA-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001691098061 1176309179 /nfs/dbraw/zinc/30/91/79/1176309179.db2.gz YMCFLKFQTSTTQA-OALUTQOASA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001691098569 1176311537 /nfs/dbraw/zinc/31/15/37/1176311537.db2.gz QMFZREYHFHZMJV-RWMBFGLXSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1cccc(Cl)c1F ZINC001691099686 1176311708 /nfs/dbraw/zinc/31/17/08/1176311708.db2.gz FKTSPMQLKMDPPV-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001691107975 1176318939 /nfs/dbraw/zinc/31/89/39/1176318939.db2.gz XATAFAQOOMDLHM-KDURUIRLSA-N 0 3 324.468 3.125 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(Cl)cc1C ZINC001691189349 1176373284 /nfs/dbraw/zinc/37/32/84/1176373284.db2.gz XOOXLHLCFVKJIY-UHFFFAOYSA-N 0 3 306.837 3.114 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN(Cc1ccc2ccccc2c1)C1CC1 ZINC001691205398 1176389391 /nfs/dbraw/zinc/38/93/91/1176389391.db2.gz UOWFESBPHIXXCN-OAHLLOKOSA-N 0 3 321.424 3.080 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001691220855 1176399979 /nfs/dbraw/zinc/39/99/79/1176399979.db2.gz HNLSWWZOOLBWMN-UHFFFAOYSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c(C)cccc1Cl)C1CC1 ZINC001691223253 1176400754 /nfs/dbraw/zinc/40/07/54/1176400754.db2.gz ZHERLBBMTAZLMB-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNCc1conc1C ZINC001691294199 1176428549 /nfs/dbraw/zinc/42/85/49/1176428549.db2.gz JJGKOMNYBHACCX-PBHICJAKSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cccs1)c1ccccc1 ZINC001691772856 1176434369 /nfs/dbraw/zinc/43/43/69/1176434369.db2.gz QMEDSFUDRKEHMV-OAHLLOKOSA-N 0 3 300.427 3.385 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1 ZINC001691367022 1176454386 /nfs/dbraw/zinc/45/43/86/1176454386.db2.gz CXKSDCCFYWHYHJ-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(C2CCC2)CCC1 ZINC001691392077 1176464309 /nfs/dbraw/zinc/46/43/09/1176464309.db2.gz JJGFJZLUJHBRLT-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001691391892 1176464518 /nfs/dbraw/zinc/46/45/18/1176464518.db2.gz FUDOKIQLGHYFIT-ZIAGYGMSSA-N 0 3 322.474 3.258 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(CC)CC ZINC001691429568 1176534045 /nfs/dbraw/zinc/53/40/45/1176534045.db2.gz ZZSAXTBATHKIGG-BPQIPLTHSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CCC1(C(=O)N2CC3(C2)CCN(C[C@H](F)CC)CC3)CCC1 ZINC001754961311 1176714170 /nfs/dbraw/zinc/71/41/70/1176714170.db2.gz PEUNNCSMUPLUME-MRXNPFEDSA-N 0 3 322.468 3.405 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CCCc1cc(C)sc1C ZINC001755047462 1176729409 /nfs/dbraw/zinc/72/94/09/1176729409.db2.gz KMIRKBWVORDCMH-UHFFFAOYSA-N 0 3 320.502 3.101 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccncc2F)CC1 ZINC001752433110 1176806417 /nfs/dbraw/zinc/80/64/17/1176806417.db2.gz ACIXKYVUPXDENF-UHFFFAOYSA-N 0 3 319.424 3.113 20 30 DGEDHN C[C@@H](NC1(CNC(=O)C#CC2CC2)CC1)c1cccc(Cl)c1 ZINC001670781644 1176837290 /nfs/dbraw/zinc/83/72/90/1176837290.db2.gz LSWVELPWSMBWBQ-CYBMUJFWSA-N 0 3 316.832 3.053 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)oc2C)CCCC1 ZINC001753500226 1176903833 /nfs/dbraw/zinc/90/38/33/1176903833.db2.gz XUBJCGCFILYBGW-UHFFFAOYSA-N 0 3 310.825 3.281 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001088332181 1177127584 /nfs/dbraw/zinc/12/75/84/1177127584.db2.gz VFNUOYWAEUPTHU-HNNXBMFYSA-N 0 3 310.869 3.290 20 30 DGEDHN CC(=O)N1CCCCC[C@H](NCC#Cc2ccccc2Cl)C1 ZINC001691609475 1177325377 /nfs/dbraw/zinc/32/53/77/1177325377.db2.gz HPZBQKKGDBUALI-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H](C)NC/C=C\Cl)c1ccccc1 ZINC001752921586 1177442825 /nfs/dbraw/zinc/44/28/25/1177442825.db2.gz UVIPILLSFNDSFA-IKQZUGGXSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)CC ZINC001670965059 1177557350 /nfs/dbraw/zinc/55/73/50/1177557350.db2.gz ODQHUIOKYHQPIK-KURKYZTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001671039096 1177579256 /nfs/dbraw/zinc/57/92/56/1177579256.db2.gz KLHRSLDYBMYOAA-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)[C@@H]1C ZINC001691654373 1177580240 /nfs/dbraw/zinc/58/02/40/1177580240.db2.gz PROPRNQUMSOFOW-CLCXKQKWSA-N 0 3 321.424 3.078 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H](C)NCc2nc(C)cs2)CC1 ZINC001691657910 1177598276 /nfs/dbraw/zinc/59/82/76/1177598276.db2.gz YQRISRFOWAWDKY-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001691665465 1177617948 /nfs/dbraw/zinc/61/79/48/1177617948.db2.gz FFRANOOXOKZPGV-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001691669955 1177628123 /nfs/dbraw/zinc/62/81/23/1177628123.db2.gz DZUSMUKPAVKFQE-HUUCEWRRSA-N 0 3 319.449 3.128 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)c1ccccc1 ZINC001691678595 1177682513 /nfs/dbraw/zinc/68/25/13/1177682513.db2.gz NZLYNLKITYUBBV-MOPGFXCFSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)CCc2ccccc2F)[C@H]1C ZINC001691722217 1177887813 /nfs/dbraw/zinc/88/78/13/1177887813.db2.gz DVGNORWMKNJRKW-DAYGRLMNSA-N 0 3 318.436 3.159 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001691737687 1177969742 /nfs/dbraw/zinc/96/97/42/1177969742.db2.gz RGJCBBINRMJYFP-OTVXOJSOSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001331029522 1178117420 /nfs/dbraw/zinc/11/74/20/1178117420.db2.gz OYNIHUZELYCAKC-UHFFFAOYSA-N 0 3 324.468 3.317 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](CNCc1cncs1)C1CC1 ZINC001331324260 1178184301 /nfs/dbraw/zinc/18/43/01/1178184301.db2.gz JQZCCHXVDBPAJF-DOTOQJQBSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1ccc(C(C)C)nc1C ZINC001331408466 1178206629 /nfs/dbraw/zinc/20/66/29/1178206629.db2.gz ZVUWRGYUGVRNEA-HNNXBMFYSA-N 0 3 317.477 3.416 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001331440389 1178215177 /nfs/dbraw/zinc/21/51/77/1178215177.db2.gz HPQATYHMRUJTFO-ZWKOTPCHSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001331549902 1178243808 /nfs/dbraw/zinc/24/38/08/1178243808.db2.gz ZVSMNUXDSIZCTN-KBXCAEBGSA-N 0 3 306.425 3.365 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001331600864 1178256617 /nfs/dbraw/zinc/25/66/17/1178256617.db2.gz QPEHROSZCPLMPY-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CC(C)(C)C ZINC001331855160 1178292895 /nfs/dbraw/zinc/29/28/95/1178292895.db2.gz ZPVUXUOBEBSFSR-AEFFLSMTSA-N 0 3 312.457 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001331886334 1178297962 /nfs/dbraw/zinc/29/79/62/1178297962.db2.gz HQIRXXDWNFYGQM-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN[C@H]2CCCc3occc32)c1 ZINC001331962240 1178320849 /nfs/dbraw/zinc/32/08/49/1178320849.db2.gz CHVWUYQRXVYWIC-INIZCTEOSA-N 0 3 309.369 3.147 20 30 DGEDHN CC(C)=CC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001332066519 1178349267 /nfs/dbraw/zinc/34/92/67/1178349267.db2.gz APMANFXMPAQYCY-QUCCMNQESA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(Cl)cs1)C(C)C ZINC001332733243 1178487069 /nfs/dbraw/zinc/48/70/69/1178487069.db2.gz YRGDTMSKQKEUNT-UHFFFAOYSA-N 0 3 300.855 3.370 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1csc(C2CC2)n1)C(C)C ZINC001332740112 1178488805 /nfs/dbraw/zinc/48/88/05/1178488805.db2.gz BDDWZPIDWNYLCI-UHFFFAOYSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(C)c(F)c(C)c1)C(C)C ZINC001332740604 1178489932 /nfs/dbraw/zinc/48/99/32/1178489932.db2.gz NVZQPPCZWKWQNQ-UHFFFAOYSA-N 0 3 306.425 3.411 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001332805346 1178500339 /nfs/dbraw/zinc/50/03/39/1178500339.db2.gz BWOMMZMRCVUIMI-MRXNPFEDSA-N 0 3 321.440 3.198 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC001332886116 1178515718 /nfs/dbraw/zinc/51/57/18/1178515718.db2.gz RZCFHBPPSVBHOG-HNNXBMFYSA-N 0 3 324.428 3.125 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@](C)(F)CCCC)CC1 ZINC001332949722 1178527785 /nfs/dbraw/zinc/52/77/85/1178527785.db2.gz KJYGVPFCCXLCSH-CRAIPNDOSA-N 0 3 310.457 3.145 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@@H](CC)C(C)(C)C)CC2)CC1 ZINC001333179391 1178568169 /nfs/dbraw/zinc/56/81/69/1178568169.db2.gz HDFKHFPQZSNYAG-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C[S@](=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC001333310802 1178586697 /nfs/dbraw/zinc/58/66/97/1178586697.db2.gz IZOHXZYMVRAZPN-QFIPXVFZSA-N 0 3 312.438 3.321 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)Cc2c(C)cccc2C)CC1 ZINC001333668804 1178649509 /nfs/dbraw/zinc/64/95/09/1178649509.db2.gz RZDIUGAGNIZGTM-UHFFFAOYSA-N 0 3 315.461 3.095 20 30 DGEDHN CN(C)c1ncc(CN2CCC(C)(C#N)CC2)c2ccccc21 ZINC001334662111 1178779112 /nfs/dbraw/zinc/77/91/12/1178779112.db2.gz OKMWIBLDEIZUKY-UHFFFAOYSA-N 0 3 308.429 3.426 20 30 DGEDHN C=CCCC(C)(C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001621028478 1192911097 /nfs/dbraw/zinc/91/10/97/1192911097.db2.gz DZUYOVZFQCBLKK-UHFFFAOYSA-N 0 3 308.378 3.391 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(OC)c1 ZINC001335858272 1178964550 /nfs/dbraw/zinc/96/45/50/1178964550.db2.gz WPABCROOJPOQQY-IRXDYDNUSA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC001341484938 1179015653 /nfs/dbraw/zinc/01/56/53/1179015653.db2.gz DSIYUJGOIFJBBI-ZFWWWQNUSA-N 0 3 313.401 3.202 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC001341515663 1179020965 /nfs/dbraw/zinc/02/09/65/1179020965.db2.gz NCODJNATJURZSN-SFHVURJKSA-N 0 3 309.413 3.295 20 30 DGEDHN Cc1ccc(C)c(C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)c1 ZINC001341513469 1179021049 /nfs/dbraw/zinc/02/10/49/1179021049.db2.gz DBQSEDFTKDARMH-SFHVURJKSA-N 0 3 313.445 3.031 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1OC ZINC001341539248 1179024897 /nfs/dbraw/zinc/02/48/97/1179024897.db2.gz NVNNGJYZSMSCDE-DLBZAZTESA-N 0 3 316.445 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1ccccc1OC ZINC001341539250 1179025708 /nfs/dbraw/zinc/02/57/08/1179025708.db2.gz NVNNGJYZSMSCDE-IRXDYDNUSA-N 0 3 316.445 3.432 20 30 DGEDHN CC[C@@H]1CCCc2sc(NC(=O)[C@@H](N)CCCCC#N)nc21 ZINC001341780838 1179061421 /nfs/dbraw/zinc/06/14/21/1179061421.db2.gz POMXNUFMCPGMFQ-NEPJUHHUSA-N 0 3 320.462 3.323 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001341876781 1179076134 /nfs/dbraw/zinc/07/61/34/1179076134.db2.gz QXQMVOBDQUTIQZ-ZFWWWQNUSA-N 0 3 322.836 3.003 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCCC[C@@H]1CC ZINC001342020872 1179093470 /nfs/dbraw/zinc/09/34/70/1179093470.db2.gz RFVVOWQWQDZYAE-HOTGVXAUSA-N 0 3 317.481 3.042 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1Cc2cccc(C#N)c2C1 ZINC001342067646 1179098507 /nfs/dbraw/zinc/09/85/07/1179098507.db2.gz CQMSQOYSWSLKKR-SFHVURJKSA-N 0 3 313.445 3.478 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCCCCC1 ZINC001342354138 1179133838 /nfs/dbraw/zinc/13/38/38/1179133838.db2.gz FAYKVDPJILHIPQ-INIZCTEOSA-N 0 3 317.481 3.044 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC001342387921 1179136769 /nfs/dbraw/zinc/13/67/69/1179136769.db2.gz ZGHREYRCNCUJCJ-FUHWJXTLSA-N 0 3 304.409 3.157 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC=CCC1)c1nccn1Cc1ccccc1 ZINC001342603500 1179159620 /nfs/dbraw/zinc/15/96/20/1179159620.db2.gz KMZUMSAFNGHNOZ-IAGOWNOFSA-N 0 3 305.381 3.464 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1 ZINC001342697474 1179174664 /nfs/dbraw/zinc/17/46/64/1179174664.db2.gz LOAYRTQDHIRUSN-ZWKOTPCHSA-N 0 3 316.445 3.336 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC001343213817 1179244453 /nfs/dbraw/zinc/24/44/53/1179244453.db2.gz NTDSTYYNHSXKKX-AWEZNQCLSA-N 0 3 322.474 3.059 20 30 DGEDHN CC(C)C1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)COC1 ZINC001343473489 1179281157 /nfs/dbraw/zinc/28/11/57/1179281157.db2.gz OZUZTHSSDYFVDR-LLVKDONJSA-N 0 3 306.431 3.289 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC001343530205 1179293053 /nfs/dbraw/zinc/29/30/53/1179293053.db2.gz HXVVMIXZWYCOFQ-STQMWFEESA-N 0 3 319.474 3.490 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001343841712 1179336570 /nfs/dbraw/zinc/33/65/70/1179336570.db2.gz HKGGAODWUXOPDL-SJORKVTESA-N 0 3 322.412 3.040 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(OCC(F)(F)F)n2)C1 ZINC001343995639 1179360996 /nfs/dbraw/zinc/36/09/96/1179360996.db2.gz YHCNQBGJDZVHIU-NEPJUHHUSA-N 0 3 313.323 3.195 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(OCC(F)(F)F)n2)C1 ZINC001343995642 1179361530 /nfs/dbraw/zinc/36/15/30/1179361530.db2.gz YHCNQBGJDZVHIU-NWDGAFQWSA-N 0 3 313.323 3.195 20 30 DGEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1cccc(F)n1 ZINC001344005766 1179364076 /nfs/dbraw/zinc/36/40/76/1179364076.db2.gz QAQFAIJSIZBSHO-GFCCVEGCSA-N 0 3 304.271 3.308 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001344322040 1179412575 /nfs/dbraw/zinc/41/25/75/1179412575.db2.gz GQUIXYLMISKMPX-CABZTGNLSA-N 0 3 300.189 3.053 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCOc1ccccc1 ZINC001344322828 1179412425 /nfs/dbraw/zinc/41/24/25/1179412425.db2.gz ZEMWNMMKYQCERH-ZDUSSCGKSA-N 0 3 317.776 3.109 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1C(F)(F)F ZINC001344322024 1179412681 /nfs/dbraw/zinc/41/26/81/1179412681.db2.gz GJZDGQJGEBUTOU-VIFPVBQESA-N 0 3 313.304 3.473 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC(C1CC1)C1CC1 ZINC001344788808 1179476484 /nfs/dbraw/zinc/47/64/84/1179476484.db2.gz VSSNUZORIMNOHJ-SFHVURJKSA-N 0 3 324.424 3.180 20 30 DGEDHN C#CCC[C@@H](O)CNCc1ccc(-c2ccc(F)cc2C)o1 ZINC001621052422 1192969417 /nfs/dbraw/zinc/96/94/17/1192969417.db2.gz WJDPYKNEIDMAEB-OAHLLOKOSA-N 0 3 301.361 3.258 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1ccc(C)cc1C ZINC001346095376 1179651709 /nfs/dbraw/zinc/65/17/09/1179651709.db2.gz DCCPEPIUGARKSZ-OAHLLOKOSA-N 0 3 311.385 3.165 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001346958429 1179763989 /nfs/dbraw/zinc/76/39/89/1179763989.db2.gz BRKNKSMEEMXCFA-SFHVURJKSA-N 0 3 316.445 3.305 20 30 DGEDHN CC[C@@H]1C[C@@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001347992227 1179824907 /nfs/dbraw/zinc/82/49/07/1179824907.db2.gz DEFHBTLGTMODMM-UHTWSYAYSA-N 0 3 308.328 3.131 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1CC(OC(C)(C)C)C1 ZINC001349702282 1179935183 /nfs/dbraw/zinc/93/51/83/1179935183.db2.gz OGWNRYLDFGZUJX-HTAVTVPLSA-N 0 3 323.824 3.234 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602834459 1192999502 /nfs/dbraw/zinc/99/95/02/1192999502.db2.gz UOIZWFOFLUPMLG-CYBMUJFWSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602834459 1192999504 /nfs/dbraw/zinc/99/95/04/1192999504.db2.gz UOIZWFOFLUPMLG-CYBMUJFWSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602834364 1192999799 /nfs/dbraw/zinc/99/97/99/1192999799.db2.gz QXYXVSIWXYGZMX-GUYCJALGSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602834364 1192999802 /nfs/dbraw/zinc/99/98/02/1192999802.db2.gz QXYXVSIWXYGZMX-GUYCJALGSA-N 0 3 311.433 3.058 20 30 DGEDHN CC(C)[C@@H]1C[C@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001350354515 1180058911 /nfs/dbraw/zinc/05/89/11/1180058911.db2.gz RGPMDKWAEIUDTB-GHJWDPDVSA-N 0 3 322.355 3.377 20 30 DGEDHN CC(C)([NH2+]CC1CCC(C#N)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603165275 1193009427 /nfs/dbraw/zinc/00/94/27/1193009427.db2.gz IBDWPZDYLBRNBD-UHFFFAOYSA-N 0 3 324.432 3.021 20 30 DGEDHN CC(C)([NH2+]CC1CCC(C#N)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603165275 1193009431 /nfs/dbraw/zinc/00/94/31/1193009431.db2.gz IBDWPZDYLBRNBD-UHFFFAOYSA-N 0 3 324.432 3.021 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CCN(CC)C[C@H]1O ZINC001100083185 1180365603 /nfs/dbraw/zinc/36/56/03/1180365603.db2.gz OIQPGCLSWYTFDQ-IAGOWNOFSA-N 0 3 312.498 3.089 20 30 DGEDHN C=CCCC(=O)NCC1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001100169167 1180417781 /nfs/dbraw/zinc/41/77/81/1180417781.db2.gz HWPVWWLOFCENQQ-NFOMZHRRSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2sccc2Cl)C1 ZINC001100170336 1180418167 /nfs/dbraw/zinc/41/81/67/1180418167.db2.gz JOXHFEMMXYJNKP-UHFFFAOYSA-N 0 3 312.866 3.352 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC001353644264 1180614613 /nfs/dbraw/zinc/61/46/13/1180614613.db2.gz BCWBCGYQXZBCLA-DLBZAZTESA-N 0 3 301.434 3.209 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100364349 1180617222 /nfs/dbraw/zinc/61/72/22/1180617222.db2.gz ADIILUGQFXDMHA-UHFFFAOYSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2c(C)nsc2C)C1 ZINC001100371135 1180624114 /nfs/dbraw/zinc/62/41/14/1180624114.db2.gz RNLJTMMOZIFXAE-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC001353748233 1180641456 /nfs/dbraw/zinc/64/14/56/1180641456.db2.gz CKXVRTJMFNXCON-UONOGXRCSA-N 0 3 314.351 3.132 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001100461011 1180707673 /nfs/dbraw/zinc/70/76/73/1180707673.db2.gz HVXMKRSYFYSLRP-PIMMBPRGSA-N 0 3 304.837 3.142 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1nc2ccccc2[nH]1 ZINC001354065089 1180715362 /nfs/dbraw/zinc/71/53/62/1180715362.db2.gz ZQQGFAAXDLASCO-WISYIIOYSA-N 0 3 315.323 3.421 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001354381100 1180781226 /nfs/dbraw/zinc/78/12/26/1180781226.db2.gz LVSVIBNVZXCALG-RHSMWYFYSA-N 0 3 322.399 3.354 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100596198 1180835327 /nfs/dbraw/zinc/83/53/27/1180835327.db2.gz NZPYPBWRQUHZBZ-QHGAOEGBSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001100608307 1180848370 /nfs/dbraw/zinc/84/83/70/1180848370.db2.gz BKQWESAAXXSUOO-CPCZMJQVSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(NCc2ccncc2Cl)CC1 ZINC001200816390 1180933237 /nfs/dbraw/zinc/93/32/37/1180933237.db2.gz VRJYVPZYLRUBHR-UHFFFAOYSA-N 0 3 321.852 3.172 20 30 DGEDHN CC(C)[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001356567248 1181215857 /nfs/dbraw/zinc/21/58/57/1181215857.db2.gz NEFXKFLDINZNFZ-WWGRRREGSA-N 0 3 312.369 3.455 20 30 DGEDHN Cc1noc(-c2ccc(C(=O)C(C#N)c3cccc(F)n3)cc2)n1 ZINC001357580388 1181410281 /nfs/dbraw/zinc/41/02/81/1181410281.db2.gz NUWMNZHLNXGYQU-ZDUSSCGKSA-N 0 3 322.299 3.069 20 30 DGEDHN COc1cc(Cl)ccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001357581242 1181410665 /nfs/dbraw/zinc/41/06/65/1181410665.db2.gz YHLVDDKAPTVDRJ-LLVKDONJSA-N 0 3 304.708 3.373 20 30 DGEDHN N#C[C@H]1CC[C@H](OC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC001357661255 1181416621 /nfs/dbraw/zinc/41/66/21/1181416621.db2.gz FAVFYUPVPGVSQD-WMZOPIPTSA-N 0 3 312.413 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001359851387 1181609748 /nfs/dbraw/zinc/60/97/48/1181609748.db2.gz KUNOCNWXEPAWLH-AWEZNQCLSA-N 0 3 324.415 3.457 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(O)c2ccccc2c1 ZINC001448881111 1182217138 /nfs/dbraw/zinc/21/71/38/1182217138.db2.gz GQACUAYVXZQQIA-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001448882336 1182217301 /nfs/dbraw/zinc/21/73/01/1182217301.db2.gz JOGXCDPRRFNYRQ-UHFFFAOYSA-N 0 3 313.445 3.365 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC001459479800 1182589510 /nfs/dbraw/zinc/58/95/10/1182589510.db2.gz HEFVKTRSWXHRAK-APWZRJJASA-N 0 3 319.493 3.498 20 30 DGEDHN COCC#CCN1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC001459527564 1182592354 /nfs/dbraw/zinc/59/23/54/1182592354.db2.gz MDTYQQSURICHAZ-OAHLLOKOSA-N 0 3 321.848 3.253 20 30 DGEDHN N#Cc1ccnc(CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC001459580299 1182596360 /nfs/dbraw/zinc/59/63/60/1182596360.db2.gz MWBKHEYLKRXTFG-FQEVSTJZSA-N 0 3 321.424 3.215 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C1(CC)CC ZINC001459751485 1182612393 /nfs/dbraw/zinc/61/23/93/1182612393.db2.gz PUGIOOZAZVIVGO-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460034222 1182641643 /nfs/dbraw/zinc/64/16/43/1182641643.db2.gz XBPFARFTUHJXAQ-UHFFFAOYSA-N 0 3 311.813 3.188 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460181522 1182659886 /nfs/dbraw/zinc/65/98/86/1182659886.db2.gz SMILSFQOAZCYHY-GOEBONIOSA-N 0 3 322.246 3.218 20 30 DGEDHN C=CCOc1cccc(CN[C@H](CO)c2sccc2C)c1 ZINC001461260620 1182788845 /nfs/dbraw/zinc/78/88/45/1182788845.db2.gz GAPSVLQRDWDUTJ-MRXNPFEDSA-N 0 3 303.427 3.445 20 30 DGEDHN COc1cc(CNCc2cc3ccncc3s2)ccc1C#N ZINC001461484906 1182818384 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CCC[C@H](C)CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC001473106777 1183716198 /nfs/dbraw/zinc/71/61/98/1183716198.db2.gz ZDKAPWFIBRGNKR-INIZCTEOSA-N 0 3 300.450 3.292 20 30 DGEDHN CN1CCN(Cc2ccc(F)cc2C#N)CC12CCCCC2 ZINC001473486238 1183762382 /nfs/dbraw/zinc/76/23/82/1183762382.db2.gz GOOGSRWOKUIZIQ-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001473885190 1183819103 /nfs/dbraw/zinc/81/91/03/1183819103.db2.gz SBTYILNPEVJECY-IRXDYDNUSA-N 0 3 300.402 3.100 20 30 DGEDHN C=C1CCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001474335915 1183906396 /nfs/dbraw/zinc/90/63/96/1183906396.db2.gz LRTKOHLNMPCUIA-UHFFFAOYSA-N 0 3 324.465 3.102 20 30 DGEDHN CO[C@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2N(C)C)C12CCC2 ZINC001474525960 1183935268 /nfs/dbraw/zinc/93/52/68/1183935268.db2.gz IJFWCQIGQZLHEU-MSOLQXFVSA-N 0 3 313.445 3.014 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@H]1CCN1C(C)C)c1ccccc1 ZINC001479270727 1184223849 /nfs/dbraw/zinc/22/38/49/1184223849.db2.gz JISQPHALXHPPNZ-MSOLQXFVSA-N 0 3 300.446 3.287 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCC=C)CCCCC1 ZINC001479271444 1184224007 /nfs/dbraw/zinc/22/40/07/1184224007.db2.gz SVCIRKWFBNIPNQ-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001479269747 1184225121 /nfs/dbraw/zinc/22/51/21/1184225121.db2.gz AFMLQERXFFHGKP-HFCFLWKCSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@]2(C)CCC[C@H]2CC)C1 ZINC001479302413 1184229065 /nfs/dbraw/zinc/22/90/65/1184229065.db2.gz METRKOWLFSRQCE-PNBKFKSVSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001479313603 1184231645 /nfs/dbraw/zinc/23/16/45/1184231645.db2.gz MNHOZNBSHSNRGP-YQQAZPJKSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNCc1cnc(C)o1 ZINC001479511347 1184261992 /nfs/dbraw/zinc/26/19/92/1184261992.db2.gz LEOVMBIULHQCCM-PBHICJAKSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCCF)CC[C@@H]1c1ccccc1 ZINC001479617321 1184276563 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ZINC001480016362 1184411951 /nfs/dbraw/zinc/41/19/51/1184411951.db2.gz PFYUOLPSOJWRJP-RDTXWAMCSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001480092654 1184433382 /nfs/dbraw/zinc/43/33/82/1184433382.db2.gz BMGXIMULSHVDLI-RRQGHBQHSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CC=CCC1 ZINC001480095611 1184434822 /nfs/dbraw/zinc/43/48/22/1184434822.db2.gz SZOMWCFZLUGHAW-ZIFCJYIRSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001480121650 1184440445 /nfs/dbraw/zinc/44/04/45/1184440445.db2.gz BXIXRTVRNYBKEP-WGTSBNPKSA-N 0 3 318.848 3.289 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H]1C[C@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001480172305 1184451427 /nfs/dbraw/zinc/45/14/27/1184451427.db2.gz PSYVODIFQUGWHH-DJIMGWMZSA-N 0 3 318.848 3.336 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001480220666 1184462404 /nfs/dbraw/zinc/46/24/04/1184462404.db2.gz 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ZINC001480620685 1184561039 /nfs/dbraw/zinc/56/10/39/1184561039.db2.gz RWFYVBIZFZWXFJ-AWEZNQCLSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001480660086 1184568831 /nfs/dbraw/zinc/56/88/31/1184568831.db2.gz WKWKQNWQEBBFQR-BFTHVDOESA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001480788042 1184608434 /nfs/dbraw/zinc/60/84/34/1184608434.db2.gz VZILUCZVCITMBI-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2c(s1)CCC2 ZINC001480810413 1184614185 /nfs/dbraw/zinc/61/41/85/1184614185.db2.gz SCABCTPSEIAZJX-NSHDSACASA-N 0 3 312.866 3.087 20 30 DGEDHN C#CCC1(C(=O)NCCC[C@H]2CCCN2CCF)CCCCC1 ZINC001480833872 1184625547 /nfs/dbraw/zinc/62/55/47/1184625547.db2.gz ZFJUEVWSJNTCET-KRWDZBQOSA-N 0 3 322.468 3.291 20 30 DGEDHN CCN(CCNC(=O)C1(CC)CCC1)Cc1cccc(C#N)c1 ZINC001493003634 1184632442 /nfs/dbraw/zinc/63/24/42/1184632442.db2.gz ANSXJXYXHCAKEB-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1cccc(CC)c1 ZINC001493087834 1184646023 /nfs/dbraw/zinc/64/60/23/1184646023.db2.gz YYXWDINCFOAXLJ-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C2(CC(C)C)CCCC2)C1 ZINC001493246358 1184675000 /nfs/dbraw/zinc/67/50/00/1184675000.db2.gz WYVHWCLBLOZFDP-QGZVFWFLSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN[C@H](CNC(=O)C(C)(F)F)c1ccc(C(C)C)cc1 ZINC001493877755 1184756394 /nfs/dbraw/zinc/75/63/94/1184756394.db2.gz BSXPZQSDPFSIJC-OAHLLOKOSA-N 0 3 310.388 3.398 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc[nH]1)c1ccc(C(C)C)cc1 ZINC001493879991 1184757338 /nfs/dbraw/zinc/75/73/38/1184757338.db2.gz YIADZYGKSFGLHW-IBGZPJMESA-N 0 3 323.440 3.222 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC1CC(F)(F)C1)c1ccccc1 ZINC001493894280 1184759408 /nfs/dbraw/zinc/75/94/08/1184759408.db2.gz KIFPHRLADYRYHZ-OAHLLOKOSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1cccc(C)c1)c1ccccc1 ZINC001493895998 1184760606 /nfs/dbraw/zinc/76/06/06/1184760606.db2.gz IHKWKOKHNNTUDD-IBGZPJMESA-N 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/nfs/dbraw/zinc/85/30/03/1184853003.db2.gz GKIYRABDUWJDJR-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cccc(C)c2)C1 ZINC001494322960 1184854359 /nfs/dbraw/zinc/85/43/59/1184854359.db2.gz YHYMNQBLKMDAGF-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001494719096 1184912788 /nfs/dbraw/zinc/91/27/88/1184912788.db2.gz RILBVZXLMDGBHU-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001494737926 1184916021 /nfs/dbraw/zinc/91/60/21/1184916021.db2.gz LRDKNRPNAHSAPV-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001494778676 1184926563 /nfs/dbraw/zinc/92/65/63/1184926563.db2.gz UCCKLRFFZXPFKS-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001494819004 1184935043 /nfs/dbraw/zinc/93/50/43/1184935043.db2.gz JPQJMVCDMILGSU-FQEVSTJZSA-N 0 3 324.468 3.256 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2F)C1 ZINC001494873765 1184950264 /nfs/dbraw/zinc/95/02/64/1184950264.db2.gz CLCFDCBNQHPENL-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001494878281 1184952297 /nfs/dbraw/zinc/95/22/97/1184952297.db2.gz YIOUMIWOJWOFNK-WOJBJXKFSA-N 0 3 324.468 3.292 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc(C)c(C)s2)cc1 ZINC001495498602 1185066118 /nfs/dbraw/zinc/06/61/18/1185066118.db2.gz VRMCBASGXMJWHI-UHFFFAOYSA-N 0 3 312.438 3.018 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2conc2C)CCCC1 ZINC001495938907 1185115804 /nfs/dbraw/zinc/11/58/04/1185115804.db2.gz NEZYBXXXNCRLHU-OAHLLOKOSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001496384981 1185178699 /nfs/dbraw/zinc/17/86/99/1185178699.db2.gz DZGBAHIIACJJBZ-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN C[C@H]1CCCN(C(=O)CC2CC2)[C@H]1CNCC#Cc1ccccc1 ZINC001496472207 1185195268 /nfs/dbraw/zinc/19/52/68/1185195268.db2.gz ZGJUBWXKJOXAMD-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc2c(c1)CCC2)C(C)C ZINC001496636262 1185223792 /nfs/dbraw/zinc/22/37/92/1185223792.db2.gz RMSPTJRITSVRBK-KRWDZBQOSA-N 0 3 320.864 3.272 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC001496717527 1185236123 /nfs/dbraw/zinc/23/61/23/1185236123.db2.gz WVLYOCKLZIWDPG-UHFFFAOYSA-N 0 3 320.452 3.460 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001496758768 1185241083 /nfs/dbraw/zinc/24/10/83/1185241083.db2.gz QOPGHNYZSMUBBU-KRWDZBQOSA-N 0 3 318.436 3.415 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1coc(C2CCCCC2)n1 ZINC001496844945 1185258132 /nfs/dbraw/zinc/25/81/32/1185258132.db2.gz YSWUVPGHERXRBX-UHFFFAOYSA-N 0 3 319.449 3.302 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C\Cl)C2)CCC1 ZINC001496859897 1185259650 /nfs/dbraw/zinc/25/96/50/1185259650.db2.gz AKYRTLHRKBCWHY-CDUNHOTPSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC001497230533 1185299197 /nfs/dbraw/zinc/29/91/97/1185299197.db2.gz YGUGESMSAZBOGB-RHSMWYFYSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001497232225 1185300357 /nfs/dbraw/zinc/30/03/57/1185300357.db2.gz YIRRWJSEPRGJMW-WBMJQRKESA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001497232217 1185300393 /nfs/dbraw/zinc/30/03/93/1185300393.db2.gz YIRRWJSEPRGJMW-BLLLJJGKSA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC001497281343 1185308540 /nfs/dbraw/zinc/30/85/40/1185308540.db2.gz CQFOXJAWGVXVGS-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001497279617 1185308996 /nfs/dbraw/zinc/30/89/96/1185308996.db2.gz ZTIPGNPKNIUBSS-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2occc2s1 ZINC001498612272 1185523180 /nfs/dbraw/zinc/52/31/80/1185523180.db2.gz LECYOHNEAMWFLI-UHFFFAOYSA-N 0 3 312.822 3.299 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C2CC2)nc1C ZINC001498615843 1185523196 /nfs/dbraw/zinc/52/31/96/1185523196.db2.gz WGLVEMABTCMKLF-UHFFFAOYSA-N 0 3 321.852 3.072 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cc(C)ccc1F)C1CC1 ZINC001498767464 1185543174 /nfs/dbraw/zinc/54/31/74/1185543174.db2.gz NGGZRULENFGZPM-SFHVURJKSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1cnc(C)s1)C1CC1 ZINC001498817132 1185552145 /nfs/dbraw/zinc/55/21/45/1185552145.db2.gz KFAQCFOUVNQCFW-WBVHZDCISA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001498991469 1185586554 /nfs/dbraw/zinc/58/65/54/1185586554.db2.gz OVJCDVYZMZUOEY-YXOSVLIBSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001499022505 1185592306 /nfs/dbraw/zinc/59/23/06/1185592306.db2.gz WZBALMFGVDOLJH-SJLPKXTDSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001499050366 1185600353 /nfs/dbraw/zinc/60/03/53/1185600353.db2.gz NGXCZFZOTVUAMV-QGZVFWFLSA-N 0 3 323.440 3.248 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001499113415 1185614502 /nfs/dbraw/zinc/61/45/02/1185614502.db2.gz YHXNRYHYBSLVBO-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C[C@@H](NC1(CNC(=O)C#CC2CC2)CC1)c1ccc(Cl)cc1 ZINC001499221802 1185627409 /nfs/dbraw/zinc/62/74/09/1185627409.db2.gz SUOPTSBXBRVTCF-CYBMUJFWSA-N 0 3 316.832 3.053 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(NCc2ccc(Cl)s2)CC1 ZINC001499221687 1185627458 /nfs/dbraw/zinc/62/74/58/1185627458.db2.gz RWCLGQVRIIVZIB-UHFFFAOYSA-N 0 3 324.877 3.189 20 30 DGEDHN CCC(C)(C)CC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001499237298 1185628673 /nfs/dbraw/zinc/62/86/73/1185628673.db2.gz XATHQSWLTAYHKM-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3cccc(Cl)c3)CC2)C1 ZINC001499345339 1185640700 /nfs/dbraw/zinc/64/07/00/1185640700.db2.gz QABFCPQSIKYVGD-UHFFFAOYSA-N 0 3 318.848 3.435 20 30 DGEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCCC1 ZINC001499550169 1185666794 /nfs/dbraw/zinc/66/67/94/1185666794.db2.gz RYNFFNIFPGLZQM-HDICACEKSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001499604329 1185676512 /nfs/dbraw/zinc/67/65/12/1185676512.db2.gz TWFBOVACFFWXRL-QAPCUYQASA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CC/C=C/c3ccccc3)C2)C1 ZINC001499610645 1185677675 /nfs/dbraw/zinc/67/76/75/1185677675.db2.gz RAFWPOIBTSFXOS-VMLCMGRWSA-N 0 3 322.452 3.038 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ncc(C)s2)C[C@H]1C ZINC001499833271 1185703838 /nfs/dbraw/zinc/70/38/38/1185703838.db2.gz YCRNMFHTXNJFNI-UKRRQHHQSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2sc(C)cc2C)CC1 ZINC001500006500 1185731110 /nfs/dbraw/zinc/73/11/10/1185731110.db2.gz VMGINLPBIPHIES-UHFFFAOYSA-N 0 3 306.475 3.064 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@H](F)C1)C1CCN(CC(=C)C)CC1 ZINC001500037301 1185733042 /nfs/dbraw/zinc/73/30/42/1185733042.db2.gz DVOFYHGZJJVLIT-SJORKVTESA-N 0 3 320.452 3.017 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001500265417 1185766258 /nfs/dbraw/zinc/76/62/58/1185766258.db2.gz RCNIYQPPWBIMBX-VQIMIIECSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001500264977 1185766827 /nfs/dbraw/zinc/76/68/27/1185766827.db2.gz ONXJWSPKMMKVAH-AZUAARDMSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001500553531 1185821830 /nfs/dbraw/zinc/82/18/30/1185821830.db2.gz ZUYRAXXDRHCMRF-QUCCMNQESA-N 0 3 312.457 3.361 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CC1CC1)c1ccccc1CC ZINC001501016041 1185856162 /nfs/dbraw/zinc/85/61/62/1185856162.db2.gz RPDDEOJAQYGIFV-SFHVURJKSA-N 0 3 300.446 3.372 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001501737659 1185928151 /nfs/dbraw/zinc/92/81/51/1185928151.db2.gz WLGIXQQDPDDMTI-YVMONPNESA-N 0 3 310.869 3.266 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN(C)[C@H](C)c1ccccc1F ZINC001502177875 1185969290 /nfs/dbraw/zinc/96/92/90/1185969290.db2.gz HTKHHQCMHSWXMV-MRXNPFEDSA-N 0 3 318.436 3.471 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cccc(Cl)c1Cl ZINC001502392471 1185979398 /nfs/dbraw/zinc/97/93/98/1185979398.db2.gz IUYYBCRIGCKXIE-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001502522094 1185992554 /nfs/dbraw/zinc/99/25/54/1185992554.db2.gz LMCGCMFQIGZXHA-WNJRYGEDSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001502738114 1186005533 /nfs/dbraw/zinc/00/55/33/1186005533.db2.gz JBUMVNMPYBYCEM-SUMWQHHRSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2F)C1 ZINC001502745512 1186006213 /nfs/dbraw/zinc/00/62/13/1186006213.db2.gz WNWUDMXKEQLVLK-PBHICJAKSA-N 0 3 318.436 3.365 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001502922408 1186028318 /nfs/dbraw/zinc/02/83/18/1186028318.db2.gz GVPRFSHPOWSHSM-CRAIPNDOSA-N 0 3 316.420 3.098 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CCCCc2ccccc2)C[C@H]1C ZINC001502966701 1186032774 /nfs/dbraw/zinc/03/27/74/1186032774.db2.gz FXLIYBUGNOLDMN-MJGOQNOKSA-N 0 3 312.457 3.002 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H](F)CC ZINC001503679218 1186051430 /nfs/dbraw/zinc/05/14/30/1186051430.db2.gz WRJXFGXJFMKIBD-MSOLQXFVSA-N 0 3 318.436 3.416 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1F ZINC001505437082 1186080014 /nfs/dbraw/zinc/08/00/14/1186080014.db2.gz KTLIZNGLTQMOIK-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)cc1Cl ZINC001505447014 1186083549 /nfs/dbraw/zinc/08/35/49/1186083549.db2.gz XLOMBNCMOCJRQI-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)CCc1csc(C)n1 ZINC001506009649 1186180192 /nfs/dbraw/zinc/18/01/92/1186180192.db2.gz GKMYKOCMCULBNV-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC12CC2 ZINC001506548405 1186244806 /nfs/dbraw/zinc/24/48/06/1186244806.db2.gz IJPGRLSHLJFYTE-RBUKOAKNSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001506660354 1186270298 /nfs/dbraw/zinc/27/02/98/1186270298.db2.gz MTQGHIVTWSZMHF-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](CC)CCCCC)C(C)(C)C1 ZINC001506752145 1186287180 /nfs/dbraw/zinc/28/71/80/1186287180.db2.gz HEGZTMKRMXZGKA-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](CC)CCCCC)C(C)(C)C1 ZINC001506752150 1186287898 /nfs/dbraw/zinc/28/78/98/1186287898.db2.gz HEGZTMKRMXZGKA-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(N(C)Cc2cnc(C)s2)CC1 ZINC001506959057 1186325374 /nfs/dbraw/zinc/32/53/74/1186325374.db2.gz UVBWJXYQIUUOMM-UHFFFAOYSA-N 0 3 321.490 3.231 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](NCc1coc(C)n1)C(C)C ZINC001506987722 1186335361 /nfs/dbraw/zinc/33/53/61/1186335361.db2.gz JNWBCTGMQVCAQL-MRXNPFEDSA-N 0 3 321.465 3.206 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001507129312 1186368355 /nfs/dbraw/zinc/36/83/55/1186368355.db2.gz OFQVSTNHQLYXDZ-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(Cl)cc1Cl ZINC001507149512 1186372084 /nfs/dbraw/zinc/37/20/84/1186372084.db2.gz XELVSNBDTMUIHY-NSHDSACASA-N 0 3 313.228 3.067 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001507157843 1186374650 /nfs/dbraw/zinc/37/46/50/1186374650.db2.gz AEEIRLKUCXRLGJ-CRAIPNDOSA-N 0 3 318.436 3.025 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001507282775 1186380562 /nfs/dbraw/zinc/38/05/62/1186380562.db2.gz ZMMPGOUGOHLDHX-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCCc3ccccc3)CCC[C@@H]12 ZINC001507348895 1186398694 /nfs/dbraw/zinc/39/86/94/1186398694.db2.gz QEYNZBQXOXNORL-CTNGQTDRSA-N 0 3 324.468 3.146 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccccc2)[C@@H]1C ZINC001507381310 1186410917 /nfs/dbraw/zinc/41/09/17/1186410917.db2.gz BATZDHDNOCCPIV-FUHWJXTLSA-N 0 3 300.446 3.164 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)C1CCC1)Cc1ccccc1 ZINC001507384166 1186412621 /nfs/dbraw/zinc/41/26/21/1186412621.db2.gz DAAJLTSOJQMZJQ-KRWDZBQOSA-N 0 3 320.864 3.246 20 30 DGEDHN CC/C(C)=C/C(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001507431075 1186428338 /nfs/dbraw/zinc/42/83/38/1186428338.db2.gz KBMFFMYVNFFQOR-FLXZHSAZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Br)CNC[C@@H](NC(=O)[C@@H](C)CC)C(C)(C)C ZINC001507886878 1186454551 /nfs/dbraw/zinc/45/45/51/1186454551.db2.gz KWCZMZSKKZQTMB-CMPLNLGQSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2cncs2)C(C)(C)C)C1 ZINC001508019614 1186467426 /nfs/dbraw/zinc/46/74/26/1186467426.db2.gz BYGGSHIPERBKER-AWEZNQCLSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001508134145 1186483936 /nfs/dbraw/zinc/48/39/36/1186483936.db2.gz IWQURTAKSGLHBP-UHFFFAOYSA-N 0 3 305.249 3.241 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C(F)=C1CCCC1 ZINC001515158348 1186746379 /nfs/dbraw/zinc/74/63/79/1186746379.db2.gz KOYNTRVABIXRKX-LBPRGKRZSA-N 0 3 316.332 3.140 20 30 DGEDHN CCc1ccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC001515328474 1186753745 /nfs/dbraw/zinc/75/37/45/1186753745.db2.gz RFZXBFADECFTGE-UHFFFAOYSA-N 0 3 320.440 3.228 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001521228044 1187005990 /nfs/dbraw/zinc/00/59/90/1187005990.db2.gz XALQHVXVXYSFBM-RDJZCZTQSA-N 0 3 300.446 3.225 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCCCc1cccs1 ZINC001524265803 1187229473 /nfs/dbraw/zinc/22/94/73/1187229473.db2.gz FYUVCZWJWLICSA-CQSZACIVSA-N 0 3 301.415 3.461 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)C(F)(F)F ZINC001526586978 1187376642 /nfs/dbraw/zinc/37/66/42/1187376642.db2.gz ICKCNKIKWJRKTB-ZETCQYMHSA-N 0 3 307.703 3.228 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1(CCc2ccccc2)CC1 ZINC001526587013 1187377041 /nfs/dbraw/zinc/37/70/41/1187377041.db2.gz INTAWEQRLASZGL-INIZCTEOSA-N 0 3 307.397 3.492 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC001526594927 1187377795 /nfs/dbraw/zinc/37/77/95/1187377795.db2.gz SAONEHMTJZRNOE-HZPDHXFCSA-N 0 3 306.369 3.167 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001537148358 1188054410 /nfs/dbraw/zinc/05/44/10/1188054410.db2.gz OWMJVNWOTMZNLS-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001616682979 1193544994 /nfs/dbraw/zinc/54/49/94/1193544994.db2.gz CUJMOIJNSDXGSQ-ROUUACIJSA-N 0 3 305.418 3.038 20 30 DGEDHN CC#CCN(CCCNC(=O)C1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC001566604124 1188616844 /nfs/dbraw/zinc/61/68/44/1188616844.db2.gz OUOACLJVEUQRQN-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC001556466156 1189002326 /nfs/dbraw/zinc/00/23/26/1189002326.db2.gz LDPYFFDSMKNOCT-AWEZNQCLSA-N 0 3 324.852 3.074 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1c(C)ccc2cc(C)ccc21 ZINC001556828259 1189023490 /nfs/dbraw/zinc/02/34/90/1189023490.db2.gz LWVFUXAUFOCOEO-UHFFFAOYSA-N 0 3 308.425 3.142 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)CC(C)(F)F ZINC001565938141 1189133691 /nfs/dbraw/zinc/13/36/91/1189133691.db2.gz FVKZYNVVXPKMRT-YPMHNXCESA-N 0 3 322.827 3.391 20 30 DGEDHN C#CCCCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482701 1189209151 /nfs/dbraw/zinc/20/91/51/1189209151.db2.gz NADJEOMAMDJXHK-UHFFFAOYSA-N 0 3 315.417 3.301 20 30 DGEDHN C=CCN(CC(=O)N(CC(C)C)CC(F)(F)F)C(C)(C)C ZINC001560005293 1189268119 /nfs/dbraw/zinc/26/81/19/1189268119.db2.gz HHWSFQWYDKUWLU-UHFFFAOYSA-N 0 3 308.388 3.320 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(Br)c(C)c1 ZINC001560024090 1189270558 /nfs/dbraw/zinc/27/05/58/1189270558.db2.gz WUOAHSIUQBCDBR-UHFFFAOYSA-N 0 3 310.235 3.229 20 30 DGEDHN C[C@H](CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001560128696 1189281828 /nfs/dbraw/zinc/28/18/28/1189281828.db2.gz JJIVEGDCQWZLFC-PBHICJAKSA-N 0 3 313.445 3.278 20 30 DGEDHN CC#CC[C@H](CO)NCc1cccc(Oc2ccc(F)cc2)c1 ZINC001560519676 1189335929 /nfs/dbraw/zinc/33/59/29/1189335929.db2.gz MSOOMCXVFVYMTN-QGZVFWFLSA-N 0 3 313.372 3.482 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCCCC(=O)OC ZINC001560815332 1189386213 /nfs/dbraw/zinc/38/62/13/1189386213.db2.gz ALIFZDRNZFTBET-UHFFFAOYSA-N 0 3 323.820 3.175 20 30 DGEDHN C#C[C@H](C)NCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001560822922 1189388711 /nfs/dbraw/zinc/38/87/11/1189388711.db2.gz OQHPJJGHAVEDQA-LBPRGKRZSA-N 0 3 320.458 3.153 20 30 DGEDHN C[C@H](COc1c(F)cccc1F)NCC#Cc1ccccc1 ZINC001560926308 1189406545 /nfs/dbraw/zinc/40/65/45/1189406545.db2.gz JOXGCAKNEFFOQZ-CQSZACIVSA-N 0 3 301.336 3.373 20 30 DGEDHN C#CC1(NCc2ccc(C(=O)OCc3ccccc3)[nH]2)CCCC1 ZINC001560983432 1189415447 /nfs/dbraw/zinc/41/54/47/1189415447.db2.gz CPPOEHQBIVVTIV-UHFFFAOYSA-N 0 3 322.408 3.407 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001564712400 1189593350 /nfs/dbraw/zinc/59/33/50/1189593350.db2.gz MBYJOIACQMEUEQ-MRXNPFEDSA-N 0 3 307.482 3.295 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ccccc2)C1 ZINC001565503926 1189653751 /nfs/dbraw/zinc/65/37/51/1189653751.db2.gz JGHYIWCRBSQJRK-RBUKOAKNSA-N 0 3 310.441 3.027 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001565826140 1189679596 /nfs/dbraw/zinc/67/95/96/1189679596.db2.gz GCHXJJPYMGQHEB-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(Cl)s1 ZINC001565829017 1189680462 /nfs/dbraw/zinc/68/04/62/1189680462.db2.gz WTUIIHQVGVVFBI-GFCCVEGCSA-N 0 3 312.866 3.053 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001565850201 1189689846 /nfs/dbraw/zinc/68/98/46/1189689846.db2.gz FSSKYOMDRROVJF-AKAXFMLLSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001565854639 1189691808 /nfs/dbraw/zinc/69/18/08/1189691808.db2.gz LGQHTWOEHJEPNB-YUELXQCFSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001565892232 1189701729 /nfs/dbraw/zinc/70/17/29/1189701729.db2.gz LRESVRJTTOCGMR-GXTWGEPZSA-N 0 3 314.832 3.411 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@@H]1CC ZINC001566020965 1189718069 /nfs/dbraw/zinc/71/80/69/1189718069.db2.gz VNDRYPYPRDIOKW-ZWKOTPCHSA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCC)C[C@@H]2C1 ZINC001566038004 1189720579 /nfs/dbraw/zinc/72/05/79/1189720579.db2.gz GHOBUOHMDKDIQP-KSZLIROESA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CN(C)Cc1ccccc1 ZINC001566119961 1189739534 /nfs/dbraw/zinc/73/95/34/1189739534.db2.gz QRJLBKKIPASSTM-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccoc1C1CC1 ZINC001566124169 1189741185 /nfs/dbraw/zinc/74/11/85/1189741185.db2.gz IXMFXJGWIVLZKR-HNNXBMFYSA-N 0 3 302.418 3.270 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCCOc2ccccc2)C1 ZINC001566616558 1189824523 /nfs/dbraw/zinc/82/45/23/1189824523.db2.gz DHXCRPPUNRDWIF-QGZVFWFLSA-N 0 3 316.445 3.002 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001566616662 1189825862 /nfs/dbraw/zinc/82/58/62/1189825862.db2.gz HPSDYDMWVPCJNC-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN N#Cc1cc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)cs1 ZINC001657294496 1196128521 /nfs/dbraw/zinc/12/85/21/1196128521.db2.gz COEWDZNELJEKGV-CQSZACIVSA-N 0 3 310.781 3.235 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCCOc2ccccc2)C1 ZINC001566664207 1189846455 /nfs/dbraw/zinc/84/64/55/1189846455.db2.gz GGOBVKNLWRWTSZ-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC[C@@H](C)OC)CC1 ZINC001566696915 1189863482 /nfs/dbraw/zinc/86/34/82/1189863482.db2.gz HNMQPSQFNWCYNO-MRXNPFEDSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1ccc(F)cc1F)C1CC1 ZINC001566720189 1189874756 /nfs/dbraw/zinc/87/47/56/1189874756.db2.gz SCBLWHFWHICPMW-MRXNPFEDSA-N 0 3 322.399 3.161 20 30 DGEDHN CC(C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)=C1CCCC1 ZINC001566835181 1189917991 /nfs/dbraw/zinc/91/79/91/1189917991.db2.gz YTWZZOCUIWBFTE-BGYRXZFFSA-N 0 3 322.452 3.165 20 30 DGEDHN C=CCCC(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001566981393 1189979524 /nfs/dbraw/zinc/97/95/24/1189979524.db2.gz HFSHEIQDXLKKKS-PKNBQFBNSA-N 0 3 305.249 3.289 20 30 DGEDHN C/C=C(\C)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001566982136 1189979593 /nfs/dbraw/zinc/97/95/93/1189979593.db2.gz QYQOIZQKYQSNBB-LZWSPWQCSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCCC(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001566981391 1189979935 /nfs/dbraw/zinc/97/99/35/1189979935.db2.gz HFSHEIQDXLKKKS-LUAWRHEFSA-N 0 3 305.249 3.289 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC001567011572 1189994034 /nfs/dbraw/zinc/99/40/34/1189994034.db2.gz JDCWVUOJMKZLLG-UONOGXRCSA-N 0 3 306.837 3.299 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H](C)NCc2cccnc2)CCCCC1 ZINC001567060511 1190014767 /nfs/dbraw/zinc/01/47/67/1190014767.db2.gz KIKDLEHADLFBNU-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN CCCC(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001567243147 1190089573 /nfs/dbraw/zinc/08/95/73/1190089573.db2.gz GOAVYPHPLASASY-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@H]1CCCN1Cc1conc1C ZINC001567254302 1190097596 /nfs/dbraw/zinc/09/75/96/1190097596.db2.gz HIRSVOMTSXGJKM-KRWDZBQOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001567367129 1190154835 /nfs/dbraw/zinc/15/48/35/1190154835.db2.gz VNXRNYBRJVWMPA-FUHWJXTLSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCc1sccc1C ZINC001567382181 1190163371 /nfs/dbraw/zinc/16/33/71/1190163371.db2.gz FLHIZDCNGPLTPU-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001567405181 1190174113 /nfs/dbraw/zinc/17/41/13/1190174113.db2.gz BJSBZFVGTALPMM-HNNXBMFYSA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001567431784 1190189533 /nfs/dbraw/zinc/18/95/33/1190189533.db2.gz RMVRNLVLHAFNQM-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001567434738 1190190190 /nfs/dbraw/zinc/19/01/90/1190190190.db2.gz MYSDYJVKDOIXAA-DLBZAZTESA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1cccc(C)c1)C1CC1 ZINC001567446119 1190197218 /nfs/dbraw/zinc/19/72/18/1190197218.db2.gz JOZOJHVBEMRPRZ-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1ccc(C)c(C)c1)C1CC1 ZINC001567453764 1190201780 /nfs/dbraw/zinc/20/17/80/1190201780.db2.gz BTDRSMYSDXBTBE-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cnc(C3CC3)o2)C1 ZINC001567684413 1190251555 /nfs/dbraw/zinc/25/15/55/1190251555.db2.gz FVRUJSMCHABREC-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN O=C(NCC[C@H]1CCN(CC#Cc2ccccc2)C1)C1CCCC1 ZINC001567692568 1190257055 /nfs/dbraw/zinc/25/70/55/1190257055.db2.gz CRXFLYYWXBGFTF-IBGZPJMESA-N 0 3 324.468 3.057 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)CCC)C1 ZINC001567745709 1190283708 /nfs/dbraw/zinc/28/37/08/1190283708.db2.gz XEEFCUHWPRSYFS-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC001567766917 1190292468 /nfs/dbraw/zinc/29/24/68/1190292468.db2.gz REICABNZEKPLDR-MRXNPFEDSA-N 0 3 320.481 3.068 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC=CCC1 ZINC001567850494 1190320843 /nfs/dbraw/zinc/32/08/43/1190320843.db2.gz JYTCTYIXSGWISG-SQNIBIBYSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001567850525 1190321469 /nfs/dbraw/zinc/32/14/69/1190321469.db2.gz LHMPQHDFDCKHOH-JQFCIGGWSA-N 0 3 302.393 3.079 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC(C)(C)CC1 ZINC001567856000 1190323450 /nfs/dbraw/zinc/32/34/50/1190323450.db2.gz DPCBRPFHCRYGAR-ROUUACIJSA-N 0 3 316.489 3.147 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2ccccc21 ZINC001567861378 1190324193 /nfs/dbraw/zinc/32/41/93/1190324193.db2.gz UMYLHDJXLMDWGN-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001567908926 1190347954 /nfs/dbraw/zinc/34/79/54/1190347954.db2.gz VDDNHMIJJZLOJX-IBGZPJMESA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001567945189 1190369457 /nfs/dbraw/zinc/36/94/57/1190369457.db2.gz JOKDUJALPFGZLI-CYBMUJFWSA-N 0 3 310.438 3.390 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001567944007 1190369855 /nfs/dbraw/zinc/36/98/55/1190369855.db2.gz KFZSCQMLDURTPJ-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001567945177 1190369906 /nfs/dbraw/zinc/36/99/06/1190369906.db2.gz JGZOUSYZNAJPEJ-ROUUACIJSA-N 0 3 312.457 3.045 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)N[C@@H](C)c1ccccc1F ZINC001567960206 1190376435 /nfs/dbraw/zinc/37/64/35/1190376435.db2.gz XEGZJNKJVQYDCW-LSDHHAIUSA-N 0 3 304.409 3.175 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1 ZINC001568002895 1190394281 /nfs/dbraw/zinc/39/42/81/1190394281.db2.gz WGZICZYYKQTIDR-RBSFLKMASA-N 0 3 310.869 3.194 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001568014392 1190398311 /nfs/dbraw/zinc/39/83/11/1190398311.db2.gz BZTISIBAWBFSQF-AUUYWEPGSA-N 0 3 316.445 3.235 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2cncs2)CCCC[C@@H]1C ZINC001568037552 1190406402 /nfs/dbraw/zinc/40/64/02/1190406402.db2.gz ZLMGVMPCJKGAML-YOEHRIQHSA-N 0 3 321.490 3.264 20 30 DGEDHN CC(C)CC(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001568254941 1190464256 /nfs/dbraw/zinc/46/42/56/1190464256.db2.gz NFBYOLWBEPJBSY-HNNXBMFYSA-N 0 3 320.864 3.174 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1cnc(C)s1)C(C)C ZINC001568461392 1190528980 /nfs/dbraw/zinc/52/89/80/1190528980.db2.gz USGKDUKAXYQGRK-WBVHZDCISA-N 0 3 323.506 3.284 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001568478982 1190538769 /nfs/dbraw/zinc/53/87/69/1190538769.db2.gz MQVFIHAUZVYTSQ-INIZCTEOSA-N 0 3 318.436 3.471 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001568493437 1190544772 /nfs/dbraw/zinc/54/47/72/1190544772.db2.gz STURAZICCAJJLM-QGZVFWFLSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cnc2ccccc2c1C ZINC001568551443 1190564586 /nfs/dbraw/zinc/56/45/86/1190564586.db2.gz DQQJZVYVPRQMPG-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC001568655834 1190574128 /nfs/dbraw/zinc/57/41/28/1190574128.db2.gz SUKVUJHYVWSTRT-AWEZNQCLSA-N 0 3 300.874 3.440 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CCNCc1cc(F)ccc1F ZINC001568667290 1190575621 /nfs/dbraw/zinc/57/56/21/1190575621.db2.gz DDYUUBHGACFTKB-AWEZNQCLSA-N 0 3 322.399 3.143 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccsc1Cl ZINC001568688192 1190578841 /nfs/dbraw/zinc/57/88/41/1190578841.db2.gz QBJWRJBDGOOHCA-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN CCN(CCNCc1ccc(F)c(Cl)c1)C(=O)C#CC(C)C ZINC001568740768 1190584922 /nfs/dbraw/zinc/58/49/22/1190584922.db2.gz XDYLCSAZWBLYRD-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001569043768 1190612814 /nfs/dbraw/zinc/61/28/14/1190612814.db2.gz HZCLXQBLRGADQB-HNNXBMFYSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001569079318 1190617872 /nfs/dbraw/zinc/61/78/72/1190617872.db2.gz XLJHSPLYLUCLSP-YVEFUNNKSA-N 0 3 310.388 3.161 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C1CCCCC1 ZINC001569102850 1190622635 /nfs/dbraw/zinc/62/26/35/1190622635.db2.gz FBUQHJZKAXXRLH-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C1CCCCC1 ZINC001569102849 1190622694 /nfs/dbraw/zinc/62/26/94/1190622694.db2.gz FBUQHJZKAXXRLH-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(OC)c1 ZINC001569130904 1190633812 /nfs/dbraw/zinc/63/38/12/1190633812.db2.gz FRBGFKPKCADCQT-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001569350397 1190673221 /nfs/dbraw/zinc/67/32/21/1190673221.db2.gz JYZOKMQKJZBMEB-QGZVFWFLSA-N 0 3 300.446 3.269 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001569366551 1190678896 /nfs/dbraw/zinc/67/88/96/1190678896.db2.gz RMQRPJPDTKDABX-KRWDZBQOSA-N 0 3 317.477 3.473 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001569373510 1190682164 /nfs/dbraw/zinc/68/21/64/1190682164.db2.gz ODXGWVDFNUJJLA-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)CCCCC(C)C)C2)C1 ZINC001569477810 1190705591 /nfs/dbraw/zinc/70/55/91/1190705591.db2.gz BXOHCADSITYWAL-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001569480620 1190706179 /nfs/dbraw/zinc/70/61/79/1190706179.db2.gz DZZJOQVCJWVGQB-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001569480619 1190706432 /nfs/dbraw/zinc/70/64/32/1190706432.db2.gz DZZJOQVCJWVGQB-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001569576440 1190719599 /nfs/dbraw/zinc/71/95/99/1190719599.db2.gz QFBNQMDTSKSPPS-XLIONFOSSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCN(C(=O)c1cscc1C)C1CCN(CC(=C)C)CC1 ZINC001569585065 1190720251 /nfs/dbraw/zinc/72/02/51/1190720251.db2.gz QHZOARXOFDVVSK-UHFFFAOYSA-N 0 3 316.470 3.172 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@](C)(F)CCCC)C2 ZINC001569623082 1190725208 /nfs/dbraw/zinc/72/52/08/1190725208.db2.gz VZZFVWJLZUFVPL-RBUKOAKNSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001569650757 1190734338 /nfs/dbraw/zinc/73/43/38/1190734338.db2.gz HNMHSQWLXYXSLA-OCCSQVGLSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC001569703147 1190743407 /nfs/dbraw/zinc/74/34/07/1190743407.db2.gz LBFGZZXLCIMOLL-ROUUACIJSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001569722308 1190749195 /nfs/dbraw/zinc/74/91/95/1190749195.db2.gz JFWPEIDWKPWQJN-HKUYNNGSSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C/C=C\Cl)C3)CCC1 ZINC001569798817 1190754887 /nfs/dbraw/zinc/75/48/87/1190754887.db2.gz PHNRERNZWXSHKL-XTBKDAOSSA-N 0 3 322.880 3.454 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccco1)c1ccccc1CC ZINC001569801447 1190755390 /nfs/dbraw/zinc/75/53/90/1190755390.db2.gz BFLXZSNXAOCXNG-GOSISDBHSA-N 0 3 312.413 3.018 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(CC=C)CCC2)cc1 ZINC001570031338 1190785030 /nfs/dbraw/zinc/78/50/30/1190785030.db2.gz MJPKIWMTNABADW-MRXNPFEDSA-N 0 3 310.441 3.333 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001570085472 1190793177 /nfs/dbraw/zinc/79/31/77/1190793177.db2.gz KQYABVOCLFTSKD-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C[C@H](F)CC)CC2)CCC1 ZINC001570183019 1190809852 /nfs/dbraw/zinc/80/98/52/1190809852.db2.gz AVJKGRHYYSQPPP-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001570183096 1190810647 /nfs/dbraw/zinc/81/06/47/1190810647.db2.gz CDCYSYPSWXHYKK-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001570188903 1190812099 /nfs/dbraw/zinc/81/20/99/1190812099.db2.gz DVIKCQFPMVJYER-GJEJWFRCSA-N 0 3 310.441 3.002 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001570208799 1190822159 /nfs/dbraw/zinc/82/21/59/1190822159.db2.gz SQHOZSJVGAUFCY-GOSISDBHSA-N 0 3 314.473 3.292 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)CC(C)C)C2 ZINC001570275220 1190835750 /nfs/dbraw/zinc/83/57/50/1190835750.db2.gz SCUMGSBFSLTAMQ-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3ccoc3)cc2C1 ZINC001570310784 1190837149 /nfs/dbraw/zinc/83/71/49/1190837149.db2.gz INTJCZJKKUYTMN-UHFFFAOYSA-N 0 3 310.397 3.491 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001570397347 1190852129 /nfs/dbraw/zinc/85/21/29/1190852129.db2.gz GUWIGJBTUUIQOY-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCC(=O)N1CCC2(CC1)CN(CCCCC)CCO2 ZINC001570482545 1190868339 /nfs/dbraw/zinc/86/83/39/1190868339.db2.gz PHTLFNUBECDHGQ-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)CC[C@@H](C)CC)CC2)C1 ZINC001570482296 1190868568 /nfs/dbraw/zinc/86/85/68/1190868568.db2.gz HCHPGZPDDVFKGB-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCC(=O)N1CCC(CN(CC)CC(=C)Cl)CC1 ZINC001570500595 1190870394 /nfs/dbraw/zinc/87/03/94/1190870394.db2.gz WPHPFLWULBQBBK-UHFFFAOYSA-N 0 3 310.869 3.103 20 30 DGEDHN C=C[C@@H](C(=O)NC1CC(CNCC(=C)Cl)C1)c1ccccc1 ZINC001570581413 1190890870 /nfs/dbraw/zinc/89/08/70/1190890870.db2.gz UCGFSRWBSHFCQQ-BDVYOWHSSA-N 0 3 318.848 3.193 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001570630195 1190905946 /nfs/dbraw/zinc/90/59/46/1190905946.db2.gz FUNCECKXWQOTMQ-IRXDYDNUSA-N 0 3 314.473 3.347 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570642903 1190908500 /nfs/dbraw/zinc/90/85/00/1190908500.db2.gz YOLSHRXXDPSXTD-CHWSQXEVSA-N 0 3 321.490 3.429 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNCc1conc1C ZINC001570675290 1190915431 /nfs/dbraw/zinc/91/54/31/1190915431.db2.gz FMCRWRIKKLDDMS-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccc(C)o2)CCCCC1 ZINC001570795244 1190950424 /nfs/dbraw/zinc/95/04/24/1190950424.db2.gz YKMBQELQMJLFBM-UHFFFAOYSA-N 0 3 324.852 3.292 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)[nH]c2C)CCCCC1 ZINC001570803515 1190952045 /nfs/dbraw/zinc/95/20/45/1190952045.db2.gz WWXDZYZWTGQBIX-UHFFFAOYSA-N 0 3 323.868 3.406 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001570860374 1190967799 /nfs/dbraw/zinc/96/77/99/1190967799.db2.gz SJGSJCIQLDZYBG-YOEHRIQHSA-N 0 3 310.457 3.308 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CCCC[C@@H](C)CC)C(C)(C)C1 ZINC001570897460 1190972405 /nfs/dbraw/zinc/97/24/05/1190972405.db2.gz RSSQHWIYOJZYOE-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC[C@@H](C)CC)C[C@]2(C)C1 ZINC001571063735 1190981011 /nfs/dbraw/zinc/98/10/11/1190981011.db2.gz FGRZSZUHLUUJTE-YTQUADARSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CCCC3CCCC3)C2)C1 ZINC001571053343 1190981444 /nfs/dbraw/zinc/98/14/44/1190981444.db2.gz KKXMXBYHZMEHQE-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001571068345 1190982094 /nfs/dbraw/zinc/98/20/94/1190982094.db2.gz LVAZWQPOPJUVNQ-YSIASYRMSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](F)c1ccccc1 ZINC001571315718 1190991249 /nfs/dbraw/zinc/99/12/49/1190991249.db2.gz WXJUSMRWAYGXQY-ZFWWWQNUSA-N 0 3 312.816 3.324 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(N(C)Cc2ocnc2C)CC1 ZINC001571333331 1190995266 /nfs/dbraw/zinc/99/52/66/1190995266.db2.gz MUVVTDPCJZUGKX-HNNXBMFYSA-N 0 3 319.449 3.008 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001571476986 1191027225 /nfs/dbraw/zinc/02/72/25/1191027225.db2.gz LLVGKSNAZNMYGV-DOTOQJQBSA-N 0 3 324.424 3.171 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H](C)CC(C)C)CCC[C@@H]12 ZINC001571505758 1191034751 /nfs/dbraw/zinc/03/47/51/1191034751.db2.gz WEKJDLAHLROUSN-ZHALLVOQSA-N 0 3 304.478 3.195 20 30 DGEDHN Cc1cccc(CN2CCC[C@H](NC(=O)C#CC(C)C)[C@@H]2C)c1 ZINC001571517200 1191039410 /nfs/dbraw/zinc/03/94/10/1191039410.db2.gz PFNRBEDNRHVUMM-HKUYNNGSSA-N 0 3 312.457 3.124 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN(CCOC)[C@H]2C)CCCCC1 ZINC001571522262 1191042015 /nfs/dbraw/zinc/04/20/15/1191042015.db2.gz CLOVZWJZVQXSTR-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCCC1(F)F)C(C)C ZINC001571614203 1191061608 /nfs/dbraw/zinc/06/16/08/1191061608.db2.gz YJHLNNUNMIOUNQ-CQSZACIVSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1oc(C(C)C)nc1C)C(C)C ZINC001571615477 1191062716 /nfs/dbraw/zinc/06/27/16/1191062716.db2.gz SXKFVNDVIKZHEX-UHFFFAOYSA-N 0 3 307.438 3.075 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccc(Cl)nc1)C(C)(C)C ZINC001571620164 1191065360 /nfs/dbraw/zinc/06/53/60/1191065360.db2.gz FQRNFEYKKGVGQJ-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN CC(C)(C)[C@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCC1 ZINC001571621401 1191065946 /nfs/dbraw/zinc/06/59/46/1191065946.db2.gz BTESSGRITKFHJE-IBGZPJMESA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001571645962 1191073753 /nfs/dbraw/zinc/07/37/53/1191073753.db2.gz AOWZJBIJYASHMS-DLBZAZTESA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCc2ccncc2Cl)C1 ZINC001571661354 1191078057 /nfs/dbraw/zinc/07/80/57/1191078057.db2.gz LOEKJBOHGVUDCE-UHFFFAOYSA-N 0 3 321.852 3.170 20 30 DGEDHN C#CCCCCC(=O)NC1(C2CCN(C[C@H](F)CC)CC2)CC1 ZINC001571669150 1191081129 /nfs/dbraw/zinc/08/11/29/1191081129.db2.gz PXWOSVRNPOOSSJ-QGZVFWFLSA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC001574857156 1191455061 /nfs/dbraw/zinc/45/50/61/1191455061.db2.gz MQZUYROSKIPPRY-PWSUYJOCSA-N 0 3 323.849 3.347 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC001574899634 1191456409 /nfs/dbraw/zinc/45/64/09/1191456409.db2.gz DEQFFUADFQRUFP-QGZVFWFLSA-N 0 3 315.461 3.165 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC001574903329 1191457462 /nfs/dbraw/zinc/45/74/62/1191457462.db2.gz PBQUCQOHQYXTLU-YPMHNXCESA-N 0 3 303.431 3.157 20 30 DGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)[C@]12C[C@H]1CCCN2 ZINC001575051434 1191464723 /nfs/dbraw/zinc/46/47/23/1191464723.db2.gz MAZBOOSYAPQTSS-XNJGSVPQSA-N 0 3 315.442 3.019 20 30 DGEDHN CC(C)CC[C@H](N)C(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC001575556295 1191492102 /nfs/dbraw/zinc/49/21/02/1191492102.db2.gz WXYGLNWXQOMOBJ-KRWDZBQOSA-N 0 3 301.434 3.311 20 30 DGEDHN CC(C)CN(C(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC001575587602 1191494525 /nfs/dbraw/zinc/49/45/25/1191494525.db2.gz RQRGKWOJLYPTCU-CQSZACIVSA-N 0 3 307.825 3.350 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C2CCCC2)C1 ZINC001618678203 1193747752 /nfs/dbraw/zinc/74/77/52/1193747752.db2.gz VTDOESWLOHMAEQ-PBHICJAKSA-N 0 3 311.429 3.397 20 30 DGEDHN C#CC1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC001618792308 1193752459 /nfs/dbraw/zinc/75/24/59/1193752459.db2.gz TXCDMTVGSAUAHQ-UHFFFAOYSA-N 0 3 319.832 3.389 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC3(CCc4ccccc4C3)CC2)C1=O ZINC001619651496 1193760241 /nfs/dbraw/zinc/76/02/41/1193760241.db2.gz FJFFKRYMKRFGHQ-LJQANCHMSA-N 0 3 324.468 3.044 20 30 DGEDHN C=CC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001620213727 1193765772 /nfs/dbraw/zinc/76/57/72/1193765772.db2.gz BMYKGVMQFXPKKV-IEBWSBKVSA-N 0 3 323.440 3.342 20 30 DGEDHN CCCCC[C@@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC001620441454 1193768394 /nfs/dbraw/zinc/76/83/94/1193768394.db2.gz OOJXQSDCECPZEU-IAGOWNOFSA-N 0 3 307.482 3.429 20 30 DGEDHN Cc1cc(C#N)cc(NC2CCC(C)(N3CCOCC3)CC2)c1 ZINC001621390144 1193836713 /nfs/dbraw/zinc/83/67/13/1193836713.db2.gz KMGNDTNITNAZHW-UHFFFAOYSA-N 0 3 313.445 3.312 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc(Cl)s1 ZINC001626751219 1194093827 /nfs/dbraw/zinc/09/38/27/1194093827.db2.gz YVDOFZWSLFDXGQ-CLFYSBASSA-N 0 3 312.866 3.381 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC001628822129 1194198237 /nfs/dbraw/zinc/19/82/37/1194198237.db2.gz DDYSKWAAYAQPPP-SFHVURJKSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1c(C)cccc1C ZINC001635753473 1194569489 /nfs/dbraw/zinc/56/94/89/1194569489.db2.gz YLMDBGSFAXVRAP-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Sc1ccc(F)cc1 ZINC001635757947 1194570101 /nfs/dbraw/zinc/57/01/01/1194570101.db2.gz RJXNZXFSCJDGIT-CQSZACIVSA-N 0 3 324.465 3.273 20 30 DGEDHN C#CCN(C(=O)CN(C)C1CCC1)[C@@H]1CCCc2ccccc21 ZINC001635885392 1194577110 /nfs/dbraw/zinc/57/71/10/1194577110.db2.gz UJJLOZVTVJNBJL-LJQANCHMSA-N 0 3 310.441 3.010 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001637762909 1194684966 /nfs/dbraw/zinc/68/49/66/1194684966.db2.gz YTFXDSMNTUUGAQ-QGZVFWFLSA-N 0 3 315.461 3.305 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001638400496 1194716066 /nfs/dbraw/zinc/71/60/66/1194716066.db2.gz UCJFMHQCMPYSKF-SJLPKXTDSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001640016522 1194791457 /nfs/dbraw/zinc/79/14/57/1194791457.db2.gz YSPXVCZDLDKAKB-GDBMZVCRSA-N 0 3 322.399 3.035 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)cc2F)c(F)c1 ZINC001642609251 1194922879 /nfs/dbraw/zinc/92/28/79/1194922879.db2.gz KNXLUZHKCGZHJQ-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN Cc1ccc(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1C#N ZINC001643325452 1195016075 /nfs/dbraw/zinc/01/60/75/1195016075.db2.gz KUDLRSMNEZRDNW-IBGZPJMESA-N 0 3 314.429 3.420 20 30 DGEDHN C[C@@]1(NCCOc2ccccc2C#N)CCOc2ccccc21 ZINC001644636932 1195122408 /nfs/dbraw/zinc/12/24/08/1195122408.db2.gz RLSRMYAXDYOELN-LJQANCHMSA-N 0 3 308.381 3.225 20 30 DGEDHN CC#CCN(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001645477374 1195187289 /nfs/dbraw/zinc/18/72/89/1195187289.db2.gz KGDHLGCAPDQUHY-UHFFFAOYSA-N 0 3 316.445 3.427 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C2CCCCC2)C1 ZINC001647854615 1195259706 /nfs/dbraw/zinc/25/97/06/1195259706.db2.gz OOGNAPBPEVABIW-WMZOPIPTSA-N 0 3 319.493 3.287 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001648290312 1195289770 /nfs/dbraw/zinc/28/97/70/1195289770.db2.gz HLEXZGBKZABXNF-PBHICJAKSA-N 0 3 318.848 3.253 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC001648300351 1195290319 /nfs/dbraw/zinc/29/03/19/1195290319.db2.gz JYIGPLCMVRXUQS-OKILXGFUSA-N 0 3 311.372 3.352 20 30 DGEDHN C#CCN(CCOc1ccccc1C(=O)OC(C)(C)C)C(C)C ZINC001648397433 1195297509 /nfs/dbraw/zinc/29/75/09/1195297509.db2.gz DVNLICPUOBFXLP-UHFFFAOYSA-N 0 3 317.429 3.364 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@@H]1CC[C@@H](C#N)C1 ZINC001648588280 1195311185 /nfs/dbraw/zinc/31/11/85/1195311185.db2.gz YOXQMTNYXRJQKI-XYSPPFBYSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCNCc1cn(-c2cccc(Br)c2)nc1C ZINC001648733623 1195326211 /nfs/dbraw/zinc/32/62/11/1195326211.db2.gz VMDUJANUNPCUKU-UHFFFAOYSA-N 0 3 306.207 3.219 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc(F)ccc1C)c1ccccc1 ZINC001649442195 1195339477 /nfs/dbraw/zinc/33/94/77/1195339477.db2.gz FYMYVOZKZFJCLV-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccccc2F)[C@@H](C)C1 ZINC001649465018 1195345881 /nfs/dbraw/zinc/34/58/81/1195345881.db2.gz TZEQIMMGIHBDED-YOEHRIQHSA-N 0 3 304.409 3.119 20 30 DGEDHN CC[C@H](NCc1csc(C#N)c1)[C@@H](O)c1ccccc1F ZINC001650620916 1195364327 /nfs/dbraw/zinc/36/43/27/1195364327.db2.gz CJPPPRSETXPVKE-HOTGVXAUSA-N 0 3 304.390 3.361 20 30 DGEDHN CC[C@@H](NCc1csc(C#N)c1)[C@@H](O)c1ccccc1F ZINC001650620915 1195364667 /nfs/dbraw/zinc/36/46/67/1195364667.db2.gz CJPPPRSETXPVKE-CVEARBPZSA-N 0 3 304.390 3.361 20 30 DGEDHN C#Cc1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001651474750 1195467662 /nfs/dbraw/zinc/46/76/62/1195467662.db2.gz DSWKDKXKSNKXID-FQEVSTJZSA-N 0 3 301.393 3.396 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(N(C)C)n1 ZINC001653156538 1195693815 /nfs/dbraw/zinc/69/38/15/1195693815.db2.gz KPBQTBQPPUZKBN-UHFFFAOYSA-N 0 3 308.429 3.431 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001653916977 1195759645 /nfs/dbraw/zinc/75/96/45/1195759645.db2.gz WADUCBMZBVRDKF-ZIAGYGMSSA-N 0 3 303.324 3.420 20 30 DGEDHN C=CCCCCCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC001654004822 1195766312 /nfs/dbraw/zinc/76/63/12/1195766312.db2.gz SFHSTGXWNMWHIJ-UHFFFAOYSA-N 0 3 312.461 3.427 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC001654174931 1195781600 /nfs/dbraw/zinc/78/16/00/1195781600.db2.gz SZSRZIIDUFAIQS-KRWDZBQOSA-N 0 3 312.457 3.123 20 30 DGEDHN CN1CCN(Cc2ccc(C#N)c(F)c2)CC12CCCCC2 ZINC001654499448 1195810302 /nfs/dbraw/zinc/81/03/02/1195810302.db2.gz SUSVCHVKTUNFTB-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN C=CCC[C@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 ZINC001654997507 1195862531 /nfs/dbraw/zinc/86/25/31/1195862531.db2.gz VUDNOWOUDUGDQC-RDJZCZTQSA-N 0 3 314.429 3.057 20 30 DGEDHN C=CCCCN(CC)CC(=O)NC1(c2ccccc2)CCC1 ZINC001655014747 1195864887 /nfs/dbraw/zinc/86/48/87/1195864887.db2.gz RMKSYNOMWWUQAZ-UHFFFAOYSA-N 0 3 300.446 3.470 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@@H]1COC2(CCCCC2)O1 ZINC001655381732 1195910142 /nfs/dbraw/zinc/91/01/42/1195910142.db2.gz WAJGQFNIWSUFCX-GOSISDBHSA-N 0 3 314.429 3.108 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)CC1 ZINC001655406254 1195912592 /nfs/dbraw/zinc/91/25/92/1195912592.db2.gz HMPDJPAVODKEFV-AYBZRNKSSA-N 0 3 319.493 3.332 20 30 DGEDHN CCC[C@@](C)(NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC001655861769 1195970093 /nfs/dbraw/zinc/97/00/93/1195970093.db2.gz UYJBUMLDEREZIT-VQIMIIECSA-N 0 3 315.461 3.300 20 30 DGEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001656188021 1196015312 /nfs/dbraw/zinc/01/53/12/1196015312.db2.gz MNYAKIZQUQRMMG-XUXIUFHCSA-N 0 3 319.836 3.045 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@]2(C)OCC)ccc1OC ZINC001656665422 1196060092 /nfs/dbraw/zinc/06/00/92/1196060092.db2.gz VKGKZQNBTKRQPG-MSOLQXFVSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)[C@H]1CC ZINC001656752471 1196068896 /nfs/dbraw/zinc/06/88/96/1196068896.db2.gz HGMYWHNMCNTYRV-RWMBFGLXSA-N 0 3 306.372 3.120 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCc1cccc2ncccc12 ZINC001656913831 1196083078 /nfs/dbraw/zinc/08/30/78/1196083078.db2.gz CEANZEUJWIGXPN-UHFFFAOYSA-N 0 3 316.408 3.462 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)ccnc1Cl ZINC001657938959 1196195281 /nfs/dbraw/zinc/19/52/81/1196195281.db2.gz PNJADAUXMYRDFK-ZWNOBZJWSA-N 0 3 301.217 3.459 20 30 DGEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc(Br)cc1 ZINC001658042726 1196206725 /nfs/dbraw/zinc/20/67/25/1196206725.db2.gz JPAVFEQYVOYCBZ-AWEZNQCLSA-N 0 3 318.218 3.341 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc2c(cc1Cl)OCCO2 ZINC001658466555 1196260011 /nfs/dbraw/zinc/26/00/11/1196260011.db2.gz STSYQZGKCVXFSX-UHFFFAOYSA-N 0 3 324.852 3.051 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@](C)(NCC#Cc2ccccc2)C1 ZINC001658602451 1196278547 /nfs/dbraw/zinc/27/85/47/1196278547.db2.gz HGGGWMIDCXDFNY-IBGZPJMESA-N 0 3 314.429 3.027 20 30 DGEDHN C[C@@H](NC1COCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001658836067 1196307036 /nfs/dbraw/zinc/30/70/36/1196307036.db2.gz SWQQYGNZWMRUCX-OAHLLOKOSA-N 0 3 322.408 3.291 20 30 DGEDHN COC(=O)C1(c2ccc(CN3CCC[C@H](CC#N)C3)cc2)CC1 ZINC001659394387 1196378906 /nfs/dbraw/zinc/37/89/06/1196378906.db2.gz HJVCHTWBJYBGEQ-OAHLLOKOSA-N 0 3 312.413 3.017 20 30 DGEDHN CC(C)CSCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001659828949 1196418399 /nfs/dbraw/zinc/41/83/99/1196418399.db2.gz SSMIJLSWMKYIOB-UHFFFAOYSA-N 0 3 317.502 3.460 20 30 DGEDHN C=CCC1(C(=O)NCCCN(C)Cc2ccccn2)CCCC1 ZINC001660420410 1196481728 /nfs/dbraw/zinc/48/17/28/1196481728.db2.gz LZTYNFWEJKMYDM-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CCN(CCCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC001660501717 1196491849 /nfs/dbraw/zinc/49/18/49/1196491849.db2.gz FZASWKGFGLVGBE-KBPBESRZSA-N 0 3 321.852 3.389 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2CCC(C)(C)C#N ZINC001660591795 1196501339 /nfs/dbraw/zinc/50/13/39/1196501339.db2.gz JMXBYRCXHFJMME-UHFFFAOYSA-N 0 3 321.465 3.448 20 30 DGEDHN C=CC(C)(C)CCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001660648924 1196508646 /nfs/dbraw/zinc/50/86/46/1196508646.db2.gz MZFAIVJAWKJGPU-UHFFFAOYSA-N 0 3 308.378 3.391 20 30 DGEDHN C#CCN(Cc1ccc(OC(=O)CC)c(OCC)c1)C(C)C ZINC001660819322 1196529747 /nfs/dbraw/zinc/52/97/47/1196529747.db2.gz FELNQKUWLMAPBT-UHFFFAOYSA-N 0 3 303.402 3.244 20 30 DGEDHN COC(=O)[C@H](CNCc1ccc(C#N)cc1F)CC1CCCC1 ZINC001660860283 1196537454 /nfs/dbraw/zinc/53/74/54/1196537454.db2.gz XUUVYAFUNJJGMY-INIZCTEOSA-N 0 3 318.392 3.156 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)OCC2CC2)CC1 ZINC001661083000 1196562852 /nfs/dbraw/zinc/56/28/52/1196562852.db2.gz IVCWPJUYEMLINC-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)NC[C@H](N[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC001661111668 1196569073 /nfs/dbraw/zinc/56/90/73/1196569073.db2.gz DMTPCTLMDQTUCJ-PXAZEXFGSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1cc(C)ns1)C1CC1 ZINC001661162443 1196574903 /nfs/dbraw/zinc/57/49/03/1196574903.db2.gz JESXTMGYWFZHGC-NVXWUHKLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001661239743 1196587303 /nfs/dbraw/zinc/58/73/03/1196587303.db2.gz LIJIDOXVQSATAC-CWRNSKLLSA-N 0 3 302.418 3.232 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001661244996 1196588018 /nfs/dbraw/zinc/58/80/18/1196588018.db2.gz XFSNOWDLHXTYHT-HDICACEKSA-N 0 3 317.477 3.284 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)SC ZINC001661244847 1196588039 /nfs/dbraw/zinc/58/80/39/1196588039.db2.gz RZOHMGNLGQKZPV-WCVJEAGWSA-N 0 3 310.507 3.158 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001661257673 1196589923 /nfs/dbraw/zinc/58/99/23/1196589923.db2.gz LCXDDUYDFDTBMG-FLXSYLCISA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(F)(F)F ZINC001661276014 1196591235 /nfs/dbraw/zinc/59/12/35/1196591235.db2.gz PEBNLNKNGYVTHN-MCIONIFRSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001661399717 1196601709 /nfs/dbraw/zinc/60/17/09/1196601709.db2.gz WUBGEHGCXNMAEM-MRVWCRGKSA-N 0 3 308.372 3.229 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCC2CCCC2)C1 ZINC001661555795 1196618384 /nfs/dbraw/zinc/61/83/84/1196618384.db2.gz OIZSXMFHQKBJQB-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001661593358 1196622606 /nfs/dbraw/zinc/62/26/06/1196622606.db2.gz DGQLMPFLQIBZQZ-KFWWJZLASA-N 0 3 318.848 3.297 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001661636255 1196626604 /nfs/dbraw/zinc/62/66/04/1196626604.db2.gz IFLAEYKNSZXCBV-CALCHBBNSA-N 0 3 316.420 3.146 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001661673771 1196630334 /nfs/dbraw/zinc/63/03/34/1196630334.db2.gz INMQPKPWGAUBII-FPMFFAJLSA-N 0 3 300.874 3.438 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001661737999 1196639440 /nfs/dbraw/zinc/63/94/40/1196639440.db2.gz DRZMOYMIIVNZTQ-IRXDYDNUSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1coc2ccccc12 ZINC001661886612 1196658312 /nfs/dbraw/zinc/65/83/12/1196658312.db2.gz VZECSCOMDFLMCI-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCc1c(C)noc1C ZINC001661921955 1196662764 /nfs/dbraw/zinc/66/27/64/1196662764.db2.gz QYZNNGJRQZMKJT-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC(C)C ZINC001661976735 1196669089 /nfs/dbraw/zinc/66/90/89/1196669089.db2.gz GFOYNZLRQKESIG-QZTJIDSGSA-N 0 3 304.478 3.291 20 30 DGEDHN CCC[C@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001662350863 1196711404 /nfs/dbraw/zinc/71/14/04/1196711404.db2.gz OFBAUKORZKGFFL-BBRMVZONSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](CCC)c2ccccc2)C1 ZINC001662872202 1196765787 /nfs/dbraw/zinc/76/57/87/1196765787.db2.gz HQYXNIYVXHEBLP-RBUKOAKNSA-N 0 3 312.457 3.126 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC001662898216 1196770035 /nfs/dbraw/zinc/77/00/35/1196770035.db2.gz AURHGLQECTUDQC-STQMWFEESA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001663001022 1196781217 /nfs/dbraw/zinc/78/12/17/1196781217.db2.gz LVKWTHYWZZLIGF-VNQPRFMTSA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccccc1Cl ZINC001663007448 1196782774 /nfs/dbraw/zinc/78/27/74/1196782774.db2.gz CROCZMBRCRBJIJ-GFCCVEGCSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CCC1(F)F ZINC001663071411 1196789309 /nfs/dbraw/zinc/78/93/09/1196789309.db2.gz CDYUPVDVOFCVNB-QWHCGFSZSA-N 0 3 320.811 3.145 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccccc1CC ZINC001663283962 1196826054 /nfs/dbraw/zinc/82/60/54/1196826054.db2.gz GYQRWWZEAQVODY-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001663386059 1196853901 /nfs/dbraw/zinc/85/39/01/1196853901.db2.gz PIUPSLQZXKDFIK-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001663572983 1196906701 /nfs/dbraw/zinc/90/67/01/1196906701.db2.gz YMLPZAHJBGOXHK-HNNXBMFYSA-N 0 3 306.837 3.244 20 30 DGEDHN C=CCN(CCNC(=O)c1[nH]c2ccccc2c1Cl)C1CC1 ZINC001663735168 1196937358 /nfs/dbraw/zinc/93/73/58/1196937358.db2.gz NGNYWAIQASITRH-UHFFFAOYSA-N 0 3 317.820 3.202 20 30 DGEDHN Cc1cccc(C)c1C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001664205110 1196980055 /nfs/dbraw/zinc/98/00/55/1196980055.db2.gz QBLBOABSCBLNIS-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cocn1)c1ccc(C(C)C)cc1 ZINC001664561801 1197014266 /nfs/dbraw/zinc/01/42/66/1197014266.db2.gz NYVFVFXLTGKZIY-INIZCTEOSA-N 0 3 313.401 3.045 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CCc1ccoc1)c1ccccc1 ZINC001664574704 1197016141 /nfs/dbraw/zinc/01/61/41/1197016141.db2.gz ULTBPVJXAYNRTK-SFHVURJKSA-N 0 3 312.413 3.235 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC001664583241 1197016942 /nfs/dbraw/zinc/01/69/42/1197016942.db2.gz JMXKCQKZJFOHNK-NVXWUHKLSA-N 0 3 300.446 3.139 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001664685508 1197035699 /nfs/dbraw/zinc/03/56/99/1197035699.db2.gz CBYNBPSNFAHOTA-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC001665140648 1197101871 /nfs/dbraw/zinc/10/18/71/1197101871.db2.gz LYVIHQPGDFJFBK-HZPDHXFCSA-N 0 3 324.852 3.267 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CCc2ccccc2CC)C1 ZINC001665316804 1197122025 /nfs/dbraw/zinc/12/20/25/1197122025.db2.gz BSNVVXLDHAXMHS-UHFFFAOYSA-N 0 3 314.473 3.052 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001665320331 1197122165 /nfs/dbraw/zinc/12/21/65/1197122165.db2.gz ITUNGARZCHWEGA-INIZCTEOSA-N 0 3 300.446 3.145 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(OC)CCC1 ZINC001665382772 1197129974 /nfs/dbraw/zinc/12/99/74/1197129974.db2.gz YYDSVGCHEUZLEN-IRXDYDNUSA-N 0 3 322.493 3.201 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001665416816 1197134096 /nfs/dbraw/zinc/13/40/96/1197134096.db2.gz NGFZEOAKRQQQLP-HOTGVXAUSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1F ZINC001665425082 1197134693 /nfs/dbraw/zinc/13/46/93/1197134693.db2.gz HSOURORMIGJHPL-RDBSUJKOSA-N 0 3 320.383 3.218 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001665433298 1197136671 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C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001665737564 1197183665 /nfs/dbraw/zinc/18/36/65/1197183665.db2.gz KZOQRXSMDREPOS-IAGOWNOFSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001665794191 1197197696 /nfs/dbraw/zinc/19/76/96/1197197696.db2.gz UMTPKEYTKQDROR-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1ccccc1F ZINC001665793552 1197198022 /nfs/dbraw/zinc/19/80/22/1197198022.db2.gz PHAKKQMYIVWVHE-HNNXBMFYSA-N 0 3 306.425 3.412 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCC2(Br)CC2)C1 ZINC001665809770 1197200562 /nfs/dbraw/zinc/20/05/62/1197200562.db2.gz UQSZIEQVRYEHJG-UHFFFAOYSA-N 0 3 305.219 3.127 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001665828239 1197203222 /nfs/dbraw/zinc/20/32/22/1197203222.db2.gz LEOLVJLZQOWTKY-UMEYKSNOSA-N 0 3 310.441 3.045 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCC(F)(F)C2)CCCC1 ZINC001666763322 1197283433 /nfs/dbraw/zinc/28/34/33/1197283433.db2.gz BYIHHWYVYIUZPW-LBPRGKRZSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)c(C)n2)CCCC1 ZINC001666774949 1197284520 /nfs/dbraw/zinc/28/45/20/1197284520.db2.gz LHIZNVSKRKLXSO-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001666967924 1197303065 /nfs/dbraw/zinc/30/30/65/1197303065.db2.gz XWBLTNQGQJLBJR-LBPRGKRZSA-N 0 3 310.388 3.114 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cncc(C)c2)CCC1 ZINC001666987635 1197305810 /nfs/dbraw/zinc/30/58/10/1197305810.db2.gz LWFDTQLARLKTRV-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1CCC2(CC2)CC1)C(C)C ZINC001667478734 1197352345 /nfs/dbraw/zinc/35/23/45/1197352345.db2.gz QHIRWEAZDBTVEK-HNNXBMFYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1coc2ccc(C)cc12 ZINC001667575936 1197364276 /nfs/dbraw/zinc/36/42/76/1197364276.db2.gz ZBIZKKOWRJLODH-UHFFFAOYSA-N 0 3 314.429 3.250 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC001667585778 1197365493 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ZINC001668988248 1197436524 /nfs/dbraw/zinc/43/65/24/1197436524.db2.gz ANLAOGYWEMENIA-BQYQJAHWSA-N 0 3 316.420 3.090 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001669210121 1197443937 /nfs/dbraw/zinc/44/39/37/1197443937.db2.gz FNBMWKPLRBZJCM-KRWDZBQOSA-N 0 3 315.461 3.162 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CC1CCCCC1 ZINC001669237725 1197444855 /nfs/dbraw/zinc/44/48/55/1197444855.db2.gz KIDAZYIABVIEHV-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1cc(C)ccc1OC ZINC001669302520 1197448213 /nfs/dbraw/zinc/44/82/13/1197448213.db2.gz PPEQIXLQMDJXLH-OAHLLOKOSA-N 0 3 318.461 3.200 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](C)CNCc1cccnc1)c1ccccc1 ZINC001669478912 1197456922 /nfs/dbraw/zinc/45/69/22/1197456922.db2.gz VSSGQFUELFYPPD-AEFFLSMTSA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cnc(C)s2)CCCC1 ZINC001669757885 1197476506 /nfs/dbraw/zinc/47/65/06/1197476506.db2.gz DBQMTNRLWYTBJB-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@H](CC(=O)NC1(C)CCN(CC#CC)CC1)c1ccccc1 ZINC001671437159 1197540372 /nfs/dbraw/zinc/54/03/72/1197540372.db2.gz LJEWAEGKDPIGBL-GOSISDBHSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCN(C(=O)CC1CCC1)C1CCN(Cc2ccccc2)CC1 ZINC001671465428 1197542155 /nfs/dbraw/zinc/54/21/55/1197542155.db2.gz UFNLPZHRMJEOSD-UHFFFAOYSA-N 0 3 324.468 3.303 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(CC=C)CCC1)C2 ZINC001671598450 1197551035 /nfs/dbraw/zinc/55/10/35/1197551035.db2.gz LCKLFSJVDYJGSE-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCCCC(=O)N[C@@]1(C)CCN(CCOc2ccccc2)C1 ZINC001671666773 1197559453 /nfs/dbraw/zinc/55/94/53/1197559453.db2.gz JZKHCPCVMMQLFW-IBGZPJMESA-N 0 3 316.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001671700258 1197563809 /nfs/dbraw/zinc/56/38/09/1197563809.db2.gz SDDAWFDYODYSNK-BEFAXECRSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(C[C@@H](F)CC)C[C@H]21 ZINC001672558738 1197617233 /nfs/dbraw/zinc/61/72/33/1197617233.db2.gz 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CC(=O)N1CCCCC[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001689254480 1200069492 /nfs/dbraw/zinc/06/94/92/1200069492.db2.gz YIWNUAVXFBVEHD-SFHVURJKSA-N 0 3 318.848 3.072 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)Cc1ccccc1 ZINC001754024833 1200076374 /nfs/dbraw/zinc/07/63/74/1200076374.db2.gz YVGFQVCBIGWGHL-HIFRSBDPSA-N 0 3 308.853 3.102 20 30 DGEDHN C#CCNCCN(CC)C(=O)c1ccccc1-c1ccccc1 ZINC001754079676 1200097312 /nfs/dbraw/zinc/09/73/12/1200097312.db2.gz ADOWAUUDFYHIRF-UHFFFAOYSA-N 0 3 306.409 3.039 20 30 DGEDHN C=CCC[C@@H](C)NCc1nc2c(s1)CCN(C(=O)CCC)C2 ZINC001689355291 1200108293 /nfs/dbraw/zinc/10/82/93/1200108293.db2.gz RSBMEPGYTZDJCP-CYBMUJFWSA-N 0 3 321.490 3.272 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2CC2)cc1 ZINC001689413767 1200124628 /nfs/dbraw/zinc/12/46/28/1200124628.db2.gz JXPGYLIMPIHYLG-UXHICEINSA-N 0 3 322.452 3.266 20 30 DGEDHN CCC(C)(CC)C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001754207798 1200132293 /nfs/dbraw/zinc/13/22/93/1200132293.db2.gz GLHQTPUVOHAJQC-VOTSOKGWSA-N 0 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C#CCN1CCC(C)(CNC(=O)c2cccc(C)c2Cl)CC1 ZINC001754719848 1200462797 /nfs/dbraw/zinc/46/27/97/1200462797.db2.gz CSMBGOGZSOEAAI-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001690276966 1200473308 /nfs/dbraw/zinc/47/33/08/1200473308.db2.gz WMTOPSJDAJXQCG-SHTZXODSSA-N 0 3 304.409 3.165 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001754731305 1200475926 /nfs/dbraw/zinc/47/59/26/1200475926.db2.gz RKPITPLVFDRXHE-FQEVSTJZSA-N 0 3 323.440 3.023 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001690284798 1200476395 /nfs/dbraw/zinc/47/63/95/1200476395.db2.gz AEFHMGTUVGCXGC-XYPYZODXSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001690284923 1200477018 /nfs/dbraw/zinc/47/70/18/1200477018.db2.gz FXSFTUKJPZLSRC-HDJSIYSDSA-N 0 3 324.827 3.428 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001690286855 1200479019 /nfs/dbraw/zinc/47/90/19/1200479019.db2.gz GLOSJQGXGUFGMX-WKILWMFISA-N 0 3 304.409 3.227 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)C=C)c1ccccc1CC ZINC001754785395 1200487572 /nfs/dbraw/zinc/48/75/72/1200487572.db2.gz LBPRDOHAKDHGBK-SFHVURJKSA-N 0 3 312.457 3.231 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc[nH]c1)c1ccccc1CC ZINC001754785250 1200487650 /nfs/dbraw/zinc/48/76/50/1200487650.db2.gz KIGPNJKDNFMNLL-GOSISDBHSA-N 0 3 311.429 3.214 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001690353178 1200508268 /nfs/dbraw/zinc/50/82/68/1200508268.db2.gz CGQBKBOUSHSGTB-YUELXQCFSA-N 0 3 322.399 3.304 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1CCCCN1CC1=CCCCC1 ZINC001690446015 1200559123 /nfs/dbraw/zinc/55/91/23/1200559123.db2.gz IJEGDRLGPVXZCV-SFHVURJKSA-N 0 3 302.462 3.117 20 30 DGEDHN CCc1ccc(CN2CCCC[C@H]2CNC(=O)C#CC2CC2)cc1 ZINC001690445812 1200559230 /nfs/dbraw/zinc/55/92/30/1200559230.db2.gz DRRVGJZRVDHVEQ-FQEVSTJZSA-N 0 3 324.468 3.133 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001690450434 1200564983 /nfs/dbraw/zinc/56/49/83/1200564983.db2.gz JIQMAJJBPOKOCT-ROUUACIJSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001690454720 1200570386 /nfs/dbraw/zinc/57/03/86/1200570386.db2.gz LLRJEPUITPNKIM-QKLQHJQFSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001690487851 1200586114 /nfs/dbraw/zinc/58/61/14/1200586114.db2.gz ARXIACWOILNRGI-ZWKOTPCHSA-N 0 3 302.462 3.212 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCC2CCCC2)C1 ZINC001690492741 1200589802 /nfs/dbraw/zinc/58/98/02/1200589802.db2.gz UJNNFEWAKXJFFC-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccnc2C)C1 ZINC001690494617 1200591455 /nfs/dbraw/zinc/59/14/55/1200591455.db2.gz HUIKZRNCDLTUDM-WMZOPIPTSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001690497775 1200592583 /nfs/dbraw/zinc/59/25/83/1200592583.db2.gz BHACBJUMAYVQNP-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001755066787 1200622210 /nfs/dbraw/zinc/62/22/10/1200622210.db2.gz WCVQEEOJLGCVLI-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001755075470 1200629041 /nfs/dbraw/zinc/62/90/41/1200629041.db2.gz HHPQVHCFCQKMOA-AYOQOUSVSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001755075471 1200629769 /nfs/dbraw/zinc/62/97/69/1200629769.db2.gz HHPQVHCFCQKMOA-IPELMVKDSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)Cc3ccc[nH]3)cc2C1 ZINC001755101451 1200635862 /nfs/dbraw/zinc/63/58/62/1200635862.db2.gz GOMADCPOROQOKN-UHFFFAOYSA-N 0 3 323.440 3.155 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N[C@@H](C)c2ccccc2F)cc1 ZINC001690610257 1200646651 /nfs/dbraw/zinc/64/66/51/1200646651.db2.gz JVBAFFMJPBVMGC-CABCVRRESA-N 0 3 324.399 3.276 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C(C)(C)C1 ZINC001755143630 1200662910 /nfs/dbraw/zinc/66/29/10/1200662910.db2.gz MDSRKCGHGYBSCY-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2ccns2)[C@@H](C)C1 ZINC001755159292 1200665798 /nfs/dbraw/zinc/66/57/98/1200665798.db2.gz FWWQMLJIMKXQOK-LSDHHAIUSA-N 0 3 321.490 3.011 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c[nH]c2ccc(C)cc21 ZINC001755202872 1200700552 /nfs/dbraw/zinc/70/05/52/1200700552.db2.gz NEIGGKVZCCBDPG-OAHLLOKOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc(C)cc21 ZINC001755202871 1200700932 /nfs/dbraw/zinc/70/09/32/1200700932.db2.gz NEIGGKVZCCBDPG-HNNXBMFYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001755218136 1200707943 /nfs/dbraw/zinc/70/79/43/1200707943.db2.gz OBVPOWQXPAJLQZ-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2c(c1)CCC2 ZINC001690877940 1200760556 /nfs/dbraw/zinc/76/05/56/1200760556.db2.gz MYUMRLUOCRYCJA-ZDUSSCGKSA-N 0 3 306.837 3.026 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1sccc1C1CC1 ZINC001690878422 1200760959 /nfs/dbraw/zinc/76/09/59/1200760959.db2.gz YVRHCWYZJIELOS-LLVKDONJSA-N 0 3 312.866 3.476 20 30 DGEDHN C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001690887200 1200765826 /nfs/dbraw/zinc/76/58/26/1200765826.db2.gz BSUFWBNZJAMLRS-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001690887200 1200765831 /nfs/dbraw/zinc/76/58/31/1200765831.db2.gz BSUFWBNZJAMLRS-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN CC(C)C(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001690887062 1200765939 /nfs/dbraw/zinc/76/59/39/1200765939.db2.gz AXXGEESWWXLFHQ-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cnccc1C ZINC001690893457 1200772318 /nfs/dbraw/zinc/77/23/18/1200772318.db2.gz VMRQJACQYHAOQU-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)CCc1ccccc1Cl ZINC001690945368 1200800374 /nfs/dbraw/zinc/80/03/74/1200800374.db2.gz SIDWXJDWHWOBME-UHFFFAOYSA-N 0 3 308.853 3.287 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001690945434 1200801913 /nfs/dbraw/zinc/80/19/13/1200801913.db2.gz VVNMQDIFYHIVBX-OAHLLOKOSA-N 0 3 304.434 3.161 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccccc1COC)c1ccccc1 ZINC001691787079 1200807860 /nfs/dbraw/zinc/80/78/60/1200807860.db2.gz JWLZECIHQYPDED-IBGZPJMESA-N 0 3 324.424 3.080 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC001691799992 1200812352 /nfs/dbraw/zinc/81/23/52/1200812352.db2.gz FFTMLYNHEHVRCD-CRAIPNDOSA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)/C=C/c2ccc[nH]2)CCCCC1 ZINC001755349572 1200833788 /nfs/dbraw/zinc/83/37/88/1200833788.db2.gz APNLAAHYIKWFQI-BQYQJAHWSA-N 0 3 321.852 3.189 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001755369179 1200857260 /nfs/dbraw/zinc/85/72/60/1200857260.db2.gz VYEGWBVSKGWVKG-ZBFHGGJFSA-N 0 3 306.475 3.398 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001755391279 1200873879 /nfs/dbraw/zinc/87/38/79/1200873879.db2.gz CNJFVLDXSRUCGL-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001755600628 1200980568 /nfs/dbraw/zinc/98/05/68/1200980568.db2.gz QVRSMYUYGIXSMU-QGZVFWFLSA-N 0 3 312.457 3.077 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001755611448 1200989849 /nfs/dbraw/zinc/98/98/49/1200989849.db2.gz PODIAELYBDXIQY-PKOBYXMFSA-N 0 3 314.473 3.301 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001755616631 1200992044 /nfs/dbraw/zinc/99/20/44/1200992044.db2.gz VETLOZDFRWBAPJ-AWEZNQCLSA-N 0 3 320.502 3.336 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001692260723 1200994315 /nfs/dbraw/zinc/99/43/15/1200994315.db2.gz OZOPEYBEYYPCTJ-IJXRJRJASA-N 0 3 324.468 3.071 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccco2)CC(C)(C)C1 ZINC001692280082 1201001818 /nfs/dbraw/zinc/00/18/18/1201001818.db2.gz OFBFHTYTVGFYRO-CVEARBPZSA-N 0 3 316.445 3.013 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2ncccc2C)C[C@@H]1C ZINC001755677452 1201010642 /nfs/dbraw/zinc/01/06/42/1201010642.db2.gz XWNFQMQFVNMWRP-HOTGVXAUSA-N 0 3 315.461 3.071 20 30 DGEDHN CC(C)=CC(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001755695352 1201022339 /nfs/dbraw/zinc/02/23/39/1201022339.db2.gz SXJBRXKTTLAQKO-QUCCMNQESA-N 0 3 323.440 3.138 20 30 DGEDHN C/C=C(\C)C(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001755697852 1201024540 /nfs/dbraw/zinc/02/45/40/1201024540.db2.gz CBWRZNCZUISVFS-MUNHBCDVSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC001755713664 1201034314 /nfs/dbraw/zinc/03/43/14/1201034314.db2.gz BUUADUQNRPDNCY-JSGCOSHPSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@@H]1C ZINC001755715363 1201036126 /nfs/dbraw/zinc/03/61/26/1201036126.db2.gz YDAWEKCIZLZHJD-AEFFLSMTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC001692363261 1201037894 /nfs/dbraw/zinc/03/78/94/1201037894.db2.gz CPDNHNRYCMKHTE-KGLIPLIRSA-N 0 3 307.463 3.082 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCC2 ZINC001692376017 1201042689 /nfs/dbraw/zinc/04/26/89/1201042689.db2.gz CXWQICRTSHVENB-YESZJQIVSA-N 0 3 304.478 3.432 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)C=C(C)C)Cc1ccccc1 ZINC001755722302 1201044463 /nfs/dbraw/zinc/04/44/63/1201044463.db2.gz HURGLOBOHXDNKE-QGZVFWFLSA-N 0 3 320.864 3.412 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sc(C)nc2C)[C@@H]1C ZINC001755722783 1201044980 /nfs/dbraw/zinc/04/49/80/1201044980.db2.gz TWUXVLUTHLMPEA-DZGCQCFKSA-N 0 3 321.490 3.309 20 30 DGEDHN CCc1cccc(CN(C)CCN(C(=O)[C@H](C)C#N)C(C)C)c1 ZINC001755809518 1201070327 /nfs/dbraw/zinc/07/03/27/1201070327.db2.gz SHUZULIAGZAXKW-MRXNPFEDSA-N 0 3 315.461 3.077 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1cccc(F)c1F)C(C)C ZINC001755814930 1201080518 /nfs/dbraw/zinc/08/05/18/1201080518.db2.gz UOTJNOLYDFLCOP-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cncc2ccccc21)C(C)C ZINC001755815682 1201081870 /nfs/dbraw/zinc/08/18/70/1201081870.db2.gz RSPXBIKNDZOIMX-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(F)cc1Cl)C(C)C ZINC001755817468 1201084151 /nfs/dbraw/zinc/08/41/51/1201084151.db2.gz MXBPFOOMZRKHGH-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C#CCCN(C)CCN(C(=O)Cc1ccc(C)c(C)c1)C(C)C ZINC001755817611 1201084175 /nfs/dbraw/zinc/08/41/75/1201084175.db2.gz RPEUMJXGAAYMCM-UHFFFAOYSA-N 0 3 314.473 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001755831526 1201094481 /nfs/dbraw/zinc/09/44/81/1201094481.db2.gz YQEFAXWPAIHFLJ-OAHLLOKOSA-N 0 3 321.440 3.053 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)cc1 ZINC001698559680 1201230154 /nfs/dbraw/zinc/23/01/54/1201230154.db2.gz PYIOGWQSXJKAQJ-QAPCUYQASA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001698578597 1201253147 /nfs/dbraw/zinc/25/31/47/1201253147.db2.gz WCDJQHBKEGDHSC-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C/C=C/Cc2ccccc2)C1 ZINC001698583916 1201257467 /nfs/dbraw/zinc/25/74/67/1201257467.db2.gz XVRDZGBGAOBUHG-SGQUHAKNSA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2cc(C)cc(C)c2)C1 ZINC001698587991 1201263680 /nfs/dbraw/zinc/26/36/80/1201263680.db2.gz MDXDDZSNHMNVQT-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN CC[C@@H](CNC(=O)c1cc(C)oc1C)NCC#Cc1ccccc1 ZINC001698591657 1201266583 /nfs/dbraw/zinc/26/65/83/1201266583.db2.gz TWOCTLGIRZJWRT-SFHVURJKSA-N 0 3 324.424 3.046 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)N[C@H](C)c1ccccc1F ZINC001698596066 1201268608 /nfs/dbraw/zinc/26/86/08/1201268608.db2.gz ILIQMBIJMPUZPM-HUUCEWRRSA-N 0 3 318.436 3.421 20 30 DGEDHN C=C(C)C[NH2+]C[C@]1(NC(=O)c2ccccc2[O-])CCCC[C@@H]1C ZINC001698657203 1201321845 /nfs/dbraw/zinc/32/18/45/1201321845.db2.gz OUBCTVLZMBEGQS-HNAYVOBHSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001698668886 1201327165 /nfs/dbraw/zinc/32/71/65/1201327165.db2.gz KVPPOLPOZZWMLV-NCOADZHNSA-N 0 3 324.896 3.393 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001698759585 1201395879 /nfs/dbraw/zinc/39/58/79/1201395879.db2.gz GFXUNBWWSHBJRF-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN CCCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001698816951 1201462020 /nfs/dbraw/zinc/46/20/20/1201462020.db2.gz DHQXXLSVSRKVSZ-HNNXBMFYSA-N 0 3 320.864 3.318 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ccccc1C#N ZINC001699023402 1201689237 /nfs/dbraw/zinc/68/92/37/1201689237.db2.gz ZKKQJJXEDOXMNZ-QZTJIDSGSA-N 0 3 313.445 3.123 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001750946172 1201734016 /nfs/dbraw/zinc/73/40/16/1201734016.db2.gz BYDQRNOBADTAEJ-HMZQOCAUSA-N 0 3 310.869 3.005 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(CCC)s1)C1CC1 ZINC001752262152 1201815058 /nfs/dbraw/zinc/81/50/58/1201815058.db2.gz VJVSVBKHZQUUSR-UHFFFAOYSA-N 0 3 318.486 3.308 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001752282934 1201817145 /nfs/dbraw/zinc/81/71/45/1201817145.db2.gz ABORFIHVIKHRMS-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC001752400432 1201833623 /nfs/dbraw/zinc/83/36/23/1201833623.db2.gz VKLCTNXKMBGLPC-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001752435304 1201837668 /nfs/dbraw/zinc/83/76/68/1201837668.db2.gz PKEQQISHRIKBKD-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001752434565 1201838125 /nfs/dbraw/zinc/83/81/25/1201838125.db2.gz GZUUADHAQKKSCX-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC001752524110 1201868487 /nfs/dbraw/zinc/86/84/87/1201868487.db2.gz AHJCCXWLVZZPIS-OAGGEKHMSA-N 0 3 316.420 3.469 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H](NC/C=C/Cl)C2)CCCCC1 ZINC001752593462 1201875222 /nfs/dbraw/zinc/87/52/22/1201875222.db2.gz GEIHMRBEYVCCED-WGPYJDKQSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001752768067 1201910686 /nfs/dbraw/zinc/91/06/86/1201910686.db2.gz CICZLAXTHMYBBJ-CWRNSKLLSA-N 0 3 320.864 3.478 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001752786172 1201921373 /nfs/dbraw/zinc/92/13/73/1201921373.db2.gz MIYXPJOOPHADFW-IEBWSBKVSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001699541200 1201941544 /nfs/dbraw/zinc/94/15/44/1201941544.db2.gz CNEJHZZWZVQBKE-MRXNPFEDSA-N 0 3 320.864 3.297 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001752822894 1201950742 /nfs/dbraw/zinc/95/07/42/1201950742.db2.gz QDBXDNYFRXVMLO-CABCVRRESA-N 0 3 306.475 3.398 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](CC=C)c1ccccc1 ZINC001752824953 1201954023 /nfs/dbraw/zinc/95/40/23/1201954023.db2.gz IIMXXDATBWAGPC-PMACEKPBSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001752835074 1201961178 /nfs/dbraw/zinc/96/11/78/1201961178.db2.gz AXPFJFFCPBHZNM-IAGOWNOFSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CCCCC)C1 ZINC001752839713 1201962437 /nfs/dbraw/zinc/96/24/37/1201962437.db2.gz DIFFIYMOQBOUNR-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001752877230 1201990231 /nfs/dbraw/zinc/99/02/31/1201990231.db2.gz PLWQKHSLMWBAQO-QWHCGFSZSA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001752891150 1201996452 /nfs/dbraw/zinc/99/64/52/1201996452.db2.gz DYUHNTJZTYOCDP-OAHLLOKOSA-N 0 3 318.461 3.200 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001699636282 1202001962 /nfs/dbraw/zinc/00/19/62/1202001962.db2.gz YYJLHVBVDVWNFU-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001699647037 1202012085 /nfs/dbraw/zinc/01/20/85/1202012085.db2.gz HTVNEXWEOXBMTA-MRXNPFEDSA-N 0 3 302.393 3.018 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccc(OC)cc2)CC1 ZINC001699664138 1202022803 /nfs/dbraw/zinc/02/28/03/1202022803.db2.gz XRNJAGXZBLPNOF-SFHVURJKSA-N 0 3 316.445 3.036 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001699693416 1202036776 /nfs/dbraw/zinc/03/67/76/1202036776.db2.gz PFCISZKNBXMWEC-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2scnc2c1 ZINC001753017722 1202062547 /nfs/dbraw/zinc/06/25/47/1202062547.db2.gz WXJGNEKPYVHZEY-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1cccc(Cl)n1 ZINC001699759010 1202067683 /nfs/dbraw/zinc/06/76/83/1202067683.db2.gz ZHKZWAPHGFPXOI-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C[C@@H]1C[C@H]1C(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001753031816 1202069581 /nfs/dbraw/zinc/06/95/81/1202069581.db2.gz CINMVHCNWZSAKJ-YZGWKJHDSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cc3ccccc3o2)CC1 ZINC001699770805 1202074012 /nfs/dbraw/zinc/07/40/12/1202074012.db2.gz WKOFZXBNWQUOKJ-UHFFFAOYSA-N 0 3 312.413 3.132 20 30 DGEDHN C#CCNC[C@H](NC(=O)c1ccco1)c1ccc2ccccc2c1 ZINC001699789468 1202079358 /nfs/dbraw/zinc/07/93/58/1202079358.db2.gz PXMBCEZTGMDQOS-SFHVURJKSA-N 0 3 318.376 3.127 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001699862492 1202118535 /nfs/dbraw/zinc/11/85/35/1202118535.db2.gz WOIUOHSAZHAOJH-APWZRJJASA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001699877288 1202133922 /nfs/dbraw/zinc/13/39/22/1202133922.db2.gz UXRFOCSJXQNKCV-UKRRQHHQSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1c[nH]cc1C)c1ccccc1CC ZINC001699930007 1202138817 /nfs/dbraw/zinc/13/88/17/1202138817.db2.gz DKYPJHXLNKQKAX-GOSISDBHSA-N 0 3 311.429 3.132 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccco1)c1ccccc1CC ZINC001699936659 1202141256 /nfs/dbraw/zinc/14/12/56/1202141256.db2.gz XNBZGBLCMFKHEP-KRWDZBQOSA-N 0 3 312.413 3.479 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001753114559 1202143318 /nfs/dbraw/zinc/14/33/18/1202143318.db2.gz RKFTZRUEMYWDTL-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001753115827 1202145894 /nfs/dbraw/zinc/14/58/94/1202145894.db2.gz ZTEKREMIQXOCEO-YJBOKZPZSA-N 0 3 300.446 3.119 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(CC)CC ZINC001699981236 1202156463 /nfs/dbraw/zinc/15/64/63/1202156463.db2.gz YDCTYGFRWREAII-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(CC(C)C)s1 ZINC001753144652 1202163216 /nfs/dbraw/zinc/16/32/16/1202163216.db2.gz DGEOPBTWYKCZEY-UHFFFAOYSA-N 0 3 320.502 3.412 20 30 DGEDHN CCCN(C/C=C\c1ccccc1)CCNC(=O)C#CC(C)C ZINC001753144312 1202163227 /nfs/dbraw/zinc/16/32/27/1202163227.db2.gz RKBTUPDPKKTZEH-FLIBITNWSA-N 0 3 312.457 3.187 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001700019441 1202166840 /nfs/dbraw/zinc/16/68/40/1202166840.db2.gz LOEGBIYWUBAUIY-FGTMMUONSA-N 0 3 318.505 3.395 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001753149237 1202167358 /nfs/dbraw/zinc/16/73/58/1202167358.db2.gz WOTSSMPEAMKQSX-IYARVYRRSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc(Cl)ccc1Cl ZINC001753150006 1202167785 /nfs/dbraw/zinc/16/77/85/1202167785.db2.gz YMFBNCBTLMWQJN-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001700061155 1202170506 /nfs/dbraw/zinc/17/05/06/1202170506.db2.gz QAUTWSKMHGHZQW-DZGCQCFKSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)Cc1ccoc1 ZINC001700092576 1202178405 /nfs/dbraw/zinc/17/84/05/1202178405.db2.gz YSDDVNHQULEKTC-UHFFFAOYSA-N 0 3 312.413 3.146 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC2(C)C)cc1 ZINC001700095189 1202179442 /nfs/dbraw/zinc/17/94/42/1202179442.db2.gz UFPLLFINOPBZKC-YJBOKZPZSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2c(C)cccc2F)cc1 ZINC001700099838 1202181167 /nfs/dbraw/zinc/18/11/67/1202181167.db2.gz QZUPEHGNOZBMCA-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN CC#CCCCC(=O)N(C)CCNCc1ccc(Cl)s1 ZINC001753220782 1202184678 /nfs/dbraw/zinc/18/46/78/1202184678.db2.gz WADSTUUZNUKNEA-UHFFFAOYSA-N 0 3 312.866 3.143 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cnccc2C)CCC1 ZINC001700136655 1202189707 /nfs/dbraw/zinc/18/97/07/1202189707.db2.gz HOTLNYYFIAARDV-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)n1cccc1)c1ccccc1 ZINC001753297875 1202199330 /nfs/dbraw/zinc/19/93/30/1202199330.db2.gz UMMBNDJQLVBACA-SJLPKXTDSA-N 0 3 311.429 3.072 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001753306543 1202202331 /nfs/dbraw/zinc/20/23/31/1202202331.db2.gz AQLFMMDQEKGPIL-BHYGNILZSA-N 0 3 308.441 3.178 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(Cc2cncs2)C1 ZINC001753336967 1202216981 /nfs/dbraw/zinc/21/69/81/1202216981.db2.gz DIJAIWVHRULVNW-CQSZACIVSA-N 0 3 321.490 3.074 20 30 DGEDHN CC1(C(=O)NCC[C@@H]2CCN(CC#Cc3ccccc3)C2)CCC1 ZINC001753336057 1202217530 /nfs/dbraw/zinc/21/75/30/1202217530.db2.gz YVNNTEFGPHKMMK-LJQANCHMSA-N 0 3 324.468 3.057 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001700290501 1202227487 /nfs/dbraw/zinc/22/74/87/1202227487.db2.gz PAYLEKRDDCWAPB-LBPRGKRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCCCC(=O)NCC1CN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001753400976 1202241700 /nfs/dbraw/zinc/24/17/00/1202241700.db2.gz OWTTZVHEDQMRDH-INIZCTEOSA-N 0 3 324.468 3.088 20 30 DGEDHN C#CCCCCCC(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001753408201 1202244134 /nfs/dbraw/zinc/24/41/34/1202244134.db2.gz IHSWGPGZELREDE-KRWDZBQOSA-N 0 3 312.457 3.379 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001753420869 1202248428 /nfs/dbraw/zinc/24/84/28/1202248428.db2.gz NLTWHECJGLJDJX-BZSNNMDCSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001753425345 1202248969 /nfs/dbraw/zinc/24/89/69/1202248969.db2.gz NNBBQNVDSWGEAR-OKYOBFRVSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccccc1OC(C)C ZINC001700363519 1202251510 /nfs/dbraw/zinc/25/15/10/1202251510.db2.gz KNMURNLBIGIPKX-INIZCTEOSA-N 0 3 316.445 3.196 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(Cc3ccccc3)CC2)C1 ZINC001753439046 1202254583 /nfs/dbraw/zinc/25/45/83/1202254583.db2.gz JXINHLRALUNDDW-GOSISDBHSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C/C=C/Cc2ccccc2)C1 ZINC001753439467 1202255018 /nfs/dbraw/zinc/25/50/18/1202255018.db2.gz ONNBVQCFHRYRBA-UCFODXPJSA-N 0 3 312.457 3.284 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1)CC ZINC001700389477 1202258884 /nfs/dbraw/zinc/25/88/84/1202258884.db2.gz ARGLHGKCVAKMRY-IAGOWNOFSA-N 0 3 312.457 3.267 20 30 DGEDHN CCN(C(=O)C#CC(C)(C)C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001753454805 1202262003 /nfs/dbraw/zinc/26/20/03/1202262003.db2.gz DCTBRFPFLQIGEZ-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001700399622 1202262534 /nfs/dbraw/zinc/26/25/34/1202262534.db2.gz FTIIBSHVDPTTQW-DLBZAZTESA-N 0 3 314.473 3.347 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2cc(C)ns2)CCC1 ZINC001700419013 1202267571 /nfs/dbraw/zinc/26/75/71/1202267571.db2.gz MJJDBIWHLDZHOX-ZIAGYGMSSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2cc(C)ns2)CCC1 ZINC001700419008 1202267623 /nfs/dbraw/zinc/26/76/23/1202267623.db2.gz MJJDBIWHLDZHOX-KGLIPLIRSA-N 0 3 321.490 3.181 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)NCc1sccc1Cl ZINC001753473599 1202268457 /nfs/dbraw/zinc/26/84/57/1202268457.db2.gz UHDARBYMZGONFT-LBPRGKRZSA-N 0 3 312.866 3.189 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1ccc(Cl)nc1 ZINC001753474848 1202268795 /nfs/dbraw/zinc/26/87/95/1202268795.db2.gz FFBUEACXCGAPGK-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN CCCC1(C(=O)NC[C@H](CC)NCC#Cc2ccccc2)CC1 ZINC001753489269 1202273362 /nfs/dbraw/zinc/27/33/62/1202273362.db2.gz JONIYRBCANRAIV-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001753489110 1202273379 /nfs/dbraw/zinc/27/33/79/1202273379.db2.gz HFEVYROGLARYEH-XJKCOSOUSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001753507374 1202278766 /nfs/dbraw/zinc/27/87/66/1202278766.db2.gz VCVYWRXLOIPTJV-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001700459636 1202281117 /nfs/dbraw/zinc/28/11/17/1202281117.db2.gz GYBSDBCDEBKUDC-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(OC)c1 ZINC001700460027 1202281437 /nfs/dbraw/zinc/28/14/37/1202281437.db2.gz KDZYWZSSEGYYOZ-INIZCTEOSA-N 0 3 318.461 3.296 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2nc(C)sc2C)CC1 ZINC001753579249 1202291225 /nfs/dbraw/zinc/29/12/25/1202291225.db2.gz PAAHVFGYOVIHIF-SHTZXODSSA-N 0 3 321.490 3.243 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001753585697 1202293310 /nfs/dbraw/zinc/29/33/10/1202293310.db2.gz NPRSRGJPQLVLJI-BZUAXINKSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2cccc(CC)c2)C1 ZINC001700529929 1202307125 /nfs/dbraw/zinc/30/71/25/1202307125.db2.gz BPUANGMCUPNVRU-HNNXBMFYSA-N 0 3 300.446 3.152 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001700547901 1202311422 /nfs/dbraw/zinc/31/14/22/1202311422.db2.gz ZWNOFAVBTCVTIR-APWZRJJASA-N 0 3 314.473 3.439 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCc2cccc(Cl)c2)C1 ZINC001700548391 1202311675 /nfs/dbraw/zinc/31/16/75/1202311675.db2.gz KZMIRYJLRZRPQI-AWEZNQCLSA-N 0 3 320.864 3.285 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C(C)(C)CC(C)C)C[C@]2(C)C1 ZINC001700623858 1202324719 /nfs/dbraw/zinc/32/47/19/1202324719.db2.gz NECQUWZZJLRVEU-BGYRXZFFSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001753744913 1202327504 /nfs/dbraw/zinc/32/75/04/1202327504.db2.gz QJKHXRGUFFWKFR-QGZVFWFLSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001700643129 1202327799 /nfs/dbraw/zinc/32/77/99/1202327799.db2.gz CIQRPLLTQHVLHU-AULYBMBSSA-N 0 3 324.877 3.476 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001700820444 1202355708 /nfs/dbraw/zinc/35/57/08/1202355708.db2.gz CFYAZFVMMZCIBT-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCc3ccccc3)CCC[C@H]12 ZINC001700864135 1202361422 /nfs/dbraw/zinc/36/14/22/1202361422.db2.gz QYMUTGNWEQZHOO-FPOVZHCZSA-N 0 3 324.468 3.146 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccsc2)[C@H]1C ZINC001700876682 1202363273 /nfs/dbraw/zinc/36/32/73/1202363273.db2.gz MNBXLWGPHVHZBX-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCOCCC(C)C)[C@H]1C ZINC001700880418 1202364729 /nfs/dbraw/zinc/36/47/29/1202364729.db2.gz LWTCNLWKBNYBGI-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cccc(F)c2F)[C@@H]1C ZINC001700884863 1202365734 /nfs/dbraw/zinc/36/57/34/1202365734.db2.gz JMLOMFFJPBXLEG-XJKSGUPXSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C(C)(C)C1 ZINC001700912655 1202369151 /nfs/dbraw/zinc/36/91/51/1202369151.db2.gz PCHJREUKFPFZDI-INIZCTEOSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CCc2ccccc21)C(C)C ZINC001700975125 1202374753 /nfs/dbraw/zinc/37/47/53/1202374753.db2.gz KGDSHPGFLRTHBA-GOSISDBHSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2nc(C)oc2c1)C(C)C ZINC001700977416 1202375161 /nfs/dbraw/zinc/37/51/61/1202375161.db2.gz PDWNUXHXJPSBOY-UHFFFAOYSA-N 0 3 315.417 3.105 20 30 DGEDHN CCCC(=O)N[C@@H](CNCC#Cc1ccc(F)cc1)C(C)(C)C ZINC001700979244 1202375581 /nfs/dbraw/zinc/37/55/81/1202375581.db2.gz BMPVYDQNQIFDTR-KRWDZBQOSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C)CCOC ZINC001701002994 1202379699 /nfs/dbraw/zinc/37/96/99/1202379699.db2.gz LMOQAEVWRRWMLI-LPHOPBHVSA-N 0 3 324.509 3.090 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC001701008403 1202380351 /nfs/dbraw/zinc/38/03/51/1202380351.db2.gz KVGSOVLXGOYMPL-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN CCCCCC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001701014183 1202381479 /nfs/dbraw/zinc/38/14/79/1202381479.db2.gz PUBHEHDEMHRZDM-UHFFFAOYSA-N 0 3 312.457 3.197 20 30 DGEDHN CC(C)C#CC(=O)N(C)C1CC(N[C@H](C)c2ccccc2F)C1 ZINC001701018365 1202382025 /nfs/dbraw/zinc/38/20/25/1202382025.db2.gz OBQGJFHWLFZSQC-QQFBHYJXSA-N 0 3 316.420 3.125 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C(C)=C3CCCC3)CC2)CC1 ZINC001701032475 1202383934 /nfs/dbraw/zinc/38/39/34/1202383934.db2.gz ZYLVUNQJTSKTEW-UHFFFAOYSA-N 0 3 314.473 3.261 20 30 DGEDHN C=CCCCn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001705811349 1202566331 /nfs/dbraw/zinc/56/63/31/1202566331.db2.gz WJDJFIUYNUDVQU-CVEARBPZSA-N 0 3 319.497 3.287 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001707049453 1202568938 /nfs/dbraw/zinc/56/89/38/1202568938.db2.gz AGFLHUPMCKXMEB-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001707047867 1202569080 /nfs/dbraw/zinc/56/90/80/1202569080.db2.gz PYXWXUPCPUJWSL-QGZVFWFLSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccsc1 ZINC001707051059 1202569338 /nfs/dbraw/zinc/56/93/38/1202569338.db2.gz GANACVUKZKOBEI-GDBMZVCRSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001707055417 1202569962 /nfs/dbraw/zinc/56/99/62/1202569962.db2.gz SHXFGTDDPYFADB-UKRRQHHQSA-N 0 3 319.449 3.046 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001707074236 1202571850 /nfs/dbraw/zinc/57/18/50/1202571850.db2.gz JBBOJNJNRXSKGZ-LZWOXQAQSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(Cl)cc2)[C@H]1CC ZINC001707196096 1202576154 /nfs/dbraw/zinc/57/61/54/1202576154.db2.gz BBFJFNFDNYTCMN-DLBZAZTESA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001707215295 1202576628 /nfs/dbraw/zinc/57/66/28/1202576628.db2.gz ANEYOEKPECCXJE-WBVHZDCISA-N 0 3 316.420 3.072 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@H](NCc2cncc(F)c2)C1 ZINC001707235074 1202577296 /nfs/dbraw/zinc/57/72/96/1202577296.db2.gz QSNXZOYBTJZXBC-KRWDZBQOSA-N 0 3 319.424 3.048 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001707437402 1202584722 /nfs/dbraw/zinc/58/47/22/1202584722.db2.gz HOWSMGNCPLBWDF-KBPBESRZSA-N 0 3 316.848 3.238 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1occc1C ZINC001707441513 1202585041 /nfs/dbraw/zinc/58/50/41/1202585041.db2.gz MHJZXIUQOBRPBA-CABCVRRESA-N 0 3 324.852 3.242 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1occc1C ZINC001707441521 1202585050 /nfs/dbraw/zinc/58/50/50/1202585050.db2.gz MHJZXIUQOBRPBA-LSDHHAIUSA-N 0 3 324.852 3.242 20 30 DGEDHN C=C(Br)CN[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000151938209 1202593436 /nfs/dbraw/zinc/59/34/36/1202593436.db2.gz DCZMFZKPBCAEIO-WFASDCNBSA-N 0 3 309.251 3.005 20 30 DGEDHN C=C(Br)CN[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000151937983 1202593519 /nfs/dbraw/zinc/59/35/19/1202593519.db2.gz IKWXXZJDZJTCOY-HIFRSBDPSA-N 0 3 309.251 3.320 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001713000614 1202609248 /nfs/dbraw/zinc/60/92/48/1202609248.db2.gz UGPROQHBJMCHBI-OWYFMNJBSA-N 0 3 310.869 3.144 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C1(C)CC=CC1 ZINC001713020908 1202610791 /nfs/dbraw/zinc/61/07/91/1202610791.db2.gz DZLOFQXJSVAODH-UHFFFAOYSA-N 0 3 324.468 3.223 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCCC[C@H]1CC)C1CC1 ZINC001713047361 1202612558 /nfs/dbraw/zinc/61/25/58/1202612558.db2.gz MTSHMSQKZRKYCD-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001713061635 1202614037 /nfs/dbraw/zinc/61/40/37/1202614037.db2.gz WWSKWTLNLSLOSZ-CQSZACIVSA-N 0 3 306.475 3.471 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCCN([C@H](C)COC)C2)CCCCC1 ZINC001713063282 1202614400 /nfs/dbraw/zinc/61/44/00/1202614400.db2.gz TXSOIAOZHDTFIQ-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001713141816 1202621549 /nfs/dbraw/zinc/62/15/49/1202621549.db2.gz LLICKEJFYDQIPH-UOVPBQLFSA-N 0 3 304.478 3.453 20 30 DGEDHN C[C@H]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166815 1202623496 /nfs/dbraw/zinc/62/34/96/1202623496.db2.gz HUWKRGJZBXHNOX-RNQOJCNYSA-N 0 3 324.468 3.101 20 30 DGEDHN C[C@H]1CCC[C@]1(C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713168008 1202623572 /nfs/dbraw/zinc/62/35/72/1202623572.db2.gz SBZWLVUQHRLFPB-WBKMXMRLSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 ZINC001713180054 1202624658 /nfs/dbraw/zinc/62/46/58/1202624658.db2.gz YJIHSJFZLQGXHZ-AYHJJNSGSA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1sccc1F ZINC001713251201 1202631280 /nfs/dbraw/zinc/63/12/80/1202631280.db2.gz FZYWZPNEWFPHCA-CYBMUJFWSA-N 0 3 310.438 3.438 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC1CCC(OC)CC1 ZINC001713260047 1202632921 /nfs/dbraw/zinc/63/29/21/1202632921.db2.gz QNADZJKNDOLHEO-LXPRWKDFSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001713271455 1202633808 /nfs/dbraw/zinc/63/38/08/1202633808.db2.gz JCZUFDQRXPORLJ-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN CC[C@H](N[C@H](C)CNC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001713308838 1202638055 /nfs/dbraw/zinc/63/80/55/1202638055.db2.gz PWDIDFUNXTVUIM-DYVFJYSZSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)/C=C(\C)C1CC1 ZINC001713426817 1202648652 /nfs/dbraw/zinc/64/86/52/1202648652.db2.gz RQYULSCGXOAWAN-BYIUCRAPSA-N 0 3 310.869 3.456 20 30 DGEDHN CC1(C(=O)NCCC[C@H]2CCCN2CC#Cc2ccccc2)CC1 ZINC001713432271 1202649308 /nfs/dbraw/zinc/64/93/08/1202649308.db2.gz ZJTFORXRVBZUHD-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001713465972 1202654012 /nfs/dbraw/zinc/65/40/12/1202654012.db2.gz KVWNXZPLTXTPGJ-LJQANCHMSA-N 0 3 302.462 3.454 20 30 DGEDHN CCN(CCNC(=O)CC(C)(C)CC)Cc1ccc(C#N)cc1 ZINC001713485462 1202658107 /nfs/dbraw/zinc/65/81/07/1202658107.db2.gz VDAMUGMHNKNVLM-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001713497819 1202660518 /nfs/dbraw/zinc/66/05/18/1202660518.db2.gz ABKQHPBDTWXXJP-CQSZACIVSA-N 0 3 308.853 3.143 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN1Cc1ccc(OC)cc1 ZINC001713513363 1202662960 /nfs/dbraw/zinc/66/29/60/1202662960.db2.gz CXKBKVBGPKDRHG-QGZVFWFLSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCOCC)CCCCC1 ZINC001713519702 1202664201 /nfs/dbraw/zinc/66/42/01/1202664201.db2.gz GJLYTURKSHIJKV-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001713538202 1202666564 /nfs/dbraw/zinc/66/65/64/1202666564.db2.gz GQMOTTQHZAWJQA-AEFFLSMTSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)C1CCCCC1 ZINC001713550047 1202668561 /nfs/dbraw/zinc/66/85/61/1202668561.db2.gz MRUMVCHTKNBESQ-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C1CCC(C2CC2)CC1 ZINC001713551879 1202669289 /nfs/dbraw/zinc/66/92/89/1202669289.db2.gz CYIWFDXFHUPDRI-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccccc1CCC)C1CC1 ZINC001713559625 1202670515 /nfs/dbraw/zinc/67/05/15/1202670515.db2.gz BIRWACLKHCZUCP-UHFFFAOYSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2c(s1)CCCC2)C1CC1 ZINC001713565488 1202671720 /nfs/dbraw/zinc/67/17/20/1202671720.db2.gz OMQLKURZMNZJBW-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001713624475 1202673855 /nfs/dbraw/zinc/67/38/55/1202673855.db2.gz IPPAWLKJICJPMM-ZDUSSCGKSA-N 0 3 310.388 3.115 20 30 DGEDHN C=CCCCC(=O)N1CCC([C@H](C)NCc2cc(C)no2)CC1 ZINC001713679800 1202676627 /nfs/dbraw/zinc/67/66/27/1202676627.db2.gz DFXHNKVJPAQYFZ-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1Cc2ccccc2C1)c1ccccc1 ZINC001713704142 1202678861 /nfs/dbraw/zinc/67/88/61/1202678861.db2.gz BMAVBQYVZYBLJJ-HXUWFJFHSA-N 0 3 320.436 3.035 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccoc2CCC)C1 ZINC001713721847 1202682001 /nfs/dbraw/zinc/68/20/01/1202682001.db2.gz ZVBRPMPNCGTDIA-MRXNPFEDSA-N 0 3 316.445 3.182 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](NCc1ccccc1Cl)C1CC1 ZINC001713865478 1202697079 /nfs/dbraw/zinc/69/70/79/1202697079.db2.gz SSQLYISOTHQWNI-QGZVFWFLSA-N 0 3 318.848 3.128 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001713903594 1202701051 /nfs/dbraw/zinc/70/10/51/1202701051.db2.gz ZKVPUCPNZJZSSJ-TVFCKZIOSA-N 0 3 302.462 3.373 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CF)cc1 ZINC001713915481 1202701763 /nfs/dbraw/zinc/70/17/63/1202701763.db2.gz YKEWWDYGXVABJB-HDICACEKSA-N 0 3 316.420 3.411 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCC1 ZINC001713928393 1202703051 /nfs/dbraw/zinc/70/30/51/1202703051.db2.gz HGKZWFHZVCYRRP-IRXDYDNUSA-N 0 3 322.493 3.201 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1C ZINC001713931909 1202703161 /nfs/dbraw/zinc/70/31/61/1202703161.db2.gz QIUDYDXALLZGHF-QEJZJMRPSA-N 0 3 304.459 3.310 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001713951847 1202705083 /nfs/dbraw/zinc/70/50/83/1202705083.db2.gz OFUNTRNDSDDSEU-WROLPWGZSA-N 0 3 318.848 3.165 20 30 DGEDHN CCCCCCCN1CC[C@H](N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001714033349 1202740846 /nfs/dbraw/zinc/74/08/46/1202740846.db2.gz XMUVULQQEOXFRU-INIZCTEOSA-N 0 3 324.509 3.495 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001714034892 1202742037 /nfs/dbraw/zinc/74/20/37/1202742037.db2.gz BFDVNGLIZIBERC-QZTJIDSGSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(Cc2cnccc2C)C1 ZINC001714036369 1202742640 /nfs/dbraw/zinc/74/26/40/1202742640.db2.gz SJPPRAQRFDDHSL-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(Cc2cnccc2C)C1 ZINC001714036367 1202742772 /nfs/dbraw/zinc/74/27/72/1202742772.db2.gz SJPPRAQRFDDHSL-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(Cc2csc(C)c2)C1 ZINC001714037994 1202744138 /nfs/dbraw/zinc/74/41/38/1202744138.db2.gz VDJQMXIHJLAAJC-QGZVFWFLSA-N 0 3 318.486 3.283 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001714042798 1202746821 /nfs/dbraw/zinc/74/68/21/1202746821.db2.gz YUMSBRLISKWLKI-UONOGXRCSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCN(CC#CC)C1)c1ccccc1 ZINC001714047565 1202750728 /nfs/dbraw/zinc/75/07/28/1202750728.db2.gz BUSPKBLHBZSMFV-MOPGFXCFSA-N 0 3 324.468 3.198 20 30 DGEDHN CC[C@H](CNC(=O)c1ccccc1C)NCC#Cc1ccccc1 ZINC001714053361 1202754153 /nfs/dbraw/zinc/75/41/53/1202754153.db2.gz OWBPNLFYCSFKAH-LJQANCHMSA-N 0 3 320.436 3.145 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001714053946 1202754741 /nfs/dbraw/zinc/75/47/41/1202754741.db2.gz QSEXXOABDZGBAJ-UYAOXDASSA-N 0 3 324.468 3.292 20 30 DGEDHN CC/C(C)=C/C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001714132732 1202794834 /nfs/dbraw/zinc/79/48/34/1202794834.db2.gz CFIZGXORYBNJFI-FBMGVBCBSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2cc(C)ns2)CCCC1 ZINC001714133564 1202794904 /nfs/dbraw/zinc/79/49/04/1202794904.db2.gz DXFIJRQENILYMJ-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2C=CC=CC=C2)CCCC1 ZINC001714133987 1202796030 /nfs/dbraw/zinc/79/60/30/1202796030.db2.gz MOMVYVSLKMVTRD-UHFFFAOYSA-N 0 3 306.837 3.056 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC=C ZINC001714143711 1202799560 /nfs/dbraw/zinc/79/95/60/1202799560.db2.gz GEJZTBXLNPUOEJ-IAGOWNOFSA-N 0 3 302.462 3.067 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#CC ZINC001714146308 1202801776 /nfs/dbraw/zinc/80/17/76/1202801776.db2.gz UXKQEVQWXXKNAV-MSOLQXFVSA-N 0 3 316.489 3.458 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001714161125 1202810142 /nfs/dbraw/zinc/81/01/42/1202810142.db2.gz YKIPZANPSYSIBT-AWEZNQCLSA-N 0 3 317.216 3.174 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CSCCC)C1 ZINC001714199452 1202827767 /nfs/dbraw/zinc/82/77/67/1202827767.db2.gz RMHNZCWRYBSOHN-CQSZACIVSA-N 0 3 318.914 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccc(Cl)cc1OC ZINC001714260756 1202851323 /nfs/dbraw/zinc/85/13/23/1202851323.db2.gz BLFMXYMDCKJUIM-LBPRGKRZSA-N 0 3 324.852 3.155 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N[C@H](C)c2ccccc2F)C1 ZINC001714274330 1202858365 /nfs/dbraw/zinc/85/83/65/1202858365.db2.gz UPRJXLFMACLKHY-UONOGXRCSA-N 0 3 304.409 3.337 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C\Cl)CC1 ZINC001714298329 1202869780 /nfs/dbraw/zinc/86/97/80/1202869780.db2.gz YIORZEUNHPAKEH-CVVUDGNYSA-N 0 3 317.260 3.126 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C/Cl)CC1 ZINC001714298330 1202869841 /nfs/dbraw/zinc/86/98/41/1202869841.db2.gz YIORZEUNHPAKEH-JUKMJGIZSA-N 0 3 317.260 3.126 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001714310192 1202877469 /nfs/dbraw/zinc/87/74/69/1202877469.db2.gz CCCUFJYEOASTKI-HDJSIYSDSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001714408868 1202916570 /nfs/dbraw/zinc/91/65/70/1202916570.db2.gz YIBSPDNJTLLMAM-ZIAGYGMSSA-N 0 3 307.463 3.016 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001714448095 1202938617 /nfs/dbraw/zinc/93/86/17/1202938617.db2.gz MRBYMOCKVYEIOI-IEBWSBKVSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H](C)NCc1ccncc1Cl ZINC001714470552 1202952004 /nfs/dbraw/zinc/95/20/04/1202952004.db2.gz BYDUAHPYXQJYQK-CYBMUJFWSA-N 0 3 309.841 3.076 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(C(F)(F)F)CC2)CCCC1 ZINC001714506011 1202968104 /nfs/dbraw/zinc/96/81/04/1202968104.db2.gz YXAXHDNWEJYYHM-UHFFFAOYSA-N 0 3 324.774 3.100 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCN(C)Cc1ccc(-c2ccccc2)cc1 ZINC001714535884 1202984436 /nfs/dbraw/zinc/98/44/36/1202984436.db2.gz GVQFSSAAHLNKMA-INIZCTEOSA-N 0 3 321.424 3.061 20 30 DGEDHN C=CCN(CC)CCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001714600532 1203041033 /nfs/dbraw/zinc/04/10/33/1203041033.db2.gz WAFISDIERWHWRQ-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCCCCCN1CCC[C@@H]1CNC(=O)c1scnc1C ZINC001714610384 1203048304 /nfs/dbraw/zinc/04/83/04/1203048304.db2.gz XDEZVMYHYUTHET-OAHLLOKOSA-N 0 3 321.490 3.392 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(CC(C)C)CCCC1 ZINC001714616326 1203051658 /nfs/dbraw/zinc/05/16/58/1203051658.db2.gz HGRDIOMPNDULSO-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C(CC(C)C)CC(C)C)C1 ZINC001714648970 1203073902 /nfs/dbraw/zinc/07/39/02/1203073902.db2.gz IKNQPZZMYDFXRD-KRWDZBQOSA-N 0 3 306.494 3.156 20 30 DGEDHN C=C(C)CN(CCNC(=O)C/C=C\c1ccc(F)cc1)C1CC1 ZINC001714664776 1203088209 /nfs/dbraw/zinc/08/82/09/1203088209.db2.gz FRBCGLOUTXCSMD-ARJAWSKDSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c[nH]cc1C1CC1)c1ccccc1 ZINC001714845998 1203149373 /nfs/dbraw/zinc/14/93/73/1203149373.db2.gz IMOOBVMPPYBFBX-SFHVURJKSA-N 0 3 309.413 3.139 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC001714846869 1203150179 /nfs/dbraw/zinc/15/01/79/1203150179.db2.gz LYHLQWPDGBACKB-IBGZPJMESA-N 0 3 308.425 3.171 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001714966368 1203219799 /nfs/dbraw/zinc/21/97/99/1203219799.db2.gz XICNXTJZRSCLIU-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CC[C@@H]2CCCC2(F)F)C1 ZINC001714969811 1203220416 /nfs/dbraw/zinc/22/04/16/1203220416.db2.gz GZVZMBDRCGMAFO-AWEZNQCLSA-N 0 3 314.420 3.072 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccncc2c1 ZINC001714993278 1203228730 /nfs/dbraw/zinc/22/87/30/1203228730.db2.gz UXFPTGVAWSAZED-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C(C)C ZINC001714992680 1203228814 /nfs/dbraw/zinc/22/88/14/1203228814.db2.gz RLFVRJOSUUBSPQ-ULQDDVLXSA-N 0 3 315.461 3.322 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)s2)C1 ZINC001715041133 1203250350 /nfs/dbraw/zinc/25/03/50/1203250350.db2.gz AMXWQUNECRULHV-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001715046477 1203252962 /nfs/dbraw/zinc/25/29/62/1203252962.db2.gz NUODSJGBVSALBZ-IRXDYDNUSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccc(F)cc2F)C1 ZINC001715046344 1203252970 /nfs/dbraw/zinc/25/29/70/1203252970.db2.gz QFHUQTVQDCZBTL-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1cccc(Cl)n1 ZINC001715060657 1203259271 /nfs/dbraw/zinc/25/92/71/1203259271.db2.gz OSHIEXQTTWFOLF-ZDUSSCGKSA-N 0 3 309.841 3.076 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1F ZINC001715062889 1203259837 /nfs/dbraw/zinc/25/98/37/1203259837.db2.gz ZLQVMDSNLLVIOQ-DZGCQCFKSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc2occc2[nH]1)C1CC1 ZINC001715114058 1203276912 /nfs/dbraw/zinc/27/69/12/1203276912.db2.gz YPVNPXJTAUJZAG-INIZCTEOSA-N 0 3 321.808 3.002 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccoc1C1CC1)C1CC1 ZINC001715119793 1203278199 /nfs/dbraw/zinc/27/81/99/1203278199.db2.gz VDXAJAWWMKNPMQ-QGZVFWFLSA-N 0 3 322.836 3.398 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001715162490 1203287180 /nfs/dbraw/zinc/28/71/80/1203287180.db2.gz RUQYAVUVFYOMER-DZGCQCFKSA-N 0 3 312.885 3.393 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)C(CC)CC)cc1 ZINC001715193244 1203293467 /nfs/dbraw/zinc/29/34/67/1203293467.db2.gz BQELNBJVLMELCE-MRXNPFEDSA-N 0 3 314.473 3.488 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc(Cl)cs2)cc1 ZINC001715195766 1203293972 /nfs/dbraw/zinc/29/39/72/1203293972.db2.gz IIMUFBIHOZDXOV-UHFFFAOYSA-N 0 3 318.829 3.054 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2CCC(C)(C)CC2)cc1 ZINC001715199497 1203294463 /nfs/dbraw/zinc/29/44/63/1203294463.db2.gz LAXQUPKVYFGBPR-UHFFFAOYSA-N 0 3 312.457 3.242 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)cc1OC ZINC001715329034 1203316757 /nfs/dbraw/zinc/31/67/57/1203316757.db2.gz FEKFYPYWDYGNEP-CYBMUJFWSA-N 0 3 324.852 3.251 20 30 DGEDHN CC(C)CCCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001715364061 1203325012 /nfs/dbraw/zinc/32/50/12/1203325012.db2.gz MSPVAJAKVABVBK-GOSISDBHSA-N 0 3 314.473 3.301 20 30 DGEDHN C[C@@H](CNCC#Cc1ccc(Cl)cc1)N(C)C(=O)C(C)(C)C ZINC001715373703 1203327549 /nfs/dbraw/zinc/32/75/49/1203327549.db2.gz VASGSHNQRWUDRR-AWEZNQCLSA-N 0 3 320.864 3.174 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC001715452320 1203343200 /nfs/dbraw/zinc/34/32/00/1203343200.db2.gz AFVSDSBBNHHTIQ-HZPDHXFCSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)NCc2cc(C)no2)C1 ZINC001715452316 1203343230 /nfs/dbraw/zinc/34/32/30/1203343230.db2.gz AFVSDSBBNHHTIQ-HOTGVXAUSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCC(F)(F)C1)C(C)C ZINC001715505240 1203354842 /nfs/dbraw/zinc/35/48/42/1203354842.db2.gz ZNZQHZBWDJBANG-CHWSQXEVSA-N 0 3 322.827 3.295 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001715516189 1203358340 /nfs/dbraw/zinc/35/83/40/1203358340.db2.gz RLPJFEANMPWVFF-KRWDZBQOSA-N 0 3 304.409 3.169 20 30 DGEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)C1CCCCC1 ZINC001715618469 1203374109 /nfs/dbraw/zinc/37/41/09/1203374109.db2.gz IUFNPAMAPLNPHG-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1ncccc1C)C(C)C ZINC001715661240 1203378526 /nfs/dbraw/zinc/37/85/26/1203378526.db2.gz OCPJMBWCQQGJFU-MRXNPFEDSA-N 0 3 317.477 3.223 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(Cl)cs1)C(C)C ZINC001715663795 1203378665 /nfs/dbraw/zinc/37/86/65/1203378665.db2.gz VLBABILTZFRJDZ-NSHDSACASA-N 0 3 321.273 3.498 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001715687410 1203380666 /nfs/dbraw/zinc/38/06/66/1203380666.db2.gz HUPDEGPUEWJNHQ-IMJJTQAJSA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC001715704258 1203381957 /nfs/dbraw/zinc/38/19/57/1203381957.db2.gz ZYJMLONDLAJTML-LBPRGKRZSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1ccnc(Cl)c1 ZINC001715735357 1203385791 /nfs/dbraw/zinc/38/57/91/1203385791.db2.gz WPYJZIHHNNAFIT-UHFFFAOYSA-N 0 3 309.841 3.029 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1c(C)nsc1C)C(C)C ZINC001715735870 1203385994 /nfs/dbraw/zinc/38/59/94/1203385994.db2.gz UJVKEEHDYSRWFT-HNNXBMFYSA-N 0 3 323.506 3.203 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001715747310 1203386764 /nfs/dbraw/zinc/38/67/64/1203386764.db2.gz AJDKJZWXJUWYLO-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(C(C)(C)C)s1 ZINC001715775334 1203390844 /nfs/dbraw/zinc/39/08/44/1203390844.db2.gz LBISXHFITXCZFH-UHFFFAOYSA-N 0 3 306.475 3.121 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001715816540 1203394965 /nfs/dbraw/zinc/39/49/65/1203394965.db2.gz NJCQPROIRXZCAM-HNNXBMFYSA-N 0 3 304.409 3.080 20 30 DGEDHN CCCC(C)(C)C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001715865369 1203399332 /nfs/dbraw/zinc/39/93/32/1203399332.db2.gz XKILIYCXENCGIK-AATRIKPKSA-N 0 3 313.445 3.147 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001715916709 1203403348 /nfs/dbraw/zinc/40/33/48/1203403348.db2.gz WCGIKTUZZFASLQ-SREVYHEPSA-N 0 3 308.425 3.153 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001716024078 1203426386 /nfs/dbraw/zinc/42/63/86/1203426386.db2.gz CBFHMLKBCNPOTI-KGLIPLIRSA-N 0 3 322.399 3.266 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1ccc(C2CCC2)cc1 ZINC001716039074 1203431816 /nfs/dbraw/zinc/43/18/16/1203431816.db2.gz QVCMLWYOFJMINK-OAHLLOKOSA-N 0 3 300.446 3.119 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC001716039663 1203432438 /nfs/dbraw/zinc/43/24/38/1203432438.db2.gz KENLOYFSZFASOA-INIZCTEOSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001716047478 1203435254 /nfs/dbraw/zinc/43/52/54/1203435254.db2.gz VBRPTTRGDBKDPW-UHOFOFEASA-N 0 3 306.837 3.066 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001716142184 1203442779 /nfs/dbraw/zinc/44/27/79/1203442779.db2.gz QIXNIHQRVQDIFU-HNNXBMFYSA-N 0 3 315.461 3.225 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1ccccc1C ZINC001716204138 1203448918 /nfs/dbraw/zinc/44/89/18/1203448918.db2.gz WNLMIVZLVMLVNP-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C#CCNCCN(CC)C(=O)c1ccccc1C(C)(C)CC ZINC001716222681 1203450751 /nfs/dbraw/zinc/45/07/51/1203450751.db2.gz LDIGIKZNPUNRME-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2sc(C)nc2C)CC1 ZINC001716410868 1203468296 /nfs/dbraw/zinc/46/82/96/1203468296.db2.gz MRADCYDBNADJPN-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cc(C)ns2)CCCC1 ZINC001716426787 1203471515 /nfs/dbraw/zinc/47/15/15/1203471515.db2.gz UTFWIYZCWZVRIR-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(OC)c(C)c1 ZINC001716480742 1203485483 /nfs/dbraw/zinc/48/54/83/1203485483.db2.gz ACURNANWQIAXCS-MRXNPFEDSA-N 0 3 318.461 3.296 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccc(F)cc1Cl)C1CC1 ZINC001716605579 1203505631 /nfs/dbraw/zinc/50/56/31/1203505631.db2.gz CIMATXRLDBGRLW-INIZCTEOSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001716619227 1203507350 /nfs/dbraw/zinc/50/73/50/1203507350.db2.gz ROIRYTTVIBMAPE-XLIONFOSSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001716651834 1203513386 /nfs/dbraw/zinc/51/33/86/1203513386.db2.gz FNUKERWFUKJIQI-MRXNPFEDSA-N 0 3 318.848 3.138 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001716655406 1203514684 /nfs/dbraw/zinc/51/46/84/1203514684.db2.gz UVHHZLSMGKJVPE-LRDDRELGSA-N 0 3 304.434 3.364 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001716665946 1203519733 /nfs/dbraw/zinc/51/97/33/1203519733.db2.gz WWWPOLNFBVRCHH-GBESFXJTSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001716670935 1203520971 /nfs/dbraw/zinc/52/09/71/1203520971.db2.gz JQPAOMUKUMKRAR-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1CCN1CCCC)c1ccccc1 ZINC001716670671 1203521301 /nfs/dbraw/zinc/52/13/01/1203521301.db2.gz HBERVVWNFIKSIS-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001716670938 1203521860 /nfs/dbraw/zinc/52/18/60/1203521860.db2.gz JQPAOMUKUMKRAR-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCCC ZINC001716709207 1203529737 /nfs/dbraw/zinc/52/97/37/1203529737.db2.gz LTTBROACBOQOOC-KSZLIROESA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC=CCC1)C1CCN(CC=C(C)C)CC1 ZINC001716802775 1203545247 /nfs/dbraw/zinc/54/52/47/1203545247.db2.gz NRWBHVZRIBKLIM-SFHVURJKSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001716848244 1203554665 /nfs/dbraw/zinc/55/46/65/1203554665.db2.gz AAWBGMLRRIUEII-QGZVFWFLSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(CCC)cc2)CC1 ZINC001716887140 1203561418 /nfs/dbraw/zinc/56/14/18/1203561418.db2.gz CDYZIXXJHNLRJD-UHFFFAOYSA-N 0 3 312.457 3.104 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001716902243 1203566681 /nfs/dbraw/zinc/56/66/81/1203566681.db2.gz ZSPKLVMKDNKDMT-HKUYNNGSSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1CC ZINC001716953628 1203569365 /nfs/dbraw/zinc/56/93/65/1203569365.db2.gz DIBXDWFANDCNAX-JCGIZDLHSA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H]([C@H](C)NCc2c(F)cccc2F)C1 ZINC001716959140 1203570482 /nfs/dbraw/zinc/57/04/82/1203570482.db2.gz JZJDYPZMCGYYNI-UONOGXRCSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CCNCC#CC)Cc1ccccc1 ZINC001717007281 1203576951 /nfs/dbraw/zinc/57/69/51/1203576951.db2.gz VNPHZXANHGWSHC-HXUWFJFHSA-N 0 3 312.457 3.230 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001717113824 1203586261 /nfs/dbraw/zinc/58/62/61/1203586261.db2.gz PRRXXJYRRLQGEG-ABSDTBQOSA-N 0 3 324.468 3.194 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](CC)SC)cc1 ZINC001717115705 1203586449 /nfs/dbraw/zinc/58/64/49/1203586449.db2.gz NDPDSWOROAIADL-WMLDXEAASA-N 0 3 318.486 3.118 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)CC)cc1 ZINC001717115044 1203586550 /nfs/dbraw/zinc/58/65/50/1203586550.db2.gz IKNNNGMZIDVPOC-HZPDHXFCSA-N 0 3 300.446 3.413 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC2(F)F)cc1 ZINC001717114395 1203586673 /nfs/dbraw/zinc/58/66/73/1203586673.db2.gz DJVLTBSKXJDZQM-CJNGLKHVSA-N 0 3 320.383 3.022 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccn(CC)c2C)cc1 ZINC001717116473 1203586706 /nfs/dbraw/zinc/58/67/06/1203586706.db2.gz VVLKAULTKSRLJR-HNNXBMFYSA-N 0 3 323.440 3.030 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001717243331 1203609075 /nfs/dbraw/zinc/60/90/75/1203609075.db2.gz CDIHXZSXOIWFEZ-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001717243332 1203609167 /nfs/dbraw/zinc/60/91/67/1203609167.db2.gz CDIHXZSXOIWFEZ-LJQANCHMSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001717327207 1203618340 /nfs/dbraw/zinc/61/83/40/1203618340.db2.gz GKWNRUCMKOONNQ-PBHICJAKSA-N 0 3 318.486 3.329 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCc1ccsc1 ZINC001717367455 1203626889 /nfs/dbraw/zinc/62/68/89/1203626889.db2.gz KEOLBEZXIZQISE-MRXNPFEDSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C[C@H]1CCCCO1 ZINC001717372430 1203628597 /nfs/dbraw/zinc/62/85/97/1203628597.db2.gz BVJNIBHHZPJPLD-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001717394343 1203634420 /nfs/dbraw/zinc/63/44/20/1203634420.db2.gz IBTZTIYARFCTPX-NRXISQOPSA-N 0 3 312.885 3.440 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001717407999 1203638083 /nfs/dbraw/zinc/63/80/83/1203638083.db2.gz FCEBXVKBEYZDGU-DLBZAZTESA-N 0 3 314.473 3.203 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001717425176 1203641571 /nfs/dbraw/zinc/64/15/71/1203641571.db2.gz OPKCAUWQMWYYBR-OLZOCXBDSA-N 0 3 309.841 3.074 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001717538047 1203676209 /nfs/dbraw/zinc/67/62/09/1203676209.db2.gz NTKMIAQXHONGGK-CABCVRRESA-N 0 3 314.420 3.052 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001717552540 1203680637 /nfs/dbraw/zinc/68/06/37/1203680637.db2.gz JWUPIVYPFXJFCA-LRYGQEGESA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2ccc(CC)cc2)C1 ZINC001717563276 1203682781 /nfs/dbraw/zinc/68/27/81/1203682781.db2.gz XPNYOFIAORQUHI-MRXNPFEDSA-N 0 3 314.473 3.194 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C(C)(C)C1 ZINC001717586191 1203687140 /nfs/dbraw/zinc/68/71/40/1203687140.db2.gz GNQKFECVEAFCCL-JKSUJKDBSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001717642817 1203692921 /nfs/dbraw/zinc/69/29/21/1203692921.db2.gz IIEHFIOWAJDDPD-BZUAXINKSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001717648488 1203693860 /nfs/dbraw/zinc/69/38/60/1203693860.db2.gz BGTGMFZESLBOBC-KLHDSHLOSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC001717676014 1203697262 /nfs/dbraw/zinc/69/72/62/1203697262.db2.gz ZOKKEFFQALAALF-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCC3CCCC3)CCC[C@@H]12 ZINC001717834585 1203718601 /nfs/dbraw/zinc/71/86/01/1203718601.db2.gz VHRQXNQLSGAXLD-MJGOQNOKSA-N 0 3 302.462 3.093 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCC3CCCC3)CCC[C@H]12 ZINC001717834583 1203718793 /nfs/dbraw/zinc/71/87/93/1203718793.db2.gz VHRQXNQLSGAXLD-HKUYNNGSSA-N 0 3 302.462 3.093 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@H]1C ZINC001717855518 1203722796 /nfs/dbraw/zinc/72/27/96/1203722796.db2.gz HPWVFMUVVRYWLM-ZIAGYGMSSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(CC)cc2)[C@@H]1C ZINC001717860373 1203723881 /nfs/dbraw/zinc/72/38/81/1203723881.db2.gz KPHJOZOQIXBOCP-QFBILLFUSA-N 0 3 314.473 3.337 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1coc(C(F)F)c1)C(C)C ZINC001717950330 1203733511 /nfs/dbraw/zinc/73/35/11/1203733511.db2.gz NGIHBBKDAXJXQH-UHFFFAOYSA-N 0 3 300.349 3.186 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)COC1CCC(C)CC1)C(C)C ZINC001717952752 1203734491 /nfs/dbraw/zinc/73/44/91/1203734491.db2.gz MYPQXFKNYYKYSY-UHFFFAOYSA-N 0 3 324.509 3.327 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)C2CCC2)CC1 ZINC001717983340 1203739910 /nfs/dbraw/zinc/73/99/10/1203739910.db2.gz AYYYHXBNRCMBBS-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H](C)C1CCN(CC#CC)CC1)c1ccccc1 ZINC001717985848 1203740638 /nfs/dbraw/zinc/74/06/38/1203740638.db2.gz XCQZMBXYXZVJEL-PXNSSMCTSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC001718028344 1203744367 /nfs/dbraw/zinc/74/43/67/1203744367.db2.gz ARHGIBQZSJTMMR-IBGZPJMESA-N 0 3 312.457 3.361 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cscc2C)c(F)c1 ZINC001718033924 1203745185 /nfs/dbraw/zinc/74/51/85/1203745185.db2.gz AGWUTZQEZDEDDF-UHFFFAOYSA-N 0 3 318.417 3.401 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C(C)(C)C2CC2)c(F)c1 ZINC001718036639 1203745670 /nfs/dbraw/zinc/74/56/70/1203745670.db2.gz CUYPNINCGPVURJ-UHFFFAOYSA-N 0 3 304.409 3.154 20 30 DGEDHN C#CCN(C[C@@H](O)c1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC000172287538 1203865505 /nfs/dbraw/zinc/86/55/05/1203865505.db2.gz KKZSLDSGEAYRQL-NHCUHLMSSA-N 0 3 321.420 3.351 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C/Cl)C1 ZINC001752969108 1203944853 /nfs/dbraw/zinc/94/48/53/1203944853.db2.gz PSCSHIIXQPSHJA-WXLZEUHASA-N 0 3 317.260 3.126 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001723085414 1203957212 /nfs/dbraw/zinc/95/72/12/1203957212.db2.gz XQASMZONWZIDRW-LBPRGKRZSA-N 0 3 308.800 3.003 20 30 DGEDHN CN(CCCNCc1ccccc1C#N)C(=O)C1(C)CCCC1 ZINC001723087650 1203957549 /nfs/dbraw/zinc/95/75/49/1203957549.db2.gz SGBHXTCRLSFDAT-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001723182200 1203959613 /nfs/dbraw/zinc/95/96/13/1203959613.db2.gz IWGAHFGBLWJXGL-UHFFFAOYSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001723430022 1203970976 /nfs/dbraw/zinc/97/09/76/1203970976.db2.gz UPGUSZIIZBODIB-AEFFLSMTSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001723456749 1203973967 /nfs/dbraw/zinc/97/39/67/1203973967.db2.gz DOPVOMRRWKEJOV-WNRNVDISSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001723464154 1203975341 /nfs/dbraw/zinc/97/53/41/1203975341.db2.gz OWEQPZIQACLBFH-JKSUJKDBSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001723471887 1203976998 /nfs/dbraw/zinc/97/69/98/1203976998.db2.gz VZOVUPBNQZMBSX-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001723473219 1203977023 /nfs/dbraw/zinc/97/70/23/1203977023.db2.gz KQPOBFJKXHUIHY-GXTWGEPZSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001723482623 1203977904 /nfs/dbraw/zinc/97/79/04/1203977904.db2.gz DEOUFSWLALKYFX-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001723482689 1203978142 /nfs/dbraw/zinc/97/81/42/1203978142.db2.gz OGWOFULOCQCEJZ-HIFRSBDPSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@@H]2CCc3c2cccc3F)CC1 ZINC001723520359 1203980425 /nfs/dbraw/zinc/98/04/25/1203980425.db2.gz CTWKGAMAMGPYAP-QGZVFWFLSA-N 0 3 316.420 3.408 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001723545557 1203981487 /nfs/dbraw/zinc/98/14/87/1203981487.db2.gz ULJQOVJQBNQLAI-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN CCC[C@H](CC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001723578811 1203983317 /nfs/dbraw/zinc/98/33/17/1203983317.db2.gz QGROENQTBZUMOW-KRWDZBQOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@]3(CCN(CC#CC)C3)C2)CCCC1 ZINC001723726311 1203990669 /nfs/dbraw/zinc/99/06/69/1203990669.db2.gz GFIKDZAVNWMQPT-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001723970473 1203999804 /nfs/dbraw/zinc/99/98/04/1203999804.db2.gz HUWRCTRJFUBSNX-FPOVZHCZSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)CC)C1CCN(CC=C(C)C)CC1 ZINC001724043615 1204002346 /nfs/dbraw/zinc/00/23/46/1204002346.db2.gz JCKJWTLEFIIAOF-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)[C@H](C)C1CCCC1)C1CCN(CC(=C)C)CC1 ZINC001724060714 1204002621 /nfs/dbraw/zinc/00/26/21/1204002621.db2.gz CWGXVYMUNFHLNG-QGZVFWFLSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)CCC2CCCCC2)C1 ZINC001724182628 1204012676 /nfs/dbraw/zinc/01/26/76/1204012676.db2.gz CXPCWSGWRRKRME-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](CC)CCCCC)CC1 ZINC001724307108 1204019312 /nfs/dbraw/zinc/01/93/12/1204019312.db2.gz RULZLSCFFKTBLX-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccccc2OCC)C1 ZINC001724343544 1204023491 /nfs/dbraw/zinc/02/34/91/1204023491.db2.gz RVRKICTYAGFCQM-IBGZPJMESA-N 0 3 316.445 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](CC)CC(F)F)C1 ZINC001724717639 1204039553 /nfs/dbraw/zinc/03/95/53/1204039553.db2.gz WAXFIMJLCFNIPR-STQMWFEESA-N 0 3 322.827 3.249 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1sccc1F ZINC001724737574 1204041380 /nfs/dbraw/zinc/04/13/80/1204041380.db2.gz QDZCBLHITWCDHX-UHFFFAOYSA-N 0 3 318.417 3.435 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C/C ZINC001724891698 1204063312 /nfs/dbraw/zinc/06/33/12/1204063312.db2.gz BALPGWAPJWHIAU-ONGAVZMUSA-N 0 3 312.457 3.462 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@](C)(CC)CCC)C2 ZINC001724898021 1204064913 /nfs/dbraw/zinc/06/49/13/1204064913.db2.gz LEKROZLPHKIDRX-RBUKOAKNSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H](CC)OC)cc2C1 ZINC001724922073 1204065894 /nfs/dbraw/zinc/06/58/94/1204065894.db2.gz NLDHKRGVWYAXOU-GOSISDBHSA-N 0 3 316.445 3.010 20 30 DGEDHN C[C@H]1CN(C(=O)CC2CCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001724936780 1204067813 /nfs/dbraw/zinc/06/78/13/1204067813.db2.gz YOTCTHCEFMTLSY-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001725029530 1204081771 /nfs/dbraw/zinc/08/17/71/1204081771.db2.gz KQYABVOCLFTSKD-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CC=C)CCC1 ZINC001725032813 1204082018 /nfs/dbraw/zinc/08/20/18/1204082018.db2.gz MFMASLQIVJMYKH-QZTJIDSGSA-N 0 3 310.441 3.291 20 30 DGEDHN CCCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001725079955 1204090532 /nfs/dbraw/zinc/09/05/32/1204090532.db2.gz KACJNYCKUSJYMY-JKSUJKDBSA-N 0 3 318.436 3.240 20 30 DGEDHN Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)o1 ZINC001725091282 1204092710 /nfs/dbraw/zinc/09/27/10/1204092710.db2.gz OAAHVERVZVVCKT-DLBZAZTESA-N 0 3 324.424 3.045 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ccns2)CCCC1 ZINC001725124320 1204099248 /nfs/dbraw/zinc/09/92/48/1204099248.db2.gz ZHVSRPUBNLDBNP-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C(C)(C)C1CC1 ZINC001725125807 1204099372 /nfs/dbraw/zinc/09/93/72/1204099372.db2.gz BLIODYUVECTIAR-NEPJUHHUSA-N 0 3 319.474 3.039 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001725166808 1204108716 /nfs/dbraw/zinc/10/87/16/1204108716.db2.gz ZJJYPFABCAHVKS-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCCN1CCc1ccns1 ZINC001725241947 1204126207 /nfs/dbraw/zinc/12/62/07/1204126207.db2.gz WWADFGRWYPIWSU-OAHLLOKOSA-N 0 3 321.490 3.013 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001725246926 1204127550 /nfs/dbraw/zinc/12/75/50/1204127550.db2.gz IGMFNLQNBSDFHC-MAUKXSAKSA-N 0 3 322.493 3.127 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)c2ocnc2C)C(C)(C)C1 ZINC001725289246 1204133567 /nfs/dbraw/zinc/13/35/67/1204133567.db2.gz YMSNSWNTIIMADV-HNNXBMFYSA-N 0 3 321.465 3.394 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001725374127 1204142293 /nfs/dbraw/zinc/14/22/93/1204142293.db2.gz BGLKNQATGJKKEO-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Br)CNCCC[C@H](C)NC(=O)/C=C(/C)CC ZINC001725390468 1204144702 /nfs/dbraw/zinc/14/47/02/1204144702.db2.gz XDUJGOBSEROZEO-FUWURINLSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001725396927 1204145497 /nfs/dbraw/zinc/14/54/97/1204145497.db2.gz QWFBQYTUVNMLQA-ZDUSSCGKSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001725610374 1204178355 /nfs/dbraw/zinc/17/83/55/1204178355.db2.gz KDSDVBXQZQUGCF-HKUYNNGSSA-N 0 3 313.445 3.051 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)C(CC)CC)CCC[C@@H]12 ZINC001725610075 1204178697 /nfs/dbraw/zinc/17/86/97/1204178697.db2.gz RWGSHLLLAXOUNK-KVSKMBFKSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cc(C)cc(C)c2)[C@@H]1C ZINC001725617913 1204181092 /nfs/dbraw/zinc/18/10/92/1204181092.db2.gz CZLACKNZFFHRPI-PKOBYXMFSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001725626945 1204184590 /nfs/dbraw/zinc/18/45/90/1204184590.db2.gz KSYFKQPPAPWOBM-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCc2ccccc2F)[C@@H]1C ZINC001725626888 1204184674 /nfs/dbraw/zinc/18/46/74/1204184674.db2.gz ASUOOLCRLXNWQY-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@]1(C)c1ccccc1)C(C)C ZINC001725760821 1204215109 /nfs/dbraw/zinc/21/51/09/1204215109.db2.gz AXKWDHKCQMJICI-AZUAARDMSA-N 0 3 314.473 3.319 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](CCCC)C(C)C)CC2)CC1 ZINC001725798358 1204224240 /nfs/dbraw/zinc/22/42/40/1204224240.db2.gz XQFLWMJISZXQGY-SFHVURJKSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN(CC)CCNC(=O)C1(Cc2ccccc2)CCC1 ZINC001753083438 1204307985 /nfs/dbraw/zinc/30/79/85/1204307985.db2.gz FNJJIQZWAIPTTL-UHFFFAOYSA-N 0 3 300.446 3.024 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCN(C)Cc1ccc(C)nc1C ZINC001731268356 1204357123 /nfs/dbraw/zinc/35/71/23/1204357123.db2.gz OJRAXVDXTTZLSI-UHFFFAOYSA-N 0 3 317.477 3.239 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001731288285 1204362928 /nfs/dbraw/zinc/36/29/28/1204362928.db2.gz COMSRUYJADDPID-UONOGXRCSA-N 0 3 310.825 3.313 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC001731288357 1204363091 /nfs/dbraw/zinc/36/30/91/1204363091.db2.gz OMLOOTRVNHFJMK-JSGCOSHPSA-N 0 3 312.866 3.473 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001731298161 1204366704 /nfs/dbraw/zinc/36/67/04/1204366704.db2.gz WDWQEGCGQFGZJH-DOTOQJQBSA-N 0 3 320.864 3.341 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001731429623 1204410713 /nfs/dbraw/zinc/41/07/13/1204410713.db2.gz QYVBGAPNDZGXPT-YESZJQIVSA-N 0 3 315.461 3.152 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001731501277 1204436035 /nfs/dbraw/zinc/43/60/35/1204436035.db2.gz RCUCONRNRTTYGD-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001731538465 1204449972 /nfs/dbraw/zinc/44/99/72/1204449972.db2.gz OAOHQNKXDNEGQC-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001731588718 1204474912 /nfs/dbraw/zinc/47/49/12/1204474912.db2.gz MCCMWCXPSXOGBF-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2ncsc2c1 ZINC001731738920 1204530427 /nfs/dbraw/zinc/53/04/27/1204530427.db2.gz PUDOTEFCOXCFDH-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=CCC1(C(=O)NCCC[C@H]2CCCN2CCF)CCCC1 ZINC001731761663 1204540900 /nfs/dbraw/zinc/54/09/00/1204540900.db2.gz WJNCSGYHGKMUDH-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001731781829 1204553101 /nfs/dbraw/zinc/55/31/01/1204553101.db2.gz GWFJTZJHRKDQMH-UHFFFAOYSA-N 0 3 313.445 3.318 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001731856882 1204604139 /nfs/dbraw/zinc/60/41/39/1204604139.db2.gz IXLLFACCOQREQI-INIZCTEOSA-N 0 3 318.436 3.429 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C)c(Cl)c1F ZINC001731865523 1204610303 /nfs/dbraw/zinc/61/03/03/1204610303.db2.gz GOXIDXRDSSVNQW-UHFFFAOYSA-N 0 3 324.827 3.253 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2ccccc2n1)C1CC1 ZINC001731885007 1204624487 /nfs/dbraw/zinc/62/44/87/1204624487.db2.gz TWGCPYVCFQXWRY-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN CN(CCNCc1ccc(C#N)s1)C(=O)CC1=CCCCC1 ZINC001731898187 1204627355 /nfs/dbraw/zinc/62/73/55/1204627355.db2.gz KMYOMIIHNRNSNI-UHFFFAOYSA-N 0 3 317.458 3.058 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)C#N)c1ccc(C(C)C)cc1 ZINC001732018185 1204650911 /nfs/dbraw/zinc/65/09/11/1204650911.db2.gz SZFZLAJYDIRPIT-QAPCUYQASA-N 0 3 313.445 3.293 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CCCCCC1)c1ccccc1 ZINC001732020180 1204651732 /nfs/dbraw/zinc/65/17/32/1204651732.db2.gz XFZYBFCYKHXZFF-LJQANCHMSA-N 0 3 312.457 3.427 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CCc1ccccn1)c1ccccc1 ZINC001732023762 1204653353 /nfs/dbraw/zinc/65/33/53/1204653353.db2.gz UFLIMHWRJGHKPV-IBGZPJMESA-N 0 3 323.440 3.037 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(OCC)cc1)c1ccccc1 ZINC001732027587 1204654069 /nfs/dbraw/zinc/65/40/69/1204654069.db2.gz WIBLFEZMDPZMTH-LJQANCHMSA-N 0 3 324.424 3.332 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC001732026142 1204654201 /nfs/dbraw/zinc/65/42/01/1204654201.db2.gz RYHZOPUWXLHXPV-VQIMIIECSA-N 0 3 308.425 3.423 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC(C)C ZINC001732032999 1204655728 /nfs/dbraw/zinc/65/57/28/1204655728.db2.gz XZWFHMKLVSWGIC-KURKYZTESA-N 0 3 322.493 3.079 20 30 DGEDHN C=C[C@@H](CC(=O)NCC[C@@H]1CCN(CCF)C1)c1ccccc1 ZINC001732058965 1204673992 /nfs/dbraw/zinc/67/39/92/1204673992.db2.gz DVKSHEFRPVPSEW-SJORKVTESA-N 0 3 318.436 3.144 20 30 DGEDHN C=C[C@H](C(=O)N1CCC(CN(C)CCF)CC1)c1ccccc1 ZINC001732086268 1204687719 /nfs/dbraw/zinc/68/77/19/1204687719.db2.gz LJXHLZKTWRAVNZ-SFHVURJKSA-N 0 3 318.436 3.096 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001732143558 1204711710 /nfs/dbraw/zinc/71/17/10/1204711710.db2.gz TVJFGRQWLLIZDD-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccccc1 ZINC001732150801 1204714478 /nfs/dbraw/zinc/71/44/78/1204714478.db2.gz NNRFHSUNZXYXEW-NEWSRXKRSA-N 0 3 312.457 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCc2ccccc2)C1 ZINC001732169132 1204725536 /nfs/dbraw/zinc/72/55/36/1204725536.db2.gz QVFWXVQWVUKYBL-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(CCOC2CCC2)C1 ZINC001732183478 1204737084 /nfs/dbraw/zinc/73/70/84/1204737084.db2.gz XPKIIISEEOIEOX-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)[C@@H](C)CC)CCCC1 ZINC001732233834 1204762843 /nfs/dbraw/zinc/76/28/43/1204762843.db2.gz BTYQSFWUXDIGLX-GXTWGEPZSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001732271104 1204777118 /nfs/dbraw/zinc/77/71/18/1204777118.db2.gz HVEOKHBRJOCTCA-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl)CC1 ZINC001732363914 1204807268 /nfs/dbraw/zinc/80/72/68/1204807268.db2.gz WKZKTHHFLYNFFG-AISSWFOISA-N 0 3 319.276 3.394 20 30 DGEDHN CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001732435275 1204839075 /nfs/dbraw/zinc/83/90/75/1204839075.db2.gz DABDEMNTEPUSAP-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN CCCCCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001732456767 1204851684 /nfs/dbraw/zinc/85/16/84/1204851684.db2.gz KEEWDDMHNKCUHS-SFHVURJKSA-N 0 3 314.473 3.445 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CCC(F)F ZINC001732512110 1204877050 /nfs/dbraw/zinc/87/70/50/1204877050.db2.gz UXPFRQICYCXGDM-LBPRGKRZSA-N 0 3 308.800 3.145 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001732557435 1204895615 /nfs/dbraw/zinc/89/56/15/1204895615.db2.gz FOKIZHJBCMPBPJ-LJQANCHMSA-N 0 3 312.457 3.125 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](N[C@H](C)c1ccccc1F)C(C)C ZINC001732563164 1204897729 /nfs/dbraw/zinc/89/77/29/1204897729.db2.gz NWLMPFYBLNZRBZ-QAPCUYQASA-N 0 3 318.436 3.277 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC001732585544 1204910504 /nfs/dbraw/zinc/91/05/04/1204910504.db2.gz RICUZDCPDUJFHF-UHFFFAOYSA-N 0 3 306.425 3.070 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)Cc2ccccc2CC)C1 ZINC001732592800 1204914356 /nfs/dbraw/zinc/91/43/56/1204914356.db2.gz OXWHNPRPJRMGFO-UHFFFAOYSA-N 0 3 314.473 3.496 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)CCc1ccccc1 ZINC001732593070 1204914799 /nfs/dbraw/zinc/91/47/99/1204914799.db2.gz RUILHSLYMJEMPP-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1nccs1 ZINC001732630233 1204925661 /nfs/dbraw/zinc/92/56/61/1204925661.db2.gz YUSFINNGOONBFT-KBPBESRZSA-N 0 3 321.490 3.120 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCN[C@H](C)c1c(F)cccc1F ZINC001732690625 1204929874 /nfs/dbraw/zinc/92/98/74/1204929874.db2.gz YOEBXTCPZWKJHA-ZIAGYGMSSA-N 0 3 322.399 3.314 20 30 DGEDHN CC#CCCCC(=O)N(CC)CCNCc1csc(C)c1 ZINC001732791570 1204944173 /nfs/dbraw/zinc/94/41/73/1204944173.db2.gz QGTKWVGSOVNEJF-UHFFFAOYSA-N 0 3 306.475 3.188 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CCCc1cc(C)sc1C ZINC001732812521 1204946923 /nfs/dbraw/zinc/94/69/23/1204946923.db2.gz PIPBVPUNBYHANW-UHFFFAOYSA-N 0 3 320.502 3.149 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2ccc(C)c(F)c2)C1 ZINC001732897716 1204956500 /nfs/dbraw/zinc/95/65/00/1204956500.db2.gz OXPRLTSLYPDNBX-SNAWJCMRSA-N 0 3 316.420 3.252 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C\CNCc2ccc(C#N)cc2)CC1 ZINC001732898077 1204956847 /nfs/dbraw/zinc/95/68/47/1204956847.db2.gz CCPDLYBTFLYJQF-IHWYPQMZSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001732956911 1204965346 /nfs/dbraw/zinc/96/53/46/1204965346.db2.gz CETWHENCJKYCKA-CHWSQXEVSA-N 0 3 310.388 3.476 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1ccc(C(F)F)cc1 ZINC001733038437 1204994321 /nfs/dbraw/zinc/99/43/21/1204994321.db2.gz NUMSHJPCYVFBFI-AWEZNQCLSA-N 0 3 322.399 3.220 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(OC)c1 ZINC001733055391 1205006689 /nfs/dbraw/zinc/00/66/89/1205006689.db2.gz NZIBQQLDBHWTJF-KXBFYZLASA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001733113013 1205025132 /nfs/dbraw/zinc/02/51/32/1205025132.db2.gz AAJFCSOKUNTIRI-LSDHHAIUSA-N 0 3 312.885 3.415 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001733221507 1205051705 /nfs/dbraw/zinc/05/17/05/1205051705.db2.gz CUWQEXLYWAJDSD-ZBFHGGJFSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001733224956 1205055635 /nfs/dbraw/zinc/05/56/35/1205055635.db2.gz IKTHBWDFFAFXKO-DOTOQJQBSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC001733229603 1205058432 /nfs/dbraw/zinc/05/84/32/1205058432.db2.gz LFNQTRSLOGRPAM-ZIAGYGMSSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001733236632 1205063198 /nfs/dbraw/zinc/06/31/98/1205063198.db2.gz JZYFQNNETYOTHL-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC(CC)CC)C1 ZINC001733269606 1205075929 /nfs/dbraw/zinc/07/59/29/1205075929.db2.gz QFXYOTMDPWAPCR-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CC(C)(C)CC)C2)CC1 ZINC001733290184 1205083925 /nfs/dbraw/zinc/08/39/25/1205083925.db2.gz DUHGLWMWBJVTFV-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN(C(=O)c1ccsc1Cl)C1CCN(CC=C)CC1 ZINC001733373248 1205108398 /nfs/dbraw/zinc/10/83/98/1205108398.db2.gz PFICAXWLGRPGND-UHFFFAOYSA-N 0 3 322.861 3.127 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001733389977 1205114302 /nfs/dbraw/zinc/11/43/02/1205114302.db2.gz CIAALKVQAZRNOR-DKISHCGFSA-N 0 3 310.869 3.410 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](CC)CCCC)CC1 ZINC001733450219 1205136807 /nfs/dbraw/zinc/13/68/07/1205136807.db2.gz DSHALVJAQMUBSB-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](C)CCCCCC)CC1 ZINC001733452489 1205138220 /nfs/dbraw/zinc/13/82/20/1205138220.db2.gz QRHFDQLDZZLJPG-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001733463346 1205144659 /nfs/dbraw/zinc/14/46/59/1205144659.db2.gz UROSOJRRFCZSTI-HOCLYGCPSA-N 0 3 314.420 3.216 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001733463520 1205145676 /nfs/dbraw/zinc/14/56/76/1205145676.db2.gz QTIUPFXQJAYNRX-PNYFIKQUSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1CC ZINC001733517882 1205152072 /nfs/dbraw/zinc/15/20/72/1205152072.db2.gz KDAUDCPNKGKDPD-LJQANCHMSA-N 0 3 324.468 3.209 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCCCC)C[C@@H]2C1 ZINC001733578732 1205168205 /nfs/dbraw/zinc/16/82/05/1205168205.db2.gz HXPQLSNYWCMTGZ-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2CCC(F)(F)F ZINC001733600069 1205170206 /nfs/dbraw/zinc/17/02/06/1205170206.db2.gz QDVZTEOUYZFWRB-KGLIPLIRSA-N 0 3 318.383 3.360 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H](C)SC ZINC001733677279 1205181742 /nfs/dbraw/zinc/18/17/42/1205181742.db2.gz MZHLODLLGLPJLU-AWEZNQCLSA-N 0 3 306.475 3.062 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC001733680207 1205182839 /nfs/dbraw/zinc/18/28/39/1205182839.db2.gz HEAUUXNFWCSUPG-CQSZACIVSA-N 0 3 310.372 3.040 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H](C)c1cccnc1 ZINC001733680238 1205182862 /nfs/dbraw/zinc/18/28/62/1205182862.db2.gz HSNSTMPQQRLJMD-MRXNPFEDSA-N 0 3 323.440 3.119 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)CC(C)C)C2)CC1 ZINC001733695421 1205187607 /nfs/dbraw/zinc/18/76/07/1205187607.db2.gz CQBZZKVYZZKRRU-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C(C)(C)CC(C)(C)C)C2)CC1 ZINC001733695721 1205187990 /nfs/dbraw/zinc/18/79/90/1205187990.db2.gz NQJQWBZKTNBHBE-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(-c2ccco2)s1 ZINC001733779411 1205215599 /nfs/dbraw/zinc/21/55/99/1205215599.db2.gz MPCAPDATULTGFC-UHFFFAOYSA-N 0 3 316.426 3.035 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001733778416 1205215688 /nfs/dbraw/zinc/21/56/88/1205215688.db2.gz YHLFUILRQOCOMQ-QGZVFWFLSA-N 0 3 310.457 3.099 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CCn3cccc3)cc2C1 ZINC001733835711 1205226801 /nfs/dbraw/zinc/22/68/01/1205226801.db2.gz IYMXUAXNBZNGGK-UHFFFAOYSA-N 0 3 323.440 3.086 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC001733908695 1205250979 /nfs/dbraw/zinc/25/09/79/1205250979.db2.gz VNWXZHWDEKHLGZ-HIFRSBDPSA-N 0 3 308.853 3.417 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC(C)C ZINC001733922347 1205255278 /nfs/dbraw/zinc/25/52/78/1205255278.db2.gz QROIMZHONITOOL-IEBWSBKVSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1CCC(C2CC2)CC1 ZINC001733940278 1205266705 /nfs/dbraw/zinc/26/67/05/1205266705.db2.gz UYJXSRYRWPLURU-DAWZGUTISA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001733994586 1205282587 /nfs/dbraw/zinc/28/25/87/1205282587.db2.gz IGFZAPTXCZYFJH-GHMZBOCLSA-N 0 3 307.265 3.391 20 30 DGEDHN C=CCCC(=O)N(C)CC(C)(C)CNC/C(Cl)=C/Cl ZINC001734016018 1205289686 /nfs/dbraw/zinc/28/96/86/1205289686.db2.gz XXAIKKGOSSLGKQ-WQLSENKSSA-N 0 3 307.265 3.346 20 30 DGEDHN CC(C)C#CC(=O)N(C)CC(C)(C)CNC/C(Cl)=C\Cl ZINC001734017244 1205290001 /nfs/dbraw/zinc/29/00/01/1205290001.db2.gz FYYHQCRMCDIBFU-MDWZMJQESA-N 0 3 319.276 3.039 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1cccc(F)c1 ZINC001734030009 1205294554 /nfs/dbraw/zinc/29/45/54/1205294554.db2.gz DFQVSUXYUKPAFL-CABCVRRESA-N 0 3 304.409 3.127 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001734046726 1205302699 /nfs/dbraw/zinc/30/26/99/1205302699.db2.gz XYCCXXNDGOLCKB-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001734057664 1205309315 /nfs/dbraw/zinc/30/93/15/1205309315.db2.gz GYWMGYXOESEVLE-OAHLLOKOSA-N 0 3 302.462 3.149 20 30 DGEDHN CC(=O)NC1(CNCC#Cc2cccc(Cl)c2)CCCCC1 ZINC001734084424 1205317384 /nfs/dbraw/zinc/31/73/84/1205317384.db2.gz RDWBAEDRGKDRMH-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001734107479 1205326308 /nfs/dbraw/zinc/32/63/08/1205326308.db2.gz XYJWOKQWVQWTQI-JKSUJKDBSA-N 0 3 304.434 3.238 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001734114829 1205328220 /nfs/dbraw/zinc/32/82/20/1205328220.db2.gz LUKLRBOSBJLWIV-SJORKVTESA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001734120032 1205328788 /nfs/dbraw/zinc/32/87/88/1205328788.db2.gz BTYGUXDGUPYQQR-INIZCTEOSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001734124263 1205330785 /nfs/dbraw/zinc/33/07/85/1205330785.db2.gz OCJGOFMUQMHIAA-JKSUJKDBSA-N 0 3 314.473 3.365 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CCCc3ccccc3)C2)C1 ZINC001734197546 1205342276 /nfs/dbraw/zinc/34/22/76/1205342276.db2.gz VVWABJGBVYYSHH-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001734214320 1205344568 /nfs/dbraw/zinc/34/45/68/1205344568.db2.gz XMFVERFZCVWLAB-HAQNSBGRSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCNCc2oc(C)nc2C)C1 ZINC001734250482 1205349655 /nfs/dbraw/zinc/34/96/55/1205349655.db2.gz HFHIMFABUDVTLN-ZDUSSCGKSA-N 0 3 319.449 3.022 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001734348966 1205369164 /nfs/dbraw/zinc/36/91/64/1205369164.db2.gz LYZDNJGPQMNANO-MSOLQXFVSA-N 0 3 314.473 3.301 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001734348967 1205369244 /nfs/dbraw/zinc/36/92/44/1205369244.db2.gz LYZDNJGPQMNANO-QZTJIDSGSA-N 0 3 314.473 3.301 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@H](CC)c1ccccc1 ZINC001734352008 1205369874 /nfs/dbraw/zinc/36/98/74/1205369874.db2.gz XAVMNOHQAYEUFB-IRXDYDNUSA-N 0 3 300.446 3.030 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001734460854 1205382010 /nfs/dbraw/zinc/38/20/10/1205382010.db2.gz QDEDZOVOEVVICR-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN CC1(C)CN(C(=O)CC2CCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001734494225 1205387315 /nfs/dbraw/zinc/38/73/15/1205387315.db2.gz ZMIINJHWZOWLMT-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1nc(C)c(C)s1)C(C)C ZINC001734554287 1205392649 /nfs/dbraw/zinc/39/26/49/1205392649.db2.gz HDDYTANPHYOAHE-UHFFFAOYSA-N 0 3 309.479 3.118 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)c1ccccc1F)C(C)C ZINC001734554701 1205392741 /nfs/dbraw/zinc/39/27/41/1205392741.db2.gz XZCDLUQYVZREBO-INIZCTEOSA-N 0 3 318.436 3.121 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CCC)CC[C@H]1C(F)(F)F ZINC001734588430 1205401902 /nfs/dbraw/zinc/40/19/02/1205401902.db2.gz BZKFPKLGPMYWAG-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001734630986 1205406805 /nfs/dbraw/zinc/40/68/05/1205406805.db2.gz CWDKAKVANRRPKK-AWEZNQCLSA-N 0 3 318.848 3.378 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H](F)C2)c(F)c1 ZINC001734640802 1205408892 /nfs/dbraw/zinc/40/88/92/1205408892.db2.gz PSSQZKHFDNLFEQ-HOCLYGCPSA-N 0 3 322.399 3.246 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)Cc2ccco2)CCCC1 ZINC001666795775 1197286210 /nfs/dbraw/zinc/28/62/10/1197286210.db2.gz GKUUPNKBSHBCNY-CYBMUJFWSA-N 0 3 324.852 3.229 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)c1ncccc1CN1CCCC1 ZINC001165017352 721837348 /nfs/dbraw/zinc/83/73/48/721837348.db2.gz KOBGQBFJOFQKQE-UHFFFAOYSA-N 0 3 306.413 3.185 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001667632113 1197372404 /nfs/dbraw/zinc/37/24/04/1197372404.db2.gz WEYJUKWTCVNPIZ-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001669920869 1197504153 /nfs/dbraw/zinc/50/41/53/1197504153.db2.gz OFYHFUKEYCARQA-OLZOCXBDSA-N 0 3 306.475 3.109 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccn1C1CCCC1 ZINC001169471479 1081574257 /nfs/dbraw/zinc/57/42/57/1081574257.db2.gz KGKPJRGDYANJKV-UHFFFAOYSA-N 0 3 309.841 3.065 20 30 DGEDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC001169539349 1081586328 /nfs/dbraw/zinc/58/63/28/1081586328.db2.gz HVTJVAYDCGBNIV-WMZOPIPTSA-N 0 3 312.457 3.063 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C#CC(C)(C)C ZINC001480862534 1081592264 /nfs/dbraw/zinc/59/22/64/1081592264.db2.gz USCKMRTXBLQJES-CQSZACIVSA-N 0 3 320.864 3.499 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1coc2ccc(CC)cc12 ZINC001266275162 1081608773 /nfs/dbraw/zinc/60/87/73/1081608773.db2.gz PFSIUIYFZYSHFQ-UHFFFAOYSA-N 0 3 300.402 3.233 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001167073300 1081637899 /nfs/dbraw/zinc/63/78/99/1081637899.db2.gz IOVXIIJHTKPJKF-XJKSGUPXSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001266308919 1081654141 /nfs/dbraw/zinc/65/41/41/1081654141.db2.gz HXCABRUPRNCIBH-INIZCTEOSA-N 0 3 304.409 3.073 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC001266317190 1081660973 /nfs/dbraw/zinc/66/09/73/1081660973.db2.gz NBTVYDXYSMQLNV-HXUWFJFHSA-N 0 3 324.468 3.448 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001266345561 1081687451 /nfs/dbraw/zinc/68/74/51/1081687451.db2.gz WTKYRBJDUBBJRX-ROUUACIJSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc3c(s2)CCCC3)C1 ZINC001266355552 1081695998 /nfs/dbraw/zinc/69/59/98/1081695998.db2.gz KTXFPEHFDOSPPP-OAHLLOKOSA-N 0 3 318.486 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2c(C)onc2CC)C1 ZINC001266358244 1081698991 /nfs/dbraw/zinc/69/89/91/1081698991.db2.gz BLSJGTQOGNEWGE-OAHLLOKOSA-N 0 3 321.465 3.320 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@@H](CC)OC)C2)CCCCC1 ZINC001266361428 1081701627 /nfs/dbraw/zinc/70/16/27/1081701627.db2.gz MVTBHWJENRXKCY-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001167111872 1081708074 /nfs/dbraw/zinc/70/80/74/1081708074.db2.gz NSCBZQHWGGRTBK-RHSMWYFYSA-N 0 3 310.869 3.195 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC[C@H]2CCCO2)CC1 ZINC001266384788 1081726412 /nfs/dbraw/zinc/72/64/12/1081726412.db2.gz VODVWTODWMOKBQ-GOSISDBHSA-N 0 3 322.493 3.225 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108927921 1081738441 /nfs/dbraw/zinc/73/84/41/1081738441.db2.gz TXCDPYPTVOLZPC-SQNIBIBYSA-N 0 3 322.493 3.438 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)SC)C2 ZINC001108970336 1081745294 /nfs/dbraw/zinc/74/52/94/1081745294.db2.gz UYWVTLBHBSMVBP-FZKCQIBNSA-N 0 3 312.523 3.430 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1C ZINC001104234725 1081746700 /nfs/dbraw/zinc/74/67/00/1081746700.db2.gz LPPZKVFHEPLLHO-UKRRQHHQSA-N 0 3 314.901 3.495 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001109054899 1081760780 /nfs/dbraw/zinc/76/07/80/1081760780.db2.gz FCPYCRHCBMHUJR-NEWSRXKRSA-N 0 3 323.440 3.356 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)cc1Cl ZINC001167176622 1081787710 /nfs/dbraw/zinc/78/77/10/1081787710.db2.gz ILFPMOBITLYPFB-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109255528 1081792497 /nfs/dbraw/zinc/79/24/97/1081792497.db2.gz RVYBUGBPHKHVTJ-BEKAIBRUSA-N 0 3 322.452 3.191 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C2 ZINC001109263539 1081794323 /nfs/dbraw/zinc/79/43/23/1081794323.db2.gz DUARNGJCPUELDA-MHORFTMASA-N 0 3 322.493 3.125 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1c(Cl)cccc1Cl ZINC001266432455 1081800016 /nfs/dbraw/zinc/80/00/16/1081800016.db2.gz ZNXLJWITQUFULP-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109345425 1081810328 /nfs/dbraw/zinc/81/03/28/1081810328.db2.gz SSYOGVWHDAMYBZ-ILXRZTDVSA-N 0 3 310.869 3.453 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C=C)c1ccccc1 ZINC001156672795 1081819040 /nfs/dbraw/zinc/81/90/40/1081819040.db2.gz YJYDRTPQPDBICQ-QGZVFWFLSA-N 0 3 300.446 3.313 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CCC1 ZINC001109392213 1081823366 /nfs/dbraw/zinc/82/33/66/1081823366.db2.gz VIPGBJWKIPTYAD-QYZOEREBSA-N 0 3 322.452 3.102 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1[C@H](C)c1ccc(F)cc1 ZINC001266461892 1081857813 /nfs/dbraw/zinc/85/78/13/1081857813.db2.gz YQUQOJJOGYSFQU-QAPCUYQASA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)CC(F)F)C2 ZINC001109538603 1081864429 /nfs/dbraw/zinc/86/44/29/1081864429.db2.gz KISUZZDFJBWUAZ-RDBSUJKOSA-N 0 3 314.420 3.356 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@H]3C2)CCCC1 ZINC001279416079 1081891960 /nfs/dbraw/zinc/89/19/60/1081891960.db2.gz LERAULZHNMPFDD-NAMYYYICSA-N 0 3 322.880 3.266 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)CCC1 ZINC001109683301 1081897918 /nfs/dbraw/zinc/89/79/18/1081897918.db2.gz GBSJBUOLPQOCQJ-FZKCQIBNSA-N 0 3 308.441 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C ZINC001104248714 1081899441 /nfs/dbraw/zinc/89/94/41/1081899441.db2.gz SCOOLAUHGVAOQN-RHSMWYFYSA-N 0 3 320.864 3.112 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)C(C)C)C2 ZINC001109765932 1081910873 /nfs/dbraw/zinc/91/08/73/1081910873.db2.gz IBDIEIQQJNRWIA-FYQPLNBISA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)C)no1)C2 ZINC001109796930 1081917158 /nfs/dbraw/zinc/91/71/58/1081917158.db2.gz MOYHYYMOYFCYLR-KBMXLJTQSA-N 0 3 317.433 3.099 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccoc2CCC)C1 ZINC001086533727 1081944757 /nfs/dbraw/zinc/94/47/57/1081944757.db2.gz XSAWMFJUIQBBCV-JOCQHMNTSA-N 0 3 310.825 3.083 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001266529413 1081954287 /nfs/dbraw/zinc/95/42/87/1081954287.db2.gz AZXDHFZJQATMKJ-AWEZNQCLSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)/C=C\c2ccco2)CCCCC1 ZINC001115385117 1081999131 /nfs/dbraw/zinc/99/91/31/1081999131.db2.gz YNVZEPJDDYVKIQ-FPLPWBNLSA-N 0 3 322.836 3.454 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001266567166 1082006383 /nfs/dbraw/zinc/00/63/83/1082006383.db2.gz XMMWDJMIPMABFK-LJQANCHMSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001266567835 1082006931 /nfs/dbraw/zinc/00/69/31/1082006931.db2.gz UVXGREACZVRSDS-OEKIROHGSA-N 0 3 318.848 3.289 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)c1ccccc1F ZINC001266575115 1082017161 /nfs/dbraw/zinc/01/71/61/1082017161.db2.gz CMTRTNOPZUQCFI-INIZCTEOSA-N 0 3 318.436 3.171 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)oc1C(F)(F)F ZINC001167385073 1082055712 /nfs/dbraw/zinc/05/57/12/1082055712.db2.gz SBHWTBLSYBDQAU-UHFFFAOYSA-N 0 3 324.730 3.069 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001266620220 1082085397 /nfs/dbraw/zinc/08/53/97/1082085397.db2.gz PLGDFWDUTCFLRU-LUSNEDCTSA-N 0 3 318.848 3.469 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)Cc1ccc(F)cc1)C1CC1 ZINC001266621374 1082087209 /nfs/dbraw/zinc/08/72/09/1082087209.db2.gz BRZMWAGZKLIHLH-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2)C1 ZINC001086572019 1082097852 /nfs/dbraw/zinc/09/78/52/1082097852.db2.gz AVNKPMFJXKAELF-VQTJNVASSA-N 0 3 320.436 3.461 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC001113071586 1082107436 /nfs/dbraw/zinc/10/74/36/1082107436.db2.gz HDYSVUMDWLFUQY-INIZCTEOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1 ZINC001113073807 1082108592 /nfs/dbraw/zinc/10/85/92/1082108592.db2.gz JKJBBDSSUQRJJQ-HNNXBMFYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001113123175 1082120612 /nfs/dbraw/zinc/12/06/12/1082120612.db2.gz LHKDAISBYDVGTI-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC001113266377 1082160994 /nfs/dbraw/zinc/16/09/94/1082160994.db2.gz XZLRZIDOWLGZFM-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001113290013 1082171618 /nfs/dbraw/zinc/17/16/18/1082171618.db2.gz RJYXHLHDXHKEOV-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2ccc(CC)cc2)C1 ZINC001266730398 1082174297 /nfs/dbraw/zinc/17/42/97/1082174297.db2.gz RNCJUPIRFAPTKC-CALCHBBNSA-N 0 3 320.864 3.171 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]1C ZINC001104353718 1082175749 /nfs/dbraw/zinc/17/57/49/1082175749.db2.gz GDGDXLRUSKRRAM-BPLDGKMQSA-N 0 3 314.901 3.495 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001266758390 1082195563 /nfs/dbraw/zinc/19/55/63/1082195563.db2.gz RZMHRZPEUJYNQI-ZDUSSCGKSA-N 0 3 306.372 3.123 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCC2CCCC2)C1 ZINC001266769998 1082204805 /nfs/dbraw/zinc/20/48/05/1082204805.db2.gz MWHKVUFWXLVOJX-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001266804360 1082226116 /nfs/dbraw/zinc/22/61/16/1082226116.db2.gz GWBWCVOOSBMIFJ-GJZGRUSLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CNCc2csc(C)n2)C1 ZINC001266805166 1082227637 /nfs/dbraw/zinc/22/76/37/1082227637.db2.gz WFAJCDDYPIHDBG-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1c1ccccc1 ZINC001211518885 1082245772 /nfs/dbraw/zinc/24/57/72/1082245772.db2.gz FUQFOMANOLZVPE-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC001266844443 1082259857 /nfs/dbraw/zinc/25/98/57/1082259857.db2.gz KREVBKXLCXHRLD-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC001266844444 1082260166 /nfs/dbraw/zinc/26/01/66/1082260166.db2.gz KREVBKXLCXHRLD-QGZVFWFLSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001167488630 1082268614 /nfs/dbraw/zinc/26/86/14/1082268614.db2.gz HMHPYZVJECMTRE-INIZCTEOSA-N 0 3 308.853 3.104 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CCCCC1 ZINC001111484233 1082293347 /nfs/dbraw/zinc/29/33/47/1082293347.db2.gz YLAYGAKPIHJHHP-KURKYZTESA-N 0 3 314.473 3.258 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CCCC)CC1 ZINC001266893484 1082311559 /nfs/dbraw/zinc/31/15/59/1082311559.db2.gz VUYDQHJWVAYADB-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1cc(C)cc(C)c1 ZINC001170265694 1082331817 /nfs/dbraw/zinc/33/18/17/1082331817.db2.gz HHUPQFHWMUOQOF-UHFFFAOYSA-N 0 3 308.853 3.084 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCC(NCc2ncc(C)s2)CC1 ZINC001266912725 1082332845 /nfs/dbraw/zinc/33/28/45/1082332845.db2.gz SDGWERIWFPEROT-UHFFFAOYSA-N 0 3 321.490 3.181 20 30 DGEDHN CCC(CC)(CC)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266918961 1082340163 /nfs/dbraw/zinc/34/01/63/1082340163.db2.gz BGDJYYGAGQAMOK-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN N#CC1(c2ccccc2)CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001170362299 1082353001 /nfs/dbraw/zinc/35/30/01/1082353001.db2.gz VHFRMINPYVLMLS-UHFFFAOYSA-N 0 3 322.387 3.330 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001266980283 1082398158 /nfs/dbraw/zinc/39/81/58/1082398158.db2.gz QCRUBPUVUSORPP-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001267008156 1082427245 /nfs/dbraw/zinc/42/72/45/1082427245.db2.gz DOPIQVGEPNMPBC-CVEARBPZSA-N 0 3 316.420 3.271 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2sc(C)nc2C)C1 ZINC001267021087 1082439042 /nfs/dbraw/zinc/43/90/42/1082439042.db2.gz RAQCAJCEJRKUFX-AWEZNQCLSA-N 0 3 321.490 3.053 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001170452423 1082478560 /nfs/dbraw/zinc/47/85/60/1082478560.db2.gz XSQNMIKTNUSJEO-UXHICEINSA-N 0 3 312.457 3.426 20 30 DGEDHN COC(=O)C1(C#N)CCN(CC[C@H]2CC=C(C)C2(C)C)CC1 ZINC001207276457 1082490155 /nfs/dbraw/zinc/49/01/55/1082490155.db2.gz WZHVXKYTFUXDNT-OAHLLOKOSA-N 0 3 304.434 3.148 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(CCC)cc2)C1 ZINC001267110527 1082527910 /nfs/dbraw/zinc/52/79/10/1082527910.db2.gz FBWOTKXBJMTWLX-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c[nH]c2ccccc21 ZINC001267138564 1082555765 /nfs/dbraw/zinc/55/57/65/1082555765.db2.gz WSKPOSAXNCJDMB-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccccc2C)C1 ZINC001086634427 1082568727 /nfs/dbraw/zinc/56/87/27/1082568727.db2.gz OWGSSZLZEZRNPC-LSDHHAIUSA-N 0 3 306.837 3.236 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c[nH]c2ccc(C)cc21 ZINC001267155770 1082575672 /nfs/dbraw/zinc/57/56/72/1082575672.db2.gz VDDXYOMRJMRCKM-ZDUSSCGKSA-N 0 3 319.836 3.327 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001267197136 1082626271 /nfs/dbraw/zinc/62/62/71/1082626271.db2.gz HHGPYDPBKQTVCV-QGZVFWFLSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001267210978 1082643294 /nfs/dbraw/zinc/64/32/94/1082643294.db2.gz QRHIMQYNPSXULD-HNNXBMFYSA-N 0 3 318.461 3.407 20 30 DGEDHN CC1(CC(=O)NCCNCc2cccc(C#N)c2)CCCCC1 ZINC001131140549 1082646499 /nfs/dbraw/zinc/64/64/99/1082646499.db2.gz ODCGHNLHFRJTGH-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN N#Cc1cccc(CNCCNC(=O)C2CCCCCCC2)c1 ZINC001131145991 1082647649 /nfs/dbraw/zinc/64/76/49/1082647649.db2.gz UNJUAZSPOYYAGX-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc(OC)c(C)c1 ZINC001267219615 1082653173 /nfs/dbraw/zinc/65/31/73/1082653173.db2.gz VZAXCAAGTHFWFP-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN CC[C@@H](C)C(=O)NCCCN(Cc1ccc(C#N)s1)C(C)C ZINC001267235402 1082678405 /nfs/dbraw/zinc/67/84/05/1082678405.db2.gz AADARNSUGRSDKK-CQSZACIVSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C1CCC(C(=O)NCCN(CC)Cc2ccccc2)CC1 ZINC001267251767 1082705985 /nfs/dbraw/zinc/70/59/85/1082705985.db2.gz PXWJEDVZFJDLEV-UHFFFAOYSA-N 0 3 300.446 3.371 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)CCCC)C[C@H]1c1ccccc1 ZINC001211590947 1082736978 /nfs/dbraw/zinc/73/69/78/1082736978.db2.gz ZWULDFRCVIBQIE-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C[C@@H](C)CC)C[C@H]1c1ccccc1 ZINC001211590710 1082737108 /nfs/dbraw/zinc/73/71/08/1082737108.db2.gz RPSFVXOFWORJOG-YTQUADARSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(C2CCC2)cc1 ZINC001267277224 1082738559 /nfs/dbraw/zinc/73/85/59/1082738559.db2.gz UNOFSSVFSMSLTO-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001267280065 1082741637 /nfs/dbraw/zinc/74/16/37/1082741637.db2.gz QPMFSYCZNAELAJ-SJORKVTESA-N 0 3 310.457 3.452 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001493303664 1082741960 /nfs/dbraw/zinc/74/19/60/1082741960.db2.gz DDRVMMIBYWFEQU-IAGOWNOFSA-N 0 3 304.478 3.076 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001267279228 1082742288 /nfs/dbraw/zinc/74/22/88/1082742288.db2.gz ZZZXIJINQGKSPP-LSDHHAIUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCc1cc(C)sc1C ZINC001267283908 1082747096 /nfs/dbraw/zinc/74/70/96/1082747096.db2.gz TZMFUEHJULEVAV-KRWDZBQOSA-N 0 3 320.502 3.454 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001131886439 1082753772 /nfs/dbraw/zinc/75/37/72/1082753772.db2.gz JJWWBXJKDABBQM-SJLPKXTDSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131934534 1082765031 /nfs/dbraw/zinc/76/50/31/1082765031.db2.gz KSGPDBGAYJHHGX-JKSUJKDBSA-N 0 3 322.493 3.317 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001131980262 1082780447 /nfs/dbraw/zinc/78/04/47/1082780447.db2.gz JXZUQEQNLKDQFM-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001131996328 1082788498 /nfs/dbraw/zinc/78/84/98/1082788498.db2.gz SUXFFIWUASJBNR-PKOBYXMFSA-N 0 3 312.457 3.268 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(CC2=CCCCC2)C1 ZINC001132016006 1082797271 /nfs/dbraw/zinc/79/72/71/1082797271.db2.gz CPVTVHSUOCDIIU-FUHWJXTLSA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)c(Cl)c1)C1CC1 ZINC001267332148 1082806882 /nfs/dbraw/zinc/80/68/82/1082806882.db2.gz DTSBAAMPOGYBMS-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(COC)CCCCC2)CC[C@H]1C ZINC001132102573 1082817640 /nfs/dbraw/zinc/81/76/40/1082817640.db2.gz XONPTPZMQJBLGT-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2ccccc2F)CC[C@@H]1C ZINC001132129227 1082824740 /nfs/dbraw/zinc/82/47/40/1082824740.db2.gz SJHPYBFYSXETJS-FJVHFBRSSA-N 0 3 316.420 3.384 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)cc2)CC[C@@H]1C ZINC001132160768 1082832101 /nfs/dbraw/zinc/83/21/01/1082832101.db2.gz RBPXJEIGDXJVIL-WMZOPIPTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)cc2C)CC[C@@H]1C ZINC001132207354 1082839453 /nfs/dbraw/zinc/83/94/53/1082839453.db2.gz TXAAIACVYYGPDM-HKUYNNGSSA-N 0 3 314.473 3.391 20 30 DGEDHN CC(C)CCCC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001267430633 1082881520 /nfs/dbraw/zinc/88/15/20/1082881520.db2.gz FKHHRLPKJOWBTE-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132368623 1082891530 /nfs/dbraw/zinc/89/15/30/1082891530.db2.gz OTFFCGIPSKARTL-ZWKOTPCHSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(CC)CCCC2)CC[C@H]1C ZINC001132396193 1082897933 /nfs/dbraw/zinc/89/79/33/1082897933.db2.gz BPDZWPPFLFUYLH-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cc(C)cc(C)c2)CC[C@H]1C ZINC001132410683 1082905146 /nfs/dbraw/zinc/90/51/46/1082905146.db2.gz MUVJCAHAAUANLY-IEBWSBKVSA-N 0 3 314.473 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001086682718 1082911806 /nfs/dbraw/zinc/91/18/06/1082911806.db2.gz DUZWHTKNCDNCEM-WDEREUQCSA-N 0 3 317.216 3.174 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CCCCCC)CC[C@H]1C ZINC001132459668 1082915846 /nfs/dbraw/zinc/91/58/46/1082915846.db2.gz CPNXICCDALMTQZ-IAGOWNOFSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCCCCC)CC[C@H]1C ZINC001132459670 1082915939 /nfs/dbraw/zinc/91/59/39/1082915939.db2.gz CPNXICCDALMTQZ-SJORKVTESA-N 0 3 310.482 3.129 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@H]1C ZINC001132501472 1082924498 /nfs/dbraw/zinc/92/44/98/1082924498.db2.gz XDIGAZPQHGAYDK-SJORKVTESA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2nc(C)c(C)s2)CC[C@H]1C ZINC001132489178 1082925423 /nfs/dbraw/zinc/92/54/23/1082925423.db2.gz HSBGLMHELWLREL-DOMZBBRYSA-N 0 3 321.490 3.309 20 30 DGEDHN CC(C)=CCN1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132504140 1082929113 /nfs/dbraw/zinc/92/91/13/1082929113.db2.gz GJOBEFWVKOCFHW-ICSRJNTNSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)s2)CC[C@@H]1C ZINC001132541180 1082936962 /nfs/dbraw/zinc/93/69/62/1082936962.db2.gz BFAUCDIOZHGPHD-ZFWWWQNUSA-N 0 3 306.475 3.144 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CCC)C(=O)c2nccs2)C1 ZINC001267487676 1082944481 /nfs/dbraw/zinc/94/44/81/1082944481.db2.gz FQOFKRGGZJYVFB-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](OC)C2CCCC2)C1 ZINC001267489145 1082945836 /nfs/dbraw/zinc/94/58/36/1082945836.db2.gz VKKVDSAWHHUSMD-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001132653115 1082968034 /nfs/dbraw/zinc/96/80/34/1082968034.db2.gz FPENOTQBNVCJAU-OAHLLOKOSA-N 0 3 316.445 3.036 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132658405 1082969824 /nfs/dbraw/zinc/96/98/24/1082969824.db2.gz FDYHEDVYDGPOAB-HOTGVXAUSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001132662884 1082974504 /nfs/dbraw/zinc/97/45/04/1082974504.db2.gz LLQVNHYEMPYREA-CHWSQXEVSA-N 0 3 310.388 3.334 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C=C)cc3)C(C)(C)[C@H]21 ZINC001087304886 1082976347 /nfs/dbraw/zinc/97/63/47/1082976347.db2.gz JAHFHDCLRJDXKI-QRVBRYPASA-N 0 3 322.452 3.182 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC001267518747 1082978599 /nfs/dbraw/zinc/97/85/99/1082978599.db2.gz CEXFQNVPUJWYKN-VQTJNVASSA-N 0 3 320.436 3.350 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(C2CCC2)CCC1)c1ccccc1 ZINC001267519484 1082979562 /nfs/dbraw/zinc/97/95/62/1082979562.db2.gz IGFDGIFIVIOVGF-IBGZPJMESA-N 0 3 324.468 3.427 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC001267523850 1082984151 /nfs/dbraw/zinc/98/41/51/1082984151.db2.gz XYFJVXDBQICJSE-RBUKOAKNSA-N 0 3 324.399 3.168 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(CC)cc1 ZINC001087315945 1082987638 /nfs/dbraw/zinc/98/76/38/1082987638.db2.gz KNWDWFIULYOXRN-CEXWTWQISA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001283632979 1082994269 /nfs/dbraw/zinc/99/42/69/1082994269.db2.gz UPXIKDPTJDYOKT-MRXNPFEDSA-N 0 3 314.473 3.448 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001267548776 1083018617 /nfs/dbraw/zinc/01/86/17/1083018617.db2.gz MQKBTWCCHUYZLH-FQEVSTJZSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267563542 1083043895 /nfs/dbraw/zinc/04/38/95/1083043895.db2.gz ZYAUEUBLDONSFF-IBGZPJMESA-N 0 3 324.468 3.079 20 30 DGEDHN CCCc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001133089282 1083048100 /nfs/dbraw/zinc/04/81/00/1083048100.db2.gz BZOHIFDRUHFBTF-UHFFFAOYSA-N 0 3 321.424 3.030 20 30 DGEDHN C=CCCC1(C(=O)NCCN[C@H](C)c2cccc(F)c2)CC1 ZINC001133379205 1083109961 /nfs/dbraw/zinc/10/99/61/1083109961.db2.gz WIBIDHKZVYJNRM-CQSZACIVSA-N 0 3 304.409 3.339 20 30 DGEDHN C=CCCC1(C(=O)NCCN[C@@H](C)c2cccc(F)c2)CC1 ZINC001133379204 1083110094 /nfs/dbraw/zinc/11/00/94/1083110094.db2.gz WIBIDHKZVYJNRM-AWEZNQCLSA-N 0 3 304.409 3.339 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC1CCC1 ZINC001133390654 1083113680 /nfs/dbraw/zinc/11/36/80/1083113680.db2.gz CBANOVCDCYQPFU-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)CCC ZINC001133392541 1083114576 /nfs/dbraw/zinc/11/45/76/1083114576.db2.gz BWIONUDPKNOVNX-OAHLLOKOSA-N 0 3 320.864 3.328 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C1(C)CCC1 ZINC001133401588 1083116833 /nfs/dbraw/zinc/11/68/33/1083116833.db2.gz HZYYYZKAHWGYKJ-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@H](CN(C)CCF)C1)c1ccccc1 ZINC001267596603 1083128425 /nfs/dbraw/zinc/12/84/25/1083128425.db2.gz NMSHDMRAAMMCKJ-SJORKVTESA-N 0 3 318.436 3.096 20 30 DGEDHN C[C@H](Nc1ccc2c(c1)COC21CNC1)c1cccc(C#N)c1 ZINC001167709669 1083144691 /nfs/dbraw/zinc/14/46/91/1083144691.db2.gz VIONOJMHBNXMBI-ZDUSSCGKSA-N 0 3 305.381 3.060 20 30 DGEDHN C[C@H]1NC[C@H]1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001218386744 1083160940 /nfs/dbraw/zinc/16/09/40/1083160940.db2.gz WMIGWXXRNBLTRY-QWWZWVQMSA-N 0 3 303.177 3.001 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1C ZINC001104650170 1083174665 /nfs/dbraw/zinc/17/46/65/1083174665.db2.gz CQIZZPYHBBCYNO-DTZQCDIJSA-N 0 3 312.885 3.249 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001481104363 1083176842 /nfs/dbraw/zinc/17/68/42/1083176842.db2.gz APZBMOKNODOLMB-HNNXBMFYSA-N 0 3 318.436 3.284 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(O)ccc1Cl ZINC001133883728 1083205731 /nfs/dbraw/zinc/20/57/31/1083205731.db2.gz FEYGEEQHEQVBIA-OLZOCXBDSA-N 0 3 324.852 3.385 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1ccc(C)cc1C)C1CC1 ZINC001481180212 1083227824 /nfs/dbraw/zinc/22/78/24/1083227824.db2.gz NCOJEVGZVAKBKZ-UHFFFAOYSA-N 0 3 314.473 3.393 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001267629147 1083231079 /nfs/dbraw/zinc/23/10/79/1083231079.db2.gz PICFMTXWHOZWPV-INIZCTEOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001267630015 1083233241 /nfs/dbraw/zinc/23/32/41/1083233241.db2.gz VHJAZKCSOOFVGT-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001267633625 1083236331 /nfs/dbraw/zinc/23/63/31/1083236331.db2.gz HEJJIQHOHOZODZ-AWEZNQCLSA-N 0 3 319.449 3.133 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001134201410 1083256664 /nfs/dbraw/zinc/25/66/64/1083256664.db2.gz OSPOHYCFBNKJQP-UONOGXRCSA-N 0 3 322.399 3.141 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](CN(C)C/C=C\Cl)C2)CCC1 ZINC001267681902 1083261089 /nfs/dbraw/zinc/26/10/89/1083261089.db2.gz BTIMBNOZILUNFB-ANOSYLROSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](CN(C)C/C=C/Cl)C2)CCC1 ZINC001267681903 1083261255 /nfs/dbraw/zinc/26/12/55/1083261255.db2.gz BTIMBNOZILUNFB-HYJLXUOHSA-N 0 3 310.869 3.266 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134285895 1083267556 /nfs/dbraw/zinc/26/75/56/1083267556.db2.gz YMPNPAMGGMOBBC-KFOKOMITSA-N 0 3 313.445 3.287 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001267704381 1083273008 /nfs/dbraw/zinc/27/30/08/1083273008.db2.gz OLVAKMPELPDXNI-IKGGRYGDSA-N 0 3 322.493 3.079 20 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/nfs/dbraw/zinc/30/93/30/1083309330.db2.gz CXOGYITYRJUZDZ-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001125870120 1083310111 /nfs/dbraw/zinc/31/01/11/1083310111.db2.gz AMZRNFFFEPWNFQ-OAHLLOKOSA-N 0 3 306.425 3.318 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(C)C(=O)c2cncs2)C1 ZINC001267756895 1083322842 /nfs/dbraw/zinc/32/28/42/1083322842.db2.gz OROAKUCRLWSGGX-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccc(Cl)cc2)C1 ZINC001267788026 1083347392 /nfs/dbraw/zinc/34/73/92/1083347392.db2.gz OXAUODGEYGXKTQ-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN CC[C@H](CNC(=O)C1CCCCC1)NCC#Cc1ccccc1 ZINC001267792906 1083351139 /nfs/dbraw/zinc/35/11/39/1083351139.db2.gz IQTNCCUCSFFQNU-LJQANCHMSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001267887265 1083519276 /nfs/dbraw/zinc/51/92/76/1083519276.db2.gz FXDRXKKXLNTTNA-GJZGRUSLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CCNCc2nccs2)CC1 ZINC001267912158 1083555299 /nfs/dbraw/zinc/55/52/99/1083555299.db2.gz NICBDKOADWNUHC-UHFFFAOYSA-N 0 3 321.490 3.074 20 30 DGEDHN CC(C)=CC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001267920219 1083571369 /nfs/dbraw/zinc/57/13/69/1083571369.db2.gz MKSKZKNMUMLIAZ-IYARVYRRSA-N 0 3 311.429 3.041 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC001267938395 1083605084 /nfs/dbraw/zinc/60/50/84/1083605084.db2.gz VIGVSHYAFJPLRZ-LSTHTHJFSA-N 0 3 322.452 3.018 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@]2(C)CCC[C@H]2CC)cc1 ZINC001267938491 1083605631 /nfs/dbraw/zinc/60/56/31/1083605631.db2.gz YFOPCKRUNPVWAZ-UYAOXDASSA-N 0 3 312.457 3.242 20 30 DGEDHN CCCCN(CC)[C@@H](C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC001182231426 1083649190 /nfs/dbraw/zinc/64/91/90/1083649190.db2.gz ITCCMDCZFYYUNH-QGZVFWFLSA-N 0 3 313.445 3.412 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)CNCc2nc(C)cs2)CC1 ZINC001268002000 1083724742 /nfs/dbraw/zinc/72/47/42/1083724742.db2.gz NEVWGAAACKKOQZ-CYBMUJFWSA-N 0 3 321.490 3.040 20 30 DGEDHN C/C=C(\C)C(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001481347086 1083799005 /nfs/dbraw/zinc/79/90/05/1083799005.db2.gz KDRPPUSOTLQMKN-BLLMUTORSA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccco2)C1 ZINC001087420059 1083817385 /nfs/dbraw/zinc/81/73/85/1083817385.db2.gz JVDGABASFSUKLB-QZTJIDSGSA-N 0 3 324.424 3.444 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccccc1F)c1ccccc1 ZINC001481362175 1083819719 /nfs/dbraw/zinc/81/97/19/1083819719.db2.gz OIMASYWMNFQVRI-GOSISDBHSA-N 0 3 312.388 3.463 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC(C)(C)C1CC1)c1ccccc1 ZINC001481365095 1083824584 /nfs/dbraw/zinc/82/45/84/1083824584.db2.gz MXVIAFGRZNGTTM-KRWDZBQOSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccoc1Cl)c1ccccc1 ZINC001481364111 1083824795 /nfs/dbraw/zinc/82/47/95/1083824795.db2.gz BBVZDKGIXYZSES-AWEZNQCLSA-N 0 3 304.777 3.180 20 30 DGEDHN CC(C)=CCN[C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 ZINC001481367520 1083827465 /nfs/dbraw/zinc/82/74/65/1083827465.db2.gz UZXLCMRWDGONRM-SFHVURJKSA-N 0 3 312.457 3.449 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(F)c1F)c1ccccc1 ZINC001481369205 1083829394 /nfs/dbraw/zinc/82/93/94/1083829394.db2.gz NDQGEFWXXSZAMO-INIZCTEOSA-N 0 3 316.351 3.212 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)cc1F)c1ccccc1 ZINC001481370831 1083830318 /nfs/dbraw/zinc/83/03/18/1083830318.db2.gz MSVWQQHUHNCAMA-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)cc1F)c1ccccc1 ZINC001481370830 1083830337 /nfs/dbraw/zinc/83/03/37/1083830337.db2.gz MSVWQQHUHNCAMA-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC001481373104 1083834799 /nfs/dbraw/zinc/83/47/99/1083834799.db2.gz UUTVARRFBLVAJW-QGZVFWFLSA-N 0 3 316.351 3.212 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)COc2ccsc2)C1 ZINC001481409761 1083882053 /nfs/dbraw/zinc/88/20/53/1083882053.db2.gz SKCGJKPYVJWLPN-HNNXBMFYSA-N 0 3 322.474 3.016 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268078993 1084114795 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C=CCCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2nccs2)C1 ZINC001268171942 1084281810 /nfs/dbraw/zinc/28/18/10/1084281810.db2.gz CIHKRSYLTMMEBW-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(C)c1 ZINC001268235284 1084377215 /nfs/dbraw/zinc/37/72/15/1084377215.db2.gz GXCFNKASBDDIPX-KRWDZBQOSA-N 0 3 300.446 3.250 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(Cc3cc(C)ccc3C)C2)C1 ZINC001481645103 1084382053 /nfs/dbraw/zinc/38/20/53/1084382053.db2.gz FZOMUWFWIQETPL-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001268241391 1084391740 /nfs/dbraw/zinc/39/17/40/1084391740.db2.gz ZTZLKVXDKPDQFN-GOSISDBHSA-N 0 3 300.446 3.073 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001268246725 1084401244 /nfs/dbraw/zinc/40/12/44/1084401244.db2.gz BYJIYEAUHQDZBP-AWEZNQCLSA-N 0 3 308.853 3.410 20 30 DGEDHN C=CCN1CCC(Nc2cc(Br)ccc2C#N)CC1 ZINC001185314592 1084412988 /nfs/dbraw/zinc/41/29/88/1084412988.db2.gz WYINLNXBTFMSIG-UHFFFAOYSA-N 0 3 320.234 3.383 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001268253231 1084413117 /nfs/dbraw/zinc/41/31/17/1084413117.db2.gz NBBYWYQRWAZLJI-ZWKOTPCHSA-N 0 3 300.446 3.065 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)C(C)(F)F)CC1 ZINC001167894179 1084432055 /nfs/dbraw/zinc/43/20/55/1084432055.db2.gz IMTCNQALRXVQPQ-UHFFFAOYSA-N 0 3 322.827 3.296 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(F)(F)F ZINC001481666599 1084457638 /nfs/dbraw/zinc/45/76/38/1084457638.db2.gz RNSAJAKHAGWLKO-STQMWFEESA-N 0 3 306.372 3.194 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001481674350 1084469019 /nfs/dbraw/zinc/46/90/19/1084469019.db2.gz MLKFLAPZYMWBHO-VJANTYMQSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)CCC1 ZINC001481677056 1084469492 /nfs/dbraw/zinc/46/94/92/1084469492.db2.gz VRKQSCMOBGJUKP-HOTGVXAUSA-N 0 3 304.478 3.454 20 30 DGEDHN CCN(Cc1ccc(Br)cc1C#N)C1CCOCC1 ZINC000716499031 1084508596 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C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](OCC)C2CCCC2)C1 ZINC001481771797 1084626328 /nfs/dbraw/zinc/62/63/28/1084626328.db2.gz QCPCHCHWBBLIGX-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001481778353 1084630331 /nfs/dbraw/zinc/63/03/31/1084630331.db2.gz VKCDJNHGZZUFHN-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001110379945 1084635837 /nfs/dbraw/zinc/63/58/37/1084635837.db2.gz HHSRJAVULZRPCU-FMKPAKJESA-N 0 3 321.490 3.449 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)N[C@H](C)c1ccc(F)cc1F ZINC001481809139 1084645465 /nfs/dbraw/zinc/64/54/65/1084645465.db2.gz IFDAXOGNPHTNDD-HIFRSBDPSA-N 0 3 322.399 3.170 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)N[C@@H](C)c1ccc(F)cc1F ZINC001481809142 1084645951 /nfs/dbraw/zinc/64/59/51/1084645951.db2.gz IFDAXOGNPHTNDD-ZFWWWQNUSA-N 0 3 322.399 3.170 20 30 DGEDHN CCC[C@@H](CC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001186631939 1084679202 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C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCc2ccns2)C1 ZINC001088359912 1086859621 /nfs/dbraw/zinc/85/96/21/1086859621.db2.gz LAAMCQITQFMQJE-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC(C)(F)F)C1 ZINC001088375554 1086870452 /nfs/dbraw/zinc/87/04/52/1086870452.db2.gz KPPOYLACTAUAPF-LBPRGKRZSA-N 0 3 308.800 3.145 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001088390350 1086903496 /nfs/dbraw/zinc/90/34/96/1086903496.db2.gz LTFMWNOZBIWXFS-LSDHHAIUSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001088392148 1086905367 /nfs/dbraw/zinc/90/53/67/1086905367.db2.gz BVFGDLSPZDYRKL-GJZGRUSLSA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2c[nH]cc2C)C1 ZINC001088425458 1086927107 /nfs/dbraw/zinc/92/71/07/1086927107.db2.gz VVSWJVBOIGOKOZ-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)Oc1cccc(C)c1 ZINC001168118463 1086937811 /nfs/dbraw/zinc/93/78/11/1086937811.db2.gz CNGRSFSWYNERCM-INIZCTEOSA-N 0 3 324.852 3.001 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(COC(C)C)cc1 ZINC001482648777 1087101129 /nfs/dbraw/zinc/10/11/29/1087101129.db2.gz VQZIVWPPBPGBCI-UHFFFAOYSA-N 0 3 318.461 3.192 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C(CC)(CC)c1ccccc1 ZINC001482650521 1087101640 /nfs/dbraw/zinc/10/16/40/1087101640.db2.gz VDNUJZYSSCUYRS-UHFFFAOYSA-N 0 3 302.462 3.321 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001211967508 1087105084 /nfs/dbraw/zinc/10/50/84/1087105084.db2.gz KZWFBVPVYALESO-HPKIFAADSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1nc(C)cs1 ZINC001482685885 1087148862 /nfs/dbraw/zinc/14/88/62/1087148862.db2.gz QMTZQPDIRWETPQ-ZIAGYGMSSA-N 0 3 321.490 3.038 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001482833280 1087167080 /nfs/dbraw/zinc/16/70/80/1087167080.db2.gz FDAZKDQDOZYODX-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1cccc(F)c1 ZINC001482948343 1087199476 /nfs/dbraw/zinc/19/94/76/1087199476.db2.gz SWZMLTNTTAJLAH-SFHVURJKSA-N 0 3 306.425 3.366 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC2CCC2)[C@H](OC)C1 ZINC001212100817 1087201767 /nfs/dbraw/zinc/20/17/67/1087201767.db2.gz WAXYMVHTDMLMAX-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)Cc2ccccc2C)C1 ZINC001272104880 1087203029 /nfs/dbraw/zinc/20/30/29/1087203029.db2.gz JHHKYSUVEBWTCR-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc(Cl)ccc1Cl ZINC001272158805 1087223413 /nfs/dbraw/zinc/22/34/13/1087223413.db2.gz WGCYMMWXBJKZJG-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN CCN(CC)Cc1cc(NC(=N)c2nccs2)ccc1OC ZINC001168283713 1087273261 /nfs/dbraw/zinc/27/32/61/1087273261.db2.gz JGEZNRVOZSXXGQ-UHFFFAOYSA-N 0 3 318.446 3.031 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(C(F)F)c2)[C@H]1C ZINC001088742030 1087327130 /nfs/dbraw/zinc/32/71/30/1087327130.db2.gz FYTZVJACAIJRQV-CJNGLKHVSA-N 0 3 322.399 3.322 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C(F)F)cc2)[C@H]1C ZINC001088742060 1087328045 /nfs/dbraw/zinc/32/80/45/1087328045.db2.gz HMILSRZVZCIKBE-CJNGLKHVSA-N 0 3 322.399 3.322 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)CCCCC)CC1 ZINC001279155396 1087341806 /nfs/dbraw/zinc/34/18/06/1087341806.db2.gz AMLBJNCXUZQCJP-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN CCC[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001483115445 1087360743 /nfs/dbraw/zinc/36/07/43/1087360743.db2.gz IMJLWEUOQOKMHW-HUUCEWRRSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)[C@H]1C ZINC001088823709 1087387439 /nfs/dbraw/zinc/38/74/39/1087387439.db2.gz AAFAGEVEIOITRA-DOMZBBRYSA-N 0 3 322.836 3.117 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001483157175 1087407011 /nfs/dbraw/zinc/40/70/11/1087407011.db2.gz CNBULNMCXCUIPC-VXGBXAGGSA-N 0 3 310.388 3.332 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001483157232 1087407048 /nfs/dbraw/zinc/40/70/48/1087407048.db2.gz DTRUCXILXCQCJQ-BZNIZROVSA-N 0 3 322.399 3.259 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)CNCC#Cc2ccccc2)CCC1 ZINC001483158813 1087408055 /nfs/dbraw/zinc/40/80/55/1087408055.db2.gz BNYMGCRWOCZHGS-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001483232529 1087434596 /nfs/dbraw/zinc/43/45/96/1087434596.db2.gz VMHYNKGGSLBJEL-HNNXBMFYSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1cccc(OC)c1 ZINC001483320908 1087468494 /nfs/dbraw/zinc/46/84/94/1087468494.db2.gz RZQSOOYSOBTQLX-GJZGRUSLSA-N 0 3 304.434 3.159 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(C)CCC(F)(F)CC1 ZINC001483475741 1087511370 /nfs/dbraw/zinc/51/13/70/1087511370.db2.gz XXXSHGBBTFLLNH-UHFFFAOYSA-N 0 3 322.827 3.393 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C)C1 ZINC001496599855 1087522485 /nfs/dbraw/zinc/52/24/85/1087522485.db2.gz ZSQWXRGWTRTNCD-GFCCVEGCSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCC(=O)N[C@H](CN[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC001483551339 1087522585 /nfs/dbraw/zinc/52/25/85/1087522585.db2.gz 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ZINC001088945118 1087608082 /nfs/dbraw/zinc/60/80/82/1087608082.db2.gz QTTMYZVMSBHLNJ-WBVHZDCISA-N 0 3 315.461 3.372 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001483668593 1087616292 /nfs/dbraw/zinc/61/62/92/1087616292.db2.gz JNEXMYJJQXYTNF-MRXNPFEDSA-N 0 3 313.445 3.038 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H]1C ZINC001089018658 1087622229 /nfs/dbraw/zinc/62/22/29/1087622229.db2.gz USVFGWRPPVOZDZ-ABAIWWIYSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)[C@H]1C ZINC001089050587 1087627754 /nfs/dbraw/zinc/62/77/54/1087627754.db2.gz KFXIJHMHDDFFIV-AHIWAGSCSA-N 0 3 322.399 3.223 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1C ZINC001089055311 1087627880 /nfs/dbraw/zinc/62/78/80/1087627880.db2.gz FHFCBAXNJNUGHC-NUJGCVRESA-N 0 3 300.446 3.254 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)[C@H]1C ZINC001089063372 1087629527 /nfs/dbraw/zinc/62/95/27/1087629527.db2.gz ACMMOOAEEIMCTG-FCEWJHQRSA-N 0 3 312.457 3.416 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001483677511 1087634519 /nfs/dbraw/zinc/63/45/19/1087634519.db2.gz KUQPASQERHGUKL-UYAOXDASSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2c(C)oc3ccccc32)[C@H]1C ZINC001089088810 1087634899 /nfs/dbraw/zinc/63/48/99/1087634899.db2.gz COAZZDJHKJRXGW-DYVFJYSZSA-N 0 3 312.413 3.049 20 30 DGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cnc(C(C)C)s2)[C@H]1C ZINC001089091684 1087636015 /nfs/dbraw/zinc/63/60/15/1087636015.db2.gz MJPILAWEPSPGEX-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@@H](C)OC ZINC001233809312 1087698294 /nfs/dbraw/zinc/69/82/94/1087698294.db2.gz IELQMIKACMLXAQ-SJORKVTESA-N 0 3 312.498 3.305 20 30 DGEDHN C#CCOc1ccccc1CNCCSCC(F)(F)F ZINC000698960078 1087714665 /nfs/dbraw/zinc/71/46/65/1087714665.db2.gz VAYQLVFAIDJMBQ-UHFFFAOYSA-N 0 3 303.349 3.084 20 30 DGEDHN CCCCCC(C)(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001151870432 1087803272 /nfs/dbraw/zinc/80/32/72/1087803272.db2.gz ZHPKJSIGFAZMNE-UHFFFAOYSA-N 0 3 321.490 3.432 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2C)CC(C)(C)C1 ZINC001089303975 1087806630 /nfs/dbraw/zinc/80/66/30/1087806630.db2.gz WTNPRXKGFVTLNQ-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151938013 1087831196 /nfs/dbraw/zinc/83/11/96/1087831196.db2.gz USOSPEAEGOVZJU-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C[C@H](NCCNC(=O)CC#Cc1ccccc1)c1cccc(F)c1 ZINC001151958655 1087841695 /nfs/dbraw/zinc/84/16/95/1087841695.db2.gz MUIRDCLGMMCMRR-INIZCTEOSA-N 0 3 324.399 3.034 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(C)ccc2F)C1 ZINC001272574623 1087847945 /nfs/dbraw/zinc/84/79/45/1087847945.db2.gz SIEUIXOXVOKOSZ-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cncc(C)c2)CCCCC1 ZINC001152010877 1087868483 /nfs/dbraw/zinc/86/84/83/1087868483.db2.gz SOYZODBUBXTRIG-UHFFFAOYSA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)ccc1F ZINC001158522401 1087890704 /nfs/dbraw/zinc/89/07/04/1087890704.db2.gz QCZUUWCJJIYZPJ-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](F)c1ccccc1 ZINC001158529445 1087894156 /nfs/dbraw/zinc/89/41/56/1087894156.db2.gz MKJKWHNPAGPJPJ-SJORKVTESA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)C ZINC001158673488 1087966464 /nfs/dbraw/zinc/96/64/64/1087966464.db2.gz JEFUOLHCMWRFKS-ZWKOTPCHSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(F)s2)CC1 ZINC001168476216 1088003550 /nfs/dbraw/zinc/00/35/50/1088003550.db2.gz VNWSAUWBSNMVAM-UHFFFAOYSA-N 0 3 316.829 3.129 20 30 DGEDHN CCC(C)(C)CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001158810433 1088039712 /nfs/dbraw/zinc/03/97/12/1088039712.db2.gz NGLLEOFSHLBSHT-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)c(C)s1 ZINC001158830117 1088059166 /nfs/dbraw/zinc/05/91/66/1088059166.db2.gz RNVAAQGTMUJCNE-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3ccccc3F)CC2)C1=O ZINC001272595599 1088103509 /nfs/dbraw/zinc/10/35/09/1088103509.db2.gz WBMLYZRLHOKBGO-LJQANCHMSA-N 0 3 316.420 3.216 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001159015078 1088139833 /nfs/dbraw/zinc/13/98/33/1088139833.db2.gz SMFUDRAZOYSWKC-UHFFFAOYSA-N 0 3 307.438 3.059 20 30 DGEDHN C=C(C)CCC(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001159040011 1088155348 /nfs/dbraw/zinc/15/53/48/1088155348.db2.gz CVNBDDHXZABYQT-ZDUSSCGKSA-N 0 3 310.388 3.478 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1coc2ccc(C)cc12 ZINC001159053950 1088160155 /nfs/dbraw/zinc/16/01/55/1088160155.db2.gz MEFFOKOEDVIVJF-UHFFFAOYSA-N 0 3 320.820 3.132 20 30 DGEDHN CCN(Cc1cc2ccccc2o1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232254 1088192642 /nfs/dbraw/zinc/19/26/42/1088192642.db2.gz ANCQQISWPZGWJS-OAHLLOKOSA-N 0 3 324.424 3.173 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2CCCCCC2)CC(C)(C)C1 ZINC001089338726 1088251273 /nfs/dbraw/zinc/25/12/73/1088251273.db2.gz LJCKSZVXZOWGFL-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN Cc1cccc(C(=O)N[C@@H](C)CCNCc2ccccc2C#N)c1 ZINC001272630219 1088347501 /nfs/dbraw/zinc/34/75/01/1088347501.db2.gz SRDPPADRQRLNSS-INIZCTEOSA-N 0 3 321.424 3.165 20 30 DGEDHN C=CCCC(=O)NCCC1=CCN(Cc2ccsc2)CC1 ZINC001159544269 1088388366 /nfs/dbraw/zinc/38/83/66/1088388366.db2.gz NODKKYUJRSMMNS-UHFFFAOYSA-N 0 3 304.459 3.353 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1CCCCC2 ZINC001153922654 1088409817 /nfs/dbraw/zinc/40/98/17/1088409817.db2.gz JVUBPBZBDNSWTC-MRXNPFEDSA-N 0 3 312.457 3.029 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC1CC(OC(C)(C)C)C1 ZINC001123337822 1088417168 /nfs/dbraw/zinc/41/71/68/1088417168.db2.gz UXBWWZOFOZUQKC-RUXDESIVSA-N 0 3 303.406 3.063 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(F)=C2CCCC2)CC(C)(C)C1 ZINC001089360321 1088496110 /nfs/dbraw/zinc/49/61/10/1088496110.db2.gz ONDSVZWYZMMALO-OAHLLOKOSA-N 0 3 306.425 3.024 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CSC(C)C ZINC001272662560 1088525276 /nfs/dbraw/zinc/52/52/76/1088525276.db2.gz KRAPDQPYJQYZPH-UHFFFAOYSA-N 0 3 306.475 3.062 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1occc1-c1ccccc1 ZINC001154237715 1088530293 /nfs/dbraw/zinc/53/02/93/1088530293.db2.gz BULFTKYOPDLMFL-MRXNPFEDSA-N 0 3 324.424 3.410 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2F)CC(C)(C)C1 ZINC001089377079 1088550223 /nfs/dbraw/zinc/55/02/23/1088550223.db2.gz JGTGHEBNIRUUCW-ZDUSSCGKSA-N 0 3 322.449 3.131 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001154295669 1088555042 /nfs/dbraw/zinc/55/50/42/1088555042.db2.gz HBDVAQHZHLZUIR-APWZRJJASA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC001160120517 1088648318 /nfs/dbraw/zinc/64/83/18/1088648318.db2.gz NIEZAOSMNIMUIL-GOEBONIOSA-N 0 3 314.429 3.341 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2csc(C)c2C)CC1 ZINC001160227452 1088710709 /nfs/dbraw/zinc/71/07/09/1088710709.db2.gz CGQUKAUZGKCXBZ-UHFFFAOYSA-N 0 3 304.459 3.303 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC(C)(C)C1 ZINC001089544375 1088727206 /nfs/dbraw/zinc/72/72/06/1088727206.db2.gz QZPNTAOTWXHNSZ-ULQDDVLXSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)CC(C)(C)C1 ZINC001089553605 1088740526 /nfs/dbraw/zinc/74/05/26/1088740526.db2.gz XCKDAKYCKMMADZ-GOSISDBHSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c2CCC3)CC(C)(C)C1 ZINC001089567296 1088755311 /nfs/dbraw/zinc/75/53/11/1088755311.db2.gz XUKBJUVTISURDD-KRWDZBQOSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CF)cc2)CC(C)(C)C1 ZINC001089566974 1088755582 /nfs/dbraw/zinc/75/55/82/1088755582.db2.gz UHILWORDHODLHQ-QGZVFWFLSA-N 0 3 316.420 3.010 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C/Cc1ccccc1 ZINC001160318984 1088755859 /nfs/dbraw/zinc/75/58/59/1088755859.db2.gz RELQXDUOJJRSNX-AATRIKPKSA-N 0 3 306.837 3.024 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C(C)(C)C2CCCC2)CC1 ZINC001160374457 1088768299 /nfs/dbraw/zinc/76/82/99/1088768299.db2.gz SPJKLHSLHLNYGV-UHFFFAOYSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2oc(C(F)F)cc2C)CC1 ZINC001160422738 1088795555 /nfs/dbraw/zinc/79/55/55/1088795555.db2.gz DRXROPDRRQSGCN-UHFFFAOYSA-N 0 3 324.371 3.464 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncs1 ZINC001089615771 1088821911 /nfs/dbraw/zinc/82/19/11/1088821911.db2.gz BVRPAGGSWPFKPG-CQSZACIVSA-N 0 3 321.490 3.330 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1C ZINC001089622010 1088830202 /nfs/dbraw/zinc/83/02/02/1088830202.db2.gz CLSKELXRKCYTMY-MRXNPFEDSA-N 0 3 315.461 3.187 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cscc1C ZINC001089623838 1088834700 /nfs/dbraw/zinc/83/47/00/1088834700.db2.gz UCUXIDTWWPJAIT-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001089623015 1088835923 /nfs/dbraw/zinc/83/59/23/1088835923.db2.gz MLMBXLYRNCHXSK-CQSZACIVSA-N 0 3 314.420 3.215 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1c(C)cc(C)cc1C ZINC001154986641 1088875370 /nfs/dbraw/zinc/87/53/70/1088875370.db2.gz CNYHSHQBQKKBCN-GOSISDBHSA-N 0 3 314.473 3.004 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)c(C)c1 ZINC001155011586 1088898121 /nfs/dbraw/zinc/89/81/21/1088898121.db2.gz YBTOGGIBXWBERP-CQSZACIVSA-N 0 3 306.837 3.112 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001089649484 1088912623 /nfs/dbraw/zinc/91/26/23/1088912623.db2.gz JXSCSGLQAROVFB-UONOGXRCSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001483815228 1088923096 /nfs/dbraw/zinc/92/30/96/1088923096.db2.gz OMKPHBOHXXKKDD-CYBMUJFWSA-N 0 3 312.885 3.488 20 30 DGEDHN C#C[C@@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(Cl)cc1 ZINC001160815676 1088980380 /nfs/dbraw/zinc/98/03/80/1088980380.db2.gz FIMUODKEMUAPRY-MRXNPFEDSA-N 0 3 318.848 3.395 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001089657299 1089019561 /nfs/dbraw/zinc/01/95/61/1089019561.db2.gz CLPBQBHAXPAWJA-HNNXBMFYSA-N 0 3 316.445 3.086 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001089657254 1089021160 /nfs/dbraw/zinc/02/11/60/1089021160.db2.gz BPYGXHHKHPUZDV-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1nc(Cl)c(F)cc1C#N ZINC001155248877 1089025748 /nfs/dbraw/zinc/02/57/48/1089025748.db2.gz ZJCRGTVANLUVLD-QMMMGPOBSA-N 0 3 315.739 3.104 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1nccc2ccc(C#N)cc21 ZINC001155253448 1089028734 /nfs/dbraw/zinc/02/87/34/1089028734.db2.gz ABPNJUCTJJOLEV-LBPRGKRZSA-N 0 3 313.364 3.465 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)nc2c1CCCCC2 ZINC001160952823 1089037628 /nfs/dbraw/zinc/03/76/28/1089037628.db2.gz CPGGUYZHXZDDKL-ZDUSSCGKSA-N 0 3 320.868 3.461 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001161008962 1089072442 /nfs/dbraw/zinc/07/24/42/1089072442.db2.gz YSQWBHZGGDYELK-UHFFFAOYSA-N 0 3 301.434 3.076 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)cc1C)C1CCN(CC(=C)C)CC1 ZINC001483989728 1089074388 /nfs/dbraw/zinc/07/43/88/1089074388.db2.gz VJXPXUJKJOSMIK-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2(C)CCCCC2)CC1 ZINC001161101519 1089114336 /nfs/dbraw/zinc/11/43/36/1089114336.db2.gz CPXZTTPUZFQTKA-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN C#CCCCCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001484041016 1089129754 /nfs/dbraw/zinc/12/97/54/1089129754.db2.gz PQXRXSDAMRCGLX-SFHVURJKSA-N 0 3 318.486 3.331 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001089685568 1089162222 /nfs/dbraw/zinc/16/22/22/1089162222.db2.gz DPXITWAWRWETGF-OAHLLOKOSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cccnc1C ZINC001089688380 1089171783 /nfs/dbraw/zinc/17/17/83/1089171783.db2.gz UBULVPXYTJSCFA-INIZCTEOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C)c(F)c2F)CC1 ZINC001161296846 1089182448 /nfs/dbraw/zinc/18/24/48/1089182448.db2.gz HVWAHUOEGJFYHL-UHFFFAOYSA-N 0 3 320.383 3.211 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC001484143693 1089221717 /nfs/dbraw/zinc/22/17/17/1089221717.db2.gz WFHGONQCEFGWSO-PIIMJCKOSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001161390776 1089223510 /nfs/dbraw/zinc/22/35/10/1089223510.db2.gz JOBNGFOMSNGQGC-MRXNPFEDSA-N 0 3 304.478 3.220 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001161390775 1089223736 /nfs/dbraw/zinc/22/37/36/1089223736.db2.gz JOBNGFOMSNGQGC-INIZCTEOSA-N 0 3 304.478 3.220 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccsc2Cl)CC1 ZINC001161397660 1089224535 /nfs/dbraw/zinc/22/45/35/1089224535.db2.gz DAWQVPQOJITVNL-UHFFFAOYSA-N 0 3 322.861 3.177 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001484168052 1089261048 /nfs/dbraw/zinc/26/10/48/1089261048.db2.gz VJQGBNVSLANJQK-SFHVURJKSA-N 0 3 303.450 3.156 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2coc(C(F)F)c2)C1 ZINC001484167288 1089262358 /nfs/dbraw/zinc/26/23/58/1089262358.db2.gz QYYNRFBWCDLXPX-KRWDZBQOSA-N 0 3 324.371 3.072 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2coc3ccccc23)CC1 ZINC001161585641 1089298546 /nfs/dbraw/zinc/29/85/46/1089298546.db2.gz RVHICFVSKVGVMJ-UHFFFAOYSA-N 0 3 324.424 3.300 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001089735965 1089319510 /nfs/dbraw/zinc/31/95/10/1089319510.db2.gz RVOSGRHWOAJSRB-HNNXBMFYSA-N 0 3 303.450 3.120 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(C)(C)C ZINC001089766315 1089345489 /nfs/dbraw/zinc/34/54/89/1089345489.db2.gz MRZIXHOOURAFCR-JONQDZQNSA-N 0 3 324.896 3.344 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC001161708999 1089359785 /nfs/dbraw/zinc/35/97/85/1089359785.db2.gz DCESKMNTFATGAZ-AWEZNQCLSA-N 0 3 318.383 3.289 20 30 DGEDHN Cc1cc(CN)nn1-c1c(C#N)c(Cl)nc2cccc(C)c21 ZINC001156044806 1089360968 /nfs/dbraw/zinc/36/09/68/1089360968.db2.gz SVHXOYJKEMNZPT-UHFFFAOYSA-N 0 3 311.776 3.021 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccc(F)s1 ZINC001272682008 1089370313 /nfs/dbraw/zinc/37/03/13/1089370313.db2.gz FPJAVEVKWXSPOV-UHFFFAOYSA-N 0 3 318.417 3.435 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001161738017 1089379574 /nfs/dbraw/zinc/37/95/74/1089379574.db2.gz OVPRDDOEYZIETO-UAPYVXQJSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC001161763488 1089388459 /nfs/dbraw/zinc/38/84/59/1089388459.db2.gz VBCRPVRGBBBFBT-UHFFFAOYSA-N 0 3 304.821 3.278 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc(C(C)C)c1 ZINC001161812317 1089416574 /nfs/dbraw/zinc/41/65/74/1089416574.db2.gz WCGRRQAKJRVINI-UHFFFAOYSA-N 0 3 308.853 3.201 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001161829207 1089430334 /nfs/dbraw/zinc/43/03/34/1089430334.db2.gz OZTOZAUENBZHOD-UHFFFAOYSA-N 0 3 324.468 3.008 20 30 DGEDHN CCC[NH+](CCC)CCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001161842305 1089435111 /nfs/dbraw/zinc/43/51/11/1089435111.db2.gz AHXXQCZRXWYBGY-UHFFFAOYSA-N 0 3 310.413 3.446 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2sccc2C)cc1 ZINC001272683694 1089441175 /nfs/dbraw/zinc/44/11/75/1089441175.db2.gz RABOVFFOZUCUGH-CQSZACIVSA-N 0 3 312.438 3.270 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC001161848649 1089441368 /nfs/dbraw/zinc/44/13/68/1089441368.db2.gz CFHTZZFVYXMKGK-UHFFFAOYSA-N 0 3 324.468 3.042 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CSCCC)cc1 ZINC001272683646 1089441683 /nfs/dbraw/zinc/44/16/83/1089441683.db2.gz QTYPWFZCHMGSBN-OAHLLOKOSA-N 0 3 318.486 3.120 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cccc(C)c2)cc1 ZINC001272683924 1089449650 /nfs/dbraw/zinc/44/96/50/1089449650.db2.gz SJPBRBKHKKEGDB-MRXNPFEDSA-N 0 3 306.409 3.209 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccn2C(C)C)CC1 ZINC001161883785 1089453314 /nfs/dbraw/zinc/45/33/14/1089453314.db2.gz DGWLFJOQWXVVBP-UHFFFAOYSA-N 0 3 301.434 3.007 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC001161924756 1089474455 /nfs/dbraw/zinc/47/44/55/1089474455.db2.gz JHZZVPVAGKXRLQ-KRWDZBQOSA-N 0 3 312.457 3.423 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1 ZINC001484559818 1089495397 /nfs/dbraw/zinc/49/53/97/1089495397.db2.gz LMQYRNIOTVQUCJ-GFCCVEGCSA-N 0 3 316.788 3.147 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(F)CCCCC2)cc1 ZINC001484561602 1089497131 /nfs/dbraw/zinc/49/71/31/1089497131.db2.gz CTTDJNNRGKJTNF-OAHLLOKOSA-N 0 3 316.420 3.259 20 30 DGEDHN Cc1nc(NCC2CN(Cc3ccccc3)C2)ccc1CC#N ZINC001156403298 1089507824 /nfs/dbraw/zinc/50/78/24/1089507824.db2.gz SRYUIMKAHKHYQG-UHFFFAOYSA-N 0 3 306.413 3.000 20 30 DGEDHN CCC(=O)N1CCCC[C@@H]1CNCC#Cc1cccc(Cl)c1 ZINC001484612310 1089529478 /nfs/dbraw/zinc/52/94/78/1089529478.db2.gz WUCWQHWNNWODGZ-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1ccccc1Cl ZINC001156475606 1089540076 /nfs/dbraw/zinc/54/00/76/1089540076.db2.gz NHGJKZQJBAKEPF-CQSZACIVSA-N 0 3 320.864 3.077 20 30 DGEDHN N#Cc1cc(Cl)cc(-n2cncc2CNCc2ccccc2)n1 ZINC001156482447 1089545284 /nfs/dbraw/zinc/54/52/84/1089545284.db2.gz LZPZGYOTEMIOCN-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)CCC1 ZINC001484642097 1089558543 /nfs/dbraw/zinc/55/85/43/1089558543.db2.gz MIEIIQYZCSLZLK-RBUKOAKNSA-N 0 3 324.468 3.222 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CCCc2ccsc2)CC1 ZINC001484716087 1089607745 /nfs/dbraw/zinc/60/77/45/1089607745.db2.gz CDZJYYPQLQNRFH-QGZVFWFLSA-N 0 3 318.486 3.065 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CCCC2CCCC2)CC1 ZINC001484727794 1089623563 /nfs/dbraw/zinc/62/35/63/1089623563.db2.gz GBNVVDVSRTYHOM-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc(Cl)sc1Cl ZINC001484745771 1089638834 /nfs/dbraw/zinc/63/88/34/1089638834.db2.gz RYAVZEOSMKBECA-UHFFFAOYSA-N 0 3 319.257 3.082 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001484761453 1089648835 /nfs/dbraw/zinc/64/88/35/1089648835.db2.gz UBZNRKWLLXZUEA-LPHOPBHVSA-N 0 3 306.494 3.252 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)Cc1cccc2ccccc21 ZINC001484763705 1089652204 /nfs/dbraw/zinc/65/22/04/1089652204.db2.gz BXFHNCIHCHCOOM-UHFFFAOYSA-N 0 3 322.452 3.186 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C\C ZINC001484822372 1089702554 /nfs/dbraw/zinc/70/25/54/1089702554.db2.gz PKYBBOYMVGFZGS-MCBDIONPSA-N 0 3 312.457 3.462 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)cc(Cl)c1 ZINC001162578275 1089802578 /nfs/dbraw/zinc/80/25/78/1089802578.db2.gz KRRVUUJCHOQOQJ-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H](C)N(CC)CC#CC)c1ccccc1 ZINC001157069092 1089809738 /nfs/dbraw/zinc/80/97/38/1089809738.db2.gz NDIRVYVHRRWHHL-QZTJIDSGSA-N 0 3 312.457 3.196 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCCC ZINC001485005368 1089844815 /nfs/dbraw/zinc/84/48/15/1089844815.db2.gz YTKBDBMPZGJGIE-LJQANCHMSA-N 0 3 312.457 3.306 20 30 DGEDHN C=CCCC(=O)N1CCC2(CC1)CN(CC/C=C\CC)CCO2 ZINC001485008197 1089846230 /nfs/dbraw/zinc/84/62/30/1089846230.db2.gz ILLHUYQLBQRLTJ-ALCCZGGFSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(CC)Cc2cc(C)no2)CC1 ZINC001485029230 1089856257 /nfs/dbraw/zinc/85/62/57/1089856257.db2.gz KZPZQLVOOBJULX-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1=CCCCC1 ZINC001485044062 1089860285 /nfs/dbraw/zinc/86/02/85/1089860285.db2.gz SUYJXXOSFNTVKB-TZIWHRDSSA-N 0 3 322.452 3.272 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)Cc1ccco1 ZINC001485045262 1089863458 /nfs/dbraw/zinc/86/34/58/1089863458.db2.gz QNXGXNPBLLVBHK-GDIGMMSISA-N 0 3 324.424 3.016 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CCCC)CC1 ZINC001485044534 1089864608 /nfs/dbraw/zinc/86/46/08/1089864608.db2.gz RKXWENXUCBPIHJ-RTBURBONSA-N 0 3 324.468 3.352 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C[C@H]1C=CCC1 ZINC001162688608 1089882884 /nfs/dbraw/zinc/88/28/84/1089882884.db2.gz LVEQDZXIMYKZST-FQEVSTJZSA-N 0 3 324.468 3.027 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2occc2s1 ZINC001485069535 1089903039 /nfs/dbraw/zinc/90/30/39/1089903039.db2.gz PJFJBWCBLNDZOR-GFCCVEGCSA-N 0 3 304.415 3.217 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C[C@H](C)CCC ZINC001162737798 1089913256 /nfs/dbraw/zinc/91/32/56/1089913256.db2.gz ORHGNBOFZYDUFL-GOSISDBHSA-N 0 3 314.473 3.107 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001157395375 1089943543 /nfs/dbraw/zinc/94/35/43/1089943543.db2.gz UGKYGDFENCXMOB-MRXNPFEDSA-N 0 3 310.441 3.327 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001157395102 1089944445 /nfs/dbraw/zinc/94/44/45/1089944445.db2.gz IEMUSQWTMPNOLC-CQSZACIVSA-N 0 3 322.399 3.262 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CC(CNCc2ncc(C)s2)C1 ZINC001485105658 1089959265 /nfs/dbraw/zinc/95/92/65/1089959265.db2.gz KXBYUCKDEQTJST-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(CCNCC#CC)CCc1ccccc1 ZINC001162888481 1090006655 /nfs/dbraw/zinc/00/66/55/1090006655.db2.gz VEXFYJIIOPTURM-UNOMPAQXSA-N 0 3 324.468 3.193 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C1(C)CC=CC1 ZINC001162918960 1090025191 /nfs/dbraw/zinc/02/51/91/1090025191.db2.gz JKZHWHTVVXWJDV-UHFFFAOYSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2cccs2)C1 ZINC001493939807 1090035864 /nfs/dbraw/zinc/03/58/64/1090035864.db2.gz UPLLXRJRNBPJAE-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1ccccc1 ZINC001485255537 1090064122 /nfs/dbraw/zinc/06/41/22/1090064122.db2.gz LGXFQDPDIOWMGA-UHFFFAOYSA-N 0 3 308.853 3.056 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485297950 1090087714 /nfs/dbraw/zinc/08/77/14/1090087714.db2.gz OWHLJHVTHFNZJQ-RDTXWAMCSA-N 0 3 316.420 3.053 20 30 DGEDHN C[C@@H](NCCCNC(=O)C#CC(C)(C)C)c1c(F)cccc1F ZINC001157736379 1090089908 /nfs/dbraw/zinc/08/99/08/1090089908.db2.gz GSIBZICAVQJDNW-CYBMUJFWSA-N 0 3 322.399 3.171 20 30 DGEDHN N#Cc1cnc(N[C@@H]2CNCc3ccsc32)c2ccccc12 ZINC001163219519 1090119802 /nfs/dbraw/zinc/11/98/02/1090119802.db2.gz AEXVDMVGQSDKRT-OAHLLOKOSA-N 0 3 306.394 3.424 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C)CCC1 ZINC001089847858 1090121180 /nfs/dbraw/zinc/12/11/80/1090121180.db2.gz YLHCYRRJAYPNOT-JONQDZQNSA-N 0 3 322.880 3.098 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001485359121 1090132885 /nfs/dbraw/zinc/13/28/85/1090132885.db2.gz URJVMRVVTXLHGI-SJLPKXTDSA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001485376227 1090136301 /nfs/dbraw/zinc/13/63/01/1090136301.db2.gz RUZDDGFPMQFMBJ-WBVHZDCISA-N 0 3 300.446 3.119 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2cncs2)CCCCC1 ZINC001485451597 1090160096 /nfs/dbraw/zinc/16/00/96/1090160096.db2.gz YGWXDDLKUYFVSQ-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2cc(C)ns2)CCCCC1 ZINC001485447384 1090165631 /nfs/dbraw/zinc/16/56/31/1090165631.db2.gz MZBFLYXDPNZVPH-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)CCOCC(C)C ZINC001158018562 1090173382 /nfs/dbraw/zinc/17/33/82/1090173382.db2.gz CGFCNLOHRNBXJT-GOSISDBHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001485480637 1090185191 /nfs/dbraw/zinc/18/51/91/1090185191.db2.gz WXBBYVXDGIFSFD-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001485480979 1090187203 /nfs/dbraw/zinc/18/72/03/1090187203.db2.gz VDOWQBHYUJMUKY-ROUUACIJSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001485482835 1090188133 /nfs/dbraw/zinc/18/81/33/1090188133.db2.gz RVVBTHLQSCIZBG-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCCCCCN1CC([C@H](C)NC(=O)C(=O)C(C)(C)C)C1 ZINC001485499419 1090193184 /nfs/dbraw/zinc/19/31/84/1090193184.db2.gz YFAFVRFVSFKANY-AWEZNQCLSA-N 0 3 310.482 3.009 20 30 DGEDHN CC(C)N(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C(C)C ZINC001163576589 1090214242 /nfs/dbraw/zinc/21/42/42/1090214242.db2.gz KJGINGBAJMQGPS-CYBMUJFWSA-N 0 3 318.421 3.049 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@](C)(CC)CCC)C[C@]2(C)C1 ZINC001485668767 1090234838 /nfs/dbraw/zinc/23/48/38/1090234838.db2.gz FNWLTYSVVCFUKE-GBESFXJTSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C(C)C)nc1 ZINC001485725095 1090251224 /nfs/dbraw/zinc/25/12/24/1090251224.db2.gz UVZBJWLBXFFNFR-CQSZACIVSA-N 0 3 323.868 3.446 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001485729115 1090258093 /nfs/dbraw/zinc/25/80/93/1090258093.db2.gz ASYOMALTLISBAV-YHUYYLMFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCCCCCN1CCC[C@@]12CCN([C@H](C)C(C)=O)C2=O ZINC001272701752 1090294902 /nfs/dbraw/zinc/29/49/02/1090294902.db2.gz LLHKCOHUSCKTJF-APWZRJJASA-N 0 3 320.477 3.167 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485823652 1090384247 /nfs/dbraw/zinc/38/42/47/1090384247.db2.gz VIRJCYPCFTWJOR-PKOBYXMFSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCNCc1cc(F)ccc1F ZINC001164324322 1090400870 /nfs/dbraw/zinc/40/08/70/1090400870.db2.gz SCAMPDFGMTUQCK-CYBMUJFWSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2c(C)coc2C)CC1 ZINC001164387608 1090419131 /nfs/dbraw/zinc/41/91/31/1090419131.db2.gz TVDITCVINUGJRG-UHFFFAOYSA-N 0 3 310.825 3.139 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107419116 1090434006 /nfs/dbraw/zinc/43/40/06/1090434006.db2.gz GODXXWWEXZLHCY-CZUORRHYSA-N 0 3 316.848 3.095 20 30 DGEDHN C=C(C)CCC(=O)NCCC1(CNCc2c(C)noc2C)CC1 ZINC001165258663 1090490587 /nfs/dbraw/zinc/49/05/87/1090490587.db2.gz KPDHVBHWTORHCX-UHFFFAOYSA-N 0 3 319.449 3.024 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001272765136 1090560758 /nfs/dbraw/zinc/56/07/58/1090560758.db2.gz OMWNXUXODSNOTO-RNQWEJQRSA-N 0 3 317.408 3.038 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001272765134 1090560994 /nfs/dbraw/zinc/56/09/94/1090560994.db2.gz OMWNXUXODSNOTO-KADHNRKRSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)C2CCC2)CC1 ZINC001166416854 1090604316 /nfs/dbraw/zinc/60/43/16/1090604316.db2.gz URQWFVRCUXJVCT-UHFFFAOYSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2CC3(CCC3)C2)CC1 ZINC001166737084 1090648227 /nfs/dbraw/zinc/64/82/27/1090648227.db2.gz NYEUUJYQZKNHPT-UHFFFAOYSA-N 0 3 310.869 3.195 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001167025449 1090696940 /nfs/dbraw/zinc/69/69/40/1090696940.db2.gz GPFGNJRNABTWEP-SFHVURJKSA-N 0 3 315.461 3.060 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(CC)CCC2)C12CCC2 ZINC001203305348 1090716438 /nfs/dbraw/zinc/71/64/38/1090716438.db2.gz WICPVPUUQHUTJP-KGLIPLIRSA-N 0 3 310.869 3.336 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001485892317 1090720832 /nfs/dbraw/zinc/72/08/32/1090720832.db2.gz OFNQGURRPDINTL-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001485911080 1090724415 /nfs/dbraw/zinc/72/44/15/1090724415.db2.gz AIOSHDMEPRKEBX-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203452422 1090737407 /nfs/dbraw/zinc/73/74/07/1090737407.db2.gz ONZOEBPSCKVAGW-KBPBESRZSA-N 0 3 310.869 3.358 20 30 DGEDHN CC[C@@H](C)CCCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001128158240 1090741282 /nfs/dbraw/zinc/74/12/82/1090741282.db2.gz CYOCXPNLUHGCNE-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCCC1CC1 ZINC001486083392 1090743749 /nfs/dbraw/zinc/74/37/49/1090743749.db2.gz CUMDRILOVJGOSA-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN CC(C)CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001486099156 1090747445 /nfs/dbraw/zinc/74/74/45/1090747445.db2.gz CCJDGDHTXVQVLV-KBPBESRZSA-N 0 3 319.474 3.135 20 30 DGEDHN CC(C)CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001486099157 1090747511 /nfs/dbraw/zinc/74/75/11/1090747511.db2.gz CCJDGDHTXVQVLV-KGLIPLIRSA-N 0 3 319.474 3.135 20 30 DGEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C1CC(C)(C)C1 ZINC001486109628 1090751432 /nfs/dbraw/zinc/75/14/32/1090751432.db2.gz PGEHEGIGNMIMAE-QFBILLFUSA-N 0 3 324.468 3.053 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203561144 1090756900 /nfs/dbraw/zinc/75/69/00/1090756900.db2.gz MGUWCXBPTKMTJF-SFHVURJKSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203561144 1090756906 /nfs/dbraw/zinc/75/69/06/1090756906.db2.gz MGUWCXBPTKMTJF-SFHVURJKSA-N 0 3 308.381 3.307 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H]1C ZINC001486170531 1090772520 /nfs/dbraw/zinc/77/25/20/1090772520.db2.gz JAZVRUGNEDYWHZ-HZPDHXFCSA-N 0 3 322.493 3.317 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(CC2=CCCCC2)[C@H]1C ZINC001486173851 1090774495 /nfs/dbraw/zinc/77/44/95/1090774495.db2.gz NSLHLCCFUSOKRZ-FUHWJXTLSA-N 0 3 302.462 3.115 20 30 DGEDHN COc1ccc(O)c(CN2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001203669540 1090777181 /nfs/dbraw/zinc/77/71/81/1090777181.db2.gz DZOWHKQFMVNOAJ-UHFFFAOYSA-N 0 3 322.408 3.458 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCOCCCC)[C@H]2C)C1 ZINC001486182228 1090779245 /nfs/dbraw/zinc/77/92/45/1090779245.db2.gz VDEGQPIPVPJVES-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001486185154 1090781939 /nfs/dbraw/zinc/78/19/39/1090781939.db2.gz FCJTUIKEJTWQGK-CVEARBPZSA-N 0 3 306.494 3.441 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)c1 ZINC001203764525 1090801064 /nfs/dbraw/zinc/80/10/64/1090801064.db2.gz SKMFUCYNJQEDPA-FQEVSTJZSA-N 0 3 317.392 3.473 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccc(F)c1)C2 ZINC001203785257 1090803741 /nfs/dbraw/zinc/80/37/41/1090803741.db2.gz LRVRZYDGNGQRPV-MOPGFXCFSA-N 0 3 319.420 3.399 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1nc(C(C)C)oc1C)C(C)C ZINC001486368846 1090810485 /nfs/dbraw/zinc/81/04/85/1090810485.db2.gz AHRGBCGLEUQDIX-UHFFFAOYSA-N 0 3 321.465 3.465 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(Cl)ccc1C)C(C)C ZINC001486376744 1090813374 /nfs/dbraw/zinc/81/33/74/1090813374.db2.gz JRRLEFIWNYVRGC-UHFFFAOYSA-N 0 3 320.864 3.454 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC#Cc1ccccc1)C(C)C ZINC001486380498 1090816819 /nfs/dbraw/zinc/81/68/19/1090816819.db2.gz JABVPBARSMVNSS-UHFFFAOYSA-N 0 3 312.457 3.173 20 30 DGEDHN CC(C)(C)[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccco1 ZINC001486384330 1090819063 /nfs/dbraw/zinc/81/90/63/1090819063.db2.gz YSWBVBOPDSWQOK-SFHVURJKSA-N 0 3 324.424 3.065 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001486441182 1090840783 /nfs/dbraw/zinc/84/07/83/1090840783.db2.gz LZJKZWKHSFVXKW-DLBZAZTESA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCC2(C)CC2)CC[C@H]1C(F)(F)F ZINC001486452539 1090843154 /nfs/dbraw/zinc/84/31/54/1090843154.db2.gz KCZRDVBIFSXDTL-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN CCN(CC)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001203939967 1090844167 /nfs/dbraw/zinc/84/41/67/1090844167.db2.gz HAQCJAJLZLPLAA-KRWDZBQOSA-N 0 3 316.470 3.307 20 30 DGEDHN CCN(CC)c1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001203939967 1090844172 /nfs/dbraw/zinc/84/41/72/1090844172.db2.gz HAQCJAJLZLPLAA-KRWDZBQOSA-N 0 3 316.470 3.307 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001486473176 1090848348 /nfs/dbraw/zinc/84/83/48/1090848348.db2.gz HRGVXHDYFCMOMQ-UHFFFAOYSA-N 0 3 321.490 3.133 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001128208925 1090906886 /nfs/dbraw/zinc/90/68/86/1090906886.db2.gz KJLSNMJWNRYSKY-UHFFFAOYSA-N 0 3 320.820 3.417 20 30 DGEDHN C=C(Br)CNCCCNC(=O)CCCCC(C)C ZINC001168715101 1090979567 /nfs/dbraw/zinc/97/95/67/1090979567.db2.gz DJLWSWBGGQAMFH-UHFFFAOYSA-N 0 3 319.287 3.207 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(C(C)(C)C)cc2)C1=O ZINC001273000866 1090980746 /nfs/dbraw/zinc/98/07/46/1090980746.db2.gz ZUEDDXPPHPSFJS-OAQYLSRUSA-N 0 3 324.468 3.184 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cc(C)cc(C)c3)CC2)C1=O ZINC001273006319 1090983577 /nfs/dbraw/zinc/98/35/77/1090983577.db2.gz RHQNWHGRMPJFIL-UHFFFAOYSA-N 0 3 312.457 3.304 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1C ZINC001273007187 1090984901 /nfs/dbraw/zinc/98/49/01/1090984901.db2.gz YVQYUBSEAVAKEF-QZTJIDSGSA-N 0 3 316.420 3.276 20 30 DGEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001273012416 1090993173 /nfs/dbraw/zinc/99/31/73/1090993173.db2.gz QFTYPAAVMGEUGI-UHFFFAOYSA-N 0 3 316.445 3.287 20 30 DGEDHN Cc1ccc(C#N)cc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001204563585 1091000640 /nfs/dbraw/zinc/00/06/40/1091000640.db2.gz BSQUBPCSLZQLKQ-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CC/C=C\CCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001273116694 1091053257 /nfs/dbraw/zinc/05/32/57/1091053257.db2.gz RWDSPZKHZKWZNK-LLHWWHOWSA-N 0 3 317.477 3.494 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc(C)c(Cl)cc2C)CCC1 ZINC001273134255 1091081686 /nfs/dbraw/zinc/08/16/86/1091081686.db2.gz RREYUJQKSIQUNK-UHFFFAOYSA-N 0 3 318.848 3.222 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108143575 1091142240 /nfs/dbraw/zinc/14/22/40/1091142240.db2.gz BXGFLYRQNLHBOW-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2CCc1cccc(F)c1 ZINC001273136644 1091147563 /nfs/dbraw/zinc/14/75/63/1091147563.db2.gz XPIHHDDSYQYGIK-IBGZPJMESA-N 0 3 316.420 3.011 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108148736 1091152762 /nfs/dbraw/zinc/15/27/62/1091152762.db2.gz NNZWPCUMZXMBAB-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN COc1ccc(Cl)cc1CN1CCC2SC(=O)C=C2C1 ZINC001138478181 1091198667 /nfs/dbraw/zinc/19/86/67/1091198667.db2.gz CZFSMQYBJYPWDO-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN C#CCOc1ccc(CN2CCC(n3nccc3C)CC2)cc1 ZINC001138560298 1091228620 /nfs/dbraw/zinc/22/86/20/1091228620.db2.gz QBCMAWCVTWRFFN-UHFFFAOYSA-N 0 3 309.413 3.041 20 30 DGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccc(F)c(C#N)c1)C2 ZINC001205467036 1091229333 /nfs/dbraw/zinc/22/93/33/1091229333.db2.gz GVAAQULNIADKJH-AEFFLSMTSA-N 0 3 302.393 3.336 20 30 DGEDHN C=CCc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(COC)C2)c1[O-] ZINC001138627483 1091260147 /nfs/dbraw/zinc/26/01/47/1091260147.db2.gz JIGYYPLDTKJPHH-MJGOQNOKSA-N 0 3 301.430 3.369 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)c1[O-] ZINC001138627483 1091260157 /nfs/dbraw/zinc/26/01/57/1091260157.db2.gz JIGYYPLDTKJPHH-MJGOQNOKSA-N 0 3 301.430 3.369 20 30 DGEDHN N#CCC1CCN(Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138622881 1091261441 /nfs/dbraw/zinc/26/14/41/1091261441.db2.gz YFCVVPPBRNXMMI-UHFFFAOYSA-N 0 3 308.385 3.395 20 30 DGEDHN C=CCc1cccc(CN2CCN(c3ncccc3C)CC2)c1O ZINC001138625621 1091261492 /nfs/dbraw/zinc/26/14/92/1091261492.db2.gz QRMXYZQDICDEAD-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCN(c3ncccc3C)CC2)c1[O-] ZINC001138625621 1091261498 /nfs/dbraw/zinc/26/14/98/1091261498.db2.gz QRMXYZQDICDEAD-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001138630267 1091263818 /nfs/dbraw/zinc/26/38/18/1091263818.db2.gz UNHGFTHQAIDYBT-MRXNPFEDSA-N 0 3 309.356 3.121 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001138630267 1091263821 /nfs/dbraw/zinc/26/38/21/1091263821.db2.gz UNHGFTHQAIDYBT-MRXNPFEDSA-N 0 3 309.356 3.121 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c1[O-] ZINC001138630241 1091264264 /nfs/dbraw/zinc/26/42/64/1091264264.db2.gz SVSWMNCSFSXGNE-INIZCTEOSA-N 0 3 305.393 3.214 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@H](C(=O)OC)[C@@H]1C ZINC001138665510 1091281102 /nfs/dbraw/zinc/28/11/02/1091281102.db2.gz NWOCRWHWLYXABU-RDJZCZTQSA-N 0 3 317.429 3.415 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@](C)(C(=O)OC)C1 ZINC001138665521 1091281469 /nfs/dbraw/zinc/28/14/69/1091281469.db2.gz OEHGASGPFXDTKG-IBGZPJMESA-N 0 3 317.429 3.417 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1cc(C)ccc1F)CC2 ZINC001205623800 1091283481 /nfs/dbraw/zinc/28/34/81/1091283481.db2.gz GALHUKCTKGEGBC-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C=CCOc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001139028952 1091422881 /nfs/dbraw/zinc/42/28/81/1091422881.db2.gz KLUUPBRUVNIMDA-INIZCTEOSA-N 0 3 301.411 3.026 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@](C)(C(=O)OC)C1 ZINC001139029514 1091423990 /nfs/dbraw/zinc/42/39/90/1091423990.db2.gz BJQKVGBLVSCAHP-SFHVURJKSA-N 0 3 303.402 3.027 20 30 DGEDHN N#C[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081294 1091441671 /nfs/dbraw/zinc/44/16/71/1091441671.db2.gz GCNNTKJBGUKXGZ-HNNXBMFYSA-N 0 3 308.385 3.395 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001084157354 1091448848 /nfs/dbraw/zinc/44/88/48/1091448848.db2.gz SNCXGRASQQBHRH-HUUCEWRRSA-N 0 3 304.459 3.169 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001084372247 1091484634 /nfs/dbraw/zinc/48/46/34/1091484634.db2.gz MPXXQYJOFKRDDN-HUUCEWRRSA-N 0 3 310.869 3.264 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3(c4ccccc4)CC3)[C@@H]2C1 ZINC001084395254 1091487027 /nfs/dbraw/zinc/48/70/27/1091487027.db2.gz LWFXGGVPCZBLQO-IEBWSBKVSA-N 0 3 324.468 3.217 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)CC1 ZINC001084631165 1091518023 /nfs/dbraw/zinc/51/80/23/1091518023.db2.gz FXTMNCGCSVAKLY-QZTJIDSGSA-N 0 3 302.462 3.232 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cccc(F)c3Cl)[C@@H]2C1 ZINC001084682877 1091531544 /nfs/dbraw/zinc/53/15/44/1091531544.db2.gz FSIIBLRSUJEAGC-IUODEOHRSA-N 0 3 322.811 3.202 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)CC3CCCCC3)[C@@H]2C1 ZINC001084697988 1091541034 /nfs/dbraw/zinc/54/10/34/1091541034.db2.gz FQGAIXASIVYZKP-BHIYHBOVSA-N 0 3 316.489 3.149 20 30 DGEDHN N#Cc1ccnc(-c2ccc(CN3CC4(C3)CCOCC4)cc2)c1 ZINC001139403165 1091547123 /nfs/dbraw/zinc/54/71/23/1091547123.db2.gz JZZVYHHCWKOCBO-UHFFFAOYSA-N 0 3 319.408 3.233 20 30 DGEDHN CCCN1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406718 1091549724 /nfs/dbraw/zinc/54/97/24/1091549724.db2.gz CRPRBFOFHDJPQL-UHFFFAOYSA-N 0 3 320.440 3.148 20 30 DGEDHN CN(C)c1ccc(CN2CCC(c3cccc(C#N)c3)CC2)cn1 ZINC001139456582 1091564489 /nfs/dbraw/zinc/56/44/89/1091564489.db2.gz IMTGBSWCKTVRMK-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN C=C[C@H](C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21)c1ccccc1 ZINC001084847128 1091586455 /nfs/dbraw/zinc/58/64/55/1091586455.db2.gz LBDDBBLZVNGAHD-CEXWTWQISA-N 0 3 310.441 3.065 20 30 DGEDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001139530393 1091588508 /nfs/dbraw/zinc/58/85/08/1091588508.db2.gz CZGNRWGEKGDNKW-HIFRSBDPSA-N 0 3 318.392 3.109 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCCN(C)C[C@@H]1CC ZINC001139628115 1091628135 /nfs/dbraw/zinc/62/81/35/1091628135.db2.gz PAJZHJSJBSZZTR-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)C[C@@H]21 ZINC001085041283 1091647337 /nfs/dbraw/zinc/64/73/37/1091647337.db2.gz ADVBYKVEOPOMKR-TVFCKZIOSA-N 0 3 316.489 3.312 20 30 DGEDHN N#Cc1cccc2c(CN3CC[C@]4(C3)CC(F)(F)CO4)c[nH]c21 ZINC001139706338 1091648570 /nfs/dbraw/zinc/64/85/70/1091648570.db2.gz RULXMXBBGKGNCQ-MRXNPFEDSA-N 0 3 317.339 3.040 20 30 DGEDHN Cc1ccc(CN2CCN(C)[C@H](c3ccccc3)C2)cc1C#N ZINC001139724492 1091654352 /nfs/dbraw/zinc/65/43/52/1091654352.db2.gz UHOKPCDENRSQBA-FQEVSTJZSA-N 0 3 305.425 3.355 20 30 DGEDHN Cc1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1C#N ZINC001139726466 1091656494 /nfs/dbraw/zinc/65/64/94/1091656494.db2.gz PRQWTURGTBFPNP-SFTDATJTSA-N 0 3 317.436 3.325 20 30 DGEDHN Cc1ccc(CN2CC[C@H](Oc3ccncc3C)C2)cc1C#N ZINC001139727448 1091656672 /nfs/dbraw/zinc/65/66/72/1091656672.db2.gz REUSDYCHISJBIP-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)[C@@H]1C ZINC001139726322 1091656732 /nfs/dbraw/zinc/65/67/32/1091656732.db2.gz IFXCRPVLCYKQIJ-PBHICJAKSA-N 0 3 300.402 3.030 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCCCC ZINC001098961074 1091687048 /nfs/dbraw/zinc/68/70/48/1091687048.db2.gz VKDGCPAEAYJFPV-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CSC ZINC001098971401 1091699305 /nfs/dbraw/zinc/69/93/05/1091699305.db2.gz NWPXJRSFVXRPFQ-CABCVRRESA-N 0 3 312.523 3.168 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2occc2[nH]1 ZINC001085215652 1091717280 /nfs/dbraw/zinc/71/72/80/1091717280.db2.gz HUIJEMDQJSNWOJ-VXGBXAGGSA-N 0 3 321.808 3.144 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202985102 1091719428 /nfs/dbraw/zinc/71/94/28/1091719428.db2.gz BEOIADWEYZEKCL-LSDHHAIUSA-N 0 3 319.474 3.016 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001206801096 1091746243 /nfs/dbraw/zinc/74/62/43/1091746243.db2.gz SFVLCCCOZPOWNL-LLVKDONJSA-N 0 3 312.291 3.459 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCC(F)CC1 ZINC001085321159 1091746775 /nfs/dbraw/zinc/74/67/75/1091746775.db2.gz IVDNIVQWWTYDNP-NEXFUWMNSA-N 0 3 316.848 3.284 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccn1C(C)C ZINC001085424696 1091772571 /nfs/dbraw/zinc/77/25/71/1091772571.db2.gz DHGBVKVYFFCDAF-HUUCEWRRSA-N 0 3 323.868 3.452 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2ccc(C#N)cc2F)CC1 ZINC001140137038 1091781005 /nfs/dbraw/zinc/78/10/05/1091781005.db2.gz XVMHMZXJHPNZLW-UHFFFAOYSA-N 0 3 324.403 3.140 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2Cl)C1 ZINC001207055788 1091831942 /nfs/dbraw/zinc/83/19/42/1091831942.db2.gz NZVFJJPIXKNVMX-MRXNPFEDSA-N 0 3 318.848 3.072 20 30 DGEDHN COC1(c2ccccc2)CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC001207108685 1091845941 /nfs/dbraw/zinc/84/59/41/1091845941.db2.gz IGVISKUJFXMWCG-UHFFFAOYSA-N 0 3 309.413 3.034 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nsc2ccccc21 ZINC001085611033 1091853629 /nfs/dbraw/zinc/85/36/29/1091853629.db2.gz HIAGEJPKNTXPEI-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN Cc1ncccc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001207154243 1091864895 /nfs/dbraw/zinc/86/48/95/1091864895.db2.gz BYKQMYAXEOYHHE-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)noc1C(C)C ZINC001085653045 1091870778 /nfs/dbraw/zinc/87/07/78/1091870778.db2.gz KXSFMAPYGTUKAR-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1cc(F)ccc1F ZINC001297373498 1091870810 /nfs/dbraw/zinc/87/08/10/1091870810.db2.gz VYDARRKCYXUPMY-UHFFFAOYSA-N 0 3 324.415 3.254 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654144 1091872216 /nfs/dbraw/zinc/87/22/16/1091872216.db2.gz IWDFEQQVDMGOBS-SFHVURJKSA-N 0 3 315.461 3.147 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001297380364 1091872304 /nfs/dbraw/zinc/87/23/04/1091872304.db2.gz XDCCHWWBJOIYEV-OAHLLOKOSA-N 0 3 306.425 3.286 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)cc2ccoc21 ZINC001085684219 1091881835 /nfs/dbraw/zinc/88/18/35/1091881835.db2.gz MOZZGVXNQDIHBJ-HNNXBMFYSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCN(CCN1CC[C@]2(C1)CCCCO2)C(=O)OC(C)(C)C ZINC001207198531 1091884802 /nfs/dbraw/zinc/88/48/02/1091884802.db2.gz GDMBPZMQULKWKB-SFHVURJKSA-N 0 3 324.465 3.055 20 30 DGEDHN CCCCCCCN1C[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC001207223481 1091892044 /nfs/dbraw/zinc/89/20/44/1091892044.db2.gz YXEMDFURUKTATH-ZIAGYGMSSA-N 0 3 309.479 3.164 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085816786 1091953487 /nfs/dbraw/zinc/95/34/87/1091953487.db2.gz GQPRQBJNCJTAFE-INIZCTEOSA-N 0 3 315.461 3.395 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1Cl ZINC001085840197 1091964960 /nfs/dbraw/zinc/96/49/60/1091964960.db2.gz BRVSLHIVVMKGNI-LBPRGKRZSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1Cl ZINC001085840196 1091965708 /nfs/dbraw/zinc/96/57/08/1091965708.db2.gz BRVSLHIVVMKGNI-GFCCVEGCSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC001085854690 1091982845 /nfs/dbraw/zinc/98/28/45/1091982845.db2.gz FHQWWYYHLXMBKC-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CN(Cc3ccc(C)cc3)C[C@H]2C)CCC1 ZINC001207510433 1091998409 /nfs/dbraw/zinc/99/84/09/1091998409.db2.gz QCOVELKWQOSKPI-IEBWSBKVSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCC(C(F)F)CC1 ZINC001085952776 1092040515 /nfs/dbraw/zinc/04/05/15/1092040515.db2.gz KQYHINBQDYQMDJ-NRXISQOPSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085954841 1092043838 /nfs/dbraw/zinc/04/38/38/1092043838.db2.gz KVSNXWDGVHGTPX-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001085955889 1092046156 /nfs/dbraw/zinc/04/61/56/1092046156.db2.gz NEDXDCAJQBRHPV-SFHVURJKSA-N 0 3 300.446 3.362 20 30 DGEDHN Cc1ccncc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001141036256 1092115086 /nfs/dbraw/zinc/11/50/86/1092115086.db2.gz PMTRMMJECLVRBK-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207914739 1092140792 /nfs/dbraw/zinc/14/07/92/1092140792.db2.gz NWEMTHKVMDMCBO-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207915722 1092142773 /nfs/dbraw/zinc/14/27/73/1092142773.db2.gz YXGJFHOXNNQCRH-MJGOQNOKSA-N 0 3 312.457 3.055 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207915720 1092142842 /nfs/dbraw/zinc/14/28/42/1092142842.db2.gz YXGJFHOXNNQCRH-HKUYNNGSSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C[C@@H](C(=O)N1CCN(C)C2(CCCCC2)C1)c1ccccc1 ZINC001141157971 1092156543 /nfs/dbraw/zinc/15/65/43/1092156543.db2.gz PSSNJDQDYBPFLT-GOSISDBHSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001207979349 1092167435 /nfs/dbraw/zinc/16/74/35/1092167435.db2.gz NVZRDZCGLIDKPN-VQIMIIECSA-N 0 3 314.473 3.365 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2occ3c2CCCC3)C1 ZINC001086261851 1092181823 /nfs/dbraw/zinc/18/18/23/1092181823.db2.gz WQPSYJIGBJQONN-XBXGTLAGSA-N 0 3 322.836 3.009 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCCC3CC3)C2)CC1 ZINC001316667864 1092199899 /nfs/dbraw/zinc/19/98/99/1092199899.db2.gz ASBRFDIUFUTPKZ-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)CCN1C ZINC001141295982 1092200797 /nfs/dbraw/zinc/20/07/97/1092200797.db2.gz QPMTVIIYBOSLBQ-MRXNPFEDSA-N 0 3 321.424 3.486 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001491676625 1092207251 /nfs/dbraw/zinc/20/72/51/1092207251.db2.gz LVGXVRUADKCUMR-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001491832889 1092246870 /nfs/dbraw/zinc/24/68/70/1092246870.db2.gz VPMSIEINXCRGJP-LJIOFZCZSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001208240565 1092289881 /nfs/dbraw/zinc/28/98/81/1092289881.db2.gz OIPHTZJYEIMMJM-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2c(C)nsc2C)C1 ZINC001208255150 1092292787 /nfs/dbraw/zinc/29/27/87/1092292787.db2.gz BXNAXAJDLBNJJH-HNNXBMFYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001208251889 1092292892 /nfs/dbraw/zinc/29/28/92/1092292892.db2.gz BZQHUOZRPKEFQV-INIZCTEOSA-N 0 3 304.409 3.263 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001086517570 1092309102 /nfs/dbraw/zinc/30/91/02/1092309102.db2.gz RKOSMBPCDVXMNJ-YHUYYLMFSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3occc3s2)C1 ZINC001491946578 1092315878 /nfs/dbraw/zinc/31/58/78/1092315878.db2.gz FHPZXNXEXCRCSH-CYBMUJFWSA-N 0 3 316.426 3.054 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001086521647 1092317266 /nfs/dbraw/zinc/31/72/66/1092317266.db2.gz YEZBNDAXWQSGQJ-JKQORVJESA-N 0 3 312.885 3.296 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CC(CC)CC)C1 ZINC001108305821 1092327439 /nfs/dbraw/zinc/32/74/39/1092327439.db2.gz AOBRUSIIHNFJRX-LPHOPBHVSA-N 0 3 324.509 3.375 20 30 DGEDHN N#Cc1cc(CNCCNc2ccc3ccccc3n2)cs1 ZINC001203114197 1092341197 /nfs/dbraw/zinc/34/11/97/1092341197.db2.gz YXQSTUJFWXKEGQ-UHFFFAOYSA-N 0 3 308.410 3.370 20 30 DGEDHN CC(C)(C)CCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001168795719 1092366366 /nfs/dbraw/zinc/36/63/66/1092366366.db2.gz RLNZNOLEFXEFRA-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2cccc(C)c2)CC1 ZINC001492129250 1092395477 /nfs/dbraw/zinc/39/54/77/1092395477.db2.gz MTWGVQGLEXTJEO-OAHLLOKOSA-N 0 3 320.864 3.264 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001208575489 1092402881 /nfs/dbraw/zinc/40/28/81/1092402881.db2.gz PLXWAVKOCBUUDE-FRQCXROJSA-N 0 3 314.473 3.365 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCC[C@@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001168866887 1092404351 /nfs/dbraw/zinc/40/43/51/1092404351.db2.gz VGVWHGOEQQTSEE-QLFBSQMISA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCC[C@@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168863946 1092404666 /nfs/dbraw/zinc/40/46/66/1092404666.db2.gz KXDUIACRRZYABJ-RBSFLKMASA-N 0 3 307.438 3.010 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC001168925426 1092426234 /nfs/dbraw/zinc/42/62/34/1092426234.db2.gz OVWWNIWYMCPKCA-BXWFABGCSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CC(C(C)(C)C)C1 ZINC001492133727 1092430481 /nfs/dbraw/zinc/43/04/81/1092430481.db2.gz PVQYWXWGPHTHIA-IYXRBSQSSA-N 0 3 300.874 3.296 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C=C(CC)CC)C2)CC1 ZINC001316671434 1092445388 /nfs/dbraw/zinc/44/53/88/1092445388.db2.gz SITBGHJLPHGNEX-QGZVFWFLSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001492387404 1092493241 /nfs/dbraw/zinc/49/32/41/1092493241.db2.gz VYEPVHKMSGUVJR-VXGBXAGGSA-N 0 3 312.866 3.129 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3csc(Cl)c3)C2)C1=O ZINC001142761671 1092544654 /nfs/dbraw/zinc/54/46/54/1092544654.db2.gz AKWPKRNKRVMKSH-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN CN1CCN(CCCc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC001208856183 1092545854 /nfs/dbraw/zinc/54/58/54/1092545854.db2.gz CAFMUMSIDTUWAO-OAQYLSRUSA-N 0 3 319.452 3.480 20 30 DGEDHN Cc1ccc2c(n1)N(C)CCN(CCCc1ccc(C#N)cc1)C2 ZINC001208858052 1092546831 /nfs/dbraw/zinc/54/68/31/1092546831.db2.gz DBGHJCAMSNOFLT-UHFFFAOYSA-N 0 3 320.440 3.146 20 30 DGEDHN CN1CCN(CCCc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC001208858907 1092548355 /nfs/dbraw/zinc/54/83/55/1092548355.db2.gz ATJNJJBOFDOWLV-NRFANRHFSA-N 0 3 319.452 3.480 20 30 DGEDHN N#Cc1ccc(CCCN2CCN(c3cccc(F)c3)CC2)cc1 ZINC001208864761 1092550240 /nfs/dbraw/zinc/55/02/40/1092550240.db2.gz RWUOJCPXLVGJMQ-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1ccc2c(CN3CCC4(CCCOC4)CC3)c[nH]c2c1 ZINC001142925768 1092586195 /nfs/dbraw/zinc/58/61/95/1092586195.db2.gz CJFVYVNJHGCISM-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN CN1CC=C(Nc2cc(F)c(Br)cc2C#N)CC1 ZINC001208978408 1092614304 /nfs/dbraw/zinc/61/43/04/1092614304.db2.gz CAYWYHUZFWPNIC-UHFFFAOYSA-N 0 3 310.170 3.091 20 30 DGEDHN Cc1cc(C)c2c(c1)CN(C[C@H](O)c1cccc(C#N)c1)CC2 ZINC001169418868 1092678388 /nfs/dbraw/zinc/67/83/88/1092678388.db2.gz CAFCFLLQGVAGOI-FQEVSTJZSA-N 0 3 306.409 3.267 20 30 DGEDHN Cc1cc(C)c2c(c1)CN(C[C@@H](O)c1cccc(C#N)c1)CC2 ZINC001169418869 1092679154 /nfs/dbraw/zinc/67/91/54/1092679154.db2.gz CAFCFLLQGVAGOI-HXUWFJFHSA-N 0 3 306.409 3.267 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001329592365 1092770094 /nfs/dbraw/zinc/77/00/94/1092770094.db2.gz NTIXLUSTFOYAPG-QWRGUYRKSA-N 0 3 300.855 3.128 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001150579527 1092797172 /nfs/dbraw/zinc/79/71/72/1092797172.db2.gz NFYARCFCFCQHLJ-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001150796647 1092826969 /nfs/dbraw/zinc/82/69/69/1092826969.db2.gz WXHQMBSLEQYZBB-ZWKOTPCHSA-N 0 3 324.509 3.232 20 30 DGEDHN Cc1[nH]c2ncccc2c1CN1CCc2cc(C#N)ccc2C1 ZINC001209586332 1092836058 /nfs/dbraw/zinc/83/60/58/1092836058.db2.gz XPBWMTPNRDLUQI-UHFFFAOYSA-N 0 3 302.381 3.301 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C[C@H](C)C(C)C)CC1 ZINC001151007419 1092851942 /nfs/dbraw/zinc/85/19/42/1092851942.db2.gz MDFCSNFSDSVVKH-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN COc1cc(CN2CCC(c3cccc(C#N)c3)CC2)ccn1 ZINC001209641403 1092858350 /nfs/dbraw/zinc/85/83/50/1092858350.db2.gz DFPRUKUPBSEVPX-UHFFFAOYSA-N 0 3 307.397 3.341 20 30 DGEDHN CCCN1CCc2c(N)sc(Nc3cccnc3C#N)c2C1 ZINC001210145593 1093059340 /nfs/dbraw/zinc/05/93/40/1093059340.db2.gz NBGQZXIKVFXVGB-UHFFFAOYSA-N 0 3 313.430 3.109 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCC(C)(C)c2ccccc2)C1 ZINC001211445796 1093496987 /nfs/dbraw/zinc/49/69/87/1093496987.db2.gz PFVJWFJKVMQGJB-SJLPKXTDSA-N 0 3 314.473 3.367 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001211482180 1093506383 /nfs/dbraw/zinc/50/63/83/1093506383.db2.gz HHKHKAFQWUJQAE-CZUORRHYSA-N 0 3 306.475 3.002 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C/C=C(\C)C=C)[C@H](OC)C1 ZINC001213295301 1093559774 /nfs/dbraw/zinc/55/97/74/1093559774.db2.gz SJWCOWOTSYIEAY-NCSNTAPHSA-N 0 3 320.477 3.071 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C)CC=CC2)[C@H](OC)C1 ZINC001213374391 1093574184 /nfs/dbraw/zinc/57/41/84/1093574184.db2.gz FBPKKPLCJFGJNX-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCCCCC)C[C@H]2OC)CC1 ZINC001213395036 1093579552 /nfs/dbraw/zinc/57/95/52/1093579552.db2.gz JWBPUTNJPHNHPP-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CN(CCC)C[C@H]1OC ZINC001213776779 1093658980 /nfs/dbraw/zinc/65/89/80/1093658980.db2.gz NYNUQZGGCTZKHH-IAGOWNOFSA-N 0 3 312.498 3.353 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](OC)C1 ZINC001213898142 1093677056 /nfs/dbraw/zinc/67/70/56/1093677056.db2.gz YHIMTHLLGWSTOM-HZPDHXFCSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001215427911 1093981333 /nfs/dbraw/zinc/98/13/33/1093981333.db2.gz OZSMBNHNGRLAPT-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001215429693 1093981545 /nfs/dbraw/zinc/98/15/45/1093981545.db2.gz NGZWWQKDCXCPQH-CXAGYDPISA-N 0 3 322.399 3.258 20 30 DGEDHN Cc1c(C#N)cccc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001216176819 1094138834 /nfs/dbraw/zinc/13/88/34/1094138834.db2.gz KLJNRKDFDHHYLH-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CC(C)CCCCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001134788742 1094289315 /nfs/dbraw/zinc/28/93/15/1094289315.db2.gz HGNKMCYHQKEPIO-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CCC(C)C)[C@H]2C1 ZINC001217280246 1094358664 /nfs/dbraw/zinc/35/86/64/1094358664.db2.gz GQLKGFPUNKZTKA-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN CC1(C)CN(C[C@H](O)c2cccc(C#N)c2)Cc2ccccc2O1 ZINC001170793917 1094405226 /nfs/dbraw/zinc/40/52/26/1094405226.db2.gz FRJSIYRFQQERMU-SFHVURJKSA-N 0 3 322.408 3.265 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001135236604 1094454790 /nfs/dbraw/zinc/45/47/90/1094454790.db2.gz UTNYTVHVAHBVLS-GJZGRUSLSA-N 0 3 320.481 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135236140 1094454861 /nfs/dbraw/zinc/45/48/61/1094454861.db2.gz QMXVPFRMAVUCSL-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135239358 1094455672 /nfs/dbraw/zinc/45/56/72/1094455672.db2.gz YIOGDBRATZFVIO-ZIAGYGMSSA-N 0 3 321.490 3.018 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001135229441 1094459424 /nfs/dbraw/zinc/45/94/24/1094459424.db2.gz AKPUEHORZWFMRY-RYUDHWBXSA-N 0 3 323.506 3.345 20 30 DGEDHN CCOC(=O)CCCCCCCCCCO[C@@H]1CNC[C@H]1C#N ZINC001217831625 1094502763 /nfs/dbraw/zinc/50/27/63/1094502763.db2.gz KJGNQZDYRBFFJH-IAGOWNOFSA-N 0 3 324.465 3.189 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@@H](C)NCc2cnc(C)o2)CC1 ZINC001135416917 1094527827 /nfs/dbraw/zinc/52/78/27/1094527827.db2.gz YAJLSRBYOWZKIF-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001086733799 1094541545 /nfs/dbraw/zinc/54/15/45/1094541545.db2.gz DUNXMNNNQBOCKM-QWHCGFSZSA-N 0 3 310.825 3.083 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCCC[C@H](C)CC)[C@H]2C1 ZINC001218003766 1094552798 /nfs/dbraw/zinc/55/27/98/1094552798.db2.gz GODAYCGQMARXCY-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N1CCO[C@@H]2CN(CCCC(C)(C)C)C[C@@H]21 ZINC001218040556 1094573698 /nfs/dbraw/zinc/57/36/98/1094573698.db2.gz CSKZHQUXXUIJIF-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nccs1 ZINC001135560171 1094577453 /nfs/dbraw/zinc/57/74/53/1094577453.db2.gz CIGSSVLQDAVOJZ-QWHCGFSZSA-N 0 3 309.479 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121162620 1094590631 /nfs/dbraw/zinc/59/06/31/1094590631.db2.gz FHSVALVCFVVLCP-UHFFFAOYSA-N 0 3 310.869 3.358 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)NCCCNCc1ccccc1C#N ZINC001170829841 1094603073 /nfs/dbraw/zinc/60/30/73/1094603073.db2.gz SFGFEQMIHVMAQX-INIZCTEOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC23CCC3)C1 ZINC001103476347 1094642659 /nfs/dbraw/zinc/64/26/59/1094642659.db2.gz ZCGRGTNLEVQSGO-YUELXQCFSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCC(C)(F)F)C2 ZINC001121318380 1094659388 /nfs/dbraw/zinc/65/93/88/1094659388.db2.gz GVBIWDTWDDFVNI-UHFFFAOYSA-N 0 3 320.811 3.191 20 30 DGEDHN C=C(CC(C)C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001135832360 1094701343 /nfs/dbraw/zinc/70/13/43/1094701343.db2.gz NIMMYIIEVZOZGL-UHFFFAOYSA-N 0 3 300.446 3.323 20 30 DGEDHN CC1(C)C[C@H](NC[C@@H](O)CC2(C#N)CC2)c2cc(F)ccc2O1 ZINC001336834752 1094753307 /nfs/dbraw/zinc/75/33/07/1094753307.db2.gz VDOUSEXBUWHQQK-ZFWWWQNUSA-N 0 3 318.392 3.072 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)C(C)(C)C)NCc1cc(F)ccc1C#N ZINC001135983996 1094777617 /nfs/dbraw/zinc/77/76/17/1094777617.db2.gz SYYNCZVKHHBIGN-CHWSQXEVSA-N 0 3 319.424 3.116 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](CC)c1ccccc1 ZINC001170876935 1094790327 /nfs/dbraw/zinc/79/03/27/1094790327.db2.gz PRWDERJZFMKHQG-HNNXBMFYSA-N 0 3 308.853 3.419 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc2sc(C)nc2cc1OC ZINC001121862631 1094798846 /nfs/dbraw/zinc/79/88/46/1094798846.db2.gz LOCNGWRSXXLQJW-LLVKDONJSA-N 0 3 319.430 3.235 20 30 DGEDHN CCCc1cc(C)nc(O[C@H]2CNCc3ccccc32)c1C#N ZINC001218487614 1094814590 /nfs/dbraw/zinc/81/45/90/1094814590.db2.gz ORLWNKBUVCXMMS-SFHVURJKSA-N 0 3 307.397 3.438 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2CN(CCCCCC)C[C@@H]21 ZINC001218517773 1094826573 /nfs/dbraw/zinc/82/65/73/1094826573.db2.gz POLUZDXSMFORLU-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1C ZINC001104046048 1094847886 /nfs/dbraw/zinc/84/78/86/1094847886.db2.gz AUWBHTWGAPQRIG-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC001121967413 1094851584 /nfs/dbraw/zinc/85/15/84/1094851584.db2.gz WQMPJSZAIWCHBP-CQSZACIVSA-N 0 3 306.381 3.237 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC001121975616 1094856894 /nfs/dbraw/zinc/85/68/94/1094856894.db2.gz SSAIJDMLIUGMER-INIZCTEOSA-N 0 3 301.434 3.217 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC001121988543 1094859871 /nfs/dbraw/zinc/85/98/71/1094859871.db2.gz LRBVBHXCEHYTHK-OAHLLOKOSA-N 0 3 323.387 3.187 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2c(C)coc2C)C[C@H]1C ZINC001104145711 1094889515 /nfs/dbraw/zinc/88/95/15/1094889515.db2.gz CREYJTGVXKOAJM-IAQYHMDHSA-N 0 3 324.852 3.337 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001337197404 1094893125 /nfs/dbraw/zinc/89/31/25/1094893125.db2.gz KHSPIQPUBUDNRL-OAHLLOKOSA-N 0 3 301.434 3.080 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@H](C)C1CC1)C2 ZINC001122262026 1094938820 /nfs/dbraw/zinc/93/88/20/1094938820.db2.gz PRCZFCWTZLBCCW-WFVCENDPSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1CN(C[C@H](F)CC)C2 ZINC001111762906 1094958972 /nfs/dbraw/zinc/95/89/72/1094958972.db2.gz VAGXQMMCNCJNRN-DAYGRLMNSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2ccccc2F)CCC1 ZINC001170939958 1094970497 /nfs/dbraw/zinc/97/04/97/1094970497.db2.gz MQVLCFIXAMDOIR-UHFFFAOYSA-N 0 3 324.827 3.096 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2(C)CCCCC2)C1 ZINC001111806045 1094973648 /nfs/dbraw/zinc/97/36/48/1094973648.db2.gz DGABTCJHNJUADN-PXNSSMCTSA-N 0 3 316.489 3.341 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1ccccc1C(F)(F)F ZINC001122519533 1094997616 /nfs/dbraw/zinc/99/76/16/1094997616.db2.gz YEFXKVAGOKNFHL-LBPRGKRZSA-N 0 3 321.302 3.248 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001111892571 1095005058 /nfs/dbraw/zinc/00/50/58/1095005058.db2.gz WPBGXJPYXSRBIM-LQWHRVPQSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001111936438 1095016848 /nfs/dbraw/zinc/01/68/48/1095016848.db2.gz KBMRLWLKBHSGAJ-BXWFABGCSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001111968738 1095020771 /nfs/dbraw/zinc/02/07/71/1095020771.db2.gz ZRAFZHLZIFESKN-LMNJBCLMSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112066744 1095029878 /nfs/dbraw/zinc/02/98/78/1095029878.db2.gz FDXYREBBHRVMFR-BFHYXJOUSA-N 0 3 320.399 3.224 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1C(F)(F)F ZINC001112149545 1095036817 /nfs/dbraw/zinc/03/68/17/1095036817.db2.gz IAFWLXJDXZYQLA-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@@](C)(CC)CCC)C[C@H]1C(F)(F)F ZINC001112184744 1095039618 /nfs/dbraw/zinc/03/96/18/1095039618.db2.gz DDDOCYHPFCFMEP-NFAWXSAZSA-N 0 3 320.399 3.368 20 30 DGEDHN CC(C)n1ncc2cc(C(=O)C(C#N)c3cccc(F)n3)cnc21 ZINC001122713676 1095041703 /nfs/dbraw/zinc/04/17/03/1095041703.db2.gz CNXZMESBRLUAIY-ZDUSSCGKSA-N 0 3 323.331 3.036 20 30 DGEDHN C=CCO[C@H]1CCN(CCOc2ccccc2C(F)(F)F)C1 ZINC001337649350 1095049491 /nfs/dbraw/zinc/04/94/91/1095049491.db2.gz IIBXZQZSTIEOPK-ZDUSSCGKSA-N 0 3 315.335 3.361 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@@H](C)CCCCCC)[C@@H](O)C1 ZINC001220744516 1095148132 /nfs/dbraw/zinc/14/81/32/1095148132.db2.gz KZWHBSKVQIKOIZ-KSZLIROESA-N 0 3 324.509 3.111 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@H](C)CCCCCC)[C@@H](O)C1 ZINC001220744517 1095148694 /nfs/dbraw/zinc/14/86/94/1095148694.db2.gz KZWHBSKVQIKOIZ-KURKYZTESA-N 0 3 324.509 3.111 20 30 DGEDHN CC(=O)NCC1(NCC#Cc2ccc(Cl)cc2)CCCCC1 ZINC001115372462 1095192748 /nfs/dbraw/zinc/19/27/48/1095192748.db2.gz WHNNCUUAEDOAOW-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001221228931 1095218501 /nfs/dbraw/zinc/21/85/01/1095218501.db2.gz JFLLDSDTLGIWSR-HUUCEWRRSA-N 0 3 304.459 3.169 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001221242685 1095220193 /nfs/dbraw/zinc/22/01/93/1095220193.db2.gz XSEVFUCUYJJDEZ-IAGOWNOFSA-N 0 3 316.445 3.481 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCc2ccoc2)CCCCC1 ZINC001115474907 1095241088 /nfs/dbraw/zinc/24/10/88/1095241088.db2.gz RBEZAWRIKAVYSB-UHFFFAOYSA-N 0 3 324.852 3.373 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3ncoc3C)[C@@H]2C1 ZINC001221354594 1095247594 /nfs/dbraw/zinc/24/75/94/1095247594.db2.gz XTYLTOUDCCHEEX-HZPDHXFCSA-N 0 3 319.449 3.100 20 30 DGEDHN C=CC[C@@H](NC(=O)[C@@H](N)C1Cc2ccccc2C1)c1ccccc1 ZINC001221361084 1095250902 /nfs/dbraw/zinc/25/09/02/1095250902.db2.gz PWYBFFMRIQQKBZ-UXHICEINSA-N 0 3 320.436 3.162 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221424970 1095262179 /nfs/dbraw/zinc/26/21/79/1095262179.db2.gz SSPJXSOFUUXIGU-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3ocnc3C)[C@@H]2C1 ZINC001221466072 1095274412 /nfs/dbraw/zinc/27/44/12/1095274412.db2.gz DZLTXFYKGSAVDG-HZPDHXFCSA-N 0 3 319.449 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cnoc2C)CCCCC1 ZINC001115666967 1095324938 /nfs/dbraw/zinc/32/49/38/1095324938.db2.gz IDLFREPHKLTYRH-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(CF)CCC2)CCCCC1 ZINC001115736346 1095362341 /nfs/dbraw/zinc/36/23/41/1095362341.db2.gz RYJKCFIIHHWIIC-UHFFFAOYSA-N 0 3 316.848 3.287 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C(C)C)CCCCC1 ZINC001115755833 1095371773 /nfs/dbraw/zinc/37/17/73/1095371773.db2.gz NTOVJROJWSQHEQ-AWEZNQCLSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001221944326 1095397418 /nfs/dbraw/zinc/39/74/18/1095397418.db2.gz JOGKERWHIKVXKQ-IXDOHACOSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001221950485 1095397629 /nfs/dbraw/zinc/39/76/29/1095397629.db2.gz KBQWYBXKYNHTFG-GVDBMIGSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001338816225 1095400486 /nfs/dbraw/zinc/40/04/86/1095400486.db2.gz PCLVRKRARRXOKV-UHFFFAOYSA-N 0 3 310.388 3.211 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](CC)CCCC)C[C@@H]21 ZINC001222295325 1095535543 /nfs/dbraw/zinc/53/55/43/1095535543.db2.gz JJJDZNISIYWKBP-KURKYZTESA-N 0 3 304.478 3.149 20 30 DGEDHN CCCCC(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001222405002 1095598298 /nfs/dbraw/zinc/59/82/98/1095598298.db2.gz UQHNIWNGWCHRGW-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001091097948 1095663240 /nfs/dbraw/zinc/66/32/40/1095663240.db2.gz ABQJAMBAFNJLMF-RIXNLZLZSA-N 0 3 324.877 3.089 20 30 DGEDHN C[S@](=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC001116819815 1095669367 /nfs/dbraw/zinc/66/93/67/1095669367.db2.gz KICGTUZBYHEYQS-AVRDEDQJSA-N 0 3 310.422 3.073 20 30 DGEDHN C#Cc1ccc(CN2CCC(c3nc(CCC)no3)CC2)cc1 ZINC001144576968 1095724803 /nfs/dbraw/zinc/72/48/03/1095724803.db2.gz YKHZWZSMENQKFQ-UHFFFAOYSA-N 0 3 309.413 3.383 20 30 DGEDHN C#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC001144576176 1095725837 /nfs/dbraw/zinc/72/58/37/1095725837.db2.gz DPNBKEBZANMLBW-SFTDATJTSA-N 0 3 302.421 3.127 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC001171202783 1095743563 /nfs/dbraw/zinc/74/35/63/1095743563.db2.gz GEUSBRQYPLDDCW-MRXNPFEDSA-N 0 3 321.424 3.017 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C)C[C@H]1c1ccccc1 ZINC001171204324 1095758430 /nfs/dbraw/zinc/75/84/30/1095758430.db2.gz VTOQKTIQHNMRAY-UWJYYQICSA-N 0 3 319.452 3.478 20 30 DGEDHN N#CCOc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC001117633157 1095788714 /nfs/dbraw/zinc/78/87/14/1095788714.db2.gz ONYJAHDHALPAPM-IBGZPJMESA-N 0 3 303.365 3.238 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2csc(Cl)c2)C1 ZINC001091267418 1095868557 /nfs/dbraw/zinc/86/85/57/1095868557.db2.gz KFBNZXZSVCPHNF-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223333546 1095938920 /nfs/dbraw/zinc/93/89/20/1095938920.db2.gz IRJWIENCSBGCLO-UHFFFAOYSA-N 0 3 320.399 3.369 20 30 DGEDHN CCc1cc(C)cc(CC)c1NC(=N)c1ccc(C(N)=O)cc1 ZINC001171256836 1095943953 /nfs/dbraw/zinc/94/39/53/1095943953.db2.gz MUBHEOMRMMHCMR-UHFFFAOYSA-N 0 3 309.413 3.256 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cccc(C)c1Cl ZINC001276883089 1095945229 /nfs/dbraw/zinc/94/52/29/1095945229.db2.gz CZNKSOCPZPORKJ-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001276884212 1095952164 /nfs/dbraw/zinc/95/21/64/1095952164.db2.gz QEIIRIMVADMSFS-KBPBESRZSA-N 0 3 306.475 3.469 20 30 DGEDHN Cc1ccc(Cl)c(C)c1NC(=N)c1ccc(C(N)=O)cc1 ZINC001171258892 1095952828 /nfs/dbraw/zinc/95/28/28/1095952828.db2.gz OMFMOSFTEYSMMN-UHFFFAOYSA-N 0 3 301.777 3.093 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC001118322324 1095981762 /nfs/dbraw/zinc/98/17/62/1095981762.db2.gz AHXMZOURLRFWCA-YYIAUSFCSA-N 0 3 307.482 3.222 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001276901480 1096003551 /nfs/dbraw/zinc/00/35/51/1096003551.db2.gz UPBVXESBIYITJS-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001118484569 1096021044 /nfs/dbraw/zinc/02/10/44/1096021044.db2.gz JPXQVIUXYYCKHD-LMKPVCQUSA-N 0 3 311.759 3.485 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2(CC(C)C)CCC2)CC1 ZINC001223788297 1096064562 /nfs/dbraw/zinc/06/45/62/1096064562.db2.gz SALHIOUNKQCWCI-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001276923139 1096074172 /nfs/dbraw/zinc/07/41/72/1096074172.db2.gz GLUDPWVPTQVDQS-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC001340986974 1096087154 /nfs/dbraw/zinc/08/71/54/1096087154.db2.gz OBAWLNAIPHTCIE-UAGQMJEPSA-N 0 3 304.409 3.262 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](CC)C(C)(C)C)C[C@@H]21 ZINC001223903592 1096092200 /nfs/dbraw/zinc/09/22/00/1096092200.db2.gz GFCRRMVFWRQSQC-IKGGRYGDSA-N 0 3 304.478 3.005 20 30 DGEDHN COc1ccc(Cl)c2c1C[C@@H](NCC1(C#N)CCC1)CC2 ZINC001171283905 1096094897 /nfs/dbraw/zinc/09/48/97/1096094897.db2.gz KVZHTNDKJQOHCD-LBPRGKRZSA-N 0 3 304.821 3.489 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001276940040 1096117741 /nfs/dbraw/zinc/11/77/41/1096117741.db2.gz JNZDSFQBBQNYPQ-KBPBESRZSA-N 0 3 321.490 3.425 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001119296609 1096157584 /nfs/dbraw/zinc/15/75/84/1096157584.db2.gz XZGKOUNNAXRKFY-NXEZZACHSA-N 0 3 315.870 3.088 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@H]2CCN(CC=C)[C@H]2C1)c1ccccc1 ZINC001224198104 1096160367 /nfs/dbraw/zinc/16/03/67/1096160367.db2.gz KHZDMKNXZPKJLF-AABGKKOBSA-N 0 3 324.468 3.455 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN([C@H](C)c1ccc(F)cc1)C2 ZINC001147187635 1096179727 /nfs/dbraw/zinc/17/97/27/1096179727.db2.gz KKVUYGLASMIEHX-OAHLLOKOSA-N 0 3 316.420 3.387 20 30 DGEDHN CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC001224353055 1096194039 /nfs/dbraw/zinc/19/40/39/1096194039.db2.gz APPUFFTXOLYQAC-IAGOWNOFSA-N 0 3 318.848 3.119 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H]3CCN(CC#CC)[C@H]3C2)CCCC1 ZINC001224354368 1096194392 /nfs/dbraw/zinc/19/43/92/1096194392.db2.gz NMEPIGGJPAXFFV-MSOLQXFVSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCN1CCC1CC1)c1ccccc1 ZINC001276976249 1096226682 /nfs/dbraw/zinc/22/66/82/1096226682.db2.gz AACNBSKENFFLRL-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN C[C@H](c1ccccn1)N1CC[C@@H](OCC#C[Si](C)(C)C)C1 ZINC001224617728 1096247080 /nfs/dbraw/zinc/24/70/80/1096247080.db2.gz VVCYFYPVAPGBDH-HZPDHXFCSA-N 0 3 302.494 3.114 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001276987750 1096255261 /nfs/dbraw/zinc/25/52/61/1096255261.db2.gz KOQOGUDFJCTKOY-AVGNSLFASA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(F)c(C)c2)CC1 ZINC001161061859 1096269127 /nfs/dbraw/zinc/26/91/27/1096269127.db2.gz DYZIVEOADLPUKT-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN CCCCCC[C@@H](F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001147797337 1096275540 /nfs/dbraw/zinc/27/55/40/1096275540.db2.gz UCYQFJCDWVATSE-QGZVFWFLSA-N 0 3 319.424 3.073 20 30 DGEDHN CCCCCC[C@H](F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001147797336 1096275742 /nfs/dbraw/zinc/27/57/42/1096275742.db2.gz UCYQFJCDWVATSE-KRWDZBQOSA-N 0 3 319.424 3.073 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](C)CC2CCCC2)CC1 ZINC001224739970 1096276533 /nfs/dbraw/zinc/27/65/33/1096276533.db2.gz USOLHVSRBKTWGW-MRXNPFEDSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001224825177 1096294095 /nfs/dbraw/zinc/29/40/95/1096294095.db2.gz HXPIDOUHCIMOHG-JKSUJKDBSA-N 0 3 306.494 3.156 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H](C)CCCCCC)CC1 ZINC001225132300 1096351386 /nfs/dbraw/zinc/35/13/86/1096351386.db2.gz MQUCWKQXEFBGNY-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC001225162725 1096356964 /nfs/dbraw/zinc/35/69/64/1096356964.db2.gz LEIXLNMCGDDHFP-QGZVFWFLSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001225275521 1096381755 /nfs/dbraw/zinc/38/17/55/1096381755.db2.gz MTTMPTRMTRLEGV-HUUCEWRRSA-N 0 3 321.852 3.218 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)onc1CC ZINC001225275445 1096381780 /nfs/dbraw/zinc/38/17/80/1096381780.db2.gz LGEIYAPSGXRTMY-IAGOWNOFSA-N 0 3 319.449 3.029 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2(C3CCCCC3)CC2)CC1 ZINC001225277789 1096382528 /nfs/dbraw/zinc/38/25/28/1096382528.db2.gz GITRNRBEFVOMQK-UHFFFAOYSA-N 0 3 316.489 3.198 20 30 DGEDHN C[C@@H](C#N)c1cccc(C(=O)NCCc2cnc3cc[nH]cc2-3)c1 ZINC001148622791 1096414024 /nfs/dbraw/zinc/41/40/24/1096414024.db2.gz OYUHCHIJGVBDCB-ZDUSSCGKSA-N 0 3 318.380 3.162 20 30 DGEDHN C[C@@H](C#N)c1cccc(C(=O)NCCc2c[nH]c3ccncc23)c1 ZINC001148622791 1096414027 /nfs/dbraw/zinc/41/40/27/1096414027.db2.gz OYUHCHIJGVBDCB-ZDUSSCGKSA-N 0 3 318.380 3.162 20 30 DGEDHN CCCCCCCCCCC(=O)NCCNCc1cncn1C ZINC001148764848 1096443514 /nfs/dbraw/zinc/44/35/14/1096443514.db2.gz ZYMJZOPWCKKGLH-UHFFFAOYSA-N 0 3 322.497 3.157 20 30 DGEDHN C=CC[C@@H](C(=O)NCC1CCN(CC#CC)CC1)c1ccccc1 ZINC001225506909 1096452972 /nfs/dbraw/zinc/45/29/72/1096452972.db2.gz URUROLDMIJWAGG-HXUWFJFHSA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C(CC(C)C)CC(C)C)C2)C1 ZINC001148862363 1096458938 /nfs/dbraw/zinc/45/89/38/1096458938.db2.gz ZTSJYOWWVBMGRS-UHFFFAOYSA-N 0 3 306.494 3.415 20 30 DGEDHN COc1ccnc(OC(C(=O)c2ccco2)c2ccco2)c1C#N ZINC001225565891 1096468863 /nfs/dbraw/zinc/46/88/63/1096468863.db2.gz INHOKPPQUNDPQE-MRXNPFEDSA-N 0 3 324.292 3.151 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC=CCC3)C2)CC1 ZINC001086902448 1096501135 /nfs/dbraw/zinc/50/11/35/1096501135.db2.gz FJMOTMXYTVBTIE-ROUUACIJSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001225694502 1096506551 /nfs/dbraw/zinc/50/65/51/1096506551.db2.gz OCMXSFVLOGSANI-GOSISDBHSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001225695187 1096507431 /nfs/dbraw/zinc/50/74/31/1096507431.db2.gz XYBXQLRXFPFDBF-KRWDZBQOSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001086941211 1096515567 /nfs/dbraw/zinc/51/55/67/1096515567.db2.gz MPZGZXXJLLIXNM-IRXDYDNUSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C=C)cc3)C2)CC1 ZINC001086944376 1096517281 /nfs/dbraw/zinc/51/72/81/1096517281.db2.gz XIRKGLJSASECHJ-QGZVFWFLSA-N 0 3 322.452 3.279 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)C3CC3)C2)CC1 ZINC001086958347 1096524495 /nfs/dbraw/zinc/52/44/95/1096524495.db2.gz NPVKCGPQLLREAC-DLBZAZTESA-N 0 3 316.489 3.149 20 30 DGEDHN Cc1ccc(C#N)c(OC2CCN(Cc3ccccc3)CC2)n1 ZINC001225860937 1096547529 /nfs/dbraw/zinc/54/75/29/1096547529.db2.gz SRUWNKZGBRXLBL-UHFFFAOYSA-N 0 3 307.397 3.305 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)C3CCCCC3)C[C@]2(C)C1 ZINC001092082077 1096574888 /nfs/dbraw/zinc/57/48/88/1096574888.db2.gz SFGIHQWDSZWDJS-XLIONFOSSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C=C)c1ccccc1)C2 ZINC001110134082 1096619644 /nfs/dbraw/zinc/61/96/44/1096619644.db2.gz MESKXUIBUMHPIX-LMCOJAPRSA-N 0 3 322.452 3.091 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC=C)CCCCC1)C2 ZINC001110135901 1096630020 /nfs/dbraw/zinc/63/00/20/1096630020.db2.gz VUOYXRCNZYEVQN-SQNIBIBYSA-N 0 3 314.473 3.258 20 30 DGEDHN COc1cccc(C#N)c1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001226247128 1096645289 /nfs/dbraw/zinc/64/52/89/1096645289.db2.gz IYNPCCBMWCESQG-QGZVFWFLSA-N 0 3 308.381 3.220 20 30 DGEDHN N#Cc1cncc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1 ZINC001226686761 1096752517 /nfs/dbraw/zinc/75/25/17/1096752517.db2.gz SGTCRDBTCVJPED-RUYXUALKSA-N 0 3 319.408 3.243 20 30 DGEDHN C=CCCCCCCCN1CC2(C1)SCC[C@H]2C(=O)N(C)C ZINC001277167509 1096821177 /nfs/dbraw/zinc/82/11/77/1096821177.db2.gz YWSOKHMIYZSXKR-INIZCTEOSA-N 0 3 324.534 3.409 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C[C@H](CC)C(C)C ZINC001171560466 1096923479 /nfs/dbraw/zinc/92/34/79/1096923479.db2.gz GGKUFHPWZDPKMV-ZDUSSCGKSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C[C@@H](CC)C(C)C ZINC001171560465 1096923606 /nfs/dbraw/zinc/92/36/06/1096923606.db2.gz GGKUFHPWZDPKMV-CYBMUJFWSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1C(F)(F)F ZINC001171830814 1096981464 /nfs/dbraw/zinc/98/14/64/1096981464.db2.gz SVBAOHMCIQTJSL-UHFFFAOYSA-N 0 3 320.742 3.167 20 30 DGEDHN C#CCC1(C(=O)NC2CCN(Cc3ccc(C)cc3)CC2)CCC1 ZINC001227753810 1096982468 /nfs/dbraw/zinc/98/24/68/1096982468.db2.gz COMJZXIKARXLGY-UHFFFAOYSA-N 0 3 324.468 3.269 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)CC12CCC2 ZINC001171838375 1096989360 /nfs/dbraw/zinc/98/93/60/1096989360.db2.gz WUBSEBHTZIAZAP-CQSZACIVSA-N 0 3 319.449 3.202 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC001171839464 1096989566 /nfs/dbraw/zinc/98/95/66/1096989566.db2.gz GASYXMGAQRSRAZ-UHFFFAOYSA-N 0 3 320.742 3.167 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2cc3c(cc2C1)OCO3 ZINC001172316297 1097098810 /nfs/dbraw/zinc/09/88/10/1097098810.db2.gz RIXZZEVPXNYHQH-AWEZNQCLSA-N 0 3 320.392 3.276 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(F)cnc1Cl ZINC001172299573 1097109628 /nfs/dbraw/zinc/10/96/28/1097109628.db2.gz LSMOFOMKLQHUTI-NSHDSACASA-N 0 3 303.768 3.467 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC001277321952 1097165432 /nfs/dbraw/zinc/16/54/32/1097165432.db2.gz HWXQZQIJIUNWOL-CQSZACIVSA-N 0 3 324.852 3.244 20 30 DGEDHN C[C@@H](CCCC#N)NCc1cn(Cc2cccc(F)c2)cn1 ZINC001172490839 1097166867 /nfs/dbraw/zinc/16/68/67/1097166867.db2.gz AYGAYXYNXAGFDZ-AWEZNQCLSA-N 0 3 300.381 3.242 20 30 DGEDHN COc1cccc(Cn2cnc(CN[C@H](C)CCCC#N)c2)c1 ZINC001172491658 1097168260 /nfs/dbraw/zinc/16/82/60/1097168260.db2.gz IBIGXWZTFYODAL-OAHLLOKOSA-N 0 3 312.417 3.112 20 30 DGEDHN N#Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001228926748 1097219079 /nfs/dbraw/zinc/21/90/79/1097219079.db2.gz PZXUOPQNGFEJQS-QGZVFWFLSA-N 0 3 323.352 3.120 20 30 DGEDHN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936252 1097221084 /nfs/dbraw/zinc/22/10/84/1097221084.db2.gz FGCHWZPVEVAMJZ-INIZCTEOSA-N 0 3 317.429 3.340 20 30 DGEDHN C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936253 1097221223 /nfs/dbraw/zinc/22/12/23/1097221223.db2.gz FGCHWZPVEVAMJZ-MRXNPFEDSA-N 0 3 317.429 3.340 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](OCC)C(C)C ZINC001277345836 1097228921 /nfs/dbraw/zinc/22/89/21/1097228921.db2.gz MZBMXEMAHAYMQF-SQNIBIBYSA-N 0 3 322.493 3.079 20 30 DGEDHN CC1=C(Oc2cccc(CN3CCCCC3)c2)C(=O)[C@@H](C)O1 ZINC001229449016 1097323560 /nfs/dbraw/zinc/32/35/60/1097323560.db2.gz TZOQLPYRUNORCG-CYBMUJFWSA-N 0 3 301.386 3.271 20 30 DGEDHN C#CCCCC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC001277391352 1097328651 /nfs/dbraw/zinc/32/86/51/1097328651.db2.gz IIZKAXWSWQZSTK-UHFFFAOYSA-N 0 3 316.420 3.052 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)Cc2ocnc2C)CC1 ZINC001277404263 1097354814 /nfs/dbraw/zinc/35/48/14/1097354814.db2.gz WBGZJKIKFDDOAA-UHFFFAOYSA-N 0 3 319.449 3.008 20 30 DGEDHN N=C(NC1CCC(Oc2ccccc2)CC1)c1ccc(F)cn1 ZINC001173196671 1097358878 /nfs/dbraw/zinc/35/88/78/1097358878.db2.gz RTYPCNHHWATHRM-UHFFFAOYSA-N 0 3 313.376 3.316 20 30 DGEDHN Cc1cnc(N2CCN(C3CCC(C)(C#N)CC3)CC2)s1 ZINC001173599354 1097469224 /nfs/dbraw/zinc/46/92/24/1097469224.db2.gz KMJGSLLVTSEJGN-UHFFFAOYSA-N 0 3 304.463 3.046 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCCC2CCCC2)CC1 ZINC001230393402 1097486365 /nfs/dbraw/zinc/48/63/65/1097486365.db2.gz AFMIDXKWXJSGTO-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848176 1097605817 /nfs/dbraw/zinc/60/58/17/1097605817.db2.gz BKDPZUUNLHGLKM-LSDHHAIUSA-N 0 3 300.512 3.241 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@H]1CC1(C)C)Cc1cccnc1 ZINC001230734184 1097569122 /nfs/dbraw/zinc/56/91/22/1097569122.db2.gz IVYKPAMZYPTGFU-QGZVFWFLSA-N 0 3 315.461 3.012 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001277465322 1097575380 /nfs/dbraw/zinc/57/53/80/1097575380.db2.gz OIIDAFDICPJSIO-OALUTQOASA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001230769789 1097580269 /nfs/dbraw/zinc/58/02/69/1097580269.db2.gz FETONQLPPPZBRW-GOSISDBHSA-N 0 3 315.461 3.283 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230824818 1097598745 /nfs/dbraw/zinc/59/87/45/1097598745.db2.gz RANBREQMQJTHJN-INIZCTEOSA-N 0 3 303.450 3.012 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCCO1 ZINC001230838707 1097603576 /nfs/dbraw/zinc/60/35/76/1097603576.db2.gz RBEUILSPXAOVFS-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C1(CC)CC1)Cc1cccnc1 ZINC001230838695 1097604190 /nfs/dbraw/zinc/60/41/90/1097604190.db2.gz RYIFEIGZWDGBQL-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001277473513 1097629242 /nfs/dbraw/zinc/62/92/42/1097629242.db2.gz FFYJJWDTJWQXKZ-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC(F)(F)F ZINC001231040998 1097652605 /nfs/dbraw/zinc/65/26/05/1097652605.db2.gz BBCDJHIFSLYNRJ-CYBMUJFWSA-N 0 3 308.388 3.442 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231088479 1097666178 /nfs/dbraw/zinc/66/61/78/1097666178.db2.gz ZBAXSOPNEIPYAQ-FUHWJXTLSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1c(C)cccc1C ZINC001231115478 1097672045 /nfs/dbraw/zinc/67/20/45/1097672045.db2.gz VLWVRGWKZRCZAC-KRWDZBQOSA-N 0 3 300.446 3.302 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001231170372 1097687211 /nfs/dbraw/zinc/68/72/11/1097687211.db2.gz PBUPXUSDUFSBFR-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](CCC)C(C)C)C2)CC1 ZINC001277495442 1097693513 /nfs/dbraw/zinc/69/35/13/1097693513.db2.gz CQTUBYDQNZHHFI-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001231323108 1097721924 /nfs/dbraw/zinc/72/19/24/1097721924.db2.gz YWJDARRSZJVJOZ-MRXNPFEDSA-N 0 3 320.481 3.143 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccncc1F ZINC001231348675 1097727404 /nfs/dbraw/zinc/72/74/04/1097727404.db2.gz BHCRVWGUJXXWIV-HNNXBMFYSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231410345 1097742097 /nfs/dbraw/zinc/74/20/97/1097742097.db2.gz GERPJZAYDYYVLY-BDXSIMOUSA-N 0 3 304.478 3.312 20 30 DGEDHN Cc1cnccc1Nc1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC001174536447 1097747651 /nfs/dbraw/zinc/74/76/51/1097747651.db2.gz MTEQYCFPSZKUAN-UHFFFAOYSA-N 0 3 309.760 3.266 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)c(C)cc2C)C1 ZINC001231484867 1097759157 /nfs/dbraw/zinc/75/91/57/1097759157.db2.gz ACUYSEAVAKXGRJ-GOSISDBHSA-N 0 3 316.445 3.488 20 30 DGEDHN Cc1ncccc1CN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC001231821023 1097855197 /nfs/dbraw/zinc/85/51/97/1097855197.db2.gz NMAIPZRGGMQIBP-UHFFFAOYSA-N 0 3 308.429 3.372 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001174848842 1097866874 /nfs/dbraw/zinc/86/68/74/1097866874.db2.gz IPOAMPWHFGXCEE-CABCVRRESA-N 0 3 321.465 3.350 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001175083116 1097942112 /nfs/dbraw/zinc/94/21/12/1097942112.db2.gz VLMWXWZTIAESLO-KSSFIOAISA-N 0 3 321.465 3.350 20 30 DGEDHN Cc1ccc(C(=O)NCCCNCc2ccccc2C#N)cc1C ZINC001175134512 1097957347 /nfs/dbraw/zinc/95/73/47/1097957347.db2.gz NFDMIFDSKUGWQF-UHFFFAOYSA-N 0 3 321.424 3.085 20 30 DGEDHN CCCCCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001175194861 1097962447 /nfs/dbraw/zinc/96/24/47/1097962447.db2.gz OGFDGENZADRLQX-UHFFFAOYSA-N 0 3 319.424 3.264 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OCC(C)C)cc1 ZINC001175307453 1098006817 /nfs/dbraw/zinc/00/68/17/1098006817.db2.gz LXZAEMXDJSAQSL-UHFFFAOYSA-N 0 3 324.852 3.183 20 30 DGEDHN O=C1C=C2CN(Cc3cccc4ncsc43)CCC2S1 ZINC001232730801 1098121404 /nfs/dbraw/zinc/12/14/04/1098121404.db2.gz OOOFWLLKPFFMKF-CYBMUJFWSA-N 0 3 302.424 3.070 20 30 DGEDHN O=C1C=C2CN(Cc3cccc4ncsc43)CC[C@H]2S1 ZINC001232730801 1098121407 /nfs/dbraw/zinc/12/14/07/1098121407.db2.gz OOOFWLLKPFFMKF-CYBMUJFWSA-N 0 3 302.424 3.070 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(N)cc3C#N)cc2)CC1 ZINC001175782293 1098169135 /nfs/dbraw/zinc/16/91/35/1098169135.db2.gz RYCBSSOHLANNPG-UHFFFAOYSA-N 0 3 321.428 3.026 20 30 DGEDHN CCC(=O)N(CC)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083351 1098222440 /nfs/dbraw/zinc/22/24/40/1098222440.db2.gz GZJJDSZMUDJIRU-UHFFFAOYSA-N 0 3 313.445 3.090 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2cccnc2)CC1 ZINC001233080742 1098222445 /nfs/dbraw/zinc/22/24/45/1098222445.db2.gz BJMSYEDCEWWYBF-UHFFFAOYSA-N 0 3 307.397 3.305 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001233083705 1098223392 /nfs/dbraw/zinc/22/33/92/1098223392.db2.gz XVCZKVPCDMWSOS-INIZCTEOSA-N 0 3 314.429 3.420 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001233084457 1098223990 /nfs/dbraw/zinc/22/39/90/1098223990.db2.gz WSOAGHSMRXKKBE-OALUTQOASA-N 0 3 315.436 3.265 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(CCC)c(C)s1 ZINC001280879767 1098235541 /nfs/dbraw/zinc/23/55/41/1098235541.db2.gz AEIXCQZXOPVMCD-UHFFFAOYSA-N 0 3 320.502 3.426 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1 ZINC001233610460 1098389856 /nfs/dbraw/zinc/38/98/56/1098389856.db2.gz IKOQNWCRSXYDQQ-KRWDZBQOSA-N 0 3 305.466 3.142 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCCCO1 ZINC001233662105 1098401423 /nfs/dbraw/zinc/40/14/23/1098401423.db2.gz CAEPIQYMFCCNJB-ROUUACIJSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)COC(C)(C)C ZINC001233772286 1098427951 /nfs/dbraw/zinc/42/79/51/1098427951.db2.gz ZSKJWIQVWIRSLQ-MRXNPFEDSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2cnc(C)o2)CCCCC1 ZINC001176782186 1098430131 /nfs/dbraw/zinc/43/01/31/1098430131.db2.gz VOTPECUJHXDWBQ-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001176830683 1098441805 /nfs/dbraw/zinc/44/18/05/1098441805.db2.gz CRFAREMFTMEKOD-GFCCVEGCSA-N 0 3 312.816 3.168 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233865144 1098444718 /nfs/dbraw/zinc/44/47/18/1098444718.db2.gz FVBKWETVVPUUBF-KRWDZBQOSA-N 0 3 304.434 3.481 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233872895 1098446655 /nfs/dbraw/zinc/44/66/55/1098446655.db2.gz OLTYUXOOFGSAHV-QGZVFWFLSA-N 0 3 304.434 3.101 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001233946724 1098463754 /nfs/dbraw/zinc/46/37/54/1098463754.db2.gz DOYRQLBLKOMRJE-PKOBYXMFSA-N 0 3 310.441 3.010 20 30 DGEDHN Cc1cc(Br)cc(C#N)c1O[C@@H]1CCCN(C)C1 ZINC001234011519 1098476710 /nfs/dbraw/zinc/47/67/10/1098476710.db2.gz YJYUJWFHGFCZFG-CYBMUJFWSA-N 0 3 309.207 3.102 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001234029293 1098480194 /nfs/dbraw/zinc/48/01/94/1098480194.db2.gz HCNOQDSLWUHUDR-INIZCTEOSA-N 0 3 317.477 3.470 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1C ZINC001177201611 1098489151 /nfs/dbraw/zinc/48/91/51/1098489151.db2.gz UMUFGYGANNHHCG-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1cccc(OC)c1 ZINC001177205264 1098489827 /nfs/dbraw/zinc/48/98/27/1098489827.db2.gz WXFLCFXVQMGLPM-ZDUSSCGKSA-N 0 3 324.852 3.037 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccncc1C ZINC001234089993 1098493822 /nfs/dbraw/zinc/49/38/22/1098493822.db2.gz XEKYYJVRCALQRQ-QGZVFWFLSA-N 0 3 315.461 3.283 20 30 DGEDHN N#Cc1cc([O-])cc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001234139688 1098503106 /nfs/dbraw/zinc/50/31/06/1098503106.db2.gz JSVSQZCCMMVQKO-GOSISDBHSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1cc([O-])cc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001234139688 1098503108 /nfs/dbraw/zinc/50/31/08/1098503108.db2.gz JSVSQZCCMMVQKO-GOSISDBHSA-N 0 3 308.381 3.307 20 30 DGEDHN CCC(CC)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001234180522 1098510215 /nfs/dbraw/zinc/51/02/15/1098510215.db2.gz GZKYMZFEAZCDDL-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN CC[C@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195802 1098512122 /nfs/dbraw/zinc/51/21/22/1098512122.db2.gz NQUCMQXMHNOAOB-RTBURBONSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OC1CCCCC1 ZINC001234297223 1098531395 /nfs/dbraw/zinc/53/13/95/1098531395.db2.gz RSNLNFDMYNQCIV-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC1CC(F)(F)C1 ZINC001234555528 1098598091 /nfs/dbraw/zinc/59/80/91/1098598091.db2.gz VVSRRNSLNQXALQ-AWEZNQCLSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001234555908 1098598801 /nfs/dbraw/zinc/59/88/01/1098598801.db2.gz ZCMQAOTWQKKNBW-CQSZACIVSA-N 0 3 300.874 3.488 20 30 DGEDHN CCCC(=O)NCCCCCCNCc1cc(F)ccc1C#N ZINC001177758591 1098600854 /nfs/dbraw/zinc/60/08/54/1098600854.db2.gz BFUJAWUPRKMVFR-UHFFFAOYSA-N 0 3 319.424 3.264 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1ccn(C(C)C)n1 ZINC001178007551 1098676224 /nfs/dbraw/zinc/67/62/24/1098676224.db2.gz GPNIQGBIHKRHDY-UHFFFAOYSA-N 0 3 320.481 3.196 20 30 DGEDHN C=CCNC(=O)CNCc1ccc(-c2ccc(Cl)cc2)s1 ZINC001178321843 1098794521 /nfs/dbraw/zinc/79/45/21/1098794521.db2.gz NWCUWFWZHUZFAJ-UHFFFAOYSA-N 0 3 320.845 3.460 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)/C=C\C(C)(C)C ZINC001178379783 1098801489 /nfs/dbraw/zinc/80/14/89/1098801489.db2.gz ZSXRGOYYRRGXEP-JGFBZULESA-N 0 3 324.468 3.219 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178566544 1098876284 /nfs/dbraw/zinc/87/62/84/1098876284.db2.gz GENMAQUKKRJTSZ-AOIWGVFYSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001178599993 1098884703 /nfs/dbraw/zinc/88/47/03/1098884703.db2.gz MEJRKJKJYXYEKJ-YJBOKZPZSA-N 0 3 324.424 3.315 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1conc1C(C)C ZINC001235243882 1098915722 /nfs/dbraw/zinc/91/57/22/1098915722.db2.gz JSAFMHFUFKDZLD-GJZGRUSLSA-N 0 3 319.449 3.299 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001178802366 1098935218 /nfs/dbraw/zinc/93/52/18/1098935218.db2.gz HQIRXXDWNFYGQM-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001235305399 1098951998 /nfs/dbraw/zinc/95/19/98/1098951998.db2.gz XBPAOGDCMQFNOI-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(C)C(=O)c2nccs2)C1 ZINC001494864232 1098993502 /nfs/dbraw/zinc/99/35/02/1098993502.db2.gz WEYYGMPAEZVXJO-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1nccs1 ZINC001179234919 1099043719 /nfs/dbraw/zinc/04/37/19/1099043719.db2.gz BHZYBVNKQNYITE-UHFFFAOYSA-N 0 3 309.479 3.122 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCc1cc(C)ns1 ZINC001277947236 1099051493 /nfs/dbraw/zinc/05/14/93/1099051493.db2.gz JLDCBSJABSKRCK-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179352066 1099066366 /nfs/dbraw/zinc/06/63/66/1099066366.db2.gz ZGTMSLAPESGYFC-LEBMKIOXSA-N 0 3 322.452 3.140 20 30 DGEDHN COc1ccc(CN(C)Cc2ccccc2CC#N)cc1OC ZINC001235523936 1099071672 /nfs/dbraw/zinc/07/16/72/1099071672.db2.gz WTTPLXBPNQAAPT-UHFFFAOYSA-N 0 3 310.397 3.402 20 30 DGEDHN Cc1cccc(O[C@H]2CCCN(Cc3ccccc3CC#N)C2)n1 ZINC001235526796 1099073515 /nfs/dbraw/zinc/07/35/15/1099073515.db2.gz FYHXJYMMHITADA-IBGZPJMESA-N 0 3 321.424 3.500 20 30 DGEDHN Cc1cccc(OC2CCN(Cc3ccccc3CC#N)CC2)n1 ZINC001235526243 1099076352 /nfs/dbraw/zinc/07/63/52/1099076352.db2.gz BQPBQGLGHFJIFT-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179380555 1099087245 /nfs/dbraw/zinc/08/72/45/1099087245.db2.gz LXCXZOOVOJUHCY-BJLQDIEVSA-N 0 3 324.468 3.219 20 30 DGEDHN C#CCC1(NCc2cccc(Br)c2OC)CCC1 ZINC001179650715 1099153845 /nfs/dbraw/zinc/15/38/45/1099153845.db2.gz GRPSINRFAGEFSM-UHFFFAOYSA-N 0 3 308.219 3.493 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001235757351 1099166714 /nfs/dbraw/zinc/16/67/14/1099166714.db2.gz GREOJOYXOSKPTK-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN N#Cc1ccc(Cl)c(CN2CCN[C@H](c3ccccc3)C2)c1 ZINC001235852886 1099212615 /nfs/dbraw/zinc/21/26/15/1099212615.db2.gz IAMJVLKZZSXXFQ-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN CC1(CCC(=O)N2CCC[C@@H]2CNCC#Cc2ccccc2)CC1 ZINC001277974216 1099220954 /nfs/dbraw/zinc/22/09/54/1099220954.db2.gz SWHLIYADMDSZRB-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN N#CCc1ncc(-c2cccc(CN3CCCCC3)c2F)cn1 ZINC001236012985 1099336970 /nfs/dbraw/zinc/33/69/70/1099336970.db2.gz WSFFELMHJFHNPA-UHFFFAOYSA-N 0 3 310.376 3.335 20 30 DGEDHN Cc1cccc(CN2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)c1 ZINC001187833851 1099623850 /nfs/dbraw/zinc/62/38/50/1099623850.db2.gz VUKSSPXRSQBRQA-RBUKOAKNSA-N 0 3 324.468 3.077 20 30 DGEDHN Cc1cc(C#N)nc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236471469 1099632237 /nfs/dbraw/zinc/63/22/37/1099632237.db2.gz FHJXFTIGYBJOIP-MOPGFXCFSA-N 0 3 316.408 3.477 20 30 DGEDHN N#CC1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051520 1099945904 /nfs/dbraw/zinc/94/59/04/1099945904.db2.gz MMPNFOLTAVKXKP-UHFFFAOYSA-N 0 3 314.307 3.069 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001189279940 1099999418 /nfs/dbraw/zinc/99/94/18/1099999418.db2.gz OCFYGYGICVYYOY-MRXNPFEDSA-N 0 3 306.837 3.339 20 30 DGEDHN N#Cc1ccnc(CN2CCC3(CCNc4ccccc43)CC2)c1 ZINC001237320047 1100074384 /nfs/dbraw/zinc/07/43/84/1100074384.db2.gz HKPDJVOZISYSPK-UHFFFAOYSA-N 0 3 318.424 3.303 20 30 DGEDHN N#Cc1cc(CN2CCC3(CCNc4ccccc43)CC2)ccn1 ZINC001237328380 1100080084 /nfs/dbraw/zinc/08/00/84/1100080084.db2.gz BTMSGJLFTXADPK-UHFFFAOYSA-N 0 3 318.424 3.303 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1sccc1C1CC1 ZINC001273584281 1100093497 /nfs/dbraw/zinc/09/34/97/1100093497.db2.gz PXLYYZULPSALGZ-UHFFFAOYSA-N 0 3 304.459 3.043 20 30 DGEDHN COc1ccc2c(c1)n[nH]c2CN1CCc2cc(C#N)ccc2C1 ZINC001237386175 1100103505 /nfs/dbraw/zinc/10/35/05/1100103505.db2.gz RTFSFHUPRURXII-UHFFFAOYSA-N 0 3 318.380 3.001 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](F)CCCCCC)[C@@H]2C1 ZINC001189793595 1100133113 /nfs/dbraw/zinc/13/31/13/1100133113.db2.gz FTSZDSBUBKHHNM-YESZJQIVSA-N 0 3 310.457 3.404 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001189925905 1100151837 /nfs/dbraw/zinc/15/18/37/1100151837.db2.gz HYDXGEUHCUKFBN-QAPCUYQASA-N 0 3 316.420 3.223 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189894724 1100156427 /nfs/dbraw/zinc/15/64/27/1100156427.db2.gz YVKILQZYLMXDGT-QAPCUYQASA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCN(C(=O)CCC1CCCC1)C1CCN(CC=C)CC1 ZINC001278114995 1100173322 /nfs/dbraw/zinc/17/33/22/1100173322.db2.gz DYXPPTDLNYWVQU-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)c1cccs1)C1CCN(CC=C(C)C)CC1 ZINC001278115125 1100173570 /nfs/dbraw/zinc/17/35/70/1100173570.db2.gz HOXDZUQFPRKGMU-UHFFFAOYSA-N 0 3 316.470 3.254 20 30 DGEDHN CCn1cncc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001237591341 1100181971 /nfs/dbraw/zinc/18/19/71/1100181971.db2.gz VBHRUECZXVCARR-UHFFFAOYSA-N 0 3 308.429 3.229 20 30 DGEDHN CCCCCCCCc1ccc(NS(=O)(=O)CCN)cc1 ZINC001237617352 1100189903 /nfs/dbraw/zinc/18/99/03/1100189903.db2.gz YQFREYUBIWPPIE-UHFFFAOYSA-N 0 3 312.479 3.290 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001190398628 1100260386 /nfs/dbraw/zinc/26/03/86/1100260386.db2.gz ZJAKXMZZPALZJH-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN C#CCN(C(=O)CCCC#CC)C1CCN(CC=C(C)C)CC1 ZINC001278176955 1100329524 /nfs/dbraw/zinc/32/95/24/1100329524.db2.gz FPBZWBARGRTOQB-UHFFFAOYSA-N 0 3 314.473 3.072 20 30 DGEDHN CCCCCCCCCCCCN1C[C@@H]2C(C(N)=O)=NO[C@@H]2C1 ZINC001278182295 1100344775 /nfs/dbraw/zinc/34/47/75/1100344775.db2.gz SEEYXSUBMDALTH-JKSUJKDBSA-N 0 3 323.481 3.079 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(O)ccc1C)C2 ZINC001238099385 1100360277 /nfs/dbraw/zinc/36/02/77/1100360277.db2.gz OXBCNCTXUNSEPC-OALUTQOASA-N 0 3 317.429 3.027 20 30 DGEDHN C#Cc1ccccc1C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001191120810 1100404426 /nfs/dbraw/zinc/40/44/26/1100404426.db2.gz YAXIHWHVCCNRJD-UHFFFAOYSA-N 0 3 310.441 3.147 20 30 DGEDHN C#CCNC[C@H](NC(=O)C(C)(C)C=C)c1ccc2ccccc2c1 ZINC001278208346 1100406023 /nfs/dbraw/zinc/40/60/23/1100406023.db2.gz XBVJUJITQDUXDG-IBGZPJMESA-N 0 3 320.436 3.432 20 30 DGEDHN COc1cc(CN2CCC[C@H](c3ccccn3)C2)ccc1C#N ZINC001238408072 1100435799 /nfs/dbraw/zinc/43/57/99/1100435799.db2.gz XTWNETWQRNKUIY-KRWDZBQOSA-N 0 3 307.397 3.341 20 30 DGEDHN COc1cc(CN(C)C[C@H]2Cc3ccccc3O2)ccc1C#N ZINC001238417368 1100437274 /nfs/dbraw/zinc/43/72/74/1100437274.db2.gz SMZXFFBQHGRMAM-QGZVFWFLSA-N 0 3 308.381 3.002 20 30 DGEDHN CCc1noc([C@H]2CCCN(Cc3ccc(C#N)c(CC)c3)C2)n1 ZINC001238768125 1100523655 /nfs/dbraw/zinc/52/36/55/1100523655.db2.gz GCKCINXNSNCNJQ-KRWDZBQOSA-N 0 3 324.428 3.446 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191867429 1100536601 /nfs/dbraw/zinc/53/66/01/1100536601.db2.gz BCBHNRLMDRWGKL-YJBOKZPZSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001191912458 1100537445 /nfs/dbraw/zinc/53/74/45/1100537445.db2.gz OXVXKEHCDNVSIR-ROUUACIJSA-N 0 3 324.509 3.184 20 30 DGEDHN CCCCCCCCCCS(=O)(=O)N1CCCNC[C@@H]1C ZINC001238968063 1100564525 /nfs/dbraw/zinc/56/45/25/1100564525.db2.gz WMUNSBABHLBJOP-INIZCTEOSA-N 0 3 318.527 3.141 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cnc(C)s2)CCCCC1 ZINC001151998706 1100580166 /nfs/dbraw/zinc/58/01/66/1100580166.db2.gz YTAOBKRTUVZGPI-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001192419931 1100614397 /nfs/dbraw/zinc/61/43/97/1100614397.db2.gz JTJZWHQBSXQWBJ-QZTJIDSGSA-N 0 3 322.493 3.009 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001192550969 1100632433 /nfs/dbraw/zinc/63/24/33/1100632433.db2.gz MTVZASKIXPPKJC-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001192577115 1100637668 /nfs/dbraw/zinc/63/76/68/1100637668.db2.gz CFYBUBACLLAPNY-QGZVFWFLSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001192586412 1100639155 /nfs/dbraw/zinc/63/91/55/1100639155.db2.gz OGHRKUOFRKGBMI-KRWDZBQOSA-N 0 3 318.436 3.461 20 30 DGEDHN COc1ccccc1C1(NC[C@@H](O)c2cccc(C#N)c2)CCC1 ZINC001192823668 1100667123 /nfs/dbraw/zinc/66/71/23/1100667123.db2.gz LLKHEFPZRKLMRH-GOSISDBHSA-N 0 3 322.408 3.269 20 30 DGEDHN C[C@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001192824053 1100667168 /nfs/dbraw/zinc/66/71/68/1100667168.db2.gz OZAHOTNHZNGKSA-GTNSWQLSSA-N 0 3 302.324 3.221 20 30 DGEDHN CCCCCCC[C@H](C)NC(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001192937699 1100683493 /nfs/dbraw/zinc/68/34/93/1100683493.db2.gz IVPCRYYHZRCHFC-GVDBMIGSSA-N 0 3 309.498 3.471 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN(Cc3cccc(CC)c3)CC2)C1=O ZINC001273651986 1100697748 /nfs/dbraw/zinc/69/77/48/1100697748.db2.gz ZOGJWSSKAHAMKR-NRFANRHFSA-N 0 3 324.468 3.087 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CCN([C@H](C)CC)C3=O)CC2)cc1 ZINC001273671351 1100878519 /nfs/dbraw/zinc/87/85/19/1100878519.db2.gz CRDQTGZXOUIOLB-QGZVFWFLSA-N 0 3 324.468 3.281 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC001194190486 1100889329 /nfs/dbraw/zinc/88/93/29/1100889329.db2.gz FTBGPSFJUFTFPR-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001278310391 1100924602 /nfs/dbraw/zinc/92/46/02/1100924602.db2.gz UMXMVEGAWIMZRK-MSOLQXFVSA-N 0 3 313.445 3.003 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2ccc(C)s2)C1 ZINC001194565926 1100968334 /nfs/dbraw/zinc/96/83/34/1100968334.db2.gz BUILKPQTNZFDDB-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccncc2F)CC1 ZINC001195404216 1101128916 /nfs/dbraw/zinc/12/89/16/1101128916.db2.gz NMMWUZBBSPVZEZ-UHFFFAOYSA-N 0 3 321.440 3.339 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cncc(C)c2)CC1 ZINC001195404221 1101129609 /nfs/dbraw/zinc/12/96/09/1101129609.db2.gz NQLGFCDYMGYBEC-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)[C@H](CC)SC)CC1 ZINC001195489196 1101147390 /nfs/dbraw/zinc/14/73/90/1101147390.db2.gz YMXDNTMIIYHGEP-INIZCTEOSA-N 0 3 312.523 3.409 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785183 1101201532 /nfs/dbraw/zinc/20/15/32/1101201532.db2.gz FZEUUPPNCUEPFM-UHFFFAOYSA-N 0 3 304.478 3.317 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001195982071 1101229167 /nfs/dbraw/zinc/22/91/67/1101229167.db2.gz MUCGZFQUBDPALC-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN Cc1cccc(NC(=S)N2CCC3SC(=O)C=C3C2)c1C ZINC001196397795 1101299434 /nfs/dbraw/zinc/29/94/34/1101299434.db2.gz LPOOXXCZZBJXFC-CQSZACIVSA-N 0 3 318.467 3.274 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001273721268 1101300204 /nfs/dbraw/zinc/30/02/04/1101300204.db2.gz PHXYJOBYJSEETI-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196830631 1101402763 /nfs/dbraw/zinc/40/27/63/1101402763.db2.gz MENPKPGKCBXQAO-QZTJIDSGSA-N 0 3 314.473 3.222 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cnoc2CC)CC1 ZINC001197299840 1101519220 /nfs/dbraw/zinc/51/92/20/1101519220.db2.gz AWTJEVOHRIEFON-UHFFFAOYSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCCCN1CCCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC001197278645 1101528568 /nfs/dbraw/zinc/52/85/68/1101528568.db2.gz XTRNOLNPKCDAMP-QGZVFWFLSA-N 0 3 304.409 3.198 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC001197801846 1101669756 /nfs/dbraw/zinc/66/97/56/1101669756.db2.gz FMVWFCZRZAOOSP-UHFFFAOYSA-N 0 3 304.434 3.265 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2occ3c2CCCC3)CC1 ZINC001197943387 1101709689 /nfs/dbraw/zinc/70/96/89/1101709689.db2.gz SRFMOYQPUOUVDW-UHFFFAOYSA-N 0 3 316.445 3.273 20 30 DGEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCCCCCCCC)C1 ZINC001198075456 1101748360 /nfs/dbraw/zinc/74/83/60/1101748360.db2.gz JNIOFMCYROHQNH-QZTJIDSGSA-N 0 3 324.509 3.255 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001198069211 1101754598 /nfs/dbraw/zinc/75/45/98/1101754598.db2.gz RVWUUCBJAQKFEB-QZTJIDSGSA-N 0 3 324.509 3.089 20 30 DGEDHN Cc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc(C)n1 ZINC001241991393 1101837882 /nfs/dbraw/zinc/83/78/82/1101837882.db2.gz CCLWRWZDFUYLKS-CQSZACIVSA-N 0 3 324.384 3.104 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CC[C@H](C)F)CC2)CCCC1 ZINC001198423957 1101850868 /nfs/dbraw/zinc/85/08/68/1101850868.db2.gz XJWRCOOZTMUIAI-INIZCTEOSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)c1ccccc1)c1ccccc1OC ZINC001198499390 1101877474 /nfs/dbraw/zinc/87/74/74/1101877474.db2.gz LLRMYELRNDEIOG-SFHVURJKSA-N 0 3 324.424 3.332 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)CC1CC1)c1ccccc1OC ZINC001198482229 1101887449 /nfs/dbraw/zinc/88/74/49/1101887449.db2.gz MLCMNVWZLPTDBM-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C1=CCCC1)c1ccccc1OC ZINC001198656239 1101943293 /nfs/dbraw/zinc/94/32/93/1101943293.db2.gz KXPVINATNNRLHF-QGZVFWFLSA-N 0 3 314.429 3.129 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198856381 1102003031 /nfs/dbraw/zinc/00/30/31/1102003031.db2.gz HLTROUGMSFSUIC-DOTOQJQBSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1OC ZINC001198843624 1102012330 /nfs/dbraw/zinc/01/23/30/1102012330.db2.gz UXTTXMQCARFIGB-NVXWUHKLSA-N 0 3 322.424 3.012 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C1(CC)CC1)c1ccccc1OC ZINC001198885267 1102022091 /nfs/dbraw/zinc/02/20/91/1102022091.db2.gz CDPSVVSTBQAWMO-MRXNPFEDSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](NCC)c2ccccc2OC)CC1 ZINC001198885478 1102022441 /nfs/dbraw/zinc/02/24/41/1102022441.db2.gz JDUHIIJARQFIGN-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN Cc1cc(C#N)cc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1 ZINC001242479538 1102156019 /nfs/dbraw/zinc/15/60/19/1102156019.db2.gz WXOXBLKFIWXIQH-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN C=CCSc1ncccc1C(=O)Nc1cnccc1N(C)C ZINC001199735869 1102211221 /nfs/dbraw/zinc/21/12/21/1102211221.db2.gz HRIYSEXDESSPLQ-UHFFFAOYSA-N 0 3 314.414 3.073 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CCN([C@@H](C)CC)C3=O)CC2)c1 ZINC001273791979 1102227481 /nfs/dbraw/zinc/22/74/81/1102227481.db2.gz FHDAKCGRLMJFJY-KRWDZBQOSA-N 0 3 324.468 3.281 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199895389 1102231414 /nfs/dbraw/zinc/23/14/14/1102231414.db2.gz PAFBSIMHEQAPKA-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CCC[C@@H](CC(C)C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001152875560 1102550274 /nfs/dbraw/zinc/55/02/74/1102550274.db2.gz CILWSCFPFIJTCG-AWEZNQCLSA-N 0 3 321.490 3.288 20 30 DGEDHN CCCCCCCCCCCN1CC(N2CCN(C)CC2)C1 ZINC001201631406 1102665810 /nfs/dbraw/zinc/66/58/10/1102665810.db2.gz RWTYTVSGZOVLPM-UHFFFAOYSA-N 0 3 309.542 3.449 20 30 DGEDHN COCCN(C)Cc1ccnc(-c2ccc(C3(C#N)CC3)cc2)c1 ZINC001243421188 1102713887 /nfs/dbraw/zinc/71/38/87/1102713887.db2.gz SXMBLPZSYDOPAN-UHFFFAOYSA-N 0 3 321.424 3.382 20 30 DGEDHN CCCCCCCN1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001201762492 1102722139 /nfs/dbraw/zinc/72/21/39/1102722139.db2.gz MRBULQVFRFNBGP-SFHVURJKSA-N 0 3 323.481 3.044 20 30 DGEDHN N#C[C@H]1CC=C(c2cccc3cc([C@@H]4CNCCO4)cn32)CC1 ZINC001243795729 1102982855 /nfs/dbraw/zinc/98/28/55/1102982855.db2.gz UJCDSMLFJSTSEV-LIRRHRJNSA-N 0 3 307.397 3.307 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001111061600 1103031456 /nfs/dbraw/zinc/03/14/56/1103031456.db2.gz DZBFTHPCRCCGOW-VQHPVUNQSA-N 0 3 304.478 3.194 20 30 DGEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCC(C)C)C2 ZINC001111165342 1103058895 /nfs/dbraw/zinc/05/88/95/1103058895.db2.gz DNHCURPREYHDER-KURKYZTESA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C2CCC2)CCC1 ZINC001488645967 1103078231 /nfs/dbraw/zinc/07/82/31/1103078231.db2.gz WYUBGJWQOKCMQW-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN CCN1CCN(Cc2ccc(NC3=CC[C@@H](C#N)CC3)cc2)CC1 ZINC001212861399 1103100561 /nfs/dbraw/zinc/10/05/61/1103100561.db2.gz SEOIXCZGEQWOHA-QGZVFWFLSA-N 0 3 324.472 3.444 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C2 ZINC001111271199 1103151617 /nfs/dbraw/zinc/15/16/17/1103151617.db2.gz GZVDBWCNSRKLOL-HZMVEIRTSA-N 0 3 304.478 3.194 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)c1ccccc1)C2 ZINC001111271474 1103154096 /nfs/dbraw/zinc/15/40/96/1103154096.db2.gz SKPHJYIJVDEHSH-NBYUQASBSA-N 0 3 324.468 3.315 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C2 ZINC001111279907 1103170787 /nfs/dbraw/zinc/17/07/87/1103170787.db2.gz LEOKDAKMYJUZAW-VQHPVUNQSA-N 0 3 304.478 3.194 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C2 ZINC001111284276 1103173292 /nfs/dbraw/zinc/17/32/92/1103173292.db2.gz OPXZUMOPTDIGEQ-SYQHCUMBSA-N 0 3 318.383 3.263 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C2 ZINC001111284275 1103173382 /nfs/dbraw/zinc/17/33/82/1103173382.db2.gz OPXZUMOPTDIGEQ-DGAVXFQQSA-N 0 3 318.383 3.263 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001488848641 1103178990 /nfs/dbraw/zinc/17/89/90/1103178990.db2.gz FSSKYOMDRROVJF-SAZUREKKSA-N 0 3 322.399 3.306 20 30 DGEDHN N#CC1(c2cccc(-c3cnccc3N3CCOCC3)c2)CC1 ZINC001244072326 1103188652 /nfs/dbraw/zinc/18/86/52/1103188652.db2.gz WJBCLIIVHWLBEK-UHFFFAOYSA-N 0 3 305.381 3.140 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001111313676 1103205662 /nfs/dbraw/zinc/20/56/62/1103205662.db2.gz QEOHLZOWNMAVCV-MLHJIOFPSA-N 0 3 324.509 3.493 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CC[C@@H](NCc2oc(C)nc2C)C1 ZINC001488946523 1103216229 /nfs/dbraw/zinc/21/62/29/1103216229.db2.gz JPUWQMTYZLXNSF-JKSUJKDBSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(C)CCC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001488976406 1103228101 /nfs/dbraw/zinc/22/81/01/1103228101.db2.gz UZBGVGDDLHIFCG-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccc(C)cc3[nH]1)C2 ZINC001095831204 1103230171 /nfs/dbraw/zinc/23/01/71/1103230171.db2.gz YMJVEVVUTKAVQR-AYBZRNKSSA-N 0 3 323.440 3.388 20 30 DGEDHN Cc1cncc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1C ZINC001244152185 1103237495 /nfs/dbraw/zinc/23/74/95/1103237495.db2.gz OGFNAAFTCJDAFF-CYBMUJFWSA-N 0 3 324.384 3.104 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[C@@H](C)CC)C2 ZINC001110597671 1103307760 /nfs/dbraw/zinc/30/77/60/1103307760.db2.gz LGIYDLQBJHHJKI-MLHJIOFPSA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cccc(F)c1 ZINC001326446497 1103317994 /nfs/dbraw/zinc/31/79/94/1103317994.db2.gz NYYYATXEIBWYPE-UHFFFAOYSA-N 0 3 312.388 3.374 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@@H](NCc2ccccn2)C1 ZINC001489232873 1103334595 /nfs/dbraw/zinc/33/45/95/1103334595.db2.gz UKTRUNJTOHDEJJ-GOSISDBHSA-N 0 3 315.461 3.299 20 30 DGEDHN C=CCC1(C(=O)N2CCCCC[C@@H](NCCF)C2)CCCC1 ZINC001489241280 1103337443 /nfs/dbraw/zinc/33/74/43/1103337443.db2.gz BGUDITVOHQMWTL-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CCC1(C)CC1 ZINC001326494668 1103339740 /nfs/dbraw/zinc/33/97/40/1103339740.db2.gz OZSFPPFFKRBRTB-UHFFFAOYSA-N 0 3 312.457 3.338 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2sccc2C)[C@H]1C ZINC001489307824 1103345928 /nfs/dbraw/zinc/34/59/28/1103345928.db2.gz UUDOSWPSTUGHPB-CABCVRRESA-N 0 3 306.475 3.144 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC001326522141 1103352081 /nfs/dbraw/zinc/35/20/81/1103352081.db2.gz UEVLPJFANLJAFY-SHTZXODSSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114692254 1103392104 /nfs/dbraw/zinc/39/21/04/1103392104.db2.gz DAWXVDNUKFLCOR-VZEFYGNVSA-N 0 3 316.420 3.145 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001493149604 1103394073 /nfs/dbraw/zinc/39/40/73/1103394073.db2.gz QDSWSBJBWFIXTE-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CC2(C=C)CCCCC2)CC1 ZINC001327156425 1103557660 /nfs/dbraw/zinc/55/76/60/1103557660.db2.gz KQNZKPIXOUBNEB-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN CCN(CCCNC(=O)[C@H](C)C(C)C)Cc1ccc(C#N)s1 ZINC001490349419 1103558996 /nfs/dbraw/zinc/55/89/96/1103558996.db2.gz CKHIHMLMNISGLI-CQSZACIVSA-N 0 3 321.490 3.240 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@]1(C)CCC(C)=C(C)C1)C1CC1 ZINC001490393250 1103589679 /nfs/dbraw/zinc/58/96/79/1103589679.db2.gz OCFQNRKJTJDCLE-IBGZPJMESA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C2CCCC2)cc1 ZINC001327239655 1103595243 /nfs/dbraw/zinc/59/52/43/1103595243.db2.gz QQQUEOVMMHIZRT-UHFFFAOYSA-N 0 3 312.457 3.371 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001490450539 1103609959 /nfs/dbraw/zinc/60/99/59/1103609959.db2.gz MMOPEHYODNXJLK-QZTJIDSGSA-N 0 3 312.457 3.093 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001327285164 1103615019 /nfs/dbraw/zinc/61/50/19/1103615019.db2.gz MUIVFKDUPDAZRK-UHFFFAOYSA-N 0 3 314.473 3.401 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC001490416136 1103615669 /nfs/dbraw/zinc/61/56/69/1103615669.db2.gz KPYPOJMPIDXFHK-MRXNPFEDSA-N 0 3 322.493 3.223 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC001327291879 1103616468 /nfs/dbraw/zinc/61/64/68/1103616468.db2.gz UCKPNFTUEFXIPV-MRXNPFEDSA-N 0 3 300.446 3.227 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC001490430016 1103623097 /nfs/dbraw/zinc/62/30/97/1103623097.db2.gz ANUWKNIUSHVALD-BEFAXECRSA-N 0 3 321.424 3.080 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CC1CCCCC1 ZINC001114921117 1103636096 /nfs/dbraw/zinc/63/60/96/1103636096.db2.gz GSBGYBBCWDLEDR-WNRNVDISSA-N 0 3 304.478 3.215 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001490521490 1103648419 /nfs/dbraw/zinc/64/84/19/1103648419.db2.gz DATKNYYGWQWKGG-HNNXBMFYSA-N 0 3 307.438 3.066 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC001490560686 1103657761 /nfs/dbraw/zinc/65/77/61/1103657761.db2.gz MEOJHMNOXWASNN-OALUTQOASA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001490568464 1103663408 /nfs/dbraw/zinc/66/34/08/1103663408.db2.gz MWPMRLDMDDCVKX-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001490582098 1103668227 /nfs/dbraw/zinc/66/82/27/1103668227.db2.gz INGSJNVROLWFOC-YOEHRIQHSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCc2ccco2)CC1 ZINC001490610503 1103679042 /nfs/dbraw/zinc/67/90/42/1103679042.db2.gz VCHGYWIEYMZVHN-UHFFFAOYSA-N 0 3 318.461 3.491 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001490611548 1103680518 /nfs/dbraw/zinc/68/05/18/1103680518.db2.gz XBZGIJGJJGFXPU-PXPVJAHISA-N 0 3 322.452 3.002 20 30 DGEDHN CCc1cccc2cc(CNCCNc3ncccc3C#N)oc21 ZINC001327566384 1103682427 /nfs/dbraw/zinc/68/24/27/1103682427.db2.gz UBXACKJBJZCXRB-UHFFFAOYSA-N 0 3 320.396 3.464 20 30 DGEDHN Cc1c(C#N)cccc1-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001244816501 1103698892 /nfs/dbraw/zinc/69/88/92/1103698892.db2.gz MQWFUZMKYVAPDY-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncccc3c1)C2 ZINC001095959405 1103713425 /nfs/dbraw/zinc/71/34/25/1103713425.db2.gz JNLFHGZTQZMXDG-NEWSRXKRSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001095983344 1103720771 /nfs/dbraw/zinc/72/07/71/1103720771.db2.gz WXEPEKPHXGBIRA-SQNIBIBYSA-N 0 3 310.441 3.264 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)C2 ZINC001095998600 1103724347 /nfs/dbraw/zinc/72/43/47/1103724347.db2.gz WUCZCIDPSCILOL-XGUBFFRZSA-N 0 3 312.404 3.110 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2 ZINC001096107980 1103756939 /nfs/dbraw/zinc/75/69/39/1103756939.db2.gz IUKGGMMGFNZZCR-WXHSDQCUSA-N 0 3 310.850 3.313 20 30 DGEDHN CCC1(C(=O)N2C[C@@H](C)[C@@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001327908559 1103763726 /nfs/dbraw/zinc/76/37/26/1103763726.db2.gz ZSJJIVDKMAZFEX-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202487001 1103775873 /nfs/dbraw/zinc/77/58/73/1103775873.db2.gz AVYZNRHPXRZOLJ-MOPGFXCFSA-N 0 3 324.468 3.245 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccsc31)C2 ZINC001096285819 1103793614 /nfs/dbraw/zinc/79/36/14/1103793614.db2.gz GGWRRWAFMLPLAY-PVAVHDDUSA-N 0 3 324.449 3.260 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(C)C)c1)C2 ZINC001096283582 1103793653 /nfs/dbraw/zinc/79/36/53/1103793653.db2.gz HEZWEIAUOYVXIB-QYZOEREBSA-N 0 3 310.441 3.168 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001328224242 1103879095 /nfs/dbraw/zinc/87/90/95/1103879095.db2.gz QHOWDIDXGFCPCN-CRAIPNDOSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001096672404 1103898911 /nfs/dbraw/zinc/89/89/11/1103898911.db2.gz ZEIZSMVZQRUISH-ILXRZTDVSA-N 0 3 304.478 3.356 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1ccccc1C)C2 ZINC001096668362 1103899080 /nfs/dbraw/zinc/89/90/80/1103899080.db2.gz ZEEFUVVWLOHARZ-NEWSRXKRSA-N 0 3 324.468 3.017 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C[C@@H]1C ZINC001328294740 1103906276 /nfs/dbraw/zinc/90/62/76/1103906276.db2.gz LUQORYKXOJAQFD-HGFKVBKKSA-N 0 3 310.441 3.001 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)CC(C)(C)CC)CC2)C1 ZINC001328492381 1103967178 /nfs/dbraw/zinc/96/71/78/1103967178.db2.gz RGAYWIPDBQEYOC-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001137119251 1103992545 /nfs/dbraw/zinc/99/25/45/1103992545.db2.gz AXHIORQYMQBMKT-FQEVSTJZSA-N 0 3 322.408 3.380 20 30 DGEDHN N#CCOc1ccc(CN2CCC(Oc3cccnc3)CC2)cc1 ZINC001137119323 1103993359 /nfs/dbraw/zinc/99/33/59/1103993359.db2.gz HAIHIQUAWSHESF-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)CCC ZINC001328693244 1104023228 /nfs/dbraw/zinc/02/32/28/1104023228.db2.gz GMNNPJAIJQWNTA-ZTFGCOKTSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)CCC ZINC001328693241 1104023560 /nfs/dbraw/zinc/02/35/60/1104023560.db2.gz GMNNPJAIJQWNTA-BMGDILEWSA-N 0 3 300.446 3.371 20 30 DGEDHN CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC001328702268 1104025485 /nfs/dbraw/zinc/02/54/85/1104025485.db2.gz GXOMDWQRJXVOKM-GOSISDBHSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)CC1=CCCCC1 ZINC001328707719 1104029607 /nfs/dbraw/zinc/02/96/07/1104029607.db2.gz RRQSCHASTNBANS-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN N#CCCOc1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245428832 1104051164 /nfs/dbraw/zinc/05/11/64/1104051164.db2.gz WENHTUFEBXKYPF-GOSISDBHSA-N 0 3 312.413 3.247 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccn(C(C)C)c1C ZINC001328753174 1104054147 /nfs/dbraw/zinc/05/41/47/1104054147.db2.gz PNWONLNRRDQMCB-INIZCTEOSA-N 0 3 303.450 3.100 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C(/C)C2CC2)C12CCC2 ZINC001202574525 1104063227 /nfs/dbraw/zinc/06/32/27/1104063227.db2.gz QIQRIRJUROMBCZ-TYJMOYENSA-N 0 3 308.853 3.112 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(C2CCCCC2)CC1 ZINC001328784458 1104069966 /nfs/dbraw/zinc/06/99/66/1104069966.db2.gz CPVPKMCWESVJBW-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCCC(=O)NC1CC(CNCc2nc(C)sc2C)C1 ZINC001328904484 1104098323 /nfs/dbraw/zinc/09/83/23/1104098323.db2.gz MICGZXAFVOPRFZ-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1F ZINC001328995017 1104117586 /nfs/dbraw/zinc/11/75/86/1104117586.db2.gz JCMOBPMCUDYHEJ-VXGBXAGGSA-N 0 3 312.816 3.428 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)cc1F ZINC001328995016 1104117817 /nfs/dbraw/zinc/11/78/17/1104117817.db2.gz JCMOBPMCUDYHEJ-RYUDHWBXSA-N 0 3 312.816 3.428 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)cc1F ZINC001328995015 1104118110 /nfs/dbraw/zinc/11/81/10/1104118110.db2.gz JCMOBPMCUDYHEJ-NWDGAFQWSA-N 0 3 312.816 3.428 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001328997860 1104119427 /nfs/dbraw/zinc/11/94/27/1104119427.db2.gz SKDWJVWHUBVDAW-HUUCEWRRSA-N 0 3 318.848 3.141 20 30 DGEDHN Cc1cccc(NC(=O)N2CCC3SC(=O)C=C3C2)c1C ZINC001202699058 1104123703 /nfs/dbraw/zinc/12/37/03/1104123703.db2.gz PYZZNQWJTJIPHK-CQSZACIVSA-N 0 3 302.399 3.109 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NCc2ccccc2F)cc1 ZINC001329089307 1104148957 /nfs/dbraw/zinc/14/89/57/1104148957.db2.gz DBOUKIWJOHOGTQ-LSDHHAIUSA-N 0 3 324.399 3.104 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ns1 ZINC001329103556 1104152853 /nfs/dbraw/zinc/15/28/53/1104152853.db2.gz LWSAULPZWLSXJV-CHWSQXEVSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001329131269 1104165394 /nfs/dbraw/zinc/16/53/94/1104165394.db2.gz JIFSYQDFLYXRSM-OLZOCXBDSA-N 0 3 319.474 3.205 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2cccc(C)c2)C1 ZINC001278415458 1104211857 /nfs/dbraw/zinc/21/18/57/1104211857.db2.gz YAXYCSUAOBEZBS-LJQANCHMSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001329415624 1104255923 /nfs/dbraw/zinc/25/59/23/1104255923.db2.gz PSXAOKKSBDYBAX-AWEZNQCLSA-N 0 3 320.502 3.495 20 30 DGEDHN CN(C)C[C@H](NC(=S)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001245934485 1104321490 /nfs/dbraw/zinc/32/14/90/1104321490.db2.gz BCVCLOFHUQUJTE-KRWDZBQOSA-N 0 3 324.453 3.148 20 30 DGEDHN CCCCCCCCCCC[C@@H](C)N[C@@H](CN)C(=O)OC ZINC001246087091 1104379331 /nfs/dbraw/zinc/37/93/31/1104379331.db2.gz XWIQKRJNWPXQTE-CVEARBPZSA-N 0 3 300.487 3.386 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001274531887 1104406437 /nfs/dbraw/zinc/40/64/37/1104406437.db2.gz TYNAWBBFSDFZCL-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001278433702 1104408657 /nfs/dbraw/zinc/40/86/57/1104408657.db2.gz MDQWSLLUMSYLTD-FQEVSTJZSA-N 0 3 314.473 3.393 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001329937800 1104429719 /nfs/dbraw/zinc/42/97/19/1104429719.db2.gz OIYJZSHSSTVBHS-IRXDYDNUSA-N 0 3 304.409 3.244 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001330032482 1104458105 /nfs/dbraw/zinc/45/81/05/1104458105.db2.gz TYRVYUFGLHKRPH-HNNXBMFYSA-N 0 3 300.446 3.225 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@H](C)CNC1c2ccccc2-c2ccccc21 ZINC001274702176 1104463182 /nfs/dbraw/zinc/46/31/82/1104463182.db2.gz PZBOVNMJQSJCNI-ZIAGYGMSSA-N 0 3 319.408 3.010 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1sc(C)cc1C ZINC001274725365 1104470275 /nfs/dbraw/zinc/47/02/75/1104470275.db2.gz BWAGQONDFJXDGO-NSHDSACASA-N 0 3 300.855 3.215 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1F ZINC001274727112 1104471695 /nfs/dbraw/zinc/47/16/95/1104471695.db2.gz RYVLOIQAUVCBAT-CABCVRRESA-N 0 3 304.409 3.175 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001274726763 1104472017 /nfs/dbraw/zinc/47/20/17/1104472017.db2.gz FNLRTLCSDVDNCW-ZIAGYGMSSA-N 0 3 322.399 3.314 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001274900359 1104536480 /nfs/dbraw/zinc/53/64/80/1104536480.db2.gz BCGLDORJIOBXAM-LLVKDONJSA-N 0 3 300.855 3.352 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)c2c1CCC2 ZINC001274841280 1104512722 /nfs/dbraw/zinc/51/27/22/1104512722.db2.gz RGBFOOMREWXUOB-AWEZNQCLSA-N 0 3 320.864 3.334 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)CC1CC1 ZINC001274846735 1104517464 /nfs/dbraw/zinc/51/74/64/1104517464.db2.gz JLSLMYAQEQITCH-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CCCF ZINC001274848464 1104518913 /nfs/dbraw/zinc/51/89/13/1104518913.db2.gz VQZUZXXNFHMGHP-QGZVFWFLSA-N 0 3 304.409 3.028 20 30 DGEDHN C[C@H](NCCOCCC#N)c1ccc(F)cc1OC(F)F ZINC001330335342 1104539969 /nfs/dbraw/zinc/53/99/69/1104539969.db2.gz XFDFBCBDTLWSNE-JTQLQIEISA-N 0 3 302.296 3.008 20 30 DGEDHN CCC[C@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1)C(C)C ZINC001274944119 1104549306 /nfs/dbraw/zinc/54/93/06/1104549306.db2.gz PYFBTIGSWGOWGZ-MJGOQNOKSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001278449816 1104557622 /nfs/dbraw/zinc/55/76/22/1104557622.db2.gz JIFXSMOWRXOOKB-KBXCAEBGSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001278450628 1104560895 /nfs/dbraw/zinc/56/08/95/1104560895.db2.gz ROOFCGZUXFJMTP-IBGZPJMESA-N 0 3 312.413 3.050 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C=CCC=C1C ZINC001274959013 1104560938 /nfs/dbraw/zinc/56/09/38/1104560938.db2.gz OYQWKRHIYUWGNP-FGTMMUONSA-N 0 3 300.446 3.150 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2nc(C)c(C)s2)C1 ZINC001330605567 1104590406 /nfs/dbraw/zinc/59/04/06/1104590406.db2.gz PHNUDYNATVIIQY-SHTZXODSSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001330680452 1104615836 /nfs/dbraw/zinc/61/58/36/1104615836.db2.gz CUGJYYPMYDFMEZ-RBSFLKMASA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN[C@@H](CC)c1ccc(F)cc1F ZINC001275092474 1104617995 /nfs/dbraw/zinc/61/79/95/1104617995.db2.gz QADHHLGPSUQCQD-LRDDRELGSA-N 0 3 310.388 3.476 20 30 DGEDHN CCCCCCCCN1CC2(C1)CCN(C(=O)NC(C)C)C2 ZINC001275131258 1104642073 /nfs/dbraw/zinc/64/20/73/1104642073.db2.gz OEOMPAMQYQGSRX-UHFFFAOYSA-N 0 3 309.498 3.473 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CCC)c1ccccn1 ZINC001275135595 1104643914 /nfs/dbraw/zinc/64/39/14/1104643914.db2.gz LFUNBHFIQLJKQK-DLBZAZTESA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001275175409 1104667491 /nfs/dbraw/zinc/66/74/91/1104667491.db2.gz IMLFZBHZMCHLAQ-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc(Cl)c1F ZINC001322677970 1104693704 /nfs/dbraw/zinc/69/37/04/1104693704.db2.gz JKUQMZGKGYXDNB-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN CCCC(CCC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275286186 1104706304 /nfs/dbraw/zinc/70/63/04/1104706304.db2.gz NZQUINONWMVVDA-KRWDZBQOSA-N 0 3 314.473 3.349 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CC1=CCCCC1 ZINC001275364757 1104736857 /nfs/dbraw/zinc/73/68/57/1104736857.db2.gz GNDTWNQVBSUCNF-ROUUACIJSA-N 0 3 324.468 3.411 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cc2ccccc2o1 ZINC001275384819 1104743274 /nfs/dbraw/zinc/74/32/74/1104743274.db2.gz DRAFLURTGVLJST-HUUCEWRRSA-N 0 3 312.413 3.219 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001275399936 1104747525 /nfs/dbraw/zinc/74/75/25/1104747525.db2.gz SRDQDSRWKWEAKC-UONOGXRCSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ccccn2)CCCC1 ZINC001275580284 1104818557 /nfs/dbraw/zinc/81/85/57/1104818557.db2.gz LKIYGXTUWVLSOR-CVEARBPZSA-N 0 3 315.461 3.201 20 30 DGEDHN CCCCCCCCNC(=S)N1CCC2(CN(C)C2)CC1 ZINC001247157401 1104818817 /nfs/dbraw/zinc/81/88/17/1104818817.db2.gz DUAWSCCBHMBYRT-UHFFFAOYSA-N 0 3 311.539 3.249 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001280777568 1104986188 /nfs/dbraw/zinc/98/61/88/1104986188.db2.gz SXLYAZANIQBZLD-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001493186949 1105001078 /nfs/dbraw/zinc/00/10/78/1105001078.db2.gz NLEPJWCEPWZNPH-HNNXBMFYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1ccn(C(C)C)n1 ZINC001276169192 1105036322 /nfs/dbraw/zinc/03/63/22/1105036322.db2.gz XZQBDMMWGCTCMY-UHFFFAOYSA-N 0 3 320.481 3.004 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(C(C)C)c1)C2 ZINC001095687504 1105096866 /nfs/dbraw/zinc/09/68/66/1105096866.db2.gz GRFQBRFYIDPVAW-AABGKKOBSA-N 0 3 324.468 3.097 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCCC)cc1)C2 ZINC001095719361 1105101276 /nfs/dbraw/zinc/10/12/76/1105101276.db2.gz DEPGJPWXKPMAEL-AABGKKOBSA-N 0 3 324.468 3.388 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CCC(c2nc(C)no2)CC1 ZINC001248752027 1105155212 /nfs/dbraw/zinc/15/52/12/1105155212.db2.gz UGNFWILWOLGZIA-UHFFFAOYSA-N 0 3 310.401 3.192 20 30 DGEDHN CCc1noc(C2CCN(Cc3ccc(C#N)cc3CC)CC2)n1 ZINC001248752000 1105155341 /nfs/dbraw/zinc/15/53/41/1105155341.db2.gz SLDFRBAIRIBHBL-UHFFFAOYSA-N 0 3 324.428 3.446 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001248752874 1105156420 /nfs/dbraw/zinc/15/64/20/1105156420.db2.gz FVSFKBBUDXEXRI-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H](Oc2ncccc2C)C1 ZINC001248753256 1105156704 /nfs/dbraw/zinc/15/67/04/1105156704.db2.gz YQLORCYXZDXPRG-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN CCc1ccc(CN2CCC[C@H](NC(=O)C#CC3CC3)[C@H]2C)cc1 ZINC001278510250 1105184729 /nfs/dbraw/zinc/18/47/29/1105184729.db2.gz KYDGLWYMFAVEGY-UZLBHIALSA-N 0 3 324.468 3.132 20 30 DGEDHN N#Cc1ccn2ncc(CN3CC[C@H](c4ccc(F)cc4)C3)c2c1 ZINC001249113664 1105227892 /nfs/dbraw/zinc/22/78/92/1105227892.db2.gz MNSBDFDKQIOMRV-INIZCTEOSA-N 0 3 320.371 3.335 20 30 DGEDHN CN(Cc1cnn2ccc(C#N)cc12)[C@@H]1CCc2ccccc21 ZINC001249124459 1105229338 /nfs/dbraw/zinc/22/93/38/1105229338.db2.gz CPQNMZJLZZRWRL-GOSISDBHSA-N 0 3 302.381 3.325 20 30 DGEDHN C=CCOc1ccc(-c2noc([C@@H]3CC4(CC4)CN3)n2)c(F)c1 ZINC001249213997 1105247276 /nfs/dbraw/zinc/24/72/76/1105247276.db2.gz MONAMRIPFFXJHF-AWEZNQCLSA-N 0 3 315.348 3.255 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(F)ccc3Cl)no2)CCCN1 ZINC001249352171 1105272272 /nfs/dbraw/zinc/27/22/72/1105272272.db2.gz WLPDLLBJQABXGH-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN C[C@@H](C#N)c1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001249559253 1105314214 /nfs/dbraw/zinc/31/42/14/1105314214.db2.gz QPCCPPCZBWJNDE-HNAYVOBHSA-N 0 3 311.429 3.494 20 30 DGEDHN Cc1cc(C#N)c(F)cc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249565743 1105316564 /nfs/dbraw/zinc/31/65/64/1105316564.db2.gz AJHBIRRIOFWSOF-MRXNPFEDSA-N 0 3 315.392 3.186 20 30 DGEDHN CN(CCN(C)Cc1cccc(C#N)c1F)Cc1ccccc1 ZINC001249691962 1105356436 /nfs/dbraw/zinc/35/64/36/1105356436.db2.gz ZBTBCOJAQISEIR-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3)CCC1)C2 ZINC001097481520 1105400779 /nfs/dbraw/zinc/40/07/79/1105400779.db2.gz LVWIWSDPWQKMJB-QRVBRYPASA-N 0 3 324.468 3.406 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc3ccccc13)C2 ZINC001097598963 1105411793 /nfs/dbraw/zinc/41/17/93/1105411793.db2.gz RDEHJZMUHYPTCN-XYPHTWIQSA-N 0 3 324.449 3.260 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3ccccc31)C2 ZINC001097740313 1105437997 /nfs/dbraw/zinc/43/79/97/1105437997.db2.gz CAKBKXMXYVWDAM-NXHRZFHOSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C2 ZINC001097829862 1105448865 /nfs/dbraw/zinc/44/88/65/1105448865.db2.gz WUCZCIDPSCILOL-TUVASFSCSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(F)c1)C2 ZINC001097910339 1105462399 /nfs/dbraw/zinc/46/23/99/1105462399.db2.gz YICCTYJELLYXLH-ZACQAIPSSA-N 0 3 302.393 3.045 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCC3)C2 ZINC001098366883 1105571989 /nfs/dbraw/zinc/57/19/89/1105571989.db2.gz BPCBZRQZTBCXMN-QRVBRYPASA-N 0 3 310.441 3.087 20 30 DGEDHN CC(C)c1ccc(OC[C@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC001250741949 1105573370 /nfs/dbraw/zinc/57/33/70/1105573370.db2.gz CQBRVMNNUTWRDJ-LJQANCHMSA-N 0 3 324.424 3.211 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)coc2C)C1 ZINC001098820705 1105606481 /nfs/dbraw/zinc/60/64/81/1105606481.db2.gz WSOVUHBTYAGZIJ-YJBOKZPZSA-N 0 3 302.418 3.057 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccc(C)o1 ZINC001099023796 1105631423 /nfs/dbraw/zinc/63/14/23/1105631423.db2.gz SZZBKJIBBBEJKG-MRXNPFEDSA-N 0 3 318.461 3.313 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(F)c2Cl)C1 ZINC001099050227 1105635045 /nfs/dbraw/zinc/63/50/45/1105635045.db2.gz MCAZDYCYQKZVRE-SJCJKPOMSA-N 0 3 322.811 3.249 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001099049739 1105635162 /nfs/dbraw/zinc/63/51/62/1105635162.db2.gz WZGRMZFAEWUAND-XLSPSMHOSA-N 0 3 316.489 3.360 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001099054032 1105635494 /nfs/dbraw/zinc/63/54/94/1105635494.db2.gz SDKHPUJGRCBGRR-CUWPLCDZSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001099119255 1105644396 /nfs/dbraw/zinc/64/43/96/1105644396.db2.gz LIFWFKKYHIUCLC-MPGHIAIKSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001099130733 1105647059 /nfs/dbraw/zinc/64/70/59/1105647059.db2.gz QRMQNOREHRNOJV-HNNXBMFYSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C=C ZINC001099169927 1105652616 /nfs/dbraw/zinc/65/26/16/1105652616.db2.gz BEULOKBROOPMHN-MRXNPFEDSA-N 0 3 322.493 3.008 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOCC=C ZINC001099203369 1105657838 /nfs/dbraw/zinc/65/78/38/1105657838.db2.gz LVAMTCOXFWJZNX-QGZVFWFLSA-N 0 3 322.493 3.152 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001099230598 1105659984 /nfs/dbraw/zinc/65/99/84/1105659984.db2.gz WCEYCZSHDPZWLD-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257373 1105662104 /nfs/dbraw/zinc/66/21/04/1105662104.db2.gz DXWZZDHVNWPYMM-IAGOWNOFSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001099264578 1105662992 /nfs/dbraw/zinc/66/29/92/1105662992.db2.gz VKVRJPUMEZBSSR-JKSUJKDBSA-N 0 3 318.461 3.251 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cccc1 ZINC001099310171 1105667825 /nfs/dbraw/zinc/66/78/25/1105667825.db2.gz IVDCCWFIXGTAFR-SJORKVTESA-N 0 3 317.477 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ccc(C)o1 ZINC001099348040 1105671724 /nfs/dbraw/zinc/67/17/24/1105671724.db2.gz FODPYZAKCVPWEY-INIZCTEOSA-N 0 3 318.461 3.313 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCCC)C(C)C)C2 ZINC001111474640 1105687048 /nfs/dbraw/zinc/68/70/48/1105687048.db2.gz DELYDKKFKHMAFE-XDNAFOTISA-N 0 3 304.478 3.194 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCC(=O)NC1CCCCC1 ZINC001252135622 1105748844 /nfs/dbraw/zinc/74/88/44/1105748844.db2.gz GNKJDJYSGCJVIY-QGZVFWFLSA-N 0 3 312.498 3.136 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001491119072 1105757315 /nfs/dbraw/zinc/75/73/15/1105757315.db2.gz BMHMLSOHNNGSDJ-IRXDYDNUSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001491118854 1105757970 /nfs/dbraw/zinc/75/79/70/1105757970.db2.gz XMQRHAYIVBOHLR-INIZCTEOSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001491123153 1105759029 /nfs/dbraw/zinc/75/90/29/1105759029.db2.gz QSYZBVOVJSQXTN-QFUCXCTJSA-N 0 3 324.468 3.032 20 30 DGEDHN N#C[C@H]1CCCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252383948 1105775575 /nfs/dbraw/zinc/77/55/75/1105775575.db2.gz ZBTDJWJMNBUBAG-FUHWJXTLSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001491216434 1105777960 /nfs/dbraw/zinc/77/79/60/1105777960.db2.gz GWMZZQWMPBJWMX-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCOC[C@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC001252450712 1105780007 /nfs/dbraw/zinc/78/00/07/1105780007.db2.gz GLVUPVCSLFNRCS-CMPLNLGQSA-N 0 3 304.217 3.208 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001491231085 1105785142 /nfs/dbraw/zinc/78/51/42/1105785142.db2.gz RAVSRIXXIOPCTK-ZWKOTPCHSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001278673012 1105796720 /nfs/dbraw/zinc/79/67/20/1105796720.db2.gz ODTRWFQJWBBXDB-KRWDZBQOSA-N 0 3 324.827 3.497 20 30 DGEDHN C=C[C@](C)(O)CNCc1nc2ccccc2n1Cc1ccccc1 ZINC001252578723 1105797538 /nfs/dbraw/zinc/79/75/38/1105797538.db2.gz SJRAHMPWXPBSKP-FQEVSTJZSA-N 0 3 321.424 3.111 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001491287955 1105798450 /nfs/dbraw/zinc/79/84/50/1105798450.db2.gz QJXIRIBTCHLYOB-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCC[C@H](O)CNCc1cncn1Cc1cccc(Cl)c1 ZINC001252621853 1105806619 /nfs/dbraw/zinc/80/66/19/1105806619.db2.gz JKFDHMIROAVTRE-KRWDZBQOSA-N 0 3 319.836 3.002 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCC(NCc2cnc(C)o2)CC1 ZINC001491364238 1105812044 /nfs/dbraw/zinc/81/20/44/1105812044.db2.gz VZKUEMWDMPZITA-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001491412367 1105822681 /nfs/dbraw/zinc/82/26/81/1105822681.db2.gz YSAYLDCAFTVWHY-BDJLRTHQSA-N 0 3 308.372 3.013 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001278681084 1105826121 /nfs/dbraw/zinc/82/61/21/1105826121.db2.gz AIYMEZZYVQMVJD-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C[C@H](CNC(=O)CC(C)(C)C1CC1)NCc1ccc(C#N)s1 ZINC001491447180 1105828823 /nfs/dbraw/zinc/82/88/23/1105828823.db2.gz IPIPFKUOOUJFPZ-GFCCVEGCSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001100839441 1105854601 /nfs/dbraw/zinc/85/46/01/1105854601.db2.gz LVVWMBXWCNPKKX-SLTAFYQDSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001278690674 1105866461 /nfs/dbraw/zinc/86/64/61/1105866461.db2.gz SSWNRQPIMZPZCZ-IRXDYDNUSA-N 0 3 318.436 3.142 20 30 DGEDHN C#CCC1(C(=O)NCC2CC(NCC(=C)Cl)C2)CCCCC1 ZINC001101055401 1105880604 /nfs/dbraw/zinc/88/06/04/1105880604.db2.gz XHRQTKBFYNXOLQ-UHFFFAOYSA-N 0 3 322.880 3.197 20 30 DGEDHN C=CCC1(C(=O)NCC2CC(NCC(=C)Cl)C2)CCCC1 ZINC001101080205 1105883199 /nfs/dbraw/zinc/88/31/99/1105883199.db2.gz DFXFBHSFRMBNJV-UHFFFAOYSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC001253246358 1105910509 /nfs/dbraw/zinc/91/05/09/1105910509.db2.gz NYGNRNTVOMGVMC-QZTJIDSGSA-N 0 3 309.425 3.336 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H](CO)c1ccc(OC)cc1 ZINC001253251764 1105911850 /nfs/dbraw/zinc/91/18/50/1105911850.db2.gz ODVZFZFHNPHYPQ-PKOBYXMFSA-N 0 3 321.461 3.206 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101470529 1105920540 /nfs/dbraw/zinc/92/05/40/1105920540.db2.gz WMWLBNWZPMLRPF-UZLBHIALSA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@](C)(CC)CCCCC)C[C@]2(C)C1 ZINC001101480260 1105921584 /nfs/dbraw/zinc/92/15/84/1105921584.db2.gz IMPIAWUZTJUACI-RLLQIKCJSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C[C@H](O)CN1CCC(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001253588644 1105961534 /nfs/dbraw/zinc/96/15/34/1105961534.db2.gz ZATWTRKSRBWJQC-SFHVURJKSA-N 0 3 315.457 3.426 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001278747982 1106000765 /nfs/dbraw/zinc/00/07/65/1106000765.db2.gz VWTJQXMMMJZIEU-CYBMUJFWSA-N 0 3 302.409 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2ccccc2F)C[C@H]1C ZINC001102226311 1106039619 /nfs/dbraw/zinc/03/96/19/1106039619.db2.gz KTBOSRUWHZLWJW-GDBMZVCRSA-N 0 3 318.436 3.222 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CN(Cc2ccccc2F)C[C@H]1C ZINC001102295528 1106047380 /nfs/dbraw/zinc/04/73/80/1106047380.db2.gz NVHVJFHBJMGDMX-NVXWUHKLSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688673 1106096636 /nfs/dbraw/zinc/09/66/36/1106096636.db2.gz OJXNIQQDJPLLRO-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688673 1106096644 /nfs/dbraw/zinc/09/66/44/1106096644.db2.gz OJXNIQQDJPLLRO-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001102784415 1106105108 /nfs/dbraw/zinc/10/51/08/1106105108.db2.gz RIQWIMGWDKYTTK-AQGQNPDFSA-N 0 3 312.885 3.415 20 30 DGEDHN COC(=O)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC001254644584 1106120957 /nfs/dbraw/zinc/12/09/57/1106120957.db2.gz ZJGLSAGNJZJVKP-DFBGVHRSSA-N 0 3 306.793 3.226 20 30 DGEDHN CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)C(=O)Nc1ccc(F)cc1 ZINC001254649811 1106122620 /nfs/dbraw/zinc/12/26/20/1106122620.db2.gz RFJJUGQGISZDKC-RCBQFDQVSA-N 0 3 303.381 3.071 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001254649298 1106122862 /nfs/dbraw/zinc/12/28/62/1106122862.db2.gz ROIVIDIECMWKPD-ZBFHGGJFSA-N 0 3 314.820 3.367 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CCN([C@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254660605 1106126519 /nfs/dbraw/zinc/12/65/19/1106126519.db2.gz YVASPIWIDPTCQT-LVQVYYBASA-N 0 3 319.449 3.010 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254667304 1106127216 /nfs/dbraw/zinc/12/72/16/1106127216.db2.gz ANYZXQZSSAHQQX-APIJFGDWSA-N 0 3 307.438 3.056 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254668558 1106128375 /nfs/dbraw/zinc/12/83/75/1106128375.db2.gz IYJLKILWOIMLKG-GOEBONIOSA-N 0 3 321.465 3.400 20 30 DGEDHN COc1ccccc1OC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670773 1106129373 /nfs/dbraw/zinc/12/93/73/1106129373.db2.gz MJBWYMCPDDIQOM-CABCVRRESA-N 0 3 300.402 3.231 20 30 DGEDHN COc1cccc(O[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254670088 1106129747 /nfs/dbraw/zinc/12/97/47/1106129747.db2.gz YYBZPTYSYQQNPO-IIDMSEBBSA-N 0 3 300.402 3.231 20 30 DGEDHN C=C[C@@H](COC)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001255019904 1106167731 /nfs/dbraw/zinc/16/77/31/1106167731.db2.gz VOZQTAGAIXVBJY-SMDDNHRTSA-N 0 3 301.308 3.363 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001103252317 1106182338 /nfs/dbraw/zinc/18/23/38/1106182338.db2.gz GTKGZVKMSBGWNR-DNNBLBMLSA-N 0 3 310.869 3.003 20 30 DGEDHN CC[C@@H](CC#N)NC[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255151403 1106191820 /nfs/dbraw/zinc/19/18/20/1106191820.db2.gz ALEQWXRIQJBVEZ-MPGHIAIKSA-N 0 3 321.465 3.305 20 30 DGEDHN CC[C@H](CC#N)NC[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255152624 1106192501 /nfs/dbraw/zinc/19/25/01/1106192501.db2.gz ZGHZBDZVIZGHEM-ZJIFWQFVSA-N 0 3 321.465 3.161 20 30 DGEDHN CC[C@@H](CC#N)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255165336 1106195989 /nfs/dbraw/zinc/19/59/89/1106195989.db2.gz WERWUKFYNOFLRM-HNNXBMFYSA-N 0 3 321.465 3.448 20 30 DGEDHN CC[C@@H](CC#N)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255166223 1106197666 /nfs/dbraw/zinc/19/76/66/1106197666.db2.gz HPIGWBKZILNQNQ-HNNXBMFYSA-N 0 3 309.454 3.258 20 30 DGEDHN CC[C@@H](CC#N)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001255172409 1106198174 /nfs/dbraw/zinc/19/81/74/1106198174.db2.gz OVHFPABAXJSKQD-IRXDYDNUSA-N 0 3 317.477 3.087 20 30 DGEDHN C[C@@H](Cc1ccccn1)N1CCC(Oc2ccccc2C#N)CC1 ZINC001256422310 1106419360 /nfs/dbraw/zinc/41/93/60/1106419360.db2.gz QAOBUXGKYZFZTJ-INIZCTEOSA-N 0 3 321.424 3.428 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1c(C)nsc1C)C(C)(C)C ZINC001278945989 1106444080 /nfs/dbraw/zinc/44/40/80/1106444080.db2.gz RXWWAOCGHYBXBZ-HNNXBMFYSA-N 0 3 323.506 3.347 20 30 DGEDHN COc1cccc2c1CC[C@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001256637716 1106459382 /nfs/dbraw/zinc/45/93/82/1106459382.db2.gz ZBTIGYLABXJVPX-ZDUSSCGKSA-N 0 3 315.804 3.006 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccccc1)c1ccccc1CC ZINC001278964430 1106482624 /nfs/dbraw/zinc/48/26/24/1106482624.db2.gz UJODJYZYHDMROT-HXUWFJFHSA-N 0 3 320.436 3.333 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257113929 1106541011 /nfs/dbraw/zinc/54/10/11/1106541011.db2.gz KGUJGBCUMYWKIJ-RBSFLKMASA-N 0 3 309.454 3.446 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001278996061 1106545308 /nfs/dbraw/zinc/54/53/08/1106545308.db2.gz RDWJWHVCYDHOON-UKRRQHHQSA-N 0 3 323.506 3.366 20 30 DGEDHN CCOC(=O)c1ccc(C[C@@H](C)NCc2cc(C#N)co2)cc1 ZINC001257153540 1106545437 /nfs/dbraw/zinc/54/54/37/1106545437.db2.gz FQBPDSFLMNGLBX-CYBMUJFWSA-N 0 3 312.369 3.049 20 30 DGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2[C@H]1COc2ccc(Cl)cc2C1 ZINC001257968614 1106652788 /nfs/dbraw/zinc/65/27/88/1106652788.db2.gz MWCQFZGNUFIDOS-BQDHKBFISA-N 0 3 302.805 3.410 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](CC)CCCC)CC1 ZINC001279063648 1106653518 /nfs/dbraw/zinc/65/35/18/1106653518.db2.gz HDCOPVXGCOYXHR-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN CCCCCCCCC[C@@H](C)N1CCN(CC(=O)OC)CC1 ZINC001258227728 1106702463 /nfs/dbraw/zinc/70/24/63/1106702463.db2.gz ARWUKEABLHQITR-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN CC#CCN(CCCNC(=O)c1c[nH]c2ccc(C)cc12)C1CC1 ZINC001316927376 1106773633 /nfs/dbraw/zinc/77/36/33/1106773633.db2.gz NYHNHJVRUMGDMF-UHFFFAOYSA-N 0 3 323.440 3.084 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1sccc1-n1cccc1 ZINC001320028907 1106796948 /nfs/dbraw/zinc/79/69/48/1106796948.db2.gz HIOXMXCROIIDLE-UHFFFAOYSA-N 0 3 317.458 3.119 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001316947829 1106808486 /nfs/dbraw/zinc/80/84/86/1106808486.db2.gz ODVIIYCEMBFMSB-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001316948767 1106812101 /nfs/dbraw/zinc/81/21/01/1106812101.db2.gz HYKLUDIYALHRSI-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001316949818 1106814643 /nfs/dbraw/zinc/81/46/43/1106814643.db2.gz AIWKSRWHUSCIBN-CQSZACIVSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)CCc1cccc(F)c1 ZINC001320085440 1106853500 /nfs/dbraw/zinc/85/35/00/1106853500.db2.gz QYMRSBNDJDGWRV-MRXNPFEDSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001320112220 1106881341 /nfs/dbraw/zinc/88/13/41/1106881341.db2.gz SOMHDWNCJZCTQX-LGIYYPAKSA-N 0 3 310.869 3.264 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001317005048 1106887930 /nfs/dbraw/zinc/88/79/30/1106887930.db2.gz FPENNNWZZKITSC-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC001317005046 1106889276 /nfs/dbraw/zinc/88/92/76/1106889276.db2.gz FPENNNWZZKITSC-FUHWJXTLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1cccc(Cl)c1F)C1CC1 ZINC001317011161 1106898002 /nfs/dbraw/zinc/89/80/02/1106898002.db2.gz MXUUGNZGSWAJJK-HNNXBMFYSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)Cc2ccccn2)C1 ZINC001317037565 1106933815 /nfs/dbraw/zinc/93/38/15/1106933815.db2.gz VSNIMAPYUGVZFJ-KRWDZBQOSA-N 0 3 315.461 3.108 20 30 DGEDHN N#CC1(CNCCc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC001474747211 1106938485 /nfs/dbraw/zinc/93/84/85/1106938485.db2.gz AYGJCNUZAHJTTJ-UHFFFAOYSA-N 0 3 313.228 3.446 20 30 DGEDHN C[C@H]1CCC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001258829069 1107012420 /nfs/dbraw/zinc/01/24/20/1107012420.db2.gz VUVUQBLVRZNSSZ-HOCLYGCPSA-N 0 3 301.409 3.398 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001317119008 1107014419 /nfs/dbraw/zinc/01/44/19/1107014419.db2.gz FOQANXHTSHADSW-FCEWJHQRSA-N 0 3 318.436 3.473 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)cccc1Cl ZINC001320541811 1107047929 /nfs/dbraw/zinc/04/79/29/1107047929.db2.gz AMOAOHDPIQCJRS-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2nc(C)cs2)CCC1 ZINC001320545449 1107049471 /nfs/dbraw/zinc/04/94/71/1107049471.db2.gz YDAULVQXBJPXEX-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001317154979 1107059488 /nfs/dbraw/zinc/05/94/88/1107059488.db2.gz MAZVXLAZKXIHSO-IAOKNECISA-N 0 3 319.276 3.490 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001317180121 1107101268 /nfs/dbraw/zinc/10/12/68/1107101268.db2.gz OREFEEBLKUAVOU-MRXNPFEDSA-N 0 3 304.409 3.263 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001317181732 1107103935 /nfs/dbraw/zinc/10/39/35/1107103935.db2.gz VYFGUMJVNSALJR-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC001317200217 1107119184 /nfs/dbraw/zinc/11/91/84/1107119184.db2.gz IZBPEWPFSGYCNV-WMZOPIPTSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC(C)C ZINC001317210230 1107131036 /nfs/dbraw/zinc/13/10/36/1107131036.db2.gz WKKJKRZWEPBGOT-MSOLQXFVSA-N 0 3 304.478 3.291 20 30 DGEDHN CC(C)(C)C#CC(=O)NC/C=C\CNCc1ccc(Cl)s1 ZINC001321053382 1107235759 /nfs/dbraw/zinc/23/57/59/1107235759.db2.gz XZDXDKCUABJTEB-PLNGDYQASA-N 0 3 324.877 3.213 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)c2ccco2)cc1 ZINC001317366811 1107270925 /nfs/dbraw/zinc/27/09/25/1107270925.db2.gz UNTQLIGQKZBGPU-UHFFFAOYSA-N 0 3 318.804 3.094 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CN[C@@H](C)c1cccc(OC)c1 ZINC001321188214 1107279686 /nfs/dbraw/zinc/27/96/86/1107279686.db2.gz GEXJRCGAHISFPL-KIUWMYQTSA-N 0 3 316.445 3.230 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC001317381466 1107290133 /nfs/dbraw/zinc/29/01/33/1107290133.db2.gz OEISXRBWGNXKIT-OAHLLOKOSA-N 0 3 316.470 3.185 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001321231180 1107294496 /nfs/dbraw/zinc/29/44/96/1107294496.db2.gz HDLYEKPKJSIUTR-FQQSSWHASA-N 0 3 318.436 3.498 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001317384513 1107294977 /nfs/dbraw/zinc/29/49/77/1107294977.db2.gz XJIYHCXINIBRKN-DIBVOSKASA-N 0 3 310.441 3.036 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001317384179 1107295505 /nfs/dbraw/zinc/29/55/05/1107295505.db2.gz LPDHEYHJSNUFMM-WOJBJXKFSA-N 0 3 324.468 3.292 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2ocnc2C)CCCC1 ZINC001317417577 1107340765 /nfs/dbraw/zinc/34/07/65/1107340765.db2.gz MUIFNDBUSJQPHW-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1c[nH]cc1C ZINC001317433785 1107361688 /nfs/dbraw/zinc/36/16/88/1107361688.db2.gz GZHHMIWNQPBELI-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@H]1CCc2ccc(Cl)cc21 ZINC001317444428 1107385183 /nfs/dbraw/zinc/38/51/83/1107385183.db2.gz SCZNOCHWRFSBCZ-KRWDZBQOSA-N 0 3 318.848 3.035 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cccc(C(F)F)c1F ZINC001317445698 1107388965 /nfs/dbraw/zinc/38/89/65/1107388965.db2.gz FRAUUPDJZOEXHO-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001321618518 1107395181 /nfs/dbraw/zinc/39/51/81/1107395181.db2.gz WDXOOOMOQNORFW-LLVKDONJSA-N 0 3 312.816 3.286 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1ccc(Cl)cc1C ZINC001317459845 1107410909 /nfs/dbraw/zinc/41/09/09/1107410909.db2.gz UFMSHHHFNNJPGM-UHFFFAOYSA-N 0 3 308.853 3.409 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001317485018 1107441507 /nfs/dbraw/zinc/44/15/07/1107441507.db2.gz OYVKBMWMVHTNIQ-QZTJIDSGSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1coc2ccc(C)cc12 ZINC001317501790 1107462811 /nfs/dbraw/zinc/46/28/11/1107462811.db2.gz KXJBDOIUBJIKJZ-MRXNPFEDSA-N 0 3 312.413 3.050 20 30 DGEDHN N#CCOc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001261553591 1107463834 /nfs/dbraw/zinc/46/38/34/1107463834.db2.gz FGDNYKOATKWARG-QGZVFWFLSA-N 0 3 323.352 3.274 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cc(C)ccc2F)CCC1 ZINC001321977950 1107477997 /nfs/dbraw/zinc/47/79/97/1107477997.db2.gz HUMOBZYKHSGXCA-HNNXBMFYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001317516731 1107481125 /nfs/dbraw/zinc/48/11/25/1107481125.db2.gz QDKMQNSDJDYLLW-WMZOPIPTSA-N 0 3 300.446 3.022 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001322032772 1107488470 /nfs/dbraw/zinc/48/84/70/1107488470.db2.gz LGMNGPBWSCDMDC-FXAWDEMLSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)CCCC1 ZINC001322099440 1107509582 /nfs/dbraw/zinc/50/95/82/1107509582.db2.gz OLNWJHIAADPRLI-SFHVURJKSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001317545005 1107510536 /nfs/dbraw/zinc/51/05/36/1107510536.db2.gz BOQXJKXSYKSPCB-SFHVURJKSA-N 0 3 314.473 3.025 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cc2ccccc2o1)C1CC1 ZINC001317553810 1107528502 /nfs/dbraw/zinc/52/85/02/1107528502.db2.gz DMDMHQZQDRDHCK-UHFFFAOYSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cnc2ccsc2c1)C1CC1 ZINC001317555241 1107532141 /nfs/dbraw/zinc/53/21/41/1107532141.db2.gz UBGRXOGDMYJHSH-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)nc1C(C)C)C1CC1 ZINC001317555616 1107534099 /nfs/dbraw/zinc/53/40/99/1107534099.db2.gz ZEPPIIHARUXLRR-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@]12CCc1ccccc12)C1CC1 ZINC001317558823 1107538627 /nfs/dbraw/zinc/53/86/27/1107538627.db2.gz MWNGYKZCWCRREV-FPOVZHCZSA-N 0 3 324.468 3.047 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(C)n(C(C)C)c1C)C1CC1 ZINC001317559877 1107541684 /nfs/dbraw/zinc/54/16/84/1107541684.db2.gz NTAJELCSEXSMFV-UHFFFAOYSA-N 0 3 303.450 3.066 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001322231857 1107581725 /nfs/dbraw/zinc/58/17/25/1107581725.db2.gz XAGPDOOPONWCQP-IJLUTSLNSA-N 0 3 312.866 3.128 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)C(C)(C)C ZINC001317709480 1107612467 /nfs/dbraw/zinc/61/24/67/1107612467.db2.gz PACSWPVGHNCJTC-UHFFFAOYSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CC[C@H]1CCc2ccccc21 ZINC001322306590 1107623492 /nfs/dbraw/zinc/62/34/92/1107623492.db2.gz MQSXLIMRFKOOAV-DOTOQJQBSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC001317722475 1107623796 /nfs/dbraw/zinc/62/37/96/1107623796.db2.gz UWKHLYKLWZBGKS-KRWDZBQOSA-N 0 3 310.397 3.404 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001317727446 1107626512 /nfs/dbraw/zinc/62/65/12/1107626512.db2.gz AIMXLXAFNIZSHH-BRWVUGGUSA-N 0 3 317.477 3.230 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CCc1ccccc1)c1ccccc1 ZINC001317727413 1107626670 /nfs/dbraw/zinc/62/66/70/1107626670.db2.gz RDRIMGRHZJVTPJ-FQEVSTJZSA-N 0 3 320.436 3.090 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(Cc3c(C)cccc3C)C2)C1 ZINC001318150572 1107863771 /nfs/dbraw/zinc/86/37/71/1107863771.db2.gz PNMLOSRYDYAVHJ-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001318273714 1107924433 /nfs/dbraw/zinc/92/44/33/1107924433.db2.gz VVNRJBSQELKIKC-GJZGRUSLSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001323309926 1107929608 /nfs/dbraw/zinc/92/96/08/1107929608.db2.gz PDWCAISAMQFWJF-ZBFHGGJFSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001323309915 1107930370 /nfs/dbraw/zinc/93/03/70/1107930370.db2.gz PDWCAISAMQFWJF-GOEBONIOSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1C ZINC001323372092 1107956607 /nfs/dbraw/zinc/95/66/07/1107956607.db2.gz QKAPLAMLHFOKDR-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001318357647 1107957176 /nfs/dbraw/zinc/95/71/76/1107957176.db2.gz AZDMJZOAQYWHKU-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001263152615 1107962428 /nfs/dbraw/zinc/96/24/28/1107962428.db2.gz NTHULULXHGIOJD-GOSISDBHSA-N 0 3 313.445 3.478 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001263183014 1107969734 /nfs/dbraw/zinc/96/97/34/1107969734.db2.gz FUEGCOWMDFAEFU-INIZCTEOSA-N 0 3 319.424 3.438 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2ccc3cc[nH]c3c2)CC1 ZINC001323423495 1107971319 /nfs/dbraw/zinc/97/13/19/1107971319.db2.gz FGIYZHDOKDHWIZ-UHFFFAOYSA-N 0 3 323.440 3.100 20 30 DGEDHN CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@H](N)CCCCC#N ZINC001263221763 1107979388 /nfs/dbraw/zinc/97/93/88/1107979388.db2.gz ZYKXJJNIBFXMNO-DLBZAZTESA-N 0 3 313.445 3.192 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2cc(C)cc(C)c2)C1 ZINC001318443297 1108011229 /nfs/dbraw/zinc/01/12/29/1108011229.db2.gz VQZDTIUSCIPYQN-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)c1nc2ccccc2cc1C1CC1 ZINC001263332638 1108020445 /nfs/dbraw/zinc/02/04/45/1108020445.db2.gz UXGGTGGCQSCFDR-OAHLLOKOSA-N 0 3 316.364 3.336 20 30 DGEDHN CC(C)(Oc1ccc(F)cc1)C(=O)C(C#N)c1cccc(F)n1 ZINC001263378146 1108031814 /nfs/dbraw/zinc/03/18/14/1108031814.db2.gz WXGIDKLVLFRWSW-ZDUSSCGKSA-N 0 3 316.307 3.394 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001323811750 1108092341 /nfs/dbraw/zinc/09/23/41/1108092341.db2.gz GJVKPOLUTAMIBW-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001323833426 1108097412 /nfs/dbraw/zinc/09/74/12/1108097412.db2.gz YOJWOUHJBGRUJV-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2c(C)nsc2C)C1 ZINC001318568951 1108101138 /nfs/dbraw/zinc/10/11/38/1108101138.db2.gz FHVHNSQFVSZSJK-CQSZACIVSA-N 0 3 321.490 3.101 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001263620455 1108117366 /nfs/dbraw/zinc/11/73/66/1108117366.db2.gz VCQNSLSMHLTIKL-MNOVXSKESA-N 0 3 317.776 3.352 20 30 DGEDHN O=C(CCC1CC1)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001318624511 1108129596 /nfs/dbraw/zinc/12/95/96/1108129596.db2.gz QKCLAKKSBJATPQ-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN CC(C)(C)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC001318657439 1108141899 /nfs/dbraw/zinc/14/18/99/1108141899.db2.gz SVIBDZBDZUEJKB-UHFFFAOYSA-N 0 3 321.852 3.158 20 30 DGEDHN C=CCO[C@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001324039329 1108154888 /nfs/dbraw/zinc/15/48/88/1108154888.db2.gz NTFURXIJWDNZOX-LSDHHAIUSA-N 0 3 315.335 3.016 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CCNCc2conc2C)C1 ZINC001318805761 1108201562 /nfs/dbraw/zinc/20/15/62/1108201562.db2.gz RYLUQMGQWMOXER-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C1CCC1)C1CCC1 ZINC001263806632 1108212084 /nfs/dbraw/zinc/21/20/84/1108212084.db2.gz DDNFNTKUMGKKMQ-QGZVFWFLSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC001263813054 1108223184 /nfs/dbraw/zinc/22/31/84/1108223184.db2.gz ZNRWOCSYXGEDEQ-QGZVFWFLSA-N 0 3 318.436 3.212 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1nocc1C ZINC001263817203 1108226871 /nfs/dbraw/zinc/22/68/71/1108226871.db2.gz QALGPVFONBQTDG-HNNXBMFYSA-N 0 3 307.438 3.100 20 30 DGEDHN CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)CC#Cc1ccccc1 ZINC001263821574 1108233776 /nfs/dbraw/zinc/23/37/76/1108233776.db2.gz VAFAOXVHGZFSFY-DPZZJQGRSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001263823810 1108236956 /nfs/dbraw/zinc/23/69/56/1108236956.db2.gz XQUANMOYSFTMAV-KGLIPLIRSA-N 0 3 321.490 3.207 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001324352755 1108261245 /nfs/dbraw/zinc/26/12/45/1108261245.db2.gz JJHHGBMQBIIZQS-UHFFFAOYSA-N 0 3 324.468 3.012 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1CCN(CC=C)CC1 ZINC001324425775 1108282538 /nfs/dbraw/zinc/28/25/38/1108282538.db2.gz ABPBSBRIOAHTJJ-DLBZAZTESA-N 0 3 318.505 3.417 20 30 DGEDHN C#CCN(C(=O)CCC1(C)CC1)C1CCN(CC(=C)C)CC1 ZINC001324432529 1108286673 /nfs/dbraw/zinc/28/66/73/1108286673.db2.gz XLEGQHHCFOPKGI-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NCc2oc(C)nc2C)C1 ZINC001263903469 1108291502 /nfs/dbraw/zinc/29/15/02/1108291502.db2.gz WCGRZXNJHOGUGO-JKSUJKDBSA-N 0 3 319.449 3.022 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C(\C)CC)C2)CC1 ZINC001263937194 1108303338 /nfs/dbraw/zinc/30/33/38/1108303338.db2.gz WBMULTYLCMBPDE-HJUDDPQBSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccncc1 ZINC001263946697 1108307334 /nfs/dbraw/zinc/30/73/34/1108307334.db2.gz WWFPYSMCRJNFHC-BBRMVZONSA-N 0 3 321.852 3.055 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ccncc1 ZINC001263946698 1108308695 /nfs/dbraw/zinc/30/86/95/1108308695.db2.gz WWFPYSMCRJNFHC-CJNGLKHVSA-N 0 3 321.852 3.055 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccnc1 ZINC001263946523 1108308882 /nfs/dbraw/zinc/30/88/82/1108308882.db2.gz UKHVWRWKDSPJSV-BBRMVZONSA-N 0 3 321.852 3.055 20 30 DGEDHN C#CCOCCN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001324516578 1108324868 /nfs/dbraw/zinc/32/48/68/1108324868.db2.gz RSBDNUMCBMIQFK-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)[C@H]21 ZINC001264029592 1108344141 /nfs/dbraw/zinc/34/41/41/1108344141.db2.gz GPJHNZICYXVHIY-QRQLOZEOSA-N 0 3 316.489 3.361 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001319238282 1108379389 /nfs/dbraw/zinc/37/93/89/1108379389.db2.gz SDHLTXRGTIIMFZ-SCLBCKFNSA-N 0 3 324.415 3.409 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2ccccc2F)[C@@H]1C ZINC001264156038 1108403727 /nfs/dbraw/zinc/40/37/27/1108403727.db2.gz JLOAXUXSWFALDR-PBHICJAKSA-N 0 3 318.436 3.159 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001324655472 1108404663 /nfs/dbraw/zinc/40/46/63/1108404663.db2.gz DYGFEJZKIDBTOC-QFBILLFUSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001324668764 1108414204 /nfs/dbraw/zinc/41/42/04/1108414204.db2.gz IMLXGMCNEHNIIZ-APWZRJJASA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001324671564 1108416095 /nfs/dbraw/zinc/41/60/95/1108416095.db2.gz FCMXOLIZCJJWSQ-XLIONFOSSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC1(C(F)(F)F)CC1 ZINC001264183510 1108420333 /nfs/dbraw/zinc/42/03/33/1108420333.db2.gz RSWLLWYGBCLCHM-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001319429525 1108461748 /nfs/dbraw/zinc/46/17/48/1108461748.db2.gz IMERGZZCQRXWEK-CHWSQXEVSA-N 0 3 310.388 3.429 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001264373580 1108486733 /nfs/dbraw/zinc/48/67/33/1108486733.db2.gz XBWNPHGNBJUTAL-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001264375177 1108489164 /nfs/dbraw/zinc/48/91/64/1108489164.db2.gz VXGJCQWTKLLVOZ-LPHOPBHVSA-N 0 3 314.473 3.461 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001264430743 1108528008 /nfs/dbraw/zinc/52/80/08/1108528008.db2.gz MDWBTNSUQYQELR-ZJOUEHCJSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccc(F)cc2)C1 ZINC001324944839 1108528549 /nfs/dbraw/zinc/52/85/49/1108528549.db2.gz UJVVEJNYUFEKHC-LJQANCHMSA-N 0 3 318.436 3.163 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCC(C)(F)F)C1 ZINC001264469188 1108546070 /nfs/dbraw/zinc/54/60/70/1108546070.db2.gz ZDSMDBABJIRNDP-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)C(C)(F)F ZINC001264568795 1108574587 /nfs/dbraw/zinc/57/45/87/1108574587.db2.gz GWKCHZZLGAWHRY-DGCLKSJQSA-N 0 3 322.827 3.391 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H](C)CCC)C2)CC1 ZINC001264495143 1108552434 /nfs/dbraw/zinc/55/24/34/1108552434.db2.gz BSVFZRNQLLUHRD-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CN(CC)CCC2(F)F)CCCC1 ZINC001325055188 1108572803 /nfs/dbraw/zinc/57/28/03/1108572803.db2.gz SBTSSBGRKKIQIA-AWEZNQCLSA-N 0 3 314.420 3.216 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)C)C(C)(C)[C@H]21 ZINC001264586948 1108581418 /nfs/dbraw/zinc/58/14/18/1108581418.db2.gz VZFFYSDYEQCBNY-QRQLOZEOSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001319676909 1108590513 /nfs/dbraw/zinc/59/05/13/1108590513.db2.gz VCJHWFCHWKLQNY-BQFYNABESA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)c(C)s1 ZINC001264745737 1108644892 /nfs/dbraw/zinc/64/48/92/1108644892.db2.gz RNVAAQGTMUJCNE-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN CN(CC#Cc1ccccc1)CCC1CCN(C(=O)C2CC2)CC1 ZINC001319869765 1108671359 /nfs/dbraw/zinc/67/13/59/1108671359.db2.gz PQRPNZWKLAVMPX-UHFFFAOYSA-N 0 3 324.468 3.009 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCC1(C)C)C(C)C ZINC001319938201 1108703065 /nfs/dbraw/zinc/70/30/65/1108703065.db2.gz ZTFMUWVYBAWIPY-ZIAGYGMSSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(F)cc(F)c1)C(C)C ZINC001319957293 1108715367 /nfs/dbraw/zinc/71/53/67/1108715367.db2.gz IJCMDGDTYWGQQK-AWEZNQCLSA-N 0 3 316.779 3.061 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)C1CCCC1)C(C)C ZINC001319957922 1108715617 /nfs/dbraw/zinc/71/56/17/1108715617.db2.gz TWNQHVJDESJIDF-DZGCQCFKSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001265083800 1108725389 /nfs/dbraw/zinc/72/53/89/1108725389.db2.gz TUQJODFLTOQQAL-UKRRQHHQSA-N 0 3 309.841 3.048 20 30 DGEDHN CC/C=C(/C)C(=O)NCCCN(CC)Cc1ccc(C#N)s1 ZINC001265101737 1108734612 /nfs/dbraw/zinc/73/46/12/1108734612.db2.gz XKIUPIPMWQQXDQ-AUWJEWJLSA-N 0 3 319.474 3.304 20 30 DGEDHN C#CCN(CCCNC(=O)c1cccc2c(C)c(C)[nH]c21)C1CC1 ZINC001265166243 1108758153 /nfs/dbraw/zinc/75/81/53/1108758153.db2.gz VULDJMZBDJRKQX-UHFFFAOYSA-N 0 3 323.440 3.002 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 ZINC001265177175 1108759065 /nfs/dbraw/zinc/75/90/65/1108759065.db2.gz KGFLSTGNPPKAQV-CTNGQTDRSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN(CCCNC(=O)C1[C@H]2CCCCCC[C@H]12)C1CC1 ZINC001265175581 1108759336 /nfs/dbraw/zinc/75/93/36/1108759336.db2.gz IKLWLLWFWSETNU-ROUUACIJSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C1CC1 ZINC001265175579 1108760119 /nfs/dbraw/zinc/76/01/19/1108760119.db2.gz IKLWLLWFWSETNU-BWTSREIZSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN(CCCNC(=O)c1sccc1C(C)C)C1CC1 ZINC001265183972 1108762880 /nfs/dbraw/zinc/76/28/80/1108762880.db2.gz LSCDEHIDVJEYTR-UHFFFAOYSA-N 0 3 304.459 3.089 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001265204002 1108774411 /nfs/dbraw/zinc/77/44/11/1108774411.db2.gz STDYEZKOMMYKMT-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001265212661 1108780366 /nfs/dbraw/zinc/78/03/66/1108780366.db2.gz DHYRWQPLKHLNAC-SJLPKXTDSA-N 0 3 310.441 3.050 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001265216082 1108782517 /nfs/dbraw/zinc/78/25/17/1108782517.db2.gz HYZJKANCBKZZCM-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001265216145 1108782549 /nfs/dbraw/zinc/78/25/49/1108782549.db2.gz IUHGOQRLMBBTEK-CQSZACIVSA-N 0 3 307.463 3.084 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001265230759 1108793170 /nfs/dbraw/zinc/79/31/70/1108793170.db2.gz LGAMNNHTBFYKCI-MJGOQNOKSA-N 0 3 312.457 3.174 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2ncoc2CC)C1 ZINC001265277097 1108801742 /nfs/dbraw/zinc/80/17/42/1108801742.db2.gz LXBSYPNNEAMNHP-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001265278498 1108803187 /nfs/dbraw/zinc/80/31/87/1108803187.db2.gz HEFXHDBQEKOGBK-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001265306199 1108817828 /nfs/dbraw/zinc/81/78/28/1108817828.db2.gz LCOFKAVTRBRSOV-AEFFLSMTSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cc[nH]c2C)CC1 ZINC001265337839 1108832579 /nfs/dbraw/zinc/83/25/79/1108832579.db2.gz XQQPNQYWSRFOOB-UHFFFAOYSA-N 0 3 303.450 3.216 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C2CC3(CC3)C2)CC1 ZINC001265341484 1108834333 /nfs/dbraw/zinc/83/43/33/1108834333.db2.gz RICBEHMZVJUPKL-UHFFFAOYSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001265408295 1108864906 /nfs/dbraw/zinc/86/49/06/1108864906.db2.gz DKFWPPYQPBQLLT-QXDIGNSFSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C)C1 ZINC001265411551 1108866290 /nfs/dbraw/zinc/86/62/90/1108866290.db2.gz NPUGWCRWASCUSW-XLAORIBOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001265443168 1108873302 /nfs/dbraw/zinc/87/33/02/1108873302.db2.gz RUFRRTLBUJHEDX-GUYCJALGSA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)CC)C1 ZINC001265523019 1108899459 /nfs/dbraw/zinc/89/94/59/1108899459.db2.gz GKGOYZMOKOJLIC-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001265595024 1108926005 /nfs/dbraw/zinc/92/60/05/1108926005.db2.gz QGKVZFFPEKWZEG-IRXDYDNUSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)[C@H](CC(=O)NC[C@@H]1CCCCN1CC=C(C)C)OCC ZINC001265648088 1108947135 /nfs/dbraw/zinc/94/71/35/1108947135.db2.gz XSORPQQXBBUEHE-ROUUACIJSA-N 0 3 322.493 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001265651937 1108951020 /nfs/dbraw/zinc/95/10/20/1108951020.db2.gz PNIAKEIRQHEWST-IBGZPJMESA-N 0 3 314.473 3.393 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1ccc(F)cc1F ZINC001265655325 1108952869 /nfs/dbraw/zinc/95/28/69/1108952869.db2.gz FLOCDXVBBMRIKK-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1cccc(F)c1F ZINC001265659667 1108955763 /nfs/dbraw/zinc/95/57/63/1108955763.db2.gz FOYPSQKMHYCGST-HNNXBMFYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCCC[C@H]1CNCCF)c1ccccc1 ZINC001265691326 1108967413 /nfs/dbraw/zinc/96/74/13/1108967413.db2.gz IQTIALHMPWROBF-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC(C2CC2)C2CC2)C1 ZINC001265708738 1108978854 /nfs/dbraw/zinc/97/88/54/1108978854.db2.gz SKXCILZXLBNDKC-QAPCUYQASA-N 0 3 316.489 3.053 20 30 DGEDHN CC(C)=CC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001265729645 1108984086 /nfs/dbraw/zinc/98/40/86/1108984086.db2.gz MKSKZKNMUMLIAZ-UHFFFAOYSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001265896042 1109036652 /nfs/dbraw/zinc/03/66/52/1109036652.db2.gz ZJHOQUISLKEZTP-ZDUSSCGKSA-N 0 3 310.800 3.136 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001265924711 1109043046 /nfs/dbraw/zinc/04/30/46/1109043046.db2.gz CTVWIPPZFLVFQN-ZFWWWQNUSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1cccnc1C ZINC001266069976 1109078996 /nfs/dbraw/zinc/07/89/96/1109078996.db2.gz JHBIFWAXDMFLTO-UHFFFAOYSA-N 0 3 317.477 3.321 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)C2CC=CC2)cc1 ZINC001266081862 1109083818 /nfs/dbraw/zinc/08/38/18/1109083818.db2.gz STAZQQPSDORSHE-UHFFFAOYSA-N 0 3 318.848 3.154 20 30 DGEDHN CC#CCN(CCCNC(=O)C/C=C/c1ccc(C)cc1)C1CC1 ZINC001266176687 1109116169 /nfs/dbraw/zinc/11/61/69/1109116169.db2.gz XWZSMBIJTARRNZ-FNORWQNLSA-N 0 3 324.468 3.392 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001266207868 1109127070 /nfs/dbraw/zinc/12/70/70/1109127070.db2.gz VIANRXLEAGYICF-CAOSSQGBSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cocc1C ZINC001266228083 1109132737 /nfs/dbraw/zinc/13/27/37/1109132737.db2.gz DQWFTQUHMTWLLR-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001280174678 1109178677 /nfs/dbraw/zinc/17/86/77/1109178677.db2.gz ZPJSWVKZOLIFAR-AWEZNQCLSA-N 0 3 300.874 3.393 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)Cc2occc2C)cc1 ZINC001280354854 1109189369 /nfs/dbraw/zinc/18/93/69/1109189369.db2.gz UUYUDSSDFCTTBO-INIZCTEOSA-N 0 3 324.424 3.121 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)Cc2occc2C)cc1 ZINC001280354855 1109189437 /nfs/dbraw/zinc/18/94/37/1109189437.db2.gz UUYUDSSDFCTTBO-MRXNPFEDSA-N 0 3 324.424 3.121 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C2CC2)C2CC2)cc1 ZINC001280354874 1109189500 /nfs/dbraw/zinc/18/95/00/1109189500.db2.gz VDTZOWYAAOMVJP-AWEZNQCLSA-N 0 3 310.441 3.023 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1Cl ZINC001316604451 1109223732 /nfs/dbraw/zinc/22/37/32/1109223732.db2.gz GPMBJLBPBGTPEX-CQSZACIVSA-N 0 3 306.837 3.453 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001280863453 1109265673 /nfs/dbraw/zinc/26/56/73/1109265673.db2.gz AHRBERNOPAPEOI-QGZVFWFLSA-N 0 3 314.473 3.156 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCCC(C)C)C2 ZINC001281088723 1109300700 /nfs/dbraw/zinc/30/07/00/1109300700.db2.gz VJPUMDPPTYLAET-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001281409633 1109347298 /nfs/dbraw/zinc/34/72/98/1109347298.db2.gz UTAGJFZDPAZJNN-HIFRSBDPSA-N 0 3 321.852 3.028 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001281553200 1109379071 /nfs/dbraw/zinc/37/90/71/1109379071.db2.gz OWCMDRWXCVNTTP-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCO[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001281555703 1109380078 /nfs/dbraw/zinc/38/00/78/1109380078.db2.gz HQAODWUFVFNTLM-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C(C)(C)C1 ZINC001281555701 1109380163 /nfs/dbraw/zinc/38/01/63/1109380163.db2.gz HQAODWUFVFNTLM-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CCc3ccccc3)CC2)C[C@H]1C ZINC001281682081 1109395833 /nfs/dbraw/zinc/39/58/33/1109395833.db2.gz GLMDOZIMLYMCAF-MJGOQNOKSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)C ZINC001281777035 1109406768 /nfs/dbraw/zinc/40/67/68/1109406768.db2.gz RQFJHMFOOFAUFV-KRWDZBQOSA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1CC[C@H](C)F ZINC001281777561 1109407289 /nfs/dbraw/zinc/40/72/89/1109407289.db2.gz VTXRUISXKMCJLP-MAUKXSAKSA-N 0 3 318.436 3.416 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1c2ccccc2CCN1CCC1CC1 ZINC001281777480 1109407376 /nfs/dbraw/zinc/40/73/76/1109407376.db2.gz VHMZPMBHNVTDGP-FQEVSTJZSA-N 0 3 324.468 3.162 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001282116650 1109453406 /nfs/dbraw/zinc/45/34/06/1109453406.db2.gz YOYNMQLVARUOAB-QTMMWEQMSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cccc(C(C)C)n1 ZINC001282170149 1109462044 /nfs/dbraw/zinc/46/20/44/1109462044.db2.gz YAAZUSBKTXUUTC-GJZGRUSLSA-N 0 3 317.477 3.400 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2cc(F)cc(F)c2)C1 ZINC001282185763 1109465610 /nfs/dbraw/zinc/46/56/10/1109465610.db2.gz QXBWUCGXSFRELD-CHWSQXEVSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccoc1CC ZINC001282295634 1109481002 /nfs/dbraw/zinc/48/10/02/1109481002.db2.gz JKDGCXGZSMORHF-UHFFFAOYSA-N 0 3 312.841 3.282 20 30 DGEDHN C=C(C)CCC(=O)N(C)CC(C)(C)CNCc1oc(C)nc1C ZINC001282306032 1109481656 /nfs/dbraw/zinc/48/16/56/1109481656.db2.gz DXMKFYZLFKVXQR-UHFFFAOYSA-N 0 3 321.465 3.222 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNCc1cnc(C)o1 ZINC001282313661 1109482879 /nfs/dbraw/zinc/48/28/79/1109482879.db2.gz NZGCXEUKWAHBJT-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)CCc1c(F)cccc1F ZINC001282390029 1109500844 /nfs/dbraw/zinc/50/08/44/1109500844.db2.gz VMBDMMKWQLTJQY-AWEZNQCLSA-N 0 3 324.415 3.300 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2ccccn2)CCCCC1 ZINC001282618710 1109537908 /nfs/dbraw/zinc/53/79/08/1109537908.db2.gz BHARKCXWWZBFIV-UHFFFAOYSA-N 0 3 315.461 3.347 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001282666525 1109548511 /nfs/dbraw/zinc/54/85/11/1109548511.db2.gz RMCKPFVABYDGEG-QZTJIDSGSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001282745381 1109562322 /nfs/dbraw/zinc/56/23/22/1109562322.db2.gz XVZZCCPYEZKIMV-BEFAXECRSA-N 0 3 300.446 3.225 20 30 DGEDHN Cc1ccc(C)c(CN2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)c1 ZINC001282799991 1109567137 /nfs/dbraw/zinc/56/71/37/1109567137.db2.gz HKDRJAZMTGCOPO-IBGZPJMESA-N 0 3 324.468 3.043 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(C)cc2)C(C)(C)C1 ZINC001282811605 1109568859 /nfs/dbraw/zinc/56/88/59/1109568859.db2.gz GLIFWHQNDDPKPL-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001282812487 1109569143 /nfs/dbraw/zinc/56/91/43/1109569143.db2.gz OCOUWWHXJXIPQQ-VQIMIIECSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2C2CC2)C1 ZINC001283066931 1109590578 /nfs/dbraw/zinc/59/05/78/1109590578.db2.gz JMUJWZQZGLERED-HJWJTTGWSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001283091930 1109593931 /nfs/dbraw/zinc/59/39/31/1109593931.db2.gz NOKKTLLUMYDOKY-KLHDSHLOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001283102324 1109594435 /nfs/dbraw/zinc/59/44/35/1109594435.db2.gz KQJHLNNPFPNPFF-JQFCIGGWSA-N 0 3 320.864 3.102 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2c(o1)CCCC2 ZINC001283184393 1109602302 /nfs/dbraw/zinc/60/23/02/1109602302.db2.gz AIRDPKRHDLBJSA-ZDUSSCGKSA-N 0 3 324.852 3.399 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC001283240707 1109606042 /nfs/dbraw/zinc/60/60/42/1109606042.db2.gz WWSMIRCPVJPVMG-OLZOCXBDSA-N 0 3 322.827 3.439 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC001283607844 1109660359 /nfs/dbraw/zinc/66/03/59/1109660359.db2.gz KNXCYAGKHIKCLZ-CABCVRRESA-N 0 3 320.864 3.497 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001283620217 1109661933 /nfs/dbraw/zinc/66/19/33/1109661933.db2.gz UZAJACAXAXGUNO-KRWDZBQOSA-N 0 3 314.473 3.157 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001283664900 1109668608 /nfs/dbraw/zinc/66/86/08/1109668608.db2.gz PNCCQUFGCNHQPE-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN CCCCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001284263511 1109766301 /nfs/dbraw/zinc/76/63/01/1109766301.db2.gz SZYPNLPNEUABRO-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1c(C)oc(C)c1C)C(C)C ZINC001284544570 1109808687 /nfs/dbraw/zinc/80/86/87/1109808687.db2.gz RRRVTYPDJBBKJF-UHFFFAOYSA-N 0 3 304.434 3.011 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CC2(C=C)CCCCC2)CC1 ZINC001284699326 1109843946 /nfs/dbraw/zinc/84/39/46/1109843946.db2.gz DNAOVEONURMXND-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001284700191 1109844061 /nfs/dbraw/zinc/84/40/61/1109844061.db2.gz PUZYJYZEIJYXGN-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@H]2C=CCCC2)c(F)c1 ZINC001285005280 1109891205 /nfs/dbraw/zinc/89/12/05/1109891205.db2.gz UVNKUNZWCDVAAR-HNNXBMFYSA-N 0 3 316.420 3.464 20 30 DGEDHN C[C@@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC001306932819 1111252190 /nfs/dbraw/zinc/25/21/90/1111252190.db2.gz ZOHAEUDFJJJJNS-MNOVXSKESA-N 0 3 308.407 3.203 20 30 DGEDHN C#CC[C@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001307872025 1111349685 /nfs/dbraw/zinc/34/96/85/1111349685.db2.gz JSSNLSKGOXHMBX-YOEHRIQHSA-N 0 3 316.832 3.181 20 30 DGEDHN C=CCN(CCOC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001308739995 1111468052 /nfs/dbraw/zinc/46/80/52/1111468052.db2.gz BCRVNBCWOSIBQS-UHFFFAOYSA-N 0 3 307.434 3.333 20 30 DGEDHN CCNc1ccccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC001308791940 1111475991 /nfs/dbraw/zinc/47/59/91/1111475991.db2.gz FTXJEVLUPZWLEJ-QGZVFWFLSA-N 0 3 322.412 3.038 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)[C@H](C)c1cccc(Cl)c1 ZINC001317479362 1111548264 /nfs/dbraw/zinc/54/82/64/1111548264.db2.gz DSLJULDVAPSQGQ-OAHLLOKOSA-N 0 3 320.864 3.499 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001317530031 1111651416 /nfs/dbraw/zinc/65/14/16/1111651416.db2.gz SCDQNAPWRAJCEZ-OALUTQOASA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001316991764 1111735784 /nfs/dbraw/zinc/73/57/84/1111735784.db2.gz KJSQMHFYMUJEQO-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1ccccc1Cl)C1CC1 ZINC001317011012 1111737820 /nfs/dbraw/zinc/73/78/20/1111737820.db2.gz MQPNBKIEEJCCBN-INIZCTEOSA-N 0 3 306.837 3.291 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cncc(F)c1 ZINC001316875198 1111787975 /nfs/dbraw/zinc/78/79/75/1111787975.db2.gz WFRKYRNQMZSVAC-YOEHRIQHSA-N 0 3 319.424 3.046 20 30 DGEDHN C[C@@H]1[C@H](NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000310218835 231112141 /nfs/dbraw/zinc/11/21/41/231112141.db2.gz WMPAWQDNYBZCMD-FOIQADDNSA-N 0 3 323.415 3.450 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000083406327 185222279 /nfs/dbraw/zinc/22/22/79/185222279.db2.gz FUAOKHMFZZZYFX-DNVCBOLYSA-N 0 3 314.429 3.279 20 30 DGEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)c1ccc(C#N)cc1F ZINC000328753923 231331863 /nfs/dbraw/zinc/33/18/63/231331863.db2.gz NXEXHHGZLMILQW-XHDPSFHLSA-N 0 3 301.365 3.390 20 30 DGEDHN CC[C@@H](Cc1ccccc1Br)NC(=O)C(C)C#N ZINC000347988872 529545972 /nfs/dbraw/zinc/54/59/72/529545972.db2.gz AOBDRACWCLHMNB-PWSUYJOCSA-N 0 3 309.207 3.046 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000341214214 529648726 /nfs/dbraw/zinc/64/87/26/529648726.db2.gz BUHRQEUDGYRQQF-ZVZYQTTQSA-N 0 3 301.434 3.170 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)ccc1O ZINC000092567923 185326433 /nfs/dbraw/zinc/32/64/33/185326433.db2.gz VSUCHPIWAODCNT-UHFFFAOYSA-N 0 3 310.397 3.221 20 30 DGEDHN C=CCCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000279150340 214660354 /nfs/dbraw/zinc/66/03/54/214660354.db2.gz BOHZUAOVLIWGMU-UHFFFAOYSA-N 0 3 305.422 3.023 20 30 DGEDHN CCc1ccc([C@H](COC)NCCCC2(C#N)CCOCC2)o1 ZINC000281443106 529725762 /nfs/dbraw/zinc/72/57/62/529725762.db2.gz UECIOEVZAVVRIQ-INIZCTEOSA-N 0 3 320.433 3.220 20 30 DGEDHN C=C(C)CN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000103480520 432009850 /nfs/dbraw/zinc/00/98/50/432009850.db2.gz ADLFOVGCQKVPSL-INIZCTEOSA-N 0 3 301.434 3.405 20 30 DGEDHN CNCc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1 ZINC000415949592 530007478 /nfs/dbraw/zinc/00/74/78/530007478.db2.gz ZRNVLKPRYNAJGC-UHFFFAOYSA-N 0 3 302.422 3.200 20 30 DGEDHN COc1ccccc1C(C)(C)NCCOc1ccc(C#N)cc1 ZINC000103484477 432011241 /nfs/dbraw/zinc/01/12/41/432011241.db2.gz QJOBHZDCVUNYCN-UHFFFAOYSA-N 0 3 310.397 3.471 20 30 DGEDHN CN(CCCOc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000066376279 432015877 /nfs/dbraw/zinc/01/58/77/432015877.db2.gz WALUKSUKYJFCLS-UHFFFAOYSA-N 0 3 324.380 3.188 20 30 DGEDHN CC(C)[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1CCCCC1 ZINC000104242142 432015755 /nfs/dbraw/zinc/01/57/55/432015755.db2.gz DCXWEPPWCKQWFN-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCc1cc(CN(C)C[C@H]2CCCC[C@@H]2O)cc(OC)c1O ZINC000272660961 210065499 /nfs/dbraw/zinc/06/54/99/210065499.db2.gz RLOQBRBLUKSDFB-SJORKVTESA-N 0 3 319.445 3.112 20 30 DGEDHN C=CCSCCNCc1ccc(OC)c(OC(F)F)c1 ZINC000105462589 432018619 /nfs/dbraw/zinc/01/86/19/432018619.db2.gz XBZLCZLMHXZWJS-UHFFFAOYSA-N 0 3 303.374 3.305 20 30 DGEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCC(F)(F)CC1 ZINC000286940272 219234977 /nfs/dbraw/zinc/23/49/77/219234977.db2.gz LWLHWCAEAVVXGF-UHFFFAOYSA-N 0 3 307.344 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000171639722 197959213 /nfs/dbraw/zinc/95/92/13/197959213.db2.gz UVJZTFVTLTYSNL-UHFFFAOYSA-N 0 3 309.360 3.396 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000172111955 198040835 /nfs/dbraw/zinc/04/08/35/198040835.db2.gz GDZUGPMTFLTTNT-UHFFFAOYSA-N 0 3 323.392 3.150 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc([C@H](C)O)cc2)cc1 ZINC000172115434 198041744 /nfs/dbraw/zinc/04/17/44/198041744.db2.gz XDSIDQNSSUAWRR-INIZCTEOSA-N 0 3 309.409 3.432 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCCN(Cc3cccs3)C2)o1 ZINC000174325092 198320236 /nfs/dbraw/zinc/32/02/36/198320236.db2.gz MUTFHGOYSXHRLC-CQSZACIVSA-N 0 3 315.442 3.215 20 30 DGEDHN Cc1cccc2c1CN(CCC(=O)Nc1ccccc1C#N)CC2 ZINC000277023655 213247132 /nfs/dbraw/zinc/24/71/32/213247132.db2.gz APWLEYAOXSJWFL-UHFFFAOYSA-N 0 3 319.408 3.254 20 30 DGEDHN N#CC1(CCCN2CCC(C(F)(F)F)CC2)CCOCC1 ZINC000337134334 283043826 /nfs/dbraw/zinc/04/38/26/283043826.db2.gz BGALMPBZQSDKTK-UHFFFAOYSA-N 0 3 304.356 3.361 20 30 DGEDHN N#CC1(CCN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CCCCC1 ZINC000411718051 283045563 /nfs/dbraw/zinc/04/55/63/283045563.db2.gz JZKHIPUSDBTZMF-UONOGXRCSA-N 0 3 318.383 3.343 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C1 ZINC000328766129 283057937 /nfs/dbraw/zinc/05/79/37/283057937.db2.gz PJQKCAOUKLDCTL-IJLUTSLNSA-N 0 3 312.339 3.300 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000297613921 283058657 /nfs/dbraw/zinc/05/86/57/283058657.db2.gz KVBOZIKNQYKSKL-CVEARBPZSA-N 0 3 306.413 3.049 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC000294757066 283058937 /nfs/dbraw/zinc/05/89/37/283058937.db2.gz YCAJAEDCOWAOPF-AGIUHOORSA-N 0 3 312.339 3.231 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC000294336871 283067340 /nfs/dbraw/zinc/06/73/40/283067340.db2.gz AKLHVAUJKVLCDU-AAEUAGOBSA-N 0 3 312.339 3.231 20 30 DGEDHN N#Cc1ccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)s1 ZINC000487490394 283128253 /nfs/dbraw/zinc/12/82/53/283128253.db2.gz WTJBSZGGXBPLPH-CQSZACIVSA-N 0 3 323.421 3.245 20 30 DGEDHN N#Cc1ccc(CN2CCNC[C@@H]2c2ccccc2Cl)cc1 ZINC000262298580 283142037 /nfs/dbraw/zinc/14/20/37/283142037.db2.gz XEMAOWUJWMOYPU-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN CCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000270805786 283189023 /nfs/dbraw/zinc/18/90/23/283189023.db2.gz VMDOQWAINVJKBJ-AWEZNQCLSA-N 0 3 305.397 3.193 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000178118107 198819230 /nfs/dbraw/zinc/81/92/30/198819230.db2.gz LCXGKPMVXUMPGZ-CQSZACIVSA-N 0 3 309.365 3.278 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000133540056 432066409 /nfs/dbraw/zinc/06/64/09/432066409.db2.gz ULNKLMZKTPFCJZ-RTBURBONSA-N 0 3 319.408 3.423 20 30 DGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(F)nc3)CC2)cc1 ZINC000180317980 199144849 /nfs/dbraw/zinc/14/48/49/199144849.db2.gz DVUJVMZTTGYCKC-UHFFFAOYSA-N 0 3 310.376 3.169 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000181027485 199242811 /nfs/dbraw/zinc/24/28/11/199242811.db2.gz NLDJSKKGPJRPIS-ZDUSSCGKSA-N 0 3 301.777 3.173 20 30 DGEDHN CC1CCC2(CC1)OC[C@@H](CNCc1ccc(C#N)s1)O2 ZINC000181085595 199250707 /nfs/dbraw/zinc/25/07/07/199250707.db2.gz ODVZWXLJAWPMPG-MFOWVQHXSA-N 0 3 306.431 3.031 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@H]1n1cccn1 ZINC000449657180 240349428 /nfs/dbraw/zinc/34/94/28/240349428.db2.gz NYBNQFXEBXGRCI-RCCFBDPRSA-N 0 3 324.428 3.042 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000424130639 237881801 /nfs/dbraw/zinc/88/18/01/237881801.db2.gz UBYVEJMTQRCKNS-CQSZACIVSA-N 0 3 319.474 3.087 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(CCCCc3ccccc3)C2)nc1 ZINC000428806787 238031700 /nfs/dbraw/zinc/03/17/00/238031700.db2.gz KMEVSALXJMJCNV-LJQANCHMSA-N 0 3 321.424 3.429 20 30 DGEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429584172 238056255 /nfs/dbraw/zinc/05/62/55/238056255.db2.gz DCTYFSHACWPYRJ-BXUZGUMPSA-N 0 3 305.809 3.271 20 30 DGEDHN CCN(CC)[C@@H](CNCc1cc(C#N)n(C)c1)c1ccsc1 ZINC000190758865 200582663 /nfs/dbraw/zinc/58/26/63/200582663.db2.gz MHTPVPCOMRKOME-KRWDZBQOSA-N 0 3 316.474 3.131 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccc(F)cc1 ZINC000433114465 238147212 /nfs/dbraw/zinc/14/72/12/238147212.db2.gz NMHRTMTXFQJAFT-QGZVFWFLSA-N 0 3 310.372 3.257 20 30 DGEDHN CN(C)[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 ZINC000433383322 238158225 /nfs/dbraw/zinc/15/82/25/238158225.db2.gz HGZVEOJTYQGMTA-QZTJIDSGSA-N 0 3 313.445 3.268 20 30 DGEDHN C=CCc1cc(CNCC2([C@H](O)C(C)C)CC2)cc(OC)c1O ZINC000271956696 209338192 /nfs/dbraw/zinc/33/81/92/209338192.db2.gz FGMMKHPIFDXVJA-GOSISDBHSA-N 0 3 319.445 3.016 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)C1CCCCC1 ZINC000434861316 238249342 /nfs/dbraw/zinc/24/93/42/238249342.db2.gz MFVZMQMYLCJNER-IUODEOHRSA-N 0 3 317.458 3.283 20 30 DGEDHN CCC(CC)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000193247174 201013616 /nfs/dbraw/zinc/01/36/16/201013616.db2.gz AEMVNXZOMPEHOK-JTQLQIEISA-N 0 3 305.447 3.214 20 30 DGEDHN CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189833216 432096119 /nfs/dbraw/zinc/09/61/19/432096119.db2.gz OOYMINZZRDDSGW-WMLDXEAASA-N 0 3 309.417 3.110 20 30 DGEDHN CCOC(=O)[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135095657 432097819 /nfs/dbraw/zinc/09/78/19/432097819.db2.gz NLJQLGSFVKJVAO-MRXNPFEDSA-N 0 3 314.429 3.263 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCCOc2cccc(Br)c2)C1 ZINC000442780234 239122328 /nfs/dbraw/zinc/12/23/28/239122328.db2.gz MNZJCKFEUYPOIE-YPMHNXCESA-N 0 3 309.207 3.110 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000442850443 239137482 /nfs/dbraw/zinc/13/74/82/239137482.db2.gz PLHHLWMENFKOIL-MWLCHTKSSA-N 0 3 300.189 3.049 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000449182185 240055684 /nfs/dbraw/zinc/05/56/84/240055684.db2.gz BAMJNVZLWLCMEK-OLZOCXBDSA-N 0 3 318.425 3.276 20 30 DGEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450866164 240903023 /nfs/dbraw/zinc/90/30/23/240903023.db2.gz SYUQMRBTVHDYIW-BRWVUGGUSA-N 0 3 300.377 3.135 20 30 DGEDHN N#Cc1cc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccc1F ZINC000451626393 241194490 /nfs/dbraw/zinc/19/44/90/241194490.db2.gz KIHQTXBELJRGGG-AEFFLSMTSA-N 0 3 314.404 3.478 20 30 DGEDHN CN(CC1(C#N)CCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452115968 241320610 /nfs/dbraw/zinc/32/06/10/241320610.db2.gz LIXKRRAUVMWAEL-UHFFFAOYSA-N 0 3 303.372 3.029 20 30 DGEDHN C=CCC[C@@H](O)CN(CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451974179 241289488 /nfs/dbraw/zinc/28/94/88/241289488.db2.gz IQHIDDQUTDWGIG-CQSZACIVSA-N 0 3 315.816 3.255 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000268611422 432110601 /nfs/dbraw/zinc/11/06/01/432110601.db2.gz ZOAZUFNBUSFDTH-HOTGVXAUSA-N 0 3 305.418 3.168 20 30 DGEDHN CO[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)CC1(C)C ZINC000456156182 242363652 /nfs/dbraw/zinc/36/36/52/242363652.db2.gz YGMQPSWEKDQNPS-SJORKVTESA-N 0 3 314.429 3.032 20 30 DGEDHN CN(C)[C@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000455935113 242315333 /nfs/dbraw/zinc/31/53/33/242315333.db2.gz AUMYKIFJPQDLKQ-GOSISDBHSA-N 0 3 322.412 3.177 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000455980409 242321314 /nfs/dbraw/zinc/32/13/14/242321314.db2.gz FWKZWRVQCXMWNN-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000275205182 212194259 /nfs/dbraw/zinc/19/42/59/212194259.db2.gz BNSWFLGYXYOAIX-MOPGFXCFSA-N 0 3 312.457 3.433 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(CN(C)C)c(C)c1)OCC ZINC000458279659 243017669 /nfs/dbraw/zinc/01/76/69/243017669.db2.gz KITUBYFMZWDKOE-QGZVFWFLSA-N 0 3 304.434 3.366 20 30 DGEDHN C=C(C)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000459004524 243224303 /nfs/dbraw/zinc/22/43/03/243224303.db2.gz PUFCOECSTKRHEN-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCC1 ZINC000459048907 243236011 /nfs/dbraw/zinc/23/60/11/243236011.db2.gz KEIUPDXZNICHLS-CVEARBPZSA-N 0 3 305.466 3.001 20 30 DGEDHN CC(C)[C@@H](NCC#Cc1ccc(F)cc1)C1(CO)CCCC1 ZINC000459520141 243399807 /nfs/dbraw/zinc/39/98/07/243399807.db2.gz CLPFVRARPJVYTA-GOSISDBHSA-N 0 3 303.421 3.344 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1Br)C1CCOCC1 ZINC000181230502 432118253 /nfs/dbraw/zinc/11/82/53/432118253.db2.gz QJHCUCBLKYOEIG-NSHDSACASA-N 0 3 323.234 3.225 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)CC(C)(C)C2)CC1 ZINC000468087842 244022032 /nfs/dbraw/zinc/02/20/32/244022032.db2.gz QZHDWMFBNPFYOU-UHFFFAOYSA-N 0 3 307.482 3.105 20 30 DGEDHN CCC1(CC)CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000469736374 244120774 /nfs/dbraw/zinc/12/07/74/244120774.db2.gz JAQHCNMQFIYJJP-QGZVFWFLSA-N 0 3 307.482 3.333 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cscc1C)C(C)C ZINC000487640211 245087031 /nfs/dbraw/zinc/08/70/31/245087031.db2.gz NDTYEAGFCRYKRI-INIZCTEOSA-N 0 3 306.475 3.485 20 30 DGEDHN COc1ccc([C@@H](CCO)NCc2ccc(C#N)c(C)c2)cc1 ZINC000488136549 245152986 /nfs/dbraw/zinc/15/29/86/245152986.db2.gz RVQAGXOGPONMGT-LJQANCHMSA-N 0 3 310.397 3.089 20 30 DGEDHN C[C@H]1C[C@@H](Nc2ccc(Br)cc2C#N)CN1C1CC1 ZINC000123034598 284230944 /nfs/dbraw/zinc/23/09/44/284230944.db2.gz SJNKQPRGLUIUIH-GXFFZTMASA-N 0 3 320.234 3.358 20 30 DGEDHN CO[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1OC ZINC000488040818 245139424 /nfs/dbraw/zinc/13/94/24/245139424.db2.gz FDSYNPSKKUJRPA-WOJBJXKFSA-N 0 3 322.408 3.071 20 30 DGEDHN C=CCCCCCN1CCCN(c2nccc(OCC)n2)CC1 ZINC000488196913 245160021 /nfs/dbraw/zinc/16/00/21/245160021.db2.gz NGGGZNYSWWCFOR-UHFFFAOYSA-N 0 3 318.465 3.134 20 30 DGEDHN CCC1CCC(N(CCO)Cc2cccc(C#N)c2F)CC1 ZINC000488214714 245162165 /nfs/dbraw/zinc/16/21/65/245162165.db2.gz VBHGLFYJFOGADE-UHFFFAOYSA-N 0 3 304.409 3.460 20 30 DGEDHN COc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1C ZINC000489225931 245283608 /nfs/dbraw/zinc/28/36/08/245283608.db2.gz SMVVQHIKJFPDPM-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000490253915 245391444 /nfs/dbraw/zinc/39/14/44/245391444.db2.gz SHYHIJLNSRCMDP-SZMVWBNQSA-N 0 3 300.446 3.335 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)ccn1 ZINC000288475241 220165836 /nfs/dbraw/zinc/16/58/36/220165836.db2.gz QQIUDKGPBZXORR-QAPCUYQASA-N 0 3 306.413 3.276 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(Br)c(F)c1 ZINC000494274499 246130211 /nfs/dbraw/zinc/13/02/11/246130211.db2.gz QLZHLKKHKJZYQM-LBPRGKRZSA-N 0 3 316.214 3.347 20 30 DGEDHN CN(C)CCOc1ccc(NCc2ccc(C#N)s2)cc1 ZINC000135692857 432134509 /nfs/dbraw/zinc/13/45/09/432134509.db2.gz STLRDRINTBPFGZ-UHFFFAOYSA-N 0 3 301.415 3.172 20 30 DGEDHN C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000495668610 246293491 /nfs/dbraw/zinc/29/34/91/246293491.db2.gz GPEDQSLKGPRUDB-LLVKDONJSA-N 0 3 309.435 3.013 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccccc1F)C(C)C ZINC000496013056 246341615 /nfs/dbraw/zinc/34/16/15/246341615.db2.gz GQCXDRUBDOPOCQ-GOSISDBHSA-N 0 3 318.436 3.183 20 30 DGEDHN Cc1cc(CN[C@@H](COC(N)=O)Cc2ccccc2)ccc1C#N ZINC000496236808 246369238 /nfs/dbraw/zinc/36/92/38/246369238.db2.gz MEASBUXQQIITAG-GOSISDBHSA-N 0 3 323.396 3.077 20 30 DGEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000496178200 246363245 /nfs/dbraw/zinc/36/32/45/246363245.db2.gz KUHGIKDDZWNKMG-INIZCTEOSA-N 0 3 309.454 3.209 20 30 DGEDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CCC1 ZINC000496629179 246419136 /nfs/dbraw/zinc/41/91/36/246419136.db2.gz YRGHVQFCISTEIX-LSDHHAIUSA-N 0 3 321.465 3.305 20 30 DGEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000286306677 335034694 /nfs/dbraw/zinc/03/46/94/335034694.db2.gz XIJDXTJLOSHFHX-RHSMWYFYSA-N 0 3 320.392 3.433 20 30 DGEDHN COc1ccc(C[C@H](C)CNCc2ccc(C#N)o2)cc1OC ZINC000136183629 432147248 /nfs/dbraw/zinc/14/72/48/432147248.db2.gz WJTCYRYTGUQXAM-ZDUSSCGKSA-N 0 3 314.385 3.137 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@](C)(O)c2ccsc2)cc1 ZINC000269074018 207222144 /nfs/dbraw/zinc/22/21/44/207222144.db2.gz XRWOOFCQTKTVGN-KDOFPFPSSA-N 0 3 315.438 3.318 20 30 DGEDHN CC(C)N1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269162878 207284926 /nfs/dbraw/zinc/28/49/26/207284926.db2.gz VDYNHZCWQLOUKJ-UHFFFAOYSA-N 0 3 320.824 3.160 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419329723 284995853 /nfs/dbraw/zinc/99/58/53/284995853.db2.gz BJZIVWFGQZYGED-LSDHHAIUSA-N 0 3 313.445 3.223 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000360632245 285039455 /nfs/dbraw/zinc/03/94/55/285039455.db2.gz IGXXZSGCZQEEMP-SJORKVTESA-N 0 3 319.493 3.287 20 30 DGEDHN COc1ccccc1[C@H](CN[C@@H]1CC[C@@H](C#N)C1)OC(C)C ZINC000442839882 533014021 /nfs/dbraw/zinc/01/40/21/533014021.db2.gz YTADYBQXPQNEIL-RKVPGOIHSA-N 0 3 302.418 3.443 20 30 DGEDHN COc1cccc([C@H](CNc2cccc(C#N)n2)N2CCCC2)c1 ZINC000270033026 208089099 /nfs/dbraw/zinc/08/90/99/208089099.db2.gz HJXLNJRHHXIMTG-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN COc1cc(N[C@@H]2CCCN(CCCCC#N)C2)cc(OC)c1 ZINC000155194783 533038882 /nfs/dbraw/zinc/03/88/82/533038882.db2.gz CJXJWBBETBHQHC-OAHLLOKOSA-N 0 3 317.433 3.274 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000337838480 253181716 /nfs/dbraw/zinc/18/17/16/253181716.db2.gz UVNMTTMVTPFYAN-HNNXBMFYSA-N 0 3 321.424 3.117 20 30 DGEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCC2)Cc1ccccc1 ZINC000338337461 253268072 /nfs/dbraw/zinc/26/80/72/253268072.db2.gz IYFHPZDHCOPRHZ-GOSISDBHSA-N 0 3 320.440 3.027 20 30 DGEDHN Cc1cc(Cl)c2ncc(C#N)c(N(C)CCN(C)C)c2c1 ZINC000338485266 253296649 /nfs/dbraw/zinc/29/66/49/253296649.db2.gz RQHPNZJVYHEXLE-UHFFFAOYSA-N 0 3 302.809 3.066 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@@H](O)C3)c2)c1 ZINC000158781428 197301378 /nfs/dbraw/zinc/30/13/78/197301378.db2.gz UJUKHPQOYNMOLT-LJQANCHMSA-N 0 3 322.408 3.094 20 30 DGEDHN COCC1(C#N)CCN(CCCOc2ccc(C)c(C)c2)CC1 ZINC000341996904 533111378 /nfs/dbraw/zinc/11/13/78/533111378.db2.gz SUVKZBDAHVEANQ-UHFFFAOYSA-N 0 3 316.445 3.325 20 30 DGEDHN CC(C#N)C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC000336723843 533114668 /nfs/dbraw/zinc/11/46/68/533114668.db2.gz WPZVQENLXXROLG-HNNXBMFYSA-N 0 3 308.381 3.084 20 30 DGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cnccc1C#N ZINC000342660372 254028119 /nfs/dbraw/zinc/02/81/19/254028119.db2.gz JJZLZEVHAXBSPJ-UHFFFAOYSA-N 0 3 320.396 3.110 20 30 DGEDHN CC[C@H]1CN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000342832759 254061628 /nfs/dbraw/zinc/06/16/28/254061628.db2.gz VCOYZJOHJVFZBU-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1nsc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000342832950 254061689 /nfs/dbraw/zinc/06/16/89/254061689.db2.gz WIEOTZLVUSAYEX-BLLLJJGKSA-N 0 3 312.442 3.256 20 30 DGEDHN COc1ccc(OCCCNCc2ccc(C#N)cc2F)cc1 ZINC000343714379 254180258 /nfs/dbraw/zinc/18/02/58/254180258.db2.gz MZOMOPGTDGTRSB-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)CC(C)(C)C1 ZINC000344032890 254215831 /nfs/dbraw/zinc/21/58/31/254215831.db2.gz FBTLZNXWYYFTGT-CQSZACIVSA-N 0 3 302.418 3.314 20 30 DGEDHN Cc1ncsc1CCN(C)CCOCc1ccc(C#N)cc1 ZINC000344064990 254219680 /nfs/dbraw/zinc/21/96/80/254219680.db2.gz FKWQJHVPEIXJKX-UHFFFAOYSA-N 0 3 315.442 3.014 20 30 DGEDHN COCCNc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000344175754 254235329 /nfs/dbraw/zinc/23/53/29/254235329.db2.gz STOGJAHFRRFROG-HNNXBMFYSA-N 0 3 309.413 3.467 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000344454349 254272791 /nfs/dbraw/zinc/27/27/91/254272791.db2.gz VVILPWJCKDXMKB-QGZVFWFLSA-N 0 3 309.388 3.456 20 30 DGEDHN C[C@@H](CCc1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000345108379 254331618 /nfs/dbraw/zinc/33/16/18/254331618.db2.gz SHLPFLAYIYCPQD-KRWDZBQOSA-N 0 3 320.440 3.097 20 30 DGEDHN CN(CCNCc1ccc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000344714821 254298782 /nfs/dbraw/zinc/29/87/82/254298782.db2.gz GHJNUPLRSSNLSZ-UHFFFAOYSA-N 0 3 315.367 3.058 20 30 DGEDHN CO[C@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000344727502 254300035 /nfs/dbraw/zinc/30/00/35/254300035.db2.gz SRXYAGNHUGJLBY-QGZVFWFLSA-N 0 3 302.324 3.314 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000345352089 254356109 /nfs/dbraw/zinc/35/61/09/254356109.db2.gz JRJJKYZVVBOPKQ-QGZVFWFLSA-N 0 3 308.429 3.155 20 30 DGEDHN COc1ccc(-c2ccc(CNC(=O)C(C)C#N)s2)cc1 ZINC000352323989 533181626 /nfs/dbraw/zinc/18/16/26/533181626.db2.gz NJTFXCHUPASWLK-NSHDSACASA-N 0 3 300.383 3.200 20 30 DGEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000271583682 209033656 /nfs/dbraw/zinc/03/36/56/209033656.db2.gz VRVPBHCWSBWCGB-SJKOYZFVSA-N 0 3 316.426 3.494 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000289730379 221184461 /nfs/dbraw/zinc/18/44/61/221184461.db2.gz IZDGQGCOPMYQAG-MRXNPFEDSA-N 0 3 302.418 3.346 20 30 DGEDHN COc1cc(CN2CCCCC[C@H]2C[C@H](C)O)ccc1C#N ZINC000289861073 221274557 /nfs/dbraw/zinc/27/45/57/221274557.db2.gz VJMCHHPMKWTHPM-YOEHRIQHSA-N 0 3 302.418 3.082 20 30 DGEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@@H]2C1 ZINC000451694293 285324001 /nfs/dbraw/zinc/32/40/01/285324001.db2.gz KTBXSCRPZLBEON-JFIYKMOQSA-N 0 3 303.833 3.174 20 30 DGEDHN C#Cc1cccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000496320608 533344611 /nfs/dbraw/zinc/34/46/11/533344611.db2.gz FVMHOPDDCRUGAA-OAHLLOKOSA-N 0 3 320.392 3.475 20 30 DGEDHN C[C@@H](C1CCC1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000357038206 533385338 /nfs/dbraw/zinc/38/53/38/533385338.db2.gz MSBPYEPUKXCCJH-ZDUSSCGKSA-N 0 3 317.458 3.361 20 30 DGEDHN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)C1CCCCC1 ZINC000434861315 533545103 /nfs/dbraw/zinc/54/51/03/533545103.db2.gz MFVZMQMYLCJNER-DOMZBBRYSA-N 0 3 317.458 3.283 20 30 DGEDHN COc1ccc(CN2CCSC3(CCC3)CC2)cc1C#N ZINC000411863720 533564794 /nfs/dbraw/zinc/56/47/94/533564794.db2.gz CMWNHTATXFKIOS-UHFFFAOYSA-N 0 3 302.443 3.428 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000338785547 285874738 /nfs/dbraw/zinc/87/47/38/285874738.db2.gz BXYMALMLEFRHNO-SJORKVTESA-N 0 3 312.413 3.452 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397211 400085441 /nfs/dbraw/zinc/08/54/41/400085441.db2.gz XOMBCGIBPYCTHJ-MRXNPFEDSA-N 0 3 301.434 3.005 20 30 DGEDHN COc1ccc(OC)c([C@@H](C)NCCc2ccc(C#N)cc2)c1 ZINC000595059013 400094038 /nfs/dbraw/zinc/09/40/38/400094038.db2.gz FGDIYPHBLCVUGP-CQSZACIVSA-N 0 3 310.397 3.469 20 30 DGEDHN C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)(C)C1 ZINC000584760408 400099125 /nfs/dbraw/zinc/09/91/25/400099125.db2.gz ORXBWTIBGCKFSY-WMLDXEAASA-N 0 3 311.429 3.174 20 30 DGEDHN CCO[C@@H]1COC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000584767229 400101042 /nfs/dbraw/zinc/10/10/42/400101042.db2.gz CTGJRMGVBIKKPW-WOJBJXKFSA-N 0 3 322.408 3.119 20 30 DGEDHN C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1F ZINC000595080302 400101503 /nfs/dbraw/zinc/10/15/03/400101503.db2.gz JQIPNIVYRHNDNP-XHDPSFHLSA-N 0 3 314.335 3.491 20 30 DGEDHN CC[C@H](CCc1ccccc1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000600604546 400105613 /nfs/dbraw/zinc/10/56/13/400105613.db2.gz CHOKLNFQROJJEI-MOPGFXCFSA-N 0 3 321.424 3.086 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ccc(F)c(F)c1)CC2 ZINC000584809147 400107177 /nfs/dbraw/zinc/10/71/77/400107177.db2.gz DDFCPTYBGRRZOV-SFHVURJKSA-N 0 3 314.335 3.492 20 30 DGEDHN CCN1C[C@@H](CN(C)Cc2ccc(C#N)cc2)Oc2ccccc21 ZINC000016423444 400173055 /nfs/dbraw/zinc/17/30/55/400173055.db2.gz VGCFUXYSQWJFOD-GOSISDBHSA-N 0 3 321.424 3.278 20 30 DGEDHN C[C@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000609739428 400188597 /nfs/dbraw/zinc/18/85/97/400188597.db2.gz ISBJXLWERYOYHL-GOSISDBHSA-N 0 3 319.452 3.480 20 30 DGEDHN N#Cc1ccc(CCN(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000595296252 400120511 /nfs/dbraw/zinc/12/05/11/400120511.db2.gz YPAJDRDSZOYJKF-IBGZPJMESA-N 0 3 310.397 3.375 20 30 DGEDHN N#C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000595312981 400124892 /nfs/dbraw/zinc/12/48/92/400124892.db2.gz QNFSOOZQXFQYIO-SJORKVTESA-N 0 3 303.837 3.465 20 30 DGEDHN CC(C)(CCN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000609676484 400186391 /nfs/dbraw/zinc/18/63/91/400186391.db2.gz FNUXIVJGQJAMJB-SFHVURJKSA-N 0 3 321.424 3.042 20 30 DGEDHN N#Cc1ccc(CCN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000595397229 400141034 /nfs/dbraw/zinc/14/10/34/400141034.db2.gz OYDIUORXJQWRGR-NRFANRHFSA-N 0 3 318.420 3.275 20 30 DGEDHN CC[C@@H](C)[C@H](C)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000609204471 400150158 /nfs/dbraw/zinc/15/01/58/400150158.db2.gz QSCXXVQRMULGDN-CABCVRRESA-N 0 3 305.466 3.228 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000067209041 400152761 /nfs/dbraw/zinc/15/27/61/400152761.db2.gz JJAMXDMBSHSVKM-FQEVSTJZSA-N 0 3 324.468 3.379 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000067209044 400152842 /nfs/dbraw/zinc/15/28/42/400152842.db2.gz JJAMXDMBSHSVKM-HXUWFJFHSA-N 0 3 324.468 3.379 20 30 DGEDHN CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000586776222 400153461 /nfs/dbraw/zinc/15/34/61/400153461.db2.gz KYJGDPVWVHQDBK-MRXNPFEDSA-N 0 3 311.385 3.211 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC2(CCC2)CC1 ZINC000586782979 400154652 /nfs/dbraw/zinc/15/46/52/400154652.db2.gz FAHPKLRXVGACQF-UHFFFAOYSA-N 0 3 300.402 3.212 20 30 DGEDHN C=C(C)CN1CCC(Nc2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610277485 400231950 /nfs/dbraw/zinc/23/19/50/400231950.db2.gz OONLUFZRBDKRLE-UHFFFAOYSA-N 0 3 320.440 3.289 20 30 DGEDHN C=CCC1(NCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CCCC1 ZINC000595780427 400256551 /nfs/dbraw/zinc/25/65/51/400256551.db2.gz RRLDFPIIUQQBSQ-UHFFFAOYSA-N 0 3 318.417 3.079 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H]2C[C@H](C)O)ccc1OC ZINC000093483354 400248011 /nfs/dbraw/zinc/24/80/11/400248011.db2.gz ZYHHIOXUMJOQAA-RDJZCZTQSA-N 0 3 319.445 3.385 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000022806462 400205165 /nfs/dbraw/zinc/20/51/65/400205165.db2.gz HIOZYCZRULVEOL-UHFFFAOYSA-N 0 3 305.425 3.266 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000595609995 400205171 /nfs/dbraw/zinc/20/51/71/400205171.db2.gz RKKSHCRQNQPBAO-FUHWJXTLSA-N 0 3 324.424 3.205 20 30 DGEDHN N#CCCCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000588275894 400207176 /nfs/dbraw/zinc/20/71/76/400207176.db2.gz CCSWSBOGCKSJQT-GOSISDBHSA-N 0 3 313.445 3.414 20 30 DGEDHN CC(C)(NCCOCC(F)(F)C(F)F)c1cccc(C#N)c1 ZINC000595639083 400215478 /nfs/dbraw/zinc/21/54/78/400215478.db2.gz GTEJPXLWGMOYQM-UHFFFAOYSA-N 0 3 318.314 3.300 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N1CCN(C)[C@H](C(C)C)C1 ZINC000616999841 400266800 /nfs/dbraw/zinc/26/68/00/400266800.db2.gz CCTNFILJHGQRHX-KRWDZBQOSA-N 0 3 308.429 3.191 20 30 DGEDHN CN(C)[C@H](CNc1ncc(C#N)cc1Cl)c1cccc(F)c1 ZINC000068659152 400277630 /nfs/dbraw/zinc/27/76/30/400277630.db2.gz AJLYQBPKPWVCAV-OAHLLOKOSA-N 0 3 318.783 3.461 20 30 DGEDHN CCN1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C#N)c1 ZINC000596121420 400322669 /nfs/dbraw/zinc/32/26/69/400322669.db2.gz XDHUOKSHCOKBGC-HNNXBMFYSA-N 0 3 302.378 3.061 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@@H]1CC1CCC1 ZINC000595867748 400283917 /nfs/dbraw/zinc/28/39/17/400283917.db2.gz PZUDKPHIPCLUAB-AEFFLSMTSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)CCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000097493250 400287272 /nfs/dbraw/zinc/28/72/72/400287272.db2.gz QLCNVYPMAWPFEV-UPTPFMHGSA-N 0 3 307.482 3.284 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H]1OCCc3ccccc31)CC2 ZINC000589342380 400291317 /nfs/dbraw/zinc/29/13/17/400291317.db2.gz MVPVHFAJZYBOSW-WOJBJXKFSA-N 0 3 304.393 3.449 20 30 DGEDHN C=CCCCCN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595911443 400293722 /nfs/dbraw/zinc/29/37/22/400293722.db2.gz HJLJPTQUYIJAAG-CYBMUJFWSA-N 0 3 308.447 3.465 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000068839349 400294442 /nfs/dbraw/zinc/29/44/42/400294442.db2.gz QXQHVZSMJBUZQG-HOTGVXAUSA-N 0 3 316.445 3.325 20 30 DGEDHN Cc1ccccc1CN1CCCN(c2nc(C#N)ccc2C)CC1 ZINC000596077515 400310818 /nfs/dbraw/zinc/31/08/18/400310818.db2.gz ROFOMIJKQSAVCI-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2cccc(Cl)c2)CC1 ZINC000106037714 400325154 /nfs/dbraw/zinc/32/51/54/400325154.db2.gz PAWULUAMBCGBTD-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)c1cccc(C#N)c1 ZINC000610830255 400312312 /nfs/dbraw/zinc/31/23/12/400312312.db2.gz IYHCERPAHDODGR-HZPDHXFCSA-N 0 3 313.445 3.390 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000106038032 400325214 /nfs/dbraw/zinc/32/52/14/400325214.db2.gz SIYOQWOBCCWBEW-SJORKVTESA-N 0 3 304.478 3.382 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)C1(C#N)CCCCC1 ZINC000601622838 400319166 /nfs/dbraw/zinc/31/91/66/400319166.db2.gz WFXRCJUTDVJFOA-UHFFFAOYSA-N 0 3 315.417 3.169 20 30 DGEDHN Cc1cc(N[C@H]2CCN(C(C)(C)C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000596337067 400384424 /nfs/dbraw/zinc/38/44/24/400384424.db2.gz TVFBHWQFGPTMOI-ZDUSSCGKSA-N 0 3 302.378 3.060 20 30 DGEDHN CC(C)[C@@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1F ZINC000601966288 400390473 /nfs/dbraw/zinc/39/04/73/400390473.db2.gz ZZNJLLOEXCYWJI-QGZVFWFLSA-N 0 3 307.388 3.239 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000069606929 400336448 /nfs/dbraw/zinc/33/64/48/400336448.db2.gz XTLZSJZCLUFPGK-GJZGRUSLSA-N 0 3 314.433 3.251 20 30 DGEDHN C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C)C1 ZINC000611039989 400340365 /nfs/dbraw/zinc/34/03/65/400340365.db2.gz JEGWVRBNTKRWQQ-KBPBESRZSA-N 0 3 310.401 3.476 20 30 DGEDHN N#Cc1cccnc1NCC1(N2CCSCC2)CCCCC1 ZINC000069798394 400343461 /nfs/dbraw/zinc/34/34/61/400343461.db2.gz UBSYHECLFIRLSC-UHFFFAOYSA-N 0 3 316.474 3.117 20 30 DGEDHN CC1(CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCC1 ZINC000590113050 400357839 /nfs/dbraw/zinc/35/78/39/400357839.db2.gz DMULGVVLKYXSMU-QGZVFWFLSA-N 0 3 301.409 3.198 20 30 DGEDHN Cc1ccc(C#N)nc1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000596258180 400363421 /nfs/dbraw/zinc/36/34/21/400363421.db2.gz WMPZKNIMCQSKDC-INIZCTEOSA-N 0 3 320.440 3.220 20 30 DGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590159553 400364187 /nfs/dbraw/zinc/36/41/87/400364187.db2.gz DRAPAOAQVAHHLA-BHIYHBOVSA-N 0 3 317.477 3.182 20 30 DGEDHN N#Cc1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000611402436 400393908 /nfs/dbraw/zinc/39/39/08/400393908.db2.gz ASDNEYFNQYWQMM-VQIMIIECSA-N 0 3 307.397 3.211 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(OC(F)F)c2)nc(C)n1 ZINC000041574242 400409496 /nfs/dbraw/zinc/40/94/96/400409496.db2.gz FUDMIXJBDWAQHS-ZDUSSCGKSA-N 0 3 317.295 3.185 20 30 DGEDHN Cc1ccsc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000041894085 400415833 /nfs/dbraw/zinc/41/58/33/400415833.db2.gz XXGQDDNTEUYIGX-UHFFFAOYSA-N 0 3 313.426 3.389 20 30 DGEDHN N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C2CCCCC2)C1 ZINC000596480936 400425352 /nfs/dbraw/zinc/42/53/52/400425352.db2.gz UTNINAFNALHWFX-AWEZNQCLSA-N 0 3 314.389 3.285 20 30 DGEDHN N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602286854 400434419 /nfs/dbraw/zinc/43/44/19/400434419.db2.gz OMSPOHVJAIHIEH-OAHLLOKOSA-N 0 3 323.371 3.158 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000611670755 400434983 /nfs/dbraw/zinc/43/49/83/400434983.db2.gz SQMPZJCSTJJLTF-GOSISDBHSA-N 0 3 317.477 3.459 20 30 DGEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2CCSCC2)CC1 ZINC000602424866 400458636 /nfs/dbraw/zinc/45/86/36/400458636.db2.gz MNTRBPNKRIEMBU-SFHVURJKSA-N 0 3 315.486 3.012 20 30 DGEDHN C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000602584550 400505049 /nfs/dbraw/zinc/50/50/49/400505049.db2.gz FVGQSTIETICZIL-XHDPSFHLSA-N 0 3 323.799 3.114 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc2cccnc21 ZINC000602585000 400505110 /nfs/dbraw/zinc/50/51/10/400505110.db2.gz ATTYENIGTVAPEJ-HNNXBMFYSA-N 0 3 309.413 3.423 20 30 DGEDHN C[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)c1cccc(C#N)c1 ZINC000591310224 400508161 /nfs/dbraw/zinc/50/81/61/400508161.db2.gz NEYOXEDNHKLRMO-CYBMUJFWSA-N 0 3 320.396 3.087 20 30 DGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602619739 400513988 /nfs/dbraw/zinc/51/39/88/400513988.db2.gz QBXBLXALVTZBMW-HXUWFJFHSA-N 0 3 322.456 3.199 20 30 DGEDHN C[C@H](CCC#N)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000602462570 400467808 /nfs/dbraw/zinc/46/78/08/400467808.db2.gz HTAPBTFVQBGICF-AEFFLSMTSA-N 0 3 313.445 3.211 20 30 DGEDHN Cc1ccc(C#N)cc1-c1ccccc1CN1CCN(C)CC1 ZINC000596638824 400467851 /nfs/dbraw/zinc/46/78/51/400467851.db2.gz DCBMZGZJASKNET-UHFFFAOYSA-N 0 3 305.425 3.281 20 30 DGEDHN N#Cc1cccc(CN(CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000602480812 400473899 /nfs/dbraw/zinc/47/38/99/400473899.db2.gz CCHWXIPCHMUPIP-HXUWFJFHSA-N 0 3 321.424 3.215 20 30 DGEDHN Cc1cccc(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000617915863 400475750 /nfs/dbraw/zinc/47/57/50/400475750.db2.gz FZZOZQSGLROBJL-IBGZPJMESA-N 0 3 306.409 3.426 20 30 DGEDHN CCN(CC)[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602503048 400481230 /nfs/dbraw/zinc/48/12/30/400481230.db2.gz KKOCQQBDRPNMQY-IBGZPJMESA-N 0 3 308.429 3.126 20 30 DGEDHN Cc1cccc(OCCN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602503030 400481420 /nfs/dbraw/zinc/48/14/20/400481420.db2.gz KCDIFINRGVPJMM-MRXNPFEDSA-N 0 3 302.418 3.062 20 30 DGEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCCCC1 ZINC000043999791 400482714 /nfs/dbraw/zinc/48/27/14/400482714.db2.gz NEDHNJAKFJRKEM-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN N#Cc1cccc(CNCCCCOCCc2ccccc2)n1 ZINC000602519306 400486954 /nfs/dbraw/zinc/48/69/54/400486954.db2.gz XHONRZUGVFVTMG-UHFFFAOYSA-N 0 3 309.413 3.082 20 30 DGEDHN N#CCCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602542564 400491827 /nfs/dbraw/zinc/49/18/27/400491827.db2.gz ZZHCKOVWXPIPCO-UHFFFAOYSA-N 0 3 318.196 3.202 20 30 DGEDHN Cc1ccccc1CN1CCCN(c2ncc(C#N)cc2F)CC1 ZINC000591138966 400492253 /nfs/dbraw/zinc/49/22/53/400492253.db2.gz VQTKEPNHWCZVTG-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1cccc(C#N)n1 ZINC000602558877 400496142 /nfs/dbraw/zinc/49/61/42/400496142.db2.gz WECBBMGQRGITOI-YVEFUNNKSA-N 0 3 315.804 3.472 20 30 DGEDHN N#CCCn1cc(CN2C[C@@H]3CCCC[C@@H]32)c(-c2ccncc2)n1 ZINC000597159517 400574112 /nfs/dbraw/zinc/57/41/12/400574112.db2.gz MVFBKAZYTVLHEN-WMZOPIPTSA-N 0 3 321.428 3.233 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)Cc1cccc(C#N)n1 ZINC000602658465 400527393 /nfs/dbraw/zinc/52/73/93/400527393.db2.gz YHKLQZPDYAYITL-UHFFFAOYSA-N 0 3 308.429 3.037 20 30 DGEDHN C=CCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000045857862 400539186 /nfs/dbraw/zinc/53/91/86/400539186.db2.gz IRZVLJJSMNVPFK-UHFFFAOYSA-N 0 3 323.440 3.400 20 30 DGEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000597010717 400539349 /nfs/dbraw/zinc/53/93/49/400539349.db2.gz OPRNOWVBVXSPEC-QGZVFWFLSA-N 0 3 324.424 3.017 20 30 DGEDHN N#Cc1cccc(CNCC2(c3c(F)cccc3F)CCC2)n1 ZINC000602690465 400539561 /nfs/dbraw/zinc/53/95/61/400539561.db2.gz NGKNFEMRXGYOGE-UHFFFAOYSA-N 0 3 313.351 3.443 20 30 DGEDHN CC(C)c1ccc(C(C)(C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000591607786 400545124 /nfs/dbraw/zinc/54/51/24/400545124.db2.gz NDGSTTHXODRNKN-INIZCTEOSA-N 0 3 301.434 3.182 20 30 DGEDHN N#Cc1ccc(S[C@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000591827435 400564171 /nfs/dbraw/zinc/56/41/71/400564171.db2.gz DOHOBAWHEFDHOW-INIZCTEOSA-N 0 3 310.426 3.105 20 30 DGEDHN CN(C)CCN(Cc1ccco1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597129757 400564459 /nfs/dbraw/zinc/56/44/59/400564459.db2.gz OSSBMDDCUKVDMI-UHFFFAOYSA-N 0 3 323.440 3.399 20 30 DGEDHN Cn1nccc1C1=CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597131053 400565714 /nfs/dbraw/zinc/56/57/14/400565714.db2.gz VKKHXULOEHMQRZ-UHFFFAOYSA-N 0 3 318.424 3.265 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N1CCCCC1 ZINC000075275361 400569007 /nfs/dbraw/zinc/56/90/07/400569007.db2.gz DWBBDGRLNOCFQV-CRAIPNDOSA-N 0 3 313.445 3.246 20 30 DGEDHN Cc1ncc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000602957924 400614826 /nfs/dbraw/zinc/61/48/26/400614826.db2.gz WRKJRPABDVCEJD-NSHDSACASA-N 0 3 314.414 3.003 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC000144759757 400642665 /nfs/dbraw/zinc/64/26/65/400642665.db2.gz GCWMVCKOCMQRAW-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN Cc1cc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1C#N ZINC000618593477 400636859 /nfs/dbraw/zinc/63/68/59/400636859.db2.gz MGDGIVJQBWCYRA-PMACEKPBSA-N 0 3 317.436 3.435 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c1 ZINC000046835924 400582469 /nfs/dbraw/zinc/58/24/69/400582469.db2.gz SNHGJARJAPOWJM-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN C[C@H](O)C1(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000597233993 400595055 /nfs/dbraw/zinc/59/50/55/400595055.db2.gz FKOSKJLKKLEBEQ-HNNXBMFYSA-N 0 3 322.408 3.140 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000145930834 400646905 /nfs/dbraw/zinc/64/69/05/400646905.db2.gz UNJUKQFSFBMCNN-HXUWFJFHSA-N 0 3 322.408 3.177 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000048178182 400647555 /nfs/dbraw/zinc/64/75/55/400647555.db2.gz RQLLXDLGDKQQCA-UHFFFAOYSA-N 0 3 316.445 3.246 20 30 DGEDHN CN(C)[C@H](CNc1snc(Cl)c1C#N)Cc1ccccc1 ZINC000076460901 400655561 /nfs/dbraw/zinc/65/55/61/400655561.db2.gz NQQZWFDPDBZVFS-LBPRGKRZSA-N 0 3 320.849 3.253 20 30 DGEDHN COc1ccccc1-c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592522591 400664242 /nfs/dbraw/zinc/66/42/42/400664242.db2.gz PGDHERISURQBCR-HXUWFJFHSA-N 0 3 322.408 3.213 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000048715366 400659937 /nfs/dbraw/zinc/65/99/37/400659937.db2.gz OUCPXPHTMRVMQP-CYBMUJFWSA-N 0 3 305.381 3.294 20 30 DGEDHN COc1ccc(-n2cc(CN3CCC(CCC#N)CC3)cn2)cc1 ZINC000592517581 400661296 /nfs/dbraw/zinc/66/12/96/400661296.db2.gz VDKUDCLARAJBKA-UHFFFAOYSA-N 0 3 324.428 3.397 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000050024391 400675222 /nfs/dbraw/zinc/67/52/22/400675222.db2.gz MVOUPUBLSSDTGV-MRXNPFEDSA-N 0 3 320.436 3.362 20 30 DGEDHN CN(CCCN(C)c1cccc(F)c1C#N)Cc1ccncc1 ZINC000603398977 400681406 /nfs/dbraw/zinc/68/14/06/400681406.db2.gz DWQSZHFBAHNAEN-UHFFFAOYSA-N 0 3 312.392 3.051 20 30 DGEDHN CC(C)N(C(=O)CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695041 400687351 /nfs/dbraw/zinc/68/73/51/400687351.db2.gz SUHSKQXWRIPLHV-GOSISDBHSA-N 0 3 313.445 3.192 20 30 DGEDHN CCOc1ccc(CN(C)CCOc2ccc(C#N)cc2)cc1 ZINC000603823842 400718731 /nfs/dbraw/zinc/71/87/31/400718731.db2.gz ZCCDITZLTUHKRU-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN CCC1CCC(N(CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)CC1 ZINC000603856379 400724121 /nfs/dbraw/zinc/72/41/21/400724121.db2.gz RIJCSQHDLXREMV-LADRWXRNSA-N 0 3 319.493 3.474 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000158452684 400725696 /nfs/dbraw/zinc/72/56/96/400725696.db2.gz DZIDIPAOJHUIAT-DOTOQJQBSA-N 0 3 305.466 3.086 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000077567007 400727526 /nfs/dbraw/zinc/72/75/26/400727526.db2.gz UIRIXDJTXQVGMT-NVXWUHKLSA-N 0 3 307.482 3.295 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618804246 400693012 /nfs/dbraw/zinc/69/30/12/400693012.db2.gz KLUKOOJJYYDYOD-UYAOXDASSA-N 0 3 306.409 3.393 20 30 DGEDHN C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000597949717 400703299 /nfs/dbraw/zinc/70/32/99/400703299.db2.gz WDTOZVFKZDJEPI-HNNXBMFYSA-N 0 3 313.445 3.174 20 30 DGEDHN Cc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000155867458 400705776 /nfs/dbraw/zinc/70/57/76/400705776.db2.gz RGVAJDABTOEBMQ-KRWDZBQOSA-N 0 3 324.403 3.159 20 30 DGEDHN CCN(CCC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619282378 400813609 /nfs/dbraw/zinc/81/36/09/400813609.db2.gz RNJDMFSYTSZMJY-CQSZACIVSA-N 0 3 323.318 3.041 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000054227322 400814769 /nfs/dbraw/zinc/81/47/69/400814769.db2.gz JZMOGQMRNIINRL-BEFAXECRSA-N 0 3 319.408 3.124 20 30 DGEDHN C[C@@H](NC1(C2CCC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000593082817 400757288 /nfs/dbraw/zinc/75/72/88/400757288.db2.gz XSLCOGRFZZRYGK-LLVKDONJSA-N 0 3 317.820 3.461 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000619158365 400785235 /nfs/dbraw/zinc/78/52/35/400785235.db2.gz DHKUTLZWBVOULX-RKVPGOIHSA-N 0 3 311.429 3.317 20 30 DGEDHN CC(C)(CNc1ccc(C#N)cn1)N1CCc2ccccc2C1 ZINC000078331497 400788358 /nfs/dbraw/zinc/78/83/58/400788358.db2.gz HIKVIFNOPHYVSU-UHFFFAOYSA-N 0 3 306.413 3.202 20 30 DGEDHN N#Cc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000054370304 400821783 /nfs/dbraw/zinc/82/17/83/400821783.db2.gz RKCUUEQSDOECEF-UHFFFAOYSA-N 0 3 309.388 3.410 20 30 DGEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1C#N ZINC000619654672 400878212 /nfs/dbraw/zinc/87/82/12/400878212.db2.gz CRGKPHSARSGOOJ-GOSISDBHSA-N 0 3 303.365 3.216 20 30 DGEDHN CCc1ccc(C(C)(C)NCC(=O)N(CC)C[C@H](C)C#N)cc1 ZINC000180098491 400881697 /nfs/dbraw/zinc/88/16/97/400881697.db2.gz AWIJWGBTZSNKEE-OAHLLOKOSA-N 0 3 315.461 3.082 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000180787811 400885233 /nfs/dbraw/zinc/88/52/33/400885233.db2.gz KEBUTAYOPBZQSS-SFHVURJKSA-N 0 3 315.461 3.434 20 30 DGEDHN COc1cc(CN(C)C[C@H](O)CC(C)(C)C#N)ccc1SC ZINC000598588761 400837307 /nfs/dbraw/zinc/83/73/07/400837307.db2.gz CCSHBUSCYZXKGC-CQSZACIVSA-N 0 3 322.474 3.150 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCS[C@@H](c2ccccc2)C1 ZINC000598593492 400838659 /nfs/dbraw/zinc/83/86/59/400838659.db2.gz UGLNRLHACYMOPC-HZPDHXFCSA-N 0 3 304.459 3.077 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000598590347 400839204 /nfs/dbraw/zinc/83/92/04/400839204.db2.gz QHWXVZMEIVDQJZ-HNNXBMFYSA-N 0 3 322.399 3.445 20 30 DGEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@@H](O)CC(C)(C)C#N ZINC000598598867 400841392 /nfs/dbraw/zinc/84/13/92/400841392.db2.gz FIOPWYNXHXJIJW-WWGRRREGSA-N 0 3 304.409 3.434 20 30 DGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598599819 400841753 /nfs/dbraw/zinc/84/17/53/400841753.db2.gz FXRJRSGYLJDUQH-HUUCEWRRSA-N 0 3 304.434 3.425 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000598600752 400841848 /nfs/dbraw/zinc/84/18/48/400841848.db2.gz JGSRYRIIRXKVRG-YPMHNXCESA-N 0 3 312.360 3.239 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000598612208 400842658 /nfs/dbraw/zinc/84/26/58/400842658.db2.gz SQTCYQDNVSEKDI-FUHWJXTLSA-N 0 3 304.409 3.090 20 30 DGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598612733 400844412 /nfs/dbraw/zinc/84/44/12/400844412.db2.gz CYIDZAWCLMJMFN-HZPDHXFCSA-N 0 3 324.852 3.260 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000598613096 400844471 /nfs/dbraw/zinc/84/44/71/400844471.db2.gz DMVFCKLKYFALMK-STQMWFEESA-N 0 3 318.383 3.342 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000598622691 400845234 /nfs/dbraw/zinc/84/52/34/400845234.db2.gz MWFYIBDPGNMBBR-SJLPKXTDSA-N 0 3 304.409 3.090 20 30 DGEDHN C[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCc2ccc(F)cc21 ZINC000598622930 400845795 /nfs/dbraw/zinc/84/57/95/400845795.db2.gz PJZNLFTZTZWOFY-BBRMVZONSA-N 0 3 304.409 3.088 20 30 DGEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000619436943 400848123 /nfs/dbraw/zinc/84/81/23/400848123.db2.gz ZGMSBSBYDMKSQW-QGZVFWFLSA-N 0 3 313.445 3.092 20 30 DGEDHN C=CCCSCCNCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598651036 400850306 /nfs/dbraw/zinc/85/03/06/400850306.db2.gz QDNHFGDSRHQHEV-UHFFFAOYSA-N 0 3 322.474 3.010 20 30 DGEDHN CN(C)CCSc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000619484849 400854827 /nfs/dbraw/zinc/85/48/27/400854827.db2.gz IUZOIRJHYCRCMU-UHFFFAOYSA-N 0 3 314.458 3.138 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000181010115 400887021 /nfs/dbraw/zinc/88/70/21/400887021.db2.gz WZQQRVVWKWKTAA-LLVKDONJSA-N 0 3 306.243 3.470 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000598722994 400865890 /nfs/dbraw/zinc/86/58/90/400865890.db2.gz CIPQWSDRAHUJFN-HIFRSBDPSA-N 0 3 322.836 3.444 20 30 DGEDHN NC(=O)C[C@H](NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000182024777 400891344 /nfs/dbraw/zinc/89/13/44/400891344.db2.gz CELJMEUSAIGORR-KRWDZBQOSA-N 0 3 318.848 3.105 20 30 DGEDHN COC(=O)CCC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614402636 400893886 /nfs/dbraw/zinc/89/38/86/400893886.db2.gz NTBJQMTXMKHLGM-UHFFFAOYSA-N 0 3 300.402 3.032 20 30 DGEDHN CC[C@H](C#N)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000593708309 400897435 /nfs/dbraw/zinc/89/74/35/400897435.db2.gz SMDCMPQLOPZHFA-SJLPKXTDSA-N 0 3 315.461 3.154 20 30 DGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000593714123 400897971 /nfs/dbraw/zinc/89/79/71/400897971.db2.gz MEWRAJUWHLRNBG-CFVMTHIKSA-N 0 3 318.417 3.445 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000619756007 400899548 /nfs/dbraw/zinc/89/95/48/400899548.db2.gz ODWYHWYKJCYADU-OTWHNJEPSA-N 0 3 323.440 3.069 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000619758564 400900539 /nfs/dbraw/zinc/90/05/39/400900539.db2.gz ZXDTUMQERMICQJ-LRDDRELGSA-N 0 3 309.394 3.179 20 30 DGEDHN C[C@@H](c1cccnc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000079877715 400903005 /nfs/dbraw/zinc/90/30/05/400903005.db2.gz KSNVPQPYMJWYQF-KRWDZBQOSA-N 0 3 320.440 3.222 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000079899798 400905332 /nfs/dbraw/zinc/90/53/32/400905332.db2.gz RBYPRMDVNATFGJ-KDOFPFPSSA-N 0 3 319.424 3.121 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1Cc2ccccc2NC1=O ZINC000599074032 400952450 /nfs/dbraw/zinc/95/24/50/400952450.db2.gz JHBPBQKFXBHMIF-OALUTQOASA-N 0 3 317.392 3.089 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000593825036 400915241 /nfs/dbraw/zinc/91/52/41/400915241.db2.gz CCIJPEHEJAKHOP-HNNXBMFYSA-N 0 3 318.367 3.407 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)O[C@H]2CCC[C@H](C)C2)CC1 ZINC000080079519 400921037 /nfs/dbraw/zinc/92/10/37/400921037.db2.gz NTVIYRAPDZIONB-SZMVWBNQSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)O[C@@H]2CCC[C@H](C)C2)CC1 ZINC000080079508 400921122 /nfs/dbraw/zinc/92/11/22/400921122.db2.gz NTVIYRAPDZIONB-JQHSSLGASA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cccc2OC)CC1 ZINC000194994931 400922514 /nfs/dbraw/zinc/92/25/14/400922514.db2.gz NIQVKNFTBXEIQL-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN N#Cc1ccc2ncc(CNCC3(C(F)(F)F)CCCC3)n2c1 ZINC000599013549 400926269 /nfs/dbraw/zinc/92/62/69/400926269.db2.gz KNNDVYFAQJHEIZ-UHFFFAOYSA-N 0 3 322.334 3.418 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000080230871 400933785 /nfs/dbraw/zinc/93/37/85/400933785.db2.gz WJRJMCXJGBMFDA-QAPCUYQASA-N 0 3 306.413 3.418 20 30 DGEDHN CC[C@H](C#N)N(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000594089614 400982090 /nfs/dbraw/zinc/98/20/90/400982090.db2.gz XLVYLKPVUHEUNM-QGZVFWFLSA-N 0 3 313.445 3.049 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000599185318 400991295 /nfs/dbraw/zinc/99/12/95/400991295.db2.gz YLHYGEBLIHQNNP-MRXNPFEDSA-N 0 3 301.434 3.044 20 30 DGEDHN CN(CCCNC(=O)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000057384545 400995349 /nfs/dbraw/zinc/99/53/49/400995349.db2.gz NQKGDTKPGLXUME-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000057137236 400973790 /nfs/dbraw/zinc/97/37/90/400973790.db2.gz QLHQXOVVPNZAQQ-LJQANCHMSA-N 0 3 312.457 3.235 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594084990 400979729 /nfs/dbraw/zinc/97/97/29/400979729.db2.gz UYANNLWBHGNHSH-DLBZAZTESA-N 0 3 312.417 3.005 20 30 DGEDHN COc1ccc2c(c1)CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000594400137 401056546 /nfs/dbraw/zinc/05/65/46/401056546.db2.gz QWFWJLNFSOBSQK-INIZCTEOSA-N 0 3 320.392 3.310 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000247801090 401062662 /nfs/dbraw/zinc/06/26/62/401062662.db2.gz VGFCNRXRSUVCEG-DAXOMENPSA-N 0 3 318.392 3.155 20 30 DGEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594429130 401066514 /nfs/dbraw/zinc/06/65/14/401066514.db2.gz QZVZXVNZAYYVQR-ZDUSSCGKSA-N 0 3 309.797 3.088 20 30 DGEDHN Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1C#N ZINC000599371606 401035722 /nfs/dbraw/zinc/03/57/22/401035722.db2.gz DNJSYOAZAGMBJX-HXUWFJFHSA-N 0 3 304.393 3.498 20 30 DGEDHN C=CCOc1ccccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000058093271 401041276 /nfs/dbraw/zinc/04/12/76/401041276.db2.gz RSTXNYWNDSRBOT-UHFFFAOYSA-N 0 3 312.369 3.492 20 30 DGEDHN CC(C)(NCC(=O)NC1(C#N)CCC1)c1ccc2ccccc2c1 ZINC000599672989 401108704 /nfs/dbraw/zinc/10/87/04/401108704.db2.gz LHCLFPSFQFANEG-UHFFFAOYSA-N 0 3 321.424 3.227 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599677800 401109809 /nfs/dbraw/zinc/10/98/09/401109809.db2.gz LPVKYTSQQCGLLA-KKSFZXQISA-N 0 3 320.436 3.275 20 30 DGEDHN Cc1cnc(CCN2CCc3c(CC#N)cccc3C2)c(C)c1 ZINC000599677929 401110090 /nfs/dbraw/zinc/11/00/90/401110090.db2.gz MWFCZNKYBAZNBG-UHFFFAOYSA-N 0 3 305.425 3.365 20 30 DGEDHN N#CCc1cccc2c1CCN(CCc1ccc(C#N)cc1)C2 ZINC000599678063 401111888 /nfs/dbraw/zinc/11/18/88/401111888.db2.gz OLASHRONZQXOJR-UHFFFAOYSA-N 0 3 301.393 3.225 20 30 DGEDHN N#CC(C(=O)c1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000060851061 401136681 /nfs/dbraw/zinc/13/66/81/401136681.db2.gz YSBSPSCNFGKZGA-CYBMUJFWSA-N 0 3 314.776 3.148 20 30 DGEDHN COc1cc(CN[C@@H](CC(=O)OC(C)C)C(C)C)ccc1C#N ZINC000594622856 401138046 /nfs/dbraw/zinc/13/80/46/401138046.db2.gz HMHRONOBKUQZMN-INIZCTEOSA-N 0 3 318.417 3.023 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1cc(C)ccc1C ZINC000599641149 401100196 /nfs/dbraw/zinc/10/01/96/401100196.db2.gz PTFJDTXKTKVTAX-MAUKXSAKSA-N 0 3 315.461 3.352 20 30 DGEDHN C[C@H](NCCOCC(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000615795736 401154435 /nfs/dbraw/zinc/15/44/35/401154435.db2.gz CCPODCAMRBMFHI-JTQLQIEISA-N 0 3 322.277 3.423 20 30 DGEDHN CCn1nc(CNCCc2ccc(C#N)cc2)c2ccccc21 ZINC000594954413 401205490 /nfs/dbraw/zinc/20/54/90/401205490.db2.gz GCWHIJNOGWCYBY-UHFFFAOYSA-N 0 3 304.397 3.260 20 30 DGEDHN C=C(C)CN(CC)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063651022 401206996 /nfs/dbraw/zinc/20/69/96/401206996.db2.gz HLVQBCIRJUMHPA-AWEZNQCLSA-N 0 3 317.351 3.343 20 30 DGEDHN FC(F)(F)C(F)(F)COCCN1CCCC(F)(F)CC1 ZINC000625770684 401208482 /nfs/dbraw/zinc/20/84/82/401208482.db2.gz OMCDYLZOYRPWBV-UHFFFAOYSA-N 0 3 311.241 3.322 20 30 DGEDHN C=CCCSCCNCc1cnn(Cc2ccccc2)c1 ZINC000594960186 401208819 /nfs/dbraw/zinc/20/88/19/401208819.db2.gz MTUUUMISLGLVFY-UHFFFAOYSA-N 0 3 301.459 3.330 20 30 DGEDHN C=CCCSCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594965690 401212109 /nfs/dbraw/zinc/21/21/09/401212109.db2.gz CESBNNPNSLTVMI-QGZVFWFLSA-N 0 3 307.459 3.253 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1 ZINC000063749566 401214219 /nfs/dbraw/zinc/21/42/19/401214219.db2.gz CEHNTWZXUBKUNP-JKSUJKDBSA-N 0 3 316.445 3.102 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(C(N)=O)c1 ZINC000063750718 401214539 /nfs/dbraw/zinc/21/45/39/401214539.db2.gz FYCVDXCMNXRFTN-UHFFFAOYSA-N 0 3 307.397 3.068 20 30 DGEDHN CN(C(=O)CN(C1CC1)C1CCCC1)C1(C#N)CCCCC1 ZINC000064808455 401251580 /nfs/dbraw/zinc/25/15/80/401251580.db2.gz NBOUSGJFRNJKJY-UHFFFAOYSA-N 0 3 303.450 3.078 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(CCO)C(C)C)cc1OC ZINC000628119965 401528044 /nfs/dbraw/zinc/52/80/44/401528044.db2.gz RKAALIHWHVGJOE-UHFFFAOYSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)C[C@H](C)O)cc1OC ZINC000623488738 401530068 /nfs/dbraw/zinc/53/00/68/401530068.db2.gz BJEQICZPLNBLQQ-RYUDHWBXSA-N 0 3 313.825 3.162 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623542422 401542774 /nfs/dbraw/zinc/54/27/74/401542774.db2.gz ZXAGIQBFZCSMFQ-ZDUSSCGKSA-N 0 3 303.324 3.131 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)CC[C@@H](C)O)cc1OC ZINC000628178679 401543230 /nfs/dbraw/zinc/54/32/30/401543230.db2.gz XWKFIOCNBHNCEY-GFCCVEGCSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CO[C@@H](C)C2)cc1OC ZINC000623559209 401546355 /nfs/dbraw/zinc/54/63/55/401546355.db2.gz VPTAPIYFWIJFIE-WCQYABFASA-N 0 3 311.809 3.180 20 30 DGEDHN C=CCCCC[C@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000624262322 401645037 /nfs/dbraw/zinc/64/50/37/401645037.db2.gz NBWJTDRSAYJHKL-AWEZNQCLSA-N 0 3 318.417 3.121 20 30 DGEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000637139921 401616468 /nfs/dbraw/zinc/61/64/68/401616468.db2.gz QHWAJYZIMPOUNF-XHSDSOJGSA-N 0 3 319.449 3.316 20 30 DGEDHN C[C@@H](NCCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173887110 287028664 /nfs/dbraw/zinc/02/86/64/287028664.db2.gz OMNMEYHFKFVILN-MRXNPFEDSA-N 0 3 305.425 3.267 20 30 DGEDHN C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1cccc(C#N)c1 ZINC000182135830 164930141 /nfs/dbraw/zinc/93/01/41/164930141.db2.gz FFSNRVYGBXAVPZ-PBHICJAKSA-N 0 3 300.402 3.285 20 30 DGEDHN Cc1nccn1-c1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000191304478 165241822 /nfs/dbraw/zinc/24/18/22/165241822.db2.gz BDVLSIFCQSZQGL-AWEZNQCLSA-N 0 3 319.412 3.242 20 30 DGEDHN COc1ccc(CC2CCN(Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000191298476 165242579 /nfs/dbraw/zinc/24/25/79/165242579.db2.gz WPFZFPMAKSJJEJ-UHFFFAOYSA-N 0 3 323.440 3.360 20 30 DGEDHN N#Cc1ccc(CN2CCN(C3CCCCC3)CC2)cc1F ZINC000192076237 165280203 /nfs/dbraw/zinc/28/02/03/165280203.db2.gz GWFCSSLDOYQPLW-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)c(F)c1)C(C)C ZINC000192195570 165287430 /nfs/dbraw/zinc/28/74/30/165287430.db2.gz QDMMOAQHSKRXBH-KRWDZBQOSA-N 0 3 306.381 3.155 20 30 DGEDHN N#Cc1ccccc1OCCN[C@H]1CCCc2c(O)cccc21 ZINC000192362826 165290961 /nfs/dbraw/zinc/29/09/61/165290961.db2.gz DPVMOYBDPBNKQP-KRWDZBQOSA-N 0 3 308.381 3.310 20 30 DGEDHN C=CCN1CCC(NC(=O)NCCCC2CCCCC2)CC1 ZINC000171713158 432162673 /nfs/dbraw/zinc/16/26/73/432162673.db2.gz BMNWYYVZXFCQRV-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000171726350 432165680 /nfs/dbraw/zinc/16/56/80/432165680.db2.gz CWEHOJKLYNHTNH-MDZDMXLPSA-N 0 3 321.424 3.015 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000171740208 432166772 /nfs/dbraw/zinc/16/67/72/432166772.db2.gz XAQKCDDAHVFUBE-UHFFFAOYSA-N 0 3 317.433 3.246 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000171739379 432167437 /nfs/dbraw/zinc/16/74/37/432167437.db2.gz AURYNLCVMIOEMC-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246948490 432183557 /nfs/dbraw/zinc/18/35/57/432183557.db2.gz UMBDTMHMOZEOST-HNAYVOBHSA-N 0 3 313.420 3.146 20 30 DGEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000171948494 432186600 /nfs/dbraw/zinc/18/66/00/432186600.db2.gz ZCAYBAJXTPTYCF-GJZGRUSLSA-N 0 3 319.424 3.439 20 30 DGEDHN C[C@@H]1C[C@H](N(C)c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000150876464 432198547 /nfs/dbraw/zinc/19/85/47/432198547.db2.gz VTLQZEHHUPHIGF-VQIMIIECSA-N 0 3 320.440 3.443 20 30 DGEDHN N#Cc1cc(NC(=O)[C@H]2CCCN2C2CCCC2)ccc1F ZINC000269693725 432199528 /nfs/dbraw/zinc/19/95/28/432199528.db2.gz OQXBZUBJFGIMIL-MRXNPFEDSA-N 0 3 301.365 3.043 20 30 DGEDHN C[C@H]1C[C@H](N(C)c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000150875166 432198125 /nfs/dbraw/zinc/19/81/25/432198125.db2.gz OJNGSSLNZOBXGI-QFBILLFUSA-N 0 3 320.440 3.443 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000182528469 432200955 /nfs/dbraw/zinc/20/09/55/432200955.db2.gz XOSJNTYQEHYSDZ-GOSISDBHSA-N 0 3 315.461 3.349 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](OCCC)CC1 ZINC000247095719 432202515 /nfs/dbraw/zinc/20/25/15/432202515.db2.gz JKFIZTILRPEBCQ-SJORKVTESA-N 0 3 310.482 3.081 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@H](C2CC2)C1 ZINC000328947055 287279606 /nfs/dbraw/zinc/27/96/06/287279606.db2.gz MLGFULZHVVGQGW-SNPRPXQTSA-N 0 3 307.438 3.168 20 30 DGEDHN N#CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CCCC1 ZINC000128291639 227008066 /nfs/dbraw/zinc/00/80/66/227008066.db2.gz KOQZFWPCTJWJEN-UHFFFAOYSA-N 0 3 311.429 3.191 20 30 DGEDHN COc1ccc(CN(C)[C@@H]2CCSC2)cc1OCCCC#N ZINC000130615566 227020489 /nfs/dbraw/zinc/02/04/89/227020489.db2.gz XOYRWUYJOJHFTB-OAHLLOKOSA-N 0 3 320.458 3.315 20 30 DGEDHN Cc1cccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)c1C ZINC000183735836 228375609 /nfs/dbraw/zinc/37/56/09/228375609.db2.gz YUJZMGHYDBCZLE-MRXNPFEDSA-N 0 3 313.445 3.297 20 30 DGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(O[C@@H]2CCOC2)c1 ZINC000185857401 228399990 /nfs/dbraw/zinc/39/99/90/228399990.db2.gz YMGJIIUCYATJGM-RYQLBKOJSA-N 0 3 314.429 3.335 20 30 DGEDHN C[C@H](c1ccccc1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279751811 228722674 /nfs/dbraw/zinc/72/26/74/228722674.db2.gz QHMBDHRCFIBQIW-BEFAXECRSA-N 0 3 317.392 3.460 20 30 DGEDHN CN(C)Cc1cccc(C(=O)NC2(CCO)CCCCC2)c1 ZINC000330719502 229001282 /nfs/dbraw/zinc/00/12/82/229001282.db2.gz BGCRKFZMZFANHV-UHFFFAOYSA-N 0 3 304.434 3.138 20 30 DGEDHN C[C@H](NC(=O)Nc1ncc(C(C)(C)C)s1)C1=CCN(C)CC1 ZINC000330797372 229004623 /nfs/dbraw/zinc/00/46/23/229004623.db2.gz XPMWXZMTOXNTEH-NSHDSACASA-N 0 3 322.478 3.417 20 30 DGEDHN Cc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c(Cl)c1 ZINC000331202360 229022358 /nfs/dbraw/zinc/02/23/58/229022358.db2.gz NREHMWPZABMRLI-AWEZNQCLSA-N 0 3 324.852 3.046 20 30 DGEDHN Cn1cc([C@@H]2CCCCN2CCCC2(C#N)CCOCC2)cn1 ZINC000331737428 229033638 /nfs/dbraw/zinc/03/36/38/229033638.db2.gz UJZFRSKPHVBQEA-KRWDZBQOSA-N 0 3 316.449 3.048 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cc(F)cc(Cl)c2)nc(C)n1 ZINC000340860227 229092749 /nfs/dbraw/zinc/09/27/49/229092749.db2.gz PLFLUMQNLIKWDW-ZDUSSCGKSA-N 0 3 303.724 3.376 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000342661594 229116186 /nfs/dbraw/zinc/11/61/86/229116186.db2.gz KJTXXVOJNGUKLK-UHFFFAOYSA-N 0 3 319.408 3.273 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc3ncccc3c2)nc(C)n1 ZINC000340186520 229086512 /nfs/dbraw/zinc/08/65/12/229086512.db2.gz RZJZPPQKYGFNRH-OAHLLOKOSA-N 0 3 302.337 3.132 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000344917604 229145840 /nfs/dbraw/zinc/14/58/40/229145840.db2.gz CPBVTXQNGUVBHM-CZUORRHYSA-N 0 3 314.433 3.092 20 30 DGEDHN COCCOc1ccc([C@H](C)NCCC(C)(C)C#N)cc1OC ZINC000345943269 229161191 /nfs/dbraw/zinc/16/11/91/229161191.db2.gz WIKMDQSMPHWCMW-AWEZNQCLSA-N 0 3 320.433 3.311 20 30 DGEDHN N#CC1(NC(=O)CN[C@H](CC2CCC2)c2ccccc2)CCC1 ZINC000346943690 229178159 /nfs/dbraw/zinc/17/81/59/229178159.db2.gz LYFKEDKMJZIHSS-QGZVFWFLSA-N 0 3 311.429 3.070 20 30 DGEDHN Cc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccc1F ZINC000348007450 229194830 /nfs/dbraw/zinc/19/48/30/229194830.db2.gz IINAYUWBVBGHFB-QGZVFWFLSA-N 0 3 321.355 3.004 20 30 DGEDHN Cc1cccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000348086107 229198432 /nfs/dbraw/zinc/19/84/32/229198432.db2.gz NDMOITWLLKOEFI-IBGZPJMESA-N 0 3 317.392 3.208 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc(C#N)cc1F ZINC000413166573 230143778 /nfs/dbraw/zinc/14/37/78/230143778.db2.gz GYMYKZHRFJXEGT-KBXCAEBGSA-N 0 3 324.403 3.415 20 30 DGEDHN C[C@@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000413290458 230180043 /nfs/dbraw/zinc/18/00/43/230180043.db2.gz AMGLDKWMYCMFSB-DYVFJYSZSA-N 0 3 310.376 3.167 20 30 DGEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cc(C#N)n(C)c1 ZINC000361509602 269791562 /nfs/dbraw/zinc/79/15/62/269791562.db2.gz CQDIANCMMCDORX-LJQANCHMSA-N 0 3 309.413 3.415 20 30 DGEDHN CCN(CCN1CCCCCC1)C(=O)c1cccc(C#N)c1C ZINC000346351279 264016971 /nfs/dbraw/zinc/01/69/71/264016971.db2.gz VCZABAFCYONMES-UHFFFAOYSA-N 0 3 313.445 3.205 20 30 DGEDHN C[C@H]1CSC[C@H]1NCc1ccc(Br)cc1C#N ZINC000347130353 264162314 /nfs/dbraw/zinc/16/23/14/264162314.db2.gz KAHSFGFNBUVVJN-TVQRCGJNSA-N 0 3 311.248 3.162 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000347262951 264185971 /nfs/dbraw/zinc/18/59/71/264185971.db2.gz PKZKJVTZSYZACW-FUHWJXTLSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@@H](CNc1nc2c(cc1C#N)CCC2)N(C)Cc1ccccc1 ZINC000347326099 264196927 /nfs/dbraw/zinc/19/69/27/264196927.db2.gz WSFBZJXNGWBABX-HNNXBMFYSA-N 0 3 320.440 3.374 20 30 DGEDHN CC[C@@H](CO)N(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000347349896 264203060 /nfs/dbraw/zinc/20/30/60/264203060.db2.gz QCQAPCVUMKMKSK-IBGZPJMESA-N 0 3 324.424 3.210 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCOC1 ZINC000348142955 264351868 /nfs/dbraw/zinc/35/18/68/264351868.db2.gz OAJSEULFGRKRIG-SMDDNHRTSA-N 0 3 310.344 3.064 20 30 DGEDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(C#N)cs1)c1ccco1 ZINC000359539350 270004282 /nfs/dbraw/zinc/00/42/82/270004282.db2.gz OSQJOZRGCVNMEB-WCQYABFASA-N 0 3 317.414 3.072 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@@H](C)CCC[C@H]2C)c1C#N ZINC000534471462 270005060 /nfs/dbraw/zinc/00/50/60/270005060.db2.gz LYMQGQUEBYCNCP-UONOGXRCSA-N 0 3 300.402 3.355 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000352863817 265204047 /nfs/dbraw/zinc/20/40/47/265204047.db2.gz WUFKZJXVHQIHSN-NWANDNLSSA-N 0 3 310.319 3.234 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353277836 265371670 /nfs/dbraw/zinc/37/16/70/265371670.db2.gz VWOUWCSJTOOGKK-UYAOXDASSA-N 0 3 306.409 3.393 20 30 DGEDHN C=CCCCCCN(C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000151234273 432231138 /nfs/dbraw/zinc/23/11/38/432231138.db2.gz IRRDYOYANYNOCQ-CYBMUJFWSA-N 0 3 306.372 3.218 20 30 DGEDHN CCN(Cc1ccccc1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000357323232 266139010 /nfs/dbraw/zinc/13/90/10/266139010.db2.gz LDOPRKJZIPYJNE-IBGZPJMESA-N 0 3 324.424 3.129 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCCC2 ZINC000361563320 266291445 /nfs/dbraw/zinc/29/14/45/266291445.db2.gz KBTNORJZDIEGDQ-QZTJIDSGSA-N 0 3 315.461 3.456 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)CCOc2ccccc2C#N)C12CCC2 ZINC000357796049 266302070 /nfs/dbraw/zinc/30/20/70/266302070.db2.gz JFLHTZJSGNSXDR-MSOLQXFVSA-N 0 3 314.429 3.217 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CN1C1CC1 ZINC000619696945 425106521 /nfs/dbraw/zinc/10/65/21/425106521.db2.gz QFFLGAMURMKWEK-NXEZZACHSA-N 0 3 310.323 3.009 20 30 DGEDHN C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CN1C1CC1 ZINC000619696949 425106695 /nfs/dbraw/zinc/10/66/95/425106695.db2.gz QFFLGAMURMKWEK-VHSXEESVSA-N 0 3 310.323 3.009 20 30 DGEDHN CCCCCN(CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC000520172970 267001294 /nfs/dbraw/zinc/00/12/94/267001294.db2.gz YWXFACNVFFFBKU-UHFFFAOYSA-N 0 3 301.434 3.075 20 30 DGEDHN C[C@@H]1CCN(c2cccnc2C#N)CCN1Cc1ccccc1 ZINC000368178665 267023592 /nfs/dbraw/zinc/02/35/92/267023592.db2.gz TYHBLUVHZVUEOD-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000367882308 267092414 /nfs/dbraw/zinc/09/24/14/267092414.db2.gz YAYFOIGRWLBVGQ-NIKGAXFTSA-N 0 3 307.397 3.070 20 30 DGEDHN C[C@@H]1C[C@H](c2cccnc2)N(CCOc2ccc(C#N)cc2)C1 ZINC000359864548 267092806 /nfs/dbraw/zinc/09/28/06/267092806.db2.gz BDIQUABDBDSVTN-DNVCBOLYSA-N 0 3 307.397 3.415 20 30 DGEDHN C[C@@H]1[C@H](NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000404042964 267111446 /nfs/dbraw/zinc/11/14/46/267111446.db2.gz ICOUZMRAMFBPRN-FOIQADDNSA-N 0 3 323.415 3.450 20 30 DGEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@@H]1C ZINC000349874591 267160832 /nfs/dbraw/zinc/16/08/32/267160832.db2.gz MMPIVWXAQZAPLT-QWHCGFSZSA-N 0 3 319.836 3.204 20 30 DGEDHN C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(F)(F)F ZINC000359129440 267162217 /nfs/dbraw/zinc/16/22/17/267162217.db2.gz KUNTYXRVJIVEKF-LLVKDONJSA-N 0 3 322.334 3.247 20 30 DGEDHN Cc1cc(CNCc2ccc(NC(=O)N(C)C)cc2)ccc1C#N ZINC000358746055 267326218 /nfs/dbraw/zinc/32/62/18/267326218.db2.gz SNUATFKUEADVHD-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000151318949 432238110 /nfs/dbraw/zinc/23/81/10/432238110.db2.gz CHAZBQUALSIDNZ-ZBFHGGJFSA-N 0 3 311.454 3.372 20 30 DGEDHN N#Cc1ccc(C2=CCN(CCC(=O)N3CCCCC3)CC2)cc1 ZINC000347942196 268055232 /nfs/dbraw/zinc/05/52/32/268055232.db2.gz HMAPNAJHFMQHNP-UHFFFAOYSA-N 0 3 323.440 3.050 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCCCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000356300129 268076414 /nfs/dbraw/zinc/07/64/14/268076414.db2.gz JCUBRUNEWMCATP-GJZGRUSLSA-N 0 3 312.335 3.360 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(c3ccnc4ccccc43)C2)nc1 ZINC000366189041 268186048 /nfs/dbraw/zinc/18/60/48/268186048.db2.gz XLCYABAVFJEQOR-HNNXBMFYSA-N 0 3 316.364 3.159 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H]2c2ccccc2)c1 ZINC000353046439 268264211 /nfs/dbraw/zinc/26/42/11/268264211.db2.gz AOZTUQMNMGYUDK-SFHVURJKSA-N 0 3 305.381 3.334 20 30 DGEDHN N#Cc1ccnc(NC[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000367720384 268298253 /nfs/dbraw/zinc/29/82/53/268298253.db2.gz KWKKCPOILQNYDO-SFHVURJKSA-N 0 3 306.413 3.277 20 30 DGEDHN C[C@H](CC(=O)N(C)c1ccccc1)NCc1cccc(C#N)c1 ZINC000151394449 432244506 /nfs/dbraw/zinc/24/45/06/432244506.db2.gz CVYLQFHEHWGZQQ-OAHLLOKOSA-N 0 3 307.397 3.089 20 30 DGEDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191295450 432246211 /nfs/dbraw/zinc/24/62/11/432246211.db2.gz AMAKKANAXOSKOY-AWEZNQCLSA-N 0 3 305.809 3.318 20 30 DGEDHN CC(C)(C)CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302227029 273497783 /nfs/dbraw/zinc/49/77/83/273497783.db2.gz WNOSVCMPPYOZEF-UHFFFAOYSA-N 0 3 316.405 3.025 20 30 DGEDHN CN(C)[C@H](CNc1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000301104961 273815294 /nfs/dbraw/zinc/81/52/94/273815294.db2.gz LFFTZTGWZBHRLI-HNNXBMFYSA-N 0 3 315.367 3.421 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCCCC2=O)CC1 ZINC000187705655 274276954 /nfs/dbraw/zinc/27/69/54/274276954.db2.gz XRPTXEGAXZRFEA-HNNXBMFYSA-N 0 3 311.429 3.096 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000443651276 274303509 /nfs/dbraw/zinc/30/35/09/274303509.db2.gz JGHISPIKAKNKMS-RVKKMQEKSA-N 0 3 311.429 3.032 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N3CC[C@H](N4CCCCC4)C3)c2c1 ZINC000488115217 274785822 /nfs/dbraw/zinc/78/58/22/274785822.db2.gz VNDMPADOAPPCCX-KRWDZBQOSA-N 0 3 320.440 3.480 20 30 DGEDHN O[C@@H]1CCC[C@H]1[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000451421258 275053940 /nfs/dbraw/zinc/05/39/40/275053940.db2.gz ODGICIJWMBKGDQ-RCCFBDPRSA-N 0 3 303.833 3.317 20 30 DGEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@H]2C1 ZINC000451699079 275054135 /nfs/dbraw/zinc/05/41/35/275054135.db2.gz KPRDYTZUTVXPGF-LZLYRXPVSA-N 0 3 303.833 3.174 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCC1 ZINC000358544749 275422332 /nfs/dbraw/zinc/42/23/32/275422332.db2.gz VOVLUAIGQNWTAN-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2c(c1)OCCCCO2 ZINC000449548454 275436822 /nfs/dbraw/zinc/43/68/22/275436822.db2.gz NJWZFGDJKUWMQV-CVEARBPZSA-N 0 3 303.402 3.061 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000220789186 275519112 /nfs/dbraw/zinc/51/91/12/275519112.db2.gz OHHSYOCBBKGFKO-MRXNPFEDSA-N 0 3 315.417 3.047 20 30 DGEDHN CCC[C@@H]1CN(CCC2(C#N)CCCCC2)CCN1CCOC ZINC000411434696 276031337 /nfs/dbraw/zinc/03/13/37/276031337.db2.gz ZZKOJBMGFIJDSU-GOSISDBHSA-N 0 3 321.509 3.283 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C1CCCCC1 ZINC000052131764 276036414 /nfs/dbraw/zinc/03/64/14/276036414.db2.gz GDGSYLPPRBFNOX-AEFFLSMTSA-N 0 3 305.466 3.086 20 30 DGEDHN CCN(CC)[C@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413086049 276119513 /nfs/dbraw/zinc/11/95/13/276119513.db2.gz PIGGXSOCAVTICK-CQSZACIVSA-N 0 3 302.353 3.180 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C2CCC2)C1)C(C)C ZINC000480512271 276891225 /nfs/dbraw/zinc/89/12/25/276891225.db2.gz BBGIEWJYMZIHDM-GOSISDBHSA-N 0 3 319.493 3.127 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@H](OCC)C12CCCC2 ZINC000439650972 277773387 /nfs/dbraw/zinc/77/33/87/277773387.db2.gz QTCVNOADPGIIBP-ULQDDVLXSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2CCC[C@@H]21)C(C)C ZINC000429943481 277850738 /nfs/dbraw/zinc/85/07/38/277850738.db2.gz NQVAWENKKHDLHC-OKZBNKHCSA-N 0 3 319.493 3.269 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000355738955 277887316 /nfs/dbraw/zinc/88/73/16/277887316.db2.gz QROCEVISRNTHDN-BHYGNILZSA-N 0 3 303.450 3.332 20 30 DGEDHN COc1cccc(/C=N/C[C@@H](c2ccc(C)cc2)N(C)C)c1O ZINC000067005673 278007206 /nfs/dbraw/zinc/00/72/06/278007206.db2.gz PKFJIYZLDNLCMK-RONKMWSCSA-N 0 3 312.413 3.431 20 30 DGEDHN CC(C)(C#N)CCN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412013376 278257694 /nfs/dbraw/zinc/25/76/94/278257694.db2.gz UKAIZHWCPNSORU-QGZVFWFLSA-N 0 3 316.445 3.046 20 30 DGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 ZINC000068370695 431125563 /nfs/dbraw/zinc/12/55/63/431125563.db2.gz ZNOAZSSCWDAKAO-UHFFFAOYSA-N 0 3 313.426 3.470 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C)CC1 ZINC000068829603 431143848 /nfs/dbraw/zinc/14/38/48/431143848.db2.gz SMDZCZNCJPNDHL-SJORKVTESA-N 0 3 313.445 3.444 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000111260180 431203399 /nfs/dbraw/zinc/20/33/99/431203399.db2.gz DXOHCFUHMBDMMG-CQSZACIVSA-N 0 3 304.409 3.243 20 30 DGEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000111254775 431205942 /nfs/dbraw/zinc/20/59/42/431205942.db2.gz FNPHSQHIVOVNHA-RYUDHWBXSA-N 0 3 319.474 3.413 20 30 DGEDHN C=CC1CCN([C@@H](CC)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000111257608 431206142 /nfs/dbraw/zinc/20/61/42/431206142.db2.gz MGLPKOFLXJXCDH-KRWDZBQOSA-N 0 3 302.418 3.310 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1CCC1 ZINC000111297027 431207368 /nfs/dbraw/zinc/20/73/68/431207368.db2.gz QTZNEKVJAXTROU-SWKXRBFHSA-N 0 3 305.466 3.038 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000185757359 279488210 /nfs/dbraw/zinc/48/82/10/279488210.db2.gz LJHFRHLJVXHBNQ-BBWFWOEESA-N 0 3 301.434 3.479 20 30 DGEDHN C#CCCOc1ccc(CNCc2cccc(N(C)C)c2)cc1 ZINC000113335460 431343078 /nfs/dbraw/zinc/34/30/78/431343078.db2.gz RPZWQJVAXOZRGL-UHFFFAOYSA-N 0 3 308.425 3.445 20 30 DGEDHN COc1ccc([C@H]2CCCN2CCCSCC#N)cc1OC ZINC000074980796 431444258 /nfs/dbraw/zinc/44/42/58/431444258.db2.gz IZXICZPQMFPJFU-OAHLLOKOSA-N 0 3 320.458 3.488 20 30 DGEDHN CC(C)CC(CC(C)C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599519 431465465 /nfs/dbraw/zinc/46/54/65/431465465.db2.gz KHSZOXDPCHSEDQ-QGZVFWFLSA-N 0 3 301.434 3.135 20 30 DGEDHN N#CCCN(C(=O)CN1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000075769091 431495278 /nfs/dbraw/zinc/49/52/78/431495278.db2.gz ICEPUTVDLKFFOQ-AEFFLSMTSA-N 0 3 311.429 3.198 20 30 DGEDHN CC[C@@H](C(=O)Nc1ccccc1O[C@H](C)C#N)N(CC)CC ZINC000272703703 280083327 /nfs/dbraw/zinc/08/33/27/280083327.db2.gz QEOJPXSBJJYAIR-HIFRSBDPSA-N 0 3 303.406 3.036 20 30 DGEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCCC1(C#N)CCOCC1 ZINC000337259649 280108976 /nfs/dbraw/zinc/10/89/76/280108976.db2.gz VMYAOCYVZUKANL-QWHCGFSZSA-N 0 3 304.356 3.360 20 30 DGEDHN CC[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CC[C@@H]1c1ccccc1 ZINC000424122176 280376026 /nfs/dbraw/zinc/37/60/26/280376026.db2.gz JQOACYWKRFICFL-BPQIPLTHSA-N 0 3 313.445 3.050 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000025665632 431662182 /nfs/dbraw/zinc/66/21/82/431662182.db2.gz HPVBPPYKUHEIQV-QUCCMNQESA-N 0 3 324.424 3.347 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)oc1C)C(C)C ZINC000120283370 431723717 /nfs/dbraw/zinc/72/37/17/431723717.db2.gz BCMCGFZQOXWRTO-QGZVFWFLSA-N 0 3 304.434 3.325 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccncc1C)C(C)C ZINC000120315944 431723786 /nfs/dbraw/zinc/72/37/86/431723786.db2.gz DNBKIGRQJFJFBK-KRWDZBQOSA-N 0 3 316.449 3.210 20 30 DGEDHN C#CCCCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000120197010 431724266 /nfs/dbraw/zinc/72/42/66/431724266.db2.gz FIVTXSZHCFUVBE-SFHVURJKSA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCOc1ccc(CNC[C@](C)(O)CSC)cc1Cl ZINC000120681606 431729670 /nfs/dbraw/zinc/72/96/70/431729670.db2.gz QSGSLSBNLATIHX-HNNXBMFYSA-N 0 3 315.866 3.108 20 30 DGEDHN N#CCSCCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000080627446 431771825 /nfs/dbraw/zinc/77/18/25/431771825.db2.gz BNRYNXSAHONNJO-KRWDZBQOSA-N 0 3 304.459 3.314 20 30 DGEDHN CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041481003 431859429 /nfs/dbraw/zinc/85/94/29/431859429.db2.gz BMVDIEFAVUPTLU-OAHLLOKOSA-N 0 3 307.353 3.166 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000036031135 431833235 /nfs/dbraw/zinc/83/32/35/431833235.db2.gz VSDFZUUNUZZSNC-MJGOQNOKSA-N 0 3 319.445 3.003 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1C(C)C ZINC000092693713 431911340 /nfs/dbraw/zinc/91/13/40/431911340.db2.gz SRCTWCIKLCBBFK-GFCCVEGCSA-N 0 3 307.357 3.139 20 30 DGEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2CCC(=O)N(C)CCC#N)o1 ZINC000092798513 431911708 /nfs/dbraw/zinc/91/17/08/431911708.db2.gz ZPXTZQGZGQCSDJ-ZBFHGGJFSA-N 0 3 317.433 3.123 20 30 DGEDHN COCCN(Cc1ccc2c(c1)OCO2)CC(C)(C)CCC#N ZINC000093358370 431914071 /nfs/dbraw/zinc/91/40/71/431914071.db2.gz JPXGQTUJADGBSD-UHFFFAOYSA-N 0 3 318.417 3.194 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000047797730 431915620 /nfs/dbraw/zinc/91/56/20/431915620.db2.gz KBPJUAYCUNQVSE-UHFFFAOYSA-N 0 3 306.344 3.173 20 30 DGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000125352788 431923043 /nfs/dbraw/zinc/92/30/43/431923043.db2.gz MGRPJQQQWRVJFB-LSDHHAIUSA-N 0 3 317.408 3.193 20 30 DGEDHN C=CCCOCCN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000090884028 431896370 /nfs/dbraw/zinc/89/63/70/431896370.db2.gz TUXOCINTQHKFSE-AWEZNQCLSA-N 0 3 317.433 3.214 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000046835915 431901347 /nfs/dbraw/zinc/90/13/47/431901347.db2.gz GWCUGDLILVRCTC-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](CC)c2ccc(F)cc2)CC1 ZINC000124889680 431907373 /nfs/dbraw/zinc/90/73/73/431907373.db2.gz RIPOYVJAJYIYLT-KRWDZBQOSA-N 0 3 304.409 3.086 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCCc2cn3ccccc3n2)C1 ZINC000125770315 431935627 /nfs/dbraw/zinc/93/56/27/431935627.db2.gz LFDHABRZASJOLN-UHFFFAOYSA-N 0 3 316.408 3.090 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@H](O)c2ccccc2F)C1 ZINC000126113343 431942871 /nfs/dbraw/zinc/94/28/71/431942871.db2.gz HKOZRVJSFQTSQQ-OBONGRFPSA-N 0 3 310.372 3.073 20 30 DGEDHN CCN(C(=O)CN1CCC(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000126607303 431953862 /nfs/dbraw/zinc/95/38/62/431953862.db2.gz HFBDNBZWJSOSON-MRXNPFEDSA-N 0 3 313.445 3.200 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000096573799 431955122 /nfs/dbraw/zinc/95/51/22/431955122.db2.gz XMKVRTXQZFIPCN-FQEVSTJZSA-N 0 3 323.436 3.213 20 30 DGEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1CC1CCCCC1)C1CC1 ZINC000127080020 431964153 /nfs/dbraw/zinc/96/41/53/431964153.db2.gz AFBIGHRFKYKZIS-IEBWSBKVSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CCc1cccc2ccccc21 ZINC000101556379 431985557 /nfs/dbraw/zinc/98/55/57/431985557.db2.gz IZBUNDWRWJCNRB-MRXNPFEDSA-N 0 3 323.440 3.075 20 30 DGEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(C#N)cc1F ZINC000270677686 432274887 /nfs/dbraw/zinc/27/48/87/432274887.db2.gz RXZUNFMAUBVGQA-XIKOKIGWSA-N 0 3 316.351 3.438 20 30 DGEDHN Cc1ccc(Br)cc1CNCc1cc(C#N)n(C)c1 ZINC000191621769 432284967 /nfs/dbraw/zinc/28/49/67/432284967.db2.gz BMWOURNWPFYQFZ-UHFFFAOYSA-N 0 3 318.218 3.258 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]2CCC[C@@H]21 ZINC000173811576 432300790 /nfs/dbraw/zinc/30/07/90/432300790.db2.gz LWALKHUTAVGODP-JSGCOSHPSA-N 0 3 303.431 3.213 20 30 DGEDHN N#CC1CCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000057879099 431993676 /nfs/dbraw/zinc/99/36/76/431993676.db2.gz BQPACLBAHDQVQD-UHFFFAOYSA-N 0 3 307.397 3.404 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000271089543 432328476 /nfs/dbraw/zinc/32/84/76/432328476.db2.gz KKWNSDQBZMMQDN-UHFFFAOYSA-N 0 3 323.368 3.195 20 30 DGEDHN Cc1ccoc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271141921 432337122 /nfs/dbraw/zinc/33/71/22/432337122.db2.gz AZTWOSWMUKVLJP-UHFFFAOYSA-N 0 3 323.396 3.310 20 30 DGEDHN C=CCOc1cccc(CN2CCC3(C[C@H]3C(=O)OC)CC2)c1 ZINC000271175114 432343907 /nfs/dbraw/zinc/34/39/07/432343907.db2.gz JBZGHKWPVZNDKR-KRWDZBQOSA-N 0 3 315.413 3.027 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000249307671 432344751 /nfs/dbraw/zinc/34/47/51/432344751.db2.gz GZIQWTBKBTWORS-LSDHHAIUSA-N 0 3 306.475 3.383 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192469692 432377981 /nfs/dbraw/zinc/37/79/81/432377981.db2.gz IMDDRXZLZJATLQ-KRWDZBQOSA-N 0 3 305.393 3.048 20 30 DGEDHN N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192501548 432382027 /nfs/dbraw/zinc/38/20/27/432382027.db2.gz LJDYSJVRVZNAHE-MRXNPFEDSA-N 0 3 311.410 3.299 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000252692382 432385853 /nfs/dbraw/zinc/38/58/53/432385853.db2.gz BGRSMVCDEQPTIM-KXBFYZLASA-N 0 3 313.420 3.146 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000253146434 432388822 /nfs/dbraw/zinc/38/88/22/432388822.db2.gz KAMCNUUHTYCULU-FHWLQOOXSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(CNCc1cc(OC)ccc1OCOC)c1ccccc1 ZINC000271244532 432360442 /nfs/dbraw/zinc/36/04/42/432360442.db2.gz VGVMFTLEUHIYDV-UHFFFAOYSA-N 0 3 313.397 3.481 20 30 DGEDHN COc1cc([C@H](C)NCCC(C)(C)C#N)cc(OC)c1OC ZINC000271984966 432433770 /nfs/dbraw/zinc/43/37/70/432433770.db2.gz CJHHFIHIFGBFMR-LBPRGKRZSA-N 0 3 306.406 3.303 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000193072541 432445165 /nfs/dbraw/zinc/44/51/65/432445165.db2.gz RCQYKLRDMZPYDQ-DLBZAZTESA-N 0 3 312.461 3.241 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CO[C@@H]2CCCC[C@H]2CC)CC1 ZINC000184984782 432452576 /nfs/dbraw/zinc/45/25/76/432452576.db2.gz AVBJONWIQUNFOX-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(N2CCOC2=O)cc1 ZINC000192743486 432409654 /nfs/dbraw/zinc/40/96/54/432409654.db2.gz WOZACINQMQQLHB-DZKIICNBSA-N 0 3 313.401 3.376 20 30 DGEDHN C=CCOc1ccc(COC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000192832907 432419556 /nfs/dbraw/zinc/41/95/56/432419556.db2.gz WGHJGEQZWBKHIU-UHFFFAOYSA-N 0 3 315.413 3.169 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccccc1F)CCc1ccco1 ZINC000272274256 432475266 /nfs/dbraw/zinc/47/52/66/432475266.db2.gz LXXCTFKSNXEFLV-UHFFFAOYSA-N 0 3 316.376 3.478 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000176055046 432489766 /nfs/dbraw/zinc/48/97/66/432489766.db2.gz FZTWKLMGGQPOKJ-GJZGRUSLSA-N 0 3 307.482 3.151 20 30 DGEDHN CC#CCCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000185089453 432464895 /nfs/dbraw/zinc/46/48/95/432464895.db2.gz SAGBRCDHJUFVGN-UHFFFAOYSA-N 0 3 312.457 3.133 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000185748022 432530750 /nfs/dbraw/zinc/53/07/50/432530750.db2.gz WRLQVAOXEHYNHX-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN CC[C@@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)N(CC)CC ZINC000272703705 432533054 /nfs/dbraw/zinc/53/30/54/432533054.db2.gz QEOJPXSBJJYAIR-ZFWWWQNUSA-N 0 3 303.406 3.036 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2OCC)CC1 ZINC000155003034 432533927 /nfs/dbraw/zinc/53/39/27/432533927.db2.gz JDZIVEACZORDBT-UHFFFAOYSA-N 0 3 320.820 3.022 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC000176575047 432535082 /nfs/dbraw/zinc/53/50/82/432535082.db2.gz FIDAPYINJGXTNS-UHFFFAOYSA-N 0 3 312.457 3.166 20 30 DGEDHN CC(C)NC(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185882083 432542016 /nfs/dbraw/zinc/54/20/16/432542016.db2.gz IWQBTRCWHDFERB-WBVHZDCISA-N 0 3 314.433 3.388 20 30 DGEDHN C=CCc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)cc(OC)c1O ZINC000273068728 432546643 /nfs/dbraw/zinc/54/66/43/432546643.db2.gz GPQVBUYGGLSCAL-RTBURBONSA-N 0 3 317.429 3.177 20 30 DGEDHN C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000185944360 432547603 /nfs/dbraw/zinc/54/76/03/432547603.db2.gz UXODTHGJEKTTGM-KBXCAEBGSA-N 0 3 322.412 3.371 20 30 DGEDHN C[C@@H](c1ccccn1)N1CCCN(c2ccccc2C#N)CC1 ZINC000177277937 432606856 /nfs/dbraw/zinc/60/68/56/432606856.db2.gz UNKJYOFJBZBEPD-INIZCTEOSA-N 0 3 306.413 3.227 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000176951427 432568849 /nfs/dbraw/zinc/56/88/49/432568849.db2.gz CDFIPHOLJBSONP-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN N#Cc1ccc(CNCCc2nc(C(F)(F)F)cs2)s1 ZINC000176979314 432573082 /nfs/dbraw/zinc/57/30/82/432573082.db2.gz HQYRCTGASDITPS-UHFFFAOYSA-N 0 3 317.361 3.427 20 30 DGEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000263757248 432574518 /nfs/dbraw/zinc/57/45/18/432574518.db2.gz HKWBYYIJIHDRLA-HNNXBMFYSA-N 0 3 300.793 3.321 20 30 DGEDHN Cc1cc(C#N)ccc1CNC(C)(C)C(=O)NCC1CCCC1 ZINC000186316306 432580520 /nfs/dbraw/zinc/58/05/20/432580520.db2.gz BOWIPUWEUYNOPJ-UHFFFAOYSA-N 0 3 313.445 3.041 20 30 DGEDHN Cc1ccccc1OCCN(C)Cc1ccc(OCC#N)cc1 ZINC000264147931 432619988 /nfs/dbraw/zinc/61/99/88/432619988.db2.gz PQNWHZSUZOSICZ-UHFFFAOYSA-N 0 3 310.397 3.408 20 30 DGEDHN CCN(CC)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000264304604 432634717 /nfs/dbraw/zinc/63/47/17/432634717.db2.gz APRQHGAUEJFWNP-GFCCVEGCSA-N 0 3 314.216 3.016 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000264367146 432640787 /nfs/dbraw/zinc/64/07/87/432640787.db2.gz PYXSBSUSIYVYMG-HNNXBMFYSA-N 0 3 319.474 3.245 20 30 DGEDHN N#Cc1csc(CNCc2ccc(Cn3cccn3)cc2)c1 ZINC000177682398 432649960 /nfs/dbraw/zinc/64/99/60/432649960.db2.gz ASICGMJBFFWSSI-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN COc1cccc(OCCCNCc2cc(C#N)cs2)c1 ZINC000177704262 432651899 /nfs/dbraw/zinc/65/18/99/432651899.db2.gz SPPPXCGARHTEFN-UHFFFAOYSA-N 0 3 302.399 3.187 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000177702007 432652548 /nfs/dbraw/zinc/65/25/48/432652548.db2.gz KKVMRHNNTLMORN-CYBMUJFWSA-N 0 3 321.446 3.109 20 30 DGEDHN C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000265105402 432666890 /nfs/dbraw/zinc/66/68/90/432666890.db2.gz AAQSWVCKGYCKRT-KDOFPFPSSA-N 0 3 305.381 3.014 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@@H](C)C1 ZINC000187970773 432697489 /nfs/dbraw/zinc/69/74/89/432697489.db2.gz WOTJPILYLXGAPU-SJORKVTESA-N 0 3 313.445 3.444 20 30 DGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000160146528 432708873 /nfs/dbraw/zinc/70/88/73/432708873.db2.gz NWVITRYLGUUKBN-VIFPVBQESA-N 0 3 309.753 3.490 20 30 DGEDHN C=C(C)[C@@H](NCCCc1nc(C)no1)c1ccc(F)c(F)c1 ZINC000274841695 432715778 /nfs/dbraw/zinc/71/57/78/432715778.db2.gz CZMCWVBPBWMNTH-MRXNPFEDSA-N 0 3 307.344 3.496 20 30 DGEDHN C=CCN1CCC(N[C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000177911819 432672210 /nfs/dbraw/zinc/67/22/10/432672210.db2.gz JEIVGQXNYYLYOE-AWEZNQCLSA-N 0 3 304.434 3.005 20 30 DGEDHN C[C@@H]1C[C@@H](CN2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000495902957 288504556 /nfs/dbraw/zinc/50/45/56/288504556.db2.gz LADRFMXMOTYYQX-ZBFHGGJFSA-N 0 3 321.465 3.258 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1 ZINC000265254810 432681026 /nfs/dbraw/zinc/68/10/26/432681026.db2.gz PLVFGXFVCBNZNP-IFXJQAMLSA-N 0 3 313.372 3.049 20 30 DGEDHN C=C(C)[C@H](NC[C@@H](O)COCC(C)C)c1ccc(F)c(F)c1 ZINC000187762491 432683309 /nfs/dbraw/zinc/68/33/09/432683309.db2.gz AUNZHMLZXQVMHF-PBHICJAKSA-N 0 3 313.388 3.205 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)OCC ZINC000274600617 432687319 /nfs/dbraw/zinc/68/73/19/432687319.db2.gz HOCVPKTXXIXHHY-HHXXYDBFSA-N 0 3 318.461 3.165 20 30 DGEDHN C=CCCCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000274600261 432687768 /nfs/dbraw/zinc/68/77/68/432687768.db2.gz PMSUTRASLCIPOX-UHFFFAOYSA-N 0 3 315.461 3.307 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000189093606 432763944 /nfs/dbraw/zinc/76/39/44/432763944.db2.gz RKWKVFBVZLICLC-RTBURBONSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000276022611 432768043 /nfs/dbraw/zinc/76/80/43/432768043.db2.gz CJQFQUIGDBZHOL-SJLPKXTDSA-N 0 3 315.461 3.115 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000189215480 432770309 /nfs/dbraw/zinc/77/03/09/432770309.db2.gz PWAGSBNCWUIDCA-KVSKMBFKSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000188719843 432742285 /nfs/dbraw/zinc/74/22/85/432742285.db2.gz KAMCNUUHTYCULU-QYZOEREBSA-N 0 3 312.457 3.289 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cccc(C#N)n1 ZINC000267188489 432820206 /nfs/dbraw/zinc/82/02/06/432820206.db2.gz GXZDKWGQLUKIAA-QAPCUYQASA-N 0 3 306.413 3.276 20 30 DGEDHN N#CCOc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000267766197 432837415 /nfs/dbraw/zinc/83/74/15/432837415.db2.gz RMYWMXPQKRRZCY-SJORKVTESA-N 0 3 302.443 3.449 20 30 DGEDHN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000276368758 432800536 /nfs/dbraw/zinc/80/05/36/432800536.db2.gz GSLGRLPOQIZQLE-OAHLLOKOSA-N 0 3 301.434 3.122 20 30 DGEDHN CC[C@]1(CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000189686543 432810495 /nfs/dbraw/zinc/81/04/95/432810495.db2.gz OCPHVGDSLFRYNR-MRXNPFEDSA-N 0 3 311.347 3.294 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc3sccc3c2)CC1 ZINC000268381486 432866826 /nfs/dbraw/zinc/86/68/26/432866826.db2.gz JONFUVVFHOQHLV-UHFFFAOYSA-N 0 3 300.427 3.282 20 30 DGEDHN Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330001758 432887820 /nfs/dbraw/zinc/88/78/20/432887820.db2.gz ANPIXADHKLHFDO-LBPRGKRZSA-N 0 3 305.422 3.137 20 30 DGEDHN O=C(NC1CCC(C(=O)NCCN2CCCCC2)CC1)C1CC1 ZINC000330025368 432888382 /nfs/dbraw/zinc/88/83/82/432888382.db2.gz KMICKOOHTSCTTE-UHFFFAOYSA-N 0 3 321.465 3.354 20 30 DGEDHN Cc1nc(CC2CC2)oc1C(=O)NCCN1CCCC[C@H]1C ZINC000330016990 432889190 /nfs/dbraw/zinc/88/91/90/432889190.db2.gz QKNXVHXAGPBVJP-GFCCVEGCSA-N 0 3 305.422 3.115 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000288494680 432893814 /nfs/dbraw/zinc/89/38/14/432893814.db2.gz HLXHLLCVSKQRBR-UZLBHIALSA-N 0 3 309.409 3.300 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000245687930 432856085 /nfs/dbraw/zinc/85/60/85/432856085.db2.gz OCCBETGRRIBOAG-KGLIPLIRSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000245724435 432858860 /nfs/dbraw/zinc/85/88/60/432858860.db2.gz DQDJKTXGDNSWMZ-MDZRGWNJSA-N 0 3 324.428 3.257 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000245724426 432859023 /nfs/dbraw/zinc/85/90/23/432859023.db2.gz DQDJKTXGDNSWMZ-GPMSIDNRSA-N 0 3 324.428 3.257 20 30 DGEDHN COC(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2Cl)CC1 ZINC000279048094 432929500 /nfs/dbraw/zinc/92/95/00/432929500.db2.gz JYGPBKMEOCREOU-NSHDSACASA-N 0 3 321.808 3.093 20 30 DGEDHN CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330189788 432896411 /nfs/dbraw/zinc/89/64/11/432896411.db2.gz MBBMFYSHUAOFJS-OWCLPIDISA-N 0 3 318.465 3.306 20 30 DGEDHN CC(C)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330189788 432896414 /nfs/dbraw/zinc/89/64/14/432896414.db2.gz MBBMFYSHUAOFJS-OWCLPIDISA-N 0 3 318.465 3.306 20 30 DGEDHN CC(=O)Nc1ncccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000330210113 432897699 /nfs/dbraw/zinc/89/76/99/432897699.db2.gz CDZWIYBRUHIPLD-UHFFFAOYSA-N 0 3 302.378 3.152 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000278707703 432898777 /nfs/dbraw/zinc/89/87/77/432898777.db2.gz LIWYDPNGJAPLPO-NEPJUHHUSA-N 0 3 313.323 3.151 20 30 DGEDHN CCc1ccccc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330249300 432899817 /nfs/dbraw/zinc/89/98/17/432899817.db2.gz ZTLJVQIUKRUCTQ-AFAVFJNCSA-N 0 3 302.418 3.383 20 30 DGEDHN Cc1cc(CCNC(=O)[C@@H]2CCCN2C2CC2)cc(C)c1O ZINC000330241431 432900195 /nfs/dbraw/zinc/90/01/95/432900195.db2.gz WEOXNKHNVBKQIW-INIZCTEOSA-N 0 3 302.418 3.135 20 30 DGEDHN CCCC1CCC([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330265161 432901002 /nfs/dbraw/zinc/90/10/02/432901002.db2.gz YVVNQKRVSSQZMZ-YMAMQOFZSA-N 0 3 304.438 3.060 20 30 DGEDHN CCCC1CCC(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330265161 432901003 /nfs/dbraw/zinc/90/10/03/432901003.db2.gz YVVNQKRVSSQZMZ-YMAMQOFZSA-N 0 3 304.438 3.060 20 30 DGEDHN Cc1noc(C)c1C(C)(C)C(=O)NC1CCN(C2CC2)CC1 ZINC000330307608 432903295 /nfs/dbraw/zinc/90/32/95/432903295.db2.gz SHMMWCRRABRJKW-UHFFFAOYSA-N 0 3 305.422 3.152 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000330445152 432910368 /nfs/dbraw/zinc/91/03/68/432910368.db2.gz CWNZJDMMJMUVFS-CYBMUJFWSA-N 0 3 320.393 3.041 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2ccc(C#N)cc2)[C@@]12CCCO2 ZINC000278881891 432912615 /nfs/dbraw/zinc/91/26/15/432912615.db2.gz XYLOGEPSMJFBSS-HCXYKTFWSA-N 0 3 314.429 3.326 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2ccc(C#N)cc2)[C@]12CCCO2 ZINC000278881888 432912738 /nfs/dbraw/zinc/91/27/38/432912738.db2.gz XYLOGEPSMJFBSS-FCGDIQPGSA-N 0 3 314.429 3.326 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000289751729 432972545 /nfs/dbraw/zinc/97/25/45/432972545.db2.gz HQFPOFQMXKDTBN-IEBWSBKVSA-N 0 3 315.461 3.199 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000279477893 432974036 /nfs/dbraw/zinc/97/40/36/432974036.db2.gz QJKZPQLJXDUSCZ-CQSZACIVSA-N 0 3 301.434 3.172 20 30 DGEDHN C#Cc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000290085488 432989111 /nfs/dbraw/zinc/98/91/11/432989111.db2.gz QWGLCNSKCJCHCY-FQEVSTJZSA-N 0 3 313.441 3.218 20 30 DGEDHN CC(C)(C#N)c1ccc(C(=O)NCCN2CCCCCC2)cc1 ZINC000279786111 432992321 /nfs/dbraw/zinc/99/23/21/432992321.db2.gz BHPJKPFTAHAVAV-UHFFFAOYSA-N 0 3 313.445 3.094 20 30 DGEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000279810135 432993381 /nfs/dbraw/zinc/99/33/81/432993381.db2.gz XEPCLDVCMOSQAT-KXBFYZLASA-N 0 3 310.397 3.455 20 30 DGEDHN CN(CCOc1cccc(C#N)c1)CCN(C)c1ccccc1 ZINC000341222323 432995974 /nfs/dbraw/zinc/99/59/74/432995974.db2.gz CBCYHCCCWYXFFE-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN COc1ccc([C@H](CN(C)C)NCc2cc(C#N)cs2)cc1 ZINC000341225906 432997614 /nfs/dbraw/zinc/99/76/14/432997614.db2.gz FTHZVOXIWRLHFB-KRWDZBQOSA-N 0 3 315.442 3.021 20 30 DGEDHN C#C[C@H](NCc1ccc(OC)c(OCCCC#N)c1)C(C)C ZINC000289391811 432954369 /nfs/dbraw/zinc/95/43/69/432954369.db2.gz NQXAHUJTJSAYPN-INIZCTEOSA-N 0 3 300.402 3.125 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H]4CCC[C@H]43)o2)c1 ZINC000333054943 433030180 /nfs/dbraw/zinc/03/01/80/433030180.db2.gz HNSWHADQKDSDJI-GDBMZVCRSA-N 0 3 308.385 3.373 20 30 DGEDHN CC[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(C#N)cc1 ZINC000290444108 433054179 /nfs/dbraw/zinc/05/41/79/433054179.db2.gz VQPOBZDOHDCCQL-YQVWRLOYSA-N 0 3 308.381 3.094 20 30 DGEDHN C[C@H]1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000280532413 433074327 /nfs/dbraw/zinc/07/43/27/433074327.db2.gz SMYKBUBXDIHMCW-CPUCHLNUSA-N 0 3 309.413 3.181 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)nc2ccccn21 ZINC000280529124 433074450 /nfs/dbraw/zinc/07/44/50/433074450.db2.gz BTAWXQGWQJXVEA-DOMZBBRYSA-N 0 3 305.809 3.059 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000290527953 433083932 /nfs/dbraw/zinc/08/39/32/433083932.db2.gz NRENNDPHBNDIAI-OAHLLOKOSA-N 0 3 316.386 3.243 20 30 DGEDHN CN(Cc1ccc(O)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000290537970 433088172 /nfs/dbraw/zinc/08/81/72/433088172.db2.gz RBBHRCPNSQHORW-UHFFFAOYSA-N 0 3 309.413 3.374 20 30 DGEDHN CC[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280567265 433088789 /nfs/dbraw/zinc/08/87/89/433088789.db2.gz VHPNHKBGGLACIH-ZTFGCOKTSA-N 0 3 309.413 3.326 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(Br)cc1F ZINC000446924451 433128461 /nfs/dbraw/zinc/12/84/61/433128461.db2.gz GPEBKFIPUNVAMU-QWRGUYRKSA-N 0 3 316.214 3.423 20 30 DGEDHN N#Cc1ncccc1NCC1CCN(Cc2cccs2)CC1 ZINC000290692172 433140878 /nfs/dbraw/zinc/14/08/78/433140878.db2.gz UQGKAJRANHDOHO-UHFFFAOYSA-N 0 3 312.442 3.339 20 30 DGEDHN Cc1cccc(CC2(O)CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000373467530 433153611 /nfs/dbraw/zinc/15/36/11/433153611.db2.gz GTLQIKMDIMGYAJ-UHFFFAOYSA-N 0 3 320.436 3.436 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000453338652 433102834 /nfs/dbraw/zinc/10/28/34/433102834.db2.gz BFLSIZSKEJEQFI-XKQJLSEDSA-N 0 3 317.433 3.211 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000453346904 433108831 /nfs/dbraw/zinc/10/88/31/433108831.db2.gz KJCUXDNCZQLGCE-QGTPRVQTSA-N 0 3 314.429 3.198 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2cc(Cl)ccc2n1C ZINC000280621842 433112090 /nfs/dbraw/zinc/11/20/90/433112090.db2.gz LCOACISLXOZPSC-YVEFUNNKSA-N 0 3 319.836 3.298 20 30 DGEDHN C=CCC[C@H](CC)NCc1ccc(S(=O)(=O)CC)s1 ZINC000280639211 433119432 /nfs/dbraw/zinc/11/94/32/433119432.db2.gz RBLYACPBNQAQMP-LBPRGKRZSA-N 0 3 301.477 3.376 20 30 DGEDHN C#CCSCCNCc1c(C)nc2scc(C3CC3)n12 ZINC000298399426 433120449 /nfs/dbraw/zinc/12/04/49/433120449.db2.gz LRRUJNQQJCUZSK-UHFFFAOYSA-N 0 3 305.472 3.038 20 30 DGEDHN CN(CC(C)(C)C#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412359988 433172588 /nfs/dbraw/zinc/17/25/88/433172588.db2.gz IUQAMACHNAWLGC-UHFFFAOYSA-N 0 3 313.445 3.294 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cccnc1C#N ZINC000290806440 433174056 /nfs/dbraw/zinc/17/40/56/433174056.db2.gz QNXQIEUSIIDDFQ-NVXWUHKLSA-N 0 3 306.413 3.276 20 30 DGEDHN N#CC1(CCCN2CCS[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000374099990 433174980 /nfs/dbraw/zinc/17/49/80/433174980.db2.gz QJTMDRRXHQMUPZ-JKSUJKDBSA-N 0 3 308.491 3.447 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000280799482 433175398 /nfs/dbraw/zinc/17/53/98/433175398.db2.gz SCIATINNJWXZIN-BDJLRTHQSA-N 0 3 311.809 3.125 20 30 DGEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374179456 433180207 /nfs/dbraw/zinc/18/02/07/433180207.db2.gz TUCXJJOQLLLCAR-YXCITZCRSA-N 0 3 302.256 3.157 20 30 DGEDHN C=CCC(F)(F)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000298580512 433186082 /nfs/dbraw/zinc/18/60/82/433186082.db2.gz ICYSXVJDVACNEJ-GDBMZVCRSA-N 0 3 320.383 3.341 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000374305917 433186307 /nfs/dbraw/zinc/18/63/07/433186307.db2.gz AXBSWOACHFFNHC-UHFFFAOYSA-N 0 3 323.444 3.139 20 30 DGEDHN CC(C)(CC#N)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412416313 433195877 /nfs/dbraw/zinc/19/58/77/433195877.db2.gz IYLJPECYCLLQDC-UHFFFAOYSA-N 0 3 313.445 3.342 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)s1 ZINC000425366863 433206760 /nfs/dbraw/zinc/20/67/60/433206760.db2.gz APLPKWGBXZEFEB-MRXNPFEDSA-N 0 3 302.443 3.401 20 30 DGEDHN C[C@H](CCC#N)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000298698818 433217501 /nfs/dbraw/zinc/21/75/01/433217501.db2.gz SWINHGYKBZSTNX-CYBMUJFWSA-N 0 3 318.396 3.104 20 30 DGEDHN CC[C@H](NCc1ccccc1OCCO)c1ccc(C#N)cc1 ZINC000447542332 433222721 /nfs/dbraw/zinc/22/27/21/433222721.db2.gz IWSZIVWRGNLCKC-SFHVURJKSA-N 0 3 310.397 3.170 20 30 DGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)N(C)C ZINC000298777920 433245858 /nfs/dbraw/zinc/24/58/58/433245858.db2.gz DKFDWSNRJZSZJG-NEPJUHHUSA-N 0 3 314.216 3.014 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1F)C1(CO)CCCC1 ZINC000453624158 433246038 /nfs/dbraw/zinc/24/60/38/433246038.db2.gz XKCFEJLLGFMPON-QGZVFWFLSA-N 0 3 304.409 3.364 20 30 DGEDHN Cc1cc(NC[C@@H](C)N2CCc3ccccc3C2)cc(C#N)n1 ZINC000341742537 433246687 /nfs/dbraw/zinc/24/66/87/433246687.db2.gz FQRNXYDMLFLFFY-OAHLLOKOSA-N 0 3 306.413 3.120 20 30 DGEDHN CCN1CCCC[C@@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000413140179 433257635 /nfs/dbraw/zinc/25/76/35/433257635.db2.gz IRTOKYROQKNESX-GFCCVEGCSA-N 0 3 312.339 3.258 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C3CCCC3)C2)CC1 ZINC000420793163 433258269 /nfs/dbraw/zinc/25/82/69/433258269.db2.gz QILBGCIYKKNFJY-QGZVFWFLSA-N 0 3 319.493 3.249 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(OC)c1 ZINC000298875951 433266773 /nfs/dbraw/zinc/26/67/73/433266773.db2.gz LYIAFRCVRSLYJB-GJZGRUSLSA-N 0 3 304.434 3.159 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H]1OCCc2sccc21 ZINC000291713744 433323816 /nfs/dbraw/zinc/32/38/16/433323816.db2.gz LPRAQBRCKPQMFM-ZUZCIYMTSA-N 0 3 304.440 3.473 20 30 DGEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000361595050 433274782 /nfs/dbraw/zinc/27/47/82/433274782.db2.gz SCPCQXHLHFYXLL-YVEFUNNKSA-N 0 3 317.820 3.416 20 30 DGEDHN Cc1ccc2ncc(C#N)c(NC3CCN(C4CC4)CC3)c2c1 ZINC000291573978 433276274 /nfs/dbraw/zinc/27/62/74/433276274.db2.gz FEWDCJLPNKVAIE-UHFFFAOYSA-N 0 3 306.413 3.454 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291602107 433283108 /nfs/dbraw/zinc/28/31/08/433283108.db2.gz BXCQAUHULLOMCN-OXQOHEQNSA-N 0 3 306.409 3.255 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000281337400 433288823 /nfs/dbraw/zinc/28/88/23/433288823.db2.gz LSDFWDQDCZLIQG-AWEZNQCLSA-N 0 3 309.479 3.176 20 30 DGEDHN CN1CC[C@@H]2CCN(c3ccc(C(F)(F)F)cc3C#N)[C@H]2C1 ZINC000374856496 433294084 /nfs/dbraw/zinc/29/40/84/433294084.db2.gz LIONVYIEVAOCJJ-ABAIWWIYSA-N 0 3 309.335 3.107 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000425543589 433294774 /nfs/dbraw/zinc/29/47/74/433294774.db2.gz RZWRUAYMOCJHGB-KRWDZBQOSA-N 0 3 300.446 3.322 20 30 DGEDHN CC[C@@H]1CCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447849890 433297651 /nfs/dbraw/zinc/29/76/51/433297651.db2.gz KCIRHDIFXKNITJ-SJLPKXTDSA-N 0 3 311.429 3.318 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](C)c2cc3ccccc3s2)C1=O ZINC000281403474 433298316 /nfs/dbraw/zinc/29/83/16/433298316.db2.gz QQYREHOVAYUKCR-OCCSQVGLSA-N 0 3 300.427 3.339 20 30 DGEDHN CN(C1CCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447850249 433298389 /nfs/dbraw/zinc/29/83/89/433298389.db2.gz LSEZCADETYGWID-GOSISDBHSA-N 0 3 311.429 3.318 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413899962 433309810 /nfs/dbraw/zinc/30/98/10/433309810.db2.gz JPZXOIDHYVOTSG-CYBMUJFWSA-N 0 3 308.397 3.307 20 30 DGEDHN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C(C)C#N ZINC000414012426 433350825 /nfs/dbraw/zinc/35/08/25/433350825.db2.gz FTTNUROTUOZTAF-ZIAGYGMSSA-N 0 3 315.417 3.029 20 30 DGEDHN COc1cc(CN[C@@H](CCCO)c2ccccc2)ccc1C#N ZINC000281700967 433351941 /nfs/dbraw/zinc/35/19/41/433351941.db2.gz NUOYJQWDEBTRHQ-SFHVURJKSA-N 0 3 310.397 3.170 20 30 DGEDHN COc1ccccc1COC1CCN([C@H](C)CCC#N)CC1 ZINC000299691522 433375714 /nfs/dbraw/zinc/37/57/14/433375714.db2.gz NWKYLOCFXDJTHE-OAHLLOKOSA-N 0 3 302.418 3.368 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC3(CCOCC3)CC2)cc1 ZINC000375323999 433429134 /nfs/dbraw/zinc/42/91/34/433429134.db2.gz NAEWJRXRCLWZEG-INIZCTEOSA-N 0 3 314.429 3.370 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C2=CCCC2)CC1 ZINC000454471070 433440138 /nfs/dbraw/zinc/44/01/38/433440138.db2.gz YDXZFKJTGBIIJW-UHFFFAOYSA-N 0 3 319.493 3.463 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000342061554 433441252 /nfs/dbraw/zinc/44/12/52/433441252.db2.gz UILMQAQKTNLNMO-HZPDHXFCSA-N 0 3 313.445 3.168 20 30 DGEDHN C=CCCOCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292071792 433448999 /nfs/dbraw/zinc/44/89/99/433448999.db2.gz HLMSZEOQXNKTEP-MAUKXSAKSA-N 0 3 307.409 3.476 20 30 DGEDHN C=CCC[C@@H](NCc1cc(C)nc(N2CCCC2)n1)C1CC1 ZINC000426337341 433467046 /nfs/dbraw/zinc/46/70/46/433467046.db2.gz ZLHHPWXUWBLFRP-QGZVFWFLSA-N 0 3 300.450 3.220 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)[nH]c1C)c1ccccc1 ZINC000448641581 433471838 /nfs/dbraw/zinc/47/18/38/433471838.db2.gz XVUQCAOLANACTN-SFHVURJKSA-N 0 3 324.428 3.008 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245799600 290221814 /nfs/dbraw/zinc/22/18/14/290221814.db2.gz PBLUPKOJQNPFPO-BJZITVGISA-N 0 3 323.440 3.095 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC[C@@H]2CC)CC1 ZINC000454536035 433469867 /nfs/dbraw/zinc/46/98/67/433469867.db2.gz GEKRXCBRZBWEEB-JKSUJKDBSA-N 0 3 307.482 3.152 20 30 DGEDHN COCC[C@H](Cc1ccco1)NCc1ccc(C#N)c(F)c1 ZINC000421338246 433485131 /nfs/dbraw/zinc/48/51/31/433485131.db2.gz DTPNSWZREHDUMA-OAHLLOKOSA-N 0 3 302.349 3.028 20 30 DGEDHN COc1ccc(OC)c(CCNCc2ccc(C#N)c(F)c2)c1 ZINC000421330255 433481091 /nfs/dbraw/zinc/48/10/91/433481091.db2.gz WVYUMECZMUHVAW-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1Cl ZINC000426525302 433523147 /nfs/dbraw/zinc/52/31/47/433523147.db2.gz RVPQPCNUKAATSK-KRWDZBQOSA-N 0 3 307.821 3.252 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000426546833 433526355 /nfs/dbraw/zinc/52/63/55/433526355.db2.gz CAAWOKSSHHJNRP-GDBMZVCRSA-N 0 3 303.402 3.167 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)Cc1ccc(C#N)c(F)c1 ZINC000421384479 433526637 /nfs/dbraw/zinc/52/66/37/433526637.db2.gz OZKMZEUBQHTYEL-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN CCOc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292270783 433532890 /nfs/dbraw/zinc/53/28/90/433532890.db2.gz SDRCXFGKJPXMDO-SFHVURJKSA-N 0 3 323.396 3.005 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000421346198 433488967 /nfs/dbraw/zinc/48/89/67/433488967.db2.gz YOEFCZMZYQYKPP-HNNXBMFYSA-N 0 3 303.406 3.151 20 30 DGEDHN CN(C)Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1F ZINC000421344930 433489100 /nfs/dbraw/zinc/48/91/00/433489100.db2.gz VGRVWNXDZDDLIE-UHFFFAOYSA-N 0 3 315.367 3.188 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3)C2)cc1F ZINC000421361990 433504943 /nfs/dbraw/zinc/50/49/43/433504943.db2.gz HYRWZKFOBRCSKY-KRWDZBQOSA-N 0 3 309.388 3.456 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000456006981 433562011 /nfs/dbraw/zinc/56/20/11/433562011.db2.gz QYURSYKENRAQDO-HIFRSBDPSA-N 0 3 314.433 3.109 20 30 DGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCC[C@@H]1O ZINC000356407518 433572571 /nfs/dbraw/zinc/57/25/71/433572571.db2.gz HJUVWQAKLRWBKX-CABCVRRESA-N 0 3 312.335 3.312 20 30 DGEDHN CC(C)C1(C)CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000426739297 433580838 /nfs/dbraw/zinc/58/08/38/433580838.db2.gz BETZCRCLRZBHPB-INIZCTEOSA-N 0 3 319.493 3.476 20 30 DGEDHN CN(C)C[C@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000342221701 433545993 /nfs/dbraw/zinc/54/59/93/433545993.db2.gz HBEGCJREBKEEIT-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN CCc1nnc(N[C@@H](C)CN2CCC[C@H](C)C2)c(C#N)c1CC ZINC000301622992 433647434 /nfs/dbraw/zinc/64/74/34/433647434.db2.gz OHYSMLBJEDMDEQ-KBPBESRZSA-N 0 3 315.465 3.005 20 30 DGEDHN CN(c1ccc(C#N)nc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301526345 433594597 /nfs/dbraw/zinc/59/45/97/433594597.db2.gz GCPIALSJFGJCPB-IBGZPJMESA-N 0 3 306.413 3.054 20 30 DGEDHN N#CCCOCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000293089049 433612739 /nfs/dbraw/zinc/61/27/39/433612739.db2.gz MYCNPSJBBHPNDL-QGZVFWFLSA-N 0 3 322.836 3.016 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000301572813 433619842 /nfs/dbraw/zinc/61/98/42/433619842.db2.gz OULMTUJUYMJMIH-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN COc1ccc(CNC[C@@H](O)c2cc(C)cc(C)c2)cc1C#N ZINC000283091717 433662596 /nfs/dbraw/zinc/66/25/96/433662596.db2.gz WNWLMQXQSLGBLK-GOSISDBHSA-N 0 3 310.397 3.007 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCCN1CC ZINC000362391976 433687959 /nfs/dbraw/zinc/68/79/59/433687959.db2.gz ZVEGTSFLPCEBPB-CQSZACIVSA-N 0 3 304.459 3.179 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000362396829 433691412 /nfs/dbraw/zinc/69/14/12/433691412.db2.gz OXQVNNJCFZVOQP-CABCVRRESA-N 0 3 316.470 3.273 20 30 DGEDHN C[C@@H]1CN(CCCCNc2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000301726192 433697115 /nfs/dbraw/zinc/69/71/15/433697115.db2.gz QBKNSOKTESUEST-BETUJISGSA-N 0 3 323.387 3.138 20 30 DGEDHN C=CCCOCCN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000283420629 433719756 /nfs/dbraw/zinc/71/97/56/433719756.db2.gz RPASDOMPNYTDMH-QZTJIDSGSA-N 0 3 317.429 3.351 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000293393579 433726102 /nfs/dbraw/zinc/72/61/02/433726102.db2.gz GZUFPCTVRGUKIC-ZDUSSCGKSA-N 0 3 316.417 3.459 20 30 DGEDHN C=C(C)CN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301796691 433728307 /nfs/dbraw/zinc/72/83/07/433728307.db2.gz QSABWTLRIBNQEL-UHFFFAOYSA-N 0 3 311.332 3.325 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NCc1ccc(C#N)cc1F ZINC000449384590 433737086 /nfs/dbraw/zinc/73/70/86/433737086.db2.gz NPMMMTSJSGZPEA-KRWDZBQOSA-N 0 3 303.425 3.297 20 30 DGEDHN CC(C)SCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000283520265 433740295 /nfs/dbraw/zinc/74/02/95/433740295.db2.gz LNZGXKOIARMINW-UHFFFAOYSA-N 0 3 317.502 3.208 20 30 DGEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)N1C ZINC000293478849 433753877 /nfs/dbraw/zinc/75/38/77/433753877.db2.gz RQMYLRVHPMPDGO-OKILXGFUSA-N 0 3 310.363 3.081 20 30 DGEDHN C=CCc1cc(CN2CCCC[C@H]2COC)cc(OC)c1O ZINC000449756593 433769006 /nfs/dbraw/zinc/76/90/06/433769006.db2.gz BMVSHTPTCMHIDP-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN CC1CCN([C@H](CNc2ccc(C#N)nn2)c2ccccc2)CC1 ZINC000301894828 433782219 /nfs/dbraw/zinc/78/22/19/433782219.db2.gz BEMQOKSUSBVUDI-GOSISDBHSA-N 0 3 321.428 3.233 20 30 DGEDHN CCC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1CCOC ZINC000301916410 433793967 /nfs/dbraw/zinc/79/39/67/433793967.db2.gz JBOFRJYPXYTUCJ-MRXNPFEDSA-N 0 3 321.852 3.149 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(C)nc3c2CCCC3)CC1 ZINC000302056411 433814524 /nfs/dbraw/zinc/81/45/24/433814524.db2.gz QQMIBSNMYBBNQA-UHFFFAOYSA-N 0 3 300.450 3.116 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](CC)O1 ZINC000421988200 433832728 /nfs/dbraw/zinc/83/27/28/433832728.db2.gz UUKHYKBEANEGAO-KURKYZTESA-N 0 3 314.429 3.175 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCC(C(C)C)CC1 ZINC000433179502 433840110 /nfs/dbraw/zinc/84/01/10/433840110.db2.gz FKSITXVOPQNVKJ-GTPINHCMSA-N 0 3 307.482 3.141 20 30 DGEDHN C=C(CC)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000456811968 433840398 /nfs/dbraw/zinc/84/03/98/433840398.db2.gz LKYLWOHXBAKIEI-MRXNPFEDSA-N 0 3 322.399 3.226 20 30 DGEDHN CC#CCCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000376956758 433841692 /nfs/dbraw/zinc/84/16/92/433841692.db2.gz SVWNBZAWSASXAA-UHFFFAOYSA-N 0 3 312.457 3.223 20 30 DGEDHN C=CCCC[C@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436256494 433914000 /nfs/dbraw/zinc/91/40/00/433914000.db2.gz ACRLWRWUWWCIHQ-SXLOBPIMSA-N 0 3 314.473 3.316 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCN(CC2CCCCC2)CC1 ZINC000303184137 433923483 /nfs/dbraw/zinc/92/34/83/433923483.db2.gz KUTZXBQJQCOTBF-UHFFFAOYSA-N 0 3 315.436 3.395 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284391780 433894708 /nfs/dbraw/zinc/89/47/08/433894708.db2.gz PHCFMMSZXHWZJW-SFHVURJKSA-N 0 3 316.445 3.183 20 30 DGEDHN C=CCOCCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000293992857 433951971 /nfs/dbraw/zinc/95/19/71/433951971.db2.gz FOBKDVIIZKYLIG-CQSZACIVSA-N 0 3 311.223 3.087 20 30 DGEDHN COc1cc(CNCc2ccc3c(c2)CCCN3)ccc1C#N ZINC000414985681 433957389 /nfs/dbraw/zinc/95/73/89/433957389.db2.gz WNLACNCBRCVIBH-UHFFFAOYSA-N 0 3 307.397 3.215 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000294169241 434024538 /nfs/dbraw/zinc/02/45/38/434024538.db2.gz OKKCADWFZYFEAT-AZUAARDMSA-N 0 3 312.457 3.291 20 30 DGEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(NC(N)=O)cc1 ZINC000353262904 434070421 /nfs/dbraw/zinc/07/04/21/434070421.db2.gz DWIAJRBXCBEDLN-XIKOKIGWSA-N 0 3 320.396 3.387 20 30 DGEDHN C[NH+](C)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000436699922 434071126 /nfs/dbraw/zinc/07/11/26/434071126.db2.gz XHLMFAFBNCDQJY-OAHLLOKOSA-N 0 3 318.380 3.115 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(Br)s1 ZINC000309502775 434098414 /nfs/dbraw/zinc/09/84/14/434098414.db2.gz BGSPZHKSVDAXKJ-VHSXEESVSA-N 0 3 304.253 3.488 20 30 DGEDHN CN(c1cccnc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000357508822 434054467 /nfs/dbraw/zinc/05/44/67/434054467.db2.gz HZZVDVKOWDFGBC-QGZVFWFLSA-N 0 3 306.413 3.054 20 30 DGEDHN C=CCOc1ccccc1CN[C@H](C)c1ccc(CN)nc1C ZINC000422913260 434107002 /nfs/dbraw/zinc/10/70/02/434107002.db2.gz XZZBPVXAIDBJPT-CQSZACIVSA-N 0 3 311.429 3.264 20 30 DGEDHN Cc1cccc(CN(C)CCC(=O)Nc2sccc2C#N)c1 ZINC000340405126 434110816 /nfs/dbraw/zinc/11/08/16/434110816.db2.gz KBYCYMPVUBRBOH-UHFFFAOYSA-N 0 3 313.426 3.389 20 30 DGEDHN COCCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353406829 434114330 /nfs/dbraw/zinc/11/43/30/434114330.db2.gz ALTSKPDKZJTYLO-FQEVSTJZSA-N 0 3 322.408 3.361 20 30 DGEDHN Cn1cc(C(=O)NCCN2CCCC(C)(C)C2)c(C(C)(C)C)n1 ZINC000330957398 294195936 /nfs/dbraw/zinc/19/59/36/294195936.db2.gz IEBUOZXARDYKHC-UHFFFAOYSA-N 0 3 320.481 3.144 20 30 DGEDHN CCN(CC)[C@H](CNc1nc(C)cc(C#N)n1)c1ccsc1 ZINC000286000454 434133216 /nfs/dbraw/zinc/13/32/16/434133216.db2.gz DIFIHNAROBJSSY-OAHLLOKOSA-N 0 3 315.446 3.213 20 30 DGEDHN C[C@@H](NCCn1cnc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000346134904 434142739 /nfs/dbraw/zinc/14/27/39/434142739.db2.gz KLTSRJVPWZOJJV-CYBMUJFWSA-N 0 3 308.360 3.398 20 30 DGEDHN C=CCC(C)(C)CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000315154774 434160647 /nfs/dbraw/zinc/16/06/47/434160647.db2.gz HAKJIRNJZFGWIJ-AWEZNQCLSA-N 0 3 311.422 3.236 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000357754171 434164843 /nfs/dbraw/zinc/16/48/43/434164843.db2.gz YTQGYUDPIGNJPJ-SJORKVTESA-N 0 3 313.445 3.444 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000457450640 434177707 /nfs/dbraw/zinc/17/77/07/434177707.db2.gz HYLFUAGBWUZHAO-CQSZACIVSA-N 0 3 307.463 3.150 20 30 DGEDHN Cc1ccc(C#N)c(NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000286163744 434183005 /nfs/dbraw/zinc/18/30/05/434183005.db2.gz JRFFLRVSCSOZNT-OAHLLOKOSA-N 0 3 321.428 3.294 20 30 DGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(C#N)c1)N(C)C ZINC000357854558 434215542 /nfs/dbraw/zinc/21/55/42/434215542.db2.gz QOYMGHLPUOCSLD-KXBFYZLASA-N 0 3 321.424 3.288 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C(C)(C)C)CC1 ZINC000346256249 434240648 /nfs/dbraw/zinc/24/06/48/434240648.db2.gz YCXGAIBMMJRGKI-GJZGRUSLSA-N 0 3 305.466 3.086 20 30 DGEDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(C#N)c(OC)c1 ZINC000295177961 434241981 /nfs/dbraw/zinc/24/19/81/434241981.db2.gz VHJXQBBFJOFLIY-ZDUSSCGKSA-N 0 3 316.323 3.014 20 30 DGEDHN C[C@H](CCCNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000295174925 434242826 /nfs/dbraw/zinc/24/28/26/434242826.db2.gz UVFWDPRIIJLSAS-GFCCVEGCSA-N 0 3 323.462 3.403 20 30 DGEDHN C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CCN(C2CC2)C1 ZINC000450550980 434257840 /nfs/dbraw/zinc/25/78/40/434257840.db2.gz ZFVXTBOJPLIDTI-AWEZNQCLSA-N 0 3 306.413 3.027 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCC1 ZINC000364366715 434269486 /nfs/dbraw/zinc/26/94/86/434269486.db2.gz BVLCVOIXROELBZ-SFHVURJKSA-N 0 3 312.457 3.466 20 30 DGEDHN Cc1nc(N2CCN(Cc3ccccc3)C[C@H](C)C2)ccc1C#N ZINC000324126706 434272179 /nfs/dbraw/zinc/27/21/79/434272179.db2.gz JJMOAWOCXWSXCV-INIZCTEOSA-N 0 3 320.440 3.220 20 30 DGEDHN C=CCN1CC[C@H](N(C)c2ccnc3ccc(CC)cc32)C1=O ZINC000450499398 434230915 /nfs/dbraw/zinc/23/09/15/434230915.db2.gz KKRBMDFBFKOEBB-SFHVURJKSA-N 0 3 309.413 3.020 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000320267286 434238153 /nfs/dbraw/zinc/23/81/53/434238153.db2.gz LBTKUNSIHQVMOG-VHSXEESVSA-N 0 3 304.253 3.488 20 30 DGEDHN CC[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(N)=O ZINC000378617905 434239105 /nfs/dbraw/zinc/23/91/05/434239105.db2.gz BXHCKCLEIATEFI-ACJLOTCBSA-N 0 3 307.397 3.140 20 30 DGEDHN COC(=O)C[C@H](NCc1ccccc1C#N)C1CCCCC1 ZINC000347958516 434281785 /nfs/dbraw/zinc/28/17/85/434281785.db2.gz LCNIUBAQWTWCTM-KRWDZBQOSA-N 0 3 300.402 3.160 20 30 DGEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(CC2CCC2)CC1 ZINC000348332767 434290720 /nfs/dbraw/zinc/29/07/20/434290720.db2.gz WCBLNRFNUXVDAT-QGZVFWFLSA-N 0 3 303.837 3.322 20 30 DGEDHN O=C(CN[C@@H]1CCC12CCC2)N[C@H]1CCOc2ccccc21 ZINC000328648736 434291535 /nfs/dbraw/zinc/29/15/35/434291535.db2.gz IGTAIWDKWZMYMZ-GOEBONIOSA-N 0 3 300.402 3.389 20 30 DGEDHN Cc1cc2c[nH]nc2c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000328691831 434301310 /nfs/dbraw/zinc/30/13/10/434301310.db2.gz IYUMATZDOSMGMP-TZMCWYRMSA-N 0 3 314.433 3.296 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@H]2CCC(=O)NC23CCC3)c(F)c1 ZINC000328716352 434302104 /nfs/dbraw/zinc/30/21/04/434302104.db2.gz UANRQPRBHAVCMR-AWEZNQCLSA-N 0 3 319.380 3.353 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc2nc[nH]c2cc1F ZINC000329213286 434375874 /nfs/dbraw/zinc/37/58/74/434375874.db2.gz JDZZORIQXMAOMW-LBPRGKRZSA-N 0 3 318.396 3.271 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)ccc2OC)C1(C)C ZINC000438059162 434391896 /nfs/dbraw/zinc/39/18/96/434391896.db2.gz FCCFKIRXQACIBY-DLBZAZTESA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@@H](C(=O)NCc1ccccc1CN(C)C)c1cccc(C#N)c1 ZINC000359840465 434443831 /nfs/dbraw/zinc/44/38/31/434443831.db2.gz KCBGEZLIVJAYFK-OAHLLOKOSA-N 0 3 321.424 3.040 20 30 DGEDHN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC(=O)N1 ZINC000329433114 434410493 /nfs/dbraw/zinc/41/04/93/434410493.db2.gz LBWUUWJKYULXJR-DUFGSWQCSA-N 0 3 315.417 3.143 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1NCCc3ccccc31)CC2 ZINC000423416732 434415838 /nfs/dbraw/zinc/41/58/38/434415838.db2.gz FZJODGIDONCOCK-PMACEKPBSA-N 0 3 303.409 3.022 20 30 DGEDHN Cn1cc(CN[C@@H]2CCC[C@@H]2OCc2ccccc2)cc1C#N ZINC000359674939 434421849 /nfs/dbraw/zinc/42/18/49/434421849.db2.gz GOSFGYYPTNSDHJ-MOPGFXCFSA-N 0 3 309.413 3.124 20 30 DGEDHN C[C@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)cc1F ZINC000423446829 434427103 /nfs/dbraw/zinc/42/71/03/434427103.db2.gz ZEMFBYIDVLZYFS-ORAYPTAESA-N 0 3 309.388 3.235 20 30 DGEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H]1c1cccs1 ZINC000329542487 434430488 /nfs/dbraw/zinc/43/04/88/434430488.db2.gz DWRSZTRYQJXYHP-RISCZKNCSA-N 0 3 316.430 3.080 20 30 DGEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1c1cccs1 ZINC000329542487 434430497 /nfs/dbraw/zinc/43/04/97/434430497.db2.gz DWRSZTRYQJXYHP-RISCZKNCSA-N 0 3 316.430 3.080 20 30 DGEDHN CCN(Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1)C1CC1 ZINC000457989500 434431791 /nfs/dbraw/zinc/43/17/91/434431791.db2.gz OBHUCPWOBAFSQT-UHFFFAOYSA-N 0 3 313.445 3.341 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)NC1CCC(C)CC1 ZINC000329560981 434432070 /nfs/dbraw/zinc/43/20/70/434432070.db2.gz JBCFEYHBIBBSAK-XZOJQKSCSA-N 0 3 308.466 3.313 20 30 DGEDHN C[C@H]1C[C@H](Nc2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000287815782 434459773 /nfs/dbraw/zinc/45/97/73/434459773.db2.gz KKVCVUNOJHIWQF-MAUKXSAKSA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000353825796 434459799 /nfs/dbraw/zinc/45/97/99/434459799.db2.gz OYVPQSFCRISAHY-JLCFBVMHSA-N 0 3 312.438 3.288 20 30 DGEDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)NC1CC1 ZINC000329724115 434466403 /nfs/dbraw/zinc/46/64/03/434466403.db2.gz BMCAOPLHLYTWBZ-GUYCJALGSA-N 0 3 314.429 3.178 20 30 DGEDHN CC(C)N1CCCC[C@@H]1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000450885887 434457373 /nfs/dbraw/zinc/45/73/73/434457373.db2.gz VNSNMORBAFJMMS-QYZOEREBSA-N 0 3 319.493 3.177 20 30 DGEDHN Cc1cnc(CNC2CCC(Oc3ccccc3C#N)CC2)n1C ZINC000341052533 434512785 /nfs/dbraw/zinc/51/27/85/434512785.db2.gz SOLXZDKCRZFYOO-UHFFFAOYSA-N 0 3 324.428 3.080 20 30 DGEDHN COc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1C#N ZINC000348937843 434560779 /nfs/dbraw/zinc/56/07/79/434560779.db2.gz WGYSJUVMROHUTK-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000417906662 434546919 /nfs/dbraw/zinc/54/69/19/434546919.db2.gz COBNHMMEDRVJHD-ZOBUZTSGSA-N 0 3 301.434 3.086 20 30 DGEDHN Cc1nsc(N2CC[C@H](N(C)Cc3ccccc3)C2)c1C#N ZINC000367465607 434548894 /nfs/dbraw/zinc/54/88/94/434548894.db2.gz LRKVCLAFHNMBPZ-HNNXBMFYSA-N 0 3 312.442 3.034 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000369462068 434596392 /nfs/dbraw/zinc/59/63/92/434596392.db2.gz HZEPPHDOELXQBH-DNVCBOLYSA-N 0 3 323.396 3.026 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NC1(c2ccccc2)CCC1 ZINC000330272452 295389936 /nfs/dbraw/zinc/38/99/36/295389936.db2.gz XRLIACCEGKPBBR-SJLPKXTDSA-N 0 3 314.429 3.179 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1Cl ZINC000424074283 434614621 /nfs/dbraw/zinc/61/46/21/434614621.db2.gz GWHJQPHZCTZTSK-TVQRCGJNSA-N 0 3 314.216 3.192 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000424082189 434616629 /nfs/dbraw/zinc/61/66/29/434616629.db2.gz WEBZIYBWRWHMBF-LJQANCHMSA-N 0 3 321.424 3.237 20 30 DGEDHN CCC(CC)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424091235 434620840 /nfs/dbraw/zinc/62/08/40/434620840.db2.gz NVUKWRDAOFIAHQ-IRXDYDNUSA-N 0 3 301.434 3.301 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000424097855 434623160 /nfs/dbraw/zinc/62/31/60/434623160.db2.gz RWMHNUORFNJJMS-OAHLLOKOSA-N 0 3 324.384 3.179 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000424109360 434624216 /nfs/dbraw/zinc/62/42/16/434624216.db2.gz AENUFTHPTOOQCP-GOSISDBHSA-N 0 3 313.445 3.021 20 30 DGEDHN Cc1ccccc1-c1csc(NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424107943 434626245 /nfs/dbraw/zinc/62/62/45/434626245.db2.gz ZMPPCJDCFZEQCG-ZDUSSCGKSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424121055 434627191 /nfs/dbraw/zinc/62/71/91/434627191.db2.gz HXJHJALPMYSEPL-ZWKOTPCHSA-N 0 3 313.445 3.460 20 30 DGEDHN Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](N)CCCC#N)c1C ZINC000424132526 434630770 /nfs/dbraw/zinc/63/07/70/434630770.db2.gz YCJJHUOUGUZVLS-ZWKOTPCHSA-N 0 3 313.445 3.378 20 30 DGEDHN C=CCc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)cc(OC)c1O ZINC000459625683 434635363 /nfs/dbraw/zinc/63/53/63/434635363.db2.gz BADRXMCSSWHVKD-IYBDPMFKSA-N 0 3 305.418 3.175 20 30 DGEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418142379 434603849 /nfs/dbraw/zinc/60/38/49/434603849.db2.gz NDWNERIGJPZSKH-UONOGXRCSA-N 0 3 302.418 3.479 20 30 DGEDHN C=C(C)COc1cc(CN2CC([C@H]3CCOC3)C2)ccc1OC ZINC000369867787 434604158 /nfs/dbraw/zinc/60/41/58/434604158.db2.gz MBAFUKFINBIKCG-INIZCTEOSA-N 0 3 317.429 3.118 20 30 DGEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1Cl ZINC000439456697 434605946 /nfs/dbraw/zinc/60/59/46/434605946.db2.gz ZGLQSYIXVJCWHI-RHSMWYFYSA-N 0 3 320.820 3.423 20 30 DGEDHN C#CCCN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000371195431 434653893 /nfs/dbraw/zinc/65/38/93/434653893.db2.gz MDCITUHXJBYFJR-MRXNPFEDSA-N 0 3 306.450 3.121 20 30 DGEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000360644526 434656750 /nfs/dbraw/zinc/65/67/50/434656750.db2.gz AZZKISOVGLFKKR-GUYCJALGSA-N 0 3 313.445 3.219 20 30 DGEDHN CN1CCC(N(Cc2ccco2)Cc2cc(C#N)cs2)CC1 ZINC000349276506 434658210 /nfs/dbraw/zinc/65/82/10/434658210.db2.gz JUYGFKSVMPARRB-UHFFFAOYSA-N 0 3 315.442 3.309 20 30 DGEDHN C=CC1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502778 434667044 /nfs/dbraw/zinc/66/70/44/434667044.db2.gz VZMOHELTUOKCMZ-IBGZPJMESA-N 0 3 323.440 3.447 20 30 DGEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1ccccc1C(F)(F)F ZINC000439986791 434669903 /nfs/dbraw/zinc/66/99/03/434669903.db2.gz IRMCPPOPHVXXBW-WDEREUQCSA-N 0 3 314.307 3.139 20 30 DGEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC#N)[C@H]2CCCC[C@@H]12 ZINC000439985798 434671055 /nfs/dbraw/zinc/67/10/55/434671055.db2.gz VSUCFCHGAWZXMD-VIQHNZTISA-N 0 3 305.466 3.084 20 30 DGEDHN CCC[C@@H](C#N)N(C)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000410828617 434679631 /nfs/dbraw/zinc/67/96/31/434679631.db2.gz OFJRUTSTLHQDMY-ROUUACIJSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCn1cc(CN[C@H](C)Cc2cccc(C(F)(F)F)c2)nn1 ZINC000424297362 434683493 /nfs/dbraw/zinc/68/34/93/434683493.db2.gz QOUJFWFUYWKBBH-GFCCVEGCSA-N 0 3 324.350 3.204 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H]2CC(C)(C)CCc3ccccc32)C1=O ZINC000440649879 434730345 /nfs/dbraw/zinc/73/03/45/434730345.db2.gz SWEOPUAAPJWBMK-QZTJIDSGSA-N 0 3 312.457 3.467 20 30 DGEDHN Cc1ccc(CC(C)(C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000419338765 434776898 /nfs/dbraw/zinc/77/68/98/434776898.db2.gz SUUPVVZTASMIQV-UHFFFAOYSA-N 0 3 321.424 3.416 20 30 DGEDHN CC(C)N(CCC(=O)Nc1cccc(C#N)c1)Cc1cccnc1 ZINC000411404892 434777017 /nfs/dbraw/zinc/77/70/17/434777017.db2.gz BLZGDKWTMAJWQZ-UHFFFAOYSA-N 0 3 322.412 3.192 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1cccnc1 ZINC000411418899 434777545 /nfs/dbraw/zinc/77/75/45/434777545.db2.gz OCSMWKBJBAWZAE-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN Cc1ccc(C(C)(C)NCCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000411529400 434795438 /nfs/dbraw/zinc/79/54/38/434795438.db2.gz SRALVAPRQGKILX-UHFFFAOYSA-N 0 3 322.412 3.115 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000424754449 434796263 /nfs/dbraw/zinc/79/62/63/434796263.db2.gz ZVSUKYIUBSIVTJ-UHFFFAOYSA-N 0 3 315.461 3.359 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nc2ccccc2n1C(F)F ZINC000411646995 434812638 /nfs/dbraw/zinc/81/26/38/434812638.db2.gz XCAIZEIMTKILTL-UHFFFAOYSA-N 0 3 322.403 3.371 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(F)cc2cccnc21 ZINC000411641776 434813651 /nfs/dbraw/zinc/81/36/51/434813651.db2.gz MGRCMYBHWGYDOS-UHFFFAOYSA-N 0 3 301.409 3.314 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)[C@H](C)[C@@H]2C)ccc1OC ZINC000361157746 434817896 /nfs/dbraw/zinc/81/78/96/434817896.db2.gz YESMNNOKRPCLMW-CVEARBPZSA-N 0 3 318.461 3.175 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000372433752 434826404 /nfs/dbraw/zinc/82/64/04/434826404.db2.gz OUXFEDSHIWLMQZ-UHFFFAOYSA-N 0 3 324.428 3.472 20 30 DGEDHN N#Cc1cccc(OCCCN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411951255 434848709 /nfs/dbraw/zinc/84/87/09/434848709.db2.gz RVURLAJGAQMAAQ-ICSRJNTNSA-N 0 3 322.408 3.135 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000372740992 434850907 /nfs/dbraw/zinc/85/09/07/434850907.db2.gz MTDLWGQASFMJFE-IBGZPJMESA-N 0 3 312.457 3.488 20 30 DGEDHN Cc1ccccc1OC[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000573708493 434919624 /nfs/dbraw/zinc/91/96/24/434919624.db2.gz VITXIOOKWDEVPW-OALUTQOASA-N 0 3 324.424 3.369 20 30 DGEDHN C[C@H]1[C@H](CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000412071236 434864162 /nfs/dbraw/zinc/86/41/62/434864162.db2.gz GQGYJMVLGLEFOM-ZFWWWQNUSA-N 0 3 311.347 3.150 20 30 DGEDHN CN(C)C/C=C\C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000491851360 434870631 /nfs/dbraw/zinc/87/06/31/434870631.db2.gz RAHUSGQVZRUDAJ-DAXSKMNVSA-N 0 3 321.380 3.407 20 30 DGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H]1OCCc2sccc21 ZINC000492225757 434937874 /nfs/dbraw/zinc/93/78/74/434937874.db2.gz NEMDHSXSGQUXKU-MEBBXXQBSA-N 0 3 304.440 3.473 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC000464044310 434976016 /nfs/dbraw/zinc/97/60/16/434976016.db2.gz GKUNVCSRZDHZKW-ROUUACIJSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@@H](OC)C1CCOCC1 ZINC000637974187 434920713 /nfs/dbraw/zinc/92/07/13/434920713.db2.gz JRMIIEWVFLYTOB-LJQANCHMSA-N 0 3 303.446 3.159 20 30 DGEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000527801005 435014761 /nfs/dbraw/zinc/01/47/61/435014761.db2.gz GLDZYXGYNRSZPU-MJGOQNOKSA-N 0 3 324.428 3.004 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Cc2ccccc2C)CC1 ZINC000528447914 435024245 /nfs/dbraw/zinc/02/42/45/435024245.db2.gz IPJSXCIIQCTHLL-QGZVFWFLSA-N 0 3 314.473 3.330 20 30 DGEDHN CC(C)[C@@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000528637601 435026890 /nfs/dbraw/zinc/02/68/90/435026890.db2.gz GUSGBQLDMDXDFE-PMACEKPBSA-N 0 3 324.472 3.272 20 30 DGEDHN COc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)C2CC2)cn1 ZINC000528850226 435029594 /nfs/dbraw/zinc/02/95/94/435029594.db2.gz SVDOOLXTKQDHIO-SFHVURJKSA-N 0 3 311.360 3.342 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)nc21 ZINC000528952441 435031027 /nfs/dbraw/zinc/03/10/27/435031027.db2.gz AHEAWYOKJGRJRQ-KDBYPZKRSA-N 0 3 311.385 3.107 20 30 DGEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000574585721 434989250 /nfs/dbraw/zinc/98/92/50/434989250.db2.gz IHWWTOQHFQMFPD-UHFFFAOYSA-N 0 3 317.396 3.015 20 30 DGEDHN CC#CCN(C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000525110996 435003965 /nfs/dbraw/zinc/00/39/65/435003965.db2.gz BCRSYYUZPWBTRV-SFHVURJKSA-N 0 3 311.425 3.313 20 30 DGEDHN Cc1cc(OC[C@@H](O)CNCCCC#N)c(C(C)C)cc1Cl ZINC000574912536 435005194 /nfs/dbraw/zinc/00/51/94/435005194.db2.gz KUDQETDKLBHXCE-AWEZNQCLSA-N 0 3 324.852 3.405 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000575229798 435006664 /nfs/dbraw/zinc/00/66/64/435006664.db2.gz RZZXSJQURNJRRJ-QUCCMNQESA-N 0 3 324.424 3.233 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000525953608 435008664 /nfs/dbraw/zinc/00/86/64/435008664.db2.gz YECQXGHWCZDFHA-NVXWUHKLSA-N 0 3 314.429 3.137 20 30 DGEDHN C[C@@H](Cc1ccsc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525830806 435008981 /nfs/dbraw/zinc/00/89/81/435008981.db2.gz UUUZXJTZCFZUKK-GUYCJALGSA-N 0 3 323.421 3.049 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C3CCCC3)C2)cc1 ZINC000577738524 435062516 /nfs/dbraw/zinc/06/25/16/435062516.db2.gz YJAGAGPXOLKXSP-RTBURBONSA-N 0 3 321.424 3.279 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C=CCCC1)C(C)C ZINC000466229257 435066757 /nfs/dbraw/zinc/06/67/57/435066757.db2.gz VTKPMNFJVBBDGH-DLBZAZTESA-N 0 3 305.466 3.093 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1[C@H](C)CC[C@@H]1C)C(C)C ZINC000466222851 435067297 /nfs/dbraw/zinc/06/72/97/435067297.db2.gz HCPZWYUGEGMBBL-BBWFWOEESA-N 0 3 307.482 3.267 20 30 DGEDHN C=CCCN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000466641073 435086687 /nfs/dbraw/zinc/08/66/87/435086687.db2.gz KFICASCJHRPIII-QGZVFWFLSA-N 0 3 314.473 3.364 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000575863754 435053065 /nfs/dbraw/zinc/05/30/65/435053065.db2.gz NIHKAJYFZUTLLQ-SMDDNHRTSA-N 0 3 316.792 3.214 20 30 DGEDHN Cc1ccc([C@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000557468553 435053907 /nfs/dbraw/zinc/05/39/07/435053907.db2.gz GYZWVWJEAFLDPD-LPHOPBHVSA-N 0 3 324.424 3.152 20 30 DGEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467202319 435110572 /nfs/dbraw/zinc/11/05/72/435110572.db2.gz PNUUENJMZBRIPH-BXUZGUMPSA-N 0 3 305.809 3.271 20 30 DGEDHN CCOC1CC(CNCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000638897702 435115377 /nfs/dbraw/zinc/11/53/77/435115377.db2.gz JUFNSTGAWCTJCF-UHFFFAOYSA-N 0 3 311.347 3.462 20 30 DGEDHN Cc1ccc(C[C@H](CO)N[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000467417305 435120896 /nfs/dbraw/zinc/12/08/96/435120896.db2.gz KIIISIAEFYJKJS-RDTXWAMCSA-N 0 3 312.388 3.260 20 30 DGEDHN C=CCCC1(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000475325518 435190616 /nfs/dbraw/zinc/19/06/16/435190616.db2.gz MRPMXGFWAAEMJX-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=CCN1CCC(Nc2cncc(OC3CCCCC3)n2)CC1 ZINC000475430053 435197799 /nfs/dbraw/zinc/19/77/99/435197799.db2.gz PHVXSAVYKSJPCT-UHFFFAOYSA-N 0 3 316.449 3.250 20 30 DGEDHN CN(C[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1)C(=O)OC(C)(C)C ZINC000496563731 435225686 /nfs/dbraw/zinc/22/56/86/435225686.db2.gz JANPBMXRHVTHKN-HRCADAONSA-N 0 3 321.465 3.258 20 30 DGEDHN C[C@@H]1CCN(CCC(C)(C)C#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496655751 435237319 /nfs/dbraw/zinc/23/73/19/435237319.db2.gz SCYMTJBDPFXJII-CABCVRRESA-N 0 3 323.481 3.409 20 30 DGEDHN CN(CC1CCN([C@H]2CC[C@@H](C#N)C2)CC1)C(=O)OC(C)(C)C ZINC000496684635 435239769 /nfs/dbraw/zinc/23/97/69/435239769.db2.gz LBZCWYTWLWTFAL-CVEARBPZSA-N 0 3 321.465 3.258 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000580512493 435236994 /nfs/dbraw/zinc/23/69/94/435236994.db2.gz QLKRPHHKCXLKFG-GDBMZVCRSA-N 0 3 320.396 3.116 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496402724 298365078 /nfs/dbraw/zinc/36/50/78/298365078.db2.gz YEMKEAMFOHIBBR-RBSFLKMASA-N 0 3 309.454 3.161 20 30 DGEDHN C[C@@H]1COCCN1C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000563362962 435265674 /nfs/dbraw/zinc/26/56/74/435265674.db2.gz GSEYJFQEJNBQKT-QGZVFWFLSA-N 0 3 319.493 3.036 20 30 DGEDHN C=CCn1cccc1C(=O)N(CCC)CCN1CCCCCC1 ZINC000564201948 435271001 /nfs/dbraw/zinc/27/10/01/435271001.db2.gz UKCXHZNASYQIMD-UHFFFAOYSA-N 0 3 317.477 3.402 20 30 DGEDHN N#CCCC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000564917047 435275444 /nfs/dbraw/zinc/27/54/44/435275444.db2.gz LEIXPWCQFIGVGD-HNNXBMFYSA-N 0 3 322.836 3.095 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000496993270 435279771 /nfs/dbraw/zinc/27/97/71/435279771.db2.gz BQDFYZFOHQPYEJ-LZWOXQAQSA-N 0 3 321.465 3.304 20 30 DGEDHN COc1ccccc1SC[C@H](C)CNC[C@@H](C#N)CCC#N ZINC000566108026 435284320 /nfs/dbraw/zinc/28/43/20/435284320.db2.gz SWYDUORZEWTKLK-HUUCEWRRSA-N 0 3 317.458 3.457 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000566791174 435289319 /nfs/dbraw/zinc/28/93/19/435289319.db2.gz BDYBFVZDWMOOLG-KRWDZBQOSA-N 0 3 313.445 3.026 20 30 DGEDHN C[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000567182484 435293804 /nfs/dbraw/zinc/29/38/04/435293804.db2.gz MNKUQIRUIPHRMJ-MRXNPFEDSA-N 0 3 312.461 3.292 20 30 DGEDHN COc1ccc(CN2CC[C@@H](COc3ccccc3)C2)cc1C#N ZINC000505813075 435308614 /nfs/dbraw/zinc/30/86/14/435308614.db2.gz QYZJUSKFCXUQQI-QGZVFWFLSA-N 0 3 322.408 3.468 20 30 DGEDHN C=CCOCCNCc1ccnc2c(Br)cccc12 ZINC000648509948 435325854 /nfs/dbraw/zinc/32/58/54/435325854.db2.gz KSEADJCAJSSQIT-UHFFFAOYSA-N 0 3 321.218 3.290 20 30 DGEDHN CC1(C)C[C@H](NCc2cnc3c(C#N)cnn3c2)c2ccccc21 ZINC000567887079 435364839 /nfs/dbraw/zinc/36/48/39/435364839.db2.gz BPFQDXYRMKDRIR-KRWDZBQOSA-N 0 3 317.396 3.113 20 30 DGEDHN OC[C@@H](C1CC1)N(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000535849100 435359728 /nfs/dbraw/zinc/35/97/28/435359728.db2.gz NRHXDJAZSCOYRR-NRFANRHFSA-N 0 3 323.411 3.450 20 30 DGEDHN C=CC[C@@H]1N(Cc2cnc3c(C#N)cnn3c2)CCCC1(C)C ZINC000567888805 435364208 /nfs/dbraw/zinc/36/42/08/435364208.db2.gz SATQFUNZHNJGAV-INIZCTEOSA-N 0 3 309.417 3.168 20 30 DGEDHN CC[C@@H](C)N[C@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000596230073 435313471 /nfs/dbraw/zinc/31/34/71/435313471.db2.gz GFFLSDCYSRUTRS-MWLCHTKSSA-N 0 3 324.837 3.802 20 30 DGEDHN C=C(C)CN(C)Cc1ccc(I)cc1 ZINC000481267293 435418159 /nfs/dbraw/zinc/41/81/59/435418159.db2.gz GNSRXOHAVAXETC-UHFFFAOYSA-N 0 3 301.171 3.299 20 30 DGEDHN C=CCN(C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000513366727 435386029 /nfs/dbraw/zinc/38/60/29/435386029.db2.gz VQDHLBKVXCHRHJ-GOSISDBHSA-N 0 3 317.477 3.315 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)[C@@H](C)CCO)cc1OC ZINC000628325893 435397474 /nfs/dbraw/zinc/39/74/74/435397474.db2.gz IPNCDBWOSARZEZ-LBPRGKRZSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000515140793 435466283 /nfs/dbraw/zinc/46/62/83/435466283.db2.gz HCBFXAQBJPAQQB-KRWDZBQOSA-N 0 3 312.457 3.488 20 30 DGEDHN Cc1nnc(SCCN2C[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000515312802 435474935 /nfs/dbraw/zinc/47/49/35/435474935.db2.gz QGWZRHUZYGDFGB-VXGBXAGGSA-N 0 3 304.463 3.035 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000637324254 435425412 /nfs/dbraw/zinc/42/54/12/435425412.db2.gz SEMGCMDBHAGBRM-HNNXBMFYSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000537225895 435432847 /nfs/dbraw/zinc/43/28/47/435432847.db2.gz RLXLTFRYZCTXNT-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644425084 435441381 /nfs/dbraw/zinc/44/13/81/435441381.db2.gz IJPDFYURMNEGEV-ZFWWWQNUSA-N 0 3 315.335 3.187 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000483232872 435503956 /nfs/dbraw/zinc/50/39/56/435503956.db2.gz SSSLFBYHPAYDFO-AWEZNQCLSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000483250796 435506249 /nfs/dbraw/zinc/50/62/49/435506249.db2.gz BPSOCSMXUYNCAB-JYJNAYRXSA-N 0 3 307.482 3.008 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000649095736 435512462 /nfs/dbraw/zinc/51/24/62/435512462.db2.gz VIOLUNFYVJOGEN-INIZCTEOSA-N 0 3 300.446 3.322 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N[C@H]3C[C@H](C)N(C4CC4)C3)c2c1 ZINC000569297598 435519915 /nfs/dbraw/zinc/51/99/15/435519915.db2.gz URTRBEQHDSBNAS-HOCLYGCPSA-N 0 3 320.440 3.182 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000483137989 435498029 /nfs/dbraw/zinc/49/80/29/435498029.db2.gz LZVCATCWKHORBY-ZACQAIPSSA-N 0 3 321.509 3.398 20 30 DGEDHN Cc1csc(NC(=O)NC[C@H](C)N2CCC(C)CC2)c1C#N ZINC000569705902 435555362 /nfs/dbraw/zinc/55/53/62/435555362.db2.gz GCJXKYFBFLQKBC-ZDUSSCGKSA-N 0 3 320.462 3.170 20 30 DGEDHN C=CCCCCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000570036416 435584773 /nfs/dbraw/zinc/58/47/73/435584773.db2.gz ONHUKMCFSZWWFU-UHFFFAOYSA-N 0 3 300.446 3.499 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Br)ccc1Cl ZINC000539223793 435541686 /nfs/dbraw/zinc/54/16/86/435541686.db2.gz LKVNICFKZLPUSS-JTQLQIEISA-N 0 3 318.642 3.377 20 30 DGEDHN C=CCN(CC(=O)NC1(C#N)CCCCC1)CC1CCCCC1 ZINC000484487283 435545037 /nfs/dbraw/zinc/54/50/37/435545037.db2.gz JEZGBKIMJUEWII-UHFFFAOYSA-N 0 3 317.477 3.397 20 30 DGEDHN CCCCC[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000486780515 435613539 /nfs/dbraw/zinc/61/35/39/435613539.db2.gz VRWQPNWNRYIFTI-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000570507519 435625901 /nfs/dbraw/zinc/62/59/01/435625901.db2.gz BOEFQBDWNQTYAK-PBHICJAKSA-N 0 3 308.853 3.178 20 30 DGEDHN N#CCC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000540995466 435632974 /nfs/dbraw/zinc/63/29/74/435632974.db2.gz SCNWNMCYNXPRJI-UHFFFAOYSA-N 0 3 308.385 3.395 20 30 DGEDHN C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(C#N)cc1 ZINC000517549476 435599171 /nfs/dbraw/zinc/59/91/71/435599171.db2.gz WYVJDRDAJVZGAM-CYBMUJFWSA-N 0 3 321.359 3.129 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N ZINC000488736650 435642890 /nfs/dbraw/zinc/64/28/90/435642890.db2.gz VKVCWQNGBIHJQK-HWWQOWPSSA-N 0 3 318.852 3.082 20 30 DGEDHN C[C@@H]1C[C@H]1N1CCN(c2ccc(Cl)cc2C#N)C[C@@H](C)C1 ZINC000488732341 435643651 /nfs/dbraw/zinc/64/36/51/435643651.db2.gz NGOVYQZPZYRPJK-PBFPGSCMSA-N 0 3 303.837 3.378 20 30 DGEDHN CN(C)C1(CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000570797360 435651541 /nfs/dbraw/zinc/65/15/41/435651541.db2.gz AHWONSFDSNJYHE-UHFFFAOYSA-N 0 3 300.793 3.266 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1CC1CCCCC1 ZINC000488403709 435638114 /nfs/dbraw/zinc/63/81/14/435638114.db2.gz NDBFXKBKSIEDJS-IEBWSBKVSA-N 0 3 319.493 3.476 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c1C#N ZINC000541122921 435638655 /nfs/dbraw/zinc/63/86/55/435638655.db2.gz JZYLPSMCFZYJFV-JOQOYGCGSA-N 0 3 312.413 3.355 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c1C#N ZINC000541122915 435639259 /nfs/dbraw/zinc/63/92/59/435639259.db2.gz JZYLPSMCFZYJFV-DHSIGJKJSA-N 0 3 312.413 3.355 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)c1C#N ZINC000541122918 435639516 /nfs/dbraw/zinc/63/95/16/435639516.db2.gz JZYLPSMCFZYJFV-JCKWVBRZSA-N 0 3 312.413 3.355 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC1CC(C(F)(F)F)C1 ZINC000490918889 435689547 /nfs/dbraw/zinc/68/95/47/435689547.db2.gz KRDBEXJYSAHGNI-IYXRBSQSSA-N 0 3 310.319 3.216 20 30 DGEDHN C#CCN(Cc1cn(C)nc1-c1cccnc1)C1CCCCC1 ZINC000490899900 435688389 /nfs/dbraw/zinc/68/83/89/435688389.db2.gz QXTSIFHKCUNVGB-UHFFFAOYSA-N 0 3 308.429 3.250 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCC[C@H]1C ZINC000519666211 435696872 /nfs/dbraw/zinc/69/68/72/435696872.db2.gz AYSUYGKIDWVINJ-CHWSQXEVSA-N 0 3 319.836 3.204 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000491406484 435745084 /nfs/dbraw/zinc/74/50/84/435745084.db2.gz OACWFKWGBONBCO-PMACEKPBSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917432 435755534 /nfs/dbraw/zinc/75/55/34/435755534.db2.gz NDCBFGVLODKLMV-VJANTYMQSA-N 0 3 301.430 3.308 20 30 DGEDHN C#C[C@H](N[C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000491661269 435788911 /nfs/dbraw/zinc/78/89/11/435788911.db2.gz FOWFOEONNAHVJQ-MELADBBJSA-N 0 3 301.283 3.200 20 30 DGEDHN C#C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000491690919 435795360 /nfs/dbraw/zinc/79/53/60/435795360.db2.gz CQIWUSOMOYAGLY-PKOBYXMFSA-N 0 3 320.367 3.389 20 30 DGEDHN C=CC(C)(C)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000572335243 435810569 /nfs/dbraw/zinc/81/05/69/435810569.db2.gz OQMWEHKXIKMJTG-UHFFFAOYSA-N 0 3 301.390 3.141 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000491790493 435814720 /nfs/dbraw/zinc/81/47/20/435814720.db2.gz ZNAAFFRHXPDYDL-UHFFFAOYSA-N 0 3 304.821 3.241 20 30 DGEDHN CC#CC[C@H](CO)NCc1cc2cc(Br)ccc2o1 ZINC000641767385 435815573 /nfs/dbraw/zinc/81/55/73/435815573.db2.gz JVIIWEYRSXLDKZ-CYBMUJFWSA-N 0 3 322.202 3.059 20 30 DGEDHN C=CCCOCCNCc1cn(-c2ccccc2F)nc1C ZINC000655750562 435771822 /nfs/dbraw/zinc/77/18/22/435771822.db2.gz CGWLUBOZHFWZLI-UHFFFAOYSA-N 0 3 303.381 3.002 20 30 DGEDHN C#C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000491632372 435781642 /nfs/dbraw/zinc/78/16/42/435781642.db2.gz PSFDXEQTIGBFKZ-HNNXBMFYSA-N 0 3 314.326 3.116 20 30 DGEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000656172524 435905547 /nfs/dbraw/zinc/90/55/47/435905547.db2.gz JHIKIQRNPBXVMJ-QGZVFWFLSA-N 0 3 315.461 3.115 20 30 DGEDHN C=CCC1(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000665269703 435934879 /nfs/dbraw/zinc/93/48/79/435934879.db2.gz LOJKOGSUOWQVPI-JKSUJKDBSA-N 0 3 305.466 3.191 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000665385141 435965055 /nfs/dbraw/zinc/96/50/55/435965055.db2.gz WPZISBPCHUVGAD-IKGGRYGDSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N(C)CCN1CCCCC1 ZINC000652563182 436011492 /nfs/dbraw/zinc/01/14/92/436011492.db2.gz CBQFGDHXXAHIEA-UHFFFAOYSA-N 0 3 317.481 3.044 20 30 DGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000661380581 436048666 /nfs/dbraw/zinc/04/86/66/436048666.db2.gz OGTQOBGHNCECFP-LSDHHAIUSA-N 0 3 302.418 3.310 20 30 DGEDHN C=CCN1CCC(NC(=O)c2coc3ccc(Cl)cc23)CC1 ZINC000651273698 436158147 /nfs/dbraw/zinc/15/81/47/436158147.db2.gz VWKKDBYDWJXMTK-UHFFFAOYSA-N 0 3 318.804 3.466 20 30 DGEDHN C[C@@]12COC[C@H]1CN(CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000661709531 436162982 /nfs/dbraw/zinc/16/29/82/436162982.db2.gz XLNUXAQSAXYQSE-HZPDHXFCSA-N 0 3 309.331 3.025 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](C)C2)c1 ZINC000337705728 301224952 /nfs/dbraw/zinc/22/49/52/301224952.db2.gz ZXTWWOFXLSKBHW-RHSMWYFYSA-N 0 3 313.445 3.280 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(F)c1OC(F)F ZINC000657454299 436210037 /nfs/dbraw/zinc/21/00/37/436210037.db2.gz IRMOUZCVKJHGGM-GXTWGEPZSA-N 0 3 315.335 3.498 20 30 DGEDHN C=CCC1(NCC(=O)N2CCC(c3ccccc3)=N2)CCCC1 ZINC000661851942 436211195 /nfs/dbraw/zinc/21/11/95/436211195.db2.gz YQNMHJXYIJPDIP-UHFFFAOYSA-N 0 3 311.429 3.102 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000661879409 436219428 /nfs/dbraw/zinc/21/94/28/436219428.db2.gz VVICEUYXCVHGTE-MJGOQNOKSA-N 0 3 301.405 3.458 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCc1ccccc1C ZINC000662079698 436268097 /nfs/dbraw/zinc/26/80/97/436268097.db2.gz LODFJJJPVKEIFQ-YTQUADARSA-N 0 3 312.457 3.225 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000662083094 436269875 /nfs/dbraw/zinc/26/98/75/436269875.db2.gz ZXDHCLVGZFXBQR-OLMNPRSZSA-N 0 3 316.420 3.056 20 30 DGEDHN C=CCOCCCNCc1cc(-c2ccncc2)ccc1OC ZINC000657657798 436271140 /nfs/dbraw/zinc/27/11/40/436271140.db2.gz CXLPYXCBQRHOHD-UHFFFAOYSA-N 0 3 312.413 3.440 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCC(=O)c1ccc2c(c1)OCCO2 ZINC000662091558 436271900 /nfs/dbraw/zinc/27/19/00/436271900.db2.gz ZXBHLNDXCUAMBO-IYBDPMFKSA-N 0 3 313.397 3.214 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000654317943 436393016 /nfs/dbraw/zinc/39/30/16/436393016.db2.gz KUFDKSZZIRKREJ-OTWHNJEPSA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCOCCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000658210181 436400367 /nfs/dbraw/zinc/40/03/67/436400367.db2.gz PDKMNNBSZHNFAH-ZDUSSCGKSA-N 0 3 320.824 3.164 20 30 DGEDHN C=CCOCCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000658210069 436400480 /nfs/dbraw/zinc/40/04/80/436400480.db2.gz NQTRRMXIMRXZHH-LBPRGKRZSA-N 0 3 307.825 3.470 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc3ccc(N)cc3s2)CC1 ZINC000663567236 436478747 /nfs/dbraw/zinc/47/87/47/436478747.db2.gz BTFSCZVBCLAXRD-UHFFFAOYSA-N 0 3 302.447 3.331 20 30 DGEDHN C=CCCC1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCC1 ZINC000659335286 436496882 /nfs/dbraw/zinc/49/68/82/436496882.db2.gz XYJLPSSNYFALAF-KRWDZBQOSA-N 0 3 300.446 3.199 20 30 DGEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000664542191 436615336 /nfs/dbraw/zinc/61/53/36/436615336.db2.gz UJOHZSGSRCONRW-SJORKVTESA-N 0 3 315.461 3.476 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000660280086 436617744 /nfs/dbraw/zinc/61/77/44/436617744.db2.gz LTBOGEQKNGBIQB-WMLDXEAASA-N 0 3 305.466 3.047 20 30 DGEDHN N#Cc1c(F)cccc1NCC1(N2CCSCC2)CCCC1 ZINC000301113091 303176756 /nfs/dbraw/zinc/17/67/56/303176756.db2.gz ZXGANYAGXSZIEC-UHFFFAOYSA-N 0 3 319.449 3.471 20 30 DGEDHN N#Cc1ccc([C@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000134005804 312681203 /nfs/dbraw/zinc/68/12/03/312681203.db2.gz HNYKMNXJEFXFCK-QRVBRYPASA-N 0 3 319.408 3.011 20 30 DGEDHN N#Cc1ccc(CNCCCc2nc3c(s2)CCCC3)o1 ZINC000174338405 312762459 /nfs/dbraw/zinc/76/24/59/312762459.db2.gz HPOLPECLQNTELA-UHFFFAOYSA-N 0 3 301.415 3.209 20 30 DGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000540890203 313982427 /nfs/dbraw/zinc/98/24/27/313982427.db2.gz BDEUYIREXHHOBA-GFCCVEGCSA-N 0 3 319.836 3.014 20 30 DGEDHN C[C@]1(NCC(=O)Nc2cccc(C#N)c2)CCCc2ccccc21 ZINC000540906482 313983722 /nfs/dbraw/zinc/98/37/22/313983722.db2.gz ZASIVOVEALYJMI-FQEVSTJZSA-N 0 3 319.408 3.338 20 30 DGEDHN CCCC[C@H](CC)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000546932167 314337193 /nfs/dbraw/zinc/33/71/93/314337193.db2.gz QWTSVJITSOZNOG-CVEARBPZSA-N 0 3 315.465 3.075 20 30 DGEDHN COC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCO1 ZINC000558794611 314864260 /nfs/dbraw/zinc/86/42/60/314864260.db2.gz PHISDVSKFORYMR-CEXWTWQISA-N 0 3 314.429 3.109 20 30 DGEDHN CN1CCCC(C)(C)[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000562615544 315036473 /nfs/dbraw/zinc/03/64/73/315036473.db2.gz ZIGYHQWMVODJBA-MRXNPFEDSA-N 0 3 309.417 3.034 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOC[C@H]1CCCO1 ZINC000565280275 315249112 /nfs/dbraw/zinc/24/91/12/315249112.db2.gz GWZLKAFHRPKMQO-MJGOQNOKSA-N 0 3 314.429 3.111 20 30 DGEDHN Cc1csc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000566421266 315343459 /nfs/dbraw/zinc/34/34/59/315343459.db2.gz XOBHKVODUQGNBR-QWHCGFSZSA-N 0 3 320.462 3.313 20 30 DGEDHN CC(C)CN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000566895188 315381368 /nfs/dbraw/zinc/38/13/68/315381368.db2.gz AQSSCBOQCHEGGG-GOSISDBHSA-N 0 3 311.429 3.174 20 30 DGEDHN COc1ccc(CN[C@H]2CCC[C@H]2F)cc1OCCCC#N ZINC000339581326 533702196 /nfs/dbraw/zinc/70/21/96/533702196.db2.gz BYWILYXVTUTQIK-CABCVRRESA-N 0 3 306.381 3.358 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000574525442 315975825 /nfs/dbraw/zinc/97/58/25/315975825.db2.gz WGXBQYGKJNYSCY-NZSAHSFTSA-N 0 3 323.440 3.069 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)c1 ZINC000182876957 323314910 /nfs/dbraw/zinc/31/49/10/323314910.db2.gz SDRJSDYRPRJIOG-OAHLLOKOSA-N 0 3 307.397 3.464 20 30 DGEDHN Cc1cccc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)c1C ZINC000183707428 323346653 /nfs/dbraw/zinc/34/66/53/323346653.db2.gz HFZKHMJWYSPMGF-OAHLLOKOSA-N 0 3 307.397 3.464 20 30 DGEDHN C[C@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C#N)cc1Cl ZINC000578829461 323786615 /nfs/dbraw/zinc/78/66/15/323786615.db2.gz RRGHQFHUYCKGNK-JSGCOSHPSA-N 0 3 318.804 3.306 20 30 DGEDHN Cc1cnccc1CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000583141266 324318025 /nfs/dbraw/zinc/31/80/25/324318025.db2.gz LLGBLFHQBHISOV-UHFFFAOYSA-N 0 3 321.424 3.348 20 30 DGEDHN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(CCC#N)CC1 ZINC000583992062 331529387 /nfs/dbraw/zinc/52/93/87/331529387.db2.gz MQWWIKNMGPGNQT-INIZCTEOSA-N 0 3 313.445 3.049 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H](C)C2CCCCC2)c1C#N ZINC000584020721 331581059 /nfs/dbraw/zinc/58/10/59/331581059.db2.gz PDJQRLBOZLKAOU-ZDUSSCGKSA-N 0 3 300.402 3.403 20 30 DGEDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000580068930 332927202 /nfs/dbraw/zinc/92/72/02/332927202.db2.gz AXWZUUHHZQOOOS-NVXWUHKLSA-N 0 3 305.466 3.182 20 30 DGEDHN C=CCC[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC000556883674 331747997 /nfs/dbraw/zinc/74/79/97/331747997.db2.gz HBALAFMEUWXWDH-KFWWJZLASA-N 0 3 311.447 3.232 20 30 DGEDHN COc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000072659057 331931563 /nfs/dbraw/zinc/93/15/63/331931563.db2.gz JDECCMOQBRPUEN-UHFFFAOYSA-N 0 3 309.413 3.335 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000518500903 332068538 /nfs/dbraw/zinc/06/85/38/332068538.db2.gz DUMGWEFJQPRAQV-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000569430995 332081621 /nfs/dbraw/zinc/08/16/21/332081621.db2.gz IPCBFHOJOYMQJT-WMLDXEAASA-N 0 3 320.396 3.116 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2cccc(F)c2)CCCCC1 ZINC000518735332 332138984 /nfs/dbraw/zinc/13/89/84/332138984.db2.gz LOOOVMUUWNEKCY-OAHLLOKOSA-N 0 3 318.436 3.308 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000559755845 332279474 /nfs/dbraw/zinc/27/94/74/332279474.db2.gz PBRZHOUXSNWKJQ-UHFFFAOYSA-N 0 3 324.534 3.457 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1 ZINC000560855621 332390257 /nfs/dbraw/zinc/39/02/57/332390257.db2.gz RZYOBZKASGYACD-NVXWUHKLSA-N 0 3 313.445 3.182 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000247086029 332547272 /nfs/dbraw/zinc/54/72/72/332547272.db2.gz HZVYCAFOFLLWRF-HLLBOEOZSA-N 0 3 307.482 3.151 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3c2cccc3Cl)CC1 ZINC000528451805 333036818 /nfs/dbraw/zinc/03/68/18/333036818.db2.gz ZMWTUZSHYSOUQX-INIZCTEOSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCC[C@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000185190752 335118327 /nfs/dbraw/zinc/11/83/27/335118327.db2.gz IATZQYOQSNLBST-LBPRGKRZSA-N 0 3 301.839 3.058 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ncccc1CC)C(C)C ZINC000500708425 333253029 /nfs/dbraw/zinc/25/30/29/333253029.db2.gz DSAWWJHJOZEXCQ-QGZVFWFLSA-N 0 3 315.461 3.072 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)C1=O ZINC000499613243 333288029 /nfs/dbraw/zinc/28/80/29/333288029.db2.gz VYIOHQAMIPYIOA-VDNDLQMASA-N 0 3 318.848 3.414 20 30 DGEDHN Cc1ccccc1C[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000343467525 335167292 /nfs/dbraw/zinc/16/72/92/335167292.db2.gz MSTVVGIVQYLWBX-KDOFPFPSSA-N 0 3 312.388 3.260 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000292930807 334194404 /nfs/dbraw/zinc/19/44/04/334194404.db2.gz YXJPQHCPQIPUOZ-RHSMWYFYSA-N 0 3 321.428 3.343 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CCC)CC1 ZINC000520710461 336033564 /nfs/dbraw/zinc/03/35/64/336033564.db2.gz UTTOEECRPNLLJV-NVXWUHKLSA-N 0 3 307.482 3.295 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000352806453 336242423 /nfs/dbraw/zinc/24/24/23/336242423.db2.gz RCVKJRKKFFLUFM-XVKPBYJWSA-N 0 3 322.233 3.167 20 30 DGEDHN CCOc1c(OC)cc(CN[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000361466099 336757729 /nfs/dbraw/zinc/75/77/29/336757729.db2.gz YXAMPHQXIXZWGE-ZFWWWQNUSA-N 0 3 318.417 3.274 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(Br)ccc1F ZINC000320993818 337149372 /nfs/dbraw/zinc/14/93/72/337149372.db2.gz JPMCSDLZFHHKIA-LBPRGKRZSA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(F)c(Br)c1 ZINC000321060425 337190887 /nfs/dbraw/zinc/19/08/87/337190887.db2.gz YFUFBZQBAVZGKR-LLVKDONJSA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H](O)Cc1ccc(F)cc1 ZINC000582840882 337207859 /nfs/dbraw/zinc/20/78/59/337207859.db2.gz OWJHVOMCXIXODQ-SFHVURJKSA-N 0 3 315.388 3.084 20 30 DGEDHN CC(C)C1CCC(N2CCN(CCCSCC#N)CC2)CC1 ZINC000084680556 338005547 /nfs/dbraw/zinc/00/55/47/338005547.db2.gz DOYIWUWTJRGGRT-UHFFFAOYSA-N 0 3 323.550 3.466 20 30 DGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000498910170 340025699 /nfs/dbraw/zinc/02/56/99/340025699.db2.gz CPMIEZWPORYCPG-LSDHHAIUSA-N 0 3 324.390 3.471 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3ccc(Cl)cc3)CC2)C1=O ZINC000499638917 340041912 /nfs/dbraw/zinc/04/19/12/340041912.db2.gz YNIYXKPEHGTLBH-KRWDZBQOSA-N 0 3 318.848 3.306 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCCN1CCCC[C@@H]1CC ZINC000499721207 340043362 /nfs/dbraw/zinc/04/33/62/340043362.db2.gz BGLARIVEDDXMLM-INIZCTEOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000501484785 340082066 /nfs/dbraw/zinc/08/20/66/340082066.db2.gz ZMPVFDRULPTLME-HOTGVXAUSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000501559043 340083608 /nfs/dbraw/zinc/08/36/08/340083608.db2.gz ZQMZZGMHLROJKC-RHSMWYFYSA-N 0 3 321.440 3.472 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H](C)C(C)C)C(C)C ZINC000501751724 340087843 /nfs/dbraw/zinc/08/78/43/340087843.db2.gz GPWAPIYYQSGUBY-SJORKVTESA-N 0 3 309.498 3.371 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCC1CCCCC1 ZINC000507648881 340227205 /nfs/dbraw/zinc/22/72/05/340227205.db2.gz DTZLAPNETRJVOU-MAUKXSAKSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000300814130 340241295 /nfs/dbraw/zinc/24/12/95/340241295.db2.gz HRGFRQPLQBLQBS-GFCCVEGCSA-N 0 3 302.846 3.364 20 30 DGEDHN C=CCn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508480659 340244526 /nfs/dbraw/zinc/24/45/26/340244526.db2.gz JBGQQHTUQKSJSC-UHFFFAOYSA-N 0 3 319.497 3.146 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508894061 340255284 /nfs/dbraw/zinc/25/52/84/340255284.db2.gz KAXOMJPIBMLOSL-RDJZCZTQSA-N 0 3 303.450 3.204 20 30 DGEDHN C=CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1 ZINC000508892122 340255286 /nfs/dbraw/zinc/25/52/86/340255286.db2.gz HWLJTQRBVKAJHZ-QAPCUYQASA-N 0 3 315.461 3.346 20 30 DGEDHN C=CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508896363 340255407 /nfs/dbraw/zinc/25/54/07/340255407.db2.gz MKMAQKJFQYIHHY-QAPCUYQASA-N 0 3 315.461 3.285 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000509586583 340274242 /nfs/dbraw/zinc/27/42/42/340274242.db2.gz PQWZCGRUDASCOY-GDBMZVCRSA-N 0 3 319.449 3.316 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510552362 340302444 /nfs/dbraw/zinc/30/24/44/340302444.db2.gz QDYXDPMGCTVSGA-QFBILLFUSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510597313 340303574 /nfs/dbraw/zinc/30/35/74/340303574.db2.gz LMJZEITWAQGTAS-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000125834137 340811369 /nfs/dbraw/zinc/81/13/69/340811369.db2.gz HGJBQYQTWUVHGI-CVEARBPZSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1ccc(CC)cc1 ZINC000538256055 340815087 /nfs/dbraw/zinc/81/50/87/340815087.db2.gz BEUZINPGJXMLBV-UHFFFAOYSA-N 0 3 302.462 3.498 20 30 DGEDHN CCN(CC)CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397597 340846198 /nfs/dbraw/zinc/84/61/98/340846198.db2.gz GDXQQEPLEUXERH-MRXNPFEDSA-N 0 3 301.434 3.007 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000539480952 340886599 /nfs/dbraw/zinc/88/65/99/340886599.db2.gz OYDRDTSGFGLIQR-WMZOPIPTSA-N 0 3 319.832 3.403 20 30 DGEDHN N#CCC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000543780066 341058448 /nfs/dbraw/zinc/05/84/48/341058448.db2.gz MIFBJBBSJWIUDI-IBGZPJMESA-N 0 3 314.429 3.370 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC[C@H](C#N)CCC#N)cc1 ZINC000564281021 341094111 /nfs/dbraw/zinc/09/41/11/341094111.db2.gz SAOUVAREGFFIBP-UHOSZYNNSA-N 0 3 311.429 3.496 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000546931327 341186998 /nfs/dbraw/zinc/18/69/98/341186998.db2.gz PJKXKIZSLDQAJQ-FCEWJHQRSA-N 0 3 315.461 3.397 20 30 DGEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)N(CC)CCC#N ZINC000075886004 341188078 /nfs/dbraw/zinc/18/80/78/341188078.db2.gz HMZHRQRIIUNTIP-SFHVURJKSA-N 0 3 315.461 3.010 20 30 DGEDHN C=CCCCc1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000547110958 341196345 /nfs/dbraw/zinc/19/63/45/341196345.db2.gz GEGSTAIFRYMFBE-UHFFFAOYSA-N 0 3 301.390 3.186 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H]1CCCCN1CC)c1ccccc1 ZINC000134195859 341209082 /nfs/dbraw/zinc/20/90/82/341209082.db2.gz DZFQBUVKRCBLTG-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCC1CC1 ZINC000135312040 341236549 /nfs/dbraw/zinc/23/65/49/341236549.db2.gz AFJUENZWQHNPHE-CSLYMUCUSA-N 0 3 305.466 3.038 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000547976266 341241517 /nfs/dbraw/zinc/24/15/17/341241517.db2.gz QBFBITOHEZOGBE-AEFFLSMTSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000079296612 341256356 /nfs/dbraw/zinc/25/63/56/341256356.db2.gz MVKOQSXWLVUNRI-HNNXBMFYSA-N 0 3 321.490 3.320 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000079310913 341256493 /nfs/dbraw/zinc/25/64/93/341256493.db2.gz NSIKLYOUWSTJAU-SFHVURJKSA-N 0 3 313.445 3.207 20 30 DGEDHN C=CCOc1cccc(CN(C)C[C@H](O)Cc2ccccc2)c1 ZINC000552072716 341367693 /nfs/dbraw/zinc/36/76/93/341367693.db2.gz XSHNBNRIUDLDFU-LJQANCHMSA-N 0 3 311.425 3.287 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248644281 341382531 /nfs/dbraw/zinc/38/25/31/341382531.db2.gz ZNNHHAPXAPVZDG-LZLYRXPVSA-N 0 3 300.446 3.225 20 30 DGEDHN CC[C@H](C)N(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000249517246 341398592 /nfs/dbraw/zinc/39/85/92/341398592.db2.gz GRFKQANHXDVFJF-QFBILLFUSA-N 0 3 315.461 3.342 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCCN1CC)c1ccccc1 ZINC000249566768 341399322 /nfs/dbraw/zinc/39/93/22/341399322.db2.gz NFELLDVCNPJXAE-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000152825633 341507429 /nfs/dbraw/zinc/50/74/29/341507429.db2.gz FOZGQQFXUKDWOQ-IRXDYDNUSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)[C@H](C)CC)CCCC1 ZINC001732233837 1176834120 /nfs/dbraw/zinc/83/41/20/1176834120.db2.gz BTYQSFWUXDIGLX-TZMCWYRMSA-N 0 3 300.874 3.440 20 30 DGEDHN C[C@@H](Cc1cccc(O)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456705334 500883327 /nfs/dbraw/zinc/88/33/27/500883327.db2.gz SZFGSJVCKFQYOA-YJBOKZPZSA-N 0 3 322.408 3.212 20 30 DGEDHN C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424125175 533742266 /nfs/dbraw/zinc/74/22/66/533742266.db2.gz NKEJRKKDKIOLLX-MEYUZBJRSA-N 0 3 319.836 3.174 20 30 DGEDHN Cc1ccc(CC2CCN(CCOCCC#N)CC2)cc1C ZINC000339207925 533761423 /nfs/dbraw/zinc/76/14/23/533761423.db2.gz LRKQOEGSIVJYGY-UHFFFAOYSA-N 0 3 300.446 3.488 20 30 DGEDHN COc1cc(CN(C)CC2(O)CCCCCC2)ccc1C#N ZINC000442858135 533782653 /nfs/dbraw/zinc/78/26/53/533782653.db2.gz USWHIRIWYIEFJF-UHFFFAOYSA-N 0 3 302.418 3.084 20 30 DGEDHN COc1cc(CN2CCS[C@H]3CCCC[C@@H]32)ccc1C#N ZINC000442888109 533816932 /nfs/dbraw/zinc/81/69/32/533816932.db2.gz DUYBCVMEYKVZEZ-RDJZCZTQSA-N 0 3 302.443 3.427 20 30 DGEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1cc2ccccc2s1 ZINC000347203779 533817816 /nfs/dbraw/zinc/81/78/16/533817816.db2.gz QFWFBFORDOVTCI-LBPRGKRZSA-N 0 3 313.426 3.114 20 30 DGEDHN C[C@H](NCCCC#N)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000346808303 533842935 /nfs/dbraw/zinc/84/29/35/533842935.db2.gz CZUVAUSZKVFVRJ-AWEZNQCLSA-N 0 3 320.458 3.357 20 30 DGEDHN COc1cc(CNCC(C)(C)CCC#N)c([N+](=O)[O-])cc1OC ZINC000342272196 533870256 /nfs/dbraw/zinc/87/02/56/533870256.db2.gz DJJQSZUAJNTUDR-UHFFFAOYSA-N 0 3 321.377 3.032 20 30 DGEDHN COc1ccccc1CN(CCCCC#N)C[C@H]1CCCO1 ZINC000160967936 534063085 /nfs/dbraw/zinc/06/30/85/534063085.db2.gz IJGRLYLYPPWICQ-QGZVFWFLSA-N 0 3 302.418 3.370 20 30 DGEDHN COc1ccccc1CN(Cc1cccs1)C(=O)C(C)C#N ZINC000357792680 534070910 /nfs/dbraw/zinc/07/09/10/534070910.db2.gz HRDMTFJBDIIBLQ-CYBMUJFWSA-N 0 3 314.410 3.445 20 30 DGEDHN COc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433100840 534090783 /nfs/dbraw/zinc/09/07/83/534090783.db2.gz CJMHWPXHLOFGLT-MRXNPFEDSA-N 0 3 308.381 3.084 20 30 DGEDHN COc1ccc(OC)c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000330975123 534221355 /nfs/dbraw/zinc/22/13/55/534221355.db2.gz NVVDPAKXZCFMSI-UHFFFAOYSA-N 0 3 320.433 3.130 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469423821 534338080 /nfs/dbraw/zinc/33/80/80/534338080.db2.gz FPVABRUYBZUTAH-WMZOPIPTSA-N 0 3 317.477 3.407 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458731884 534367592 /nfs/dbraw/zinc/36/75/92/534367592.db2.gz KWEOSQUQOKTXBZ-HNNXBMFYSA-N 0 3 309.479 3.176 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458883975 534408133 /nfs/dbraw/zinc/40/81/33/534408133.db2.gz FTZUIJMSYNMEKA-MRXNPFEDSA-N 0 3 321.490 3.277 20 30 DGEDHN Cc1cn2c(n1)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708090 534510851 /nfs/dbraw/zinc/51/08/51/534510851.db2.gz AYRCYOPXOPZEKU-UKRRQHHQSA-N 0 3 312.392 3.431 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000488845851 534542991 /nfs/dbraw/zinc/54/29/91/534542991.db2.gz QSUUQMJRMRTENZ-LJQANCHMSA-N 0 3 312.457 3.466 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000458808783 534545405 /nfs/dbraw/zinc/54/54/05/534545405.db2.gz JIHHEPIFZQUMLD-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000488383668 534551761 /nfs/dbraw/zinc/55/17/61/534551761.db2.gz HYJTWXGJQKUPIO-MRXNPFEDSA-N 0 3 317.433 3.199 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000451678595 534573250 /nfs/dbraw/zinc/57/32/50/534573250.db2.gz XEYZELVMMOFYCQ-OLMNPRSZSA-N 0 3 316.445 3.462 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000449549314 534574310 /nfs/dbraw/zinc/57/43/10/534574310.db2.gz WQUXKCRVXSIZCA-OTWHNJEPSA-N 0 3 317.429 3.068 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc(Cl)c1OC ZINC000449518363 534608908 /nfs/dbraw/zinc/60/89/08/534608908.db2.gz IZPAFIMEJQUYFU-OLZOCXBDSA-N 0 3 302.201 3.435 20 30 DGEDHN N#CCCCNCc1ccc(OC(F)F)c(Br)c1 ZINC000344320145 534612368 /nfs/dbraw/zinc/61/23/68/534612368.db2.gz CQHZHWZRDVMGQK-UHFFFAOYSA-N 0 3 319.149 3.444 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000185777569 534748999 /nfs/dbraw/zinc/74/89/99/534748999.db2.gz XHNVZFBYNBLCDY-WCQYABFASA-N 0 3 313.323 3.195 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000442861179 534755720 /nfs/dbraw/zinc/75/57/20/534755720.db2.gz MLDKSSKEEHBLPV-JOYOIKCWSA-N 0 3 313.279 3.395 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2CCOc2cccc(C#N)c2)n1 ZINC000160418614 524852284 /nfs/dbraw/zinc/85/22/84/524852284.db2.gz SUJRPLNJWUFQBM-IBGZPJMESA-N 0 3 307.397 3.478 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(OC)c(Cl)c1)C1CC1 ZINC000357557854 526272740 /nfs/dbraw/zinc/27/27/40/526272740.db2.gz YLYNNWJPIRRRAK-UHFFFAOYSA-N 0 3 308.809 3.328 20 30 DGEDHN C=CCN(CCCO[C@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000358828678 526273348 /nfs/dbraw/zinc/27/33/48/526273348.db2.gz KZIZYRBGNDYAMR-IBGZPJMESA-N 0 3 314.429 3.480 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358109949 526370269 /nfs/dbraw/zinc/37/02/69/526370269.db2.gz JMFVLHHAZAUBOM-AWEZNQCLSA-N 0 3 319.474 3.096 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000424882146 526435350 /nfs/dbraw/zinc/43/53/50/526435350.db2.gz NNAZGDWBYMTDEP-UHFFFAOYSA-N 0 3 320.433 3.176 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCc3sccc32)CC1 ZINC000163147064 526437692 /nfs/dbraw/zinc/43/76/92/526437692.db2.gz UBXOVCJKNFDRSO-OAHLLOKOSA-N 0 3 319.474 3.075 20 30 DGEDHN C=CCN1CCC(NCc2conc2Cc2ccccc2)CC1 ZINC000339241531 526450705 /nfs/dbraw/zinc/45/07/05/526450705.db2.gz FOBCRGTVANWNGE-UHFFFAOYSA-N 0 3 311.429 3.005 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H]2CC[C@@](C)(c3ccccc3)C2)C1=O ZINC000343598953 526504035 /nfs/dbraw/zinc/50/40/35/526504035.db2.gz GHBGMEHYMPHGDY-WSTZPKSXSA-N 0 3 312.457 3.216 20 30 DGEDHN CC(C)(C)OCc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354476586 526564803 /nfs/dbraw/zinc/56/48/03/526564803.db2.gz ZJAXJPIMIKLEHQ-OAHLLOKOSA-N 0 3 309.369 3.282 20 30 DGEDHN C=CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180072473 526573359 /nfs/dbraw/zinc/57/33/59/526573359.db2.gz NBRUWAQECWYCNG-HNNXBMFYSA-N 0 3 312.335 3.048 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000345213643 526600833 /nfs/dbraw/zinc/60/08/33/526600833.db2.gz CYJYCDCQTXXHQG-UHFFFAOYSA-N 0 3 301.434 3.053 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000161751702 526600961 /nfs/dbraw/zinc/60/09/61/526600961.db2.gz YMDRJRSBLKZZRM-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000185135352 526665906 /nfs/dbraw/zinc/66/59/06/526665906.db2.gz CMPGVQUOVMASHI-HNNXBMFYSA-N 0 3 306.475 3.297 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000357686318 526670157 /nfs/dbraw/zinc/67/01/57/526670157.db2.gz PIAHNKHCJWXXHB-GOEBONIOSA-N 0 3 317.433 3.246 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000185087842 526697890 /nfs/dbraw/zinc/69/78/90/526697890.db2.gz KJLUDIAEYCISQJ-MRXNPFEDSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCOCCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000348064366 526754589 /nfs/dbraw/zinc/75/45/89/526754589.db2.gz XPNQWEYGGQDUOJ-MRXNPFEDSA-N 0 3 303.402 3.187 20 30 DGEDHN C=CCOCCCN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000348053409 526756421 /nfs/dbraw/zinc/75/64/21/526756421.db2.gz VEHAHWCERBKUAC-INIZCTEOSA-N 0 3 312.417 3.201 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc(C(F)(F)F)s1 ZINC000435747037 526801992 /nfs/dbraw/zinc/80/19/92/526801992.db2.gz CYVBSPQGMZCOCQ-ONGXEEELSA-N 0 3 306.353 3.233 20 30 DGEDHN C=CCOc1ccc(CN(C)CCc2ccccn2)cc1OC ZINC000183733735 526860521 /nfs/dbraw/zinc/86/05/21/526860521.db2.gz QMERCPJCFSDPPD-UHFFFAOYSA-N 0 3 312.413 3.330 20 30 DGEDHN C=C(CNC(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000351826003 526870659 /nfs/dbraw/zinc/87/06/59/526870659.db2.gz CWXMHLVGCDCYHW-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN C=C(Cl)CNC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000165896095 526890627 /nfs/dbraw/zinc/89/06/27/526890627.db2.gz KOQXRTWRDQCJNR-YHWZYXNKSA-N 0 3 300.830 3.259 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](OC)C2(C)C)cc1OC ZINC000344701726 526890755 /nfs/dbraw/zinc/89/07/55/526890755.db2.gz RXHCQBDYPHUHCT-DLBZAZTESA-N 0 3 305.418 3.163 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C[S@@](C)=O)cc1 ZINC000184288854 526891015 /nfs/dbraw/zinc/89/10/15/526891015.db2.gz QVSHAEVMYRMMSL-KQHSUYLTSA-N 0 3 315.866 3.236 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000348194626 526978648 /nfs/dbraw/zinc/97/86/48/526978648.db2.gz WDEGNAUOSPONPF-IBGZPJMESA-N 0 3 312.457 3.420 20 30 DGEDHN C=CC1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000360285227 526983379 /nfs/dbraw/zinc/98/33/79/526983379.db2.gz JBFUCXAFWUFCRD-KRWDZBQOSA-N 0 3 302.393 3.219 20 30 DGEDHN C=CCSCCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000180459052 527005734 /nfs/dbraw/zinc/00/57/34/527005734.db2.gz WZBUTIABOZJQIE-LBPRGKRZSA-N 0 3 311.447 3.282 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000432562787 527007657 /nfs/dbraw/zinc/00/76/57/527007657.db2.gz NXBBNNNDQKLKAQ-INIZCTEOSA-N 0 3 303.450 3.191 20 30 DGEDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000182130809 527026543 /nfs/dbraw/zinc/02/65/43/527026543.db2.gz ZOOLWAMPPZHAFF-CQSZACIVSA-N 0 3 323.396 3.398 20 30 DGEDHN C=CC[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000352986553 527028857 /nfs/dbraw/zinc/02/88/57/527028857.db2.gz KIGWXBIIVWDAFN-ZBFHGGJFSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000346418340 527042785 /nfs/dbraw/zinc/04/27/85/527042785.db2.gz MQACPUKDHMSQMO-QGZVFWFLSA-N 0 3 303.450 3.162 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158582529 527140159 /nfs/dbraw/zinc/14/01/59/527140159.db2.gz RAYYUHMFJOLTNT-ARFHVFGLSA-N 0 3 309.475 3.348 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000355732551 527153129 /nfs/dbraw/zinc/15/31/29/527153129.db2.gz MLADCMJXQQASGJ-QLFBSQMISA-N 0 3 307.438 3.363 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000355835917 527156744 /nfs/dbraw/zinc/15/67/44/527156744.db2.gz VSUOAXPJDDIRKD-BPQIPLTHSA-N 0 3 315.461 3.303 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341452577 527157562 /nfs/dbraw/zinc/15/75/62/527157562.db2.gz ABHCOJRIGOVSLP-WBVHZDCISA-N 0 3 303.450 3.161 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000341273845 527185955 /nfs/dbraw/zinc/18/59/55/527185955.db2.gz OGIKXBNIKSTYSQ-ZDUSSCGKSA-N 0 3 316.357 3.129 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(Sc2ccccn2)o1 ZINC000352734678 527186488 /nfs/dbraw/zinc/18/64/88/527186488.db2.gz ZQTXNNQCEQGMOZ-ZDUSSCGKSA-N 0 3 304.415 3.100 20 30 DGEDHN CC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[O-] ZINC000331249375 527220791 /nfs/dbraw/zinc/22/07/91/527220791.db2.gz XQPSDNMFBPMSJO-CQSZACIVSA-N 0 3 318.417 3.020 20 30 DGEDHN CC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[O-] ZINC000331249375 527220794 /nfs/dbraw/zinc/22/07/94/527220794.db2.gz XQPSDNMFBPMSJO-CQSZACIVSA-N 0 3 318.417 3.020 20 30 DGEDHN C=CCc1cc(CN[C@@H](CO)CC2CCCC2)cc(OC)c1O ZINC000337824036 527243805 /nfs/dbraw/zinc/24/38/05/527243805.db2.gz RZWYETLGTSOAAV-QGZVFWFLSA-N 0 3 319.445 3.160 20 30 DGEDHN C=CCCN(C)Cc1cnc2c(C)cc(Br)cn12 ZINC000343438299 527322048 /nfs/dbraw/zinc/32/20/48/527322048.db2.gz FDFAFMYNLKBFMO-UHFFFAOYSA-N 0 3 308.223 3.413 20 30 DGEDHN C=CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC000337837046 527348044 /nfs/dbraw/zinc/34/80/44/527348044.db2.gz CORLJAIMGDIZKF-HNNXBMFYSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCC[C@@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000435761126 527440139 /nfs/dbraw/zinc/44/01/39/527440139.db2.gz MAKDGZJSSLQADG-FUHWJXTLSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000178066543 527454619 /nfs/dbraw/zinc/45/46/19/527454619.db2.gz HIRGCKJEPVEBTL-QGZVFWFLSA-N 0 3 303.446 3.474 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348231890 527454978 /nfs/dbraw/zinc/45/49/78/527454978.db2.gz IEZDMOAWAORUAL-IAGOWNOFSA-N 0 3 307.409 3.134 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444717802 527460990 /nfs/dbraw/zinc/46/09/90/527460990.db2.gz NJRSRPXLXKDNNG-CHWSQXEVSA-N 0 3 306.372 3.342 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000435100999 527479287 /nfs/dbraw/zinc/47/92/87/527479287.db2.gz MCTCPCATZMXZCA-NJAFHUGGSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](NCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000342191600 527482714 /nfs/dbraw/zinc/48/27/14/527482714.db2.gz JHRJMSDPEWEHNG-AWEZNQCLSA-N 0 3 314.351 3.391 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000448676965 527489475 /nfs/dbraw/zinc/48/94/75/527489475.db2.gz VVTFKNSNRMESGW-SJORKVTESA-N 0 3 302.418 3.058 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663298 527495148 /nfs/dbraw/zinc/49/51/48/527495148.db2.gz XAZILHDYUMRHQA-ZBFHGGJFSA-N 0 3 307.434 3.460 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000442678597 527524774 /nfs/dbraw/zinc/52/47/74/527524774.db2.gz LYRCYDGAJTUEES-IBGZPJMESA-N 0 3 316.445 3.184 20 30 DGEDHN C=CCN(C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CC1 ZINC000415947733 527540204 /nfs/dbraw/zinc/54/02/04/527540204.db2.gz AUHBQLRLHZTEGN-UHFFFAOYSA-N 0 3 313.323 3.346 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000357575115 527540339 /nfs/dbraw/zinc/54/03/39/527540339.db2.gz WRBRWXYNVCNKRX-QGZVFWFLSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000357889179 527540528 /nfs/dbraw/zinc/54/05/28/527540528.db2.gz YMVFIKLWOSDIBL-NVXWUHKLSA-N 0 3 313.445 3.009 20 30 DGEDHN C=C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000358303352 527571238 /nfs/dbraw/zinc/57/12/38/527571238.db2.gz QSPLKAFKSRLXQY-LSDHHAIUSA-N 0 3 322.474 3.086 20 30 DGEDHN C=CCN(CC=C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415975355 527623936 /nfs/dbraw/zinc/62/39/36/527623936.db2.gz TWPUGCWUHAWHKK-UHFFFAOYSA-N 0 3 313.323 3.370 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(C)c1CC)C(C)C ZINC000352606655 527646295 /nfs/dbraw/zinc/64/62/95/527646295.db2.gz IEHOQRXXNJMASH-SFHVURJKSA-N 0 3 317.477 3.016 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccoc1CC)C(C)C ZINC000431373602 527647134 /nfs/dbraw/zinc/64/71/34/527647134.db2.gz ZVNKVHZAOMYSFR-INIZCTEOSA-N 0 3 304.434 3.270 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccsc1)C(C)C ZINC000337219727 527648056 /nfs/dbraw/zinc/64/80/56/527648056.db2.gz KZPQGEVMQNXCJH-MRXNPFEDSA-N 0 3 321.490 3.246 20 30 DGEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000444748653 527777808 /nfs/dbraw/zinc/77/78/08/527777808.db2.gz QZQBPRFJGVAKRV-HOTGVXAUSA-N 0 3 305.466 3.086 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccncc2)CC1 ZINC000157583115 528133336 /nfs/dbraw/zinc/13/33/36/528133336.db2.gz IUICXWGCIFCWAG-UHFFFAOYSA-N 0 3 303.450 3.200 20 30 DGEDHN CC(C)COc1ccc(NC(=O)C23CCCN2CCC3)cn1 ZINC000328802223 528155294 /nfs/dbraw/zinc/15/52/94/528155294.db2.gz ZUNYUUSYALSYMZ-UHFFFAOYSA-N 0 3 303.406 3.333 20 30 DGEDHN CCC[C@H](NC(C)C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000351648499 528212034 /nfs/dbraw/zinc/21/20/34/528212034.db2.gz LTOXHYPVTFLJOA-KRWDZBQOSA-N 0 3 317.433 3.474 20 30 DGEDHN CCN(CCc1cccs1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343568797 528598872 /nfs/dbraw/zinc/59/88/72/528598872.db2.gz PKBYAHDGBHGOKY-WMLDXEAASA-N 0 3 321.490 3.055 20 30 DGEDHN CCOc1ccc([C@@H](NC(=O)C(C)C#N)C(C)C)cc1OCC ZINC000357789611 528600300 /nfs/dbraw/zinc/60/03/00/528600300.db2.gz DKUDCWUXSFHZQP-GUYCJALGSA-N 0 3 318.417 3.457 20 30 DGEDHN CCCc1nc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)co1 ZINC000330827611 528681489 /nfs/dbraw/zinc/68/14/89/528681489.db2.gz SDZOLCQVTCCXBR-MGPQQGTHSA-N 0 3 307.438 3.298 20 30 DGEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccc(OC)c(OC)c1 ZINC000359717175 528685888 /nfs/dbraw/zinc/68/58/88/528685888.db2.gz FGZZNJCZXJXWCI-CYBMUJFWSA-N 0 3 318.417 3.037 20 30 DGEDHN CCCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347044316 528688936 /nfs/dbraw/zinc/68/89/36/528688936.db2.gz XRZXQPWYTLTBSF-QWHCGFSZSA-N 0 3 304.390 3.211 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000353219086 528696475 /nfs/dbraw/zinc/69/64/75/528696475.db2.gz LXCWLKGOSKGCOK-JZXOWHBKSA-N 0 3 313.445 3.078 20 30 DGEDHN CC1(C#N)CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000272649136 528840747 /nfs/dbraw/zinc/84/07/47/528840747.db2.gz YUXWREOVMUZQQI-UHFFFAOYSA-N 0 3 310.401 3.295 20 30 DGEDHN CC(C)N(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000299359302 528878567 /nfs/dbraw/zinc/87/85/67/528878567.db2.gz ILRPCPSVTUELKK-UHFFFAOYSA-N 0 3 311.385 3.390 20 30 DGEDHN CC(C)N(CCN(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160487216 528898171 /nfs/dbraw/zinc/89/81/71/528898171.db2.gz XNQBRJCUCXLXPX-QGZVFWFLSA-N 0 3 316.449 3.013 20 30 DGEDHN CC1(C)CCCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000332330755 528911850 /nfs/dbraw/zinc/91/18/50/528911850.db2.gz LZFVRUYGKWAJAW-QGZVFWFLSA-N 0 3 309.413 3.279 20 30 DGEDHN CCN1CCC(N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000355550959 528972029 /nfs/dbraw/zinc/97/20/29/528972029.db2.gz HMQRWFOFRPLDMD-UHFFFAOYSA-N 0 3 313.445 3.044 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000330680835 529008758 /nfs/dbraw/zinc/00/87/58/529008758.db2.gz OHIXCSDKZRBDKC-HNNXBMFYSA-N 0 3 320.433 3.191 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC000330674480 529008923 /nfs/dbraw/zinc/00/89/23/529008923.db2.gz IHBHQAGQUWFBMA-HNNXBMFYSA-N 0 3 305.422 3.048 20 30 DGEDHN CCSCC[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433358950 529187828 /nfs/dbraw/zinc/18/78/28/529187828.db2.gz APLIMOIETACQOI-GDBMZVCRSA-N 0 3 304.459 3.407 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC000330726704 529272036 /nfs/dbraw/zinc/27/20/36/529272036.db2.gz FTEGHPSTOPMXGJ-OAHLLOKOSA-N 0 3 306.454 3.207 20 30 DGEDHN CC(C)(CNC(=O)Nc1cccc(CC#N)c1)N1CCCCC1 ZINC000455953320 535135118 /nfs/dbraw/zinc/13/51/18/535135118.db2.gz USTHPZDLYHCVFB-UHFFFAOYSA-N 0 3 314.433 3.139 20 30 DGEDHN COc1ccc2c(c1)nc(CNC1CCC(C)(C#N)CC1)n2C ZINC000449253319 537018435 /nfs/dbraw/zinc/01/84/35/537018435.db2.gz YNMCHEURIXNGNE-UHFFFAOYSA-N 0 3 312.417 3.144 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H](CCO)C2)ccc1OC ZINC000093107660 545853560 /nfs/dbraw/zinc/85/35/60/545853560.db2.gz CKBCLZCVINYSCJ-MRXNPFEDSA-N 0 3 319.445 3.245 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC000329215792 546483794 /nfs/dbraw/zinc/48/37/94/546483794.db2.gz NILIWWLUXPQPGN-ZDUSSCGKSA-N 0 3 301.390 3.315 20 30 DGEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329936979 546493806 /nfs/dbraw/zinc/49/38/06/546493806.db2.gz DKSOXLXUCCNQQE-MLGOLLRUSA-N 0 3 307.438 3.129 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667935582 547338573 /nfs/dbraw/zinc/33/85/73/547338573.db2.gz RVCRUSNJZWPYIF-CVEARBPZSA-N 0 3 309.331 3.214 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667935583 547338757 /nfs/dbraw/zinc/33/87/57/547338757.db2.gz RVCRUSNJZWPYIF-HOTGVXAUSA-N 0 3 309.331 3.214 20 30 DGEDHN C=C(C)COc1cc(CN(C)CC2=CCCOC2)ccc1OC ZINC000668568505 547482122 /nfs/dbraw/zinc/48/21/22/547482122.db2.gz IKTLLWNSOUYVET-UHFFFAOYSA-N 0 3 317.429 3.429 20 30 DGEDHN Cc1ccncc1[C@@H](C)NCC#CCN[C@@H](C)c1cnccc1C ZINC000671243008 547780751 /nfs/dbraw/zinc/78/07/51/547780751.db2.gz FRQYRIIHDQVRRS-HDICACEKSA-N 0 3 322.456 3.098 20 30 DGEDHN C=C(CNC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000672668259 547901849 /nfs/dbraw/zinc/90/18/49/547901849.db2.gz NDSNXUVEEKIYMR-IBGZPJMESA-N 0 3 323.440 3.302 20 30 DGEDHN COCC#CCN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000677133032 548457807 /nfs/dbraw/zinc/45/78/07/548457807.db2.gz DNHDHIHOKCEJPD-UHFFFAOYSA-N 0 3 322.246 3.062 20 30 DGEDHN CCCN(CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccc(C#N)cc1 ZINC000677477789 548506275 /nfs/dbraw/zinc/50/62/75/548506275.db2.gz XQYXKNMDHCEYMT-UHFFFAOYSA-N 0 3 324.428 3.247 20 30 DGEDHN CCCN(CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000677477789 548506277 /nfs/dbraw/zinc/50/62/77/548506277.db2.gz XQYXKNMDHCEYMT-UHFFFAOYSA-N 0 3 324.428 3.247 20 30 DGEDHN OCC1(NCC#Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000678972917 548804140 /nfs/dbraw/zinc/80/41/40/548804140.db2.gz HHKAPAHAGNEBPD-UHFFFAOYSA-N 0 3 311.347 3.342 20 30 DGEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679217889 548847476 /nfs/dbraw/zinc/84/74/76/548847476.db2.gz KHYUROOKLKYOFY-LLVKDONJSA-N 0 3 304.217 3.241 20 30 DGEDHN C=CCOCCNCC1=Cc2cc(Br)ccc2OC1 ZINC000679486283 548903376 /nfs/dbraw/zinc/90/33/76/548903376.db2.gz JELMPMVABOQHJV-UHFFFAOYSA-N 0 3 324.218 3.017 20 30 DGEDHN C=CCOCCNCc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000679486955 548903983 /nfs/dbraw/zinc/90/39/83/548903983.db2.gz VLKDOAJORBOXIX-UHFFFAOYSA-N 0 3 321.371 3.060 20 30 DGEDHN C=CC[C@@H](CO)NCc1c(OC(F)F)ccc2ccccc21 ZINC000680484438 549058477 /nfs/dbraw/zinc/05/84/77/549058477.db2.gz IYFQMHHVMQJIPG-ZDUSSCGKSA-N 0 3 307.340 3.468 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000680996522 549142417 /nfs/dbraw/zinc/14/24/17/549142417.db2.gz ZXFNKORDNUJHIK-KXBFYZLASA-N 0 3 313.828 3.446 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000682043296 549280957 /nfs/dbraw/zinc/28/09/57/549280957.db2.gz NPLMGTKZQUXKEA-INIZCTEOSA-N 0 3 300.402 3.253 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000682043297 549281157 /nfs/dbraw/zinc/28/11/57/549281157.db2.gz NPLMGTKZQUXKEA-MRXNPFEDSA-N 0 3 300.402 3.253 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000682383431 549313221 /nfs/dbraw/zinc/31/32/21/549313221.db2.gz ZRCOXCMDBQLZHK-MJGOQNOKSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1(C)C ZINC000683564687 549506168 /nfs/dbraw/zinc/50/61/68/549506168.db2.gz KUDAZENFQAZYSP-IRXDYDNUSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCN1CC[C@@H](N(CCc2ccc(F)cc2)CC(C)C)C1=O ZINC000685000364 549732084 /nfs/dbraw/zinc/73/20/84/549732084.db2.gz PMQYVALRTWXPFD-GOSISDBHSA-N 0 3 318.436 3.113 20 30 DGEDHN C#CCOc1ccccc1CNC[C@]1(O)CCCc2ccccc21 ZINC000731361201 574547826 /nfs/dbraw/zinc/54/78/26/574547826.db2.gz ZJTJBSQHJYJUFM-OAQYLSRUSA-N 0 3 321.420 3.012 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000741465099 574549736 /nfs/dbraw/zinc/54/97/36/574549736.db2.gz SXVISEFNMOXEKG-GNRRYOLQSA-N 0 3 303.450 3.140 20 30 DGEDHN C#CCN(Cc1ccc(F)cc1)C(=O)CN(C)CCCCCC ZINC000731871635 574560683 /nfs/dbraw/zinc/56/06/83/574560683.db2.gz OZRFZDCJQXKCQX-UHFFFAOYSA-N 0 3 318.436 3.300 20 30 DGEDHN C=C(C)CNC(=S)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000733211580 574607599 /nfs/dbraw/zinc/60/75/99/574607599.db2.gz OGQYUUBVSBWKTM-UHFFFAOYSA-N 0 3 317.502 3.033 20 30 DGEDHN C=CCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C(C)C ZINC000734217170 574654124 /nfs/dbraw/zinc/65/41/24/574654124.db2.gz DTFFBVQFICHZTP-GOSISDBHSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CC[C@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000734988462 574685026 /nfs/dbraw/zinc/68/50/26/574685026.db2.gz YZYMSRGNSHUZJU-HNNXBMFYSA-N 0 3 317.502 3.080 20 30 DGEDHN C=C(Cl)CNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000736397886 574747716 /nfs/dbraw/zinc/74/77/16/574747716.db2.gz JNQHWLJLWJIYFC-OAHLLOKOSA-N 0 3 309.841 3.121 20 30 DGEDHN C=C(Cl)CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000736400360 574748013 /nfs/dbraw/zinc/74/80/13/574748013.db2.gz RNNOFHMCWDZEFL-ZDUSSCGKSA-N 0 3 315.870 3.183 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@H+](CC)C[C@H]2CCOC2)c1[O-] ZINC000738082806 574858576 /nfs/dbraw/zinc/85/85/76/574858576.db2.gz SWOIINGRVGQECU-OAHLLOKOSA-N 0 3 319.445 3.378 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@@H+](CC)C[C@H]2CCOC2)c1[O-] ZINC000738082806 574858578 /nfs/dbraw/zinc/85/85/78/574858578.db2.gz SWOIINGRVGQECU-OAHLLOKOSA-N 0 3 319.445 3.378 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000740900184 574945679 /nfs/dbraw/zinc/94/56/79/574945679.db2.gz LHICHRIHBKTZAF-QGZVFWFLSA-N 0 3 315.438 3.364 20 30 DGEDHN C[C@@H]1CC(N=Nc2ncnc3sc4c(c32)CCC4)CCN1C ZINC000741458189 574958345 /nfs/dbraw/zinc/95/83/45/574958345.db2.gz YLNHCTHUMWSSKG-SNVBAGLBSA-N 0 3 315.446 3.062 20 30 DGEDHN C[C@H]1CC(N=Nc2ncnc3c4ccccc4oc32)CCN1C ZINC000741462823 574958595 /nfs/dbraw/zinc/95/85/95/574958595.db2.gz WHQMSBKONKUDHH-NSHDSACASA-N 0 3 309.373 3.258 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(N3CCCCC3)cc2)o1 ZINC000742367931 574992494 /nfs/dbraw/zinc/99/24/94/574992494.db2.gz SRHMTYCUVJNJFP-UHFFFAOYSA-N 0 3 309.413 3.474 20 30 DGEDHN CC(C)(CCC#N)CNCC(=O)Nc1cccc2cccnc21 ZINC000742368856 574992919 /nfs/dbraw/zinc/99/29/19/574992919.db2.gz PXJGNLMIBAXUOI-UHFFFAOYSA-N 0 3 310.401 3.093 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccco1 ZINC000744027803 575069226 /nfs/dbraw/zinc/06/92/26/575069226.db2.gz DUDIAJISFPNKBH-GHMZBOCLSA-N 0 3 316.744 3.384 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000744038461 575069492 /nfs/dbraw/zinc/06/94/92/575069492.db2.gz VOSRKCBWHCICNK-ABAIWWIYSA-N 0 3 318.804 3.211 20 30 DGEDHN CN(C)CCOc1ccc(CCNc2ccc(C#N)cc2)cc1 ZINC000729183807 575222834 /nfs/dbraw/zinc/22/28/34/575222834.db2.gz RYBLTVORZFLYSF-UHFFFAOYSA-N 0 3 309.413 3.153 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000729942619 575267631 /nfs/dbraw/zinc/26/76/31/575267631.db2.gz PPWXYWPZDKHGBV-GOEBONIOSA-N 0 3 309.523 3.070 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@H](C)c2ccccc2)CC1 ZINC000729941818 575267685 /nfs/dbraw/zinc/26/76/85/575267685.db2.gz DEPUBLXJNKDWPY-OAHLLOKOSA-N 0 3 317.502 3.252 20 30 DGEDHN COc1ccc(CNCC2=Cc3ccccc3OC2)cc1C#N ZINC000746742216 575472967 /nfs/dbraw/zinc/47/29/67/575472967.db2.gz RZSSTGACEKZOBH-UHFFFAOYSA-N 0 3 306.365 3.132 20 30 DGEDHN CN(C)[C@H](C/N=C/c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000746816758 575476585 /nfs/dbraw/zinc/47/65/85/575476585.db2.gz UFIUORABYQVQNV-GDXCHIGESA-N 0 3 318.804 3.473 20 30 DGEDHN Cc1ccccc1[C@H](CO)NCc1ccc(N(C)CCC#N)cc1 ZINC000747100687 575496575 /nfs/dbraw/zinc/49/65/75/575496575.db2.gz NKUHBWNYFXQARC-FQEVSTJZSA-N 0 3 323.440 3.168 20 30 DGEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000747204315 575505513 /nfs/dbraw/zinc/50/55/13/575505513.db2.gz HEOJOUCXZWVZTP-SKDRFNHKSA-N 0 3 310.806 3.129 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)C#Cc1ccccc1)c1ccccc1 ZINC000747221075 575506565 /nfs/dbraw/zinc/50/65/65/575506565.db2.gz XFSLUAGKWUOPEY-KRWDZBQOSA-N 0 3 320.436 3.284 20 30 DGEDHN CCOCc1cc(CNCc2ccc(C#N)cc2)ccc1OC ZINC000747853945 575546108 /nfs/dbraw/zinc/54/61/08/575546108.db2.gz JXTLTMFUEBBPSS-UHFFFAOYSA-N 0 3 310.397 3.393 20 30 DGEDHN C#CCOc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000749247382 575638694 /nfs/dbraw/zinc/63/86/94/575638694.db2.gz NTTLOAJEWRYFQY-GOSISDBHSA-N 0 3 312.413 3.044 20 30 DGEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(OCC#N)cc1 ZINC000749460617 575658446 /nfs/dbraw/zinc/65/84/46/575658446.db2.gz OLPWIYZTSVDBKB-YWZLYKJASA-N 0 3 322.408 3.413 20 30 DGEDHN CC(=NN=C1CCCC[C@@H]1N1CCCCCC1)c1cnccn1 ZINC000749813930 575680370 /nfs/dbraw/zinc/68/03/70/575680370.db2.gz HCZUSINAEXNSKS-SFHVURJKSA-N 0 3 313.449 3.460 20 30 DGEDHN [O-]c1c(O)ccc(/C=N/C2CCC([NH+]3CCCCC3)CC2)c1O ZINC000750818037 575753643 /nfs/dbraw/zinc/75/36/43/575753643.db2.gz NAEVFPZFKJPZJZ-XDHOZWIPSA-N 0 3 318.417 3.019 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(C#N)c1 ZINC000751521532 575788487 /nfs/dbraw/zinc/78/84/87/575788487.db2.gz QFTLKJLNBWVTRH-OAHLLOKOSA-N 0 3 304.397 3.478 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H](C)CCCCCCC)CC1 ZINC000742356166 575840059 /nfs/dbraw/zinc/84/00/59/575840059.db2.gz RSZCUDPCCLCMBM-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000726461271 576025119 /nfs/dbraw/zinc/02/51/19/576025119.db2.gz YTHPYWHNQGKUGC-CABCVRRESA-N 0 3 315.486 3.075 20 30 DGEDHN C#CCNC(=O)[C@@H](C)NCC1(c2ccccc2)CCCCCC1 ZINC000727464368 576126785 /nfs/dbraw/zinc/12/67/85/576126785.db2.gz KQYXLPGMASBBEZ-QGZVFWFLSA-N 0 3 312.457 3.006 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1nc2ccccc2n1C(F)F ZINC000740535211 576198122 /nfs/dbraw/zinc/19/81/22/576198122.db2.gz LAVHIPCNDQTLQU-WDEREUQCSA-N 0 3 319.311 3.034 20 30 DGEDHN CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000916622854 620639936 /nfs/dbraw/zinc/63/99/36/620639936.db2.gz OIDVPNKSHYJEEG-ZDUSSCGKSA-N 0 3 313.426 3.204 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(CCN2CC[C@@](C)(C#N)C2)CC1 ZINC000852686273 620641235 /nfs/dbraw/zinc/64/12/35/620641235.db2.gz HEKYNYXNSZMSNF-SFHVURJKSA-N 0 3 321.465 3.259 20 30 DGEDHN C=CCN(C(=O)Nc1cc(CN(C)C)ccc1OC)C(C)C ZINC000916708426 620643191 /nfs/dbraw/zinc/64/31/91/620643191.db2.gz YRSISIWTIFJLAY-UHFFFAOYSA-N 0 3 305.422 3.185 20 30 DGEDHN N#CC(C(=O)CCc1ccco1)C(=O)Nc1ccccc1Cl ZINC000916911716 620650119 /nfs/dbraw/zinc/65/01/19/620650119.db2.gz WNZZCYGQQXIJLF-GFCCVEGCSA-N 0 3 316.744 3.213 20 30 DGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916924409 620649686 /nfs/dbraw/zinc/64/96/86/620649686.db2.gz CQEAAVFQYBGACG-NSHDSACASA-N 0 3 324.327 3.168 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852847867 620651998 /nfs/dbraw/zinc/65/19/98/620651998.db2.gz WBRQWEAMQRLEKO-HIFRSBDPSA-N 0 3 321.852 3.248 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(C2CCCCC2)CC1 ZINC000917060576 620654137 /nfs/dbraw/zinc/65/41/37/620654137.db2.gz XVNDOIUOPMOMKS-OAHLLOKOSA-N 0 3 305.466 3.039 20 30 DGEDHN CC(=NN1CCCC[C@H]1C)c1cccc(N2CCOCC2)c1 ZINC000853381027 620690659 /nfs/dbraw/zinc/69/06/59/620690659.db2.gz VOLKGKCCFCDSRQ-OAHLLOKOSA-N 0 3 301.434 3.122 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C(C)C ZINC000918057320 620695745 /nfs/dbraw/zinc/69/57/45/620695745.db2.gz KKMROAUPNFDPIT-GOSISDBHSA-N 0 3 317.477 3.458 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248030 617759849 /nfs/dbraw/zinc/75/98/49/617759849.db2.gz KGPXFGJRNDLCDK-MJGOQNOKSA-N 0 3 317.477 3.074 20 30 DGEDHN C#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000891313755 617772715 /nfs/dbraw/zinc/77/27/15/617772715.db2.gz XNLRJOZBJMYNMK-ZIAGYGMSSA-N 0 3 311.303 3.354 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000891510182 617819574 /nfs/dbraw/zinc/81/95/74/617819574.db2.gz WAHNVZYVDXLTKJ-SFHVURJKSA-N 0 3 321.424 3.208 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000892259546 617998475 /nfs/dbraw/zinc/99/84/75/617998475.db2.gz BWRAFYAKCORZJF-GDBMZVCRSA-N 0 3 301.434 3.086 20 30 DGEDHN C=CCN1CCC(Nc2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC000892397529 618056040 /nfs/dbraw/zinc/05/60/40/618056040.db2.gz VEVSYPZCNGNFGM-UHFFFAOYSA-N 0 3 317.433 3.099 20 30 DGEDHN N#CC(C(=O)Cc1cc2ccccc2o1)C(=O)Nc1ccccc1 ZINC000920108600 620784039 /nfs/dbraw/zinc/78/40/39/620784039.db2.gz IPUFVTPDQICXAW-INIZCTEOSA-N 0 3 318.332 3.323 20 30 DGEDHN C=CCC[C@H](CO)NCc1nc(-c2cccc(OC)c2)cs1 ZINC000894768489 618448641 /nfs/dbraw/zinc/44/86/41/618448641.db2.gz ANEYAIHHQOEYQQ-CQSZACIVSA-N 0 3 318.442 3.235 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000925524028 618461541 /nfs/dbraw/zinc/46/15/41/618461541.db2.gz WYOITSPPHGLMCW-LLVKDONJSA-N 0 3 301.369 3.029 20 30 DGEDHN C=CC[C@H](CO)NCc1sccc1NC(=O)OC(C)(C)C ZINC000893567564 618604165 /nfs/dbraw/zinc/60/41/65/618604165.db2.gz NKNDUGFQAVBLOP-LLVKDONJSA-N 0 3 312.435 3.122 20 30 DGEDHN CC[C@@H](CC#N)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893605718 618614839 /nfs/dbraw/zinc/61/48/39/618614839.db2.gz IFVFQIHXXACGDS-YOEHRIQHSA-N 0 3 309.454 3.305 20 30 DGEDHN Cc1coc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000893986585 618689909 /nfs/dbraw/zinc/68/99/09/618689909.db2.gz PIAZWAVGYUNOLL-UHFFFAOYSA-N 0 3 323.396 3.310 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000895524562 618795672 /nfs/dbraw/zinc/79/56/72/618795672.db2.gz OFSYRHAHFHIGAV-KRWDZBQOSA-N 0 3 304.434 3.159 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@@H]1C[C@]1(C)Br ZINC000895785012 618830720 /nfs/dbraw/zinc/83/07/20/618830720.db2.gz AXQPWEBOZXXXKX-GJZGRUSLSA-N 0 3 307.235 3.206 20 30 DGEDHN C=CCC1(O)CCN(Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000895835336 618839540 /nfs/dbraw/zinc/83/95/40/618839540.db2.gz DMJGBSCAKGDLPJ-UHFFFAOYSA-N 0 3 311.429 3.288 20 30 DGEDHN C=CCC1(O)CCN(Cc2cc3cccc(OC)c3o2)CC1 ZINC000895835765 618840073 /nfs/dbraw/zinc/84/00/73/618840073.db2.gz OBYRTFAZJMIXSW-UHFFFAOYSA-N 0 3 301.386 3.344 20 30 DGEDHN COc1cccc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000896660076 618940254 /nfs/dbraw/zinc/94/02/54/618940254.db2.gz JPVVPNUZZZYZEK-QGZVFWFLSA-N 0 3 322.412 3.038 20 30 DGEDHN CCc1noc([C@H]2CC[C@@H](NCc3cccc(F)c3C#N)C2)n1 ZINC000897046427 619006215 /nfs/dbraw/zinc/00/62/15/619006215.db2.gz YYKBSVXWBVCBOG-WCQYABFASA-N 0 3 314.364 3.069 20 30 DGEDHN C=CCCCCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897418599 619108764 /nfs/dbraw/zinc/10/87/64/619108764.db2.gz MAAWCHRWMATMFJ-KRWDZBQOSA-N 0 3 304.434 3.207 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)c1ccc(Cl)cc1 ZINC000026331320 619143192 /nfs/dbraw/zinc/14/31/92/619143192.db2.gz SVLDKYCMORZWCO-KRWDZBQOSA-N 0 3 300.789 3.377 20 30 DGEDHN CC[C@](O)(CCC(F)(F)F)CNCc1ccc(C#N)cc1F ZINC000897523805 619145202 /nfs/dbraw/zinc/14/52/02/619145202.db2.gz XPYCIWNFMKKFGP-AWEZNQCLSA-N 0 3 318.314 3.271 20 30 DGEDHN COc1ccc(C[C@@H](C)CNCc2nc(C#N)cs2)cc1F ZINC000897629874 619168984 /nfs/dbraw/zinc/16/89/84/619168984.db2.gz ZUEQFXDDDULQOZ-LLVKDONJSA-N 0 3 319.405 3.131 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC1CC2(C1)CO[C@@H](C)C2 ZINC000897779193 619181750 /nfs/dbraw/zinc/18/17/50/619181750.db2.gz NUGOCMQVAJNMNQ-VNSJNIRKSA-N 0 3 319.832 3.399 20 30 DGEDHN Cc1nc2ccccn2c1CNCc1c(C)cc(C#N)cc1C ZINC000898272119 619230960 /nfs/dbraw/zinc/23/09/60/619230960.db2.gz RBCGYUUPOVAIDI-UHFFFAOYSA-N 0 3 304.397 3.421 20 30 DGEDHN Cc1nc2ccccn2c1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000898272337 619231240 /nfs/dbraw/zinc/23/12/40/619231240.db2.gz VJLVQDVKPKVDBZ-UHFFFAOYSA-N 0 3 316.408 3.488 20 30 DGEDHN C=CCN(C(=O)[C@H](NC(C)C)c1ccc(OC)cc1)C(C)C ZINC000899146922 619313868 /nfs/dbraw/zinc/31/38/68/619313868.db2.gz DHVCDACQUFRHSL-QGZVFWFLSA-N 0 3 304.434 3.157 20 30 DGEDHN C#CCN(C(=S)Nc1ccc(C)cc1C)C1CCN(C)CC1 ZINC000899613497 619360448 /nfs/dbraw/zinc/36/04/48/619360448.db2.gz DBFGVNXPFUDRHZ-UHFFFAOYSA-N 0 3 315.486 3.030 20 30 DGEDHN C[C@@](O)(CNCc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000899876358 619380156 /nfs/dbraw/zinc/38/01/56/619380156.db2.gz RNDDBPMXDIKAEF-SNVBAGLBSA-N 0 3 319.220 3.003 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000901689587 619534016 /nfs/dbraw/zinc/53/40/16/619534016.db2.gz DCFOQRFMGMWPOL-BHYGNILZSA-N 0 3 308.466 3.039 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C(=O)[O-] ZINC000901689590 619534068 /nfs/dbraw/zinc/53/40/68/619534068.db2.gz DCFOQRFMGMWPOL-PVAVHDDUSA-N 0 3 308.466 3.039 20 30 DGEDHN CC[C@H](NCc1ccc(C(=O)NC)cc1)c1cccc(C#N)c1 ZINC000902740321 619665521 /nfs/dbraw/zinc/66/55/21/619665521.db2.gz RPBUVIMRZPICEQ-SFHVURJKSA-N 0 3 307.397 3.159 20 30 DGEDHN C[C@H](NCCOc1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902770822 619673321 /nfs/dbraw/zinc/67/33/21/619673321.db2.gz VJTKZBQNPBWQQV-LBPRGKRZSA-N 0 3 301.777 3.336 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902806907 619675878 /nfs/dbraw/zinc/67/58/78/619675878.db2.gz QJWADGVZXPWMDA-DOTOQJQBSA-N 0 3 306.413 3.273 20 30 DGEDHN CC[C@@H](NCC(=O)N(C)C1CCCCC1)c1cccc(C#N)c1 ZINC000902832342 619681940 /nfs/dbraw/zinc/68/19/40/619681940.db2.gz UAZRMVAUMKYEGN-GOSISDBHSA-N 0 3 313.445 3.390 20 30 DGEDHN CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000903088547 619713674 /nfs/dbraw/zinc/71/36/74/619713674.db2.gz KZFRQGYMCPGOAD-RYUDHWBXSA-N 0 3 322.277 3.157 20 30 DGEDHN CCN(CC)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1F ZINC000905082782 619968338 /nfs/dbraw/zinc/96/83/38/619968338.db2.gz XBDDMOBARFYKCM-LFTLCWSBSA-N 0 3 314.364 3.104 20 30 DGEDHN CC1/C(=C\c2ccccc2OC2CCCC2)C(=O)c2ncnn21 ZINC000905080891 619968373 /nfs/dbraw/zinc/96/83/73/619968373.db2.gz NBPAWTZJJCMLTL-XBUHWIKASA-N 0 3 309.369 3.440 20 30 DGEDHN Cc1cc(C(F)(F)F)ccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905083091 619968387 /nfs/dbraw/zinc/96/83/87/619968387.db2.gz BGCPAYGEOCCYSL-DKBJHAQFSA-N 0 3 307.275 3.446 20 30 DGEDHN Cc1sc(/C=C2\C(=O)c3ncnn3C2C)cc1Br ZINC000905085621 619968717 /nfs/dbraw/zinc/96/87/17/619968717.db2.gz OTHLKEICKJZZLB-AZHJHODPSA-N 0 3 324.203 3.251 20 30 DGEDHN CC1/C(=C\c2ccc(CC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905087815 619969031 /nfs/dbraw/zinc/96/90/31/619969031.db2.gz ZRIXBHWIRMMADQ-DAVUEJTQSA-N 0 3 307.275 3.224 20 30 DGEDHN C#CC[C@H](NC[C@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000905187941 619976682 /nfs/dbraw/zinc/97/66/82/619976682.db2.gz GJVZVINRUYJNEE-STQMWFEESA-N 0 3 321.289 3.289 20 30 DGEDHN Cc1cc(C(=O)Nc2ccccc2CN(C)C)cc(C)c1C#N ZINC000906084311 620055478 /nfs/dbraw/zinc/05/54/78/620055478.db2.gz USBBOCYLQZWNMC-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000911646713 620340120 /nfs/dbraw/zinc/34/01/20/620340120.db2.gz WJAVYKVFAMYJBB-CQSZACIVSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1F ZINC000911928555 620353238 /nfs/dbraw/zinc/35/32/38/620353238.db2.gz CGPHYYMLVBZBPJ-LLVKDONJSA-N 0 3 315.186 3.210 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCC)c(OCC)c1 ZINC000911982395 620357538 /nfs/dbraw/zinc/35/75/38/620357538.db2.gz PVAARDUJHYQPRX-AWEZNQCLSA-N 0 3 306.406 3.106 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000912023777 620360859 /nfs/dbraw/zinc/36/08/59/620360859.db2.gz RJMHJTRUKVCQCO-CQSZACIVSA-N 0 3 314.351 3.347 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OC(F)(F)F ZINC000912153863 620370640 /nfs/dbraw/zinc/37/06/40/620370640.db2.gz XZHOOXFFZCIVSP-SNVBAGLBSA-N 0 3 302.296 3.207 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000912155260 620370799 /nfs/dbraw/zinc/37/07/99/620370799.db2.gz IZKZVNZCXVNKQX-ZDUSSCGKSA-N 0 3 300.324 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000912171409 620371714 /nfs/dbraw/zinc/37/17/14/620371714.db2.gz VIARTMGXWXSTPP-ZDUSSCGKSA-N 0 3 316.323 3.250 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000912259859 620374710 /nfs/dbraw/zinc/37/47/10/620374710.db2.gz YDCOEJORFUYIDM-MRXNPFEDSA-N 0 3 310.401 3.074 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000912373200 620383668 /nfs/dbraw/zinc/38/36/68/620383668.db2.gz JUUPNRZCPFOQRU-RISCZKNCSA-N 0 3 312.360 3.149 20 30 DGEDHN C=C(C)CNC(=S)NC[C@H](c1ccsc1)N(CC)CC ZINC000915126517 620569839 /nfs/dbraw/zinc/56/98/39/620569839.db2.gz HDZCKHAEKNHHJW-CQSZACIVSA-N 0 3 311.520 3.171 20 30 DGEDHN C=C(C)CNC(=S)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000840766356 620885539 /nfs/dbraw/zinc/88/55/39/620885539.db2.gz KMTCGCAIGQKBBD-HNNXBMFYSA-N 0 3 323.531 3.051 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000113351351 620905110 /nfs/dbraw/zinc/90/51/10/620905110.db2.gz PTNHJEXCDJUSOQ-AWEZNQCLSA-N 0 3 323.396 3.040 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC000921561801 620909672 /nfs/dbraw/zinc/90/96/72/620909672.db2.gz LMAUARJRPDWUJY-PVAVHDDUSA-N 0 3 301.434 3.086 20 30 DGEDHN CC[C@H](NCc1csc(C#N)c1)[C@H](O)c1c(F)cccc1F ZINC000921803489 620951976 /nfs/dbraw/zinc/95/19/76/620951976.db2.gz FBCHZWRHMQWBTE-HOCLYGCPSA-N 0 3 322.380 3.500 20 30 DGEDHN CO[C@@H](CNCc1cc(C#N)ccc1Br)C(C)C ZINC000921807429 620952447 /nfs/dbraw/zinc/95/24/47/620952447.db2.gz QPKOEUXZYOQDHI-AWEZNQCLSA-N 0 3 311.223 3.081 20 30 DGEDHN N#Cc1ccc(Br)c(CNC[C@H]2CCCS2)c1 ZINC000921834209 620958105 /nfs/dbraw/zinc/95/81/05/620958105.db2.gz WRQKZYZXLOQFAG-GFCCVEGCSA-N 0 3 311.248 3.306 20 30 DGEDHN COc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1C#N ZINC000921916161 620968224 /nfs/dbraw/zinc/96/82/24/620968224.db2.gz BPWALDGSFOOWSE-ZDUSSCGKSA-N 0 3 308.381 3.180 20 30 DGEDHN C=CCCC(C)(C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000856373028 620989863 /nfs/dbraw/zinc/98/98/63/620989863.db2.gz WODASBIZSZFDNR-GJZGRUSLSA-N 0 3 301.386 3.152 20 30 DGEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114620766 621024744 /nfs/dbraw/zinc/02/47/44/621024744.db2.gz AMZZFKPNXLUNHV-MWLCHTKSSA-N 0 3 303.412 3.133 20 30 DGEDHN CN(C)c1ccnc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000922477934 621043675 /nfs/dbraw/zinc/04/36/75/621043675.db2.gz GGTDFDSOGPKHBH-UHFFFAOYSA-N 0 3 324.428 3.120 20 30 DGEDHN C#CCOc1ccccc1CNCc1c(C)cc(CO)cc1C ZINC000922562189 621055820 /nfs/dbraw/zinc/05/58/20/621055820.db2.gz ZKLCZUONPLNVCJ-UHFFFAOYSA-N 0 3 309.409 3.098 20 30 DGEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cc2n(n1)CCCC2 ZINC000922604843 621065878 /nfs/dbraw/zinc/06/58/78/621065878.db2.gz ZCIZCTANFPDNJM-UHFFFAOYSA-N 0 3 308.429 3.202 20 30 DGEDHN CC(CN1CCCCCC1)N=Nc1nc2cccnc2s1 ZINC000857218734 621069742 /nfs/dbraw/zinc/06/97/42/621069742.db2.gz QAGAUGSJGSQVLS-UHFFFAOYSA-N 0 3 303.435 3.355 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)O2)c(F)c1 ZINC000922698914 621084551 /nfs/dbraw/zinc/08/45/51/621084551.db2.gz TVKJIRUUMCDEQE-OCCSQVGLSA-N 0 3 316.298 3.287 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000858040498 621147504 /nfs/dbraw/zinc/14/75/04/621147504.db2.gz OSQZQYQKAXAAQG-CRAIPNDOSA-N 0 3 307.397 3.476 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc21)C(=O)NC1CCCCC1 ZINC000115903474 621157902 /nfs/dbraw/zinc/15/79/02/621157902.db2.gz LOQFBGOIQIUOBX-YJBOKZPZSA-N 0 3 324.424 3.264 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000116592015 621254944 /nfs/dbraw/zinc/25/49/44/621254944.db2.gz WOOXKWCYBJYXFD-BBRMVZONSA-N 0 3 318.392 3.335 20 30 DGEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(F)c1 ZINC000116593390 621255542 /nfs/dbraw/zinc/25/55/42/621255542.db2.gz YIGTVNNLNVSCQO-MLGOLLRUSA-N 0 3 316.376 3.087 20 30 DGEDHN C#CCC[C@H](C)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000839036064 621311946 /nfs/dbraw/zinc/31/19/46/621311946.db2.gz QGYSHWOEDWJTQL-WFASDCNBSA-N 0 3 319.788 3.038 20 30 DGEDHN C=CCC(F)(F)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000839231217 621353655 /nfs/dbraw/zinc/35/36/55/621353655.db2.gz ICYSXVJDVACNEJ-GOEBONIOSA-N 0 3 320.383 3.341 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(O)CCCCC1 ZINC000839470793 621379353 /nfs/dbraw/zinc/37/93/53/621379353.db2.gz QJLZTSGPTBDRBM-UHFFFAOYSA-N 0 3 304.390 3.278 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860463872 621408078 /nfs/dbraw/zinc/40/80/78/621408078.db2.gz JCXSMEGQZJVBPZ-UONOGXRCSA-N 0 3 304.390 3.179 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)c2ccco2)c1 ZINC000860469160 621408550 /nfs/dbraw/zinc/40/85/50/621408550.db2.gz PKVUJHLXCJVOSB-UKRRQHHQSA-N 0 3 310.353 3.429 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000860470562 621408556 /nfs/dbraw/zinc/40/85/56/621408556.db2.gz QNBXDMPJAKCRIB-HOTGVXAUSA-N 0 3 316.401 3.102 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000860468373 621408586 /nfs/dbraw/zinc/40/85/86/621408586.db2.gz BRECTKFEQXIPQQ-FZMZJTMJSA-N 0 3 322.792 3.193 20 30 DGEDHN C[C@@H]1CC(N=Nc2cccc(Br)c2)CN1C1CC1 ZINC000753954291 621473861 /nfs/dbraw/zinc/47/38/61/621473861.db2.gz CQMBQTGVAXCJCN-SNVBAGLBSA-N 0 3 308.223 3.474 20 30 DGEDHN CCN(Cc1nc2ccccc2c(=O)n1CC#N)C1CCCCC1 ZINC000754420050 621510052 /nfs/dbraw/zinc/51/00/52/621510052.db2.gz LEKGYMYGPFJEPA-UHFFFAOYSA-N 0 3 324.428 3.075 20 30 DGEDHN C#CC[C@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000862444444 621591205 /nfs/dbraw/zinc/59/12/05/621591205.db2.gz AKGIIVDCRBEJTO-LBPRGKRZSA-N 0 3 301.340 3.200 20 30 DGEDHN CCOc1ccc(O)c(CN2CCc3c(CC#N)cccc3C2)c1 ZINC000862542616 621599713 /nfs/dbraw/zinc/59/97/13/621599713.db2.gz VLHTXKDXHLSAIR-UHFFFAOYSA-N 0 3 322.408 3.415 20 30 DGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc(Br)c1 ZINC000755891599 621600744 /nfs/dbraw/zinc/60/07/44/621600744.db2.gz CNTFDQNFBVCFJD-SNVBAGLBSA-N 0 3 308.223 3.331 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863031920 621634174 /nfs/dbraw/zinc/63/41/74/621634174.db2.gz KJBFAOZFDZOEIL-SJORKVTESA-N 0 3 323.481 3.091 20 30 DGEDHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758202116 621765673 /nfs/dbraw/zinc/76/56/73/621765673.db2.gz GICZWCGZUPOFSO-OALUTQOASA-N 0 3 321.424 3.336 20 30 DGEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758202122 621765703 /nfs/dbraw/zinc/76/57/03/621765703.db2.gz GICZWCGZUPOFSO-RTBURBONSA-N 0 3 321.424 3.336 20 30 DGEDHN C=C1CC(C)(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000864567333 621786000 /nfs/dbraw/zinc/78/60/00/621786000.db2.gz FHFROFFLDVSEJU-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN Cc1ccccc1CC1CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000759051148 621821727 /nfs/dbraw/zinc/82/17/27/621821727.db2.gz UKHIJUQWADGIKW-FQEVSTJZSA-N 0 3 306.409 3.075 20 30 DGEDHN N#CC(C(=O)CCc1ccncc1)c1ccc2ccccc2n1 ZINC000759186423 621833471 /nfs/dbraw/zinc/83/34/71/621833471.db2.gz GUCHUTBRUCPQTF-INIZCTEOSA-N 0 3 301.349 3.439 20 30 DGEDHN N#CC(C(=O)c1ccc(SC(F)F)cc1)c1ccncn1 ZINC000760360478 621935358 /nfs/dbraw/zinc/93/53/58/621935358.db2.gz ZJHYHMUXZQXTJY-NSHDSACASA-N 0 3 305.309 3.281 20 30 DGEDHN C=CC(C)(C)CNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865588570 621957563 /nfs/dbraw/zinc/95/75/63/621957563.db2.gz HEEDYCACYPJDJT-UHFFFAOYSA-N 0 3 306.410 3.125 20 30 DGEDHN N#Cc1ccccc1N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000865696354 621979391 /nfs/dbraw/zinc/97/93/91/621979391.db2.gz ADXJEMQSCMBKIL-UHFFFAOYSA-N 0 3 307.397 3.022 20 30 DGEDHN Cc1cc(N=NC2CN(Cc3ccccc3)C(C)(C)C2)ncn1 ZINC000761259416 621997338 /nfs/dbraw/zinc/99/73/38/621997338.db2.gz SPJYAXOJAQJYCM-UHFFFAOYSA-N 0 3 309.417 3.237 20 30 DGEDHN C[C@H](CC[NH2+][C@H](C)c1cccc(C#N)c1[O-])N1CCCCC1 ZINC000866338396 622097461 /nfs/dbraw/zinc/09/74/61/622097461.db2.gz RBXOQAOFWULWOX-HUUCEWRRSA-N 0 3 301.434 3.179 20 30 DGEDHN COc1ccc(Cl)cc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000763232361 622132081 /nfs/dbraw/zinc/13/20/81/622132081.db2.gz UOYHOVYTKCKZAH-INIZCTEOSA-N 0 3 316.788 3.043 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc(C4CCC4)no3)CC2)C1 ZINC000866582148 622142179 /nfs/dbraw/zinc/14/21/79/622142179.db2.gz MTPYDWCIZHGTMK-DOMZBBRYSA-N 0 3 300.406 3.209 20 30 DGEDHN C[C@H]1c2ccc(F)cc2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000763412398 622144408 /nfs/dbraw/zinc/14/44/08/622144408.db2.gz XUEBYAADUUUYJL-DJJJIMSYSA-N 0 3 310.372 3.350 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccsc1 ZINC000121608006 622166481 /nfs/dbraw/zinc/16/64/81/622166481.db2.gz RJRGPOAOZNQZSR-OCCSQVGLSA-N 0 3 306.431 3.257 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccsc1 ZINC000121671379 622171413 /nfs/dbraw/zinc/17/14/13/622171413.db2.gz DPMYVDZLJMPIMY-FZMZJTMJSA-N 0 3 304.415 3.009 20 30 DGEDHN COc1cc(C(=O)N2c3ccccc3[C@H](N)C2(C)C)ccc1C#N ZINC000867988303 622201036 /nfs/dbraw/zinc/20/10/36/622201036.db2.gz ZVRLDFZPXLHMKJ-KRWDZBQOSA-N 0 3 321.380 3.006 20 30 DGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1CCCCO1 ZINC000121978174 622207263 /nfs/dbraw/zinc/20/72/63/622207263.db2.gz QXOHCSHKQJRHCG-DOTOQJQBSA-N 0 3 322.364 3.056 20 30 DGEDHN C#CCN(Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000764683117 622213260 /nfs/dbraw/zinc/21/32/60/622213260.db2.gz PLSDFLHQQQGSDM-UHFFFAOYSA-N 0 3 319.330 3.489 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@H](CO)c2ccccc2C)cc1 ZINC000766399134 622326687 /nfs/dbraw/zinc/32/66/87/622326687.db2.gz IZJRJKALNJOASN-OXQOHEQNSA-N 0 3 309.409 3.391 20 30 DGEDHN C#CCCN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000767035322 622370686 /nfs/dbraw/zinc/37/06/86/622370686.db2.gz OECKSNHNMNLGEH-UHFFFAOYSA-N 0 3 302.418 3.037 20 30 DGEDHN Cc1cc(CNCc2ccc(N3CCCC3=O)cc2)ccc1C#N ZINC000767665540 622412853 /nfs/dbraw/zinc/41/28/53/622412853.db2.gz SMJMHVFYJFBJGQ-UHFFFAOYSA-N 0 3 319.408 3.283 20 30 DGEDHN C#CCn1ccc(CN(CC)[C@@H](C)CCc2cccc(F)c2)n1 ZINC000789761405 625563238 /nfs/dbraw/zinc/56/32/38/625563238.db2.gz CHIYGHVQPMXRRH-INIZCTEOSA-N 0 3 313.420 3.499 20 30 DGEDHN C#CCN(Cc1ccccc1OCCOC)C1CCCCC1 ZINC000769146284 622501979 /nfs/dbraw/zinc/50/19/79/622501979.db2.gz RDZSOISKLWAELE-UHFFFAOYSA-N 0 3 301.430 3.480 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000769535686 622538767 /nfs/dbraw/zinc/53/87/67/622538767.db2.gz QEMKIBHRPPTGLX-MRXNPFEDSA-N 0 3 323.868 3.195 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC(F)(F)F)c1 ZINC000771260426 622734739 /nfs/dbraw/zinc/73/47/39/622734739.db2.gz HPCOOLWNTOENTM-LBPRGKRZSA-N 0 3 312.291 3.375 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075509 622790881 /nfs/dbraw/zinc/79/08/81/622790881.db2.gz AZINFRLARNFZCS-RYUDHWBXSA-N 0 3 310.419 3.294 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075505 622791385 /nfs/dbraw/zinc/79/13/85/622791385.db2.gz AZINFRLARNFZCS-NEPJUHHUSA-N 0 3 310.419 3.294 20 30 DGEDHN CN(Cc1ccc(N(C)CCC#N)cc1)Cc1cccc(O)c1 ZINC000771934751 622820333 /nfs/dbraw/zinc/82/03/33/622820333.db2.gz DZWSCHWKDDOHMO-UHFFFAOYSA-N 0 3 309.413 3.374 20 30 DGEDHN COc1cc(CN2CCC[C@H](OC3CCC3)CC2)ccc1C#N ZINC000872258812 622869620 /nfs/dbraw/zinc/86/96/20/622869620.db2.gz BIEAIAZOTFMRRE-SFHVURJKSA-N 0 3 314.429 3.490 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872276640 622878490 /nfs/dbraw/zinc/87/84/90/622878490.db2.gz RVMYVGBEOZMKAL-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN N#CC(C(=O)Cc1ccco1)C(=O)Nc1cccc2ccccc21 ZINC000772646828 622922709 /nfs/dbraw/zinc/92/27/09/622922709.db2.gz ULWNPNSMZRQMOJ-INIZCTEOSA-N 0 3 318.332 3.323 20 30 DGEDHN C=CCC[C@@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000772781598 622939325 /nfs/dbraw/zinc/93/93/25/622939325.db2.gz IRVHLULPEMAYLS-DOMZBBRYSA-N 0 3 305.349 3.077 20 30 DGEDHN C=CCCC[C@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000773871687 623081692 /nfs/dbraw/zinc/08/16/92/623081692.db2.gz LCOGINAGFKKYDB-BBRMVZONSA-N 0 3 319.376 3.467 20 30 DGEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773977238 623094936 /nfs/dbraw/zinc/09/49/36/623094936.db2.gz VLQHDOGOZHYDPF-DZGCQCFKSA-N 0 3 300.402 3.084 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)cc1 ZINC000773978756 623095879 /nfs/dbraw/zinc/09/58/79/623095879.db2.gz VMBXCDROMDVJGS-DOMZBBRYSA-N 0 3 316.401 3.415 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCC[C@@H]2OC)c([O-])c1 ZINC000774542961 623159261 /nfs/dbraw/zinc/15/92/61/623159261.db2.gz SEXGAYBEBGFTGU-NYVWYTBHSA-N 0 3 304.434 3.472 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)COc1cccc(C)c1)c1ccccc1 ZINC000775400786 623268919 /nfs/dbraw/zinc/26/89/19/623268919.db2.gz MPAAPQDFTYLACM-QUCCMNQESA-N 0 3 309.409 3.089 20 30 DGEDHN CC(C)C[C@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000775460342 623276742 /nfs/dbraw/zinc/27/67/42/623276742.db2.gz IQDZQNFQKIQVKI-HNNXBMFYSA-N 0 3 307.825 3.047 20 30 DGEDHN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000775981782 623360271 /nfs/dbraw/zinc/36/02/71/623360271.db2.gz MPKWPXHAOPOAIS-KBXCAEBGSA-N 0 3 321.465 3.353 20 30 DGEDHN C#C[C@H]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000874864359 623378665 /nfs/dbraw/zinc/37/86/65/623378665.db2.gz AQECURWBJQXSII-RUCARUNLSA-N 0 3 310.441 3.204 20 30 DGEDHN CCn1nc(C)c(CN[C@@H](C)c2ccc(OCC#N)cc2)c1C ZINC000776158864 623385216 /nfs/dbraw/zinc/38/52/16/623385216.db2.gz ZJGKGVLPAKVYEW-ZDUSSCGKSA-N 0 3 312.417 3.273 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000776798225 623464144 /nfs/dbraw/zinc/46/41/44/623464144.db2.gz HYICCXXFUCKOJT-AWEZNQCLSA-N 0 3 319.408 3.236 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@H](C2CC2)C1 ZINC000778177074 623620338 /nfs/dbraw/zinc/62/03/38/623620338.db2.gz NRNWIDZHAKHSJK-KSSFIOAISA-N 0 3 319.832 3.399 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCC(C)(C)CO ZINC000778173814 623620406 /nfs/dbraw/zinc/62/04/06/623620406.db2.gz YMGJHBGLIWAOJE-UHFFFAOYSA-N 0 3 309.837 3.240 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000778178844 623621109 /nfs/dbraw/zinc/62/11/09/623621109.db2.gz NPGRHNZRCPPBBH-BTTYYORXSA-N 0 3 307.821 3.398 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccc(Cl)s1 ZINC000876562249 623646015 /nfs/dbraw/zinc/64/60/15/623646015.db2.gz UZNOOZIDAFPCHB-JTQLQIEISA-N 0 3 307.246 3.220 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000876589491 623653291 /nfs/dbraw/zinc/65/32/91/623653291.db2.gz NCTZMJDDGWWRBJ-GWCFXTLKSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(Cl)cccc1Cl ZINC000876592069 623654116 /nfs/dbraw/zinc/65/41/16/623654116.db2.gz NTGNHTCPHLLOMI-LLVKDONJSA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000876592549 623654667 /nfs/dbraw/zinc/65/46/67/623654667.db2.gz TWUYOUDXXVQYGH-ZIAGYGMSSA-N 0 3 313.228 3.473 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000876607196 623658216 /nfs/dbraw/zinc/65/82/16/623658216.db2.gz QVPYUJSAADFCHP-ZDUSSCGKSA-N 0 3 315.244 3.204 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000876607195 623658636 /nfs/dbraw/zinc/65/86/36/623658636.db2.gz QVPYUJSAADFCHP-CYBMUJFWSA-N 0 3 315.244 3.204 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccccc2C)CC1 ZINC000876647357 623669545 /nfs/dbraw/zinc/66/95/45/623669545.db2.gz JXTPCZJFEOMVFZ-MRXNPFEDSA-N 0 3 306.837 3.171 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccc(Cl)s1 ZINC000876663303 623673934 /nfs/dbraw/zinc/67/39/34/623673934.db2.gz RSLBBAXYHMQXBT-IUCAKERBSA-N 0 3 307.246 3.439 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000876664928 623674174 /nfs/dbraw/zinc/67/41/74/623674174.db2.gz JADQTEYHZVBWLK-LLVKDONJSA-N 0 3 306.715 3.200 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000876679824 623680565 /nfs/dbraw/zinc/68/05/65/623680565.db2.gz UDNIUYMCQHPZBC-JKSUJKDBSA-N 0 3 306.837 3.437 20 30 DGEDHN C=CCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779050706 623724916 /nfs/dbraw/zinc/72/49/16/623724916.db2.gz WKBAYJFFFZRJMA-LLVKDONJSA-N 0 3 314.223 3.316 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1C ZINC000876889597 623736926 /nfs/dbraw/zinc/73/69/26/623736926.db2.gz OQJHVPSITUJNBA-GFCCVEGCSA-N 0 3 320.742 3.100 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000779160994 623737337 /nfs/dbraw/zinc/73/73/37/623737337.db2.gz FBVRTBLGAUDDBF-LSDHHAIUSA-N 0 3 319.832 3.210 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC000876949141 623752070 /nfs/dbraw/zinc/75/20/70/623752070.db2.gz SOIOSKVICDPUPD-ZBFHGGJFSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000877030642 623769853 /nfs/dbraw/zinc/76/98/53/623769853.db2.gz JLDYTXQKKBWZNB-LSDHHAIUSA-N 0 3 306.837 3.251 20 30 DGEDHN C[C@](CO)(NCc1cc(C#N)cnc1Cl)C1CCCCC1 ZINC000877052829 623777168 /nfs/dbraw/zinc/77/71/68/623777168.db2.gz XETJANAAJGGJJC-MRXNPFEDSA-N 0 3 307.825 3.028 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000779706485 623788389 /nfs/dbraw/zinc/78/83/89/623788389.db2.gz FOROFDCEGZEYRA-KLOKQTISSA-N 0 3 304.434 3.472 20 30 DGEDHN CC/C(C)=C(/C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000779845223 623820270 /nfs/dbraw/zinc/82/02/70/623820270.db2.gz NNBBGXNWJDVUMF-NXVVXOECSA-N 0 3 313.445 3.195 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@]1(C)Cc1cccc(C)c1 ZINC000877204923 623826997 /nfs/dbraw/zinc/82/69/97/623826997.db2.gz SJMYQJYRUMSYBR-SJLPKXTDSA-N 0 3 320.864 3.389 20 30 DGEDHN N#Cc1ccccc1N1CCN(C[C@H]2CCc3ccccc32)CC1 ZINC000780292010 623906796 /nfs/dbraw/zinc/90/67/96/623906796.db2.gz MEGUJFPJENWRLX-LJQANCHMSA-N 0 3 317.436 3.410 20 30 DGEDHN C=CCCCNCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877489984 623909171 /nfs/dbraw/zinc/90/91/71/623909171.db2.gz RRAMTJSCLWCIJS-UHFFFAOYSA-N 0 3 321.421 3.065 20 30 DGEDHN Cc1cccc(CCCNCc2cc(C#N)cnc2Cl)n1 ZINC000877514150 623918883 /nfs/dbraw/zinc/91/88/83/623918883.db2.gz HFRSWPDRIJKQOZ-UHFFFAOYSA-N 0 3 300.793 3.033 20 30 DGEDHN C#C[C@H](N[C@@H](C)C[C@H]1CCCC(=O)N1)c1ccc(Cl)cc1 ZINC000877541219 623934206 /nfs/dbraw/zinc/93/42/06/623934206.db2.gz MCEFQQUAFFJWIL-MAZHCROVSA-N 0 3 304.821 3.051 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(OC2CCC2)CC1 ZINC000877593410 623955483 /nfs/dbraw/zinc/95/54/83/623955483.db2.gz UXHNOMDCYHYKGL-UHFFFAOYSA-N 0 3 313.445 3.158 20 30 DGEDHN CC1(C)CCC[C@@](CO)(NCc2cc(C#N)cnc2Cl)C1 ZINC000877653876 623978526 /nfs/dbraw/zinc/97/85/26/623978526.db2.gz IAIYFVLJYCOFDD-MRXNPFEDSA-N 0 3 307.825 3.028 20 30 DGEDHN CC1(C)CCC[C@](CO)(NCc2cc(C#N)cnc2Cl)C1 ZINC000877653874 623978936 /nfs/dbraw/zinc/97/89/36/623978936.db2.gz IAIYFVLJYCOFDD-INIZCTEOSA-N 0 3 307.825 3.028 20 30 DGEDHN Cc1ccc(CCCN2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000877744961 624017240 /nfs/dbraw/zinc/01/72/40/624017240.db2.gz CLIZMUNOAUHYJS-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccnc(Cl)c1F)C2 ZINC000877767325 624027410 /nfs/dbraw/zinc/02/74/10/624027410.db2.gz ZNSYYSNEMWDMKV-AWEZNQCLSA-N 0 3 301.752 3.003 20 30 DGEDHN CC[C@H](C#N)OC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000781186962 624037016 /nfs/dbraw/zinc/03/70/16/624037016.db2.gz LTSGCDOHMJGLQA-CVEARBPZSA-N 0 3 314.385 3.008 20 30 DGEDHN N#Cc1ccc(OCCCN2CCC[C@H](OC(F)F)C2)cc1 ZINC000781351732 624058560 /nfs/dbraw/zinc/05/85/60/624058560.db2.gz BTOAERISKZLHJW-HNNXBMFYSA-N 0 3 310.344 3.031 20 30 DGEDHN C#CCCCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000877953157 624108179 /nfs/dbraw/zinc/10/81/79/624108179.db2.gz DIZPKULWOKSRCK-UHFFFAOYSA-N 0 3 316.420 3.167 20 30 DGEDHN N#CCC[C@H](NC[C@@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000878375285 624260737 /nfs/dbraw/zinc/26/07/37/624260737.db2.gz CVFIIKHZWNSUGP-ROUUACIJSA-N 0 3 316.445 3.067 20 30 DGEDHN C[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(C#N)cc1F ZINC000878407094 624269596 /nfs/dbraw/zinc/26/95/96/624269596.db2.gz KMNNTWMEYVJHMW-HIFRSBDPSA-N 0 3 318.392 3.076 20 30 DGEDHN CC(=O)[C@@](C#N)(CCN1CCSCC[C@@H]1C)c1ccccc1 ZINC000878504194 624292586 /nfs/dbraw/zinc/29/25/86/624292586.db2.gz DSNXPGACUOVKRP-YJBOKZPZSA-N 0 3 316.470 3.254 20 30 DGEDHN COc1ccc(CNCc2cccc3cnccc32)cc1C#N ZINC000782964972 624296610 /nfs/dbraw/zinc/29/66/10/624296610.db2.gz UYYGAIFXSSAIPF-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN C#CCCCCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000878642266 624328387 /nfs/dbraw/zinc/32/83/87/624328387.db2.gz YOQBGXDVYCUCGW-UHFFFAOYSA-N 0 3 302.393 3.083 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](c1cccs1)C1CCCC1 ZINC000783531098 624361938 /nfs/dbraw/zinc/36/19/38/624361938.db2.gz GHJNLHKEIBGLON-HNNXBMFYSA-N 0 3 313.488 3.170 20 30 DGEDHN N#Cc1ccc(C2CCN(C[C@@H]3CC3(Cl)Cl)CC2)nc1 ZINC000879026280 624411378 /nfs/dbraw/zinc/41/13/78/624411378.db2.gz FXCBSTMNBAHNQW-ZDUSSCGKSA-N 0 3 310.228 3.326 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)c(F)c1 ZINC000879240247 624458534 /nfs/dbraw/zinc/45/85/34/624458534.db2.gz LFARHZIWKZWLQQ-RTBURBONSA-N 0 3 310.372 3.395 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)cc1F ZINC000879246799 624462275 /nfs/dbraw/zinc/46/22/75/624462275.db2.gz XWMAMOCBHOBICV-OALUTQOASA-N 0 3 310.372 3.395 20 30 DGEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3Cc2cccc(C#N)c2)no1 ZINC000879680442 624638280 /nfs/dbraw/zinc/63/82/80/624638280.db2.gz ONUJRDBJHVPDNJ-ALOPSCKCSA-N 0 3 308.385 3.160 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785445612 624667382 /nfs/dbraw/zinc/66/73/82/624667382.db2.gz SAAVPNOPSIHWHQ-UONOGXRCSA-N 0 3 317.433 3.464 20 30 DGEDHN CCOc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000785617099 624701908 /nfs/dbraw/zinc/70/19/08/624701908.db2.gz JUORQTLFIPOBHM-GOSISDBHSA-N 0 3 308.381 3.440 20 30 DGEDHN C=CC[C@H](C)N1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880217125 624848305 /nfs/dbraw/zinc/84/83/05/624848305.db2.gz OLLOWXQJDNLYAQ-HDMKZQKVSA-N 0 3 324.465 3.051 20 30 DGEDHN N#CC(C(=O)CCC1CCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786531803 624911458 /nfs/dbraw/zinc/91/14/58/624911458.db2.gz TZFIEQPAAXCLQS-OAHLLOKOSA-N 0 3 318.804 3.245 20 30 DGEDHN C=C(CC)CN1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880324833 624919951 /nfs/dbraw/zinc/91/99/51/624919951.db2.gz NQUHKQVNKVCPAB-ZDUSSCGKSA-N 0 3 308.447 3.384 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)C1CC(F)(F)C1)c1ccccc1 ZINC000787046140 624974121 /nfs/dbraw/zinc/97/41/21/624974121.db2.gz NQZQHYXDYVRAAA-KBPBESRZSA-N 0 3 320.339 3.008 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](C)c1ccco1)c1ccccc1 ZINC000787048078 624974636 /nfs/dbraw/zinc/97/46/36/624974636.db2.gz ZIRJHSNIRZCWEB-BMFZPTHFSA-N 0 3 324.380 3.359 20 30 DGEDHN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787072291 624975578 /nfs/dbraw/zinc/97/55/78/624975578.db2.gz HRFOJKDPOAFYSC-DJIMGWMZSA-N 0 3 312.413 3.180 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCC1 ZINC000787075124 624976533 /nfs/dbraw/zinc/97/65/33/624976533.db2.gz VPEXPLUOJKOLTI-RHSMWYFYSA-N 0 3 312.413 3.180 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ncsc2C2CC2)CC1 ZINC000881037968 625216612 /nfs/dbraw/zinc/21/66/12/625216612.db2.gz KGIHDSYHVGPQJF-UHFFFAOYSA-N 0 3 320.462 3.183 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000788560960 625216902 /nfs/dbraw/zinc/21/69/02/625216902.db2.gz CWCPTRUVSSEOKO-NEPJUHHUSA-N 0 3 310.357 3.460 20 30 DGEDHN C#CCn1ccc(CN(CC)c2ccnc3cc(OC)ccc32)n1 ZINC000788565767 625217961 /nfs/dbraw/zinc/21/79/61/625217961.db2.gz NLFGXAVSLBNADQ-UHFFFAOYSA-N 0 3 320.396 3.100 20 30 DGEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788794817 625268341 /nfs/dbraw/zinc/26/83/41/625268341.db2.gz JFINZXMHPUJNAK-APPDUMDISA-N 0 3 322.368 3.387 20 30 DGEDHN CCN(Cc1ccc(C#N)s1)C[C@H](O)c1ccc(C)cc1 ZINC000130530615 625867523 /nfs/dbraw/zinc/86/75/23/625867523.db2.gz WBADGXXXOHPNEW-KRWDZBQOSA-N 0 3 300.427 3.484 20 30 DGEDHN C#CC[C@H](CO)NCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000883125412 625934261 /nfs/dbraw/zinc/93/42/61/625934261.db2.gz IKVJHELVAGGFEL-GOSISDBHSA-N 0 3 323.440 3.139 20 30 DGEDHN C#CC[C@@H](CO)NCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000883125413 625934553 /nfs/dbraw/zinc/93/45/53/625934553.db2.gz IKVJHELVAGGFEL-SFHVURJKSA-N 0 3 323.440 3.139 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000883132622 625938184 /nfs/dbraw/zinc/93/81/84/625938184.db2.gz YFJJVQYDHYMJQE-FQEVSTJZSA-N 0 3 307.393 3.125 20 30 DGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC(F)F)cc1 ZINC000796793810 626083763 /nfs/dbraw/zinc/08/37/63/626083763.db2.gz VAZRFVWEUYWMSU-MFKMUULPSA-N 0 3 324.327 3.087 20 30 DGEDHN CC(C)[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)N(C)C ZINC000798863698 626250908 /nfs/dbraw/zinc/25/09/08/626250908.db2.gz AOQYXIDGEXRWPD-DGCLKSJQSA-N 0 3 307.463 3.203 20 30 DGEDHN CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799112013 626273067 /nfs/dbraw/zinc/27/30/67/626273067.db2.gz YHFCVWWIRQRTEC-UHFFFAOYSA-N 0 3 324.262 3.430 20 30 DGEDHN C#CCOc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000799343116 626293148 /nfs/dbraw/zinc/29/31/48/626293148.db2.gz AMQNLPZYCRDKDZ-NRFANRHFSA-N 0 3 321.420 3.012 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1C#N ZINC000799362874 626295703 /nfs/dbraw/zinc/29/57/03/626295703.db2.gz QCNLJQULFCXWDO-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN CC(C)(C)CCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000103638266 626295946 /nfs/dbraw/zinc/29/59/46/626295946.db2.gz VNLIIHAEXNFQJA-HNNXBMFYSA-N 0 3 300.402 3.228 20 30 DGEDHN Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C#N ZINC000799367282 626296508 /nfs/dbraw/zinc/29/65/08/626296508.db2.gz GMLXWCYYXFPTGS-KXBFYZLASA-N 0 3 321.424 3.288 20 30 DGEDHN O=C1C=C(NNc2ccnc3cc(Cl)ccc32)C2CCCN12 ZINC000799465370 626303104 /nfs/dbraw/zinc/30/31/04/626303104.db2.gz GQJXPILIABPKHP-OAHLLOKOSA-N 0 3 314.776 3.051 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C#N ZINC000799601224 626312304 /nfs/dbraw/zinc/31/23/04/626312304.db2.gz WPBMEDKXGPLQOG-AWEZNQCLSA-N 0 3 300.321 3.233 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC2(CCO2)CC1 ZINC000800537607 626366919 /nfs/dbraw/zinc/36/69/19/626366919.db2.gz BIHRZSGBCPJPDK-UHFFFAOYSA-N 0 3 305.805 3.107 20 30 DGEDHN C[C@H](C#N)OCCN[C@H](COCc1ccccc1)c1ccccc1 ZINC000801938285 626426943 /nfs/dbraw/zinc/42/69/43/626426943.db2.gz DAANMWIQMROISP-YLJYHZDGSA-N 0 3 324.424 3.463 20 30 DGEDHN CCOc1cccc2cc([C@H](C)NCCO[C@H](C)C#N)oc21 ZINC000801939612 626427124 /nfs/dbraw/zinc/42/71/24/626427124.db2.gz TYMZZPVDYCBNRG-OLZOCXBDSA-N 0 3 302.374 3.411 20 30 DGEDHN C[C@H](C#N)OCCN(CCc1ccccc1)Cc1cccnc1 ZINC000801951935 626427634 /nfs/dbraw/zinc/42/76/34/626427634.db2.gz ZTAHDEZKPZGSBM-QGZVFWFLSA-N 0 3 309.413 3.055 20 30 DGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000802797477 626573510 /nfs/dbraw/zinc/57/35/10/626573510.db2.gz WAZVHSJFUXVBQV-WCQYABFASA-N 0 3 322.355 3.116 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883392919 626672011 /nfs/dbraw/zinc/67/20/11/626672011.db2.gz RFJJSKFWNHVNRJ-RYUDHWBXSA-N 0 3 310.419 3.294 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883392917 626672017 /nfs/dbraw/zinc/67/20/17/626672017.db2.gz RFJJSKFWNHVNRJ-NEPJUHHUSA-N 0 3 310.419 3.294 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000883400883 626673734 /nfs/dbraw/zinc/67/37/34/626673734.db2.gz XOJOCQJPJLPCQA-ZDUSSCGKSA-N 0 3 304.415 3.243 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)C(C)C ZINC000807440491 626756777 /nfs/dbraw/zinc/75/67/77/626756777.db2.gz RECNYVZCXLXFMP-LSDHHAIUSA-N 0 3 307.438 3.315 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000807703865 626765174 /nfs/dbraw/zinc/76/51/74/626765174.db2.gz CVSZGCCHHNIZGK-QGZVFWFLSA-N 0 3 304.409 3.128 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807740048 626767221 /nfs/dbraw/zinc/76/72/21/626767221.db2.gz RYUXZKVYRLHSKV-HKUYNNGSSA-N 0 3 312.457 3.349 20 30 DGEDHN C#Cc1ccc(CNC2(C(=O)N(CC)CC)CCCCC2)cc1 ZINC000809602837 626924540 /nfs/dbraw/zinc/92/45/40/626924540.db2.gz AYAHKSKCOKSXMZ-UHFFFAOYSA-N 0 3 312.457 3.329 20 30 DGEDHN C#Cc1ccc(CNCc2cnc(C)n2-c2ccccc2)cc1 ZINC000809622007 626927801 /nfs/dbraw/zinc/92/78/01/626927801.db2.gz CSXDEQMDNNEKMX-UHFFFAOYSA-N 0 3 301.393 3.452 20 30 DGEDHN C#C[C@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C ZINC000809684812 626936161 /nfs/dbraw/zinc/93/61/61/626936161.db2.gz OSONIWCHZMMISK-AWEZNQCLSA-N 0 3 303.406 3.176 20 30 DGEDHN CC(C)(CO)[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000809993247 626966600 /nfs/dbraw/zinc/96/66/00/626966600.db2.gz UUSGRNWLVRTQIP-LJQANCHMSA-N 0 3 324.424 3.438 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCCSC1 ZINC000810529557 627012236 /nfs/dbraw/zinc/01/22/36/627012236.db2.gz JFDLECQTQFAYNL-GXFFZTMASA-N 0 3 322.817 3.131 20 30 DGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886001544 627079865 /nfs/dbraw/zinc/07/98/65/627079865.db2.gz CFYLYCXTSOJMLW-JSGCOSHPSA-N 0 3 307.463 3.198 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCSC[C@@H]2c2ccccc2)CCC1 ZINC000886012348 627083627 /nfs/dbraw/zinc/08/36/27/627083627.db2.gz FNMINLFJTWEWPH-IAGOWNOFSA-N 0 3 316.470 3.221 20 30 DGEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886018841 627085780 /nfs/dbraw/zinc/08/57/80/627085780.db2.gz IGMMNEFMGHPGJL-KGLIPLIRSA-N 0 3 321.490 3.452 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN[C@]34C[C@H]3COC4)c2)c1 ZINC000886201361 627120396 /nfs/dbraw/zinc/12/03/96/627120396.db2.gz CHEQPMLJIDPTOI-ICSRJNTNSA-N 0 3 320.392 3.016 20 30 DGEDHN N#CC1(C[C@H](O)CNC2(c3ccccc3Cl)CC2)CCC1 ZINC000886264469 627127670 /nfs/dbraw/zinc/12/76/70/627127670.db2.gz ZMNVFSBZFRSQOC-ZDUSSCGKSA-N 0 3 304.821 3.364 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1 ZINC000886361325 627143178 /nfs/dbraw/zinc/14/31/78/627143178.db2.gz BNCKBNMIBSZDBA-CVEARBPZSA-N 0 3 324.424 3.297 20 30 DGEDHN C#CCN(C(=O)c1cc2ccccc2s1)C1CCN(C)CC1 ZINC000886587196 627168131 /nfs/dbraw/zinc/16/81/31/627168131.db2.gz LGVGFPGXXYXKSS-UHFFFAOYSA-N 0 3 312.438 3.071 20 30 DGEDHN C(=NNC[C@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000811657804 627300558 /nfs/dbraw/zinc/30/05/58/627300558.db2.gz ALVYKJIQYXBYHP-MRXNPFEDSA-N 0 3 303.475 3.354 20 30 DGEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214105 627468243 /nfs/dbraw/zinc/46/82/43/627468243.db2.gz SQPIVZFALBADLE-PXWWUCIGSA-N 0 3 314.307 3.338 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215374 627468307 /nfs/dbraw/zinc/46/83/07/627468307.db2.gz XPCOIOGDKVZFBP-JQWIXIFHSA-N 0 3 312.291 3.258 20 30 DGEDHN O=[N+]([O-])c1cccc(NNC2=C[C@@H](C(F)(F)F)OCC2)c1 ZINC000814694304 627583983 /nfs/dbraw/zinc/58/39/83/627583983.db2.gz DSTLHXQKMHSRKS-NSHDSACASA-N 0 3 303.240 3.104 20 30 DGEDHN COc1cc(CN[C@H](C)CC(C)(C)C#N)cc(OC)c1OC ZINC000924574474 627650239 /nfs/dbraw/zinc/65/02/39/627650239.db2.gz NURLKNZAJYHLEU-GFCCVEGCSA-N 0 3 306.406 3.130 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000924698774 627669531 /nfs/dbraw/zinc/66/95/31/627669531.db2.gz CADZTJHQGKKEMI-NVXWUHKLSA-N 0 3 313.445 3.268 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC1(C#N)CC1 ZINC000815907458 627711403 /nfs/dbraw/zinc/71/14/03/627711403.db2.gz AWOLIITVDXLOHX-OAHLLOKOSA-N 0 3 323.396 3.153 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000816205297 627752147 /nfs/dbraw/zinc/75/21/47/627752147.db2.gz RFVQXZQPEBIAFW-KRWDZBQOSA-N 0 3 322.399 3.369 20 30 DGEDHN C=CCCOCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816469087 627793386 /nfs/dbraw/zinc/79/33/86/627793386.db2.gz SDHAVUASVVJQQK-WMZOPIPTSA-N 0 3 317.429 3.175 20 30 DGEDHN CC[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925854043 627806639 /nfs/dbraw/zinc/80/66/39/627806639.db2.gz KWSMGFUDWCPLOC-LSDHHAIUSA-N 0 3 311.351 3.283 20 30 DGEDHN C#CCN1CCC[C@H](N[C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000926863626 627965956 /nfs/dbraw/zinc/96/59/56/627965956.db2.gz AOZDEOZMSQPKIE-WBVHZDCISA-N 0 3 309.413 3.090 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC(C)(C)C#N)C12CCCC2 ZINC000926874332 627967990 /nfs/dbraw/zinc/96/79/90/627967990.db2.gz OXMOUEOCMBOCNK-AWEZNQCLSA-N 0 3 321.465 3.448 20 30 DGEDHN CC(=O)N1CC[C@@H](NCc2ccc(C)c(C#N)c2)c2ccccc21 ZINC000926960662 627989826 /nfs/dbraw/zinc/98/98/26/627989826.db2.gz GCDSAXYBOGHGJD-LJQANCHMSA-N 0 3 319.408 3.454 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000818076963 627992471 /nfs/dbraw/zinc/99/24/71/627992471.db2.gz OPKWODAGKCJHOF-QZTJIDSGSA-N 0 3 313.445 3.445 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(Br)cs1 ZINC000818346638 628017174 /nfs/dbraw/zinc/01/71/74/628017174.db2.gz GPBJSILOHGZYFX-UTLUCORTSA-N 0 3 317.252 3.147 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1c3ccccc3CC[C@H]1O)CC2 ZINC000927141037 628025139 /nfs/dbraw/zinc/02/51/39/628025139.db2.gz VZYZJUSMWYFJPS-AQNXPRMDSA-N 0 3 304.393 3.184 20 30 DGEDHN COc1ccc(C)cc1[C@H](C)NCCNc1ccc(C#N)cn1 ZINC000927164185 628030116 /nfs/dbraw/zinc/03/01/16/628030116.db2.gz IRCMOZLBPYBVCH-AWEZNQCLSA-N 0 3 310.401 3.033 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000818609072 628042302 /nfs/dbraw/zinc/04/23/02/628042302.db2.gz JTRCYYNAZDOGNB-UHFFFAOYSA-N 0 3 306.837 3.148 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1sc2cc(F)ccc2c1C ZINC000818612228 628042896 /nfs/dbraw/zinc/04/28/96/628042896.db2.gz OQYCUWRLERKJOG-UHFFFAOYSA-N 0 3 318.417 3.034 20 30 DGEDHN C=CC[N@@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819742825 628184727 /nfs/dbraw/zinc/18/47/27/628184727.db2.gz AKLDFRQOSKPAET-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CC[N@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819742825 628184730 /nfs/dbraw/zinc/18/47/30/628184730.db2.gz AKLDFRQOSKPAET-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CC[N@@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819742825 628184732 /nfs/dbraw/zinc/18/47/32/628184732.db2.gz AKLDFRQOSKPAET-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CC[N@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819742825 628184733 /nfs/dbraw/zinc/18/47/33/628184733.db2.gz AKLDFRQOSKPAET-UHFFFAOYSA-N 0 3 324.432 3.185 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823894661 628608113 /nfs/dbraw/zinc/60/81/13/628608113.db2.gz WCEWWOVLWNGELG-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823894661 628608114 /nfs/dbraw/zinc/60/81/14/628608114.db2.gz WCEWWOVLWNGELG-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCC(F)(F)C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000823905669 628608826 /nfs/dbraw/zinc/60/88/26/628608826.db2.gz KMQWOLNNFNISCD-AWEZNQCLSA-N 0 3 308.372 3.107 20 30 DGEDHN C[C@@H]1C[C@H](CNCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000824153480 628631918 /nfs/dbraw/zinc/63/19/18/628631918.db2.gz MPDVQVPQXODPGO-ZIAGYGMSSA-N 0 3 309.454 3.161 20 30 DGEDHN COC(=O)C1(C#N)CCN(C[C@H](c2ccccc2)C(C)C)CC1 ZINC000824872022 628701720 /nfs/dbraw/zinc/70/17/20/628701720.db2.gz NJCCWUXPMUKJQT-KRWDZBQOSA-N 0 3 314.429 3.205 20 30 DGEDHN C#Cc1cccc(CNCc2cccc(OCCCOC)c2)c1 ZINC000825225971 628739343 /nfs/dbraw/zinc/73/93/43/628739343.db2.gz CIWNTYGIPRXDDY-UHFFFAOYSA-N 0 3 309.409 3.373 20 30 DGEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCCC2)s1 ZINC000826667340 628870147 /nfs/dbraw/zinc/87/01/47/628870147.db2.gz MACNBJRYVPCDAG-AWEZNQCLSA-N 0 3 317.458 3.147 20 30 DGEDHN C#C[C@H](NCc1c(OC)ccc2ccccc21)C1CCOCC1 ZINC000827571190 628971921 /nfs/dbraw/zinc/97/19/21/628971921.db2.gz WBIBVJIVZMWUSP-IBGZPJMESA-N 0 3 309.409 3.366 20 30 DGEDHN C[C@@H]1C[C@@H](CN2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000827650047 628980054 /nfs/dbraw/zinc/98/00/54/628980054.db2.gz MPTGRDLUHTWVOR-VKJFTORMSA-N 0 3 321.465 3.258 20 30 DGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1CCCCC#N ZINC000830190250 629236389 /nfs/dbraw/zinc/23/63/89/629236389.db2.gz VQUPVBCPYAWTBZ-QLFBSQMISA-N 0 3 309.454 3.398 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)nc1C(F)(F)F ZINC000831683431 629404198 /nfs/dbraw/zinc/40/41/98/629404198.db2.gz UATAMAVZZCSWLL-ZJUUUORDSA-N 0 3 306.715 3.187 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000101583317 629742809 /nfs/dbraw/zinc/74/28/09/629742809.db2.gz KVCQQUNEMHIJCB-JKSUJKDBSA-N 0 3 322.408 3.267 20 30 DGEDHN CC(C)N1CC(N=Nc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000834984359 629818055 /nfs/dbraw/zinc/81/80/55/629818055.db2.gz UWPVCTWUOZUNAX-SNVBAGLBSA-N 0 3 300.328 3.228 20 30 DGEDHN CCOC(=O)C(C)(C)ON=C/C=C\c1ccc(N(C)C)cc1 ZINC000835007105 629821284 /nfs/dbraw/zinc/82/12/84/629821284.db2.gz LVLGIVHPXUIQDC-LVHHPNBASA-N 0 3 304.390 3.110 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1ccc(C)cn1 ZINC000835064516 629842769 /nfs/dbraw/zinc/84/27/69/629842769.db2.gz FNAOKXUVPUXXAX-UHFFFAOYSA-N 0 3 314.816 3.388 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3C(F)(F)F)nc21 ZINC000835174652 629869914 /nfs/dbraw/zinc/86/99/14/629869914.db2.gz VSSHYSGJCPBXMJ-OPRDCNLKSA-N 0 3 307.275 3.246 20 30 DGEDHN C=C[C@@](C)(CCOC)COC(=O)c1cccc(CN(C)C)c1 ZINC000835337547 629909385 /nfs/dbraw/zinc/90/93/85/629909385.db2.gz POYFDHMNQFXTNT-SFHVURJKSA-N 0 3 305.418 3.134 20 30 DGEDHN CN(CCOC(=O)c1ccccc1CC#N)Cc1ccccc1 ZINC000837403718 630253135 /nfs/dbraw/zinc/25/31/35/630253135.db2.gz UXSNUQOBHADEQL-UHFFFAOYSA-N 0 3 308.381 3.041 20 30 DGEDHN C[C@@H]1CCN(C(=O)C#CC(C)(C)C)CCN1Cc1ccccc1 ZINC000837445986 630258772 /nfs/dbraw/zinc/25/87/72/630258772.db2.gz JFLPUDWKWYZFSK-QGZVFWFLSA-N 0 3 312.457 3.159 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000840956681 630384935 /nfs/dbraw/zinc/38/49/35/630384935.db2.gz BSNOMHVUYDCTOM-MOXGXCLJSA-N 0 3 322.408 3.285 20 30 DGEDHN c1ccc([C@H]2CC(=NOC[C@@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841636477 630450556 /nfs/dbraw/zinc/45/05/56/630450556.db2.gz BUHWKCWGNGAGET-DNVCBOLYSA-N 0 3 314.429 3.395 20 30 DGEDHN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842288909 630511430 /nfs/dbraw/zinc/51/14/30/630511430.db2.gz MLACNWAGNWJVGL-ZIAGYGMSSA-N 0 3 322.792 3.048 20 30 DGEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000842366265 630524283 /nfs/dbraw/zinc/52/42/83/630524283.db2.gz GFJAQDMTENSVPI-YPMHNXCESA-N 0 3 314.307 3.338 20 30 DGEDHN C[C@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942277 630597065 /nfs/dbraw/zinc/59/70/65/630597065.db2.gz IFUKZDRZRYXTIA-ONGXEEELSA-N 0 3 320.414 3.175 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C1(N(C)C)CCC1 ZINC000843757126 630698363 /nfs/dbraw/zinc/69/83/63/630698363.db2.gz YAJWFQQODFTMHN-UHFFFAOYSA-N 0 3 312.866 3.400 20 30 DGEDHN C#CC[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000843999200 630706174 /nfs/dbraw/zinc/70/61/74/630706174.db2.gz BIEXELVVALTPLU-KRWDZBQOSA-N 0 3 310.441 3.158 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1OCCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369236 630721664 /nfs/dbraw/zinc/72/16/64/630721664.db2.gz XAXMBVFVHMRRTD-LZQZEXGQSA-N 0 3 316.445 3.119 20 30 DGEDHN Cc1cccc(C)c1OCCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368031 630721902 /nfs/dbraw/zinc/72/19/02/630721902.db2.gz QOHDPLWQKNENCQ-LJQANCHMSA-N 0 3 324.424 3.219 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)CCCCC3)CC1 ZINC000844894328 630968001 /nfs/dbraw/zinc/96/80/01/630968001.db2.gz JHMJBCQYIYUZDM-UHFFFAOYSA-N 0 3 310.441 3.239 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(SC)c2)CC1 ZINC000845032818 631047462 /nfs/dbraw/zinc/04/74/62/631047462.db2.gz IMXIZIHOJSIHGK-UHFFFAOYSA-N 0 3 302.443 3.001 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000845447416 631175910 /nfs/dbraw/zinc/17/59/10/631175910.db2.gz CHRIJUFVRBGOOX-NHYWBVRUSA-N 0 3 318.804 3.211 20 30 DGEDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000845729590 631191768 /nfs/dbraw/zinc/19/17/68/631191768.db2.gz BMVQITBYZBGNNG-INIZCTEOSA-N 0 3 312.413 3.271 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000845732196 631192414 /nfs/dbraw/zinc/19/24/14/631192414.db2.gz YSZMJZNLJRHBSQ-IXDOHACOSA-N 0 3 312.413 3.078 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)C[C@H](CC#N)c1ccccc1 ZINC000845735525 631192779 /nfs/dbraw/zinc/19/27/79/631192779.db2.gz JYRRDEHBQBQALI-DLBZAZTESA-N 0 3 314.429 3.490 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CNCC2(C#N)CCCC2)C1 ZINC000846011005 631205830 /nfs/dbraw/zinc/20/58/30/631205830.db2.gz QFBMMVYAXOFQLI-KRWDZBQOSA-N 0 3 321.465 3.307 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](CC(C)C)c1ccc(F)cc1 ZINC000846165586 631213083 /nfs/dbraw/zinc/21/30/83/631213083.db2.gz PCMUVURXNYSSGR-INIZCTEOSA-N 0 3 313.438 3.103 20 30 DGEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000847022699 631384005 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UOQPAZPQEPOMRP-CQSZACIVSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(Cl)s1 ZINC001032722340 660434084 /nfs/dbraw/zinc/43/40/84/660434084.db2.gz SNTHEPHFTYTUTA-AGIUHOORSA-N 0 3 324.877 3.366 20 30 DGEDHN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)c1ccccc1 ZINC001032797069 660449727 /nfs/dbraw/zinc/44/97/27/660449727.db2.gz HYOMXEHALJQSER-FHWLQOOXSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)c1ccccc1 ZINC001032802681 660451025 /nfs/dbraw/zinc/45/10/25/660451025.db2.gz JQFYWXXYRIZXKD-ROUUACIJSA-N 0 3 312.457 3.216 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCC2 ZINC001032813229 660454366 /nfs/dbraw/zinc/45/43/66/660454366.db2.gz YUCHCNVXNBQMRF-IRXDYDNUSA-N 0 3 310.441 3.040 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2ccc(C)c3ccccc23)CC1 ZINC001001887195 660459725 /nfs/dbraw/zinc/45/97/25/660459725.db2.gz KXWVDKWHHNMHQX-UHFFFAOYSA-N 0 3 320.436 3.223 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC001002139574 660465810 /nfs/dbraw/zinc/46/58/10/660465810.db2.gz YZIDOZQITJDHPU-UHFFFAOYSA-N 0 3 318.486 3.121 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001016308520 660472675 /nfs/dbraw/zinc/47/26/75/660472675.db2.gz POXRSALRAHNCFD-CZUORRHYSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001033072098 660536440 /nfs/dbraw/zinc/53/64/40/660536440.db2.gz JZPXELAQARNCMF-BZUAXINKSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2scc(C)c2Cl)C1 ZINC001033108433 660546212 /nfs/dbraw/zinc/54/62/12/660546212.db2.gz ZZJJHNUKRTZBDG-GFCCVEGCSA-N 0 3 312.866 3.432 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2nsc3ccccc32)C1 ZINC001033102606 660541755 /nfs/dbraw/zinc/54/17/55/660541755.db2.gz IGTTWVXGKYYSNA-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C=C(C)C)CC1 ZINC001004323775 660543321 /nfs/dbraw/zinc/54/33/21/660543321.db2.gz XJNHHIIYYNSVTF-MRXNPFEDSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)oc3ccccc32)C1 ZINC001033112372 660547790 /nfs/dbraw/zinc/54/77/90/660547790.db2.gz QUBXTHQNMRJHMS-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC001004394034 660548099 /nfs/dbraw/zinc/54/80/99/660548099.db2.gz FOGCCCSAOCBKGO-LXXRFIIISA-N 0 3 322.880 3.408 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(CCCC)cc2)C1 ZINC001033236886 660595800 /nfs/dbraw/zinc/59/58/00/660595800.db2.gz KNJKKKBHMZZQSI-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001033245096 660599231 /nfs/dbraw/zinc/59/92/31/660599231.db2.gz CVJHZFKZUHBBEC-OAHLLOKOSA-N 0 3 311.429 3.199 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2occc2-c2ccccc2)C1 ZINC001033253861 660600206 /nfs/dbraw/zinc/60/02/06/660600206.db2.gz OQCXXDITGIEULR-KRWDZBQOSA-N 0 3 322.408 3.116 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc3ccccc3c2C)C1 ZINC001033275461 660602674 /nfs/dbraw/zinc/60/26/74/660602674.db2.gz NCBUHJFJJWJWOQ-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3ncccc3s2)C1 ZINC001033322090 660608591 /nfs/dbraw/zinc/60/85/91/660608591.db2.gz QBYJFQLDYAGSED-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001033411278 660619038 /nfs/dbraw/zinc/61/90/38/660619038.db2.gz WOQGQEKNQHBPJL-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)cc2Cl)C1 ZINC001033443327 660621899 /nfs/dbraw/zinc/62/18/99/660621899.db2.gz NKFZXJUOPJKAIS-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033464962 660625347 /nfs/dbraw/zinc/62/53/47/660625347.db2.gz DMPZGOAUZILISB-AEFFLSMTSA-N 0 3 300.446 3.207 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3ccsc32)C1 ZINC001033557247 660632075 /nfs/dbraw/zinc/63/20/75/660632075.db2.gz HDKHVUZQIPTJHO-HNNXBMFYSA-N 0 3 312.438 3.071 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001033579814 660633459 /nfs/dbraw/zinc/63/34/59/660633459.db2.gz BRPCTPVPLHYIPJ-LJQANCHMSA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001033579811 660633555 /nfs/dbraw/zinc/63/35/55/660633555.db2.gz BRPCTPVPLHYIPJ-IBGZPJMESA-N 0 3 310.441 3.124 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001033601062 660637131 /nfs/dbraw/zinc/63/71/31/660637131.db2.gz IPUWGENQTQKZRP-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001033626572 660641198 /nfs/dbraw/zinc/64/11/98/660641198.db2.gz RTYQBWNOLKOMKL-NVXWUHKLSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3cc(C)ccc3o2)C1 ZINC001033684113 660649525 /nfs/dbraw/zinc/64/95/25/660649525.db2.gz CYSYZDUZWXXLBN-MRXNPFEDSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2C)C1 ZINC001033706452 660652955 /nfs/dbraw/zinc/65/29/55/660652955.db2.gz GMBUCUKYHYXTDY-QGZVFWFLSA-N 0 3 314.473 3.381 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)sc2C)C1 ZINC001033889472 660674392 /nfs/dbraw/zinc/67/43/92/660674392.db2.gz ZSSVXUUZWVYPTH-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909740 660678138 /nfs/dbraw/zinc/67/81/38/660678138.db2.gz ZUFSDFSBZXEBIJ-ZJPYXAASSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033917298 660679884 /nfs/dbraw/zinc/67/98/84/660679884.db2.gz RSFRVUAGTCIUBQ-KRWDZBQOSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2F)C1 ZINC001033963514 660688503 /nfs/dbraw/zinc/68/85/03/660688503.db2.gz ATCSWONEPXEETD-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001033982192 660689887 /nfs/dbraw/zinc/68/98/87/660689887.db2.gz QPXYXWSNUCQLIT-IJXRJRJASA-N 0 3 324.468 3.071 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3ccncc3c2)C1 ZINC001034019638 660694336 /nfs/dbraw/zinc/69/43/36/660694336.db2.gz VSCFFTFBOZACRO-IBGZPJMESA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2sccc2COC)C1 ZINC001034019245 660694611 /nfs/dbraw/zinc/69/46/11/660694611.db2.gz OAEBRIZUWPSHQV-OAHLLOKOSA-N 0 3 322.474 3.007 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001034047909 660701483 /nfs/dbraw/zinc/70/14/83/660701483.db2.gz QBTKKRSEFPBJED-KRWDZBQOSA-N 0 3 324.468 3.043 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001034050543 660702664 /nfs/dbraw/zinc/70/26/64/660702664.db2.gz BYXPSIBWGOXCFC-SOAGJPPSSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)c(CC)s2)C1 ZINC001034040640 660696318 /nfs/dbraw/zinc/69/63/18/660696318.db2.gz YRGXUHJTUZGOEF-HNNXBMFYSA-N 0 3 318.486 3.179 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034297262 660733598 /nfs/dbraw/zinc/73/35/98/660733598.db2.gz YJLXSBSGOKSAAW-MRXNPFEDSA-N 0 3 304.434 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001034296258 660733814 /nfs/dbraw/zinc/73/38/14/660733814.db2.gz NKPBWYOLGWMXHB-ZDUSSCGKSA-N 0 3 323.387 3.180 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001034296257 660733872 /nfs/dbraw/zinc/73/38/72/660733872.db2.gz NKPBWYOLGWMXHB-CYBMUJFWSA-N 0 3 323.387 3.180 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001034333653 660738111 /nfs/dbraw/zinc/73/81/11/660738111.db2.gz JFRCGTDAFLDGQH-MRXNPFEDSA-N 0 3 313.445 3.038 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CCCCN(CC=C(C)C)C2)cc1 ZINC001034346008 660740929 /nfs/dbraw/zinc/74/09/29/660740929.db2.gz XMPSLUYPOPZBPT-IBGZPJMESA-N 0 3 310.441 3.218 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001034379594 660745598 /nfs/dbraw/zinc/74/55/98/660745598.db2.gz FAHPRGXRZHCJTR-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001034428758 660749453 /nfs/dbraw/zinc/74/94/53/660749453.db2.gz OBERHTGYTUDDGX-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001034449778 660755728 /nfs/dbraw/zinc/75/57/28/660755728.db2.gz AZNLWIRYYXZZRU-KRWDZBQOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034473208 660758753 /nfs/dbraw/zinc/75/87/53/660758753.db2.gz GJQSFOSXENUWQN-MRXNPFEDSA-N 0 3 315.461 3.054 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001034499535 660761226 /nfs/dbraw/zinc/76/12/26/660761226.db2.gz UOSSYZRKLMGOQL-ZDUSSCGKSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001034484597 660761840 /nfs/dbraw/zinc/76/18/40/660761840.db2.gz ARWKCWXNHPCNAV-QGZVFWFLSA-N 0 3 311.429 3.018 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001034487173 660761847 /nfs/dbraw/zinc/76/18/47/660761847.db2.gz MGHNLSGFWAWKDR-QGZVFWFLSA-N 0 3 317.477 3.374 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001034502279 660763034 /nfs/dbraw/zinc/76/30/34/660763034.db2.gz SINJLFSZKTYDRL-FUHWJXTLSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034515148 660765742 /nfs/dbraw/zinc/76/57/42/660765742.db2.gz MOTBCDQBMMKHKZ-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001034535153 660769369 /nfs/dbraw/zinc/76/93/69/660769369.db2.gz CAQNSIYCBKYPNF-IAGOWNOFSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001034540189 660770224 /nfs/dbraw/zinc/77/02/24/660770224.db2.gz GLPLGICMLLGMBO-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001034545643 660771957 /nfs/dbraw/zinc/77/19/57/660771957.db2.gz YPYQCNKPTIEXTM-INIZCTEOSA-N 0 3 312.457 3.254 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(C)c(Cl)c2)CC1 ZINC001005583493 660781511 /nfs/dbraw/zinc/78/15/11/660781511.db2.gz VJPVTKWKYJGJGA-UHFFFAOYSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC001005681226 660788492 /nfs/dbraw/zinc/78/84/92/660788492.db2.gz TZWDIBXBICQGHV-DLBZAZTESA-N 0 3 304.478 3.334 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc(C(C)C)c2)CC1 ZINC001005662016 660786043 /nfs/dbraw/zinc/78/60/43/660786043.db2.gz DYZOCBQKDOHGGY-UHFFFAOYSA-N 0 3 314.473 3.461 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC001005698925 660790387 /nfs/dbraw/zinc/79/03/87/660790387.db2.gz LGOPMBGYPUQSOE-UHFFFAOYSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001035015131 660809281 /nfs/dbraw/zinc/80/92/81/660809281.db2.gz VXMOWTLLEJWTMG-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN CCC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001035032931 660810792 /nfs/dbraw/zinc/81/07/92/660810792.db2.gz JXLCIVOBNFBQHG-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cc(C)ns1 ZINC001035036700 660811293 /nfs/dbraw/zinc/81/12/93/660811293.db2.gz GSQQNLMLAKKAFR-PBHICJAKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)CC2 ZINC001035708330 660846187 /nfs/dbraw/zinc/84/61/87/660846187.db2.gz VKSXXRCSPJWDSJ-HZPDHXFCSA-N 0 3 308.441 3.015 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C)CCCCCC1)CC2 ZINC001035723794 660847233 /nfs/dbraw/zinc/84/72/33/660847233.db2.gz NCOFWSGQLVFXLN-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]1CCC)CC2 ZINC001035737563 660848489 /nfs/dbraw/zinc/84/84/89/660848489.db2.gz JVKDQEBWXHORRU-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)CC2 ZINC001035779378 660851038 /nfs/dbraw/zinc/85/10/38/660851038.db2.gz MXYBHZFTLKCASS-IAGOWNOFSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]13C[C@@H]1CCCC3)CC2 ZINC001035788360 660852152 /nfs/dbraw/zinc/85/21/52/660852152.db2.gz FBUXDXWAMHWPTL-LPHOPBHVSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](F)c1ccccc1)CC2 ZINC001035803707 660854169 /nfs/dbraw/zinc/85/41/69/660854169.db2.gz CNPJMPKPKXXGQO-KRWDZBQOSA-N 0 3 316.420 3.198 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)c(C)s1)CC2 ZINC001035848909 660856142 /nfs/dbraw/zinc/85/61/42/660856142.db2.gz OWLWEFQMCRIEFQ-UHFFFAOYSA-N 0 3 318.486 3.479 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H]1CCCC[C@@H]1C)CC2 ZINC001035859346 660860816 /nfs/dbraw/zinc/86/08/16/660860816.db2.gz AERZOUCKBVRKFV-ZWKOTPCHSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCCC1(C)C)CC2 ZINC001035859367 660860841 /nfs/dbraw/zinc/86/08/41/660860841.db2.gz AAFGJWILCMKJNK-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN CCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccc(C#N)s1 ZINC001036497538 660912213 /nfs/dbraw/zinc/91/22/13/660912213.db2.gz XMTZLTSGHLZETC-XJKSGUPXSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC001006123441 660964994 /nfs/dbraw/zinc/96/49/94/660964994.db2.gz NSMQVKJPZUPLSZ-RBUKOAKNSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc3cc[nH]c32)CC1 ZINC001006026587 660957468 /nfs/dbraw/zinc/95/74/68/660957468.db2.gz UWLHITLAUFRWEP-UHFFFAOYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)C[C@H]1C ZINC000947981563 660967007 /nfs/dbraw/zinc/96/70/07/660967007.db2.gz YBWMSVHOZAAHFH-NEPJUHHUSA-N 0 3 312.866 3.479 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C[C@H](C)C3CC3)CC[C@@H]2C1 ZINC000946902385 660962094 /nfs/dbraw/zinc/96/20/94/660962094.db2.gz NCSAJYBDTHDUHK-RRQGHBQHSA-N 0 3 324.896 3.346 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3cccnc3s2)CC1 ZINC001006241016 660970658 /nfs/dbraw/zinc/97/06/58/660970658.db2.gz IILNYSIYPFPYEQ-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3cnccc3c2)CC1 ZINC001006252047 660971273 /nfs/dbraw/zinc/97/12/73/660971273.db2.gz NSDZPIQUNCWMDO-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc(C3CC3)s2)CC1 ZINC001006322280 660974463 /nfs/dbraw/zinc/97/44/63/660974463.db2.gz GHXONKBPFLLCOE-UHFFFAOYSA-N 0 3 319.474 3.133 20 30 DGEDHN Cc1c(Cl)cccc1N1CCCN(CCO[C@@H](C)C#N)CC1 ZINC000792883500 660991364 /nfs/dbraw/zinc/99/13/64/660991364.db2.gz KLBPGUBGONMTHY-AWEZNQCLSA-N 0 3 321.852 3.089 20 30 DGEDHN CC(=NN[C@@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000793115424 661005551 /nfs/dbraw/zinc/00/55/51/661005551.db2.gz MMVBPLYDMCZASN-HNNXBMFYSA-N 0 3 303.450 3.271 20 30 DGEDHN COCCCNN=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000794544458 661089831 /nfs/dbraw/zinc/08/98/31/661089831.db2.gz VLHKSJQNJIRSMH-UHFFFAOYSA-N 0 3 303.450 3.417 20 30 DGEDHN CSCCON=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000794575047 661092427 /nfs/dbraw/zinc/09/24/27/661092427.db2.gz VMAQRZUXBKZIAI-UHFFFAOYSA-N 0 3 310.438 3.200 20 30 DGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@@H](C)c1ccccc1 ZINC000794901643 661112750 /nfs/dbraw/zinc/11/27/50/661112750.db2.gz NOZXIPNGPKADTE-AWEZNQCLSA-N 0 3 319.412 3.448 20 30 DGEDHN C#CCCCN(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000795149686 661129562 /nfs/dbraw/zinc/12/95/62/661129562.db2.gz HRABYSCNIAKXIX-UHFFFAOYSA-N 0 3 320.436 3.237 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC000969122190 655525788 /nfs/dbraw/zinc/52/57/88/655525788.db2.gz YYLYYSUBKXZCPA-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC000969133638 655527085 /nfs/dbraw/zinc/52/70/85/655527085.db2.gz RFXWFGNSFXKEMY-SFHVURJKSA-N 0 3 320.436 3.447 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000969156525 655529293 /nfs/dbraw/zinc/52/92/93/655529293.db2.gz VPMAOANTHIUBFB-WZOJCFFYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001020464060 655539625 /nfs/dbraw/zinc/53/96/25/655539625.db2.gz WOHMQFKVVQQBFW-HAQNSBGRSA-N 0 3 312.866 3.015 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)C2=CCCC2)CCN1Cc1ccc(C#N)cc1 ZINC000947190462 655540166 /nfs/dbraw/zinc/54/01/66/655540166.db2.gz CGCYDWLAUYIWOB-HNAYVOBHSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cscc2C(F)F)C1 ZINC000969685135 655555126 /nfs/dbraw/zinc/55/51/26/655555126.db2.gz QMAHQAFZESUSJZ-SNVBAGLBSA-N 0 3 314.401 3.312 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000969800266 655557880 /nfs/dbraw/zinc/55/78/80/655557880.db2.gz CUCPDEKNMQGLGH-HNNXBMFYSA-N 0 3 310.441 3.028 20 30 DGEDHN C[C@H](C#N)OCCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795576303 661161037 /nfs/dbraw/zinc/16/10/37/661161037.db2.gz RSEKHUQUDBZTMB-DOMZBBRYSA-N 0 3 310.850 3.435 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2occc2-c2ccccc2)C1 ZINC000970104652 655575863 /nfs/dbraw/zinc/57/58/63/655575863.db2.gz KQXAGSUBNNBGPK-HNNXBMFYSA-N 0 3 322.408 3.020 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC000969049463 655585994 /nfs/dbraw/zinc/58/59/94/655585994.db2.gz KWMPKHPJDHFOEF-GOSISDBHSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000970352650 655596027 /nfs/dbraw/zinc/59/60/27/655596027.db2.gz YWBXBWWPLSQOFZ-NSHDSACASA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC000970611149 655609136 /nfs/dbraw/zinc/60/91/36/655609136.db2.gz YDTOPIGLIBMSAY-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C[C@@H](F)CC)C1 ZINC001021373904 655609288 /nfs/dbraw/zinc/60/92/88/655609288.db2.gz VSNNFIZDFWKWAU-HNSVSWJLSA-N 0 3 308.441 3.202 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000970787534 655620539 /nfs/dbraw/zinc/62/05/39/655620539.db2.gz CMGFRSSCTMWFAA-ZIUDEIKKSA-N 0 3 316.489 3.215 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000970809431 655623834 /nfs/dbraw/zinc/62/38/34/655623834.db2.gz ACAGQSCIAVFJIW-GFCCVEGCSA-N 0 3 324.827 3.414 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC(C)(C)C2)C1 ZINC001021656802 655650644 /nfs/dbraw/zinc/65/06/44/655650644.db2.gz XKEAEJOYNYVAQJ-ROUUACIJSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(C)c2)C1 ZINC001021690811 655656431 /nfs/dbraw/zinc/65/64/31/655656431.db2.gz KUGMXDCPQHSHDX-DOTOQJQBSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC001021718651 655663010 /nfs/dbraw/zinc/66/30/10/655663010.db2.gz HJLOBTZIENDOST-ICSRJNTNSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C(C)C)cc2)C1 ZINC001021722761 655664094 /nfs/dbraw/zinc/66/40/94/655664094.db2.gz QDQOZNGFUGYVLA-PMACEKPBSA-N 0 3 324.468 3.370 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C(C)C)cc2)C1 ZINC001021722762 655664257 /nfs/dbraw/zinc/66/42/57/655664257.db2.gz QDQOZNGFUGYVLA-UXHICEINSA-N 0 3 324.468 3.370 20 30 DGEDHN Cc1cccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000050680207 655673979 /nfs/dbraw/zinc/67/39/79/655673979.db2.gz JEERKMPQUXEBON-KRWDZBQOSA-N 0 3 312.413 3.085 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CCC1 ZINC000933301571 655698424 /nfs/dbraw/zinc/69/84/24/655698424.db2.gz QDPRAASSCBTCPL-QGZVFWFLSA-N 0 3 323.440 3.166 20 30 DGEDHN C#CCC1(N[C@H](CCCC)C(=O)Nc2cc(C)on2)CCC1 ZINC000933300706 655698460 /nfs/dbraw/zinc/69/84/60/655698460.db2.gz JXZKNDIHXRCNQX-CQSZACIVSA-N 0 3 303.406 3.016 20 30 DGEDHN C[C@]1(NCc2ccc(OCC#N)cc2)CCOc2ccccc21 ZINC000933365921 655705620 /nfs/dbraw/zinc/70/56/20/655705620.db2.gz BHOCNHJZEVUHLJ-IBGZPJMESA-N 0 3 308.381 3.376 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CC=C)[C@@H](C)C1 ZINC000947458148 655711372 /nfs/dbraw/zinc/71/13/72/655711372.db2.gz FIEQLQVQGFTWGG-HOTGVXAUSA-N 0 3 314.429 3.020 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(F)c3ccccc3c2)C1 ZINC000971647038 655716065 /nfs/dbraw/zinc/71/60/65/655716065.db2.gz JEKTWSAFUDXVFX-MRXNPFEDSA-N 0 3 312.388 3.311 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001022206114 655720529 /nfs/dbraw/zinc/72/05/29/655720529.db2.gz NJCNZHUWJYQETP-BETUJISGSA-N 0 3 318.804 3.344 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2oc3c(cccc3F)c2C)C1 ZINC000971687588 655721281 /nfs/dbraw/zinc/72/12/81/655721281.db2.gz ZSZMCYJOJYXPOU-CYBMUJFWSA-N 0 3 316.376 3.213 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Cl)s1 ZINC001039449630 655729903 /nfs/dbraw/zinc/72/99/03/655729903.db2.gz YZHHNQBVRWFEIS-OLZOCXBDSA-N 0 3 324.877 3.195 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](O)CN(C)Cc1cc(C#N)cs1 ZINC000933772783 655732528 /nfs/dbraw/zinc/73/25/28/655732528.db2.gz UZRPRCTYCOUIBX-DYVFJYSZSA-N 0 3 300.427 3.216 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001022484882 655742763 /nfs/dbraw/zinc/74/27/63/655742763.db2.gz SQHZHYQRHPJVLN-CALCHBBNSA-N 0 3 318.848 3.096 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000971901350 655744839 /nfs/dbraw/zinc/74/48/39/655744839.db2.gz FOMHXFNJAQJWAD-KRWDZBQOSA-N 0 3 320.436 3.271 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000972033539 655756253 /nfs/dbraw/zinc/75/62/53/655756253.db2.gz RYBKOYJFYFMUCQ-OAHLLOKOSA-N 0 3 311.429 3.117 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC000972082711 655763456 /nfs/dbraw/zinc/76/34/56/655763456.db2.gz RKOSVJOBFQQTHR-QGZVFWFLSA-N 0 3 318.436 3.379 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC000972081844 655763501 /nfs/dbraw/zinc/76/35/01/655763501.db2.gz JMSDXXBUCDLEFP-QGZVFWFLSA-N 0 3 318.436 3.379 20 30 DGEDHN CC(=O)[C@@](C#N)(CCN1CCCSC[C@@H]1C)c1ccccc1 ZINC000934297048 655764996 /nfs/dbraw/zinc/76/49/96/655764996.db2.gz XXJZHQACZVVHHT-YJBOKZPZSA-N 0 3 316.470 3.254 20 30 DGEDHN N#CC(C(=O)CCc1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000051653220 655775523 /nfs/dbraw/zinc/77/55/23/655775523.db2.gz KOYOPUHAUGWTEJ-OAHLLOKOSA-N 0 3 318.804 3.040 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001022857146 655793755 /nfs/dbraw/zinc/79/37/55/655793755.db2.gz CVCUNLOFXRLQKV-XYPHTWIQSA-N 0 3 320.864 3.342 20 30 DGEDHN C#CCOc1ccccc1CNCCOc1ccc(F)c(F)c1 ZINC000237772965 655797677 /nfs/dbraw/zinc/79/76/77/655797677.db2.gz QFFRNHZEJRASPZ-UHFFFAOYSA-N 0 3 317.335 3.145 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1cccs1 ZINC000069911058 655806381 /nfs/dbraw/zinc/80/63/81/655806381.db2.gz NZGVZSOEFSHJCM-CQSZACIVSA-N 0 3 306.431 3.086 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(F)cc(C)cc2F)C[C@@H]1C ZINC000947532977 655807232 /nfs/dbraw/zinc/80/72/32/655807232.db2.gz OVDQIFLIUUDVRB-QWHCGFSZSA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001023011098 655808462 /nfs/dbraw/zinc/80/84/62/655808462.db2.gz XOTMBUIWYPQRNP-AOOOYVTPSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001023030071 655809776 /nfs/dbraw/zinc/80/97/76/655809776.db2.gz MZHULFISAIFYJN-TXEJJXNPSA-N 0 3 322.767 3.175 20 30 DGEDHN COc1ccc(O)c(/C=N\C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000126917665 655812908 /nfs/dbraw/zinc/81/29/08/655812908.db2.gz BOGVHNPBIWNILB-BCUAHEQISA-N 0 3 316.376 3.262 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)oc3ccccc32)C1 ZINC001023391043 655830964 /nfs/dbraw/zinc/83/09/64/655830964.db2.gz WJRMBZZZLOQGOL-MRXNPFEDSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC000972612497 655849802 /nfs/dbraw/zinc/84/98/02/655849802.db2.gz LQNSPEDNILEGGU-SFHVURJKSA-N 0 3 321.424 3.081 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)C[C@H]1C ZINC000947579395 655849878 /nfs/dbraw/zinc/84/98/78/655849878.db2.gz APKNGFORQVOHQF-UZLBHIALSA-N 0 3 324.468 3.099 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C[C@@H]1C ZINC000947586860 655854895 /nfs/dbraw/zinc/85/48/95/655854895.db2.gz ZVJQXPVBGCOTSP-HOTGVXAUSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC001023716449 655856688 /nfs/dbraw/zinc/85/66/88/655856688.db2.gz NAWPMVTZKWPHJZ-GFCCVEGCSA-N 0 3 310.800 3.107 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001023764368 655863056 /nfs/dbraw/zinc/86/30/56/655863056.db2.gz CKCMQDJNKHKZIY-OAHLLOKOSA-N 0 3 324.424 3.070 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001023768345 655864077 /nfs/dbraw/zinc/86/40/77/655864077.db2.gz PZESDZMJWNKASM-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001023772769 655864163 /nfs/dbraw/zinc/86/41/63/655864163.db2.gz BBWCVTAPGQNIQE-KKXNLOMOSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000972791951 655882854 /nfs/dbraw/zinc/88/28/54/655882854.db2.gz YEDGCJNTIJKGQZ-LLVKDONJSA-N 0 3 313.228 3.326 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001024449316 655906328 /nfs/dbraw/zinc/90/63/28/655906328.db2.gz CLNJUHQQMWOAQB-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@H]21 ZINC001042181654 655910860 /nfs/dbraw/zinc/91/08/60/655910860.db2.gz IBVDFAXSKNCSEZ-JKSUJKDBSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001024534722 655914139 /nfs/dbraw/zinc/91/41/39/655914139.db2.gz FGOORLOQFJXPKU-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535600 655914488 /nfs/dbraw/zinc/91/44/88/655914488.db2.gz UOSASWDZVMTIDW-QGZVFWFLSA-N 0 3 313.445 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001024544041 655915250 /nfs/dbraw/zinc/91/52/50/655915250.db2.gz OBYNLECLAFUOHY-MRXNPFEDSA-N 0 3 304.434 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001024630855 655926093 /nfs/dbraw/zinc/92/60/93/655926093.db2.gz XZCSBEVLXWYRSX-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001024676776 655929573 /nfs/dbraw/zinc/92/95/73/655929573.db2.gz YJVGXJYHQFURQK-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001024697294 655931558 /nfs/dbraw/zinc/93/15/58/655931558.db2.gz UVPJZMNPYIYYNG-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001024776208 655938482 /nfs/dbraw/zinc/93/84/82/655938482.db2.gz UIDHLPHWSLGEJF-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024792645 655939189 /nfs/dbraw/zinc/93/91/89/655939189.db2.gz LITLHSJYQMMWKS-MRXNPFEDSA-N 0 3 311.429 3.328 20 30 DGEDHN C#C[C@H](C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229690100 655959505 /nfs/dbraw/zinc/95/95/05/655959505.db2.gz CTCVLBKVXQNPNQ-QMMMGPOBSA-N 0 3 322.124 3.459 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cccnc1 ZINC001025070416 655963878 /nfs/dbraw/zinc/96/38/78/655963878.db2.gz YNDFOXTXKKYIMW-IEBWSBKVSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1F ZINC001025191633 655975197 /nfs/dbraw/zinc/97/51/97/655975197.db2.gz LXQKGDOOYWGNAI-ROUUACIJSA-N 0 3 316.420 3.471 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025195738 655975699 /nfs/dbraw/zinc/97/56/99/655975699.db2.gz MEVZENXJYUPZBQ-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196496 655976722 /nfs/dbraw/zinc/97/67/22/655976722.db2.gz VMZRUEBNQSVUSN-UXHICEINSA-N 0 3 324.468 3.477 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cncs1 ZINC001025209134 655978747 /nfs/dbraw/zinc/97/87/47/655978747.db2.gz JDOCRIJDULLVOF-HUUCEWRRSA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001025215277 655979861 /nfs/dbraw/zinc/97/98/61/655979861.db2.gz LCRHBJBBNDLGRW-JKSUJKDBSA-N 0 3 316.489 3.147 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ncccc1C ZINC001025219841 655980255 /nfs/dbraw/zinc/98/02/55/655980255.db2.gz AFWQNXZTCXNACK-IAGOWNOFSA-N 0 3 313.445 3.035 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1csnc1C ZINC001025218555 655980365 /nfs/dbraw/zinc/98/03/65/655980365.db2.gz OKZFDPAAGCBHDB-HZPDHXFCSA-N 0 3 319.474 3.097 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC001025218482 655980391 /nfs/dbraw/zinc/98/03/91/655980391.db2.gz NJDOKAVKLGXAKT-OALUTQOASA-N 0 3 314.473 3.356 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1csnc1C ZINC001025218554 655980726 /nfs/dbraw/zinc/98/07/26/655980726.db2.gz OKZFDPAAGCBHDB-HOTGVXAUSA-N 0 3 319.474 3.097 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccns1 ZINC001025236872 655983481 /nfs/dbraw/zinc/98/34/81/655983481.db2.gz IBRHJZKELBSXDH-HUUCEWRRSA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1ccc(C)cc1 ZINC001025248142 655984392 /nfs/dbraw/zinc/98/43/92/655984392.db2.gz VTFVPTNMWQBADF-WOJBJXKFSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CC)CCC1 ZINC001025259556 655985539 /nfs/dbraw/zinc/98/55/39/655985539.db2.gz OMHTZPBBOIWDFZ-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCC(=C)CC1 ZINC001025263303 655986105 /nfs/dbraw/zinc/98/61/05/655986105.db2.gz KOQXKUVSSGSLJM-MOPGFXCFSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cccc(C)c1 ZINC001025264112 655986243 /nfs/dbraw/zinc/98/62/43/655986243.db2.gz WCBRFUUKYDUDQB-VQTJNVASSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)ccc1C ZINC001025294011 655989687 /nfs/dbraw/zinc/98/96/87/655989687.db2.gz VZUITZVLRRQQEX-UXHICEINSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)cc1C ZINC001025294346 655989796 /nfs/dbraw/zinc/98/97/96/655989796.db2.gz ADALPWZYLQCGHX-PMACEKPBSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1 ZINC001025297441 655990028 /nfs/dbraw/zinc/99/00/28/655990028.db2.gz QCNZXFDFWFHBCW-VQTJNVASSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)c1C ZINC001025298301 655990573 /nfs/dbraw/zinc/99/05/73/655990573.db2.gz WBRRDTYEHKWTPL-PMACEKPBSA-N 0 3 324.468 3.396 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025361842 655999620 /nfs/dbraw/zinc/99/96/20/655999620.db2.gz RJYPCKJWTQBCPI-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2csc(C)c2C)C1 ZINC001025427660 656010783 /nfs/dbraw/zinc/01/07/83/656010783.db2.gz GUUVWPQUTSUVMF-GOEBONIOSA-N 0 3 318.486 3.219 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC001025473462 656018800 /nfs/dbraw/zinc/01/88/00/656018800.db2.gz DLWIQJTXKZYXKV-HZPDHXFCSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001025484503 656021859 /nfs/dbraw/zinc/02/18/59/656021859.db2.gz FFPHIOXZVRHDBA-WMZOPIPTSA-N 0 3 324.468 3.336 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC001025491802 656023466 /nfs/dbraw/zinc/02/34/66/656023466.db2.gz YUIFZOHJVBWMSX-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC001025549762 656034781 /nfs/dbraw/zinc/03/47/81/656034781.db2.gz VCVGZYXLTMFKTO-QWHCGFSZSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001025592304 656041038 /nfs/dbraw/zinc/04/10/38/656041038.db2.gz NNVMDSIMWXESLT-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC001025601206 656042956 /nfs/dbraw/zinc/04/29/56/656042956.db2.gz AXIBVBZZXWBROE-GOEBONIOSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025602553 656044111 /nfs/dbraw/zinc/04/41/11/656044111.db2.gz IIDQQENTMHTJNN-XSLAGTTESA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603906 656044489 /nfs/dbraw/zinc/04/44/89/656044489.db2.gz YYPGJOMQHFJDRH-XSLAGTTESA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC001025614120 656047600 /nfs/dbraw/zinc/04/76/00/656047600.db2.gz GPTUWDYRGHEBSY-BBRMVZONSA-N 0 3 318.486 3.082 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001025630029 656051962 /nfs/dbraw/zinc/05/19/62/656051962.db2.gz OELNWMFHYDXRAS-HZPDHXFCSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025631712 656052499 /nfs/dbraw/zinc/05/24/99/656052499.db2.gz DKEXIAVDUAHBCV-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001020332800 656072588 /nfs/dbraw/zinc/07/25/88/656072588.db2.gz WBPYWFNRXRHDIK-HAQNSBGRSA-N 0 3 322.767 3.175 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000092567621 656160274 /nfs/dbraw/zinc/16/02/74/656160274.db2.gz GZYODSLFXUBYPJ-UHFFFAOYSA-N 0 3 323.440 3.273 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)C[C@@H]1C ZINC000947693191 656195445 /nfs/dbraw/zinc/19/54/45/656195445.db2.gz IALNQRSLLNEVLQ-GJZGRUSLSA-N 0 3 318.848 3.254 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)n(CC)c2C)C(C)(C)C1 ZINC000974787962 656230334 /nfs/dbraw/zinc/23/03/34/656230334.db2.gz GTMZSKBCEYLYHP-QGZVFWFLSA-N 0 3 317.477 3.141 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cc(Cl)c2)C(C)(C)C1 ZINC000974822455 656232090 /nfs/dbraw/zinc/23/20/90/656232090.db2.gz AAVYCBNDOHBVJY-INIZCTEOSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C(C)(C)C1 ZINC000974834665 656233219 /nfs/dbraw/zinc/23/32/19/656233219.db2.gz YVWHSBYBSRFOLK-MOPGFXCFSA-N 0 3 324.468 3.030 20 30 DGEDHN N#CC(C(=O)C=CSc1ccccc1)C(=O)Nc1ccccn1 ZINC000195282219 656248117 /nfs/dbraw/zinc/24/81/17/656248117.db2.gz WMQGTOXTVBTICZ-MARXPDLDSA-N 0 3 323.377 3.035 20 30 DGEDHN C[C@@H]1OCC[C@]12CN(CCCCC1(C#N)CCC1)C[C@@H](C)O2 ZINC000930269911 661242501 /nfs/dbraw/zinc/24/25/01/661242501.db2.gz WDLQAWXFOLEYLB-RYRKJORJSA-N 0 3 306.450 3.119 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C(C)(C)C1 ZINC000975063288 656252724 /nfs/dbraw/zinc/25/27/24/656252724.db2.gz HRCINMNDQORUIM-ZACQAIPSSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001009290267 656279903 /nfs/dbraw/zinc/27/99/03/656279903.db2.gz VQTFPHWFDKCVHH-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001009437628 656288190 /nfs/dbraw/zinc/28/81/90/656288190.db2.gz TWQZMUXDHXHCHA-CQSZACIVSA-N 0 3 318.486 3.397 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001027450200 656308198 /nfs/dbraw/zinc/30/81/98/656308198.db2.gz KSBWHNRMOMXZME-GUDVDZBRSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2scnc2C(C)C)C(C)(C)C1 ZINC000977273768 656319559 /nfs/dbraw/zinc/31/95/59/656319559.db2.gz PFNWKOQIXSGUIF-CYBMUJFWSA-N 0 3 321.490 3.283 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977308438 656321560 /nfs/dbraw/zinc/32/15/60/656321560.db2.gz HJTVNGKYLBAGPC-OPYAIIAOSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001027509504 656323799 /nfs/dbraw/zinc/32/37/99/656323799.db2.gz CNCZRDNWBPFMOY-HXUWFJFHSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C(C)(C)C1 ZINC000977375416 656325485 /nfs/dbraw/zinc/32/54/85/656325485.db2.gz ZQHCMSZBUSSBDD-WMZOPIPTSA-N 0 3 312.457 3.119 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(C(C)C)c2)C(C)(C)C1 ZINC000977420639 656327733 /nfs/dbraw/zinc/32/77/33/656327733.db2.gz OOFVNNGAEPPPKL-SFHVURJKSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(C)ccc2F)C(C)(C)C1 ZINC000977490710 656334368 /nfs/dbraw/zinc/33/43/68/656334368.db2.gz AWHQUOIZQIIQBL-KRWDZBQOSA-N 0 3 318.436 3.079 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2OC)C(C)(C)C1 ZINC000977529664 656339231 /nfs/dbraw/zinc/33/92/31/656339231.db2.gz XRAFYNQLYQKMOB-KRWDZBQOSA-N 0 3 316.445 3.020 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)C(C)(C)C1 ZINC000977529548 656339348 /nfs/dbraw/zinc/33/93/48/656339348.db2.gz UAFJJAYDQPBGML-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2nc(C)c(C)s2)C(C)(C)C1 ZINC000977608502 656347604 /nfs/dbraw/zinc/34/76/04/656347604.db2.gz AYAVYIZQCQSUCO-CQSZACIVSA-N 0 3 321.490 3.166 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(CF)cc2)C(C)(C)C1 ZINC000977646621 656352393 /nfs/dbraw/zinc/35/23/93/656352393.db2.gz URHLFOALDHTRMD-MRXNPFEDSA-N 0 3 304.409 3.172 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2CC)C(C)(C)C1 ZINC000977654291 656352791 /nfs/dbraw/zinc/35/27/91/656352791.db2.gz KIELAZOQXGDJHI-AWEZNQCLSA-N 0 3 306.475 3.327 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(C3CC3)c2)C(C)(C)C1 ZINC000977652969 656353171 /nfs/dbraw/zinc/35/31/71/656353171.db2.gz QXBQXJCBOWGVFT-GOSISDBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977638976 656354221 /nfs/dbraw/zinc/35/42/21/656354221.db2.gz WNSXJKKXVXSJHP-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001027577611 656364068 /nfs/dbraw/zinc/36/40/68/656364068.db2.gz OQMJLEGBSKSXQY-SFHVURJKSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001027644406 656383348 /nfs/dbraw/zinc/38/33/48/656383348.db2.gz CLIGKBILQBAQLF-DOTOQJQBSA-N 0 3 324.424 3.092 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C3CC3)cn2)CC1 ZINC001006359788 661257936 /nfs/dbraw/zinc/25/79/36/661257936.db2.gz FWAFHVRYBMWVCV-UHFFFAOYSA-N 0 3 313.445 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)c(C)s2)CC1 ZINC001006376419 661258201 /nfs/dbraw/zinc/25/82/01/661258201.db2.gz CYQFPPHPGOSSNP-UHFFFAOYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC001006378667 661258881 /nfs/dbraw/zinc/25/88/81/661258881.db2.gz WVODAECZAUJBNJ-UHFFFAOYSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2CC(C)C)C1 ZINC001027698715 656399566 /nfs/dbraw/zinc/39/95/66/656399566.db2.gz PHWUREVEXMJOJW-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001027704387 656401644 /nfs/dbraw/zinc/40/16/44/656401644.db2.gz OXCZACHKIPKOTJ-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc([C@H](C)CC)cc3)[C@@H]2C1 ZINC000979112253 656413339 /nfs/dbraw/zinc/41/33/39/656413339.db2.gz OPOBQXYKWRXEQC-XLNTUCKNSA-N 0 3 324.468 3.131 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3occc3C)C[C@H]2C1 ZINC000979500093 656431665 /nfs/dbraw/zinc/43/16/65/656431665.db2.gz DCCQPWFCMIOPNH-SOUVJXGZSA-N 0 3 322.836 3.171 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccoc3C)C[C@@H]2C1 ZINC000979535057 656434954 /nfs/dbraw/zinc/43/49/54/656434954.db2.gz UWCZHVUGLCDFRQ-RRFJBIMHSA-N 0 3 322.836 3.171 20 30 DGEDHN 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C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)C(C)(C)C)C2)C1 ZINC001040330862 656577136 /nfs/dbraw/zinc/57/71/36/656577136.db2.gz FZFGZIOHVMRWDN-LJQANCHMSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccoc3C3CC3)C2)C1 ZINC001040355952 656580096 /nfs/dbraw/zinc/58/00/96/656580096.db2.gz ZZOKIPVYEABYAT-LJQANCHMSA-N 0 3 314.429 3.271 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@]3(C2)CCCN(CC#CC)C3)CC1 ZINC001040371959 656582676 /nfs/dbraw/zinc/58/26/76/656582676.db2.gz MZYVBKUIXJSSED-HXUWFJFHSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 ZINC001040503884 656592175 /nfs/dbraw/zinc/59/21/75/656592175.db2.gz WHSBKIRCLGAWLW-QWFCFKBJSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC001040506510 656592489 /nfs/dbraw/zinc/59/24/89/656592489.db2.gz MQOXMLLUWAFGSB-NRFANRHFSA-N 0 3 324.468 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C ZINC001049298236 656594629 /nfs/dbraw/zinc/59/46/29/656594629.db2.gz 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C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001049750424 656678775 /nfs/dbraw/zinc/67/87/75/656678775.db2.gz WPUAARCFOCFJML-ZJPYXAASSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)ccc1F ZINC001049751246 656679126 /nfs/dbraw/zinc/67/91/26/656679126.db2.gz RTYXACBNFOXQJA-ROUUACIJSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1csc(Cl)c1 ZINC001049762201 656681773 /nfs/dbraw/zinc/68/17/73/656681773.db2.gz OHZSGOQMGMMXSA-OLZOCXBDSA-N 0 3 310.850 3.266 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccsc1Cl ZINC001049761892 656681899 /nfs/dbraw/zinc/68/18/99/656681899.db2.gz MRDDJVQHIVKAEQ-CHWSQXEVSA-N 0 3 310.850 3.266 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)c1ccccc1C ZINC001049762872 656682716 /nfs/dbraw/zinc/68/27/16/656682716.db2.gz RVXJOZWEELBNOD-DFQSSKMNSA-N 0 3 324.468 3.187 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)c1ccccc1C ZINC001049762878 656683272 /nfs/dbraw/zinc/68/32/72/656683272.db2.gz RVXJOZWEELBNOD-YSIASYRMSA-N 0 3 324.468 3.187 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@]3(C)CC=C(C)CC3)C2)C1 ZINC001041838416 656683430 /nfs/dbraw/zinc/68/34/30/656683430.db2.gz CFNHCQCYPYVZLK-VQTJNVASSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)c3ccccc3C)C2)C1 ZINC001041842566 656684444 /nfs/dbraw/zinc/68/44/44/656684444.db2.gz IHDFWFOFDYZDLC-RXVVDRJESA-N 0 3 324.468 3.046 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC(CC1)C2(C)C ZINC001049772418 656684518 /nfs/dbraw/zinc/68/45/18/656684518.db2.gz HEZUNXVYKNCRSD-RXCRORICSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnoc1C(C)C ZINC001049820894 656692232 /nfs/dbraw/zinc/69/22/32/656692232.db2.gz PFCGPJGOLFZQCX-HOTGVXAUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncsc1C(C)C ZINC001049844804 656696679 /nfs/dbraw/zinc/69/66/79/656696679.db2.gz RSMHYWRCLXGAMP-ZIAGYGMSSA-N 0 3 319.474 3.131 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(CC(C)C)c[nH]1 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DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(F)cc1F ZINC001049875096 656709016 /nfs/dbraw/zinc/70/90/16/656709016.db2.gz JVULJJNAQGEVGN-IAGOWNOFSA-N 0 3 320.383 3.220 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@H]21 ZINC001042066233 656717457 /nfs/dbraw/zinc/71/74/57/656717457.db2.gz CORMCFPXONRAEN-RHSMWYFYSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(F)c(C)c1 ZINC001049907102 656718394 /nfs/dbraw/zinc/71/83/94/656718394.db2.gz VJSYHIZWRHDUDM-IRXDYDNUSA-N 0 3 316.420 3.307 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC(CC1)CC2 ZINC001049908434 656718965 /nfs/dbraw/zinc/71/89/65/656718965.db2.gz MNMUONNBKVWLMO-VIHIWDAPSA-N 0 3 302.462 3.208 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3C(C)C)C[C@H]21 ZINC001042081902 656720440 /nfs/dbraw/zinc/72/04/40/656720440.db2.gz DKZYURXZDGEOQC-YLJYHZDGSA-N 0 3 324.468 3.370 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001049914401 656720840 /nfs/dbraw/zinc/72/08/40/656720840.db2.gz CSUUYBNEBWECHM-OKZBNKHCSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)c1ccccc1 ZINC001049918078 656723135 /nfs/dbraw/zinc/72/31/35/656723135.db2.gz KIMTTWOZARPBLM-OALUTQOASA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)c1ccccc1 ZINC001049918080 656723272 /nfs/dbraw/zinc/72/32/72/656723272.db2.gz KIMTTWOZARPBLM-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(c2ccccc2C)CC1 ZINC001049927809 656726209 /nfs/dbraw/zinc/72/62/09/656726209.db2.gz NVFOBBDKKAKAAK-RBUKOAKNSA-N 0 3 324.468 3.278 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]21 ZINC001042206727 656737053 /nfs/dbraw/zinc/73/70/53/656737053.db2.gz NCFDXJRKGIGTHV-MLGOLLRUSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C3CCC3)C[C@H]21 ZINC001042234320 656741943 /nfs/dbraw/zinc/74/19/43/656741943.db2.gz LGSRMKFKGZWTST-RHSMWYFYSA-N 0 3 313.445 3.005 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)C[C@H]21 ZINC001042245637 656744570 /nfs/dbraw/zinc/74/45/70/656744570.db2.gz RKXZSHAHWLZTQD-SWLSCSKDSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)C[C@H]21 ZINC001042245890 656744770 /nfs/dbraw/zinc/74/47/70/656744770.db2.gz UCEIAKLFOIAPAI-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)C[C@H]21 ZINC001042245636 656744793 /nfs/dbraw/zinc/74/47/93/656744793.db2.gz RKXZSHAHWLZTQD-IUODEOHRSA-N 0 3 322.811 3.202 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC3CCCCCC3)C[C@H]21 ZINC001042248720 656745022 /nfs/dbraw/zinc/74/50/22/656745022.db2.gz ZSXASRHGXWWJBX-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C34CCC(CC3)C4(C)C)C[C@@H]21 ZINC001042262663 656746128 /nfs/dbraw/zinc/74/61/28/656746128.db2.gz NSHKBFQOUUGGMG-YJBCQJRQSA-N 0 3 316.489 3.312 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001052676659 656746534 /nfs/dbraw/zinc/74/65/34/656746534.db2.gz IQXFSGDNIJWRAM-YOEHRIQHSA-N 0 3 318.848 3.047 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000981679826 656747704 /nfs/dbraw/zinc/74/77/04/656747704.db2.gz UTGPGIGRWMCOOJ-UHFFFAOYSA-N 0 3 312.457 3.217 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(CC)(CC)CC)C[C@H]21 ZINC001042290301 656748811 /nfs/dbraw/zinc/74/88/11/656748811.db2.gz PFPFYSGSVAJKTF-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCc2cccc(C)c2)CC1 ZINC000981704753 656750284 /nfs/dbraw/zinc/75/02/84/656750284.db2.gz OPUDBLYCOGBGDU-UHFFFAOYSA-N 0 3 300.446 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC000981754526 656759847 /nfs/dbraw/zinc/75/98/47/656759847.db2.gz HUHUFGSNXWWLND-MRXNPFEDSA-N 0 3 300.446 3.494 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3oc4ccccc4c3C)C[C@H]21 ZINC001042341172 656760637 /nfs/dbraw/zinc/76/06/37/656760637.db2.gz JZEUIVSKOAWCQM-NVXWUHKLSA-N 0 3 324.424 3.464 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)c3cccc4ccccc43)C[C@@H]21 ZINC001042343749 656761249 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C#CCN1CCC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC001052867649 656779404 /nfs/dbraw/zinc/77/94/04/656779404.db2.gz NADUBXBPDQRYTB-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001028133834 656782477 /nfs/dbraw/zinc/78/24/77/656782477.db2.gz KPIVGTOMVCLQHG-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cccc3ccccc32)CC1 ZINC001052906854 656787240 /nfs/dbraw/zinc/78/72/40/656787240.db2.gz HCSOFSMYOMYLSI-KRWDZBQOSA-N 0 3 306.409 3.057 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000981872882 656791838 /nfs/dbraw/zinc/79/18/38/656791838.db2.gz BVDWSYMDIDOORP-UHFFFAOYSA-N 0 3 324.827 3.132 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(CC)s3)C2)C1 ZINC000981876930 656792718 /nfs/dbraw/zinc/79/27/18/656792718.db2.gz FVQYEWOWRPOWPI-UHFFFAOYSA-N 0 3 304.459 3.035 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3CCC4(CC4)CC3)C2)C1 ZINC000981894738 656797337 /nfs/dbraw/zinc/79/73/37/656797337.db2.gz MBQAMQWTKGLPTH-UHFFFAOYSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)CC1 ZINC001052960739 656798471 /nfs/dbraw/zinc/79/84/71/656798471.db2.gz ZOJWKGFVULZINB-AZUAARDMSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000981887730 656798557 /nfs/dbraw/zinc/79/85/57/656798557.db2.gz CMONTCQLELOXMP-LJQANCHMSA-N 0 3 324.468 3.291 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C2(c3ccc(C)cc3)CCC2)CC1 ZINC001052967979 656800195 /nfs/dbraw/zinc/80/01/95/656800195.db2.gz QVMXSCGUTNDONN-LJQANCHMSA-N 0 3 324.468 3.021 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3(C4CCC4)CCC3)C2)C1 ZINC000981918619 656802758 /nfs/dbraw/zinc/80/27/58/656802758.db2.gz AEFRBVPPABUZHN-UHFFFAOYSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C(C)(F)F)cc2)CC1 ZINC001052975677 656804222 /nfs/dbraw/zinc/80/42/22/656804222.db2.gz GZHJLZMEBASVOF-INIZCTEOSA-N 0 3 320.383 3.016 20 30 DGEDHN CC(=O)N1CCC[C@@H]([C@@H]2CCCN(CC#Cc3ccccc3)C2)C1 ZINC001052997642 656809345 /nfs/dbraw/zinc/80/93/45/656809345.db2.gz 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/nfs/dbraw/zinc/87/13/37/656871337.db2.gz JFLCOFDRJICORF-KRWDZBQOSA-N 0 3 300.446 3.364 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccccc1 ZINC001054028851 656882832 /nfs/dbraw/zinc/88/28/32/656882832.db2.gz YJLWQHLYOXEUGY-HXUWFJFHSA-N 0 3 320.436 3.419 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(C(F)F)cc3)C2)C1 ZINC000982069718 656885964 /nfs/dbraw/zinc/88/59/64/656885964.db2.gz FKVZCJVJPXDSBB-UHFFFAOYSA-N 0 3 320.383 3.348 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1CC=CC1 ZINC001054035272 656887736 /nfs/dbraw/zinc/88/77/36/656887736.db2.gz IKZXIKYUPCVTPW-LJQANCHMSA-N 0 3 310.441 3.072 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000982128083 656902138 /nfs/dbraw/zinc/90/21/38/656902138.db2.gz ZZHLJCMKPOGGAZ-UHFFFAOYSA-N 0 3 304.821 3.064 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc4c(cccc4C)o3)C2)C1 ZINC000982167255 656909103 /nfs/dbraw/zinc/90/91/03/656909103.db2.gz FYADAGRIUYNHLN-UHFFFAOYSA-N 0 3 324.424 3.465 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CCCCCC1)C2 ZINC001054098284 656910287 /nfs/dbraw/zinc/91/02/87/656910287.db2.gz PLXKSQCBHJGPML-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC=CCCC1)C2 ZINC001054152181 656920499 /nfs/dbraw/zinc/92/04/99/656920499.db2.gz BGAUHKSUHHCVNE-AZUAARDMSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC3(C)CCCC3)C[C@]2(C)C1 ZINC000982272905 656930850 /nfs/dbraw/zinc/93/08/50/656930850.db2.gz BMJDHOJHVMDZCH-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2ccsc21 ZINC001028241759 656937902 /nfs/dbraw/zinc/93/79/02/656937902.db2.gz TVJWJZTYWJYJDP-CQSZACIVSA-N 0 3 300.427 3.282 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)c1cccc(C)c1)C2 ZINC001054207354 656938294 /nfs/dbraw/zinc/93/82/94/656938294.db2.gz WSNVUXRFYGGVNF-WIYYLYMNSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001054244317 656947231 /nfs/dbraw/zinc/94/72/31/656947231.db2.gz UJMODGWVGUWWSL-WOJBJXKFSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(C)sc3C)C[C@]2(C)C1 ZINC000982344437 656953189 /nfs/dbraw/zinc/95/31/89/656953189.db2.gz DUGKSIDQWWYYER-HDICACEKSA-N 0 3 318.486 3.335 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001028268454 656954972 /nfs/dbraw/zinc/95/49/72/656954972.db2.gz SYGJKZNEXOSUQE-QGZVFWFLSA-N 0 3 324.424 3.267 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CC[C@H](F)C3)cc2C1 ZINC001054279172 656958855 /nfs/dbraw/zinc/95/88/55/656958855.db2.gz WSVAWQCPRUMHAF-QAPCUYQASA-N 0 3 316.420 3.333 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C(C)C)cc2C1 ZINC001054288102 656963636 /nfs/dbraw/zinc/96/36/36/656963636.db2.gz KLJTVEHPTKPQBJ-MOPGFXCFSA-N 0 3 312.457 3.487 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@]2(C)CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC000982430688 656970228 /nfs/dbraw/zinc/97/02/28/656970228.db2.gz BRBCUUYYKULVNP-JCGIZDLHSA-N 0 3 310.457 3.117 20 30 DGEDHN CCC(CC)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001044936084 656984484 /nfs/dbraw/zinc/98/44/84/656984484.db2.gz YZZGZZKFFLONOH-AWEZNQCLSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001028324047 656992422 /nfs/dbraw/zinc/99/24/22/656992422.db2.gz KJVHWLREFFYLIN-MRXNPFEDSA-N 0 3 304.409 3.213 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNCc1ncccc1C ZINC001045148838 656995646 /nfs/dbraw/zinc/99/56/46/656995646.db2.gz HLZNKBOTZQWQPI-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001028357307 657005865 /nfs/dbraw/zinc/00/58/65/657005865.db2.gz DKMPNGCUCJITKF-OAHLLOKOSA-N 0 3 308.372 3.179 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccc(CCC)cc3)C[C@]2(C)C1 ZINC000982497215 657018977 /nfs/dbraw/zinc/01/89/77/657018977.db2.gz PFAUADASXQJZDM-OYRHEFFESA-N 0 3 324.468 3.056 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@H](C)C3)C[C@]2(C)C1 ZINC000982498315 657021152 /nfs/dbraw/zinc/02/11/52/657021152.db2.gz WIQWJPGGJCFLRS-KVPLUYHFSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cccc(Cl)c2C)CC1 ZINC001045446757 657024036 /nfs/dbraw/zinc/02/40/36/657024036.db2.gz HWEQTOFLRWAIHK-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@H]3CC)C[C@]2(C)C1 ZINC000982519309 657035907 /nfs/dbraw/zinc/03/59/07/657035907.db2.gz BSXYZOJROGCHSB-LFGUQSLTSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 ZINC001045582856 657040148 /nfs/dbraw/zinc/04/01/48/657040148.db2.gz NBXPFICLISALJN-HUUCEWRRSA-N 0 3 318.486 3.317 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(OC(C)C)cc2)CC1 ZINC001045632193 657046167 /nfs/dbraw/zinc/04/61/67/657046167.db2.gz LNVBLTBBCALYFN-UHFFFAOYSA-N 0 3 316.445 3.244 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001045646685 657048487 /nfs/dbraw/zinc/04/84/87/657048487.db2.gz LQUJMAXIDJNDCV-UHFFFAOYSA-N 0 3 310.441 3.172 20 30 DGEDHN CC(C)=CC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001045702268 657056016 /nfs/dbraw/zinc/05/60/16/657056016.db2.gz ISFALYCTKGGDBI-MOPGFXCFSA-N 0 3 323.440 3.090 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](C)C3CCCC3)C[C@]2(C)C1 ZINC000982724911 657084126 /nfs/dbraw/zinc/08/41/26/657084126.db2.gz GFVKFVJNEVBPMF-AHRSYUTCSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccccc3Cl)C[C@]2(C)C1 ZINC000982753808 657085998 /nfs/dbraw/zinc/08/59/98/657085998.db2.gz XRFGUMPAEVWOGY-HDICACEKSA-N 0 3 318.848 3.310 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC1CCCC1)C2 ZINC001045911492 657086709 /nfs/dbraw/zinc/08/67/09/657086709.db2.gz JXPAOAJBDXUIQQ-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccsc1)C2 ZINC001045911275 657087196 /nfs/dbraw/zinc/08/71/96/657087196.db2.gz FGYJIVWBQQNJHK-GOSISDBHSA-N 0 3 316.470 3.090 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(C)s1)C2 ZINC001045910520 657087220 /nfs/dbraw/zinc/08/72/20/657087220.db2.gz WTOGNMWDDAVEOW-GOSISDBHSA-N 0 3 316.470 3.008 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC=CCC1)C2 ZINC001045914381 657090921 /nfs/dbraw/zinc/09/09/21/657090921.db2.gz MSRLPRJYIFFVSE-QUCCMNQESA-N 0 3 314.473 3.071 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001000091122 657092371 /nfs/dbraw/zinc/09/23/71/657092371.db2.gz DTQANYZWTWXWAH-PBHICJAKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001000090290 657092670 /nfs/dbraw/zinc/09/26/70/657092670.db2.gz WNZKKHPZNWGPSU-WMLDXEAASA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1C=CCCC1)C2 ZINC001045947549 657102278 /nfs/dbraw/zinc/10/22/78/657102278.db2.gz MGKVUFVVKWMGLM-UYAOXDASSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC000982842576 657103486 /nfs/dbraw/zinc/10/34/86/657103486.db2.gz QCULKPGQRCCVNU-FFZOFVMBSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)CC)C2 ZINC001045960769 657106708 /nfs/dbraw/zinc/10/67/08/657106708.db2.gz SASAXOVNQUWOPH-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(C)CC=CC1)C2 ZINC001045964477 657107667 /nfs/dbraw/zinc/10/76/67/657107667.db2.gz IVBBHYOBBWEXAU-FQEVSTJZSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001045970845 657110083 /nfs/dbraw/zinc/11/00/83/657110083.db2.gz JXLMENJSEFSKRZ-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001045970846 657110403 /nfs/dbraw/zinc/11/04/03/657110403.db2.gz JXLMENJSEFSKRZ-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001045970843 657110423 /nfs/dbraw/zinc/11/04/23/657110423.db2.gz JXLMENJSEFSKRZ-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@@]3(CC)C(C)C)CC2)CC1 ZINC001000302685 657110888 /nfs/dbraw/zinc/11/08/88/657110888.db2.gz YESOICYIGPXTHL-HKUYNNGSSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCCCC3(C)C)CC2)CC1 ZINC001000339249 657115520 /nfs/dbraw/zinc/11/55/20/657115520.db2.gz ZCQKZRQVGQVPFJ-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC001000341351 657115974 /nfs/dbraw/zinc/11/59/74/657115974.db2.gz PVFHSQNVLDSOGV-HZPDHXFCSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001028674489 657139609 /nfs/dbraw/zinc/13/96/09/657139609.db2.gz VOAPCXIHNDGANF-GOSISDBHSA-N 0 3 312.457 3.104 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001038403517 657153756 /nfs/dbraw/zinc/15/37/56/657153756.db2.gz TVMRWARKNNBUQD-CYBMUJFWSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046417185 657158710 /nfs/dbraw/zinc/15/87/10/657158710.db2.gz CCXIYWOOQQOGAC-UXLLHSPISA-N 0 3 304.459 3.008 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2coc3cc(F)ccc23)C1 ZINC001046436375 657161335 /nfs/dbraw/zinc/16/13/35/657161335.db2.gz PDXJWMGWOXEGBG-SFHVURJKSA-N 0 3 316.376 3.342 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(CCCC)cc2)C1 ZINC001046465630 657165516 /nfs/dbraw/zinc/16/55/16/657165516.db2.gz RCANYTAQHHEUHG-HXUWFJFHSA-N 0 3 312.457 3.247 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001000928817 657165650 /nfs/dbraw/zinc/16/56/50/657165650.db2.gz YTNFFHQSIGKOGW-SJORKVTESA-N 0 3 302.462 3.159 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001046462484 657165709 /nfs/dbraw/zinc/16/57/09/657165709.db2.gz FYGCUJNJOHPZCM-FQEVSTJZSA-N 0 3 323.440 3.248 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001046529765 657174458 /nfs/dbraw/zinc/17/44/58/657174458.db2.gz BAXRIPBFHQQWID-NRFANRHFSA-N 0 3 318.420 3.062 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC001001032118 657176595 /nfs/dbraw/zinc/17/65/95/657176595.db2.gz QHXAMKMKSDSHIM-UHFFFAOYSA-N 0 3 309.413 3.024 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cccc(Cl)c2F)CC1 ZINC001001110264 657185309 /nfs/dbraw/zinc/18/53/09/657185309.db2.gz OFCZEMFTPIHOIY-UHFFFAOYSA-N 0 3 308.784 3.027 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046632618 657190983 /nfs/dbraw/zinc/19/09/83/657190983.db2.gz ZYALPYKOSSEPED-LJQANCHMSA-N 0 3 313.445 3.038 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001028816929 657191085 /nfs/dbraw/zinc/19/10/85/657191085.db2.gz OGUSITQKZUUVRV-MRXNPFEDSA-N 0 3 322.408 3.022 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038409724 657199555 /nfs/dbraw/zinc/19/95/55/657199555.db2.gz HUUJYAQKPZHREP-IEBWSBKVSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001046662067 657200062 /nfs/dbraw/zinc/20/00/62/657200062.db2.gz CYPSLKUSNDAXFO-LJQANCHMSA-N 0 3 316.445 3.103 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3cccnc3c2)C1 ZINC001046707204 657207442 /nfs/dbraw/zinc/20/74/42/657207442.db2.gz SCGPUHMZEBBNAY-IBGZPJMESA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cc(C(C)C)oc2C)CC1 ZINC001001333698 657208094 /nfs/dbraw/zinc/20/80/94/657208094.db2.gz ZUEXOMFTQXLTEP-UHFFFAOYSA-N 0 3 302.418 3.259 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC001001359870 657210088 /nfs/dbraw/zinc/21/00/88/657210088.db2.gz MXIJZXKKEIUDTJ-UHFFFAOYSA-N 0 3 322.408 3.495 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC001001404412 657216316 /nfs/dbraw/zinc/21/63/16/657216316.db2.gz MUCXKTBDUOJMCZ-UHFFFAOYSA-N 0 3 322.811 3.335 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cccc3ccccc32)CC1 ZINC001001419646 657216934 /nfs/dbraw/zinc/21/69/34/657216934.db2.gz XNDNLILDKHMROW-UHFFFAOYSA-N 0 3 306.409 3.388 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001028929358 657223209 /nfs/dbraw/zinc/22/32/09/657223209.db2.gz CAYMDGIFWZKYFN-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccsc2C(F)F)C1 ZINC001046805430 657223989 /nfs/dbraw/zinc/22/39/89/657223989.db2.gz KDMLUDORKLMIBK-OAHLLOKOSA-N 0 3 314.401 3.456 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001028935107 657226456 /nfs/dbraw/zinc/22/64/56/657226456.db2.gz VMJSKOFVTPCUQK-INIZCTEOSA-N 0 3 324.424 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001046818325 657228481 /nfs/dbraw/zinc/22/84/81/657228481.db2.gz RHEMDDOPNFTTBN-MRXNPFEDSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001001614181 657233893 /nfs/dbraw/zinc/23/38/93/657233893.db2.gz UOHSVPZCWLRSRI-MSOLQXFVSA-N 0 3 316.489 3.076 20 30 DGEDHN C=CCCN1CC[C@](C)(NC(=O)c2cc(C3CCCC3)no2)C1 ZINC001046844676 657235040 /nfs/dbraw/zinc/23/50/40/657235040.db2.gz DTVGKPADOBNOFN-SFHVURJKSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001046858616 657237863 /nfs/dbraw/zinc/23/78/63/657237863.db2.gz SXKYLYZIPMVKSA-QUCCMNQESA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001046864160 657239063 /nfs/dbraw/zinc/23/90/63/657239063.db2.gz PLRMIOMTPXVIRI-VIQWUECVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001046870227 657241757 /nfs/dbraw/zinc/24/17/57/657241757.db2.gz 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/nfs/dbraw/zinc/05/85/44/658058544.db2.gz RRHCJGDJCMKULD-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001014948787 658069712 /nfs/dbraw/zinc/06/97/12/658069712.db2.gz VAEGJLIURHTCKR-MJBXVCDLSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3sccc3s2)C1 ZINC001014952740 658071724 /nfs/dbraw/zinc/07/17/24/658071724.db2.gz JBPXUFRPBXCNCC-LLVKDONJSA-N 0 3 306.456 3.343 20 30 DGEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001015372818 658115223 /nfs/dbraw/zinc/11/52/23/658115223.db2.gz MAUWLABKYRVXPD-GFCCVEGCSA-N 0 3 310.800 3.168 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)C[C@@H]1C ZINC000947828748 658162670 /nfs/dbraw/zinc/16/26/70/658162670.db2.gz HMEOFFZXGKREIZ-ZFWWWQNUSA-N 0 3 306.837 3.417 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN([C@H]3CCc4ccccc43)C2)C1 ZINC001015677530 658165358 /nfs/dbraw/zinc/16/53/58/658165358.db2.gz XEVDFZLFHMWDCY-AEFFLSMTSA-N 0 3 310.441 3.221 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC001015693557 658168335 /nfs/dbraw/zinc/16/83/35/658168335.db2.gz JTCJVXKHEWIGJD-GFCCVEGCSA-N 0 3 304.415 3.265 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001015982169 658214637 /nfs/dbraw/zinc/21/46/37/658214637.db2.gz ATNVBRLXRJEUSV-INIZCTEOSA-N 0 3 309.413 3.062 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001016003468 658216696 /nfs/dbraw/zinc/21/66/96/658216696.db2.gz HVJDJAJGINVLPZ-INIZCTEOSA-N 0 3 312.413 3.430 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016054836 658226224 /nfs/dbraw/zinc/22/62/24/658226224.db2.gz AJJJDGJJHUPPJV-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001016239635 658258948 /nfs/dbraw/zinc/25/89/48/658258948.db2.gz LLSXXOUACMHHIV-CQSZACIVSA-N 0 3 321.490 3.345 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001016229567 658259980 /nfs/dbraw/zinc/25/99/80/658259980.db2.gz NNNDEIUUGMALRO-ZFWWWQNUSA-N 0 3 318.486 3.253 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000964117818 658263973 /nfs/dbraw/zinc/26/39/73/658263973.db2.gz FAACZFLKUPVZOP-HEOJRLSWSA-N 0 3 322.880 3.192 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001016442412 658283295 /nfs/dbraw/zinc/28/32/95/658283295.db2.gz DMUJXELWUVMLCD-LJQANCHMSA-N 0 3 308.425 3.081 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(CCCC)cc2)CC1 ZINC001016719145 658321307 /nfs/dbraw/zinc/32/13/07/658321307.db2.gz LXJPNTDXDWMNEB-LJQANCHMSA-N 0 3 324.468 3.247 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001016914450 658350651 /nfs/dbraw/zinc/35/06/51/658350651.db2.gz NIXUGLKTELMNHW-IBGZPJMESA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccccc2CC(C)C)CC1 ZINC001016994840 658367096 /nfs/dbraw/zinc/36/70/96/658367096.db2.gz WDTDTDHFLVKLRT-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001016993891 658367363 /nfs/dbraw/zinc/36/73/63/658367363.db2.gz PWDLIKOYVPEMOJ-JCYILVPMSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001017001899 658368118 /nfs/dbraw/zinc/36/81/18/658368118.db2.gz IXVCJURTNLFJJP-HNNXBMFYSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CC13CCCC3)C2 ZINC000965732140 658414477 /nfs/dbraw/zinc/41/44/77/658414477.db2.gz NVVOZYDRPWVGQT-LETWWHAPSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001017548531 658437812 /nfs/dbraw/zinc/43/78/12/658437812.db2.gz VVXWCWATUGYUOV-VQHPVUNQSA-N 0 3 308.441 3.156 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(F)c1 ZINC001017717650 658453483 /nfs/dbraw/zinc/45/34/83/658453483.db2.gz PHWQGVHXBIOVIR-CALCHBBNSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001017730979 658456692 /nfs/dbraw/zinc/45/66/92/658456692.db2.gz XTENHRLOYNLEOH-ZCNNSNEGSA-N 0 3 324.468 3.432 20 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/nfs/dbraw/zinc/50/39/36/658503936.db2.gz YWUNDSCRLNVFLO-XMTFNYHQSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000989607164 658527940 /nfs/dbraw/zinc/52/79/40/658527940.db2.gz BSGYVTNPOJEUBJ-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccc(F)c1 ZINC001018285690 658529748 /nfs/dbraw/zinc/52/97/48/658529748.db2.gz NJYGJMZXNUHZIY-OLMNPRSZSA-N 0 3 316.420 3.181 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CCC1CC2 ZINC001018318470 658536212 /nfs/dbraw/zinc/53/62/12/658536212.db2.gz HCWKBNPXOSBPFB-YOHUBWIESA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CF)cc1 ZINC001018324145 658538099 /nfs/dbraw/zinc/53/80/99/658538099.db2.gz TXSWRVCDSWWRTN-HDICACEKSA-N 0 3 316.420 3.411 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC[C@H]1C ZINC001018334209 658539497 /nfs/dbraw/zinc/53/94/97/658539497.db2.gz MBUOCRGWAUHUQO-TVFCKZIOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cc(C3CCCC3)no2)CC1 ZINC000989694322 658543504 /nfs/dbraw/zinc/54/35/04/658543504.db2.gz GNSPJBOMYRMHLB-UHFFFAOYSA-N 0 3 317.433 3.056 20 30 DGEDHN C=CCCN1CCCN(C(=O)C23CC(c4ccccc4)(C2)C3)CC1 ZINC000989757024 658564145 /nfs/dbraw/zinc/56/41/45/658564145.db2.gz HGSVZXHOTWXTJK-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN C[C@H](N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1ccccc1Cl ZINC001018818163 658593256 /nfs/dbraw/zinc/59/32/56/658593256.db2.gz BZXBDYSCXUTDBP-ZFWWWQNUSA-N 0 3 316.832 3.005 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)CC[C@@H]2C)cc1 ZINC000967675020 658617789 /nfs/dbraw/zinc/61/77/89/658617789.db2.gz DAUOMFVZLCQIJM-QFBILLFUSA-N 0 3 310.441 3.074 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2sc(C)nc2C)C1 ZINC001019332817 658634053 /nfs/dbraw/zinc/63/40/53/658634053.db2.gz ZQDTVABEAZZFDC-YOEHRIQHSA-N 0 3 321.490 3.053 20 30 DGEDHN Cc1cccc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000127900074 658660079 /nfs/dbraw/zinc/66/00/79/658660079.db2.gz GVLIQPYBWIAXEC-RHSMWYFYSA-N 0 3 322.364 3.110 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968345154 658703985 /nfs/dbraw/zinc/70/39/85/658703985.db2.gz IKBJPCSQHZYJCB-RDTXWAMCSA-N 0 3 311.429 3.184 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001020188907 658713551 /nfs/dbraw/zinc/71/35/51/658713551.db2.gz FCMGCYFOGOLKEH-MGCOHNPYSA-N 0 3 319.257 3.313 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001020375210 658726538 /nfs/dbraw/zinc/72/65/38/658726538.db2.gz YXJZCSSNLZGEBH-TUVASFSCSA-N 0 3 310.869 3.214 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@H]3CC=CCC3)C2)C1 ZINC001040332450 658750989 /nfs/dbraw/zinc/75/09/89/658750989.db2.gz QNOFEBRJXWZNEH-AZUAARDMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001038454193 658754839 /nfs/dbraw/zinc/75/48/39/658754839.db2.gz LNQJFUSJQLGBJA-INIZCTEOSA-N 0 3 304.409 3.158 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001038548908 658763495 /nfs/dbraw/zinc/76/34/95/658763495.db2.gz PMUJUIFNVHWEGO-CMKODMSKSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038566148 658764521 /nfs/dbraw/zinc/76/45/21/658764521.db2.gz LHMBDUZOXUAMLT-INIZCTEOSA-N 0 3 315.461 3.284 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038566149 658765343 /nfs/dbraw/zinc/76/53/43/658765343.db2.gz LHMBDUZOXUAMLT-MRXNPFEDSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4occc4c3)CCC[C@@H]12 ZINC000990848957 658768053 /nfs/dbraw/zinc/76/80/53/658768053.db2.gz KKCSWNRKZLGFFE-IEBWSBKVSA-N 0 3 310.397 3.346 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3csc(C)c3C)CCC[C@@H]12 ZINC000990873249 658774278 /nfs/dbraw/zinc/77/42/78/658774278.db2.gz UJXSDLVOGMGLCH-WBVHZDCISA-N 0 3 304.459 3.278 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001038740673 658792463 /nfs/dbraw/zinc/79/24/63/658792463.db2.gz SONUKDSQNMYIBN-BRWVUGGUSA-N 0 3 304.478 3.360 20 30 DGEDHN 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/nfs/dbraw/zinc/08/97/24/660089724.db2.gz ZBVVQRYYTMEDOO-CYBMUJFWSA-N 0 3 321.490 3.283 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C(C)(C)C1 ZINC000941192174 660093399 /nfs/dbraw/zinc/09/33/99/660093399.db2.gz YTKNFMWSTROIHG-INIZCTEOSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000941243287 660097206 /nfs/dbraw/zinc/09/72/06/660097206.db2.gz SPLNXLBJNGHIDR-UYSNPLJNSA-N 0 3 306.494 3.461 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)C(C)(C)C1 ZINC000941237594 660098743 /nfs/dbraw/zinc/09/87/43/660098743.db2.gz PQFDABXPYMFFGB-IRXDYDNUSA-N 0 3 317.477 3.069 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)C(C)(C)C1 ZINC000941253001 660098960 /nfs/dbraw/zinc/09/89/60/660098960.db2.gz QHJALJDFVCIXRT-KRWDZBQOSA-N 0 3 312.413 3.449 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3occc3c2)C[C@@H]1C ZINC000947327996 660101335 /nfs/dbraw/zinc/10/13/35/660101335.db2.gz MBUFTZFARDKDNH-YOEHRIQHSA-N 0 3 310.397 3.039 20 30 DGEDHN C=C1CCC(C(=O)NCC2CN([C@H]3CCc4ccccc43)C2)CC1 ZINC001031951319 660104772 /nfs/dbraw/zinc/10/47/72/660104772.db2.gz FOZQYHMSNKXSRS-FQEVSTJZSA-N 0 3 324.468 3.468 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2scc(C)c2Cl)[C@@H](C)C1 ZINC000942079803 660135990 /nfs/dbraw/zinc/13/59/90/660135990.db2.gz QKWZLWBAFALOFG-AAEUAGOBSA-N 0 3 324.877 3.173 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)[C@H](C)C1 ZINC000942108418 660137419 /nfs/dbraw/zinc/13/74/19/660137419.db2.gz GJTBWTSJZOCPNJ-UZLBHIALSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000942148159 660140568 /nfs/dbraw/zinc/14/05/68/660140568.db2.gz QDQUXJKLHLFFPS-QWHCGFSZSA-N 0 3 321.490 3.067 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)(C)C)[C@H](C)C1 ZINC000942154930 660140927 /nfs/dbraw/zinc/14/09/27/660140927.db2.gz CRZJJRJNRKHXDU-CRAIPNDOSA-N 0 3 312.457 3.058 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000942180221 660142659 /nfs/dbraw/zinc/14/26/59/660142659.db2.gz FLMSNCLSELYYST-DOTOQJQBSA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CCCC3)cc2)[C@H](C)C1 ZINC000942517733 660153851 /nfs/dbraw/zinc/15/38/51/660153851.db2.gz FLNHZCAMFYVKHB-UZLBHIALSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c3cccnc23)[C@H](C)C1 ZINC000942522560 660154776 /nfs/dbraw/zinc/15/47/76/660154776.db2.gz CYGNMOIQHNQPQR-CRAIPNDOSA-N 0 3 323.440 3.169 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](C)C1 ZINC000942580367 660160641 /nfs/dbraw/zinc/16/06/41/660160641.db2.gz YIWUPEKKDLVQLY-YJBOKZPZSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H](C)C1 ZINC000942959044 660174145 /nfs/dbraw/zinc/17/41/45/660174145.db2.gz JGZPFRLCBDBNJY-ABAIWWIYSA-N 0 3 310.800 3.105 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000943287092 660183311 /nfs/dbraw/zinc/18/33/11/660183311.db2.gz IAZOKBWCUBUIIP-DOMZBBRYSA-N 0 3 316.376 3.198 20 30 DGEDHN CCCC(=O)NC1CCN(Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929268097 661292915 /nfs/dbraw/zinc/29/29/15/661292915.db2.gz AJFUQOKQLJLPCR-UHFFFAOYSA-N 0 3 313.445 3.056 20 30 DGEDHN COc1ccc([C@@H](CO)N(C)Cc2c(C)cc(C#N)cc2C)cc1 ZINC000929640090 661323481 /nfs/dbraw/zinc/32/34/81/661323481.db2.gz VGMIZKKPWLUGQM-HXUWFJFHSA-N 0 3 324.424 3.349 20 30 DGEDHN N#CC1(c2ccccn2)CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000930332497 661390029 /nfs/dbraw/zinc/39/00/29/661390029.db2.gz HBAHZMYAOVUKDM-QDMKHBRRSA-N 0 3 317.383 3.230 20 30 DGEDHN COC/C(C)=C\CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000930465760 661401321 /nfs/dbraw/zinc/40/13/21/661401321.db2.gz DDXFVWOCIHJFMD-RZNTYIFUSA-N 0 3 318.392 3.133 20 30 DGEDHN N#Cc1cncc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC000930814933 661431822 /nfs/dbraw/zinc/43/18/22/661431822.db2.gz ZFWLYBBOPKWFTE-FQEVSTJZSA-N 0 3 321.424 3.116 20 30 DGEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCCC2(CCC2)O1 ZINC000930844946 661434155 /nfs/dbraw/zinc/43/41/55/661434155.db2.gz INYFQHSWJHYBSU-MSOLQXFVSA-N 0 3 314.429 3.015 20 30 DGEDHN CC[C@](O)(CNC(C)(C)c1cccc(C#N)c1)C(F)(F)F ZINC000930931123 661440071 /nfs/dbraw/zinc/44/00/71/661440071.db2.gz RVIPFPBEMKFKLG-AWEZNQCLSA-N 0 3 300.324 3.086 20 30 DGEDHN CC[C@@](O)(CNC(C)(C)c1cccc(C#N)c1)C(F)(F)F ZINC000930931124 661440261 /nfs/dbraw/zinc/44/02/61/661440261.db2.gz RVIPFPBEMKFKLG-CQSZACIVSA-N 0 3 300.324 3.086 20 30 DGEDHN N#CCc1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC000931490700 661482214 /nfs/dbraw/zinc/48/22/14/661482214.db2.gz GVZPKDGRCDTWSX-SFTDATJTSA-N 0 3 317.436 3.211 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)F)c(F)c2)CC1 ZINC000932143742 661541969 /nfs/dbraw/zinc/54/19/69/661541969.db2.gz HZQMXLKMSUZVPB-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C#CCN(CCc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000932390877 661565349 /nfs/dbraw/zinc/56/53/49/661565349.db2.gz RHXRJIOJKGBWRA-UHFFFAOYSA-N 0 3 303.793 3.276 20 30 DGEDHN Cc1ccc(C#N)cc1C(=O)N(CCN(C)C)C1CCCCC1 ZINC000932532101 661576272 /nfs/dbraw/zinc/57/62/72/661576272.db2.gz DURLBYGUNHIOOF-UHFFFAOYSA-N 0 3 313.445 3.203 20 30 DGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cc(Cl)cc2c1OCC2 ZINC000933271719 661627452 /nfs/dbraw/zinc/62/74/52/661627452.db2.gz XZCAIRBGZBVENW-SMDDNHRTSA-N 0 3 322.836 3.226 20 30 DGEDHN C#CCN(C[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCCc2ccccc21 ZINC000933417597 661633125 /nfs/dbraw/zinc/63/31/25/661633125.db2.gz GFKFHKDMFMVTIY-WMZOPIPTSA-N 0 3 309.409 3.095 20 30 DGEDHN Cc1noc(C[C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000933577633 661642524 /nfs/dbraw/zinc/64/25/24/661642524.db2.gz YNWIUCYCRMPDOM-BBRMVZONSA-N 0 3 310.401 3.265 20 30 DGEDHN Cc1noc(C[C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000933577635 661642529 /nfs/dbraw/zinc/64/25/29/661642529.db2.gz YNWIUCYCRMPDOM-CZUORRHYSA-N 0 3 310.401 3.265 20 30 DGEDHN N#Cc1ccc(C2CCN(CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000933608433 661644492 /nfs/dbraw/zinc/64/44/92/661644492.db2.gz ZTMIEWGBTHDCRG-MRXNPFEDSA-N 0 3 306.356 3.162 20 30 DGEDHN CC(C)(C#N)CCN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715343 661653133 /nfs/dbraw/zinc/65/31/33/661653133.db2.gz LIBIJIAZIBEIJN-NSHDSACASA-N 0 3 312.339 3.225 20 30 DGEDHN CCC[C@@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000934184945 661685198 /nfs/dbraw/zinc/68/51/98/661685198.db2.gz VPRSCNSVENVBFN-RTBURBONSA-N 0 3 313.445 3.100 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCOC23CCCC3)c(OC(F)F)c1 ZINC000934393870 661704244 /nfs/dbraw/zinc/70/42/44/661704244.db2.gz CGANXAPAXPCUDZ-OAHLLOKOSA-N 0 3 322.355 3.351 20 30 DGEDHN C[C@@H](NCCOc1ccccc1C#N)c1cnn(CC2CCC2)c1 ZINC000934555626 661714903 /nfs/dbraw/zinc/71/49/03/661714903.db2.gz MXMWCOYHGBVKFO-OAHLLOKOSA-N 0 3 324.428 3.284 20 30 DGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cnn(CC2CCC2)c1 ZINC000934557577 661715171 /nfs/dbraw/zinc/71/51/71/661715171.db2.gz XCKFPCAMZGYGGF-HNNXBMFYSA-N 0 3 324.428 3.284 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cc(C)ccc3n2)C[C@@H]1C ZINC000947529111 661914813 /nfs/dbraw/zinc/91/48/13/661914813.db2.gz QETJKJPAAZBYTG-DOTOQJQBSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3ccsc3c2)C[C@H]1C ZINC000947622008 661921115 /nfs/dbraw/zinc/92/11/15/661921115.db2.gz ZRAMYVMHDFUXMK-TZMCWYRMSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000947745082 661928749 /nfs/dbraw/zinc/92/87/49/661928749.db2.gz CCDZXKVBJCSMIC-XHDPSFHLSA-N 0 3 310.800 3.248 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)C[C@H]1C ZINC000947751000 661929173 /nfs/dbraw/zinc/92/91/73/661929173.db2.gz SZMJTBGMVULOJO-OCCSQVGLSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(CC)CC)no2)C[C@@H]1C ZINC000947778720 661931352 /nfs/dbraw/zinc/93/13/52/661931352.db2.gz IRSGPKSUTVJZPV-DZGCQCFKSA-N 0 3 319.449 3.347 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccsc2Cl)C[C@H]1C ZINC000947779543 661931607 /nfs/dbraw/zinc/93/16/07/661931607.db2.gz QGVRUQVYHORVSC-VXGBXAGGSA-N 0 3 310.850 3.008 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2scnc2C(C)(C)C)C[C@H]1C ZINC000947791314 661932067 /nfs/dbraw/zinc/93/20/67/661932067.db2.gz AZSAIFWISDLZCL-OLZOCXBDSA-N 0 3 321.490 3.209 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C[C@@H]1C ZINC000947929471 661938700 /nfs/dbraw/zinc/93/87/00/661938700.db2.gz LSPJFJGUTGEIAD-GXTWGEPZSA-N 0 3 304.459 3.394 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(C(C)C)nc2C)C[C@H]1C ZINC000948032119 661945405 /nfs/dbraw/zinc/94/54/05/661945405.db2.gz QZRATJMDSPCFFV-OCCSQVGLSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C[C@H]1C ZINC000948104604 661951268 /nfs/dbraw/zinc/95/12/68/661951268.db2.gz NIUMMTDWVDYLNJ-CHWSQXEVSA-N 0 3 307.463 3.035 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076074491 661966886 /nfs/dbraw/zinc/96/68/86/661966886.db2.gz ZHLHCCJYBCUULS-MRXNPFEDSA-N 0 3 318.461 3.417 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076074491 661966887 /nfs/dbraw/zinc/96/68/87/661966887.db2.gz ZHLHCCJYBCUULS-MRXNPFEDSA-N 0 3 318.461 3.417 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000948405550 661973762 /nfs/dbraw/zinc/97/37/62/661973762.db2.gz VJRDKVBIELFTIT-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(CC)s2)CC1 ZINC000948593252 661985136 /nfs/dbraw/zinc/98/51/36/661985136.db2.gz AVVKZYIKTOWYCN-HNNXBMFYSA-N 0 3 318.486 3.260 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000948611979 661986390 /nfs/dbraw/zinc/98/63/90/661986390.db2.gz IOLMMCSRJRITJJ-UXHICEINSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C)ccc2C2CC2)CC1 ZINC000948642082 661988191 /nfs/dbraw/zinc/98/81/91/661988191.db2.gz AEIPEQJEWBJTDF-SFHVURJKSA-N 0 3 324.468 3.432 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(CCC)cc2)CC1 ZINC000948730263 661993443 /nfs/dbraw/zinc/99/34/43/661993443.db2.gz UUYFYIHEXNWTJK-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc(Cl)c2F)CC1 ZINC000948734857 661994215 /nfs/dbraw/zinc/99/42/15/661994215.db2.gz UGZOMQPPMMSKNO-ZDUSSCGKSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(Cl)cc2C)CC1 ZINC000948737186 661994585 /nfs/dbraw/zinc/99/45/85/661994585.db2.gz GWPSIGRORHMNEQ-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000948793007 661998341 /nfs/dbraw/zinc/99/83/41/661998341.db2.gz IUVQJLDPLWXYHT-KZNAEPCWSA-N 0 3 304.478 3.005 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)cc(F)c2)CC1 ZINC000948800449 661998771 /nfs/dbraw/zinc/99/87/71/661998771.db2.gz QCBQZOSCKZLPHK-GOSISDBHSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC000949462268 662016413 /nfs/dbraw/zinc/01/64/13/662016413.db2.gz DGZVEXSSXHIOOL-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN N#CCSCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000193775462 662148471 /nfs/dbraw/zinc/14/84/71/662148471.db2.gz PRBANVOEKIIAJH-SECBINFHSA-N 0 3 321.814 3.383 20 30 DGEDHN C=CCc1cc(C[N@H+](C)Cc2ccccc2[O-])cc(OC)c1O ZINC000091956710 662325056 /nfs/dbraw/zinc/32/50/56/662325056.db2.gz KKLFSHJLFSZUQM-UHFFFAOYSA-N 0 3 313.397 3.467 20 30 DGEDHN C=CCc1cc(C[N@@H+](C)Cc2ccccc2[O-])cc(OC)c1O ZINC000091956710 662325060 /nfs/dbraw/zinc/32/50/60/662325060.db2.gz KKLFSHJLFSZUQM-UHFFFAOYSA-N 0 3 313.397 3.467 20 30 DGEDHN COc1ccc(CN(C)CCOc2ccc(C#N)cc2)cc1F ZINC000247865294 662329221 /nfs/dbraw/zinc/32/92/21/662329221.db2.gz ASBHUAJMAMHQAP-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN CCOC(=O)C[C@@H](C)C/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000760229654 685282412 /nfs/dbraw/zinc/28/24/12/685282412.db2.gz SNICMOKQVROAOV-RMENWYJGSA-N 0 3 320.433 3.247 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)c3ccc(C)s3)C2)C1 ZINC000982114846 685343138 /nfs/dbraw/zinc/34/31/38/685343138.db2.gz HADOGABHQAORLD-HNNXBMFYSA-N 0 3 318.486 3.270 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2nccs2)c([O-])c1 ZINC000064853190 685053001 /nfs/dbraw/zinc/05/30/01/685053001.db2.gz HTRDDINUBJABAY-SFQUDFHCSA-N 0 3 303.431 3.357 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000142722218 685082058 /nfs/dbraw/zinc/08/20/58/685082058.db2.gz NCDBACJNBPEHGL-CQSZACIVSA-N 0 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C=CCN1C[C@H](NC(=O)Cc2cc(C)ccc2C)CC[C@H]1C ZINC001071795733 686757000 /nfs/dbraw/zinc/75/70/00/686757000.db2.gz MOLBEIXIOKGDLP-SJLPKXTDSA-N 0 3 300.446 3.001 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(Cl)c2F)CC[C@H]1C ZINC001071839829 686767472 /nfs/dbraw/zinc/76/74/72/686767472.db2.gz HSNJAQNPMPFSPM-TZMCWYRMSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)CC[C@@H]1C ZINC001071844579 686769837 /nfs/dbraw/zinc/76/98/37/686769837.db2.gz PFWUZVYSRAVNQY-GXTWGEPZSA-N 0 3 324.827 3.177 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)CC[C@H]1C ZINC001071847186 686771037 /nfs/dbraw/zinc/77/10/37/686771037.db2.gz ITYAFIGBOITLFA-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3cc[nH]c3c2)CC[C@H]1C ZINC001071852272 686772645 /nfs/dbraw/zinc/77/26/45/686772645.db2.gz XXGDHUYEEKPGLZ-RHSMWYFYSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccsc2C)CC[C@@H]1C ZINC001071871231 686777175 /nfs/dbraw/zinc/77/71/75/686777175.db2.gz 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C=CCN1CCC2(CN(C(=O)C[C@H]3CCCc4ccccc43)C2)C1 ZINC001073139023 687017601 /nfs/dbraw/zinc/01/76/01/687017601.db2.gz OCEGKHWFKDWKQE-GOSISDBHSA-N 0 3 324.468 3.217 20 30 DGEDHN Cc1cc(CN(C)C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001073973727 687244248 /nfs/dbraw/zinc/24/42/48/687244248.db2.gz GCVQJTHWNLQKGJ-XJKSGUPXSA-N 0 3 319.474 3.029 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001075822141 687446196 /nfs/dbraw/zinc/44/61/96/687446196.db2.gz BBUGXCCZOMQTIP-DLBZAZTESA-N 0 3 310.397 3.155 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC=CCCC3)[C@@H]2C1 ZINC001075938928 687456618 /nfs/dbraw/zinc/45/66/18/687456618.db2.gz PMSFLWLPOBZWEL-FGTMMUONSA-N 0 3 302.462 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(CCCC)cc3)[C@@H]2C1 ZINC001076011686 687466434 /nfs/dbraw/zinc/46/64/34/687466434.db2.gz WYVBZCSXWOWGOU-RBUKOAKNSA-N 0 3 312.457 3.362 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)[C@@H]2C1 ZINC001076287181 687503102 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C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)c4c3CCC4)[C@@H]2C1 ZINC001076615232 687544318 /nfs/dbraw/zinc/54/43/18/687544318.db2.gz OVJYTILAPXWSJQ-OXJNMPFZSA-N 0 3 324.468 3.206 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cscc2C)C12CCC2 ZINC001078587259 687686105 /nfs/dbraw/zinc/68/61/05/687686105.db2.gz WFHZCKYMELUTCX-UONOGXRCSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC(C)(C)C2)C12CCC2 ZINC001078617240 687689904 /nfs/dbraw/zinc/68/99/04/687689904.db2.gz JGLWQBFJUMSOMC-KBPBESRZSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001080082954 687918549 /nfs/dbraw/zinc/91/85/49/687918549.db2.gz NZCIWHDFDMCIAG-SJLPKXTDSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001080371028 687964288 /nfs/dbraw/zinc/96/42/88/687964288.db2.gz UVPNVXRFQCBWRW-BXUZGUMPSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001080384807 687967391 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C#CCN[C@@H]1CN(C(=O)C2(CC)CCCC2)C[C@H]1c1ccccc1 ZINC001081206590 688059290 /nfs/dbraw/zinc/05/92/90/688059290.db2.gz UZMHQXBDIPGCHU-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CCCCCCC2)[C@H](OC)C1 ZINC001081930628 688074975 /nfs/dbraw/zinc/07/49/75/688074975.db2.gz UCTGFPASPRATPQ-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1C[C@@H](C)OC2(CCC2)C1 ZINC001577426294 1191900900 /nfs/dbraw/zinc/90/09/00/1191900900.db2.gz KUPDMOJIVVNHAE-HZPDHXFCSA-N 0 3 310.482 3.234 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC001577429927 1191901577 /nfs/dbraw/zinc/90/15/77/1191901577.db2.gz CBGZSXNJTDBJOK-HOTGVXAUSA-N 0 3 310.482 3.282 20 30 DGEDHN Cc1ccc(Cl)c2c1CCCN2C(=O)[C@@H](N)CCCCC#N ZINC001579703339 1191987584 /nfs/dbraw/zinc/98/75/84/1191987584.db2.gz KGDCPSYNJIJNRF-HNNXBMFYSA-N 0 3 319.836 3.339 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001580048945 1192004573 /nfs/dbraw/zinc/00/45/73/1192004573.db2.gz BFZVTAHCFKTYTH-NSHDSACASA-N 0 3 317.336 3.258 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001661066879 1196561246 /nfs/dbraw/zinc/56/12/46/1196561246.db2.gz QXSFQJPUPPXNPX-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2ccncc2Cl)C1 ZINC001662974945 1196778886 /nfs/dbraw/zinc/77/88/86/1196778886.db2.gz SOQBOHKTAXCHKE-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CC(C)(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588488257 1192448344 /nfs/dbraw/zinc/44/83/44/1192448344.db2.gz YVJFKILXABOQLE-UHFFFAOYSA-N 0 3 303.385 3.088 20 30 DGEDHN C=CC(C)(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588488257 1192448349 /nfs/dbraw/zinc/44/83/49/1192448349.db2.gz YVJFKILXABOQLE-UHFFFAOYSA-N 0 3 303.385 3.088 20 30 DGEDHN C=CCC[C@H]([NH2+]Cc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588580000 1192450980 /nfs/dbraw/zinc/45/09/80/1192450980.db2.gz WYJJKPCHPLVROG-KRWDZBQOSA-N 0 3 320.400 3.059 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)c(F)c1F)C1CC1 ZINC001663756740 1196940017 /nfs/dbraw/zinc/94/00/17/1196940017.db2.gz JONVLZHCBCKYGV-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN CC(C)(CC#N)C[NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589266956 1192462173 /nfs/dbraw/zinc/46/21/73/1192462173.db2.gz DMFRIZIAFQWOLY-INIZCTEOSA-N 0 3 324.432 3.164 20 30 DGEDHN CC(C)(CC#N)C[NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589266956 1192462174 /nfs/dbraw/zinc/46/21/74/1192462174.db2.gz DMFRIZIAFQWOLY-INIZCTEOSA-N 0 3 324.432 3.164 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001772512205 1176048486 /nfs/dbraw/zinc/04/84/86/1176048486.db2.gz YWZXBEOXEXTETI-RBUKOAKNSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001691975922 1176078234 /nfs/dbraw/zinc/07/82/34/1176078234.db2.gz LSULCJKAXFVSSS-UONOGXRCSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1cc(C)ns1)C1CC1 ZINC001670527537 1176161542 /nfs/dbraw/zinc/16/15/42/1176161542.db2.gz ISXLVJSZBRBLSJ-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(F)cc2ccoc21)C1CC1 ZINC001266600001 1176179324 /nfs/dbraw/zinc/17/93/24/1176179324.db2.gz FQOXVCJARWOURH-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001670682770 1176216085 /nfs/dbraw/zinc/21/60/85/1176216085.db2.gz VSDPVEYWGVKMRB-MJGOQNOKSA-N 0 3 314.473 3.487 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001670712566 1176228677 /nfs/dbraw/zinc/22/86/77/1176228677.db2.gz BJEPXWPTDBFYKU-WBVHZDCISA-N 0 3 317.477 3.372 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(CC(C)C)c[nH]1 ZINC001691068234 1176292074 /nfs/dbraw/zinc/29/20/74/1176292074.db2.gz KAYJPRDOONDXID-QGZVFWFLSA-N 0 3 317.477 3.326 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001691092830 1176306434 /nfs/dbraw/zinc/30/64/34/1176306434.db2.gz ZABZLCIXYVVIRZ-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN1Cc1cccc(OC)c1 ZINC001691094591 1176307889 /nfs/dbraw/zinc/30/78/89/1176307889.db2.gz IAMOGYADAUXERU-QGZVFWFLSA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001691098098 1176308868 /nfs/dbraw/zinc/30/88/68/1176308868.db2.gz ZBAFEGRHSLVRNW-IRXDYDNUSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](CC)CC(F)(F)F ZINC001691106133 1176317390 /nfs/dbraw/zinc/31/73/90/1176317390.db2.gz RDASAHWPCJQJDP-QWHCGFSZSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccccc1C)c1ccccc1 ZINC001691772603 1176376649 /nfs/dbraw/zinc/37/66/49/1176376649.db2.gz NFBPQTGEYVUOAA-IBGZPJMESA-N 0 3 306.409 3.079 20 30 DGEDHN C=CCN[C@H](CNC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC001691778760 1176401132 /nfs/dbraw/zinc/40/11/32/1176401132.db2.gz YZGOOECQLJFKHF-MRXNPFEDSA-N 0 3 302.393 3.417 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](C)c1cc2ccccc2o1)C1CC1 ZINC001691233056 1176405658 /nfs/dbraw/zinc/40/56/58/1176405658.db2.gz WNIGYIRUKRLZRF-AWEZNQCLSA-N 0 3 312.413 3.303 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCCCC)C2)CC1 ZINC001691275043 1176419692 /nfs/dbraw/zinc/41/96/92/1176419692.db2.gz KGRFPZJOIYPRGT-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001691399300 1176465500 /nfs/dbraw/zinc/46/55/00/1176465500.db2.gz UGKNKYKDNDAHCO-KRWDZBQOSA-N 0 3 319.493 3.450 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1[nH]c(C)nc1C ZINC001691402562 1176468573 /nfs/dbraw/zinc/46/85/73/1176468573.db2.gz NGOSGLMGSJPKKR-INIZCTEOSA-N 0 3 320.481 3.143 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001691417034 1176477503 /nfs/dbraw/zinc/47/75/03/1176477503.db2.gz SSARLOOZKHMWNE-DOMZBBRYSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001725240862 1176587489 /nfs/dbraw/zinc/58/74/89/1176587489.db2.gz MVBCRVYCKHLQGK-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001752124345 1176669173 /nfs/dbraw/zinc/66/91/73/1176669173.db2.gz JWADFNJAOGKQTQ-INIZCTEOSA-N 0 3 300.446 3.275 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC001598188442 1192765598 /nfs/dbraw/zinc/76/55/98/1192765598.db2.gz GTKDRXRXUYKBIZ-CABCVRRESA-N 0 3 300.512 3.241 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CC1(F)F)c1ccc(C(C)C)cc1 ZINC001691766869 1176841009 /nfs/dbraw/zinc/84/10/09/1176841009.db2.gz FTLBGBCGSGUYAP-HOTGVXAUSA-N 0 3 322.399 3.398 20 30 DGEDHN N#CCc1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001620984906 1192776881 /nfs/dbraw/zinc/77/68/81/1192776881.db2.gz KSPKUSVIKYYXHV-UHFFFAOYSA-N 0 3 316.307 3.364 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCN1C(C)(C)C ZINC001621003357 1192779580 /nfs/dbraw/zinc/77/95/80/1192779580.db2.gz GGVNPVZKRPJUNE-AWEZNQCLSA-N 0 3 320.864 3.314 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]2CN(CC#CC)CC[C@@H]21 ZINC001752704896 1177031570 /nfs/dbraw/zinc/03/15/70/1177031570.db2.gz HOAPXXFNSVRYRB-MOPGFXCFSA-N 0 3 314.473 3.091 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccco1 ZINC001752824087 1177210735 /nfs/dbraw/zinc/21/07/35/1177210735.db2.gz PETXZDMHTNEKRQ-HZPDHXFCSA-N 0 3 304.434 3.320 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001732437263 1177228457 /nfs/dbraw/zinc/22/84/57/1177228457.db2.gz QBSKIHITBDMFGA-SMDDNHRTSA-N 0 3 307.265 3.344 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC2CC2)C1 ZINC001691551397 1177309769 /nfs/dbraw/zinc/30/97/69/1177309769.db2.gz UUDFPIOUFDFPKX-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCc2ccccn2)C1 ZINC001691628767 1177353327 /nfs/dbraw/zinc/35/33/27/1177353327.db2.gz BUMMRHLQIQEEKW-GOSISDBHSA-N 0 3 315.461 3.299 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2scnc2C)CCCC1 ZINC001691638345 1177406142 /nfs/dbraw/zinc/40/61/42/1177406142.db2.gz INLVQECKLGZBRK-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC001691642003 1177425093 /nfs/dbraw/zinc/42/50/93/1177425093.db2.gz XSFPKIDIUISFPX-KGLIPLIRSA-N 0 3 324.494 3.010 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001671006429 1177568346 /nfs/dbraw/zinc/56/83/46/1177568346.db2.gz FUEWKOOCUWWJDH-KURKYZTESA-N 0 3 322.493 3.079 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001671039099 1177578056 /nfs/dbraw/zinc/57/80/56/1177578056.db2.gz KLHRSLDYBMYOAA-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001691669954 1177628824 /nfs/dbraw/zinc/62/88/24/1177628824.db2.gz DZUSMUKPAVKFQE-GJZGRUSLSA-N 0 3 319.449 3.128 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1c(F)cccc1Cl ZINC001691675002 1177674390 /nfs/dbraw/zinc/67/43/90/1177674390.db2.gz QOTKKBCSXFQOFK-CYBMUJFWSA-N 0 3 324.827 3.130 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H](C)CC(C)C)C2)CC1 ZINC001691691084 1177689559 /nfs/dbraw/zinc/68/95/59/1177689559.db2.gz XRAKAOASZQORGI-MSOLQXFVSA-N 0 3 318.505 3.395 20 30 DGEDHN CCCCCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178117050 1177793031 /nfs/dbraw/zinc/79/30/31/1177793031.db2.gz WTSPRTCNDXXRBN-HKUYNNGSSA-N 0 3 312.457 3.197 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)CCCC)C[C@H](C)O2 ZINC001111541867 1177907031 /nfs/dbraw/zinc/90/70/31/1177907031.db2.gz FHSFCKOQLSWXMR-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001274622975 1177919273 /nfs/dbraw/zinc/91/92/73/1177919273.db2.gz HZWPDNSUGIUOTG-WMZOPIPTSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCCNCc2cnc(C)o2)CC1 ZINC001330909604 1178089202 /nfs/dbraw/zinc/08/92/02/1178089202.db2.gz HFRURJXCOKVDOC-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN CCC(=O)N1CCC(N(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC001330992368 1178107475 /nfs/dbraw/zinc/10/74/75/1178107475.db2.gz ZEQJNHIRKGUFNT-UHFFFAOYSA-N 0 3 318.848 3.024 20 30 DGEDHN C[C@@H](CN(C)C(=O)CC1CCCC1)NCc1ccc(C#N)s1 ZINC001331376506 1178198972 /nfs/dbraw/zinc/19/89/72/1178198972.db2.gz LWJMRNWGGNGVSH-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN CCC(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001331388676 1178201193 /nfs/dbraw/zinc/20/11/93/1178201193.db2.gz NRVXKUAWKVVOGI-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001331406108 1178205832 /nfs/dbraw/zinc/20/58/32/1178205832.db2.gz NKHOVVRTEWFCFV-HOTGVXAUSA-N 0 3 318.436 3.050 20 30 DGEDHN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@H]1C#N ZINC001331803748 1178283764 /nfs/dbraw/zinc/28/37/64/1178283764.db2.gz WBBZYUPQMLQEQP-HRCADAONSA-N 0 3 321.465 3.258 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@H]1C ZINC001331974652 1178324780 /nfs/dbraw/zinc/32/47/80/1178324780.db2.gz FNOAIOJEUQUSJY-ZBFHGGJFSA-N 0 3 318.848 3.223 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(F)c(C)cc1F)C(C)C ZINC001332710054 1178479337 /nfs/dbraw/zinc/47/93/37/1178479337.db2.gz APOGHDJNNCPIMZ-UHFFFAOYSA-N 0 3 322.399 3.079 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC001332735369 1178486798 /nfs/dbraw/zinc/48/67/98/1178486798.db2.gz MSTXNPGSSPGKBW-QZTJIDSGSA-N 0 3 324.509 3.183 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC001332735371 1178487356 /nfs/dbraw/zinc/48/73/56/1178487356.db2.gz MSTXNPGSSPGKBW-ZWKOTPCHSA-N 0 3 324.509 3.183 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1CCC(C2CC2)CC1)C(C)C ZINC001332740403 1178488964 /nfs/dbraw/zinc/48/89/64/1178488964.db2.gz JFFPPWYHVLRRCA-UHFFFAOYSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)Cc1ccccc1)C(C)C ZINC001332741558 1178489687 /nfs/dbraw/zinc/48/96/87/1178489687.db2.gz ZRFSINUKDHJCKP-SFHVURJKSA-N 0 3 314.473 3.057 20 30 DGEDHN CC(C)(C)[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CC1 ZINC001332808031 1178501992 /nfs/dbraw/zinc/50/19/92/1178501992.db2.gz LOSUBLACLLQFHW-CQSZACIVSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(CC)CCCC2)CC1 ZINC001332960654 1178529246 /nfs/dbraw/zinc/52/92/46/1178529246.db2.gz XKGLXPPPEBOAOS-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@H](CC)C(C)(C)C)CC2)CC1 ZINC001333179390 1178567935 /nfs/dbraw/zinc/56/79/35/1178567935.db2.gz HDFKHFPQZSNYAG-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN Cc1ccc([C@@H]2CCN(C(=O)[C@@H](N)CCCC#N)C2(C)C)cc1 ZINC001333677580 1178651375 /nfs/dbraw/zinc/65/13/75/1178651375.db2.gz MORRAXVMGBKKNS-IRXDYDNUSA-N 0 3 313.445 3.111 20 30 DGEDHN N#Cc1ccc(N[C@@H]2CCCN(CCCC(F)(F)F)C2)nc1 ZINC001333867371 1178687243 /nfs/dbraw/zinc/68/72/43/1178687243.db2.gz NMIZPBRXZJXLDS-CYBMUJFWSA-N 0 3 312.339 3.172 20 30 DGEDHN N#Cc1cncc(CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC001334749310 1178789624 /nfs/dbraw/zinc/78/96/24/1178789624.db2.gz ZUNRGCJSISQKAI-FQEVSTJZSA-N 0 3 320.440 3.270 20 30 DGEDHN N#CC1(c2ccccc2)CC(N[C@H]2c3ccccc3CC[C@H]2O)C1 ZINC001335222136 1178872802 /nfs/dbraw/zinc/87/28/02/1178872802.db2.gz MBHJPCOSIVEJTO-FPGXKEGCSA-N 0 3 318.420 3.248 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001341464798 1179011863 /nfs/dbraw/zinc/01/18/63/1179011863.db2.gz GFBGFNUEAUBQPG-CVEARBPZSA-N 0 3 320.864 3.499 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1cnc(C)s1 ZINC001341570185 1179029918 /nfs/dbraw/zinc/02/99/18/1179029918.db2.gz DCSWQTLOFSWGQH-HNNXBMFYSA-N 0 3 311.495 3.488 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC001341860114 1179072552 /nfs/dbraw/zinc/07/25/52/1179072552.db2.gz FOIDKHQVOMVYTC-IKGGRYGDSA-N 0 3 312.498 3.384 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001342163108 1179111236 /nfs/dbraw/zinc/11/12/36/1179111236.db2.gz KUFKLBCXMYQIPG-UONOGXRCSA-N 0 3 310.344 3.095 20 30 DGEDHN N#CC(C(=O)CCC(F)F)c1nccn1Cc1ccccc1 ZINC001342269953 1179125350 /nfs/dbraw/zinc/12/53/50/1179125350.db2.gz XDPFIBRJBJGLAS-CYBMUJFWSA-N 0 3 303.312 3.153 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc2c(o1)CCCC2 ZINC001342717205 1179177842 /nfs/dbraw/zinc/17/78/42/1179177842.db2.gz LKPXGUFBICULKM-AWEZNQCLSA-N 0 3 308.337 3.120 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC001343275901 1179251275 /nfs/dbraw/zinc/25/12/75/1179251275.db2.gz DTRGHTUYVWTEGS-INIZCTEOSA-N 0 3 310.401 3.074 20 30 DGEDHN CO[C@](C)(C(=O)C(C#N)c1cccc(F)n1)c1ccccc1F ZINC001343351325 1179260703 /nfs/dbraw/zinc/26/07/03/1179260703.db2.gz OXDSLRZBAAUJJZ-DIFFPNOSSA-N 0 3 316.307 3.098 20 30 DGEDHN CO[C@@](C)(C(=O)C(C#N)c1cccc(F)n1)c1ccccc1F ZINC001343351332 1179260884 /nfs/dbraw/zinc/26/08/84/1179260884.db2.gz OXDSLRZBAAUJJZ-PIGZYNQJSA-N 0 3 316.307 3.098 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnn(C3CCCCC3)c2)nc(C)n1 ZINC001343442988 1179276780 /nfs/dbraw/zinc/27/67/80/1179276780.db2.gz OSSQMGLHFZHIKY-MRXNPFEDSA-N 0 3 323.400 3.285 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 ZINC001343523587 1179291548 /nfs/dbraw/zinc/29/15/48/1179291548.db2.gz VYUMEJKHONALQK-GJZGRUSLSA-N 0 3 310.825 3.075 20 30 DGEDHN C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C)C2)n1CC(=C)C ZINC001343823436 1179335084 /nfs/dbraw/zinc/33/50/84/1179335084.db2.gz PMIZQYNPJHGDKI-MRXNPFEDSA-N 0 3 317.481 3.066 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC001343843577 1179336718 /nfs/dbraw/zinc/33/67/18/1179336718.db2.gz WUAUJJBNPKTEAJ-MCIGGMRASA-N 0 3 313.323 3.355 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001343842918 1179336942 /nfs/dbraw/zinc/33/69/42/1179336942.db2.gz PZYCUJVDADTRPF-GOSISDBHSA-N 0 3 321.424 3.498 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1C(F)(F)F ZINC001344322023 1179412815 /nfs/dbraw/zinc/41/28/15/1179412815.db2.gz GJZDGQJGEBUTOU-SECBINFHSA-N 0 3 313.304 3.473 20 30 DGEDHN C=C1CCC(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001344889318 1179493374 /nfs/dbraw/zinc/49/33/74/1179493374.db2.gz BUISDUMFHQQHGB-HNNXBMFYSA-N 0 3 321.852 3.296 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCOc1ccccc1 ZINC001345647273 1179586174 /nfs/dbraw/zinc/58/61/74/1179586174.db2.gz UOMYIOJGNFJNNY-GOEBONIOSA-N 0 3 311.385 3.184 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(C)cc1Cl ZINC001346096442 1179652616 /nfs/dbraw/zinc/65/26/16/1179652616.db2.gz QGXJKTBVCDCSNY-ZDUSSCGKSA-N 0 3 301.777 3.284 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C(F)=C1CCC1 ZINC001346109521 1179655096 /nfs/dbraw/zinc/65/50/96/1179655096.db2.gz FGQJYCSHJDRIQS-JTQLQIEISA-N 0 3 306.724 3.395 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001346272567 1179678573 /nfs/dbraw/zinc/67/85/73/1179678573.db2.gz YTVGJFFXFPYORP-TZMCWYRMSA-N 0 3 303.431 3.070 20 30 DGEDHN CC(C)(C)N1CC[C@H]1COC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001346337688 1179686119 /nfs/dbraw/zinc/68/61/19/1179686119.db2.gz HUGJQYCHHTYUHD-INIZCTEOSA-N 0 3 312.413 3.006 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001347392331 1179802696 /nfs/dbraw/zinc/80/26/96/1179802696.db2.gz SRYYTUUSMQDCLJ-WDEREUQCSA-N 0 3 317.776 3.209 20 30 DGEDHN C=CCCCCCC[NH2+][C@@H](C)c1cc(-c2nnn[n-]2)ccn1 ZINC001602838123 1192999733 /nfs/dbraw/zinc/99/97/33/1192999733.db2.gz QGJDPBIELJJUQL-ZDUSSCGKSA-N 0 3 300.410 3.049 20 30 DGEDHN C=CCCCCCC[NH2+][C@@H](C)c1cc(-c2nn[n-]n2)ccn1 ZINC001602838123 1192999735 /nfs/dbraw/zinc/99/97/35/1192999735.db2.gz QGJDPBIELJJUQL-ZDUSSCGKSA-N 0 3 300.410 3.049 20 30 DGEDHN Cc1ccsc1[C@H](Cc1ccccc1)NC[C@H](O)CC#N ZINC001351290566 1180195476 /nfs/dbraw/zinc/19/54/76/1180195476.db2.gz XOBJYOONBGEZGD-CVEARBPZSA-N 0 3 300.427 3.205 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2cccc(Cl)c2F)C1 ZINC001100170494 1180418950 /nfs/dbraw/zinc/41/89/50/1180418950.db2.gz PZXCFXFXYJSBRY-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN CC1(C(=O)NCC2CC(NCC#Cc3ccccc3)C2)CCCC1 ZINC001100548520 1180783069 /nfs/dbraw/zinc/78/30/69/1180783069.db2.gz ZOQLTDRGRQPVRM-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN CCCC1(C(=O)NCC2CC(NCC#Cc3ccccc3)C2)CC1 ZINC001100654057 1180897196 /nfs/dbraw/zinc/89/71/96/1180897196.db2.gz MKMQNOGHTLMLBJ-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](CC)c1cccc(OC)c1 ZINC001356293514 1181170807 /nfs/dbraw/zinc/17/08/07/1181170807.db2.gz JEOKPQUBZGJNMM-IAGOWNOFSA-N 0 3 304.434 3.288 20 30 DGEDHN CC(C)[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001356567247 1181216453 /nfs/dbraw/zinc/21/64/53/1181216453.db2.gz NEFXKFLDINZNFZ-IOASZLSFSA-N 0 3 312.369 3.455 20 30 DGEDHN C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604740013 1193091943 /nfs/dbraw/zinc/09/19/43/1193091943.db2.gz OUFUTVCYAFTYMN-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604740013 1193091947 /nfs/dbraw/zinc/09/19/47/1193091947.db2.gz OUFUTVCYAFTYMN-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604740013 1193091949 /nfs/dbraw/zinc/09/19/49/1193091949.db2.gz OUFUTVCYAFTYMN-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604740013 1193091951 /nfs/dbraw/zinc/09/19/51/1193091951.db2.gz OUFUTVCYAFTYMN-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001357667866 1181417062 /nfs/dbraw/zinc/41/70/62/1181417062.db2.gz IRVDPRKAZKWZHO-ROUUACIJSA-N 0 3 317.477 3.475 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)c1cc(F)ccc1OC ZINC001358168049 1181464082 /nfs/dbraw/zinc/46/40/82/1181464082.db2.gz NHVHJELUIGUKFJ-HUUCEWRRSA-N 0 3 308.397 3.085 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2conc2C)CCCC1 ZINC001480816251 1181694241 /nfs/dbraw/zinc/69/42/41/1181694241.db2.gz VVTNJEOVDLZOAX-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC001448872448 1182216603 /nfs/dbraw/zinc/21/66/03/1182216603.db2.gz AAEQWDMRTDHWHR-WBVHZDCISA-N 0 3 318.461 3.302 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC001455950464 1182389223 /nfs/dbraw/zinc/38/92/23/1182389223.db2.gz PXADBMTVNCJIFU-BPQIPLTHSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CC1CCN(CC(=O)NCCc2c(C)cc(C)cc2C)CC1 ZINC001459495345 1182590508 /nfs/dbraw/zinc/59/05/08/1182590508.db2.gz YVZXKYSEDKPOTE-UHFFFAOYSA-N 0 3 314.473 3.169 20 30 DGEDHN Cc1ccc(C)c([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC001459888696 1182627072 /nfs/dbraw/zinc/62/70/72/1182627072.db2.gz KHNBOWVUXPACAJ-HNNXBMFYSA-N 0 3 307.397 3.464 20 30 DGEDHN C=CC[C@H]1CCCN([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001460362681 1182683972 /nfs/dbraw/zinc/68/39/72/1182683972.db2.gz NSZDQXHDLBYXGE-YOEHRIQHSA-N 0 3 302.393 3.219 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC001460886810 1182735808 /nfs/dbraw/zinc/73/58/08/1182735808.db2.gz QQYKJDRQONAXMB-OAHLLOKOSA-N 0 3 318.417 3.073 20 30 DGEDHN Cc1noc(-c2ccc(CNCc3ccc(C#N)cc3)cc2)n1 ZINC001461427665 1182812762 /nfs/dbraw/zinc/81/27/62/1182812762.db2.gz YJVBYTLHKDQRRS-UHFFFAOYSA-N 0 3 304.353 3.207 20 30 DGEDHN C#CCC[C@@H](O)CNCc1cc2cccc(C)c2nc1Cl ZINC001461727905 1182845849 /nfs/dbraw/zinc/84/58/49/1182845849.db2.gz FUAPZILJEFNLTF-OAHLLOKOSA-N 0 3 302.805 3.061 20 30 DGEDHN C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC001462407788 1182949032 /nfs/dbraw/zinc/94/90/32/1182949032.db2.gz WGCLWNNWWSJCOT-BEFAXECRSA-N 0 3 324.424 3.254 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(CCC(C)C)cc1 ZINC001465462627 1183151092 /nfs/dbraw/zinc/15/10/92/1183151092.db2.gz CLNLIRDTWOCNCA-UHFFFAOYSA-N 0 3 315.461 3.352 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC001468276584 1183322539 /nfs/dbraw/zinc/32/25/39/1183322539.db2.gz OFPUIRBCFYUQOQ-SJLPKXTDSA-N 0 3 313.445 3.184 20 30 DGEDHN C=CCCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001469868749 1183443334 /nfs/dbraw/zinc/44/33/34/1183443334.db2.gz TVDRVGIVTKYGSW-UHFFFAOYSA-N 0 3 307.482 3.250 20 30 DGEDHN CN(Cc1cc2ccccc2[nH]1)C[C@H](O)c1cccc(C#N)c1 ZINC001473208033 1183729970 /nfs/dbraw/zinc/72/99/70/1183729970.db2.gz GTCGBXRSQPOBRF-IBGZPJMESA-N 0 3 305.381 3.205 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC001473238723 1183734025 /nfs/dbraw/zinc/73/40/25/1183734025.db2.gz MGDQVOHVXRVXHA-HOTGVXAUSA-N 0 3 316.445 3.382 20 30 DGEDHN CCCCCCCN1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC001473819254 1183807975 /nfs/dbraw/zinc/80/79/75/1183807975.db2.gz WZCZIUBJWMUTOX-UHFFFAOYSA-N 0 3 316.449 3.361 20 30 DGEDHN N#Cc1csc(CNCCc2c[nH]c3c2cccc3Cl)n1 ZINC001474226726 1183885327 /nfs/dbraw/zinc/88/53/27/1183885327.db2.gz ZCCNEUFFDBSINR-UHFFFAOYSA-N 0 3 316.817 3.482 20 30 DGEDHN C#CC[C@@H](COC)NCc1cccc(COc2ccccc2)c1 ZINC001474225958 1183885637 /nfs/dbraw/zinc/88/56/37/1183885637.db2.gz CPQMQPJOCKULIT-IBGZPJMESA-N 0 3 309.409 3.394 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001477467169 1184091714 /nfs/dbraw/zinc/09/17/14/1184091714.db2.gz QDFJTCFVFQUPGO-KRWDZBQOSA-N 0 3 317.477 3.061 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)C2CCCCCC2)CC1 ZINC001477805628 1184113272 /nfs/dbraw/zinc/11/32/72/1184113272.db2.gz RTFRWBICJFCWKQ-OAHLLOKOSA-N 0 3 307.482 3.295 20 30 DGEDHN C#CCN(C)CCCNC(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001478156843 1184132636 /nfs/dbraw/zinc/13/26/36/1184132636.db2.gz NNESFAFYDWBECW-UHFFFAOYSA-N 0 3 321.509 3.093 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001478651738 1184165558 /nfs/dbraw/zinc/16/55/58/1184165558.db2.gz YGHQSSSTIXNGFL-IBGZPJMESA-N 0 3 315.461 3.162 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC001478735289 1184171883 /nfs/dbraw/zinc/17/18/83/1184171883.db2.gz HOLXRUANOVXEHO-SFHVURJKSA-N 0 3 319.493 3.086 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001479315262 1184231092 /nfs/dbraw/zinc/23/10/92/1184231092.db2.gz NZSUAAZZMJRJLO-PHIMTYICSA-N 0 3 305.249 3.002 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001479344602 1184236812 /nfs/dbraw/zinc/23/68/12/1184236812.db2.gz NTMHUONXJXYMSH-HEHGZKQESA-N 0 3 324.827 3.166 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2)[C@H]1CC ZINC001479646264 1184284673 /nfs/dbraw/zinc/28/46/73/1184284673.db2.gz RMEVUSZJJGFPEB-RYQLBKOJSA-N 0 3 300.446 3.335 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)[C@H]1C ZINC001479729548 1184304648 /nfs/dbraw/zinc/30/46/48/1184304648.db2.gz ABXUMUNPFLCYHQ-AEFFLSMTSA-N 0 3 306.494 3.297 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CN(C)C[C@@H]1CCCCO1 ZINC001479735397 1184306008 /nfs/dbraw/zinc/30/60/08/1184306008.db2.gz RDJZIAZRRVGVKG-ROUUACIJSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnc2ccccc2c1 ZINC001479737352 1184307772 /nfs/dbraw/zinc/30/77/72/1184307772.db2.gz FUABFZJVXICBEY-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]3c3ccccc3)C2)C1 ZINC001479758402 1184314920 /nfs/dbraw/zinc/31/49/20/1184314920.db2.gz HFFZIDOBDCBDKA-RBUKOAKNSA-N 0 3 324.468 3.291 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cnoc1C ZINC001479827072 1184340185 /nfs/dbraw/zinc/34/01/85/1184340185.db2.gz WANOWRAWMYVFSZ-RHSMWYFYSA-N 0 3 319.449 3.199 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H](C)CCC(C)(C)C)C1CC1 ZINC001479878617 1184361640 /nfs/dbraw/zinc/36/16/40/1184361640.db2.gz FGEGMFBLRFSCTK-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN Cc1cccc(C)c1CN1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001479902807 1184372006 /nfs/dbraw/zinc/37/20/06/1184372006.db2.gz BOBLZBTWFUHACY-GOSISDBHSA-N 0 3 312.457 3.043 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001479909996 1184376291 /nfs/dbraw/zinc/37/62/91/1184376291.db2.gz ARECOFJNCHHEEQ-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2scnc2CC)C1 ZINC001479955026 1184387437 /nfs/dbraw/zinc/38/74/37/1184387437.db2.gz FVBDFHXUJORBGR-AWEZNQCLSA-N 0 3 321.490 3.256 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479952001 1184389096 /nfs/dbraw/zinc/38/90/96/1184389096.db2.gz CEJSQQQJGFAOID-IRXDYDNUSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001479984406 1184403575 /nfs/dbraw/zinc/40/35/75/1184403575.db2.gz CDRZRGWFKFYXNK-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1scnc1C)C1CC1 ZINC001480045622 1184416474 /nfs/dbraw/zinc/41/64/74/1184416474.db2.gz ZAUGBZPCBUWOHW-PBHICJAKSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001480115131 1184437870 /nfs/dbraw/zinc/43/78/70/1184437870.db2.gz LBOCRLPAXSUYAI-ZFWWWQNUSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001480155870 1184446468 /nfs/dbraw/zinc/44/64/68/1184446468.db2.gz AYZQAABYDVSPQQ-WGSAOQKQSA-N 0 3 322.452 3.021 20 30 DGEDHN C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001480179351 1184453123 /nfs/dbraw/zinc/45/31/23/1184453123.db2.gz FLAUVUMWRJJOIK-AGUYFDCRSA-N 0 3 318.383 3.407 20 30 DGEDHN CC(C)(CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1CC1 ZINC001480204066 1184459824 /nfs/dbraw/zinc/45/98/24/1184459824.db2.gz XMBIBZYORJTVQN-KDURUIRLSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001480338095 1184498635 /nfs/dbraw/zinc/49/86/35/1184498635.db2.gz CXHMRTLSHBVOQQ-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN O=C(C1=CCCC1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001480343464 1184499373 /nfs/dbraw/zinc/49/93/73/1184499373.db2.gz AFOKQVUQTGWANF-HXUWFJFHSA-N 0 3 322.452 3.119 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001480543193 1184546001 /nfs/dbraw/zinc/54/60/01/1184546001.db2.gz IJYXXRBEWPYYOK-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(C(C)C)c(Cl)c2)C1 ZINC001480624605 1184564552 /nfs/dbraw/zinc/56/45/52/1184564552.db2.gz CFHHATHYQNREOF-HNNXBMFYSA-N 0 3 318.848 3.291 20 30 DGEDHN C=C[C@@H](C(=O)NCC[C@H](C)NCC(=C)Cl)c1ccccc1 ZINC001480814027 1184615904 /nfs/dbraw/zinc/61/59/04/1184615904.db2.gz ROGHZXIXPCHTQD-GOEBONIOSA-N 0 3 306.837 3.193 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1sccc1C(C)C ZINC001493334464 1184689246 /nfs/dbraw/zinc/68/92/46/1184689246.db2.gz RYNGYTXKPHKRTA-UHFFFAOYSA-N 0 3 306.475 3.337 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@H]1CCc2ccccc21)C1CC1 ZINC001493428928 1184705387 /nfs/dbraw/zinc/70/53/87/1184705387.db2.gz YHWPHUNPDKEYET-QGZVFWFLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2c(C)cccn2c1)C1CC1 ZINC001493435792 1184707470 /nfs/dbraw/zinc/70/74/70/1184707470.db2.gz LUIZPCSIDJQRGO-UHFFFAOYSA-N 0 3 311.429 3.018 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1ocnc1C)C(C)C ZINC001493867699 1184751677 /nfs/dbraw/zinc/75/16/77/1184751677.db2.gz XEMQDUIJQDMJFW-UHFFFAOYSA-N 0 3 321.465 3.302 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC001493894294 1184759519 /nfs/dbraw/zinc/75/95/19/1184759519.db2.gz ZJRPCNUJLYBWKB-GBESFXJTSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC001493896160 1184761073 /nfs/dbraw/zinc/76/10/73/1184761073.db2.gz JORWSQXGWPIGFZ-LJQANCHMSA-N 0 3 319.408 3.415 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC001493896141 1184761108 /nfs/dbraw/zinc/76/11/08/1184761108.db2.gz JORWSQXGWPIGFZ-IBGZPJMESA-N 0 3 319.408 3.415 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C2CC2)cn1)c1ccccc1 ZINC001493903297 1184762258 /nfs/dbraw/zinc/76/22/58/1184762258.db2.gz JGLZWVBRHDJUKR-IBGZPJMESA-N 0 3 321.424 3.206 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2ccc(Cl)o2)C1 ZINC001493936666 1184769009 /nfs/dbraw/zinc/76/90/09/1184769009.db2.gz ZGDSIBCJFUJZMI-ZDUSSCGKSA-N 0 3 310.825 3.436 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001494323448 1184852893 /nfs/dbraw/zinc/85/28/93/1184852893.db2.gz JZOUBPNVIOIREM-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001494329431 1184857295 /nfs/dbraw/zinc/85/72/95/1184857295.db2.gz YNMWDYULMFMOGN-HNNXBMFYSA-N 0 3 318.486 3.397 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001494804914 1184931776 /nfs/dbraw/zinc/93/17/76/1184931776.db2.gz ASWNWXPYKCWMEF-SFHVURJKSA-N 0 3 323.440 3.234 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001494865371 1184949486 /nfs/dbraw/zinc/94/94/86/1184949486.db2.gz WWKIMUKCKDREIR-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1ccc(C)cc1Cl ZINC001494988447 1184975951 /nfs/dbraw/zinc/97/59/51/1184975951.db2.gz ZMSVGCVVYMEDCP-INIZCTEOSA-N 0 3 318.848 3.046 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)=C(C)C)NCC#Cc1ccccc1 ZINC001495035871 1184983110 /nfs/dbraw/zinc/98/31/10/1184983110.db2.gz CVCRKJSFHGXVCV-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](CC)NCC#Cc2ccccc2)CCC1 ZINC001495050076 1184987026 /nfs/dbraw/zinc/98/70/26/1184987026.db2.gz NDSWFRPELYSBCX-IBGZPJMESA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCC(C)(F)F)C1CC1 ZINC001495255237 1185017352 /nfs/dbraw/zinc/01/73/52/1185017352.db2.gz PMPUBHNNZNEBJO-CYBMUJFWSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C(C)(F)F)CCCC[C@H]1C ZINC001495314062 1185027787 /nfs/dbraw/zinc/02/77/87/1185027787.db2.gz OCNCESKQJFNSRV-YGRLFVJLSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001495374450 1185041069 /nfs/dbraw/zinc/04/10/69/1185041069.db2.gz RHFSJXCYTQBWII-CQSZACIVSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001495388568 1185043282 /nfs/dbraw/zinc/04/32/82/1185043282.db2.gz RQIZTKOFGCHLDF-AWEZNQCLSA-N 0 3 316.848 3.097 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC001495497279 1185064634 /nfs/dbraw/zinc/06/46/34/1185064634.db2.gz HKYFRCVVZTYJSN-QGZVFWFLSA-N 0 3 320.436 3.219 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001495914114 1185112124 /nfs/dbraw/zinc/11/21/24/1185112124.db2.gz DWFGVHVXGSLTEU-UHFFFAOYSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2occ3c2CCC3)CCCC1 ZINC001495934657 1185114944 /nfs/dbraw/zinc/11/49/44/1185114944.db2.gz IIYDZDJCRDFWIQ-UHFFFAOYSA-N 0 3 322.836 3.153 20 30 DGEDHN CCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CCCCC1 ZINC001496306625 1185164771 /nfs/dbraw/zinc/16/47/71/1185164771.db2.gz UOMDEEUUPNRVNP-INIZCTEOSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2nccs2)[C@H](C)C1 ZINC001496362200 1185174901 /nfs/dbraw/zinc/17/49/01/1185174901.db2.gz YKKZWLNOZRPFRD-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001496827807 1185254585 /nfs/dbraw/zinc/25/45/85/1185254585.db2.gz TUWLQIDAXZBECR-UHFFFAOYSA-N 0 3 320.436 3.381 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001496837403 1185256490 /nfs/dbraw/zinc/25/64/90/1185256490.db2.gz GEEGHTCBCYSISY-MJGOQNOKSA-N 0 3 314.473 3.230 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(CCc2ccccc2)CC1 ZINC001496852197 1185258178 /nfs/dbraw/zinc/25/81/78/1185258178.db2.gz VZPWMWZLZPOSIF-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCN3CCF)C2)CCCC1 ZINC001496867055 1185261078 /nfs/dbraw/zinc/26/10/78/1185261078.db2.gz DBLWQEUMNZOPFH-HZPDHXFCSA-N 0 3 308.441 3.015 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCN[C@H](C)c1nc2ccccc2o1 ZINC001497156296 1185288965 /nfs/dbraw/zinc/28/89/65/1185288965.db2.gz UAWMBOPFZFUBCB-ZIAGYGMSSA-N 0 3 315.417 3.339 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1cc(O)ccc1Cl ZINC001497240802 1185301383 /nfs/dbraw/zinc/30/13/83/1185301383.db2.gz INASENJCRCAKNB-LBPRGKRZSA-N 0 3 324.852 3.242 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C(C)(C)CCC ZINC001497260680 1185304866 /nfs/dbraw/zinc/30/48/66/1185304866.db2.gz YPLGUJUHLQDXSY-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)c(C)s1 ZINC001497319072 1185314914 /nfs/dbraw/zinc/31/49/14/1185314914.db2.gz MWWOUQQCRZHTLU-LLVKDONJSA-N 0 3 300.855 3.215 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(c2cccc(C)c2)CC1 ZINC001497333395 1185317258 /nfs/dbraw/zinc/31/72/58/1185317258.db2.gz TWVCLBOGOYJKPR-OAHLLOKOSA-N 0 3 320.864 3.264 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(C)c(Cl)cc1C ZINC001497433078 1185331589 /nfs/dbraw/zinc/33/15/89/1185331589.db2.gz UNKLEVBAXQCMNR-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1CCCCCC1 ZINC001497795178 1185394837 /nfs/dbraw/zinc/39/48/37/1185394837.db2.gz XWFKLCKYGKYTJJ-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001498356120 1185476275 /nfs/dbraw/zinc/47/62/75/1185476275.db2.gz PICDQSXYIQHOIY-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(Cl)ccc1Cl ZINC001498435633 1185494824 /nfs/dbraw/zinc/49/48/24/1185494824.db2.gz CZQXCRSEEGGYSL-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCc2cnoc2C)CCCC1 ZINC001498664025 1185530346 /nfs/dbraw/zinc/53/03/46/1185530346.db2.gz USIFADWJOMLDMQ-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCCC(=O)N[C@@H](CN[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC001498736902 1185538600 /nfs/dbraw/zinc/53/86/00/1185538600.db2.gz UWGQJGCDGGWBAM-SJCJKPOMSA-N 0 3 322.399 3.476 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001498804218 1185549321 /nfs/dbraw/zinc/54/93/21/1185549321.db2.gz UYPOHTKFGGHFJJ-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1CC/C=C/c1ccccc1 ZINC001498966195 1185582913 /nfs/dbraw/zinc/58/29/13/1185582913.db2.gz CHWJAHUQAQRIAX-YRVHBARZSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC(C)(C)CC(F)(F)F ZINC001499109301 1185613493 /nfs/dbraw/zinc/61/34/93/1185613493.db2.gz YYABVWFTWOCWEG-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001499131304 1185616484 /nfs/dbraw/zinc/61/64/84/1185616484.db2.gz HYVXKBWJNMJENP-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ncc(C)s2)C[C@@H]1C ZINC001499833272 1185704036 /nfs/dbraw/zinc/70/40/36/1185704036.db2.gz YCRNMFHTXNJFNI-ZFWWWQNUSA-N 0 3 321.490 3.277 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)c1ccccc1)C1CCN(CC(=C)C)CC1 ZINC001500054939 1185734951 /nfs/dbraw/zinc/73/49/51/1185734951.db2.gz ZOZXTJVKKDBXOC-SFHVURJKSA-N 0 3 324.468 3.292 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C(C)=C/CC)C2 ZINC001500155390 1185748653 /nfs/dbraw/zinc/74/86/53/1185748653.db2.gz CVWAILCLKXOVGE-KFVRLDSISA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C\CC)C2 ZINC001500155393 1185748898 /nfs/dbraw/zinc/74/88/98/1185748898.db2.gz CVWAILCLKXOVGE-VZZQTLFRSA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001500511513 1185810790 /nfs/dbraw/zinc/81/07/90/1185810790.db2.gz DMQBMOJIPMPTOU-GNBUJSLZSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cocc1C)c1ccccc1CC ZINC001501022793 1185856996 /nfs/dbraw/zinc/85/69/96/1185856996.db2.gz QZNPQLFBKLQTNG-SFHVURJKSA-N 0 3 312.413 3.397 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1CC ZINC001501020236 1185857440 /nfs/dbraw/zinc/85/74/40/1185857440.db2.gz ZAZYJCPOVHAVFL-UYAOXDASSA-N 0 3 324.468 3.376 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC(C)C)CCC1 ZINC001501392136 1185897753 /nfs/dbraw/zinc/89/77/53/1185897753.db2.gz WEODLBYEGFQUOL-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCc1ccccc1 ZINC001501396220 1185899606 /nfs/dbraw/zinc/89/96/06/1185899606.db2.gz UINMONRPZCBRCC-VQTJNVASSA-N 0 3 324.468 3.098 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccc(F)cc1 ZINC001501657859 1185917974 /nfs/dbraw/zinc/91/79/74/1185917974.db2.gz DALONQLVPNHKMK-UHFFFAOYSA-N 0 3 324.399 3.211 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)Cc2ccco2)cc1 ZINC001501681418 1185920910 /nfs/dbraw/zinc/92/09/10/1185920910.db2.gz IMMDTGCTCHVWSC-HZPDHXFCSA-N 0 3 324.424 3.058 20 30 DGEDHN CC#CCNC1(CNC(=O)c2occc2-c2ccccc2)CCC1 ZINC001501981524 1185942644 /nfs/dbraw/zinc/94/26/44/1185942644.db2.gz PNMSKAPGAQLQBA-UHFFFAOYSA-N 0 3 322.408 3.212 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@@H](c2ccccc2)C(C)C)CCC1 ZINC001502016497 1185947795 /nfs/dbraw/zinc/94/77/95/1185947795.db2.gz MISHAWKQGGDGOB-GOSISDBHSA-N 0 3 312.457 3.078 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C/CC ZINC001502521363 1185991265 /nfs/dbraw/zinc/99/12/65/1185991265.db2.gz BRJUIASTVWCFRL-HVRVZBDQSA-N 0 3 312.457 3.462 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(CCC)CCC)C2 ZINC001502546106 1185994827 /nfs/dbraw/zinc/99/48/27/1185994827.db2.gz OMRBHZQISDCNJO-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCC[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001502701097 1186001470 /nfs/dbraw/zinc/00/14/70/1186001470.db2.gz KNEUJQPOFDVEDV-RDJZCZTQSA-N 0 3 318.461 3.413 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001502738112 1186005839 /nfs/dbraw/zinc/00/58/39/1186005839.db2.gz JBUMVNMPYBYCEM-DYVFJYSZSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2ccccc2F)C1 ZINC001502745513 1186006639 /nfs/dbraw/zinc/00/66/39/1186006639.db2.gz WNWUDMXKEQLVLK-WMLDXEAASA-N 0 3 318.436 3.365 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001502922413 1186029524 /nfs/dbraw/zinc/02/95/24/1186029524.db2.gz GVPRFSHPOWSHSM-QAPCUYQASA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)[C@H](F)CC ZINC001503679219 1186050470 /nfs/dbraw/zinc/05/04/70/1186050470.db2.gz WRJXFGXJFMKIBD-QZTJIDSGSA-N 0 3 318.436 3.416 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)SC ZINC001505413934 1186070529 /nfs/dbraw/zinc/07/05/29/1186070529.db2.gz VORDVXNGVXKFKZ-FDQGKXFDSA-N 0 3 318.486 3.076 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001505503470 1186095898 /nfs/dbraw/zinc/09/58/98/1186095898.db2.gz IIEHFIOWAJDDPD-HWOWSKLDSA-N 0 3 310.869 3.360 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC001505980756 1186173998 /nfs/dbraw/zinc/17/39/98/1186173998.db2.gz JECKYDWADMAJRQ-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001506579196 1186255597 /nfs/dbraw/zinc/25/55/97/1186255597.db2.gz MDAQAELWYBDUBR-IAGOWNOFSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(CCOC2CCCCCC2)C1 ZINC001506591390 1186258227 /nfs/dbraw/zinc/25/82/27/1186258227.db2.gz KEJLGACRCTUEPH-MRXNPFEDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001506648778 1186267975 /nfs/dbraw/zinc/26/79/75/1186267975.db2.gz GGXYRWSVNGKSGA-JXFKEZNVSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C(C)(C)C1 ZINC001506750710 1186288209 /nfs/dbraw/zinc/28/82/09/1186288209.db2.gz HFKJCIMXWMNGMC-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21 ZINC001506774117 1186291220 /nfs/dbraw/zinc/29/12/20/1186291220.db2.gz NEFRVMIFSUFQNG-OSYLJGHBSA-N 0 3 318.848 3.100 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1sccc1C ZINC001506909218 1186309494 /nfs/dbraw/zinc/30/94/94/1186309494.db2.gz DFRBUDCBAXZHSG-GFCCVEGCSA-N 0 3 300.855 3.297 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](CNCc1ccns1)C1CC1 ZINC001507026762 1186343200 /nfs/dbraw/zinc/34/32/00/1186343200.db2.gz ZIMODSUBLORQCI-OAHLLOKOSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2cc(C)ns2)CC1 ZINC001507119887 1186365645 /nfs/dbraw/zinc/36/56/45/1186365645.db2.gz WAUCOPSDBCLBPT-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2cc(F)cc(F)c2)C1 ZINC001507121105 1186365993 /nfs/dbraw/zinc/36/59/93/1186365993.db2.gz UVKZNCCWKAXDHS-CYBMUJFWSA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001507133607 1186369222 /nfs/dbraw/zinc/36/92/22/1186369222.db2.gz JSLQUTWWJNLPGS-MJGOQNOKSA-N 0 3 314.473 3.276 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](CC)CCCC)CCC[C@@H]12 ZINC001507361247 1186402764 /nfs/dbraw/zinc/40/27/64/1186402764.db2.gz ZSSZWIPZGCYZKO-YQVWRLOYSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCC2CCCC2)[C@H]1C ZINC001507365345 1186403580 /nfs/dbraw/zinc/40/35/80/1186403580.db2.gz FKKSSRVXMKTTGJ-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cc(C)no2)[C@H]1C ZINC001507368814 1186404700 /nfs/dbraw/zinc/40/47/00/1186404700.db2.gz NKDMYTQYFBBUCK-HZPDHXFCSA-N 0 3 319.449 3.312 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCCN1Cc1ccccc1 ZINC001507376683 1186408456 /nfs/dbraw/zinc/40/84/56/1186408456.db2.gz LDXNODBWIHGZDD-AEFFLSMTSA-N 0 3 312.457 3.205 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccccc2)[C@H]1C ZINC001507381307 1186410976 /nfs/dbraw/zinc/41/09/76/1186410976.db2.gz BATZDHDNOCCPIV-AEFFLSMTSA-N 0 3 300.446 3.164 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1[C@H]2CCCCCC[C@H]12)C(C)C ZINC001507839735 1186448588 /nfs/dbraw/zinc/44/85/88/1186448588.db2.gz DTYJEZIJZFAEJP-ROUUACIJSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(Cl)c(F)c1)C(C)C ZINC001507842139 1186449556 /nfs/dbraw/zinc/44/95/56/1186449556.db2.gz UBCIOWVPWGAPPX-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001508082365 1186478564 /nfs/dbraw/zinc/47/85/64/1186478564.db2.gz GQAKNWUAVNXWDP-GJZGRUSLSA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@H](C)CC(C)C)CC2)CC1 ZINC001508160967 1186485960 /nfs/dbraw/zinc/48/59/60/1186485960.db2.gz ADKZQZSNJJISNM-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1nc2ccccc2s1 ZINC001517064930 1186800680 /nfs/dbraw/zinc/80/06/80/1186800680.db2.gz QXBHVNJVQODICH-GFCCVEGCSA-N 0 3 324.409 3.322 20 30 DGEDHN N#CC(C(=O)CC1CCOCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517126174 1186802949 /nfs/dbraw/zinc/80/29/49/1186802949.db2.gz UKXJMQSPKTYYOG-LLVKDONJSA-N 0 3 317.776 3.209 20 30 DGEDHN Cc1cccc(CN2CC[C@@H](Nc3c(C#N)cccc3C#N)C2)c1 ZINC001612671879 1193459216 /nfs/dbraw/zinc/45/92/16/1193459216.db2.gz KAOYBOPYNGVLEH-LJQANCHMSA-N 0 3 316.408 3.425 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)C(F)(F)F ZINC001526586976 1187376290 /nfs/dbraw/zinc/37/62/90/1187376290.db2.gz ICKCNKIKWJRKTB-SSDOTTSWSA-N 0 3 307.703 3.228 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C/Cl)CC2 ZINC001656393619 1196035720 /nfs/dbraw/zinc/03/57/20/1196035720.db2.gz JMSXFOQNVABOFD-BOSPYUDASA-N 0 3 310.869 3.408 20 30 DGEDHN CN(C)[C@H](CNC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 ZINC001538902982 1188169076 /nfs/dbraw/zinc/16/90/76/1188169076.db2.gz KKXFQGHQMJKTCX-RTBURBONSA-N 0 3 321.424 3.103 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001616682981 1193544911 /nfs/dbraw/zinc/54/49/11/1193544911.db2.gz CUJMOIJNSDXGSQ-ZWKOTPCHSA-N 0 3 305.418 3.038 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC001548676398 1188460709 /nfs/dbraw/zinc/46/07/09/1188460709.db2.gz CWPZCZOHMXUSPJ-UFYCRDLUSA-N 0 3 320.436 3.170 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCC1(F)F ZINC001565821577 1188979026 /nfs/dbraw/zinc/97/90/26/1188979026.db2.gz MIUIIYGHRNCKHD-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](OC(C)C)c1ccccc1 ZINC001556466526 1189002856 /nfs/dbraw/zinc/00/28/56/1189002856.db2.gz CCXMCTBBHDLYSA-GOSISDBHSA-N 0 3 318.461 3.119 20 30 DGEDHN C[C@@H]1[C@H](Nc2cc(C(F)(F)F)c(F)cc2C#N)CCN1C ZINC001559283744 1189192325 /nfs/dbraw/zinc/19/23/25/1189192325.db2.gz WNPFSMBEXGWRDX-PRHODGIISA-N 0 3 301.287 3.221 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001559624180 1189223544 /nfs/dbraw/zinc/22/35/44/1189223544.db2.gz ZHOSWMKRIDPUNG-OAHLLOKOSA-N 0 3 308.429 3.453 20 30 DGEDHN C#CC(C)(C)N(C)CCOc1ccccc1C(=O)OC(C)(C)C ZINC001559746765 1189237761 /nfs/dbraw/zinc/23/77/61/1189237761.db2.gz JJNFVINPIRVIKS-UHFFFAOYSA-N 0 3 317.429 3.364 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC001559973948 1189264543 /nfs/dbraw/zinc/26/45/43/1189264543.db2.gz NFITWFHOZBYLSI-RBUKOAKNSA-N 0 3 324.449 3.382 20 30 DGEDHN COC(=O)C[C@@H](NCC#Cc1cccc(Cl)c1)C(C)(C)C ZINC001560173242 1189287522 /nfs/dbraw/zinc/28/75/22/1189287522.db2.gz ZZGOWHIGUROYKH-OAHLLOKOSA-N 0 3 307.821 3.259 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2ccncc2)c1 ZINC001560392686 1189323188 /nfs/dbraw/zinc/32/31/88/1189323188.db2.gz WMJHFSNKMVPUGX-UHFFFAOYSA-N 0 3 316.202 3.048 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(-c3cnn(C)c3)cc2)c1 ZINC001560503275 1189333890 /nfs/dbraw/zinc/33/38/90/1189333890.db2.gz HTRJTWVGWWXQGI-UHFFFAOYSA-N 0 3 301.393 3.358 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cccc(Oc2ccc(F)cc2)c1 ZINC001560519675 1189335775 /nfs/dbraw/zinc/33/57/75/1189335775.db2.gz MSOOMCXVFVYMTN-KRWDZBQOSA-N 0 3 313.372 3.482 20 30 DGEDHN C#CCCCCCCN1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001561052189 1189427926 /nfs/dbraw/zinc/42/79/26/1189427926.db2.gz UKQODMLISOFLDC-UHFFFAOYSA-N 0 3 306.450 3.123 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001565827469 1189680649 /nfs/dbraw/zinc/68/06/49/1189680649.db2.gz CGUSKFHMJGEZOK-GGPKGHCWSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@H](NCc2c(C)noc2C)C1 ZINC001566066952 1189724078 /nfs/dbraw/zinc/72/40/78/1189724078.db2.gz ALFNITDOEVBVJJ-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(F)ccc1F ZINC001566122420 1189741144 /nfs/dbraw/zinc/74/11/44/1189741144.db2.gz XNTNUFUBPQRVBJ-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001566534016 1189794266 /nfs/dbraw/zinc/79/42/66/1189794266.db2.gz QPCFGVOJCRWXBZ-DZGCQCFKSA-N 0 3 310.869 3.288 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@]1(C)C=CCC1 ZINC001566561535 1189802070 /nfs/dbraw/zinc/80/20/70/1189802070.db2.gz HGWBRUNQCIYFBQ-OAQYLSRUSA-N 0 3 324.468 3.223 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C)C1CC1 ZINC001566597683 1189815439 /nfs/dbraw/zinc/81/54/39/1189815439.db2.gz AVRXXTFDNRKVKT-JXFKEZNVSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@@H]1CCc2ccccc21)C1CC1 ZINC001566600268 1189816196 /nfs/dbraw/zinc/81/61/96/1189816196.db2.gz UACQMUIBEYSJNV-SFHVURJKSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN([C@H](C)c2cccc(C)c2)C1 ZINC001566621005 1189830952 /nfs/dbraw/zinc/83/09/52/1189830952.db2.gz YCYWSAJJUSCDAO-MJGOQNOKSA-N 0 3 312.457 3.440 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2occc2C)CC1 ZINC001566700345 1189864375 /nfs/dbraw/zinc/86/43/75/1189864375.db2.gz XWQWCJKAXOVHDX-UHFFFAOYSA-N 0 3 304.434 3.020 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C[C@H]2CCCOC2)CC1 ZINC001566699140 1189864531 /nfs/dbraw/zinc/86/45/31/1189864531.db2.gz DDWLKQRXIBYSBD-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](OCC)C(C)C ZINC001566753028 1189891003 /nfs/dbraw/zinc/89/10/03/1189891003.db2.gz XBIAFHOHZQFRTM-FGTMMUONSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001566755777 1189892536 /nfs/dbraw/zinc/89/25/36/1189892536.db2.gz RIYQCQRAPFFHCM-YESZJQIVSA-N 0 3 316.445 3.160 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1cccc(C)c1 ZINC001566923946 1189953581 /nfs/dbraw/zinc/95/35/81/1189953581.db2.gz DGBMTJWUYCMZMY-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CCC)CCC1 ZINC001566955597 1189967060 /nfs/dbraw/zinc/96/70/60/1189967060.db2.gz OVZIUMPCBCMCPQ-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2nc(C)c(C)s2)C1 ZINC001567158223 1190044611 /nfs/dbraw/zinc/04/46/11/1190044611.db2.gz AAMFMWSVPIMBNA-GJZGRUSLSA-N 0 3 321.490 3.243 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001567192330 1190061243 /nfs/dbraw/zinc/06/12/43/1190061243.db2.gz XJRDXRIOBHZMQU-YESZJQIVSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H](C)NCc1nc(C)sc1C ZINC001567217613 1190076319 /nfs/dbraw/zinc/07/63/19/1190076319.db2.gz SYPOVOSWPFVXSP-GFCCVEGCSA-N 0 3 309.479 3.101 20 30 DGEDHN C=C(Br)CN[C@H](C)CCNC(=O)CC(C)=C(C)C ZINC001567225956 1190078965 /nfs/dbraw/zinc/07/89/65/1190078965.db2.gz CAICWYJBFSXWCM-CYBMUJFWSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC12CCC2 ZINC001567259399 1190099043 /nfs/dbraw/zinc/09/90/43/1190099043.db2.gz DPIZRVQIUOEATJ-CABCVRRESA-N 0 3 310.869 3.290 20 30 DGEDHN CC[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C#CC1CC1 ZINC001567279916 1190110383 /nfs/dbraw/zinc/11/03/83/1190110383.db2.gz NJBPTAQBBAOBGX-KRWDZBQOSA-N 0 3 318.848 3.253 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001567299719 1190118604 /nfs/dbraw/zinc/11/86/04/1190118604.db2.gz NLNZUSNIXCZJAD-KBXCAEBGSA-N 0 3 318.436 3.463 20 30 DGEDHN CCN(CCNC(=O)c1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC001567352352 1190148203 /nfs/dbraw/zinc/14/82/03/1190148203.db2.gz LZCBEMCWCRIWTH-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCc1ccccc1Cl ZINC001567367416 1190155156 /nfs/dbraw/zinc/15/51/56/1190155156.db2.gz AIRFADRFLQVLFH-INIZCTEOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2sc(C)nc2C)C1 ZINC001567411905 1190176425 /nfs/dbraw/zinc/17/64/25/1190176425.db2.gz RDNCIKUPJDTKBP-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2sc(C)nc2C)C1 ZINC001567411906 1190176907 /nfs/dbraw/zinc/17/69/07/1190176907.db2.gz RDNCIKUPJDTKBP-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN(C[C@@H](F)CC)C2)CCCCC1 ZINC001567421310 1190180652 /nfs/dbraw/zinc/18/06/52/1190180652.db2.gz QTGAPWIAMKPNBA-IRXDYDNUSA-N 0 3 322.468 3.146 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)CCc1ccc(C)cc1C ZINC001567428092 1190186305 /nfs/dbraw/zinc/18/63/05/1190186305.db2.gz OWNVACPDYVMCNM-UHFFFAOYSA-N 0 3 314.473 3.088 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc2nc(C)ccc2c1 ZINC001567434878 1190190084 /nfs/dbraw/zinc/19/00/84/1190190084.db2.gz SDMPZLXHSTWBJX-UHFFFAOYSA-N 0 3 323.440 3.008 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(Cl)c(OC)c1)C1CC1 ZINC001567451088 1190200994 /nfs/dbraw/zinc/20/09/94/1190200994.db2.gz CMYDBWZNSYLIIT-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN CC[C@@H](CC(=O)N(C)CCNCc1cccc(C#N)c1)C(C)C ZINC001567591481 1190222795 /nfs/dbraw/zinc/22/27/95/1190222795.db2.gz DOYGOCDFTKMWKK-SFHVURJKSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC001567662444 1190240623 /nfs/dbraw/zinc/24/06/23/1190240623.db2.gz HBJVBWQGCSCKSO-IBGZPJMESA-N 0 3 319.408 3.415 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccc1 ZINC001567660286 1190241089 /nfs/dbraw/zinc/24/10/89/1190241089.db2.gz XISHWQRPQXJGPF-JFRXWTBNSA-N 0 3 310.441 3.222 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H](N(CCC)C(=O)c2ccns2)C1 ZINC001567685295 1190251544 /nfs/dbraw/zinc/25/15/44/1190251544.db2.gz VUEZDBBRWLZVJH-GJZGRUSLSA-N 0 3 321.490 3.424 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCC2 ZINC001567858862 1190324028 /nfs/dbraw/zinc/32/40/28/1190324028.db2.gz AQYPQVIGIXPKFO-VUHPKUFZSA-N 0 3 304.478 3.432 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1sc(C)cc1C ZINC001567863874 1190326359 /nfs/dbraw/zinc/32/63/59/1190326359.db2.gz ONAZNHLVYQFXQM-HOTGVXAUSA-N 0 3 318.486 3.159 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001567915268 1190349242 /nfs/dbraw/zinc/34/92/42/1190349242.db2.gz MXFKDFKDOITLIG-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001567945176 1190368820 /nfs/dbraw/zinc/36/88/20/1190368820.db2.gz JGZOUSYZNAJPEJ-QZTJIDSGSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC23CCCC3)CCCC1 ZINC001568007544 1190395609 /nfs/dbraw/zinc/39/56/09/1190395609.db2.gz IIWWZYKDOSPVAU-CQSZACIVSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCC(C)(C)C1)C1CC1 ZINC001568027665 1190401589 /nfs/dbraw/zinc/40/15/89/1190401589.db2.gz GKUIEMHAXIIVOQ-CXAGYDPISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccncc2)CCCC[C@H]1C ZINC001568033848 1190404700 /nfs/dbraw/zinc/40/47/00/1190404700.db2.gz KFIUOMWXNBFRIA-DYVFJYSZSA-N 0 3 321.852 3.102 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2conc2C)CCCC[C@H]1C ZINC001568037065 1190406418 /nfs/dbraw/zinc/40/64/18/1190406418.db2.gz USGIGZDFKLXCFS-RDTXWAMCSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001568108143 1190423245 /nfs/dbraw/zinc/42/32/45/1190423245.db2.gz BUDAQTFHMQDTDZ-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCCCC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001568120283 1190426676 /nfs/dbraw/zinc/42/66/76/1190426676.db2.gz RCTGRHNYOUYZCY-WUXMJOGZSA-N 0 3 318.848 3.339 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C23CCC(CC2)C3(C)C)cc1 ZINC001568121375 1190427278 /nfs/dbraw/zinc/42/72/78/1190427278.db2.gz XBFULVYPDXQICA-UHFFFAOYSA-N 0 3 324.468 3.242 20 30 DGEDHN C[C@H](CNCc1ccccc1Cl)N(C)C(=O)C#CC(C)(C)C ZINC001568271852 1190469797 /nfs/dbraw/zinc/46/97/97/1190469797.db2.gz SGYNHEHDNZUOLF-CQSZACIVSA-N 0 3 320.864 3.326 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001568274446 1190469859 /nfs/dbraw/zinc/46/98/59/1190469859.db2.gz MGIJHZSDMSYJOW-QGZVFWFLSA-N 0 3 312.457 3.077 20 30 DGEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCC1 ZINC001568328024 1190491719 /nfs/dbraw/zinc/49/17/19/1190491719.db2.gz TUWKKOOUMYJWFT-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(C)c1F)C(C)C ZINC001568451287 1190526219 /nfs/dbraw/zinc/52/62/19/1190526219.db2.gz LRLGZEUYGKAYMX-AWEZNQCLSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1ncccc1C)C(C)C ZINC001568458722 1190528261 /nfs/dbraw/zinc/52/82/61/1190528261.db2.gz CAMCPRIZMVJARC-INIZCTEOSA-N 0 3 317.477 3.223 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001568459379 1190528391 /nfs/dbraw/zinc/52/83/91/1190528391.db2.gz OQTVGBXURAQICI-MTGKDYNDSA-N 0 3 324.468 3.291 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001568501151 1190551781 /nfs/dbraw/zinc/55/17/81/1190551781.db2.gz DVHMJTPZALYXBH-UHFFFAOYSA-N 0 3 300.402 3.239 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C\Cl ZINC001568520724 1190558420 /nfs/dbraw/zinc/55/84/20/1190558420.db2.gz SEGOBQSIJNVXAW-NUBPSFNZSA-N 0 3 305.249 3.146 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001568671493 1190576138 /nfs/dbraw/zinc/57/61/38/1190576138.db2.gz SFZUKINFZFHBBI-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](CC)CC(F)(F)F ZINC001568699663 1190579639 /nfs/dbraw/zinc/57/96/39/1190579639.db2.gz TWAAEYFUTISDFG-QWRGUYRKSA-N 0 3 314.779 3.202 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2cc(C)no2)CCCC1 ZINC001568718251 1190582073 /nfs/dbraw/zinc/58/20/73/1190582073.db2.gz RESMPJNHOIUHJS-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001568779372 1190588190 /nfs/dbraw/zinc/58/81/90/1190588190.db2.gz URVNBMGPMNNFBM-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN N#Cc1ccc(CNC/C=C/CNC(=O)CC2=CCCCC2)cc1 ZINC001568828383 1190593024 /nfs/dbraw/zinc/59/30/24/1190593024.db2.gz YITDMMRFJBCZKT-SNAWJCMRSA-N 0 3 323.440 3.211 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001569016399 1190608973 /nfs/dbraw/zinc/60/89/73/1190608973.db2.gz YLJDCBAGKXPBHA-BEFAXECRSA-N 0 3 317.477 3.402 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001569036643 1190611604 /nfs/dbraw/zinc/61/16/04/1190611604.db2.gz PYAZEHLLTMRETF-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2cc(C)ccc2F)C1 ZINC001569079569 1190617895 /nfs/dbraw/zinc/61/78/95/1190617895.db2.gz GWHUVOMFCOTLCW-AWEZNQCLSA-N 0 3 304.409 3.085 20 30 DGEDHN CCc1ccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)cc1 ZINC001569094854 1190620408 /nfs/dbraw/zinc/62/04/08/1190620408.db2.gz DZYRCUQTCCWIBI-KRWDZBQOSA-N 0 3 320.436 3.009 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001569415968 1190694212 /nfs/dbraw/zinc/69/42/12/1190694212.db2.gz XYYCAPOIEATTOX-UHFFFAOYSA-N 0 3 304.409 3.229 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001569465383 1190703219 /nfs/dbraw/zinc/70/32/19/1190703219.db2.gz GDZXGKXIQYXGRN-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001569578284 1190719754 /nfs/dbraw/zinc/71/97/54/1190719754.db2.gz HQNGJDRCFSHMLO-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN(C(=O)CSC(C)C)C1CCN(CC=C(C)C)CC1 ZINC001569582622 1190720047 /nfs/dbraw/zinc/72/00/47/1190720047.db2.gz OCGXNMHRFFSOFN-UHFFFAOYSA-N 0 3 322.518 3.020 20 30 DGEDHN C#CCN(C(=O)/C=C(/C)C1CC1)C1CCN(CC=C(C)C)CC1 ZINC001569583929 1190720333 /nfs/dbraw/zinc/72/03/33/1190720333.db2.gz CHEKZAOTGDWAQK-ICFOKQHNSA-N 0 3 314.473 3.235 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)CC)C2 ZINC001569622770 1190724953 /nfs/dbraw/zinc/72/49/53/1190724953.db2.gz SJZUVYYNUNVYSI-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001569628261 1190725671 /nfs/dbraw/zinc/72/56/71/1190725671.db2.gz LKIVXNIEFFYDKR-LJQANCHMSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001569628261 1190725674 /nfs/dbraw/zinc/72/56/74/1190725674.db2.gz LKIVXNIEFFYDKR-LJQANCHMSA-N 0 3 316.445 3.333 20 30 DGEDHN C#CCCCCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001569634992 1190728407 /nfs/dbraw/zinc/72/84/07/1190728407.db2.gz CIKCVIADCZRAPE-HXUWFJFHSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC001569650112 1190733344 /nfs/dbraw/zinc/73/33/44/1190733344.db2.gz VQAFIYBDJJLVQA-ICSRJNTNSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC001569650113 1190733878 /nfs/dbraw/zinc/73/38/78/1190733878.db2.gz VQAFIYBDJJLVQA-QUCCMNQESA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2cccc(F)c2F)C1 ZINC001569654759 1190735389 /nfs/dbraw/zinc/73/53/89/1190735389.db2.gz LKUJFNRHLZJKQI-SFHVURJKSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](CC)CC(F)F)C1 ZINC001569715745 1190747920 /nfs/dbraw/zinc/74/79/20/1190747920.db2.gz QFVOEELOPFZBOW-CZUORRHYSA-N 0 3 302.409 3.072 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001569724123 1190750618 /nfs/dbraw/zinc/75/06/18/1190750618.db2.gz PXIZWMXQYYJIIN-VQIMIIECSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(C)co1)c1ccccc1CC ZINC001569801603 1190755754 /nfs/dbraw/zinc/75/57/54/1190755754.db2.gz DVNBOQBVTHFZEB-KRWDZBQOSA-N 0 3 312.413 3.397 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCCCCC)C[C@@H]2C1 ZINC001569877907 1190768802 /nfs/dbraw/zinc/76/88/02/1190768802.db2.gz GKWVYCHUQVNBEL-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)CCCCCCCC)C[C@@H]2C1 ZINC001569881477 1190769763 /nfs/dbraw/zinc/76/97/63/1190769763.db2.gz FJGHCJIMVQCLPE-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1(C)CC(F)(F)C1 ZINC001570027968 1190783117 /nfs/dbraw/zinc/78/31/17/1190783117.db2.gz DMABMGYEMJDTSL-UHFFFAOYSA-N 0 3 322.399 3.356 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CC(C)(C)C=C ZINC001570026913 1190783742 /nfs/dbraw/zinc/78/37/42/1190783742.db2.gz NZQIGRFUZZEOQU-UHFFFAOYSA-N 0 3 312.457 3.360 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)CC)cc1 ZINC001570030948 1190784972 /nfs/dbraw/zinc/78/49/72/1190784972.db2.gz FECYRUFQLLXTEP-OAHLLOKOSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC001570183922 1190809864 /nfs/dbraw/zinc/80/98/64/1190809864.db2.gz UDRSGUJYDKPNPS-OALUTQOASA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC001570183921 1190810120 /nfs/dbraw/zinc/81/01/20/1190810120.db2.gz UDRSGUJYDKPNPS-MOPGFXCFSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001570186843 1190810996 /nfs/dbraw/zinc/81/09/96/1190810996.db2.gz CAHNDWMLBZQMNS-UXHICEINSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001570186844 1190811083 /nfs/dbraw/zinc/81/10/83/1190811083.db2.gz CAHNDWMLBZQMNS-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001570220653 1190826568 /nfs/dbraw/zinc/82/65/68/1190826568.db2.gz VNELOSSFYJEFIC-MOPGFXCFSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCCCC(C)C)C2 ZINC001570275303 1190835535 /nfs/dbraw/zinc/83/55/35/1190835535.db2.gz UHBUOVMGAGLJOL-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)C[C@H](C)OC)cc2C1 ZINC001570311310 1190837470 /nfs/dbraw/zinc/83/74/70/1190837470.db2.gz TWRAMFPKTBQBPY-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN CC(C)CN1Cc2ccc(CNC(=O)C#CC(C)(C)C)cc2C1 ZINC001570312399 1190838229 /nfs/dbraw/zinc/83/82/29/1190838229.db2.gz CXJBVFQMVAPUTA-UHFFFAOYSA-N 0 3 312.457 3.324 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001570397346 1190852537 /nfs/dbraw/zinc/85/25/37/1190852537.db2.gz GUWIGJBTUUIQOY-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@@H](C)C1 ZINC001570440251 1190859778 /nfs/dbraw/zinc/85/97/78/1190859778.db2.gz JQEZPUIWCNEOFP-IRXDYDNUSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001570468390 1190865812 /nfs/dbraw/zinc/86/58/12/1190865812.db2.gz JLSHFODABFEFFX-GJZGRUSLSA-N 0 3 308.853 3.335 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CCC1 ZINC001570505447 1190871809 /nfs/dbraw/zinc/87/18/09/1190871809.db2.gz FLYHMUMBEAIJHJ-MOPGFXCFSA-N 0 3 324.468 3.466 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1(C)CCCC1 ZINC001570519617 1190874037 /nfs/dbraw/zinc/87/40/37/1190874037.db2.gz VGGATDBYPANFHF-UYAOXDASSA-N 0 3 324.468 3.352 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CN(C)CCOC1CCC1 ZINC001570532747 1190878279 /nfs/dbraw/zinc/87/82/79/1190878279.db2.gz MENNZDRTXFGSRE-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C/C=C/Cc1ccccc1 ZINC001570534978 1190878785 /nfs/dbraw/zinc/87/87/85/1190878785.db2.gz UMGCBNYWHOFIRT-IHHMQQGQSA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1ccc(F)cc1F ZINC001570545495 1190884674 /nfs/dbraw/zinc/88/46/74/1190884674.db2.gz UIHFROLBRLKIHY-UKRRQHHQSA-N 0 3 322.399 3.177 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001570630196 1190906011 /nfs/dbraw/zinc/90/60/11/1190906011.db2.gz FUNCECKXWQOTMQ-SJORKVTESA-N 0 3 314.473 3.347 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001570642905 1190908785 /nfs/dbraw/zinc/90/87/85/1190908785.db2.gz YOLSHRXXDPSXTD-QWHCGFSZSA-N 0 3 321.490 3.429 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNCc1cnoc1C ZINC001570684000 1190916823 /nfs/dbraw/zinc/91/68/23/1190916823.db2.gz KHWYIWIPZNBAHU-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN Cc1cccc(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)c1 ZINC001570695160 1190919673 /nfs/dbraw/zinc/91/96/73/1190919673.db2.gz HQXOVFKIEJFLBR-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001570720408 1190930065 /nfs/dbraw/zinc/93/00/65/1190930065.db2.gz REDKOLNUKDZESY-ZDUSSCGKSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)C/C=C/c1ccccc1 ZINC001570727963 1190932369 /nfs/dbraw/zinc/93/23/69/1190932369.db2.gz GTRJULLBRRESCM-ISBHARSQSA-N 0 3 300.446 3.349 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCOc1cccc(C)c1 ZINC001570728476 1190933071 /nfs/dbraw/zinc/93/30/71/1190933071.db2.gz PSKKMEAZSTZFPS-INIZCTEOSA-N 0 3 318.461 3.023 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)C/C=C\c1ccccc1 ZINC001570730000 1190933837 /nfs/dbraw/zinc/93/38/37/1190933837.db2.gz HFYYPSQZLFMFKC-RMHQSFGDSA-N 0 3 312.457 3.330 20 30 DGEDHN CC(C)CCCC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001570737753 1190938395 /nfs/dbraw/zinc/93/83/95/1190938395.db2.gz MDTSCNYNHQKPCU-INIZCTEOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2ccc(F)cn2)CCCCC1 ZINC001570793239 1190950206 /nfs/dbraw/zinc/95/02/06/1190950206.db2.gz JMLYRPAVTWUNDY-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)CC(F)(F)F ZINC001570822647 1190958807 /nfs/dbraw/zinc/95/88/07/1190958807.db2.gz IDBIKCCCWOXXEM-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)CC(F)(F)F ZINC001570822646 1190958975 /nfs/dbraw/zinc/95/89/75/1190958975.db2.gz IDBIKCCCWOXXEM-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@]2(C1)CN(CCC(C)(C)C)CCO2 ZINC001570885156 1190969898 /nfs/dbraw/zinc/96/98/98/1190969898.db2.gz YARDTKNQAOWXLF-IBGZPJMESA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001570886168 1190970220 /nfs/dbraw/zinc/97/02/20/1190970220.db2.gz CLTXXENWCKAEPZ-APWZRJJASA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C)OCC ZINC001570896451 1190971872 /nfs/dbraw/zinc/97/18/72/1190971872.db2.gz CQNJKAUZDSDMAM-SJORKVTESA-N 0 3 322.493 3.151 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1coc2cc(C)c(C)cc12 ZINC001571398125 1191013652 /nfs/dbraw/zinc/01/36/52/1191013652.db2.gz OTQMEHGTAJLXBY-HNNXBMFYSA-N 0 3 312.413 3.123 20 30 DGEDHN C[C@@H](CN(C)C(=O)C(C)(C)C)NCC#Cc1ccc(Cl)cc1 ZINC001571414397 1191019536 /nfs/dbraw/zinc/01/95/36/1191019536.db2.gz OOMKLPHGGUEVSD-AWEZNQCLSA-N 0 3 320.864 3.174 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001571451191 1191021845 /nfs/dbraw/zinc/02/18/45/1191021845.db2.gz QVLXUAIYQDHHOB-APWZRJJASA-N 0 3 312.457 3.053 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](CC)CCCC)CCC[C@@H]12 ZINC001571496204 1191032260 /nfs/dbraw/zinc/03/22/60/1191032260.db2.gz AUHWIZODCBYLEV-ZHALLVOQSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2(CC)CCCC2)[C@H]1C ZINC001571525327 1191043607 /nfs/dbraw/zinc/04/36/07/1191043607.db2.gz QLWNAJANLVYFBF-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccccc2F)[C@H]1C ZINC001571526010 1191044000 /nfs/dbraw/zinc/04/40/00/1191044000.db2.gz ZQQQQSHFPHBYEU-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@H]1CCC(F)(F)C1)C(C)C ZINC001571612589 1191058529 /nfs/dbraw/zinc/05/85/29/1191058529.db2.gz PODCHZSSKLOVAQ-OAHLLOKOSA-N 0 3 314.420 3.004 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCCC1(F)F)C(C)C ZINC001571614202 1191061973 /nfs/dbraw/zinc/06/19/73/1191061973.db2.gz YJHLNNUNMIOUNQ-AWEZNQCLSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)c1c(C)noc1C)C(C)C ZINC001571615535 1191062677 /nfs/dbraw/zinc/06/26/77/1191062677.db2.gz VMQDHXLTFADJDE-AWEZNQCLSA-N 0 3 321.465 3.140 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CC[C@H](CC)CC1)C(C)C ZINC001571616228 1191063132 /nfs/dbraw/zinc/06/31/32/1191063132.db2.gz VNPZUNRAEGXCSY-IYARVYRRSA-N 0 3 306.494 3.395 20 30 DGEDHN CCCCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001571619063 1191065338 /nfs/dbraw/zinc/06/53/38/1191065338.db2.gz JIYKALSDNWZASV-HNNXBMFYSA-N 0 3 321.490 3.430 20 30 DGEDHN CC(C)(C)[C@@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCC1 ZINC001571621402 1191065824 /nfs/dbraw/zinc/06/58/24/1191065824.db2.gz BTESSGRITKFHJE-LJQANCHMSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001571646212 1191073802 /nfs/dbraw/zinc/07/38/02/1191073802.db2.gz LUZXZWAOPNDVLG-KOHRHEQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@]2(C)CC=CCC2)c(F)c1 ZINC001571703266 1191086661 /nfs/dbraw/zinc/08/66/61/1191086661.db2.gz ZWCHJMSRGWUANV-LJQANCHMSA-N 0 3 316.420 3.464 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC001574850224 1191453750 /nfs/dbraw/zinc/45/37/50/1191453750.db2.gz WRUFQSITZCJDGC-LKTVYLICSA-N 0 3 322.836 3.364 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC001574852867 1191455329 /nfs/dbraw/zinc/45/53/29/1191455329.db2.gz ZHGPFEIEQWLVMB-INRQWTSDSA-N 0 3 310.869 3.177 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1csc(-c2ccccc2)n1 ZINC001574908429 1191457819 /nfs/dbraw/zinc/45/78/19/1191457819.db2.gz NJOKDMQPUKBWCU-CYBMUJFWSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001574903917 1191457899 /nfs/dbraw/zinc/45/78/99/1191457899.db2.gz XTPYEDXMJNCZBE-KSZLIROESA-N 0 3 300.446 3.198 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC001574901449 1191458272 /nfs/dbraw/zinc/45/82/72/1191458272.db2.gz IAXRIRGWJGCZPI-GOEBONIOSA-N 0 3 306.475 3.309 20 30 DGEDHN CC#CC[C@H](N)C(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC001574972727 1191461963 /nfs/dbraw/zinc/46/19/63/1191461963.db2.gz OXPGAXDJQOJREF-IBGZPJMESA-N 0 3 306.409 3.019 20 30 DGEDHN CC(C)CC[C@H](N)C(=O)Nc1cccc(OCCCC#N)c1 ZINC001575560677 1191492494 /nfs/dbraw/zinc/49/24/94/1191492494.db2.gz KIKNRHNADXLUFC-INIZCTEOSA-N 0 3 303.406 3.071 20 30 DGEDHN CC(C)CN(C(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC001575587601 1191494677 /nfs/dbraw/zinc/49/46/77/1191494677.db2.gz RQRGKWOJLYPTCU-AWEZNQCLSA-N 0 3 307.825 3.350 20 30 DGEDHN CCC#C[C@H](C)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001620455499 1193770304 /nfs/dbraw/zinc/77/03/04/1193770304.db2.gz SMSDIEKGTVNJNE-HDMKZQKVSA-N 0 3 306.450 3.168 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN(C)CCOc1ccccc1 ZINC001621113522 1193805069 /nfs/dbraw/zinc/80/50/69/1193805069.db2.gz JLYYQCJKDBPVOH-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cc2c(cc[nH]c2=O)o1 ZINC001621487940 1193849525 /nfs/dbraw/zinc/84/95/25/1193849525.db2.gz MJIBIAGXDACFCF-UHFFFAOYSA-N 0 3 307.353 3.080 20 30 DGEDHN COc1cc(CCNCc2cccc(F)c2C#N)cc(OC)c1 ZINC001621569763 1193860753 /nfs/dbraw/zinc/86/07/53/1193860753.db2.gz DALOQHBETNIFBZ-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001623890484 1193971088 /nfs/dbraw/zinc/97/10/88/1193971088.db2.gz LXDIDSHVMLFQQK-UHFFFAOYSA-N 0 3 323.440 3.486 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)nc2ccccc21 ZINC001626744265 1194093024 /nfs/dbraw/zinc/09/30/24/1194093024.db2.gz BGPMMDLEQQFBSX-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001626754813 1194093809 /nfs/dbraw/zinc/09/38/09/1194093809.db2.gz NMDBLRPHOJTZRM-MSOLQXFVSA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001628553164 1194184061 /nfs/dbraw/zinc/18/40/61/1194184061.db2.gz LLWULMRLZYFCNA-SFHVURJKSA-N 0 3 315.461 3.089 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001628634988 1194189106 /nfs/dbraw/zinc/18/91/06/1194189106.db2.gz RZJJDBAFZPYFTI-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001628827895 1194199199 /nfs/dbraw/zinc/19/91/99/1194199199.db2.gz UEUMCNGUMOCRSK-QGZVFWFLSA-N 0 3 300.446 3.324 20 30 DGEDHN C=C(CC(C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001629933835 1194260602 /nfs/dbraw/zinc/26/06/02/1194260602.db2.gz CAIYTHLJQXVAFH-UHFFFAOYSA-N 0 3 310.507 3.067 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001634647134 1194507473 /nfs/dbraw/zinc/50/74/73/1194507473.db2.gz XNHWAQGRDBBVCB-KGLIPLIRSA-N 0 3 320.399 3.321 20 30 DGEDHN C=C[C@@H](C)ONC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001636610237 1194624569 /nfs/dbraw/zinc/62/45/69/1194624569.db2.gz PLNRIAAQLJLNPV-CQSZACIVSA-N 0 3 311.470 3.035 20 30 DGEDHN Cc1nc(N2CCN[C@@H](c3ccccc3)C2)c(Cl)cc1C#N ZINC001640438330 1194813338 /nfs/dbraw/zinc/81/33/38/1194813338.db2.gz KVHDNVHGXRYOMB-MRXNPFEDSA-N 0 3 312.804 3.066 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001641724794 1194868450 /nfs/dbraw/zinc/86/84/50/1194868450.db2.gz YOQVFGXVWXNPKE-UHFFFAOYSA-N 0 3 320.864 3.322 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001641778136 1194870921 /nfs/dbraw/zinc/87/09/21/1194870921.db2.gz YSCNPNXUIJAFQB-SFHVURJKSA-N 0 3 300.446 3.288 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)c1 ZINC001642594338 1194922073 /nfs/dbraw/zinc/92/20/73/1194922073.db2.gz GMJYPPHLGGTYES-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC001643274038 1195010650 /nfs/dbraw/zinc/01/06/50/1195010650.db2.gz GHHPFQFEDNNQGO-UHFFFAOYSA-N 0 3 319.408 3.387 20 30 DGEDHN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN1C1CCCC1 ZINC001644601468 1195119300 /nfs/dbraw/zinc/11/93/00/1195119300.db2.gz SJOGWIOZDOCZGO-MRXNPFEDSA-N 0 3 317.477 3.326 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(F)cc1OC(F)F ZINC001645048663 1195153068 /nfs/dbraw/zinc/15/30/68/1195153068.db2.gz FINRPFDGZVGERD-PWSUYJOCSA-N 0 3 303.324 3.405 20 30 DGEDHN Cc1ccc(C)c([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC001645169381 1195162544 /nfs/dbraw/zinc/16/25/44/1195162544.db2.gz HKTWGENGHGOGFK-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC001645614666 1195194779 /nfs/dbraw/zinc/19/47/79/1195194779.db2.gz PXMTUWSMMGGMRL-KRWDZBQOSA-N 0 3 322.880 3.352 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nc(C)cs2)C[C@@H]1C ZINC001671230024 1195237862 /nfs/dbraw/zinc/23/78/62/1195237862.db2.gz BPVKPNUWRBMLBR-LSDHHAIUSA-N 0 3 321.490 3.277 20 30 DGEDHN C#CCCN1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001647901499 1195264199 /nfs/dbraw/zinc/26/41/99/1195264199.db2.gz VVUICVZBEMOSBE-UHFFFAOYSA-N 0 3 311.404 3.419 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001649438842 1195338245 /nfs/dbraw/zinc/33/82/45/1195338245.db2.gz LXRSNGCRSHUSDW-ZQIUZPCESA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2cc[nH]c2c1 ZINC001649443941 1195340501 /nfs/dbraw/zinc/34/05/01/1195340501.db2.gz QOTNSKBIYHNPGM-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN CCN1CC[C@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC001651359133 1195449123 /nfs/dbraw/zinc/44/91/23/1195449123.db2.gz ZUBZPFVBWFDFDH-LBPRGKRZSA-N 0 3 300.793 3.266 20 30 DGEDHN C=C[C@@H](C(=O)N1CCN(C2CCCC2)[C@H](C)C1)c1ccccc1 ZINC001651773796 1195508149 /nfs/dbraw/zinc/50/81/49/1195508149.db2.gz AODXLMWOTUALLG-VQIMIIECSA-N 0 3 312.457 3.432 20 30 DGEDHN C#CCN(Cc1cc(C(=O)OC)c(CC)[nH]1)C1CCCCC1 ZINC001651831569 1195515450 /nfs/dbraw/zinc/51/54/50/1195515450.db2.gz VHTGCEKUNOUSFE-UHFFFAOYSA-N 0 3 302.418 3.132 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCC(C)(C)O1 ZINC001652437847 1195596701 /nfs/dbraw/zinc/59/67/01/1195596701.db2.gz QJUKOQFAEBFLIW-GOSISDBHSA-N 0 3 316.445 3.354 20 30 DGEDHN C#CCN(CC#C)CCCCOc1ccccc1C(F)(F)F ZINC001652554715 1195617503 /nfs/dbraw/zinc/61/75/03/1195617503.db2.gz HWTZKPZIOCUGSG-UHFFFAOYSA-N 0 3 309.331 3.433 20 30 DGEDHN COCC#CCN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001653800567 1195751702 /nfs/dbraw/zinc/75/17/02/1195751702.db2.gz NCLUVIDARNUYDV-NRFANRHFSA-N 0 3 305.421 3.478 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001653916976 1195759829 /nfs/dbraw/zinc/75/98/29/1195759829.db2.gz WADUCBMZBVRDKF-UONOGXRCSA-N 0 3 303.324 3.420 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC001654508991 1195810871 /nfs/dbraw/zinc/81/08/71/1195810871.db2.gz ZQRQFGSCYXCBPN-DRZUXFPHSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2c3ccccc3oc2C(=O)OCC)C1 ZINC001654762144 1195836609 /nfs/dbraw/zinc/83/66/09/1195836609.db2.gz ARCOUGXNFZVRBJ-CQSZACIVSA-N 0 3 311.381 3.455 20 30 DGEDHN C=CCNCc1cn(-c2ccccc2Br)nc1C ZINC001655216701 1195892609 /nfs/dbraw/zinc/89/26/09/1195892609.db2.gz YSMBPVPFIGPNSI-UHFFFAOYSA-N 0 3 306.207 3.219 20 30 DGEDHN CCC#C[C@H](C)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001655225342 1195893021 /nfs/dbraw/zinc/89/30/21/1195893021.db2.gz TVKNZQYOZCDDEK-ZYSHUDEJSA-N 0 3 320.477 3.367 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001656105764 1196002544 /nfs/dbraw/zinc/00/25/44/1196002544.db2.gz KSSICCCGXOSPRO-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(C(F)(F)F)CCCC1 ZINC001656112449 1196005296 /nfs/dbraw/zinc/00/52/96/1196005296.db2.gz AZAYLZLLVLKENR-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C[C@@H]1CCN1CCCF)c1ccccc1 ZINC001656109445 1196005305 /nfs/dbraw/zinc/00/53/05/1196005305.db2.gz KUEWTQNDPAJTGM-WMZOPIPTSA-N 0 3 318.436 3.239 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@@H]1C[C@@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001656188019 1196015268 /nfs/dbraw/zinc/01/52/68/1196015268.db2.gz MNYAKIZQUQRMMG-XJFOESAGSA-N 0 3 319.836 3.045 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001656216357 1196019147 /nfs/dbraw/zinc/01/91/47/1196019147.db2.gz NZSUAAZZMJRJLO-XYPYZODXSA-N 0 3 305.249 3.002 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC(F)F)C1 ZINC001656251677 1196023805 /nfs/dbraw/zinc/02/38/05/1196023805.db2.gz IMXSZJLMNVTCHA-JKSUJKDBSA-N 0 3 322.399 3.192 20 30 DGEDHN C#CCOc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1 ZINC001656273260 1196025947 /nfs/dbraw/zinc/02/59/47/1196025947.db2.gz ZWGQBYQSWFQSTC-UHFFFAOYSA-N 0 3 323.421 3.440 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3cc(C)ccc3C)CC2)C1=O ZINC001656407518 1196036973 /nfs/dbraw/zinc/03/69/73/1196036973.db2.gz SQBDBOIDNANNKU-IBGZPJMESA-N 0 3 312.457 3.270 20 30 DGEDHN CCC[C@H](C)CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC001657041731 1196095846 /nfs/dbraw/zinc/09/58/46/1196095846.db2.gz KISFWKHKZQPYBY-INIZCTEOSA-N 0 3 300.450 3.292 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](OC)C1CCCCC1 ZINC001657082680 1196102584 /nfs/dbraw/zinc/10/25/84/1196102584.db2.gz HZFZVJRFVFQWHN-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001657095572 1196103859 /nfs/dbraw/zinc/10/38/59/1196103859.db2.gz DPRKQTIPEUIBLJ-MLBQELRYSA-N 0 3 324.896 3.395 20 30 DGEDHN N#CC1CCN(Cc2ccccc2-n2nnc3ccccc32)CC1 ZINC001657286985 1196127454 /nfs/dbraw/zinc/12/74/54/1196127454.db2.gz PYRMMTLISJVLAO-UHFFFAOYSA-N 0 3 317.396 3.156 20 30 DGEDHN N#Cc1cc(CNC[C@H](O)c2cc(F)cc(Cl)c2)cs1 ZINC001657294495 1196128333 /nfs/dbraw/zinc/12/83/33/1196128333.db2.gz COEWDZNELJEKGV-AWEZNQCLSA-N 0 3 310.781 3.235 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC001657324868 1196130377 /nfs/dbraw/zinc/13/03/77/1196130377.db2.gz WGVVVSGXJBHXRZ-MSOLQXFVSA-N 0 3 315.486 3.484 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC001657391357 1196136434 /nfs/dbraw/zinc/13/64/34/1196136434.db2.gz BUZGXCZYYALDHE-HNNXBMFYSA-N 0 3 307.393 3.312 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1COC2(CCCCC2)O1 ZINC001657971144 1196196835 /nfs/dbraw/zinc/19/68/35/1196196835.db2.gz DYJGWRNCZDWGKW-QGZVFWFLSA-N 0 3 305.418 3.386 20 30 DGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 ZINC001658037839 1196205983 /nfs/dbraw/zinc/20/59/83/1196205983.db2.gz LOYMVEPVZRYNIA-CQSZACIVSA-N 0 3 319.408 3.336 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC001659142123 1196351154 /nfs/dbraw/zinc/35/11/54/1196351154.db2.gz BHPNQZJOFTXCMI-LXPRWKDFSA-N 0 3 316.489 3.291 20 30 DGEDHN COC(=O)C1(c2ccc(CN3CCC[C@@H](CC#N)C3)cc2)CC1 ZINC001659394386 1196378554 /nfs/dbraw/zinc/37/85/54/1196378554.db2.gz HJVCHTWBJYBGEQ-HNNXBMFYSA-N 0 3 312.413 3.017 20 30 DGEDHN C#C[C@H](N[C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@H]12)c1ccc(Cl)cc1 ZINC001659929618 1196429589 /nfs/dbraw/zinc/42/95/89/1196429589.db2.gz MGMSERBHBAOZJW-XPYWIHLFSA-N 0 3 317.816 3.192 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC001660117673 1196448095 /nfs/dbraw/zinc/44/80/95/1196448095.db2.gz BIVSGISNJAJCKR-UWJYYQICSA-N 0 3 324.468 3.379 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cccc2c1CCCCC2 ZINC001660184259 1196455410 /nfs/dbraw/zinc/45/54/10/1196455410.db2.gz AQJRSXQLWGOSQC-UHFFFAOYSA-N 0 3 312.457 3.031 20 30 DGEDHN C#CCC1(NCc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC001660284491 1196466435 /nfs/dbraw/zinc/46/64/35/1196466435.db2.gz WXHOOMNGEWMQBR-UHFFFAOYSA-N 0 3 323.190 3.393 20 30 DGEDHN CC(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001660426151 1196482184 /nfs/dbraw/zinc/48/21/84/1196482184.db2.gz MOLZIDALDLHBFN-KBXCAEBGSA-N 0 3 318.848 3.071 20 30 DGEDHN C[C@]1(CN2CCN(c3ccc(F)cc3C#N)CC2)CCCS1 ZINC001660513498 1196492541 /nfs/dbraw/zinc/49/25/41/1196492541.db2.gz NNUFXMUCLDRLHH-QGZVFWFLSA-N 0 3 319.449 3.105 20 30 DGEDHN C#CCN(CCCNC(=O)c1occc1-c1ccccc1)C1CC1 ZINC001660703359 1196514165 /nfs/dbraw/zinc/51/41/65/1196514165.db2.gz BWPYBXSWFZTPDA-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN C=CCOCCCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001660814470 1196528988 /nfs/dbraw/zinc/52/89/88/1196528988.db2.gz KIWVFRSNTCHTDR-GOSISDBHSA-N 0 3 320.477 3.050 20 30 DGEDHN Cc1ccccc1CN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001660822019 1196529628 /nfs/dbraw/zinc/52/96/28/1196529628.db2.gz BCZWQVWSJNHBJW-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001661089769 1196564736 /nfs/dbraw/zinc/56/47/36/1196564736.db2.gz HGOKIRLWGSEOIN-WMZOPIPTSA-N 0 3 304.478 3.312 20 30 DGEDHN CC(C)CCC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001661105936 1196567264 /nfs/dbraw/zinc/56/72/64/1196567264.db2.gz AMGYWWVUVVWCSS-INIZCTEOSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1c(C)nsc1C)C1CC1 ZINC001661131873 1196571470 /nfs/dbraw/zinc/57/14/70/1196571470.db2.gz QCHWHEWKYFTKBG-MRXNPFEDSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CSC ZINC001661244654 1196587958 /nfs/dbraw/zinc/58/79/58/1196587958.db2.gz LOMHGYPCSXWDNM-QXSJWSMHSA-N 0 3 310.507 3.015 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001661262894 1196589748 /nfs/dbraw/zinc/58/97/48/1196589748.db2.gz XKHSMYFGIXNTGO-BHYGNILZSA-N 0 3 304.478 3.453 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001661267761 1196590323 /nfs/dbraw/zinc/59/03/23/1196590323.db2.gz UAEYGLRQYVFNLU-YESZJQIVSA-N 0 3 302.462 3.373 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001661266357 1196590789 /nfs/dbraw/zinc/59/07/89/1196590789.db2.gz AYQKEULORQOLNA-BMFAXAFESA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(F)(F)F ZINC001661276015 1196590981 /nfs/dbraw/zinc/59/09/81/1196590981.db2.gz PEBNLNKNGYVTHN-MELADBBJSA-N 0 3 318.383 3.216 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001661413468 1196603734 /nfs/dbraw/zinc/60/37/34/1196603734.db2.gz RPEWJQZRBSZEQS-SHTZXODSSA-N 0 3 322.811 3.019 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001661977409 1196669174 /nfs/dbraw/zinc/66/91/74/1196669174.db2.gz LMBIHSCNUICPPC-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCC(NCc2nccs2)CC1 ZINC001662129801 1196684386 /nfs/dbraw/zinc/68/43/86/1196684386.db2.gz CCCUFJYEOASTKI-UHFFFAOYSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001662303174 1196705013 /nfs/dbraw/zinc/70/50/13/1196705013.db2.gz IJDURGDATDJJRY-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2ccc(C)nc2C)CCC1 ZINC001662329057 1196709040 /nfs/dbraw/zinc/70/90/40/1196709040.db2.gz HSLAHQNTDFNFHL-HNNXBMFYSA-N 0 3 315.461 3.039 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H](C)NC/C=C\Cl)c1ccccc1 ZINC001662420245 1196719842 /nfs/dbraw/zinc/71/98/42/1196719842.db2.gz OFHNJEJOHOXAAL-PYLOOKDKSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001662680162 1196739406 /nfs/dbraw/zinc/73/94/06/1196739406.db2.gz IUSJQAYBJXGDNP-OXBCTQFSSA-N 0 3 305.249 3.100 20 30 DGEDHN C=CCCSCCNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC001662819881 1196755338 /nfs/dbraw/zinc/75/53/38/1196755338.db2.gz LXSWOIPFSCUYOJ-CYBMUJFWSA-N 0 3 307.459 3.418 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001662834537 1196759321 /nfs/dbraw/zinc/75/93/21/1196759321.db2.gz XHRGAXVHFGPIEZ-OEMHODTASA-N 0 3 324.468 3.282 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H](N(C)CC#CC)C2)CCCCC1 ZINC001662877942 1196766580 /nfs/dbraw/zinc/76/65/80/1196766580.db2.gz IWKZIHFJADTJHJ-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)c(C)s1 ZINC001663008154 1196783004 /nfs/dbraw/zinc/78/30/04/1196783004.db2.gz IFDHBZKRLFDHOB-LLVKDONJSA-N 0 3 300.855 3.215 20 30 DGEDHN CC(=O)NCCC[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC001663019245 1196783416 /nfs/dbraw/zinc/78/34/16/1196783416.db2.gz AMAURXQRWGBPFL-SFHVURJKSA-N 0 3 318.848 3.072 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)Cc1cccc(C(F)F)c1 ZINC001663377555 1196851265 /nfs/dbraw/zinc/85/12/65/1196851265.db2.gz VPGDQKIWVLHTFO-UHFFFAOYSA-N 0 3 322.399 3.222 20 30 DGEDHN CCN(CCNC(=O)CCC1(C)CC1)Cc1ccc(C#N)cc1 ZINC001663443517 1196870272 /nfs/dbraw/zinc/87/02/72/1196870272.db2.gz VGQDTPXQORKXOZ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCOCCN1CCC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001663527502 1196894366 /nfs/dbraw/zinc/89/43/66/1196894366.db2.gz DDOYNNKPKNPQFE-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cnc2ccccc2c1C ZINC001663672480 1196925341 /nfs/dbraw/zinc/92/53/41/1196925341.db2.gz QVWMSXGINAEILW-UHFFFAOYSA-N 0 3 323.440 3.008 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001663688589 1196928363 /nfs/dbraw/zinc/92/83/63/1196928363.db2.gz QJGVDVYCLAPDBL-UHFFFAOYSA-N 0 3 320.864 3.422 20 30 DGEDHN C#CCCCC(=O)NCCN([C@@H](C)c1ccc(F)cc1)C1CC1 ZINC001663718096 1196933912 /nfs/dbraw/zinc/93/39/12/1196933912.db2.gz DUQFCXCUKWBLID-HNNXBMFYSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C)cc(OC)c1C)C1CC1 ZINC001663734715 1196935739 /nfs/dbraw/zinc/93/57/39/1196935739.db2.gz DZXORPGPZJZSGA-UHFFFAOYSA-N 0 3 316.445 3.082 20 30 DGEDHN C=CCN(CCNC(=O)[C@@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC001663763237 1196942502 /nfs/dbraw/zinc/94/25/02/1196942502.db2.gz NSAXOSIFZLDLTB-FQEVSTJZSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1coc2ccccc12)C1CC1 ZINC001663763455 1196942533 /nfs/dbraw/zinc/94/25/33/1196942533.db2.gz VRJQXGUVPKAHHE-UHFFFAOYSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@]1(C)CCc2ccccc21)C1CC1 ZINC001663777029 1196944951 /nfs/dbraw/zinc/94/49/51/1196944951.db2.gz DXTHNCCIHHMKJZ-FQEVSTJZSA-N 0 3 312.457 3.047 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC001664574862 1197016086 /nfs/dbraw/zinc/01/60/86/1197016086.db2.gz VVDCFRTVBOVBPO-QGZVFWFLSA-N 0 3 314.404 3.254 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C(C)(C)C1CC1)c1ccccc1 ZINC001664587810 1197017770 /nfs/dbraw/zinc/01/77/70/1197017770.db2.gz HQMHFNVASYRQDX-QGZVFWFLSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@@H]1CCCC1(F)F)c1ccccc1 ZINC001664588116 1197018022 /nfs/dbraw/zinc/01/80/22/1197018022.db2.gz OQOLJRKMGORUCL-JKSUJKDBSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)C(F)(F)F)c1ccccc1 ZINC001664598755 1197019504 /nfs/dbraw/zinc/01/95/04/1197019504.db2.gz MPEWLUPNVCXEHM-ZDUSSCGKSA-N 0 3 314.351 3.208 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001664667369 1197029693 /nfs/dbraw/zinc/02/96/93/1197029693.db2.gz IYSTTYPSURWGFQ-HUUCEWRRSA-N 0 3 314.420 3.004 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001664667368 1197030385 /nfs/dbraw/zinc/03/03/85/1197030385.db2.gz IYSTTYPSURWGFQ-GJZGRUSLSA-N 0 3 314.420 3.004 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc(C)n(C)c2C)C1 ZINC001664687563 1197036736 /nfs/dbraw/zinc/03/67/36/1197036736.db2.gz TVPNIPYFIVACJW-KRWDZBQOSA-N 0 3 317.477 3.145 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001665069018 1197093789 /nfs/dbraw/zinc/09/37/89/1197093789.db2.gz NDDODTNOIMNWBU-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1CN(CCCC2CCCC2)C1 ZINC001665279792 1197118895 /nfs/dbraw/zinc/11/88/95/1197118895.db2.gz XBQMPRYVADYOOW-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1F ZINC001665396101 1197131309 /nfs/dbraw/zinc/13/13/09/1197131309.db2.gz DWGFJVYATFGLRU-QEJZJMRPSA-N 0 3 320.383 3.218 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)CCCCC1 ZINC001665433237 1197137224 /nfs/dbraw/zinc/13/72/24/1197137224.db2.gz UXDMSUGTWSCFFN-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001665490371 1197143303 /nfs/dbraw/zinc/14/33/03/1197143303.db2.gz AZDMJZOAQYWHKU-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001665605684 1197157228 /nfs/dbraw/zinc/15/72/28/1197157228.db2.gz JPYJQALGHNXBDC-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001665605684 1197157230 /nfs/dbraw/zinc/15/72/30/1197157230.db2.gz JPYJQALGHNXBDC-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(CCOCCC(C)C)C1 ZINC001665653757 1197165475 /nfs/dbraw/zinc/16/54/75/1197165475.db2.gz ULRXZIVYJGGWDC-KRWDZBQOSA-N 0 3 324.509 3.184 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)NCc1ccccc1Cl ZINC001665782748 1197195700 /nfs/dbraw/zinc/19/57/00/1197195700.db2.gz UAJPKFMWLLOSHN-HNNXBMFYSA-N 0 3 306.837 3.128 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1ccc(Cl)nc1 ZINC001665828323 1197203475 /nfs/dbraw/zinc/20/34/75/1197203475.db2.gz MPHCTKSVXFRXCE-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001665839252 1197205413 /nfs/dbraw/zinc/20/54/13/1197205413.db2.gz MQZBUWSEUPVJHK-GOSISDBHSA-N 0 3 316.420 3.018 20 30 DGEDHN N#CC1(CNC2CC(Sc3ccccc3)C2)CCOCC1 ZINC001665889585 1197211676 /nfs/dbraw/zinc/21/16/76/1197211676.db2.gz BXUAODZVMQZFEM-UHFFFAOYSA-N 0 3 302.443 3.220 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CCCC1 ZINC001665957041 1197221018 /nfs/dbraw/zinc/22/10/18/1197221018.db2.gz ULBXLYTWDBEWEO-GOEBONIOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC1 ZINC001666011555 1197227511 /nfs/dbraw/zinc/22/75/11/1197227511.db2.gz JOERKVAXYDGWSY-CKEIUWERSA-N 0 3 312.885 3.296 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001666287021 1197248623 /nfs/dbraw/zinc/24/86/23/1197248623.db2.gz MCCRKNLDNYYQBU-HDJSIYSDSA-N 0 3 321.490 3.262 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C=C2CCCCC2)cc1 ZINC001666330988 1197252952 /nfs/dbraw/zinc/25/29/52/1197252952.db2.gz OVGCBMCKSPHUHU-UHFFFAOYSA-N 0 3 310.441 3.306 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2c(C)nsc2C)C1 ZINC001666986804 1197305384 /nfs/dbraw/zinc/30/53/84/1197305384.db2.gz AOJFBFLYBRIYIO-GFCCVEGCSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H](C)CSC ZINC001667237676 1197331931 /nfs/dbraw/zinc/33/19/31/1197331931.db2.gz CBDIAGACGQXXMX-JSGCOSHPSA-N 0 3 318.914 3.099 20 30 DGEDHN CCCCC(=O)NC[C@H](NCc1ccc(C#N)cc1F)C(C)C ZINC001667434749 1197348243 /nfs/dbraw/zinc/34/82/43/1197348243.db2.gz FVPFMULMHHXASO-KRWDZBQOSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C2CC2)cn1)C(C)C ZINC001667513021 1197355916 /nfs/dbraw/zinc/35/59/16/1197355916.db2.gz NHYSTXHNVNSZAF-INIZCTEOSA-N 0 3 321.852 3.056 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc2ncccc2c1 ZINC001667540837 1197359814 /nfs/dbraw/zinc/35/98/14/1197359814.db2.gz JILJODOGHTUGOY-UHFFFAOYSA-N 0 3 311.429 3.091 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1ccc2cc[nH]c2c1 ZINC001667575690 1197364543 /nfs/dbraw/zinc/36/45/43/1197364543.db2.gz XOACFGYTBOTOEL-UHFFFAOYSA-N 0 3 313.445 3.414 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC001667643424 1197374556 /nfs/dbraw/zinc/37/45/56/1197374556.db2.gz PRSNQWNVVFRZCL-UHFFFAOYSA-N 0 3 302.443 3.400 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001668108127 1197400074 /nfs/dbraw/zinc/40/00/74/1197400074.db2.gz ZKCKFEBEQSDMDU-FPMFFAJLSA-N 0 3 312.866 3.089 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1c(C)noc1CC ZINC001668162156 1197402231 /nfs/dbraw/zinc/40/22/31/1197402231.db2.gz AHBGFOHHZNQKSU-CYBMUJFWSA-N 0 3 321.465 3.132 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCCCC1(F)F ZINC001668153110 1197402404 /nfs/dbraw/zinc/40/24/04/1197402404.db2.gz PPXDNVFQCPWQJT-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2ocnc2C)CCCC1 ZINC001668337421 1197410910 /nfs/dbraw/zinc/41/09/10/1197410910.db2.gz NGKRDEPWGBFUKN-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001668586588 1197420992 /nfs/dbraw/zinc/42/09/92/1197420992.db2.gz KUQONLBJDITYAN-IAGOWNOFSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001669020539 1197437581 /nfs/dbraw/zinc/43/75/81/1197437581.db2.gz DOBOJXRZOZBEGD-IHHMQQGQSA-N 0 3 318.436 3.498 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCC1CCC1 ZINC001669787808 1197482354 /nfs/dbraw/zinc/48/23/54/1197482354.db2.gz BBFIJZUBDFTFMW-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cnc(C)o1 ZINC001669955134 1197511233 /nfs/dbraw/zinc/51/12/33/1197511233.db2.gz GEDYNPPIRRWISJ-DOTOQJQBSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1c(C)noc1CC ZINC001670200739 1197525260 /nfs/dbraw/zinc/52/52/60/1197525260.db2.gz IBQAEIOQXQPDSR-UHFFFAOYSA-N 0 3 321.465 3.086 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001671638557 1197555568 /nfs/dbraw/zinc/55/55/68/1197555568.db2.gz SJJAJCJECKDRGC-RGFVMQALSA-N 0 3 310.441 3.084 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(C(F)F)cc2)CC1 ZINC001671857664 1197576136 /nfs/dbraw/zinc/57/61/36/1197576136.db2.gz CXCKCHQKWMZXKD-UHFFFAOYSA-N 0 3 320.383 3.089 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001671891346 1197581507 /nfs/dbraw/zinc/58/15/07/1197581507.db2.gz AQWZVTGEQVGRBB-LZLYRXPVSA-N 0 3 318.486 3.256 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001671915990 1197585128 /nfs/dbraw/zinc/58/51/28/1197585128.db2.gz CLPCYKWXDSBBIO-DNVCBOLYSA-N 0 3 318.436 3.334 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cnccc1C)c1ccccc1CC ZINC001672175832 1197594830 /nfs/dbraw/zinc/59/48/30/1197594830.db2.gz BGDZQDJXXGHRRA-LJQANCHMSA-N 0 3 323.440 3.199 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001672472892 1197612586 /nfs/dbraw/zinc/61/25/86/1197612586.db2.gz CIKIBEIBBCUVBC-RDJZCZTQSA-N 0 3 305.466 3.144 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2(CCF)CC2)cc1 ZINC001672943923 1197629981 /nfs/dbraw/zinc/62/99/81/1197629981.db2.gz UDDNDYSWJSDZKW-OAHLLOKOSA-N 0 3 316.420 3.117 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)c2ccco2)cc1 ZINC001672943200 1197630044 /nfs/dbraw/zinc/63/00/44/1197630044.db2.gz JOTXTTHOYPKXAN-HOTGVXAUSA-N 0 3 324.424 3.373 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)C3(CC)CC3)cccc2C1 ZINC001673079956 1197636736 /nfs/dbraw/zinc/63/67/36/1197636736.db2.gz WDGNJJKMUCZKEZ-UHFFFAOYSA-N 0 3 312.457 3.427 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC001673629906 1197681050 /nfs/dbraw/zinc/68/10/50/1197681050.db2.gz UTXRSXSIDWMDRG-HNAYVOBHSA-N 0 3 321.424 3.481 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@](C)(F)CCCC)C2 ZINC001673645612 1197683351 /nfs/dbraw/zinc/68/33/51/1197683351.db2.gz MAPQHEKFGIHQCF-RBUKOAKNSA-N 0 3 322.468 3.243 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)CCC)C2 ZINC001673639447 1197683677 /nfs/dbraw/zinc/68/36/77/1197683677.db2.gz JENOJSWLMUJWNY-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(CC)CC)C2 ZINC001673645658 1197684022 /nfs/dbraw/zinc/68/40/22/1197684022.db2.gz MVLYUGSYASMLLD-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001674034986 1197726127 /nfs/dbraw/zinc/72/61/27/1197726127.db2.gz ZXLCLSMJKZYHBO-FUHWJXTLSA-N 0 3 314.473 3.268 20 30 DGEDHN CCCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001674114715 1197731202 /nfs/dbraw/zinc/73/12/02/1197731202.db2.gz LUIOBVAPILJTFY-YJBOKZPZSA-N 0 3 313.445 3.218 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccccc1CC ZINC001674199298 1197745329 /nfs/dbraw/zinc/74/53/29/1197745329.db2.gz AAUSCRZLTRZRIY-AWEZNQCLSA-N 0 3 308.853 3.028 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)Cc1ccoc1 ZINC001674267251 1197754808 /nfs/dbraw/zinc/75/48/08/1197754808.db2.gz OXYAWAJLVWWNGN-LJQANCHMSA-N 0 3 324.424 3.114 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H](F)CC ZINC001674272017 1197755885 /nfs/dbraw/zinc/75/58/85/1197755885.db2.gz RGOASDSVJUVTHD-MSOLQXFVSA-N 0 3 318.436 3.416 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)C1CCCC1 ZINC001674429779 1197771773 /nfs/dbraw/zinc/77/17/73/1197771773.db2.gz WLNLORIOUMVORD-CWFSZBLJSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cccc(C(C)C)n1 ZINC001674641128 1197817824 /nfs/dbraw/zinc/81/78/24/1197817824.db2.gz RZUXSLPXSYJGEF-LSDHHAIUSA-N 0 3 303.450 3.154 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@H](C)NC(=O)C(C)(C)C ZINC001674759493 1197861653 /nfs/dbraw/zinc/86/16/53/1197861653.db2.gz DJKNLYCAMUEQIO-KBPBESRZSA-N 0 3 320.864 3.220 20 30 DGEDHN C[C@@H](CNC(=O)/C=C\C(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001674909500 1197913805 /nfs/dbraw/zinc/91/38/05/1197913805.db2.gz ZXPNKTLNDRPCLU-WOLCWHLNSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001675120372 1197988886 /nfs/dbraw/zinc/98/88/86/1197988886.db2.gz OYAPFWDJTPIJHH-KRWDZBQOSA-N 0 3 318.461 3.435 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](C)C1CN(CCCF)C1)c1ccccc1 ZINC001675364368 1198055066 /nfs/dbraw/zinc/05/50/66/1198055066.db2.gz UWENHVKTBXWSGA-YJBOKZPZSA-N 0 3 318.436 3.142 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)C(C)(C)C1 ZINC001675485468 1198078020 /nfs/dbraw/zinc/07/80/20/1198078020.db2.gz DTLPRLFZOOSWMK-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C(C)(C)C1 ZINC001675485467 1198078512 /nfs/dbraw/zinc/07/85/12/1198078512.db2.gz DTLPRLFZOOSWMK-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001675828005 1198148703 /nfs/dbraw/zinc/14/87/03/1198148703.db2.gz SDCVVDXOEDQILF-XEZPLFJOSA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1nc(Cl)cs1 ZINC001675958578 1198180691 /nfs/dbraw/zinc/18/06/91/1198180691.db2.gz HVUJGLHCEYTOSP-VIFPVBQESA-N 0 3 322.261 3.037 20 30 DGEDHN CCCCC(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001676034525 1198203526 /nfs/dbraw/zinc/20/35/26/1198203526.db2.gz UFQVSKBXWXYHKX-UHFFFAOYSA-N 0 3 312.457 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](CNCc1ccccn1)C1CC1 ZINC001676238815 1198256457 /nfs/dbraw/zinc/25/64/57/1198256457.db2.gz KHGKDKPUFIGPFY-QGZVFWFLSA-N 0 3 315.461 3.011 20 30 DGEDHN C[C@H](CN(C)C(=O)C1CCCCC1)NCc1ccc(C#N)s1 ZINC001676300713 1198280272 /nfs/dbraw/zinc/28/02/72/1198280272.db2.gz YQWFSFZEFNWABE-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1ccc(CCCC)cc1 ZINC001676382339 1198306820 /nfs/dbraw/zinc/30/68/20/1198306820.db2.gz UVMZEVSCALQZNY-KRWDZBQOSA-N 0 3 314.473 3.032 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001676492508 1198336384 /nfs/dbraw/zinc/33/63/84/1198336384.db2.gz HDNOZLXTVNCBQW-LBPRGKRZSA-N 0 3 318.804 3.160 20 30 DGEDHN C#CCN(C(=O)NCCCCCCCCC)C1CCN(C)CC1 ZINC001676566690 1198346401 /nfs/dbraw/zinc/34/64/01/1198346401.db2.gz IETCWYNHFLCLSV-UHFFFAOYSA-N 0 3 321.509 3.476 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)[C@H]1C ZINC001676632654 1198353312 /nfs/dbraw/zinc/35/33/12/1198353312.db2.gz 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DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2cc(F)ccc2C)C1 ZINC001754323314 1200213704 /nfs/dbraw/zinc/21/37/04/1200213704.db2.gz OVXXCHDPRDQLJZ-OAHLLOKOSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001754417436 1200257342 /nfs/dbraw/zinc/25/73/42/1200257342.db2.gz XZSOYXAOULOGES-NHAGDIPZSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754448923 1200267611 /nfs/dbraw/zinc/26/76/11/1200267611.db2.gz IOKLMQCFCDZNKS-FVECTHPASA-N 0 3 322.452 3.045 20 30 DGEDHN C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1CC ZINC001754478030 1200288251 /nfs/dbraw/zinc/28/82/51/1200288251.db2.gz OIEOQYADJIHDLK-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1CC ZINC001754478032 1200288891 /nfs/dbraw/zinc/28/88/91/1200288891.db2.gz OIEOQYADJIHDLK-WBVHZDCISA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001754493239 1200305954 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CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001690090811 1200394101 /nfs/dbraw/zinc/39/41/01/1200394101.db2.gz YIFCKSHMBWPQPU-FQEVSTJZSA-N 0 3 320.436 3.190 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001690092069 1200395065 /nfs/dbraw/zinc/39/50/65/1200395065.db2.gz UJBDWEOVUKRTET-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC001754628942 1200407208 /nfs/dbraw/zinc/40/72/08/1200407208.db2.gz LMCNZMOAJKQTDQ-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001690134319 1200413788 /nfs/dbraw/zinc/41/37/88/1200413788.db2.gz NGAOAGVDMAOOEB-ZIFCJYIRSA-N 0 3 316.489 3.478 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cc(C)co2)CC1 ZINC001690136673 1200416227 /nfs/dbraw/zinc/41/62/27/1200416227.db2.gz RSOCFGGFNRUQEY-UHFFFAOYSA-N 0 3 304.434 3.481 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001754658257 1200421681 /nfs/dbraw/zinc/42/16/81/1200421681.db2.gz 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C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001698838645 1201491990 /nfs/dbraw/zinc/49/19/90/1201491990.db2.gz WTPOSQABYCTRRZ-LLVKDONJSA-N 0 3 307.265 3.344 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001698853304 1201508379 /nfs/dbraw/zinc/50/83/79/1201508379.db2.gz XMVJLQXMROCXDK-HKUYNNGSSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001698924775 1201577195 /nfs/dbraw/zinc/57/71/95/1201577195.db2.gz CMHHTFRMELENPP-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN CCCCC(=O)NC[C@@H](NCc1cc(C#N)ccc1F)C(C)C ZINC001698959356 1201610617 /nfs/dbraw/zinc/61/06/17/1201610617.db2.gz HMFKDPNSEDIDCI-QGZVFWFLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1c(C)cc(C)cc1C ZINC001698993742 1201660095 /nfs/dbraw/zinc/66/00/95/1201660095.db2.gz BWDBWAVVCAETHB-UHFFFAOYSA-N 0 3 302.462 3.121 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1cccc(OC)c1C ZINC001698995298 1201662745 /nfs/dbraw/zinc/66/27/45/1201662745.db2.gz PAAXGACVXPNSNJ-UHFFFAOYSA-N 0 3 318.461 3.106 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](CC)Cc1ccccc1 ZINC001698997689 1201665271 /nfs/dbraw/zinc/66/52/71/1201665271.db2.gz VPBFIHNQZYVQCH-GOSISDBHSA-N 0 3 302.462 3.222 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](CC)Cc1ccccc1 ZINC001698997690 1201665347 /nfs/dbraw/zinc/66/53/47/1201665347.db2.gz VPBFIHNQZYVQCH-SFHVURJKSA-N 0 3 302.462 3.222 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)c(F)cc1F ZINC001699143850 1201727211 /nfs/dbraw/zinc/72/72/11/1201727211.db2.gz MWEWMDMKOSVVFH-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](F)c1ccccc1 ZINC001750933271 1201728952 /nfs/dbraw/zinc/72/89/52/1201728952.db2.gz MKJKWHNPAGPJPJ-IRXDYDNUSA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1CN(C)CC=C(C)C ZINC001750933566 1201730498 /nfs/dbraw/zinc/73/04/98/1201730498.db2.gz DEYLJZKKWZRNFC-MSOLQXFVSA-N 0 3 322.493 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2C)[C@H]1C ZINC001750937780 1201731306 /nfs/dbraw/zinc/73/13/06/1201731306.db2.gz WRIUMPHCALGEPR-SCTDSRPQSA-N 0 3 314.473 3.329 20 30 DGEDHN CCC[C@H](C)C(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001699171486 1201740284 /nfs/dbraw/zinc/74/02/84/1201740284.db2.gz ODSFHPUAGIMWGC-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001699359641 1201808197 /nfs/dbraw/zinc/80/81/97/1201808197.db2.gz NPTDRFVOTLQQDI-CQSZACIVSA-N 0 3 306.837 3.046 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@H]1CCCCC1(C)C)C1CC1 ZINC001752290384 1201822417 /nfs/dbraw/zinc/82/24/17/1201822417.db2.gz NDPVFALROYQHQR-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)[C@H](C)COC)CC1 ZINC001752440145 1201839188 /nfs/dbraw/zinc/83/91/88/1201839188.db2.gz TYDQCHBJJMAHMB-IAGOWNOFSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001752519555 1201868059 /nfs/dbraw/zinc/86/80/59/1201868059.db2.gz VMNDIPUVAXCACZ-AWEZNQCLSA-N 0 3 320.399 3.466 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001752670590 1201890894 /nfs/dbraw/zinc/89/08/94/1201890894.db2.gz ZWHXGCREPAYKHR-XYPYZODXSA-N 0 3 305.249 3.145 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001752768066 1201909949 /nfs/dbraw/zinc/90/99/49/1201909949.db2.gz CICZLAXTHMYBBJ-BMFZPTHFSA-N 0 3 320.864 3.478 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001752790295 1201926438 /nfs/dbraw/zinc/92/64/38/1201926438.db2.gz WNADSGYZYUBNTI-QZTJIDSGSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001752831646 1201956331 /nfs/dbraw/zinc/95/63/31/1201956331.db2.gz JXBSDDBPJNGSPN-RRBNNULLSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001699636249 1202002693 /nfs/dbraw/zinc/00/26/93/1202002693.db2.gz XWXIBOAKWDHNCJ-WMZOPIPTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001699640264 1202007252 /nfs/dbraw/zinc/00/72/52/1202007252.db2.gz VDEGXYNYHQDYQM-INIZCTEOSA-N 0 3 318.848 3.138 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CCCC)C(C)C)C2)C1 ZINC001699696834 1202038670 /nfs/dbraw/zinc/03/86/70/1202038670.db2.gz JMNYSNHWPSCGAX-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCCCCCC)C2)C1 ZINC001699707576 1202043365 /nfs/dbraw/zinc/04/33/65/1202043365.db2.gz YVPODBLBIXYWPX-LJQANCHMSA-N 0 3 304.478 3.295 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CC[C@@H](C)c3ccccc3)C2)C1 ZINC001699706238 1202043490 /nfs/dbraw/zinc/04/34/90/1202043490.db2.gz OZWPGYUYGZWKKP-NQIIRXRSSA-N 0 3 324.468 3.128 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001752996142 1202047485 /nfs/dbraw/zinc/04/74/85/1202047485.db2.gz JIJGDEUGUQCRGO-BNCSFYMNSA-N 0 3 324.468 3.426 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001753000937 1202049625 /nfs/dbraw/zinc/04/96/25/1202049625.db2.gz WNFQKCMLGXQESY-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2cccc(CC)c2)C1 ZINC001699811564 1202090328 /nfs/dbraw/zinc/09/03/28/1202090328.db2.gz KTQPHRIDYJNLCN-IBGZPJMESA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001699818032 1202095772 /nfs/dbraw/zinc/09/57/72/1202095772.db2.gz BYYPCTZHDOEUCN-ACJLOTCBSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001699827826 1202102754 /nfs/dbraw/zinc/10/27/54/1202102754.db2.gz ZXGYJZKOLRBCGA-BEFAXECRSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@](C)(CNCc2nccs2)C1 ZINC001699844198 1202109394 /nfs/dbraw/zinc/10/93/94/1202109394.db2.gz AYYVZQOZIQVIIH-QGZVFWFLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CC1(CC(=O)N[C@@]2(C)CCN(CCOCC)C2)CCCCC1 ZINC001699852791 1202113672 /nfs/dbraw/zinc/11/36/72/1202113672.db2.gz DTMDGYGXWPKTMQ-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001699876587 1202132837 /nfs/dbraw/zinc/13/28/37/1202132837.db2.gz GOYVSEFZZGFQRE-YJBOKZPZSA-N 0 3 304.434 3.178 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001699879301 1202135374 /nfs/dbraw/zinc/13/53/74/1202135374.db2.gz LONMDFJPAUBOFW-AVAKVYKDSA-N 0 3 304.478 3.361 20 30 DGEDHN Cc1ccc(CN2CCC[C@H]2CNC(=O)C#CC(C)C)cc1C ZINC001753104540 1202137352 /nfs/dbraw/zinc/13/73/52/1202137352.db2.gz GXAUDEIQFVJTMY-IBGZPJMESA-N 0 3 312.457 3.043 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccncc1)c1ccccc1CC ZINC001699931709 1202139384 /nfs/dbraw/zinc/13/93/84/1202139384.db2.gz FFBKOJPLKHQNPJ-IBGZPJMESA-N 0 3 323.440 3.281 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001753117462 1202147164 /nfs/dbraw/zinc/14/71/64/1202147164.db2.gz AYNNBWZWXGVZQH-MJGOQNOKSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001753118443 1202148221 /nfs/dbraw/zinc/14/82/21/1202148221.db2.gz IFBBYODRXGOVTP-ROUUACIJSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001753146375 1202162589 /nfs/dbraw/zinc/16/25/89/1202162589.db2.gz SQXPKEGKUJZDIZ-QZTJIDSGSA-N 0 3 304.478 3.054 20 30 DGEDHN CCCN(CCNC(=O)C(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC001753148796 1202168114 /nfs/dbraw/zinc/16/81/14/1202168114.db2.gz NFWQZNMNPPHQDR-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCC(=O)NCCN([C@@H](C)c1ccc(F)cc1)C1CC1 ZINC001753153218 1202169992 /nfs/dbraw/zinc/16/99/92/1202169992.db2.gz XBDNRCRJYPLHMW-AWEZNQCLSA-N 0 3 304.409 3.434 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(CC)cc2)C1 ZINC001700091460 1202177028 /nfs/dbraw/zinc/17/70/28/1202177028.db2.gz OWTXTOHDFIACDG-MRXNPFEDSA-N 0 3 320.864 3.443 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C=C\C(C)(C)C ZINC001700091974 1202177498 /nfs/dbraw/zinc/17/74/98/1202177498.db2.gz UICUFTHINRNGBX-SEYXRHQNSA-N 0 3 312.457 3.360 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)c2ccco2)cc1 ZINC001700094879 1202179491 /nfs/dbraw/zinc/17/94/91/1202179491.db2.gz OMXMIXMEHJAVDJ-JKSUJKDBSA-N 0 3 324.424 3.373 20 30 DGEDHN CC[C@@H](F)CN[C@H](C)c1ccc(CNC(=O)C#CC(C)C)cc1 ZINC001700096586 1202179832 /nfs/dbraw/zinc/17/98/32/1202179832.db2.gz WFHVYJZNVOPMGP-CRAIPNDOSA-N 0 3 318.436 3.361 20 30 DGEDHN CC[C@@H](F)CN[C@@H](C)c1ccc(CNC(=O)C#CC(C)C)cc1 ZINC001700096587 1202179915 /nfs/dbraw/zinc/17/99/15/1202179915.db2.gz WFHVYJZNVOPMGP-MAUKXSAKSA-N 0 3 318.436 3.361 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](C)c2ccc(Cl)s2)CCC1 ZINC001700142423 1202191138 /nfs/dbraw/zinc/19/11/38/1202191138.db2.gz VJTBWVJFQJSLHM-GFCCVEGCSA-N 0 3 324.877 3.157 20 30 DGEDHN CC#CCNC1(CNC(=O)C/C=C/c2ccc(C)cc2)CCC1 ZINC001700143595 1202191927 /nfs/dbraw/zinc/19/19/27/1202191927.db2.gz IVKTWMAHCLNJBK-FNORWQNLSA-N 0 3 310.441 3.050 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001700176427 1202195984 /nfs/dbraw/zinc/19/59/84/1202195984.db2.gz JKXUFILUBLPFSK-IYCSXQJISA-N 0 3 310.869 3.293 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccncc1)c1ccc(C(C)C)cc1 ZINC001753294220 1202198972 /nfs/dbraw/zinc/19/89/72/1202198972.db2.gz HSJZFGCWHUMBSP-IBGZPJMESA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1[nH]c(C)cc1C)c1ccccc1 ZINC001753300064 1202200284 /nfs/dbraw/zinc/20/02/84/1202200284.db2.gz NCLKULOSKJSRER-QGZVFWFLSA-N 0 3 311.429 3.268 20 30 DGEDHN C=CCCC(=O)N(C)CCCN(C)Cc1ccc(F)c(F)c1 ZINC001700183296 1202200631 /nfs/dbraw/zinc/20/06/31/1202200631.db2.gz LYUVISIAVSMTLJ-UHFFFAOYSA-N 0 3 310.388 3.211 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001700192097 1202206210 /nfs/dbraw/zinc/20/62/10/1202206210.db2.gz MQXGBMOVJSNUIN-LJQANCHMSA-N 0 3 317.477 3.273 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001753317513 1202206333 /nfs/dbraw/zinc/20/63/33/1202206333.db2.gz PHXGDYHJPZNNIY-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CCC(=O)N(CCC)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001753317298 1202206399 /nfs/dbraw/zinc/20/63/99/1202206399.db2.gz LHBQCPFDBZRBEG-ROUUACIJSA-N 0 3 322.493 3.225 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)C(CC)CC)C1 ZINC001753317976 1202206532 /nfs/dbraw/zinc/20/65/32/1202206532.db2.gz ZTBKJKIYSVVIQJ-AEFFLSMTSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001753317476 1202206980 /nfs/dbraw/zinc/20/69/80/1202206980.db2.gz OSBXFTQVEYRYBA-FCGDIQPGSA-N 0 3 316.489 3.478 20 30 DGEDHN C=C[C@@H](C(=O)N(CCC)[C@@H]1CCN(CC)C1)c1ccccc1 ZINC001753324155 1202210966 /nfs/dbraw/zinc/21/09/66/1202210966.db2.gz YJGITJLJCRLHPO-QZTJIDSGSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2cc(C)on2)CC1 ZINC001700220432 1202213105 /nfs/dbraw/zinc/21/31/05/1202213105.db2.gz UTHLPGNGTOPMOW-UHFFFAOYSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)/C=C(/C)CC ZINC001700227246 1202215662 /nfs/dbraw/zinc/21/56/62/1202215662.db2.gz MIHHEGCBVHTUQA-KVVHSQDJSA-N 0 3 312.457 3.462 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CCCC)C(C)C)C2 ZINC001700229191 1202217069 /nfs/dbraw/zinc/21/70/69/1202217069.db2.gz ILMZMWWILYNKJB-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2c(C)nsc2C)C1 ZINC001753345221 1202220510 /nfs/dbraw/zinc/22/05/10/1202220510.db2.gz GLIGZMPJAOYTQH-HNNXBMFYSA-N 0 3 321.490 3.006 20 30 DGEDHN C=C(Cl)CNCC1(c2ccccc2)CCN(C(=O)CC)CC1 ZINC001700295876 1202229002 /nfs/dbraw/zinc/22/90/02/1202229002.db2.gz HBPZJRMOWVYJCN-UHFFFAOYSA-N 0 3 320.864 3.299 20 30 DGEDHN C=CCCC(=O)N1CCC(CNCCF)(c2ccccc2)CC1 ZINC001700298716 1202230686 /nfs/dbraw/zinc/23/06/86/1202230686.db2.gz WCIKUTOIKXFRAG-UHFFFAOYSA-N 0 3 318.436 3.072 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(CC)Cc2ocnc2C)CC1 ZINC001700340161 1202241052 /nfs/dbraw/zinc/24/10/52/1202241052.db2.gz LJCVFGXOURLRSC-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCCCC(=O)NCC1CN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001753400977 1202241468 /nfs/dbraw/zinc/24/14/68/1202241468.db2.gz OWTTZVHEDQMRDH-MRXNPFEDSA-N 0 3 324.468 3.088 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001753445730 1202257239 /nfs/dbraw/zinc/25/72/39/1202257239.db2.gz QXLLRXASLYYNML-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCc2ccc(F)cc2)C1 ZINC001753445445 1202257814 /nfs/dbraw/zinc/25/78/14/1202257814.db2.gz MFSIEFWJEWOCDM-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1)CC ZINC001700389480 1202258912 /nfs/dbraw/zinc/25/89/12/1202258912.db2.gz ARGLHGKCVAKMRY-SJORKVTESA-N 0 3 312.457 3.267 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccc(C)s2)C1 ZINC001753450773 1202260211 /nfs/dbraw/zinc/26/02/11/1202260211.db2.gz TULMUCAJWZLNLR-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001700403496 1202263277 /nfs/dbraw/zinc/26/32/77/1202263277.db2.gz YNIGTXXAUYLYPE-CHWSQXEVSA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)COC2CCC(C)CC2)C1 ZINC001753463964 1202265061 /nfs/dbraw/zinc/26/50/61/1202265061.db2.gz LHBRCAQNEGNBSW-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001700414081 1202266629 /nfs/dbraw/zinc/26/66/29/1202266629.db2.gz PFCUCUKBOOSTIA-VXGBXAGGSA-N 0 3 307.463 3.039 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001700418149 1202267651 /nfs/dbraw/zinc/26/76/51/1202267651.db2.gz RCRGBQMOOYUSLM-SJORKVTESA-N 0 3 312.457 3.123 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1ccc(Cl)cc1F ZINC001753472064 1202267764 /nfs/dbraw/zinc/26/77/64/1202267764.db2.gz ZBUJWZLFWHSVCS-HNNXBMFYSA-N 0 3 324.827 3.123 20 30 DGEDHN C=CCCC(=O)N(C)CC(C)(C)CNCc1nc(C)sc1C ZINC001700439175 1202272954 /nfs/dbraw/zinc/27/29/54/1202272954.db2.gz PRDPZQFFCHFCLZ-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1c(C)nsc1C ZINC001753490012 1202273252 /nfs/dbraw/zinc/27/32/52/1202273252.db2.gz OHKIDTOYKLCKCY-WMLDXEAASA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001700447254 1202274898 /nfs/dbraw/zinc/27/48/98/1202274898.db2.gz QBLRGIFBPIEHDY-YOEHRIQHSA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001700447251 1202275118 /nfs/dbraw/zinc/27/51/18/1202275118.db2.gz QBLRGIFBPIEHDY-PBHICJAKSA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccco2)CCCC[C@@H]1C ZINC001753529816 1202284187 /nfs/dbraw/zinc/28/41/87/1202284187.db2.gz KVVAKLIIXCIQOB-BLLLJJGKSA-N 0 3 310.825 3.300 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C2CC=CC2)CCCC[C@H]1C ZINC001753532615 1202285180 /nfs/dbraw/zinc/28/51/80/1202285180.db2.gz TYRAUJJPYJOXAG-DYVFJYSZSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2cc(C)ccc2s1 ZINC001700480060 1202290743 /nfs/dbraw/zinc/29/07/43/1202290743.db2.gz CJMPTRJCPGNEOZ-ZDUSSCGKSA-N 0 3 302.443 3.446 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(Cl)ccc1Cl ZINC001700484818 1202293977 /nfs/dbraw/zinc/29/39/77/1202293977.db2.gz SEBVMJOTAIVRBG-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001700526924 1202305645 /nfs/dbraw/zinc/30/56/45/1202305645.db2.gz KQOUORIETJITJZ-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CC1(C)CCCCC1 ZINC001700529302 1202306027 /nfs/dbraw/zinc/30/60/27/1202306027.db2.gz SKLTXDJPUZMBEX-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001753673469 1202310923 /nfs/dbraw/zinc/31/09/23/1202310923.db2.gz KFCGCSOCMSARQS-UHFFFAOYSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H](C)C1CN(CC(=C)C)C1)c1ccccc1 ZINC001700548966 1202311666 /nfs/dbraw/zinc/31/16/66/1202311666.db2.gz FKAPMDMENLUEIU-VQIMIIECSA-N 0 3 312.457 3.359 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](CC)CC2CCCC2)C(C)(C)C1 ZINC001700576827 1202318585 /nfs/dbraw/zinc/31/85/85/1202318585.db2.gz SPYKJTBIRLBIMJ-MSOLQXFVSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)(F)F)C[C@H]2C1 ZINC001700614413 1202321800 /nfs/dbraw/zinc/32/18/00/1202321800.db2.gz FWTPKBDFZAYRBX-RWMBFGLXSA-N 0 3 320.811 3.001 20 30 DGEDHN CC(C)C[C@H](CNCc1ccccc1Cl)NC(=O)[C@@H](C)C#N ZINC001753732496 1202323599 /nfs/dbraw/zinc/32/35/99/1202323599.db2.gz ICHGKFWVMYYYJI-DZGCQCFKSA-N 0 3 321.852 3.120 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001700643346 1202328019 /nfs/dbraw/zinc/32/80/19/1202328019.db2.gz HSCVXNSNPKPFQN-SHTZXODSSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1ccc(C)cc1 ZINC001700663106 1202330866 /nfs/dbraw/zinc/33/08/66/1202330866.db2.gz BYBAQAYIVKHEFF-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN CC(C)[C@H](CNC(=O)CC(C)(C)C)NCC#Cc1ccccc1 ZINC001753825276 1202342255 /nfs/dbraw/zinc/34/22/55/1202342255.db2.gz UYOBCZVEVMYHBW-SFHVURJKSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1csc(C)c1C)C(C)C ZINC001753831286 1202343760 /nfs/dbraw/zinc/34/37/60/1202343760.db2.gz QTMKWWRAEDFFGG-AWEZNQCLSA-N 0 3 314.882 3.461 20 30 DGEDHN Cc1cccc(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)c1 ZINC001700738051 1202345482 /nfs/dbraw/zinc/34/54/82/1202345482.db2.gz QFXXZECHBFMXDI-SFHVURJKSA-N 0 3 320.436 3.097 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001700765208 1202350606 /nfs/dbraw/zinc/35/06/06/1202350606.db2.gz OCTSCQAXTDRPAW-KBPBESRZSA-N 0 3 319.474 3.159 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001700766871 1202351257 /nfs/dbraw/zinc/35/12/57/1202351257.db2.gz IHACEHOIULXXEC-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001700776467 1202353208 /nfs/dbraw/zinc/35/32/08/1202353208.db2.gz QUYYFWHCAQEYRG-HWWITLHISA-N 0 3 316.489 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001700817203 1202355501 /nfs/dbraw/zinc/35/55/01/1202355501.db2.gz CJQMHBCCQPQKRT-PKOBYXMFSA-N 0 3 324.468 3.219 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001700845337 1202358249 /nfs/dbraw/zinc/35/82/49/1202358249.db2.gz ZCJSFEJABQNQSR-GDBMZVCRSA-N 0 3 323.440 3.001 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCOCCCC)[C@H]1C ZINC001700880954 1202364597 /nfs/dbraw/zinc/36/45/97/1202364597.db2.gz NPMASTYFNQPGIZ-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001700915647 1202369755 /nfs/dbraw/zinc/36/97/55/1202369755.db2.gz HHCSHIGBWIMXJS-YYRKOSNBSA-N 0 3 310.869 3.334 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001700946281 1202372092 /nfs/dbraw/zinc/37/20/92/1202372092.db2.gz YSNNZWSHBLSWRW-HOTGVXAUSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCN(C)CCN(C(=O)CC1(C(F)(F)F)CC1)C(C)C ZINC001700977351 1202375279 /nfs/dbraw/zinc/37/52/79/1202375279.db2.gz NEMJWCSOFGKORJ-UHFFFAOYSA-N 0 3 306.372 3.074 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001701007756 1202380206 /nfs/dbraw/zinc/38/02/06/1202380206.db2.gz PCZCCHKCDXGYIE-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CCCC2CCCC2)CC1 ZINC001701011788 1202380909 /nfs/dbraw/zinc/38/09/09/1202380909.db2.gz GRIUHOFMJQBBCM-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC001701011940 1202381131 /nfs/dbraw/zinc/38/11/31/1202381131.db2.gz XBDJWRXZHBNIDB-FTRWYGJKSA-N 0 3 318.505 3.299 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C/C=C(\C)C=C)CC[C@@H]1C(F)(F)F ZINC001701015373 1202381634 /nfs/dbraw/zinc/38/16/34/1202381634.db2.gz RMJIJZXXAOFXND-GNZFURHMSA-N 0 3 316.367 3.064 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C/C=C(\C)C=C)CC[C@H]1C(F)(F)F ZINC001701015372 1202381864 /nfs/dbraw/zinc/38/18/64/1202381864.db2.gz RMJIJZXXAOFXND-BARLUBHISA-N 0 3 316.367 3.064 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001701018147 1202381986 /nfs/dbraw/zinc/38/19/86/1202381986.db2.gz YNHXFRBSQQJNMR-IVMQYODDSA-N 0 3 312.457 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001707052612 1202569692 /nfs/dbraw/zinc/56/96/92/1202569692.db2.gz WDINSOXIWULEPK-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C1CCC2(CC2)CC1 ZINC001707271737 1202579685 /nfs/dbraw/zinc/57/96/85/1202579685.db2.gz NMTTWGLAIZRRKE-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001707418476 1202583881 /nfs/dbraw/zinc/58/38/81/1202583881.db2.gz QUYIYBJVSBHMBG-IBGZPJMESA-N 0 3 314.473 3.278 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1CC(F)(F)C1 ZINC001707429195 1202584281 /nfs/dbraw/zinc/58/42/81/1202584281.db2.gz ARAYAQVERZNAGK-DGCLKSJQSA-N 0 3 320.811 3.143 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1coc(C)c1 ZINC001707445271 1202585270 /nfs/dbraw/zinc/58/52/70/1202585270.db2.gz HIVWDSRGLFOTGJ-UHFFFAOYSA-N 0 3 324.424 3.082 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001724179938 1202597466 /nfs/dbraw/zinc/59/74/66/1202597466.db2.gz RSPIMNFELMCPQC-QFBILLFUSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001713061634 1202613868 /nfs/dbraw/zinc/61/38/68/1202613868.db2.gz WWSKWTLNLSLOSZ-AWEZNQCLSA-N 0 3 306.475 3.471 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(CC)cc2)C1 ZINC001713064279 1202614608 /nfs/dbraw/zinc/61/46/08/1202614608.db2.gz AZQHEPPXTQXUEZ-LJQANCHMSA-N 0 3 314.473 3.338 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CN(C)Cc2cnc(C)s2)C1 ZINC001713128038 1202619518 /nfs/dbraw/zinc/61/95/18/1202619518.db2.gz JPFSTOKIHUJVDK-OAHLLOKOSA-N 0 3 321.490 3.088 20 30 DGEDHN CC(C)(CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1CC1 ZINC001713158779 1202622948 /nfs/dbraw/zinc/62/29/48/1202622948.db2.gz XMBIBZYORJTVQN-WGSAOQKQSA-N 0 3 324.468 3.101 20 30 DGEDHN C[C@]1(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC=CCC1 ZINC001713161450 1202622986 /nfs/dbraw/zinc/62/29/86/1202622986.db2.gz VVPWWIKZFWEUIU-ZJOUEHCJSA-N 0 3 322.452 3.021 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001713197959 1202625928 /nfs/dbraw/zinc/62/59/28/1202625928.db2.gz FPEPCXWHWBRFPP-OKILXGFUSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1sccc1F ZINC001713251202 1202631199 /nfs/dbraw/zinc/63/11/99/1202631199.db2.gz FZYWZPNEWFPHCA-ZDUSSCGKSA-N 0 3 310.438 3.438 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C[C@H]1CCCCO1 ZINC001713251922 1202631367 /nfs/dbraw/zinc/63/13/67/1202631367.db2.gz NVVUGJHHKGUKNV-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1scnc1CC ZINC001713253509 1202631657 /nfs/dbraw/zinc/63/16/57/1202631657.db2.gz RYHOKBJYIQDSJJ-CQSZACIVSA-N 0 3 321.490 3.256 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCCN2CCOCCCC)C1 ZINC001713257799 1202632459 /nfs/dbraw/zinc/63/24/59/1202632459.db2.gz KBFJCCAAPNGYSV-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CSCCC ZINC001713269715 1202633497 /nfs/dbraw/zinc/63/34/97/1202633497.db2.gz JEDMNMBZFOGBKA-CVEARBPZSA-N 0 3 310.507 3.161 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc(Cl)sc1Cl ZINC001713455519 1202652565 /nfs/dbraw/zinc/65/25/65/1202652565.db2.gz DLXMEHRHINIRAM-UHFFFAOYSA-N 0 3 307.246 3.293 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001713467895 1202654190 /nfs/dbraw/zinc/65/41/90/1202654190.db2.gz DQCGBFHWBHVABL-QGZVFWFLSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1CCOC1CCCCCC1 ZINC001713500800 1202661011 /nfs/dbraw/zinc/66/10/11/1202661011.db2.gz OVSMXHFNYYZERE-QGZVFWFLSA-N 0 3 322.493 3.273 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001713504821 1202661697 /nfs/dbraw/zinc/66/16/97/1202661697.db2.gz QBLRBOBNYZJQIA-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001713517779 1202663842 /nfs/dbraw/zinc/66/38/42/1202663842.db2.gz QIXWSDOAYAKDOL-QWHCGFSZSA-N 0 3 324.877 3.109 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001713534029 1202666056 /nfs/dbraw/zinc/66/60/56/1202666056.db2.gz OIXLUIUKDUDCGA-NVXWUHKLSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001713538203 1202666646 /nfs/dbraw/zinc/66/66/46/1202666646.db2.gz GQMOTTQHZAWJQA-FUHWJXTLSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)CCc1cccc(Cl)c1 ZINC001713548561 1202668459 /nfs/dbraw/zinc/66/84/59/1202668459.db2.gz MQNDNFWIJBZLSS-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2ccccc2nc1C)C1CC1 ZINC001713557239 1202670260 /nfs/dbraw/zinc/67/02/60/1202670260.db2.gz FJIRZBJTYHQJOF-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2cnc(C)s2)CCCC1 ZINC001713671294 1202675758 /nfs/dbraw/zinc/67/57/58/1202675758.db2.gz AJTWALTTYGPMFP-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC12CC2)c1ccc(C(C)C)cc1 ZINC001713698672 1202678465 /nfs/dbraw/zinc/67/84/65/1202678465.db2.gz QPNVUNMHQKSZPW-RTBURBONSA-N 0 3 324.468 3.380 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cccc(F)c1C)c1ccccc1 ZINC001713702273 1202678845 /nfs/dbraw/zinc/67/88/45/1202678845.db2.gz IWIFEXNPRLCWKX-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cccc(C)c1F)c1ccccc1 ZINC001713703106 1202679033 /nfs/dbraw/zinc/67/90/33/1202679033.db2.gz WJKTXLMQKNYQRJ-SFHVURJKSA-N 0 3 324.399 3.218 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC2CC(C)(C)C2)C1 ZINC001713718346 1202680950 /nfs/dbraw/zinc/68/09/50/1202680950.db2.gz FEAYHZPLRRXTIT-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001713792305 1202691424 /nfs/dbraw/zinc/69/14/24/1202691424.db2.gz YKORGCMCDINBKB-OALUTQOASA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001713832267 1202693660 /nfs/dbraw/zinc/69/36/60/1202693660.db2.gz NSYCRSGIAZFNPX-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)oc2C)CC1 ZINC001713853187 1202695831 /nfs/dbraw/zinc/69/58/31/1202695831.db2.gz DSYMCVWIRGHDRZ-UHFFFAOYSA-N 0 3 304.434 3.399 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001713858719 1202696523 /nfs/dbraw/zinc/69/65/23/1202696523.db2.gz SYQYVDXRPRPVFI-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1cnc(C)s1)C1CC1 ZINC001713877185 1202698087 /nfs/dbraw/zinc/69/80/87/1202698087.db2.gz USIVHYKBWGLXTG-WBVHZDCISA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001713903596 1202701015 /nfs/dbraw/zinc/70/10/15/1202701015.db2.gz ZKVPUCPNZJZSSJ-XLAORIBOSA-N 0 3 302.462 3.373 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001713905195 1202701151 /nfs/dbraw/zinc/70/11/51/1202701151.db2.gz OKDHEXKLBLBLGJ-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN CC#CCCCC(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001713914169 1202701807 /nfs/dbraw/zinc/70/18/07/1202701807.db2.gz PMWSNBIVDZPDHN-UHFFFAOYSA-N 0 3 324.468 3.306 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CC/C=C/c2ccccc2)C1 ZINC001713914396 1202701926 /nfs/dbraw/zinc/70/19/26/1202701926.db2.gz UOLFUTCELICHKF-XYOKQWHBSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C[C@@H](C(=O)NCC1CN(CC/C=C\CC)C1)c1ccccc1 ZINC001713925861 1202702828 /nfs/dbraw/zinc/70/28/28/1202702828.db2.gz PBYCTXMCJXOXAX-SFFCAUCYSA-N 0 3 312.457 3.361 20 30 DGEDHN C=C[C@H](C(=O)NCC1CN(CC/C=C/CC)C1)c1ccccc1 ZINC001713925862 1202702868 /nfs/dbraw/zinc/70/28/68/1202702868.db2.gz PBYCTXMCJXOXAX-UEKDZROGSA-N 0 3 312.457 3.361 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\CC ZINC001713934799 1202703563 /nfs/dbraw/zinc/70/35/63/1202703563.db2.gz GUZPJPWFKMOHGY-KPEQBVIASA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccc(F)cc1 ZINC001713937474 1202703736 /nfs/dbraw/zinc/70/37/36/1202703736.db2.gz NZLAFLTWSSFSQC-ROUUACIJSA-N 0 3 316.420 3.010 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C=C)c1ccccc1 ZINC001713942101 1202704301 /nfs/dbraw/zinc/70/43/01/1202704301.db2.gz VUYPKCQTFWAVLO-NEWSRXKRSA-N 0 3 310.441 3.208 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H]1C[C@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001713967349 1202709681 /nfs/dbraw/zinc/70/96/81/1202709681.db2.gz UBQUWDYWKDGWTQ-BRWVUGGUSA-N 0 3 318.848 3.336 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001713981628 1202714581 /nfs/dbraw/zinc/71/45/81/1202714581.db2.gz BTLNBHMBHUFGNV-OKILXGFUSA-N 0 3 310.800 3.182 20 30 DGEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC001714032766 1202741429 /nfs/dbraw/zinc/74/14/29/1202741429.db2.gz MNWDTWNZMDKOFV-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001714044712 1202748091 /nfs/dbraw/zinc/74/80/91/1202748091.db2.gz BJIJUVPMILILPC-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccccc2)C1 ZINC001714049874 1202752041 /nfs/dbraw/zinc/75/20/41/1202752041.db2.gz LZPBGTAODKCITJ-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN CC[C@@H](CNC(=O)[C@H](C)C1CCC1)NCc1ccc(C#N)s1 ZINC001714082117 1202765835 /nfs/dbraw/zinc/76/58/35/1202765835.db2.gz HTJWYFCYDKCVLC-OCCSQVGLSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001714104593 1202779003 /nfs/dbraw/zinc/77/90/03/1202779003.db2.gz SQCZPINLLLAJJJ-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCCN1C[C@H]1CC(C)(C)CO1 ZINC001714111355 1202783218 /nfs/dbraw/zinc/78/32/18/1202783218.db2.gz WZTBJGKIFUWHBS-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCCN1C[C@@H]1CC(C)(C)CO1 ZINC001714111357 1202783477 /nfs/dbraw/zinc/78/34/77/1202783477.db2.gz WZTBJGKIFUWHBS-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CCCCC(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC001714122489 1202790114 /nfs/dbraw/zinc/79/01/14/1202790114.db2.gz VKVAAQHTGXMJAK-AWEZNQCLSA-N 0 3 319.474 3.281 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC=C ZINC001714143713 1202798532 /nfs/dbraw/zinc/79/85/32/1202798532.db2.gz GEJZTBXLNPUOEJ-SJORKVTESA-N 0 3 302.462 3.067 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)s2)cc1 ZINC001714317841 1202879563 /nfs/dbraw/zinc/87/95/63/1202879563.db2.gz AHSOZHVYONIPRV-UHFFFAOYSA-N 0 3 312.438 3.099 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)CC(C)(C)CC(F)F)cc1 ZINC001714320140 1202880732 /nfs/dbraw/zinc/88/07/32/1202880732.db2.gz GUKKIIBBHOPCEQ-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2(C3CCCCC3)CC2)cc1 ZINC001714323267 1202882546 /nfs/dbraw/zinc/88/25/46/1202882546.db2.gz YYJKGRZHECLULP-UHFFFAOYSA-N 0 3 324.468 3.386 20 30 DGEDHN C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001714337700 1202888471 /nfs/dbraw/zinc/88/84/71/1202888471.db2.gz NCMRUQOYQKWKPK-MRXNPFEDSA-N 0 3 316.445 3.190 20 30 DGEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@@H](C)C(C)(C)C ZINC001714405985 1202915230 /nfs/dbraw/zinc/91/52/30/1202915230.db2.gz VTNACQROTPKCNL-HUUCEWRRSA-N 0 3 315.461 3.082 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001714408866 1202916483 /nfs/dbraw/zinc/91/64/83/1202916483.db2.gz YIBSPDNJTLLMAM-KGLIPLIRSA-N 0 3 307.463 3.016 20 30 DGEDHN C[C@H](CCNC(=O)C1CCCCC1)NCc1ccccc1C#N ZINC001714456123 1202944739 /nfs/dbraw/zinc/94/47/39/1202944739.db2.gz LUEIGHJPONTPOF-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCC[C@@H](C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001714459843 1202948092 /nfs/dbraw/zinc/94/80/92/1202948092.db2.gz JJPJASFXHBUUCW-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1cccc(Cl)c1F ZINC001714561445 1203005304 /nfs/dbraw/zinc/00/53/04/1203005304.db2.gz DXVKVIKZOHJXKO-GFCCVEGCSA-N 0 3 312.816 3.382 20 30 DGEDHN CCN(CCNC(=O)C(C)(CC)CC)Cc1ccc(C#N)cc1 ZINC001714601185 1203040915 /nfs/dbraw/zinc/04/09/15/1203040915.db2.gz ZZXOSFCHKJLDIO-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC001714665679 1203089030 /nfs/dbraw/zinc/08/90/30/1203089030.db2.gz OJRCELPBBVLSFT-MSOLQXFVSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001714744067 1203114466 /nfs/dbraw/zinc/11/44/66/1203114466.db2.gz BHMBUUQSXZXAGD-CXAGYDPISA-N 0 3 323.868 3.274 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001714747515 1203116850 /nfs/dbraw/zinc/11/68/50/1203116850.db2.gz OFAAAFZLPMPKNI-GOSISDBHSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001714768195 1203121512 /nfs/dbraw/zinc/12/15/12/1203121512.db2.gz ZZSHCTFBAQSFHF-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001714777258 1203123582 /nfs/dbraw/zinc/12/35/82/1203123582.db2.gz QFRYTJVBSVISOQ-NSHDSACASA-N 0 3 307.265 3.344 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](CC)SC)c1ccccc1 ZINC001714837413 1203145611 /nfs/dbraw/zinc/14/56/11/1203145611.db2.gz RZEYOFXCXJXPQL-HZPDHXFCSA-N 0 3 306.475 3.151 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc(C)cs1)c1ccccc1 ZINC001714837469 1203146550 /nfs/dbraw/zinc/14/65/50/1203146550.db2.gz TUOSNAZDDGLSKD-MRXNPFEDSA-N 0 3 312.438 3.141 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NC[C@H](C)OC)c1ccccc1 ZINC001714839897 1203147605 /nfs/dbraw/zinc/14/76/05/1203147605.db2.gz TWESOMLTBYBFOK-RDJZCZTQSA-N 0 3 318.461 3.071 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)c1cccnc1)c1ccccc1 ZINC001714849565 1203150684 /nfs/dbraw/zinc/15/06/84/1203150684.db2.gz QSMRDESGWDIZQN-APWZRJJASA-N 0 3 323.440 3.208 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C[C@H](C)c1ccco1)c1ccccc1 ZINC001714850671 1203151367 /nfs/dbraw/zinc/15/13/67/1203151367.db2.gz VUGHGAPSCRBJFQ-WMZOPIPTSA-N 0 3 324.424 3.244 20 30 DGEDHN CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001714857428 1203156389 /nfs/dbraw/zinc/15/63/89/1203156389.db2.gz VVOVGYAZZNDRFJ-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccsc2Cl)C1 ZINC001714871409 1203167713 /nfs/dbraw/zinc/16/77/13/1203167713.db2.gz JWYDTWFDVIHXSL-ZDUSSCGKSA-N 0 3 324.877 3.351 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cc(C)ns1)CC(C)C ZINC001714925909 1203203938 /nfs/dbraw/zinc/20/39/38/1203203938.db2.gz GPNZQEJWNAHKJP-AWEZNQCLSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001714966471 1203219503 /nfs/dbraw/zinc/21/95/03/1203219503.db2.gz ZFTGPFIPTUCTOO-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCc2ccccc21 ZINC001714985679 1203226389 /nfs/dbraw/zinc/22/63/89/1203226389.db2.gz PJYBBZQWVJKPNO-FHWLQOOXSA-N 0 3 324.468 3.358 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001715000836 1203231635 /nfs/dbraw/zinc/23/16/35/1203231635.db2.gz FWZVJPHRTSWJKI-PKOBYXMFSA-N 0 3 300.446 3.022 20 30 DGEDHN CN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001715012166 1203236879 /nfs/dbraw/zinc/23/68/79/1203236879.db2.gz ONWUNKPMSGPIIP-IBGZPJMESA-N 0 3 322.452 3.010 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2sc(C)cc2C)C1 ZINC001715042198 1203250481 /nfs/dbraw/zinc/25/04/81/1203250481.db2.gz AQELOZJRBZEOGW-HNNXBMFYSA-N 0 3 306.475 3.016 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccoc1C1CC1)C1CC1 ZINC001715119790 1203278087 /nfs/dbraw/zinc/27/80/87/1203278087.db2.gz VDXAJAWWMKNPMQ-KRWDZBQOSA-N 0 3 322.836 3.398 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1cc(O)ccc1Cl ZINC001715244363 1203302640 /nfs/dbraw/zinc/30/26/40/1203302640.db2.gz IRBYRYZAZDRTIZ-GFCCVEGCSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2cccc(F)c2)CCCC1 ZINC001715308788 1203312296 /nfs/dbraw/zinc/31/22/96/1203312296.db2.gz XAYRCQOHQNNGNJ-UHFFFAOYSA-N 0 3 324.827 3.139 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H](C)C(F)(F)F)CC2 ZINC001715315529 1203313746 /nfs/dbraw/zinc/31/37/46/1203313746.db2.gz OEPGXCHFBSVSLZ-ZDUSSCGKSA-N 0 3 318.383 3.075 20 30 DGEDHN CCC(CC)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001715320015 1203315056 /nfs/dbraw/zinc/31/50/56/1203315056.db2.gz CTUSJLWRXKSXFP-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cn(C(C)C)nc1C ZINC001715342260 1203319993 /nfs/dbraw/zinc/31/99/93/1203319993.db2.gz UULIBQOTVXPDRC-OAHLLOKOSA-N 0 3 320.481 3.065 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001715359255 1203323896 /nfs/dbraw/zinc/32/38/96/1203323896.db2.gz KQVCBRMDPUOKTJ-KDOFPFPSSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cscn2)[C@H](C)C1 ZINC001715421692 1203338799 /nfs/dbraw/zinc/33/87/99/1203338799.db2.gz ZTJQWQMTUHBHNP-UKRRQHHQSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C(F)=C1CCCC1)C(C)C ZINC001715486512 1203350051 /nfs/dbraw/zinc/35/00/51/1203350051.db2.gz DBTWPLCNRVZWHM-CYBMUJFWSA-N 0 3 302.821 3.267 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001715516206 1203358597 /nfs/dbraw/zinc/35/85/97/1203358597.db2.gz RLPJFEANMPWVFF-QGZVFWFLSA-N 0 3 304.409 3.169 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1cccc(Cl)c1 ZINC001715527222 1203362202 /nfs/dbraw/zinc/36/22/02/1203362202.db2.gz MDQFQLFRJTWMMF-UHFFFAOYSA-N 0 3 308.853 3.239 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C ZINC001715588911 1203373339 /nfs/dbraw/zinc/37/33/39/1203373339.db2.gz QVYUKJUNRPUZNG-LBPRGKRZSA-N 0 3 307.265 3.392 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001715853739 1203397775 /nfs/dbraw/zinc/39/77/75/1203397775.db2.gz PUSIVTQUFDAIMF-WAYWQWQTSA-N 0 3 304.409 3.190 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001715942645 1203407950 /nfs/dbraw/zinc/40/79/50/1203407950.db2.gz AUZHXWDEONGLPJ-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001715949150 1203409357 /nfs/dbraw/zinc/40/93/57/1203409357.db2.gz DOCIFXAQKQXTLN-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN[C@H](CC)c1ccc(F)cc1F ZINC001715974225 1203414401 /nfs/dbraw/zinc/41/44/01/1203414401.db2.gz VZHRGHJNSWHNKG-SUMWQHHRSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)n(CC2CC2)c1C ZINC001715995418 1203418024 /nfs/dbraw/zinc/41/80/24/1203418024.db2.gz JVSFOURFPVRVBE-UHFFFAOYSA-N 0 3 317.477 3.095 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001716024108 1203426381 /nfs/dbraw/zinc/42/63/81/1203426381.db2.gz PKQSODTYRQBBQZ-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1cscn1 ZINC001716066514 1203437931 /nfs/dbraw/zinc/43/79/31/1203437931.db2.gz HAGPDIFVPYQYEI-HIFRSBDPSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC001716067832 1203438295 /nfs/dbraw/zinc/43/82/95/1203438295.db2.gz RVORNRCLHMUXHO-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001716233901 1203451925 /nfs/dbraw/zinc/45/19/25/1203451925.db2.gz WETBBICAMNGJFV-SXGWCWSVSA-N 0 3 311.429 3.019 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001716514111 1203497802 /nfs/dbraw/zinc/49/78/02/1203497802.db2.gz KRCKEIJDQFSJBF-GDBMZVCRSA-N 0 3 321.490 3.264 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001716539489 1203501098 /nfs/dbraw/zinc/50/10/98/1203501098.db2.gz DUTGVKIHXHXIQC-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001716649275 1203513846 /nfs/dbraw/zinc/51/38/46/1203513846.db2.gz FNNSPNFQWXBGGW-MJGOQNOKSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001716665945 1203519557 /nfs/dbraw/zinc/51/95/57/1203519557.db2.gz WWWPOLNFBVRCHH-CEXWTWQISA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(Cl)s2)CC1 ZINC001716692031 1203526042 /nfs/dbraw/zinc/52/60/42/1203526042.db2.gz DXYJOVCPHMNVLS-UHFFFAOYSA-N 0 3 312.866 3.496 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc(C)c(F)c3)CC2)C1 ZINC001716692649 1203526150 /nfs/dbraw/zinc/52/61/50/1203526150.db2.gz BLVRUWDYVJSHLF-UHFFFAOYSA-N 0 3 316.420 3.229 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C(CC)CC ZINC001716711274 1203530079 /nfs/dbraw/zinc/53/00/79/1203530079.db2.gz VLXBZCJNNNZRDM-MSOLQXFVSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]2CNC[C@H](F)CC)CCCC1 ZINC001716791668 1203543418 /nfs/dbraw/zinc/54/34/18/1203543418.db2.gz NQDRLYPKNVFIRF-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C[C@@H](C#N)C(=O)NC1(C)CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001716793956 1203543844 /nfs/dbraw/zinc/54/38/44/1203543844.db2.gz CVVISELCMSEHQA-KBPBESRZSA-N 0 3 317.408 3.017 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CCCC2CCCC2)CC1 ZINC001716798667 1203544824 /nfs/dbraw/zinc/54/48/24/1203544824.db2.gz BPBDYNXUMALTIQ-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@H]1CC)C1CCN(CC(=C)C)CC1 ZINC001716809176 1203545624 /nfs/dbraw/zinc/54/56/24/1203545624.db2.gz SBGMMNQXWPLKEX-MJGOQNOKSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CCC[C@@H]1C)C1CCN(CC(=C)C)CC1 ZINC001716806771 1203545626 /nfs/dbraw/zinc/54/56/26/1203545626.db2.gz IMUHNNTWZCOYDD-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)C1CC1)C1CCN(CC=C(C)C)CC1 ZINC001716812681 1203546091 /nfs/dbraw/zinc/54/60/91/1203546091.db2.gz OYVSJZFNBNTSQI-QGZVFWFLSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001716888447 1203562330 /nfs/dbraw/zinc/56/23/30/1203562330.db2.gz VAZWCAGWCKLUSY-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001716891710 1203563091 /nfs/dbraw/zinc/56/30/91/1203563091.db2.gz QBYIUKQESDBLFA-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001716901708 1203566916 /nfs/dbraw/zinc/56/69/16/1203566916.db2.gz NZRQPKCKXKONJJ-ZVDOUQERSA-N 0 3 324.468 3.032 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(CCCF)CCC1(F)F ZINC001716912737 1203568333 /nfs/dbraw/zinc/56/83/33/1203568333.db2.gz MGBOJZONECWYLC-DZGCQCFKSA-N 0 3 320.399 3.022 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001716953407 1203569133 /nfs/dbraw/zinc/56/91/33/1203569133.db2.gz ZCWFHGFOJXILIN-IEBWSBKVSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC[C@H](C)CC)C[C@@H]2C1 ZINC001717010648 1203577163 /nfs/dbraw/zinc/57/71/63/1203577163.db2.gz LCGYPAABLCZBPA-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CC(F)(F)F ZINC001717038847 1203580400 /nfs/dbraw/zinc/58/04/00/1203580400.db2.gz RBGHRWRVTXKOQG-BFHYXJOUSA-N 0 3 318.383 3.216 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001717113647 1203585782 /nfs/dbraw/zinc/58/57/82/1203585782.db2.gz NRKKCBRIWZABOO-PWIZWCRZSA-N 0 3 324.468 3.194 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CC1CCCC1 ZINC001717113799 1203586248 /nfs/dbraw/zinc/58/62/48/1203586248.db2.gz VMBMWDVVDNUTFT-UHFFFAOYSA-N 0 3 312.457 3.338 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2scnc2C)CCC1 ZINC001717154793 1203592492 /nfs/dbraw/zinc/59/24/92/1203592492.db2.gz NORIRIXQYFTGSM-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CCCc1ccccc1Cl ZINC001717207547 1203601749 /nfs/dbraw/zinc/60/17/49/1203601749.db2.gz GJHWJOYFABCOMR-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](CCC)c1ccccc1 ZINC001717214995 1203605043 /nfs/dbraw/zinc/60/50/43/1203605043.db2.gz TVOKMEUCLXJSSB-IBGZPJMESA-N 0 3 314.473 3.374 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCCCC1CCN(CCF)CC1 ZINC001717242743 1203608590 /nfs/dbraw/zinc/60/85/90/1203608590.db2.gz LPNKLSFPXIZVIR-UHFFFAOYSA-N 0 3 324.484 3.394 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001717247553 1203609998 /nfs/dbraw/zinc/60/99/98/1203609998.db2.gz KAOKYWDCTVSBKI-AEFFLSMTSA-N 0 3 310.457 3.405 20 30 DGEDHN CC(C)CCCN1Cc2ccc(CNC(=O)[C@H](C)C#N)cc2C1 ZINC001717269507 1203610602 /nfs/dbraw/zinc/61/06/02/1203610602.db2.gz PFBXZTRTLCKONQ-OAHLLOKOSA-N 0 3 313.445 3.214 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2sccc2Cl)C1 ZINC001717277670 1203611960 /nfs/dbraw/zinc/61/19/60/1203611960.db2.gz YEAUUIBUVRNULI-OCCSQVGLSA-N 0 3 324.877 3.142 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC2(C)CCCC2)C(C)(C)C1 ZINC001717308767 1203616485 /nfs/dbraw/zinc/61/64/85/1203616485.db2.gz XJYOGWSESZMNND-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)C[C@@H]1C ZINC001717334631 1203620019 /nfs/dbraw/zinc/62/00/19/1203620019.db2.gz XDXKAUQHYHDBQE-KBPBESRZSA-N 0 3 314.420 3.050 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1 ZINC001717373084 1203628646 /nfs/dbraw/zinc/62/86/46/1203628646.db2.gz FWZRSAJCILBMOP-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccc(CC)cc1 ZINC001717376077 1203629838 /nfs/dbraw/zinc/62/98/38/1203629838.db2.gz JJZYTNWTJQTGBO-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001717376160 1203630941 /nfs/dbraw/zinc/63/09/41/1203630941.db2.gz LHTUHZBSTCNNMW-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CC(C)(C)C ZINC001717398406 1203636252 /nfs/dbraw/zinc/63/62/52/1203636252.db2.gz DWHJGWHSVXPCDQ-STQMWFEESA-N 0 3 319.424 3.116 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2cc(C)ccc2F)C1 ZINC001717434975 1203643663 /nfs/dbraw/zinc/64/36/63/1203643663.db2.gz AHNYPSLZKOMDBZ-CABCVRRESA-N 0 3 318.436 3.473 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2cc(C)ccc2F)C1 ZINC001717434978 1203643717 /nfs/dbraw/zinc/64/37/17/1203643717.db2.gz AHNYPSLZKOMDBZ-LSDHHAIUSA-N 0 3 318.436 3.473 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001717438534 1203644393 /nfs/dbraw/zinc/64/43/93/1203644393.db2.gz IDOGGWZCEAHPFJ-STQMWFEESA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cccs1 ZINC001717449716 1203647048 /nfs/dbraw/zinc/64/70/48/1203647048.db2.gz ZVJPFRRWRJWLIY-UHFFFAOYSA-N 0 3 300.855 3.188 20 30 DGEDHN CN(CC(C)(C)CNCc1ccccc1C#N)C(=O)C(C)(C)C ZINC001717460680 1203649489 /nfs/dbraw/zinc/64/94/89/1203649489.db2.gz YODMDKVOBWYUOD-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1CCCCCN1Cc1ccsc1 ZINC001717536096 1203675605 /nfs/dbraw/zinc/67/56/05/1203675605.db2.gz CXNHLCUFLHDODR-QGZVFWFLSA-N 0 3 318.486 3.268 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC001717540780 1203677816 /nfs/dbraw/zinc/67/78/16/1203677816.db2.gz SEUHHOFOWYSDPS-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2ccc(CC)cc2)C1 ZINC001717554759 1203680720 /nfs/dbraw/zinc/68/07/20/1203680720.db2.gz INRRJVAKPRAJRR-HNNXBMFYSA-N 0 3 314.473 3.398 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001717555105 1203680887 /nfs/dbraw/zinc/68/08/87/1203680887.db2.gz OSISAIRQLGBJAC-INIZCTEOSA-N 0 3 314.473 3.452 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CC/C=C\c2ccccc2)C1 ZINC001717557689 1203681323 /nfs/dbraw/zinc/68/13/23/1203681323.db2.gz YDAFGSJLNKFAEX-GJBHZFNWSA-N 0 3 312.457 3.493 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001717664678 1203696582 /nfs/dbraw/zinc/69/65/82/1203696582.db2.gz ZQJYAMNAURMJPG-YLIUPVCFSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001717737465 1203707151 /nfs/dbraw/zinc/70/71/51/1203707151.db2.gz GKRMPHYBMKJIFP-DOMZBBRYSA-N 0 3 323.506 3.299 20 30 DGEDHN CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001717738033 1203707223 /nfs/dbraw/zinc/70/72/23/1203707223.db2.gz FFGWAALTDFLPAK-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001717738601 1203707508 /nfs/dbraw/zinc/70/75/08/1203707508.db2.gz PZIRLGNPQZHAHL-DOMZBBRYSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC001717744643 1203708701 /nfs/dbraw/zinc/70/87/01/1203708701.db2.gz GDANGFOZPJCXAG-IRXDYDNUSA-N 0 3 300.446 3.030 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001717744472 1203708722 /nfs/dbraw/zinc/70/87/22/1203708722.db2.gz BOHOXKVBIRHRRP-CQSZACIVSA-N 0 3 320.864 3.077 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001717830229 1203717264 /nfs/dbraw/zinc/71/72/64/1203717264.db2.gz PKSUNNOOKQNYIA-KBPBESRZSA-N 0 3 318.486 3.262 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2ncc(C)s2)C1 ZINC001717872014 1203726201 /nfs/dbraw/zinc/72/62/01/1203726201.db2.gz FQMATNBGIWBYOG-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001717896006 1203729544 /nfs/dbraw/zinc/72/95/44/1203729544.db2.gz YBXBBGWRZIDIIA-JKSUJKDBSA-N 0 3 310.457 3.330 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001717896004 1203729764 /nfs/dbraw/zinc/72/97/64/1203729764.db2.gz YBXBBGWRZIDIIA-HOTGVXAUSA-N 0 3 310.457 3.330 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC=C(C)C)C1 ZINC001717986326 1203740688 /nfs/dbraw/zinc/74/06/88/1203740688.db2.gz GCKQBZJZOHPYMB-KBPBESRZSA-N 0 3 318.383 3.288 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001717994309 1203741836 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C=CCCCN1CC[C@@H]1CNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001723456748 1203974226 /nfs/dbraw/zinc/97/42/26/1203974226.db2.gz DOPVOMRRWKEJOV-IKGGRYGDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001723458630 1203974972 /nfs/dbraw/zinc/97/49/72/1203974972.db2.gz SGCSQAFPWVXFMI-QAPCUYQASA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001723462374 1203975578 /nfs/dbraw/zinc/97/55/78/1203975578.db2.gz DMLLOHDTGUDIPZ-YLJYHZDGSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001723473659 1203977273 /nfs/dbraw/zinc/97/72/73/1203977273.db2.gz PRNDISMBYQMMKZ-UKRRQHHQSA-N 0 3 318.486 3.396 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001723473660 1203977606 /nfs/dbraw/zinc/97/76/06/1203977606.db2.gz PRNDISMBYQMMKZ-ZFWWWQNUSA-N 0 3 318.486 3.396 20 30 DGEDHN N#Cc1cccc(CNC2(CNC(=O)C[C@H]3CC=CCC3)CC2)c1 ZINC001723546277 1203981572 /nfs/dbraw/zinc/98/15/72/1203981572.db2.gz 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CC#CCN(CCCNC(=O)C1(CC)CCCCC1)C1CC1 ZINC001731345333 1204379922 /nfs/dbraw/zinc/37/99/22/1204379922.db2.gz CAKPMLAWCFFTEV-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001731376739 1204387922 /nfs/dbraw/zinc/38/79/22/1204387922.db2.gz HLHCQYVXPUTXPR-YKXBDCQTSA-N 0 3 322.880 3.478 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)COC(C)(C)C)CC1 ZINC001731383251 1204390078 /nfs/dbraw/zinc/39/00/78/1204390078.db2.gz DKQSNZFHCHEBJM-UHFFFAOYSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001731402739 1204398340 /nfs/dbraw/zinc/39/83/40/1204398340.db2.gz NKSKEBPVQCVWJP-NSHDSACASA-N 0 3 305.249 3.002 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001731422913 1204407988 /nfs/dbraw/zinc/40/79/88/1204407988.db2.gz AMGPJPFMYGFDRX-MELADBBJSA-N 0 3 312.404 3.062 20 30 DGEDHN C[C@@H]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001731477341 1204425689 /nfs/dbraw/zinc/42/56/89/1204425689.db2.gz GFHKKXOVPGNASE-MDNKFWRPSA-N 0 3 324.468 3.101 20 30 DGEDHN Cc1ccccc1CN1CCCC[C@H]1CNC(=O)C#CC(C)C ZINC001731535256 1204448201 /nfs/dbraw/zinc/44/82/01/1204448201.db2.gz AFNWNLNERZSUEY-IBGZPJMESA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccc(C)cc1 ZINC001731538478 1204449660 /nfs/dbraw/zinc/44/96/60/1204449660.db2.gz OISNRVAMFRJVQJ-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001731540658 1204450482 /nfs/dbraw/zinc/45/04/82/1204450482.db2.gz BAODEQKJYVJADH-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001731556690 1204459078 /nfs/dbraw/zinc/45/90/78/1204459078.db2.gz CGRUFCGCCUZDHM-IAGOWNOFSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001731557616 1204460707 /nfs/dbraw/zinc/46/07/07/1204460707.db2.gz HBHSFQAEAYKFGU-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cc(C)ns2)CCCC1 ZINC001731642658 1204495260 /nfs/dbraw/zinc/49/52/60/1204495260.db2.gz OXGWSXGNXNZFHU-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2c(F)cccc2F)C1 ZINC001731692312 1204507064 /nfs/dbraw/zinc/50/70/64/1204507064.db2.gz UPIAWZYIJCDBFH-UONOGXRCSA-N 0 3 322.399 3.448 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001731718657 1204520043 /nfs/dbraw/zinc/52/00/43/1204520043.db2.gz WMOWQSKTWTVFMF-SFHVURJKSA-N 0 3 316.420 3.052 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)Cc1ccc(C)o1 ZINC001731747319 1204534149 /nfs/dbraw/zinc/53/41/49/1204534149.db2.gz KPPLNYDNPXZLJY-HNNXBMFYSA-N 0 3 324.852 3.244 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN(C)Cc1ccc(C2CCCC2)cc1 ZINC001731767402 1204545664 /nfs/dbraw/zinc/54/56/64/1204545664.db2.gz XQUADQPCUZFNRM-OAHLLOKOSA-N 0 3 313.445 3.052 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C(C)C)nc1CC ZINC001731786867 1204558300 /nfs/dbraw/zinc/55/83/00/1204558300.db2.gz DCWHCEGQZLOORB-UHFFFAOYSA-N 0 3 303.450 3.005 20 30 DGEDHN Cc1cc(CN2CCC[C@H]2CNC(=O)C#CC(C)C)c(C)s1 ZINC001731823658 1204587298 /nfs/dbraw/zinc/58/72/98/1204587298.db2.gz IDVALKPBNDULQK-KRWDZBQOSA-N 0 3 318.486 3.105 20 30 DGEDHN C#CCCCCC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001731904464 1204628508 /nfs/dbraw/zinc/62/85/08/1204628508.db2.gz JXESSZWSKKRXNK-UHFFFAOYSA-N 0 3 312.413 3.174 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)C#N)c1ccc(C(C)C)cc1 ZINC001732018186 1204651111 /nfs/dbraw/zinc/65/11/11/1204651111.db2.gz SZFZLAJYDIRPIT-YJBOKZPZSA-N 0 3 313.445 3.293 20 30 DGEDHN CC1(CC(=O)NCC[C@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC001732057009 1204673345 /nfs/dbraw/zinc/67/33/45/1204673345.db2.gz XUQOWBQFHJPRAP-IBGZPJMESA-N 0 3 324.468 3.057 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001732084879 1204687953 /nfs/dbraw/zinc/68/79/53/1204687953.db2.gz YSLYHCRBMGZQOC-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001732148795 1204714312 /nfs/dbraw/zinc/71/43/12/1204714312.db2.gz XWPARLSVXRPGQT-PVAVHDDUSA-N 0 3 304.478 3.453 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H](CC)NCc1cccnc1)c1ccccc1 ZINC001732222315 1204757947 /nfs/dbraw/zinc/75/79/47/1204757947.db2.gz GQBUJJDZHZINOU-RTBURBONSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001732274925 1204777976 /nfs/dbraw/zinc/77/79/76/1204777976.db2.gz WXZMRAZNEUNUOV-STQMWFEESA-N 0 3 320.811 3.003 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccc(C3CC3)cc2)cc1 ZINC001732318580 1204789798 /nfs/dbraw/zinc/78/97/98/1204789798.db2.gz PXLORPQHNGIJKH-UHFFFAOYSA-N 0 3 318.420 3.217 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001732418249 1204831889 /nfs/dbraw/zinc/83/18/89/1204831889.db2.gz APUUKAFEENPCNK-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CC12CCCC2 ZINC001732448346 1204845927 /nfs/dbraw/zinc/84/59/27/1204845927.db2.gz HJFVENBIWUZOEC-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN Cc1ccccc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001732453249 1204848790 /nfs/dbraw/zinc/84/87/90/1204848790.db2.gz OVUJBMYHMMTKEZ-GOSISDBHSA-N 0 3 320.436 3.097 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nc(C)cs2)[C@@H](C)C1 ZINC001732484429 1204867923 /nfs/dbraw/zinc/86/79/23/1204867923.db2.gz FCIGXOGGFDRWNA-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)CCCc1ccc(Cl)cc1 ZINC001732586985 1204909783 /nfs/dbraw/zinc/90/97/83/1204909783.db2.gz RNEGDWJFZHSRKD-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001732600013 1204918115 /nfs/dbraw/zinc/91/81/15/1204918115.db2.gz IAWJDFYYKCGXOL-KRWDZBQOSA-N 0 3 306.425 3.142 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001732717465 1204932841 /nfs/dbraw/zinc/93/28/41/1204932841.db2.gz LFFOBCDFIHEWST-NSHDSACASA-N 0 3 323.799 3.158 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C(CC)(CC)c1ccccc1 ZINC001733067982 1205016399 /nfs/dbraw/zinc/01/63/99/1205016399.db2.gz TTYBAHPLPYBAFH-MRXNPFEDSA-N 0 3 302.462 3.367 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cscn1 ZINC001733076743 1205019690 /nfs/dbraw/zinc/01/96/90/1205019690.db2.gz HNFKDNTUQRQQKT-GOEBONIOSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CCCc1ccccc1C ZINC001733212824 1205046963 /nfs/dbraw/zinc/04/69/63/1205046963.db2.gz LWLXNUSGDMBZFF-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001733225099 1205055882 /nfs/dbraw/zinc/05/58/82/1205055882.db2.gz FSPMBRJAEMVQQV-GJZGRUSLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001733227000 1205056183 /nfs/dbraw/zinc/05/61/83/1205056183.db2.gz JARPPRDPBCLRJI-GXTWGEPZSA-N 0 3 322.474 3.224 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)CC1 ZINC001733292180 1205084046 /nfs/dbraw/zinc/08/40/46/1205084046.db2.gz HXCNAVDKUPMUIG-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001733398525 1205116877 /nfs/dbraw/zinc/11/68/77/1205116877.db2.gz PWKXGLWDVCMSES-IEBWSBKVSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001733405508 1205120750 /nfs/dbraw/zinc/12/07/50/1205120750.db2.gz WLYSFVOISYSMDX-LJQANCHMSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001733412249 1205124114 /nfs/dbraw/zinc/12/41/14/1205124114.db2.gz KXYKNICCGNEYRW-FUHWJXTLSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ncsc2C(C)C)C1 ZINC001733459903 1205142174 /nfs/dbraw/zinc/14/21/74/1205142174.db2.gz BZGZODQWVBDDEN-KRWDZBQOSA-N 0 3 321.490 3.284 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001733463340 1205144340 /nfs/dbraw/zinc/14/43/40/1205144340.db2.gz UROSOJRRFCZSTI-GDBMZVCRSA-N 0 3 314.420 3.216 20 30 DGEDHN CCc1ccccc1[C@H](CNC(=O)[C@@H](C)C#N)NCC=C(C)C ZINC001733517374 1205151837 /nfs/dbraw/zinc/15/18/37/1205151837.db2.gz FXOGQIGZLDHHKS-YJBOKZPZSA-N 0 3 313.445 3.122 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H](C)SC ZINC001733677281 1205181984 /nfs/dbraw/zinc/18/19/84/1205181984.db2.gz MZHLODLLGLPJLU-CQSZACIVSA-N 0 3 306.475 3.062 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)C(C)(F)F)cc1 ZINC001733682657 1205184100 /nfs/dbraw/zinc/18/41/00/1205184100.db2.gz KQWTWGGYIBHQLV-CYBMUJFWSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)C(C)(F)F)cc1 ZINC001733682658 1205184208 /nfs/dbraw/zinc/18/42/08/1205184208.db2.gz KQWTWGGYIBHQLV-ZDUSSCGKSA-N 0 3 322.399 3.268 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001733694937 1205188120 /nfs/dbraw/zinc/18/81/20/1205188120.db2.gz NIETUIMFQWTWFU-DLBZAZTESA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C3(CC=C)CCCCC3)C2)CC1 ZINC001733695942 1205188155 /nfs/dbraw/zinc/18/81/55/1205188155.db2.gz RXXKQYUKXQGZSC-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001733764041 1205203112 /nfs/dbraw/zinc/20/31/12/1205203112.db2.gz OFWZXRLMLYXPLJ-MJGOQNOKSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](CCC=C)c2ccccc2)CC1 ZINC001733766651 1205205109 /nfs/dbraw/zinc/20/51/09/1205205109.db2.gz XNVSZIZFIVBEQO-WOJBJXKFSA-N 0 3 324.468 3.340 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001733778385 1205214233 /nfs/dbraw/zinc/21/42/33/1205214233.db2.gz KEFQTFVAAMRKTP-MRXNPFEDSA-N 0 3 318.436 3.123 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cccc(Cl)n2)[C@@H](C)C1 ZINC001733846695 1205229951 /nfs/dbraw/zinc/22/99/51/1205229951.db2.gz MQKZUQGPBYJFLY-ZFWWWQNUSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C2CC2)C2CC2)C(C)(C)C1 ZINC001733877191 1205241120 /nfs/dbraw/zinc/24/11/20/1205241120.db2.gz BMLVVZXFYLVYRJ-KRWDZBQOSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001733892413 1205242042 /nfs/dbraw/zinc/24/20/42/1205242042.db2.gz PJMLUYIKXMMBIH-RHSMWYFYSA-N 0 3 304.409 3.261 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@@H]1C ZINC001733901164 1205246716 /nfs/dbraw/zinc/24/67/16/1205246716.db2.gz MRANSEOZGJSSSI-JKSUJKDBSA-N 0 3 306.494 3.441 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCc1ccccc1 ZINC001733935862 1205264148 /nfs/dbraw/zinc/26/41/48/1205264148.db2.gz OEGDUSRPANYOSC-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)OC1CCCCCC1 ZINC001733936397 1205265368 /nfs/dbraw/zinc/26/53/68/1205265368.db2.gz SBGIPLFWCVUNOO-IAGOWNOFSA-N 0 3 322.493 3.223 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001733966053 1205273884 /nfs/dbraw/zinc/27/38/84/1205273884.db2.gz XHXVIFJVZAYKDJ-HUUCEWRRSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001733990165 1205281367 /nfs/dbraw/zinc/28/13/67/1205281367.db2.gz NIFMSPARZDQTLM-STQMWFEESA-N 0 3 309.841 3.074 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](C)C1CN(CCCF)C1)c1ccccc1 ZINC001734127146 1205331227 /nfs/dbraw/zinc/33/12/27/1205331227.db2.gz YEDNKCBCJIRHIY-HOTGVXAUSA-N 0 3 318.436 3.142 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)CCCCC)C[C@]2(C)C1 ZINC001734207973 1205343703 /nfs/dbraw/zinc/34/37/03/1205343703.db2.gz WNPNYBOQMOFMPP-YSIASYRMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001734212496 1205344406 /nfs/dbraw/zinc/34/44/06/1205344406.db2.gz OXGPXNULXSVECM-YDHLFZDLSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001734237573 1205348224 /nfs/dbraw/zinc/34/82/24/1205348224.db2.gz NXXUWKWGBDLWMV-LVQVYYBASA-N 0 3 310.869 3.216 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001734294767 1205358809 /nfs/dbraw/zinc/35/88/09/1205358809.db2.gz FTQQKPMCJCHVAX-LBPRGKRZSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1ccnc(Cl)c1)C1CC1 ZINC001734297709 1205359274 /nfs/dbraw/zinc/35/92/74/1205359274.db2.gz QJILREJSGLUXBG-HNNXBMFYSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cnc(C)s2)CCC1 ZINC001734346927 1205368837 /nfs/dbraw/zinc/36/88/37/1205368837.db2.gz YAVMXPCQBRHQDY-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001734347388 1205368861 /nfs/dbraw/zinc/36/88/61/1205368861.db2.gz QCQDSHCRMMPQHZ-MJGOQNOKSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)CCCc1ccccc1 ZINC001734357063 1205371222 /nfs/dbraw/zinc/37/12/22/1205371222.db2.gz NRJGRTDLMCIAOM-MSOLQXFVSA-N 0 3 314.473 3.105 20 30 DGEDHN CC/C=C(\C)C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001734409086 1205373607 /nfs/dbraw/zinc/37/36/07/1205373607.db2.gz BUOAEOZOVKNHIY-ODYZYYDOSA-N 0 3 317.458 3.055 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CCCC)cc2)C1 ZINC001734414741 1205374242 /nfs/dbraw/zinc/37/42/42/1205374242.db2.gz ABGHZWCKYAHNNQ-APWZRJJASA-N 0 3 312.457 3.245 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001734419454 1205374678 /nfs/dbraw/zinc/37/46/78/1205374678.db2.gz PGJYUCVQIRFUPC-RDJZCZTQSA-N 0 3 316.420 3.098 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)c(F)cc1F)C(C)C ZINC001734551725 1205391573 /nfs/dbraw/zinc/39/15/73/1205391573.db2.gz QGJABBCMFKIAIH-UHFFFAOYSA-N 0 3 322.399 3.079 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(C)c(F)cc1F)C(C)C ZINC001734551838 1205391849 /nfs/dbraw/zinc/39/18/49/1205391849.db2.gz QVJQETFBUXHNMD-UHFFFAOYSA-N 0 3 310.388 3.242 20 30 DGEDHN C#CCCN(C)CCN(C(=O)CCc1ccc(C)s1)C(C)C ZINC001734552915 1205392006 /nfs/dbraw/zinc/39/20/06/1205392006.db2.gz HIEUCJBNKDAIDZ-UHFFFAOYSA-N 0 3 320.502 3.181 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc2ccncc2c1)C(C)C ZINC001734554373 1205392702 /nfs/dbraw/zinc/39/27/02/1205392702.db2.gz SIHPYSQSVMHVKG-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001734558289 1205393923 /nfs/dbraw/zinc/39/39/23/1205393923.db2.gz XKNWPNULFRRTSP-WMZOPIPTSA-N 0 3 314.473 3.205 20 30 DGEDHN CC[C@H](F)CN1CCC([C@H](C)NC(=O)C#CC(C)(C)C)CC1 ZINC001734584486 1205400992 /nfs/dbraw/zinc/40/09/92/1205400992.db2.gz LCKPPKQHKWLART-HOCLYGCPSA-N 0 3 310.457 3.001 20 30 DGEDHN CC[C@@H](F)CNC[C@@H](NC(=O)C#CC(C)(C)C)C1CCCCC1 ZINC001667133968 1197322444 /nfs/dbraw/zinc/32/24/44/1197322444.db2.gz COXNRERNAYWZLA-IAGOWNOFSA-N 0 3 324.484 3.439 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001668314436 1197409315 /nfs/dbraw/zinc/40/93/15/1197409315.db2.gz FUNTXBZSOXMCMZ-OLZOCXBDSA-N 0 3 312.816 3.166 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC001484035608 1089116603 /nfs/dbraw/zinc/11/66/03/1089116603.db2.gz WLDGVGWGLQFQBY-TZMCWYRMSA-N 0 3 319.276 3.117 20 30 DGEDHN C#C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000820347501 1091622710 /nfs/dbraw/zinc/62/27/10/1091622710.db2.gz LZOGNLYZAOZVIC-WHOFXGATSA-N 0 3 308.219 3.138 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1nc(C)c(C)s1 ZINC001169705740 1081635048 /nfs/dbraw/zinc/63/50/48/1081635048.db2.gz MSWDEFAEUFFFIX-CYBMUJFWSA-N 0 3 323.506 3.491 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1nc(C)cs1 ZINC001169706522 1081635097 /nfs/dbraw/zinc/63/50/97/1081635097.db2.gz SNNPBBSIIJXLOD-CYBMUJFWSA-N 0 3 309.479 3.182 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1c(Cl)oc2ccccc21 ZINC001266311618 1081656543 /nfs/dbraw/zinc/65/65/43/1081656543.db2.gz CXIQXAMSDSXCQE-UHFFFAOYSA-N 0 3 306.793 3.324 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001266339010 1081679534 /nfs/dbraw/zinc/67/95/34/1081679534.db2.gz HRZFDTXJXRCGAL-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)s1)C2 ZINC001108871949 1081728404 /nfs/dbraw/zinc/72/84/04/1081728404.db2.gz RVTFTERMJFQAPX-ILXRZTDVSA-N 0 3 304.459 3.358 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@@H]1CCc2ccc(F)cc21 ZINC001266387666 1081730161 /nfs/dbraw/zinc/73/01/61/1081730161.db2.gz BVXJTXVQPKFNOP-GOSISDBHSA-N 0 3 316.420 3.055 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001266388640 1081731857 /nfs/dbraw/zinc/73/18/57/1081731857.db2.gz LKEFHNJLXNEQLH-FUHWJXTLSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@@H]1C[C@H]1C)CC2 ZINC001209416521 1081734245 /nfs/dbraw/zinc/73/42/45/1081734245.db2.gz SIDIAZFROKMDBU-ZBFHGGJFSA-N 0 3 315.461 3.010 20 30 DGEDHN C[C@@H]1CCC[C@H](CCN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001167137794 1081748641 /nfs/dbraw/zinc/74/86/41/1081748641.db2.gz GVVLREWCHHNXPX-IAGOWNOFSA-N 0 3 312.461 3.292 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C)C2 ZINC001109002621 1081750702 /nfs/dbraw/zinc/75/07/02/1081750702.db2.gz QTKPSMDQXUFXSC-PMPSAXMXSA-N 0 3 317.433 3.065 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001266423029 1081782406 /nfs/dbraw/zinc/78/24/06/1081782406.db2.gz AGUFLPGFZXTFPB-FVECTHPASA-N 0 3 322.452 3.045 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001111548361 1081816244 /nfs/dbraw/zinc/81/62/44/1081816244.db2.gz APHRKXMEJZUWLU-KRWDZBQOSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C(C)C)C2 ZINC001109397239 1081824742 /nfs/dbraw/zinc/82/47/42/1081824742.db2.gz TVCXFPLHGGVYPW-KBMXLJTQSA-N 0 3 317.433 3.099 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001266457019 1081852770 /nfs/dbraw/zinc/85/27/70/1081852770.db2.gz FUKJFASODVVULE-SFHVURJKSA-N 0 3 316.420 3.040 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC001266461893 1081858294 /nfs/dbraw/zinc/85/82/94/1081858294.db2.gz YQUQOJJOGYSFQU-YJBOKZPZSA-N 0 3 316.420 3.271 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)co1 ZINC001266491841 1081891624 /nfs/dbraw/zinc/89/16/24/1081891624.db2.gz ZESPUHULJOWOHV-OAGGEKHMSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC1 ZINC001109681619 1081898992 /nfs/dbraw/zinc/89/89/92/1081898992.db2.gz BFOBGZXUGNIPKS-IKGGRYGDSA-N 0 3 302.462 3.421 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001109758875 1081909113 /nfs/dbraw/zinc/90/91/13/1081909113.db2.gz DZBFTHPCRCCGOW-NCOADZHNSA-N 0 3 304.478 3.194 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)C2 ZINC001109987911 1081942597 /nfs/dbraw/zinc/94/25/97/1081942597.db2.gz OPXZUMOPTDIGEQ-MQYQWHSLSA-N 0 3 318.383 3.263 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001266528684 1081952470 /nfs/dbraw/zinc/95/24/70/1081952470.db2.gz VZHABQNIQXATSJ-CVEARBPZSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001266544816 1081977458 /nfs/dbraw/zinc/97/74/58/1081977458.db2.gz JFVAWSQJUWCHNF-QZTJIDSGSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001086548703 1081986520 /nfs/dbraw/zinc/98/65/20/1081986520.db2.gz YNXYUKNPBZBMCD-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001086561823 1082021326 /nfs/dbraw/zinc/02/13/26/1082021326.db2.gz ODZRLMMNLKGXDG-DZQYTSFXSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(CC2CCCC2)CC1 ZINC001112851186 1082024493 /nfs/dbraw/zinc/02/44/93/1082024493.db2.gz YUSXFRHXIVXEPN-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC001112868490 1082029900 /nfs/dbraw/zinc/02/99/00/1082029900.db2.gz PTAKDGMOWGJIIX-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC001266596438 1082047124 /nfs/dbraw/zinc/04/71/24/1082047124.db2.gz FHKBPZIKWUVWDN-QZTJIDSGSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)[C@H](CC(=O)N1CCN(C[C@H](C)CC(C)C)CC1)OCC ZINC001112906950 1082047660 /nfs/dbraw/zinc/04/76/60/1082047660.db2.gz UMUOZZBWIHFHOI-MSOLQXFVSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC001266604974 1082054989 /nfs/dbraw/zinc/05/49/89/1082054989.db2.gz XAWZDOMTTGAKTN-QZTJIDSGSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccsc2)CC1 ZINC001112967227 1082068187 /nfs/dbraw/zinc/06/81/87/1082068187.db2.gz DRBQLKZXWJUKND-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001266612211 1082068977 /nfs/dbraw/zinc/06/89/77/1082068977.db2.gz LHJJLRHPPGQDKV-JOCQHMNTSA-N 0 3 324.877 3.332 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001266616890 1082079553 /nfs/dbraw/zinc/07/95/53/1082079553.db2.gz NCTGJICHRWKMBH-DEYYWGMASA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC001113076986 1082109294 /nfs/dbraw/zinc/10/92/94/1082109294.db2.gz NCLGRJMFBQTNET-QGZVFWFLSA-N 0 3 300.446 3.036 20 30 DGEDHN CCCCCCCN1CCN(C(=O)c2cc(CCC)[nH]n2)CC1 ZINC001113177252 1082133773 /nfs/dbraw/zinc/13/37/73/1082133773.db2.gz UGCVZNDWODXPLS-UHFFFAOYSA-N 0 3 320.481 3.090 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1C ZINC001104328397 1082134859 /nfs/dbraw/zinc/13/48/59/1082134859.db2.gz RAXSADPDVYBPTH-TZMCWYRMSA-N 0 3 310.869 3.003 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266711446 1082161135 /nfs/dbraw/zinc/16/11/35/1082161135.db2.gz XZCOYKBATSRUAZ-HDICACEKSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113283343 1082163588 /nfs/dbraw/zinc/16/35/88/1082163588.db2.gz HCYYUKDMYQPEOI-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001266718736 1082167226 /nfs/dbraw/zinc/16/72/26/1082167226.db2.gz BXTXVVKBUZEEFT-SYQHCUMBSA-N 0 3 300.874 3.294 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC001113377741 1082187482 /nfs/dbraw/zinc/18/74/82/1082187482.db2.gz KZUZBRIBWVPYDD-ZDUSSCGKSA-N 0 3 306.372 3.218 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc(CC)o2)C[C@H]1C ZINC001104359454 1082205547 /nfs/dbraw/zinc/20/55/47/1082205547.db2.gz HAKVXCFZTJKLBL-TZMCWYRMSA-N 0 3 324.852 3.282 20 30 DGEDHN C[C@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)c1ccc(F)cn1 ZINC001167486280 1082248334 /nfs/dbraw/zinc/24/83/34/1082248334.db2.gz XENOGIBZHZVREX-OVMKCGGTSA-N 0 3 311.364 3.487 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001086600442 1082262881 /nfs/dbraw/zinc/26/28/81/1082262881.db2.gz UAJGSWVAINZPPT-RCLSDMTESA-N 0 3 324.468 3.337 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001266853018 1082267110 /nfs/dbraw/zinc/26/71/10/1082267110.db2.gz CZBQOKWGCRYDDG-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccccc2F)CC1 ZINC001113623613 1082267367 /nfs/dbraw/zinc/26/73/67/1082267367.db2.gz SLSJXNUXYILXBL-INIZCTEOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCC[C@H]1CNCCF)c1ccccc1 ZINC001266883557 1082300953 /nfs/dbraw/zinc/30/09/53/1082300953.db2.gz CBBCUUDYJRGQKC-WMZOPIPTSA-N 0 3 318.436 3.287 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2cc(C)ccc2C)cc1 ZINC001480901091 1082331850 /nfs/dbraw/zinc/33/18/50/1082331850.db2.gz VRMAJWSXJWQMIM-UHFFFAOYSA-N 0 3 320.436 3.147 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001266918914 1082340292 /nfs/dbraw/zinc/34/02/92/1082340292.db2.gz AGHPTYBWZVAWJX-HNNXBMFYSA-N 0 3 319.424 3.072 20 30 DGEDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](C#N)CC2)c([N+](=O)[O-])c1 ZINC001170345060 1082355670 /nfs/dbraw/zinc/35/56/70/1082355670.db2.gz GXOFDAODAHOONI-ZIAGYGMSSA-N 0 3 317.389 3.160 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(Cl)cc2OC)C1 ZINC001267006858 1082425880 /nfs/dbraw/zinc/42/58/80/1082425880.db2.gz VJGIAAHWEOJTFS-HNNXBMFYSA-N 0 3 322.836 3.005 20 30 DGEDHN Cc1ccc(C)c(C(=O)N(C)CCNCc2ccc(C#N)cc2)c1 ZINC001267013942 1082432204 /nfs/dbraw/zinc/43/22/04/1082432204.db2.gz INJBKHBSDXIUAD-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CCCCC)C[C@H]1c1ccccc1 ZINC001211533984 1082435700 /nfs/dbraw/zinc/43/57/00/1082435700.db2.gz LOQXWWGBOLZTFU-RBUKOAKNSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001267055801 1082461342 /nfs/dbraw/zinc/46/13/42/1082461342.db2.gz PLDGRPOOJFQNBR-SHFBUDTHSA-N 0 3 319.276 3.346 20 30 DGEDHN CC1(C(=O)NCCNCc2ccc(C#N)s2)CCCCCC1 ZINC001129648132 1082492719 /nfs/dbraw/zinc/49/27/19/1082492719.db2.gz RMYPROZCYJQESO-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN CC#CCCCC(=O)NCC[C@H](C)NCc1c(F)cccc1F ZINC001267138712 1082554415 /nfs/dbraw/zinc/55/44/15/1082554415.db2.gz ADAFXZVHVMZCKF-AWEZNQCLSA-N 0 3 322.399 3.143 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(CC(C)C)CCC1 ZINC001267137995 1082554525 /nfs/dbraw/zinc/55/45/25/1082554525.db2.gz JTBDVLFPMXFJHW-CQSZACIVSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(Cl)cn1CC ZINC001267156803 1082576583 /nfs/dbraw/zinc/57/65/83/1082576583.db2.gz CXDPMDQYOIONQB-LLVKDONJSA-N 0 3 318.248 3.012 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CSC(C)C ZINC001267160357 1082579907 /nfs/dbraw/zinc/57/99/07/1082579907.db2.gz DUMHFGNVMUIWPI-AWEZNQCLSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CCc1ccoc1 ZINC001267165828 1082589423 /nfs/dbraw/zinc/58/94/23/1082589423.db2.gz PNZRBNUAUCRRQZ-MRXNPFEDSA-N 0 3 324.852 3.326 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001267173083 1082597206 /nfs/dbraw/zinc/59/72/06/1082597206.db2.gz FJHVEXHCLGIOGH-JJXSEGSLSA-N 0 3 310.869 3.146 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)NCCCNCc1ccccc1C#N ZINC001170510012 1082604522 /nfs/dbraw/zinc/60/45/22/1082604522.db2.gz DYVGBYNZWQKHSB-MRXNPFEDSA-N 0 3 315.461 3.226 20 30 DGEDHN CCCc1ccccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131123630 1082644590 /nfs/dbraw/zinc/64/45/90/1082644590.db2.gz GTDZGONQHSUJPK-UHFFFAOYSA-N 0 3 321.424 3.030 20 30 DGEDHN CC1(CC(=O)NCCNCc2ccc(C#N)cc2)CCCCC1 ZINC001131140755 1082646412 /nfs/dbraw/zinc/64/64/12/1082646412.db2.gz RBCPJDUNRFOPCD-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN CC(C)CC(C)(C)C(=O)NCCCNCc1ccccc1C#N ZINC001170556026 1082664917 /nfs/dbraw/zinc/66/49/17/1082664917.db2.gz LYFAQXURJZQZSD-UHFFFAOYSA-N 0 3 315.461 3.226 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001111894501 1082676809 /nfs/dbraw/zinc/67/68/09/1082676809.db2.gz HTTOAQPPUWTYLC-LNLFQRSKSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001267282300 1082746654 /nfs/dbraw/zinc/74/66/54/1082746654.db2.gz PGCALSIWJJMNHL-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(C)cc2)C1 ZINC001131899129 1082758695 /nfs/dbraw/zinc/75/86/95/1082758695.db2.gz IVHXISAEKNTTHI-FUHWJXTLSA-N 0 3 300.446 3.430 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001267299643 1082761472 /nfs/dbraw/zinc/76/14/72/1082761472.db2.gz ZXMPQHHWGXABTG-CQSZACIVSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001267300708 1082763282 /nfs/dbraw/zinc/76/32/82/1082763282.db2.gz SQVQVXMLKKHWNX-DOTOQJQBSA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001267314172 1082780925 /nfs/dbraw/zinc/78/09/25/1082780925.db2.gz CBKXQDLJDRVVJG-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001131980264 1082780907 /nfs/dbraw/zinc/78/09/07/1082780907.db2.gz JXZUQEQNLKDQFM-SJLPKXTDSA-N 0 3 320.477 3.049 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(CC2=CCCCC2)C1 ZINC001132016007 1082797224 /nfs/dbraw/zinc/79/72/24/1082797224.db2.gz CPVTVHSUOCDIIU-SJLPKXTDSA-N 0 3 302.462 3.115 20 30 DGEDHN C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC001132033280 1082798499 /nfs/dbraw/zinc/79/84/99/1082798499.db2.gz CWHAGDXNLRVTEH-SJLPKXTDSA-N 0 3 312.457 3.205 20 30 DGEDHN C=CCCOCCCCC(=O)N[C@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132034876 1082799826 /nfs/dbraw/zinc/79/98/26/1082799826.db2.gz VYBOUSJDJBISRX-ROUUACIJSA-N 0 3 322.493 3.295 20 30 DGEDHN CCc1ccccc1CN1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132045335 1082804146 /nfs/dbraw/zinc/80/41/46/1082804146.db2.gz DYEZAFMLBNFEAC-JXFKEZNVSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132061758 1082804930 /nfs/dbraw/zinc/80/49/30/1082804930.db2.gz YLDNVNLCMPFJOT-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN CCc1ccccc1CN1C[C@@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132045341 1082805095 /nfs/dbraw/zinc/80/50/95/1082805095.db2.gz DYEZAFMLBNFEAC-UZLBHIALSA-N 0 3 324.468 3.132 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCCC(C)C)C1 ZINC001132073582 1082808877 /nfs/dbraw/zinc/80/88/77/1082808877.db2.gz WTWBMQCELCALCM-QZTJIDSGSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CCOCC2CCC2)C1 ZINC001132073166 1082809009 /nfs/dbraw/zinc/80/90/09/1082809009.db2.gz UIDCMNZMYCKWIG-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c[nH]c2ccc(C)cc12)C1CC1 ZINC001267338263 1082815247 /nfs/dbraw/zinc/81/52/47/1082815247.db2.gz SRBYUFMDNPQUPR-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)CC(F)F)CC[C@@H]1C ZINC001132097304 1082816285 /nfs/dbraw/zinc/81/62/85/1082816285.db2.gz HXUUGBGRSCWWPP-QWHCGFSZSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\c2ccc(F)cc2)CC[C@@H]1C ZINC001132128454 1082823556 /nfs/dbraw/zinc/82/35/56/1082823556.db2.gz LYXAETRMNSUFPK-UGZKAYFTSA-N 0 3 316.420 3.384 20 30 DGEDHN C=CCCC(=O)N(C)CCN[C@H](CC)c1ccc(F)cc1F ZINC001267353761 1082827976 /nfs/dbraw/zinc/82/79/76/1082827976.db2.gz UYHQWMULRQMHFM-MRXNPFEDSA-N 0 3 310.388 3.430 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)/C=C/c1ccc[nH]1)c1ccccc1 ZINC001267357307 1082828832 /nfs/dbraw/zinc/82/88/32/1082828832.db2.gz MIOAMBPSHLMFDD-ZGKFYVQTSA-N 0 3 309.413 3.051 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@@H](C)C(F)(F)F)c1ccccc1 ZINC001267370942 1082840092 /nfs/dbraw/zinc/84/00/92/1082840092.db2.gz UNSBTJXLQWGUHQ-OCCSQVGLSA-N 0 3 314.351 3.208 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)c2cnco2)CC[C@H]1C ZINC001132206620 1082843558 /nfs/dbraw/zinc/84/35/58/1082843558.db2.gz MCIYVEFGWHGXAJ-HUUCEWRRSA-N 0 3 307.438 3.228 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C(F)F)CCCC2)CC[C@@H]1C ZINC001132238258 1082856235 /nfs/dbraw/zinc/85/62/35/1082856235.db2.gz QJRQPMBOXOAUSE-UONOGXRCSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)c1ccccc1 ZINC001267383199 1082857940 /nfs/dbraw/zinc/85/79/40/1082857940.db2.gz YNRADPBEFJDCKE-PXNSSMCTSA-N 0 3 322.452 3.498 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132255609 1082865231 /nfs/dbraw/zinc/86/52/31/1082865231.db2.gz BVWKNDJNSFXISP-FUHWJXTLSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccc(C)cc2)CC[C@@H]1C ZINC001132278783 1082868869 /nfs/dbraw/zinc/86/88/69/1082868869.db2.gz RATZJNLNZUOEAX-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001132304470 1082876314 /nfs/dbraw/zinc/87/63/14/1082876314.db2.gz QDRCOYYREKRDLA-MRXNPFEDSA-N 0 3 322.399 3.260 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCNCc2ccc(Cl)c(F)c2)C1 ZINC001267426628 1082879630 /nfs/dbraw/zinc/87/96/30/1082879630.db2.gz NQWPJHPRZOHBPN-UHFFFAOYSA-N 0 3 324.827 3.383 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132330045 1082882344 /nfs/dbraw/zinc/88/23/44/1082882344.db2.gz AGPGQXQSPGRWEJ-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267452351 1082888315 /nfs/dbraw/zinc/88/83/15/1082888315.db2.gz IRYJXUJCOUUPLW-GOSISDBHSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CC[C@H](C)N(CCOC)C2)CCCCC1 ZINC001132348390 1082890396 /nfs/dbraw/zinc/89/03/96/1082890396.db2.gz LUIRNLWWMNVLMB-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCCCCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132398827 1082899926 /nfs/dbraw/zinc/89/99/26/1082899926.db2.gz QGRYTTXGGFEQMC-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C#CCCCCCC(=O)NCCNCc1cc2ccccc2o1 ZINC001132398951 1082900343 /nfs/dbraw/zinc/90/03/43/1082900343.db2.gz VWCTWDJLDFRPMM-UHFFFAOYSA-N 0 3 312.413 3.222 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2)CC[C@H]1C ZINC001132444938 1082912758 /nfs/dbraw/zinc/91/27/58/1082912758.db2.gz IQCDPSGYQDDKDN-AEFFLSMTSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccccc2Cl)CC[C@H]1C ZINC001132467401 1082919366 /nfs/dbraw/zinc/91/93/66/1082919366.db2.gz DSVOVIRVEIVDQR-ZBFHGGJFSA-N 0 3 320.864 3.428 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C ZINC001132501469 1082924392 /nfs/dbraw/zinc/92/43/92/1082924392.db2.gz XDIGAZPQHGAYDK-DLBZAZTESA-N 0 3 316.445 3.001 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC)CCCCC2)CC[C@@H]1C ZINC001132507987 1082930047 /nfs/dbraw/zinc/93/00/47/1082930047.db2.gz AXTXPDKHBJHVLC-DLBZAZTESA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cc(C)sc2C)CC[C@H]1C ZINC001132524487 1082933842 /nfs/dbraw/zinc/93/38/42/1082933842.db2.gz HSYISIVTFWRKKW-CXAGYDPISA-N 0 3 320.502 3.453 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001132529292 1082935331 /nfs/dbraw/zinc/93/53/31/1082935331.db2.gz LBFHAYAMEXAHDG-STQMWFEESA-N 0 3 310.438 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C(F)=C3CCCC3)C(C)(C)[C@H]21 ZINC001087281825 1082938078 /nfs/dbraw/zinc/93/80/78/1082938078.db2.gz MURKYQODRBWDML-PVAVHDDUSA-N 0 3 318.436 3.022 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001267482322 1082938610 /nfs/dbraw/zinc/93/86/10/1082938610.db2.gz RCDQZJGJHTZVGH-MRXNPFEDSA-N 0 3 323.440 3.118 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C(C)=C3CCC3)C(C)(C)[C@H]21 ZINC001087286586 1082948874 /nfs/dbraw/zinc/94/88/74/1082948874.db2.gz UDPCLYVTOWEYFD-SQNIBIBYSA-N 0 3 314.473 3.115 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132573534 1082950120 /nfs/dbraw/zinc/95/01/20/1082950120.db2.gz OXEJUQHVBRXSGJ-STQMWFEESA-N 0 3 324.852 3.013 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132574274 1082950435 /nfs/dbraw/zinc/95/04/35/1082950435.db2.gz YQGWUHRKISUDQJ-QWHCGFSZSA-N 0 3 324.852 3.013 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc2c(o1)CCCC2)c1ccccc1 ZINC001267521828 1082981571 /nfs/dbraw/zinc/98/15/71/1082981571.db2.gz WFOSZIDPVZQKSK-QGZVFWFLSA-N 0 3 324.424 3.405 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)c1cccs1)c1ccccc1 ZINC001267523471 1082984167 /nfs/dbraw/zinc/98/41/67/1082984167.db2.gz UXLQGJIJLCRREX-GOEBONIOSA-N 0 3 314.454 3.485 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)c1cccs1)c1ccccc1 ZINC001267523472 1082984532 /nfs/dbraw/zinc/98/45/32/1082984532.db2.gz UXLQGJIJLCRREX-HOCLYGCPSA-N 0 3 314.454 3.485 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001087314685 1082986342 /nfs/dbraw/zinc/98/63/42/1082986342.db2.gz PDDNIDMCIMFPSB-HSFUPAIVSA-N 0 3 316.489 3.051 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1csc(Cl)n1)c1ccccc1 ZINC001267524973 1082986734 /nfs/dbraw/zinc/98/67/34/1082986734.db2.gz JENCHQYNBSESNZ-LBPRGKRZSA-N 0 3 321.833 3.043 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccc(C)c3C)C(C)(C)[C@H]21 ZINC001087315530 1082986799 /nfs/dbraw/zinc/98/67/99/1082986799.db2.gz DIOJOUNAKPOLPR-QRVBRYPASA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)c(C)c3)C(C)(C)[C@H]21 ZINC001087316927 1082988423 /nfs/dbraw/zinc/98/84/23/1082988423.db2.gz ZKKDXTWSWUKAOV-QRVBRYPASA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cccn1C(C)C)c1ccccc1 ZINC001267527030 1082990076 /nfs/dbraw/zinc/99/00/76/1082990076.db2.gz ZVFLJMXHMFHESI-GOSISDBHSA-N 0 3 323.440 3.153 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(Cc2cc(C)ns2)C1 ZINC001267535593 1082997281 /nfs/dbraw/zinc/99/72/81/1082997281.db2.gz BGBWKGUVHROROV-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001170634272 1082998802 /nfs/dbraw/zinc/99/88/02/1082998802.db2.gz HIAIAMGYEPRXRT-SNVBAGLBSA-N 0 3 321.273 3.353 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCC)[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001267546492 1083015446 /nfs/dbraw/zinc/01/54/46/1083015446.db2.gz PQCLJJMWSMJAHA-IBGZPJMESA-N 0 3 310.441 3.171 20 30 DGEDHN CCCC(CCC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001133023524 1083030354 /nfs/dbraw/zinc/03/03/54/1083030354.db2.gz PNIWQLDUTJIJLM-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN CCCC(CCC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001133023440 1083030822 /nfs/dbraw/zinc/03/08/22/1083030822.db2.gz MFLJQGYXEPWZCH-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CC1(CC(=O)NCC[C@@H]2CCN(CCF)C2)CCCCC1 ZINC001267566308 1083046999 /nfs/dbraw/zinc/04/69/99/1083046999.db2.gz CXCOKYLBVSXTKC-MRXNPFEDSA-N 0 3 310.457 3.311 20 30 DGEDHN C=CCCC(=O)NCCN(CC)[C@H]1CCc2ccc(F)cc21 ZINC001480964283 1083051572 /nfs/dbraw/zinc/05/15/72/1083051572.db2.gz QJLFHWWHIYWAQX-KRWDZBQOSA-N 0 3 304.409 3.217 20 30 DGEDHN C=C(C)CCC(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001480977695 1083057763 /nfs/dbraw/zinc/05/77/63/1083057763.db2.gz YMZXPYRTXMCBMG-UHFFFAOYSA-N 0 3 306.425 3.429 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccc(C)c2F)C1 ZINC001086701102 1083062539 /nfs/dbraw/zinc/06/25/39/1083062539.db2.gz DKZXGYQLKVAIAT-UONOGXRCSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001133378958 1083110108 /nfs/dbraw/zinc/11/01/08/1083110108.db2.gz PMZOMYRBUDSUBC-IBGZPJMESA-N 0 3 317.477 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1C ZINC001104563064 1083114297 /nfs/dbraw/zinc/11/42/97/1083114297.db2.gz IHIDYIUJKDTVED-TZMCWYRMSA-N 0 3 310.825 3.028 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(Cl)c(F)c2)CCC1 ZINC001133392287 1083114332 /nfs/dbraw/zinc/11/43/32/1083114332.db2.gz PWOVKWRXLHLJKH-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133540542 1083146078 /nfs/dbraw/zinc/14/60/78/1083146078.db2.gz NABYSWNTCVWJEC-KBPBESRZSA-N 0 3 319.424 3.116 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c3ccccc3n2)CC1 ZINC000106035951 1083148167 /nfs/dbraw/zinc/14/81/67/1083148167.db2.gz QGSVCUYLSCLJFB-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001481073485 1083149749 /nfs/dbraw/zinc/14/97/49/1083149749.db2.gz NGIGTTZDVUUWTR-QGZVFWFLSA-N 0 3 312.457 3.183 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133586220 1083156882 /nfs/dbraw/zinc/15/68/82/1083156882.db2.gz MPPQZGLLIUNAQA-ZIAGYGMSSA-N 0 3 317.408 3.036 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133606621 1083164347 /nfs/dbraw/zinc/16/43/47/1083164347.db2.gz MRNFCMKWQLEBDR-HOTGVXAUSA-N 0 3 315.461 3.367 20 30 DGEDHN CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133707541 1083177188 /nfs/dbraw/zinc/17/71/88/1083177188.db2.gz ILPBOQGJMKUSDH-CABCVRRESA-N 0 3 301.434 3.121 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)CC(C)(C)C)NCc1ccccc1C#N ZINC001133731313 1083185453 /nfs/dbraw/zinc/18/54/53/1083185453.db2.gz NGNYTZIFUUZASY-GJZGRUSLSA-N 0 3 315.461 3.367 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CC(C)(C)C ZINC001133730704 1083185476 /nfs/dbraw/zinc/18/54/76/1083185476.db2.gz GIDHKQFTGXBNRN-NEPJUHHUSA-N 0 3 319.287 3.204 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CC(C)(C)C ZINC001133730706 1083185638 /nfs/dbraw/zinc/18/56/38/1083185638.db2.gz GIDHKQFTGXBNRN-RYUDHWBXSA-N 0 3 319.287 3.204 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)C(CC)CC ZINC001133769567 1083194267 /nfs/dbraw/zinc/19/42/67/1083194267.db2.gz QVWKFGDYEHBMDH-RYUDHWBXSA-N 0 3 319.287 3.204 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001267618870 1083219217 /nfs/dbraw/zinc/21/92/17/1083219217.db2.gz UHKBYVXNZFONMU-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCN(C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1)C1CCN(C)CC1 ZINC001134044212 1083231105 /nfs/dbraw/zinc/23/11/05/1083231105.db2.gz UIPQCYGJUUTMJO-DLBZAZTESA-N 0 3 318.505 3.395 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001134047637 1083231829 /nfs/dbraw/zinc/23/18/29/1083231829.db2.gz PVOVBWJPVXELJX-ODYZYYDOSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)CN(CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC001481196082 1083238357 /nfs/dbraw/zinc/23/83/57/1083238357.db2.gz QLZIGIDRHZOCQT-UHFFFAOYSA-N 0 3 316.489 3.360 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001267723005 1083283486 /nfs/dbraw/zinc/28/34/86/1083283486.db2.gz UNYRWEAGFSUNHM-FQEVSTJZSA-N 0 3 320.436 3.334 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001134410238 1083285218 /nfs/dbraw/zinc/28/52/18/1083285218.db2.gz KQFSKZQQZJYATH-UHFFFAOYSA-N 0 3 300.402 3.241 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@H](C)NCc1conc1C ZINC001134419268 1083287305 /nfs/dbraw/zinc/28/73/05/1083287305.db2.gz VPGXSQUYLJRGMB-KBPBESRZSA-N 0 3 319.449 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001134457698 1083295899 /nfs/dbraw/zinc/29/58/99/1083295899.db2.gz RYNOAUYDYIKPOJ-QWHCGFSZSA-N 0 3 321.465 3.267 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN([C@H](C)c2cccc(OC)c2)C1 ZINC001267757358 1083323191 /nfs/dbraw/zinc/32/31/91/1083323191.db2.gz BUSSEEZKAVQISZ-WBVHZDCISA-N 0 3 316.445 3.255 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001267767871 1083331085 /nfs/dbraw/zinc/33/10/85/1083331085.db2.gz LRKSKTPTZJGCET-IBGZPJMESA-N 0 3 314.473 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001267768981 1083332007 /nfs/dbraw/zinc/33/20/07/1083332007.db2.gz UEFUKQZKFPOZDT-SFHVURJKSA-N 0 3 314.473 3.494 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001267772070 1083334938 /nfs/dbraw/zinc/33/49/38/1083334938.db2.gz AAABKLPNCCOAJW-IAGOWNOFSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCc2ccc(F)cc2)C1 ZINC001267791435 1083349847 /nfs/dbraw/zinc/34/98/47/1083349847.db2.gz UUQBTUKDKBZIRK-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccccc1F)C1CC1 ZINC001267847456 1083437264 /nfs/dbraw/zinc/43/72/64/1083437264.db2.gz UHQBRUXITSYLTN-MRXNPFEDSA-N 0 3 310.800 3.066 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2ccccn2)CCCC[C@H]1C ZINC001267867497 1083486082 /nfs/dbraw/zinc/48/60/82/1083486082.db2.gz GMHQLODANPSCME-VQIMIIECSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001267937794 1083602071 /nfs/dbraw/zinc/60/20/71/1083602071.db2.gz XCXNOBDUQWZDEE-UONOGXRCSA-N 0 3 321.490 3.254 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2(CC)CCCC2)cc1 ZINC001267939683 1083603805 /nfs/dbraw/zinc/60/38/05/1083603805.db2.gz RXJCWYIIVIYLAT-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)cc2)cc1 ZINC001267938923 1083605677 /nfs/dbraw/zinc/60/56/77/1083605677.db2.gz CRGDPCDHALPASG-UHFFFAOYSA-N 0 3 306.409 3.038 20 30 DGEDHN COc1ccc(C#CC(=O)NCCP(C(C)C)C(C)C)cc1 ZINC001182050752 1083618185 /nfs/dbraw/zinc/61/81/85/1083618185.db2.gz ROHZGDMPJVXJAE-UHFFFAOYSA-N 0 3 319.385 3.462 20 30 DGEDHN CCCCN(CC)[C@H](C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC001182231422 1083648970 /nfs/dbraw/zinc/64/89/70/1083648970.db2.gz ITCCMDCZFYYUNH-KRWDZBQOSA-N 0 3 313.445 3.412 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)CN[C@H](C)c1c(F)cccc1F ZINC001267978708 1083690221 /nfs/dbraw/zinc/69/02/21/1083690221.db2.gz DPGJKNXOWWUMBU-QWHCGFSZSA-N 0 3 310.388 3.334 20 30 DGEDHN Cc1cccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)c1C ZINC001481309738 1083748293 /nfs/dbraw/zinc/74/82/93/1083748293.db2.gz FMILGTSVMMOKIQ-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CCCC2)C1 ZINC001087419509 1083802397 /nfs/dbraw/zinc/80/23/97/1083802397.db2.gz IYUVKAMXZOSWGG-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)C1CCC1)c1ccccc1 ZINC001481366138 1083825597 /nfs/dbraw/zinc/82/55/97/1083825597.db2.gz VWUCNJYFRSGFGP-MAUKXSAKSA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)C1CCC1)c1ccccc1 ZINC001481366137 1083826558 /nfs/dbraw/zinc/82/65/58/1083826558.db2.gz VWUCNJYFRSGFGP-CRAIPNDOSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1C[C@H]1CC(C)C)c1ccccc1 ZINC001481370845 1083831316 /nfs/dbraw/zinc/83/13/16/1083831316.db2.gz MZSFXZXXMHCUOZ-QRVBRYPASA-N 0 3 312.457 3.139 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H](N(CCC)C(=O)C(=O)C(C)(C)C)C1 ZINC001481396287 1083859981 /nfs/dbraw/zinc/85/99/81/1083859981.db2.gz KFRRSAQTDMGWMN-JKSUJKDBSA-N 0 3 322.493 3.269 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001481406405 1083878259 /nfs/dbraw/zinc/87/82/59/1083878259.db2.gz IRLVUPDVLFRXDJ-FGTMMUONSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001481524698 1084073521 /nfs/dbraw/zinc/07/35/21/1084073521.db2.gz PLUUBUFHQACBHR-HXUWFJFHSA-N 0 3 324.468 3.059 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001481536900 1084106098 /nfs/dbraw/zinc/10/60/98/1084106098.db2.gz SQUZZLJONULHFS-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3sccc3[nH]1)C2 ZINC001098155279 1084166242 /nfs/dbraw/zinc/16/62/42/1084166242.db2.gz GDKICSQUHJSWDK-KYOSRNDESA-N 0 3 315.442 3.141 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@@H](C)NC/C(Cl)=C/Cl)C1 ZINC001268172042 1084281559 /nfs/dbraw/zinc/28/15/59/1084281559.db2.gz YHWXCWYRDWUBSD-JLLHCWJZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@H](C)NC/C(Cl)=C\Cl)C1 ZINC001268172043 1084281909 /nfs/dbraw/zinc/28/19/09/1084281909.db2.gz YHWXCWYRDWUBSD-OQPMYKDASA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccns1 ZINC001268194217 1084302446 /nfs/dbraw/zinc/30/24/46/1084302446.db2.gz XYVKOUSNGOLLHA-GOEBONIOSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCCN1CCC[C@]12CCN(CC(=O)C(C)(C)C)C2=O ZINC001273495285 1084306491 /nfs/dbraw/zinc/30/64/91/1084306491.db2.gz SHBAWMLTGYKMPT-LJQANCHMSA-N 0 3 320.477 3.025 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001185056950 1084324043 /nfs/dbraw/zinc/32/40/43/1084324043.db2.gz WNKBLOBNBHRPPW-NVXWUHKLSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001207634326 1084332641 /nfs/dbraw/zinc/33/26/41/1084332641.db2.gz AYAVOAFJQTYFQW-GFCCVEGCSA-N 0 3 312.866 3.448 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1c(C)noc1C)C(C)C ZINC001268215992 1084338986 /nfs/dbraw/zinc/33/89/86/1084338986.db2.gz FKTDIURYYUPQAL-SJLPKXTDSA-N 0 3 321.465 3.124 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001268241393 1084392049 /nfs/dbraw/zinc/39/20/49/1084392049.db2.gz ZTZLKVXDKPDQFN-SFHVURJKSA-N 0 3 300.446 3.073 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCO1 ZINC001481669088 1084462562 /nfs/dbraw/zinc/46/25/62/1084462562.db2.gz WBAAOEFPDXWNQJ-BZSNNMDCSA-N 0 3 322.493 3.201 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)c1ccccc1 ZINC001481683148 1084473108 /nfs/dbraw/zinc/47/31/08/1084473108.db2.gz OJCGRHBAJBMIOK-SLFFLAALSA-N 0 3 324.468 3.432 20 30 DGEDHN C#CCCOC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001185763414 1084520691 /nfs/dbraw/zinc/52/06/91/1084520691.db2.gz XGGKJEGTAOPMML-GOSISDBHSA-N 0 3 314.429 3.209 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001481717251 1084520947 /nfs/dbraw/zinc/52/09/47/1084520947.db2.gz PEUKGORLJOVJEI-HNNXBMFYSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001481717252 1084521844 /nfs/dbraw/zinc/52/18/44/1084521844.db2.gz PEUKGORLJOVJEI-OAHLLOKOSA-N 0 3 321.490 3.344 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCN[C@H](C)c1c(F)cccc1F ZINC001268362462 1084526071 /nfs/dbraw/zinc/52/60/71/1084526071.db2.gz FMDOHGSFMFCUDX-UONOGXRCSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ccncc1Cl ZINC001268388490 1084550699 /nfs/dbraw/zinc/55/06/99/1084550699.db2.gz CHKNSUFQBFWPGW-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H]1CCCC1(F)F ZINC001268393607 1084557566 /nfs/dbraw/zinc/55/75/66/1084557566.db2.gz KOKDSKPQYOGGRK-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1ccncc1Cl ZINC001268397287 1084560042 /nfs/dbraw/zinc/56/00/42/1084560042.db2.gz PFGUZZJBXMHETP-SUMWQHHRSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(CCOCC)CCCC2)C1 ZINC001481744171 1084564144 /nfs/dbraw/zinc/56/41/44/1084564144.db2.gz UKFPCSQYZPIGEQ-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001186040021 1084580870 /nfs/dbraw/zinc/58/08/70/1084580870.db2.gz BERXABHYZLCIDK-MSOLQXFVSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccccc2)C1 ZINC001481778020 1084628432 /nfs/dbraw/zinc/62/84/32/1084628432.db2.gz LXGQNVBQDUQWGR-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccccc2)C1 ZINC001481780007 1084630296 /nfs/dbraw/zinc/63/02/96/1084630296.db2.gz YBUQGXMYJGKZAA-HKUYNNGSSA-N 0 3 312.457 3.126 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)C)NCC#Cc1ccc(Cl)cc1 ZINC001481784466 1084631751 /nfs/dbraw/zinc/63/17/51/1084631751.db2.gz LLGXCBYQAWPRIE-QGZVFWFLSA-N 0 3 320.864 3.222 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001481782122 1084635078 /nfs/dbraw/zinc/63/50/78/1084635078.db2.gz NBUPJQAGSMIZOM-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1cccc(Cl)c1F ZINC001481809479 1084645488 /nfs/dbraw/zinc/64/54/88/1084645488.db2.gz UNIVXLULTFXZSJ-CQSZACIVSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CCCC1 ZINC001481899616 1084694755 /nfs/dbraw/zinc/69/47/55/1084694755.db2.gz BPHOHMRULWJSKG-KFWWJZLASA-N 0 3 310.869 3.194 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@@H]23)cc1F ZINC001186873100 1084712857 /nfs/dbraw/zinc/71/28/57/1084712857.db2.gz STYCKIQUYUQJQE-HIFRSBDPSA-N 0 3 318.352 3.034 20 30 DGEDHN C#CCC1(C(=O)N(CC)CCNC[C@@H](F)CC)CCCCC1 ZINC001268500476 1084734756 /nfs/dbraw/zinc/73/47/56/1084734756.db2.gz ZUZNCFGPXIXABZ-INIZCTEOSA-N 0 3 310.457 3.146 20 30 DGEDHN C#CCC1(C(=O)N(CC)CCNC[C@H](F)CC)CCCCC1 ZINC001268500477 1084734797 /nfs/dbraw/zinc/73/47/97/1084734797.db2.gz ZUZNCFGPXIXABZ-MRXNPFEDSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001187191117 1084767772 /nfs/dbraw/zinc/76/77/72/1084767772.db2.gz FFAKWOWPHHSDDX-MAUKXSAKSA-N 0 3 316.420 3.133 20 30 DGEDHN C=CCCC(=O)NC/C=C/CN[C@H]1CCCc2ccc(F)cc21 ZINC001268521966 1084782637 /nfs/dbraw/zinc/78/26/37/1084782637.db2.gz GQJCEOUICLCIHI-WRFKIARRSA-N 0 3 316.420 3.431 20 30 DGEDHN CN(C)Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2F)cc1 ZINC001187293401 1084784040 /nfs/dbraw/zinc/78/40/40/1084784040.db2.gz GTJJMOJYZQBABZ-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN C=CCCC[NH+]1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001482038071 1084791578 /nfs/dbraw/zinc/79/15/78/1084791578.db2.gz WHYBLUBWKKRSGH-UHFFFAOYSA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)CNCc1c(F)cccc1Cl ZINC001482086534 1084829694 /nfs/dbraw/zinc/82/96/94/1084829694.db2.gz VRYJTZWYDCEVEE-GFCCVEGCSA-N 0 3 312.816 3.287 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CNCc1sccc1Cl ZINC001268642794 1084908873 /nfs/dbraw/zinc/90/88/73/1084908873.db2.gz QYWFLXMRYLSCAS-GFCCVEGCSA-N 0 3 312.866 3.189 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC1CCCCC1 ZINC001268679413 1084940084 /nfs/dbraw/zinc/94/00/84/1084940084.db2.gz CSECIBXTUQSQIF-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001268683100 1084944061 /nfs/dbraw/zinc/94/40/61/1084944061.db2.gz XJNHWJBUTZDYKC-HNNXBMFYSA-N 0 3 312.413 3.221 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1=CCCCCC1 ZINC001268684350 1084944706 /nfs/dbraw/zinc/94/47/06/1084944706.db2.gz NSBVUZVTEXSRBS-KRWDZBQOSA-N 0 3 310.441 3.023 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001268687847 1084946976 /nfs/dbraw/zinc/94/69/76/1084946976.db2.gz JFIIORDIMXAMGS-NSHDSACASA-N 0 3 300.855 3.352 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](CC)Cc1ccccc1C ZINC001268750483 1085022908 /nfs/dbraw/zinc/02/29/08/1085022908.db2.gz BJOLMRWRJGROMD-DLBZAZTESA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCOCCN(C)C[C@H](C)NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001268758379 1085035361 /nfs/dbraw/zinc/03/53/61/1085035361.db2.gz BZTGBRLEHQXWKZ-PKOBYXMFSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1cccc(Cl)c1F ZINC001268784153 1085051962 /nfs/dbraw/zinc/05/19/62/1085051962.db2.gz STPZCQKJWMBGEY-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCNCc1cccc(Cl)c1F ZINC001268792085 1085053854 /nfs/dbraw/zinc/05/38/54/1085053854.db2.gz WNCBHOKFXRPKHF-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN C=CCCCC(=O)NCC1CN(CCc2ccc(Cl)cc2)C1 ZINC001268866856 1085071270 /nfs/dbraw/zinc/07/12/70/1085071270.db2.gz BXYXVUYEYCHYRG-UHFFFAOYSA-N 0 3 320.864 3.287 20 30 DGEDHN C#Cc1ccccc1CC(=O)NCC1CN(CC/C=C\CCC)C1 ZINC001268900925 1085078075 /nfs/dbraw/zinc/07/80/75/1085078075.db2.gz QXWRGELXVDJKOM-SREVYHEPSA-N 0 3 324.468 3.005 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cs1 ZINC001268939050 1085083099 /nfs/dbraw/zinc/08/30/99/1085083099.db2.gz ACJMCRJNXHQHDR-KKUMJFAQSA-N 0 3 304.459 3.310 20 30 DGEDHN C=CC[C@@H](C)C(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001268965833 1085087868 /nfs/dbraw/zinc/08/78/68/1085087868.db2.gz ATHZBTSTJPBJID-CYBMUJFWSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CC[C@H](C)C(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001268965835 1085088527 /nfs/dbraw/zinc/08/85/27/1085088527.db2.gz ATHZBTSTJPBJID-ZDUSSCGKSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CC[C@@H](C)C(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001268967902 1085091604 /nfs/dbraw/zinc/09/16/04/1085091604.db2.gz GJWGWEMROGHGHG-APWZRJJASA-N 0 3 315.461 3.041 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001269034085 1085102692 /nfs/dbraw/zinc/10/26/92/1085102692.db2.gz PBFOBNKSDVGXOH-HNNXBMFYSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccc(F)c(F)c1)C1CC1 ZINC001269074508 1085114061 /nfs/dbraw/zinc/11/40/61/1085114061.db2.gz BVLMMOPPUAAXRW-QGZVFWFLSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001269165679 1085174159 /nfs/dbraw/zinc/17/41/59/1085174159.db2.gz IEMDOKBASFYOIN-PBHICJAKSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001269171786 1085175860 /nfs/dbraw/zinc/17/58/60/1085175860.db2.gz BMQGTFDPRMUXGX-ZWKOTPCHSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2cc(C)sc2C)C1 ZINC001269199551 1085197114 /nfs/dbraw/zinc/19/71/14/1085197114.db2.gz KFJKPWBRRISSID-QGZVFWFLSA-N 0 3 320.502 3.454 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001269255674 1085240223 /nfs/dbraw/zinc/24/02/23/1085240223.db2.gz SECHTBGNOGPLCU-XFHJGTJQSA-N 0 3 316.420 3.386 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1CC/C=C\c1ccccc1 ZINC001269278806 1085261766 /nfs/dbraw/zinc/26/17/66/1085261766.db2.gz PMHPWYXHOMZYOB-CXOXVUTBSA-N 0 3 324.468 3.474 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN([C@H](C)c2cccc(C)c2)C1 ZINC001269323700 1085300619 /nfs/dbraw/zinc/30/06/19/1085300619.db2.gz AVEYIEVHWKYKAL-YLJYHZDGSA-N 0 3 324.468 3.392 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001269332901 1085312052 /nfs/dbraw/zinc/31/20/52/1085312052.db2.gz ROLWXNUVVVOTMU-INIZCTEOSA-N 0 3 315.461 3.054 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001269332904 1085312106 /nfs/dbraw/zinc/31/21/06/1085312106.db2.gz ROLWXNUVVVOTMU-MRXNPFEDSA-N 0 3 315.461 3.054 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001269349500 1085326426 /nfs/dbraw/zinc/32/64/26/1085326426.db2.gz CGEIHGUFDFZVGE-WXJALIKYSA-N 0 3 316.489 3.215 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001269355870 1085331979 /nfs/dbraw/zinc/33/19/79/1085331979.db2.gz KCLVSPRSVJVTSO-KRWDZBQOSA-N 0 3 314.473 3.429 20 30 DGEDHN CC[C@@H](C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001269371160 1085346089 /nfs/dbraw/zinc/34/60/89/1085346089.db2.gz BSFZHFCTXKIGIT-RHSMWYFYSA-N 0 3 320.864 3.222 20 30 DGEDHN CC1(C)C[C@@H]1C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001482216197 1085348105 /nfs/dbraw/zinc/34/81/05/1085348105.db2.gz ARTMCHOQJBZMLB-GOSISDBHSA-N 0 3 324.468 3.103 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001269399274 1085366284 /nfs/dbraw/zinc/36/62/84/1085366284.db2.gz ZHPYEESVTSZWNY-IEBWSBKVSA-N 0 3 314.473 3.349 20 30 DGEDHN CC#CCCCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001269468981 1085403477 /nfs/dbraw/zinc/40/34/77/1085403477.db2.gz PGWKDIIKCFXBAK-HNNXBMFYSA-N 0 3 316.420 3.319 20 30 DGEDHN CC(C)(C)C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001482236625 1085522703 /nfs/dbraw/zinc/52/27/03/1085522703.db2.gz MSKARDSDPOOSBQ-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001269743084 1085550428 /nfs/dbraw/zinc/55/04/28/1085550428.db2.gz XFZRRDUWAZJVIX-LJQANCHMSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](CCCC)C(C)C)C2)C1 ZINC001269745687 1085550741 /nfs/dbraw/zinc/55/07/41/1085550741.db2.gz RHTHDDKNLVVERK-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN CCN1CCC[C@@H](Oc2cc(Br)ccc2C#N)C1 ZINC001225786627 1085626261 /nfs/dbraw/zinc/62/62/61/1085626261.db2.gz QRNFPYWVOHFNMO-CYBMUJFWSA-N 0 3 309.207 3.184 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCc1cncc(C)c1 ZINC001270058061 1085674018 /nfs/dbraw/zinc/67/40/18/1085674018.db2.gz BLJDJTGCCDZJJM-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC(C)(C)C2CC2)cc1 ZINC001270061138 1085675499 /nfs/dbraw/zinc/67/54/99/1085675499.db2.gz XKRIOFJSNIUZGW-UHFFFAOYSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(C)(C)C(C)(F)F)cc1 ZINC001270081802 1085682782 /nfs/dbraw/zinc/68/27/82/1085682782.db2.gz IXTLFBHGIBXZJG-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H](C)C(C)(C)C ZINC001482299735 1085879532 /nfs/dbraw/zinc/87/95/32/1085879532.db2.gz SWFUXMSFWKNVQJ-IAGOWNOFSA-N 0 3 314.473 3.157 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001482317520 1085951228 /nfs/dbraw/zinc/95/12/28/1085951228.db2.gz RPXDDDFMAAWOBW-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN CC/C=C(/C)C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001270721354 1085965184 /nfs/dbraw/zinc/96/51/84/1085965184.db2.gz XACIFHDTDDTZPE-ZDLGFXPLSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCCC(=O)N1CCC(CNCc2nc(C)c(C)s2)CC1 ZINC001204748572 1085992179 /nfs/dbraw/zinc/99/21/79/1085992179.db2.gz NVDGXZVKPYNTOM-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)cc(F)c1)C2 ZINC001143585447 1086093059 /nfs/dbraw/zinc/09/30/59/1086093059.db2.gz ADZWKIQRYMMEQE-RTBURBONSA-N 0 3 319.420 3.460 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001105388776 1086125135 /nfs/dbraw/zinc/12/51/35/1086125135.db2.gz BSSDDAOSFPBXQC-AEFFLSMTSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001270974494 1086227092 /nfs/dbraw/zinc/22/70/92/1086227092.db2.gz PYLIDHMVQOVYQE-KRWDZBQOSA-N 0 3 316.436 3.462 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001271007818 1086247991 /nfs/dbraw/zinc/24/79/91/1086247991.db2.gz RYHIUBANNASFJX-KRWDZBQOSA-N 0 3 306.475 3.383 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001482453627 1086277400 /nfs/dbraw/zinc/27/74/00/1086277400.db2.gz CAFDDLZHBJYCGD-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)noc2CCC)[C@H]1CC ZINC001087569696 1086307983 /nfs/dbraw/zinc/30/79/83/1086307983.db2.gz ISGVQFRWITYWQS-LSDHHAIUSA-N 0 3 319.449 3.094 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@H]1CC ZINC001087610772 1086326716 /nfs/dbraw/zinc/32/67/16/1086326716.db2.gz CZHLPOUVWUYPCP-LSDHHAIUSA-N 0 3 319.449 3.265 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@H]1CC ZINC001087624975 1086332058 /nfs/dbraw/zinc/33/20/58/1086332058.db2.gz KIUFCVBNCYQDES-HSALFYBXSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)[C@H]1CC ZINC001087660950 1086345370 /nfs/dbraw/zinc/34/53/70/1086345370.db2.gz LROACERBGXRIMS-FGTMMUONSA-N 0 3 316.420 3.011 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)[C@H]1CC ZINC001087679059 1086354558 /nfs/dbraw/zinc/35/45/58/1086354558.db2.gz TYFJCQZFWKPFNI-CMPLNLGQSA-N 0 3 316.232 3.090 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H]1CC ZINC001087730676 1086382836 /nfs/dbraw/zinc/38/28/36/1086382836.db2.gz WPRYDKSFMUUFDG-ZWKOTPCHSA-N 0 3 313.445 3.036 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1CC ZINC001087725465 1086383344 /nfs/dbraw/zinc/38/33/44/1086383344.db2.gz PSXMITAUEYJNIC-JKSUJKDBSA-N 0 3 301.434 3.051 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)[C@H]1CC ZINC001087738745 1086386851 /nfs/dbraw/zinc/38/68/51/1086386851.db2.gz QUCHHHXZGSWLHT-JKSUJKDBSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)[C@H]1CC ZINC001087753661 1086396686 /nfs/dbraw/zinc/39/66/86/1086396686.db2.gz RZZYWOOBCJAUIU-YJTLQXIOSA-N 0 3 304.478 3.358 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc32)[C@H]1CC ZINC001087768706 1086402794 /nfs/dbraw/zinc/40/27/94/1086402794.db2.gz PTNQPZPCHBBCEF-YZGWKJHDSA-N 0 3 324.468 3.099 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H]1CC ZINC001087806997 1086419686 /nfs/dbraw/zinc/41/96/86/1086419686.db2.gz LMSSUWDZTLEDMC-PKOBYXMFSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2OC)[C@H]1CC ZINC001087818860 1086425844 /nfs/dbraw/zinc/42/58/44/1086425844.db2.gz RLEPDYKMQUXSPL-LSDHHAIUSA-N 0 3 322.836 3.117 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2cnc(C)o2)C1 ZINC001482476885 1086508501 /nfs/dbraw/zinc/50/85/01/1086508501.db2.gz YRACLULRULCJRV-HOCLYGCPSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C3CCCC3)C[C@@H]2C1 ZINC001087995942 1086519924 /nfs/dbraw/zinc/51/99/24/1086519924.db2.gz MYXWXSHZMZDNGY-SJORKVTESA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CC3(C)CCCCC3)C[C@@H]2C1 ZINC001088035762 1086532066 /nfs/dbraw/zinc/53/20/66/1086532066.db2.gz BLXSDUWXDOPCBV-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001088066081 1086539864 /nfs/dbraw/zinc/53/98/64/1086539864.db2.gz VCKFMGQAPGLYDI-CVEARBPZSA-N 0 3 318.486 3.241 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](CNCC=C(Cl)Cl)CC(C)C ZINC001271261426 1086559044 /nfs/dbraw/zinc/55/90/44/1086559044.db2.gz LDRAPXDBAHGQDB-ZDUSSCGKSA-N 0 3 319.276 3.085 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC3CCCC3)C[C@@H]2C1 ZINC001088128516 1086617126 /nfs/dbraw/zinc/61/71/26/1086617126.db2.gz TUXGSQHLYITMNE-UHOSZYNNSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)CC3CCCC3)C[C@@H]2C1 ZINC001088128321 1086617261 /nfs/dbraw/zinc/61/72/61/1086617261.db2.gz JYTIZVZFUSEQBX-QRVBRYPASA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001271476106 1086666684 /nfs/dbraw/zinc/66/66/84/1086666684.db2.gz SEQCOOJXQOWFAZ-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001271531637 1086674340 /nfs/dbraw/zinc/67/43/40/1086674340.db2.gz NXCJPEFZNIVGEJ-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(Br)CN[C@H]1CCCCCN(C(=O)CCC)C1 ZINC001088250358 1086721324 /nfs/dbraw/zinc/72/13/24/1086721324.db2.gz OVNSVKAUTKVEHE-ZDUSSCGKSA-N 0 3 317.271 3.056 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001088260699 1086735532 /nfs/dbraw/zinc/73/55/32/1086735532.db2.gz LWPBQTGGYSWOIU-CVEARBPZSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cncc(C)c2)C1 ZINC001088286504 1086763071 /nfs/dbraw/zinc/76/30/71/1086763071.db2.gz CKZKZPKKLXTERH-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2ccc(C)o2)C1 ZINC001088298974 1086774869 /nfs/dbraw/zinc/77/48/69/1086774869.db2.gz AOQMVRZAKVURPS-OAHLLOKOSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC001088302506 1086777607 /nfs/dbraw/zinc/77/76/07/1086777607.db2.gz CEEPZPUOMQDRJU-ROJDOSBLSA-N 0 3 321.852 3.141 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2coc(C)c2)C1 ZINC001088302575 1086777730 /nfs/dbraw/zinc/77/77/30/1086777730.db2.gz DYCNYDOARWUUEN-HNNXBMFYSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001088362349 1086856072 /nfs/dbraw/zinc/85/60/72/1086856072.db2.gz QLTJEHYRFRRFFH-DOTOQJQBSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCc2cncs2)C1 ZINC001088360350 1086860146 /nfs/dbraw/zinc/86/01/46/1086860146.db2.gz WTADLQUTEGJZTQ-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C[C@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)C#CC1CC1 ZINC001272014188 1086969705 /nfs/dbraw/zinc/96/97/05/1086969705.db2.gz XSPGOYYHASCEHE-CQSZACIVSA-N 0 3 318.848 3.205 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1CCC(C)CC1 ZINC001168217762 1087060803 /nfs/dbraw/zinc/06/08/03/1087060803.db2.gz OCJHLHJZMVBWGU-VMBOVVBDSA-N 0 3 303.450 3.101 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCN(C)CCc2ccccc2)CC1 ZINC001482625551 1087091941 /nfs/dbraw/zinc/09/19/41/1087091941.db2.gz ZRRVGFGICBRYCN-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1csc2c1CC[C@H](C)C2 ZINC001482647935 1087101346 /nfs/dbraw/zinc/10/13/46/1087101346.db2.gz VUVMJHODWNISDB-ZDUSSCGKSA-N 0 3 306.475 3.063 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001482652634 1087103248 /nfs/dbraw/zinc/10/32/48/1087103248.db2.gz YYZBCWJYBIKPKB-GDBMZVCRSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1cccc(C)c1 ZINC001505831508 1087156736 /nfs/dbraw/zinc/15/67/36/1087156736.db2.gz WVDYXOVIYIXCBS-UHFFFAOYSA-N 0 3 322.880 3.364 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001482858988 1087174065 /nfs/dbraw/zinc/17/40/65/1087174065.db2.gz FJSFIZSJRHURPM-MRVPVSSYSA-N 0 3 324.639 3.172 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H](C)CCNCC(=C)Cl)c1ccccc1 ZINC001482902986 1087185083 /nfs/dbraw/zinc/18/50/83/1087185083.db2.gz VWQZPVVKVSGPGM-GOEBONIOSA-N 0 3 306.837 3.193 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CNCc1ccc(Cl)cc1C ZINC001483001156 1087229366 /nfs/dbraw/zinc/22/93/66/1087229366.db2.gz ANGUKDVWONBLOO-VOTSOKGWSA-N 0 3 318.848 3.214 20 30 DGEDHN C[C@H](C(=O)NC/C=C\CNCc1cccc(C#N)c1)C(C)(C)C ZINC001483025009 1087238990 /nfs/dbraw/zinc/23/89/90/1087238990.db2.gz ZPZOLRVPAMNREB-IYKSTZQJSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1csc2ccccc12 ZINC001142507483 1087274182 /nfs/dbraw/zinc/27/41/82/1087274182.db2.gz AKTULTFWFMBOEI-HNNXBMFYSA-N 0 3 314.454 3.210 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001483058620 1087311543 /nfs/dbraw/zinc/31/15/43/1087311543.db2.gz JZNSVTVMPRQVOI-ZPUOCTKUSA-N 0 3 312.457 3.028 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCc3c2cccc3Cl)[C@H]1C ZINC001088751596 1087331400 /nfs/dbraw/zinc/33/14/00/1087331400.db2.gz WGCQOOLFFHYNSU-PVUWLOKVSA-N 0 3 318.848 3.135 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001483076983 1087332610 /nfs/dbraw/zinc/33/26/10/1087332610.db2.gz OYXHONDDGZIPRV-DZEZYYDTSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1C ZINC001088785157 1087353543 /nfs/dbraw/zinc/35/35/43/1087353543.db2.gz OKPXHEFNHGMJBF-DOMZBBRYSA-N 0 3 315.392 3.076 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001483179397 1087411830 /nfs/dbraw/zinc/41/18/30/1087411830.db2.gz BGSRSCXZVRJDFY-HZPDHXFCSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCC(C)C)C1 ZINC001102653952 1087417631 /nfs/dbraw/zinc/41/76/31/1087417631.db2.gz NEMKNRJXJQBWFD-UKRRQHHQSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001483319850 1087468733 /nfs/dbraw/zinc/46/87/33/1087468733.db2.gz LSPXPXBZMONPNM-OAHLLOKOSA-N 0 3 311.429 3.138 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccnc(Cl)c1)C1CC1 ZINC001483562895 1087526056 /nfs/dbraw/zinc/52/60/56/1087526056.db2.gz MMDSYFGMBVRFDP-OAHLLOKOSA-N 0 3 321.852 3.076 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)o2)[C@H]1C ZINC001088875112 1087593334 /nfs/dbraw/zinc/59/33/34/1087593334.db2.gz QRECVAVVTNNHPX-WBVHZDCISA-N 0 3 322.408 3.163 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001099038675 1087598259 /nfs/dbraw/zinc/59/82/59/1087598259.db2.gz MEONLRYKROLAQC-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)[C@H]1C ZINC001088908952 1087602449 /nfs/dbraw/zinc/60/24/49/1087602449.db2.gz BIOJZODYZQDIBN-LULLPPNCSA-N 0 3 312.457 3.172 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1C ZINC001088912550 1087603454 /nfs/dbraw/zinc/60/34/54/1087603454.db2.gz DWRFCDRFAKUGNF-ZFVVBOAOSA-N 0 3 318.848 3.209 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001483655685 1087607124 /nfs/dbraw/zinc/60/71/24/1087607124.db2.gz RNLCSXGFYFYQFK-TZMCWYRMSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)[C@H]1C ZINC001089021305 1087622772 /nfs/dbraw/zinc/62/27/72/1087622772.db2.gz HGBXTRKSELWILX-QAPCUYQASA-N 0 3 323.440 3.312 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483674526 1087626602 /nfs/dbraw/zinc/62/66/02/1087626602.db2.gz ZVMFFBPABOGRBB-ROUUACIJSA-N 0 3 312.457 3.440 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccns1 ZINC001099098793 1087631915 /nfs/dbraw/zinc/63/19/15/1087631915.db2.gz WPNXYQXMILFUGU-AWEZNQCLSA-N 0 3 321.490 3.330 20 30 DGEDHN CC(C)C(=O)N1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001089121388 1087645520 /nfs/dbraw/zinc/64/55/20/1087645520.db2.gz CFFJENIGFMMCHF-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001099122405 1087657822 /nfs/dbraw/zinc/65/78/22/1087657822.db2.gz RPHZRAOEFAWIJK-ZWOKBUDYSA-N 0 3 316.489 3.197 20 30 DGEDHN CCCCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272477510 1087721031 /nfs/dbraw/zinc/72/10/31/1087721031.db2.gz UUSQTRALFGNGSF-SFHVURJKSA-N 0 3 305.466 3.327 20 30 DGEDHN CCCCCCCN1CCCC[C@@]12CC(=O)N(CCCOC)C2 ZINC001272479106 1087727078 /nfs/dbraw/zinc/72/70/78/1087727078.db2.gz VZSFHLCMLNPAQM-IBGZPJMESA-N 0 3 324.509 3.450 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC001122042694 1087787437 /nfs/dbraw/zinc/78/74/37/1087787437.db2.gz MIONTKQBFIIUAR-ULQDDVLXSA-N 0 3 310.482 3.138 20 30 DGEDHN Cc1ccc2nc(-n3ccc([C@@H](C)N)n3)c(C#N)c(Cl)c2c1 ZINC001158355632 1087787918 /nfs/dbraw/zinc/78/79/18/1087787918.db2.gz CZFBWJZQETXVMK-SNVBAGLBSA-N 0 3 311.776 3.274 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(F)c1F ZINC001158413650 1087823220 /nfs/dbraw/zinc/82/32/20/1087823220.db2.gz WMGQRRYTQORXKM-CYBMUJFWSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)C[C@H]1CCCCO1 ZINC001158419497 1087823571 /nfs/dbraw/zinc/82/35/71/1087823571.db2.gz SABIWOFJKSLWDL-QZTJIDSGSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cccc(Cl)c1 ZINC001158426521 1087829021 /nfs/dbraw/zinc/82/90/21/1087829021.db2.gz MIOOIFWJZXDESA-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(C)c1 ZINC001158425711 1087829633 /nfs/dbraw/zinc/82/96/33/1087829633.db2.gz CPFVHYQLVIOOAY-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C[C@@H](C(=O)NCCNCc1cccc(F)c1)c1ccccc1 ZINC001151990815 1087859509 /nfs/dbraw/zinc/85/95/09/1087859509.db2.gz PKSUTNGVWXGNOK-GOSISDBHSA-N 0 3 312.388 3.001 20 30 DGEDHN C=C[C@@H](C(=O)NCCNCc1csc(C)c1)c1ccccc1 ZINC001151998173 1087867059 /nfs/dbraw/zinc/86/70/59/1087867059.db2.gz QLWGOEOUPMIOEC-QGZVFWFLSA-N 0 3 314.454 3.232 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccsc1C ZINC001158555363 1087909374 /nfs/dbraw/zinc/90/93/74/1087909374.db2.gz SHDANZOEAHPFMM-MRXNPFEDSA-N 0 3 306.475 3.098 20 30 DGEDHN C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089316198 1087913902 /nfs/dbraw/zinc/91/39/02/1087913902.db2.gz BSIYMKWNOOVTOP-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089316198 1087913909 /nfs/dbraw/zinc/91/39/09/1087913909.db2.gz BSIYMKWNOOVTOP-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)cc1OC ZINC001158768246 1088021377 /nfs/dbraw/zinc/02/13/77/1088021377.db2.gz QLTZZLGSDMECCW-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc(C2CC2)s1 ZINC001158781900 1088027413 /nfs/dbraw/zinc/02/74/13/1088027413.db2.gz VRAFEAZPXYPLNG-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN CN(C)c1cccc(N2CCC(C#N)(c3ccccc3F)CC2)n1 ZINC001158888426 1088083334 /nfs/dbraw/zinc/08/33/34/1088083334.db2.gz ZMBBKEPDGCGJLZ-UHFFFAOYSA-N 0 3 324.403 3.348 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCNCc1cc(O)ccc1Cl ZINC001158894264 1088086346 /nfs/dbraw/zinc/08/63/46/1088086346.db2.gz FCXNQGDEHITSQK-UHFFFAOYSA-N 0 3 324.852 3.244 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1cccc(F)c1 ZINC001158893748 1088086770 /nfs/dbraw/zinc/08/67/70/1088086770.db2.gz BHDPDYJXEFZHDV-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN CCC[C@H](CC(C)C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001152877249 1088102689 /nfs/dbraw/zinc/10/26/89/1088102689.db2.gz ZUQHPKCURFGNMH-GOSISDBHSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC(C1CC1)C1CC1 ZINC001158935949 1088108291 /nfs/dbraw/zinc/10/82/91/1088108291.db2.gz LLVQVEWMKUMUSO-QGZVFWFLSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001159015277 1088140385 /nfs/dbraw/zinc/14/03/85/1088140385.db2.gz XDRSWXLSVUOVLT-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C\Cc1ccccc1 ZINC001153883640 1088395518 /nfs/dbraw/zinc/39/55/18/1088395518.db2.gz VBVYOOPWUATLLY-RXQFDZFGSA-N 0 3 312.457 3.025 20 30 DGEDHN Cc1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c(C#N)c1 ZINC001159589949 1088405721 /nfs/dbraw/zinc/40/57/21/1088405721.db2.gz CBNUIXLZPOECIC-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN Cc1ccc(CC#N)c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001159597614 1088410614 /nfs/dbraw/zinc/41/06/14/1088410614.db2.gz MDNMUMACMJXPOF-AWEZNQCLSA-N 0 3 317.396 3.329 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)CCCC)[C@H](OC)C1 ZINC001212211551 1088417561 /nfs/dbraw/zinc/41/75/61/1088417561.db2.gz UXFVBSDALZIJMK-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2ccc(C)nc21 ZINC001153969708 1088421444 /nfs/dbraw/zinc/42/14/44/1088421444.db2.gz BAKBLFCNPXVYHB-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(C(C)C)cc1 ZINC001154279005 1088546938 /nfs/dbraw/zinc/54/69/38/1088546938.db2.gz SWJKXMUXMSJDDN-QGZVFWFLSA-N 0 3 314.473 3.202 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(F)cc1C ZINC001272666734 1088593550 /nfs/dbraw/zinc/59/35/50/1088593550.db2.gz FRKXSDDEUBHPKJ-IBGZPJMESA-N 0 3 316.420 3.277 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c(Cl)c1F ZINC001154439309 1088609491 /nfs/dbraw/zinc/60/94/91/1088609491.db2.gz FEGBIFSZJYGMSZ-CYBMUJFWSA-N 0 3 324.827 3.251 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2nc(C(C)C)oc2C)CC1 ZINC001160125478 1088653029 /nfs/dbraw/zinc/65/30/29/1088653029.db2.gz HVZHZVLHEYVGRV-UHFFFAOYSA-N 0 3 317.433 3.044 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)CC(C)(C)C1 ZINC001089467391 1088656896 /nfs/dbraw/zinc/65/68/96/1088656896.db2.gz SQWVOUCHIPNPJR-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)CC(C)(C)C1 ZINC001089545390 1088731856 /nfs/dbraw/zinc/73/18/56/1088731856.db2.gz LMVGIYKMCVCTOS-INIZCTEOSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)CC(C)(C)C1 ZINC001089549016 1088735480 /nfs/dbraw/zinc/73/54/80/1088735480.db2.gz SKBJLKDSWQPLRD-GFCCVEGCSA-N 0 3 324.371 3.071 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)CC(C)(C)C1 ZINC001089566645 1088753945 /nfs/dbraw/zinc/75/39/45/1088753945.db2.gz PVFVMERLDNRAFO-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CF)cc2)CC(C)(C)C1 ZINC001089566973 1088755488 /nfs/dbraw/zinc/75/54/88/1088755488.db2.gz UHILWORDHODLHQ-KRWDZBQOSA-N 0 3 316.420 3.010 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CC2CCCCC2)C(C)C)CC1 ZINC001483773352 1088770676 /nfs/dbraw/zinc/77/06/76/1088770676.db2.gz 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C=CCN1CC=C(CCNC(=O)Cc2ccc(CC)cc2)CC1 ZINC001161349944 1089206744 /nfs/dbraw/zinc/20/67/44/1089206744.db2.gz WLAJVAIMPRDLAY-UHFFFAOYSA-N 0 3 312.457 3.116 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](CC)OC2CCCC2)CC1 ZINC001161369920 1089214182 /nfs/dbraw/zinc/21/41/82/1089214182.db2.gz SLFKNGTWKGCSLY-SFHVURJKSA-N 0 3 320.477 3.049 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3ccccc3c2)CC1 ZINC001484145848 1089223891 /nfs/dbraw/zinc/22/38/91/1089223891.db2.gz ISZDWBOKNJHSHG-UHFFFAOYSA-N 0 3 320.436 3.305 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001484143076 1089230500 /nfs/dbraw/zinc/23/05/00/1089230500.db2.gz CYRGYGNSRPBWCY-GOSISDBHSA-N 0 3 318.505 3.444 20 30 DGEDHN N#Cc1ccccc1CNCCCNC(=O)CC1=CCCCC1 ZINC001155748046 1089234048 /nfs/dbraw/zinc/23/40/48/1089234048.db2.gz BQPARSOEXJSZFY-UHFFFAOYSA-N 0 3 311.429 3.045 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2csc(C)c2C)C1 ZINC001484160651 1089249545 /nfs/dbraw/zinc/24/95/45/1089249545.db2.gz ILXYCOKMZMIACF-KRWDZBQOSA-N 0 3 306.475 3.383 20 30 DGEDHN CN(C)c1ccnc(NC(=N)c2ccc(C(F)(F)F)cc2)c1 ZINC001155850767 1089268490 /nfs/dbraw/zinc/26/84/90/1089268490.db2.gz VDRGQQYEIYXYPU-UHFFFAOYSA-N 0 3 308.307 3.203 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3cccnc3c2)CC1 ZINC001161530666 1089273216 /nfs/dbraw/zinc/27/32/16/1089273216.db2.gz MZVZKJVIKGLCCF-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001161623055 1089318358 /nfs/dbraw/zinc/31/83/58/1089318358.db2.gz ZAOMARQYACMQPK-UYAOXDASSA-N 0 3 316.489 3.220 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc(C)co1)c1ccccc1CC ZINC001484323742 1089334260 /nfs/dbraw/zinc/33/42/60/1089334260.db2.gz OYDDWCAXXMYQIF-GOSISDBHSA-N 0 3 324.424 3.234 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001161655589 1089334377 /nfs/dbraw/zinc/33/43/77/1089334377.db2.gz LOKXVXLPXBOFSM-SFHVURJKSA-N 0 3 304.478 3.220 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001484325593 1089337203 /nfs/dbraw/zinc/33/72/03/1089337203.db2.gz 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ZINC001484768536 1089676251 /nfs/dbraw/zinc/67/62/51/1089676251.db2.gz ALWPXCLMMBSOJT-MRXNPFEDSA-N 0 3 318.436 3.123 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n(C(C)C)c1C ZINC001156814864 1089704176 /nfs/dbraw/zinc/70/41/76/1089704176.db2.gz ZOPGQPWSQXEVFV-MRXNPFEDSA-N 0 3 317.477 3.149 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC(C)(C)C2CC2)cc1 ZINC001272690868 1089710594 /nfs/dbraw/zinc/71/05/94/1089710594.db2.gz GDRYTKBOJJUOOV-HNNXBMFYSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCCCCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001156832273 1089710705 /nfs/dbraw/zinc/71/07/05/1089710705.db2.gz VOPZTCSMZVHTDX-CQSZACIVSA-N 0 3 322.399 3.315 20 30 DGEDHN CN(Cc1ccc(NCCc2ccc(C#N)cc2)nc1)C1CC1 ZINC001156837097 1089715255 /nfs/dbraw/zinc/71/52/55/1089715255.db2.gz PFQUGBZLULICMP-UHFFFAOYSA-N 0 3 306.413 3.202 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H](C)N(CC)CC#CC)c1ccccc1 ZINC001157041069 1089796496 /nfs/dbraw/zinc/79/64/96/1089796496.db2.gz AVYAALAPYKLXPW-IEBWSBKVSA-N 0 3 312.457 3.196 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001484977545 1089811105 /nfs/dbraw/zinc/81/11/05/1089811105.db2.gz GZFXZKCGYDCHKK-OLZOCXBDSA-N 0 3 306.372 3.264 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001485004214 1089839129 /nfs/dbraw/zinc/83/91/29/1089839129.db2.gz LLSJFQWSZOGIOF-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C1(C)CC1 ZINC001485004970 1089843436 /nfs/dbraw/zinc/84/34/36/1089843436.db2.gz UGIFYBPFLQYMNQ-SFHVURJKSA-N 0 3 312.457 3.468 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1cc(C)sc1C ZINC001157191314 1089867115 /nfs/dbraw/zinc/86/71/15/1089867115.db2.gz ZTGDBDOSRXFTST-CQSZACIVSA-N 0 3 320.502 3.147 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)CCc1ccccc1 ZINC001157224220 1089879064 /nfs/dbraw/zinc/87/90/64/1089879064.db2.gz RDNLJMRBBMNTFU-QZTJIDSGSA-N 0 3 314.473 3.105 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)C/C=C/c1ccccc1 ZINC001485053677 1089894248 /nfs/dbraw/zinc/89/42/48/1089894248.db2.gz AQTXIBOMFYQRBR-SQSZOCELSA-N 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/nfs/dbraw/zinc/96/36/79/1089963679.db2.gz KTJHMOZDAGGRQF-ZCXUNETKSA-N 0 3 312.457 3.027 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C1(CCC=C)CC1 ZINC001162919340 1090027177 /nfs/dbraw/zinc/02/71/77/1090027177.db2.gz QELHKWIYSAPURM-UHFFFAOYSA-N 0 3 324.468 3.027 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc(CO)cc2)C1 ZINC001203192250 1090048412 /nfs/dbraw/zinc/04/84/12/1090048412.db2.gz AEVKWESBUZQQHO-LJQANCHMSA-N 0 3 322.408 3.094 20 30 DGEDHN N#Cc1ccc2cc(N[C@@H]3CNCc4ccsc43)ccc2n1 ZINC001163228815 1090126996 /nfs/dbraw/zinc/12/69/96/1090126996.db2.gz DEDQKJAADCPLGS-MRXNPFEDSA-N 0 3 306.394 3.424 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N1CC[C@H](C)C(F)(F)CC1 ZINC001157850294 1090131583 /nfs/dbraw/zinc/13/15/83/1090131583.db2.gz XQOXCKCYGIFECB-KBPBESRZSA-N 0 3 302.409 3.344 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](CCCC)CNCC#Cc1ccccc1 ZINC001485463966 1090165603 /nfs/dbraw/zinc/16/56/03/1090165603.db2.gz QJULFCUAAJZERG-ZHDLZBQGSA-N 0 3 312.457 3.269 20 30 DGEDHN N#Cc1ccc(-c2ccccc2)nc1N[C@H]1CN2CCC1CC2 ZINC001163380548 1090170202 /nfs/dbraw/zinc/17/02/02/1090170202.db2.gz AABSEIHSJRMQQU-SFHVURJKSA-N 0 3 304.397 3.126 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(F)c(C)cc1F ZINC001158107550 1090184333 /nfs/dbraw/zinc/18/43/33/1090184333.db2.gz VTNIBUTXGKHBGO-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001163479722 1090195291 /nfs/dbraw/zinc/19/52/91/1090195291.db2.gz QSQZPEFQGRUWSP-UHFFFAOYSA-N 0 3 319.836 3.247 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c[nH]c2ccccc21 ZINC001158199462 1090199222 /nfs/dbraw/zinc/19/92/22/1090199222.db2.gz AFVPXIZRELFWGX-OAHLLOKOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCOc1ccccc1C ZINC001163682347 1090231904 /nfs/dbraw/zinc/23/19/04/1090231904.db2.gz GYIMOFWFDNSWTK-UHFFFAOYSA-N 0 3 324.852 3.002 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001485691658 1090237227 /nfs/dbraw/zinc/23/72/27/1090237227.db2.gz SCKZGLREFSTHBI-AVGNSLFASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccsc1C ZINC001485721816 1090250499 /nfs/dbraw/zinc/25/04/99/1090250499.db2.gz WSKANBQZTDXJHE-LLVKDONJSA-N 0 3 300.855 3.297 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC[C@H](C)CC2)cc1 ZINC001272700702 1090251153 /nfs/dbraw/zinc/25/11/53/1090251153.db2.gz MBMXVUSWNRBCAH-GPMSIDNRSA-N 0 3 312.457 3.413 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](NC(=O)[C@H](C)C#N)c1ccccc1 ZINC001485778958 1090276384 /nfs/dbraw/zinc/27/63/84/1090276384.db2.gz RBPZMNAJFKQZHI-CZUORRHYSA-N 0 3 319.836 3.126 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc3[nH]ccc3c2)C1=O ZINC001272707308 1090309379 /nfs/dbraw/zinc/30/93/79/1090309379.db2.gz POHWGHCQNBFRIP-FQEVSTJZSA-N 0 3 323.440 3.311 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001299260311 1090378315 /nfs/dbraw/zinc/37/83/15/1090378315.db2.gz RSIYAYXBXPXZJB-QGZVFWFLSA-N 0 3 302.462 3.268 20 30 DGEDHN CC#CCCCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001164268529 1090390566 /nfs/dbraw/zinc/39/05/66/1090390566.db2.gz KJZHXIMGHDPJAR-CQSZACIVSA-N 0 3 322.399 3.315 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164323072 1090400712 /nfs/dbraw/zinc/40/07/12/1090400712.db2.gz AZVSVLLGXZVLET-HNNXBMFYSA-N 0 3 321.465 3.305 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001164346973 1090407643 /nfs/dbraw/zinc/40/76/43/1090407643.db2.gz ZJMFYXOJZWZWIE-CYBMUJFWSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cccc(C)c2F)CC1 ZINC001164608497 1090447891 /nfs/dbraw/zinc/44/78/91/1090447891.db2.gz LAAVLCOYXUMEGE-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN CCN1CCCC[C@@H]1c1ccc(N2C[C@H](F)C[C@H]2C#N)nc1 ZINC001165192933 1090477665 /nfs/dbraw/zinc/47/76/65/1090477665.db2.gz INOGKHYJWRSMQE-OWCLPIDISA-N 0 3 302.397 3.069 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107819904 1090509643 /nfs/dbraw/zinc/50/96/43/1090509643.db2.gz WOUDKBOOEQXJRC-WEMREZNISA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001165390598 1090513914 /nfs/dbraw/zinc/51/39/14/1090513914.db2.gz LQPCYRDUQRROBH-LBPRGKRZSA-N 0 3 320.811 3.050 20 30 DGEDHN N#CCc1c(F)cccc1NCC1CN(Cc2ccccc2)C1 ZINC001165468853 1090524021 /nfs/dbraw/zinc/52/40/21/1090524021.db2.gz HWXCXGNYVJAMBW-UHFFFAOYSA-N 0 3 309.388 3.436 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001165530348 1090528040 /nfs/dbraw/zinc/52/80/40/1090528040.db2.gz GQSRLHVUJBOTMM-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(CC)o2)CC1 ZINC001165790300 1090549028 /nfs/dbraw/zinc/54/90/28/1090549028.db2.gz YTGKHQFLIFEABI-UHFFFAOYSA-N 0 3 310.825 3.084 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN[C@H](C)c2c(F)cccc2F)C1 ZINC001166225966 1090590170 /nfs/dbraw/zinc/59/01/70/1090590170.db2.gz YNEGIHRWMJUDFG-CYBMUJFWSA-N 0 3 322.399 3.478 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)C(F)F)C12CCC2 ZINC001203383262 1090628541 /nfs/dbraw/zinc/62/85/41/1090628541.db2.gz DQWODPWVHJUKJQ-WDEREUQCSA-N 0 3 320.811 3.047 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CC(C)=C(C)C)[C@H](OC)C1 ZINC001213285400 1090631948 /nfs/dbraw/zinc/63/19/48/1090631948.db2.gz QIIXJJOHJVNDFL-QZTJIDSGSA-N 0 3 322.493 3.295 20 30 DGEDHN CC(C)(C)CCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001128044219 1090633353 /nfs/dbraw/zinc/63/33/53/1090633353.db2.gz ILBGCBKMOWOPOM-UHFFFAOYSA-N 0 3 321.490 3.432 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001166685246 1090642440 /nfs/dbraw/zinc/64/24/40/1090642440.db2.gz AXHZYTIZHSHJDL-DZGCQCFKSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001111540720 1090662710 /nfs/dbraw/zinc/66/27/10/1090662710.db2.gz SDPFRVPMLJSVCX-INIZCTEOSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001166875848 1090671318 /nfs/dbraw/zinc/67/13/18/1090671318.db2.gz MGQIHIWGFSVTPI-UKRRQHHQSA-N 0 3 312.885 3.441 20 30 DGEDHN CC(C)CC(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001272923523 1090691653 /nfs/dbraw/zinc/69/16/53/1090691653.db2.gz KSKDVWVBWDHADZ-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485868392 1090713355 /nfs/dbraw/zinc/71/33/55/1090713355.db2.gz KXIAIHOWTJIQJE-JKSUJKDBSA-N 0 3 318.436 3.050 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001272938508 1090716268 /nfs/dbraw/zinc/71/62/68/1090716268.db2.gz KLNHKUUSYVAXFP-ACEGTKJHSA-N 0 3 324.468 3.365 20 30 DGEDHN C[C@@H](CN(C)C(=O)C#CC(C)(C)C)NCc1ccccc1Cl ZINC001485873502 1090717254 /nfs/dbraw/zinc/71/72/54/1090717254.db2.gz OCTNIVVTTLSQDM-AWEZNQCLSA-N 0 3 320.864 3.326 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001485877188 1090718572 /nfs/dbraw/zinc/71/85/72/1090718572.db2.gz MCUQVCMHVUXCPA-QGZVFWFLSA-N 0 3 312.457 3.077 20 30 DGEDHN CCCC(=O)N1CC[C@@H](NCC#Cc2ccccc2Cl)[C@H]1C ZINC001486069615 1090741987 /nfs/dbraw/zinc/74/19/87/1090741987.db2.gz ILEMGKDBWKOVKH-RHSMWYFYSA-N 0 3 318.848 3.071 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001486117834 1090754384 /nfs/dbraw/zinc/75/43/84/1090754384.db2.gz MVURCULKACBRPI-AZUAARDMSA-N 0 3 324.468 3.364 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001486156745 1090767828 /nfs/dbraw/zinc/76/78/28/1090767828.db2.gz WPIYVVCPZNKNHG-SLYNCCJLSA-N 0 3 324.468 3.002 20 30 DGEDHN CSc1ccc(CNCc2ccc3c[nH]nc3c2)cc1C#N ZINC001203672270 1090777804 /nfs/dbraw/zinc/77/78/04/1090777804.db2.gz FGOWOFUMERGNBA-UHFFFAOYSA-N 0 3 308.410 3.446 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccnn1[C@@H](C)CC)C(C)C ZINC001486369426 1090811224 /nfs/dbraw/zinc/81/12/24/1090811224.db2.gz HJCKYMHTXIROKU-INIZCTEOSA-N 0 3 320.481 3.213 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(F)c1Cl)C(C)C ZINC001486375700 1090813154 /nfs/dbraw/zinc/81/31/54/1090813154.db2.gz DRXRKTACRFUUCY-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](F)CC1CCCCC1)C(C)C ZINC001486378759 1090815271 /nfs/dbraw/zinc/81/52/71/1090815271.db2.gz QPUSIGUXFQHZRJ-GOSISDBHSA-N 0 3 324.484 3.487 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001203905835 1090835054 /nfs/dbraw/zinc/83/50/54/1090835054.db2.gz DWCLQBWNAZNXKL-HXUWFJFHSA-N 0 3 317.392 3.473 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CCN(Cc2ccsc2)CC1 ZINC001486436673 1090836181 /nfs/dbraw/zinc/83/61/81/1090836181.db2.gz OASAWQLJZPRQGL-OAHLLOKOSA-N 0 3 318.486 3.268 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCC2(C)CC2)CC[C@@H]1C(F)(F)F ZINC001486452541 1090843205 /nfs/dbraw/zinc/84/32/05/1090843205.db2.gz KCZRDVBIFSXDTL-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cccs2)c(F)c1 ZINC001486522317 1090867882 /nfs/dbraw/zinc/86/78/82/1090867882.db2.gz AMICFWACOYFTKY-UHFFFAOYSA-N 0 3 304.390 3.093 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2CCC(F)CC2)c(F)c1 ZINC001486524554 1090869116 /nfs/dbraw/zinc/86/91/16/1090869116.db2.gz IGJISPVEECMAOO-UHFFFAOYSA-N 0 3 322.399 3.246 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001276440042 1090900664 /nfs/dbraw/zinc/90/06/64/1090900664.db2.gz OSXAYFYOHFPBDY-HNNXBMFYSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCOc1ccc(CN(C)CCc2noc(C(C)C)n2)cc1 ZINC001204297722 1090943493 /nfs/dbraw/zinc/94/34/93/1090943493.db2.gz OQXSEJAQUCUVRD-UHFFFAOYSA-N 0 3 315.417 3.432 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001276467622 1090976558 /nfs/dbraw/zinc/97/65/58/1090976558.db2.gz BVQGLBUAKWBTKI-XLIONFOSSA-N 0 3 324.468 3.196 20 30 DGEDHN Cc1c(F)cccc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001204512776 1090987406 /nfs/dbraw/zinc/98/74/06/1090987406.db2.gz MMQLAPNYUVIPMI-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccc(C#N)s3)c2)CC1 ZINC001204517881 1090988708 /nfs/dbraw/zinc/98/87/08/1090988708.db2.gz LCBQLXMQTXUZLA-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(C)c(C)o1)CC2 ZINC001273015743 1090995999 /nfs/dbraw/zinc/99/59/99/1090995999.db2.gz YWJOIORNXLIPPT-KRWDZBQOSA-N 0 3 316.445 3.191 20 30 DGEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cc(C)c(C)o1)CC2 ZINC001273015744 1090996139 /nfs/dbraw/zinc/99/61/39/1090996139.db2.gz YWJOIORNXLIPPT-QGZVFWFLSA-N 0 3 316.445 3.191 20 30 DGEDHN Cc1cc(C#N)cc(Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC001204581492 1091002575 /nfs/dbraw/zinc/00/25/75/1091002575.db2.gz XVSIIWCYOKJGPR-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccc(F)cc3C#N)cc2)CC1 ZINC001204751114 1091029869 /nfs/dbraw/zinc/02/98/69/1091029869.db2.gz KCLHSOLLVXZFSN-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213260762 1091032343 /nfs/dbraw/zinc/03/23/43/1091032343.db2.gz RJLJEJGBJZWHRR-VEUZHWNKSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2CC[C@H](C)c2ccc(C)o2)C1=O ZINC001273126712 1091064483 /nfs/dbraw/zinc/06/44/83/1091064483.db2.gz WPAYFHHJAHKQJZ-KXBFYZLASA-N 0 3 316.445 3.335 20 30 DGEDHN N#Cc1ccc(-c2noc([C@@H]3CCNC[C@H]3F)n2)c2ccccc12 ZINC001205220740 1091135273 /nfs/dbraw/zinc/13/52/73/1091135273.db2.gz ZMZJPDURHYVSRP-HZPDHXFCSA-N 0 3 322.343 3.176 20 30 DGEDHN N#Cc1ccc(-c2noc([C@H]3CCNC[C@@H]3F)n2)c2ccccc12 ZINC001205220739 1091135606 /nfs/dbraw/zinc/13/56/06/1091135606.db2.gz ZMZJPDURHYVSRP-HOTGVXAUSA-N 0 3 322.343 3.176 20 30 DGEDHN C#CCOc1ccc(CN2CCC(OC(C)C)CC2)cc1OC ZINC001138345457 1091148739 /nfs/dbraw/zinc/14/87/39/1091148739.db2.gz HXQZFOAFSHCXJA-UHFFFAOYSA-N 0 3 317.429 3.097 20 30 DGEDHN Cc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1C ZINC001202819386 1091150626 /nfs/dbraw/zinc/15/06/26/1091150626.db2.gz ZISPBAQWIDVVHG-AWEZNQCLSA-N 0 3 302.399 3.109 20 30 DGEDHN CC1(C)[C@H](NCc2cccc(C#N)n2)C[C@H]1OCc1ccccc1 ZINC001205489600 1091234110 /nfs/dbraw/zinc/23/41/10/1091234110.db2.gz VCTLUWCYSQVIEZ-RTBURBONSA-N 0 3 321.424 3.427 20 30 DGEDHN C=CCc1cccc(C[N@H+](CCO)Cc2cccs2)c1[O-] ZINC001138628824 1091260649 /nfs/dbraw/zinc/26/06/49/1091260649.db2.gz GMEMHMKMPVLPEX-UHFFFAOYSA-N 0 3 303.427 3.177 20 30 DGEDHN C=CCc1cccc(C[N@@H+](CCO)Cc2cccs2)c1[O-] ZINC001138628824 1091260655 /nfs/dbraw/zinc/26/06/55/1091260655.db2.gz GMEMHMKMPVLPEX-UHFFFAOYSA-N 0 3 303.427 3.177 20 30 DGEDHN C=CCc1cccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC001138624953 1091261957 /nfs/dbraw/zinc/26/19/57/1091261957.db2.gz VPWFBZNKTCGINR-UHFFFAOYSA-N 0 3 320.433 3.077 20 30 DGEDHN C=CCc1cccc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC001138624953 1091261964 /nfs/dbraw/zinc/26/19/64/1091261964.db2.gz VPWFBZNKTCGINR-UHFFFAOYSA-N 0 3 320.433 3.077 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)c1[O-] ZINC001138625576 1091262098 /nfs/dbraw/zinc/26/20/98/1091262098.db2.gz PBMRTVBLBMYZNQ-MRXNPFEDSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c1[O-] ZINC001138625576 1091262105 /nfs/dbraw/zinc/26/21/05/1091262105.db2.gz PBMRTVBLBMYZNQ-MRXNPFEDSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1[O-] ZINC001138631723 1091263862 /nfs/dbraw/zinc/26/38/62/1091263862.db2.gz ZUTBLDYOBSNTGQ-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c1[O-] ZINC001138631723 1091263869 /nfs/dbraw/zinc/26/38/69/1091263869.db2.gz ZUTBLDYOBSNTGQ-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c1[O-] ZINC001138630242 1091264571 /nfs/dbraw/zinc/26/45/71/1091264571.db2.gz SVSWMNCSFSXGNE-MRXNPFEDSA-N 0 3 305.393 3.214 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@@H](C)C[C@H](C(=O)OC)C1 ZINC001138664977 1091280823 /nfs/dbraw/zinc/28/08/23/1091280823.db2.gz CXDISOUREKZFFL-RDJZCZTQSA-N 0 3 317.429 3.273 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)C(C)C)CC1 ZINC001163757058 1091379810 /nfs/dbraw/zinc/37/98/10/1091379810.db2.gz MEVYOOVFVUHTNT-ZDUSSCGKSA-N 0 3 300.874 3.297 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108188144 1091368667 /nfs/dbraw/zinc/36/86/67/1091368667.db2.gz QRJJPIGLAQWHAC-RBUKOAKNSA-N 0 3 324.509 3.232 20 30 DGEDHN Cc1cnccc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001205862853 1091384570 /nfs/dbraw/zinc/38/45/70/1091384570.db2.gz PKTONHFTDYWJED-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@@H](C(=O)OCCCC)C1 ZINC001139031077 1091424907 /nfs/dbraw/zinc/42/49/07/1091424907.db2.gz RYGJLBPNIQZGSJ-QGZVFWFLSA-N 0 3 317.429 3.417 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)c(C#N)c1 ZINC001273213649 1091439315 /nfs/dbraw/zinc/43/93/15/1091439315.db2.gz IAQNEDXQIMJUQX-RTBURBONSA-N 0 3 323.440 3.008 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3ccn(C)c3c2)no1 ZINC001206094574 1091489123 /nfs/dbraw/zinc/48/91/23/1091489123.db2.gz PRCQMERCXDUSFW-UHFFFAOYSA-N 0 3 308.385 3.337 20 30 DGEDHN C=CCCCC(=O)N1CCC(CNCc2csc(C)n2)CC1 ZINC001206093972 1091489614 /nfs/dbraw/zinc/48/96/14/1091489614.db2.gz POHYQNKLFPGHBN-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3ncsc3c2)no1 ZINC001206094806 1091491150 /nfs/dbraw/zinc/49/11/50/1091491150.db2.gz WAIUDRAZYCZHGS-UHFFFAOYSA-N 0 3 312.398 3.455 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001206101164 1091492495 /nfs/dbraw/zinc/49/24/95/1091492495.db2.gz ZXVSOSORWQLOSC-UHFFFAOYSA-N 0 3 324.306 3.259 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc3ccncc32)no1 ZINC001206100227 1091492547 /nfs/dbraw/zinc/49/25/47/1091492547.db2.gz KHLISDLSWYNBHK-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc(C(C)C)s1 ZINC001273220863 1091505274 /nfs/dbraw/zinc/50/52/74/1091505274.db2.gz KGXMCJIAICWYMX-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084690687 1091538799 /nfs/dbraw/zinc/53/87/99/1091538799.db2.gz LKYCJQHLVANOGK-QXAKKESOSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001084859595 1091593837 /nfs/dbraw/zinc/59/38/37/1091593837.db2.gz BTKQHDXDPGTOOZ-IXDOHACOSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001084872246 1091600925 /nfs/dbraw/zinc/60/09/25/1091600925.db2.gz BXDRKRVPALSHMX-KZNAEPCWSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)C[C@@H]21 ZINC001084939783 1091621280 /nfs/dbraw/zinc/62/12/80/1091621280.db2.gz KNTBZGNOXVIGSC-IKGGRYGDSA-N 0 3 302.462 3.066 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)C(C)C)C12CCC2 ZINC001202967644 1091667700 /nfs/dbraw/zinc/66/77/00/1091667700.db2.gz DNCGXOZVVUPKEI-ZIAGYGMSSA-N 0 3 312.885 3.438 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3C)C[C@@H]21 ZINC001085099048 1091670390 /nfs/dbraw/zinc/67/03/90/1091670390.db2.gz ATGUNWFNTYOGEI-NSHGMRRFSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001139869584 1091695854 /nfs/dbraw/zinc/69/58/54/1091695854.db2.gz MAWYYTWSQBSVRX-UHFFFAOYSA-N 0 3 313.445 3.365 20 30 DGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1cc(F)cc(C#N)c1)C2 ZINC001139877851 1091698456 /nfs/dbraw/zinc/69/84/56/1091698456.db2.gz VRXCZORBOIJNHX-AEFFLSMTSA-N 0 3 302.393 3.336 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(C[C@@H](F)CO4)CC3)c2c1 ZINC001140115619 1091773017 /nfs/dbraw/zinc/77/30/17/1091773017.db2.gz IGKGDAKERWVTAE-OAHLLOKOSA-N 0 3 313.376 3.133 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)nc1C ZINC001085430888 1091773331 /nfs/dbraw/zinc/77/33/31/1091773331.db2.gz HAQZPMKZYKWRME-HZPDHXFCSA-N 0 3 321.852 3.082 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1 ZINC001206973596 1091811701 /nfs/dbraw/zinc/81/17/01/1091811701.db2.gz OUXKPRZHORWCOY-IIDMSEBBSA-N 0 3 318.436 3.017 20 30 DGEDHN Cn1cc(CN2CCC(C#Cc3ccccc3)CC2)cc1C#N ZINC001207110642 1091848515 /nfs/dbraw/zinc/84/85/15/1091848515.db2.gz PPHKNUWKOPAEQB-UHFFFAOYSA-N 0 3 303.409 3.160 20 30 DGEDHN Cc1ncccc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001207154240 1091865239 /nfs/dbraw/zinc/86/52/39/1091865239.db2.gz BYKQMYAXEOYHHE-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1C ZINC001085653647 1091870475 /nfs/dbraw/zinc/87/04/75/1091870475.db2.gz WWGPELQZTPYTTK-AWEZNQCLSA-N 0 3 321.852 3.156 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001297372783 1091871455 /nfs/dbraw/zinc/87/14/55/1091871455.db2.gz DZZKEERTMZJPSX-HNNXBMFYSA-N 0 3 322.880 3.485 20 30 DGEDHN Cc1nccc(CN2CCC(Cc3ccc(C#N)cc3)CC2)n1 ZINC001207166496 1091872066 /nfs/dbraw/zinc/87/20/66/1091872066.db2.gz RUNKPSMYNFAEBU-UHFFFAOYSA-N 0 3 306.413 3.111 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1C ZINC001207179871 1091876439 /nfs/dbraw/zinc/87/64/39/1091876439.db2.gz MYFADTMOGIPHLQ-OSKOBQJQSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCOc1ccc(C(=O)N(C)C[C@H]2CCN2CC(C)C)cc1 ZINC001085678120 1091880210 /nfs/dbraw/zinc/88/02/10/1091880210.db2.gz BKECAIZVTKCHGZ-QGZVFWFLSA-N 0 3 316.445 3.054 20 30 DGEDHN C=CCN(CCN1CC[C@](C)(CF)C1)C(=O)OC(C)(C)C ZINC001207198285 1091885389 /nfs/dbraw/zinc/88/53/89/1091885389.db2.gz AVPWNJVHUBXSMW-MRXNPFEDSA-N 0 3 300.418 3.091 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085699976 1091885347 /nfs/dbraw/zinc/88/53/47/1091885347.db2.gz BCZFPEOUXBFOSC-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(OC)c1C ZINC001085699566 1091885517 /nfs/dbraw/zinc/88/55/17/1091885517.db2.gz QPYBFAUTQXSLDK-MRXNPFEDSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCN(CCN1[C@@H]2CC[C@H]1C[C@H](C#N)C2)C(=O)OC(C)(C)C ZINC001207204016 1091887702 /nfs/dbraw/zinc/88/77/02/1091887702.db2.gz YWNHKNFXNGOYPI-PHZGNYQRSA-N 0 3 319.449 3.176 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cn1 ZINC001140545980 1091904682 /nfs/dbraw/zinc/90/46/82/1091904682.db2.gz RPSKCGFDFGHICO-UHFFFAOYSA-N 0 3 319.408 3.017 20 30 DGEDHN CC(C)NC(=O)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001140619408 1091935416 /nfs/dbraw/zinc/93/54/16/1091935416.db2.gz VDPPIXDJVAQXEI-XGWQRUHWSA-N 0 3 311.429 3.091 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCC(F)(F)CC1 ZINC001085840048 1091965360 /nfs/dbraw/zinc/96/53/60/1091965360.db2.gz YSOLQNYGJVVHON-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001085900653 1092001884 /nfs/dbraw/zinc/00/18/84/1092001884.db2.gz MAFLAGNOGCMBLP-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001085913102 1092004764 /nfs/dbraw/zinc/00/47/64/1092004764.db2.gz USDABIOIOACUPO-LJQANCHMSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncsc1C(C)C ZINC001085919423 1092012600 /nfs/dbraw/zinc/01/26/00/1092012600.db2.gz BBTXVUHSKQKVFA-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085938509 1092024525 /nfs/dbraw/zinc/02/45/25/1092024525.db2.gz IWCNILFSFLMVCG-CQSZACIVSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1c([O-])c(C)ncc1CO ZINC001140868089 1092041515 /nfs/dbraw/zinc/04/15/15/1092041515.db2.gz AFJAHVSKNKMPKX-UHFFFAOYSA-N 0 3 312.413 3.166 20 30 DGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1c([O-])c(C)ncc1CO ZINC001140868089 1092041523 /nfs/dbraw/zinc/04/15/23/1092041523.db2.gz AFJAHVSKNKMPKX-UHFFFAOYSA-N 0 3 312.413 3.166 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001207627931 1092049288 /nfs/dbraw/zinc/04/92/88/1092049288.db2.gz CSGJRTNVDCHABJ-LSDHHAIUSA-N 0 3 304.409 3.434 20 30 DGEDHN CNc1ccccc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001207630916 1092050686 /nfs/dbraw/zinc/05/06/86/1092050686.db2.gz IWGPKWFLLSVQKV-QGZVFWFLSA-N 0 3 321.428 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085957051 1092051734 /nfs/dbraw/zinc/05/17/34/1092051734.db2.gz RZGRBYAAVYKGTP-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC001085959767 1092056928 /nfs/dbraw/zinc/05/69/28/1092056928.db2.gz LANNYHHZALBWOY-QGZVFWFLSA-N 0 3 316.445 3.196 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001298489887 1092064992 /nfs/dbraw/zinc/06/49/92/1092064992.db2.gz KRDOZARPWGVGMK-UHFFFAOYSA-N 0 3 318.380 3.353 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c2occc21 ZINC001085980704 1092070094 /nfs/dbraw/zinc/07/00/94/1092070094.db2.gz VUMMWDJHJATDMP-CYBMUJFWSA-N 0 3 316.376 3.294 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207719126 1092080669 /nfs/dbraw/zinc/08/06/69/1092080669.db2.gz ZFJQAXQQIZIFED-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN CCC(=CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1)CC ZINC001207785433 1092099466 /nfs/dbraw/zinc/09/94/66/1092099466.db2.gz AWOKSGKRPWDJET-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C(C)(C)C(C)C ZINC001273396053 1092124887 /nfs/dbraw/zinc/12/48/87/1092124887.db2.gz GPQBDCZSJXNLDC-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@H]2C2CC2)C1 ZINC001086156982 1092145911 /nfs/dbraw/zinc/14/59/11/1092145911.db2.gz ZFJHTFWURDBWOI-ORQFMDKSSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246892 1092147916 /nfs/dbraw/zinc/14/79/16/1092147916.db2.gz XLMWMYDBQZRAAG-QFBILLFUSA-N 0 3 322.493 3.151 20 30 DGEDHN CCc1ccccc1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001141226679 1092185851 /nfs/dbraw/zinc/18/58/51/1092185851.db2.gz IANHUMNOXWJKCO-UHFFFAOYSA-N 0 3 305.425 3.443 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001086281155 1092190034 /nfs/dbraw/zinc/19/00/34/1092190034.db2.gz BARJLZWVOHIPQV-KFWWJZLASA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001086280894 1092190043 /nfs/dbraw/zinc/19/00/43/1092190043.db2.gz QYMWROAFKYXOOE-QLFBSQMISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001086420286 1092241952 /nfs/dbraw/zinc/24/19/52/1092241952.db2.gz MAXMWQGQTXQKON-HAQNSBGRSA-N 0 3 312.866 3.161 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCc3ncnc(OC)c3CC2)CC1 ZINC001208175269 1092242218 /nfs/dbraw/zinc/24/22/18/1092242218.db2.gz REWOSVSGUQHBMN-MRXNPFEDSA-N 0 3 313.445 3.188 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(CCC(C)(C)O)CC2)CC1 ZINC001208178133 1092243220 /nfs/dbraw/zinc/24/32/20/1092243220.db2.gz KTQLJQXUSBPLAW-GOSISDBHSA-N 0 3 306.494 3.068 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001086421586 1092244050 /nfs/dbraw/zinc/24/40/50/1092244050.db2.gz UPHGUSNKYRPCRW-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001086496887 1092286755 /nfs/dbraw/zinc/28/67/55/1092286755.db2.gz KFBNZXZSVCPHNF-HOMQSWHASA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001086439077 1092253488 /nfs/dbraw/zinc/25/34/88/1092253488.db2.gz PESFSKXIWVLXOI-AVGNSLFASA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001208197877 1092256978 /nfs/dbraw/zinc/25/69/78/1092256978.db2.gz NFWSYNBTOBBZMN-RTBURBONSA-N 0 3 319.420 3.194 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](NC[C@@H](F)CC)C1 ZINC001208202562 1092263076 /nfs/dbraw/zinc/26/30/76/1092263076.db2.gz HVRIRQFCLMINLA-QWHCGFSZSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001491880957 1092270640 /nfs/dbraw/zinc/27/06/40/1092270640.db2.gz DFGUVBWGIVRXAK-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001208253207 1092292541 /nfs/dbraw/zinc/29/25/41/1092292541.db2.gz WLFPKYJJRXPWIA-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CC(CC)CC)C1 ZINC001108305820 1092327749 /nfs/dbraw/zinc/32/77/49/1092327749.db2.gz AOBRUSIIHNFJRX-APWZRJJASA-N 0 3 324.509 3.375 20 30 DGEDHN OC[C@H]1CCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972929 1092372134 /nfs/dbraw/zinc/37/21/34/1092372134.db2.gz VXCZGOLWJIPJMY-KRWDZBQOSA-N 0 3 311.450 3.352 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)CN1C(=O)OC(C)(C)C ZINC001168839338 1092393282 /nfs/dbraw/zinc/39/32/82/1092393282.db2.gz JYTWALOHXHYGTE-DGCLKSJQSA-N 0 3 321.446 3.107 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001208562497 1092398896 /nfs/dbraw/zinc/39/88/96/1092398896.db2.gz DSNPKTOMVUEFQI-IIDMSEBBSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001208598352 1092419822 /nfs/dbraw/zinc/41/98/22/1092419822.db2.gz ZWMUOSPHWJOMCF-IIDMSEBBSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC001208597887 1092420229 /nfs/dbraw/zinc/42/02/29/1092420229.db2.gz TYPYSCMMAZYRGD-NZSAHSFTSA-N 0 3 314.473 3.124 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](CNCc1sccc1Cl)C1CC1 ZINC001276584548 1092481795 /nfs/dbraw/zinc/48/17/95/1092481795.db2.gz WVVYXZOUOZGNDF-CQSZACIVSA-N 0 3 324.877 3.045 20 30 DGEDHN N#Cc1ccc(N2CCN(CCCc3ccc(F)cc3)CC2)cc1 ZINC001208774132 1092499949 /nfs/dbraw/zinc/49/99/49/1092499949.db2.gz ZMJGZEQVGUUAEV-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1cccc(CCCN2CCc3ccc(C#N)cc3C2)c1 ZINC001208844137 1092540118 /nfs/dbraw/zinc/54/01/18/1092540118.db2.gz DZENYSQOFYQABF-UHFFFAOYSA-N 0 3 301.393 3.421 20 30 DGEDHN N#Cc1cccc(CCCN2CCN(c3ccccc3)CC2)c1 ZINC001208847986 1092542361 /nfs/dbraw/zinc/54/23/61/1092542361.db2.gz KHKBBCPSWMMRFX-UHFFFAOYSA-N 0 3 305.425 3.313 20 30 DGEDHN Cc1nc([C@H]2CCCN(CCCc3ccc(C#N)cc3)C2)no1 ZINC001208856441 1092546766 /nfs/dbraw/zinc/54/67/66/1092546766.db2.gz NVYQYVNYDHJQKF-KRWDZBQOSA-N 0 3 310.401 3.062 20 30 DGEDHN N#Cc1ccc(CCCN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC001208862693 1092548684 /nfs/dbraw/zinc/54/86/84/1092548684.db2.gz NXPZMDHAQGJCNW-UHFFFAOYSA-N 0 3 318.424 3.217 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@H](C)C(F)(F)F)C2 ZINC001208893765 1092571581 /nfs/dbraw/zinc/57/15/81/1092571581.db2.gz YGQULWQCERWDKJ-IHRRRGAJSA-N 0 3 307.356 3.011 20 30 DGEDHN C=CCOC[C@H]1CCC[C@@]12CN(CC(C)(C)C(=O)CC)CCO2 ZINC001208919207 1092585333 /nfs/dbraw/zinc/58/53/33/1092585333.db2.gz YAURSNMMOOIMLP-VQIMIIECSA-N 0 3 323.477 3.065 20 30 DGEDHN N#Cc1ccc2c(CN3CC[C@@]4(C3)CC(F)(F)CO4)c[nH]c2c1 ZINC001142922726 1092586800 /nfs/dbraw/zinc/58/68/00/1092586800.db2.gz SGRHVRUTGBDZGJ-INIZCTEOSA-N 0 3 317.339 3.040 20 30 DGEDHN C=CCN(CCN1CCCc2ccccc2C1)C(=O)OCC ZINC001209022919 1092627935 /nfs/dbraw/zinc/62/79/35/1092627935.db2.gz VOBAYMNKDPBGSA-UHFFFAOYSA-N 0 3 302.418 3.079 20 30 DGEDHN C[C@@]1(C#N)CCN(C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169307380 1092642183 /nfs/dbraw/zinc/64/21/83/1092642183.db2.gz MCJOGAXWQAWMPI-TVPLGVNVSA-N 0 3 312.413 3.390 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C(C)(C)C1 ZINC001276616361 1092658467 /nfs/dbraw/zinc/65/84/67/1092658467.db2.gz VZMWPTGSYPXADF-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001209162248 1092678087 /nfs/dbraw/zinc/67/80/87/1092678087.db2.gz UAZMIYBAFSZSOR-IBGZPJMESA-N 0 3 313.445 3.005 20 30 DGEDHN C=CCCCN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001209162210 1092678265 /nfs/dbraw/zinc/67/82/65/1092678265.db2.gz SKTQINVGACXGCW-UHFFFAOYSA-N 0 3 315.417 3.365 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](CC)c1ccccc1 ZINC001156319564 1092684684 /nfs/dbraw/zinc/68/46/84/1092684684.db2.gz WZZAXDIJNRJYSA-SJORKVTESA-N 0 3 300.446 3.030 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001209193650 1092689404 /nfs/dbraw/zinc/68/94/04/1092689404.db2.gz JPLOILJMJGMHKV-IAGOWNOFSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCCN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001209199846 1092691463 /nfs/dbraw/zinc/69/14/63/1092691463.db2.gz CJGJGGPEZRJGAC-GBESFXJTSA-N 0 3 316.445 3.186 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCC[C@@H](C)CCC)C1 ZINC001149781163 1092730048 /nfs/dbraw/zinc/73/00/48/1092730048.db2.gz MQMSOGRTMYUGFP-ROUUACIJSA-N 0 3 324.509 3.376 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC001209301970 1092731106 /nfs/dbraw/zinc/73/11/06/1092731106.db2.gz YPOJJUGQELICHI-FQEVSTJZSA-N 0 3 322.408 3.480 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001276633371 1092737374 /nfs/dbraw/zinc/73/73/74/1092737374.db2.gz GZLRPSSLGCMEQT-INIZCTEOSA-N 0 3 322.399 3.161 20 30 DGEDHN C=CCN(C)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001209339097 1092739087 /nfs/dbraw/zinc/73/90/87/1092739087.db2.gz ABAZTBHFYBFLQA-UHFFFAOYSA-N 0 3 314.426 3.276 20 30 DGEDHN C=CCCCCCCCCN1Cc2ccnn2CC[C@@H]1CO ZINC001209446125 1092776581 /nfs/dbraw/zinc/77/65/81/1092776581.db2.gz RWMICVITFPGNAQ-GOSISDBHSA-N 0 3 305.466 3.366 20 30 DGEDHN C=CCCCCCCCCN1CCC(O)=C(C(=O)OCC)C1 ZINC001209443380 1092776953 /nfs/dbraw/zinc/77/69/53/1092776953.db2.gz ROSRIRFGQNECPA-MRXNPFEDSA-N 0 3 309.450 3.357 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001209543599 1092816528 /nfs/dbraw/zinc/81/65/28/1092816528.db2.gz NKWVSHRDCNUEQP-LBPRGKRZSA-N 0 3 317.260 3.242 20 30 DGEDHN CCCC1(C(=O)N[C@@H](CNCC#Cc2ccccc2)C2CC2)CC1 ZINC001276656708 1092846015 /nfs/dbraw/zinc/84/60/15/1092846015.db2.gz RQRIHSWQKURWJG-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CC(C)=C(C)C)CC1 ZINC001151248981 1092879303 /nfs/dbraw/zinc/87/93/03/1092879303.db2.gz VLLXNLMCBGOPMG-UHFFFAOYSA-N 0 3 322.493 3.296 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCc2sccc2C)C1 ZINC001210643376 1093238954 /nfs/dbraw/zinc/23/89/54/1093238954.db2.gz ZSLINFTXCGRZNW-HZPDHXFCSA-N 0 3 320.502 3.392 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001211393370 1093478633 /nfs/dbraw/zinc/47/86/33/1093478633.db2.gz OIDOJPXRIGXVTE-SJLPKXTDSA-N 0 3 306.494 3.155 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213322792 1093565662 /nfs/dbraw/zinc/56/56/62/1093565662.db2.gz RHXAEJAEADNOOA-XHVFGDHJSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@H](C=C)CC)[C@H](OC)C1 ZINC001213322272 1093566119 /nfs/dbraw/zinc/56/61/19/1093566119.db2.gz FKQASWVXYKEKEP-KZNAEPCWSA-N 0 3 322.493 3.151 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H](OC)C1 ZINC001213403696 1093581165 /nfs/dbraw/zinc/58/11/65/1093581165.db2.gz LXDVZIDHGCMPBS-BRSBDYLESA-N 0 3 324.509 3.208 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)C(C)C)[C@H](OC)C1 ZINC001213518193 1093601714 /nfs/dbraw/zinc/60/17/14/1093601714.db2.gz ZVHFJPOXLTYDEF-BRWVUGGUSA-N 0 3 312.498 3.064 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)CCCCCC)[C@H](OC)C1 ZINC001213602626 1093622286 /nfs/dbraw/zinc/62/22/86/1093622286.db2.gz RCWPMLDKDQSICT-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CCC2(C)CC2)[C@H](OC)C1 ZINC001213669281 1093638871 /nfs/dbraw/zinc/63/88/71/1093638871.db2.gz CVQGCWGITDTHHO-IAGOWNOFSA-N 0 3 324.509 3.353 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CCCCC)C(C)C)[C@H](OC)C1 ZINC001213689661 1093641046 /nfs/dbraw/zinc/64/10/46/1093641046.db2.gz RAJXZLXRIWJAOJ-KZNAEPCWSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@H](OC)C1 ZINC001213949228 1093685233 /nfs/dbraw/zinc/68/52/33/1093685233.db2.gz SKXYKQPNVOEWON-LMMKCTJWSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001214304045 1093752817 /nfs/dbraw/zinc/75/28/17/1093752817.db2.gz HFMUHSZYTXUEAC-RHSMWYFYSA-N 0 3 304.409 3.037 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001214307780 1093753634 /nfs/dbraw/zinc/75/36/34/1093753634.db2.gz MVUHNGJTTRFEKL-IIYDPXPESA-N 0 3 322.399 3.429 20 30 DGEDHN C#Cc1cc(Nc2cccc(CN3CCCCC3)c2F)ccn1 ZINC001215675630 1094030090 /nfs/dbraw/zinc/03/00/90/1094030090.db2.gz DPILPYOXOHVNRX-UHFFFAOYSA-N 0 3 309.388 3.353 20 30 DGEDHN N#Cc1ncc(Nc2ccc(CN3CCCCC3)c(F)c2)cn1 ZINC001215711087 1094037434 /nfs/dbraw/zinc/03/74/34/1094037434.db2.gz AKTXLUJHBFLGBU-UHFFFAOYSA-N 0 3 311.364 3.217 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(=C)Cl)C1 ZINC001120383081 1094420016 /nfs/dbraw/zinc/42/00/16/1094420016.db2.gz TVAMGSORENVMMW-DLBZAZTESA-N 0 3 322.880 3.245 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001120414498 1094424509 /nfs/dbraw/zinc/42/45/09/1094424509.db2.gz WPCOQPCOGPETCU-CABCVRRESA-N 0 3 316.848 3.192 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001086731140 1094429338 /nfs/dbraw/zinc/42/93/38/1094429338.db2.gz YDDRYZGHZYBSMP-RRFJBIMHSA-N 0 3 310.869 3.194 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135236141 1094454983 /nfs/dbraw/zinc/45/49/83/1094454983.db2.gz QMXVPFRMAVUCSL-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001135357945 1094502031 /nfs/dbraw/zinc/50/20/31/1094502031.db2.gz KCKJKOVGCXUJBP-ZIAGYGMSSA-N 0 3 321.465 3.275 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OCc1ccc(Sc2ccccc2)cc1 ZINC001217831908 1094502558 /nfs/dbraw/zinc/50/25/58/1094502558.db2.gz LOHRWBPTPBRBGO-QAPCUYQASA-N 0 3 310.422 3.466 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OC(Cl)(Cl)c1ccc(Cl)cc1 ZINC001217834230 1094502643 /nfs/dbraw/zinc/50/26/43/1094502643.db2.gz VVOBKXHMHOTKFF-KWQFWETISA-N 0 3 305.592 3.056 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OC1c2ccccc2CCc2ccccc21 ZINC001217832554 1094503025 /nfs/dbraw/zinc/50/30/25/1094503025.db2.gz OXAOEHHCUWKGOS-VQIMIIECSA-N 0 3 304.393 3.003 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C(/C)C1CC1)C2 ZINC001120724738 1094504207 /nfs/dbraw/zinc/50/42/07/1094504207.db2.gz KDMRPZOUYSCDNJ-WZUFQYTHSA-N 0 3 308.853 3.112 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2cc(C)no2)CC1 ZINC001135381833 1094510648 /nfs/dbraw/zinc/51/06/48/1094510648.db2.gz BDVZLALIRCXFNJ-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC001135560170 1094576947 /nfs/dbraw/zinc/57/69/47/1094576947.db2.gz CIGSSVLQDAVOJZ-OLZOCXBDSA-N 0 3 309.479 3.118 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1conc1CC ZINC001135560927 1094577596 /nfs/dbraw/zinc/57/75/96/1094577596.db2.gz NHCDEHQBRDJXNJ-UONOGXRCSA-N 0 3 321.465 3.212 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C[C@@H](C)CC(C)C ZINC001170828584 1094595819 /nfs/dbraw/zinc/59/58/19/1094595819.db2.gz DNEMCARSVWURQT-LBPRGKRZSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C(C)[C@@H]1CC=C(C)[C@H](Oc2ccnc3c4c(nn32)CCNC4)C1 ZINC001218213401 1094663000 /nfs/dbraw/zinc/66/30/00/1094663000.db2.gz FPUXVTFBKXNBQS-RHSMWYFYSA-N 0 3 324.428 3.055 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001103614769 1094686143 /nfs/dbraw/zinc/68/61/43/1094686143.db2.gz TUKNXIFLMALEDV-BMFZPTHFSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC23CCCC3)C1 ZINC001103614770 1094686565 /nfs/dbraw/zinc/68/65/65/1094686565.db2.gz TUKNXIFLMALEDV-FVQBIDKESA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001336731623 1094713324 /nfs/dbraw/zinc/71/33/24/1094713324.db2.gz ICKCXCPWVSZQEJ-PRHODGIISA-N 0 3 305.180 3.126 20 30 DGEDHN CN1CCCC[C@@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001336745100 1094720521 /nfs/dbraw/zinc/72/05/21/1094720521.db2.gz DSGJNLJOBOAOFG-OAHLLOKOSA-N 0 3 323.400 3.037 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC001103821703 1094762057 /nfs/dbraw/zinc/76/20/57/1094762057.db2.gz DVHLFKMYPWPOQK-IUODEOHRSA-N 0 3 324.827 3.266 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C ZINC001103838234 1094768259 /nfs/dbraw/zinc/76/82/59/1094768259.db2.gz XFBJBRVBSBSBEF-DGCLKSJQSA-N 0 3 312.866 3.188 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC001121848193 1094793669 /nfs/dbraw/zinc/79/36/69/1094793669.db2.gz IDEYOTHUFOBUHY-HZPDHXFCSA-N 0 3 320.481 3.194 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cn2ccsc2n1 ZINC001121900753 1094821094 /nfs/dbraw/zinc/82/10/94/1094821094.db2.gz IULMEHBXGBIYQF-CQSZACIVSA-N 0 3 322.478 3.090 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1F ZINC001121968746 1094850392 /nfs/dbraw/zinc/85/03/92/1094850392.db2.gz GSVSWWLAGPKFRR-LLVKDONJSA-N 0 3 302.296 3.049 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)CC(C)C)C2 ZINC001121975165 1094855266 /nfs/dbraw/zinc/85/52/66/1094855266.db2.gz MRWCIMPUWHGQTB-VPCQXRJPSA-N 0 3 312.885 3.438 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCC1(C)CC1)C2 ZINC001122010146 1094867152 /nfs/dbraw/zinc/86/71/52/1094867152.db2.gz HYFUXRUATCWMDU-UHFFFAOYSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2nsnc21 ZINC001218808096 1094871086 /nfs/dbraw/zinc/87/10/86/1094871086.db2.gz UMKPRFNAFDOQKW-NSHDSACASA-N 0 3 304.419 3.094 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1noc2c1CCCC2 ZINC001122117350 1094903829 /nfs/dbraw/zinc/90/38/29/1094903829.db2.gz JNVDRLXJXCBLQL-OAHLLOKOSA-N 0 3 321.465 3.248 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001122377087 1094962454 /nfs/dbraw/zinc/96/24/54/1094962454.db2.gz JBRHZPUYFJFUKD-RBOXIYTFSA-N 0 3 308.372 3.011 20 30 DGEDHN Cc1cc(C)cc(C2CCN(C(=O)[C@H](N)CCCC#N)CC2)c1 ZINC001122417267 1094971267 /nfs/dbraw/zinc/97/12/67/1094971267.db2.gz BQCHYJLHIDWQRY-GOSISDBHSA-N 0 3 313.445 3.031 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NC(C)(C)C(=O)c1ccccc1 ZINC001219693189 1095007577 /nfs/dbraw/zinc/00/75/77/1095007577.db2.gz QTMBIXWLROFXNU-INIZCTEOSA-N 0 3 316.445 3.228 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001111941047 1095016646 /nfs/dbraw/zinc/01/66/46/1095016646.db2.gz BQKNBICVBXEJSQ-YDHLFZDLSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](C)CC(C)C)C[C@H]1C(F)(F)F ZINC001112191940 1095040122 /nfs/dbraw/zinc/04/01/22/1095040122.db2.gz AVEBUUKZAULRNV-MGPQQGTHSA-N 0 3 320.399 3.224 20 30 DGEDHN N#CC(C(=O)c1cnn(C2CCCCC2)c1)c1cccc(F)n1 ZINC001122714314 1095043358 /nfs/dbraw/zinc/04/33/58/1095043358.db2.gz JETVKMYZJKUKOP-AWEZNQCLSA-N 0 3 312.348 3.412 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C)CCCCC2)[C@@H](O)C1 ZINC001220273631 1095073713 /nfs/dbraw/zinc/07/37/13/1095073713.db2.gz PQZGPJPRSHVXFX-SJORKVTESA-N 0 3 324.509 3.089 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCCC(C)C)[C@@H](O)C1 ZINC001220579767 1095118172 /nfs/dbraw/zinc/11/81/72/1095118172.db2.gz JDTJMZIIPDWBFD-MSOLQXFVSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(CC)(CC)CC)[C@@H](O)C1 ZINC001220621010 1095125462 /nfs/dbraw/zinc/12/54/62/1095125462.db2.gz SEUVCCNGZWYKBE-SJORKVTESA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCN(CC)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001220679316 1095138669 /nfs/dbraw/zinc/13/86/69/1095138669.db2.gz JPTGZWBZAMGVGV-KRWDZBQOSA-N 0 3 303.450 3.287 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCCc1cc(F)cc(F)c1 ZINC001220731703 1095146368 /nfs/dbraw/zinc/14/63/68/1095146368.db2.gz RIEBMHUDVUSZDU-INIZCTEOSA-N 0 3 310.388 3.087 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccc(F)cc1F ZINC001123234667 1095197285 /nfs/dbraw/zinc/19/72/85/1095197285.db2.gz ZVGMHHBNQTUBSU-LLVKDONJSA-N 0 3 323.730 3.161 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001123336252 1095244741 /nfs/dbraw/zinc/24/47/41/1095244741.db2.gz FTUKWBLLJGRGRN-CYBMUJFWSA-N 0 3 321.302 3.341 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)n2cccc2)CCCCC1 ZINC001115483985 1095245755 /nfs/dbraw/zinc/24/57/55/1095245755.db2.gz CQLFIDOEKPYMMV-HNNXBMFYSA-N 0 3 323.868 3.210 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1Br ZINC001123337445 1095246973 /nfs/dbraw/zinc/24/69/73/1095246973.db2.gz QTLHYXVOUYIXEL-SECBINFHSA-N 0 3 324.203 3.217 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCC(C)C)C[C@@H]2C1 ZINC001276821674 1095252026 /nfs/dbraw/zinc/25/20/26/1095252026.db2.gz UKZSHPJRLOAWMU-XHSDSOJGSA-N 0 3 312.885 3.392 20 30 DGEDHN N#Cc1cccc(Cl)c1CN1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001143734298 1095354395 /nfs/dbraw/zinc/35/43/95/1095354395.db2.gz IAGAWFPFOGBQRZ-DLBZAZTESA-N 0 3 321.827 3.220 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC/C=C\c3ccccc3)[C@@H]2C1 ZINC001221813650 1095364554 /nfs/dbraw/zinc/36/45/54/1095364554.db2.gz SQBBZWZXLKFRQE-RHHFQONYSA-N 0 3 322.452 3.036 20 30 DGEDHN C=CC[C@@H](C)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001144021152 1095478028 /nfs/dbraw/zinc/47/80/28/1095478028.db2.gz KRCNENIHRJRANS-QGZVFWFLSA-N 0 3 314.473 3.270 20 30 DGEDHN N#Cc1cncc(CN(Cc2ccccc2)C2CCOCC2)c1 ZINC001144079644 1095502159 /nfs/dbraw/zinc/50/21/59/1095502159.db2.gz ZSBLGGQUNXFMQQ-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN COc1cccc(C[C@H]2CCCN(Cc3cncc(C#N)c3)C2)c1 ZINC001144084794 1095504997 /nfs/dbraw/zinc/50/49/97/1095504997.db2.gz MUUCKKHYDDICCH-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN COc1ccccc1C1(NC[C@@H](O)c2ccc(C#N)cc2)CCC1 ZINC001116470493 1095567355 /nfs/dbraw/zinc/56/73/55/1095567355.db2.gz OHODJZIYZMXXAC-GOSISDBHSA-N 0 3 322.408 3.269 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC001116575735 1095604819 /nfs/dbraw/zinc/60/48/19/1095604819.db2.gz HPSAFFASAPHUKU-KRWDZBQOSA-N 0 3 311.385 3.046 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001222432815 1095610311 /nfs/dbraw/zinc/61/03/11/1095610311.db2.gz ZTIVPLFVLPKESD-CVEARBPZSA-N 0 3 304.459 3.137 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)sc2C)C1 ZINC001091127906 1095681087 /nfs/dbraw/zinc/68/10/87/1095681087.db2.gz UPHGUSNKYRPCRW-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)n1nc(-c2ccncc2)cc1CN ZINC001171192240 1095688848 /nfs/dbraw/zinc/68/88/48/1095688848.db2.gz LWACLMMLAMCLOA-CQSZACIVSA-N 0 3 317.396 3.079 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc1 ZINC001144581494 1095716817 /nfs/dbraw/zinc/71/68/17/1095716817.db2.gz STSFRABAFIMESY-OALUTQOASA-N 0 3 300.421 3.066 20 30 DGEDHN C#Cc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC001144581552 1095718886 /nfs/dbraw/zinc/71/88/86/1095718886.db2.gz WLWUEXORHVRTIB-PBHICJAKSA-N 0 3 314.429 3.155 20 30 DGEDHN C#Cc1ccc(CN2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC001144573885 1095723472 /nfs/dbraw/zinc/72/34/72/1095723472.db2.gz SBRDQINKJSESON-GOSISDBHSA-N 0 3 304.437 3.374 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](CO)c1cc(F)ccc1F ZINC001171202154 1095737732 /nfs/dbraw/zinc/73/77/32/1095737732.db2.gz WRVHJPVWVGWNRU-KZULUSFZSA-N 0 3 316.351 3.091 20 30 DGEDHN N#Cc1cc(Cl)c(Cl)nc1N[C@H]1CCN(C2CCC2)C1 ZINC001161177471 1095743500 /nfs/dbraw/zinc/74/35/00/1095743500.db2.gz QDVGJOTZBIJZIK-JTQLQIEISA-N 0 3 311.216 3.299 20 30 DGEDHN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2Cc1[nH]ccc1C#N ZINC001276837754 1095752543 /nfs/dbraw/zinc/75/25/43/1095752543.db2.gz GHEACMJNQLGYSV-NXHRZFHOSA-N 0 3 314.477 3.361 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C)C[C@H]1c1ccccc1 ZINC001171204323 1095757922 /nfs/dbraw/zinc/75/79/22/1095757922.db2.gz VTOQKTIQHNMRAY-UTKZUKDTSA-N 0 3 319.452 3.478 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2scnc21 ZINC001276851461 1095794864 /nfs/dbraw/zinc/79/48/64/1095794864.db2.gz CBGNTSWYTPBSCS-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC001340074972 1095849294 /nfs/dbraw/zinc/84/92/94/1095849294.db2.gz JVXUZPRNUGFPCE-MRXNPFEDSA-N 0 3 301.434 3.034 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2sccc2CC)C1 ZINC001091377573 1095924322 /nfs/dbraw/zinc/92/43/22/1095924322.db2.gz NAEUPLSQQFHIHU-UHFFFAOYSA-N 0 3 312.866 3.161 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC001340382596 1095943359 /nfs/dbraw/zinc/94/33/59/1095943359.db2.gz NDARYCGFPCNOTR-NSHDSACASA-N 0 3 316.323 3.092 20 30 DGEDHN C=CCCCCCN(C)c1nnc([C@H]2CCCN(C)C2)n1CC ZINC001340441736 1095954639 /nfs/dbraw/zinc/95/46/39/1095954639.db2.gz FJEHYXWMEDXMHO-INIZCTEOSA-N 0 3 319.497 3.290 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001340506756 1095966651 /nfs/dbraw/zinc/96/66/51/1095966651.db2.gz AZPUHQOBXLXIPL-INIZCTEOSA-N 0 3 300.402 3.218 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001276891430 1095971206 /nfs/dbraw/zinc/97/12/06/1095971206.db2.gz JZDIPYICAJQMNI-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001223515796 1095990721 /nfs/dbraw/zinc/99/07/21/1095990721.db2.gz CIOIAOYETBCOAF-BQYQJAHWSA-N 0 3 324.468 3.027 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223572710 1096004377 /nfs/dbraw/zinc/00/43/77/1096004377.db2.gz PIQFAVHEHZDPNO-KSZLIROESA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001276902528 1096009429 /nfs/dbraw/zinc/00/94/29/1096009429.db2.gz ZYHFSLNLPMRMSY-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1CC(F)(F)F ZINC001340734326 1096020055 /nfs/dbraw/zinc/02/00/55/1096020055.db2.gz HKFZVDXZVJEGER-CQSZACIVSA-N 0 3 314.351 3.091 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC001223817017 1096072385 /nfs/dbraw/zinc/07/23/85/1096072385.db2.gz OUUASKSODLUGOA-HXUWFJFHSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](F)CCCCCC)C[C@@H]21 ZINC001223921774 1096096133 /nfs/dbraw/zinc/09/61/33/1096096133.db2.gz AJDRVOZKZPFSJQ-IKGGRYGDSA-N 0 3 310.457 3.404 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)CCC(C)(C)C)C[C@@H]21 ZINC001223923258 1096097649 /nfs/dbraw/zinc/09/76/49/1096097649.db2.gz XCSDHFXIHSNFRD-KURKYZTESA-N 0 3 318.505 3.395 20 30 DGEDHN C#CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC001118884593 1096098960 /nfs/dbraw/zinc/09/89/60/1096098960.db2.gz KMTWGVAMCGAEHO-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC001276941253 1096122231 /nfs/dbraw/zinc/12/22/31/1096122231.db2.gz ODSLBGCDEXREMJ-FXAWDEMLSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CNCC2 ZINC001341336674 1096156842 /nfs/dbraw/zinc/15/68/42/1096156842.db2.gz HTMNPQJXPNPTGX-GXTWGEPZSA-N 0 3 304.459 3.259 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1oc2ccc(F)cc2c1C ZINC001341392781 1096168597 /nfs/dbraw/zinc/16/85/97/1096168597.db2.gz CHCUYIDYEIWSOR-AWEZNQCLSA-N 0 3 304.365 3.180 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cn(CC)nc2-c2ccccc2)C1 ZINC001119512328 1096216964 /nfs/dbraw/zinc/21/69/64/1096216964.db2.gz CDFNRDFIUTXOAQ-SFHVURJKSA-N 0 3 311.429 3.347 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001325052134 1096236065 /nfs/dbraw/zinc/23/60/65/1096236065.db2.gz UMFWOFCDDDBFAH-ZDUSSCGKSA-N 0 3 302.409 3.072 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001224740156 1096276447 /nfs/dbraw/zinc/27/64/47/1096276447.db2.gz YRIZTONPIKJOPG-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224860130 1096301990 /nfs/dbraw/zinc/30/19/90/1096301990.db2.gz FCTHQRKPZQZPOV-BHIYHBOVSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148095313 1096306699 /nfs/dbraw/zinc/30/66/99/1096306699.db2.gz HCRCQCHAMJAKBE-CABCVRRESA-N 0 3 318.486 3.241 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225147517 1096353563 /nfs/dbraw/zinc/35/35/63/1096353563.db2.gz ULXPAVSPBVTSTL-IUPIIVDYSA-N 0 3 324.468 3.411 20 30 DGEDHN COc1cc(C#N)ccc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001225193849 1096360622 /nfs/dbraw/zinc/36/06/22/1096360622.db2.gz RYBPIHRHRVOEAS-QGZVFWFLSA-N 0 3 308.381 3.220 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC3(C=C)CCCCC3)C2)C1 ZINC001148436357 1096363114 /nfs/dbraw/zinc/36/31/14/1096363114.db2.gz VGYIRMKJPTYRHT-UHFFFAOYSA-N 0 3 302.462 3.233 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](CCCCC)C(C)C)C2)C1 ZINC001148568537 1096399547 /nfs/dbraw/zinc/39/95/47/1096399547.db2.gz SYFOQWKVCSKZIB-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCCC3CCCCC3)C2)C1 ZINC001148721034 1096428586 /nfs/dbraw/zinc/42/85/86/1096428586.db2.gz VRADOTVEHDEEDE-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN O=C(CCC1CC1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225456935 1096437497 /nfs/dbraw/zinc/43/74/97/1096437497.db2.gz JLSFUTFOGDCCSO-WOJBJXKFSA-N 0 3 324.468 3.245 20 30 DGEDHN CCCCCCCCCCC(=O)NCCNCc1ccnn1C ZINC001148763832 1096443608 /nfs/dbraw/zinc/44/36/08/1096443608.db2.gz GFPIRQXMURQMHM-UHFFFAOYSA-N 0 3 322.497 3.157 20 30 DGEDHN Cc1cc(C#N)c(O[C@@H]2CCN(Cc3ccccc3)C2)nc1C ZINC001225529091 1096459078 /nfs/dbraw/zinc/45/90/78/1096459078.db2.gz KRWDHWCTMIYFLH-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001277053682 1096464946 /nfs/dbraw/zinc/46/49/46/1096464946.db2.gz QSLDZCWGIFEFJF-SHTZXODSSA-N 0 3 306.837 3.154 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCCC2CCCC2)CC1 ZINC001225603884 1096480473 /nfs/dbraw/zinc/48/04/73/1096480473.db2.gz OOCRTJPTZUEQBV-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001273446053 1096481724 /nfs/dbraw/zinc/48/17/24/1096481724.db2.gz PLUPAPQWHGEWBG-QZTJIDSGSA-N 0 3 304.478 3.363 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001225638850 1096490709 /nfs/dbraw/zinc/49/07/09/1096490709.db2.gz KIQUTKAITIYNTR-WMZOPIPTSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3sccc3C)C2)CC1 ZINC001086894364 1096493686 /nfs/dbraw/zinc/49/36/86/1096493686.db2.gz KRFLNGLFNQOMAN-HNNXBMFYSA-N 0 3 316.470 3.006 20 30 DGEDHN COc1ccc(C#N)cc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001225684822 1096503741 /nfs/dbraw/zinc/50/37/41/1096503741.db2.gz UKRVXIITWITSJI-KRWDZBQOSA-N 0 3 308.381 3.220 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C(C)=C3CCC3)C2)CC1 ZINC001086922048 1096510493 /nfs/dbraw/zinc/51/04/93/1096510493.db2.gz IUNXHSQLQGHWPI-INIZCTEOSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C(C)=C3CCC3)C2)CC1 ZINC001086922049 1096510738 /nfs/dbraw/zinc/51/07/38/1096510738.db2.gz IUNXHSQLQGHWPI-MRXNPFEDSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001086946577 1096518393 /nfs/dbraw/zinc/51/83/93/1096518393.db2.gz CRHDDNDMPKKDMS-IAGOWNOFSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1 ZINC001086932304 1096519793 /nfs/dbraw/zinc/51/97/93/1096519793.db2.gz GXSAKHRISFXIMH-BRWVUGGUSA-N 0 3 316.489 3.005 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001225747389 1096519896 /nfs/dbraw/zinc/51/98/96/1096519896.db2.gz YQDJVBQNNWKILJ-WAYWQWQTSA-N 0 3 324.468 3.250 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3CCC=CCC3)C2)CC1 ZINC001086957812 1096523839 /nfs/dbraw/zinc/52/38/39/1096523839.db2.gz WNUFWUWQHVSPSY-QGZVFWFLSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)C[C@]2(C)C1 ZINC001092310058 1096601168 /nfs/dbraw/zinc/60/11/68/1096601168.db2.gz INURSTHECMKODD-XLIONFOSSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001092326575 1096604014 /nfs/dbraw/zinc/60/40/14/1096604014.db2.gz NKHSMRAFRJRJPR-HLIPFELVSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001093379679 1096687081 /nfs/dbraw/zinc/68/70/81/1096687081.db2.gz FYZLDRACALYXBO-WMZOPIPTSA-N 0 3 316.489 3.005 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001277141298 1096733316 /nfs/dbraw/zinc/73/33/16/1096733316.db2.gz OMEGNYFXEFYVIK-UHFFFAOYSA-N 0 3 306.475 3.316 20 30 DGEDHN C#CCCCC(=O)NC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001227108629 1096871522 /nfs/dbraw/zinc/87/15/22/1096871522.db2.gz UDHKHCUVGLMHET-HNNXBMFYSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC001277201093 1096917766 /nfs/dbraw/zinc/91/77/66/1096917766.db2.gz PJRGSSQRORDWNW-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCC(F)(F)C1 ZINC001277201090 1096917947 /nfs/dbraw/zinc/91/79/47/1096917947.db2.gz PJRGSSQRORDWNW-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN CC[C@@H](C)CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001277201794 1096919360 /nfs/dbraw/zinc/91/93/60/1096919360.db2.gz AFYUVZNFTBIARW-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001277202183 1096919408 /nfs/dbraw/zinc/91/94/08/1096919408.db2.gz IKZGLELAXFFNGD-JKSUJKDBSA-N 0 3 304.478 3.101 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@H]2C(=O)Nc2nnco2)C1 ZINC001277230665 1096967835 /nfs/dbraw/zinc/96/78/35/1096967835.db2.gz ARLGTDLODZOVMW-AWEZNQCLSA-N 0 3 320.437 3.081 20 30 DGEDHN CCCCCCCCC(=O)NCCCN[C@@H](C)c1cnccn1 ZINC001171818206 1096973858 /nfs/dbraw/zinc/97/38/58/1096973858.db2.gz AVCWRVOUHTVEKP-INIZCTEOSA-N 0 3 320.481 3.384 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1cc(C)n(C)n1 ZINC001171818978 1096974294 /nfs/dbraw/zinc/97/42/94/1096974294.db2.gz ZTOCSHJQFCKGJG-UHFFFAOYSA-N 0 3 322.497 3.075 20 30 DGEDHN CCCCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N(C)CCOC ZINC001277234304 1096976348 /nfs/dbraw/zinc/97/63/48/1096976348.db2.gz XLLVGNOCSKUFCO-MJGOQNOKSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001227765913 1096985206 /nfs/dbraw/zinc/98/52/06/1096985206.db2.gz NVUPKSQSIGLZER-INIZCTEOSA-N 0 3 317.477 3.408 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ns1 ZINC001227973859 1097022999 /nfs/dbraw/zinc/02/29/99/1097022999.db2.gz ZVFKOONICPBZLA-HUUCEWRRSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228124458 1097056029 /nfs/dbraw/zinc/05/60/29/1097056029.db2.gz YADCTARTTHJLQG-NUEKZKHPSA-N 0 3 321.490 3.262 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C\Cl)C1 ZINC001277285810 1097081397 /nfs/dbraw/zinc/08/13/97/1097081397.db2.gz QNSCHRVTJQRFKX-RVHKNYROSA-N 0 3 322.880 3.245 20 30 DGEDHN COc1ccc2c(c1)c(CN)nn2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172305483 1097095885 /nfs/dbraw/zinc/09/58/85/1097095885.db2.gz SOXUNXOFSMHGME-CYBMUJFWSA-N 0 3 320.396 3.179 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2cccc(O)c2)CC1 ZINC001172310852 1097097237 /nfs/dbraw/zinc/09/72/37/1097097237.db2.gz KDQVDFLBCNNJGM-INIZCTEOSA-N 0 3 321.424 3.017 20 30 DGEDHN Cc1ccnc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172319728 1097100184 /nfs/dbraw/zinc/10/01/84/1097100184.db2.gz QJLANUMMACBAIT-KRWDZBQOSA-N 0 3 320.440 3.015 20 30 DGEDHN CC(C)COCC[C@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001172468581 1097145927 /nfs/dbraw/zinc/14/59/27/1097145927.db2.gz LYHMWYZGKXCIOH-KRWDZBQOSA-N 0 3 315.461 3.131 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001228622220 1097155258 /nfs/dbraw/zinc/15/52/58/1097155258.db2.gz QIQWJERJINWGMB-UHFFFAOYSA-N 0 3 300.446 3.288 20 30 DGEDHN CC(C)N(C)Cc1cnc2n1CCN([C@@H](C)CCCC#N)[C@@H]2C ZINC001172495695 1097170292 /nfs/dbraw/zinc/17/02/92/1097170292.db2.gz TTYXMAYEFMCVEH-JKSUJKDBSA-N 0 3 317.481 3.182 20 30 DGEDHN C[C@H](CCCC#N)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172497390 1097170984 /nfs/dbraw/zinc/17/09/84/1097170984.db2.gz BKKDXOCGIGNWSX-ILXRZTDVSA-N 0 3 309.454 3.398 20 30 DGEDHN C[C@@H](CCCC#N)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001172500200 1097172237 /nfs/dbraw/zinc/17/22/37/1097172237.db2.gz KJFSZUAXQZEZQS-AWEZNQCLSA-N 0 3 309.454 3.400 20 30 DGEDHN C[C@H](CCCC#N)N1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001172510157 1097175093 /nfs/dbraw/zinc/17/50/93/1097175093.db2.gz WKFGGVXLNXMMKG-HUUCEWRRSA-N 0 3 317.408 3.102 20 30 DGEDHN C=CCCCC(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001228912827 1097216857 /nfs/dbraw/zinc/21/68/57/1097216857.db2.gz VSOARKZCPRGMCN-UHFFFAOYSA-N 0 3 316.445 3.002 20 30 DGEDHN C=CCCCC(=O)NC1CCN(Cc2ccc(OC)cc2)CC1 ZINC001228927688 1097219033 /nfs/dbraw/zinc/21/90/33/1097219033.db2.gz JCISMRZDJLDHKC-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)CC#Cc1ccccc1 ZINC001277363009 1097273268 /nfs/dbraw/zinc/27/32/68/1097273268.db2.gz PZSYOIDSDLDIBP-INIZCTEOSA-N 0 3 318.848 3.055 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001229347725 1097303108 /nfs/dbraw/zinc/30/31/08/1097303108.db2.gz UIRUELFOCHOADR-NWANDNLSSA-N 0 3 300.874 3.438 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCCc2ccc(F)cc2)CC1 ZINC001229356129 1097304301 /nfs/dbraw/zinc/30/43/01/1097304301.db2.gz WTHLJDBNGIQKBH-UHFFFAOYSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCCC(=O)N1CCC(N(CC(=C)Cl)CC2CC2)CC1 ZINC001277382373 1097311060 /nfs/dbraw/zinc/31/10/60/1097311060.db2.gz LMOJAAQBKUFNRK-UHFFFAOYSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001277382801 1097311301 /nfs/dbraw/zinc/31/13/01/1097311301.db2.gz RXAGLLNIMWEBSE-BLLLJJGKSA-N 0 3 310.869 3.098 20 30 DGEDHN C[C@@H]1CC[C@H](N2CCC[C@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173066455 1097316437 /nfs/dbraw/zinc/31/64/37/1097316437.db2.gz QEOZXEXYDLTKAA-PMPSAXMXSA-N 0 3 321.465 3.400 20 30 DGEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc(C#N)ccc2C1 ZINC001173221796 1097372101 /nfs/dbraw/zinc/37/21/01/1097372101.db2.gz MJNUMGCZPXJUBJ-AWEZNQCLSA-N 0 3 321.380 3.456 20 30 DGEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(C#N)cc2C1 ZINC001173220803 1097372304 /nfs/dbraw/zinc/37/23/04/1097372304.db2.gz CQFXLHCJZZHTIN-AWEZNQCLSA-N 0 3 321.380 3.456 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC/C=C/CC ZINC001277425788 1097401101 /nfs/dbraw/zinc/40/11/01/1097401101.db2.gz NPNBGQLYYQGPJJ-OBJZWFGXSA-N 0 3 302.462 3.212 20 30 DGEDHN N#Cc1ccc2cc(CN3CC4(CCN4C4CCCC4)C3)[nH]c2c1 ZINC001277457880 1097500324 /nfs/dbraw/zinc/50/03/24/1097500324.db2.gz QYUAOCOLHSVHJS-UHFFFAOYSA-N 0 3 320.440 3.242 20 30 DGEDHN C=C(C)CN(CCCNC(=O)CCC(C)C)Cc1cccnc1 ZINC001230662138 1097549102 /nfs/dbraw/zinc/54/91/02/1097549102.db2.gz BNQSUJYFKNWGCF-UHFFFAOYSA-N 0 3 317.477 3.402 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC001230681520 1097555146 /nfs/dbraw/zinc/55/51/46/1097555146.db2.gz IJEIQKHLNZWGGV-HNNXBMFYSA-N 0 3 307.438 3.100 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C(CC)CC)Cc1cccnc1 ZINC001230681064 1097555299 /nfs/dbraw/zinc/55/52/99/1097555299.db2.gz WJPDYUFKSXPNIH-UHFFFAOYSA-N 0 3 317.477 3.402 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C=C1CCC1)Cc1cccnc1 ZINC001230727083 1097567868 /nfs/dbraw/zinc/56/78/68/1097567868.db2.gz UVMJFVAIOZAFFF-UHFFFAOYSA-N 0 3 313.445 3.076 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001230748368 1097573101 /nfs/dbraw/zinc/57/31/01/1097573101.db2.gz GXQMETKQGOKKJV-QGZVFWFLSA-N 0 3 317.477 3.226 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230837671 1097602289 /nfs/dbraw/zinc/60/22/89/1097602289.db2.gz DDTOEWWXGSHYCC-SFHVURJKSA-N 0 3 303.450 3.012 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001231059659 1097658115 /nfs/dbraw/zinc/65/81/15/1097658115.db2.gz AEPCDWZDPOGAST-QZTJIDSGSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)COCCCC ZINC001231368291 1097732516 /nfs/dbraw/zinc/73/25/16/1097732516.db2.gz KFQAYXLEMOURRH-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001231412572 1097743083 /nfs/dbraw/zinc/74/30/83/1097743083.db2.gz FNVQWPOUKLHCLZ-HOCLYGCPSA-N 0 3 304.434 3.397 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](CCC)c3ccccc3)C2)C1 ZINC001277537895 1097782514 /nfs/dbraw/zinc/78/25/14/1097782514.db2.gz OQQGPWHKSNLITL-CTNGQTDRSA-N 0 3 324.468 3.128 20 30 DGEDHN CC1(O)CCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231576958 1097782532 /nfs/dbraw/zinc/78/25/32/1097782532.db2.gz LJDHWRYDDCGVJW-UHFFFAOYSA-N 0 3 305.421 3.433 20 30 DGEDHN C=CCOc1cccc(CN2CCC(N3CC(F)(F)C3)CC2)c1 ZINC001231625529 1097794342 /nfs/dbraw/zinc/79/43/42/1097794342.db2.gz RQPQUCLYUUCNKY-UHFFFAOYSA-N 0 3 322.399 3.167 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](CC(=O)OC)C2)c1 ZINC001231624013 1097794358 /nfs/dbraw/zinc/79/43/58/1097794358.db2.gz CXYSZENKSGGWBY-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1csc(C)n1 ZINC001174684386 1097799944 /nfs/dbraw/zinc/79/99/44/1097799944.db2.gz ZWHJOBVSJUCELK-ZDUSSCGKSA-N 0 3 323.506 3.428 20 30 DGEDHN C#Cc1cccc(CN2CCC(Oc3cccc(OC)n3)CC2)c1 ZINC001231663045 1097808529 /nfs/dbraw/zinc/80/85/29/1097808529.db2.gz HQRSQHPHRFFRMX-UHFFFAOYSA-N 0 3 322.408 3.115 20 30 DGEDHN CC[C@H](F)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001174727210 1097821388 /nfs/dbraw/zinc/82/13/88/1097821388.db2.gz XEMTZPREURYCNE-PBHICJAKSA-N 0 3 319.424 3.071 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001174848846 1097866779 /nfs/dbraw/zinc/86/67/79/1097866779.db2.gz IPOAMPWHFGXCEE-LSDHHAIUSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC)s1)C2 ZINC001110179101 1097926760 /nfs/dbraw/zinc/92/67/60/1097926760.db2.gz UWHHGKRLOQTPAQ-RDBSUJKOSA-N 0 3 319.474 3.007 20 30 DGEDHN Cc1nc(N)ccc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001232346995 1098010098 /nfs/dbraw/zinc/01/00/98/1098010098.db2.gz IMXLFJUPZJUWKF-UHFFFAOYSA-N 0 3 305.425 3.236 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CCC)c1ccccc1 ZINC001175367798 1098026894 /nfs/dbraw/zinc/02/68/94/1098026894.db2.gz YTTAZGGTLRCXNW-MRXNPFEDSA-N 0 3 308.853 3.419 20 30 DGEDHN COc1cc(Cl)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001232496905 1098059703 /nfs/dbraw/zinc/05/97/03/1098059703.db2.gz GPWYNQLJAMSCQW-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN COc1cc(CN2CCC[C@H](C#N)CC2)ccc1-n1cnc(C)c1 ZINC001232561686 1098079473 /nfs/dbraw/zinc/07/94/73/1098079473.db2.gz FWLYQKHFDCINER-INIZCTEOSA-N 0 3 324.428 3.315 20 30 DGEDHN C#CC1CCN(Cc2c(Cl)c3ccccc3n(C)c2=O)CC1 ZINC001232644870 1098106325 /nfs/dbraw/zinc/10/63/25/1098106325.db2.gz IOVVPADYSBVRAX-UHFFFAOYSA-N 0 3 314.816 3.037 20 30 DGEDHN COC(=O)c1cccc2c(CN3CCC[C@H](C#N)CC3)c[nH]c21 ZINC001232710362 1098118974 /nfs/dbraw/zinc/11/89/74/1098118974.db2.gz NUMTXFRFUJGFEW-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(O)cc3C#N)cc2)CC1 ZINC001175781905 1098168530 /nfs/dbraw/zinc/16/85/30/1098168530.db2.gz LPVIBZRCRLHJCA-UHFFFAOYSA-N 0 3 322.412 3.149 20 30 DGEDHN N#Cc1cccc(CN2CCC3(CCc4ccccc43)CC2)n1 ZINC001232922650 1098173356 /nfs/dbraw/zinc/17/33/56/1098173356.db2.gz JKKHLVGCJUMVNU-UHFFFAOYSA-N 0 3 303.409 3.433 20 30 DGEDHN C=CCCCN1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001175862135 1098193841 /nfs/dbraw/zinc/19/38/41/1098193841.db2.gz URVCHDWEBJOZDX-QAPCUYQASA-N 0 3 324.465 3.053 20 30 DGEDHN CCc1noc([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC001233082733 1098222287 /nfs/dbraw/zinc/22/22/87/1098222287.db2.gz VWHNYEBCVNXESA-MRXNPFEDSA-N 0 3 310.401 3.192 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001233082712 1098222984 /nfs/dbraw/zinc/22/29/84/1098222984.db2.gz UVPKZIQXWWOAQL-OAQYLSRUSA-N 0 3 317.436 3.282 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001233083623 1098223914 /nfs/dbraw/zinc/22/39/14/1098223914.db2.gz SMHRPBKGPRADSB-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN CN(C)c1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1C#N ZINC001233098778 1098226219 /nfs/dbraw/zinc/22/62/19/1098226219.db2.gz NKJNURFHLNRKEK-UONOGXRCSA-N 0 3 301.409 3.385 20 30 DGEDHN C#CCN(C[C@H](O)c1ccccc1Br)C(C)(C)C ZINC001176281233 1098298631 /nfs/dbraw/zinc/29/86/31/1098298631.db2.gz LFUXHBSYIMPCTA-AWEZNQCLSA-N 0 3 310.235 3.216 20 30 DGEDHN Fc1cc(F)cc(-c2n[nH]cc2CN2CCC(S)CC2)c1 ZINC001233405741 1098317991 /nfs/dbraw/zinc/31/79/91/1098317991.db2.gz KXXUULQPWHTFTQ-UHFFFAOYSA-N 0 3 309.385 3.249 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001233504020 1098355288 /nfs/dbraw/zinc/35/52/88/1098355288.db2.gz YZIXHSXDMVTCMN-SFHVURJKSA-N 0 3 324.509 3.472 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233528862 1098366272 /nfs/dbraw/zinc/36/62/72/1098366272.db2.gz CKOUTPGDDDYKNJ-INIZCTEOSA-N 0 3 303.450 3.216 20 30 DGEDHN C=CC[C@@H](C(=O)NCCCNCC(=C)Cl)c1ccccc1 ZINC001176697735 1098409418 /nfs/dbraw/zinc/40/94/18/1098409418.db2.gz MZYXBXLKBZLUTM-MRXNPFEDSA-N 0 3 306.837 3.195 20 30 DGEDHN N#C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233761111 1098424880 /nfs/dbraw/zinc/42/48/80/1098424880.db2.gz PXPCOCUZYZCXAU-LLVKDONJSA-N 0 3 314.307 3.416 20 30 DGEDHN N#C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233761111 1098424884 /nfs/dbraw/zinc/42/48/84/1098424884.db2.gz PXPCOCUZYZCXAU-LLVKDONJSA-N 0 3 314.307 3.416 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(C)o1 ZINC001233792071 1098432104 /nfs/dbraw/zinc/43/21/04/1098432104.db2.gz JNSMMXFTFVIRHY-KRWDZBQOSA-N 0 3 318.461 3.410 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001277810615 1098438985 /nfs/dbraw/zinc/43/89/85/1098438985.db2.gz NTJVQOKVQKOFOS-CYBMUJFWSA-N 0 3 324.827 3.075 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC(C)(C)c1ccccc1 ZINC001176975473 1098458845 /nfs/dbraw/zinc/45/88/45/1098458845.db2.gz SQSDBZMYIVIZCV-UHFFFAOYSA-N 0 3 308.853 3.203 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001233967359 1098468312 /nfs/dbraw/zinc/46/83/12/1098468312.db2.gz ZPLUXISUBWZAIM-ZWKOTPCHSA-N 0 3 312.457 3.392 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001234087811 1098492982 /nfs/dbraw/zinc/49/29/82/1098492982.db2.gz LKEVEFGFJMCOEU-ZIAGYGMSSA-N 0 3 302.409 3.145 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCCC1CCCC1 ZINC001234118535 1098498419 /nfs/dbraw/zinc/49/84/19/1098498419.db2.gz JJCAIPHMVOZICT-GOSISDBHSA-N 0 3 304.478 3.149 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CC/C=C/c1ccccc1 ZINC001234159879 1098507368 /nfs/dbraw/zinc/50/73/68/1098507368.db2.gz CHJQPUJUSXCAHH-WUTDNEBXSA-N 0 3 324.468 3.282 20 30 DGEDHN CN(C[C@H]1CCN1[C@H]1CCCc2ccccc21)C(=O)C#CC1CC1 ZINC001234195956 1098512174 /nfs/dbraw/zinc/51/21/74/1098512174.db2.gz OOHSTSKICWYQPH-QUCCMNQESA-N 0 3 322.452 3.010 20 30 DGEDHN CN(C[C@@H]1CCN1CCC1=CCCCC1)C(=O)C#CC(C)(C)C ZINC001234214987 1098515349 /nfs/dbraw/zinc/51/53/49/1098515349.db2.gz GWYABSMAWYQSGU-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)c1cc[nH]c1 ZINC001177328499 1098518009 /nfs/dbraw/zinc/51/80/09/1098518009.db2.gz LNXFFIKYAAXEJF-UHFFFAOYSA-N 0 3 323.868 3.379 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1CC(c2ccccc2)C1 ZINC001177366254 1098520606 /nfs/dbraw/zinc/52/06/06/1098520606.db2.gz VPLJGRKCUCQJIA-UHFFFAOYSA-N 0 3 306.837 3.029 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)s1)C2 ZINC001110211023 1098557572 /nfs/dbraw/zinc/55/75/72/1098557572.db2.gz BKFJGCKAQCWIRQ-PVAVHDDUSA-N 0 3 318.486 3.287 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001277858830 1098561301 /nfs/dbraw/zinc/56/13/01/1098561301.db2.gz QJKFIBDPFCLOIK-AWEZNQCLSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1c(C)oc2ccccc21 ZINC001177610904 1098566255 /nfs/dbraw/zinc/56/62/55/1098566255.db2.gz RIDNPDZKCRECHI-UHFFFAOYSA-N 0 3 320.820 3.132 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CCN1CC/C=C\CC)OCC ZINC001234644992 1098629660 /nfs/dbraw/zinc/62/96/60/1098629660.db2.gz XUKNZDXEXVJQEH-VTFYZGIISA-N 0 3 322.493 3.247 20 30 DGEDHN C#C[C@H](CCCC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234660346 1098635974 /nfs/dbraw/zinc/63/59/74/1098635974.db2.gz GYYDRVRJLKOWQT-GOSISDBHSA-N 0 3 300.446 3.399 20 30 DGEDHN CC[C@H](C)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001177899042 1098642050 /nfs/dbraw/zinc/64/20/50/1098642050.db2.gz SNIHFFLQZZYMJU-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1csc(CC)n1 ZINC001178018436 1098679746 /nfs/dbraw/zinc/67/97/46/1098679746.db2.gz UAXUHRWSYUIRGJ-UHFFFAOYSA-N 0 3 323.506 3.438 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178102035 1098703775 /nfs/dbraw/zinc/70/37/75/1098703775.db2.gz MYCOCJXWWQKQFF-HKUYNNGSSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC/C=C/CCC)CCC1 ZINC001235209124 1098880502 /nfs/dbraw/zinc/88/05/02/1098880502.db2.gz JLRREFWZEUDWDM-DVBCCOPCSA-N 0 3 316.489 3.459 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001178648595 1098895440 /nfs/dbraw/zinc/89/54/40/1098895440.db2.gz HUSTZNMDGURTQC-YOEHRIQHSA-N 0 3 318.848 3.078 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001178802830 1098935146 /nfs/dbraw/zinc/93/51/46/1098935146.db2.gz WAYBEPTVEMCLQM-YOEHRIQHSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCCC(=O)NCCCN(C)Cc1ccccc1OC1CC1 ZINC001235452224 1099041974 /nfs/dbraw/zinc/04/19/74/1099041974.db2.gz WTDFRBSJAQJZHR-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN CCCC[C@@H](CC)CN1C[C@H]2CN(CCCCC#N)C[C@@H](C1)O2 ZINC001277949364 1099065712 /nfs/dbraw/zinc/06/57/12/1099065712.db2.gz WGWWQKAJWJOFRI-QRVBRYPASA-N 0 3 321.509 3.282 20 30 DGEDHN CC(C)OCCN(CCOC(C)C)Cc1ccccc1CC#N ZINC001235523776 1099071412 /nfs/dbraw/zinc/07/14/12/1099071412.db2.gz URIGUIKHRQKZTD-UHFFFAOYSA-N 0 3 318.461 3.405 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)[C@H]1CCC1(C)C ZINC001179364935 1099083296 /nfs/dbraw/zinc/08/32/96/1099083296.db2.gz STOFRTWTTXDOGC-UHOSZYNNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@@H]1C ZINC001179451977 1099103724 /nfs/dbraw/zinc/10/37/24/1099103724.db2.gz LLFZCVLWOIBTEL-GUYCJALGSA-N 0 3 322.399 3.400 20 30 DGEDHN CCCCCN1CCN(Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235657042 1099110133 /nfs/dbraw/zinc/11/01/33/1099110133.db2.gz JKNQWLAEQKUIPI-UHFFFAOYSA-N 0 3 307.388 3.144 20 30 DGEDHN C=CCCCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235796597 1099184345 /nfs/dbraw/zinc/18/43/45/1099184345.db2.gz SKUQRZIHTUXLDP-OAHLLOKOSA-N 0 3 309.251 3.362 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001235863184 1099222474 /nfs/dbraw/zinc/22/24/74/1099222474.db2.gz DFKMRIVAUTYRGJ-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1cc(Cl)cc(CN2CCN[C@H](c3ccccc3)C2)c1 ZINC001235863771 1099225079 /nfs/dbraw/zinc/22/50/79/1099225079.db2.gz JCWQFQUVWMURIT-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN CCCCCCC/C=C/CN1CCC[C@@H]([C@H](N)C(=O)OC)C1 ZINC001236273907 1099515844 /nfs/dbraw/zinc/51/58/44/1099515844.db2.gz KVWXRFPZKKEKEA-ZUQFGZKASA-N 0 3 310.482 3.115 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)OCCCCCC)[C@@H]2C1 ZINC001187912024 1099627631 /nfs/dbraw/zinc/62/76/31/1099627631.db2.gz RBTVWHJNWZWZTH-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN CSc1cccc(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001188028370 1099671118 /nfs/dbraw/zinc/67/11/18/1099671118.db2.gz ODJSOUFPJCXGEV-CYBMUJFWSA-N 0 3 320.439 3.215 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001188820790 1099871083 /nfs/dbraw/zinc/87/10/83/1099871083.db2.gz JWVFFIPZOJQGTH-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CC2(c3ccccc3)CC2)CC1 ZINC001278057555 1099999519 /nfs/dbraw/zinc/99/95/19/1099999519.db2.gz PNFNYZNBBLAGOK-UHFFFAOYSA-N 0 3 324.468 3.102 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1occc1[S-])C2 ZINC001237178208 1100015883 /nfs/dbraw/zinc/01/58/83/1100015883.db2.gz WHKCLQPGJDISER-IRXDYDNUSA-N 0 3 323.458 3.142 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1occc1[S-])C2 ZINC001237178208 1100015888 /nfs/dbraw/zinc/01/58/88/1100015888.db2.gz WHKCLQPGJDISER-IRXDYDNUSA-N 0 3 323.458 3.142 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)CC1 ZINC001278072470 1100045356 /nfs/dbraw/zinc/04/53/56/1100045356.db2.gz HRYOPQFCIOYHFG-GGPKGHCWSA-N 0 3 312.457 3.152 20 30 DGEDHN N#CCCSCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001189496075 1100068966 /nfs/dbraw/zinc/06/89/66/1100068966.db2.gz VOTCLEBEYKZBSI-UHFFFAOYSA-N 0 3 323.893 3.499 20 30 DGEDHN O=C1C=C2CN(Cc3cnc(-c4ccccc4)o3)CCC2S1 ZINC001237362710 1100095298 /nfs/dbraw/zinc/09/52/98/1100095298.db2.gz DOTGYZVVOWFBEF-OAHLLOKOSA-N 0 3 312.394 3.116 20 30 DGEDHN N#Cc1cc(CN2CCC3(CCc4ccccc43)CC2)ccn1 ZINC001237465149 1100133351 /nfs/dbraw/zinc/13/33/51/1100133351.db2.gz WFEVDQOATDOVBN-UHFFFAOYSA-N 0 3 303.409 3.433 20 30 DGEDHN C#C[C@H]1CCCN(Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001237501616 1100148811 /nfs/dbraw/zinc/14/88/11/1100148811.db2.gz SGSSWYUIHPVTFF-LBPRGKRZSA-N 0 3 300.789 3.439 20 30 DGEDHN CCCN(CCc1ccccn1)Cc1cn2cc(C#N)ccc2n1 ZINC001237605847 1100186180 /nfs/dbraw/zinc/18/61/80/1100186180.db2.gz DXMHBXJUXKDZRM-UHFFFAOYSA-N 0 3 319.412 3.056 20 30 DGEDHN CC(C)CCOC1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001190699692 1100317904 /nfs/dbraw/zinc/31/79/04/1100317904.db2.gz MPSGDEZQVOCGEH-IBGZPJMESA-N 0 3 316.445 3.119 20 30 DGEDHN O=C1C=C2CN(Cc3cncc(Cl)c3Cl)CCC2S1 ZINC001238005875 1100325517 /nfs/dbraw/zinc/32/55/17/1100325517.db2.gz UXOOCMUUWONLSN-LLVKDONJSA-N 0 3 315.225 3.163 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001273606938 1100332232 /nfs/dbraw/zinc/33/22/32/1100332232.db2.gz GKXVSMPEOUGIJU-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(O)ccc1C)C2 ZINC001238099387 1100360637 /nfs/dbraw/zinc/36/06/37/1100360637.db2.gz OXBCNCTXUNSEPC-RTBURBONSA-N 0 3 317.429 3.027 20 30 DGEDHN CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001151924865 1100391244 /nfs/dbraw/zinc/39/12/44/1100391244.db2.gz IDXVBBKHSVXXQW-OAHLLOKOSA-N 0 3 301.434 3.075 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001191237053 1100436906 /nfs/dbraw/zinc/43/69/06/1100436906.db2.gz HMCAPCLKCZHXGK-RCCFBDPRSA-N 0 3 324.509 3.111 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(F)c(C4CC4)c3)CCC2S1 ZINC001238499218 1100459765 /nfs/dbraw/zinc/45/97/65/1100459765.db2.gz PCCHPHDCHPKHLY-MRXNPFEDSA-N 0 3 303.402 3.477 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001278263602 1100496861 /nfs/dbraw/zinc/49/68/61/1100496861.db2.gz KSLBNONNLVJQQI-XJKSGUPXSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191717625 1100501856 /nfs/dbraw/zinc/50/18/56/1100501856.db2.gz AHSVDZFJWCVCPF-PEKVBPLLSA-N 0 3 312.457 3.445 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1sc(C)nc1C ZINC001273629012 1100548952 /nfs/dbraw/zinc/54/89/52/1100548952.db2.gz XUWWFDBQEODQFP-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C=CCCC1(C(=O)N2CC[C@H](N(C)CCOCCCC)C2)CC1 ZINC001192217181 1100590529 /nfs/dbraw/zinc/59/05/29/1100590529.db2.gz CVIKZEKNTUFLCY-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001192578043 1100637745 /nfs/dbraw/zinc/63/77/45/1100637745.db2.gz LOKKNUWHEOVWMR-KRWDZBQOSA-N 0 3 318.436 3.461 20 30 DGEDHN CCCCCCCNC(=S)NC[C@@H]1Cc2ccccc2CN1 ZINC001239374850 1100647116 /nfs/dbraw/zinc/64/71/16/1100647116.db2.gz ASIUJIAQTOUJIP-KRWDZBQOSA-N 0 3 319.518 3.135 20 30 DGEDHN CCCCCCCCCNC(=S)NC[C@H]1CCNC[C@@H]1F ZINC001239374414 1100647295 /nfs/dbraw/zinc/64/72/95/1100647295.db2.gz WCKMCVIMPVYGAM-CABCVRRESA-N 0 3 317.518 3.149 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CCC)c2ccccc2)C1 ZINC001193877572 1100821872 /nfs/dbraw/zinc/82/18/72/1100821872.db2.gz HCGCVDOVPVXBRR-QZTJIDSGSA-N 0 3 300.446 3.289 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccccc3OCC#N)cc2)CC1 ZINC001240408068 1100982444 /nfs/dbraw/zinc/98/24/44/1100982444.db2.gz CTLOGRLJMDQSME-UHFFFAOYSA-N 0 3 321.424 3.003 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cccnc2)CC1 ZINC001194666521 1100987875 /nfs/dbraw/zinc/98/78/75/1100987875.db2.gz VFEOEENPFPNRRL-UHFFFAOYSA-N 0 3 303.450 3.200 20 30 DGEDHN Cc1cccc([C@@H](O)CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC001194791267 1101005016 /nfs/dbraw/zinc/00/50/16/1101005016.db2.gz IHIAHUCFYRZZPF-FQEVSTJZSA-N 0 3 324.424 3.049 20 30 DGEDHN Cc1sccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240500957 1101024150 /nfs/dbraw/zinc/02/41/50/1101024150.db2.gz WVFGWAPSNOBCKY-GFCCVEGCSA-N 0 3 315.398 3.462 20 30 DGEDHN N#Cc1cc(-c2ccc([O-])c(F)c2)ccc1OC1CC[NH2+]CC1 ZINC001240786216 1101137834 /nfs/dbraw/zinc/13/78/34/1101137834.db2.gz BHXMSGQTUVAYSA-UHFFFAOYSA-N 0 3 312.344 3.201 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001195492056 1101149646 /nfs/dbraw/zinc/14/96/46/1101149646.db2.gz NUZBOXPTZVSHGA-IAGOWNOFSA-N 0 3 324.509 3.089 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2nccn2CC)CC1 ZINC001195639107 1101166247 /nfs/dbraw/zinc/16/62/47/1101166247.db2.gz BCTJIGHPVOLPGA-UHFFFAOYSA-N 0 3 320.481 3.021 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2cc(C)ccc2C)CC1 ZINC001195645707 1101169464 /nfs/dbraw/zinc/16/94/64/1101169464.db2.gz XYTQKIWSEWXOJO-UHFFFAOYSA-N 0 3 312.457 3.141 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C[C@H](OCC)C2=CCCC2)CC1 ZINC001195852734 1101207221 /nfs/dbraw/zinc/20/72/21/1101207221.db2.gz CFUBETGCELOGJA-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN Cc1ccc(F)cc1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001195893709 1101212844 /nfs/dbraw/zinc/21/28/44/1101212844.db2.gz YVBROHUMEASADT-CYBMUJFWSA-N 0 3 322.430 3.105 20 30 DGEDHN C=CCn1cccc1C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196171957 1101262005 /nfs/dbraw/zinc/26/20/05/1101262005.db2.gz SMZFZVDFZLSXIT-WAYWQWQTSA-N 0 3 315.461 3.178 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C/c2cccc(F)c2)CC1 ZINC001196200530 1101266815 /nfs/dbraw/zinc/26/68/15/1101266815.db2.gz LEFRFOAJOYKJQX-QPJJXVBHSA-N 0 3 316.420 3.339 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C(C)(C)c1ccccc1Cl ZINC001273716203 1101273899 /nfs/dbraw/zinc/27/38/99/1101273899.db2.gz GAFUCXZNZABTBH-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN CC(C)N(C(=S)Nc1ccccc1C#N)C1CCN(C)CC1 ZINC001196318408 1101284146 /nfs/dbraw/zinc/28/41/46/1101284146.db2.gz GBVHFGLPARXWKG-UHFFFAOYSA-N 0 3 316.474 3.060 20 30 DGEDHN C=CC[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC001196442574 1101301772 /nfs/dbraw/zinc/30/17/72/1101301772.db2.gz RQAFFAFBTLEXHJ-MLGOLLRUSA-N 0 3 322.811 3.482 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CCCCCF)CC2)CCC1 ZINC001197077199 1101472537 /nfs/dbraw/zinc/47/25/37/1101472537.db2.gz QNPWTSNOBBPQEZ-UHFFFAOYSA-N 0 3 310.457 3.407 20 30 DGEDHN C#CCCN1CCCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC001197159037 1101492079 /nfs/dbraw/zinc/49/20/79/1101492079.db2.gz ZVQKXPLBWFHKRJ-KPKJPENVSA-N 0 3 310.441 3.038 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001197300891 1101522170 /nfs/dbraw/zinc/52/21/70/1101522170.db2.gz VDRWKLQJUNRVOL-AWEZNQCLSA-N 0 3 317.433 3.055 20 30 DGEDHN C#CCCN1CCCN(C(=O)CC[C@H](C)c2ccccc2)CC1 ZINC001197353506 1101538604 /nfs/dbraw/zinc/53/86/04/1101538604.db2.gz AMGFLQJDAQKWFL-SFHVURJKSA-N 0 3 312.457 3.128 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001197460321 1101576651 /nfs/dbraw/zinc/57/66/51/1101576651.db2.gz BQMVFCLFBYCAME-UHFFFAOYSA-N 0 3 320.481 3.145 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2C[C@H](C)CC(F)(F)F)C1=O ZINC001273747225 1101595173 /nfs/dbraw/zinc/59/51/73/1101595173.db2.gz LXABADSZUKASNY-UKRRQHHQSA-N 0 3 318.383 3.218 20 30 DGEDHN Cc1nc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)[nH]c1C ZINC001197845311 1101675252 /nfs/dbraw/zinc/67/52/52/1101675252.db2.gz WUUXYGAPYIYEAY-UHFFFAOYSA-N 0 3 312.392 3.417 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2sccc2OC)CC1 ZINC001197893424 1101692894 /nfs/dbraw/zinc/69/28/94/1101692894.db2.gz NVVYOMOFQGLYBD-AWEZNQCLSA-N 0 3 322.474 3.259 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001198002759 1101722879 /nfs/dbraw/zinc/72/28/79/1101722879.db2.gz TWLIZFVPXGHTPJ-UHFFFAOYSA-N 0 3 320.481 3.090 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)C(CC)CC)C2 ZINC001278336595 1101724573 /nfs/dbraw/zinc/72/45/73/1101724573.db2.gz RJRSBRGBWYCWEE-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC001198053133 1101736863 /nfs/dbraw/zinc/73/68/63/1101736863.db2.gz GBADFZNRNYKJQY-CYBMUJFWSA-N 0 3 321.490 3.263 20 30 DGEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCCCCCCC)C1 ZINC001198103460 1101762666 /nfs/dbraw/zinc/76/26/66/1101762666.db2.gz HNWKCMQRNWOKMO-QZTJIDSGSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(C[C@H](C)OC)CC2)CCCCC1 ZINC001198221016 1101781523 /nfs/dbraw/zinc/78/15/23/1101781523.db2.gz DLZUKWDUIDKDGY-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC[C@@H](C)F)CC2)CCCCC1 ZINC001198316216 1101816478 /nfs/dbraw/zinc/81/64/78/1101816478.db2.gz WEWAWLHGORMTQZ-QGZVFWFLSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(C[C@H](CC)OC)CC2)CCCC1 ZINC001198422776 1101850532 /nfs/dbraw/zinc/85/05/32/1101850532.db2.gz FZJIBSDYQCFRPL-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)CC(C)C)c1ccccc1OC ZINC001198499463 1101877933 /nfs/dbraw/zinc/87/79/33/1101877933.db2.gz MDPPLGOQFBVVSX-QGZVFWFLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CCCC)c1ccccc1OC ZINC001198543603 1101914131 /nfs/dbraw/zinc/91/41/31/1101914131.db2.gz QIKCTUXEFICQAU-INIZCTEOSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)/C(C)=C/CC)c1ccccc1OC ZINC001198584968 1101931145 /nfs/dbraw/zinc/93/11/45/1101931145.db2.gz OTGXRXUKPGIQKB-OBHPCNEJSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1OC ZINC001198648437 1101941661 /nfs/dbraw/zinc/94/16/61/1101941661.db2.gz VLGHMISEYQAIHK-WMLDXEAASA-N 0 3 316.445 3.064 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C1=CCCC1)c1ccccc1OC ZINC001198656238 1101943736 /nfs/dbraw/zinc/94/37/36/1101943736.db2.gz KXPVINATNNRLHF-KRWDZBQOSA-N 0 3 314.429 3.129 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C[C@@H](C)CC)c1ccccc1OC ZINC001198696439 1101949335 /nfs/dbraw/zinc/94/93/35/1101949335.db2.gz ZFYICQMBUZHHLV-RDJZCZTQSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)CCCF)c1ccccc1OC ZINC001198828660 1101988372 /nfs/dbraw/zinc/98/83/72/1101988372.db2.gz YZVWNDMLKVOTKP-INIZCTEOSA-N 0 3 322.424 3.158 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198827349 1101988668 /nfs/dbraw/zinc/98/86/68/1101988668.db2.gz QJMQQWFVKORKCE-MRXNPFEDSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1OC ZINC001198834852 1101990929 /nfs/dbraw/zinc/99/09/29/1101990929.db2.gz OZFFGEWDTWTVBU-DJIMGWMZSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1OC ZINC001198842248 1102011789 /nfs/dbraw/zinc/01/17/89/1102011789.db2.gz FIVWACHBPZSGKN-XIRDDKMYSA-N 0 3 316.445 3.064 20 30 DGEDHN C=CCCC1(C(=O)NC[C@H](NCC)c2ccccc2OC)CC1 ZINC001198885873 1102022034 /nfs/dbraw/zinc/02/20/34/1102022034.db2.gz VGKDQMWWFNCVQK-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN N#Cc1ccccc1OCCN1CCSC[C@@H]1C1CCC1 ZINC001618684782 1193747505 /nfs/dbraw/zinc/74/75/05/1193747505.db2.gz LVGVEBSJVZPWMH-MRXNPFEDSA-N 0 3 302.443 3.155 20 30 DGEDHN Cc1cccc([C@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110537922 1102170990 /nfs/dbraw/zinc/17/09/90/1102170990.db2.gz FMUJKDVVPOJKIM-NBYUQASBSA-N 0 3 324.468 3.437 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCO[C@@H](C)CC(C)C)C2 ZINC001110550170 1102326874 /nfs/dbraw/zinc/32/68/74/1102326874.db2.gz DUARNGJCPUELDA-MLHJIOFPSA-N 0 3 322.493 3.125 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001273840888 1102370731 /nfs/dbraw/zinc/37/07/31/1102370731.db2.gz OWONZNJNVPZNHM-MJGOQNOKSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(F)c(C)c1 ZINC001201048240 1102482323 /nfs/dbraw/zinc/48/23/23/1102482323.db2.gz ZUVRYAQYXCDGFZ-AWEZNQCLSA-N 0 3 307.438 3.071 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(SC)cc1 ZINC001201194410 1102514836 /nfs/dbraw/zinc/51/48/36/1102514836.db2.gz JMJRBQZRTNIQBP-AWEZNQCLSA-N 0 3 321.515 3.345 20 30 DGEDHN C#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC001201470887 1102623562 /nfs/dbraw/zinc/62/35/62/1102623562.db2.gz YJFWHXROCGGGOB-RTWAWAEBSA-N 0 3 315.420 3.218 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001201960115 1102771960 /nfs/dbraw/zinc/77/19/60/1102771960.db2.gz UBBZUENIRRSNRH-LUAWRHEFSA-N 0 3 305.249 3.098 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001202131154 1102848013 /nfs/dbraw/zinc/84/80/13/1102848013.db2.gz UONXJHVHBRDUDQ-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN Cc1cccc(C)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001202200107 1102886798 /nfs/dbraw/zinc/88/67/98/1102886798.db2.gz ZRMBWVZPHLZZQP-CYBMUJFWSA-N 0 3 302.399 3.109 20 30 DGEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1csc(C)c1)CC2 ZINC001273942259 1102969000 /nfs/dbraw/zinc/96/90/00/1102969000.db2.gz IBXMRMLDBFSAEN-MRXNPFEDSA-N 0 3 318.486 3.351 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC(NC/C(Cl)=C/Cl)CC2)C1 ZINC001202407932 1102972886 /nfs/dbraw/zinc/97/28/86/1102972886.db2.gz RNXZJGJZOAUWFS-XFXZXTDPSA-N 0 3 317.260 3.242 20 30 DGEDHN N#C[C@H]1CC=C(c2cccc3cc([C@H]4CNCCO4)cn32)CC1 ZINC001243795715 1102982427 /nfs/dbraw/zinc/98/24/27/1102982427.db2.gz UJCDSMLFJSTSEV-IFXJQAMLSA-N 0 3 307.397 3.307 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC001325436327 1103032422 /nfs/dbraw/zinc/03/24/22/1103032422.db2.gz IPKWPDJPHRMMLU-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001488651053 1103082972 /nfs/dbraw/zinc/08/29/72/1103082972.db2.gz LFXWPSZFZLZNPI-GOSISDBHSA-N 0 3 302.462 3.213 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1F ZINC001488671273 1103102903 /nfs/dbraw/zinc/10/29/03/1103102903.db2.gz OUZHMSUYPIMBNR-HUUCEWRRSA-N 0 3 304.409 3.038 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC1(C)CCCC1 ZINC001325691002 1103103008 /nfs/dbraw/zinc/10/30/08/1103103008.db2.gz YBXPIMGFQQZTMC-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccoc1CCC ZINC001325708830 1103105298 /nfs/dbraw/zinc/10/52/98/1103105298.db2.gz WDYNRKQJQPMAQX-UHFFFAOYSA-N 0 3 324.424 3.097 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[C@H](C)CC ZINC001325901459 1103157631 /nfs/dbraw/zinc/15/76/31/1103157631.db2.gz WTRAGOYCYSSROK-FGTMMUONSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2cccc(C(F)F)c2)CC1 ZINC001325941505 1103168558 /nfs/dbraw/zinc/16/85/58/1103168558.db2.gz AKQXYLNNBFRAMS-UHFFFAOYSA-N 0 3 323.387 3.074 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001488846691 1103176766 /nfs/dbraw/zinc/17/67/66/1103176766.db2.gz MUHBOTCXQOORTJ-MXVIHJGJSA-N 0 3 324.468 3.269 20 30 DGEDHN Cc1cncc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1C ZINC001244152188 1103237253 /nfs/dbraw/zinc/23/72/53/1103237253.db2.gz OGFNAAFTCJDAFF-ZDUSSCGKSA-N 0 3 324.384 3.104 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001489200816 1103311185 /nfs/dbraw/zinc/31/11/85/1103311185.db2.gz NHYOELAHKHRLOQ-OTWHNJEPSA-N 0 3 316.489 3.173 20 30 DGEDHN CC(C)C#CC(=O)NCc1ccc([C@H](C)NC/C=C\Cl)cc1 ZINC001326466337 1103328536 /nfs/dbraw/zinc/32/85/36/1103328536.db2.gz BUFGLMPXKKBNIX-WQTJRACASA-N 0 3 318.848 3.365 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCC(C)C)cc1 ZINC001326495566 1103343044 /nfs/dbraw/zinc/34/30/44/1103343044.db2.gz UTWMSJZVVDLZNO-INIZCTEOSA-N 0 3 300.446 3.413 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114724953 1103410538 /nfs/dbraw/zinc/41/05/38/1103410538.db2.gz WDAAXMVBTWBMAY-KKBVYLPWSA-N 0 3 318.486 3.205 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001276327059 1103497292 /nfs/dbraw/zinc/49/72/92/1103497292.db2.gz OGOHDXMDSVYSID-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCCCN1C[C@@H](F)CC ZINC001276319308 1103489021 /nfs/dbraw/zinc/48/90/21/1103489021.db2.gz JXPWFCXUEZYBGS-IRXDYDNUSA-N 0 3 310.457 3.289 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001276326691 1103495713 /nfs/dbraw/zinc/49/57/13/1103495713.db2.gz JDRVSCMEINXCJE-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC2(C=C)CCCCC2)CC1 ZINC001327156424 1103559624 /nfs/dbraw/zinc/55/96/24/1103559624.db2.gz KQNZKPIXOUBNEB-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc2c(ccc(C)c2C)[nH]1)C1CC1 ZINC001490381416 1103585004 /nfs/dbraw/zinc/58/50/04/1103585004.db2.gz SOJYNOXGDYAPBA-UHFFFAOYSA-N 0 3 323.440 3.002 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CC(C)(C)CC(F)F)CC1 ZINC001490413892 1103615808 /nfs/dbraw/zinc/61/58/08/1103615808.db2.gz XODLYMTTWFOLBH-UHFFFAOYSA-N 0 3 302.409 3.167 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC001327290514 1103616870 /nfs/dbraw/zinc/61/68/70/1103616870.db2.gz FGRZWGXLUBSQDE-UHFFFAOYSA-N 0 3 317.477 3.103 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(C)cc2C)C1 ZINC001490553738 1103650511 /nfs/dbraw/zinc/65/05/11/1103650511.db2.gz XREXLCUYAMNNML-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN N#Cc1c(Cl)cccc1-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001244725595 1103655212 /nfs/dbraw/zinc/65/52/12/1103655212.db2.gz YLDCLBRBHZJHSE-OAHLLOKOSA-N 0 3 324.815 3.478 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC001490606501 1103677341 /nfs/dbraw/zinc/67/73/41/1103677341.db2.gz TXBGFZGCTXMDLX-HKUYNNGSSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2occc2C)CC1 ZINC001490610713 1103679131 /nfs/dbraw/zinc/67/91/31/1103679131.db2.gz WKEXWDFHTVZCLN-UHFFFAOYSA-N 0 3 304.434 3.481 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C[C@@H](C)SC)cc2C1 ZINC001327686058 1103706876 /nfs/dbraw/zinc/70/68/76/1103706876.db2.gz VRKPZINJVPYKIQ-CQSZACIVSA-N 0 3 318.486 3.336 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3occc3s1)C2 ZINC001096002809 1103723617 /nfs/dbraw/zinc/72/36/17/1103723617.db2.gz ABYCZHGDLYUDLR-AGIUHOORSA-N 0 3 316.426 3.406 20 30 DGEDHN C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001327826059 1103733615 /nfs/dbraw/zinc/73/36/15/1103733615.db2.gz BLYBPMYIYUPEMN-DOTOQJQBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(F)c1)C2 ZINC001096056133 1103743040 /nfs/dbraw/zinc/74/30/40/1103743040.db2.gz YICCTYJELLYXLH-IKGGRYGDSA-N 0 3 302.393 3.045 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001490789557 1103743555 /nfs/dbraw/zinc/74/35/55/1103743555.db2.gz NIVPITNNTCKPJO-OAGGEKHMSA-N 0 3 315.461 3.221 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CSC(C)C ZINC001490784301 1103744365 /nfs/dbraw/zinc/74/43/65/1103744365.db2.gz ZJEKMYXMNRUPRB-OAGGEKHMSA-N 0 3 310.507 3.158 20 30 DGEDHN CCCC1(C(=O)N2C[C@H](NCC#Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001327900706 1103759938 /nfs/dbraw/zinc/75/99/38/1103759938.db2.gz HOLZFFJSISBNNP-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C2 ZINC001096141898 1103766126 /nfs/dbraw/zinc/76/61/26/1103766126.db2.gz JQYLBRRLFMPOCO-RMMWZPCPSA-N 0 3 324.468 3.396 20 30 DGEDHN C[C@H]1CN(C(=O)CCC2(C)CC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001327923139 1103766256 /nfs/dbraw/zinc/76/62/56/1103766256.db2.gz GQSLDPIGSNMLTC-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C2 ZINC001096195047 1103782048 /nfs/dbraw/zinc/78/20/48/1103782048.db2.gz JXYJUXDYGSHSAL-DACLVMHWSA-N 0 3 316.420 3.227 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccsc1)C2 ZINC001110696911 1103792434 /nfs/dbraw/zinc/79/24/34/1103792434.db2.gz QSFHVHNAZXDSCT-ZACQAIPSSA-N 0 3 318.486 3.368 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cnccc2C)CC1(C)C ZINC001328069263 1103833092 /nfs/dbraw/zinc/83/30/92/1103833092.db2.gz WSBQJLACCGMGQX-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)F)o1)C2 ZINC001096448931 1103836819 /nfs/dbraw/zinc/83/68/19/1103836819.db2.gz NBTIUXJZQMAELO-WOPDTQHZSA-N 0 3 310.344 3.128 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(s1)CCC3)C2 ZINC001096487254 1103846048 /nfs/dbraw/zinc/84/60/48/1103846048.db2.gz HJNINTZMQPHIKH-ILXRZTDVSA-N 0 3 316.470 3.148 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCOCC(C)C)CC1(C)C ZINC001328104068 1103847786 /nfs/dbraw/zinc/84/77/86/1103847786.db2.gz ZLMRJTWCWOALBX-MRXNPFEDSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114343606 1103868251 /nfs/dbraw/zinc/86/82/51/1103868251.db2.gz QYNRBHZINYCYHW-WKCGWZECSA-N 0 3 316.420 3.289 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114343560 1103868401 /nfs/dbraw/zinc/86/84/01/1103868401.db2.gz QFXCWKRXHAJBKK-CKNFYHOISA-N 0 3 316.420 3.289 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC001328247168 1103890720 /nfs/dbraw/zinc/89/07/20/1103890720.db2.gz YIPXSGZJZPRNPF-RDJZCZTQSA-N 0 3 316.445 3.131 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H]1CCc2ccccc21 ZINC001328429575 1103942947 /nfs/dbraw/zinc/94/29/47/1103942947.db2.gz RHCRYZNRNXVSNL-GOEBONIOSA-N 0 3 320.864 3.343 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C=C)c1ccccc1)C2 ZINC001111440373 1103954753 /nfs/dbraw/zinc/95/47/53/1103954753.db2.gz MESKXUIBUMHPIX-AFYVEPGGSA-N 0 3 322.452 3.091 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001328469481 1103958830 /nfs/dbraw/zinc/95/88/30/1103958830.db2.gz RJKNJPHQNFCIHK-FQEVSTJZSA-N 0 3 324.468 3.306 20 30 DGEDHN C=C(C)CCN1CCOC2(CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001328485923 1103964928 /nfs/dbraw/zinc/96/49/28/1103964928.db2.gz QTTKXNSLNJYSAD-SAPNQHFASA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCC[C@H](NCc1cc(C(=O)OCC)n[nH]1)c1ccccc1 ZINC001328512637 1103973360 /nfs/dbraw/zinc/97/33/60/1103973360.db2.gz QSVNTSIQWZTBFV-INIZCTEOSA-N 0 3 313.401 3.384 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001328682523 1104020367 /nfs/dbraw/zinc/02/03/67/1104020367.db2.gz AAJBMXJVVPOLFN-WOJBJXKFSA-N 0 3 322.452 3.272 20 30 DGEDHN [O-]N=Cc1ccccc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245410591 1104035201 /nfs/dbraw/zinc/03/52/01/1104035201.db2.gz TZTKHRCJGLRLBO-UHFFFAOYSA-N 0 3 310.397 3.430 20 30 DGEDHN COc1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1CC#N ZINC001245422020 1104039906 /nfs/dbraw/zinc/03/99/06/1104039906.db2.gz BPQGXOGOIHFACK-GOSISDBHSA-N 0 3 312.413 3.029 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cscc1C(F)F ZINC001328738401 1104048869 /nfs/dbraw/zinc/04/88/69/1104048869.db2.gz UKVNGSORDWGDET-NSHDSACASA-N 0 3 314.401 3.408 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C2(CC(C)C)CCC2)C1 ZINC001328886652 1104094910 /nfs/dbraw/zinc/09/49/10/1104094910.db2.gz UDJCQKIMNATZLW-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC001202693685 1104121174 /nfs/dbraw/zinc/12/11/74/1104121174.db2.gz BWUXBRDOGUFWNY-UHFFFAOYSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001329012744 1104124471 /nfs/dbraw/zinc/12/44/71/1104124471.db2.gz GOTQTDOQUKFGSR-KBPBESRZSA-N 0 3 322.399 3.141 20 30 DGEDHN Cc1coc(C)c1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329029136 1104131438 /nfs/dbraw/zinc/13/14/38/1104131438.db2.gz ZTCMPRCOVJDHFO-JKSUJKDBSA-N 0 3 324.424 3.045 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@@H](C)[C@H](C)NC(=O)C#CC1CC1 ZINC001329031615 1104131472 /nfs/dbraw/zinc/13/14/72/1104131472.db2.gz CIGGXJFAJKXSGF-KBPBESRZSA-N 0 3 318.848 3.045 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202727336 1104143851 /nfs/dbraw/zinc/14/38/51/1104143851.db2.gz XZPRIUUYEILIAH-ZVMTXTNUSA-N 0 3 322.452 3.021 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001278414821 1104203861 /nfs/dbraw/zinc/20/38/61/1104203861.db2.gz DWCVAVJVWASKTB-QFBILLFUSA-N 0 3 312.457 3.101 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](CC)CCCC)C2 ZINC001110829655 1104312520 /nfs/dbraw/zinc/31/25/20/1104312520.db2.gz GYSOQOTXNYSXNJ-MLHJIOFPSA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccc(Cl)c1Cl ZINC001329599519 1104338253 /nfs/dbraw/zinc/33/82/53/1104338253.db2.gz DGBMVYIAUTWOBV-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](CCCC)CNCc1ccc(C#N)s1 ZINC001329875378 1104403613 /nfs/dbraw/zinc/40/36/13/1104403613.db2.gz KGSDGJUORNMMDA-UUSOHVMFSA-N 0 3 319.474 3.351 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2ccc(CC)cc2)C1 ZINC001329971917 1104442887 /nfs/dbraw/zinc/44/28/87/1104442887.db2.gz NYPCZVSPXACZPP-HNNXBMFYSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001330160451 1104491667 /nfs/dbraw/zinc/49/16/67/1104491667.db2.gz KSKLEKYUVVFQGI-HKUYNNGSSA-N 0 3 320.477 3.001 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001330202534 1104506335 /nfs/dbraw/zinc/50/63/35/1104506335.db2.gz JWTJOUPMBDIZEV-QGZVFWFLSA-N 0 3 312.457 3.063 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CCCF ZINC001274848462 1104519010 /nfs/dbraw/zinc/51/90/10/1104519010.db2.gz VQZUZXXNFHMGHP-KRWDZBQOSA-N 0 3 304.409 3.028 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001275004010 1104575561 /nfs/dbraw/zinc/57/55/61/1104575561.db2.gz JAGGQHFUJOJBAP-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001330607546 1104591543 /nfs/dbraw/zinc/59/15/43/1104591543.db2.gz ARHXDEZOLYIVSA-BQFCYCMXSA-N 0 3 318.848 3.384 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001330650967 1104605504 /nfs/dbraw/zinc/60/55/04/1104605504.db2.gz TVBUGMSREPLHFT-JCNLHEQBSA-N 0 3 320.864 3.083 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)CCc1ccccc1F ZINC001275093782 1104620807 /nfs/dbraw/zinc/62/08/07/1104620807.db2.gz IXJXAKDTAPDOGM-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN CCC[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001275098695 1104625811 /nfs/dbraw/zinc/62/58/11/1104625811.db2.gz IMJLWEUOQOKMHW-CABCVRRESA-N 0 3 320.864 3.222 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc(CC)cc1 ZINC001493000678 1104714081 /nfs/dbraw/zinc/71/40/81/1104714081.db2.gz NBDYMGCIOZGSJZ-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=CCCC(=O)N1CC[C@@](C)(CNCc2nc(C)c(C)s2)C1 ZINC001278470844 1104728153 /nfs/dbraw/zinc/72/81/53/1104728153.db2.gz ZKMYKNVMEJMDCF-KRWDZBQOSA-N 0 3 321.490 3.054 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001275472952 1104771290 /nfs/dbraw/zinc/77/12/90/1104771290.db2.gz YJATVPUCYGSLMM-HOTGVXAUSA-N 0 3 318.436 3.311 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC001275520827 1104789210 /nfs/dbraw/zinc/78/92/10/1104789210.db2.gz JMDXPWGRKLJTGR-OAHLLOKOSA-N 0 3 300.446 3.467 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001275606834 1104830849 /nfs/dbraw/zinc/83/08/49/1104830849.db2.gz HTRJWRNHHSRPAR-GFCCVEGCSA-N 0 3 302.418 3.271 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)C(C)(F)F ZINC001275717884 1104877905 /nfs/dbraw/zinc/87/79/05/1104877905.db2.gz OAVYXZPSXJMGFO-LLVKDONJSA-N 0 3 310.816 3.104 20 30 DGEDHN C=CCOc1ccc(CN2CC3(CCN3C3CCCC3)C2)cc1 ZINC001275959382 1104968607 /nfs/dbraw/zinc/96/86/07/1104968607.db2.gz CSLSDUIRAQTYSW-UHFFFAOYSA-N 0 3 312.457 3.454 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001275994749 1104982850 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CCc1cc(C#N)ccc1CN1CC[C@H](Oc2ccccn2)C1 ZINC001248752482 1105155167 /nfs/dbraw/zinc/15/51/67/1105155167.db2.gz NBSOHIPQKPNFPM-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC001248752537 1105155384 /nfs/dbraw/zinc/15/53/84/1105155384.db2.gz PHHCQUGTVOBPBO-LJQANCHMSA-N 0 3 307.397 3.169 20 30 DGEDHN C#C[C@H]1CCCN(Cc2[nH]nc3cc(C(F)(F)F)ccc32)C1 ZINC001248847491 1105178217 /nfs/dbraw/zinc/17/82/17/1105178217.db2.gz QXKJDLKGWFNVJC-NSHDSACASA-N 0 3 307.319 3.427 20 30 DGEDHN CCc1ccc(CN2CCC[C@@H](NC(=O)C#CC3CC3)[C@H]2C)cc1 ZINC001278510249 1105184798 /nfs/dbraw/zinc/18/47/98/1105184798.db2.gz KYDGLWYMFAVEGY-OXQOHEQNSA-N 0 3 324.468 3.132 20 30 DGEDHN CN(CCc1ccccc1F)Cc1cnn2ccc(C#N)cc12 ZINC001249119220 1105228514 /nfs/dbraw/zinc/22/85/14/1105228514.db2.gz RCZCSLZXAJXVNI-UHFFFAOYSA-N 0 3 308.360 3.020 20 30 DGEDHN CN(Cc1cnn2ccc(C#N)cc12)[C@H]1CCc2ccccc21 ZINC001249124460 1105229611 /nfs/dbraw/zinc/22/96/11/1105229611.db2.gz CPQNMZJLZZRWRL-SFHVURJKSA-N 0 3 302.381 3.325 20 30 DGEDHN N#Cc1cc(Cl)cc(NC2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001249559002 1105314286 /nfs/dbraw/zinc/31/42/86/1105314286.db2.gz DXZCYLLTLJEACB-QGZVFWFLSA-N 0 3 317.820 3.392 20 30 DGEDHN N#Cc1c(Cl)cccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249560700 1105316385 /nfs/dbraw/zinc/31/63/85/1105316385.db2.gz YJCVKOSRWIYSIR-AWEZNQCLSA-N 0 3 317.820 3.392 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC(C2CC2)C2CC2)[C@H]1C ZINC001278533680 1105374686 /nfs/dbraw/zinc/37/46/86/1105374686.db2.gz YBYUJYMVEQZLBN-KDOFPFPSSA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3ccccc31)C2 ZINC001097336675 1105380748 /nfs/dbraw/zinc/38/07/48/1105380748.db2.gz LZHNYBUIRRROQS-AFYVEPGGSA-N 0 3 324.468 3.404 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3ccccc31)C2 ZINC001097470802 1105396157 /nfs/dbraw/zinc/39/61/57/1105396157.db2.gz MOXLKOZRWPEKPV-ZMYBRWDISA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccs1)C2 ZINC001097832557 1105453387 /nfs/dbraw/zinc/45/33/87/1105453387.db2.gz SOAXJZSVHNREFQ-YJNKXOJESA-N 0 3 304.459 3.149 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001097901267 1105461490 /nfs/dbraw/zinc/46/14/90/1105461490.db2.gz BMARAWKCDDOARS-XWIAVFTESA-N 0 3 309.413 3.079 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3ccccc3C1)C2 ZINC001097929848 1105465314 /nfs/dbraw/zinc/46/53/14/1105465314.db2.gz WJWKKSSFPXWKCX-NMLBUPMWSA-N 0 3 324.468 3.089 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C2 ZINC001098013477 1105502402 /nfs/dbraw/zinc/50/24/02/1105502402.db2.gz OXOQMYRFMUCZBP-TYZHSBRISA-N 0 3 324.468 3.478 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C2 ZINC001098046076 1105536907 /nfs/dbraw/zinc/53/69/07/1105536907.db2.gz GPJNOMHVGHQAFJ-XLNTUCKNSA-N 0 3 324.468 3.097 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)C)oc1C)C2 ZINC001098133031 1105553719 /nfs/dbraw/zinc/55/37/19/1105553719.db2.gz 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CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCCCCCC2)C1 ZINC001098936811 1105614714 /nfs/dbraw/zinc/61/47/14/1105614714.db2.gz NUAYTGFZTBZLRQ-ICSRJNTNSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001098970701 1105620986 /nfs/dbraw/zinc/62/09/86/1105620986.db2.gz MEUPGAMROGIEIS-JXFKEZNVSA-N 0 3 323.440 3.247 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cnccc3c2)C1 ZINC001099105492 1105642241 /nfs/dbraw/zinc/64/22/41/1105642241.db2.gz JXBWLAGIERVMND-ICSRJNTNSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1CC(F)(F)C1 ZINC001099125718 1105645930 /nfs/dbraw/zinc/64/59/30/1105645930.db2.gz JRENHRAPUDATQE-AWEZNQCLSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC(F)(F)F ZINC001099148861 1105649658 /nfs/dbraw/zinc/64/96/58/1105649658.db2.gz JZZZLRHHRWVJSG-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001099178465 1105653664 /nfs/dbraw/zinc/65/36/64/1105653664.db2.gz CKBYSWWNQOTTCM-ZWOKBUDYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)C(F)(F)F ZINC001099209256 1105657191 /nfs/dbraw/zinc/65/71/91/1105657191.db2.gz YSEBYKWMUBFPTG-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCN(C)CCCNC(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC001251528017 1105667435 /nfs/dbraw/zinc/66/74/35/1105667435.db2.gz BYWCMIQAVLXUSK-UHFFFAOYSA-N 0 3 321.509 3.188 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cccc1 ZINC001099350287 1105671577 /nfs/dbraw/zinc/67/15/77/1105671577.db2.gz ZOKSULSNBSGKCG-QGZVFWFLSA-N 0 3 317.477 3.061 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCCN(C[C@@H](O)c2ccccc2)C1 ZINC001251991594 1105719888 /nfs/dbraw/zinc/71/98/88/1105719888.db2.gz XRGBRRXVFKGATM-RBUKOAKNSA-N 0 3 322.408 3.135 20 30 DGEDHN CC(C)(C)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001252004643 1105724340 /nfs/dbraw/zinc/72/43/40/1105724340.db2.gz LAHIPMPWSJXSNZ-UHFFFAOYSA-N 0 3 311.351 3.498 20 30 DGEDHN C[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001491047454 1105740616 /nfs/dbraw/zinc/74/06/16/1105740616.db2.gz IXUBWLPGIPXXEP-AFYVEPGGSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCCCCCC[C@H](O)CN[C@H](CO)c1cccc(OC)c1 ZINC001252132934 1105746803 /nfs/dbraw/zinc/74/68/03/1105746803.db2.gz FFSQSSALCJXCTJ-PKOBYXMFSA-N 0 3 323.477 3.430 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CC[C@@H](Oc2cnccn2)C1 ZINC001252133127 1105747039 /nfs/dbraw/zinc/74/70/39/1105747039.db2.gz MWZMHBPCXKXERU-DLBZAZTESA-N 0 3 321.465 3.041 20 30 DGEDHN CCCCCCCC[C@@H](O)CN[C@@H](CO)c1ccc(OC)cc1 ZINC001252135153 1105748036 /nfs/dbraw/zinc/74/80/36/1105748036.db2.gz YPNGSEOXWPXLNH-MJGOQNOKSA-N 0 3 323.477 3.430 20 30 DGEDHN CCCCCCCC[C@H](O)CNCc1ccc(C(=O)OC)cn1 ZINC001252138725 1105748929 /nfs/dbraw/zinc/74/89/29/1105748929.db2.gz CWDXXZOYBQTRCY-KRWDZBQOSA-N 0 3 322.449 3.069 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cc(C)cc(C)c1 ZINC001491227076 1105782438 /nfs/dbraw/zinc/78/24/38/1105782438.db2.gz 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C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)CC(C)C)C2 ZINC001111480555 1105904615 /nfs/dbraw/zinc/90/46/15/1105904615.db2.gz XSDSZQCDTFZWSB-TVFCKZIOSA-N 0 3 304.478 3.194 20 30 DGEDHN C=CCCCCCC[C@H](O)CN(CCO)Cc1cccs1 ZINC001253238376 1105907387 /nfs/dbraw/zinc/90/73/87/1105907387.db2.gz DHDQKOXYIJZHME-INIZCTEOSA-N 0 3 311.491 3.430 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC(c2noc(C)n2)CC1 ZINC001253240059 1105907651 /nfs/dbraw/zinc/90/76/51/1105907651.db2.gz YBMNVRPJOKTSCQ-KRWDZBQOSA-N 0 3 321.465 3.445 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](F)CCCCCC)C[C@]2(C)C1 ZINC001101430205 1105919425 /nfs/dbraw/zinc/91/94/25/1105919425.db2.gz UIASVJQPYZLFLE-AOIWGVFYSA-N 0 3 322.468 3.099 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCCCC)C[C@]2(C)C1 ZINC001101470468 1105919986 /nfs/dbraw/zinc/91/99/86/1105919986.db2.gz RPFBROTYUYCHEE-LMMKCTJWSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C[C@@H](O)CN1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001253586815 1105961749 /nfs/dbraw/zinc/96/17/49/1105961749.db2.gz RZDAEUJGZDSBHP-HXUWFJFHSA-N 0 3 308.425 3.023 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001101778103 1105976163 /nfs/dbraw/zinc/97/61/63/1105976163.db2.gz ZOLDEZGGWIWYQT-XRMRRZJCSA-N 0 3 324.468 3.079 20 30 DGEDHN CCCCCCCCC(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102527142 1106069172 /nfs/dbraw/zinc/06/91/72/1106069172.db2.gz IYKWJYYCSJSJQA-HZPDHXFCSA-N 0 3 300.462 3.391 20 30 DGEDHN CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001254487598 1106080165 /nfs/dbraw/zinc/08/01/65/1106080165.db2.gz AVOQTFVIEBUCLK-IRXDYDNUSA-N 0 3 306.450 3.298 20 30 DGEDHN CCC[C@H](CCc1ccccc1)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001254490417 1106080735 /nfs/dbraw/zinc/08/07/35/1106080735.db2.gz KWHVATDGIURBGL-UAGQMJEPSA-N 0 3 306.450 3.298 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C)C1 ZINC001102644476 1106086655 /nfs/dbraw/zinc/08/66/55/1106086655.db2.gz UPRKUSOHEJLSKP-GDBMZVCRSA-N 0 3 320.864 3.435 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cccs2)C1 ZINC001102646007 1106087600 /nfs/dbraw/zinc/08/76/00/1106087600.db2.gz QPYNMNRVWPSRHG-DGCLKSJQSA-N 0 3 312.866 3.188 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cccc(N3CCCCCC3=O)c2)C1 ZINC001254648338 1106121857 /nfs/dbraw/zinc/12/18/57/1106121857.db2.gz LETHWEVRYCCHKB-RDJZCZTQSA-N 0 3 311.429 3.375 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cncn2Cc2cccc(Cl)c2)C1 ZINC001254649930 1106122708 /nfs/dbraw/zinc/12/27/08/1106122708.db2.gz WMXAXRNDOKMJIL-BBRMVZONSA-N 0 3 314.820 3.367 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC001254654557 1106123302 /nfs/dbraw/zinc/12/33/02/1106123302.db2.gz VUOLFPCEVCMPBD-CZUORRHYSA-N 0 3 304.821 3.316 20 30 DGEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ncc1Br ZINC001254652389 1106123703 /nfs/dbraw/zinc/12/37/03/1106123703.db2.gz CVNBORIBXHQZES-SDDRHHMPSA-N 0 3 308.223 3.495 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2[C@H]2CC[C@@H](C#N)C2)C1 ZINC001254660104 1106126198 /nfs/dbraw/zinc/12/61/98/1106126198.db2.gz FVYSPOCLZHUGLB-VKJFTORMSA-N 0 3 319.449 3.154 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001254659960 1106126506 /nfs/dbraw/zinc/12/65/06/1106126506.db2.gz FKLZDUHHWHIPQI-QLFBSQMISA-N 0 3 307.438 3.010 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001254662205 1106127414 /nfs/dbraw/zinc/12/74/14/1106127414.db2.gz CXEAJIQOIYWVMB-ZFWWWQNUSA-N 0 3 324.453 3.298 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001254675759 1106131626 /nfs/dbraw/zinc/13/16/26/1106131626.db2.gz GNLYDEDQHAXVLD-HUUCEWRRSA-N 0 3 322.412 3.165 20 30 DGEDHN CC[C@H](CC#N)NCC1(Cc2ccc(F)cc2)CCOCC1 ZINC001255161964 1106195109 /nfs/dbraw/zinc/19/51/09/1106195109.db2.gz DGTVDXORNHMLLA-QGZVFWFLSA-N 0 3 304.409 3.447 20 30 DGEDHN CC[C@H](CC#N)N(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001255179090 1106200222 /nfs/dbraw/zinc/20/02/22/1106200222.db2.gz LYLRNAOPKNKOAA-RBSFLKMASA-N 0 3 309.454 3.446 20 30 DGEDHN CC[C@H](CC#N)N(CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255178522 1106200673 /nfs/dbraw/zinc/20/06/73/1106200673.db2.gz HLOPTZWGFCJVGJ-HUUCEWRRSA-N 0 3 309.454 3.258 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1CCC(C)(C)CC1 ZINC001255307855 1106219976 /nfs/dbraw/zinc/21/99/76/1106219976.db2.gz UHBJYLOFABMHGM-QGZVFWFLSA-N 0 3 317.477 3.491 20 30 DGEDHN CCOC(=O)[C@H]1CCC[C@H](N2CCc3cc(C#N)ccc3C2)C1 ZINC001255358817 1106231461 /nfs/dbraw/zinc/23/14/61/1106231461.db2.gz XORDPYDLDLDFGX-WMZOPIPTSA-N 0 3 312.413 3.038 20 30 DGEDHN Cc1ccc(C[C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC001255794828 1106318290 /nfs/dbraw/zinc/31/82/90/1106318290.db2.gz ZMABWZCUYGKCIF-KRWDZBQOSA-N 0 3 320.440 3.015 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H](C)CCC(C)C ZINC001256367416 1106411381 /nfs/dbraw/zinc/41/13/81/1106411381.db2.gz DZQHAEBWMPGZSM-NVXWUHKLSA-N 0 3 305.466 3.347 20 30 DGEDHN C[C@H](Cc1ccccn1)N1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001256421171 1106419420 /nfs/dbraw/zinc/41/94/20/1106419420.db2.gz IHITZXRCBUAPDT-VQIMIIECSA-N 0 3 321.424 3.428 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1occc1C)c1ccccc1CC ZINC001278970348 1106499566 /nfs/dbraw/zinc/49/95/66/1106499566.db2.gz ZULCTFHFSSUADD-SFHVURJKSA-N 0 3 324.424 3.234 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](CC)CCCC)CC1 ZINC001279063647 1106653625 /nfs/dbraw/zinc/65/36/25/1106653625.db2.gz HDCOPVXGCOYXHR-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC001316917780 1106763489 /nfs/dbraw/zinc/76/34/89/1106763489.db2.gz JHSNVIVDXFOPMN-RTBURBONSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001316940904 1106790953 /nfs/dbraw/zinc/79/09/53/1106790953.db2.gz UJRQCMLDHVZQAJ-MRXNPFEDSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001320072490 1106843758 /nfs/dbraw/zinc/84/37/58/1106843758.db2.gz JZJSYORLUZJVKZ-UHFFFAOYSA-N 0 3 306.425 3.070 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC001320087160 1106857202 /nfs/dbraw/zinc/85/72/02/1106857202.db2.gz VJGOPJFSFSAZEA-INIZCTEOSA-N 0 3 305.418 3.259 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001316987533 1106858935 /nfs/dbraw/zinc/85/89/35/1106858935.db2.gz CGXGIVGIMMJWRD-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN C#CCCCC(=O)NC[C@H](NCc1sccc1Cl)C1CC1 ZINC001317014814 1106903372 /nfs/dbraw/zinc/90/33/72/1106903372.db2.gz RZBHJLZNVODGKO-AWEZNQCLSA-N 0 3 324.877 3.189 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](OCC=C)C2)cc1OC ZINC001320208519 1106927531 /nfs/dbraw/zinc/92/75/31/1106927531.db2.gz JNOONNGAVQSHTJ-INIZCTEOSA-N 0 3 303.402 3.037 20 30 DGEDHN C=CCC[C@H](C)N1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001258730961 1106938580 /nfs/dbraw/zinc/93/85/80/1106938580.db2.gz RRZLMAMRANGFAT-AWEZNQCLSA-N 0 3 303.450 3.060 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001317042751 1106942055 /nfs/dbraw/zinc/94/20/55/1106942055.db2.gz JOHYQWVDACCAGE-CWRNSKLLSA-N 0 3 302.418 3.232 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317089583 1106987077 /nfs/dbraw/zinc/98/70/77/1106987077.db2.gz GBZLUEADVMEKDO-BHIYHBOVSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001317118129 1107011801 /nfs/dbraw/zinc/01/18/01/1107011801.db2.gz NXVPJPWCOLRYHT-OKILXGFUSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001317118990 1107013541 /nfs/dbraw/zinc/01/35/41/1107013541.db2.gz FHRYGGJRQAPSQY-DAYGRLMNSA-N 0 3 304.409 3.165 20 30 DGEDHN N#CC1(c2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc2)CC1 ZINC001320497896 1107028963 /nfs/dbraw/zinc/02/89/63/1107028963.db2.gz QDCLWMGASATYMC-MRXNPFEDSA-N 0 3 320.396 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1coc(C(F)F)c1 ZINC001320529903 1107043762 /nfs/dbraw/zinc/04/37/62/1107043762.db2.gz ODRKMKPXTFVVPD-SECBINFHSA-N 0 3 306.740 3.068 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001317140979 1107046443 /nfs/dbraw/zinc/04/64/43/1107046443.db2.gz PCJFIWXLJIJMFL-BPJPHKDRSA-N 0 3 324.468 3.250 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001317175972 1107091976 /nfs/dbraw/zinc/09/19/76/1107091976.db2.gz IRTYIGPVFKGPAL-CVEARBPZSA-N 0 3 304.434 3.005 20 30 DGEDHN C=CCCN(C)C(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001320750790 1107124466 /nfs/dbraw/zinc/12/44/66/1107124466.db2.gz RTEGMIRRXMEYAD-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C[C@@H](N[C@@H](C)CNC(=O)C#CC1CC1)c1ccc(F)c(Cl)c1 ZINC001317238477 1107164256 /nfs/dbraw/zinc/16/42/56/1107164256.db2.gz JMWIQSFWAXGWMH-NWDGAFQWSA-N 0 3 322.811 3.048 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC001320967579 1107206067 /nfs/dbraw/zinc/20/60/67/1107206067.db2.gz JQDDDLWCJWYHAA-GOSISDBHSA-N 0 3 300.402 3.146 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC001320967580 1107206654 /nfs/dbraw/zinc/20/66/54/1107206654.db2.gz JQDDDLWCJWYHAA-SFHVURJKSA-N 0 3 300.402 3.146 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001317340887 1107243815 /nfs/dbraw/zinc/24/38/15/1107243815.db2.gz NTSFLWQTBCHBTN-OEMOTLHWSA-N 0 3 319.276 3.346 20 30 DGEDHN Cc1n[nH]c(=O)c(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1C ZINC001321085870 1107244550 /nfs/dbraw/zinc/24/45/50/1107244550.db2.gz PSWOPQXKKCAWKO-GOSISDBHSA-N 0 3 322.412 3.228 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001321186366 1107278809 /nfs/dbraw/zinc/27/88/09/1107278809.db2.gz NLVAPWDXKUYBTC-VOTSOKGWSA-N 0 3 304.409 3.108 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1ccc(C)c(F)c1 ZINC001321231181 1107294942 /nfs/dbraw/zinc/29/49/42/1107294942.db2.gz HDLYEKPKJSIUTR-IHHMQQGQSA-N 0 3 318.436 3.498 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)NCc1ccc(F)cc1Cl ZINC001317390439 1107304531 /nfs/dbraw/zinc/30/45/31/1107304531.db2.gz URRUTSYHZXYDCG-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1coc(C(F)F)c1 ZINC001317404051 1107322812 /nfs/dbraw/zinc/32/28/12/1107322812.db2.gz KNWGBDZELSDPLI-SECBINFHSA-N 0 3 306.740 3.068 20 30 DGEDHN C=CCCC(=O)NCCN(C)Cc1ccc(C2CCC2)cc1 ZINC001317440765 1107379151 /nfs/dbraw/zinc/37/91/51/1107379151.db2.gz OQDPQSBBYKXFPD-UHFFFAOYSA-N 0 3 300.446 3.468 20 30 DGEDHN CCC(CC)(CC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001321695381 1107413754 /nfs/dbraw/zinc/41/37/54/1107413754.db2.gz CSROPCZFENZXTO-CYBMUJFWSA-N 0 3 321.490 3.430 20 30 DGEDHN Cc1cccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c1C ZINC001321731470 1107422458 /nfs/dbraw/zinc/42/24/58/1107422458.db2.gz FGWJGWBKKXCLLV-QGZVFWFLSA-N 0 3 320.436 3.063 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001321859299 1107450697 /nfs/dbraw/zinc/45/06/97/1107450697.db2.gz DSKIYVMTEYALDN-NSHDSACASA-N 0 3 300.855 3.352 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1coc2ccc(C)cc12 ZINC001317501787 1107463810 /nfs/dbraw/zinc/46/38/10/1107463810.db2.gz KXJBDOIUBJIKJZ-INIZCTEOSA-N 0 3 312.413 3.050 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1CCc1ccccc1F ZINC001317506427 1107465045 /nfs/dbraw/zinc/46/50/45/1107465045.db2.gz UFJYXTLQTBLLLA-MRXNPFEDSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001317508892 1107469480 /nfs/dbraw/zinc/46/94/80/1107469480.db2.gz GKZZCHUNAWZDOL-AEFFLSMTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2ccc(Cl)nc2)CC1 ZINC001321979434 1107477756 /nfs/dbraw/zinc/47/77/56/1107477756.db2.gz ZTJZRJOUFPVFFF-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001317534279 1107495941 /nfs/dbraw/zinc/49/59/41/1107495941.db2.gz QSMTYBPCMBCHLD-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN N#Cc1ccc(C2(NCc3cccn3C3CC3)CCOCC2)cc1 ZINC001261831260 1107538959 /nfs/dbraw/zinc/53/89/59/1107538959.db2.gz YEFHPBWGAKAJJL-UHFFFAOYSA-N 0 3 321.424 3.490 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001262007134 1107570813 /nfs/dbraw/zinc/57/08/13/1107570813.db2.gz UVGRULJGSRXCBE-KBPBESRZSA-N 0 3 313.228 3.473 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001322218856 1107573888 /nfs/dbraw/zinc/57/38/88/1107573888.db2.gz OPSJZTNPBDHBKO-SUMWQHHRSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc2cc[nH]c2c1 ZINC001322219859 1107574274 /nfs/dbraw/zinc/57/42/74/1107574274.db2.gz XVYGWASNQCRZLD-AWEZNQCLSA-N 0 3 313.445 3.317 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001322223205 1107576891 /nfs/dbraw/zinc/57/68/91/1107576891.db2.gz KEPMHPALGSJVLY-CABCVRRESA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001322231858 1107581562 /nfs/dbraw/zinc/58/15/62/1107581562.db2.gz XAGPDOOPONWCQP-QJPTWQEYSA-N 0 3 312.866 3.128 20 30 DGEDHN C#CCCCC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001317687095 1107604059 /nfs/dbraw/zinc/60/40/59/1107604059.db2.gz LOKNYBKNUDLKQH-UHFFFAOYSA-N 0 3 324.468 3.058 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001322307921 1107623256 /nfs/dbraw/zinc/62/32/56/1107623256.db2.gz SVYNKRJHEVPRPU-WMLDXEAASA-N 0 3 306.425 3.188 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC001317725265 1107624706 /nfs/dbraw/zinc/62/47/06/1107624706.db2.gz RFPKIXQSPBTFOG-IRXDYDNUSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@@H](C)n1cccc1)c1ccccc1 ZINC001317726705 1107624730 /nfs/dbraw/zinc/62/47/30/1107624730.db2.gz BAOPQPKQQSDHSC-AEFFLSMTSA-N 0 3 311.429 3.072 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC001317725263 1107625249 /nfs/dbraw/zinc/62/52/49/1107625249.db2.gz RFPKIXQSPBTFOG-DLBZAZTESA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC001317725264 1107625388 /nfs/dbraw/zinc/62/53/88/1107625388.db2.gz RFPKIXQSPBTFOG-IAGOWNOFSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CCc1ccccc1)c1ccccc1 ZINC001317727414 1107626265 /nfs/dbraw/zinc/62/62/65/1107626265.db2.gz RDRIMGRHZJVTPJ-HXUWFJFHSA-N 0 3 320.436 3.090 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001317770666 1107653940 /nfs/dbraw/zinc/65/39/40/1107653940.db2.gz UHBBOYKZAFZOKI-IAGOWNOFSA-N 0 3 316.445 3.109 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cc(CCC)on2)C1 ZINC001317770620 1107654578 /nfs/dbraw/zinc/65/45/78/1107654578.db2.gz TXCVJLGXKYHKPY-OAHLLOKOSA-N 0 3 319.449 3.130 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001317771326 1107656667 /nfs/dbraw/zinc/65/66/67/1107656667.db2.gz YUVALCHAHIDCIS-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001322841418 1107764810 /nfs/dbraw/zinc/76/48/10/1107764810.db2.gz JBLAWFIQMCBYBZ-UHFFFAOYSA-N 0 3 312.816 3.247 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001317973519 1107775763 /nfs/dbraw/zinc/77/57/63/1107775763.db2.gz ZKORGWIWHJGVRZ-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC(C)C)C1 ZINC001318214859 1107902028 /nfs/dbraw/zinc/90/20/28/1107902028.db2.gz AYEBSPQJRFJIEY-XIRDDKMYSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCC2 ZINC001318232984 1107909253 /nfs/dbraw/zinc/90/92/53/1107909253.db2.gz PTSCKTFCCGTEJU-IRXDYDNUSA-N 0 3 310.441 3.040 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001323276165 1107912904 /nfs/dbraw/zinc/91/29/04/1107912904.db2.gz DUJWPAIQXXSDRE-ZBFHGGJFSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001323323803 1107935290 /nfs/dbraw/zinc/93/52/90/1107935290.db2.gz KBPCZSQJCQCWJL-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001323334000 1107939521 /nfs/dbraw/zinc/93/95/21/1107939521.db2.gz GUVNHEDVSSKXGF-HUUCEWRRSA-N 0 3 304.434 3.391 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001323333427 1107940241 /nfs/dbraw/zinc/94/02/41/1107940241.db2.gz CFLDJMLTSWOVMM-ZFWWWQNUSA-N 0 3 317.433 3.101 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC001263124473 1107955082 /nfs/dbraw/zinc/95/50/82/1107955082.db2.gz LUDLATAABSYMEA-DEYYWGMASA-N 0 3 316.445 3.213 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC001263133921 1107957736 /nfs/dbraw/zinc/95/77/36/1107957736.db2.gz HPCOZHAUPCTKRY-FGTMMUONSA-N 0 3 324.509 3.482 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@H]2CCCc3ccc(F)cc32)CC1 ZINC001323404787 1107965270 /nfs/dbraw/zinc/96/52/70/1107965270.db2.gz CEJXVORNTSBMQT-KRWDZBQOSA-N 0 3 316.420 3.408 20 30 DGEDHN CCCCCCCN1CC[C@@H](N(C)C(=O)c2cncs2)C1 ZINC001318385939 1107973413 /nfs/dbraw/zinc/97/34/13/1107973413.db2.gz AOERAPOHIKONLS-CQSZACIVSA-N 0 3 309.479 3.260 20 30 DGEDHN CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@@H](N)CCCCC#N ZINC001263221765 1107979747 /nfs/dbraw/zinc/97/97/47/1107979747.db2.gz ZYKXJJNIBFXMNO-IRXDYDNUSA-N 0 3 313.445 3.192 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001318441814 1108005882 /nfs/dbraw/zinc/00/58/82/1108005882.db2.gz IOFKGCVOVZUZIP-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCCO1)c1nccn1Cc1ccccc1 ZINC001263332064 1108019829 /nfs/dbraw/zinc/01/98/29/1108019829.db2.gz GGWKLBGFTVFNOF-IAGOWNOFSA-N 0 3 323.396 3.067 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001318477773 1108039268 /nfs/dbraw/zinc/03/92/68/1108039268.db2.gz HWCRWAFYHWXFIV-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccccc2C)C1 ZINC001318492863 1108053714 /nfs/dbraw/zinc/05/37/14/1108053714.db2.gz UTNYMENQRBFMLO-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC(C)(C)C ZINC001323762093 1108077517 /nfs/dbraw/zinc/07/75/17/1108077517.db2.gz FYQYJQGCNMGBBY-OAGGEKHMSA-N 0 3 305.466 3.038 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC001263616634 1108112281 /nfs/dbraw/zinc/11/22/81/1108112281.db2.gz BJUDYAHCYWNXDH-UXIGCNINSA-N 0 3 307.344 3.295 20 30 DGEDHN CCC(=O)NC1(CNCC#Cc2ccccc2Cl)CCCC1 ZINC001318615353 1108126770 /nfs/dbraw/zinc/12/67/70/1108126770.db2.gz YJEZUAIOQHPZAV-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC(F)(F)C2)CCCC1 ZINC001318636979 1108133381 /nfs/dbraw/zinc/13/33/81/1108133381.db2.gz PGBMFFNESVTVGR-GFCCVEGCSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC001324022554 1108149486 /nfs/dbraw/zinc/14/94/86/1108149486.db2.gz RIRJAMFYJQUEQH-CMPLNLGQSA-N 0 3 314.223 3.309 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001318678955 1108150865 /nfs/dbraw/zinc/15/08/65/1108150865.db2.gz ZYJIBZBGNDSBNH-YWUCYRDRSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@](C)(CNCc1cncs1)C1CC1 ZINC001318697809 1108158633 /nfs/dbraw/zinc/15/86/33/1108158633.db2.gz BUJGKRSJZRFWLN-QGZVFWFLSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@H]1C ZINC001324052255 1108160638 /nfs/dbraw/zinc/16/06/38/1108160638.db2.gz PVZWJWMVRHOOEM-RGXVFGMQSA-N 0 3 305.249 3.241 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)CC1CC(C)(C)C1)C1CC1 ZINC001318711451 1108162484 /nfs/dbraw/zinc/16/24/84/1108162484.db2.gz OCAQWPMHBNPHAQ-KRWDZBQOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)Cc2ccc(C)o2)C1 ZINC001318787372 1108196820 /nfs/dbraw/zinc/19/68/20/1108196820.db2.gz FGTGURUAKBPNLP-OAHLLOKOSA-N 0 3 324.852 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CC(C)(F)F)C1 ZINC001318831436 1108210277 /nfs/dbraw/zinc/21/02/77/1108210277.db2.gz QVSBPHDZMOTYDQ-LBPRGKRZSA-N 0 3 308.800 3.003 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1ccc(F)cc1F ZINC001324219550 1108211359 /nfs/dbraw/zinc/21/13/59/1108211359.db2.gz FCMXNQKPPMJNPL-INIZCTEOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001263807914 1108212348 /nfs/dbraw/zinc/21/23/48/1108212348.db2.gz SXWFQZMMUJELSW-OAHLLOKOSA-N 0 3 303.450 3.080 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1 ZINC001263808310 1108215605 /nfs/dbraw/zinc/21/56/05/1108215605.db2.gz ZTURWBCLHLOKAV-IEBWSBKVSA-N 0 3 312.457 3.474 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001263816532 1108224167 /nfs/dbraw/zinc/22/41/67/1108224167.db2.gz DJPLTEJXEDXFNC-ZIAGYGMSSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1sc(C)cc1C ZINC001263819558 1108230750 /nfs/dbraw/zinc/23/07/50/1108230750.db2.gz WXTWWLTWOYYJCS-HNNXBMFYSA-N 0 3 306.475 3.016 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(C)CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001324301539 1108242262 /nfs/dbraw/zinc/24/22/62/1108242262.db2.gz MMPLJOANJYNRFS-ZIAGYGMSSA-N 0 3 317.408 3.017 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001318968436 1108258196 /nfs/dbraw/zinc/25/81/96/1108258196.db2.gz DCRAMXJGTWMMSN-MPGHIAIKSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CCc2ccccc2)cc1 ZINC001319006135 1108273722 /nfs/dbraw/zinc/27/37/22/1108273722.db2.gz JOERZWCCAVVMAW-UHFFFAOYSA-N 0 3 320.436 3.049 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001263871887 1108274136 /nfs/dbraw/zinc/27/41/36/1108274136.db2.gz QZCPEQSAMFGDEI-SAZUREKKSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001263874145 1108277643 /nfs/dbraw/zinc/27/76/43/1108277643.db2.gz SIWTXBLYIIBOIX-BFYDXBDKSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001263880373 1108281548 /nfs/dbraw/zinc/28/15/48/1108281548.db2.gz MAADCNPZEAILIO-ZOBUZTSGSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCC1(C(=O)N[C@H](CNCCF)C2CCCC2)CCCC1 ZINC001324517156 1108326776 /nfs/dbraw/zinc/32/67/76/1108326776.db2.gz DRFVSEVJHQJION-MRXNPFEDSA-N 0 3 310.457 3.357 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)CC(C)C)C2 ZINC001324557108 1108340069 /nfs/dbraw/zinc/34/00/69/1108340069.db2.gz OFYLEVJTSRDBEV-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001324591540 1108362196 /nfs/dbraw/zinc/36/21/96/1108362196.db2.gz ZUPABHICIOAHIU-IEBWSBKVSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001324655473 1108405753 /nfs/dbraw/zinc/40/57/53/1108405753.db2.gz DYGFEJZKIDBTOC-VQIMIIECSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(CC=C)CCCC1)CC2 ZINC001319413237 1108451119 /nfs/dbraw/zinc/45/11/19/1108451119.db2.gz XMCNBZPDKFFUID-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001319429527 1108461940 /nfs/dbraw/zinc/46/19/40/1108461940.db2.gz IMERGZZCQRXWEK-QWHCGFSZSA-N 0 3 310.388 3.429 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001319449457 1108472891 /nfs/dbraw/zinc/47/28/91/1108472891.db2.gz YHSQIKDEMTYVAI-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001319449458 1108472988 /nfs/dbraw/zinc/47/29/88/1108472988.db2.gz YHSQIKDEMTYVAI-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001264372380 1108484363 /nfs/dbraw/zinc/48/43/63/1108484363.db2.gz DONDFYXFHOKQTI-WMZOPIPTSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001264374517 1108486839 /nfs/dbraw/zinc/48/68/39/1108486839.db2.gz IVVLCXYMTFRTPO-QRVBRYPASA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001324887404 1108494502 /nfs/dbraw/zinc/49/45/02/1108494502.db2.gz WROZLHMNNYRFNB-INIZCTEOSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319510485 1108499944 /nfs/dbraw/zinc/49/99/44/1108499944.db2.gz KLFJAMUPTQEDFT-QGZVFWFLSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001319512486 1108501951 /nfs/dbraw/zinc/50/19/51/1108501951.db2.gz VEPTZICUWWETOX-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCCc2ccccc2)C1 ZINC001264401499 1108509749 /nfs/dbraw/zinc/50/97/49/1108509749.db2.gz CSPWWYFJMOOLCD-CALCHBBNSA-N 0 3 320.864 3.246 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2cccs2)C1 ZINC001324960762 1108537194 /nfs/dbraw/zinc/53/71/94/1108537194.db2.gz JVYUYXVJDSVVJH-RHSMWYFYSA-N 0 3 306.475 3.256 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001324979914 1108548637 /nfs/dbraw/zinc/54/86/37/1108548637.db2.gz ZFHXGVXUADJNFD-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN CC(C)C[C@H](CNCc1ccc(C#N)s1)NC(=O)C(C)(C)C ZINC001319636415 1108567844 /nfs/dbraw/zinc/56/78/44/1108567844.db2.gz RPKBBDDGZRUALT-CYBMUJFWSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC(C)(C)CC)C(C)(C)[C@H]21 ZINC001264586400 1108580334 /nfs/dbraw/zinc/58/03/34/1108580334.db2.gz PBRWQALOSJYAHH-PVAVHDDUSA-N 0 3 304.478 3.051 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)C)C(C)(C)[C@H]21 ZINC001264587052 1108582422 /nfs/dbraw/zinc/58/24/22/1108582422.db2.gz XFXUWPYWZDKJRO-NXHRZFHOSA-N 0 3 304.478 3.051 20 30 DGEDHN C[C@H](NC(=O)c1csc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC001325191467 1108590523 /nfs/dbraw/zinc/59/05/23/1108590523.db2.gz NYDAVBQUPYOBSA-BLLLJJGKSA-N 0 3 313.426 3.041 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)Cc2ccccc2)[C@H]1C ZINC001264721726 1108631548 /nfs/dbraw/zinc/63/15/48/1108631548.db2.gz RVUATIBQJMMPPC-QRQLOZEOSA-N 0 3 314.473 3.410 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1oc2ccccc2c1CC ZINC001265074818 1108720261 /nfs/dbraw/zinc/72/02/61/1108720261.db2.gz IRPWVBXQHQFJCB-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001265079595 1108723291 /nfs/dbraw/zinc/72/32/91/1108723291.db2.gz KRUPQVLFGSGHBO-UYAOXDASSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cccn1CC ZINC001265094967 1108730952 /nfs/dbraw/zinc/73/09/52/1108730952.db2.gz MNVFVFKYYJHRSO-HUUCEWRRSA-N 0 3 323.868 3.233 20 30 DGEDHN C=CCOCCN1CCC(N(C)C(=O)CC2(C)CCCC2)CC1 ZINC001265191852 1108766735 /nfs/dbraw/zinc/76/67/35/1108766735.db2.gz GGCAEZOLFOAASK-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001265296875 1108810726 /nfs/dbraw/zinc/81/07/26/1108810726.db2.gz FYHPOUPVQQEMTF-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001265301155 1108814098 /nfs/dbraw/zinc/81/40/98/1108814098.db2.gz FGBPPDOOGYKNAK-MJGOQNOKSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001265312730 1108822190 /nfs/dbraw/zinc/82/21/90/1108822190.db2.gz UMOMMHJHLYBTKS-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCOCCN1CCC(N(CCC)C(=O)C2=CCCC2)CC1 ZINC001265337466 1108832164 /nfs/dbraw/zinc/83/21/64/1108832164.db2.gz KWNJDTCQVCQJOY-UHFFFAOYSA-N 0 3 320.477 3.002 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCOCC1 ZINC001265401100 1108862642 /nfs/dbraw/zinc/86/26/42/1108862642.db2.gz KFFLQZATZPHQOC-HDICACEKSA-N 0 3 322.493 3.059 20 30 DGEDHN C=C[C@@H](C(=O)N1CCC[C@@H](CN(C)CCF)C1)c1ccccc1 ZINC001265399003 1108863279 /nfs/dbraw/zinc/86/32/79/1108863279.db2.gz NHHIOHRXGGLLAO-FUHWJXTLSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001265411550 1108866149 /nfs/dbraw/zinc/86/61/49/1108866149.db2.gz NPUGWCRWASCUSW-XDNAFOTISA-N 0 3 304.478 3.454 20 30 DGEDHN CC1(C)CC(CC(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001265554467 1108908534 /nfs/dbraw/zinc/90/85/34/1108908534.db2.gz SJAITOSRCIKWMM-KDURUIRLSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001265593346 1108926606 /nfs/dbraw/zinc/92/66/06/1108926606.db2.gz VBXZNOZEDLNXPE-ROUUACIJSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCCCCCN1CCCC[C@@H]1CNC(=O)C(=O)C(C)(C)C ZINC001265641270 1108944989 /nfs/dbraw/zinc/94/49/89/1108944989.db2.gz SSRYBVBXNPWZKN-MRXNPFEDSA-N 0 3 322.493 3.319 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001265651939 1108950701 /nfs/dbraw/zinc/95/07/01/1108950701.db2.gz PNIAKEIRQHEWST-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCC(NCc2ocnc2C)CC1 ZINC001265738833 1108986698 /nfs/dbraw/zinc/98/66/98/1108986698.db2.gz OQSNYUGZFWYKSS-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN CC[C@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[C@H](C)C#N ZINC001265815222 1109012416 /nfs/dbraw/zinc/01/24/16/1109012416.db2.gz SHASXIBNFZZACF-MLGOLLRUSA-N 0 3 323.387 3.014 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001265903343 1109038029 /nfs/dbraw/zinc/03/80/29/1109038029.db2.gz NOFJMXAEWVBNIC-INIZCTEOSA-N 0 3 324.424 3.173 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CNCc2oc(C(C)C)nc2C)C1 ZINC001265963583 1109052499 /nfs/dbraw/zinc/05/24/99/1109052499.db2.gz HTNUBFHVTQSXEE-HNNXBMFYSA-N 0 3 319.449 3.011 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2nc(C)c(C)s2)C1 ZINC001266013047 1109063804 /nfs/dbraw/zinc/06/38/04/1109063804.db2.gz QALKBJABFVYRPX-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCCC[C@H]1C1CC1)C1CC1 ZINC001266149937 1109108739 /nfs/dbraw/zinc/10/87/39/1109108739.db2.gz MFWRREABQAQBSD-OALUTQOASA-N 0 3 316.489 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1ccsc1)C1CC1 ZINC001266152744 1109109408 /nfs/dbraw/zinc/10/94/08/1109109408.db2.gz YVPOOBDXCDHQLP-UHFFFAOYSA-N 0 3 306.475 3.431 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CC[C@H](CC)CC1)C1CC1 ZINC001266168900 1109113057 /nfs/dbraw/zinc/11/30/57/1109113057.db2.gz JIIHALAAGIPNQC-QAQDUYKDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(C)c2c1CCC2)C1CC1 ZINC001266176711 1109116248 /nfs/dbraw/zinc/11/62/48/1109116248.db2.gz YOONLTKUKXKIRZ-UHFFFAOYSA-N 0 3 324.468 3.091 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2c1ccn2C ZINC001266178562 1109116833 /nfs/dbraw/zinc/11/68/33/1109116833.db2.gz IICUNYLAQXVEAX-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN C#CCC1(C(=O)NCC[C@H](C)NCC(=C)Cl)CCCCC1 ZINC001266192455 1109122077 /nfs/dbraw/zinc/12/20/77/1109122077.db2.gz WMPLZIMGKRECHI-HNNXBMFYSA-N 0 3 310.869 3.197 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001266214711 1109129412 /nfs/dbraw/zinc/12/94/12/1109129412.db2.gz FXAAJCFHVJYZTB-MOPGFXCFSA-N 0 3 312.457 3.378 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1Cc1cnc(C)o1 ZINC001266230154 1109133664 /nfs/dbraw/zinc/13/36/64/1109133664.db2.gz ZEJXXDUXMDOXPM-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1CC2(CC2)C1 ZINC001266235263 1109135764 /nfs/dbraw/zinc/13/57/64/1109135764.db2.gz SWXMPGIQODJITL-HNNXBMFYSA-N 0 3 310.869 3.290 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001279164636 1109140093 /nfs/dbraw/zinc/14/00/93/1109140093.db2.gz UHWZPGKGOPIXAJ-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC001279555070 1109154573 /nfs/dbraw/zinc/15/45/73/1109154573.db2.gz RXEPYIQTEBOTOC-GOSISDBHSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001280263979 1109182350 /nfs/dbraw/zinc/18/23/50/1109182350.db2.gz PUTHIEUUARJRKB-BPUTZDHNSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001316602692 1109184521 /nfs/dbraw/zinc/18/45/21/1109184521.db2.gz VHYMTEHNYLRLDV-OAHLLOKOSA-N 0 3 303.450 3.251 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc[nH]c2C(C)C)cc1 ZINC001280353936 1109189322 /nfs/dbraw/zinc/18/93/22/1109189322.db2.gz DZOKZPNRDMYVLR-HNNXBMFYSA-N 0 3 323.440 3.352 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)F ZINC001281064657 1109299655 /nfs/dbraw/zinc/29/96/55/1109299655.db2.gz YTKYMLOZIUVJDC-KRWDZBQOSA-N 0 3 318.436 3.244 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NCc1ccc2c(c1)CN(CCC)C2 ZINC001281284852 1109321734 /nfs/dbraw/zinc/32/17/34/1109321734.db2.gz LTOOPIYHAOHKSL-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](CCC)OC)cc2C1 ZINC001281297878 1109326480 /nfs/dbraw/zinc/32/64/80/1109326480.db2.gz FHJRBHICDNAYKZ-SFHVURJKSA-N 0 3 316.445 3.010 20 30 DGEDHN CCC(=CC(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1)CC ZINC001281391814 1109344599 /nfs/dbraw/zinc/34/45/99/1109344599.db2.gz VIXZYMWKOSQGMU-XLIONFOSSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001316611319 1109362691 /nfs/dbraw/zinc/36/26/91/1109362691.db2.gz ZDNDINKHYOAYLD-ROUUACIJSA-N 0 3 318.436 3.066 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001281678176 1109395186 /nfs/dbraw/zinc/39/51/86/1109395186.db2.gz ZUBGDLQIXHWFJA-MAUKXSAKSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)c(F)c1F ZINC001281749074 1109403879 /nfs/dbraw/zinc/40/38/79/1109403879.db2.gz NCKGOECMQAAFSL-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1c2ccccc2CCN1CCC1CC1 ZINC001281777482 1109407174 /nfs/dbraw/zinc/40/71/74/1109407174.db2.gz VHMZPMBHNVTDGP-HXUWFJFHSA-N 0 3 324.468 3.162 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CC1CCC1 ZINC001281776223 1109407313 /nfs/dbraw/zinc/40/73/13/1109407313.db2.gz JYYVCKDFIPNOPP-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1csc(C)c1 ZINC001281934074 1109417072 /nfs/dbraw/zinc/41/70/72/1109417072.db2.gz WGBJYLHRNQUKKA-QGZVFWFLSA-N 0 3 318.486 3.283 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001281951990 1109420452 /nfs/dbraw/zinc/42/04/52/1109420452.db2.gz JOHMCYBLLMGOEH-SNVBAGLBSA-N 0 3 316.232 3.044 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001281951988 1109420530 /nfs/dbraw/zinc/42/05/30/1109420530.db2.gz JOHMCYBLLMGOEH-JTQLQIEISA-N 0 3 316.232 3.044 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1OC ZINC001281956161 1109421886 /nfs/dbraw/zinc/42/18/86/1109421886.db2.gz BIVZQJMBXZSVGA-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCc1sccc1C ZINC001281970380 1109425247 /nfs/dbraw/zinc/42/52/47/1109425247.db2.gz VEFVKKNLVZBHIJ-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)nc2ccccc21 ZINC001281970666 1109426397 /nfs/dbraw/zinc/42/63/97/1109426397.db2.gz YAHSPLXBDXMLCE-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001282066778 1109441560 /nfs/dbraw/zinc/44/15/60/1109441560.db2.gz QOZGQLGNJQYTIP-HLIUYOAVSA-N 0 3 306.837 3.027 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@H](C)NCc1cc2ccccc2o1 ZINC001282129816 1109455383 /nfs/dbraw/zinc/45/53/83/1109455383.db2.gz VDFKNKJSHDUMNP-GJZGRUSLSA-N 0 3 312.413 3.075 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282168288 1109461361 /nfs/dbraw/zinc/46/13/61/1109461361.db2.gz QIGKSFWPSMHTJM-RBUKOAKNSA-N 0 3 324.468 3.105 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2cc(F)cc(F)c2)C1 ZINC001282185764 1109465396 /nfs/dbraw/zinc/46/53/96/1109465396.db2.gz QXBWUCGXSFRELD-OLZOCXBDSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@H](C)C1CC1 ZINC001282334768 1109486713 /nfs/dbraw/zinc/48/67/13/1109486713.db2.gz IFGCPSCNLLKKBI-LBPRGKRZSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)CCc1ccccc1F ZINC001282431864 1109507871 /nfs/dbraw/zinc/50/78/71/1109507871.db2.gz BWWLNKBCYWXDKY-OAHLLOKOSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2c(o1)c(F)ccc2C ZINC001282437190 1109509703 /nfs/dbraw/zinc/50/97/03/1109509703.db2.gz HOPPMPDKDOUZGE-LBPRGKRZSA-N 0 3 304.365 3.116 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)[C@H](C)c1cccc(OC)c1 ZINC001282444431 1109510467 /nfs/dbraw/zinc/51/04/67/1109510467.db2.gz QSEGFKOVSVYQHH-LSDHHAIUSA-N 0 3 318.461 3.405 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001282478563 1109521868 /nfs/dbraw/zinc/52/18/68/1109521868.db2.gz RCXFLQSQHXMPFA-WMZOPIPTSA-N 0 3 302.462 3.439 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CC1 ZINC001282643753 1109541750 /nfs/dbraw/zinc/54/17/50/1109541750.db2.gz RWKPJFHYMFBPTQ-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001282745383 1109562138 /nfs/dbraw/zinc/56/21/38/1109562138.db2.gz XVZZCCPYEZKIMV-HNAYVOBHSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CN(CCOCCC(C)C)CC1(C)C ZINC001282824916 1109572202 /nfs/dbraw/zinc/57/22/02/1109572202.db2.gz WDBHPKCWIZMGHV-INIZCTEOSA-N 0 3 324.509 3.088 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001282995622 1109586519 /nfs/dbraw/zinc/58/65/19/1109586519.db2.gz CJEVAPSGGBXWTI-BGYRXZFFSA-N 0 3 318.505 3.252 20 30 DGEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CCC1(C)CC1 ZINC001283925869 1109701708 /nfs/dbraw/zinc/70/17/08/1109701708.db2.gz UMCDBDCRRLPQSV-PKOBYXMFSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCCCCC)CCC[C@@H]12 ZINC001284069805 1109728643 /nfs/dbraw/zinc/72/86/43/1109728643.db2.gz HJTZTUSONFZGSR-MJGOQNOKSA-N 0 3 304.478 3.483 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCF)[C@@H]2C)CCCC1 ZINC001284147839 1109748429 /nfs/dbraw/zinc/74/84/29/1109748429.db2.gz AREYHAVADAGJIH-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001284592313 1109820856 /nfs/dbraw/zinc/82/08/56/1109820856.db2.gz YJQHXYSRHOPPNM-CQSZACIVSA-N 0 3 323.506 3.366 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001284718873 1109848899 /nfs/dbraw/zinc/84/88/99/1109848899.db2.gz HLPPEKRHTYMRSB-LBPRGKRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](C)CCCCCC)CC1 ZINC001284725765 1109850704 /nfs/dbraw/zinc/85/07/04/1109850704.db2.gz FTEDIUFUJQFJQZ-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001284725923 1109850869 /nfs/dbraw/zinc/85/08/69/1109850869.db2.gz MMELKASIXUVYBG-WMZOPIPTSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001284819130 1109867018 /nfs/dbraw/zinc/86/70/18/1109867018.db2.gz SWYSULUOZXOBJU-IGEOTXOUSA-N 0 3 320.864 3.197 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)CCCc3ccccc3)CC2)CC1 ZINC001284846109 1109871220 /nfs/dbraw/zinc/87/12/20/1109871220.db2.gz JXTYBYVNCHYZMI-UHFFFAOYSA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCCCC(=O)NC1(C2CCN(C[C@H](F)CC)CC2)CC1 ZINC001284846879 1109871504 /nfs/dbraw/zinc/87/15/04/1109871504.db2.gz VQJHALAPQUNWEQ-MRXNPFEDSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@@H]2C=CCCC2)c(F)c1 ZINC001285005282 1109890918 /nfs/dbraw/zinc/89/09/18/1109890918.db2.gz UVNKUNZWCDVAAR-OAHLLOKOSA-N 0 3 316.420 3.464 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)CC(C)=C(C)C)c(F)c1 ZINC001285005621 1109890950 /nfs/dbraw/zinc/89/09/50/1109890950.db2.gz ZNNMTRGEOGFGIK-UHFFFAOYSA-N 0 3 304.409 3.464 20 30 DGEDHN C#CCN(C(=O)[C@H](CC)C1CCC(C)CC1)C1CCN(C)CC1 ZINC001289195287 1110207184 /nfs/dbraw/zinc/20/71/84/1110207184.db2.gz IAIOXDKRJRSLBT-FAFZWHIHSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCC(C)(C)Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001301139674 1111083373 /nfs/dbraw/zinc/08/33/73/1111083373.db2.gz SCVIXWJNYOILAX-LSDHHAIUSA-N 0 3 319.497 3.108 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001301881419 1111102630 /nfs/dbraw/zinc/10/26/30/1111102630.db2.gz MMRPJKLHCOHMJL-NVXWUHKLSA-N 0 3 300.446 3.225 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C#CC(C)(C)C ZINC001316683050 1111108468 /nfs/dbraw/zinc/10/84/68/1111108468.db2.gz ZVEKJMRYLFCFTN-GOEBONIOSA-N 0 3 324.896 3.395 20 30 DGEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)[C@H]1CCCc2ccccc21 ZINC001304066546 1111164515 /nfs/dbraw/zinc/16/45/15/1111164515.db2.gz LLOAWMIWHCNAQK-QKLQHJQFSA-N 0 3 324.468 3.399 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1CC ZINC001316739385 1111224410 /nfs/dbraw/zinc/22/44/10/1111224410.db2.gz SXTQCZWNWLLVKA-DLBZAZTESA-N 0 3 322.493 3.127 20 30 DGEDHN C#CCOCCN(Cc1ccccc1)Cc1ccc(OC)cc1 ZINC001307536850 1111312671 /nfs/dbraw/zinc/31/26/71/1111312671.db2.gz DSJIEOJPRZVECI-UHFFFAOYSA-N 0 3 309.409 3.347 20 30 DGEDHN CC(C)C[C@H](C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001307673988 1111326005 /nfs/dbraw/zinc/32/60/05/1111326005.db2.gz CAIJMOIOIWTPMQ-YJBOKZPZSA-N 0 3 303.425 3.443 20 30 DGEDHN Cc1cncc([C@@H]2CCCN2C[C@H](O)c2cccc(C#N)c2)c1 ZINC001308018157 1111367648 /nfs/dbraw/zinc/36/76/48/1111367648.db2.gz AYQQCVYAJKOLFL-OALUTQOASA-N 0 3 307.397 3.132 20 30 DGEDHN CCc1cc(OC)ccc1CNCc1ccc(OCC#N)cc1 ZINC001308258303 1111406018 /nfs/dbraw/zinc/40/60/18/1111406018.db2.gz YWCIWFXWQGLVHD-UHFFFAOYSA-N 0 3 310.397 3.450 20 30 DGEDHN CCOc1cccc(F)c1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC001308498463 1111434690 /nfs/dbraw/zinc/43/46/90/1111434690.db2.gz XOGYQFFTPLETIP-MRXNPFEDSA-N 0 3 310.372 3.353 20 30 DGEDHN C#C[C@H]1CCCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001308839760 1111482559 /nfs/dbraw/zinc/48/25/59/1111482559.db2.gz GDMGZLPBLVGWFX-HNNXBMFYSA-N 0 3 308.466 3.367 20 30 DGEDHN COc1cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)ccc1C#N ZINC001308938129 1111496226 /nfs/dbraw/zinc/49/62/26/1111496226.db2.gz HUKDFIAIZACEPT-QUCCMNQESA-N 0 3 304.393 3.340 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(-c2cccs2)o1 ZINC001316863475 1111585909 /nfs/dbraw/zinc/58/59/09/1111585909.db2.gz DPOWNZUDWYNLIH-UHFFFAOYSA-N 0 3 316.426 3.083 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001316781951 1111737853 /nfs/dbraw/zinc/73/78/53/1111737853.db2.gz SONCUGHTHLATAF-QAPCUYQASA-N 0 3 316.420 3.039 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1Cc1csc(C)c1 ZINC001316729349 1111751638 /nfs/dbraw/zinc/75/16/38/1111751638.db2.gz CCMRIVURFPSACU-DLBZAZTESA-N 0 3 318.486 3.185 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]2C1 ZINC001316761408 1111760300 /nfs/dbraw/zinc/76/03/00/1111760300.db2.gz VIZRNXQGXZDCNW-SJORKVTESA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCc2cnoc2C)C1 ZINC001316774717 1111762667 /nfs/dbraw/zinc/76/26/67/1111762667.db2.gz MXSXJVMFQUJGRE-QGZVFWFLSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cc(C)ns1 ZINC001316872349 1111786627 /nfs/dbraw/zinc/78/66/27/1111786627.db2.gz JXRJNZUXOJQLOF-ZBFHGGJFSA-N 0 3 321.490 3.277 20 30 DGEDHN CC(C)(C)[C@H]1CSCCN1CCOc1ccccc1C#N ZINC001620533827 1193777292 /nfs/dbraw/zinc/77/72/92/1193777292.db2.gz AVGVDIGLWDTQRT-MRXNPFEDSA-N 0 3 304.459 3.401 20 30 DGEDHN C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(C#N)c(F)c1 ZINC000278459367 214167084 /nfs/dbraw/zinc/16/70/84/214167084.db2.gz MKVUNUXKVRKUMV-SECBINFHSA-N 0 3 322.277 3.265 20 30 DGEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000309756397 231105415 /nfs/dbraw/zinc/10/54/15/231105415.db2.gz XCHMKHDOCCKAFT-QGZVFWFLSA-N 0 3 306.413 3.257 20 30 DGEDHN C[C@H]1[C@H](NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000310218836 231113827 /nfs/dbraw/zinc/11/38/27/231113827.db2.gz WMPAWQDNYBZCMD-MGPUTAFESA-N 0 3 323.415 3.450 20 30 DGEDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)N(CC)CCC#N ZINC000345868340 529428153 /nfs/dbraw/zinc/42/81/53/529428153.db2.gz NUMBINKNQPMYKK-GOSISDBHSA-N 0 3 315.461 3.092 20 30 DGEDHN CC[C@@](C)(CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331359711 529499992 /nfs/dbraw/zinc/49/99/92/529499992.db2.gz WVOYOIHYLOMAAI-SFHVURJKSA-N 0 3 304.434 3.138 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cccs1 ZINC000347652999 529663905 /nfs/dbraw/zinc/66/39/05/529663905.db2.gz QOSWNPDBHYTRBY-DVOMOZLQSA-N 0 3 307.463 3.232 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000341214191 529664141 /nfs/dbraw/zinc/66/41/41/529664141.db2.gz BUHRQEUDGYRQQF-HFTRVMKXSA-N 0 3 301.434 3.170 20 30 DGEDHN CCc1ccc([C@@H](COC)NCCCC2(C#N)CCOCC2)o1 ZINC000281443109 529711316 /nfs/dbraw/zinc/71/13/16/529711316.db2.gz UECIOEVZAVVRIQ-MRXNPFEDSA-N 0 3 320.433 3.220 20 30 DGEDHN CCc1nc(C)c(NC(=O)N[C@@H](C)CN2CCCCC2)s1 ZINC000331192700 529726239 /nfs/dbraw/zinc/72/62/39/529726239.db2.gz MAAYGMUZKMTEOC-NSHDSACASA-N 0 3 310.467 3.214 20 30 DGEDHN CCNC(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181506551 199307879 /nfs/dbraw/zinc/30/78/79/199307879.db2.gz BMKUJJKSDCDKMB-CQSZACIVSA-N 0 3 307.397 3.159 20 30 DGEDHN CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000181506370 199308091 /nfs/dbraw/zinc/30/80/91/199308091.db2.gz WKIYZODXBQVGDF-AWEZNQCLSA-N 0 3 307.397 3.159 20 30 DGEDHN Cc1nsc(NCC2CCN(c3ccncc3)CC2)c1C#N ZINC000286633486 219094320 /nfs/dbraw/zinc/09/43/20/219094320.db2.gz WUOAAMPNBDUBLB-UHFFFAOYSA-N 0 3 313.430 3.047 20 30 DGEDHN C[C@H](NCc1ccccc1OCCN(C)C)c1cccc(C#N)c1 ZINC000181627241 199329566 /nfs/dbraw/zinc/32/95/66/199329566.db2.gz ZURAWZKMFKRIAJ-INIZCTEOSA-N 0 3 323.440 3.349 20 30 DGEDHN C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181659858 199334295 /nfs/dbraw/zinc/33/42/95/199334295.db2.gz RPUAZVFOWLWJNE-CYBMUJFWSA-N 0 3 303.406 3.076 20 30 DGEDHN CN(CCCCC(C)(C)C#N)CC(=O)NCc1cccs1 ZINC000444649141 529881175 /nfs/dbraw/zinc/88/11/75/529881175.db2.gz LJBWRZQOTSLVIR-UHFFFAOYSA-N 0 3 307.463 3.016 20 30 DGEDHN CN(CCN(C)C1CC1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000302228521 529903205 /nfs/dbraw/zinc/90/32/05/529903205.db2.gz ATNJAVWFMCZIEY-UHFFFAOYSA-N 0 3 314.820 3.290 20 30 DGEDHN CN(CCOCCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000339196847 529922992 /nfs/dbraw/zinc/92/29/92/529922992.db2.gz BVCPAECLPPPUIM-SJORKVTESA-N 0 3 302.418 3.095 20 30 DGEDHN COc1ccc([C@@H](CNc2cc(C#N)ccn2)N2CCCC2)cc1 ZINC000286720906 219128620 /nfs/dbraw/zinc/12/86/20/219128620.db2.gz DAIPUIWYKQFZMI-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(C#N)cc1 ZINC000109014998 185547002 /nfs/dbraw/zinc/54/70/02/185547002.db2.gz BZEIEROZEAOGJU-LBPRGKRZSA-N 0 3 324.409 3.171 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000106036299 432019747 /nfs/dbraw/zinc/01/97/47/432019747.db2.gz ZMUOPWZREICVHP-UHFFFAOYSA-N 0 3 300.446 3.166 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2cccs2)CC1 ZINC000106275184 432020612 /nfs/dbraw/zinc/02/06/12/432020612.db2.gz UISJJRYTUQILLP-CQSZACIVSA-N 0 3 321.490 3.491 20 30 DGEDHN COc1ccccc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000067007863 432025723 /nfs/dbraw/zinc/02/57/23/432025723.db2.gz JQAFHJZMNQXMFA-LLVKDONJSA-N 0 3 318.423 3.429 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000067140875 432026989 /nfs/dbraw/zinc/02/69/89/432026989.db2.gz BOFSHPMRMBBTAY-UHFFFAOYSA-N 0 3 324.396 3.285 20 30 DGEDHN CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000172357644 198084165 /nfs/dbraw/zinc/08/41/65/198084165.db2.gz QKGKKBXRGDOBSV-QGZVFWFLSA-N 0 3 309.417 3.110 20 30 DGEDHN N#Cc1cccc(CNCCc2nc(C(F)(F)F)cs2)c1 ZINC000173845992 198259288 /nfs/dbraw/zinc/25/92/88/198259288.db2.gz LECDNRLRBLGAKM-UHFFFAOYSA-N 0 3 311.332 3.366 20 30 DGEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCOCC2)o1 ZINC000174301299 198317012 /nfs/dbraw/zinc/31/70/12/198317012.db2.gz RWAHKEBSBUYJCZ-UHFFFAOYSA-N 0 3 314.360 3.128 20 30 DGEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000277090491 213287723 /nfs/dbraw/zinc/28/77/23/213287723.db2.gz YXGBCCDGADEWFK-GJZGRUSLSA-N 0 3 323.234 3.368 20 30 DGEDHN COc1ccccc1OC[C@@H](C)CNCc1ccc(C#N)s1 ZINC000131381178 432036690 /nfs/dbraw/zinc/03/66/90/432036690.db2.gz QDYNSQHNCSYLFT-ZDUSSCGKSA-N 0 3 316.426 3.433 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000291946576 283149347 /nfs/dbraw/zinc/14/93/47/283149347.db2.gz QEEXIVHTDQCHRC-QZTJIDSGSA-N 0 3 319.408 3.032 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000268741813 283187100 /nfs/dbraw/zinc/18/71/00/283187100.db2.gz ZRJXODXIVAIXLV-OALUTQOASA-N 0 3 324.449 3.382 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000167444050 432065683 /nfs/dbraw/zinc/06/56/83/432065683.db2.gz KEGGWPXFJPINLZ-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN C[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CN1C1CC1 ZINC000133531924 432066722 /nfs/dbraw/zinc/06/67/22/432066722.db2.gz LLSPRBDRPMTOAN-KOLCDFICSA-N 0 3 310.323 3.009 20 30 DGEDHN COc1ccc(O)c(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000179679052 432067799 /nfs/dbraw/zinc/06/77/99/432067799.db2.gz OVBRYDKLJWLQIX-UHFFFAOYSA-N 0 3 308.381 3.437 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000133990250 432072596 /nfs/dbraw/zinc/07/25/96/432072596.db2.gz GLDCRVOIOLRLSQ-RBUKOAKNSA-N 0 3 319.408 3.423 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000180478322 199163644 /nfs/dbraw/zinc/16/36/44/199163644.db2.gz LWXKOFMMMLWJDA-HOTGVXAUSA-N 0 3 315.461 3.131 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000179962392 432076012 /nfs/dbraw/zinc/07/60/12/432076012.db2.gz NAHOQIYHODIGTD-HNAYVOBHSA-N 0 3 319.408 3.404 20 30 DGEDHN CCCCNC(=O)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666495 200142138 /nfs/dbraw/zinc/14/21/38/200142138.db2.gz XBVOGBDFOPQPNJ-MAUKXSAKSA-N 0 3 313.445 3.248 20 30 DGEDHN COCCCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187697851 200145869 /nfs/dbraw/zinc/14/58/69/200145869.db2.gz BWLFTSAUERTFBJ-OAHLLOKOSA-N 0 3 302.418 3.137 20 30 DGEDHN C=C(C)CN(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000180387035 432085416 /nfs/dbraw/zinc/08/54/16/432085416.db2.gz UHTNLAYWQQSGDI-UHFFFAOYSA-N 0 3 315.461 3.041 20 30 DGEDHN Cc1cc(C)cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428790942 238031455 /nfs/dbraw/zinc/03/14/55/238031455.db2.gz YRZAUXRWOHDHCU-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN C[C@@H](c1cccnc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311388 238154860 /nfs/dbraw/zinc/15/48/60/238154860.db2.gz LZBJHKDTNKYLGL-DOTOQJQBSA-N 0 3 307.397 3.374 20 30 DGEDHN C[C@H](c1ccncc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311018 238155033 /nfs/dbraw/zinc/15/50/33/238155033.db2.gz KPCGFJFVGMSKDL-CRAIPNDOSA-N 0 3 307.397 3.374 20 30 DGEDHN N#CCCn1cc(CNCc2ccsc2)c(-c2ccncc2)n1 ZINC000433315393 238155527 /nfs/dbraw/zinc/15/55/27/238155527.db2.gz YFZNVTITHSGAFK-UHFFFAOYSA-N 0 3 323.425 3.210 20 30 DGEDHN C[C@@H](CCc1cccn1C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433367561 238157289 /nfs/dbraw/zinc/15/72/89/238157289.db2.gz VTWVNNDPYAXVSS-WMZOPIPTSA-N 0 3 323.440 3.235 20 30 DGEDHN C[C@H](Cc1ccc(O)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378809 238158252 /nfs/dbraw/zinc/15/82/52/238158252.db2.gz WAKREHRNVBJZQL-QAPCUYQASA-N 0 3 322.408 3.212 20 30 DGEDHN C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271920719 209324220 /nfs/dbraw/zinc/32/42/20/209324220.db2.gz DTDCBISOGPBUPC-BZNIZROVSA-N 0 3 304.390 3.317 20 30 DGEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(F)F ZINC000449411597 240184257 /nfs/dbraw/zinc/18/42/57/240184257.db2.gz CABUXPQAROGKQV-ZDUSSCGKSA-N 0 3 307.388 3.156 20 30 DGEDHN COc1cc(CNC[C@@](C)(OC)c2ccccc2)ccc1C#N ZINC000449484959 240235549 /nfs/dbraw/zinc/23/55/49/240235549.db2.gz OLKWPMCCPXOVRN-LJQANCHMSA-N 0 3 310.397 3.218 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2ccncc2)cc1 ZINC000449518380 240263218 /nfs/dbraw/zinc/26/32/18/240263218.db2.gz JDMYAZIZHOPBBI-MOPGFXCFSA-N 0 3 310.397 3.094 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000449519881 240263298 /nfs/dbraw/zinc/26/32/98/240263298.db2.gz RDWZKPACGWAHAQ-AEFFLSMTSA-N 0 3 314.404 3.478 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000449523261 240264022 /nfs/dbraw/zinc/26/40/22/240264022.db2.gz WYMRQCFDSYDHIU-OLZOCXBDSA-N 0 3 319.298 3.200 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@@H]1n1cccn1 ZINC000449655153 240347528 /nfs/dbraw/zinc/34/75/28/240347528.db2.gz GJXCHUGATUGRFU-KSZLIROESA-N 0 3 324.428 3.042 20 30 DGEDHN N#Cc1csc(CN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000091902445 193125410 /nfs/dbraw/zinc/12/54/10/193125410.db2.gz SRBYCTVQQDGBTH-KRWDZBQOSA-N 0 3 312.438 3.453 20 30 DGEDHN N#Cc1csc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066953 193151936 /nfs/dbraw/zinc/15/19/36/193151936.db2.gz ZDHNVVUTPMWOBQ-RHSMWYFYSA-N 0 3 301.459 3.068 20 30 DGEDHN N#CCSCCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548423 241169655 /nfs/dbraw/zinc/16/96/55/241169655.db2.gz NAZQHSYREJTRPJ-HNNXBMFYSA-N 0 3 319.430 3.421 20 30 DGEDHN C[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000189993798 432110174 /nfs/dbraw/zinc/11/01/74/432110174.db2.gz RTANOTNOPNPNQS-QWHCGFSZSA-N 0 3 303.406 3.122 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 ZINC000181030983 432110920 /nfs/dbraw/zinc/11/09/20/432110920.db2.gz NWCNJLOYLIAWHB-OAHLLOKOSA-N 0 3 322.412 3.200 20 30 DGEDHN C=C(C)[C@H](NC[C@H](O)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000190009796 432112472 /nfs/dbraw/zinc/11/24/72/432112472.db2.gz SLNSGWYXEBYNMG-MFKMUULPSA-N 0 3 309.278 3.485 20 30 DGEDHN C=CCN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000275237664 212217537 /nfs/dbraw/zinc/21/75/37/212217537.db2.gz MOMBEUKYZNDXSE-UHFFFAOYSA-N 0 3 301.308 3.055 20 30 DGEDHN N#Cc1ccc([C@H](O)CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000268646808 432115293 /nfs/dbraw/zinc/11/52/93/432115293.db2.gz FRBJKFIEVBKZLO-OAHLLOKOSA-N 0 3 312.335 3.256 20 30 DGEDHN Cn1cccc1[C@@H]1CCCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268639152 432115438 /nfs/dbraw/zinc/11/54/38/432115438.db2.gz DFACWOORYTUGNO-RBUKOAKNSA-N 0 3 309.413 3.157 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268659282 432116146 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CCOC(=O)CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275074792 212106246 /nfs/dbraw/zinc/10/62/46/212106246.db2.gz WBXZEDLHXFYCMS-AWEZNQCLSA-N 0 3 300.402 3.284 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000472153414 244285371 /nfs/dbraw/zinc/28/53/71/244285371.db2.gz HVTGNUGLOLOBAQ-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000474325581 244387149 /nfs/dbraw/zinc/38/71/49/244387149.db2.gz FZBODCFVKPHGOR-MRXNPFEDSA-N 0 3 321.509 3.495 20 30 DGEDHN CN(C)CCOc1cccc(NCc2cc(C#N)cs2)c1 ZINC000093686492 193289764 /nfs/dbraw/zinc/28/97/64/193289764.db2.gz SLNPVGDEQMQEBK-UHFFFAOYSA-N 0 3 301.415 3.172 20 30 DGEDHN CN1CCC(CC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1 ZINC000487201455 245034074 /nfs/dbraw/zinc/03/40/74/245034074.db2.gz QSBCTBXBAJXUPC-UHFFFAOYSA-N 0 3 319.493 3.333 20 30 DGEDHN CC(C)[C@@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000265210237 204456356 /nfs/dbraw/zinc/45/63/56/204456356.db2.gz DDNSUPLZYSNLTH-FQEVSTJZSA-N 0 3 324.424 3.244 20 30 DGEDHN N#Cc1csc(CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000127329696 284335723 /nfs/dbraw/zinc/33/57/23/284335723.db2.gz FYBFUHYGJHOYRH-UHFFFAOYSA-N 0 3 311.454 3.328 20 30 DGEDHN COc1ccc(F)cc1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000271696194 209133626 /nfs/dbraw/zinc/13/36/26/209133626.db2.gz SKNMYEHWSWHJMO-YVEFUNNKSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@@H]1CCN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000288357976 220105919 /nfs/dbraw/zinc/10/59/19/220105919.db2.gz KNZRKCCFADVRDS-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN CC1(C)CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000246450403 432132352 /nfs/dbraw/zinc/13/23/52/432132352.db2.gz OSWIUVOQXDMUCG-GOSISDBHSA-N 0 3 310.445 3.026 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246448881 432132910 /nfs/dbraw/zinc/13/29/10/432132910.db2.gz VIPQKRJIKARTBV-RHSMWYFYSA-N 0 3 321.428 3.037 20 30 DGEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000181541330 432134130 /nfs/dbraw/zinc/13/41/30/432134130.db2.gz 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/nfs/dbraw/zinc/34/16/59/400341659.db2.gz VMWKGPSSDQXVOQ-BHYNMZESSA-N 0 3 316.298 3.194 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(C/C=C\c3ccccc3)C2)nc1 ZINC000590004533 400346766 /nfs/dbraw/zinc/34/67/66/400346766.db2.gz FAVLMDRZSDNKTF-NCRRVARUSA-N 0 3 305.381 3.120 20 30 DGEDHN CN1CCCC(C)(C)[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000596216476 400353190 /nfs/dbraw/zinc/35/31/90/400353190.db2.gz KANYYEBVSNHASE-HNNXBMFYSA-N 0 3 309.417 3.034 20 30 DGEDHN Cc1ccc(C#N)c(N2CCCN(Cc3ccccc3C)CC2)n1 ZINC000611226986 400361796 /nfs/dbraw/zinc/36/17/96/400361796.db2.gz GHGCFDZRKHMRGK-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)[C@H](C)CN1Cc1ccccc1 ZINC000611236097 400362659 /nfs/dbraw/zinc/36/26/59/400362659.db2.gz YOIMFJLVZCPMOL-IAGOWNOFSA-N 0 3 320.440 3.048 20 30 DGEDHN CCOC(=O)CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000611275122 400372395 /nfs/dbraw/zinc/37/23/95/400372395.db2.gz GKWVBWLAEAEJMB-UHFFFAOYSA-N 0 3 306.431 3.175 20 30 DGEDHN COc1ccc2c(c1)C[C@H](N[C@H](C)c1cccc(C#N)c1)CO2 ZINC000590778029 400433095 /nfs/dbraw/zinc/43/30/95/400433095.db2.gz SWAHYCALFNXZIZ-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C1CC1)C(C)C ZINC000590855463 400449082 /nfs/dbraw/zinc/44/90/82/400449082.db2.gz YIBDVYFVXOKPQX-ROUUACIJSA-N 0 3 319.493 3.269 20 30 DGEDHN C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000073455045 400450983 /nfs/dbraw/zinc/45/09/83/400450983.db2.gz ABXAOKAHVDGACL-XJKSGUPXSA-N 0 3 319.836 3.285 20 30 DGEDHN C[C@H](CCN1CCC[C@](C)(C#N)C1)N1CCC[C@@](C)(C#N)C1 ZINC000612162359 400501635 /nfs/dbraw/zinc/50/16/35/400501635.db2.gz JQPDWQMQAMKDJX-KURKYZTESA-N 0 3 302.466 3.016 20 30 DGEDHN CCCCn1cc(CN[C@H](C)CC2(C#N)CCOCC2)c(C)n1 ZINC000602580259 400502913 /nfs/dbraw/zinc/50/29/13/400502913.db2.gz CUOPRVJIXAXUPP-OAHLLOKOSA-N 0 3 318.465 3.180 20 30 DGEDHN CCCCn1cc(CN[C@@H](C)CC2(C#N)CCOCC2)c(C)n1 ZINC000602580253 400502963 /nfs/dbraw/zinc/50/29/63/400502963.db2.gz CUOPRVJIXAXUPP-HNNXBMFYSA-N 0 3 318.465 3.180 20 30 DGEDHN COc1ccc2c(c1)CC[C@@H](NCc1ccc(C#N)cc1F)C2 ZINC000612194056 400506581 /nfs/dbraw/zinc/50/65/81/400506581.db2.gz RMYMDIABKNABKG-QGZVFWFLSA-N 0 3 310.372 3.353 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000590973321 400472427 /nfs/dbraw/zinc/47/24/27/400472427.db2.gz HPLSTDJAVMCMMZ-AWEZNQCLSA-N 0 3 302.418 3.276 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC)c1ccc(OC)cc1 ZINC000124154871 400474734 /nfs/dbraw/zinc/47/47/34/400474734.db2.gz YHYZEKRPNJJOGD-KRWDZBQOSA-N 0 3 304.434 3.161 20 30 DGEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000602614540 400511950 /nfs/dbraw/zinc/51/19/50/400511950.db2.gz SOXKWDNLMHQBRX-MAUKXSAKSA-N 0 3 311.360 3.102 20 30 DGEDHN N#Cc1cccc(CNc2cccc(CN3CCSCC3)c2)n1 ZINC000602492590 400479237 /nfs/dbraw/zinc/47/92/37/400479237.db2.gz VVFLWNYWAHJTPP-UHFFFAOYSA-N 0 3 324.453 3.114 20 30 DGEDHN CCOCc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602507601 400482558 /nfs/dbraw/zinc/48/25/58/400482558.db2.gz FUKZDOCMIUJLFD-INIZCTEOSA-N 0 3 316.445 3.412 20 30 DGEDHN Cc1ccccc1OCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602517472 400486046 /nfs/dbraw/zinc/48/60/46/400486046.db2.gz CIRJQPHZNVBZJP-MRXNPFEDSA-N 0 3 302.418 3.062 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1cccc(Cl)c1 ZINC000602519640 400487424 /nfs/dbraw/zinc/48/74/24/400487424.db2.gz CLNAFRWIWMARGT-CQSZACIVSA-N 0 3 322.836 3.407 20 30 DGEDHN COCc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccc1F ZINC000602536727 400491085 /nfs/dbraw/zinc/49/10/85/400491085.db2.gz LAZZGNFGTUUUEY-AWEZNQCLSA-N 0 3 320.408 3.161 20 30 DGEDHN C[C@@H](CCC#N)CN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000602618572 400513222 /nfs/dbraw/zinc/51/32/22/400513222.db2.gz ZPORSAISJGDDJY-SUMWQHHRSA-N 0 3 300.381 3.178 20 30 DGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CC2(CC#N)CC2)CC1 ZINC000602784226 400571979 /nfs/dbraw/zinc/57/19/79/400571979.db2.gz OCTJZQXLHWYGOO-GOSISDBHSA-N 0 3 317.477 3.183 20 30 DGEDHN N#CC[C@H]1CCCN(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000597173868 400576658 /nfs/dbraw/zinc/57/66/58/400576658.db2.gz MHPDGKRKDANGRK-OAHLLOKOSA-N 0 3 308.385 3.395 20 30 DGEDHN Cc1ccccc1[C@H]([C@@H](C)NCc1cccc(C#N)n1)N(C)C ZINC000602625139 400515320 /nfs/dbraw/zinc/51/53/20/400515320.db2.gz DPAGLMLGTVYUSK-BEFAXECRSA-N 0 3 308.429 3.043 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCOc2ccc(F)cc21 ZINC000602626910 400516214 /nfs/dbraw/zinc/51/62/14/400516214.db2.gz BBCJDYBWGVGERM-CJNGLKHVSA-N 0 3 318.392 3.338 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602650435 400524303 /nfs/dbraw/zinc/52/43/03/400524303.db2.gz LQYRKKWVOMSFRY-INIZCTEOSA-N 0 3 314.429 3.440 20 30 DGEDHN COC[C@H](NCc1ccc(C#N)cc1Br)C(C)C ZINC000612483484 400551501 /nfs/dbraw/zinc/55/15/01/400551501.db2.gz YUTXIGBFFQKOLM-AWEZNQCLSA-N 0 3 311.223 3.081 20 30 DGEDHN C=CCc1cc(CN2CCC(SC)CC2)cc(OC)c1O ZINC000602724262 400551925 /nfs/dbraw/zinc/55/19/25/400551925.db2.gz BHBBTENPMMRMIQ-UHFFFAOYSA-N 0 3 307.459 3.457 20 30 DGEDHN CN(CCCCC(C)(C)C#N)CC(=O)N(C)C1CCCCC1 ZINC000618275009 400557541 /nfs/dbraw/zinc/55/75/41/400557541.db2.gz JRBQFDGVWLNOSK-UHFFFAOYSA-N 0 3 307.482 3.429 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000046345433 400561432 /nfs/dbraw/zinc/56/14/32/400561432.db2.gz MLYZKVCRMTYGBB-WMLDXEAASA-N 0 3 309.837 3.453 20 30 DGEDHN N#Cc1ccc(S[C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000591827436 400563811 /nfs/dbraw/zinc/56/38/11/400563811.db2.gz DOHOBAWHEFDHOW-MRXNPFEDSA-N 0 3 310.426 3.105 20 30 DGEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CCCCCC#N ZINC000591860395 400566962 /nfs/dbraw/zinc/56/69/62/400566962.db2.gz OYYBPMATWZJDPQ-KRWDZBQOSA-N 0 3 313.445 3.370 20 30 DGEDHN C[C@@H](CN1CC[C@@](O)(CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000592152886 400615156 /nfs/dbraw/zinc/61/51/56/400615156.db2.gz GDMYSUCCVKBWKP-WFASDCNBSA-N 0 3 312.335 3.159 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000602990883 400623330 /nfs/dbraw/zinc/62/33/30/400623330.db2.gz ITQOSAZRMUVLLA-VKJFTORMSA-N 0 3 301.434 3.089 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@H]1Oc1ccccc1 ZINC000618609244 400641797 /nfs/dbraw/zinc/64/17/97/400641797.db2.gz ZTEVHKSZZCUGMB-QWXYKEQDSA-N 0 3 314.429 3.283 20 30 DGEDHN CC[C@H]1CN(C)CCCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000597606035 400651528 /nfs/dbraw/zinc/65/15/28/400651528.db2.gz TXTVOMQGRJJAGC-ROUUACIJSA-N 0 3 313.445 3.017 20 30 DGEDHN COCc1cc(C#N)ccc1NC[C@@H](c1ccccc1)N(C)C ZINC000603267501 400663200 /nfs/dbraw/zinc/66/32/00/400663200.db2.gz MKWWRFNYNYRBDY-IBGZPJMESA-N 0 3 309.413 3.419 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000050024389 400674781 /nfs/dbraw/zinc/67/47/81/400674781.db2.gz MVOUPUBLSSDTGV-INIZCTEOSA-N 0 3 320.436 3.362 20 30 DGEDHN CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCN(CC)C1 ZINC000598039433 400724149 /nfs/dbraw/zinc/72/41/49/400724149.db2.gz JWYBTRXSGVGZCX-ZWKOTPCHSA-N 0 3 313.445 3.017 20 30 DGEDHN N#Cc1cccc(OCCN2CCCN(c3ccccc3)CC2)c1 ZINC000603869594 400727511 /nfs/dbraw/zinc/72/75/11/400727511.db2.gz CLUJNFWVACNMHR-UHFFFAOYSA-N 0 3 321.424 3.149 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000077567009 400727588 /nfs/dbraw/zinc/72/75/88/400727588.db2.gz UIRIXDJTXQVGMT-DOTOQJQBSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000604203497 400754548 /nfs/dbraw/zinc/75/45/48/400754548.db2.gz LJTOTESGXNOMTR-INIZCTEOSA-N 0 3 305.466 3.001 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000162086073 400742859 /nfs/dbraw/zinc/74/28/59/400742859.db2.gz NCHVBIYXYOVNOU-INIZCTEOSA-N 0 3 300.402 3.114 20 30 DGEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000051053335 400693502 /nfs/dbraw/zinc/69/35/02/400693502.db2.gz JQYAVCMOMDSSQD-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618807993 400694093 /nfs/dbraw/zinc/69/40/93/400694093.db2.gz YHEABOCGVOXKMG-MLGOLLRUSA-N 0 3 300.402 3.255 20 30 DGEDHN CC(C)CCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000077211855 400696085 /nfs/dbraw/zinc/69/60/85/400696085.db2.gz AXZNQNUHHKZGFF-OAHLLOKOSA-N 0 3 319.424 3.439 20 30 DGEDHN C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000597948862 400702544 /nfs/dbraw/zinc/70/25/44/400702544.db2.gz PYLXJNFGHQSWNU-ZNMIVQPWSA-N 0 3 313.445 3.171 20 30 DGEDHN C[C@H](CCC#N)CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000618887914 400709440 /nfs/dbraw/zinc/70/94/40/400709440.db2.gz MXAJQBCNPJPVRQ-IAQYHMDHSA-N 0 3 323.799 3.114 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000618892954 400711243 /nfs/dbraw/zinc/71/12/43/400711243.db2.gz TVRSPXUFFLGCIP-MOPGFXCFSA-N 0 3 323.440 3.069 20 30 DGEDHN CN1CC[C@H]2[C@@H](CCCN2c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613429372 400717066 /nfs/dbraw/zinc/71/70/66/400717066.db2.gz KQNBVSLRWLVFIK-HOTGVXAUSA-N 0 3 312.461 3.171 20 30 DGEDHN CC(C#N)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000598208500 400760383 /nfs/dbraw/zinc/76/03/83/400760383.db2.gz HFOGBZLQDXAQGO-NSHDSACASA-N 0 3 321.218 3.048 20 30 DGEDHN C[C@@]1(CCNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598218960 400763634 /nfs/dbraw/zinc/76/36/34/400763634.db2.gz JRCPDIWLFOOTMV-GDBMZVCRSA-N 0 3 306.356 3.311 20 30 DGEDHN CC(C)(C)C(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598466333 400818539 /nfs/dbraw/zinc/81/85/39/400818539.db2.gz YRNPBDQWQVQPDL-CQSZACIVSA-N 0 3 319.355 3.038 20 30 DGEDHN CC(C)(C)OC(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000613661483 400771407 /nfs/dbraw/zinc/77/14/07/400771407.db2.gz RTXXJHPPMMYUBC-CJNGLKHVSA-N 0 3 300.402 3.424 20 30 DGEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598299586 400776334 /nfs/dbraw/zinc/77/63/34/400776334.db2.gz PRJDALFEUMADGG-RKVPGOIHSA-N 0 3 309.413 3.278 20 30 DGEDHN CN(C)[C@@H](CC(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000598314040 400781213 /nfs/dbraw/zinc/78/12/13/400781213.db2.gz YMQBIKJEATWOMA-KRWDZBQOSA-N 0 3 313.445 3.270 20 30 DGEDHN CC1(C)[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1(F)F ZINC000598341282 400790200 /nfs/dbraw/zinc/79/02/00/400790200.db2.gz RUNSDUQCJMAHGP-KBPBESRZSA-N 0 3 306.356 3.166 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000180083614 400881969 /nfs/dbraw/zinc/88/19/69/400881969.db2.gz GPWJOTKRCZGOCB-SFHVURJKSA-N 0 3 315.461 3.434 20 30 DGEDHN COc1cccc(CN(C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000054424645 400824507 /nfs/dbraw/zinc/82/45/07/400824507.db2.gz ZMHNVLNUBMZTGN-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN Cc1nc([C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)sc1C ZINC000598588652 400836831 /nfs/dbraw/zinc/83/68/31/400836831.db2.gz ANCUFEBXKNKFFA-HUUCEWRRSA-N 0 3 321.490 3.240 20 30 DGEDHN CCc1csc([C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1 ZINC000598590898 400838368 /nfs/dbraw/zinc/83/83/68/400838368.db2.gz SBJHDRRCYHINDE-HIFRSBDPSA-N 0 3 321.490 3.186 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCSC[C@@H]1c1ccccc1 ZINC000598592827 400838591 /nfs/dbraw/zinc/83/85/91/400838591.db2.gz NRNQPCWFDMVLHX-JKSUJKDBSA-N 0 3 304.459 3.077 20 30 DGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)CC(C)(C)C#N)CCC2 ZINC000598596002 400840674 /nfs/dbraw/zinc/84/06/74/400840674.db2.gz NHNGASINJRIELT-OCCSQVGLSA-N 0 3 307.463 3.062 20 30 DGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)CC(C)(C)C#N)CCC2 ZINC000598599298 400842100 /nfs/dbraw/zinc/84/21/00/400842100.db2.gz ZGQJIVPPOAFPAJ-TZMCWYRMSA-N 0 3 321.490 3.315 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000598619051 400844565 /nfs/dbraw/zinc/84/45/65/400844565.db2.gz UXHGQBYPJNMARJ-ZBFHGGJFSA-N 0 3 322.836 3.094 20 30 DGEDHN CC(C)c1ccc2c(c1)CN(C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598624797 400845544 /nfs/dbraw/zinc/84/55/44/400845544.db2.gz HIBAUAACGDQVOX-GOSISDBHSA-N 0 3 300.446 3.469 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000598620550 400846081 /nfs/dbraw/zinc/84/60/81/400846081.db2.gz CDCFWQXKSNETKS-HZPDHXFCSA-N 0 3 322.399 3.272 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000598628700 400846795 /nfs/dbraw/zinc/84/67/95/400846795.db2.gz ZCMWYIJTNVLSQE-MRXNPFEDSA-N 0 3 304.409 3.338 20 30 DGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598626341 400846953 /nfs/dbraw/zinc/84/69/53/400846953.db2.gz AKUNMVGFAUYYQU-GOEBONIOSA-N 0 3 320.408 3.272 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCSc2c(F)cccc21 ZINC000598699220 400859918 /nfs/dbraw/zinc/85/99/18/400859918.db2.gz CXKIWXAXYNIFOQ-SMDDNHRTSA-N 0 3 308.422 3.253 20 30 DGEDHN Cc1c2cc(F)ccc2oc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598702571 400861158 /nfs/dbraw/zinc/86/11/58/400861158.db2.gz VJMJYUXGAWPDGD-ZDUSSCGKSA-N 0 3 304.365 3.271 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(F)c(Cl)cc1F ZINC000598723316 400865833 /nfs/dbraw/zinc/86/58/33/400865833.db2.gz GHSVEIIBRLCVNQ-SNVBAGLBSA-N 0 3 302.752 3.009 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000598722995 400865960 /nfs/dbraw/zinc/86/59/60/400865960.db2.gz CIPQWSDRAHUJFN-UKRRQHHQSA-N 0 3 322.836 3.444 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000598725643 400866661 /nfs/dbraw/zinc/86/66/61/400866661.db2.gz YHXOYQOLNNZKDB-KGLIPLIRSA-N 0 3 314.351 3.223 20 30 DGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598725803 400867015 /nfs/dbraw/zinc/86/70/15/400867015.db2.gz ZZGOVPZXAFEUNG-AWEZNQCLSA-N 0 3 314.351 3.404 20 30 DGEDHN C=CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000181893748 400889669 /nfs/dbraw/zinc/88/96/69/400889669.db2.gz GCOOZUKBWPFGMN-HNNXBMFYSA-N 0 3 314.351 3.294 20 30 DGEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000182547105 400893321 /nfs/dbraw/zinc/89/33/21/400893321.db2.gz SXKBKLCAZHOWLU-KRWDZBQOSA-N 0 3 306.837 3.463 20 30 DGEDHN CC(=O)Nc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748426 400898733 /nfs/dbraw/zinc/89/87/33/400898733.db2.gz DWCFMOMMPJTZEV-UHFFFAOYSA-N 0 3 313.788 3.460 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000182890997 400898974 /nfs/dbraw/zinc/89/89/74/400898974.db2.gz WQJJOWOVXMNBHW-YJBOKZPZSA-N 0 3 301.434 3.009 20 30 DGEDHN C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000619781045 400906084 /nfs/dbraw/zinc/90/60/84/400906084.db2.gz QJSQOPTUUYZTSH-XQQFMLRXSA-N 0 3 319.836 3.089 20 30 DGEDHN CCC(F)(F)C(C)(C)CNCc1cnc2ccc(C#N)cn12 ZINC000598999407 400924999 /nfs/dbraw/zinc/92/49/99/400924999.db2.gz HAWGAXXLNNZAJB-UHFFFAOYSA-N 0 3 306.360 3.367 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000593960458 400927589 /nfs/dbraw/zinc/92/75/89/400927589.db2.gz AQVZSDXWHHMILL-HNNXBMFYSA-N 0 3 321.424 3.437 20 30 DGEDHN Cc1cc(NC[C@H]2CCN2C2CCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000599164103 400982677 /nfs/dbraw/zinc/98/26/77/400982677.db2.gz JPXRRXQYVCRUMT-MRXNPFEDSA-N 0 3 314.389 3.204 20 30 DGEDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(C)c(C#N)c2)cc1 ZINC000599293204 401010801 /nfs/dbraw/zinc/01/08/01/401010801.db2.gz PMJBVWQRSQKPNN-LJQANCHMSA-N 0 3 310.397 3.041 20 30 DGEDHN N#Cc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 ZINC000057569920 401011710 /nfs/dbraw/zinc/01/17/10/401011710.db2.gz RFWLBASLDFWXCG-UHFFFAOYSA-N 0 3 319.452 3.309 20 30 DGEDHN N#Cc1cc2cccnc2nc1NC[C@@H]1CCN1C1CCCCC1 ZINC000599127961 400970233 /nfs/dbraw/zinc/97/02/33/400970233.db2.gz SBKFLHCIUNRECY-KRWDZBQOSA-N 0 3 321.428 3.320 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594069127 400974620 /nfs/dbraw/zinc/97/46/20/400974620.db2.gz CWDBAKJGRUQIEW-WBVHZDCISA-N 0 3 312.417 3.005 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000058418107 401051611 /nfs/dbraw/zinc/05/16/11/401051611.db2.gz WJQCAMHDKIDYDY-UHFFFAOYSA-N 0 3 314.433 3.091 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512267 401062940 /nfs/dbraw/zinc/06/29/40/401062940.db2.gz HIFROUJQBYSMGV-BETUJISGSA-N 0 3 324.371 3.169 20 30 DGEDHN Cc1ccc(Br)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594428279 401064832 /nfs/dbraw/zinc/06/48/32/401064832.db2.gz MENVOWSPYQHALI-LBPRGKRZSA-N 0 3 324.222 3.107 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000594429929 401066806 /nfs/dbraw/zinc/06/68/06/401066806.db2.gz UFSVSCGRPZSVLV-GFCCVEGCSA-N 0 3 317.286 3.194 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000594439156 401070085 /nfs/dbraw/zinc/07/00/85/401070085.db2.gz SVQQLGQAGABNFU-MRXNPFEDSA-N 0 3 324.384 3.224 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000594445189 401071710 /nfs/dbraw/zinc/07/17/10/401071710.db2.gz BJDVXCVTXZTGRE-CHWSQXEVSA-N 0 3 319.371 3.025 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2C)[C@H]2CCC[C@@H]21 ZINC000599656027 401104895 /nfs/dbraw/zinc/10/48/95/401104895.db2.gz SNNJWRSLDGPAPZ-KURKYZTESA-N 0 3 312.413 3.030 20 30 DGEDHN CC(C)(CCC#N)CNc1cccc(CN2CCC(O)CC2)c1 ZINC000083470047 401118081 /nfs/dbraw/zinc/11/80/81/401118081.db2.gz GWLJIFQRZHQOLJ-UHFFFAOYSA-N 0 3 315.461 3.385 20 30 DGEDHN COC(=O)C1C[C@H](C)N(Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000599694936 401120083 /nfs/dbraw/zinc/12/00/83/401120083.db2.gz JDOZAAMSGRQOMU-KBPBESRZSA-N 0 3 300.402 3.029 20 30 DGEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)c(C#N)cc1[N+](=O)[O-] ZINC000594596977 401122353 /nfs/dbraw/zinc/12/23/53/401122353.db2.gz BRPFSFRQSHYBOO-GDBMZVCRSA-N 0 3 314.389 3.204 20 30 DGEDHN C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C(=O)OC(C)(C)C ZINC000594512394 401089648 /nfs/dbraw/zinc/08/96/48/401089648.db2.gz UHHPXHFDUAHRKL-WBMJQRKESA-N 0 3 300.402 3.113 20 30 DGEDHN COC(=O)CCN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063513239 401199128 /nfs/dbraw/zinc/19/91/28/401199128.db2.gz JHRKVJCOEXXDDC-UHFFFAOYSA-N 0 3 308.381 3.124 20 30 DGEDHN COc1cc(F)c(CNCCc2ccc(C#N)cc2)cc1OC ZINC000594955048 401205428 /nfs/dbraw/zinc/20/54/28/401205428.db2.gz LWBUUVQVVBPABM-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN C=CCCSCCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000594959750 401207953 /nfs/dbraw/zinc/20/79/53/401207953.db2.gz BRWWGCMFFUUTJO-UHFFFAOYSA-N 0 3 305.422 3.410 20 30 DGEDHN CCC[C@H](CNC(=O)C(C#N)CCc1ccccc1)OCC ZINC000600174781 401208409 /nfs/dbraw/zinc/20/84/09/401208409.db2.gz OAEZRJWKUBTAEE-DLBZAZTESA-N 0 3 302.418 3.080 20 30 DGEDHN C=CCCSCCNCc1cncc(Br)c1 ZINC000594960630 401208997 /nfs/dbraw/zinc/20/89/97/401208997.db2.gz WXMAAMBOBDDNFY-UHFFFAOYSA-N 0 3 301.253 3.243 20 30 DGEDHN Cc1ccc([C@@H](C)CN2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000600110752 401182005 /nfs/dbraw/zinc/18/20/05/401182005.db2.gz CJTBZWBRIYXNSA-KRWDZBQOSA-N 0 3 320.440 3.187 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000065522391 401268612 /nfs/dbraw/zinc/26/86/12/401268612.db2.gz QCIOTPQNLLZWOJ-WMZOPIPTSA-N 0 3 313.445 3.206 20 30 DGEDHN C=CCN(CCC(=O)Nc1cc(C)on1)CCc1ccccc1 ZINC000065959604 401287332 /nfs/dbraw/zinc/28/73/32/401287332.db2.gz QQZIQCCKSYTQLT-UHFFFAOYSA-N 0 3 313.401 3.042 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)CC(C)C)c1C ZINC000065961369 401287425 /nfs/dbraw/zinc/28/74/25/401287425.db2.gz NAFHZWMQJRHUTN-UHFFFAOYSA-N 0 3 301.434 3.138 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@]2(C)CCOC2)cc1OC ZINC000623474369 401526304 /nfs/dbraw/zinc/52/63/04/401526304.db2.gz ZWGHVJNORSPCNA-INIZCTEOSA-N 0 3 311.809 3.182 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCCOC(C)C)cc1OC ZINC000623491541 401530941 /nfs/dbraw/zinc/53/09/41/401530941.db2.gz ZDBXVGUOOOQWAB-UHFFFAOYSA-N 0 3 313.825 3.428 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)[C@H](C)OC)cc1OC ZINC000623504629 401534612 /nfs/dbraw/zinc/53/46/12/401534612.db2.gz XGLUYYPLVXSBCJ-RYUDHWBXSA-N 0 3 313.825 3.426 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCCC[C@@]32C)CC1 ZINC000636741139 401590705 /nfs/dbraw/zinc/59/07/05/401590705.db2.gz DSKFSKVVUSPVKI-YJBOKZPZSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@@]2(C)C2CCCCC2)CC1 ZINC000636741287 401590726 /nfs/dbraw/zinc/59/07/26/401590726.db2.gz UQGYUFVRPIIWQU-IBGZPJMESA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCOc1ccc(CN(C)CC(O)(CC)CC)cc1OC ZINC000628479230 401604441 /nfs/dbraw/zinc/60/44/41/401604441.db2.gz FNFIIYTXTRYYPV-UHFFFAOYSA-N 0 3 307.434 3.243 20 30 DGEDHN C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2OC)CCC1 ZINC000633376279 401678381 /nfs/dbraw/zinc/67/83/81/401678381.db2.gz RAHFVQKHIJEACX-UHFFFAOYSA-N 0 3 302.418 3.442 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185554191 165008154 /nfs/dbraw/zinc/00/81/54/165008154.db2.gz FDODRMPWODDVNB-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000186115275 165027505 /nfs/dbraw/zinc/02/75/05/165027505.db2.gz URHSKKOYTXRLIA-AQNXPRMDSA-N 0 3 322.408 3.273 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000186115294 165027742 /nfs/dbraw/zinc/02/77/42/165027742.db2.gz URHSKKOYTXRLIA-AABGKKOBSA-N 0 3 322.408 3.273 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000192151949 165284933 /nfs/dbraw/zinc/28/49/33/165284933.db2.gz RXXNFHIFSOLZRB-GFCCVEGCSA-N 0 3 323.371 3.433 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(CSC)cc2)CC1 ZINC000171640338 432154520 /nfs/dbraw/zinc/15/45/20/432154520.db2.gz AFUNWIUIKOOTEY-UHFFFAOYSA-N 0 3 319.474 3.322 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2c(C)cc(C)cc2C)CC1 ZINC000171728238 432164669 /nfs/dbraw/zinc/16/46/69/432164669.db2.gz GHLXNGYQVAZGHK-UHFFFAOYSA-N 0 3 315.461 3.061 20 30 DGEDHN C=CCN1CCC(NC(=O)CSc2ccccc2Cl)CC1 ZINC000171721800 432164882 /nfs/dbraw/zinc/16/48/82/432164882.db2.gz VDEHUDOITAGJER-UHFFFAOYSA-N 0 3 324.877 3.199 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)CCC2CCCCC2)CC1 ZINC000171738619 432166580 /nfs/dbraw/zinc/16/65/80/432166580.db2.gz DSJFNEYKQRJYQG-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000171736925 432166841 /nfs/dbraw/zinc/16/68/41/432166841.db2.gz ZJBARFNMYPIKPH-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN C=CCC[C@@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000269503959 432179707 /nfs/dbraw/zinc/17/97/07/432179707.db2.gz VFUPVRNEAQSPSI-QGZVFWFLSA-N 0 3 301.434 3.041 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000171943731 432185185 /nfs/dbraw/zinc/18/51/85/432185185.db2.gz VGKYYGDFHNDRIN-LJQANCHMSA-N 0 3 313.445 3.270 20 30 DGEDHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000269621747 432189834 /nfs/dbraw/zinc/18/98/34/432189834.db2.gz NPZCIGDSIMNNAL-KDOFPFPSSA-N 0 3 311.429 3.142 20 30 DGEDHN COc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190895587 432198676 /nfs/dbraw/zinc/19/86/76/432198676.db2.gz VNYLFCHRBMNXEK-AWEZNQCLSA-N 0 3 303.321 3.128 20 30 DGEDHN Cc1cc(Br)ccc1CNCc1cc(C#N)n(C)c1 ZINC000190993131 432209414 /nfs/dbraw/zinc/20/94/14/432209414.db2.gz GOOPUVCYBZQYKU-UHFFFAOYSA-N 0 3 318.218 3.258 20 30 DGEDHN CN(C)CCN(C(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000132522157 196262852 /nfs/dbraw/zinc/26/28/52/196262852.db2.gz MJRKFJCERFBGFA-UHFFFAOYSA-N 0 3 314.433 3.286 20 30 DGEDHN Cc1ccc(NCc2cc(C#N)cs2)c(OCCN(C)C)c1 ZINC000133969570 196350580 /nfs/dbraw/zinc/35/05/80/196350580.db2.gz KTMIXCDOAHKNJT-UHFFFAOYSA-N 0 3 315.442 3.481 20 30 DGEDHN Cc1ccccc1CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000175901266 228307023 /nfs/dbraw/zinc/30/70/23/228307023.db2.gz KXTYVOJNFJOWBJ-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN Cc1ccc([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000182326672 228368020 /nfs/dbraw/zinc/36/80/20/228368020.db2.gz CXSZCLCYMLCLJU-INIZCTEOSA-N 0 3 313.445 3.331 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000185782838 228397415 /nfs/dbraw/zinc/39/74/15/228397415.db2.gz ONLNTUDDLMSFOP-SZMVWBNQSA-N 0 3 311.429 3.022 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)C2=CCN(C)CC2)n1 ZINC000329352013 228939867 /nfs/dbraw/zinc/93/98/67/228939867.db2.gz UJDSQICFXSCMAX-CABCVRRESA-N 0 3 304.438 3.058 20 30 DGEDHN C[C@@H](CN(C)C)NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000330684904 229000415 /nfs/dbraw/zinc/00/04/15/229000415.db2.gz TYWXWQKRHTTXTC-ZDUSSCGKSA-N 0 3 305.422 3.048 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000342460024 229112529 /nfs/dbraw/zinc/11/25/29/229112529.db2.gz CZXKWHCQCJOZSY-LBPRGKRZSA-N 0 3 305.259 3.294 20 30 DGEDHN COCC1(C#N)CCN([C@H](C)CCc2cccc(F)c2)CC1 ZINC000342833514 229118505 /nfs/dbraw/zinc/11/85/05/229118505.db2.gz BUWWPDMXCGEVCF-OAHLLOKOSA-N 0 3 304.409 3.399 20 30 DGEDHN CCc1oc(CNCC2CCC(C#N)CC2)cc1C(=O)OC ZINC000338956150 229072366 /nfs/dbraw/zinc/07/23/66/229072366.db2.gz GNTRVEMIPCYMSO-UHFFFAOYSA-N 0 3 304.390 3.048 20 30 DGEDHN N#CCCOCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000339084076 229075341 /nfs/dbraw/zinc/07/53/41/229075341.db2.gz XBRSCJQIWLZIND-AWEZNQCLSA-N 0 3 312.335 3.425 20 30 DGEDHN N#Cc1ccc(N2CCC(NCc3ccccc3F)CC2)cc1 ZINC000299382524 229088571 /nfs/dbraw/zinc/08/85/71/229088571.db2.gz WXBHVRRBQXBUPA-UHFFFAOYSA-N 0 3 309.388 3.456 20 30 DGEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2ccc(F)cc2)cc1 ZINC000344131468 229134335 /nfs/dbraw/zinc/13/43/35/229134335.db2.gz MGSAGSLHWAKGCD-PXAZEXFGSA-N 0 3 312.344 3.200 20 30 DGEDHN CC(C#N)C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000347042946 229180704 /nfs/dbraw/zinc/18/07/04/229180704.db2.gz VZXUSSSWWNGPIB-JTQLQIEISA-N 0 3 307.191 3.104 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OCCC(C)C ZINC000347037141 229180802 /nfs/dbraw/zinc/18/08/02/229180802.db2.gz NLDBKOZBDHRTBP-UONOGXRCSA-N 0 3 318.417 3.457 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccs1 ZINC000348017415 229195812 /nfs/dbraw/zinc/19/58/12/229195812.db2.gz RAYIPDMDTAZRIP-DOMZBBRYSA-N 0 3 309.394 3.179 20 30 DGEDHN COCC1(CCNC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000355085854 229304055 /nfs/dbraw/zinc/30/40/55/229304055.db2.gz CVPIVHAIUQPLSS-QGZVFWFLSA-N 0 3 314.429 3.082 20 30 DGEDHN Cn1cccc1[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000358000505 229355623 /nfs/dbraw/zinc/35/56/23/229355623.db2.gz BPPHHNBZHRZIBB-HKUYNNGSSA-N 0 3 321.424 3.461 20 30 DGEDHN CN(C)[C@@H](CNc1nc2ccccn2c1C#N)c1cccc(F)c1 ZINC000302117762 230103598 /nfs/dbraw/zinc/10/35/98/230103598.db2.gz WSPHOQUPPQCMJI-INIZCTEOSA-N 0 3 323.375 3.060 20 30 DGEDHN N#Cc1cnc(NC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000413026790 230113021 /nfs/dbraw/zinc/11/30/21/230113021.db2.gz WOXBLPGPMYZRMB-UHFFFAOYSA-N 0 3 310.376 3.169 20 30 DGEDHN CN(C)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000302191043 230152605 /nfs/dbraw/zinc/15/26/05/230152605.db2.gz BJDQNKTUKGFFOD-INIZCTEOSA-N 0 3 324.384 3.051 20 30 DGEDHN CCNc1ccc(C#N)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000346963692 264128027 /nfs/dbraw/zinc/12/80/27/264128027.db2.gz SEXNQEABLXGZQP-UHFFFAOYSA-N 0 3 322.412 3.304 20 30 DGEDHN N#Cc1cccnc1NCc1ccc(OCCN2CCCC2)cc1 ZINC000347287736 264190785 /nfs/dbraw/zinc/19/07/85/264190785.db2.gz JUMFUORGZUZHHZ-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DGEDHN COC(=O)C[C@@H](NCc1ccccc1C#N)C1CCCCC1 ZINC000347958517 264314336 /nfs/dbraw/zinc/31/43/36/264314336.db2.gz LCNIUBAQWTWCTM-QGZVFWFLSA-N 0 3 300.402 3.160 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCCO1 ZINC000348358798 264396521 /nfs/dbraw/zinc/39/65/21/264396521.db2.gz QIPSWNBWIACKFX-ZIAGYGMSSA-N 0 3 310.344 3.207 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1F ZINC000359003419 270003946 /nfs/dbraw/zinc/00/39/46/270003946.db2.gz OAOXBLLRRIXYCR-USXIJHARSA-N 0 3 300.377 3.135 20 30 DGEDHN CC[C@H](C)NC(=O)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360659026 270004594 /nfs/dbraw/zinc/00/45/94/270004594.db2.gz WIQRCKVFDNQBEX-KSSFIOAISA-N 0 3 313.445 3.220 20 30 DGEDHN CC[C@@]1(C)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000352544480 265084261 /nfs/dbraw/zinc/08/42/61/265084261.db2.gz BBKZPDFBGCBOII-HKUYNNGSSA-N 0 3 311.429 3.176 20 30 DGEDHN N#Cc1csc(CNC[C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000352810383 265177270 /nfs/dbraw/zinc/17/72/70/265177270.db2.gz MRRUYDCWNIJTBL-KOLCDFICSA-N 0 3 303.353 3.473 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c(C(F)(F)F)c1 ZINC000352863815 265203950 /nfs/dbraw/zinc/20/39/50/265203950.db2.gz WUFKZJXVHQIHSN-BPLDGKMQSA-N 0 3 310.319 3.234 20 30 DGEDHN CCN(C(=O)CN1[C@H](C)CC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000355406424 266094380 /nfs/dbraw/zinc/09/43/80/266094380.db2.gz BNWSVCGIMGRXJU-BZUAXINKSA-N 0 3 313.445 3.341 20 30 DGEDHN CCN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H](C)O ZINC000348713298 266136403 /nfs/dbraw/zinc/13/64/03/266136403.db2.gz WEEPDJZKQFOIPX-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN CCNc1ccc(C#N)cc1NC(=O)[C@@H](CC)N(CC)CC ZINC000354088428 266171708 /nfs/dbraw/zinc/17/17/08/266171708.db2.gz PJUFCIITXIMSPL-MRXNPFEDSA-N 0 3 302.422 3.049 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(CC)CC ZINC000361549589 266291271 /nfs/dbraw/zinc/29/12/71/266291271.db2.gz AQZCYQHUJHSPPJ-IAGOWNOFSA-N 0 3 303.450 3.312 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000359538804 266362225 /nfs/dbraw/zinc/36/22/25/266362225.db2.gz HYVRQGKXBONJSD-CJNGLKHVSA-N 0 3 311.385 3.010 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375012097 266856488 /nfs/dbraw/zinc/85/64/88/266856488.db2.gz JUFLUECFPDZABM-IAGOWNOFSA-N 0 3 314.429 3.205 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)c2ccc(CC#N)cc2)N(C)C)cc1 ZINC000270363159 432236946 /nfs/dbraw/zinc/23/69/46/432236946.db2.gz RYULXBRJJPISIS-IBGZPJMESA-N 0 3 321.424 3.094 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000358885844 267029232 /nfs/dbraw/zinc/02/92/32/267029232.db2.gz VEZLSUQVJAZZNT-VNHYZAJKSA-N 0 3 318.852 3.448 20 30 DGEDHN C[C@H](NC(=O)c1ccccc1CN(C)C)c1ccc(C#N)cc1 ZINC000362500343 267178030 /nfs/dbraw/zinc/17/80/30/267178030.db2.gz ACTZHFZEXYTXTF-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN CCc1ccc(C(C)(C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000516065694 267248340 /nfs/dbraw/zinc/24/83/40/267248340.db2.gz OYRWGCWNGQGMJD-UHFFFAOYSA-N 0 3 319.412 3.188 20 30 DGEDHN C[C@](O)(CN[C@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000360655226 267257640 /nfs/dbraw/zinc/25/76/40/267257640.db2.gz CKGWNLGOYPHMBE-GJZGRUSLSA-N 0 3 312.335 3.229 20 30 DGEDHN C[C@H](C(=O)Nc1ccccc1CCN(C)C)c1cccc(C#N)c1 ZINC000462329483 267810963 /nfs/dbraw/zinc/81/09/63/267810963.db2.gz ZQDWCTMFLAVFEI-HNNXBMFYSA-N 0 3 321.424 3.405 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000151348949 432239541 /nfs/dbraw/zinc/23/95/41/432239541.db2.gz MKRMLJWKVRJTMM-MSOLQXFVSA-N 0 3 315.413 3.142 20 30 DGEDHN N#Cc1ccc(C2=CCN(CCC(=O)NC3CCCC3)CC2)cc1 ZINC000362101472 268054836 /nfs/dbraw/zinc/05/48/36/268054836.db2.gz DJMOVFWNDUUOIE-UHFFFAOYSA-N 0 3 323.440 3.096 20 30 DGEDHN N#Cc1ccc(C2=CCN(CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000373116893 268055178 /nfs/dbraw/zinc/05/51/78/268055178.db2.gz AGKLPWAOOFYDHE-LJQANCHMSA-N 0 3 312.413 3.191 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000363855533 268212365 /nfs/dbraw/zinc/21/23/65/268212365.db2.gz QCBFGWOGOLZZBK-RBUKOAKNSA-N 0 3 324.449 3.382 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCn1cnc3ccccc31)CC2 ZINC000353409498 268223297 /nfs/dbraw/zinc/22/32/97/268223297.db2.gz FJDASYJOKYSJCO-QGZVFWFLSA-N 0 3 302.381 3.185 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCN1CCc3ccccc3C1)CC2 ZINC000353410602 268223574 /nfs/dbraw/zinc/22/35/74/268223574.db2.gz ICEAXKBOKBOOGU-OAQYLSRUSA-N 0 3 317.436 3.193 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367402655 268281920 /nfs/dbraw/zinc/28/19/20/268281920.db2.gz LITFUHZTBPKDRR-IAGOWNOFSA-N 0 3 314.429 3.076 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1cc(C)cc(CN(C)C)c1)OCC ZINC000270398532 432241801 /nfs/dbraw/zinc/24/18/01/432241801.db2.gz VJQDYRQYUXHKDC-KRWDZBQOSA-N 0 3 304.434 3.366 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)N(C)Cc1ccccc1 ZINC000270443102 432247025 /nfs/dbraw/zinc/24/70/25/432247025.db2.gz RYSPUYIMPHXRIG-INIZCTEOSA-N 0 3 321.424 3.003 20 30 DGEDHN CC[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000183019227 432250255 /nfs/dbraw/zinc/25/02/55/432250255.db2.gz FAAJLGXMRWGALP-TUAOUCFPSA-N 0 3 319.474 3.460 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCSC[C@@H]1C1CCC1 ZINC000419362239 274090917 /nfs/dbraw/zinc/09/09/17/274090917.db2.gz BMFMHLPFMZBMSJ-MRXNPFEDSA-N 0 3 302.443 3.284 20 30 DGEDHN COc1cc(CN2C[C@H](C)NCc3ccccc32)ccc1C#N ZINC000261973973 274094250 /nfs/dbraw/zinc/09/42/50/274094250.db2.gz ZJMOUAHLOIKZBT-AWEZNQCLSA-N 0 3 307.397 3.065 20 30 DGEDHN C[C@@H](OC[C@H](O)CN1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000145651463 274274814 /nfs/dbraw/zinc/27/48/14/274274814.db2.gz AKQWQTRSIHTMDJ-CXAGYDPISA-N 0 3 322.836 3.014 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](N2CC=CC2)C1 ZINC000266217641 274701015 /nfs/dbraw/zinc/70/10/15/274701015.db2.gz HFPKPIOGNOHCQI-MRXNPFEDSA-N 0 3 322.387 3.005 20 30 DGEDHN Cc1nc(NC[C@@H](c2ccco2)N2CCCCC2)ccc1C#N ZINC000487935692 429174406 /nfs/dbraw/zinc/17/44/06/429174406.db2.gz RWWNGBMVXMDGAP-INIZCTEOSA-N 0 3 310.401 3.494 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)CC1 ZINC000458338605 275427112 /nfs/dbraw/zinc/42/71/12/275427112.db2.gz RRKGPVWBNLKWRT-KRWDZBQOSA-N 0 3 319.493 3.247 20 30 DGEDHN CC(C)c1nc2n(n1)CCC[C@H]2NC1CCC(C)(C#N)CC1 ZINC000449196474 275762844 /nfs/dbraw/zinc/76/28/44/275762844.db2.gz SHKYIUCNXBXBIM-XOYHFGRZSA-N 0 3 301.438 3.298 20 30 DGEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486811353 276284360 /nfs/dbraw/zinc/28/43/60/276284360.db2.gz TYEDAKQYVMZXQD-JKSUJKDBSA-N 0 3 305.466 3.230 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1CC1CCCCC1 ZINC000352362651 276341903 /nfs/dbraw/zinc/34/19/03/276341903.db2.gz RJTQVMOUKMXMGC-QGZVFWFLSA-N 0 3 305.466 3.183 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(F)c1 ZINC000412587892 276771979 /nfs/dbraw/zinc/77/19/79/276771979.db2.gz XBQQJUSXRZEWEH-GOSISDBHSA-N 0 3 315.392 3.300 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000444664288 277120581 /nfs/dbraw/zinc/12/05/81/277120581.db2.gz NHGZDEFZWVMSJA-OLZOCXBDSA-N 0 3 306.372 3.484 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1nc(C)cs1)C(C)C ZINC000339060569 277849395 /nfs/dbraw/zinc/84/93/95/277849395.db2.gz LDHPVFKHHFJGOP-AWEZNQCLSA-N 0 3 322.478 3.272 20 30 DGEDHN CC1CCN(CCNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619694593 430597653 /nfs/dbraw/zinc/59/76/53/430597653.db2.gz NNWATFDSYSYBIC-UHFFFAOYSA-N 0 3 312.339 3.116 20 30 DGEDHN C[C@@H](CCn1cccn1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000159081657 278236910 /nfs/dbraw/zinc/23/69/10/278236910.db2.gz CNKYHKMJZUIISY-AWEZNQCLSA-N 0 3 321.346 3.322 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2CCCCC#N)C1 ZINC000370606123 278397185 /nfs/dbraw/zinc/39/71/85/278397185.db2.gz HRNKVUDRTATKHU-KRWDZBQOSA-N 0 3 307.438 3.156 20 30 DGEDHN C[C@H](C(=O)N[C@H]1CCCc2c1cnn2C)N1CCCCCC1 ZINC000329725740 279180897 /nfs/dbraw/zinc/18/08/97/279180897.db2.gz GHQNYLARBVGEHG-HIFRSBDPSA-N 0 3 304.438 3.019 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000068918439 431151344 /nfs/dbraw/zinc/15/13/44/431151344.db2.gz QHBBBRNNUCKEOF-UHFFFAOYSA-N 0 3 311.212 3.277 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000070059595 431238914 /nfs/dbraw/zinc/23/89/14/431238914.db2.gz BUWSYKIMHMHSEA-UHFFFAOYSA-N 0 3 319.493 3.391 20 30 DGEDHN N#Cc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000070976804 431267042 /nfs/dbraw/zinc/26/70/42/431267042.db2.gz NVGRRLDCWXXEQN-IBGZPJMESA-N 0 3 322.408 3.445 20 30 DGEDHN N#Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000070976804 431267047 /nfs/dbraw/zinc/26/70/47/431267047.db2.gz NVGRRLDCWXXEQN-IBGZPJMESA-N 0 3 322.408 3.445 20 30 DGEDHN CCC[C@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000112377470 431270939 /nfs/dbraw/zinc/27/09/39/431270939.db2.gz XUGOTBUFQQHSCG-IBGZPJMESA-N 0 3 324.424 3.388 20 30 DGEDHN N#CCSCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072517836 431340704 /nfs/dbraw/zinc/34/07/04/431340704.db2.gz LDFISLJSVBCWPX-INIZCTEOSA-N 0 3 320.458 3.020 20 30 DGEDHN N#CCSCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072517836 431340707 /nfs/dbraw/zinc/34/07/07/431340707.db2.gz LDFISLJSVBCWPX-INIZCTEOSA-N 0 3 320.458 3.020 20 30 DGEDHN N#Cc1cccc(CN(CCO)[C@H]2CCCc3ccccc32)c1 ZINC000074312168 431411788 /nfs/dbraw/zinc/41/17/88/431411788.db2.gz DYQJQUUAEIQBGG-FQEVSTJZSA-N 0 3 306.409 3.430 20 30 DGEDHN COc1ccc([C@@H]2CCCN2CCCSCC#N)c(OC)c1 ZINC000074980745 431444425 /nfs/dbraw/zinc/44/44/25/431444425.db2.gz QDNDCEMECCNZHL-INIZCTEOSA-N 0 3 320.458 3.488 20 30 DGEDHN N#CCSCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000074989203 431446553 /nfs/dbraw/zinc/44/65/53/431446553.db2.gz WMKRPJJQJSKTBB-UHFFFAOYSA-N 0 3 309.866 3.109 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000115596772 431465286 /nfs/dbraw/zinc/46/52/86/431465286.db2.gz LTHXSKMQFPQKLA-DNVCBOLYSA-N 0 3 319.408 3.404 20 30 DGEDHN C[C@@H](C1CC1)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000075683323 431492525 /nfs/dbraw/zinc/49/25/25/431492525.db2.gz WUSIANMJOHRRMY-NSHDSACASA-N 0 3 317.820 3.413 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000012284584 431500365 /nfs/dbraw/zinc/50/03/65/431500365.db2.gz ZXSJTQJCCTZYDD-GOSISDBHSA-N 0 3 319.408 3.409 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000120249724 431725133 /nfs/dbraw/zinc/72/51/33/431725133.db2.gz PRVWLSZNRXSHOJ-NVXWUHKLSA-N 0 3 321.852 3.435 20 30 DGEDHN N#CCSCCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120324055 431727221 /nfs/dbraw/zinc/72/72/21/431727221.db2.gz XBZGTEILEYUILI-OAHLLOKOSA-N 0 3 310.850 3.440 20 30 DGEDHN C=CCCOCCNCc1ccc(OC)c(Br)c1 ZINC000120859603 431738350 /nfs/dbraw/zinc/73/83/50/431738350.db2.gz UQUJNRMKMMVXSR-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119833795 431718425 /nfs/dbraw/zinc/71/84/25/431718425.db2.gz PBLUPKOJQNPFPO-LSBZLQRGSA-N 0 3 323.440 3.095 20 30 DGEDHN CCC(CC)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000122101402 431812086 /nfs/dbraw/zinc/81/20/86/431812086.db2.gz NHZXPDCIDFVXFW-UHFFFAOYSA-N 0 3 315.461 3.275 20 30 DGEDHN COCCCOC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000122655394 431841305 /nfs/dbraw/zinc/84/13/05/431841305.db2.gz QQBRECAVEPNPDP-OAHLLOKOSA-N 0 3 302.418 3.137 20 30 DGEDHN C#CCOc1ccccc1CNCCc1nc(C)c(C)s1 ZINC000122763896 431843413 /nfs/dbraw/zinc/84/34/13/431843413.db2.gz QBUNCEZLCQEDEQ-UHFFFAOYSA-N 0 3 300.427 3.104 20 30 DGEDHN CC(C)C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000123774218 431873949 /nfs/dbraw/zinc/87/39/49/431873949.db2.gz BQTCJHNYGNURPY-HKUYNNGSSA-N 0 3 313.445 3.172 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000122233148 431822777 /nfs/dbraw/zinc/82/27/77/431822777.db2.gz FBQJCTPMELQDBW-OAHLLOKOSA-N 0 3 307.825 3.143 20 30 DGEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccc(C)cc1 ZINC000122486252 431834943 /nfs/dbraw/zinc/83/49/43/431834943.db2.gz SGUJXBMJFOXQOB-UHFFFAOYSA-N 0 3 302.447 3.093 20 30 DGEDHN C=C(C)COc1cc(CN(C)[C@H](CO)C(C)(C)C)ccc1OC ZINC000093837566 431917928 /nfs/dbraw/zinc/91/79/28/431917928.db2.gz PHESPSPLCJMQLL-GOSISDBHSA-N 0 3 321.461 3.489 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000089819951 431880937 /nfs/dbraw/zinc/88/09/37/431880937.db2.gz CENGSGILJLBIBL-UHFFFAOYSA-N 0 3 310.397 3.327 20 30 DGEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccccc1C ZINC000124119783 431883805 /nfs/dbraw/zinc/88/38/05/431883805.db2.gz HKZFJUCHGWOCBD-UHFFFAOYSA-N 0 3 302.447 3.093 20 30 DGEDHN C=CCOc1cccc(CNC[C@](C)(O)c2ccsc2)c1 ZINC000124142119 431884802 /nfs/dbraw/zinc/88/48/02/431884802.db2.gz GWTMFFUJCRJGNT-KRWDZBQOSA-N 0 3 303.427 3.310 20 30 DGEDHN COc1ccc(CN(C)Cc2cccc(N(C)C)c2)cc1C#N ZINC000089922996 431885347 /nfs/dbraw/zinc/88/53/47/431885347.db2.gz SRIFYYKZBYJYRR-UHFFFAOYSA-N 0 3 309.413 3.265 20 30 DGEDHN C=CCC[C@H](NCC(=O)N(C)CC(F)(F)F)c1ccccc1 ZINC000090088357 431889640 /nfs/dbraw/zinc/88/96/40/431889640.db2.gz UGIUNOLIILTBTI-AWEZNQCLSA-N 0 3 314.351 3.304 20 30 DGEDHN CC(C)(CCC#N)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000092149369 431907268 /nfs/dbraw/zinc/90/72/68/431907268.db2.gz GUWFBMPFPBDYHG-UHFFFAOYSA-N 0 3 319.474 3.226 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000127624001 431976792 /nfs/dbraw/zinc/97/67/92/431976792.db2.gz XLBUKGULAOWLIT-GOSISDBHSA-N 0 3 315.461 3.431 20 30 DGEDHN CCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000125822371 431936096 /nfs/dbraw/zinc/93/60/96/431936096.db2.gz REPGKCSMKVWYBM-AWEZNQCLSA-N 0 3 305.397 3.193 20 30 DGEDHN CCC(=CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)CC ZINC000126143934 431943718 /nfs/dbraw/zinc/94/37/18/431943718.db2.gz RNHVUGQGVRCRAF-UHFFFAOYSA-N 0 3 313.445 3.195 20 30 DGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000126954406 431961408 /nfs/dbraw/zinc/96/14/08/431961408.db2.gz JZABORGVJBERKO-PMACEKPBSA-N 0 3 322.408 3.437 20 30 DGEDHN C=CCN(CCC(=O)N1CCCCC1)Cc1ccc(OC)cc1 ZINC000054272589 431969743 /nfs/dbraw/zinc/96/97/43/431969743.db2.gz CIKXVJDWKHVICV-UHFFFAOYSA-N 0 3 316.445 3.086 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC000183217313 432270908 /nfs/dbraw/zinc/27/09/08/432270908.db2.gz VYGOERWRXKQGJY-BZSNNMDCSA-N 0 3 322.493 3.006 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)s1 ZINC000248397499 432285044 /nfs/dbraw/zinc/28/50/44/432285044.db2.gz RWFVXLFLWNKIOA-RDTXWAMCSA-N 0 3 311.454 3.230 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000128489158 431995617 /nfs/dbraw/zinc/99/56/17/431995617.db2.gz WNYQLYZDISWAHA-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000248924171 432329657 /nfs/dbraw/zinc/32/96/57/432329657.db2.gz LHVQKONCNPUEMH-DKSSEZFCSA-N 0 3 323.440 3.095 20 30 DGEDHN CCn1cnnc1[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000248945465 432331433 /nfs/dbraw/zinc/33/14/33/432331433.db2.gz OOYMINZZRDDSGW-PBHICJAKSA-N 0 3 309.417 3.110 20 30 DGEDHN COc1ccc(CNCc2ccccc2-n2ccnc2)cc1C#N ZINC000174302177 432335008 /nfs/dbraw/zinc/33/50/08/432335008.db2.gz NWTYQMMVANCQBG-UHFFFAOYSA-N 0 3 318.380 3.042 20 30 DGEDHN CC[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1CCCO1 ZINC000191825270 432307152 /nfs/dbraw/zinc/30/71/52/432307152.db2.gz PPUHXBQEFFKKEM-HUUCEWRRSA-N 0 3 323.234 3.368 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)C1CCN(C2CC2)CC1 ZINC000192530411 432383991 /nfs/dbraw/zinc/38/39/91/432383991.db2.gz QXJHQJXCHGFPEB-UHFFFAOYSA-N 0 3 304.478 3.456 20 30 DGEDHN COc1cc2c(cc1CN[C@H]1CCC[C@H](C#N)C1)O[C@H](C)C2 ZINC000192647318 432397249 /nfs/dbraw/zinc/39/72/49/432397249.db2.gz VHIOTGRWBRYKTH-WWGRRREGSA-N 0 3 300.402 3.191 20 30 DGEDHN C=C(C)COc1cc(CN2CCC(O)(CC)CC2)ccc1OC ZINC000271218438 432356958 /nfs/dbraw/zinc/35/69/58/432356958.db2.gz YDJYCMDEKMOWJQ-UHFFFAOYSA-N 0 3 319.445 3.387 20 30 DGEDHN Oc1ccccc1/C=N/C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192398455 432369381 /nfs/dbraw/zinc/36/93/81/432369381.db2.gz HUVSBQJDGQAJPH-IOVUBPJKSA-N 0 3 324.424 3.102 20 30 DGEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(NC(N)=O)cc1 ZINC000193025024 432440008 /nfs/dbraw/zinc/44/00/08/432440008.db2.gz HVAPIQGOQUEZQJ-CHWSQXEVSA-N 0 3 308.385 3.461 20 30 DGEDHN CCN(CC(C)C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000153768277 432441987 /nfs/dbraw/zinc/44/19/87/432441987.db2.gz OWWYOTFJICZHDK-HNNXBMFYSA-N 0 3 319.424 3.439 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000185030363 432459035 /nfs/dbraw/zinc/45/90/35/432459035.db2.gz SKEYFEXVDVYTHI-GOSISDBHSA-N 0 3 300.446 3.162 20 30 DGEDHN N#Cc1cccc(C2(NC3CCN(c4nccs4)CC3)CC2)c1 ZINC000272312938 432479326 /nfs/dbraw/zinc/47/93/26/432479326.db2.gz UAVVHRHQTWMIBL-UHFFFAOYSA-N 0 3 324.453 3.262 20 30 DGEDHN CCC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000193631231 432487325 /nfs/dbraw/zinc/48/73/25/432487325.db2.gz TVBACRQDIZUQAZ-SJLPKXTDSA-N 0 3 301.434 3.172 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@H](O)c2ccsc2)cc1 ZINC000154461622 432500121 /nfs/dbraw/zinc/50/01/21/432500121.db2.gz VPOPWPLQEYLMMH-GUYCJALGSA-N 0 3 301.411 3.144 20 30 DGEDHN C[C@@](O)(CNCc1ccc(C#N)s1)c1ccccc1Cl ZINC000185107944 432467162 /nfs/dbraw/zinc/46/71/62/432467162.db2.gz GGVVMGVFCMCXSE-OAHLLOKOSA-N 0 3 306.818 3.270 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cccc(C(=O)N(C)C)c1 ZINC000272233233 432467679 /nfs/dbraw/zinc/46/76/79/432467679.db2.gz FDSKJZRBITYJSI-UHFFFAOYSA-N 0 3 312.413 3.212 20 30 DGEDHN C[C@](O)(CNCc1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000185115594 432468170 /nfs/dbraw/zinc/46/81/70/432468170.db2.gz BOUURFTXLOIRRV-HNNXBMFYSA-N 0 3 306.818 3.270 20 30 DGEDHN CC1CCN([C@@H](CNc2ccc(C#N)nn2)c2ccccc2)CC1 ZINC000301894829 281835884 /nfs/dbraw/zinc/83/58/84/281835884.db2.gz BEMQOKSUSBVUDI-SFHVURJKSA-N 0 3 321.428 3.233 20 30 DGEDHN CC(C)(C)OC(=O)NC1CCN(CC(C)(C)CCC#N)CC1 ZINC000154879619 432527563 /nfs/dbraw/zinc/52/75/63/432527563.db2.gz KLSXCDKJNMSTMP-UHFFFAOYSA-N 0 3 309.454 3.305 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000176499768 432529770 /nfs/dbraw/zinc/52/97/70/432529770.db2.gz FFWGULOKZJPPOH-WBVHZDCISA-N 0 3 305.466 3.001 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000185778226 432532234 /nfs/dbraw/zinc/53/22/34/432532234.db2.gz CYDKUIFLDDOSNI-DGCLKSJQSA-N 0 3 313.323 3.195 20 30 DGEDHN COc1ccc(CNCCCC#N)cc1OCc1cccnc1 ZINC000273026350 432540235 /nfs/dbraw/zinc/54/02/35/432540235.db2.gz FNDFREWXSBXFMJ-UHFFFAOYSA-N 0 3 311.385 3.063 20 30 DGEDHN C=CC[C@@H](CO)NCc1ccc(OCC(C)C)c(OCC)c1 ZINC000273529675 432608650 /nfs/dbraw/zinc/60/86/50/432608650.db2.gz UWZFNWMHPSNJMP-INIZCTEOSA-N 0 3 307.434 3.147 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)ccc2OC)C12CCC2 ZINC000157124148 432614852 /nfs/dbraw/zinc/61/48/52/432614852.db2.gz LIWNTBLKCNUSNW-ZWKOTPCHSA-N 0 3 314.429 3.346 20 30 DGEDHN CCN1CCN(c2cccc(N[C@H]3CCC[C@H](C#N)C3)c2)CC1 ZINC000194716266 432570302 /nfs/dbraw/zinc/57/03/02/432570302.db2.gz GVZQRYIHYYEDPP-IRXDYDNUSA-N 0 3 312.461 3.323 20 30 DGEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000273312407 432582548 /nfs/dbraw/zinc/58/25/48/432582548.db2.gz NVDUQSUAFMUJBR-IEBWSBKVSA-N 0 3 323.440 3.214 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186328238 432583080 /nfs/dbraw/zinc/58/30/80/432583080.db2.gz WPEDXISPRRPDPM-SFHVURJKSA-N 0 3 315.461 3.115 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000186332075 432583281 /nfs/dbraw/zinc/58/32/81/432583281.db2.gz UMQAXOHRQANWPV-QGZVFWFLSA-N 0 3 314.429 3.420 20 30 DGEDHN CCC[C@]1(COC)CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000194926766 432587917 /nfs/dbraw/zinc/58/79/17/432587917.db2.gz XKXGDQXJBPLGED-GOSISDBHSA-N 0 3 302.418 3.348 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186378551 432589887 /nfs/dbraw/zinc/58/98/87/432589887.db2.gz PQJKZWYYEHMUPA-AEFFLSMTSA-N 0 3 302.418 3.250 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCOC1 ZINC000177151864 432590266 /nfs/dbraw/zinc/59/02/66/432590266.db2.gz VVEJQVFTGKPDRI-HNNXBMFYSA-N 0 3 311.347 3.415 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCOC1 ZINC000177151879 432590653 /nfs/dbraw/zinc/59/06/53/432590653.db2.gz VVEJQVFTGKPDRI-OAHLLOKOSA-N 0 3 311.347 3.415 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccccc2)CC1 ZINC000264363765 432639854 /nfs/dbraw/zinc/63/98/54/432639854.db2.gz IEEHRVKXGUQXBR-UHFFFAOYSA-N 0 3 315.461 3.261 20 30 DGEDHN C=CC[C@H](C(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1 ZINC000187003071 432640810 /nfs/dbraw/zinc/64/08/10/432640810.db2.gz QZOTVJOURBMECB-KRWDZBQOSA-N 0 3 300.446 3.289 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)[C@@]12CCCO2 ZINC000274237085 432641762 /nfs/dbraw/zinc/64/17/62/432641762.db2.gz QHHYIVWZLNLNKN-IUHNQTRMSA-N 0 3 318.392 3.075 20 30 DGEDHN CCN(CC)[C@@H](CNCc1cc(C#N)cs1)c1ccco1 ZINC000177692535 432650794 /nfs/dbraw/zinc/65/07/94/432650794.db2.gz OPPZCFIHYRWLIL-HNNXBMFYSA-N 0 3 303.431 3.385 20 30 DGEDHN N#Cc1csc(CNCCc2nc(C(F)(F)F)cs2)c1 ZINC000177707968 432653972 /nfs/dbraw/zinc/65/39/72/432653972.db2.gz AHHDYIWWLVCYET-UHFFFAOYSA-N 0 3 317.361 3.427 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3cc(C)cc(C)c3)CC2)CC1 ZINC000264524268 432656205 /nfs/dbraw/zinc/65/62/05/432656205.db2.gz XVYISETUQZXGTB-UHFFFAOYSA-N 0 3 312.457 3.102 20 30 DGEDHN C=CCCOCCNCc1cc(-c2ccncc2)ccc1OC ZINC000187340986 432659889 /nfs/dbraw/zinc/65/98/89/432659889.db2.gz PUIQFKALUFVVAG-UHFFFAOYSA-N 0 3 312.413 3.440 20 30 DGEDHN CCOc1ccc(C#N)cc1NC(=O)[C@H](C)NC(C)(C)CC ZINC000274641187 432693679 /nfs/dbraw/zinc/69/36/79/432693679.db2.gz QOERQKJSWPIIJN-LBPRGKRZSA-N 0 3 303.406 3.062 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000187986791 432697229 /nfs/dbraw/zinc/69/72/29/432697229.db2.gz LKTZIPAEDHVDJI-CRAIPNDOSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000275497214 432726611 /nfs/dbraw/zinc/72/66/11/432726611.db2.gz UNKOAZFGKSWCFO-RYUDHWBXSA-N 0 3 309.360 3.409 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000159143762 432671847 /nfs/dbraw/zinc/67/18/47/432671847.db2.gz UBIKPKJZEJVJDT-AEFFLSMTSA-N 0 3 315.461 3.335 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068142 432762548 /nfs/dbraw/zinc/76/25/48/432762548.db2.gz IOLVVGYLDQLCGH-QAPCUYQASA-N 0 3 300.446 3.335 20 30 DGEDHN CN(Cc1ccc(OCC#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000266596261 432769027 /nfs/dbraw/zinc/76/90/27/432769027.db2.gz OPZCFNSLXHJDFW-IBGZPJMESA-N 0 3 310.397 3.144 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000276208340 432782709 /nfs/dbraw/zinc/78/27/09/432782709.db2.gz ZQZZPPVISVQUOB-QGZVFWFLSA-N 0 3 301.434 3.041 20 30 DGEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000160553867 432728124 /nfs/dbraw/zinc/72/81/24/432728124.db2.gz RPVIBDWFCHVCGT-AAEUAGOBSA-N 0 3 305.422 3.463 20 30 DGEDHN C=C(C)CN1CCC(Nc2ccc(Br)cn2)CC1 ZINC000265867035 432740461 /nfs/dbraw/zinc/74/04/61/432740461.db2.gz YNUQFCNEISVFCN-UHFFFAOYSA-N 0 3 310.239 3.297 20 30 DGEDHN C[C@@H](NCCOCC(F)(F)C(F)(F)F)c1ccc(C#N)cc1 ZINC000276235559 432785606 /nfs/dbraw/zinc/78/56/06/432785606.db2.gz NUWKIAMHVZCBKH-SNVBAGLBSA-N 0 3 322.277 3.423 20 30 DGEDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000178885596 432785739 /nfs/dbraw/zinc/78/57/39/432785739.db2.gz GNILNTPDXPHNLQ-CYBMUJFWSA-N 0 3 324.380 3.204 20 30 DGEDHN COc1ccc2c(c1)C[C@H](NCc1ccc(C#N)cc1F)CC2 ZINC000179023536 432796657 /nfs/dbraw/zinc/79/66/57/432796657.db2.gz IEVKOPKMHAPMJX-QGZVFWFLSA-N 0 3 310.372 3.353 20 30 DGEDHN CC(C)(C#N)CCCN1CCN(CCc2cccs2)CC1 ZINC000266920983 432799417 /nfs/dbraw/zinc/79/94/17/432799417.db2.gz OUXDCRMGWBDGRP-UHFFFAOYSA-N 0 3 305.491 3.238 20 30 DGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(OC(F)F)c1 ZINC000189581961 432801093 /nfs/dbraw/zinc/80/10/93/432801093.db2.gz KQRLOWVIQVTRIK-LLVKDONJSA-N 0 3 305.328 3.349 20 30 DGEDHN C=CCCO[C@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267073995 432810851 /nfs/dbraw/zinc/81/08/51/432810851.db2.gz ONOWWIKLIRVGNJ-CYBMUJFWSA-N 0 3 301.390 3.452 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000267087521 432812296 /nfs/dbraw/zinc/81/22/96/432812296.db2.gz WHIARGRNBXVMFC-UHFFFAOYSA-N 0 3 308.425 3.445 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245843654 432865405 /nfs/dbraw/zinc/86/54/05/432865405.db2.gz BSUAUODRGWZFJG-BRWVUGGUSA-N 0 3 313.445 3.300 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCC34CCCC4)C2=O)cc1 ZINC000329928939 432883236 /nfs/dbraw/zinc/88/32/36/432883236.db2.gz MYXMWAUQRNXSKL-QZTJIDSGSA-N 0 3 323.440 3.366 20 30 DGEDHN CC(C)(C)[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1 ZINC000329995144 432887750 /nfs/dbraw/zinc/88/77/50/432887750.db2.gz MXBPMHABWSWORI-HUUCEWRRSA-N 0 3 318.465 3.118 20 30 DGEDHN N=C(NCc1ccc2c(n1)CCCC2)Nc1cc(F)ccc1F ZINC000288745293 432896195 /nfs/dbraw/zinc/89/61/95/432896195.db2.gz PYLPUXVHVNTKRV-UHFFFAOYSA-N 0 3 316.355 3.165 20 30 DGEDHN N#Cc1cc(CN(CCO)[C@@H]2CCc3ccccc32)ccc1F ZINC000268204156 432856163 /nfs/dbraw/zinc/85/61/63/432856163.db2.gz INGJJZCKPLVBBR-LJQANCHMSA-N 0 3 310.372 3.179 20 30 DGEDHN C=CCOc1cccc(CNCCOCC(F)(F)C(F)F)c1 ZINC000277517520 432857321 /nfs/dbraw/zinc/85/73/21/432857321.db2.gz RZMJGUOFUKBGHE-UHFFFAOYSA-N 0 3 321.314 3.258 20 30 DGEDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000331158514 432934093 /nfs/dbraw/zinc/93/40/93/432934093.db2.gz DSUXGSJGPPCZRN-TZMCWYRMSA-N 0 3 305.447 3.343 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000278657792 432898599 /nfs/dbraw/zinc/89/85/99/432898599.db2.gz AUOBZGSJAMGIDL-WBVHZDCISA-N 0 3 313.445 3.096 20 30 DGEDHN O=C(N[C@@H](CCO)C1CCCCC1)C1CCN(C2CC2)CC1 ZINC000330238940 432899669 /nfs/dbraw/zinc/89/96/69/432899669.db2.gz VIYLHIVIMBBLTI-KRWDZBQOSA-N 0 3 308.466 3.149 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000278869003 432910943 /nfs/dbraw/zinc/91/09/43/432910943.db2.gz WVGNWPZVXZAXQQ-DFBGVHRSSA-N 0 3 323.234 3.154 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC1 ZINC000296464860 432910940 /nfs/dbraw/zinc/91/09/40/432910940.db2.gz PSPHKOYWRWCVPY-MRXNPFEDSA-N 0 3 309.413 3.183 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000330483714 432913002 /nfs/dbraw/zinc/91/30/02/432913002.db2.gz VWMQUUVUGSXNPX-UHFFFAOYSA-N 0 3 313.348 3.098 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C(C)(C)C)nn1C ZINC000330560960 432917770 /nfs/dbraw/zinc/91/77/70/432917770.db2.gz IDIKFLVMIOAEGC-ZIAGYGMSSA-N 0 3 320.481 3.143 20 30 DGEDHN CN(C(=O)CC(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000278933441 432918948 /nfs/dbraw/zinc/91/89/48/432918948.db2.gz FJTWROHSIQDHJP-KRWDZBQOSA-N 0 3 313.445 3.049 20 30 DGEDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330595238 432919638 /nfs/dbraw/zinc/91/96/38/432919638.db2.gz BQORSUHUZATKQE-TZMCWYRMSA-N 0 3 319.405 3.307 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000280066163 433001940 /nfs/dbraw/zinc/00/19/40/433001940.db2.gz MZLRLIDNGFMPBE-DLBZAZTESA-N 0 3 307.397 3.080 20 30 DGEDHN C=C[C@H](CO)N[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000289634424 432970313 /nfs/dbraw/zinc/97/03/13/432970313.db2.gz FKDYHQJZOVNTQE-RISCZKNCSA-N 0 3 318.417 3.463 20 30 DGEDHN C=C[C@@H](CO)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000289835109 432977612 /nfs/dbraw/zinc/97/76/12/432977612.db2.gz POUPUMLPESNDBK-KBPBESRZSA-N 0 3 318.417 3.463 20 30 DGEDHN CCC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279622380 432989626 /nfs/dbraw/zinc/98/96/26/432989626.db2.gz UTYJJWKFZZRACU-QGZVFWFLSA-N 0 3 309.413 3.279 20 30 DGEDHN N#CCOc1cccc(NC2CCN(c3ccncc3)CC2)c1 ZINC000297305704 432991083 /nfs/dbraw/zinc/99/10/83/432991083.db2.gz BIPKADATDPGLGX-UHFFFAOYSA-N 0 3 308.385 3.065 20 30 DGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2F)o1 ZINC000289410740 432956734 /nfs/dbraw/zinc/95/67/34/432956734.db2.gz HUNHAADPRUWDSJ-UHFFFAOYSA-N 0 3 315.392 3.163 20 30 DGEDHN N#CCCn1cc(CN2CCC3(CCC3)C2)c(-c2ccncc2)n1 ZINC000279333105 432957176 /nfs/dbraw/zinc/95/71/76/432957176.db2.gz DACODFAINMRMMC-UHFFFAOYSA-N 0 3 321.428 3.235 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(C)s2)CC1 ZINC000290180457 433006548 /nfs/dbraw/zinc/00/65/48/433006548.db2.gz GAWRWIOMALHVEP-UHFFFAOYSA-N 0 3 306.475 3.146 20 30 DGEDHN CC(C)N1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280229657 433018232 /nfs/dbraw/zinc/01/82/32/433018232.db2.gz JRXKFOCGPNCDPD-UHFFFAOYSA-N 0 3 313.445 3.044 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297864587 433025113 /nfs/dbraw/zinc/02/51/13/433025113.db2.gz QODWRHGYTQCNPD-KRWDZBQOSA-N 0 3 300.446 3.322 20 30 DGEDHN C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000298097046 433049355 /nfs/dbraw/zinc/04/93/55/433049355.db2.gz KVEVVYDVJXZCSL-UIBIWLFHSA-N 0 3 313.445 3.409 20 30 DGEDHN COc1ccc([C@@H](O)C2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000298074301 433046614 /nfs/dbraw/zinc/04/66/14/433046614.db2.gz HFMVFFBVKRFJEC-KBXCAEBGSA-N 0 3 302.418 3.133 20 30 DGEDHN N#Cc1cccc(CCNCc2nccn2Cc2ccccc2)c1 ZINC000341448498 433062566 /nfs/dbraw/zinc/06/25/66/433062566.db2.gz BIGVTFLBIKKSRE-UHFFFAOYSA-N 0 3 316.408 3.135 20 30 DGEDHN C#C[C@@H](CC)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000491813143 433069844 /nfs/dbraw/zinc/06/98/44/433069844.db2.gz GORJBQCUSLEHTJ-LBPRGKRZSA-N 0 3 301.308 3.138 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425063955 433089079 /nfs/dbraw/zinc/08/90/79/433089079.db2.gz GPRFKYODTDKCPL-GOEBONIOSA-N 0 3 316.470 3.131 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000453367749 433124205 /nfs/dbraw/zinc/12/42/05/433124205.db2.gz RUCHDXXUILPCRB-BMFZPTHFSA-N 0 3 305.418 3.478 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000453375072 433128636 /nfs/dbraw/zinc/12/86/36/433128636.db2.gz XIXPPDIOPXZWPP-IPELMVKDSA-N 0 3 311.429 3.316 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453379523 433135960 /nfs/dbraw/zinc/13/59/60/433135960.db2.gz YRTTYUGPNZVARV-MLGOLLRUSA-N 0 3 304.390 3.234 20 30 DGEDHN CN(C(=O)[C@H]1CCN(Cc2ccc(C#N)cc2)C1)c1ccccc1 ZINC000280716162 433147944 /nfs/dbraw/zinc/14/79/44/433147944.db2.gz HTYOFUKEOGBYHV-SFHVURJKSA-N 0 3 319.408 3.043 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000425129692 433105805 /nfs/dbraw/zinc/10/58/05/433105805.db2.gz MKRLNAFRIFOFSI-HNNXBMFYSA-N 0 3 321.424 3.453 20 30 DGEDHN Cc1nsc(NC[C@H](C(C)C)N2CCC(C)CC2)c1C#N ZINC000341525379 433112643 /nfs/dbraw/zinc/11/26/43/433112643.db2.gz LJXNXXKUKCRFOD-OAHLLOKOSA-N 0 3 306.479 3.492 20 30 DGEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000290605402 433113465 /nfs/dbraw/zinc/11/34/65/433113465.db2.gz ZNTYGHNRXMLEEE-QGZVFWFLSA-N 0 3 322.368 3.153 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)CCOc2cccc(C#N)c2)C12CCC2 ZINC000341617020 433167971 /nfs/dbraw/zinc/16/79/71/433167971.db2.gz DOXGSMXZUGKKKI-ROUUACIJSA-N 0 3 314.429 3.217 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cccnc1C#N ZINC000290806439 433174991 /nfs/dbraw/zinc/17/49/91/433174991.db2.gz QNXQIEUSIIDDFQ-DOTOQJQBSA-N 0 3 306.413 3.276 20 30 DGEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374179455 433180601 /nfs/dbraw/zinc/18/06/01/433180601.db2.gz TUCXJJOQLLLCAR-SCUASFONSA-N 0 3 302.256 3.157 20 30 DGEDHN CCOc1c(OC)cc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000361466092 433186656 /nfs/dbraw/zinc/18/66/56/433186656.db2.gz YXAMPHQXIXZWGE-DZGCQCFKSA-N 0 3 318.417 3.274 20 30 DGEDHN C[C@H]1CN(c2cccc3cnccc32)CCN1CCCCC#N ZINC000447395470 433197086 /nfs/dbraw/zinc/19/70/86/433197086.db2.gz SNYBSJDCWVVDKY-INIZCTEOSA-N 0 3 308.429 3.439 20 30 DGEDHN C=CC[C@@H](CO)CNCc1sc(C)cc1Br ZINC000453576106 433215006 /nfs/dbraw/zinc/21/50/06/433215006.db2.gz UYMCPLJZYGYIBT-SNVBAGLBSA-N 0 3 304.253 3.093 20 30 DGEDHN CC[C@@H](NCc1ccc(C(=O)NC)cc1)c1ccc(C#N)cc1 ZINC000447535733 433216924 /nfs/dbraw/zinc/21/69/24/433216924.db2.gz HZEGLWMAJVQISF-GOSISDBHSA-N 0 3 307.397 3.159 20 30 DGEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1cccs1 ZINC000298690780 433217263 /nfs/dbraw/zinc/21/72/63/433217263.db2.gz BGAMOVYXFTVRFS-HNNXBMFYSA-N 0 3 312.442 3.218 20 30 DGEDHN CC[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447563661 433225921 /nfs/dbraw/zinc/22/59/21/433225921.db2.gz RJMJMCJNPGCASZ-HKUYNNGSSA-N 0 3 319.408 3.404 20 30 DGEDHN C[S@@](=O)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341708524 433228586 /nfs/dbraw/zinc/22/85/86/433228586.db2.gz TUORTNBIJSEKTP-AUSIDOKSSA-N 0 3 324.449 3.463 20 30 DGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)N(C)C ZINC000298777921 433243800 /nfs/dbraw/zinc/24/38/00/433243800.db2.gz DKFDWSNRJZSZJG-NWDGAFQWSA-N 0 3 314.216 3.014 20 30 DGEDHN N#Cc1cnc(NC[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000413144960 433264147 /nfs/dbraw/zinc/26/41/47/433264147.db2.gz QUFHWOWKQZEQTK-INIZCTEOSA-N 0 3 310.376 3.169 20 30 DGEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)s1 ZINC000291705932 433322361 /nfs/dbraw/zinc/32/23/61/433322361.db2.gz ZJWYGCQFEAPFTP-OAHLLOKOSA-N 0 3 309.438 3.257 20 30 DGEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000361595049 433276949 /nfs/dbraw/zinc/27/69/49/433276949.db2.gz SCPCQXHLHFYXLL-SJKOYZFVSA-N 0 3 317.820 3.416 20 30 DGEDHN Cc1cccc(OC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425548252 433291650 /nfs/dbraw/zinc/29/16/50/433291650.db2.gz YFYHJEKVBGHULD-QFBILLFUSA-N 0 3 324.424 3.299 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000375122894 433366038 /nfs/dbraw/zinc/36/60/38/433366038.db2.gz DGTBKTUKYGWDEN-WMZOPIPTSA-N 0 3 312.457 3.063 20 30 DGEDHN C=CCOc1ccc(CNCc2cnc3c(c2)c(C)nn3C)cc1 ZINC000299563376 433373708 /nfs/dbraw/zinc/37/37/08/433373708.db2.gz LXQLIDHGWYCANF-UHFFFAOYSA-N 0 3 322.412 3.131 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@]2(C)Cc2ccc(F)cc2)C1=O ZINC000420934402 433332502 /nfs/dbraw/zinc/33/25/02/433332502.db2.gz XHXSTDRWEYUVRF-HKUYNNGSSA-N 0 3 316.420 3.010 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000375012099 433335154 /nfs/dbraw/zinc/33/51/54/433335154.db2.gz JUFLUECFPDZABM-SJORKVTESA-N 0 3 314.429 3.205 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000375012522 433335348 /nfs/dbraw/zinc/33/53/48/433335348.db2.gz LPWXIXRUDHLYKI-SJORKVTESA-N 0 3 314.429 3.205 20 30 DGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000350979733 433339095 /nfs/dbraw/zinc/33/90/95/433339095.db2.gz RUJADFFRYQDDAN-WMLDXEAASA-N 0 3 309.413 3.135 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447997106 433341483 /nfs/dbraw/zinc/34/14/83/433341483.db2.gz BVPFDTPQUIHUIK-MRXNPFEDSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@H](CNc1ccc(C#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000301128291 433425887 /nfs/dbraw/zinc/42/58/87/433425887.db2.gz YBMAICBDOBYVIE-QGZVFWFLSA-N 0 3 320.440 3.181 20 30 DGEDHN N#Cc1ccc(NC(=O)NCCN2CCCCCC2)c(Cl)c1 ZINC000426156193 433427647 /nfs/dbraw/zinc/42/76/47/433427647.db2.gz GFAQMFPJDJBKGG-UHFFFAOYSA-N 0 3 320.824 3.209 20 30 DGEDHN C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccn(C)n1 ZINC000414105383 433401070 /nfs/dbraw/zinc/40/10/70/433401070.db2.gz WDPSRVCTFSFGKN-ODIFPOPNSA-N 0 3 324.428 3.333 20 30 DGEDHN C=CCNC(=O)CN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414113100 433403644 /nfs/dbraw/zinc/40/36/44/433403644.db2.gz RNOSAOUPTYOICQ-ZBFHGGJFSA-N 0 3 306.837 3.258 20 30 DGEDHN CN(CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000361824549 433404044 /nfs/dbraw/zinc/40/40/44/433404044.db2.gz DXADQJURGVFIFH-UHFFFAOYSA-N 0 3 306.381 3.251 20 30 DGEDHN C=CCOCCCN1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421048218 433411101 /nfs/dbraw/zinc/41/11/01/433411101.db2.gz ZGBYGIQZAXXBKT-UHFFFAOYSA-N 0 3 305.418 3.261 20 30 DGEDHN Cn1cccc1[C@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000281886470 433416051 /nfs/dbraw/zinc/41/60/51/433416051.db2.gz DNFODUJDSOBKMB-QGZVFWFLSA-N 0 3 301.434 3.263 20 30 DGEDHN CCN(CCOCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000281900633 433421413 /nfs/dbraw/zinc/42/14/13/433421413.db2.gz BLVFSLBXSDUJMX-UHFFFAOYSA-N 0 3 324.424 3.056 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC2(C)C)CC1 ZINC000454455384 433435322 /nfs/dbraw/zinc/43/53/22/433435322.db2.gz BTUZYWBQOBBCLW-OAHLLOKOSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3c[nH]c4ccccc43)CC2)C1=O ZINC000281994624 433461996 /nfs/dbraw/zinc/46/19/96/433461996.db2.gz NCMLRBHTAATIGG-LJQANCHMSA-N 0 3 323.440 3.134 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000342080669 433459644 /nfs/dbraw/zinc/45/96/44/433459644.db2.gz GVGCWMITIYJWQX-WBVHZDCISA-N 0 3 303.450 3.333 20 30 DGEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1snc(Cl)c1C#N ZINC000301235900 433463523 /nfs/dbraw/zinc/46/35/23/433463523.db2.gz LWORZDOUCBQZRX-GMTAPVOTSA-N 0 3 312.870 3.446 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292102738 433464543 /nfs/dbraw/zinc/46/45/43/433464543.db2.gz GNYACKLAOANZQP-MRXNPFEDSA-N 0 3 312.417 3.126 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000248924167 290246378 /nfs/dbraw/zinc/24/63/78/290246378.db2.gz LHVQKONCNPUEMH-BJZITVGISA-N 0 3 323.440 3.095 20 30 DGEDHN COc1cc(CN(C)C2CC(OC(C)(C)C)C2)ccc1C#N ZINC000421372353 433514155 /nfs/dbraw/zinc/51/41/55/433514155.db2.gz MFMUVVXJMFIBBI-UHFFFAOYSA-N 0 3 302.418 3.345 20 30 DGEDHN N#CC1CCC(CNCc2c(Cl)nc3ccccn32)CC1 ZINC000282242873 433538924 /nfs/dbraw/zinc/53/89/24/433538924.db2.gz GCYBSVGWHOIRCG-UHFFFAOYSA-N 0 3 302.809 3.407 20 30 DGEDHN C[C@](CO)(CNCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000421404090 433548720 /nfs/dbraw/zinc/54/87/20/433548720.db2.gz XKHVBEITZXNWRV-LJQANCHMSA-N 0 3 312.388 3.028 20 30 DGEDHN COc1cc(Cl)cc(C[NH2+]CC2CCC(C#N)CC2)c1[O-] ZINC000282292653 433556673 /nfs/dbraw/zinc/55/66/73/433556673.db2.gz LTINFHQQIZTFHR-UHFFFAOYSA-N 0 3 308.809 3.474 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)CC1(SC)CCC1 ZINC000356063767 433561834 /nfs/dbraw/zinc/56/18/34/433561834.db2.gz WZFDSQTZFSTAQY-UHFFFAOYSA-N 0 3 304.459 3.292 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C(C)C)CC1 ZINC000426725989 433570907 /nfs/dbraw/zinc/57/09/07/433570907.db2.gz GJJVBLOEVVLGKL-MAUKXSAKSA-N 0 3 307.482 3.187 20 30 DGEDHN N#Cc1csc(CNC[C@H](CO)c2ccccc2Cl)c1 ZINC000342276695 433579500 /nfs/dbraw/zinc/57/95/00/433579500.db2.gz KNLSWAITGFEHPH-GFCCVEGCSA-N 0 3 306.818 3.139 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000448845413 433579909 /nfs/dbraw/zinc/57/99/09/433579909.db2.gz PVJAYJUWIQUXJZ-QFBILLFUSA-N 0 3 317.477 3.231 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000448845411 433580310 /nfs/dbraw/zinc/58/03/10/433580310.db2.gz PVJAYJUWIQUXJZ-APWZRJJASA-N 0 3 317.477 3.231 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000292730972 433591929 /nfs/dbraw/zinc/59/19/29/433591929.db2.gz GNQZWHOCWAEPDQ-UKRRQHHQSA-N 0 3 315.373 3.130 20 30 DGEDHN C=CCC[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccco1 ZINC000414324993 433542117 /nfs/dbraw/zinc/54/21/17/433542117.db2.gz JOQKDAPCFDZSCU-AWEZNQCLSA-N 0 3 311.447 3.091 20 30 DGEDHN C=C(CNC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000355461893 433548053 /nfs/dbraw/zinc/54/80/53/433548053.db2.gz PCEQAYKFMBZSPW-GOSISDBHSA-N 0 3 313.445 3.016 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000448966910 433633500 /nfs/dbraw/zinc/63/35/00/433633500.db2.gz GYCGCJVAJMJXKI-UHFFFAOYSA-N 0 3 310.507 3.067 20 30 DGEDHN Cc1nnc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C#N)c1C ZINC000301620420 433642008 /nfs/dbraw/zinc/64/20/08/433642008.db2.gz MMDAMCPLZGWHSR-DYVFJYSZSA-N 0 3 321.428 3.040 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000427003309 433642332 /nfs/dbraw/zinc/64/23/32/433642332.db2.gz VMZSJFSMAKQFAA-SFHVURJKSA-N 0 3 300.446 3.291 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1OC ZINC000282425069 433604859 /nfs/dbraw/zinc/60/48/59/433604859.db2.gz SWDBIOWIIRMGES-GOEBONIOSA-N 0 3 305.418 3.259 20 30 DGEDHN N#Cc1ccc(CNC[C@H](CO)c2ccccc2Cl)s1 ZINC000342312075 433609411 /nfs/dbraw/zinc/60/94/11/433609411.db2.gz JYOXXLPXJLQRFO-LLVKDONJSA-N 0 3 306.818 3.139 20 30 DGEDHN CC#CCCCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456351871 433610598 /nfs/dbraw/zinc/61/05/98/433610598.db2.gz XHWWKPGOUOKWGW-SFHVURJKSA-N 0 3 312.457 3.161 20 30 DGEDHN N#Cc1csc(CNCCc2cc(C(F)(F)F)ccn2)c1 ZINC000339482474 433612143 /nfs/dbraw/zinc/61/21/43/433612143.db2.gz JOUBKGCWYIOFJQ-UHFFFAOYSA-N 0 3 311.332 3.366 20 30 DGEDHN C=CCOCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000293090996 433614233 /nfs/dbraw/zinc/61/42/33/433614233.db2.gz NCIXSOOAWAVGGG-KRWDZBQOSA-N 0 3 309.837 3.288 20 30 DGEDHN COc1cc(N2CCN(CC(C)(C)CCC#N)CC2)ccc1F ZINC000283133515 433674610 /nfs/dbraw/zinc/67/46/10/433674610.db2.gz WFJYJUPEPSYWQH-UHFFFAOYSA-N 0 3 319.424 3.286 20 30 DGEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000362335765 433652036 /nfs/dbraw/zinc/65/20/36/433652036.db2.gz MCOGKDZNFXCICL-AUUYWEPGSA-N 0 3 324.428 3.357 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C)(C)C1 ZINC000362408921 433701534 /nfs/dbraw/zinc/70/15/34/433701534.db2.gz DDASNWXCXBLLFW-SWKXRBFHSA-N 0 3 305.466 3.038 20 30 DGEDHN C=CCCCC[C@@H](C)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000449053999 433713069 /nfs/dbraw/zinc/71/30/69/433713069.db2.gz DLARQUOJQDCAQX-CQSZACIVSA-N 0 3 303.450 3.394 20 30 DGEDHN C=CCN1CCC(Nc2nc(CC)nc3sccc32)CC1 ZINC000301820613 433739506 /nfs/dbraw/zinc/73/95/06/433739506.db2.gz JOTHBYZEYDDIEI-UHFFFAOYSA-N 0 3 302.447 3.316 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCC3)CC2)cc1 ZINC000376438750 433740192 /nfs/dbraw/zinc/74/01/92/433740192.db2.gz YVZFEVYYBBEDOF-QGZVFWFLSA-N 0 3 307.397 3.033 20 30 DGEDHN CC[C@](CNCc1cccc(C#N)c1)(C(=O)OC)c1ccccc1 ZINC000414586488 433740464 /nfs/dbraw/zinc/74/04/64/433740464.db2.gz LKFPCRNWTSHEHE-HXUWFJFHSA-N 0 3 322.408 3.169 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H](O)CC ZINC000449652910 433760084 /nfs/dbraw/zinc/76/00/84/433760084.db2.gz YTPGKRGPMTZXDZ-KGLIPLIRSA-N 0 3 300.324 3.216 20 30 DGEDHN C=CCc1cc(CN2CCCC[C@@H]2COC)cc(OC)c1O ZINC000449756594 433769559 /nfs/dbraw/zinc/76/95/59/433769559.db2.gz BMVSHTPTCMHIDP-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000293393577 433725486 /nfs/dbraw/zinc/72/54/86/433725486.db2.gz GZUFPCTVRGUKIC-CYBMUJFWSA-N 0 3 316.417 3.459 20 30 DGEDHN CCC(C)(C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000362601137 433781634 /nfs/dbraw/zinc/78/16/34/433781634.db2.gz OEXYWJYVSMWHEG-UHFFFAOYSA-N 0 3 315.461 3.275 20 30 DGEDHN CCC[C@H]1CN(c2ccc(Cl)cc2C#N)CCN1CCOC ZINC000301926216 433798508 /nfs/dbraw/zinc/79/85/08/433798508.db2.gz MVARAJGRXBHZMP-INIZCTEOSA-N 0 3 321.852 3.149 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000362641762 433805639 /nfs/dbraw/zinc/80/56/39/433805639.db2.gz OJAAZSZYOISAJC-HUUCEWRRSA-N 0 3 301.434 3.086 20 30 DGEDHN C=C(C)COCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302105106 433813170 /nfs/dbraw/zinc/81/31/70/433813170.db2.gz WZZQPIZMEPQJTJ-UHFFFAOYSA-N 0 3 301.346 3.456 20 30 DGEDHN CC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978149 433831505 /nfs/dbraw/zinc/83/15/05/433831505.db2.gz NAEKYWGEDPOGAZ-CRAIPNDOSA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(C#N)cc1F ZINC000343827284 433835749 /nfs/dbraw/zinc/83/57/49/433835749.db2.gz AKJLPXONOGPBQG-ASTDHERZSA-N 0 3 300.377 3.306 20 30 DGEDHN C=C(C)COCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433289860 433849510 /nfs/dbraw/zinc/84/95/10/433849510.db2.gz RIMVGRYKKOXJKB-INIZCTEOSA-N 0 3 304.390 3.500 20 30 DGEDHN CCOc1ccc([C@H](COC)NCCCSCC#N)cc1 ZINC000284921125 433907096 /nfs/dbraw/zinc/90/70/96/433907096.db2.gz XSVGAFPEJBXUKT-INIZCTEOSA-N 0 3 308.447 3.009 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000436297938 433935587 /nfs/dbraw/zinc/93/55/87/433935587.db2.gz XORRTUBXCUYQHH-VFVRVIDISA-N 0 3 323.408 3.475 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000362947086 433917918 /nfs/dbraw/zinc/91/79/18/433917918.db2.gz GQJUFBCHCRSILT-UHFFFAOYSA-N 0 3 311.429 3.282 20 30 DGEDHN C=CCc1cc(CN2CCC[C@H]2[C@H]2CCCO2)cc(OC)c1O ZINC000285247603 433921482 /nfs/dbraw/zinc/92/14/82/433921482.db2.gz SSUQZGFRNAWITO-DLBZAZTESA-N 0 3 317.429 3.273 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)[C@@](C)(C#N)CC)c1ccsc1 ZINC000285274611 433923636 /nfs/dbraw/zinc/92/36/36/433923636.db2.gz UACAELUBZJUHRU-GOEBONIOSA-N 0 3 307.463 3.187 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000284438745 433894504 /nfs/dbraw/zinc/89/45/04/433894504.db2.gz SOFWURZMJNUVLI-DZKIICNBSA-N 0 3 320.458 3.213 20 30 DGEDHN CCOC1CC2(C1)CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000377692262 433961570 /nfs/dbraw/zinc/96/15/70/433961570.db2.gz BLXHHVNMAWLETK-MNNVXMFVSA-N 0 3 314.429 3.368 20 30 DGEDHN CN1C[C@@H](CNCc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000436410690 433961737 /nfs/dbraw/zinc/96/17/37/433961737.db2.gz KLMKYDOAZWLWOF-OAHLLOKOSA-N 0 3 309.388 3.096 20 30 DGEDHN CSc1ccc([C@@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000294172702 434028050 /nfs/dbraw/zinc/02/80/50/434028050.db2.gz SBHFOLIMWOCXSM-MRXNPFEDSA-N 0 3 312.442 3.390 20 30 DGEDHN CC1(C)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000352408641 434044036 /nfs/dbraw/zinc/04/40/36/434044036.db2.gz ZRQZZTUHPIPOKT-QGZVFWFLSA-N 0 3 311.429 3.176 20 30 DGEDHN CC1(C)C[C@H](CNC(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000457194358 434044668 /nfs/dbraw/zinc/04/46/68/434044668.db2.gz XHQHFNPTZMTGJL-SJORKVTESA-N 0 3 314.429 3.080 20 30 DGEDHN CN(C)[C@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000416231432 434065503 /nfs/dbraw/zinc/06/55/03/434065503.db2.gz BLXLSFJZXALBNB-MRXNPFEDSA-N 0 3 301.434 3.126 20 30 DGEDHN COc1cc(CNCc2ccc(OC(F)F)cc2)ccc1C#N ZINC000353230137 434071775 /nfs/dbraw/zinc/07/17/75/434071775.db2.gz SIICTSFNWBMIQL-UHFFFAOYSA-N 0 3 318.323 3.458 20 30 DGEDHN Cc1ccc([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])N(C)C)cc1 ZINC000450287530 434080442 /nfs/dbraw/zinc/08/04/42/434080442.db2.gz RDYOSPMNRZKRRH-KRWDZBQOSA-N 0 3 324.384 3.490 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000294590406 434123363 /nfs/dbraw/zinc/12/33/63/434123363.db2.gz CBJRGOVURFEBAN-UHFFFAOYSA-N 0 3 312.457 3.248 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(C#N)o2)CC1 ZINC000340437829 434132052 /nfs/dbraw/zinc/13/20/52/434132052.db2.gz RCUSWUIFWDENGF-AWEZNQCLSA-N 0 3 323.396 3.107 20 30 DGEDHN C[C@H](NCCC(=O)NC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000346133135 434137026 /nfs/dbraw/zinc/13/70/26/434137026.db2.gz OZAPVRSZOOTFFT-ZDUSSCGKSA-N 0 3 317.408 3.187 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000457450637 434176629 /nfs/dbraw/zinc/17/66/29/434176629.db2.gz HYLFUAGBWUZHAO-AWEZNQCLSA-N 0 3 307.463 3.150 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCCC[C@H]1C[C@H](C)O ZINC000286202891 434194839 /nfs/dbraw/zinc/19/48/39/434194839.db2.gz XZFDVJBJGWEPFA-YOEHRIQHSA-N 0 3 302.418 3.082 20 30 DGEDHN C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(C#N)c(F)c1 ZINC000346205823 434198637 /nfs/dbraw/zinc/19/86/37/434198637.db2.gz VTAZHCDXBWBYAX-ZDUSSCGKSA-N 0 3 321.359 3.129 20 30 DGEDHN C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000295174926 434242951 /nfs/dbraw/zinc/24/29/51/434242951.db2.gz UVFWDPRIIJLSAS-LBPRGKRZSA-N 0 3 323.462 3.403 20 30 DGEDHN Cc1c(C#N)c(N2CC[C@@]3(C2)CCCN(C)C3)nc2ccccc12 ZINC000450543944 434252973 /nfs/dbraw/zinc/25/29/73/434252973.db2.gz LOQTVNURGBTDDD-FQEVSTJZSA-N 0 3 320.440 3.337 20 30 DGEDHN CN1CCC(Oc2ccc(CNc3ccc(C#N)cn3)cc2)CC1 ZINC000286400632 434258727 /nfs/dbraw/zinc/25/87/27/434258727.db2.gz JSEWOHQIURMELX-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN C[C@@H](NC[C@](C)(CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000348285885 434287840 /nfs/dbraw/zinc/28/78/40/434287840.db2.gz XKOGMZBUJPSDGL-AUUYWEPGSA-N 0 3 312.388 3.298 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1CCC(CO)CC1 ZINC000340701531 434312832 /nfs/dbraw/zinc/31/28/32/434312832.db2.gz VRYJQKGBIPEOFL-UHFFFAOYSA-N 0 3 324.371 3.143 20 30 DGEDHN C[C@H](C(=O)NCCc1cnc(C2CC2)nc1)N1[C@H](C)CC[C@@H]1C ZINC000328881108 434319322 /nfs/dbraw/zinc/31/93/22/434319322.db2.gz WHUNWQUEANIKJR-HZSPNIEDSA-N 0 3 316.449 3.114 20 30 DGEDHN Cc1nc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000388237588 434330912 /nfs/dbraw/zinc/33/09/12/434330912.db2.gz ZEEWKUWFCRTZAC-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN C[C@H]1CCC[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000340803510 434367387 /nfs/dbraw/zinc/36/73/87/434367387.db2.gz GPZINUVTVCXQLD-HOTGVXAUSA-N 0 3 305.466 3.182 20 30 DGEDHN C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390652580 434367544 /nfs/dbraw/zinc/36/75/44/434367544.db2.gz YSEXMFMAKUQOQB-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN CC(C)Oc1ccc([C@@H](CNc2cccc(C#N)n2)N(C)C)cc1 ZINC000340847713 434387298 /nfs/dbraw/zinc/38/72/98/434387298.db2.gz IXASSYFQPBQZNW-GOSISDBHSA-N 0 3 324.428 3.455 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000358231114 434388824 /nfs/dbraw/zinc/38/88/24/434388824.db2.gz OUVYEMQQGJUGOH-XCBNKYQSSA-N 0 3 322.233 3.167 20 30 DGEDHN O=C(Nc1ccc(OCC2CC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000329305660 434390015 /nfs/dbraw/zinc/39/00/15/434390015.db2.gz OYKOZDOFBMOPJE-OAHLLOKOSA-N 0 3 315.417 3.038 20 30 DGEDHN COCCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000287398833 434352098 /nfs/dbraw/zinc/35/20/98/434352098.db2.gz JBHUIXQAPXMZLH-SJORKVTESA-N 0 3 302.418 3.274 20 30 DGEDHN CC[C@H](C)N[C@@H](CNc1snc(C)c1C#N)c1ccco1 ZINC000340941897 434442740 /nfs/dbraw/zinc/44/27/40/434442740.db2.gz CRKISFBTBVTAKO-GWCFXTLKSA-N 0 3 304.419 3.458 20 30 DGEDHN Cc1nc(NC[C@H](C(C)C)N2CCCC2)c(Cl)cc1C#N ZINC000359843057 434446617 /nfs/dbraw/zinc/44/66/17/434446617.db2.gz QMKFXIBDZDEDJT-OAHLLOKOSA-N 0 3 306.841 3.447 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000287639799 434417299 /nfs/dbraw/zinc/41/72/99/434417299.db2.gz GEBVBVZGYDMFKS-HNAYVOBHSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCC1(C(=O)Nc2cccc(OCCN(C)C)c2)CCC1 ZINC000359453447 434418716 /nfs/dbraw/zinc/41/87/16/434418716.db2.gz FSFBRWMTIKDTLF-UHFFFAOYSA-N 0 3 302.418 3.312 20 30 DGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000359478078 434419026 /nfs/dbraw/zinc/41/90/26/434419026.db2.gz XJSZZYBRVRBBDS-CJNGLKHVSA-N 0 3 310.401 3.440 20 30 DGEDHN Cn1cc(CN[C@H]2CCC[C@@H]2OCc2ccccc2)cc1C#N ZINC000359674951 434423355 /nfs/dbraw/zinc/42/33/55/434423355.db2.gz GOSFGYYPTNSDHJ-OALUTQOASA-N 0 3 309.413 3.124 20 30 DGEDHN C[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000423444492 434430163 /nfs/dbraw/zinc/43/01/63/434430163.db2.gz XQZZFOVDHFTJJZ-YJYMSZOUSA-N 0 3 309.388 3.235 20 30 DGEDHN CC(C)Cc1ccc([C@@H](CNc2nccnc2C#N)N(C)C)cc1 ZINC000340924473 434435914 /nfs/dbraw/zinc/43/59/14/434435914.db2.gz CSIGQEIDOQSAQF-GOSISDBHSA-N 0 3 323.444 3.262 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)NCCN2CC=C(C)CC2)n1 ZINC000329704485 434461951 /nfs/dbraw/zinc/46/19/51/434461951.db2.gz IUXLIQISDFNIIJ-MRXNPFEDSA-N 0 3 304.438 3.060 20 30 DGEDHN C=C[C@@H](CO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295998114 434468912 /nfs/dbraw/zinc/46/89/12/434468912.db2.gz KSTNAIDVRCGECH-HNNXBMFYSA-N 0 3 302.443 3.021 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000296024429 434481904 /nfs/dbraw/zinc/48/19/04/434481904.db2.gz PSDQGHALNQAWFU-GVDBMIGSSA-N 0 3 302.466 3.177 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)Cc1ccsc1)OCC ZINC000458211953 434530132 /nfs/dbraw/zinc/53/01/32/434530132.db2.gz AZANSECNQRCKBG-MRXNPFEDSA-N 0 3 324.490 3.010 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000348926860 434557560 /nfs/dbraw/zinc/55/75/60/434557560.db2.gz YTIUPKBSKGVYNZ-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccccc1C(=O)N(C)C ZINC000417975237 434559626 /nfs/dbraw/zinc/55/96/26/434559626.db2.gz DOVHKHYLCTWUFY-UHFFFAOYSA-N 0 3 312.413 3.212 20 30 DGEDHN CC(C)[C@]1(CO)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000367969116 434564051 /nfs/dbraw/zinc/56/40/51/434564051.db2.gz ZRVLVNCILUYUDM-LJQANCHMSA-N 0 3 316.445 3.210 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(Cl)c1 ZINC000451487114 434572012 /nfs/dbraw/zinc/57/20/12/434572012.db2.gz GCHWZWVYCCJATD-NUEKZKHPSA-N 0 3 302.805 3.259 20 30 DGEDHN C=CCC[C@H](N[C@H]1CCCc2cn(CCOC)nc21)C1CC1 ZINC000368189600 434568563 /nfs/dbraw/zinc/56/85/63/434568563.db2.gz RBQATAAJIKQAJZ-IRXDYDNUSA-N 0 3 303.450 3.241 20 30 DGEDHN CC[C@H]1CN(CC)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451730163 434577780 /nfs/dbraw/zinc/57/77/80/434577780.db2.gz NIFYZXLXIFUTFF-KRWDZBQOSA-N 0 3 324.390 3.473 20 30 DGEDHN CN(C)CCN(Cc1cc(C#N)cs1)Cc1cccc(F)c1 ZINC000349061325 434591749 /nfs/dbraw/zinc/59/17/49/434591749.db2.gz IUSKZZWNXONDOP-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN CCCc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424071032 434614990 /nfs/dbraw/zinc/61/49/90/434614990.db2.gz YWNGSUTWPSISMU-ROUUACIJSA-N 0 3 315.461 3.474 20 30 DGEDHN CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424092927 434619398 /nfs/dbraw/zinc/61/93/98/434619398.db2.gz QWZZKKCQOAJCJZ-JKSUJKDBSA-N 0 3 319.424 3.440 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000424087760 434619729 /nfs/dbraw/zinc/61/97/29/434619729.db2.gz INXZHFWUUHEJFE-GOSISDBHSA-N 0 3 323.396 3.116 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000424096314 434619829 /nfs/dbraw/zinc/61/98/29/434619829.db2.gz OWLRMHPCGACRSG-QGZVFWFLSA-N 0 3 317.408 3.118 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NC(c1cccs1)c1cccs1 ZINC000424129523 434631357 /nfs/dbraw/zinc/63/13/57/434631357.db2.gz SCRIAJTWZQSGJD-LLVKDONJSA-N 0 3 319.455 3.036 20 30 DGEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Oc1cccnc1 ZINC000424158147 434638277 /nfs/dbraw/zinc/63/82/77/434638277.db2.gz QQMRFPNKGDDRAS-INIZCTEOSA-N 0 3 324.384 3.142 20 30 DGEDHN CN(c1ccccc1NC(=O)[C@H](N)CCCC#N)C1CCCC1 ZINC000424155139 434638879 /nfs/dbraw/zinc/63/88/79/434638879.db2.gz NMHAYCHWNSCDJD-OAHLLOKOSA-N 0 3 314.433 3.025 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H](C)CCCc1cccnc1 ZINC000459644694 434643540 /nfs/dbraw/zinc/64/35/40/434643540.db2.gz XKILJXAFOADKQU-OAHLLOKOSA-N 0 3 309.413 3.463 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](Cc2ccccc2)c2ccccc2)C1=O ZINC000410416231 434644431 /nfs/dbraw/zinc/64/44/31/434644431.db2.gz GNOOQTPHSQJRLS-VQTJNVASSA-N 0 3 320.436 3.347 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000369617925 434598713 /nfs/dbraw/zinc/59/87/13/434598713.db2.gz SRPXRLVPINPVEM-LPHOPBHVSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000369617924 434599059 /nfs/dbraw/zinc/59/90/59/434599059.db2.gz SRPXRLVPINPVEM-APWZRJJASA-N 0 3 315.461 3.162 20 30 DGEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCC2)c(C)c1OC ZINC000418142332 434603638 /nfs/dbraw/zinc/60/36/38/434603638.db2.gz MUQRKOPUOXOHHH-CYBMUJFWSA-N 0 3 302.418 3.227 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000370300839 434611295 /nfs/dbraw/zinc/61/12/95/434611295.db2.gz YUXNHPDXKAFGHI-LJQANCHMSA-N 0 3 315.461 3.116 20 30 DGEDHN CC(C)c1ccc(CN(C(=O)[C@@H](N)CCCC#N)C2CC2)cc1 ZINC000424064420 434611729 /nfs/dbraw/zinc/61/17/29/434611729.db2.gz KABPHNRUJFWTDA-SFHVURJKSA-N 0 3 313.445 3.322 20 30 DGEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H](OCC)C2)ccc1OC ZINC000459648932 434647632 /nfs/dbraw/zinc/64/76/32/434647632.db2.gz QDHITVYTQFDGEL-IYBDPMFKSA-N 0 3 305.418 3.307 20 30 DGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2nccn2C)cc1 ZINC000424327939 434699002 /nfs/dbraw/zinc/69/90/02/434699002.db2.gz NIVABJGSMLSZBV-HLLBOEOZSA-N 0 3 324.428 3.342 20 30 DGEDHN CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(C#N)cc1 ZINC000424189461 434652107 /nfs/dbraw/zinc/65/21/07/434652107.db2.gz NHUOXQPOGPSITL-UHFFFAOYSA-N 0 3 302.418 3.406 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)C1(c2ccccc2)CCCC1 ZINC000424196529 434654323 /nfs/dbraw/zinc/65/43/23/434654323.db2.gz ZXQRDOURZMJGFS-DOTOQJQBSA-N 0 3 313.445 3.024 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360632242 434655193 /nfs/dbraw/zinc/65/51/93/434655193.db2.gz IGXXZSGCZQEEMP-DLBZAZTESA-N 0 3 319.493 3.287 20 30 DGEDHN CCc1nn(C)cc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360645766 434657860 /nfs/dbraw/zinc/65/78/60/434657860.db2.gz FQZLADRWKMKMOT-LJQANCHMSA-N 0 3 308.429 3.411 20 30 DGEDHN C=CC1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502779 434666523 /nfs/dbraw/zinc/66/65/23/434666523.db2.gz VZMOHELTUOKCMZ-LJQANCHMSA-N 0 3 323.440 3.447 20 30 DGEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1ccccc1C(F)(F)F ZINC000439986788 434670378 /nfs/dbraw/zinc/67/03/78/434670378.db2.gz IRMCPPOPHVXXBW-GHMZBOCLSA-N 0 3 314.307 3.139 20 30 DGEDHN Cc1cc(CN(CCN(C)C)Cc2cccs2)ccc1C#N ZINC000349316151 434672258 /nfs/dbraw/zinc/67/22/58/434672258.db2.gz NHQLAYIHQHBOFN-UHFFFAOYSA-N 0 3 313.470 3.492 20 30 DGEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)nn1 ZINC000424291594 434681834 /nfs/dbraw/zinc/68/18/34/434681834.db2.gz DUTYRXFIDQGAFH-IAGOWNOFSA-N 0 3 300.381 3.029 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000411072494 434711275 /nfs/dbraw/zinc/71/12/75/434711275.db2.gz UHBMVLBUDLAFBX-ROUUACIJSA-N 0 3 309.413 3.326 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(C)n1)C(C)C ZINC000360893571 434723517 /nfs/dbraw/zinc/72/35/17/434723517.db2.gz MIKKDOHWJGRYGQ-MRXNPFEDSA-N 0 3 316.449 3.210 20 30 DGEDHN COc1cc(CNC[C@@H](c2ccc(C)cc2)N(C)C)ccc1C#N ZINC000440805908 434743792 /nfs/dbraw/zinc/74/37/92/434743792.db2.gz QFROSNNAQDZJMN-IBGZPJMESA-N 0 3 323.440 3.268 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460381208 434756284 /nfs/dbraw/zinc/75/62/84/434756284.db2.gz BXYLIRMRMXTINT-HOTGVXAUSA-N 0 3 319.497 3.116 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000424673330 434776150 /nfs/dbraw/zinc/77/61/50/434776150.db2.gz YQQHPJRYHWMMFS-KRWDZBQOSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000424789234 434803151 /nfs/dbraw/zinc/80/31/51/434803151.db2.gz WIDQBCVOKNMTQC-RDJZCZTQSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CCCC1(C)C ZINC000445128147 434790686 /nfs/dbraw/zinc/79/06/86/434790686.db2.gz DXYMBPDCEPGHJP-PMPSAXMXSA-N 0 3 307.482 3.245 20 30 DGEDHN C=CC[C@H]1N(CC(=O)N(C)Cc2ccco2)CCCC1(C)C ZINC000444784411 434791626 /nfs/dbraw/zinc/79/16/26/434791626.db2.gz NSWMLQYPFNYVCY-MRXNPFEDSA-N 0 3 304.434 3.305 20 30 DGEDHN Cc1cc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)c(C)o1 ZINC000411516780 434793849 /nfs/dbraw/zinc/79/38/49/434793849.db2.gz DDBHZRJXZZPASH-CYBMUJFWSA-N 0 3 311.385 3.448 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)N(C)C[C@@H]2C)ccc1OC ZINC000361166860 434818604 /nfs/dbraw/zinc/81/86/04/434818604.db2.gz OMJXVZOPBZXMOH-HOTGVXAUSA-N 0 3 318.461 3.175 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000372262718 434819012 /nfs/dbraw/zinc/81/90/12/434819012.db2.gz VJABUHNESUZZSW-ROUUACIJSA-N 0 3 300.402 3.026 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000372433585 434827279 /nfs/dbraw/zinc/82/72/79/434827279.db2.gz LINYFCUQUVHZAK-CQSZACIVSA-N 0 3 310.401 3.080 20 30 DGEDHN C=CCCc1noc(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000453247078 434841016 /nfs/dbraw/zinc/84/10/16/434841016.db2.gz NKNJJWYSNYCCBT-UHFFFAOYSA-N 0 3 315.442 3.404 20 30 DGEDHN CC1(C)CCCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000446061283 434844726 /nfs/dbraw/zinc/84/47/26/434844726.db2.gz PLEOCJGHSKTBCE-QGZVFWFLSA-N 0 3 311.429 3.176 20 30 DGEDHN CO[C@@](C)([C@@H](C)NCc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000411943994 434845931 /nfs/dbraw/zinc/84/59/31/434845931.db2.gz JHGSFDKNANWYSM-DIFFPNOSSA-N 0 3 324.371 3.453 20 30 DGEDHN CCN(CCC(=O)Nc1ccccc1C#N)Cc1occc1C ZINC000412025856 434856200 /nfs/dbraw/zinc/85/62/00/434856200.db2.gz KADHIXZNHORLMD-UHFFFAOYSA-N 0 3 311.385 3.310 20 30 DGEDHN CN(C)C/C=C/C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000491909926 434880085 /nfs/dbraw/zinc/88/00/85/434880085.db2.gz XPSBPIMZGBILAH-VMPITWQZSA-N 0 3 321.380 3.407 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3ccnc(C#N)c3)CC2)CC1 ZINC000553444002 434890907 /nfs/dbraw/zinc/89/09/07/434890907.db2.gz QXRRQYAHDXKWLY-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCN(CC2CCCCC2)CC1 ZINC000462381329 434910699 /nfs/dbraw/zinc/91/06/99/434910699.db2.gz URCZUGYEKWCEAR-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460971409 434866750 /nfs/dbraw/zinc/86/67/50/434866750.db2.gz YHZYKXIKXPDXDN-FUHWJXTLSA-N 0 3 314.473 3.365 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)cn2)[C@H](C)CN1Cc1ccccc1 ZINC000573930833 434937626 /nfs/dbraw/zinc/93/76/26/434937626.db2.gz DGCDYSGZNOGDMV-IAGOWNOFSA-N 0 3 320.440 3.048 20 30 DGEDHN Cn1cc(-c2ccc(CN3CCC(CC#N)CC3)s2)cn1 ZINC000555320201 434969347 /nfs/dbraw/zinc/96/93/47/434969347.db2.gz AZIWQIYQZJOZQJ-UHFFFAOYSA-N 0 3 300.431 3.274 20 30 DGEDHN C=CC[C@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000522645292 434927840 /nfs/dbraw/zinc/92/78/40/434927840.db2.gz MXULPEFEUNKPDU-DLBZAZTESA-N 0 3 314.473 3.410 20 30 DGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000522846728 434933646 /nfs/dbraw/zinc/93/36/46/434933646.db2.gz SAINAVRIEFMALW-SNVBAGLBSA-N 0 3 309.207 3.003 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000529044094 435031856 /nfs/dbraw/zinc/03/18/56/435031856.db2.gz JYFVZVZEFUEMCP-GWKJTUFKSA-N 0 3 304.415 3.256 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1Cc1ccccc1C ZINC000524483206 434979058 /nfs/dbraw/zinc/97/90/58/434979058.db2.gz IYEBQXCDZFDCLY-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN CC#CCN(C)Cc1ccc(Br)c2cccnc12 ZINC000555750765 434985945 /nfs/dbraw/zinc/98/59/45/434985945.db2.gz FJXFYNFYMWQOBR-UHFFFAOYSA-N 0 3 303.203 3.452 20 30 DGEDHN C[C@H](Cc1ccc(Br)cc1)NC[C@H](C#N)CCC#N ZINC000574858810 435002752 /nfs/dbraw/zinc/00/27/52/435002752.db2.gz BJLPAFQEOKIXOR-OCCSQVGLSA-N 0 3 320.234 3.413 20 30 DGEDHN C=CCCCCCN(C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000525273317 435004779 /nfs/dbraw/zinc/00/47/79/435004779.db2.gz DZRWBSMURVDPOZ-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN COc1ccc([C@H](CCC#N)NCCCCn2ccnc2)cc1 ZINC000575081950 435005028 /nfs/dbraw/zinc/00/50/28/435005028.db2.gz YNLQAQYVTYOKPD-SFHVURJKSA-N 0 3 312.417 3.307 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1C=CCCC1)C(C)C ZINC000466229259 435066730 /nfs/dbraw/zinc/06/67/30/435066730.db2.gz VTKPMNFJVBBDGH-IRXDYDNUSA-N 0 3 305.466 3.093 20 30 DGEDHN C=C[C@@H](CC(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1 ZINC000638670748 435067146 /nfs/dbraw/zinc/06/71/46/435067146.db2.gz JQBXWKVGOSFVID-HNNXBMFYSA-N 0 3 322.408 3.467 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000466381479 435073377 /nfs/dbraw/zinc/07/33/77/435073377.db2.gz BRZMURITLROIJX-GOSISDBHSA-N 0 3 317.477 3.423 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000466377877 435073499 /nfs/dbraw/zinc/07/34/99/435073499.db2.gz HVWWQAADTGPJLI-QGZVFWFLSA-N 0 3 303.450 3.115 20 30 DGEDHN CCC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000466463380 435078835 /nfs/dbraw/zinc/07/88/35/435078835.db2.gz GRRXMPIKURWONR-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(C#N)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000529751534 435040226 /nfs/dbraw/zinc/04/02/26/435040226.db2.gz KJOOBLGLTGWBCJ-RNFRBKRXSA-N 0 3 317.133 3.064 20 30 DGEDHN C=C[C@H](CC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000576043427 435054713 /nfs/dbraw/zinc/05/47/13/435054713.db2.gz MZFMMFCOWFQMCT-OAHLLOKOSA-N 0 3 322.408 3.467 20 30 DGEDHN C[C@@H](N[C@H]1CCC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558460962 435092092 /nfs/dbraw/zinc/09/20/92/435092092.db2.gz ZTAOLSZUVDXFJW-YGRLFVJLSA-N 0 3 317.458 3.214 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466928964 435100709 /nfs/dbraw/zinc/10/07/09/435100709.db2.gz LGOJGYWZGBNUSY-YJBOKZPZSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000466981771 435102857 /nfs/dbraw/zinc/10/28/57/435102857.db2.gz AOLQNIPPVPNBSY-SFHVURJKSA-N 0 3 315.461 3.041 20 30 DGEDHN C[C@H](NC[C@H](CO)Cc1ccco1)c1ccc(C#N)cc1Cl ZINC000578829453 435112146 /nfs/dbraw/zinc/11/21/46/435112146.db2.gz RRGHQFHUYCKGNK-GXTWGEPZSA-N 0 3 318.804 3.306 20 30 DGEDHN Cc1nc(NC[C@H](c2ccc(Cl)cc2)N(C)C)ccc1C#N ZINC000558996328 435118918 /nfs/dbraw/zinc/11/89/18/435118918.db2.gz YPCSTPZOUMGBLU-MRXNPFEDSA-N 0 3 314.820 3.630 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000494176611 435192708 /nfs/dbraw/zinc/19/27/08/435192708.db2.gz QNVABGVMNHFRFX-ZWKOTPCHSA-N 0 3 313.445 3.011 20 30 DGEDHN CN(C)[C@@H](CC(=O)Nc1ccccc1CC#N)c1ccccc1 ZINC000580093424 435205428 /nfs/dbraw/zinc/20/54/28/435205428.db2.gz GAIPQFHYFGTTHJ-SFHVURJKSA-N 0 3 307.397 3.384 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000474844799 435163510 /nfs/dbraw/zinc/16/35/10/435163510.db2.gz XAOIKQMLEOTRLU-IBGZPJMESA-N 0 3 315.461 3.342 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OC)c(O)cc1Cl ZINC000639149034 435174829 /nfs/dbraw/zinc/17/48/29/435174829.db2.gz VZFTWPJRDFNVAL-BDJLRTHQSA-N 0 3 311.809 3.125 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496397955 435213201 /nfs/dbraw/zinc/21/32/01/435213201.db2.gz IHSPPGGCOVKQMC-KKUMJFAQSA-N 0 3 309.454 3.304 20 30 DGEDHN CN(C)C(=O)O[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000496656017 435236359 /nfs/dbraw/zinc/23/63/59/435236359.db2.gz UTXYHZABJATNOO-OAHLLOKOSA-N 0 3 307.438 3.013 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000533400101 435234929 /nfs/dbraw/zinc/23/49/29/435234929.db2.gz FJNXORLPEWNOAV-SJORKVTESA-N 0 3 300.446 3.311 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000582316224 435239900 /nfs/dbraw/zinc/23/99/00/435239900.db2.gz GEKWQQLEAMBNSE-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000496749534 435250199 /nfs/dbraw/zinc/25/01/99/435250199.db2.gz BXSADLKHPPRYIF-KBPBESRZSA-N 0 3 307.438 3.106 20 30 DGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@@H](C#N)CCC#N)CC3 ZINC000562282327 435257605 /nfs/dbraw/zinc/25/76/05/435257605.db2.gz XVNYMDLZEKBVIM-CABCVRRESA-N 0 3 306.413 3.367 20 30 DGEDHN N#CCCC1CCN(CCOCCOc2ccccc2)CC1 ZINC000564915662 435274802 /nfs/dbraw/zinc/27/48/02/435274802.db2.gz LJLRAPWWEROOLK-UHFFFAOYSA-N 0 3 302.418 3.098 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)CN2CCCC#N ZINC000496962162 435278679 /nfs/dbraw/zinc/27/86/79/435278679.db2.gz YFAOEAMQMFGSRB-UHFFFAOYSA-N 0 3 307.438 3.059 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@H](N)Cc2ccccc21)c1ccccc1 ZINC000565604783 435279784 /nfs/dbraw/zinc/27/97/84/435279784.db2.gz YCNBWKSEVRBWAG-CRAIPNDOSA-N 0 3 306.409 3.263 20 30 DGEDHN Cc1ccc([C@H](CNc2nc(C#N)c(Cl)s2)N(C)C)cc1 ZINC000590574794 435299607 /nfs/dbraw/zinc/29/96/07/435299607.db2.gz CSUDAGLTMATGMH-ZDUSSCGKSA-N 0 3 320.849 3.691 20 30 DGEDHN N#Cc1ccccc1N1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000506357415 435308395 /nfs/dbraw/zinc/30/83/95/435308395.db2.gz RBABLFBWCDLWQH-UXHICEINSA-N 0 3 317.436 3.484 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1nc(C#N)c(Cl)s1 ZINC000596185492 435311905 /nfs/dbraw/zinc/31/19/05/435311905.db2.gz MIOJVVWWACKKSA-LLVKDONJSA-N 0 3 320.849 3.601 20 30 DGEDHN CC[C@H](C)N[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000596230074 435313088 /nfs/dbraw/zinc/31/30/88/435313088.db2.gz GFFLSDCYSRUTRS-ONGXEEELSA-N 0 3 324.837 3.802 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H]1C)C(C)C ZINC000481016567 435407213 /nfs/dbraw/zinc/40/72/13/435407213.db2.gz BHMMZRIVBCBYTN-IXDOHACOSA-N 0 3 307.482 3.125 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000648744946 435407403 /nfs/dbraw/zinc/40/74/03/435407403.db2.gz KSUREPLJXIDAAK-IMJJTQAJSA-N 0 3 305.418 3.306 20 30 DGEDHN CC(C)[C@@H](C(=O)N1CCC(CCC#N)CC1)N1CCCCC1 ZINC000567946043 435373678 /nfs/dbraw/zinc/37/36/78/435373678.db2.gz KMMWVDJCHGRLCQ-KRWDZBQOSA-N 0 3 305.466 3.039 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639662134 435384036 /nfs/dbraw/zinc/38/40/36/435384036.db2.gz AWCNOVOBJPMUPB-COMQUAJESA-N 0 3 319.367 3.247 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccccc2)CCCCC1 ZINC000515033298 435456334 /nfs/dbraw/zinc/45/63/34/435456334.db2.gz KCZOMIXPEVVPCE-INIZCTEOSA-N 0 3 300.446 3.169 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCCc2cccs2)CC1 ZINC000537678457 435461100 /nfs/dbraw/zinc/46/11/00/435461100.db2.gz NPKMOVYMVNVHTF-UHFFFAOYSA-N 0 3 321.490 3.020 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC(C2CCCC2)C1 ZINC000481719696 435438808 /nfs/dbraw/zinc/43/88/08/435438808.db2.gz DHZYCUAINYVWRG-LJQANCHMSA-N 0 3 315.457 3.277 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000644798222 435517146 /nfs/dbraw/zinc/51/71/46/435517146.db2.gz DRWUDESYZVZOHE-KRWDZBQOSA-N 0 3 300.446 3.322 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2OC(F)F)[C@H]2CCO[C@H]21 ZINC000569315988 435522841 /nfs/dbraw/zinc/52/28/41/435522841.db2.gz CDIMMLYHAJBTRA-BPLDGKMQSA-N 0 3 322.355 3.063 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(Cl)cc1Br ZINC000538124119 435481798 /nfs/dbraw/zinc/48/17/98/435481798.db2.gz IFAMSTNQSBKYST-JTQLQIEISA-N 0 3 318.642 3.377 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000539779603 435568673 /nfs/dbraw/zinc/56/86/73/435568673.db2.gz XOTGVJQQCDGFPQ-RYQLBKOJSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccccc1OC(F)(F)F ZINC000539297343 435543764 /nfs/dbraw/zinc/54/37/64/435543764.db2.gz RIFBNRLGZIURGW-NEPJUHHUSA-N 0 3 303.324 3.420 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000540556702 435608659 /nfs/dbraw/zinc/60/86/59/435608659.db2.gz MECJEDMARXBGGV-AEFFLSMTSA-N 0 3 317.477 3.203 20 30 DGEDHN C=CCOc1ccc(CNC[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000517558592 435599670 /nfs/dbraw/zinc/59/96/70/435599670.db2.gz ZHWUKSGCXUVUEA-SFHVURJKSA-N 0 3 315.388 3.084 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](C2CC2)C1)C(C)C ZINC000489842122 435650893 /nfs/dbraw/zinc/65/08/93/435650893.db2.gz NAZRGNNPGQSIFT-ROUUACIJSA-N 0 3 319.493 3.127 20 30 DGEDHN CCOC(=O)CC(C)(C)N(C)CC#Cc1cccc(Cl)c1 ZINC000490613579 435666845 /nfs/dbraw/zinc/66/68/45/435666845.db2.gz YSNMYDGLLKDDEQ-UHFFFAOYSA-N 0 3 307.821 3.355 20 30 DGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548075835 435667468 /nfs/dbraw/zinc/66/74/68/435667468.db2.gz VAKSDPAMIWFLHG-HNNXBMFYSA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@H]1CN(c2ccccc2CN2CCC(C)(C#N)CC2)CCO1 ZINC000297371250 300299596 /nfs/dbraw/zinc/29/95/96/300299596.db2.gz GMDLGECVBSUSNX-INIZCTEOSA-N 0 3 313.445 3.037 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1CCCN(C(C)C)CC1 ZINC000571395859 435702580 /nfs/dbraw/zinc/70/25/80/435702580.db2.gz NIPKEASCPRHZCW-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN CC(C)CN(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000520170275 435726909 /nfs/dbraw/zinc/72/69/09/435726909.db2.gz JTHRFDIJEGLZCH-LJQANCHMSA-N 0 3 315.461 3.199 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655779346 435792249 /nfs/dbraw/zinc/79/22/49/435792249.db2.gz JLKVRATVKIQLKR-MOPGFXCFSA-N 0 3 311.429 3.312 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000660599278 435821471 /nfs/dbraw/zinc/82/14/71/435821471.db2.gz HYOCCIJKZIMAQO-WMZOPIPTSA-N 0 3 319.493 3.461 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2c(CC)cc(C)cc2CC)CC1 ZINC000491710078 435800088 /nfs/dbraw/zinc/80/00/88/435800088.db2.gz RWBXKKDIHWLHBZ-UHFFFAOYSA-N 0 3 312.457 3.404 20 30 DGEDHN C=CC[C@H]1CC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000651749878 435814319 /nfs/dbraw/zinc/81/43/19/435814319.db2.gz MFRWZKCJZVVINK-WDEREUQCSA-N 0 3 312.335 3.377 20 30 DGEDHN C=CC[C@H]1CC[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000651661936 435780375 /nfs/dbraw/zinc/78/03/75/435780375.db2.gz LOBCKGXOZSUONG-BBRMVZONSA-N 0 3 301.434 3.004 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000660612954 435825361 /nfs/dbraw/zinc/82/53/61/435825361.db2.gz YSKASHZNLNSHIN-WNKDZCFJSA-N 0 3 305.466 3.142 20 30 DGEDHN C=CCCC1(CNC(=O)NC[C@H]2CCCN(C)C2)CCCC1 ZINC000660848448 435908177 /nfs/dbraw/zinc/90/81/77/435908177.db2.gz WWHWUPBXQYYKCG-MRXNPFEDSA-N 0 3 307.482 3.154 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000665385140 435964892 /nfs/dbraw/zinc/96/48/92/435964892.db2.gz WPZISBPCHUVGAD-BRWVUGGUSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000665392920 435965956 /nfs/dbraw/zinc/96/59/56/435965956.db2.gz JGMQWMAQOGVSLB-BBWFWOEESA-N 0 3 307.482 3.105 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(=O)n2c(C)csc2n1 ZINC000661118103 435972023 /nfs/dbraw/zinc/97/20/23/435972023.db2.gz WOHOGQQBKVNWMT-HIFRSBDPSA-N 0 3 317.458 3.289 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661192895 435992464 /nfs/dbraw/zinc/99/24/64/435992464.db2.gz AZARKLBIFRDTCC-QZTJIDSGSA-N 0 3 303.446 3.383 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000661009601 435943024 /nfs/dbraw/zinc/94/30/24/435943024.db2.gz KPVIVONNYKFLQB-UAGQMJEPSA-N 0 3 305.466 3.071 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(CCC)C2)c1 ZINC000665956044 436106903 /nfs/dbraw/zinc/10/69/03/436106903.db2.gz IYKPDHDSYMPNOM-INIZCTEOSA-N 0 3 317.433 3.247 20 30 DGEDHN C=CCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000661571304 436109986 /nfs/dbraw/zinc/10/99/86/436109986.db2.gz SJPCIDBUAHJBIZ-UKRRQHHQSA-N 0 3 307.463 3.006 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(F)ccc1OC(F)F ZINC000657455672 436209401 /nfs/dbraw/zinc/20/94/01/436209401.db2.gz WKCFKGQQDQRFLL-NHYWBVRUSA-N 0 3 315.335 3.498 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H]2CCCCO2)CC1 ZINC000661870560 436218419 /nfs/dbraw/zinc/21/84/19/436218419.db2.gz JSKFPOGLJZRLSO-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657484603 436222634 /nfs/dbraw/zinc/22/26/34/436222634.db2.gz FXAUDVSTRCEAIX-MRXNPFEDSA-N 0 3 316.376 3.430 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(F)c1OC(F)F ZINC000657495755 436226631 /nfs/dbraw/zinc/22/66/31/436226631.db2.gz LYDUKBZJEMGYMZ-GWCFXTLKSA-N 0 3 301.308 3.108 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCc1ccccc1C ZINC000662079696 436268176 /nfs/dbraw/zinc/26/81/76/436268176.db2.gz LODFJJJPVKEIFQ-QRQLOZEOSA-N 0 3 312.457 3.225 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000662079612 436268286 /nfs/dbraw/zinc/26/82/86/436268286.db2.gz HTICDUBKKNRCMJ-ZYSHUDEJSA-N 0 3 310.441 3.143 20 30 DGEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657954109 436346788 /nfs/dbraw/zinc/34/67/88/436346788.db2.gz VKAUWAUXAWQXDO-GDBMZVCRSA-N 0 3 306.837 3.258 20 30 DGEDHN C=CCOCCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000658210180 436400578 /nfs/dbraw/zinc/40/05/78/436400578.db2.gz PDKMNNBSZHNFAH-CYBMUJFWSA-N 0 3 320.824 3.164 20 30 DGEDHN C=CCC1(NC(=O)Nc2ccc3c(c2F)CCNC3)CCCC1 ZINC000659021746 436458634 /nfs/dbraw/zinc/45/86/34/436458634.db2.gz HWALZHUWBJXZCZ-UHFFFAOYSA-N 0 3 317.408 3.482 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000659022392 436459946 /nfs/dbraw/zinc/45/99/46/436459946.db2.gz QBBOHOIMIUSRKH-ZDUSSCGKSA-N 0 3 317.408 3.291 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)c2c(C3CC3)cnn2C)n1 ZINC000659115441 436462502 /nfs/dbraw/zinc/46/25/02/436462502.db2.gz WCCBBYSMGLTVDV-LLVKDONJSA-N 0 3 314.414 3.367 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000659533824 436514333 /nfs/dbraw/zinc/51/43/33/436514333.db2.gz RQXXITPDUNDLCB-CRAIPNDOSA-N 0 3 313.445 3.224 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000659533827 436514844 /nfs/dbraw/zinc/51/48/44/436514844.db2.gz RQXXITPDUNDLCB-YJBOKZPZSA-N 0 3 313.445 3.224 20 30 DGEDHN C=CCC1(NC(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000655577577 436564661 /nfs/dbraw/zinc/56/46/61/436564661.db2.gz WQIUHIUQBRVYEV-INIZCTEOSA-N 0 3 305.466 3.049 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)C1 ZINC000459659522 303160383 /nfs/dbraw/zinc/16/03/83/303160383.db2.gz KLHAQNVKOPCXQO-MCIONIFRSA-N 0 3 316.367 3.360 20 30 DGEDHN CCc1ccc([C@@H](CO)NCCCOc2cccc(C#N)c2)cc1 ZINC000542912600 314105572 /nfs/dbraw/zinc/10/55/72/314105572.db2.gz NQHXFUFIGABJII-HXUWFJFHSA-N 0 3 324.424 3.213 20 30 DGEDHN COC(=O)c1cccc(CN2CC[C@H](C(C)(C)C)C2)c1C#N ZINC000543245899 314123188 /nfs/dbraw/zinc/12/31/88/314123188.db2.gz XAPZVMMQGUCGIV-AWEZNQCLSA-N 0 3 300.402 3.213 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CC[C@H](C)C[C@H]2C)c1C#N ZINC000547832990 314401057 /nfs/dbraw/zinc/40/10/57/314401057.db2.gz OKEDOGIVZZEOQL-OGHNNQOOSA-N 0 3 300.402 3.259 20 30 DGEDHN CC[C@H]1CCCC[C@@H]1NCc1cccc(C(=O)OC)c1C#N ZINC000548487538 314452363 /nfs/dbraw/zinc/45/23/63/314452363.db2.gz MEBZVMXQQGBRDI-GUYCJALGSA-N 0 3 300.402 3.403 20 30 DGEDHN Cc1ccccc1C(C)(C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000549869460 314521960 /nfs/dbraw/zinc/52/19/60/314521960.db2.gz OBDAOFZZVWNKOO-QGZVFWFLSA-N 0 3 324.424 3.131 20 30 DGEDHN CC(C)CN(Cc1ccccc1)Cc1cnc2c(C#N)cnn2c1 ZINC000563155041 315083534 /nfs/dbraw/zinc/08/35/34/315083534.db2.gz YZGWGBNRLFUWML-UHFFFAOYSA-N 0 3 319.412 3.259 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOC[C@@H]1CCCO1 ZINC000565280273 315249258 /nfs/dbraw/zinc/24/92/58/315249258.db2.gz GWZLKAFHRPKMQO-HKUYNNGSSA-N 0 3 314.429 3.111 20 30 DGEDHN CC(C)(C)[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000566246273 315325729 /nfs/dbraw/zinc/32/57/29/315325729.db2.gz QDIMBNMLEOCNLR-MRXNPFEDSA-N 0 3 311.433 3.249 20 30 DGEDHN COc1cc2c(cc1CNCCc1cccc(C#N)c1)O[C@H](C)C2 ZINC000566948604 315384858 /nfs/dbraw/zinc/38/48/58/315384858.db2.gz RJBBJJAQDLNPFX-CQSZACIVSA-N 0 3 322.408 3.223 20 30 DGEDHN CN1CC[C@@H](Nc2ncc3c(c2C#N)CCC3)[C@@H]1c1ccccc1 ZINC000574983996 316021760 /nfs/dbraw/zinc/02/17/60/316021760.db2.gz RLRKAQDPYGHJCL-MOPGFXCFSA-N 0 3 318.424 3.299 20 30 DGEDHN Cc1csc([C@@H](C)NCCCOc2cccc(C#N)c2)n1 ZINC000184183247 323357420 /nfs/dbraw/zinc/35/74/20/323357420.db2.gz NFTPYXXRFZYGKF-CYBMUJFWSA-N 0 3 301.415 3.443 20 30 DGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cccc(C#N)c2)cc1 ZINC000580577722 324015419 /nfs/dbraw/zinc/01/54/19/324015419.db2.gz PGKYQRQSKOGLHU-SFHVURJKSA-N 0 3 307.397 3.111 20 30 DGEDHN Cc1cc(NC2CCN([C@@H](C)c3ccccc3)CC2)cc(C#N)n1 ZINC000581063824 324069203 /nfs/dbraw/zinc/06/92/03/324069203.db2.gz SIMSLGYROOAKHK-INIZCTEOSA-N 0 3 320.440 3.321 20 30 DGEDHN C[C@H](CC(=O)c1ccco1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433375513 533710062 /nfs/dbraw/zinc/71/00/62/533710062.db2.gz LOJMQNWBBMSLNM-GDBMZVCRSA-N 0 3 324.380 3.130 20 30 DGEDHN C=CCCCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000580087836 332933434 /nfs/dbraw/zinc/93/34/34/332933434.db2.gz FPWGULKSFFNZRS-UHFFFAOYSA-N 0 3 309.413 3.240 20 30 DGEDHN CN(C)[C@H](CC(=O)Nc1ccccc1CC#N)c1ccccc1 ZINC000580093423 332935986 /nfs/dbraw/zinc/93/59/86/332935986.db2.gz GAIPQFHYFGTTHJ-GOSISDBHSA-N 0 3 307.397 3.384 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518410396 332028522 /nfs/dbraw/zinc/02/85/22/332028522.db2.gz QCIOTPQNLLZWOJ-SJLPKXTDSA-N 0 3 313.445 3.206 20 30 DGEDHN N#CCCn1cc(CN2CCCCCC2)c(-c2ccncc2)n1 ZINC000559551425 332270719 /nfs/dbraw/zinc/27/07/19/332270719.db2.gz FPUGPDACDHBSFH-UHFFFAOYSA-N 0 3 309.417 3.235 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC000155969951 332457213 /nfs/dbraw/zinc/45/72/13/332457213.db2.gz MLKXJHMFTHSNPV-GOSISDBHSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCOc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293735887 335112883 /nfs/dbraw/zinc/11/28/83/335112883.db2.gz VGFZKNLJCLIBJO-IBGZPJMESA-N 0 3 311.425 3.090 20 30 DGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@@H](C#N)CCC#N)CC3 ZINC000562282329 332567742 /nfs/dbraw/zinc/56/77/42/332567742.db2.gz XVNYMDLZEKBVIM-HUUCEWRRSA-N 0 3 306.413 3.367 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000182170288 333151800 /nfs/dbraw/zinc/15/18/00/333151800.db2.gz VFSCJDGSWLEWOQ-KRWDZBQOSA-N 0 3 301.434 3.041 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000295225318 335131311 /nfs/dbraw/zinc/13/13/11/335131311.db2.gz HWPRBODSQIMZEG-FQEVSTJZSA-N 0 3 312.457 3.323 20 30 DGEDHN COC(=O)[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000191861829 333283167 /nfs/dbraw/zinc/28/31/67/333283167.db2.gz YZRWVPUDPZFSCZ-ZBFHGGJFSA-N 0 3 314.429 3.119 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(C)c2)C(C)(C)C)C1=O ZINC000499612365 333287826 /nfs/dbraw/zinc/28/78/26/333287826.db2.gz RQWJFPPRWZUZQB-SJORKVTESA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000033089647 333404981 /nfs/dbraw/zinc/40/49/81/333404981.db2.gz QRHUUZGERLOUCP-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN CCC(CC)[C@H](NCC(=O)NC1(C#N)CCC1)c1cccs1 ZINC000525886771 335140440 /nfs/dbraw/zinc/14/04/40/335140440.db2.gz JRLHGZIVWOTVGR-INIZCTEOSA-N 0 3 319.474 3.377 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000292930805 334194394 /nfs/dbraw/zinc/19/43/94/334194394.db2.gz YXJPQHCPQIPUOZ-PBHICJAKSA-N 0 3 321.428 3.343 20 30 DGEDHN CCOc1ccc([C@@H](C)NCCOCCC#N)cc1OCC ZINC000293757196 334202008 /nfs/dbraw/zinc/20/20/08/334202008.db2.gz JNDAVMZAHOETJX-CQSZACIVSA-N 0 3 306.406 3.065 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000303260190 334309569 /nfs/dbraw/zinc/30/95/69/334309569.db2.gz PCGNLUYSCXGDED-IBGZPJMESA-N 0 3 316.420 3.457 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111875650 334360212 /nfs/dbraw/zinc/36/02/12/334360212.db2.gz NLXPGOMFYXPNTI-MRXNPFEDSA-N 0 3 303.450 3.115 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000111875654 334360243 /nfs/dbraw/zinc/36/02/43/334360243.db2.gz NLXPGOMFYXPNTI-INIZCTEOSA-N 0 3 303.450 3.115 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000344205252 335225184 /nfs/dbraw/zinc/22/51/84/335225184.db2.gz HQXOJNBJGGRKII-MRXNPFEDSA-N 0 3 313.445 3.301 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H]1CCc2sc(Br)cc21 ZINC000321047709 337187639 /nfs/dbraw/zinc/18/76/39/337187639.db2.gz UTDSWPBPTTWUHN-ONGXEEELSA-N 0 3 316.264 3.415 20 30 DGEDHN Cn1cc(CN2CCC(CC#N)CC2)c(-c2ccc(F)cc2)n1 ZINC000571731717 337574280 /nfs/dbraw/zinc/57/42/80/337574280.db2.gz LHAJHRAMQGTZQO-UHFFFAOYSA-N 0 3 312.392 3.352 20 30 DGEDHN CC#CCCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000499218404 340032731 /nfs/dbraw/zinc/03/27/31/340032731.db2.gz XZSSNGFKLQNVSJ-UHFFFAOYSA-N 0 3 314.341 3.366 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000502162783 340096215 /nfs/dbraw/zinc/09/62/15/340096215.db2.gz AIUAAKIEJGKLOJ-DOTOQJQBSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000503440326 340128292 /nfs/dbraw/zinc/12/82/92/340128292.db2.gz UVLLJTJAUPTGLE-IAGOWNOFSA-N 0 3 307.482 3.127 20 30 DGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N(CC)CC ZINC000505693203 340175069 /nfs/dbraw/zinc/17/50/69/340175069.db2.gz DCHPTXHBNLVVLT-LSDHHAIUSA-N 0 3 307.825 3.141 20 30 DGEDHN C=CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000505749393 340176558 /nfs/dbraw/zinc/17/65/58/340176558.db2.gz DKQTVPPXPWTGNU-OAHLLOKOSA-N 0 3 309.841 3.208 20 30 DGEDHN C=C(C)COc1cc(CN(CCOC)C2CC2)ccc1OC ZINC000507169879 340210952 /nfs/dbraw/zinc/21/09/52/340210952.db2.gz YNJCPISWXNOJFT-UHFFFAOYSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508896361 340255541 /nfs/dbraw/zinc/25/55/41/340255541.db2.gz MKMAQKJFQYIHHY-MAUKXSAKSA-N 0 3 315.461 3.285 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000509576887 340273955 /nfs/dbraw/zinc/27/39/55/340273955.db2.gz ILAOZGQRXZGROR-HUUCEWRRSA-N 0 3 305.422 3.092 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000510297604 340295333 /nfs/dbraw/zinc/29/53/33/340295333.db2.gz KTNLPZNXVJBRBH-CGTJXYLNSA-N 0 3 304.478 3.360 20 30 DGEDHN CC(C)(C#N)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000512443832 340362035 /nfs/dbraw/zinc/36/20/35/340362035.db2.gz HXWQTAWIVUFRQV-GFCCVEGCSA-N 0 3 307.235 3.446 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000513204459 340396891 /nfs/dbraw/zinc/39/68/91/340396891.db2.gz GIIAXJZPCSAYEN-OAHLLOKOSA-N 0 3 318.436 3.308 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000513218434 340397791 /nfs/dbraw/zinc/39/77/91/340397791.db2.gz MOQJRMNGBNSDPO-AWEZNQCLSA-N 0 3 320.864 3.432 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)Cc2ccccc2)CC1 ZINC000522135912 340576287 /nfs/dbraw/zinc/57/62/87/340576287.db2.gz YPXISSZKQDQYJQ-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000527289639 340711067 /nfs/dbraw/zinc/71/10/67/340711067.db2.gz WIJAGVIKVVBRPR-LSDHHAIUSA-N 0 3 321.424 3.441 20 30 DGEDHN C=CCN(C(=O)NCC(C)(C)N[C@H](C)c1ccccc1)C1CC1 ZINC000537911039 340714269 /nfs/dbraw/zinc/71/42/69/340714269.db2.gz KQVHQORONBTTJO-OAHLLOKOSA-N 0 3 315.461 3.476 20 30 DGEDHN CC(C)(C#N)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000126725479 340831116 /nfs/dbraw/zinc/83/11/16/340831116.db2.gz VOJULDWJMYZIBI-CQSZACIVSA-N 0 3 307.235 3.446 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000127207411 340846674 /nfs/dbraw/zinc/84/66/74/340846674.db2.gz ZNYKPAIHIQEDPQ-SFHVURJKSA-N 0 3 300.446 3.482 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1scnc1CC)C(C)C ZINC000127826807 340856681 /nfs/dbraw/zinc/85/66/81/340856681.db2.gz UKOZHOFHMHKEPE-HNNXBMFYSA-N 0 3 321.490 3.134 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)NCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000539260490 340878886 /nfs/dbraw/zinc/87/88/86/340878886.db2.gz BZVODQSSOZXXFZ-SIXWZSSISA-N 0 3 313.445 3.092 20 30 DGEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000539480951 340886609 /nfs/dbraw/zinc/88/66/09/340886609.db2.gz OYDRDTSGFGLIQR-SJLPKXTDSA-N 0 3 319.832 3.403 20 30 DGEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1)c1ccc(C)c(C)c1 ZINC000540776759 340945472 /nfs/dbraw/zinc/94/54/72/340945472.db2.gz DDUBZTLIJOOBRF-FQEVSTJZSA-N 0 3 322.452 3.479 20 30 DGEDHN CC(C)(C)OC(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000542280906 341003428 /nfs/dbraw/zinc/00/34/28/341003428.db2.gz XSTOQXWPDVFIEZ-UHFFFAOYSA-N 0 3 314.429 3.306 20 30 DGEDHN CCC[C@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000543560851 341049217 /nfs/dbraw/zinc/04/92/17/341049217.db2.gz CJRAEAMKTDQRII-INIZCTEOSA-N 0 3 305.466 3.326 20 30 DGEDHN CCCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000131808120 341111954 /nfs/dbraw/zinc/11/19/54/341111954.db2.gz DRKDYAMAGMAHOM-MRXNPFEDSA-N 0 3 301.434 3.444 20 30 DGEDHN CC(C)C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000074994503 341159297 /nfs/dbraw/zinc/15/92/97/341159297.db2.gz PGBHGDOUEFOCEA-QGZVFWFLSA-N 0 3 313.445 3.301 20 30 DGEDHN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000074994483 341159303 /nfs/dbraw/zinc/15/93/03/341159303.db2.gz JCMOOAZVLFRPRG-HOTGVXAUSA-N 0 3 305.466 3.086 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000546931328 341187118 /nfs/dbraw/zinc/18/71/18/341187118.db2.gz PJKXKIZSLDQAJQ-FRQCXROJSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C(C)COCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000134508217 341216531 /nfs/dbraw/zinc/21/65/31/341216531.db2.gz DHNSBHPXDPFCON-UHFFFAOYSA-N 0 3 305.809 3.208 20 30 DGEDHN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC000549271571 341290217 /nfs/dbraw/zinc/29/02/17/341290217.db2.gz KXMGQZCTSACQQG-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN CN(C(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21)C1(C#N)CCCCC1 ZINC000550078468 341309478 /nfs/dbraw/zinc/30/94/78/341309478.db2.gz CXXOEJRLRJWEFP-JKSUJKDBSA-N 0 3 317.477 3.182 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C(C)(F)F)C(C)C ZINC000551095063 341331473 /nfs/dbraw/zinc/33/14/73/341331473.db2.gz IIZVQRGSFOBEJM-KGLIPLIRSA-N 0 3 302.409 3.093 20 30 DGEDHN CC[C@@H](C)N(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000249517248 341398603 /nfs/dbraw/zinc/39/86/03/341398603.db2.gz GRFKQANHXDVFJF-VQIMIIECSA-N 0 3 315.461 3.342 20 30 DGEDHN C=C(C)COCCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000090451013 341415783 /nfs/dbraw/zinc/41/57/83/341415783.db2.gz HQDNQYGYDFUPMW-CYBMUJFWSA-N 0 3 308.378 3.237 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc2cc(Br)ccc2o1 ZINC000568269636 341662604 /nfs/dbraw/zinc/66/26/04/341662604.db2.gz RKBOEVUQVJKSNH-LLVKDONJSA-N 0 3 324.218 3.470 20 30 DGEDHN C=C(C)COCCNCc1cccc(OCc2ccccn2)c1 ZINC000177902637 341939439 /nfs/dbraw/zinc/93/94/39/341939439.db2.gz ABEWMRBPZVYZQS-UHFFFAOYSA-N 0 3 312.413 3.343 20 30 DGEDHN CC[C@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)N(CC)CC ZINC000272703702 500729429 /nfs/dbraw/zinc/72/94/29/500729429.db2.gz QEOJPXSBJJYAIR-DZGCQCFKSA-N 0 3 303.406 3.036 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000178570646 533732049 /nfs/dbraw/zinc/73/20/49/533732049.db2.gz OCCBETGRRIBOAG-UONOGXRCSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000329727211 533782426 /nfs/dbraw/zinc/78/24/26/533782426.db2.gz GTFWFDIZGPKOOS-URLQWDBASA-N 0 3 316.445 3.499 20 30 DGEDHN CSC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000347355583 533802138 /nfs/dbraw/zinc/80/21/38/533802138.db2.gz BVMSKUKZAPKIDW-IRXDYDNUSA-N 0 3 316.470 3.361 20 30 DGEDHN COc1cc(CNCC2(CC#N)CC2)c(SC)cc1OC ZINC000430043601 533871312 /nfs/dbraw/zinc/87/13/12/533871312.db2.gz GBBUVWGNOMBVSK-UHFFFAOYSA-N 0 3 306.431 3.209 20 30 DGEDHN C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)N(C)CCC#N ZINC000184375120 533975242 /nfs/dbraw/zinc/97/52/42/533975242.db2.gz ZQMSDURDCOCAPS-STQMWFEESA-N 0 3 315.442 3.312 20 30 DGEDHN C[C@H](CCc1cccn1C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433367558 533995908 /nfs/dbraw/zinc/99/59/08/533995908.db2.gz VTWVNNDPYAXVSS-AEFFLSMTSA-N 0 3 323.440 3.235 20 30 DGEDHN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)ccc12 ZINC000329588888 534018777 /nfs/dbraw/zinc/01/87/77/534018777.db2.gz XVKBHFBVNOVSFJ-GXTWGEPZSA-N 0 3 313.401 3.036 20 30 DGEDHN C[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000443651279 534054286 /nfs/dbraw/zinc/05/42/86/534054286.db2.gz JGHISPIKAKNKMS-VKJFTORMSA-N 0 3 311.429 3.032 20 30 DGEDHN CC(C#N)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000427790237 534281638 /nfs/dbraw/zinc/28/16/38/534281638.db2.gz SAAQWURRNOCIHB-MRVPVSSYSA-N 0 3 315.598 3.221 20 30 DGEDHN CCOC[C@@H]1CCCCN1Cc1cc(C#N)ccc1N(C)C ZINC001658323912 1196242093 /nfs/dbraw/zinc/24/20/93/1196242093.db2.gz ZKXRTERCJQSBJZ-KRWDZBQOSA-N 0 3 301.434 3.015 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458984350 534506154 /nfs/dbraw/zinc/50/61/54/534506154.db2.gz FZHGUUVGADDTDH-UHFFFAOYSA-N 0 3 309.479 3.034 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000458808780 534545639 /nfs/dbraw/zinc/54/56/39/534545639.db2.gz JIHHEPIFZQUMLD-HNNXBMFYSA-N 0 3 307.482 3.105 20 30 DGEDHN Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CC=CCC2)c(C#N)c1C ZINC000330813461 534547900 /nfs/dbraw/zinc/54/79/00/534547900.db2.gz CKKICCFWXJSPDK-DZGCQCFKSA-N 0 3 315.417 3.383 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)cc1F ZINC000449548471 534574140 /nfs/dbraw/zinc/57/41/40/534574140.db2.gz NQEBNQRZVBMYLM-KGLIPLIRSA-N 0 3 314.198 3.411 20 30 DGEDHN C=CCC1(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CCC1 ZINC000458298983 534595485 /nfs/dbraw/zinc/59/54/85/534595485.db2.gz TVNNFHHGWPZXHC-UHFFFAOYSA-N 0 3 320.408 3.451 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccccn1)C1CC1 ZINC000433141949 534740208 /nfs/dbraw/zinc/74/02/08/534740208.db2.gz BTLHBXUDHUUKSJ-KRWDZBQOSA-N 0 3 319.408 3.345 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000185830542 534749309 /nfs/dbraw/zinc/74/93/09/534749309.db2.gz REXBTZVDXVYMOD-GZBFAFLISA-N 0 3 317.820 3.117 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(Br)cc2)C1 ZINC000442858365 534755187 /nfs/dbraw/zinc/75/51/87/534755187.db2.gz HMSSBTNNWPVNNT-WCQYABFASA-N 0 3 309.207 3.110 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c(OC(F)F)c1 ZINC000441662263 534782297 /nfs/dbraw/zinc/78/22/97/534782297.db2.gz MIJUYIYCAVDNNC-UKRRQHHQSA-N 0 3 322.355 3.018 20 30 DGEDHN C=CCC[C@@H](O)CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915252 534799804 /nfs/dbraw/zinc/79/98/04/534799804.db2.gz TZWWRXZIWAYUSH-HUUCEWRRSA-N 0 3 318.244 3.118 20 30 DGEDHN COc1ccc([C@@H](CNc2ccc(C#N)nc2)N2CCCC2)cc1 ZINC000267446806 525188361 /nfs/dbraw/zinc/18/83/61/525188361.db2.gz ZXNYSVVVGVPTNL-LJQANCHMSA-N 0 3 322.412 3.211 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](OC)[C@@H](C)C2)cc1OC ZINC000449497418 534883020 /nfs/dbraw/zinc/88/30/20/534883020.db2.gz KGEPIDTXUPOOPI-HOCLYGCPSA-N 0 3 305.418 3.117 20 30 DGEDHN COc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1O ZINC000180030112 525925440 /nfs/dbraw/zinc/92/54/40/525925440.db2.gz WAYSXXUMBZAYLJ-UHFFFAOYSA-N 0 3 308.381 3.437 20 30 DGEDHN CC#CCCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000156610270 526309320 /nfs/dbraw/zinc/30/93/20/526309320.db2.gz HCRMCMKQWVNEAZ-OAHLLOKOSA-N 0 3 313.376 3.469 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](O)COc1ccccc1C ZINC000352702463 526325305 /nfs/dbraw/zinc/32/53/05/526325305.db2.gz XHEVZTOKJKZUHG-KRWDZBQOSA-N 0 3 315.413 3.058 20 30 DGEDHN CC#CCCNCc1cc(OC)ccc1OCc1ccccn1 ZINC000354177058 526338948 /nfs/dbraw/zinc/33/89/48/526338948.db2.gz GDUBTQBZXDJUFP-UHFFFAOYSA-N 0 3 310.397 3.172 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000358795667 526439818 /nfs/dbraw/zinc/43/98/18/526439818.db2.gz LDWYYTGNWDFSNJ-INIZCTEOSA-N 0 3 319.474 3.149 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CSc2ccccc2)CC1 ZINC000347417002 526443078 /nfs/dbraw/zinc/44/30/78/526443078.db2.gz IBTISRFZOBFIOV-HNNXBMFYSA-N 0 3 318.486 3.181 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000176321657 526444869 /nfs/dbraw/zinc/44/48/69/526444869.db2.gz JWACFFSYRCOBFJ-CQSZACIVSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(O[C@@H](C)CC)cc2)CC1 ZINC000176285616 526447565 /nfs/dbraw/zinc/44/75/65/526447565.db2.gz NICKEJUIBKBNNX-HNNXBMFYSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000171725467 526449652 /nfs/dbraw/zinc/44/96/52/526449652.db2.gz CLJMUKGKNIZIJF-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=CCN1CCC(NCc2nc3ccc(F)cc3s2)CC1 ZINC000428875467 526451558 /nfs/dbraw/zinc/45/15/58/526451558.db2.gz FZDRALIRNVPBBW-UHFFFAOYSA-N 0 3 305.422 3.175 20 30 DGEDHN C=CCN1CCC2(C[C@@H]2N(Cc2ccsc2)C(C)=O)CC1 ZINC000434858572 526454080 /nfs/dbraw/zinc/45/40/80/526454080.db2.gz ALOGJENBSMDJAA-INIZCTEOSA-N 0 3 304.459 3.137 20 30 DGEDHN C=CCN1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413136385 526454850 /nfs/dbraw/zinc/45/48/50/526454850.db2.gz XYNCYSHVOCRPDF-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN C=CCN1CC[C@@H](N(C2CC2)[C@H]2CCCc3ccccc32)C1=O ZINC000337159338 526474977 /nfs/dbraw/zinc/47/49/77/526474977.db2.gz RSBRUWXFNHVBMO-RBUKOAKNSA-N 0 3 310.441 3.315 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@](C)(c3ccccc3)CC2)C1=O ZINC000352209286 526480822 /nfs/dbraw/zinc/48/08/22/526480822.db2.gz ATAWKUPKQKVJMT-QUCCMNQESA-N 0 3 312.457 3.217 20 30 DGEDHN C=C(C)CN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000183064654 526498046 /nfs/dbraw/zinc/49/80/46/526498046.db2.gz PBVMZWFWUFZNGG-INIZCTEOSA-N 0 3 304.409 3.072 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(F)c3ccccc32)C1=O ZINC000352262685 526512397 /nfs/dbraw/zinc/51/23/97/526512397.db2.gz JRMROVDPONTNLA-UGSOOPFHSA-N 0 3 312.388 3.416 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434892432 526524870 /nfs/dbraw/zinc/52/48/70/526524870.db2.gz RLPNXNAOBHSBEL-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418500118 526532962 /nfs/dbraw/zinc/53/29/62/526532962.db2.gz NQCRZWLOGQZKPK-SFHVURJKSA-N 0 3 311.429 3.447 20 30 DGEDHN C=C(C)CN(CCCn1ccnc1)Cc1cnn(C(C)C)c1 ZINC000352911790 526552584 /nfs/dbraw/zinc/55/25/84/526552584.db2.gz AZIOLDKURUCOPB-UHFFFAOYSA-N 0 3 301.438 3.129 20 30 DGEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000180037303 526571486 /nfs/dbraw/zinc/57/14/86/526571486.db2.gz KIXAVIANSMKYJF-RYUDHWBXSA-N 0 3 314.351 3.089 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(C)cs2)CC1 ZINC000330666433 526577580 /nfs/dbraw/zinc/57/75/80/526577580.db2.gz XHELWGWFCRTJOK-CYBMUJFWSA-N 0 3 322.478 3.057 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1 ZINC000134862496 526580817 /nfs/dbraw/zinc/58/08/17/526580817.db2.gz WQRRESPOFQGBQC-UHFFFAOYSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000427945060 526619964 /nfs/dbraw/zinc/61/99/64/526619964.db2.gz COMXYWZYSIQHFM-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCOCCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000348060616 526753862 /nfs/dbraw/zinc/75/38/62/526753862.db2.gz XWJVGZYAKVQJBP-ZDUSSCGKSA-N 0 3 317.355 3.132 20 30 DGEDHN C=CCOCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000347975507 526754452 /nfs/dbraw/zinc/75/44/52/526754452.db2.gz WJPCHCSWXPRREC-MRXNPFEDSA-N 0 3 303.402 3.187 20 30 DGEDHN C=CCOCCCN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000348050955 526758770 /nfs/dbraw/zinc/75/87/70/526758770.db2.gz QCTIJAOWLLLTSH-QZTJIDSGSA-N 0 3 302.462 3.174 20 30 DGEDHN C=CCOCCN(C)CCCc1cc(-c2ccccc2)no1 ZINC000338956994 526766856 /nfs/dbraw/zinc/76/68/56/526766856.db2.gz MCBXFRBKYCGQBE-UHFFFAOYSA-N 0 3 300.402 3.409 20 30 DGEDHN C=CCOCCN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000339173947 526771302 /nfs/dbraw/zinc/77/13/02/526771302.db2.gz MDGFNMXGIDOHES-UHFFFAOYSA-N 0 3 323.408 3.167 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OC)C2(C)C)cc1OC ZINC000344701727 526889035 /nfs/dbraw/zinc/88/90/35/526889035.db2.gz RXHCQBDYPHUHCT-IAGOWNOFSA-N 0 3 305.418 3.163 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000134622617 526890082 /nfs/dbraw/zinc/89/00/82/526890082.db2.gz IHHQUVDODNCDMQ-IJEWVQPXSA-N 0 3 307.821 3.406 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000339468074 526891096 /nfs/dbraw/zinc/89/10/96/526891096.db2.gz KUUPPSIYDZDRGV-CYBMUJFWSA-N 0 3 314.385 3.211 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC000353988701 526902118 /nfs/dbraw/zinc/90/21/18/526902118.db2.gz WXYVUXBCKQQNMD-SFHVURJKSA-N 0 3 310.397 3.300 20 30 DGEDHN C=C1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000342188253 526903645 /nfs/dbraw/zinc/90/36/45/526903645.db2.gz XQIRWXZVJUYKQR-PKOBYXMFSA-N 0 3 301.430 3.094 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000353119618 526905200 /nfs/dbraw/zinc/90/52/00/526905200.db2.gz OIQUZJYYTGMJQC-FUHWJXTLSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2CCC(=O)N[C@@H]2C(C)(C)C)c1 ZINC000353119620 526905368 /nfs/dbraw/zinc/90/53/68/526905368.db2.gz OIQUZJYYTGMJQC-WMZOPIPTSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418248815 526953791 /nfs/dbraw/zinc/95/37/91/526953791.db2.gz IWOAAYNEQNYFOB-KRWDZBQOSA-N 0 3 311.429 3.351 20 30 DGEDHN C=CC1CCN(Cc2ccc(OCCOCCOC)cc2)CC1 ZINC000348269194 526980130 /nfs/dbraw/zinc/98/01/30/526980130.db2.gz FROSMPJHGDOWKV-UHFFFAOYSA-N 0 3 319.445 3.126 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CNC(C)(C)COCC ZINC000293419467 527012950 /nfs/dbraw/zinc/01/29/50/527012950.db2.gz ZSXHYQOSKIRRLV-UHFFFAOYSA-N 0 3 322.474 3.308 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182099746 527031293 /nfs/dbraw/zinc/03/12/93/527031293.db2.gz MRRYGWQPIPYYLL-MRXNPFEDSA-N 0 3 300.446 3.392 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000132511448 527067191 /nfs/dbraw/zinc/06/71/91/527067191.db2.gz FGYZOPAWXGKSJA-SJLPKXTDSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CC[C@@H](CO)CNCc1c(Cl)cccc1N1CCCC1 ZINC000341279904 527077577 /nfs/dbraw/zinc/07/75/77/527077577.db2.gz TYQYICDTRCKWMA-CQSZACIVSA-N 0 3 308.853 3.214 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433960778 527123973 /nfs/dbraw/zinc/12/39/73/527123973.db2.gz QERXUYSVNPEEAR-KRWDZBQOSA-N 0 3 307.482 3.391 20 30 DGEDHN C#CCOc1ccccc1CN(C)C[C@@H](C)c1nccs1 ZINC000183250870 527124479 /nfs/dbraw/zinc/12/44/79/527124479.db2.gz ADVUNROSXBONBT-CQSZACIVSA-N 0 3 300.427 3.391 20 30 DGEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(S(=O)(=O)CC)s1 ZINC000355129851 527141610 /nfs/dbraw/zinc/14/16/10/527141610.db2.gz XHIBEVVCYMUHSS-RYUDHWBXSA-N 0 3 301.477 3.232 20 30 DGEDHN CC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[O-] ZINC000331249371 527220297 /nfs/dbraw/zinc/22/02/97/527220297.db2.gz XQPSDNMFBPMSJO-AWEZNQCLSA-N 0 3 318.417 3.020 20 30 DGEDHN CC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[O-] ZINC000331249371 527220298 /nfs/dbraw/zinc/22/02/98/527220298.db2.gz XQPSDNMFBPMSJO-AWEZNQCLSA-N 0 3 318.417 3.020 20 30 DGEDHN C=CCCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338748047 527221640 /nfs/dbraw/zinc/22/16/40/527221640.db2.gz JCGDRRCBNWXAFT-OAHLLOKOSA-N 0 3 309.841 3.208 20 30 DGEDHN C=CC[C@H]1N(Cc2ccnn2CCCOC)CCCC1(C)C ZINC000338956188 527226157 /nfs/dbraw/zinc/22/61/57/527226157.db2.gz HRVXZDWERVEETH-QGZVFWFLSA-N 0 3 305.466 3.486 20 30 DGEDHN C=CCCN(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346845308 527314423 /nfs/dbraw/zinc/31/44/23/527314423.db2.gz MUWYKIOSARINKB-MRXNPFEDSA-N 0 3 304.409 3.072 20 30 DGEDHN C=CCn1cc(CNC[C@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000425349086 527371973 /nfs/dbraw/zinc/37/19/73/527371973.db2.gz FSYVZHZZMSEJKD-LBPRGKRZSA-N 0 3 324.350 3.376 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000337746575 527378956 /nfs/dbraw/zinc/37/89/56/527378956.db2.gz UJHWYEXOVMIKGN-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000359537576 527385279 /nfs/dbraw/zinc/38/52/79/527385279.db2.gz GQRFMEKWZALGGI-LSDHHAIUSA-N 0 3 315.417 3.126 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359840955 527389184 /nfs/dbraw/zinc/38/91/84/527389184.db2.gz OFIDRSBNKQKJDS-AEFFLSMTSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357852626 527402038 /nfs/dbraw/zinc/40/20/38/527402038.db2.gz BJOQPPAOSNPCMT-JFIYKMOQSA-N 0 3 318.461 3.084 20 30 DGEDHN C=C[C@@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000362591462 527410542 /nfs/dbraw/zinc/41/05/42/527410542.db2.gz IVURITVTSIGQFT-HZPDHXFCSA-N 0 3 300.446 3.020 20 30 DGEDHN CC(C)(C#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000155395601 527451623 /nfs/dbraw/zinc/45/16/23/527451623.db2.gz VSYBLDZRGBLKTL-UHFFFAOYSA-N 0 3 315.417 3.040 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000427751791 527463850 /nfs/dbraw/zinc/46/38/50/527463850.db2.gz IFTDJCLHCHRSPN-AYOQOUSVSA-N 0 3 312.457 3.335 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000366181993 527489824 /nfs/dbraw/zinc/48/98/24/527489824.db2.gz JNHVRASDWDYHKW-HNNXBMFYSA-N 0 3 323.383 3.187 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289780105 527489878 /nfs/dbraw/zinc/48/98/78/527489878.db2.gz LRTWNMAWIGDQMN-HNNXBMFYSA-N 0 3 318.392 3.473 20 30 DGEDHN C=CCCc1ccccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415677944 527507679 /nfs/dbraw/zinc/50/76/79/527507679.db2.gz VPKPLPNWGNYXLE-BBRMVZONSA-N 0 3 317.433 3.040 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)C1CC1 ZINC000357535012 527538889 /nfs/dbraw/zinc/53/88/89/527538889.db2.gz FGRSFZRYAYCOIO-DZGCQCFKSA-N 0 3 305.422 3.069 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC1 ZINC000359022630 527540442 /nfs/dbraw/zinc/54/04/42/527540442.db2.gz WEPRQKOFADJSKY-YJBOKZPZSA-N 0 3 313.445 3.009 20 30 DGEDHN C=C[C@H](CC(=O)N(C)C1CCN(CC)CC1)c1ccccc1 ZINC000340120677 527572648 /nfs/dbraw/zinc/57/26/48/527572648.db2.gz YPINRRQZKUNSMG-MRXNPFEDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@H](CO)N[C@H]1CCc2c1cc(Cl)cc2Br ZINC000353574681 527594928 /nfs/dbraw/zinc/59/49/28/527594928.db2.gz JIWCNKXTSVHZQR-RNCFNFMXSA-N 0 3 316.626 3.226 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C)ccn1)C(C)C ZINC000345123107 527649946 /nfs/dbraw/zinc/64/99/46/527649946.db2.gz JAHNAZJZZHGQQI-MRXNPFEDSA-N 0 3 316.449 3.210 20 30 DGEDHN CC(C)CCN(CCC#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433358803 527712832 /nfs/dbraw/zinc/71/28/32/527712832.db2.gz DVFUKTVJPPVBAV-SFHVURJKSA-N 0 3 315.461 3.468 20 30 DGEDHN CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000357826527 527771494 /nfs/dbraw/zinc/77/14/94/527771494.db2.gz LUWTUYZVYOOEQO-FUHWJXTLSA-N 0 3 313.445 3.049 20 30 DGEDHN CCC1(O)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000353756591 527808533 /nfs/dbraw/zinc/80/85/33/527808533.db2.gz WJALSPAKJBVMRK-UHFFFAOYSA-N 0 3 302.418 3.106 20 30 DGEDHN CC(C)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCS1 ZINC000433381716 527836665 /nfs/dbraw/zinc/83/66/65/527836665.db2.gz AVCFOSRZAFFPHM-IAGOWNOFSA-N 0 3 316.470 3.359 20 30 DGEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000443072634 527960503 /nfs/dbraw/zinc/96/05/03/527960503.db2.gz VGVHMLRJOVHMER-SFHVURJKSA-N 0 3 302.418 3.348 20 30 DGEDHN CCN(CC(C)C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343602556 527963161 /nfs/dbraw/zinc/96/31/61/527963161.db2.gz RPSZGEPDRHUAKH-PQUAAJSLSA-N 0 3 307.482 3.284 20 30 DGEDHN CCN1C[C@H](C)N(Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000353812301 527972066 /nfs/dbraw/zinc/97/20/66/527972066.db2.gz XRZCTJARVPIUGX-IRXDYDNUSA-N 0 3 315.461 3.284 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC000330697134 528233329 /nfs/dbraw/zinc/23/33/29/528233329.db2.gz VIFLMGPLERHVRD-AWEZNQCLSA-N 0 3 306.454 3.126 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000181789205 528363831 /nfs/dbraw/zinc/36/38/31/528363831.db2.gz DLDOWNRVDAYBET-QGZVFWFLSA-N 0 3 301.434 3.126 20 30 DGEDHN CCCc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[nH]c(C)c1C(C)=O ZINC000330898649 528549406 /nfs/dbraw/zinc/54/94/06/528549406.db2.gz IILBTFORZBPJGC-BXUZGUMPSA-N 0 3 319.449 3.266 20 30 DGEDHN CCC(CC)CN(CCC#N)C(=O)C1CCN(C2CC2)CC1 ZINC000338831525 528745403 /nfs/dbraw/zinc/74/54/03/528745403.db2.gz DKLUKTVBIPVXMV-UHFFFAOYSA-N 0 3 305.466 3.039 20 30 DGEDHN CC(C)[C@@](C)(CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331313663 528861494 /nfs/dbraw/zinc/86/14/94/528861494.db2.gz CKHZOYYGDWGMQC-LJQANCHMSA-N 0 3 318.461 3.384 20 30 DGEDHN CC(C)[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000343397470 529126303 /nfs/dbraw/zinc/12/63/03/529126303.db2.gz CLKFMSONXSSADT-CJNGLKHVSA-N 0 3 321.852 3.387 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000330955083 529271556 /nfs/dbraw/zinc/27/15/56/529271556.db2.gz MRDPJOHCZCEBQQ-OAHLLOKOSA-N 0 3 303.381 3.266 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(F)cc1C#N ZINC000177923010 529273733 /nfs/dbraw/zinc/27/37/33/529273733.db2.gz DYOSQZWDFCWUIX-OAHLLOKOSA-N 0 3 318.396 3.083 20 30 DGEDHN CC[C@H]1CN(CCCSCC#N)CCN1Cc1ccccc1 ZINC000183752234 529291604 /nfs/dbraw/zinc/29/16/04/529291604.db2.gz SCRFQKKYJHIQIG-SFHVURJKSA-N 0 3 317.502 3.230 20 30 DGEDHN CC[C@H]1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000302151850 529300914 /nfs/dbraw/zinc/30/09/14/529300914.db2.gz KTWSVMJOPYIGQP-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN COc1cc(CNC[C@](C)(OC)c2ccccc2)ccc1C#N ZINC000449484958 536802080 /nfs/dbraw/zinc/80/20/80/536802080.db2.gz OLKWPMCCPXOVRN-IBGZPJMESA-N 0 3 310.397 3.218 20 30 DGEDHN C=CCOc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000046380522 545683398 /nfs/dbraw/zinc/68/33/98/545683398.db2.gz BKRYHSMCDGXVOM-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C=CCc1cc(CN2CCC(OCC)CC2)cc(OC)c1O ZINC000091677435 545836911 /nfs/dbraw/zinc/83/69/11/545836911.db2.gz FFQCASBGYRDIBP-UHFFFAOYSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153131045 546007586 /nfs/dbraw/zinc/00/75/86/546007586.db2.gz YHUDSQXNEHDDCK-NSHDSACASA-N 0 3 310.323 3.114 20 30 DGEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000543141327 546994279 /nfs/dbraw/zinc/99/42/79/546994279.db2.gz XZTFNHNYPPTRHS-UHFFFAOYSA-N 0 3 308.381 3.156 20 30 DGEDHN C=CC[C@@H]1CCCN(C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000668492793 547467521 /nfs/dbraw/zinc/46/75/21/547467521.db2.gz GGUVKAGSEBOXRE-HZPDHXFCSA-N 0 3 321.486 3.482 20 30 DGEDHN C=CC[C@@H]1CCCN(C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000668492795 547468327 /nfs/dbraw/zinc/46/83/27/547468327.db2.gz GGUVKAGSEBOXRE-JKSUJKDBSA-N 0 3 321.486 3.482 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)ccc1OC ZINC000668554945 547478226 /nfs/dbraw/zinc/47/82/26/547478226.db2.gz RKHJKVCACONTIC-GJZGRUSLSA-N 0 3 319.445 3.099 20 30 DGEDHN C=C[C@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674981214 548144252 /nfs/dbraw/zinc/14/42/52/548144252.db2.gz VFNRXUDLPJRIGF-RDJZCZTQSA-N 0 3 301.434 3.087 20 30 DGEDHN CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000677195379 548469690 /nfs/dbraw/zinc/46/96/90/548469690.db2.gz RVQXZUGZMNGHCR-AWEZNQCLSA-N 0 3 310.363 3.083 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1csc(C)n1)C(C)C ZINC000678050740 548600745 /nfs/dbraw/zinc/60/07/45/548600745.db2.gz FNAJFCJJAZBGGF-AWEZNQCLSA-N 0 3 322.478 3.272 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1ccccc1-n1cncn1 ZINC000678154230 548627837 /nfs/dbraw/zinc/62/78/37/548627837.db2.gz OQDVKRVFOFDITH-UHFFFAOYSA-N 0 3 304.397 3.456 20 30 DGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000678742977 548755727 /nfs/dbraw/zinc/75/57/27/548755727.db2.gz BJDZGSNHIYPQCL-CABCVRRESA-N 0 3 305.418 3.173 20 30 DGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000678752053 548756774 /nfs/dbraw/zinc/75/67/74/548756774.db2.gz PABRHKPWZDHPMH-ZBFHGGJFSA-N 0 3 307.434 3.318 20 30 DGEDHN COc1nc(C)ccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000679091341 548828709 /nfs/dbraw/zinc/82/87/09/548828709.db2.gz UVRUFFOIXGEFIC-HNNXBMFYSA-N 0 3 317.348 3.437 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(Br)c(F)c1 ZINC000679576769 548919849 /nfs/dbraw/zinc/91/98/49/548919849.db2.gz SUPVKETWGNIRHS-SNVBAGLBSA-N 0 3 302.187 3.441 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000680991961 549141283 /nfs/dbraw/zinc/14/12/83/549141283.db2.gz JIOJTNPVQCPUMJ-BEFAXECRSA-N 0 3 313.828 3.446 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](CO)NCC#Cc1ccccc1Cl ZINC000680995264 549142572 /nfs/dbraw/zinc/14/25/72/549142572.db2.gz VABQQLTXMKXCNZ-KXBFYZLASA-N 0 3 313.828 3.446 20 30 DGEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000683688673 549519161 /nfs/dbraw/zinc/51/91/61/549519161.db2.gz FHACBFATPYMCFN-ZDUSSCGKSA-N 0 3 320.352 3.235 20 30 DGEDHN CC(C)CC(Cc1ccc(Cl)cc1Cl)N=NC(=N)N ZINC000730945733 574539566 /nfs/dbraw/zinc/53/95/66/574539566.db2.gz PZYRFHNKIXBDDC-UHFFFAOYSA-N 0 3 301.221 3.421 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000733204830 574607593 /nfs/dbraw/zinc/60/75/93/574607593.db2.gz AUVLSLJVTFHKSW-GPMKDSKKSA-N 0 3 318.339 3.235 20 30 DGEDHN C#CCCOc1ccc(CNCCOc2ccc(F)cc2)cc1 ZINC000733322237 574615429 /nfs/dbraw/zinc/61/54/29/574615429.db2.gz DQIIFQBLJINREQ-UHFFFAOYSA-N 0 3 313.372 3.396 20 30 DGEDHN C#CCOc1ccc(CNCCO[C@@H]2CCCC[C@H]2C)cc1 ZINC000733325093 574615950 /nfs/dbraw/zinc/61/59/50/574615950.db2.gz WVBHBGLHSJQAEU-VQIMIIECSA-N 0 3 301.430 3.384 20 30 DGEDHN CSc1ccc(C(C)N=Nc2ccnc(N(C)C)n2)cc1F ZINC000741763632 574631833 /nfs/dbraw/zinc/63/18/33/574631833.db2.gz UXUXTLWJLWBPEH-UHFFFAOYSA-N 0 3 319.409 3.240 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000735206104 574692424 /nfs/dbraw/zinc/69/24/24/574692424.db2.gz JDJXEEVMROAHCE-DOGVGXBMSA-N 0 3 308.740 3.483 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000735205228 574692627 /nfs/dbraw/zinc/69/26/27/574692627.db2.gz BBONKSPTABRQPL-HKBVPSITSA-N 0 3 300.358 3.089 20 30 DGEDHN C=CCCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000739902755 574915443 /nfs/dbraw/zinc/91/54/43/574915443.db2.gz HHZYFXAUDQSQHH-UHFFFAOYSA-N 0 3 314.351 3.279 20 30 DGEDHN C=CCCCON=C(N)c1ccccc1CN1CCCCC1 ZINC000740872188 574944358 /nfs/dbraw/zinc/94/43/58/574944358.db2.gz IBTKEHIYGVPGRJ-UHFFFAOYSA-N 0 3 301.434 3.485 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000741256911 574954440 /nfs/dbraw/zinc/95/44/40/574954440.db2.gz QOAWIARQGOCKOB-OAHLLOKOSA-N 0 3 304.752 3.174 20 30 DGEDHN COc1ccc(CN[C@@H](C)COc2cccc(F)c2)cc1C#N ZINC000742367800 574992529 /nfs/dbraw/zinc/99/25/29/574992529.db2.gz KFLLSGQKQLHODL-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000742367041 574992573 /nfs/dbraw/zinc/99/25/73/574992573.db2.gz GPKMHCFIBIUMML-UHFFFAOYSA-N 0 3 302.324 3.492 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](C)Oc1ccc(F)cc1 ZINC000742380681 574994499 /nfs/dbraw/zinc/99/44/99/574994499.db2.gz IIQAKTYGKXJVBV-OAHLLOKOSA-N 0 3 313.372 3.395 20 30 DGEDHN N#Cc1cccc(Cl)c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000742392332 574996478 /nfs/dbraw/zinc/99/64/78/574996478.db2.gz IAKWQHDCWLMZLU-OAHLLOKOSA-N 0 3 319.836 3.267 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2ccc(CCCC)cc2)CC1 ZINC000743491503 575054507 /nfs/dbraw/zinc/05/45/07/575054507.db2.gz IRRAPIOWNUWQCR-UHFFFAOYSA-N 0 3 312.457 3.247 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC000743493092 575054590 /nfs/dbraw/zinc/05/45/90/575054590.db2.gz HFXFBEHDFONNFV-IBGZPJMESA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCOc1ccccc1CNCCOc1ccc(C)cc1C ZINC000743767459 575063201 /nfs/dbraw/zinc/06/32/01/575063201.db2.gz QZRRLVVFXFCQMD-UHFFFAOYSA-N 0 3 309.409 3.484 20 30 DGEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000728930747 575195875 /nfs/dbraw/zinc/19/58/75/575195875.db2.gz FCPZSSNNVIIHOP-ZDUSSCGKSA-N 0 3 313.426 3.347 20 30 DGEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000729887887 575265606 /nfs/dbraw/zinc/26/56/06/575265606.db2.gz FCQWXIQJDMZUNH-BBRMVZONSA-N 0 3 314.385 3.050 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000729942584 575267595 /nfs/dbraw/zinc/26/75/95/575267595.db2.gz OGWFCHAJDHKBGD-UHFFFAOYSA-N 0 3 303.475 3.240 20 30 DGEDHN C#CCN(C(=O)NC[C@H](C)N1CCCC[C@H]1C)C1CCCCC1 ZINC000744834525 575360112 /nfs/dbraw/zinc/36/01/12/575360112.db2.gz OQGMKRKZGLUSJG-SJORKVTESA-N 0 3 319.493 3.227 20 30 DGEDHN C#CCN(C(=O)NC[C@@H](C)N1CCC(C)CC1)C1CCCCC1 ZINC000744868972 575361634 /nfs/dbraw/zinc/36/16/34/575361634.db2.gz MFRZZUCGUNPGTA-QGZVFWFLSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCN(CC)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000746456930 575453206 /nfs/dbraw/zinc/45/32/06/575453206.db2.gz SIQSNMXKGZMESR-UHFFFAOYSA-N 0 3 320.436 3.237 20 30 DGEDHN Cc1ccccc1[C@@H](CO)NCc1ccc(N(C)CCC#N)cc1 ZINC000747100689 575496314 /nfs/dbraw/zinc/49/63/14/575496314.db2.gz NKUHBWNYFXQARC-HXUWFJFHSA-N 0 3 323.440 3.168 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCc2ccc(C)o2)cc1 ZINC000747107460 575497051 /nfs/dbraw/zinc/49/70/51/575497051.db2.gz DFKFAIQGQITOBG-QGZVFWFLSA-N 0 3 324.380 3.431 20 30 DGEDHN CC(=NNCc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000748131251 575562911 /nfs/dbraw/zinc/56/29/11/575562911.db2.gz IWRZQYAVFNWCSP-UHFFFAOYSA-N 0 3 311.429 3.141 20 30 DGEDHN C=C(Br)CN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000750185215 575710905 /nfs/dbraw/zinc/71/09/05/575710905.db2.gz JBSNTUOLINTELN-HNNXBMFYSA-N 0 3 309.251 3.101 20 30 DGEDHN C=C(C)CNC(=S)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000751041057 575769256 /nfs/dbraw/zinc/76/92/56/575769256.db2.gz XAMZTWBJTGFFRW-RDJZCZTQSA-N 0 3 317.502 3.080 20 30 DGEDHN C[C@@H](NC(=S)NN=C1CCCC[C@@H]1N1CCCCC1)C1CC1 ZINC000751531505 575789191 /nfs/dbraw/zinc/78/91/91/575789191.db2.gz LNHHKJOFBRBGGD-CJNGLKHVSA-N 0 3 322.522 3.034 20 30 DGEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000752318517 575832064 /nfs/dbraw/zinc/83/20/64/575832064.db2.gz MUVWTMRJLCUYOR-UPJWGTAASA-N 0 3 313.426 3.203 20 30 DGEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000752318514 575832216 /nfs/dbraw/zinc/83/22/16/575832216.db2.gz MUVWTMRJLCUYOR-JHJVBQTASA-N 0 3 313.426 3.203 20 30 DGEDHN CCCN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000725798609 575915793 /nfs/dbraw/zinc/91/57/93/575915793.db2.gz ZKHNMRHZUGRECU-GFCCVEGCSA-N 0 3 301.415 3.204 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000726482294 576026438 /nfs/dbraw/zinc/02/64/38/576026438.db2.gz HKCOJWZZTRPQNS-OAHLLOKOSA-N 0 3 315.486 3.075 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)Cc2cnccn2)cc1Cl ZINC000727469573 576127927 /nfs/dbraw/zinc/12/79/27/576127927.db2.gz ZHOXDKQMRWRXLB-ZDUSSCGKSA-N 0 3 317.820 3.416 20 30 DGEDHN C=CCN(C(=O)NCCCN1CCc2ccccc2C1)C(C)C ZINC000918064209 620695602 /nfs/dbraw/zinc/69/56/02/620695602.db2.gz BVYITHYHTDBWQW-UHFFFAOYSA-N 0 3 315.461 3.041 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000853597585 620714148 /nfs/dbraw/zinc/71/41/48/620714148.db2.gz BXIZIBNWURTYOY-NSHGMRRFSA-N 0 3 310.441 3.317 20 30 DGEDHN C=CC[C@@H]1CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000890563004 617612449 /nfs/dbraw/zinc/61/24/49/617612449.db2.gz LVKHWUNYWTZJCR-SJLPKXTDSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000891542192 617830305 /nfs/dbraw/zinc/83/03/05/617830305.db2.gz KSBFVUVKGYZOQZ-OAHLLOKOSA-N 0 3 319.474 3.247 20 30 DGEDHN C=CCN(CCc1ccccc1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891806428 617904075 /nfs/dbraw/zinc/90/40/75/617904075.db2.gz BHTNTKHYMPKGKZ-MSOLQXFVSA-N 0 3 319.420 3.351 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1csc(C#N)c1 ZINC000894480283 618350482 /nfs/dbraw/zinc/35/04/82/618350482.db2.gz YCGCXVDIYTYECH-UHFFFAOYSA-N 0 3 302.447 3.291 20 30 DGEDHN C#C[C@@H](NCC[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870033 618483834 /nfs/dbraw/zinc/48/38/34/618483834.db2.gz HAWVEVWJQJAPNL-IUODEOHRSA-N 0 3 308.219 3.140 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)NCC#Cc2ccccc2)cc1 ZINC000893296950 618501775 /nfs/dbraw/zinc/50/17/75/618501775.db2.gz GPQSKGDAWJCNTK-OXJNMPFZSA-N 0 3 309.409 3.413 20 30 DGEDHN C#CC1(O)CCN(Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000895384974 618776935 /nfs/dbraw/zinc/77/69/35/618776935.db2.gz WPWDQECJHSSQBD-UHFFFAOYSA-N 0 3 321.420 3.322 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000895494372 618791558 /nfs/dbraw/zinc/79/15/58/618791558.db2.gz FRGHEUGIQTYMJY-XNRPHZJLSA-N 0 3 317.820 3.117 20 30 DGEDHN C#CC1(O)CCN(Cc2cccc(COc3ccccc3)c2)CC1 ZINC000895537361 618796498 /nfs/dbraw/zinc/79/64/98/618796498.db2.gz AWGBOSFMPVDMBE-UHFFFAOYSA-N 0 3 321.420 3.226 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(OCC(C)C)cc2)CC1 ZINC000895674659 618814638 /nfs/dbraw/zinc/81/46/38/618814638.db2.gz BYCKLZBDLMOOBD-UHFFFAOYSA-N 0 3 301.430 3.072 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000895835239 618839706 /nfs/dbraw/zinc/83/97/06/618839706.db2.gz CBEYKOBSSIVUIC-UHFFFAOYSA-N 0 3 317.429 3.235 20 30 DGEDHN N#Cc1c(F)cccc1CNCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896810799 618962755 /nfs/dbraw/zinc/96/27/55/618962755.db2.gz CERLZMCVXHBDNW-BXUZGUMPSA-N 0 3 316.298 3.287 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896925765 618986820 /nfs/dbraw/zinc/98/68/20/618986820.db2.gz PDHQEUJJUBQHHN-NVXWUHKLSA-N 0 3 311.429 3.028 20 30 DGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1OCCc2ccccc21 ZINC000897235144 619034071 /nfs/dbraw/zinc/03/40/71/619034071.db2.gz WOCUAGKDXGDHNB-IBGZPJMESA-N 0 3 310.372 3.491 20 30 DGEDHN C#CCC1(NCc2c(C(C)C)nc3sc(C)nn23)CCC1 ZINC000897350763 619070050 /nfs/dbraw/zinc/07/00/50/619070050.db2.gz LDRVISUGBWCZCU-UHFFFAOYSA-N 0 3 302.447 3.258 20 30 DGEDHN C=C(C)CNC(=S)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000145499401 619075525 /nfs/dbraw/zinc/07/55/25/619075525.db2.gz UABCIDYMDWECEU-AWEZNQCLSA-N 0 3 323.531 3.000 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000897420369 619109369 /nfs/dbraw/zinc/10/93/69/619109369.db2.gz RUNZCTAEIBIZKS-KXBFYZLASA-N 0 3 306.409 3.089 20 30 DGEDHN O=C1C=COC2(CCN(Cc3cccc4cnccc43)CC2)C1 ZINC000897602835 619165588 /nfs/dbraw/zinc/16/55/88/619165588.db2.gz WXVIXGHATSDTBX-UHFFFAOYSA-N 0 3 308.381 3.073 20 30 DGEDHN C#CCN(C(=S)Nc1cc(C)cc(C)c1)C1CCN(C)CC1 ZINC000899614058 619361040 /nfs/dbraw/zinc/36/10/40/619361040.db2.gz VIVPVNCTRAEEKO-UHFFFAOYSA-N 0 3 315.486 3.030 20 30 DGEDHN C(=NOC1CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000902149794 619595833 /nfs/dbraw/zinc/59/58/33/619595833.db2.gz YQUIXSVAPPAPKF-UHFFFAOYSA-N 0 3 300.402 3.206 20 30 DGEDHN C=CCCC[C@H](NC1CC[NH+](CC(=O)[O-])CC1)c1ccccc1 ZINC000902328697 619621389 /nfs/dbraw/zinc/62/13/89/619621389.db2.gz UCDNEUCPVQKFRG-SFHVURJKSA-N 0 3 316.445 3.223 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902741293 619668548 /nfs/dbraw/zinc/66/85/48/619668548.db2.gz AEPDDWUCJXOGQG-QFBILLFUSA-N 0 3 320.440 3.268 20 30 DGEDHN C[C@H](COc1ccc(F)cc1F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902766211 619673087 /nfs/dbraw/zinc/67/30/87/619673087.db2.gz ZDCSVBDBGTZGEK-NEPJUHHUSA-N 0 3 317.339 3.350 20 30 DGEDHN C[C@@H](NC[C@H](C)N1CCc2ccccc21)c1cc(C#N)ccn1 ZINC000902770055 619673403 /nfs/dbraw/zinc/67/34/03/619673403.db2.gz BVHSNKPWBBHYHR-LSDHHAIUSA-N 0 3 306.413 3.055 20 30 DGEDHN Cc1ccc([C@H](CN[C@@H](C)c2cc(C#N)ccn2)N2CCCC2)o1 ZINC000902783605 619675094 /nfs/dbraw/zinc/67/50/94/619675094.db2.gz GMJONFWIXRCKLO-YJBOKZPZSA-N 0 3 324.428 3.342 20 30 DGEDHN Cc1ccc([C@@H](CN[C@H](C)c2cc(C#N)ccn2)N2CCCC2)o1 ZINC000902783602 619675148 /nfs/dbraw/zinc/67/51/48/619675148.db2.gz GMJONFWIXRCKLO-CRAIPNDOSA-N 0 3 324.428 3.342 20 30 DGEDHN C[C@@H](NCC1([C@@H](O)c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902886952 619688447 /nfs/dbraw/zinc/68/84/47/619688447.db2.gz XLGNZBSMZWWHRB-KDOFPFPSSA-N 0 3 307.397 3.118 20 30 DGEDHN C[C@H](NC1CC(OCc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902956815 619697189 /nfs/dbraw/zinc/69/71/89/619697189.db2.gz NAWTYQNMDPYJMC-NNGSBXSVSA-N 0 3 307.397 3.352 20 30 DGEDHN CC[C@@H](N[C@H](C(=O)N(C)CC)C(C)C)c1cccc(C#N)c1 ZINC000903006562 619703744 /nfs/dbraw/zinc/70/37/44/619703744.db2.gz KUSMQFUADBYLCO-SJORKVTESA-N 0 3 301.434 3.102 20 30 DGEDHN C=CCC[C@H](NC[C@H](C)S(C)(=O)=O)c1cccc(Cl)c1 ZINC000903128488 619722867 /nfs/dbraw/zinc/72/28/67/619722867.db2.gz ZMJMKTGJRUMXQR-WFASDCNBSA-N 0 3 315.866 3.370 20 30 DGEDHN COc1cccc(C#N)c1-c1ccc([C@@H]2OCCN[C@H]2C)cc1 ZINC000904912049 619959820 /nfs/dbraw/zinc/95/98/20/619959820.db2.gz ONCYQZOBPQDZBE-ORAYPTAESA-N 0 3 308.381 3.283 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 ZINC000906085438 620055746 /nfs/dbraw/zinc/05/57/46/620055746.db2.gz QKJQBYPCXHBGDM-GSQSYGFSSA-N 0 3 311.429 3.407 20 30 DGEDHN C[C@@]1(C#N)CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000907334775 620149869 /nfs/dbraw/zinc/14/98/69/620149869.db2.gz IRURMSTWLBDEHJ-SFHVURJKSA-N 0 3 310.401 3.057 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC)c(OCC)c1 ZINC000911982397 620357603 /nfs/dbraw/zinc/35/76/03/620357603.db2.gz PVAARDUJHYQPRX-CQSZACIVSA-N 0 3 306.406 3.106 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000912389659 620383840 /nfs/dbraw/zinc/38/38/40/620383840.db2.gz ZNXVMYDQKQPHDX-ZBFHGGJFSA-N 0 3 304.434 3.335 20 30 DGEDHN N#CC1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CCCCC1 ZINC000912529025 620394100 /nfs/dbraw/zinc/39/41/00/620394100.db2.gz WTLJJXNPVUBABA-UHFFFAOYSA-N 0 3 324.428 3.495 20 30 DGEDHN CC(C)(C)C(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000753706044 620459980 /nfs/dbraw/zinc/45/99/80/620459980.db2.gz XWZDKNQCKQMEQF-UHFFFAOYSA-N 0 3 313.445 3.076 20 30 DGEDHN C#CCSCCNCc1ccc(Br)cc1F ZINC000152933261 620528799 /nfs/dbraw/zinc/52/87/99/620528799.db2.gz GQMLKZZSPPWVGX-UHFFFAOYSA-N 0 3 302.212 3.044 20 30 DGEDHN N#Cc1ccccc1N1CCCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000915364087 620581917 /nfs/dbraw/zinc/58/19/17/620581917.db2.gz QNKQGSPEAHDLQD-AWEZNQCLSA-N 0 3 324.255 3.264 20 30 DGEDHN CCOc1ccc(/C=N/[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000920945455 620829484 /nfs/dbraw/zinc/82/94/84/620829484.db2.gz ZRRKXJVNDLAHKU-KOMLCTQHSA-N 0 3 324.424 3.484 20 30 DGEDHN C#CCN1CCC(C(=O)NCC2CCC(CCCC)CC2)CC1 ZINC000921206468 620844625 /nfs/dbraw/zinc/84/46/25/620844625.db2.gz CZXSAFYBDRXJRP-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@@H](c1ccc(C)cc1)N(C)C ZINC000921261427 620845839 /nfs/dbraw/zinc/84/58/39/620845839.db2.gz OYXZDQZZDNINDO-RONKMWSCSA-N 0 3 312.413 3.431 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H](NCc1csc(C#N)c1)C1CC1 ZINC000921772546 620947659 /nfs/dbraw/zinc/94/76/59/620947659.db2.gz BZGCHAXJIUCLBE-CQSZACIVSA-N 0 3 321.446 3.013 20 30 DGEDHN COC1(CNCc2cc(C#N)ccc2Br)CCCC1 ZINC000922149806 620996018 /nfs/dbraw/zinc/99/60/18/620996018.db2.gz OSTLVKDGFDDNCP-UHFFFAOYSA-N 0 3 323.234 3.370 20 30 DGEDHN CCCCCCCCN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856543360 621004190 /nfs/dbraw/zinc/00/41/90/621004190.db2.gz CUWDMGSDDKBUIN-ZWKOTPCHSA-N 0 3 317.477 3.197 20 30 DGEDHN CC[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000922191942 621004227 /nfs/dbraw/zinc/00/42/27/621004227.db2.gz GWAQDTNNFPBCCO-KGLIPLIRSA-N 0 3 323.234 3.368 20 30 DGEDHN C[C@H]1SCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922213913 621006894 /nfs/dbraw/zinc/00/68/94/621006894.db2.gz DMQBSSNMWQMQJI-NOZJJQNGSA-N 0 3 311.248 3.304 20 30 DGEDHN CC(C)n1cc([C@@H]2OCC[C@H]2NCc2csc(C#N)c2)cn1 ZINC000922223690 621008681 /nfs/dbraw/zinc/00/86/81/621008681.db2.gz AHRVNFFZZKYDPY-CVEARBPZSA-N 0 3 316.430 3.017 20 30 DGEDHN CC(=O)N(C)c1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000922288779 621018220 /nfs/dbraw/zinc/01/82/20/621018220.db2.gz RVXRYWDRFKGARS-UHFFFAOYSA-N 0 3 321.424 3.448 20 30 DGEDHN C=C(C)CN(CC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000114712480 621036135 /nfs/dbraw/zinc/03/61/35/621036135.db2.gz JUQSQSUCKGDHAC-HNNXBMFYSA-N 0 3 320.396 3.122 20 30 DGEDHN COC(C)(C)[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000922583854 621062206 /nfs/dbraw/zinc/06/22/06/621062206.db2.gz VOCHDGSBOWRDCQ-SNVBAGLBSA-N 0 3 311.223 3.224 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)c(F)c1 ZINC000922698912 621084632 /nfs/dbraw/zinc/08/46/32/621084632.db2.gz TVKJIRUUMCDEQE-GXTWGEPZSA-N 0 3 316.298 3.287 20 30 DGEDHN Cc1cc(C#N)cc(C)c1COC(=O)C1CCN(C2CC2)CC1 ZINC000922709304 621087276 /nfs/dbraw/zinc/08/72/76/621087276.db2.gz QRQDPZHRUZHEGM-UHFFFAOYSA-N 0 3 312.413 3.093 20 30 DGEDHN Cc1ccc(-c2nn(C)cc2CNCc2ccc(C)c(C#N)c2)o1 ZINC000922760601 621095962 /nfs/dbraw/zinc/09/59/62/621095962.db2.gz WTLLZIRAMNNOOU-UHFFFAOYSA-N 0 3 320.396 3.458 20 30 DGEDHN C[C@]1(CNCc2cc(C#N)ccc2Br)CCCCO1 ZINC000922817401 621104409 /nfs/dbraw/zinc/10/44/09/621104409.db2.gz NKWZANVRALCQFO-OAHLLOKOSA-N 0 3 323.234 3.370 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000922893305 621120607 /nfs/dbraw/zinc/12/06/07/621120607.db2.gz GCDZNONYEXBGOG-LJQANCHMSA-N 0 3 311.429 3.309 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858022984 621146617 /nfs/dbraw/zinc/14/66/17/621146617.db2.gz DHSLBRVSWNZAQZ-OLMNPRSZSA-N 0 3 311.429 3.494 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(C)c(F)cc1Br ZINC000858174878 621161565 /nfs/dbraw/zinc/16/15/65/621161565.db2.gz XHCPVXARKIJZGQ-LBPRGKRZSA-N 0 3 316.214 3.313 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000858335415 621177444 /nfs/dbraw/zinc/17/74/44/621177444.db2.gz UKZYBRYPUBRXFD-KRWDZBQOSA-N 0 3 310.397 3.310 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000858334896 621177540 /nfs/dbraw/zinc/17/75/40/621177540.db2.gz HTISRCVFTFYCCC-NSHDSACASA-N 0 3 303.736 3.069 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](CCC)c1cc(C)sc1C ZINC000858404532 621186254 /nfs/dbraw/zinc/18/62/54/621186254.db2.gz SXLXFAZVBCNKCE-OAHLLOKOSA-N 0 3 315.504 3.397 20 30 DGEDHN CC(=O)N(C)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000858497333 621198003 /nfs/dbraw/zinc/19/80/03/621198003.db2.gz XTBBVTQXHKFPDL-CQSZACIVSA-N 0 3 307.397 3.392 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116592012 621254782 /nfs/dbraw/zinc/25/47/82/621254782.db2.gz WOOXKWCYBJYXFD-CZUORRHYSA-N 0 3 318.392 3.335 20 30 DGEDHN N#Cc1ccc(COC(=O)C2CN(C3CCCCC3)C2)c(F)c1 ZINC000838464054 621256898 /nfs/dbraw/zinc/25/68/98/621256898.db2.gz VHVFLQHJLLLQSM-UHFFFAOYSA-N 0 3 316.376 3.005 20 30 DGEDHN N#Cc1ccc(F)c(COC(=O)C2CN(C3CCCCC3)C2)c1 ZINC000838464069 621256936 /nfs/dbraw/zinc/25/69/36/621256936.db2.gz VNUARMZJTAWVDP-UHFFFAOYSA-N 0 3 316.376 3.005 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CCc1ccccc1)CCN(C)C ZINC000838665640 621271020 /nfs/dbraw/zinc/27/10/20/621271020.db2.gz SCXLDPWFKBZBIY-UHFFFAOYSA-N 0 3 317.477 3.015 20 30 DGEDHN C[C@@H]1C[C@H](OC(=O)CCCC#N)CN(Cc2ccccc2)C1 ZINC000839089240 621327067 /nfs/dbraw/zinc/32/70/67/621327067.db2.gz CBZFOIQCVXBKEM-WBVHZDCISA-N 0 3 300.402 3.134 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000788134695 621339020 /nfs/dbraw/zinc/33/90/20/621339020.db2.gz JQDCOPDGMAWMNU-IBGZPJMESA-N 0 3 324.468 3.351 20 30 DGEDHN CCN(CC)Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)o1 ZINC000839445721 621375632 /nfs/dbraw/zinc/37/56/32/621375632.db2.gz TXUUOSOAEZMZOR-KBPBESRZSA-N 0 3 304.390 3.361 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000860463330 621408164 /nfs/dbraw/zinc/40/81/64/621408164.db2.gz AMWGEGYZIGUSQG-ZNMIVQPWSA-N 0 3 318.442 3.257 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)C(F)(F)F)c1 ZINC000860469425 621408474 /nfs/dbraw/zinc/40/84/74/621408474.db2.gz QSTYYAJJLFZEJZ-PWSUYJOCSA-N 0 3 312.291 3.231 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)CC1 ZINC000754485451 621513087 /nfs/dbraw/zinc/51/30/87/621513087.db2.gz HKNSRLVQAHVOSW-UHFFFAOYSA-N 0 3 324.346 3.298 20 30 DGEDHN CCN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCN(C)CC1 ZINC000861892838 621543132 /nfs/dbraw/zinc/54/31/32/621543132.db2.gz UECFMJRUOHLPIB-KRWDZBQOSA-N 0 3 313.445 3.017 20 30 DGEDHN C#C[C@@H](NCc1csc(C(F)(F)F)c1)C1CCOCC1 ZINC000862418419 621587556 /nfs/dbraw/zinc/58/75/56/621587556.db2.gz IUBLBIXLJADTEE-GFCCVEGCSA-N 0 3 303.349 3.285 20 30 DGEDHN CC(=O)C(C)(C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000755748788 621590545 /nfs/dbraw/zinc/59/05/45/621590545.db2.gz MNJUICYMSJYPNK-HNNXBMFYSA-N 0 3 314.385 3.038 20 30 DGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(Br)cc1 ZINC000755892925 621600528 /nfs/dbraw/zinc/60/05/28/621600528.db2.gz NCFZEHWUTRFVKJ-SNVBAGLBSA-N 0 3 308.223 3.331 20 30 DGEDHN CCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)COC1 ZINC000756277527 621624297 /nfs/dbraw/zinc/62/42/97/621624297.db2.gz WDKSMCQSNSPTAP-SNVBAGLBSA-N 0 3 304.346 3.038 20 30 DGEDHN COCC(=NNc1ccnc(C)c1)c1cccc(C(F)(F)F)c1 ZINC000863159251 621643609 /nfs/dbraw/zinc/64/36/09/621643609.db2.gz JEFVSXJFLDHPIS-UHFFFAOYSA-N 0 3 323.318 3.293 20 30 DGEDHN C=C(C)[C@H](CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1)OCC ZINC000756547083 621646715 /nfs/dbraw/zinc/64/67/15/621646715.db2.gz IFDWQRVIFGGKOH-MSOLQXFVSA-N 0 3 317.429 3.175 20 30 DGEDHN C#CC[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1 ZINC000756998504 621678132 /nfs/dbraw/zinc/67/81/32/621678132.db2.gz XDUJYOOFNAJIMU-SFHVURJKSA-N 0 3 320.371 3.261 20 30 DGEDHN C#CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000756997857 621678205 /nfs/dbraw/zinc/67/82/05/621678205.db2.gz OTSWSHQSLYQSTA-OAQYLSRUSA-N 0 3 320.436 3.377 20 30 DGEDHN C#CC[C@H](NCc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000756998717 621678379 /nfs/dbraw/zinc/67/83/79/621678379.db2.gz ZZSMMTOYSGCXIS-IBGZPJMESA-N 0 3 302.381 3.122 20 30 DGEDHN N#CC(C(=O)CCc1cccnc1)c1ccc2ccccc2n1 ZINC000759187745 621833695 /nfs/dbraw/zinc/83/36/95/621833695.db2.gz NVKNLODUHDZJRN-INIZCTEOSA-N 0 3 301.349 3.439 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000759655590 621879967 /nfs/dbraw/zinc/87/99/67/621879967.db2.gz OYOWEWWEHGMWEP-SJORKVTESA-N 0 3 301.434 3.038 20 30 DGEDHN Cc1cc(N(C)C)ccc1CNCc1cc(C#N)ccc1N(C)C ZINC000865466115 621927491 /nfs/dbraw/zinc/92/74/91/621927491.db2.gz QLEAIABIAPJTLQ-UHFFFAOYSA-N 0 3 322.456 3.289 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000865725094 621984037 /nfs/dbraw/zinc/98/40/37/621984037.db2.gz DERSGLDFXFPCQP-HNNXBMFYSA-N 0 3 322.408 3.340 20 30 DGEDHN N#Cc1csc(CN[C@@H](Cc2cccnc2)C2CCCC2)n1 ZINC000865835140 622003919 /nfs/dbraw/zinc/00/39/19/622003919.db2.gz ZNJXPCOHDKUGKT-INIZCTEOSA-N 0 3 312.442 3.301 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H]1CCc2cccc3cccc1c32 ZINC000866335720 622096305 /nfs/dbraw/zinc/09/63/05/622096305.db2.gz LKYYLURVAFNASA-KRWDZBQOSA-N 0 3 315.438 3.018 20 30 DGEDHN C[C@@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1[O-])N1CCCCC1 ZINC000866338395 622096994 /nfs/dbraw/zinc/09/69/94/622096994.db2.gz RBXOQAOFWULWOX-GJZGRUSLSA-N 0 3 301.434 3.179 20 30 DGEDHN C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccc(C#N)c1[O-] ZINC000866346639 622099026 /nfs/dbraw/zinc/09/90/26/622099026.db2.gz MOMHDEYDLBLBKB-CQSZACIVSA-N 0 3 301.434 3.036 20 30 DGEDHN COC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000866596343 622143851 /nfs/dbraw/zinc/14/38/51/622143851.db2.gz DTNSQVNCCYJQPM-GLQYFDAESA-N 0 3 323.234 3.418 20 30 DGEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cn2ccccc2n1 ZINC000866617578 622148207 /nfs/dbraw/zinc/14/82/07/622148207.db2.gz LSFPFGDTRIESNB-DYVFJYSZSA-N 0 3 302.381 3.024 20 30 DGEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cn2ccccc2n1 ZINC000866617577 622148253 /nfs/dbraw/zinc/14/82/53/622148253.db2.gz LSFPFGDTRIESNB-CXAGYDPISA-N 0 3 302.381 3.024 20 30 DGEDHN C#CCN(CCCc1nc(-c2ccc(C)c(F)c2)no1)C1CC1 ZINC000763950196 622170620 /nfs/dbraw/zinc/17/06/20/622170620.db2.gz SVNCHGBQHDWWGP-UHFFFAOYSA-N 0 3 313.376 3.214 20 30 DGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CCCCO1 ZINC000121977708 622207381 /nfs/dbraw/zinc/20/73/81/622207381.db2.gz QXOHCSHKQJRHCG-RDJZCZTQSA-N 0 3 322.364 3.056 20 30 DGEDHN CN(C)c1ccc(C=NNCc2cnc3ccccc3c2)cc1 ZINC000764788028 622220601 /nfs/dbraw/zinc/22/06/01/622220601.db2.gz IHBYOUFHBXNIQM-UHFFFAOYSA-N 0 3 304.397 3.425 20 30 DGEDHN CCC#C[C@@H](C)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026263 622240490 /nfs/dbraw/zinc/24/04/90/622240490.db2.gz PZFKVGXKAZHVCP-CRAIPNDOSA-N 0 3 306.450 3.121 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000805310670 622282705 /nfs/dbraw/zinc/28/27/05/622282705.db2.gz UBCLJHQKHZYKBF-IBGZPJMESA-N 0 3 314.473 3.408 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2C)cc1 ZINC000766399138 622326700 /nfs/dbraw/zinc/32/67/00/622326700.db2.gz IZJRJKALNJOASN-UZLBHIALSA-N 0 3 309.409 3.391 20 30 DGEDHN Cc1cccc(CO[C@@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000870134812 622436394 /nfs/dbraw/zinc/43/63/94/622436394.db2.gz PFSYBWSWUHGAFL-YOEHRIQHSA-N 0 3 323.396 3.183 20 30 DGEDHN CCOCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000870135709 622436399 /nfs/dbraw/zinc/43/63/99/622436399.db2.gz DFXLSLWXNNXLTA-MRXNPFEDSA-N 0 3 316.401 3.239 20 30 DGEDHN CCOC1CC2(C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000870162903 622437864 /nfs/dbraw/zinc/43/78/64/622437864.db2.gz PYNSMRNAXQJVJR-MWDZPIOTSA-N 0 3 310.353 3.209 20 30 DGEDHN C#CCN(CC)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000769105553 622498531 /nfs/dbraw/zinc/49/85/31/622498531.db2.gz NFCOFWBWCVMRDL-UHFFFAOYSA-N 0 3 307.319 3.346 20 30 DGEDHN C=CCOc1ccc(CN2CCC(N(C)CC(F)F)CC2)cc1 ZINC000769509231 622535860 /nfs/dbraw/zinc/53/58/60/622535860.db2.gz IWCSNCXWTIYBFM-UHFFFAOYSA-N 0 3 324.415 3.413 20 30 DGEDHN Cc1nccn1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000123521573 622571352 /nfs/dbraw/zinc/57/13/52/622571352.db2.gz FYPPFUXBUAJDPQ-CQSZACIVSA-N 0 3 322.393 3.192 20 30 DGEDHN C#C[C@H]1CC[C@H](N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000872140545 622830678 /nfs/dbraw/zinc/83/06/78/622830678.db2.gz QKFQFHOKPGHWFI-JVPBZIDWSA-N 0 3 311.404 3.430 20 30 DGEDHN COc1ccc(CN2CCC[C@H](OC3CCC3)CC2)cc1C#N ZINC000872262137 622871989 /nfs/dbraw/zinc/87/19/89/622871989.db2.gz QVGJAKJXWNTRRG-SFHVURJKSA-N 0 3 314.429 3.490 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1ccco1 ZINC000772643709 622922780 /nfs/dbraw/zinc/92/27/80/622922780.db2.gz DPGNISAVLXWXAJ-MRXNPFEDSA-N 0 3 324.380 3.294 20 30 DGEDHN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1C#N ZINC000773076368 622978619 /nfs/dbraw/zinc/97/86/19/622978619.db2.gz NBWIOADSTKEZHN-AWEZNQCLSA-N 0 3 309.413 3.484 20 30 DGEDHN C#CC[C@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000773107397 622985125 /nfs/dbraw/zinc/98/51/25/622985125.db2.gz NTTNWCHSXAAYLS-BEFAXECRSA-N 0 3 317.396 3.078 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773768982 623071671 /nfs/dbraw/zinc/07/16/71/623071671.db2.gz HMSRBENTRXEILI-SWLSCSKDSA-N 0 3 318.442 3.428 20 30 DGEDHN CCCCCCCC[C@H](O)CCC(=O)N1CCN2CCC1CC2 ZINC000774097859 623107044 /nfs/dbraw/zinc/10/70/44/623107044.db2.gz VHPBZVFJFGZGDW-SFHVURJKSA-N 0 3 324.509 3.185 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC[C@H]2OC)c([O-])c1 ZINC000774542958 623159167 /nfs/dbraw/zinc/15/91/67/623159167.db2.gz SEXGAYBEBGFTGU-KLXUNFHHSA-N 0 3 304.434 3.472 20 30 DGEDHN C#C[C@H](C)N(C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000775184017 623239260 /nfs/dbraw/zinc/23/92/60/623239260.db2.gz SGKJDUNLFYZKOL-LBPRGKRZSA-N 0 3 307.319 3.345 20 30 DGEDHN C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)c1cccc(C#N)c1 ZINC000775309339 623251339 /nfs/dbraw/zinc/25/13/39/623251339.db2.gz BEOZWDBYUIBHKR-AWEZNQCLSA-N 0 3 319.408 3.318 20 30 DGEDHN C[C@@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cccc(C#N)c1 ZINC000775337307 623255388 /nfs/dbraw/zinc/25/53/88/623255388.db2.gz DBFLAWAMCUANQH-RDTXWAMCSA-N 0 3 321.380 3.234 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)COc1ccc(C)cc1C)c1ccccc1 ZINC000775405044 623270702 /nfs/dbraw/zinc/27/07/02/623270702.db2.gz UKGKDTGAOIYPSK-UXHICEINSA-N 0 3 323.436 3.397 20 30 DGEDHN C#C[C@H](N[C@H](C)c1ccc(-n2ccnc2C)cc1)[C@@H]1CCCO1 ZINC000775573062 623291816 /nfs/dbraw/zinc/29/18/16/623291816.db2.gz FUOBEAKROBDSJT-CCKFTAQKSA-N 0 3 309.413 3.012 20 30 DGEDHN CC(C)CN(CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000775605172 623296043 /nfs/dbraw/zinc/29/60/43/623296043.db2.gz XYMPCDGUXYSYOK-UHFFFAOYSA-N 0 3 307.482 3.143 20 30 DGEDHN CC(C)C[C@@H](CO)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000775755198 623326303 /nfs/dbraw/zinc/32/63/03/623326303.db2.gz XSJNYDODYQXNMY-HNNXBMFYSA-N 0 3 310.825 3.081 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874833390 623365079 /nfs/dbraw/zinc/36/50/79/623365079.db2.gz LCDQESYYUPKOHT-HZPDHXFCSA-N 0 3 316.470 3.273 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000874834616 623365710 /nfs/dbraw/zinc/36/57/10/623365710.db2.gz UGEYTGACLBUBRZ-FHWLQOOXSA-N 0 3 312.457 3.432 20 30 DGEDHN CN(C)c1ccncc1CN=Nc1ncc(Cl)cc1Cl ZINC000776178865 623391260 /nfs/dbraw/zinc/39/12/60/623391260.db2.gz FFMFYHDFGUNPDX-UHFFFAOYSA-N 0 3 310.188 3.295 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000776744605 623459108 /nfs/dbraw/zinc/45/91/08/623459108.db2.gz AOORNHGQUPLIAG-QLJPJBMISA-N 0 3 320.314 3.360 20 30 DGEDHN COC[C@@H](C)NN=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000777903531 623582900 /nfs/dbraw/zinc/58/29/00/623582900.db2.gz SZUVDGGFOWIOQO-OAHLLOKOSA-N 0 3 303.450 3.416 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1cccnc1 ZINC000778155869 623616871 /nfs/dbraw/zinc/61/68/71/623616871.db2.gz KDNXJHHLJQFYJD-UHFFFAOYSA-N 0 3 300.789 3.079 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC[C@H]1CCCCO1 ZINC000778177351 623621541 /nfs/dbraw/zinc/62/15/41/623621541.db2.gz AAQKGXPOBJJSES-CQSZACIVSA-N 0 3 307.821 3.401 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCSc1ccc(Cl)cc1 ZINC000876564157 623645451 /nfs/dbraw/zinc/64/54/51/623645451.db2.gz ILDDVDMYQOCZRU-GFCCVEGCSA-N 0 3 319.257 3.018 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(Br)c1C ZINC000876576008 623649576 /nfs/dbraw/zinc/64/95/76/623649576.db2.gz AUVLAASBSUYQKS-JTQLQIEISA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 ZINC000876583724 623650779 /nfs/dbraw/zinc/65/07/79/623650779.db2.gz OQAYTQWFISNFDR-UWVGGRQHSA-N 0 3 313.854 3.066 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000876606707 623658224 /nfs/dbraw/zinc/65/82/24/623658224.db2.gz DLFTZQRWVGNDIX-INIZCTEOSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000876607949 623658513 /nfs/dbraw/zinc/65/85/13/623658513.db2.gz VGLDHRKUDLRINX-DGCLKSJQSA-N 0 3 306.793 3.388 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000876620681 623662124 /nfs/dbraw/zinc/66/21/24/623662124.db2.gz OXBAUDIEEJATDP-HRCADAONSA-N 0 3 306.837 3.299 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1OCCC(C)C ZINC000876630127 623665011 /nfs/dbraw/zinc/66/50/11/623665011.db2.gz RMNQZTZUROFKEL-HNNXBMFYSA-N 0 3 324.852 3.198 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000876639939 623666768 /nfs/dbraw/zinc/66/67/68/623666768.db2.gz XXCVHFMCXNMSKL-INIZCTEOSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccc(Cl)s1 ZINC000876663304 623674087 /nfs/dbraw/zinc/67/40/87/623674087.db2.gz RSLBBAXYHMQXBT-RKDXNWHRSA-N 0 3 307.246 3.439 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000876670932 623676894 /nfs/dbraw/zinc/67/68/94/623676894.db2.gz IARGPPWLINLYHY-BXUZGUMPSA-N 0 3 315.244 3.199 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC)CCc1ccccc1 ZINC000876680545 623680627 /nfs/dbraw/zinc/68/06/27/623680627.db2.gz FLTAWNAKNCTBJQ-CVEARBPZSA-N 0 3 308.853 3.374 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000876686890 623682022 /nfs/dbraw/zinc/68/20/22/623682022.db2.gz JSOHNXBBXKENDP-ONERCXAPSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000876685686 623682325 /nfs/dbraw/zinc/68/23/25/623682325.db2.gz ULFMGOUMQLJKGQ-MAZHCROVSA-N 0 3 306.837 3.109 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](CC)Cc1ccccc1 ZINC000876688116 623682380 /nfs/dbraw/zinc/68/23/80/623682380.db2.gz QDVXJOLOUDRIGT-JKSUJKDBSA-N 0 3 308.853 3.326 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000876699847 623686081 /nfs/dbraw/zinc/68/60/81/623686081.db2.gz KGERCAAZQZPETE-KCJUWKMLSA-N 0 3 305.180 3.126 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000876708061 623686448 /nfs/dbraw/zinc/68/64/48/623686448.db2.gz GOSSAFHPCXMKHZ-OAHLLOKOSA-N 0 3 309.841 3.330 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000876883611 623735385 /nfs/dbraw/zinc/73/53/85/623735385.db2.gz KUBQDABESIILCH-YUELXQCFSA-N 0 3 310.800 3.048 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000876906824 623741314 /nfs/dbraw/zinc/74/13/14/623741314.db2.gz IRNCMNRSZSSBAM-HOTGVXAUSA-N 0 3 306.837 3.383 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOc2c1cccc2C(C)(C)C ZINC000876906968 623741350 /nfs/dbraw/zinc/74/13/50/623741350.db2.gz LUUYBJIVYLPPOA-ZDUSSCGKSA-N 0 3 322.836 3.179 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000876969823 623757086 /nfs/dbraw/zinc/75/70/86/623757086.db2.gz BDYZQWTZPNGWEB-HNNXBMFYSA-N 0 3 310.800 3.034 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccc(OC)c1)CC(C)C ZINC000876986832 623759919 /nfs/dbraw/zinc/75/99/19/623759919.db2.gz MQTNEHANFUVOMM-MRXNPFEDSA-N 0 3 324.852 3.150 20 30 DGEDHN C[C@@H](Cc1cccc(O)c1)NCc1cc(C#N)cnc1Cl ZINC000877018867 623767485 /nfs/dbraw/zinc/76/74/85/623767485.db2.gz RXMXPNFTOHETLK-NSHDSACASA-N 0 3 301.777 3.033 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2CC(C)C)CC1 ZINC000790598256 625674767 /nfs/dbraw/zinc/67/47/67/625674767.db2.gz ZTQDVOJXGHYVGE-UHFFFAOYSA-N 0 3 300.446 3.265 20 30 DGEDHN C=CCCCCCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000779436655 623770523 /nfs/dbraw/zinc/77/05/23/623770523.db2.gz LJXFLWPSPFWAAD-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C#CCCCCNCc1nc2cc(Br)ccc2o1 ZINC000877087055 623788214 /nfs/dbraw/zinc/78/82/14/623788214.db2.gz GIPPWMGOFVLHEZ-UHFFFAOYSA-N 0 3 307.191 3.483 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000779706486 623788362 /nfs/dbraw/zinc/78/83/62/623788362.db2.gz FOROFDCEGZEYRA-VJNITRBWSA-N 0 3 304.434 3.472 20 30 DGEDHN Cc1noc(C)c1[C@@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877112432 623793241 /nfs/dbraw/zinc/79/32/41/623793241.db2.gz UBLWKZZANHHUBJ-VIFPVBQESA-N 0 3 304.781 3.105 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(Cl)c(C)c2C1 ZINC000877287810 623843298 /nfs/dbraw/zinc/84/32/98/623843298.db2.gz AXXHZDXUONHOPZ-AWEZNQCLSA-N 0 3 313.228 3.003 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](NCCC#N)CC[C@H]21 ZINC000877484009 623905846 /nfs/dbraw/zinc/90/58/46/623905846.db2.gz SROJLMXXWHGHQH-QLFBSQMISA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)[C@H](NCc1cc(C#N)cnc1Cl)C1(CO)CCCC1 ZINC000877578109 623950523 /nfs/dbraw/zinc/95/05/23/623950523.db2.gz VBMIMXVGQDOKHF-HNNXBMFYSA-N 0 3 321.852 3.274 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC2(C#N)CCC2)C12CCC2 ZINC000877594449 623955830 /nfs/dbraw/zinc/95/58/30/623955830.db2.gz URDIGLNEYHKTJV-ZIAGYGMSSA-N 0 3 319.449 3.106 20 30 DGEDHN CCC(O)(CC)C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877623389 623967190 /nfs/dbraw/zinc/96/71/90/623967190.db2.gz OBYJSSXBFLMBLB-UHFFFAOYSA-N 0 3 309.841 3.274 20 30 DGEDHN CCc1nn(C)c(CC)c1CN(C)CCc1cccc(C#N)c1 ZINC000877704707 623998582 /nfs/dbraw/zinc/99/85/82/623998582.db2.gz SHRAWLCIAJERIW-UHFFFAOYSA-N 0 3 310.445 3.091 20 30 DGEDHN CCOc1ccc(C[N@H+](C)CCc2cccc(C#N)c2)c([O-])c1 ZINC000877704644 623999104 /nfs/dbraw/zinc/99/91/04/623999104.db2.gz SEVPHDYIUIMBDJ-UHFFFAOYSA-N 0 3 310.397 3.337 20 30 DGEDHN CCOc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)c([O-])c1 ZINC000877704644 623999108 /nfs/dbraw/zinc/99/91/08/623999108.db2.gz SEVPHDYIUIMBDJ-UHFFFAOYSA-N 0 3 310.397 3.337 20 30 DGEDHN COc1cccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000781421170 624068782 /nfs/dbraw/zinc/06/87/82/624068782.db2.gz FJSRFMKRVOVTCU-KZULUSFZSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000781422410 624068823 /nfs/dbraw/zinc/06/88/23/624068823.db2.gz OUBBDQCZSDTMJH-ZFWWWQNUSA-N 0 3 318.392 3.424 20 30 DGEDHN COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000781421171 624069316 /nfs/dbraw/zinc/06/93/16/624069316.db2.gz FJSRFMKRVOVTCU-SGTLLEGYSA-N 0 3 314.360 3.090 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000877917051 624091510 /nfs/dbraw/zinc/09/15/10/624091510.db2.gz NPKGTTSYFGGZKX-SFHVURJKSA-N 0 3 301.430 3.260 20 30 DGEDHN C(=NOCC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000781609409 624104216 /nfs/dbraw/zinc/10/42/16/624104216.db2.gz BKJURBMMZJMDRC-UHFFFAOYSA-N 0 3 302.418 3.454 20 30 DGEDHN C[C@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(C#N)cc1F ZINC000878407093 624269575 /nfs/dbraw/zinc/26/95/75/624269575.db2.gz KMNNTWMEYVJHMW-DZGCQCFKSA-N 0 3 318.392 3.076 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCS2)cc1 ZINC000783352835 624339756 /nfs/dbraw/zinc/33/97/56/624339756.db2.gz KEEZXZVYAXRZGP-GJZGRUSLSA-N 0 3 316.426 3.182 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000783532689 624362728 /nfs/dbraw/zinc/36/27/28/624362728.db2.gz TVCVEXUPOCYSDI-SFHVURJKSA-N 0 3 321.486 3.378 20 30 DGEDHN C#CCOCCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000784079007 624434095 /nfs/dbraw/zinc/43/40/95/624434095.db2.gz HGEFSSNZJDDIMZ-INIZCTEOSA-N 0 3 322.408 3.239 20 30 DGEDHN C#CC[C@H](NCc1cn(-c2ccncc2)nc1C)c1ccccc1 ZINC000784587222 624552948 /nfs/dbraw/zinc/55/29/48/624552948.db2.gz CXFNSBBHRXMBMK-FQEVSTJZSA-N 0 3 316.408 3.430 20 30 DGEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC000879734492 624657634 /nfs/dbraw/zinc/65/76/34/624657634.db2.gz JNGYAXOZKLHYOT-INIZCTEOSA-N 0 3 315.373 3.048 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CCCC2)c1 ZINC000786541588 624916817 /nfs/dbraw/zinc/91/68/17/624916817.db2.gz PVKYMKJOSRGDFJ-KRWDZBQOSA-N 0 3 312.413 3.291 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)C)c1 ZINC000786550337 624918506 /nfs/dbraw/zinc/91/85/06/624918506.db2.gz VVEHWAMLBAXLQQ-GOEBONIOSA-N 0 3 300.402 3.002 20 30 DGEDHN CCOC(=O)c1sc([C@@H]2CCN([C@@H](C)CCC#N)C2)nc1C ZINC000880324824 624919854 /nfs/dbraw/zinc/91/98/54/624919854.db2.gz NLWMLQYTYADBCK-WCQYABFASA-N 0 3 321.446 3.110 20 30 DGEDHN C=CCCC[C@H](NCC(=O)Nc1cnccn1)c1ccccc1 ZINC000880389197 624948522 /nfs/dbraw/zinc/94/85/22/624948522.db2.gz DZHNCFJLWGOXEE-INIZCTEOSA-N 0 3 310.401 3.102 20 30 DGEDHN C#CCC1(O)CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000880479744 624965253 /nfs/dbraw/zinc/96/52/53/624965253.db2.gz WOYUUYRGKSPRDB-UHFFFAOYSA-N 0 3 314.816 3.238 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)c(C#N)c2)cn1 ZINC000880518954 624971098 /nfs/dbraw/zinc/97/10/98/624971098.db2.gz GPARYRDRMJKYPM-DODVFSASSA-N 0 3 324.403 3.341 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2C#N)cn1 ZINC000880517136 624971223 /nfs/dbraw/zinc/97/12/23/624971223.db2.gz FBVRWPMHTABPFZ-JLYLLQBASA-N 0 3 306.413 3.202 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1)c1ccccc1 ZINC000787048080 624974464 /nfs/dbraw/zinc/97/44/64/624974464.db2.gz ZIRJHSNIRZCWEB-IMJJTQAJSA-N 0 3 324.380 3.359 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065533 624975098 /nfs/dbraw/zinc/97/50/98/624975098.db2.gz HYNRURNZRRSPFP-WMLDXEAASA-N 0 3 314.429 3.426 20 30 DGEDHN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787072292 624975693 /nfs/dbraw/zinc/97/56/93/624975693.db2.gz HRFOJKDPOAFYSC-HYVNUMGLSA-N 0 3 312.413 3.180 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787072206 624975848 /nfs/dbraw/zinc/97/58/48/624975848.db2.gz FQNKLAWFPOHWFO-WBVHZDCISA-N 0 3 314.429 3.426 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCCCC1 ZINC000787068566 624975924 /nfs/dbraw/zinc/97/59/24/624975924.db2.gz NCBXDAZBLXZQPD-QGZVFWFLSA-N 0 3 312.413 3.324 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000787074292 624976468 /nfs/dbraw/zinc/97/64/68/624976468.db2.gz QLKDSVPKGPNILC-HZPDHXFCSA-N 0 3 312.413 3.180 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000787074288 624976745 /nfs/dbraw/zinc/97/67/45/624976745.db2.gz QLKDSVPKGPNILC-HOTGVXAUSA-N 0 3 312.413 3.180 20 30 DGEDHN C#Cc1ccc(CN2CCC(NC(=O)CC3CCCC3)CC2)cc1 ZINC000787771304 625048244 /nfs/dbraw/zinc/04/82/44/625048244.db2.gz NHSYSSYIIAHBRK-UHFFFAOYSA-N 0 3 324.468 3.329 20 30 DGEDHN CCN(C)c1ccc(C(C)=NN[C@H](CO)c2ccccc2)cc1 ZINC000788458881 625182164 /nfs/dbraw/zinc/18/21/64/625182164.db2.gz ABAXYKZZJVOTOG-LJQANCHMSA-N 0 3 311.429 3.190 20 30 DGEDHN OC[C@@H](NN=C1CCCC[C@H]1N1CCCCC1)c1ccccc1 ZINC000788459335 625182487 /nfs/dbraw/zinc/18/24/87/625182487.db2.gz FTPWCOZNHUVXJA-RTBURBONSA-N 0 3 315.461 3.094 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)N(CCN(C)C)CC(C)C ZINC000880992561 625191068 /nfs/dbraw/zinc/19/10/68/625191068.db2.gz VBNZJMCOFANMIL-UHFFFAOYSA-N 0 3 320.412 3.057 20 30 DGEDHN C#Cc1ccc(CNCc2c(C)[nH]c(C(=O)OCC)c2C)cc1 ZINC000883131967 625938047 /nfs/dbraw/zinc/93/80/47/625938047.db2.gz AOSKZTQSGTVUJU-UHFFFAOYSA-N 0 3 310.397 3.079 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc2cnn(C(C)C)c2nc1Cl ZINC000883138575 625940740 /nfs/dbraw/zinc/94/07/40/625940740.db2.gz IRBBGNMNMXUQNT-AWEZNQCLSA-N 0 3 322.840 3.082 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000131174353 625959952 /nfs/dbraw/zinc/95/99/52/625959952.db2.gz VYYFFWJCFXZLBL-OAHLLOKOSA-N 0 3 305.381 3.481 20 30 DGEDHN C[C@H](C#N)OCCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000796135418 626025218 /nfs/dbraw/zinc/02/52/18/626025218.db2.gz KSJLVRACSPQBCN-CXAGYDPISA-N 0 3 308.372 3.477 20 30 DGEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000796630980 626067748 /nfs/dbraw/zinc/06/77/48/626067748.db2.gz QYLYIIZOWYLDQH-QMMMGPOBSA-N 0 3 318.682 3.172 20 30 DGEDHN C=CCC[C@@H](NCCNC(=O)c1ccc(F)cc1)c1ccco1 ZINC000796705060 626074957 /nfs/dbraw/zinc/07/49/57/626074957.db2.gz SMCRXDOJXLVZRV-MRXNPFEDSA-N 0 3 316.376 3.446 20 30 DGEDHN Cc1cncc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000796775972 626081346 /nfs/dbraw/zinc/08/13/46/626081346.db2.gz SBAGTKCXEYDUCG-CQSZACIVSA-N 0 3 305.337 3.340 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCC(F)F)c1ccccc1 ZINC000796891239 626093668 /nfs/dbraw/zinc/09/36/68/626093668.db2.gz DSQORANRYVFUPM-STQMWFEESA-N 0 3 308.328 3.008 20 30 DGEDHN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)[C@H]1c1ccccc1 ZINC000797549224 626152059 /nfs/dbraw/zinc/15/20/59/626152059.db2.gz XHZBLDPJSKDEQQ-LIRZEXBASA-N 0 3 318.376 3.384 20 30 DGEDHN CCN1CCCC[C@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567957 626154152 /nfs/dbraw/zinc/15/41/52/626154152.db2.gz DJDOZDVMOUKEMI-OLZOCXBDSA-N 0 3 319.474 3.491 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2sccc2CC#N)c1 ZINC000867021206 626164471 /nfs/dbraw/zinc/16/44/71/626164471.db2.gz WFORWQXMWQDZNZ-UHFFFAOYSA-N 0 3 313.426 3.437 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2csc3ccccc32)C1=O ZINC000798393186 626215126 /nfs/dbraw/zinc/21/51/26/626215126.db2.gz LRZKZJLJIFUEML-SWLSCSKDSA-N 0 3 300.427 3.339 20 30 DGEDHN CC(C)[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)N(C)C ZINC000798813920 626247664 /nfs/dbraw/zinc/24/76/64/626247664.db2.gz AQCHOZZZWWZNLG-RISCZKNCSA-N 0 3 301.415 3.059 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cc1C#N ZINC000799600900 626312272 /nfs/dbraw/zinc/31/22/72/626312272.db2.gz UADGJPDGWKMFKB-HNNXBMFYSA-N 0 3 314.348 3.243 20 30 DGEDHN Cc1nc(C(C)N=Nc2ccc(C#N)c(C(F)(F)F)c2)cn1C ZINC000800811919 626375908 /nfs/dbraw/zinc/37/59/08/626375908.db2.gz NXBZOLFGJADRRI-UHFFFAOYSA-N 0 3 321.306 3.455 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552491 626409649 /nfs/dbraw/zinc/40/96/49/626409649.db2.gz CQQGUPYLZMUFJP-INIZCTEOSA-N 0 3 306.413 3.145 20 30 DGEDHN C[C@H](C#N)OCCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000801930573 626426125 /nfs/dbraw/zinc/42/61/25/626426125.db2.gz RSNJLQYMDOWELO-CYBMUJFWSA-N 0 3 313.376 3.325 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000801929850 626426156 /nfs/dbraw/zinc/42/61/56/626426156.db2.gz WFQIYHCKCJTAQW-ZIAGYGMSSA-N 0 3 315.442 3.404 20 30 DGEDHN CCc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000802045088 626429928 /nfs/dbraw/zinc/42/99/28/626429928.db2.gz FREJXYKGAJOQRK-KSZLIROESA-N 0 3 324.424 3.120 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000883391332 626670771 /nfs/dbraw/zinc/67/07/71/626670771.db2.gz IGEAHQCFJXVQAW-KBPBESRZSA-N 0 3 321.417 3.059 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1sccc1Br ZINC000883390420 626670829 /nfs/dbraw/zinc/67/08/29/626670829.db2.gz LPCNZBGJGMREEE-ZJUUUORDSA-N 0 3 304.253 3.488 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000883401390 626673794 /nfs/dbraw/zinc/67/37/94/626673794.db2.gz LMBAHCCHEYAEMI-CQSZACIVSA-N 0 3 316.357 3.272 20 30 DGEDHN C#C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804424715 626678266 /nfs/dbraw/zinc/67/82/66/626678266.db2.gz MVPOZELPQBOEBG-BFQNTYOBSA-N 0 3 322.811 3.142 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000807703767 626765326 /nfs/dbraw/zinc/76/53/26/626765326.db2.gz CVSZGCCHHNIZGK-KRWDZBQOSA-N 0 3 304.409 3.128 20 30 DGEDHN CCCCCCC[C@@H](C)CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884099751 626833816 /nfs/dbraw/zinc/83/38/16/626833816.db2.gz YEYNWWNAKCQLIV-FXQQTDPRSA-N 0 3 319.493 3.239 20 30 DGEDHN CC[C@@H](C)c1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884429700 626879530 /nfs/dbraw/zinc/87/95/30/626879530.db2.gz RLRIRONUOHKZGE-DOHUUOFWSA-N 0 3 311.429 3.278 20 30 DGEDHN C#Cc1ccc(CN(Cc2ccc(C(=O)NC)cc2)C2CC2)cc1 ZINC000809547845 626918580 /nfs/dbraw/zinc/91/85/80/626918580.db2.gz WDPVTMPPJLETEX-UHFFFAOYSA-N 0 3 318.420 3.192 20 30 DGEDHN C#Cc1ccc(CNCc2ccccc2Cn2cccn2)cc1 ZINC000809603653 626925304 /nfs/dbraw/zinc/92/53/04/626925304.db2.gz SPOIFSZXCZZMFZ-UHFFFAOYSA-N 0 3 301.393 3.203 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C)cc2N2CCOCC2)cc1 ZINC000809626622 626928708 /nfs/dbraw/zinc/92/87/08/626928708.db2.gz JTGHAVXSNNVHJS-UHFFFAOYSA-N 0 3 320.436 3.103 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3cc(C)ccn3)CC2)cc1 ZINC000809637405 626930317 /nfs/dbraw/zinc/93/03/17/626930317.db2.gz GRAQYPOYTUIYQD-UHFFFAOYSA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000809644335 626932025 /nfs/dbraw/zinc/93/20/25/626932025.db2.gz QJMVCKONOALMMR-UHFFFAOYSA-N 0 3 323.411 3.377 20 30 DGEDHN C#CCCOc1ccc(CNCc2cccc(C(=O)OC)c2)cc1 ZINC000809730632 626942484 /nfs/dbraw/zinc/94/24/84/626942484.db2.gz WJFGXUXTMSKZJQ-UHFFFAOYSA-N 0 3 323.392 3.165 20 30 DGEDHN C#C[C@H](NCc1c[nH]nc1-c1c(F)cccc1F)C(C)(C)C ZINC000809781598 626952657 /nfs/dbraw/zinc/95/26/57/626952657.db2.gz XAYLRHIVURMBMI-AWEZNQCLSA-N 0 3 303.356 3.492 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033321 626970718 /nfs/dbraw/zinc/97/07/18/626970718.db2.gz FTCVPXTZMTZABD-INIZCTEOSA-N 0 3 321.465 3.450 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCSC1 ZINC000810531242 627012493 /nfs/dbraw/zinc/01/24/93/627012493.db2.gz KUTUMRBTFWZBMY-QWRGUYRKSA-N 0 3 322.817 3.131 20 30 DGEDHN CCCCCCCCC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885861599 627055025 /nfs/dbraw/zinc/05/50/25/627055025.db2.gz YLNAWOGTXKRTNW-QGZVFWFLSA-N 0 3 310.482 3.107 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CC[C@@H](c3c(F)cccc3F)C2)CCC1 ZINC000886138549 627110822 /nfs/dbraw/zinc/11/08/22/627110822.db2.gz NBRPLZOVFKIEJM-ZIAGYGMSSA-N 0 3 320.383 3.199 20 30 DGEDHN CSc1ccc(CNCc2cnccc2N(C)C)cc1C#N ZINC000886277403 627129701 /nfs/dbraw/zinc/12/97/01/627129701.db2.gz PNBJFGWEMFUXSL-UHFFFAOYSA-N 0 3 312.442 3.031 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000886365866 627143741 /nfs/dbraw/zinc/14/37/41/627143741.db2.gz RKTLPPGOHCFDNA-LLVKDONJSA-N 0 3 319.202 3.436 20 30 DGEDHN C#CCC1(NCc2ccc(C)cc2Br)CCOCC1 ZINC000886379327 627144858 /nfs/dbraw/zinc/14/48/58/627144858.db2.gz XDVITOUBXAPSGE-UHFFFAOYSA-N 0 3 322.246 3.420 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CCN(C)CC1 ZINC000886575858 627166571 /nfs/dbraw/zinc/16/65/71/627166571.db2.gz NCYMBPKRVWKHQZ-NZSAHSFTSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C(=O)c1oc2ccccc2c1CC)C1CCN(C)CC1 ZINC000886575862 627166647 /nfs/dbraw/zinc/16/66/47/627166647.db2.gz NDRPPTKULOHMTK-UHFFFAOYSA-N 0 3 324.424 3.165 20 30 DGEDHN Cc1nc(C2CCN(Cc3cccc(C#N)c3F)CC2)[nH]c1C ZINC000886664184 627183451 /nfs/dbraw/zinc/18/34/51/627183451.db2.gz DZYCAKQEELLMFT-UHFFFAOYSA-N 0 3 312.392 3.417 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886664536 627183848 /nfs/dbraw/zinc/18/38/48/627183848.db2.gz PFYNKXLOCAKRMN-UHFFFAOYSA-N 0 3 324.428 3.286 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000886761818 627200907 /nfs/dbraw/zinc/20/09/07/627200907.db2.gz LSAMYSJVBKEKNT-UHFFFAOYSA-N 0 3 300.377 3.277 20 30 DGEDHN C=CCC1(O)CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000886778725 627203900 /nfs/dbraw/zinc/20/39/00/627203900.db2.gz QOXOLUVQHCFCGA-UHFFFAOYSA-N 0 3 315.335 3.488 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886832729 627210213 /nfs/dbraw/zinc/21/02/13/627210213.db2.gz MAWLRDNOZMKFSU-CZUORRHYSA-N 0 3 320.820 3.243 20 30 DGEDHN CSC1(C/N=C/c2cc(Cl)ccc2[O-])CC[NH+](C)CC1 ZINC000811625023 627296695 /nfs/dbraw/zinc/29/66/95/627296695.db2.gz ANXHULWDTWYUBR-LICLKQGHSA-N 0 3 312.866 3.292 20 30 DGEDHN COc1cccc(O)c1/C=N/[C@H]1CCN(Cc2ccccc2)C1 ZINC000812396400 627377840 /nfs/dbraw/zinc/37/78/40/627377840.db2.gz RVSRBXWVSMLQHI-DORSJAEJSA-N 0 3 310.397 3.094 20 30 DGEDHN CCN(Cc1ccccc1)c1ccc(C=NNC[C@H](C)O)cc1 ZINC000814960271 627613772 /nfs/dbraw/zinc/61/37/72/627613772.db2.gz PQMIGRSFHARNSE-INIZCTEOSA-N 0 3 311.429 3.017 20 30 DGEDHN CCN(Cc1ccccc1)c1ccc(C=NNC[C@@H](C)O)cc1 ZINC000814960272 627613805 /nfs/dbraw/zinc/61/38/05/627613805.db2.gz PQMIGRSFHARNSE-MRXNPFEDSA-N 0 3 311.429 3.017 20 30 DGEDHN C[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000815089846 627625010 /nfs/dbraw/zinc/62/50/10/627625010.db2.gz OCWYDEKHMWNRIU-BLLLJJGKSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000925458761 627738600 /nfs/dbraw/zinc/73/86/00/627738600.db2.gz WGISDCGJQHFERK-WFASDCNBSA-N 0 3 319.836 3.363 20 30 DGEDHN C=CCC(F)(F)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000816662693 627821295 /nfs/dbraw/zinc/82/12/95/627821295.db2.gz VXMRVKOQFYYFJL-UHFFFAOYSA-N 0 3 302.409 3.311 20 30 DGEDHN C=CCC(F)(F)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000816671682 627823372 /nfs/dbraw/zinc/82/33/72/627823372.db2.gz FNPICFJZVWWBEQ-UHFFFAOYSA-N 0 3 314.420 3.455 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000926239550 627868429 /nfs/dbraw/zinc/86/84/29/627868429.db2.gz JMYDNIOCRZQKNY-GDBMZVCRSA-N 0 3 305.466 3.228 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817281405 627877341 /nfs/dbraw/zinc/87/73/41/627877341.db2.gz KROAIMCIRVOYJQ-HIFRSBDPSA-N 0 3 312.335 3.256 20 30 DGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccnn1C ZINC000817714195 627938062 /nfs/dbraw/zinc/93/80/62/627938062.db2.gz MQAFKVYTKZGIMH-WDEREUQCSA-N 0 3 310.382 3.010 20 30 DGEDHN CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000926753173 627946922 /nfs/dbraw/zinc/94/69/22/627946922.db2.gz FRTSDRIGDMTTGF-PBHICJAKSA-N 0 3 301.434 3.036 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cnccc2N)c1 ZINC000817917941 627961344 /nfs/dbraw/zinc/96/13/44/627961344.db2.gz JKRRTZBRIXXYRN-DZGCQCFKSA-N 0 3 310.401 3.026 20 30 DGEDHN C[C@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000927156300 628028152 /nfs/dbraw/zinc/02/81/52/628028152.db2.gz KFAJWOUKUCBMNN-GZRFBZBPSA-N 0 3 324.399 3.441 20 30 DGEDHN C[C@H](NCCNc1ccc(C#N)cn1)c1csc(Cl)c1 ZINC000927163930 628029742 /nfs/dbraw/zinc/02/97/42/628029742.db2.gz MECFLYVDZDLGAL-JTQLQIEISA-N 0 3 306.822 3.431 20 30 DGEDHN CC[C@@H](NCCNc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000927164443 628030665 /nfs/dbraw/zinc/03/06/65/628030665.db2.gz JYMNMYHPSBKKMS-MRXNPFEDSA-N 0 3 316.355 3.384 20 30 DGEDHN OC1(CNCC#Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000818946063 628064557 /nfs/dbraw/zinc/06/45/57/628064557.db2.gz DPWPAIBHTUMVER-UHFFFAOYSA-N 0 3 311.347 3.342 20 30 DGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000928400452 628148234 /nfs/dbraw/zinc/14/82/34/628148234.db2.gz CAYKWUVEXHBDQA-SFHVURJKSA-N 0 3 317.408 3.294 20 30 DGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C(F)=C1CCC1 ZINC000819946138 628202623 /nfs/dbraw/zinc/20/26/23/628202623.db2.gz YUFFPOGDEFCJQZ-GFCCVEGCSA-N 0 3 316.332 3.140 20 30 DGEDHN CCOc1ccc(CCC2CCN(C[C@H](O)CC#N)CC2)cc1 ZINC000929156904 628217968 /nfs/dbraw/zinc/21/79/68/628217968.db2.gz SFMXNMVKFPNCNW-GOSISDBHSA-N 0 3 316.445 3.004 20 30 DGEDHN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000820766566 628296110 /nfs/dbraw/zinc/29/61/10/628296110.db2.gz MYBUPJQFVIFIJL-DJIMGWMZSA-N 0 3 312.413 3.180 20 30 DGEDHN C=C(C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882884 628606925 /nfs/dbraw/zinc/60/69/25/628606925.db2.gz FHDSKNHPGMVMLP-AWEZNQCLSA-N 0 3 305.385 3.231 20 30 DGEDHN C=C(C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882884 628606927 /nfs/dbraw/zinc/60/69/27/628606927.db2.gz FHDSKNHPGMVMLP-AWEZNQCLSA-N 0 3 305.385 3.231 20 30 DGEDHN N#CCC1(CNCc2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 ZINC000824327076 628651411 /nfs/dbraw/zinc/65/14/11/628651411.db2.gz SXNXBHKSIVOMAV-UHFFFAOYSA-N 0 3 323.396 3.155 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 ZINC000825118961 628729998 /nfs/dbraw/zinc/72/99/98/628729998.db2.gz ZRLCDSGGKMDKGT-QYZOEREBSA-N 0 3 323.440 3.151 20 30 DGEDHN C#CCCOc1ccc(CN2CC(COC)(C3CCC3)C2)cc1 ZINC000827012476 628912682 /nfs/dbraw/zinc/91/26/82/628912682.db2.gz XWEKKXOUUZNPNS-UHFFFAOYSA-N 0 3 313.441 3.337 20 30 DGEDHN C=CCC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOCC1 ZINC000827146873 628928127 /nfs/dbraw/zinc/92/81/27/628928127.db2.gz KLCAKXRYAGTFLN-UHFFFAOYSA-N 0 3 311.809 3.269 20 30 DGEDHN C#C[C@@H](NCc1ccccc1OCCCC)C1CCOCC1 ZINC000827559473 628970849 /nfs/dbraw/zinc/97/08/49/628970849.db2.gz FYRPVZKNDGKRCV-GOSISDBHSA-N 0 3 301.430 3.384 20 30 DGEDHN C#C[C@H](NCc1cnc(-c2cccs2)s1)C1CCOCC1 ZINC000827565860 628971237 /nfs/dbraw/zinc/97/12/37/628971237.db2.gz PNJPWBVRRNENTF-AWEZNQCLSA-N 0 3 318.467 3.390 20 30 DGEDHN C#C[C@H](NCc1c(C)nn(-c2ccccc2)c1C)C1CCOCC1 ZINC000827570038 628972126 /nfs/dbraw/zinc/97/21/26/628972126.db2.gz IBFAMCLIGPFTCN-FQEVSTJZSA-N 0 3 323.440 3.007 20 30 DGEDHN C#Cc1ccc(CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000827942775 629006189 /nfs/dbraw/zinc/00/61/89/629006189.db2.gz RPKDNOSLQYEBRX-IBGZPJMESA-N 0 3 306.409 3.056 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000829773119 629190117 /nfs/dbraw/zinc/19/01/17/629190117.db2.gz AXTCAFXXBLWDPV-QAPCUYQASA-N 0 3 314.429 3.148 20 30 DGEDHN C#CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000830316067 629252114 /nfs/dbraw/zinc/25/21/14/629252114.db2.gz CVXZPTKGSXTGFY-ZIAGYGMSSA-N 0 3 318.848 3.251 20 30 DGEDHN C#CCNC(=O)CCN1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000831986791 629433454 /nfs/dbraw/zinc/43/34/54/629433454.db2.gz RJEPZBPQCPXAMS-MRXNPFEDSA-N 0 3 304.821 3.007 20 30 DGEDHN C#Cc1cccc(CN[C@H](C)c2sc(CCOC)nc2C)c1 ZINC000834903321 629803810 /nfs/dbraw/zinc/80/38/10/629803810.db2.gz OGGFJZHXPXJOOD-CYBMUJFWSA-N 0 3 314.454 3.473 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC12CCSCC2)c1nc2ccccc2[nH]1 ZINC000835034372 629830511 /nfs/dbraw/zinc/83/05/11/629830511.db2.gz AJHRGTGPUGXNOT-NEPJUHHUSA-N 0 3 311.410 3.272 20 30 DGEDHN C#Cc1cccc(CNC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000837106935 630214413 /nfs/dbraw/zinc/21/44/13/630214413.db2.gz VKOLQRTWUIQFCK-UHFFFAOYSA-N 0 3 318.420 3.194 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)C#CC(C)(C)C)N(C)C)cc1 ZINC000837316136 630239044 /nfs/dbraw/zinc/23/90/44/630239044.db2.gz FJARAEMDVRFRTD-KRWDZBQOSA-N 0 3 300.446 3.017 20 30 DGEDHN C[C@]1(C(=O)C(C#N)C(=O)NC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000842288751 630511373 /nfs/dbraw/zinc/51/13/73/630511373.db2.gz LEQVAYOQCLHNFC-HLIPFELVSA-N 0 3 324.424 3.338 20 30 DGEDHN C=CCc1cc(C[NH2+]Cc2ccccc2[O-])cc(OC)c1OC ZINC000105478092 630713057 /nfs/dbraw/zinc/71/30/57/630713057.db2.gz NJPIDUIZSVDPJG-UHFFFAOYSA-N 0 3 313.397 3.428 20 30 DGEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000844367423 630721774 /nfs/dbraw/zinc/72/17/74/630721774.db2.gz BAVZPDWCHNGMSG-ROUUACIJSA-N 0 3 314.429 3.015 20 30 DGEDHN C=C[C@H](C)ONC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000845634005 631184544 /nfs/dbraw/zinc/18/45/44/631184544.db2.gz RFWRZDQKQNFSDH-DOTOQJQBSA-N 0 3 317.433 3.019 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(CNCC2(C#N)CCCC2)CC1 ZINC000846010707 631205806 /nfs/dbraw/zinc/20/58/06/631205806.db2.gz NBYRBILNJJKIAA-UHFFFAOYSA-N 0 3 321.465 3.307 20 30 DGEDHN C#CCOc1ccccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846151559 631212277 /nfs/dbraw/zinc/21/22/77/631212277.db2.gz AUFBVUOINYLUFK-CQSZACIVSA-N 0 3 311.381 3.264 20 30 DGEDHN COc1ccccc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000846745823 631293348 /nfs/dbraw/zinc/29/33/48/631293348.db2.gz PNMHOTQMTNUWFD-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCCC#N ZINC000846794299 631308432 /nfs/dbraw/zinc/30/84/32/631308432.db2.gz YSHZBISULBLAIH-WMZOPIPTSA-N 0 3 311.429 3.213 20 30 DGEDHN C#CC[C@H](NC[C@H]1CN(c2ccccc2)CCO1)c1ccccc1 ZINC000846845191 631325859 /nfs/dbraw/zinc/32/58/59/631325859.db2.gz UYJGFYKRNQXUTE-SFTDATJTSA-N 0 3 320.436 3.246 20 30 DGEDHN C#C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000848276049 631637767 /nfs/dbraw/zinc/63/77/67/631637767.db2.gz WYVRDNFMBYRLQP-QGZVFWFLSA-N 0 3 310.441 3.158 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848351535 631648458 /nfs/dbraw/zinc/64/84/58/631648458.db2.gz FINYBBONVMILGD-ULQDDVLXSA-N 0 3 323.481 3.091 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000848399737 631654662 /nfs/dbraw/zinc/65/46/62/631654662.db2.gz TWHWDCKZMGRSCI-ZWKOTPCHSA-N 0 3 313.445 3.194 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000848400881 631654688 /nfs/dbraw/zinc/65/46/88/631654688.db2.gz PZRRDMFMFFHQHQ-JKSUJKDBSA-N 0 3 321.371 3.040 20 30 DGEDHN C=C(C)CN1CCC(Nc2nnc(Cc3ccccc3)o2)CC1 ZINC000849164942 631849669 /nfs/dbraw/zinc/84/96/69/631849669.db2.gz XSZVUXWTPTXOTM-UHFFFAOYSA-N 0 3 312.417 3.113 20 30 DGEDHN Cc1ccc(CC2CN(C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000849331651 631895377 /nfs/dbraw/zinc/89/53/77/631895377.db2.gz VQFSBRWZZGBLME-FQEVSTJZSA-N 0 3 306.409 3.075 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000850321247 632112968 /nfs/dbraw/zinc/11/29/68/632112968.db2.gz JWWKRLPWKMCAEW-FQEVSTJZSA-N 0 3 307.393 3.125 20 30 DGEDHN C=CCC[C@H](NCC[S@@](=O)CC(F)(F)F)c1ccco1 ZINC000850496454 632171798 /nfs/dbraw/zinc/17/17/98/632171798.db2.gz NSFNOKRSBUXZCJ-PRWKNARSSA-N 0 3 309.353 3.188 20 30 DGEDHN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000850528429 632181674 /nfs/dbraw/zinc/18/16/74/632181674.db2.gz LYPGZFJBRJKXGG-FASAQXTFSA-N 0 3 308.381 3.418 20 30 DGEDHN CCOC(=O)NC1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000850551213 632190019 /nfs/dbraw/zinc/19/00/19/632190019.db2.gz RZWZHYBYXXNCFG-UHFFFAOYSA-N 0 3 307.438 3.107 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1cccnc1 ZINC000850738181 632209896 /nfs/dbraw/zinc/20/98/96/632209896.db2.gz GRASMOJLWHLPKE-OAHLLOKOSA-N 0 3 318.380 3.167 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC2(CC2(F)F)C1 ZINC000850738265 632209993 /nfs/dbraw/zinc/20/99/93/632209993.db2.gz JDEPKQOVGGBONU-CSJGVYOVSA-N 0 3 315.323 3.185 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCF ZINC000850759580 632216988 /nfs/dbraw/zinc/21/69/88/632216988.db2.gz KSPACSCFXFDDML-CQSZACIVSA-N 0 3 304.365 3.208 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850759923 632217882 /nfs/dbraw/zinc/21/78/82/632217882.db2.gz OZDDHAJEOJZTQT-HNNXBMFYSA-N 0 3 304.365 3.426 20 30 DGEDHN C#CCNC(=O)CN[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000008001406 632474293 /nfs/dbraw/zinc/47/42/93/632474293.db2.gz HMGHSTDNGVQOOJ-SFHVURJKSA-N 0 3 300.446 3.020 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000852100721 632554425 /nfs/dbraw/zinc/55/44/25/632554425.db2.gz ZTNQHGPVPAKNQA-ROUUACIJSA-N 0 3 304.409 3.031 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000852101948 632555514 /nfs/dbraw/zinc/55/55/14/632555514.db2.gz IQIZLYGBASPGEN-RDTXWAMCSA-N 0 3 304.409 3.127 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@H](O)c2ccc(Br)cc2)C1 ZINC000852320094 632586714 /nfs/dbraw/zinc/58/67/14/632586714.db2.gz VXYKNVOYENJJQF-WFASDCNBSA-N 0 3 323.234 3.108 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000852320093 632586830 /nfs/dbraw/zinc/58/68/30/632586830.db2.gz VXYKNVOYENJJQF-SWLSCSKDSA-N 0 3 323.234 3.108 20 30 DGEDHN C=CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@@H](C)COC ZINC000852356590 632594716 /nfs/dbraw/zinc/59/47/16/632594716.db2.gz IVHZPUJGUPHOPX-SWLSCSKDSA-N 0 3 317.351 3.262 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(-c3ccoc3)c2)[C@H](C)C1 ZINC000944047334 660208964 /nfs/dbraw/zinc/20/89/64/660208964.db2.gz PUXXLEITDSWXHU-DNVCBOLYSA-N 0 3 322.408 3.020 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)s2)[C@@H](C)C1 ZINC000944135767 660213006 /nfs/dbraw/zinc/21/30/06/660213006.db2.gz PDQIHFLNFYSQFJ-ZFWWWQNUSA-N 0 3 316.470 3.089 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2C2CC2)[C@H](C)C1 ZINC000944651207 660228554 /nfs/dbraw/zinc/22/85/54/660228554.db2.gz DZEGOFJXCLWGFT-IUODEOHRSA-N 0 3 304.459 3.252 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C2CCC2)[C@H](C)C1 ZINC000944492769 660224119 /nfs/dbraw/zinc/22/41/19/660224119.db2.gz RJTNPVILEMCFMN-DNVCBOLYSA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2C2CCC2)[C@@H](C)C1 ZINC000944492448 660224184 /nfs/dbraw/zinc/22/41/84/660224184.db2.gz PWZOOYVXFXVAJY-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN 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ZINC001033529792 660630517 /nfs/dbraw/zinc/63/05/17/660630517.db2.gz QRTGTNOAFYRSJZ-INIZCTEOSA-N 0 3 312.413 3.084 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1 ZINC001033630432 660641783 /nfs/dbraw/zinc/64/17/83/660641783.db2.gz YCAITZMYSQFVFC-DAWZGUTISA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033646942 660643993 /nfs/dbraw/zinc/64/39/93/660643993.db2.gz BSXVAUJEJMYIJU-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc3ccccc3c2)C1 ZINC001033642817 660645100 /nfs/dbraw/zinc/64/51/00/660645100.db2.gz PPYJTANXVJMJJF-FQEVSTJZSA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(CC)s2)C1 ZINC001033643707 660645169 /nfs/dbraw/zinc/64/51/69/660645169.db2.gz CNCRBTWDDWZPIZ-AWEZNQCLSA-N 0 3 306.475 3.341 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033643142 660645324 /nfs/dbraw/zinc/64/53/24/660645324.db2.gz XFAHFVAVRLIGSA-QGZVFWFLSA-N 0 3 300.446 3.334 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001033695760 660651114 /nfs/dbraw/zinc/65/11/14/660651114.db2.gz KJRHOPZFAOFVLV-FGTMMUONSA-N 0 3 316.420 3.038 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001033691649 660652033 /nfs/dbraw/zinc/65/20/33/660652033.db2.gz AGRVAIWJXGMBBX-UYAOXDASSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001005380095 660667342 /nfs/dbraw/zinc/66/73/42/660667342.db2.gz BZYABGOCGPPKAM-HIFRSBDPSA-N 0 3 302.418 3.125 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2coc3c2cccc3C)C1 ZINC001033855582 660671570 /nfs/dbraw/zinc/67/15/70/660671570.db2.gz LDLSQUJQTBMVJP-MRXNPFEDSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033957508 660683653 /nfs/dbraw/zinc/68/36/53/660683653.db2.gz KVQNQPIQNKCOAM-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(OCC)c2)C1 ZINC001033967847 660686818 /nfs/dbraw/zinc/68/68/18/660686818.db2.gz JCCDMLHEWMJQEQ-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033973762 660687392 /nfs/dbraw/zinc/68/73/92/660687392.db2.gz HVQIHUMMFMUHRN-GOSISDBHSA-N 0 3 311.429 3.052 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034039785 660698614 /nfs/dbraw/zinc/69/86/14/660698614.db2.gz PMSVZRRDGXJEDY-MRXNPFEDSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034048512 660702099 /nfs/dbraw/zinc/70/20/99/660702099.db2.gz ICIWYPJHJXUTQE-FOIPXRHGSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2oc3ccccc3c2C)C1 ZINC001034036502 660697715 /nfs/dbraw/zinc/69/77/15/660697715.db2.gz SAZMAWKRXFRWJT-INIZCTEOSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001034208734 660723737 /nfs/dbraw/zinc/72/37/37/660723737.db2.gz FFWZIQMBOWVKIG-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001034289703 660732635 /nfs/dbraw/zinc/73/26/35/660732635.db2.gz AWQNMKGIHLBDFR-MRXNPFEDSA-N 0 3 316.445 3.082 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034290424 660733206 /nfs/dbraw/zinc/73/32/06/660733206.db2.gz GFPCOAGTYPZNAW-KRWDZBQOSA-N 0 3 313.445 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001034327210 660737585 /nfs/dbraw/zinc/73/75/85/660737585.db2.gz XMAOSZIQBJAFKS-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001034381460 660745320 /nfs/dbraw/zinc/74/53/20/660745320.db2.gz MRPSXYWCKWGDKM-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001034407178 660746368 /nfs/dbraw/zinc/74/63/68/660746368.db2.gz RCXDXJYBWIYFNA-MRXNPFEDSA-N 0 3 313.445 3.038 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001034399802 660747629 /nfs/dbraw/zinc/74/76/29/660747629.db2.gz VDDHMVAOOSNINE-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001034403940 660748146 /nfs/dbraw/zinc/74/81/46/660748146.db2.gz FBARWSFRTGRQGL-INIZCTEOSA-N 0 3 315.461 3.284 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034424813 660748457 /nfs/dbraw/zinc/74/84/57/660748457.db2.gz QEIZAMGLNYMQRA-KRWDZBQOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001034427126 660748856 /nfs/dbraw/zinc/74/88/56/660748856.db2.gz ZZPODUZBRXMWSC-IRXDYDNUSA-N 0 3 304.409 3.244 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001034413589 660750289 /nfs/dbraw/zinc/75/02/89/660750289.db2.gz NNJCUISELLBFBT-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCCN1CCCC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001034431918 660753308 /nfs/dbraw/zinc/75/33/08/660753308.db2.gz AHGJMXPLTLAEGD-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034465513 660755653 /nfs/dbraw/zinc/75/56/53/660755653.db2.gz QETVOFBBAKSUQW-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001034478580 660757251 /nfs/dbraw/zinc/75/72/51/660757251.db2.gz MDJKGQLSXOXVIH-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001034495366 660759756 /nfs/dbraw/zinc/75/97/56/660759756.db2.gz UYOGHVHBEIAJGQ-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001034512079 660764755 /nfs/dbraw/zinc/76/47/55/660764755.db2.gz OCRNUQYFAXCWIC-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001034518445 660767763 /nfs/dbraw/zinc/76/77/63/660767763.db2.gz URQLDVFZBHGXID-HNNXBMFYSA-N 0 3 318.486 3.227 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001034535154 660769374 /nfs/dbraw/zinc/76/93/74/660769374.db2.gz CAQNSIYCBKYPNF-IRXDYDNUSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001034540532 660770378 /nfs/dbraw/zinc/77/03/78/660770378.db2.gz IIJBWYSABGDKTA-MSOLQXFVSA-N 0 3 317.477 3.213 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001034547280 660772871 /nfs/dbraw/zinc/77/28/71/660772871.db2.gz OMZQFLYFFAHXQX-KRWDZBQOSA-N 0 3 323.440 3.452 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC000947963700 660787935 /nfs/dbraw/zinc/78/79/35/660787935.db2.gz XNJNOJDBSIUEOY-QAPCUYQASA-N 0 3 312.457 3.200 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccccc1C(C)C)CC2 ZINC001035721513 660847344 /nfs/dbraw/zinc/84/73/44/660847344.db2.gz WBCMCCAWKDZBJA-UHFFFAOYSA-N 0 3 324.468 3.371 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(F)ccc1C)CC2 ZINC001035763641 660849454 /nfs/dbraw/zinc/84/94/54/660849454.db2.gz LEXNLBDJPCMDGB-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@@H]1C)CC2 ZINC001035786759 660851730 /nfs/dbraw/zinc/85/17/30/660851730.db2.gz DDTZFWUTSGHEEM-FUHWJXTLSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1csc(C)c1)CC2 ZINC001035819218 660853953 /nfs/dbraw/zinc/85/39/53/660853953.db2.gz IPVPUXZYKUAAQH-UHFFFAOYSA-N 0 3 304.459 3.171 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)CC1CCCC1)CC2 ZINC001035813897 660855337 /nfs/dbraw/zinc/85/53/37/660855337.db2.gz XXRFLWAXVZSMMF-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(F)cc1F)CC2 ZINC001035848164 660855702 /nfs/dbraw/zinc/85/57/02/660855702.db2.gz VPTBOPAPMHTRAC-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(F)CCCCC1)CC2 ZINC001035828574 660856470 /nfs/dbraw/zinc/85/64/70/660856470.db2.gz SJRIFTDAPZALME-UHFFFAOYSA-N 0 3 308.441 3.159 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)ccc1C)CC2 ZINC001035842291 660858154 /nfs/dbraw/zinc/85/81/54/660858154.db2.gz SSBDWINNVIVUGA-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccc(C#N)s1 ZINC001036497536 660912208 /nfs/dbraw/zinc/91/22/08/660912208.db2.gz XMTZLTSGHLZETC-CJNGLKHVSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2csc(C(C)(C)C)n2)CC1 ZINC001006144556 660965721 /nfs/dbraw/zinc/96/57/21/660965721.db2.gz GTXUYSKULADRAF-UHFFFAOYSA-N 0 3 321.490 3.163 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2[nH]ccc2-c2ccccc2)CC1 ZINC001006281251 660972405 /nfs/dbraw/zinc/97/24/05/660972405.db2.gz KIVLKKZHTVRTHG-UHFFFAOYSA-N 0 3 323.440 3.404 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC001006289213 660972886 /nfs/dbraw/zinc/97/28/86/660972886.db2.gz KCESGXSVOOEZBI-CQSZACIVSA-N 0 3 306.475 3.269 20 30 DGEDHN Cc1ccccc1[C@@H](C)N(CC(=O)NCCC#N)CC(C)C ZINC000792927644 660994667 /nfs/dbraw/zinc/99/46/67/660994667.db2.gz RHVVAXPZGPJPEW-MRXNPFEDSA-N 0 3 301.434 3.044 20 30 DGEDHN CC(C)(NCc1cnc2ccc(C#N)cn12)c1ccc(F)cc1 ZINC000793584787 661047974 /nfs/dbraw/zinc/04/79/74/661047974.db2.gz RRXXQUQBFKPTRG-UHFFFAOYSA-N 0 3 308.360 3.370 20 30 DGEDHN CC1(C)CCC(=NNC2=N[C@@H]3CCCC[C@H]3N2)c2ccccc21 ZINC000794857696 661109728 /nfs/dbraw/zinc/10/97/28/661109728.db2.gz LRZDCAZKYMRSIV-IAGOWNOFSA-N 0 3 310.445 3.322 20 30 DGEDHN CC(=NNCc1ccccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000794952061 661116399 /nfs/dbraw/zinc/11/63/99/661116399.db2.gz MFXRGHRATIAQDA-UHFFFAOYSA-N 0 3 310.445 3.332 20 30 DGEDHN CN(C)c1ccccc1CNN=C1CCCNc2ccccc21 ZINC000794956699 661116615 /nfs/dbraw/zinc/11/66/15/661116615.db2.gz JZNUAHPZKYLWBI-UHFFFAOYSA-N 0 3 308.429 3.452 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000969126794 655526257 /nfs/dbraw/zinc/52/62/57/655526257.db2.gz MSGMAZHZVVLSTC-LJQANCHMSA-N 0 3 312.457 3.301 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC000969133889 655526903 /nfs/dbraw/zinc/52/69/03/655526903.db2.gz UQGKKMZPDDIZCI-CYBMUJFWSA-N 0 3 324.877 3.399 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC000969162876 655529607 /nfs/dbraw/zinc/52/96/07/655529607.db2.gz ACKDVYNXDARACJ-KRWDZBQOSA-N 0 3 312.457 3.336 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000187319209 655544829 /nfs/dbraw/zinc/54/48/29/655544829.db2.gz HZLPQCUWUCHGJC-SFHVURJKSA-N 0 3 314.473 3.309 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001020540717 655546970 /nfs/dbraw/zinc/54/69/70/655546970.db2.gz JPPIEBUSPKLHQD-JOCQHMNTSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3sccc3Cl)C2)C1 ZINC001020562626 655553619 /nfs/dbraw/zinc/55/36/19/655553619.db2.gz HQYDEEWGRGTUMD-HAQNSBGRSA-N 0 3 324.877 3.495 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3cc(C)ccc3F)C2)C1 ZINC001020562818 655553627 /nfs/dbraw/zinc/55/36/27/655553627.db2.gz QVGSRDZKQXDJMR-WKILWMFISA-N 0 3 316.420 3.227 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000969829974 655558987 /nfs/dbraw/zinc/55/89/87/655558987.db2.gz ASSHSVOPVSWNOM-RDTXWAMCSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000969830744 655559039 /nfs/dbraw/zinc/55/90/39/655559039.db2.gz SUPXTHUQGVBZEC-AEFFLSMTSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000969845028 655559881 /nfs/dbraw/zinc/55/98/81/655559881.db2.gz JCLKWAVJTKTYHI-ZXZQKFIBSA-N 0 3 316.489 3.071 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001020638618 655563556 /nfs/dbraw/zinc/56/35/56/655563556.db2.gz WLBULZQAYOCNBT-JOCQHMNTSA-N 0 3 324.852 3.488 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001039067036 655567383 /nfs/dbraw/zinc/56/73/83/655567383.db2.gz JCTIOQMWSYZOIN-XJKSGUPXSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000970075704 655572120 /nfs/dbraw/zinc/57/21/20/655572120.db2.gz CMZQUNKXUOAKJW-INIZCTEOSA-N 0 3 323.440 3.104 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001020736156 655573323 /nfs/dbraw/zinc/57/33/23/655573323.db2.gz VSCPEQLNWYEJBG-QAQDUYKDSA-N 0 3 316.832 3.249 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000969048987 655585929 /nfs/dbraw/zinc/58/59/29/655585929.db2.gz BTVGLNJXGPQPDJ-GOSISDBHSA-N 0 3 323.440 3.166 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001021010974 655586535 /nfs/dbraw/zinc/58/65/35/655586535.db2.gz DOVRNYKRTQWPBT-KYZUINATSA-N 0 3 305.230 3.004 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001021097592 655589784 /nfs/dbraw/zinc/58/97/84/655589784.db2.gz NJAVQHSSOVYFBW-HDJSIYSDSA-N 0 3 318.804 3.344 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000970623408 655609953 /nfs/dbraw/zinc/60/99/53/655609953.db2.gz QGXSALFZCYFKCH-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000970651004 655611002 /nfs/dbraw/zinc/61/10/02/655611002.db2.gz AXJZMAZZLUXDGJ-ULQDDVLXSA-N 0 3 306.494 3.461 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(C3CCC3)c2)C1 ZINC000970740531 655615601 /nfs/dbraw/zinc/61/56/01/655615601.db2.gz KAPMFBYXZAAPII-OAHLLOKOSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccsc2C(F)F)C1 ZINC000970809549 655623510 /nfs/dbraw/zinc/62/35/10/655623510.db2.gz CAXDMYSLQZRWOY-JTQLQIEISA-N 0 3 314.401 3.312 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2csc3c2CCCC3)C1 ZINC000970848677 655629519 /nfs/dbraw/zinc/62/95/19/655629519.db2.gz KZHIECFHWKCKJQ-CYBMUJFWSA-N 0 3 318.486 3.253 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC000970850935 655629637 /nfs/dbraw/zinc/62/96/37/655629637.db2.gz HKFICUKTBCXSKC-ZDUSSCGKSA-N 0 3 306.475 3.245 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(CCC)c(C)s2)C1 ZINC000970850542 655629700 /nfs/dbraw/zinc/62/97/00/655629700.db2.gz CPCOUIBDCAEUBD-CYBMUJFWSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2=CCCCCC2)C1 ZINC001021568530 655634085 /nfs/dbraw/zinc/63/40/85/655634085.db2.gz KCHMDYWVSYNSTA-OALUTQOASA-N 0 3 314.473 3.213 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C[C@H]1C ZINC000947417247 655637466 /nfs/dbraw/zinc/63/74/66/655637466.db2.gz NZMNYTVGTJKQNI-CHWSQXEVSA-N 0 3 308.372 3.042 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC000970924465 655638195 /nfs/dbraw/zinc/63/81/95/655638195.db2.gz LWYUAOYVLJTDFK-HNNXBMFYSA-N 0 3 324.424 3.123 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC000970996092 655648320 /nfs/dbraw/zinc/64/83/20/655648320.db2.gz HVDYUNXDZYSSFK-INIZCTEOSA-N 0 3 322.452 3.327 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC001021718652 655663080 /nfs/dbraw/zinc/66/30/80/655663080.db2.gz HJLOBTZIENDOST-QUCCMNQESA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C3CC3)cc2)C1 ZINC001021744668 655669454 /nfs/dbraw/zinc/66/94/54/655669454.db2.gz XCOKSWOCLCBTPH-WOJBJXKFSA-N 0 3 322.452 3.124 20 30 DGEDHN C=C(C)CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)s1 ZINC001039347100 655675975 /nfs/dbraw/zinc/67/59/75/655675975.db2.gz XCSMAJPALGRRRF-CABCVRRESA-N 0 3 319.474 3.097 20 30 DGEDHN CO[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000795808776 661173843 /nfs/dbraw/zinc/17/38/43/661173843.db2.gz BFCVIXCVYLHAOJ-CABCVRRESA-N 0 3 312.335 3.493 20 30 DGEDHN C#CCC1(NCC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CCC1 ZINC000933293061 655697320 /nfs/dbraw/zinc/69/73/20/655697320.db2.gz GTUXORVBPHAGMX-BETUJISGSA-N 0 3 301.352 3.460 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2coc3ccc(CC)cc32)C1 ZINC000971540114 655704347 /nfs/dbraw/zinc/70/43/47/655704347.db2.gz CTVORFJNCCWNJQ-HNNXBMFYSA-N 0 3 312.413 3.328 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC000971551194 655704516 /nfs/dbraw/zinc/70/45/16/655704516.db2.gz GIHHEGRKXJKQCQ-GFCCVEGCSA-N 0 3 312.335 3.096 20 30 DGEDHN C#Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)c(Cl)c1 ZINC000933365775 655705390 /nfs/dbraw/zinc/70/53/90/655705390.db2.gz IJBXPDGWYVVECS-UHFFFAOYSA-N 0 3 321.852 3.373 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001022071659 655707360 /nfs/dbraw/zinc/70/73/60/655707360.db2.gz XHJCCLRJJGBWGC-FOUMNBMASA-N 0 3 308.809 3.006 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001022245622 655722811 /nfs/dbraw/zinc/72/28/11/655722811.db2.gz FZEHHMKZHXGVRO-DTORHVGOSA-N 0 3 305.230 3.004 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000971820788 655731076 /nfs/dbraw/zinc/73/10/76/655731076.db2.gz HQPPOJRPQFPWHF-NKELODKYSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(C)c(F)ccc2Cl)C1 ZINC000971822630 655731437 /nfs/dbraw/zinc/73/14/37/655731437.db2.gz XTHBYNHIWPYWBQ-GFCCVEGCSA-N 0 3 310.800 3.120 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2scnc2C2CCCC2)C1 ZINC000971878912 655741297 /nfs/dbraw/zinc/74/12/97/655741297.db2.gz VPAKMDSDAADFKG-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(CCCC)cc2)C1 ZINC000971894940 655744327 /nfs/dbraw/zinc/74/43/27/655744327.db2.gz DMWAWRXTUSBPQC-GOSISDBHSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2coc3cc(C)c(C)cc32)C1 ZINC000972013228 655754301 /nfs/dbraw/zinc/75/43/01/655754301.db2.gz WHZSKKBKKYNYAJ-OAHLLOKOSA-N 0 3 312.413 3.382 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000972033538 655756401 /nfs/dbraw/zinc/75/64/01/655756401.db2.gz RYBKOYJFYFMUCQ-HNNXBMFYSA-N 0 3 311.429 3.117 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001022641700 655757872 /nfs/dbraw/zinc/75/78/72/655757872.db2.gz JPPIEBUSPKLHQD-BETUJISGSA-N 0 3 313.228 3.251 20 30 DGEDHN N#CC[C@@H](CC(=O)OCCN1CCCCC1)c1ccccc1 ZINC000795987214 661183465 /nfs/dbraw/zinc/18/34/65/661183465.db2.gz UMLFNOZRIKHYMZ-KRWDZBQOSA-N 0 3 300.402 3.103 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000972245071 655782140 /nfs/dbraw/zinc/78/21/40/655782140.db2.gz JLQBCZNTYLMSMJ-PKOBYXMFSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)Cc3csc(C)c3)C2)C1 ZINC000972283320 655785508 /nfs/dbraw/zinc/78/55/08/655785508.db2.gz MICJZNPYKGTWAY-MRXNPFEDSA-N 0 3 318.486 3.446 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC000972319714 655788555 /nfs/dbraw/zinc/78/85/55/655788555.db2.gz IZKPNIWOOGIPPW-OALUTQOASA-N 0 3 314.473 3.220 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001022831580 655792336 /nfs/dbraw/zinc/79/23/36/655792336.db2.gz XBWXJEGCZSGPNZ-XJFOESAGSA-N 0 3 324.877 3.149 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001022984895 655806818 /nfs/dbraw/zinc/80/68/18/655806818.db2.gz VFKBMLBDXWQQPV-CALCHBBNSA-N 0 3 316.832 3.249 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001023044161 655810511 /nfs/dbraw/zinc/81/05/11/655810511.db2.gz PLYKGMWUDVVNIZ-GASCZTMLSA-N 0 3 314.816 3.443 20 30 DGEDHN COc1ccc(O)c(/C=N\C[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000255569980 655815712 /nfs/dbraw/zinc/81/57/12/655815712.db2.gz IMTXOVZUWNYGPZ-PJMHOZITSA-N 0 3 324.424 3.267 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001023390089 655831187 /nfs/dbraw/zinc/83/11/87/655831187.db2.gz BVJATUUYWPNLBB-GFCCVEGCSA-N 0 3 312.866 3.338 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001023406779 655831673 /nfs/dbraw/zinc/83/16/73/655831673.db2.gz UQPFKPGAWJIBPZ-HNNXBMFYSA-N 0 3 324.399 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3sccc3s2)C1 ZINC001023444390 655834195 /nfs/dbraw/zinc/83/41/95/655834195.db2.gz KDVMBXQZDOUILA-GFCCVEGCSA-N 0 3 318.467 3.038 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@H]1C ZINC000947564548 655839630 /nfs/dbraw/zinc/83/96/30/655839630.db2.gz QWFORYKQVJQOTJ-NVXWUHKLSA-N 0 3 310.441 3.088 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@H]1C ZINC000947564552 655839828 /nfs/dbraw/zinc/83/98/28/655839828.db2.gz QWFORYKQVJQOTJ-WBVHZDCISA-N 0 3 310.441 3.088 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H]2CCCN(C[C@H](F)CC)C2)CC1 ZINC001023572615 655844118 /nfs/dbraw/zinc/84/41/18/655844118.db2.gz JAIKBZKEFQBLJQ-NVXWUHKLSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C[C@H]1C ZINC000947573027 655847141 /nfs/dbraw/zinc/84/71/41/655847141.db2.gz WZPDIUWFQXTXEM-WBVHZDCISA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001023613906 655848493 /nfs/dbraw/zinc/84/84/93/655848493.db2.gz PPCFNNLNVUDQAB-KZNAEPCWSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001023764367 655863037 /nfs/dbraw/zinc/86/30/37/655863037.db2.gz CKCMQDJNKHKZIY-HNNXBMFYSA-N 0 3 324.424 3.070 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC000972681446 655865133 /nfs/dbraw/zinc/86/51/33/655865133.db2.gz ZHFLGIALEQIMFU-WBVHZDCISA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000972786174 655882149 /nfs/dbraw/zinc/88/21/49/655882149.db2.gz LZKOVFJDUQFWKL-GFCCVEGCSA-N 0 3 312.335 3.038 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001024469509 655908575 /nfs/dbraw/zinc/90/85/75/655908575.db2.gz RYEFWSVRGJOLRF-CQSZACIVSA-N 0 3 323.387 3.180 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480250 655909835 /nfs/dbraw/zinc/90/98/35/655909835.db2.gz DSMHYTMZHPQWHR-AWEZNQCLSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001024578197 655919755 /nfs/dbraw/zinc/91/97/55/655919755.db2.gz NQBUWCKZZIPTBH-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024615389 655924287 /nfs/dbraw/zinc/92/42/87/655924287.db2.gz RQXNXXMUUJXIHU-OAHLLOKOSA-N 0 3 303.450 3.128 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001024620329 655924939 /nfs/dbraw/zinc/92/49/39/655924939.db2.gz QQFJJOUOIFOODM-QGZVFWFLSA-N 0 3 300.446 3.409 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001024673564 655928629 /nfs/dbraw/zinc/92/86/29/655928629.db2.gz MRTHQMNNGUFBSP-KZNAEPCWSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001024672054 655928641 /nfs/dbraw/zinc/92/86/41/655928641.db2.gz QLDKKJKWAPIEBN-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001024671734 655928916 /nfs/dbraw/zinc/92/89/16/655928916.db2.gz JYGIBFNKZUVLJI-HNNXBMFYSA-N 0 3 311.429 3.328 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001024689407 655930400 /nfs/dbraw/zinc/93/04/00/655930400.db2.gz FPUKFLRHGYAOLS-LBPRGKRZSA-N 0 3 310.850 3.009 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001024736484 655933920 /nfs/dbraw/zinc/93/39/20/655933920.db2.gz AYFAWPBRAXQHHI-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001024817921 655942658 /nfs/dbraw/zinc/94/26/58/655942658.db2.gz IFXAVBWIPZFRBW-HNNXBMFYSA-N 0 3 311.429 3.247 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CC(c2ccccc2)C1 ZINC001024822257 655943470 /nfs/dbraw/zinc/94/34/70/655943470.db2.gz ZZPDXUHOPUDFHB-MHJFOBGBSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cncc3sccc32)C[C@H]1C ZINC000947649609 655948480 /nfs/dbraw/zinc/94/84/80/655948480.db2.gz SRTAVLXFSNUMJZ-CHWSQXEVSA-N 0 3 315.442 3.065 20 30 DGEDHN C#CCCCN[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000178052878 655953664 /nfs/dbraw/zinc/95/36/64/655953664.db2.gz FADMIHLEBMMEBS-GFCCVEGCSA-N 0 3 302.809 3.293 20 30 DGEDHN C#C[C@@H](CC)NCc1ccc(Br)c2cccnc12 ZINC000229895459 655961899 /nfs/dbraw/zinc/96/18/99/655961899.db2.gz KVVRSIAYPYRFID-LBPRGKRZSA-N 0 3 303.203 3.499 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001025193893 655975815 /nfs/dbraw/zinc/97/58/15/655975815.db2.gz YPLDJLODBWQWSI-RTBURBONSA-N 0 3 310.441 3.169 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccs1 ZINC001025194438 655975983 /nfs/dbraw/zinc/97/59/83/655975983.db2.gz CZBKUVBBDPNSOO-HUUCEWRRSA-N 0 3 304.459 3.393 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025194553 655976094 /nfs/dbraw/zinc/97/60/94/655976094.db2.gz DXDPIFUKLGHGQK-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1scnc1C ZINC001025198798 655976230 /nfs/dbraw/zinc/97/62/30/655976230.db2.gz RGJZXPFCDZOPIR-LSDHHAIUSA-N 0 3 319.474 3.097 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199301 655976362 /nfs/dbraw/zinc/97/63/62/655976362.db2.gz VJWOCCAUZBIJER-IRXDYDNUSA-N 0 3 302.418 3.233 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025196306 655976688 /nfs/dbraw/zinc/97/66/88/655976688.db2.gz SPBVXLOTQPPLGN-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196409 655976975 /nfs/dbraw/zinc/97/69/75/655976975.db2.gz UNXUGSBHAZTPLK-RTBURBONSA-N 0 3 310.441 3.087 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001007479848 655977891 /nfs/dbraw/zinc/97/78/91/655977891.db2.gz AREQOCSOJGFKGZ-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025217930 655980159 /nfs/dbraw/zinc/98/01/59/655980159.db2.gz HAXISNODKMOQAY-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001025228684 655981937 /nfs/dbraw/zinc/98/19/37/655981937.db2.gz CDVYUJGJWZNFHR-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccoc1CC ZINC001025228679 655982039 /nfs/dbraw/zinc/98/20/39/655982039.db2.gz 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LBOAJIHMSMJTJV-KKUMJFAQSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cscc1C(F)F ZINC001027887512 656462162 /nfs/dbraw/zinc/46/21/62/656462162.db2.gz QSDHIBQAQNSQDR-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1F ZINC001039378388 656490257 /nfs/dbraw/zinc/49/02/57/656490257.db2.gz QVLDZRUXEUCNIS-CVEARBPZSA-N 0 3 316.420 3.389 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001027918134 656491416 /nfs/dbraw/zinc/49/14/16/656491416.db2.gz KKVIKERHQRUWQJ-IBGZPJMESA-N 0 3 310.441 3.172 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccccc12 ZINC001039400551 656493913 /nfs/dbraw/zinc/49/39/13/656493913.db2.gz HQQGODGUMOXYKN-CVEARBPZSA-N 0 3 323.440 3.423 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001039409384 656495034 /nfs/dbraw/zinc/49/50/34/656495034.db2.gz NVOOGYGWPMTHPI-ZRSRNVLSSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)C1 ZINC000980386322 656497713 /nfs/dbraw/zinc/49/77/13/656497713.db2.gz ITPMTWWJFJSNKO-LBPRGKRZSA-N 0 3 312.866 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccs1 ZINC001039434743 656501655 /nfs/dbraw/zinc/50/16/55/656501655.db2.gz LSPMEGJKKNASLS-OAGGEKHMSA-N 0 3 318.486 3.493 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1Cl ZINC001039466159 656508735 /nfs/dbraw/zinc/50/87/35/656508735.db2.gz VILNEGJRMWUGOG-CVEARBPZSA-N 0 3 318.848 3.134 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001027943072 656516830 /nfs/dbraw/zinc/51/68/30/656516830.db2.gz JYXPBIBQHLDPDT-BZSNNMDCSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1nc(C(C)(C)C)cs1 ZINC001027947838 656521809 /nfs/dbraw/zinc/52/18/09/656521809.db2.gz SQQJZHSLAPOJJC-ZDUSSCGKSA-N 0 3 321.490 3.211 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C[C@H](C)CC)C1 ZINC001039906328 656541532 /nfs/dbraw/zinc/54/15/32/656541532.db2.gz KVVDIGNAZIOGPL-OIISXLGYSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001027962104 656546064 /nfs/dbraw/zinc/54/60/64/656546064.db2.gz LBCAWHMMKOMSIB-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(CCCC)cc3)C[C@@H]2C1 ZINC001048926584 656546739 /nfs/dbraw/zinc/54/67/39/656546739.db2.gz KIDQQUHWJIEBOW-BGYRXZFFSA-N 0 3 324.468 3.056 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3CCCCCC3)C2)C1 ZINC001040105519 656562095 /nfs/dbraw/zinc/56/20/95/656562095.db2.gz RMIYHUAPEBRMDM-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN N#CC(C(=O)CCc1cc(Cl)cs1)C(=O)NC1CCCC1 ZINC000077866206 656564770 /nfs/dbraw/zinc/56/47/70/656564770.db2.gz WEAQXYQTDSUUFO-CYBMUJFWSA-N 0 3 324.833 3.102 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)c(C)o3)C2)C1 ZINC001040159916 656566544 /nfs/dbraw/zinc/56/65/44/656566544.db2.gz LJYJETKGCWXGHM-GOSISDBHSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001040321981 656576670 /nfs/dbraw/zinc/57/66/70/656576670.db2.gz FNVGWSUGAAFIKL-CRAIPNDOSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ccc(CCC)cc3)C2)C1 ZINC001040361953 656581194 /nfs/dbraw/zinc/58/11/94/656581194.db2.gz YPBLDJXNVMJLHH-NRFANRHFSA-N 0 3 324.468 3.200 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001027999733 656582326 /nfs/dbraw/zinc/58/23/26/656582326.db2.gz OMUSTVIYWDPSBX-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(CC#CC)C3)cc1 ZINC001040407612 656586511 /nfs/dbraw/zinc/58/65/11/656586511.db2.gz KNMMLKHKNLQGFG-OAQYLSRUSA-N 0 3 322.452 3.281 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3cccc(C(C)C)c3)C2)C1 ZINC001040477980 656590031 /nfs/dbraw/zinc/59/00/31/656590031.db2.gz DAKDMBNJNTXIKZ-NRFANRHFSA-N 0 3 324.468 3.371 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001028006530 656591728 /nfs/dbraw/zinc/59/17/28/656591728.db2.gz QFQHHWRQVUBBIL-IBGZPJMESA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cc(C)c(C)s3)C2)C1 ZINC001040522197 656594268 /nfs/dbraw/zinc/59/42/68/656594268.db2.gz KKBLGZWNWPFUGB-SFHVURJKSA-N 0 3 318.486 3.479 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001040539909 656595128 /nfs/dbraw/zinc/59/51/28/656595128.db2.gz SSUPAAKCMUGGAT-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CC(C)(C)C3CC3)C2)CC1 ZINC001040692914 656602680 /nfs/dbraw/zinc/60/26/80/656602680.db2.gz PGJCDCDGERERSA-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001028015771 656603156 /nfs/dbraw/zinc/60/31/56/656603156.db2.gz JMSVQYIESPBEJD-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3CCC=CCCC3)C2)CC1 ZINC001040745874 656605111 /nfs/dbraw/zinc/60/51/11/656605111.db2.gz SCZLLICRAQKHMC-SFHVURJKSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC=CCCC3)C2)CC1 ZINC001040745872 656605412 /nfs/dbraw/zinc/60/54/12/656605412.db2.gz SCZLLICRAQKHMC-GOSISDBHSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H]3CCCC3(C)C)C2)CC1 ZINC001040811384 656608141 /nfs/dbraw/zinc/60/81/41/656608141.db2.gz HWFHWNHRBNUUGP-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC000980983609 656609583 /nfs/dbraw/zinc/60/95/83/656609583.db2.gz NHRFKPJRKXTUTE-MOPGFXCFSA-N 0 3 323.440 3.041 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC001040926579 656615476 /nfs/dbraw/zinc/61/54/76/656615476.db2.gz LPMIBLRZJDBRKV-UHFFFAOYSA-N 0 3 324.468 3.255 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C3(CC)CCCCC3)C2)CC1 ZINC001040945032 656616144 /nfs/dbraw/zinc/61/61/44/656616144.db2.gz MBPSDRSWMCTLNN-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1F ZINC001049446088 656621994 /nfs/dbraw/zinc/62/19/94/656621994.db2.gz GUTDRVWQVZVHJX-UONOGXRCSA-N 0 3 308.422 3.142 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(F)c(C)cc1F ZINC001049537410 656637175 /nfs/dbraw/zinc/63/71/75/656637175.db2.gz OBNCRXQGZDMDLE-SJORKVTESA-N 0 3 320.383 3.138 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC=CCCC1 ZINC001049546205 656638491 /nfs/dbraw/zinc/63/84/91/656638491.db2.gz PMFCOZVSUGAMSS-KZNAEPCWSA-N 0 3 302.462 3.374 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC)o1 ZINC001049555555 656639405 /nfs/dbraw/zinc/63/94/05/656639405.db2.gz NSPSLEZEWFLSCX-CVEARBPZSA-N 0 3 302.418 3.097 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC)s1 ZINC001049580989 656644320 /nfs/dbraw/zinc/64/43/20/656644320.db2.gz XBHXSYIOPDUECA-JKSUJKDBSA-N 0 3 316.470 3.013 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC2(CC2)CC1 ZINC001049600146 656647476 /nfs/dbraw/zinc/64/74/76/656647476.db2.gz XSCJULWVNWBROS-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049618417 656649825 /nfs/dbraw/zinc/64/98/25/656649825.db2.gz OSUZIXBKPXMDRW-SJORKVTESA-N 0 3 314.429 3.023 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCC1(F)F ZINC001049618120 656649979 /nfs/dbraw/zinc/64/99/79/656649979.db2.gz NMAUZQNVYFJXRR-SOUVJXGZSA-N 0 3 312.404 3.063 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc(C)ccc3C3CC3)C2)C1 ZINC001041504681 656650010 /nfs/dbraw/zinc/65/00/10/656650010.db2.gz ARLAQZUAAXAVIZ-NRFANRHFSA-N 0 3 322.452 3.044 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049618414 656650075 /nfs/dbraw/zinc/65/00/75/656650075.db2.gz OSUZIXBKPXMDRW-DLBZAZTESA-N 0 3 314.429 3.023 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1cccs1 ZINC001049632719 656652682 /nfs/dbraw/zinc/65/26/82/656652682.db2.gz ARWVROQWMAJQIQ-HUUCEWRRSA-N 0 3 318.486 3.277 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001049633957 656652711 /nfs/dbraw/zinc/65/27/11/656652711.db2.gz OFLJUDQFLXRUDX-RBUKOAKNSA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001049633958 656652791 /nfs/dbraw/zinc/65/27/91/656652791.db2.gz OFLJUDQFLXRUDX-RTBURBONSA-N 0 3 323.440 3.341 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C(C)C ZINC001049662578 656659712 /nfs/dbraw/zinc/65/97/12/656659712.db2.gz HUVSIPNRGWFZGO-IAGOWNOFSA-N 0 3 314.429 3.105 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000981252564 656662404 /nfs/dbraw/zinc/66/24/04/656662404.db2.gz DBHBOEZQMKFCID-UHFFFAOYSA-N 0 3 306.475 3.425 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2ccccc2n1C ZINC001049676314 656662588 /nfs/dbraw/zinc/66/25/88/656662588.db2.gz NVVCPEDUDQHAJN-ROUUACIJSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2ccccc2n1C ZINC001049676315 656662731 /nfs/dbraw/zinc/66/27/31/656662731.db2.gz NVVCPEDUDQHAJN-ZWKOTPCHSA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CC)CC3CCCC3)C2)C1 ZINC001041720310 656670495 /nfs/dbraw/zinc/67/04/95/656670495.db2.gz MYVQFDDMGXSCQX-AZUAARDMSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc4sccc4c3)C2)C1 ZINC001041770163 656673129 /nfs/dbraw/zinc/67/31/29/656673129.db2.gz ZBUHQHYYRRNWRT-LJQANCHMSA-N 0 3 324.449 3.073 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCCCCC1 ZINC001049750969 656678808 /nfs/dbraw/zinc/67/88/08/656678808.db2.gz ATKJTIXCOFJDKL-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1ccccc1C ZINC001049750686 656679510 /nfs/dbraw/zinc/67/95/10/656679510.db2.gz ZTKCBIUCVWHHHS-WOJBJXKFSA-N 0 3 324.468 3.016 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2cc[nH]c2c1 ZINC001049755732 656679772 /nfs/dbraw/zinc/67/97/72/656679772.db2.gz SDHMNIOGMRSUIH-ZWKOTPCHSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2cc[nH]c2c1 ZINC001049755730 656679919 /nfs/dbraw/zinc/67/99/19/656679919.db2.gz SDHMNIOGMRSUIH-QZTJIDSGSA-N 0 3 309.413 3.033 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOc2cccnc2)c([O-])c1 ZINC000074374364 661286231 /nfs/dbraw/zinc/28/62/31/661286231.db2.gz MNPWANIMQIXJKU-DEDYPNTBSA-N 0 3 313.401 3.131 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3c(C)cc(C)cc3C)C2)C1 ZINC001041817280 656680560 /nfs/dbraw/zinc/68/05/60/656680560.db2.gz 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656692700 /nfs/dbraw/zinc/69/27/00/656692700.db2.gz IIJRFINLEWUUHP-MOPGFXCFSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2ccncc2c1 ZINC001049827512 656693074 /nfs/dbraw/zinc/69/30/74/656693074.db2.gz VTJQJDZAHKXNEY-RBUKOAKNSA-N 0 3 321.424 3.100 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001049854281 656699682 /nfs/dbraw/zinc/69/96/82/656699682.db2.gz LWTVOKYWCGMXTI-CADBVGFASA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)cc1 ZINC001049853944 656699696 /nfs/dbraw/zinc/69/96/96/656699696.db2.gz IQOWGLVWVTWIBI-CVEARBPZSA-N 0 3 304.821 3.205 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(F)cccc1Cl ZINC001049861768 656703452 /nfs/dbraw/zinc/70/34/52/656703452.db2.gz FQDUGHKQMQZNGD-GJZGRUSLSA-N 0 3 322.811 3.344 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000981475119 656704418 /nfs/dbraw/zinc/70/44/18/656704418.db2.gz HLLSIFGGQCVMDV-IAGOWNOFSA-N 0 3 313.445 3.121 20 30 DGEDHN 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C=C(C)CN1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001028105161 656732092 /nfs/dbraw/zinc/73/20/92/656732092.db2.gz OYKMKIQIHOOJMW-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]21 ZINC001042206728 656736896 /nfs/dbraw/zinc/73/68/96/656736896.db2.gz NCFDXJRKGIGTHV-WBMJQRKESA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@H]21 ZINC001042207731 656737274 /nfs/dbraw/zinc/73/72/74/656737274.db2.gz SPWCNZMXMAOKCB-IEBWSBKVSA-N 0 3 312.457 3.362 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C3CCC3)C[C@@H]21 ZINC001042234319 656742559 /nfs/dbraw/zinc/74/25/59/656742559.db2.gz LGSRMKFKGZWTST-PBHICJAKSA-N 0 3 313.445 3.005 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)Cc3ccc(Cl)s3)C[C@@H]21 ZINC001042258839 656746529 /nfs/dbraw/zinc/74/65/29/656746529.db2.gz QCVDPQDGTUXMFD-JSGCOSHPSA-N 0 3 324.877 3.053 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(C[C@H](F)CC)CC2)CC1 ZINC001052682706 656748421 /nfs/dbraw/zinc/74/84/21/656748421.db2.gz 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CC#CCN1CCC[C@@H](NC(=O)c2cc(CC)c(C)s2)CC1 ZINC001052923297 656791873 /nfs/dbraw/zinc/79/18/73/656791873.db2.gz ZQLHZNNHXQMLET-MRXNPFEDSA-N 0 3 318.486 3.227 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2c(CC)oc3ccccc32)CC1 ZINC001052960276 656797791 /nfs/dbraw/zinc/79/77/91/656797791.db2.gz ONKMKHXSWHMOQF-HNNXBMFYSA-N 0 3 324.424 3.213 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCCc3ccccc32)CC1 ZINC001052960742 656797994 /nfs/dbraw/zinc/79/79/94/656797994.db2.gz ZOJWKGFVULZINB-UYAOXDASSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2c(CC)oc3ccccc32)CC1 ZINC001052960277 656798209 /nfs/dbraw/zinc/79/82/09/656798209.db2.gz ONKMKHXSWHMOQF-OAHLLOKOSA-N 0 3 324.424 3.213 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001052963040 656799143 /nfs/dbraw/zinc/79/91/43/656799143.db2.gz RMYTWEHGLJDDQP-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cc3c(cccc3C)o2)CC1 ZINC001052963943 656799175 /nfs/dbraw/zinc/79/91/75/656799175.db2.gz CCBNJGWTGSLUCV-INIZCTEOSA-N 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C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3c(C)cccc3C)C2)C1 ZINC001015673935 658163876 /nfs/dbraw/zinc/16/38/76/658163876.db2.gz RJZUIUNGAOBPLO-KRWDZBQOSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cccc(CC)c3)C2)C1 ZINC001015673942 658164005 /nfs/dbraw/zinc/16/40/05/658164005.db2.gz RRMGKOJRVCABJE-SFHVURJKSA-N 0 3 312.457 3.296 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3C)C2)C1 ZINC001015676959 658165846 /nfs/dbraw/zinc/16/58/46/658165846.db2.gz QSNNWGMAZPCEHB-SFHVURJKSA-N 0 3 312.457 3.350 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001017023921 658220119 /nfs/dbraw/zinc/22/01/19/658220119.db2.gz RADJXGCMYSFILZ-AWEZNQCLSA-N 0 3 319.474 3.090 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1sccc1C)C2 ZINC000963496510 658221501 /nfs/dbraw/zinc/22/15/01/658221501.db2.gz RTPXLQKLNNPXPO-UHFFFAOYSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001016068679 658229959 /nfs/dbraw/zinc/22/99/59/658229959.db2.gz MKWIKIASMCLFNK-KRWDZBQOSA-N 0 3 300.446 3.364 20 30 DGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001016207678 658254353 /nfs/dbraw/zinc/25/43/53/658254353.db2.gz NOVPHSGWNLEXIO-HNNXBMFYSA-N 0 3 306.475 3.389 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001016382750 658276537 /nfs/dbraw/zinc/27/65/37/658276537.db2.gz VUPFROYDJUVLAJ-JTQLQIEISA-N 0 3 318.364 3.147 20 30 DGEDHN C=CCCN1CC[C@@H](NC(=O)c2cscc2C(F)(F)F)C1 ZINC001016426615 658280800 /nfs/dbraw/zinc/28/08/00/658280800.db2.gz MQJUNMYDLSNHFA-SNVBAGLBSA-N 0 3 318.364 3.147 20 30 DGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)co2)C1 ZINC001016433628 658282065 /nfs/dbraw/zinc/28/20/65/658282065.db2.gz PYYVMVWZZIZEPB-QGZVFWFLSA-N 0 3 310.397 3.327 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@]1(C)C=CCC1)C2 ZINC000964617633 658299707 /nfs/dbraw/zinc/29/97/07/658299707.db2.gz OIHNQYKHLMEZOO-DZTUWMGKSA-N 0 3 308.853 3.112 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccccc2C(C)C)CC1 ZINC001016654884 658313773 /nfs/dbraw/zinc/31/37/73/658313773.db2.gz QSKXXQOZQBGCQP-GOSISDBHSA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2CCCCCCC2)CC1 ZINC001016725024 658322684 /nfs/dbraw/zinc/32/26/84/658322684.db2.gz DVVZGMQTJLEDFK-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CC23CCN(C/C=C\Cl)CC3)C1 ZINC001016815591 658336061 /nfs/dbraw/zinc/33/60/61/658336061.db2.gz BSMYPPVHJREPPO-JHAQOBCDSA-N 0 3 308.853 3.066 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)C2CCCCC2)CC1 ZINC001016868086 658345793 /nfs/dbraw/zinc/34/57/93/658345793.db2.gz PXRRFHMBSOIPFU-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001016940885 658355236 /nfs/dbraw/zinc/35/52/36/658355236.db2.gz AJOGWEOGRAZWDS-GOSISDBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC001016986365 658364673 /nfs/dbraw/zinc/36/46/73/658364673.db2.gz PPSWQCYAYOXDBM-QFBILLFUSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2csc3cc(C)ccc23)C1 ZINC000988889445 658414133 /nfs/dbraw/zinc/41/41/33/658414133.db2.gz FANNPVRARSONBA-KBPBESRZSA-N 0 3 312.438 3.036 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001017577838 658440697 /nfs/dbraw/zinc/44/06/97/658440697.db2.gz KZRPELMSPOWVDG-OKZBNKHCSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1CC ZINC001017655780 658447482 /nfs/dbraw/zinc/44/74/82/658447482.db2.gz JXOBAMGLXSVDEB-KDURUIRLSA-N 0 3 312.457 3.043 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001017683080 658449714 /nfs/dbraw/zinc/44/97/14/658449714.db2.gz HAOSWXLFYDQAHT-SFFUCWETSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cccnc21 ZINC001017711259 658452015 /nfs/dbraw/zinc/45/20/15/658452015.db2.gz HQDLWFINXINKAP-CALCHBBNSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001017719064 658453376 /nfs/dbraw/zinc/45/33/76/658453376.db2.gz LNHGSSRMKMKPOW-XDNAFOTISA-N 0 3 316.489 3.476 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001017767857 658458872 /nfs/dbraw/zinc/45/88/72/658458872.db2.gz UFMGEMBVWVWEEP-FCGDIQPGSA-N 0 3 316.489 3.454 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC000966293000 658463159 /nfs/dbraw/zinc/46/31/59/658463159.db2.gz FDUFYTSROFHQBI-UZLBHIALSA-N 0 3 324.468 3.029 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001017821996 658464850 /nfs/dbraw/zinc/46/48/50/658464850.db2.gz OZMIDNIKTZUIAL-TVFCKZIOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)cc(C)c1 ZINC001017885791 658472977 /nfs/dbraw/zinc/47/29/77/658472977.db2.gz LQUXFIGHRWIXDJ-KDURUIRLSA-N 0 3 312.457 3.097 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CC=C(C)C)CC[C@H]1C ZINC000966693989 658492099 /nfs/dbraw/zinc/49/20/99/658492099.db2.gz MFUBUQQQRAFXAS-IAGOWNOFSA-N 0 3 315.461 3.081 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000989469828 658493257 /nfs/dbraw/zinc/49/32/57/658493257.db2.gz USGODJPXWGKDEP-UHFFFAOYSA-N 0 3 304.434 3.265 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC000966751600 658497219 /nfs/dbraw/zinc/49/72/19/658497219.db2.gz KVAYCOYLMRZHRM-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cc(CC)c(CC)o2)CC1 ZINC000989493260 658500235 /nfs/dbraw/zinc/50/02/35/658500235.db2.gz XPKHOZVQWASXFA-UHFFFAOYSA-N 0 3 304.434 3.128 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018189465 658511916 /nfs/dbraw/zinc/51/19/16/658511916.db2.gz AHKFTAWAZGWKHD-QRQLOZEOSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccsc2C(F)F)CC1 ZINC000989574188 658518514 /nfs/dbraw/zinc/51/85/14/658518514.db2.gz JNJITGVKZYCVRT-UHFFFAOYSA-N 0 3 314.401 3.410 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1 ZINC001018229918 658521754 /nfs/dbraw/zinc/52/17/54/658521754.db2.gz OMYQJDZEJPOUNV-HDICACEKSA-N 0 3 316.420 3.010 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1F ZINC001018232034 658522591 /nfs/dbraw/zinc/52/25/91/658522591.db2.gz SHTJNFGRUFSZDP-CALCHBBNSA-N 0 3 316.420 3.010 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000989610671 658527600 /nfs/dbraw/zinc/52/76/00/658527600.db2.gz IXQVERMCJMIISM-UHFFFAOYSA-N 0 3 312.413 3.465 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001018318452 658536982 /nfs/dbraw/zinc/53/69/82/658536982.db2.gz HBCDZSZBGHAIGL-UOVPBQLFSA-N 0 3 304.478 3.310 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000989721949 658554136 /nfs/dbraw/zinc/55/41/36/658554136.db2.gz ATEARYOKGMLZBD-GOSISDBHSA-N 0 3 318.436 3.068 20 30 DGEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000989740393 658562051 /nfs/dbraw/zinc/56/20/51/658562051.db2.gz WPHGMVBGGVPCPL-UZLBHIALSA-N 0 3 318.420 3.179 20 30 DGEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC000989872919 658605594 /nfs/dbraw/zinc/60/55/94/658605594.db2.gz ANUITDAZWIRGPQ-DNVCBOLYSA-N 0 3 308.425 3.080 20 30 DGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3sccc3C)CCC[C@@H]12 ZINC000989909517 658626062 /nfs/dbraw/zinc/62/60/62/658626062.db2.gz FXTYVYDDCFDRSE-PBHICJAKSA-N 0 3 304.459 3.359 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000967944158 658645380 /nfs/dbraw/zinc/64/53/80/658645380.db2.gz MRBPIILJNFIANY-ZBFHGGJFSA-N 0 3 303.450 3.154 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000967944156 658645903 /nfs/dbraw/zinc/64/59/03/658645903.db2.gz MRBPIILJNFIANY-GOEBONIOSA-N 0 3 303.450 3.154 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133270 658672308 /nfs/dbraw/zinc/67/23/08/658672308.db2.gz STRZWUFTLCJJIR-RDTXWAMCSA-N 0 3 316.445 3.020 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC000968321148 658696834 /nfs/dbraw/zinc/69/68/34/658696834.db2.gz FYNJXQOADHYNMV-QFBILLFUSA-N 0 3 324.468 3.202 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001020146210 658710417 /nfs/dbraw/zinc/71/04/17/658710417.db2.gz XHJCCLRJJGBWGC-BQUFFADESA-N 0 3 308.809 3.006 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001020257596 658718082 /nfs/dbraw/zinc/71/80/82/658718082.db2.gz HYWOKVYFRBDSNG-MGCOHNPYSA-N 0 3 318.751 3.129 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001038289709 658741023 /nfs/dbraw/zinc/74/10/23/658741023.db2.gz VEDHFANPVKVUKU-KRWDZBQOSA-N 0 3 316.445 3.082 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1-c1ccncc1 ZINC001038405643 658750074 /nfs/dbraw/zinc/75/00/74/658750074.db2.gz KNHKEOFQWKNKSZ-KRWDZBQOSA-N 0 3 321.424 3.129 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCN1C[C@@H](C)CC ZINC001038428204 658752786 /nfs/dbraw/zinc/75/27/86/658752786.db2.gz PYUXMNRPFDJNJA-JKSUJKDBSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(F)cc2ccoc21 ZINC001038437232 658752945 /nfs/dbraw/zinc/75/29/45/658752945.db2.gz QJVQLEPBHRAACZ-HNNXBMFYSA-N 0 3 316.376 3.342 20 30 DGEDHN C#CCCN1CC[C@@]2(NC(=O)c3sccc3Cl)CCC[C@H]12 ZINC000990792024 658752868 /nfs/dbraw/zinc/75/28/68/658752868.db2.gz PYKMBHKSZNSEKK-BBRMVZONSA-N 0 3 322.861 3.152 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001038488173 658757206 /nfs/dbraw/zinc/75/72/06/658757206.db2.gz IXROGPRWBGETMW-OAHLLOKOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038670534 658779158 /nfs/dbraw/zinc/77/91/58/658779158.db2.gz VCGJGMWLYUQOHW-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001038725590 658787944 /nfs/dbraw/zinc/78/79/44/658787944.db2.gz MHDLFISAVLAUIA-CYBMUJFWSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001038792618 658802208 /nfs/dbraw/zinc/80/22/08/658802208.db2.gz PYCPVZJACCXIRA-ARFHVFGLSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038822109 658812670 /nfs/dbraw/zinc/81/26/70/658812670.db2.gz IEESNWNWOVJYKM-OAHLLOKOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3nc(C)sc3C)CCC[C@H]12 ZINC000991327447 658861382 /nfs/dbraw/zinc/86/13/82/658861382.db2.gz DKBIREONDOEBHI-YOEHRIQHSA-N 0 3 319.474 3.063 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001038834210 658947068 /nfs/dbraw/zinc/94/70/68/658947068.db2.gz XJQFQYLIZMDZPY-KRWDZBQOSA-N 0 3 300.446 3.364 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(-c2ccoc2)c1 ZINC001038893984 658953328 /nfs/dbraw/zinc/95/33/28/658953328.db2.gz PHACJCMXSLRMRE-GOSISDBHSA-N 0 3 310.397 3.327 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(C(F)(F)F)c1 ZINC001038961309 658966483 /nfs/dbraw/zinc/96/64/83/658966483.db2.gz VDWNCLDLRUNCNP-CQSZACIVSA-N 0 3 312.335 3.086 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(C(F)(F)F)c1 ZINC001038961307 658966911 /nfs/dbraw/zinc/96/69/11/658966911.db2.gz VDWNCLDLRUNCNP-AWEZNQCLSA-N 0 3 312.335 3.086 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccsc1C(F)F ZINC001038967939 658967359 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C=CCN1C[C@@H](NC(=O)c2cccc3ncccc32)CC[C@H]1C ZINC001071720863 686733326 /nfs/dbraw/zinc/73/33/26/686733326.db2.gz IOYFSSCIELGOHN-CABCVRRESA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3ccsc3[nH]2)CC[C@H]1C ZINC001071724501 686734649 /nfs/dbraw/zinc/73/46/49/686734649.db2.gz IDIDZKAGHBQXEP-OCCSQVGLSA-N 0 3 317.458 3.388 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@@H]1C ZINC001071783222 686752153 /nfs/dbraw/zinc/75/21/53/686752153.db2.gz LRDXGQQODJBAQS-YOEHRIQHSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(Cl)c2)CC[C@H]1C ZINC001071791810 686754197 /nfs/dbraw/zinc/75/41/97/686754197.db2.gz ASRHGGGLYZVCKL-CZUORRHYSA-N 0 3 306.837 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3cc[nH]c32)CC[C@H]1C ZINC001071835653 686765534 /nfs/dbraw/zinc/76/55/34/686765534.db2.gz OPCOTWPAINZUCC-ZBFHGGJFSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3cc[nH]c32)CC[C@H]1C ZINC001071835646 686765700 /nfs/dbraw/zinc/76/57/00/686765700.db2.gz OPCOTWPAINZUCC-GDBMZVCRSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(Cl)c2F)CC[C@H]1C ZINC001071839828 686767357 /nfs/dbraw/zinc/76/73/57/686767357.db2.gz HSNJAQNPMPFSPM-OCCSQVGLSA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3ccncc32)CC[C@H]1C ZINC001071957260 686796173 /nfs/dbraw/zinc/79/61/73/686796173.db2.gz GCLKPEMGWVCIIY-NVXWUHKLSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(Cl)cc2)CC[C@H]1C ZINC001072008392 686813232 /nfs/dbraw/zinc/81/32/32/686813232.db2.gz FXSYSUYGQDKEOO-CJNGLKHVSA-N 0 3 306.837 3.499 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3ccccc3c2)CC[C@H]1C ZINC001072019590 686826473 /nfs/dbraw/zinc/82/64/73/686826473.db2.gz LPMKAVVXCWNBSS-UZLBHIALSA-N 0 3 320.436 3.446 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2C)CC[C@H]1C ZINC001072040100 686837730 /nfs/dbraw/zinc/83/77/30/686837730.db2.gz HMNPBXTXWYMFKM-IAGOWNOFSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072043918 686840815 /nfs/dbraw/zinc/84/08/15/686840815.db2.gz GKPIFDGHHLDIGU-WMZOPIPTSA-N 0 3 300.446 3.462 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)CC[C@@H]1C ZINC001072049951 686845094 /nfs/dbraw/zinc/84/50/94/686845094.db2.gz RZQSMGWSEYIXQW-JXFKEZNVSA-N 0 3 324.468 3.171 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccn2C(C)C)CC[C@@H]1C ZINC001072076306 686856863 /nfs/dbraw/zinc/85/68/63/686856863.db2.gz MSHAGQLSBKFSOS-JKSUJKDBSA-N 0 3 303.450 3.228 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3cnccc32)CC[C@@H]1C ZINC001072082531 686857761 /nfs/dbraw/zinc/85/77/61/686857761.db2.gz ZNNMSLJFXLFUED-DOTOQJQBSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2CCC(C)(C)CC2)CC[C@@H]1C ZINC001072105719 686868842 /nfs/dbraw/zinc/86/88/42/686868842.db2.gz KXCVVBDVVMJLPY-DOTOQJQBSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC001072740637 686955465 /nfs/dbraw/zinc/95/54/65/686955465.db2.gz DFPIGYHANNJWMU-MSOLQXFVSA-N 0 3 324.468 3.147 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)Cc3coc4ccc(C)cc34)C2)C1 ZINC001072788290 686961058 /nfs/dbraw/zinc/96/10/58/686961058.db2.gz GJVGECGIJFYWCN-UHFFFAOYSA-N 0 3 324.424 3.004 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(Cc4ccccc4)CCC3)C2)C1 ZINC001072819998 686965557 /nfs/dbraw/zinc/96/55/57/686965557.db2.gz NUMLOFXXNWLEBK-UHFFFAOYSA-N 0 3 324.468 3.120 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@]3(C)CCCc4ccccc43)C2)C1 ZINC001073060881 687006420 /nfs/dbraw/zinc/00/64/20/687006420.db2.gz PBCUZOXARQRSNI-HXUWFJFHSA-N 0 3 324.468 3.001 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)c3ccc(CC)cc3)C2)C1 ZINC001073059822 687006815 /nfs/dbraw/zinc/00/68/15/687006815.db2.gz WGNXASWBGOOSSQ-INIZCTEOSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)c3ccc(CC)cc3)C2)C1 ZINC001073059823 687006907 /nfs/dbraw/zinc/00/69/07/687006907.db2.gz WGNXASWBGOOSSQ-MRXNPFEDSA-N 0 3 312.457 3.073 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC001073127980 687015701 /nfs/dbraw/zinc/01/57/01/687015701.db2.gz MYZXDAQGNZNERR-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)c(Cl)cc3C)[C@@H]2C1 ZINC001076124609 687482841 /nfs/dbraw/zinc/48/28/41/687482841.db2.gz JHMPGWXOHDMUFW-WMLDXEAASA-N 0 3 318.848 3.289 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)[C@@H]2C1 ZINC001076186260 687493148 /nfs/dbraw/zinc/49/31/48/687493148.db2.gz BNGVQONXHIFSKZ-IJXRJRJASA-N 0 3 324.468 3.071 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001076299982 687505742 /nfs/dbraw/zinc/50/57/42/687505742.db2.gz SEQMBSJVNOUSDE-YTQUADARSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](F)CC3CCCCC3)[C@@H]2C1 ZINC001076464255 687526100 /nfs/dbraw/zinc/52/61/00/687526100.db2.gz BBOJEGLUZLUTOR-RCCFBDPRSA-N 0 3 322.468 3.404 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001076490141 687528856 /nfs/dbraw/zinc/52/88/56/687528856.db2.gz YOFQMHDQIAXSLO-FUHWJXTLSA-N 0 3 312.457 3.316 20 30 DGEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)s3)[C@@H]2C1 ZINC001076531657 687535299 /nfs/dbraw/zinc/53/52/99/687535299.db2.gz XEDQYODUJVSKDA-NWDGAFQWSA-N 0 3 310.850 3.124 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2)C12CCC2 ZINC001078539130 687678607 /nfs/dbraw/zinc/67/86/07/687678607.db2.gz NQCQRHBNWMRTRT-HUUCEWRRSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC2CCCC2)C12CCC2 ZINC001078541148 687679623 /nfs/dbraw/zinc/67/96/23/687679623.db2.gz LZTBGCOCWQDWLB-CABCVRRESA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)oc2C)C12CCC2 ZINC001078550731 687681283 /nfs/dbraw/zinc/68/12/83/687681283.db2.gz ILWPSSLSLCLJNW-GJZGRUSLSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccoc2CC)C12CCC2 ZINC001078613790 687689251 /nfs/dbraw/zinc/68/92/51/687689251.db2.gz ABSMEMVDAGVXAZ-GJZGRUSLSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccoc2CC)C12CCC2 ZINC001078613791 687689269 /nfs/dbraw/zinc/68/92/69/687689269.db2.gz ABSMEMVDAGVXAZ-HUUCEWRRSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(C)CCCC2)C12CCC2 ZINC001078693134 687706323 /nfs/dbraw/zinc/70/63/23/687706323.db2.gz MKODSWNDEWPOSL-ZIAGYGMSSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CC(=C)C2)C12CCC2 ZINC001078720140 687713437 /nfs/dbraw/zinc/71/34/37/687713437.db2.gz GVYKPVUCNWMYHJ-UONOGXRCSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001079930729 687904215 /nfs/dbraw/zinc/90/42/15/687904215.db2.gz AFDOHGGIKPYWOD-RDTXWAMCSA-N 0 3 323.440 3.169 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001080054897 687915489 /nfs/dbraw/zinc/91/54/89/687915489.db2.gz HVARWRLKLJFAEW-RHSMWYFYSA-N 0 3 316.445 3.055 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC001080581441 687997959 /nfs/dbraw/zinc/99/79/59/687997959.db2.gz PMQKHXDVSGYZCR-CHWSQXEVSA-N 0 3 321.490 3.067 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001080779381 688011902 /nfs/dbraw/zinc/01/19/02/688011902.db2.gz LIEJYBDRKCUWSY-DNVCBOLYSA-N 0 3 310.441 3.028 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001080863543 688021196 /nfs/dbraw/zinc/02/11/96/688021196.db2.gz RRACIGMBHDWOJG-DNVCBOLYSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001081010204 688033569 /nfs/dbraw/zinc/03/35/69/688033569.db2.gz PFUQMHQBPIRKJW-DNVCBOLYSA-N 0 3 312.457 3.110 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(CC)oc3ccccc32)C1 ZINC001081007807 688033650 /nfs/dbraw/zinc/03/36/50/688033650.db2.gz IYFLTXSJPJKPQD-GDBMZVCRSA-N 0 3 324.424 3.069 20 30 DGEDHN CCC(CC)CN(CCC#N)C(=O)c1cc2c(s1)CNCC2 ZINC001577069694 1191882871 /nfs/dbraw/zinc/88/28/71/1191882871.db2.gz RDFRFQWZORHKTC-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC001577426764 1191900359 /nfs/dbraw/zinc/90/03/59/1191900359.db2.gz WEPTWQGXYTWYTE-HZPDHXFCSA-N 0 3 312.498 3.338 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001577430050 1191901166 /nfs/dbraw/zinc/90/11/66/1191901166.db2.gz KXOCIUQQDDSIIU-NXOAAHMSSA-N 0 3 310.482 3.138 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC001578367997 1191939291 /nfs/dbraw/zinc/93/92/91/1191939291.db2.gz FIEJLBGUIPFXQC-ZDUSSCGKSA-N 0 3 314.216 3.367 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1c(Cl)cccc1Cl ZINC001578368322 1191939496 /nfs/dbraw/zinc/93/94/96/1191939496.db2.gz LTTQNYNXTLTUSF-LBPRGKRZSA-N 0 3 314.216 3.367 20 30 DGEDHN CSc1ccc(Cl)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC001579387683 1191975329 /nfs/dbraw/zinc/97/53/29/1191975329.db2.gz BISSLPAPSISPFT-GFCCVEGCSA-N 0 3 311.838 3.412 20 30 DGEDHN CCC[C@@H](C)CCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC001620559532 1191988170 /nfs/dbraw/zinc/98/81/70/1191988170.db2.gz WBZOSAMQIAJENV-MRXNPFEDSA-N 0 3 300.450 3.292 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC001580049276 1192004791 /nfs/dbraw/zinc/00/47/91/1192004791.db2.gz MSFDEOYNGVRDPI-IAGOWNOFSA-N 0 3 305.466 3.359 20 30 DGEDHN N#Cc1cc(NC(=O)[C@H](N)CC2CCCCC2)nc2ccccc12 ZINC001580059533 1192005411 /nfs/dbraw/zinc/00/54/11/1192005411.db2.gz FIIJQNMYTQZKPR-MRXNPFEDSA-N 0 3 322.412 3.343 20 30 DGEDHN C=CCCC[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC001583472535 1192147900 /nfs/dbraw/zinc/14/79/00/1192147900.db2.gz XIKOPJSITJZUGL-IEBWSBKVSA-N 0 3 312.457 3.479 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001584331990 1192190636 /nfs/dbraw/zinc/19/06/36/1192190636.db2.gz XVPNDAPOLAPKDQ-LZLYRXPVSA-N 0 3 300.446 3.225 20 30 DGEDHN C#CCCCCCC[NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588345842 1192445049 /nfs/dbraw/zinc/44/50/49/1192445049.db2.gz NLYXCMPSEBFJSP-UHFFFAOYSA-N 0 3 323.444 3.419 20 30 DGEDHN C#CCCCCCC[NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588345842 1192445052 /nfs/dbraw/zinc/44/50/52/1192445052.db2.gz NLYXCMPSEBFJSP-UHFFFAOYSA-N 0 3 323.444 3.419 20 30 DGEDHN C#CCCCCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588345469 1192445539 /nfs/dbraw/zinc/44/55/39/1192445539.db2.gz BBJVCDZWUHJHPU-SFHVURJKSA-N 0 3 323.444 3.417 20 30 DGEDHN C#CCCCCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588345469 1192445540 /nfs/dbraw/zinc/44/55/40/1192445540.db2.gz BBJVCDZWUHJHPU-SFHVURJKSA-N 0 3 323.444 3.417 20 30 DGEDHN C=CCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(C)c2)CCCC1 ZINC001588557668 1192450262 /nfs/dbraw/zinc/45/02/62/1192450262.db2.gz SCVRXJOWHCGJGF-UHFFFAOYSA-N 0 3 311.433 3.401 20 30 DGEDHN C=CCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(C)c2)CCCC1 ZINC001588557668 1192450266 /nfs/dbraw/zinc/45/02/66/1192450266.db2.gz SCVRXJOWHCGJGF-UHFFFAOYSA-N 0 3 311.433 3.401 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1c(C)cccc1Cl ZINC001772511608 1176040978 /nfs/dbraw/zinc/04/09/78/1176040978.db2.gz WGUYXDQCFKSURX-HNNXBMFYSA-N 0 3 320.864 3.388 20 30 DGEDHN C#C[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(Cl)cc1 ZINC001596961622 1192713213 /nfs/dbraw/zinc/71/32/13/1192713213.db2.gz XMEGLQYIHNCSRO-JKSUJKDBSA-N 0 3 304.821 3.003 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001266610190 1176202832 /nfs/dbraw/zinc/20/28/32/1176202832.db2.gz MCMSNCZMGGKKNI-SHTZXODSSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001670730103 1176251181 /nfs/dbraw/zinc/25/11/81/1176251181.db2.gz RWVPMLZYWWFMFQ-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C(F)(F)F ZINC001691053108 1176278244 /nfs/dbraw/zinc/27/82/44/1176278244.db2.gz KHYUJIVMFVSGRU-KGLIPLIRSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@H]2CCN2C[C@H](C)OC)CCCCC1 ZINC001691061718 1176286444 /nfs/dbraw/zinc/28/64/44/1176286444.db2.gz JCAQJCKPDMZYMF-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)cn1CC ZINC001691072367 1176295313 /nfs/dbraw/zinc/29/53/13/1176295313.db2.gz XBVKOTIXFWLZRA-HNNXBMFYSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCCC1 ZINC001691108846 1176319162 /nfs/dbraw/zinc/31/91/62/1176319162.db2.gz QGXIFAQRHVQVAH-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001691136265 1176332775 /nfs/dbraw/zinc/33/27/75/1176332775.db2.gz JLUQDUMVCLWGQW-INIZCTEOSA-N 0 3 318.848 3.082 20 30 DGEDHN Cn1cc(-c2ccc(CNCc3ccc(C#N)s3)s2)cn1 ZINC001620976164 1192735134 /nfs/dbraw/zinc/73/51/34/1192735134.db2.gz RCMYRZZUPFVICU-UHFFFAOYSA-N 0 3 314.439 3.372 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1coc2c1cccc2C ZINC001691184083 1176368429 /nfs/dbraw/zinc/36/84/29/1176368429.db2.gz ZDMOFANJDWAFFV-UHFFFAOYSA-N 0 3 312.413 3.206 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)CCCC)C2 ZINC001691802472 1176411655 /nfs/dbraw/zinc/41/16/55/1176411655.db2.gz UIHMAJLFLFELSI-UHFFFAOYSA-N 0 3 321.490 3.274 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C(C)(F)F ZINC001691289747 1176427330 /nfs/dbraw/zinc/42/73/30/1176427330.db2.gz QGDAUAMDUJFURX-PWSUYJOCSA-N 0 3 308.800 3.001 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC001597613633 1192740430 /nfs/dbraw/zinc/74/04/30/1192740430.db2.gz KDOCZXGLOLBRAE-UHFFFAOYSA-N 0 3 312.457 3.252 20 30 DGEDHN C=CCC[NH2+][C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001691772933 1176436145 /nfs/dbraw/zinc/43/61/45/1176436145.db2.gz SJUOGQACEXKXMC-KRWDZBQOSA-N 0 3 310.397 3.029 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)Cc1c(F)cccc1F ZINC001691395310 1176462995 /nfs/dbraw/zinc/46/29/95/1176462995.db2.gz IMTCAPPILIXUJR-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001691410303 1176474136 /nfs/dbraw/zinc/47/41/36/1176474136.db2.gz OLJHLOWXYXXYDZ-QGZVFWFLSA-N 0 3 318.436 3.212 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(C[C@@H](F)CC)CC(C)(C)C1 ZINC001750947295 1176575928 /nfs/dbraw/zinc/57/59/28/1176575928.db2.gz UOCHWOIXKPENSN-JKSUJKDBSA-N 0 3 310.457 3.145 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001754557810 1176604556 /nfs/dbraw/zinc/60/45/56/1176604556.db2.gz NWVHPBJNBSKEEO-LJQANCHMSA-N 0 3 304.478 3.295 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)CCC)C1CCN(CC(=C)C)CC1 ZINC001754635501 1176652043 /nfs/dbraw/zinc/65/20/43/1176652043.db2.gz NYEWASWDHMGAMQ-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001691494854 1176820247 /nfs/dbraw/zinc/82/02/47/1176820247.db2.gz OCVQJUNNEPEVNQ-BZUAXINKSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001670788521 1176845687 /nfs/dbraw/zinc/84/56/87/1176845687.db2.gz KSNZTXOTGLNTDU-UHFFFAOYSA-N 0 3 306.475 3.397 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)c1F ZINC001755254014 1176872057 /nfs/dbraw/zinc/87/20/57/1176872057.db2.gz LSJJYQHLLVHLJA-QWHCGFSZSA-N 0 3 324.827 3.121 20 30 DGEDHN CC(C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1)=C1CCC1 ZINC001753688219 1176932395 /nfs/dbraw/zinc/93/23/95/1176932395.db2.gz ABNKGFWBWQOHTH-LBPRGKRZSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001752815176 1177190332 /nfs/dbraw/zinc/19/03/32/1177190332.db2.gz AMRAWIMHDIHZOA-GOSISDBHSA-N 0 3 320.477 3.050 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001691614021 1177327806 /nfs/dbraw/zinc/32/78/06/1177327806.db2.gz RXWZSUCIKUGCNW-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001691614020 1177328524 /nfs/dbraw/zinc/32/85/24/1177328524.db2.gz RXWZSUCIKUGCNW-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCCC(=O)N1CC[C@@](C)(CNCc2c(F)cccc2F)C1 ZINC001671714596 1177581887 /nfs/dbraw/zinc/58/18/87/1177581887.db2.gz IFPKZHLLILSAJV-SFHVURJKSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001691660868 1177604442 /nfs/dbraw/zinc/60/44/42/1177604442.db2.gz HWUPFXAPJLVJJA-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](CC)c3ccccc3)C2)C1 ZINC001671084513 1177774038 /nfs/dbraw/zinc/77/40/38/1177774038.db2.gz BTTVXTBZRXOAQC-RXVVDRJESA-N 0 3 324.468 3.128 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C3(CC(C)C)CCCC3)C2)C1 ZINC001671086370 1177775703 /nfs/dbraw/zinc/77/57/03/1177775703.db2.gz XLNZTUREWWFYNC-IBGZPJMESA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001691712051 1177880716 /nfs/dbraw/zinc/88/07/16/1177880716.db2.gz OKPCQNQUFOMAAR-MJGOQNOKSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001691719898 1177886603 /nfs/dbraw/zinc/88/66/03/1177886603.db2.gz NOIAKBLWDSLSKY-ZBFHGGJFSA-N 0 3 306.475 3.492 20 30 DGEDHN CC(C)N(CCCNC(=O)C1(C)CC1)Cc1ccc(C#N)s1 ZINC001691727733 1177890681 /nfs/dbraw/zinc/89/06/81/1177890681.db2.gz XVMWUXVSONAKPT-UHFFFAOYSA-N 0 3 319.474 3.137 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)CC1 ZINC001275479882 1177930240 /nfs/dbraw/zinc/93/02/40/1177930240.db2.gz CXSPVFDDVVGCRI-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)[C@@H](N)CCCC#N ZINC001330976037 1178104096 /nfs/dbraw/zinc/10/40/96/1178104096.db2.gz KHJCAIJUZFTEPH-OIISXLGYSA-N 0 3 313.445 3.191 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001331000983 1178109182 /nfs/dbraw/zinc/10/91/82/1178109182.db2.gz JVIFFXLMMXEMEK-GIJQJNRQSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](CNCCF)C2CC2)CCCCC1 ZINC001331360722 1178194569 /nfs/dbraw/zinc/19/45/69/1178194569.db2.gz OLUDPNIZIAOGHF-INIZCTEOSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001331428390 1178211380 /nfs/dbraw/zinc/21/13/80/1178211380.db2.gz WPDZDJXEDBWDHK-KBPBESRZSA-N 0 3 322.399 3.266 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001331440377 1178214848 /nfs/dbraw/zinc/21/48/48/1178214848.db2.gz HPQATYHMRUJTFO-ROUUACIJSA-N 0 3 314.473 3.301 20 30 DGEDHN CC(C)(C)N1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001331608466 1178259096 /nfs/dbraw/zinc/25/90/96/1178259096.db2.gz BZBMUIFRSSKGKX-UHFFFAOYSA-N 0 3 323.387 3.076 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C(CC)(CC)c1ccccc1 ZINC001331644668 1178266615 /nfs/dbraw/zinc/26/66/15/1178266615.db2.gz QLFNSGRDTSGTQK-KRWDZBQOSA-N 0 3 314.473 3.204 20 30 DGEDHN CC/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001331859353 1178293213 /nfs/dbraw/zinc/29/32/13/1178293213.db2.gz HIXQWSRXILMRTF-GEABEXGGSA-N 0 3 317.458 3.055 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001332844643 1178506407 /nfs/dbraw/zinc/50/64/07/1178506407.db2.gz TVDZBOBVIFTPNM-NVXWUHKLSA-N 0 3 317.477 3.304 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001332843895 1178507201 /nfs/dbraw/zinc/50/72/01/1178507201.db2.gz QAPGTUBSPXHJER-DZGCQCFKSA-N 0 3 323.506 3.366 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001332858277 1178509118 /nfs/dbraw/zinc/50/91/18/1178509118.db2.gz RAQGVJMEKSMBNS-WMLDXEAASA-N 0 3 323.506 3.366 20 30 DGEDHN CN(C(=O)CCC1CCC1)C1CC(NCC#Cc2ccccc2)C1 ZINC001333050687 1178546417 /nfs/dbraw/zinc/54/64/17/1178546417.db2.gz YIZHRDABBPCPDS-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@H](O)CC#N ZINC001333330595 1178590407 /nfs/dbraw/zinc/59/04/07/1178590407.db2.gz VXSCDSIWTTXHTN-SMDDNHRTSA-N 0 3 301.415 3.044 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1c(C)noc1C ZINC001335843960 1178962587 /nfs/dbraw/zinc/96/25/87/1178962587.db2.gz HWIQWJDMSWFDJK-INIZCTEOSA-N 0 3 309.454 3.328 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001341445745 1179008659 /nfs/dbraw/zinc/00/86/59/1179008659.db2.gz INZKCSJEAOUNQG-ZBFHGGJFSA-N 0 3 306.837 3.340 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC001341465109 1179012109 /nfs/dbraw/zinc/01/21/09/1179012109.db2.gz GMZDZZNOYAITCF-QGZVFWFLSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC001341484935 1179015868 /nfs/dbraw/zinc/01/58/68/1179015868.db2.gz DSIYUJGOIFJBBI-DZGCQCFKSA-N 0 3 313.401 3.202 20 30 DGEDHN CC[C@H]1CCCc2sc(NC(=O)[C@@H](N)CCCCC#N)nc21 ZINC001341780840 1179061744 /nfs/dbraw/zinc/06/17/44/1179061744.db2.gz POMXNUFMCPGMFQ-RYUDHWBXSA-N 0 3 320.462 3.323 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC001341871969 1179074370 /nfs/dbraw/zinc/07/43/70/1179074370.db2.gz RRZHEOACPKUUSY-ZBFHGGJFSA-N 0 3 306.454 3.151 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1-c1nccs1 ZINC001342156451 1179110774 /nfs/dbraw/zinc/11/07/74/1179110774.db2.gz HWAMDKNRFJUDQV-ZDUSSCGKSA-N 0 3 314.414 3.160 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001342163105 1179111271 /nfs/dbraw/zinc/11/12/71/1179111271.db2.gz KUFKLBCXMYQIPG-KGLIPLIRSA-N 0 3 310.344 3.095 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H](C)c1nccnc1C ZINC001342343751 1179132142 /nfs/dbraw/zinc/13/21/42/1179132142.db2.gz BNKNWFHCTWJLPU-HUUCEWRRSA-N 0 3 306.454 3.040 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(CC)[C@@H](C)CC ZINC001342354573 1179133233 /nfs/dbraw/zinc/13/32/33/1179133233.db2.gz HIMGAAIQTROMSO-HOTGVXAUSA-N 0 3 319.497 3.288 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001342387923 1179137187 /nfs/dbraw/zinc/13/71/87/1179137187.db2.gz ZGHREYRCNCUJCJ-WMZOPIPTSA-N 0 3 304.409 3.157 20 30 DGEDHN CC(C)C1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)COC1 ZINC001342505866 1179146697 /nfs/dbraw/zinc/14/66/97/1179146697.db2.gz MSXDZCUJBVXVKK-LLVKDONJSA-N 0 3 318.373 3.284 20 30 DGEDHN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC001342521225 1179149125 /nfs/dbraw/zinc/14/91/25/1179149125.db2.gz VQBLRJKHCMNROM-BPQIPLTHSA-N 0 3 313.445 3.192 20 30 DGEDHN CC(C)(Cc1ccc(C#N)cc1)NC(=O)C[C@@H](N)c1ccccc1 ZINC001342536062 1179151326 /nfs/dbraw/zinc/15/13/26/1179151326.db2.gz LWDSWAPXQBNYRV-GOSISDBHSA-N 0 3 321.424 3.086 20 30 DGEDHN Cc1ccccc1[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC001342716031 1179178203 /nfs/dbraw/zinc/17/82/03/1179178203.db2.gz HAZPLAASRBKAOM-RHSMWYFYSA-N 0 3 312.413 3.256 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(C(N)=O)cc1C ZINC001342824643 1179194469 /nfs/dbraw/zinc/19/44/69/1179194469.db2.gz YQPYAZQEZXHZCC-HNNXBMFYSA-N 0 3 319.449 3.110 20 30 DGEDHN CO[C@](C)(C(=O)C(C#N)c1cccc(F)n1)c1ccccc1F ZINC001343351328 1179260663 /nfs/dbraw/zinc/26/06/63/1179260663.db2.gz OXDSLRZBAAUJJZ-GTNSWQLSSA-N 0 3 316.307 3.098 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(n2ccnc2)CC1 ZINC001343409799 1179269490 /nfs/dbraw/zinc/26/94/90/1179269490.db2.gz SGOOBNBLRLEVQU-QGZVFWFLSA-N 0 3 320.481 3.125 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC001343592383 1179301512 /nfs/dbraw/zinc/30/15/12/1179301512.db2.gz IXVQZDRCQXQMNW-MRXNPFEDSA-N 0 3 308.372 3.139 20 30 DGEDHN N#CC(C(=O)Cc1cccc2ccccc21)C(=O)NC1CCCC1 ZINC001343983575 1179359894 /nfs/dbraw/zinc/35/98/94/1179359894.db2.gz XHYCEYJNETYABD-SFHVURJKSA-N 0 3 320.392 3.150 20 30 DGEDHN N#CC(C(=O)CCc1cccc(F)c1F)c1cccc(F)n1 ZINC001344003699 1179362196 /nfs/dbraw/zinc/36/21/96/1179362196.db2.gz AIXNBWCIABJNBQ-LLVKDONJSA-N 0 3 304.271 3.308 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC001344322041 1179411700 /nfs/dbraw/zinc/41/17/00/1179411700.db2.gz GQUIXYLMISKMPX-JOYOIKCWSA-N 0 3 300.189 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C)c1Cl ZINC001344322562 1179412192 /nfs/dbraw/zinc/41/21/92/1179412192.db2.gz RUJFFBIJYWSWLL-ZDUSSCGKSA-N 0 3 301.777 3.284 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC(C1CC1)C1CC1 ZINC001344788803 1179476087 /nfs/dbraw/zinc/47/60/87/1179476087.db2.gz VSSNUZORIMNOHJ-GOSISDBHSA-N 0 3 324.424 3.180 20 30 DGEDHN CCc1cc(C(=O)C(C#N)c2ncc(Cl)n2C)cc(Cl)n1 ZINC001344864574 1179488455 /nfs/dbraw/zinc/48/84/55/1179488455.db2.gz TVERLBUIVZLZRU-JTQLQIEISA-N 0 3 323.183 3.174 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001346095425 1179651384 /nfs/dbraw/zinc/65/13/84/1179651384.db2.gz DPCDGQGBZZNXEA-IUCAKERBSA-N 0 3 301.724 3.075 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001346097175 1179652706 /nfs/dbraw/zinc/65/27/06/1179652706.db2.gz ZJFQBCCVFRQVFT-SYNHAJSKSA-N 0 3 319.408 3.373 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001346272565 1179678495 /nfs/dbraw/zinc/67/84/95/1179678495.db2.gz YTVGJFFXFPYORP-OCCSQVGLSA-N 0 3 303.431 3.070 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001347392329 1179802258 /nfs/dbraw/zinc/80/22/58/1179802258.db2.gz SRYYTUUSMQDCLJ-MNOVXSKESA-N 0 3 317.776 3.209 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1cccc(C)c1C ZINC001349701709 1179935509 /nfs/dbraw/zinc/93/55/09/1179935509.db2.gz JEDXZXQIDGQKCQ-OAHLLOKOSA-N 0 3 311.385 3.165 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC001352014780 1180279357 /nfs/dbraw/zinc/27/93/57/1180279357.db2.gz PGKNJUSGQHACMB-UHFFFAOYSA-N 0 3 318.461 3.188 20 30 DGEDHN CCCCCCCCC(=O)N[C@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001100084863 1180367569 /nfs/dbraw/zinc/36/75/69/1180367569.db2.gz BYNQAZZOJRPJGW-ROUUACIJSA-N 0 3 324.509 3.255 20 30 DGEDHN C#CCCCCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200155202 1180413093 /nfs/dbraw/zinc/41/30/93/1180413093.db2.gz BIMFSFWOZIQKOV-ACCUITESSA-N 0 3 317.260 3.080 20 30 DGEDHN COc1ccc(CNc2c(C)cnc3ccccc32)cc1C#N ZINC001353002566 1180441711 /nfs/dbraw/zinc/44/17/11/1180441711.db2.gz FKXJIHHCCUPNTF-UHFFFAOYSA-N 0 3 303.365 3.458 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001200272232 1180499171 /nfs/dbraw/zinc/49/91/71/1180499171.db2.gz ICAOXJFHJVQNNM-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H](C#N)c1ccc(NC(=S)NCCN2CCCCC2)cc1 ZINC001200430198 1180635020 /nfs/dbraw/zinc/63/50/20/1180635020.db2.gz KABAPOBWKQHGJL-CQSZACIVSA-N 0 3 316.474 3.086 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100644906 1180886723 /nfs/dbraw/zinc/88/67/23/1180886723.db2.gz MDWBTNSUQYQELR-GRERDSQWSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2ccsc2)C1 ZINC001100670318 1180912123 /nfs/dbraw/zinc/91/21/23/1180912123.db2.gz NNONLBXEJRUQEO-LKSINWNRSA-N 0 3 312.866 3.089 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(NCc2c(F)cccc2F)CC1 ZINC001200815680 1180932270 /nfs/dbraw/zinc/93/22/70/1180932270.db2.gz KQAXEUDKNLJIEJ-UHFFFAOYSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100711461 1180954737 /nfs/dbraw/zinc/95/47/37/1180954737.db2.gz QQJDONZLVMYSEJ-UHFFFAOYSA-N 0 3 319.276 3.392 20 30 DGEDHN N#CC(C(=O)Cc1ccccc1)c1nccn1Cc1ccccc1 ZINC001357556313 1181407008 /nfs/dbraw/zinc/40/70/08/1181407008.db2.gz KLFBJSFFHYJYRB-GOSISDBHSA-N 0 3 315.376 3.350 20 30 DGEDHN N#C[C@@H]1CC[C@H](OC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC001357661252 1181416554 /nfs/dbraw/zinc/41/65/54/1181416554.db2.gz FAVFYUPVPGVSQD-AEFFLSMTSA-N 0 3 312.413 3.134 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1ncccc1C)C(C)(C)C ZINC001358452785 1181495685 /nfs/dbraw/zinc/49/56/85/1181495685.db2.gz MEJNOIOSHZZGAH-ZBFHGGJFSA-N 0 3 303.450 3.277 20 30 DGEDHN Cc1cccnc1[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC001358453211 1181496295 /nfs/dbraw/zinc/49/62/95/1181496295.db2.gz ONLYCSKOSHQGOS-ZBFHGGJFSA-N 0 3 316.449 3.005 20 30 DGEDHN C=CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001473437961 1181523583 /nfs/dbraw/zinc/52/35/83/1181523583.db2.gz OHCFFZKEAGKLHW-CQSZACIVSA-N 0 3 319.405 3.080 20 30 DGEDHN C=CCCC1(CNCc2cn(C)nc2C(=O)OCC)CCCC1 ZINC001474626500 1181595352 /nfs/dbraw/zinc/59/53/52/1181595352.db2.gz WWXIFJYNTCYSNR-UHFFFAOYSA-N 0 3 319.449 3.213 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001359851388 1181609685 /nfs/dbraw/zinc/60/96/85/1181609685.db2.gz KUNOCNWXEPAWLH-CQSZACIVSA-N 0 3 324.415 3.457 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C(F)(F)F)s1 ZINC001492889682 1181730179 /nfs/dbraw/zinc/73/01/79/1181730179.db2.gz OLJBUYPFRUDGTK-UHFFFAOYSA-N 0 3 306.353 3.005 20 30 DGEDHN C=CC1(CC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CCCCC1 ZINC001447108116 1182183328 /nfs/dbraw/zinc/18/33/28/1182183328.db2.gz SWYGDBPCXXLRRG-LSDHHAIUSA-N 0 3 310.507 3.017 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001448884425 1182216973 /nfs/dbraw/zinc/21/69/73/1182216973.db2.gz RLDFGQYFFTWEDQ-UHFFFAOYSA-N 0 3 304.478 3.169 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001448881968 1182217065 /nfs/dbraw/zinc/21/70/65/1182217065.db2.gz HXRDHGJSKGNFAM-HNNXBMFYSA-N 0 3 306.425 3.286 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC001459479802 1182588419 /nfs/dbraw/zinc/58/84/19/1182588419.db2.gz HEFVKTRSWXHRAK-LPHOPBHVSA-N 0 3 319.493 3.498 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459741504 1182611712 /nfs/dbraw/zinc/61/17/12/1182611712.db2.gz KTDTYNSJLWRRFQ-KBPBESRZSA-N 0 3 319.836 3.187 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C1(CC)CC ZINC001459751490 1182611999 /nfs/dbraw/zinc/61/19/99/1182611999.db2.gz PUGIOOZAZVIVGO-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459741511 1182612259 /nfs/dbraw/zinc/61/22/59/1182612259.db2.gz KTDTYNSJLWRRFQ-ZIAGYGMSSA-N 0 3 319.836 3.187 20 30 DGEDHN CCCCCCCCCCN1CCN(c2nncn2C)CC1 ZINC001460318750 1182677633 /nfs/dbraw/zinc/67/76/33/1182677633.db2.gz YSCWQUSOTHDLQC-UHFFFAOYSA-N 0 3 307.486 3.078 20 30 DGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC001460362689 1182682727 /nfs/dbraw/zinc/68/27/27/1182682727.db2.gz NUCDMXLHAPGDCL-GJZGRUSLSA-N 0 3 304.409 3.119 20 30 DGEDHN CC1(C)CCC[C@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC001462011931 1182895920 /nfs/dbraw/zinc/89/59/20/1182895920.db2.gz YDSQKZORJQOYTJ-INIZCTEOSA-N 0 3 312.461 3.292 20 30 DGEDHN C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC001462407789 1182949394 /nfs/dbraw/zinc/94/93/94/1182949394.db2.gz WGCLWNNWWSJCOT-DNVCBOLYSA-N 0 3 324.424 3.254 20 30 DGEDHN N#Cc1ccc(CN[C@H]2COc3c(F)cc(F)cc3C2)cc1F ZINC001462654876 1182980376 /nfs/dbraw/zinc/98/03/76/1182980376.db2.gz NIMIQRIDYBRBTL-CQSZACIVSA-N 0 3 318.298 3.069 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001467727526 1183284894 /nfs/dbraw/zinc/28/48/94/1183284894.db2.gz JZTYXEFXUNTTCM-UHFFFAOYSA-N 0 3 313.445 3.365 20 30 DGEDHN C=C1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC001468276586 1183322184 /nfs/dbraw/zinc/32/21/84/1183322184.db2.gz OFPUIRBCFYUQOQ-WMZOPIPTSA-N 0 3 313.445 3.184 20 30 DGEDHN Cc1ccc(C(=O)Nc2ccc(CN(C)C)cc2F)cc1C#N ZINC001468972316 1183374494 /nfs/dbraw/zinc/37/44/94/1183374494.db2.gz UVPDRJRCDHMWGA-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001469315541 1183400364 /nfs/dbraw/zinc/40/03/64/1183400364.db2.gz DELFABUVRVTGCL-SJLPKXTDSA-N 0 3 313.445 3.011 20 30 DGEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001473209623 1183730699 /nfs/dbraw/zinc/73/06/99/1183730699.db2.gz ZZORNLHYMYONRZ-VZDIDWBNSA-N 0 3 319.493 3.428 20 30 DGEDHN C#CCCCCCCN[C@](C)(CC(=O)OC)c1ccccn1 ZINC001473397566 1183752693 /nfs/dbraw/zinc/75/26/93/1183752693.db2.gz LZJAKRDPCXFDCP-GOSISDBHSA-N 0 3 302.418 3.033 20 30 DGEDHN N#CC[C@@H](O)CN1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001473509603 1183766981 /nfs/dbraw/zinc/76/69/81/1183766981.db2.gz PZINBLDNIKHUIY-HZPDHXFCSA-N 0 3 306.837 3.402 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](C4CCCC4)C3)C2=O)cc1 ZINC001473567831 1183774631 /nfs/dbraw/zinc/77/46/31/1183774631.db2.gz ZCGXOJCAZRSTBG-IEBWSBKVSA-N 0 3 323.440 3.176 20 30 DGEDHN C#CC[C@H]1CCCN([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001473581120 1183776652 /nfs/dbraw/zinc/77/66/52/1183776652.db2.gz IJZGKXAETJWKSA-OALUTQOASA-N 0 3 324.468 3.452 20 30 DGEDHN CO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2N(C)C)C12CCC2 ZINC001474525961 1183934689 /nfs/dbraw/zinc/93/46/89/1183934689.db2.gz IJFWCQIGQZLHEU-QZTJIDSGSA-N 0 3 313.445 3.014 20 30 DGEDHN O[C@@H](CNCC#Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001474684431 1183961752 /nfs/dbraw/zinc/96/17/52/1183961752.db2.gz KQFBZCXJFJIEOU-KRWDZBQOSA-N 0 3 319.326 3.380 20 30 DGEDHN C=CCCc1ccccc1NC(=O)NC[C@H]1CCCCN1C ZINC001476483704 1184041512 /nfs/dbraw/zinc/04/15/12/1184041512.db2.gz UCTIGFHOOKLYPD-MRXNPFEDSA-N 0 3 301.434 3.411 20 30 DGEDHN C#CCN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CCCCC1 ZINC001478584825 1184162853 /nfs/dbraw/zinc/16/28/53/1184162853.db2.gz PZTRSIHXMTUSPJ-KRWDZBQOSA-N 0 3 319.493 3.084 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@@H]2CCN2CCCF)CCCCC1 ZINC001479252223 1184219415 /nfs/dbraw/zinc/21/94/15/1184219415.db2.gz LLJYXVASMCAZFC-INIZCTEOSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCCOC)CCCCC1 ZINC001479272109 1184224041 /nfs/dbraw/zinc/22/40/41/1184224041.db2.gz RTMAEDFGHILWOO-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001479344605 1184236794 /nfs/dbraw/zinc/23/67/94/1184236794.db2.gz NTMHUONXJXYMSH-IOASZLSFSA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H]2C=CCCC2)C1 ZINC001479459792 1184255323 /nfs/dbraw/zinc/25/53/23/1184255323.db2.gz HRZNINPNWOCEKU-HRCADAONSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001479488359 1184258616 /nfs/dbraw/zinc/25/86/16/1184258616.db2.gz ASERBQIMBKSYIM-HLLBOEOZSA-N 0 3 320.864 3.417 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cnc(C3CC3)s2)[C@H]1C ZINC001479723996 1184301259 /nfs/dbraw/zinc/30/12/59/1184301259.db2.gz AJSPHVIUPPDCAL-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2cc(C)sc2C)[C@H]1C ZINC001479729563 1184304410 /nfs/dbraw/zinc/30/44/10/1184304410.db2.gz AQTUNXOHAANOLS-PBHICJAKSA-N 0 3 320.502 3.453 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C[C@H](CC)C(C)C)CC(C)(C)C1 ZINC001479748335 1184313337 /nfs/dbraw/zinc/31/33/37/1184313337.db2.gz SPVCVRCUYCSHLW-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN CC(=O)N1CCCC[C@H]1[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001479818353 1184336065 /nfs/dbraw/zinc/33/60/65/1184336065.db2.gz WTUJACZBWXHNDR-KDOFPFPSSA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCN(CCCNC(=O)CC1CCC(C)(C)CC1)C1CC1 ZINC001479880757 1184362174 /nfs/dbraw/zinc/36/21/74/1184362174.db2.gz JEMQTIKSYYMSOP-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(CCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C)C1CC1 ZINC001479877599 1184362658 /nfs/dbraw/zinc/36/26/58/1184362658.db2.gz VSTFLIHUEGZZEV-KXBFYZLASA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN(CCCNC(=O)C1(c2ccccc2C)CCC1)C1CC1 ZINC001479879080 1184363444 /nfs/dbraw/zinc/36/34/44/1184363444.db2.gz BPKSGJSPRGDREU-UHFFFAOYSA-N 0 3 324.468 3.021 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001479910424 1184376431 /nfs/dbraw/zinc/37/64/31/1184376431.db2.gz WODLLPSOKUJZMK-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001479909397 1184377048 /nfs/dbraw/zinc/37/70/48/1184377048.db2.gz WNCOTBGTIGNGKN-SFHVURJKSA-N 0 3 302.462 3.261 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001479962906 1184396279 /nfs/dbraw/zinc/39/62/79/1184396279.db2.gz DXZCFAIJVIVRSW-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001479988400 1184404927 /nfs/dbraw/zinc/40/49/27/1184404927.db2.gz PIVHJXQIABCGOB-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C ZINC001480101681 1184435892 /nfs/dbraw/zinc/43/58/92/1184435892.db2.gz SNVKUFXSTBHSFW-ZJPYXAASSA-N 0 3 322.493 3.057 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001480143463 1184443947 /nfs/dbraw/zinc/44/39/47/1184443947.db2.gz ZMGLXBIXPMPFHP-SHTZXODSSA-N 0 3 308.372 3.058 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001480318440 1184490373 /nfs/dbraw/zinc/49/03/73/1184490373.db2.gz ICHHQLCTMABXLF-LIXSYLKWSA-N 0 3 312.457 3.332 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001480327421 1184494653 /nfs/dbraw/zinc/49/46/53/1184494653.db2.gz FHIYDPUEMKGAIM-SJLPKXTDSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001480333175 1184495482 /nfs/dbraw/zinc/49/54/82/1184495482.db2.gz WGBCROCZBMQRKM-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC[C@H](F)CC)cc1 ZINC001480357750 1184504640 /nfs/dbraw/zinc/50/46/40/1184504640.db2.gz YEZROVPSHGHGDS-MSOLQXFVSA-N 0 3 316.420 3.000 20 30 DGEDHN C=CC1(CC(=O)N2CCCC[C@H]2CNCCF)CCCCC1 ZINC001480363104 1184505311 /nfs/dbraw/zinc/50/53/11/1184505311.db2.gz NJARYDYTVJVHGT-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(C(C)C)nc1C ZINC001480469543 1184534133 /nfs/dbraw/zinc/53/41/33/1184534133.db2.gz SXVSOZCAOJHGHM-HNNXBMFYSA-N 0 3 317.477 3.464 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H]2C[C@H]2CC)cc1 ZINC001480713591 1184584768 /nfs/dbraw/zinc/58/47/68/1184584768.db2.gz FEEPWZOZJORQIX-IAGOWNOFSA-N 0 3 320.864 3.234 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)sc1C ZINC001480776779 1184604276 /nfs/dbraw/zinc/60/42/76/1184604276.db2.gz RFHWBMSIGGQPAA-SNVBAGLBSA-N 0 3 300.855 3.215 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cccc(C2CCCC2)c1 ZINC001493326027 1184687320 /nfs/dbraw/zinc/68/73/20/1184687320.db2.gz XGVXFMPBLZGHIF-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(C(C)C)no1)c1ccccc1 ZINC001493898900 1184760650 /nfs/dbraw/zinc/76/06/50/1184760650.db2.gz MIVJHUNXLBKYJQ-MRXNPFEDSA-N 0 3 313.401 3.045 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1=CCCCC1 ZINC001493913175 1184763704 /nfs/dbraw/zinc/76/37/04/1184763704.db2.gz GISVKTAVBKTOQU-KDURUIRLSA-N 0 3 314.473 3.212 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C)c1ccccc1 ZINC001493928913 1184765556 /nfs/dbraw/zinc/76/55/56/1184765556.db2.gz OXJJCIORRUAFEJ-CEXWTWQISA-N 0 3 312.457 3.430 20 30 DGEDHN C=CCCCC(=O)N(CCC)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001493959956 1184776746 /nfs/dbraw/zinc/77/67/46/1184776746.db2.gz JKNUOCMOLRTQJL-ROUUACIJSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CCc2ccc(Cl)cc2)C1 ZINC001494578945 1184889088 /nfs/dbraw/zinc/88/90/88/1184889088.db2.gz DUDBHEBPAFBZMZ-UHFFFAOYSA-N 0 3 320.864 3.143 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001494667870 1184901956 /nfs/dbraw/zinc/90/19/56/1184901956.db2.gz WLQIAGPIDQINDA-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc21 ZINC001494666426 1184902418 /nfs/dbraw/zinc/90/24/18/1184902418.db2.gz HRTBLZSPDPZXPD-BJLQDIEVSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001494696672 1184907698 /nfs/dbraw/zinc/90/76/98/1184907698.db2.gz QYJQUXRFAWNLFY-IBGZPJMESA-N 0 3 308.425 3.497 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001494751253 1184921280 /nfs/dbraw/zinc/92/12/80/1184921280.db2.gz OZPBXXURHWAEEM-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001494853519 1184944843 /nfs/dbraw/zinc/94/48/43/1184944843.db2.gz FPDRDZVMDBTLLT-APWZRJJASA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001494853522 1184945325 /nfs/dbraw/zinc/94/53/25/1184945325.db2.gz FPDRDZVMDBTLLT-QFBILLFUSA-N 0 3 314.473 3.461 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494913824 1184960740 /nfs/dbraw/zinc/96/07/40/1184960740.db2.gz PKFVGLWGSHLZGT-DLBZAZTESA-N 0 3 306.494 3.395 20 30 DGEDHN CCC(CC)C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001494943436 1184968124 /nfs/dbraw/zinc/96/81/24/1184968124.db2.gz RTUKXPKVYGXSHF-GOSISDBHSA-N 0 3 318.436 3.098 20 30 DGEDHN C/C=C(/C)C(=O)NC[C@@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001494962494 1184970883 /nfs/dbraw/zinc/97/08/83/1184970883.db2.gz VLHWTAMKVSPXPF-ZGKREOHOSA-N 0 3 318.848 3.142 20 30 DGEDHN C/C=C(/C)C(=O)NC[C@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001494962492 1184971393 /nfs/dbraw/zinc/97/13/93/1184971393.db2.gz VLHWTAMKVSPXPF-SHDIAVBESA-N 0 3 318.848 3.142 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001494971214 1184973340 /nfs/dbraw/zinc/97/33/40/1184973340.db2.gz RBRNOPMMUSFYGL-YJBOKZPZSA-N 0 3 318.436 3.098 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(CNCC(=C)Cl)CCCC[C@@H]1C ZINC001495321932 1185029698 /nfs/dbraw/zinc/02/96/98/1185029698.db2.gz CUIJGKOPHUAVEA-WMLDXEAASA-N 0 3 310.869 3.197 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001495339100 1185033785 /nfs/dbraw/zinc/03/37/85/1185033785.db2.gz DERMBNSHMZDUCF-HOTGVXAUSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC[C@H](C)CC)cc1 ZINC001495496064 1185064606 /nfs/dbraw/zinc/06/46/06/1185064606.db2.gz KENLLXFMVSIEPJ-MRXNPFEDSA-N 0 3 300.446 3.242 20 30 DGEDHN CC(C)(C)/C=C/C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001495549298 1185072762 /nfs/dbraw/zinc/07/27/62/1185072762.db2.gz WGXZXXVOYBPNAK-JKIKYLSZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1cccs1)C(C)C ZINC001496634492 1185224274 /nfs/dbraw/zinc/22/42/74/1185224274.db2.gz BSLJFLXIRKTMNE-CQSZACIVSA-N 0 3 314.882 3.164 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN(C)Cc2ccccc2C)cc1 ZINC001496756325 1185241765 /nfs/dbraw/zinc/24/17/65/1185241765.db2.gz AANZSDWXYUZJAL-UHFFFAOYSA-N 0 3 320.436 3.180 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1sc(Cl)nc1Cl ZINC001496838701 1185256535 /nfs/dbraw/zinc/25/65/35/1185256535.db2.gz XWYUVPNEDQJONE-UHFFFAOYSA-N 0 3 322.261 3.030 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1c(C)cc(C)cc1C ZINC001497259204 1185305395 /nfs/dbraw/zinc/30/53/95/1185305395.db2.gz FNILHWOPHPQXHD-MRXNPFEDSA-N 0 3 322.880 3.391 20 30 DGEDHN C[C@]1(C(=O)NC/C=C\CNCc2ccc(C#N)cc2)CC=CCC1 ZINC001497591086 1185359593 /nfs/dbraw/zinc/35/95/93/1185359593.db2.gz TXHUKJIMSKXBAM-PRPIBZDOSA-N 0 3 323.440 3.067 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001497950352 1185413103 /nfs/dbraw/zinc/41/31/03/1185413103.db2.gz GHPDIHXIEOKLDD-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@@H](CN(C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)C#CC1CC1 ZINC001498277123 1185463189 /nfs/dbraw/zinc/46/31/89/1185463189.db2.gz PMJFVLKPXXTKPR-KBPBESRZSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1Cl ZINC001498399611 1185488241 /nfs/dbraw/zinc/48/82/41/1185488241.db2.gz MYWASRBAKMKXLX-ZIAGYGMSSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001498399610 1185488696 /nfs/dbraw/zinc/48/86/96/1185488696.db2.gz MYWASRBAKMKXLX-UONOGXRCSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1oc2ccccc2c1CC ZINC001498463934 1185501706 /nfs/dbraw/zinc/50/17/06/1185501706.db2.gz GDNHKGPQGUEWHT-ZDUSSCGKSA-N 0 3 300.402 3.231 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001499036301 1185595861 /nfs/dbraw/zinc/59/58/61/1185595861.db2.gz BVZXCQPQNHMQSY-WMZOPIPTSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CCN2C[C@H](CC)OC)CCCCC1 ZINC001499081231 1185607359 /nfs/dbraw/zinc/60/73/59/1185607359.db2.gz WPNVSFRHNLVLPL-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCN1CC1CC1)c1ccccc1 ZINC001499139655 1185618454 /nfs/dbraw/zinc/61/84/54/1185618454.db2.gz ZWIQBIGQCKHDSO-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001499338756 1185639333 /nfs/dbraw/zinc/63/93/33/1185639333.db2.gz BXOVWGWQDPVEDC-KRWDZBQOSA-N 0 3 304.409 3.166 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001499480494 1185654929 /nfs/dbraw/zinc/65/49/29/1185654929.db2.gz HHEWTCLIFFTRJF-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001499604331 1185675919 /nfs/dbraw/zinc/67/59/19/1185675919.db2.gz TWFBOVACFFWXRL-YJBOKZPZSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CC/C=C\c3ccccc3)C2)C1 ZINC001499610643 1185677294 /nfs/dbraw/zinc/67/72/94/1185677294.db2.gz RAFWPOIBTSFXOS-PNWMKBJFSA-N 0 3 322.452 3.038 20 30 DGEDHN C#CCN(C(=O)c1c(C)coc1C)C1CCN(CC(=C)C)CC1 ZINC001500034643 1185732866 /nfs/dbraw/zinc/73/28/66/1185732866.db2.gz SSZFUKLMSSKCSN-UHFFFAOYSA-N 0 3 314.429 3.012 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCCC1(C)C)C1CCN(CC=C)CC1 ZINC001500060066 1185736187 /nfs/dbraw/zinc/73/61/87/1185736187.db2.gz LOQGMNXIGKAFLE-SFHVURJKSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001500501793 1185808216 /nfs/dbraw/zinc/80/82/16/1185808216.db2.gz GXTKCQXQKWCJDI-GOSISDBHSA-N 0 3 322.399 3.291 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(CC)s2)C1 ZINC001500508568 1185810475 /nfs/dbraw/zinc/81/04/75/1185810475.db2.gz KBDZUZIGVALZLS-GOSISDBHSA-N 0 3 318.486 3.166 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001500538043 1185818081 /nfs/dbraw/zinc/81/80/81/1185818081.db2.gz NZRQPKCKXKONJJ-SVFBPWRDSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001500547099 1185820659 /nfs/dbraw/zinc/82/06/59/1185820659.db2.gz OAUWYBRACVBNTF-IBGZPJMESA-N 0 3 300.446 3.321 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001500613503 1185828524 /nfs/dbraw/zinc/82/85/24/1185828524.db2.gz JCNDXGOZTCJTBO-ZIAGYGMSSA-N 0 3 302.409 3.072 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1CC ZINC001501019589 1185857011 /nfs/dbraw/zinc/85/70/11/1185857011.db2.gz SAQXENYLNVPXBT-KSSFIOAISA-N 0 3 300.446 3.228 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1c(C)coc1C ZINC001501193410 1185881482 /nfs/dbraw/zinc/88/14/82/1185881482.db2.gz BZDNRHXQZBEJAW-UHFFFAOYSA-N 0 3 324.424 3.152 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCc1ccccc1 ZINC001501396218 1185899530 /nfs/dbraw/zinc/89/95/30/1185899530.db2.gz UINMONRPZCBRCC-PMACEKPBSA-N 0 3 324.468 3.098 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001501632152 1185914530 /nfs/dbraw/zinc/91/45/30/1185914530.db2.gz LRIWARVQWWCFAX-DZGCQCFKSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2c(C)cccc2F)C1 ZINC001501655388 1185918101 /nfs/dbraw/zinc/91/81/01/1185918101.db2.gz RRYUUJWAEQNGIA-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C3(CCC)CC3)cccc2C1 ZINC001501853611 1185932115 /nfs/dbraw/zinc/93/21/15/1185932115.db2.gz BAYMRGARMCEPGG-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN(Cc2ccsc2)CC1 ZINC001502122108 1185956870 /nfs/dbraw/zinc/95/68/70/1185956870.db2.gz YJURDIDXCWZHQM-INIZCTEOSA-N 0 3 318.486 3.268 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C2(CC=C)CCCCC2)CC1 ZINC001502147198 1185962808 /nfs/dbraw/zinc/96/28/08/1185962808.db2.gz DNTJCBVCBWHFLH-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CCC)CCC1)C2 ZINC001502545622 1185995078 /nfs/dbraw/zinc/99/50/78/1185995078.db2.gz DPYJJSBYSQWUIQ-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)C[C@@H]1C ZINC001503024451 1186036264 /nfs/dbraw/zinc/03/62/64/1186036264.db2.gz YGWXYDFGBZYTKQ-WMZOPIPTSA-N 0 3 306.494 3.297 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)SC ZINC001505413935 1186071141 /nfs/dbraw/zinc/07/11/41/1186071141.db2.gz VORDVXNGVXKFKZ-MZMPZRCHSA-N 0 3 318.486 3.076 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2scnc2c1 ZINC001505452277 1186085744 /nfs/dbraw/zinc/08/57/44/1186085744.db2.gz DTEMUVNNXVTBCF-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001505537971 1186099341 /nfs/dbraw/zinc/09/93/41/1186099341.db2.gz RBRNOHMLXOWODU-QIWHZVNUSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCOC1CCCCCC1 ZINC001505979644 1186173893 /nfs/dbraw/zinc/17/38/93/1186173893.db2.gz ZNUVELRRQPJBFS-INIZCTEOSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccc(F)cc2)C(C)(C)C1 ZINC001506749008 1186286165 /nfs/dbraw/zinc/28/61/65/1186286165.db2.gz XCONCKFPQGRAKI-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(F)c(F)c1 ZINC001506924136 1186313972 /nfs/dbraw/zinc/31/39/72/1186313972.db2.gz MDUBJRKAEKFCAF-LLVKDONJSA-N 0 3 316.779 3.205 20 30 DGEDHN CCC1(C(=O)N[C@H](C)CCCNCc2ccccc2C#N)CC1 ZINC001506944239 1186319535 /nfs/dbraw/zinc/31/95/35/1186319535.db2.gz QLPDZGFGKXMMEH-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1cc(F)ccc1F)C1CC1 ZINC001507003511 1186338969 /nfs/dbraw/zinc/33/89/69/1186338969.db2.gz VLQPGBVLARBERU-KRWDZBQOSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001507024176 1186342521 /nfs/dbraw/zinc/34/25/21/1186342521.db2.gz HFXBBASRMSQRHA-KRWDZBQOSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001507076479 1186355801 /nfs/dbraw/zinc/35/58/01/1186355801.db2.gz JWJRAQQSRGSKNB-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001507148628 1186372693 /nfs/dbraw/zinc/37/26/93/1186372693.db2.gz SDEKKPPMXCDNKQ-NSHDSACASA-N 0 3 313.228 3.067 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(CCC)c(C)s1 ZINC001507156108 1186374594 /nfs/dbraw/zinc/37/45/94/1186374594.db2.gz YKZNRUCJJDOIMC-ZDUSSCGKSA-N 0 3 306.475 3.082 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001507317575 1186388558 /nfs/dbraw/zinc/38/85/58/1186388558.db2.gz MBMQNLLEGXKDEV-CHWSQXEVSA-N 0 3 322.811 3.003 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCCN1Cc1ccccc1 ZINC001507376689 1186408441 /nfs/dbraw/zinc/40/84/41/1186408441.db2.gz LDXNODBWIHGZDD-SJLPKXTDSA-N 0 3 312.457 3.205 20 30 DGEDHN Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C#CC3CC3)[C@@H]2C)c1 ZINC001507376481 1186409034 /nfs/dbraw/zinc/40/90/34/1186409034.db2.gz KMFLFWYETWGQTQ-PXNSSMCTSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2cnc(C)s2)C(C)(C)C1 ZINC001507445020 1186431433 /nfs/dbraw/zinc/43/14/33/1186431433.db2.gz ZQNOIZKTFKRPGY-OAHLLOKOSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](NCc2cncs2)C(C)(C)C1 ZINC001507447399 1186431647 /nfs/dbraw/zinc/43/16/47/1186431647.db2.gz PLWHWWZYNCDVRE-AWEZNQCLSA-N 0 3 321.490 3.072 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(Cl)c(C)c1)C(C)C ZINC001507831427 1186447032 /nfs/dbraw/zinc/44/70/32/1186447032.db2.gz MRDKGSKVWSTXOM-UHFFFAOYSA-N 0 3 320.864 3.454 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC001507855700 1186450663 /nfs/dbraw/zinc/45/06/63/1186450663.db2.gz SKSPSEVZGLBVEC-QZTJIDSGSA-N 0 3 324.509 3.183 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)C(C)C ZINC001507850200 1186451043 /nfs/dbraw/zinc/45/10/43/1186451043.db2.gz ZHVJTRGNGNBUBT-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(CC)CC)CC[C@H]1C(F)(F)F ZINC001508084371 1186478668 /nfs/dbraw/zinc/47/86/68/1186478668.db2.gz HENKKLNADAFAQJ-ZIAGYGMSSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(C)=C(C)C)CC[C@H]1C(F)(F)F ZINC001508084498 1186479227 /nfs/dbraw/zinc/47/92/27/1186479227.db2.gz HYMWTQUZVZJKDM-KGLIPLIRSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC001508223824 1186490374 /nfs/dbraw/zinc/49/03/74/1186490374.db2.gz HDLISAVFEUPDNP-OAHLLOKOSA-N 0 3 316.420 3.254 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001514986589 1186740303 /nfs/dbraw/zinc/74/03/03/1186740303.db2.gz KJYXZENXYZIRHJ-HMYIPDOQSA-N 0 3 300.383 3.144 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@H]1CCCC1(F)F ZINC001517047443 1186800843 /nfs/dbraw/zinc/80/08/43/1186800843.db2.gz VHEYDMOXRIMJRV-RKDXNWHRSA-N 0 3 301.724 3.075 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCC(F)(F)CC1 ZINC001517047462 1186800913 /nfs/dbraw/zinc/80/09/13/1186800913.db2.gz WBAMZYWIMGSCHG-SECBINFHSA-N 0 3 301.724 3.075 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCc1cccc(F)c1 ZINC001520035649 1186911963 /nfs/dbraw/zinc/91/19/63/1186911963.db2.gz FGVMGIWVOMCZMI-CJNGLKHVSA-N 0 3 313.376 3.487 20 30 DGEDHN CCC[C@@H]1C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001520449888 1186945720 /nfs/dbraw/zinc/94/57/20/1186945720.db2.gz WTMDCXJNZFZQEZ-UHTWSYAYSA-N 0 3 308.328 3.131 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC001521339901 1187015680 /nfs/dbraw/zinc/01/56/80/1187015680.db2.gz KCHHTMCBJLIRQI-OAHLLOKOSA-N 0 3 304.459 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC001521647811 1187036042 /nfs/dbraw/zinc/03/60/42/1187036042.db2.gz VGQRIWLLKJRFKS-KRWDZBQOSA-N 0 3 304.434 3.116 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC001521995404 1187059863 /nfs/dbraw/zinc/05/98/63/1187059863.db2.gz VNSUYZWJEVXJSC-JKSUJKDBSA-N 0 3 320.408 3.181 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC001522731248 1187098697 /nfs/dbraw/zinc/09/86/97/1187098697.db2.gz AUKUALGOLAMFIW-INIZCTEOSA-N 0 3 318.461 3.188 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001656109043 1196004269 /nfs/dbraw/zinc/00/42/69/1196004269.db2.gz DCSAHDNCWVLXQD-MRXNPFEDSA-N 0 3 305.466 3.440 20 30 DGEDHN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703122 1187262528 /nfs/dbraw/zinc/26/25/28/1187262528.db2.gz AGTXJTFJDFSDBB-YXVBKTCISA-N 0 3 318.311 3.054 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccccc1C ZINC001526595427 1187377365 /nfs/dbraw/zinc/37/73/65/1187377365.db2.gz ZWRLSFVPCJJBPO-OAHLLOKOSA-N 0 3 311.385 3.247 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC001526593656 1187377744 /nfs/dbraw/zinc/37/77/44/1187377744.db2.gz IEEUNGJIEPXEKK-VQIMIIECSA-N 0 3 307.397 3.274 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCCOCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001526620552 1187379621 /nfs/dbraw/zinc/37/96/21/1187379621.db2.gz MJGHKLHYBFOSRN-MNOVXSKESA-N 0 3 317.776 3.209 20 30 DGEDHN CC(C)C[C@H](C)OCCC(=O)C(C#N)c1ncc(F)cc1F ZINC001527021035 1187406720 /nfs/dbraw/zinc/40/67/20/1187406720.db2.gz XWJAXCKVDGEUEV-WCQYABFASA-N 0 3 310.344 3.377 20 30 DGEDHN C=C[C@H](C(=O)N(CCN(C)C)Cc1ccco1)c1ccccc1 ZINC001528018274 1187463373 /nfs/dbraw/zinc/46/33/73/1187463373.db2.gz ZXLMNVRQVNOTGX-SFHVURJKSA-N 0 3 312.413 3.140 20 30 DGEDHN CCCCCCCC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC001532414113 1187753660 /nfs/dbraw/zinc/75/36/60/1187753660.db2.gz SOFLFGMKRZRUSA-KRWDZBQOSA-N 0 3 324.509 3.449 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC001539244600 1188183228 /nfs/dbraw/zinc/18/32/28/1188183228.db2.gz WHJMJPFPPMAHMN-VQTJNVASSA-N 0 3 322.452 3.245 20 30 DGEDHN N#Cc1cccc(CNC(=O)c2ccc(NC3=NCCC3)cc2)c1 ZINC001543514168 1188338683 /nfs/dbraw/zinc/33/86/83/1188338683.db2.gz RJODYAABMMVIJT-UHFFFAOYSA-N 0 3 318.380 3.092 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001548676399 1188461691 /nfs/dbraw/zinc/46/16/91/1188461691.db2.gz CWPZCZOHMXUSPJ-XUVXKRRUSA-N 0 3 320.436 3.170 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc(C(C)C)s1 ZINC001567241806 1188978893 /nfs/dbraw/zinc/97/88/93/1188978893.db2.gz MQBHIQGRYRWHLZ-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001556214685 1188990339 /nfs/dbraw/zinc/99/03/39/1188990339.db2.gz YOPVNPWUSDRLSK-CALCHBBNSA-N 0 3 316.445 3.396 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001556466683 1189002976 /nfs/dbraw/zinc/00/29/76/1189002976.db2.gz IMLKYXFBJZODSP-ZWKOTPCHSA-N 0 3 318.436 3.286 20 30 DGEDHN C#CCN(Cc1ccccc1)C(=O)CN(C)CCCCCC ZINC001556531935 1189006124 /nfs/dbraw/zinc/00/61/24/1189006124.db2.gz DZTCTDKTPHOYEO-UHFFFAOYSA-N 0 3 300.446 3.161 20 30 DGEDHN CC[C@H](F)CN1CC[C@H](NC(=O)C#CC(C)C)CC(C)(C)C1 ZINC001657095568 1196104113 /nfs/dbraw/zinc/10/41/13/1196104113.db2.gz DNXLYFXVIUMIEB-HOTGVXAUSA-N 0 3 310.457 3.001 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(Cc2cncc(C#N)c2)CC1 ZINC001559567949 1189217780 /nfs/dbraw/zinc/21/77/80/1189217780.db2.gz NLSMHWMYZAJTOG-HXUWFJFHSA-N 0 3 320.440 3.222 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1noc2c1CC(C)(C)CC2 ZINC001559797523 1189242617 /nfs/dbraw/zinc/24/26/17/1189242617.db2.gz SOHCTHJLXCAKNP-UHFFFAOYSA-N 0 3 305.466 3.129 20 30 DGEDHN C[C@H](CN1CCN(c2cnccc2C#N)CC1)CC(C)(C)C ZINC001559872662 1189252169 /nfs/dbraw/zinc/25/21/69/1189252169.db2.gz ARBYUGLWOPQPHQ-HNNXBMFYSA-N 0 3 300.450 3.148 20 30 DGEDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2ccc(C#N)cc2)C1 ZINC001559918199 1189256887 /nfs/dbraw/zinc/25/68/87/1189256887.db2.gz DFXHGMPOCUPHHM-YOEHRIQHSA-N 0 3 314.429 3.358 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC001559939057 1189259465 /nfs/dbraw/zinc/25/94/65/1189259465.db2.gz FXQDECFBFDWRAI-CRAIPNDOSA-N 0 3 314.404 3.056 20 30 DGEDHN COCC#CCN1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC001560061875 1189273531 /nfs/dbraw/zinc/27/35/31/1189273531.db2.gz WFEIQBHDXDSAII-HIFRSBDPSA-N 0 3 322.246 3.277 20 30 DGEDHN CCC1(CC)CCCN1Cc1cccc(C(=O)OC)c1C#N ZINC001560120418 1189281264 /nfs/dbraw/zinc/28/12/64/1189281264.db2.gz WCSKPXQRNKVHBO-UHFFFAOYSA-N 0 3 300.402 3.499 20 30 DGEDHN Fc1ccc(C#CCN2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001560135226 1189282471 /nfs/dbraw/zinc/28/24/71/1189282471.db2.gz HECZMEWUISFBJQ-PZJWPPBQSA-N 0 3 321.395 3.077 20 30 DGEDHN C#CC[C@@H]1CCN([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001560136369 1189282828 /nfs/dbraw/zinc/28/28/28/1189282828.db2.gz REIXDHXCIFQWLW-MSOLQXFVSA-N 0 3 310.441 3.062 20 30 DGEDHN C#CC[C@H]1CCN([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001560136371 1189283212 /nfs/dbraw/zinc/28/32/12/1189283212.db2.gz REIXDHXCIFQWLW-ROUUACIJSA-N 0 3 310.441 3.062 20 30 DGEDHN C=CCSCCNCc1cc(OC)c(OC)cc1Cl ZINC001560435205 1189328649 /nfs/dbraw/zinc/32/86/49/1189328649.db2.gz BAZZSEKGGPIWLP-UHFFFAOYSA-N 0 3 301.839 3.366 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1cccnc1C ZINC001560612301 1189348101 /nfs/dbraw/zinc/34/81/01/1189348101.db2.gz GWIBUUGULCIXTO-UHFFFAOYSA-N 0 3 314.816 3.388 20 30 DGEDHN Cc1csc(N2CCC(NCC3(C#N)CCCC3)CC2)n1 ZINC001560617029 1189348967 /nfs/dbraw/zinc/34/89/67/1189348967.db2.gz YIFNTPPLMNVQLP-UHFFFAOYSA-N 0 3 304.463 3.094 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001560902585 1189403412 /nfs/dbraw/zinc/40/34/12/1189403412.db2.gz FMVCFKASLWBNCG-MAUKXSAKSA-N 0 3 313.441 3.468 20 30 DGEDHN CCc1cc(OC)ccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC001561027861 1189422243 /nfs/dbraw/zinc/42/22/43/1189422243.db2.gz SCABSKWGFSCQGJ-UHFFFAOYSA-N 0 3 315.413 3.095 20 30 DGEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001563853368 1189538576 /nfs/dbraw/zinc/53/85/76/1189538576.db2.gz AVPXTDZZTQYQJN-IRXDYDNUSA-N 0 3 321.509 3.093 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC001565126869 1189624016 /nfs/dbraw/zinc/62/40/16/1189624016.db2.gz FDCIAKASWWUFQP-UHFFFAOYSA-N 0 3 323.506 3.424 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccccc2)C1 ZINC001565503925 1189654007 /nfs/dbraw/zinc/65/40/07/1189654007.db2.gz JGHYIWCRBSQJRK-OALUTQOASA-N 0 3 310.441 3.027 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001565829459 1189680010 /nfs/dbraw/zinc/68/00/10/1189680010.db2.gz GWUXIWQYOHRWDL-CABCVRRESA-N 0 3 319.449 3.299 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)(C)C3CC3)C(C)(C)[C@@H]21 ZINC001565994871 1189711335 /nfs/dbraw/zinc/71/13/35/1189711335.db2.gz LKNJNNBLQSGBDV-KBAYOESNSA-N 0 3 316.489 3.051 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)[C@H]1C ZINC001566117326 1189737910 /nfs/dbraw/zinc/73/79/10/1189737910.db2.gz MFHSHSFGAWCAGX-RKVPGOIHSA-N 0 3 318.436 3.159 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(Cl)ccc1Cl ZINC001566512306 1189787403 /nfs/dbraw/zinc/78/74/03/1189787403.db2.gz NFKHLQZODWHACW-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001566525297 1189791043 /nfs/dbraw/zinc/79/10/43/1189791043.db2.gz ULQHNAZWWOUBKL-PKOBYXMFSA-N 0 3 312.457 3.197 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC(F)(F)F ZINC001566526432 1189791614 /nfs/dbraw/zinc/79/16/14/1189791614.db2.gz SXECDGYJMOAWPI-QWRGUYRKSA-N 0 3 312.763 3.051 20 30 DGEDHN C#CCN(CCCNC(=O)CCC1CCCCCC1)C1CC1 ZINC001566592632 1189812479 /nfs/dbraw/zinc/81/24/79/1189812479.db2.gz WMKCXKVRRSMKBA-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN CC#CCN(CCCNC(=O)C(C)(C)CC(C)(C)C)C1CC1 ZINC001566604308 1189818545 /nfs/dbraw/zinc/81/85/45/1189818545.db2.gz VGYAHHLLWHPKFZ-UHFFFAOYSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(CCCNC(=O)c1oc2c(cccc2C)c1C)C1CC1 ZINC001566603865 1189818760 /nfs/dbraw/zinc/81/87/60/1189818760.db2.gz GNJSCRYXXDFVPD-UHFFFAOYSA-N 0 3 324.424 3.267 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001566622287 1189829331 /nfs/dbraw/zinc/82/93/31/1189829331.db2.gz UDODNNDAGVAIEO-RTBURBONSA-N 0 3 310.441 3.132 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001566622285 1189830181 /nfs/dbraw/zinc/83/01/81/1189830181.db2.gz UDODNNDAGVAIEO-OALUTQOASA-N 0 3 310.441 3.132 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001566622286 1189830906 /nfs/dbraw/zinc/83/09/06/1189830906.db2.gz UDODNNDAGVAIEO-RBUKOAKNSA-N 0 3 310.441 3.132 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001566671415 1189851987 /nfs/dbraw/zinc/85/19/87/1189851987.db2.gz VWYXVUUTPUOVSU-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(F)cc(F)c2)CC1 ZINC001566699799 1189864306 /nfs/dbraw/zinc/86/43/06/1189864306.db2.gz RCMMNWJQIIKUQE-UHFFFAOYSA-N 0 3 322.399 3.467 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)CCC1 ZINC001566802811 1189906800 /nfs/dbraw/zinc/90/68/00/1189906800.db2.gz FRLSYRMKJZUIOU-WKILWMFISA-N 0 3 316.420 3.309 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001566820295 1189913795 /nfs/dbraw/zinc/91/37/95/1189913795.db2.gz LWWSLZAKBXFSOZ-BHNRIFPKSA-N 0 3 310.869 3.453 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001566945863 1189962787 /nfs/dbraw/zinc/96/27/87/1189962787.db2.gz VSSIABAAZILLFC-LSDHHAIUSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566963512 1189973350 /nfs/dbraw/zinc/97/33/50/1189973350.db2.gz VLRFGNUNZGMGMJ-IRXDYDNUSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C3CCC3)CCC2)C1 ZINC001566963430 1189973432 /nfs/dbraw/zinc/97/34/32/1189973432.db2.gz UOSFJRMJZDHCBI-DLBZAZTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)C2=CCCC2)cc1 ZINC001567181771 1190054168 /nfs/dbraw/zinc/05/41/68/1190054168.db2.gz RGCBLPOIKZZAEO-UHFFFAOYSA-N 0 3 318.848 3.298 20 30 DGEDHN CC[C@@H](C)CC(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001567214582 1190075643 /nfs/dbraw/zinc/07/56/43/1190075643.db2.gz WNMSYJPHBGAALZ-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN CCCC1(C(=O)NCC[C@H](C)NCc2ccccc2C#N)CC1 ZINC001567228621 1190081010 /nfs/dbraw/zinc/08/10/10/1190081010.db2.gz DBWJPCVWDVFLKA-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC=CCC1 ZINC001567245374 1190088924 /nfs/dbraw/zinc/08/89/24/1190088924.db2.gz YKCNGRRJAZQYJQ-HOTGVXAUSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cccc(C)n1 ZINC001567243790 1190089352 /nfs/dbraw/zinc/08/93/52/1190089352.db2.gz AUHZDKQIRGBOIB-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001567367131 1190155401 /nfs/dbraw/zinc/15/54/01/1190155401.db2.gz VNXRNYBRJVWMPA-WMZOPIPTSA-N 0 3 316.420 3.360 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1ccc(C)cc1)C1CC1 ZINC001567444169 1190196371 /nfs/dbraw/zinc/19/63/71/1190196371.db2.gz HZPWNEOAZKVTMO-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)c1ccccc1F)C1CC1 ZINC001567451149 1190201392 /nfs/dbraw/zinc/20/13/92/1190201392.db2.gz FROTWOJJNSLYMC-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C)(C)CC(F)(F)F)C1CC1 ZINC001567452710 1190202241 /nfs/dbraw/zinc/20/22/41/1190202241.db2.gz XHWBJAYSHNKGEK-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2cccc(Cl)c2o1)C1CC1 ZINC001567455473 1190203813 /nfs/dbraw/zinc/20/38/13/1190203813.db2.gz CIGLCAGBGSUMSX-UHFFFAOYSA-N 0 3 318.804 3.466 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1occc1Cl)c1ccccc1 ZINC001567664178 1190241795 /nfs/dbraw/zinc/24/17/95/1190241795.db2.gz VUDUZDCOSPNTQR-CQSZACIVSA-N 0 3 304.777 3.180 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC001567662861 1190241822 /nfs/dbraw/zinc/24/18/22/1190241822.db2.gz KBQBLDGIJDTPTA-ROUUACIJSA-N 0 3 312.457 3.283 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC(C)C ZINC001567672173 1190244041 /nfs/dbraw/zinc/24/40/41/1190244041.db2.gz VNPFZCCRADMDDM-CALCHBBNSA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C2CCCCCC2)C1 ZINC001567682107 1190250039 /nfs/dbraw/zinc/25/00/39/1190250039.db2.gz XVVCKCBAYIVHCD-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2sccc2OC)C1 ZINC001567688337 1190253410 /nfs/dbraw/zinc/25/34/10/1190253410.db2.gz HJFRTQBHOYSWOU-CQSZACIVSA-N 0 3 322.474 3.259 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001567692643 1190256583 /nfs/dbraw/zinc/25/65/83/1190256583.db2.gz DXSYBIIEEDHSKD-WXJALIKYSA-N 0 3 316.489 3.168 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001567736998 1190280613 /nfs/dbraw/zinc/28/06/13/1190280613.db2.gz ZPXIDIVERACGFL-JXMNSVBMSA-N 0 3 310.869 3.103 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001567842859 1190318268 /nfs/dbraw/zinc/31/82/68/1190318268.db2.gz SHBDKCAEZTVCCW-SFHVURJKSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)C2 ZINC001567858438 1190324040 /nfs/dbraw/zinc/32/40/40/1190324040.db2.gz JKLDYGAECLTBKZ-AFRNSKEISA-N 0 3 302.462 3.207 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N2CC[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001567873319 1190330287 /nfs/dbraw/zinc/33/02/87/1190330287.db2.gz VCYOIFMDAFDHQY-ROUUACIJSA-N 0 3 312.457 3.214 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001567890997 1190337521 /nfs/dbraw/zinc/33/75/21/1190337521.db2.gz CMSDDOGOKDJQSX-GFCCVEGCSA-N 0 3 312.360 3.296 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cccc(C)c2)C1 ZINC001567942577 1190367559 /nfs/dbraw/zinc/36/75/59/1190367559.db2.gz PXDFEUBHCNLRNT-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001567941626 1190368020 /nfs/dbraw/zinc/36/80/20/1190368020.db2.gz FBZZASRALXIGSJ-CVEARBPZSA-N 0 3 304.434 3.190 20 30 DGEDHN CC[C@H](CNC(=O)C1(C)CCCC1)NCc1ccc(C#N)s1 ZINC001567970742 1190381422 /nfs/dbraw/zinc/38/14/22/1190381422.db2.gz PSHDKYYVAQPBNJ-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2cncs2)CCCC[C@@H]1C ZINC001568037551 1190406229 /nfs/dbraw/zinc/40/62/29/1190406229.db2.gz ZLMGVMPCJKGAML-WMLDXEAASA-N 0 3 321.490 3.264 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2sccc2C)cc1 ZINC001568115480 1190425874 /nfs/dbraw/zinc/42/58/74/1190425874.db2.gz FPDXHQUOVXCYIC-UHFFFAOYSA-N 0 3 312.438 3.099 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001568156348 1190437313 /nfs/dbraw/zinc/43/73/13/1190437313.db2.gz VMZKYODFTWFIJX-ONNFQVAWSA-N 0 3 322.880 3.103 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001568187687 1190445321 /nfs/dbraw/zinc/44/53/21/1190445321.db2.gz XDUKCHBFGUUSPW-OAHLLOKOSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1csc(CC)n1 ZINC001568187324 1190445514 /nfs/dbraw/zinc/44/55/14/1190445514.db2.gz OZNSVARAOODMMK-CYBMUJFWSA-N 0 3 323.506 3.150 20 30 DGEDHN CCCC(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001568324192 1190489937 /nfs/dbraw/zinc/48/99/37/1190489937.db2.gz JXMHMVXVMIJQKE-ZDUSSCGKSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@@H](F)CNC[C@H](NC(=O)C#CC(C)C)C1CCCCC1 ZINC001568341808 1190497001 /nfs/dbraw/zinc/49/70/01/1190497001.db2.gz BSIDBFLVANAMNW-SJORKVTESA-N 0 3 310.457 3.049 20 30 DGEDHN CC[C@H](F)CNC[C@H](NC(=O)C#CC(C)C)C1CCCCC1 ZINC001568341807 1190497135 /nfs/dbraw/zinc/49/71/35/1190497135.db2.gz BSIDBFLVANAMNW-IRXDYDNUSA-N 0 3 310.457 3.049 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc[nH]c1C(C)C)C(C)C ZINC001568459071 1190528017 /nfs/dbraw/zinc/52/80/17/1190528017.db2.gz KDUIYOXUGBTEOO-AWEZNQCLSA-N 0 3 311.857 3.235 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)C(F)(F)F)C(C)C ZINC001568468856 1190532172 /nfs/dbraw/zinc/53/21/72/1190532172.db2.gz NRKXWLKADXVIGB-JTQLQIEISA-N 0 3 314.779 3.058 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cccc2ccccc21 ZINC001568502602 1190551361 /nfs/dbraw/zinc/55/13/61/1190551361.db2.gz LSNJTVRFVQVJAS-UHFFFAOYSA-N 0 3 310.441 3.349 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001568505761 1190553506 /nfs/dbraw/zinc/55/35/06/1190553506.db2.gz DARGISWKGCXMMH-LSDHHAIUSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1ncc(C)s1 ZINC001568528494 1190559934 /nfs/dbraw/zinc/55/99/34/1190559934.db2.gz NDZKFHKXXILUJG-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2ccccc2)CCC1 ZINC001568551855 1190564322 /nfs/dbraw/zinc/56/43/22/1190564322.db2.gz WCJLFOIWENAPQQ-UHFFFAOYSA-N 0 3 300.446 3.075 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CSc1cc(C)ccc1C ZINC001568551349 1190564879 /nfs/dbraw/zinc/56/48/79/1190564879.db2.gz AHFIZDOXSUTGBT-UHFFFAOYSA-N 0 3 320.502 3.362 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1nc(C)cs1 ZINC001568664973 1190575709 /nfs/dbraw/zinc/57/57/09/1190575709.db2.gz SIEAGLJSHGVHKZ-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2cnccc2c1 ZINC001568696082 1190579337 /nfs/dbraw/zinc/57/93/37/1190579337.db2.gz LIQONPZFDJZPEQ-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001568774466 1190587747 /nfs/dbraw/zinc/58/77/47/1190587747.db2.gz BNVAQCOEKHVHIE-SFHVURJKSA-N 0 3 314.473 3.340 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CNCc1cc(C)sc1C ZINC001568902939 1190597883 /nfs/dbraw/zinc/59/78/83/1190597883.db2.gz RURNCIZTADIESD-HJWRWDBZSA-N 0 3 318.486 3.321 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccccc1-c1ccccc1 ZINC001568960897 1190602468 /nfs/dbraw/zinc/60/24/68/1190602468.db2.gz WANIYVKBZXRROS-MDZDMXLPSA-N 0 3 318.420 3.253 20 30 DGEDHN CCc1ccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)cc1 ZINC001569033739 1190611535 /nfs/dbraw/zinc/61/15/35/1190611535.db2.gz DZYRCUQTCCWIBI-QGZVFWFLSA-N 0 3 320.436 3.009 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001569121840 1190630174 /nfs/dbraw/zinc/63/01/74/1190630174.db2.gz QLEUAHSXXFQEAM-CQSZACIVSA-N 0 3 306.425 3.116 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001569360983 1190676023 /nfs/dbraw/zinc/67/60/23/1190676023.db2.gz IMJJPEUYASNBPD-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001569360960 1190676099 /nfs/dbraw/zinc/67/60/99/1190676099.db2.gz IMJJPEUYASNBPD-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1C ZINC001569376007 1190683557 /nfs/dbraw/zinc/68/35/57/1190683557.db2.gz FDAHBHWLLCCBFV-DLBZAZTESA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001569381628 1190686730 /nfs/dbraw/zinc/68/67/30/1190686730.db2.gz UVRYVEAQRMGNAY-OLZOCXBDSA-N 0 3 302.409 3.213 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H]1CCN1CCCCC)c1ccccc1 ZINC001569383622 1190687540 /nfs/dbraw/zinc/68/75/40/1190687540.db2.gz UNPPFXQNFNFZNJ-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccc(C3CCC3)cc2)CC1 ZINC001569398190 1190691220 /nfs/dbraw/zinc/69/12/20/1190691220.db2.gz UNHBRIGHAUQHOY-UHFFFAOYSA-N 0 3 324.468 3.496 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001569437490 1190698349 /nfs/dbraw/zinc/69/83/49/1190698349.db2.gz VJXRMWRWPBHDJW-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN(C(=O)c1cccc(Cl)c1)C1CCN(CC=C)CC1 ZINC001569596036 1190720684 /nfs/dbraw/zinc/72/06/84/1190720684.db2.gz LAVVUFOGUJUAAX-UHFFFAOYSA-N 0 3 316.832 3.066 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cccnc1)C1CCCC1 ZINC001569607721 1190722977 /nfs/dbraw/zinc/72/29/77/1190722977.db2.gz WKJUMGBFRSGNPF-KRWDZBQOSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001569618944 1190723989 /nfs/dbraw/zinc/72/39/89/1190723989.db2.gz VGDHCNLXVXFUIQ-KGLIPLIRSA-N 0 3 318.383 3.360 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(F)=C2CCCC2)C1 ZINC001569713646 1190746714 /nfs/dbraw/zinc/74/67/14/1190746714.db2.gz UXACNYXJRLSSEX-GOSISDBHSA-N 0 3 306.425 3.026 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001569719698 1190748587 /nfs/dbraw/zinc/74/85/87/1190748587.db2.gz IVKDCASCEAFNAB-GOSISDBHSA-N 0 3 304.478 3.361 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(C)cc(C)nc2C)C1 ZINC001569718907 1190748813 /nfs/dbraw/zinc/74/88/13/1190748813.db2.gz BMXUVCVUJAFYCU-LJQANCHMSA-N 0 3 315.461 3.025 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001569724120 1190750440 /nfs/dbraw/zinc/75/04/40/1190750440.db2.gz PXIZWMXQYYJIIN-APWZRJJASA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCC1(F)F)c1ccccc1CC ZINC001569802342 1190756272 /nfs/dbraw/zinc/75/62/72/1190756272.db2.gz SUMYSKBTTQJDMJ-HOTGVXAUSA-N 0 3 322.399 3.227 20 30 DGEDHN C=CCC1(C(=O)N(CCNCC#CC)Cc2ccccc2)CCC1 ZINC001569870447 1190768077 /nfs/dbraw/zinc/76/80/77/1190768077.db2.gz WWVMGQFHJHGEGZ-UHFFFAOYSA-N 0 3 324.468 3.375 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC001569903731 1190770262 /nfs/dbraw/zinc/77/02/62/1190770262.db2.gz AUHFBPIDXRKCAO-HZPDHXFCSA-N 0 3 304.459 3.280 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CCCCC ZINC001569911926 1190772629 /nfs/dbraw/zinc/77/26/29/1190772629.db2.gz DAONDQWSRLWTOT-KZNAEPCWSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C/C=C\c1ccc(C)cc1 ZINC001569917478 1190774210 /nfs/dbraw/zinc/77/42/10/1190774210.db2.gz SSJYRXDZDHSLHW-AHJVTXKRSA-N 0 3 322.452 3.097 20 30 DGEDHN CC#CCNC1(CNC(=O)C2(CC(C)C)CCCC2)CCC1 ZINC001570121373 1190800081 /nfs/dbraw/zinc/80/00/81/1190800081.db2.gz ZPXYKGOHRMBLIN-UHFFFAOYSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2c(s1)CCCC2 ZINC001570217112 1190824292 /nfs/dbraw/zinc/82/42/92/1190824292.db2.gz ZBGDLXLNJNBEDE-UHFFFAOYSA-N 0 3 318.486 3.044 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CCCC)C2 ZINC001570273453 1190834710 /nfs/dbraw/zinc/83/47/10/1190834710.db2.gz QLOXOXIEGDJRAH-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3cccn3C)cc2C1 ZINC001570310635 1190837018 /nfs/dbraw/zinc/83/70/18/1190837018.db2.gz FJUPZIMTQHISLH-UHFFFAOYSA-N 0 3 323.440 3.237 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001570335341 1190840826 /nfs/dbraw/zinc/84/08/26/1190840826.db2.gz WOWGYCWBKDZCPG-DOMZBBRYSA-N 0 3 324.827 3.382 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ncccc2C)CC1(C)C ZINC001570389233 1190850939 /nfs/dbraw/zinc/85/09/39/1190850939.db2.gz UVQSKVSZWMFIGZ-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C[C@@H]1C ZINC001570444099 1190859980 /nfs/dbraw/zinc/85/99/80/1190859980.db2.gz BMJQNFKLXLJDNR-NRZFXULQSA-N 0 3 310.441 3.082 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cnc(C)s1 ZINC001570625558 1190904475 /nfs/dbraw/zinc/90/44/75/1190904475.db2.gz YPUJSRZJKPIRER-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001570630194 1190905614 /nfs/dbraw/zinc/90/56/14/1190905614.db2.gz FUNCECKXWQOTMQ-IAGOWNOFSA-N 0 3 314.473 3.347 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001570727965 1190931924 /nfs/dbraw/zinc/93/19/24/1190931924.db2.gz GTRJULLBRRESCM-QSOAKEGCSA-N 0 3 300.446 3.349 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001570729999 1190933130 /nfs/dbraw/zinc/93/31/30/1190933130.db2.gz HFYYPSQZLFMFKC-GPZRYRNASA-N 0 3 312.457 3.330 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C(C)(F)F)CCCCC1 ZINC001570801218 1190951834 /nfs/dbraw/zinc/95/18/34/1190951834.db2.gz MJQWWPBGIZHXME-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN CCCC[C@H](CNCc1ccccc1Cl)NC(=O)[C@H](C)C#N ZINC001570807683 1190952923 /nfs/dbraw/zinc/95/29/23/1190952923.db2.gz QUUXPKFDUCFJJV-UKRRQHHQSA-N 0 3 321.852 3.264 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H](F)CC ZINC001570812687 1190954428 /nfs/dbraw/zinc/95/44/28/1190954428.db2.gz VGKFHTURBLRRJS-ROUUACIJSA-N 0 3 318.436 3.051 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC001570827502 1190960947 /nfs/dbraw/zinc/96/09/47/1190960947.db2.gz SEUHHOFOWYSDPS-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001570828137 1190960978 /nfs/dbraw/zinc/96/09/78/1190960978.db2.gz FTJKZYHHKXNNIK-SFHVURJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CN(CCc3ccccc3)C2)C1 ZINC001570854417 1190966343 /nfs/dbraw/zinc/96/63/43/1190966343.db2.gz WKENKTQFOVYOBY-MRXNPFEDSA-N 0 3 312.457 3.022 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCCNCc2ocnc2C)CC1 ZINC001571304931 1190990857 /nfs/dbraw/zinc/99/08/57/1190990857.db2.gz QVSDQUBVGAQNEP-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001571357985 1191001736 /nfs/dbraw/zinc/00/17/36/1191001736.db2.gz WHROGOYLPWLQHZ-KRWDZBQOSA-N 0 3 322.399 3.258 20 30 DGEDHN CCCCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001571377118 1191006784 /nfs/dbraw/zinc/00/67/84/1191006784.db2.gz FSNJZGYVTJWXHK-MRXNPFEDSA-N 0 3 318.436 3.194 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001571380187 1191008270 /nfs/dbraw/zinc/00/82/70/1191008270.db2.gz JZFWKQIXZXYARF-QWHCGFSZSA-N 0 3 310.388 3.429 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001571402086 1191015211 /nfs/dbraw/zinc/01/52/11/1191015211.db2.gz PMBAGMAGXOCXMQ-QZTJIDSGSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C)nc1C ZINC001571407231 1191017069 /nfs/dbraw/zinc/01/70/69/1191017069.db2.gz RUBFAEYFHLSIRS-HNNXBMFYSA-N 0 3 317.477 3.237 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC001571412946 1191018897 /nfs/dbraw/zinc/01/88/97/1191018897.db2.gz JPGNTWLZXFTPQC-IEBWSBKVSA-N 0 3 314.473 3.276 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@H](c1ccccc1)C(C)C ZINC001571412945 1191019040 /nfs/dbraw/zinc/01/90/40/1191019040.db2.gz JPGNTWLZXFTPQC-HKUYNNGSSA-N 0 3 314.473 3.276 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCCCc2ccccc2)C1 ZINC001571484706 1191028447 /nfs/dbraw/zinc/02/84/47/1191028447.db2.gz HOFWESVCXFYEON-HKUYNNGSSA-N 0 3 312.457 3.002 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCC3CCCC3)CCC[C@H]12 ZINC001571504612 1191035252 /nfs/dbraw/zinc/03/52/52/1191035252.db2.gz GONDRKSEKAGMSU-HKUYNNGSSA-N 0 3 302.462 3.093 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(COC)CCCCC2)[C@H]1C ZINC001571518547 1191040351 /nfs/dbraw/zinc/04/03/51/1191040351.db2.gz GQAVAXAUUXJJOP-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@H]1CCC[C@@H](C)C1)C(C)C ZINC001571615080 1191061570 /nfs/dbraw/zinc/06/15/70/1191061570.db2.gz FHDRAKSKGYAJFN-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)COc1ccccc1C)C(C)C ZINC001571616175 1191062756 /nfs/dbraw/zinc/06/27/56/1191062756.db2.gz UAIPCQUZHHITJN-UHFFFAOYSA-N 0 3 318.461 3.119 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)Oc1ccccc1)C(C)C ZINC001571615765 1191063082 /nfs/dbraw/zinc/06/30/82/1191063082.db2.gz DEUCUKKXBNJIQH-QGZVFWFLSA-N 0 3 318.461 3.199 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](C=C)c2ccccc2)CC1 ZINC001571651231 1191075235 /nfs/dbraw/zinc/07/52/35/1191075235.db2.gz POMCDVVDQRLFSZ-ZWKOTPCHSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C(C)(C)CCCCC)CC1 ZINC001571650826 1191075414 /nfs/dbraw/zinc/07/54/14/1191075414.db2.gz GTKRDYARIMRVJX-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2ccc(Cl)cc2)CC1 ZINC001571691475 1191082908 /nfs/dbraw/zinc/08/29/08/1191082908.db2.gz MKOPCDGOMGXFHI-UHFFFAOYSA-N 0 3 318.848 3.207 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001574852651 1191453767 /nfs/dbraw/zinc/45/37/67/1191453767.db2.gz XSCOJKUJXIMZBJ-JSGCOSHPSA-N 0 3 308.809 3.193 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC001574852870 1191454981 /nfs/dbraw/zinc/45/49/81/1191454981.db2.gz ZHGPFEIEQWLVMB-QDCKZUPOSA-N 0 3 310.869 3.177 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC001574903018 1191457439 /nfs/dbraw/zinc/45/74/39/1191457439.db2.gz JUBNSLHRWCYVKC-RCBQFDQVSA-N 0 3 324.852 3.216 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC001574901451 1191457758 /nfs/dbraw/zinc/45/77/58/1191457758.db2.gz IAXRIRGWJGCZPI-HOCLYGCPSA-N 0 3 306.475 3.309 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC001574908456 1191457967 /nfs/dbraw/zinc/45/79/67/1191457967.db2.gz OOJKCECGFAUMDK-IAGOWNOFSA-N 0 3 302.418 3.069 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O ZINC001574908081 1191458096 /nfs/dbraw/zinc/45/80/96/1191458096.db2.gz CLPGDUBKSJISPL-JTQLQIEISA-N 0 3 302.296 3.033 20 30 DGEDHN CC#CC[C@H](N)C(=O)N(CCCCCC)Cc1ccc(C)o1 ZINC001574961939 1191460693 /nfs/dbraw/zinc/46/06/93/1191460693.db2.gz BPBJSUIZMKCBOR-KRWDZBQOSA-N 0 3 304.434 3.238 20 30 DGEDHN C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H]1CNCCO1 ZINC001576252174 1191550130 /nfs/dbraw/zinc/55/01/30/1191550130.db2.gz PTYZHVAOEOBJFL-LIRRHRJNSA-N 0 3 323.396 3.139 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)ccc2OC)C1 ZINC001620214560 1193765335 /nfs/dbraw/zinc/76/53/35/1193765335.db2.gz KIZZLKQMCLQEQV-CQSZACIVSA-N 0 3 303.402 3.270 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@@H]2CCCC[C@H]12 ZINC001620524164 1193776219 /nfs/dbraw/zinc/77/62/19/1193776219.db2.gz NBVHRJJHUPOVIU-RCCFBDPRSA-N 0 3 303.833 3.317 20 30 DGEDHN N#Cc1cccc(OCCN2CCO[C@H](c3ccccc3)CC2)c1 ZINC001620671114 1193789417 /nfs/dbraw/zinc/78/94/17/1193789417.db2.gz FKYCFJGEEZRRSV-FQEVSTJZSA-N 0 3 322.408 3.401 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)cc2ccccc21 ZINC001625360495 1194047334 /nfs/dbraw/zinc/04/73/34/1194047334.db2.gz YGTRFMWZWKLOGK-UHFFFAOYSA-N 0 3 314.816 3.178 20 30 DGEDHN C=CCCCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001634475125 1194496212 /nfs/dbraw/zinc/49/62/12/1194496212.db2.gz XFIUXBNROOVIRY-IBGZPJMESA-N 0 3 315.461 3.307 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC[C@H]1CCc2ccccc21 ZINC001634645507 1194507191 /nfs/dbraw/zinc/50/71/91/1194507191.db2.gz AAFSBJYRSBANFO-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCCC2(C1)CCCCCC2 ZINC001635733167 1194568647 /nfs/dbraw/zinc/56/86/47/1194568647.db2.gz IVWKDOVCXCENIF-UHFFFAOYSA-N 0 3 319.493 3.088 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CSCc1ccc(F)cc1 ZINC001635753013 1194569229 /nfs/dbraw/zinc/56/92/29/1194569229.db2.gz CBOKMDDPYBBSIS-UHFFFAOYSA-N 0 3 324.465 3.025 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2cccc(OC)c2o1 ZINC001635753481 1194569289 /nfs/dbraw/zinc/56/92/89/1194569289.db2.gz YTHKJPRPOFLRJX-UHFFFAOYSA-N 0 3 316.401 3.021 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1nc(Cl)sc1Cl ZINC001635757611 1194570669 /nfs/dbraw/zinc/57/06/69/1194570669.db2.gz FBJXNXVTJMXAFV-UHFFFAOYSA-N 0 3 322.261 3.030 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001635854123 1194575509 /nfs/dbraw/zinc/57/55/09/1194575509.db2.gz YJJYGTWOVTYGTC-AEFFLSMTSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001635854126 1194575997 /nfs/dbraw/zinc/57/59/97/1194575997.db2.gz YJJYGTWOVTYGTC-WMZOPIPTSA-N 0 3 300.446 3.368 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2csc(C#N)c2)c(F)c1 ZINC001639070064 1194749280 /nfs/dbraw/zinc/74/92/80/1194749280.db2.gz FDKWGAKKSKOFAD-UHFFFAOYSA-N 0 3 303.362 3.073 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001640015757 1194791140 /nfs/dbraw/zinc/79/11/40/1194791140.db2.gz JCIPFBGVJFRKNG-UHFFFAOYSA-N 0 3 304.478 3.025 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001640016524 1194791217 /nfs/dbraw/zinc/79/12/17/1194791217.db2.gz YSPXVCZDLDKAKB-HOCLYGCPSA-N 0 3 322.399 3.035 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001640020179 1194791956 /nfs/dbraw/zinc/79/19/56/1194791956.db2.gz QISNMDYJMMFVGS-UHFFFAOYSA-N 0 3 318.436 3.115 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(Cc2ccncc2C#N)CC1 ZINC001641887709 1194878252 /nfs/dbraw/zinc/87/82/52/1194878252.db2.gz RLOPSMIQHWLPMT-HXUWFJFHSA-N 0 3 320.440 3.222 20 30 DGEDHN C[C@H]1CN(Cc2cc(C#N)ccn2)[C@@H](C)CN1Cc1ccccc1 ZINC001642293822 1194900180 /nfs/dbraw/zinc/90/01/80/1194900180.db2.gz JSJIFGAMNWMTBP-IRXDYDNUSA-N 0 3 320.440 3.048 20 30 DGEDHN N#CC1(C[C@H](O)CN[C@@H](c2ccc(F)cc2F)C2CC2)CCC1 ZINC001642433746 1194910161 /nfs/dbraw/zinc/91/01/61/1194910161.db2.gz HZOJTYZVYQKREZ-WMLDXEAASA-N 0 3 320.383 3.450 20 30 DGEDHN C=C(CC)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001643463479 1195026961 /nfs/dbraw/zinc/02/69/61/1195026961.db2.gz ZZFJUQAJDCMFGN-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN(CC(=O)NCCOc1c(C)cccc1C)C(C)(C)C ZINC001643857810 1195059485 /nfs/dbraw/zinc/05/94/85/1195059485.db2.gz PACARWJYUCQROI-UHFFFAOYSA-N 0 3 318.461 3.085 20 30 DGEDHN COc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1C#N ZINC001643952957 1195066757 /nfs/dbraw/zinc/06/67/57/1195066757.db2.gz FLFYNIRRYJLWPM-QGZVFWFLSA-N 0 3 315.417 3.016 20 30 DGEDHN C=CC[C@H]1CCN(CC(=O)NCCc2c(C)cc(C)cc2C)C1 ZINC001643961015 1195067713 /nfs/dbraw/zinc/06/77/13/1195067713.db2.gz RYEOOMTWNOQARP-SFHVURJKSA-N 0 3 314.473 3.169 20 30 DGEDHN CCC#C[C@@H](C)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC001644550531 1195116205 /nfs/dbraw/zinc/11/62/05/1195116205.db2.gz UINCEWYFWKTUNG-VQIMIIECSA-N 0 3 304.478 3.291 20 30 DGEDHN C[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)CCN1C1CCCC1 ZINC001644595620 1195119718 /nfs/dbraw/zinc/11/97/18/1195119718.db2.gz SEIWKQIBGMEKOG-BLIJAFNYSA-N 0 3 323.440 3.047 20 30 DGEDHN CC[C@@]1(C)CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001644943834 1195144096 /nfs/dbraw/zinc/14/40/96/1195144096.db2.gz BQNRHQLPQQTQAU-YDXUJSMASA-N 0 3 319.493 3.428 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1CCCC1 ZINC001645107397 1195157624 /nfs/dbraw/zinc/15/76/24/1195157624.db2.gz XJBFPMZKBAVOBX-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C/C=C\C[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001647921336 1195265205 /nfs/dbraw/zinc/26/52/05/1195265205.db2.gz RIZLKLBCJFGNMR-TVXHNZNVSA-N 0 3 323.440 3.342 20 30 DGEDHN C=C(CC)CN1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001648312630 1195291431 /nfs/dbraw/zinc/29/14/31/1195291431.db2.gz XRHUXBYCJVCWFP-LBPRGKRZSA-N 0 3 310.239 3.385 20 30 DGEDHN C=CCCC(=O)NCC1(C)CCN(Cc2cnc(C)s2)CC1 ZINC001671829672 1195357546 /nfs/dbraw/zinc/35/75/46/1195357546.db2.gz HHNLUCFHURNQFU-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN CC1(C)CCCN(CCNc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC001651012939 1195404417 /nfs/dbraw/zinc/40/44/17/1195404417.db2.gz UOWPHRUCHRBDKW-UHFFFAOYSA-N 0 3 320.368 3.139 20 30 DGEDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cc(C#N)ccc1Br ZINC001651582329 1195482354 /nfs/dbraw/zinc/48/23/54/1195482354.db2.gz ORYGWPXTWZZHOD-BXKLLYQPSA-N 0 3 305.219 3.455 20 30 DGEDHN C=CCN(C)CCN(CC)c1nccc(Oc2ccccc2)n1 ZINC001651986408 1195533018 /nfs/dbraw/zinc/53/30/18/1195533018.db2.gz CQBBVXYVGRXXII-UHFFFAOYSA-N 0 3 312.417 3.213 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN(CCC(F)(F)F)CC2CC2)c1 ZINC001652649964 1195631366 /nfs/dbraw/zinc/63/13/66/1195631366.db2.gz PRZKGAFIIVIOBB-HNNXBMFYSA-N 0 3 312.335 3.256 20 30 DGEDHN C#CCN(CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1 ZINC001653548054 1195733486 /nfs/dbraw/zinc/73/34/86/1195733486.db2.gz WGFSWUMNJBUSIK-UHFFFAOYSA-N 0 3 316.445 3.379 20 30 DGEDHN CN(CCCCC1(C#N)CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001654608269 1195823065 /nfs/dbraw/zinc/82/30/65/1195823065.db2.gz GHFQISNCHPAKKB-UHFFFAOYSA-N 0 3 321.465 3.402 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001655672444 1195948504 /nfs/dbraw/zinc/94/85/04/1195948504.db2.gz KPQQCCZEHYCIQI-NSHDSACASA-N 0 3 308.407 3.060 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2ncccc2c1 ZINC001656088044 1195997958 /nfs/dbraw/zinc/99/79/58/1195997958.db2.gz FKNGMMAMQZBPRP-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001656122749 1196007642 /nfs/dbraw/zinc/00/76/42/1196007642.db2.gz XZOMUVSHAINGOY-JNSHFYNHSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001656150725 1196010582 /nfs/dbraw/zinc/01/05/82/1196010582.db2.gz SDQQUMHGUBOFPJ-YSBVSCSKSA-N 0 3 322.452 3.045 20 30 DGEDHN C[C@@H](N[C@@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1)c1ccccc1Cl ZINC001656188018 1196015070 /nfs/dbraw/zinc/01/50/70/1196015070.db2.gz MNYAKIZQUQRMMG-CRWXNKLISA-N 0 3 319.836 3.045 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C#CC(C)C ZINC001656434670 1196040156 /nfs/dbraw/zinc/04/01/56/1196040156.db2.gz OGSFOUJKCIJILS-GOEBONIOSA-N 0 3 310.869 3.005 20 30 DGEDHN C[C@H](CCC#N)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001656469384 1196042495 /nfs/dbraw/zinc/04/24/95/1196042495.db2.gz HXXIBPVUFMQSOE-TUBUQKNSSA-N 0 3 307.438 3.200 20 30 DGEDHN CCc1ccc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H]2CC)cc1 ZINC001656708050 1196064377 /nfs/dbraw/zinc/06/43/77/1196064377.db2.gz SDIVMNIZXWLLPG-VQTJNVASSA-N 0 3 324.468 3.132 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2)[C@H]1CC ZINC001656756227 1196069103 /nfs/dbraw/zinc/06/91/03/1196069103.db2.gz QDRVMVZZWKVSNF-NZSAHSFTSA-N 0 3 312.457 3.173 20 30 DGEDHN C#C[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(Br)cc1 ZINC001658193023 1196223031 /nfs/dbraw/zinc/22/30/31/1196223031.db2.gz JOMLGTKLAMDHNJ-DDTOSNHZSA-N 0 3 310.260 3.465 20 30 DGEDHN N#Cc1ccc(CCNCc2cccnc2Br)cc1 ZINC001658277890 1196234679 /nfs/dbraw/zinc/23/46/79/1196234679.db2.gz LGHMFKRKYMKDOI-UHFFFAOYSA-N 0 3 316.202 3.048 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001658883106 1196313550 /nfs/dbraw/zinc/31/35/50/1196313550.db2.gz DXRNZISJAFRDAA-PBHICJAKSA-N 0 3 319.832 3.353 20 30 DGEDHN CCOC(=O)[C@]12CCC[C@H]1C[C@@H](NCC1(C#N)CCCC1)C2 ZINC001659574404 1196397216 /nfs/dbraw/zinc/39/72/16/1196397216.db2.gz SPCUBYHVOJGAQC-DAYGRLMNSA-N 0 3 304.434 3.172 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)CCC(F)(F)F ZINC001660571602 1196498367 /nfs/dbraw/zinc/49/83/67/1196498367.db2.gz OAAUTTUNPKGEQL-UHFFFAOYSA-N 0 3 308.388 3.369 20 30 DGEDHN C[C@H](Cc1ccc(F)cc1Cl)NCC1(C#N)CCOCC1 ZINC001660206726 1196457080 /nfs/dbraw/zinc/45/70/80/1196457080.db2.gz URFWAMKVXCJVSK-GFCCVEGCSA-N 0 3 310.800 3.320 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001660847914 1196535097 /nfs/dbraw/zinc/53/50/97/1196535097.db2.gz QNYMQKXEPGOZDT-HNNXBMFYSA-N 0 3 320.433 3.229 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCOC2CCCCCC2)C1 ZINC001661016306 1196553348 /nfs/dbraw/zinc/55/33/48/1196553348.db2.gz YMKRVVZDKZQNBT-KRWDZBQOSA-N 0 3 322.493 3.273 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CC23CCCC3)CC1 ZINC001661096995 1196566100 /nfs/dbraw/zinc/56/61/00/1196566100.db2.gz HAKTXQADHFPTSS-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCC(=O)NC[C@@H](N[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC001661111670 1196569251 /nfs/dbraw/zinc/56/92/51/1196569251.db2.gz DMTPCTLMDQTUCJ-SJKOYZFVSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1cc(C)ns1)C1CC1 ZINC001661162445 1196574664 /nfs/dbraw/zinc/57/46/64/1196574664.db2.gz JESXTMGYWFZHGC-WBVHZDCISA-N 0 3 321.490 3.038 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001661417217 1196603721 /nfs/dbraw/zinc/60/37/21/1196603721.db2.gz DGQLMPFLQIBZQZ-RBSFLKMASA-N 0 3 318.848 3.297 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001661593359 1196622251 /nfs/dbraw/zinc/62/22/51/1196622251.db2.gz DGQLMPFLQIBZQZ-SOUVJXGZSA-N 0 3 318.848 3.297 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001661856591 1196652916 /nfs/dbraw/zinc/65/29/16/1196652916.db2.gz QOAKPRJYCCRPER-SFHVURJKSA-N 0 3 320.477 3.050 20 30 DGEDHN CCc1cccc(CN2CCCC[C@H]2CNC(=O)C#CC2CC2)c1 ZINC001661861453 1196654069 /nfs/dbraw/zinc/65/40/69/1196654069.db2.gz OBDCSZVNAFKFPB-FQEVSTJZSA-N 0 3 324.468 3.133 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001661871277 1196655158 /nfs/dbraw/zinc/65/51/58/1196655158.db2.gz NVXTUQZQHRWGQW-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1ccc(F)cc1 ZINC001661871716 1196655227 /nfs/dbraw/zinc/65/52/27/1196655227.db2.gz XSNORQHSYAILJY-GOSISDBHSA-N 0 3 318.436 3.305 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001661984018 1196670862 /nfs/dbraw/zinc/67/08/62/1196670862.db2.gz QBXIZZAKZAKNPI-AEFFLSMTSA-N 0 3 302.462 3.117 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](C)NCc2cc(C)ccc2F)cc1 ZINC001662303663 1196705193 /nfs/dbraw/zinc/70/51/93/1196705193.db2.gz ONTFKIGPADNLLT-HNNXBMFYSA-N 0 3 324.399 3.024 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)[C@H](CCC)CC1CCCCC1 ZINC001662349690 1196711300 /nfs/dbraw/zinc/71/13/00/1196711300.db2.gz FREICFWCMMJSHT-SJLPKXTDSA-N 0 3 306.494 3.491 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H](C)NC/C=C/Cl)c1ccccc1 ZINC001662420248 1196719931 /nfs/dbraw/zinc/71/99/31/1196719931.db2.gz OFHNJEJOHOXAAL-WWQFSPIMSA-N 0 3 306.837 3.193 20 30 DGEDHN C#Cc1ccc(CNCc2cn(C)nc2-c2ccc(F)cc2)cc1 ZINC001662492453 1196725708 /nfs/dbraw/zinc/72/57/08/1196725708.db2.gz SPMHXPRNTAJOTB-UHFFFAOYSA-N 0 3 319.383 3.497 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)CCC1 ZINC001673397716 1196736349 /nfs/dbraw/zinc/73/63/49/1196736349.db2.gz VBTSJWFOFSGXRZ-IWOOQVRJSA-N 0 3 310.869 3.456 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001662872200 1196765688 /nfs/dbraw/zinc/76/56/88/1196765688.db2.gz HQYXNIYVXHEBLP-MOPGFXCFSA-N 0 3 312.457 3.126 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1ncc(C)s1 ZINC001662979497 1196779137 /nfs/dbraw/zinc/77/91/37/1196779137.db2.gz KSGJGVBGJOSEDA-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001663001021 1196781363 /nfs/dbraw/zinc/78/13/63/1196781363.db2.gz LVKWTHYWZZLIGF-CWRNSKLLSA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](F)C(C)C ZINC001663098826 1196791766 /nfs/dbraw/zinc/79/17/66/1196791766.db2.gz OTAVIPZWZFZNSB-KGLIPLIRSA-N 0 3 304.837 3.094 20 30 DGEDHN C#CCCCC(=O)NCCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC001663172430 1196804539 /nfs/dbraw/zinc/80/45/39/1196804539.db2.gz YBZIJTLRJFRPFL-UHFFFAOYSA-N 0 3 314.473 3.336 20 30 DGEDHN C#CCC[C@@H](O)CNCc1ccc(-c2cccc(F)c2F)o1 ZINC001663181380 1196806808 /nfs/dbraw/zinc/80/68/08/1196806808.db2.gz QLQKEXDOUGNYJC-GFCCVEGCSA-N 0 3 305.324 3.089 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1ccc(C2CC2)cc1 ZINC001663249392 1196817327 /nfs/dbraw/zinc/81/73/27/1196817327.db2.gz HIJYQTBJTRCIKG-UHFFFAOYSA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)C[C@H]2CCCCO2)CCCCC1 ZINC001663339553 1196838173 /nfs/dbraw/zinc/83/81/73/1196838173.db2.gz NFAJTACVDSPKDO-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN(CC)CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001663447684 1196870509 /nfs/dbraw/zinc/87/05/09/1196870509.db2.gz VCBZMLQOQVSTQG-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(C2CC2)[nH]c1C1CC1)C1CC1 ZINC001663729914 1196936166 /nfs/dbraw/zinc/93/61/66/1196936166.db2.gz BEYWOYGCVYVLTF-UHFFFAOYSA-N 0 3 313.445 3.150 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1cccc(Cl)c1)C1CC1 ZINC001663743733 1196937715 /nfs/dbraw/zinc/93/77/15/1196937715.db2.gz DMSULQUFUANDSW-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC001664566736 1197014458 /nfs/dbraw/zinc/01/44/58/1197014458.db2.gz JCBVORCVPTVOGT-GOSISDBHSA-N 0 3 312.388 3.463 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)cc1F)c1ccccc1 ZINC001664592339 1197018801 /nfs/dbraw/zinc/01/88/01/1197018801.db2.gz IOKLVYYQSVWKGI-SFHVURJKSA-N 0 3 312.388 3.381 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)C(C)(F)F)c1ccccc1 ZINC001664592344 1197018811 /nfs/dbraw/zinc/01/88/11/1197018811.db2.gz IQPPMCQXAJHZGC-DZGCQCFKSA-N 0 3 310.388 3.301 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CCC)C(=O)c2cnc(C)s2)C1 ZINC001664655061 1197027591 /nfs/dbraw/zinc/02/75/91/1197027591.db2.gz DWJVPEROZPBULF-OAHLLOKOSA-N 0 3 321.490 3.344 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001664667367 1197030125 /nfs/dbraw/zinc/03/01/25/1197030125.db2.gz IYSTTYPSURWGFQ-CABCVRRESA-N 0 3 314.420 3.004 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001664673052 1197031718 /nfs/dbraw/zinc/03/17/18/1197031718.db2.gz GOGWTLCXRXQUJQ-CADBVGFASA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001664695822 1197039083 /nfs/dbraw/zinc/03/90/83/1197039083.db2.gz SSABHWIOCXDNOI-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001664695822 1197039087 /nfs/dbraw/zinc/03/90/87/1197039087.db2.gz SSABHWIOCXDNOI-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CC[C@H](C(=O)NCC[C@H]1CCN(CCF)C1)c1ccccc1 ZINC001664760731 1197054357 /nfs/dbraw/zinc/05/43/57/1197054357.db2.gz XWKMWVXTNWQTGE-WMZOPIPTSA-N 0 3 318.436 3.144 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)CCCC1 ZINC001665088514 1197095848 /nfs/dbraw/zinc/09/58/48/1197095848.db2.gz DSBDDPWOBLNKOU-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCN([O-])C1=O ZINC001665140647 1197102475 /nfs/dbraw/zinc/10/24/75/1197102475.db2.gz LYVIHQPGDFJFBK-HOTGVXAUSA-N 0 3 324.852 3.267 20 30 DGEDHN C=CCCC(=O)NCC1CN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001665263352 1197116157 /nfs/dbraw/zinc/11/61/57/1197116157.db2.gz SPIUTFFYJUHMBD-OAHLLOKOSA-N 0 3 312.457 3.251 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001665284490 1197118684 /nfs/dbraw/zinc/11/86/84/1197118684.db2.gz ZHJMOOBFUKATFR-OAHLLOKOSA-N 0 3 300.446 3.398 20 30 DGEDHN CCCCCCCN1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001665637385 1197162048 /nfs/dbraw/zinc/16/20/48/1197162048.db2.gz RTXUGXJOMWFGPZ-CQSZACIVSA-N 0 3 309.479 3.260 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001665732259 1197182360 /nfs/dbraw/zinc/18/23/60/1197182360.db2.gz RFLRLKHCISTUEO-HNNXBMFYSA-N 0 3 322.399 3.006 20 30 DGEDHN CC[C@@H](CNC(=O)C1CCCCC1)NCc1ccc(C#N)s1 ZINC001665754067 1197188213 /nfs/dbraw/zinc/18/82/13/1197188213.db2.gz JNAWEKFJXWGLET-AWEZNQCLSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001665828240 1197203525 /nfs/dbraw/zinc/20/35/25/1197203525.db2.gz LEOLVJLZQOWTKY-XEYRCQSKSA-N 0 3 310.441 3.045 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2oc(C)cc2C)C1 ZINC001666093701 1197235766 /nfs/dbraw/zinc/23/57/66/1197235766.db2.gz VXVVNEODNXEEHJ-HNNXBMFYSA-N 0 3 324.852 3.481 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@]2(C)CCC[C@@H]2C)cc1 ZINC001666340795 1197253574 /nfs/dbraw/zinc/25/35/74/1197253574.db2.gz ABLUFUBPENFMRD-OXJNMPFZSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)[C@H](C)CC)cc1 ZINC001666344710 1197254010 /nfs/dbraw/zinc/25/40/10/1197254010.db2.gz MYJYAFPGYPWADD-CVEARBPZSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)/C=C/c2ccco2)CCCC1 ZINC001666738101 1197281446 /nfs/dbraw/zinc/28/14/46/1197281446.db2.gz ODQBBOXEFZTOCK-VOTSOKGWSA-N 0 3 308.809 3.064 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc3occc3[nH]2)CCCC1 ZINC001666763300 1197283283 /nfs/dbraw/zinc/28/32/83/1197283283.db2.gz AZLVAKNPVKTUSN-UHFFFAOYSA-N 0 3 321.808 3.146 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cnc(C)s2)CCCC1 ZINC001666778808 1197284422 /nfs/dbraw/zinc/28/44/22/1197284422.db2.gz UJDGADOWBGJCRW-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001666792477 1197285642 /nfs/dbraw/zinc/28/56/42/1197285642.db2.gz MGGMENOSLABKIH-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001667018351 1197308974 /nfs/dbraw/zinc/30/89/74/1197308974.db2.gz OALONSDACVSHPP-QZTJIDSGSA-N 0 3 314.473 3.301 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001667055153 1197312184 /nfs/dbraw/zinc/31/21/84/1197312184.db2.gz ZLXKISYMDPAXHW-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](C)CSC ZINC001667237677 1197332182 /nfs/dbraw/zinc/33/21/82/1197332182.db2.gz CBDIAGACGQXXMX-OCCSQVGLSA-N 0 3 318.914 3.099 20 30 DGEDHN C=C1CCC(CNC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001667355919 1197340250 /nfs/dbraw/zinc/34/02/50/1197340250.db2.gz PADNTBVVROVHSN-UHFFFAOYSA-N 0 3 315.461 3.164 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cnoc1C ZINC001667375287 1197342258 /nfs/dbraw/zinc/34/22/58/1197342258.db2.gz RYYLOXTVYRAZNC-RHSMWYFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC001667726407 1197383093 /nfs/dbraw/zinc/38/30/93/1197383093.db2.gz FDCHUCSWGOIAHD-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC001668106986 1197400214 /nfs/dbraw/zinc/40/02/14/1197400214.db2.gz RLKONMKXLFOOLN-NEPJUHHUSA-N 0 3 319.287 3.062 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1ccccc1C ZINC001668350439 1197411619 /nfs/dbraw/zinc/41/16/19/1197411619.db2.gz YQAXEEAESZXGGA-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001669863260 1197492747 /nfs/dbraw/zinc/49/27/47/1197492747.db2.gz XQCGFMZFCUQCKZ-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001669867355 1197494015 /nfs/dbraw/zinc/49/40/15/1197494015.db2.gz DSMSSDVWNSAXGM-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=CCCC(=O)N(C)CCCN[C@@H](C)c1c(F)cccc1F ZINC001670038588 1197516972 /nfs/dbraw/zinc/51/69/72/1197516972.db2.gz NVESHMJKBHQREC-ZDUSSCGKSA-N 0 3 310.388 3.430 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001670124537 1197521862 /nfs/dbraw/zinc/52/18/62/1197521862.db2.gz UGMQDUDGDALNOP-UHFFFAOYSA-N 0 3 309.841 3.009 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1sccc1CC ZINC001670353115 1197533269 /nfs/dbraw/zinc/53/32/69/1197533269.db2.gz OVYIOZZRQKTALC-UHFFFAOYSA-N 0 3 300.855 3.115 20 30 DGEDHN C#CCN(C(=O)Cc1cccc(C)c1)C1CCN(CC(=C)C)CC1 ZINC001671492357 1197542866 /nfs/dbraw/zinc/54/28/66/1197542866.db2.gz XKKOOLOIXNPPGL-UHFFFAOYSA-N 0 3 324.468 3.040 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001671593402 1197551385 /nfs/dbraw/zinc/55/13/85/1197551385.db2.gz JMJSDNJYYOXCLC-MJGOQNOKSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001671619624 1197554125 /nfs/dbraw/zinc/55/41/25/1197554125.db2.gz FDGIAAAERKZPFT-IBGZPJMESA-N 0 3 312.413 3.480 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)sc2C)C1 ZINC001671892105 1197582163 /nfs/dbraw/zinc/58/21/63/1197582163.db2.gz LFCQWQSOWCEURA-KRWDZBQOSA-N 0 3 306.475 3.383 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC001672825759 1197624863 /nfs/dbraw/zinc/62/48/63/1197624863.db2.gz MBGZCFDWZGGXCZ-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccoc2Cl)cc1 ZINC001672936966 1197629470 /nfs/dbraw/zinc/62/94/70/1197629470.db2.gz GRLDMGNBSQMQII-GFCCVEGCSA-N 0 3 316.788 3.147 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2oc(C)cc2C)cc1 ZINC001672936902 1197629487 /nfs/dbraw/zinc/62/94/87/1197629487.db2.gz FHZWTNVCLVOQDJ-HNNXBMFYSA-N 0 3 310.397 3.110 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)c2ccco2)cc1 ZINC001672943202 1197630012 /nfs/dbraw/zinc/63/00/12/1197630012.db2.gz JOTXTTHOYPKXAN-JKSUJKDBSA-N 0 3 324.424 3.373 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccoc2CCC)cc1 ZINC001672944101 1197630456 /nfs/dbraw/zinc/63/04/56/1197630456.db2.gz WQZDJJPPSYPDFO-HNNXBMFYSA-N 0 3 324.424 3.446 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001673008404 1197634323 /nfs/dbraw/zinc/63/43/23/1197634323.db2.gz FMNMFBVXGYKNHX-KRWDZBQOSA-N 0 3 322.468 3.427 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@H](C)CCC(C)(C)C)C2)CC1 ZINC001673021512 1197635331 /nfs/dbraw/zinc/63/53/31/1197635331.db2.gz YTOJVFHPWNVSPP-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C(C)(C)CCCCC)C2)CC1 ZINC001673021370 1197635347 /nfs/dbraw/zinc/63/53/47/1197635347.db2.gz UGPZINKLESVDAX-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H](C)C2CCCCC2)CCC1 ZINC001673218370 1197644261 /nfs/dbraw/zinc/64/42/61/1197644261.db2.gz LYWPLIBIZPTEDB-INIZCTEOSA-N 0 3 304.478 3.245 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001673397040 1197656356 /nfs/dbraw/zinc/65/63/56/1197656356.db2.gz MXCSGVPHLASHFU-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001673497173 1197669895 /nfs/dbraw/zinc/66/98/95/1197669895.db2.gz YTOUXZDSQBWTNR-MSOLQXFVSA-N 0 3 322.468 3.100 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc3ccccc3o2)[C@@H](C)C1 ZINC001673855959 1197698221 /nfs/dbraw/zinc/69/82/21/1197698221.db2.gz WMTRPYQKHJRCHK-YOEHRIQHSA-N 0 3 312.413 3.336 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001673872060 1197700280 /nfs/dbraw/zinc/70/02/80/1197700280.db2.gz MAADTCKWZPLRDW-MJGOQNOKSA-N 0 3 324.468 3.077 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC001673872543 1197700445 /nfs/dbraw/zinc/70/04/45/1197700445.db2.gz QRYRXIZXVVWMOZ-GUYCJALGSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC001674280553 1197757393 /nfs/dbraw/zinc/75/73/93/1197757393.db2.gz WLPLMYCLWOIQQW-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(C)c1Cl ZINC001674491177 1197786503 /nfs/dbraw/zinc/78/65/03/1197786503.db2.gz MFCYCJJIXPSBNT-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccccc1Cl ZINC001674662521 1197826221 /nfs/dbraw/zinc/82/62/21/1197826221.db2.gz XTBFVDZQHAGYBD-ZIAGYGMSSA-N 0 3 306.837 3.126 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674723568 1197848272 /nfs/dbraw/zinc/84/82/72/1197848272.db2.gz ZTRPJRNQOZFSCO-UONOGXRCSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001674839463 1197886851 /nfs/dbraw/zinc/88/68/51/1197886851.db2.gz GJUXAWMHFVITGY-AWEZNQCLSA-N 0 3 312.885 3.393 20 30 DGEDHN CCC(=CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1)CC ZINC001674912990 1197915665 /nfs/dbraw/zinc/91/56/65/1197915665.db2.gz LHBZUGULDKYQAO-HNNXBMFYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001675048883 1197979380 /nfs/dbraw/zinc/97/93/80/1197979380.db2.gz HAXFKXNLRLHLMT-WBVHZDCISA-N 0 3 300.446 3.119 20 30 DGEDHN CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1C ZINC001675228431 1198012294 /nfs/dbraw/zinc/01/22/94/1198012294.db2.gz QBFFSKBYEBRXRK-XJKCOSOUSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001675263335 1198026198 /nfs/dbraw/zinc/02/61/98/1198026198.db2.gz PNFMVTMFDWLYAU-HZPDHXFCSA-N 0 3 318.486 3.236 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001675275769 1198033752 /nfs/dbraw/zinc/03/37/52/1198033752.db2.gz SNCFDRFTDUBRTN-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C[C@@H](NC(=O)C#CC(C)(C)C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001675304853 1198040003 /nfs/dbraw/zinc/04/00/03/1198040003.db2.gz CLHOTURRNFHGIH-CVEARBPZSA-N 0 3 312.457 3.234 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC001675342542 1198048081 /nfs/dbraw/zinc/04/80/81/1198048081.db2.gz BBJSOOXXKSMHDE-OAHLLOKOSA-N 0 3 302.462 3.280 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001675348815 1198049638 /nfs/dbraw/zinc/04/96/38/1198049638.db2.gz HXWNFUQEZLZLCV-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@H]1C ZINC001676632655 1198352852 /nfs/dbraw/zinc/35/28/52/1198352852.db2.gz BWZMOMBNFVWARZ-WBMJQRKESA-N 0 3 308.372 3.010 20 30 DGEDHN C=CC1(CC(=O)N2C[C@@H](NCC#CC)C[C@@H]2C)CCCCC1 ZINC001676762492 1198382341 /nfs/dbraw/zinc/38/23/41/1198382341.db2.gz KVKYPRVRCMSDBA-IRXDYDNUSA-N 0 3 302.462 3.115 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001676774952 1198384836 /nfs/dbraw/zinc/38/48/36/1198384836.db2.gz OYFDCNOTCHUFOM-QAPCUYQASA-N 0 3 312.457 3.200 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001677099159 1198472944 /nfs/dbraw/zinc/47/29/44/1198472944.db2.gz CCBLGNGKHVKZEA-KRWDZBQOSA-N 0 3 317.477 3.363 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCc2cc(F)ccc21)C(C)C ZINC001677204613 1198484423 /nfs/dbraw/zinc/48/44/23/1198484423.db2.gz BNWLSWAWRHHINV-SFHVURJKSA-N 0 3 318.436 3.210 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CCC(C)(C)CO1)C(C)C ZINC001677205203 1198487846 /nfs/dbraw/zinc/48/78/46/1198487846.db2.gz OCWTWMVJMDBWRV-QGZVFWFLSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(F)ccc1OC)C(C)C ZINC001677209566 1198489957 /nfs/dbraw/zinc/48/99/57/1198489957.db2.gz ZRYVEKOVFUSLHF-UHFFFAOYSA-N 0 3 322.424 3.193 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1sccc1CC)C(C)C ZINC001677219531 1198493469 /nfs/dbraw/zinc/49/34/69/1198493469.db2.gz VNYLAZGSZUWVQX-UHFFFAOYSA-N 0 3 306.475 3.116 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccccc1Cl)C(C)(C)C ZINC001677237406 1198497491 /nfs/dbraw/zinc/49/74/91/1198497491.db2.gz ADNUOEYOAZRRCE-IUODEOHRSA-N 0 3 321.852 3.120 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(C)(C)CC(C)C)CC1 ZINC001677341796 1198519105 /nfs/dbraw/zinc/51/91/05/1198519105.db2.gz BFBNVBXOJYFNQH-MRXNPFEDSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC001677467591 1198541440 /nfs/dbraw/zinc/54/14/40/1198541440.db2.gz OSENRFYURGOYIW-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cc(C)cs2)c(F)c1 ZINC001677643284 1198565284 /nfs/dbraw/zinc/56/52/84/1198565284.db2.gz NZWXULCJFNCKIW-UHFFFAOYSA-N 0 3 318.417 3.401 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2sccc2C)c(F)c1 ZINC001677640528 1198565910 /nfs/dbraw/zinc/56/59/10/1198565910.db2.gz SETPZJJAZNXBEU-UHFFFAOYSA-N 0 3 318.417 3.401 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001677924589 1198605949 /nfs/dbraw/zinc/60/59/49/1198605949.db2.gz MUUVUBSBTKCDPV-KRWDZBQOSA-N 0 3 317.477 3.499 20 30 DGEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001682368727 1199154591 /nfs/dbraw/zinc/15/45/91/1199154591.db2.gz CUJMOGQQQDMWTQ-JZXOWHBKSA-N 0 3 315.461 3.285 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001684410209 1199382910 /nfs/dbraw/zinc/38/29/10/1199382910.db2.gz IJLFRIVGVFYTJV-DLBZAZTESA-N 0 3 305.466 3.144 20 30 DGEDHN C=CCC1(NC(=O)NC[C@H]2CCCCN2C2CC2)CCCC1 ZINC001686387047 1199561235 /nfs/dbraw/zinc/56/12/35/1199561235.db2.gz JLNQKCUAAVIOGC-MRXNPFEDSA-N 0 3 305.466 3.191 20 30 DGEDHN COc1ccc(CNCc2cccc(OCC#N)c2)cc1F ZINC000113347297 1199667491 /nfs/dbraw/zinc/66/74/91/1199667491.db2.gz LOOFEWNCTWRAGZ-UHFFFAOYSA-N 0 3 300.333 3.026 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001688895327 1199948155 /nfs/dbraw/zinc/94/81/55/1199948155.db2.gz FJMNBJRXTKDTHU-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1cc(C)ns1)C(C)C ZINC001753839046 1199989031 /nfs/dbraw/zinc/98/90/31/1199989031.db2.gz WZODUTXSTASPAQ-WBVHZDCISA-N 0 3 323.506 3.284 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C(C)(C)F ZINC001689039534 1200002648 /nfs/dbraw/zinc/00/26/48/1200002648.db2.gz YRUIFUXFMKVLJB-AAEUAGOBSA-N 0 3 304.837 3.094 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H]1CC ZINC001689184446 1200054803 /nfs/dbraw/zinc/05/48/03/1200054803.db2.gz FOEFZNSLPNXHRU-UONOGXRCSA-N 0 3 318.383 3.102 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001754026231 1200075982 /nfs/dbraw/zinc/07/59/82/1200075982.db2.gz XITPDYIGEUKEGQ-KBPBESRZSA-N 0 3 324.852 3.036 20 30 DGEDHN C[C@H](C(=O)NC/C=C/CNCc1ccc(C#N)cc1)C(C)(C)C ZINC001754138295 1200112551 /nfs/dbraw/zinc/11/25/51/1200112551.db2.gz FYXAQBYFTNHHBH-LLYBFZRZSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCC1(C(=O)NC/C=C/CNCc2ccc(C#N)cc2)CCC1 ZINC001754167131 1200120461 /nfs/dbraw/zinc/12/04/61/1200120461.db2.gz XMXAEPPTJYNISR-ONEGZZNKSA-N 0 3 323.440 3.067 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1cc(CC)c(CCC)s1 ZINC001754203903 1200130395 /nfs/dbraw/zinc/13/03/95/1200130395.db2.gz IYXGSZRWIAGFOM-HJWRWDBZSA-N 0 3 318.486 3.162 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001754223691 1200138812 /nfs/dbraw/zinc/13/88/12/1200138812.db2.gz HHVFZOVYTMHKQO-GFCCVEGCSA-N 0 3 312.866 3.189 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001754240039 1200147262 /nfs/dbraw/zinc/14/72/62/1200147262.db2.gz APAZJUWOOFLXPX-OAHLLOKOSA-N 0 3 318.436 3.098 20 30 DGEDHN CCC1(C(=O)N[C@H](C)CNCC#Cc2ccccc2)CCCC1 ZINC001754247553 1200151805 /nfs/dbraw/zinc/15/18/05/1200151805.db2.gz YHWSANPTYWSMKR-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001754264317 1200163353 /nfs/dbraw/zinc/16/33/53/1200163353.db2.gz QYWFLXMRYLSCAS-LBPRGKRZSA-N 0 3 312.866 3.189 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2sccc2Cl)C1 ZINC001754282009 1200170929 /nfs/dbraw/zinc/17/09/29/1200170929.db2.gz IWTXJURHKOKQIQ-NSHDSACASA-N 0 3 312.866 3.352 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1oc2ccc(F)cc2c1C ZINC001754313179 1200198137 /nfs/dbraw/zinc/19/81/37/1200198137.db2.gz PQCFTIUCBQMBKK-LLVKDONJSA-N 0 3 304.365 3.116 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CC1CC(c2ccccc2)C1 ZINC001754315619 1200202604 /nfs/dbraw/zinc/20/26/04/1200202604.db2.gz XSVNEZFJAAVTNM-HJOIGYKYSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNCc1nccs1 ZINC001754344835 1200237005 /nfs/dbraw/zinc/23/70/05/1200237005.db2.gz GNFOCMKOPAAAKE-KBPBESRZSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CC ZINC001754478031 1200289720 /nfs/dbraw/zinc/28/97/20/1200289720.db2.gz OIEOQYADJIHDLK-RDJZCZTQSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001754484532 1200293466 /nfs/dbraw/zinc/29/34/66/1200293466.db2.gz CGZCYMYHNWWEPQ-FUHWJXTLSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001754490181 1200300038 /nfs/dbraw/zinc/30/00/38/1200300038.db2.gz KRPDCBYTCDDWJA-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001754501689 1200317483 /nfs/dbraw/zinc/31/74/83/1200317483.db2.gz VPTQFPOUGPXFRA-RDJZCZTQSA-N 0 3 316.445 3.244 20 30 DGEDHN N#Cc1ccc(CNC2(CNC(=O)C=C3CCCCC3)CC2)cc1 ZINC001754509460 1200326426 /nfs/dbraw/zinc/32/64/26/1200326426.db2.gz JVBDRQXQRIEIKM-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001754523202 1200336774 /nfs/dbraw/zinc/33/67/74/1200336774.db2.gz NBDKSHOCQKIFPA-UHFFFAOYSA-N 0 3 304.409 3.229 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001754558061 1200363434 /nfs/dbraw/zinc/36/34/34/1200363434.db2.gz WUUPVRXKMHROLP-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001754558454 1200364557 /nfs/dbraw/zinc/36/45/57/1200364557.db2.gz SSFJTGWUHCGNPQ-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC001690022175 1200371903 /nfs/dbraw/zinc/37/19/03/1200371903.db2.gz WLBXBGGBDXTUFA-GOSISDBHSA-N 0 3 322.493 3.223 20 30 DGEDHN Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C#CC(C)C)C2)c1 ZINC001690037917 1200380063 /nfs/dbraw/zinc/38/00/63/1200380063.db2.gz VPOWAYJDWDUYIG-LJQANCHMSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001690130987 1200412302 /nfs/dbraw/zinc/41/23/02/1200412302.db2.gz MESSHXUUONJBBC-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN CC(C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CCCC1 ZINC001754646283 1200413177 /nfs/dbraw/zinc/41/31/77/1200413177.db2.gz LEWBEZDCMMFDOA-INIZCTEOSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC[C@@H]2CCCCO2)CC1 ZINC001690136365 1200416096 /nfs/dbraw/zinc/41/60/96/1200416096.db2.gz LTTQPJPBTWQZQK-SFHVURJKSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCC(=O)N1CC[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001754691124 1200448535 /nfs/dbraw/zinc/44/85/35/1200448535.db2.gz VJGGTPAJGGSFEU-ICDLMJIXSA-N 0 3 305.249 3.100 20 30 DGEDHN C=CCCCC(=O)N1CC[C@](C)(CNCc2ncc(C)s2)C1 ZINC001754704466 1200454586 /nfs/dbraw/zinc/45/45/86/1200454586.db2.gz INJFUQOIZFFTJK-QGZVFWFLSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001690209969 1200455256 /nfs/dbraw/zinc/45/52/56/1200455256.db2.gz RDDLQZVIJQSOIQ-CALCHBBNSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001690276659 1200472815 /nfs/dbraw/zinc/47/28/15/1200472815.db2.gz LQIRTLJPELDEOL-SHTZXODSSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2cc(C)ccc2C)C1 ZINC001754729779 1200475440 /nfs/dbraw/zinc/47/54/40/1200475440.db2.gz QXCXHNAXQGAOIL-FQEVSTJZSA-N 0 3 314.473 3.250 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001754731306 1200476187 /nfs/dbraw/zinc/47/61/87/1200476187.db2.gz RKPITPLVFDRXHE-HXUWFJFHSA-N 0 3 323.440 3.023 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CN(CCCF)CCC1(F)F ZINC001754744109 1200484729 /nfs/dbraw/zinc/48/47/29/1200484729.db2.gz BTGGWYOGQUXWGU-KBPBESRZSA-N 0 3 320.399 3.022 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001754786256 1200489639 /nfs/dbraw/zinc/48/96/39/1200489639.db2.gz WHTXGGJPJFBBOM-FLWCONRGSA-N 0 3 322.880 3.292 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCCC3CCCC3)[C@@H]2C1 ZINC001754874777 1200530249 /nfs/dbraw/zinc/53/02/49/1200530249.db2.gz NSWOJNNNLBUUCH-ZWKOTPCHSA-N 0 3 304.478 3.456 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001690394203 1200536761 /nfs/dbraw/zinc/53/67/61/1200536761.db2.gz VCBJBJCMRZSSOX-HFCFLWKCSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001754930517 1200540543 /nfs/dbraw/zinc/54/05/43/1200540543.db2.gz JKRBBLFQLQVFMS-WLYUNCDWSA-N 0 3 316.848 3.095 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(C)(C)CC ZINC001754946359 1200548400 /nfs/dbraw/zinc/54/84/00/1200548400.db2.gz FVDFBXXXCBGQKN-UHFFFAOYSA-N 0 3 300.446 3.194 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC23CCCC3)cc1 ZINC001754949074 1200550366 /nfs/dbraw/zinc/55/03/66/1200550366.db2.gz VQYKIQXQTJICKM-CRAIPNDOSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCC(C)(F)F)cc1 ZINC001754948090 1200550475 /nfs/dbraw/zinc/55/04/75/1200550475.db2.gz VXDRIGQNYRSOLL-CYBMUJFWSA-N 0 3 308.372 3.022 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C=C/c2ccco2)cc1 ZINC001754954326 1200554684 /nfs/dbraw/zinc/55/46/84/1200554684.db2.gz QONQSIOVMLQHBO-PCUGXKRQSA-N 0 3 322.408 3.283 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001754984764 1200570946 /nfs/dbraw/zinc/57/09/46/1200570946.db2.gz WGNATXJKTYEXGD-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccnc2C)C1 ZINC001690494615 1200593262 /nfs/dbraw/zinc/59/32/62/1200593262.db2.gz HUIKZRNCDLTUDM-FUHWJXTLSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001755031649 1200595001 /nfs/dbraw/zinc/59/50/01/1200595001.db2.gz XBXQDRVMEIDJPM-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(CCC)CCC)C1 ZINC001690502462 1200597100 /nfs/dbraw/zinc/59/71/00/1200597100.db2.gz YPMKALVZEMUZQR-SJLPKXTDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)C#CC(C)C ZINC001755076011 1200629026 /nfs/dbraw/zinc/62/90/26/1200629026.db2.gz RHTVNOICEPVBNR-FQEVSTJZSA-N 0 3 324.468 3.155 20 30 DGEDHN CC/C=C\CCN1Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2C1 ZINC001755101324 1200635478 /nfs/dbraw/zinc/63/54/78/1200635478.db2.gz ZEMILHQXYZTSMC-XVWMLYKFSA-N 0 3 311.429 3.134 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001755105973 1200638395 /nfs/dbraw/zinc/63/83/95/1200638395.db2.gz WRWAPCNOTXAEEY-BLLLJJGKSA-N 0 3 324.827 3.382 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2c3ccccc3CCN2CCC)C1 ZINC001755172334 1200678299 /nfs/dbraw/zinc/67/82/99/1200678299.db2.gz OTFLXCGCTGDYSQ-GOSISDBHSA-N 0 3 312.457 3.468 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001690674434 1200678871 /nfs/dbraw/zinc/67/88/71/1200678871.db2.gz BKMRMGDRMKZNJK-HOTGVXAUSA-N 0 3 316.420 3.271 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001755186201 1200685333 /nfs/dbraw/zinc/68/53/33/1200685333.db2.gz KHXQCQQFBYSUKO-ZTFGCOKTSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001690710442 1200687653 /nfs/dbraw/zinc/68/76/53/1200687653.db2.gz MZJUHOWPPXGQFI-FMNNIJNLSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001755198739 1200696261 /nfs/dbraw/zinc/69/62/61/1200696261.db2.gz GSEWLRKSTAPVDN-WNRNVDISSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001755198737 1200696360 /nfs/dbraw/zinc/69/63/60/1200696360.db2.gz GSEWLRKSTAPVDN-GVDBMIGSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CC(CNCc2ncc(C)s2)C1 ZINC001755216481 1200706296 /nfs/dbraw/zinc/70/62/96/1200706296.db2.gz AWEUYNWCOFRMCX-MQBCKMQZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001755213756 1200706765 /nfs/dbraw/zinc/70/67/65/1200706765.db2.gz SGHHJRHJDMUNFC-RIXNLZLZSA-N 0 3 324.877 3.089 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2nc(C)cs2)C1 ZINC001690776716 1200709644 /nfs/dbraw/zinc/70/96/44/1200709644.db2.gz BZAJYTQQZVIVNN-UONOGXRCSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001755236922 1200724734 /nfs/dbraw/zinc/72/47/34/1200724734.db2.gz MOOAWHFBYSDLDM-QWHCGFSZSA-N 0 3 319.474 3.205 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001690824528 1200737911 /nfs/dbraw/zinc/73/79/11/1200737911.db2.gz GNHUOXLWLQCRDT-IEBWSBKVSA-N 0 3 302.462 3.069 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001755294835 1200774937 /nfs/dbraw/zinc/77/49/37/1200774937.db2.gz LQZBKMNPVAFVHG-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)C/C=C\c2ccccc2)C1 ZINC001755314249 1200797530 /nfs/dbraw/zinc/79/75/30/1200797530.db2.gz DGKHQWRSRMMHSG-NLZINVLXSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)CC(F)(F)F ZINC001691798954 1200812635 /nfs/dbraw/zinc/81/26/35/1200812635.db2.gz WLGNFNIHUWRDAL-KBPBESRZSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccc(C)c(C)c1)c1ccccc1 ZINC001691801934 1200813509 /nfs/dbraw/zinc/81/35/09/1200813509.db2.gz YGLCSDPXBMOQGZ-FQEVSTJZSA-N 0 3 322.452 3.479 20 30 DGEDHN C#CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCCCC1 ZINC001691839232 1200830999 /nfs/dbraw/zinc/83/09/99/1200830999.db2.gz KXSHXMAQGNYXNC-HDICACEKSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001691842528 1200831198 /nfs/dbraw/zinc/83/11/98/1200831198.db2.gz XFGHLUKELPARBT-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001691852697 1200838732 /nfs/dbraw/zinc/83/87/32/1200838732.db2.gz KPWAPEAZCJTLFY-HXUWFJFHSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001691871015 1200850460 /nfs/dbraw/zinc/85/04/60/1200850460.db2.gz NYKJVNGRTOJWNY-VHDGCEQUSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001755384280 1200868607 /nfs/dbraw/zinc/86/86/07/1200868607.db2.gz NWUURENSIPTQBO-DLBZAZTESA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](CN(C)C[C@@H](F)CC)C2)CCC1 ZINC001691979936 1200895838 /nfs/dbraw/zinc/89/58/38/1200895838.db2.gz UOFRQYCLSUSRLN-CVEARBPZSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCCC1(C)C ZINC001755513037 1200927714 /nfs/dbraw/zinc/92/77/14/1200927714.db2.gz JEUISIKXQOANRF-KBPBESRZSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC001755524537 1200932557 /nfs/dbraw/zinc/93/25/57/1200932557.db2.gz KVOSHWPUSZMWLF-CYBMUJFWSA-N 0 3 319.836 3.409 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(N(C)Cc2ccccn2)CC1 ZINC001755532548 1200938280 /nfs/dbraw/zinc/93/82/80/1200938280.db2.gz RGNAAYMHXBXETR-INIZCTEOSA-N 0 3 315.461 3.107 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@@H]2C1(C)C ZINC001692138663 1200945939 /nfs/dbraw/zinc/94/59/39/1200945939.db2.gz CGMPJVHZQQTIJX-JQHSSLGASA-N 0 3 316.489 3.217 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001692156780 1200952709 /nfs/dbraw/zinc/95/27/09/1200952709.db2.gz SAJFGMCMONQRKC-WBVHZDCISA-N 0 3 318.486 3.329 20 30 DGEDHN CC(C)(C)N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000130434163 1200963463 /nfs/dbraw/zinc/96/34/63/1200963463.db2.gz MGCFOCZLXLZNEM-UHFFFAOYSA-N 0 3 322.250 3.241 20 30 DGEDHN C[C@@H](CN(C)C(=O)C1CCCCC1)NCC#Cc1ccccc1 ZINC001755576555 1200964392 /nfs/dbraw/zinc/96/43/92/1200964392.db2.gz WFRGQWTZDXPMNC-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN Cc1ccc(CN[C@H](C)CN(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001755586426 1200971707 /nfs/dbraw/zinc/97/17/07/1200971707.db2.gz 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ZINC001755697851 1201024868 /nfs/dbraw/zinc/02/48/68/1201024868.db2.gz CBWRZNCZUISVFS-KYCYQETNSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(Cc3ccccc3)CC2)[C@H]1C ZINC001692368512 1201041926 /nfs/dbraw/zinc/04/19/26/1201041926.db2.gz VXKAZDVNSABAOY-AEFFLSMTSA-N 0 3 312.457 3.164 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001692376563 1201043849 /nfs/dbraw/zinc/04/38/49/1201043849.db2.gz ODENEZOPAOQLCL-WNRNVDISSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccccc1OC)C(C)C ZINC001755817698 1201083537 /nfs/dbraw/zinc/08/35/37/1201083537.db2.gz VUIIIAZZNMNWLZ-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccnc(Cl)c1)C(C)(C)C ZINC001755819576 1201087063 /nfs/dbraw/zinc/08/70/63/1201087063.db2.gz CNXGYGLLUUQQDK-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C1CCN(C[C@@H](F)CC)CC1 ZINC001755848296 1201104082 /nfs/dbraw/zinc/10/40/82/1201104082.db2.gz QMQZMFBCNUEYHV-RDJZCZTQSA-N 0 3 310.457 3.145 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001755848458 1201106174 /nfs/dbraw/zinc/10/61/74/1201106174.db2.gz IOJQKMUXCODKKW-DVBCCOPCSA-N 0 3 324.468 3.025 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001755861038 1201111155 /nfs/dbraw/zinc/11/11/55/1201111155.db2.gz DWMKQBGYKXQMKO-GZNCHQMQSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC001755898572 1201125802 /nfs/dbraw/zinc/12/58/02/1201125802.db2.gz RKWWVLMNQCAQSZ-IBGZPJMESA-N 0 3 324.468 3.431 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)cc1 ZINC001698559681 1201230946 /nfs/dbraw/zinc/23/09/46/1201230946.db2.gz PYIOGWQSXJKAQJ-YJBOKZPZSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2)C1 ZINC001698565912 1201235670 /nfs/dbraw/zinc/23/56/70/1201235670.db2.gz IPGWLXGKOCLJRU-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C/C=C\Cc2ccccc2)C1 ZINC001698583913 1201257092 /nfs/dbraw/zinc/25/70/92/1201257092.db2.gz 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/nfs/dbraw/zinc/36/00/96/1201360096.db2.gz GQFIHMPHSRPJMG-RUCARUNLSA-N 0 3 312.457 3.242 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001698727730 1201368250 /nfs/dbraw/zinc/36/82/50/1201368250.db2.gz NCZFXNRMHYLJTP-OAHLLOKOSA-N 0 3 306.837 3.387 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001698732555 1201372474 /nfs/dbraw/zinc/37/24/74/1201372474.db2.gz XGFRIBZXCJOLGB-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H](C)n2cccc2)CCCC1 ZINC001698806230 1201438171 /nfs/dbraw/zinc/43/81/71/1201438171.db2.gz MHOZHRUOXVKSTR-OAHLLOKOSA-N 0 3 323.868 3.210 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001698820665 1201469805 /nfs/dbraw/zinc/46/98/05/1201469805.db2.gz DFBJYEPOVIOYBI-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001698838646 1201492702 /nfs/dbraw/zinc/49/27/02/1201492702.db2.gz WTPOSQABYCTRRZ-NSHDSACASA-N 0 3 307.265 3.344 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001698868857 1201527310 /nfs/dbraw/zinc/52/73/10/1201527310.db2.gz BZZMBHQSRJDNDP-HKUYNNGSSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ncccc1C ZINC001698911024 1201571114 /nfs/dbraw/zinc/57/11/14/1201571114.db2.gz ZOBPXHPYOCRJGX-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CCNCc1cnoc1C ZINC001698915865 1201573324 /nfs/dbraw/zinc/57/33/24/1201573324.db2.gz DVQSURWKYIYMDQ-QGZVFWFLSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC(C)(C)C1)C(C)C ZINC001698971301 1201624727 /nfs/dbraw/zinc/62/47/27/1201624727.db2.gz HDWCQSZXCHRAAU-UONOGXRCSA-N 0 3 300.874 3.296 20 30 DGEDHN CC(C)[C@H](CNC(=O)C1(C)CC=CC1)NCC#Cc1ccccc1 ZINC001698970627 1201626520 /nfs/dbraw/zinc/62/65/20/1201626520.db2.gz BFEGVERKJTVJHI-IBGZPJMESA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1coc2c1cccc2C ZINC001698988620 1201652415 /nfs/dbraw/zinc/65/24/15/1201652415.db2.gz IOIHZKKRXZCXFK-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cccc(C2CCCC2)c1 ZINC001699214663 1201757924 /nfs/dbraw/zinc/75/79/24/1201757924.db2.gz PCYXQYJMOVRSAN-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C#CCC1(C(=O)N(CC)CCNC/C=C\Cl)CCCCC1 ZINC001699220912 1201759948 /nfs/dbraw/zinc/75/99/48/1201759948.db2.gz VAMPQDMLTPIMHH-WQLSENKSSA-N 0 3 310.869 3.151 20 30 DGEDHN C#CCN(CCCNC(=O)c1coc2cc(C)c(C)cc12)C1CC1 ZINC001752268875 1201815193 /nfs/dbraw/zinc/81/51/93/1201815193.db2.gz INBWNHPSJYWZKI-UHFFFAOYSA-N 0 3 324.424 3.267 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C1CCN(CCOCC(C)C)CC1 ZINC001752308517 1201826939 /nfs/dbraw/zinc/82/69/39/1201826939.db2.gz JJSLYCDQPWTIMH-UHFFFAOYSA-N 0 3 324.509 3.184 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001752435088 1201837064 /nfs/dbraw/zinc/83/70/64/1201837064.db2.gz MPDQLHXOANFXSI-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccc(F)cn2)CC1 ZINC001752433654 1201837550 /nfs/dbraw/zinc/83/75/50/1201837550.db2.gz OCMANZFAERGUSR-UHFFFAOYSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cccc(F)c2F)CC1 ZINC001752439971 1201839225 /nfs/dbraw/zinc/83/92/25/1201839225.db2.gz RALHBQXGRRAORW-UHFFFAOYSA-N 0 3 322.399 3.467 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](N[C@@H](C)c1ccccc1F)C1CC1 ZINC001752462338 1201846213 /nfs/dbraw/zinc/84/62/13/1201846213.db2.gz DAZSAVLWPJXJBZ-KBXCAEBGSA-N 0 3 316.420 3.031 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc2cc[nH]c2c1 ZINC001699443147 1201880054 /nfs/dbraw/zinc/88/00/54/1201880054.db2.gz CEPPSKQSXWTWRH-HNNXBMFYSA-N 0 3 313.445 3.461 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)/C=C/C(C)(C)C ZINC001699447584 1201885488 /nfs/dbraw/zinc/88/54/88/1201885488.db2.gz ZLXXDZMROGOVJZ-AUECHBEKSA-N 0 3 313.445 3.097 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)=C(C)C)C1 ZINC001752708680 1201898220 /nfs/dbraw/zinc/89/82/20/1201898220.db2.gz VSMSEPCSDYWQOH-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001699466490 1201908431 /nfs/dbraw/zinc/90/84/31/1201908431.db2.gz AXGWRAPVILVHFR-SJLPKXTDSA-N 0 3 302.462 3.439 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2cnccc21 ZINC001699551520 1201946648 /nfs/dbraw/zinc/94/66/48/1201946648.db2.gz SPQMVLGEKFAUAM-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](CCCC)C(C)C ZINC001752825039 1201953723 /nfs/dbraw/zinc/95/37/23/1201953723.db2.gz KJBXHQZCXKYFSP-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001699622196 1201984248 /nfs/dbraw/zinc/98/42/48/1201984248.db2.gz PZTFBXOLIBOEIX-INIZCTEOSA-N 0 3 315.461 3.149 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001699625470 1201987759 /nfs/dbraw/zinc/98/77/59/1201987759.db2.gz DJYRFYCGVKKTMX-HNNXBMFYSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001699623892 1201988411 /nfs/dbraw/zinc/98/84/11/1201988411.db2.gz MSZQHUQCUPNBRU-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001699635588 1202000568 /nfs/dbraw/zinc/00/05/68/1202000568.db2.gz WOHMPAANMAXMAO-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001752967551 1202028143 /nfs/dbraw/zinc/02/81/43/1202028143.db2.gz GARQJTLQYRTFFD-KBPBESRZSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001752978825 1202033612 /nfs/dbraw/zinc/03/36/12/1202033612.db2.gz SDCRDMPXPZFKKV-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001752991056 1202041369 /nfs/dbraw/zinc/04/13/69/1202041369.db2.gz MBYYXEKCKZENHU-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ncc(C)s2)C[C@@H]1C ZINC001699740761 1202061849 /nfs/dbraw/zinc/06/18/49/1202061849.db2.gz ZETRVKCZOZHRIT-DZGCQCFKSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCCC(=O)NCCC[C@H]1CCCN1Cc1ccc(F)cn1 ZINC001753023539 1202066474 /nfs/dbraw/zinc/06/64/74/1202066474.db2.gz XADWMWISYUIMFH-KRWDZBQOSA-N 0 3 319.424 3.048 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001753046715 1202080775 /nfs/dbraw/zinc/08/07/75/1202080775.db2.gz YXJVVFATPWBVCC-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN Cc1cccc(CN2CC[C@](C)(NC(=O)C#CC(C)(C)C)C2)c1 ZINC001699814800 1202092977 /nfs/dbraw/zinc/09/29/77/1202092977.db2.gz GEZWKFZNFGQBDH-FQEVSTJZSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001699818034 1202095011 /nfs/dbraw/zinc/09/50/11/1202095011.db2.gz BYYPCTZHDOEUCN-SCLBCKFNSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001753087310 1202118283 /nfs/dbraw/zinc/11/82/83/1202118283.db2.gz ZTLRXFXTHFPJAO-IBGZPJMESA-N 0 3 313.445 3.099 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN2Cc2ccc(C)cc2)C1 ZINC001753111623 1202140975 /nfs/dbraw/zinc/14/09/75/1202140975.db2.gz LUANJBCCQNLJIX-GOSISDBHSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001753113528 1202144314 /nfs/dbraw/zinc/14/43/14/1202144314.db2.gz PMKIZMUVVMOKQD-QZTJIDSGSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001753115826 1202144967 /nfs/dbraw/zinc/14/49/67/1202144967.db2.gz ZTEKREMIQXOCEO-QAPCUYQASA-N 0 3 300.446 3.119 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001699985377 1202158135 /nfs/dbraw/zinc/15/81/35/1202158135.db2.gz ZAEWORAWMJDRDG-HXUWFJFHSA-N 0 3 324.468 3.375 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001753145638 1202162519 /nfs/dbraw/zinc/16/25/19/1202162519.db2.gz PJWCFJPVVVEULD-UHFFFAOYSA-N 0 3 314.420 3.054 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CCC)C(C)C ZINC001700013762 1202163903 /nfs/dbraw/zinc/16/39/03/1202163903.db2.gz RPHKZXFYHLIZON-KZNAEPCWSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CCC)C(C)C ZINC001700013761 1202164091 /nfs/dbraw/zinc/16/40/91/1202164091.db2.gz RPHKZXFYHLIZON-FGTMMUONSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC001700080272 1202174497 /nfs/dbraw/zinc/17/44/97/1202174497.db2.gz VGPHBLOUUXNGJQ-HOCLYGCPSA-N 0 3 324.827 3.278 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC001700092743 1202178306 /nfs/dbraw/zinc/17/83/06/1202178306.db2.gz VQNHCRHVPQXPTF-MRXNPFEDSA-N 0 3 320.864 3.498 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cocc2C)cc1 ZINC001700094131 1202178333 /nfs/dbraw/zinc/17/83/33/1202178333.db2.gz GCUZPZUDVDAMNY-OAHLLOKOSA-N 0 3 310.397 3.192 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H]2CC=CCC2)cc1 ZINC001700094871 1202179131 /nfs/dbraw/zinc/17/91/31/1202179131.db2.gz OLIYLISUOVKXCN-SJORKVTESA-N 0 3 310.441 3.333 20 30 DGEDHN CC[C@H](NCCN(C)C(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001753187545 1202182060 /nfs/dbraw/zinc/18/20/60/1202182060.db2.gz LOPYEOPHOGTHNI-KRWDZBQOSA-N 0 3 322.399 3.123 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001753193781 1202183032 /nfs/dbraw/zinc/18/30/32/1202183032.db2.gz DOUISOISRGPPDM-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN CC[C@@H](C)CC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001700131079 1202187857 /nfs/dbraw/zinc/18/78/57/1202187857.db2.gz MZPSOMCRQAKQNR-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](F)CC)c1ccc(C(C)C)cc1 ZINC001753294073 1202197852 /nfs/dbraw/zinc/19/78/52/1202197852.db2.gz DCEGQFPTBAPNLY-DLBZAZTESA-N 0 3 306.425 3.491 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1ccccc1 ZINC001753305113 1202201865 /nfs/dbraw/zinc/20/18/65/1202201865.db2.gz KKQJOHKRMSKOMR-QRQLOZEOSA-N 0 3 310.441 3.226 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC001700192959 1202205561 /nfs/dbraw/zinc/20/55/61/1202205561.db2.gz IBJXZJYENIUJEK-UHFFFAOYSA-N 0 3 306.494 3.397 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001753317477 1202206491 /nfs/dbraw/zinc/20/64/91/1202206491.db2.gz OSBXFTQVEYRYBA-YDZRNGNQSA-N 0 3 316.489 3.478 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2ccc(F)cc2)C1 ZINC001753324190 1202211079 /nfs/dbraw/zinc/21/10/79/1202211079.db2.gz ZHBQOINSVZEOEQ-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC(=C)C ZINC001700227911 1202216361 /nfs/dbraw/zinc/21/63/61/1202216361.db2.gz QJKSLIULEQBALD-HXUWFJFHSA-N 0 3 324.468 3.299 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccc(F)cc2)C(C)(C)C1 ZINC001700290816 1202227948 /nfs/dbraw/zinc/22/79/48/1202227948.db2.gz RJEVRNXMLVNYRQ-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1ncc(C)s1 ZINC001700324221 1202237273 /nfs/dbraw/zinc/23/72/73/1202237273.db2.gz FBLIEFQTDXDHJV-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN CCCCCCCN1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001753388431 1202237893 /nfs/dbraw/zinc/23/78/93/1202237893.db2.gz DLEVWUBPMUMEPN-GOSISDBHSA-N 0 3 323.525 3.020 20 30 DGEDHN CCCCC(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001700343624 1202242699 /nfs/dbraw/zinc/24/26/99/1202242699.db2.gz NNILDFQECMQJFM-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CCCc2ccccc2C)C1 ZINC001753407457 1202244097 /nfs/dbraw/zinc/24/40/97/1202244097.db2.gz KKJSWDMBXPWYQO-UHFFFAOYSA-N 0 3 314.473 3.188 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCCc2ccccc21 ZINC001753420349 1202247868 /nfs/dbraw/zinc/24/78/68/1202247868.db2.gz TXTWHYFOQWJTSU-BJLQDIEVSA-N 0 3 322.452 3.153 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](C=C)c1ccccc1 ZINC001700362732 1202249710 /nfs/dbraw/zinc/24/97/10/1202249710.db2.gz DJDZMECMIGXAEL-PKOBYXMFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)c(CC)s1 ZINC001700366416 1202252708 /nfs/dbraw/zinc/25/27/08/1202252708.db2.gz VOWSJANFDLZLTN-AWEZNQCLSA-N 0 3 306.475 3.341 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001700376325 1202254562 /nfs/dbraw/zinc/25/45/62/1202254562.db2.gz JDYXAHJPVHEOBQ-UHFFFAOYSA-N 0 3 323.849 3.080 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001700384112 1202256862 /nfs/dbraw/zinc/25/68/62/1202256862.db2.gz FRUANOPVEVQMAT-HUUCEWRRSA-N 0 3 320.864 3.220 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1)CC ZINC001700389478 1202259012 /nfs/dbraw/zinc/25/90/12/1202259012.db2.gz ARGLHGKCVAKMRY-IRXDYDNUSA-N 0 3 312.457 3.267 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)c1F ZINC001700396707 1202261354 /nfs/dbraw/zinc/26/13/54/1202261354.db2.gz YAYMLGNMCKEHDQ-NWDGAFQWSA-N 0 3 312.816 3.428 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1scnc1C ZINC001700399336 1202262189 /nfs/dbraw/zinc/26/21/89/1202262189.db2.gz CWQNXMPBRGDTLT-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN C/C=C(/C)C(=O)NC[C@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001753470203 1202267721 /nfs/dbraw/zinc/26/77/21/1202267721.db2.gz OJRDQEBGDAUIFT-SHDIAVBESA-N 0 3 318.848 3.142 20 30 DGEDHN CC[C@H](CNC(=O)[C@H]1CCC1(C)C)NCc1ccc(C#N)s1 ZINC001753482844 1202271304 /nfs/dbraw/zinc/27/13/04/1202271304.db2.gz HIFMCHSAZNPZAU-IUODEOHRSA-N 0 3 319.474 3.040 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001753491765 1202273643 /nfs/dbraw/zinc/27/36/43/1202273643.db2.gz ZHCRUPMGXADXJQ-OALUTQOASA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(C)CCC(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001753518654 1202281564 /nfs/dbraw/zinc/28/15/64/1202281564.db2.gz MYSFLNNSUVYMON-NRFANRHFSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccco2)CCCC[C@H]1C ZINC001753529819 1202283892 /nfs/dbraw/zinc/28/38/92/1202283892.db2.gz KVVAKLIIXCIQOB-WBMJQRKESA-N 0 3 310.825 3.300 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001753558440 1202288574 /nfs/dbraw/zinc/28/85/74/1202288574.db2.gz CPKOGAQRWWTWOS-AWEZNQCLSA-N 0 3 324.896 3.393 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)CN[C@H](C)c1c(F)cccc1F ZINC001753612690 1202299953 /nfs/dbraw/zinc/29/99/53/1202299953.db2.gz JGINPLRUNUIQPG-UONOGXRCSA-N 0 3 322.399 3.027 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001700543805 1202310666 /nfs/dbraw/zinc/31/06/66/1202310666.db2.gz RGZNXGDGVSSTTD-AWEZNQCLSA-N 0 3 320.864 3.204 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001700578381 1202318379 /nfs/dbraw/zinc/31/83/79/1202318379.db2.gz OECQQTYKQHFELR-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)(F)F)C[C@@H]2C1 ZINC001700614417 1202322012 /nfs/dbraw/zinc/32/20/12/1202322012.db2.gz FWTPKBDFZAYRBX-YNEHKIRRSA-N 0 3 320.811 3.001 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001700616308 1202322978 /nfs/dbraw/zinc/32/29/78/1202322978.db2.gz MGSLJRXSZSLSOU-FZJXMKQTSA-N 0 3 322.880 3.478 20 30 DGEDHN C=C(C)C[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001753744912 1202327657 /nfs/dbraw/zinc/32/76/57/1202327657.db2.gz QJKHXRGUFFWKFR-KRWDZBQOSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C(F)F)o1 ZINC001700686121 1202333984 /nfs/dbraw/zinc/33/39/84/1202333984.db2.gz WCZKAKQYEWJTSP-JTQLQIEISA-N 0 3 320.767 3.458 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1ccccc1F)C1CC1 ZINC001700721358 1202342833 /nfs/dbraw/zinc/34/28/33/1202342833.db2.gz IXRAISCNGCXJJJ-KRWDZBQOSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001700766872 1202351360 /nfs/dbraw/zinc/35/13/60/1202351360.db2.gz IHACEHOIULXXEC-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC001700779787 1202353790 /nfs/dbraw/zinc/35/37/90/1202353790.db2.gz FTFNYFYAAUYVOY-JKSUJKDBSA-N 0 3 300.446 3.274 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001700812075 1202354828 /nfs/dbraw/zinc/35/48/28/1202354828.db2.gz MQXVSNSKSLSKIS-BLLLJJGKSA-N 0 3 308.372 3.010 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](NCc2ccc(Cl)s2)C[C@@H]1C ZINC001700836999 1202357554 /nfs/dbraw/zinc/35/75/54/1202357554.db2.gz CLSKLXVTBCFQON-QWHCGFSZSA-N 0 3 324.877 3.140 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc(F)cc(F)c2)C(C)(C)C1 ZINC001700912658 1202369172 /nfs/dbraw/zinc/36/91/72/1202369172.db2.gz PCHJREUKFPFZDI-MRXNPFEDSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CCc2ccccc21)C(C)C ZINC001700975126 1202374592 /nfs/dbraw/zinc/37/45/92/1202374592.db2.gz KGDSHPGFLRTHBA-SFHVURJKSA-N 0 3 314.473 3.461 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)c1ccccc1C)C(C)C ZINC001700979625 1202375791 /nfs/dbraw/zinc/37/57/91/1202375791.db2.gz FESFLHCKKUVGNH-SFHVURJKSA-N 0 3 314.473 3.291 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCCC1(C)C)C(C)C ZINC001700981712 1202376202 /nfs/dbraw/zinc/37/62/02/1202376202.db2.gz WUZIBXRZDDTRDX-KRWDZBQOSA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001701006381 1202379918 /nfs/dbraw/zinc/37/99/18/1202379918.db2.gz GQAKNWUAVNXWDP-HUUCEWRRSA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001701012915 1202381217 /nfs/dbraw/zinc/38/12/17/1202381217.db2.gz RNIXVDBAJOJXID-WMZOPIPTSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)c(F)c1 ZINC001701068226 1202386632 /nfs/dbraw/zinc/38/66/32/1202386632.db2.gz ZIJMQIWDHKAGNW-HZPDHXFCSA-N 0 3 304.409 3.010 20 30 DGEDHN C=CCCCn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001705811350 1202566322 /nfs/dbraw/zinc/56/63/22/1202566322.db2.gz WJDJFIUYNUDVQU-HOTGVXAUSA-N 0 3 319.497 3.287 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)co1 ZINC001707046984 1202568758 /nfs/dbraw/zinc/56/87/58/1202568758.db2.gz ANGDNYJZFHNLBG-INIZCTEOSA-N 0 3 304.434 3.481 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001707052609 1202569824 /nfs/dbraw/zinc/56/98/24/1202569824.db2.gz WDINSOXIWULEPK-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001707057591 1202570586 /nfs/dbraw/zinc/57/05/86/1202570586.db2.gz YXCWILCFCZQJLA-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001707062405 1202571148 /nfs/dbraw/zinc/57/11/48/1202571148.db2.gz NAPNNDWGARVUQK-CHWSQXEVSA-N 0 3 310.438 3.388 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC001707153748 1202574691 /nfs/dbraw/zinc/57/46/91/1202574691.db2.gz SWHKJFNAXGVWTR-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](F)CC ZINC001707172397 1202575174 /nfs/dbraw/zinc/57/51/74/1202575174.db2.gz CEYGWNFCHNCDSI-VHDGCEQUSA-N 0 3 318.864 3.484 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)[C@H]1CC ZINC001707200667 1202576620 /nfs/dbraw/zinc/57/66/20/1202576620.db2.gz LMSYZOVVLCGRNF-GBESFXJTSA-N 0 3 314.473 3.410 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1C ZINC001707260707 1202578947 /nfs/dbraw/zinc/57/89/47/1202578947.db2.gz AHBOWEHTNDNIDB-NZSAHSFTSA-N 0 3 312.457 3.029 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(C)Cc2cccnc2C)CC1 ZINC001707402885 1202582987 /nfs/dbraw/zinc/58/29/87/1202582987.db2.gz VAVFBNRBTMVVGP-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2cc(F)ccc2s1 ZINC001707421459 1202583757 /nfs/dbraw/zinc/58/37/57/1202583757.db2.gz PFGLLPZIUIFYLX-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC=CCC1 ZINC001707434656 1202584514 /nfs/dbraw/zinc/58/45/14/1202584514.db2.gz NUXITVDVMOYQSM-HXUWFJFHSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1ccc(Cl)nc1 ZINC001707457646 1202586297 /nfs/dbraw/zinc/58/62/97/1202586297.db2.gz AUGILKRAGYBSJA-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(Br)CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000151937896 1202593247 /nfs/dbraw/zinc/59/32/47/1202593247.db2.gz IKWXXZJDZJTCOY-ZFWWWQNUSA-N 0 3 309.251 3.320 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccccc1C(C)(C)CC ZINC001712953981 1202606301 /nfs/dbraw/zinc/60/63/01/1202606301.db2.gz BBRSJCYQCPACMB-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cnc(C)s1 ZINC001712994780 1202608796 /nfs/dbraw/zinc/60/87/96/1202608796.db2.gz TWRQBAHSECEBIS-XJKSGUPXSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001713000847 1202609254 /nfs/dbraw/zinc/60/92/54/1202609254.db2.gz WFUFLYOKYHHYCE-RYUDHWBXSA-N 0 3 308.800 3.143 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001713000613 1202609261 /nfs/dbraw/zinc/60/92/61/1202609261.db2.gz UGPROQHBJMCHBI-AALSBFMBSA-N 0 3 310.869 3.144 20 30 DGEDHN C#CCN(CCCNC(=O)CC1(C=C)CCCCC1)C1CC1 ZINC001713045985 1202612523 /nfs/dbraw/zinc/61/25/23/1202612523.db2.gz NSLJHCOJMKUXDY-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCCC(=O)N(C)C1CCN(Cc2cccc(OC)c2)CC1 ZINC001713052020 1202612897 /nfs/dbraw/zinc/61/28/97/1202612897.db2.gz XSTGVYQRZXUQNO-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001713052797 1202612909 /nfs/dbraw/zinc/61/29/09/1202612909.db2.gz OWMHMSRSQPLLFA-UHFFFAOYSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001713085349 1202615410 /nfs/dbraw/zinc/61/54/10/1202615410.db2.gz KKJBFWAOSAENMI-AWEZNQCLSA-N 0 3 322.474 3.307 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)[C@@H]2CCCO2)CC1 ZINC001713101372 1202617250 /nfs/dbraw/zinc/61/72/50/1202617250.db2.gz SFBLJELCLMJVOW-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166103 1202623421 /nfs/dbraw/zinc/62/34/21/1202623421.db2.gz IXUBWLPGIPXXEP-GSEOLPGOSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001713169177 1202623609 /nfs/dbraw/zinc/62/36/09/1202623609.db2.gz AVAAGNBFPVAZEW-SHTZXODSSA-N 0 3 322.399 3.304 20 30 DGEDHN CC[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713168067 1202623640 /nfs/dbraw/zinc/62/36/40/1202623640.db2.gz VHDKNBWJSBRINN-LWYYNNOASA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CC/C=C\c2ccccc2)C1 ZINC001713219716 1202628372 /nfs/dbraw/zinc/62/83/72/1202628372.db2.gz VPGKGINCNSLKGE-SUJSUNJESA-N 0 3 324.468 3.332 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001713223104 1202628821 /nfs/dbraw/zinc/62/88/21/1202628821.db2.gz RXHYNVBYERZOKO-ICSRJNTNSA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001713251867 1202631380 /nfs/dbraw/zinc/63/13/80/1202631380.db2.gz MWBYWYSUAYLTHW-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC(C)=O ZINC001713269828 1202633475 /nfs/dbraw/zinc/63/34/75/1202633475.db2.gz KZZNFRMMZCUAOU-MSOLQXFVSA-N 0 3 320.477 3.167 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001713408650 1202646748 /nfs/dbraw/zinc/64/67/48/1202646748.db2.gz WRIAFULWXVSFCP-HZSPNIEDSA-N 0 3 300.874 3.296 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](OC)c1ccc(F)cc1 ZINC000237092318 1202646547 /nfs/dbraw/zinc/64/65/47/1202646547.db2.gz YEZNREBHQMDUAN-IBGZPJMESA-N 0 3 313.372 3.315 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2cccnc21 ZINC001713411882 1202647115 /nfs/dbraw/zinc/64/71/15/1202647115.db2.gz VFXDSGJVJMQQOG-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccn(C(C)C)c1C ZINC001713414757 1202647215 /nfs/dbraw/zinc/64/72/15/1202647215.db2.gz LNYDDTNDLVZQHC-CYBMUJFWSA-N 0 3 311.857 3.228 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1ccsc1 ZINC001713415706 1202647428 /nfs/dbraw/zinc/64/74/28/1202647428.db2.gz HYOACHWQSAIABT-RYUDHWBXSA-N 0 3 300.855 3.089 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1ccccc1C ZINC001713422058 1202647960 /nfs/dbraw/zinc/64/79/60/1202647960.db2.gz DWYQGVYYNNNWQK-GJZGRUSLSA-N 0 3 308.853 3.335 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001713476281 1202655932 /nfs/dbraw/zinc/65/59/32/1202655932.db2.gz YVGDTXDPNIUIQO-ZDUSSCGKSA-N 0 3 306.475 3.111 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001713511070 1202662815 /nfs/dbraw/zinc/66/28/15/1202662815.db2.gz MMPBFRIDIDDFGY-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(c2ccccc2C)CCC1 ZINC001713518688 1202664157 /nfs/dbraw/zinc/66/41/57/1202664157.db2.gz KDWUIKASVLYNTN-SFHVURJKSA-N 0 3 324.468 3.021 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1ccc(Cl)s1 ZINC001713519125 1202664181 /nfs/dbraw/zinc/66/41/81/1202664181.db2.gz STBRWDAGXGUILK-GFCCVEGCSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001713524393 1202664793 /nfs/dbraw/zinc/66/47/93/1202664793.db2.gz SXBUMFPXBFJXMM-OAHLLOKOSA-N 0 3 304.409 3.038 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cccc(C)c1F)c1ccccc1 ZINC001713703105 1202678975 /nfs/dbraw/zinc/67/89/75/1202678975.db2.gz WJKTXLMQKNYQRJ-GOSISDBHSA-N 0 3 324.399 3.218 20 30 DGEDHN CC/C(C)=C/C(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001713728499 1202683198 /nfs/dbraw/zinc/68/31/98/1202683198.db2.gz NWUYXPZEQBKYKX-BONDDZEJSA-N 0 3 324.468 3.223 20 30 DGEDHN Cc1ccc(CN2CCC(N(C)C(=O)C#CC(C)C)CC2)cc1 ZINC001713779338 1202689608 /nfs/dbraw/zinc/68/96/08/1202689608.db2.gz VAJFCMSNZXNYNO-UHFFFAOYSA-N 0 3 312.457 3.077 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC001713780704 1202689817 /nfs/dbraw/zinc/68/98/17/1202689817.db2.gz QERUVMQYFFWXDV-MRXNPFEDSA-N 0 3 321.440 3.385 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC001713851422 1202695727 /nfs/dbraw/zinc/69/57/27/1202695727.db2.gz YRSCDZSSJVMTRP-MJGOQNOKSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1cc(C)ccc1F)C1CC1 ZINC001713867281 1202697178 /nfs/dbraw/zinc/69/71/78/1202697178.db2.gz DPCRQJOCCXZNKA-GOSISDBHSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001713909566 1202701435 /nfs/dbraw/zinc/70/14/35/1202701435.db2.gz HUKYLNOPOOXPTE-MWDXBVQZSA-N 0 3 304.478 3.453 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCOC ZINC001713912677 1202701687 /nfs/dbraw/zinc/70/16/87/1202701687.db2.gz GPYJGEIXYREIMU-XDNAFOTISA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccc1 ZINC001713912758 1202701728 /nfs/dbraw/zinc/70/17/28/1202701728.db2.gz KAUACYRNHMKFIE-KURKYZTESA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001713933267 1202703481 /nfs/dbraw/zinc/70/34/81/1202703481.db2.gz PGJJVYJHEBNFAI-RDBSUJKOSA-N 0 3 313.401 3.014 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001713936000 1202703845 /nfs/dbraw/zinc/70/38/45/1202703845.db2.gz LUXXVEBZGLRWAU-NJAFHUGGSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001713968094 1202709521 /nfs/dbraw/zinc/70/95/21/1202709521.db2.gz CVBCPJGBSMGIMC-KKUMJFAQSA-N 0 3 300.874 3.438 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001714000678 1202721171 /nfs/dbraw/zinc/72/11/71/1202721171.db2.gz GYLOLDPKCRVWOH-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001714002061 1202722582 /nfs/dbraw/zinc/72/25/82/1202722582.db2.gz NRGTWMVBTFPVJF-FPMFFAJLSA-N 0 3 322.399 3.475 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001714007097 1202724088 /nfs/dbraw/zinc/72/40/88/1202724088.db2.gz HKELDFHKXCPQBK-KNXALSJPSA-N 0 3 324.827 3.309 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001714007099 1202724457 /nfs/dbraw/zinc/72/44/57/1202724457.db2.gz HKELDFHKXCPQBK-LYRGGWFBSA-N 0 3 324.827 3.309 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001714017762 1202729614 /nfs/dbraw/zinc/72/96/14/1202729614.db2.gz FHDISULMXPTNBP-CABCVRRESA-N 0 3 304.409 3.038 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(CC(C)C)CCCC2)C1 ZINC001714017509 1202729866 /nfs/dbraw/zinc/72/98/66/1202729866.db2.gz BUGGARICFQTRKQ-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccccc2F)C1 ZINC001714017765 1202730696 /nfs/dbraw/zinc/73/06/96/1202730696.db2.gz FHDISULMXPTNBP-LSDHHAIUSA-N 0 3 304.409 3.038 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001714023929 1202733836 /nfs/dbraw/zinc/73/38/36/1202733836.db2.gz ARDFXHVHTAPMFO-MOPGFXCFSA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001714034891 1202742291 /nfs/dbraw/zinc/74/22/91/1202742291.db2.gz BFDVNGLIZIBERC-MSOLQXFVSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001714048096 1202750631 /nfs/dbraw/zinc/75/06/31/1202750631.db2.gz JVAPBQSIGLABES-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN CCN(C(=O)CC#Cc1ccccc1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001714053950 1202755368 /nfs/dbraw/zinc/75/53/68/1202755368.db2.gz QUFNUPMGGCLYAF-HXUWFJFHSA-N 0 3 324.468 3.317 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1cnc(C)s1 ZINC001714103477 1202777050 /nfs/dbraw/zinc/77/70/50/1202777050.db2.gz FOAWWDKLOOIMHN-CZUORRHYSA-N 0 3 309.479 3.038 20 30 DGEDHN Cc1ccc(CN2CCCC[C@@H]2CNC(=O)C#CC2CC2)c(C)c1 ZINC001714105200 1202778655 /nfs/dbraw/zinc/77/86/55/1202778655.db2.gz YYZNXWXPBZZZDC-HXUWFJFHSA-N 0 3 324.468 3.188 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001714104590 1202778785 /nfs/dbraw/zinc/77/87/85/1202778785.db2.gz SQCZPINLLLAJJJ-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1CCCC[C@@H]1CNC(=O)c1nccs1 ZINC001714113406 1202785198 /nfs/dbraw/zinc/78/51/98/1202785198.db2.gz AENULOWATMNIDQ-OAHLLOKOSA-N 0 3 321.490 3.474 20 30 DGEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001714118314 1202788181 /nfs/dbraw/zinc/78/81/81/1202788181.db2.gz OTPGRAKZTXRPQK-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN O=C(C1CCCC1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001714119646 1202789188 /nfs/dbraw/zinc/78/91/88/1202789188.db2.gz KQANTVLZSYFBRA-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCC=C(Cl)Cl ZINC001714123774 1202790752 /nfs/dbraw/zinc/79/07/52/1202790752.db2.gz UFCJRZVVBJXMND-GFCCVEGCSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2ccc(F)cn2)CCCC1 ZINC001714140500 1202798014 /nfs/dbraw/zinc/79/80/14/1202798014.db2.gz MCSVIGFEXDNEMV-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CC#CC ZINC001714144009 1202799888 /nfs/dbraw/zinc/79/98/88/1202799888.db2.gz ISUJTOQGCDDRPU-ZWKOTPCHSA-N 0 3 302.462 3.212 20 30 DGEDHN C=C(C)CCC(=O)N[C@@](C)(CNCc1c(C)noc1C)C1CC1 ZINC001714165853 1202812748 /nfs/dbraw/zinc/81/27/48/1202812748.db2.gz YOQPZKNZWAAZRC-SFHVURJKSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001714237673 1202842830 /nfs/dbraw/zinc/84/28/30/1202842830.db2.gz GJJBAAYJWAARRE-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc[nH]c2CCC)cc1 ZINC001714321444 1202881415 /nfs/dbraw/zinc/88/14/15/1202881415.db2.gz XVAGSOZNBIAVQT-UHFFFAOYSA-N 0 3 323.440 3.010 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001714415062 1202919723 /nfs/dbraw/zinc/91/97/23/1202919723.db2.gz ZSWCUKKIVXFLPR-KBPBESRZSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC001714499807 1202965188 /nfs/dbraw/zinc/96/51/88/1202965188.db2.gz ICGRVKMBENDHOT-DZGCQCFKSA-N 0 3 308.853 3.102 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001714611507 1203047971 /nfs/dbraw/zinc/04/79/71/1203047971.db2.gz GJFWFEMBWZWWAP-INIZCTEOSA-N 0 3 306.475 3.493 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001714618251 1203052951 /nfs/dbraw/zinc/05/29/51/1203052951.db2.gz GIOPGTLFEUKKMV-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CN(CCNC(=O)C/C=C/c1ccc(F)cc1)C1CC1 ZINC001714664777 1203088870 /nfs/dbraw/zinc/08/88/70/1203088870.db2.gz FRBCGLOUTXCSMD-ONEGZZNKSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(C2CC2)oc1C1CC1)C1CC1 ZINC001714667093 1203090177 /nfs/dbraw/zinc/09/01/77/1203090177.db2.gz MYUKAQBPJVKEJY-UHFFFAOYSA-N 0 3 314.429 3.415 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001714753981 1203118451 /nfs/dbraw/zinc/11/84/51/1203118451.db2.gz WPJWYIOTGNZNAS-SFHVURJKSA-N 0 3 306.425 3.284 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2cnccc2C)CCCC1 ZINC001714802177 1203130927 /nfs/dbraw/zinc/13/09/27/1203130927.db2.gz LSTMSLXUBUCNLW-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1occ2c1CCC2)c1ccccc1 ZINC001714837711 1203146819 /nfs/dbraw/zinc/14/68/19/1203146819.db2.gz JYQUUSBGWOGVDC-QGZVFWFLSA-N 0 3 310.397 3.015 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NC[C@H](C)OC)c1ccccc1 ZINC001714839895 1203147661 /nfs/dbraw/zinc/14/76/61/1203147661.db2.gz TWESOMLTBYBFOK-DOTOQJQBSA-N 0 3 318.461 3.071 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc2occc2[nH]1)c1ccccc1 ZINC001714842690 1203148769 /nfs/dbraw/zinc/14/87/69/1203148769.db2.gz DHDHUBXHGSEBOI-INIZCTEOSA-N 0 3 309.369 3.008 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccc(F)cc2)C1 ZINC001714853164 1203153144 /nfs/dbraw/zinc/15/31/44/1203153144.db2.gz PLWHCPOOJVYFOL-QGZVFWFLSA-N 0 3 304.409 3.328 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)COCC2CCCC2)C1 ZINC001714856461 1203157041 /nfs/dbraw/zinc/15/70/41/1203157041.db2.gz PIZGGVHXNDTGRZ-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001714859649 1203159855 /nfs/dbraw/zinc/15/98/55/1203159855.db2.gz FABBFLPHUVVOFG-UXHICEINSA-N 0 3 324.468 3.292 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(C)cc2C)C1 ZINC001714865319 1203164156 /nfs/dbraw/zinc/16/41/56/1203164156.db2.gz ZPZBMMPYPVZGAP-SFHVURJKSA-N 0 3 312.457 3.253 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001714924499 1203202224 /nfs/dbraw/zinc/20/22/24/1203202224.db2.gz LJBFBQVPXRAOEO-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CC1(CC(=O)NCC2CN(CC[C@H](C)F)C2)CCCCC1 ZINC001714978265 1203224051 /nfs/dbraw/zinc/22/40/51/1203224051.db2.gz KYYDDEQXXYGBMX-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)cc1C ZINC001714988225 1203226938 /nfs/dbraw/zinc/22/69/38/1203226938.db2.gz SJEJVGXFPPANDY-IRXDYDNUSA-N 0 3 315.461 3.277 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC)c1ccccc1 ZINC001714991521 1203228922 /nfs/dbraw/zinc/22/89/22/1203228922.db2.gz IRKUDISXLVEYIY-NEWSRXKRSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001715019608 1203239580 /nfs/dbraw/zinc/23/95/80/1203239580.db2.gz QDSIBMXLLIWMMC-RDTXWAMCSA-N 0 3 316.420 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cc(F)ccc2F)C1 ZINC001715040279 1203248760 /nfs/dbraw/zinc/24/87/60/1203248760.db2.gz CNUKXKPQZQOPCF-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001715040086 1203249338 /nfs/dbraw/zinc/24/93/38/1203249338.db2.gz BROBXWMMDNPBGT-HNNXBMFYSA-N 0 3 321.490 3.426 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2c(C)cccc2Cl)C1 ZINC001715040816 1203249413 /nfs/dbraw/zinc/24/94/13/1203249413.db2.gz NLIMVLDLKKBQOZ-HNNXBMFYSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccc(F)cc2F)C1 ZINC001715046345 1203253342 /nfs/dbraw/zinc/25/33/42/1203253342.db2.gz QFHUQTVQDCZBTL-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN CC[C@H](CNC(=O)C=C(C)C)NCC#Cc1cccc(Cl)c1 ZINC001715048279 1203254653 /nfs/dbraw/zinc/25/46/53/1203254653.db2.gz IAAFOFUOJPVPGH-QGZVFWFLSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCCCN1CC[C@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001715049749 1203254706 /nfs/dbraw/zinc/25/47/06/1203254706.db2.gz WYMOBIQPLCUEHC-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001715049750 1203254758 /nfs/dbraw/zinc/25/47/58/1203254758.db2.gz WYMOBIQPLCUEHC-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(C)cc1)C1CC1 ZINC001715122115 1203278532 /nfs/dbraw/zinc/27/85/32/1203278532.db2.gz LCMLCQYJBLBNIS-KRWDZBQOSA-N 0 3 306.837 3.236 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCc1ccccc1)C1CC1 ZINC001715121980 1203278673 /nfs/dbraw/zinc/27/86/73/1203278673.db2.gz JTIBJCFMAFPXJO-SFHVURJKSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001715138697 1203283524 /nfs/dbraw/zinc/28/35/24/1203283524.db2.gz TZZUSBTUITYLSZ-WVUXNXBLSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCCCC(=O)NCCC1CCN(Cc2ccccn2)CC1 ZINC001715205640 1203296175 /nfs/dbraw/zinc/29/61/75/1203296175.db2.gz OMUFKHKPNIOCHM-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001715288325 1203307511 /nfs/dbraw/zinc/30/75/11/1203307511.db2.gz HRUHZWGHEOQQKK-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCC=C(Cl)Cl ZINC001715356861 1203323178 /nfs/dbraw/zinc/32/31/78/1203323178.db2.gz NBQLKJROFJSMSC-STQMWFEESA-N 0 3 319.276 3.488 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001715357090 1203323516 /nfs/dbraw/zinc/32/35/16/1203323516.db2.gz HBTHXESHGCITMG-YFVAEKQCSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC001715452312 1203343184 /nfs/dbraw/zinc/34/31/84/1203343184.db2.gz AFVSDSBBNHHTIQ-CVEARBPZSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001715527654 1203362082 /nfs/dbraw/zinc/36/20/82/1203362082.db2.gz CYFSVXOXPBREQA-UHFFFAOYSA-N 0 3 316.489 3.493 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)cs1)C(C)C ZINC001715545736 1203369046 /nfs/dbraw/zinc/36/90/46/1203369046.db2.gz DRBYGMAPSGUGGM-LBPRGKRZSA-N 0 3 300.855 3.153 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nc(C)c(C)s1 ZINC001715547994 1203369587 /nfs/dbraw/zinc/36/95/87/1203369587.db2.gz MDKZDASCYKERBM-HUUCEWRRSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1cccc(Cl)n1)C(C)C ZINC001715587346 1203373115 /nfs/dbraw/zinc/37/31/15/1203373115.db2.gz LZMNGUSEVMLNTN-HNNXBMFYSA-N 0 3 323.868 3.322 20 30 DGEDHN CC(C(=O)N[C@H](C)CCNCc1ccccc1C#N)=C1CCC1 ZINC001715641582 1203376679 /nfs/dbraw/zinc/37/66/79/1203376679.db2.gz SVQDDFGWAZTBTE-CQSZACIVSA-N 0 3 311.429 3.043 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCNCc1ccc(F)cc1Cl ZINC001715638988 1203376804 /nfs/dbraw/zinc/37/68/04/1203376804.db2.gz IASLXXCSXAQESY-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001715702222 1203382117 /nfs/dbraw/zinc/38/21/17/1203382117.db2.gz WFZCLGMOPXJBEY-ZZFFKQLHSA-N 0 3 324.896 3.440 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H](NCC(=C)Cl)C(C)C)CCCCC1 ZINC001715735663 1203385903 /nfs/dbraw/zinc/38/59/03/1203385903.db2.gz YZNMVJKPILRVCF-MRXNPFEDSA-N 0 3 324.896 3.443 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001715821412 1203395477 /nfs/dbraw/zinc/39/54/77/1203395477.db2.gz VDFUUGCKHYRXER-ARJAWSKDSA-N 0 3 308.372 3.083 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001715940086 1203407627 /nfs/dbraw/zinc/40/76/27/1203407627.db2.gz GSUJTLXDKIZPOV-LJQANCHMSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001715992435 1203417362 /nfs/dbraw/zinc/41/73/62/1203417362.db2.gz IFCGGQOVTTYMGA-KBXCAEBGSA-N 0 3 306.425 3.331 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001716024093 1203426552 /nfs/dbraw/zinc/42/65/52/1203426552.db2.gz CBFHMLKBCNPOTI-UONOGXRCSA-N 0 3 322.399 3.266 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CCCc1ccccc1Cl ZINC001716024217 1203426597 /nfs/dbraw/zinc/42/65/97/1203426597.db2.gz SLPDCYLPENPIIY-AWEZNQCLSA-N 0 3 308.853 3.285 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001716036360 1203431292 /nfs/dbraw/zinc/43/12/92/1203431292.db2.gz RKGNOISZOPVAPH-SFHVURJKSA-N 0 3 318.461 3.119 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCNCc1c(F)cccc1Cl ZINC001716124435 1203441364 /nfs/dbraw/zinc/44/13/64/1203441364.db2.gz GTOLXDMEEFOOMK-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccccc1CCC ZINC001716157616 1203443937 /nfs/dbraw/zinc/44/39/37/1203443937.db2.gz XUFWLXSCPFXKNO-AWEZNQCLSA-N 0 3 308.853 3.490 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001716191184 1203447340 /nfs/dbraw/zinc/44/73/40/1203447340.db2.gz BIFXLWACHCRRRB-JTQLQIEISA-N 0 3 314.779 3.202 20 30 DGEDHN CCC(CC)C(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001716206687 1203449124 /nfs/dbraw/zinc/44/91/24/1203449124.db2.gz KGCDTXUWMJYQJW-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001716253339 1203454168 /nfs/dbraw/zinc/45/41/68/1203454168.db2.gz RDRREMNABZTUAZ-JKSUJKDBSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2c(cccc2F)s1 ZINC001716504154 1203495026 /nfs/dbraw/zinc/49/50/26/1203495026.db2.gz GJTYVJFJTDJZPT-LLVKDONJSA-N 0 3 306.406 3.277 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cc(C)no1 ZINC001716514598 1203498004 /nfs/dbraw/zinc/49/80/04/1203498004.db2.gz NNVUIWYWDGUWKE-NVXWUHKLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cnc(C)s1)C1CC1 ZINC001716617711 1203507327 /nfs/dbraw/zinc/50/73/27/1203507327.db2.gz OOXZRLRVQWBZDD-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001716622005 1203508072 /nfs/dbraw/zinc/50/80/72/1203508072.db2.gz YBNNNILURVXZCF-SWLSCSKDSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1F ZINC001716662436 1203517715 /nfs/dbraw/zinc/51/77/15/1203517715.db2.gz HKPLGSCNPVSQMH-WBVHZDCISA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001716670255 1203521172 /nfs/dbraw/zinc/52/11/72/1203521172.db2.gz DAMLQWGYGYVCER-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001716671296 1203521632 /nfs/dbraw/zinc/52/16/32/1203521632.db2.gz MFFJPYLTIRFPQK-MRXNPFEDSA-N 0 3 304.409 3.213 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN2CC2CC(C)C2)CCCCC1 ZINC001716673370 1203521841 /nfs/dbraw/zinc/52/18/41/1203521841.db2.gz RLTPNVWAJYTCIR-DAWZGUTISA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001716689985 1203525204 /nfs/dbraw/zinc/52/52/04/1203525204.db2.gz QDEWFNGSJFKEMX-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(CC#CC)C1 ZINC001716706373 1203529221 /nfs/dbraw/zinc/52/92/21/1203529221.db2.gz OFWYWIXKBWGHKQ-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001716723300 1203532430 /nfs/dbraw/zinc/53/24/30/1203532430.db2.gz DJQRROVIYVXCGU-FQEVSTJZSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN(C(=O)c1csc(Cl)c1)C1CCN(CC=C)CC1 ZINC001716810050 1203545407 /nfs/dbraw/zinc/54/54/07/1203545407.db2.gz BTVQJOCWVJXLOL-UHFFFAOYSA-N 0 3 322.861 3.127 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001716846927 1203553787 /nfs/dbraw/zinc/55/37/87/1203553787.db2.gz XBDHHEHWWDPXJW-FQEVSTJZSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001716849123 1203555313 /nfs/dbraw/zinc/55/53/13/1203555313.db2.gz RIQLZKRCAYSFCS-HKUYNNGSSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001716901123 1203566431 /nfs/dbraw/zinc/56/64/31/1203566431.db2.gz BKIYGMNBNCOXSX-FQEVSTJZSA-N 0 3 323.440 3.023 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001716910700 1203567928 /nfs/dbraw/zinc/56/79/28/1203567928.db2.gz IYYMYHMOIDBQDW-ZIAGYGMSSA-N 0 3 320.399 3.164 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C=C1CCCCC1 ZINC001717003874 1203576413 /nfs/dbraw/zinc/57/64/13/1203576413.db2.gz OWKJGHJDDLJLMF-UHFFFAOYSA-N 0 3 310.441 3.129 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CCNCC#CC)Cc1ccccc1 ZINC001717007280 1203576688 /nfs/dbraw/zinc/57/66/88/1203576688.db2.gz VNPHZXANHGWSHC-FQEVSTJZSA-N 0 3 312.457 3.230 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](CC)CCCC ZINC001717034919 1203579544 /nfs/dbraw/zinc/57/95/44/1203579544.db2.gz DAGMXCUWASRWID-FGTMMUONSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001717039896 1203580522 /nfs/dbraw/zinc/58/05/22/1203580522.db2.gz AAEPOJXVYAUVER-FUHWJXTLSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001717105642 1203585054 /nfs/dbraw/zinc/58/50/54/1203585054.db2.gz XVKRLSICAFZNIB-AWEZNQCLSA-N 0 3 316.848 3.240 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C)s2)cc1 ZINC001717116132 1203586391 /nfs/dbraw/zinc/58/63/91/1203586391.db2.gz HSKZYDHGHQNAJE-AWEZNQCLSA-N 0 3 312.438 3.270 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)CC)cc1 ZINC001717115045 1203586427 /nfs/dbraw/zinc/58/64/27/1203586427.db2.gz IKNNNGMZIDVPOC-JKSUJKDBSA-N 0 3 300.446 3.413 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C#CC(C)(C)C)cc1 ZINC001717114640 1203586512 /nfs/dbraw/zinc/58/65/12/1203586512.db2.gz FULQNQHKQWANJO-MRXNPFEDSA-N 0 3 310.441 3.026 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccn(CC)c2C)cc1 ZINC001717116474 1203586802 /nfs/dbraw/zinc/58/68/02/1203586802.db2.gz VVLKAULTKSRLJR-OAHLLOKOSA-N 0 3 323.440 3.030 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](CC)c1ccccc1 ZINC001717214411 1203604660 /nfs/dbraw/zinc/60/46/60/1203604660.db2.gz VHTLNIYODOXTHS-GOSISDBHSA-N 0 3 314.473 3.374 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001717244513 1203608770 /nfs/dbraw/zinc/60/87/70/1203608770.db2.gz ZHNJEOGWXLKRAP-CTNGQTDRSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001717244514 1203608985 /nfs/dbraw/zinc/60/89/85/1203608985.db2.gz ZHNJEOGWXLKRAP-FPOVZHCZSA-N 0 3 324.468 3.462 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCCC ZINC001717243326 1203609239 /nfs/dbraw/zinc/60/92/39/1203609239.db2.gz CDFFFJKMZNVDAX-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(C)(NCc2cnc(C)o2)CC1 ZINC001717301807 1203615035 /nfs/dbraw/zinc/61/50/35/1203615035.db2.gz FLXIMOOYBUXVNT-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N1CCC2(CC1)CN(CCCCCC)CCO2 ZINC001717345283 1203622785 /nfs/dbraw/zinc/62/27/85/1203622785.db2.gz OHJAQTPQRZSVNL-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001717368691 1203627751 /nfs/dbraw/zinc/62/77/51/1203627751.db2.gz FIWRUCQQHBGMSO-MRXNPFEDSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1 ZINC001717373082 1203628916 /nfs/dbraw/zinc/62/89/16/1203628916.db2.gz FWZRSAJCILBMOP-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001717373236 1203629346 /nfs/dbraw/zinc/62/93/46/1203629346.db2.gz HFXHGTZSRAYOMA-GGPKGHCWSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccccc1C ZINC001717376754 1203630938 /nfs/dbraw/zinc/63/09/38/1203630938.db2.gz XJMDMXULSKOAQR-HKUYNNGSSA-N 0 3 314.473 3.282 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397375 1203635754 /nfs/dbraw/zinc/63/57/54/1203635754.db2.gz RJHOGTMTMKPSEV-CABCVRRESA-N 0 3 318.848 3.141 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)CC(C)(C)C ZINC001717398403 1203636031 /nfs/dbraw/zinc/63/60/31/1203636031.db2.gz DWHJGWHSVXPCDQ-CHWSQXEVSA-N 0 3 319.424 3.116 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNCc1cnoc1C ZINC001717453283 1203647993 /nfs/dbraw/zinc/64/79/93/1203647993.db2.gz JIYCYECOMZGYHX-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCOCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001717467152 1203653399 /nfs/dbraw/zinc/65/33/99/1203653399.db2.gz WJCPCEWFCHWHQV-ZIAGYGMSSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2ccccc2cc1F ZINC001717480254 1203658117 /nfs/dbraw/zinc/65/81/17/1203658117.db2.gz JFCMIYRRGPRCBD-ZDUSSCGKSA-N 0 3 300.377 3.215 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)CCc1ccccc1F ZINC001717487244 1203661729 /nfs/dbraw/zinc/66/17/29/1203661729.db2.gz QCBBCNGPCOUOER-HNAYVOBHSA-N 0 3 320.452 3.407 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001717538050 1203676424 /nfs/dbraw/zinc/67/64/24/1203676424.db2.gz NTKMIAQXHONGGK-LSDHHAIUSA-N 0 3 314.420 3.052 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001717555106 1203680976 /nfs/dbraw/zinc/68/09/76/1203680976.db2.gz OSISAIRQLGBJAC-MRXNPFEDSA-N 0 3 314.473 3.452 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCc2ccc(CC)cc2)C1 ZINC001717563275 1203682891 /nfs/dbraw/zinc/68/28/91/1203682891.db2.gz XPNYOFIAORQUHI-INIZCTEOSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@]2(C1)CN(CC(CC)CC)CCO2 ZINC001717574010 1203683935 /nfs/dbraw/zinc/68/39/35/1203683935.db2.gz XBOAQGFZKVAHCL-LJQANCHMSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccc(C)cc2)C(C)(C)C1 ZINC001717585185 1203686251 /nfs/dbraw/zinc/68/62/51/1203686251.db2.gz MELKQMVCTGANTQ-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CC[C@H](C(=O)N1CC2(C1)CCCN(CC=C)C2)c1ccccc1 ZINC001717630318 1203692094 /nfs/dbraw/zinc/69/20/94/1203692094.db2.gz LSVVLOHIRILPSV-IBGZPJMESA-N 0 3 324.468 3.457 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001717664675 1203696550 /nfs/dbraw/zinc/69/65/50/1203696550.db2.gz ZQJYAMNAURMJPG-HIICFIELSA-N 0 3 317.408 3.038 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC[C@@H](C)c1ccccc1 ZINC001717744644 1203708717 /nfs/dbraw/zinc/70/87/17/1203708717.db2.gz GDANGFOZPJCXAG-SJORKVTESA-N 0 3 300.446 3.030 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](CCC)c1ccccc1 ZINC001717755116 1203710973 /nfs/dbraw/zinc/71/09/73/1203710973.db2.gz YNXMIZLUXHUGRY-WMZOPIPTSA-N 0 3 300.446 3.030 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CC3(C)CCCCC3)CCC[C@H]12 ZINC001717838288 1203719218 /nfs/dbraw/zinc/71/92/18/1203719218.db2.gz SVTXGHUZYTXFIT-FXAWDEMLSA-N 0 3 316.489 3.483 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCCC3CCCC3)CCC[C@@H]12 ZINC001717841356 1203719850 /nfs/dbraw/zinc/71/98/50/1203719850.db2.gz QDLLENJQACCLPP-UYAOXDASSA-N 0 3 316.489 3.483 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNCc2ncc(C)s2)C1 ZINC001717872012 1203726076 /nfs/dbraw/zinc/72/60/76/1203726076.db2.gz FQMATNBGIWBYOG-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN Cc1ccc(C)c(CN(C)CCN(C(=O)[C@H](C)C#N)C(C)C)c1 ZINC001717947578 1203732412 /nfs/dbraw/zinc/73/24/12/1203732412.db2.gz LGKCIXDLIKQLQD-QGZVFWFLSA-N 0 3 315.461 3.132 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cccc(Cl)n1)C(C)(C)C ZINC001717956879 1203735898 /nfs/dbraw/zinc/73/58/98/1203735898.db2.gz ZPBUNDDLZACEFU-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)C1CCN(Cc2ccsc2)CC1 ZINC001717983089 1203740007 /nfs/dbraw/zinc/74/00/07/1203740007.db2.gz VUGZHVOLMWUJOX-HNNXBMFYSA-N 0 3 318.486 3.124 20 30 DGEDHN CC(C)C#CC(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC001717991131 1203741299 /nfs/dbraw/zinc/74/12/99/1203741299.db2.gz CGXYHZWPCCEDRK-UHFFFAOYSA-N 0 3 324.877 3.140 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001717995216 1203741608 /nfs/dbraw/zinc/74/16/08/1203741608.db2.gz JBUOMOCUTJUVRI-KKXNLOMOSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2cccs2)o1 ZINC001722913665 1203951353 /nfs/dbraw/zinc/95/13/53/1203951353.db2.gz LJZJKAQOGGCRAO-GFCCVEGCSA-N 0 3 304.415 3.244 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(Cl)cc1F ZINC001723073156 1203957072 /nfs/dbraw/zinc/95/70/72/1203957072.db2.gz UCURGLOTAAVMJS-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)c1ccccc1F ZINC001723155896 1203959042 /nfs/dbraw/zinc/95/90/42/1203959042.db2.gz YMKOEWQHSUGGPZ-CYBMUJFWSA-N 0 3 312.816 3.120 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001723482688 1203977881 /nfs/dbraw/zinc/97/78/81/1203977881.db2.gz OGWOFULOCQCEJZ-DZGCQCFKSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001723482690 1203978118 /nfs/dbraw/zinc/97/81/18/1203978118.db2.gz OGWOFULOCQCEJZ-UKRRQHHQSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001723484968 1203978259 /nfs/dbraw/zinc/97/82/59/1203978259.db2.gz SBBPXMOHFRBTSX-GXTWGEPZSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001723485703 1203978719 /nfs/dbraw/zinc/97/87/19/1203978719.db2.gz YPBWLUNDQISRBM-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C(CC=C)CC=C)C1 ZINC001723605665 1203984463 /nfs/dbraw/zinc/98/44/63/1203984463.db2.gz AQSUXZNMUQZHPR-OALUTQOASA-N 0 3 314.473 3.091 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)CCC=C(C)C)C2)C1 ZINC001723721913 1203990314 /nfs/dbraw/zinc/99/03/14/1203990314.db2.gz QYIKJRVPFBZVAV-AZUAARDMSA-N 0 3 316.489 3.317 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001723720802 1203990488 /nfs/dbraw/zinc/99/04/88/1203990488.db2.gz FDPPAPZXSWXLDM-VQIMIIECSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C(=O)C(C)C)C1CCN(Cc2csc(C)c2)CC1 ZINC001724038276 1204002372 /nfs/dbraw/zinc/00/23/72/1204002372.db2.gz UIEJSQAPEDMUHP-UHFFFAOYSA-N 0 3 318.486 3.139 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC(C)C)C2 ZINC001724122796 1204006177 /nfs/dbraw/zinc/00/61/77/1204006177.db2.gz RVRHSDUBPANNFO-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCCCCC)C2 ZINC001724125073 1204006271 /nfs/dbraw/zinc/00/62/71/1204006271.db2.gz AHEKBSCTBXILPQ-IBGZPJMESA-N 0 3 304.478 3.295 20 30 DGEDHN CC[C@H](F)CN1CC[C@]2(C1)CCCCN(C(=O)C#CC(C)C)C2 ZINC001724126312 1204006471 /nfs/dbraw/zinc/00/64/71/1204006471.db2.gz QVXBDXXCSQAKQN-HKUYNNGSSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001724191423 1204013453 /nfs/dbraw/zinc/01/34/53/1204013453.db2.gz WKAKTHNLAYMERL-LJQANCHMSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001724334046 1204023077 /nfs/dbraw/zinc/02/30/77/1204023077.db2.gz RJRRTPDPRLUZLF-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001724586032 1204030792 /nfs/dbraw/zinc/03/07/92/1204030792.db2.gz CUWXWEYLYDJPJB-IUBKPTGXSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001724704457 1204038895 /nfs/dbraw/zinc/03/88/95/1204038895.db2.gz GLHHBRYAVFRFEP-DOTOQJQBSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cscn1 ZINC001724735747 1204040950 /nfs/dbraw/zinc/04/09/50/1204040950.db2.gz CSIWRRKAWQEKIS-UHFFFAOYSA-N 0 3 315.442 3.081 20 30 DGEDHN CC[C@H](F)CN[C@@H](C)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001724741284 1204042248 /nfs/dbraw/zinc/04/22/48/1204042248.db2.gz IWBXDSNRKBVZIM-KSSFIOAISA-N 0 3 316.420 3.115 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](CC)C(C)C)C2)CC1 ZINC001724759465 1204044427 /nfs/dbraw/zinc/04/44/27/1204044427.db2.gz NIMMQZBQXKGICC-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccc(Cl)s2)CCC1 ZINC001724785220 1204047292 /nfs/dbraw/zinc/04/72/92/1204047292.db2.gz YLABLURIZLPHLN-UHFFFAOYSA-N 0 3 324.877 3.334 20 30 DGEDHN CN(CCCN(C)C(=O)C(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC001724858419 1204059360 /nfs/dbraw/zinc/05/93/60/1204059360.db2.gz GTYJUWJDUNLVKE-UHFFFAOYSA-N 0 3 319.424 3.024 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CC#CC)C1 ZINC001724865837 1204060819 /nfs/dbraw/zinc/06/08/19/1204060819.db2.gz HIPPEEXXZAKFOY-MOPGFXCFSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C2 ZINC001724901544 1204065275 /nfs/dbraw/zinc/06/52/75/1204065275.db2.gz SLQMRRSYFMPGPE-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)COC(C)(C)C)cc2C1 ZINC001724923825 1204066556 /nfs/dbraw/zinc/06/65/56/1204066556.db2.gz PSPWIZAITCVXFG-UHFFFAOYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H](NCC=C(Cl)Cl)[C@@H](C)C2)C1 ZINC001724942119 1204068087 /nfs/dbraw/zinc/06/80/87/1204068087.db2.gz IBJGLBFPUVFARI-RYUDHWBXSA-N 0 3 317.260 3.098 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001724972807 1204074027 /nfs/dbraw/zinc/07/40/27/1204074027.db2.gz UOZYDXXFVFSYNB-MRXNPFEDSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(C)s2)C(C)(C)C1 ZINC001724980667 1204074109 /nfs/dbraw/zinc/07/41/09/1204074109.db2.gz YKLACJYTKMOQSK-INIZCTEOSA-N 0 3 320.502 3.392 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1c2ccccc2CCN1CC(C)C ZINC001725013397 1204079966 /nfs/dbraw/zinc/07/99/66/1204079966.db2.gz ONMAYNQRGFACGO-IBGZPJMESA-N 0 3 312.457 3.017 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001725085917 1204091646 /nfs/dbraw/zinc/09/16/46/1204091646.db2.gz QVFOXIIPQBTINX-IAGRGRHTSA-N 0 3 316.420 3.016 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cc(F)ccc1OC ZINC001725091861 1204092778 /nfs/dbraw/zinc/09/27/78/1204092778.db2.gz MYUXEJVBVYXWAX-UONOGXRCSA-N 0 3 322.424 3.173 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1scnc1C ZINC001725108555 1204096456 /nfs/dbraw/zinc/09/64/56/1204096456.db2.gz MWMRWWLVNQWVQA-NEPJUHHUSA-N 0 3 309.479 3.037 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001725169356 1204109425 /nfs/dbraw/zinc/10/94/25/1204109425.db2.gz BLBFIYDRMDXLTB-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1(CCOCC)CCC1 ZINC001725235692 1204123738 /nfs/dbraw/zinc/12/37/38/1204123738.db2.gz GQSZJYFMXLNCNI-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](C)c1ccco1 ZINC001725238351 1204124963 /nfs/dbraw/zinc/12/49/63/1204124963.db2.gz HBMNXUGPNSMSGI-SJORKVTESA-N 0 3 316.445 3.157 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001725246925 1204127617 /nfs/dbraw/zinc/12/76/17/1204127617.db2.gz IGMFNLQNBSDFHC-CRAIPNDOSA-N 0 3 322.493 3.127 20 30 DGEDHN C[C@H](NC(=O)C#CC(C)(C)C)C1CN([C@H]2CCc3ccccc32)C1 ZINC001725248132 1204127829 /nfs/dbraw/zinc/12/78/29/1204127829.db2.gz MIYCJTYYMGLRPC-KXBFYZLASA-N 0 3 324.468 3.160 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001725250913 1204127965 /nfs/dbraw/zinc/12/79/65/1204127965.db2.gz NYBZBHZZPULWOR-IAGOWNOFSA-N 0 3 312.457 3.378 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)CCCC)C[C@]2(C)C1 ZINC001725344596 1204139106 /nfs/dbraw/zinc/13/91/06/1204139106.db2.gz YDFDOKGLKAYCSH-RLLQIKCJSA-N 0 3 318.505 3.397 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001725556488 1204167357 /nfs/dbraw/zinc/16/73/57/1204167357.db2.gz MYCOCJXWWQKQFF-MJGOQNOKSA-N 0 3 312.457 3.053 20 30 DGEDHN CCCCCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001725560693 1204167846 /nfs/dbraw/zinc/16/78/46/1204167846.db2.gz WTSPRTCNDXXRBN-PKOBYXMFSA-N 0 3 312.457 3.197 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001725580814 1204171576 /nfs/dbraw/zinc/17/15/76/1204171576.db2.gz GACZTDVMXCENCD-CVEARBPZSA-N 0 3 324.424 3.266 20 30 DGEDHN C#CCCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001725587977 1204172842 /nfs/dbraw/zinc/17/28/42/1204172842.db2.gz BJADYNUUIRVYFG-FUHWJXTLSA-N 0 3 316.470 3.165 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@@H]1C ZINC001725593659 1204175156 /nfs/dbraw/zinc/17/51/56/1204175156.db2.gz MUSKSEHVSYAXRD-ZFWWWQNUSA-N 0 3 322.399 3.400 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC/C=C\c3ccccc3)CCC[C@H]12 ZINC001725610456 1204179100 /nfs/dbraw/zinc/17/91/00/1204179100.db2.gz LBFWHEVOXAJTDA-LWGQBHQQSA-N 0 3 322.452 3.226 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCC3CCCCC3)CCC[C@H]12 ZINC001725628083 1204185396 /nfs/dbraw/zinc/18/53/96/1204185396.db2.gz LOWMIFXMGNLHNC-ICSRJNTNSA-N 0 3 316.489 3.483 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CC)CCCCC)CCC[C@H]12 ZINC001725645298 1204190257 /nfs/dbraw/zinc/19/02/57/1204190257.db2.gz ZQFZFPMKJHAWDL-ZIFCJYIRSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC1CCC(OC)CC1)C(C)C ZINC001725733386 1204205521 /nfs/dbraw/zinc/20/55/21/1204205521.db2.gz RKTXUUFLFBODHF-UHFFFAOYSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001725736397 1204207177 /nfs/dbraw/zinc/20/71/77/1204207177.db2.gz MSFBDZUAEHFCAP-HNNXBMFYSA-N 0 3 319.474 3.206 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001725738100 1204207839 /nfs/dbraw/zinc/20/78/39/1204207839.db2.gz SWIQBLQUSPKIIR-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC001725825047 1204227472 /nfs/dbraw/zinc/22/74/72/1204227472.db2.gz DBSFZBPOUHIETE-KXBFYZLASA-N 0 3 304.478 3.383 20 30 DGEDHN CC(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1Cl ZINC001731290080 1204363606 /nfs/dbraw/zinc/36/36/06/1204363606.db2.gz QKMKJODKRXCGEN-RDTXWAMCSA-N 0 3 318.848 3.071 20 30 DGEDHN CC(=O)N1CCCC[C@H]1[C@@H](C)NCC#Cc1ccccc1Cl ZINC001731290078 1204364108 /nfs/dbraw/zinc/36/41/08/1204364108.db2.gz QKMKJODKRXCGEN-KDOFPFPSSA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCN(CCCNC(=O)c1csc2ccccc12)C1CC1 ZINC001731336498 1204376518 /nfs/dbraw/zinc/37/65/18/1204376518.db2.gz ZLWLIPYWOMJPBS-UHFFFAOYSA-N 0 3 312.438 3.119 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C/C=C\Cc2ccccc2)CC1 ZINC001731361835 1204383561 /nfs/dbraw/zinc/38/35/61/1204383561.db2.gz AYHYODCQHGDMIH-FPLPWBNLSA-N 0 3 312.457 3.284 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001731371380 1204384965 /nfs/dbraw/zinc/38/49/65/1204384965.db2.gz LZOCEDQYZFCVGA-AWEZNQCLSA-N 0 3 309.479 3.226 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001731376737 1204388200 /nfs/dbraw/zinc/38/82/00/1204388200.db2.gz HLHCQYVXPUTXPR-AVFOEOQDSA-N 0 3 322.880 3.478 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC23CCN(C[C@H](F)CC)CC3)CCC1 ZINC001731382441 1204389871 /nfs/dbraw/zinc/38/98/71/1204389871.db2.gz FBZORZCCITYYRW-CVEARBPZSA-N 0 3 322.468 3.452 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001731382297 1204390259 /nfs/dbraw/zinc/39/02/59/1204390259.db2.gz AZDUNOQKUPDNEF-KVEVGEHQSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001731422947 1204408259 /nfs/dbraw/zinc/40/82/59/1204408259.db2.gz BMVCTVQEVDFPEF-BHYGNILZSA-N 0 3 304.478 3.453 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CC ZINC001731423635 1204408854 /nfs/dbraw/zinc/40/88/54/1204408854.db2.gz YCSLWDXAYCPOTC-HRCADAONSA-N 0 3 316.445 3.486 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOC1 ZINC001731426428 1204409767 /nfs/dbraw/zinc/40/97/67/1204409767.db2.gz PHAUJLAUUYUDNU-OKZBNKHCSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1cccs1 ZINC001731429591 1204410574 /nfs/dbraw/zinc/41/05/74/1204410574.db2.gz PQQKHWRRIRPRSU-IYBDPMFKSA-N 0 3 318.486 3.322 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001731460444 1204419999 /nfs/dbraw/zinc/41/99/99/1204419999.db2.gz CXYVJVQYXUCVSF-UVBJJODRSA-N 0 3 324.827 3.309 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001731464393 1204421442 /nfs/dbraw/zinc/42/14/42/1204421442.db2.gz KRJNSDLTVNFHNT-IPYJXSJYSA-N 0 3 310.869 3.453 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001731463664 1204421726 /nfs/dbraw/zinc/42/17/26/1204421726.db2.gz UXOGPRFHENOXNY-LJAPEYQFSA-N 0 3 310.869 3.453 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2ccc(C)cc2Cl)C1 ZINC001731474858 1204424685 /nfs/dbraw/zinc/42/46/85/1204424685.db2.gz XVUDTOSPKQHLHY-GASCZTMLSA-N 0 3 306.837 3.351 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001731474515 1204424849 /nfs/dbraw/zinc/42/48/49/1204424849.db2.gz UBWPIHZENSUEFG-OKILXGFUSA-N 0 3 310.800 3.182 20 30 DGEDHN CCCC1(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001731483341 1204427116 /nfs/dbraw/zinc/42/71/16/1204427116.db2.gz RNGVAUOGNFLGET-KDURUIRLSA-N 0 3 324.468 3.245 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1cccc(C)c1 ZINC001731537136 1204448109 /nfs/dbraw/zinc/44/81/09/1204448109.db2.gz GFXAHHQCSLSJLP-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001731556691 1204459763 /nfs/dbraw/zinc/45/97/63/1204459763.db2.gz CGRUFCGCCUZDHM-IRXDYDNUSA-N 0 3 315.461 3.155 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC001731591543 1204475697 /nfs/dbraw/zinc/47/56/97/1204475697.db2.gz SRKAMRAUFKKXRC-CHWSQXEVSA-N 0 3 324.827 3.294 20 30 DGEDHN CCC[C@](C)(CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001731627850 1204489188 /nfs/dbraw/zinc/48/91/88/1204489188.db2.gz WIAFWLLBDBFWOY-GUYCJALGSA-N 0 3 321.490 3.430 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC001731711885 1204515783 /nfs/dbraw/zinc/51/57/83/1204515783.db2.gz PUUJVXRVQNHKBS-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001731714120 1204517925 /nfs/dbraw/zinc/51/79/25/1204517925.db2.gz YJCLTQLNWBXDGU-ROUUACIJSA-N 0 3 304.478 3.315 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(F)cc(Cl)c1 ZINC001731735960 1204528952 /nfs/dbraw/zinc/52/89/52/1204528952.db2.gz KKMWXLVOUKZDAU-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)Cc1ccc(C)o1 ZINC001731747320 1204533746 /nfs/dbraw/zinc/53/37/46/1204533746.db2.gz KPPLNYDNPXZLJY-OAHLLOKOSA-N 0 3 324.852 3.244 20 30 DGEDHN C#CCCN(C)CCNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC001731786079 1204557391 /nfs/dbraw/zinc/55/73/91/1204557391.db2.gz MTIRZAVUEKQFPY-GOSISDBHSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC001731824089 1204586584 /nfs/dbraw/zinc/58/65/84/1204586584.db2.gz OGLHELYDIZOAKM-ICEKFOEVSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCCc1ccccc1 ZINC001731840716 1204596894 /nfs/dbraw/zinc/59/68/94/1204596894.db2.gz GTIODJSELMMQGM-HKUYNNGSSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1)C1CC1 ZINC001731879933 1204620789 /nfs/dbraw/zinc/62/07/89/1204620789.db2.gz CZRGPBRHALVJOB-QZTJIDSGSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](c1ccccc1)C(C)C)C1CC1 ZINC001731882442 1204621732 /nfs/dbraw/zinc/62/17/32/1204621732.db2.gz NWFVOTDZJYTBLE-SFHVURJKSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1cnoc1C)C(C)C ZINC001732014782 1204649074 /nfs/dbraw/zinc/64/90/74/1204649074.db2.gz QNZBKCFAMKQALQ-UHFFFAOYSA-N 0 3 321.465 3.302 20 30 DGEDHN CC/C=C(/C)C(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001732066686 1204677127 /nfs/dbraw/zinc/67/71/27/1204677127.db2.gz KTMVWYIXYPXGNZ-BFHGZXLWSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001732132064 1204706429 /nfs/dbraw/zinc/70/64/29/1204706429.db2.gz ZWSPNYJQDAMRIS-UHFFFAOYSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001732142600 1204711913 /nfs/dbraw/zinc/71/19/13/1204711913.db2.gz IFEPFTWVHLZLDL-ULQDDVLXSA-N 0 3 302.462 3.208 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001732175214 1204730015 /nfs/dbraw/zinc/73/00/15/1204730015.db2.gz XSABQEOPTPZBSU-MSOLQXFVSA-N 0 3 304.478 3.315 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1)OCC ZINC001732182102 1204736031 /nfs/dbraw/zinc/73/60/31/1204736031.db2.gz JWIOFJBCDPDULI-MSOLQXFVSA-N 0 3 322.493 3.247 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccc(F)cc2)C1 ZINC001732183612 1204737040 /nfs/dbraw/zinc/73/70/40/1204737040.db2.gz YCPDRIPZXUCFSV-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)CC)NCc1ccc(C#N)s1 ZINC001732206270 1204748881 /nfs/dbraw/zinc/74/88/81/1204748881.db2.gz ABWXCOSJKODJIM-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2ccc(F)cc2F)CCCC1 ZINC001732227320 1204761237 /nfs/dbraw/zinc/76/12/37/1204761237.db2.gz SODDYHKEEXHWIN-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)C=C1CCC1)C1CC1 ZINC001732241631 1204766976 /nfs/dbraw/zinc/76/69/76/1204766976.db2.gz DDPFZCZGKCGXGW-NRFANRHFSA-N 0 3 322.452 3.023 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H]1C=CCCC1)C1CC1 ZINC001732245683 1204768776 /nfs/dbraw/zinc/76/87/76/1204768776.db2.gz OSUMZDKRFUQJJV-YOEHRIQHSA-N 0 3 310.869 3.360 20 30 DGEDHN O=C(CCC1CCC1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001732327248 1204793228 /nfs/dbraw/zinc/79/32/28/1204793228.db2.gz IDTRUJBGAXJDQR-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001732445984 1204844689 /nfs/dbraw/zinc/84/46/89/1204844689.db2.gz KGOWSVWUFSUAGU-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001732509797 1204876262 /nfs/dbraw/zinc/87/62/62/1204876262.db2.gz GQPPDOPIOHQLSV-KRWDZBQOSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](F)c1ccccc1)C(C)C ZINC001732569986 1204900902 /nfs/dbraw/zinc/90/09/02/1204900902.db2.gz RCQMJLQTWAIZPH-LSDHHAIUSA-N 0 3 312.816 3.180 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)CCN(C)CC(=C)C)c1ccccc1 ZINC001732597923 1204916930 /nfs/dbraw/zinc/91/69/30/1204916930.db2.gz SAUIAQYADPGIGL-GOSISDBHSA-N 0 3 300.446 3.313 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1cc(F)ccc1C ZINC001732777532 1204942403 /nfs/dbraw/zinc/94/24/03/1204942403.db2.gz XJAIBHQGMYODMN-UHFFFAOYSA-N 0 3 306.425 3.429 20 30 DGEDHN C#CCNCCN(CC)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001732797832 1204945072 /nfs/dbraw/zinc/94/50/72/1204945072.db2.gz MANLEVMBJFSARI-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CCCC1 ZINC001733018427 1204982776 /nfs/dbraw/zinc/98/27/76/1204982776.db2.gz ZNKZPYGADFTCCU-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN Cc1ccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c(C)c1 ZINC001733022706 1204984104 /nfs/dbraw/zinc/98/41/04/1204984104.db2.gz QHXJDGZNJZMOKR-SFHVURJKSA-N 0 3 320.436 3.063 20 30 DGEDHN C=CCOCC(=O)N[C@H](C)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC001733031152 1204988898 /nfs/dbraw/zinc/98/88/98/1204988898.db2.gz SWUSJFSNCYINBJ-ZIAGYGMSSA-N 0 3 324.852 3.040 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(C)c1 ZINC001733034147 1204991790 /nfs/dbraw/zinc/99/17/90/1204991790.db2.gz PVJFDWJHPIRCDK-KRWDZBQOSA-N 0 3 300.446 3.125 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2c(o1)c(F)ccc2C ZINC001733046303 1204999815 /nfs/dbraw/zinc/99/98/15/1204999815.db2.gz DEKNNLCXAGLIPE-GFCCVEGCSA-N 0 3 304.365 3.116 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)CCc1scnc1C ZINC001733056750 1205008487 /nfs/dbraw/zinc/00/84/87/1205008487.db2.gz VJWJNABJBPWASF-GUYCJALGSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001733113000 1205025169 /nfs/dbraw/zinc/02/51/69/1205025169.db2.gz AAJFCSOKUNTIRI-CABCVRRESA-N 0 3 312.885 3.415 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccncc1C ZINC001733210572 1205044845 /nfs/dbraw/zinc/04/48/45/1205044845.db2.gz DTURDNWJAVVQLN-INIZCTEOSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001733226089 1205055396 /nfs/dbraw/zinc/05/53/96/1205055396.db2.gz DZKJVWBIKGEJKW-MRXNPFEDSA-N 0 3 303.450 3.182 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001733225100 1205055805 /nfs/dbraw/zinc/05/58/05/1205055805.db2.gz FSPMBRJAEMVQQV-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(CCCCC(F)(F)F)CC1 ZINC001733365849 1205107142 /nfs/dbraw/zinc/10/71/42/1205107142.db2.gz WAWLZHCPQNVSNG-UHFFFAOYSA-N 0 3 318.383 3.055 20 30 DGEDHN C#CCN(C(=O)c1cc(C)sc1C)C1CCN(CC=C)CC1 ZINC001733368846 1205108022 /nfs/dbraw/zinc/10/80/22/1205108022.db2.gz BTUKSVYGZMHRMW-UHFFFAOYSA-N 0 3 316.470 3.091 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)cc1 ZINC001733398037 1205116088 /nfs/dbraw/zinc/11/60/88/1205116088.db2.gz NWQLEZGCXILGBN-DNVCBOLYSA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)CCCCC1 ZINC001733512361 1205150448 /nfs/dbraw/zinc/15/04/48/1205150448.db2.gz CNHZRWSHXDIOTJ-ULQDDVLXSA-N 0 3 322.468 3.452 20 30 DGEDHN C=CCN[C@H](CNC(=O)/C=C/c1ccc[nH]1)c1ccccc1CC ZINC001733518678 1205152046 /nfs/dbraw/zinc/15/20/46/1205152046.db2.gz PUDBHMQSPKCXJO-TZZQJPOUSA-N 0 3 323.440 3.223 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](CC)CCCC)C[C@@H]2C1 ZINC001733579279 1205167882 /nfs/dbraw/zinc/16/78/82/1205167882.db2.gz CYPIOVPFXSMQEG-OKZBNKHCSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]2C1 ZINC001733606415 1205172772 /nfs/dbraw/zinc/17/27/72/1205172772.db2.gz UWFGYUFTEXHAAC-QWHCGFSZSA-N 0 3 318.383 3.074 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC001733681459 1205183141 /nfs/dbraw/zinc/18/31/41/1205183141.db2.gz YEZJSYRAQAODQC-HNNXBMFYSA-N 0 3 324.399 3.430 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](C)CCC=C(C)C)C2)CC1 ZINC001733695251 1205188239 /nfs/dbraw/zinc/18/82/39/1205188239.db2.gz WBXNDMFGZDKLQX-SFHVURJKSA-N 0 3 316.489 3.317 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001733753397 1205197921 /nfs/dbraw/zinc/19/79/21/1205197921.db2.gz GJXJWXUFOSENKL-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCC(=O)N(C)CCCN(C)Cc1sc(C)nc1C ZINC001733770368 1205207782 /nfs/dbraw/zinc/20/77/82/1205207782.db2.gz WSMKPZZRHBODOW-UHFFFAOYSA-N 0 3 309.479 3.006 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001733782555 1205217449 /nfs/dbraw/zinc/21/74/49/1205217449.db2.gz KOMUAQFORGVNJY-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCCN(CC#CC)C1 ZINC001733783382 1205218508 /nfs/dbraw/zinc/21/85/08/1205218508.db2.gz YABWAMQRGQLESM-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCC[C@@H](C)N1Cc2ccccc2C[C@H]1CNC(=O)C(F)F ZINC001733809062 1205222898 /nfs/dbraw/zinc/22/28/98/1205222898.db2.gz RPWFRXTUXHMCLI-CJNGLKHVSA-N 0 3 322.399 3.149 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001733907958 1205251595 /nfs/dbraw/zinc/25/15/95/1205251595.db2.gz YJZLSYITBLMIFT-FQEVSTJZSA-N 0 3 324.468 3.306 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC001733932359 1205262000 /nfs/dbraw/zinc/26/20/00/1205262000.db2.gz NWBXUFNEZHCILX-JXTAAOLFSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001733943139 1205267462 /nfs/dbraw/zinc/26/74/62/1205267462.db2.gz GMDCHUVPLNRHKV-KMFTYDHNSA-N 0 3 324.468 3.217 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001733949227 1205269112 /nfs/dbraw/zinc/26/91/12/1205269112.db2.gz DTGXCBROWZPROF-PCKAHOCUSA-N 0 3 310.869 3.360 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001733999777 1205283962 /nfs/dbraw/zinc/28/39/62/1205283962.db2.gz VZKWFIDPRTVTOR-DLBZAZTESA-N 0 3 314.473 3.347 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001734062987 1205313021 /nfs/dbraw/zinc/31/30/21/1205313021.db2.gz ODXXASKPIFAGJT-QWHCGFSZSA-N 0 3 306.475 3.109 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001734102831 1205324183 /nfs/dbraw/zinc/32/41/83/1205324183.db2.gz CRQQZRRMJNYWIR-DOTOQJQBSA-N 0 3 318.486 3.236 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001734107094 1205325692 /nfs/dbraw/zinc/32/56/92/1205325692.db2.gz VMQNUSFUFSGCMR-SJORKVTESA-N 0 3 316.445 3.076 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC001734105722 1205325988 /nfs/dbraw/zinc/32/59/88/1205325988.db2.gz HJFTVHMDAZGKKB-HKUYNNGSSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001734112916 1205327818 /nfs/dbraw/zinc/32/78/18/1205327818.db2.gz LMCJJRMVHFWPCJ-KRWDZBQOSA-N 0 3 312.457 3.125 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001734114826 1205328595 /nfs/dbraw/zinc/32/85/95/1205328595.db2.gz LUKLRBOSBJLWIV-DLBZAZTESA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001734124798 1205330698 /nfs/dbraw/zinc/33/06/98/1205330698.db2.gz AQFIAJSHVICQBH-HZPDHXFCSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001734219514 1205345745 /nfs/dbraw/zinc/34/57/45/1205345745.db2.gz QOZGQLGNJQYTIP-IIAWOOMASA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](CNCc1cncs1)C1CC1 ZINC001734303485 1205359834 /nfs/dbraw/zinc/35/98/34/1205359834.db2.gz VJHOGYQLXUMVSL-HNNXBMFYSA-N 0 3 321.490 3.072 20 30 DGEDHN C[C@@H](CN(C)C(=O)C[C@@H]1C=CCCC1)NCC#Cc1ccccc1 ZINC001734332157 1205365962 /nfs/dbraw/zinc/36/59/62/1205365962.db2.gz GVIQQIIPPWXJLP-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734441526 1205377804 /nfs/dbraw/zinc/37/78/04/1205377804.db2.gz PJFKXEOPVCFUCM-FRQCXROJSA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)[C@@H]1C ZINC001734459059 1205381354 /nfs/dbraw/zinc/38/13/54/1205381354.db2.gz NDEWUZDVJILZSZ-QWHCGFSZSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNCc2nc(C)c(C)s2)C1 ZINC001734471941 1205384205 /nfs/dbraw/zinc/38/42/05/1205384205.db2.gz VQIYCNTXBRJVMT-HUUCEWRRSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001734497463 1205387652 /nfs/dbraw/zinc/38/76/52/1205387652.db2.gz RIOVKGRCODCEOM-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](CC)CCCC)CC1 ZINC001734583714 1205400597 /nfs/dbraw/zinc/40/05/97/1205400597.db2.gz HDCOPVXGCOYXHR-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H](C)CCC)CC2)CC1 ZINC001734602921 1205404352 /nfs/dbraw/zinc/40/43/52/1205404352.db2.gz BKJVCDJYXRFLOV-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2=CCN(Cc3ccccc3)CC2)C1 ZINC001734632527 1205407760 /nfs/dbraw/zinc/40/77/60/1205407760.db2.gz HHWNSYBPOGREHQ-UHFFFAOYSA-N 0 3 310.441 3.291 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC001734636918 1205408372 /nfs/dbraw/zinc/40/83/72/1205408372.db2.gz MKONURPHKWBEIO-AWEZNQCLSA-N 0 3 318.848 3.378 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC001669805691 1197484862 /nfs/dbraw/zinc/48/48/62/1197484862.db2.gz DTNXQPRWNCWHDY-LSDHHAIUSA-N 0 3 320.864 3.497 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1CCCCC ZINC001635739282 1194568709 /nfs/dbraw/zinc/56/87/09/1194568709.db2.gz WYALGXXQGKROLA-KRWDZBQOSA-N 0 3 307.482 3.086 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001266252666 1081581439 /nfs/dbraw/zinc/58/14/39/1081581439.db2.gz XZUSXABBRJZDKL-DOMZBBRYSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169527465 1081582685 /nfs/dbraw/zinc/58/26/85/1081582685.db2.gz MTKRRYZCGTYDHX-WMZOPIPTSA-N 0 3 312.457 3.063 20 30 DGEDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001169539347 1081586604 /nfs/dbraw/zinc/58/66/04/1081586604.db2.gz HVTJVAYDCGBNIV-FUHWJXTLSA-N 0 3 312.457 3.063 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001266361584 1081701609 /nfs/dbraw/zinc/70/16/09/1081701609.db2.gz OVVGIGVOSWTWJL-CQSZACIVSA-N 0 3 321.490 3.256 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001167111874 1081708079 /nfs/dbraw/zinc/70/80/79/1081708079.db2.gz NSCBZQHWGGRTBK-YOEHRIQHSA-N 0 3 310.869 3.195 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2oc(C)cc2C)CC1 ZINC001266384467 1081725063 /nfs/dbraw/zinc/72/50/63/1081725063.db2.gz JQYCPHCFRAPQIK-UHFFFAOYSA-N 0 3 304.434 3.399 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cncc(C)c2)CC1 ZINC001266384707 1081726760 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Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)cc1C ZINC001109246372 1081790361 /nfs/dbraw/zinc/79/03/61/1081790361.db2.gz WSKBQURPMYDHAN-AABGKKOBSA-N 0 3 324.468 3.184 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCc2ccccc21 ZINC001109246175 1081790695 /nfs/dbraw/zinc/79/06/95/1081790695.db2.gz RBZCYNHXLHRKCP-MDNKFWRPSA-N 0 3 322.452 3.055 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)c2ccco2)CC1 ZINC001167188550 1081794076 /nfs/dbraw/zinc/79/40/76/1081794076.db2.gz SWBHCRDTBIKFDI-ZDUSSCGKSA-N 0 3 310.825 3.012 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)CCCC)C2 ZINC001109538533 1081864017 /nfs/dbraw/zinc/86/40/17/1081864017.db2.gz GYSOQOTXNYSXNJ-MHORFTMASA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN1CCc1ccccc1F ZINC001266479889 1081882522 /nfs/dbraw/zinc/88/25/22/1081882522.db2.gz FOECHMVADSXTFI-KRWDZBQOSA-N 0 3 318.436 3.305 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001109625354 1081888475 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C=C(C)CN(CCNC(=O)c1ccc(C2CC2)nc1C)C1CC1 ZINC001266611350 1082066886 /nfs/dbraw/zinc/06/68/86/1082066886.db2.gz GOKZAELDTBUECZ-UHFFFAOYSA-N 0 3 313.445 3.038 20 30 DGEDHN C#CCN(Cc1ccccc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC001170094533 1082079354 /nfs/dbraw/zinc/07/93/54/1082079354.db2.gz IRRCEJLTMMWJRJ-LJQANCHMSA-N 0 3 313.828 3.379 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](F)CC1CCCCC1)C1CC1 ZINC001266617622 1082081720 /nfs/dbraw/zinc/08/17/20/1082081720.db2.gz QOVVJJWKJAUOJR-QGZVFWFLSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccccc2CC)CC1 ZINC001113002989 1082081926 /nfs/dbraw/zinc/08/19/26/1082081926.db2.gz MQVGAAUXXAVXLZ-KRWDZBQOSA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC001113083624 1082110377 /nfs/dbraw/zinc/11/03/77/1082110377.db2.gz JVKLWQDJFMIEAT-SFHVURJKSA-N 0 3 314.473 3.427 20 30 DGEDHN C#CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001266648114 1082111381 /nfs/dbraw/zinc/11/13/81/1082111381.db2.gz NACSRXWVTNDGOG-BNSPEDOLSA-N 0 3 308.853 3.044 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCC(C)C)C1 ZINC001266662503 1082122736 /nfs/dbraw/zinc/12/27/36/1082122736.db2.gz GOKSOSTZOQMHOT-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCCCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113232261 1082144733 /nfs/dbraw/zinc/14/47/33/1082144733.db2.gz KBYBAHHGYYWCEV-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C[C@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266707796 1082158603 /nfs/dbraw/zinc/15/86/03/1082158603.db2.gz DYYLAYLSGPHSJV-IJXRJRJASA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC001113282331 1082163775 /nfs/dbraw/zinc/16/37/75/1082163775.db2.gz WTIRGMMFMYFVBH-HNNXBMFYSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccccc2C)CC1 ZINC001113379256 1082188223 /nfs/dbraw/zinc/18/82/23/1082188223.db2.gz NKWQSHRJZVKFKW-GOSISDBHSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC001113400325 1082200339 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C=C(Cl)CNCCCNC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001170311201 1082343899 /nfs/dbraw/zinc/34/38/99/1082343899.db2.gz HRMNMOPVEAKJBC-AWEZNQCLSA-N 0 3 324.852 3.326 20 30 DGEDHN C[C@@H](CNC(=O)C1=CCCCCC1)NCc1ccc(C#N)s1 ZINC001266934143 1082355897 /nfs/dbraw/zinc/35/58/97/1082355897.db2.gz SQQWDHLQICKCMA-ZDUSSCGKSA-N 0 3 317.458 3.105 20 30 DGEDHN N#CC1(c2ccccc2)CCC(N2C[C@@H](F)C[C@H](CO)C2)CC1 ZINC001170379449 1082363917 /nfs/dbraw/zinc/36/39/17/1082363917.db2.gz YQZFDMJVZXNIIE-FLODPWGTSA-N 0 3 316.420 3.043 20 30 DGEDHN N#CC1(c2ccccc2)CCC(N2C[C@H](F)C[C@H](CO)C2)CC1 ZINC001170379451 1082363960 /nfs/dbraw/zinc/36/39/60/1082363960.db2.gz YQZFDMJVZXNIIE-XMZVIZOASA-N 0 3 316.420 3.043 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001170408281 1082368097 /nfs/dbraw/zinc/36/80/97/1082368097.db2.gz CKLUOKIKYMIDQD-UHFFFAOYSA-N 0 3 318.804 3.409 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001480906580 1082376560 /nfs/dbraw/zinc/37/65/60/1082376560.db2.gz CFVRCPIQCAFVPW-PKOBYXMFSA-N 0 3 318.436 3.463 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCCCNCc1nc(C)cs1 ZINC001170426009 1082393913 /nfs/dbraw/zinc/39/39/13/1082393913.db2.gz SASIATSECWZVIV-AWEZNQCLSA-N 0 3 321.490 3.020 20 30 DGEDHN CCC1(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)CCCC1 ZINC001266982461 1082403682 /nfs/dbraw/zinc/40/36/82/1082403682.db2.gz ACDUWLULPNRCHV-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001480909055 1082404439 /nfs/dbraw/zinc/40/44/39/1082404439.db2.gz IWPCAEYKNUNPSL-KRWDZBQOSA-N 0 3 316.420 3.217 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001167542924 1082486080 /nfs/dbraw/zinc/48/60/80/1082486080.db2.gz KGOGUXYMPUUTRA-JSGCOSHPSA-N 0 3 300.874 3.297 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(CCC)cc2)C1 ZINC001267110526 1082527898 /nfs/dbraw/zinc/52/78/98/1082527898.db2.gz FBWOTKXBJMTWLX-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001167578175 1082544721 /nfs/dbraw/zinc/54/47/21/1082544721.db2.gz IYRQCZBDBOBRFL-GDBMZVCRSA-N 0 3 312.885 3.297 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001267148152 1082565942 /nfs/dbraw/zinc/56/59/42/1082565942.db2.gz HRMHOADQZVFUOH-BHYGNILZSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c[nH]c2ccc(C)cc21 ZINC001267155768 1082576057 /nfs/dbraw/zinc/57/60/57/1082576057.db2.gz VDDXYOMRJMRCKM-CYBMUJFWSA-N 0 3 319.836 3.327 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001267195622 1082624617 /nfs/dbraw/zinc/62/46/17/1082624617.db2.gz HZVSTGAXSCDPIV-SJORKVTESA-N 0 3 300.446 3.050 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)Cc1ccc2ncccc2c1 ZINC001267197336 1082626231 /nfs/dbraw/zinc/62/62/31/1082626231.db2.gz KJEJOUSFABKCBV-UHFFFAOYSA-N 0 3 311.429 3.139 20 30 DGEDHN N#Cc1ccc(CNCCNC(=O)C2CCCCCCC2)s1 ZINC001131146048 1082647934 /nfs/dbraw/zinc/64/79/34/1082647934.db2.gz WVUAKTIQUCIJRP-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001267215687 1082649072 /nfs/dbraw/zinc/64/90/72/1082649072.db2.gz OWYWRDKQFKDWHN-IBGZPJMESA-N 0 3 302.462 3.454 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001267251469 1082704670 /nfs/dbraw/zinc/70/46/70/1082704670.db2.gz HCTFVYPTBWQYMD-GOSISDBHSA-N 0 3 306.425 3.366 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001131839011 1082746133 /nfs/dbraw/zinc/74/61/33/1082746133.db2.gz MIBILSUTBVNCQS-LSDHHAIUSA-N 0 3 321.490 3.472 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132001483 1082791207 /nfs/dbraw/zinc/79/12/07/1082791207.db2.gz ACYXCEHBPZWPJS-IEBWSBKVSA-N 0 3 312.457 3.268 20 30 DGEDHN Cc1cccc(CN2C[C@H](NC(=O)C#CC(C)C)CC[C@@H]2C)c1 ZINC001132018614 1082796859 /nfs/dbraw/zinc/79/68/59/1082796859.db2.gz XWQBOUGNLGBCLF-PKOBYXMFSA-N 0 3 312.457 3.124 20 30 DGEDHN CCc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)cc1 ZINC001132033861 1082797944 /nfs/dbraw/zinc/79/79/44/1082797944.db2.gz MHAUXEAHUOCXAE-UZLBHIALSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CCCOCCCCC(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132034877 1082799324 /nfs/dbraw/zinc/79/93/24/1082799324.db2.gz VYBOUSJDJBISRX-ZWKOTPCHSA-N 0 3 322.493 3.295 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132061149 1082804763 /nfs/dbraw/zinc/80/47/63/1082804763.db2.gz PGYBGQAIGBGHBI-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)cc1C ZINC001132047278 1082806275 /nfs/dbraw/zinc/80/62/75/1082806275.db2.gz WAYVXKXUBBHVCH-XLIONFOSSA-N 0 3 324.468 3.186 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132072777 1082808061 /nfs/dbraw/zinc/80/80/61/1082808061.db2.gz OKHPQYWBNUHPQB-DLBZAZTESA-N 0 3 310.482 3.129 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132072778 1082808086 /nfs/dbraw/zinc/80/80/86/1082808086.db2.gz OKHPQYWBNUHPQB-IAGOWNOFSA-N 0 3 310.482 3.129 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC2CCOCC2)CC[C@@H]1C ZINC001132082873 1082810482 /nfs/dbraw/zinc/81/04/82/1082810482.db2.gz KCGZDRUXMFWPAL-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)CC(F)F)CC[C@H]1C ZINC001132097302 1082816317 /nfs/dbraw/zinc/81/63/17/1082816317.db2.gz HXUUGBGRSCWWPP-CHWSQXEVSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCN(CCNC(=O)Cc1c(C)oc2ccccc21)C1CC1 ZINC001267339228 1082817230 /nfs/dbraw/zinc/81/72/30/1082817230.db2.gz YVNGPTSUPAUSER-UHFFFAOYSA-N 0 3 312.413 3.050 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(COC)CCCCC2)CC[C@@H]1C ZINC001132102572 1082817471 /nfs/dbraw/zinc/81/74/71/1082817471.db2.gz XONPTPZMQJBLGT-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/Cc2ccccc2)CC[C@H]1C ZINC001132115832 1082822546 /nfs/dbraw/zinc/82/25/46/1082822546.db2.gz KZDIFZQGHKSMBR-RXOIRPBWSA-N 0 3 312.457 3.331 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2ccc(F)cc2)CC[C@@H]1C ZINC001132128453 1082823754 /nfs/dbraw/zinc/82/37/54/1082823754.db2.gz LYXAETRMNSUFPK-PUBSZHEZSA-N 0 3 316.420 3.384 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC(C)C)CCC2)CC[C@@H]1C ZINC001132169461 1082829451 /nfs/dbraw/zinc/82/94/51/1082829451.db2.gz OXHQICZPESAMPG-IRXDYDNUSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC001267361961 1082832875 /nfs/dbraw/zinc/83/28/75/1082832875.db2.gz MFESYZHSRBJAKR-QGZVFWFLSA-N 0 3 316.351 3.212 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC001267362066 1082833327 /nfs/dbraw/zinc/83/33/27/1082833327.db2.gz NWDKPARRUKLRND-HOCLYGCPSA-N 0 3 322.399 3.445 20 30 DGEDHN CCCCCC[C@@H](CC)N1CCN(c2nccnc2C#N)CC1 ZINC001170602273 1082833732 /nfs/dbraw/zinc/83/37/32/1082833732.db2.gz YNKNPURCQCFRGN-MRXNPFEDSA-N 0 3 315.465 3.219 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cccc(C)c2)CC[C@@H]1C ZINC001132205945 1082843423 /nfs/dbraw/zinc/84/34/23/1082843423.db2.gz BBQJKYFQQWPWMR-WMZOPIPTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCOCCC(C)C)C1 ZINC001132228826 1082850609 /nfs/dbraw/zinc/85/06/09/1082850609.db2.gz WVDICRHXLCSOAM-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)s1 ZINC001283582051 1082866472 /nfs/dbraw/zinc/86/64/72/1082866472.db2.gz KOXJOESBDGECGX-LLVKDONJSA-N 0 3 300.855 3.304 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C)F)CCC1 ZINC001267423699 1082877526 /nfs/dbraw/zinc/87/75/26/1082877526.db2.gz SYEDEMRQPRBECD-OAGGEKHMSA-N 0 3 308.441 3.156 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccc(F)cc2)CC[C@@H]1C ZINC001132327595 1082881016 /nfs/dbraw/zinc/88/10/16/1082881016.db2.gz RKZITCAYFZZXBX-YJBOKZPZSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132330314 1082883355 /nfs/dbraw/zinc/88/33/55/1082883355.db2.gz FMVTVYVBGRHRJL-JKSUJKDBSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccccc2C)CC[C@H]1C ZINC001132326589 1082886732 /nfs/dbraw/zinc/88/67/32/1082886732.db2.gz FZOOTBNOLMSWKO-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CC(C)(C)C(=O)NCCNCc1cccc(C(F)(F)F)c1 ZINC001132395451 1082898026 /nfs/dbraw/zinc/89/80/26/1082898026.db2.gz BIEREMHLQCASCC-UHFFFAOYSA-N 0 3 314.351 3.123 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC3CCCCC3)C(C)(C)[C@H]21 ZINC001087269872 1082915902 /nfs/dbraw/zinc/91/59/02/1082915902.db2.gz QEBRCKAYSTZFFL-NEWSRXKRSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(C)(F)F)CC[C@@H]1C ZINC001132453362 1082916311 /nfs/dbraw/zinc/91/63/11/1082916311.db2.gz NWGFZNLZHVHYBT-QWHCGFSZSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2cccs2)CC[C@H]1C ZINC001132469991 1082920114 /nfs/dbraw/zinc/92/01/14/1082920114.db2.gz ZXJWOHMGMDPJFX-HUUCEWRRSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2nc(C)c(C)s2)CC[C@@H]1C ZINC001132489181 1082925227 /nfs/dbraw/zinc/92/52/27/1082925227.db2.gz HSBGLMHELWLREL-WFASDCNBSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3=CCCCC3)C(C)(C)[C@@H]21 ZINC001087276636 1082926826 /nfs/dbraw/zinc/92/68/26/1082926826.db2.gz AVMPBUZGFCYTEX-BHIYHBOVSA-N 0 3 314.473 3.115 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(F)=C1CCCC1 ZINC001087281823 1082937949 /nfs/dbraw/zinc/93/79/49/1082937949.db2.gz MURKYQODRBWDML-HYVNUMGLSA-N 0 3 318.436 3.022 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001267482499 1082938514 /nfs/dbraw/zinc/93/85/14/1082938514.db2.gz TULKMXBXAAKCLU-ROUUACIJSA-N 0 3 316.420 3.033 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cccc(F)c2F)CC[C@H]1C ZINC001132545713 1082939184 /nfs/dbraw/zinc/93/91/84/1082939184.db2.gz FGEFHCMTIGJNNX-UKRRQHHQSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(C[C@@H](C)OC)C2)CC1 ZINC001267482641 1082939628 /nfs/dbraw/zinc/93/96/28/1082939628.db2.gz ULTJHVLDMKPJIR-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087284735 1082945160 /nfs/dbraw/zinc/94/51/60/1082945160.db2.gz NBXRKNOAURFPSQ-BRWVUGGUSA-N 0 3 316.489 3.051 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001267488647 1082946106 /nfs/dbraw/zinc/94/61/06/1082946106.db2.gz NTOUAZBILDQYPC-BZSNNMDCSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(C)=C1CCC1 ZINC001087286583 1082948695 /nfs/dbraw/zinc/94/86/95/1082948695.db2.gz UDPCLYVTOWEYFD-FGTMMUONSA-N 0 3 314.473 3.115 20 30 DGEDHN C/C=C(\C)C(=O)NCCCN(Cc1ccc(C#N)s1)C(C)C ZINC001267500707 1082960033 /nfs/dbraw/zinc/96/00/33/1082960033.db2.gz GWGAQVPTBGIDEH-LHHJGKSTSA-N 0 3 319.474 3.303 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132660019 1082973392 /nfs/dbraw/zinc/97/33/92/1082973392.db2.gz HJIZJMIJLQBCBP-ZDUSSCGKSA-N 0 3 324.852 3.157 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001132662981 1082975342 /nfs/dbraw/zinc/97/53/42/1082975342.db2.gz NBIYEEPVMOKSAO-STQMWFEESA-N 0 3 310.388 3.334 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC001267520076 1082979432 /nfs/dbraw/zinc/97/94/32/1082979432.db2.gz IXIBRYXHZKXYEY-HUUCEWRRSA-N 0 3 308.372 3.055 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(CCOCC)C2)CC1 ZINC001267546944 1083015668 /nfs/dbraw/zinc/01/56/68/1083015668.db2.gz UISIWAPHDWFSOX-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nccs2)C1 ZINC001133090919 1083048981 /nfs/dbraw/zinc/04/89/81/1083048981.db2.gz MFUCOSNHVDEWQF-CABCVRRESA-N 0 3 321.490 3.074 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(Cl)ccc1C#N ZINC001170678585 1083096492 /nfs/dbraw/zinc/09/64/92/1083096492.db2.gz ASYVMTPXDOIJLT-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001133378160 1083109624 /nfs/dbraw/zinc/10/96/24/1083109624.db2.gz BMDBPWOMJRJENB-INIZCTEOSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001133381250 1083110764 /nfs/dbraw/zinc/11/07/64/1083110764.db2.gz ZRRACATWGJXZIX-FUHWJXTLSA-N 0 3 322.399 3.260 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)CC ZINC001133382651 1083111457 /nfs/dbraw/zinc/11/14/57/1083111457.db2.gz SQZPKUHTOLBOBI-HNNXBMFYSA-N 0 3 320.864 3.328 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)C ZINC001133389588 1083113936 /nfs/dbraw/zinc/11/39/36/1083113936.db2.gz XCJQNEXOHUGGMD-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)/C(C)=C/C ZINC001133390992 1083114611 /nfs/dbraw/zinc/11/46/11/1083114611.db2.gz RZEMNVAOVITTLV-PJQLUOCWSA-N 0 3 318.848 3.248 20 30 DGEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)CC1(C)CCCCC1 ZINC001481048356 1083133726 /nfs/dbraw/zinc/13/37/26/1083133726.db2.gz VXARNRNUEJMPPA-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001481097004 1083167676 /nfs/dbraw/zinc/16/76/76/1083167676.db2.gz WYIUIADCWILLTM-MRXNPFEDSA-N 0 3 318.436 3.429 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001481118955 1083194992 /nfs/dbraw/zinc/19/49/92/1083194992.db2.gz KPRYCKZRVFGXSI-ZWKOTPCHSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001481154376 1083215286 /nfs/dbraw/zinc/21/52/86/1083215286.db2.gz SEKYWGKTEGPBHI-UHFFFAOYSA-N 0 3 314.473 3.350 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1c(CC)oc2ccccc21 ZINC001481155390 1083215451 /nfs/dbraw/zinc/21/54/51/1083215451.db2.gz YKIPBNMAWCMKDW-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2scnc2CC)C1 ZINC001267628459 1083231524 /nfs/dbraw/zinc/23/15/24/1083231524.db2.gz XCXNOBDUQWZDEE-KBPBESRZSA-N 0 3 321.490 3.254 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2oncc2C)C1 ZINC001267633939 1083236686 /nfs/dbraw/zinc/23/66/86/1083236686.db2.gz VYBPXTCXWCPJHG-HNNXBMFYSA-N 0 3 307.438 3.148 20 30 DGEDHN C#CCC1(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCCC1 ZINC001134293808 1083265166 /nfs/dbraw/zinc/26/51/66/1083265166.db2.gz UAPQCEFWPKTEGZ-GOSISDBHSA-N 0 3 308.441 3.041 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)/C=C(\C)CC ZINC001134285479 1083267628 /nfs/dbraw/zinc/26/76/28/1083267628.db2.gz SNNYOQUSFPBMAF-ILGUYDGLSA-N 0 3 317.271 3.124 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)c1ccccc1 ZINC001267716050 1083279764 /nfs/dbraw/zinc/27/97/64/1083279764.db2.gz HJAXTVWFSJPNSU-HOJAQTOUSA-N 0 3 324.468 3.432 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001267722807 1083283441 /nfs/dbraw/zinc/28/34/41/1083283441.db2.gz MCARBNUJXBTFBH-BEFAXECRSA-N 0 3 312.457 3.393 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001134410239 1083284944 /nfs/dbraw/zinc/28/49/44/1083284944.db2.gz KRDDIYXIYNGGKJ-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001134411935 1083285237 /nfs/dbraw/zinc/28/52/37/1083285237.db2.gz MXXTWYVXPYGHCG-MRXNPFEDSA-N 0 3 322.399 3.260 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@@H](C)NCc1conc1C ZINC001134419272 1083287315 /nfs/dbraw/zinc/28/73/15/1083287315.db2.gz VPGXSQUYLJRGMB-ZIAGYGMSSA-N 0 3 319.449 3.124 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001267734478 1083292775 /nfs/dbraw/zinc/29/27/75/1083292775.db2.gz KMAVZZBAAYHMJK-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134469969 1083294152 /nfs/dbraw/zinc/29/41/52/1083294152.db2.gz KNDOALIEBLDZIF-CHWSQXEVSA-N 0 3 309.479 3.181 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1conc1CC ZINC001134454011 1083295235 /nfs/dbraw/zinc/29/52/35/1083295235.db2.gz PKAALOMMUTYFPP-KBPBESRZSA-N 0 3 321.465 3.212 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CC)CCCC)C[C@H]1C(F)(F)F ZINC001112052045 1083310357 /nfs/dbraw/zinc/31/03/57/1083310357.db2.gz WNNOVXRNNHSLTI-MGPQQGTHSA-N 0 3 320.399 3.368 20 30 DGEDHN CC1(C)[C@@H]2C[C@@H](N3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC001170762240 1083313813 /nfs/dbraw/zinc/31/38/13/1083313813.db2.gz SKSKNLFJEPBPJD-PHZGNYQRSA-N 0 3 313.420 3.254 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001267773016 1083335916 /nfs/dbraw/zinc/33/59/16/1083335916.db2.gz YVGHUOUOWYUDOT-GOSISDBHSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001267773017 1083335942 /nfs/dbraw/zinc/33/59/42/1083335942.db2.gz YVGHUOUOWYUDOT-SFHVURJKSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCC(=O)N(CC)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001267781500 1083343844 /nfs/dbraw/zinc/34/38/44/1083343844.db2.gz JAHBQJHMQFLFLF-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCCC(=O)N(CC)[C@H]1CCN(Cc2csc(C)c2)C1 ZINC001267781514 1083344037 /nfs/dbraw/zinc/34/40/37/1083344037.db2.gz JDWBPOBIMGHLJS-INIZCTEOSA-N 0 3 306.475 3.446 20 30 DGEDHN CCc1ccccc1CN1CC[C@@H](N(CC)C(=O)C#CC2CC2)C1 ZINC001267785234 1083346506 /nfs/dbraw/zinc/34/65/06/1083346506.db2.gz UFRZJHNGDDTIFR-HXUWFJFHSA-N 0 3 324.468 3.085 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2c(C)nsc2C)CCCC1 ZINC001267833466 1083411507 /nfs/dbraw/zinc/41/15/07/1083411507.db2.gz BJKJHDAKMHRHTF-UHFFFAOYSA-N 0 3 321.490 3.245 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccn(C)c2)CCCC[C@@H]1C ZINC001267866203 1083480151 /nfs/dbraw/zinc/48/01/51/1083480151.db2.gz KECOXAVFXTVRJH-SUMWQHHRSA-N 0 3 323.868 3.046 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2ocnc2C)CCCC[C@@H]1C ZINC001267869944 1083489746 /nfs/dbraw/zinc/48/97/46/1083489746.db2.gz YIZOXTOHIBVJJT-KSSFIOAISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cc[nH]c2CC)C1 ZINC001267883751 1083514205 /nfs/dbraw/zinc/51/42/05/1083514205.db2.gz KOMYJUHCFDSQCS-CQSZACIVSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001267891865 1083523583 /nfs/dbraw/zinc/52/35/83/1083523583.db2.gz XWOJEDVCZRMAPI-GJZGRUSLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001267892558 1083524715 /nfs/dbraw/zinc/52/47/15/1083524715.db2.gz HQCDPQDVHPICPU-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN CCC(=CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1)CC ZINC001181989559 1083596218 /nfs/dbraw/zinc/59/62/18/1083596218.db2.gz SJBXOXHIJGNHDS-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2c(C)cccc2C)cc1 ZINC001267939569 1083603671 /nfs/dbraw/zinc/60/36/71/1083603671.db2.gz XQUCFKRJUBONOI-UHFFFAOYSA-N 0 3 320.436 3.346 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C(CC)(CC)CC)cc1 ZINC001267939325 1083607201 /nfs/dbraw/zinc/60/72/01/1083607201.db2.gz LRNAQAABTHULAD-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCCCCF)C2)cc1 ZINC001267956389 1083647041 /nfs/dbraw/zinc/64/70/41/1083647041.db2.gz GADHSJBMCIPJGS-GOSISDBHSA-N 0 3 316.420 3.002 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001182221175 1083655925 /nfs/dbraw/zinc/65/59/25/1083655925.db2.gz YKBWNACOUPAGIY-LSDHHAIUSA-N 0 3 318.848 3.395 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001267964062 1083657506 /nfs/dbraw/zinc/65/75/06/1083657506.db2.gz ZJQXDUCTXQAIIU-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)no1)C2 ZINC001110278909 1083685108 /nfs/dbraw/zinc/68/51/08/1083685108.db2.gz IJVUCPWYKJCFNM-OAGGEKHMSA-N 0 3 319.449 3.289 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC001182542842 1083751169 /nfs/dbraw/zinc/75/11/69/1083751169.db2.gz HDCPWWQVOIOMKA-AWEZNQCLSA-N 0 3 302.418 3.160 20 30 DGEDHN CC(C)=CC(=O)NCCCN(Cc1ccc(C#N)s1)C(C)C ZINC001481345537 1083795123 /nfs/dbraw/zinc/79/51/23/1083795123.db2.gz TXHVRSBRNDWBGR-UHFFFAOYSA-N 0 3 319.474 3.303 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1c(C)nsc1C)c1ccccc1 ZINC001481374537 1083835574 /nfs/dbraw/zinc/83/55/74/1083835574.db2.gz RXDDCSQIKHNMPP-OAHLLOKOSA-N 0 3 315.442 3.007 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001182904723 1083837252 /nfs/dbraw/zinc/83/72/52/1083837252.db2.gz JHHCHWHVSVYVAJ-MRXNPFEDSA-N 0 3 318.436 3.427 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1c1ccccc1 ZINC001211670789 1083845270 /nfs/dbraw/zinc/84/52/70/1083845270.db2.gz JDZGGSDDUWYRBE-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)COc2ccsc2)C1 ZINC001481409762 1083882626 /nfs/dbraw/zinc/88/26/26/1083882626.db2.gz SKCGJKPYVJWLPN-OAHLLOKOSA-N 0 3 322.474 3.016 20 30 DGEDHN CC(C)=CC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001268030532 1083883178 /nfs/dbraw/zinc/88/31/78/1083883178.db2.gz HDPPBCZKOHYEHR-UHFFFAOYSA-N 0 3 310.441 3.023 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2=CCCC2)C1 ZINC001087425379 1083974401 /nfs/dbraw/zinc/97/44/01/1083974401.db2.gz RTDAVJOHGDVWHX-WOJBJXKFSA-N 0 3 322.452 3.094 20 30 DGEDHN C#CCCCC(=O)N1CCC2(CN(Cc3ccccc3C)C2)CC1 ZINC001268043785 1083975788 /nfs/dbraw/zinc/97/57/88/1083975788.db2.gz OYLHRBAAERWHPF-UHFFFAOYSA-N 0 3 324.468 3.223 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211692793 1083989914 /nfs/dbraw/zinc/98/99/14/1083989914.db2.gz LMBBJUVDTNZHMY-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](CC)CC(C)C)CC2 ZINC001268047197 1084005492 /nfs/dbraw/zinc/00/54/92/1084005492.db2.gz VYSFMNOOWSBLRI-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001481528857 1084084232 /nfs/dbraw/zinc/08/42/32/1084084232.db2.gz OOBPHQUGLOUZPV-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001481531217 1084087898 /nfs/dbraw/zinc/08/78/98/1084087898.db2.gz UCJFOJPZDIEZSV-WSSFADSRSA-N 0 3 310.441 3.002 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001481533635 1084093441 /nfs/dbraw/zinc/09/34/41/1084093441.db2.gz ASKOMRGPYNJPMD-HNNXBMFYSA-N 0 3 321.490 3.392 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)[C@H](CC)CCC)C[C@H]1c1ccccc1 ZINC001211698401 1084152053 /nfs/dbraw/zinc/15/20/53/1084152053.db2.gz MGXBNJAQZFHOBK-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001184321039 1084158512 /nfs/dbraw/zinc/15/85/12/1084158512.db2.gz NJWCUFCDAIKYQL-LJQANCHMSA-N 0 3 310.441 3.172 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001184499309 1084202358 /nfs/dbraw/zinc/20/23/58/1084202358.db2.gz YWOCRGZGHRGGEO-CABCVRRESA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(CCC(F)(F)F)C2 ZINC001273487520 1084212314 /nfs/dbraw/zinc/21/23/14/1084212314.db2.gz LVOPSKJQXMQZGF-HNNXBMFYSA-N 0 3 318.383 3.362 20 30 DGEDHN CC[C@H](C)C(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001273489127 1084223521 /nfs/dbraw/zinc/22/35/21/1084223521.db2.gz XCKGIZJQFPLJPC-AWEZNQCLSA-N 0 3 319.424 3.024 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@H](C)NCc2csc(C)n2)C1 ZINC001268167764 1084269708 /nfs/dbraw/zinc/26/97/08/1084269708.db2.gz HBVSUHLLJDISGN-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001268171940 1084281535 /nfs/dbraw/zinc/28/15/35/1084281535.db2.gz CIHKRSYLTMMEBW-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001481639719 1084329025 /nfs/dbraw/zinc/32/90/25/1084329025.db2.gz FUXHQIJUTXTTPT-KXBFYZLASA-N 0 3 312.457 3.324 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)c1cccs1)C(C)C ZINC001268219207 1084346028 /nfs/dbraw/zinc/34/60/28/1084346028.db2.gz MKNZGNHFAKFQGM-OLZOCXBDSA-N 0 3 314.882 3.335 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C ZINC001268217951 1084341570 /nfs/dbraw/zinc/34/15/70/1084341570.db2.gz FXJBUSZMJDSLRD-ZDUSSCGKSA-N 0 3 319.276 3.229 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C(C)C)cn1)C(C)C ZINC001268220973 1084348251 /nfs/dbraw/zinc/34/82/51/1084348251.db2.gz UKYBPAQXNREBTC-INIZCTEOSA-N 0 3 323.868 3.302 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(C(F)F)c1F ZINC001268236509 1084382365 /nfs/dbraw/zinc/38/23/65/1084382365.db2.gz CKGNNGYVNHBHFV-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C[C@H](CC)OC)C2)CCCC1 ZINC001268239205 1084388805 /nfs/dbraw/zinc/38/88/05/1084388805.db2.gz MFJRWSXWRJWADE-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001185305554 1084411708 /nfs/dbraw/zinc/41/17/08/1084411708.db2.gz VKRBVHJZHGWQHG-MRXNPFEDSA-N 0 3 304.409 3.181 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](CC)Cc1ccccc1C ZINC001268255286 1084417837 /nfs/dbraw/zinc/41/78/37/1084417837.db2.gz VYHRWTSBWPZJCA-KRWDZBQOSA-N 0 3 302.462 3.140 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](CC)CCCC)C1 ZINC001111813845 1084422938 /nfs/dbraw/zinc/42/29/38/1084422938.db2.gz CXYZVMRQACZBQT-AOIWGVFYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001481667011 1084459562 /nfs/dbraw/zinc/45/95/62/1084459562.db2.gz GFRWNNDELXATEX-KBMXLJTQSA-N 0 3 302.418 3.150 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001481668018 1084461000 /nfs/dbraw/zinc/46/10/00/1084461000.db2.gz ZLSUDNNNVMQKNR-NNPSNHGLSA-N 0 3 304.478 3.288 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/c1ccccc1 ZINC001481668138 1084461389 /nfs/dbraw/zinc/46/13/89/1084461389.db2.gz QNJVLTNOLDZFDC-RPTPJDKGSA-N 0 3 310.441 3.341 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001481673910 1084469761 /nfs/dbraw/zinc/46/97/61/1084469761.db2.gz FXNDJKXJQSPFMC-ADHGMGHFSA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)cc(OC)c1C ZINC001268383217 1084546021 /nfs/dbraw/zinc/54/60/21/1084546021.db2.gz WRWUABNLVHQDOO-ZDUSSCGKSA-N 0 3 324.852 3.163 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCc2ccc(C)cc2)C1 ZINC001481740631 1084557602 /nfs/dbraw/zinc/55/76/02/1084557602.db2.gz QTEJCBOYNJIFAU-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001481741569 1084558822 /nfs/dbraw/zinc/55/88/22/1084558822.db2.gz NXAZWQMYLNSZRI-SJORKVTESA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(C)c1Cl ZINC001268409851 1084575843 /nfs/dbraw/zinc/57/58/43/1084575843.db2.gz QCYFFUWKUVGLJN-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2cccnc2c1 ZINC001268408684 1084575859 /nfs/dbraw/zinc/57/58/59/1084575859.db2.gz CSRYCRCMXKVDQL-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001481778354 1084630242 /nfs/dbraw/zinc/63/02/42/1084630242.db2.gz VKCDJNHGZZUFHN-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN CC[C@H](CNC(=O)/C=C/C(C)(C)C)NCc1ccc(C#N)s1 ZINC001481796429 1084643579 /nfs/dbraw/zinc/64/35/79/1084643579.db2.gz CTSSTOYMFQDKHJ-MMQHEFTJSA-N 0 3 319.474 3.206 20 30 DGEDHN CC[C@H](CNC(=O)C#CC1CC1)N[C@H](C)c1ccccc1Cl ZINC001481811214 1084649288 /nfs/dbraw/zinc/64/92/88/1084649288.db2.gz NSOJUTHWOBTJDH-UKRRQHHQSA-N 0 3 318.848 3.299 20 30 DGEDHN CCC(CC)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001186623025 1084675554 /nfs/dbraw/zinc/67/55/54/1084675554.db2.gz USYPZYWRGPKLLF-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H]2CCCN(CCF)CC2)CC1 ZINC001186589596 1084678376 /nfs/dbraw/zinc/67/83/76/1084678376.db2.gz PZPLTJSLEVRMQV-INIZCTEOSA-N 0 3 310.457 3.263 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C1(CC)CCC1 ZINC001268472242 1084679965 /nfs/dbraw/zinc/67/99/65/1084679965.db2.gz NRZAYWMIXSRPBC-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCN(C)CCN(CC)c1ncnc2sc(C)c(C)c21 ZINC001186853405 1084708643 /nfs/dbraw/zinc/70/86/43/1084708643.db2.gz BSPQMKWLYFMDHQ-UHFFFAOYSA-N 0 3 304.463 3.252 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001187239786 1084773417 /nfs/dbraw/zinc/77/34/17/1084773417.db2.gz HWZRWCGAGINZMI-JKSUJKDBSA-N 0 3 304.459 3.055 20 30 DGEDHN CN(C)Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)cc1 ZINC001187277973 1084780173 /nfs/dbraw/zinc/78/01/73/1084780173.db2.gz PUYVJMTXVYITCR-UHFFFAOYSA-N 0 3 322.412 3.197 20 30 DGEDHN C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CC2)C1 ZINC001087461369 1084825822 /nfs/dbraw/zinc/82/58/22/1084825822.db2.gz DZTZWJQUGZIFGR-QZTJIDSGSA-N 0 3 316.420 3.086 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@H](OC)C1 ZINC001211822922 1084849045 /nfs/dbraw/zinc/84/90/45/1084849045.db2.gz NUFDFNUZVWZNNM-KZNAEPCWSA-N 0 3 322.493 3.129 20 30 DGEDHN Cc1cccc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)c1 ZINC001268720023 1084975929 /nfs/dbraw/zinc/97/59/29/1084975929.db2.gz FHDWUMIYEFYUGT-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001268731760 1084997712 /nfs/dbraw/zinc/99/77/12/1084997712.db2.gz AYSGSUJGFXIUKM-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268750696 1085022156 /nfs/dbraw/zinc/02/21/56/1085022156.db2.gz HXGQUDNCSINSLM-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](CC)Cc1ccccc1C ZINC001268750486 1085022793 /nfs/dbraw/zinc/02/27/93/1085022793.db2.gz BJOLMRWRJGROMD-SJORKVTESA-N 0 3 302.462 3.186 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1C ZINC001104001571 1085024583 /nfs/dbraw/zinc/02/45/83/1085024583.db2.gz WEYPZXWEOVBCKE-VEXXYJEVSA-N 0 3 312.885 3.415 20 30 DGEDHN C[C@@H](C#N)C(=O)NCC1CN([C@@H](C)c2ccc3ccccc3c2)C1 ZINC001268813745 1085061044 /nfs/dbraw/zinc/06/10/44/1085061044.db2.gz FWQMBRPSPHFDIB-GJZGRUSLSA-N 0 3 321.424 3.108 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCc1nc(C)c(C)s1 ZINC001268835162 1085064472 /nfs/dbraw/zinc/06/44/72/1085064472.db2.gz FOVVKVORGVFKMU-KRWDZBQOSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001268954246 1085085552 /nfs/dbraw/zinc/08/55/52/1085085552.db2.gz PPTFFRZFXFBRMZ-ZDUSSCGKSA-N 0 3 312.816 3.120 20 30 DGEDHN C=CC[C@H](C)C(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001268967904 1085091735 /nfs/dbraw/zinc/09/17/35/1085091735.db2.gz GJWGWEMROGHGHG-QFBILLFUSA-N 0 3 315.461 3.041 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001269103784 1085126647 /nfs/dbraw/zinc/12/66/47/1085126647.db2.gz DATKNYYGWQWKGG-OAHLLOKOSA-N 0 3 307.438 3.066 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001269257122 1085241363 /nfs/dbraw/zinc/24/13/63/1085241363.db2.gz OHXNWCFMHWHAOU-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001269291867 1085277831 /nfs/dbraw/zinc/27/78/31/1085277831.db2.gz JHSPUNPBCFHMHQ-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001269310593 1085295046 /nfs/dbraw/zinc/29/50/46/1085295046.db2.gz 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C=CCN1CC=C(CCNC(=O)c2ccc3ccn(C)c3c2)CC1 ZINC001161645986 1085822167 /nfs/dbraw/zinc/82/21/67/1085822167.db2.gz XOHUVQAEALKTNE-UHFFFAOYSA-N 0 3 323.440 3.116 20 30 DGEDHN CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001270502392 1085834148 /nfs/dbraw/zinc/83/41/48/1085834148.db2.gz VKPPPQROEPJLNV-VQHPVUNQSA-N 0 3 305.466 3.038 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(CCC)CCC1)C2 ZINC001270514039 1085840875 /nfs/dbraw/zinc/84/08/75/1085840875.db2.gz TYZUUPDTMDBPAB-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001270590739 1085875215 /nfs/dbraw/zinc/87/52/15/1085875215.db2.gz RNBRURFNBNBXEB-IBGZPJMESA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC001280275044 1085960739 /nfs/dbraw/zinc/96/07/39/1085960739.db2.gz WAPSJVILPHAWBE-INIZCTEOSA-N 0 3 320.864 3.498 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001482321683 1085962979 /nfs/dbraw/zinc/96/29/79/1085962979.db2.gz 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C=CCN1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@H]1CC ZINC001087585098 1086321342 /nfs/dbraw/zinc/32/13/42/1086321342.db2.gz ODCVUQPYENOWBV-RBUKOAKNSA-N 0 3 312.457 3.334 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)[C@H]1CC ZINC001087623838 1086330789 /nfs/dbraw/zinc/33/07/89/1086330789.db2.gz YOEBQLYGYBPLHH-GBESFXJTSA-N 0 3 312.457 3.262 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)[C@H]1CC ZINC001087624976 1086331154 /nfs/dbraw/zinc/33/11/54/1086331154.db2.gz KIUFCVBNCYQDES-SLFFLAALSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2Cl)[C@H]1CC ZINC001087628786 1086332284 /nfs/dbraw/zinc/33/22/84/1086332284.db2.gz LXFGXABRFGWBBU-DLBZAZTESA-N 0 3 320.864 3.346 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2C2CC2)[C@H]1CC ZINC001087641180 1086335556 /nfs/dbraw/zinc/33/55/56/1086335556.db2.gz TWKPHKRZNISDBS-DLBZAZTESA-N 0 3 313.445 3.118 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)[C@H]1CC ZINC001087662360 1086345850 /nfs/dbraw/zinc/34/58/50/1086345850.db2.gz GIJKSDHGRCIPSR-ZWKOTPCHSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H]1CC ZINC001087670335 1086348793 /nfs/dbraw/zinc/34/87/93/1086348793.db2.gz MSWRENWVYBSQFE-RBUKOAKNSA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H]1CC ZINC001087736431 1086384871 /nfs/dbraw/zinc/38/48/71/1086384871.db2.gz QGOSPWDRMRNLCZ-LSDHHAIUSA-N 0 3 322.399 3.432 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1CC ZINC001087749197 1086393974 /nfs/dbraw/zinc/39/39/74/1086393974.db2.gz YDDRBHGOHKKWDY-QWHCGFSZSA-N 0 3 310.850 3.008 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1CC ZINC001087795947 1086413361 /nfs/dbraw/zinc/41/33/61/1086413361.db2.gz AYJQEWJAUXGDPQ-JKSUJKDBSA-N 0 3 304.434 3.391 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1CC ZINC001087801398 1086414367 /nfs/dbraw/zinc/41/43/67/1086414367.db2.gz MRLSOUSICAVTEL-NZSAHSFTSA-N 0 3 312.457 3.091 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1CC ZINC001087805878 1086418646 /nfs/dbraw/zinc/41/86/46/1086418646.db2.gz ANQCNVABNLTTTE-JKSUJKDBSA-N 0 3 306.837 3.499 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)[C@H]1CC ZINC001087815090 1086422872 /nfs/dbraw/zinc/42/28/72/1086422872.db2.gz TVWSBWQUFLTVAB-YESZJQIVSA-N 0 3 318.848 3.135 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H](F)CC)C[C@H]2C1 ZINC001088064706 1086540162 /nfs/dbraw/zinc/54/01/62/1086540162.db2.gz QUIFFYRQEUEMDX-PMPSAXMXSA-N 0 3 310.457 3.117 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CCC(C)C)C2)CC1 ZINC001271437161 1086622036 /nfs/dbraw/zinc/62/20/36/1086622036.db2.gz FXCZLWFDKFMYLF-SFHVURJKSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CCC(C)C)C2)CC1 ZINC001271437159 1086622209 /nfs/dbraw/zinc/62/22/09/1086622209.db2.gz FXCZLWFDKFMYLF-GOSISDBHSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001088170192 1086638419 /nfs/dbraw/zinc/63/84/19/1086638419.db2.gz IRISKBQXBBQGSM-KURKYZTESA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@H]1CCNCC(=C)Cl ZINC001271514743 1086673697 /nfs/dbraw/zinc/67/36/97/1086673697.db2.gz ULDIEFFHETUFFH-INIZCTEOSA-N 0 3 310.869 3.293 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC001271625419 1086692116 /nfs/dbraw/zinc/69/21/16/1086692116.db2.gz HHDSZQMZEWBWSL-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN CCCC(=O)NC[C@@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC001271800010 1086771155 /nfs/dbraw/zinc/77/11/55/1086771155.db2.gz OYSZOWGXDKCFBH-QGZVFWFLSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C(F)=C(C)C)C1 ZINC001088294745 1086773247 /nfs/dbraw/zinc/77/32/47/1086773247.db2.gz GHASRKACLJYWKM-CYBMUJFWSA-N 0 3 302.821 3.363 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)C=C(C)C)CC1 ZINC001271826469 1086784372 /nfs/dbraw/zinc/78/43/72/1086784372.db2.gz GDIHYZHWKIBTMZ-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)CC(F)(F)F)C(C)C ZINC001271877937 1086804607 /nfs/dbraw/zinc/80/46/07/1086804607.db2.gz MWYWBPVJMRODRN-KOLCDFICSA-N 0 3 314.779 3.058 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cc(F)ccc1F)C(C)C ZINC001482546339 1086843690 /nfs/dbraw/zinc/84/36/90/1086843690.db2.gz BHFBNGYIFFIFCE-MRXNPFEDSA-N 0 3 324.415 3.407 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001088366334 1086868004 /nfs/dbraw/zinc/86/80/04/1086868004.db2.gz IPGVZXKMUZNJPD-JJXSEGSLSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(CF)CCC2)C1 ZINC001088385972 1086901205 /nfs/dbraw/zinc/90/12/05/1086901205.db2.gz ZBVFFJDYGWTFBS-CQSZACIVSA-N 0 3 316.848 3.240 20 30 DGEDHN Cc1cc(Cl)ccc1CN(C)CCN(C)C(=O)C#CC(C)C ZINC001482594919 1087024822 /nfs/dbraw/zinc/02/48/22/1087024822.db2.gz JNGCIDLTMQAIJM-UHFFFAOYSA-N 0 3 320.864 3.198 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2ccccc2cc1F ZINC001482612257 1087055995 /nfs/dbraw/zinc/05/59/95/1087055995.db2.gz WWFNGHFRCSPXFA-UHFFFAOYSA-N 0 3 312.388 3.006 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2sc(C3CC3)nc2C)[C@H]1C ZINC001088563706 1087066373 /nfs/dbraw/zinc/06/63/73/1087066373.db2.gz BISSLCCXEZDTMX-OCCSQVGLSA-N 0 3 319.474 3.098 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)Cc1ccccc1Cl ZINC001482633005 1087096060 /nfs/dbraw/zinc/09/60/60/1087096060.db2.gz ZVKURSJAVGRPFE-OAHLLOKOSA-N 0 3 322.880 3.485 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)[C@H]1C ZINC001088583363 1087108633 /nfs/dbraw/zinc/10/86/33/1087108633.db2.gz PNLNGBRUGFPASM-WBVHZDCISA-N 0 3 316.445 3.081 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H]1CNCc1c(F)cccc1F ZINC001482673131 1087122397 /nfs/dbraw/zinc/12/23/97/1087122397.db2.gz UQLLMJQJEIPOFI-GUYCJALGSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1c(F)cccc1F ZINC001482673132 1087122500 /nfs/dbraw/zinc/12/25/00/1087122500.db2.gz UQLLMJQJEIPOFI-SUMWQHHRSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNCc1cscn1 ZINC001482678876 1087136090 /nfs/dbraw/zinc/13/60/90/1087136090.db2.gz MQCOXNLEEMGZTK-HIFRSBDPSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1ccncc1Cl ZINC001482837319 1087168352 /nfs/dbraw/zinc/16/83/52/1087168352.db2.gz XBLNPGFCMKHUSV-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2cc(C)cn2c1 ZINC001482839899 1087168507 /nfs/dbraw/zinc/16/85/07/1087168507.db2.gz OACPLFPGRTZSSS-CQSZACIVSA-N 0 3 319.836 3.098 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C)c(Cl)c1 ZINC001482868280 1087176507 /nfs/dbraw/zinc/17/65/07/1087176507.db2.gz RWHDGJNTOMYOCT-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001272137019 1087216983 /nfs/dbraw/zinc/21/69/83/1087216983.db2.gz BJRRYXBPHUEODM-IAGOWNOFSA-N 0 3 306.494 3.252 20 30 DGEDHN C=CCCC(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC001482989122 1087222251 /nfs/dbraw/zinc/22/22/51/1087222251.db2.gz SRNXDMGPDSEMMA-VGOKWCNXSA-N 0 3 302.393 3.041 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nc(C)sc1C ZINC001272242537 1087391084 /nfs/dbraw/zinc/39/10/84/1087391084.db2.gz DPYNOLNTOHZZPZ-HUUCEWRRSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1C ZINC001088833768 1087409794 /nfs/dbraw/zinc/40/97/94/1087409794.db2.gz ITJOLICCAWETJQ-ZENOOKHLSA-N 0 3 306.837 3.209 20 30 DGEDHN CCC[C@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)C(C)C ZINC001483271508 1087454610 /nfs/dbraw/zinc/45/46/10/1087454610.db2.gz PYFBTIGSWGOWGZ-HKUYNNGSSA-N 0 3 314.473 3.205 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001483455796 1087508131 /nfs/dbraw/zinc/50/81/31/1087508131.db2.gz DJXNFTVBHHGNRU-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCNCC=C(Cl)Cl ZINC001483468387 1087509643 /nfs/dbraw/zinc/50/96/43/1087509643.db2.gz HWEYLRSAKJBXAV-UHFFFAOYSA-N 0 3 307.265 3.346 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001483499985 1087516210 /nfs/dbraw/zinc/51/62/10/1087516210.db2.gz GNNYNXWOGKHBDH-HZPDHXFCSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)[C@H](C)[C@H](C)CC ZINC001483500339 1087516486 /nfs/dbraw/zinc/51/64/86/1087516486.db2.gz OROHRKBGRHIKCH-DGCLKSJQSA-N 0 3 319.287 3.015 20 30 DGEDHN Cc1ccc(CN(CCO)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001168392256 1087550563 /nfs/dbraw/zinc/55/05/63/1087550563.db2.gz FOHNIMCMTYSWKQ-UHFFFAOYSA-N 0 3 308.425 3.478 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@H]1C ZINC001088879716 1087595462 /nfs/dbraw/zinc/59/54/62/1087595462.db2.gz INFBNQBWPMGRPQ-ZBRFXRBCSA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)[C@H]1C ZINC001088907906 1087602191 /nfs/dbraw/zinc/60/21/91/1087602191.db2.gz UGGYJAAYYRVCOH-HITAIPBASA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2Cl)[C@H]1C ZINC001088928231 1087605803 /nfs/dbraw/zinc/60/58/03/1087605803.db2.gz TXFWARWAUZKDDG-HIFRSBDPSA-N 0 3 306.837 3.417 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C(C)(C)C)c2)[C@H]1C ZINC001088933811 1087606569 /nfs/dbraw/zinc/60/65/69/1087606569.db2.gz UIACQNGNKOVLDG-QAPCUYQASA-N 0 3 312.457 3.200 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H]1C ZINC001088996176 1087617195 /nfs/dbraw/zinc/61/71/95/1087617195.db2.gz GCKOXSJMUSVKID-RISCZKNCSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2C2CC2)[C@H]1C ZINC001089021654 1087622546 /nfs/dbraw/zinc/62/25/46/1087622546.db2.gz BZAATBRFELBQRH-DOMZBBRYSA-N 0 3 304.459 3.394 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccccc3)CCCC2)[C@H]1C ZINC001089023732 1087623270 /nfs/dbraw/zinc/62/32/70/1087623270.db2.gz NOHRWYSLMKVGCL-MJGOQNOKSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001099085271 1087624707 /nfs/dbraw/zinc/62/47/07/1087624707.db2.gz MJCLYXVRFFHFPI-YLJYHZDGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1C ZINC001089055310 1087627935 /nfs/dbraw/zinc/62/79/35/1087627935.db2.gz FHFCBAXNJNUGHC-JZXOWHBKSA-N 0 3 300.446 3.254 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1C ZINC001089069613 1087631220 /nfs/dbraw/zinc/63/12/20/1087631220.db2.gz MZTBXJFCMATFLW-RNJTYBCJSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001483688719 1087655431 /nfs/dbraw/zinc/65/54/31/1087655431.db2.gz KPLNDLNKYZNAAP-OAHLLOKOSA-N 0 3 316.420 3.014 20 30 DGEDHN COc1cccc(/C=N/CCN(C)Cc2ccc(F)cc2)c1O ZINC000176414540 1087731454 /nfs/dbraw/zinc/73/14/54/1087731454.db2.gz FPJUACNAYKIQJN-UDWIEESQSA-N 0 3 316.376 3.091 20 30 DGEDHN CC(C)(C)CCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272495794 1087750057 /nfs/dbraw/zinc/75/00/57/1087750057.db2.gz QPFLGSRLABOIRX-SFHVURJKSA-N 0 3 305.466 3.183 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001158329337 1087778247 /nfs/dbraw/zinc/77/82/47/1087778247.db2.gz MYJDSFZGPAPSHZ-GOSISDBHSA-N 0 3 322.493 3.248 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)s2)CC(C)(C)C1 ZINC001089302280 1087798319 /nfs/dbraw/zinc/79/83/19/1087798319.db2.gz BWDZHCHLOFLXEE-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccn(C(C)C)c1C ZINC001158397142 1087807162 /nfs/dbraw/zinc/80/71/62/1087807162.db2.gz HDUOSDZJPJOCIV-QGZVFWFLSA-N 0 3 317.477 3.490 20 30 DGEDHN C=C1CCC(C(=O)N2CCCC[C@@H]2CN(C)CCOCC)CC1 ZINC001158434343 1087836361 /nfs/dbraw/zinc/83/63/61/1087836361.db2.gz HNHVGUPRPSNIML-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C[C@@H](CC(=O)NCCNCc1ccsc1)c1ccccc1 ZINC001151947404 1087840767 /nfs/dbraw/zinc/84/07/67/1087840767.db2.gz XRESJSSLROVDER-INIZCTEOSA-N 0 3 314.454 3.314 20 30 DGEDHN CN1CCC(N(c2ncc(Cl)cc2C#N)C2CCCC2)CC1 ZINC001158487498 1087859644 /nfs/dbraw/zinc/85/96/44/1087859644.db2.gz DIFCHRBQXQPEBF-UHFFFAOYSA-N 0 3 318.852 3.450 20 30 DGEDHN Cc1nc(N(C2CCCC2)C2CCN(C)CC2)ccc1CC#N ZINC001158487713 1087860070 /nfs/dbraw/zinc/86/00/70/1087860070.db2.gz NYWFPLZUCUKLII-UHFFFAOYSA-N 0 3 312.461 3.299 20 30 DGEDHN CC[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)c(F)c1 ZINC001152019628 1087873436 /nfs/dbraw/zinc/87/34/36/1087873436.db2.gz VPMPAFYLWBHZBX-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(OCC)c1 ZINC001158534313 1087900139 /nfs/dbraw/zinc/90/01/39/1087900139.db2.gz UMVFDLBBRSYGGM-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152454309 1087980020 /nfs/dbraw/zinc/98/00/20/1087980020.db2.gz AMILDCSTUNARCM-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCNCc1cccc(Cl)n1 ZINC001158746585 1088004746 /nfs/dbraw/zinc/00/47/46/1088004746.db2.gz AZHKAIXWUKQZKY-UHFFFAOYSA-N 0 3 321.852 3.099 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cc(C)ccc1F ZINC001158768564 1088019077 /nfs/dbraw/zinc/01/90/77/1088019077.db2.gz XOVYPUSXCOUJBW-QGZVFWFLSA-N 0 3 318.436 3.176 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001158794478 1088033512 /nfs/dbraw/zinc/03/35/12/1088033512.db2.gz PUTKNERGIQFEOP-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C2CC2)cn1 ZINC001158806323 1088037280 /nfs/dbraw/zinc/03/72/80/1088037280.db2.gz FYXHXOMLJVYIMC-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 ZINC001158841156 1088063262 /nfs/dbraw/zinc/06/32/62/1088063262.db2.gz BKAMAHJUPHATFL-LJQANCHMSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CC[C@@H](Nc1ccc([C@H]2CCCCN2CC)cn1)C(=O)OC ZINC001158863073 1088075155 /nfs/dbraw/zinc/07/51/55/1088075155.db2.gz XPIJOFOLXUBISO-HZPDHXFCSA-N 0 3 317.433 3.158 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCNCc1cc(F)ccc1F ZINC001158887227 1088083561 /nfs/dbraw/zinc/08/35/61/1088083561.db2.gz SDYCSJUOSWKHIH-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1ccn(C(CC)CC)n1 ZINC001159021605 1088146037 /nfs/dbraw/zinc/14/60/37/1088146037.db2.gz VBGJSBPIFSGAJB-UHFFFAOYSA-N 0 3 320.481 3.196 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(C)nc2C)CCCC1 ZINC001153818137 1088370819 /nfs/dbraw/zinc/37/08/19/1088370819.db2.gz YAYDZGBLDPHLFY-UHFFFAOYSA-N 0 3 315.461 3.041 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001099264086 1088377107 /nfs/dbraw/zinc/37/71/07/1088377107.db2.gz MZWVEHREWXJHSM-HOTGVXAUSA-N 0 3 318.461 3.484 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C/c1ccccc1F ZINC001153994874 1088432642 /nfs/dbraw/zinc/43/26/42/1088432642.db2.gz RDKNZRCZBPUQDF-PXUDHTSWSA-N 0 3 316.420 3.079 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(C(C)C)c1 ZINC001154167555 1088497500 /nfs/dbraw/zinc/49/75/00/1088497500.db2.gz KQINDQQHCSFFFB-QGZVFWFLSA-N 0 3 314.473 3.202 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1ccccc1F ZINC001168512364 1088516609 /nfs/dbraw/zinc/51/66/09/1088516609.db2.gz ICTNOXXOCKBTGX-GFCCVEGCSA-N 0 3 312.816 3.168 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC(C)(C)C1 ZINC001089390023 1088562254 /nfs/dbraw/zinc/56/22/54/1088562254.db2.gz YGMGUVNUDJFXIW-GVDBMIGSSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2sc(C)cc2C)CC(C)(C)C1 ZINC001089399001 1088567173 /nfs/dbraw/zinc/56/71/73/1088567173.db2.gz ROGOZMQRSJGHQK-HNNXBMFYSA-N 0 3 318.486 3.219 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1csc2ccccc12 ZINC001154515867 1088636005 /nfs/dbraw/zinc/63/60/05/1088636005.db2.gz HUJXOPGEXDDDJV-CQSZACIVSA-N 0 3 314.454 3.365 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)CC(C)(C)C1 ZINC001089480227 1088670502 /nfs/dbraw/zinc/67/05/02/1088670502.db2.gz PJJLLBKGQKJXAH-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089483082 1088680836 /nfs/dbraw/zinc/68/08/36/1088680836.db2.gz FYMDYMBECKINFA-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C=C)cc2)CC(C)(C)C1 ZINC001089494569 1088690892 /nfs/dbraw/zinc/69/08/92/1088690892.db2.gz OBPDXSQJFMXHMT-GOSISDBHSA-N 0 3 310.441 3.183 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089511764 1088704103 /nfs/dbraw/zinc/70/41/03/1088704103.db2.gz VPFMCUBUAXULOS-OTWHNJEPSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)CC(C)(C)C1 ZINC001089549017 1088734251 /nfs/dbraw/zinc/73/42/51/1088734251.db2.gz SKBJLKDSWQPLRD-LBPRGKRZSA-N 0 3 324.371 3.071 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)CC(C)(C)C1 ZINC001089554787 1088737661 /nfs/dbraw/zinc/73/76/61/1088737661.db2.gz ZVQWEUNEKABXCF-INIZCTEOSA-N 0 3 323.440 3.022 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001154756743 1088745219 /nfs/dbraw/zinc/74/52/19/1088745219.db2.gz DPZAHLHGLNGUKL-HUUCEWRRSA-N 0 3 323.506 3.115 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001089596320 1088791801 /nfs/dbraw/zinc/79/18/01/1088791801.db2.gz XXDFNBUEWVBLBM-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cscc2Cl)CC1 ZINC001160422692 1088797426 /nfs/dbraw/zinc/79/74/26/1088797426.db2.gz BWULXNUVTVSXAP-UHFFFAOYSA-N 0 3 322.861 3.177 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C(C)(C)C(F)F ZINC001272674966 1088806683 /nfs/dbraw/zinc/80/66/83/1088806683.db2.gz BYWHPHVTHAKIJG-UHFFFAOYSA-N 0 3 310.388 3.212 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001160467873 1088823018 /nfs/dbraw/zinc/82/30/18/1088823018.db2.gz YDZVVKDNKSKHDK-LJQANCHMSA-N 0 3 314.473 3.285 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001089624528 1088840915 /nfs/dbraw/zinc/84/09/15/1088840915.db2.gz FQXYGTHKCDJWQX-NCOADZHNSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001089648327 1088886903 /nfs/dbraw/zinc/88/69/03/1088886903.db2.gz JJEXYNILBNGDLX-KRWDZBQOSA-N 0 3 315.461 3.105 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1C(C)(C)C ZINC001160606242 1088889122 /nfs/dbraw/zinc/88/91/22/1088889122.db2.gz JEEFYJGLMLFGFI-UHFFFAOYSA-N 0 3 308.853 3.446 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N(C)CCc1ccccc1OC ZINC001160597349 1088889776 /nfs/dbraw/zinc/88/97/76/1088889776.db2.gz RYOCFPHGGXMWFU-KRWDZBQOSA-N 0 3 318.461 3.160 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccnc3ccccc32)CC1 ZINC001160617217 1088894927 /nfs/dbraw/zinc/89/49/27/1088894927.db2.gz HRWHLTNOYOFIKO-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc2ccc(C)nc21 ZINC001160662347 1088909268 /nfs/dbraw/zinc/90/92/68/1088909268.db2.gz 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CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001155602150 1089181313 /nfs/dbraw/zinc/18/13/13/1089181313.db2.gz TYWZVAGLCBTEDR-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC001161328103 1089197828 /nfs/dbraw/zinc/19/78/28/1089197828.db2.gz IZFFETCQDNQALP-UHFFFAOYSA-N 0 3 322.811 3.417 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)cc2C)C1 ZINC001484173516 1089256519 /nfs/dbraw/zinc/25/65/19/1089256519.db2.gz DCSRDTJXBZUMPB-LJQANCHMSA-N 0 3 300.446 3.321 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001484175639 1089270208 /nfs/dbraw/zinc/27/02/08/1089270208.db2.gz RUDWWKIUMFPYPC-PMACEKPBSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1F ZINC001089715401 1089289973 /nfs/dbraw/zinc/28/99/73/1089289973.db2.gz WHCXDAXJLLBAOS-CQSZACIVSA-N 0 3 319.424 3.017 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001089718321 1089291404 /nfs/dbraw/zinc/29/14/04/1089291404.db2.gz 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1089404465 /nfs/dbraw/zinc/40/44/65/1089404465.db2.gz UPIQFDITTCCVBJ-UHFFFAOYSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(F)cc2Cl)CC1 ZINC001161809127 1089414271 /nfs/dbraw/zinc/41/42/71/1089414271.db2.gz STAYHLNKZNRRBY-UHFFFAOYSA-N 0 3 322.811 3.417 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C23CCC(CC2)CC3)CC1 ZINC001161919403 1089471802 /nfs/dbraw/zinc/47/18/02/1089471802.db2.gz QJFXIEGWADJFOP-UHFFFAOYSA-N 0 3 314.473 3.119 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cccc(F)c1 ZINC001484552575 1089486039 /nfs/dbraw/zinc/48/60/39/1089486039.db2.gz FJUGCHZXWRRNAO-UHFFFAOYSA-N 0 3 324.399 3.211 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001484554536 1089488889 /nfs/dbraw/zinc/48/88/89/1089488889.db2.gz YREMGZRJQNZTKH-CRAIPNDOSA-N 0 3 318.436 3.449 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001156374966 1089495955 /nfs/dbraw/zinc/49/59/55/1089495955.db2.gz ZJZGZWJZWVJHSZ-CQSZACIVSA-N 0 3 320.864 3.420 20 30 DGEDHN CCC(=CC(=O)NCCCNCc1cc(C#N)ccc1F)CC ZINC001156477044 1089540530 /nfs/dbraw/zinc/54/05/30/1089540530.db2.gz AMMHVHARQUYVJY-UHFFFAOYSA-N 0 3 317.408 3.040 20 30 DGEDHN N#Cc1cc(Cl)cnc1-n1cncc1CNCc1ccccc1 ZINC001156496099 1089549534 /nfs/dbraw/zinc/54/95/34/1089549534.db2.gz FJCVVKFCCJVRMQ-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001484649119 1089566549 /nfs/dbraw/zinc/56/65/49/1089566549.db2.gz DLKLERRQXXNMCD-INIZCTEOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@@H](C(=O)NCC1(NC[C@@H](F)CC)CCC1)c1ccccc1 ZINC001484662905 1089582549 /nfs/dbraw/zinc/58/25/49/1089582549.db2.gz AEISMVLSCBXHCZ-DLBZAZTESA-N 0 3 318.436 3.333 20 30 DGEDHN C=C[C@H](C(=O)NCC1(NC[C@H](F)CC)CCC1)c1ccccc1 ZINC001484662908 1089583076 /nfs/dbraw/zinc/58/30/76/1089583076.db2.gz AEISMVLSCBXHCZ-SJORKVTESA-N 0 3 318.436 3.333 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1Cl ZINC001156559759 1089584185 /nfs/dbraw/zinc/58/41/85/1089584185.db2.gz GPVOQAUXOMPFRD-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001156595434 1089604810 /nfs/dbraw/zinc/60/48/10/1089604810.db2.gz YNDCOJKRCVQQNF-MRXNPFEDSA-N 0 3 300.446 3.274 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001156672708 1089636345 /nfs/dbraw/zinc/63/63/45/1089636345.db2.gz WATFOWOPSPBGSH-KRWDZBQOSA-N 0 3 306.425 3.286 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1 ZINC001156758165 1089681409 /nfs/dbraw/zinc/68/14/09/1089681409.db2.gz WAENKEFPVXGCKS-IAGOWNOFSA-N 0 3 300.446 3.030 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCCC23CC3)cc1 ZINC001272691532 1089712640 /nfs/dbraw/zinc/71/26/40/1089712640.db2.gz MFYUBPHQPGJCHP-CRAIPNDOSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2ccc(C)cc2)cc1 ZINC001272691709 1089721328 /nfs/dbraw/zinc/72/13/28/1089721328.db2.gz MYSBHOPERULZCT-KRWDZBQOSA-N 0 3 320.436 3.138 20 30 DGEDHN C[C@@H]1CN(C(=O)CCCC2CC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001484896021 1089732991 /nfs/dbraw/zinc/73/29/91/1089732991.db2.gz WOQSKOHVRGTXCQ-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)cs2)cc1 ZINC001272692474 1089758260 /nfs/dbraw/zinc/75/82/60/1089758260.db2.gz VGVAISWDUSZILC-CQSZACIVSA-N 0 3 312.438 3.270 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(F)c2occc21 ZINC001156994431 1089778639 /nfs/dbraw/zinc/77/86/39/1089778639.db2.gz RXUULVWXYMIOBR-CYBMUJFWSA-N 0 3 316.376 3.035 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001157047204 1089799581 /nfs/dbraw/zinc/79/95/81/1089799581.db2.gz NZDRDQHMHHAVAN-CYBMUJFWSA-N 0 3 306.475 3.119 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCC2CCCC2)C[C@@H]1C ZINC001484988452 1089806751 /nfs/dbraw/zinc/80/67/51/1089806751.db2.gz XDGWGBNLMHHGQO-FUHWJXTLSA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001157069398 1089812464 /nfs/dbraw/zinc/81/24/64/1089812464.db2.gz VOJXROQCUPLSQI-JKSUJKDBSA-N 0 3 318.436 3.169 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2nc(C)cs2)CCC1 ZINC001484998240 1089820401 /nfs/dbraw/zinc/82/04/01/1089820401.db2.gz DSQGKFVHTHOILA-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2c(c1)CCCC2 ZINC001485002420 1089832205 /nfs/dbraw/zinc/83/22/05/1089832205.db2.gz RSUKCMWYKNNFEB-AWEZNQCLSA-N 0 3 320.864 3.416 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001485004383 1089841888 /nfs/dbraw/zinc/84/18/88/1089841888.db2.gz MQRRSAXOIGFHCX-LJQANCHMSA-N 0 3 312.457 3.304 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001157172261 1089854265 /nfs/dbraw/zinc/85/42/65/1089854265.db2.gz MPGMJCZBEZVMSE-QZTJIDSGSA-N 0 3 314.473 3.024 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CCCC#CC)CC1 ZINC001485032018 1089858986 /nfs/dbraw/zinc/85/89/86/1089858986.db2.gz KQAJXOFSXSFNKN-UHFFFAOYSA-N 0 3 324.896 3.493 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001485044272 1089861248 /nfs/dbraw/zinc/86/12/48/1089861248.db2.gz WJWBWLIGNQNWSQ-SFHLNBCPSA-N 0 3 322.452 3.128 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001157184374 1089862417 /nfs/dbraw/zinc/86/24/17/1089862417.db2.gz SKNFGWZXCBAOLN-CRAIPNDOSA-N 0 3 318.436 3.169 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@H]1CC=CCC1 ZINC001162696506 1089889282 /nfs/dbraw/zinc/88/92/82/1089889282.db2.gz OBGRSVAIDKLZEY-FQEVSTJZSA-N 0 3 324.468 3.027 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1CC(c2ccccc2)C1 ZINC001157248334 1089890351 /nfs/dbraw/zinc/89/03/51/1089890351.db2.gz LQNKEGBXTGFDHA-IPJUCJBFSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)C/C=C/c1ccccc1 ZINC001485053663 1089895949 /nfs/dbraw/zinc/89/59/49/1089895949.db2.gz AQTXIBOMFYQRBR-CWUFLNSKSA-N 0 3 324.468 3.426 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1scc(C)c1Cl ZINC001485059015 1089908851 /nfs/dbraw/zinc/90/88/51/1089908851.db2.gz YPNKSTCSCPITAV-GFCCVEGCSA-N 0 3 312.866 3.432 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCCCC1(C)C ZINC001157347301 1089918286 /nfs/dbraw/zinc/91/82/86/1089918286.db2.gz LTWAITRUMXYULW-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN CCCC[C@@H](C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001157378101 1089932752 /nfs/dbraw/zinc/93/27/52/1089932752.db2.gz CUYRLVXDYUWYLR-CQSZACIVSA-N 0 3 319.424 3.120 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C[C@@H](C)CC ZINC001162790986 1089957495 /nfs/dbraw/zinc/95/74/95/1089957495.db2.gz UQJOQPNCAKGECZ-SFHVURJKSA-N 0 3 314.473 3.107 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001157440849 1089968871 /nfs/dbraw/zinc/96/88/71/1089968871.db2.gz BGAORHPHBQFGME-GFOMBABLSA-N 0 3 312.457 3.248 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1c(C)cccc1Cl ZINC001485142172 1089980547 /nfs/dbraw/zinc/98/05/47/1089980547.db2.gz MQHHDDAKYWZWPH-GJZGRUSLSA-N 0 3 320.864 3.435 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001485180391 1090007597 /nfs/dbraw/zinc/00/75/97/1090007597.db2.gz CQBXJSDUUAJDMM-KBPBESRZSA-N 0 3 319.474 3.349 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2scnc2C)CCC1 ZINC001485191059 1090023237 /nfs/dbraw/zinc/02/32/37/1090023237.db2.gz SSJDFQRVCJOCON-OLZOCXBDSA-N 0 3 321.490 3.181 20 30 DGEDHN C[C@@H](NC(=O)C(C)(C)C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001485214815 1090035254 /nfs/dbraw/zinc/03/52/54/1090035254.db2.gz HYEFGOVPMKZISJ-UONOGXRCSA-N 0 3 320.864 3.220 20 30 DGEDHN C=CCCC(=O)N(C)C1CCC(NCc2ncc(C)s2)CC1 ZINC001485238033 1090043756 /nfs/dbraw/zinc/04/37/56/1090043756.db2.gz ZDQRINUWHSEHQF-UHFFFAOYSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001157710974 1090083812 /nfs/dbraw/zinc/08/38/12/1090083812.db2.gz PDCKGKDMJHOEDT-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN N#Cc1ccc2ccnc(N3CCN[C@H](c4ccccc4)C3)c2c1 ZINC001157759662 1090101884 /nfs/dbraw/zinc/10/18/84/1090101884.db2.gz TUOSNWFWNCRGCH-IBGZPJMESA-N 0 3 314.392 3.257 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N1CC(F)(F)C[C@]1(C)CF ZINC001157951882 1090156520 /nfs/dbraw/zinc/15/65/20/1090156520.db2.gz GNJGUNUFYWMWRX-GXTWGEPZSA-N 0 3 306.372 3.046 20 30 DGEDHN C[C@H]1C[C@@H]1C(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001485453951 1090161709 /nfs/dbraw/zinc/16/17/09/1090161709.db2.gz JVJSELXHXCUVBP-HKUYNNGSSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)C[C@H]1CCCCO1 ZINC001158011837 1090171570 /nfs/dbraw/zinc/17/15/70/1090171570.db2.gz RDJZIAZRRVGVKG-QZTJIDSGSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCC1CCOCC1 ZINC001158071738 1090182209 /nfs/dbraw/zinc/18/22/09/1090182209.db2.gz HWMKUQPUPFWKFO-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccncc1 ZINC001158128737 1090188914 /nfs/dbraw/zinc/18/89/14/1090188914.db2.gz IQFARSNMXFPCRT-SJLPKXTDSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001158220666 1090202487 /nfs/dbraw/zinc/20/24/87/1090202487.db2.gz FNGLUNJVRGDSAT-HOTGVXAUSA-N 0 3 306.837 3.029 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C(F)F)ccc1F ZINC001158211927 1090202628 /nfs/dbraw/zinc/20/26/28/1090202628.db2.gz YZNGXOGMXXDKCP-UHFFFAOYSA-N 0 3 320.742 3.225 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/Cc2ccccc2)C(C)(C)C1 ZINC001485570458 1090211149 /nfs/dbraw/zinc/21/11/49/1090211149.db2.gz DYJYXWKCMOBSCB-BLGFXRMMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001485582890 1090217622 /nfs/dbraw/zinc/21/76/22/1090217622.db2.gz VSZZZMUDLQHPDU-MRXNPFEDSA-N 0 3 324.509 3.088 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485582357 1090217850 /nfs/dbraw/zinc/21/78/50/1090217850.db2.gz ORXJGRUVEZSSSS-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC001485580647 1090218147 /nfs/dbraw/zinc/21/81/47/1090218147.db2.gz MZFGRKNUPFQVIV-SJLPKXTDSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(CCOCC(C)C)CC1(C)C ZINC001485575629 1090220462 /nfs/dbraw/zinc/22/04/62/1090220462.db2.gz PRVLBTRHCJLINK-QFBILLFUSA-N 0 3 324.509 3.088 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](C)CCCC)C[C@]2(C)C1 ZINC001485667341 1090235007 /nfs/dbraw/zinc/23/50/07/1090235007.db2.gz FRNZQVVSLPPBLU-QRQLOZEOSA-N 0 3 304.478 3.006 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC001163712411 1090240350 /nfs/dbraw/zinc/24/03/50/1090240350.db2.gz YICXOFBWVBWQBJ-LBPRGKRZSA-N 0 3 300.431 3.453 20 30 DGEDHN CC(C)C(=O)N[C@H](C)CCCNCC#Cc1ccccc1Cl ZINC001485709015 1090243239 /nfs/dbraw/zinc/24/32/39/1090243239.db2.gz CBWWNXPSUAOUJE-OAHLLOKOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c[nH]c2ccccc21 ZINC001485729053 1090257426 /nfs/dbraw/zinc/25/74/26/1090257426.db2.gz GKWRGIIPQJEHCB-CYBMUJFWSA-N 0 3 319.836 3.409 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNCc1ccns1 ZINC001485732144 1090259918 /nfs/dbraw/zinc/25/99/18/1090259918.db2.gz DIQJYEKTWKRLKQ-CYBMUJFWSA-N 0 3 309.479 3.120 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001163855605 1090274687 /nfs/dbraw/zinc/27/46/87/1090274687.db2.gz KIQKFXXGCYYHAX-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1nsc2ccc(C)cc21 ZINC001163890846 1090282109 /nfs/dbraw/zinc/28/21/09/1090282109.db2.gz ASXWSLBRBMPVLK-UHFFFAOYSA-N 0 3 323.849 3.067 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1=O ZINC001272733822 1090336750 /nfs/dbraw/zinc/33/67/50/1090336750.db2.gz PARHKVYOCYBCBM-UHFFFAOYSA-N 0 3 323.440 3.168 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001164391288 1090419819 /nfs/dbraw/zinc/41/98/19/1090419819.db2.gz BMJOMFWKSXEZFL-IBGZPJMESA-N 0 3 300.446 3.370 20 30 DGEDHN CN(C)C1(C)CN(c2nc3cc(F)ccc3c(Cl)c2C#N)C1 ZINC001165122100 1090466961 /nfs/dbraw/zinc/46/69/61/1090466961.db2.gz PCIDLQQGSFNXLK-UHFFFAOYSA-N 0 3 318.783 3.039 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706515 1090489088 /nfs/dbraw/zinc/48/90/88/1090489088.db2.gz RNECOGAGWTYJLU-APWZRJJASA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107742024 1090495778 /nfs/dbraw/zinc/49/57/78/1090495778.db2.gz WPFYKAZODZXMII-WMZOPIPTSA-N 0 3 310.482 3.129 20 30 DGEDHN N#CCc1cccc(NCC2CN(Cc3ccccc3)C2)c1F ZINC001165455511 1090522821 /nfs/dbraw/zinc/52/28/21/1090522821.db2.gz ZKKZGWZKEMOQOZ-UHFFFAOYSA-N 0 3 309.388 3.436 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1nc(C(C)(C)C)cs1 ZINC001165530314 1090528399 /nfs/dbraw/zinc/52/83/99/1090528399.db2.gz FSLFTZRAYUCZOD-UHFFFAOYSA-N 0 3 323.506 3.393 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001272765139 1090560855 /nfs/dbraw/zinc/56/08/55/1090560855.db2.gz OMWNXUXODSNOTO-XXYUJHKVSA-N 0 3 317.408 3.038 20 30 DGEDHN C=CCCC1(C(=O)NCCCNCc2nc(C)c(C)s2)CC1 ZINC001165913932 1090561134 /nfs/dbraw/zinc/56/11/34/1090561134.db2.gz PARRLGCJNJKWTO-UHFFFAOYSA-N 0 3 321.490 3.102 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1C1(C)CC1 ZINC001166486106 1090610511 /nfs/dbraw/zinc/61/05/11/1090610511.db2.gz UWOGMFIJWGBTFY-UHFFFAOYSA-N 0 3 306.837 3.200 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3occc3c1)CC2 ZINC001272880927 1090665886 /nfs/dbraw/zinc/66/58/86/1090665886.db2.gz SPWLRWKBAOWOHT-KRWDZBQOSA-N 0 3 324.424 3.337 20 30 DGEDHN CCC[C@H](C)CCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001128151741 1090694577 /nfs/dbraw/zinc/69/45/77/1090694577.db2.gz BAYVOCDJYBVPML-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccccc1F)C2 ZINC001203347284 1090723123 /nfs/dbraw/zinc/72/31/23/1090723123.db2.gz BXUNLEOFDOYYOQ-OALUTQOASA-N 0 3 319.420 3.399 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccc(Cl)s2)C[C@H]1C ZINC001486104342 1090750743 /nfs/dbraw/zinc/75/07/43/1090750743.db2.gz CYIJBGNHWOUJRV-NEPJUHHUSA-N 0 3 312.866 3.447 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3c2CCCCC3)C1 ZINC001486115913 1090753384 /nfs/dbraw/zinc/75/33/84/1090753384.db2.gz ULZCWQZQKKYQKZ-WMZOPIPTSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001276413840 1090764125 /nfs/dbraw/zinc/76/41/25/1090764125.db2.gz ITBDCRFRXSCNFO-LSDHHAIUSA-N 0 3 300.446 3.396 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)OC3CCCC3)CCC[C@@H]12 ZINC001486147840 1090765023 /nfs/dbraw/zinc/76/50/23/1090765023.db2.gz QTFYZXPURYUYNV-ZHALLVOQSA-N 0 3 320.477 3.023 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001203631146 1090769146 /nfs/dbraw/zinc/76/91/46/1090769146.db2.gz KVTGESFGKSFYLY-QZTJIDSGSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H]1C ZINC001486185155 1090781545 /nfs/dbraw/zinc/78/15/45/1090781545.db2.gz FCJTUIKEJTWQGK-HOTGVXAUSA-N 0 3 306.494 3.441 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001203902519 1090834344 /nfs/dbraw/zinc/83/43/44/1090834344.db2.gz HYXUWDCMJCCSDW-MOPGFXCFSA-N 0 3 320.392 3.294 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001486473614 1090848887 /nfs/dbraw/zinc/84/88/87/1090848887.db2.gz XYOXRKDRTRWKJA-UHFFFAOYSA-N 0 3 304.409 3.117 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2ccc3ccccc3c2)CC1 ZINC001486520401 1090866030 /nfs/dbraw/zinc/86/60/30/1090866030.db2.gz NTXRXIMSNGMOIH-UHFFFAOYSA-N 0 3 320.436 3.317 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccc(C#N)c(F)c3)cc2)CC1 ZINC001204062217 1090887433 /nfs/dbraw/zinc/88/74/33/1090887433.db2.gz KZADQCLRHAXKSU-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001276439380 1090894963 /nfs/dbraw/zinc/89/49/63/1090894963.db2.gz CEBPIACQHDMKIB-CVEARBPZSA-N 0 3 300.446 3.111 20 30 DGEDHN C=CCOc1ccc(CN2CCC(C)(C(=O)OCC)CC2)cc1 ZINC001204300497 1090943266 /nfs/dbraw/zinc/94/32/66/1090943266.db2.gz SNSBDBGOSNNYHO-UHFFFAOYSA-N 0 3 317.429 3.417 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)OCC)[C@H]2C)cc1 ZINC001204303666 1090944978 /nfs/dbraw/zinc/94/49/78/1090944978.db2.gz PHPFWQURBMZWFK-QAPCUYQASA-N 0 3 317.429 3.415 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001276467623 1090977864 /nfs/dbraw/zinc/97/78/64/1090977864.db2.gz BVQGLBUAKWBTKI-YLJYHZDGSA-N 0 3 324.468 3.196 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3cc(C#N)ccc3F)c2)CC1 ZINC001204564564 1090999560 /nfs/dbraw/zinc/99/95/60/1090999560.db2.gz LOAGBTFHWQAJAP-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN CC[C@@H](C)[C@H](CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC001204750113 1091029336 /nfs/dbraw/zinc/02/93/36/1091029336.db2.gz WAUBDZSHZXJQIR-QAPCUYQASA-N 0 3 304.434 3.068 20 30 DGEDHN Cc1cc(C#N)cc(Nc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC001204765226 1091032950 /nfs/dbraw/zinc/03/29/50/1091032950.db2.gz BVRUHTIDRWAURM-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2c(C)cccn2c1 ZINC001273111766 1091045028 /nfs/dbraw/zinc/04/50/28/1091045028.db2.gz DWABUPSNRVWGIB-AWEZNQCLSA-N 0 3 319.836 3.098 20 30 DGEDHN C(#Cc1ccc(CN2C[C@@H]3CCO[C@@H]3C2)cc1)c1ccccc1 ZINC001138336838 1091145105 /nfs/dbraw/zinc/14/51/05/1091145105.db2.gz ZYBCPOQHZCVOJC-LEWJYISDSA-N 0 3 303.405 3.307 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138390038 1091164070 /nfs/dbraw/zinc/16/40/70/1091164070.db2.gz NEDRLPJZRDKMGK-INIZCTEOSA-N 0 3 300.446 3.387 20 30 DGEDHN N#Cc1ccc(N2CCN(Cc3cccc4[nH]ccc43)CC2)cc1 ZINC001205289759 1091167354 /nfs/dbraw/zinc/16/73/54/1091167354.db2.gz JPLOAVXTBHIIGU-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cccs1 ZINC001098855793 1091225023 /nfs/dbraw/zinc/22/50/23/1091225023.db2.gz RHOBNAPHCVKFAN-HNNXBMFYSA-N 0 3 320.502 3.474 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001205467618 1091229954 /nfs/dbraw/zinc/22/99/54/1091229954.db2.gz VKYZMVDPDOQADV-UHFFFAOYSA-N 0 3 324.403 3.140 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@H](C(=O)OCC)C2)c1[O-] ZINC001138629684 1091263912 /nfs/dbraw/zinc/26/39/12/1091263912.db2.gz FNCRJLCBZRXRCC-KRWDZBQOSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@H](C(=O)OCC)C2)c1[O-] ZINC001138629684 1091263914 /nfs/dbraw/zinc/26/39/14/1091263914.db2.gz FNCRJLCBZRXRCC-KRWDZBQOSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](C(=O)OCCCC)C2)c1[O-] ZINC001138631479 1091264739 /nfs/dbraw/zinc/26/47/39/1091264739.db2.gz UCWFRSZFAFOXIM-KRWDZBQOSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](C(=O)OCCCC)C2)c1[O-] ZINC001138631479 1091264748 /nfs/dbraw/zinc/26/47/48/1091264748.db2.gz UCWFRSZFAFOXIM-KRWDZBQOSA-N 0 3 317.429 3.286 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCN2CCCC[C@H]2C1 ZINC001138664104 1091279867 /nfs/dbraw/zinc/27/98/67/1091279867.db2.gz ITWLPRDAKJFOOR-SFHVURJKSA-N 0 3 300.446 3.312 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@H](C)C[C@H](C(=O)OC)C1 ZINC001138664978 1091280587 /nfs/dbraw/zinc/28/05/87/1091280587.db2.gz CXDISOUREKZFFL-WBVHZDCISA-N 0 3 317.429 3.273 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001138665182 1091282037 /nfs/dbraw/zinc/28/20/37/1091282037.db2.gz HUICNLXHDIBMQG-WBVHZDCISA-N 0 3 317.429 3.415 20 30 DGEDHN C#CCN(Cc1ccc(OCCO)cc1)[C@@H]1CCc2ccccc21 ZINC001138797856 1091334974 /nfs/dbraw/zinc/33/49/74/1091334974.db2.gz IFVBHYOXWFCPRH-OAQYLSRUSA-N 0 3 321.420 3.180 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3cc(F)cc(Cl)c3)C2)C1=O ZINC001273176859 1091335340 /nfs/dbraw/zinc/33/53/40/1091335340.db2.gz BQPNILIGXCHROF-KRWDZBQOSA-N 0 3 322.811 3.090 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001276396927 1091428607 /nfs/dbraw/zinc/42/86/07/1091428607.db2.gz JXSKEMDYEHAFPS-MRXNPFEDSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(CNCc2nccs2)CC1 ZINC001205988664 1091438067 /nfs/dbraw/zinc/43/80/67/1091438067.db2.gz JMEIOKPYJJXGDW-CQSZACIVSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCN(Cc1cc(C(=O)OC)n(C)c1)Cc1ccccc1 ZINC001139373001 1091538227 /nfs/dbraw/zinc/53/82/27/1091538227.db2.gz UPGSOWWIPLQOKB-UHFFFAOYSA-N 0 3 312.413 3.390 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCc4ccccc43)[C@@H]2C1 ZINC001084730032 1091550323 /nfs/dbraw/zinc/55/03/23/1091550323.db2.gz GUXGJDWXFABWJU-QWFCFKBJSA-N 0 3 324.468 3.215 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(CC)c(CC)o3)[C@@H]2C1 ZINC001084777969 1091561090 /nfs/dbraw/zinc/56/10/90/1091561090.db2.gz ZDOHHYRQGXAQNM-HZPDHXFCSA-N 0 3 316.445 3.127 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139528001 1091586247 /nfs/dbraw/zinc/58/62/47/1091586247.db2.gz WFFSYMNHVXUVKJ-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139526770 1091586358 /nfs/dbraw/zinc/58/63/58/1091586358.db2.gz GSHJAAIDKICLPR-GOSISDBHSA-N 0 3 318.392 3.253 20 30 DGEDHN C=C[C@H](C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21)c1ccccc1 ZINC001084847511 1091590091 /nfs/dbraw/zinc/59/00/91/1091590091.db2.gz YFYZAFFFJPJVAJ-HSALFYBXSA-N 0 3 324.468 3.455 20 30 DGEDHN N#Cc1cccc2c(CN3CC[C@H](Oc4cccnc4)C3)c[nH]c21 ZINC001139702955 1091647068 /nfs/dbraw/zinc/64/70/68/1091647068.db2.gz DPIKMZMTFILIEA-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN Cc1ccc(CN2CCC(O)(Cc3ccccc3)CC2)cc1C#N ZINC001139721836 1091653205 /nfs/dbraw/zinc/65/32/05/1091653205.db2.gz BDULREMBAIPQHZ-UHFFFAOYSA-N 0 3 320.436 3.436 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001206545253 1091664269 /nfs/dbraw/zinc/66/42/69/1091664269.db2.gz SMYOWAHTJVXOOU-XWIAVFTESA-N 0 3 316.420 3.216 20 30 DGEDHN C=CCn1cc(CN2CCC(n3cnc4ccccc43)CC2)cn1 ZINC001139774559 1091669374 /nfs/dbraw/zinc/66/93/74/1091669374.db2.gz MBAZRTBYPBJJCJ-UHFFFAOYSA-N 0 3 321.428 3.256 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)C[C@@H]21 ZINC001085103210 1091669920 /nfs/dbraw/zinc/66/99/20/1091669920.db2.gz CLDYBWUNDUMBFG-IKGGRYGDSA-N 0 3 304.478 3.312 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCC(C)CC3)C[C@@H]21 ZINC001085103974 1091671236 /nfs/dbraw/zinc/67/12/36/1091671236.db2.gz XYTQCFMKOVXJBK-NNVNDSJASA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1sccc1C ZINC001085116792 1091679066 /nfs/dbraw/zinc/67/90/66/1091679066.db2.gz FPBDKZVZLNSUOD-CHWSQXEVSA-N 0 3 312.866 3.440 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001139869997 1091696190 /nfs/dbraw/zinc/69/61/90/1091696190.db2.gz VXUBOMINQPWACZ-ZWKOTPCHSA-N 0 3 300.446 3.065 20 30 DGEDHN CN(CCN(C)Cc1cc(F)cc(C#N)c1)Cc1ccccc1 ZINC001139878828 1091700866 /nfs/dbraw/zinc/70/08/66/1091700866.db2.gz YBLFEMPCOVOTAA-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN CN(Cc1c[nH]c2ncnc(Cl)c12)Cc1cccc(C#N)c1 ZINC001139939696 1091719764 /nfs/dbraw/zinc/71/97/64/1091719764.db2.gz GMAWMNMXMJWARC-UHFFFAOYSA-N 0 3 311.776 3.067 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)cc(C)n1 ZINC001085253480 1091725214 /nfs/dbraw/zinc/72/52/14/1091725214.db2.gz QRPXATICOBVTMR-HUUCEWRRSA-N 0 3 321.852 3.082 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2cc(C)ccc2[nH]1 ZINC001273326329 1091767277 /nfs/dbraw/zinc/76/72/77/1091767277.db2.gz BJTWPKLYVTUEFF-RTBURBONSA-N 0 3 323.440 3.228 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c(F)c1 ZINC001140141649 1091782986 /nfs/dbraw/zinc/78/29/86/1091782986.db2.gz ZVJJLZFMQBZJHN-ROUUACIJSA-N 0 3 319.399 3.096 20 30 DGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C#CC(C)(C)C ZINC001296779491 1091794295 /nfs/dbraw/zinc/79/42/95/1091794295.db2.gz SHYZMCWOVAGQOL-SFHVURJKSA-N 0 3 314.473 3.309 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001206947287 1091803786 /nfs/dbraw/zinc/80/37/86/1091803786.db2.gz NKMZRUJKEVILMT-OXQOHEQNSA-N 0 3 324.468 3.160 20 30 DGEDHN CCCC(=O)N1CCC[C@H](NCC#Cc2ccccc2Cl)C1 ZINC001207055787 1091831823 /nfs/dbraw/zinc/83/18/23/1091831823.db2.gz NZVFJJPIXKNVMX-INIZCTEOSA-N 0 3 318.848 3.072 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nc(C(C)C)oc1C ZINC001085594788 1091846185 /nfs/dbraw/zinc/84/61/85/1091846185.db2.gz PNCRGFLOPNPLPP-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001207138215 1091859140 /nfs/dbraw/zinc/85/91/40/1091859140.db2.gz DNDXAIAVQHDKIX-CZUORRHYSA-N 0 3 320.864 3.402 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001207158583 1091868114 /nfs/dbraw/zinc/86/81/14/1091868114.db2.gz UAMBYAQALONTNV-IAGOWNOFSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001297380338 1091872958 /nfs/dbraw/zinc/87/29/58/1091872958.db2.gz WJORDLWVFOKGPP-UHFFFAOYSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN(CCN1CCC[C@H](CF)C1)C(=O)OC(C)(C)C ZINC001207206179 1091887322 /nfs/dbraw/zinc/88/73/22/1091887322.db2.gz QQPDWEQOSKHDQK-CQSZACIVSA-N 0 3 300.418 3.091 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001085672975 1091879201 /nfs/dbraw/zinc/87/92/01/1091879201.db2.gz MJTQWXMKKSCCFN-IEBWSBKVSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnc2ccccc21 ZINC001085707533 1091887774 /nfs/dbraw/zinc/88/77/74/1091887774.db2.gz MAVVJZAPFZHWAU-MRXNPFEDSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2ccccc2c1C ZINC001085730252 1091903926 /nfs/dbraw/zinc/90/39/26/1091903926.db2.gz SSYGDONXPTWQEA-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN COc1ccc(C[C@@H]2CCCN(Cc3ccc(C#N)nc3)C2)cc1 ZINC001140546189 1091904660 /nfs/dbraw/zinc/90/46/60/1091904660.db2.gz XRWJKGBBNVBDPU-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001085753927 1091912281 /nfs/dbraw/zinc/91/22/81/1091912281.db2.gz UUSTXDAGXSNXSX-OAHLLOKOSA-N 0 3 315.392 3.029 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CN1CCC[C@@H](CC#N)C1 ZINC001207315461 1091921566 /nfs/dbraw/zinc/92/15/66/1091921566.db2.gz QYBRPEXEYKXURU-HOTGVXAUSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001085779850 1091929242 /nfs/dbraw/zinc/92/92/42/1091929242.db2.gz DXVXUZLDYBXCDA-INIZCTEOSA-N 0 3 303.450 3.100 20 30 DGEDHN N#Cc1ccc(Cl)c(CN2CC[C@@H](N3CCCC3)[C@@H](F)C2)c1 ZINC001140603299 1091929262 /nfs/dbraw/zinc/92/92/62/1091929262.db2.gz IOOWOCTVVJLOIY-DLBZAZTESA-N 0 3 321.827 3.220 20 30 DGEDHN CCCCCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207352546 1091933764 /nfs/dbraw/zinc/93/37/64/1091933764.db2.gz LXONCOPVJKFXMO-AWEZNQCLSA-N 0 3 319.474 3.281 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085792270 1091936332 /nfs/dbraw/zinc/93/63/32/1091936332.db2.gz FOROFGQSZRNJCO-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001085798126 1091939467 /nfs/dbraw/zinc/93/94/67/1091939467.db2.gz JPTSQNXXDCAXGA-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001085838313 1091960848 /nfs/dbraw/zinc/96/08/48/1091960848.db2.gz FXMFITFRQGKUJG-OAHLLOKOSA-N 0 3 310.800 3.202 20 30 DGEDHN O=C1C=C2CN(Cc3cc(F)c(Cl)cc3F)CCC2S1 ZINC001140699791 1091963324 /nfs/dbraw/zinc/96/33/24/1091963324.db2.gz BAHHCXUBOZIQNW-ZDUSSCGKSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCc2ccccc2Cl)C1 ZINC001207425609 1091963262 /nfs/dbraw/zinc/96/32/62/1091963262.db2.gz MOAWEGKGDGVYMO-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001085839201 1091973906 /nfs/dbraw/zinc/97/39/06/1091973906.db2.gz DLJHPQNLMSPWLE-WNRNVDISSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)C=CCC2 ZINC001085871221 1091990999 /nfs/dbraw/zinc/99/09/99/1091990999.db2.gz OYASBGHWWLEQAE-LJQANCHMSA-N 0 3 310.441 3.368 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1OC(C)C ZINC001085937305 1092022788 /nfs/dbraw/zinc/02/27/88/1092022788.db2.gz BHBOFYGIEFDLFJ-MRXNPFEDSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1[nH]cc(C)c1C)C2 ZINC001140860674 1092035401 /nfs/dbraw/zinc/03/54/01/1092035401.db2.gz SIAWMKTUEHAHDA-IBGZPJMESA-N 0 3 315.461 3.165 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001085952221 1092040067 /nfs/dbraw/zinc/04/00/67/1092040067.db2.gz WFINBZXAYHTWEB-DAWZGUTISA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001298203093 1092042529 /nfs/dbraw/zinc/04/25/29/1092042529.db2.gz BYBFPVKOHBGAKT-QGZVFWFLSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001085979474 1092068912 /nfs/dbraw/zinc/06/89/12/1092068912.db2.gz SXKMYEJYSCSWMB-INIZCTEOSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(Cl)cccc1OC ZINC001085985378 1092071954 /nfs/dbraw/zinc/07/19/54/1092071954.db2.gz BDRKFQXHIDPJBB-ZDUSSCGKSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950231 1092077196 /nfs/dbraw/zinc/07/71/96/1092077196.db2.gz WLAZMGSCRIYLAT-MJGOQNOKSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950231 1092077208 /nfs/dbraw/zinc/07/72/08/1092077208.db2.gz WLAZMGSCRIYLAT-MJGOQNOKSA-N 0 3 317.429 3.027 20 30 DGEDHN C#CCN(C)CCCNC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC001298676003 1092087153 /nfs/dbraw/zinc/08/71/53/1092087153.db2.gz BHWAVIOACHZQLR-UHFFFAOYSA-N 0 3 304.478 3.220 20 30 DGEDHN CC(C)N(Cc1sc(N)c(C#N)c1Cl)C1CCOCC1 ZINC001141113793 1092141353 /nfs/dbraw/zinc/14/13/53/1092141353.db2.gz RJFYIMBRWPHGIA-UHFFFAOYSA-N 0 3 313.854 3.245 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccccc2CCC)C1 ZINC001086144387 1092142802 /nfs/dbraw/zinc/14/28/02/1092142802.db2.gz NNWGBJMJQKEWCN-FZNQNYSPSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001086162830 1092147094 /nfs/dbraw/zinc/14/70/94/1092147094.db2.gz IPSXBTQNORBNPH-KLPPZKSPSA-N 0 3 323.849 3.080 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001207935924 1092148014 /nfs/dbraw/zinc/14/80/14/1092148014.db2.gz XUTGCPNUIGXLAJ-MRXNPFEDSA-N 0 3 318.848 3.224 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001207935923 1092148205 /nfs/dbraw/zinc/14/82/05/1092148205.db2.gz XUTGCPNUIGXLAJ-INIZCTEOSA-N 0 3 318.848 3.224 20 30 DGEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)OCCN2C ZINC001141145227 1092150112 /nfs/dbraw/zinc/15/01/12/1092150112.db2.gz SBLZQZRJMIFGHL-UHFFFAOYSA-N 0 3 307.397 3.019 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001086183654 1092154363 /nfs/dbraw/zinc/15/43/63/1092154363.db2.gz MZQPJCNTJLEBKZ-WOVMCDHWSA-N 0 3 320.864 3.490 20 30 DGEDHN CC1(C)CC(C(=O)N2CCC[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001207966580 1092162187 /nfs/dbraw/zinc/16/21/87/1092162187.db2.gz WKMZRAADOYLVDW-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001086251790 1092178868 /nfs/dbraw/zinc/17/88/68/1092178868.db2.gz JQGHHCLTXHSACN-BETUJISGSA-N 0 3 310.825 3.001 20 30 DGEDHN N#Cc1ccc(Oc2ccc(CN3CC(C4COC4)C3)cc2)cc1 ZINC001141289186 1092199116 /nfs/dbraw/zinc/19/91/16/1092199116.db2.gz DMTJXQTZBQDSLU-UHFFFAOYSA-N 0 3 320.392 3.429 20 30 DGEDHN N#Cc1ccc(Oc2ccc(CN3CCC[C@H](O)C3)cc2)cc1 ZINC001141287320 1092199745 /nfs/dbraw/zinc/19/97/45/1092199745.db2.gz BMMVFTQTHTYQGS-KRWDZBQOSA-N 0 3 308.381 3.307 20 30 DGEDHN CN(C)C1(C)CN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295753 1092200509 /nfs/dbraw/zinc/20/05/09/1092200509.db2.gz JQOSHNTWSMBXPP-UHFFFAOYSA-N 0 3 321.424 3.486 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001491832888 1092246337 /nfs/dbraw/zinc/24/63/37/1092246337.db2.gz VPMSIEINXCRGJP-KDUJCLPVSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(F)ccc2CC)C1 ZINC001086417532 1092243065 /nfs/dbraw/zinc/24/30/65/1092243065.db2.gz VQWMCPNGRGGCKR-NNUKFRKNSA-N 0 3 324.827 3.239 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001086423850 1092244300 /nfs/dbraw/zinc/24/43/00/1092244300.db2.gz VZORDJIROWCDIS-KLHDSHLOSA-N 0 3 324.896 3.462 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001491874030 1092268273 /nfs/dbraw/zinc/26/82/73/1092268273.db2.gz LESJLXZGHNMRNG-CABCVRRESA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC001491880646 1092271483 /nfs/dbraw/zinc/27/14/83/1092271483.db2.gz AHGSAJFUSIVENL-HUUCEWRRSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001086487357 1092273174 /nfs/dbraw/zinc/27/31/74/1092273174.db2.gz UIBSMAVAJZCAEO-JOCQHMNTSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001086487639 1092275232 /nfs/dbraw/zinc/27/52/32/1092275232.db2.gz ILODCFDAYKJDMF-KTBIRVAVSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208240803 1092291252 /nfs/dbraw/zinc/29/12/52/1092291252.db2.gz REVWEEXNGKCXCS-GFCCVEGCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001273437202 1092295448 /nfs/dbraw/zinc/29/54/48/1092295448.db2.gz KFGYKJJDYWXDIN-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001086519738 1092313695 /nfs/dbraw/zinc/31/36/95/1092313695.db2.gz QURAVSLPEXJPPI-MIGQKNRLSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001491959269 1092326589 /nfs/dbraw/zinc/32/65/89/1092326589.db2.gz KGQSQIWKVSCCFT-SJORKVTESA-N 0 3 306.494 3.395 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001208396307 1092340599 /nfs/dbraw/zinc/34/05/99/1092340599.db2.gz RQVFDEFKFLVROF-FGTMMUONSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001208575490 1092404037 /nfs/dbraw/zinc/40/40/37/1092404037.db2.gz PLXWAVKOCBUUDE-GPMSIDNRSA-N 0 3 314.473 3.365 20 30 DGEDHN C[C@H]1C[C@@H]1C(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001492165862 1092418760 /nfs/dbraw/zinc/41/87/60/1092418760.db2.gz CINMVHCNWZSAKJ-SXLOBPIMSA-N 0 3 324.468 3.055 20 30 DGEDHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC2SC(=O)C=C2C1 ZINC001142167520 1092426183 /nfs/dbraw/zinc/42/61/83/1092426183.db2.gz FTTCLZFAVNHGQE-OAHLLOKOSA-N 0 3 319.474 3.029 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001208657403 1092443359 /nfs/dbraw/zinc/44/33/59/1092443359.db2.gz GURVLYTVCTVADN-RDTXWAMCSA-N 0 3 304.478 3.215 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001168959159 1092462930 /nfs/dbraw/zinc/46/29/30/1092462930.db2.gz BXBTZIRJZOLODJ-INIZCTEOSA-N 0 3 313.445 3.289 20 30 DGEDHN N#Cc1ccc(CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC001208856722 1092547078 /nfs/dbraw/zinc/54/70/78/1092547078.db2.gz RQIANDHOMAXMPM-UHFFFAOYSA-N 0 3 319.452 3.309 20 30 DGEDHN N#Cc1ccnc(CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC001169187418 1092579680 /nfs/dbraw/zinc/57/96/80/1092579680.db2.gz GXVRXLIQABVEHZ-FQEVSTJZSA-N 0 3 320.440 3.270 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208919906 1092584646 /nfs/dbraw/zinc/58/46/46/1092584646.db2.gz XKJHWWFTUKLITE-GFCCVEGCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCN(CCN1CC[C@H](c2cccc(F)c2)C1)C(=O)OCC ZINC001209021639 1092625913 /nfs/dbraw/zinc/62/59/13/1092625913.db2.gz AXJNJGVRJXBSQS-INIZCTEOSA-N 0 3 320.408 3.260 20 30 DGEDHN C=CCN(CCN(C)CCc1ccc(Cl)cc1)C(=O)OCC ZINC001209023016 1092627669 /nfs/dbraw/zinc/62/76/69/1092627669.db2.gz YEWKAIPPOYBXGY-UHFFFAOYSA-N 0 3 324.852 3.459 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)C(C)(C)C1 ZINC001276609727 1092627777 /nfs/dbraw/zinc/62/77/77/1092627777.db2.gz YBOAOTORTUEVNP-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN N#Cc1ccc2c(c1)CN(CCc1ccc3c(c1)CCO3)CC2 ZINC001209143245 1092671176 /nfs/dbraw/zinc/67/11/76/1092671176.db2.gz PYUFCWBEIBKKSN-UHFFFAOYSA-N 0 3 304.393 3.094 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2cncc(C)c2)C1 ZINC001209146760 1092672462 /nfs/dbraw/zinc/67/24/62/1092672462.db2.gz QJUKJJLHFBTEEF-FUHWJXTLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001209146861 1092672485 /nfs/dbraw/zinc/67/24/85/1092672485.db2.gz RJUCJHJAQVNTSY-IRXDYDNUSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCN1Cc2cnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001209162012 1092677247 /nfs/dbraw/zinc/67/72/47/1092677247.db2.gz QJHREKCODBUQOJ-QGZVFWFLSA-N 0 3 303.450 3.195 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCc2cncc(C)c2)C1 ZINC001209193921 1092689383 /nfs/dbraw/zinc/68/93/83/1092689383.db2.gz LRWWTJVAEUVCMF-SJLPKXTDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCC[C@H](C)CCC)C1 ZINC001149781161 1092730231 /nfs/dbraw/zinc/73/02/31/1092730231.db2.gz MQMSOGRTMYUGFP-MSOLQXFVSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCCCCCCN1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001209436912 1092774423 /nfs/dbraw/zinc/77/44/23/1092774423.db2.gz ZOTKZAGLIARJPZ-UHFFFAOYSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCCCCCN1CCN(c2ccc(Cl)nn2)CC1 ZINC001209440193 1092774555 /nfs/dbraw/zinc/77/45/55/1092774555.db2.gz DWYCBCCUIPUPRI-UHFFFAOYSA-N 0 3 308.857 3.389 20 30 DGEDHN CC[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001209459058 1092783871 /nfs/dbraw/zinc/78/38/71/1092783871.db2.gz TTYZJHQECIIJPX-INIZCTEOSA-N 0 3 317.433 3.293 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001150751552 1092819076 /nfs/dbraw/zinc/81/90/76/1092819076.db2.gz HBOAHIAOGUJBOL-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001151346363 1092888646 /nfs/dbraw/zinc/88/86/46/1092888646.db2.gz RVQSFPSDKYFUKZ-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC001210297444 1093115244 /nfs/dbraw/zinc/11/52/44/1093115244.db2.gz FZNLKBLHYGDBEO-ZHALLVOQSA-N 0 3 314.473 3.186 20 30 DGEDHN C=CCCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001210468615 1093177908 /nfs/dbraw/zinc/17/79/08/1093177908.db2.gz JAOBMAWHXLATQA-TZMCWYRMSA-N 0 3 319.474 3.037 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001211255889 1093434359 /nfs/dbraw/zinc/43/43/59/1093434359.db2.gz SCZHYTDFRSMNJG-HHXXYDBFSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001211434743 1093493280 /nfs/dbraw/zinc/49/32/80/1093493280.db2.gz DOLNSKPJPSGEOV-UHFFFAOYSA-N 0 3 312.348 3.246 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001211436395 1093494190 /nfs/dbraw/zinc/49/41/90/1093494190.db2.gz JRNFBCLVQWFBJA-UHFFFAOYSA-N 0 3 311.385 3.438 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(C)CCCC2)[C@H](OC)C1 ZINC001213228838 1093545669 /nfs/dbraw/zinc/54/56/69/1093545669.db2.gz ZBMWZEMTSUAETD-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CC[C@@H](C)CC)[C@H](OC)C1 ZINC001213612384 1093624889 /nfs/dbraw/zinc/62/48/89/1093624889.db2.gz ZUCDFEADQHTDBE-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](CC)CCCCC)[C@H](OC)C1 ZINC001213897872 1093677743 /nfs/dbraw/zinc/67/77/43/1093677743.db2.gz OECKMBRKNCDAON-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@H](OC)C1 ZINC001213908570 1093678690 /nfs/dbraw/zinc/67/86/90/1093678690.db2.gz NMCZCEMWCHYSJX-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(CCCC)cc1 ZINC001214150336 1093722552 /nfs/dbraw/zinc/72/25/52/1093722552.db2.gz DKQCUEPVHAZMCT-UHFFFAOYSA-N 0 3 301.434 3.106 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001214528996 1093791826 /nfs/dbraw/zinc/79/18/26/1093791826.db2.gz HYCJREVIEBDBLY-CRAIPNDOSA-N 0 3 324.424 3.173 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001214741569 1093844821 /nfs/dbraw/zinc/84/48/21/1093844821.db2.gz QRYRXIZXVVWMOZ-CXAGYDPISA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001215366069 1093969257 /nfs/dbraw/zinc/96/92/57/1093969257.db2.gz YFQFWUOIIURJHW-IIDMSEBBSA-N 0 3 318.436 3.365 20 30 DGEDHN Cn1cnc(C#N)c1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215711246 1094037269 /nfs/dbraw/zinc/03/72/69/1094037269.db2.gz JKMKHZMDLCPOMN-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)c2c(n1)CCCC2 ZINC001119947026 1094319200 /nfs/dbraw/zinc/31/92/00/1094319200.db2.gz KOCSHEDIBFTVIF-UHFFFAOYSA-N 0 3 321.424 3.461 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)CC1(C)CC1)NCc1ccccc1C#N ZINC001135062023 1094390216 /nfs/dbraw/zinc/39/02/16/1094390216.db2.gz ILJBMGANEKNGTQ-CABCVRRESA-N 0 3 313.445 3.121 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(=C)Cl)C1 ZINC001120348643 1094411294 /nfs/dbraw/zinc/41/12/94/1094411294.db2.gz ZGPYMNYTALAXNT-HZPDHXFCSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1conc1CC ZINC001135180666 1094430384 /nfs/dbraw/zinc/43/03/84/1094430384.db2.gz IYOVTMJYERELAV-ZIAGYGMSSA-N 0 3 321.465 3.212 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135184421 1094433171 /nfs/dbraw/zinc/43/31/71/1094433171.db2.gz HNVKMMYEYKVDAY-OLZOCXBDSA-N 0 3 323.506 3.427 20 30 DGEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCCC(C)(C)C)[C@H]2C1 ZINC001217550406 1094438558 /nfs/dbraw/zinc/43/85/58/1094438558.db2.gz ZIKZNRREEQOFNZ-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001135236283 1094454875 /nfs/dbraw/zinc/45/48/75/1094454875.db2.gz RKEYDJSFQDLRCH-OLZOCXBDSA-N 0 3 321.465 3.131 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCC(=C)Br ZINC001135353094 1094499811 /nfs/dbraw/zinc/49/98/11/1094499811.db2.gz BZRZYPAGSNPBMD-CHWSQXEVSA-N 0 3 317.271 3.124 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OC1c2ccccc2CCc2ccccc21 ZINC001217832553 1094502311 /nfs/dbraw/zinc/50/23/11/1094502311.db2.gz OXAOEHHCUWKGOS-QFBILLFUSA-N 0 3 304.393 3.003 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2cnc(C)o2)CC1 ZINC001135382409 1094510562 /nfs/dbraw/zinc/51/05/62/1094510562.db2.gz HLQZQVZIVBUTQL-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@H](C)NCc2cc(C)no2)CCC1 ZINC001135390403 1094521604 /nfs/dbraw/zinc/52/16/04/1094521604.db2.gz JRJBEEXKMHLSIN-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C2CC2)C1 ZINC001103350325 1094593024 /nfs/dbraw/zinc/59/30/24/1094593024.db2.gz OKLOEFHRVHYYJU-TZMCWYRMSA-N 0 3 312.885 3.249 20 30 DGEDHN [O-]c1ccccc1N=CC=Nc1ccccc1O[C@H]1CC[NH2+]C1 ZINC001218180186 1094644179 /nfs/dbraw/zinc/64/41/79/1094644179.db2.gz LNGSJRJPCGSJLJ-AWEZNQCLSA-N 0 3 309.369 3.238 20 30 DGEDHN C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccnc3c4c(nn32)CCNC4)C1 ZINC001218213400 1094663014 /nfs/dbraw/zinc/66/30/14/1094663014.db2.gz FPUXVTFBKXNBQS-PBHICJAKSA-N 0 3 324.428 3.055 20 30 DGEDHN C=C(C)[C@H]1CC=C(C)[C@H](Oc2ccnc3c4c(nn32)CCNC4)C1 ZINC001218213402 1094663289 /nfs/dbraw/zinc/66/32/89/1094663289.db2.gz FPUXVTFBKXNBQS-WMLDXEAASA-N 0 3 324.428 3.055 20 30 DGEDHN N#CC1(CN[C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170856400 1094708359 /nfs/dbraw/zinc/70/83/59/1094708359.db2.gz MCZSNLCPPATUPX-AWEZNQCLSA-N 0 3 305.219 3.200 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121569493 1094714963 /nfs/dbraw/zinc/71/49/63/1094714963.db2.gz GZPFVKQTVGUHNN-LFYBBSHMSA-N 0 3 308.853 3.278 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121611819 1094725686 /nfs/dbraw/zinc/72/56/86/1094725686.db2.gz ZYTFMDZKLFWGAI-CXTNICHPSA-N 0 3 310.869 3.214 20 30 DGEDHN C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@H]2CN[C@H]2C)c1 ZINC001218385787 1094743890 /nfs/dbraw/zinc/74/38/90/1094743890.db2.gz LOEDRCNASRTBDA-LIRRHRJNSA-N 0 3 323.392 3.222 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccccc2C)C[C@H]1C ZINC001103835438 1094766920 /nfs/dbraw/zinc/76/69/20/1094766920.db2.gz OJQKESRQTSEEJS-GDBMZVCRSA-N 0 3 320.864 3.435 20 30 DGEDHN C=C[C@@H](CCCC)Oc1nc2onc(C)c2c2c1CNCC2 ZINC001218437149 1094772497 /nfs/dbraw/zinc/77/24/97/1094772497.db2.gz WCEBCTKCNHJLFN-LBPRGKRZSA-N 0 3 301.390 3.301 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2occc2C)C[C@H]1C ZINC001103882358 1094784898 /nfs/dbraw/zinc/78/48/98/1094784898.db2.gz LEMILUHUXGLKNF-TZMCWYRMSA-N 0 3 310.825 3.028 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC001121900162 1094820136 /nfs/dbraw/zinc/82/01/36/1094820136.db2.gz DATMOVRIIMNFPG-OLZOCXBDSA-N 0 3 317.458 3.499 20 30 DGEDHN CCCCCCCCCN(C)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001121932127 1094832218 /nfs/dbraw/zinc/83/22/18/1094832218.db2.gz FHLLPWTWHPBPJH-OAHLLOKOSA-N 0 3 320.481 3.499 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001121971396 1094851177 /nfs/dbraw/zinc/85/11/77/1094851177.db2.gz PPAIDLIAPIKTRO-JTQLQIEISA-N 0 3 308.332 3.123 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)CC(C)C)C2 ZINC001121975166 1094856047 /nfs/dbraw/zinc/85/60/47/1094856047.db2.gz MRWCIMPUWHGQTB-WCWKGHBLSA-N 0 3 312.885 3.438 20 30 DGEDHN C#CCCCCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000692933212 1094975695 /nfs/dbraw/zinc/97/56/95/1094975695.db2.gz DYEPRIYYUNWUTF-GOSISDBHSA-N 0 3 312.457 3.161 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H](O)C1 ZINC001219438159 1094977671 /nfs/dbraw/zinc/97/76/71/1094977671.db2.gz LENLAQDDLYRWKA-MSOLQXFVSA-N 0 3 322.493 3.009 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCc1ccc2c(ccn2C)c1 ZINC001219597189 1094991497 /nfs/dbraw/zinc/99/14/97/1094991497.db2.gz DBWAUNDUZUEUOO-KRWDZBQOSA-N 0 3 313.445 3.258 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H]1CCOc2cccc(C)c21 ZINC001219682957 1095004361 /nfs/dbraw/zinc/00/43/61/1095004361.db2.gz RGEWQDSGJSBNNP-JKSUJKDBSA-N 0 3 316.445 3.399 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001111892029 1095004579 /nfs/dbraw/zinc/00/45/79/1095004579.db2.gz JVFLFKOKHCYTBU-QRFRQXIXSA-N 0 3 316.489 3.197 20 30 DGEDHN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1cccc(F)n1 ZINC001122637979 1095023099 /nfs/dbraw/zinc/02/30/99/1095023099.db2.gz VQECZFQUHUGXIY-MALLOTDXSA-N 0 3 301.708 3.159 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001112013677 1095024840 /nfs/dbraw/zinc/02/48/40/1095024840.db2.gz BHOSQCFRADCWAW-BJLQDIEVSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112152177 1095036516 /nfs/dbraw/zinc/03/65/16/1095036516.db2.gz MBPHKYQASQFDNE-MGPQQGTHSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)CCC)C[C@H]1C(F)(F)F ZINC001112157186 1095038502 /nfs/dbraw/zinc/03/85/02/1095038502.db2.gz WBIFJLFDIZCMTH-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC)CC(C)C)C[C@H]1C(F)(F)F ZINC001112189900 1095039558 /nfs/dbraw/zinc/03/95/58/1095039558.db2.gz BJZOJUPCBNYFNG-BFHYXJOUSA-N 0 3 320.399 3.224 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](C)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001112199300 1095042196 /nfs/dbraw/zinc/04/21/96/1095042196.db2.gz QCQVHERTGKAWFI-YNEHKIRRSA-N 0 3 320.399 3.224 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001219987997 1095043417 /nfs/dbraw/zinc/04/34/17/1095043417.db2.gz QQGVEKVECSHOIG-KRWDZBQOSA-N 0 3 313.445 3.373 20 30 DGEDHN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1cccc(F)n1 ZINC001122735599 1095053243 /nfs/dbraw/zinc/05/32/43/1095053243.db2.gz MYJDGDSXLJAKFI-AWEZNQCLSA-N 0 3 312.348 3.097 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220132516 1095057741 /nfs/dbraw/zinc/05/77/41/1095057741.db2.gz MFDVFVDNMFIRKW-KSZLIROESA-N 0 3 324.509 3.111 20 30 DGEDHN COC(=O)c1ccc(C(=N)Nc2ccc3cnc(C)cc3c2)cc1 ZINC001170989044 1095087399 /nfs/dbraw/zinc/08/73/99/1095087399.db2.gz JDMXULTVODYCIL-UHFFFAOYSA-N 0 3 319.364 3.367 20 30 DGEDHN C=CCCCN(CC)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001220679317 1095138200 /nfs/dbraw/zinc/13/82/00/1095138200.db2.gz JPTGZWBZAMGVGV-QGZVFWFLSA-N 0 3 303.450 3.287 20 30 DGEDHN C[C@@H](COC(=O)C1(c2cccc(C#N)c2)CC1)N1CCCCC1 ZINC001123092832 1095154054 /nfs/dbraw/zinc/15/40/54/1095154054.db2.gz NZPOFXQBSFCRGK-HNNXBMFYSA-N 0 3 312.413 3.007 20 30 DGEDHN C[C@H](COC(=O)C1(c2cccc(C#N)c2)CC1)N1CCCCC1 ZINC001123092833 1095154126 /nfs/dbraw/zinc/15/41/26/1095154126.db2.gz NZPOFXQBSFCRGK-OAHLLOKOSA-N 0 3 312.413 3.007 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4c(Cl)cccc4C3)CCC2S1 ZINC001171037064 1095172737 /nfs/dbraw/zinc/17/27/37/1095172737.db2.gz JKFPBQOVVLKWTE-BBRMVZONSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4c(Cl)cccc4C3)CC[C@@H]2S1 ZINC001171037064 1095172742 /nfs/dbraw/zinc/17/27/42/1095172742.db2.gz JKFPBQOVVLKWTE-BBRMVZONSA-N 0 3 319.857 3.471 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC001221100857 1095200324 /nfs/dbraw/zinc/20/03/24/1095200324.db2.gz PZFAJLWOVMNFPV-AEFFLSMTSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCC(=O)N1CCC(CNCc2ncc(C)s2)CC1 ZINC001206104784 1095211359 /nfs/dbraw/zinc/21/13/59/1095211359.db2.gz BVVOBXAUPADCBT-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(C)CC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001115413890 1095213614 /nfs/dbraw/zinc/21/36/14/1095213614.db2.gz AJTAMWKPQZCPNA-UHFFFAOYSA-N 0 3 316.445 3.381 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001221228989 1095217134 /nfs/dbraw/zinc/21/71/34/1095217134.db2.gz LHRMEPSISFCKTC-HZPDHXFCSA-N 0 3 304.434 3.396 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1cccc(F)c1 ZINC001123337644 1095245452 /nfs/dbraw/zinc/24/54/52/1095245452.db2.gz SAAXQNLXPZSSLF-OAHLLOKOSA-N 0 3 315.348 3.078 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001221488841 1095281732 /nfs/dbraw/zinc/28/17/32/1095281732.db2.gz ZUIPJGRBVOLCFF-WOJBJXKFSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221488307 1095283024 /nfs/dbraw/zinc/28/30/24/1095283024.db2.gz BVWJIKQDFPTOOO-WOJBJXKFSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC2(F)F)CCCCC1 ZINC001115589100 1095288914 /nfs/dbraw/zinc/28/89/14/1095288914.db2.gz QOWKPKVMEQQIQV-LBPRGKRZSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCC2(F)F)CCCCC1 ZINC001115589099 1095289922 /nfs/dbraw/zinc/28/99/22/1095289922.db2.gz QOWKPKVMEQQIQV-GFCCVEGCSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221583085 1095306270 /nfs/dbraw/zinc/30/62/70/1095306270.db2.gz DFRAAPYPCLXFLX-RTBURBONSA-N 0 3 312.457 3.384 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001221779832 1095352345 /nfs/dbraw/zinc/35/23/45/1095352345.db2.gz OROQROZAUBPMLZ-RTBURBONSA-N 0 3 312.457 3.384 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2occc2C)CCCCC1 ZINC001115719688 1095354575 /nfs/dbraw/zinc/35/45/75/1095354575.db2.gz CIWFLJPJWUKYCL-UHFFFAOYSA-N 0 3 324.852 3.292 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC23CCC3)CCCCC1 ZINC001115751421 1095367776 /nfs/dbraw/zinc/36/77/76/1095367776.db2.gz ZLILJHLSHLUFMM-AWEZNQCLSA-N 0 3 310.869 3.338 20 30 DGEDHN C=CCN(C)Cc1ccccc1N1CCC(C(=O)OCC)CC1 ZINC001144100131 1095510853 /nfs/dbraw/zinc/51/08/53/1095510853.db2.gz WYKPVSSBLOGCKW-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cccc(O)c1C)C2 ZINC001144116921 1095517590 /nfs/dbraw/zinc/51/75/90/1095517590.db2.gz OQPATVKOUZOBEU-IEBWSBKVSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCC[C@H](C)[NH+]1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001222381645 1095582433 /nfs/dbraw/zinc/58/24/33/1095582433.db2.gz NPAPTOVIWFGOQI-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCC(F)(F)F)C1 ZINC001116541336 1095593197 /nfs/dbraw/zinc/59/31/97/1095593197.db2.gz FJLQYNXOSQYPON-AWEZNQCLSA-N 0 3 315.335 3.405 20 30 DGEDHN O=C1C=C2CN(Cc3c(Cl)cncc3Cl)CCC2S1 ZINC001137605592 1095686588 /nfs/dbraw/zinc/68/65/88/1095686588.db2.gz YBDHEZOWQDEFIP-GFCCVEGCSA-N 0 3 315.225 3.163 20 30 DGEDHN C=CCC[C@H]1CCCN1c1nnc([C@H]2CCCN(C)C2)n1CC ZINC001339688921 1095699371 /nfs/dbraw/zinc/69/93/71/1095699371.db2.gz OBXAFPUVZAOZKW-HOTGVXAUSA-N 0 3 317.481 3.042 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(CC2CCC2)cn1 ZINC001171197835 1095713639 /nfs/dbraw/zinc/71/36/39/1095713639.db2.gz DEKSUOJGUIJNOS-HNNXBMFYSA-N 0 3 308.429 3.276 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc1 ZINC001144581495 1095718282 /nfs/dbraw/zinc/71/82/82/1095718282.db2.gz STSFRABAFIMESY-RBUKOAKNSA-N 0 3 300.421 3.066 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)cc1 ZINC001144568080 1095720172 /nfs/dbraw/zinc/72/01/72/1095720172.db2.gz KGDXGNKAIGNMSJ-CZUORRHYSA-N 0 3 311.347 3.193 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CCCCN3C(C)=O)CC2)cc1 ZINC001144573241 1095722385 /nfs/dbraw/zinc/72/23/85/1095722385.db2.gz FCEJQJOFGPDKDP-UHFFFAOYSA-N 0 3 310.441 3.035 20 30 DGEDHN C#Cc1ccc(CN2CCN(CCc3ccccc3)CC2)cc1 ZINC001144574035 1095723201 /nfs/dbraw/zinc/72/32/01/1095723201.db2.gz ZZUZSVVSUBDQIO-UHFFFAOYSA-N 0 3 304.437 3.028 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001276833093 1095728152 /nfs/dbraw/zinc/72/81/52/1095728152.db2.gz CAPVDJYZGNSDFH-SFHVURJKSA-N 0 3 302.462 3.261 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC001171202782 1095743290 /nfs/dbraw/zinc/74/32/90/1095743290.db2.gz GEUSBRQYPLDDCW-INIZCTEOSA-N 0 3 321.424 3.017 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC001339985044 1095801751 /nfs/dbraw/zinc/80/17/51/1095801751.db2.gz GXMOVSFTDQPRMJ-NVXWUHKLSA-N 0 3 318.486 3.311 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC001340180195 1095898839 /nfs/dbraw/zinc/89/88/39/1095898839.db2.gz KDRVXLREKXTOPI-HNNXBMFYSA-N 0 3 315.442 3.356 20 30 DGEDHN C=C[C@@H](O[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)N2C)c1ccccc1 ZINC001223309988 1095931597 /nfs/dbraw/zinc/93/15/97/1095931597.db2.gz BVZVYMDTDKKWIA-NTZUZEMLSA-N 0 3 315.413 3.097 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001276884090 1095949620 /nfs/dbraw/zinc/94/96/20/1095949620.db2.gz PBNKCGJVIPCBDX-UONOGXRCSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCCC(C)(C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001223453187 1095973490 /nfs/dbraw/zinc/97/34/90/1095973490.db2.gz IOLDVLOYVMGMIT-KRWDZBQOSA-N 0 3 317.477 3.203 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C[C@H](C)CCC)C[C@]2(C)C1 ZINC001276893601 1095981934 /nfs/dbraw/zinc/98/19/34/1095981934.db2.gz JUMCKJVQCOLKLD-QRQLOZEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC001340638474 1095995733 /nfs/dbraw/zinc/99/57/33/1095995733.db2.gz ZRFQLNOYCXULSV-OAHLLOKOSA-N 0 3 319.836 3.164 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001276901484 1096005157 /nfs/dbraw/zinc/00/51/57/1096005157.db2.gz UPBVXESBIYITJS-UONOGXRCSA-N 0 3 314.420 3.215 20 30 DGEDHN N#CC[C@@H](O)CN[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001340734971 1096018968 /nfs/dbraw/zinc/01/89/68/1096018968.db2.gz ZWLGCXBIFJQQTP-AEFFLSMTSA-N 0 3 314.816 3.488 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)CC(C)C)C[C@@H]21 ZINC001223887355 1096085797 /nfs/dbraw/zinc/08/57/97/1096085797.db2.gz JDRKKDYAXZQXLD-SJORKVTESA-N 0 3 304.478 3.005 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)C)C[C@@H]21 ZINC001223900589 1096091370 /nfs/dbraw/zinc/09/13/70/1096091370.db2.gz GZCNCYCFUFHDLX-KSZLIROESA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](CC)c3ccccc3)C[C@@H]21 ZINC001223903471 1096092022 /nfs/dbraw/zinc/09/20/22/1096092022.db2.gz BOSRQQTWHZMPSD-SXLOBPIMSA-N 0 3 324.468 3.126 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001276942473 1096124855 /nfs/dbraw/zinc/12/48/55/1096124855.db2.gz XPTUXCHREDVDQC-LBPRGKRZSA-N 0 3 312.866 3.101 20 30 DGEDHN Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2c1cccc(C#N)c1 ZINC001276953927 1096145779 /nfs/dbraw/zinc/14/57/79/1096145779.db2.gz SGJIGUFEZXSKJH-IRXDYDNUSA-N 0 3 324.453 3.176 20 30 DGEDHN N#Cc1ccccc1N1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276953385 1096154820 /nfs/dbraw/zinc/15/48/20/1096154820.db2.gz KPFXQOUNWJTQFX-HDICACEKSA-N 0 3 320.440 3.235 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](CCCC)C(C)C)C[C@@H]21 ZINC001224257451 1096173925 /nfs/dbraw/zinc/17/39/25/1096173925.db2.gz WTVLFHPOFOAWFM-QYZOEREBSA-N 0 3 318.505 3.395 20 30 DGEDHN CCCCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1ccc(C)o1 ZINC001119387811 1096185426 /nfs/dbraw/zinc/18/54/26/1096185426.db2.gz GTWDEKTVOUEFIW-HUUCEWRRSA-N 0 3 305.422 3.299 20 30 DGEDHN CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC001224355600 1096195648 /nfs/dbraw/zinc/19/56/48/1096195648.db2.gz WSEXURGLXRSBGT-IAGOWNOFSA-N 0 3 318.848 3.119 20 30 DGEDHN CC[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)C(C)(C)C ZINC001147476439 1096227612 /nfs/dbraw/zinc/22/76/12/1096227612.db2.gz YLYLEZLYWQUPGX-QGZVFWFLSA-N 0 3 315.461 3.226 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](CC)CCCC)C2)C1 ZINC001147946448 1096296444 /nfs/dbraw/zinc/29/64/44/1096296444.db2.gz XCFXNOMYSFGGIE-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCC(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001148199616 1096319326 /nfs/dbraw/zinc/31/93/26/1096319326.db2.gz MBKOGGBEYJNOJB-UHFFFAOYSA-N 0 3 318.486 3.447 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CC[C@@H](C)c3ccccc3)C2)C1 ZINC001148390706 1096356613 /nfs/dbraw/zinc/35/66/13/1096356613.db2.gz JFEKVDDRAZPKMY-GOSISDBHSA-N 0 3 324.468 3.128 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001225333306 1096399896 /nfs/dbraw/zinc/39/98/96/1096399896.db2.gz RPGAHMZAVXZMCV-KRWDZBQOSA-N 0 3 312.457 3.032 20 30 DGEDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ncccc1C#N ZINC001225406485 1096420152 /nfs/dbraw/zinc/42/01/52/1096420152.db2.gz ZOCDCSKRZBCKBC-MAUKXSAKSA-N 0 3 307.397 3.243 20 30 DGEDHN CCCCCCCCC(=O)NCCNCc1ccc(OC)nc1 ZINC001148728026 1096431499 /nfs/dbraw/zinc/43/14/99/1096431499.db2.gz SHMMURNDPIHIPV-UHFFFAOYSA-N 0 3 321.465 3.047 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)CCCCC)C2)C1 ZINC001148811498 1096451811 /nfs/dbraw/zinc/45/18/11/1096451811.db2.gz BXTHVRRNECBJKB-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N1CC2(C1)CCN(CC=C)C2 ZINC001148812927 1096452139 /nfs/dbraw/zinc/45/21/39/1096452139.db2.gz ZEYJFLZOPATJJI-LJQANCHMSA-N 0 3 324.468 3.142 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCCc3ccc(C)s3)C2)C1 ZINC001148950081 1096470025 /nfs/dbraw/zinc/47/00/25/1096470025.db2.gz HRJVFLQSGOPWRL-UHFFFAOYSA-N 0 3 318.486 3.100 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H]3C=CCC3)C2)CC1 ZINC001086902023 1096499911 /nfs/dbraw/zinc/49/99/11/1096499911.db2.gz UWYWRWMNBWTHPI-ZWKOTPCHSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C=C3CCCCC3)C2)CC1 ZINC001086907289 1096504312 /nfs/dbraw/zinc/50/43/12/1096504312.db2.gz QDPPDUMZLQAKPB-KRWDZBQOSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001225695190 1096506867 /nfs/dbraw/zinc/50/68/67/1096506867.db2.gz XYBXQLRXFPFDBF-QGZVFWFLSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001277066451 1096512015 /nfs/dbraw/zinc/51/20/15/1096512015.db2.gz VNCDHEMJQBDFAH-UHFFFAOYSA-N 0 3 318.436 3.497 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001086928523 1096518796 /nfs/dbraw/zinc/51/87/96/1096518796.db2.gz GHWCESOBRAYCLK-IRXDYDNUSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001091910355 1096547026 /nfs/dbraw/zinc/54/70/26/1096547026.db2.gz UIXOKXIZZONPBA-VKJFTORMSA-N 0 3 310.457 3.117 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc([C@@H](C)CC)cc3)C[C@]2(C)C1 ZINC001092306530 1096599970 /nfs/dbraw/zinc/59/99/70/1096599970.db2.gz FGDWIGRMSZCXJG-SCWSEQNSSA-N 0 3 324.468 3.227 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(CC)CCCCC3)C[C@]2(C)C1 ZINC001092294911 1096602496 /nfs/dbraw/zinc/60/24/96/1096602496.db2.gz IISOSTUIEGOVKU-MJGOQNOKSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001226523517 1096713371 /nfs/dbraw/zinc/71/33/71/1096713371.db2.gz YRSALNZCFWYGJP-IAGOWNOFSA-N 0 3 319.449 3.165 20 30 DGEDHN C=CCCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N(C)CCOC ZINC001277169459 1096829168 /nfs/dbraw/zinc/82/91/68/1096829168.db2.gz CHIAMEZJDMKWKJ-MJGOQNOKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc(F)cc3C)CC2)C1 ZINC001277170435 1096831173 /nfs/dbraw/zinc/83/11/73/1096831173.db2.gz MKPJIWNBTUMRHK-UHFFFAOYSA-N 0 3 316.420 3.229 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(CCC)cc3)CCC[C@@H]12 ZINC001094500786 1096835235 /nfs/dbraw/zinc/83/52/35/1096835235.db2.gz WNFCSBDJKSNHEA-TZIWHRDSSA-N 0 3 324.468 3.247 20 30 DGEDHN C=C1CCC(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)CC1 ZINC001094505006 1096839646 /nfs/dbraw/zinc/83/96/46/1096839646.db2.gz RKZDBBVIGORPTK-SJLPKXTDSA-N 0 3 308.441 3.063 20 30 DGEDHN CC[C@@H](CC(=O)NCCCNCc1ccccc1C#N)C(C)C ZINC001171562339 1096924144 /nfs/dbraw/zinc/92/41/44/1096924144.db2.gz XTSBWIAENOKIHS-INIZCTEOSA-N 0 3 315.461 3.226 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)C[C@@H]1C(C)(C)C ZINC001171580075 1096929249 /nfs/dbraw/zinc/92/92/49/1096929249.db2.gz SONWPKSCPBLRQI-ZIAGYGMSSA-N 0 3 309.454 3.304 20 30 DGEDHN CCCCCCCN1CC2(C[C@@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001277224842 1096956515 /nfs/dbraw/zinc/95/65/15/1096956515.db2.gz DWHIPHBOMYNPRN-MRXNPFEDSA-N 0 3 322.468 3.239 20 30 DGEDHN CCCCCCCCN1CC2(C[C@@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277231790 1096969333 /nfs/dbraw/zinc/96/93/33/1096969333.db2.gz ZCIOEOSBRZKFOP-OAHLLOKOSA-N 0 3 304.438 3.031 20 30 DGEDHN CCCCCCCCCCN1CC[C@H](C(N)=O)n2nccc2C1 ZINC001277233616 1096973320 /nfs/dbraw/zinc/97/33/20/1096973320.db2.gz PRMDQKRFZAKCPO-QGZVFWFLSA-N 0 3 320.481 3.256 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1nccn1CC ZINC001171822846 1096975077 /nfs/dbraw/zinc/97/50/77/1096975077.db2.gz PWRAZWNPFBUKOE-UHFFFAOYSA-N 0 3 322.497 3.250 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCCCC2)C1 ZINC001171798351 1096981145 /nfs/dbraw/zinc/98/11/45/1096981145.db2.gz CNSDDHFYOQPEBP-SUMDDJOVSA-N 0 3 319.493 3.332 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCCCC2)C1 ZINC001171798349 1096981251 /nfs/dbraw/zinc/98/12/51/1096981251.db2.gz CNSDDHFYOQPEBP-AYBZRNKSSA-N 0 3 319.493 3.332 20 30 DGEDHN C=CCN(CCOc1ccc(F)c(Cl)c1)[C@@H](C)COC ZINC001171916058 1097000898 /nfs/dbraw/zinc/00/08/98/1097000898.db2.gz JQXQFTSEEWULDY-LBPRGKRZSA-N 0 3 301.789 3.381 20 30 DGEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](N1CC(CC#N)C1)C2 ZINC001172092663 1097040708 /nfs/dbraw/zinc/04/07/08/1097040708.db2.gz QLKKUPKHNIHIHL-MUJYYYPQSA-N 0 3 319.449 3.152 20 30 DGEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](NCC1(C#N)CC1)C2 ZINC001172094250 1097040950 /nfs/dbraw/zinc/04/09/50/1097040950.db2.gz KQGWRUTWWACUJB-QKDCVEJESA-N 0 3 319.449 3.200 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C/Cl)C1 ZINC001277285808 1097081079 /nfs/dbraw/zinc/08/10/79/1097081079.db2.gz QNSCHRVTJQRFKX-FRFGOACMSA-N 0 3 322.880 3.245 20 30 DGEDHN CC[C@H](C)OCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001172337969 1097117720 /nfs/dbraw/zinc/11/77/20/1097117720.db2.gz LMPZBNWNZLXMRB-SJORKVTESA-N 0 3 315.461 3.274 20 30 DGEDHN C=CCc1cc(OC)c(O[C@H]2CCN(C(C)C)C2)c(OC)c1 ZINC001228427879 1097119383 /nfs/dbraw/zinc/11/93/83/1097119383.db2.gz QCQRPNOXNUBYFD-HNNXBMFYSA-N 0 3 305.418 3.294 20 30 DGEDHN C[C@H](CCCC#N)NCc1cn(Cc2ccc(F)cc2)cn1 ZINC001172491423 1097168014 /nfs/dbraw/zinc/16/80/14/1097168014.db2.gz GSAAJRRRCPQIEJ-CQSZACIVSA-N 0 3 300.381 3.242 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1sc(C)nc1C)C2 ZINC001206166562 1097198946 /nfs/dbraw/zinc/19/89/46/1097198946.db2.gz VPWCKNLGOSKAGF-NVXWUHKLSA-N 0 3 322.474 3.086 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228828939 1097198968 /nfs/dbraw/zinc/19/89/68/1097198968.db2.gz NXIWPNGFCJAXDM-HUUCEWRRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228828935 1097199345 /nfs/dbraw/zinc/19/93/45/1097199345.db2.gz NPPRCLYQEJJKAF-IAGOWNOFSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CCCCC(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001228927717 1097219259 /nfs/dbraw/zinc/21/92/59/1097219259.db2.gz KHRJNOWUTASNHE-UHFFFAOYSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCc1cccs1 ZINC001277359210 1097261778 /nfs/dbraw/zinc/26/17/78/1097261778.db2.gz AWHULCHBBCJYFF-CVEARBPZSA-N 0 3 318.486 3.322 20 30 DGEDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC1(CC#N)CCCC1 ZINC001172964091 1097293067 /nfs/dbraw/zinc/29/30/67/1097293067.db2.gz MRYFWFLKCPDXTD-AWEZNQCLSA-N 0 3 309.454 3.448 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCCCCC(C)C)CC1 ZINC001229493780 1097332600 /nfs/dbraw/zinc/33/26/00/1097332600.db2.gz PCISZVDTZAYUHR-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN Cc1ccc(C#N)c(NC(=O)C23CC(NCc4ccco4)(C2)C3)c1 ZINC001277394114 1097335730 /nfs/dbraw/zinc/33/57/30/1097335730.db2.gz NJQIDXOPJGCJPN-UHFFFAOYSA-N 0 3 321.380 3.111 20 30 DGEDHN CCC(=O)C1(c2cccc(O[C@H](C)CS)c2)CCN(C)CC1 ZINC001229738247 1097374739 /nfs/dbraw/zinc/37/47/39/1097374739.db2.gz RZYLLALNPQOIAB-CQSZACIVSA-N 0 3 321.486 3.326 20 30 DGEDHN N#CCC1CCC(N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001173337190 1097421666 /nfs/dbraw/zinc/42/16/66/1097421666.db2.gz AGEABBRJOWIJMB-UHFFFAOYSA-N 0 3 318.852 3.329 20 30 DGEDHN N#CCC1CCC(n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001173337446 1097421720 /nfs/dbraw/zinc/42/17/20/1097421720.db2.gz KSCSDLNQCIUZJY-UHFFFAOYSA-N 0 3 312.339 3.193 20 30 DGEDHN C=CCOC1CCC(N[C@H](CO)c2cc(F)ccc2F)CC1 ZINC001173319294 1097429219 /nfs/dbraw/zinc/42/92/19/1097429219.db2.gz DLVILSZGNOVTHE-MQBCKMQZSA-N 0 3 311.372 3.102 20 30 DGEDHN N#Cc1cccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)n1 ZINC001230043523 1097435214 /nfs/dbraw/zinc/43/52/14/1097435214.db2.gz MOAAZOPHWQPMJL-YRWFTTLQSA-N 0 3 319.408 3.243 20 30 DGEDHN CCCCCCCCCCC(=O)NC1CCN(CCO)CC1 ZINC001230118163 1097447647 /nfs/dbraw/zinc/44/76/47/1097447647.db2.gz HZEDTWHQYBLWME-UHFFFAOYSA-N 0 3 312.498 3.090 20 30 DGEDHN CC(C)(C)OC(=O)NCC1(C)CN(C2CCC(C)(C#N)CC2)C1 ZINC001173600934 1097468687 /nfs/dbraw/zinc/46/86/87/1097468687.db2.gz MPRAXHCFIBLXEC-UHFFFAOYSA-N 0 3 321.465 3.305 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccoc1)[C@@H]2CC ZINC000503867256 1097481610 /nfs/dbraw/zinc/48/16/10/1097481610.db2.gz RTGVAEDRXFBMKK-AEFFLSMTSA-N 0 3 302.418 3.201 20 30 DGEDHN COC(=O)c1ccc(C[C@H](C)NC2(CC#N)CCCC2)cc1 ZINC001173721458 1097502768 /nfs/dbraw/zinc/50/27/68/1097502768.db2.gz BBFNGAUZMUXWDK-AWEZNQCLSA-N 0 3 300.402 3.220 20 30 DGEDHN C#CCCCC(=O)N1CCC([C@H]2CCCN2CC(=C)Cl)CC1 ZINC001230557743 1097512261 /nfs/dbraw/zinc/51/22/61/1097512261.db2.gz QZIDVZCMTUSXIR-QGZVFWFLSA-N 0 3 322.880 3.245 20 30 DGEDHN CC(=O)Nc1ccc(Nc2ccccc2CN(C)C)cc1C#N ZINC001173931208 1097556251 /nfs/dbraw/zinc/55/62/51/1097556251.db2.gz GSHIEHZNTSROAT-UHFFFAOYSA-N 0 3 308.385 3.322 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCc1ccco1 ZINC001230765920 1097577639 /nfs/dbraw/zinc/57/76/39/1097577639.db2.gz NLYSMSSQXWNSPP-QGZVFWFLSA-N 0 3 318.461 3.491 20 30 DGEDHN C=CCC1(C(=O)NCCCN(CC)Cc2cccnc2)CCC1 ZINC001230840977 1097603660 /nfs/dbraw/zinc/60/36/60/1097603660.db2.gz LWEHHJDIYBUCJJ-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001231027247 1097649855 /nfs/dbraw/zinc/64/98/55/1097649855.db2.gz XLKFFRYJFHXRDU-SJORKVTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001231062713 1097659064 /nfs/dbraw/zinc/65/90/64/1097659064.db2.gz SCCLKGKKPXWMNV-IRXDYDNUSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC/C=C\CCC ZINC001231095848 1097668017 /nfs/dbraw/zinc/66/80/17/1097668017.db2.gz UNIQUFVBXFWVEE-ZWHYWQQASA-N 0 3 322.493 3.247 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001231101312 1097668860 /nfs/dbraw/zinc/66/88/60/1097668860.db2.gz BCQXNIAWQGQOFS-FUHWJXTLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1cc(C)ccc1C ZINC001231115369 1097672072 /nfs/dbraw/zinc/67/20/72/1097672072.db2.gz UYSUMSNTGRPQKU-SFHVURJKSA-N 0 3 300.446 3.302 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001231131359 1097677288 /nfs/dbraw/zinc/67/72/88/1097677288.db2.gz MZCSMZOUDAFCRP-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncoc1CC ZINC001231342663 1097726143 /nfs/dbraw/zinc/72/61/43/1097726143.db2.gz OXYOPSDKYJTNKN-OAHLLOKOSA-N 0 3 321.465 3.354 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)COCCCC ZINC001231379217 1097734218 /nfs/dbraw/zinc/73/42/18/1097734218.db2.gz XSCSPIKEDZNGRI-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN COc1ccc(CCN(C)Cc2ccc(C#N)cc2OC)cc1 ZINC001231620220 1097793355 /nfs/dbraw/zinc/79/33/55/1097793355.db2.gz SIIRLVJIMCWDOL-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@H](C(=O)OCCCC)C2)c1 ZINC001231624479 1097794167 /nfs/dbraw/zinc/79/41/67/1097794167.db2.gz HPUPFROVKPZJQS-KRWDZBQOSA-N 0 3 317.429 3.417 20 30 DGEDHN O=C1C=C2CN(Cc3coc(-c4ccccc4)n3)CCC2S1 ZINC001231629513 1097796249 /nfs/dbraw/zinc/79/62/49/1097796249.db2.gz ONGNSKOJMNFPEF-OAHLLOKOSA-N 0 3 312.394 3.116 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001174987379 1097918299 /nfs/dbraw/zinc/91/82/99/1097918299.db2.gz OBLORBMBQBYROA-CQSZACIVSA-N 0 3 307.438 3.104 20 30 DGEDHN CCc1ccc(C(=O)NCCCNCc2ccccc2C#N)cc1 ZINC001175084823 1097942681 /nfs/dbraw/zinc/94/26/81/1097942681.db2.gz DJNRIIQKFSYZET-UHFFFAOYSA-N 0 3 321.424 3.030 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc2ccccc21 ZINC001175125614 1097954938 /nfs/dbraw/zinc/95/49/38/1097954938.db2.gz MIYNJZBCPXVBRF-UHFFFAOYSA-N 0 3 302.805 3.302 20 30 DGEDHN CCCCCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001175195385 1097962251 /nfs/dbraw/zinc/96/22/51/1097962251.db2.gz XNVFWKYHAYPJTJ-UHFFFAOYSA-N 0 3 319.424 3.264 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200062 1097963071 /nfs/dbraw/zinc/96/30/71/1097963071.db2.gz OHNBMSMRCNYZLH-OAHLLOKOSA-N 0 3 318.848 3.022 20 30 DGEDHN CN(C(=O)CC1CCC1)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001277629800 1097966174 /nfs/dbraw/zinc/96/61/74/1097966174.db2.gz QARJCDFOMCADRB-HXUWFJFHSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1c(C)cccc1F)C2 ZINC001232487235 1098056882 /nfs/dbraw/zinc/05/68/82/1098056882.db2.gz NTFBSASRPSQFTI-LPHOPBHVSA-N 0 3 319.420 3.460 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCCN(Cc2ccc(C#N)s2)C1 ZINC001232843950 1098150570 /nfs/dbraw/zinc/15/05/70/1098150570.db2.gz BMWDYAWYYZNKMR-INIZCTEOSA-N 0 3 306.431 3.175 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(F)c(F)c3Cl)CCC2S1 ZINC001232876773 1098159400 /nfs/dbraw/zinc/15/94/00/1098159400.db2.gz ZGPOYTHPUGBBEC-LLVKDONJSA-N 0 3 315.772 3.392 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cc(C#N)cnc3C)cc2)CC1 ZINC001175782498 1098169728 /nfs/dbraw/zinc/16/97/28/1098169728.db2.gz AQOYPVOHZHMATF-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cc(C)cnc3C#N)cc2)CC1 ZINC001175783536 1098170194 /nfs/dbraw/zinc/17/01/94/1098170194.db2.gz MTXSFAVLTYRARC-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnc(C)o2)C[C@@H]1C ZINC001277739507 1098181235 /nfs/dbraw/zinc/18/12/35/1098181235.db2.gz ICMJKLRZUFUEOV-ZFWWWQNUSA-N 0 3 319.449 3.054 20 30 DGEDHN Cc1ccc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(C#N)c1 ZINC001232963369 1098183904 /nfs/dbraw/zinc/18/39/04/1098183904.db2.gz FQLNPQNYTOCMOA-MSOLQXFVSA-N 0 3 317.392 3.034 20 30 DGEDHN Cc1ccc(CN(C)CCN(C)Cc2ccccc2)c(C#N)c1 ZINC001232968585 1098186747 /nfs/dbraw/zinc/18/67/47/1098186747.db2.gz JZDACSHFEJPUGR-UHFFFAOYSA-N 0 3 307.441 3.431 20 30 DGEDHN Cc1cccnc1N1CCCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233081015 1098222513 /nfs/dbraw/zinc/22/25/13/1098222513.db2.gz KRXZTVZOAVYFBH-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100681 1098227001 /nfs/dbraw/zinc/22/70/01/1098227001.db2.gz LMQYKWLEBBPFJT-MRXNPFEDSA-N 0 3 319.424 3.153 20 30 DGEDHN COCCN1CCC(Oc2ccc3cccc(C#N)c3c2)CC1 ZINC001233566594 1098378450 /nfs/dbraw/zinc/37/84/50/1098378450.db2.gz QPAXJQOKJOPSMF-UHFFFAOYSA-N 0 3 310.397 3.201 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCOC1 ZINC001233580951 1098382285 /nfs/dbraw/zinc/38/22/85/1098382285.db2.gz OSNPSARVNHZNHR-ZWKOTPCHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233610190 1098390144 /nfs/dbraw/zinc/39/01/44/1098390144.db2.gz FIFRAGITJWPGBK-ZBFHGGJFSA-N 0 3 304.434 3.397 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233695933 1098410307 /nfs/dbraw/zinc/41/03/07/1098410307.db2.gz URAYCFVOIRFARK-QZTJIDSGSA-N 0 3 317.477 3.328 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001233810610 1098435987 /nfs/dbraw/zinc/43/59/87/1098435987.db2.gz QXFAALFXBBQGME-HNNXBMFYSA-N 0 3 319.449 3.130 20 30 DGEDHN C#C[C@H]1CCCCN1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC001176832739 1098441849 /nfs/dbraw/zinc/44/18/49/1098441849.db2.gz GVVLVXWEQWHBPP-LSDHHAIUSA-N 0 3 311.347 3.097 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233916219 1098456193 /nfs/dbraw/zinc/45/61/93/1098456193.db2.gz UWMRHDQDCDGKHD-QWHCGFSZSA-N 0 3 310.825 3.434 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1CC ZINC001233966793 1098468017 /nfs/dbraw/zinc/46/80/17/1098468017.db2.gz QABQZGFXXZDEIB-LJQANCHMSA-N 0 3 312.457 3.085 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001177141883 1098482730 /nfs/dbraw/zinc/48/27/30/1098482730.db2.gz CEDBTEPGROMCRX-HNNXBMFYSA-N 0 3 312.816 3.168 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCCCC ZINC001234277202 1098527270 /nfs/dbraw/zinc/52/72/70/1098527270.db2.gz XHVSZYGMIKSPIM-ZWKOTPCHSA-N 0 3 324.509 3.471 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCOCC1CC1 ZINC001234297395 1098531188 /nfs/dbraw/zinc/53/11/88/1098531188.db2.gz TZTJUFQKQLOQLP-SFHVURJKSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001234313578 1098534860 /nfs/dbraw/zinc/53/48/60/1098534860.db2.gz DWWIYPASFSQQFS-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN C#CC[C@@H](CC(=O)NCCCNCC(=C)Cl)c1ccccc1 ZINC001177491053 1098542528 /nfs/dbraw/zinc/54/25/28/1098542528.db2.gz IHZWFSJAHIZIDU-KRWDZBQOSA-N 0 3 318.848 3.032 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC1CCC(C)(C)CC1 ZINC001177585815 1098559049 /nfs/dbraw/zinc/55/90/49/1098559049.db2.gz FLHMXPQYBSSJQE-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277859033 1098561085 /nfs/dbraw/zinc/56/10/85/1098561085.db2.gz RNYGRFJRLLUPRY-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001177651610 1098579645 /nfs/dbraw/zinc/57/96/45/1098579645.db2.gz DZYWECDZWHHJJO-GOSISDBHSA-N 0 3 320.864 3.030 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001234555405 1098597564 /nfs/dbraw/zinc/59/75/64/1098597564.db2.gz UCJSAUUGGAYVLM-OAHLLOKOSA-N 0 3 320.502 3.426 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001234554498 1098598511 /nfs/dbraw/zinc/59/85/11/1098598511.db2.gz KRIBZMATYKGBKQ-AWEZNQCLSA-N 0 3 318.864 3.438 20 30 DGEDHN CCN1CCN(c2ccc(OC3CCC(C#N)CC3)cc2)CC1 ZINC001234658078 1098634919 /nfs/dbraw/zinc/63/49/19/1098634919.db2.gz SSZBCSQBBBLKEI-UHFFFAOYSA-N 0 3 313.445 3.290 20 30 DGEDHN CC[C@@H](C)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001177899043 1098642126 /nfs/dbraw/zinc/64/21/26/1098642126.db2.gz SNIHFFLQZZYMJU-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(C(F)(F)F)no1 ZINC001177903744 1098643244 /nfs/dbraw/zinc/64/32/44/1098643244.db2.gz KMDDDFDVUTYJGS-ZETCQYMHSA-N 0 3 315.276 3.076 20 30 DGEDHN Cc1cccc2ncc(NC(=O)C(C#N)Cc3cccs3)n21 ZINC001177907504 1098645596 /nfs/dbraw/zinc/64/55/96/1098645596.db2.gz BADQSYQYGMJHIX-GFCCVEGCSA-N 0 3 310.382 3.025 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)[C@@H]1C ZINC001178316199 1098793299 /nfs/dbraw/zinc/79/32/99/1098793299.db2.gz YNMBYSOPQFZIFK-KEYYUXOJSA-N 0 3 304.409 3.432 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178374615 1098797844 /nfs/dbraw/zinc/79/78/44/1098797844.db2.gz BVFBCRBPGOLVPG-WWGRRREGSA-N 0 3 319.474 3.135 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc2c(o1)CCCC2 ZINC001235161619 1098846140 /nfs/dbraw/zinc/84/61/40/1098846140.db2.gz VEHILJJAZCVVLQ-INIZCTEOSA-N 0 3 316.445 3.271 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178503584 1098863656 /nfs/dbraw/zinc/86/36/56/1098863656.db2.gz GPTPXPJXYNPULJ-STQMWFEESA-N 0 3 317.260 3.078 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC/C=C\CCC)CCC1 ZINC001235209128 1098880569 /nfs/dbraw/zinc/88/05/69/1098880569.db2.gz JLRREFWZEUDWDM-ZEVQVBBLSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)CCC1 ZINC001235211006 1098882344 /nfs/dbraw/zinc/88/23/44/1098882344.db2.gz ZEZBOXCCWKEDRK-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235225133 1098898792 /nfs/dbraw/zinc/89/87/92/1098898792.db2.gz LCUPEFZGWDCZGP-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)CC1 ZINC001277930189 1098920945 /nfs/dbraw/zinc/92/09/45/1098920945.db2.gz XJVKYIXGKFKQLF-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)[C@@H]1C ZINC001178799232 1098935190 /nfs/dbraw/zinc/93/51/90/1098935190.db2.gz ZFIJNTORVSLREB-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001235375880 1098986250 /nfs/dbraw/zinc/98/62/50/1098986250.db2.gz LYZLXASZAUKDNL-DKRLNXSXSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCC(=O)NCCCN(C)Cc1ccc(F)c(Cl)c1 ZINC001235437209 1099034544 /nfs/dbraw/zinc/03/45/44/1099034544.db2.gz VYKYFCPXMGVJID-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179306032 1099057358 /nfs/dbraw/zinc/05/73/58/1099057358.db2.gz BQBYSBBYBHMFCX-HUUCEWRRSA-N 0 3 321.465 3.207 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179305945 1099057470 /nfs/dbraw/zinc/05/74/70/1099057470.db2.gz ACDJHORASGCBDX-GOEBONIOSA-N 0 3 321.465 3.207 20 30 DGEDHN CN(Cc1ccc2c(c1)OCCO2)Cc1ccccc1CC#N ZINC001235511873 1099069526 /nfs/dbraw/zinc/06/95/26/1099069526.db2.gz MQTLQWADRWLSLA-UHFFFAOYSA-N 0 3 308.381 3.156 20 30 DGEDHN N#CCc1ccccc1CN1CC[C@H](C(=O)c2ccccc2)C1 ZINC001235529053 1099077719 /nfs/dbraw/zinc/07/77/19/1099077719.db2.gz WLMDNHGAEBPFKH-IBGZPJMESA-N 0 3 304.393 3.457 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001179360028 1099082257 /nfs/dbraw/zinc/08/22/57/1099082257.db2.gz KOFOMBUSTRIJRH-YJBOKZPZSA-N 0 3 316.420 3.098 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001235684040 1099125842 /nfs/dbraw/zinc/12/58/42/1099125842.db2.gz IMBJVQYURSFBKV-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001235703263 1099137454 /nfs/dbraw/zinc/13/74/54/1099137454.db2.gz SXSOYTNGEOOSOV-AWEZNQCLSA-N 0 3 309.479 3.260 20 30 DGEDHN C=CCOc1ccccc1CN1CCN[C@H](c2ccccc2)C1 ZINC001235853803 1099215237 /nfs/dbraw/zinc/21/52/37/1099215237.db2.gz MCEIQKBDIPRUAB-IBGZPJMESA-N 0 3 308.425 3.398 20 30 DGEDHN N#CCc1ncc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001236472831 1099631542 /nfs/dbraw/zinc/63/15/42/1099631542.db2.gz ADXNPVRPZHLISV-MOPGFXCFSA-N 0 3 316.408 3.363 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(Cl)c1F ZINC001188426410 1099761855 /nfs/dbraw/zinc/76/18/55/1099761855.db2.gz MOEHEESMNWRERT-NSHDSACASA-N 0 3 311.788 3.251 20 30 DGEDHN O=C1C=C2CN(Cc3cc(O)cc4ccccc43)CCC2S1 ZINC001237068836 1099951806 /nfs/dbraw/zinc/95/18/06/1099951806.db2.gz PVLIUUXCESEIAZ-QGZVFWFLSA-N 0 3 311.406 3.320 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CCNc4ccccc43)CC2)cn1 ZINC001237322625 1100076162 /nfs/dbraw/zinc/07/61/62/1100076162.db2.gz KPSDYNNXPSEJLG-UHFFFAOYSA-N 0 3 318.424 3.303 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccccc2Cl)CC1 ZINC001278087085 1100091007 /nfs/dbraw/zinc/09/10/07/1100091007.db2.gz ADJVJKQXVBHFLJ-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1oc2ccccc2c1C ZINC001273584541 1100099495 /nfs/dbraw/zinc/09/94/95/1100099495.db2.gz SHNMABCAISFDAY-UHFFFAOYSA-N 0 3 312.413 3.158 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189707130 1100116560 /nfs/dbraw/zinc/11/65/60/1100116560.db2.gz QVRHKIKPIOOQKD-IMTHGLKYSA-N 0 3 324.468 3.426 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189858438 1100140975 /nfs/dbraw/zinc/14/09/75/1100140975.db2.gz RRVCTHKQHRXBCM-CRAIPNDOSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001189910437 1100148667 /nfs/dbraw/zinc/14/86/67/1100148667.db2.gz PDJWNOATBLDEGD-KRWDZBQOSA-N 0 3 324.424 3.269 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2CN(CC=C)C[C@H]21 ZINC001190280929 1100239530 /nfs/dbraw/zinc/23/95/30/1100239530.db2.gz CCWWIOCOKWMQKN-SLFFLAALSA-N 0 3 324.468 3.140 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001190281787 1100241435 /nfs/dbraw/zinc/24/14/35/1100241435.db2.gz JGRYUUXCRHJBLL-YTQUADARSA-N 0 3 310.441 3.065 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190361337 1100254591 /nfs/dbraw/zinc/25/45/91/1100254591.db2.gz FCBZNYRIBLRSPS-ROUUACIJSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001190428772 1100271838 /nfs/dbraw/zinc/27/18/38/1100271838.db2.gz POEDGFKUYCMUSV-MRXNPFEDSA-N 0 3 306.475 3.446 20 30 DGEDHN CCCCC[C@@H](CC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001151890717 1100326292 /nfs/dbraw/zinc/32/62/92/1100326292.db2.gz ORDHLPCGJVTNDH-CQSZACIVSA-N 0 3 321.490 3.432 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001273606936 1100333006 /nfs/dbraw/zinc/33/30/06/1100333006.db2.gz GKXVSMPEOUGIJU-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001273607615 1100340310 /nfs/dbraw/zinc/34/03/10/1100340310.db2.gz POVADILOKFQQDP-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)c1ccccc1)C1CCN(CC=C)CC1 ZINC001278200329 1100384964 /nfs/dbraw/zinc/38/49/64/1100384964.db2.gz DHRBDAFWORRTNG-GOSISDBHSA-N 0 3 324.468 3.292 20 30 DGEDHN CCCCCCCCNC(=O)N1CCC2SC(=O)C=C2C1 ZINC001191055558 1100389381 /nfs/dbraw/zinc/38/93/81/1100389381.db2.gz VJWZINSLEUHPER-CQSZACIVSA-N 0 3 310.463 3.331 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001278263600 1100496999 /nfs/dbraw/zinc/49/69/99/1100496999.db2.gz KSLBNONNLVJQQI-CZUORRHYSA-N 0 3 317.458 3.055 20 30 DGEDHN CCc1cc(CN2CCCN(c3ccccn3)CC2)ccc1C#N ZINC001238767709 1100523460 /nfs/dbraw/zinc/52/34/60/1100523460.db2.gz YXTFULDNNYYGFQ-UHFFFAOYSA-N 0 3 320.440 3.228 20 30 DGEDHN CCc1cc(CN2CC[C@@H](Oc3ncccc3C)C2)ccc1C#N ZINC001238773334 1100525636 /nfs/dbraw/zinc/52/56/36/1100525636.db2.gz VLMHMAIJLHAZCA-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191837668 1100531991 /nfs/dbraw/zinc/53/19/91/1100531991.db2.gz BFVGKDMSTGITSM-YPNIWSFNSA-N 0 3 324.468 3.426 20 30 DGEDHN CCCCCCCCCCS(=O)(=O)N1CCCN[C@@H](C)C1 ZINC001239114310 1100588911 /nfs/dbraw/zinc/58/89/11/1100588911.db2.gz DKABIBXJHCDXOI-INIZCTEOSA-N 0 3 318.527 3.141 20 30 DGEDHN C=CCCC1(C(=O)N2CC[C@@H](N(C)CCOCCCC)C2)CC1 ZINC001192217182 1100591014 /nfs/dbraw/zinc/59/10/14/1100591014.db2.gz CVIKZEKNTUFLCY-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCCCCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001239231209 1100606681 /nfs/dbraw/zinc/60/66/81/1100606681.db2.gz JYSAUMXORCZOSA-GOSISDBHSA-N 0 3 317.477 3.361 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC001239291566 1100623133 /nfs/dbraw/zinc/62/31/33/1100623133.db2.gz OWIJXSUSWXOJSI-GJZGRUSLSA-N 0 3 315.461 3.347 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001192578044 1100638034 /nfs/dbraw/zinc/63/80/34/1100638034.db2.gz LOKKNUWHEOVWMR-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN CCCCCCCCNC(=S)Nc1cnc2c(c1)CNCC2 ZINC001239341272 1100638573 /nfs/dbraw/zinc/63/85/73/1100638573.db2.gz KMGDKKAIJPNXSR-UHFFFAOYSA-N 0 3 320.506 3.374 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001192687940 1100650754 /nfs/dbraw/zinc/65/07/54/1100650754.db2.gz MRIIZSYRLWFDCF-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192688775 1100651885 /nfs/dbraw/zinc/65/18/85/1100651885.db2.gz ZTWSAKLXGIOLHQ-MSOLQXFVSA-N 0 3 324.509 3.328 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110459737 1100747055 /nfs/dbraw/zinc/74/70/55/1100747055.db2.gz ZERXQFSOIUHTKM-QRVBRYPASA-N 0 3 310.441 3.102 20 30 DGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)[C@@H]1C ZINC001193608053 1100771132 /nfs/dbraw/zinc/77/11/32/1100771132.db2.gz XCNYZVFPCGQHFC-IXDOHACOSA-N 0 3 313.445 3.442 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001193713212 1100799143 /nfs/dbraw/zinc/79/91/43/1100799143.db2.gz KAJDDFAWWMQUAB-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001194335753 1100924771 /nfs/dbraw/zinc/92/47/71/1100924771.db2.gz BPNSHHCTXXTAJZ-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN Cc1cc(F)cc(-c2cccc(CN3CCN(C)CC3)c2)c1C#N ZINC001240298000 1100930587 /nfs/dbraw/zinc/93/05/87/1100930587.db2.gz DQFBZHNZXGGPMP-UHFFFAOYSA-N 0 3 323.415 3.420 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ncoc2C)CC1 ZINC001195063248 1101061308 /nfs/dbraw/zinc/06/13/08/1101061308.db2.gz LNVWPOXZOWIXLQ-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2cc(C)cc(C)c2)CC1 ZINC001195192413 1101088172 /nfs/dbraw/zinc/08/81/72/1101088172.db2.gz YJUVUKNOBMLAOS-UHFFFAOYSA-N 0 3 300.446 3.304 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cscn2)CC1 ZINC001195209999 1101098611 /nfs/dbraw/zinc/09/86/11/1101098611.db2.gz KMUJVOMNPQRAHY-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2ccc(C)cc2C)CC1 ZINC001195226936 1101103599 /nfs/dbraw/zinc/10/35/99/1101103599.db2.gz YTZYZXGLXCECFJ-UHFFFAOYSA-N 0 3 300.446 3.304 20 30 DGEDHN N#CC1CCC(CN2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 ZINC001195252039 1101106672 /nfs/dbraw/zinc/10/66/72/1101106672.db2.gz ZXVVQHAJRDZHHG-ABHNRTSZSA-N 0 3 317.477 3.087 20 30 DGEDHN C#CCCCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001195675636 1101172406 /nfs/dbraw/zinc/17/24/06/1101172406.db2.gz WYADRUFPAOIAHV-LJQANCHMSA-N 0 3 310.441 3.012 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2ccc(C)cc2C)CC1 ZINC001195674414 1101173161 /nfs/dbraw/zinc/17/31/61/1101173161.db2.gz DYUNCIJLKOLLGW-UHFFFAOYSA-N 0 3 312.457 3.141 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195774810 1101198650 /nfs/dbraw/zinc/19/86/50/1101198650.db2.gz CDLVLHHNGQXLIX-SFHVURJKSA-N 0 3 312.457 3.250 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001195785363 1101201753 /nfs/dbraw/zinc/20/17/53/1101201753.db2.gz JUDIAINIHSKRKJ-LJQANCHMSA-N 0 3 324.468 3.258 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2c(C)noc2CCC)CC1 ZINC001195791800 1101202257 /nfs/dbraw/zinc/20/22/57/1101202257.db2.gz LEUQPRUYOMNVAW-UHFFFAOYSA-N 0 3 319.449 3.050 20 30 DGEDHN C#CCC1(C(=O)N2CCCN([C@H](C)c3ccccc3)CC2)CCC1 ZINC001196108212 1101243322 /nfs/dbraw/zinc/24/33/22/1101243322.db2.gz ZTYHXNOIOMIGBP-GOSISDBHSA-N 0 3 324.468 3.476 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC001196268405 1101273677 /nfs/dbraw/zinc/27/36/77/1101273677.db2.gz HOTHONAMVPRFJG-HYXAFXHYSA-N 0 3 316.420 3.339 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001196395537 1101297467 /nfs/dbraw/zinc/29/74/67/1101297467.db2.gz STRMTNQGXMFVIR-UHFFFAOYSA-N 0 3 320.481 3.090 20 30 DGEDHN Cc1cccc(NC(=S)N2CCC3SC(=O)C=C3C2)c1C ZINC001196397790 1101299327 /nfs/dbraw/zinc/29/93/27/1101299327.db2.gz LPOOXXCZZBJXFC-AWEZNQCLSA-N 0 3 318.467 3.274 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001273720976 1101307330 /nfs/dbraw/zinc/30/73/30/1101307330.db2.gz JLXVHSPZDOPEGL-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCCCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196984965 1101450400 /nfs/dbraw/zinc/45/04/00/1101450400.db2.gz YSWAYRXFBBIQEH-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN Cc1cnc(C2=CCN(Cc3ccccc3)CC2)c(/C=N/O)c1 ZINC001241502688 1101516597 /nfs/dbraw/zinc/51/65/97/1101516597.db2.gz SETGXJIGNDEHBI-FYJGNVAPSA-N 0 3 307.397 3.487 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ncccc2F)CC1 ZINC001197545772 1101593148 /nfs/dbraw/zinc/59/31/48/1101593148.db2.gz QHGPLFUQUZNTOI-UHFFFAOYSA-N 0 3 319.424 3.115 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3cc(F)cc(C#N)c3)c2)CC1 ZINC001241657275 1101613852 /nfs/dbraw/zinc/61/38/52/1101613852.db2.gz HHEDGHBIDAAGLA-UHFFFAOYSA-N 0 3 311.360 3.232 20 30 DGEDHN OC1(C2(CNCC#Cc3ccccc3Cl)CCC2)CCC1 ZINC001197683112 1101641103 /nfs/dbraw/zinc/64/11/03/1101641103.db2.gz SAXPKOPEBZINGI-UHFFFAOYSA-N 0 3 303.833 3.366 20 30 DGEDHN C[C@H]1Cc2n[nH]cc2CN(Cc2ccccc2C(C)(C)C#N)C1 ZINC001197786044 1101666259 /nfs/dbraw/zinc/66/62/59/1101666259.db2.gz MXFLVRVAKAALIF-AWEZNQCLSA-N 0 3 308.429 3.405 20 30 DGEDHN CCN1CCN(c2ccc(-c3c(C)ccnc3C#N)cc2)CC1 ZINC001241745075 1101677023 /nfs/dbraw/zinc/67/70/23/1101677023.db2.gz JPYLZEZGUADITK-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@@H](C3CC3)C[C@H]2C2CC2)c1C#N ZINC001198279228 1101800912 /nfs/dbraw/zinc/80/09/12/1101800912.db2.gz QGWIQGDODUREGZ-LPHOPBHVSA-N 0 3 324.424 3.355 20 30 DGEDHN C=CCC[C@@H]1CCCN1Cc1csc(-c2cnn(C)c2)n1 ZINC001198406061 1101845915 /nfs/dbraw/zinc/84/59/15/1101845915.db2.gz FDZPAVLAZWXYQH-OAHLLOKOSA-N 0 3 302.447 3.474 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CC(C)(C)C)c1ccccc1OC ZINC001198529489 1101895080 /nfs/dbraw/zinc/89/50/80/1101895080.db2.gz FZAIHQMTJCEBFD-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@@H](C)CC)c1ccccc1OC ZINC001198541985 1101912638 /nfs/dbraw/zinc/91/26/38/1101912638.db2.gz MAUSXGRDICYUSV-HOCLYGCPSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@@H](C)CC)c1ccccc1OC ZINC001198541984 1101912808 /nfs/dbraw/zinc/91/28/08/1101912808.db2.gz MAUSXGRDICYUSV-GOEBONIOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)CCC=C)c1ccccc1OC ZINC001198606999 1101924811 /nfs/dbraw/zinc/92/48/11/1101924811.db2.gz XLSYFVLUQBDFNS-QGZVFWFLSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1OC ZINC001198667555 1101952301 /nfs/dbraw/zinc/95/23/01/1101952301.db2.gz IOXKZPLXPKPOJY-HOTGVXAUSA-N 0 3 316.445 3.064 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)[C@H](F)CC)c1ccccc1OC ZINC001198834840 1101990038 /nfs/dbraw/zinc/99/00/38/1101990038.db2.gz OUILQEMAYNDLFT-HZPDHXFCSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C1(C)CCC1)c1ccccc1OC ZINC001198834881 1101991139 /nfs/dbraw/zinc/99/11/39/1101991139.db2.gz QACBIDUNGKUBAD-MRXNPFEDSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1OC ZINC001198842246 1102011745 /nfs/dbraw/zinc/01/17/45/1102011745.db2.gz FIVWACHBPZSGKN-DJIMGWMZSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1OC ZINC001198842245 1102012273 /nfs/dbraw/zinc/01/22/73/1102012273.db2.gz FIVWACHBPZSGKN-BHYGNILZSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198885619 1102022278 /nfs/dbraw/zinc/02/22/78/1102022278.db2.gz MPOMSVZNILCMIJ-QAPCUYQASA-N 0 3 304.434 3.064 20 30 DGEDHN N#Cc1ccc(NCCNCc2ccc(Cl)cc2Cl)nc1 ZINC001199160265 1102075274 /nfs/dbraw/zinc/07/52/74/1102075274.db2.gz AVJXDOKLCGINPE-UHFFFAOYSA-N 0 3 321.211 3.462 20 30 DGEDHN C=CCCC(=O)N1CCC(NCc2cc(O)ccc2Cl)CC1 ZINC001199726320 1102195221 /nfs/dbraw/zinc/19/52/21/1102195221.db2.gz WPFRHPLSUDQSPL-UHFFFAOYSA-N 0 3 322.836 3.092 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001273814506 1102316653 /nfs/dbraw/zinc/31/66/53/1102316653.db2.gz OOCGTVWLUBYUSU-PXNSSMCTSA-N 0 3 324.468 3.462 20 30 DGEDHN CC(C)=CCC[C@@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC001201491708 1102612097 /nfs/dbraw/zinc/61/20/97/1102612097.db2.gz VEAXRTBFVLQEBZ-QGZVFWFLSA-N 0 3 312.461 3.458 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001202053504 1102801749 /nfs/dbraw/zinc/80/17/49/1102801749.db2.gz DTHGZHHFWXLWBU-LZYBPNLTSA-N 0 3 323.440 3.161 20 30 DGEDHN Cc1cc(CC#N)ccc1-c1cccc(N2CCN(C)CC2)c1 ZINC001243671442 1102906747 /nfs/dbraw/zinc/90/67/47/1102906747.db2.gz PCRDQDSFPPCMDZ-UHFFFAOYSA-N 0 3 305.425 3.480 20 30 DGEDHN CC(C)N1CCN(c2ccc(C3=CC[C@@H](C#N)CC3)cn2)CC1 ZINC001243798531 1102983228 /nfs/dbraw/zinc/98/32/28/1102983228.db2.gz OVAZLZDDMPELDS-MRXNPFEDSA-N 0 3 310.445 3.319 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C=C)CCCCC1)C2 ZINC001111135413 1103052259 /nfs/dbraw/zinc/05/22/59/1103052259.db2.gz OSUMTPNKPFNQKP-KURKYZTESA-N 0 3 314.473 3.258 20 30 DGEDHN C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC001325563183 1103069662 /nfs/dbraw/zinc/06/96/62/1103069662.db2.gz DIXPIYNAPJLSOK-BASYENTBSA-N 0 3 305.466 3.226 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001488673644 1103102630 /nfs/dbraw/zinc/10/26/30/1103102630.db2.gz DXDKMTKUWUBLNC-HKUYNNGSSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001488671276 1103102921 /nfs/dbraw/zinc/10/29/21/1103102921.db2.gz OUZHMSUYPIMBNR-LSDHHAIUSA-N 0 3 304.409 3.038 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001325703483 1103105246 /nfs/dbraw/zinc/10/52/46/1103105246.db2.gz YBNBTUUAHCZMJV-PKOBYXMFSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001325703482 1103105438 /nfs/dbraw/zinc/10/54/38/1103105438.db2.gz YBNBTUUAHCZMJV-MJGOQNOKSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001488683554 1103106383 /nfs/dbraw/zinc/10/63/83/1103106383.db2.gz IVVLCXYMTFRTPO-GBESFXJTSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@](C)(CC)CCCCC)C[C@@H]2C1 ZINC001325778786 1103123911 /nfs/dbraw/zinc/12/39/11/1103123911.db2.gz MHMQSFIFNSHADR-ZIFCJYIRSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@@H](F)CC ZINC001325894450 1103153177 /nfs/dbraw/zinc/15/31/77/1103153177.db2.gz BBAVASLHAGSEFQ-KSZLIROESA-N 0 3 322.468 3.384 20 30 DGEDHN Cc1ccccc1[C@@H](CO)NC1CC(C#N)(c2ccccc2)C1 ZINC001326033543 1103188944 /nfs/dbraw/zinc/18/89/44/1103188944.db2.gz YFYCKOLRESJFPE-SKINQDTJSA-N 0 3 306.409 3.242 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC ZINC001111315703 1103206717 /nfs/dbraw/zinc/20/67/17/1103206717.db2.gz JCWCMXWYTCHYDP-KURKYZTESA-N 0 3 324.509 3.495 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ccoc1 ZINC001488988602 1103235494 /nfs/dbraw/zinc/23/54/94/1103235494.db2.gz RPVSSLLXJLHGJP-DOMZBBRYSA-N 0 3 310.825 3.253 20 30 DGEDHN COc1cc(C)c(CN2CCC3SC(=O)C=C3C2)c(C)c1C ZINC001138724647 1103279644 /nfs/dbraw/zinc/27/96/44/1103279644.db2.gz GNZHIYBUNPAGBP-QGZVFWFLSA-N 0 3 317.454 3.395 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001326418479 1103308448 /nfs/dbraw/zinc/30/84/48/1103308448.db2.gz JFKLGFPRNKGYII-GFCCVEGCSA-N 0 3 322.827 3.249 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC1(C)C ZINC001326458746 1103323671 /nfs/dbraw/zinc/32/36/71/1103323671.db2.gz SAZAYVXIWHSLJJ-SFHVURJKSA-N 0 3 312.457 3.194 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001326458532 1103325101 /nfs/dbraw/zinc/32/51/01/1103325101.db2.gz PKLLAWYJDRWNLR-GJYPPUQNSA-N 0 3 312.457 3.357 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114726744 1103410678 /nfs/dbraw/zinc/41/06/78/1103410678.db2.gz PVZDOVVESLVCRI-CIWSELPYSA-N 0 3 324.468 3.349 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2c(C)nsc2C)CCC1 ZINC001326830195 1103455772 /nfs/dbraw/zinc/45/57/72/1103455772.db2.gz GNRRDMGUUMUDFW-UHFFFAOYSA-N 0 3 321.490 3.245 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3ccccc3cc2F)CCC1 ZINC001326856495 1103462603 /nfs/dbraw/zinc/46/26/03/1103462603.db2.gz RGJLUJPXWCAHRB-UHFFFAOYSA-N 0 3 324.399 3.244 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cnccc2C)CCC1 ZINC001326877842 1103468151 /nfs/dbraw/zinc/46/81/51/1103468151.db2.gz NAONLEQSBVQCNE-GOSISDBHSA-N 0 3 315.461 3.121 20 30 DGEDHN Cc1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc1C#N ZINC001244479932 1103470833 /nfs/dbraw/zinc/47/08/33/1103470833.db2.gz ITWVKMSZNPBTGU-UHFFFAOYSA-N 0 3 320.440 3.459 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001490222713 1103514358 /nfs/dbraw/zinc/51/43/58/1103514358.db2.gz VKAZCJBDJGVJEM-MOPGFXCFSA-N 0 3 312.457 3.032 20 30 DGEDHN CC(C)C(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001490292548 1103543174 /nfs/dbraw/zinc/54/31/74/1103543174.db2.gz UBIXCLRKBXLRSO-HKUYNNGSSA-N 0 3 312.457 3.053 20 30 DGEDHN CC(C)C(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001490292553 1103543600 /nfs/dbraw/zinc/54/36/00/1103543600.db2.gz UBIXCLRKBXLRSO-IEBWSBKVSA-N 0 3 312.457 3.053 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001327148750 1103554492 /nfs/dbraw/zinc/55/44/92/1103554492.db2.gz VHPURAWMDWPZKU-APWZRJJASA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCCC(=O)N1CCC(CC)(NCc2coc(C)n2)CC1 ZINC001327474978 1103654492 /nfs/dbraw/zinc/65/44/92/1103654492.db2.gz RTDUTWSATCFUMF-UHFFFAOYSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1CC=CC1 ZINC001327507277 1103664953 /nfs/dbraw/zinc/66/49/53/1103664953.db2.gz JNKRZHMDHPNWHI-HXUWFJFHSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001327514186 1103669389 /nfs/dbraw/zinc/66/93/89/1103669389.db2.gz SQVPCTGMSYGMRF-SFHVURJKSA-N 0 3 312.457 3.152 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001327515100 1103669443 /nfs/dbraw/zinc/66/94/43/1103669443.db2.gz YTOVOFMMRKHSFV-FQEVSTJZSA-N 0 3 324.468 3.133 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001490699386 1103710549 /nfs/dbraw/zinc/71/05/49/1103710549.db2.gz MWLNSANIFPTGQX-YLJYHZDGSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cccc1Cl)C2 ZINC001095967087 1103715174 /nfs/dbraw/zinc/71/51/74/1103715174.db2.gz CKUWZZOVTYNTMJ-KBMXLJTQSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccs1)C2 ZINC001095999932 1103726415 /nfs/dbraw/zinc/72/64/15/1103726415.db2.gz SOAXJZSVHNREFQ-KBXIAJHMSA-N 0 3 304.459 3.149 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnc3c1)C2 ZINC001096197965 1103783242 /nfs/dbraw/zinc/78/32/42/1103783242.db2.gz FWRJOVCOJFMDIA-NEWSRXKRSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1OC)C2 ZINC001096398267 1103819066 /nfs/dbraw/zinc/81/90/66/1103819066.db2.gz BHZRGGTULVFWDA-RDBSUJKOSA-N 0 3 320.458 3.058 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C3CCCCC3)CC1)C2 ZINC001096437197 1103834936 /nfs/dbraw/zinc/83/49/36/1103834936.db2.gz ZRHYFCLEPFDJHH-SQNIBIBYSA-N 0 3 314.473 3.092 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1ccccc1)C2 ZINC001096507573 1103853615 /nfs/dbraw/zinc/85/36/15/1103853615.db2.gz FEWUAJPKEHCVSD-SQNIBIBYSA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114336853 1103861649 /nfs/dbraw/zinc/86/16/49/1103861649.db2.gz WXKIZFGVSLYGDN-WDNDVIMCSA-N 0 3 324.877 3.073 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001328241669 1103889260 /nfs/dbraw/zinc/88/92/60/1103889260.db2.gz USBKDULDZNHJGT-CQOFWLJFSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001490799202 1103895828 /nfs/dbraw/zinc/89/58/28/1103895828.db2.gz JRJDNEOXGZQMLW-MELADBBJSA-N 0 3 314.420 3.308 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC2(C=C)CCCCC2)C[C@@H]1C ZINC001328280281 1103900773 /nfs/dbraw/zinc/90/07/73/1103900773.db2.gz SLWNIQCYRZYAPJ-IRXDYDNUSA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001328441637 1103947659 /nfs/dbraw/zinc/94/76/59/1103947659.db2.gz ZEXKHYUQFLPPIR-KKUMJFAQSA-N 0 3 300.874 3.440 20 30 DGEDHN CN(C)c1ccnc(-c2ccc(OC3CCOCC3)c(C#N)c2)c1 ZINC001245304879 1103974099 /nfs/dbraw/zinc/97/40/99/1103974099.db2.gz XGYBRVHUBXKINT-UHFFFAOYSA-N 0 3 323.396 3.244 20 30 DGEDHN CN1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1c1ccccc1 ZINC001137119505 1103993237 /nfs/dbraw/zinc/99/32/37/1103993237.db2.gz RQUUATXTEJLCBV-HXUWFJFHSA-N 0 3 321.424 3.078 20 30 DGEDHN CS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001328619036 1103999665 /nfs/dbraw/zinc/99/96/65/1103999665.db2.gz CQYVCILXDHFPJX-KGLIPLIRSA-N 0 3 305.403 3.182 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC001328686344 1104020496 /nfs/dbraw/zinc/02/04/96/1104020496.db2.gz HNAISDKXZGEIMS-GUDVDZBRSA-N 0 3 324.468 3.208 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001328686676 1104021599 /nfs/dbraw/zinc/02/15/99/1104021599.db2.gz LZGOXBWFVLGWNM-LDQXTDLNSA-N 0 3 322.452 3.128 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H](C)CC ZINC001328693633 1104023600 /nfs/dbraw/zinc/02/36/00/1104023600.db2.gz KLROWJOWUCHLEH-XFQXTVEOSA-N 0 3 312.457 3.208 20 30 DGEDHN N#Cc1cc2c(cccc2C2=CC[C@H](N3CCOCC3)CC2)[nH]1 ZINC001245422975 1104044036 /nfs/dbraw/zinc/04/40/36/1104044036.db2.gz FHYAQGHPSNGERP-INIZCTEOSA-N 0 3 307.397 3.308 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001202616688 1104083587 /nfs/dbraw/zinc/08/35/87/1104083587.db2.gz IXAXLJCDJAELJV-VXGBXAGGSA-N 0 3 317.260 3.289 20 30 DGEDHN Cc1ccccc1OCCN1CCc2c(CC#N)cccc2C1 ZINC001328992088 1104117761 /nfs/dbraw/zinc/11/77/61/1104117761.db2.gz GCEIDIMXUUKXCR-UHFFFAOYSA-N 0 3 306.409 3.498 20 30 DGEDHN C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](C)NCc1ccc(C#N)s1 ZINC001328996655 1104119302 /nfs/dbraw/zinc/11/93/02/1104119302.db2.gz QIJSLGRAIQEVSQ-GFUJYOBASA-N 0 3 319.474 3.205 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1)CC ZINC001329011648 1104123274 /nfs/dbraw/zinc/12/32/74/1104123274.db2.gz BTTKWBNZZXMCMI-CHWSQXEVSA-N 0 3 319.474 3.349 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001329012749 1104124426 /nfs/dbraw/zinc/12/44/26/1104124426.db2.gz GOTQTDOQUKFGSR-UONOGXRCSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC2CCC2)C12CCC2 ZINC001202703969 1104124979 /nfs/dbraw/zinc/12/49/79/1104124979.db2.gz MXZQNZLMJYRLJF-LSDHHAIUSA-N 0 3 310.869 3.336 20 30 DGEDHN Cc1coc(C)c1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001329029133 1104131520 /nfs/dbraw/zinc/13/15/20/1104131520.db2.gz ZTCMPRCOVJDHFO-CVEARBPZSA-N 0 3 324.424 3.045 20 30 DGEDHN Cc1ccc(C#N)c(-c2ccc(N3CCN(C(C)C)CC3)nc2)c1 ZINC001245603151 1104147115 /nfs/dbraw/zinc/14/71/15/1104147115.db2.gz JNZGHQPLTSGILL-UHFFFAOYSA-N 0 3 320.440 3.459 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001329346554 1104226997 /nfs/dbraw/zinc/22/69/97/1104226997.db2.gz UEYNAALKTKSSKE-ZIAGYGMSSA-N 0 3 300.874 3.105 20 30 DGEDHN Cc1cccc(C(=O)NC[C@H](C)N(C)Cc2cccc(C#N)c2)c1 ZINC001329374920 1104236026 /nfs/dbraw/zinc/23/60/26/1104236026.db2.gz INRXRUYSPXOBJI-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN CCc1ccccc1CN(C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001329433879 1104264387 /nfs/dbraw/zinc/26/43/87/1104264387.db2.gz YWBFTFPYRBMLBX-MRXNPFEDSA-N 0 3 314.473 3.235 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccc(F)cc2)cc1 ZINC001329500917 1104286773 /nfs/dbraw/zinc/28/67/73/1104286773.db2.gz NHIGDKKICGGWSK-OAHLLOKOSA-N 0 3 324.399 3.057 20 30 DGEDHN CN(C)Cc1cccc(NC(=S)Nc2ccc(C#N)cc2)c1 ZINC001245914803 1104305461 /nfs/dbraw/zinc/30/54/61/1104305461.db2.gz OTZUPWKLFPBURX-UHFFFAOYSA-N 0 3 310.426 3.429 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc(Cl)c1Cl ZINC001329599520 1104337994 /nfs/dbraw/zinc/33/79/94/1104337994.db2.gz DGBMVYIAUTWOBV-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(Cl)c1C ZINC001274412115 1104375172 /nfs/dbraw/zinc/37/51/72/1104375172.db2.gz AIBCKURUMSVNKD-IAGOWNOFSA-N 0 3 318.848 3.400 20 30 DGEDHN CCCCCCCCC[C@H](CCC)N[C@@H](CN)C(=O)OC ZINC001246084207 1104379135 /nfs/dbraw/zinc/37/91/35/1104379135.db2.gz PAVGHJZRRFCAGN-HOTGVXAUSA-N 0 3 300.487 3.386 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001274425137 1104381135 /nfs/dbraw/zinc/38/11/35/1104381135.db2.gz KJTOIVSQIUNLAL-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccccc2)CCCCC1 ZINC001329830190 1104396298 /nfs/dbraw/zinc/39/62/98/1104396298.db2.gz XBVAWZRGCOCFBQ-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001274746845 1104477244 /nfs/dbraw/zinc/47/72/44/1104477244.db2.gz DQGSYZOVNRIBDJ-CQSZACIVSA-N 0 3 320.864 3.292 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001330088295 1104477708 /nfs/dbraw/zinc/47/77/08/1104477708.db2.gz KVJJZFHZYLJFLT-OSJSJHBBSA-N 0 3 312.457 3.411 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCc2ccccc2)C(C)(C)C1 ZINC001330231560 1104516234 /nfs/dbraw/zinc/51/62/34/1104516234.db2.gz ZAGAKIMBGZLZOS-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](F)CC2CCCCC2)C(C)(C)C1 ZINC001330244879 1104518781 /nfs/dbraw/zinc/51/87/81/1104518781.db2.gz ONFHAXCNAHJXFI-SJORKVTESA-N 0 3 322.468 3.145 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(CC)cc2)C(C)(C)C1 ZINC001330245877 1104520866 /nfs/dbraw/zinc/52/08/66/1104520866.db2.gz YXPSUOJTRQYBNL-SFHVURJKSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001330607547 1104591590 /nfs/dbraw/zinc/59/15/90/1104591590.db2.gz ARHXDEZOLYIVSA-RYRKJORJSA-N 0 3 318.848 3.384 20 30 DGEDHN CCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)n(C)c1 ZINC001275127091 1104638372 /nfs/dbraw/zinc/63/83/72/1104638372.db2.gz UTRVLTQGVTZDAC-HDICACEKSA-N 0 3 314.477 3.126 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001275167825 1104662971 /nfs/dbraw/zinc/66/29/71/1104662971.db2.gz HYQZASQNMDWRRS-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001275175406 1104667394 /nfs/dbraw/zinc/66/73/94/1104667394.db2.gz IMLFZBHZMCHLAQ-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CC(C)(C)c3ccccc3)CCC[C@@H]12 ZINC001278467765 1104697210 /nfs/dbraw/zinc/69/72/10/1104697210.db2.gz UVNHTEWYJURTPQ-NQIIRXRSSA-N 0 3 324.468 3.101 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)CC1=CCCCC1 ZINC001275364755 1104736791 /nfs/dbraw/zinc/73/67/91/1104736791.db2.gz GNDTWNQVBSUCNF-QZTJIDSGSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001275501658 1104781402 /nfs/dbraw/zinc/78/14/02/1104781402.db2.gz HVURRWOJOQIJLS-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)CCc1c(F)cccc1F ZINC001275567373 1104811992 /nfs/dbraw/zinc/81/19/92/1104811992.db2.gz SYQBALNTGBFJHG-CQSZACIVSA-N 0 3 324.415 3.300 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2cccc(C)c2)cc1 ZINC001275613140 1104832569 /nfs/dbraw/zinc/83/25/69/1104832569.db2.gz CSGFSDAEUYKZIV-KRWDZBQOSA-N 0 3 320.436 3.227 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNCc1cnoc1C ZINC001275696220 1104867874 /nfs/dbraw/zinc/86/78/74/1104867874.db2.gz LBYINEVFFCRAPU-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN CCc1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)cc1 ZINC001247305060 1104868780 /nfs/dbraw/zinc/86/87/80/1104868780.db2.gz IBMUPARJIVSHBM-AWEZNQCLSA-N 0 3 318.467 3.220 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(C)c1 ZINC001275905458 1104949915 /nfs/dbraw/zinc/94/99/15/1104949915.db2.gz ZTYAIUDTEGAAIO-QGZVFWFLSA-N 0 3 300.446 3.125 20 30 DGEDHN CCCCCCCc1ccc(-c2noc([C@@H](N)CN)n2)cc1 ZINC001247693439 1104957729 /nfs/dbraw/zinc/95/77/29/1104957729.db2.gz ZXPRXLOPRAZTQX-HNNXBMFYSA-N 0 3 302.422 3.208 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001275946962 1104965616 /nfs/dbraw/zinc/96/56/16/1104965616.db2.gz UJWMAWIZEZMSLQ-AEFFLSMTSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001275970560 1104971995 /nfs/dbraw/zinc/97/19/95/1104971995.db2.gz POIAORIEHCMWGW-HUUCEWRRSA-N 0 3 304.434 3.100 20 30 DGEDHN C[C@@H](CNC(=O)CCC1(C)CC1)N(C)Cc1cccc(C#N)c1 ZINC001275969349 1104972914 /nfs/dbraw/zinc/97/29/14/1104972914.db2.gz BFTCMIZQFJUIKB-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1oc2c(cccc2C)c1C ZINC001276013195 1104987847 /nfs/dbraw/zinc/98/78/47/1104987847.db2.gz WGPJQIYVEZKFDE-ZDUSSCGKSA-N 0 3 300.402 3.286 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1nccn1CC ZINC001276035816 1104993086 /nfs/dbraw/zinc/99/30/86/1104993086.db2.gz LNSHROVPRCWZRV-HDICACEKSA-N 0 3 316.493 3.298 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3occc3c1)C2 ZINC001095451283 1105012854 /nfs/dbraw/zinc/01/28/54/1105012854.db2.gz VRXLASREZJXKDE-IKGGRYGDSA-N 0 3 310.397 3.344 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccc3)CCC1)C2 ZINC001095719543 1105100791 /nfs/dbraw/zinc/10/07/91/1105100791.db2.gz LVWIWSDPWQKMJB-QYZOEREBSA-N 0 3 324.468 3.406 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001110898458 1105105668 /nfs/dbraw/zinc/10/56/68/1105105668.db2.gz GMTGCWORKDYXNP-BMFZPTHFSA-N 0 3 318.486 3.224 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC001278505868 1105111871 /nfs/dbraw/zinc/11/18/71/1105111871.db2.gz LZEQWBUUPSSPHO-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CCC)CCC)C2 ZINC001110957743 1105126393 /nfs/dbraw/zinc/12/63/93/1105126393.db2.gz AABMERVQUJRFDS-KURKYZTESA-N 0 3 322.493 3.127 20 30 DGEDHN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2CC)C1 ZINC001248753039 1105156136 /nfs/dbraw/zinc/15/61/36/1105156136.db2.gz NATPSYZPCWIHSA-GOSISDBHSA-N 0 3 314.429 3.286 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1csc(C)c1)C2 ZINC001248803100 1105164985 /nfs/dbraw/zinc/16/49/85/1105164985.db2.gz GCSPVSOUEZITIA-SJORKVTESA-N 0 3 307.459 3.383 20 30 DGEDHN CN(CCc1ccc(F)cc1)Cc1cnn2ccc(C#N)cc12 ZINC001249107057 1105226480 /nfs/dbraw/zinc/22/64/80/1105226480.db2.gz PXWICXPLFCRRDS-UHFFFAOYSA-N 0 3 308.360 3.020 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc(Cl)c3F)no2)CCCN1 ZINC001249352236 1105272232 /nfs/dbraw/zinc/27/22/32/1105272232.db2.gz ZEUALKZSNJQHFN-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN CCCCCCCN(C)Cc1cnc(N)nc1C(F)(F)F ZINC001249394029 1105278498 /nfs/dbraw/zinc/27/84/98/1105278498.db2.gz ABQCZAILXOZAIP-UHFFFAOYSA-N 0 3 304.360 3.480 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1F)C2 ZINC001097040139 1105333218 /nfs/dbraw/zinc/33/32/18/1105333218.db2.gz RWICAYVRUMXKEM-BNOWGMLFSA-N 0 3 308.422 3.189 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccc(F)cc1 ZINC001249622872 1105335154 /nfs/dbraw/zinc/33/51/54/1105335154.db2.gz POWMQCMFKOWEQT-BBRMVZONSA-N 0 3 321.465 3.001 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(C3CC3)c1)C2 ZINC001097576447 1105409633 /nfs/dbraw/zinc/40/96/33/1105409633.db2.gz SRTYOFHZAVEYTR-AQNXPRMDSA-N 0 3 324.468 3.404 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001097714459 1105433302 /nfs/dbraw/zinc/43/33/02/1105433302.db2.gz MXMYCCIECOMQRY-YJNKXOJESA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3c1)C2 ZINC001097752761 1105441339 /nfs/dbraw/zinc/44/13/39/1105441339.db2.gz VXYCMYHMXCYNLH-NXHRZFHOSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)ccc(C)c1F)C2 ZINC001097784491 1105443890 /nfs/dbraw/zinc/44/38/90/1105443890.db2.gz JYAAEBXFWVOTPO-YUELXQCFSA-N 0 3 320.383 3.184 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)C2 ZINC001097829863 1105448629 /nfs/dbraw/zinc/44/86/29/1105448629.db2.gz WUCZCIDPSCILOL-YJNKXOJESA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccsc1)C2 ZINC001097832512 1105453514 /nfs/dbraw/zinc/45/35/14/1105453514.db2.gz RDHCXSBJZAIYRM-MIGQKNRLSA-N 0 3 304.459 3.149 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1ccc(-n2ccnn2)cc1 ZINC001137368466 1105501667 /nfs/dbraw/zinc/50/16/67/1105501667.db2.gz UBYHWEUKSMMFNQ-UHFFFAOYSA-N 0 3 304.397 3.456 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)ccn1 ZINC001137417015 1105518106 /nfs/dbraw/zinc/51/81/06/1105518106.db2.gz UUHMWJSSFPRBQD-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(CC)cc1C)C2 ZINC001098223454 1105561638 /nfs/dbraw/zinc/56/16/38/1105561638.db2.gz MCGHTGNYIUPFLB-BMFZPTHFSA-N 0 3 302.418 3.062 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1CC)C2 ZINC001098458519 1105577882 /nfs/dbraw/zinc/57/78/82/1105577882.db2.gz PDGXOTGQDXUFRT-KFWWJZLASA-N 0 3 304.459 3.222 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001098974830 1105621326 /nfs/dbraw/zinc/62/13/26/1105621326.db2.gz AFVIKYDLZVQYGN-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(F)c2F)C1 ZINC001099002831 1105624967 /nfs/dbraw/zinc/62/49/67/1105624967.db2.gz PNGNEHDKBDTEIF-UGSOOPFHSA-N 0 3 320.383 3.125 20 30 DGEDHN CC(C)=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)C ZINC001099065405 1105637682 /nfs/dbraw/zinc/63/76/82/1105637682.db2.gz RZYNLFANNATRLS-QGZVFWFLSA-N 0 3 304.478 3.219 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](OCC)C(C)C ZINC001099111174 1105643432 /nfs/dbraw/zinc/64/34/32/1105643432.db2.gz UFOIYPUKLDBWTJ-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001099126417 1105645799 /nfs/dbraw/zinc/64/57/99/1105645799.db2.gz PCWINYYYQULYJH-QRFRQXIXSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccccc1 ZINC001099125386 1105646038 /nfs/dbraw/zinc/64/60/38/1105646038.db2.gz GIFBOWOMOJMFDH-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001099177980 1105653436 /nfs/dbraw/zinc/65/34/36/1105653436.db2.gz YZQZRBUMMNSVOT-FPOVZHCZSA-N 0 3 322.452 3.172 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001099177231 1105653899 /nfs/dbraw/zinc/65/38/99/1105653899.db2.gz HYETYMSTONVMEG-LPHOPBHVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001251417903 1105657273 /nfs/dbraw/zinc/65/72/73/1105657273.db2.gz QOLBCDOKADEJKJ-MRXNPFEDSA-N 0 3 317.477 3.408 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H]1C(F)(F)F ZINC001099205730 1105657526 /nfs/dbraw/zinc/65/75/26/1105657526.db2.gz RNYDXEZMHNTLHN-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)COCCCCCC ZINC001099320809 1105668846 /nfs/dbraw/zinc/66/88/46/1105668846.db2.gz MLAMXBGHKFHPMQ-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC)C1 ZINC001099418880 1105678102 /nfs/dbraw/zinc/67/81/02/1105678102.db2.gz OFHIONXWEXOHMO-VGWMRTNUSA-N 0 3 310.869 3.098 20 30 DGEDHN CCCCCCCC[C@@H](O)CN[C@H](CO)c1cccc(OC)c1 ZINC001252132932 1105747024 /nfs/dbraw/zinc/74/70/24/1105747024.db2.gz FFSQSSALCJXCTJ-IEBWSBKVSA-N 0 3 323.477 3.430 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CC[C@H](Oc2cnccn2)C1 ZINC001252133151 1105747458 /nfs/dbraw/zinc/74/74/58/1105747458.db2.gz MWZMHBPCXKXERU-SJORKVTESA-N 0 3 321.465 3.041 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001491111324 1105753881 /nfs/dbraw/zinc/75/38/81/1105753881.db2.gz NNQSQNBEVOHIAP-QGZVFWFLSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491119401 1105757707 /nfs/dbraw/zinc/75/77/07/1105757707.db2.gz DUFVVWKCAVBGAK-ZFWWWQNUSA-N 0 3 320.399 3.369 20 30 DGEDHN N#C[C@H]1CCCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252383950 1105775416 /nfs/dbraw/zinc/77/54/16/1105775416.db2.gz ZBTDJWJMNBUBAG-WMZOPIPTSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001278664561 1105777169 /nfs/dbraw/zinc/77/71/69/1105777169.db2.gz ZFHYGUGQVYRSEY-AWEZNQCLSA-N 0 3 318.383 3.123 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC001252600146 1105800180 /nfs/dbraw/zinc/80/01/80/1105800180.db2.gz YAIHMNOCGRJPFX-OAHLLOKOSA-N 0 3 323.383 3.187 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001278674126 1105802092 /nfs/dbraw/zinc/80/20/92/1105802092.db2.gz YWFUSHIVNYFYMF-GOEBONIOSA-N 0 3 314.420 3.216 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CCC(NCc2ocnc2C)CC1 ZINC001491361277 1105814174 /nfs/dbraw/zinc/81/41/74/1105814174.db2.gz NPRSRGJPQLVLJI-QQFBHYJXSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001278677207 1105823768 /nfs/dbraw/zinc/82/37/68/1105823768.db2.gz FOSTUMFTBGDCPE-HXUWFJFHSA-N 0 3 323.440 3.023 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001491452962 1105828650 /nfs/dbraw/zinc/82/86/50/1105828650.db2.gz SYWKKNNJDBJFEJ-OLZOCXBDSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001100794147 1105849219 /nfs/dbraw/zinc/84/92/19/1105849219.db2.gz JBBOJNJNRXSKGZ-XUJLQICISA-N 0 3 300.874 3.440 20 30 DGEDHN C=C[C@H](C(=O)NCC1CC(NCC(=C)Cl)C1)c1ccccc1 ZINC001101016975 1105876470 /nfs/dbraw/zinc/87/64/70/1105876470.db2.gz NTKGGPCAAGNWFK-PREGVCBESA-N 0 3 318.848 3.193 20 30 DGEDHN CCCC[C@H](CC)COC[C@@H](O)CNCc1csc(C#N)c1 ZINC001253027980 1105879185 /nfs/dbraw/zinc/87/91/85/1105879185.db2.gz APVRDPIZBACQOP-HOCLYGCPSA-N 0 3 324.490 3.303 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001278693291 1105879435 /nfs/dbraw/zinc/87/94/35/1105879435.db2.gz HOZXOYBRVLUBSG-OAQYLSRUSA-N 0 3 324.468 3.419 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCCC[C@@H](C)CC)C[C@]2(C)C1 ZINC001101250990 1105903122 /nfs/dbraw/zinc/90/31/22/1105903122.db2.gz WENLBXSJMVISFC-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCC[C@H](C)CCC)C[C@]2(C)C1 ZINC001101250853 1105903896 /nfs/dbraw/zinc/90/38/96/1105903896.db2.gz PLKQYSMCPSGIOO-GGPKGHCWSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001253234901 1105906562 /nfs/dbraw/zinc/90/65/62/1105906562.db2.gz GTWLMKHHJYZBEB-HOTGVXAUSA-N 0 3 309.475 3.148 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCCC[C@H]1C(=O)NCCC ZINC001253239905 1105907174 /nfs/dbraw/zinc/90/71/74/1105907174.db2.gz VQLVUEHIQISTGL-MSOLQXFVSA-N 0 3 324.509 3.255 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCCCCC)C[C@]2(C)C1 ZINC001101321436 1105907947 /nfs/dbraw/zinc/90/79/47/1105907947.db2.gz ATYYTXYCBGWGJT-GGPKGHCWSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001101325419 1105909445 /nfs/dbraw/zinc/90/94/45/1105909445.db2.gz RRUAZKYCGLHUJE-AOIWGVFYSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1cncn1CC1CC1 ZINC001253255119 1105912565 /nfs/dbraw/zinc/91/25/65/1105912565.db2.gz WFHKTMCDJCZMIS-SFHVURJKSA-N 0 3 305.466 3.270 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H]1CCCc2nccnc21 ZINC001253255224 1105912924 /nfs/dbraw/zinc/91/29/24/1105912924.db2.gz HBIYXFOAMQMYNS-RDJZCZTQSA-N 0 3 303.450 3.331 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CN(C[C@H](F)CC)C[C@@]3(C)C2)CCC1 ZINC001101356371 1105913302 /nfs/dbraw/zinc/91/33/02/1105913302.db2.gz SFVCFHIIKPUYLP-NUJGCVRESA-N 0 3 322.468 3.261 20 30 DGEDHN C=C[C@@H](NC[C@@H](O)CCOCc1ccccc1)c1ccccc1 ZINC001253299569 1105921895 /nfs/dbraw/zinc/92/18/95/1105921895.db2.gz BJVMPZZGAXRPRX-VQTJNVASSA-N 0 3 311.425 3.471 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001101727420 1105966180 /nfs/dbraw/zinc/96/61/80/1105966180.db2.gz WGLCJBIRFQEZLP-OWCLPIDISA-N 0 3 316.445 3.045 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001101727420 1105966184 /nfs/dbraw/zinc/96/61/84/1105966184.db2.gz WGLCJBIRFQEZLP-OWCLPIDISA-N 0 3 316.445 3.045 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CN(Cc2ccccc2F)C[C@H]1C ZINC001102010823 1106009903 /nfs/dbraw/zinc/00/99/03/1106009903.db2.gz QEBDGPYTCZQQIP-NVXWUHKLSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC=CCC2)C1 ZINC001102659815 1106091550 /nfs/dbraw/zinc/09/15/50/1106091550.db2.gz XXZNZQBHLGPCNS-FVQBIDKESA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCc2ccoc2)C1 ZINC001102843929 1106111120 /nfs/dbraw/zinc/11/11/20/1106111120.db2.gz MQGRGBYLVXFOFB-CZUORRHYSA-N 0 3 324.852 3.039 20 30 DGEDHN CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)Nc1ccc(F)cc1 ZINC001254649812 1106122442 /nfs/dbraw/zinc/12/24/42/1106122442.db2.gz RFJJUGQGISZDKC-WQVCFCJDSA-N 0 3 303.381 3.071 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cncn2Cc2cccc(Cl)c2)C1 ZINC001254649931 1106122501 /nfs/dbraw/zinc/12/25/01/1106122501.db2.gz WMXAXRNDOKMJIL-CJNGLKHVSA-N 0 3 314.820 3.367 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CCN([C@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC001254660606 1106126794 /nfs/dbraw/zinc/12/67/94/1106126794.db2.gz YVASPIWIDPTCQT-XUWVNRHRSA-N 0 3 319.449 3.010 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001254673960 1106130557 /nfs/dbraw/zinc/13/05/57/1106130557.db2.gz RTONQEVPCCAYHJ-LSDHHAIUSA-N 0 3 322.412 3.165 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001254675751 1106131786 /nfs/dbraw/zinc/13/17/86/1106131786.db2.gz GNLYDEDQHAXVLD-CABCVRRESA-N 0 3 322.412 3.165 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001103040320 1106145117 /nfs/dbraw/zinc/14/51/17/1106145117.db2.gz PWRCQCJWOUSSBG-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C[C@H](COC)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001255019901 1106167726 /nfs/dbraw/zinc/16/77/26/1106167726.db2.gz VOZQTAGAIXVBJY-BXUZGUMPSA-N 0 3 301.308 3.363 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001255152566 1106192239 /nfs/dbraw/zinc/19/22/39/1106192239.db2.gz XOZDRILNCTWKAR-GJZGRUSLSA-N 0 3 321.465 3.448 20 30 DGEDHN CC[C@H](CC#N)NCC1(Cc2ccccc2F)CCOCC1 ZINC001255160034 1106194239 /nfs/dbraw/zinc/19/42/39/1106194239.db2.gz FGTQPVCXZVYYPA-MRXNPFEDSA-N 0 3 304.409 3.447 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2cccc(F)c2F)CC1 ZINC001255159968 1106194305 /nfs/dbraw/zinc/19/43/05/1106194305.db2.gz CYHZKDNKQZBCGT-AWEZNQCLSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)NCC1(Cc2ccccc2OC)CCOCC1 ZINC001255162278 1106195410 /nfs/dbraw/zinc/19/54/10/1106195410.db2.gz MFTHYKOBNNGPJZ-QGZVFWFLSA-N 0 3 316.445 3.316 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001255162547 1106195555 /nfs/dbraw/zinc/19/55/55/1106195555.db2.gz SIGSWGXOXRUVPX-BRWVUGGUSA-N 0 3 317.408 3.149 20 30 DGEDHN Cc1ccc(SC[C@H](C)NC(=N)c2ccc(F)cn2)cc1 ZINC001255752645 1106309459 /nfs/dbraw/zinc/30/94/59/1106309459.db2.gz KQIRZZKWXPKJII-LBPRGKRZSA-N 0 3 303.406 3.415 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN([C@H](C)Cc2ccc(F)cc2)C1 ZINC001255880797 1106337879 /nfs/dbraw/zinc/33/78/79/1106337879.db2.gz WAXNBZYDLJTDCI-PBHICJAKSA-N 0 3 320.408 3.133 20 30 DGEDHN CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256113256 1106370069 /nfs/dbraw/zinc/37/00/69/1106370069.db2.gz KERKPFCVXVEVSD-BBWFWOEESA-N 0 3 304.434 3.223 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)c1ccc(C)o1)C(C)C ZINC001278922011 1106395639 /nfs/dbraw/zinc/39/56/39/1106395639.db2.gz FHUYXFSTQHCIJL-MRXNPFEDSA-N 0 3 306.450 3.436 20 30 DGEDHN C[C@H](Cc1ccccn1)N1CCC(Oc2ccccc2C#N)CC1 ZINC001256422314 1106419065 /nfs/dbraw/zinc/41/90/65/1106419065.db2.gz QAOBUXGKYZFZTJ-MRXNPFEDSA-N 0 3 321.424 3.428 20 30 DGEDHN CCCN(CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256479905 1106428515 /nfs/dbraw/zinc/42/85/15/1106428515.db2.gz KUVSZBSPBLYNHN-LSDHHAIUSA-N 0 3 309.454 3.400 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C#CC(C)(C)C)c1ccccc1CC ZINC001278969562 1106498785 /nfs/dbraw/zinc/49/87/85/1106498785.db2.gz MLYJNUFQABWBJT-LJQANCHMSA-N 0 3 324.468 3.069 20 30 DGEDHN N#CC1CCC(N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC001256968871 1106517366 /nfs/dbraw/zinc/51/73/66/1106517366.db2.gz QJQKXULAQJUCPJ-UHFFFAOYSA-N 0 3 301.409 3.026 20 30 DGEDHN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(C#N)CC1 ZINC001256969772 1106518274 /nfs/dbraw/zinc/51/82/74/1106518274.db2.gz NQCQOBMYOIKGGH-HWOWSKLDSA-N 0 3 321.465 3.400 20 30 DGEDHN CCOC(=O)c1ccc(C[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC001257145936 1106544703 /nfs/dbraw/zinc/54/47/03/1106544703.db2.gz KOUVNRKFQQNCPX-OAHLLOKOSA-N 0 3 314.429 3.468 20 30 DGEDHN CC(C)[C@H]1C[C@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257177462 1106548439 /nfs/dbraw/zinc/54/84/39/1106548439.db2.gz BQXQDBOTBRUJCO-RRFJBIMHSA-N 0 3 309.454 3.302 20 30 DGEDHN CC(C)[C@H]1C[C@@H](N2CC(CC#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257187905 1106550153 /nfs/dbraw/zinc/55/01/53/1106550153.db2.gz XRLKCDMPXVEASL-JKSUJKDBSA-N 0 3 321.465 3.256 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN([C@@H](C)CC)CC2 ZINC001257440162 1106589277 /nfs/dbraw/zinc/58/92/77/1106589277.db2.gz PEPHNADODZDTIH-AWEZNQCLSA-N 0 3 303.450 3.152 20 30 DGEDHN C=C1C[C@@H]2CC(NCc3ccccc3S(C)(=O)=O)C[C@H](C1)C2 ZINC001257888166 1106641042 /nfs/dbraw/zinc/64/10/42/1106641042.db2.gz ZYDMNPFXYLDYQN-FKEKPDDDSA-N 0 3 319.470 3.315 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2COc3ccc(Cl)cc3C2)s1 ZINC001257954590 1106650644 /nfs/dbraw/zinc/65/06/44/1106650644.db2.gz OQEJUBMLNKIAJL-LBPRGKRZSA-N 0 3 304.802 3.366 20 30 DGEDHN CC[C@H](C)[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)N[O-] ZINC001257995962 1106655234 /nfs/dbraw/zinc/65/52/34/1106655234.db2.gz GBSARXPLWRLESV-LYAPFXNSSA-N 0 3 304.434 3.223 20 30 DGEDHN COc1ccc(CC[C@@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001258390341 1106727805 /nfs/dbraw/zinc/72/78/05/1106727805.db2.gz LZDFYLPBUFWSGW-GFCCVEGCSA-N 0 3 317.820 3.470 20 30 DGEDHN N=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001258505486 1106784739 /nfs/dbraw/zinc/78/47/39/1106784739.db2.gz UBKGJWRMCQHAGA-UHFFFAOYSA-N 0 3 314.820 3.109 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001316948675 1106810350 /nfs/dbraw/zinc/81/03/50/1106810350.db2.gz HITCGHJGTYZJRI-JKSUJKDBSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001320057774 1106827302 /nfs/dbraw/zinc/82/73/02/1106827302.db2.gz FINRPFDGZVGERD-CMPLNLGQSA-N 0 3 303.324 3.405 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001317021400 1106910534 /nfs/dbraw/zinc/91/05/34/1106910534.db2.gz ZOJGJENWGWDGSX-LBPRGKRZSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(F)CC1 ZINC001317050588 1106951823 /nfs/dbraw/zinc/95/18/23/1106951823.db2.gz ZOKRRWYANOVBRJ-UCUFBTAOSA-N 0 3 308.441 3.156 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001320319684 1106959374 /nfs/dbraw/zinc/95/93/74/1106959374.db2.gz BFZPHQDOVHFWNL-QGZVFWFLSA-N 0 3 317.429 3.419 20 30 DGEDHN CC1(C)CN(c2cccc(CC#N)n2)CCN1Cc1ccccc1 ZINC001320359496 1106976856 /nfs/dbraw/zinc/97/68/56/1106976856.db2.gz KUMQYMXERQWOAP-UHFFFAOYSA-N 0 3 320.440 3.248 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001317119009 1107013523 /nfs/dbraw/zinc/01/35/23/1107013523.db2.gz FOQANXHTSHADSW-JTDSTZFVSA-N 0 3 318.436 3.473 20 30 DGEDHN CCOC(=O)C1(C#N)CCN([C@H](CC)Cc2ccccc2)CC1 ZINC001258851594 1107025465 /nfs/dbraw/zinc/02/54/65/1107025465.db2.gz IDQZBVJHXRZHEE-QGZVFWFLSA-N 0 3 314.429 3.177 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001317131974 1107033922 /nfs/dbraw/zinc/03/39/22/1107033922.db2.gz VNRXVFPHCUJVAT-FXVWLTTGSA-N 0 3 324.468 3.187 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCCCC(C)C)C1 ZINC001317139471 1107047465 /nfs/dbraw/zinc/04/74/65/1107047465.db2.gz JBKQFBCNQMDEGX-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C[C@H](COC)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC001320591058 1107064234 /nfs/dbraw/zinc/06/42/34/1107064234.db2.gz BNSYDVGCPMPRJW-SMDDNHRTSA-N 0 3 303.431 3.365 20 30 DGEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001317165100 1107067263 /nfs/dbraw/zinc/06/72/63/1107067263.db2.gz GHAJOHGFHLGKLW-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001317175499 1107091670 /nfs/dbraw/zinc/09/16/70/1107091670.db2.gz CRGZITZHZDAGPZ-HOTGVXAUSA-N 0 3 304.434 3.238 20 30 DGEDHN C=CCCC(=O)N(CC)CCNCc1ccc(F)c(Cl)c1 ZINC001320693465 1107107241 /nfs/dbraw/zinc/10/72/41/1107107241.db2.gz HGOXAFLUZNFWPP-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=CCCN(C)C(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001320750789 1107125476 /nfs/dbraw/zinc/12/54/76/1107125476.db2.gz RTEGMIRRXMEYAD-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001317238939 1107164293 /nfs/dbraw/zinc/16/42/93/1107164293.db2.gz ALVLXFZKYNHINX-OAHLLOKOSA-N 0 3 318.461 3.200 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)NCc2cc3ccccc3o2)C1 ZINC001317262858 1107184314 /nfs/dbraw/zinc/18/43/14/1107184314.db2.gz AJWZCQXUEVOHKX-CQSZACIVSA-N 0 3 312.413 3.383 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC001317360920 1107263006 /nfs/dbraw/zinc/26/30/06/1107263006.db2.gz ZXAGAYBHMSHREH-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN CCCCOc1ccccc1CNCCNc1ncccc1C#N ZINC001321207797 1107285982 /nfs/dbraw/zinc/28/59/82/1107285982.db2.gz NMLWGNCDPHINRW-UHFFFAOYSA-N 0 3 324.428 3.334 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1ccc(C)c(F)c1 ZINC001321231183 1107294245 /nfs/dbraw/zinc/29/42/45/1107294245.db2.gz HDLYEKPKJSIUTR-UCFODXPJSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H](C)C(C)(C)C ZINC001317397856 1107314605 /nfs/dbraw/zinc/31/46/05/1107314605.db2.gz NMTOUPYKMFHILZ-RYUDHWBXSA-N 0 3 319.287 3.062 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001317456554 1107404237 /nfs/dbraw/zinc/40/42/37/1107404237.db2.gz BWUXRXWYIDGOLT-GOSISDBHSA-N 0 3 316.420 3.055 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001321697266 1107413348 /nfs/dbraw/zinc/41/33/48/1107413348.db2.gz RSIHNCNWPDGCCT-UKRRQHHQSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1cc(F)ccc1C ZINC001317485524 1107443577 /nfs/dbraw/zinc/44/35/77/1107443577.db2.gz VNPMNCHBMXFEPJ-UHFFFAOYSA-N 0 3 318.436 3.266 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN2Cc2cccc(C)c2)C1 ZINC001317511332 1107474626 /nfs/dbraw/zinc/47/46/26/1107474626.db2.gz YKEXQLMZLJLUPB-SFHVURJKSA-N 0 3 312.457 3.432 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001317534347 1107496203 /nfs/dbraw/zinc/49/62/03/1107496203.db2.gz QSMTYBPCMBCHLD-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001317545842 1107513518 /nfs/dbraw/zinc/51/35/18/1107513518.db2.gz KKFKNNLXFDKYCJ-GOSISDBHSA-N 0 3 318.436 3.027 20 30 DGEDHN Cc1ccccc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001322112161 1107517967 /nfs/dbraw/zinc/51/79/67/1107517967.db2.gz UOBKJZSQICPJQV-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C)c(OC)c(C)c1)C1CC1 ZINC001317552258 1107526316 /nfs/dbraw/zinc/52/63/16/1107526316.db2.gz UBMFKQFWLWBFRI-UHFFFAOYSA-N 0 3 316.445 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(Cc1ccc(CF)cc1)C1CC1 ZINC001317554156 1107529521 /nfs/dbraw/zinc/52/95/21/1107529521.db2.gz DIEWDRFLZLUYOX-UHFFFAOYSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001322130184 1107530406 /nfs/dbraw/zinc/53/04/06/1107530406.db2.gz OBJPCRIEWQLIMY-CXAGYDPISA-N 0 3 304.409 3.216 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2ccccc2F)CCC1)C1CC1 ZINC001317558999 1107538533 /nfs/dbraw/zinc/53/85/33/1107538533.db2.gz PDXIBAKJBRHGRG-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](c1ccc(F)cc1)C(C)C)C1CC1 ZINC001317560850 1107545102 /nfs/dbraw/zinc/54/51/02/1107545102.db2.gz CLNURSVZYVEIOU-SFHVURJKSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc2c(c1)COC2 ZINC001322169056 1107552094 /nfs/dbraw/zinc/55/20/94/1107552094.db2.gz NEWRJXMLDVBGMO-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001322218855 1107574187 /nfs/dbraw/zinc/57/41/87/1107574187.db2.gz OPSJZTNPBDHBKO-GUYCJALGSA-N 0 3 318.436 3.462 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001317651054 1107579866 /nfs/dbraw/zinc/57/98/66/1107579866.db2.gz QBNUYAZNWAQZAA-GOSISDBHSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H](C)NCc2ncc(C)s2)CC1 ZINC001317678892 1107597421 /nfs/dbraw/zinc/59/74/21/1107597421.db2.gz UUAZVMVDIGCZQE-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CC(C)C#CC(=O)NCCCN(Cc1ccccc1F)C(C)C ZINC001317688037 1107605018 /nfs/dbraw/zinc/60/50/18/1107605018.db2.gz VACKJVWWGMNAFG-UHFFFAOYSA-N 0 3 318.436 3.202 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cnc(C)s1)c1ccccc1 ZINC001317714975 1107618621 /nfs/dbraw/zinc/61/86/21/1107618621.db2.gz KEWZOAMJYNZMLO-HNNXBMFYSA-N 0 3 315.442 3.088 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC001317720646 1107622106 /nfs/dbraw/zinc/62/21/06/1107622106.db2.gz JUFZHNIURDNUCM-LJQANCHMSA-N 0 3 319.408 3.415 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1 ZINC001317726758 1107624927 /nfs/dbraw/zinc/62/49/27/1107624927.db2.gz BUSIXLRBWRQLEB-VQIMIIECSA-N 0 3 324.424 3.087 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001317740015 1107630965 /nfs/dbraw/zinc/63/09/65/1107630965.db2.gz GEFPRSBLQIKZAD-KMICSSQZSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cc(C)no1 ZINC001322352630 1107645520 /nfs/dbraw/zinc/64/55/20/1107645520.db2.gz BDYAZILHIUAXLP-NVXWUHKLSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001317770667 1107654152 /nfs/dbraw/zinc/65/41/52/1107654152.db2.gz UHBBOYKZAFZOKI-IRXDYDNUSA-N 0 3 316.445 3.109 20 30 DGEDHN C=CCCC(=O)NCC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001317780777 1107662290 /nfs/dbraw/zinc/66/22/90/1107662290.db2.gz WYACAOKBKBQNKT-OAHLLOKOSA-N 0 3 304.409 3.120 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1ccccc1C ZINC001322709901 1107743211 /nfs/dbraw/zinc/74/32/11/1107743211.db2.gz GEJUMHUSRWVPMN-UHFFFAOYSA-N 0 3 308.853 3.118 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001317948112 1107758964 /nfs/dbraw/zinc/75/89/64/1107758964.db2.gz SIDMECRKTYSVGB-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001317987341 1107783274 /nfs/dbraw/zinc/78/32/74/1107783274.db2.gz IWKZGYYYECZPBW-HNNXBMFYSA-N 0 3 322.449 3.453 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@H](CC)C1 ZINC001323128964 1107844978 /nfs/dbraw/zinc/84/49/78/1107844978.db2.gz IRFXBFWJWBOZID-HSWBZUAGSA-N 0 3 319.276 3.488 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1CC1CCC(C)(C)CC1 ZINC001323225209 1107891847 /nfs/dbraw/zinc/89/18/47/1107891847.db2.gz GTIRJLUKUZASEZ-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CC1 ZINC001318198123 1107892337 /nfs/dbraw/zinc/89/23/37/1107892337.db2.gz SARRXPUOFVLBDW-KBPBESRZSA-N 0 3 314.420 3.287 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001318209872 1107898855 /nfs/dbraw/zinc/89/88/55/1107898855.db2.gz RYSLTPJPWVRCEJ-JENIJYKNSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(COC)CCCCC1 ZINC001323245901 1107902368 /nfs/dbraw/zinc/90/23/68/1107902368.db2.gz IBESJXSNTWFBCB-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccs1 ZINC001318217312 1107903066 /nfs/dbraw/zinc/90/30/66/1107903066.db2.gz ZTXPJAWSUBLECW-ILXRZTDVSA-N 0 3 304.459 3.103 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001318248033 1107914518 /nfs/dbraw/zinc/91/45/18/1107914518.db2.gz OZPBXXURHWAEEM-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001323294105 1107922862 /nfs/dbraw/zinc/92/28/62/1107922862.db2.gz SFCOXAJUPDUEEE-OLZOCXBDSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001323333425 1107940682 /nfs/dbraw/zinc/94/06/82/1107940682.db2.gz CFLDJMLTSWOVMM-HIFRSBDPSA-N 0 3 317.433 3.101 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001318333728 1107945903 /nfs/dbraw/zinc/94/59/03/1107945903.db2.gz HWXDKJWCUXGELP-LJQANCHMSA-N 0 3 312.457 3.454 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001323358541 1107951478 /nfs/dbraw/zinc/95/14/78/1107951478.db2.gz VIWNNXBXWIDRGZ-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001323372346 1107956658 /nfs/dbraw/zinc/95/66/58/1107956658.db2.gz VBTXDBNYUHPODN-QGZVFWFLSA-N 0 3 312.457 3.183 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@@H](CC)c2ccc(F)cc2)CC1 ZINC001323407937 1107967730 /nfs/dbraw/zinc/96/77/30/1107967730.db2.gz ZTRNPRBPRYYCHX-INIZCTEOSA-N 0 3 304.409 3.481 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001318376747 1107968187 /nfs/dbraw/zinc/96/81/87/1107968187.db2.gz RABHORMCKSUJAF-UONOGXRCSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001318421839 1107992743 /nfs/dbraw/zinc/99/27/43/1107992743.db2.gz FYNIITGTEXMHAT-DOTOQJQBSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1-c1nccs1 ZINC001263331819 1108021134 /nfs/dbraw/zinc/02/11/34/1108021134.db2.gz ZTARLOYXONKKOX-CYBMUJFWSA-N 0 3 301.415 3.432 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC001263374035 1108029652 /nfs/dbraw/zinc/02/96/52/1108029652.db2.gz YURACEQODANQKO-RLCDCCMLSA-N 0 3 318.373 3.283 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001318492611 1108051807 /nfs/dbraw/zinc/05/18/07/1108051807.db2.gz RQQSMQZYESDWGU-IEBWSBKVSA-N 0 3 312.457 3.455 20 30 DGEDHN CC[C@H](CNC(=O)C(C)=C1CCCC1)NCC#Cc1ccccc1 ZINC001318510586 1108069958 /nfs/dbraw/zinc/06/99/58/1108069958.db2.gz BFSSOARFRTYJNZ-HXUWFJFHSA-N 0 3 324.468 3.413 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC=C)cc1 ZINC001323788090 1108083448 /nfs/dbraw/zinc/08/34/48/1108083448.db2.gz LUIXEMFZVKIYIK-BGYRXZFFSA-N 0 3 322.452 3.313 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C=C(CC)CC)C2)CC1 ZINC001323825808 1108095754 /nfs/dbraw/zinc/09/57/54/1108095754.db2.gz NFSASFBOJHKDGM-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN CC[C@H](CNC(=O)CCCC(C)C)NCC#Cc1ccccc1 ZINC001318574856 1108104604 /nfs/dbraw/zinc/10/46/04/1108104604.db2.gz FRZKNESAANSORW-LJQANCHMSA-N 0 3 314.473 3.349 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001263616056 1108110237 /nfs/dbraw/zinc/11/02/37/1108110237.db2.gz MVLLYDQBKDCCNQ-BBRMVZONSA-N 0 3 313.376 3.487 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001263615924 1108110381 /nfs/dbraw/zinc/11/03/81/1108110381.db2.gz JGMJANBBWZADIS-CZXHOFHRSA-N 0 3 305.809 3.466 20 30 DGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC001324022595 1108150043 /nfs/dbraw/zinc/15/00/43/1108150043.db2.gz RIRJAMFYJQUEQH-ZYHUDNBSSA-N 0 3 314.223 3.309 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001318678953 1108150518 /nfs/dbraw/zinc/15/05/18/1108150518.db2.gz ZYJIBZBGNDSBNH-XHNXRLJJSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC001318762822 1108188297 /nfs/dbraw/zinc/18/82/97/1108188297.db2.gz WPZIBLFWHWRPPO-ZDUSSCGKSA-N 0 3 312.866 3.333 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(C(F)F)CC2)C1 ZINC001318794316 1108200106 /nfs/dbraw/zinc/20/01/06/1108200106.db2.gz OQHMCKYFLNQEFF-GFCCVEGCSA-N 0 3 320.811 3.003 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001263807118 1108211868 /nfs/dbraw/zinc/21/18/68/1108211868.db2.gz HHFFWIBYOIQFNO-MLHJIOFPSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001263817399 1108227757 /nfs/dbraw/zinc/22/77/57/1108227757.db2.gz UZXFUPIUBKNXAI-HUUCEWRRSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001263817400 1108228556 /nfs/dbraw/zinc/22/85/56/1108228556.db2.gz UZXFUPIUBKNXAI-LSDHHAIUSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1cc(F)ccc1F ZINC001263821169 1108234510 /nfs/dbraw/zinc/23/45/10/1108234510.db2.gz NSDJUTNMAJUOCI-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C[C@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001324301537 1108242674 /nfs/dbraw/zinc/24/26/74/1108242674.db2.gz MMPLJOANJYNRFS-UONOGXRCSA-N 0 3 317.408 3.017 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001263845555 1108252913 /nfs/dbraw/zinc/25/29/13/1108252913.db2.gz QQJDONZLVMYSEJ-TXEJJXNPSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(F)cc2Cl)CC1 ZINC001324335050 1108253868 /nfs/dbraw/zinc/25/38/68/1108253868.db2.gz OLKCWVLBDHFHFE-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCCC2(CC2)C1)C1CCN(CC=C)CC1 ZINC001324386114 1108272667 /nfs/dbraw/zinc/27/26/67/1108272667.db2.gz CODBLTFVEKVSFH-KRWDZBQOSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCO[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001324417980 1108280554 /nfs/dbraw/zinc/28/05/54/1108280554.db2.gz XURIQDJRENBLJC-OOXMNIKJSA-N 0 3 302.374 3.275 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccnc1 ZINC001263946525 1108307675 /nfs/dbraw/zinc/30/76/75/1108307675.db2.gz UKHVWRWKDSPJSV-CZUORRHYSA-N 0 3 321.852 3.055 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2c(C)nsc2C)CC1 ZINC001491567978 1108381931 /nfs/dbraw/zinc/38/19/31/1108381931.db2.gz IVAFIAHWCBRYPC-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC001264132955 1108390700 /nfs/dbraw/zinc/39/07/00/1108390700.db2.gz IUWFXKLAHRDPKF-KGLIPLIRSA-N 0 3 307.463 3.082 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(OC(F)F)c1 ZINC001319435498 1108465783 /nfs/dbraw/zinc/46/57/83/1108465783.db2.gz JGSJUPLFFUNSPU-HIFRSBDPSA-N 0 3 322.355 3.161 20 30 DGEDHN C#CCN(Cc1cccc(C(=O)N2CCCCC2)c1)CC1CC1 ZINC001319446125 1108470834 /nfs/dbraw/zinc/47/08/34/1108470834.db2.gz JUAUSPRERMMFCD-UHFFFAOYSA-N 0 3 310.441 3.158 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@H]1C=CCCC1 ZINC001319475958 1108485220 /nfs/dbraw/zinc/48/52/20/1108485220.db2.gz BCFRSXZXWVPQBO-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(c2ccccc2)CC1 ZINC001264378612 1108491658 /nfs/dbraw/zinc/49/16/58/1108491658.db2.gz NHCKSWCRNHYYHD-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001264377946 1108491818 /nfs/dbraw/zinc/49/18/18/1108491818.db2.gz APXWSASPPJXWLB-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCCCC(=O)NCC1(C)CCN(Cc2ccccn2)CC1 ZINC001324881191 1108493193 /nfs/dbraw/zinc/49/31/93/1108493193.db2.gz WTEUWFXRCBPZTK-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001324960053 1108538459 /nfs/dbraw/zinc/53/84/59/1108538459.db2.gz DNPFNORUKXLKSU-INIZCTEOSA-N 0 3 314.420 3.216 20 30 DGEDHN C[C@@H](NC(=O)c1csc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC001325191469 1108591445 /nfs/dbraw/zinc/59/14/45/1108591445.db2.gz NYDAVBQUPYOBSA-MLGOLLRUSA-N 0 3 313.426 3.041 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(C)c(Cl)c2)[C@H]1C ZINC001264713182 1108629142 /nfs/dbraw/zinc/62/91/42/1108629142.db2.gz SQSNVTKTSVNPOR-PBHICJAKSA-N 0 3 320.864 3.346 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)[C@H]1C ZINC001264729295 1108635997 /nfs/dbraw/zinc/63/59/97/1108635997.db2.gz LCBGVRTYUOJQNO-NUJGCVRESA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)CC(C)(C)C1 ZINC001264753284 1108650608 /nfs/dbraw/zinc/65/06/08/1108650608.db2.gz FBSGEHBJFVDYLT-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C[C@H](C)CC(C)C)CC(C)(C)C1 ZINC001264753286 1108650802 /nfs/dbraw/zinc/65/08/02/1108650802.db2.gz FBSGEHBJFVDYLT-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001265043152 1108710001 /nfs/dbraw/zinc/71/00/01/1108710001.db2.gz CKQVAJYKIAJMNX-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](CCC)c1ccccc1 ZINC001265066175 1108717920 /nfs/dbraw/zinc/71/79/20/1108717920.db2.gz JMPSFUCGIQPDHM-SFHVURJKSA-N 0 3 300.446 3.032 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CCC(F)(F)F)C1CC1 ZINC001265171236 1108757463 /nfs/dbraw/zinc/75/74/63/1108757463.db2.gz MRCOHFJTQUZMMP-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC001265197471 1108769554 /nfs/dbraw/zinc/76/95/54/1108769554.db2.gz RIJOUIPMGDJEJX-HNNXBMFYSA-N 0 3 318.436 3.113 20 30 DGEDHN O=C(C#CC1CC1)N[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001265212528 1108780263 /nfs/dbraw/zinc/78/02/63/1108780263.db2.gz CLGDZUQLXKUDAY-LJQANCHMSA-N 0 3 322.452 3.058 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001265296731 1108811000 /nfs/dbraw/zinc/81/10/00/1108811000.db2.gz CIKNFAGWAIXBTG-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001265301156 1108814303 /nfs/dbraw/zinc/81/43/03/1108814303.db2.gz FGBPPDOOGYKNAK-PKOBYXMFSA-N 0 3 300.446 3.288 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(CC)CCCCC2)CC1 ZINC001265336283 1108831360 /nfs/dbraw/zinc/83/13/60/1108831360.db2.gz VIMBIYOSEHVKDG-KRWDZBQOSA-N 0 3 316.489 3.341 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1OCC ZINC001265402347 1108864115 /nfs/dbraw/zinc/86/41/15/1108864115.db2.gz OFCHWFGBECUDCZ-XMTFNYHQSA-N 0 3 322.493 3.057 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@H](C)C1 ZINC001265408633 1108865286 /nfs/dbraw/zinc/86/52/86/1108865286.db2.gz PGHRFECQQAKGSA-TVFCKZIOSA-N 0 3 322.493 3.057 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C(F)(F)F ZINC001265411880 1108865935 /nfs/dbraw/zinc/86/59/35/1108865935.db2.gz VBXDWGKPDRNSLH-MCIONIFRSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001265577198 1108917434 /nfs/dbraw/zinc/91/74/34/1108917434.db2.gz DEKLFDJAZHCAQS-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN C=C(C)[C@H](CC(=O)NC[C@H]1CCCCN1CC=C(C)C)OCC ZINC001265648086 1108947772 /nfs/dbraw/zinc/94/77/72/1108947772.db2.gz XSORPQQXBBUEHE-MSOLQXFVSA-N 0 3 322.493 3.295 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001265703685 1108975647 /nfs/dbraw/zinc/97/56/47/1108975647.db2.gz SOIHVVQEHIMAJR-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001265706049 1108978238 /nfs/dbraw/zinc/97/82/38/1108978238.db2.gz QBDQKQJPLWRYPJ-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCC(NCc2conc2C)CC1 ZINC001265739777 1108987419 /nfs/dbraw/zinc/98/74/19/1108987419.db2.gz ZCEIZILYFRJPIP-LEOMRAHMSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)CCC(=O)NCCCN(C)Cc1ccc(F)c(F)c1 ZINC001265855671 1109028016 /nfs/dbraw/zinc/02/80/16/1109028016.db2.gz ZXAABPBSIDSKPH-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001265908420 1109038946 /nfs/dbraw/zinc/03/89/46/1109038946.db2.gz MDLIZPSPDJPJRI-INIZCTEOSA-N 0 3 308.372 3.012 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC12CCC2 ZINC001266089886 1109085561 /nfs/dbraw/zinc/08/55/61/1109085561.db2.gz ZQCLDKGCUWHSTM-IBGZPJMESA-N 0 3 324.468 3.057 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@H](C)C(C)C ZINC001266089337 1109085779 /nfs/dbraw/zinc/08/57/79/1109085779.db2.gz IAYOSSUERJLXNR-GOSISDBHSA-N 0 3 314.473 3.158 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC001266130471 1109103283 /nfs/dbraw/zinc/10/32/83/1109103283.db2.gz MBXUNDYQMVAXCQ-ZDUSSCGKSA-N 0 3 323.506 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nsc2ccccc21 ZINC001266147353 1109107861 /nfs/dbraw/zinc/10/78/61/1109107861.db2.gz ZIOGFKRTJVPEOQ-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001266191676 1109121879 /nfs/dbraw/zinc/12/18/79/1109121879.db2.gz HPRFGXRUMUWGAD-KDOFPFPSSA-N 0 3 320.864 3.127 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC001266213411 1109128703 /nfs/dbraw/zinc/12/87/03/1109128703.db2.gz ZJGWRGQFSLQABK-INIZCTEOSA-N 0 3 321.440 3.385 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC001266213412 1109128935 /nfs/dbraw/zinc/12/89/35/1109128935.db2.gz ZJGWRGQFSLQABK-MRXNPFEDSA-N 0 3 321.440 3.385 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccccc2C)C1 ZINC001266240522 1109137247 /nfs/dbraw/zinc/13/72/47/1109137247.db2.gz WTMHSARKLRITIZ-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccoc2CC)cc1 ZINC001280351564 1109188760 /nfs/dbraw/zinc/18/87/60/1109188760.db2.gz ZHLFJMHMKDLQHR-AWEZNQCLSA-N 0 3 310.397 3.056 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2cccc(C)c2)cc1 ZINC001280354779 1109189383 /nfs/dbraw/zinc/18/93/83/1109189383.db2.gz UIJYRHZMUVYMEK-QGZVFWFLSA-N 0 3 320.436 3.138 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OC1CCCC1 ZINC001316604248 1109215750 /nfs/dbraw/zinc/21/57/50/1109215750.db2.gz SDILRLIXEOBAIM-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001280760179 1109250010 /nfs/dbraw/zinc/25/00/10/1109250010.db2.gz OVRHGVLEYLDCFB-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccccc1C1CCC1 ZINC001280879992 1109268074 /nfs/dbraw/zinc/26/80/74/1109268074.db2.gz BMCYWCUMBYHRKL-UHFFFAOYSA-N 0 3 312.457 3.371 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CC)(NCc2coc(C)n2)CC1 ZINC001281024089 1109291580 /nfs/dbraw/zinc/29/15/80/1109291580.db2.gz UFRHKMLHWULJON-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)C=C(C)C ZINC001281062123 1109298986 /nfs/dbraw/zinc/29/89/86/1109298986.db2.gz CTCNBVVTBHUPOJ-LJQANCHMSA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)CCCF ZINC001281070553 1109299588 /nfs/dbraw/zinc/29/95/88/1109299588.db2.gz HHMMWANMDYFCDJ-SFHVURJKSA-N 0 3 318.436 3.245 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](CC)SC)cc2C1 ZINC001281292325 1109324288 /nfs/dbraw/zinc/32/42/88/1109324288.db2.gz BIPUWPRRIHLNLE-QGZVFWFLSA-N 0 3 318.486 3.336 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccc(F)cc1F ZINC001316609882 1109334159 /nfs/dbraw/zinc/33/41/59/1109334159.db2.gz YOXOPNSWWOQMPO-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccccc2F)C(C)(C)C1 ZINC001281570131 1109381638 /nfs/dbraw/zinc/38/16/38/1109381638.db2.gz AGJHLEALWZPDMW-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001281768659 1109405330 /nfs/dbraw/zinc/40/53/30/1109405330.db2.gz STHGSEWDRNNWKQ-ZDUSSCGKSA-N 0 3 312.816 3.293 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)Cc1ccccc1C ZINC001281768082 1109405740 /nfs/dbraw/zinc/40/57/40/1109405740.db2.gz FVNNYJFKRPBAOY-HOCLYGCPSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccccc1-n1cccc1 ZINC001281956190 1109421913 /nfs/dbraw/zinc/42/19/13/1109421913.db2.gz BTCPJQPIHPNFDA-KRWDZBQOSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2nc(C)ccc2c1 ZINC001281965183 1109423858 /nfs/dbraw/zinc/42/38/58/1109423858.db2.gz OWVGCELMIWRMKP-GOSISDBHSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001282096295 1109449397 /nfs/dbraw/zinc/44/93/97/1109449397.db2.gz KAUJUPQOCQOLEC-GJZGRUSLSA-N 0 3 318.848 3.141 20 30 DGEDHN CC(C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1)=C1CCC1 ZINC001282128888 1109454704 /nfs/dbraw/zinc/45/47/04/1109454704.db2.gz OYHSXFVGEYQCAB-CHWSQXEVSA-N 0 3 317.458 3.103 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NCc1cc2ccccc2o1 ZINC001282129815 1109455191 /nfs/dbraw/zinc/45/51/91/1109455191.db2.gz VDFKNKJSHDUMNP-CABCVRRESA-N 0 3 312.413 3.075 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NCc2cc(C)ns2)CC1 ZINC001282182076 1109463877 /nfs/dbraw/zinc/46/38/77/1109463877.db2.gz CQABLUDJESZOTH-ZIAGYGMSSA-N 0 3 321.490 3.181 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001282185000 1109464942 /nfs/dbraw/zinc/46/49/42/1109464942.db2.gz LFLKGFYCGOWBOC-OLZOCXBDSA-N 0 3 321.490 3.429 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001282295334 1109480994 /nfs/dbraw/zinc/48/09/94/1109480994.db2.gz VPSASXGFUMPXCJ-KBPBESRZSA-N 0 3 318.864 3.341 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282477815 1109521896 /nfs/dbraw/zinc/52/18/96/1109521896.db2.gz JJCRCIWBRDJXGM-QAPCUYQASA-N 0 3 315.461 3.321 20 30 DGEDHN CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CC1 ZINC001282643752 1109541819 /nfs/dbraw/zinc/54/18/19/1109541819.db2.gz RWKPJFHYMFBPTQ-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001282705768 1109554867 /nfs/dbraw/zinc/55/48/67/1109554867.db2.gz ICKHXENRGUIMIB-AWEZNQCLSA-N 0 3 318.486 3.105 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001282707552 1109555280 /nfs/dbraw/zinc/55/52/80/1109555280.db2.gz WDQISAGCFFPZIA-QGZVFWFLSA-N 0 3 312.457 3.043 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001282745657 1109562281 /nfs/dbraw/zinc/56/22/81/1109562281.db2.gz VYJACZJNBDFTEA-ZIAGYGMSSA-N 0 3 320.864 3.456 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001283091929 1109594024 /nfs/dbraw/zinc/59/40/24/1109594024.db2.gz NOKKTLLUMYDOKY-FPCVCCKLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001283583008 1109656795 /nfs/dbraw/zinc/65/67/95/1109656795.db2.gz QOKSRJAZGYQKNA-GFCCVEGCSA-N 0 3 312.816 3.382 20 30 DGEDHN C[C@H](CN(C)C(=O)C1(C)CCCC1)NCc1ccc(C#N)s1 ZINC001283655264 1109667778 /nfs/dbraw/zinc/66/77/78/1109667778.db2.gz WGGOAJWQQRIBKB-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@H]1C ZINC001283868465 1109691434 /nfs/dbraw/zinc/69/14/34/1109691434.db2.gz LXDILDDFXVFODG-TZMCWYRMSA-N 0 3 324.877 3.284 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(Cl)cc2)[C@@H]1C ZINC001284129099 1109743552 /nfs/dbraw/zinc/74/35/52/1109743552.db2.gz GCIQEURJZOLZHG-WMLDXEAASA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1 ZINC001284333507 1109777704 /nfs/dbraw/zinc/77/77/04/1109777704.db2.gz VKGJTQPAOXOZQN-INIZCTEOSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001284591942 1109820906 /nfs/dbraw/zinc/82/09/06/1109820906.db2.gz WREYNBNNWDVLCN-AWEZNQCLSA-N 0 3 309.479 3.120 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CCN(Cc2cnccc2C)CC1 ZINC001284713172 1109847387 /nfs/dbraw/zinc/84/73/87/1109847387.db2.gz VAWIDSYMQQKCGO-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(NCc2cccc(F)c2F)C1 ZINC001284750435 1109854727 /nfs/dbraw/zinc/85/47/27/1109854727.db2.gz BCNNGQTWLOCICK-UHFFFAOYSA-N 0 3 308.372 3.010 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)C)C1 ZINC001316641604 1110023981 /nfs/dbraw/zinc/02/39/81/1110023981.db2.gz NNNOCAQQHKKYSV-ZWKOTPCHSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001316645172 1110159203 /nfs/dbraw/zinc/15/92/03/1110159203.db2.gz OGVKXUDKAWATBY-BPQIPLTHSA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)[C@H]1CCCc2ccccc21 ZINC001304066543 1111164500 /nfs/dbraw/zinc/16/45/00/1111164500.db2.gz LLOAWMIWHCNAQK-HLIPFELVSA-N 0 3 324.468 3.399 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001317442152 1111213155 /nfs/dbraw/zinc/21/31/55/1111213155.db2.gz FFIVEQYEROMYSM-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C(C)CN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC001307740081 1111333988 /nfs/dbraw/zinc/33/39/88/1111333988.db2.gz CVTQCIOEUUOOLT-UHFFFAOYSA-N 0 3 314.389 3.178 20 30 DGEDHN C=C(CC)CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC001307861349 1111346959 /nfs/dbraw/zinc/34/69/59/1111346959.db2.gz QQEQQTFNGYTPFW-LSDHHAIUSA-N 0 3 309.356 3.119 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001307956362 1111360054 /nfs/dbraw/zinc/36/00/54/1111360054.db2.gz QHMNBECCSURRBA-UHFFFAOYSA-N 0 3 317.429 3.114 20 30 DGEDHN Cc1cncc([C@@H]2CCCN2C[C@@H](O)c2cccc(C#N)c2)c1 ZINC001308018158 1111367606 /nfs/dbraw/zinc/36/76/06/1111367606.db2.gz AYQQCVYAJKOLFL-RBUKOAKNSA-N 0 3 307.397 3.132 20 30 DGEDHN N#CCOc1ccc(CNCc2ccc3scnc3c2)cc1 ZINC001308256371 1111406343 /nfs/dbraw/zinc/40/63/43/1111406343.db2.gz JGFXZVOUUATQHH-UHFFFAOYSA-N 0 3 309.394 3.488 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1cccc(C)c1Br ZINC001308482617 1111433387 /nfs/dbraw/zinc/43/33/87/1111433387.db2.gz QYVWPRDUMTYOQJ-AWEZNQCLSA-N 0 3 310.235 3.276 20 30 DGEDHN C#CC1(NCc2sc(N3CCCCC3)nc2C)CCCC1 ZINC001308500121 1111435386 /nfs/dbraw/zinc/43/53/86/1111435386.db2.gz JWIVWBQJHHCGJO-UHFFFAOYSA-N 0 3 303.475 3.477 20 30 DGEDHN C#CCCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308653418 1111455753 /nfs/dbraw/zinc/45/57/53/1111455753.db2.gz CIWNYLYPOSHSAL-UHFFFAOYSA-N 0 3 315.417 3.301 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CC)CCCC2)CC(C)(C)C1 ZINC001316812345 1111746708 /nfs/dbraw/zinc/74/67/08/1111746708.db2.gz UQKOTYXGZQOQJG-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@H](NCc2cnoc2C)C1 ZINC001316774716 1111763018 /nfs/dbraw/zinc/76/30/18/1111763018.db2.gz MXSXJVMFQUJGRE-KRWDZBQOSA-N 0 3 319.449 3.200 20 30 DGEDHN N#CC(CCN1CCC[C@@H](O)C1)(c1ccccc1)c1ccccc1 ZINC000095563485 185379951 /nfs/dbraw/zinc/37/99/51/185379951.db2.gz QUCDHLYUTQBEOV-HXUWFJFHSA-N 0 3 320.436 3.343 20 30 DGEDHN CC[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000278613560 214275379 /nfs/dbraw/zinc/27/53/79/214275379.db2.gz FWKDHMPZOLZVJJ-SFHVURJKSA-N 0 3 313.445 3.390 20 30 DGEDHN CCc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cnn1C(C)(C)C ZINC000330931653 529470758 /nfs/dbraw/zinc/47/07/58/529470758.db2.gz VCRLXCOXUCQKER-UKRRQHHQSA-N 0 3 320.481 3.234 20 30 DGEDHN CCc1c(C(=O)NC[C@H]2CCCCN2CC)cnn1C(C)(C)C ZINC000330701225 529470777 /nfs/dbraw/zinc/47/07/77/529470777.db2.gz NSKOWAJJSUOOBU-CQSZACIVSA-N 0 3 320.481 3.380 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000341753213 529664194 /nfs/dbraw/zinc/66/41/94/529664194.db2.gz FITYKMFMWJATQJ-AYBZRNKSSA-N 0 3 315.461 3.479 20 30 DGEDHN N#Cc1ccc(CN2CCC(NCc3ccccc3F)CC2)cc1 ZINC000181398434 199290956 /nfs/dbraw/zinc/29/09/56/199290956.db2.gz HRWIWRUWZQXXOL-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000181558155 199316810 /nfs/dbraw/zinc/31/68/10/199316810.db2.gz MRTFCENKLZJFIK-IBGZPJMESA-N 0 3 319.408 3.108 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCCn1ccnc1 ZINC000130374256 529823398 /nfs/dbraw/zinc/82/33/98/529823398.db2.gz ZRVKNQWOWDTROS-UHFFFAOYSA-N 0 3 321.346 3.276 20 30 DGEDHN CC(=O)Nc1cccc(OCCN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181923984 199364905 /nfs/dbraw/zinc/36/49/05/199364905.db2.gz SLJUPNBZKBRRJR-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104704794 432016987 /nfs/dbraw/zinc/01/69/87/432016987.db2.gz UGZMMKTVNADPCQ-CXAGYDPISA-N 0 3 317.408 3.017 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2nccc3ccccc32)CC1 ZINC000106034149 432019501 /nfs/dbraw/zinc/01/95/01/432019501.db2.gz YERFAESIQKJFJP-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC000106040077 432020100 /nfs/dbraw/zinc/02/01/00/432020100.db2.gz TVTSFSHGOHOIDD-INIZCTEOSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000177855992 186193916 /nfs/dbraw/zinc/19/39/16/186193916.db2.gz XZKOMRSHEJDTLI-UHFFFAOYSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC1CCN(CC=C)CC1 ZINC000171978173 198020308 /nfs/dbraw/zinc/02/03/08/198020308.db2.gz LQZRUOZLODYAGD-UHFFFAOYSA-N 0 3 319.493 3.415 20 30 DGEDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000174009133 198280651 /nfs/dbraw/zinc/28/06/51/198280651.db2.gz RCQGYJQTBYTYKN-RHSMWYFYSA-N 0 3 305.381 3.014 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](c2cccs2)N2CCCC2)o1 ZINC000174238335 198309367 /nfs/dbraw/zinc/30/93/67/198309367.db2.gz BXMBXWCCJWHGEL-HNNXBMFYSA-N 0 3 301.415 3.139 20 30 DGEDHN CCO[C@H]1C[C@H](NCc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000174508292 198343400 /nfs/dbraw/zinc/34/34/00/198343400.db2.gz BPWWOSMYAALNAM-IRXDYDNUSA-N 0 3 300.402 3.004 20 30 DGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccccc1Cl ZINC000131197707 432034063 /nfs/dbraw/zinc/03/40/63/432034063.db2.gz ONKFCCAJUJLXKN-INIZCTEOSA-N 0 3 319.836 3.239 20 30 DGEDHN N#CC1(CCN2CCC[C@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000411271364 283045574 /nfs/dbraw/zinc/04/55/74/283045574.db2.gz GYEVHBQYDJQYIJ-QWHCGFSZSA-N 0 3 304.356 3.238 20 30 DGEDHN N#CC1(c2ccccc2)CC(N[C@H](CCO)c2ccccc2)C1 ZINC000127326197 283049619 /nfs/dbraw/zinc/04/96/19/283049619.db2.gz QIFITGYUSIAEHF-IOJLRTSASA-N 0 3 306.409 3.324 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC000294336908 283058720 /nfs/dbraw/zinc/05/87/20/283058720.db2.gz AKLHVAUJKVLCDU-YPMHNXCESA-N 0 3 312.339 3.231 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000068048789 432049677 /nfs/dbraw/zinc/04/96/77/432049677.db2.gz BRSLEAWDZACHFH-IEBWSBKVSA-N 0 3 301.430 3.116 20 30 DGEDHN N#Cc1ccc(CN(CCCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000338236872 283138476 /nfs/dbraw/zinc/13/84/76/283138476.db2.gz YPYOURWTWVJNHK-LJQANCHMSA-N 0 3 314.429 3.456 20 30 DGEDHN N#Cc1cnc(N2CCC[C@H]2CN2CCCCC2)c(Cl)c1 ZINC000160450154 283231768 /nfs/dbraw/zinc/23/17/68/283231768.db2.gz YNNCLRXIJGNXBJ-AWEZNQCLSA-N 0 3 304.825 3.061 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000133539838 432066563 /nfs/dbraw/zinc/06/65/63/432066563.db2.gz ULNKLMZKTPFCJZ-RBUKOAKNSA-N 0 3 319.408 3.423 20 30 DGEDHN C=CCOc1ccc(CN(CC)C[C@@H]2CCCO2)cc1OC ZINC000179846356 432072770 /nfs/dbraw/zinc/07/27/70/432072770.db2.gz XGESARDNYHCYER-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000237712555 202334334 /nfs/dbraw/zinc/33/43/34/202334334.db2.gz CUDYPUIKPIIQKX-BEFAXECRSA-N 0 3 324.424 3.204 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)nc1 ZINC000428773530 238031277 /nfs/dbraw/zinc/03/12/77/238031277.db2.gz QMCABFOAQOCVRF-LJQANCHMSA-N 0 3 319.408 3.095 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428774812 238031411 /nfs/dbraw/zinc/03/14/11/238031411.db2.gz XSXPGSTWABNXJM-DOTOQJQBSA-N 0 3 307.397 3.476 20 30 DGEDHN N#CCC1(CNCc2ccccc2OCc2ccccn2)CC1 ZINC000430020877 238064537 /nfs/dbraw/zinc/06/45/37/238064537.db2.gz QAUYWDUJORRCJF-UHFFFAOYSA-N 0 3 307.397 3.444 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(=O)[nH]1 ZINC000430613246 238081669 /nfs/dbraw/zinc/08/16/69/238081669.db2.gz UUXOJPYGTONFEU-NSHDSACASA-N 0 3 315.398 3.340 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2sccc2C1 ZINC000433219361 238151541 /nfs/dbraw/zinc/15/15/41/238151541.db2.gz LOKORTNPXKHSFV-OAHLLOKOSA-N 0 3 310.422 3.405 20 30 DGEDHN COCc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433234118 238151658 /nfs/dbraw/zinc/15/16/58/238151658.db2.gz QOWIUUKTCQEMNS-LJQANCHMSA-N 0 3 322.408 3.222 20 30 DGEDHN C[C@@H](NC[C@](C)(O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000271957536 209340042 /nfs/dbraw/zinc/34/00/42/209340042.db2.gz QJGODTANPLEWCR-BZNIZROVSA-N 0 3 304.390 3.317 20 30 DGEDHN C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271911913 209319535 /nfs/dbraw/zinc/31/95/35/209319535.db2.gz AZHUHDYDRGOLMP-LBPRGKRZSA-N 0 3 321.396 3.215 20 30 DGEDHN COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1cccc(C#N)c1)C2 ZINC000271895485 209305392 /nfs/dbraw/zinc/30/53/92/209305392.db2.gz TZUGPVWAJUDVQF-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cc2ccc(C#N)s2)C1 ZINC000281395495 216271285 /nfs/dbraw/zinc/27/12/85/216271285.db2.gz XCZFLEPDZWGXEO-ZCPGHIKRSA-N 0 3 304.459 3.381 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCCOC1CCCC1 ZINC000435927325 238373316 /nfs/dbraw/zinc/37/33/16/238373316.db2.gz LXAUKFKOZIYSDN-QGZVFWFLSA-N 0 3 314.429 3.224 20 30 DGEDHN CCOc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292774879 223240380 /nfs/dbraw/zinc/24/03/80/223240380.db2.gz KVECBFNBGBVGBA-SFHVURJKSA-N 0 3 323.396 3.005 20 30 DGEDHN COc1cccc(N2CC[C@H](N[C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000271852829 209267893 /nfs/dbraw/zinc/26/78/93/209267893.db2.gz IWSCLSWHFILTNZ-YJBOKZPZSA-N 0 3 321.424 3.496 20 30 DGEDHN Cc1ccccc1NC(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271841471 209259822 /nfs/dbraw/zinc/25/98/22/209259822.db2.gz VWZCDWGQWWQGJR-UHFFFAOYSA-N 0 3 319.408 3.474 20 30 DGEDHN CC[C@@H](CO)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449374903 240162759 /nfs/dbraw/zinc/16/27/59/240162759.db2.gz DDTINHNIGRIAQV-IBGZPJMESA-N 0 3 324.424 3.340 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(F)F)c(OCC)c1 ZINC000449520188 240263410 /nfs/dbraw/zinc/26/34/10/240263410.db2.gz OOKWANCJHQMHQZ-OLZOCXBDSA-N 0 3 313.344 3.120 20 30 DGEDHN CCn1ccnc1[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000449564928 240293378 /nfs/dbraw/zinc/29/33/78/240293378.db2.gz FHGCPHYOLZIODV-HNNXBMFYSA-N 0 3 323.444 3.094 20 30 DGEDHN COC(=O)[C@@](C)(CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000189943801 432106664 /nfs/dbraw/zinc/10/66/64/432106664.db2.gz ZBYKMMLRHLFPTF-QRWLVFNGSA-N 0 3 322.408 3.340 20 30 DGEDHN C=CCC1(C(=O)NCCCN2CCCO[C@H](C)C2)CCCCC1 ZINC000451186979 241038100 /nfs/dbraw/zinc/03/81/00/241038100.db2.gz CEMQZVGFAGFIQR-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2Br)C1(C)C ZINC000451491192 241141709 /nfs/dbraw/zinc/14/17/09/241141709.db2.gz ISLINKKENGSVTR-KBPBESRZSA-N 0 3 323.234 3.224 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]1OC ZINC000451624187 241190928 /nfs/dbraw/zinc/19/09/28/241190928.db2.gz PFYXMZBVWNOEJB-UKRRQHHQSA-N 0 3 320.458 3.060 20 30 DGEDHN N#CCCN(C(=O)CN[C@H]1CCC12CCCC2)c1ccccc1 ZINC000451455011 241127623 /nfs/dbraw/zinc/12/76/23/241127623.db2.gz JKVUFRQGPYIOKX-KRWDZBQOSA-N 0 3 311.429 3.246 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000455983169 242323029 /nfs/dbraw/zinc/32/30/29/242323029.db2.gz IOOIFXXPTACGLG-UHFFFAOYSA-N 0 3 322.412 3.120 20 30 DGEDHN COc1ccc(F)cc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000090107460 283983908 /nfs/dbraw/zinc/98/39/08/283983908.db2.gz PAIQJMMHNBFDLR-ZDUSSCGKSA-N 0 3 314.360 3.436 20 30 DGEDHN C=C(CC)CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000459077333 243244677 /nfs/dbraw/zinc/24/46/77/243244677.db2.gz NKPGWUHHENVNHF-UHFFFAOYSA-N 0 3 323.868 3.379 20 30 DGEDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000190046099 432117605 /nfs/dbraw/zinc/11/76/05/432117605.db2.gz LAFFNDBBGLQQDI-HOTGVXAUSA-N 0 3 317.458 3.151 20 30 DGEDHN C[C@@H](C(=O)NCC(C)(C)N1CCCCC1)c1cccc(C#N)c1 ZINC000461734844 243613115 /nfs/dbraw/zinc/61/31/15/243613115.db2.gz TUOMXNBEZGQYDL-OAHLLOKOSA-N 0 3 313.445 3.042 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468474661 244045048 /nfs/dbraw/zinc/04/50/48/244045048.db2.gz HGQSNAOUQURZEI-KRWDZBQOSA-N 0 3 316.445 3.102 20 30 DGEDHN CCOC(=O)N(C)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118396914 284128381 /nfs/dbraw/zinc/12/83/81/284128381.db2.gz NYRUZHYFDBXFNF-AWEZNQCLSA-N 0 3 315.417 3.172 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCC1(N(C)C)CCC1 ZINC000472175876 244287402 /nfs/dbraw/zinc/28/74/02/244287402.db2.gz SPBRXHUQESDODB-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000246328497 432120496 /nfs/dbraw/zinc/12/04/96/432120496.db2.gz UBIKPKJZEJVJDT-SJLPKXTDSA-N 0 3 315.461 3.335 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccc(C)cc3C2)CC1 ZINC000483134993 244836684 /nfs/dbraw/zinc/83/66/84/244836684.db2.gz DEFCTXGCRCXPOY-UHFFFAOYSA-N 0 3 313.445 3.061 20 30 DGEDHN Cc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1C#N ZINC000488125636 245150896 /nfs/dbraw/zinc/15/08/96/245150896.db2.gz GFOGZRVEYQEYSC-FPTDNZKUSA-N 0 3 312.438 3.455 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@H]1CCC[C@H]1C ZINC000487950346 245127288 /nfs/dbraw/zinc/12/72/88/245127288.db2.gz GRMLCCOFNSIVGV-PBHICJAKSA-N 0 3 302.418 3.204 20 30 DGEDHN C[C@H]1C[C@H](Nc2ccc(Br)cc2C#N)CN1C1CC1 ZINC000123034204 284230713 /nfs/dbraw/zinc/23/07/13/284230713.db2.gz SJNKQPRGLUIUIH-GWCFXTLKSA-N 0 3 320.234 3.358 20 30 DGEDHN Cc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1C#N ZINC000488125639 245149789 /nfs/dbraw/zinc/14/97/89/245149789.db2.gz GFOGZRVEYQEYSC-RCDICMHDSA-N 0 3 312.438 3.455 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CC1CCCCC1 ZINC000488403713 245186185 /nfs/dbraw/zinc/18/61/85/245186185.db2.gz NDBFXKBKSIEDJS-PKOBYXMFSA-N 0 3 319.493 3.476 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000489011502 245263546 /nfs/dbraw/zinc/26/35/46/245263546.db2.gz MDOROVJMTMSAIQ-SFHVURJKSA-N 0 3 311.429 3.015 20 30 DGEDHN C#CCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000274897272 212018749 /nfs/dbraw/zinc/01/87/49/212018749.db2.gz OCYNZESNTURMHH-PKOBYXMFSA-N 0 3 310.441 3.323 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000490058747 245378074 /nfs/dbraw/zinc/37/80/74/245378074.db2.gz KTYWSCSPJZZRKE-SFHVURJKSA-N 0 3 315.461 3.041 20 30 DGEDHN C#CCOc1ccc(CNCc2cc(OC)cc(OC)c2)cc1 ZINC000264967268 204310298 /nfs/dbraw/zinc/31/02/98/204310298.db2.gz PXCUGMVAWITDCY-UHFFFAOYSA-N 0 3 311.381 3.006 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000271730122 209164019 /nfs/dbraw/zinc/16/40/19/209164019.db2.gz TZBYCFORXPOZHG-ZBFHGGJFSA-N 0 3 307.434 3.462 20 30 DGEDHN N#Cc1ccccc1N1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000126952911 284322459 /nfs/dbraw/zinc/32/24/59/284322459.db2.gz QCBRGJVAWRTJOH-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN CCCC(=O)NC[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246451951 432132019 /nfs/dbraw/zinc/13/20/19/432132019.db2.gz VPTXVXKLFOJCRE-WBVHZDCISA-N 0 3 313.445 3.248 20 30 DGEDHN C[C@@H](NCc1cccc(N2CCOC2=O)c1)c1cccc(C#N)c1 ZINC000494713863 246184521 /nfs/dbraw/zinc/18/45/21/246184521.db2.gz WXBGWCUMIZMAPN-CQSZACIVSA-N 0 3 321.380 3.366 20 30 DGEDHN C[C@H]1C[C@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000267527195 206125509 /nfs/dbraw/zinc/12/55/09/206125509.db2.gz TUSYEPHXPVRZMU-DOTOQJQBSA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000495183890 246245324 /nfs/dbraw/zinc/24/53/24/246245324.db2.gz ZJDGNWJOVOPVNH-QOKNQOGYSA-N 0 3 320.392 3.397 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(OC)c1)C(C)C ZINC000496013903 246341992 /nfs/dbraw/zinc/34/19/92/246341992.db2.gz KZRKQGVWFKVGNC-GOSISDBHSA-N 0 3 316.445 3.124 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000246606439 432149443 /nfs/dbraw/zinc/14/94/43/432149443.db2.gz DIPSHPJUDIKLDV-SJORKVTESA-N 0 3 316.470 3.194 20 30 DGEDHN C#CCCCCNCc1ccc(OC)c(O)c1Br ZINC000273727667 211009273 /nfs/dbraw/zinc/00/92/73/211009273.db2.gz NOKUZPRVLHYDGQ-UHFFFAOYSA-N 0 3 312.207 3.056 20 30 DGEDHN C=C1CCN(CCC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000268881592 207050094 /nfs/dbraw/zinc/05/00/94/207050094.db2.gz DKTUMTCDWBTUSM-UHFFFAOYSA-N 0 3 308.809 3.329 20 30 DGEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268923494 207089573 /nfs/dbraw/zinc/08/95/73/207089573.db2.gz KPUHBDHKBQZZNX-KBPBESRZSA-N 0 3 319.408 3.489 20 30 DGEDHN C=CCNC(=O)CN[C@@H]1CCCc2c3ccccc3sc21 ZINC000271932471 209334811 /nfs/dbraw/zinc/33/48/11/209334811.db2.gz KPUYTTLMUPMXAP-CQSZACIVSA-N 0 3 300.427 3.171 20 30 DGEDHN CCN(CC)C(=O)C1(NCc2ccc(C#N)cc2)CCCCC1 ZINC000118847365 194936299 /nfs/dbraw/zinc/93/62/99/194936299.db2.gz GYEJYYHWYBKPKR-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419329720 285040826 /nfs/dbraw/zinc/04/08/26/285040826.db2.gz BJZIVWFGQZYGED-CABCVRRESA-N 0 3 313.445 3.223 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCCCC2(C)C)c(C#N)c1C ZINC000119818629 195042344 /nfs/dbraw/zinc/04/23/44/195042344.db2.gz QQCQYKUJRMMNNX-AWEZNQCLSA-N 0 3 303.406 3.265 20 30 DGEDHN CCCC(=O)NC[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249088299 285053762 /nfs/dbraw/zinc/05/37/62/285053762.db2.gz CIUVFYYQAUPIAK-NVXWUHKLSA-N 0 3 313.445 3.248 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000269992198 208045188 /nfs/dbraw/zinc/04/51/88/208045188.db2.gz RSIYVQODOJRABU-HXUWFJFHSA-N 0 3 306.409 3.331 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000337903650 253191791 /nfs/dbraw/zinc/19/17/91/253191791.db2.gz SLSNWBRZLAFPGG-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000338362557 253272589 /nfs/dbraw/zinc/27/25/89/253272589.db2.gz PWWPBVUHPPPWJK-AWEZNQCLSA-N 0 3 318.380 3.109 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000159088170 197325369 /nfs/dbraw/zinc/32/53/69/197325369.db2.gz KVSWIOKJGYGAPA-QGZVFWFLSA-N 0 3 301.434 3.087 20 30 DGEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000339137300 253413046 /nfs/dbraw/zinc/41/30/46/253413046.db2.gz CEIUMAYKDCUCEN-HNNXBMFYSA-N 0 3 318.783 3.461 20 30 DGEDHN COc1ccc([C@@H](CN2CCCC2)Nc2cc(C#N)ccn2)cc1 ZINC000286478013 219010829 /nfs/dbraw/zinc/01/08/29/219010829.db2.gz LFUTUJDPMGAZNI-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN COCC1(C#N)CCN(CCCOc2c(C)cccc2C)CC1 ZINC000341989033 533112070 /nfs/dbraw/zinc/11/20/70/533112070.db2.gz KVTNJBKEEZOYEG-UHFFFAOYSA-N 0 3 316.445 3.325 20 30 DGEDHN Cc1nsc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000342832952 254061889 /nfs/dbraw/zinc/06/18/89/254061889.db2.gz WIEOTZLVUSAYEX-MLGOLLRUSA-N 0 3 312.442 3.256 20 30 DGEDHN Cc1ccnc(NC[C@H](C)N2CCc3ccccc3C2)c1C#N ZINC000343511820 254153718 /nfs/dbraw/zinc/15/37/18/254153718.db2.gz MKZLATHNVLQFOP-HNNXBMFYSA-N 0 3 306.413 3.120 20 30 DGEDHN Cc1cc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)ccc1C#N ZINC000343384859 254135478 /nfs/dbraw/zinc/13/54/78/254135478.db2.gz KAMSFQJKDIYQHO-HKUYNNGSSA-N 0 3 324.428 3.264 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)CCOc1ccccc1 ZINC000344127390 254229120 /nfs/dbraw/zinc/22/91/20/254229120.db2.gz RZXPKZHIZHOCDO-UHFFFAOYSA-N 0 3 310.397 3.086 20 30 DGEDHN CCCN1CCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000343992596 254210252 /nfs/dbraw/zinc/21/02/52/254210252.db2.gz ZDBMWEOXQJTLPJ-GFCCVEGCSA-N 0 3 312.339 3.258 20 30 DGEDHN COc1cccc(OCCCNCc2ccc(C#N)cc2F)c1 ZINC000344483004 254275765 /nfs/dbraw/zinc/27/57/65/254275765.db2.gz LDRNNAZORAINBI-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN[C@H]2CCOC2)c1 ZINC000344893250 254314288 /nfs/dbraw/zinc/31/42/88/254314288.db2.gz TYCGAACFPPNOKZ-SFHVURJKSA-N 0 3 308.381 3.016 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000371088829 533161643 /nfs/dbraw/zinc/16/16/43/533161643.db2.gz PNHRLWRBWUNNNW-YWZLYKJASA-N 0 3 321.424 3.254 20 30 DGEDHN COc1cc2c(cc1OC)CN(CCCC(C)(C)C#N)CC2 ZINC000172685086 533169375 /nfs/dbraw/zinc/16/93/75/533169375.db2.gz KJBGRTSLXRTXFM-UHFFFAOYSA-N 0 3 302.418 3.392 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152673647 533170494 /nfs/dbraw/zinc/17/04/94/533170494.db2.gz PQTBSHVAPZNLDP-MYTOGIIISA-N 0 3 317.477 3.038 20 30 DGEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)cc1OC ZINC000120848431 195249737 /nfs/dbraw/zinc/24/97/37/195249737.db2.gz IUMCNCQKTFQXNV-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN OC[C@]1(Cc2ccccc2)CCCN1CC#Cc1ccccc1 ZINC000483996884 285295819 /nfs/dbraw/zinc/29/58/19/285295819.db2.gz XBTBYDWUIMACCO-OAQYLSRUSA-N 0 3 305.421 3.108 20 30 DGEDHN COc1cc(CN2CCCCC[C@H]2C[C@@H](C)O)ccc1C#N ZINC000289861066 221274924 /nfs/dbraw/zinc/27/49/24/221274924.db2.gz VJMCHHPMKWTHPM-PBHICJAKSA-N 0 3 302.418 3.082 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC(C)(C)CC1 ZINC000357814499 533238793 /nfs/dbraw/zinc/23/87/93/533238793.db2.gz XLZBJBGPLIXQBA-HNNXBMFYSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](NCC#CCN[C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000341908560 533342141 /nfs/dbraw/zinc/34/21/41/533342141.db2.gz FGOMNUVYTQYXFT-IYBDPMFKSA-N 0 3 324.424 3.103 20 30 DGEDHN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(OCC#N)cc1 ZINC000181563943 533449877 /nfs/dbraw/zinc/44/98/77/533449877.db2.gz ZGEMJXZAEVOQJP-CABCVRRESA-N 0 3 310.397 3.493 20 30 DGEDHN CSC1(CN2CCN([C@H](C#N)c3ccccc3)CC2)CCC1 ZINC000340560188 533480965 /nfs/dbraw/zinc/48/09/65/533480965.db2.gz DZWNQQCPCDXKIP-QGZVFWFLSA-N 0 3 315.486 3.155 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CCc1ccccc1 ZINC000488557724 533501690 /nfs/dbraw/zinc/50/16/90/533501690.db2.gz VEXWYNROZUPHDM-KRWDZBQOSA-N 0 3 302.462 3.364 20 30 DGEDHN COc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433102007 533530084 /nfs/dbraw/zinc/53/00/84/533530084.db2.gz FVUZFSXTRUWNTE-GOSISDBHSA-N 0 3 322.408 3.426 20 30 DGEDHN COc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433102009 533532530 /nfs/dbraw/zinc/53/25/30/533532530.db2.gz FVUZFSXTRUWNTE-SFHVURJKSA-N 0 3 322.408 3.426 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047424 400087836 /nfs/dbraw/zinc/08/78/36/400087836.db2.gz DSKBEPNQJSFMKK-AHIWAGSCSA-N 0 3 320.389 3.235 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccccc2C#N)C1 ZINC000066473455 400093818 /nfs/dbraw/zinc/09/38/18/400093818.db2.gz VHZMNIXXJILXDE-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCSCCN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000595059877 400094569 /nfs/dbraw/zinc/09/45/69/400094569.db2.gz QTUNJQDOQPMNNK-CYBMUJFWSA-N 0 3 304.463 3.306 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303764141 400112877 /nfs/dbraw/zinc/11/28/77/400112877.db2.gz IBDKPAWWETYBHV-RDJZCZTQSA-N 0 3 316.420 3.204 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2OCC3(C)C)nc(C)n1 ZINC000581763930 400083311 /nfs/dbraw/zinc/08/33/11/400083311.db2.gz UUWODYTUPIVSES-AWEZNQCLSA-N 0 3 321.380 3.254 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@@H]2CO)c1 ZINC000092471043 400175486 /nfs/dbraw/zinc/17/54/86/400175486.db2.gz MWHVAOQLJFZAEY-LJQANCHMSA-N 0 3 322.408 3.094 20 30 DGEDHN COCCN(CCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000595296379 400120284 /nfs/dbraw/zinc/12/02/84/400120284.db2.gz CBLLTTSAJSZAQG-UHFFFAOYSA-N 0 3 319.408 3.121 20 30 DGEDHN N#Cc1cccc(OC2CCN(Cc3cccc(N)c3)CC2)c1 ZINC000595303966 400123695 /nfs/dbraw/zinc/12/36/95/400123695.db2.gz SAOKFLYMBAPYKK-UHFFFAOYSA-N 0 3 307.397 3.184 20 30 DGEDHN CN(CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CC(C)(C)C ZINC000608886409 400130756 /nfs/dbraw/zinc/13/07/56/400130756.db2.gz MDMYQHSGOGENHQ-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN N#C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccncc2)CC1 ZINC000595345544 400132278 /nfs/dbraw/zinc/13/22/78/400132278.db2.gz CTKTVMHXQPZPIK-KRWDZBQOSA-N 0 3 312.804 3.122 20 30 DGEDHN N#Cc1ncccc1NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309724975 400132446 /nfs/dbraw/zinc/13/24/46/400132446.db2.gz NJBBZSAJTZRLHJ-QGZVFWFLSA-N 0 3 306.413 3.277 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cnccc1C#N ZINC000091733451 400133973 /nfs/dbraw/zinc/13/39/73/400133973.db2.gz NOMYAVUBEBAFSI-YJBOKZPZSA-N 0 3 306.413 3.276 20 30 DGEDHN CN1CCN(CCc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000595398239 400140459 /nfs/dbraw/zinc/14/04/59/400140459.db2.gz NWUONHBOWKPZBM-HXUWFJFHSA-N 0 3 305.425 3.089 20 30 DGEDHN C=C[C@@H](NC[C@H](c1ccc(Cl)cc1)N(C)CCC)C(=O)OC ZINC000586532529 400147586 /nfs/dbraw/zinc/14/75/86/400147586.db2.gz LUDWLZYHOLPSCU-HZPDHXFCSA-N 0 3 324.852 3.040 20 30 DGEDHN C=C[C@H](NC[C@H](c1ccc(Cl)cc1)N(C)CCC)C(=O)OC ZINC000586532530 400147714 /nfs/dbraw/zinc/14/77/14/400147714.db2.gz LUDWLZYHOLPSCU-JKSUJKDBSA-N 0 3 324.852 3.040 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000319632908 400161426 /nfs/dbraw/zinc/16/14/26/400161426.db2.gz BBZQYMRBFRXRTI-NWDGAFQWSA-N 0 3 306.369 3.140 20 30 DGEDHN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000067346377 400162009 /nfs/dbraw/zinc/16/20/09/400162009.db2.gz VETQWGFWQYBSOX-OAHLLOKOSA-N 0 3 300.793 3.321 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000320214240 400164185 /nfs/dbraw/zinc/16/41/85/400164185.db2.gz YESJAYORSMHDJF-ROUUACIJSA-N 0 3 310.397 3.039 20 30 DGEDHN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000595731600 400245331 /nfs/dbraw/zinc/24/53/31/400245331.db2.gz MNWGPAPJLJUAJQ-GUDVDZBRSA-N 0 3 311.425 3.092 20 30 DGEDHN C=CCC1([NH2+]CC(=O)[N-]c2oc(C)c(C)c2C#N)CCCC1 ZINC000595780660 400256899 /nfs/dbraw/zinc/25/68/99/400256899.db2.gz YLJYTOZTGBYOPX-UHFFFAOYSA-N 0 3 301.390 3.185 20 30 DGEDHN C[C@@H](CNC(=O)c1ccccc1CC#N)N(C)Cc1ccccc1 ZINC000601149813 400249108 /nfs/dbraw/zinc/24/91/08/400249108.db2.gz SJQPAWQJLXEGNA-INIZCTEOSA-N 0 3 321.424 3.003 20 30 DGEDHN CCCOc1ccc(OCCN2CCC[C@H](CC#N)C2)cc1 ZINC000595610141 400204317 /nfs/dbraw/zinc/20/43/17/400204317.db2.gz ROHAKGBMCQAIHV-MRXNPFEDSA-N 0 3 302.418 3.480 20 30 DGEDHN N#Cc1cccc(C(=O)N(CCN2CCCC2)c2ccccc2)c1 ZINC000610051586 400209901 /nfs/dbraw/zinc/20/99/01/400209901.db2.gz XACNHJPIORWBGY-UHFFFAOYSA-N 0 3 319.408 3.301 20 30 DGEDHN C=CCCC[C@@H](C)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595628039 400212180 /nfs/dbraw/zinc/21/21/80/400212180.db2.gz UUUKHQWMRUQQJY-UPJWGTAASA-N 0 3 307.356 3.405 20 30 DGEDHN N#Cc1sccc1N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595636782 400213429 /nfs/dbraw/zinc/21/34/29/400213429.db2.gz JOABETBQIHSZTB-KFWWJZLASA-N 0 3 301.459 3.178 20 30 DGEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000595801380 400264279 /nfs/dbraw/zinc/26/42/79/400264279.db2.gz WIHGGRDGYRPELG-QGZVFWFLSA-N 0 3 323.444 3.160 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N[C@@H](C)CN1CCCCC1 ZINC000610514740 400268095 /nfs/dbraw/zinc/26/80/95/400268095.db2.gz XNVNACAZHDBJCF-HNNXBMFYSA-N 0 3 308.429 3.123 20 30 DGEDHN CN(c1ccccc1)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000595830242 400273982 /nfs/dbraw/zinc/27/39/82/400273982.db2.gz ZOGLNTIJGUSPJL-SFHVURJKSA-N 0 3 309.388 3.408 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc([S@@](C)=O)cc2)c1 ZINC000610575131 400276123 /nfs/dbraw/zinc/27/61/23/400276123.db2.gz FWNZHSWHUNRITJ-JOCHJYFZSA-N 0 3 315.438 3.279 20 30 DGEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000595877883 400284977 /nfs/dbraw/zinc/28/49/77/400284977.db2.gz LDYIDEFFRCXXPM-APWZRJJASA-N 0 3 317.477 3.087 20 30 DGEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H](O)C(F)(F)F ZINC000601301121 400286116 /nfs/dbraw/zinc/28/61/16/400286116.db2.gz RNWUQRSBTBRWTR-LKTVYLICSA-N 0 3 312.335 3.227 20 30 DGEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1=CCSC1 ZINC000595887969 400288193 /nfs/dbraw/zinc/28/81/93/400288193.db2.gz JUCWOASSTXBTLD-UHFFFAOYSA-N 0 3 324.453 3.064 20 30 DGEDHN COc1cccc2c1OC[C@H](N[C@H]1CCc3ccc(C#N)cc31)C2 ZINC000589338772 400289887 /nfs/dbraw/zinc/28/98/87/400289887.db2.gz COVHCLIYSWUNCB-AEFFLSMTSA-N 0 3 320.392 3.147 20 30 DGEDHN N#Cc1cccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c1F ZINC000595910339 400292592 /nfs/dbraw/zinc/29/25/92/400292592.db2.gz PASNJYDSNKEFCH-HDICACEKSA-N 0 3 300.377 3.090 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CC1(C)C ZINC000595911578 400293020 /nfs/dbraw/zinc/29/30/20/400293020.db2.gz YQLKKLBUMUAXOE-JKSUJKDBSA-N 0 3 313.445 3.300 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000595948457 400297219 /nfs/dbraw/zinc/29/72/19/400297219.db2.gz KTCQNCZGZWYQQI-IAGOWNOFSA-N 0 3 305.466 3.217 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000595948459 400297560 /nfs/dbraw/zinc/29/75/60/400297560.db2.gz KTCQNCZGZWYQQI-SJORKVTESA-N 0 3 305.466 3.217 20 30 DGEDHN CC[C@H]1CCCCN1CCNc1nc2ncccc2cc1C#N ZINC000596125476 400324109 /nfs/dbraw/zinc/32/41/09/400324109.db2.gz CIXTYCHURYXRRR-INIZCTEOSA-N 0 3 309.417 3.178 20 30 DGEDHN CC(C)[C@@H]1CN(c2cccc(Br)c2C#N)CCN1C ZINC000589596547 400307104 /nfs/dbraw/zinc/30/71/04/400307104.db2.gz NDRLDDBFQDPFGO-HNNXBMFYSA-N 0 3 322.250 3.097 20 30 DGEDHN C[C@H](CNc1nc2ncccc2cc1C#N)N1CCCC[C@H]1C ZINC000596073915 400309812 /nfs/dbraw/zinc/30/98/12/400309812.db2.gz MROLWFAUYQOIFL-ZIAGYGMSSA-N 0 3 309.417 3.176 20 30 DGEDHN N#CCN1CCC(N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000610812566 400310530 /nfs/dbraw/zinc/31/05/30/400310530.db2.gz BMQRVODSIMLZRT-MRXNPFEDSA-N 0 3 319.836 3.131 20 30 DGEDHN N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CCN(C2CC2)C1 ZINC000596087116 400313592 /nfs/dbraw/zinc/31/35/92/400313592.db2.gz DXBCBQDBGPFMBH-LBPRGKRZSA-N 0 3 314.339 3.033 20 30 DGEDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000611387120 400388461 /nfs/dbraw/zinc/38/84/61/400388461.db2.gz FLTIXLYBCPFVMS-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN N#Cc1ccc(CNCCN2CCCc3ccccc32)c(F)c1 ZINC000610946777 400327261 /nfs/dbraw/zinc/32/72/61/400327261.db2.gz XSNDTXCZFRFHPH-UHFFFAOYSA-N 0 3 309.388 3.240 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000030532749 400328126 /nfs/dbraw/zinc/32/81/26/400328126.db2.gz FGRBSMDZEOTPML-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1cc(C)cc(OC[C@@H](O)CN2CCC(CCC#N)CC2)c1 ZINC000578863964 400332356 /nfs/dbraw/zinc/33/23/56/400332356.db2.gz ZJOQBHUCJPIJPY-SFHVURJKSA-N 0 3 316.445 3.059 20 30 DGEDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1cccc(C#N)c1 ZINC000610987369 400333139 /nfs/dbraw/zinc/33/31/39/400333139.db2.gz ICUYLIUIOGSMHB-KSSFIOAISA-N 0 3 311.429 3.142 20 30 DGEDHN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(CCC#N)CC1 ZINC000579588096 400341048 /nfs/dbraw/zinc/34/10/48/400341048.db2.gz WPDUSHVKVDZLIG-OWCLPIDISA-N 0 3 305.466 3.180 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)NCC#N)C1CCC(C)CC1 ZINC000611393702 400392524 /nfs/dbraw/zinc/39/25/24/400392524.db2.gz PUCLLULHFSSDRK-KJXMEXGPSA-N 0 3 313.445 3.092 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H]1CCN(C(C)(C)C)C1)c1ccccc1 ZINC000617344888 400361107 /nfs/dbraw/zinc/36/11/07/400361107.db2.gz RJJRYEPFSWIDRE-IAGOWNOFSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)Cc2ccc(SC)cc2)CC1 ZINC000111693283 400367569 /nfs/dbraw/zinc/36/75/69/400367569.db2.gz WKNCNLAUDMCVFW-UHFFFAOYSA-N 0 3 318.486 3.265 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](NC(=O)CCCCCC#N)C2)cc1 ZINC000601880073 400370245 /nfs/dbraw/zinc/37/02/45/400370245.db2.gz CIPSKGOEURXQGP-GOSISDBHSA-N 0 3 313.445 3.160 20 30 DGEDHN CC[C@@H](CN1CCCC1)Nc1ncc(Br)cc1C#N ZINC000590690362 400417252 /nfs/dbraw/zinc/41/72/52/400417252.db2.gz SOWBGOSGIPKCFJ-ZDUSSCGKSA-N 0 3 323.238 3.002 20 30 DGEDHN CN(CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC(C)(C)C ZINC000602164144 400420470 /nfs/dbraw/zinc/42/04/70/400420470.db2.gz MGVBJCDAMROPJK-QGZVFWFLSA-N 0 3 313.445 3.030 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CO2 ZINC000590778462 400433493 /nfs/dbraw/zinc/43/34/93/400433493.db2.gz JKWURYRTBKWIFF-APWZRJJASA-N 0 3 320.392 3.147 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000611675935 400436282 /nfs/dbraw/zinc/43/62/82/400436282.db2.gz VCAZKNYZBVLTMT-GOSISDBHSA-N 0 3 315.461 3.453 20 30 DGEDHN CCOc1ccccc1N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602429293 400459666 /nfs/dbraw/zinc/45/96/66/400459666.db2.gz PAOMTBCDTCGNPO-INIZCTEOSA-N 0 3 301.434 3.147 20 30 DGEDHN C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000073455046 400450851 /nfs/dbraw/zinc/45/08/51/400450851.db2.gz ABXAOKAHVDGACL-CZUORRHYSA-N 0 3 319.836 3.285 20 30 DGEDHN N#CC1(NC(=O)c2ccc(CN3CCCC3)cc2)CCCCC1 ZINC000073495267 400452303 /nfs/dbraw/zinc/45/23/03/400452303.db2.gz HSKZGTYPUMXXIV-UHFFFAOYSA-N 0 3 311.429 3.239 20 30 DGEDHN C[C@@H](CNC(=O)CC1(C#N)CCCCC1)N1CCCC[C@@H]1C ZINC000596796439 400502097 /nfs/dbraw/zinc/50/20/97/400502097.db2.gz FKITXWIXFVBBDD-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN CN(C)CCOc1ccc(NC(=O)CCCCCC#N)cc1F ZINC000590922237 400461010 /nfs/dbraw/zinc/46/10/10/400461010.db2.gz QRZOMDBZJKBRKR-UHFFFAOYSA-N 0 3 321.396 3.179 20 30 DGEDHN Cc1cccc(C(=O)N2CCCN(C[C@H](C)CCC#N)CC2)c1 ZINC000602438779 400462484 /nfs/dbraw/zinc/46/24/84/400462484.db2.gz BKKJBJJZIORBCO-QGZVFWFLSA-N 0 3 313.445 3.083 20 30 DGEDHN CCOc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1O ZINC000590962136 400469621 /nfs/dbraw/zinc/46/96/21/400469621.db2.gz NBHFHORGPLMUJQ-QGZVFWFLSA-N 0 3 308.381 3.440 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](c1ccsc1)N(C)C ZINC000602512728 400483662 /nfs/dbraw/zinc/48/36/62/400483662.db2.gz SYBOEFUSWLDNIW-GDBMZVCRSA-N 0 3 321.490 3.039 20 30 DGEDHN Cc1ccccc1CN1CCCN(c2nccc(C)c2C#N)CC1 ZINC000612070443 400485437 /nfs/dbraw/zinc/48/54/37/400485437.db2.gz LMHXKPUMGHIRDV-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN N#Cc1cccc(CNC[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000602519836 400486946 /nfs/dbraw/zinc/48/69/46/400486946.db2.gz BOVKIMVFVDXGOJ-LPHOPBHVSA-N 0 3 307.397 3.211 20 30 DGEDHN CCOc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602521085 400486948 /nfs/dbraw/zinc/48/69/48/400486948.db2.gz LSSSGMKBOBFIOJ-HNNXBMFYSA-N 0 3 302.418 3.274 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000044277054 400487781 /nfs/dbraw/zinc/48/77/81/400487781.db2.gz JHHAEJOOOMKRAI-UHFFFAOYSA-N 0 3 322.412 3.284 20 30 DGEDHN C[C@H](CCC#N)CN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000602618568 400513122 /nfs/dbraw/zinc/51/31/22/400513122.db2.gz ZPORSAISJGDDJY-CXAGYDPISA-N 0 3 300.381 3.178 20 30 DGEDHN C=CC[C@@H](C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602550576 400494370 /nfs/dbraw/zinc/49/43/70/400494370.db2.gz LASYBBJWODPKAJ-SSDOTTSWSA-N 0 3 305.197 3.473 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc2ccccn12 ZINC000591357586 400513403 /nfs/dbraw/zinc/51/34/03/400513403.db2.gz SFJRHFZKASPIEB-GOSISDBHSA-N 0 3 302.381 3.373 20 30 DGEDHN C[C@@](CO)(NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602783921 400571813 /nfs/dbraw/zinc/57/18/13/400571813.db2.gz SVOJDXLARSLSQN-AWEZNQCLSA-N 0 3 312.335 3.196 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597172058 400576820 /nfs/dbraw/zinc/57/68/20/400576820.db2.gz AFIXGQRRIGPVRG-IYBDPMFKSA-N 0 3 305.466 3.230 20 30 DGEDHN COc1ccc2c(c1)CCC[C@@H]2CNCc1cccc(C#N)n1 ZINC000602619703 400514542 /nfs/dbraw/zinc/51/45/42/400514542.db2.gz ZTSOKLPFZPJGEP-OAHLLOKOSA-N 0 3 307.397 3.172 20 30 DGEDHN N#Cc1cccc(CNCC2(CCOCc3ccccc3)CC2)n1 ZINC000602620644 400514559 /nfs/dbraw/zinc/51/45/59/400514559.db2.gz ZEVKJXZJLKIMAH-UHFFFAOYSA-N 0 3 321.424 3.430 20 30 DGEDHN CCO[C@@H](CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602637634 400520193 /nfs/dbraw/zinc/52/01/93/400520193.db2.gz NMDJYULNZSGKKR-AEFFLSMTSA-N 0 3 316.445 3.453 20 30 DGEDHN CO[C@](C)(CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602676445 400536028 /nfs/dbraw/zinc/53/60/28/400536028.db2.gz PXHQCVFIXDOBGG-SJLPKXTDSA-N 0 3 316.445 3.237 20 30 DGEDHN CC(C)c1ccc(C(C)(C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000591607787 400545654 /nfs/dbraw/zinc/54/56/54/400545654.db2.gz NDGSTTHXODRNKN-MRXNPFEDSA-N 0 3 301.434 3.182 20 30 DGEDHN N#Cc1ccc(CCNCc2ccccc2OCCCCO)cc1 ZINC000602706588 400546508 /nfs/dbraw/zinc/54/65/08/400546508.db2.gz QZBLCQAQWQPLBN-UHFFFAOYSA-N 0 3 324.424 3.042 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CNCc1ccc(C#N)c(C)c1 ZINC000618192012 400547349 /nfs/dbraw/zinc/54/73/49/400547349.db2.gz PFRUQFPYMDAUFG-LJQANCHMSA-N 0 3 324.424 3.013 20 30 DGEDHN C=CCCSCCNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000597184296 400580101 /nfs/dbraw/zinc/58/01/01/400580101.db2.gz IZEURTFUIQUHDI-INIZCTEOSA-N 0 3 320.502 3.311 20 30 DGEDHN N#CC1(c2ccc(CN3CCC([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000597084022 400555900 /nfs/dbraw/zinc/55/59/00/400555900.db2.gz XNLLVESKSJMLFW-GOSISDBHSA-N 0 3 310.441 3.490 20 30 DGEDHN COC(=O)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000597128905 400564639 /nfs/dbraw/zinc/56/46/39/400564639.db2.gz JXOPTFVRIATFKZ-UHFFFAOYSA-N 0 3 320.392 3.318 20 30 DGEDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N1CCCCC1 ZINC000075275358 400567631 /nfs/dbraw/zinc/56/76/31/400567631.db2.gz DWBBDGRLNOCFQV-YJBOKZPZSA-N 0 3 313.445 3.246 20 30 DGEDHN Cc1ncc([C@@H](C)NCCCOc2cccc(C#N)c2)s1 ZINC000602958463 400614432 /nfs/dbraw/zinc/61/44/32/400614432.db2.gz XWOMBMYVRJISSI-GFCCVEGCSA-N 0 3 301.415 3.443 20 30 DGEDHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C#N)c1 ZINC000612876322 400621464 /nfs/dbraw/zinc/62/14/64/400621464.db2.gz GQWHBQWUGYYIAO-KXBFYZLASA-N 0 3 306.413 3.276 20 30 DGEDHN CC(C)(C#N)CCCN1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C#N ZINC000602988306 400622356 /nfs/dbraw/zinc/62/23/56/400622356.db2.gz GOBHXMVHLBSVCP-IRXDYDNUSA-N 0 3 316.493 3.405 20 30 DGEDHN N#Cc1cnn2cc(CN3CC[C@H](C4CCCCC4)C3)cnc12 ZINC000597203499 400587416 /nfs/dbraw/zinc/58/74/16/400587416.db2.gz RZODQGVRVVSNFJ-INIZCTEOSA-N 0 3 309.417 3.003 20 30 DGEDHN COc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1OCCCC#N ZINC000597223468 400590810 /nfs/dbraw/zinc/59/08/10/400590810.db2.gz PFPIAHKAJOWHEZ-HOTGVXAUSA-N 0 3 300.402 3.220 20 30 DGEDHN C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000597226736 400592190 /nfs/dbraw/zinc/59/21/90/400592190.db2.gz XLZLZPISWIZEJP-CVEARBPZSA-N 0 3 302.418 3.368 20 30 DGEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)C1(CO)CC1 ZINC000597256086 400601695 /nfs/dbraw/zinc/60/16/95/400601695.db2.gz SJIWMAOQSHNTQV-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3cccc(C)c3)CCC2)CC1 ZINC000592068652 400602025 /nfs/dbraw/zinc/60/20/25/400602025.db2.gz NDRNSPRIXFHINO-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603251828 400660975 /nfs/dbraw/zinc/66/09/75/400660975.db2.gz VXAQZAWIVKYVGG-INIZCTEOSA-N 0 3 311.433 3.173 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC000076871401 400678128 /nfs/dbraw/zinc/67/81/28/400678128.db2.gz MQBAAGORIXUKRT-KRWDZBQOSA-N 0 3 312.392 3.424 20 30 DGEDHN CN(C)Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618787689 400689655 /nfs/dbraw/zinc/68/96/55/400689655.db2.gz LXTZNIKLJHNFDW-IBGZPJMESA-N 0 3 319.408 3.037 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152833831 400684323 /nfs/dbraw/zinc/68/43/23/400684323.db2.gz HGKUZCCAUZAGFV-BNOWGMLFSA-N 0 3 317.820 3.271 20 30 DGEDHN CC1CCC(N(CC(=O)NC2(C#N)CCCCC2)C2CC2)CC1 ZINC000052103854 400718920 /nfs/dbraw/zinc/71/89/20/400718920.db2.gz LYIDKQYYPNVQCH-UHFFFAOYSA-N 0 3 317.477 3.372 20 30 DGEDHN CCOc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1 ZINC000603839626 400721617 /nfs/dbraw/zinc/72/16/17/400721617.db2.gz OKUSOGGGLOKYCY-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000603865087 400726176 /nfs/dbraw/zinc/72/61/76/400726176.db2.gz QQIIWQXOVIJACT-RTBURBONSA-N 0 3 303.409 3.126 20 30 DGEDHN N#Cc1ccccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000592998388 400729421 /nfs/dbraw/zinc/72/94/21/400729421.db2.gz TWQHSERZXLEXLM-RYUDHWBXSA-N 0 3 312.291 3.244 20 30 DGEDHN Cc1ccc(C#N)c(NCC2(N3CCSCC3)CCCC2)n1 ZINC000160565798 400735119 /nfs/dbraw/zinc/73/51/19/400735119.db2.gz HADAKWVAIKJOHK-UHFFFAOYSA-N 0 3 316.474 3.035 20 30 DGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000613540347 400744313 /nfs/dbraw/zinc/74/43/13/400744313.db2.gz LMYXSKVCEOZUJR-DZGCQCFKSA-N 0 3 301.390 3.445 20 30 DGEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051057011 400694490 /nfs/dbraw/zinc/69/44/90/400694490.db2.gz SARLAQLOQXVBJH-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000597948860 400702296 /nfs/dbraw/zinc/70/22/96/400702296.db2.gz PYLXJNFGHQSWNU-QLFBSQMISA-N 0 3 313.445 3.171 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000155867327 400706072 /nfs/dbraw/zinc/70/60/72/400706072.db2.gz RGVAJDABTOEBMQ-QGZVFWFLSA-N 0 3 324.403 3.159 20 30 DGEDHN CC(C)N1CCCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613420559 400714456 /nfs/dbraw/zinc/71/44/56/400714456.db2.gz RRIMBUROKKSBSB-UHFFFAOYSA-N 0 3 300.450 3.171 20 30 DGEDHN CN(C[C@H]1CCCN(C)C1)c1nc(C(C)(C)C)ccc1C#N ZINC000613426575 400716608 /nfs/dbraw/zinc/71/66/08/400716608.db2.gz JWJUFYRAVVZFMN-AWEZNQCLSA-N 0 3 300.450 3.029 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccoc1C)C(C)C ZINC000618915554 400716858 /nfs/dbraw/zinc/71/68/58/400716858.db2.gz HMCMACHARVXPSQ-KRWDZBQOSA-N 0 3 319.449 3.086 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000598401880 400804354 /nfs/dbraw/zinc/80/43/54/400804354.db2.gz YFLVZIDYUBLKFM-RTBURBONSA-N 0 3 321.424 3.279 20 30 DGEDHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598443127 400814175 /nfs/dbraw/zinc/81/41/75/400814175.db2.gz DFRBCFUQRRMBHB-WOFBESPQSA-N 0 3 307.397 3.030 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604920754 400814585 /nfs/dbraw/zinc/81/45/85/400814585.db2.gz IUBSPJOTIXUFHN-SJLPKXTDSA-N 0 3 315.461 3.477 20 30 DGEDHN N#Cc1cnc(N2CCCN(C3CCCC3)CC2)c(Cl)c1 ZINC000077994929 400760238 /nfs/dbraw/zinc/76/02/38/400760238.db2.gz FSSMTMPARXBLMY-UHFFFAOYSA-N 0 3 304.825 3.061 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000598253037 400771069 /nfs/dbraw/zinc/77/10/69/400771069.db2.gz AYNSZULILDTQDY-APWZRJJASA-N 0 3 320.392 3.268 20 30 DGEDHN CC(C)(C)OC(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000613661484 400771255 /nfs/dbraw/zinc/77/12/55/400771255.db2.gz RTXXJHPPMMYUBC-CZUORRHYSA-N 0 3 300.402 3.424 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@H]1c1ccc(O)cc1 ZINC000604484248 400779165 /nfs/dbraw/zinc/77/91/65/400779165.db2.gz IQJCYNBEYSAUBW-SFHVURJKSA-N 0 3 308.381 3.480 20 30 DGEDHN CN(CCNc1ccc(C#N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000053582858 400792976 /nfs/dbraw/zinc/79/29/76/400792976.db2.gz NGZFIXICWGXLGM-UHFFFAOYSA-N 0 3 310.357 3.010 20 30 DGEDHN Cc1cc(C)cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000078380234 400795241 /nfs/dbraw/zinc/79/52/41/400795241.db2.gz GJBKRIALGIFRTI-HNNXBMFYSA-N 0 3 308.385 3.111 20 30 DGEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc2ccccc2c1 ZINC000593613910 400880835 /nfs/dbraw/zinc/88/08/35/400880835.db2.gz NGVMYNVNHHARPK-DYVFJYSZSA-N 0 3 324.380 3.110 20 30 DGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000054424529 400824541 /nfs/dbraw/zinc/82/45/41/400824541.db2.gz BZTSVAPKKUNRQM-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN COc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1C ZINC000598502330 400825986 /nfs/dbraw/zinc/82/59/86/400825986.db2.gz LIWMQCKLFZZXMS-QGZVFWFLSA-N 0 3 322.408 3.392 20 30 DGEDHN Cc1nc([C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)sc1C ZINC000598588654 400837121 /nfs/dbraw/zinc/83/71/21/400837121.db2.gz ANCUFEBXKNKFFA-LSDHHAIUSA-N 0 3 321.490 3.240 20 30 DGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC(C)(C)C#N ZINC000598588102 400837464 /nfs/dbraw/zinc/83/74/64/400837464.db2.gz YOVDPQIUJZLISV-MRXNPFEDSA-N 0 3 319.405 3.106 20 30 DGEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598591922 400838814 /nfs/dbraw/zinc/83/88/14/400838814.db2.gz FSPRGCDCIGEBHE-OLZOCXBDSA-N 0 3 309.479 3.308 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000598595729 400839900 /nfs/dbraw/zinc/83/99/00/400839900.db2.gz GZAMFCFCVFHBMW-KBPBESRZSA-N 0 3 322.836 3.094 20 30 DGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)CC(C)(C)C#N)CCC2 ZINC000598599292 400841297 /nfs/dbraw/zinc/84/12/97/400841297.db2.gz ZGQJIVPPOAFPAJ-GXTWGEPZSA-N 0 3 321.490 3.315 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000598612210 400842953 /nfs/dbraw/zinc/84/29/53/400842953.db2.gz SQTCYQDNVSEKDI-WMZOPIPTSA-N 0 3 304.409 3.090 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000598620549 400845511 /nfs/dbraw/zinc/84/55/11/400845511.db2.gz CDCFWQXKSNETKS-HOTGVXAUSA-N 0 3 322.399 3.272 20 30 DGEDHN N#Cc1ccccc1CN1CCNC[C@@H]1c1ccccc1Cl ZINC000598680478 400856464 /nfs/dbraw/zinc/85/64/64/400856464.db2.gz YHANIOOTWUHZFV-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1 ZINC000055171969 400856496 /nfs/dbraw/zinc/85/64/96/400856496.db2.gz CWMDIIDTNPHQDX-UHFFFAOYSA-N 0 3 302.381 3.093 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCn1cnnc1C1CC1 ZINC000619508372 400857763 /nfs/dbraw/zinc/85/77/63/400857763.db2.gz KCJGZUKZRXHSBG-SFHVURJKSA-N 0 3 321.428 3.084 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN(CC1CC1)C1CCC1 ZINC000619516977 400860183 /nfs/dbraw/zinc/86/01/83/400860183.db2.gz PTVALOGEYZIOBV-UHFFFAOYSA-N 0 3 317.820 3.415 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1nc2cc(Cl)ccc2s1 ZINC000598702674 400861166 /nfs/dbraw/zinc/86/11/66/400861166.db2.gz XJPKHPQFPFYIAX-LLVKDONJSA-N 0 3 323.849 3.340 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(C)C)CC2)CC1 ZINC000174770480 400862191 /nfs/dbraw/zinc/86/21/91/400862191.db2.gz OMTXQEUHPMBGGY-UHFFFAOYSA-N 0 3 307.482 3.105 20 30 DGEDHN COc1ccc2ccccc2c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598715694 400864322 /nfs/dbraw/zinc/86/43/22/400864322.db2.gz SEYFOOIAVSKAEH-HNNXBMFYSA-N 0 3 312.413 3.239 20 30 DGEDHN CC(C)COc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598720487 400864521 /nfs/dbraw/zinc/86/45/21/400864521.db2.gz NSMBWCNIRVHJMQ-MRXNPFEDSA-N 0 3 304.434 3.112 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599064391 400945883 /nfs/dbraw/zinc/94/58/83/400945883.db2.gz MFEHPXCPMKFAJQ-BPGGGUHBSA-N 0 3 310.319 3.203 20 30 DGEDHN Cc1cnc(OC2CCN(CCCCC(C)(C)C#N)CC2)nc1 ZINC000594020082 400950867 /nfs/dbraw/zinc/95/08/67/400950867.db2.gz BJERYFBESXTQOB-UHFFFAOYSA-N 0 3 316.449 3.348 20 30 DGEDHN CC(C)[C@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000181654231 400889390 /nfs/dbraw/zinc/88/93/90/400889390.db2.gz JRBLYDUXZWDHEY-KRWDZBQOSA-N 0 3 323.387 3.014 20 30 DGEDHN C[C@H](CO)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000593677322 400890125 /nfs/dbraw/zinc/89/01/25/400890125.db2.gz YRURNRBOQBMKNS-MRXNPFEDSA-N 0 3 316.445 3.210 20 30 DGEDHN CCSc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000182134766 400891099 /nfs/dbraw/zinc/89/10/99/400891099.db2.gz QQWPCFMILWOLJP-CQSZACIVSA-N 0 3 319.474 3.211 20 30 DGEDHN CC(C)(C)CN(CC(=O)N[C@](C)(C#N)C1CC1)CC(C)(C)C ZINC000182078956 400891383 /nfs/dbraw/zinc/89/13/83/400891383.db2.gz OSYGYOTWNGMFIJ-GOSISDBHSA-N 0 3 307.482 3.189 20 30 DGEDHN CCCN(C)[C@@H](CNC(=O)[C@H](C#N)CC)c1ccc(Cl)cc1 ZINC000593700857 400896501 /nfs/dbraw/zinc/89/65/01/400896501.db2.gz COSRXWYIZOFOFP-BBRMVZONSA-N 0 3 321.852 3.389 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000183210898 400899862 /nfs/dbraw/zinc/89/98/62/400899862.db2.gz FTGCKJDBCWJLIU-HNAYVOBHSA-N 0 3 315.461 3.290 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000619758565 400900494 /nfs/dbraw/zinc/90/04/94/400900494.db2.gz ZXDTUMQERMICQJ-MLGOLLRUSA-N 0 3 309.394 3.179 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CNC1(c2ccccc2)CCCC1 ZINC000183539423 400901107 /nfs/dbraw/zinc/90/11/07/400901107.db2.gz NPYHSTLPMZRFAT-SFHVURJKSA-N 0 3 313.445 3.100 20 30 DGEDHN CCC(C#N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000593735792 400901662 /nfs/dbraw/zinc/90/16/62/400901662.db2.gz XTGLVJUQHRTASV-STQMWFEESA-N 0 3 310.438 3.189 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908777 400902376 /nfs/dbraw/zinc/90/23/76/400902376.db2.gz NTGOMQGAYKELKG-SFHVURJKSA-N 0 3 316.420 3.033 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000183996896 400902369 /nfs/dbraw/zinc/90/23/69/400902369.db2.gz UWOFMQZVUHLJOT-SJORKVTESA-N 0 3 322.452 3.487 20 30 DGEDHN CC[C@H](C#N)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593749103 400903615 /nfs/dbraw/zinc/90/36/15/400903615.db2.gz PUMNGEOXKJSOAC-QZTJIDSGSA-N 0 3 313.445 3.048 20 30 DGEDHN C=C(C)COCCNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598969708 400914754 /nfs/dbraw/zinc/91/47/54/400914754.db2.gz WLAITNAGXWBUKV-UHFFFAOYSA-N 0 3 311.447 3.386 20 30 DGEDHN CN(C)c1c(F)c(F)ccc1CNCCc1ccc(C#N)cc1 ZINC000598982465 400919406 /nfs/dbraw/zinc/91/94/06/400919406.db2.gz VNJSUWQJZHWXKP-UHFFFAOYSA-N 0 3 315.367 3.235 20 30 DGEDHN C=CC(C)(C)CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000598985657 400920582 /nfs/dbraw/zinc/92/05/82/400920582.db2.gz XQGHOOGNNKIFGC-UHFFFAOYSA-N 0 3 308.378 3.304 20 30 DGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1Cl ZINC000599311009 401018793 /nfs/dbraw/zinc/01/87/93/401018793.db2.gz APXHLWVBKXUNHH-UONOGXRCSA-N 0 3 322.836 3.062 20 30 DGEDHN Cc1csc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594103690 400988022 /nfs/dbraw/zinc/98/80/22/400988022.db2.gz GUFZSCYRKFMNES-KBPBESRZSA-N 0 3 318.446 3.067 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000594042268 400960122 /nfs/dbraw/zinc/96/01/22/400960122.db2.gz SLSJMXAGDCHCKV-MRXNPFEDSA-N 0 3 306.381 3.153 20 30 DGEDHN C=C(CNCc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000620756439 400967457 /nfs/dbraw/zinc/96/74/57/400967457.db2.gz AEQLITLKWHYJDW-UHFFFAOYSA-N 0 3 306.409 3.382 20 30 DGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1Cl ZINC000599311007 401018001 /nfs/dbraw/zinc/01/80/01/401018001.db2.gz APXHLWVBKXUNHH-KBPBESRZSA-N 0 3 322.836 3.062 20 30 DGEDHN C=CCCN1CCC(c2c(OC)cc(OC)cc2OC)CC1 ZINC000606896410 400976675 /nfs/dbraw/zinc/97/66/75/400976675.db2.gz WHCCEFXPHIEKJS-UHFFFAOYSA-N 0 3 305.418 3.468 20 30 DGEDHN Cc1ccc(CN[C@H](CC(=O)OC(C)C)C(C)C)cc1C#N ZINC000599454919 401055824 /nfs/dbraw/zinc/05/58/24/401055824.db2.gz YJTZVIMAULWJBD-QGZVFWFLSA-N 0 3 302.418 3.323 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000599452589 401055877 /nfs/dbraw/zinc/05/58/77/401055877.db2.gz UCGCOPCXNBYOCZ-QZTJIDSGSA-N 0 3 308.425 3.434 20 30 DGEDHN CC(C)(C)c1ncc2c(n1)CCN(CCc1ccc(C#N)cc1)C2 ZINC000599526668 401068857 /nfs/dbraw/zinc/06/88/57/401068857.db2.gz PBEFVKCFSBJDAH-UHFFFAOYSA-N 0 3 320.440 3.247 20 30 DGEDHN CSc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594439880 401070250 /nfs/dbraw/zinc/07/02/50/401070250.db2.gz RUALUDPCNSJUBB-LBPRGKRZSA-N 0 3 311.838 3.412 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NC[C@H](O)COc2ccccc2C#N)c1 ZINC000599358447 401033891 /nfs/dbraw/zinc/03/38/91/401033891.db2.gz DEHJQGJKDOUDOV-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000081255039 401043409 /nfs/dbraw/zinc/04/34/09/401043409.db2.gz LGHZERIRAVXLMH-UHFFFAOYSA-N 0 3 324.346 3.075 20 30 DGEDHN COC(=O)[C@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc21 ZINC000599668291 401108285 /nfs/dbraw/zinc/10/82/85/401108285.db2.gz WICZLRPWNQSIGV-KRWDZBQOSA-N 0 3 314.429 3.479 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCCCC#N ZINC000060366563 401111152 /nfs/dbraw/zinc/11/11/52/401111152.db2.gz QJIQZDBUFREKRG-HUUCEWRRSA-N 0 3 309.454 3.448 20 30 DGEDHN CO[C@H](Cc1ccccc1)CN1CCc2c(CC#N)cccc2C1 ZINC000599679195 401113277 /nfs/dbraw/zinc/11/32/77/401113277.db2.gz XGFJWOGTEKFYDX-HXUWFJFHSA-N 0 3 320.436 3.368 20 30 DGEDHN CCC(C)(C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000594594752 401122105 /nfs/dbraw/zinc/12/21/05/401122105.db2.gz RBIYPCDEUXHIFQ-UHFFFAOYSA-N 0 3 308.429 3.417 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000060818482 401135919 /nfs/dbraw/zinc/13/59/19/401135919.db2.gz VPRREWCMCDCRLU-UHFFFAOYSA-N 0 3 311.381 3.312 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C)c(F)c2F)nc(C)n1 ZINC000633900300 401141307 /nfs/dbraw/zinc/14/13/07/401141307.db2.gz PCGHMUWLUZPBOV-GFCCVEGCSA-N 0 3 301.296 3.170 20 30 DGEDHN COc1cccc([C@@H](CNc2ccc(C#N)cc2F)N(C)C)c1 ZINC000059259987 401090270 /nfs/dbraw/zinc/09/02/70/401090270.db2.gz PQTWTIRNURCGRP-GOSISDBHSA-N 0 3 313.376 3.421 20 30 DGEDHN C=CCC1(NCc2[nH]nc(C)c2C(=O)OCC)CCCCC1 ZINC000599609093 401090494 /nfs/dbraw/zinc/09/04/94/401090494.db2.gz FEKGXVLCBDSCDJ-UHFFFAOYSA-N 0 3 305.422 3.263 20 30 DGEDHN C[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000594516288 401092341 /nfs/dbraw/zinc/09/23/41/401092341.db2.gz XPBJHGRVMTUPMX-NWDGAFQWSA-N 0 3 306.381 3.326 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1cccc(C)c1)C(C)C ZINC000599626396 401093522 /nfs/dbraw/zinc/09/35/22/401093522.db2.gz FNKXXONAJPHPGS-VQIMIIECSA-N 0 3 315.461 3.290 20 30 DGEDHN Cc1cccc([C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599627425 401095232 /nfs/dbraw/zinc/09/52/32/401095232.db2.gz MKHSFZVBCWXTKQ-OALUTQOASA-N 0 3 315.461 3.336 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C)CC1 ZINC000063302737 401188465 /nfs/dbraw/zinc/18/84/65/401188465.db2.gz SMDZCZNCJPNDHL-IAGOWNOFSA-N 0 3 313.445 3.444 20 30 DGEDHN C=CCC1(NCC(=O)Nc2nnc(C(C)C)s2)CCCCC1 ZINC000625935180 401259469 /nfs/dbraw/zinc/25/94/69/401259469.db2.gz QGFCSKMBCRRUIH-UHFFFAOYSA-N 0 3 322.478 3.469 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC000630843777 401339857 /nfs/dbraw/zinc/33/98/57/401339857.db2.gz RTMBFDUBQNSPSD-UHFFFAOYSA-N 0 3 324.468 3.392 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@](C)(CC)CO)cc1OC ZINC000623399303 401508755 /nfs/dbraw/zinc/50/87/55/401508755.db2.gz FWTUTNTWBYACOE-INIZCTEOSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC[C@@](C)(O)CC)cc1OC ZINC000623407948 401510455 /nfs/dbraw/zinc/51/04/55/401510455.db2.gz AVBNIJNMKNWXOJ-INIZCTEOSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCC2(C)COC2)cc1OC ZINC000623417865 401512799 /nfs/dbraw/zinc/51/27/99/401512799.db2.gz USKCQCYMRVAEOE-UHFFFAOYSA-N 0 3 311.809 3.040 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000631627971 401518236 /nfs/dbraw/zinc/51/82/36/401518236.db2.gz DXJBYTMZDSCKQL-SJLPKXTDSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)CC(C)(C)O)cc1OC ZINC000628175593 401542383 /nfs/dbraw/zinc/54/23/83/401542383.db2.gz CRLDTAGGBZMKGX-UHFFFAOYSA-N 0 3 313.825 3.116 20 30 DGEDHN CCO[C@H]1C[C@@](CO)(NCCC2(C#N)CCCCC2)C1(C)C ZINC000411615768 286501375 /nfs/dbraw/zinc/50/13/75/286501375.db2.gz SCMPEUGVMDXZDV-YJBOKZPZSA-N 0 3 308.466 3.006 20 30 DGEDHN CC[C@@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(C#N)cc1 ZINC000296659108 286926884 /nfs/dbraw/zinc/92/68/84/286926884.db2.gz ZQENHNUZSBFLNM-SJORKVTESA-N 0 3 301.434 3.102 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)c1cccc(Cl)c1 ZINC001628359643 1194174210 /nfs/dbraw/zinc/17/42/10/1194174210.db2.gz AISKSYHLTXRPQW-MRXNPFEDSA-N 0 3 321.852 3.045 20 30 DGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000186115258 165027655 /nfs/dbraw/zinc/02/76/55/165027655.db2.gz URHSKKOYTXRLIA-UFYCRDLUSA-N 0 3 322.408 3.273 20 30 DGEDHN N#Cc1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186592544 165052455 /nfs/dbraw/zinc/05/24/55/165052455.db2.gz AGUYXOACGLLVRA-UHFFFAOYSA-N 0 3 324.399 3.267 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186683400 165054606 /nfs/dbraw/zinc/05/46/06/165054606.db2.gz NAVMTGFHKPCIMX-FQEVSTJZSA-N 0 3 320.392 3.068 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186683378 165054784 /nfs/dbraw/zinc/05/47/84/165054784.db2.gz NAVMTGFHKPCIMX-HXUWFJFHSA-N 0 3 320.392 3.068 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000191498758 165254681 /nfs/dbraw/zinc/25/46/81/165254681.db2.gz WVBWJMMRRZEXDI-GOSISDBHSA-N 0 3 312.388 3.387 20 30 DGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269090464 432152536 /nfs/dbraw/zinc/15/25/36/432152536.db2.gz BYUROMBFVPOANZ-ZDUSSCGKSA-N 0 3 320.824 3.017 20 30 DGEDHN C[C@@H](O)C[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000269417006 432171771 /nfs/dbraw/zinc/17/17/71/432171771.db2.gz KRYPMMZUQQCWHT-KDOFPFPSSA-N 0 3 312.388 3.342 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)NCCCCC#N)c1ccccc1 ZINC000171729213 432164476 /nfs/dbraw/zinc/16/44/76/432164476.db2.gz ZEYSSKSHEJHSIP-QGZVFWFLSA-N 0 3 316.449 3.063 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000171725479 432165735 /nfs/dbraw/zinc/16/57/35/432165735.db2.gz SDQNEUXANVRTQS-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C)n(C(C)C)c2C)CC1 ZINC000171726644 432165744 /nfs/dbraw/zinc/16/57/44/432165744.db2.gz UGXKGPPBEDCAET-UHFFFAOYSA-N 0 3 303.450 3.066 20 30 DGEDHN COc1cccc(O[C@@H](C)CNCc2ccc(C#N)cc2F)c1 ZINC000269422068 432170753 /nfs/dbraw/zinc/17/07/53/432170753.db2.gz LZLLQJHOFLMKNX-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC000171811702 432173233 /nfs/dbraw/zinc/17/32/33/432173233.db2.gz IXZHHIVARWNDLD-UHFFFAOYSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000190729821 432185019 /nfs/dbraw/zinc/18/50/19/432185019.db2.gz KAAJVMOPXQNDRY-IBGZPJMESA-N 0 3 315.461 3.369 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190941770 432203623 /nfs/dbraw/zinc/20/36/23/432203623.db2.gz XOTIDAYVLYELRS-CQSZACIVSA-N 0 3 303.321 3.128 20 30 DGEDHN N#Cc1csc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247291224 432220618 /nfs/dbraw/zinc/22/06/18/432220618.db2.gz ZDHNVVUTPMWOBQ-WMLDXEAASA-N 0 3 301.459 3.068 20 30 DGEDHN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104704799 226900123 /nfs/dbraw/zinc/90/01/23/226900123.db2.gz UGZMMKTVNADPCQ-GUYCJALGSA-N 0 3 317.408 3.017 20 30 DGEDHN Cc1ccccc1[C@H](C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000159388377 228241546 /nfs/dbraw/zinc/24/15/46/228241546.db2.gz JVWSFTFHHGOGHC-INIZCTEOSA-N 0 3 313.445 3.331 20 30 DGEDHN C[C@H](c1cccnc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000174864356 228294722 /nfs/dbraw/zinc/29/47/22/228294722.db2.gz FLGMRZKSEFKYFC-MRXNPFEDSA-N 0 3 300.450 3.090 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CCN(CC2CCC2)CC1 ZINC000173596037 228282531 /nfs/dbraw/zinc/28/25/31/228282531.db2.gz HFYGPEXCRKSVTF-UHFFFAOYSA-N 0 3 306.413 3.029 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000185777587 228396866 /nfs/dbraw/zinc/39/68/66/228396866.db2.gz XHNVZFBYNBLCDY-AAEUAGOBSA-N 0 3 313.323 3.195 20 30 DGEDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cnn1CCC(C)C ZINC000331268242 229026757 /nfs/dbraw/zinc/02/67/57/229026757.db2.gz KKNOUJYMDXLNSK-DZGCQCFKSA-N 0 3 306.454 3.025 20 30 DGEDHN Cc1csc([C@H](C)NC(=O)NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000331328361 229028829 /nfs/dbraw/zinc/02/88/29/229028829.db2.gz PWTMQINEOCIERD-QWHCGFSZSA-N 0 3 324.494 3.137 20 30 DGEDHN COCC1(C#N)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000342002895 229106785 /nfs/dbraw/zinc/10/67/85/229106785.db2.gz XZFGQSPUGKGNAZ-UHFFFAOYSA-N 0 3 311.429 3.240 20 30 DGEDHN N#CCCn1cc(CN[C@H]2C[C@H]2C(F)F)c(-c2ccccc2)n1 ZINC000342191121 229109294 /nfs/dbraw/zinc/10/92/94/229109294.db2.gz KJURTWVSEYHWBQ-CABCVRRESA-N 0 3 316.355 3.207 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(-c3cnco3)cc2)nc(C)n1 ZINC000342847659 229118735 /nfs/dbraw/zinc/11/87/35/229118735.db2.gz AXLJGRUMXOOJTC-HNNXBMFYSA-N 0 3 318.336 3.239 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000338316772 229063243 /nfs/dbraw/zinc/06/32/43/229063243.db2.gz RGMIUUSWTHUBAE-OLZOCXBDSA-N 0 3 306.793 3.117 20 30 DGEDHN Cc1ccnc(OC2CCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000343757221 229129368 /nfs/dbraw/zinc/12/93/68/229129368.db2.gz NSOFVIMMPLBVSI-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN CC(C#N)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000344390873 229136423 /nfs/dbraw/zinc/13/64/23/229136423.db2.gz SRMLHKAHIKCQBQ-IINYFYTJSA-N 0 3 302.424 3.443 20 30 DGEDHN Cc1cccc(COc2ccc(CNC(=O)C(C)C#N)cc2)c1 ZINC000345807715 229157979 /nfs/dbraw/zinc/15/79/79/229157979.db2.gz AOGSJEGKCKMYQB-OAHLLOKOSA-N 0 3 308.381 3.350 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OCC(C)C ZINC000345845957 229158608 /nfs/dbraw/zinc/15/86/08/229158608.db2.gz NNTICNNOVALFNG-QWHCGFSZSA-N 0 3 304.390 3.067 20 30 DGEDHN N#CC1(NC(=O)CN[C@@H](CC2CCC2)c2ccccc2)CCC1 ZINC000346943689 229178666 /nfs/dbraw/zinc/17/86/66/229178666.db2.gz LYFKEDKMJZIHSS-KRWDZBQOSA-N 0 3 311.429 3.070 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000347062083 229179822 /nfs/dbraw/zinc/17/98/22/229179822.db2.gz GHLIGGJTZDGZHZ-ZDUSSCGKSA-N 0 3 312.344 3.181 20 30 DGEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000347127788 229182121 /nfs/dbraw/zinc/18/21/21/229182121.db2.gz FRJFXIDUDYOZOV-ZDUSSCGKSA-N 0 3 322.368 3.106 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000347078835 229182315 /nfs/dbraw/zinc/18/23/15/229182315.db2.gz VLRDXSDAPALJLN-HNNXBMFYSA-N 0 3 308.381 3.179 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000349793196 229218107 /nfs/dbraw/zinc/21/81/07/229218107.db2.gz UVKHBXDNEMXLLY-YGRLFVJLSA-N 0 3 321.218 3.166 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000355844560 229319482 /nfs/dbraw/zinc/31/94/82/229319482.db2.gz AIJJDYRLZVXWPT-LLVKDONJSA-N 0 3 305.447 3.306 20 30 DGEDHN COCC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000356750471 229340967 /nfs/dbraw/zinc/34/09/67/229340967.db2.gz ZISUTDINTAXXIW-RNCFNFMXSA-N 0 3 315.200 3.347 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc(C#N)cc1F ZINC000413166576 230143919 /nfs/dbraw/zinc/14/39/19/230143919.db2.gz GYMYKZHRFJXEGT-KDOFPFPSSA-N 0 3 324.403 3.415 20 30 DGEDHN Cc1cc(NC[C@@H]2CCCCN2C2CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413273723 230174829 /nfs/dbraw/zinc/17/48/29/230174829.db2.gz YWHZPJCTFDNAPM-HNNXBMFYSA-N 0 3 314.389 3.204 20 30 DGEDHN C[C@@H](NCc1ccc(Br)cc1C#N)[C@H]1CCCOC1 ZINC000347255948 264184713 /nfs/dbraw/zinc/18/47/13/264184713.db2.gz VTHPDTBEMAUEJG-YPMHNXCESA-N 0 3 323.234 3.225 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1ncc(C#N)cc1Cl ZINC000347753826 264278508 /nfs/dbraw/zinc/27/85/08/264278508.db2.gz MCSCGJPWXJFQIG-UHFFFAOYSA-N 0 3 314.820 3.175 20 30 DGEDHN CC[C@@H](CO)N(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000348176349 264357286 /nfs/dbraw/zinc/35/72/86/264357286.db2.gz UUGZDVFIYYGXOY-INIZCTEOSA-N 0 3 300.427 3.393 20 30 DGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047453328 270003277 /nfs/dbraw/zinc/00/32/77/270003277.db2.gz ZTZXCUMYQOTXTR-CQSZACIVSA-N 0 3 323.396 3.026 20 30 DGEDHN CCOc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000359963148 270004248 /nfs/dbraw/zinc/00/42/48/270004248.db2.gz JKZUMYJEHGJFCB-CYBMUJFWSA-N 0 3 313.401 3.155 20 30 DGEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000359538808 270004362 /nfs/dbraw/zinc/00/43/62/270004362.db2.gz HYVRQGKXBONJSD-XJKSGUPXSA-N 0 3 311.385 3.010 20 30 DGEDHN COc1ccc([C@H](CCO)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353262984 265367131 /nfs/dbraw/zinc/36/71/31/265367131.db2.gz FMWDUNRCDWSDJG-PMACEKPBSA-N 0 3 322.408 3.267 20 30 DGEDHN C#CC[C@@H](NCc1cnc2c(c1)c(C)nn2C)c1ccccc1 ZINC000270177455 432230489 /nfs/dbraw/zinc/23/04/89/432230489.db2.gz IOZKMHZHKHLQAB-GOSISDBHSA-N 0 3 304.397 3.131 20 30 DGEDHN C=CCCCCCN(C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000151234348 432231389 /nfs/dbraw/zinc/23/13/89/432231389.db2.gz IRRDYOYANYNOCQ-ZDUSSCGKSA-N 0 3 306.372 3.218 20 30 DGEDHN N#Cc1cccc(CNCCOc2cccc(C(F)(F)F)n2)c1 ZINC000270327352 432231931 /nfs/dbraw/zinc/23/19/31/432231931.db2.gz ZZUSVZIMRMNATG-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@]2(CO)Cc2ccccc2)c(F)c1 ZINC000355352304 266046593 /nfs/dbraw/zinc/04/65/93/266046593.db2.gz NGMLHIMHHGIPEB-FQEVSTJZSA-N 0 3 324.399 3.267 20 30 DGEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCC1 ZINC000361481495 266106551 /nfs/dbraw/zinc/10/65/51/266106551.db2.gz NPMURMIGZMDMOM-UHFFFAOYSA-N 0 3 305.809 3.272 20 30 DGEDHN CN(C)CCOc1cccc(NCc2ccc(C#N)cc2F)c1 ZINC000355569430 266118186 /nfs/dbraw/zinc/11/81/86/266118186.db2.gz QNXIJCJCNYSQNP-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN CC[C@H](C)[C@H](C)N(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000355818376 266196369 /nfs/dbraw/zinc/19/63/69/266196369.db2.gz IJSSHVSPMGHTHG-GJZGRUSLSA-N 0 3 313.445 3.073 20 30 DGEDHN CCOC[C@@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359861126 266283463 /nfs/dbraw/zinc/28/34/63/266283463.db2.gz NOHXPFGOCWKPOE-YWZLYKJASA-N 0 3 324.424 3.273 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)CCOc2ccccc2C#N)C12CCC2 ZINC000357796052 266291605 /nfs/dbraw/zinc/29/16/05/266291605.db2.gz JFLHTZJSGNSXDR-QZTJIDSGSA-N 0 3 314.429 3.217 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000349706478 266353965 /nfs/dbraw/zinc/35/39/65/266353965.db2.gz LMESAQMNNJFZAQ-MRXNPFEDSA-N 0 3 315.461 3.275 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374857267 267001336 /nfs/dbraw/zinc/00/13/36/267001336.db2.gz NAWFJBXOUYYBPT-LIRRHRJNSA-N 0 3 310.372 3.352 20 30 DGEDHN CCC[C@@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000501139667 267030087 /nfs/dbraw/zinc/03/00/87/267030087.db2.gz CDDRVGIGIAPFSM-OAHLLOKOSA-N 0 3 308.429 3.417 20 30 DGEDHN CCN(Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519918180 267069735 /nfs/dbraw/zinc/06/97/35/267069735.db2.gz FZTRYSVXXZCCNK-LJQANCHMSA-N 0 3 324.424 3.129 20 30 DGEDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000367882309 267092787 /nfs/dbraw/zinc/09/27/87/267092787.db2.gz YAYFOIGRWLBVGQ-ZMYBRWDISA-N 0 3 307.397 3.070 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000404177363 267156084 /nfs/dbraw/zinc/15/60/84/267156084.db2.gz ZNPRMVVCFCBAET-OAHLLOKOSA-N 0 3 311.404 3.307 20 30 DGEDHN C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1cnccn1 ZINC000358138232 267179540 /nfs/dbraw/zinc/17/95/40/267179540.db2.gz HZTHJMOLIRMCMA-OOHWJJMZSA-N 0 3 322.412 3.389 20 30 DGEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)Nc1ccccc1C#N ZINC000348302381 267180355 /nfs/dbraw/zinc/18/03/55/267180355.db2.gz ABFUIIQOSRBOEQ-LBPRGKRZSA-N 0 3 313.426 3.472 20 30 DGEDHN CC[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(C#N)cc1 ZINC000516846936 267195477 /nfs/dbraw/zinc/19/54/77/267195477.db2.gz BHTRCQAPKCLNLE-LJQANCHMSA-N 0 3 319.408 3.085 20 30 DGEDHN C[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000352407500 267213802 /nfs/dbraw/zinc/21/38/02/267213802.db2.gz UTPPDXVHAJWZED-MAUKXSAKSA-N 0 3 311.429 3.176 20 30 DGEDHN CN(C)[C@@H](CNc1ncc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000514598605 267285920 /nfs/dbraw/zinc/28/59/20/267285920.db2.gz WCQJINCCXBPUDX-QGZVFWFLSA-N 0 3 320.440 3.027 20 30 DGEDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C#N)cn1 ZINC000399609369 267301737 /nfs/dbraw/zinc/30/17/37/267301737.db2.gz XRMNCQLBUWUHDO-VQIMIIECSA-N 0 3 320.440 3.149 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357536440 267327661 /nfs/dbraw/zinc/32/76/61/267327661.db2.gz PAEISZPHCDQOOB-SWLSCSKDSA-N 0 3 324.403 3.013 20 30 DGEDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccccc2C#N)on1 ZINC000505847738 268020799 /nfs/dbraw/zinc/02/07/99/268020799.db2.gz FKFPEAXGRKHMNC-MRXNPFEDSA-N 0 3 324.384 3.020 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000371795514 268074230 /nfs/dbraw/zinc/07/42/30/268074230.db2.gz HRDLDILWKPOAOT-ZDUSSCGKSA-N 0 3 315.804 3.421 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000348522385 268076256 /nfs/dbraw/zinc/07/62/56/268076256.db2.gz XCYFBRALQMJGDO-QWHCGFSZSA-N 0 3 300.736 3.462 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000404170408 268076269 /nfs/dbraw/zinc/07/62/69/268076269.db2.gz XPKRXSADXFQGLE-SFHVURJKSA-N 0 3 309.388 3.061 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N(CC3CC3)C3CCC3)C2=O)cc1 ZINC000361585438 268113629 /nfs/dbraw/zinc/11/36/29/268113629.db2.gz IMMGQYPSWNJMTQ-IBGZPJMESA-N 0 3 323.440 3.318 20 30 DGEDHN N#Cc1ccc(CN2CCN(CC3CCCCC3)CC2)c(F)c1 ZINC000520849969 268220994 /nfs/dbraw/zinc/22/09/94/268220994.db2.gz AQYOAYFVVNQETO-UHFFFAOYSA-N 0 3 315.436 3.395 20 30 DGEDHN N#Cc1cccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1F ZINC000352010033 268247686 /nfs/dbraw/zinc/24/76/86/268247686.db2.gz YKEIEALKSDLKKV-GOSISDBHSA-N 0 3 321.399 3.334 20 30 DGEDHN Cc1ccc(NC(=O)c2ccc(CC#N)cc2)c(CN(C)C)c1 ZINC000270386457 432240607 /nfs/dbraw/zinc/24/06/07/432240607.db2.gz AQTRJWRTJMOAFO-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC=C(C(C)(C)C)CC2)CC1 ZINC000270433883 432245806 /nfs/dbraw/zinc/24/58/06/432245806.db2.gz XGOGQHJTZKDCIZ-UHFFFAOYSA-N 0 3 305.466 3.025 20 30 DGEDHN C[C@@H](NCCN1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000173987913 274247394 /nfs/dbraw/zinc/24/73/94/274247394.db2.gz MRMGCZJCMVLPBU-CQSZACIVSA-N 0 3 311.454 3.329 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N3CCN(C4CCCC4)CC3)c2c1 ZINC000487914673 274785599 /nfs/dbraw/zinc/78/55/99/274785599.db2.gz KTZOKBSUNNNTHB-UHFFFAOYSA-N 0 3 320.440 3.480 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000268953119 274809169 /nfs/dbraw/zinc/80/91/69/274809169.db2.gz WASWICHFZRGJFE-MRXNPFEDSA-N 0 3 306.413 3.145 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000367300440 275388096 /nfs/dbraw/zinc/38/80/96/275388096.db2.gz MXUZJGDRQYIPIM-LJQANCHMSA-N 0 3 304.393 3.255 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)N1CCCCC1 ZINC000328690851 276011042 /nfs/dbraw/zinc/01/10/42/276011042.db2.gz IOPFOWDLDJKRIG-GDBMZVCRSA-N 0 3 321.465 3.495 20 30 DGEDHN CCC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000466463684 276028634 /nfs/dbraw/zinc/02/86/34/276028634.db2.gz GRRXMPIKURWONR-JKSUJKDBSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(C)[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCN1C ZINC000487060313 276032918 /nfs/dbraw/zinc/03/29/18/276032918.db2.gz KHPDKNSCFKPGGK-OAHLLOKOSA-N 0 3 311.351 3.353 20 30 DGEDHN CN(CC1CCN([C@H]2CC[C@H](C#N)C2)CC1)C(=O)OC(C)(C)C ZINC000496684636 276829039 /nfs/dbraw/zinc/82/90/39/276829039.db2.gz LBZCWYTWLWTFAL-HOTGVXAUSA-N 0 3 321.465 3.258 20 30 DGEDHN C=CCC1(NC(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000457608230 276882952 /nfs/dbraw/zinc/88/29/52/276882952.db2.gz XFSMDZMPMIVARC-UHFFFAOYSA-N 0 3 305.466 3.191 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000271530562 276888546 /nfs/dbraw/zinc/88/85/46/276888546.db2.gz XFAMXMJYQYOQOO-OAHLLOKOSA-N 0 3 319.474 3.245 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC2(CC2)C1)C(C)C ZINC000473885600 276891180 /nfs/dbraw/zinc/89/11/80/276891180.db2.gz NRJWFNMTZMNROR-KRWDZBQOSA-N 0 3 319.493 3.271 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683694 277120530 /nfs/dbraw/zinc/12/05/30/277120530.db2.gz BBCVBYHJPSPLHW-STQMWFEESA-N 0 3 306.372 3.199 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC12CCN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000496335449 277181632 /nfs/dbraw/zinc/18/16/32/277181632.db2.gz ASVPVUBTQDWLLB-CABCVRRESA-N 0 3 319.449 3.154 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC12CCN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000496335476 277181637 /nfs/dbraw/zinc/18/16/37/277181637.db2.gz ASVPVUBTQDWLLB-HUUCEWRRSA-N 0 3 319.449 3.154 20 30 DGEDHN CNC(=O)CC[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000286459664 277227934 /nfs/dbraw/zinc/22/79/34/277227934.db2.gz MXRQXFXCUDKUKY-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN COC(=O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]1C(C)C ZINC000429391740 277393324 /nfs/dbraw/zinc/39/33/24/277393324.db2.gz DZKVMTCKJCKYCI-IRXDYDNUSA-N 0 3 319.832 3.211 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(SC)CCC1)C(C)C ZINC000426417426 277847849 /nfs/dbraw/zinc/84/78/49/277847849.db2.gz AZIIEOZKZFCYNM-HNNXBMFYSA-N 0 3 310.507 3.087 20 30 DGEDHN C[C@H](C(=O)N[C@H]1CCC(=O)NC12CCC2)N1CCCCCC1 ZINC000328744271 278132311 /nfs/dbraw/zinc/13/23/11/278132311.db2.gz NVZLPJHUYXLKGG-KGLIPLIRSA-N 0 3 307.438 3.249 20 30 DGEDHN C[C@H](Cc1cnccn1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000453157625 279384047 /nfs/dbraw/zinc/38/40/47/279384047.db2.gz ZLCVYDGEIDYXKC-CYBMUJFWSA-N 0 3 319.330 3.068 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H](c2ccco2)N(C)C)cc1 ZINC000113313160 431341695 /nfs/dbraw/zinc/34/16/95/431341695.db2.gz DWSAALGJGJHNHK-SFHVURJKSA-N 0 3 312.413 3.074 20 30 DGEDHN Cn1cccc1[C@H]1CCCN1CCC(=O)Nc1ccccc1C#N ZINC000074022136 431394202 /nfs/dbraw/zinc/39/42/02/431394202.db2.gz WXQQENAYLTXEHO-GOSISDBHSA-N 0 3 322.412 3.062 20 30 DGEDHN Cc1cccc(N2CCN(CCCSCC#N)CC2)c1C ZINC000074981494 431444901 /nfs/dbraw/zinc/44/49/01/431444901.db2.gz VRMLLZHSXQDGEQ-UHFFFAOYSA-N 0 3 303.475 3.072 20 30 DGEDHN N#CCSCCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000074990138 431448968 /nfs/dbraw/zinc/44/89/68/431448968.db2.gz ZFWYHWPOBHHGGH-HNNXBMFYSA-N 0 3 318.442 3.242 20 30 DGEDHN CC(C)[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000115596843 431462642 /nfs/dbraw/zinc/46/26/42/431462642.db2.gz FABBWWRQAVFQDZ-OALUTQOASA-N 0 3 321.424 3.114 20 30 DGEDHN CC(C)[C@@H](CNCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000115629675 431465869 /nfs/dbraw/zinc/46/58/69/431465869.db2.gz RSKKQJNMARRGMS-MRXNPFEDSA-N 0 3 317.433 3.197 20 30 DGEDHN N#Cc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000075801991 431499932 /nfs/dbraw/zinc/49/99/32/431499932.db2.gz GFMHIWOORBSGPW-HXUWFJFHSA-N 0 3 305.425 3.485 20 30 DGEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](N)CCCC#N ZINC000424126013 280158216 /nfs/dbraw/zinc/15/82/16/280158216.db2.gz OKNIVJZNYLIFFV-ROUUACIJSA-N 0 3 315.461 3.186 20 30 DGEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](N)CCCC#N ZINC000424126014 280158279 /nfs/dbraw/zinc/15/82/79/280158279.db2.gz OKNIVJZNYLIFFV-ZWKOTPCHSA-N 0 3 315.461 3.186 20 30 DGEDHN CC[C@@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431364 280190231 /nfs/dbraw/zinc/19/02/31/280190231.db2.gz QLUGGBXFLDCUTO-WOJBJXKFSA-N 0 3 305.425 3.486 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383309 431591713 /nfs/dbraw/zinc/59/17/13/431591713.db2.gz FOUFDHUPDHFHLD-UHFFFAOYSA-N 0 3 321.424 3.282 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)N(C)C)cc1 ZINC000027595963 431691466 /nfs/dbraw/zinc/69/14/66/431691466.db2.gz SFZDQKPDVRUFJJ-IBGZPJMESA-N 0 3 321.424 3.153 20 30 DGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000078800875 431711808 /nfs/dbraw/zinc/71/18/08/431711808.db2.gz XPHWPIAGWAIBRE-LBPRGKRZSA-N 0 3 320.824 3.017 20 30 DGEDHN C#CCN1CCC(C(=O)NCC(C)(C)C2CCCCC2)CC1 ZINC000120583904 431730084 /nfs/dbraw/zinc/73/00/84/431730084.db2.gz LXUJQJUALZBQAP-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCOc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cc1 ZINC000120845032 431737247 /nfs/dbraw/zinc/73/72/47/431737247.db2.gz AXHGPCLJILBNQP-UHFFFAOYSA-N 0 3 322.408 3.321 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000031173142 431752726 /nfs/dbraw/zinc/75/27/26/431752726.db2.gz RCZZBZHABOBPKT-QGZVFWFLSA-N 0 3 308.381 3.220 20 30 DGEDHN N#Cc1csc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 ZINC000084084423 431814234 /nfs/dbraw/zinc/81/42/34/431814234.db2.gz CLFULEOKSQPANA-HNNXBMFYSA-N 0 3 323.421 3.245 20 30 DGEDHN N#CCSCCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000080627450 431771420 /nfs/dbraw/zinc/77/14/20/431771420.db2.gz BNRYNXSAHONNJO-QGZVFWFLSA-N 0 3 304.459 3.314 20 30 DGEDHN CCOc1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122694381 431841707 /nfs/dbraw/zinc/84/17/07/431841707.db2.gz NQATZSZUUSFOCC-CQSZACIVSA-N 0 3 319.364 3.462 20 30 DGEDHN C=CCN1CCC(NC(=O)N([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000086394672 431845244 /nfs/dbraw/zinc/84/52/44/431845244.db2.gz PXOWGQOFJWZFQS-AWEZNQCLSA-N 0 3 317.433 3.165 20 30 DGEDHN COCCN(C)CC[C@@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000122815940 431845361 /nfs/dbraw/zinc/84/53/61/431845361.db2.gz SPDDXZSJWMUJLK-GOSISDBHSA-N 0 3 324.428 3.075 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(F)cc(F)c1 ZINC000123444245 431864971 /nfs/dbraw/zinc/86/49/71/431864971.db2.gz FPZCRSNRSORMFD-CYBMUJFWSA-N 0 3 311.291 3.342 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000122325298 431828068 /nfs/dbraw/zinc/82/80/68/431828068.db2.gz PHOGTLDNUVQLFX-CYBMUJFWSA-N 0 3 303.324 3.344 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648557 431910834 /nfs/dbraw/zinc/91/08/34/431910834.db2.gz PLCJECLFQAWXMU-HNNXBMFYSA-N 0 3 310.401 3.011 20 30 DGEDHN N#Cc1cccc(COc2cccc(CNC[C@H]3CCCO3)c2)c1 ZINC000047688110 431914821 /nfs/dbraw/zinc/91/48/21/431914821.db2.gz JYADZHKUGPBYNR-HXUWFJFHSA-N 0 3 322.408 3.406 20 30 DGEDHN C=C(C)COCCN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000090451413 431892199 /nfs/dbraw/zinc/89/21/99/431892199.db2.gz QNAWEGVFMNNLCH-AWEZNQCLSA-N 0 3 317.433 3.214 20 30 DGEDHN CC[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000046171371 431895113 /nfs/dbraw/zinc/89/51/13/431895113.db2.gz GRFKQANHXDVFJF-APWZRJJASA-N 0 3 315.461 3.342 20 30 DGEDHN CC[C@H](C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000046171413 431895309 /nfs/dbraw/zinc/89/53/09/431895309.db2.gz DDVBJWROVWXKTB-KXBFYZLASA-N 0 3 313.445 3.096 20 30 DGEDHN COc1ccccc1[C@H](CNc1ncccc1C#N)N1CCCC1 ZINC000046228532 431895973 /nfs/dbraw/zinc/89/59/73/431895973.db2.gz HWAZAGLQVWVFSY-KRWDZBQOSA-N 0 3 322.412 3.211 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000091960595 431906685 /nfs/dbraw/zinc/90/66/85/431906685.db2.gz KXQDDERELDYXHD-XLIONFOSSA-N 0 3 323.440 3.368 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2(CCC)CCC2)CC1 ZINC000125619035 431931712 /nfs/dbraw/zinc/93/17/12/431931712.db2.gz OWJGAQGYJHRRJN-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN C=C(C)COCCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000125807376 431936588 /nfs/dbraw/zinc/93/65/88/431936588.db2.gz WYLBHNHIULPGAY-UHFFFAOYSA-N 0 3 311.809 3.184 20 30 DGEDHN N#Cc1ccsc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000128101807 431987519 /nfs/dbraw/zinc/98/75/19/431987519.db2.gz INAFECIWTQJWJC-OAHLLOKOSA-N 0 3 323.421 3.245 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057554500 431992048 /nfs/dbraw/zinc/99/20/48/431992048.db2.gz WWMNRRAWESDHLQ-CVEARBPZSA-N 0 3 313.445 3.377 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000270789586 432289673 /nfs/dbraw/zinc/28/96/73/432289673.db2.gz DOXKXBNJNSTKOD-UHFFFAOYSA-N 0 3 316.445 3.051 20 30 DGEDHN CCN(CCO[C@@H]1CCCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000248562788 432301347 /nfs/dbraw/zinc/30/13/47/432301347.db2.gz JXZRJKLTRJSNQC-CRAIPNDOSA-N 0 3 302.418 3.484 20 30 DGEDHN N#CC1CCN(Cc2cccc(CN3CCC(C#N)CC3)c2)CC1 ZINC000057872681 431993901 /nfs/dbraw/zinc/99/39/01/431993901.db2.gz BWDWHMRUUAHITK-UHFFFAOYSA-N 0 3 322.456 3.158 20 30 DGEDHN C=CC[C@H](C)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000248758682 432316485 /nfs/dbraw/zinc/31/64/85/432316485.db2.gz VOVRYRCBHUVEJL-XKQJLSEDSA-N 0 3 308.853 3.266 20 30 DGEDHN COC(=O)CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000249044366 432334506 /nfs/dbraw/zinc/33/45/06/432334506.db2.gz VQOZOKYRNSMMBB-OIISXLGYSA-N 0 3 300.402 3.353 20 30 DGEDHN C[C@H](CN(C)CCOc1ccc(C#N)cc1)c1nccs1 ZINC000183918577 432335119 /nfs/dbraw/zinc/33/51/19/432335119.db2.gz OHCRIPPHGOKKKQ-CYBMUJFWSA-N 0 3 301.415 3.129 20 30 DGEDHN COc1ccc(CNCc2ccc3c(c2)CCCN3C)cc1C#N ZINC000174323912 432337345 /nfs/dbraw/zinc/33/73/45/432337345.db2.gz UJRLEHPRSZYROG-UHFFFAOYSA-N 0 3 321.424 3.239 20 30 DGEDHN CC(C)[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCS1 ZINC000174334747 432338041 /nfs/dbraw/zinc/33/80/41/432338041.db2.gz FBRGYYXCWWIKMA-CYBMUJFWSA-N 0 3 323.487 3.022 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1COc2ccccc2O1 ZINC000249130498 432339856 /nfs/dbraw/zinc/33/98/56/432339856.db2.gz LIYZMTHNFNQRRA-YOEHRIQHSA-N 0 3 308.381 3.391 20 30 DGEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248732178 432315255 /nfs/dbraw/zinc/31/52/55/432315255.db2.gz DHAPDKHDZQPEOS-DAYGRLMNSA-N 0 3 313.445 3.387 20 30 DGEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000252443131 432375988 /nfs/dbraw/zinc/37/59/88/432375988.db2.gz PJYXUDQCJBFOGV-JKSUJKDBSA-N 0 3 301.434 3.300 20 30 DGEDHN COc1cc2c(cc1CN[C@H]1CCC[C@H](C#N)C1)O[C@@H](C)C2 ZINC000192647332 432396670 /nfs/dbraw/zinc/39/66/70/432396670.db2.gz VHIOTGRWBRYKTH-XEZPLFJOSA-N 0 3 300.402 3.191 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)COC2 ZINC000271462438 432400374 /nfs/dbraw/zinc/40/03/74/432400374.db2.gz KIZUWWPIDOLHOS-CQSZACIVSA-N 0 3 308.381 3.470 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H](O)COCc1ccccc1 ZINC000250217329 432366402 /nfs/dbraw/zinc/36/64/02/432366402.db2.gz VMYUQMNSGYSYDI-OXQOHEQNSA-N 0 3 324.424 3.129 20 30 DGEDHN C=CCN1CCC(NC(=O)N([C@H](C)[C@@H](C)CC)C2CC2)CC1 ZINC000175477584 432440816 /nfs/dbraw/zinc/44/08/16/432440816.db2.gz BLEFPLVOGWGQPU-LSDHHAIUSA-N 0 3 307.482 3.245 20 30 DGEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(NC(N)=O)cc1 ZINC000193024986 432441058 /nfs/dbraw/zinc/44/10/58/432441058.db2.gz HVAPIQGOQUEZQJ-STQMWFEESA-N 0 3 308.385 3.461 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000193072570 432445718 /nfs/dbraw/zinc/44/57/18/432445718.db2.gz RCQYKLRDMZPYDQ-IAGOWNOFSA-N 0 3 312.461 3.241 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3ccn(CCC)c3c2)CC1 ZINC000175258440 432417513 /nfs/dbraw/zinc/41/75/13/432417513.db2.gz WVYHGZGNEIRNJR-UHFFFAOYSA-N 0 3 323.440 3.335 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000175912413 432476957 /nfs/dbraw/zinc/47/69/57/432476957.db2.gz JNNLYGOMVGSSJD-UHFFFAOYSA-N 0 3 322.861 3.346 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000185341759 432492425 /nfs/dbraw/zinc/49/24/25/432492425.db2.gz XCWDRRFFNDCJGG-LJQANCHMSA-N 0 3 312.457 3.442 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000155428140 432554480 /nfs/dbraw/zinc/55/44/80/432554480.db2.gz IANWUHPUHUMOGB-UHFFFAOYSA-N 0 3 305.381 3.331 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000185858124 432540449 /nfs/dbraw/zinc/54/04/49/432540449.db2.gz VXWCWXGTGPTCKS-JQWIXIFHSA-N 0 3 314.216 3.439 20 30 DGEDHN N#Cc1cccc(C2(NC[C@@H](O)CCc3ccccc3)CC2)c1 ZINC000273200812 432564822 /nfs/dbraw/zinc/56/48/22/432564822.db2.gz FCBKUSVUYINMNX-IBGZPJMESA-N 0 3 306.409 3.131 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1oc(C)cc1C)C(C)C ZINC000176662627 432541747 /nfs/dbraw/zinc/54/17/47/432541747.db2.gz AHZXMBVNOQZVNM-INIZCTEOSA-N 0 3 304.434 3.325 20 30 DGEDHN N#CCCCCN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000264072040 432610897 /nfs/dbraw/zinc/61/08/97/432610897.db2.gz BEXMFEQCEUSDQJ-LJQANCHMSA-N 0 3 321.424 3.328 20 30 DGEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000273209157 432566498 /nfs/dbraw/zinc/56/64/98/432566498.db2.gz LGZHSZJBINEEAA-CQSZACIVSA-N 0 3 317.433 3.474 20 30 DGEDHN N#CC(C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cn1 ZINC000155707890 432568990 /nfs/dbraw/zinc/56/89/90/432568990.db2.gz YHXIOMIVGOHISP-LBPRGKRZSA-N 0 3 311.307 3.156 20 30 DGEDHN C[C@@H](COc1ccc(F)cc1F)NCc1ccc(C#N)s1 ZINC000176954713 432569168 /nfs/dbraw/zinc/56/91/68/432569168.db2.gz OKUHLGQJLMJBIB-JTQLQIEISA-N 0 3 308.353 3.455 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000194877266 432584909 /nfs/dbraw/zinc/58/49/09/432584909.db2.gz JVHXFKORCYZMNY-SFHVURJKSA-N 0 3 318.392 3.109 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000194960754 432589842 /nfs/dbraw/zinc/58/98/42/432589842.db2.gz ZVBZAIAZCVHZIX-FQEVSTJZSA-N 0 3 306.409 3.126 20 30 DGEDHN CC1(C)CC[C@@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000186660778 432620179 /nfs/dbraw/zinc/62/01/79/432620179.db2.gz MQLKPEMGCFGOQB-KRWDZBQOSA-N 0 3 313.445 3.028 20 30 DGEDHN COc1ccc(CN(C)CCCOc2cccc(C#N)c2)cc1 ZINC000195646077 432631359 /nfs/dbraw/zinc/63/13/59/432631359.db2.gz FZZRCJURWBXEJS-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)CC1CC1 ZINC000157925143 432632684 /nfs/dbraw/zinc/63/26/84/432632684.db2.gz BOTWZJKOVCWDSP-AWEZNQCLSA-N 0 3 306.475 3.383 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN(CCC(C)(C)C#N)C2)C1 ZINC000158591412 432651834 /nfs/dbraw/zinc/65/18/34/432651834.db2.gz JAGBARBRQPSVQF-SFHVURJKSA-N 0 3 321.465 3.259 20 30 DGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)N(C)C ZINC000264530674 432655171 /nfs/dbraw/zinc/65/51/71/432655171.db2.gz ICJMOQHLORKVNC-STQMWFEESA-N 0 3 320.462 3.152 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@@H](O)C2)c1 ZINC000158788603 432658540 /nfs/dbraw/zinc/65/85/40/432658540.db2.gz LLGSZDVYVQBZPL-LJQANCHMSA-N 0 3 322.408 3.094 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2CCOc2ccc(C#N)cc2)n1 ZINC000159804824 432696888 /nfs/dbraw/zinc/69/68/88/432696888.db2.gz YAOSWUDMHBJEEV-IBGZPJMESA-N 0 3 307.397 3.478 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1 ZINC000187999470 432698868 /nfs/dbraw/zinc/69/88/68/432698868.db2.gz BVLXYZPEUOUXEV-INIZCTEOSA-N 0 3 300.446 3.289 20 30 DGEDHN CC#CCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000226745683 432707742 /nfs/dbraw/zinc/70/77/42/432707742.db2.gz BIBSKAVORDGCDA-UHFFFAOYSA-N 0 3 314.429 3.487 20 30 DGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)sc1C ZINC000160118908 432708382 /nfs/dbraw/zinc/70/83/82/432708382.db2.gz OYPZFJKWRNXJIR-SNVBAGLBSA-N 0 3 307.325 3.284 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](C)C1 ZINC000227172532 432709795 /nfs/dbraw/zinc/70/97/95/432709795.db2.gz OGERCHWARVMTNO-GARNVTTQSA-N 0 3 305.466 3.038 20 30 DGEDHN C[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000227684853 432712824 /nfs/dbraw/zinc/71/28/24/432712824.db2.gz PHYSOJUUDPJRID-QWHCGFSZSA-N 0 3 303.406 3.122 20 30 DGEDHN C#CC[C@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccccc1 ZINC000274842708 432715684 /nfs/dbraw/zinc/71/56/84/432715684.db2.gz WKFXEEPBOOXPOV-IBGZPJMESA-N 0 3 318.420 3.450 20 30 DGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C/CN(C)C ZINC000265663373 432719388 /nfs/dbraw/zinc/71/93/88/432719388.db2.gz FHQWCUUJKVJAKW-PPGNKHEKSA-N 0 3 303.431 3.137 20 30 DGEDHN C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1-c1ccoc1C ZINC000187662299 432674884 /nfs/dbraw/zinc/67/48/84/432674884.db2.gz LDOINRYQHBNIDN-CYBMUJFWSA-N 0 3 318.446 3.076 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cn(C)nc1C)C(C)C ZINC000177931425 432676150 /nfs/dbraw/zinc/67/61/50/432676150.db2.gz XORJNPZHMNEZLP-YJBOKZPZSA-N 0 3 304.482 3.078 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000187718685 432679511 /nfs/dbraw/zinc/67/95/11/432679511.db2.gz HQFIRUMFZAIZDP-DOTOQJQBSA-N 0 3 308.429 3.307 20 30 DGEDHN C[C@H](NC[C@H](O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000224671362 432683476 /nfs/dbraw/zinc/68/34/76/432683476.db2.gz PCNBXZPQVKUUQR-LRDDRELGSA-N 0 3 302.399 3.035 20 30 DGEDHN C=C(C)[C@@H](NC[C@@H](O)COCC(C)C)c1ccc(F)c(F)c1 ZINC000187762458 432684064 /nfs/dbraw/zinc/68/40/64/432684064.db2.gz AUNZHMLZXQVMHF-RHSMWYFYSA-N 0 3 313.388 3.205 20 30 DGEDHN N#CCOc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000265277844 432684615 /nfs/dbraw/zinc/68/46/15/432684615.db2.gz YPYDUHJUFFAMAZ-HXUWFJFHSA-N 0 3 322.408 3.071 20 30 DGEDHN C[C@@H]1CCN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000266182756 432754517 /nfs/dbraw/zinc/75/45/17/432754517.db2.gz CPDRMURRXODBOA-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000276022600 432767745 /nfs/dbraw/zinc/76/77/45/432767745.db2.gz CJQFQUIGDBZHOL-AEFFLSMTSA-N 0 3 315.461 3.115 20 30 DGEDHN CN(CCOc1ccc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000189320031 432776924 /nfs/dbraw/zinc/77/69/24/432776924.db2.gz AJHIMQZMGKFKQC-UHFFFAOYSA-N 0 3 302.324 3.347 20 30 DGEDHN C=CCCN(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000276208091 432782813 /nfs/dbraw/zinc/78/28/13/432782813.db2.gz ZNMHRVNBMHJONC-UHFFFAOYSA-N 0 3 315.461 3.041 20 30 DGEDHN Cc1ccc(C#N)c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1 ZINC000161634151 432789667 /nfs/dbraw/zinc/78/96/67/432789667.db2.gz VDVNTICFZNBEQC-QGZVFWFLSA-N 0 3 320.440 3.363 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2COc3ccccc3C2)cc1 ZINC000237503157 432790169 /nfs/dbraw/zinc/79/01/69/432790169.db2.gz DYXVIRQYYRUQIY-YOEHRIQHSA-N 0 3 308.381 3.071 20 30 DGEDHN CC(C)(C#N)CCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000266893515 432794089 /nfs/dbraw/zinc/79/40/89/432794089.db2.gz FTGPJMLTGBVAMQ-UHFFFAOYSA-N 0 3 310.445 3.006 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245743643 432860567 /nfs/dbraw/zinc/86/05/67/432860567.db2.gz MIRKXQQAESFIJS-PKOBYXMFSA-N 0 3 314.429 3.370 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000278152303 432887585 /nfs/dbraw/zinc/88/75/85/432887585.db2.gz AFNXTZPDFMIJLD-BEFAXECRSA-N 0 3 321.424 3.304 20 30 DGEDHN C#C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000288144302 432888455 /nfs/dbraw/zinc/88/84/55/432888455.db2.gz JEZJRHUVZWWOEH-GOSISDBHSA-N 0 3 312.457 3.063 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC000330028557 432890072 /nfs/dbraw/zinc/89/00/72/432890072.db2.gz ORUGOLODNLFYAA-AWEZNQCLSA-N 0 3 305.422 3.115 20 30 DGEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000330054294 432891350 /nfs/dbraw/zinc/89/13/50/432891350.db2.gz RTKFAVVJDPWDAU-HZPDHXFCSA-N 0 3 318.465 3.152 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cc2ccccc2n1 ZINC000330105591 432893570 /nfs/dbraw/zinc/89/35/70/432893570.db2.gz JQXWJYKRCBDQFB-CABCVRRESA-N 0 3 314.433 3.113 20 30 DGEDHN Clc1cccc(C#CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296305684 432893817 /nfs/dbraw/zinc/89/38/17/432893817.db2.gz ZZSVDNCISQTVNL-ZACQAIPSSA-N 0 3 301.817 3.239 20 30 DGEDHN CC(C)n1ncc2c1C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)CC2 ZINC000330164036 432894906 /nfs/dbraw/zinc/89/49/06/432894906.db2.gz SWMSDAVJWPQHAQ-LZWOXQAQSA-N 0 3 318.465 3.151 20 30 DGEDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000331158506 432933871 /nfs/dbraw/zinc/93/38/71/432933871.db2.gz DSUXGSJGPPCZRN-GXTWGEPZSA-N 0 3 305.447 3.343 20 30 DGEDHN CO[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)Cc1ccccc1 ZINC000296329280 432896835 /nfs/dbraw/zinc/89/68/35/432896835.db2.gz PDHMHRFVVJDECU-UZLBHIALSA-N 0 3 324.424 3.497 20 30 DGEDHN C[S@@](=O)C[C@@H](NCCCCC(C)(C)C#N)c1ccccc1 ZINC000278757878 432900860 /nfs/dbraw/zinc/90/08/60/432900860.db2.gz MMTMNMMQNWBDCX-IIBYNOLFSA-N 0 3 306.475 3.416 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000330261027 432901339 /nfs/dbraw/zinc/90/13/39/432901339.db2.gz OTOQWSBTSAJDSX-QIQRODTPSA-N 0 3 318.461 3.069 20 30 DGEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330273704 432901777 /nfs/dbraw/zinc/90/17/77/432901777.db2.gz ZPHUZNKEBANKEK-HRBASQQOSA-N 0 3 320.477 3.457 20 30 DGEDHN Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330358673 432905986 /nfs/dbraw/zinc/90/59/86/432905986.db2.gz VDWXQBSYOCWPRE-NSHDSACASA-N 0 3 305.422 3.176 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC[N@@H+]1C ZINC000330414867 432908069 /nfs/dbraw/zinc/90/80/69/432908069.db2.gz CQYSHNLEUCFQCL-NXEZZACHSA-N 0 3 316.323 3.198 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000330414867 432908071 /nfs/dbraw/zinc/90/80/71/432908071.db2.gz CQYSHNLEUCFQCL-NXEZZACHSA-N 0 3 316.323 3.198 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)CC(C)(C)C#N)c1ccsc1 ZINC000278907612 432915391 /nfs/dbraw/zinc/91/53/91/432915391.db2.gz ZIFYCJZNKBVLRX-AWEZNQCLSA-N 0 3 307.463 3.187 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000278908133 432915415 /nfs/dbraw/zinc/91/54/15/432915415.db2.gz ZXFKKCUNWOBXSR-JSSFPYSZSA-N 0 3 302.418 3.443 20 30 DGEDHN CCc1c(C(=O)NCCN2CCC[C@@H](C)C2)cnn1C(C)(C)C ZINC000330550270 432917244 /nfs/dbraw/zinc/91/72/44/432917244.db2.gz WXDDTKFKGIZGGF-CQSZACIVSA-N 0 3 320.481 3.237 20 30 DGEDHN C=C[C@@H](CO)N[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000289634422 432971038 /nfs/dbraw/zinc/97/10/38/432971038.db2.gz FKDYHQJZOVNTQE-FZMZJTMJSA-N 0 3 318.417 3.463 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000279707547 432991091 /nfs/dbraw/zinc/99/10/91/432991091.db2.gz KPHMNKXXGIVBGD-KNCCTNLNSA-N 0 3 309.413 3.181 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC23CCCCC3)cc1 ZINC000280067766 433001556 /nfs/dbraw/zinc/00/15/56/433001556.db2.gz MZLRLIDNGFMPBE-SJORKVTESA-N 0 3 307.397 3.080 20 30 DGEDHN CN(C)CCN(Cc1cccs1)Cc1ccc(C#N)s1 ZINC000289394938 432953470 /nfs/dbraw/zinc/95/34/70/432953470.db2.gz FPENYHRLNPVBAI-UHFFFAOYSA-N 0 3 305.472 3.245 20 30 DGEDHN N#CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289404124 432954886 /nfs/dbraw/zinc/95/48/86/432954886.db2.gz AISCTYDCOSBVTR-QZTJIDSGSA-N 0 3 312.413 3.122 20 30 DGEDHN Cc1cc([C@@H]2CCCN2CCCC2(C#N)CCOCC2)on1 ZINC000331643975 432956217 /nfs/dbraw/zinc/95/62/17/432956217.db2.gz SKOMPQFZMPCYAD-HNNXBMFYSA-N 0 3 303.406 3.221 20 30 DGEDHN CC1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280494025 433062303 /nfs/dbraw/zinc/06/23/03/433062303.db2.gz QIYCVLVRQCCNEB-QGZVFWFLSA-N 0 3 309.413 3.279 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000372978987 433069722 /nfs/dbraw/zinc/06/97/22/433069722.db2.gz SZVQPXBZJZGZHT-OAQYLSRUSA-N 0 3 320.436 3.365 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425004297 433071462 /nfs/dbraw/zinc/07/14/62/433071462.db2.gz JIBJIAQZLURSED-ZWKOTPCHSA-N 0 3 312.457 3.322 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000280587426 433095939 /nfs/dbraw/zinc/09/59/39/433095939.db2.gz IDSKCPOCGWHRPH-LRDDRELGSA-N 0 3 305.809 3.059 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453336146 433098604 /nfs/dbraw/zinc/09/86/04/433098604.db2.gz ATPQSYUOXHWFES-NWDGAFQWSA-N 0 3 313.825 3.335 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000290629548 433121241 /nfs/dbraw/zinc/12/12/41/433121241.db2.gz CRZOOJWYLADHPU-IIBYNOLFSA-N 0 3 320.436 3.018 20 30 DGEDHN N#Cc1ncccc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000290695861 433141211 /nfs/dbraw/zinc/14/12/11/433141211.db2.gz VGCVLCMAHHPSAS-AWEZNQCLSA-N 0 3 312.442 3.339 20 30 DGEDHN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(C)C#N ZINC000447064074 433148019 /nfs/dbraw/zinc/14/80/19/433148019.db2.gz SWGVKURPIJUONF-JQWIXIFHSA-N 0 3 321.218 3.272 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453344080 433106754 /nfs/dbraw/zinc/10/67/54/433106754.db2.gz GVHHOPZICJXXAQ-GJZGRUSLSA-N 0 3 317.351 3.310 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000280613351 433107500 /nfs/dbraw/zinc/10/75/00/433107500.db2.gz KFVWMJVHGMVCHJ-SWLSCSKDSA-N 0 3 310.781 3.319 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453344384 433107798 /nfs/dbraw/zinc/10/77/98/433107798.db2.gz HEOQIXPSEXIQSB-CJNGLKHVSA-N 0 3 317.408 3.298 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453344382 433109604 /nfs/dbraw/zinc/10/96/04/433109604.db2.gz HEOQIXPSEXIQSB-BBRMVZONSA-N 0 3 317.408 3.298 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000280636757 433116906 /nfs/dbraw/zinc/11/69/06/433116906.db2.gz ZGGYYAGJXHDPNG-KSZLIROESA-N 0 3 307.397 3.032 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000290629541 433119730 /nfs/dbraw/zinc/11/97/30/433119730.db2.gz CRZOOJWYLADHPU-HRAATJIYSA-N 0 3 320.436 3.018 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)cc1F ZINC000425370006 433207902 /nfs/dbraw/zinc/20/79/02/433207902.db2.gz IGSRMFYFCYNPQZ-SFHVURJKSA-N 0 3 314.404 3.478 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@]3(CCCc4ccccc43)C2)C1=O ZINC000337184463 433210940 /nfs/dbraw/zinc/21/09/40/433210940.db2.gz NVJGHJKWHJFUJF-PZJWPPBQSA-N 0 3 324.468 3.143 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000280779290 433170318 /nfs/dbraw/zinc/17/03/18/433170318.db2.gz IEOTUSDJHVQXPH-XYPHTWIQSA-N 0 3 311.372 3.223 20 30 DGEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1nc2ccccc2[nH]1 ZINC000447252267 433173621 /nfs/dbraw/zinc/17/36/21/433173621.db2.gz QVZJSQVRGVUKOX-CYBMUJFWSA-N 0 3 302.337 3.325 20 30 DGEDHN CN(Cc1cccc(C#N)c1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336701175 433181981 /nfs/dbraw/zinc/18/19/81/433181981.db2.gz JVFJOWTZRYLMFG-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN CC(=O)N1CCN(CC(C)(C)CCC#N)CC12CCCCC2 ZINC000374259719 433183555 /nfs/dbraw/zinc/18/35/55/433183555.db2.gz QVWVLNBGQXUYNG-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN C[C@H](CO)N(Cc1ccc(C#N)cc1OC(F)F)CC1CCC1 ZINC000361495408 433206626 /nfs/dbraw/zinc/20/66/26/433206626.db2.gz DRPJJURTQOPAEJ-GFCCVEGCSA-N 0 3 324.371 3.143 20 30 DGEDHN N#CC1(CCCN2CC=C(C(F)(F)F)CC2)CCOCC1 ZINC000337193047 433216107 /nfs/dbraw/zinc/21/61/07/433216107.db2.gz UZYUGSNWBSKJOU-UHFFFAOYSA-N 0 3 302.340 3.281 20 30 DGEDHN CN(CCNc1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000354686608 433218364 /nfs/dbraw/zinc/21/83/64/433218364.db2.gz BVGZGRZLENRRQG-UHFFFAOYSA-N 0 3 301.340 3.380 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)C[C@@H](C)OC ZINC000291218644 433227652 /nfs/dbraw/zinc/22/76/52/433227652.db2.gz LGHUOJLLTWYALB-HUUCEWRRSA-N 0 3 324.490 3.008 20 30 DGEDHN CC1=CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000280930904 433228515 /nfs/dbraw/zinc/22/85/15/433228515.db2.gz VDAAMPBOMPXHBX-UHFFFAOYSA-N 0 3 315.442 3.089 20 30 DGEDHN C#CCCCCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000291247632 433230363 /nfs/dbraw/zinc/23/03/63/433230363.db2.gz VPWJTAIOPDXMPJ-UHFFFAOYSA-N 0 3 311.784 3.418 20 30 DGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291277385 433232958 /nfs/dbraw/zinc/23/29/58/433232958.db2.gz QBCXBRGMIHCFHD-AWEZNQCLSA-N 0 3 314.433 3.197 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000337446962 433233785 /nfs/dbraw/zinc/23/37/85/433233785.db2.gz CLCMUWNTXNVMQI-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN Cn1cc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1C#N ZINC000453611422 433236150 /nfs/dbraw/zinc/23/61/50/433236150.db2.gz IGISGURLPDPCNK-IBGZPJMESA-N 0 3 323.440 3.280 20 30 DGEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC000453620987 433245833 /nfs/dbraw/zinc/24/58/33/433245833.db2.gz LIQWLIDBNYVILQ-GOSISDBHSA-N 0 3 300.402 3.112 20 30 DGEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)c(C)c2)cc1C ZINC000453640238 433254419 /nfs/dbraw/zinc/25/44/19/433254419.db2.gz WZCPRKGFJXKJKX-FQEVSTJZSA-N 0 3 308.425 3.177 20 30 DGEDHN C=CCc1cc(CN2CCCO[C@@H](CC)C2)cc(OC)c1O ZINC000281126190 433262836 /nfs/dbraw/zinc/26/28/36/433262836.db2.gz CNWNIUHQUXZEOY-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000413281543 433272274 /nfs/dbraw/zinc/27/22/74/433272274.db2.gz NFPCNQAQXNWBQH-AAEUAGOBSA-N 0 3 324.350 3.035 20 30 DGEDHN C=CCc1cc(CN2CCCO[C@H](C(C)C)C2)cc(OC)c1O ZINC000354793572 433277856 /nfs/dbraw/zinc/27/78/56/433277856.db2.gz QWBOGIPLIKUXFT-SFHVURJKSA-N 0 3 319.445 3.376 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291602095 433281790 /nfs/dbraw/zinc/28/17/90/433281790.db2.gz BXCQAUHULLOMCN-JXFKEZNVSA-N 0 3 306.409 3.255 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291602102 433283029 /nfs/dbraw/zinc/28/30/29/433283029.db2.gz BXCQAUHULLOMCN-OXJNMPFZSA-N 0 3 306.409 3.255 20 30 DGEDHN CCOc1ccc([C@@H](O)C2CCN(CCCC#N)CC2)cc1 ZINC000291595100 433283479 /nfs/dbraw/zinc/28/34/79/433283479.db2.gz BPNCFPOSIYRVGP-GOSISDBHSA-N 0 3 302.418 3.134 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000291612698 433286929 /nfs/dbraw/zinc/28/69/29/433286929.db2.gz YGZSQBUBKWJSIW-UHFFFAOYSA-N 0 3 302.418 3.312 20 30 DGEDHN CN1CC[C@@H]2CCN(c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1 ZINC000374856497 433290571 /nfs/dbraw/zinc/29/05/71/433290571.db2.gz LIONVYIEVAOCJJ-IAQYHMDHSA-N 0 3 309.335 3.107 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000375122892 433367434 /nfs/dbraw/zinc/36/74/34/433367434.db2.gz DGTBKTUKYGWDEN-FUHWJXTLSA-N 0 3 312.457 3.063 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000413979534 433334842 /nfs/dbraw/zinc/33/48/42/433334842.db2.gz BLMJJZAGFVQWOE-JZXOWHBKSA-N 0 3 300.446 3.163 20 30 DGEDHN C[C@H]1C[C@@H](CO)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000420943041 433339619 /nfs/dbraw/zinc/33/96/19/433339619.db2.gz PKQMZVPZOPGPPG-DZGCQCFKSA-N 0 3 311.347 3.007 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000454246278 433342272 /nfs/dbraw/zinc/34/22/72/433342272.db2.gz YVNQCULGSXLWKB-QGZVFWFLSA-N 0 3 301.434 3.089 20 30 DGEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc(C#N)ccc1Cl ZINC000354882791 433342523 /nfs/dbraw/zinc/34/25/23/433342523.db2.gz SVFFWHIAYLNDES-ZDUSSCGKSA-N 0 3 319.836 3.206 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000454370084 433396861 /nfs/dbraw/zinc/39/68/61/433396861.db2.gz PTRAVCWBPUASJV-WBVHZDCISA-N 0 3 301.434 3.087 20 30 DGEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414163125 433432579 /nfs/dbraw/zinc/43/25/79/433432579.db2.gz ICYCNLVITJUMFN-CYBMUJFWSA-N 0 3 323.462 3.039 20 30 DGEDHN CCN(CCN[C@H](C)c1cccc(C#N)c1)CCC(F)(F)F ZINC000426034541 433407691 /nfs/dbraw/zinc/40/76/91/433407691.db2.gz IEKHMVPXROXYFS-CYBMUJFWSA-N 0 3 313.367 3.483 20 30 DGEDHN N#CCCCC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000291981852 433416100 /nfs/dbraw/zinc/41/61/00/433416100.db2.gz UTMAYHGSBMRKCA-UHFFFAOYSA-N 0 3 315.417 3.184 20 30 DGEDHN CCc1nocc1CNCCSCc1ccccc1C#N ZINC000339176409 433416164 /nfs/dbraw/zinc/41/61/64/433416164.db2.gz WKHRTKQMRZNGMI-UHFFFAOYSA-N 0 3 301.415 3.132 20 30 DGEDHN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)Cc1ccccc1 ZINC000301157591 433436529 /nfs/dbraw/zinc/43/65/29/433436529.db2.gz DPTZQGPLQDBSOU-AWEZNQCLSA-N 0 3 314.820 3.191 20 30 DGEDHN CCn1ccnc1[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C1CCOCC1 ZINC000375419367 433458288 /nfs/dbraw/zinc/45/82/88/433458288.db2.gz GRWBIZBSEWUVOS-DJIMGWMZSA-N 0 3 316.449 3.043 20 30 DGEDHN CC(C)c1nnc(CCN[C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000426297600 433458396 /nfs/dbraw/zinc/45/83/96/433458396.db2.gz BQRKNBMKTZETHV-OAHLLOKOSA-N 0 3 312.442 3.353 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000421321653 433477227 /nfs/dbraw/zinc/47/72/27/433477227.db2.gz CFDVUKCTGFVXGK-GOSISDBHSA-N 0 3 315.367 3.229 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N1CCc2ccccc21 ZINC000421336617 433485349 /nfs/dbraw/zinc/48/53/49/433485349.db2.gz WYLLWMYRAHACNU-AWEZNQCLSA-N 0 3 309.388 3.238 20 30 DGEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)c1ccccc1 ZINC000292156207 433482348 /nfs/dbraw/zinc/48/23/48/433482348.db2.gz KNTHZASDFGBQCS-DNVCBOLYSA-N 0 3 313.445 3.266 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cc(C)n(C)n1)C(C)C ZINC000282169758 433521229 /nfs/dbraw/zinc/52/12/29/433521229.db2.gz MDRKEDPDUCJKTI-AEFFLSMTSA-N 0 3 304.482 3.078 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000448683139 433490082 /nfs/dbraw/zinc/49/00/82/433490082.db2.gz VVHRKKFOXZDEBI-QGZVFWFLSA-N 0 3 300.446 3.152 20 30 DGEDHN C[C@@]1(CNCc2ccc(C#N)c(F)c2)OCCc2sccc21 ZINC000421352759 433495425 /nfs/dbraw/zinc/49/54/25/433495425.db2.gz DSSYUCWFYSEILI-KRWDZBQOSA-N 0 3 316.401 3.337 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000454584998 433497555 /nfs/dbraw/zinc/49/75/55/433497555.db2.gz FKUUMGMAOFBKMF-FUHWJXTLSA-N 0 3 315.461 3.305 20 30 DGEDHN COc1cccc(O[C@@H](C)CNCc2ccc(C#N)c(F)c2)c1 ZINC000421368361 433508414 /nfs/dbraw/zinc/50/84/14/433508414.db2.gz UJKDUZHCVTVTJK-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN COCC[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000456290074 433571015 /nfs/dbraw/zinc/57/10/15/433571015.db2.gz NIYXSJBLBJIYTP-MFKMUULPSA-N 0 3 314.307 3.059 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(CC)nc(Cl)c2C)CC1 ZINC000301476300 433571374 /nfs/dbraw/zinc/57/13/74/433571374.db2.gz BFIHRBDFSYWZTB-UHFFFAOYSA-N 0 3 308.857 3.453 20 30 DGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000362191782 433574791 /nfs/dbraw/zinc/57/47/91/433574791.db2.gz RXCPUEBYHZKDSV-SJORKVTESA-N 0 3 309.413 3.278 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000455697188 433547496 /nfs/dbraw/zinc/54/74/96/433547496.db2.gz DIJJPYATIGMPNS-YPMHNXCESA-N 0 3 320.824 3.010 20 30 DGEDHN CN(CCNc1cccc(F)c1C#N)Cc1ccc(F)cc1 ZINC000301525646 433597143 /nfs/dbraw/zinc/59/71/43/433597143.db2.gz IWXQMIMWPKDGMG-UHFFFAOYSA-N 0 3 301.340 3.380 20 30 DGEDHN C=CCCN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000282426746 433604274 /nfs/dbraw/zinc/60/42/74/433604274.db2.gz HAWIJNXMBXDZLV-UHFFFAOYSA-N 0 3 315.335 3.445 20 30 DGEDHN CN(CCNc1ccc(Cl)c(C#N)n1)Cc1ccc(F)cc1 ZINC000301553667 433611506 /nfs/dbraw/zinc/61/15/06/433611506.db2.gz RQDJDYKUAAZWPR-UHFFFAOYSA-N 0 3 318.783 3.290 20 30 DGEDHN COC[C@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000342318776 433613153 /nfs/dbraw/zinc/61/31/53/433613153.db2.gz MPIOMNRPCLAUOZ-SFHVURJKSA-N 0 3 314.360 3.053 20 30 DGEDHN COc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1C#N ZINC000376149731 433680323 /nfs/dbraw/zinc/68/03/23/433680323.db2.gz MIDYOOOCBRVIGS-RDJZCZTQSA-N 0 3 314.429 3.205 20 30 DGEDHN CC[C@@]1(C)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000362389576 433682985 /nfs/dbraw/zinc/68/29/85/433682985.db2.gz ANBMVODXTBAKPT-SFHVURJKSA-N 0 3 302.418 3.458 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C)(C)C1 ZINC000362408920 433700998 /nfs/dbraw/zinc/70/09/98/433700998.db2.gz DDASNWXCXBLLFW-CSLYMUCUSA-N 0 3 305.466 3.038 20 30 DGEDHN CCCCOC1CCN(CCOc2ccccc2C#N)CC1 ZINC000362445139 433720428 /nfs/dbraw/zinc/72/04/28/433720428.db2.gz BZLKIQBYIJZWLK-UHFFFAOYSA-N 0 3 302.418 3.218 20 30 DGEDHN C[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCN1C ZINC000428171677 433752525 /nfs/dbraw/zinc/75/25/25/433752525.db2.gz UJZWXTNISRRCDU-CZUORRHYSA-N 0 3 312.461 3.462 20 30 DGEDHN C[C@]12CN(Cc3cnc4ccc(C#N)cn34)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000449761958 433772738 /nfs/dbraw/zinc/77/27/38/433772738.db2.gz CNRRQTGFYPBCLQ-WXSAJPJJSA-N 0 3 306.413 3.074 20 30 DGEDHN Cc1ccc(CCN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000376595297 433783083 /nfs/dbraw/zinc/78/30/83/433783083.db2.gz MEIIWYPGMOMVAV-UHFFFAOYSA-N 0 3 305.425 3.490 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC2(C1)CCCC2)C(C)C ZINC000429941937 433785324 /nfs/dbraw/zinc/78/53/24/433785324.db2.gz HYAOUYSITKWABP-KRWDZBQOSA-N 0 3 319.493 3.271 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301990105 433809039 /nfs/dbraw/zinc/80/90/39/433809039.db2.gz FKFOVPQTDKPQSG-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN CN(C)[C@@H](CC(=O)N1CCc2c1cccc2C#N)c1ccccc1 ZINC000421958834 433820529 /nfs/dbraw/zinc/82/05/29/433820529.db2.gz CIPNNXFJAQFJAU-IBGZPJMESA-N 0 3 319.408 3.140 20 30 DGEDHN CN(C)[C@H](CC(=O)N1CCc2c1cccc2C#N)c1ccccc1 ZINC000421958837 433821029 /nfs/dbraw/zinc/82/10/29/433821029.db2.gz CIPNNXFJAQFJAU-LJQANCHMSA-N 0 3 319.408 3.140 20 30 DGEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)[C@H]1[C@H]1CCCO1 ZINC000351984395 433835931 /nfs/dbraw/zinc/83/59/31/433835931.db2.gz XOZSIOCDBMUPST-MSOLQXFVSA-N 0 3 314.429 3.217 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000433354344 433847334 /nfs/dbraw/zinc/84/73/34/433847334.db2.gz NZJLVGPISXRJSX-DLBZAZTESA-N 0 3 322.412 3.236 20 30 DGEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000357113627 433870177 /nfs/dbraw/zinc/87/01/77/433870177.db2.gz GBJQNCIRLUTKCG-ZDUSSCGKSA-N 0 3 317.433 3.451 20 30 DGEDHN C[C@H](CNc1c(C#N)cccc1C#N)N(C)Cc1ccccc1 ZINC000302876925 433895554 /nfs/dbraw/zinc/89/55/54/433895554.db2.gz GGXBFVKCDNYKST-OAHLLOKOSA-N 0 3 304.397 3.362 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@](C)(C#N)CC ZINC000285204504 433922223 /nfs/dbraw/zinc/92/22/23/433922223.db2.gz FMUWDLIZDPNJEY-GOSISDBHSA-N 0 3 301.434 3.037 20 30 DGEDHN C=CCC[C@H](NC[C@@H](C(C)C)N1CCN(C)CC1)c1ccco1 ZINC000285640634 434021160 /nfs/dbraw/zinc/02/11/60/434021160.db2.gz LUFIRDPFGZJEMK-ROUUACIJSA-N 0 3 319.493 3.149 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363411736 434046946 /nfs/dbraw/zinc/04/69/46/434046946.db2.gz MDOWVDOLORJJJB-AEFFLSMTSA-N 0 3 315.461 3.162 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000416064937 434000128 /nfs/dbraw/zinc/00/01/28/434000128.db2.gz ASSCQGDXHQTZOS-ULQDDVLXSA-N 0 3 309.413 3.181 20 30 DGEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528393 434062622 /nfs/dbraw/zinc/06/26/22/434062622.db2.gz LPUNQWAAWMFTEB-RISCZKNCSA-N 0 3 305.809 3.413 20 30 DGEDHN C=C(C)CN(CCn1ccnc1C)Cc1cnn(C(C)C)c1 ZINC000352958032 434066210 /nfs/dbraw/zinc/06/62/10/434066210.db2.gz XRMFHGBPHBOZHR-UHFFFAOYSA-N 0 3 301.438 3.047 20 30 DGEDHN CC(C)(C)OC(=O)CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353248974 434068369 /nfs/dbraw/zinc/06/83/69/434068369.db2.gz BVBALZAKOZWAHY-MRXNPFEDSA-N 0 3 300.402 3.257 20 30 DGEDHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC(C)(C)C#N ZINC000353277266 434075335 /nfs/dbraw/zinc/07/53/35/434075335.db2.gz XDPBOHCNTGEGNW-UHFFFAOYSA-N 0 3 313.401 3.116 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)OCCO3)CC2 ZINC000353358616 434077754 /nfs/dbraw/zinc/07/77/54/434077754.db2.gz YEOIDJKPXWZTBK-KRWDZBQOSA-N 0 3 306.365 3.107 20 30 DGEDHN CN(c1cccnc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000357508508 434055772 /nfs/dbraw/zinc/05/57/72/434055772.db2.gz HZZVDVKOWDFGBC-KRWDZBQOSA-N 0 3 306.413 3.054 20 30 DGEDHN CN(C)CCN(C(=O)c1cc(C#N)ccc1Cl)C1CCCC1 ZINC000352843857 434059598 /nfs/dbraw/zinc/05/95/98/434059598.db2.gz RGHPEEMKPZZJCP-UHFFFAOYSA-N 0 3 319.836 3.158 20 30 DGEDHN C#CCCOc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1 ZINC000294411898 434112569 /nfs/dbraw/zinc/11/25/69/434112569.db2.gz LEDPKYVNMHBKKL-UHFFFAOYSA-N 0 3 322.408 3.403 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCN1CCc3ccccc3C1)CC2 ZINC000353410597 434115282 /nfs/dbraw/zinc/11/52/82/434115282.db2.gz ICEAXKBOKBOOGU-NRFANRHFSA-N 0 3 317.436 3.193 20 30 DGEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000285958888 434121137 /nfs/dbraw/zinc/12/11/37/434121137.db2.gz NKJLHEUUWKAAFO-GFCCVEGCSA-N 0 3 314.433 3.238 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCCC3)nc1)CC2 ZINC000353428568 434126690 /nfs/dbraw/zinc/12/66/90/434126690.db2.gz ROTDSEOYOOTCPH-IBGZPJMESA-N 0 3 318.424 3.331 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346145204 434152044 /nfs/dbraw/zinc/15/20/44/434152044.db2.gz UTKSCKWVLCSYLW-VXGBXAGGSA-N 0 3 306.381 3.468 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294948775 434152796 /nfs/dbraw/zinc/15/27/96/434152796.db2.gz LUKYTZYSICNVLX-GDBMZVCRSA-N 0 3 322.399 3.367 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000357740431 434156367 /nfs/dbraw/zinc/15/63/67/434156367.db2.gz JOSBKBVRKULQQL-HZPDHXFCSA-N 0 3 305.466 3.182 20 30 DGEDHN C[C@@H](NCCN(C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346205803 434197266 /nfs/dbraw/zinc/19/72/66/434197266.db2.gz VQJAIZNIJIZJST-OAHLLOKOSA-N 0 3 311.404 3.480 20 30 DGEDHN COc1cc(CN2CCN(C)Cc3ccccc32)ccc1C#N ZINC000353588847 434252112 /nfs/dbraw/zinc/25/21/12/434252112.db2.gz NVDVQRKLLPSYES-UHFFFAOYSA-N 0 3 307.397 3.019 20 30 DGEDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000379673651 434259806 /nfs/dbraw/zinc/25/98/06/434259806.db2.gz RHKYQQONFXESTJ-BEFAXECRSA-N 0 3 320.440 3.727 20 30 DGEDHN CN1CCC(Oc2ccc(CNc3ncccc3C#N)cc2)CC1 ZINC000286412638 434262490 /nfs/dbraw/zinc/26/24/90/434262490.db2.gz KLPSAQMQIUJSNO-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCOCC3(CCCC3)C2)cc1 ZINC000364331371 434265834 /nfs/dbraw/zinc/26/58/34/434265834.db2.gz YUIDUKGPCDIUIM-MRXNPFEDSA-N 0 3 314.429 3.370 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCOCC3(CCCC3)C2)cc1 ZINC000364331370 434266599 /nfs/dbraw/zinc/26/65/99/434266599.db2.gz YUIDUKGPCDIUIM-INIZCTEOSA-N 0 3 314.429 3.370 20 30 DGEDHN N#Cc1cccnc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286452567 434272966 /nfs/dbraw/zinc/27/29/66/434272966.db2.gz UGOWNRCAVUKSGE-HXUWFJFHSA-N 0 3 318.424 3.056 20 30 DGEDHN C=CCN1CCC(N[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286342014 434237741 /nfs/dbraw/zinc/23/77/41/434237741.db2.gz YIVPJDVRUSJRIJ-QGZVFWFLSA-N 0 3 302.466 3.271 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000364568366 434279280 /nfs/dbraw/zinc/27/92/80/434279280.db2.gz VOQGGSRBTAEYIU-QGZVFWFLSA-N 0 3 302.462 3.047 20 30 DGEDHN N#Cc1ccccc1OCCN1CCS[C@H]2CCCC[C@H]21 ZINC000437516311 434279476 /nfs/dbraw/zinc/27/94/76/434279476.db2.gz PKIAFENSBIXKTN-WBVHZDCISA-N 0 3 302.443 3.297 20 30 DGEDHN Cc1nc(N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1C#N ZINC000383068266 434281720 /nfs/dbraw/zinc/28/17/20/434281720.db2.gz IBSRKAXTMGZAND-INIZCTEOSA-N 0 3 320.440 3.363 20 30 DGEDHN N#CCOc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000364856228 434285025 /nfs/dbraw/zinc/28/50/25/434285025.db2.gz UQGNLNJFZARZGW-UHFFFAOYSA-N 0 3 317.392 3.303 20 30 DGEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(CCC2CC2)CC1 ZINC000348311682 434289163 /nfs/dbraw/zinc/28/91/63/434289163.db2.gz DLDOCMFPPKSHKI-QGZVFWFLSA-N 0 3 303.837 3.322 20 30 DGEDHN COc1cccc([C@H]2C[C@H](C)CN2Cc2cc(C#N)n(C)c2)c1 ZINC000365254015 434291416 /nfs/dbraw/zinc/29/14/16/434291416.db2.gz FQRYHWZWRBZYHA-IFXJQAMLSA-N 0 3 309.413 3.488 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCC(=O)NC23CCC3)[C@@H]1C ZINC000328679945 434297259 /nfs/dbraw/zinc/29/72/59/434297259.db2.gz BTBRSFZMSONSFB-APIJFGDWSA-N 0 3 321.465 3.399 20 30 DGEDHN C=CCC[C@H](Nc1ccc(N2CCNCC2)cn1)c1ccco1 ZINC000423233420 434298630 /nfs/dbraw/zinc/29/86/30/434298630.db2.gz OHURPGFXTZVDTC-INIZCTEOSA-N 0 3 312.417 3.204 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)c2coc(C3CCCC3)n2)CN1C1CC1 ZINC000328779092 434311005 /nfs/dbraw/zinc/31/10/05/434311005.db2.gz UBHMAOVNSGQYEB-DGCLKSJQSA-N 0 3 303.406 3.262 20 30 DGEDHN CC1(C)CCC[C@](O)(CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000328773053 434311323 /nfs/dbraw/zinc/31/13/23/434311323.db2.gz RROZMKPHXDKMNK-GOSISDBHSA-N 0 3 308.466 3.149 20 30 DGEDHN C#CCN(C(=O)C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000365950453 434316641 /nfs/dbraw/zinc/31/66/41/434316641.db2.gz ZRXCCVGHDDOSTG-UHFFFAOYSA-N 0 3 324.468 3.303 20 30 DGEDHN Cc1noc(C(C)C)c1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000329167355 434369192 /nfs/dbraw/zinc/36/91/92/434369192.db2.gz IKTMRPDJFOVGCK-ZDUSSCGKSA-N 0 3 305.422 3.428 20 30 DGEDHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1cc2ccccc2o1 ZINC000329300462 434391938 /nfs/dbraw/zinc/39/19/38/434391938.db2.gz MLLQIIVZJYNJHK-GXTWGEPZSA-N 0 3 313.401 3.234 20 30 DGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cncc(F)c1 ZINC000457889275 434388301 /nfs/dbraw/zinc/38/83/01/434388301.db2.gz JSBCCWCBACTRCD-ZFWWWQNUSA-N 0 3 311.360 3.170 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H]1Cc1ccccc1 ZINC000437825957 434342281 /nfs/dbraw/zinc/34/22/81/434342281.db2.gz VUNLPDQZGYMUIA-SFHVURJKSA-N 0 3 322.408 3.263 20 30 DGEDHN Cc1nc(CCNC(=O)[C@H]2CCCN2C2CCCC2)c(C)o1 ZINC000329046698 434347802 /nfs/dbraw/zinc/34/78/02/434347802.db2.gz VCYXGACKIPQULF-MRXNPFEDSA-N 0 3 305.422 3.197 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000295903257 434444496 /nfs/dbraw/zinc/44/44/96/434444496.db2.gz ZHGLYFLPAXKJKB-PMACEKPBSA-N 0 3 324.468 3.032 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCCN(C)C1CC1 ZINC000329442611 434411657 /nfs/dbraw/zinc/41/16/57/434411657.db2.gz NGWJSFXKVATPSU-HNNXBMFYSA-N 0 3 319.449 3.199 20 30 DGEDHN N#CC1(NC(=O)CN2CCC[C@H]2C2CCOCC2)CCCCC1 ZINC000329485036 434422370 /nfs/dbraw/zinc/42/23/70/434422370.db2.gz SNOXQQATJZBDGU-INIZCTEOSA-N 0 3 319.449 3.060 20 30 DGEDHN C=C(C)[C@@H](NC[C@@H]1CCNC(=O)CC1)c1ccc(F)c(F)c1 ZINC000295719010 434432327 /nfs/dbraw/zinc/43/23/27/434432327.db2.gz KXOWLPKTUCSYRF-YVEFUNNKSA-N 0 3 308.372 3.088 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](N[C@H](C)c1ccc(C#N)cc1)CO2 ZINC000295982189 434462435 /nfs/dbraw/zinc/46/24/35/434462435.db2.gz NGYRDWXFBJULII-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN C[C@@H](C(=O)NCc1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000360000873 434468890 /nfs/dbraw/zinc/46/88/90/434468890.db2.gz NBMMNUDFEAAFST-OAHLLOKOSA-N 0 3 321.424 3.040 20 30 DGEDHN C=C(CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccccc1 ZINC000287941108 434483153 /nfs/dbraw/zinc/48/31/53/434483153.db2.gz FWSFQWVJZDYUQN-INIZCTEOSA-N 0 3 315.461 3.072 20 30 DGEDHN C=C(CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)c1ccccc1 ZINC000287941109 434483892 /nfs/dbraw/zinc/48/38/92/434483892.db2.gz FWSFQWVJZDYUQN-MRXNPFEDSA-N 0 3 315.461 3.072 20 30 DGEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450866161 434449563 /nfs/dbraw/zinc/44/95/63/434449563.db2.gz SYUQMRBTVHDYIW-BBWFWOEESA-N 0 3 300.377 3.135 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000404170403 434507075 /nfs/dbraw/zinc/50/70/75/434507075.db2.gz XPKRXSADXFQGLE-GOSISDBHSA-N 0 3 309.388 3.061 20 30 DGEDHN COCC(C)(C)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000348867549 434533944 /nfs/dbraw/zinc/53/39/44/434533944.db2.gz IQSRRFORETWNLP-UHFFFAOYSA-N 0 3 320.408 3.213 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(C)CCCC[C@@H]2C)CC1 ZINC000458322565 434541154 /nfs/dbraw/zinc/54/11/54/434541154.db2.gz OLKHFLNQESIHRG-MAUKXSAKSA-N 0 3 307.482 3.295 20 30 DGEDHN CC(C)N(CCn1cc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000459317293 434564405 /nfs/dbraw/zinc/56/44/05/434564405.db2.gz BSKAPYABPFOWHK-UHFFFAOYSA-N 0 3 302.809 3.319 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452083910 434584334 /nfs/dbraw/zinc/58/43/34/434584334.db2.gz UPCVKHXCPFSUKL-VKJFTORMSA-N 0 3 307.482 3.187 20 30 DGEDHN C=CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000369430351 434593032 /nfs/dbraw/zinc/59/30/32/434593032.db2.gz ABYUUEIECZPLJD-KRWDZBQOSA-N 0 3 315.461 3.177 20 30 DGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)c(C)c2)o1 ZINC000349062691 434594600 /nfs/dbraw/zinc/59/46/00/434594600.db2.gz NMTMZNFVVKQXBL-UHFFFAOYSA-N 0 3 311.429 3.332 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]1c1ccccc1 ZINC000329728283 295384080 /nfs/dbraw/zinc/38/40/80/295384080.db2.gz PAJPTMOKJQUEMD-RHSMWYFYSA-N 0 3 310.401 3.018 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]1c1ccccc1 ZINC000329728283 295384082 /nfs/dbraw/zinc/38/40/82/295384082.db2.gz PAJPTMOKJQUEMD-RHSMWYFYSA-N 0 3 310.401 3.018 20 30 DGEDHN CCc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424063715 434612791 /nfs/dbraw/zinc/61/27/91/434612791.db2.gz INKKVNULHLTYGW-SJORKVTESA-N 0 3 301.434 3.083 20 30 DGEDHN CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424093377 434620791 /nfs/dbraw/zinc/62/07/91/434620791.db2.gz ROVKJECQASHYMX-JKSUJKDBSA-N 0 3 301.434 3.301 20 30 DGEDHN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000424094023 434620942 /nfs/dbraw/zinc/62/09/42/434620942.db2.gz TWOUFRGCGAVLBS-HNNXBMFYSA-N 0 3 307.825 3.098 20 30 DGEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](N)CCCC#N)CCC2 ZINC000424171058 434645288 /nfs/dbraw/zinc/64/52/88/434645288.db2.gz LDXGZJHLDOMSCU-QZTJIDSGSA-N 0 3 313.445 3.325 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1Cl ZINC000424115629 434624373 /nfs/dbraw/zinc/62/43/73/434624373.db2.gz AQYMJCZMYNQSLX-CABZTGNLSA-N 0 3 314.216 3.192 20 30 DGEDHN Cc1ccccc1-c1csc(NC(=O)[C@H](N)CCCC#N)n1 ZINC000424107942 434625200 /nfs/dbraw/zinc/62/52/00/434625200.db2.gz ZMPPCJDCFZEQCG-CYBMUJFWSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1nc(-c2ccccc2)c(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424112616 434625232 /nfs/dbraw/zinc/62/52/32/434625232.db2.gz KHODOVFYCPEZPI-ZDUSSCGKSA-N 0 3 314.414 3.078 20 30 DGEDHN CC[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CC[C@H]1c1ccccc1 ZINC000424122177 434628655 /nfs/dbraw/zinc/62/86/55/434628655.db2.gz JQOACYWKRFICFL-KBAYOESNSA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cncc(F)c1)C(C)C ZINC000439637696 434630453 /nfs/dbraw/zinc/63/04/53/434630453.db2.gz HFOXYUIABGCGKH-MRXNPFEDSA-N 0 3 320.412 3.041 20 30 DGEDHN CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424129222 434631126 /nfs/dbraw/zinc/63/11/26/434631126.db2.gz XOCCTBHWRRGTFH-GJZGRUSLSA-N 0 3 323.387 3.189 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000424171889 434644605 /nfs/dbraw/zinc/64/46/05/434644605.db2.gz MLFRYWPSPGJKPO-MSOLQXFVSA-N 0 3 313.445 3.021 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000369617927 434599977 /nfs/dbraw/zinc/59/99/77/434599977.db2.gz SRPXRLVPINPVEM-VQIMIIECSA-N 0 3 315.461 3.162 20 30 DGEDHN COc1cc(C)c(C[C@@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418138114 434601682 /nfs/dbraw/zinc/60/16/82/434601682.db2.gz FZICRSZCNMNTMS-CQSZACIVSA-N 0 3 302.418 3.227 20 30 DGEDHN CN(C)c1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418144832 434603446 /nfs/dbraw/zinc/60/34/46/434603446.db2.gz LVVWAZLJRWWTRR-MRXNPFEDSA-N 0 3 312.442 3.248 20 30 DGEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418142378 434604382 /nfs/dbraw/zinc/60/43/82/434604382.db2.gz NDWNERIGJPZSKH-KGLIPLIRSA-N 0 3 302.418 3.479 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440337784 434695273 /nfs/dbraw/zinc/69/52/73/434695273.db2.gz ZGWGAXAUUMYBBM-OXJNMPFZSA-N 0 3 312.457 3.047 20 30 DGEDHN COc1c(Br)cccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424187224 434650466 /nfs/dbraw/zinc/65/04/66/434650466.db2.gz AMSNLZOVAUBQEQ-CMPLNLGQSA-N 0 3 309.207 3.240 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)C1(c2ccccc2)CCCC1 ZINC000424196535 434653459 /nfs/dbraw/zinc/65/34/59/434653459.db2.gz ZXQRDOURZMJGFS-WBVHZDCISA-N 0 3 313.445 3.024 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCc2ccncc2)C1 ZINC000424199918 434655901 /nfs/dbraw/zinc/65/59/01/434655901.db2.gz QPAGCWYDYXXOCF-AEFFLSMTSA-N 0 3 307.397 3.442 20 30 DGEDHN CCC[C@H](C#N)N(C)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000410828618 434679563 /nfs/dbraw/zinc/67/95/63/434679563.db2.gz OFJRUTSTLHQDMY-ZWKOTPCHSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCCCCCN(C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418591798 434683243 /nfs/dbraw/zinc/68/32/43/434683243.db2.gz UWLBOJVSMNANJF-UHFFFAOYSA-N 0 3 301.434 3.178 20 30 DGEDHN COc1cc(CNC[C@@H](C)Oc2ccccc2F)ccc1C#N ZINC000440816934 434746574 /nfs/dbraw/zinc/74/65/74/434746574.db2.gz OEKPFRIYJXJVKY-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN COc1cc(CNCCCOc2ccc(F)cc2)ccc1C#N ZINC000440821762 434746619 /nfs/dbraw/zinc/74/66/19/434746619.db2.gz NQYDUQJMPKDYLB-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN COc1cc(CNCCN2c3ccccc3C[C@@H]2C)ccc1C#N ZINC000440813627 434747522 /nfs/dbraw/zinc/74/75/22/434747522.db2.gz NBQXRYIZIURAIB-HNNXBMFYSA-N 0 3 321.424 3.108 20 30 DGEDHN N#Cc1cccc(OC2CCN(CCc3cncs3)CC2)c1 ZINC000411233996 434749116 /nfs/dbraw/zinc/74/91/16/434749116.db2.gz DGDWPZNQVXLBCC-UHFFFAOYSA-N 0 3 313.426 3.101 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)c(OC)c1)C(C)C ZINC000440610818 434723468 /nfs/dbraw/zinc/72/34/68/434723468.db2.gz NEZSHVLJNZYLOW-GOSISDBHSA-N 0 3 318.417 3.024 20 30 DGEDHN Cc1ccc(CNC(=O)C2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000411312187 434761083 /nfs/dbraw/zinc/76/10/83/434761083.db2.gz ZAQCEBGHUOOKFV-INIZCTEOSA-N 0 3 313.445 3.016 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000411335504 434764701 /nfs/dbraw/zinc/76/47/01/434764701.db2.gz DREMDVLNBONKCY-LBPRGKRZSA-N 0 3 320.824 3.078 20 30 DGEDHN CC1=CCC[C@H](C)[C@H]1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000443405714 434778479 /nfs/dbraw/zinc/77/84/79/434778479.db2.gz KQWXUDSSJRIQDN-WMZOPIPTSA-N 0 3 310.445 3.068 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC[C@@H](C)N(C)C2CC2)CCCC1(C)C ZINC000445010319 434790568 /nfs/dbraw/zinc/79/05/68/434790568.db2.gz FXEPLBPWKDMVTP-GDBMZVCRSA-N 0 3 307.482 3.245 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)ccc1OC ZINC000361166862 434818645 /nfs/dbraw/zinc/81/86/45/434818645.db2.gz OMJXVZOPBZXMOH-JKSUJKDBSA-N 0 3 318.461 3.175 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000372433584 434827727 /nfs/dbraw/zinc/82/77/27/434827727.db2.gz LINYFCUQUVHZAK-AWEZNQCLSA-N 0 3 310.401 3.080 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000411774060 434829603 /nfs/dbraw/zinc/82/96/03/434829603.db2.gz WRYYAWVLGVDJDP-NWDGAFQWSA-N 0 3 314.355 3.311 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000411813376 434829720 /nfs/dbraw/zinc/82/97/20/434829720.db2.gz AJVWWPUKXRMTAY-QWHCGFSZSA-N 0 3 304.356 3.360 20 30 DGEDHN C=CCC[C@@H](NC(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000445875024 434833886 /nfs/dbraw/zinc/83/38/86/434833886.db2.gz MCBKTEDOPWQUCW-QGZVFWFLSA-N 0 3 315.461 3.477 20 30 DGEDHN CC(C)CC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000361242721 434840328 /nfs/dbraw/zinc/84/03/28/434840328.db2.gz GFHOMDIJQKEKBV-KRWDZBQOSA-N 0 3 316.445 3.199 20 30 DGEDHN CN(C)C/C=C\C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000491909928 434879308 /nfs/dbraw/zinc/87/93/08/434879308.db2.gz XPSBPIMZGBILAH-YVMONPNESA-N 0 3 321.380 3.407 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000491808827 434865938 /nfs/dbraw/zinc/86/59/38/434865938.db2.gz WTCXHIHPQZJWIA-HNNXBMFYSA-N 0 3 310.441 3.086 20 30 DGEDHN Cc1ccccc1OC[C@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000573708490 434918814 /nfs/dbraw/zinc/91/88/14/434918814.db2.gz VITXIOOKWDEVPW-MOPGFXCFSA-N 0 3 324.424 3.369 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)C#N)Cc1cccc(Br)c1 ZINC000522974479 434936399 /nfs/dbraw/zinc/93/63/99/434936399.db2.gz OTTFVGVJZNURIB-VXGBXAGGSA-N 0 3 323.234 3.294 20 30 DGEDHN CN(C)[C@@H](CC(=O)N1CCC(CCC#N)CC1)c1ccccc1 ZINC000573969162 434940677 /nfs/dbraw/zinc/94/06/77/434940677.db2.gz MIXAFTWYCQJBJZ-SFHVURJKSA-N 0 3 313.445 3.222 20 30 DGEDHN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H](C)OC ZINC000463424978 434959628 /nfs/dbraw/zinc/95/96/28/434959628.db2.gz FQHPIXQCRNIJMH-ZDUSSCGKSA-N 0 3 315.335 3.294 20 30 DGEDHN CN1CCC[C@@]2(CCN(c3ccc4cc(C#N)ccc4n3)C2)C1 ZINC000555204075 434965404 /nfs/dbraw/zinc/96/54/04/434965404.db2.gz KVXXQWUOOAIARU-LJQANCHMSA-N 0 3 306.413 3.029 20 30 DGEDHN CCN(Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1)C1CC1 ZINC000522586022 434926373 /nfs/dbraw/zinc/92/63/73/434926373.db2.gz DOAJAVJVIJWNII-UHFFFAOYSA-N 0 3 313.445 3.435 20 30 DGEDHN C#CC[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000492610057 435021355 /nfs/dbraw/zinc/02/13/55/435021355.db2.gz RIJLNJASCIINMM-GOEBONIOSA-N 0 3 302.418 3.254 20 30 DGEDHN C[C@@H]1CC(F)(F)CCN1CCC(=O)Nc1ccccc1C#N ZINC000528771962 435028913 /nfs/dbraw/zinc/02/89/13/435028913.db2.gz VVAFBQXCARBJIB-GFCCVEGCSA-N 0 3 307.344 3.006 20 30 DGEDHN C=CCCCCCN(C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000524608301 434983088 /nfs/dbraw/zinc/98/30/88/434983088.db2.gz RZZBZLHDNAXIEK-UHFFFAOYSA-N 0 3 306.425 3.429 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000525635019 435007280 /nfs/dbraw/zinc/00/72/80/435007280.db2.gz DWKSOOOMQXZQHZ-PKOBYXMFSA-N 0 3 312.457 3.140 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC3(CCCC3)C2)CC1 ZINC000527090462 435009557 /nfs/dbraw/zinc/00/95/57/435009557.db2.gz QFQZVOZYEBSOPX-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000527298936 435011448 /nfs/dbraw/zinc/01/14/48/435011448.db2.gz FZAFJXWEAJTPEF-HOTGVXAUSA-N 0 3 317.477 3.230 20 30 DGEDHN CN(C)C[C@@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000527244296 435012435 /nfs/dbraw/zinc/01/24/35/435012435.db2.gz LJDHMMCTZGLGSA-ROUUACIJSA-N 0 3 313.445 3.017 20 30 DGEDHN C=C(C)CN1CCC(Nc2noc3ccc(Cl)cc32)CC1 ZINC000578289074 435074094 /nfs/dbraw/zinc/07/40/94/435074094.db2.gz BHJNCHLPJRGRDM-UHFFFAOYSA-N 0 3 305.809 3.934 20 30 DGEDHN C=CCC[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC000556883675 435034198 /nfs/dbraw/zinc/03/41/98/435034198.db2.gz HBALAFMEUWXWDH-KKUMJFAQSA-N 0 3 311.447 3.232 20 30 DGEDHN C=CCC[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC000556883672 435035397 /nfs/dbraw/zinc/03/53/97/435035397.db2.gz HBALAFMEUWXWDH-ILXRZTDVSA-N 0 3 311.447 3.232 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)CCOc1cccc(C#N)c1 ZINC000530447139 435044352 /nfs/dbraw/zinc/04/43/52/435044352.db2.gz MBBVJNVJLMRVFY-LJQANCHMSA-N 0 3 324.424 3.127 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000465860758 435048579 /nfs/dbraw/zinc/04/85/79/435048579.db2.gz OAYUYZBJIAMHDZ-QZTJIDSGSA-N 0 3 319.493 3.295 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000575772028 435051499 /nfs/dbraw/zinc/05/14/99/435051499.db2.gz ZENQNDUODFVOFL-AEFFLSMTSA-N 0 3 322.412 3.236 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC2(CCCCC2)CC1 ZINC000469864018 435132480 /nfs/dbraw/zinc/13/24/80/435132480.db2.gz DSGNLIRHEIZOJI-GOSISDBHSA-N 0 3 319.493 3.477 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CC(C)C1)c1ccsc1 ZINC000532065755 435137931 /nfs/dbraw/zinc/13/79/31/435137931.db2.gz ZGMXUGRFMGFVSE-GULBITTBSA-N 0 3 319.474 3.187 20 30 DGEDHN C=CCN1CCC(Nc2cncc(OCC3CCCC3)n2)CC1 ZINC000475427938 435198514 /nfs/dbraw/zinc/19/85/14/435198514.db2.gz JDLSJAWAERZJDN-UHFFFAOYSA-N 0 3 316.449 3.108 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1F ZINC000532987144 435203730 /nfs/dbraw/zinc/20/37/30/435203730.db2.gz SJWNMYLIQFIZIM-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC12CCCC2)C(C)C ZINC000474697185 435157032 /nfs/dbraw/zinc/15/70/32/435157032.db2.gz NDHWJFWJMGUTQC-IAGOWNOFSA-N 0 3 304.478 3.382 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000561624879 435226839 /nfs/dbraw/zinc/22/68/39/435226839.db2.gz VWZCGKRYKUMCOF-HHXXYDBFSA-N 0 3 300.446 3.368 20 30 DGEDHN CC1CCN([C@@H](CNC[C@@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000561303786 435209341 /nfs/dbraw/zinc/20/93/41/435209341.db2.gz ASZIQYWLZCNTGI-QUCCMNQESA-N 0 3 324.472 3.493 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496397957 435212275 /nfs/dbraw/zinc/21/22/75/435212275.db2.gz IHSPPGGCOVKQMC-QLFBSQMISA-N 0 3 309.454 3.304 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2ccccn2)cc1 ZINC000533347788 435229211 /nfs/dbraw/zinc/22/92/11/435229211.db2.gz IDFJGAGVFMDEDM-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN CC(C)NC(=O)OC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000496781105 435254011 /nfs/dbraw/zinc/25/40/11/435254011.db2.gz JRXMGTLEFWNDOL-HNNXBMFYSA-N 0 3 309.454 3.305 20 30 DGEDHN C=C(C)[C@H]1OCCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000643108201 435265868 /nfs/dbraw/zinc/26/58/68/435265868.db2.gz QRVYNTZUFCZVRH-WFDRTZIDSA-N 0 3 317.433 3.249 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCCC(C)(C)C#N ZINC000496963961 435278469 /nfs/dbraw/zinc/27/84/69/435278469.db2.gz RIZQAXYODVELGX-KBPBESRZSA-N 0 3 309.454 3.304 20 30 DGEDHN CCOc1ccc(OCCN2CCC(CCC#N)CC2)cc1 ZINC000567265289 435302168 /nfs/dbraw/zinc/30/21/68/435302168.db2.gz INNBWMAAAFRSOC-UHFFFAOYSA-N 0 3 302.418 3.480 20 30 DGEDHN C=CC[C@H]1N(Cc2cccc(C(=O)OC)n2)CCCC1(C)C ZINC000562590067 435260771 /nfs/dbraw/zinc/26/07/71/435260771.db2.gz NKFZLNIMELKATN-MRXNPFEDSA-N 0 3 302.418 3.435 20 30 DGEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CC23CCOCC3)cc1 ZINC000562499063 435261079 /nfs/dbraw/zinc/26/10/79/435261079.db2.gz WDBZWOHDNUQAJS-AEFFLSMTSA-N 0 3 314.429 3.446 20 30 DGEDHN CCC(CC)N(Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535207278 435323848 /nfs/dbraw/zinc/32/38/48/435323848.db2.gz QZVHENUAHFVSSM-UHFFFAOYSA-N 0 3 300.402 3.498 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000479706004 435348338 /nfs/dbraw/zinc/34/83/38/435348338.db2.gz KJBRMYIZUGIRPY-MRXNPFEDSA-N 0 3 313.445 3.294 20 30 DGEDHN C=CC[C@H]1N(Cc2cnc3c(C#N)cnn3c2)CCCC1(C)C ZINC000567888806 435365447 /nfs/dbraw/zinc/36/54/47/435365447.db2.gz SATQFUNZHNJGAV-MRXNPFEDSA-N 0 3 309.417 3.168 20 30 DGEDHN C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(C#N)c(F)c1 ZINC000567368330 435312146 /nfs/dbraw/zinc/31/21/46/435312146.db2.gz SNBAROIVBLALJJ-BZNIZROVSA-N 0 3 314.335 3.491 20 30 DGEDHN CC[C@@H](CC#N)NCC1(COc2cccc(COC)c2)CC1 ZINC000568181268 435400863 /nfs/dbraw/zinc/40/08/63/435400863.db2.gz ORFWNQDKLHQUPF-INIZCTEOSA-N 0 3 302.418 3.274 20 30 DGEDHN C[C@@H]1[C@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000536697734 435405019 /nfs/dbraw/zinc/40/50/19/435405019.db2.gz GIADHLROBKDWEL-KGLIPLIRSA-N 0 3 310.363 3.081 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(Br)ccc1F ZINC000537095159 435424335 /nfs/dbraw/zinc/42/43/35/435424335.db2.gz MKQSNSWOYDFEQQ-QWRGUYRKSA-N 0 3 316.214 3.423 20 30 DGEDHN COC(=O)c1cccc(CN(C)C2CCCCCC2)c1C#N ZINC000535977072 435366983 /nfs/dbraw/zinc/36/69/83/435366983.db2.gz CQTSNWGVLIFCAB-UHFFFAOYSA-N 0 3 300.402 3.499 20 30 DGEDHN CC[C@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(Cl)c1 ZINC000480386510 435376538 /nfs/dbraw/zinc/37/65/38/435376538.db2.gz BUBPYSNZAIGZOJ-MRXNPFEDSA-N 0 3 317.820 3.497 20 30 DGEDHN CC(C)c1n[nH]c(CC2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000639716077 435398709 /nfs/dbraw/zinc/39/87/09/435398709.db2.gz HTGUCKRYNZRKGJ-UHFFFAOYSA-N 0 3 322.456 3.234 20 30 DGEDHN CC(C)c1nc(CC2CCN(CC#Cc3ccccc3)CC2)n[nH]1 ZINC000639716077 435398713 /nfs/dbraw/zinc/39/87/13/435398713.db2.gz HTGUCKRYNZRKGJ-UHFFFAOYSA-N 0 3 322.456 3.234 20 30 DGEDHN CC(C)c1nnc(CC2CCN(CC#Cc3ccccc3)CC2)[nH]1 ZINC000639716077 435398716 /nfs/dbraw/zinc/39/87/16/435398716.db2.gz HTGUCKRYNZRKGJ-UHFFFAOYSA-N 0 3 322.456 3.234 20 30 DGEDHN C=CCOc1ccc(CN2CCN(C)CC[C@H]2C)cc1Cl ZINC000537636493 435458276 /nfs/dbraw/zinc/45/82/76/435458276.db2.gz DOAFAKYHLPFUSC-CQSZACIVSA-N 0 3 308.853 3.431 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000644650964 435477193 /nfs/dbraw/zinc/47/71/93/435477193.db2.gz ZVRJOJSWASNECN-KRWDZBQOSA-N 0 3 300.446 3.322 20 30 DGEDHN C[C@@H]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000482704736 435478305 /nfs/dbraw/zinc/47/83/05/435478305.db2.gz JQTMNZXLNNLKAM-WTLGNFPFSA-N 0 3 323.440 3.429 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000537225897 435433181 /nfs/dbraw/zinc/43/31/81/435433181.db2.gz RLXLTFRYZCTXNT-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000537399482 435442390 /nfs/dbraw/zinc/44/23/90/435442390.db2.gz VQYGFYCFBHMPCO-ROUUACIJSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCCCN1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000481783970 435442534 /nfs/dbraw/zinc/44/25/34/435442534.db2.gz RBXXIJBAIIXZMM-UHFFFAOYSA-N 0 3 319.405 3.082 20 30 DGEDHN C=CCC[C@H](O)CN1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000481821195 435444027 /nfs/dbraw/zinc/44/40/27/435444027.db2.gz DKJHSMCFHRQXIV-QZWWFDLISA-N 0 3 323.477 3.288 20 30 DGEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000483231757 435503598 /nfs/dbraw/zinc/50/35/98/435503598.db2.gz JFVDPXQCWAJLLN-OAHLLOKOSA-N 0 3 305.466 3.087 20 30 DGEDHN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000515846168 435504846 /nfs/dbraw/zinc/50/48/46/435504846.db2.gz IAOYFNOOHCLELG-FZKQIMNGSA-N 0 3 317.396 3.014 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000483250798 435506297 /nfs/dbraw/zinc/50/62/97/435506297.db2.gz BPSOCSMXUYNCAB-PMPSAXMXSA-N 0 3 307.482 3.008 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N[C@@H]3C[C@@H](C)N(C4CC4)C3)c2c1 ZINC000569297596 435520044 /nfs/dbraw/zinc/52/00/44/435520044.db2.gz URTRBEQHDSBNAS-GDBMZVCRSA-N 0 3 320.440 3.182 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000637621081 435484928 /nfs/dbraw/zinc/48/49/28/435484928.db2.gz LLJJNIRHXHCCRM-GOSISDBHSA-N 0 3 307.482 3.106 20 30 DGEDHN CCCN(Cc1ccc(C#N)cn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000569066291 435499781 /nfs/dbraw/zinc/49/97/81/435499781.db2.gz AZYNOJNSCUKTGX-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN C=CCOCCN1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000645093193 435564665 /nfs/dbraw/zinc/56/46/65/435564665.db2.gz QTMOUFKHDYGEAK-MRXNPFEDSA-N 0 3 300.446 3.105 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000649357169 435568338 /nfs/dbraw/zinc/56/83/38/435568338.db2.gz PHCMMJOUNDUKKO-DZGCQCFKSA-N 0 3 302.443 3.413 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000539839772 435575927 /nfs/dbraw/zinc/57/59/27/435575927.db2.gz CSYJQPOJQJLGMC-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000539839772 435575932 /nfs/dbraw/zinc/57/59/32/435575932.db2.gz CSYJQPOJQJLGMC-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN C=CCN(C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CC1 ZINC000540055708 435586710 /nfs/dbraw/zinc/58/67/10/435586710.db2.gz KMQSHWDPCCFUDZ-CYBMUJFWSA-N 0 3 316.228 3.384 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2coc3cc(C)ccc23)CC1 ZINC000517304311 435588538 /nfs/dbraw/zinc/58/85/38/435588538.db2.gz GIHUQCAIGHUEFX-UHFFFAOYSA-N 0 3 312.413 3.050 20 30 DGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000645193824 435589494 /nfs/dbraw/zinc/58/94/94/435589494.db2.gz OGVYVXHVHJEAGE-RNCFNFMXSA-N 0 3 302.187 3.176 20 30 DGEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000540576421 435607531 /nfs/dbraw/zinc/60/75/31/435607531.db2.gz DPSFTYLEXYEXLO-AEFFLSMTSA-N 0 3 319.832 3.403 20 30 DGEDHN Cc1cc(CN2CCN(CCc3ccccc3)CC2)ccc1C#N ZINC000486793540 435615511 /nfs/dbraw/zinc/61/55/11/435615511.db2.gz ZGUPJKRVDNCVGZ-UHFFFAOYSA-N 0 3 319.452 3.227 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540886143 435622072 /nfs/dbraw/zinc/62/20/72/435622072.db2.gz MUYQTNUVUVGILN-OLZOCXBDSA-N 0 3 319.836 3.062 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N3CCN(C)[C@H](C(C)C)C3)c2c1 ZINC000487756594 435629363 /nfs/dbraw/zinc/62/93/63/435629363.db2.gz YEJHRAZSMBYHHU-SFHVURJKSA-N 0 3 308.429 3.191 20 30 DGEDHN CC(C)[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000487958132 435631493 /nfs/dbraw/zinc/63/14/93/435631493.db2.gz YEOSWABLYRECKJ-KRWDZBQOSA-N 0 3 324.390 3.329 20 30 DGEDHN Cc1nc(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488099323 435633574 /nfs/dbraw/zinc/63/35/74/435633574.db2.gz KKUDCAFOFUXBNW-HZPDHXFCSA-N 0 3 320.440 3.361 20 30 DGEDHN CC(C)(C#N)CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541024855 435634311 /nfs/dbraw/zinc/63/43/11/435634311.db2.gz QIYFRUFHSXPFCC-ZDUSSCGKSA-N 0 3 300.324 3.268 20 30 DGEDHN C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(C#N)cc1 ZINC000517549477 435598999 /nfs/dbraw/zinc/59/89/99/435598999.db2.gz WYVJDRDAJVZGAM-ZDUSSCGKSA-N 0 3 321.359 3.129 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(C)c2Cl)CC1 ZINC000541207111 435641544 /nfs/dbraw/zinc/64/15/44/435641544.db2.gz QHIFILCYGPCGMW-UHFFFAOYSA-N 0 3 306.837 3.337 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)CC(C)(C)C1 ZINC000541324044 435644153 /nfs/dbraw/zinc/64/41/53/435644153.db2.gz HXVGRBUXXZCMCT-HUUCEWRRSA-N 0 3 305.466 3.086 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCC[C@H](C)C1 ZINC000548299131 435680254 /nfs/dbraw/zinc/68/02/54/435680254.db2.gz FNVFBDUMJDQZME-QWHCGFSZSA-N 0 3 319.836 3.062 20 30 DGEDHN C=CCN(CCOc1cccc([N+](=O)[O-])c1)CCc1ccco1 ZINC000491330098 435732997 /nfs/dbraw/zinc/73/29/97/435732997.db2.gz PORFIVJEKVCWMX-UHFFFAOYSA-N 0 3 316.357 3.297 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@]2(C)Cc2ccccc2F)C1=O ZINC000646010054 435742496 /nfs/dbraw/zinc/74/24/96/435742496.db2.gz MQOUMEQPPFUJSW-MJGOQNOKSA-N 0 3 316.420 3.010 20 30 DGEDHN C#C[C@H](N[C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000491661264 435789170 /nfs/dbraw/zinc/78/91/70/435789170.db2.gz FOWFOEONNAHVJQ-IHRRRGAJSA-N 0 3 301.283 3.200 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)cs1 ZINC000572168414 435792219 /nfs/dbraw/zinc/79/22/19/435792219.db2.gz UKPYTAYVHYIHBY-UHFFFAOYSA-N 0 3 314.414 3.289 20 30 DGEDHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1cc(C#N)cs1 ZINC000572168414 435792225 /nfs/dbraw/zinc/79/22/25/435792225.db2.gz UKPYTAYVHYIHBY-UHFFFAOYSA-N 0 3 314.414 3.289 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000572029504 435770077 /nfs/dbraw/zinc/77/00/77/435770077.db2.gz WEMCXCOALJKYPX-GVDBMIGSSA-N 0 3 307.409 3.025 20 30 DGEDHN C=CC[C@H](CO)NCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655760403 435779927 /nfs/dbraw/zinc/77/99/27/435779927.db2.gz POJZDOTXQURJPC-OAHLLOKOSA-N 0 3 302.443 3.454 20 30 DGEDHN C=CCOCCNCc1cn(-c2ccccc2Cl)nc1C ZINC000655758669 435780616 /nfs/dbraw/zinc/78/06/16/435780616.db2.gz WTCSZBAUIZQIQA-UHFFFAOYSA-N 0 3 305.809 3.126 20 30 DGEDHN C#C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000491632439 435782109 /nfs/dbraw/zinc/78/21/09/435782109.db2.gz PSFDXEQTIGBFKZ-OAHLLOKOSA-N 0 3 314.326 3.116 20 30 DGEDHN Cc1cc(CN)cc(NC(=O)N2CCC(CCC#N)CC2)c1 ZINC000572761830 435862879 /nfs/dbraw/zinc/86/28/79/435862879.db2.gz IDFWLWFBMCBVCW-UHFFFAOYSA-N 0 3 300.406 3.001 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CC=C)CC1 ZINC000660707445 435864470 /nfs/dbraw/zinc/86/44/70/435864470.db2.gz PAXFBXKRDFZZGZ-NVXWUHKLSA-N 0 3 305.466 3.071 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000572765979 435864817 /nfs/dbraw/zinc/86/48/17/435864817.db2.gz JQUTXTGBXFGXQZ-ROUUACIJSA-N 0 3 304.478 3.360 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]4CCC[C@H]43)C2=O)cc1 ZINC000572851908 435875100 /nfs/dbraw/zinc/87/51/00/435875100.db2.gz AUIIBSQUNMXEBB-UHOSZYNNSA-N 0 3 323.440 3.318 20 30 DGEDHN C=CCCc1ccccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000656260677 435928778 /nfs/dbraw/zinc/92/87/78/435928778.db2.gz ZOCQEWPRQYFPTD-SFHVURJKSA-N 0 3 300.446 3.470 20 30 DGEDHN C=CCOc1cccc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000665366867 435958123 /nfs/dbraw/zinc/95/81/23/435958123.db2.gz JXLBPWUUHRLPBX-HNNXBMFYSA-N 0 3 317.433 3.246 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665366791 435958306 /nfs/dbraw/zinc/95/83/06/435958306.db2.gz IITZNPOBNJPQRG-KRWDZBQOSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000665392722 435966461 /nfs/dbraw/zinc/96/64/61/435966461.db2.gz CSIIWGHOGYHVKZ-YVSFHVDLSA-N 0 3 307.482 3.245 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000661116531 435969989 /nfs/dbraw/zinc/96/99/89/435969989.db2.gz YSIVOICJVMMMQD-QWHCGFSZSA-N 0 3 319.474 3.295 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2ccccc2c(=O)n1C ZINC000661115907 435970275 /nfs/dbraw/zinc/97/02/75/435970275.db2.gz GHWSCQDKQGJYRC-GDBMZVCRSA-N 0 3 311.429 3.158 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000661072279 435957884 /nfs/dbraw/zinc/95/78/84/435957884.db2.gz WXXFKZADIBVOSQ-DOTOQJQBSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000661380702 436049873 /nfs/dbraw/zinc/04/98/73/436049873.db2.gz IUPWEBOOPOCAIC-KGLIPLIRSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657426965 436196269 /nfs/dbraw/zinc/19/62/69/436196269.db2.gz NLLTUEJDZXJBPS-OAHLLOKOSA-N 0 3 316.376 3.287 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(F)ccc1OC(F)F ZINC000657455666 436210561 /nfs/dbraw/zinc/21/05/61/436210561.db2.gz WKCFKGQQDQRFLL-ABAIWWIYSA-N 0 3 315.335 3.498 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000662079575 436267785 /nfs/dbraw/zinc/26/77/85/436267785.db2.gz KLMQMBMCJCRDLV-RRQGHBQHSA-N 0 3 302.393 3.013 20 30 DGEDHN C=CCOCCCNCc1ccc(F)cc1Br ZINC000657658414 436270386 /nfs/dbraw/zinc/27/03/86/436270386.db2.gz XEYOKDVEWULUPF-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=CCOCCCNCc1ccc(Br)cc1F ZINC000657658319 436271349 /nfs/dbraw/zinc/27/13/49/436271349.db2.gz RWWHBIQUEFEAHA-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=CCNC(=O)CN[C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657954113 436346666 /nfs/dbraw/zinc/34/66/66/436346666.db2.gz VKAUWAUXAWQXDO-ZBFHGGJFSA-N 0 3 306.837 3.258 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H]1CCCn2nccc21)C(C)C ZINC000657835927 436321623 /nfs/dbraw/zinc/32/16/23/436321623.db2.gz RRZPDFDQLKAARM-FUHWJXTLSA-N 0 3 302.466 3.006 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H]1CCCn2nccc21)C(C)C ZINC000657835917 436321703 /nfs/dbraw/zinc/32/17/03/436321703.db2.gz RRZPDFDQLKAARM-AEFFLSMTSA-N 0 3 302.466 3.006 20 30 DGEDHN C=CCOCCCN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000658207636 436400626 /nfs/dbraw/zinc/40/06/26/436400626.db2.gz VVNYIACSXXMRJZ-LJQANCHMSA-N 0 3 312.413 3.362 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000658333148 436432347 /nfs/dbraw/zinc/43/23/47/436432347.db2.gz NDTJIYQGRBAFBD-CKYFFXLPSA-N 0 3 304.217 3.286 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000663415794 436457638 /nfs/dbraw/zinc/45/76/38/436457638.db2.gz IDNKMHZNUPVQPA-FUHWJXTLSA-N 0 3 315.461 3.287 20 30 DGEDHN CCc1c[nH]c(=O)c(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000659115059 436462648 /nfs/dbraw/zinc/46/26/48/436462648.db2.gz OJSOEHSPZKQRPC-LBPRGKRZSA-N 0 3 315.398 3.420 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000659519014 436513422 /nfs/dbraw/zinc/51/34/22/436513422.db2.gz BWCUSDAUCQJTNY-BRWVUGGUSA-N 0 3 301.434 3.121 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000660339979 436625129 /nfs/dbraw/zinc/62/51/29/436625129.db2.gz LGMXBPMOZIPYMO-TWMKSMIVSA-N 0 3 305.466 3.142 20 30 DGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1(C#N)CCCC1)N(C)C ZINC000362128821 302200062 /nfs/dbraw/zinc/20/00/62/302200062.db2.gz IOBIJIBBHUQTLK-WBVHZDCISA-N 0 3 313.445 3.186 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001634641043 1194506504 /nfs/dbraw/zinc/50/65/04/1194506504.db2.gz SNRRUYOFCDUNLT-HUUCEWRRSA-N 0 3 306.475 3.126 20 30 DGEDHN Cc1ccc([C@H](CNCc2cc(C#N)cs2)N2CCCC2)o1 ZINC000177694104 312782651 /nfs/dbraw/zinc/78/26/51/312782651.db2.gz KUBVJYGTBLJTCT-INIZCTEOSA-N 0 3 315.442 3.448 20 30 DGEDHN N#Cc1csc(CNCc2cccc(Cn3cccn3)c2)c1 ZINC000177688882 312782731 /nfs/dbraw/zinc/78/27/31/312782731.db2.gz PMEVQAPDNAGUTQ-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)CCc1ccccc1O ZINC000544190419 314179523 /nfs/dbraw/zinc/17/95/23/314179523.db2.gz OHFLZQUNWGCBCF-UHFFFAOYSA-N 0 3 310.397 3.207 20 30 DGEDHN C[C@@H](CN1CCN(c2cc(C#N)ccn2)CC1)C1CCCCC1 ZINC000549367083 314505147 /nfs/dbraw/zinc/50/51/47/314505147.db2.gz XFGZDPWXOAWIKZ-INIZCTEOSA-N 0 3 312.461 3.292 20 30 DGEDHN N#Cc1cnn2cc(CN[C@H](c3ccccc3)C3CCC3)cnc12 ZINC000552401300 314614514 /nfs/dbraw/zinc/61/45/14/314614514.db2.gz RZZFGEAXMDLPOA-GOSISDBHSA-N 0 3 317.396 3.232 20 30 DGEDHN CC(C)OC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000558715360 314860696 /nfs/dbraw/zinc/86/06/96/314860696.db2.gz UNUPQOADQYERTG-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000560943287 314949025 /nfs/dbraw/zinc/94/90/25/314949025.db2.gz LEVYBAGRHPBPFR-ZWKOTPCHSA-N 0 3 306.413 3.336 20 30 DGEDHN CN1CCC[C@@H](CNc2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000566950899 315385471 /nfs/dbraw/zinc/38/54/71/315385471.db2.gz OJPNKTMYPMGRKC-AWEZNQCLSA-N 0 3 312.461 3.321 20 30 DGEDHN C[C@@H](NCCCn1c2ccccc2[nH]c1=O)c1ccc(C#N)cc1 ZINC000568368151 315506555 /nfs/dbraw/zinc/50/65/55/315506555.db2.gz SEPSHHZDFATBPJ-CQSZACIVSA-N 0 3 320.396 3.354 20 30 DGEDHN COc1ccc2c(c1)OC[C@@H](NC1(c3cccc(C#N)c3)CC1)C2 ZINC000569077364 315555982 /nfs/dbraw/zinc/55/59/82/315555982.db2.gz FQNVEXHSWBIIBR-KRWDZBQOSA-N 0 3 320.392 3.149 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CNCc2cccc(C#N)c2)c1C ZINC000577500415 316242995 /nfs/dbraw/zinc/24/29/95/316242995.db2.gz HYPBGGGAGFJXFL-IBGZPJMESA-N 0 3 324.424 3.013 20 30 DGEDHN COc1ccc(F)cc1[C@H](C)NCCOc1ccccc1C#N ZINC000179957746 323218160 /nfs/dbraw/zinc/21/81/60/323218160.db2.gz NUIQIEAOXSOWIE-ZDUSSCGKSA-N 0 3 314.360 3.436 20 30 DGEDHN C[C@H](NCCOc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000180453942 323230135 /nfs/dbraw/zinc/23/01/35/323230135.db2.gz FPCQUPQDMAEYPE-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000182928854 323316043 /nfs/dbraw/zinc/31/60/43/323316043.db2.gz UJOOHFSRBYPKSV-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN CN(C)[C@@H](CNc1ncc2c(c1C#N)CCC2)c1cccc(F)c1 ZINC000578233082 323705926 /nfs/dbraw/zinc/70/59/26/323705926.db2.gz BPEVUKUVIDJPIK-SFHVURJKSA-N 0 3 324.403 3.296 20 30 DGEDHN COc1cccc(CCNCc2ccc(C#N)c(F)c2)c1OC ZINC000578616179 323758580 /nfs/dbraw/zinc/75/85/80/323758580.db2.gz CBMYETODYGMVAU-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1sccc1C#N ZINC000583390762 324348707 /nfs/dbraw/zinc/34/87/07/324348707.db2.gz ZUFUOAIJIOAPGE-UHFFFAOYSA-N 0 3 314.414 3.289 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1sccc1C#N ZINC000583390762 324348713 /nfs/dbraw/zinc/34/87/13/324348713.db2.gz ZUFUOAIJIOAPGE-UHFFFAOYSA-N 0 3 314.414 3.289 20 30 DGEDHN COCCOc1ccccc1CN1CCC(CCC#N)CC1 ZINC000564656711 332139529 /nfs/dbraw/zinc/13/95/29/332139529.db2.gz CCVNJUNNJSELRC-UHFFFAOYSA-N 0 3 302.418 3.228 20 30 DGEDHN C=CCCCCCN(C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000150878956 332197106 /nfs/dbraw/zinc/19/71/06/332197106.db2.gz UFPSXHQJKMJDSE-QGZVFWFLSA-N 0 3 316.445 3.305 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H](OC)C2CC2)ccc1OC ZINC000292936490 335097796 /nfs/dbraw/zinc/09/77/96/335097796.db2.gz HLTDXBFXSMAKQS-SFHVURJKSA-N 0 3 305.418 3.165 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@H](OC)C2CC2)ccc1OC ZINC000292936488 335098018 /nfs/dbraw/zinc/09/80/18/335098018.db2.gz HLTDXBFXSMAKQS-GOSISDBHSA-N 0 3 305.418 3.165 20 30 DGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(C2CC2)c1 ZINC000560278444 332326914 /nfs/dbraw/zinc/32/69/14/332326914.db2.gz QDOHFIWKNIULDD-KGLIPLIRSA-N 0 3 311.429 3.166 20 30 DGEDHN C=CCC(C)(C)CNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000293718538 335112408 /nfs/dbraw/zinc/11/24/08/335112408.db2.gz GIWOBEWHSOQJPB-GJZGRUSLSA-N 0 3 301.386 3.009 20 30 DGEDHN C=C(C)CN1CCC(N[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000185210948 335118172 /nfs/dbraw/zinc/11/81/72/335118172.db2.gz IMCIOTPXDZSKHB-GOSISDBHSA-N 0 3 310.445 3.129 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@](C)(COC)C2)cc1OC ZINC000295207062 335130979 /nfs/dbraw/zinc/13/09/79/335130979.db2.gz ZMYWWFNABJHLKJ-GOSISDBHSA-N 0 3 305.418 3.118 20 30 DGEDHN COc1cc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc(OC)c1OC ZINC000274197571 334056931 /nfs/dbraw/zinc/05/69/31/334056931.db2.gz JQHAQSLAZHTGHR-YDHLFZDLSA-N 0 3 318.417 3.445 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC(C)(C)C#N ZINC000278409781 334096093 /nfs/dbraw/zinc/09/60/93/334096093.db2.gz VOJOZCSRBFOIJR-MRXNPFEDSA-N 0 3 313.445 3.049 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)ccc2NC1=O ZINC000278505328 334097025 /nfs/dbraw/zinc/09/70/25/334097025.db2.gz ATYVCCKPJBHSQX-GMZLATJGSA-N 0 3 313.401 3.139 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297539945 334242325 /nfs/dbraw/zinc/24/23/25/334242325.db2.gz OSIVNNHVEZEBCS-ROUUACIJSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccc(Cl)cc1 ZINC000072645615 334885484 /nfs/dbraw/zinc/88/54/84/334885484.db2.gz ZEKNLAQLNJEDMA-UHFFFAOYSA-N 0 3 322.865 3.438 20 30 DGEDHN CC1CC(C#N)(C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000532319598 336239673 /nfs/dbraw/zinc/23/96/73/336239673.db2.gz GZQMBAJBHXPSQW-UHFFFAOYSA-N 0 3 317.477 3.041 20 30 DGEDHN CC(C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000525893432 336376260 /nfs/dbraw/zinc/37/62/60/336376260.db2.gz DJIQXJBVYWAVRR-MRXNPFEDSA-N 0 3 319.836 3.189 20 30 DGEDHN CN(C)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1c(F)cccc1F ZINC000248948792 337568889 /nfs/dbraw/zinc/56/88/89/337568889.db2.gz ZPGBQIKQBSMXBZ-DVOMOZLQSA-N 0 3 307.388 3.239 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000264413285 337632559 /nfs/dbraw/zinc/63/25/59/337632559.db2.gz ULFRCLYQTNBYNQ-UHFFFAOYSA-N 0 3 319.424 3.008 20 30 DGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000264475138 337632713 /nfs/dbraw/zinc/63/27/13/337632713.db2.gz SNYYVAQPNTZATF-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCc2occc2C1 ZINC000516373469 338012188 /nfs/dbraw/zinc/01/21/88/338012188.db2.gz PGHTXKHUXCNZOL-INIZCTEOSA-N 0 3 308.381 3.327 20 30 DGEDHN CCN1C[C@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000498910167 340025624 /nfs/dbraw/zinc/02/56/24/340025624.db2.gz CPMIEZWPORYCPG-GJZGRUSLSA-N 0 3 324.390 3.471 20 30 DGEDHN CCN1C[C@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000498910165 340025680 /nfs/dbraw/zinc/02/56/80/340025680.db2.gz CPMIEZWPORYCPG-CABCVRRESA-N 0 3 324.390 3.471 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)C1=O ZINC000499613241 340041087 /nfs/dbraw/zinc/04/10/87/340041087.db2.gz VYIOHQAMIPYIOA-NKKGCODLSA-N 0 3 318.848 3.414 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2ccccc2)CC1 ZINC000502011902 340092835 /nfs/dbraw/zinc/09/28/35/340092835.db2.gz XHKJIRHQTMLZJR-QGZVFWFLSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000503355905 340126103 /nfs/dbraw/zinc/12/61/03/340126103.db2.gz KKMWENZIMREIGY-WBVHZDCISA-N 0 3 303.450 3.252 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1C)C(C)C ZINC000503439032 340128329 /nfs/dbraw/zinc/12/83/29/340128329.db2.gz QRKAUCCWRRUHFZ-DLBZAZTESA-N 0 3 307.482 3.269 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccccc2C)CCCCC1 ZINC000507864631 340234651 /nfs/dbraw/zinc/23/46/51/340234651.db2.gz GKYAGVZPHYUDFS-QGZVFWFLSA-N 0 3 314.473 3.477 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000509582004 340274035 /nfs/dbraw/zinc/27/40/35/340274035.db2.gz FTLLTGHCNVWLAO-LSDHHAIUSA-N 0 3 307.438 3.316 20 30 DGEDHN C[C@@H]1CSC[C@@H]1NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000512192726 340351684 /nfs/dbraw/zinc/35/16/84/340351684.db2.gz BNEJQEFKHLKNSE-RISCZKNCSA-N 0 3 315.360 3.278 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000185858145 340505933 /nfs/dbraw/zinc/50/59/33/340505933.db2.gz VXWCWXGTGPTCKS-ZYHUDNBSSA-N 0 3 314.216 3.439 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CC1 ZINC000066922216 340852263 /nfs/dbraw/zinc/85/22/63/340852263.db2.gz ISQYHWOYOVPMQZ-HNNXBMFYSA-N 0 3 314.429 3.148 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000130116309 340999761 /nfs/dbraw/zinc/99/97/61/340999761.db2.gz PAXZOBRHODMWHW-KRWDZBQOSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2cccc(C)c2)C1 ZINC000542320451 341004789 /nfs/dbraw/zinc/00/47/89/341004789.db2.gz XYYJOPQXCZKKEG-HKUYNNGSSA-N 0 3 312.457 3.373 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000542320453 341004804 /nfs/dbraw/zinc/00/48/04/341004804.db2.gz XYYJOPQXCZKKEG-IEBWSBKVSA-N 0 3 312.457 3.373 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2cccc(C)c2)C1 ZINC000542320455 341004903 /nfs/dbraw/zinc/00/49/03/341004903.db2.gz XYYJOPQXCZKKEG-MJGOQNOKSA-N 0 3 312.457 3.373 20 30 DGEDHN COc1cc2c(c(CN3CCC(CC#N)CC3)c1)O[C@@H](C)C2 ZINC000543782686 341058535 /nfs/dbraw/zinc/05/85/35/341058535.db2.gz ZIFNPHBOAHVFRR-ZDUSSCGKSA-N 0 3 300.402 3.144 20 30 DGEDHN N#CC(=C([O-])c1ccnc(OC2CCCCC2)c1)c1ccncn1 ZINC000546153046 341154771 /nfs/dbraw/zinc/15/47/71/341154771.db2.gz IYRSIKCPMHVDAQ-HNNXBMFYSA-N 0 3 322.368 3.073 20 30 DGEDHN N#CC(C(=O)c1ccnc(OC2CCCCC2)c1)c1ccncn1 ZINC000546153046 341154772 /nfs/dbraw/zinc/15/47/72/341154772.db2.gz IYRSIKCPMHVDAQ-HNNXBMFYSA-N 0 3 322.368 3.073 20 30 DGEDHN N#CC(=C([O-])c1ccnc(OC2CCCCC2)c1)c1ccncn1 ZINC000546153050 341154827 /nfs/dbraw/zinc/15/48/27/341154827.db2.gz IYRSIKCPMHVDAQ-OAHLLOKOSA-N 0 3 322.368 3.073 20 30 DGEDHN N#CC(C(=O)c1ccnc(OC2CCCCC2)c1)c1ccncn1 ZINC000546153050 341154828 /nfs/dbraw/zinc/15/48/28/341154828.db2.gz IYRSIKCPMHVDAQ-OAHLLOKOSA-N 0 3 322.368 3.073 20 30 DGEDHN N#CC(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccncn1 ZINC000546860174 341183956 /nfs/dbraw/zinc/18/39/56/341183956.db2.gz FRCNJRHZWJGUBU-IBGZPJMESA-N 0 3 323.355 3.366 20 30 DGEDHN C=C(C)COCCNCc1ccc(OCC(F)(F)F)cc1 ZINC000134506300 341216525 /nfs/dbraw/zinc/21/65/25/341216525.db2.gz MBLBMBPDMJRZAM-UHFFFAOYSA-N 0 3 303.324 3.310 20 30 DGEDHN C=C(C)COCCNCc1cc(Cl)c(OC)c(OCC)c1 ZINC000134504676 341216626 /nfs/dbraw/zinc/21/66/26/341216626.db2.gz FTEWBEXINVLOKE-UHFFFAOYSA-N 0 3 313.825 3.430 20 30 DGEDHN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000077865822 341231990 /nfs/dbraw/zinc/23/19/90/341231990.db2.gz FXEHVGKYZCMZBA-GFCCVEGCSA-N 0 3 301.689 3.133 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CCC1CC1 ZINC000135301288 341236165 /nfs/dbraw/zinc/23/61/65/341236165.db2.gz UYQXBTXEUXXWIW-AWEZNQCLSA-N 0 3 317.408 3.193 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000547976268 341241472 /nfs/dbraw/zinc/24/14/72/341241472.db2.gz QBFBITOHEZOGBE-SJLPKXTDSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCC[C@H](C(=O)NCCN1CC[C@H](C)C1)c1ccccc1 ZINC000547978386 341241835 /nfs/dbraw/zinc/24/18/35/341241835.db2.gz XPEORMSUQIMTIZ-WMZOPIPTSA-N 0 3 300.446 3.194 20 30 DGEDHN C=C(C)[C@H](NCCCN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000548164076 341250784 /nfs/dbraw/zinc/25/07/84/341250784.db2.gz YHBGGZKKGZRQKQ-KRWDZBQOSA-N 0 3 308.372 3.184 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000079270314 341256186 /nfs/dbraw/zinc/25/61/86/341256186.db2.gz WIXKSJYGRFREID-HNNXBMFYSA-N 0 3 321.490 3.178 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)C[C@@H]2CC)ccc1OC ZINC000552137774 341372631 /nfs/dbraw/zinc/37/26/31/341372631.db2.gz MCRSJMXUJCMGTO-KRWDZBQOSA-N 0 3 318.461 3.176 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000552325676 341386754 /nfs/dbraw/zinc/38/67/54/341386754.db2.gz YUMIZXHQGJZJIV-AWEZNQCLSA-N 0 3 305.418 3.461 20 30 DGEDHN CC(C)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)Nc1nccs1 ZINC000248872549 341388943 /nfs/dbraw/zinc/38/89/43/341388943.db2.gz IGWOBRJXZFXAJN-RDBSUJKOSA-N 0 3 320.462 3.168 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000171607198 341781292 /nfs/dbraw/zinc/78/12/92/341781292.db2.gz JHJRCYSJJSQJGG-DOTOQJQBSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)C[C@H](N)Cc1ccccc1 ZINC000575374906 341795603 /nfs/dbraw/zinc/79/56/03/341795603.db2.gz ZQZHFQMMPFASJL-LJQANCHMSA-N 0 3 308.425 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001331308266 1178180675 /nfs/dbraw/zinc/18/06/75/1178180675.db2.gz DYAKJYGSCZVXJT-GFCCVEGCSA-N 0 3 319.276 3.344 20 30 DGEDHN COc1cc(CN(C)C[C@@H](C)c2nccs2)ccc1C#N ZINC000442840871 533784184 /nfs/dbraw/zinc/78/41/84/533784184.db2.gz FGOPDAQPODTIAL-GFCCVEGCSA-N 0 3 301.415 3.259 20 30 DGEDHN COc1cc(CN2CCS[C@H]3CCCC[C@H]32)ccc1C#N ZINC000442888110 533816212 /nfs/dbraw/zinc/81/62/12/533816212.db2.gz DUYBCVMEYKVZEZ-WBVHZDCISA-N 0 3 302.443 3.427 20 30 DGEDHN C[C@@H](CN1CCCCC1)Nc1ncc(Br)cc1C#N ZINC000311618870 533823964 /nfs/dbraw/zinc/82/39/64/533823964.db2.gz LJHKOTUUMJHJSX-NSHDSACASA-N 0 3 323.238 3.002 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000185798880 533985590 /nfs/dbraw/zinc/98/55/90/533985590.db2.gz CQYCDGFSOAFVFM-OFQRWUPVSA-N 0 3 313.401 3.376 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)CCC#N ZINC000337535221 534096807 /nfs/dbraw/zinc/09/68/07/534096807.db2.gz HDMZSUXUCUXGLF-INIZCTEOSA-N 0 3 315.461 3.468 20 30 DGEDHN C[C@@H](Cc1ccc(O)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378810 534236247 /nfs/dbraw/zinc/23/62/47/534236247.db2.gz WAKREHRNVBJZQL-YJBOKZPZSA-N 0 3 322.408 3.212 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000330995449 534255157 /nfs/dbraw/zinc/25/51/57/534255157.db2.gz OHSORHGXZOOHLE-BODMPHMZSA-N 0 3 309.413 3.181 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1c(Cl)cccc1Cl ZINC001507146735 1186372404 /nfs/dbraw/zinc/37/24/04/1186372404.db2.gz FTVBQCMWPOLEFT-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](OC)C(C)(C)C2)cc(OC)c1O ZINC000449496539 534412270 /nfs/dbraw/zinc/41/22/70/534412270.db2.gz GYWBXZNDLNDIBZ-KRWDZBQOSA-N 0 3 319.445 3.376 20 30 DGEDHN C=CC1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC1 ZINC000455200784 534524122 /nfs/dbraw/zinc/52/41/22/534524122.db2.gz WVCRODXFWCWVRI-KRWDZBQOSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000449549416 534573268 /nfs/dbraw/zinc/57/32/68/534573268.db2.gz XUMISYGGUSWDJI-SJORKVTESA-N 0 3 317.429 3.473 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccc(F)cc2)no1 ZINC000451678590 534574150 /nfs/dbraw/zinc/57/41/50/534574150.db2.gz XCKQILOVRRSXDZ-WBVHZDCISA-N 0 3 302.349 3.304 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000472763424 534684906 /nfs/dbraw/zinc/68/49/06/534684906.db2.gz ANKMHNDORQVTFE-WMZOPIPTSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000472844338 534685443 /nfs/dbraw/zinc/68/54/43/534685443.db2.gz APMNNIMLCCWALA-SJLPKXTDSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000472844339 534685633 /nfs/dbraw/zinc/68/56/33/534685633.db2.gz APMNNIMLCCWALA-WMZOPIPTSA-N 0 3 315.461 3.305 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000488845850 534687903 /nfs/dbraw/zinc/68/79/03/534687903.db2.gz QSUUQMJRMRTENZ-IBGZPJMESA-N 0 3 312.457 3.466 20 30 DGEDHN N#CCSCCCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347335099 534704426 /nfs/dbraw/zinc/70/44/26/534704426.db2.gz JHEKJRKIKUMZGR-GJZGRUSLSA-N 0 3 322.499 3.134 20 30 DGEDHN Cc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000430174575 534712201 /nfs/dbraw/zinc/71/22/01/534712201.db2.gz WOMWKBYNQDCDOU-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN N#CCc1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000433055865 534717139 /nfs/dbraw/zinc/71/71/39/534717139.db2.gz ZWSCTUDKSSQWAE-UHFFFAOYSA-N 0 3 320.436 3.279 20 30 DGEDHN N#CCc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000343619464 534718581 /nfs/dbraw/zinc/71/85/81/534718581.db2.gz VNUFAKZOXQKZDS-FQEVSTJZSA-N 0 3 306.409 3.234 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c(OC(F)F)c1 ZINC000441662260 534781828 /nfs/dbraw/zinc/78/18/28/534781828.db2.gz MIJUYIYCAVDNNC-HIFRSBDPSA-N 0 3 322.355 3.018 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300528 534799891 /nfs/dbraw/zinc/79/98/91/534799891.db2.gz AQVZCAZIUMSBLC-HUUCEWRRSA-N 0 3 317.351 3.046 20 30 DGEDHN N#Cc1cnc(NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000413030830 534825982 /nfs/dbraw/zinc/82/59/82/534825982.db2.gz WGYGRKSMUXODEM-KRWDZBQOSA-N 0 3 310.376 3.341 20 30 DGEDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000266541156 525526226 /nfs/dbraw/zinc/52/62/26/525526226.db2.gz HDSQINSBSRHNAI-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN C=CCN(CCOc1ccccc1OC)CCc1ccco1 ZINC000352700553 526306744 /nfs/dbraw/zinc/30/67/44/526306744.db2.gz RPFOMXNVHMDDLN-UHFFFAOYSA-N 0 3 301.386 3.398 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000355408818 526308295 /nfs/dbraw/zinc/30/82/95/526308295.db2.gz KIEBCQCCSGUNOC-IAGOWNOFSA-N 0 3 300.446 3.117 20 30 DGEDHN CC#CCCNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348130269 526339124 /nfs/dbraw/zinc/33/91/24/526339124.db2.gz BQGJLAMUTSVHDP-UHFFFAOYSA-N 0 3 307.319 3.394 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000357771067 526355779 /nfs/dbraw/zinc/35/57/79/526355779.db2.gz KCGWUNSPTGGDBP-KRWDZBQOSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355416492 526359742 /nfs/dbraw/zinc/35/97/42/526359742.db2.gz XDWUMTZSFGQVNB-GJZGRUSLSA-N 0 3 304.409 3.213 20 30 DGEDHN CNC(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 ZINC000330708295 526402490 /nfs/dbraw/zinc/40/24/90/526402490.db2.gz QVWSLGVVPQCAJI-QGZVFWFLSA-N 0 3 319.449 3.422 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccc(C)cc2)CC1 ZINC000171699451 526438790 /nfs/dbraw/zinc/43/87/90/526438790.db2.gz IBUYMFBLRJSJRL-GOSISDBHSA-N 0 3 315.461 3.396 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2OCC)CC1 ZINC000181621873 526447734 /nfs/dbraw/zinc/44/77/34/526447734.db2.gz VWXRKIKIRWVQJB-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CCN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429005271 526456132 /nfs/dbraw/zinc/45/61/32/526456132.db2.gz YRMGJNKTAUNHAC-ZDUSSCGKSA-N 0 3 302.187 3.177 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(OC)c1 ZINC000298875956 526538417 /nfs/dbraw/zinc/53/84/17/526538417.db2.gz LYIAFRCVRSLYJB-LSDHHAIUSA-N 0 3 304.434 3.159 20 30 DGEDHN CC(C)(C)OCCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428772134 526548651 /nfs/dbraw/zinc/54/86/51/526548651.db2.gz KMBHYOAWLLWPNP-MRXNPFEDSA-N 0 3 317.433 3.002 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000352211409 526564530 /nfs/dbraw/zinc/56/45/30/526564530.db2.gz RYSSQMRIZZSQBD-IRXDYDNUSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCNC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180072455 526572316 /nfs/dbraw/zinc/57/23/16/526572316.db2.gz NBRUWAQECWYCNG-OAHLLOKOSA-N 0 3 312.335 3.048 20 30 DGEDHN C=CCNC(=O)CN[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000180029403 526573529 /nfs/dbraw/zinc/57/35/29/526573529.db2.gz SFOJLSHGHXIKGB-MRXNPFEDSA-N 0 3 308.425 3.099 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccccc3F)CC2)CC1 ZINC000134862329 526581975 /nfs/dbraw/zinc/58/19/75/526581975.db2.gz INXICTDMEKPPQG-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000413236580 526591270 /nfs/dbraw/zinc/59/12/70/526591270.db2.gz KDOGOXJQZCARQY-WMZOPIPTSA-N 0 3 319.493 3.152 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@]23CCc2ccccc23)CC1 ZINC000173161426 526599072 /nfs/dbraw/zinc/59/90/72/526599072.db2.gz ILRYPDFCUFFVGM-CTNGQTDRSA-N 0 3 324.468 3.047 20 30 DGEDHN C=C(C)CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000427945057 526620415 /nfs/dbraw/zinc/62/04/15/526620415.db2.gz COMXYWZYSIQHFM-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H]2C(C)(C)O)ccc1OC ZINC000154421220 526660055 /nfs/dbraw/zinc/66/00/55/526660055.db2.gz WBGJJWVJSHQNTK-GOSISDBHSA-N 0 3 319.445 3.385 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](CO)CC2CCC2)ccc1OC ZINC000355488600 526663190 /nfs/dbraw/zinc/66/31/90/526663190.db2.gz VAPQEMYDFRBJLP-KRWDZBQOSA-N 0 3 319.445 3.291 20 30 DGEDHN C#CCC(C)(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000186177534 526665809 /nfs/dbraw/zinc/66/58/09/526665809.db2.gz AMBSHTRZKGMGSO-HNNXBMFYSA-N 0 3 300.446 3.282 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000185074628 526709161 /nfs/dbraw/zinc/70/91/61/526709161.db2.gz XBVYNCTXSQQEHQ-KRWDZBQOSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCN1CCN([C@H](C)CCSc2ccccc2)CC1 ZINC000127237450 526729987 /nfs/dbraw/zinc/72/99/87/526729987.db2.gz KPXNVOSGZZCJDP-QGZVFWFLSA-N 0 3 302.487 3.198 20 30 DGEDHN C=CCOCCCN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000348057251 526756226 /nfs/dbraw/zinc/75/62/26/526756226.db2.gz SYJPEYBGCBQWGB-UHFFFAOYSA-N 0 3 302.462 3.176 20 30 DGEDHN C=CCOCCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000339050529 526770918 /nfs/dbraw/zinc/77/09/18/526770918.db2.gz GQSYGHFKXUGXBG-ZDUSSCGKSA-N 0 3 304.365 3.349 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000435740195 526802088 /nfs/dbraw/zinc/80/20/88/526802088.db2.gz CNLSMWXXYQQGTG-DEYYWGMASA-N 0 3 317.429 3.089 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1OC ZINC000443784106 526872194 /nfs/dbraw/zinc/87/21/94/526872194.db2.gz RZUVYUUZEFSSIY-UXLLHSPISA-N 0 3 319.445 3.241 20 30 DGEDHN C=C(CNCc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000343817407 526881417 /nfs/dbraw/zinc/88/14/17/526881417.db2.gz UXIBALBEJFXOFA-UHFFFAOYSA-N 0 3 304.397 3.379 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](C(=O)OCC)C2)c1 ZINC000352726216 526899606 /nfs/dbraw/zinc/89/96/06/526899606.db2.gz SDJLQMQRVZNKGR-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000295903263 526926815 /nfs/dbraw/zinc/92/68/15/526926815.db2.gz ZHGLYFLPAXKJKB-UXHICEINSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CC1CCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1 ZINC000348176579 526979192 /nfs/dbraw/zinc/97/91/92/526979192.db2.gz AJQAIFWGKFUPES-UHFFFAOYSA-N 0 3 312.457 3.384 20 30 DGEDHN C=CCSCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000358015795 527005600 /nfs/dbraw/zinc/00/56/00/527005600.db2.gz GGVBXKQXLUCOCY-LBPRGKRZSA-N 0 3 308.447 3.223 20 30 DGEDHN C=CCSCCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000180457092 527006711 /nfs/dbraw/zinc/00/67/11/527006711.db2.gz JVCXJPGRSSPMKE-CQSZACIVSA-N 0 3 304.459 3.383 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000342080802 527025477 /nfs/dbraw/zinc/02/54/77/527025477.db2.gz BLQSRSUJNUYRGV-CRAIPNDOSA-N 0 3 315.461 3.087 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](C)c1nc(C)cs1 ZINC000184116465 527127324 /nfs/dbraw/zinc/12/73/24/527127324.db2.gz WLXCMOAJCXOCJM-ZDUSSCGKSA-N 0 3 300.427 3.357 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357284299 527132218 /nfs/dbraw/zinc/13/22/18/527132218.db2.gz NMWRTBMRENWKDF-YQQAZPJKSA-N 0 3 303.450 3.250 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177968841 527139054 /nfs/dbraw/zinc/13/90/54/527139054.db2.gz YVYIUPADYMCHFA-QWHCGFSZSA-N 0 3 315.866 3.304 20 30 DGEDHN C=CCCCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000351709222 527157074 /nfs/dbraw/zinc/15/70/74/527157074.db2.gz JNKFESIDBDMBKA-UHFFFAOYSA-N 0 3 315.461 3.090 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354219556 527197757 /nfs/dbraw/zinc/19/77/57/527197757.db2.gz CSZFWYDTETXTNN-QGZVFWFLSA-N 0 3 314.429 3.381 20 30 DGEDHN C=CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338748044 527221795 /nfs/dbraw/zinc/22/17/95/527221795.db2.gz JCGDRRCBNWXAFT-HNNXBMFYSA-N 0 3 309.841 3.208 20 30 DGEDHN C=CCc1cc(CN2C[C@H](C)N(CC)C[C@@H]2C)cc(OC)c1O ZINC000353801448 527238703 /nfs/dbraw/zinc/23/87/03/527238703.db2.gz FQQCNJCIKKOSDU-GJZGRUSLSA-N 0 3 318.461 3.044 20 30 DGEDHN C=CCCOCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181534130 527370191 /nfs/dbraw/zinc/37/01/91/527370191.db2.gz ZLKDVTHVJCDVQL-UHFFFAOYSA-N 0 3 301.346 3.456 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000356256771 527388484 /nfs/dbraw/zinc/38/84/84/527388484.db2.gz PTRMPUIXOULGHH-QAPCUYQASA-N 0 3 311.429 3.095 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000159156699 527440891 /nfs/dbraw/zinc/44/08/91/527440891.db2.gz LMAPTTQHYWBESS-CRAIPNDOSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000159156554 527441273 /nfs/dbraw/zinc/44/12/73/527441273.db2.gz LMAPTTQHYWBESS-MAUKXSAKSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccccc1 ZINC000180037206 527447638 /nfs/dbraw/zinc/44/76/38/527447638.db2.gz INMSROGUKSAVPN-MRXNPFEDSA-N 0 3 312.417 3.262 20 30 DGEDHN C=CCC[C@@H](O)CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000154481175 527453171 /nfs/dbraw/zinc/45/31/71/527453171.db2.gz SYETZYLSMLETLQ-MRXNPFEDSA-N 0 3 322.424 3.192 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000427751794 527463898 /nfs/dbraw/zinc/46/38/98/527463898.db2.gz IFTDJCLHCHRSPN-ZYSHUDEJSA-N 0 3 312.457 3.335 20 30 DGEDHN CC(C)(C#N)CCCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179551470 527464105 /nfs/dbraw/zinc/46/41/05/527464105.db2.gz XXTZJABZGBVBJY-KRWDZBQOSA-N 0 3 313.445 3.270 20 30 DGEDHN CC(C)(C#N)CCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000347188058 527466796 /nfs/dbraw/zinc/46/67/96/527466796.db2.gz DZOOUIIYTVFYPA-UHFFFAOYSA-N 0 3 304.409 3.135 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000159156418 527478581 /nfs/dbraw/zinc/47/85/81/527478581.db2.gz LMAPTTQHYWBESS-QAPCUYQASA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](NCC1(OCCOC)CCOCC1)c1ccco1 ZINC000296495757 527483840 /nfs/dbraw/zinc/48/38/40/527483840.db2.gz OVFCAGINJUUJNF-INIZCTEOSA-N 0 3 323.433 3.089 20 30 DGEDHN C=CCC[C@H](NC[C@H]1CN(CC(C)C)CCO1)c1ccco1 ZINC000353445023 527485673 /nfs/dbraw/zinc/48/56/73/527485673.db2.gz WBISJSPOVPXDDC-IRXDYDNUSA-N 0 3 306.450 3.233 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000337607692 527510140 /nfs/dbraw/zinc/51/01/40/527510140.db2.gz RABIYKJSGPIQEH-ZBFHGGJFSA-N 0 3 301.434 3.409 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000344078284 527519083 /nfs/dbraw/zinc/51/90/83/527519083.db2.gz PDLPKPFNMZPJDI-MJGOQNOKSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(CC)CC ZINC000432444624 527563822 /nfs/dbraw/zinc/56/38/22/527563822.db2.gz PULGENRHVQHXPT-GOSISDBHSA-N 0 3 317.477 3.459 20 30 DGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000358303349 527571395 /nfs/dbraw/zinc/57/13/95/527571395.db2.gz QSPLKAFKSRLXQY-GJZGRUSLSA-N 0 3 322.474 3.086 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000429719906 527574749 /nfs/dbraw/zinc/57/47/49/527574749.db2.gz PLDPLJVWVBJBFJ-CQSZACIVSA-N 0 3 323.868 3.107 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2cccs2)o1 ZINC000429719738 527574899 /nfs/dbraw/zinc/57/48/99/527574899.db2.gz HJBOALKSZBLIOU-UHFFFAOYSA-N 0 3 305.447 3.343 20 30 DGEDHN C=C[C@H](CO)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000353575246 527593439 /nfs/dbraw/zinc/59/34/39/527593439.db2.gz KGYWVLRYKMOSRN-OLZOCXBDSA-N 0 3 302.187 3.176 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)n(C)c1C)C(C)C ZINC000344774402 527649935 /nfs/dbraw/zinc/64/99/35/527649935.db2.gz MAAVWCWPCAGKEV-GOSISDBHSA-N 0 3 317.477 3.070 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1Cc2ccccc21)C(C)C ZINC000359299975 527650160 /nfs/dbraw/zinc/65/01/60/527650160.db2.gz UBNABIHPGDCGOK-RBUKOAKNSA-N 0 3 312.457 3.141 20 30 DGEDHN CCO[C@@H](CNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000441339665 527736189 /nfs/dbraw/zinc/73/61/89/527736189.db2.gz ZUGNWVYTXFOXGT-IBGZPJMESA-N 0 3 310.397 3.434 20 30 DGEDHN CCN(CCc1cccs1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343568793 528598342 /nfs/dbraw/zinc/59/83/42/528598342.db2.gz PKBYAHDGBHGOKY-PBHICJAKSA-N 0 3 321.490 3.055 20 30 DGEDHN CCOc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1OC(F)F ZINC000349848266 528656582 /nfs/dbraw/zinc/65/65/82/528656582.db2.gz ADHHVUHXXBGLIP-DGCLKSJQSA-N 0 3 310.344 3.469 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000353219085 528696026 /nfs/dbraw/zinc/69/60/26/528696026.db2.gz LXCWLKGOSKGCOK-JFIYKMOQSA-N 0 3 313.445 3.078 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCCO1 ZINC000342258472 528733094 /nfs/dbraw/zinc/73/30/94/528733094.db2.gz RIEBWORSJPPMSA-ROUUACIJSA-N 0 3 314.429 3.032 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000330686642 529008158 /nfs/dbraw/zinc/00/81/58/529008158.db2.gz VLUIWTMLKORKCU-AWEZNQCLSA-N 0 3 305.378 3.082 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000182597881 529198658 /nfs/dbraw/zinc/19/86/58/529198658.db2.gz ZHFIIOCDAHXYQR-SWLSCSKDSA-N 0 3 307.825 3.141 20 30 DGEDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000299519858 529260010 /nfs/dbraw/zinc/26/00/10/529260010.db2.gz CWHZUOIGCPUEFY-SFHVURJKSA-N 0 3 322.412 3.365 20 30 DGEDHN CC[C@H](C)n1ncc(NC(=O)NCCN2CCC(C)CC2)c1C ZINC000331097739 529291394 /nfs/dbraw/zinc/29/13/94/529291394.db2.gz BEDXGORXAZGGTC-AWEZNQCLSA-N 0 3 321.469 3.220 20 30 DGEDHN CC[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000343657076 529297626 /nfs/dbraw/zinc/29/76/26/529297626.db2.gz KLALILLIJBHBHG-KRWDZBQOSA-N 0 3 302.418 3.370 20 30 DGEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343454274 529314656 /nfs/dbraw/zinc/31/46/56/529314656.db2.gz VHCPKFBOWIOVMG-CTMQZQKCSA-N 0 3 307.482 3.284 20 30 DGEDHN CC[C@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348460398 529315675 /nfs/dbraw/zinc/31/56/75/529315675.db2.gz GYSLMFQMOCZDPF-ZIAGYGMSSA-N 0 3 323.318 3.088 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357850005 529351416 /nfs/dbraw/zinc/35/14/16/529351416.db2.gz LATDPBPOJGGGAO-QGPMSJSTSA-N 0 3 301.434 3.042 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@H]1n1cccn1 ZINC000449657179 534997351 /nfs/dbraw/zinc/99/73/51/534997351.db2.gz NYBNQFXEBXGRCI-KZNAEPCWSA-N 0 3 324.428 3.042 20 30 DGEDHN CO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000449505139 536688124 /nfs/dbraw/zinc/68/81/24/536688124.db2.gz QXZAFISFXLHQQM-MAUKXSAKSA-N 0 3 302.418 3.226 20 30 DGEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(/C=C/C)cc1OC ZINC000046342247 545681243 /nfs/dbraw/zinc/68/12/43/545681243.db2.gz NCRVAZHKSDYFIX-JKNJVXJCSA-N 0 3 319.445 3.366 20 30 DGEDHN C=CCN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153131182 546007381 /nfs/dbraw/zinc/00/73/81/546007381.db2.gz YHUDSQXNEHDDCK-LLVKDONJSA-N 0 3 310.323 3.114 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000453361107 546859566 /nfs/dbraw/zinc/85/95/66/546859566.db2.gz QHLFRAPTQOKPKT-XHSDSOJGSA-N 0 3 303.402 3.014 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000453361104 546860544 /nfs/dbraw/zinc/86/05/44/546860544.db2.gz QHLFRAPTQOKPKT-OAGGEKHMSA-N 0 3 303.402 3.014 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2cccc(F)c2)C(C)(C)C)C1=O ZINC000499613207 546940646 /nfs/dbraw/zinc/94/06/46/546940646.db2.gz VVAUVQRVXPOION-JKSUJKDBSA-N 0 3 304.409 3.289 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513264980 546951475 /nfs/dbraw/zinc/95/14/75/546951475.db2.gz BAJNCDJVTFDOAJ-SJLPKXTDSA-N 0 3 300.446 3.494 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 ZINC000668370222 547446375 /nfs/dbraw/zinc/44/63/75/547446375.db2.gz QPGJDKNQICKZLD-QAQDUYKDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H]3COC[C@]3(C)C2)cc1Cl ZINC000668595273 547488318 /nfs/dbraw/zinc/48/83/18/547488318.db2.gz LFADXQQMDKMHEV-PBHICJAKSA-N 0 3 307.821 3.373 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1OC ZINC000668707054 547515200 /nfs/dbraw/zinc/51/52/00/547515200.db2.gz XAZOAJNTYNETCK-SJORKVTESA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCc1cc(CN(C)CC2=CCSC2)cc(OC)c1O ZINC000668775483 547537299 /nfs/dbraw/zinc/53/72/99/547537299.db2.gz LJAXNEGUJVLZPN-UHFFFAOYSA-N 0 3 305.443 3.234 20 30 DGEDHN C=C(C)CN(CCCc1cnn(C)c1)Cc1cnn(C(C)C)c1 ZINC000671724485 547816289 /nfs/dbraw/zinc/81/62/89/547816289.db2.gz QOZCOOORFLJHKU-UHFFFAOYSA-N 0 3 315.465 3.208 20 30 DGEDHN CC(C)(C)CN(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000673927306 548012519 /nfs/dbraw/zinc/01/25/19/548012519.db2.gz SEIYGXJWNDRVBL-UHFFFAOYSA-N 0 3 313.363 3.397 20 30 DGEDHN C=C[C@@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674981213 548144196 /nfs/dbraw/zinc/14/41/96/548144196.db2.gz VFNRXUDLPJRIGF-NVXWUHKLSA-N 0 3 301.434 3.087 20 30 DGEDHN C=C(C)[C@H](CO)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000677047989 548442214 /nfs/dbraw/zinc/44/22/14/548442214.db2.gz MTQKPZKXWLNSBO-HNNXBMFYSA-N 0 3 324.262 3.350 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000677048145 548443230 /nfs/dbraw/zinc/44/32/30/548443230.db2.gz NYOVFZDCPRFXJS-IBGZPJMESA-N 0 3 314.429 3.293 20 30 DGEDHN C=C(C)COc1cc(CN(CCO)CC(C)(C)C)ccc1OC ZINC000678241958 548652762 /nfs/dbraw/zinc/65/27/62/548652762.db2.gz QOJFDPPZKNCRLO-UHFFFAOYSA-N 0 3 321.461 3.491 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000678638237 548745278 /nfs/dbraw/zinc/74/52/78/548745278.db2.gz HOAOBOXXLJMUIR-ZWKOTPCHSA-N 0 3 301.405 3.316 20 30 DGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000678733568 548754937 /nfs/dbraw/zinc/75/49/37/548754937.db2.gz NFTFFHBHFALDKV-GWCFXTLKSA-N 0 3 314.223 3.045 20 30 DGEDHN COCC#CCN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000678751167 548757035 /nfs/dbraw/zinc/75/70/35/548757035.db2.gz DLHUJAHHNWCZIV-OAHLLOKOSA-N 0 3 305.418 3.030 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000681060291 549154563 /nfs/dbraw/zinc/15/45/63/549154563.db2.gz CDUCUFMBCLUTGH-OAHLLOKOSA-N 0 3 316.445 3.184 20 30 DGEDHN C=CCCCCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000681190666 549173163 /nfs/dbraw/zinc/17/31/63/549173163.db2.gz DAZRWLBTJXXTNM-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000681791137 549256443 /nfs/dbraw/zinc/25/64/43/549256443.db2.gz KEIDFOYBHZXMGG-KRWDZBQOSA-N 0 3 301.434 3.041 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000682416635 549319406 /nfs/dbraw/zinc/31/94/06/549319406.db2.gz FHYXUQVEUXWARH-SFHVURJKSA-N 0 3 315.461 3.116 20 30 DGEDHN CC[C@@](C)(NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000730816908 574536552 /nfs/dbraw/zinc/53/65/52/574536552.db2.gz CZKMMXNWCHDSOG-GOSISDBHSA-N 0 3 305.385 3.016 20 30 DGEDHN CC[C@@H](C)CN(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000732205853 574568266 /nfs/dbraw/zinc/56/82/66/574568266.db2.gz NPNZKDSJKRPSHE-HIFRSBDPSA-N 0 3 322.412 3.202 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CCSCC2)cc1 ZINC000733052811 574593164 /nfs/dbraw/zinc/59/31/64/574593164.db2.gz GMRCODXBWCVQMR-OAHLLOKOSA-N 0 3 316.426 3.040 20 30 DGEDHN C#CCOc1ccc(CNC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000733322986 574615567 /nfs/dbraw/zinc/61/55/67/574615567.db2.gz ZQCMBVHVPCYZPI-SFHVURJKSA-N 0 3 314.454 3.153 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@@H]1CCCN1Cc1ccccc1 ZINC000734096887 574650836 /nfs/dbraw/zinc/65/08/36/574650836.db2.gz SADRYGYUQBORCS-XESZTULISA-N 0 3 324.424 3.484 20 30 DGEDHN C#CCOc1ccccc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000734159122 574653563 /nfs/dbraw/zinc/65/35/63/574653563.db2.gz GYZVAJZQXRGYHB-JXMROGBWSA-N 0 3 322.364 3.410 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2oc3c(cccc3C)c2C)CC1 ZINC000740736231 574940807 /nfs/dbraw/zinc/94/08/07/574940807.db2.gz KGMYTNYVTTZULU-UHFFFAOYSA-N 0 3 324.424 3.267 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C\c2cc(C)c(C)cc2C)CC1 ZINC000740735901 574940869 /nfs/dbraw/zinc/94/08/69/574940869.db2.gz UFUJPQSMAZEUPR-FPLPWBNLSA-N 0 3 324.468 3.229 20 30 DGEDHN C=C(Cl)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000740916770 574945939 /nfs/dbraw/zinc/94/59/39/574945939.db2.gz BZMNDBRPHSKSLL-HNNXBMFYSA-N 0 3 321.852 3.045 20 30 DGEDHN C[C@@H]1CC(=NNC(=S)Nc2cccc(Cl)c2)CCN1C ZINC000741458765 574958359 /nfs/dbraw/zinc/95/83/59/574958359.db2.gz XXWKTEJEDPXOCK-SNVBAGLBSA-N 0 3 310.854 3.097 20 30 DGEDHN CCN(CCNCc1ccc(OC)c(C#N)c1)c1ccccc1C ZINC000742367377 574992613 /nfs/dbraw/zinc/99/26/13/574992613.db2.gz QNCNYOREZSSZEV-UHFFFAOYSA-N 0 3 323.440 3.491 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000742707006 575013955 /nfs/dbraw/zinc/01/39/55/575013955.db2.gz SZXGBIGTSRCNFZ-XJKSGUPXSA-N 0 3 304.409 3.031 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1 ZINC000743863587 575066181 /nfs/dbraw/zinc/06/61/81/575066181.db2.gz USTJGDBEQLXWQJ-DYESRHJHSA-N 0 3 323.436 3.295 20 30 DGEDHN CCN(CCOc1ccccc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000743866097 575066841 /nfs/dbraw/zinc/06/68/41/575066841.db2.gz GKEXZFWZUWHIDL-LJQANCHMSA-N 0 3 324.424 3.301 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C)c1 ZINC000744026952 575069136 /nfs/dbraw/zinc/06/91/36/575069136.db2.gz CEYQLFZBDRGCMP-LMRWQKIVSA-N 0 3 314.385 3.335 20 30 DGEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000744028787 575069193 /nfs/dbraw/zinc/06/91/93/575069193.db2.gz MLIABGAPPMJYAU-HIFRSBDPSA-N 0 3 310.353 3.348 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3Cc4ccccc43)nc21 ZINC000744159535 575075257 /nfs/dbraw/zinc/07/52/57/575075257.db2.gz DOYVYDCLZNPLAG-HUUCEWRRSA-N 0 3 301.349 3.388 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C(\CC)c2ccc(C)cc2)CC1 ZINC000747404160 575516144 /nfs/dbraw/zinc/51/61/44/575516144.db2.gz HKNCJBQHOOPCTP-FBMGVBCBSA-N 0 3 324.468 3.392 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(OC)n2)c([O-])c1 ZINC000748035013 575557825 /nfs/dbraw/zinc/55/78/25/575557825.db2.gz YJYOAUSZSHCVJP-XDHOZWIPSA-N 0 3 313.401 3.261 20 30 DGEDHN COc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1C#N ZINC000748246840 575574844 /nfs/dbraw/zinc/57/48/44/575574844.db2.gz QBJKFAUVZGGBME-KRWDZBQOSA-N 0 3 312.417 3.177 20 30 DGEDHN Cc1cc(C)nc(N=NC2CCCC[C@H]2N2CCCCC2)n1 ZINC000748777612 575606196 /nfs/dbraw/zinc/60/61/96/575606196.db2.gz DIWYQTUGQDHIHE-MRXNPFEDSA-N 0 3 301.438 3.290 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C)ns1)C(C)C ZINC000749234062 575636928 /nfs/dbraw/zinc/63/69/28/575636928.db2.gz RPHLBHJCUXBYCB-CQSZACIVSA-N 0 3 322.478 3.272 20 30 DGEDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccnc(C#N)c1 ZINC000749515581 575663232 /nfs/dbraw/zinc/66/32/32/575663232.db2.gz VESAKBJTPDEHEM-UHFFFAOYSA-N 0 3 308.429 3.430 20 30 DGEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)ccn1 ZINC000749523317 575663881 /nfs/dbraw/zinc/66/38/81/575663881.db2.gz UBRYBDJJWIIGIT-MOPGFXCFSA-N 0 3 307.397 3.041 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000750029849 575699148 /nfs/dbraw/zinc/69/91/48/575699148.db2.gz PKGROFWKTKTHAY-LJQANCHMSA-N 0 3 306.413 3.227 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000750057296 575700988 /nfs/dbraw/zinc/70/09/88/575700988.db2.gz TZSTUDVGLJKZDQ-FQEVSTJZSA-N 0 3 323.415 3.404 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000750880746 575757645 /nfs/dbraw/zinc/75/76/45/575757645.db2.gz WNRODNOICMIDOR-KXBFYZLASA-N 0 3 312.457 3.064 20 30 DGEDHN C[C@H](NC(=S)NN=C1CCCC[C@@H]1N1CCCCC1)C1CC1 ZINC000751531504 575789238 /nfs/dbraw/zinc/78/92/38/575789238.db2.gz LNHHKJOFBRBGGD-BBRMVZONSA-N 0 3 322.522 3.034 20 30 DGEDHN C[C@H](C#N)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000751779199 575804469 /nfs/dbraw/zinc/80/44/69/575804469.db2.gz CGKQZSILOIDOLA-OAHLLOKOSA-N 0 3 308.381 3.387 20 30 DGEDHN CCc1cc(NCCNc2ncccc2C#N)c2ccccc2n1 ZINC000751868459 575807999 /nfs/dbraw/zinc/80/79/99/575807999.db2.gz OPXPYJCEVLHNCC-UHFFFAOYSA-N 0 3 317.396 3.010 20 30 DGEDHN N#CCOc1ccc(CN2CCC(C3CCOCC3)CC2)cc1 ZINC000752149733 575825017 /nfs/dbraw/zinc/82/50/17/575825017.db2.gz VMVZIVCRZFADQG-UHFFFAOYSA-N 0 3 314.429 3.228 20 30 DGEDHN CCN(CC)c1ccc(C=NNCCN2CCCCC2)cc1F ZINC000739411899 575913845 /nfs/dbraw/zinc/91/38/45/575913845.db2.gz RLWFLCBWUITWFU-UHFFFAOYSA-N 0 3 320.456 3.081 20 30 DGEDHN CC[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000727833004 576147896 /nfs/dbraw/zinc/14/78/96/576147896.db2.gz ICFXMSNTYJWAFC-STQMWFEESA-N 0 3 313.426 3.347 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCCOc2ccc(F)cc2)cc1 ZINC000728711516 576197396 /nfs/dbraw/zinc/19/73/96/576197396.db2.gz BROBETFSLOQHIM-AWEZNQCLSA-N 0 3 314.360 3.285 20 30 DGEDHN CN(C)Cc1ccc(CN(C)C(=O)c2cccc(CC#N)c2)cc1 ZINC000738524987 576211527 /nfs/dbraw/zinc/21/15/27/576211527.db2.gz YDCKXAORHZSBFO-UHFFFAOYSA-N 0 3 321.424 3.086 20 30 DGEDHN CCN(Cc1cc(C#N)ccc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000154142712 620643503 /nfs/dbraw/zinc/64/35/03/620643503.db2.gz XNARVFDOGWARFH-LJQANCHMSA-N 0 3 324.424 3.431 20 30 DGEDHN C#CCCN(CCOC)Cc1cc(Cl)nc2ccccc12 ZINC000852748584 620645687 /nfs/dbraw/zinc/64/56/87/620645687.db2.gz DPXHRGYARWNRES-UHFFFAOYSA-N 0 3 302.805 3.360 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(C2CCCCC2)CC1 ZINC000917060575 620654243 /nfs/dbraw/zinc/65/42/43/620654243.db2.gz XVNDOIUOPMOMKS-HNNXBMFYSA-N 0 3 305.466 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(F)cc2C)CC1 ZINC000917142185 620658309 /nfs/dbraw/zinc/65/83/09/620658309.db2.gz UBEJOKFGXQZVJG-CQSZACIVSA-N 0 3 319.424 3.145 20 30 DGEDHN CC1(CNN=Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000853349135 620688902 /nfs/dbraw/zinc/68/89/02/620688902.db2.gz VADCADUJRFZCKK-UHFFFAOYSA-N 0 3 315.461 3.152 20 30 DGEDHN Cc1ccc(CNN=Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853354436 620689076 /nfs/dbraw/zinc/68/90/76/620689076.db2.gz JCMSOLQFRKTIRU-UHFFFAOYSA-N 0 3 323.440 3.080 20 30 DGEDHN CCCCCCCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000918493769 620709906 /nfs/dbraw/zinc/70/99/06/620709906.db2.gz CUVSZPFUPOYZRE-NEPJUHHUSA-N 0 3 323.355 3.347 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000853598432 620714350 /nfs/dbraw/zinc/71/43/50/620714350.db2.gz RALXOWHVUFIVPS-GBESFXJTSA-N 0 3 310.441 3.218 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1cc(Br)cnc1C#N ZINC000853748969 620732955 /nfs/dbraw/zinc/73/29/55/620732955.db2.gz UZXVVCWXXBKTLT-NSHDSACASA-N 0 3 323.238 3.000 20 30 DGEDHN C=CCCCN(CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000890814467 617684652 /nfs/dbraw/zinc/68/46/52/617684652.db2.gz RRPPZKNDXGYXGN-SFHVURJKSA-N 0 3 315.461 3.108 20 30 DGEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cc1CO)c1ccco1 ZINC000892075160 617957074 /nfs/dbraw/zinc/95/70/74/617957074.db2.gz LIYUZPSOYNQZIM-KRWDZBQOSA-N 0 3 313.401 3.139 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000919785168 620765899 /nfs/dbraw/zinc/76/58/99/620765899.db2.gz WXYQKTQALHEIQR-SJLPKXTDSA-N 0 3 315.461 3.428 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(Cl)nc(COCC)n2)CC1 ZINC000892396847 618056161 /nfs/dbraw/zinc/05/61/61/618056161.db2.gz RLXJLXMSHGLJID-UHFFFAOYSA-N 0 3 324.856 3.119 20 30 DGEDHN CN(C)Cc1cccc(C(=O)Nc2ccc(CCC#N)cc2)c1 ZINC000928405190 618304740 /nfs/dbraw/zinc/30/47/40/618304740.db2.gz ZKARSFLTFSMCRN-UHFFFAOYSA-N 0 3 307.397 3.457 20 30 DGEDHN C=C1CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000894761676 618451644 /nfs/dbraw/zinc/45/16/44/618451644.db2.gz AOPDAOIZKCXPQO-LSDHHAIUSA-N 0 3 305.422 3.070 20 30 DGEDHN C#C[C@@H](NCCC[C@H]1CCO1)c1ccc(Br)cc1 ZINC000894871003 618484442 /nfs/dbraw/zinc/48/44/42/618484442.db2.gz RHSSXKDSYIUIIT-LSDHHAIUSA-N 0 3 308.219 3.282 20 30 DGEDHN C=CC[C@@H](CO)CNCc1nc(-c2cccc(OC)c2)cs1 ZINC000893284926 618496557 /nfs/dbraw/zinc/49/65/57/618496557.db2.gz VKDYLJDUDLQDOI-CYBMUJFWSA-N 0 3 318.442 3.093 20 30 DGEDHN COc1ccc([C@@H](OC)[C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000893296953 618502013 /nfs/dbraw/zinc/50/20/13/618502013.db2.gz GPQSKGDAWJCNTK-UZLBHIALSA-N 0 3 309.409 3.413 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)C(C)(C)C#N)cc1C(F)(F)F ZINC000894984018 618507914 /nfs/dbraw/zinc/50/79/14/618507914.db2.gz WDEQFZYCRITWOF-UHFFFAOYSA-N 0 3 313.323 3.255 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895018956 618514747 /nfs/dbraw/zinc/51/47/47/618514747.db2.gz VSIAZEHDWYSBBF-KBRIMQKVSA-N 0 3 318.392 3.185 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000925649182 618520103 /nfs/dbraw/zinc/52/01/03/618520103.db2.gz BQRCVDZVJVWQCX-UKRRQHHQSA-N 0 3 317.408 3.239 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)CC(C)(C)C#N ZINC000925711710 618544033 /nfs/dbraw/zinc/54/40/33/618544033.db2.gz VMLXSKLJCVFZNQ-INIZCTEOSA-N 0 3 314.477 3.487 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@](C)(CNCC(C)(C)C#N)C1 ZINC000893552225 618601630 /nfs/dbraw/zinc/60/16/30/618601630.db2.gz SFWKXSWXUHDJIT-QGZVFWFLSA-N 0 3 309.454 3.163 20 30 DGEDHN CCc1[nH]c(CN[C@H](C)c2ccc(C#N)cc2)cc1C(=O)OC ZINC000894164718 618722290 /nfs/dbraw/zinc/72/22/90/618722290.db2.gz JFFBGXGEKMGYDY-GFCCVEGCSA-N 0 3 311.385 3.086 20 30 DGEDHN N#C[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000928217594 618759418 /nfs/dbraw/zinc/75/94/18/618759418.db2.gz RISJCORJGZHWGS-QGZVFWFLSA-N 0 3 311.429 3.048 20 30 DGEDHN C#CCCN(CCOC)Cc1cccc(Oc2ccccn2)c1 ZINC000895471058 618787730 /nfs/dbraw/zinc/78/77/30/618787730.db2.gz JLEWDNATAMAGDK-UHFFFAOYSA-N 0 3 310.397 3.346 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000895494370 618791332 /nfs/dbraw/zinc/79/13/32/618791332.db2.gz FRGHEUGIQTYMJY-IVMMDQJWSA-N 0 3 317.820 3.117 20 30 DGEDHN C=CC[C@@H]1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC000895560323 618799142 /nfs/dbraw/zinc/79/91/42/618799142.db2.gz QZUZGOZCPYNODW-CYBMUJFWSA-N 0 3 318.421 3.222 20 30 DGEDHN C=CCc1cc(CN2CCC(O)(CC=C)CC2)cc(OC)c1O ZINC000895835662 618839757 /nfs/dbraw/zinc/83/97/57/618839757.db2.gz KMZIBTPHTQJJFK-UHFFFAOYSA-N 0 3 317.429 3.032 20 30 DGEDHN COc1ccc(C2=NO[C@H](CN[C@H](C)CC(C)(C)C#N)C2)cc1 ZINC000895979049 618857359 /nfs/dbraw/zinc/85/73/59/618857359.db2.gz YELXPZDKWMBFAT-CJNGLKHVSA-N 0 3 315.417 3.106 20 30 DGEDHN C=CCOc1ccccc1CN1CCC(c2ccn(C)n2)CC1 ZINC000896501115 618921452 /nfs/dbraw/zinc/92/14/52/618921452.db2.gz ORZVDPBDPZITTG-UHFFFAOYSA-N 0 3 311.429 3.365 20 30 DGEDHN Cc1nn(C)c(CNC(C)(C)Cc2ccc(C#N)cc2)c1Cl ZINC000896632628 618937154 /nfs/dbraw/zinc/93/71/54/618937154.db2.gz KNDXFDIFNIQFJC-UHFFFAOYSA-N 0 3 316.836 3.365 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000840708150 618981435 /nfs/dbraw/zinc/98/14/35/618981435.db2.gz DGMDOBWYHBDIIC-VCRXTVNUSA-N 0 3 314.433 3.022 20 30 DGEDHN C=CCOc1ccccc1CN1CCC(O)(C2CCC2)CC1 ZINC000897034855 619004751 /nfs/dbraw/zinc/00/47/51/619004751.db2.gz NUYGNLOBLKOWEZ-UHFFFAOYSA-N 0 3 301.430 3.378 20 30 DGEDHN CCc1noc([C@@H]2CC[C@H](NCc3cccc(F)c3C#N)C2)n1 ZINC000897046428 619006152 /nfs/dbraw/zinc/00/61/52/619006152.db2.gz YYKBSVXWBVCBOG-YPMHNXCESA-N 0 3 314.364 3.069 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCC3(CCC3)O2)c1 ZINC000897246725 619036906 /nfs/dbraw/zinc/03/69/06/619036906.db2.gz YYXHWXWZMMKWQE-CQSZACIVSA-N 0 3 305.809 3.188 20 30 DGEDHN C=CC[C@H](CC)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897650757 619171467 /nfs/dbraw/zinc/17/14/67/619171467.db2.gz OBKUZYKMJYTANF-DOTOQJQBSA-N 0 3 304.434 3.205 20 30 DGEDHN COc1cc(CN2CC[C@@H](Cc3nccs3)C2)ccc1C#N ZINC000898070976 619212309 /nfs/dbraw/zinc/21/23/09/619212309.db2.gz CNTSQSUSMDKHHN-AWEZNQCLSA-N 0 3 313.426 3.088 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929165449 619241561 /nfs/dbraw/zinc/24/15/61/619241561.db2.gz WOEBLNNEAYBFLU-LSDHHAIUSA-N 0 3 312.335 3.490 20 30 DGEDHN C#CCN(C(=S)Nc1cc(C)ccc1C)C1CCN(C)CC1 ZINC000899613762 619361004 /nfs/dbraw/zinc/36/10/04/619361004.db2.gz NRKMHNVIKFPGLX-UHFFFAOYSA-N 0 3 315.486 3.030 20 30 DGEDHN C[C@]12CSC[C@H]1CN(Cn1ccc(-c3ccc(C#N)cc3)n1)C2 ZINC000902675514 619661715 /nfs/dbraw/zinc/66/17/15/619661715.db2.gz XILLMUFWJHFMED-AEFFLSMTSA-N 0 3 324.453 3.064 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902741294 619668497 /nfs/dbraw/zinc/66/84/97/619668497.db2.gz AEPDDWUCJXOGQG-VQIMIIECSA-N 0 3 320.440 3.268 20 30 DGEDHN C[C@@H](NCCN1CCCc2ccccc21)c1cc(C#N)ccn1 ZINC000902775976 619673929 /nfs/dbraw/zinc/67/39/29/619673929.db2.gz IKGKROUKPWYTJR-OAHLLOKOSA-N 0 3 306.413 3.057 20 30 DGEDHN CCN(CC)[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902780802 619674790 /nfs/dbraw/zinc/67/47/90/619674790.db2.gz TUOFSTCRVXCXNN-YOEHRIQHSA-N 0 3 312.417 3.280 20 30 DGEDHN COc1ccccc1O[C@@H](C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902821310 619679154 /nfs/dbraw/zinc/67/91/54/619679154.db2.gz HQYBQTWYWJTAIC-UONOGXRCSA-N 0 3 311.385 3.080 20 30 DGEDHN COc1cccc(OCCCN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902870028 619684900 /nfs/dbraw/zinc/68/49/00/619684900.db2.gz AJLOIGHILUIJQR-CQSZACIVSA-N 0 3 311.385 3.082 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902889355 619688858 /nfs/dbraw/zinc/68/88/58/619688858.db2.gz IDUUBNMJTXZODQ-ZBFHGGJFSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903025496 619706658 /nfs/dbraw/zinc/70/66/58/619706658.db2.gz DMRPVFKCOVIYJX-ZDUSSCGKSA-N 0 3 317.433 3.362 20 30 DGEDHN C[C@@H](NCC1(C(=O)OC(C)(C)C)CCC1)c1cc(C#N)ccn1 ZINC000903056068 619706987 /nfs/dbraw/zinc/70/69/87/619706987.db2.gz GWJLFEIGVSUHQT-CYBMUJFWSA-N 0 3 315.417 3.116 20 30 DGEDHN Cc1ccc(CN2CC[C@H](N[C@H](C)c3cc(C#N)ccn3)C2)cc1 ZINC000903081584 619712535 /nfs/dbraw/zinc/71/25/35/619712535.db2.gz ONPFTOPGUOCTAG-APWZRJJASA-N 0 3 320.440 3.187 20 30 DGEDHN C[C@@H](NCCSCCC(F)(F)F)c1cc(C#N)ccn1 ZINC000903080709 619712729 /nfs/dbraw/zinc/71/27/29/619712729.db2.gz LFBSPWWSOQIXPI-SNVBAGLBSA-N 0 3 303.353 3.289 20 30 DGEDHN C[C@@H](NC[C@@]1(C)OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000903087774 619713796 /nfs/dbraw/zinc/71/37/96/619713796.db2.gz ISMJZHBGDOSAFQ-AUUYWEPGSA-N 0 3 307.397 3.092 20 30 DGEDHN C[C@H](NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000903180339 619731246 /nfs/dbraw/zinc/73/12/46/619731246.db2.gz ZZZPOJQCQQPXBV-NURSFMCSSA-N 0 3 316.298 3.458 20 30 DGEDHN CCCCCCN([O-])C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000904207125 619893606 /nfs/dbraw/zinc/89/36/06/619893606.db2.gz RHKOZCXXOFJOHZ-OAHLLOKOSA-N 0 3 314.495 3.002 20 30 DGEDHN CCN(CC)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1F ZINC000905082784 619968435 /nfs/dbraw/zinc/96/84/35/619968435.db2.gz XBDDMOBARFYKCM-ZWSXMNCCSA-N 0 3 314.364 3.104 20 30 DGEDHN CC1/C(=C/c2ccc(CC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905087819 619968893 /nfs/dbraw/zinc/96/88/93/619968893.db2.gz ZRIXBHWIRMMADQ-TXEUWIOXSA-N 0 3 307.275 3.224 20 30 DGEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1C(F)(F)F ZINC000905087139 619968949 /nfs/dbraw/zinc/96/89/49/619968949.db2.gz WGHWVTQXOMLTGO-VKRGWIQLSA-N 0 3 307.275 3.446 20 30 DGEDHN C=CC[C@@H](NC[C@](C)(O)C(F)(F)C(F)(F)F)c1ccncc1 ZINC000905121082 619973023 /nfs/dbraw/zinc/97/30/23/619973023.db2.gz KHQDQLIBAQJKBN-NEPJUHHUSA-N 0 3 324.293 3.237 20 30 DGEDHN C=CCNC(=S)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000905595146 620010618 /nfs/dbraw/zinc/01/06/18/620010618.db2.gz FPKDTOSZKJIURR-UHFFFAOYSA-N 0 3 317.380 3.239 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000911927976 620352878 /nfs/dbraw/zinc/35/28/78/620352878.db2.gz JTVSORXKONRLAF-GFCCVEGCSA-N 0 3 302.296 3.207 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000911967437 620356832 /nfs/dbraw/zinc/35/68/32/620356832.db2.gz IDNPAAQWTUEGQU-JTQLQIEISA-N 0 3 307.444 3.494 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000912114608 620366426 /nfs/dbraw/zinc/36/64/26/620366426.db2.gz DSFRGDFGUZVHJC-IRXDYDNUSA-N 0 3 304.434 3.192 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000912259858 620374729 /nfs/dbraw/zinc/37/47/29/620374729.db2.gz YDCOEJORFUYIDM-INIZCTEOSA-N 0 3 310.401 3.074 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000912341322 620380310 /nfs/dbraw/zinc/38/03/10/620380310.db2.gz DFXMPJJGHFVBPA-DGCLKSJQSA-N 0 3 312.360 3.149 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000912372067 620383478 /nfs/dbraw/zinc/38/34/78/620383478.db2.gz CMCRWURPPVLUHX-FZMZJTMJSA-N 0 3 312.360 3.149 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000912479062 620390841 /nfs/dbraw/zinc/39/08/41/620390841.db2.gz NOZOEMYRQKWSOY-SFHVURJKSA-N 0 3 316.445 3.048 20 30 DGEDHN CN(C)c1ccc(/C=C\C=NN[C@@H]2CCOC(C)(C)C2)cc1 ZINC000834971189 620546167 /nfs/dbraw/zinc/54/61/67/620546167.db2.gz BCLDQZNFLOYLRU-PHMWROLGSA-N 0 3 301.434 3.299 20 30 DGEDHN CCc1ccc([C@H](C/N=C\c2cccc(O)c2O)N(C)C)cc1 ZINC000920944431 620828519 /nfs/dbraw/zinc/82/85/19/620828519.db2.gz FZCDUUCHGVWSRM-BRLDDBHUSA-N 0 3 312.413 3.382 20 30 DGEDHN CC(=O)Nc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921531367 620903464 /nfs/dbraw/zinc/90/34/64/620903464.db2.gz JGQVWYDTQPGHIP-UHFFFAOYSA-N 0 3 307.397 3.423 20 30 DGEDHN N#C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)C1CCCC1 ZINC000921561224 620909487 /nfs/dbraw/zinc/90/94/87/620909487.db2.gz VRIYKHIHZLFRIU-INIZCTEOSA-N 0 3 310.401 3.103 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC000921561803 620909550 /nfs/dbraw/zinc/90/95/50/620909550.db2.gz LMAUARJRPDWUJY-UAGQMJEPSA-N 0 3 301.434 3.086 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(C#N)ccc1F ZINC000888367909 620922089 /nfs/dbraw/zinc/92/20/89/620922089.db2.gz TZJUBCOGVDEMIJ-UHFFFAOYSA-N 0 3 318.396 3.037 20 30 DGEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC000888400483 620954340 /nfs/dbraw/zinc/95/43/40/620954340.db2.gz ZQXSVHGRLXECBL-DZGCQCFKSA-N 0 3 316.401 3.044 20 30 DGEDHN N#Cc1cc(CN[C@H]2CCN(c3ncccc3Cl)C2)cs1 ZINC000921837815 620959490 /nfs/dbraw/zinc/95/94/90/620959490.db2.gz RDFSUJKIEILQLA-LBPRGKRZSA-N 0 3 318.833 3.037 20 30 DGEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1C#N ZINC000921917286 620968303 /nfs/dbraw/zinc/96/83/03/620968303.db2.gz MCFNPBFSZCPXPM-UHFFFAOYSA-N 0 3 305.381 3.345 20 30 DGEDHN CSC1(CNCc2cc(C#N)ccc2Br)CC1 ZINC000922072927 620985742 /nfs/dbraw/zinc/98/57/42/620985742.db2.gz BNRRJRJXEOTBKK-UHFFFAOYSA-N 0 3 311.248 3.306 20 30 DGEDHN COCC1(CNCc2cc(C#N)ccc2Br)CCC1 ZINC000922104267 620989439 /nfs/dbraw/zinc/98/94/39/620989439.db2.gz LOAMABSOZWUSSR-UHFFFAOYSA-N 0 3 323.234 3.227 20 30 DGEDHN COCC(C)(C)CNCc1cc(C#N)ccc1Br ZINC000922142749 620994888 /nfs/dbraw/zinc/99/48/88/620994888.db2.gz GSWSGWNQMAZNTH-UHFFFAOYSA-N 0 3 311.223 3.083 20 30 DGEDHN N#CCCC[C@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000922144127 620995128 /nfs/dbraw/zinc/99/51/28/620995128.db2.gz CHZFEEVVBBIZGW-KRWDZBQOSA-N 0 3 300.381 3.377 20 30 DGEDHN Cc1nc(CN[C@H]2CC[C@@H](CC#N)C2)sc1Br ZINC000922161106 620997650 /nfs/dbraw/zinc/99/76/50/620997650.db2.gz SCXKDJBQMIGOQW-UWVGGRQHSA-N 0 3 314.252 3.386 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2csc(C#N)c2)C1 ZINC000922213138 621006503 /nfs/dbraw/zinc/00/65/03/621006503.db2.gz MOGOTNVOISZBPV-OLZOCXBDSA-N 0 3 306.431 3.220 20 30 DGEDHN Cc1ccc(CNCc2ccc(N(C)C(C)C)nc2)cc1C#N ZINC000922758500 621095513 /nfs/dbraw/zinc/09/55/13/621095513.db2.gz DFDDNWUBNJFEMQ-UHFFFAOYSA-N 0 3 308.429 3.396 20 30 DGEDHN COCCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922758456 621095690 /nfs/dbraw/zinc/09/56/90/621095690.db2.gz BMJHJTLHGOXQCF-UHFFFAOYSA-N 0 3 310.397 3.182 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1cc(Br)ccc1F ZINC000858332652 621176717 /nfs/dbraw/zinc/17/67/17/621176717.db2.gz ZAZNBYOSOUMPKK-ZDUSSCGKSA-N 0 3 314.198 3.106 20 30 DGEDHN C#CC[C@@H](COC)NCc1cnc(-c2c(F)cccc2F)s1 ZINC000858333966 621177005 /nfs/dbraw/zinc/17/70/05/621177005.db2.gz DZACSTFDBOJPQP-NSHDSACASA-N 0 3 322.380 3.216 20 30 DGEDHN C#CC[C@H](CCOC)NCc1cc(C(F)(F)F)ccc1F ZINC000858334746 621177647 /nfs/dbraw/zinc/17/76/47/621177647.db2.gz YLDPOUWBYNCMKN-CYBMUJFWSA-N 0 3 303.299 3.363 20 30 DGEDHN CC(=O)N(C)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000858498225 621198177 /nfs/dbraw/zinc/19/81/77/621198177.db2.gz MEBCFZZPSXDWCN-HXUWFJFHSA-N 0 3 319.408 3.318 20 30 DGEDHN Cc1ccccc1SC[C@H](C)CN1CCN(CCC#N)CC1 ZINC000859211340 621260608 /nfs/dbraw/zinc/26/06/08/621260608.db2.gz MKRRUFWQQWIKOH-MRXNPFEDSA-N 0 3 317.502 3.255 20 30 DGEDHN C#CCCN1CCN(C[C@@H](C)CSc2ccccc2C)CC1 ZINC000859214041 621261139 /nfs/dbraw/zinc/26/11/39/621261139.db2.gz UJKYVHRNOUCPLP-QGZVFWFLSA-N 0 3 316.514 3.364 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000838786653 621280748 /nfs/dbraw/zinc/28/07/48/621280748.db2.gz KBKMOZXSYWIPKW-YPMHNXCESA-N 0 3 308.328 3.324 20 30 DGEDHN CCCCCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000859704750 621311019 /nfs/dbraw/zinc/31/10/19/621311019.db2.gz ZNQZOBMEPCZLTL-UHFFFAOYSA-N 0 3 305.422 3.261 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000859824522 621331468 /nfs/dbraw/zinc/33/14/68/621331468.db2.gz BCIKVGQTLUTAES-OVZMXSCWSA-N 0 3 308.809 3.144 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000103330354 621348616 /nfs/dbraw/zinc/34/86/16/621348616.db2.gz VELCLLQSQCCBOV-HOTGVXAUSA-N 0 3 300.402 3.050 20 30 DGEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000103330150 621349095 /nfs/dbraw/zinc/34/90/95/621349095.db2.gz RZJNBNYPJRQBTI-SMDDNHRTSA-N 0 3 312.394 3.239 20 30 DGEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000103330155 621349118 /nfs/dbraw/zinc/34/91/18/621349118.db2.gz RZJNBNYPJRQBTI-FZMZJTMJSA-N 0 3 312.394 3.239 20 30 DGEDHN Cc1cc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)ccc1C#N ZINC000860097344 621365861 /nfs/dbraw/zinc/36/58/61/621365861.db2.gz REHSBNMPGSPWGB-AWEZNQCLSA-N 0 3 317.433 3.212 20 30 DGEDHN Cc1ccc(CO[C@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000860466146 621407937 /nfs/dbraw/zinc/40/79/37/621407937.db2.gz QBBPUFNWFUWIJX-RHSMWYFYSA-N 0 3 323.396 3.183 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)C(F)(F)F)c1 ZINC000860469431 621408467 /nfs/dbraw/zinc/40/84/67/621408467.db2.gz QSTYYAJJLFZEJZ-ZYHUDNBSSA-N 0 3 312.291 3.231 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H](C)c2ccco2)c1 ZINC000860691012 621432735 /nfs/dbraw/zinc/43/27/35/621432735.db2.gz IPXXEHUEGOIGQR-GOEBONIOSA-N 0 3 324.380 3.107 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000860779441 621442314 /nfs/dbraw/zinc/44/23/14/621442314.db2.gz BKFHFRSOIBPJGT-AAEUAGOBSA-N 0 3 314.307 3.482 20 30 DGEDHN C[C@@H]1CC(N=Nc2ccccc2Br)CN1C1CC1 ZINC000753955261 621474433 /nfs/dbraw/zinc/47/44/33/621474433.db2.gz LEFDPJWKNMHGEB-SNVBAGLBSA-N 0 3 308.223 3.474 20 30 DGEDHN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000755602186 621580063 /nfs/dbraw/zinc/58/00/63/621580063.db2.gz LNZDOCULDYNRTB-ZBFHGGJFSA-N 0 3 314.429 3.474 20 30 DGEDHN C#C[C@@H](NC1CCC(CC(=O)OC)CC1)c1ccc(F)cc1 ZINC000862375363 621581367 /nfs/dbraw/zinc/58/13/67/621581367.db2.gz NYNPHUYWHFGOCA-QWFMPGPPSA-N 0 3 303.377 3.212 20 30 DGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000755888284 621600180 /nfs/dbraw/zinc/60/01/80/621600180.db2.gz DXQOCBLGKQVEMQ-JTQLQIEISA-N 0 3 322.334 3.459 20 30 DGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863031917 621634230 /nfs/dbraw/zinc/63/42/30/621634230.db2.gz KJBFAOZFDZOEIL-DLBZAZTESA-N 0 3 323.481 3.091 20 30 DGEDHN C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756556395 621648685 /nfs/dbraw/zinc/64/86/85/621648685.db2.gz OKGXBKSSCASUPV-IUODEOHRSA-N 0 3 304.409 3.320 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000863373949 621668259 /nfs/dbraw/zinc/66/82/59/621668259.db2.gz HFZJPEMUXWXUNJ-UYAOXDASSA-N 0 3 324.468 3.144 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ccnn2C)c([O-])c1 ZINC000864348044 621759470 /nfs/dbraw/zinc/75/94/70/621759470.db2.gz DCKRQQJBBKRRIX-CYUIRQCWSA-N 0 3 300.406 3.152 20 30 DGEDHN CC(C)(C)[C@@H](NCn1cccc(C#N)c1=O)c1ccc(F)cc1 ZINC000758187725 621764390 /nfs/dbraw/zinc/76/43/90/621764390.db2.gz BPYQEHUDNNMSJE-INIZCTEOSA-N 0 3 313.376 3.194 20 30 DGEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)Cn1cccc(C#N)c1=O ZINC000758222934 621768157 /nfs/dbraw/zinc/76/81/57/621768157.db2.gz IYXKNIUKCDEALW-LJQANCHMSA-N 0 3 323.440 3.329 20 30 DGEDHN Cc1cccc(CC2CN(C[C@@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000759043940 621821016 /nfs/dbraw/zinc/82/10/16/621821016.db2.gz AAMMAPWSRXVYQI-HXUWFJFHSA-N 0 3 306.409 3.075 20 30 DGEDHN C#CCN(CC)Cc1cc(Br)cc2cccnc21 ZINC000759718181 621885415 /nfs/dbraw/zinc/88/54/15/621885415.db2.gz TWRRLLOXXSYOGV-UHFFFAOYSA-N 0 3 303.203 3.452 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCC(C)(O)CC1 ZINC000759751886 621887755 /nfs/dbraw/zinc/88/77/55/621887755.db2.gz MKGXEAGJMARANR-UHFFFAOYSA-N 0 3 317.458 3.119 20 30 DGEDHN C#CCNC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000760460837 621941942 /nfs/dbraw/zinc/94/19/42/621941942.db2.gz IIJKJLGIMWCTRL-GOSISDBHSA-N 0 3 318.848 3.300 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865522584 621942007 /nfs/dbraw/zinc/94/20/07/621942007.db2.gz SMGQGVGKAOUTDZ-UHFFFAOYSA-N 0 3 318.352 3.058 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cncc1Cl ZINC000865554573 621950737 /nfs/dbraw/zinc/95/07/37/621950737.db2.gz XMHCCUGUWQFVCU-QMTHXVAHSA-N 0 3 301.217 3.459 20 30 DGEDHN CC[C@](C)(CC(=O)OC)NCc1cc(Cl)ccc1OCC#N ZINC000760913682 621973330 /nfs/dbraw/zinc/97/33/30/621973330.db2.gz ZXGNEWAZORPCKZ-MRXNPFEDSA-N 0 3 324.808 3.064 20 30 DGEDHN COCC#CCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000762925435 622111247 /nfs/dbraw/zinc/11/12/47/622111247.db2.gz FZHHLHIFPQYNBN-JKSUJKDBSA-N 0 3 307.459 3.066 20 30 DGEDHN C=CCCCCC[C@@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000866439675 622118604 /nfs/dbraw/zinc/11/86/04/622118604.db2.gz IJFYEUALXKAXPW-CQSZACIVSA-N 0 3 306.454 3.313 20 30 DGEDHN CC[C@H](NC1CCN(c2ccccc2C#N)CC1)c1nccn1C ZINC000866449012 622120547 /nfs/dbraw/zinc/12/05/47/622120547.db2.gz PIWITJYUDHOVPI-KRWDZBQOSA-N 0 3 323.444 3.001 20 30 DGEDHN COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000866596344 622143918 /nfs/dbraw/zinc/14/39/18/622143918.db2.gz DTNSQVNCCYJQPM-UGFHNGPFSA-N 0 3 323.234 3.418 20 30 DGEDHN C#CCN(CCc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000763956174 622171095 /nfs/dbraw/zinc/17/10/95/622171095.db2.gz WXIFJFOZGMWJAP-UHFFFAOYSA-N 0 3 305.805 3.141 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C)cccc2C)CC1 ZINC000121875974 622187989 /nfs/dbraw/zinc/18/79/89/622187989.db2.gz BQKVGKGCPXDARK-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000868222098 622226782 /nfs/dbraw/zinc/22/67/82/622226782.db2.gz PNHMMIOOEIFYHK-JTDSTZFVSA-N 0 3 319.493 3.295 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(N2CCOCC2)c1 ZINC000765016761 622240263 /nfs/dbraw/zinc/24/02/63/622240263.db2.gz ZDZWAXAXKDMXAD-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN Clc1ccc(-c2noc(N=NC3CCN4CCC[C@H]34)n2)cc1 ZINC000765575702 622274340 /nfs/dbraw/zinc/27/43/40/622274340.db2.gz HSLVJVGRHHIUJQ-CYBMUJFWSA-N 0 3 317.780 3.026 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000765893759 622293231 /nfs/dbraw/zinc/29/32/31/622293231.db2.gz RERNYQZYLLBLHG-WMZOPIPTSA-N 0 3 315.461 3.113 20 30 DGEDHN Cc1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1Cl ZINC000766478691 622332765 /nfs/dbraw/zinc/33/27/65/622332765.db2.gz SPXMWZKIFHIBLW-UHFFFAOYSA-N 0 3 312.764 3.070 20 30 DGEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1sccc1CC#N ZINC000870044029 622428851 /nfs/dbraw/zinc/42/88/51/622428851.db2.gz NLCVCHKYIHPVRZ-CQSZACIVSA-N 0 3 306.431 3.234 20 30 DGEDHN CC(C)OC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000768992827 622490636 /nfs/dbraw/zinc/49/06/36/622490636.db2.gz PFCIAYMHRUEMPE-OAHLLOKOSA-N 0 3 302.418 3.367 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000769311989 622516751 /nfs/dbraw/zinc/51/67/51/622516751.db2.gz OHYKEJZWOVGVAI-WBVHZDCISA-N 0 3 310.401 3.011 20 30 DGEDHN CC1(C)OCc2cc(CNCc3ccc(C#N)cc3)ccc2O1 ZINC000769489592 622533618 /nfs/dbraw/zinc/53/36/18/622533618.db2.gz KSKGJZFWGYJTHV-UHFFFAOYSA-N 0 3 308.381 3.493 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3c(c2)COC3)cc1 ZINC000769928445 622577801 /nfs/dbraw/zinc/57/78/01/622577801.db2.gz PKXBWSVBUHPTIP-AWEZNQCLSA-N 0 3 308.381 3.297 20 30 DGEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000769960747 622582940 /nfs/dbraw/zinc/58/29/40/622582940.db2.gz HOJSZRWPCAJKSU-APWZRJJASA-N 0 3 309.409 3.047 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000770568822 622646526 /nfs/dbraw/zinc/64/65/26/622646526.db2.gz PEEGRIYNXGLSDB-LLVHFCNSSA-N 0 3 304.434 3.472 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068894 622787411 /nfs/dbraw/zinc/78/74/11/622787411.db2.gz KKPAUVIOMCRPRJ-OZVIIMIRSA-N 0 3 308.353 3.366 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872276639 622878517 /nfs/dbraw/zinc/87/85/17/622878517.db2.gz RVMYVGBEOZMKAL-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000772381262 622892115 /nfs/dbraw/zinc/89/21/15/622892115.db2.gz IXGKCETZVYQWID-CYBMUJFWSA-N 0 3 311.410 3.123 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645181 622922734 /nfs/dbraw/zinc/92/27/34/622922734.db2.gz WMJSHDSFMVFFDO-MASHWEEQSA-N 0 3 312.760 3.032 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCCOC[C@H]1C ZINC000772819887 622945945 /nfs/dbraw/zinc/94/59/45/622945945.db2.gz FLHMICULHUVUSF-CQSZACIVSA-N 0 3 317.458 3.383 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)c(F)c1 ZINC000772905281 622952336 /nfs/dbraw/zinc/95/23/36/622952336.db2.gz WOBCOAGFAXEZGQ-INIZCTEOSA-N 0 3 304.752 3.174 20 30 DGEDHN N#CCOc1ccc(CNCc2cncc3ccccc32)cc1 ZINC000772928139 622954532 /nfs/dbraw/zinc/95/45/32/622954532.db2.gz MCCPBNXABDTXGO-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@H]4CSC[C@H]4C3)n2)cc1 ZINC000872723071 622960706 /nfs/dbraw/zinc/96/07/06/622960706.db2.gz XOXAVFOTLRJHII-DLBZAZTESA-N 0 3 324.453 3.064 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCC[C@H]2C=CCC2)CC1 ZINC000872881648 622993228 /nfs/dbraw/zinc/99/32/28/622993228.db2.gz PMXJBOCRQIITDC-INIZCTEOSA-N 0 3 305.466 3.073 20 30 DGEDHN CCN1CCCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000773952608 623092348 /nfs/dbraw/zinc/09/23/48/623092348.db2.gz ARAGBVLNDIEUIL-GXTWGEPZSA-N 0 3 313.426 3.347 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)cc1 ZINC000773978760 623096159 /nfs/dbraw/zinc/09/61/59/623096159.db2.gz VMBXCDROMDVJGS-WFASDCNBSA-N 0 3 316.401 3.415 20 30 DGEDHN CCN1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000774270319 623126553 /nfs/dbraw/zinc/12/65/53/623126553.db2.gz DIVOYHCJWZBRFP-FUHWJXTLSA-N 0 3 312.461 3.323 20 30 DGEDHN CCC[C@@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000873523949 623166895 /nfs/dbraw/zinc/16/68/95/623166895.db2.gz XVGUPCFGEVAREN-HZPDHXFCSA-N 0 3 300.402 3.180 20 30 DGEDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1C#N ZINC000124958080 623260293 /nfs/dbraw/zinc/26/02/93/623260293.db2.gz WIMCVAFWOYYZKU-LBPRGKRZSA-N 0 3 310.353 3.146 20 30 DGEDHN CC(C)(C#N)CCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000776579884 623442915 /nfs/dbraw/zinc/44/29/15/623442915.db2.gz RJKYIEWOQMABDD-UHFFFAOYSA-N 0 3 322.456 3.292 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCOCC1CC1 ZINC000778151561 623616323 /nfs/dbraw/zinc/61/63/23/623616323.db2.gz LBGVTJLVEOMHKN-UHFFFAOYSA-N 0 3 307.821 3.258 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCC[C@H]1O ZINC000778246511 623632327 /nfs/dbraw/zinc/63/23/27/623632327.db2.gz QKQFRVMLLAFOOC-CZUORRHYSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000876560947 623644638 /nfs/dbraw/zinc/64/46/38/623644638.db2.gz IIICATROBZIFRW-SNVBAGLBSA-N 0 3 309.822 3.322 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1c(CC)oc2ccccc21 ZINC000876567855 623647104 /nfs/dbraw/zinc/64/71/04/623647104.db2.gz RZVZJYYRHBSEIK-CQSZACIVSA-N 0 3 320.820 3.424 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000876575260 623648766 /nfs/dbraw/zinc/64/87/66/623648766.db2.gz YTMNAADOXNLBQY-AWEZNQCLSA-N 0 3 323.824 3.080 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cnc2c(cnn2C)c1 ZINC000876581832 623650508 /nfs/dbraw/zinc/65/05/08/623650508.db2.gz DORAZUJFIAZPKE-UHFFFAOYSA-N 0 3 319.412 3.251 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000876586696 623652204 /nfs/dbraw/zinc/65/22/04/623652204.db2.gz KLSSYZZXHPGDCJ-OLZOCXBDSA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000876587479 623652427 /nfs/dbraw/zinc/65/24/27/623652427.db2.gz SGTITYOHDPILGQ-UYSNPLJNSA-N 0 3 306.837 3.299 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1cccc(Cl)c1 ZINC000876586698 623652662 /nfs/dbraw/zinc/65/26/62/623652662.db2.gz KLSSYZZXHPGDCJ-QWHCGFSZSA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1csc2ccccc12 ZINC000876605970 623657459 /nfs/dbraw/zinc/65/74/59/623657459.db2.gz ZFQCFZLAFMSCLA-ZDUSSCGKSA-N 0 3 308.834 3.030 20 30 DGEDHN CC(C)COC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876627136 623663771 /nfs/dbraw/zinc/66/37/71/623663771.db2.gz OSPCDZVNVVWOGC-UHFFFAOYSA-N 0 3 315.461 3.261 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000876627019 623664094 /nfs/dbraw/zinc/66/40/94/623664094.db2.gz BBSHRBGCLAUYQL-ZDUSSCGKSA-N 0 3 306.797 3.026 20 30 DGEDHN CC(C)OC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876630910 623664642 /nfs/dbraw/zinc/66/46/42/623664642.db2.gz NOQFHWSURRRFCV-UHFFFAOYSA-N 0 3 301.434 3.014 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000876638024 623666762 /nfs/dbraw/zinc/66/67/62/623666762.db2.gz ZXSHQHKDRRCINU-CVEARBPZSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000876656307 623672531 /nfs/dbraw/zinc/67/25/31/623672531.db2.gz KPTVETUSASBDSZ-MRXNPFEDSA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000876673534 623677847 /nfs/dbraw/zinc/67/78/47/623677847.db2.gz OAOPRBPBSLRMRT-STQMWFEESA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000876770944 623702848 /nfs/dbraw/zinc/70/28/48/623702848.db2.gz KWKLUCACQNWJKJ-MRXNPFEDSA-N 0 3 321.852 3.331 20 30 DGEDHN CCN1CCN(c2ccc(NC3CCC(C#N)CC3)cc2)CC1 ZINC000876820406 623716870 /nfs/dbraw/zinc/71/68/70/623716870.db2.gz MPHGTBBAHANSFS-UHFFFAOYSA-N 0 3 312.461 3.323 20 30 DGEDHN CCN1CCN(c2ccc(NC[C@@H](C)CCC#N)cc2)CC1 ZINC000876820902 623717633 /nfs/dbraw/zinc/71/76/33/623717633.db2.gz VLIPUILOUYFHIM-INIZCTEOSA-N 0 3 300.450 3.180 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccc(-n2ccnc2)nc1 ZINC000778995985 623718466 /nfs/dbraw/zinc/71/84/66/623718466.db2.gz HWJYYRUSUYXNFC-UHFFFAOYSA-N 0 3 308.385 3.091 20 30 DGEDHN CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2)c2ccccc2C1 ZINC000779021447 623721479 /nfs/dbraw/zinc/72/14/79/623721479.db2.gz XMGGQNQVACCPHV-FQEVSTJZSA-N 0 3 319.408 3.141 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000876890000 623737048 /nfs/dbraw/zinc/73/70/48/623737048.db2.gz UGYRYIDNSPDFBM-SNVBAGLBSA-N 0 3 301.843 3.140 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000779160991 623737753 /nfs/dbraw/zinc/73/77/53/623737753.db2.gz FBVRTBLGAUDDBF-CABCVRRESA-N 0 3 319.832 3.210 20 30 DGEDHN CN(CCCNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876891087 623737881 /nfs/dbraw/zinc/73/78/81/623737881.db2.gz PPQBYFJUIXCCEL-UHFFFAOYSA-N 0 3 314.820 3.223 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000876904260 623740959 /nfs/dbraw/zinc/74/09/59/623740959.db2.gz XEESXHFTVQJKMB-PGUXBMHVSA-N 0 3 310.800 3.130 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000876909010 623741957 /nfs/dbraw/zinc/74/19/57/623741957.db2.gz VPTDRCRSTGOAPY-ZBFHGGJFSA-N 0 3 306.837 3.089 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000876952469 623753260 /nfs/dbraw/zinc/75/32/60/623753260.db2.gz QCNCLTSLWMRHGK-LLVKDONJSA-N 0 3 319.207 3.300 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000876969824 623757602 /nfs/dbraw/zinc/75/76/02/623757602.db2.gz BDYZQWTZPNGWEB-OAHLLOKOSA-N 0 3 310.800 3.034 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2ccccc2n1C(C)C ZINC000876969834 623757630 /nfs/dbraw/zinc/75/76/30/623757630.db2.gz BLAVNQBNNXXMOE-LLVKDONJSA-N 0 3 306.797 3.026 20 30 DGEDHN CC[C@H](CC#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805928434 625673798 /nfs/dbraw/zinc/67/37/98/625673798.db2.gz MOMXSMGIJFINQV-QGZVFWFLSA-N 0 3 300.402 3.134 20 30 DGEDHN C=CCCCCCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000779436657 623770336 /nfs/dbraw/zinc/77/03/36/623770336.db2.gz LJXFLWPSPFWAAD-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000877065790 623781981 /nfs/dbraw/zinc/78/19/81/623781981.db2.gz WILYMRGDEDVILS-HOTGVXAUSA-N 0 3 313.445 3.259 20 30 DGEDHN CC(C)[C@H]1OCCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877074137 623784364 /nfs/dbraw/zinc/78/43/64/623784364.db2.gz ZWYTZAFZYHWBRU-DZGCQCFKSA-N 0 3 307.825 3.147 20 30 DGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)[C@H]1CCCCO1 ZINC000877088003 623788102 /nfs/dbraw/zinc/78/81/02/623788102.db2.gz ZGICDVNLIANIGP-CQSZACIVSA-N 0 3 307.825 3.292 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@H](CCO)C2CCCCC2)c1 ZINC000877128851 623798812 /nfs/dbraw/zinc/79/88/12/623798812.db2.gz WZIBDTCJOPIKSQ-OAHLLOKOSA-N 0 3 307.825 3.028 20 30 DGEDHN CC(C)(C)OC(=O)CCCCNCc1cc(C#N)cnc1Cl ZINC000877134080 623800482 /nfs/dbraw/zinc/80/04/82/623800482.db2.gz MGWAWASCLXVMQZ-UHFFFAOYSA-N 0 3 323.824 3.208 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@]1(C)Cc1ccc(C)cc1 ZINC000877203435 623826568 /nfs/dbraw/zinc/82/65/68/623826568.db2.gz CLXXASKUHLDHRO-WMZOPIPTSA-N 0 3 320.864 3.389 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877321094 623851019 /nfs/dbraw/zinc/85/10/19/623851019.db2.gz DOCIXSPLJVPGME-FPCVCCKLSA-N 0 3 321.465 3.304 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877321097 623851524 /nfs/dbraw/zinc/85/15/24/623851524.db2.gz DOCIXSPLJVPGME-QXSJWSMHSA-N 0 3 321.465 3.304 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877341317 623855857 /nfs/dbraw/zinc/85/58/57/623855857.db2.gz SYEWIIURSIITGE-OXQOHEQNSA-N 0 3 320.436 3.177 20 30 DGEDHN COC1(CNCc2cc(C#N)cnc2Cl)CCC(C)CC1 ZINC000877491970 623910129 /nfs/dbraw/zinc/91/01/29/623910129.db2.gz ZDGISXJAKYYSOL-UHFFFAOYSA-N 0 3 307.825 3.292 20 30 DGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000780384330 623919544 /nfs/dbraw/zinc/91/95/44/623919544.db2.gz HBFFNVJSHVWBIE-UGFHNGPFSA-N 0 3 312.335 3.254 20 30 DGEDHN CC(C)[C@@H](NCc1cc(C#N)cnc1Cl)C1(CO)CCCC1 ZINC000877578110 623950199 /nfs/dbraw/zinc/95/01/99/623950199.db2.gz VBMIMXVGQDOKHF-OAHLLOKOSA-N 0 3 321.852 3.274 20 30 DGEDHN C#C[C@@H](NCc1ccc2ccc(F)c(F)c2n1)C1CCOCC1 ZINC000877638187 623973417 /nfs/dbraw/zinc/97/34/17/623973417.db2.gz UKEXPEUTVALKJB-MRXNPFEDSA-N 0 3 316.351 3.031 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CC2(Cl)Cl)c1 ZINC000877646315 623976768 /nfs/dbraw/zinc/97/67/68/623976768.db2.gz GKRYPJYIKFRQDG-SNVBAGLBSA-N 0 3 304.608 3.280 20 30 DGEDHN Cc1ccc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000877682081 623990384 /nfs/dbraw/zinc/99/03/84/623990384.db2.gz LNIZXLYBBZNAIF-UHFFFAOYSA-N 0 3 321.424 3.331 20 30 DGEDHN COC(=O)c1ccccc1CN(C)CCc1cccc(C#N)c1 ZINC000877704909 624000011 /nfs/dbraw/zinc/00/00/11/624000011.db2.gz XFAPJNQOQGVXNN-UHFFFAOYSA-N 0 3 308.381 3.019 20 30 DGEDHN C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000781422408 624068836 /nfs/dbraw/zinc/06/88/36/624068836.db2.gz OUBBDQCZSDTMJH-HIFRSBDPSA-N 0 3 318.392 3.424 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCCOC1 ZINC000781448755 624072115 /nfs/dbraw/zinc/07/21/15/624072115.db2.gz FYVXFANERLZXNZ-MEDUHNTESA-N 0 3 300.383 3.289 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000878035804 624144150 /nfs/dbraw/zinc/14/41/50/624144150.db2.gz DVVDHAZKDZPLPI-LSDHHAIUSA-N 0 3 321.465 3.448 20 30 DGEDHN CN(CC1CCN(CC2(CC#N)CC2)CC1)C(=O)OC(C)(C)C ZINC000878053690 624150715 /nfs/dbraw/zinc/15/07/15/624150715.db2.gz LLDCWTIKZAIXQO-UHFFFAOYSA-N 0 3 321.465 3.259 20 30 DGEDHN C[C@H]1CCCN(CC2(CC#N)CC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000878163068 624195197 /nfs/dbraw/zinc/19/51/97/624195197.db2.gz TZZNSUXVGGOJJQ-GJZGRUSLSA-N 0 3 321.465 3.305 20 30 DGEDHN N#CCC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000782089734 624202257 /nfs/dbraw/zinc/20/22/57/624202257.db2.gz VXBKXHHAKLOBQX-UHFFFAOYSA-N 0 3 322.408 3.407 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](N(CC2(CC#N)CC2)C2CC2)C1 ZINC000878286590 624236158 /nfs/dbraw/zinc/23/61/58/624236158.db2.gz JTPVOVGEOOBYOM-OAHLLOKOSA-N 0 3 319.449 3.154 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H](O)c2ccccc2)c(F)c1 ZINC000879240246 624457377 /nfs/dbraw/zinc/45/73/77/624457377.db2.gz LFARHZIWKZWLQQ-RBUKOAKNSA-N 0 3 310.372 3.395 20 30 DGEDHN CC(C)Oc1ccnc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000879432423 624546501 /nfs/dbraw/zinc/54/65/01/624546501.db2.gz KDHFUIGAKZBTTP-UHFFFAOYSA-N 0 3 309.413 3.415 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)CCc1cccc(C#N)c1 ZINC000879433104 624546683 /nfs/dbraw/zinc/54/66/83/624546683.db2.gz PGKDHQPGKDCDOB-UHFFFAOYSA-N 0 3 305.381 3.113 20 30 DGEDHN Cn1cc(C(C)(C)C(=O)C(C#N)c2nc3ccccc3s2)cn1 ZINC000784821070 624583221 /nfs/dbraw/zinc/58/32/21/624583221.db2.gz KTIKLPXPJLWKPM-LBPRGKRZSA-N 0 3 324.409 3.184 20 30 DGEDHN C=C(CC)COC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785710116 624716088 /nfs/dbraw/zinc/71/60/88/624716088.db2.gz CNIBHTFTRNBMFB-UHFFFAOYSA-N 0 3 317.429 3.014 20 30 DGEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530817 624911598 /nfs/dbraw/zinc/91/15/98/624911598.db2.gz KFSWRSLISKZPMY-BXUZGUMPSA-N 0 3 306.793 3.101 20 30 DGEDHN CC(C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533184 624913188 /nfs/dbraw/zinc/91/31/88/624913188.db2.gz DWIGHCRQRACMOA-CQSZACIVSA-N 0 3 306.793 3.101 20 30 DGEDHN C=CCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000786579154 624925478 /nfs/dbraw/zinc/92/54/78/624925478.db2.gz OGAVMLYGLCTASE-UHFFFAOYSA-N 0 3 300.196 3.171 20 30 DGEDHN C=CCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000786579154 624925476 /nfs/dbraw/zinc/92/54/76/624925476.db2.gz OGAVMLYGLCTASE-UHFFFAOYSA-N 0 3 300.196 3.171 20 30 DGEDHN COC(=O)c1ccc2c(c1)CCN(CCCC(C)(C)C#N)C2 ZINC000880350506 624926278 /nfs/dbraw/zinc/92/62/78/624926278.db2.gz YOVLKFSQCXLGPI-UHFFFAOYSA-N 0 3 300.402 3.161 20 30 DGEDHN C=CCCC[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1 ZINC000880388168 624947448 /nfs/dbraw/zinc/94/74/48/624947448.db2.gz IZNGINXRGPOMJZ-KRWDZBQOSA-N 0 3 322.412 3.210 20 30 DGEDHN Cc1csc(C(C#N)C(=O)CSc2cc(C)cc(C)n2)n1 ZINC000786741487 624949666 /nfs/dbraw/zinc/94/96/66/624949666.db2.gz NSPCZZGCYWZIGN-LBPRGKRZSA-N 0 3 317.439 3.432 20 30 DGEDHN Cc1csc(C(C#N)C(=O)CSc2cc(C)cc(C)n2)n1 ZINC000786741485 624949736 /nfs/dbraw/zinc/94/97/36/624949736.db2.gz NSPCZZGCYWZIGN-GFCCVEGCSA-N 0 3 317.439 3.432 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000128422501 624956054 /nfs/dbraw/zinc/95/60/54/624956054.db2.gz UJWULMVRBQFXIT-INIZCTEOSA-N 0 3 301.386 3.315 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000880482309 624965164 /nfs/dbraw/zinc/96/51/64/624965164.db2.gz FBBISCUNWXDKBS-UHFFFAOYSA-N 0 3 314.816 3.238 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787072531 624975614 /nfs/dbraw/zinc/97/56/14/624975614.db2.gz QLMNCOZXKNMVPH-IRXDYDNUSA-N 0 3 314.429 3.426 20 30 DGEDHN CCC(C)(C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073943 624976373 /nfs/dbraw/zinc/97/63/73/624976373.db2.gz RRPWSJORBDFAQB-OAHLLOKOSA-N 0 3 300.402 3.180 20 30 DGEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788794820 625268268 /nfs/dbraw/zinc/26/82/68/625268268.db2.gz JFINZXMHPUJNAK-PIGZYNQJSA-N 0 3 322.368 3.387 20 30 DGEDHN N#CC(C(=O)CCOCC(F)F)c1ccc2ccccc2n1 ZINC000791765324 625854670 /nfs/dbraw/zinc/85/46/70/625854670.db2.gz MNDYYQCMFDDTSC-GFCCVEGCSA-N 0 3 304.296 3.083 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2c1CCOC2 ZINC000883106165 625928723 /nfs/dbraw/zinc/92/87/23/625928723.db2.gz JYCMFQDFENIQLE-FQEVSTJZSA-N 0 3 304.393 3.408 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2c1CCOC2 ZINC000883106166 625929039 /nfs/dbraw/zinc/92/90/39/625929039.db2.gz JYCMFQDFENIQLE-HXUWFJFHSA-N 0 3 304.393 3.408 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000792277074 625933297 /nfs/dbraw/zinc/93/32/97/625933297.db2.gz PEMMACLNVUJZSB-LBPRGKRZSA-N 0 3 323.371 3.067 20 30 DGEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000796630979 626067728 /nfs/dbraw/zinc/06/77/28/626067728.db2.gz QYLYIIZOWYLDQH-MRVPVSSYSA-N 0 3 318.682 3.172 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000796633772 626068484 /nfs/dbraw/zinc/06/84/84/626068484.db2.gz OYEIMSMYUTWULY-AAEUAGOBSA-N 0 3 306.312 3.078 20 30 DGEDHN C#CCN(CCC(=O)N1CCc2ccccc21)Cc1ccccc1 ZINC000796640304 626068967 /nfs/dbraw/zinc/06/89/67/626068967.db2.gz WPFALSMMUVVDAJ-UHFFFAOYSA-N 0 3 318.420 3.101 20 30 DGEDHN C#CCN(CCC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000796640143 626069232 /nfs/dbraw/zinc/06/92/32/626069232.db2.gz GNGHDXCTRQHWCJ-UHFFFAOYSA-N 0 3 306.409 3.175 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOC(C)(C)C ZINC000796737376 626078060 /nfs/dbraw/zinc/07/80/60/626078060.db2.gz AEFXSMBJCKPBMR-CYBMUJFWSA-N 0 3 313.401 3.345 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000796815629 626086148 /nfs/dbraw/zinc/08/61/48/626086148.db2.gz FNZMYXAPVRIHMZ-YOEHRIQHSA-N 0 3 310.401 3.258 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCC(F)F)c1ccccc1 ZINC000796891237 626093627 /nfs/dbraw/zinc/09/36/27/626093627.db2.gz DSQORANRYVFUPM-OLZOCXBDSA-N 0 3 308.328 3.008 20 30 DGEDHN C[C@@]1(COC(=O)c2ccc(C#N)o2)CCCN1Cc1ccccc1 ZINC000796942131 626097813 /nfs/dbraw/zinc/09/78/13/626097813.db2.gz ICTNVSGIUFRUKW-IBGZPJMESA-N 0 3 324.380 3.363 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000797548150 626151956 /nfs/dbraw/zinc/15/19/56/626151956.db2.gz AHNIVFCNBBWHDN-PQEBFOHHSA-N 0 3 312.413 3.051 20 30 DGEDHN C#CCCN1CCN(c2ccnc3c(OCCC)cccc23)CC1 ZINC000798391506 626214616 /nfs/dbraw/zinc/21/46/16/626214616.db2.gz GHELYXRTGYHCEM-UHFFFAOYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=CCCCCC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799172842 626277176 /nfs/dbraw/zinc/27/71/76/626277176.db2.gz DAAVZUDEOHYINE-UHFFFAOYSA-N 0 3 306.372 3.123 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C#N ZINC000799601236 626312121 /nfs/dbraw/zinc/31/21/21/626312121.db2.gz WPBMEDKXGPLQOG-CQSZACIVSA-N 0 3 300.321 3.233 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000800408820 626357145 /nfs/dbraw/zinc/35/71/45/626357145.db2.gz FLWJXORPSIVUAN-YPMHNXCESA-N 0 3 322.355 3.116 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCOC(F)F ZINC000800895547 626383313 /nfs/dbraw/zinc/38/33/13/626383313.db2.gz HPAKWZNBGHUTQE-UHFFFAOYSA-N 0 3 303.736 3.071 20 30 DGEDHN C[C@H](C#N)OCCN(Cc1cccc(Br)c1)C1CC1 ZINC000801911058 626425040 /nfs/dbraw/zinc/42/50/40/626425040.db2.gz SWOLRHXCEWHILI-GFCCVEGCSA-N 0 3 323.234 3.342 20 30 DGEDHN C[C@H](C#N)OCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000801936273 626426548 /nfs/dbraw/zinc/42/65/48/626426548.db2.gz MEXFZFHRXXYEAZ-CYBMUJFWSA-N 0 3 308.809 3.112 20 30 DGEDHN COc1ccc2oc([C@@H](C)NCCO[C@@H](C)C#N)c(C)c2c1 ZINC000801940833 626427218 /nfs/dbraw/zinc/42/72/18/626427218.db2.gz FWHNEEPNBZJSHM-WCQYABFASA-N 0 3 302.374 3.329 20 30 DGEDHN Cc1nc(Cl)ccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000802032236 626429387 /nfs/dbraw/zinc/42/93/87/626429387.db2.gz CXEFRIKSORMMCA-NSHDSACASA-N 0 3 310.744 3.410 20 30 DGEDHN C=CCC[C@H](NCc1nc2cc(F)ccc2n1C)[C@H]1CCCO1 ZINC000883204409 626607396 /nfs/dbraw/zinc/60/73/96/626607396.db2.gz ZUALGZHPUFLLHG-WMLDXEAASA-N 0 3 317.408 3.316 20 30 DGEDHN C=CCC[C@H](COc1ccccc1)NCc1snnc1C ZINC000883224795 626614667 /nfs/dbraw/zinc/61/46/67/626614667.db2.gz TYFLNQYGDMOODD-CQSZACIVSA-N 0 3 303.431 3.350 20 30 DGEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000883340239 626653504 /nfs/dbraw/zinc/65/35/04/626653504.db2.gz MKYCLQRWWFLGEG-IBGZPJMESA-N 0 3 310.372 3.275 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000883389857 626670953 /nfs/dbraw/zinc/67/09/53/626670953.db2.gz ABJUTJQWWIVXAD-DGCLKSJQSA-N 0 3 307.825 3.204 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(Br)c(F)c1F ZINC000883399066 626673033 /nfs/dbraw/zinc/67/30/33/626673033.db2.gz CKDFHZUEVZFKAS-JTQLQIEISA-N 0 3 320.177 3.144 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000883399072 626673155 /nfs/dbraw/zinc/67/31/55/626673155.db2.gz CQPWPMXZFCSBPG-LBPRGKRZSA-N 0 3 311.447 3.120 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000804452517 626681194 /nfs/dbraw/zinc/68/11/94/626681194.db2.gz HMTJOJAJUPYEGE-HKUYNNGSSA-N 0 3 312.457 3.002 20 30 DGEDHN C=CCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000807401742 626755627 /nfs/dbraw/zinc/75/56/27/626755627.db2.gz UWLOMOCPPVGMPI-RDJZCZTQSA-N 0 3 303.450 3.284 20 30 DGEDHN C[C@@H]1CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)c2ccccc21 ZINC000884316050 626863734 /nfs/dbraw/zinc/86/37/34/626863734.db2.gz ILUOANPCMHLVMT-OXJONJSCSA-N 0 3 323.440 3.056 20 30 DGEDHN C#CCN(CCCc1cc(CC)no1)Cc1ccc(F)cc1 ZINC000809573814 626921893 /nfs/dbraw/zinc/92/18/93/626921893.db2.gz YYAAVOHYMWPOOV-UHFFFAOYSA-N 0 3 300.377 3.444 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000809602142 626924533 /nfs/dbraw/zinc/92/45/33/626924533.db2.gz JWTIZSYBJFSIHG-UHFFFAOYSA-N 0 3 318.420 3.194 20 30 DGEDHN C=CC[C@@H](NCc1cc(OC)c(O)c(OC)c1)c1ccncc1 ZINC000809620613 626927125 /nfs/dbraw/zinc/92/71/25/626927125.db2.gz LLSURBYHWRABIG-OAHLLOKOSA-N 0 3 314.385 3.211 20 30 DGEDHN C#Cc1ccc(CN[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000809653852 626933230 /nfs/dbraw/zinc/93/32/30/626933230.db2.gz IOQDFRNKGIHOHC-LJQANCHMSA-N 0 3 317.392 3.433 20 30 DGEDHN C[C@H](C#N)OCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000810047251 626972743 /nfs/dbraw/zinc/97/27/43/626972743.db2.gz QHHCOGQKQSGGAC-GFCCVEGCSA-N 0 3 317.364 3.075 20 30 DGEDHN COc1cccc(C[C@H](NCc2nc(C#N)cs2)C2CC2)c1 ZINC000810150357 626981827 /nfs/dbraw/zinc/98/18/27/626981827.db2.gz BWSKYIWHFHOXNJ-INIZCTEOSA-N 0 3 313.426 3.134 20 30 DGEDHN COc1cccnc1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000810522055 627011300 /nfs/dbraw/zinc/01/13/00/627011300.db2.gz WKOVNBFIVYSHJI-NSHDSACASA-N 0 3 323.377 3.119 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)C1(CCF)CC1)c1ccccc1 ZINC000810709809 627039624 /nfs/dbraw/zinc/03/96/24/627039624.db2.gz KHXRCXXDQRSZRJ-CABCVRRESA-N 0 3 316.376 3.103 20 30 DGEDHN CCCN(Cc1ccccc1F)C[C@H](O)CC1(C#N)CCC1 ZINC000885969152 627072793 /nfs/dbraw/zinc/07/27/93/627072793.db2.gz LMLVIWJJHCJTDF-MRXNPFEDSA-N 0 3 304.409 3.483 20 30 DGEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886112420 627107393 /nfs/dbraw/zinc/10/73/93/627107393.db2.gz XTCGZYVKIXLDMW-BBRMVZONSA-N 0 3 308.372 3.450 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCC(CC(F)(F)F)CC2)CCC1 ZINC000886194744 627120128 /nfs/dbraw/zinc/12/01/28/627120128.db2.gz YGLIWDDVAMOMRW-ZDUSSCGKSA-N 0 3 304.356 3.096 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886333876 627139241 /nfs/dbraw/zinc/13/92/41/627139241.db2.gz OBFBQNXZPXGQRE-IEZWGBDMSA-N 0 3 317.429 3.068 20 30 DGEDHN C#CCN(C(=O)c1cccc(C(C)(C)C)c1)C1CCN(C)CC1 ZINC000886573240 627165943 /nfs/dbraw/zinc/16/59/43/627165943.db2.gz BGWQILWYWDHUIY-UHFFFAOYSA-N 0 3 312.457 3.154 20 30 DGEDHN C#CCN(C(=O)c1ccc(CC(C)C)s1)C1CCN(C)CC1 ZINC000886570948 627166146 /nfs/dbraw/zinc/16/61/46/627166146.db2.gz DCSHCORFVRKVCW-UHFFFAOYSA-N 0 3 318.486 3.116 20 30 DGEDHN C#CCN(C(=O)c1ccc(F)c2ccccc12)C1CCN(C)CC1 ZINC000886577642 627166627 /nfs/dbraw/zinc/16/66/27/627166627.db2.gz QZYQBAPOTBEDOA-UHFFFAOYSA-N 0 3 324.399 3.149 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000811523203 627287761 /nfs/dbraw/zinc/28/77/61/627287761.db2.gz BNWGCVVYIRNPFC-CRAIPNDOSA-N 0 3 324.424 3.049 20 30 DGEDHN C#C[C@H](N[C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812795251 627421316 /nfs/dbraw/zinc/42/13/16/627421316.db2.gz PCOFULCZZBWDMY-NBMRYCAZSA-N 0 3 317.404 3.458 20 30 DGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000812827662 627426266 /nfs/dbraw/zinc/42/62/66/627426266.db2.gz HQDATTVBVLSQEX-INIZCTEOSA-N 0 3 323.799 3.363 20 30 DGEDHN N#CCCCC(=O)OC[C@H]1CCCCN1Cc1ccccc1 ZINC000813096290 627448795 /nfs/dbraw/zinc/44/87/95/627448795.db2.gz HXQVRCFXDKNWEX-QGZVFWFLSA-N 0 3 300.402 3.278 20 30 DGEDHN C[C@@H]1C[C@H](C)[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813215304 627468327 /nfs/dbraw/zinc/46/83/27/627468327.db2.gz WMXODYFYDYQACM-AUDJIGTPSA-N 0 3 312.291 3.090 20 30 DGEDHN C[C@H](CCC#N)CN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000813337164 627480061 /nfs/dbraw/zinc/48/00/61/627480061.db2.gz MBAFYHMMXRKDOI-KFWWJZLASA-N 0 3 309.454 3.256 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000815020216 627616786 /nfs/dbraw/zinc/61/67/86/627616786.db2.gz UMTXJJZRMJMEFO-QFBILLFUSA-N 0 3 320.440 3.045 20 30 DGEDHN C=CCN(C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815094644 627624715 /nfs/dbraw/zinc/62/47/15/627624715.db2.gz FMAVKTZLEMIFPV-CYBMUJFWSA-N 0 3 318.642 3.428 20 30 DGEDHN C=CCN(C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815094646 627624990 /nfs/dbraw/zinc/62/49/90/627624990.db2.gz FMAVKTZLEMIFPV-ZDUSSCGKSA-N 0 3 318.642 3.428 20 30 DGEDHN C#CCNC(=O)CCNC(c1ccccc1C)c1ccccc1C ZINC000815092374 627625247 /nfs/dbraw/zinc/62/52/47/627625247.db2.gz FJLBREYAVLDFIP-UHFFFAOYSA-N 0 3 320.436 3.122 20 30 DGEDHN C[C@H]1[C@H](OC(=O)CC2(C#N)CC2)CCCN1Cc1ccccc1 ZINC000816468995 627793381 /nfs/dbraw/zinc/79/33/81/627793381.db2.gz QJVXQXGBBVCHSJ-DOTOQJQBSA-N 0 3 312.413 3.277 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cnccc2N)c1 ZINC000817917945 627961305 /nfs/dbraw/zinc/96/13/05/627961305.db2.gz JKRRTZBRIXXYRN-ZFWWWQNUSA-N 0 3 310.401 3.026 20 30 DGEDHN C#CCN1CCC[C@@H](N[C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926863607 627965658 /nfs/dbraw/zinc/96/56/58/627965658.db2.gz AJAZESLPHCEHGY-TZIWHRDSSA-N 0 3 319.452 3.167 20 30 DGEDHN C=C1CCC(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000926926300 627982921 /nfs/dbraw/zinc/98/29/21/627982921.db2.gz WDRUKODSKRHRHN-MRXNPFEDSA-N 0 3 323.433 3.380 20 30 DGEDHN CC[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccc(C)cc1[O-] ZINC000927166159 628030412 /nfs/dbraw/zinc/03/04/12/628030412.db2.gz WGTIPVUGUGYIRO-MRXNPFEDSA-N 0 3 310.401 3.120 20 30 DGEDHN Cc1cc(Br)cnc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000819827949 628193732 /nfs/dbraw/zinc/19/37/32/628193732.db2.gz QDKJIZFMINEEJP-JTQLQIEISA-N 0 3 323.238 3.177 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929165447 628218442 /nfs/dbraw/zinc/21/84/42/628218442.db2.gz WOEBLNNEAYBFLU-GJZGRUSLSA-N 0 3 312.335 3.490 20 30 DGEDHN C[C@H](C#N)OCCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000823468231 628565816 /nfs/dbraw/zinc/56/58/16/628565816.db2.gz CWUVDKXRXZFPIM-CYBMUJFWSA-N 0 3 319.474 3.130 20 30 DGEDHN C#CCCCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000823897318 628608406 /nfs/dbraw/zinc/60/84/06/628608406.db2.gz FUGYKSPUINTEKO-GOSISDBHSA-N 0 3 312.457 3.480 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733262 628688427 /nfs/dbraw/zinc/68/84/27/628688427.db2.gz NDRLUYKZGMTCHP-UHFFFAOYSA-N 0 3 315.417 3.046 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1ncccc1C ZINC000824795058 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C#C[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000827570326 628971893 /nfs/dbraw/zinc/97/18/93/628971893.db2.gz LUMFCCIVQOTUAR-QGZVFWFLSA-N 0 3 316.401 3.236 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000827822867 628994394 /nfs/dbraw/zinc/99/43/94/628994394.db2.gz GONNXOSHQPHVFA-UHFFFAOYSA-N 0 3 317.763 3.413 20 30 DGEDHN COC(=O)C1(C#N)CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000828969270 629115381 /nfs/dbraw/zinc/11/53/81/629115381.db2.gz GBWSWNHKUHAKTM-UHFFFAOYSA-N 0 3 323.396 3.135 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000829769204 629190062 /nfs/dbraw/zinc/19/00/62/629190062.db2.gz QEUVNUUADYQCCB-LSDHHAIUSA-N 0 3 318.848 3.253 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccccc2Cl)C1 ZINC000829769402 629190111 /nfs/dbraw/zinc/19/01/11/629190111.db2.gz UVCSLBITPIVZRJ-LSDHHAIUSA-N 0 3 318.848 3.253 20 30 DGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000829773473 629190269 /nfs/dbraw/zinc/19/02/69/629190269.db2.gz FHRNHAIHVPAGBM-CABCVRRESA-N 0 3 318.848 3.080 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000829774971 629190755 /nfs/dbraw/zinc/19/07/55/629190755.db2.gz WPRADYFUJKFKHE-ARFHVFGLSA-N 0 3 316.420 3.127 20 30 DGEDHN C[C@H](C#N)OCCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000830327638 629253089 /nfs/dbraw/zinc/25/30/89/629253089.db2.gz WDQLBAYHZQYIQP-LLVKDONJSA-N 0 3 314.307 3.093 20 30 DGEDHN C#CC1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000830329898 629253840 /nfs/dbraw/zinc/25/38/40/629253840.db2.gz LJVPKBODRIABCD-UHFFFAOYSA-N 0 3 302.443 3.306 20 30 DGEDHN CO[C@H]1C[C@H](NCc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000831332019 629363406 /nfs/dbraw/zinc/36/34/06/629363406.db2.gz DARSCVCXYHUXPG-GJZGRUSLSA-N 0 3 308.809 3.145 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000101583319 629742922 /nfs/dbraw/zinc/74/29/22/629742922.db2.gz KVCQQUNEMHIJCB-HZPDHXFCSA-N 0 3 322.408 3.267 20 30 DGEDHN C#CCSCCNCc1sc(C)cc1Br ZINC000835039322 629831566 /nfs/dbraw/zinc/83/15/66/629831566.db2.gz DCORJFWMOYSTDE-UHFFFAOYSA-N 0 3 304.278 3.275 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000836487334 630121364 /nfs/dbraw/zinc/12/13/64/630121364.db2.gz DIUAPQXMXCHJOG-OAHLLOKOSA-N 0 3 321.490 3.090 20 30 DGEDHN C#CCCOc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000840956686 630384924 /nfs/dbraw/zinc/38/49/24/630384924.db2.gz BWPNFVGZVYNKPO-FPOVZHCZSA-N 0 3 321.420 3.397 20 30 DGEDHN CC(C)OCCNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841634128 630450015 /nfs/dbraw/zinc/45/00/15/630450015.db2.gz OEKNPFVYHJVPQM-IBGZPJMESA-N 0 3 315.461 3.357 20 30 DGEDHN CCOCCON=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841632654 630450091 /nfs/dbraw/zinc/45/00/91/630450091.db2.gz FBZRGHXZTXTCQM-SFHVURJKSA-N 0 3 302.418 3.395 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(CCC)Cc1ccccc1O ZINC000104682358 630507662 /nfs/dbraw/zinc/50/76/62/630507662.db2.gz UENXPNJUOQXNNG-UHFFFAOYSA-N 0 3 304.434 3.029 20 30 DGEDHN C#CC[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000843677633 630686333 /nfs/dbraw/zinc/68/63/33/630686333.db2.gz HGUSOJFALSBCCK-HNNXBMFYSA-N 0 3 324.424 3.370 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845437444 631174884 /nfs/dbraw/zinc/17/48/84/631174884.db2.gz WRKMBLDEGZZGLB-BARDWOONSA-N 0 3 305.381 3.352 20 30 DGEDHN CC(C)(C)OC(=O)NCCC1CC(NCC2(C#N)CCCC2)C1 ZINC000846011028 631205696 /nfs/dbraw/zinc/20/56/96/631205696.db2.gz QQMDFLYPARMZJQ-UHFFFAOYSA-N 0 3 321.465 3.353 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@](C)(CNCC2(C#N)CCCC2)C1 ZINC000846011006 631205762 /nfs/dbraw/zinc/20/57/62/631205762.db2.gz QFBMMVYAXOFQLI-QGZVFWFLSA-N 0 3 321.465 3.307 20 30 DGEDHN N#CCCCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000847668392 631510298 /nfs/dbraw/zinc/51/02/98/631510298.db2.gz VWJKMQPUUKLNJK-UHFFFAOYSA-N 0 3 304.390 3.119 20 30 DGEDHN CC([C@H](OC(=O)CCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000847737959 631529383 /nfs/dbraw/zinc/52/93/83/631529383.db2.gz YPXQFDMVDBGZSK-NHYWBVRUSA-N 0 3 308.309 3.159 20 30 DGEDHN N#CC1(COC(=O)C=C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000847749478 631531414 /nfs/dbraw/zinc/53/14/14/631531414.db2.gz RCFGSFPMSDBDDB-UHFFFAOYSA-N 0 3 324.424 3.446 20 30 DGEDHN CCCC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847746080 631532079 /nfs/dbraw/zinc/53/20/79/631532079.db2.gz YADSPQNPOZGRJX-UHFFFAOYSA-N 0 3 300.402 3.136 20 30 DGEDHN N#CC1(COC(=O)/C=C/C2CC2)CCN(Cc2ccccc2)CC1 ZINC000847748558 631532095 /nfs/dbraw/zinc/53/20/95/631532095.db2.gz DAWVMKTVFUHBTH-CMDGGOBGSA-N 0 3 324.424 3.302 20 30 DGEDHN Brc1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848405198 631654888 /nfs/dbraw/zinc/65/48/88/631654888.db2.gz CJBRHMUBRFABIL-CYBMUJFWSA-N 0 3 323.238 3.260 20 30 DGEDHN O=[N+]([O-])c1c(F)cccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848411222 631656944 /nfs/dbraw/zinc/65/69/44/631656944.db2.gz VESKRCISTRXLQG-AWEZNQCLSA-N 0 3 306.341 3.150 20 30 DGEDHN C=C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848532960 631680712 /nfs/dbraw/zinc/68/07/12/631680712.db2.gz NJXNDPYLWYQEBE-DTWKUNHWSA-N 0 3 300.196 3.388 20 30 DGEDHN C#C[C@H]1CCCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000848923104 631788984 /nfs/dbraw/zinc/78/89/84/631788984.db2.gz GFGWIUKXVAIAHZ-INIZCTEOSA-N 0 3 311.404 3.473 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCO[C@@H]2CC2(F)F)c([O-])c1 ZINC000849169535 631851606 /nfs/dbraw/zinc/85/16/06/631851606.db2.gz DQNBZTNHYMCEAK-SKCQWOFPSA-N 0 3 312.360 3.082 20 30 DGEDHN COCc1csc(CNCc2ccc(OCC#N)cc2)c1 ZINC000850120989 632061237 /nfs/dbraw/zinc/06/12/37/632061237.db2.gz MNKUUFLFQZDKJR-UHFFFAOYSA-N 0 3 302.399 3.087 20 30 DGEDHN CN(CCC#N)c1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368736 632128281 /nfs/dbraw/zinc/12/82/81/632128281.db2.gz DXRVXMAPIOPOHV-VQTJNVASSA-N 0 3 321.424 3.304 20 30 DGEDHN COCc1csc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000850378179 632132041 /nfs/dbraw/zinc/13/20/41/632132041.db2.gz WTNRGVVWGSIDPZ-ZDUSSCGKSA-N 0 3 316.426 3.475 20 30 DGEDHN C=CCN(CC[C@@H]1COC(C)(C)O1)Cc1cccc(C#N)c1 ZINC000851738717 632480040 /nfs/dbraw/zinc/48/00/40/632480040.db2.gz POGVFKYMIGFVTK-QGZVFWFLSA-N 0 3 300.402 3.088 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000852096675 632553373 /nfs/dbraw/zinc/55/33/73/632553373.db2.gz FGDLBJIATWZMDG-OXQOHEQNSA-N 0 3 312.457 3.205 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000852096673 632553408 /nfs/dbraw/zinc/55/34/08/632553408.db2.gz FGDLBJIATWZMDG-JXFKEZNVSA-N 0 3 312.457 3.205 20 30 DGEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000852100554 632554109 /nfs/dbraw/zinc/55/41/09/632554109.db2.gz XXPYJEKRYYJESF-APWZRJJASA-N 0 3 300.446 3.204 20 30 DGEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000852099798 632554120 /nfs/dbraw/zinc/55/41/20/632554120.db2.gz BACBKLNGJHVYHB-JJRVBVJISA-N 0 3 304.459 3.192 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000852101943 632555365 /nfs/dbraw/zinc/55/53/65/632555365.db2.gz IQIZLYGBASPGEN-KBXCAEBGSA-N 0 3 304.409 3.127 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000852101966 632555429 /nfs/dbraw/zinc/55/54/29/632555429.db2.gz IVDDXMMYPJEPRI-SUMWQHHRSA-N 0 3 306.837 3.251 20 30 DGEDHN C=CCN(C[C@@H](O)c1cccc(C(F)(F)F)c1)[C@H](C)COC ZINC000852357948 632594771 /nfs/dbraw/zinc/59/47/71/632594771.db2.gz KBQUVCYBFMJFJR-IUODEOHRSA-N 0 3 317.351 3.262 20 30 DGEDHN C=CCN(Cc1ccc(SC(=O)N(C)C)cc1)[C@H](C)COC ZINC000852358452 632595334 /nfs/dbraw/zinc/59/53/34/632595334.db2.gz SHLYMKVWKNKOCT-CQSZACIVSA-N 0 3 322.474 3.483 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H](C)C1 ZINC000943745031 660197976 /nfs/dbraw/zinc/19/79/76/660197976.db2.gz QLKPMKMIMNLWON-MKXGPGLRSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H](C)C1 ZINC000943745033 660197979 /nfs/dbraw/zinc/19/79/79/660197979.db2.gz QLKPMKMIMNLWON-VJANTYMQSA-N 0 3 318.505 3.299 20 30 DGEDHN C=CCCN1CC(CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001032180654 660211254 /nfs/dbraw/zinc/21/12/54/660211254.db2.gz IWBSAEJHQHQZDJ-UHFFFAOYSA-N 0 3 318.417 3.278 20 30 DGEDHN 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GWLXPOOLECVGRL-UHFFFAOYSA-N 0 3 312.457 3.275 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cc(C)c(Cl)cc2C)CC1 ZINC001001706139 660456529 /nfs/dbraw/zinc/45/65/29/660456529.db2.gz VLVYPCMQTDUZTM-UHFFFAOYSA-N 0 3 318.848 3.032 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2CCC(C3CC3)CC2)CC1 ZINC001002092374 660463881 /nfs/dbraw/zinc/46/38/81/660463881.db2.gz IFBDOHAJSDLJQK-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2c(C)csc2Cl)CC1 ZINC001002080591 660464771 /nfs/dbraw/zinc/46/47/71/660464771.db2.gz AFWXKUMAPDRUMZ-UHFFFAOYSA-N 0 3 324.877 3.175 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3ncccc3s2)CC1 ZINC001003421631 660493160 /nfs/dbraw/zinc/49/31/60/660493160.db2.gz FQZCKFYDPBQXBI-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(CC)c(CC)c2)CC1 ZINC001004298939 660540218 /nfs/dbraw/zinc/54/02/18/660540218.db2.gz POXZYJFFGMXEKV-UHFFFAOYSA-N 0 3 300.446 3.192 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C=C(C)C)CC1 ZINC001004323769 660543246 /nfs/dbraw/zinc/54/32/46/660543246.db2.gz XJNHHIIYYNSVTF-INIZCTEOSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001004350613 660544609 /nfs/dbraw/zinc/54/46/09/660544609.db2.gz HVAFBYQXAIHUKH-INIZCTEOSA-N 0 3 321.852 3.084 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001033111425 660547287 /nfs/dbraw/zinc/54/72/87/660547287.db2.gz SSNSCBVGKIKPSD-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001004452045 660551327 /nfs/dbraw/zinc/55/13/27/660551327.db2.gz QZMDYLYXKYCHEZ-INIZCTEOSA-N 0 3 321.852 3.084 20 30 DGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001014680594 660553323 /nfs/dbraw/zinc/55/33/23/660553323.db2.gz CZNHOPRQPULLSB-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H]2CN(CC(=C)Cl)C[C@H]2CC1 ZINC000946714337 660577317 /nfs/dbraw/zinc/57/73/17/660577317.db2.gz OSKJJWYNJJYERK-GASCZTMLSA-N 0 3 310.869 3.122 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)c3ccc(C)s3)C2)CC1 ZINC001040584240 660587066 /nfs/dbraw/zinc/58/70/66/660587066.db2.gz IIGAUCUFXFIZLX-UHFFFAOYSA-N 0 3 316.470 3.008 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc3ccccc32)C1 ZINC001033301614 660605765 /nfs/dbraw/zinc/60/57/65/660605765.db2.gz XNJCCWVFYFSHPU-AWEZNQCLSA-N 0 3 312.438 3.071 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)C(C)(C)C)CCN1Cc1ccc(C#N)cc1 ZINC000947962793 660609782 /nfs/dbraw/zinc/60/97/82/660609782.db2.gz OJBOWSBFVHTJEU-WMLDXEAASA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001033411279 660619107 /nfs/dbraw/zinc/61/91/07/660619107.db2.gz WOQGQEKNQHBPJL-QGZVFWFLSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001033451278 660623258 /nfs/dbraw/zinc/62/32/58/660623258.db2.gz WNLYZPYDVZMYJY-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2F)C1 ZINC001033505167 660628055 /nfs/dbraw/zinc/62/80/55/660628055.db2.gz RUMKRFQWQNXECI-HNNXBMFYSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccn2C2CCCC2)C1 ZINC001033539813 660631400 /nfs/dbraw/zinc/63/14/00/660631400.db2.gz MLAGVALWRZQFHX-KRWDZBQOSA-N 0 3 315.461 3.326 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3cccnc3s2)C1 ZINC001033552935 660632239 /nfs/dbraw/zinc/63/22/39/660632239.db2.gz KRBMIZKOSSEBMA-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2OC(C)C)C1 ZINC001033599623 660636633 /nfs/dbraw/zinc/63/66/33/660636633.db2.gz QVWSMDGNDMLPQF-MRXNPFEDSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001033604010 660637332 /nfs/dbraw/zinc/63/73/32/660637332.db2.gz XRFVSEJDHQSHHZ-MSOLQXFVSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2Cl)C[C@@H]1C ZINC000947963402 660661671 /nfs/dbraw/zinc/66/16/71/660661671.db2.gz UJVHJSGJSYMECC-RYUDHWBXSA-N 0 3 310.800 3.248 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c(C)oc3ccccc32)C1 ZINC001033849475 660670462 /nfs/dbraw/zinc/67/04/62/660670462.db2.gz FWUWHVMNVCAMCX-MRXNPFEDSA-N 0 3 324.424 3.301 20 30 DGEDHN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001033855832 660671429 /nfs/dbraw/zinc/67/14/29/660671429.db2.gz NCHSKVHKXWONLB-KRWDZBQOSA-N 0 3 315.461 3.177 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(Cl)ccc2F)C1 ZINC001033890115 660675027 /nfs/dbraw/zinc/67/50/27/660675027.db2.gz KTNMMNKYPNQOOE-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2nsc3ccccc32)CC1 ZINC001005440489 660675687 /nfs/dbraw/zinc/67/56/87/660675687.db2.gz HBICZKHXRIZFHI-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccoc2C(F)(F)F)CC1 ZINC001005452987 660677502 /nfs/dbraw/zinc/67/75/02/660677502.db2.gz DQLNRHWXWLCETM-UHFFFAOYSA-N 0 3 316.323 3.021 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001033978600 660689325 /nfs/dbraw/zinc/68/93/25/660689325.db2.gz AHDFODQNUKWGDW-LSDHHAIUSA-N 0 3 319.449 3.301 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(Cl)ccc2C)C1 ZINC001033992529 660690963 /nfs/dbraw/zinc/69/09/63/660690963.db2.gz SMXSRCXXPPGBAR-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001034054309 660699794 /nfs/dbraw/zinc/69/97/94/660699794.db2.gz WYEWAVUAWPFIFB-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001034043342 660700904 /nfs/dbraw/zinc/70/09/04/660700904.db2.gz DJYIZRGPZBCBCI-QGZVFWFLSA-N 0 3 316.420 3.002 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)c(CC)s2)C1 ZINC001034040641 660696520 /nfs/dbraw/zinc/69/65/20/660696520.db2.gz YRGXUHJTUZGOEF-OAHLLOKOSA-N 0 3 318.486 3.179 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001034034840 660697628 /nfs/dbraw/zinc/69/76/28/660697628.db2.gz GQJSXMYRCVQZQY-HXUWFJFHSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001034208735 660723669 /nfs/dbraw/zinc/72/36/69/660723669.db2.gz FFWZIQMBOWVKIG-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001034211238 660723844 /nfs/dbraw/zinc/72/38/44/660723844.db2.gz NNUFBXQHVIOHDE-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001034274360 660731546 /nfs/dbraw/zinc/73/15/46/660731546.db2.gz CDRBUNOHNBRSPS-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001034232984 660726071 /nfs/dbraw/zinc/72/60/71/660726071.db2.gz ZTKGKXVAZWLKHY-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001034235590 660727449 /nfs/dbraw/zinc/72/74/49/660727449.db2.gz CYPORAIYWXUCGX-KRWDZBQOSA-N 0 3 311.429 3.018 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001034258159 660729238 /nfs/dbraw/zinc/72/92/38/660729238.db2.gz STDLDXORMICVJN-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001034299379 660734098 /nfs/dbraw/zinc/73/40/98/660734098.db2.gz PLRIRNDYSCRCMM-OAHLLOKOSA-N 0 3 311.429 3.247 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001034303708 660734734 /nfs/dbraw/zinc/73/47/34/660734734.db2.gz MHOQBKSCECXWDQ-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001034368987 660742026 /nfs/dbraw/zinc/74/20/26/660742026.db2.gz ODSDCTAVGZQKOK-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001034447698 660752711 /nfs/dbraw/zinc/75/27/11/660752711.db2.gz JETXQMHDOJBOBH-CVEARBPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001034435969 660753876 /nfs/dbraw/zinc/75/38/76/660753876.db2.gz NMSBHBHQPIVVDI-GGPKGHCWSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001034443887 660755131 /nfs/dbraw/zinc/75/51/31/660755131.db2.gz AVVIOWGBYKDNJL-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001034468139 660755596 /nfs/dbraw/zinc/75/55/96/660755596.db2.gz GOIVBFJHBWTPQV-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001034451449 660756095 /nfs/dbraw/zinc/75/60/95/660756095.db2.gz RFFUHRKQRGOZDL-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001034451220 660756199 /nfs/dbraw/zinc/75/61/99/660756199.db2.gz QBWZBRIMUTZJBE-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001034472770 660758713 /nfs/dbraw/zinc/75/87/13/660758713.db2.gz YPVAUTKRCUASNK-GOSISDBHSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCN1CCCC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001034496751 660760270 /nfs/dbraw/zinc/76/02/70/660760270.db2.gz MHXQWWGEDIQXFZ-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001034508871 660763823 /nfs/dbraw/zinc/76/38/23/660763823.db2.gz QWFNKANFRNOKCH-YMAMQOFZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001034500370 660765985 /nfs/dbraw/zinc/76/59/85/660765985.db2.gz KMMUZHKVHPYQON-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001034524708 660766489 /nfs/dbraw/zinc/76/64/89/660766489.db2.gz UHBYCCQBHCHOMQ-MRXNPFEDSA-N 0 3 318.486 3.227 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001034521056 660768294 /nfs/dbraw/zinc/76/82/94/660768294.db2.gz KUFUKAUAQKFJKW-HNNXBMFYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001034540571 660770537 /nfs/dbraw/zinc/77/05/37/660770537.db2.gz IKTCRSRLRIJOIX-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cc(C)ns1 ZINC001035036701 660811111 /nfs/dbraw/zinc/81/11/11/660811111.db2.gz GSQQNLMLAKKAFR-RHSMWYFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC001035745972 660850666 /nfs/dbraw/zinc/85/06/66/660850666.db2.gz RNDLSGXFJNFPOI-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]1CC)CC2 ZINC001035787699 660852052 /nfs/dbraw/zinc/85/20/52/660852052.db2.gz RUXJMEUABXNGLL-SJORKVTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC(C)(C)C1)CC2 ZINC001035788168 660852105 /nfs/dbraw/zinc/85/21/05/660852105.db2.gz ASHGGTVBSOOJPD-MRXNPFEDSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]1CC)CC2 ZINC001035787698 660852129 /nfs/dbraw/zinc/85/21/29/660852129.db2.gz RUXJMEUABXNGLL-IRXDYDNUSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccccc1CC)CC2 ZINC001035778533 660853477 /nfs/dbraw/zinc/85/34/77/660853477.db2.gz LUMNDUCUDVIUTM-UHFFFAOYSA-N 0 3 312.457 3.363 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc(F)c1F)CC2 ZINC001035777213 660853507 /nfs/dbraw/zinc/85/35/07/660853507.db2.gz IZUXIXQFDHEYLP-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C1CCCC1)CC2 ZINC001035826936 660853981 /nfs/dbraw/zinc/85/39/81/660853981.db2.gz KUXTZBHYEFFFFG-ROUUACIJSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCCC3)CC2 ZINC001035829119 660856518 /nfs/dbraw/zinc/85/65/18/660856518.db2.gz JUOSEJCAXKTFMH-INIZCTEOSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1CCCC[C@H]1C)CC2 ZINC001035859343 660860897 /nfs/dbraw/zinc/86/08/97/660860897.db2.gz AERZOUCKBVRKFV-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2nccs2)[C@H](C)C1 ZINC001036133660 660879473 /nfs/dbraw/zinc/87/94/73/660879473.db2.gz CEUKDSYLQPWUSU-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(F)c(C)c2)CC1 ZINC001005904918 660947853 /nfs/dbraw/zinc/94/78/53/660947853.db2.gz GIONSPVBNRELPC-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000947966748 660942289 /nfs/dbraw/zinc/94/22/89/660942289.db2.gz HVLIFUDLGJQQCV-QFBILLFUSA-N 0 3 312.457 3.416 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000947966747 660942367 /nfs/dbraw/zinc/94/23/67/660942367.db2.gz HVLIFUDLGJQQCV-LPHOPBHVSA-N 0 3 312.457 3.416 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C(F)F)cc2)CC1 ZINC001006139182 660965220 /nfs/dbraw/zinc/96/52/20/660965220.db2.gz KPQXOVWFXRUDQC-UHFFFAOYSA-N 0 3 308.372 3.347 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(C)c2Cl)CC1 ZINC001006162727 660966659 /nfs/dbraw/zinc/96/66/59/660966659.db2.gz JVSGFNZZSUGWKB-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)cc(OC)c2)CC1 ZINC001006172969 660967029 /nfs/dbraw/zinc/96/70/29/660967029.db2.gz HKYNPRHMCJLPOZ-UHFFFAOYSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc3scnc3c2)CC1 ZINC001006223420 660968378 /nfs/dbraw/zinc/96/83/78/660968378.db2.gz UDOQBWILFKEYEW-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc3ccncc32)CC1 ZINC001006231940 660970945 /nfs/dbraw/zinc/97/09/45/660970945.db2.gz FYBYBJOPRWIWNI-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016444170 660973318 /nfs/dbraw/zinc/97/33/18/660973318.db2.gz SYLQJRUQHZXODL-ZDUSSCGKSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)c2ccc(C)cc2)CC1 ZINC001006309097 660974232 /nfs/dbraw/zinc/97/42/32/660974232.db2.gz DHSCCSVXOBMFQM-UHFFFAOYSA-N 0 3 314.473 3.381 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000805999348 660979844 /nfs/dbraw/zinc/97/98/44/660979844.db2.gz ZYAMCLMOGSEMRQ-IBGZPJMESA-N 0 3 311.425 3.039 20 30 DGEDHN COC[C@@H](C)NN=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794926647 661113987 /nfs/dbraw/zinc/11/39/87/661113987.db2.gz DISZSMVUJQGDKZ-MRXNPFEDSA-N 0 3 323.440 3.208 20 30 DGEDHN C=CCNN=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000795003606 661120798 /nfs/dbraw/zinc/12/07/98/661120798.db2.gz MNYPHZASMYAFPT-UHFFFAOYSA-N 0 3 301.434 3.181 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000795328844 661140461 /nfs/dbraw/zinc/14/04/61/661140461.db2.gz IXAVUEQDYACDTJ-QAPCUYQASA-N 0 3 324.399 3.377 20 30 DGEDHN N#CC(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000049457200 655524339 /nfs/dbraw/zinc/52/43/39/655524339.db2.gz AFDKNCJSLYGQGA-HNNXBMFYSA-N 0 3 324.340 3.058 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1sccc1OC ZINC000969121240 655525447 /nfs/dbraw/zinc/52/54/47/655525447.db2.gz FJPWCMCZRCYQKP-AWEZNQCLSA-N 0 3 322.474 3.307 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC000969121277 655525491 /nfs/dbraw/zinc/52/54/91/655525491.db2.gz GGUXNYSJFFJSQE-HNNXBMFYSA-N 0 3 321.852 3.286 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC000969131047 655526792 /nfs/dbraw/zinc/52/67/92/655526792.db2.gz WHSWGVCKJAYTIT-SFHVURJKSA-N 0 3 312.457 3.301 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC000969139459 655527256 /nfs/dbraw/zinc/52/72/56/655527256.db2.gz MKNUBBVXUQOROJ-QGZVFWFLSA-N 0 3 324.424 3.431 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000969139860 655527347 /nfs/dbraw/zinc/52/73/47/655527347.db2.gz SAMBJCSNEYXWRO-IBGZPJMESA-N 0 3 312.457 3.301 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000969156374 655529304 /nfs/dbraw/zinc/52/93/04/655529304.db2.gz RGGIQBAMCZSMBD-OPQOLIRYSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCOc1ccccc1NC(=O)c1cccc(CN(C)C)c1 ZINC000187200044 655543101 /nfs/dbraw/zinc/54/31/01/655543101.db2.gz GXKAOMAAPNCYHF-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC000969570818 655551064 /nfs/dbraw/zinc/55/10/64/655551064.db2.gz VTLAIOVYZRPNJM-CQSZACIVSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2coc3ccc(CC)cc23)C1 ZINC000969679351 655554930 /nfs/dbraw/zinc/55/49/30/655554930.db2.gz FVZYIEJJSRWSEM-CQSZACIVSA-N 0 3 324.424 3.069 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC000969769266 655557161 /nfs/dbraw/zinc/55/71/61/655557161.db2.gz LZDWJILJZBKTPB-ZDUSSCGKSA-N 0 3 306.475 3.327 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001020627364 655562244 /nfs/dbraw/zinc/56/22/44/655562244.db2.gz IKWNIKRCEPBSGS-AJNGGQMLSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC000969992134 655567323 /nfs/dbraw/zinc/56/73/23/655567323.db2.gz KIUAGHAVFCKMBZ-GFCCVEGCSA-N 0 3 324.827 3.414 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001020969232 655583891 /nfs/dbraw/zinc/58/38/91/655583891.db2.gz BGEKKKLQQSOTAX-JWIVBDBNSA-N 0 3 322.880 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001020988016 655584792 /nfs/dbraw/zinc/58/47/92/655584792.db2.gz XFMRXIKJZWBHBY-KYZUINATSA-N 0 3 320.792 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001020997045 655585214 /nfs/dbraw/zinc/58/52/14/655585214.db2.gz PGADZKGPFOHUTQ-QJKUTOJQSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001021028896 655587335 /nfs/dbraw/zinc/58/73/35/655587335.db2.gz WIQBXDBDNIJFBD-SHTZXODSSA-N 0 3 323.868 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001021136696 655591574 /nfs/dbraw/zinc/59/15/74/655591574.db2.gz ITXJHDLAUFPKTI-SHTZXODSSA-N 0 3 320.864 3.262 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC000970374731 655596851 /nfs/dbraw/zinc/59/68/51/655596851.db2.gz VNTPIYMDJXFCIA-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C\Cl)C1 ZINC001021373074 655609312 /nfs/dbraw/zinc/60/93/12/655609312.db2.gz CHPURRQWMLYKNG-YBSVPHHVSA-N 0 3 308.853 3.207 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CCCC2)C1 ZINC001021508215 655622523 /nfs/dbraw/zinc/62/25/23/655622523.db2.gz HKCMWRGPOVAKME-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C=C2CCCCC2)C1 ZINC001021536756 655626082 /nfs/dbraw/zinc/62/60/82/655626082.db2.gz SZWLUHDNSDGMMO-RTBURBONSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2C(C)(C)C2(C)C)C1 ZINC001021554098 655630288 /nfs/dbraw/zinc/63/02/88/655630288.db2.gz HPZFREXAQCFCGM-CVEARBPZSA-N 0 3 316.489 3.005 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)C[C@H]1C ZINC000947417248 655637497 /nfs/dbraw/zinc/63/74/97/655637497.db2.gz NZMNYTVGTJKQNI-OLZOCXBDSA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000970997072 655648602 /nfs/dbraw/zinc/64/86/02/655648602.db2.gz PUYDKITYXRICTA-CYBMUJFWSA-N 0 3 322.399 3.425 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2CC)C1 ZINC001021660861 655651161 /nfs/dbraw/zinc/65/11/61/655651161.db2.gz HKAXQWVKFCXDFM-ICSRJNTNSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C1CCC(C(=O)N2CCC[C@@H]3CN(CC#CC)CC[C@H]32)CC1 ZINC001021665890 655652214 /nfs/dbraw/zinc/65/22/14/655652214.db2.gz NDOFNHMTYASRGW-RTBURBONSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001021718824 655663071 /nfs/dbraw/zinc/66/30/71/655663071.db2.gz KKIAUCOLSLPVHM-NCXUSEDFSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C)c(C)c2)C1 ZINC001021728626 655665025 /nfs/dbraw/zinc/66/50/25/655665025.db2.gz VBQJVWKNGWXVOA-UXHICEINSA-N 0 3 324.468 3.253 20 30 DGEDHN CC1(C)OCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CO1 ZINC000795812738 661174194 /nfs/dbraw/zinc/17/41/94/661174194.db2.gz FVVZDDZXTXCJPI-QGZVFWFLSA-N 0 3 300.402 3.067 20 30 DGEDHN CCc1noc(CC)c1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000178108402 655710380 /nfs/dbraw/zinc/71/03/80/655710380.db2.gz LUDIWJPBUDFHDZ-GFCCVEGCSA-N 0 3 323.352 3.360 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001022134298 655715094 /nfs/dbraw/zinc/71/50/94/655715094.db2.gz TUNKZJWYUNWEJD-BETUJISGSA-N 0 3 318.804 3.344 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(OC)c(C)c1 ZINC000933487171 655715985 /nfs/dbraw/zinc/71/59/85/655715985.db2.gz NUVVRBGEFPIIQH-OAHLLOKOSA-N 0 3 304.434 3.079 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000971677319 655720901 /nfs/dbraw/zinc/72/09/01/655720901.db2.gz ILVRTEUGVICQLE-VIFPVBQESA-N 0 3 319.257 3.387 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001022288398 655726778 /nfs/dbraw/zinc/72/67/78/655726778.db2.gz DAOBIKPQEPUKHS-HLLBOEOZSA-N 0 3 318.848 3.096 20 30 DGEDHN CCN(CCCN(C)Cc1cc(C#N)cs1)CC(F)(F)F ZINC000933773172 655732736 /nfs/dbraw/zinc/73/27/36/655732736.db2.gz FZRXMBXKKWFJST-UHFFFAOYSA-N 0 3 319.396 3.326 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001022392435 655735310 /nfs/dbraw/zinc/73/53/10/655735310.db2.gz HHFTZRHFZICIOA-BETUJISGSA-N 0 3 317.820 3.079 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001022626963 655757222 /nfs/dbraw/zinc/75/72/22/655757222.db2.gz SUKFNRLWBRJKPV-PHIMTYICSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3ccccc3F)C2)C1 ZINC001022680769 655762878 /nfs/dbraw/zinc/76/28/78/655762878.db2.gz OPJSCDMQAVFEFS-SOUVJXGZSA-N 0 3 316.420 3.480 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001022760622 655781661 /nfs/dbraw/zinc/78/16/61/655781661.db2.gz GIGNCEQAIUMDJC-PHIMTYICSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000972245065 655782163 /nfs/dbraw/zinc/78/21/63/655782163.db2.gz JLQBCZNTYLMSMJ-HKUYNNGSSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)Cc3ccc(F)cc3)C2)C1 ZINC000972276128 655784938 /nfs/dbraw/zinc/78/49/38/655784938.db2.gz RULUXUCBGSVYIR-QGZVFWFLSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001022821156 655791706 /nfs/dbraw/zinc/79/17/06/655791706.db2.gz JPSXKQGKVPJICK-GCGBMVOASA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cscc1C(F)F ZINC001038252194 655809358 /nfs/dbraw/zinc/80/93/58/655809358.db2.gz KRKMKTSGVLIHJS-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(-c3ccco3)o2)C[C@@H]1C ZINC000947535852 655810273 /nfs/dbraw/zinc/81/02/73/655810273.db2.gz BCHHRCSKAVONPF-UONOGXRCSA-N 0 3 314.385 3.308 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001023038610 655810357 /nfs/dbraw/zinc/81/03/57/655810357.db2.gz PGADZKGPFOHUTQ-STONLHKKSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001023049287 655810977 /nfs/dbraw/zinc/81/09/77/655810977.db2.gz OEZUZPWFXWXWBK-PHIMTYICSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001023137677 655814599 /nfs/dbraw/zinc/81/45/99/655814599.db2.gz QAOVNYRYCRKLAI-BETUJISGSA-N 0 3 317.820 3.079 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC000972555444 655829670 /nfs/dbraw/zinc/82/96/70/655829670.db2.gz OGNVAOSRMSIRIF-MAUKXSAKSA-N 0 3 300.446 3.071 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001023406874 655831708 /nfs/dbraw/zinc/83/17/08/655831708.db2.gz XFHLETZEKVXMFB-KRWDZBQOSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2C)C[C@H]1C ZINC000947555647 655833403 /nfs/dbraw/zinc/83/34/03/655833403.db2.gz KYXQVFRHMOQLDY-ZBFHGGJFSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001023481041 655836521 /nfs/dbraw/zinc/83/65/21/655836521.db2.gz ALGLTRVOCHBYEB-CQSZACIVSA-N 0 3 314.385 3.167 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001023529067 655840066 /nfs/dbraw/zinc/84/00/66/655840066.db2.gz WDCNTAKRFHSODP-HNNXBMFYSA-N 0 3 318.848 3.032 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001023613907 655848608 /nfs/dbraw/zinc/84/86/08/655848608.db2.gz PPCFNNLNVUDQAB-SQNIBIBYSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(C)c2Cl)C1 ZINC001023652735 655852811 /nfs/dbraw/zinc/85/28/11/655852811.db2.gz NMTXUHVVXJDOPK-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C[C@H]1C ZINC000947586861 655854777 /nfs/dbraw/zinc/85/47/77/655854777.db2.gz ZVJQXPVBGCOTSP-HZPDHXFCSA-N 0 3 323.440 3.001 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2sccc2C2CC2)C1 ZINC001023735538 655860004 /nfs/dbraw/zinc/86/00/04/655860004.db2.gz OZVAEWNUQQGCGP-CQSZACIVSA-N 0 3 316.470 3.091 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001023735319 655860102 /nfs/dbraw/zinc/86/01/02/655860102.db2.gz KXQJNABVOLMNDE-KRWDZBQOSA-N 0 3 324.468 3.031 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001023738118 655860258 /nfs/dbraw/zinc/86/02/58/655860258.db2.gz YTPLFPZZBACGFK-HNNXBMFYSA-N 0 3 312.413 3.369 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001023763094 655862752 /nfs/dbraw/zinc/86/27/52/655862752.db2.gz CPJQEIYGFQCJJX-DLBZAZTESA-N 0 3 312.457 3.275 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000972760639 655878654 /nfs/dbraw/zinc/87/86/54/655878654.db2.gz VSQFWIQDYMAWKS-AWEZNQCLSA-N 0 3 320.864 3.336 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000972770034 655879558 /nfs/dbraw/zinc/87/95/58/655879558.db2.gz MVCBGKQURAZEBV-MSOLQXFVSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@H]1CCCCN1CC=C(C)C ZINC001024479656 655909759 /nfs/dbraw/zinc/90/97/59/655909759.db2.gz MIZJZUFVRCNRSQ-QGZVFWFLSA-N 0 3 315.461 3.225 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001024571289 655918781 /nfs/dbraw/zinc/91/87/81/655918781.db2.gz WTEBGHFVLXUMBV-XWTMOSNGSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001024630550 655926084 /nfs/dbraw/zinc/92/60/84/655926084.db2.gz RBPVCHALNRDCSQ-KRWDZBQOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001024672109 655928621 /nfs/dbraw/zinc/92/86/21/655928621.db2.gz RVJRQASSCFQWBS-QGZVFWFLSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001024728582 655933576 /nfs/dbraw/zinc/93/35/76/655933576.db2.gz DCHWWAIDLQNXDU-GUDVDZBRSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001024771950 655937225 /nfs/dbraw/zinc/93/72/25/655937225.db2.gz NNAPETPJYBFLEM-BZSNNMDCSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789691 655939491 /nfs/dbraw/zinc/93/94/91/655939491.db2.gz YITFVKRDMPKSBO-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001024826729 655943267 /nfs/dbraw/zinc/94/32/67/655943267.db2.gz YKLGMUALVQZTML-HNNXBMFYSA-N 0 3 310.397 3.040 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1scnc1C ZINC001025040526 655958146 /nfs/dbraw/zinc/95/81/46/655958146.db2.gz FSNGVWCPAQLPQS-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCSCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000181093389 655972554 /nfs/dbraw/zinc/97/25/54/655972554.db2.gz RCVWMOFNWCEDRL-NSHDSACASA-N 0 3 313.850 3.374 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001025190326 655974059 /nfs/dbraw/zinc/97/40/59/655974059.db2.gz AUAXJQXSCPQJGZ-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC001025199731 655976574 /nfs/dbraw/zinc/97/65/74/655976574.db2.gz YUKRDSDFOFHFDF-SJORKVTESA-N 0 3 316.470 3.231 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196495 655976858 /nfs/dbraw/zinc/97/68/58/655976858.db2.gz VMZRUEBNQSVUSN-PMACEKPBSA-N 0 3 324.468 3.477 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1csnc1C ZINC001025218556 655980399 /nfs/dbraw/zinc/98/03/99/655980399.db2.gz OKZFDPAAGCBHDB-JKSUJKDBSA-N 0 3 319.474 3.097 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC001025218484 655980665 /nfs/dbraw/zinc/98/06/65/655980665.db2.gz NJDOKAVKLGXAKT-RTBURBONSA-N 0 3 314.473 3.356 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227510 655981506 /nfs/dbraw/zinc/98/15/06/655981506.db2.gz QGZWCRXMFYFUPR-MSOLQXFVSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C(C)C ZINC001025236113 655982858 /nfs/dbraw/zinc/98/28/58/655982858.db2.gz RQJSXBVXMFGFJW-DLBZAZTESA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C=C)cc1 ZINC001025265954 655986421 /nfs/dbraw/zinc/98/64/21/655986421.db2.gz BBGGHCXIDPUQJA-UXHICEINSA-N 0 3 322.452 3.422 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CC=CC1 ZINC001025268472 655986830 /nfs/dbraw/zinc/98/68/30/655986830.db2.gz ZWAMKLBCQGRGPI-ZWKOTPCHSA-N 0 3 314.473 3.212 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1nccs1 ZINC001025282285 655988706 /nfs/dbraw/zinc/98/87/06/655988706.db2.gz AVUXTPYUOUYBRL-HUUCEWRRSA-N 0 3 319.474 3.178 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1nccs1 ZINC001025282290 655988718 /nfs/dbraw/zinc/98/87/18/655988718.db2.gz AVUXTPYUOUYBRL-LSDHHAIUSA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025291473 655989264 /nfs/dbraw/zinc/98/92/64/655989264.db2.gz ABCJFWCOYNVSQU-RTBURBONSA-N 0 3 310.441 3.087 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025291472 655989370 /nfs/dbraw/zinc/98/93/70/655989370.db2.gz ABCJFWCOYNVSQU-RBUKOAKNSA-N 0 3 310.441 3.087 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(CC)cc1 ZINC001025298085 655990174 /nfs/dbraw/zinc/99/01/74/655990174.db2.gz UCHQUFMNKYRXII-UXHICEINSA-N 0 3 324.468 3.341 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC001025491799 656023301 /nfs/dbraw/zinc/02/33/01/656023301.db2.gz YUIFZOHJVBWMSX-AEFFLSMTSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001025555251 656035507 /nfs/dbraw/zinc/03/55/07/656035507.db2.gz LBBPZMJMVXPRPJ-RIGHFQGKSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC001025586902 656040856 /nfs/dbraw/zinc/04/08/56/656040856.db2.gz GZLRYJNMNLQTBJ-LPHOPBHVSA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001025603087 656044547 /nfs/dbraw/zinc/04/45/47/656044547.db2.gz QKXHDZAOGINGPV-APWZRJJASA-N 0 3 312.457 3.274 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC001025611187 656046864 /nfs/dbraw/zinc/04/68/64/656046864.db2.gz JXFUUSSZLDYKOQ-ROUUACIJSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC001025613792 656047540 /nfs/dbraw/zinc/04/75/40/656047540.db2.gz ARPHVUVWLYOZBN-CABCVRRESA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC001025614568 656048093 /nfs/dbraw/zinc/04/80/93/656048093.db2.gz LWDLKHPVOOSAER-ZBFHGGJFSA-N 0 3 318.486 3.219 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(Cl)s2)C1 ZINC001025614306 656048594 /nfs/dbraw/zinc/04/85/94/656048594.db2.gz JOEBYOVZMHZHQM-QWHCGFSZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001025628142 656050669 /nfs/dbraw/zinc/05/06/69/656050669.db2.gz NOHADIANOFICKQ-OXJNMPFZSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001025628704 656051495 /nfs/dbraw/zinc/05/14/95/656051495.db2.gz UHRKIKITNRNKKM-DNVCBOLYSA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC001025630786 656052655 /nfs/dbraw/zinc/05/26/55/656052655.db2.gz WCCKBXYKTGCMAL-SARBKMAYSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C(C)C)s2)C1 ZINC001025634108 656053689 /nfs/dbraw/zinc/05/36/89/656053689.db2.gz ZKIDOGOSHQEFQO-LSDHHAIUSA-N 0 3 318.486 3.335 20 30 DGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000930623888 656106087 /nfs/dbraw/zinc/10/60/87/656106087.db2.gz VQVCMLDJERJMBZ-GVDBMIGSSA-N 0 3 304.821 3.337 20 30 DGEDHN C#CC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000844047865 661237701 /nfs/dbraw/zinc/23/77/01/661237701.db2.gz XDAZPUIHYWHQNS-UHFFFAOYSA-N 0 3 310.441 3.158 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2sc(C)cc2C)C(C)(C)C1 ZINC000974621767 656217776 /nfs/dbraw/zinc/21/77/76/656217776.db2.gz BUTFAEQMKXAHOL-AWEZNQCLSA-N 0 3 306.475 3.381 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)cccc2C)C(C)(C)C1 ZINC000974632006 656217829 /nfs/dbraw/zinc/21/78/29/656217829.db2.gz IZFKNTVGCMRXKG-GOSISDBHSA-N 0 3 314.473 3.249 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2c(C)noc2C(C)C)C(C)(C)C1 ZINC000974716114 656224492 /nfs/dbraw/zinc/22/44/92/656224492.db2.gz RYNUPMYCEMUXEP-AWEZNQCLSA-N 0 3 319.449 3.123 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccccc2CC)C(C)(C)C1 ZINC000974744939 656226614 /nfs/dbraw/zinc/22/66/14/656226614.db2.gz VYSJRFDHVLTYCB-SFHVURJKSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C3CCC3)CCC2)C(C)(C)C1 ZINC000974908746 656239973 /nfs/dbraw/zinc/23/99/73/656239973.db2.gz VXPRNDDKQQCFMX-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cc(F)cc2C)C(C)(C)C1 ZINC000974927181 656242393 /nfs/dbraw/zinc/24/23/93/656242393.db2.gz XPLRITKMNLLMJV-INIZCTEOSA-N 0 3 318.436 3.459 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)c(C)c2)C(C)(C)C1 ZINC000974977911 656244952 /nfs/dbraw/zinc/24/49/52/656244952.db2.gz XMHCCQVAEZQOJD-INIZCTEOSA-N 0 3 304.409 3.150 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2nccc3ccccc32)C(C)(C)C1 ZINC000974960171 656246618 /nfs/dbraw/zinc/24/66/18/656246618.db2.gz GAYGXXICHOBMPP-KRWDZBQOSA-N 0 3 323.440 3.251 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2c(C)cccc2Cl)C(C)(C)C1 ZINC000975010684 656249882 /nfs/dbraw/zinc/24/98/82/656249882.db2.gz JBZUADFDRPXRPS-HNNXBMFYSA-N 0 3 318.848 3.112 20 30 DGEDHN COc1cccc(/C=N/C[C@@H](C)N2CCc3ccccc3C2)c1O ZINC000026432371 656250426 /nfs/dbraw/zinc/25/04/26/656250426.db2.gz RLESPWUNPNCXSQ-NWGMWSOJSA-N 0 3 324.424 3.267 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2C2(C)CC2)C(C)(C)C1 ZINC000975036278 656250578 /nfs/dbraw/zinc/25/05/78/656250578.db2.gz ICRHGRSYQNDWOV-GOSISDBHSA-N 0 3 324.468 3.202 20 30 DGEDHN N#CC(C(=O)CCOCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000125075254 656265996 /nfs/dbraw/zinc/26/59/96/656265996.db2.gz ARVMYNOJLFSVLY-OAHLLOKOSA-N 0 3 319.364 3.346 20 30 DGEDHN CC[C@H](C)C(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027305793 656284647 /nfs/dbraw/zinc/28/46/47/656284647.db2.gz SYOGCLREAOCJRJ-MAUKXSAKSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C2CCCCC2)C(C)(C)C1 ZINC000977285218 656320216 /nfs/dbraw/zinc/32/02/16/656320216.db2.gz NLTFJXLSFHGUAA-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(Cl)c2)C(C)(C)C1 ZINC000977528165 656339153 /nfs/dbraw/zinc/33/91/53/656339153.db2.gz XNLGKVFFNJLDGM-HNNXBMFYSA-N 0 3 306.837 3.356 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977543213 656340332 /nfs/dbraw/zinc/34/03/32/656340332.db2.gz LIJPRSZDNRUTQP-QGZVFWFLSA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)C(C)(C)C1 ZINC000977573601 656344022 /nfs/dbraw/zinc/34/40/22/656344022.db2.gz LWUWGFAZAGLELF-GOSISDBHSA-N 0 3 312.457 3.192 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2sc(C)nc2C)C(C)(C)C1 ZINC000977574987 656344426 /nfs/dbraw/zinc/34/44/26/656344426.db2.gz KONWYLPOEGVSLJ-AWEZNQCLSA-N 0 3 321.490 3.166 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C1 ZINC000977564833 656345369 /nfs/dbraw/zinc/34/53/69/656345369.db2.gz HZBKSEHTQORDTE-QGZVFWFLSA-N 0 3 311.429 3.184 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C3CC3)cc2)C(C)(C)C1 ZINC000977604626 656347468 /nfs/dbraw/zinc/34/74/68/656347468.db2.gz POEOZSLCOPEESS-SFHVURJKSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C(C)(C)C1 ZINC000977607469 656347660 /nfs/dbraw/zinc/34/76/60/656347660.db2.gz WOIIDJMESNKTHB-INIZCTEOSA-N 0 3 318.436 3.459 20 30 DGEDHN C=CCN1C[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C(C)(C)C1 ZINC000977599448 656348258 /nfs/dbraw/zinc/34/82/58/656348258.db2.gz MDHWWYMPMRTVNR-SFHVURJKSA-N 0 3 323.440 3.308 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000977648364 656351022 /nfs/dbraw/zinc/35/10/22/656351022.db2.gz AAQSFUDUTHYQPD-GPANFISMSA-N 0 3 306.494 3.461 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001027595125 656369370 /nfs/dbraw/zinc/36/93/70/656369370.db2.gz VNXPFMLREGQOFX-OAHLLOKOSA-N 0 3 316.445 3.055 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001027595124 656369534 /nfs/dbraw/zinc/36/95/34/656369534.db2.gz VNXPFMLREGQOFX-HNNXBMFYSA-N 0 3 316.445 3.055 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001027649130 656384920 /nfs/dbraw/zinc/38/49/20/656384920.db2.gz CDAVSSJCZJGULS-QGZVFWFLSA-N 0 3 324.424 3.219 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC001027694015 656397860 /nfs/dbraw/zinc/39/78/60/656397860.db2.gz PAQBNUGVUHHJOA-MRXNPFEDSA-N 0 3 324.424 3.219 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(C)oc3ccccc32)CC1 ZINC001052410676 656434289 /nfs/dbraw/zinc/43/42/89/656434289.db2.gz UPXGRXVEKWYSJQ-MRXNPFEDSA-N 0 3 324.424 3.349 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001052408791 656434357 /nfs/dbraw/zinc/43/43/57/656434357.db2.gz KORXQDHBSBVQBY-QZTJIDSGSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001052488843 656439077 /nfs/dbraw/zinc/43/90/77/656439077.db2.gz JXUDPMHQQWJKQK-ZWKOTPCHSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001052490603 656439154 /nfs/dbraw/zinc/43/91/54/656439154.db2.gz 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C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2cnccc21 ZINC001049902396 656717675 /nfs/dbraw/zinc/71/76/75/656717675.db2.gz SXBORNCQRQMBDQ-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@H]21 ZINC001042066234 656717811 /nfs/dbraw/zinc/71/78/11/656717811.db2.gz CORMCFPXONRAEN-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)C[C@H]21 ZINC001042143263 656726097 /nfs/dbraw/zinc/72/60/97/656726097.db2.gz VGCVDLBIRKMRLO-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001049957094 656733765 /nfs/dbraw/zinc/73/37/65/656733765.db2.gz NRHYWWWZYZUUMC-LSDHHAIUSA-N 0 3 304.459 3.169 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C[C@@H]21 ZINC001042212472 656737046 /nfs/dbraw/zinc/73/70/46/656737046.db2.gz DWXVMLZYOLHHCS-PBHICJAKSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@H]21 ZINC001042216527 656738086 /nfs/dbraw/zinc/73/80/86/656738086.db2.gz 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656748774 /nfs/dbraw/zinc/74/87/74/656748774.db2.gz MDPKNABCNBLCLA-WBVHZDCISA-N 0 3 316.445 3.434 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000981704464 656750691 /nfs/dbraw/zinc/75/06/91/656750691.db2.gz GRYFEWYFXPBWHO-UHFFFAOYSA-N 0 3 320.864 3.383 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115965 656751246 /nfs/dbraw/zinc/75/12/46/656751246.db2.gz YZJGTYKBVRHJQS-ZDUSSCGKSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(F)cccc3Cl)C[C@@H]21 ZINC001042329396 656754384 /nfs/dbraw/zinc/75/43/84/656754384.db2.gz ZKWQNEBXYXZTGA-WFASDCNBSA-N 0 3 322.811 3.202 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC001052738844 656756758 /nfs/dbraw/zinc/75/67/58/656756758.db2.gz LZSJNTGVEMLDPZ-INIZCTEOSA-N 0 3 322.811 3.087 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC001052742910 656757273 /nfs/dbraw/zinc/75/72/73/656757273.db2.gz JSNBIEZVLGAHDG-BZSNNMDCSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC000981753517 656758088 /nfs/dbraw/zinc/75/80/88/656758088.db2.gz FFDQBZKSEZCHGD-UHFFFAOYSA-N 0 3 314.473 3.284 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4ccccc4o3)C[C@@H]21 ZINC001042340269 656758386 /nfs/dbraw/zinc/75/83/86/656758386.db2.gz FZKNRMRDQBJJLN-HOCLYGCPSA-N 0 3 310.397 3.155 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4ccccc4o3)C[C@H]21 ZINC001042340266 656759129 /nfs/dbraw/zinc/75/91/29/656759129.db2.gz FZKNRMRDQBJJLN-GOEBONIOSA-N 0 3 310.397 3.155 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)c3ccccc3)C[C@H]21 ZINC001042343982 656761725 /nfs/dbraw/zinc/76/17/25/656761725.db2.gz QCVLYKWMEBVSRT-SJLPKXTDSA-N 0 3 312.457 3.073 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]21 ZINC001042363901 656765203 /nfs/dbraw/zinc/76/52/03/656765203.db2.gz ZQHWRFJJIYKBTC-QUCCMNQESA-N 0 3 322.452 3.124 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC001052783176 656768522 /nfs/dbraw/zinc/76/85/22/656768522.db2.gz BCPRYSVQQGEBLZ-FQEVSTJZSA-N 0 3 322.452 3.254 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC001052785176 656768644 /nfs/dbraw/zinc/76/86/44/656768644.db2.gz CQPUJVQUJLGODH-HSALFYBXSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2Cl)CC1 ZINC001052862446 656777418 /nfs/dbraw/zinc/77/74/18/656777418.db2.gz PRTNJVQCJQVLNQ-OAHLLOKOSA-N 0 3 318.848 3.174 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC001052860904 656777550 /nfs/dbraw/zinc/77/75/50/656777550.db2.gz ZUKMFNUROJDNRL-HZPDHXFCSA-N 0 3 318.486 3.154 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(C3CCC3)c2)CC1 ZINC001052862499 656777676 /nfs/dbraw/zinc/77/76/76/656777676.db2.gz QEDFPDOBLTUTAR-LJQANCHMSA-N 0 3 310.441 3.172 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2CCC(C3CC3)CC2)CC1 ZINC001052904640 656786772 /nfs/dbraw/zinc/78/67/72/656786772.db2.gz UZWDFBRBEMCJCP-ACBHZAAOSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC001052926182 656792517 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C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028167729 656829762 /nfs/dbraw/zinc/82/97/62/656829762.db2.gz ZCOBVSBQKJXDBG-KRWDZBQOSA-N 0 3 309.413 3.005 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001053081095 656848475 /nfs/dbraw/zinc/84/84/75/656848475.db2.gz UFSMETKQBWBPLT-IAGOWNOFSA-N 0 3 320.452 3.366 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2(C)CC2)C1 ZINC001053092541 656851875 /nfs/dbraw/zinc/85/18/75/656851875.db2.gz HSUFOWIVZRJNMY-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001054048430 656890051 /nfs/dbraw/zinc/89/00/51/656890051.db2.gz BDLPOSUSTBOGST-SFHLNBCPSA-N 0 3 324.468 3.296 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054050315 656893618 /nfs/dbraw/zinc/89/36/18/656893618.db2.gz YGQQCNSBHOTQBI-AYOQOUSVSA-N 0 3 312.457 3.152 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1sccc1C)C2 ZINC001054075194 656903623 /nfs/dbraw/zinc/90/36/23/656903623.db2.gz 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/nfs/dbraw/zinc/30/06/83/1176300683.db2.gz JYKJTZLSILZYOI-KRWDZBQOSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001691157056 1176345239 /nfs/dbraw/zinc/34/52/39/1176345239.db2.gz LWHVEZBHNFASEE-HNNXBMFYSA-N 0 3 304.409 3.120 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001691171109 1176354400 /nfs/dbraw/zinc/35/44/00/1176354400.db2.gz NDCMFVGECHQVGO-MJGOQNOKSA-N 0 3 306.494 3.444 20 30 DGEDHN CCCN(CCNC(=O)C#CC1CC1)Cc1cccc(Cl)c1 ZINC001691180012 1176364113 /nfs/dbraw/zinc/36/41/13/1176364113.db2.gz YKTBUXZASJUQRR-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)c(C)cc1Cl ZINC001691187533 1176369346 /nfs/dbraw/zinc/36/93/46/1176369346.db2.gz LLFQPFDCPNLNKH-UHFFFAOYSA-N 0 3 320.864 3.422 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccccc1C)c1ccccc1 ZINC001691772605 1176375821 /nfs/dbraw/zinc/37/58/21/1176375821.db2.gz NFBPQTGEYVUOAA-LJQANCHMSA-N 0 3 306.409 3.079 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H](CC)C(C)C)C2)CC1 ZINC001691277138 1176421070 /nfs/dbraw/zinc/42/10/70/1176421070.db2.gz PSPYTKFCZVWIJD-ROUUACIJSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1conc1C ZINC001691294201 1176428415 /nfs/dbraw/zinc/42/84/15/1176428415.db2.gz JJGKOMNYBHACCX-WMLDXEAASA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccsc1)c1ccccc1 ZINC001691773246 1176441037 /nfs/dbraw/zinc/44/10/37/1176441037.db2.gz WIEXWLIIMBRMMR-INIZCTEOSA-N 0 3 300.427 3.385 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CC[C@@H]2CC2(Cl)Cl)[C@@H]1C ZINC001692148193 1176460285 /nfs/dbraw/zinc/46/02/85/1176460285.db2.gz CJBBXZVPWLRRBE-UPJWGTAASA-N 0 3 319.276 3.116 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001691395283 1176463242 /nfs/dbraw/zinc/46/32/42/1176463242.db2.gz IDEIRISSJVXTRA-CVEARBPZSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001691391891 1176464882 /nfs/dbraw/zinc/46/48/82/1176464882.db2.gz FUDOKIQLGHYFIT-UONOGXRCSA-N 0 3 322.474 3.258 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001691441922 1176586948 /nfs/dbraw/zinc/58/69/48/1176586948.db2.gz YCXNBGJFYXWLRG-HNNXBMFYSA-N 0 3 306.425 3.284 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001754558064 1176604186 /nfs/dbraw/zinc/60/41/86/1176604186.db2.gz WUUPVRXKMHROLP-VQIMIIECSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(C(F)F)CCC1)c1ccccc1 ZINC001267369935 1176623931 /nfs/dbraw/zinc/62/39/31/1176623931.db2.gz KBFGGSBFAAXVGW-AWEZNQCLSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)OC2CCCCC2)[C@H]1CC ZINC001691477690 1176633886 /nfs/dbraw/zinc/63/38/86/1176633886.db2.gz ABKMOBDOHMSPSF-RCCFBDPRSA-N 0 3 322.493 3.269 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)SC)c1ccc(C(C)C)cc1 ZINC001691766480 1176781156 /nfs/dbraw/zinc/78/11/56/1176781156.db2.gz AUBWDKCAWLEGLH-YOEHRIQHSA-N 0 3 320.502 3.494 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001672509750 1176807501 /nfs/dbraw/zinc/80/75/01/1176807501.db2.gz QGVGQFAOTILCAA-KZNAEPCWSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC001691791358 1176812050 /nfs/dbraw/zinc/81/20/50/1176812050.db2.gz DRIPFEFWWXIOCQ-OKYOBFRVSA-N 0 3 312.457 3.446 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NC/C=C/c3ccccc3)CC2)C1 ZINC001670850452 1177228934 /nfs/dbraw/zinc/22/89/34/1177228934.db2.gz JHZCEDGVLQCLJM-RMKNXTFCSA-N 0 3 310.441 3.295 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCC)C[C@@H]2C1 ZINC001691575881 1177317576 /nfs/dbraw/zinc/31/75/76/1177317576.db2.gz HWCXLAUNXJXHQA-ZIFCJYIRSA-N 0 3 304.478 3.006 20 30 DGEDHN CC(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2Cl)C1 ZINC001691609476 1177325096 /nfs/dbraw/zinc/32/50/96/1177325096.db2.gz HPZBQKKGDBUALI-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@H](NCc2ccccn2)C1 ZINC001691628768 1177352634 /nfs/dbraw/zinc/35/26/34/1177352634.db2.gz BUMMRHLQIQEEKW-SFHVURJKSA-N 0 3 315.461 3.299 20 30 DGEDHN C#CCC1(C(=O)N(C)CCNCc2ccsc2)CCCCC1 ZINC001691630778 1177357850 /nfs/dbraw/zinc/35/78/50/1177357850.db2.gz GHHOWXVNUDBHLS-UHFFFAOYSA-N 0 3 318.486 3.270 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001671039397 1177577923 /nfs/dbraw/zinc/57/79/23/1177577923.db2.gz MZQYSXCJNPPWGR-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001185767844 1177824447 /nfs/dbraw/zinc/82/44/47/1177824447.db2.gz NDVUAEYVHLFFKU-VAMGGRTRSA-N 0 3 324.468 3.174 20 30 DGEDHN C/C=C(\C)C(=O)NCCCN(Cc1ccccc1C#N)C(C)C ZINC001691707006 1177849386 /nfs/dbraw/zinc/84/93/86/1177849386.db2.gz DNWRAHAWPOBCKJ-FZSIALSZSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C1CCC(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001687541378 1177874210 /nfs/dbraw/zinc/87/42/10/1177874210.db2.gz LEBFKPRDIJQHHX-UHFFFAOYSA-N 0 3 321.509 3.496 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc2c1CCC2 ZINC001330988827 1178106054 /nfs/dbraw/zinc/10/60/54/1178106054.db2.gz BMZZKZOXQQXGJV-CQSZACIVSA-N 0 3 320.864 3.416 20 30 DGEDHN CCC(CC)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001331388678 1178200764 /nfs/dbraw/zinc/20/07/64/1178200764.db2.gz NRVXKUAWKVVOGI-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001331597973 1178255907 /nfs/dbraw/zinc/25/59/07/1178255907.db2.gz UMLZZVBNKCMHCD-KGLIPLIRSA-N 0 3 321.490 3.383 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@](O)(c2ccccc2)C1 ZINC001331660194 1178267707 /nfs/dbraw/zinc/26/77/07/1178267707.db2.gz ZCUXUSWETPRACK-FQEVSTJZSA-N 0 3 322.408 3.050 20 30 DGEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CC(C)(C)C ZINC001331955747 1178319456 /nfs/dbraw/zinc/31/94/56/1178319456.db2.gz YNOIKQMTNRBGHT-WMZOPIPTSA-N 0 3 312.457 3.053 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC001332115766 1178362368 /nfs/dbraw/zinc/36/23/68/1178362368.db2.gz FWQVFTLZEXLFCB-YFVAEKQCSA-N 0 3 324.468 3.317 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@@H]1C ZINC001332175857 1178381150 /nfs/dbraw/zinc/38/11/50/1178381150.db2.gz KGZLCEIMPCCEIC-MJGOQNOKSA-N 0 3 312.457 3.268 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cccnc2C)C(C)(C)C1 ZINC001332388965 1178432855 /nfs/dbraw/zinc/43/28/55/1178432855.db2.gz SWKVKMUDEOAQCP-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(Cl)ccc1F)C(C)C ZINC001332720107 1178481192 /nfs/dbraw/zinc/48/11/92/1178481192.db2.gz LLALSMHWBCIWLH-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C#CCCCC(=O)N(C)C1CC(NCc2ccccc2Cl)C1 ZINC001333057211 1178547450 /nfs/dbraw/zinc/54/74/50/1178547450.db2.gz OFIGHSMPVPEZAO-UHFFFAOYSA-N 0 3 318.848 3.223 20 30 DGEDHN C[C@@H](NCCN1c2ccccc2CC[C@H]1C)c1cc(C#N)ccn1 ZINC001333149630 1178563689 /nfs/dbraw/zinc/56/36/89/1178563689.db2.gz LHISRZMIXJVKEN-HZPDHXFCSA-N 0 3 320.440 3.445 20 30 DGEDHN O[C@]1(CNCC#Cc2ccccc2)CCC[C@H](C(F)(F)F)C1 ZINC001333716676 1178658558 /nfs/dbraw/zinc/65/85/58/1178658558.db2.gz FVAXJIUPFCVOSO-JKSUJKDBSA-N 0 3 311.347 3.111 20 30 DGEDHN CC(C)Oc1ccc([C@H](O)CNCC#Cc2ccccc2)cc1 ZINC001335466775 1178914977 /nfs/dbraw/zinc/91/49/77/1178914977.db2.gz QRXXKHIUAPGCLP-HXUWFJFHSA-N 0 3 309.409 3.149 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@H]2CCCCN2CCC)cc1 ZINC001341426844 1179005932 /nfs/dbraw/zinc/00/59/32/1179005932.db2.gz KNSCJOKUBBIRLJ-GOSISDBHSA-N 0 3 316.445 3.132 20 30 DGEDHN Cc1cccc(NC[C@@H]2CCCN2Cc2cc(C#N)cs2)n1 ZINC001341567151 1179029570 /nfs/dbraw/zinc/02/95/70/1179029570.db2.gz CUPYGHKDONPUEB-HNNXBMFYSA-N 0 3 312.442 3.400 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001342163110 1179111787 /nfs/dbraw/zinc/11/17/87/1179111787.db2.gz KUFKLBCXMYQIPG-ZIAGYGMSSA-N 0 3 310.344 3.095 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCSc1ccc(Cl)cc1 ZINC001342274828 1179125661 /nfs/dbraw/zinc/12/56/61/1179125661.db2.gz AQDPNHUSGYHOGY-ZDUSSCGKSA-N 0 3 319.817 3.432 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)CCC(C)C ZINC001342354187 1179133730 /nfs/dbraw/zinc/13/37/30/1179133730.db2.gz FWPHZKNTSNYVTG-INIZCTEOSA-N 0 3 319.497 3.146 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NC1(c2ncccn2)CCC1 ZINC001342377718 1179135678 /nfs/dbraw/zinc/13/56/78/1179135678.db2.gz RTHLCLSEVSPFDS-HNNXBMFYSA-N 0 3 318.465 3.050 20 30 DGEDHN C=C[C@H](CC)CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC001343507669 1179287828 /nfs/dbraw/zinc/28/78/28/1179287828.db2.gz AAESYLYFQQEEBX-ZIAGYGMSSA-N 0 3 314.385 3.335 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN([C@@H]3CCc4c3cccc4F)C2)nc1 ZINC001343789989 1179332448 /nfs/dbraw/zinc/33/24/48/1179332448.db2.gz LYNNQSOVKDGPPM-RDTXWAMCSA-N 0 3 323.371 3.233 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NC1CC2(CC2(F)F)C1 ZINC001344045056 1179369766 /nfs/dbraw/zinc/36/97/66/1179369766.db2.gz YCZTYHWYVPQALG-OWYJLGKBSA-N 0 3 302.409 3.368 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccc(F)cn1 ZINC001479820223 1179464532 /nfs/dbraw/zinc/46/45/32/1179464532.db2.gz KIVYJZMQWYAQQO-RHSMWYFYSA-N 0 3 319.424 3.046 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001344865125 1179488679 /nfs/dbraw/zinc/48/86/79/1179488679.db2.gz ZVGLFKDCSPWNFI-ZDUSSCGKSA-N 0 3 311.389 3.164 20 30 DGEDHN C[C@@H]1[C@@H](OC(=O)c2ccc(C#N)[nH]2)CCCN1Cc1ccccc1 ZINC001345776081 1179604657 /nfs/dbraw/zinc/60/46/57/1179604657.db2.gz MRLIGFQKWLBZPQ-KDOFPFPSSA-N 0 3 323.396 3.096 20 30 DGEDHN CN1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001345921689 1179623084 /nfs/dbraw/zinc/62/30/84/1179623084.db2.gz SIDVWNSTJQXJAC-OAHLLOKOSA-N 0 3 312.417 3.041 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001346096432 1179652511 /nfs/dbraw/zinc/65/25/11/1179652511.db2.gz QFOXYNGXAFQNPU-DTWKUNHWSA-N 0 3 301.724 3.075 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cn(C)nc1C(F)F ZINC001346656820 1179731031 /nfs/dbraw/zinc/73/10/31/1179731031.db2.gz GRVWYSDZPKDZBY-LLVKDONJSA-N 0 3 316.396 3.374 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1ccc(C)c(C)c1 ZINC001347338168 1179797479 /nfs/dbraw/zinc/79/74/79/1179797479.db2.gz PSFDYXKMMBHBQX-MRXNPFEDSA-N 0 3 311.385 3.165 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001602808342 1192998201 /nfs/dbraw/zinc/99/82/01/1192998201.db2.gz BIIRPYBHNIEVQS-NSHDSACASA-N 0 3 303.385 3.259 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001602808342 1192998202 /nfs/dbraw/zinc/99/82/02/1192998202.db2.gz BIIRPYBHNIEVQS-NSHDSACASA-N 0 3 303.385 3.259 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602825478 1192998792 /nfs/dbraw/zinc/99/87/92/1192998792.db2.gz XOOAIFLLGMGCNQ-XJKSGUPXSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602825478 1192998794 /nfs/dbraw/zinc/99/87/94/1192998794.db2.gz XOOAIFLLGMGCNQ-XJKSGUPXSA-N 0 3 315.396 3.230 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001350314170 1180051074 /nfs/dbraw/zinc/05/10/74/1180051074.db2.gz NETPNSRKKWDDLQ-HNNXBMFYSA-N 0 3 310.507 3.067 20 30 DGEDHN N#Cc1cncc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC001351174815 1180182540 /nfs/dbraw/zinc/18/25/40/1180182540.db2.gz AEBCFPVPOIYEBL-DNVCBOLYSA-N 0 3 307.397 3.211 20 30 DGEDHN CC(C)[C@@H](NC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 ZINC001351172157 1180182626 /nfs/dbraw/zinc/18/26/26/1180182626.db2.gz GOJMVJMUMOJFAZ-ZIAGYGMSSA-N 0 3 300.324 3.267 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C)c(F)c2)C1 ZINC001480247192 1180320702 /nfs/dbraw/zinc/32/07/02/1180320702.db2.gz PXHZBMLZDHORFY-KRWDZBQOSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100373876 1180624656 /nfs/dbraw/zinc/62/46/56/1180624656.db2.gz MNSSKNRVPHRNGQ-UHFFFAOYSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC001354370230 1180779376 /nfs/dbraw/zinc/77/93/76/1180779376.db2.gz PECZEHPCIVODHP-GOSISDBHSA-N 0 3 313.445 3.226 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100596951 1180836822 /nfs/dbraw/zinc/83/68/22/1180836822.db2.gz KJYKXCKCTSIDFI-PNESKVBLSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCCN(C)C2)n1CC ZINC001356456678 1181197139 /nfs/dbraw/zinc/19/71/39/1181197139.db2.gz OBXAFPUVZAOZKW-CVEARBPZSA-N 0 3 317.481 3.042 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1C1CCOCC1 ZINC001357587388 1181411425 /nfs/dbraw/zinc/41/14/25/1181411425.db2.gz ITGDRFXNHVBGNI-ROUUACIJSA-N 0 3 324.509 3.482 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1cccc(F)n1 ZINC001357689038 1181418818 /nfs/dbraw/zinc/41/88/18/1181418818.db2.gz IZARMFJWZXLXCA-IUCAKERBSA-N 0 3 301.148 3.371 20 30 DGEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)CC(C)(C)C ZINC001496005330 1181749331 /nfs/dbraw/zinc/74/93/31/1181749331.db2.gz QNUXISXWXZZUGF-OAHLLOKOSA-N 0 3 318.436 3.050 20 30 DGEDHN CCCCCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC001459347906 1182581537 /nfs/dbraw/zinc/58/15/37/1182581537.db2.gz PEXNKOSQOXYLCJ-UHFFFAOYSA-N 0 3 300.450 3.436 20 30 DGEDHN CCOC(=O)/C=C\CN(Cc1ccc(C#N)cc1)CC(C)C ZINC001459381523 1182583565 /nfs/dbraw/zinc/58/35/65/1182583565.db2.gz NWBNVUPSJPYOCI-WAYWQWQTSA-N 0 3 300.402 3.136 20 30 DGEDHN C#CCCCCCCN1CCN(c2cccc(OCC)n2)CC1 ZINC001459452629 1182588147 /nfs/dbraw/zinc/58/81/47/1182588147.db2.gz AENDEZDIMCTWEB-UHFFFAOYSA-N 0 3 315.461 3.186 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001459808580 1182618287 /nfs/dbraw/zinc/61/82/87/1182618287.db2.gz LLEAYCWOKHXROI-MZMPZRCHSA-N 0 3 319.424 3.309 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2ccc(O)cc2)CC1 ZINC001460659709 1182704665 /nfs/dbraw/zinc/70/46/65/1182704665.db2.gz JRKKZOIENANBBL-UHFFFAOYSA-N 0 3 300.446 3.094 20 30 DGEDHN C[C@H]1CCC[C@H](CCN2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001460745585 1182717269 /nfs/dbraw/zinc/71/72/69/1182717269.db2.gz RKVDCXHIQSKWBQ-DLBZAZTESA-N 0 3 312.461 3.292 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(Cl)cc1F ZINC001460803528 1182724182 /nfs/dbraw/zinc/72/41/82/1182724182.db2.gz VKPRCWFUZPCUIH-CVEARBPZSA-N 0 3 322.811 3.142 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(Cl)cc1F ZINC001460803532 1182724630 /nfs/dbraw/zinc/72/46/30/1182724630.db2.gz VKPRCWFUZPCUIH-HZPDHXFCSA-N 0 3 322.811 3.142 20 30 DGEDHN CCc1ccc2c(c1)CCN(C[C@H](O)c1ccc(C#N)cc1)C2 ZINC001460970231 1182747773 /nfs/dbraw/zinc/74/77/73/1182747773.db2.gz DTUHXTFYMSYOBQ-FQEVSTJZSA-N 0 3 306.409 3.212 20 30 DGEDHN C#Cc1cccc(CNCc2cn(C)nc2-c2cccs2)c1 ZINC001461581144 1182831476 /nfs/dbraw/zinc/83/14/76/1182831476.db2.gz LHPDTAFMQHNBMO-UHFFFAOYSA-N 0 3 307.422 3.420 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1coc2cc(C)ccc12 ZINC001467725586 1183284414 /nfs/dbraw/zinc/28/44/14/1183284414.db2.gz SPSFECUANKVAFJ-UHFFFAOYSA-N 0 3 314.429 3.250 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C2CCCCCC2)CC1 ZINC001468647666 1183348786 /nfs/dbraw/zinc/34/87/86/1183348786.db2.gz RTFRWBICJFCWKQ-HNNXBMFYSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001469868213 1183443600 /nfs/dbraw/zinc/44/36/00/1183443600.db2.gz OYEAUUKGBPMRDZ-GOSISDBHSA-N 0 3 315.461 3.225 20 30 DGEDHN CCN(Cc1cc(C#N)ccn1)[C@H](COC)Cc1ccccc1 ZINC001473214479 1183730763 /nfs/dbraw/zinc/73/07/63/1183730763.db2.gz YNZBAJYHPRLPFV-IBGZPJMESA-N 0 3 309.413 3.033 20 30 DGEDHN CC1(C)[C@@H](NCc2cc(C#N)ccn2)C[C@@H]1OCc1ccccc1 ZINC001473483766 1183762779 /nfs/dbraw/zinc/76/27/79/1183762779.db2.gz PEMMIEAADMKHRH-OALUTQOASA-N 0 3 321.424 3.427 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@]1(C)c1ccccc1 ZINC001473754561 1183798033 /nfs/dbraw/zinc/79/80/33/1183798033.db2.gz JXJLEIBVULASPD-APWZRJJASA-N 0 3 313.445 3.006 20 30 DGEDHN COC(=O)Nc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC001473933596 1183831236 /nfs/dbraw/zinc/83/12/36/1183831236.db2.gz LDJJGMWDMDWUJE-UHFFFAOYSA-N 0 3 309.369 3.335 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC001477287077 1184078519 /nfs/dbraw/zinc/07/85/19/1184078519.db2.gz FVEZJHOPQMMMEH-CQSZACIVSA-N 0 3 309.479 3.395 20 30 DGEDHN C#CCN(C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CCCCC1 ZINC001478584826 1184162512 /nfs/dbraw/zinc/16/25/12/1184162512.db2.gz PZTRSIHXMTUSPJ-QGZVFWFLSA-N 0 3 319.493 3.084 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)c1ccccc1 ZINC001479270991 1184224722 /nfs/dbraw/zinc/22/47/22/1184224722.db2.gz QONBMNIDOSJCAG-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001479390488 1184243930 /nfs/dbraw/zinc/24/39/30/1184243930.db2.gz SDQQUMHGUBOFPJ-QBBHLEBFSA-N 0 3 322.452 3.045 20 30 DGEDHN CCCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001479628617 1184278872 /nfs/dbraw/zinc/27/88/72/1184278872.db2.gz DZPMIACHJHOIKF-ZWKOTPCHSA-N 0 3 313.445 3.218 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCN(C)Cc1ccc(C)nc1C ZINC001479794684 1184327807 /nfs/dbraw/zinc/32/78/07/1184327807.db2.gz SKYHUTBDQLAYIZ-IBGZPJMESA-N 0 3 317.477 3.239 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001479810253 1184333615 /nfs/dbraw/zinc/33/36/15/1184333615.db2.gz SQLXNACHGFLXOC-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cnoc1C ZINC001479827071 1184340475 /nfs/dbraw/zinc/34/04/75/1184340475.db2.gz WANOWRAWMYVFSZ-PBHICJAKSA-N 0 3 319.449 3.199 20 30 DGEDHN CC#CCN(CCCNC(=O)c1scc(C)c1Cl)C1CC1 ZINC001479869729 1184358623 /nfs/dbraw/zinc/35/86/23/1184358623.db2.gz HIUYSDUGQYOFBB-UHFFFAOYSA-N 0 3 324.877 3.318 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(Cl)cc1C)C1CC1 ZINC001479874810 1184359488 /nfs/dbraw/zinc/35/94/88/1184359488.db2.gz DGZANGMPEIXXJB-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001479909396 1184376355 /nfs/dbraw/zinc/37/63/55/1184376355.db2.gz WNCOTBGTIGNGKN-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2scnc2C)C1 ZINC001479946407 1184384929 /nfs/dbraw/zinc/38/49/29/1184384929.db2.gz MLKGUSVEJXPACL-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCN(CCCCCF)C2)CCCCC1 ZINC001479972574 1184400724 /nfs/dbraw/zinc/40/07/24/1184400724.db2.gz VNAAJGNZOSIINC-QGZVFWFLSA-N 0 3 322.468 3.291 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001479987111 1184403360 /nfs/dbraw/zinc/40/33/60/1184403360.db2.gz CHMFAXVQTWZKMN-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001479986133 1184403408 /nfs/dbraw/zinc/40/34/08/1184403408.db2.gz FBMMOIQBTWANQZ-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC001479987221 1184403651 /nfs/dbraw/zinc/40/36/51/1184403651.db2.gz WVRUXYRXGIJBEB-OALUTQOASA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001479991142 1184406273 /nfs/dbraw/zinc/40/62/73/1184406273.db2.gz ZQZOUDAZGITJBE-UHFFFAOYSA-N 0 3 309.841 3.171 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCC=C(Cl)Cl)C2CC2)C1 ZINC001480044516 1184416863 /nfs/dbraw/zinc/41/68/63/1184416863.db2.gz PAWPKPMJNPMBLI-LBPRGKRZSA-N 0 3 317.260 3.146 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001480221098 1184463031 /nfs/dbraw/zinc/46/30/31/1184463031.db2.gz XELROJYBTZVWGG-OIISXLGYSA-N 0 3 318.436 3.473 20 30 DGEDHN CC(C)CCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001480223865 1184463771 /nfs/dbraw/zinc/46/37/71/1184463771.db2.gz LQVKTWJRIZYYQV-KDURUIRLSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001480240486 1184467677 /nfs/dbraw/zinc/46/76/77/1184467677.db2.gz WFJWOJMGTNMVIA-QLFBSQMISA-N 0 3 300.874 3.438 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(Cc2cccnc2C)C1 ZINC001480252696 1184471249 /nfs/dbraw/zinc/47/12/49/1184471249.db2.gz AXXNEVXEDHLHIX-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccccc1CC ZINC001480320422 1184492067 /nfs/dbraw/zinc/49/20/67/1184492067.db2.gz VAJNGWCKUHSFAT-LJQANCHMSA-N 0 3 314.473 3.338 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001480408170 1184524280 /nfs/dbraw/zinc/52/42/80/1184524280.db2.gz NWWGEBYWJHWWGR-JTTJXQCZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1cc(C)ccc1OC ZINC001480542117 1184545924 /nfs/dbraw/zinc/54/59/24/1184545924.db2.gz BPXKFQFFNOGRCL-HNNXBMFYSA-N 0 3 318.461 3.200 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(C2CC2)c1 ZINC001480811865 1184614104 /nfs/dbraw/zinc/61/41/04/1184614104.db2.gz GXYCYOPMRRQGDG-ZDUSSCGKSA-N 0 3 306.837 3.415 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccccc1 ZINC001480815241 1184616269 /nfs/dbraw/zinc/61/62/69/1184616269.db2.gz SKEJQEAAKUHGGF-MRXNPFEDSA-N 0 3 306.837 3.414 20 30 DGEDHN C/C=C(\C)C(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001480821381 1184619473 /nfs/dbraw/zinc/61/94/73/1184619473.db2.gz WUAJWBCCBPMHQF-RGTKQAGQSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1(C)CC(=C)C1 ZINC001480830354 1184624074 /nfs/dbraw/zinc/62/40/74/1184624074.db2.gz JWHLSDRFXLRBNU-HNNXBMFYSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCN(CC)CCNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001492997593 1184631143 /nfs/dbraw/zinc/63/11/43/1184631143.db2.gz HHMDXBGVLGNQDR-UHFFFAOYSA-N 0 3 300.446 3.041 20 30 DGEDHN CC(C)c1ccc(CN2CCC[C@H]2CNC(=O)[C@@H](C)C#N)cc1 ZINC001493087882 1184645447 /nfs/dbraw/zinc/64/54/47/1184645447.db2.gz RUUYKQDIUBMCIR-YJBOKZPZSA-N 0 3 313.445 3.050 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001493256977 1184676017 /nfs/dbraw/zinc/67/60/17/1184676017.db2.gz FREWYQXMJFMASF-PKOBYXMFSA-N 0 3 312.457 3.032 20 30 DGEDHN CN(CCNCc1ccc(F)c(Cl)c1)C(=O)C#CC(C)(C)C ZINC001493543215 1184717110 /nfs/dbraw/zinc/71/71/10/1184717110.db2.gz ALINIIHPNSJEOZ-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001493823125 1184743429 /nfs/dbraw/zinc/74/34/29/1184743429.db2.gz YOVPWKQEODAPSG-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(C)CC1)c1ccc(C(C)C)cc1 ZINC001493879310 1184756820 /nfs/dbraw/zinc/75/68/20/1184756820.db2.gz WZAGIOKNZACXNK-SFHVURJKSA-N 0 3 312.457 3.380 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccc1 ZINC001493888430 1184758414 /nfs/dbraw/zinc/75/84/14/1184758414.db2.gz HEGSNUNEXXRURD-BWPNAZKDSA-N 0 3 322.452 3.059 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cnccc1C)c1ccccc1 ZINC001493887618 1184758847 /nfs/dbraw/zinc/75/88/47/1184758847.db2.gz SOAJUUBQJQZAPU-GOSISDBHSA-N 0 3 309.413 3.027 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc(C)sn1)c1ccccc1 ZINC001493888943 1184759315 /nfs/dbraw/zinc/75/93/15/1184759315.db2.gz IQQFHYBTAMCGIT-MRXNPFEDSA-N 0 3 315.442 3.088 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@@H](C)SC)c1ccccc1 ZINC001493890145 1184759534 /nfs/dbraw/zinc/75/95/34/1184759534.db2.gz RQDFPVOCGIFPSL-ZBFHGGJFSA-N 0 3 306.475 3.151 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc(C)sn1)c1ccccc1 ZINC001493888942 1184759751 /nfs/dbraw/zinc/75/97/51/1184759751.db2.gz IQQFHYBTAMCGIT-INIZCTEOSA-N 0 3 315.442 3.088 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC001493895466 1184761377 /nfs/dbraw/zinc/76/13/77/1184761377.db2.gz FWYBOLAXARDFLO-SFHVURJKSA-N 0 3 322.408 3.241 20 30 DGEDHN C[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001494271097 1184842323 /nfs/dbraw/zinc/84/23/23/1184842323.db2.gz GGMJUXUIFHEGOA-SJLPKXTDSA-N 0 3 312.457 3.378 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001494696740 1184907849 /nfs/dbraw/zinc/90/78/49/1184907849.db2.gz TZCJSMWQVHSHIG-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001494819690 1184933991 /nfs/dbraw/zinc/93/39/91/1184933991.db2.gz OTHFJRJIKQZULD-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001494878279 1184952811 /nfs/dbraw/zinc/95/28/11/1184952811.db2.gz YIOUMIWOJWOFNK-UXHICEINSA-N 0 3 324.468 3.292 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001494948309 1184968954 /nfs/dbraw/zinc/96/89/54/1184968954.db2.gz BUKDSBKXTNGJEH-MJGOQNOKSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CCC1(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CCCC1 ZINC001609053882 1193322423 /nfs/dbraw/zinc/32/24/23/1193322423.db2.gz SKYPBQUWAJLUEB-UHFFFAOYSA-N 0 3 303.435 3.154 20 30 DGEDHN C=CCC1(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CCCC1 ZINC001609053882 1193322427 /nfs/dbraw/zinc/32/24/27/1193322427.db2.gz SKYPBQUWAJLUEB-UHFFFAOYSA-N 0 3 303.435 3.154 20 30 DGEDHN C=C(C)CCC(=O)N[C@@](C)(CNCc1ncccc1C)C1CC1 ZINC001495255909 1185019331 /nfs/dbraw/zinc/01/93/31/1185019331.db2.gz XFAQGAIKLUHJRM-IBGZPJMESA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cc[nH]c2)CCCC[C@H]1C ZINC001495318712 1185028485 /nfs/dbraw/zinc/02/84/85/1185028485.db2.gz OBBDTRNNGXAPIS-MLGOLLRUSA-N 0 3 309.841 3.036 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cc[nH]c2)CCCC[C@@H]1C ZINC001495318710 1185028772 /nfs/dbraw/zinc/02/87/72/1185028772.db2.gz OBBDTRNNGXAPIS-BLLLJJGKSA-N 0 3 309.841 3.036 20 30 DGEDHN C#CCCCC(=O)N[C@]1(CNCC(=C)Cl)CCCC[C@@H]1C ZINC001495321934 1185030187 /nfs/dbraw/zinc/03/01/87/1185030187.db2.gz CUIJGKOPHUAVEA-YOEHRIQHSA-N 0 3 310.869 3.197 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccccc2CCC)cc1 ZINC001495490860 1185063707 /nfs/dbraw/zinc/06/37/07/1185063707.db2.gz WBBFPKBECGQKBO-UHFFFAOYSA-N 0 3 320.436 3.292 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C23CCC(CC2)C3)CCCC1 ZINC001495923221 1185114066 /nfs/dbraw/zinc/11/40/66/1185114066.db2.gz CTKVFHUXXDLJBS-UHFFFAOYSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001495938705 1185115730 /nfs/dbraw/zinc/11/57/30/1185115730.db2.gz JOXBVXUHCRXDHI-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C1(C)CCCC1 ZINC001496124963 1185136994 /nfs/dbraw/zinc/13/69/94/1185136994.db2.gz ICAGJQFWGFONDC-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001496259077 1185156103 /nfs/dbraw/zinc/15/61/03/1185156103.db2.gz ZRMHKVGSFIHNLE-CQSZACIVSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC(F)(F)F ZINC001496389620 1185179933 /nfs/dbraw/zinc/17/99/33/1185179933.db2.gz QWVDLKFJUSLRRQ-NSHDSACASA-N 0 3 312.763 3.052 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cocc1C ZINC001496403082 1185181719 /nfs/dbraw/zinc/18/17/19/1185181719.db2.gz GHCHHYZNOLVUET-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C)c(F)c1)C(C)C ZINC001496577130 1185214542 /nfs/dbraw/zinc/21/45/42/1185214542.db2.gz AKLYSYYUUVDCGL-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCN[C@@H](C)c1nc2ccccc2o1 ZINC001497156290 1185288509 /nfs/dbraw/zinc/28/85/09/1185288509.db2.gz UAWMBOPFZFUBCB-KGLIPLIRSA-N 0 3 315.417 3.339 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2cc(F)ccc2F)C1 ZINC001497261865 1185305159 /nfs/dbraw/zinc/30/51/59/1185305159.db2.gz BJENNYGQMCRBPX-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2cc(F)ccc2F)C1 ZINC001497261863 1185305574 /nfs/dbraw/zinc/30/55/74/1185305574.db2.gz BJENNYGQMCRBPX-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(F)c2occc21 ZINC001497335274 1185317603 /nfs/dbraw/zinc/31/76/03/1185317603.db2.gz YFETYJDOCWBFSK-LLVKDONJSA-N 0 3 324.783 3.422 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)/C=C/C(C)(C)C ZINC001497361226 1185321957 /nfs/dbraw/zinc/32/19/57/1185321957.db2.gz AQKQTJYVBVFPJQ-MDZDMXLPSA-N 0 3 313.445 3.099 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001497423101 1185330303 /nfs/dbraw/zinc/33/03/03/1185330303.db2.gz FXGFVLSCGYTGBD-RBUKOAKNSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C1CCC(C(=O)N(CC)CCNCc2cnccc2C)CC1 ZINC001497446866 1185334085 /nfs/dbraw/zinc/33/40/85/1185334085.db2.gz BNHPWZLBIRCQEV-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN CCCC(C)(C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001497447959 1185334134 /nfs/dbraw/zinc/33/41/34/1185334134.db2.gz RQJBYEMTHDZMIY-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001497463070 1185337169 /nfs/dbraw/zinc/33/71/69/1185337169.db2.gz GHORCZJTHWMYOX-LJQANCHMSA-N 0 3 314.473 3.025 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001497463069 1185337282 /nfs/dbraw/zinc/33/72/82/1185337282.db2.gz GHORCZJTHWMYOX-IBGZPJMESA-N 0 3 314.473 3.025 20 30 DGEDHN CC(C)=C(C)CC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001497650562 1185370267 /nfs/dbraw/zinc/37/02/67/1185370267.db2.gz MCXRSZOIZPPLRH-SNAWJCMRSA-N 0 3 311.429 3.067 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C\CNCc2ccc(F)cc2)CC1 ZINC001497676081 1185374707 /nfs/dbraw/zinc/37/47/07/1185374707.db2.gz WXXKIHSOIJHTDY-IHWYPQMZSA-N 0 3 316.420 3.334 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001497921064 1185409940 /nfs/dbraw/zinc/40/99/40/1185409940.db2.gz BZEDKJSLNWGZJY-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2ccccc2F)CC1 ZINC001498107747 1185436933 /nfs/dbraw/zinc/43/69/33/1185436933.db2.gz AQQPVPQOZJKOES-AWEZNQCLSA-N 0 3 304.409 3.166 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1)CC ZINC001498254745 1185457783 /nfs/dbraw/zinc/45/77/83/1185457783.db2.gz LJROSHWIJDOWGD-OAHLLOKOSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001498656455 1185529381 /nfs/dbraw/zinc/52/93/81/1185529381.db2.gz XMIDTANXWIEJOA-OAHLLOKOSA-N 0 3 322.880 3.364 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001498798905 1185548136 /nfs/dbraw/zinc/54/81/36/1185548136.db2.gz HZPSDZTVTVFTRG-KRWDZBQOSA-N 0 3 318.436 3.412 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001498920428 1185571209 /nfs/dbraw/zinc/57/12/09/1185571209.db2.gz LOYJREFEFSDTEU-QGZVFWFLSA-N 0 3 303.450 3.165 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001498985056 1185584604 /nfs/dbraw/zinc/58/46/04/1185584604.db2.gz CJDYPNPJWWZKKH-SFHVURJKSA-N 0 3 317.477 3.473 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001498985265 1185586715 /nfs/dbraw/zinc/58/67/15/1185586715.db2.gz FVFSJHZECKEWQX-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001499013416 1185592882 /nfs/dbraw/zinc/59/28/82/1185592882.db2.gz SQZQVBQXZWQORD-HZPDHXFCSA-N 0 3 315.461 3.364 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001499055528 1185600562 /nfs/dbraw/zinc/60/05/62/1185600562.db2.gz GFOIYPPSGUSHPK-AEFFLSMTSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001499132412 1185615962 /nfs/dbraw/zinc/61/59/62/1185615962.db2.gz QKKNJGQIGHOPKV-MSOLQXFVSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001499124741 1185616882 /nfs/dbraw/zinc/61/68/82/1185616882.db2.gz PNGKWXVRTJZVQS-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001499132414 1185616962 /nfs/dbraw/zinc/61/69/62/1185616962.db2.gz QKKNJGQIGHOPKV-ROUUACIJSA-N 0 3 318.436 3.476 20 30 DGEDHN CCC(CC)CC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001499403401 1185646432 /nfs/dbraw/zinc/64/64/32/1185646432.db2.gz UCUAWSZBTJNSAV-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H](c2ccccc2)C(C)C)CC1 ZINC001499415885 1185648263 /nfs/dbraw/zinc/64/82/63/1185648263.db2.gz CKIAIWJPKUCONK-SFHVURJKSA-N 0 3 312.457 3.078 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C/Cl)C1 ZINC001499480082 1185655072 /nfs/dbraw/zinc/65/50/72/1185655072.db2.gz CDXYERHSOBOJAL-JHCSKLMMSA-N 0 3 310.869 3.408 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001499481107 1185657090 /nfs/dbraw/zinc/65/70/90/1185657090.db2.gz MBFXSIWEFXMXQU-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCCC)CC1 ZINC001499511735 1185660681 /nfs/dbraw/zinc/66/06/81/1185660681.db2.gz VHKMMIRPPZRDTA-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCC1(C(=O)N2CCC3(C2)CCN(CC#CC)CC3)CCC1 ZINC001499584437 1185672174 /nfs/dbraw/zinc/67/21/74/1185672174.db2.gz BBCICWUPGMSUGO-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCc1cnc(C)s1 ZINC001499929859 1185718647 /nfs/dbraw/zinc/71/86/47/1185718647.db2.gz NECHWOSQRGCDSK-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN(C(=O)CCC1CC1)C1CCN(Cc2ccccc2)CC1 ZINC001500032700 1185733143 /nfs/dbraw/zinc/73/31/43/1185733143.db2.gz JBNPWKSJYNYIIP-UHFFFAOYSA-N 0 3 324.468 3.303 20 30 DGEDHN C#CCN(C(=O)C1(CCF)CC1)C1CCN(CC=C(C)C)CC1 ZINC001500043381 1185733310 /nfs/dbraw/zinc/73/33/10/1185733310.db2.gz KQUNODGJBWDHOC-UHFFFAOYSA-N 0 3 320.452 3.019 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001500265414 1185765928 /nfs/dbraw/zinc/76/59/28/1185765928.db2.gz RCNIYQPPWBIMBX-APWZRJJASA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001500263249 1185766139 /nfs/dbraw/zinc/76/61/39/1185766139.db2.gz AQCLEVZHRBLKJI-KSSFIOAISA-N 0 3 320.864 3.285 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001500472168 1185798519 /nfs/dbraw/zinc/79/85/19/1185798519.db2.gz MYBTVXDPZSPJLU-IBGZPJMESA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001500538040 1185818379 /nfs/dbraw/zinc/81/83/79/1185818379.db2.gz NZRQPKCKXKONJJ-DYXWJJEUSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001500555925 1185823146 /nfs/dbraw/zinc/82/31/46/1185823146.db2.gz PVUUSYWHFBRUHS-KRWDZBQOSA-N 0 3 321.490 3.284 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC1(C)CC1)c1ccccc1CC ZINC001501021964 1185857794 /nfs/dbraw/zinc/85/77/94/1185857794.db2.gz LKKXQAXESDSQOK-GOSISDBHSA-N 0 3 312.457 3.209 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2ncc(C)s2)C1 ZINC001501050482 1185861674 /nfs/dbraw/zinc/86/16/74/1185861674.db2.gz KJLDHLBKRBKAPM-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(C)(CC)CC ZINC001501200342 1185882174 /nfs/dbraw/zinc/88/21/74/1185882174.db2.gz ZVGZGBUHSXRHOI-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN CCCCC(=O)N1CC[C@H](CCNCc2ccccc2C#N)C1 ZINC001501535138 1185906502 /nfs/dbraw/zinc/90/65/02/1185906502.db2.gz YUWUWMAIKREIAL-INIZCTEOSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccoc2CCC)C1 ZINC001501638445 1185914493 /nfs/dbraw/zinc/91/44/93/1185914493.db2.gz WRFXPXNCDJDFBA-CQSZACIVSA-N 0 3 324.852 3.426 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cncc(C)c1 ZINC001501661328 1185917941 /nfs/dbraw/zinc/91/79/41/1185917941.db2.gz TUNFLJYUUOLICI-UHFFFAOYSA-N 0 3 323.440 3.328 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2ccco2)cc1 ZINC001501681416 1185920793 /nfs/dbraw/zinc/92/07/93/1185920793.db2.gz IMMDTGCTCHVWSC-CVEARBPZSA-N 0 3 324.424 3.058 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(C)c1Cl ZINC001502383478 1185978457 /nfs/dbraw/zinc/97/84/57/1185978457.db2.gz SFLNFFALKIMQMA-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](NCc2ccccc2F)[C@@H](C)C1 ZINC001502745514 1186006519 /nfs/dbraw/zinc/00/65/19/1186006519.db2.gz WNWUDMXKEQLVLK-YOEHRIQHSA-N 0 3 318.436 3.365 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCCCc2ccccc2)C[C@H]1C ZINC001502966699 1186032097 /nfs/dbraw/zinc/03/20/97/1186032097.db2.gz FXLIYBUGNOLDMN-IEBWSBKVSA-N 0 3 312.457 3.002 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)C[C@@H]1C ZINC001503024449 1186037065 /nfs/dbraw/zinc/03/70/65/1186037065.db2.gz YGWXYDFGBZYTKQ-FUHWJXTLSA-N 0 3 306.494 3.297 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C)c2ccccc2n1 ZINC001505435487 1186078689 /nfs/dbraw/zinc/07/86/89/1186078689.db2.gz IVFWMUSJSQQFTD-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1ccccc1F ZINC001505444884 1186081700 /nfs/dbraw/zinc/08/17/00/1186081700.db2.gz KMICDRAGCFTHFP-NVXWUHKLSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccccc2CCC)C1 ZINC001505506529 1186095502 /nfs/dbraw/zinc/09/55/02/1186095502.db2.gz ADTHWBZUBOGXSE-UHFFFAOYSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001505835421 1186145926 /nfs/dbraw/zinc/14/59/26/1186145926.db2.gz IVYPBWYBUXEMRZ-HUUCEWRRSA-N 0 3 314.901 3.495 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001505884735 1186156967 /nfs/dbraw/zinc/15/69/67/1186156967.db2.gz MOJDIXIIEIOZHM-GUYCJALGSA-N 0 3 304.409 3.216 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001505884736 1186157209 /nfs/dbraw/zinc/15/72/09/1186157209.db2.gz MOJDIXIIEIOZHM-SUMWQHHRSA-N 0 3 304.409 3.216 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001505977123 1186174210 /nfs/dbraw/zinc/17/42/10/1186174210.db2.gz YTZVDWKVEIIAFW-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001506010963 1186181793 /nfs/dbraw/zinc/18/17/93/1186181793.db2.gz YZALXJHLVGILCA-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001506061261 1186191321 /nfs/dbraw/zinc/19/13/21/1186191321.db2.gz RSHASSCBGKAHDS-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1Cl)NC(=O)CC ZINC001506530590 1186241025 /nfs/dbraw/zinc/24/10/25/1186241025.db2.gz NDTJBQAVPIGHBK-MRXNPFEDSA-N 0 3 320.864 3.366 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC([C@H](C)NC(=O)C#CC(C)C)C2)c1 ZINC001506611432 1186261971 /nfs/dbraw/zinc/26/19/71/1186261971.db2.gz MQSZBOFJOGSXGR-DLBZAZTESA-N 0 3 312.457 3.152 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CN(CCOCCCC)CC1(C)C ZINC001506744923 1186283535 /nfs/dbraw/zinc/28/35/35/1186283535.db2.gz RLYLJYFATANZRD-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCC1(C(=O)N2CC3(C2)CCCN(CC=C)C3)CCCCC1 ZINC001506865366 1186299493 /nfs/dbraw/zinc/29/94/93/1186299493.db2.gz OCTRMOYNXRGEON-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001506899785 1186306283 /nfs/dbraw/zinc/30/62/83/1186306283.db2.gz ISKBUWVANWUCOR-JOCQHMNTSA-N 0 3 317.820 3.018 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001506911308 1186310338 /nfs/dbraw/zinc/31/03/38/1186310338.db2.gz SUSMFGSESMHFFE-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001507075591 1186354348 /nfs/dbraw/zinc/35/43/48/1186354348.db2.gz DLHJZPFEIMYVGL-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001507077509 1186355873 /nfs/dbraw/zinc/35/58/73/1186355873.db2.gz PKURULICSNXECQ-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001507147055 1186372671 /nfs/dbraw/zinc/37/26/71/1186372671.db2.gz IVBIDZXGHIRVJI-HNNXBMFYSA-N 0 3 300.446 3.058 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001507317583 1186388931 /nfs/dbraw/zinc/38/89/31/1186388931.db2.gz MBMQNLLEGXKDEV-STQMWFEESA-N 0 3 322.811 3.003 20 30 DGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001507343624 1186396739 /nfs/dbraw/zinc/39/67/39/1186396739.db2.gz IEBFJIYTBUNWIK-MJGOQNOKSA-N 0 3 313.445 3.051 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](CC)Cc3ccccc3)CCC[C@@H]12 ZINC001507350677 1186399582 /nfs/dbraw/zinc/39/95/82/1186399582.db2.gz PIBIKQOVQSGOTG-QKNQBKEWSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H]1C ZINC001507383381 1186412326 /nfs/dbraw/zinc/41/23/26/1186412326.db2.gz IZQCCECQVZAVET-RYUDHWBXSA-N 0 3 306.372 3.120 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(C)C ZINC001507825870 1186447088 /nfs/dbraw/zinc/44/70/88/1186447088.db2.gz SOIJDJLBIPFUQY-OKZBNKHCSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C[C@@H](CC)OC)C(C)C)CC1 ZINC001507831240 1186447956 /nfs/dbraw/zinc/44/79/56/1186447956.db2.gz GYIFWUMRLHBZJC-GOSISDBHSA-N 0 3 324.509 3.327 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)C(C)C ZINC001507839732 1186448834 /nfs/dbraw/zinc/44/88/34/1186448834.db2.gz DTYJEZIJZFAEJP-QZTJIDSGSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC001508065123 1186475181 /nfs/dbraw/zinc/47/51/81/1186475181.db2.gz XBDJWRXZHBNIDB-YRNRMSPPSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001508066342 1186475599 /nfs/dbraw/zinc/47/55/99/1186475599.db2.gz OJLBWUXMALAEGJ-NVXWUHKLSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC001508077185 1186477537 /nfs/dbraw/zinc/47/75/37/1186477537.db2.gz QPWHQRNJKCSCCR-JXFKEZNVSA-N 0 3 324.468 3.030 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H]2CC=CCC2)c1 ZINC001514948470 1186738668 /nfs/dbraw/zinc/73/86/68/1186738668.db2.gz TYOMRWGXQZPHMK-NVXWUHKLSA-N 0 3 310.397 3.067 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCC(F)(F)CC1 ZINC001517047463 1186800578 /nfs/dbraw/zinc/80/05/78/1186800578.db2.gz WBAMZYWIMGSCHG-VIFPVBQESA-N 0 3 301.724 3.075 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(Br)s1 ZINC001517064001 1186800690 /nfs/dbraw/zinc/80/06/90/1186800690.db2.gz FPNPBASJIBOZDQ-QMMMGPOBSA-N 0 3 324.203 3.217 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001520036410 1186912618 /nfs/dbraw/zinc/91/26/18/1186912618.db2.gz MHTJUYWGPBUEKJ-XQQFMLRXSA-N 0 3 317.751 3.193 20 30 DGEDHN CN1CCC[C@H]1CNc1cc(C(F)(F)F)c(F)cc1C#N ZINC001612678486 1193459029 /nfs/dbraw/zinc/45/90/29/1193459029.db2.gz JJVZKSWKFXNLRS-JTQLQIEISA-N 0 3 301.287 3.222 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001525115887 1187297752 /nfs/dbraw/zinc/29/77/52/1187297752.db2.gz DSRIWKXARXFTSD-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCN1CC[C@@H](N(CCc2ccccc2F)[C@H](C)CC)C1=O ZINC001615323930 1193519899 /nfs/dbraw/zinc/51/98/99/1193519899.db2.gz YIXQZPNSERKYHS-CRAIPNDOSA-N 0 3 318.436 3.256 20 30 DGEDHN C=C1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC001563458257 1188448507 /nfs/dbraw/zinc/44/85/07/1188448507.db2.gz BUENMKALOSJNEL-INIZCTEOSA-N 0 3 321.490 3.493 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCCF)[C@@H]2C)CCCCC1 ZINC001657043595 1196096170 /nfs/dbraw/zinc/09/61/70/1196096170.db2.gz IZLAZGYGNJQVOK-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(OCC(C)C)c1 ZINC001556466277 1189002045 /nfs/dbraw/zinc/00/20/45/1189002045.db2.gz PNGTUSZXTSOFCU-UHFFFAOYSA-N 0 3 318.461 3.301 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001556466527 1189002653 /nfs/dbraw/zinc/00/26/53/1189002653.db2.gz CCXMCTBBHDLYSA-SFHVURJKSA-N 0 3 318.461 3.119 20 30 DGEDHN C#CCC1(C(=O)N2CCN(C)C3(CCCCC3)C2)CCCCC1 ZINC001556685027 1189013759 /nfs/dbraw/zinc/01/37/59/1189013759.db2.gz MGAFMOAUQMPMFM-UHFFFAOYSA-N 0 3 316.489 3.437 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001556898918 1189027803 /nfs/dbraw/zinc/02/78/03/1189027803.db2.gz SWQIQDUVOTXCTJ-JFIYKMOQSA-N 0 3 300.446 3.368 20 30 DGEDHN N#Cc1ccc(F)cc1N1CCN(CC2CCCCC2)CC1 ZINC001559085554 1189169490 /nfs/dbraw/zinc/16/94/90/1189169490.db2.gz QIBXSDDIPVXXGN-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN C=CCN(C)CCN(CC)c1cc(C)nc(-c2cccs2)n1 ZINC001559223854 1189182658 /nfs/dbraw/zinc/18/26/58/1189182658.db2.gz NMIZLJYZRZXKNC-UHFFFAOYSA-N 0 3 316.474 3.458 20 30 DGEDHN CN1CCN(CC#Cc2ccccc2Cl)C[C@H]1C(C)(C)C ZINC001559956191 1189262505 /nfs/dbraw/zinc/26/25/05/1189262505.db2.gz PDNPGUBZKPNGSR-KRWDZBQOSA-N 0 3 304.865 3.354 20 30 DGEDHN C=CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC001560026976 1189270119 /nfs/dbraw/zinc/27/01/19/1189270119.db2.gz MLFUZMDTKDNFHX-UZLBHIALSA-N 0 3 312.457 3.460 20 30 DGEDHN C=C[C@H](CO)NCc1cc(Br)c2ccccc2c1 ZINC001560019718 1189270494 /nfs/dbraw/zinc/27/04/94/1189270494.db2.gz IDOMYHPPRDUHJU-CYBMUJFWSA-N 0 3 306.203 3.239 20 30 DGEDHN COCC#CCN1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC001560061876 1189273737 /nfs/dbraw/zinc/27/37/37/1189273737.db2.gz WFEIQBHDXDSAII-UKRRQHHQSA-N 0 3 322.246 3.277 20 30 DGEDHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cc2cnccc2o1 ZINC001560094270 1189276752 /nfs/dbraw/zinc/27/67/52/1189276752.db2.gz QMIQIOHYOADJFY-LRDDRELGSA-N 0 3 307.353 3.084 20 30 DGEDHN C#CCN(Cc1ccc(I)cc1)C(C)C ZINC001560164773 1189286522 /nfs/dbraw/zinc/28/65/22/1189286522.db2.gz MCJGOEGBLSZPIJ-UHFFFAOYSA-N 0 3 313.182 3.135 20 30 DGEDHN C=CCC[C@H]1CCCN1[C@H]1CCN(c2ccccc2OC)C1=O ZINC001560200304 1189290079 /nfs/dbraw/zinc/29/00/79/1189290079.db2.gz SEFBSWGOEKMONO-RDJZCZTQSA-N 0 3 314.429 3.231 20 30 DGEDHN FC(F)(F)c1cccc(CCNCC#Cc2ccccc2)n1 ZINC001560848738 1189393517 /nfs/dbraw/zinc/39/35/17/1189393517.db2.gz MNYXOFMUQPNKKB-UHFFFAOYSA-N 0 3 304.315 3.284 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001565820903 1189675470 /nfs/dbraw/zinc/67/54/70/1189675470.db2.gz FCUYXWGMIFXEKX-DZGCQCFKSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001565831891 1189682731 /nfs/dbraw/zinc/68/27/31/1189682731.db2.gz PUZFPTBJIUTQNR-UONOGXRCSA-N 0 3 322.474 3.258 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001565998466 1189712026 /nfs/dbraw/zinc/71/20/26/1189712026.db2.gz YESIWIVIZBAKRH-HHRUSQHESA-N 0 3 322.880 3.264 20 30 DGEDHN CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001566525293 1189791068 /nfs/dbraw/zinc/79/10/68/1189791068.db2.gz ULQHNAZWWOUBKL-IEBWSBKVSA-N 0 3 312.457 3.197 20 30 DGEDHN CC(C)c1ccc([C@H](C)N2CC[C@H](NC(=O)C#CC3CC3)C2)cc1 ZINC001566663948 1189846873 /nfs/dbraw/zinc/84/68/73/1189846873.db2.gz WYURZZBCYLXGCX-JXFKEZNVSA-N 0 3 324.468 3.475 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC[C@H](C)OC)CC1 ZINC001566696914 1189862857 /nfs/dbraw/zinc/86/28/57/1189862857.db2.gz HNMQPSQFNWCYNO-INIZCTEOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001566785632 1189902037 /nfs/dbraw/zinc/90/20/37/1189902037.db2.gz WBJRVFXQRFXDJK-HDJSIYSDSA-N 0 3 310.800 3.182 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CNCc2nc(C)cs2)C1 ZINC001566893480 1189942538 /nfs/dbraw/zinc/94/25/38/1189942538.db2.gz IUYPIGSCUWVBTA-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C2CCC2)C1 ZINC001566963480 1189972473 /nfs/dbraw/zinc/97/24/73/1189972473.db2.gz VFTFMZYTPZMAMF-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)NCc1cc(F)cc(F)c1 ZINC001567045305 1190006126 /nfs/dbraw/zinc/00/61/26/1190006126.db2.gz BTEWMELKMCZHSS-QWHCGFSZSA-N 0 3 310.388 3.161 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001567203649 1190067974 /nfs/dbraw/zinc/06/79/74/1190067974.db2.gz VGIICWWXBAGTHY-HFCFLWKCSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001567203444 1190068351 /nfs/dbraw/zinc/06/83/51/1190068351.db2.gz SCXSSANYZUSSIR-MRXNPFEDSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)NCc1c(F)cccc1Cl ZINC001567208510 1190070687 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C=C(C)CN1CCC[C@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001567382726 1190163432 /nfs/dbraw/zinc/16/34/32/1190163432.db2.gz KWDAOPBQJQUMNI-HNNXBMFYSA-N 0 3 316.420 3.014 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1sc(C(C)C)nc1C ZINC001567432648 1190189269 /nfs/dbraw/zinc/18/92/69/1190189269.db2.gz JHACYHRHHWKOTN-UHFFFAOYSA-N 0 3 321.490 3.040 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccccc1-c1ccccc1 ZINC001567432912 1190189542 /nfs/dbraw/zinc/18/95/42/1190189542.db2.gz PFMHFPOSBTTYJM-UHFFFAOYSA-N 0 3 320.436 3.429 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1sc(C(C)C)nc1C)C1CC1 ZINC001567453975 1190201800 /nfs/dbraw/zinc/20/18/00/1190201800.db2.gz GUCFWBABPBGHMT-UHFFFAOYSA-N 0 3 321.490 3.345 20 30 DGEDHN C=CCCCC(=O)N1CCC([C@H](C)NCc2cnc(C)o2)CC1 ZINC001567629999 1190230237 /nfs/dbraw/zinc/23/02/37/1190230237.db2.gz JBKQMXKWZLWVCT-AWEZNQCLSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccc1 ZINC001567660287 1190240584 /nfs/dbraw/zinc/24/05/84/1190240584.db2.gz XISHWQRPQXJGPF-UKBAYJJMSA-N 0 3 310.441 3.222 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC001567662830 1190241328 /nfs/dbraw/zinc/24/13/28/1190241328.db2.gz CFLLKEURUDCTKN-AABGKKOBSA-N 0 3 320.436 3.423 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC001567662862 1190242150 /nfs/dbraw/zinc/24/21/50/1190242150.db2.gz KBQBLDGIJDTPTA-ZWKOTPCHSA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC001567662860 1190242359 /nfs/dbraw/zinc/24/23/59/1190242359.db2.gz KBQBLDGIJDTPTA-QZTJIDSGSA-N 0 3 312.457 3.283 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C)c1ccccc1 ZINC001567675996 1190245277 /nfs/dbraw/zinc/24/52/77/1190245277.db2.gz JAZAJOGHCADOBE-QRQLOZEOSA-N 0 3 312.457 3.430 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C(C)=C2CCCC2)C1 ZINC001567680402 1190248818 /nfs/dbraw/zinc/24/88/18/1190248818.db2.gz AZGSAAJRRSEMGM-GOSISDBHSA-N 0 3 302.462 3.213 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2ccccc2F)C1 ZINC001567688421 1190253577 /nfs/dbraw/zinc/25/35/77/1190253577.db2.gz JCZIUSSKWKFQTO-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001567689364 1190255190 /nfs/dbraw/zinc/25/51/90/1190255190.db2.gz VBIYZPPULWOLPW-RDJZCZTQSA-N 0 3 318.486 3.188 20 30 DGEDHN O=C(NCC[C@@H]1CCN(CC#Cc2ccccc2)C1)C1CCCC1 ZINC001567692569 1190256492 /nfs/dbraw/zinc/25/64/92/1190256492.db2.gz CRXFLYYWXBGFTF-LJQANCHMSA-N 0 3 324.468 3.057 20 30 DGEDHN C=CC[C@H](C(=O)NCC1CN(CC[C@H](C)F)C1)c1ccccc1 ZINC001567848908 1190320106 /nfs/dbraw/zinc/32/01/06/1190320106.db2.gz NROQYRZBIHJKNJ-YJBOKZPZSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC1(F)F ZINC001567861429 1190325156 /nfs/dbraw/zinc/32/51/56/1190325156.db2.gz WEFRHQMPOHJODD-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)CC)CCCC1 ZINC001567866816 1190327496 /nfs/dbraw/zinc/32/74/96/1190327496.db2.gz SAIBSVVMNUDWSV-IKGGRYGDSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001567878525 1190332033 /nfs/dbraw/zinc/33/20/33/1190332033.db2.gz MFQVVKJQPXYDQZ-WMZOPIPTSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001567880592 1190332724 /nfs/dbraw/zinc/33/27/24/1190332724.db2.gz WGHJATILFOMKIC-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(CCC)cc2)C1 ZINC001567890212 1190336338 /nfs/dbraw/zinc/33/63/38/1190336338.db2.gz HWGXVXSBSCZWMZ-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2(c3ccccc3)CC2)C1 ZINC001567914736 1190348786 /nfs/dbraw/zinc/34/87/86/1190348786.db2.gz GKLAUJCQMHMJIB-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001567944005 1190368644 /nfs/dbraw/zinc/36/86/44/1190368644.db2.gz KFZSCQMLDURTPJ-CVEARBPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2cncs2)CCCC[C@H]1C ZINC001568037550 1190406057 /nfs/dbraw/zinc/40/60/57/1190406057.db2.gz ZLMGVMPCJKGAML-RHSMWYFYSA-N 0 3 321.490 3.264 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccc(Cl)s2)cc1 ZINC001568121558 1190427344 /nfs/dbraw/zinc/42/73/44/1190427344.db2.gz FFPFPZWJQYTAGC-UHFFFAOYSA-N 0 3 318.829 3.054 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001568240215 1190459280 /nfs/dbraw/zinc/45/92/80/1190459280.db2.gz BDXRYDMPPLHIHB-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001568274826 1190470346 /nfs/dbraw/zinc/47/03/46/1190470346.db2.gz PWTMTLLAKAJRAN-CYBMUJFWSA-N 0 3 321.490 3.238 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ncc(C)s2)[C@@H](C)C1 ZINC001568358484 1190501806 /nfs/dbraw/zinc/50/18/06/1190501806.db2.gz QPWDAVKHLIINDP-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001568459380 1190528439 /nfs/dbraw/zinc/52/84/39/1190528439.db2.gz OQTVGBXURAQICI-ZPBCLNFZSA-N 0 3 324.468 3.291 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@H](CC)C1CCC(C)CC1 ZINC001568485365 1190541004 /nfs/dbraw/zinc/54/10/04/1190541004.db2.gz SQRIXFXNFUEVOT-DAWZGUTISA-N 0 3 306.494 3.252 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C(C)(C)C)oc1C ZINC001568498082 1190548717 /nfs/dbraw/zinc/54/87/17/1190548717.db2.gz WMEWQKXFHRUIEF-UHFFFAOYSA-N 0 3 306.450 3.465 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001568551860 1190564204 /nfs/dbraw/zinc/56/42/04/1190564204.db2.gz WFMFRGUCMHOWFI-UHFFFAOYSA-N 0 3 312.457 3.075 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cn(CC)c2ccccc12 ZINC001568548677 1190564388 /nfs/dbraw/zinc/56/43/88/1190564388.db2.gz LQUJOSBKMURTPH-UHFFFAOYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc2[nH]ccc2c1 ZINC001568551352 1190564431 /nfs/dbraw/zinc/56/44/31/1190564431.db2.gz AHZCADRSUKVDRZ-UHFFFAOYSA-N 0 3 313.445 3.067 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)nn1C(CC)CC ZINC001568551507 1190564896 /nfs/dbraw/zinc/56/48/96/1190564896.db2.gz HJUITSVGROPNQO-UHFFFAOYSA-N 0 3 320.481 3.133 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001568664974 1190575634 /nfs/dbraw/zinc/57/56/34/1190575634.db2.gz SIEAGLJSHGVHKZ-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC001568683630 1190578418 /nfs/dbraw/zinc/57/84/18/1190578418.db2.gz XVJNCQIMPJBBER-LSDHHAIUSA-N 0 3 308.853 3.335 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2cc3ccccc3o2)C1 ZINC001569017685 1190608964 /nfs/dbraw/zinc/60/89/64/1190608964.db2.gz RGTUWISEZRYFKJ-CQSZACIVSA-N 0 3 312.413 3.383 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001569247298 1190657027 /nfs/dbraw/zinc/65/70/27/1190657027.db2.gz KQHLXHCUDFOCKT-ZIAGYGMSSA-N 0 3 302.890 3.495 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1[C@@H](C)c1cc(C)ccc1C ZINC001569355174 1190674294 /nfs/dbraw/zinc/67/42/94/1190674294.db2.gz GIMDHYJZEQMUQM-ZWKOTPCHSA-N 0 3 312.457 3.358 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001569359927 1190674898 /nfs/dbraw/zinc/67/48/98/1190674898.db2.gz OPWVAWLMKVOPEW-HIFRSBDPSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CC1CCC(F)(F)CC1 ZINC001569360115 1190676727 /nfs/dbraw/zinc/67/67/27/1190676727.db2.gz SYNCAZYJMVSTAE-OAHLLOKOSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001569380611 1190686147 /nfs/dbraw/zinc/68/61/47/1190686147.db2.gz CMGWFPCKAZBWFJ-NEPJUHHUSA-N 0 3 312.360 3.376 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3cc(C)ccc3s2)CC1 ZINC001569424017 1190695600 /nfs/dbraw/zinc/69/56/00/1190695600.db2.gz OUCGTTWYIQGHNM-UHFFFAOYSA-N 0 3 312.438 3.085 20 30 DGEDHN C#CCN(C(=O)C/C=C(\C)C=C)C1CCN(CC=C(C)C)CC1 ZINC001569591339 1190720356 /nfs/dbraw/zinc/72/03/56/1190720356.db2.gz JAADRYCDLRGGNC-QGMBQPNBSA-N 0 3 314.473 3.401 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cncs1)C1CCCC1 ZINC001569603648 1190722141 /nfs/dbraw/zinc/72/21/41/1190722141.db2.gz CNGZLWOYZYXVBG-MRXNPFEDSA-N 0 3 321.490 3.264 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC001569707058 1190744398 /nfs/dbraw/zinc/74/43/98/1190744398.db2.gz JYTAXPFVHJZPBM-SFHVURJKSA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001569716803 1190748090 /nfs/dbraw/zinc/74/80/90/1190748090.db2.gz WWVHVHZQWWOGFR-GOSISDBHSA-N 0 3 304.434 3.223 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(CCCC)CC2)C1 ZINC001569720502 1190748522 /nfs/dbraw/zinc/74/85/22/1190748522.db2.gz XGJBZEVAADTCFK-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(CC)cc2)C1 ZINC001569723130 1190749391 /nfs/dbraw/zinc/74/93/91/1190749391.db2.gz CARKWKBMTTWTER-FQEVSTJZSA-N 0 3 312.457 3.104 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccccc2F)C1 ZINC001569726869 1190751360 /nfs/dbraw/zinc/75/13/60/1190751360.db2.gz VXQLGESOCYMOPH-LJQANCHMSA-N 0 3 318.436 3.163 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C/C=C/Cl)C3)CCC1 ZINC001569798815 1190755052 /nfs/dbraw/zinc/75/50/52/1190755052.db2.gz PHNRERNZWXSHKL-QNVKQXIXSA-N 0 3 322.880 3.454 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CC12CCC2)c1ccccc1CC ZINC001569801755 1190755834 /nfs/dbraw/zinc/75/58/34/1190755834.db2.gz HTBVSEBNOVASJT-MSOLQXFVSA-N 0 3 312.457 3.372 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1CC ZINC001569801757 1190756459 /nfs/dbraw/zinc/75/64/59/1190756459.db2.gz HTBVSEBNOVASJT-ROUUACIJSA-N 0 3 312.457 3.372 20 30 DGEDHN CCCCC(=O)N1CC[C@@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001569804944 1190756956 /nfs/dbraw/zinc/75/69/56/1190756956.db2.gz RCGSJIZYTNKXNV-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1CC[C@H](C)C1 ZINC001569870298 1190767852 /nfs/dbraw/zinc/76/78/52/1190767852.db2.gz RXZPEKBQWWDZGD-HKUYNNGSSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001569905623 1190771543 /nfs/dbraw/zinc/77/15/43/1190771543.db2.gz XTVFOGTXDNBRIW-OALUTQOASA-N 0 3 323.440 3.090 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001569914574 1190773114 /nfs/dbraw/zinc/77/31/14/1190773114.db2.gz HFMNDGATCLEKAN-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C/C=C\c1ccc(C)cc1 ZINC001569917481 1190774329 /nfs/dbraw/zinc/77/43/29/1190774329.db2.gz SSJYRXDZDHSLHW-XCMRKIRBSA-N 0 3 322.452 3.097 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC001570017063 1190781891 /nfs/dbraw/zinc/78/18/91/1190781891.db2.gz NODZQVMSELAKIM-MRXNPFEDSA-N 0 3 320.864 3.498 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccoc1Cl ZINC001570025381 1190782771 /nfs/dbraw/zinc/78/27/71/1190782771.db2.gz DMXOONXSOPCEEW-UHFFFAOYSA-N 0 3 318.804 3.481 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccccc2C2CCC2)CCC1 ZINC001570125376 1190801435 /nfs/dbraw/zinc/80/14/35/1190801435.db2.gz VSNDBEYFHASJAS-UHFFFAOYSA-N 0 3 310.441 3.220 20 30 DGEDHN C=CCCC(=O)N(C)CCCN(C)Cc1cc(F)cc(F)c1 ZINC001570192394 1190814485 /nfs/dbraw/zinc/81/44/85/1190814485.db2.gz GKLUFIGVULUEPE-UHFFFAOYSA-N 0 3 310.388 3.211 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1(C)CC1 ZINC001570268499 1190833099 /nfs/dbraw/zinc/83/30/99/1190833099.db2.gz DBNUCEMUFNVMJI-GOSISDBHSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@@H](C)SC)cc2C1 ZINC001570311211 1190836983 /nfs/dbraw/zinc/83/69/83/1190836983.db2.gz QSVALOONJKMDGB-CQSZACIVSA-N 0 3 318.486 3.336 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2cccc(Cl)c2F)C1 ZINC001570335342 1190840693 /nfs/dbraw/zinc/84/06/93/1190840693.db2.gz WOWGYCWBKDZCPG-SWLSCSKDSA-N 0 3 324.827 3.382 20 30 DGEDHN C=CCCC(=O)N1CCC(C)(NC/C(Cl)=C/Cl)CC1 ZINC001570369341 1190845478 /nfs/dbraw/zinc/84/54/78/1190845478.db2.gz PAVOKLFHEVZTNI-BENRWUELSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001570397520 1190852766 /nfs/dbraw/zinc/85/27/66/1190852766.db2.gz JWCDVCLIPKNRNM-IRXDYDNUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccccc2)C(C)(C)C1 ZINC001570400327 1190853465 /nfs/dbraw/zinc/85/34/65/1190853465.db2.gz XFKILTIQCREPNJ-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)C(C)(C)C1 ZINC001570400286 1190853498 /nfs/dbraw/zinc/85/34/98/1190853498.db2.gz VZROZPHKYZVSPE-LBPRGKRZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C(C)(C)C1 ZINC001570400211 1190853584 /nfs/dbraw/zinc/85/35/84/1190853584.db2.gz TURDKFXVUGFOPS-STQMWFEESA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(CCc2ccccc2F)[C@H](C)C1 ZINC001570431713 1190855870 /nfs/dbraw/zinc/85/58/70/1190855870.db2.gz NDGSXQSFLGQZGH-NVXWUHKLSA-N 0 3 318.436 3.304 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCc2ccsc2)C[C@H]1C ZINC001570436655 1190858248 /nfs/dbraw/zinc/85/82/48/1190858248.db2.gz CLOKYIRAIVTKLK-NVXWUHKLSA-N 0 3 318.486 3.063 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@H](C)C1 ZINC001570440252 1190859515 /nfs/dbraw/zinc/85/95/15/1190859515.db2.gz JQEZPUIWCNEOFP-SJORKVTESA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC/C=C/c2ccccc2)C[C@@H]1C ZINC001570445446 1190860590 /nfs/dbraw/zinc/86/05/90/1190860590.db2.gz LXXJNQZIPYKRQS-FBAPOHRVSA-N 0 3 324.468 3.472 20 30 DGEDHN CC/C=C(/C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001570455391 1190862804 /nfs/dbraw/zinc/86/28/04/1190862804.db2.gz XOKIKFKWZKYFJJ-UUSOHVMFSA-N 0 3 317.408 3.038 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)CC ZINC001570476442 1190866361 /nfs/dbraw/zinc/86/63/61/1190866361.db2.gz CICOZTUXKRILGP-QAPCUYQASA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)CCCC ZINC001570519603 1190873964 /nfs/dbraw/zinc/87/39/64/1190873964.db2.gz UPRPCCLRGONIMM-ZTFGCOKTSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnc2ccccc2c1C ZINC001570535547 1190879385 /nfs/dbraw/zinc/87/93/85/1190879385.db2.gz AQTJXVJBGRXZDG-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001570545136 1190884548 /nfs/dbraw/zinc/88/45/48/1190884548.db2.gz MEEQIXCULZRRPF-WBVHZDCISA-N 0 3 318.848 3.089 20 30 DGEDHN Cc1ccc(CN[C@H](C)[C@H](C)NC(=O)C#CC2CC2)c(Cl)c1 ZINC001570600752 1190897962 /nfs/dbraw/zinc/89/79/62/1190897962.db2.gz CGXXKBNXXGKGFF-KGLIPLIRSA-N 0 3 318.848 3.045 20 30 DGEDHN Cc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)c(Cl)c1 ZINC001570600753 1190898119 /nfs/dbraw/zinc/89/81/19/1190898119.db2.gz CGXXKBNXXGKGFF-UONOGXRCSA-N 0 3 318.848 3.045 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001570598151 1190898247 /nfs/dbraw/zinc/89/82/47/1190898247.db2.gz HTQMRBUCKIOEOY-KBPBESRZSA-N 0 3 322.399 3.141 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001570604115 1190899141 /nfs/dbraw/zinc/89/91/41/1190899141.db2.gz JBJUEYCRYAEKLV-SJORKVTESA-N 0 3 312.457 3.123 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccccc1C ZINC001570669044 1190913798 /nfs/dbraw/zinc/91/37/98/1190913798.db2.gz LCSLNHGHSGXEBW-UHFFFAOYSA-N 0 3 308.853 3.435 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCC1(C)C ZINC001570680483 1190916117 /nfs/dbraw/zinc/91/61/17/1190916117.db2.gz FIMIQDVONCYMNW-CYBMUJFWSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@@H]2C(C)C)CCCCC1 ZINC001570804856 1190952285 /nfs/dbraw/zinc/95/22/85/1190952285.db2.gz ZLBVEBATMCBVGF-CABCVRRESA-N 0 3 312.885 3.440 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)C(C)C ZINC001570807484 1190952804 /nfs/dbraw/zinc/95/28/04/1190952804.db2.gz MNLNCTFRBBFRNU-ZDUSSCGKSA-N 0 3 307.463 3.040 20 30 DGEDHN CC(C)c1ccccc1CN1CC([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001570839900 1190963435 /nfs/dbraw/zinc/96/34/35/1190963435.db2.gz UGLZJWMAWWGYSZ-MRXNPFEDSA-N 0 3 324.468 3.160 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001571148669 1190983885 /nfs/dbraw/zinc/98/38/85/1190983885.db2.gz XNPSOJQXYBJTGS-KKUMJFAQSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](F)c1ccccc1 ZINC001571315715 1190991301 /nfs/dbraw/zinc/99/13/01/1190991301.db2.gz WXJUSMRWAYGXQY-DZGCQCFKSA-N 0 3 312.816 3.324 20 30 DGEDHN C[C@@H](C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1)C1CC1 ZINC001571329779 1190993897 /nfs/dbraw/zinc/99/38/97/1190993897.db2.gz NVCCDZZFJNFOAW-QGZVFWFLSA-N 0 3 324.468 3.007 20 30 DGEDHN CC(C)CCCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001571407376 1191016924 /nfs/dbraw/zinc/01/69/24/1191016924.db2.gz VQYGGWGQWVLRKW-CQSZACIVSA-N 0 3 321.490 3.383 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1oc2c(cccc2C)c1C ZINC001571419424 1191020742 /nfs/dbraw/zinc/02/07/42/1191020742.db2.gz QOMQURWSIUKSAP-CQSZACIVSA-N 0 3 312.413 3.123 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2c(C)nsc2C)[C@H]1C ZINC001571456740 1191023214 /nfs/dbraw/zinc/02/32/14/1191023214.db2.gz JGTPIJGVCPCWKF-CJNGLKHVSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001571485316 1191028752 /nfs/dbraw/zinc/02/87/52/1191028752.db2.gz PSECMOADMOBRQO-GUYCJALGSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2scnc2CC)[C@H]1C ZINC001571518753 1191040060 /nfs/dbraw/zinc/04/00/60/1191040060.db2.gz IXNWYOPNBWULAY-HIFRSBDPSA-N 0 3 321.490 3.254 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cnc(C(C)C)s1)C(C)C ZINC001571616609 1191064099 /nfs/dbraw/zinc/06/40/99/1191064099.db2.gz IGTPARHZFJGYLK-UHFFFAOYSA-N 0 3 309.479 3.235 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CCN(Cc2cccnc2)CC1 ZINC001571647988 1191074083 /nfs/dbraw/zinc/07/40/83/1191074083.db2.gz ACRICUXXBIRYOW-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001571650117 1191074680 /nfs/dbraw/zinc/07/46/80/1191074680.db2.gz GOWPRNFWPBFKRY-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC(C2CC2)C2CC2)C1 ZINC001571666119 1191079583 /nfs/dbraw/zinc/07/95/83/1191079583.db2.gz XRANVUHVICBEFQ-UHFFFAOYSA-N 0 3 310.869 3.144 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC001574852853 1191454934 /nfs/dbraw/zinc/45/49/34/1191454934.db2.gz ZHGPFEIEQWLVMB-BVOGVELGSA-N 0 3 310.869 3.177 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC001574857155 1191455210 /nfs/dbraw/zinc/45/52/10/1191455210.db2.gz MQZUYROSKIPPRY-JQWIXIFHSA-N 0 3 323.849 3.347 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001574860105 1191455385 /nfs/dbraw/zinc/45/53/85/1191455385.db2.gz KXNOIGONZSSRSJ-CYBMUJFWSA-N 0 3 321.833 3.142 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001574908213 1191457427 /nfs/dbraw/zinc/45/74/27/1191457427.db2.gz HZOOZKHHZAWMJP-KBXCAEBGSA-N 0 3 300.446 3.426 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001574903918 1191457702 /nfs/dbraw/zinc/45/77/02/1191457702.db2.gz XTPYEDXMJNCZBE-KURKYZTESA-N 0 3 300.446 3.198 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCOc2c1cccc2C(C)(C)C ZINC001574902577 1191457808 /nfs/dbraw/zinc/45/78/08/1191457808.db2.gz CRRFFHAECWSHAT-HNNXBMFYSA-N 0 3 316.445 3.393 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC001574902835 1191458280 /nfs/dbraw/zinc/45/82/80/1191458280.db2.gz HQIFEEARAWPDEX-KRWDZBQOSA-N 0 3 302.393 3.125 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001574962683 1191460687 /nfs/dbraw/zinc/46/06/87/1191460687.db2.gz OAODOWZXZJHVKD-KUHUBIRLSA-N 0 3 324.399 3.411 20 30 DGEDHN CC#CC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC001574971375 1191460721 /nfs/dbraw/zinc/46/07/21/1191460721.db2.gz CVMMMUIGXRUPEI-MRXNPFEDSA-N 0 3 318.848 3.009 20 30 DGEDHN CC#CC[C@H](N)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC001574971340 1191460733 /nfs/dbraw/zinc/46/07/33/1191460733.db2.gz CHURERDXPKAUKQ-KRWDZBQOSA-N 0 3 314.473 3.119 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001574973098 1191461555 /nfs/dbraw/zinc/46/15/55/1191461555.db2.gz SEDGFWWJKJABLF-XIRDDKMYSA-N 0 3 318.848 3.223 20 30 DGEDHN C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H]1CNCCO1 ZINC001576252172 1191550593 /nfs/dbraw/zinc/55/05/93/1191550593.db2.gz PTYZHVAOEOBJFL-IFXJQAMLSA-N 0 3 323.396 3.139 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1cccc(OCC)c1 ZINC001618814288 1193752727 /nfs/dbraw/zinc/75/27/27/1193752727.db2.gz RPVHFAWEEYLJBP-VAWYXSNFSA-N 0 3 316.445 3.065 20 30 DGEDHN C=CCCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001620057912 1193763310 /nfs/dbraw/zinc/76/33/10/1193763310.db2.gz ZGMBTQHRKHDMGW-UHFFFAOYSA-N 0 3 321.428 3.037 20 30 DGEDHN C#CCOCCN1CCC[C@@]1(C)Cc1cc(F)c(F)c(F)c1 ZINC001620542193 1193777854 /nfs/dbraw/zinc/77/78/54/1193777854.db2.gz RFVRUOIJRRMMJA-KRWDZBQOSA-N 0 3 311.347 3.151 20 30 DGEDHN C=CCC[C@H]1CCCN1Cc1ccc(OCC(F)(F)F)nn1 ZINC001620642236 1193786202 /nfs/dbraw/zinc/78/62/02/1193786202.db2.gz MPTYRMSNXXMSRS-ZDUSSCGKSA-N 0 3 315.339 3.348 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CCCC2)C1 ZINC001620670928 1193789404 /nfs/dbraw/zinc/78/94/04/1193789404.db2.gz AYDFZHQUDDUUOE-AYBZRNKSSA-N 0 3 319.493 3.332 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc(CC)cc1 ZINC001626745241 1194093148 /nfs/dbraw/zinc/09/31/48/1194093148.db2.gz VLYCCZUNGBHAKT-UHFFFAOYSA-N 0 3 302.462 3.148 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)CN(C)CC(C)(C)C ZINC001627404581 1194126453 /nfs/dbraw/zinc/12/64/53/1194126453.db2.gz ULNMCAWBMUONKS-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001638168595 1194705252 /nfs/dbraw/zinc/70/52/52/1194705252.db2.gz MQOLMHBPBHUTOD-HNNXBMFYSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001671907435 1194773881 /nfs/dbraw/zinc/77/38/81/1194773881.db2.gz IRFLXDBISQYEDJ-GDBMZVCRSA-N 0 3 314.420 3.216 20 30 DGEDHN C#CCN(C)CCCNC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C ZINC001641723617 1194868526 /nfs/dbraw/zinc/86/85/26/1194868526.db2.gz BZQVRPHKTQLKLK-LBAVWGDESA-N 0 3 304.478 3.076 20 30 DGEDHN N#C[C@H](c1ccccc1)N1CCN(CC23CCC(CC2)C3)CC1 ZINC001642109593 1194888272 /nfs/dbraw/zinc/88/82/72/1194888272.db2.gz GPAUUKPEJKGVFP-SKINQDTJSA-N 0 3 309.457 3.449 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCC=C(c3ccccc3)C2)c1 ZINC001643038190 1194962321 /nfs/dbraw/zinc/96/23/21/1194962321.db2.gz HDWMDDPWOTVQGV-FQEVSTJZSA-N 0 3 304.393 3.381 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)C1 ZINC001644469623 1195109977 /nfs/dbraw/zinc/10/99/77/1195109977.db2.gz FLDOWLZLMJZZHA-HZPDHXFCSA-N 0 3 316.420 3.080 20 30 DGEDHN C[C@]1(NCCOc2ccccc2C#N)CCOc2ccccc21 ZINC001644636931 1195122566 /nfs/dbraw/zinc/12/25/66/1195122566.db2.gz RLSRMYAXDYOELN-IBGZPJMESA-N 0 3 308.381 3.225 20 30 DGEDHN COc1ccc(C[C@@H]2CCN2CCOc2cccc(C#N)c2)cc1 ZINC001644772160 1195133846 /nfs/dbraw/zinc/13/38/46/1195133846.db2.gz PAISDRTULAOZND-SFHVURJKSA-N 0 3 322.408 3.263 20 30 DGEDHN COc1ccc(C)cc1[C@H](C)NC[C@H](O)c1cccc(C#N)c1 ZINC001646080632 1195213279 /nfs/dbraw/zinc/21/32/79/1195213279.db2.gz PAEWHYYRRJVTPS-KSSFIOAISA-N 0 3 310.397 3.260 20 30 DGEDHN N#Cc1ccnc(CN2CCC[C@H](c3c[nH]c4ncccc34)C2)c1 ZINC001648046655 1195273208 /nfs/dbraw/zinc/27/32/08/1195273208.db2.gz GMRDTTYOUUWZED-HNNXBMFYSA-N 0 3 317.396 3.209 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001648293317 1195289656 /nfs/dbraw/zinc/28/96/56/1195289656.db2.gz YSIMGMZOFALJRA-OAHLLOKOSA-N 0 3 323.415 3.345 20 30 DGEDHN C#CC[C@@H]1CCN(CCOc2ccccc2Br)C1 ZINC001648292604 1195289835 /nfs/dbraw/zinc/28/98/35/1195289835.db2.gz BOWNPDJUTCLUTN-CYBMUJFWSA-N 0 3 308.219 3.173 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(-n2cccn2)c1 ZINC001648772585 1195330651 /nfs/dbraw/zinc/33/06/51/1195330651.db2.gz HMBNQULQOCHABG-UHFFFAOYSA-N 0 3 317.396 3.046 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC001649443346 1195340388 /nfs/dbraw/zinc/34/03/88/1195340388.db2.gz KNVFXFUWAAOSBY-YSTOQKLRSA-N 0 3 324.468 3.283 20 30 DGEDHN C=CCN[C@H](CNC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC001649445457 1195340785 /nfs/dbraw/zinc/34/07/85/1195340785.db2.gz VBMAJSDOSQTYOW-QGZVFWFLSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC001649445456 1195341268 /nfs/dbraw/zinc/34/12/68/1195341268.db2.gz VBMAJSDOSQTYOW-KRWDZBQOSA-N 0 3 300.446 3.446 20 30 DGEDHN CCN1C[C@H](C)N(c2ncc(C#N)c3ccsc32)C[C@H]1C ZINC001650927341 1195396413 /nfs/dbraw/zinc/39/64/13/1195396413.db2.gz IZTLLYOWNRNXGG-NEPJUHHUSA-N 0 3 300.431 3.087 20 30 DGEDHN C=CCN(C)CCN(CC)c1cnc2cc(Cl)ccc2n1 ZINC001651989372 1195533497 /nfs/dbraw/zinc/53/34/97/1195533497.db2.gz NILZBMBXGCPHSN-UHFFFAOYSA-N 0 3 304.825 3.227 20 30 DGEDHN C#CCCCCCCN1CCN(CCOc2ccccc2)CC1 ZINC001652059801 1195542966 /nfs/dbraw/zinc/54/29/66/1195542966.db2.gz VTAKSLRMUPDTNU-UHFFFAOYSA-N 0 3 314.473 3.267 20 30 DGEDHN C#C[C@H](C)NCc1cc(C)c(I)cc1C ZINC001652432082 1195596534 /nfs/dbraw/zinc/59/65/34/1195596534.db2.gz CQIREOBVUSQTAH-NSHDSACASA-N 0 3 313.182 3.019 20 30 DGEDHN C[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001653105268 1195688592 /nfs/dbraw/zinc/68/85/92/1195688592.db2.gz OZAHOTNHZNGKSA-DIFFPNOSSA-N 0 3 302.324 3.221 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC001653334470 1195711837 /nfs/dbraw/zinc/71/18/37/1195711837.db2.gz SHDUYSUUQNPECQ-VQTJNVASSA-N 0 3 322.408 3.055 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cccc(OC(C)(C)C)n1 ZINC001653457688 1195725470 /nfs/dbraw/zinc/72/54/70/1195725470.db2.gz WAHPGJNCASITRZ-UHFFFAOYSA-N 0 3 305.466 3.199 20 30 DGEDHN CCN(Cc1cncc(C#N)c1)[C@H](COC)Cc1ccccc1 ZINC001653532305 1195731779 /nfs/dbraw/zinc/73/17/79/1195731779.db2.gz FWURBELLUGGPFB-IBGZPJMESA-N 0 3 309.413 3.033 20 30 DGEDHN COCC#CCN1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001653800569 1195751675 /nfs/dbraw/zinc/75/16/75/1195751675.db2.gz NCLUVIDARNUYDV-OAQYLSRUSA-N 0 3 305.421 3.478 20 30 DGEDHN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(Cc2ccc(C#N)s2)[C@H]1C ZINC001655085816 1195873964 /nfs/dbraw/zinc/87/39/64/1195873964.db2.gz QNSNWDYZFCPBSN-LMOYCYGVSA-N 0 3 320.458 3.418 20 30 DGEDHN C#CCCN(CCOC)CCOc1cc(Cl)cc(Cl)c1 ZINC001655165041 1195884960 /nfs/dbraw/zinc/88/49/60/1195884960.db2.gz PBMKWCJZRDLNGR-UHFFFAOYSA-N 0 3 316.228 3.344 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCCOC1CCCCC1 ZINC001655544241 1195930270 /nfs/dbraw/zinc/93/02/70/1195930270.db2.gz ZEKOOIFKQZATFU-UHFFFAOYSA-N 0 3 301.434 3.063 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3cc(C)cc(C)c3)CC2)C1=O ZINC001655813925 1195965740 /nfs/dbraw/zinc/96/57/40/1195965740.db2.gz ZNHMPVCFPOBQEJ-LJQANCHMSA-N 0 3 312.457 3.270 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@H]1CCN1CCC)c1ccccc1 ZINC001656109526 1196005234 /nfs/dbraw/zinc/00/52/34/1196005234.db2.gz MGJZPMVCYKISKM-MSOLQXFVSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001656135501 1196008674 /nfs/dbraw/zinc/00/86/74/1196008674.db2.gz PGHBHCPHGMBELN-AKAXFMLLSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001656170433 1196013442 /nfs/dbraw/zinc/01/34/42/1196013442.db2.gz SZHAYIFHAJYROZ-SOUVJXGZSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001656368877 1196033677 /nfs/dbraw/zinc/03/36/77/1196033677.db2.gz ASERBQIMBKSYIM-YQQAZPJKSA-N 0 3 320.864 3.417 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(CC)CC)C(C)(C)[C@H]21 ZINC001656650395 1196058081 /nfs/dbraw/zinc/05/80/81/1196058081.db2.gz DNRMGMXQEPHOOB-QRQLOZEOSA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2)[C@H]1CC ZINC001656756228 1196069025 /nfs/dbraw/zinc/06/90/25/1196069025.db2.gz QDRVMVZZWKVSNF-YTQUADARSA-N 0 3 312.457 3.173 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](CCCCC)C(C)C)C[C@@H]2C1 ZINC001656839893 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COc1cc(C)c(CN(C)Cc2cc(C#N)cs2)c(O)c1 ZINC001658986204 1196328000 /nfs/dbraw/zinc/32/80/00/1196328000.db2.gz LHQRTIFKTRVLQJ-UHFFFAOYSA-N 0 3 302.399 3.274 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@@H](C)Cc2ccccc2C)C1 ZINC001659352307 1196374515 /nfs/dbraw/zinc/37/45/15/1196374515.db2.gz JVEQOZSIRMJXDF-ZWKOTPCHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001660426242 1196482090 /nfs/dbraw/zinc/48/20/90/1196482090.db2.gz NGOHIFPDTLZKMX-LSDHHAIUSA-N 0 3 323.868 3.059 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001660439793 1196484185 /nfs/dbraw/zinc/48/41/85/1196484185.db2.gz KRPLGDZNSWCBPC-WBVHZDCISA-N 0 3 320.864 3.397 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCC(F)F ZINC001660447252 1196485347 /nfs/dbraw/zinc/48/53/47/1196485347.db2.gz OOZCTYZZNXHJBO-NWDGAFQWSA-N 0 3 308.800 3.143 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CO[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001660772620 1196522206 /nfs/dbraw/zinc/52/22/06/1196522206.db2.gz 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C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001663554320 1196903176 /nfs/dbraw/zinc/90/31/76/1196903176.db2.gz ZXTMSPVVFOQCSH-WMLDXEAASA-N 0 3 320.864 3.285 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663619960 1196914732 /nfs/dbraw/zinc/91/47/32/1196914732.db2.gz IVULVUARHYKHMG-VQIMIIECSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C(C)(C)C2CCCCC2)C1 ZINC001663624884 1196915694 /nfs/dbraw/zinc/91/56/94/1196915694.db2.gz JUBKAVUAFFKATB-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001663672679 1196925924 /nfs/dbraw/zinc/92/59/24/1196925924.db2.gz SYRVCOPSMRLOJH-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)cc1C ZINC001664346330 1196991278 /nfs/dbraw/zinc/99/12/78/1196991278.db2.gz WENDYJRUVIYKRP-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc[nH]c1)c1ccc(C(C)C)cc1 ZINC001664561630 1197013956 /nfs/dbraw/zinc/01/39/56/1197013956.db2.gz 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/nfs/dbraw/zinc/17/14/49/1197171449.db2.gz RQMGMUPZKJQTME-HKUYNNGSSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCc2ccc(C)cc2)C1 ZINC001665732433 1197182963 /nfs/dbraw/zinc/18/29/63/1197182963.db2.gz UHGFMZJMQUFBKG-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN CC[C@H](CNC(=O)C[C@@H]1C=CCCC1)NCC#Cc1ccccc1 ZINC001665810320 1197200729 /nfs/dbraw/zinc/20/07/29/1197200729.db2.gz SXCXYXPCXCHKIJ-WOJBJXKFSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCC1(NC(=O)NC[C@H](c2ccccc2)N(C)C)CCCC1 ZINC001665866153 1197208866 /nfs/dbraw/zinc/20/88/66/1197208866.db2.gz VWLUWONGSFTTDJ-QGZVFWFLSA-N 0 3 315.461 3.477 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001665866532 1197209213 /nfs/dbraw/zinc/20/92/13/1197209213.db2.gz FHLRDPJMNRTQSE-MJGOQNOKSA-N 0 3 314.473 3.349 20 30 DGEDHN CC[C@H](C)C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001665905314 1197215318 /nfs/dbraw/zinc/21/53/18/1197215318.db2.gz YLRXIZSNIADNCP-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cccnc2)CCCC[C@H]1C ZINC001666043168 1197229935 /nfs/dbraw/zinc/22/99/35/1197229935.db2.gz JGVIAAZFSILPME-CXAGYDPISA-N 0 3 321.852 3.102 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CCNCc2ncc(C)s2)C1 ZINC001666088659 1197235094 /nfs/dbraw/zinc/23/50/94/1197235094.db2.gz WIVLVQLZTLNCQC-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001666786805 1197285411 /nfs/dbraw/zinc/28/54/11/1197285411.db2.gz GIGIFDOIAINWGK-KRWDZBQOSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001666973067 1197303808 /nfs/dbraw/zinc/30/38/08/1197303808.db2.gz ZHOASQLGDWDBMA-UONOGXRCSA-N 0 3 319.474 3.159 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)C[C@@H](C)CC)C(C)C ZINC001667454543 1197350371 /nfs/dbraw/zinc/35/03/71/1197350371.db2.gz WRBKXJCWXLXAMD-WCQYABFASA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(C2CCC2)CCC1)C(C)C ZINC001667478859 1197352141 /nfs/dbraw/zinc/35/21/41/1197352141.db2.gz SZLWWABEZHSADS-OAHLLOKOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1csc2cc(C)ccc21 ZINC001667574439 1197363365 /nfs/dbraw/zinc/36/33/65/1197363365.db2.gz GRSNITZWHWMJQW-UHFFFAOYSA-N 0 3 302.443 3.400 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001667657148 1197375448 /nfs/dbraw/zinc/37/54/48/1197375448.db2.gz YLDKWEDRQIIDJW-UHFFFAOYSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1CNCc1nccs1 ZINC001667726434 1197383343 /nfs/dbraw/zinc/38/33/43/1197383343.db2.gz FPOUWKFQBCFOOA-KBPBESRZSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCCCC1(F)F ZINC001668153111 1197402236 /nfs/dbraw/zinc/40/22/36/1197402236.db2.gz PPXDNVFQCPWQJT-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@@H](C)C(C)(C)C ZINC001668468863 1197416287 /nfs/dbraw/zinc/41/62/87/1197416287.db2.gz IHYUMPVZCWPXRW-OAHLLOKOSA-N 0 3 315.461 3.179 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1ccc(C)cc1 ZINC001668627034 1197422413 /nfs/dbraw/zinc/42/24/13/1197422413.db2.gz ZNXZQRSBMGVRKU-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC001668978816 1197435594 /nfs/dbraw/zinc/43/55/94/1197435594.db2.gz MQAQPKIYGAPTNS-FUTAKVPZSA-N 0 3 316.420 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CN[C@H]1CCc2ccc(F)cc21 ZINC001668978818 1197435599 /nfs/dbraw/zinc/43/55/99/1197435599.db2.gz MQAQPKIYGAPTNS-OSJSJHBBSA-N 0 3 316.420 3.287 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1ccc(F)cc1C ZINC001669020540 1197437688 /nfs/dbraw/zinc/43/76/88/1197437688.db2.gz DOBOJXRZOZBEGD-QULHZPMSSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001669020541 1197437858 /nfs/dbraw/zinc/43/78/58/1197437858.db2.gz DOBOJXRZOZBEGD-UCFODXPJSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1cc(Cl)ccc1OC ZINC001669302616 1197448135 /nfs/dbraw/zinc/44/81/35/1197448135.db2.gz RVBLDRNPCIOPSW-CYBMUJFWSA-N 0 3 324.852 3.299 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cncs2)CCCCC1 ZINC001669749802 1197474744 /nfs/dbraw/zinc/47/47/44/1197474744.db2.gz AYJBRGFMMCUFSH-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669783348 1197481954 /nfs/dbraw/zinc/48/19/54/1197481954.db2.gz TYIIZSYTHDZEPT-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2cccc(C)c2s1 ZINC001669833042 1197489368 /nfs/dbraw/zinc/48/93/68/1197489368.db2.gz MQRYXTBXXWWCSE-CYBMUJFWSA-N 0 3 302.443 3.446 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2ccc(F)cc2s1 ZINC001669838307 1197489906 /nfs/dbraw/zinc/48/99/06/1197489906.db2.gz KVOHBDPJLFDOLR-LLVKDONJSA-N 0 3 306.406 3.277 20 30 DGEDHN C=CCCCC(=O)NC1(C)CCN(Cc2cccnc2C)CC1 ZINC001671423167 1197539284 /nfs/dbraw/zinc/53/92/84/1197539284.db2.gz LHLWLUMGFRCDOS-UHFFFAOYSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001671577414 1197549752 /nfs/dbraw/zinc/54/97/52/1197549752.db2.gz LOQPSNVYSZBUGQ-SJORKVTESA-N 0 3 316.470 3.117 20 30 DGEDHN Cc1csc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1C#N ZINC001671656679 1197558706 /nfs/dbraw/zinc/55/87/06/1197558706.db2.gz YGZDCPZBIKGUTM-ZDUSSCGKSA-N 0 3 318.446 3.067 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001671768299 1197568643 /nfs/dbraw/zinc/56/86/43/1197568643.db2.gz DMSSPKAPACYMGZ-JQVXPOPVSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCCc2ccsc2)C1 ZINC001671891837 1197581235 /nfs/dbraw/zinc/58/12/35/1197581235.db2.gz HSRONDWDYUFHJW-GOSISDBHSA-N 0 3 320.502 3.475 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001671912218 1197584831 /nfs/dbraw/zinc/58/48/31/1197584831.db2.gz JNNXNLSJLXYSKQ-IEBWSBKVSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccccc2Cl)C1 ZINC001671912225 1197585048 /nfs/dbraw/zinc/58/50/48/1197585048.db2.gz JSLRCQZYKCKLLH-KRWDZBQOSA-N 0 3 306.837 3.358 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCCCC(C)C)C1 ZINC001671912605 1197585111 /nfs/dbraw/zinc/58/51/11/1197585111.db2.gz PCHJZHPYXGHTLL-IBGZPJMESA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2nc(C)sc2C)C1 ZINC001672192029 1197596386 /nfs/dbraw/zinc/59/63/86/1197596386.db2.gz YCZGFAQIWZOWAI-DOMZBBRYSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001672737018 1197621359 /nfs/dbraw/zinc/62/13/59/1197621359.db2.gz AYZOPEAVFMCPQP-CQSZACIVSA-N 0 3 310.825 3.091 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccn(CC)c2C)C1 ZINC001672847411 1197625177 /nfs/dbraw/zinc/62/51/77/1197625177.db2.gz YXUDSZPZJOLSOG-OAHLLOKOSA-N 0 3 323.868 3.011 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@](C)(CC)CCC)C2)CC1 ZINC001673016815 1197634794 /nfs/dbraw/zinc/63/47/94/1197634794.db2.gz QSCSAFMUYRSTSC-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccccc2CC(C)(C)C)CCC1 ZINC001673181075 1197642068 /nfs/dbraw/zinc/64/20/68/1197642068.db2.gz VAKNAGLSQWCAIN-UHFFFAOYSA-N 0 3 312.457 3.151 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](F)CC ZINC001673632992 1197681887 /nfs/dbraw/zinc/68/18/87/1197681887.db2.gz BMFOYGKGFNOJQN-ROUUACIJSA-N 0 3 318.436 3.244 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCOCC(C)C)CC1(C)C ZINC001674018809 1197722738 /nfs/dbraw/zinc/72/27/38/1197722738.db2.gz PBXXHRIRZFRRNL-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](F)CC1CCCCC1 ZINC001674491604 1197786267 /nfs/dbraw/zinc/78/62/67/1197786267.db2.gz PLULYRAXCYOARU-IRXDYDNUSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](F)CC1CCCCC1 ZINC001674491605 1197786691 /nfs/dbraw/zinc/78/66/91/1197786691.db2.gz PLULYRAXCYOARU-SJORKVTESA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CC(C)(C)c1ccccc1 ZINC001674499077 1197789194 /nfs/dbraw/zinc/78/91/94/1197789194.db2.gz CJVCIRQJOUTBOR-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C)cc1Cl ZINC001674662709 1197826001 /nfs/dbraw/zinc/82/60/01/1197826001.db2.gz YKLRFVAMMULBAV-LSDHHAIUSA-N 0 3 320.864 3.435 20 30 DGEDHN C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)NCc1ccccc1Cl ZINC001674668290 1197828101 /nfs/dbraw/zinc/82/81/01/1197828101.db2.gz WXPYDUULENRJBJ-UONOGXRCSA-N 0 3 320.864 3.372 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1OC ZINC001674717011 1197844630 /nfs/dbraw/zinc/84/46/30/1197844630.db2.gz RFUXEIBPXBKYOR-LSDHHAIUSA-N 0 3 318.461 3.199 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674723186 1197849025 /nfs/dbraw/zinc/84/90/25/1197849025.db2.gz WJNNJMLGFAOPTE-OLZOCXBDSA-N 0 3 319.424 3.116 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2cccc(Cl)n2)C1 ZINC001674729888 1197852626 /nfs/dbraw/zinc/85/26/26/1197852626.db2.gz XBGKIZGPHQDSDO-QWHCGFSZSA-N 0 3 321.852 3.074 20 30 DGEDHN C[C@@H](NC(=O)CCC1(C)CC1)[C@H](C)NCC#Cc1ccccc1 ZINC001674749033 1197857912 /nfs/dbraw/zinc/85/79/12/1197857912.db2.gz UPTLGFVRNNOWDR-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCOc1ccccc1C ZINC001674976915 1197941173 /nfs/dbraw/zinc/94/11/73/1197941173.db2.gz UHWWPYZZSQNZCH-MRXNPFEDSA-N 0 3 318.461 3.023 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2cccc(C)c2)cc1 ZINC001674975339 1197941455 /nfs/dbraw/zinc/94/14/55/1197941455.db2.gz KAPJINLIZJLCTF-QGZVFWFLSA-N 0 3 320.436 3.227 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(CC)c(CCC)s1 ZINC001675043165 1197976650 /nfs/dbraw/zinc/97/66/50/1197976650.db2.gz QLCHEDCUQYCWGD-CYBMUJFWSA-N 0 3 308.491 3.499 20 30 DGEDHN C=C(C)CC[NH2+][C@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001675120373 1197988473 /nfs/dbraw/zinc/98/84/73/1197988473.db2.gz OYAPFWDJTPIJHH-QGZVFWFLSA-N 0 3 318.461 3.435 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001675348906 1198049447 /nfs/dbraw/zinc/04/94/47/1198049447.db2.gz JRLZFWRVHSUDOR-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H](C)C1CN(CCCF)C1)c1ccccc1 ZINC001675364363 1198055990 /nfs/dbraw/zinc/05/59/90/1198055990.db2.gz UWENHVKTBXWSGA-CRAIPNDOSA-N 0 3 318.436 3.142 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001675369902 1198056451 /nfs/dbraw/zinc/05/64/51/1198056451.db2.gz VRFUGFRCKISAKC-CABCVRRESA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)c2ccccc2)C(C)(C)C1 ZINC001675486436 1198078483 /nfs/dbraw/zinc/07/84/83/1198078483.db2.gz MAASCARKXNKFOJ-KRWDZBQOSA-N 0 3 314.473 3.367 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCF)CC2(C)C)CCCC1 ZINC001675492500 1198080297 /nfs/dbraw/zinc/08/02/97/1198080297.db2.gz JDBCRNVGBBNOTA-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](CCCC)C(C)C)C(C)(C)C1 ZINC001675485470 1198079232 /nfs/dbraw/zinc/07/92/32/1198079232.db2.gz DTLPRLFZOOSWMK-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(C)(C)CC)C[C@H]2C1 ZINC001675643895 1198102504 /nfs/dbraw/zinc/10/25/04/1198102504.db2.gz WZYIBBAPMAPNKF-KKUMJFAQSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNCc1nc(C)cs1 ZINC001675948424 1198178258 /nfs/dbraw/zinc/17/82/58/1198178258.db2.gz SYSBKHRQIBAPKR-CYBMUJFWSA-N 0 3 323.506 3.428 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](NC/C(Cl)=C\Cl)C(C)C ZINC001676158826 1198238799 /nfs/dbraw/zinc/23/87/99/1198238799.db2.gz VGXQNXPCSDYOFS-KADHNRKRSA-N 0 3 319.276 3.085 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001676732060 1198375972 /nfs/dbraw/zinc/37/59/72/1198375972.db2.gz WMOJDHBWYFESSA-INIZCTEOSA-N 0 3 321.852 3.045 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(C)nc2C)C[C@H]1C ZINC001676757358 1198382502 /nfs/dbraw/zinc/38/25/02/1198382502.db2.gz XUXLQGGRVMDDNA-CRAIPNDOSA-N 0 3 315.461 3.134 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC001676791297 1198389865 /nfs/dbraw/zinc/38/98/65/1198389865.db2.gz UKHKZTNALXZVEL-KXBFYZLASA-N 0 3 312.457 3.027 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](CCC)C(C)C)CCC[C@H]12 ZINC001676813606 1198397128 /nfs/dbraw/zinc/39/71/28/1198397128.db2.gz AZKLSUCELCJISR-JENIJYKNSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(C)s2)[C@@H]1C ZINC001676897841 1198427795 /nfs/dbraw/zinc/42/77/95/1198427795.db2.gz HEFVQWGWVRVKDP-HOCLYGCPSA-N 0 3 306.475 3.144 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2nc(C)cs2)C1 ZINC001676930776 1198437571 /nfs/dbraw/zinc/43/75/71/1198437571.db2.gz AJKBTJKVNCSHPI-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN Cc1cc(C)cc(CN(C)CCN(C(=O)[C@H](C)C#N)C(C)C)c1 ZINC001677191713 1198481756 /nfs/dbraw/zinc/48/17/56/1198481756.db2.gz RCDVWUMQZHBBOY-QGZVFWFLSA-N 0 3 315.461 3.132 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1coc(C(F)F)c1)C(C)C ZINC001677208519 1198487318 /nfs/dbraw/zinc/48/73/18/1198487318.db2.gz FCHXUHPQXUEVOM-UHFFFAOYSA-N 0 3 312.360 3.023 20 30 DGEDHN C#CCCCC(=O)N(C)C1CC(N[C@H](C)c2ccccc2F)C1 ZINC001677393381 1198526729 /nfs/dbraw/zinc/52/67/29/1198526729.db2.gz JHIKSHJZYJEBPT-QQFBHYJXSA-N 0 3 316.420 3.269 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001677430747 1198533579 /nfs/dbraw/zinc/53/35/79/1198533579.db2.gz CGNMWMHXZJBCMW-UHFFFAOYSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccc(F)cc2)CC1 ZINC001678690579 1198717261 /nfs/dbraw/zinc/71/72/61/1198717261.db2.gz ACDFSHCHYUROEH-QGZVFWFLSA-N 0 3 319.424 3.226 20 30 DGEDHN C#Cc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC001681090551 1198943850 /nfs/dbraw/zinc/94/38/50/1198943850.db2.gz KLXPEAKOSAXGSM-IBGZPJMESA-N 0 3 321.424 3.401 20 30 DGEDHN C#Cc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC001681090552 1198943989 /nfs/dbraw/zinc/94/39/89/1198943989.db2.gz KLXPEAKOSAXGSM-LJQANCHMSA-N 0 3 321.424 3.401 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001683979766 1199325110 /nfs/dbraw/zinc/32/51/10/1199325110.db2.gz RIFPYJSRRMAWER-SJLPKXTDSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCCC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC001684893305 1199423216 /nfs/dbraw/zinc/42/32/16/1199423216.db2.gz CEFPHUQVRVFVCF-JQHSSLGASA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCCC1(CNC(=O)NC[C@H]2CCCCN2C)CCCC1 ZINC001687039755 1199614088 /nfs/dbraw/zinc/61/40/88/1199614088.db2.gz 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ZINC001753995122 1200062651 /nfs/dbraw/zinc/06/26/51/1200062651.db2.gz HKMHOAILVPXLIQ-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(F)c(Cl)c1 ZINC001753994463 1200063661 /nfs/dbraw/zinc/06/36/61/1200063661.db2.gz UUAUSEWWZMTUSQ-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(CC)(CC)CC)CC(C)(C)C1 ZINC001689365274 1200114535 /nfs/dbraw/zinc/11/45/35/1200114535.db2.gz CCTOCZKEBRNJRC-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001754240246 1200147690 /nfs/dbraw/zinc/14/76/90/1200147690.db2.gz JOBHKKUGDVEKEO-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001754239971 1200147799 /nfs/dbraw/zinc/14/77/99/1200147799.db2.gz YJWWTDNYQUMYQG-ZIAGYGMSSA-N 0 3 322.399 3.314 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001754266144 1200162668 /nfs/dbraw/zinc/16/26/68/1200162668.db2.gz JHLKMBFOVNRYPE-GOFCXVBSSA-N 0 3 318.848 3.142 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001754266145 1200163512 /nfs/dbraw/zinc/16/35/12/1200163512.db2.gz JHLKMBFOVNRYPE-SZGZABIGSA-N 0 3 318.848 3.142 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CCC=CCCC1 ZINC001754272398 1200165199 /nfs/dbraw/zinc/16/51/99/1200165199.db2.gz HVSKKAJSWJFXKB-AZUAARDMSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccccc1N(C)C ZINC001754311906 1200197571 /nfs/dbraw/zinc/19/75/71/1200197571.db2.gz UDGBFEXPPJYUAJ-MRXNPFEDSA-N 0 3 317.477 3.045 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2ccccc2cc1F ZINC001754315793 1200202523 /nfs/dbraw/zinc/20/25/23/1200202523.db2.gz MTYICNNTCHIENM-CYBMUJFWSA-N 0 3 300.377 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNCc1nccs1 ZINC001754344837 1200236509 /nfs/dbraw/zinc/23/65/09/1200236509.db2.gz GNFOCMKOPAAAKE-UONOGXRCSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001754402782 1200253870 /nfs/dbraw/zinc/25/38/70/1200253870.db2.gz 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/nfs/dbraw/zinc/33/28/59/1200332859.db2.gz ANIISEBBQDANTQ-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccccc2-c2ccccc2)CC1 ZINC001754532885 1200344652 /nfs/dbraw/zinc/34/46/52/1200344652.db2.gz PUSHNBJIYXFFQJ-UHFFFAOYSA-N 0 3 318.420 3.229 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001754556982 1200361256 /nfs/dbraw/zinc/36/12/56/1200361256.db2.gz LZJROCZYTPYPIA-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001754561775 1200366008 /nfs/dbraw/zinc/36/60/08/1200366008.db2.gz DELQCHLOQXBRQE-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@H](C)C1CCCCC1)C1CC1 ZINC001690009421 1200366700 /nfs/dbraw/zinc/36/67/00/1200366700.db2.gz VRHJXXAKTQOKRU-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC23CCN(C/C=C\Cl)CC3)CCC1 ZINC001690125896 1200408716 /nfs/dbraw/zinc/40/87/16/1200408716.db2.gz JIRDTWHJUZNQNA-OZVSCIAHSA-N 0 3 322.880 3.456 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001754631748 1200408749 /nfs/dbraw/zinc/40/87/49/1200408749.db2.gz ARJCUVWHJIXCQD-FLIBITNWSA-N 0 3 310.441 3.036 20 30 DGEDHN C#CCN(C(=O)C1=CCCCCC1)C1CCN(CC(=C)C)CC1 ZINC001754636562 1200409715 /nfs/dbraw/zinc/40/97/15/1200409715.db2.gz VSOVXFMRNYNMRJ-UHFFFAOYSA-N 0 3 314.473 3.379 20 30 DGEDHN C#CCN(C(=O)c1ccc(Cl)cc1)C1CCN(CC=C)CC1 ZINC001754642285 1200411692 /nfs/dbraw/zinc/41/16/92/1200411692.db2.gz LWPDVYKRNAEFDB-UHFFFAOYSA-N 0 3 316.832 3.066 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCC2CCCCC2)CC1 ZINC001690131783 1200412595 /nfs/dbraw/zinc/41/25/95/1200412595.db2.gz ZVJXZSDVIWIPDR-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN O=C(CCC1CCC1)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001690147011 1200420375 /nfs/dbraw/zinc/42/03/75/1200420375.db2.gz CCIHPQAYMHUJRY-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCCCN1CC[C@](C)(NC(=O)c2cnc(C)s2)C1 ZINC001754667068 1200428630 /nfs/dbraw/zinc/42/86/30/1200428630.db2.gz KXZWJGLVFNDMMZ-KRWDZBQOSA-N 0 3 321.490 3.392 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001754682129 1200440763 /nfs/dbraw/zinc/44/07/63/1200440763.db2.gz JBQDOKUNRCMNEO-KBXCAEBGSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@](C)(CNCc2ncc(C)s2)C1 ZINC001754704465 1200455258 /nfs/dbraw/zinc/45/52/58/1200455258.db2.gz INJFUQOIZFFTJK-KRWDZBQOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H]1CN(CC)CCC1(F)F)c1ccccc1 ZINC001754745196 1200483773 /nfs/dbraw/zinc/48/37/73/1200483773.db2.gz VQOSDNHLAWEPKT-JKSUJKDBSA-N 0 3 322.399 3.050 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)C=C)c1ccccc1CC ZINC001754785394 1200488257 /nfs/dbraw/zinc/48/82/57/1200488257.db2.gz LBPRDOHAKDHGBK-GOSISDBHSA-N 0 3 312.457 3.231 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001690387366 1200530671 /nfs/dbraw/zinc/53/06/71/1200530671.db2.gz ODKZUVYUMQPGEN-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)n2cccc2)cc1 ZINC001754947018 1200548259 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CC#CCN(C)CCCN(C)C(=O)c1ccccc1CC(C)C ZINC001755048164 1200620304 /nfs/dbraw/zinc/62/03/04/1200620304.db2.gz WNTNTHFDYOJMPG-UHFFFAOYSA-N 0 3 314.473 3.302 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)Cc3ccoc3)cc2C1 ZINC001755100771 1200634372 /nfs/dbraw/zinc/63/43/72/1200634372.db2.gz GLPGCOALQLCFIM-UHFFFAOYSA-N 0 3 324.424 3.420 20 30 DGEDHN CC(C)(C)C#CC(=O)NCc1ccc2c(c1)CN(CCC1CC1)C2 ZINC001755100924 1200635573 /nfs/dbraw/zinc/63/55/73/1200635573.db2.gz LPVQOSZQNHAVIF-UHFFFAOYSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccsc2)C(C)(C)C1 ZINC001755137929 1200656537 /nfs/dbraw/zinc/65/65/37/1200656537.db2.gz GTPIQAKOGAVBJT-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCc2ccccc2)C[C@@H]1C ZINC001755163013 1200667813 /nfs/dbraw/zinc/66/78/13/1200667813.db2.gz CBBBURCCKAKTEV-PKOBYXMFSA-N 0 3 312.457 3.002 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC001755169273 1200674817 /nfs/dbraw/zinc/67/48/17/1200674817.db2.gz LZZBUOQLTFOSHN-MAUKXSAKSA-N 0 3 315.461 3.134 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC001755169275 1200676506 /nfs/dbraw/zinc/67/65/06/1200676506.db2.gz LZZBUOQLTFOSHN-YJBOKZPZSA-N 0 3 315.461 3.134 20 30 DGEDHN CCCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H](C)C#N ZINC001755172756 1200677688 /nfs/dbraw/zinc/67/76/88/1200677688.db2.gz XMTPXWCDBNIHCF-CRAIPNDOSA-N 0 3 313.445 3.052 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C)s1 ZINC001755185411 1200683764 /nfs/dbraw/zinc/68/37/64/1200683764.db2.gz FWYYOSKRMYZMIA-SJLPKXTDSA-N 0 3 324.449 3.065 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1c(C)cccc1Cl ZINC001755194209 1200691860 /nfs/dbraw/zinc/69/18/60/1200691860.db2.gz PENHMMMIQFXRRQ-OAHLLOKOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccccc1C1(C)CC1 ZINC001755198504 1200696765 /nfs/dbraw/zinc/69/67/65/1200696765.db2.gz BEGLNHJPZYESAG-INIZCTEOSA-N 0 3 312.457 3.461 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001755222448 1200712717 /nfs/dbraw/zinc/71/27/17/1200712717.db2.gz DKQBIRMWNRGKID-HUUCEWRRSA-N 0 3 318.848 3.141 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001755229682 1200718823 /nfs/dbraw/zinc/71/88/23/1200718823.db2.gz DSCCUYHNDLRLRH-RZAHBXAWSA-N 0 3 318.848 3.141 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001690824529 1200737026 /nfs/dbraw/zinc/73/70/26/1200737026.db2.gz GNHUOXLWLQCRDT-MJGOQNOKSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001690826857 1200738784 /nfs/dbraw/zinc/73/87/84/1200738784.db2.gz POKOHZXZNTVSBB-IEJURRBGSA-N 0 3 324.468 3.344 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)NCc1cc(F)ccc1Cl ZINC001690836033 1200742985 /nfs/dbraw/zinc/74/29/85/1200742985.db2.gz SCFMZZFIKZOHJX-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1sccc1C1CC1 ZINC001690878423 1200760326 /nfs/dbraw/zinc/76/03/26/1200760326.db2.gz YVRHCWYZJIELOS-NSHDSACASA-N 0 3 312.866 3.476 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNCC(=C)Cl ZINC001755282610 1200761137 /nfs/dbraw/zinc/76/11/37/1200761137.db2.gz ZEAAMTUQVQWUIL-UHFFFAOYSA-N 0 3 300.874 3.415 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001755320372 1200808759 /nfs/dbraw/zinc/80/87/59/1200808759.db2.gz ZLMUKRYOSBSLHT-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001691814564 1200820681 /nfs/dbraw/zinc/82/06/81/1200820681.db2.gz AOGULHZATXGVGO-KKUMJFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@H](NCc1nocc1C)C(C)C ZINC001755341325 1200827551 /nfs/dbraw/zinc/82/75/51/1200827551.db2.gz FUTHHEITCXEUCU-HNNXBMFYSA-N 0 3 321.465 3.158 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)o2)CCCCC1 ZINC001755346787 1200830232 /nfs/dbraw/zinc/83/02/32/1200830232.db2.gz PJLYDRYYCWBIDS-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=CCOCC(=O)N(CCC)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001691846437 1200836588 /nfs/dbraw/zinc/83/65/88/1200836588.db2.gz XFNLEUAZWAHFBA-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001755363683 1200847781 /nfs/dbraw/zinc/84/77/81/1200847781.db2.gz MWADOGDGSOIYIA-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001755389568 1200872461 /nfs/dbraw/zinc/87/24/61/1200872461.db2.gz ZHNUFFBIHXBLEY-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC(CC)CC)C1 ZINC001691933239 1200878224 /nfs/dbraw/zinc/87/82/24/1200878224.db2.gz XIOBIUQTTCJWFE-LSDHHAIUSA-N 0 3 300.874 3.440 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)c2cnco2)C(C)(C)C1 ZINC001755410138 1200886479 /nfs/dbraw/zinc/88/64/79/1200886479.db2.gz LTODZTKEPJBMPK-HNNXBMFYSA-N 0 3 307.438 3.085 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CC(=C)C)CC1(C)C)c1ccccc1 ZINC001755416832 1200890572 /nfs/dbraw/zinc/89/05/72/1200890572.db2.gz XNSOZBBRIDOPTA-QZTJIDSGSA-N 0 3 312.457 3.359 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001691972363 1200894711 /nfs/dbraw/zinc/89/47/11/1200894711.db2.gz QYXSJGCWXCZKTB-IBGZPJMESA-N 0 3 324.468 3.009 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1C[C@H](CNCC(=C)Cl)C1)c1ccccc1 ZINC001755483731 1200915861 /nfs/dbraw/zinc/91/58/61/1200915861.db2.gz UCGFSRWBSHFCQQ-XIRDDKMYSA-N 0 3 318.848 3.193 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C=C1CCC1 ZINC001755492815 1200920956 /nfs/dbraw/zinc/92/09/56/1200920956.db2.gz LOHMCHZSASPRRR-HNNXBMFYSA-N 0 3 311.429 3.043 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1occc1Cl ZINC001755514106 1200927864 /nfs/dbraw/zinc/92/78/64/1200927864.db2.gz BEFKDBJSICNOMH-SNVBAGLBSA-N 0 3 305.205 3.174 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1(C(C)(F)F)CC1 ZINC001755514886 1200929616 /nfs/dbraw/zinc/92/96/16/1200929616.db2.gz AZPZBNCYZWAZAF-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C[C@H](C)OC)C2)CCCCC1 ZINC001692162330 1200955529 /nfs/dbraw/zinc/95/55/29/1200955529.db2.gz OYYNPUZFCDQVQQ-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(F)F)nc1 ZINC001692251785 1200986703 /nfs/dbraw/zinc/98/67/03/1200986703.db2.gz BSHDSECWGMKMDP-AWEZNQCLSA-N 0 3 323.387 3.132 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CC(C)(C)C1CCCCC1 ZINC001755610354 1200988543 /nfs/dbraw/zinc/98/85/43/1200988543.db2.gz MZGGZYYDOIJPBJ-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@@H](CN(C)C(=O)C1CCC=CCC1)NCC#Cc1ccccc1 ZINC001755618504 1200995966 /nfs/dbraw/zinc/99/59/66/1200995966.db2.gz VFSCGYIGWPLDCD-SFHVURJKSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001755676505 1201009971 /nfs/dbraw/zinc/00/99/71/1201009971.db2.gz QEZRASDJYQUOFO-HNAYVOBHSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001755701870 1201027574 /nfs/dbraw/zinc/02/75/74/1201027574.db2.gz NGDLHXIFLJVUGD-IEBWSBKVSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC001755713799 1201033986 /nfs/dbraw/zinc/03/39/86/1201033986.db2.gz DKUSNXPMMWADBG-CABCVRRESA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C/c1ccc(F)cc1 ZINC001692368992 1201040635 /nfs/dbraw/zinc/04/06/35/1201040635.db2.gz OPDQWYDYSFKTJM-JDTHPWDHSA-N 0 3 314.404 3.090 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)cc1 ZINC001692371123 1201041726 /nfs/dbraw/zinc/04/17/26/1201041726.db2.gz SBDBDKJRHCCHFR-OALUTQOASA-N 0 3 312.457 3.179 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C=C)c1ccccc1 ZINC001692384292 1201046209 /nfs/dbraw/zinc/04/62/09/1201046209.db2.gz HQODKENGHXKQNG-GBESFXJTSA-N 0 3 310.441 3.208 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cncs2)C(C)(C)C1 ZINC001755756387 1201063730 /nfs/dbraw/zinc/06/37/30/1201063730.db2.gz CBZGCUXOHKCLRK-AWEZNQCLSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001755824538 1201089205 /nfs/dbraw/zinc/08/92/05/1201089205.db2.gz BYZQRRBEPKREDJ-CQSZACIVSA-N 0 3 309.479 3.120 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H]3CCC[C@@H]3C)CC2)CC1 ZINC001755868691 1201115514 /nfs/dbraw/zinc/11/55/14/1201115514.db2.gz CYLJPRMTTVXTFJ-DLBZAZTESA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@H](CC)C(C)C)CC2)CC1 ZINC001755869492 1201116699 /nfs/dbraw/zinc/11/66/99/1201116699.db2.gz IGSCQSLJEHLMNM-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cc(Cl)c[nH]2)c(F)c1 ZINC001755900657 1201124976 /nfs/dbraw/zinc/12/49/76/1201124976.db2.gz NPELAWSCOHYSJW-UHFFFAOYSA-N 0 3 321.783 3.013 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)CCC(F)(F)F)c(F)c1 ZINC001755900914 1201125144 /nfs/dbraw/zinc/12/51/44/1201125144.db2.gz XPBRQDOUVOMFIB-UHFFFAOYSA-N 0 3 318.314 3.060 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001698567562 1201236783 /nfs/dbraw/zinc/23/67/83/1201236783.db2.gz SQBWLDYEOJIAPK-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC2(C)CCCCC2)C1 ZINC001698582085 1201257863 /nfs/dbraw/zinc/25/78/63/1201257863.db2.gz CPRMWKFPZCGETH-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)c2cccs2)C1 ZINC001698587628 1201260671 /nfs/dbraw/zinc/26/06/71/1201260671.db2.gz XHLJOOBOBWLKGW-GJZGRUSLSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001698586508 1201262020 /nfs/dbraw/zinc/26/20/20/1201262020.db2.gz QGILXEQFEQUFIG-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001698588050 1201262994 /nfs/dbraw/zinc/26/29/94/1201262994.db2.gz MPBBLIOHUJJXLE-UONOGXRCSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccnc(Cl)c1 ZINC001698614301 1201285907 /nfs/dbraw/zinc/28/59/07/1201285907.db2.gz ZHYGWQTZSGDNLF-RHSMWYFYSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1cccc(Cl)n1 ZINC001698619125 1201289791 /nfs/dbraw/zinc/28/97/91/1201289791.db2.gz CNWDEIGPHQVHKO-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CC1(CC(=O)N[C@@](C)(CNCCF)C2CC2)CCCCC1 ZINC001698651252 1201316858 /nfs/dbraw/zinc/31/68/58/1201316858.db2.gz JJECVRBOCGHVNY-KRWDZBQOSA-N 0 3 310.457 3.357 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H](C)c1ccco1)C1CC1 ZINC001698653128 1201318358 /nfs/dbraw/zinc/31/83/58/1201318358.db2.gz OEEVTYPYAJICOQ-SJCJKPOMSA-N 0 3 324.852 3.400 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001698659001 1201323512 /nfs/dbraw/zinc/32/35/12/1201323512.db2.gz ARNRGBLNGBXETH-HNNXBMFYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc[nH]c1C(C)C)C1CC1 ZINC001698678405 1201331163 /nfs/dbraw/zinc/33/11/63/1201331163.db2.gz XYEGTMXCCIZNST-KRWDZBQOSA-N 0 3 323.868 3.379 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cscn2)[C@@H](C)C1 ZINC001698892898 1201555912 /nfs/dbraw/zinc/55/59/12/1201555912.db2.gz PGEXPVJQSPVCPW-ZFWWWQNUSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001698904587 1201564863 /nfs/dbraw/zinc/56/48/63/1201564863.db2.gz JXFSMQFSAYQWMR-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)CC(C)(C)C)C(C)C ZINC001698959241 1201594352 /nfs/dbraw/zinc/59/43/52/1201594352.db2.gz GXEOADMWJMLNCA-GFCCVEGCSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](CC)OC1CCCCC1 ZINC001699001591 1201668606 /nfs/dbraw/zinc/66/86/06/1201668606.db2.gz KMYRMQVTKONHLW-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC001699004471 1201672826 /nfs/dbraw/zinc/67/28/26/1201672826.db2.gz SOOUBOSRBCIQLD-UHFFFAOYSA-N 0 3 311.429 3.057 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1cc(C2CC2)no1 ZINC001699126705 1201721669 /nfs/dbraw/zinc/72/16/69/1201721669.db2.gz OLKFZSUOZJYHBM-CYBMUJFWSA-N 0 3 319.449 3.139 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001752144862 1201784047 /nfs/dbraw/zinc/78/40/47/1201784047.db2.gz YNFWWSPYNLXWSB-GDBMZVCRSA-N 0 3 321.852 3.115 20 30 DGEDHN C[C@H](CNCc1ccc(F)c(Cl)c1)NC(=O)C#CC(C)(C)C ZINC001699358924 1201808431 /nfs/dbraw/zinc/80/84/31/1201808431.db2.gz PCAOKKKLKRIEMK-GFCCVEGCSA-N 0 3 324.827 3.123 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001699363821 1201811367 /nfs/dbraw/zinc/81/13/67/1201811367.db2.gz MOOBDWQWMDYJCG-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN[C@@H](C)c2ccccc2F)C1 ZINC001699422835 1201857467 /nfs/dbraw/zinc/85/74/67/1201857467.db2.gz ZGEZNIPCOBMERP-KBPBESRZSA-N 0 3 304.409 3.337 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001752663204 1201887891 /nfs/dbraw/zinc/88/78/91/1201887891.db2.gz FHRYGGJRQAPSQY-IIDMSEBBSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001752757805 1201906656 /nfs/dbraw/zinc/90/66/56/1201906656.db2.gz HYHUIVXFPRIDHN-GASCZTMLSA-N 0 3 306.837 3.433 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C(C)(C)c1ccccc1Cl ZINC001699466477 1201907835 /nfs/dbraw/zinc/90/78/35/1201907835.db2.gz ATAQXSDXXHEHHJ-ZDUSSCGKSA-N 0 3 308.853 3.240 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cnc(C)o1 ZINC001699481002 1201922677 /nfs/dbraw/zinc/92/26/77/1201922677.db2.gz GAYQNIZBNALWKV-DOTOQJQBSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNCc1cscn1 ZINC001699484748 1201923848 /nfs/dbraw/zinc/92/38/48/1201923848.db2.gz QXTFHTHAMJWWTP-ZFWWWQNUSA-N 0 3 321.490 3.120 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001752789607 1201924353 /nfs/dbraw/zinc/92/43/53/1201924353.db2.gz GYERDRKFJUUODK-ICSRJNTNSA-N 0 3 316.489 3.365 20 30 DGEDHN CCC(C)(C)C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001699532138 1201936794 /nfs/dbraw/zinc/93/67/94/1201936794.db2.gz FQZTZRUKDUEIOH-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc(F)c1Cl ZINC001699535854 1201940005 /nfs/dbraw/zinc/94/00/05/1201940005.db2.gz BWKLLWHWUFRVMK-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)c1ccccc1 ZINC001699552520 1201946914 /nfs/dbraw/zinc/94/69/14/1201946914.db2.gz AQETZXSMHMOTAE-UHFFFAOYSA-N 0 3 308.853 3.155 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001752825054 1201953260 /nfs/dbraw/zinc/95/32/60/1201953260.db2.gz KQMGRENSEOVLTD-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2ccccc2F)C2CC2)C1 ZINC001699588398 1201960779 /nfs/dbraw/zinc/96/07/79/1201960779.db2.gz BBFVGHBCHPGCTD-QGZVFWFLSA-N 0 3 316.420 3.166 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CCCCC)C1 ZINC001752839714 1201962559 /nfs/dbraw/zinc/96/25/59/1201962559.db2.gz DIFFIYMOQBOUNR-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2(C=C)CCCCC2)C1 ZINC001752840717 1201966117 /nfs/dbraw/zinc/96/61/17/1201966117.db2.gz LTYYBRDZQNRWPQ-MSOLQXFVSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001752841065 1201967027 /nfs/dbraw/zinc/96/70/27/1201967027.db2.gz OFGUMBFYRABURZ-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001699620907 1201984992 /nfs/dbraw/zinc/98/49/92/1201984992.db2.gz FNYLMLZTKGKFTN-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001699636702 1202003427 /nfs/dbraw/zinc/00/34/27/1202003427.db2.gz IQGMAKAHJMHMPU-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001699663083 1202022127 /nfs/dbraw/zinc/02/21/27/1202022127.db2.gz IFLVPNFMQJBXHK-HNNXBMFYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001752972050 1202029940 /nfs/dbraw/zinc/02/99/40/1202029940.db2.gz SPQXPHJJFDGFFS-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC(C)C ZINC001699682613 1202031479 /nfs/dbraw/zinc/03/14/79/1202031479.db2.gz PSCJNGDELIUXCE-SJORKVTESA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001752978828 1202033648 /nfs/dbraw/zinc/03/36/48/1202033648.db2.gz SDCRDMPXPZFKKV-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001753006190 1202055353 /nfs/dbraw/zinc/05/53/53/1202055353.db2.gz DLRYRPKHMKFHPG-CQSZACIVSA-N 0 3 324.852 3.163 20 30 DGEDHN CCCC(C)(C)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001753012959 1202058820 /nfs/dbraw/zinc/05/88/20/1202058820.db2.gz SLWWPMVQBNGINS-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001699747657 1202064139 /nfs/dbraw/zinc/06/41/39/1202064139.db2.gz FMHHEMVLLQSPJO-ZDUSSCGKSA-N 0 3 317.260 3.080 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001699752849 1202065780 /nfs/dbraw/zinc/06/57/80/1202065780.db2.gz IGGDWHAAVDPSGF-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001699758199 1202068076 /nfs/dbraw/zinc/06/80/76/1202068076.db2.gz LAXXONDFXFJODP-SWLSCSKDSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cc(C)[nH]c1C ZINC001753035906 1202071678 /nfs/dbraw/zinc/07/16/78/1202071678.db2.gz MRTCUSBJSLDUPI-OAHLLOKOSA-N 0 3 323.868 3.358 20 30 DGEDHN C=CCCC(=O)NC1(C)CCN(Cc2ccc(OC)cc2)CC1 ZINC001699768049 1202072739 /nfs/dbraw/zinc/07/27/39/1202072739.db2.gz KPFLRAPNDDBHGS-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC(C)=C(C)C)C2 ZINC001699805362 1202086518 /nfs/dbraw/zinc/08/65/18/1202086518.db2.gz QUIWPZYUPCVMFT-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)CCc1ccccc1Cl ZINC001753059919 1202088981 /nfs/dbraw/zinc/08/89/81/1202088981.db2.gz ALRUABRDLJUTNF-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001699827827 1202103224 /nfs/dbraw/zinc/10/32/24/1202103224.db2.gz ZXGYJZKOLRBCGA-DNVCBOLYSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCCCC(=O)NCC1(C)CCN(C[C@@H](F)CC)CC1 ZINC001699859249 1202116912 /nfs/dbraw/zinc/11/69/12/1202116912.db2.gz QYMHKPOZWDUPLS-INIZCTEOSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc(OC)c(C)c1 ZINC001753090025 1202119380 /nfs/dbraw/zinc/11/93/80/1202119380.db2.gz PLAUYLPQUKGMPD-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001699870812 1202124718 /nfs/dbraw/zinc/12/47/18/1202124718.db2.gz SYMSAOIALPOXHR-IBGZPJMESA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001699870812 1202124721 /nfs/dbraw/zinc/12/47/21/1202124721.db2.gz SYMSAOIALPOXHR-IBGZPJMESA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2scnc2C(C)C)C1 ZINC001699878247 1202134615 /nfs/dbraw/zinc/13/46/15/1202134615.db2.gz QBONDLYJWNPKME-QGZVFWFLSA-N 0 3 321.490 3.284 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1CCOc1ccccc1 ZINC001753106426 1202138445 /nfs/dbraw/zinc/13/84/45/1202138445.db2.gz OHVWTGSAQVURGQ-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001699928462 1202138844 /nfs/dbraw/zinc/13/88/44/1202138844.db2.gz SWONWPYPVXNRBP-ZERXYNDKSA-N 0 3 310.869 3.310 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccoc1)c1ccccc1CC ZINC001699931463 1202139294 /nfs/dbraw/zinc/13/92/94/1202139294.db2.gz DWUYGDDTRMQLOJ-GOSISDBHSA-N 0 3 312.413 3.479 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C3(CCC)CC3)C2)CC1 ZINC001699937090 1202142517 /nfs/dbraw/zinc/14/25/17/1202142517.db2.gz ZQAMFNCQNOCWGY-SFHVURJKSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccco1 ZINC001699984126 1202157863 /nfs/dbraw/zinc/15/78/63/1202157863.db2.gz ZFVXKLAUIMLGME-QGZVFWFLSA-N 0 3 324.424 3.025 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001700019937 1202166833 /nfs/dbraw/zinc/16/68/33/1202166833.db2.gz YRDZIGXGVIAZCO-RCCFBDPRSA-N 0 3 322.468 3.241 20 30 DGEDHN CCCN(CCNC(=O)[C@H](C)C(C)C)Cc1ccc(C#N)cc1 ZINC001753149270 1202167919 /nfs/dbraw/zinc/16/79/19/1202167919.db2.gz YKALKCOILNNBKH-MRXNPFEDSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2sccc2F)C1 ZINC001700058094 1202170744 /nfs/dbraw/zinc/17/07/44/1202170744.db2.gz OWCDZMUZQDAWIL-NSHDSACASA-N 0 3 316.829 3.082 20 30 DGEDHN C=CCN(CCNC(=O)c1cn(CC)c2ccccc12)C1CC1 ZINC001753157356 1202172945 /nfs/dbraw/zinc/17/29/45/1202172945.db2.gz GVWAYDWCBOWKAG-UHFFFAOYSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cc1cccc(C)c1 ZINC001700091818 1202177300 /nfs/dbraw/zinc/17/73/00/1202177300.db2.gz PICZCBJAMMZIPD-UHFFFAOYSA-N 0 3 322.452 3.472 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CC1CC(F)(F)C1 ZINC001700091688 1202177823 /nfs/dbraw/zinc/17/78/23/1202177823.db2.gz SPAQTOVUAZXCLU-UHFFFAOYSA-N 0 3 322.399 3.356 20 30 DGEDHN CC[C@H](F)CN[C@H](C)c1ccc(CNC(=O)C#CC(C)C)cc1 ZINC001700096588 1202179848 /nfs/dbraw/zinc/17/98/48/1202179848.db2.gz WFHVYJZNVOPMGP-QAPCUYQASA-N 0 3 318.436 3.361 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2coc(C)c2)cc1 ZINC001700096218 1202180064 /nfs/dbraw/zinc/18/00/64/1202180064.db2.gz PCEBECDYKIZSRX-HNNXBMFYSA-N 0 3 310.397 3.192 20 30 DGEDHN CC[C@H](F)CN[C@@H](C)c1ccc(CNC(=O)C#CC(C)C)cc1 ZINC001700096589 1202180156 /nfs/dbraw/zinc/18/01/56/1202180156.db2.gz WFHVYJZNVOPMGP-YJBOKZPZSA-N 0 3 318.436 3.361 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)C2CC2)cc1 ZINC001700099088 1202180721 /nfs/dbraw/zinc/18/07/21/1202180721.db2.gz KGWVCDNNNVNWIF-CVEARBPZSA-N 0 3 312.457 3.413 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1cc(F)ccc1C ZINC001753194075 1202182699 /nfs/dbraw/zinc/18/26/99/1202182699.db2.gz GYFDUVFMCKJBTN-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@]3(C)C=CCC3)cccc2C1 ZINC001700122536 1202183665 /nfs/dbraw/zinc/18/36/65/1202183665.db2.gz CZVUOTIXFJZPIP-OAQYLSRUSA-N 0 3 322.452 3.041 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CC(C)(C)C)cccc2C1 ZINC001700123320 1202183956 /nfs/dbraw/zinc/18/39/56/1202183956.db2.gz QAXBWYPVQDWYHG-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN CC#CCNCCN(C)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001753264921 1202191128 /nfs/dbraw/zinc/19/11/28/1202191128.db2.gz HXAPIJNNJHYBMA-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCNC1(CNC(=O)C/C=C\c2ccc(C)cc2)CCC1 ZINC001700143584 1202191877 /nfs/dbraw/zinc/19/18/77/1202191877.db2.gz IVKTWMAHCLNJBK-ALCCZGGFSA-N 0 3 310.441 3.050 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001700175808 1202195576 /nfs/dbraw/zinc/19/55/76/1202195576.db2.gz DICJVWTVLXWDJD-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001700177089 1202196127 /nfs/dbraw/zinc/19/61/27/1202196127.db2.gz AORKLNQVQWRGDM-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C(F)F)c1ccc(C(C)C)cc1 ZINC001753294605 1202198702 /nfs/dbraw/zinc/19/87/02/1202198702.db2.gz RDEBLYLSVNHDDG-OAHLLOKOSA-N 0 3 310.388 3.398 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C(F)F)c1ccc(C(C)C)cc1 ZINC001753294604 1202198920 /nfs/dbraw/zinc/19/89/20/1202198920.db2.gz RDEBLYLSVNHDDG-HNNXBMFYSA-N 0 3 310.388 3.398 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)cc1)c1ccccc1 ZINC001753302771 1202201018 /nfs/dbraw/zinc/20/10/18/1202201018.db2.gz JEAPKWGCTDYAGD-IBGZPJMESA-N 0 3 306.409 3.079 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001753306857 1202202115 /nfs/dbraw/zinc/20/21/15/1202202115.db2.gz MMARVRMTTCKKDU-IYBDPMFKSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2ccoc2Cl)C1 ZINC001753316204 1202205444 /nfs/dbraw/zinc/20/54/44/1202205444.db2.gz NLRYLZRWJGQZGL-CYBMUJFWSA-N 0 3 310.825 3.436 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C3CC3)no2)C1 ZINC001753319129 1202207910 /nfs/dbraw/zinc/20/79/10/1202207910.db2.gz AWDRXKZLILCURZ-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(Cc2cnc(C)s2)C1 ZINC001753332009 1202215191 /nfs/dbraw/zinc/21/51/91/1202215191.db2.gz FWWGTMMTLXICAK-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)/C=C(\C)CC ZINC001700227245 1202215399 /nfs/dbraw/zinc/21/53/99/1202215399.db2.gz MIHHEGCBVHTUQA-BAILOTOSSA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](C)C(C)(F)F)cc2C1 ZINC001700252322 1202217493 /nfs/dbraw/zinc/21/74/93/1202217493.db2.gz GRDRXFBVDIMMGS-CYBMUJFWSA-N 0 3 322.399 3.486 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(C)Cc2ccccc2F)CC1 ZINC001753363333 1202229908 /nfs/dbraw/zinc/22/99/08/1202229908.db2.gz NHKMPMKRFJOBIO-UHFFFAOYSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001700315061 1202233431 /nfs/dbraw/zinc/23/34/31/1202233431.db2.gz BWYACFOHHYPVST-ZFWWWQNUSA-N 0 3 306.475 3.429 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001700348367 1202243845 /nfs/dbraw/zinc/24/38/45/1202243845.db2.gz PXPSVZFJKIUWTD-SLEKKXSGSA-N 0 3 310.441 3.457 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(F)c1 ZINC001700359546 1202247894 /nfs/dbraw/zinc/24/78/94/1202247894.db2.gz PCIDUDPDIAIQBE-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccn2c1 ZINC001753424614 1202249609 /nfs/dbraw/zinc/24/96/09/1202249609.db2.gz FEFHXSVILJQLME-SNRMKQJTSA-N 0 3 323.440 3.193 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1cccc(F)c1 ZINC001700366380 1202252510 /nfs/dbraw/zinc/25/25/10/1202252510.db2.gz UPMGDMZEBVJFGM-WMLDXEAASA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001700366915 1202252846 /nfs/dbraw/zinc/25/28/46/1202252846.db2.gz ZZUHJVQEXAWDDG-QZTJIDSGSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001753434927 1202254080 /nfs/dbraw/zinc/25/40/80/1202254080.db2.gz ZIGFSJQSFIKBMC-SFHVURJKSA-N 0 3 323.440 3.234 20 30 DGEDHN CC[C@H](CNC(=O)CCC(C)C)NCc1ccc(C#N)s1 ZINC001753465394 1202266261 /nfs/dbraw/zinc/26/62/61/1202266261.db2.gz ZLDYFVBDYGUKKS-CYBMUJFWSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1ccc(Cl)cc1F ZINC001753472065 1202268700 /nfs/dbraw/zinc/26/87/00/1202268700.db2.gz ZBUJWZLFWHSVCS-OAHLLOKOSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2conc2CC)CCCC1 ZINC001753504242 1202277767 /nfs/dbraw/zinc/27/77/67/1202277767.db2.gz KCOFKZLLCQEYFI-UHFFFAOYSA-N 0 3 319.449 3.112 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)c2ccc(C)o2)CCCC1 ZINC001753508936 1202278562 /nfs/dbraw/zinc/27/85/62/1202278562.db2.gz XQILNJSZUUVWQT-CQSZACIVSA-N 0 3 324.852 3.463 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001700460230 1202281411 /nfs/dbraw/zinc/28/14/11/1202281411.db2.gz LBFAVULKNRJRHB-OAHLLOKOSA-N 0 3 313.445 3.461 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)C2CC=CC2)CCCC[C@@H]1C ZINC001753532617 1202285008 /nfs/dbraw/zinc/28/50/08/1202285008.db2.gz TYRAUJJPYJOXAG-SUMWQHHRSA-N 0 3 310.869 3.360 20 30 DGEDHN O=C(NC1(CNCC#Cc2ccccc2)CCCCC1)C1CCC1 ZINC001700509506 1202298637 /nfs/dbraw/zinc/29/86/37/1202298637.db2.gz PMPCYJVOYVAYFX-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN CCCC[C@H](CNCc1ccccc1F)NC(=O)C#CC1CC1 ZINC001700516486 1202300985 /nfs/dbraw/zinc/30/09/85/1202300985.db2.gz AIOPEZBIORNPBW-QGZVFWFLSA-N 0 3 316.420 3.004 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001753668027 1202309029 /nfs/dbraw/zinc/30/90/29/1202309029.db2.gz RUOZQVMCVAULNK-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCc2cccs2)C1 ZINC001700551934 1202312061 /nfs/dbraw/zinc/31/20/61/1202312061.db2.gz WVHKHGUYZLEDOV-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1cccc(Cl)c1F ZINC001753684317 1202312929 /nfs/dbraw/zinc/31/29/29/1202312929.db2.gz CHTHNSKFAOLVTK-ZDUSSCGKSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCc2ncccc2C)CC1 ZINC001753711868 1202319309 /nfs/dbraw/zinc/31/93/09/1202319309.db2.gz YKAFATOPLJZNMK-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001700616312 1202322810 /nfs/dbraw/zinc/32/28/10/1202322810.db2.gz MGSLJRXSZSLSOU-SJORWSLASA-N 0 3 322.880 3.478 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccccc2CC)C1 ZINC001700639513 1202327203 /nfs/dbraw/zinc/32/72/03/1202327203.db2.gz IKEBAVDZXSEIDS-CTYIDZIISA-N 0 3 306.837 3.100 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001700650802 1202329282 /nfs/dbraw/zinc/32/92/82/1202329282.db2.gz DKSDRMGLFUMQEH-YMDFIQGPSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](CC)SC ZINC001753778811 1202332590 /nfs/dbraw/zinc/33/25/90/1202332590.db2.gz GDKQQRWVMOAMJI-KBPBESRZSA-N 0 3 318.914 3.241 20 30 DGEDHN Cc1ccc(CN[C@@H](CNC(=O)[C@H](C)C#N)C(C)C)c(Cl)c1 ZINC001753825162 1202342460 /nfs/dbraw/zinc/34/24/60/1202342460.db2.gz CRAQMRBMGFBSSC-CJNGLKHVSA-N 0 3 321.852 3.039 20 30 DGEDHN CC(C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C)=C1CCC1 ZINC001753829115 1202343236 /nfs/dbraw/zinc/34/32/36/1202343236.db2.gz JTMXRHKGOMXJLX-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2ccccc2F)C1 ZINC001700766342 1202350973 /nfs/dbraw/zinc/35/09/73/1202350973.db2.gz FYZSGKBNVOUBLD-CQSZACIVSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001700820446 1202355684 /nfs/dbraw/zinc/35/56/84/1202355684.db2.gz CFYAZFVMMZCIBT-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(CCC)c(C)s2)C1 ZINC001700850025 1202358779 /nfs/dbraw/zinc/35/87/79/1202358779.db2.gz BPXQVJIZLMTTNV-BBRMVZONSA-N 0 3 318.486 3.225 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCCC(C)C)CCC[C@@H]12 ZINC001700862077 1202360724 /nfs/dbraw/zinc/36/07/24/1202360724.db2.gz ABTLYFQLJHGECQ-MJGOQNOKSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCOC(C)C)[C@H]2C)CCC1 ZINC001700883870 1202365636 /nfs/dbraw/zinc/36/56/36/1202365636.db2.gz WOHHGLLQDYWJNU-IRXDYDNUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](NCc2cccnc2)C(C)(C)C1 ZINC001700922446 1202370686 /nfs/dbraw/zinc/37/06/86/1202370686.db2.gz CANQMMCASXUBOH-INIZCTEOSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CCC(F)(F)C1)C(C)C ZINC001700977170 1202375240 /nfs/dbraw/zinc/37/52/40/1202375240.db2.gz KJEIQEPGOWFXKT-CQSZACIVSA-N 0 3 302.409 3.167 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001701018146 1202382113 /nfs/dbraw/zinc/38/21/13/1202382113.db2.gz YNHXFRBSQQJNMR-IPJUCJBFSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCCCC(=O)NCC1=CCN(Cc2cccc(CC)c2)CC1 ZINC001701048455 1202385233 /nfs/dbraw/zinc/38/52/33/1202385233.db2.gz GQDLDJDMJVJVMV-UHFFFAOYSA-N 0 3 324.468 3.301 20 30 DGEDHN C#CCCCCCC(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001701054816 1202385679 /nfs/dbraw/zinc/38/56/79/1202385679.db2.gz CZCNTCNWXCCVKJ-UHFFFAOYSA-N 0 3 302.462 3.285 20 30 DGEDHN C=CCCCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001705810935 1202566412 /nfs/dbraw/zinc/56/64/12/1202566412.db2.gz LZCAAWZIGPZJBB-UHFFFAOYSA-N 0 3 319.497 3.146 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCC2CC2)CCCC1 ZINC001707055450 1202570281 /nfs/dbraw/zinc/57/02/81/1202570281.db2.gz DSKPMFITHUPZSP-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001707081622 1202572262 /nfs/dbraw/zinc/57/22/62/1202572262.db2.gz MXZIZMCBIKGGHA-KOMQPUFPSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)[C@H]1C ZINC001707258145 1202578815 /nfs/dbraw/zinc/57/88/15/1202578815.db2.gz MGXOZSGVSVUAHZ-VBQJREDUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cnccc1C ZINC001707445252 1202585339 /nfs/dbraw/zinc/58/53/39/1202585339.db2.gz WQWSKKRTKTZYQY-GDBMZVCRSA-N 0 3 321.852 3.115 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cnoc1C ZINC001707447761 1202585685 /nfs/dbraw/zinc/58/56/85/1202585685.db2.gz YIIQWRXUIGVTFJ-RHSMWYFYSA-N 0 3 319.449 3.199 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=C)Cl ZINC001712997492 1202609044 /nfs/dbraw/zinc/60/90/44/1202609044.db2.gz YQRGFNXZWRDZTQ-JKSUJKDBSA-N 0 3 310.869 3.292 20 30 DGEDHN C=C(C)CCC(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001713013878 1202610291 /nfs/dbraw/zinc/61/02/91/1202610291.db2.gz MKBANUWDMPTLHQ-UHFFFAOYSA-N 0 3 312.457 3.223 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCCC[C@@H]1CC)C1CC1 ZINC001713047360 1202612392 /nfs/dbraw/zinc/61/23/92/1202612392.db2.gz MTSHMSQKZRKYCD-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCCC[C@H]1CC)C1CC1 ZINC001713047359 1202612566 /nfs/dbraw/zinc/61/25/66/1202612566.db2.gz MTSHMSQKZRKYCD-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001713094909 1202616473 /nfs/dbraw/zinc/61/64/73/1202616473.db2.gz JLXFHESTCRDGHZ-SJORKVTESA-N 0 3 322.468 3.289 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)CCCCC)CC1 ZINC001713097507 1202616635 /nfs/dbraw/zinc/61/66/35/1202616635.db2.gz UKGPGFHMGGDSGF-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN O=C(CC1CCCCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713153044 1202622443 /nfs/dbraw/zinc/62/24/43/1202622443.db2.gz PUCVXSIZAFOFIR-MXVIHJGJSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001713176136 1202624370 /nfs/dbraw/zinc/62/43/70/1202624370.db2.gz ZYKYPZLVBWEZRT-JQFCIGGWSA-N 0 3 320.864 3.163 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001713179994 1202624690 /nfs/dbraw/zinc/62/46/90/1202624690.db2.gz UQQMZIRVWYWSQH-WZYMTQMTSA-N 0 3 310.457 3.448 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001713211150 1202627419 /nfs/dbraw/zinc/62/74/19/1202627419.db2.gz FCTZCBHDLITTIG-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1ccc(Cl)cc1 ZINC001713253818 1202631732 /nfs/dbraw/zinc/63/17/32/1202631732.db2.gz IIIMFVHVLZADBY-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001713258605 1202632587 /nfs/dbraw/zinc/63/25/87/1202632587.db2.gz AUCNSBGXNRVUSR-MSOLQXFVSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1ccccc1F ZINC001713259503 1202632823 /nfs/dbraw/zinc/63/28/23/1202632823.db2.gz UYUIZZWKJKLZNW-KRWDZBQOSA-N 0 3 318.436 3.305 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCCC ZINC001713271329 1202633817 /nfs/dbraw/zinc/63/38/17/1202633817.db2.gz ZHCLHOYFILZRTQ-ZWKOTPCHSA-N 0 3 304.478 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(CC)CC ZINC001713271443 1202633894 /nfs/dbraw/zinc/63/38/94/1202633894.db2.gz JAYFPFYOPNEOCB-QZTJIDSGSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2ccc(F)c(F)c2)CCC1 ZINC001713336489 1202640294 /nfs/dbraw/zinc/64/02/94/1202640294.db2.gz CDMQNUNVORSWDZ-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2ccc(Cl)nc2)CCC1 ZINC001713337469 1202640465 /nfs/dbraw/zinc/64/04/65/1202640465.db2.gz QYBKDLXNOREUCF-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC001713396551 1202645152 /nfs/dbraw/zinc/64/51/52/1202645152.db2.gz DDTUDOASSHKBEU-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001713417917 1202647507 /nfs/dbraw/zinc/64/75/07/1202647507.db2.gz HTCQMWCVBDXMET-KYJSFNMBSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1c(Cl)cccc1Cl ZINC001713475699 1202655937 /nfs/dbraw/zinc/65/59/37/1202655937.db2.gz ZSOHJLCLRMHXBF-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1CCOC1CCCCCC1 ZINC001713500799 1202661270 /nfs/dbraw/zinc/66/12/70/1202661270.db2.gz OVSMXHFNYYZERE-KRWDZBQOSA-N 0 3 322.493 3.273 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1F ZINC001713514967 1202663427 /nfs/dbraw/zinc/66/34/27/1202663427.db2.gz LIJHZLPYPRXPPJ-WBVHZDCISA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCc1ccccc1F ZINC001713515605 1202663810 /nfs/dbraw/zinc/66/38/10/1202663810.db2.gz XUGLQSHPVGTVKD-RDJZCZTQSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001713516189 1202663823 /nfs/dbraw/zinc/66/38/23/1202663823.db2.gz IYPSMUUTJSYWDJ-FXAWDEMLSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001713524392 1202664912 /nfs/dbraw/zinc/66/49/12/1202664912.db2.gz SXBUMFPXBFJXMM-HNNXBMFYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CSC(C)C)c1ccccc1 ZINC001713696399 1202678146 /nfs/dbraw/zinc/67/81/46/1202678146.db2.gz DYKLFTXZLXMWHY-INIZCTEOSA-N 0 3 306.475 3.151 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC12CC2)c1ccc(C(C)C)cc1 ZINC001713698669 1202678357 /nfs/dbraw/zinc/67/83/57/1202678357.db2.gz QPNVUNMHQKSZPW-MOPGFXCFSA-N 0 3 324.468 3.380 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(C(F)F)CCC1)c1ccccc1 ZINC001713702344 1202678694 /nfs/dbraw/zinc/67/86/94/1202678694.db2.gz UTWXEQDYVOLNSC-OAHLLOKOSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 ZINC001713704217 1202678890 /nfs/dbraw/zinc/67/88/90/1202678890.db2.gz TVXISWNOYSFUSP-WDSOQIARSA-N 0 3 312.457 3.283 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CCC)C(=O)c2cnc(C)s2)C1 ZINC001713712648 1202679740 /nfs/dbraw/zinc/67/97/40/1202679740.db2.gz MLWKRFKZUVQQMT-HNNXBMFYSA-N 0 3 321.490 3.344 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc(Cl)c1F)C1CC1 ZINC001713771386 1202689055 /nfs/dbraw/zinc/68/90/55/1202689055.db2.gz XWVKKJNFHWYZFT-UHFFFAOYSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CCCCCF)C2)CC1 ZINC001713791624 1202691217 /nfs/dbraw/zinc/69/12/17/1202691217.db2.gz LXUZGQLOAUJXRK-QGZVFWFLSA-N 0 3 310.457 3.453 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001713794427 1202691682 /nfs/dbraw/zinc/69/16/82/1202691682.db2.gz SQAYGYRXKMOHPG-ROUUACIJSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001713794557 1202691685 /nfs/dbraw/zinc/69/16/85/1202691685.db2.gz BNEBZPVCXFCZIK-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001713867162 1202697242 /nfs/dbraw/zinc/69/72/42/1202697242.db2.gz CGCLKBQTZZJTDK-LBPRGKRZSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1cc(C)ccc1F)C1CC1 ZINC001713867283 1202697320 /nfs/dbraw/zinc/69/73/20/1202697320.db2.gz DPCRQJOCCXZNKA-SFHVURJKSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001713904172 1202701091 /nfs/dbraw/zinc/70/10/91/1202701091.db2.gz SROIVQVLPHJKCC-RYQLBKOJSA-N 0 3 313.445 3.034 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN([C@@H]3CCc4ccccc43)C2)C1 ZINC001713917226 1202702100 /nfs/dbraw/zinc/70/21/00/1202702100.db2.gz IAHMLYSAERISMK-GOSISDBHSA-N 0 3 310.441 3.078 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001713933266 1202703291 /nfs/dbraw/zinc/70/32/91/1202703291.db2.gz PGJJVYJHEBNFAI-IHRRRGAJSA-N 0 3 313.401 3.014 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1C=CC=CC=C1 ZINC001713933481 1202703405 /nfs/dbraw/zinc/70/34/05/1202703405.db2.gz YAUUMDRWQCTQOP-OALUTQOASA-N 0 3 312.457 3.316 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cn1 ZINC001713937644 1202703881 /nfs/dbraw/zinc/70/38/81/1202703881.db2.gz QBNZVZPOMLMYIC-IRXDYDNUSA-N 0 3 313.445 3.070 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1C[C@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001713967350 1202709625 /nfs/dbraw/zinc/70/96/25/1202709625.db2.gz UBQUWDYWKDGWTQ-ULQDDVLXSA-N 0 3 318.848 3.336 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001713977396 1202712831 /nfs/dbraw/zinc/71/28/31/1202712831.db2.gz XJAFSUWGSXXAIS-ZLAMNEIASA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCc2sccc2C)C1 ZINC001714022253 1202731635 /nfs/dbraw/zinc/73/16/35/1202731635.db2.gz RGTFVJPMEOVBID-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN CCCCCCCN1CC[C@@H](N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001714033350 1202740978 /nfs/dbraw/zinc/74/09/78/1202740978.db2.gz XMUVULQQEOXFRU-MRXNPFEDSA-N 0 3 324.509 3.495 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001714033963 1202741392 /nfs/dbraw/zinc/74/13/92/1202741392.db2.gz KBTLTIFGWSWPEC-HNNXBMFYSA-N 0 3 318.486 3.126 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001714044714 1202747506 /nfs/dbraw/zinc/74/75/06/1202747506.db2.gz BJIJUVPMILILPC-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](C)CCCCCC)C1 ZINC001714044502 1202748230 /nfs/dbraw/zinc/74/82/30/1202748230.db2.gz RDRZKOYXQQSQBE-QZTJIDSGSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1cc(F)ccc1OC ZINC001714095961 1202771331 /nfs/dbraw/zinc/77/13/31/1202771331.db2.gz QNMSNGLTNDGBEQ-OAHLLOKOSA-N 0 3 322.424 3.031 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2C[C@@H](C)OC)CCCC1 ZINC001714120168 1202789010 /nfs/dbraw/zinc/78/90/10/1202789010.db2.gz YWZFOMFRRSWYSX-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001714123612 1202791303 /nfs/dbraw/zinc/79/13/03/1202791303.db2.gz KLNHKUUSYVAXFP-CYEGBWLXSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CC=C)CCC1 ZINC001714146672 1202802673 /nfs/dbraw/zinc/80/26/73/1202802673.db2.gz ZTDNGIYTOXARKX-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001714150541 1202806060 /nfs/dbraw/zinc/80/60/60/1202806060.db2.gz MIULOAOOONDQEN-DOTOQJQBSA-N 0 3 318.486 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC001714203497 1202829862 /nfs/dbraw/zinc/82/98/62/1202829862.db2.gz TXLKAIQEFPUKCK-CVEARBPZSA-N 0 3 323.868 3.020 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](CC)CC(F)F)cc1 ZINC001714319437 1202880035 /nfs/dbraw/zinc/88/00/35/1202880035.db2.gz FIKIZXZFLJONCD-MRXNPFEDSA-N 0 3 322.399 3.097 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001714408867 1202916938 /nfs/dbraw/zinc/91/69/38/1202916938.db2.gz YIBSPDNJTLLMAM-UONOGXRCSA-N 0 3 307.463 3.016 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC001714452547 1202942402 /nfs/dbraw/zinc/94/24/02/1202942402.db2.gz GCHLMRWNULEQHP-HKUYNNGSSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccccc1CC ZINC001714474501 1202953199 /nfs/dbraw/zinc/95/31/99/1202953199.db2.gz AAUSCRZLTRZRIY-CQSZACIVSA-N 0 3 308.853 3.028 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(Cl)cc1F ZINC001714477818 1202954351 /nfs/dbraw/zinc/95/43/51/1202954351.db2.gz PEUFJQQVVMMTAD-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@](C)(F)CCCC)CC2 ZINC001714521580 1202976566 /nfs/dbraw/zinc/97/65/66/1202976566.db2.gz YCMDGHBJLTZXNH-QGZVFWFLSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001714545842 1202991532 /nfs/dbraw/zinc/99/15/32/1202991532.db2.gz PCLNBACEGOIBME-HNNXBMFYSA-N 0 3 318.461 3.407 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC1=CCCCC1 ZINC001714562907 1203005003 /nfs/dbraw/zinc/00/50/03/1203005003.db2.gz MXAIMQWUVOIULO-SFHVURJKSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCCC(=O)NCCN(CC)Cc1ccc2ncccc2c1 ZINC001714578707 1203019466 /nfs/dbraw/zinc/01/94/66/1203019466.db2.gz RRHYVFNOJZYDDX-UHFFFAOYSA-N 0 3 311.429 3.139 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc2cc[nH]c2c1 ZINC001714591033 1203031080 /nfs/dbraw/zinc/03/10/80/1203031080.db2.gz KYGNANYGAISIJP-UHFFFAOYSA-N 0 3 313.445 3.318 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001714599811 1203039566 /nfs/dbraw/zinc/03/95/66/1203039566.db2.gz DINRBQSLUORBIT-CWUFLNSKSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001714616697 1203051064 /nfs/dbraw/zinc/05/10/64/1203051064.db2.gz DTUJMXUJOBBSIE-GOEBONIOSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001714626685 1203060714 /nfs/dbraw/zinc/06/07/14/1203060714.db2.gz XVXKUMGOTRHUDY-DLBZAZTESA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001714642075 1203069841 /nfs/dbraw/zinc/06/98/41/1203069841.db2.gz CJXVVONEGPMMBR-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2cccnc2c1)C1CC1 ZINC001714671951 1203093322 /nfs/dbraw/zinc/09/33/22/1203093322.db2.gz CZGJBYSZUKTFHP-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(Cl)ccc1C)C1CC1 ZINC001714672100 1203093757 /nfs/dbraw/zinc/09/37/57/1203093757.db2.gz FNGLQKRSMAADCW-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001714719662 1203109499 /nfs/dbraw/zinc/10/94/99/1203109499.db2.gz RTNSFCDIVREXDE-GFCCVEGCSA-N 0 3 310.388 3.114 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001714752838 1203118924 /nfs/dbraw/zinc/11/89/24/1203118924.db2.gz QPHAVYQMGSDORD-QGZVFWFLSA-N 0 3 310.388 3.115 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)CCNC/C=C\Cl)c1ccccc1 ZINC001714804631 1203131722 /nfs/dbraw/zinc/13/17/22/1203131722.db2.gz HXTMBQRBZHGRBV-MRDWYFFCSA-N 0 3 306.837 3.147 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC1CCCCC1)c1ccccc1 ZINC001714836936 1203146184 /nfs/dbraw/zinc/14/61/84/1203146184.db2.gz ZKNOPRBYDXWTLO-IBGZPJMESA-N 0 3 312.457 3.427 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccn(CC)c1C)c1ccccc1 ZINC001714840937 1203147238 /nfs/dbraw/zinc/14/72/38/1203147238.db2.gz YKBNFHAJCOIFPV-GOSISDBHSA-N 0 3 311.429 3.063 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1c[nH]cc1C1CC1)c1ccccc1 ZINC001714845988 1203149648 /nfs/dbraw/zinc/14/96/48/1203149648.db2.gz IMOOBVMPPYBFBX-GOSISDBHSA-N 0 3 309.413 3.139 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(CCC)C(=O)c2cncs2)C1 ZINC001714857074 1203156957 /nfs/dbraw/zinc/15/69/57/1203156957.db2.gz QTIDKKFBQUOYEH-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)C(C)(F)F)C1 ZINC001714872979 1203168674 /nfs/dbraw/zinc/16/86/74/1203168674.db2.gz PATRWSCSTQALLF-UONOGXRCSA-N 0 3 302.409 3.167 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)C(C)C)C1 ZINC001714906318 1203190519 /nfs/dbraw/zinc/19/05/19/1203190519.db2.gz OVWYUUTXTJSKES-LJQANCHMSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCCN(C[C@H](C)OC)C2)CCCCC1 ZINC001714922317 1203200764 /nfs/dbraw/zinc/20/07/64/1203200764.db2.gz OKTVLLSNYBFMSM-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1ccns1)CC(C)C ZINC001714926216 1203203522 /nfs/dbraw/zinc/20/35/22/1203203522.db2.gz IUEIBAPHGMTHKF-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN C=CCC1(C(=O)NCC2CN([C@@H]3CCc4ccccc43)C2)CCC1 ZINC001714977802 1203223940 /nfs/dbraw/zinc/22/39/40/1203223940.db2.gz ZMYOOMSZFWDSCZ-LJQANCHMSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CCF)CC1 ZINC001714988644 1203227044 /nfs/dbraw/zinc/22/70/44/1203227044.db2.gz ACCIPPAHZNKPFG-HOTGVXAUSA-N 0 3 308.441 3.158 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)CCCC1 ZINC001714991484 1203228560 /nfs/dbraw/zinc/22/85/60/1203228560.db2.gz IOFGXIPZPHEECJ-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CC=C)CCC1 ZINC001714992404 1203228834 /nfs/dbraw/zinc/22/88/34/1203228834.db2.gz SDAGFGVGBAJOOO-IKGGRYGDSA-N 0 3 302.462 3.373 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001715001662 1203232216 /nfs/dbraw/zinc/23/22/16/1203232216.db2.gz GWAOKEDKLFZYRP-HNNXBMFYSA-N 0 3 307.438 3.066 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001715019599 1203239894 /nfs/dbraw/zinc/23/98/94/1203239894.db2.gz QDSIBMXLLIWMMC-KSSFIOAISA-N 0 3 316.420 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001715031394 1203244814 /nfs/dbraw/zinc/24/48/14/1203244814.db2.gz MKVLOYDOEDXUAI-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)CC1CCC1)C1CC1 ZINC001715108859 1203274954 /nfs/dbraw/zinc/27/49/54/1203274954.db2.gz ARQSGYVHYFVENC-NRFANRHFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC001715117429 1203277521 /nfs/dbraw/zinc/27/75/21/1203277521.db2.gz NVSGQAMPNHTIAP-CVEARBPZSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001715150580 1203285156 /nfs/dbraw/zinc/28/51/56/1203285156.db2.gz ZRNCWMFNURDPTN-XIRDDKMYSA-N 0 3 324.896 3.393 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001715336827 1203318227 /nfs/dbraw/zinc/31/82/27/1203318227.db2.gz KOROCUHLYWTMEM-RXVVDRJESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001715359259 1203324169 /nfs/dbraw/zinc/32/41/69/1203324169.db2.gz KQVCBRMDPUOKTJ-RDTXWAMCSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001715459735 1203344167 /nfs/dbraw/zinc/34/41/67/1203344167.db2.gz GGDPZDUNYXBSNX-RDJZCZTQSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001715459740 1203344345 /nfs/dbraw/zinc/34/43/45/1203344345.db2.gz GGDPZDUNYXBSNX-WBVHZDCISA-N 0 3 316.445 3.189 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)Cc1ccccc1C(C)C ZINC001715517182 1203359085 /nfs/dbraw/zinc/35/90/85/1203359085.db2.gz CROMYNJRMWOJIV-UHFFFAOYSA-N 0 3 314.473 3.360 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(CCC)CCC1)C(C)C ZINC001715718705 1203383771 /nfs/dbraw/zinc/38/37/71/1203383771.db2.gz FKAMECDHCAOZMR-CQSZACIVSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1ccc(C)c(F)c1 ZINC001715731601 1203385311 /nfs/dbraw/zinc/38/53/11/1203385311.db2.gz AMGQNCFTVKGNDH-UHFFFAOYSA-N 0 3 306.425 3.429 20 30 DGEDHN C#CCC1(C(=O)NC[C@H](NCC(=C)Cl)C(C)C)CCCCC1 ZINC001715735661 1203386005 /nfs/dbraw/zinc/38/60/05/1203386005.db2.gz YZNMVJKPILRVCF-INIZCTEOSA-N 0 3 324.896 3.443 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1oc2c(cccc2F)c1C ZINC001715839228 1203396833 /nfs/dbraw/zinc/39/68/33/1203396833.db2.gz LSWBYKHKRJXNRO-UHFFFAOYSA-N 0 3 304.365 3.070 20 30 DGEDHN C=CCCCC(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001715858154 1203398429 /nfs/dbraw/zinc/39/84/29/1203398429.db2.gz HMZYMCNOFQOMRY-QWNKOJSDSA-N 0 3 316.420 3.431 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001715888090 1203401224 /nfs/dbraw/zinc/40/12/24/1203401224.db2.gz GKNYDUQDRYEXLG-DZEZYYDTSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001715960223 1203411736 /nfs/dbraw/zinc/41/17/36/1203411736.db2.gz RKOCMHDKPFPDKF-INIZCTEOSA-N 0 3 302.462 3.319 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001716018938 1203424700 /nfs/dbraw/zinc/42/47/00/1203424700.db2.gz BRNYOIPUWCJMRX-GJZGRUSLSA-N 0 3 306.425 3.017 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716037082 1203430797 /nfs/dbraw/zinc/43/07/97/1203430797.db2.gz BDDLFHQBMMZDDA-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001716141575 1203442822 /nfs/dbraw/zinc/44/28/22/1203442822.db2.gz JRPNCKPYJXBZTK-MELADBBJSA-N 0 3 300.874 3.296 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN[C@H](C)c1cccc(Cl)c1F ZINC001716434707 1203473090 /nfs/dbraw/zinc/47/30/90/1203473090.db2.gz JILKLOOSUZCKEN-QWHCGFSZSA-N 0 3 324.827 3.438 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C)c(F)c1F ZINC001716568291 1203503393 /nfs/dbraw/zinc/50/33/93/1203503393.db2.gz QMDCZCNFIOPLIM-UHFFFAOYSA-N 0 3 316.779 3.077 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nccs2)[C@@H](CC)C1 ZINC001716634572 1203510303 /nfs/dbraw/zinc/51/03/03/1203510303.db2.gz CKJFATVYPGGJTI-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001716654933 1203514279 /nfs/dbraw/zinc/51/42/79/1203514279.db2.gz MPOGQCBBJWPDBU-KBPBESRZSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001716667854 1203520455 /nfs/dbraw/zinc/52/04/55/1203520455.db2.gz IKWGESJCDPDANT-SFHVURJKSA-N 0 3 314.473 3.429 20 30 DGEDHN CCC/C=C\CCN1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001716671050 1203521707 /nfs/dbraw/zinc/52/17/07/1203521707.db2.gz KMMVQSKUERQOIP-FBQMEGEOSA-N 0 3 324.468 3.365 20 30 DGEDHN CCC/C=C/CCN1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001716671052 1203521758 /nfs/dbraw/zinc/52/17/58/1203521758.db2.gz KMMVQSKUERQOIP-SGSXCFNPSA-N 0 3 324.468 3.365 20 30 DGEDHN CCC/C=C\CCN1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001716671046 1203521824 /nfs/dbraw/zinc/52/18/24/1203521824.db2.gz KMMVQSKUERQOIP-BBIZLLLXSA-N 0 3 324.468 3.365 20 30 DGEDHN CC#CCCCC(=O)NCC1(NC/C=C/c2ccccc2)CC1 ZINC001716690711 1203525860 /nfs/dbraw/zinc/52/58/60/1203525860.db2.gz NEAIMTGYUFXVEQ-FMIVXFBMSA-N 0 3 310.441 3.132 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001716725719 1203532853 /nfs/dbraw/zinc/53/28/53/1203532853.db2.gz YHMUWZGYVTWMDW-SJLPKXTDSA-N 0 3 310.457 3.405 20 30 DGEDHN CC[C@@H](C)C(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001716791978 1203543305 /nfs/dbraw/zinc/54/33/05/1203543305.db2.gz HYSIIFXRPHSGDK-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN(C(=O)C(CC)CC)C1CCN(CC=C(C)C)CC1 ZINC001716801970 1203545243 /nfs/dbraw/zinc/54/52/43/1203545243.db2.gz CJLLPYDDVRVUER-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@H](C)CC1)C1CCN(CC(=C)C)CC1 ZINC001716811084 1203546139 /nfs/dbraw/zinc/54/61/39/1203546139.db2.gz NCIRKAGPIWKERC-IYARVYRRSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)c1coc2ccccc12)C1CCN(CC=C)CC1 ZINC001716812994 1203546199 /nfs/dbraw/zinc/54/61/99/1203546199.db2.gz WXUCNACKFKQLOB-UHFFFAOYSA-N 0 3 322.408 3.159 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)CC(C)C)C2 ZINC001716830100 1203549530 /nfs/dbraw/zinc/54/95/30/1203549530.db2.gz JGZFEDOSXNVVRI-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@](C)(NC(=O)C(=O)C(C)(C)C)C1 ZINC001716840017 1203552366 /nfs/dbraw/zinc/55/23/66/1203552366.db2.gz RCECEHHWXFEJNC-GOSISDBHSA-N 0 3 310.482 3.153 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC001716873519 1203559477 /nfs/dbraw/zinc/55/94/77/1203559477.db2.gz UJSUOSJAHIENBE-DLBZAZTESA-N 0 3 321.490 3.074 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C=C2CCCCC2)C1 ZINC001716891824 1203563259 /nfs/dbraw/zinc/56/32/59/1203563259.db2.gz YIMXFYHFUMWERV-LJQANCHMSA-N 0 3 302.462 3.119 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC001716901148 1203565997 /nfs/dbraw/zinc/56/59/97/1203565997.db2.gz CHZVBGWOYDIZMD-SFHVURJKSA-N 0 3 318.848 3.195 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1CC ZINC001716954279 1203569513 /nfs/dbraw/zinc/56/95/13/1203569513.db2.gz RFWJEKSBEDKQPR-KXBFYZLASA-N 0 3 312.457 3.065 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2c(F)cccc2F)C1 ZINC001716959141 1203570584 /nfs/dbraw/zinc/57/05/84/1203570584.db2.gz JZJDYPZMCGYYNI-ZIAGYGMSSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001717013011 1203577853 /nfs/dbraw/zinc/57/78/53/1203577853.db2.gz UHZBRYFJGOZBPZ-CALCHBBNSA-N 0 3 316.420 3.072 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)C2CCC2)cc1 ZINC001717115721 1203586564 /nfs/dbraw/zinc/58/65/64/1203586564.db2.gz NLWVNWQPXBCDDQ-CVEARBPZSA-N 0 3 312.457 3.413 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C#CC(C)(C)C)cc1 ZINC001717114638 1203586587 /nfs/dbraw/zinc/58/65/87/1203586587.db2.gz FULQNQHKQWANJO-INIZCTEOSA-N 0 3 310.441 3.026 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)C2CCC2)cc1 ZINC001717115722 1203586642 /nfs/dbraw/zinc/58/66/42/1203586642.db2.gz NLWVNWQPXBCDDQ-HOTGVXAUSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC001717116304 1203586973 /nfs/dbraw/zinc/58/69/73/1203586973.db2.gz QYBKLOXNGQFELA-OAOYMFHYSA-N 0 3 310.441 3.023 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)CCC1 ZINC001717160127 1203593698 /nfs/dbraw/zinc/59/36/98/1203593698.db2.gz INYGPQBJVVETLD-QAQDUYKDSA-N 0 3 304.478 3.101 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C(C)(C)C)s2)CCC1 ZINC001717163440 1203594506 /nfs/dbraw/zinc/59/45/06/1203594506.db2.gz YCCMPXDYOOFDFW-UHFFFAOYSA-N 0 3 318.486 3.311 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001717244516 1203609162 /nfs/dbraw/zinc/60/91/62/1203609162.db2.gz ZHNJEOGWXLKRAP-TZIWHRDSSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001717247554 1203609891 /nfs/dbraw/zinc/60/98/91/1203609891.db2.gz KAOKYWDCTVSBKI-FUHWJXTLSA-N 0 3 310.457 3.405 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)CC(C)C)C2 ZINC001717248350 1203610025 /nfs/dbraw/zinc/61/00/25/1203610025.db2.gz XVLNUNMSUIICAG-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001717247703 1203610189 /nfs/dbraw/zinc/61/01/89/1203610189.db2.gz NJXLVFOFTMOJGV-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)CC(C)C)C2 ZINC001717248348 1203610198 /nfs/dbraw/zinc/61/01/98/1203610198.db2.gz XVLNUNMSUIICAG-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN CCCCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)[C@@H](C)C1 ZINC001717272875 1203611444 /nfs/dbraw/zinc/61/14/44/1203611444.db2.gz RWGXRFFBOLFDJX-BBRMVZONSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001717337943 1203620859 /nfs/dbraw/zinc/62/08/59/1203620859.db2.gz OAEFXFDTVMGVLS-DZGCQCFKSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001717337946 1203621263 /nfs/dbraw/zinc/62/12/63/1203621263.db2.gz OAEFXFDTVMGVLS-ZFWWWQNUSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C[C@H]1CC(C)(C)CO1 ZINC001717366393 1203626737 /nfs/dbraw/zinc/62/67/37/1203626737.db2.gz ZKJBEFABWSZZMM-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001717366395 1203626939 /nfs/dbraw/zinc/62/69/39/1203626939.db2.gz ZKJBEFABWSZZMM-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001717374172 1203629525 /nfs/dbraw/zinc/62/95/25/1203629525.db2.gz NWXAJLZVBDGTAB-YTQUADARSA-N 0 3 312.457 3.207 20 30 DGEDHN C=Cc1ccc(C(=O)NC2CC(CNCC(=C)Cl)C2)cc1 ZINC001717390134 1203633444 /nfs/dbraw/zinc/63/34/44/1203633444.db2.gz NTKZLCLMVBXIBQ-UHFFFAOYSA-N 0 3 304.821 3.180 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001717396579 1203635426 /nfs/dbraw/zinc/63/54/26/1203635426.db2.gz HMRITDCKRDMFOZ-CABCVRRESA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001717425175 1203641657 /nfs/dbraw/zinc/64/16/57/1203641657.db2.gz OPKCAUWQMWYYBR-CHWSQXEVSA-N 0 3 309.841 3.074 20 30 DGEDHN C[C@@H](CNC(=O)CC1CCCC1)N(C)Cc1cccc(C#N)c1 ZINC001717465605 1203652183 /nfs/dbraw/zinc/65/21/83/1203652183.db2.gz SRNXQALZIRHFKA-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1ccccc1C1CC1 ZINC001717472671 1203655625 /nfs/dbraw/zinc/65/56/25/1203655625.db2.gz PJFRJIQAIQSROC-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2ccc(F)cc2)C1 ZINC001717486577 1203661075 /nfs/dbraw/zinc/66/10/75/1203661075.db2.gz AEVVQKUUIRWMKN-AWEZNQCLSA-N 0 3 304.409 3.119 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCCc1ccsc1 ZINC001717537336 1203676384 /nfs/dbraw/zinc/67/63/84/1203676384.db2.gz CDNPSXHHTVGZAW-QGZVFWFLSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC001717540779 1203678027 /nfs/dbraw/zinc/67/80/27/1203678027.db2.gz SEUHHOFOWYSDPS-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001717550978 1203680087 /nfs/dbraw/zinc/68/00/87/1203680087.db2.gz JXMTXEYFEZKYSD-ZPUOCTKUSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2ccccc2CC)C1 ZINC001717555347 1203680959 /nfs/dbraw/zinc/68/09/59/1203680959.db2.gz UWDVIPGSWCEGFM-HNNXBMFYSA-N 0 3 314.473 3.398 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717557936 1203681565 /nfs/dbraw/zinc/68/15/65/1203681565.db2.gz SDYFJKZILKLJNJ-QWHCGFSZSA-N 0 3 314.420 3.071 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccc(C)cc2)C(C)(C)C1 ZINC001717585184 1203686725 /nfs/dbraw/zinc/68/67/25/1203686725.db2.gz MELKQMVCTGANTQ-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN CC(=O)N[C@@H](CCCNCc1ccccc1C#N)c1ccccc1 ZINC001717716211 1203703667 /nfs/dbraw/zinc/70/36/67/1203703667.db2.gz SSSNZJUSNZWEQN-FQEVSTJZSA-N 0 3 321.424 3.305 20 30 DGEDHN CCCCC(=O)N(C)[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001717725781 1203705333 /nfs/dbraw/zinc/70/53/33/1203705333.db2.gz KYXXLCBLSSBSHK-INIZCTEOSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1cccc(Cl)n1)C1CC1 ZINC001717728004 1203705816 /nfs/dbraw/zinc/70/58/16/1203705816.db2.gz FWOIQWMLOFXCKQ-OAHLLOKOSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001717737534 1203707130 /nfs/dbraw/zinc/70/71/30/1203707130.db2.gz AKAXLDZDUKWZLK-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001717813612 1203715312 /nfs/dbraw/zinc/71/53/12/1203715312.db2.gz ULQLQBOJPRLAQI-PKOBYXMFSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2(C)CCCC2)[C@@H]1C ZINC001717852471 1203721411 /nfs/dbraw/zinc/72/14/11/1203721411.db2.gz QTVWTCHSZLYZLR-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(C)cc2C)[C@H]1C ZINC001717855753 1203722777 /nfs/dbraw/zinc/72/27/77/1203722777.db2.gz JVIFSYIGEYVBOE-MJGOQNOKSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@H]1C ZINC001717856463 1203723005 /nfs/dbraw/zinc/72/30/05/1203723005.db2.gz TVBLHHGAHVRZRM-CHWSQXEVSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001717896005 1203729569 /nfs/dbraw/zinc/72/95/69/1203729569.db2.gz YBXBBGWRZIDIIA-HZPDHXFCSA-N 0 3 310.457 3.330 20 30 DGEDHN CC[C@H](F)CN1CCC(C2(NC(=O)C#CC(C)(C)C)CC2)CC1 ZINC001718002951 1203743014 /nfs/dbraw/zinc/74/30/14/1203743014.db2.gz MCRHOTSWCWZWEM-INIZCTEOSA-N 0 3 322.468 3.145 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCCc2ccsc2)CC1 ZINC001718023371 1203743797 /nfs/dbraw/zinc/74/37/97/1203743797.db2.gz DKNBRSYUMGEKGR-UHFFFAOYSA-N 0 3 304.459 3.005 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCC1(C)CC1 ZINC001722905224 1203949392 /nfs/dbraw/zinc/94/93/92/1203949392.db2.gz AOVFLQVFDITJIM-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(-c2cccs2)o1 ZINC001722913669 1203951124 /nfs/dbraw/zinc/95/11/24/1203951124.db2.gz LJZJKAQOGGCRAO-LBPRGKRZSA-N 0 3 304.415 3.244 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001723412031 1203968875 /nfs/dbraw/zinc/96/88/75/1203968875.db2.gz OJVHITMATDCOJY-KRWDZBQOSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccccc1OC(C)C ZINC001723473153 1203976685 /nfs/dbraw/zinc/97/66/85/1203976685.db2.gz NCEJTJITWCNPMT-INIZCTEOSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001723472189 1203977015 /nfs/dbraw/zinc/97/70/15/1203977015.db2.gz HGPAYSSTIPLVEF-IRXDYDNUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2ccccc2)CCCC1 ZINC001723474799 1203977592 /nfs/dbraw/zinc/97/75/92/1203977592.db2.gz YPMVZVJDEKSXNO-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001723482774 1203978226 /nfs/dbraw/zinc/97/82/26/1203978226.db2.gz DMZWDNCFDDBHNX-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001723482619 1203978327 /nfs/dbraw/zinc/97/83/27/1203978327.db2.gz DEOUFSWLALKYFX-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C(CC=C)CC=C)C1 ZINC001723605663 1203984661 /nfs/dbraw/zinc/98/46/61/1203984661.db2.gz AQSUXZNMUQZHPR-MOPGFXCFSA-N 0 3 314.473 3.091 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCC3CCCCC3)C2)C1 ZINC001723727075 1203990507 /nfs/dbraw/zinc/99/05/07/1203990507.db2.gz NWQZVKUVWRIOJK-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001724174464 1204011011 /nfs/dbraw/zinc/01/10/11/1204011011.db2.gz QFOONOZHECWWAU-GUYCJALGSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001724174590 1204011889 /nfs/dbraw/zinc/01/18/89/1204011889.db2.gz JHVSMNGIGBXFKE-HKUYNNGSSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001724174591 1204012058 /nfs/dbraw/zinc/01/20/58/1204012058.db2.gz JHVSMNGIGBXFKE-IEBWSBKVSA-N 0 3 300.446 3.022 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2=CCCCCC2)C1 ZINC001724317682 1204020615 /nfs/dbraw/zinc/02/06/15/1204020615.db2.gz FBVGLQJCXKGYPC-IBGZPJMESA-N 0 3 302.462 3.119 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccnc3ccccc32)C1 ZINC001724329144 1204021870 /nfs/dbraw/zinc/02/18/70/1204021870.db2.gz SCRRNUMPICNYCN-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccoc2CCC)C1 ZINC001724341990 1204023685 /nfs/dbraw/zinc/02/36/85/1204023685.db2.gz CEJZSJIUZSIHCR-GOSISDBHSA-N 0 3 304.434 3.250 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC1CCC1)c1ccccc1CC ZINC001724508507 1204026473 /nfs/dbraw/zinc/02/64/73/1204026473.db2.gz NAJSZFFGOWONNG-LJQANCHMSA-N 0 3 312.457 3.209 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001724603475 1204031850 /nfs/dbraw/zinc/03/18/50/1204031850.db2.gz UJQOXZYVFTYLKA-RBVCKMPFSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001724689357 1204037775 /nfs/dbraw/zinc/03/77/75/1204037775.db2.gz HWNWSYOHDRNFTI-ZDUSSCGKSA-N 0 3 312.866 3.251 20 30 DGEDHN CCC(C)(C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001724792915 1204047845 /nfs/dbraw/zinc/04/78/45/1204047845.db2.gz CKCQXIWYHZYXSZ-UHFFFAOYSA-N 0 3 319.474 3.184 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccccc1-c1ccccc1 ZINC001724858680 1204059674 /nfs/dbraw/zinc/05/96/74/1204059674.db2.gz HSVBZBIHPVPTRB-UHFFFAOYSA-N 0 3 320.436 3.381 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC=C)C1 ZINC001724865319 1204060877 /nfs/dbraw/zinc/06/08/77/1204060877.db2.gz FCQLHBMAWAXKLE-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)C[C@H]1C ZINC001724998661 1204077326 /nfs/dbraw/zinc/07/73/26/1204077326.db2.gz WGZKRWWYMHWCKX-IEBWSBKVSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)CC(F)(F)F ZINC001725050140 1204085865 /nfs/dbraw/zinc/08/58/65/1204085865.db2.gz PQMRJWZACAEVOI-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC001725053826 1204086479 /nfs/dbraw/zinc/08/64/79/1204086479.db2.gz OUHIBJAVPKHOAK-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC001725070029 1204089023 /nfs/dbraw/zinc/08/90/23/1204089023.db2.gz DOXSSWOMMKELLR-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001725079949 1204090305 /nfs/dbraw/zinc/09/03/05/1204090305.db2.gz KACJNYCKUSJYMY-HOTGVXAUSA-N 0 3 318.436 3.240 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(F)ccc1OC ZINC001725091863 1204092476 /nfs/dbraw/zinc/09/24/76/1204092476.db2.gz MYUXEJVBVYXWAX-ZIAGYGMSSA-N 0 3 322.424 3.173 20 30 DGEDHN Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)o1 ZINC001725091284 1204092566 /nfs/dbraw/zinc/09/25/66/1204092566.db2.gz OAAHVERVZVVCKT-IRXDYDNUSA-N 0 3 324.424 3.045 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001725125811 1204099106 /nfs/dbraw/zinc/09/91/06/1204099106.db2.gz BLIODYUVECTIAR-VXGBXAGGSA-N 0 3 319.474 3.039 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001725130879 1204100239 /nfs/dbraw/zinc/10/02/39/1204100239.db2.gz JOCKIJXLBVPXBE-RYUDHWBXSA-N 0 3 310.388 3.160 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001725144600 1204102802 /nfs/dbraw/zinc/10/28/02/1204102802.db2.gz SALKYAKBMOXAPN-ZIAGYGMSSA-N 0 3 314.901 3.495 20 30 DGEDHN C[C@H](c1ccc(F)cc1)N(C)[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001725161476 1204107446 /nfs/dbraw/zinc/10/74/46/1204107446.db2.gz OJOOSROCGIZAJC-LSDHHAIUSA-N 0 3 318.436 3.373 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001725173222 1204110389 /nfs/dbraw/zinc/11/03/89/1204110389.db2.gz AUSAIQTYNALRQC-HZPDHXFCSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001725179492 1204112596 /nfs/dbraw/zinc/11/25/96/1204112596.db2.gz RKQHVDXMHCIIAL-CYBMUJFWSA-N 0 3 308.853 3.240 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725184590 1204114497 /nfs/dbraw/zinc/11/44/97/1204114497.db2.gz HBUZALSKHCWQNT-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001725580817 1204171427 /nfs/dbraw/zinc/17/14/27/1204171427.db2.gz GACZTDVMXCENCD-JKSUJKDBSA-N 0 3 324.424 3.266 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001725595516 1204175147 /nfs/dbraw/zinc/17/51/47/1204175147.db2.gz PFKGSVVQGDAFFD-RDJZCZTQSA-N 0 3 318.486 3.411 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001725597377 1204175829 /nfs/dbraw/zinc/17/58/29/1204175829.db2.gz IDXOHYPKSYNCTM-ZFWWWQNUSA-N 0 3 316.445 3.101 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2nc(C)sc2C)C1 ZINC001725631102 1204186176 /nfs/dbraw/zinc/18/61/76/1204186176.db2.gz NIRROFGQPZYKLE-CABCVRRESA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2cc(F)ccc2[nH]1)C(C)C ZINC001725730628 1204203567 /nfs/dbraw/zinc/20/35/67/1204203567.db2.gz HPVDZCRLILDHPB-UHFFFAOYSA-N 0 3 317.408 3.275 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC2)CC1 ZINC001725794501 1204223367 /nfs/dbraw/zinc/22/33/67/1204223367.db2.gz LDDFCRRLRJDELQ-CVEARBPZSA-N 0 3 318.505 3.299 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CSC(C)C ZINC001731288515 1204363492 /nfs/dbraw/zinc/36/34/92/1204363492.db2.gz PEARRHVOBDPVGE-ZIAGYGMSSA-N 0 3 318.914 3.240 20 30 DGEDHN C=CCC1(C(=O)N(C)C2CCN(CCOCC)CC2)CCCC1 ZINC001731351643 1204382361 /nfs/dbraw/zinc/38/23/61/1204382361.db2.gz WJIUQJBRIKZMND-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001731353596 1204382390 /nfs/dbraw/zinc/38/23/90/1204382390.db2.gz NUPZGCMJSXZHNP-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001731382298 1204389675 /nfs/dbraw/zinc/38/96/75/1204389675.db2.gz AZDUNOQKUPDNEF-UQYHUFHVSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001731507850 1204437687 /nfs/dbraw/zinc/43/76/87/1204437687.db2.gz WNCDPUMTXOYVHK-HKUYNNGSSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CC(C)(C)CO1 ZINC001731538123 1204449614 /nfs/dbraw/zinc/44/96/14/1204449614.db2.gz WUCPLVJMPLEGOI-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCc1ncccc1C ZINC001731545753 1204454916 /nfs/dbraw/zinc/45/49/16/1204454916.db2.gz CDSSEVLEHDXUEB-KRWDZBQOSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001731549653 1204456272 /nfs/dbraw/zinc/45/62/72/1204456272.db2.gz BHDFVSIAVCBZRR-IRXDYDNUSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001731555599 1204459272 /nfs/dbraw/zinc/45/92/72/1204459272.db2.gz UQFJYSHGXKEOTM-OXSAEWAQSA-N 0 3 310.869 3.149 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001731560750 1204462105 /nfs/dbraw/zinc/46/21/05/1204462105.db2.gz BGSGEZOEOPRWLU-HSSUXASLSA-N 0 3 324.468 3.248 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2coc3c2cccc3C)C1 ZINC001731712421 1204516190 /nfs/dbraw/zinc/51/61/90/1204516190.db2.gz GSLFEIJOFJDSRG-MRXNPFEDSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1oc(CC)nc1C ZINC001731734973 1204528567 /nfs/dbraw/zinc/52/85/67/1204528567.db2.gz ZDXVYLVWBTYOBL-CYBMUJFWSA-N 0 3 321.465 3.132 20 30 DGEDHN CCCC(C)(C)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001731809135 1204574444 /nfs/dbraw/zinc/57/44/44/1204574444.db2.gz DPLMXJXERDBGKL-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)CCCc1ccccc1 ZINC001731840719 1204597626 /nfs/dbraw/zinc/59/76/26/1204597626.db2.gz GTIODJSELMMQGM-PKOBYXMFSA-N 0 3 314.473 3.412 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2cc(C)ccc2o1 ZINC001731873456 1204616020 /nfs/dbraw/zinc/61/60/20/1204616020.db2.gz IBDYXUYAEQLZBQ-UHFFFAOYSA-N 0 3 312.413 3.206 20 30 DGEDHN CC(C)c1ccc(CN(CCNC(=O)C#CC2CC2)C2CC2)cc1 ZINC001731875036 1204616923 /nfs/dbraw/zinc/61/69/23/1204616923.db2.gz IWEWRAYOZAIWGB-UHFFFAOYSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2cccc(Cl)c2)CC1)C1CC1 ZINC001731876113 1204618752 /nfs/dbraw/zinc/61/87/52/1204618752.db2.gz ACPSHDZLAYPVLM-UHFFFAOYSA-N 0 3 318.848 3.138 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cnc(C(C)C)s1)C1CC1 ZINC001731884647 1204624639 /nfs/dbraw/zinc/62/46/39/1204624639.db2.gz ZHFPLIXIMSKGIT-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC001731885723 1204625321 /nfs/dbraw/zinc/62/53/21/1204625321.db2.gz WSXZLFSWMSLKCP-UHFFFAOYSA-N 0 3 318.848 3.138 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC001732019011 1204650855 /nfs/dbraw/zinc/65/08/55/1204650855.db2.gz ZNDULZYFHCTBLL-QGZVFWFLSA-N 0 3 314.454 3.314 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C=C1CCCCC1)c1ccccc1 ZINC001732020471 1204651525 /nfs/dbraw/zinc/65/15/25/1204651525.db2.gz ZVYYOIWHFFKQKL-LJQANCHMSA-N 0 3 310.441 3.347 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(CC)CCCC1)c1ccccc1 ZINC001732023335 1204652369 /nfs/dbraw/zinc/65/23/69/1204652369.db2.gz FPUAXAIENAIDBT-GOSISDBHSA-N 0 3 312.457 3.427 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC(C)C ZINC001732026908 1204653957 /nfs/dbraw/zinc/65/39/57/1204653957.db2.gz KPJFYBNIQBRTJV-KURKYZTESA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001732040374 1204661648 /nfs/dbraw/zinc/66/16/48/1204661648.db2.gz DCNCSRNXGUSBRO-AQNXPRMDSA-N 0 3 324.468 3.126 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCN(Cc2cncs2)C1 ZINC001732053593 1204670763 /nfs/dbraw/zinc/67/07/63/1204670763.db2.gz OENXBLLYDYDRCH-YOEHRIQHSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCCCO2)C1 ZINC001732080566 1204684765 /nfs/dbraw/zinc/68/47/65/1204684765.db2.gz VMVSJDAQWRPTJU-ROUUACIJSA-N 0 3 322.493 3.225 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCCN(CC/C=C\c2ccccc2)C1 ZINC001732091466 1204691220 /nfs/dbraw/zinc/69/12/20/1204691220.db2.gz AXLXTLIFDNCCHC-HUQFFUELSA-N 0 3 324.468 3.330 20 30 DGEDHN CC#CCCCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001732132017 1204706107 /nfs/dbraw/zinc/70/61/07/1204706107.db2.gz YMGUEOIRCSLLTI-KRWDZBQOSA-N 0 3 312.457 3.298 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccccc1 ZINC001732150122 1204714979 /nfs/dbraw/zinc/71/49/79/1204714979.db2.gz PTGHKDSTKSJXDJ-NEWSRXKRSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001732157683 1204718187 /nfs/dbraw/zinc/71/81/87/1204718187.db2.gz JVDKTHPZHRGAPG-GOSISDBHSA-N 0 3 300.446 3.302 20 30 DGEDHN C=C(C)CCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001732183474 1204736475 /nfs/dbraw/zinc/73/64/75/1204736475.db2.gz XNRGMFRWEFPALR-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN CC[C@H](CNC(=O)[C@]1(C)CC=CCC1)NCC#Cc1ccccc1 ZINC001732200758 1204746712 /nfs/dbraw/zinc/74/67/12/1204746712.db2.gz RLTZTTIQADIVQA-TZIWHRDSSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2cc(C)ns2)CCC1 ZINC001732212970 1204752710 /nfs/dbraw/zinc/75/27/10/1204752710.db2.gz VLTCIUFJXJJYMX-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1ccccc1F)C1CC1 ZINC001732240817 1204767409 /nfs/dbraw/zinc/76/74/09/1204767409.db2.gz NBPYZURNXZAPPU-SFHVURJKSA-N 0 3 304.409 3.166 20 30 DGEDHN CCC(=O)N[C@@]1(CNCC#Cc2ccccc2)CCCC[C@H]1C ZINC001732253911 1204771801 /nfs/dbraw/zinc/77/18/01/1204771801.db2.gz QXNBTMQBUKDFBW-YLJYHZDGSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@H](CC)C(C)C)cc1 ZINC001732318872 1204789771 /nfs/dbraw/zinc/78/97/71/1204789771.db2.gz URQGLDQHLBJRES-SFHVURJKSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001732328456 1204794076 /nfs/dbraw/zinc/79/40/76/1204794076.db2.gz DJEOAOWYGDYNBU-MTGKDYNDSA-N 0 3 322.452 3.141 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)CNCc1cc(O)ccc1Cl ZINC001732345646 1204799355 /nfs/dbraw/zinc/79/93/55/1204799355.db2.gz KWTXHJFTJVVTJC-ZDUSSCGKSA-N 0 3 324.852 3.244 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1ccccc1Cl)N(C)C(=O)C#CC1CC1 ZINC001732418821 1204831372 /nfs/dbraw/zinc/83/13/72/1204831372.db2.gz JIWVLBQGXGDRMX-KBPBESRZSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001732436058 1204839793 /nfs/dbraw/zinc/83/97/93/1204839793.db2.gz LBYCNQPCRWCMME-PXNSSMCTSA-N 0 3 312.457 3.077 20 30 DGEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccco1 ZINC001732462459 1204855342 /nfs/dbraw/zinc/85/53/42/1204855342.db2.gz RKJKYRKNZGKDGQ-GOSISDBHSA-N 0 3 324.424 3.065 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001732593024 1204915665 /nfs/dbraw/zinc/91/56/65/1204915665.db2.gz RYFZXOYMUQQRQU-KRWDZBQOSA-N 0 3 314.473 3.156 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCN[C@@H](C)c1c(F)cccc1F ZINC001732690623 1204930050 /nfs/dbraw/zinc/93/00/50/1204930050.db2.gz YOEBXTCPZWKJHA-KGLIPLIRSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1cccc(F)c1 ZINC001732790570 1204943910 /nfs/dbraw/zinc/94/39/10/1204943910.db2.gz JLNZPCYAFJZJGW-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2cc(C)sc2C)C1 ZINC001732898892 1204956492 /nfs/dbraw/zinc/95/64/92/1204956492.db2.gz ZXMLZWCYDUEEHT-WAYWQWQTSA-N 0 3 318.486 3.483 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001733017357 1204982710 /nfs/dbraw/zinc/98/27/10/1204982710.db2.gz LBXGZWWCNAQFJI-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)/C=C/C(C)(C)C ZINC001733028570 1204987198 /nfs/dbraw/zinc/98/71/98/1204987198.db2.gz BLDQUADMOMAEPL-FEAKQIBJSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001733048394 1205000657 /nfs/dbraw/zinc/00/06/57/1205000657.db2.gz HWNLNDBVNFVBDF-GJZGRUSLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(OC)c1 ZINC001733055390 1205007412 /nfs/dbraw/zinc/00/74/12/1205007412.db2.gz NZIBQQLDBHWTJF-HNAYVOBHSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CN(C)C[C@@H]2CCCCO2)CCCC1 ZINC001733067071 1205014876 /nfs/dbraw/zinc/01/48/76/1205014876.db2.gz CCECDBARTYDXHF-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001733113011 1205025306 /nfs/dbraw/zinc/02/53/06/1205025306.db2.gz AAJFCSOKUNTIRI-HUUCEWRRSA-N 0 3 312.885 3.415 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001733212022 1205046546 /nfs/dbraw/zinc/04/65/46/1205046546.db2.gz SCVJJMXBOFYAGJ-ARFHVFGLSA-N 0 3 318.486 3.317 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001733219352 1205050751 /nfs/dbraw/zinc/05/07/51/1205050751.db2.gz NXQVPXZRYRUXHI-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1ccc(F)cc1Cl ZINC001733223172 1205051874 /nfs/dbraw/zinc/05/18/74/1205051874.db2.gz UMDOJMIEGVOJOX-HNNXBMFYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001733224502 1205053504 /nfs/dbraw/zinc/05/35/04/1205053504.db2.gz AWPGNPBCNNGEGV-HZPDHXFCSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CC1(CC(=O)NC[C@H]2CCN2CC[C@@H](C)F)CCCCC1 ZINC001733227568 1205056490 /nfs/dbraw/zinc/05/64/90/1205056490.db2.gz VNACNSAQFPQWRN-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001733227339 1205057364 /nfs/dbraw/zinc/05/73/64/1205057364.db2.gz XLUWUGHNUHCGEQ-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001733228349 1205058569 /nfs/dbraw/zinc/05/85/69/1205058569.db2.gz DRUJFGDIFXAGSE-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cccc3cccnc32)CC1 ZINC001733250688 1205069324 /nfs/dbraw/zinc/06/93/24/1205069324.db2.gz MWCORAWAUCPYGR-UHFFFAOYSA-N 0 3 323.440 3.185 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC(CC)CC)C1 ZINC001733269604 1205076252 /nfs/dbraw/zinc/07/62/52/1205076252.db2.gz QFXYOTMDPWAPCR-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C3(CCC)CCC3)C2)CC1 ZINC001733292123 1205085021 /nfs/dbraw/zinc/08/50/21/1205085021.db2.gz HGRMASCABQTXJI-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001733295536 1205085486 /nfs/dbraw/zinc/08/54/86/1205085486.db2.gz MTRUYYLOEKKBSI-MJGOQNOKSA-N 0 3 322.468 3.427 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001733297527 1205086814 /nfs/dbraw/zinc/08/68/14/1205086814.db2.gz PQBLEVXJHFCAKA-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C1CC(C)C1)c1ccc2ccccc2c1 ZINC001733375475 1205108433 /nfs/dbraw/zinc/10/84/33/1205108433.db2.gz RJSAZXJVVXHBMS-RGKRWLCDSA-N 0 3 320.436 3.266 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@@H]1C[C@H]1CC)c1ccc2ccccc2c1 ZINC001733374672 1205108493 /nfs/dbraw/zinc/10/84/93/1205108493.db2.gz KCHJYVLRSMZYSJ-CDHQVMDDSA-N 0 3 320.436 3.266 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1(C)CCC1)c1ccc2ccccc2c1 ZINC001733376249 1205109484 /nfs/dbraw/zinc/10/94/84/1205109484.db2.gz WSVOWDSVMIELTK-IBGZPJMESA-N 0 3 320.436 3.410 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001733412248 1205123741 /nfs/dbraw/zinc/12/37/41/1205123741.db2.gz KXYKNICCGNEYRW-AEFFLSMTSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(Cl)c2)C1 ZINC001733414373 1205125267 /nfs/dbraw/zinc/12/52/67/1205125267.db2.gz ZEDHOMRGDCVLIX-QGZVFWFLSA-N 0 3 306.837 3.039 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001733453819 1205138119 /nfs/dbraw/zinc/13/81/19/1205138119.db2.gz WKGOSRFKCUZCLO-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)CCC ZINC001733573528 1205166033 /nfs/dbraw/zinc/16/60/33/1205166033.db2.gz YXFOPDGOZKCXOB-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1CCC ZINC001733573058 1205166215 /nfs/dbraw/zinc/16/62/15/1205166215.db2.gz UXSIQXUZFZCMAC-RTBURBONSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H](C)c1ccccc1 ZINC001733597192 1205169944 /nfs/dbraw/zinc/16/99/44/1205169944.db2.gz AOBXWRVLJRNBBL-DFQSSKMNSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CCNCc2ccc(F)cc2F)C1 ZINC001733639028 1205175166 /nfs/dbraw/zinc/17/51/66/1205175166.db2.gz ATQZDPDMXQJPFU-AWEZNQCLSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccccc2CC)C1 ZINC001733661682 1205178115 /nfs/dbraw/zinc/17/81/15/1205178115.db2.gz KPDQXQKDTPWREC-HNNXBMFYSA-N 0 3 320.864 3.443 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001733668871 1205179814 /nfs/dbraw/zinc/17/98/14/1205179814.db2.gz XKBUNDSEJVBPNK-VYDXJSESSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC001733670818 1205180279 /nfs/dbraw/zinc/18/02/79/1205180279.db2.gz NJSOQIQCGBYKSS-MRXNPFEDSA-N 0 3 320.864 3.498 20 30 DGEDHN C[C@@H](NC/C=C\Cl)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001733682540 1205184018 /nfs/dbraw/zinc/18/40/18/1205184018.db2.gz SOXMVLMMBTUSAS-RLTAXSOXSA-N 0 3 316.832 3.119 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC2CC(C)(C)C2)cc1 ZINC001733685244 1205184746 /nfs/dbraw/zinc/18/47/46/1205184746.db2.gz WUQHEQFPLVPYJP-OAHLLOKOSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C(C)(C)CC=C)cccc2C1 ZINC001733708968 1205189445 /nfs/dbraw/zinc/18/94/45/1205189445.db2.gz MVTVFFSEILRDFO-UHFFFAOYSA-N 0 3 324.468 3.287 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC#CC)CC2)CCCC1 ZINC001733765601 1205204390 /nfs/dbraw/zinc/20/43/90/1205204390.db2.gz CDZZBYWRFSTYJK-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001733768680 1205206016 /nfs/dbraw/zinc/20/60/16/1205206016.db2.gz KSNKATBBKNBGSR-CQSZACIVSA-N 0 3 319.424 3.024 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC(C)(C)CC(F)(F)F ZINC001733777866 1205213563 /nfs/dbraw/zinc/21/35/63/1205213563.db2.gz SVLJSWGGJDEZFI-UHFFFAOYSA-N 0 3 320.399 3.159 20 30 DGEDHN C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC1CC1 ZINC001733808767 1205222747 /nfs/dbraw/zinc/22/27/47/1205222747.db2.gz NEKMXMMADASAJB-LJQANCHMSA-N 0 3 312.457 3.296 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001733876031 1205240233 /nfs/dbraw/zinc/24/02/33/1205240233.db2.gz SAORCRCJCNPBOU-CRAIPNDOSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCCCCCN1CCOC2(CCN(C(=O)CCC)CC2)C1 ZINC001733908664 1205251697 /nfs/dbraw/zinc/25/16/97/1205251697.db2.gz DMFPOPCZQDWBBH-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)OC1CCCCCC1 ZINC001733936399 1205265493 /nfs/dbraw/zinc/26/54/93/1205265493.db2.gz SBGIPLFWCVUNOO-IRXDYDNUSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001733957042 1205270307 /nfs/dbraw/zinc/27/03/07/1205270307.db2.gz SLUXJHLIYSIGRH-SHARSMKWSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001733958746 1205270770 /nfs/dbraw/zinc/27/07/70/1205270770.db2.gz YTLKRVKSPDLXAF-UHFFFAOYSA-N 0 3 324.827 3.293 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1cc2ccccc2o1 ZINC001733966636 1205273955 /nfs/dbraw/zinc/27/39/55/1205273955.db2.gz UMYBFVGHBADKJN-KBPBESRZSA-N 0 3 300.402 3.382 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001733994591 1205282537 /nfs/dbraw/zinc/28/25/37/1205282537.db2.gz IGFZAPTXCZYFJH-WDEREUQCSA-N 0 3 307.265 3.391 20 30 DGEDHN CC(C)C#CC(=O)N(C)CC(C)(C)CNC/C(Cl)=C/Cl ZINC001734017243 1205289987 /nfs/dbraw/zinc/28/99/87/1205289987.db2.gz FYYHQCRMCDIBFU-JYRVWZFOSA-N 0 3 319.276 3.039 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)CCc1ccccc1F ZINC001734039847 1205300537 /nfs/dbraw/zinc/30/05/37/1205300537.db2.gz SGUUEXPZGVODRD-OAHLLOKOSA-N 0 3 306.425 3.161 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2cccc(F)c2)C1 ZINC001734053566 1205307257 /nfs/dbraw/zinc/30/72/57/1205307257.db2.gz OINFCQPXTLWHAK-AWEZNQCLSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCC[NH2+][C@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001734076539 1205315298 /nfs/dbraw/zinc/31/52/98/1205315298.db2.gz FDFAZHBGYLTDMS-MRXNPFEDSA-N 0 3 304.434 3.045 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001734118946 1205328729 /nfs/dbraw/zinc/32/87/29/1205328729.db2.gz KEPCZHODBIMDBQ-HNAYVOBHSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001734212401 1205344314 /nfs/dbraw/zinc/34/43/14/1205344314.db2.gz JXSVSMIEIKUDHW-KLHDSHLOSA-N 0 3 324.896 3.462 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2nc(C)cs2)C1 ZINC001734214111 1205344579 /nfs/dbraw/zinc/34/45/79/1205344579.db2.gz UNYWAEDMWXWDPG-RBSFLKMASA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001734215067 1205344776 /nfs/dbraw/zinc/34/47/76/1205344776.db2.gz HMXCJQQZIADYGY-ZOBUZTSGSA-N 0 3 320.864 3.335 20 30 DGEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)CC1CCC1 ZINC001734235770 1205347586 /nfs/dbraw/zinc/34/75/86/1205347586.db2.gz UISSMHNDZIEQHP-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccnc1C1CC1 ZINC001734246286 1205348928 /nfs/dbraw/zinc/34/89/28/1205348928.db2.gz VOHYXKPJYAHIJR-CYBMUJFWSA-N 0 3 321.852 3.200 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc(OC)c1C ZINC001734254451 1205350180 /nfs/dbraw/zinc/35/01/80/1205350180.db2.gz KETXBFVJHKOPOE-CYBMUJFWSA-N 0 3 324.852 3.244 20 30 DGEDHN CN(C(=O)C1(C)CCC1)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001734302097 1205359940 /nfs/dbraw/zinc/35/99/40/1205359940.db2.gz CZTVNMMDTVRCAI-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](C)CCCc1ccccc1 ZINC001734357068 1205371173 /nfs/dbraw/zinc/37/11/73/1205371173.db2.gz NRJGRTDLMCIAOM-ZWKOTPCHSA-N 0 3 314.473 3.105 20 30 DGEDHN CC/C=C(\C)C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001734409084 1205373519 /nfs/dbraw/zinc/37/35/19/1205373519.db2.gz BUOAEOZOVKNHIY-KDHQJITESA-N 0 3 317.458 3.055 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2oc3ccccc3c2CC)C1 ZINC001734425556 1205375530 /nfs/dbraw/zinc/37/55/30/1205375530.db2.gz BWXTVIXKUXOFBN-CABCVRRESA-N 0 3 324.424 3.211 20 30 DGEDHN 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C=CCN(CCNC(=O)Cc1coc2cc(C)ccc12)C1CC1 ZINC001266619337 1082084629 /nfs/dbraw/zinc/08/46/29/1082084629.db2.gz JFZWIPDRRJAEHG-UHFFFAOYSA-N 0 3 312.413 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001266626467 1082091743 /nfs/dbraw/zinc/09/17/43/1082091743.db2.gz LGRTUOPRPLDBFM-MRVWCRGKSA-N 0 3 324.827 3.309 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001167428332 1082098253 /nfs/dbraw/zinc/09/82/53/1082098253.db2.gz JECSKDPNBRREQC-LSDHHAIUSA-N 0 3 310.869 3.051 20 30 DGEDHN C#CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001266651525 1082114296 /nfs/dbraw/zinc/11/42/96/1082114296.db2.gz ASDJSVYXVZQENM-CSNJMZFVSA-N 0 3 322.468 3.430 20 30 DGEDHN CC#CCCCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001113226254 1082142151 /nfs/dbraw/zinc/14/21/51/1082142151.db2.gz UFHLBGJTARAJTK-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@@H](CCC)C(C)C ZINC001167468413 1082192717 /nfs/dbraw/zinc/19/27/17/1082192717.db2.gz RBBDYMXOJZHZRI-ZDUSSCGKSA-N 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C=C1CC(C)(C(=O)NCCN(C)Cc2ccc(CC)cc2)C1 ZINC001480908991 1082403783 /nfs/dbraw/zinc/40/37/83/1082403783.db2.gz GUIWVBNKPCHGBV-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC001267025756 1082444520 /nfs/dbraw/zinc/44/45/20/1082444520.db2.gz PDJRBSPDTHRAQK-SFHVURJKSA-N 0 3 318.420 3.181 20 30 DGEDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc(C#N)c1 ZINC001167521400 1082477426 /nfs/dbraw/zinc/47/74/26/1082477426.db2.gz BJWMNPRZZMBFPQ-LJQANCHMSA-N 0 3 310.397 3.209 20 30 DGEDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc(C#N)c1 ZINC001167521400 1082477428 /nfs/dbraw/zinc/47/74/28/1082477428.db2.gz BJWMNPRZZMBFPQ-LJQANCHMSA-N 0 3 310.397 3.209 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2csc(CC)n2)C1 ZINC001267076814 1082480378 /nfs/dbraw/zinc/48/03/78/1082480378.db2.gz ATWGMAMFFYBWRP-ZIAGYGMSSA-N 0 3 321.490 3.189 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001267080991 1082487147 /nfs/dbraw/zinc/48/71/47/1082487147.db2.gz HHNGOVQCKABIOU-UONOGXRCSA-N 0 3 307.463 3.016 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001267099931 1082510477 /nfs/dbraw/zinc/51/04/77/1082510477.db2.gz FODDZPGLEVINBG-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN C=C[C@H](CC(=O)N1CCC[C@@H](N(C)CC#CC)C1)c1ccccc1 ZINC001267114971 1082533566 /nfs/dbraw/zinc/53/35/66/1082533566.db2.gz OGKMHGOXIGKJPJ-UYAOXDASSA-N 0 3 324.468 3.292 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2c(o1)CCCC2 ZINC001267130076 1082548365 /nfs/dbraw/zinc/54/83/65/1082548365.db2.gz CMXGQNACIDZZPM-LBPRGKRZSA-N 0 3 310.825 3.009 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)c(F)cc1F ZINC001267133858 1082550028 /nfs/dbraw/zinc/55/00/28/1082550028.db2.gz BEQGOVTWVVMYPT-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC[C@@H](F)CC)C1 ZINC001211551390 1082572371 /nfs/dbraw/zinc/57/23/71/1082572371.db2.gz MHCDOEHYYAJZSC-OKZBNKHCSA-N 0 3 318.436 3.285 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001086642208 1082597459 /nfs/dbraw/zinc/59/74/59/1082597459.db2.gz WMCLFNFOLPLRET-UONOGXRCSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001086645428 1082611284 /nfs/dbraw/zinc/61/12/84/1082611284.db2.gz RLMPUEMMDWBVKQ-WDEREUQCSA-N 0 3 317.216 3.174 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001267210922 1082643281 /nfs/dbraw/zinc/64/32/81/1082643281.db2.gz NBOMXFUPFNORDD-KBXCAEBGSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@H](C)O2 ZINC001131666938 1082700384 /nfs/dbraw/zinc/70/03/84/1082700384.db2.gz VQFVXNNBAJVBER-QFBILLFUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2ccc(Cl)nc2)C1 ZINC001496150699 1082721688 /nfs/dbraw/zinc/72/16/88/1082721688.db2.gz FRTZXIPXVRFBJU-CYBMUJFWSA-N 0 3 321.852 3.028 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1cccc(CC)c1 ZINC001267268093 1082728077 /nfs/dbraw/zinc/72/80/77/1082728077.db2.gz WASMRKPFXXBYKA-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC1CC(c2ccccc2)C1 ZINC001267271608 1082733572 /nfs/dbraw/zinc/73/35/72/1082733572.db2.gz YLYVTXMYIWHJBK-KVZIAJEVSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001131862628 1082747008 /nfs/dbraw/zinc/74/70/08/1082747008.db2.gz WHZZCENFXRBARJ-OCCSQVGLSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001267288239 1082752519 /nfs/dbraw/zinc/75/25/19/1082752519.db2.gz PCISCVWISOPETN-INIZCTEOSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001131886440 1082753883 /nfs/dbraw/zinc/75/38/83/1082753883.db2.gz JJWWBXJKDABBQM-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](C)N(CCOc2ccccc2)C1 ZINC001131895915 1082762859 /nfs/dbraw/zinc/76/28/59/1082762859.db2.gz NHEUZHBJXQNJGD-DLBZAZTESA-N 0 3 316.445 3.001 20 30 DGEDHN C#CCN(CCC)CCNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001267316600 1082786280 /nfs/dbraw/zinc/78/62/80/1082786280.db2.gz VVWOLONFUNRDFC-UHFFFAOYSA-N 0 3 320.864 3.042 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001131996327 1082788481 /nfs/dbraw/zinc/78/84/81/1082788481.db2.gz SUXFFIWUASJBNR-MJGOQNOKSA-N 0 3 312.457 3.268 20 30 DGEDHN Cc1cccc(CN2C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]2C)c1 ZINC001132018611 1082796684 /nfs/dbraw/zinc/79/66/84/1082796684.db2.gz XWQBOUGNLGBCLF-HKUYNNGSSA-N 0 3 312.457 3.124 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CCOCC)CCC2)CC[C@@H]1C ZINC001132050542 1082802022 /nfs/dbraw/zinc/80/20/22/1082802022.db2.gz OMDFKOWRESTTCK-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c(F)cc(C)cc1F)C1CC1 ZINC001267329461 1082802895 /nfs/dbraw/zinc/80/28/95/1082802895.db2.gz JECZWMQGUDGUKQ-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN CCc1cccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)c1 ZINC001132046586 1082806609 /nfs/dbraw/zinc/80/66/09/1082806609.db2.gz PUKLNRBDQFFHNQ-OXQOHEQNSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CCN(CCNC(=O)[C@@]1(C)CCCc2ccccc21)C1CC1 ZINC001267334773 1082810550 /nfs/dbraw/zinc/81/05/50/1082810550.db2.gz FMJCOICVSDDSSH-FQEVSTJZSA-N 0 3 312.457 3.047 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2c(s1)CCC2)C1CC1 ZINC001267337152 1082814510 /nfs/dbraw/zinc/81/45/10/1082814510.db2.gz JGGBKFZRNPCOPH-UHFFFAOYSA-N 0 3 304.459 3.007 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132114740 1082821918 /nfs/dbraw/zinc/82/19/18/1082821918.db2.gz HUVONKNKBLMVNT-HOCLYGCPSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccsc2)CC[C@@H]1C ZINC001132113403 1082822415 /nfs/dbraw/zinc/82/24/15/1082822415.db2.gz BSFFZVXVXNTTBL-GOEBONIOSA-N 0 3 306.475 3.226 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(F)cc2)CC[C@@H]1C ZINC001132157318 1082828070 /nfs/dbraw/zinc/82/80/70/1082828070.db2.gz NYLOGCQCNJRNBF-YJBOKZPZSA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(C)cc2)CC[C@@H]1C ZINC001132169482 1082829354 /nfs/dbraw/zinc/82/93/54/1082829354.db2.gz PDKPTYYBHANGCW-PKOBYXMFSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cccc(C)c2)CC[C@@H]1C ZINC001132206798 1082843353 /nfs/dbraw/zinc/84/33/53/1082843353.db2.gz NQXAFBBTIHJZBM-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132236091 1082854538 /nfs/dbraw/zinc/85/45/38/1082854538.db2.gz YBRLQLUUECQWBZ-PKOBYXMFSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132330312 1082882073 /nfs/dbraw/zinc/88/20/73/1082882073.db2.gz FMVTVYVBGRHRJL-HOTGVXAUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cc(C)cc(C)c2)CC[C@@H]1C ZINC001132410682 1082904783 /nfs/dbraw/zinc/90/47/83/1082904783.db2.gz MUVJCAHAAUANLY-HKUYNNGSSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cc(C)cc(C)c2)CC[C@H]1C ZINC001132410684 1082905042 /nfs/dbraw/zinc/90/50/42/1082905042.db2.gz MUVJCAHAAUANLY-MJGOQNOKSA-N 0 3 314.473 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001086683641 1082917562 /nfs/dbraw/zinc/91/75/62/1082917562.db2.gz XVQAYXHSLPZREC-QWHCGFSZSA-N 0 3 310.825 3.083 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2nc(C)c(C)s2)CC[C@H]1C ZINC001132489179 1082925209 /nfs/dbraw/zinc/92/52/09/1082925209.db2.gz HSBGLMHELWLREL-IUODEOHRSA-N 0 3 321.490 3.309 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)C[C@@H]2CC[C@H](C)O2)CCCCC1 ZINC001480949669 1082925660 /nfs/dbraw/zinc/92/56/60/1082925660.db2.gz LWFZOHKNLSDZFZ-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cc(C)sc2C)CC[C@H]1C ZINC001132524488 1082934023 /nfs/dbraw/zinc/93/40/23/1082934023.db2.gz HSYISIVTFWRKKW-DYVFJYSZSA-N 0 3 320.502 3.453 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2cnc(CC)s2)CC[C@H]1C ZINC001132530350 1082935482 /nfs/dbraw/zinc/93/54/82/1082935482.db2.gz XFLWORYTZWRIDS-KGLIPLIRSA-N 0 3 321.490 3.254 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001267482319 1082937866 /nfs/dbraw/zinc/93/78/66/1082937866.db2.gz RCDQZJGJHTZVGH-INIZCTEOSA-N 0 3 323.440 3.118 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001132569111 1082948449 /nfs/dbraw/zinc/94/84/49/1082948449.db2.gz KSMCNLNJCUNOKR-UONOGXRCSA-N 0 3 300.402 3.097 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001132651222 1082971894 /nfs/dbraw/zinc/97/18/94/1082971894.db2.gz VJLOBORXIBPZMS-LLVKDONJSA-N 0 3 300.855 3.210 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132659987 1082973412 /nfs/dbraw/zinc/97/34/12/1082973412.db2.gz GYCBROGHZALAQP-ZDUSSCGKSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)s1)c1ccccc1 ZINC001267517291 1082977051 /nfs/dbraw/zinc/97/70/51/1082977051.db2.gz KOQZENFMEBQQEQ-OAHLLOKOSA-N 0 3 300.427 3.303 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC001267520073 1082979226 /nfs/dbraw/zinc/97/92/26/1082979226.db2.gz IXIBRYXHZKXYEY-CABCVRRESA-N 0 3 308.372 3.055 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccc(C)c3C)C(C)(C)[C@@H]21 ZINC001087315529 1082986579 /nfs/dbraw/zinc/98/65/79/1082986579.db2.gz DIOJOUNAKPOLPR-GUDVDZBRSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(C)cc3C)C(C)(C)[C@H]21 ZINC001087315551 1082987459 /nfs/dbraw/zinc/98/74/59/1082987459.db2.gz DOLBZRROZAPRIN-QYZOEREBSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(C)cc1C ZINC001087315548 1082987523 /nfs/dbraw/zinc/98/75/23/1082987523.db2.gz DOLBZRROZAPRIN-CEXWTWQISA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001267525947 1082988691 /nfs/dbraw/zinc/98/86/91/1082988691.db2.gz JHWPYDOLLBFGKY-SFHVURJKSA-N 0 3 312.388 3.403 20 30 DGEDHN CCN(CCNC(=O)CC1CCCC1)Cc1ccc(C#N)cc1 ZINC001480959953 1083015991 /nfs/dbraw/zinc/01/59/91/1083015991.db2.gz WSGXHUNMPLRJLG-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2nccs2)C1 ZINC001133090922 1083048839 /nfs/dbraw/zinc/04/88/39/1083048839.db2.gz MFUCOSNHVDEWQF-LSDHHAIUSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)CC1 ZINC001267570162 1083057309 /nfs/dbraw/zinc/05/73/09/1083057309.db2.gz JOLRUMULPCYYPA-OSNGDGKXSA-N 0 3 310.869 3.314 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncccc1CC#N ZINC001170679111 1083098684 /nfs/dbraw/zinc/09/86/84/1083098684.db2.gz OWUAUPDTVHLGQQ-ZDUSSCGKSA-N 0 3 303.369 3.020 20 30 DGEDHN C=C1CCC(C(=O)NCCNCc2cccc(Cl)c2)CC1 ZINC001133362804 1083105638 /nfs/dbraw/zinc/10/56/38/1083105638.db2.gz WKEAUHWPCDEXQR-UHFFFAOYSA-N 0 3 306.837 3.292 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCC(C)C ZINC001133377320 1083109337 /nfs/dbraw/zinc/10/93/37/1083109337.db2.gz RCANHRAPZJHUTB-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@](C)(C=C)CC)c(F)c1 ZINC001279716014 1083109789 /nfs/dbraw/zinc/10/97/89/1083109789.db2.gz MDUNJOIKIRUKEB-GOSISDBHSA-N 0 3 304.409 3.320 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001133380342 1083111013 /nfs/dbraw/zinc/11/10/13/1083111013.db2.gz DMIPCKXFUZRBHJ-QGZVFWFLSA-N 0 3 324.852 3.157 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(C#N)cc(C#N)c1 ZINC001170682115 1083112361 /nfs/dbraw/zinc/11/23/61/1083112361.db2.gz KWJRURUGKGAMBL-ZDUSSCGKSA-N 0 3 313.364 3.302 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC1(C)CC1 ZINC001133402048 1083115556 /nfs/dbraw/zinc/11/55/56/1083115556.db2.gz WCTAXOVEANSKPS-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001267590859 1083116625 /nfs/dbraw/zinc/11/66/25/1083116625.db2.gz XLGOELRJXOVGCT-CYBMUJFWSA-N 0 3 306.372 3.075 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1ccccc1 ZINC001133526321 1083147120 /nfs/dbraw/zinc/14/71/20/1083147120.db2.gz TWNCDSZDGPRHGP-JKSUJKDBSA-N 0 3 321.424 3.245 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CCC(C)C ZINC001133605930 1083161669 /nfs/dbraw/zinc/16/16/69/1083161669.db2.gz BBFKESABLRCVNB-QWHCGFSZSA-N 0 3 319.287 3.204 20 30 DGEDHN CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133708863 1083177603 /nfs/dbraw/zinc/17/76/03/1083177603.db2.gz ZSUXIMQPNDNKMA-UONOGXRCSA-N 0 3 319.424 3.260 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104731398 1083196680 /nfs/dbraw/zinc/19/66/80/1083196680.db2.gz GXMLSYQXUAEIBA-UKRRQHHQSA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)/C(C)=C\CC ZINC001133839536 1083201629 /nfs/dbraw/zinc/20/16/29/1083201629.db2.gz GOTOBMTUAQRJLK-JSQQBDPTSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001267616377 1083206499 /nfs/dbraw/zinc/20/64/99/1083206499.db2.gz JTLIMKUCXYYOLZ-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133889467 1083208112 /nfs/dbraw/zinc/20/81/12/1083208112.db2.gz XAGIIGMIPBUPGO-UONOGXRCSA-N 0 3 317.408 3.036 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cccc2c1CCCCC2 ZINC001481139335 1083208906 /nfs/dbraw/zinc/20/89/06/1083208906.db2.gz ITSWVZAYJWKHER-UHFFFAOYSA-N 0 3 312.457 3.031 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001133887659 1083209589 /nfs/dbraw/zinc/20/95/89/1083209589.db2.gz AREJOHPUSHUUTG-QWHCGFSZSA-N 0 3 310.388 3.304 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001267619519 1083220272 /nfs/dbraw/zinc/22/02/72/1083220272.db2.gz QEDGSHMZOLSPIK-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001267620430 1083221864 /nfs/dbraw/zinc/22/18/64/1083221864.db2.gz AKQLFWRMMYDYSJ-UONOGXRCSA-N 0 3 321.490 3.254 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)CC1CCC1 ZINC001134026712 1083229242 /nfs/dbraw/zinc/22/92/42/1083229242.db2.gz RZDYLCWBLWLCLM-LSDHHAIUSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1sccc1C1CC1)C1CC1 ZINC001481197178 1083239638 /nfs/dbraw/zinc/23/96/38/1083239638.db2.gz DRBBUAAPQWLUHP-UHFFFAOYSA-N 0 3 304.459 3.396 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001134201409 1083256855 /nfs/dbraw/zinc/25/68/55/1083256855.db2.gz OSPOHYCFBNKJQP-KGLIPLIRSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CCc2ccc(Cl)cc2)C1 ZINC001267683189 1083261605 /nfs/dbraw/zinc/26/16/05/1083261605.db2.gz IYVRGUWQXSCXNS-UHFFFAOYSA-N 0 3 320.864 3.287 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(Cc3cc(C)cc(C)c3)C2)C1 ZINC001267693284 1083267801 /nfs/dbraw/zinc/26/78/01/1083267801.db2.gz YZEXSHRBMXNBRN-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCCC(=O)N(Cc1ccccc1)[C@@H]1CCCN(CC)C1 ZINC001267714533 1083279327 /nfs/dbraw/zinc/27/93/27/1083279327.db2.gz KAACOJKFRKFAER-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001267723942 1083283858 /nfs/dbraw/zinc/28/38/58/1083283858.db2.gz OSVCXEJXCIFRGF-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@@H](C)NCc1conc1C ZINC001134419269 1083287196 /nfs/dbraw/zinc/28/71/96/1083287196.db2.gz VPGXSQUYLJRGMB-KGLIPLIRSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001125864834 1083287154 /nfs/dbraw/zinc/28/71/54/1083287154.db2.gz FLQAYXCGBCYHAW-HNNXBMFYSA-N 0 3 306.425 3.318 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001134457696 1083295887 /nfs/dbraw/zinc/29/58/87/1083295887.db2.gz RYNOAUYDYIKPOJ-CHWSQXEVSA-N 0 3 321.465 3.267 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001125870118 1083310263 /nfs/dbraw/zinc/31/02/63/1083310263.db2.gz AMZRNFFFEPWNFQ-HNNXBMFYSA-N 0 3 306.425 3.318 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001267747477 1083314075 /nfs/dbraw/zinc/31/40/75/1083314075.db2.gz VXMHFLODHLLSCD-QGZVFWFLSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001267747916 1083314369 /nfs/dbraw/zinc/31/43/69/1083314369.db2.gz GVEZALKALKHWRB-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2cccc(Cl)c2)C1 ZINC001267767310 1083330526 /nfs/dbraw/zinc/33/05/26/1083330526.db2.gz FAJPTUSMXRKPRI-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001267776650 1083340196 /nfs/dbraw/zinc/34/01/96/1083340196.db2.gz LYGVURZFSLFFBJ-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C[C@@H](C)OC)C2)CCCCC1 ZINC001267777291 1083340560 /nfs/dbraw/zinc/34/05/60/1083340560.db2.gz MMHTYNRILDFBMU-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cc(C)ccc2F)C1 ZINC001267790503 1083348998 /nfs/dbraw/zinc/34/89/98/1083348998.db2.gz PSQZTJDMEQZCOF-QGZVFWFLSA-N 0 3 318.436 3.176 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCc2ccc(C)s2)C1 ZINC001267794642 1083351462 /nfs/dbraw/zinc/35/14/62/1083351462.db2.gz QGFOYQWVAYTNNC-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001267809769 1083359228 /nfs/dbraw/zinc/35/92/28/1083359228.db2.gz RVLKSQQSBRYKTB-MOPGFXCFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2(F)CCCCC2)CCCC1 ZINC001267844913 1083433503 /nfs/dbraw/zinc/43/35/03/1083433503.db2.gz OCCOVANBTHTIMH-UHFFFAOYSA-N 0 3 316.848 3.430 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1cccc(F)c1F)C1CC1 ZINC001267848030 1083444377 /nfs/dbraw/zinc/44/43/77/1083444377.db2.gz DRCCGTSCQYBOMR-GOSISDBHSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001267883937 1083514691 /nfs/dbraw/zinc/51/46/91/1083514691.db2.gz NHZQFYKLKHLYAX-OAHLLOKOSA-N 0 3 310.869 3.007 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001267928827 1083585161 /nfs/dbraw/zinc/58/51/61/1083585161.db2.gz FQBSDHYTQVXBCA-CKEIUWERSA-N 0 3 321.490 3.262 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(F)=C2CCCC2)cc1 ZINC001267936332 1083600416 /nfs/dbraw/zinc/60/04/16/1083600416.db2.gz MIMRNGZOVQUKQD-UHFFFAOYSA-N 0 3 314.404 3.213 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@]2(C)CCC[C@H]2CC)cc1 ZINC001267938490 1083605398 /nfs/dbraw/zinc/60/53/98/1083605398.db2.gz YFOPCKRUNPVWAZ-QUCCMNQESA-N 0 3 312.457 3.242 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001267943002 1083612435 /nfs/dbraw/zinc/61/24/35/1083612435.db2.gz VELDZFPINYIMNU-CQSZACIVSA-N 0 3 309.479 3.308 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203263936 1083635020 /nfs/dbraw/zinc/63/50/20/1083635020.db2.gz FYZPORJNMGTUHZ-ACCWSSFSSA-N 0 3 308.853 3.278 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001182423041 1083708906 /nfs/dbraw/zinc/70/89/06/1083708906.db2.gz NOFJMXAEWVBNIC-MRXNPFEDSA-N 0 3 324.424 3.173 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccc(C)nc1)c1ccccc1 ZINC001481360086 1083820214 /nfs/dbraw/zinc/82/02/14/1083820214.db2.gz KEKQYOUSQCNGPV-GOSISDBHSA-N 0 3 309.413 3.027 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001182931967 1083847117 /nfs/dbraw/zinc/84/71/17/1083847117.db2.gz AERWIEMFAMYVAF-CQSZACIVSA-N 0 3 308.372 3.012 20 30 DGEDHN C=C(CN1CCCC1)C(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC001183038769 1083858425 /nfs/dbraw/zinc/85/84/25/1083858425.db2.gz IOXOKDVFKBODKV-UHFFFAOYSA-N 0 3 315.348 3.071 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2c[nH]c3ccccc32)C1 ZINC001481402373 1083869688 /nfs/dbraw/zinc/86/96/88/1083869688.db2.gz WHZKNUCGXPCFLN-INIZCTEOSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C2CCC3(CC3)CC2)C1 ZINC001481402947 1083870858 /nfs/dbraw/zinc/87/08/58/1083870858.db2.gz IHTIKBCXYZDIKJ-GOSISDBHSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCCC(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001268034353 1083924816 /nfs/dbraw/zinc/92/48/16/1083924816.db2.gz OKPDRFXVAMCNFY-UHFFFAOYSA-N 0 3 317.260 3.128 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001110332381 1083930306 /nfs/dbraw/zinc/93/03/06/1083930306.db2.gz MQQBVHUSWZSVID-KFWWJZLASA-N 0 3 319.474 3.225 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001481530644 1084086285 /nfs/dbraw/zinc/08/62/85/1084086285.db2.gz LJBFBQVPXRAOEO-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001481535274 1084104630 /nfs/dbraw/zinc/10/46/30/1084104630.db2.gz XBHWQBXJGCQAOZ-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C#CCN(Cc1cccc(I)c1)C(C)C ZINC001184115811 1084110007 /nfs/dbraw/zinc/11/00/07/1084110007.db2.gz PFYYMKDBBDNFSF-UHFFFAOYSA-N 0 3 313.182 3.135 20 30 DGEDHN C=C(C)CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403925 1084172071 /nfs/dbraw/zinc/17/20/71/1084172071.db2.gz ORLRNNVVMPSHFM-OAHLLOKOSA-N 0 3 306.837 3.244 20 30 DGEDHN CN(CCN(C)C(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC001184742871 1084258621 /nfs/dbraw/zinc/25/86/21/1084258621.db2.gz QFUAFDZIBKJNRU-UHFFFAOYSA-N 0 3 322.412 3.154 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001185064433 1084328562 /nfs/dbraw/zinc/32/85/62/1084328562.db2.gz ODRYCJQFMNUZND-RHSMWYFYSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)C1CCCCC1 ZINC001167877901 1084350120 /nfs/dbraw/zinc/35/01/20/1084350120.db2.gz DCMWIVYNRYIKBH-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001268258617 1084422553 /nfs/dbraw/zinc/42/25/53/1084422553.db2.gz FFVGWTHOSPUZHA-OAHLLOKOSA-N 0 3 322.880 3.485 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC001268288351 1084456702 /nfs/dbraw/zinc/45/67/02/1084456702.db2.gz RIWNIQPZVZITKH-GOEBONIOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\c1ccccc1 ZINC001481668137 1084461365 /nfs/dbraw/zinc/46/13/65/1084461365.db2.gz QNJVLTNOLDZFDC-DPDNVUMASA-N 0 3 310.441 3.341 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C1CC1)C1CC1 ZINC001481683459 1084473205 /nfs/dbraw/zinc/47/32/05/1084473205.db2.gz UIIPROXWDGRXEY-IRXDYDNUSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001481725304 1084535626 /nfs/dbraw/zinc/53/56/26/1084535626.db2.gz AXRNFPOMAUEPLS-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001481735213 1084550808 /nfs/dbraw/zinc/55/08/08/1084550808.db2.gz LQYPMKHDHYHXGI-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCc1oc(C)nc1C ZINC001282313801 1084567021 /nfs/dbraw/zinc/56/70/21/1084567021.db2.gz PDATZMJGKQBCAI-UHFFFAOYSA-N 0 3 321.465 3.078 20 30 DGEDHN Cc1ccc(C(=O)N[C@@H](C)CCNCc2ccccc2C#N)cc1 ZINC001268417312 1084586143 /nfs/dbraw/zinc/58/61/43/1084586143.db2.gz PXAHBGBMBDGTNS-INIZCTEOSA-N 0 3 321.424 3.165 20 30 DGEDHN C=CCCCN1CC[C@H](N(CC)C(=O)c2scnc2CC)C1 ZINC001481769882 1084624603 /nfs/dbraw/zinc/62/46/03/1084624603.db2.gz WZLAVNIEAQMCKW-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@@H](NC[C@H](F)CC)C2)CCCCC1 ZINC001186280535 1084624717 /nfs/dbraw/zinc/62/47/17/1084624717.db2.gz DMMRKILBFAAQQZ-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@@H](NC/C=C/Cl)C2)CCCCC1 ZINC001186280619 1084624729 /nfs/dbraw/zinc/62/47/29/1084624729.db2.gz GEIHMRBEYVCCED-WCLQSUPFSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@@H](NC[C@@H](F)CC)C2)CCCCC1 ZINC001186280536 1084624931 /nfs/dbraw/zinc/62/49/31/1084624931.db2.gz DMMRKILBFAAQQZ-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001481780009 1084630072 /nfs/dbraw/zinc/63/00/72/1084630072.db2.gz YBUQGXMYJGKZAA-MJGOQNOKSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001481778351 1084630445 /nfs/dbraw/zinc/63/04/45/1084630445.db2.gz VKCDJNHGZZUFHN-HOTGVXAUSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccccc2F)CCCC1 ZINC001481886806 1084688044 /nfs/dbraw/zinc/68/80/44/1084688044.db2.gz IMAVLBOIHKPULI-UHFFFAOYSA-N 0 3 310.800 3.210 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3s2)C1 ZINC001186732365 1084694280 /nfs/dbraw/zinc/69/42/80/1084694280.db2.gz UYBYAIGERHGTCF-OAHLLOKOSA-N 0 3 312.438 3.037 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccsc1C)C1CC1 ZINC001481928966 1084710420 /nfs/dbraw/zinc/71/04/20/1084710420.db2.gz WABZREUMCBKSLA-HNNXBMFYSA-N 0 3 312.866 3.297 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 ZINC001481931250 1084713903 /nfs/dbraw/zinc/71/39/03/1084713903.db2.gz MPOVTEJNYCIICD-KKBFJZEXSA-N 0 3 322.880 3.216 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001481981660 1084744022 /nfs/dbraw/zinc/74/40/22/1084744022.db2.gz VMFPHLLNXCQEIZ-AWEZNQCLSA-N 0 3 316.848 3.240 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001481983404 1084745332 /nfs/dbraw/zinc/74/53/32/1084745332.db2.gz IIAMAXPZOHVODG-OLZOCXBDSA-N 0 3 322.827 3.249 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001268544663 1084796708 /nfs/dbraw/zinc/79/67/08/1084796708.db2.gz RTIWHHMAGQVUEH-WAYWQWQTSA-N 0 3 322.399 3.329 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001268574341 1084831293 /nfs/dbraw/zinc/83/12/93/1084831293.db2.gz SUVRDBXEFAZVCU-VOTSOKGWSA-N 0 3 318.436 3.498 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001268603081 1084890059 /nfs/dbraw/zinc/89/00/59/1084890059.db2.gz KRMLJEJHPWSDBS-IIAQQRLMSA-N 0 3 304.478 3.124 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001268639218 1084907429 /nfs/dbraw/zinc/90/74/29/1084907429.db2.gz IZTXZXWERDRSDA-SXSSENBOSA-N 0 3 318.848 3.142 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)CCC1 ZINC001268658403 1084922762 /nfs/dbraw/zinc/92/27/62/1084922762.db2.gz VOKNOTLWZHJWBC-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268693477 1084949257 /nfs/dbraw/zinc/94/92/57/1084949257.db2.gz DHSLVWATMDBGSC-STQMWFEESA-N 0 3 321.490 3.286 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001268741493 1085013957 /nfs/dbraw/zinc/01/39/57/1085013957.db2.gz SBIBICKJWKXQSR-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C#CCCCCCC(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001268862350 1085069918 /nfs/dbraw/zinc/06/99/18/1085069918.db2.gz HJMZCDZLUGGVJY-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN C=CCC1(C(=O)NCC2CN(Cc3ccccc3C)C2)CCC1 ZINC001268874154 1085072121 /nfs/dbraw/zinc/07/21/21/1085072121.db2.gz GFGGSOHVNQWOEM-UHFFFAOYSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(F)(F)C1 ZINC001268947175 1085086900 /nfs/dbraw/zinc/08/69/00/1085086900.db2.gz DZCLLHDBMLPHGT-ILXRZTDVSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001269069593 1085111611 /nfs/dbraw/zinc/11/16/11/1085111611.db2.gz RYWPXTPTQMVGML-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1scnc1C)C1CC1 ZINC001269121059 1085135920 /nfs/dbraw/zinc/13/59/20/1085135920.db2.gz ZONXNZWYGXPYON-CQSZACIVSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001269121085 1085135988 /nfs/dbraw/zinc/13/59/88/1085135988.db2.gz ZYNRWFCJFYIIAH-QGZVFWFLSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001269159775 1085171020 /nfs/dbraw/zinc/17/10/20/1085171020.db2.gz VVNRJBSQELKIKC-HUUCEWRRSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001269241703 1085231242 /nfs/dbraw/zinc/23/12/42/1085231242.db2.gz XDDJOXVOZJASGO-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001269291888 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C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001269755102 1085555102 /nfs/dbraw/zinc/55/51/02/1085555102.db2.gz JFZNWKRYDGKKLV-RDJZCZTQSA-N 0 3 310.869 3.314 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC1CCCC1 ZINC001482251573 1085612681 /nfs/dbraw/zinc/61/26/81/1085612681.db2.gz XVVYYIKNHPYBGM-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN CC(C)=CC(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001482253246 1085622959 /nfs/dbraw/zinc/62/29/59/1085622959.db2.gz QLGMTUDNUQNTMX-HNNXBMFYSA-N 0 3 318.848 3.094 20 30 DGEDHN CC(C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001482256149 1085640163 /nfs/dbraw/zinc/64/01/63/1085640163.db2.gz ZVDDEMPITADOPU-AWEZNQCLSA-N 0 3 319.424 3.070 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001482256893 1085643666 /nfs/dbraw/zinc/64/36/66/1085643666.db2.gz DAKHMVJIMFOSOE-HUUCEWRRSA-N 0 3 320.864 3.174 20 30 DGEDHN C=C(C)CCC(=O)NC1(C)CCN(CCOCC2CCC2)CC1 ZINC001270231666 1085742660 /nfs/dbraw/zinc/74/26/60/1085742660.db2.gz 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1086156209 /nfs/dbraw/zinc/15/62/09/1086156209.db2.gz HBHYAYNTSPJWPL-OVJSSFAUSA-N 0 3 319.276 3.344 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CCCC2CCCC2)CC1 ZINC001270926662 1086193284 /nfs/dbraw/zinc/19/32/84/1086193284.db2.gz YYEZTLBOXLQTBF-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCc1ncc(C)s1 ZINC001482444825 1086200926 /nfs/dbraw/zinc/20/09/26/1086200926.db2.gz QWJVOFKQIKSNMB-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001270948420 1086209843 /nfs/dbraw/zinc/20/98/43/1086209843.db2.gz RZAHMEQQMLMKRD-KBPBESRZSA-N 0 3 322.399 3.266 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001270973579 1086224521 /nfs/dbraw/zinc/22/45/21/1086224521.db2.gz CUXBBIPOVBUUBH-MSOLQXFVSA-N 0 3 310.457 3.146 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C12CCC(CC1)C2 ZINC001271013878 1086250402 /nfs/dbraw/zinc/25/04/02/1086250402.db2.gz RUCPZKSBKBIZGU-OCDPCBSRSA-N 0 3 324.468 3.055 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C2=CCCC2)CCN1Cc1ccc(C#N)cc1 ZINC001087540527 1086255304 /nfs/dbraw/zinc/25/53/04/1086255304.db2.gz ZCCJMWHDHGRBRT-RBUKOAKNSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC=C)CC1 ZINC001105394318 1086259947 /nfs/dbraw/zinc/25/99/47/1086259947.db2.gz UKXCOYLWQLHXHO-LJQANCHMSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CN(CCCF)CCC1(F)F ZINC001271094789 1086290641 /nfs/dbraw/zinc/29/06/41/1086290641.db2.gz ZWKJYZRININODU-ZDUSSCGKSA-N 0 3 320.399 3.022 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001482457209 1086295620 /nfs/dbraw/zinc/29/56/20/1086295620.db2.gz QYHRDHDVCNCTMF-KGLIPLIRSA-N 0 3 304.837 3.094 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2C(F)F)[C@H]1CC ZINC001087574420 1086310192 /nfs/dbraw/zinc/31/01/92/1086310192.db2.gz FRGBCAVRUNWEFU-QWHCGFSZSA-N 0 3 314.401 3.454 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CCC)s2)[C@H]1CC ZINC001087588526 1086318027 /nfs/dbraw/zinc/31/80/27/1086318027.db2.gz 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1086412707 /nfs/dbraw/zinc/41/27/07/1086412707.db2.gz QWCJMUAIEQLQTH-RBUKOAKNSA-N 0 3 310.441 3.415 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H]1CC ZINC001087827941 1086431282 /nfs/dbraw/zinc/43/12/82/1086431282.db2.gz RVIKVHCFLNZZAP-ZWKOTPCHSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)[C@H]1CC ZINC001087835444 1086435433 /nfs/dbraw/zinc/43/54/33/1086435433.db2.gz AAMQWMWPEWEGQY-AFAVFJNCSA-N 0 3 322.399 3.223 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)[C@H]1CC ZINC001087846026 1086443509 /nfs/dbraw/zinc/44/35/09/1086443509.db2.gz FAJYLGFKMIPTDG-WZOJCFFYSA-N 0 3 312.457 3.335 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1CC ZINC001271445671 1086634018 /nfs/dbraw/zinc/63/40/18/1086634018.db2.gz HNNAYDUJWNSNTK-IAGOWNOFSA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(CF)CCC1)c1ccccc1CC ZINC001271446457 1086635161 /nfs/dbraw/zinc/63/51/61/1086635161.db2.gz NHWZNEDTYPUHPA-KRWDZBQOSA-N 0 3 318.436 3.322 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1CC ZINC001271448207 1086642378 /nfs/dbraw/zinc/64/23/78/1086642378.db2.gz WBXZYMXYILEBCI-QZTJIDSGSA-N 0 3 312.457 3.065 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001271492284 1086668737 /nfs/dbraw/zinc/66/87/37/1086668737.db2.gz YMZCVBXMDOUBRQ-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN C[C@H]1CCCN(C(=O)C2CCC2)[C@@H]1CNCC#Cc1ccccc1 ZINC001271688606 1086702361 /nfs/dbraw/zinc/70/23/61/1086702361.db2.gz PVWUPAVRLBZLDU-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)C(=O)OCCNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001168074246 1086735181 /nfs/dbraw/zinc/73/51/81/1086735181.db2.gz XQGGUZDETAMIQY-UHFFFAOYSA-N 0 3 324.302 3.207 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CCCCC)C(C)C)C[C@]2(C)C1 ZINC001101421416 1086768283 /nfs/dbraw/zinc/76/82/83/1086768283.db2.gz FUAKVXXGZGPUHJ-GGPKGHCWSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C(F)=C(C)C)C1 ZINC001088294746 1086773148 /nfs/dbraw/zinc/77/31/48/1086773148.db2.gz GHASRKACLJYWKM-ZDUSSCGKSA-N 0 3 302.821 3.363 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2coc(C)c2)C1 ZINC001088302576 1086777683 /nfs/dbraw/zinc/77/76/83/1086777683.db2.gz DYCNYDOARWUUEN-OAHLLOKOSA-N 0 3 310.825 3.315 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@]12C[C@H]1CCCC2 ZINC001271819620 1086781620 /nfs/dbraw/zinc/78/16/20/1086781620.db2.gz OXPAPSCAEQAWIL-TZIWHRDSSA-N 0 3 324.468 3.208 20 30 DGEDHN CC(C)[C@H](CNC(=O)C#CC1CC1)NCc1sccc1Cl ZINC001271836714 1086787212 /nfs/dbraw/zinc/78/72/12/1086787212.db2.gz CEABOJPRVLNBRZ-AWEZNQCLSA-N 0 3 324.877 3.045 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)c(OC)c1)C(C)C ZINC001271869526 1086799238 /nfs/dbraw/zinc/79/92/38/1086799238.db2.gz PLSDTUBPKJVXHO-HNNXBMFYSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001088333281 1086805384 /nfs/dbraw/zinc/80/53/84/1086805384.db2.gz GPOGATDXKFBAHN-CHWSQXEVSA-N 0 3 320.811 3.145 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1c(C)noc1C)C(C)C ZINC001271908223 1086827087 /nfs/dbraw/zinc/82/70/87/1086827087.db2.gz NASWEKLFGWXCAZ-INIZCTEOSA-N 0 3 321.465 3.124 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccccc1C)C(C)C ZINC001271930044 1086841474 /nfs/dbraw/zinc/84/14/74/1086841474.db2.gz IPPNPBFJEVBWCP-MRXNPFEDSA-N 0 3 308.853 3.020 20 30 DGEDHN C=Cc1ccc(C(=O)NC[C@@H](NCC(=C)Cl)C(C)C)cc1 ZINC001482554548 1086881360 /nfs/dbraw/zinc/88/13/60/1086881360.db2.gz YAMPDDWMGFDIRE-MRXNPFEDSA-N 0 3 306.837 3.426 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001272076050 1087070966 /nfs/dbraw/zinc/07/09/66/1087070966.db2.gz PYVXENNWGVFRFG-UHFFFAOYSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@H](C)CCC)[C@H](OC)C1 ZINC001212009398 1087135261 /nfs/dbraw/zinc/13/52/61/1087135261.db2.gz PYSULYZPSKDVJQ-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(CC)s1 ZINC001482849093 1087170958 /nfs/dbraw/zinc/17/09/58/1087170958.db2.gz AUOVTSHQINXCCI-NSHDSACASA-N 0 3 300.855 3.161 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1ccc(F)c(F)c1 ZINC001483043150 1087272254 /nfs/dbraw/zinc/27/22/54/1087272254.db2.gz SROKNHFAOUJFDI-AATRIKPKSA-N 0 3 322.399 3.329 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001483047599 1087285322 /nfs/dbraw/zinc/28/53/22/1087285322.db2.gz LWVVVZIBXCOBLA-SREVYHEPSA-N 0 3 318.848 3.296 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(C)cccc2Cl)[C@H]1C ZINC001088705048 1087305105 /nfs/dbraw/zinc/30/51/05/1087305105.db2.gz UIOKOKXOERNIQW-PBHICJAKSA-N 0 3 320.864 3.346 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001483058617 1087311674 /nfs/dbraw/zinc/31/16/74/1087311674.db2.gz JZNSVTVMPRQVOI-OZSKJFCKSA-N 0 3 312.457 3.028 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001483058619 1087311908 /nfs/dbraw/zinc/31/19/08/1087311908.db2.gz JZNSVTVMPRQVOI-QWPQOLDESA-N 0 3 312.457 3.028 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cc3ccccc3s2)[C@H]1C ZINC001088742655 1087328005 /nfs/dbraw/zinc/32/80/05/1087328005.db2.gz DMQFJRJWSLGTMY-CJNGLKHVSA-N 0 3 314.454 3.209 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)[C@H]1C ZINC001088751451 1087331587 /nfs/dbraw/zinc/33/15/87/1087331587.db2.gz PTAATAAXWWUOOA-XWIAVFTESA-N 0 3 316.420 3.011 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)[C@H]1C ZINC001088776735 1087349600 /nfs/dbraw/zinc/34/96/00/1087349600.db2.gz MPPQQJCNDNCYRQ-BEFAXECRSA-N 0 3 312.457 3.262 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001483115190 1087359531 /nfs/dbraw/zinc/35/95/31/1087359531.db2.gz XYPILPLFHPCUBX-BDJLRTHQSA-N 0 3 308.372 3.013 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2ccccc2F)CC1 ZINC001483163446 1087409246 /nfs/dbraw/zinc/40/92/46/1087409246.db2.gz AQQPVPQOZJKOES-CQSZACIVSA-N 0 3 304.409 3.166 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN[C@@H](C)c2ccccc2F)cc1 ZINC001483255005 1087451580 /nfs/dbraw/zinc/45/15/80/1087451580.db2.gz LJVOCDPMPWKJMP-GJZGRUSLSA-N 0 3 324.399 3.276 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@H](C)c1cccc(F)c1 ZINC001483330346 1087472917 /nfs/dbraw/zinc/47/29/17/1087472917.db2.gz CDOWHVIDJWPSJU-LSDHHAIUSA-N 0 3 304.409 3.127 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001483405028 1087493182 /nfs/dbraw/zinc/49/31/82/1087493182.db2.gz GDPXXXKWMKLIJT-ZIAGYGMSSA-N 0 3 300.402 3.159 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC[C@H]1CC ZINC001483500769 1087516330 /nfs/dbraw/zinc/51/63/30/1087516330.db2.gz ACUWXMSMGXGRRL-CABCVRRESA-N 0 3 300.874 3.393 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C)C1 ZINC001496599856 1087522469 /nfs/dbraw/zinc/52/24/69/1087522469.db2.gz ZSQWXRGWTRTNCD-LBPRGKRZSA-N 0 3 319.276 3.392 20 30 DGEDHN C#CCCCC(=O)N[C@H](CN[C@@H](C)c1ccccc1F)C1CC1 ZINC001483559092 1087525540 /nfs/dbraw/zinc/52/55/40/1087525540.db2.gz ZVWOCTPPJGKFLL-KBXCAEBGSA-N 0 3 316.420 3.175 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]2(C)C=CCC2)C1 ZINC001103332153 1087555999 /nfs/dbraw/zinc/55/59/99/1087555999.db2.gz ILAYXQFJJCXYEQ-FRFSOERESA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001105836400 1087559003 /nfs/dbraw/zinc/55/90/03/1087559003.db2.gz KOIQOGTTXJAOQU-OWCLPIDISA-N 0 3 316.445 3.045 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120429979 1087578580 /nfs/dbraw/zinc/57/85/80/1087578580.db2.gz FSAFAMQEVADKMO-JKSUJKDBSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1C ZINC001088858402 1087583021 /nfs/dbraw/zinc/58/30/21/1087583021.db2.gz ZERWTNSQQHWPNT-CJNGLKHVSA-N 0 3 301.434 3.051 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)[C@H]1C ZINC001088910088 1087602596 /nfs/dbraw/zinc/60/25/96/1087602596.db2.gz RLAOOSHKOPFVJT-FPCVCCKLSA-N 0 3 318.486 3.315 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)[C@H]1C ZINC001088928187 1087605687 /nfs/dbraw/zinc/60/56/87/1087605687.db2.gz QYYBGHQFMIJGBY-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1C ZINC001088989322 1087615788 /nfs/dbraw/zinc/61/57/88/1087615788.db2.gz OSZQDLRFVDMOLS-NUJGCVRESA-N 0 3 300.446 3.254 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOC ZINC001099092257 1087628301 /nfs/dbraw/zinc/62/83/01/1087628301.db2.gz AGMJKIPDVWIWKL-KRWDZBQOSA-N 0 3 322.493 3.008 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCCc3ccccc32)[C@H]1C ZINC001089066020 1087630576 /nfs/dbraw/zinc/63/05/76/1087630576.db2.gz NMCPGYDBIAWMFI-UXPWSPDFSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001483688718 1087655333 /nfs/dbraw/zinc/65/53/33/1087655333.db2.gz KPLNDLNKYZNAAP-HNNXBMFYSA-N 0 3 316.420 3.014 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001483730192 1087713159 /nfs/dbraw/zinc/71/31/59/1087713159.db2.gz FIAQFQXSJDHSSW-ZDUSSCGKSA-N 0 3 320.383 3.068 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc3c(c2)CCC3)C1=O ZINC001272538821 1087789492 /nfs/dbraw/zinc/78/94/92/1087789492.db2.gz UJKLETSACGMEKR-NRFANRHFSA-N 0 3 324.468 3.318 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2F)CC(C)(C)C1 ZINC001089302233 1087797023 /nfs/dbraw/zinc/79/70/23/1087797023.db2.gz AVTAECWUSRLAHD-HNNXBMFYSA-N 0 3 316.420 3.069 20 30 DGEDHN CCCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001151880362 1087807621 /nfs/dbraw/zinc/80/76/21/1087807621.db2.gz TWKMVYFNGOABDL-MRXNPFEDSA-N 0 3 315.461 3.465 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cc(F)ccc1F ZINC001158411719 1087824048 /nfs/dbraw/zinc/82/40/48/1087824048.db2.gz HGZJESIXONBUMH-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1cccs1 ZINC001158480527 1087857801 /nfs/dbraw/zinc/85/78/01/1087857801.db2.gz NFYLHZZGFNJMCB-HUUCEWRRSA-N 0 3 306.475 3.351 20 30 DGEDHN CN1CCC(N(c2ccc3[nH]c(C#N)cc3n2)C2CCCC2)CC1 ZINC001158487622 1087862057 /nfs/dbraw/zinc/86/20/57/1087862057.db2.gz JWNKFGVDUWDPTN-UHFFFAOYSA-N 0 3 323.444 3.278 20 30 DGEDHN Cc1cc(C#N)cc(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)n1 ZINC001158522268 1087891292 /nfs/dbraw/zinc/89/12/92/1087891292.db2.gz XPEMCTKMLRRVQW-IAGOWNOFSA-N 0 3 320.440 3.361 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc([C@H](C)CC)no1 ZINC001158565462 1087917549 /nfs/dbraw/zinc/91/75/49/1087917549.db2.gz OCZQEWVPBOCENM-HUUCEWRRSA-N 0 3 319.449 3.301 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001158565588 1087918209 /nfs/dbraw/zinc/91/82/09/1087918209.db2.gz SXEWROFQLAXHDD-QRVBRYPASA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccccc1 ZINC001158781081 1088027286 /nfs/dbraw/zinc/02/72/86/1088027286.db2.gz LAMZTHWUKUDFQU-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1CCC(C)(C)CC1 ZINC001276405967 1088082937 /nfs/dbraw/zinc/08/29/37/1088082937.db2.gz SRDMFRBPQGJLPZ-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCNCc1oc(CCC)nc1C ZINC001158887222 1088082972 /nfs/dbraw/zinc/08/29/72/1088082972.db2.gz RWKRKIKDCYILAG-UHFFFAOYSA-N 0 3 321.465 3.134 20 30 DGEDHN CCC[C@@H](CC(C)C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001152877250 1088103215 /nfs/dbraw/zinc/10/32/15/1088103215.db2.gz ZUQHPKCURFGNMH-SFHVURJKSA-N 0 3 315.461 3.226 20 30 DGEDHN N#Cc1ccc(CNc2ncccc2CN2CCCC2)cc1F ZINC001159087221 1088176678 /nfs/dbraw/zinc/17/66/78/1088176678.db2.gz XRABDFKMBUBUHT-UHFFFAOYSA-N 0 3 310.376 3.300 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCNC[C@@H](F)CC)c1ccccc1 ZINC001153824695 1088374349 /nfs/dbraw/zinc/37/43/49/1088374349.db2.gz LFKJOGLGESQPKZ-DLBZAZTESA-N 0 3 306.425 3.190 20 30 DGEDHN C=CCC[C@H](C(=O)NCCNC[C@@H](F)CC)c1ccccc1 ZINC001153824697 1088374685 /nfs/dbraw/zinc/37/46/85/1088374685.db2.gz LFKJOGLGESQPKZ-IRXDYDNUSA-N 0 3 306.425 3.190 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C)cc2C)C1=O ZINC001272640279 1088380397 /nfs/dbraw/zinc/38/03/97/1088380397.db2.gz WOZACTAJGAXPSA-FQEVSTJZSA-N 0 3 312.457 3.446 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN(Cc3cc(C)ccc3C)CC2)C1=O ZINC001272640490 1088382125 /nfs/dbraw/zinc/38/21/25/1088382125.db2.gz ZYBSOUYRPISXPC-NRFANRHFSA-N 0 3 324.468 3.141 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1coc2cc(F)ccc21 ZINC001154107421 1088479637 /nfs/dbraw/zinc/47/96/37/1088479637.db2.gz LCPIXBDWBLOYDM-CYBMUJFWSA-N 0 3 316.376 3.035 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2ccccc2cc1F ZINC001154269680 1088544037 /nfs/dbraw/zinc/54/40/37/1088544037.db2.gz SMDJOXUOHSAOMN-CQSZACIVSA-N 0 3 312.388 3.052 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)coc2C)CC(C)(C)C1 ZINC001089378251 1088552756 /nfs/dbraw/zinc/55/27/56/1088552756.db2.gz WWIWIEJLMKSCKZ-MRXNPFEDSA-N 0 3 316.445 3.140 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ccccc1 ZINC001099319507 1088557964 /nfs/dbraw/zinc/55/79/64/1088557964.db2.gz ADOXMHVPJDVJQY-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC(C)(C)C1 ZINC001089445945 1088615473 /nfs/dbraw/zinc/61/54/73/1088615473.db2.gz PVEZXJLDFDOYSY-XLAORIBOSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(C)cc1C ZINC001154509917 1088637973 /nfs/dbraw/zinc/63/79/73/1088637973.db2.gz WUQPVYNXDKUZDZ-GOSISDBHSA-N 0 3 314.473 3.086 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)CC(C)(C)C1 ZINC001089475366 1088665709 /nfs/dbraw/zinc/66/57/09/1088665709.db2.gz BDILADDXEXZZKT-ZDUSSCGKSA-N 0 3 324.371 3.071 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)CC(C)(C)C1 ZINC001089477009 1088665948 /nfs/dbraw/zinc/66/59/48/1088665948.db2.gz JAKFNSWNUKSJMD-HNNXBMFYSA-N 0 3 314.429 3.011 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001160168832 1088683689 /nfs/dbraw/zinc/68/36/89/1088683689.db2.gz AVBLCUMIYZHPGQ-DLBZAZTESA-N 0 3 304.478 3.383 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC(C)(C)C1 ZINC001089540439 1088724787 /nfs/dbraw/zinc/72/47/87/1088724787.db2.gz VPFMCUBUAXULOS-GBESFXJTSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2c(C)cccc2C)CC1 ZINC001160257879 1088726839 /nfs/dbraw/zinc/72/68/39/1088726839.db2.gz IOVBXSUYXBAPRX-UHFFFAOYSA-N 0 3 312.457 3.170 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)CC(C)(C)C1 ZINC001089553487 1088741457 /nfs/dbraw/zinc/74/14/57/1088741457.db2.gz JUSSHGSVDAWWJA-OAHLLOKOSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)CC(C)(C)C1 ZINC001089564931 1088751415 /nfs/dbraw/zinc/75/14/15/1088751415.db2.gz KXPCDUULDNAHHF-HIEASXQVSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCC1(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)CCCCC1 ZINC001154888182 1088811697 /nfs/dbraw/zinc/81/16/97/1088811697.db2.gz CLBGMWHURIPARU-QGZVFWFLSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(CCC)cc1 ZINC001154909874 1088824273 /nfs/dbraw/zinc/82/42/73/1088824273.db2.gz VDSCTXVQDJUXNL-MRXNPFEDSA-N 0 3 300.446 3.103 20 30 DGEDHN CCCC[C@@H](CC)C(=O)NCCCNCc1ccccc1C#N ZINC001154917473 1088825630 /nfs/dbraw/zinc/82/56/30/1088825630.db2.gz VQHMZZUBCDAYIW-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001089625932 1088843681 /nfs/dbraw/zinc/84/36/81/1088843681.db2.gz VYGGEJAVTMQOMO-HNNXBMFYSA-N 0 3 303.450 3.120 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnccc1C ZINC001089625738 1088845096 /nfs/dbraw/zinc/84/50/96/1088845096.db2.gz QJNXOXVSWDJSJV-MRXNPFEDSA-N 0 3 315.461 3.187 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001089625773 1088845349 /nfs/dbraw/zinc/84/53/49/1088845349.db2.gz RHVZBOWBUJZGPG-KRWDZBQOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001160530507 1088853667 /nfs/dbraw/zinc/85/36/67/1088853667.db2.gz JXEBKKKHWYIXAE-ROUUACIJSA-N 0 3 316.445 3.050 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001089637039 1088861860 /nfs/dbraw/zinc/86/18/60/1088861860.db2.gz JBWPVAQAMFHABP-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001155211083 1089010553 /nfs/dbraw/zinc/01/05/53/1089010553.db2.gz OCTIZFXFLITMHD-DLBZAZTESA-N 0 3 314.473 3.202 20 30 DGEDHN C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)C1(N)CC1 ZINC001160949652 1089039030 /nfs/dbraw/zinc/03/90/30/1089039030.db2.gz UZOOWGZYDTVGRJ-HNNXBMFYSA-N 0 3 319.408 3.139 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ccc(COC2CCC2)cn1 ZINC001160957008 1089041722 /nfs/dbraw/zinc/04/17/22/1089041722.db2.gz BCARESMTQRMHNG-INIZCTEOSA-N 0 3 301.434 3.213 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001089658538 1089046523 /nfs/dbraw/zinc/04/65/23/1089046523.db2.gz LYPSSUVEDRPAEI-HNNXBMFYSA-N 0 3 303.450 3.038 20 30 DGEDHN C#CCN(C(=O)C=C(C)C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001483979212 1089064183 /nfs/dbraw/zinc/06/41/83/1089064183.db2.gz RFTAOVUZHWNRTB-UHFFFAOYSA-N 0 3 324.468 3.387 20 30 DGEDHN C#CCN(C(=O)C(F)=C1CCCC1)C1CCN(CC(=C)C)CC1 ZINC001483982018 1089067099 /nfs/dbraw/zinc/06/70/99/1089067099.db2.gz FUEFVFPTDYZNIK-UHFFFAOYSA-N 0 3 318.436 3.286 20 30 DGEDHN CC#CCNC[C@H](NC(=O)C(C)C)c1ccc2ccccc2c1 ZINC001483993072 1089079028 /nfs/dbraw/zinc/07/90/28/1089079028.db2.gz SLYYRYJOLSFAAR-IBGZPJMESA-N 0 3 308.425 3.266 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc(Cl)c2F)CC1 ZINC001161084446 1089109427 /nfs/dbraw/zinc/10/94/27/1089109427.db2.gz LPZWZALYICSUOT-UHFFFAOYSA-N 0 3 322.811 3.417 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)CN2CC(=C)C)cc1 ZINC001089678119 1089122965 /nfs/dbraw/zinc/12/29/65/1089122965.db2.gz MGGHROKRBJNLAB-LJQANCHMSA-N 0 3 324.468 3.464 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001155469259 1089125580 /nfs/dbraw/zinc/12/55/80/1089125580.db2.gz HACZQRZKJBOGCU-BDXSIMOUSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001155469269 1089126710 /nfs/dbraw/zinc/12/67/10/1089126710.db2.gz HACZQRZKJBOGCU-IKGGRYGDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(CCc2ccccc2F)C1 ZINC001484047380 1089136577 /nfs/dbraw/zinc/13/65/77/1089136577.db2.gz BCIDNTLPSAHDPA-LJQANCHMSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCc2cccc(Cl)c2)C1 ZINC001484055785 1089146055 /nfs/dbraw/zinc/14/60/55/1089146055.db2.gz WXZXNIIDWGJALK-KRWDZBQOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001089686312 1089162571 /nfs/dbraw/zinc/16/25/71/1089162571.db2.gz PNWNFZLCAXJCHS-INIZCTEOSA-N 0 3 317.477 3.223 20 30 DGEDHN C=CCN(C(=O)[C@@H](NC)[C@@H](C)OC(C)(C)C)C1CCCCC1 ZINC001161247797 1089168666 /nfs/dbraw/zinc/16/86/66/1089168666.db2.gz KNCOPUGZVBHUMI-ZBFHGGJFSA-N 0 3 310.482 3.125 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC)CC1CCCC1 ZINC001155602579 1089179581 /nfs/dbraw/zinc/17/95/81/1089179581.db2.gz ZUENQVFKWWGSGL-SJLPKXTDSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC1CCCC1)C(C)C ZINC001155602085 1089181152 /nfs/dbraw/zinc/18/11/52/1089181152.db2.gz RBUIOULPVMSJIT-SJLPKXTDSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1C ZINC001155612098 1089185623 /nfs/dbraw/zinc/18/56/23/1089185623.db2.gz OAFWQJCAJJULMG-QZTJIDSGSA-N 0 3 314.473 3.339 20 30 DGEDHN N#Cc1cc(N[C@H]2CN3CCC2CC3)nc2ccc(Cl)cc12 ZINC001155666915 1089206795 /nfs/dbraw/zinc/20/67/95/1089206795.db2.gz AKWQARNEEPAHIV-INIZCTEOSA-N 0 3 312.804 3.266 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001155681125 1089213535 /nfs/dbraw/zinc/21/35/35/1089213535.db2.gz FISFFTJTWWWCDI-IEBWSBKVSA-N 0 3 314.473 3.276 20 30 DGEDHN C=C(Br)CNCCCNC(=O)CCCC(C)(C)C ZINC001155702362 1089216740 /nfs/dbraw/zinc/21/67/40/1089216740.db2.gz WEAODTMLQLKDKT-UHFFFAOYSA-N 0 3 319.287 3.207 20 30 DGEDHN C#CCCCC(=O)NC[C@@]1(C)CCCN(Cc2ccsc2)C1 ZINC001484155891 1089236405 /nfs/dbraw/zinc/23/64/05/1089236405.db2.gz FKSDDBNYVJBYAU-GOSISDBHSA-N 0 3 318.486 3.270 20 30 DGEDHN CCN1CCCC[C@H]1c1ccc(NC2(C#N)CCOCC2)nc1 ZINC001161485100 1089260067 /nfs/dbraw/zinc/26/00/67/1089260067.db2.gz ZPMAVSFIXRBMMO-INIZCTEOSA-N 0 3 314.433 3.113 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc3c2ccn3C)CC1 ZINC001161496782 1089264032 /nfs/dbraw/zinc/26/40/32/1089264032.db2.gz GMMYWNBBFGSAFI-UHFFFAOYSA-N 0 3 323.440 3.116 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001089725519 1089302474 /nfs/dbraw/zinc/30/24/74/1089302474.db2.gz JEYHGKADIQKLJG-AWEZNQCLSA-N 0 3 319.449 3.034 20 30 DGEDHN CCCCCC[C@@H](C)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001155924259 1089304383 /nfs/dbraw/zinc/30/43/83/1089304383.db2.gz FGMAMGHWBQYPFQ-QZTJIDSGSA-N 0 3 324.509 3.069 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@H](C)CC(C)C)CC1 ZINC001161674784 1089339176 /nfs/dbraw/zinc/33/91/76/1089339176.db2.gz WWRUZFLVYTYHSC-QGZVFWFLSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ncsc2C(C)C)CC1 ZINC001161694414 1089351786 /nfs/dbraw/zinc/35/17/86/1089351786.db2.gz MTIZSCJYRHAGDB-UHFFFAOYSA-N 0 3 319.474 3.205 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001161771064 1089394936 /nfs/dbraw/zinc/39/49/36/1089394936.db2.gz HANIBLVFEOGGQC-UHFFFAOYSA-N 0 3 310.441 3.079 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2ccco2)s1 ZINC001156149674 1089406230 /nfs/dbraw/zinc/40/62/30/1089406230.db2.gz UETYFFGPCUDPNK-CYBMUJFWSA-N 0 3 316.426 3.082 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC2CCC1CC2 ZINC001484401940 1089407306 /nfs/dbraw/zinc/40/73/06/1089407306.db2.gz YUFKRPVXANTHNI-LYBXBRPPSA-N 0 3 324.468 3.064 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2sccc2c1 ZINC001156149509 1089407467 /nfs/dbraw/zinc/40/74/67/1089407467.db2.gz OKXIGENHJWMSGX-CQSZACIVSA-N 0 3 314.454 3.365 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccccc2OCC)CC1 ZINC001161805666 1089411458 /nfs/dbraw/zinc/41/14/58/1089411458.db2.gz NLXTYTGELNOSOM-UHFFFAOYSA-N 0 3 314.429 3.023 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(c3ccccc3)CC2)CC1 ZINC001161824978 1089428146 /nfs/dbraw/zinc/42/81/46/1089428146.db2.gz UTBQPENOQSAWSD-UHFFFAOYSA-N 0 3 310.441 3.043 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001484518447 1089456308 /nfs/dbraw/zinc/45/63/08/1089456308.db2.gz JHBRQGVPRZYVDN-LLVKDONJSA-N 0 3 317.216 3.127 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC001161904469 1089461447 /nfs/dbraw/zinc/46/14/47/1089461447.db2.gz XYKSOSKKFIXIRN-OAHLLOKOSA-N 0 3 316.420 3.254 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2sccc2CC)CC1 ZINC001161932933 1089479503 /nfs/dbraw/zinc/47/95/03/1089479503.db2.gz YCLWXXBVRBHGQT-UHFFFAOYSA-N 0 3 304.459 3.249 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C)c(C)o1 ZINC001484555286 1089484698 /nfs/dbraw/zinc/48/46/98/1089484698.db2.gz JEUBZZOQNJCVQB-UHFFFAOYSA-N 0 3 312.413 3.444 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccccc2C)cc1 ZINC001484556857 1089491326 /nfs/dbraw/zinc/49/13/26/1089491326.db2.gz LBXWACIXRUPMCI-INIZCTEOSA-N 0 3 306.409 3.209 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC001484561053 1089495423 /nfs/dbraw/zinc/49/54/23/1089495423.db2.gz KYQXQGWUDTWWEJ-XPGWFJOJSA-N 0 3 324.468 3.413 20 30 DGEDHN N#Cc1cc(F)cnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC001156532671 1089565646 /nfs/dbraw/zinc/56/56/46/1089565646.db2.gz ZPBZAZYWAGCWEK-QGZVFWFLSA-N 0 3 310.376 3.341 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001484714597 1089605422 /nfs/dbraw/zinc/60/54/22/1089605422.db2.gz DLFNQZKYXLGINB-RFKZRZAASA-N 0 3 310.869 3.478 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001484720727 1089628915 /nfs/dbraw/zinc/62/89/15/1089628915.db2.gz TYMVTMSRGVAYBS-SJORKVTESA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)OC1CCCCC1 ZINC001156672190 1089635734 /nfs/dbraw/zinc/63/57/34/1089635734.db2.gz JCJPSBUEMCJRAB-KRWDZBQOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001484823560 1089704269 /nfs/dbraw/zinc/70/42/69/1089704269.db2.gz UWALCWAFMMMAGT-HNAYVOBHSA-N 0 3 312.457 3.152 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc(C(F)F)c1 ZINC001162410919 1089723228 /nfs/dbraw/zinc/72/32/28/1089723228.db2.gz ZFWQBWUXURLIOF-UHFFFAOYSA-N 0 3 316.779 3.015 20 30 DGEDHN N#Cc1c(Cl)cc(Cl)nc1-n1nc(CN)c2ccccc21 ZINC001156864449 1089724420 /nfs/dbraw/zinc/72/44/20/1089724420.db2.gz JXTPIXLAUQQLHE-UHFFFAOYSA-N 0 3 318.167 3.058 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sc(C(C)C)nc1C ZINC001156890553 1089733435 /nfs/dbraw/zinc/73/34/35/1089733435.db2.gz OREQRMOTOPEFEJ-CYBMUJFWSA-N 0 3 321.490 3.038 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001484940141 1089773777 /nfs/dbraw/zinc/77/37/77/1089773777.db2.gz BERAAROCEVUPNU-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC#CC)CC2(C)C)CCCC1 ZINC001484942292 1089776074 /nfs/dbraw/zinc/77/60/74/1089776074.db2.gz CRWKVCPSXZWLEV-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2cccc(F)c2o1 ZINC001157005098 1089783060 /nfs/dbraw/zinc/78/30/60/1089783060.db2.gz FZHYRKWLNQBPAA-CYBMUJFWSA-N 0 3 316.376 3.035 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001484977547 1089812653 /nfs/dbraw/zinc/81/26/53/1089812653.db2.gz GZFXZKCGYDCHKK-STQMWFEESA-N 0 3 306.372 3.264 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001157158518 1089847956 /nfs/dbraw/zinc/84/79/56/1089847956.db2.gz BVDLOVKTCJGPHJ-HZPDHXFCSA-N 0 3 300.446 3.274 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2occc2s1 ZINC001485069536 1089903097 /nfs/dbraw/zinc/90/30/97/1089903097.db2.gz PJFJBWCBLNDZOR-LBPRGKRZSA-N 0 3 304.415 3.217 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc2ccc(C)nc21 ZINC001485063263 1089915038 /nfs/dbraw/zinc/91/50/38/1089915038.db2.gz MXPYPIUABDBPAL-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CC)CC(F)(F)F ZINC001485078953 1089933688 /nfs/dbraw/zinc/93/36/88/1089933688.db2.gz VEVJLBUQVLNJNU-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN Cc1nc(-n2c3ccccc3nc2[C@@H](C)N)c(C#N)c(C)c1C ZINC001162762161 1089934100 /nfs/dbraw/zinc/93/41/00/1089934100.db2.gz BVAAUCMKZZGAEI-GFCCVEGCSA-N 0 3 305.385 3.237 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C)c(C)s2)C1 ZINC001485108037 1089960137 /nfs/dbraw/zinc/96/01/37/1089960137.db2.gz IBMMCTPMJVSXIQ-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@]1(C)CC=CCC1 ZINC001162822586 1089977961 /nfs/dbraw/zinc/97/79/61/1089977961.db2.gz SXCUZXPXOZHZJD-NRFANRHFSA-N 0 3 324.468 3.027 20 30 DGEDHN C=CCCCC(=O)N(CCNCC#CC)CCc1ccccc1 ZINC001162911660 1090021836 /nfs/dbraw/zinc/02/18/36/1090021836.db2.gz UFDKMPJOERSENV-UHFFFAOYSA-N 0 3 312.457 3.027 20 30 DGEDHN C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001157573089 1090032573 /nfs/dbraw/zinc/03/25/73/1090032573.db2.gz HMXWEDRUDXFFNX-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001157573089 1090032578 /nfs/dbraw/zinc/03/25/78/1090032578.db2.gz HMXWEDRUDXFFNX-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2cccnc2)CCCC1 ZINC001485232710 1090039871 /nfs/dbraw/zinc/03/98/71/1090039871.db2.gz APDODDJTPRLVGV-HZPDHXFCSA-N 0 3 315.461 3.201 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3ccc(CO)cc3)C2)c1 ZINC001203192370 1090048525 /nfs/dbraw/zinc/04/85/25/1090048525.db2.gz GYBRYDZAUUOHBO-FQEVSTJZSA-N 0 3 322.408 3.094 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485300472 1090091701 /nfs/dbraw/zinc/09/17/01/1090091701.db2.gz HZPZVJRXVVXHIR-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C)CCC1 ZINC001089847856 1090120925 /nfs/dbraw/zinc/12/09/25/1090120925.db2.gz YLHCYRRJAYPNOT-JJXSEGSLSA-N 0 3 322.880 3.098 20 30 DGEDHN N#Cc1cc(N[C@H]2CNCc3ccsc32)nc(C(F)(F)F)c1 ZINC001163220623 1090121351 /nfs/dbraw/zinc/12/13/51/1090121351.db2.gz FRFVIMYHXHJXOB-JTQLQIEISA-N 0 3 324.331 3.290 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)ccc2F)cc1 ZINC001272699545 1090144005 /nfs/dbraw/zinc/14/40/05/1090144005.db2.gz BFDPJBJXIAVOLA-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001493963961 1090149233 /nfs/dbraw/zinc/14/92/33/1090149233.db2.gz IMTPQMVIOROLDY-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N1CC(F)(F)C[C@@]1(C)CF ZINC001157951883 1090156499 /nfs/dbraw/zinc/15/64/99/1090156499.db2.gz GNJGUNUFYWMWRX-JSGCOSHPSA-N 0 3 306.372 3.046 20 30 DGEDHN CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)C1CCC1 ZINC001485460354 1090172564 /nfs/dbraw/zinc/17/25/64/1090172564.db2.gz NAKBTYMPMKJPBD-CQSZACIVSA-N 0 3 319.474 3.184 20 30 DGEDHN CCCCC(=O)NCCC1(CNCc2ccccc2C#N)CC1 ZINC001163464712 1090192975 /nfs/dbraw/zinc/19/29/75/1090192975.db2.gz YIQGFAIUBDGOJQ-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001158211390 1090202431 /nfs/dbraw/zinc/20/24/31/1090202431.db2.gz OMPFOZRYFDFJPX-UHFFFAOYSA-N 0 3 320.742 3.225 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001485534800 1090205751 /nfs/dbraw/zinc/20/57/51/1090205751.db2.gz BHZBJWZYZXEPJR-INIZCTEOSA-N 0 3 322.452 3.395 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C(C)(C)C1 ZINC001485583034 1090217594 /nfs/dbraw/zinc/21/75/94/1090217594.db2.gz KEGMQBUBMHAKIV-DKFQHHCZSA-N 0 3 312.457 3.411 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485582361 1090218542 /nfs/dbraw/zinc/21/85/42/1090218542.db2.gz ORXJGRUVEZSSSS-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C#CC(C)(C)C)C[C@@H]2C1 ZINC001485655088 1090228744 /nfs/dbraw/zinc/22/87/44/1090228744.db2.gz UALOOEIZDZSRDF-ARFHVFGLSA-N 0 3 322.880 3.005 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCC[C@@H]2CC)C1 ZINC001485688326 1090241420 /nfs/dbraw/zinc/24/14/20/1090241420.db2.gz FIJJURPXOHWDMP-JKQORVJESA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C(C)(C)C(C)(C)C ZINC001163977893 1090305602 /nfs/dbraw/zinc/30/56/02/1090305602.db2.gz WYHYTPAVGGLGKL-UHFFFAOYSA-N 0 3 319.287 3.063 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001164221686 1090376334 /nfs/dbraw/zinc/37/63/34/1090376334.db2.gz CWYKONNETKZTHI-STQMWFEESA-N 0 3 310.388 3.019 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCNCc1oc(CCC)nc1C ZINC001164323309 1090400754 /nfs/dbraw/zinc/40/07/54/1090400754.db2.gz FRLJYVJPMCUGEG-OAHLLOKOSA-N 0 3 321.465 3.134 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC(C)(C)C2CC2)CC1 ZINC001164437768 1090422500 /nfs/dbraw/zinc/42/25/00/1090422500.db2.gz LANXCLHBJWUHBC-UHFFFAOYSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001164494753 1090432438 /nfs/dbraw/zinc/43/24/38/1090432438.db2.gz QSEMNZQXNZBHPV-KGLIPLIRSA-N 0 3 316.848 3.143 20 30 DGEDHN Cc1ccc2nc(N3CC(C)(N(C)C)C3)c(C#N)c(Cl)c2c1 ZINC001165122127 1090466969 /nfs/dbraw/zinc/46/69/69/1090466969.db2.gz QBRPGANEHMFNCT-UHFFFAOYSA-N 0 3 314.820 3.209 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001107819902 1090509519 /nfs/dbraw/zinc/50/95/19/1090509519.db2.gz WOUDKBOOEQXJRC-VGCLUUISSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107930452 1090541569 /nfs/dbraw/zinc/54/15/69/1090541569.db2.gz IZDWDJVNFHPRBT-BEFAXECRSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001165930124 1090563544 /nfs/dbraw/zinc/56/35/44/1090563544.db2.gz SLUREATZPVTCFT-KRWDZBQOSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(F)ccc2C)CC1 ZINC001166458710 1090606853 /nfs/dbraw/zinc/60/68/53/1090606853.db2.gz HKYBRPGMGZEPJC-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN N#CCCN(c1cc(Cl)nc2c1CCNC2)C1CCCC1 ZINC001166533860 1090615030 /nfs/dbraw/zinc/61/50/30/1090615030.db2.gz JUINDTJRSPDSBS-UHFFFAOYSA-N 0 3 304.825 3.043 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC1(CNCc2nc(C)cs2)CC1 ZINC001166574827 1090622755 /nfs/dbraw/zinc/62/27/55/1090622755.db2.gz XHOXWULGWGHWGK-UHFFFAOYSA-N 0 3 321.490 3.040 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CCCCCC(C)C)C2)CC1 ZINC001272816976 1090636716 /nfs/dbraw/zinc/63/67/16/1090636716.db2.gz IWEGUJFFXQTKLY-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN CN(C)c1cccc(N2CCC(Cc3ccc(C#N)cc3)CC2)n1 ZINC001166766537 1090653435 /nfs/dbraw/zinc/65/34/35/1090653435.db2.gz GLQVBBPRWQSTMU-UHFFFAOYSA-N 0 3 320.440 3.478 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1cccc(Cl)c1 ZINC001272892093 1090669926 /nfs/dbraw/zinc/66/99/26/1090669926.db2.gz BTEWCSNQOOKDPU-IAGOWNOFSA-N 0 3 318.848 3.134 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2ccccc2F)cc1 ZINC001485908673 1090723491 /nfs/dbraw/zinc/72/34/91/1090723491.db2.gz XFDQKNVJBJTORX-HNNXBMFYSA-N 0 3 324.399 3.057 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(Cl)c2occc21 ZINC001485945228 1090737298 /nfs/dbraw/zinc/73/72/98/1090737298.db2.gz MMCPPNDKPFNWHB-LBPRGKRZSA-N 0 3 318.804 3.160 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@@H]12 ZINC001486153864 1090767007 /nfs/dbraw/zinc/76/70/07/1090767007.db2.gz JEJSLBXMHHZLQQ-YVWKXTFCSA-N 0 3 312.457 3.164 20 30 DGEDHN COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c([O-])c1 ZINC001203621263 1090768452 /nfs/dbraw/zinc/76/84/52/1090768452.db2.gz QOQUAMLQEOEFPH-UHFFFAOYSA-N 0 3 322.408 3.458 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC001203822665 1090813123 /nfs/dbraw/zinc/81/31/23/1090813123.db2.gz YCQKZDYYAIEWGO-OALUTQOASA-N 0 3 317.429 3.021 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@H]1OCc2ccccc21)C(C)C ZINC001486379960 1090814832 /nfs/dbraw/zinc/81/48/32/1090814832.db2.gz UZJWGQQPDILABT-GOSISDBHSA-N 0 3 316.445 3.003 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccccc1C)C(C)C ZINC001486379910 1090815640 /nfs/dbraw/zinc/81/56/40/1090815640.db2.gz STEDLSZZKLFBMB-UHFFFAOYSA-N 0 3 302.462 3.282 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(F)cc1)C2 ZINC001203914338 1090837820 /nfs/dbraw/zinc/83/78/20/1090837820.db2.gz RCKJWAZTDZEJEU-OALUTQOASA-N 0 3 319.420 3.399 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCCC(C)C)CC[C@H]1C(F)(F)F ZINC001486452919 1090843244 /nfs/dbraw/zinc/84/32/44/1090843244.db2.gz RJWNXJGRCQAIDO-KGLIPLIRSA-N 0 3 320.399 3.368 20 30 DGEDHN CCC(CC)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001486455043 1090844626 /nfs/dbraw/zinc/84/46/26/1090844626.db2.gz IOSMTKJEBGBZAE-UHFFFAOYSA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC001486475277 1090849374 /nfs/dbraw/zinc/84/93/74/1090849374.db2.gz HGUIOWNEWBRECM-UHFFFAOYSA-N 0 3 322.399 3.400 20 30 DGEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1ccoc1)CC2 ZINC001272983257 1090961597 /nfs/dbraw/zinc/96/15/97/1090961597.db2.gz LUCZHXSSXWNZDN-UHFFFAOYSA-N 0 3 302.418 3.060 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001276472715 1090998647 /nfs/dbraw/zinc/99/86/47/1090998647.db2.gz PZHNBNKFUXHUDG-GOSISDBHSA-N 0 3 311.473 3.435 20 30 DGEDHN C#Cc1ccc(Nc2cccc(CN3CCN(C)CC3)c2)cc1F ZINC001204579359 1091002849 /nfs/dbraw/zinc/00/28/49/1091002849.db2.gz IGQROLWOESUITC-UHFFFAOYSA-N 0 3 323.415 3.298 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213260761 1091028947 /nfs/dbraw/zinc/02/89/47/1091028947.db2.gz RJLJEJGBJZWHRR-CZDHMLMNSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001098852107 1091030171 /nfs/dbraw/zinc/03/01/71/1091030171.db2.gz BSHYWTZNHNMYCY-AOIWGVFYSA-N 0 3 302.462 3.280 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108149348 1091153627 /nfs/dbraw/zinc/15/36/27/1091153627.db2.gz UWAFHOWBRABGQV-APWZRJJASA-N 0 3 324.509 3.232 20 30 DGEDHN CC#CCNC1(CNC(=O)CC/C=C/c2ccccc2)CCC1 ZINC001273153933 1091249123 /nfs/dbraw/zinc/24/91/23/1091249123.db2.gz IMQAZOWAZJOSLC-KPKJPENVSA-N 0 3 310.441 3.132 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC001138628826 1091260732 /nfs/dbraw/zinc/26/07/32/1091260732.db2.gz GNKMJNKCOSHYSO-INIZCTEOSA-N 0 3 317.429 3.284 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC001138628826 1091260738 /nfs/dbraw/zinc/26/07/38/1091260738.db2.gz GNKMJNKCOSHYSO-INIZCTEOSA-N 0 3 317.429 3.284 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCc3ncnc(CC)c3CC2)c1[O-] ZINC001138628618 1091261739 /nfs/dbraw/zinc/26/17/39/1091261739.db2.gz YJSLLZLMANXHLH-UHFFFAOYSA-N 0 3 323.440 3.074 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCc3ncnc(CC)c3CC2)c1[O-] ZINC001138628618 1091261749 /nfs/dbraw/zinc/26/17/49/1091261749.db2.gz YJSLLZLMANXHLH-UHFFFAOYSA-N 0 3 323.440 3.074 20 30 DGEDHN C=CCc1cccc(CN2CCCC[C@@H]2C(=O)NCCC)c1O ZINC001138629332 1091262877 /nfs/dbraw/zinc/26/28/77/1091262877.db2.gz UYBYZHIZNLCTQG-QGZVFWFLSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCC)c1[O-] ZINC001138629332 1091262885 /nfs/dbraw/zinc/26/28/85/1091262885.db2.gz UYBYZHIZNLCTQG-QGZVFWFLSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCC)c1[O-] ZINC001138629332 1091262893 /nfs/dbraw/zinc/26/28/93/1091262893.db2.gz UYBYZHIZNLCTQG-QGZVFWFLSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C(=O)OCCCC)C2)c1[O-] ZINC001138631481 1091263797 /nfs/dbraw/zinc/26/37/97/1091263797.db2.gz UCWFRSZFAFOXIM-QGZVFWFLSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)OCCCC)C2)c1[O-] ZINC001138631481 1091263800 /nfs/dbraw/zinc/26/38/00/1091263800.db2.gz UCWFRSZFAFOXIM-QGZVFWFLSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@](C)(C(=O)OCC)C2)c1[O-] ZINC001138629732 1091264029 /nfs/dbraw/zinc/26/40/29/1091264029.db2.gz HHWCOIUZBAMOKM-LJQANCHMSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(C(=O)OCC)C2)c1[O-] ZINC001138629732 1091264037 /nfs/dbraw/zinc/26/40/37/1091264037.db2.gz HHWCOIUZBAMOKM-LJQANCHMSA-N 0 3 317.429 3.286 20 30 DGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCc2ccc(C#N)cc2)C1 ZINC001205603931 1091275582 /nfs/dbraw/zinc/27/55/82/1091275582.db2.gz HKBYOVROMCDCSS-MAUKXSAKSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](C(=O)OC)C1 ZINC001138662886 1091279061 /nfs/dbraw/zinc/27/90/61/1091279061.db2.gz GKRPOUYXWYIBAD-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](C(=O)OCC)C1 ZINC001138664963 1091281892 /nfs/dbraw/zinc/28/18/92/1091281892.db2.gz CHYKQOMRSNMROW-QGZVFWFLSA-N 0 3 317.429 3.417 20 30 DGEDHN Fc1cc(OCCNCC#Cc2ccccc2)ccc1Cl ZINC001205802021 1091356426 /nfs/dbraw/zinc/35/64/26/1091356426.db2.gz DEMWWTDQSSVRBZ-UHFFFAOYSA-N 0 3 303.764 3.499 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108188146 1091368416 /nfs/dbraw/zinc/36/84/16/1091368416.db2.gz QRJJPIGLAQWHAC-RTBURBONSA-N 0 3 324.509 3.232 20 30 DGEDHN Cc1cnccc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001205862854 1091383918 /nfs/dbraw/zinc/38/39/18/1091383918.db2.gz PKTONHFTDYWJED-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCOc1ccccc1CN1CCCC[C@H](C(=O)OCC)C1 ZINC001139030635 1091425167 /nfs/dbraw/zinc/42/51/67/1091425167.db2.gz RGNXDCYRMOKRHO-KRWDZBQOSA-N 0 3 317.429 3.417 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001098896895 1091434771 /nfs/dbraw/zinc/43/47/71/1091434771.db2.gz NNGVYKIDCFTIBC-BJLQDIEVSA-N 0 3 314.473 3.117 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001084189212 1091458882 /nfs/dbraw/zinc/45/88/82/1091458882.db2.gz IDSRDDDRIDXLEV-CHWSQXEVSA-N 0 3 308.809 3.046 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1 ZINC001206069308 1091478662 /nfs/dbraw/zinc/47/86/62/1091478662.db2.gz DZGFXWZMNJAIOC-UHFFFAOYSA-N 0 3 314.360 3.052 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccccc3C(C)(C)C)[C@@H]2C1 ZINC001084436709 1091491282 /nfs/dbraw/zinc/49/12/82/1091491282.db2.gz PUULBZGXNAXHFT-VQIMIIECSA-N 0 3 324.468 3.154 20 30 DGEDHN C=CCCCC(=O)N1CCC(CNCc2nc(C)cs2)CC1 ZINC001206105197 1091494073 /nfs/dbraw/zinc/49/40/73/1091494073.db2.gz IRBPNONPRPFLCB-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(CC)s3)[C@@H]2C1 ZINC001084495244 1091494906 /nfs/dbraw/zinc/49/49/06/1091494906.db2.gz MVTUSTHDPSVWCY-UKRRQHHQSA-N 0 3 304.459 3.033 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)s3)[C@@H]2C1 ZINC001084708095 1091543313 /nfs/dbraw/zinc/54/33/13/1091543313.db2.gz OQSCLZQRYHOWOP-TZMCWYRMSA-N 0 3 324.877 3.053 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084699962 1091543508 /nfs/dbraw/zinc/54/35/08/1091543508.db2.gz KWALOTJRGHAYSY-QWFCFKBJSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1=O ZINC001273231579 1091559768 /nfs/dbraw/zinc/55/97/68/1091559768.db2.gz QRKGTSAMEXDZEQ-QGZVFWFLSA-N 0 3 322.811 3.090 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)s3)[C@@H]2C1 ZINC001084774061 1091560071 /nfs/dbraw/zinc/56/00/71/1091560071.db2.gz SFEVCZLDUOLOSY-HUUCEWRRSA-N 0 3 316.470 3.348 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001084791575 1091571142 /nfs/dbraw/zinc/57/11/42/1091571142.db2.gz JPKYGNWSGORMJO-IEBWSBKVSA-N 0 3 324.468 3.154 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c(C)cc(C)cc3C)[C@@H]2C1 ZINC001084815751 1091580182 /nfs/dbraw/zinc/58/01/82/1091580182.db2.gz WALIOELRBZLQKQ-QZTJIDSGSA-N 0 3 312.457 3.334 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)[C@@H]2C1 ZINC001084859259 1091594738 /nfs/dbraw/zinc/59/47/38/1091594738.db2.gz MNYIGVSZYSDENI-IAGOWNOFSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC(c4ccccc4)C3)[C@@H]2C1 ZINC001084863922 1091599438 /nfs/dbraw/zinc/59/94/38/1091599438.db2.gz XHOPYLGVYKBGFD-YNIZLOQISA-N 0 3 324.468 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3ccc(C)s3)[C@@H]2C1 ZINC001084871269 1091602148 /nfs/dbraw/zinc/60/21/48/1091602148.db2.gz ATPVTCXSZFUPJA-NVXWUHKLSA-N 0 3 318.486 3.098 20 30 DGEDHN N#Cc1c(Br)cccc1OC1CCN(C2CC2)CC1 ZINC001230323617 1091605511 /nfs/dbraw/zinc/60/55/11/1091605511.db2.gz SUCOPQCCWHNVMQ-UHFFFAOYSA-N 0 3 321.218 3.326 20 30 DGEDHN Cc1nc([C@@H]2CCCN(Cc3c[nH]c4c3cccc4C#N)C2)no1 ZINC001139701344 1091646173 /nfs/dbraw/zinc/64/61/73/1091646173.db2.gz FAVJGHQHXZJBCN-CQSZACIVSA-N 0 3 321.384 3.111 20 30 DGEDHN N#Cc1cccc2c(CN3CCC4(CCOCC4)CC3)c[nH]c21 ZINC001139706199 1091648644 /nfs/dbraw/zinc/64/86/44/1091648644.db2.gz OFSMUYSEDMHYQF-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3cccc(C)c3)C[C@@H]21 ZINC001085045190 1091649417 /nfs/dbraw/zinc/64/94/17/1091649417.db2.gz ZLYPPVHWFLELER-GGPKGHCWSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)C[C@@H]21 ZINC001085054153 1091652606 /nfs/dbraw/zinc/65/26/06/1091652606.db2.gz MUFHKKAXKGJUIT-MDNKFWRPSA-N 0 3 324.468 3.207 20 30 DGEDHN Cn1cc(CNCc2ccc(CC#N)cc2)c(-c2ccccc2)n1 ZINC001202963984 1091653241 /nfs/dbraw/zinc/65/32/41/1091653241.db2.gz IDZAAAKKHNNVHY-UHFFFAOYSA-N 0 3 316.408 3.443 20 30 DGEDHN Cc1ccc(CN2CCCN(c3ncccc3C)CC2)cc1C#N ZINC001139723588 1091654479 /nfs/dbraw/zinc/65/44/79/1091654479.db2.gz BIQDKSNFBFYRFR-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)C(C)C)C12CCC2 ZINC001202967643 1091667203 /nfs/dbraw/zinc/66/72/03/1091667203.db2.gz DNCGXOZVVUPKEI-UONOGXRCSA-N 0 3 312.885 3.438 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3C)C[C@@H]21 ZINC001085099047 1091670156 /nfs/dbraw/zinc/67/01/56/1091670156.db2.gz ATGUNWFNTYOGEI-GGPKGHCWSA-N 0 3 324.468 3.045 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)s1 ZINC001085120322 1091681345 /nfs/dbraw/zinc/68/13/45/1091681345.db2.gz FONMNTKRJQQAOD-CHWSQXEVSA-N 0 3 312.866 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1oc(C)cc1C ZINC001085159959 1091690162 /nfs/dbraw/zinc/69/01/62/1091690162.db2.gz NCVLRSRTSZWITD-ZIAGYGMSSA-N 0 3 310.825 3.280 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(s1)CCCC2 ZINC001139865591 1091695826 /nfs/dbraw/zinc/69/58/26/1091695826.db2.gz MGFFLNCSPRFBHY-UHFFFAOYSA-N 0 3 306.475 3.207 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1ccccc1OC ZINC001139869299 1091695974 /nfs/dbraw/zinc/69/59/74/1091695974.db2.gz DTEXCOYKLHZQOD-INIZCTEOSA-N 0 3 318.461 3.155 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CSC ZINC001098971404 1091698728 /nfs/dbraw/zinc/69/87/28/1091698728.db2.gz NWPXJRSFVXRPFQ-HUUCEWRRSA-N 0 3 312.523 3.168 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202986497 1091721204 /nfs/dbraw/zinc/72/12/04/1091721204.db2.gz IYKCNWZTFDREAE-HUUCEWRRSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc(CC)c1 ZINC001085275087 1091730721 /nfs/dbraw/zinc/73/07/21/1091730721.db2.gz NXNQBVSLJSOELM-HZPDHXFCSA-N 0 3 321.852 3.027 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001085284300 1091733769 /nfs/dbraw/zinc/73/37/69/1091733769.db2.gz SGZYHWOPGOTBJG-JRBZFYFNSA-N 0 3 310.869 3.192 20 30 DGEDHN COc1c(Cl)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001140059270 1091754060 /nfs/dbraw/zinc/75/40/60/1091754060.db2.gz BYKYVBZKZBRZBT-CYBMUJFWSA-N 0 3 309.818 3.123 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n(C)c1C ZINC001085417790 1091771705 /nfs/dbraw/zinc/77/17/05/1091771705.db2.gz QRFUQXCDGIRDIB-HZPDHXFCSA-N 0 3 323.868 3.025 20 30 DGEDHN Cc1ccnn1C1CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140117549 1091774539 /nfs/dbraw/zinc/77/45/39/1091774539.db2.gz TZEMIAZRJKZMCP-UHFFFAOYSA-N 0 3 319.412 3.382 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C ZINC001206912642 1091793942 /nfs/dbraw/zinc/79/39/42/1091793942.db2.gz VSSUFHBIEIWZPB-CRAIPNDOSA-N 0 3 324.424 3.173 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001207056008 1091832757 /nfs/dbraw/zinc/83/27/57/1091832757.db2.gz QSEFWURYXXFXDW-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nccc2ccsc21 ZINC001085651449 1091868719 /nfs/dbraw/zinc/86/87/19/1091868719.db2.gz UOCOXMDESCNCMU-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c2ccccc2n1 ZINC001085680055 1091879347 /nfs/dbraw/zinc/87/93/47/1091879347.db2.gz XYCVHTXRKOHSMW-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(CCN1CCC(SC)CC1)C(=O)OC(C)(C)C ZINC001207206565 1091887887 /nfs/dbraw/zinc/88/78/87/1091887887.db2.gz VTZXJOHELQARPN-UHFFFAOYSA-N 0 3 314.495 3.237 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1OC ZINC001085705640 1091892558 /nfs/dbraw/zinc/89/25/58/1091892558.db2.gz VLCPPAMFEVRJMO-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1CCC1CCCCC1 ZINC001207262051 1091901633 /nfs/dbraw/zinc/90/16/33/1091901633.db2.gz JCVVSOVYPPRYDD-SFHVURJKSA-N 0 3 317.477 3.492 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001085733504 1091902479 /nfs/dbraw/zinc/90/24/79/1091902479.db2.gz HANBLBQHDPMYBK-WSTZPKSXSA-N 0 3 312.457 3.073 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC ZINC001085789582 1091938070 /nfs/dbraw/zinc/93/80/70/1091938070.db2.gz LWLVOBJABUVTIN-KRWDZBQOSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001085797846 1091940185 /nfs/dbraw/zinc/94/01/85/1091940185.db2.gz BUQAPXBGQYKBKR-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1csc(C(C)C)n1 ZINC001085875742 1091993487 /nfs/dbraw/zinc/99/34/87/1091993487.db2.gz IMHLRINMUKQMOF-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(F)cc1C)C2 ZINC001140779810 1091995180 /nfs/dbraw/zinc/99/51/80/1091995180.db2.gz BMAPPMYMPSBPEG-OALUTQOASA-N 0 3 319.420 3.460 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085901443 1092002462 /nfs/dbraw/zinc/00/24/62/1092002462.db2.gz FRBXQJVXXNFWNU-HNNXBMFYSA-N 0 3 304.434 3.434 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085926021 1092014484 /nfs/dbraw/zinc/01/44/84/1092014484.db2.gz MGQMQVLBAWPQLB-HNNXBMFYSA-N 0 3 304.434 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085940045 1092027887 /nfs/dbraw/zinc/02/78/87/1092027887.db2.gz XNSYIWLWKJKWAN-MRXNPFEDSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC001085959766 1092056759 /nfs/dbraw/zinc/05/67/59/1092056759.db2.gz LANNYHHZALBWOY-KRWDZBQOSA-N 0 3 316.445 3.196 20 30 DGEDHN CN(C)c1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001140922561 1092064323 /nfs/dbraw/zinc/06/43/23/1092064323.db2.gz UNQBOYJJXKJSSQ-OAHLLOKOSA-N 0 3 322.861 3.180 20 30 DGEDHN CC(C)(C)/C=C/C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207710184 1092076282 /nfs/dbraw/zinc/07/62/82/1092076282.db2.gz HLOGKLYEDHJKBB-KQDNUWKFSA-N 0 3 324.468 3.221 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207719129 1092081295 /nfs/dbraw/zinc/08/12/95/1092081295.db2.gz ZFJQAXQQIZIFED-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3csc(Cl)c3)C2)C1=O ZINC001273383522 1092088904 /nfs/dbraw/zinc/08/89/04/1092088904.db2.gz HMZADYJBYGJKAO-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN CCC(=CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1)CC ZINC001207785432 1092099184 /nfs/dbraw/zinc/09/91/84/1092099184.db2.gz AWOKSGKRPWDJET-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCCCC(=O)N1CC[C@]2(C1)CN(CC(CC)CC)CCO2 ZINC001276549056 1092117384 /nfs/dbraw/zinc/11/73/84/1092117384.db2.gz PWYKOEVPIPRTEH-LJQANCHMSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2csc(C)c2C)C1 ZINC001086096248 1092132397 /nfs/dbraw/zinc/13/23/97/1092132397.db2.gz UCZHLIJCGHMISU-BETUJISGSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001086130662 1092138247 /nfs/dbraw/zinc/13/82/47/1092138247.db2.gz UWPVZQHXJNGSTI-CAOSSQGBSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108246598 1092147677 /nfs/dbraw/zinc/14/76/77/1092147677.db2.gz QVLXLWTWOKCOOQ-IBGZPJMESA-N 0 3 324.509 3.232 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141160976 1092157145 /nfs/dbraw/zinc/15/71/45/1092157145.db2.gz LLASQOSCHADIHY-QGZVFWFLSA-N 0 3 324.380 3.013 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001086206989 1092163275 /nfs/dbraw/zinc/16/32/75/1092163275.db2.gz UIBSMAVAJZCAEO-BETUJISGSA-N 0 3 317.820 3.018 20 30 DGEDHN CC/C(C)=C/C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001208002345 1092173516 /nfs/dbraw/zinc/17/35/16/1092173516.db2.gz RZYKSNYKZRWUQK-SSUFTNFISA-N 0 3 317.458 3.057 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC001086240147 1092176254 /nfs/dbraw/zinc/17/62/54/1092176254.db2.gz QURAVSLPEXJPPI-UKMLZYKCSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001208036447 1092181704 /nfs/dbraw/zinc/18/17/04/1092181704.db2.gz LABZFCOPUUFKOE-KZNAEPCWSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001086264190 1092183902 /nfs/dbraw/zinc/18/39/02/1092183902.db2.gz YMIZCGMVKUOWAM-AOOOYVTPSA-N 0 3 318.751 3.068 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001086266571 1092184913 /nfs/dbraw/zinc/18/49/13/1092184913.db2.gz KMKOFYDJTJPUDD-FZNQNYSPSA-N 0 3 306.837 3.154 20 30 DGEDHN N#Cc1ccc(Oc2ccc(CN3CCN4CC[C@@H]4C3)cc2)cc1 ZINC001141298143 1092200691 /nfs/dbraw/zinc/20/06/91/1092200691.db2.gz LKPAAAKTSFGFFK-GOSISDBHSA-N 0 3 319.408 3.240 20 30 DGEDHN CCCCCCC/C=C/CN1CC[C@H]2O[C@H](C(=O)N(C)C)C[C@H]21 ZINC001208120190 1092205803 /nfs/dbraw/zinc/20/58/03/1092205803.db2.gz NFCROBYUALFSRK-RAIGCOBESA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NC[C@H](F)CC)C1 ZINC001208202561 1092264540 /nfs/dbraw/zinc/26/45/40/1092264540.db2.gz HVRIRQFCLMINLA-OLZOCXBDSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001086419174 1092242523 /nfs/dbraw/zinc/24/25/23/1092242523.db2.gz FHOVRZMPYAXNRC-HDJSIYSDSA-N 0 3 321.852 3.056 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001273437201 1092294700 /nfs/dbraw/zinc/29/47/00/1092294700.db2.gz KFGYKJJDYWXDIN-FUHWJXTLSA-N 0 3 315.461 3.155 20 30 DGEDHN O=C1C=C2CN(Cc3cc4cccnc4cc3F)CCC2S1 ZINC001141624879 1092298149 /nfs/dbraw/zinc/29/81/49/1092298149.db2.gz JVSBOPSRLPPOCA-MRXNPFEDSA-N 0 3 314.385 3.148 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001086521646 1092317091 /nfs/dbraw/zinc/31/70/91/1092317091.db2.gz YEZBNDAXWQSGQJ-ANQUJSFKSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)cc2Cl)C1 ZINC001491952197 1092320872 /nfs/dbraw/zinc/32/08/72/1092320872.db2.gz PLKWTALOFFTHRZ-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CC(CC)CC)C1 ZINC001108305823 1092327391 /nfs/dbraw/zinc/32/73/91/1092327391.db2.gz AOBRUSIIHNFJRX-VQIMIIECSA-N 0 3 324.509 3.375 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001208371304 1092330951 /nfs/dbraw/zinc/33/09/51/1092330951.db2.gz NYTNJRPXQPOYSD-IEBWSBKVSA-N 0 3 312.457 3.125 20 30 DGEDHN C[C@]1(CO)CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141973091 1092372848 /nfs/dbraw/zinc/37/28/48/1092372848.db2.gz YHOGMPBBGALWCR-IBGZPJMESA-N 0 3 311.450 3.352 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1nccc2ccccc21 ZINC001492075693 1092373662 /nfs/dbraw/zinc/37/36/62/1092373662.db2.gz UOOLPVYWVNLNHG-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(F)c2occc21 ZINC001492126962 1092393709 /nfs/dbraw/zinc/39/37/09/1092393709.db2.gz JCPLTTNGROMIKO-LLVKDONJSA-N 0 3 324.783 3.422 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2cccc(F)c2F)C1 ZINC001492081396 1092397005 /nfs/dbraw/zinc/39/70/05/1092397005.db2.gz UWYCJHNMKKSYFB-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 ZINC001168925428 1092426662 /nfs/dbraw/zinc/42/66/62/1092426662.db2.gz OVWWNIWYMCPKCA-FRQCXROJSA-N 0 3 315.461 3.397 20 30 DGEDHN C=CCOCc1ncn2c1CN(CCC1CCCC1)CCC2 ZINC001208693686 1092459379 /nfs/dbraw/zinc/45/93/79/1092459379.db2.gz QOUTXUGSLJPLRC-UHFFFAOYSA-N 0 3 303.450 3.372 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2ccc(CC)cc2)cc1 ZINC001492366061 1092483193 /nfs/dbraw/zinc/48/31/93/1092483193.db2.gz OUGWECITYXMIPK-UHFFFAOYSA-N 0 3 320.436 3.092 20 30 DGEDHN CN1CCN(CCCc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001208856182 1092547380 /nfs/dbraw/zinc/54/73/80/1092547380.db2.gz CAFMUMSIDTUWAO-NRFANRHFSA-N 0 3 319.452 3.480 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@@H](C)C(F)(F)F)C2 ZINC001208893764 1092571492 /nfs/dbraw/zinc/57/14/92/1092571492.db2.gz YGQULWQCERWDKJ-HZSPNIEDSA-N 0 3 307.356 3.011 20 30 DGEDHN N#Cc1ccc2c(CN3CCc4cc(CO)ccc4C3)c[nH]c2c1 ZINC001142911865 1092584141 /nfs/dbraw/zinc/58/41/41/1092584141.db2.gz MHBZOXLGLCMNDE-UHFFFAOYSA-N 0 3 317.392 3.090 20 30 DGEDHN CN(Cc1c[nH]c2cc(C#N)ccc12)Cc1ccc2c(c1)OCO2 ZINC001142922649 1092585967 /nfs/dbraw/zinc/58/59/67/1092585967.db2.gz PFFHOXRMXKERIT-UHFFFAOYSA-N 0 3 319.364 3.400 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001208932147 1092598116 /nfs/dbraw/zinc/59/81/16/1092598116.db2.gz BPWULLQQALVXPU-IAGOWNOFSA-N 0 3 324.509 3.088 20 30 DGEDHN C[C@@H](N)c1ccn(-c2c(C#N)c(Cl)nc3cccc(F)c32)n1 ZINC001169231794 1092604313 /nfs/dbraw/zinc/60/43/13/1092604313.db2.gz SPLPSADEYPEOLJ-MRVPVSSYSA-N 0 3 315.739 3.104 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001169248511 1092616459 /nfs/dbraw/zinc/61/64/59/1092616459.db2.gz VBRKMNXQHNFUDU-CVEARBPZSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCN(CCN1CCC2(CCC(C)(C)O2)CC1)C(=O)OCC ZINC001209020551 1092626214 /nfs/dbraw/zinc/62/62/14/1092626214.db2.gz JKHKCAYJYFVUKA-UHFFFAOYSA-N 0 3 324.465 3.055 20 30 DGEDHN CCCCCN1CCN(Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143170419 1092627283 /nfs/dbraw/zinc/62/72/83/1092627283.db2.gz FYEQQCFFLWHEIV-UHFFFAOYSA-N 0 3 307.388 3.144 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCN(CC3CCCC3)CC2)c1F ZINC001143173401 1092627352 /nfs/dbraw/zinc/62/73/52/1092627352.db2.gz ZUGRXHDNEYNDGQ-UHFFFAOYSA-N 0 3 319.399 3.144 20 30 DGEDHN C=CCN(CCN(C)CCc1cccc(Cl)c1)C(=O)OCC ZINC001209021913 1092628364 /nfs/dbraw/zinc/62/83/64/1092628364.db2.gz GFTUXJIZTIXLRT-UHFFFAOYSA-N 0 3 324.852 3.459 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209052083 1092635878 /nfs/dbraw/zinc/63/58/78/1092635878.db2.gz LYHVYYMMWMPEFK-ITICKHJUSA-N 0 3 322.452 3.141 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001209107203 1092655267 /nfs/dbraw/zinc/65/52/67/1092655267.db2.gz RSIXBUCRJHMVSI-KBAYOESNSA-N 0 3 306.494 3.461 20 30 DGEDHN CCC(CC)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001169371030 1092656891 /nfs/dbraw/zinc/65/68/91/1092656891.db2.gz QQWYRLNTAVWFKA-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001209124717 1092664037 /nfs/dbraw/zinc/66/40/37/1092664037.db2.gz CIWJCQRMLQLUNT-NZSAHSFTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCCN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001209203584 1092693285 /nfs/dbraw/zinc/69/32/85/1092693285.db2.gz PNLKEDOSCCCJHM-UHFFFAOYSA-N 0 3 302.466 3.041 20 30 DGEDHN C=CCCCCN1CCN(c2ccc(Br)cn2)CC1 ZINC001209201869 1092694020 /nfs/dbraw/zinc/69/40/20/1092694020.db2.gz WXAGVATWUGRFRR-UHFFFAOYSA-N 0 3 324.266 3.322 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001209253522 1092715070 /nfs/dbraw/zinc/71/50/70/1092715070.db2.gz IFCNHSZZAWSTAZ-NZSAHSFTSA-N 0 3 314.473 3.439 20 30 DGEDHN C=CCCCCCN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001209424720 1092769752 /nfs/dbraw/zinc/76/97/52/1092769752.db2.gz STRYHUDXLNJKSR-UHFFFAOYSA-N 0 3 317.477 3.451 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001150364718 1092773371 /nfs/dbraw/zinc/77/33/71/1092773371.db2.gz UAVPXADZKVICRE-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCCCCCN1CCN(CCOC)c2ncccc2C1 ZINC001209437741 1092774751 /nfs/dbraw/zinc/77/47/51/1092774751.db2.gz SNBNZRNYAOTFPW-UHFFFAOYSA-N 0 3 317.477 3.487 20 30 DGEDHN C=CCCCCCCN1CCCn2nc(C(=O)OCC)cc2C1 ZINC001209436651 1092775602 /nfs/dbraw/zinc/77/56/02/1092775602.db2.gz XSEQOQHSGXPHSC-UHFFFAOYSA-N 0 3 319.449 3.402 20 30 DGEDHN C=CCCCCCCCN1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001209441063 1092775641 /nfs/dbraw/zinc/77/56/41/1092775641.db2.gz GUGDAXRFPWFMKZ-QGZVFWFLSA-N 0 3 305.466 3.492 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1CCCC1 ZINC001151516168 1092913672 /nfs/dbraw/zinc/91/36/72/1092913672.db2.gz AJEGXUBGSKLOKB-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001210058091 1093030110 /nfs/dbraw/zinc/03/01/10/1093030110.db2.gz RSNGWQWRZHTDCS-IEBWSBKVSA-N 0 3 314.473 3.249 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001210251084 1093095536 /nfs/dbraw/zinc/09/55/36/1093095536.db2.gz KRMHIIZXYNBFBE-JFIYKMOQSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001210337538 1093129364 /nfs/dbraw/zinc/12/93/64/1093129364.db2.gz QURHPOVIIJFWPC-DJIMGWMZSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCCCCCCC)C1 ZINC001210547446 1093204411 /nfs/dbraw/zinc/20/44/11/1093204411.db2.gz NXADGEHHMBDMEN-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1C)c1ccccc1 ZINC001211200376 1093414889 /nfs/dbraw/zinc/41/48/89/1093414889.db2.gz WGCODBNIBMIUFQ-BHIYHBOVSA-N 0 3 312.457 3.359 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001211399483 1093482321 /nfs/dbraw/zinc/48/23/21/1093482321.db2.gz QJTLAMUSKKFMQO-ZHALLVOQSA-N 0 3 314.473 3.186 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cc(F)ccc2OC)no1 ZINC001211436561 1093494025 /nfs/dbraw/zinc/49/40/25/1093494025.db2.gz QBGBKHQQECVWEJ-UHFFFAOYSA-N 0 3 317.364 3.383 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(F)cc2OC)no1 ZINC001211436253 1093494598 /nfs/dbraw/zinc/49/45/98/1093494598.db2.gz HCBCNFRJHPBJLA-UHFFFAOYSA-N 0 3 317.364 3.383 20 30 DGEDHN C#CC[C@H](CC(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1C)c1ccccc1 ZINC001211473398 1093503270 /nfs/dbraw/zinc/50/32/70/1093503270.db2.gz KLEIATOMJADLJP-MISYRCLQSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)CC(=C)C)[C@H](OC)C1 ZINC001213320265 1093566006 /nfs/dbraw/zinc/56/60/06/1093566006.db2.gz QJTMZHGAYVHFCL-KZNAEPCWSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)[C@H](OC)C1 ZINC001213953708 1093685686 /nfs/dbraw/zinc/68/56/86/1093685686.db2.gz NHSJGWBJZRKNSP-RCCFBDPRSA-N 0 3 324.509 3.230 20 30 DGEDHN C[C@@H](NCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400696595 1093909775 /nfs/dbraw/zinc/90/97/75/1093909775.db2.gz JHAIAIQFVOBOGK-CYBMUJFWSA-N 0 3 309.454 3.161 20 30 DGEDHN C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001215257364 1093947167 /nfs/dbraw/zinc/94/71/67/1093947167.db2.gz XNANTHAFPBLJOR-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215376612 1093971578 /nfs/dbraw/zinc/97/15/78/1093971578.db2.gz PHTKFIHTSFROGT-FRRDWIJNSA-N 0 3 319.276 3.344 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215379112 1093972274 /nfs/dbraw/zinc/97/22/74/1093972274.db2.gz IRBPHHIASBXKEG-YNEHKIRRSA-N 0 3 319.276 3.344 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001215427997 1093981638 /nfs/dbraw/zinc/98/16/38/1093981638.db2.gz TZEQIMMGIHBDED-RHSMWYFYSA-N 0 3 304.409 3.119 20 30 DGEDHN Cn1cnc(Nc2cccc(CN3CCCCC3)c2F)c1C#N ZINC001215675846 1094030191 /nfs/dbraw/zinc/03/01/91/1094030191.db2.gz UFTLBCAXPRHQSA-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN Cn1cc(Nc2ccc(CN3CCCCC3)c(F)c2)c(C#N)n1 ZINC001215711245 1094037058 /nfs/dbraw/zinc/03/70/58/1094037058.db2.gz JKBZUEKURIUBME-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN CN(C)Cc1ccc(-c2nc(-c3cc(C#N)ccc3F)no2)cc1 ZINC001216084395 1094119199 /nfs/dbraw/zinc/11/91/99/1094119199.db2.gz PKFIDLZFKOFHPW-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN CN(C)Cc1ccc(-c2nc(-c3cccc(C#N)c3)no2)cc1 ZINC001216084325 1094119212 /nfs/dbraw/zinc/11/92/12/1094119212.db2.gz NKJQQBXCJYRQAY-UHFFFAOYSA-N 0 3 304.353 3.337 20 30 DGEDHN CCCCC[C@H](C)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001134824720 1094304145 /nfs/dbraw/zinc/30/41/45/1094304145.db2.gz UCOWWBMHDKLEKM-AWEZNQCLSA-N 0 3 321.490 3.432 20 30 DGEDHN Cc1cc(C#N)nc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC001120032480 1094356261 /nfs/dbraw/zinc/35/62/61/1094356261.db2.gz INDJIJJEOLGEPL-HNNXBMFYSA-N 0 3 321.428 3.294 20 30 DGEDHN C[C@H]([C@H](C)C(=O)NCCNCc1cccc(C#N)c1)C(C)(C)C ZINC001135177788 1094429487 /nfs/dbraw/zinc/42/94/87/1094429487.db2.gz LPECYUUFJUWEBH-LSDHHAIUSA-N 0 3 315.461 3.082 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C/c1ccco1)C2 ZINC001120521962 1094446760 /nfs/dbraw/zinc/44/67/60/1094446760.db2.gz BBBMAQWNOWPHQZ-SNAWJCMRSA-N 0 3 320.820 3.062 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC001135235804 1094454458 /nfs/dbraw/zinc/45/44/58/1094454458.db2.gz NBFBLBNHOSGIJZ-QWHCGFSZSA-N 0 3 319.449 3.137 20 30 DGEDHN C=C(C)CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001120612762 1094469818 /nfs/dbraw/zinc/46/98/18/1094469818.db2.gz VDFZIBSQMARCHZ-KRWDZBQOSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001135357698 1094500958 /nfs/dbraw/zinc/50/09/58/1094500958.db2.gz GYUUENGBQVNYKW-CHWSQXEVSA-N 0 3 323.506 3.489 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC001135358017 1094501679 /nfs/dbraw/zinc/50/16/79/1094501679.db2.gz LEAZSGPEOITHDS-ZIAGYGMSSA-N 0 3 319.449 3.281 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OC(Cl)(Cl)c1c(F)cccc1Cl ZINC001217831133 1094502221 /nfs/dbraw/zinc/50/22/21/1094502221.db2.gz JLSBMBWLUFFKSO-GMSGAONNSA-N 0 3 323.582 3.195 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@H](C)NCc2conc2C)CCC1 ZINC001135394283 1094514359 /nfs/dbraw/zinc/51/43/59/1094514359.db2.gz FIBCMOUWKFTDHN-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NCc2nccs2)CC1 ZINC001135416094 1094528381 /nfs/dbraw/zinc/52/83/81/1094528381.db2.gz QBEVMDJSBSXBOE-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN CC(C)CCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001135500881 1094556443 /nfs/dbraw/zinc/55/64/43/1094556443.db2.gz BETSQDWMUFWSKG-UHFFFAOYSA-N 0 3 307.463 3.042 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCCC2CC2)C1 ZINC001103349484 1094592260 /nfs/dbraw/zinc/59/22/60/1094592260.db2.gz DOETZMPVAJFONA-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103474555 1094640270 /nfs/dbraw/zinc/64/02/70/1094640270.db2.gz DDBWWRKHSITXLK-UKRRQHHQSA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(C)C)C1 ZINC001103489666 1094649339 /nfs/dbraw/zinc/64/93/39/1094649339.db2.gz OLFQTRAGJOPUJA-VHDGCEQUSA-N 0 3 300.874 3.105 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001086764941 1094669832 /nfs/dbraw/zinc/66/98/32/1094669832.db2.gz OVKTUDAZEXIBOY-SMLCLMEVSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001086784513 1094683428 /nfs/dbraw/zinc/68/34/28/1094683428.db2.gz YGGGYIYWKBQVSD-LSDHHAIUSA-N 0 3 323.868 3.057 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001086794857 1094688416 /nfs/dbraw/zinc/68/84/16/1094688416.db2.gz NZOGADSFYRJBAB-RRFJBIMHSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001336731625 1094713774 /nfs/dbraw/zinc/71/37/74/1094713774.db2.gz ICKCXCPWVSZQEJ-UFBFGSQYSA-N 0 3 305.180 3.126 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121616484 1094727664 /nfs/dbraw/zinc/72/76/64/1094727664.db2.gz LYSFSRVZBJCSDH-WCWKGHBLSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1ccccc1F ZINC001276784658 1094759367 /nfs/dbraw/zinc/75/93/67/1094759367.db2.gz XPUGGJLIFBNWQU-OAHLLOKOSA-N 0 3 304.409 3.376 20 30 DGEDHN C#C[C@@H](COc1cccc(Cl)c1)Oc1cccc2c1CNC2 ZINC001218438692 1094775526 /nfs/dbraw/zinc/77/55/26/1094775526.db2.gz NGTGAZFNARWAAD-HNNXBMFYSA-N 0 3 313.784 3.403 20 30 DGEDHN N#Cc1ccc(Cl)c(Cl)c1O[C@H]1CNCCC1(F)F ZINC001218453618 1094785613 /nfs/dbraw/zinc/78/56/13/1094785613.db2.gz YTJRAZWOMNELQD-VIFPVBQESA-N 0 3 307.127 3.241 20 30 DGEDHN C(=NNC1CCSCC1)c1ccc(N2CCCCC2)cc1 ZINC001336992292 1094806738 /nfs/dbraw/zinc/80/67/38/1094806738.db2.gz DXUFVOVZJIEASL-UHFFFAOYSA-N 0 3 303.475 3.496 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(O[C@@H]2CNCc3ccccc32)n1 ZINC001218485242 1094808447 /nfs/dbraw/zinc/80/84/47/1094808447.db2.gz FVTYWSDYFXURDE-MRXNPFEDSA-N 0 3 307.397 3.474 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC001121914438 1094823966 /nfs/dbraw/zinc/82/39/66/1094823966.db2.gz SRTQBKVZACSYSA-QGZVFWFLSA-N 0 3 301.434 3.299 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1scnc1C ZINC001121916760 1094825468 /nfs/dbraw/zinc/82/54/68/1094825468.db2.gz JOBZSIBCJMMDRA-AWEZNQCLSA-N 0 3 311.495 3.488 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1F ZINC001121968747 1094851355 /nfs/dbraw/zinc/85/13/55/1094851355.db2.gz GSVSWWLAGPKFRR-NSHDSACASA-N 0 3 302.296 3.049 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cc(N)cc(F)c1 ZINC001122200686 1094924422 /nfs/dbraw/zinc/92/44/22/1094924422.db2.gz HELCGTIEOQAQJA-MRXNPFEDSA-N 0 3 309.429 3.102 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC001122254285 1094936115 /nfs/dbraw/zinc/93/61/15/1094936115.db2.gz NUKQECRJVFTAHV-OAHLLOKOSA-N 0 3 310.800 3.177 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC001136199577 1094942918 /nfs/dbraw/zinc/94/29/18/1094942918.db2.gz DLCOLDKZTLMJBV-SFHVURJKSA-N 0 3 312.457 3.296 20 30 DGEDHN CC(C)C1(C(=O)C(C#N)c2nc3ccccc3s2)COC1 ZINC001122481659 1094985200 /nfs/dbraw/zinc/98/52/00/1094985200.db2.gz BMLFZLYUKLJQJA-NSHDSACASA-N 0 3 300.383 3.145 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCOC2(CCCC2)C1)c1nc2ccccc2[nH]1 ZINC001122482409 1094985532 /nfs/dbraw/zinc/98/55/32/1094985532.db2.gz KCRJUBUXKXPCFI-ZIAGYGMSSA-N 0 3 323.396 3.479 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2occ(C)c2C)cc1 ZINC001122505642 1094992328 /nfs/dbraw/zinc/99/23/28/1094992328.db2.gz DKJMWUQESVSNAE-OAHLLOKOSA-N 0 3 310.353 3.420 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001111880352 1094996778 /nfs/dbraw/zinc/99/67/78/1094996778.db2.gz WEIRGRNSPWXFHY-ZWOKBUDYSA-N 0 3 318.505 3.443 20 30 DGEDHN N=C(N[C@H]1CCc2cccc(F)c2C1)c1ccc(Cl)cn1 ZINC001170953809 1095008732 /nfs/dbraw/zinc/00/87/32/1095008732.db2.gz BURFSKWBWYLNRS-LBPRGKRZSA-N 0 3 303.768 3.137 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001111900391 1095009472 /nfs/dbraw/zinc/00/94/72/1095009472.db2.gz PHFFZESUOITSTI-KPFFTGBYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(CC)[C@H](C)CC ZINC001122601473 1095015769 /nfs/dbraw/zinc/01/57/69/1095015769.db2.gz HIMGAAIQTROMSO-HZPDHXFCSA-N 0 3 319.497 3.288 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)CCCC)C[C@H]1C(F)(F)F ZINC001112094158 1095033195 /nfs/dbraw/zinc/03/31/95/1095033195.db2.gz WQCWOUKBPDZDGE-BFHYXJOUSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC(C)=C(C)C)C[C@H]1C(F)(F)F ZINC001112146805 1095037377 /nfs/dbraw/zinc/03/73/77/1095037377.db2.gz PCXUKGQAYSTPMV-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001220590843 1095121348 /nfs/dbraw/zinc/12/13/48/1095121348.db2.gz SGJPNOTZXHNYAW-KRWDZBQOSA-N 0 3 313.445 3.290 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4c(Cl)cccc4C3)CCC2S1 ZINC001171037067 1095172378 /nfs/dbraw/zinc/17/23/78/1095172378.db2.gz JKFPBQOVVLKWTE-CJNGLKHVSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4c(Cl)cccc4C3)CC[C@@H]2S1 ZINC001171037067 1095172386 /nfs/dbraw/zinc/17/23/86/1095172386.db2.gz JKFPBQOVVLKWTE-CJNGLKHVSA-N 0 3 319.857 3.471 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001123233776 1095194736 /nfs/dbraw/zinc/19/47/36/1095194736.db2.gz NMHXENALDXYCGL-QGZVFWFLSA-N 0 3 307.397 3.201 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1cc2c(s1)CCC2 ZINC001123337257 1095245750 /nfs/dbraw/zinc/24/57/50/1095245750.db2.gz PEAMNTQBJSHWOE-VIFPVBQESA-N 0 3 305.790 3.114 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221529493 1095296825 /nfs/dbraw/zinc/29/68/25/1095296825.db2.gz ISYCRFQVHKXZOS-QWFCFKBJSA-N 0 3 324.468 3.248 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539438 1095298975 /nfs/dbraw/zinc/29/89/75/1095298975.db2.gz ZJIXRHVSNFXDFL-BHIYHBOVSA-N 0 3 324.468 3.330 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001221779905 1095353556 /nfs/dbraw/zinc/35/35/56/1095353556.db2.gz SEWNGBNZFCMQFT-RTBURBONSA-N 0 3 312.457 3.384 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221832715 1095369181 /nfs/dbraw/zinc/36/91/81/1095369181.db2.gz ALNVAWYFJYIBHH-BRWVUGGUSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)CCCCC)[C@@H]2C1 ZINC001221854718 1095376284 /nfs/dbraw/zinc/37/62/84/1095376284.db2.gz CFXWEQJLOBNTFZ-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC001221886953 1095381781 /nfs/dbraw/zinc/38/17/81/1095381781.db2.gz WCSDFPWQRVJQAL-HUUCEWRRSA-N 0 3 319.474 3.036 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CCCCC)C(C)(C)C ZINC001221941017 1095394469 /nfs/dbraw/zinc/39/44/69/1095394469.db2.gz GEVSPDITPVFKRM-INIZCTEOSA-N 0 3 309.498 3.236 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCCCCCC)[C@@H]2C1 ZINC001221974101 1095402839 /nfs/dbraw/zinc/40/28/39/1095402839.db2.gz ZNKQNPCXSDBNGF-QZTJIDSGSA-N 0 3 304.478 3.293 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OC(F)(F)F)c2)C1 ZINC001143878236 1095419518 /nfs/dbraw/zinc/41/95/18/1095419518.db2.gz APNFPXZQCPZOPV-LBPRGKRZSA-N 0 3 313.319 3.439 20 30 DGEDHN COc1ccc(CN2CCC(S)CC2)cc1OC(F)(F)F ZINC001143879080 1095419691 /nfs/dbraw/zinc/41/96/91/1095419691.db2.gz WAXJOFCVDMDGCL-UHFFFAOYSA-N 0 3 321.364 3.488 20 30 DGEDHN N#CCOc1cccc(CNCc2cccc(OC(F)F)c2)c1 ZINC001116054976 1095447289 /nfs/dbraw/zinc/44/72/89/1095447289.db2.gz GRWBLWFAXQIQAS-UHFFFAOYSA-N 0 3 318.323 3.480 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)CCCC1 ZINC001222158093 1095464909 /nfs/dbraw/zinc/46/49/09/1095464909.db2.gz QHEMXRUMBNMDBE-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN CCCC[C@@H](CC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001123935618 1095488374 /nfs/dbraw/zinc/48/83/74/1095488374.db2.gz HNYHMQOIQQTMJH-OAHLLOKOSA-N 0 3 319.424 3.120 20 30 DGEDHN COc1cccc([C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)c1 ZINC001144166810 1095545258 /nfs/dbraw/zinc/54/52/58/1095545258.db2.gz XEHBBZGSTVWKQI-QGZVFWFLSA-N 0 3 307.397 3.341 20 30 DGEDHN C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1cc(F)ccc1[O-] ZINC001116568985 1095603282 /nfs/dbraw/zinc/60/32/82/1095603282.db2.gz XMJGHNZFMLVLGJ-GFCCVEGCSA-N 0 3 300.333 3.284 20 30 DGEDHN C[C@H](CNc1cccc(CC#N)n1)N1CCc2ccccc2C1 ZINC001116662387 1095629944 /nfs/dbraw/zinc/62/99/44/1095629944.db2.gz WMIAXOJLBLFPIU-OAHLLOKOSA-N 0 3 306.413 3.006 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NC(=N)c1ccc2ccccc2n1 ZINC001171192903 1095682473 /nfs/dbraw/zinc/68/24/73/1095682473.db2.gz QNVBNZUENOZTAE-CQSZACIVSA-N 0 3 314.392 3.443 20 30 DGEDHN O=C1C=C2CN(Cc3c(Cl)cncc3Cl)CCC2S1 ZINC001137605593 1095686393 /nfs/dbraw/zinc/68/63/93/1095686393.db2.gz YBDHEZOWQDEFIP-LBPRGKRZSA-N 0 3 315.225 3.163 20 30 DGEDHN Cc1cc(C#N)cc(C)c1-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001222648900 1095709117 /nfs/dbraw/zinc/70/91/17/1095709117.db2.gz QDWMHWRWTSSJTE-KRWDZBQOSA-N 0 3 318.424 3.441 20 30 DGEDHN C=CCCCN(CC)c1nnc([C@@H]2CCCN(C)C2)n1CC=C ZINC001339719897 1095709669 /nfs/dbraw/zinc/70/96/69/1095709669.db2.gz NQBOSDWKAWBALN-MRXNPFEDSA-N 0 3 317.481 3.066 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C)C[C@@H]1c1ccccc1 ZINC001171204322 1095756790 /nfs/dbraw/zinc/75/67/90/1095756790.db2.gz VTOQKTIQHNMRAY-LAUBAEHRSA-N 0 3 319.452 3.478 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)CC1 ZINC001171209493 1095770409 /nfs/dbraw/zinc/77/04/09/1095770409.db2.gz KGZBFFNLIVLNGJ-GOSISDBHSA-N 0 3 319.452 3.307 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1OC ZINC001339907456 1095774168 /nfs/dbraw/zinc/77/41/68/1095774168.db2.gz CHTOQEMOHNDUSG-JKSUJKDBSA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC001340014034 1095814612 /nfs/dbraw/zinc/81/46/12/1095814612.db2.gz MCPSPUNYYOJZGS-LSDHHAIUSA-N 0 3 315.442 3.032 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001091256998 1095857160 /nfs/dbraw/zinc/85/71/60/1095857160.db2.gz BYSKYPCOQNHTIB-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccoc2CCC)C1 ZINC001091324133 1095904502 /nfs/dbraw/zinc/90/45/02/1095904502.db2.gz XSAWMFJUIQBBCV-UHFFFAOYSA-N 0 3 310.825 3.083 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC001091353244 1095912229 /nfs/dbraw/zinc/91/22/29/1095912229.db2.gz DKFKSAWYPJLOAI-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001091380607 1095924435 /nfs/dbraw/zinc/92/44/35/1095924435.db2.gz BARJLZWVOHIPQV-SHARSMKWSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCCC[C@H](C)CC)CC1 ZINC001223327396 1095936746 /nfs/dbraw/zinc/93/67/46/1095936746.db2.gz GSSGQRRZCHFSGL-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CCCc3cccs3)C2)C1 ZINC001276885727 1095956563 /nfs/dbraw/zinc/95/65/63/1095956563.db2.gz BDEBGCSXDNDQLB-UHFFFAOYSA-N 0 3 318.486 3.181 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CC)C2CCC(C)CC2)CC1 ZINC001223442870 1095970364 /nfs/dbraw/zinc/97/03/64/1095970364.db2.gz DCHHGVWKGYKGIW-NKELODKYSA-N 0 3 318.505 3.300 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC001340548812 1095974548 /nfs/dbraw/zinc/97/45/48/1095974548.db2.gz INARIJBUEMRWHN-OCCSQVGLSA-N 0 3 318.417 3.031 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001223610871 1096014085 /nfs/dbraw/zinc/01/40/85/1096014085.db2.gz LKGUCYGAYNAWOY-PKOBYXMFSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OC(F)F ZINC001340736010 1096019240 /nfs/dbraw/zinc/01/92/40/1096019240.db2.gz OLXWIPAFHHIYHF-SNVBAGLBSA-N 0 3 302.296 3.049 20 30 DGEDHN C#CCN1CCC(CNC(=O)CCC2CCCCCC2)CC1 ZINC001223846122 1096079709 /nfs/dbraw/zinc/07/97/09/1096079709.db2.gz WUYBEBCPAZHQAG-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001224010088 1096115616 /nfs/dbraw/zinc/11/56/16/1096115616.db2.gz RITWKVNPKMNNFP-BBWFWOEESA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001276940042 1096117861 /nfs/dbraw/zinc/11/78/61/1096117861.db2.gz JNZDSFQBBQNYPQ-UONOGXRCSA-N 0 3 321.490 3.425 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C(C2CCC2)C2CCC2)CC1 ZINC001224247941 1096171654 /nfs/dbraw/zinc/17/16/54/1096171654.db2.gz CMWBTRKGYSVWLT-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001224276756 1096177895 /nfs/dbraw/zinc/17/78/95/1096177895.db2.gz IULRQKJQMWYYFJ-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(c1ccc(C#N)cc1)C2 ZINC001276960455 1096179092 /nfs/dbraw/zinc/17/90/92/1096179092.db2.gz IWMBYWWGRRGBIV-WBVHZDCISA-N 0 3 324.453 3.034 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC=C)CCCC3)C[C@@H]21 ZINC001224344642 1096194190 /nfs/dbraw/zinc/19/41/90/1096194190.db2.gz UALPVIVYLFOLRQ-SJORKVTESA-N 0 3 302.462 3.232 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224387052 1096200999 /nfs/dbraw/zinc/20/09/99/1096200999.db2.gz XHRHKKCUBYETFB-HNNXBMFYSA-N 0 3 320.399 3.369 20 30 DGEDHN C#CCCCC(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1)C2 ZINC001147440139 1096228591 /nfs/dbraw/zinc/22/85/91/1096228591.db2.gz JPXATHFUSTUUNB-FLIBITNWSA-N 0 3 322.452 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccco1 ZINC001224555339 1096237700 /nfs/dbraw/zinc/23/77/00/1096237700.db2.gz IXDQKJUPZUCMIP-VMFRVMOISA-N 0 3 308.809 3.062 20 30 DGEDHN C[C@H](CCC(C)(C)C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001147787572 1096271769 /nfs/dbraw/zinc/27/17/69/1096271769.db2.gz YUPUQWBKCSDETP-CYBMUJFWSA-N 0 3 321.490 3.288 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC001224762173 1096280385 /nfs/dbraw/zinc/28/03/85/1096280385.db2.gz MNVNERJPTMBBLJ-JXFKEZNVSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001148343265 1096352721 /nfs/dbraw/zinc/35/27/21/1096352721.db2.gz SCBHVYYICLYZEQ-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001225149378 1096353638 /nfs/dbraw/zinc/35/36/38/1096353638.db2.gz MFMGWXKFHYTVCL-QGZVFWFLSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001148620190 1096414120 /nfs/dbraw/zinc/41/41/20/1096414120.db2.gz JNJWLZDBEJUEPZ-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2nc(C)c(C)s2)C1 ZINC001277040342 1096418642 /nfs/dbraw/zinc/41/86/42/1096418642.db2.gz TWROTYUUUUEBGA-SHTZXODSSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CC[C@H](C(=O)N1CC2(C1)CCN(CC=C)C2)c1ccccc1 ZINC001148803695 1096450488 /nfs/dbraw/zinc/45/04/88/1096450488.db2.gz HJCNMVDWTUBFCX-SFHVURJKSA-N 0 3 310.441 3.067 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](CC)CCCCC)CC1 ZINC001225516082 1096455507 /nfs/dbraw/zinc/45/55/07/1096455507.db2.gz OOUWZLCQEWVSLI-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C(C)(C)CCCCC)CC1 ZINC001225524389 1096456291 /nfs/dbraw/zinc/45/62/91/1096456291.db2.gz BTFGFXNVAQJHSD-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)C1CC1 ZINC001225533853 1096460735 /nfs/dbraw/zinc/46/07/35/1096460735.db2.gz MCWSQQKGSQGWGS-NSISKUIASA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC(CNC(=O)C(CC(C)C)CC(C)C)CC1 ZINC001225603835 1096480741 /nfs/dbraw/zinc/48/07/41/1096480741.db2.gz MIYHLIJBZPEXEO-UHFFFAOYSA-N 0 3 306.494 3.156 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCC3(C)C)C2)CC1 ZINC001086937526 1096514678 /nfs/dbraw/zinc/51/46/78/1096514678.db2.gz RIYVXGZKXZKKMQ-IAGOWNOFSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001086946578 1096518292 /nfs/dbraw/zinc/51/82/92/1096518292.db2.gz CRHDDNDMPKKDMS-IRXDYDNUSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226482230 1096701302 /nfs/dbraw/zinc/70/13/02/1096701302.db2.gz YPZDTEJEIPPSOL-HUUCEWRRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001226532370 1096715683 /nfs/dbraw/zinc/71/56/83/1096715683.db2.gz CWSZRNUZBRVXIK-IAGOWNOFSA-N 0 3 319.424 3.094 20 30 DGEDHN Cc1cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)cc(C)c1C#N ZINC001226833154 1096790229 /nfs/dbraw/zinc/79/02/29/1096790229.db2.gz CBTQTXGMIUMMRB-CALCHBBNSA-N 0 3 314.429 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccoc3C(C)C)CCC[C@@H]12 ZINC001094587864 1096861988 /nfs/dbraw/zinc/86/19/88/1096861988.db2.gz UYBPHKQTEHZRSA-VQIMIIECSA-N 0 3 314.429 3.011 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC001171491796 1096897333 /nfs/dbraw/zinc/89/73/33/1096897333.db2.gz ZHQBOFNTMBKLRP-PKOBYXMFSA-N 0 3 310.441 3.226 20 30 DGEDHN C[NH+](C)CC[C@H](Oc1cc(C#N)ccc1[O-])c1cccs1 ZINC001227345044 1096918479 /nfs/dbraw/zinc/91/84/79/1096918479.db2.gz IPSJCBHXWKNWRU-AWEZNQCLSA-N 0 3 302.399 3.397 20 30 DGEDHN CCCCCCCN1CCc2nc(C(=O)N(C)C)ccc2C1 ZINC001277225906 1096963258 /nfs/dbraw/zinc/96/32/58/1096963258.db2.gz NRSYWNLSDHQVCW-UHFFFAOYSA-N 0 3 303.450 3.112 20 30 DGEDHN CCCCCCCN1CC[C@H]2C[C@]21C(=O)N1CC(F)(C2CC2)C1 ZINC001277226243 1096963587 /nfs/dbraw/zinc/96/35/87/1096963587.db2.gz STMVMFPYDXMRMY-QFBILLFUSA-N 0 3 322.468 3.382 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@H]2C(=O)N(C)CCOC)C1 ZINC001277233647 1096973410 /nfs/dbraw/zinc/97/34/10/1096973410.db2.gz QCYVIKQCWMJABM-KRWDZBQOSA-N 0 3 324.509 3.164 20 30 DGEDHN Cc1ccc(C)c(C(=O)NCCCNCc2ccccc2C#N)c1 ZINC001171946640 1097014580 /nfs/dbraw/zinc/01/45/80/1097014580.db2.gz GVSBOZPSEHNKSC-UHFFFAOYSA-N 0 3 321.424 3.085 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)N[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172013811 1097018700 /nfs/dbraw/zinc/01/87/00/1097018700.db2.gz RYZVDZDUJZJOMB-HUUCEWRRSA-N 0 3 314.429 3.055 20 30 DGEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](NCC1(C#N)CC1)C2 ZINC001172094247 1097041491 /nfs/dbraw/zinc/04/14/91/1097041491.db2.gz KQGWRUTWWACUJB-QDMKHBRRSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228123871 1097055702 /nfs/dbraw/zinc/05/57/02/1097055702.db2.gz SPUWADDCTCFWTB-FVQBIDKESA-N 0 3 321.490 3.262 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228130011 1097057917 /nfs/dbraw/zinc/05/79/17/1097057917.db2.gz LJRXFQCXMYZGTO-FVQBIDKESA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc[nH]c1C(C)C ZINC001277273677 1097068396 /nfs/dbraw/zinc/06/83/96/1097068396.db2.gz YRHCRIMQOJXHNN-ZDUSSCGKSA-N 0 3 311.857 3.379 20 30 DGEDHN Cc1ccnc(O[C@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC001228307757 1097093979 /nfs/dbraw/zinc/09/39/79/1097093979.db2.gz QBGIVXQPARXWBV-KRWDZBQOSA-N 0 3 307.397 3.305 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2cccc(O)c2)CC1 ZINC001172310853 1097096602 /nfs/dbraw/zinc/09/66/02/1097096602.db2.gz KDQVDFLBCNNJGM-MRXNPFEDSA-N 0 3 321.424 3.017 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN([C@@H](CC)CC(C)C)CC2 ZINC001172403898 1097129617 /nfs/dbraw/zinc/12/96/17/1097129617.db2.gz WMAJFMCGDOCNTK-HNNXBMFYSA-N 0 3 305.466 3.306 20 30 DGEDHN CCOCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172430291 1097139171 /nfs/dbraw/zinc/13/91/71/1097139171.db2.gz GGNMSMRECJMXSU-HNNXBMFYSA-N 0 3 304.409 3.498 20 30 DGEDHN C[C@H](CCCC#N)NCc1cn(Cc2ccccc2F)cn1 ZINC001172493001 1097167872 /nfs/dbraw/zinc/16/78/72/1097167872.db2.gz QYPMPNKGNKQVFF-CQSZACIVSA-N 0 3 300.381 3.242 20 30 DGEDHN C[C@H](CCCC#N)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172495002 1097169213 /nfs/dbraw/zinc/16/92/13/1097169213.db2.gz APEGCCLNYVTHIL-RBSFLKMASA-N 0 3 307.438 3.010 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228809521 1097195544 /nfs/dbraw/zinc/19/55/44/1097195544.db2.gz JGRHVBPJDYHGEO-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN CCCC[C@@H]1C[C@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172624627 1097206949 /nfs/dbraw/zinc/20/69/49/1097206949.db2.gz XQDLWPGYFXSDCE-HUUCEWRRSA-N 0 3 309.454 3.448 20 30 DGEDHN C=C(C)c1ccc(O[C@@H]2C[C@@H]3[C@@H](OC(C)=O)C[C@H](C2)N3C)cc1 ZINC001229079075 1097251494 /nfs/dbraw/zinc/25/14/94/1097251494.db2.gz PLIRRRWOFCFALD-KANFNMMFSA-N 0 3 315.413 3.265 20 30 DGEDHN CN1CC[C@@H](Oc2ccccc2/C=N/N=C/c2ccccc2)C1 ZINC001229288458 1097290404 /nfs/dbraw/zinc/29/04/04/1097290404.db2.gz SFMNNRLOLUBCAL-HUNNYGKRSA-N 0 3 307.397 3.223 20 30 DGEDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1CCC(C)(C#N)CC1 ZINC001172976156 1097296051 /nfs/dbraw/zinc/29/60/51/1097296051.db2.gz YMIRIWQFSYDZSV-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CC[C@@H](CC)C1 ZINC001173276685 1097410155 /nfs/dbraw/zinc/41/01/55/1097410155.db2.gz DDWKKOITLKEJLJ-BFYDXBDKSA-N 0 3 303.450 3.101 20 30 DGEDHN CCN(CC)C[C@@H](C)Oc1cccc2c1C(=O)C=C(C)C2=O ZINC001229914186 1097410628 /nfs/dbraw/zinc/41/06/28/1097410628.db2.gz NWMXNVFUKVZQCS-CYBMUJFWSA-N 0 3 301.386 3.121 20 30 DGEDHN CCCCCCCCC[C@H](CCC)NS(=O)(=O)CCN ZINC001173284321 1097414348 /nfs/dbraw/zinc/41/43/48/1097414348.db2.gz FGVBLKAYHIVTBY-HNNXBMFYSA-N 0 3 306.516 3.174 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001230006699 1097427038 /nfs/dbraw/zinc/42/70/38/1097427038.db2.gz MXPKIYMBOUUMJG-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN N=C(NC1Cc2cc(F)c(F)cc2C1)c1ccc2ccccc2n1 ZINC001173476822 1097445830 /nfs/dbraw/zinc/44/58/30/1097445830.db2.gz VPBLXLXJMPEUFM-UHFFFAOYSA-N 0 3 323.346 3.386 20 30 DGEDHN CC1(C#N)CCC(n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001173600357 1097469105 /nfs/dbraw/zinc/46/91/05/1097469105.db2.gz CCIPJVBSVRDYLJ-UHFFFAOYSA-N 0 3 312.339 3.193 20 30 DGEDHN CN(C)Cc1ccccc1Nc1nc2ncccc2cc1C#N ZINC001173929759 1097555716 /nfs/dbraw/zinc/55/57/16/1097555716.db2.gz WOPIHKYVHYUJJE-UHFFFAOYSA-N 0 3 303.369 3.307 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@@H](C)C1CC1)Cc1cccnc1 ZINC001230723049 1097565455 /nfs/dbraw/zinc/56/54/55/1097565455.db2.gz ZCBWJXIVDCTESR-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(CC)Cc2cccnc2)CC1 ZINC001230837603 1097602785 /nfs/dbraw/zinc/60/27/85/1097602785.db2.gz BHXBGDRLKLDOKD-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C[C@H]1C[C@H]1C)Cc1cccnc1 ZINC001230839059 1097604230 /nfs/dbraw/zinc/60/42/30/1097604230.db2.gz ZLPIKIDGOJONKZ-SJLPKXTDSA-N 0 3 315.461 3.012 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848174 1097605860 /nfs/dbraw/zinc/60/58/60/1097605860.db2.gz BKDPZUUNLHGLKM-GJZGRUSLSA-N 0 3 300.512 3.241 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230978591 1097636781 /nfs/dbraw/zinc/63/67/81/1097636781.db2.gz YOMRLMPGCCLUID-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC/C=C/CCC ZINC001231095844 1097668232 /nfs/dbraw/zinc/66/82/32/1097668232.db2.gz UNIQUFVBXFWVEE-AQRBRUGDSA-N 0 3 322.493 3.247 20 30 DGEDHN CC[C@@H](F)CN1CCC2(CCN(C(=O)C#CC(C)(C)C)C2)CC1 ZINC001277490342 1097680136 /nfs/dbraw/zinc/68/01/36/1097680136.db2.gz PSTMUDLVABKCCJ-MRXNPFEDSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCc1ccccc1CC ZINC001231170609 1097687080 /nfs/dbraw/zinc/68/70/80/1097687080.db2.gz RGPZYLSFQHWONY-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCc1cccc(C)c1 ZINC001231169496 1097687189 /nfs/dbraw/zinc/68/71/89/1097687189.db2.gz HSXJCWTWNZNZJE-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCc1ccc(CC)cc1 ZINC001231179880 1097689960 /nfs/dbraw/zinc/68/99/60/1097689960.db2.gz XMAZUZRMNMGWEW-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CC[C@H]1CCCC1(F)F ZINC001231178401 1097690299 /nfs/dbraw/zinc/69/02/99/1097690299.db2.gz KQRYJBWHKCGNCD-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001231247677 1097702862 /nfs/dbraw/zinc/70/28/62/1097702862.db2.gz QMEOFSZKXPHAKD-INIZCTEOSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccncc1F ZINC001231350290 1097728432 /nfs/dbraw/zinc/72/84/32/1097728432.db2.gz QXFHSLMKQJJPSQ-HNNXBMFYSA-N 0 3 319.424 3.113 20 30 DGEDHN COC(=O)CCN(C)Cc1ccccc1C#Cc1ccccc1 ZINC001231578057 1097782872 /nfs/dbraw/zinc/78/28/72/1097782872.db2.gz IFETXTINCZZNQD-UHFFFAOYSA-N 0 3 307.393 3.081 20 30 DGEDHN C=CCN(CC(=O)NC1(c2ccccc2)CCC1)C(C)(C)C ZINC001174641129 1097785969 /nfs/dbraw/zinc/78/59/69/1097785969.db2.gz CIHQSDCVFZLPGN-UHFFFAOYSA-N 0 3 300.446 3.469 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)CC/C=C/c1cccnc1 ZINC001231620632 1097793034 /nfs/dbraw/zinc/79/30/34/1097793034.db2.gz HARRQNBVUZSGDL-ZZXKWVIFSA-N 0 3 307.397 3.497 20 30 DGEDHN C=CCOc1cccc(CN2CCC3(C[C@@H](F)CO3)CC2)c1 ZINC001231624932 1097794590 /nfs/dbraw/zinc/79/45/90/1097794590.db2.gz HZYSZJACXPOYOI-MRXNPFEDSA-N 0 3 305.393 3.344 20 30 DGEDHN C#Cc1cccc(CN2CCC(C(=O)OCC)(C(C)C)CC2)c1 ZINC001231660992 1097805654 /nfs/dbraw/zinc/80/56/54/1097805654.db2.gz MMFATEHITNLTFS-UHFFFAOYSA-N 0 3 313.441 3.469 20 30 DGEDHN C#Cc1cccc(CN2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001231661212 1097806820 /nfs/dbraw/zinc/80/68/20/1097806820.db2.gz PZEYOGOXLUERBQ-NRFANRHFSA-N 0 3 302.421 3.083 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](CNCc1ncccc1C)C1CC1 ZINC001277655010 1098028425 /nfs/dbraw/zinc/02/84/25/1098028425.db2.gz HLCTYRXABNELNK-SFHVURJKSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](CNCc1ncccc1C)C1CC1 ZINC001277655009 1098028854 /nfs/dbraw/zinc/02/88/54/1098028854.db2.gz HLCTYRXABNELNK-GOSISDBHSA-N 0 3 315.461 3.073 20 30 DGEDHN COc1ccc(C[C@H]2CCCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001232480256 1098052555 /nfs/dbraw/zinc/05/25/55/1098052555.db2.gz QVOFOBUOJICBFQ-GOSISDBHSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001175467955 1098054219 /nfs/dbraw/zinc/05/42/19/1098054219.db2.gz AVTHLTNKDZRQSV-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccccc3F)C2(C)C)C1=O ZINC001175452092 1098066967 /nfs/dbraw/zinc/06/69/67/1098066967.db2.gz AMWXKAUJFHBCKB-NVXWUHKLSA-N 0 3 316.420 3.181 20 30 DGEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001175506553 1098077204 /nfs/dbraw/zinc/07/72/04/1098077204.db2.gz GBVMRDZYPWBFLA-UHFFFAOYSA-N 0 3 305.381 3.466 20 30 DGEDHN CCC1(C(=O)N(C)[C@H](CNCC#Cc2ccccc2)C2CC2)CC1 ZINC001277692345 1098102605 /nfs/dbraw/zinc/10/26/05/1098102605.db2.gz AOTBNFRWOXUBIW-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)s1)C2 ZINC001110188630 1098131552 /nfs/dbraw/zinc/13/15/52/1098131552.db2.gz JTLUXFMTQIOIDO-AGIUHOORSA-N 0 3 308.422 3.189 20 30 DGEDHN CC(=O)N(C(C)C)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083500 1098222523 /nfs/dbraw/zinc/22/25/23/1098222523.db2.gz NRBUWYCOMRKIEE-UHFFFAOYSA-N 0 3 313.445 3.088 20 30 DGEDHN CCOC(=O)C[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233080789 1098222536 /nfs/dbraw/zinc/22/25/36/1098222536.db2.gz WYSANBNDJBRZLK-MRXNPFEDSA-N 0 3 300.402 3.032 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2cc(F)cc(F)c2)C1 ZINC001233406012 1098317509 /nfs/dbraw/zinc/31/75/09/1098317509.db2.gz WZRYOEVLYMCWBQ-GFCCVEGCSA-N 0 3 301.340 3.200 20 30 DGEDHN Cc1cc([C@H]2CCCCN2CCCC2(C#N)CCOCC2)[nH]n1 ZINC001176485435 1098364703 /nfs/dbraw/zinc/36/47/03/1098364703.db2.gz NLPNNMHSKIROEX-QGZVFWFLSA-N 0 3 316.449 3.346 20 30 DGEDHN Cc1cc([C@H]2CCCCN2CCCC2(C#N)CCOCC2)n[nH]1 ZINC001176485435 1098364708 /nfs/dbraw/zinc/36/47/08/1098364708.db2.gz NLPNNMHSKIROEX-QGZVFWFLSA-N 0 3 316.449 3.346 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1C ZINC001233528644 1098365798 /nfs/dbraw/zinc/36/57/98/1098365798.db2.gz CEPCNQYGRHGUBV-QGZVFWFLSA-N 0 3 315.461 3.283 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccc(F)c(C#N)c3)cc2)CC1 ZINC001176615936 1098393001 /nfs/dbraw/zinc/39/30/01/1098393001.db2.gz UELIWEOKLRSFAJ-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001233770144 1098426732 /nfs/dbraw/zinc/42/67/32/1098426732.db2.gz HIOTYTLENNKPBB-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001176781756 1098429354 /nfs/dbraw/zinc/42/93/54/1098429354.db2.gz MEEVIOTZWNCIJU-MRXNPFEDSA-N 0 3 324.852 3.037 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(C)o1 ZINC001233792072 1098432134 /nfs/dbraw/zinc/43/21/34/1098432134.db2.gz JNSMMXFTFVIRHY-QGZVFWFLSA-N 0 3 318.461 3.410 20 30 DGEDHN C=C(Br)CN1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001176887452 1098447606 /nfs/dbraw/zinc/44/76/06/1098447606.db2.gz RQNXHDFVKCDJLA-KBPBESRZSA-N 0 3 301.272 3.090 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001233967358 1098468378 /nfs/dbraw/zinc/46/83/78/1098468378.db2.gz ZPLUXISUBWZAIM-ROUUACIJSA-N 0 3 312.457 3.392 20 30 DGEDHN CCCCCC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001233978475 1098470611 /nfs/dbraw/zinc/47/06/11/1098470611.db2.gz RXKCPMXPTIUVCT-UHFFFAOYSA-N 0 3 319.424 3.216 20 30 DGEDHN Cc1cc(Br)cc(C#N)c1OC1CCN(C)CC1 ZINC001234009871 1098476717 /nfs/dbraw/zinc/47/67/17/1098476717.db2.gz IGEIHZGPPITQJI-UHFFFAOYSA-N 0 3 309.207 3.102 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Cc1ccccc1C ZINC001177170191 1098480153 /nfs/dbraw/zinc/48/01/53/1098480153.db2.gz XEJFVVUIEJSQPD-CQSZACIVSA-N 0 3 308.853 3.022 20 30 DGEDHN COc1cc(CN2CCC[C@H](C#N)CC2)ccc1-n1ccnc1 ZINC001234068215 1098489299 /nfs/dbraw/zinc/48/92/99/1098489299.db2.gz YWHJRTHXNHNLRG-HNNXBMFYSA-N 0 3 310.401 3.007 20 30 DGEDHN C=CCCCCC[N@@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234107634 1098496299 /nfs/dbraw/zinc/49/62/99/1098496299.db2.gz JOFJITVNXINDDH-UHFFFAOYSA-N 0 3 304.434 3.190 20 30 DGEDHN C=CCCCCC[N@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234107634 1098496301 /nfs/dbraw/zinc/49/63/01/1098496301.db2.gz JOFJITVNXINDDH-UHFFFAOYSA-N 0 3 304.434 3.190 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001277834282 1098502557 /nfs/dbraw/zinc/50/25/57/1098502557.db2.gz DNCWDLKXOLWZGF-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCC1=CCCCC1 ZINC001234159638 1098507282 /nfs/dbraw/zinc/50/72/82/1098507282.db2.gz BHJHPFRVXDXUCN-SFHVURJKSA-N 0 3 302.462 3.069 20 30 DGEDHN CN(C[C@H]1CCN1[C@@H]1CCCc2ccccc21)C(=O)C#CC1CC1 ZINC001234195958 1098511882 /nfs/dbraw/zinc/51/18/82/1098511882.db2.gz OOHSTSKICWYQPH-UYAOXDASSA-N 0 3 322.452 3.010 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234313914 1098535189 /nfs/dbraw/zinc/53/51/89/1098535189.db2.gz OEMRYBUFYMRNIV-AWEZNQCLSA-N 0 3 314.420 3.311 20 30 DGEDHN CCN1CCC[C@H](Oc2ccc(/C=C/C(C)=O)cc2OC)C1 ZINC001234339782 1098540125 /nfs/dbraw/zinc/54/01/25/1098540125.db2.gz RAFQLORJWOCSSP-WAVCKPEOSA-N 0 3 303.402 3.161 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001234563314 1098602524 /nfs/dbraw/zinc/60/25/24/1098602524.db2.gz POFBBAUFZMSKAT-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCC1CCOCC1 ZINC001234614289 1098619374 /nfs/dbraw/zinc/61/93/74/1098619374.db2.gz PEKINOMHNPDYHK-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1C[C@H](OC)C1CCCC1 ZINC001234614507 1098619623 /nfs/dbraw/zinc/61/96/23/1098619623.db2.gz SWAICMRTJAFJPK-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN Cc1cc(NC(=O)C(C#N)Cc2cccs2)n(C2CCC2)n1 ZINC001177902869 1098642827 /nfs/dbraw/zinc/64/28/27/1098642827.db2.gz BLYLMAOVJQKIQV-GFCCVEGCSA-N 0 3 314.414 3.299 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cnc(C2CC2)s1 ZINC001177904182 1098643895 /nfs/dbraw/zinc/64/38/95/1098643895.db2.gz NPTBVOJRZLEDHJ-JTQLQIEISA-N 0 3 303.412 3.403 20 30 DGEDHN Cc1cccc2ncc(NC(=O)C(C#N)Cc3cccs3)n21 ZINC001177907506 1098644882 /nfs/dbraw/zinc/64/48/82/1098644882.db2.gz BADQSYQYGMJHIX-LBPRGKRZSA-N 0 3 310.382 3.025 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001277906386 1098704075 /nfs/dbraw/zinc/70/40/75/1098704075.db2.gz BNMIKGORXXKDRM-GOSISDBHSA-N 0 3 312.457 3.221 20 30 DGEDHN CC/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178245401 1098752635 /nfs/dbraw/zinc/75/26/35/1098752635.db2.gz HIXQWSRXILMRTF-FHAOKNKQSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1scnc1CC ZINC001235068918 1098783450 /nfs/dbraw/zinc/78/34/50/1098783450.db2.gz AMEPLOPSVKCKST-UONOGXRCSA-N 0 3 321.490 3.207 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001178320036 1098794951 /nfs/dbraw/zinc/79/49/51/1098794951.db2.gz BUECOLBNFZRVQF-YOEHRIQHSA-N 0 3 312.413 3.478 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001277922689 1098801351 /nfs/dbraw/zinc/80/13/51/1098801351.db2.gz PTVLIEXSWOAMHM-CYBMUJFWSA-N 0 3 309.841 3.028 20 30 DGEDHN CC(C)C#CC(=O)NCCCCCCNC/C(Cl)=C\Cl ZINC001178427331 1098833766 /nfs/dbraw/zinc/83/37/66/1098833766.db2.gz ZQZBWTQXSTVNGR-SDNWHVSQSA-N 0 3 319.276 3.231 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235170154 1098852034 /nfs/dbraw/zinc/85/20/34/1098852034.db2.gz FDDDFBHCUAOYTI-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001178791756 1098931936 /nfs/dbraw/zinc/93/19/36/1098931936.db2.gz RWPNZTMVAJOERU-WFASDCNBSA-N 0 3 321.490 3.133 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccccc2CC#N)C1 ZINC001235523919 1099071597 /nfs/dbraw/zinc/07/15/97/1099071597.db2.gz WDYKHLGPYHNJJB-QGZVFWFLSA-N 0 3 314.429 3.306 20 30 DGEDHN N#CCc1ccccc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001235524725 1099075546 /nfs/dbraw/zinc/07/55/46/1099075546.db2.gz GQIINKUZRHOKDD-NRFANRHFSA-N 0 3 317.436 3.168 20 30 DGEDHN N#CCc1ccccc1CN1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001235529063 1099076634 /nfs/dbraw/zinc/07/66/34/1099076634.db2.gz WLMDNHGAEBPFKH-LJQANCHMSA-N 0 3 304.393 3.457 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179340320 1099078378 /nfs/dbraw/zinc/07/83/78/1099078378.db2.gz YYDAVYPDWSSLHC-OAHLLOKOSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001179451606 1099104297 /nfs/dbraw/zinc/10/42/97/1099104297.db2.gz CFYAZFVMMZCIBT-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN Oc1ccc(CN2CCC(S)CC2)cc1OC(F)(F)F ZINC001235668639 1099113002 /nfs/dbraw/zinc/11/30/02/1099113002.db2.gz FGADNXRDOQDCEH-UHFFFAOYSA-N 0 3 307.337 3.185 20 30 DGEDHN COc1cc(CNCc2c[nH]c(=O)c3ccccc23)ccc1C#N ZINC001179617200 1099148449 /nfs/dbraw/zinc/14/84/49/1099148449.db2.gz ZPFYHZPRCKWLSY-UHFFFAOYSA-N 0 3 319.364 3.110 20 30 DGEDHN CSc1ccc(CNCc2[nH]nc3ccccc32)cc1C#N ZINC001179584488 1099150778 /nfs/dbraw/zinc/15/07/78/1099150778.db2.gz RWXZTIOKWQYGMD-UHFFFAOYSA-N 0 3 308.410 3.446 20 30 DGEDHN C=CCOc1ccccc1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235853804 1099214296 /nfs/dbraw/zinc/21/42/96/1099214296.db2.gz MCEIQKBDIPRUAB-LJQANCHMSA-N 0 3 308.425 3.398 20 30 DGEDHN Cc1nc(C#N)cnc1-c1cccc(CN2CCCCC2)c1F ZINC001236005315 1099326798 /nfs/dbraw/zinc/32/67/98/1099326798.db2.gz NALAXJKDLMGDGB-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN N#CCc1ncc(-c2ccc(CN3CCCCC3)c(F)c2)cn1 ZINC001236249625 1099501465 /nfs/dbraw/zinc/50/14/65/1099501465.db2.gz YHFBPSCCXWVKQF-UHFFFAOYSA-N 0 3 310.376 3.335 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(F)c(Cl)c1 ZINC001187715293 1099585202 /nfs/dbraw/zinc/58/52/02/1099585202.db2.gz KZQOLFJDLWKMRI-LBPRGKRZSA-N 0 3 311.788 3.251 20 30 DGEDHN CCc1ccc(CN2CCN(c3cccc(C#N)c3)CC2)c(O)c1 ZINC001236791454 1099788316 /nfs/dbraw/zinc/78/83/16/1099788316.db2.gz HMUJLMFJCSDKQE-UHFFFAOYSA-N 0 3 321.424 3.148 20 30 DGEDHN C=CCN(C)Cc1ccc(-n2cccn2)c(Br)c1 ZINC001236912025 1099871620 /nfs/dbraw/zinc/87/16/20/1099871620.db2.gz ABWASNNSGUEGCH-UHFFFAOYSA-N 0 3 306.207 3.253 20 30 DGEDHN SC1CCN(Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001236918230 1099877905 /nfs/dbraw/zinc/87/79/05/1099877905.db2.gz ZMTXFHALILTFJA-UHFFFAOYSA-N 0 3 307.850 3.420 20 30 DGEDHN C#CC1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236919729 1099878290 /nfs/dbraw/zinc/87/82/90/1099878290.db2.gz PSRJHGHJVZWQSH-UHFFFAOYSA-N 0 3 318.848 3.022 20 30 DGEDHN CCCCCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001188905389 1099897689 /nfs/dbraw/zinc/89/76/89/1099897689.db2.gz DOERYLQRTANKDD-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2cc(C)sc2C)C1 ZINC001189268613 1100011093 /nfs/dbraw/zinc/01/10/93/1100011093.db2.gz CRBKVYMBAKNKGI-MRXNPFEDSA-N 0 3 306.475 3.364 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001189269903 1100013452 /nfs/dbraw/zinc/01/34/52/1100013452.db2.gz MNVXMPPIHPJPDS-YOEHRIQHSA-N 0 3 304.409 3.386 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(OC)c2)C1 ZINC001189318755 1100023386 /nfs/dbraw/zinc/02/33/86/1100023386.db2.gz OTLZIFCHCZTKQU-QGZVFWFLSA-N 0 3 316.445 3.003 20 30 DGEDHN CCC[C@H](C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189462501 1100064893 /nfs/dbraw/zinc/06/48/93/1100064893.db2.gz WHLQOYFEPJGRHX-YJBOKZPZSA-N 0 3 313.445 3.027 20 30 DGEDHN N#Cc1cccc(CN2CCC3(CCNc4ccccc43)CC2)n1 ZINC001237319612 1100074612 /nfs/dbraw/zinc/07/46/12/1100074612.db2.gz DJDBGKMZUOMXOK-UHFFFAOYSA-N 0 3 318.424 3.303 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)c1 ZINC001237469410 1100133819 /nfs/dbraw/zinc/13/38/19/1100133819.db2.gz UWEYYKIHWMKRCL-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189903029 1100157746 /nfs/dbraw/zinc/15/77/46/1100157746.db2.gz RWTCUCRGYLTUOU-UZRURVBFSA-N 0 3 310.441 3.036 20 30 DGEDHN C#CCC1(C(=O)N(C)CCCN(C)C[C@@H](F)CC)CCCCC1 ZINC001273591650 1100183217 /nfs/dbraw/zinc/18/32/17/1100183217.db2.gz YZWPCKZIYKSQOU-KRWDZBQOSA-N 0 3 324.484 3.489 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC1CCC(C)(C)CC1 ZINC001273598676 1100241338 /nfs/dbraw/zinc/24/13/38/1100241338.db2.gz GMJKEMLKSMVEQS-UHFFFAOYSA-N 0 3 306.494 3.397 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001190422255 1100270950 /nfs/dbraw/zinc/27/09/50/1100270950.db2.gz HWKWMASVCVDHRU-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(OC)cc2)C1 ZINC001190428368 1100272229 /nfs/dbraw/zinc/27/22/29/1100272229.db2.gz IDUYLLWFCTXQOF-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C#Cc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001191117270 1100404537 /nfs/dbraw/zinc/40/45/37/1100404537.db2.gz ZAUDVFCLUCBSKX-FQEVSTJZSA-N 0 3 318.420 3.235 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ncc(C)cc1C)C2 ZINC001238428957 1100441097 /nfs/dbraw/zinc/44/10/97/1100441097.db2.gz KTXNKUJWQIRXPX-PKOBYXMFSA-N 0 3 316.445 3.025 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191421836 1100464138 /nfs/dbraw/zinc/46/41/38/1100464138.db2.gz CYGNUGLPIXESII-MSOLQXFVSA-N 0 3 324.509 3.328 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001281953535 1100516678 /nfs/dbraw/zinc/51/66/78/1100516678.db2.gz XSAFYEBIWJUWHR-SFHVURJKSA-N 0 3 304.478 3.459 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001191792268 1100523594 /nfs/dbraw/zinc/52/35/94/1100523594.db2.gz YVBDVPWKRIEIRA-ONGAVZMUSA-N 0 3 323.440 3.113 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191867428 1100536352 /nfs/dbraw/zinc/53/63/52/1100536352.db2.gz BCBHNRLMDRWGKL-QAPCUYQASA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001191868333 1100537120 /nfs/dbraw/zinc/53/71/20/1100537120.db2.gz RTPQGVJUNDZUOO-YJBOKZPZSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001191868332 1100537416 /nfs/dbraw/zinc/53/74/16/1100537416.db2.gz RTPQGVJUNDZUOO-QAPCUYQASA-N 0 3 318.436 3.461 20 30 DGEDHN CCCCCCCCCCS(=O)(=O)N1CCN[C@@H](C)CC1 ZINC001238991128 1100569237 /nfs/dbraw/zinc/56/92/37/1100569237.db2.gz ZIYAXSODEGTMJF-INIZCTEOSA-N 0 3 318.527 3.141 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001192170422 1100581009 /nfs/dbraw/zinc/58/10/09/1100581009.db2.gz LKWKSIJCVJVRBI-MJGOQNOKSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H](N(C)CCOCCCC)C2)CC1 ZINC001192181600 1100587168 /nfs/dbraw/zinc/58/71/68/1100587168.db2.gz WHMIAVHTWRCAAK-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCCCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001239231217 1100606779 /nfs/dbraw/zinc/60/67/79/1100606779.db2.gz JYSAUMXORCZOSA-SFHVURJKSA-N 0 3 317.477 3.361 20 30 DGEDHN CC(C)CCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001193325005 1100727839 /nfs/dbraw/zinc/72/78/39/1100727839.db2.gz XNKLYHOCKRRMCG-SFHVURJKSA-N 0 3 303.425 3.444 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110459698 1100747254 /nfs/dbraw/zinc/74/72/54/1100747254.db2.gz XWUINBMHRBAFBR-AQNXPRMDSA-N 0 3 324.468 3.410 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001193877573 1100821947 /nfs/dbraw/zinc/82/19/47/1100821947.db2.gz HCGCVDOVPVXBRR-ROUUACIJSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001194164931 1100880190 /nfs/dbraw/zinc/88/01/90/1100880190.db2.gz VLJPUYKEYSLWRE-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccccc3CC#N)c2)CC1 ZINC001240298338 1100930304 /nfs/dbraw/zinc/93/03/04/1100930304.db2.gz VQNHTUMZISNVKH-UHFFFAOYSA-N 0 3 305.425 3.167 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCCc2ccc(C)cc2)C1 ZINC001194407332 1100936139 /nfs/dbraw/zinc/93/61/39/1100936139.db2.gz KVDZTNWZKKCGQQ-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(CCc3ccccc3)CC2)C1 ZINC001194629979 1100976496 /nfs/dbraw/zinc/97/64/96/1100976496.db2.gz UMPBGGZICKJELJ-GOSISDBHSA-N 0 3 312.457 3.118 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cccc(F)c3C#N)cc2)CC1 ZINC001240402086 1100979386 /nfs/dbraw/zinc/97/93/86/1100979386.db2.gz HYODVSGBIPCDLZ-UHFFFAOYSA-N 0 3 309.388 3.112 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cc(C)no2)CC1 ZINC001194819591 1101016846 /nfs/dbraw/zinc/01/68/46/1101016846.db2.gz PXIJRGJDKGRDTF-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN CCCCCCCCCOC(=O)N1CCOC[C@H]1CN(C)C ZINC001194913552 1101035735 /nfs/dbraw/zinc/03/57/35/1101035735.db2.gz FBLIMPGUXSGQRL-MRXNPFEDSA-N 0 3 314.470 3.136 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccnc(F)c2)CC1 ZINC001195089363 1101069154 /nfs/dbraw/zinc/06/91/54/1101069154.db2.gz MTQNVGZDEXXNPA-UHFFFAOYSA-N 0 3 321.440 3.339 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CCCCCC)CC1 ZINC001195126572 1101077107 /nfs/dbraw/zinc/07/71/07/1101077107.db2.gz XPSWUZUICHITJD-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC/C=C\CCC)CC1 ZINC001195175046 1101092569 /nfs/dbraw/zinc/09/25/69/1101092569.db2.gz YUAXKWAHRAXGAV-GIFJBRJJSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCCCCN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC001195241627 1101103973 /nfs/dbraw/zinc/10/39/73/1101103973.db2.gz IMYQJOPLFZTZDB-LJQANCHMSA-N 0 3 312.457 3.392 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cncc(F)c2)CC1 ZINC001195480537 1101145591 /nfs/dbraw/zinc/14/55/91/1101145591.db2.gz HSQKDHXPNYFKQQ-UHFFFAOYSA-N 0 3 321.440 3.339 20 30 DGEDHN C#CCCCC(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC001195674570 1101172765 /nfs/dbraw/zinc/17/27/65/1101172765.db2.gz HKRLFDJJQJDGJW-UHFFFAOYSA-N 0 3 318.486 3.019 20 30 DGEDHN C=C(C)CCC(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001196018297 1101237376 /nfs/dbraw/zinc/23/73/76/1101237376.db2.gz NIIIYIJSUWJLTC-UHFFFAOYSA-N 0 3 314.473 3.428 20 30 DGEDHN C#CCC1(C(=O)N2CCCN([C@@H](C)c3ccccc3)CC2)CCC1 ZINC001196108214 1101243775 /nfs/dbraw/zinc/24/37/75/1101243775.db2.gz ZTYHXNOIOMIGBP-SFHVURJKSA-N 0 3 324.468 3.476 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc(COC)cs2)CC1 ZINC001196424138 1101306627 /nfs/dbraw/zinc/30/66/27/1101306627.db2.gz TZTNFMUKKPQPIL-UHFFFAOYSA-N 0 3 322.474 3.009 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001196548314 1101336261 /nfs/dbraw/zinc/33/62/61/1101336261.db2.gz QCPPDJDGIBJNDX-UHFFFAOYSA-N 0 3 309.429 3.272 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196666026 1101363401 /nfs/dbraw/zinc/36/34/01/1101363401.db2.gz OPFBMEWYWQPGFC-UCFODXPJSA-N 0 3 322.493 3.106 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cocc2C)CC1 ZINC001196774664 1101397536 /nfs/dbraw/zinc/39/75/36/1101397536.db2.gz JHDYISMNHJRKFD-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001196830492 1101402929 /nfs/dbraw/zinc/40/29/29/1101402929.db2.gz KWKWTMKMBXMVQM-MSOLQXFVSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196879519 1101411348 /nfs/dbraw/zinc/41/13/48/1101411348.db2.gz BTEUTKQNCKKINZ-CQSZACIVSA-N 0 3 314.420 3.168 20 30 DGEDHN COc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1CC#N ZINC001241503604 1101516486 /nfs/dbraw/zinc/51/64/86/1101516486.db2.gz WZDGOXGAXSQFTB-UHFFFAOYSA-N 0 3 319.408 3.446 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C)cc(C)c1 ZINC001110493105 1101571916 /nfs/dbraw/zinc/57/19/16/1101571916.db2.gz DBURMXMQUNSUFE-AQNXPRMDSA-N 0 3 324.468 3.328 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001278335183 1101675121 /nfs/dbraw/zinc/67/51/21/1101675121.db2.gz HXQNTNCBRCFLEH-AZUAARDMSA-N 0 3 316.489 3.317 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C\C(C)(C)C)C2 ZINC001278335941 1101700212 /nfs/dbraw/zinc/70/02/12/1101700212.db2.gz MVMOZUCMWHWQPI-YBNHLDJLSA-N 0 3 316.489 3.317 20 30 DGEDHN CCCCCCCCCC(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC001197928878 1101703078 /nfs/dbraw/zinc/70/30/78/1101703078.db2.gz YCMNMNOMWQTQEE-QGZVFWFLSA-N 0 3 312.498 3.042 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N1CCCN(C(C)C)CC1 ZINC001198196400 1101786117 /nfs/dbraw/zinc/78/61/17/1101786117.db2.gz DTRUCOAWDZESME-IBGZPJMESA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCC[C@H]1CCCN1Cc1csc(-c2cnn(C)c2)n1 ZINC001198406060 1101846017 /nfs/dbraw/zinc/84/60/17/1101846017.db2.gz FDZPAVLAZWXYQH-HNNXBMFYSA-N 0 3 302.447 3.474 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(C[C@@H](CC)OC)CC2)CCCC1 ZINC001198422777 1101851795 /nfs/dbraw/zinc/85/17/95/1101851795.db2.gz FZJIBSDYQCFRPL-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)CCC)c1ccccc1OC ZINC001198490759 1101874639 /nfs/dbraw/zinc/87/46/39/1101874639.db2.gz CXIJXQBAJMNLSK-INIZCTEOSA-N 0 3 304.434 3.208 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)CCC)c1ccccc1OC ZINC001198492732 1101874967 /nfs/dbraw/zinc/87/49/67/1101874967.db2.gz TWVIBJQOSNHQFK-MRXNPFEDSA-N 0 3 304.434 3.208 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)C(C)(C)F)c1ccccc1OC ZINC001198480756 1101885103 /nfs/dbraw/zinc/88/51/03/1101885103.db2.gz CJXLKAPSTDHRJH-HNNXBMFYSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CCC(C)C)c1ccccc1OC ZINC001198515651 1101904053 /nfs/dbraw/zinc/90/40/53/1101904053.db2.gz ONVROBHLGKVQKR-QGZVFWFLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCCC1CC1)c1ccccc1OC ZINC001198596373 1101920396 /nfs/dbraw/zinc/92/03/96/1101920396.db2.gz QMRVWAHKCABWKG-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCCCC)c1ccccc1OC ZINC001198595028 1101921170 /nfs/dbraw/zinc/92/11/70/1101921170.db2.gz GCBJFROCMWGMDV-INIZCTEOSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)/C(C)=C\CC)c1ccccc1OC ZINC001198584967 1101931335 /nfs/dbraw/zinc/93/13/35/1101931335.db2.gz OTGXRXUKPGIQKB-MJSCBBHESA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C=C1CCC1)c1ccccc1OC ZINC001198655600 1101943657 /nfs/dbraw/zinc/94/36/57/1101943657.db2.gz FKWHJHLKJVBIMK-QGZVFWFLSA-N 0 3 314.429 3.129 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C[C@H](C)CC)c1ccccc1OC ZINC001198696437 1101949179 /nfs/dbraw/zinc/94/91/79/1101949179.db2.gz ZFYICQMBUZHHLV-NVXWUHKLSA-N 0 3 318.461 3.454 20 30 DGEDHN C#CCCCC(=O)NC[C@H](NCCCC)c1ccccc1OC ZINC001198695245 1101949225 /nfs/dbraw/zinc/94/92/25/1101949225.db2.gz PBJRMDZZPJMBQQ-KRWDZBQOSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCC1CC1)c1ccccc1OC ZINC001198835139 1101990108 /nfs/dbraw/zinc/99/01/08/1101990108.db2.gz RMGJOLQSCNOVTA-INIZCTEOSA-N 0 3 316.445 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1OC ZINC001198843628 1102011166 /nfs/dbraw/zinc/01/11/66/1102011166.db2.gz UXTTXMQCARFIGB-WBVHZDCISA-N 0 3 322.424 3.012 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCCC)c2ccccc2OC)C1 ZINC001198894473 1102012377 /nfs/dbraw/zinc/01/23/77/1102012377.db2.gz IZFZUTSFCGPZNW-MRXNPFEDSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](NCCCF)c1ccccc1OC ZINC001198875914 1102017672 /nfs/dbraw/zinc/01/76/72/1102017672.db2.gz LNSNVLBCVRGHGG-MRXNPFEDSA-N 0 3 322.424 3.158 20 30 DGEDHN C=CCCCC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198875678 1102018188 /nfs/dbraw/zinc/01/81/88/1102018188.db2.gz GEVKFZUSQAVSSR-INIZCTEOSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](NCC(C)C)c1ccccc1OC ZINC001198876565 1102018667 /nfs/dbraw/zinc/01/86/67/1102018667.db2.gz UFJZSVFVPFCKOG-QGZVFWFLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1OC ZINC001198924719 1102026041 /nfs/dbraw/zinc/02/60/41/1102026041.db2.gz MSVSLCJYWOFSHW-DOTOQJQBSA-N 0 3 318.461 3.310 20 30 DGEDHN C#Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001242293881 1102035526 /nfs/dbraw/zinc/03/55/26/1102035526.db2.gz RPXXUYKYDRORSY-HNNXBMFYSA-N 0 3 319.364 3.074 20 30 DGEDHN CCCCCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199334865 1102118234 /nfs/dbraw/zinc/11/82/34/1102118234.db2.gz LFMOANMNRRLQIG-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199895390 1102231664 /nfs/dbraw/zinc/23/16/64/1102231664.db2.gz PAFBSIMHEQAPKA-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](CC)C(C)(C)C)C2 ZINC001273847831 1102376124 /nfs/dbraw/zinc/37/61/24/1102376124.db2.gz DLHIASNJDSJQSN-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN O=C1C=C2CN(C(=S)Nc3cccc(Cl)c3)CCC2S1 ZINC001201098691 1102485559 /nfs/dbraw/zinc/48/55/59/1102485559.db2.gz VMPXXDSKWOYJOJ-GFCCVEGCSA-N 0 3 324.858 3.311 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CC(C)C)CC2 ZINC001201470370 1102595594 /nfs/dbraw/zinc/59/55/94/1102595594.db2.gz HAUMPXWNSLKJQK-UHFFFAOYSA-N 0 3 303.450 3.010 20 30 DGEDHN CCCCCCCCCN1CC2(C1)CCOC[C@@H]2C(=O)OC ZINC001201852498 1102736210 /nfs/dbraw/zinc/73/62/10/1102736210.db2.gz AGUPBRQBDOCOTE-MRXNPFEDSA-N 0 3 311.466 3.249 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3ccccc3OCC#N)c2)CC1 ZINC001243585783 1102828531 /nfs/dbraw/zinc/82/85/31/1102828531.db2.gz IGQRHTZXONWRSY-UHFFFAOYSA-N 0 3 323.396 3.124 20 30 DGEDHN C[NH+](C)CCOc1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001243751529 1102959222 /nfs/dbraw/zinc/95/92/22/1102959222.db2.gz XWSOCMQWEMPJQT-XDHOZWIPSA-N 0 3 302.349 3.241 20 30 DGEDHN O=C(Nc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001202373561 1102965831 /nfs/dbraw/zinc/96/58/31/1102965831.db2.gz OMHSBBKMJPGXMT-LBPRGKRZSA-N 0 3 308.790 3.146 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001488646221 1103084067 /nfs/dbraw/zinc/08/40/67/1103084067.db2.gz AWWNZZXXTDKZAD-INIZCTEOSA-N 0 3 304.434 3.481 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCCCC1)C2 ZINC001095737863 1103122716 /nfs/dbraw/zinc/12/27/16/1103122716.db2.gz KVEDEFMDYMUMIB-SQNIBIBYSA-N 0 3 302.462 3.092 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(Cl)c1)C2 ZINC001095765802 1103136975 /nfs/dbraw/zinc/13/69/75/1103136975.db2.gz WKWKICKIGZFVMG-IKGGRYGDSA-N 0 3 316.832 3.007 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H]2OCCC[C@H]2C1 ZINC001325902227 1103158187 /nfs/dbraw/zinc/15/81/87/1103158187.db2.gz FCFZCADAUBENBZ-WMLDXEAASA-N 0 3 319.832 3.353 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001325957380 1103171786 /nfs/dbraw/zinc/17/17/86/1103171786.db2.gz YUBDFYHWNVAAJP-OKZBNKHCSA-N 0 3 318.505 3.395 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001111314600 1103205465 /nfs/dbraw/zinc/20/54/65/1103205465.db2.gz ITAZZURIIHAFMZ-KURKYZTESA-N 0 3 324.509 3.231 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccn1 ZINC001488988140 1103234237 /nfs/dbraw/zinc/23/42/37/1103234237.db2.gz OIWPQZUUJSUZSB-BBRMVZONSA-N 0 3 321.852 3.055 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CCCCC1)C2 ZINC001111359299 1103245383 /nfs/dbraw/zinc/24/53/83/1103245383.db2.gz VOEUTAKBSKYPKO-QRVBRYPASA-N 0 3 316.489 3.482 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)/C=C\c2ccc[nH]2)CCCCC1 ZINC001115503150 1103286558 /nfs/dbraw/zinc/28/65/58/1103286558.db2.gz BBDXHHCRSVAVBG-FPLPWBNLSA-N 0 3 321.852 3.189 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001326458534 1103324840 /nfs/dbraw/zinc/32/48/40/1103324840.db2.gz PKLLAWYJDRWNLR-TXPKVOOTSA-N 0 3 312.457 3.357 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCc2ccco2)cc1 ZINC001326489592 1103338583 /nfs/dbraw/zinc/33/85/83/1103338583.db2.gz ATKQMONCQJZRKD-INIZCTEOSA-N 0 3 324.424 3.203 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)Cc2ccccc2C)[C@H]1C ZINC001489302208 1103346913 /nfs/dbraw/zinc/34/69/13/1103346913.db2.gz ZCLWLNOSYFYFGA-LMMKCTJWSA-N 0 3 314.473 3.329 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](C)CC(C)(C)C)C2)CC1 ZINC001326598259 1103381086 /nfs/dbraw/zinc/38/10/86/1103381086.db2.gz HXZXNROMNXKWLL-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C(CC(C)C)CC(C)C)C2)CC1 ZINC001326604946 1103382901 /nfs/dbraw/zinc/38/29/01/1103382901.db2.gz ZIXIAMRMHPXGMX-UHFFFAOYSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114748759 1103422981 /nfs/dbraw/zinc/42/29/81/1103422981.db2.gz URHABXMVGCSXMN-WKCGWZECSA-N 0 3 316.420 3.289 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1nc(C(C)(C)C)cs1 ZINC001326784609 1103441469 /nfs/dbraw/zinc/44/14/69/1103441469.db2.gz WWBIWRSTPDCWBC-NEPJUHHUSA-N 0 3 322.478 3.029 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001276333109 1103505889 /nfs/dbraw/zinc/50/58/89/1103505889.db2.gz DTYJWKPEMQGDDI-ROUUACIJSA-N 0 3 322.493 3.129 20 30 DGEDHN N#Cc1ccc(F)c(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001244556671 1103519277 /nfs/dbraw/zinc/51/92/77/1103519277.db2.gz LVVUSHWMVZESDK-LJQANCHMSA-N 0 3 321.355 3.278 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3cc(C#N)ccc3F)cn2)CC1 ZINC001244556552 1103519440 /nfs/dbraw/zinc/51/94/40/1103519440.db2.gz FLUDGKQNKQTKNT-UHFFFAOYSA-N 0 3 324.403 3.290 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc2c1CCCC2)C1CC1 ZINC001490374625 1103583228 /nfs/dbraw/zinc/58/32/28/1103583228.db2.gz NSECHQUBPPAQHB-UHFFFAOYSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001490449425 1103609131 /nfs/dbraw/zinc/60/91/31/1103609131.db2.gz QYKSVSLAEQHECQ-HKUYNNGSSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)CC1CCCC1 ZINC001114925488 1103641338 /nfs/dbraw/zinc/64/13/38/1103641338.db2.gz VFFHLBSCTQIRPM-BDXSIMOUSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001490594612 1103672104 /nfs/dbraw/zinc/67/21/04/1103672104.db2.gz HEEIZZGVGBAMPI-BMWLXYDHSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CCC)CC(C)C)C2 ZINC001327542564 1103678536 /nfs/dbraw/zinc/67/85/36/1103678536.db2.gz WYQQXAFIAZBNOG-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccccc2OC)CC1 ZINC001490623575 1103683819 /nfs/dbraw/zinc/68/38/19/1103683819.db2.gz QLFWRIMCEZKFAD-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2c(C)nsc2C)CC1 ZINC001490622956 1103684129 /nfs/dbraw/zinc/68/41/29/1103684129.db2.gz GGYSSIGFNVLOEI-UHFFFAOYSA-N 0 3 321.490 3.263 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C)OCC ZINC001110616268 1103711442 /nfs/dbraw/zinc/71/14/42/1103711442.db2.gz ARTOXWGSFKEYKR-ZJPYXAASSA-N 0 3 320.477 3.045 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC001327721934 1103715642 /nfs/dbraw/zinc/71/56/42/1103715642.db2.gz OYHMJZMFSUGWRO-LJQANCHMSA-N 0 3 311.429 3.266 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)C2 ZINC001096084115 1103754175 /nfs/dbraw/zinc/75/41/75/1103754175.db2.gz RBJDPYOFLLEFNL-YSHGAJCASA-N 0 3 312.457 3.396 20 30 DGEDHN CCc1cc(-c2cc(CN(C)CCOC)ccn2)ccc1C#N ZINC001244951916 1103777876 /nfs/dbraw/zinc/77/78/76/1103777876.db2.gz JVPNZCFWNIBLSC-UHFFFAOYSA-N 0 3 309.413 3.261 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCc3ccccc31)C2 ZINC001096204489 1103784174 /nfs/dbraw/zinc/78/41/74/1103784174.db2.gz HSOMPPMKQWRIOB-HNJRGHQBSA-N 0 3 324.468 3.404 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCC=C3)C2 ZINC001096366107 1103812278 /nfs/dbraw/zinc/81/22/78/1103812278.db2.gz WZOUZRFNBNSHIZ-AABGKKOBSA-N 0 3 320.436 3.004 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3o1)C2 ZINC001096485110 1103849058 /nfs/dbraw/zinc/84/90/58/1103849058.db2.gz IUDYXDUCGAXZGK-PMPSAXMXSA-N 0 3 310.397 3.344 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114328979 1103858125 /nfs/dbraw/zinc/85/81/25/1103858125.db2.gz SMOHKRVOFQTJFP-COMLJPOISA-N 0 3 324.468 3.349 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC(C)C)C2 ZINC001096638160 1103892225 /nfs/dbraw/zinc/89/22/25/1103892225.db2.gz UFQLDPAAJPGUJN-HOJAQTOUSA-N 0 3 324.468 3.244 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1nc(C)sc1C ZINC001328343634 1103917172 /nfs/dbraw/zinc/91/71/72/1103917172.db2.gz JJGYDZZEVNMZDE-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN CN(CCC(=O)c1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137120424 1103994535 /nfs/dbraw/zinc/99/45/35/1103994535.db2.gz MBTDLTCODZHEMU-UHFFFAOYSA-N 0 3 308.381 3.294 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C(\C)C2CC2)C12CCC2 ZINC001202574524 1104063196 /nfs/dbraw/zinc/06/31/96/1104063196.db2.gz QIQRIRJUROMBCZ-LMSYVIICSA-N 0 3 308.853 3.112 20 30 DGEDHN Cc1cccc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)c1 ZINC001328977420 1104111949 /nfs/dbraw/zinc/11/19/49/1104111949.db2.gz IUENIFJAXLNBNG-MSOLQXFVSA-N 0 3 320.436 3.143 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001328997856 1104119269 /nfs/dbraw/zinc/11/92/69/1104119269.db2.gz SKDWJVWHUBVDAW-CABCVRRESA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001329048972 1104136760 /nfs/dbraw/zinc/13/67/60/1104136760.db2.gz NUXGMBSNHPIPAM-QZTJIDSGSA-N 0 3 324.468 3.289 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNCc1ocnc1C ZINC001329291784 1104213820 /nfs/dbraw/zinc/21/38/20/1104213820.db2.gz YAVCMOWMNNCWBQ-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN COc1ccc(Cl)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001137261189 1104301981 /nfs/dbraw/zinc/30/19/81/1104301981.db2.gz BPPQTYQJLYPFCK-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1sc(C)nc1C ZINC001274393441 1104370384 /nfs/dbraw/zinc/37/03/84/1104370384.db2.gz JZLZZMBPJMPSKO-FPLPWBNLSA-N 0 3 321.490 3.124 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)C(C)C ZINC001329874950 1104403987 /nfs/dbraw/zinc/40/39/87/1104403987.db2.gz IIPARTLAHBGUCJ-SFHVURJKSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001278434919 1104428331 /nfs/dbraw/zinc/42/83/31/1104428331.db2.gz YOGKVZZIJKSNKZ-YLJYHZDGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001329974111 1104442328 /nfs/dbraw/zinc/44/23/28/1104442328.db2.gz YVCNHDXOHWRCRF-ZDUSSCGKSA-N 0 3 306.475 3.268 20 30 DGEDHN C[C@@H](CCNC(=O)C1(C)CCCC1)NCc1ccccc1C#N ZINC001274755764 1104480319 /nfs/dbraw/zinc/48/03/19/1104480319.db2.gz PZERSNKXEDSOBE-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2ncc(C)s2)CCC1 ZINC001274780373 1104487468 /nfs/dbraw/zinc/48/74/68/1104487468.db2.gz ZQJRQALSDQKNPR-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCC(=O)N[C@H]1CN(CCCc2ccsc2)CC1(C)C ZINC001330182880 1104500179 /nfs/dbraw/zinc/50/01/79/1104500179.db2.gz FNVSYVTVLNRGGA-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001275064624 1104603431 /nfs/dbraw/zinc/60/34/31/1104603431.db2.gz MCFJXTNSTTUCNI-HNNXBMFYSA-N 0 3 320.864 3.222 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](CC)C(C)(C)C)CCC[C@@H]12 ZINC001278466140 1104677682 /nfs/dbraw/zinc/67/76/82/1104677682.db2.gz GURBRGHCDPTYKR-FRQCXROJSA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001275463864 1104767250 /nfs/dbraw/zinc/76/72/50/1104767250.db2.gz ZSUXQVMBGXSJTA-OLZOCXBDSA-N 0 3 319.474 3.205 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C2CCC2)cc1)NC(=O)C#CC1CC1 ZINC001275551323 1104803647 /nfs/dbraw/zinc/80/36/47/1104803647.db2.gz GXOICPKANFFJMG-MRXNPFEDSA-N 0 3 324.468 3.304 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001275621489 1104834441 /nfs/dbraw/zinc/83/44/41/1104834441.db2.gz GYUZOPARDNUQPN-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)Cc2ccc(F)cc2)C1 ZINC001275647944 1104847031 /nfs/dbraw/zinc/84/70/31/1104847031.db2.gz FLTLGDZKLWHFBF-AWEZNQCLSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1c(CC)oc2ccccc21 ZINC001275727923 1104882589 /nfs/dbraw/zinc/88/25/89/1104882589.db2.gz ARSPCDZHQNGPGW-CYBMUJFWSA-N 0 3 300.402 3.231 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1nccs1 ZINC001275789920 1104909079 /nfs/dbraw/zinc/90/90/79/1104909079.db2.gz DYTYMVPQKHRCRT-CABCVRRESA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001275849423 1104932193 /nfs/dbraw/zinc/93/21/93/1104932193.db2.gz DOZQBOLZQROICK-CQSZACIVSA-N 0 3 306.425 3.116 20 30 DGEDHN C=CCCNC(=S)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001247636262 1104946346 /nfs/dbraw/zinc/94/63/46/1104946346.db2.gz MVZDMDDPFOMYIW-QGZVFWFLSA-N 0 3 317.502 3.033 20 30 DGEDHN C[C@@H](CNC(=O)CCCC1CC1)N(C)Cc1ccc(C#N)cc1 ZINC001275904793 1104949025 /nfs/dbraw/zinc/94/90/25/1104949025.db2.gz NXTAJEWUWGFJPL-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCCCN1C[C@@H]2CN(C[C@@H](CC)CCCC)C[C@H](C1)O2 ZINC001275975387 1104975410 /nfs/dbraw/zinc/97/54/10/1104975410.db2.gz AUTRIRTWQZSJKU-GBESFXJTSA-N 0 3 306.494 3.001 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001280777570 1104986198 /nfs/dbraw/zinc/98/61/98/1104986198.db2.gz SXLYAZANIQBZLD-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCCCCN1CC2(C1)CN(Cc1cccc(=O)[nH]1)C2 ZINC001276041105 1105003329 /nfs/dbraw/zinc/00/33/29/1105003329.db2.gz GPIRVHKWUIKWMM-UHFFFAOYSA-N 0 3 315.461 3.041 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(CCC)cc1 ZINC001276195085 1105044400 /nfs/dbraw/zinc/04/44/00/1105044400.db2.gz FHVHRJLZWIEIED-UHFFFAOYSA-N 0 3 308.853 3.443 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C2 ZINC001095616301 1105091286 /nfs/dbraw/zinc/09/12/86/1105091286.db2.gz ABCVWDRPMFMGNR-ALYAQQCSSA-N 0 3 316.470 3.149 20 30 DGEDHN C=CCC1(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CCCC1 ZINC001248675315 1105143973 /nfs/dbraw/zinc/14/39/73/1105143973.db2.gz TWLXJCYAWWMXKI-OAHLLOKOSA-N 0 3 307.482 3.295 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@H](Oc2cccnc2)C1 ZINC001248751513 1105155580 /nfs/dbraw/zinc/15/55/80/1105155580.db2.gz YTFMKFPBTVKSHA-IBGZPJMESA-N 0 3 307.397 3.169 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001248752982 1105156344 /nfs/dbraw/zinc/15/63/44/1105156344.db2.gz KMFIMBPDRXNJNZ-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccc4n3CCC4)C2)cc1 ZINC001248825335 1105171631 /nfs/dbraw/zinc/17/16/31/1105171631.db2.gz ZQTLJUKUHXOKHW-FQEVSTJZSA-N 0 3 321.424 3.349 20 30 DGEDHN N#Cc1ccn2ncc(CN3CC[C@H](c4cccc(F)c4)C3)c2c1 ZINC001249113253 1105228132 /nfs/dbraw/zinc/22/81/32/1105228132.db2.gz GGPWRLFWBIHDCP-INIZCTEOSA-N 0 3 320.371 3.335 20 30 DGEDHN CCOC(=O)c1ccc2c(CN3CCC(C#N)CC3)c[nH]c2c1 ZINC001249131914 1105230720 /nfs/dbraw/zinc/23/07/20/1105230720.db2.gz UHGCOSUMSJYJCA-UHFFFAOYSA-N 0 3 311.385 3.080 20 30 DGEDHN C=CC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CCCCC1 ZINC001249217787 1105248194 /nfs/dbraw/zinc/24/81/94/1105248194.db2.gz RNMZUWXLKUZTRM-UHFFFAOYSA-N 0 3 317.429 3.428 20 30 DGEDHN C=CC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CCCCC1 ZINC001249217787 1105248200 /nfs/dbraw/zinc/24/82/00/1105248200.db2.gz RNMZUWXLKUZTRM-UHFFFAOYSA-N 0 3 317.429 3.428 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc4c3CCCC4)no2)CCCN1 ZINC001249352175 1105272367 /nfs/dbraw/zinc/27/23/67/1105272367.db2.gz WNVHLJMQIMZETA-LJQANCHMSA-N 0 3 307.397 3.217 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc4ccc(C)nc43)no2)CCCN1 ZINC001249352064 1105272644 /nfs/dbraw/zinc/27/26/44/1105272644.db2.gz UKVSGSFSTRRKAX-LJQANCHMSA-N 0 3 318.380 3.195 20 30 DGEDHN N#Cc1c(F)ccc(NC2=CC[C@@H](N3CCOCC3)CC2)c1F ZINC001249558110 1105313437 /nfs/dbraw/zinc/31/34/37/1105313437.db2.gz GSCWXMFUMCEOMW-CYBMUJFWSA-N 0 3 319.355 3.017 20 30 DGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1cccc(C#N)c1F)C2 ZINC001249681310 1105352873 /nfs/dbraw/zinc/35/28/73/1105352873.db2.gz WQVIEUICNZJYPA-AEFFLSMTSA-N 0 3 302.393 3.336 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(C#N)cc1 ZINC001249713020 1105363739 /nfs/dbraw/zinc/36/37/39/1105363739.db2.gz YFMLDMOWSUODMC-UHFFFAOYSA-N 0 3 306.413 3.362 20 30 DGEDHN N#Cc1coc(CN[C@@H]2Cc3ccc(Br)cc3C2)c1 ZINC001254277378 1105369874 /nfs/dbraw/zinc/36/98/74/1105369874.db2.gz WQGGPSQKQQCTMD-CQSZACIVSA-N 0 3 317.186 3.171 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C(F)F)cc1C)C2 ZINC001097262125 1105376735 /nfs/dbraw/zinc/37/67/35/1105376735.db2.gz XPBQXIGRHFQQBD-UPJWGTAASA-N 0 3 324.371 3.437 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C(C)(C)C)C2 ZINC001097291482 1105379957 /nfs/dbraw/zinc/37/99/57/1105379957.db2.gz ZYWZZWRTBJDLPX-LZQZEXGQSA-N 0 3 324.468 3.343 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3ccccc31)C2 ZINC001097336676 1105380821 /nfs/dbraw/zinc/38/08/21/1105380821.db2.gz LZHNYBUIRRROQS-MDNKFWRPSA-N 0 3 324.468 3.404 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(F)F)C2 ZINC001097581388 1105410013 /nfs/dbraw/zinc/41/00/13/1105410013.db2.gz YPNFNIXBSBPXTC-TUVASFSCSA-N 0 3 312.404 3.110 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@H](C)CC)no1)C2 ZINC001097992086 1105492649 /nfs/dbraw/zinc/49/26/49/1105492649.db2.gz NCMBEZQRRUOVHO-XOUADPBQSA-N 0 3 317.433 3.099 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2oc(C)nc2C)C1 ZINC001278563548 1105505177 /nfs/dbraw/zinc/50/51/77/1105505177.db2.gz AJEYRCJSGAOEJH-HOTGVXAUSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001278563549 1105505448 /nfs/dbraw/zinc/50/54/48/1105505448.db2.gz AJEYRCJSGAOEJH-HZPDHXFCSA-N 0 3 319.449 3.022 20 30 DGEDHN CN1CCN(C2(c3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1 ZINC001250586713 1105541658 /nfs/dbraw/zinc/54/16/58/1105541658.db2.gz QIPOQJOFFAAGFE-UHFFFAOYSA-N 0 3 317.436 3.462 20 30 DGEDHN CCCC1(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001490918702 1105557981 /nfs/dbraw/zinc/55/79/81/1105557981.db2.gz RNGVAUOGNFLGET-WGSAOQKQSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1OC)C2 ZINC001098256645 1105564012 /nfs/dbraw/zinc/56/40/12/1105564012.db2.gz BHZRGGTULVFWDA-MCIONIFRSA-N 0 3 320.458 3.058 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC(C)C)cc1)C2 ZINC001098357626 1105572326 /nfs/dbraw/zinc/57/23/26/1105572326.db2.gz DYPOTDUPKPTFIB-AQNXPRMDSA-N 0 3 324.468 3.244 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ccoc1 ZINC001099013047 1105627755 /nfs/dbraw/zinc/62/77/55/1105627755.db2.gz REJQJUPPSNYKNX-MRXNPFEDSA-N 0 3 304.434 3.005 20 30 DGEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)cs2)C1 ZINC001099063225 1105636974 /nfs/dbraw/zinc/63/69/74/1105636974.db2.gz ULZOGAJFOYVPHV-LRDDRELGSA-N 0 3 322.861 3.009 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001099081473 1105640511 /nfs/dbraw/zinc/64/05/11/1105640511.db2.gz VIQDPIDIQPQGLN-YJBOKZPZSA-N 0 3 320.383 3.395 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@](C)(C=C)CCOC ZINC001099159125 1105651767 /nfs/dbraw/zinc/65/17/67/1105651767.db2.gz PAXOHWHYCYFMKK-QFBILLFUSA-N 0 3 322.493 3.008 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001099178819 1105653981 /nfs/dbraw/zinc/65/39/81/1105653981.db2.gz YNLWNYAOSVVGKT-KKSFZXQISA-N 0 3 324.468 3.254 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)c1ccco1 ZINC001099228947 1105659359 /nfs/dbraw/zinc/65/93/59/1105659359.db2.gz DVNGTUFJZAKUAB-HOTGVXAUSA-N 0 3 316.445 3.013 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257375 1105662305 /nfs/dbraw/zinc/66/23/05/1105662305.db2.gz DXWZZDHVNWPYMM-SJORKVTESA-N 0 3 324.509 3.088 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001099302343 1105666034 /nfs/dbraw/zinc/66/60/34/1105666034.db2.gz RANIFNHYKSJEDX-UMVBOHGHSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001099316260 1105667391 /nfs/dbraw/zinc/66/73/91/1105667391.db2.gz PENPWUZYAVGSBU-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(CC)CC)C[C@H]1C(F)(F)F ZINC001099346130 1105670620 /nfs/dbraw/zinc/67/06/20/1105670620.db2.gz INMXGNDOEBTDFO-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC(C)C ZINC001099411089 1105677572 /nfs/dbraw/zinc/67/75/72/1105677572.db2.gz UBMSWMYQAPXIJA-YVSFHVDLSA-N 0 3 324.896 3.344 20 30 DGEDHN CCCC(=O)NC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001278641179 1105724236 /nfs/dbraw/zinc/72/42/36/1105724236.db2.gz BMGSQYRWMXCWGF-LJQANCHMSA-N 0 3 313.445 3.077 20 30 DGEDHN CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001490993812 1105733295 /nfs/dbraw/zinc/73/32/95/1105733295.db2.gz AAAVLVVJNKDIAB-GASCZTMLSA-N 0 3 304.434 3.213 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001491042107 1105740399 /nfs/dbraw/zinc/74/03/99/1105740399.db2.gz MQGHWLFKXSOJDY-OKILXGFUSA-N 0 3 321.490 3.099 20 30 DGEDHN CC(C)(O)CN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001252356257 1105771513 /nfs/dbraw/zinc/77/15/13/1105771513.db2.gz VITHWKGRJOHMRK-UHFFFAOYSA-N 0 3 319.408 3.203 20 30 DGEDHN C=CCC[C@@H](O)CNCc1ccc(Br)cc1F ZINC001252588904 1105798402 /nfs/dbraw/zinc/79/84/02/1105798402.db2.gz GNJGHXBOHWFGDX-GFCCVEGCSA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001278667434 1105781067 /nfs/dbraw/zinc/78/10/67/1105781067.db2.gz DXQFOJVGQNKFIT-IBGZPJMESA-N 0 3 315.461 3.223 20 30 DGEDHN C=CCOC[C@@H](O)CNCc1ccccc1Oc1ccccc1 ZINC001252481695 1105783365 /nfs/dbraw/zinc/78/33/65/1105783365.db2.gz FSMLXZDQMAZSFQ-KRWDZBQOSA-N 0 3 313.397 3.132 20 30 DGEDHN C=CCOC[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC001252484297 1105783692 /nfs/dbraw/zinc/78/36/92/1105783692.db2.gz BFNGKKYVKNUOEU-PWSUYJOCSA-N 0 3 304.217 3.208 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)NC[C@H](O)COCCCC ZINC001252533666 1105790846 /nfs/dbraw/zinc/79/08/46/1105790846.db2.gz HGPYYJLEPJFUPY-CVEARBPZSA-N 0 3 307.434 3.080 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001491287951 1105799307 /nfs/dbraw/zinc/79/93/07/1105799307.db2.gz QJXIRIBTCHLYOB-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC001252600145 1105799972 /nfs/dbraw/zinc/79/99/72/1105799972.db2.gz YAIHMNOCGRJPFX-HNNXBMFYSA-N 0 3 323.383 3.187 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cncn1Cc1ccccc1Cl ZINC001252621663 1105806562 /nfs/dbraw/zinc/80/65/62/1105806562.db2.gz FUXJZXZCIDUSAV-MRXNPFEDSA-N 0 3 319.836 3.002 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC001491410681 1105821707 /nfs/dbraw/zinc/82/17/07/1105821707.db2.gz MNDAQIGLIXVLQS-BLLLJJGKSA-N 0 3 310.388 3.476 20 30 DGEDHN C[C@@H](N[C@@H](C)CNC(=O)C#CC(C)(C)C)c1ccc(F)c(F)c1 ZINC001491452964 1105828492 /nfs/dbraw/zinc/82/84/92/1105828492.db2.gz SYWKKNNJDBJFEJ-QWHCGFSZSA-N 0 3 322.399 3.170 20 30 DGEDHN COC[C@@H](O)CN(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001252818835 1105836671 /nfs/dbraw/zinc/83/66/71/1105836671.db2.gz JKSIFFWQYKOTPZ-UZLBHIALSA-N 0 3 324.424 3.129 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001101079012 1105883506 /nfs/dbraw/zinc/88/35/06/1105883506.db2.gz IHYYETZKGDPCOQ-UHFFFAOYSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001101254219 1105904478 /nfs/dbraw/zinc/90/44/78/1105904478.db2.gz GIZQOQQTSMCBCB-HIFRSBDPSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001101254408 1105904586 /nfs/dbraw/zinc/90/45/86/1105904586.db2.gz QBBNDKSMJDACGR-AEFFLSMTSA-N 0 3 318.486 3.385 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H](CO)c1ccccc1OC ZINC001253254646 1105912774 /nfs/dbraw/zinc/91/27/74/1105912774.db2.gz REGYQBXNYGRUSQ-SJLPKXTDSA-N 0 3 321.461 3.206 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCCCC)C[C@]2(C)C1 ZINC001101471554 1105920838 /nfs/dbraw/zinc/92/08/38/1105920838.db2.gz XDUPOYYKFCZRPV-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1C ZINC001101805577 1105979859 /nfs/dbraw/zinc/97/98/59/1105979859.db2.gz UYRVASFAIVCOLZ-GDBMZVCRSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102000225 1106007536 /nfs/dbraw/zinc/00/75/36/1106007536.db2.gz GEZAHWKQDIGESO-ZFAUCMQBSA-N 0 3 319.276 3.202 20 30 DGEDHN C#CC1CCN([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254283820 1106050615 /nfs/dbraw/zinc/05/06/15/1106050615.db2.gz AJIZXXRAFUUZIF-MRXNPFEDSA-N 0 3 304.231 3.262 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254370126 1106060966 /nfs/dbraw/zinc/06/09/66/1106060966.db2.gz YTFXDSMNTUUGAQ-KRWDZBQOSA-N 0 3 315.461 3.305 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C=C(\C)C2CC2)C1 ZINC001102722649 1106100194 /nfs/dbraw/zinc/10/01/94/1106100194.db2.gz UILLTQYNZOXKNQ-VJNRTPOASA-N 0 3 310.869 3.169 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cncn2Cc2cccc(Cl)c2)C1 ZINC001254649933 1106122548 /nfs/dbraw/zinc/12/25/48/1106122548.db2.gz WMXAXRNDOKMJIL-XJKSGUPXSA-N 0 3 314.820 3.367 20 30 DGEDHN CC1(COc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2F)COC1 ZINC001254658653 1106125001 /nfs/dbraw/zinc/12/50/01/1106125001.db2.gz WSXNLSONRZDDRJ-DZGCQCFKSA-N 0 3 318.392 3.023 20 30 DGEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254660995 1106126437 /nfs/dbraw/zinc/12/64/37/1106126437.db2.gz NYMPTZNYSJLACD-ZNMIVQPWSA-N 0 3 307.438 3.010 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CN([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC001254660338 1106126548 /nfs/dbraw/zinc/12/65/48/1106126548.db2.gz XHOXXDGMTKDDMX-GJZGRUSLSA-N 0 3 319.449 3.012 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254668559 1106128838 /nfs/dbraw/zinc/12/88/38/1106128838.db2.gz IYJLKILWOIMLKG-HOCLYGCPSA-N 0 3 321.465 3.400 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001254673958 1106130602 /nfs/dbraw/zinc/13/06/02/1106130602.db2.gz RTONQEVPCCAYHJ-GJZGRUSLSA-N 0 3 322.412 3.165 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001254673313 1106130979 /nfs/dbraw/zinc/13/09/79/1106130979.db2.gz IRKPPWKELVZGGX-IMFGXOCKSA-N 0 3 309.457 3.374 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001254675755 1106131997 /nfs/dbraw/zinc/13/19/97/1106131997.db2.gz GNLYDEDQHAXVLD-GJZGRUSLSA-N 0 3 322.412 3.165 20 30 DGEDHN 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CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C/c1ccc[nH]1 ZINC001318195584 1107893962 /nfs/dbraw/zinc/89/39/62/1107893962.db2.gz FYKAEYFYZQGAIB-VCVRMXLYSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1C ZINC001318228604 1107907700 /nfs/dbraw/zinc/90/77/00/1107907700.db2.gz OHKMTNQVQHJVGL-SQNIBIBYSA-N 0 3 312.457 3.350 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001323276159 1107912039 /nfs/dbraw/zinc/91/20/39/1107912039.db2.gz DUJWPAIQXXSDRE-GDBMZVCRSA-N 0 3 304.409 3.293 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001318248524 1107913996 /nfs/dbraw/zinc/91/39/96/1107913996.db2.gz UGGVWKSSBZJYEL-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001318283413 1107929026 /nfs/dbraw/zinc/92/90/26/1107929026.db2.gz AEUCAZQLAIOARY-HNNXBMFYSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC001323372274 1107956890 /nfs/dbraw/zinc/95/68/90/1107956890.db2.gz UBFDLRDSARLUDG-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001318362793 1107959697 /nfs/dbraw/zinc/95/96/97/1107959697.db2.gz FJGYKPNOLALXSJ-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCCCCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001323424116 1107971062 /nfs/dbraw/zinc/97/10/62/1107971062.db2.gz PEONVBPKZOYZTM-OAHLLOKOSA-N 0 3 316.420 3.319 20 30 DGEDHN CCCCCCCN1CC[C@H](N(C)C(=O)c2cncs2)C1 ZINC001318385938 1107972711 /nfs/dbraw/zinc/97/27/11/1107972711.db2.gz AOERAPOHIKONLS-AWEZNQCLSA-N 0 3 309.479 3.260 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2ccc(C(F)F)cc2)CC1 ZINC001323437008 1107974494 /nfs/dbraw/zinc/97/44/94/1107974494.db2.gz ASRJTOAUKZYJBD-UHFFFAOYSA-N 0 3 320.383 3.022 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(C)C(=O)c2scnc2C)C1 ZINC001318387829 1107975292 /nfs/dbraw/zinc/97/52/92/1107975292.db2.gz JKDKQWJMFOVDOS-OAHLLOKOSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H]1CCCCN1CCC ZINC001318405029 1107985341 /nfs/dbraw/zinc/98/53/41/1107985341.db2.gz YGXSASBNSASQQZ-QGZVFWFLSA-N 0 3 316.445 3.132 20 30 DGEDHN CCC[C@](C)(NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC001263246227 1107987997 /nfs/dbraw/zinc/98/79/97/1107987997.db2.gz JUJMILHTGXMRFR-AEFFLSMTSA-N 0 3 301.434 3.229 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001318415024 1107988990 /nfs/dbraw/zinc/98/89/90/1107988990.db2.gz HPAXDBXTEANXGQ-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CC(C)(C)CC(F)F)C1 ZINC001318479946 1108042025 /nfs/dbraw/zinc/04/20/25/1108042025.db2.gz SZDXFISYLDOPQM-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001318484366 1108043964 /nfs/dbraw/zinc/04/39/64/1108043964.db2.gz JRPHHLPUUCNDLG-ROUUACIJSA-N 0 3 312.457 3.215 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001263616442 1108111878 /nfs/dbraw/zinc/11/18/78/1108111878.db2.gz WSKKETJYQPVTDS-ZBCRRDGASA-N 0 3 311.360 3.412 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(C)cc1 ZINC001263616966 1108112082 /nfs/dbraw/zinc/11/20/82/1108112082.db2.gz PCVIXVQSXGHAJH-HNNXBMFYSA-N 0 3 309.369 3.051 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(OC)cc(Cl)c1F ZINC001263617071 1108112455 /nfs/dbraw/zinc/11/24/55/1108112455.db2.gz TUEXHPYQYGGEQW-LLVKDONJSA-N 0 3 321.739 3.194 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CC(C)C)CCCC[C@@H]1C ZINC001318740224 1108175446 /nfs/dbraw/zinc/17/54/46/1108175446.db2.gz FSQAROTXTPDRPR-XJKSGUPXSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001318720377 1108167077 /nfs/dbraw/zinc/16/70/77/1108167077.db2.gz SBNHMWVEUKQYSW-ZMSDIMECSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CCNCc2conc2C)C1 ZINC001318827336 1108207387 /nfs/dbraw/zinc/20/73/87/1108207387.db2.gz PPYRGXCGRSLUOA-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001263817398 1108229142 /nfs/dbraw/zinc/22/91/42/1108229142.db2.gz UZXFUPIUBKNXAI-GJZGRUSLSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001263827748 1108239674 /nfs/dbraw/zinc/23/96/74/1108239674.db2.gz OCAOHVOKZHXOPQ-JNSHFYNHSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001318968435 1108258249 /nfs/dbraw/zinc/25/82/49/1108258249.db2.gz DCRAMXJGTWMMSN-IIDMSEBBSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H](CCC)C(C)C)cc1 ZINC001319000293 1108270177 /nfs/dbraw/zinc/27/01/77/1108270177.db2.gz MQPRDAAJFCAQMN-SFHVURJKSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001263876640 1108277771 /nfs/dbraw/zinc/27/77/71/1108277771.db2.gz LGQHTWOEHJEPNB-QEJZJMRPSA-N 0 3 300.874 3.296 20 30 DGEDHN O=C(CC1CC1)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001324452866 1108294638 /nfs/dbraw/zinc/29/46/38/1108294638.db2.gz XZCSDHXWYVXLJP-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCCCCC)C2)CC1 ZINC001263937243 1108302302 /nfs/dbraw/zinc/30/23/02/1108302302.db2.gz WWXVJMNWKQPQSH-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)[C@@H]1C ZINC001264134263 1108393398 /nfs/dbraw/zinc/39/33/98/1108393398.db2.gz GCOUGZWAMWJKCJ-CJNGLKHVSA-N 0 3 306.475 3.410 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001324669797 1108414611 /nfs/dbraw/zinc/41/46/11/1108414611.db2.gz REYSZQDNTNZTPV-QGZVFWFLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCCC(=O)N1CCc2sc(CNCCCC)nc2C1 ZINC001264189792 1108424884 /nfs/dbraw/zinc/42/48/84/1108424884.db2.gz KJJWHMFFZOSDJX-UHFFFAOYSA-N 0 3 321.490 3.274 20 30 DGEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)[C@H](C)CC)C2 ZINC001264188320 1108424896 /nfs/dbraw/zinc/42/48/96/1108424896.db2.gz DDZBSPMOPLIITM-CYBMUJFWSA-N 0 3 321.490 3.130 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)s1 ZINC001319447860 1108472636 /nfs/dbraw/zinc/47/26/36/1108472636.db2.gz FFCJXEOIHVOZCT-GFCCVEGCSA-N 0 3 312.866 3.142 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001324887406 1108494967 /nfs/dbraw/zinc/49/49/67/1108494967.db2.gz WROZLHMNNYRFNB-MRXNPFEDSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001319514230 1108501374 /nfs/dbraw/zinc/50/13/74/1108501374.db2.gz JDVVPFONTGVVRU-ZIAGYGMSSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001264415884 1108519650 /nfs/dbraw/zinc/51/96/50/1108519650.db2.gz HIGWXVAVPAPCHQ-JCNLHEQBSA-N 0 3 315.461 3.156 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccsc2)C1 ZINC001324945163 1108527002 /nfs/dbraw/zinc/52/70/02/1108527002.db2.gz WSBBOZGISYKJPD-KRWDZBQOSA-N 0 3 306.475 3.085 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2cccs2)C1 ZINC001324960761 1108536184 /nfs/dbraw/zinc/53/61/84/1108536184.db2.gz JVYUYXVJDSVVJH-PBHICJAKSA-N 0 3 306.475 3.256 20 30 DGEDHN C#CCCCC(=O)N1CC2(C[C@H]1C)CCN(C/C=C\Cl)CC2 ZINC001264495468 1108552014 /nfs/dbraw/zinc/55/20/14/1108552014.db2.gz IVUUFGBCYFQKLN-CXSQMQJXSA-N 0 3 322.880 3.245 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)CCC)C2)CC1 ZINC001264495141 1108552727 /nfs/dbraw/zinc/55/27/27/1108552727.db2.gz BSVFZRNQLLUHRD-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)CCC)C2)CC1 ZINC001264495140 1108553146 /nfs/dbraw/zinc/55/31/46/1108553146.db2.gz BSVFZRNQLLUHRD-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)C)C(C)(C)[C@@H]21 ZINC001264587050 1108581262 /nfs/dbraw/zinc/58/12/62/1108581262.db2.gz XFXUWPYWZDKJRO-KBAYOESNSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC(C)C ZINC001264586947 1108581585 /nfs/dbraw/zinc/58/15/85/1108581585.db2.gz VZFFYSDYEQCBNY-NZSAHSFTSA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC1CCC1 ZINC001264587211 1108581780 /nfs/dbraw/zinc/58/17/80/1108581780.db2.gz YRSCZHVHVKRWNH-NZSAHSFTSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H](C)C1 ZINC001319688274 1108594984 /nfs/dbraw/zinc/59/49/84/1108594984.db2.gz BABYCOYUTDNAHV-ZUTSKAEESA-N 0 3 319.276 3.488 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1[C@H](C)CC[C@H]1C ZINC001325232890 1108603042 /nfs/dbraw/zinc/60/30/42/1108603042.db2.gz VIJHWTVCJHLABL-RBSFLKMASA-N 0 3 317.408 3.334 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@H](C)SC ZINC001319740769 1108618492 /nfs/dbraw/zinc/61/84/92/1108618492.db2.gz KHNYFZORHKYPHH-KBPBESRZSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001319741266 1108618652 /nfs/dbraw/zinc/61/86/52/1108618652.db2.gz MLFLYLHRMLKPSM-WCVJEAGWSA-N 0 3 310.869 3.146 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@@H](CNC(=O)[C@H](C)C#N)C(C)C ZINC001319907226 1108690483 /nfs/dbraw/zinc/69/04/83/1108690483.db2.gz RIOZEIDHQAKZFC-CJNGLKHVSA-N 0 3 321.852 3.039 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001265016740 1108698222 /nfs/dbraw/zinc/69/82/22/1108698222.db2.gz HXPIFXWADMXAJP-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H](C)C(F)(F)F)C(C)C ZINC001319943698 1108705789 /nfs/dbraw/zinc/70/57/89/1108705789.db2.gz KWPDQDMKNDPBQD-ONGXEEELSA-N 0 3 314.779 3.058 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)cc(C)c1)C(C)C ZINC001319957934 1108715052 /nfs/dbraw/zinc/71/50/52/1108715052.db2.gz UAMJCJQWEWURCC-INIZCTEOSA-N 0 3 308.853 3.400 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001265089155 1108728672 /nfs/dbraw/zinc/72/86/72/1108728672.db2.gz KCCFKWKSJLAEBG-ZFWWWQNUSA-N 0 3 310.825 3.313 20 30 DGEDHN CCN(CCCNC(=O)C(C)(C)CC)Cc1ccc(C#N)s1 ZINC001265131248 1108742797 /nfs/dbraw/zinc/74/27/97/1108742797.db2.gz SEARPJKDHNHZIM-UHFFFAOYSA-N 0 3 321.490 3.384 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001265204001 1108774607 /nfs/dbraw/zinc/77/46/07/1108774607.db2.gz STDYEZKOMMYKMT-HNNXBMFYSA-N 0 3 307.438 3.148 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC001265205432 1108775498 /nfs/dbraw/zinc/77/54/98/1108775498.db2.gz IYEWXWJIBALSAV-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001265280423 1108803166 /nfs/dbraw/zinc/80/31/66/1108803166.db2.gz BDZPYNOUXXCKAU-IBGZPJMESA-N 0 3 310.441 3.058 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001265282876 1108804614 /nfs/dbraw/zinc/80/46/14/1108804614.db2.gz ZTFDYNJZZLKVDV-SFHVURJKSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001265306201 1108816763 /nfs/dbraw/zinc/81/67/63/1108816763.db2.gz LCOFKAVTRBRSOV-SJLPKXTDSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccco1 ZINC001265411187 1108866573 /nfs/dbraw/zinc/86/65/73/1108866573.db2.gz FCBGBRWQPZHXRB-TWMKSMIVSA-N 0 3 316.445 3.413 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCC(C)C ZINC001265416291 1108867694 /nfs/dbraw/zinc/86/76/94/1108867694.db2.gz VDEKUULXSQLZNE-OKZBNKHCSA-N 0 3 322.493 3.079 20 30 DGEDHN CC1(C)CC[C@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001265493887 1108889399 /nfs/dbraw/zinc/88/93/99/1108889399.db2.gz GIVUVLPVRQFCOP-FHWLQOOXSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001265535718 1108903197 /nfs/dbraw/zinc/90/31/97/1108903197.db2.gz PJBYWSQYCKPELS-IYBDPMFKSA-N 0 3 318.848 3.270 20 30 DGEDHN CCc1ccccc1CN1CCCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001265645379 1108945991 /nfs/dbraw/zinc/94/59/91/1108945991.db2.gz NZHZZPNQRXAIFQ-HXUWFJFHSA-N 0 3 324.468 3.133 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001265648890 1108949351 /nfs/dbraw/zinc/94/93/51/1108949351.db2.gz IWYQTKIMDKKGFN-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001265649197 1108949525 /nfs/dbraw/zinc/94/95/25/1108949525.db2.gz OXXIZARIWWRCLV-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C[C@H]1CCCCO1 ZINC001265648887 1108949718 /nfs/dbraw/zinc/94/97/18/1108949718.db2.gz IWYQTKIMDKKGFN-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CC[C@H](C(=O)N1CCCC[C@@H]1CNCCF)c1ccccc1 ZINC001265691323 1108967391 /nfs/dbraw/zinc/96/73/91/1108967391.db2.gz IQTIALHMPWROBF-MSOLQXFVSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCC(NCc2conc2C)CC1 ZINC001265735541 1108985597 /nfs/dbraw/zinc/98/55/97/1108985597.db2.gz URSOROWWZKKZCO-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001265908132 1109039099 /nfs/dbraw/zinc/03/90/99/1109039099.db2.gz GHEYZFFNDIFUFJ-AWEZNQCLSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001265924710 1109043082 /nfs/dbraw/zinc/04/30/82/1109043082.db2.gz CTVWIPPZFLVFQN-HIFRSBDPSA-N 0 3 321.852 3.028 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(CCC)c(C)s1 ZINC001265968475 1109053728 /nfs/dbraw/zinc/05/37/28/1109053728.db2.gz AAZNIUOIAASXKH-UHFFFAOYSA-N 0 3 306.475 3.084 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccccn1 ZINC001266006655 1109062044 /nfs/dbraw/zinc/06/20/44/1109062044.db2.gz NNSVEGSGXMDQDK-FUHWJXTLSA-N 0 3 315.461 3.297 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001266006441 1109062207 /nfs/dbraw/zinc/06/22/07/1109062207.db2.gz LLVYWBGXSKCAEH-ZBFHGGJFSA-N 0 3 321.852 3.115 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC001266144747 1109107297 /nfs/dbraw/zinc/10/72/97/1109107297.db2.gz YYURMAWMTRPUEN-KGLIPLIRSA-N 0 3 322.399 3.170 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)C1CC1 ZINC001266164255 1109112082 /nfs/dbraw/zinc/11/20/82/1109112082.db2.gz KRRWXTLNVVRLKL-VQTJNVASSA-N 0 3 324.468 3.011 20 30 DGEDHN CC#CCN(CCCNC(=O)C12CCC(CC1)C2(C)C)C1CC1 ZINC001266164878 1109112448 /nfs/dbraw/zinc/11/24/48/1109112448.db2.gz WSPSLMZBASSPQL-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C1CCN(CCOCCCC)CC1 ZINC001266187690 1109120237 /nfs/dbraw/zinc/12/02/37/1109120237.db2.gz XQQVWMPXRCWTHE-UHFFFAOYSA-N 0 3 324.509 3.328 20 30 DGEDHN CC(C)C(=O)NCCC[C@@H]1CCCN1Cc1ccccc1C#N ZINC001266200701 1109125244 /nfs/dbraw/zinc/12/52/44/1109125244.db2.gz AIHMKRRVJNEKIB-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCc2ccccc2CC)C1 ZINC001266208578 1109128318 /nfs/dbraw/zinc/12/83/18/1109128318.db2.gz CQTUCLBRZCYWPC-IBGZPJMESA-N 0 3 314.473 3.338 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CC2(C)CCCCC2)CC1 ZINC001279146852 1109139424 /nfs/dbraw/zinc/13/94/24/1109139424.db2.gz RCOVOXZYPBLSPX-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001279164637 1109140125 /nfs/dbraw/zinc/14/01/25/1109140125.db2.gz UHWZPGKGOPIXAJ-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCCCCC)C[C@@H]2C1 ZINC001279409584 1109150390 /nfs/dbraw/zinc/15/03/90/1109150390.db2.gz DTQKJMOWXRDYPJ-HDICACEKSA-N 0 3 304.478 3.151 20 30 DGEDHN CC(C)=CCN1CC=C(CNC(=O)CC#Cc2ccccc2)CC1 ZINC001279687937 1109160247 /nfs/dbraw/zinc/16/02/47/1109160247.db2.gz TURHKJLQTBQNFZ-UHFFFAOYSA-N 0 3 322.452 3.143 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CCCc1ccc(Cl)cc1 ZINC001280831806 1109260660 /nfs/dbraw/zinc/26/06/60/1109260660.db2.gz HBJHEUWYNCTFJG-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCN1CC1CC(F)(F)C1 ZINC001316606641 1109262256 /nfs/dbraw/zinc/26/22/56/1109262256.db2.gz WZBBSAKNXJBJPI-ZBFHGGJFSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2nccs2)CC1 ZINC001281016108 1109290425 /nfs/dbraw/zinc/29/04/25/1109290425.db2.gz ICERKKNHNQUVIG-UHFFFAOYSA-N 0 3 321.490 3.360 20 30 DGEDHN CCC(=CC(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1)CC ZINC001281391813 1109344289 /nfs/dbraw/zinc/34/42/89/1109344289.db2.gz VIXZYMWKOSQGMU-PXNSSMCTSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC2(c3ccccc3)CC2)C[C@@H]1C ZINC001281666581 1109392268 /nfs/dbraw/zinc/39/22/68/1109392268.db2.gz ZXQXANMVGXKVLU-HKUYNNGSSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001281745044 1109403167 /nfs/dbraw/zinc/40/31/67/1109403167.db2.gz PJEKLUDAYQXELF-BLLLJJGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1(C)CCC1 ZINC001281776206 1109406675 /nfs/dbraw/zinc/40/66/75/1109406675.db2.gz JULMESJJGNMKNR-GOSISDBHSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2nc(C)ccc2c1 ZINC001281965184 1109423760 /nfs/dbraw/zinc/42/37/60/1109423760.db2.gz OWVGCELMIWRMKP-SFHVURJKSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1Cc2c1cccc2Cl ZINC001281967530 1109424304 /nfs/dbraw/zinc/42/43/04/1109424304.db2.gz HWRWSWWRRKLOIY-CZUORRHYSA-N 0 3 318.848 3.089 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CC(CNCc2nc(C)cs2)C1 ZINC001282052850 1109437779 /nfs/dbraw/zinc/43/77/79/1109437779.db2.gz KRUCNHNJQYMRHM-KVULBXGLSA-N 0 3 321.490 3.038 20 30 DGEDHN CCCCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282226800 1109471555 /nfs/dbraw/zinc/47/15/55/1109471555.db2.gz FKNDQFFCTAPXLE-QZTJIDSGSA-N 0 3 314.473 3.491 20 30 DGEDHN C=C(C)CCC(=O)N(C)CC(C)(C)CNCc1nccs1 ZINC001282306594 1109481561 /nfs/dbraw/zinc/48/15/61/1109481561.db2.gz JVOCPOVVFCDBJY-UHFFFAOYSA-N 0 3 309.479 3.074 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001282365116 1109493875 /nfs/dbraw/zinc/49/38/75/1109493875.db2.gz VKPUZTMGJSKNGX-CHWSQXEVSA-N 0 3 310.388 3.429 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001282388599 1109500269 /nfs/dbraw/zinc/50/02/69/1109500269.db2.gz IYQKHNZUKCBRQX-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)[C@@H](C)c1cccc(OC)c1 ZINC001282444428 1109510967 /nfs/dbraw/zinc/51/09/67/1109510967.db2.gz QSEGFKOVSVYQHH-CABCVRRESA-N 0 3 318.461 3.405 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001282666524 1109548437 /nfs/dbraw/zinc/54/84/37/1109548437.db2.gz RMCKPFVABYDGEG-MSOLQXFVSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2C2CC2)C1 ZINC001283066925 1109590567 /nfs/dbraw/zinc/59/05/67/1109590567.db2.gz JMUJWZQZGLERED-DZUCGIPZSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001283061696 1109590594 /nfs/dbraw/zinc/59/05/94/1109590594.db2.gz GYJGOYAATJEJFV-QAQDUYKDSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001283068628 1109591150 /nfs/dbraw/zinc/59/11/50/1109591150.db2.gz WYBMZOSMBIVRHA-CTYIDZIISA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)CC(C)(C)C ZINC001283128071 1109596852 /nfs/dbraw/zinc/59/68/52/1109596852.db2.gz VLNRCHZBANNXRK-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@@H](C)C(C)(C)C)NCC#Cc1ccccc1 ZINC001283633099 1109664147 /nfs/dbraw/zinc/66/41/47/1109664147.db2.gz WKTDPWLGNFWZQX-IAGOWNOFSA-N 0 3 314.473 3.157 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1OC ZINC001283653882 1109667709 /nfs/dbraw/zinc/66/77/09/1109667709.db2.gz RWCUTOVOPLAZEY-OAHLLOKOSA-N 0 3 318.461 3.152 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001283654721 1109667769 /nfs/dbraw/zinc/66/77/69/1109667769.db2.gz SLYQNCUDKMTQGM-CYBMUJFWSA-N 0 3 319.474 3.159 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001283845544 1109688941 /nfs/dbraw/zinc/68/89/41/1109688941.db2.gz IAWDJTCVVMASEB-CZUORRHYSA-N 0 3 319.474 3.135 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001283964913 1109706420 /nfs/dbraw/zinc/70/64/20/1109706420.db2.gz AETGJVOZKUDEHR-NVXWUHKLSA-N 0 3 324.424 3.315 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cc(F)ccc2F)[C@H]1C ZINC001284148640 1109749378 /nfs/dbraw/zinc/74/93/78/1109749378.db2.gz MWQQTNZEHWYUQK-DYVFJYSZSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1 ZINC001284333508 1109777717 /nfs/dbraw/zinc/77/77/17/1109777717.db2.gz VKGJTQPAOXOZQN-MRXNPFEDSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001284702278 1109844334 /nfs/dbraw/zinc/84/43/34/1109844334.db2.gz MBTMJINMHHTJBS-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C1CC(NCc2ncccc2C)C1 ZINC001284784455 1109859769 /nfs/dbraw/zinc/85/97/69/1109859769.db2.gz IPXSKEDGQNMKLR-UHFFFAOYSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001316636251 1109885884 /nfs/dbraw/zinc/88/58/84/1109885884.db2.gz XWDOHAQSZKIHGY-NNUKFRKNSA-N 0 3 322.399 3.161 20 30 DGEDHN CCCCCCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC001308058393 1111372344 /nfs/dbraw/zinc/37/23/44/1111372344.db2.gz VYXCHIRLWPWGHH-UHFFFAOYSA-N 0 3 300.450 3.436 20 30 DGEDHN C=CCC[C@H]1CCCN1Cc1csc(-c2ccn(C)n2)n1 ZINC001308137682 1111383479 /nfs/dbraw/zinc/38/34/79/1111383479.db2.gz TUCPONVJIAWEFQ-AWEZNQCLSA-N 0 3 302.447 3.474 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CCN(Cc2ccccc2)CC1 ZINC001308559329 1111443980 /nfs/dbraw/zinc/44/39/80/1111443980.db2.gz BOAZDACVLMEHIK-UHFFFAOYSA-N 0 3 319.452 3.493 20 30 DGEDHN C#Cc1ccc(CN2CCN(C)C[C@@H]2Cc2ccccc2)cc1 ZINC001308851861 1111484948 /nfs/dbraw/zinc/48/49/48/1111484948.db2.gz YJUMEFWITQNQHN-NRFANRHFSA-N 0 3 304.437 3.027 20 30 DGEDHN CSC1(CN2CCN(c3ccc(F)cc3C#N)CC2)CCC1 ZINC001308905999 1111491053 /nfs/dbraw/zinc/49/10/53/1111491053.db2.gz MMBJSOJCMRGECV-UHFFFAOYSA-N 0 3 319.449 3.105 20 30 DGEDHN COc1cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)ccc1C#N ZINC001308938127 1111496660 /nfs/dbraw/zinc/49/66/60/1111496660.db2.gz HUKDFIAIZACEPT-AZUAARDMSA-N 0 3 304.393 3.340 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001312641756 1111664386 /nfs/dbraw/zinc/66/43/86/1111664386.db2.gz MJILVCYKFMGEMA-JKSUJKDBSA-N 0 3 307.482 3.105 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001316718696 1111736658 /nfs/dbraw/zinc/73/66/58/1111736658.db2.gz BLAIZHPCQMEUDT-PFMYXXNMSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(C[C@@H](F)CC)C[C@H]2C1 ZINC001316756258 1111759582 /nfs/dbraw/zinc/75/95/82/1111759582.db2.gz XJUBZLFVFQQOMY-SQNIBIBYSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)c(F)c1F ZINC001316804316 1111772665 /nfs/dbraw/zinc/77/26/65/1111772665.db2.gz FRHFTAPDGVHTDX-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC(C2CC2)C2CC2)CC(C)(C)C1 ZINC001316811321 1111776050 /nfs/dbraw/zinc/77/60/50/1111776050.db2.gz MCLRLMZWKIQYTA-QGZVFWFLSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1O ZINC001316871970 1111786289 /nfs/dbraw/zinc/78/62/89/1111786289.db2.gz IADLKPFPESMPON-HIFRSBDPSA-N 0 3 322.836 3.118 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1O ZINC001316871971 1111786725 /nfs/dbraw/zinc/78/67/25/1111786725.db2.gz IADLKPFPESMPON-UKRRQHHQSA-N 0 3 322.836 3.118 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(C[C@@H]1CCCCC1(F)F)C2 ZINC001620643196 1193785736 /nfs/dbraw/zinc/78/57/36/1193785736.db2.gz YUWPMPQLKIHQDM-JTQLQIEISA-N 0 3 311.401 3.386 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(CCc2ccc(F)cc2)CC1 ZINC000184082831 529448166 /nfs/dbraw/zinc/44/81/66/529448166.db2.gz GSQWCSPTCSBEAZ-KRWDZBQOSA-N 0 3 303.425 3.114 20 30 DGEDHN CCc1c(C(=O)NC2CCN(C)CC2)cnn1C(CC)CC ZINC000331071491 529470040 /nfs/dbraw/zinc/47/00/40/529470040.db2.gz JAZHHEWLNPBTCW-UHFFFAOYSA-N 0 3 306.454 3.205 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353105714 529488532 /nfs/dbraw/zinc/48/85/32/529488532.db2.gz BUZBCSYYAREHRE-KXBFYZLASA-N 0 3 313.445 3.268 20 30 DGEDHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442889142 529696551 /nfs/dbraw/zinc/69/65/51/529696551.db2.gz JDFCPXBJPKFLCI-IBGZPJMESA-N 0 3 324.424 3.340 20 30 DGEDHN C[C@H](NCc1ccnc(N2CCCC2)c1)c1cccc(C#N)c1 ZINC000181459236 199300155 /nfs/dbraw/zinc/30/01/55/199300155.db2.gz NLQBQLGFUKXQRC-HNNXBMFYSA-N 0 3 306.413 3.404 20 30 DGEDHN CCc1nc(CCNCc2ccc(C#N)c(OC)c2)sc1C ZINC000440804574 529734855 /nfs/dbraw/zinc/73/48/55/529734855.db2.gz CMXVJSUGJZTESG-UHFFFAOYSA-N 0 3 315.442 3.227 20 30 DGEDHN CN(CCSc1ncc(C#N)cc1F)Cc1ccccc1 ZINC000413266618 529929264 /nfs/dbraw/zinc/92/92/64/529929264.db2.gz MKLVFAFDWQFIKL-UHFFFAOYSA-N 0 3 301.390 3.316 20 30 DGEDHN COc1ccccc1C(C)(C)NCCOc1cccc(C#N)c1 ZINC000103483779 432010719 /nfs/dbraw/zinc/01/07/19/432010719.db2.gz PBAZNZCFHUOTND-UHFFFAOYSA-N 0 3 310.397 3.471 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000103482025 432011269 /nfs/dbraw/zinc/01/12/69/432011269.db2.gz FCSMUTOJXGTPHK-CYBMUJFWSA-N 0 3 321.852 3.173 20 30 DGEDHN CNCc1ccccc1NC(=O)N(CCC#N)CCC(C)C ZINC000415914848 530009842 /nfs/dbraw/zinc/00/98/42/530009842.db2.gz XFFGXYVDWXIVOC-UHFFFAOYSA-N 0 3 302.422 3.200 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@H](COC)OC)cc1 ZINC000272707060 210111156 /nfs/dbraw/zinc/11/11/56/210111156.db2.gz UNWPEXSISRZVKZ-XJKSGUPXSA-N 0 3 313.825 3.130 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000066393672 432015550 /nfs/dbraw/zinc/01/55/50/432015550.db2.gz OVHAMPIZKIYGAX-GFCCVEGCSA-N 0 3 314.216 3.014 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cccc(C#N)c2)C1 ZINC000066473427 432016394 /nfs/dbraw/zinc/01/63/94/432016394.db2.gz BNWNPTFCXBZUKN-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104701491 432017055 /nfs/dbraw/zinc/01/70/55/432017055.db2.gz HNUQOWAOFHNCFL-RBUKOAKNSA-N 0 3 313.445 3.172 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000106040803 432020624 /nfs/dbraw/zinc/02/06/24/432020624.db2.gz KRXRYPPYMUHMIN-UHFFFAOYSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175636322 186183258 /nfs/dbraw/zinc/18/32/58/186183258.db2.gz CGWQIEZQXXZLOB-LZLYRXPVSA-N 0 3 315.461 3.303 20 30 DGEDHN CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181865162 186212148 /nfs/dbraw/zinc/21/21/48/186212148.db2.gz WDIXPPZOYAYIPK-OYSHDIIGSA-N 0 3 304.459 3.289 20 30 DGEDHN COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000181911843 186218111 /nfs/dbraw/zinc/21/81/11/186218111.db2.gz KUPXEFMXFPZNRO-AUUYWEPGSA-N 0 3 310.397 3.341 20 30 DGEDHN CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CC1 ZINC000072950187 191255040 /nfs/dbraw/zinc/25/50/40/191255040.db2.gz DWQXRRNUOSJIKB-UHFFFAOYSA-N 0 3 305.809 3.272 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)c1ccccc1Cl ZINC000174242133 198309669 /nfs/dbraw/zinc/30/96/69/198309669.db2.gz OGENMXKVCORPER-MRXNPFEDSA-N 0 3 303.793 3.197 20 30 DGEDHN N#CC1(CCCN2CCS[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000374099984 283044221 /nfs/dbraw/zinc/04/42/21/283044221.db2.gz QJTMDRRXHQMUPZ-HOTGVXAUSA-N 0 3 308.491 3.447 20 30 DGEDHN N#CC1(CCN2CCC(O[C@@H]3CCOC3)CC2)CCCCC1 ZINC000411338713 283045143 /nfs/dbraw/zinc/04/51/43/283045143.db2.gz XJFKCNSDCZNSNB-QGZVFWFLSA-N 0 3 306.450 3.120 20 30 DGEDHN N#CCSCCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347335101 283053837 /nfs/dbraw/zinc/05/38/37/283053837.db2.gz JHEKJRKIKUMZGR-LSDHHAIUSA-N 0 3 322.499 3.134 20 30 DGEDHN N#CCc1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000352923183 283054982 /nfs/dbraw/zinc/05/49/82/283054982.db2.gz VJXAANCJOIODJN-OAHLLOKOSA-N 0 3 312.335 3.032 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC3(CC2)OCCc2ccsc23)C1 ZINC000339078556 283067443 /nfs/dbraw/zinc/06/74/43/283067443.db2.gz FRRGKNKPSDKAIJ-ZFWWWQNUSA-N 0 3 302.443 3.304 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134868226 283098609 /nfs/dbraw/zinc/09/86/09/283098609.db2.gz UMBDTMHMOZEOST-DNVCBOLYSA-N 0 3 313.420 3.146 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](N2CCCC2)C1 ZINC000301284597 283136093 /nfs/dbraw/zinc/13/60/93/283136093.db2.gz LGNYRLXGGNYFRU-CYBMUJFWSA-N 0 3 324.350 3.037 20 30 DGEDHN C[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CN1C1CC1 ZINC000133532611 432066383 /nfs/dbraw/zinc/06/63/83/432066383.db2.gz LLSPRBDRPMTOAN-GXSJLCMTSA-N 0 3 310.323 3.009 20 30 DGEDHN N#Cc1ccc([C@H](N[C@@H]2CCC[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000134005584 432073148 /nfs/dbraw/zinc/07/31/48/432073148.db2.gz HNYKMNXJEFXFCK-OTWHNJEPSA-N 0 3 319.408 3.011 20 30 DGEDHN C#CCOc1ccc(CN(C)Cc2ccc(O)c(OC)c2)cc1 ZINC000179944216 199096744 /nfs/dbraw/zinc/09/67/44/199096744.db2.gz IDTNFVJRTDAFLT-UHFFFAOYSA-N 0 3 311.381 3.045 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)o1 ZINC000180364136 199150521 /nfs/dbraw/zinc/15/05/21/199150521.db2.gz UCFVOZRADJQQBM-LLVKDONJSA-N 0 3 319.767 3.312 20 30 DGEDHN C[C@H]1C[C@H]1N1CCN(c2c(Cl)cccc2C#N)C[C@@H](C)C1 ZINC000488718333 291158213 /nfs/dbraw/zinc/15/82/13/291158213.db2.gz VLCCGIZOADOPPZ-HEHGZKQESA-N 0 3 303.837 3.378 20 30 DGEDHN Cc1n[nH]cc1[C@@H](C)NCCSCc1ccccc1C#N ZINC000180274134 432082666 /nfs/dbraw/zinc/08/26/66/432082666.db2.gz YVIXVMZAQHBUAV-GFCCVEGCSA-N 0 3 300.431 3.174 20 30 DGEDHN CCCC(=O)NC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666052 200141784 /nfs/dbraw/zinc/14/17/84/200141784.db2.gz CIUVFYYQAUPIAK-RDJZCZTQSA-N 0 3 313.445 3.248 20 30 DGEDHN C=CCSCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189151357 200356543 /nfs/dbraw/zinc/35/65/43/200356543.db2.gz INZRYERWVMIFOY-UHFFFAOYSA-N 0 3 305.422 3.079 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000170949100 432088303 /nfs/dbraw/zinc/08/83/03/432088303.db2.gz UUOICZSSTAHUOS-DLBZAZTESA-N 0 3 318.848 3.210 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428778474 238031298 /nfs/dbraw/zinc/03/12/98/238031298.db2.gz AEIZAEKDIPNQLB-QAPCUYQASA-N 0 3 307.397 3.476 20 30 DGEDHN N#CCC1(CNCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000430064149 238065260 /nfs/dbraw/zinc/06/52/60/238065260.db2.gz GOWNRCPYSHQVQZ-UHFFFAOYSA-N 0 3 306.793 3.285 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccncc1)C1CC1 ZINC000433305420 238154710 /nfs/dbraw/zinc/15/47/10/238154710.db2.gz NOYAQLFXCMHOON-GOSISDBHSA-N 0 3 319.408 3.345 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCOCc1ccccc1 ZINC000433373259 238157917 /nfs/dbraw/zinc/15/79/17/238157917.db2.gz JRJRDDINRDAHQZ-LJQANCHMSA-N 0 3 322.408 3.092 20 30 DGEDHN C[C@@H](O)[C@@](C)(CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000191709867 200748379 /nfs/dbraw/zinc/74/83/79/200748379.db2.gz PERMAQGIZKBKIX-RDTXWAMCSA-N 0 3 314.454 3.339 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccs1 ZINC000194565755 201252158 /nfs/dbraw/zinc/25/21/58/201252158.db2.gz XUCCPMXJUAXVJW-HOCLYGCPSA-N 0 3 316.426 3.100 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccs1 ZINC000194565804 201252216 /nfs/dbraw/zinc/25/22/16/201252216.db2.gz XUCCPMXJUAXVJW-GDBMZVCRSA-N 0 3 316.426 3.100 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000442861182 239139146 /nfs/dbraw/zinc/13/91/46/239139146.db2.gz MLDKSSKEEHBLPV-SKDRFNHKSA-N 0 3 313.279 3.395 20 30 DGEDHN COCCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443960271 239242757 /nfs/dbraw/zinc/24/27/57/239242757.db2.gz DANBUJGOEVVWGO-UHFFFAOYSA-N 0 3 310.397 3.182 20 30 DGEDHN COc1cccc(N2CC[C@@H](N[C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000271852825 209267297 /nfs/dbraw/zinc/26/72/97/209267297.db2.gz IWSCLSWHFILTNZ-MAUKXSAKSA-N 0 3 321.424 3.496 20 30 DGEDHN Cc1cc(CNc2cccc(OCCN(C)C)c2)ccc1C#N ZINC000444000513 239250819 /nfs/dbraw/zinc/25/08/19/239250819.db2.gz FDNXEOWTFOSEAY-UHFFFAOYSA-N 0 3 309.413 3.419 20 30 DGEDHN COc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1C#N ZINC000135180817 432104582 /nfs/dbraw/zinc/10/45/82/432104582.db2.gz CWYIOZKYQDYBBK-GOSISDBHSA-N 0 3 307.397 3.253 20 30 DGEDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000135215702 432105231 /nfs/dbraw/zinc/10/52/31/432105231.db2.gz XRCYFHXGEGKCHD-LJQANCHMSA-N 0 3 324.424 3.340 20 30 DGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(C)c1 ZINC000449504690 240254257 /nfs/dbraw/zinc/25/42/57/240254257.db2.gz AJTKQHTVZGZHFY-SJORKVTESA-N 0 3 300.402 3.078 20 30 DGEDHN C=CCC[C@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000449699427 240375931 /nfs/dbraw/zinc/37/59/31/240375931.db2.gz QOKMQCRTZAHBKD-MRXNPFEDSA-N 0 3 319.836 3.251 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(Cl)c1 ZINC000451487112 241141914 /nfs/dbraw/zinc/14/19/14/241141914.db2.gz GCHWZWVYCCJATD-FVQBIDKESA-N 0 3 302.805 3.259 20 30 DGEDHN C=CCC1(C(=O)NCC2(SC)CCN(C)CC2)CCCCC1 ZINC000451848843 241253223 /nfs/dbraw/zinc/25/32/23/241253223.db2.gz KBOHVNCVPFDDLJ-UHFFFAOYSA-N 0 3 324.534 3.457 20 30 DGEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000451845424 241253811 /nfs/dbraw/zinc/25/38/11/241253811.db2.gz PVQZZIVOPYWPAF-CYBMUJFWSA-N 0 3 323.387 3.076 20 30 DGEDHN N#Cc1cccc(OCCN2CCC[C@]3(CCSC3)C2)c1 ZINC000451968170 241287469 /nfs/dbraw/zinc/28/74/69/241287469.db2.gz SLRUWCAWZMUINI-KRWDZBQOSA-N 0 3 302.443 3.156 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCC1CC1 ZINC000135279965 432110913 /nfs/dbraw/zinc/11/09/13/432110913.db2.gz ZZGRIWALWNAAJF-NSHDSACASA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C2=CCCC2)CC1 ZINC000454533408 241973383 /nfs/dbraw/zinc/97/33/83/241973383.db2.gz CWTAWPHAVLZILV-UHFFFAOYSA-N 0 3 305.466 3.073 20 30 DGEDHN C=C(C)CN(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000455336331 242171964 /nfs/dbraw/zinc/17/19/64/242171964.db2.gz PTJIZOOWIKKNEO-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCSC3(CCCCC3)C2)cc1 ZINC000268633001 432113353 /nfs/dbraw/zinc/11/33/53/432113353.db2.gz QGNCQZNJNNKLNB-KRWDZBQOSA-N 0 3 316.470 3.343 20 30 DGEDHN N#Cc1cccc(C2(NCCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271763425 209191447 /nfs/dbraw/zinc/19/14/47/209191447.db2.gz IIFMQNCSGULDJN-UHFFFAOYSA-N 0 3 323.352 3.124 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000455697186 242268337 /nfs/dbraw/zinc/26/83/37/242268337.db2.gz DIJJPYATIGMPNS-DGCLKSJQSA-N 0 3 320.824 3.010 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456244553 242387441 /nfs/dbraw/zinc/38/74/41/242387441.db2.gz GKLFQFSOLCINPD-OTWHNJEPSA-N 0 3 308.425 3.406 20 30 DGEDHN C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000093234479 284010211 /nfs/dbraw/zinc/01/02/11/284010211.db2.gz NZEPNTCDYBOUQH-LBPRGKRZSA-N 0 3 314.414 3.036 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458292730 243022018 /nfs/dbraw/zinc/02/20/18/243022018.db2.gz OGJSSBLPOFXQSS-QGZVFWFLSA-N 0 3 308.397 3.307 20 30 DGEDHN C=C(C)CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000458376303 243043317 /nfs/dbraw/zinc/04/33/17/243043317.db2.gz QGPDEHFIPGJFBT-HNNXBMFYSA-N 0 3 303.450 3.381 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268660238 432117133 /nfs/dbraw/zinc/11/71/33/432117133.db2.gz ICSPWKJCBUMJSL-HXUWFJFHSA-N 0 3 306.409 3.322 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458890253 243189934 /nfs/dbraw/zinc/18/99/34/243189934.db2.gz JUVFMSGJSCCIDG-MRXNPFEDSA-N 0 3 321.490 3.229 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000268671926 432117532 /nfs/dbraw/zinc/11/75/32/432117532.db2.gz KKNVLZHSQIIICH-VQIMIIECSA-N 0 3 310.372 3.220 20 30 DGEDHN C=C(C)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459009227 243226118 /nfs/dbraw/zinc/22/61/18/243226118.db2.gz VHGNDQVLHRLKTO-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCOCCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000470719500 244183951 /nfs/dbraw/zinc/18/39/51/244183951.db2.gz HWGKGXSUQGJQSO-UHFFFAOYSA-N 0 3 301.430 3.482 20 30 DGEDHN C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000472271522 244294105 /nfs/dbraw/zinc/29/41/05/244294105.db2.gz CKMYHNNPAOCSDT-LLVKDONJSA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000472231158 244291605 /nfs/dbraw/zinc/29/16/05/244291605.db2.gz RBLKCWAWZAJWOA-JZXOWHBKSA-N 0 3 300.446 3.193 20 30 DGEDHN CC(C)C1CCC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000120953599 284183452 /nfs/dbraw/zinc/18/34/52/284183452.db2.gz PKDDZXGIWCLOIJ-HTWSVDAQSA-N 0 3 313.445 3.137 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCC[C@@H]1C ZINC000487950349 245127375 /nfs/dbraw/zinc/12/73/75/245127375.db2.gz GRMLCCOFNSIVGV-WMLDXEAASA-N 0 3 302.418 3.204 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2ccc(Br)cc2C#N)CN1C1CC1 ZINC000123034393 284230687 /nfs/dbraw/zinc/23/06/87/284230687.db2.gz SJNKQPRGLUIUIH-ZWNOBZJWSA-N 0 3 320.234 3.358 20 30 DGEDHN CC[C@H](NCc1cccc(C#N)c1)[C@H](O)c1c(F)cccc1F ZINC000266330136 205271218 /nfs/dbraw/zinc/27/12/18/205271218.db2.gz VKNSXOIUNVHUTH-WMZOPIPTSA-N 0 3 316.351 3.438 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)[C@@H]1CCCc2c1cnn2C ZINC000135595610 432129030 /nfs/dbraw/zinc/12/90/30/432129030.db2.gz FHGUCHIYMMGCRV-GOSISDBHSA-N 0 3 324.428 3.070 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190184014 432129476 /nfs/dbraw/zinc/12/94/76/432129476.db2.gz LPAXZYGZMOTORD-IEZWGBDMSA-N 0 3 312.457 3.478 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190184034 432130163 /nfs/dbraw/zinc/13/01/63/432130163.db2.gz LPAXZYGZMOTORD-SUMDDJOVSA-N 0 3 312.457 3.478 20 30 DGEDHN C[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000495218375 246248709 /nfs/dbraw/zinc/24/87/09/246248709.db2.gz BYAMXDCNBFUIGP-GFCCVEGCSA-N 0 3 321.396 3.263 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Cl)o1)C(C)C ZINC000496000609 246338705 /nfs/dbraw/zinc/33/87/05/246338705.db2.gz WXOQPYGYQNCNKP-ZDUSSCGKSA-N 0 3 310.825 3.361 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(F)c(F)c1)C(C)C ZINC000496013855 246342095 /nfs/dbraw/zinc/34/20/95/246342095.db2.gz KSHOUXHXRXHZQQ-QGZVFWFLSA-N 0 3 322.399 3.393 20 30 DGEDHN C#CC(C)(C)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000286308584 335034774 /nfs/dbraw/zinc/03/47/74/335034774.db2.gz VZXKTNQOPBZEEO-UHFFFAOYSA-N 0 3 313.357 3.136 20 30 DGEDHN COc1ccc(C[C@@H](C)CNCc2ccc(C#N)o2)cc1OC ZINC000136183663 432147441 /nfs/dbraw/zinc/14/74/41/432147441.db2.gz WJTCYRYTGUQXAM-CYBMUJFWSA-N 0 3 314.385 3.137 20 30 DGEDHN C[C@H](O)CN(Cc1cn2ccccc2c1C#N)C1CCCCC1 ZINC000104684088 194025762 /nfs/dbraw/zinc/02/57/62/194025762.db2.gz XTCCWMDYGWDAPU-HNNXBMFYSA-N 0 3 311.429 3.326 20 30 DGEDHN N#Cc1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000105483433 194106537 /nfs/dbraw/zinc/10/65/37/194106537.db2.gz UDBDMHKOQYZOGJ-UHFFFAOYSA-N 0 3 302.324 3.492 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000106488563 194219611 /nfs/dbraw/zinc/21/96/11/194219611.db2.gz IZIFEWGWBLFLKU-MRXNPFEDSA-N 0 3 313.351 3.205 20 30 DGEDHN CC(C)COCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285370530 218401374 /nfs/dbraw/zinc/40/13/74/218401374.db2.gz BYCLLRMMHKQHPM-UHFFFAOYSA-N 0 3 320.408 3.213 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000269052123 207200653 /nfs/dbraw/zinc/20/06/53/207200653.db2.gz SGCTWMRYZMWVJI-VQTJNVASSA-N 0 3 321.424 3.168 20 30 DGEDHN COCCCOc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000063914990 184290401 /nfs/dbraw/zinc/29/04/01/184290401.db2.gz XLMMDPJKINFMIA-UHFFFAOYSA-N 0 3 310.397 3.263 20 30 DGEDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330918199 533009203 /nfs/dbraw/zinc/00/92/03/533009203.db2.gz WXIGZJPFZDHZAK-GHMZBOCLSA-N 0 3 323.418 3.104 20 30 DGEDHN CCN(Cc1c[nH]c(C(=O)OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000119873046 195053183 /nfs/dbraw/zinc/05/31/83/195053183.db2.gz RZFJWEBZCKYOAS-CYBMUJFWSA-N 0 3 311.385 3.256 20 30 DGEDHN COc1ccccc1[C@H](CN[C@H]1CC[C@@H](C#N)C1)OC(C)C ZINC000442839884 533013698 /nfs/dbraw/zinc/01/36/98/533013698.db2.gz YTADYBQXPQNEIL-VKJFTORMSA-N 0 3 302.418 3.443 20 30 DGEDHN COc1cccc([C@@H](CNc2cccc(C#N)n2)N2CCCC2)c1 ZINC000270033023 208087773 /nfs/dbraw/zinc/08/77/73/208087773.db2.gz HJXLNJRHHXIMTG-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccccc2)cc1 ZINC000336878433 253017567 /nfs/dbraw/zinc/01/75/67/253017567.db2.gz FICUDGFQMSVABK-QUCCMNQESA-N 0 3 322.408 3.135 20 30 DGEDHN C=C[C@H](CC(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000270288428 208361855 /nfs/dbraw/zinc/36/18/55/208361855.db2.gz ABNUDILAIXIEER-IAGOWNOFSA-N 0 3 300.446 3.147 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000270288435 208362353 /nfs/dbraw/zinc/36/23/53/208362353.db2.gz ABNUDILAIXIEER-SJORKVTESA-N 0 3 300.446 3.147 20 30 DGEDHN COCC1(C#N)CCN(CCCCCOc2ccccc2)CC1 ZINC000342835507 533111243 /nfs/dbraw/zinc/11/12/43/533111243.db2.gz HBEXJPJIFSPCSZ-UHFFFAOYSA-N 0 3 316.445 3.488 20 30 DGEDHN Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000343465700 254147511 /nfs/dbraw/zinc/14/75/11/254147511.db2.gz JFEVLTAJEDUDTK-YOEHRIQHSA-N 0 3 312.388 3.260 20 30 DGEDHN Cc1cc(C#N)nc(N[C@H](C)[C@H](c2ccccc2C)N(C)C)n1 ZINC000343802846 254190906 /nfs/dbraw/zinc/19/09/06/254190906.db2.gz FMXSGUFDRCVRRE-RHSMWYFYSA-N 0 3 309.417 3.068 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OC1CCCC1 ZINC000345813521 533127000 /nfs/dbraw/zinc/12/70/00/533127000.db2.gz JTURPIRIVVDRRN-STQMWFEESA-N 0 3 316.401 3.353 20 30 DGEDHN CN(C)c1ccccc1CN(C)CCOc1ccc(C#N)cc1 ZINC000344106670 254226274 /nfs/dbraw/zinc/22/62/74/254226274.db2.gz HKSUVMRYKNUQHU-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(F)c(F)c2F)c(F)c1 ZINC000344331651 254257998 /nfs/dbraw/zinc/25/79/98/254257998.db2.gz AXHQVKQSKFJMFL-UHFFFAOYSA-N 0 3 308.278 3.447 20 30 DGEDHN C[C@@]1(NCc2ccc(C#N)cc2OC(F)F)CCO[C@H]1C1CC1 ZINC000344379033 254264015 /nfs/dbraw/zinc/26/40/15/254264015.db2.gz DFWMABANQDYHOM-DOTOQJQBSA-N 0 3 322.355 3.207 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN[C@@H]2CCOC2)c1 ZINC000344893246 254314203 /nfs/dbraw/zinc/31/42/03/254314203.db2.gz TYCGAACFPPNOKZ-GOSISDBHSA-N 0 3 308.381 3.016 20 30 DGEDHN CC#CCCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156609871 197127163 /nfs/dbraw/zinc/12/71/63/197127163.db2.gz SLCLLPOQPIWYJM-HNNXBMFYSA-N 0 3 313.376 3.469 20 30 DGEDHN N#Cc1cccc(C2(NCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000271651759 209096970 /nfs/dbraw/zinc/09/69/70/209096970.db2.gz BGOWWCLVHXRPSE-UHFFFAOYSA-N 0 3 323.352 3.124 20 30 DGEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000120705631 195219890 /nfs/dbraw/zinc/21/98/90/195219890.db2.gz PGOZFJNHTIRVJG-GXTWGEPZSA-N 0 3 305.447 3.459 20 30 DGEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCC=CO3)CC2)c(F)c1 ZINC000289821518 221248458 /nfs/dbraw/zinc/24/84/58/221248458.db2.gz TYTAEJIMFFRIKD-INIZCTEOSA-N 0 3 316.376 3.233 20 30 DGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000430741199 533357492 /nfs/dbraw/zinc/35/74/92/533357492.db2.gz DEUJQPCRGLEGHN-CYBMUJFWSA-N 0 3 312.417 3.315 20 30 DGEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCCCO1 ZINC000346676066 533455993 /nfs/dbraw/zinc/45/59/93/533455993.db2.gz PIFOBPHPCLBXAS-CRAIPNDOSA-N 0 3 302.418 3.416 20 30 DGEDHN COc1cccc(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433218181 533464308 /nfs/dbraw/zinc/46/43/08/533464308.db2.gz HUEDTWJTYOQJOE-SFHVURJKSA-N 0 3 322.408 3.126 20 30 DGEDHN COC(=O)C[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000179143296 533632381 /nfs/dbraw/zinc/63/23/81/533632381.db2.gz PTCAWWSXJBOTCE-HNNXBMFYSA-N 0 3 300.402 3.015 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2ccccc2nc1OC ZINC000584698786 400089697 /nfs/dbraw/zinc/08/96/97/400089697.db2.gz BRLXOOYINCNPTM-CRAIPNDOSA-N 0 3 312.413 3.314 20 30 DGEDHN CCN1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000091166329 400100257 /nfs/dbraw/zinc/10/02/57/400100257.db2.gz IQMYCNXTJVTJMP-UHFFFAOYSA-N 0 3 314.433 3.047 20 30 DGEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000008002710 400115822 /nfs/dbraw/zinc/11/58/22/400115822.db2.gz SFDKPBURPYOBSI-LJQANCHMSA-N 0 3 307.397 3.484 20 30 DGEDHN C[C@@H](C#N)C(=O)Nc1ccc(SCCN2CCCCC2)cc1 ZINC000581550860 400080298 /nfs/dbraw/zinc/08/02/98/400080298.db2.gz ROQVVLKTDWXEPN-AWEZNQCLSA-N 0 3 317.458 3.363 20 30 DGEDHN C=CCC[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000581717224 400082083 /nfs/dbraw/zinc/08/20/83/400082083.db2.gz IAIBNRJNJJOMBU-WBVHZDCISA-N 0 3 319.376 3.456 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCCC1 ZINC000595508126 400171895 /nfs/dbraw/zinc/17/18/95/400171895.db2.gz UDNYFFVPSQRFQQ-MRXNPFEDSA-N 0 3 320.481 3.024 20 30 DGEDHN CC(C)n1cc(C2=CCCN(CCC(C)(C)C#N)CC2)nn1 ZINC000595524324 400177158 /nfs/dbraw/zinc/17/71/58/400177158.db2.gz LVCSDNOBBKSJSN-UHFFFAOYSA-N 0 3 301.438 3.278 20 30 DGEDHN N#C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000595312979 400125521 /nfs/dbraw/zinc/12/55/21/400125521.db2.gz QNFSOOZQXFQYIO-IAGOWNOFSA-N 0 3 303.837 3.465 20 30 DGEDHN N#Cc1ncccc1NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309724973 400131483 /nfs/dbraw/zinc/13/14/83/400131483.db2.gz NJBBZSAJTZRLHJ-KRWDZBQOSA-N 0 3 306.413 3.277 20 30 DGEDHN CN(c1cnccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000091730783 400133922 /nfs/dbraw/zinc/13/39/22/400133922.db2.gz WFNYVMTVVMKZLG-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092094027 400154243 /nfs/dbraw/zinc/15/42/43/400154243.db2.gz QRIDBDXLGKSARQ-CYBMUJFWSA-N 0 3 306.431 3.175 20 30 DGEDHN CC[C@]1(NCc2ccc(OC)c(OCCCC#N)c2)CCOC1 ZINC000616487697 400158186 /nfs/dbraw/zinc/15/81/86/400158186.db2.gz FGFYLGDJNQOKBM-SFHVURJKSA-N 0 3 318.417 3.036 20 30 DGEDHN CO[C@]1(C(F)(F)F)CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595469053 400160027 /nfs/dbraw/zinc/16/00/27/400160027.db2.gz MTYCTFRLZWSCHV-OAHLLOKOSA-N 0 3 312.335 3.144 20 30 DGEDHN Cc1ccc(-c2ccc(CNC3CCN(CC#N)CC3)o2)cc1 ZINC000609335133 400160603 /nfs/dbraw/zinc/16/06/03/400160603.db2.gz VRNYWOWLCIGPKY-UHFFFAOYSA-N 0 3 309.413 3.333 20 30 DGEDHN COCCN(CCc1ccc(C#N)cc1)Cc1scnc1C ZINC000595482651 400165495 /nfs/dbraw/zinc/16/54/95/400165495.db2.gz SZICQBKEHUVCPR-UHFFFAOYSA-N 0 3 315.442 3.014 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](CC(C)C)c2ccccc2C)C1=O ZINC000337180389 400188213 /nfs/dbraw/zinc/18/82/13/400188213.db2.gz LVVNQIRQPWGZFN-MSOLQXFVSA-N 0 3 300.446 3.459 20 30 DGEDHN C[C@H](NC(=O)CCCCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000588683577 400222221 /nfs/dbraw/zinc/22/22/21/400222221.db2.gz XRJXPAVLQAGLMD-YJBOKZPZSA-N 0 3 301.434 3.268 20 30 DGEDHN CC#CCN1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000610212574 400223505 /nfs/dbraw/zinc/22/35/05/400223505.db2.gz OTVUCWHSTRFHTQ-LJQANCHMSA-N 0 3 313.441 3.459 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)CCCCCC#N)CCN1Cc1ccccc1 ZINC000588771202 400228888 /nfs/dbraw/zinc/22/88/88/400228888.db2.gz DZPURMRKSUQLFP-AEFFLSMTSA-N 0 3 313.445 3.240 20 30 DGEDHN Cc1cc(C)c(C#N)c(N2CC[C@H](N(C)Cc3ccccc3)C2)n1 ZINC000610281872 400234209 /nfs/dbraw/zinc/23/42/09/400234209.db2.gz SXQZEYQBAUYJHZ-SFHVURJKSA-N 0 3 320.440 3.281 20 30 DGEDHN N#CC1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCCC1 ZINC000068209856 400242496 /nfs/dbraw/zinc/24/24/96/400242496.db2.gz ZJMQCWPMQFNSJO-UHFFFAOYSA-N 0 3 317.477 3.185 20 30 DGEDHN N#Cc1csc(CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000093389354 400244729 /nfs/dbraw/zinc/24/47/29/400244729.db2.gz GCFAMYKFPKDWTN-SFHVURJKSA-N 0 3 312.438 3.492 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)s1 ZINC000588928724 400247066 /nfs/dbraw/zinc/24/70/66/400247066.db2.gz MKVJLFUQLNRMOR-LBPRGKRZSA-N 0 3 306.818 3.139 20 30 DGEDHN Cc1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000601153051 400249703 /nfs/dbraw/zinc/24/97/03/400249703.db2.gz URZMUZXXEZAOPX-UHFFFAOYSA-N 0 3 309.413 3.214 20 30 DGEDHN CCC1(CC)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000595752027 400249947 /nfs/dbraw/zinc/24/99/47/400249947.db2.gz JAXNRGCDXUAQLP-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CCC1(CC)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595753509 400250018 /nfs/dbraw/zinc/25/00/18/400250018.db2.gz WJMJMUSDSBDXND-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN N#CCCCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000588154765 400191818 /nfs/dbraw/zinc/19/18/18/400191818.db2.gz NTTKDEQXTURAJX-UHFFFAOYSA-N 0 3 305.466 3.185 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1[nH]nc(C)c1C(=O)OCC ZINC000595603284 400199981 /nfs/dbraw/zinc/19/99/81/400199981.db2.gz LVXQEXONSUMYFN-ZIAGYGMSSA-N 0 3 305.422 3.119 20 30 DGEDHN N#Cc1ccc([C@@H](N[C@@H]2CCCC23CCCCC3)C(N)=O)cc1 ZINC000595602683 400200048 /nfs/dbraw/zinc/20/00/48/400200048.db2.gz DAWQSMGTZJJUEG-IAGOWNOFSA-N 0 3 311.429 3.177 20 30 DGEDHN N#Cc1ccc([C@@H](N[C@H]2CCCC23CCCCC3)C(N)=O)cc1 ZINC000595602680 400200129 /nfs/dbraw/zinc/20/01/29/400200129.db2.gz DAWQSMGTZJJUEG-DLBZAZTESA-N 0 3 311.429 3.177 20 30 DGEDHN CC(C)COc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1 ZINC000609921772 400202732 /nfs/dbraw/zinc/20/27/32/400202732.db2.gz BTJTXOBTHGWPRV-CQSZACIVSA-N 0 3 302.418 3.275 20 30 DGEDHN Cc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000026224412 400254550 /nfs/dbraw/zinc/25/45/50/400254550.db2.gz ZQZYTTNZBXZCKV-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN N#CC[C@@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000595619469 400209291 /nfs/dbraw/zinc/20/92/91/400209291.db2.gz BPKOLEQTZSLJRU-LPHOPBHVSA-N 0 3 314.429 3.370 20 30 DGEDHN CCOc1ccc(NC(=O)CCN2CCC[C@@H](CC#N)C2)cc1 ZINC000595620688 400209441 /nfs/dbraw/zinc/20/94/41/400209441.db2.gz OVVQNGJHZZZXJD-HNNXBMFYSA-N 0 3 315.417 3.040 20 30 DGEDHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000595621866 400211185 /nfs/dbraw/zinc/21/11/85/400211185.db2.gz YYBRPSBBSSIRCA-LSDHHAIUSA-N 0 3 322.836 3.014 20 30 DGEDHN CCN(CCOC[C@@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000610160966 400217350 /nfs/dbraw/zinc/21/73/50/400217350.db2.gz BGPASOAJXPGJBQ-YJBOKZPZSA-N 0 3 302.418 3.137 20 30 DGEDHN CC[C@H](NCCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595798930 400262712 /nfs/dbraw/zinc/26/27/12/400262712.db2.gz AHOLLDVIMHMVIF-AWEZNQCLSA-N 0 3 303.454 3.375 20 30 DGEDHN CC(C)CC1(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000595831736 400274672 /nfs/dbraw/zinc/27/46/72/400274672.db2.gz QUJFJZVCBSSSTM-KRWDZBQOSA-N 0 3 311.429 3.222 20 30 DGEDHN CC(C)(C)CN(CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000610613925 400282219 /nfs/dbraw/zinc/28/22/19/400282219.db2.gz OMGULEJTWXLARE-UHFFFAOYSA-N 0 3 312.360 3.000 20 30 DGEDHN N#Cc1ccsc1NC(=O)CN(CCC1CC1)CC1CC1 ZINC000595872429 400284060 /nfs/dbraw/zinc/28/40/60/400284060.db2.gz YTXPVMZIPUCUJY-UHFFFAOYSA-N 0 3 303.431 3.070 20 30 DGEDHN C[C@@H]1[C@H](C)N(CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000595886480 400287270 /nfs/dbraw/zinc/28/72/70/400287270.db2.gz OGHFXFGPXIOLIV-IYBDPMFKSA-N 0 3 304.482 3.261 20 30 DGEDHN COc1cccc2c1OC[C@H](N[C@@H]1CCc3ccc(C#N)cc31)C2 ZINC000589338774 400289950 /nfs/dbraw/zinc/28/99/50/400289950.db2.gz COVHCLIYSWUNCB-SJLPKXTDSA-N 0 3 320.392 3.147 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000068839350 400294450 /nfs/dbraw/zinc/29/44/50/400294450.db2.gz QXQHVZSMJBUZQG-HZPDHXFCSA-N 0 3 316.445 3.325 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000610720064 400296608 /nfs/dbraw/zinc/29/66/08/400296608.db2.gz MMUZSFOPAODQGG-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN CC(C)O[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000404697916 400296780 /nfs/dbraw/zinc/29/67/80/400296780.db2.gz MGYQWJJKLAKJLY-GOSISDBHSA-N 0 3 302.418 3.217 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC3(CC3(F)F)CC2)c1 ZINC000404702341 400297300 /nfs/dbraw/zinc/29/73/00/400297300.db2.gz GMSUSFYZRITKOZ-UHFFFAOYSA-N 0 3 306.356 3.448 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2CC#N)c1 ZINC000601378362 400298062 /nfs/dbraw/zinc/29/80/62/400298062.db2.gz BRPRLHKOMURXPU-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1CC#N ZINC000601410039 400299471 /nfs/dbraw/zinc/29/94/71/400299471.db2.gz FHBSATRILQMJFD-MRXNPFEDSA-N 0 3 321.424 3.003 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)c1ccccc1CC#N ZINC000601518693 400305106 /nfs/dbraw/zinc/30/51/06/400305106.db2.gz OFVUCRUJYAHPPT-UHFFFAOYSA-N 0 3 307.397 3.109 20 30 DGEDHN C[C@H]1C[C@@H](NC2CCN(CC#N)CC2)c2ccsc2S1 ZINC000610813046 400310693 /nfs/dbraw/zinc/31/06/93/400310693.db2.gz XBHKXKYBTWCTAT-SMDDNHRTSA-N 0 3 307.488 3.251 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1nc2ncccc2cc1C#N ZINC000596086204 400313429 /nfs/dbraw/zinc/31/34/29/400313429.db2.gz VUSNHHGEMXALHB-ZIAGYGMSSA-N 0 3 309.417 3.034 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1F ZINC000595787465 400259712 /nfs/dbraw/zinc/25/97/12/400259712.db2.gz JBRVKLXVCTUCGA-WMZOPIPTSA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000611402434 400394663 /nfs/dbraw/zinc/39/46/63/400394663.db2.gz ASDNEYFNQYWQMM-LPHOPBHVSA-N 0 3 307.397 3.211 20 30 DGEDHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000611388492 400390268 /nfs/dbraw/zinc/39/02/68/400390268.db2.gz PHENKVACKGXENW-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN C[C@H](NCCCn1c2ccccc2[nH]c1=O)c1cccc(C#N)c1 ZINC000611388292 400390292 /nfs/dbraw/zinc/39/02/92/400390292.db2.gz ZRPVROLUADZKIK-AWEZNQCLSA-N 0 3 320.396 3.354 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578447819 400329630 /nfs/dbraw/zinc/32/96/30/400329630.db2.gz WSJHATRPKORPMD-WMLDXEAASA-N 0 3 321.852 3.041 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)CCCCCC#N ZINC000589833423 400331193 /nfs/dbraw/zinc/33/11/93/400331193.db2.gz AOQMZONTSPJUHW-UHFFFAOYSA-N 0 3 307.482 3.431 20 30 DGEDHN Cc1cc(C)cc(OC[C@H](O)CN2CCC(CCC#N)CC2)c1 ZINC000578863958 400332546 /nfs/dbraw/zinc/33/25/46/400332546.db2.gz ZJOQBHUCJPIJPY-GOSISDBHSA-N 0 3 316.445 3.059 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611389482 400391402 /nfs/dbraw/zinc/39/14/02/400391402.db2.gz XBIFIVKLVZTELV-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN CN(C)[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611390157 400391649 /nfs/dbraw/zinc/39/16/49/400391649.db2.gz GQULHUVUWMADLM-QZTJIDSGSA-N 0 3 309.413 3.421 20 30 DGEDHN C[C@H](N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000589949544 400341679 /nfs/dbraw/zinc/34/16/79/400341679.db2.gz BOECZOYTMDNOOG-CHIMOYNISA-N 0 3 316.298 3.194 20 30 DGEDHN C[C@H](N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000589949546 400341776 /nfs/dbraw/zinc/34/17/76/400341776.db2.gz BOECZOYTMDNOOG-DRCTWCGVSA-N 0 3 316.298 3.194 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000108514079 400344676 /nfs/dbraw/zinc/34/46/76/400344676.db2.gz PFXUPZJLJFINOS-OAHLLOKOSA-N 0 3 317.433 3.105 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(OCc3ccccn3)c2)C1 ZINC000580768231 400346877 /nfs/dbraw/zinc/34/68/77/400346877.db2.gz BKUDBXVHKPKWCY-WBVHZDCISA-N 0 3 307.397 3.442 20 30 DGEDHN CN1CCC[C@]2(CCN(c3nc(C(C)(C)C)ccc3C#N)C2)C1 ZINC000590141923 400360670 /nfs/dbraw/zinc/36/06/70/400360670.db2.gz LHFNJDQBXJKUMO-IBGZPJMESA-N 0 3 312.461 3.173 20 30 DGEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000611236099 400362941 /nfs/dbraw/zinc/36/29/41/400362941.db2.gz YOIMFJLVZCPMOL-SJORKVTESA-N 0 3 320.440 3.048 20 30 DGEDHN Cc1ccc(C#N)nc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000596258181 400363590 /nfs/dbraw/zinc/36/35/90/400363590.db2.gz WMPZKNIMCQSKDC-MRXNPFEDSA-N 0 3 320.440 3.220 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NCCN(CC)C2CC2)c1 ZINC000111749693 400368301 /nfs/dbraw/zinc/36/83/01/400368301.db2.gz WHNZNNGKPZVABO-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN CCC[C@H](C)C(=O)NCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000590256463 400372138 /nfs/dbraw/zinc/37/21/38/400372138.db2.gz QXCGLIBVYDDCIB-KSSFIOAISA-N 0 3 313.445 3.078 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1nc2cc(Cl)ccn2c1C#N ZINC000596309528 400376986 /nfs/dbraw/zinc/37/69/86/400376986.db2.gz TWPOZMNCQZPHRK-GFCCVEGCSA-N 0 3 317.824 3.144 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000072672756 400397602 /nfs/dbraw/zinc/39/76/02/400397602.db2.gz JVNFBLULJCJJSR-KRWDZBQOSA-N 0 3 312.392 3.424 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2ccccn2)C1 ZINC000590600912 400401179 /nfs/dbraw/zinc/40/11/79/400401179.db2.gz PGMNNVNVVGQQNZ-INIZCTEOSA-N 0 3 307.397 3.341 20 30 DGEDHN CCN(C)C(=O)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000590779250 400433751 /nfs/dbraw/zinc/43/37/51/400433751.db2.gz BFSPIVOYAYFXOC-ROUUACIJSA-N 0 3 313.445 3.028 20 30 DGEDHN C=CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000617615698 400426577 /nfs/dbraw/zinc/42/65/77/400426577.db2.gz XWTFHUQXALVBHH-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)Nc1nc2ncccc2cc1C#N ZINC000596489903 400427998 /nfs/dbraw/zinc/42/79/98/400427998.db2.gz XKSFQYAWBPRTGJ-CQSZACIVSA-N 0 3 309.417 3.034 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](OCC)C2=CCCC2)CC1 ZINC000073080350 400429598 /nfs/dbraw/zinc/42/95/98/400429598.db2.gz OCWBVBCHMYJJGD-GOSISDBHSA-N 0 3 320.477 3.049 20 30 DGEDHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H](C)CCC#N ZINC000602437136 400460492 /nfs/dbraw/zinc/46/04/92/400460492.db2.gz VGGOGMPNPYPCHF-UONOGXRCSA-N 0 3 308.447 3.023 20 30 DGEDHN CN1CCC(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 ZINC000073491396 400452756 /nfs/dbraw/zinc/45/27/56/400452756.db2.gz YZBCTAARUVGTHD-QGZVFWFLSA-N 0 3 313.445 3.007 20 30 DGEDHN C[C@@H](CO)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000121328183 400453456 /nfs/dbraw/zinc/45/34/56/400453456.db2.gz IXKLNECOCZUSMA-OAHLLOKOSA-N 0 3 312.388 3.328 20 30 DGEDHN CCOc1ccc(Cl)cc1CCNCc1cccc(C#N)n1 ZINC000602577000 400501553 /nfs/dbraw/zinc/50/15/53/400501553.db2.gz MUCOJOFABHSOTM-UHFFFAOYSA-N 0 3 315.804 3.338 20 30 DGEDHN CN(Cc1cccc(C#N)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602445288 400465485 /nfs/dbraw/zinc/46/54/85/400465485.db2.gz ONBJVQBWLZFQFU-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN Cc1ccncc1[C@H](C)NCCC(=O)Nc1sccc1C#N ZINC000611938949 400465971 /nfs/dbraw/zinc/46/59/71/400465971.db2.gz LYMWDLSAXDCIMN-LBPRGKRZSA-N 0 3 314.414 3.003 20 30 DGEDHN C[C@@H](CCC#N)CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000602450594 400467295 /nfs/dbraw/zinc/46/72/95/400467295.db2.gz BYEHQLDRGZAELR-INIZCTEOSA-N 0 3 308.429 3.297 20 30 DGEDHN CN(C)[C@H](CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000596641198 400469084 /nfs/dbraw/zinc/46/90/84/400469084.db2.gz NMDIIHNAYTXSOK-QGZVFWFLSA-N 0 3 313.445 3.270 20 30 DGEDHN CCOc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1O ZINC000590962135 400469446 /nfs/dbraw/zinc/46/94/46/400469446.db2.gz NBHFHORGPLMUJQ-KRWDZBQOSA-N 0 3 308.381 3.440 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)Nc1cccc(CN(C)C)c1 ZINC000602485529 400475414 /nfs/dbraw/zinc/47/54/14/400475414.db2.gz UVADPQFIXPZDTF-OAHLLOKOSA-N 0 3 301.434 3.259 20 30 DGEDHN COc1cccc(NC(=O)CCN[C@H](C)c2cccc(C#N)c2)c1 ZINC000591023147 400477102 /nfs/dbraw/zinc/47/71/02/400477102.db2.gz ZXFQFTLPAJGGQT-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000591022916 400477264 /nfs/dbraw/zinc/47/72/64/400477264.db2.gz ACUVLLSMELPHOG-SCLBCKFNSA-N 0 3 305.381 3.162 20 30 DGEDHN C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000591022915 400477361 /nfs/dbraw/zinc/47/73/61/400477361.db2.gz ACUVLLSMELPHOG-FZKQIMNGSA-N 0 3 305.381 3.162 20 30 DGEDHN C[C@@H](CCC#N)CNc1cccc(CN2CCC(CO)CC2)c1 ZINC000602490868 400478393 /nfs/dbraw/zinc/47/83/93/400478393.db2.gz WZSYOWWUJDIDKP-INIZCTEOSA-N 0 3 315.461 3.243 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H](C4CCC4)C3)o2)c1 ZINC000591062194 400480220 /nfs/dbraw/zinc/48/02/20/400480220.db2.gz WXMVTTPEFMJWJM-MRXNPFEDSA-N 0 3 308.385 3.230 20 30 DGEDHN COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1OC ZINC000612058566 400481537 /nfs/dbraw/zinc/48/15/37/400481537.db2.gz AOUMSPDYMJKWAN-UHFFFAOYSA-N 0 3 310.397 3.402 20 30 DGEDHN COCc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602513663 400485112 /nfs/dbraw/zinc/48/51/12/400485112.db2.gz ZGJUBGGLFBEAFD-OAHLLOKOSA-N 0 3 302.418 3.022 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1-n1ccnc1 ZINC000602520918 400486939 /nfs/dbraw/zinc/48/69/39/400486939.db2.gz LITPCOHOVIMPMX-INIZCTEOSA-N 0 3 324.428 3.061 20 30 DGEDHN CCOc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602524140 400488224 /nfs/dbraw/zinc/48/82/24/400488224.db2.gz BXXXBZOEWXVCQP-OAHLLOKOSA-N 0 3 302.418 3.274 20 30 DGEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597150466 400570359 /nfs/dbraw/zinc/57/03/59/400570359.db2.gz SWMLPMSAZPUJNQ-GOSISDBHSA-N 0 3 312.413 3.017 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618352584 400571626 /nfs/dbraw/zinc/57/16/26/400571626.db2.gz QWLPVKLBHHBDND-UYAOXDASSA-N 0 3 314.473 3.364 20 30 DGEDHN COC[C@H](C)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597178111 400577125 /nfs/dbraw/zinc/57/71/25/400577125.db2.gz VRCIWZXGIZTNMD-JKSUJKDBSA-N 0 3 302.418 3.226 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCOc2c(F)cccc21 ZINC000602624425 400515331 /nfs/dbraw/zinc/51/53/31/400515331.db2.gz BAVBFOCDWIDSQR-CZUORRHYSA-N 0 3 318.392 3.338 20 30 DGEDHN COc1ccccc1-c1noc([C@@H](C)NC[C@@H](C)CCC#N)n1 ZINC000602649649 400523714 /nfs/dbraw/zinc/52/37/14/400523714.db2.gz YJAHULNUTWUYEF-QWHCGFSZSA-N 0 3 314.389 3.336 20 30 DGEDHN C[C@@H]1CN(c2ccccc2CN2CCC[C@H](CC#N)C2)CCO1 ZINC000597177615 400578190 /nfs/dbraw/zinc/57/81/90/400578190.db2.gz QKLYJNVJUMLYDY-IAGOWNOFSA-N 0 3 313.445 3.037 20 30 DGEDHN C[C@@]1(C#N)CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000612366716 400531370 /nfs/dbraw/zinc/53/13/70/400531370.db2.gz UTTCABTVDHGOHX-IBGZPJMESA-N 0 3 311.429 3.048 20 30 DGEDHN Cc1noc([C@H]2CCCN(Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000596984233 400534039 /nfs/dbraw/zinc/53/40/39/400534039.db2.gz CXFVBCOPIWOEEA-INIZCTEOSA-N 0 3 322.412 3.313 20 30 DGEDHN Cc1noc([C@@H]2CCCN(Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000596984235 400534235 /nfs/dbraw/zinc/53/42/35/400534235.db2.gz CXFVBCOPIWOEEA-MRXNPFEDSA-N 0 3 322.412 3.313 20 30 DGEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3cccc(C#N)n3)C2)c1 ZINC000602685677 400537952 /nfs/dbraw/zinc/53/79/52/400537952.db2.gz JTVYSGPHWUFSIT-RZDIXWSQSA-N 0 3 307.397 3.340 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765712 400554058 /nfs/dbraw/zinc/55/40/58/400554058.db2.gz BTETZIUCKBHOAW-SCLBCKFNSA-N 0 3 314.816 3.466 20 30 DGEDHN C[C@@H](OC[C@H](O)CNCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591764330 400554264 /nfs/dbraw/zinc/55/42/64/400554264.db2.gz DTPQNTZJWPBBPP-CZUORRHYSA-N 0 3 322.836 3.062 20 30 DGEDHN COC[C@@H](C)Oc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000597084160 400555845 /nfs/dbraw/zinc/55/58/45/400555845.db2.gz ZLTKMNLYUPCOSF-OAHLLOKOSA-N 0 3 302.418 3.226 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000046345439 400561025 /nfs/dbraw/zinc/56/10/25/400561025.db2.gz MLYZKVCRMTYGBB-PBHICJAKSA-N 0 3 309.837 3.453 20 30 DGEDHN N#CC1(c2ccc(CN3CCOC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000597129461 400564549 /nfs/dbraw/zinc/56/45/49/400564549.db2.gz KGCSYCWPXQKFJC-SFHVURJKSA-N 0 3 310.441 3.490 20 30 DGEDHN N#CCC1(CN2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000602759754 400565159 /nfs/dbraw/zinc/56/51/59/400565159.db2.gz OASYTYFRXIVJIL-UHFFFAOYSA-N 0 3 301.409 3.027 20 30 DGEDHN COC(=O)C(C)(C)[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602804614 400580734 /nfs/dbraw/zinc/58/07/34/400580734.db2.gz KILXAVFOKRSBQY-OAHLLOKOSA-N 0 3 300.402 3.210 20 30 DGEDHN N#CC[C@]1(O)CCN(CCCSc2ccccc2Cl)C1 ZINC000592151612 400614750 /nfs/dbraw/zinc/61/47/50/400614750.db2.gz PUMUFAJCNROEOQ-HNNXBMFYSA-N 0 3 310.850 3.173 20 30 DGEDHN CC(C)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000140405982 400618083 /nfs/dbraw/zinc/61/80/83/400618083.db2.gz IUWSMPCLCRGSRB-OAHLLOKOSA-N 0 3 305.809 3.271 20 30 DGEDHN CC[C@H](C)N1CCN(c2c(C#N)cnc3ccc(OC)cc32)CC1 ZINC000591947257 400585669 /nfs/dbraw/zinc/58/56/69/400585669.db2.gz JKEOCHMWXDRRBK-AWEZNQCLSA-N 0 3 324.428 3.036 20 30 DGEDHN CC(C)CN(C(=O)CC1(C#N)CCCCC1)C1CCN(C)CC1 ZINC000597226665 400592351 /nfs/dbraw/zinc/59/23/51/400592351.db2.gz VTESALGGODNJAZ-UHFFFAOYSA-N 0 3 319.493 3.429 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000075678090 400602664 /nfs/dbraw/zinc/60/26/64/400602664.db2.gz BMPTVFGODXMFNT-HOCLYGCPSA-N 0 3 308.385 3.373 20 30 DGEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C1CC1)C1CC1 ZINC000075676241 400603160 /nfs/dbraw/zinc/60/31/60/400603160.db2.gz YXCAVKCFLUKZTF-UHFFFAOYSA-N 0 3 308.385 3.229 20 30 DGEDHN N#CC1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000146990356 400651099 /nfs/dbraw/zinc/65/10/99/400651099.db2.gz YXMDLYRRFURGTM-UHFFFAOYSA-N 0 3 311.429 3.048 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000592481677 400656999 /nfs/dbraw/zinc/65/69/99/400656999.db2.gz KTYNRDGTFPRYDU-SOLBZPMBSA-N 0 3 319.493 3.295 20 30 DGEDHN CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1 ZINC000597662105 400658002 /nfs/dbraw/zinc/65/80/02/400658002.db2.gz YACBOYJDYBDBJX-YJBOKZPZSA-N 0 3 315.461 3.154 20 30 DGEDHN CC(C)(C)N1CCCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603282478 400664681 /nfs/dbraw/zinc/66/46/81/400664681.db2.gz XJFCOHUDIPVVRK-UHFFFAOYSA-N 0 3 323.444 3.055 20 30 DGEDHN CCC(C#N)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000597766419 400669841 /nfs/dbraw/zinc/66/98/41/400669841.db2.gz XLALWEHUBYXDFB-CYBMUJFWSA-N 0 3 308.422 3.087 20 30 DGEDHN CC(C)N(C(=O)[C@@H](C)CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597806889 400675300 /nfs/dbraw/zinc/67/53/00/400675300.db2.gz MQCBMKUZUDTURS-WMZOPIPTSA-N 0 3 313.445 3.048 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2cccs2)CCCCC1 ZINC000151844848 400675812 /nfs/dbraw/zinc/67/58/12/400675812.db2.gz FZIGDTQILBZDHT-AWEZNQCLSA-N 0 3 306.475 3.230 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000613255721 400683509 /nfs/dbraw/zinc/68/35/09/400683509.db2.gz BZBKSQAJNLDHOI-KCPJHIHWSA-N 0 3 312.335 3.411 20 30 DGEDHN Cc1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000603432113 400686681 /nfs/dbraw/zinc/68/66/81/400686681.db2.gz JFIKWPUANUFSKI-UHFFFAOYSA-N 0 3 320.440 3.016 20 30 DGEDHN CCCCN(C)C(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000052185985 400721929 /nfs/dbraw/zinc/72/19/29/400721929.db2.gz XBHBZGLATQQHPN-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN N#Cc1ccccc1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603864822 400725976 /nfs/dbraw/zinc/72/59/76/400725976.db2.gz ITRQIAMBKFHBJO-KDURUIRLSA-N 0 3 303.409 3.126 20 30 DGEDHN N#Cc1cccc(OCCN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000052307076 400726103 /nfs/dbraw/zinc/72/61/03/400726103.db2.gz KGVGCRXSNFYCLI-UHFFFAOYSA-N 0 3 320.392 3.432 20 30 DGEDHN N#Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000592998037 400729854 /nfs/dbraw/zinc/72/98/54/400729854.db2.gz NTYFNAYRNPJLQW-STQMWFEESA-N 0 3 312.291 3.244 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCc2ccccc2CC1 ZINC000077316913 400708766 /nfs/dbraw/zinc/70/87/66/400708766.db2.gz DOEGVOTZAGZZRB-UHFFFAOYSA-N 0 3 322.408 3.046 20 30 DGEDHN CN(C)Cc1cccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618893365 400711190 /nfs/dbraw/zinc/71/11/90/400711190.db2.gz KIRYIZIWXVEQRW-IBGZPJMESA-N 0 3 319.408 3.037 20 30 DGEDHN C[C@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000597980614 400711417 /nfs/dbraw/zinc/71/14/17/400711417.db2.gz UGELUOLBJCEDOP-SFUIVIKGSA-N 0 3 323.440 3.429 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000618892957 400711456 /nfs/dbraw/zinc/71/14/56/400711456.db2.gz TVRSPXUFFLGCIP-RTBURBONSA-N 0 3 323.440 3.069 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000613422784 400714212 /nfs/dbraw/zinc/71/42/12/400714212.db2.gz AVWZLAINTQNGLB-MRXNPFEDSA-N 0 3 312.461 3.315 20 30 DGEDHN CN(C)[C@]1(CNc2nc(C(C)(C)C)ccc2C#N)CCSC1 ZINC000613426525 400717032 /nfs/dbraw/zinc/71/70/32/400717032.db2.gz DDLBGWDMDLVOHO-KRWDZBQOSA-N 0 3 318.490 3.100 20 30 DGEDHN CC[C@H](Cc1ccc(Br)cc1)NC(=O)C(C)C#N ZINC000598428153 400812092 /nfs/dbraw/zinc/81/20/92/400812092.db2.gz MKHVLWYFRBNRJC-GXFFZTMASA-N 0 3 309.207 3.046 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000598264827 400771566 /nfs/dbraw/zinc/77/15/66/400771566.db2.gz QVFXKDHQPOKHMG-CYBMUJFWSA-N 0 3 319.836 3.062 20 30 DGEDHN CCN(CCOc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000604492736 400780199 /nfs/dbraw/zinc/78/01/99/400780199.db2.gz BEVIATQVHXVNPM-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN Cc1cc(C)c(C#N)c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000078262259 400781945 /nfs/dbraw/zinc/78/19/45/400781945.db2.gz BHOJJLCYEMCDFR-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)CC2CCCCC2)CC1 ZINC000171560280 400802660 /nfs/dbraw/zinc/80/26/60/400802660.db2.gz IGOFLPJPYDETHD-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN CC[C@@H](C#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000593539880 400873228 /nfs/dbraw/zinc/87/32/28/400873228.db2.gz XIAFOBFQKYQHGU-HNNXBMFYSA-N 0 3 315.417 3.040 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000619673127 400882298 /nfs/dbraw/zinc/88/22/98/400882298.db2.gz YBCQVQCQMSDLOX-BXUZGUMPSA-N 0 3 316.792 3.214 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000598619047 400843745 /nfs/dbraw/zinc/84/37/45/400843745.db2.gz UXHGQBYPJNMARJ-GOEBONIOSA-N 0 3 322.836 3.094 20 30 DGEDHN C=CCCSCCN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000598678943 400856946 /nfs/dbraw/zinc/85/69/46/400856946.db2.gz BAKNMNLSFRPQGG-MRXNPFEDSA-N 0 3 304.459 3.383 20 30 DGEDHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508631 400857995 /nfs/dbraw/zinc/85/79/95/400857995.db2.gz PWUNOUSJAIZDPA-MSOLQXFVSA-N 0 3 313.445 3.076 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCSc2c(F)cccc21 ZINC000598699217 400859737 /nfs/dbraw/zinc/85/97/37/400859737.db2.gz CXKIWXAXYNIFOQ-BXUZGUMPSA-N 0 3 308.422 3.253 20 30 DGEDHN CC(C)COc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598699174 400859816 /nfs/dbraw/zinc/85/98/16/400859816.db2.gz CEJVVHFQWPAMFI-INIZCTEOSA-N 0 3 304.434 3.112 20 30 DGEDHN CC(C)(C)Oc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598702672 400860826 /nfs/dbraw/zinc/86/08/26/400860826.db2.gz XITIPJYABHKUTF-HNNXBMFYSA-N 0 3 304.434 3.254 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1OC1CCCC1 ZINC000598701592 400860865 /nfs/dbraw/zinc/86/08/65/400860865.db2.gz XPYVDRDZTUWNIS-MRXNPFEDSA-N 0 3 316.445 3.398 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(OC2CCCC2)cc1 ZINC000598719863 400864770 /nfs/dbraw/zinc/86/47/70/400864770.db2.gz KKAUFFJMGAPABW-MRXNPFEDSA-N 0 3 316.445 3.398 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(-c2cccnc2)cc1 ZINC000598719742 400864931 /nfs/dbraw/zinc/86/49/31/400864931.db2.gz KTXYHFRNYNBAGN-SFHVURJKSA-N 0 3 309.413 3.139 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000598724844 400867097 /nfs/dbraw/zinc/86/70/97/400867097.db2.gz RTFYPNOWBARFNB-DOMZBBRYSA-N 0 3 322.836 3.444 20 30 DGEDHN C=CCOc1cccc(NC(=O)NCCN2CCC(C)CC2)c1 ZINC000056625006 400938487 /nfs/dbraw/zinc/93/84/87/400938487.db2.gz VFKQBWNYIFYMER-UHFFFAOYSA-N 0 3 317.433 3.105 20 30 DGEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccccc1C(C)(C)C#N ZINC000182651199 400895110 /nfs/dbraw/zinc/89/51/10/400895110.db2.gz NTXZANYEEAWUAV-AWEZNQCLSA-N 0 3 302.418 3.261 20 30 DGEDHN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000614407400 400896037 /nfs/dbraw/zinc/89/60/37/400896037.db2.gz PLPIBOYPIOOAGS-QGZVFWFLSA-N 0 3 314.429 3.278 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000183996915 400902049 /nfs/dbraw/zinc/90/20/49/400902049.db2.gz UWOFMQZVUHLJOT-DLBZAZTESA-N 0 3 322.452 3.487 20 30 DGEDHN CCC(C#N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000593735790 400902227 /nfs/dbraw/zinc/90/22/27/400902227.db2.gz XTGLVJUQHRTASV-OLZOCXBDSA-N 0 3 310.438 3.189 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccsc1 ZINC000619783285 400906130 /nfs/dbraw/zinc/90/61/30/400906130.db2.gz QBBZUAJPBZKSIF-SNVBAGLBSA-N 0 3 305.428 3.361 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCCSC)cc1OC ZINC000598952081 400911055 /nfs/dbraw/zinc/91/10/55/400911055.db2.gz FHDYBOVOUJMNIX-UHFFFAOYSA-N 0 3 301.839 3.366 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@H]1CCN(CCC)C1)c1ccccc1 ZINC000619902200 400917097 /nfs/dbraw/zinc/91/70/97/400917097.db2.gz BUZPHWBYFRHQFN-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN CC(C)CCOCCN1CCCN(c2ccccc2C#N)CC1 ZINC000056284467 400918665 /nfs/dbraw/zinc/91/86/65/400918665.db2.gz PGFQVQPYSIHHAU-UHFFFAOYSA-N 0 3 315.461 3.133 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000598981072 400919245 /nfs/dbraw/zinc/91/92/45/400919245.db2.gz JXCUMPGXEASLIA-KRWDZBQOSA-N 0 3 313.445 3.270 20 30 DGEDHN Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1C#N ZINC000599268984 401004808 /nfs/dbraw/zinc/00/48/08/401004808.db2.gz LNUXUOOWYJKLKV-BGYRXZFFSA-N 0 3 317.436 3.435 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000057153095 400977195 /nfs/dbraw/zinc/97/71/95/400977195.db2.gz BTJGUTUQYLFUKG-QGZVFWFLSA-N 0 3 318.848 3.253 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2ccncc2)C1 ZINC000594359548 401051544 /nfs/dbraw/zinc/05/15/44/401051544.db2.gz IPMREVWBDTVSBH-RTBURBONSA-N 0 3 319.408 3.170 20 30 DGEDHN COc1ccc2c(c1)CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000594400138 401056953 /nfs/dbraw/zinc/05/69/53/401056953.db2.gz QWFWJLNFSOBSQK-MRXNPFEDSA-N 0 3 320.392 3.310 20 30 DGEDHN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594433246 401068701 /nfs/dbraw/zinc/06/87/01/401068701.db2.gz MTFPADCNJQUZJB-QZTJIDSGSA-N 0 3 315.461 3.186 20 30 DGEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1ccccc1Cl ZINC000594435977 401070442 /nfs/dbraw/zinc/07/04/42/401070442.db2.gz GFOFUEBZDDCASS-OAHLLOKOSA-N 0 3 321.852 3.145 20 30 DGEDHN CC1(C)CCC(C)(C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000599539095 401070807 /nfs/dbraw/zinc/07/08/07/401070807.db2.gz WEFMKJUNZWTBDR-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCCC(F)(F)CC1 ZINC000599553303 401075274 /nfs/dbraw/zinc/07/52/74/401075274.db2.gz ZBWQXYXBKSFIJY-UHFFFAOYSA-N 0 3 307.344 3.008 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCCC(F)(F)CC1 ZINC000599551503 401075577 /nfs/dbraw/zinc/07/55/77/401075577.db2.gz OGJPGJVEPRYIHE-UHFFFAOYSA-N 0 3 310.344 3.067 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(C)cc1 ZINC000599346094 401027793 /nfs/dbraw/zinc/02/77/93/401027793.db2.gz XRVJGOHIUITLBI-RTBURBONSA-N 0 3 324.424 3.347 20 30 DGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599345448 401028125 /nfs/dbraw/zinc/02/81/25/401028125.db2.gz QQTOLYTZNITCMM-BXUZGUMPSA-N 0 3 312.335 3.411 20 30 DGEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599345451 401028398 /nfs/dbraw/zinc/02/83/98/401028398.db2.gz QQTOLYTZNITCMM-SMDDNHRTSA-N 0 3 312.335 3.411 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C ZINC000594232884 401030744 /nfs/dbraw/zinc/03/07/44/401030744.db2.gz 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322.880 3.175 20 30 DGEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2cc(C#N)cs2)C1 ZINC000084182568 431817460 /nfs/dbraw/zinc/81/74/60/431817460.db2.gz IDTNECBSSONZJJ-BETUJISGSA-N 0 3 319.474 3.106 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(F)cn1)C(C)C ZINC000123186419 431857441 /nfs/dbraw/zinc/85/74/41/431857441.db2.gz SIKJNDAVFJOYOW-HNNXBMFYSA-N 0 3 320.412 3.041 20 30 DGEDHN C=CCc1cc(CN(CC)C[C@H]2CCCO2)cc(OC)c1O ZINC000092407255 431909031 /nfs/dbraw/zinc/90/90/31/431909031.db2.gz NLEWPFDCBJCHCG-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN CN(CCc1nccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000093844003 431919076 /nfs/dbraw/zinc/91/90/76/431919076.db2.gz BLRKJEORPJCNMQ-UHFFFAOYSA-N 0 3 314.458 3.167 20 30 DGEDHN COc1ccc(F)cc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000090107463 431890252 /nfs/dbraw/zinc/89/02/52/431890252.db2.gz PAIQJMMHNBFDLR-CYBMUJFWSA-N 0 3 314.360 3.436 20 30 DGEDHN COc1cccc(N2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000124599158 431899436 /nfs/dbraw/zinc/89/94/36/431899436.db2.gz MDQSWCNTOBSOKH-UHFFFAOYSA-N 0 3 301.434 3.147 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000127623795 431976354 /nfs/dbraw/zinc/97/63/54/431976354.db2.gz XLBUKGULAOWLIT-SFHVURJKSA-N 0 3 315.461 3.431 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](CC)C1 ZINC000125657527 431932358 /nfs/dbraw/zinc/93/23/58/431932358.db2.gz SDCSAQUFRMPZHS-LSDHHAIUSA-N 0 3 306.475 3.383 20 30 DGEDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2sccc2C#N)C1 ZINC000052148248 431954792 /nfs/dbraw/zinc/95/47/92/431954792.db2.gz QIUPNFHVPWHIPQ-STQMWFEESA-N 0 3 319.474 3.106 20 30 DGEDHN COCCN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000127159048 431966155 /nfs/dbraw/zinc/96/61/55/431966155.db2.gz JEKSZAUAGOOWLQ-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN N#Cc1ccsc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000128102052 431987353 /nfs/dbraw/zinc/98/73/53/431987353.db2.gz INAFECIWTQJWJC-HNNXBMFYSA-N 0 3 323.421 3.245 20 30 DGEDHN C=C(C)CN(CC)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000128210451 431989765 /nfs/dbraw/zinc/98/97/65/431989765.db2.gz IMSOLWFNAMQDRL-OAHLLOKOSA-N 0 3 317.433 3.238 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057554506 281356738 /nfs/dbraw/zinc/35/67/38/281356738.db2.gz WWMNRRAWESDHLQ-HZPDHXFCSA-N 0 3 313.445 3.377 20 30 DGEDHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(C#N)cc1F ZINC000270677684 432275358 /nfs/dbraw/zinc/27/53/58/432275358.db2.gz RXZUNFMAUBVGQA-SGTLLEGYSA-N 0 3 316.351 3.438 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@@H]1C ZINC000248358563 432282015 /nfs/dbraw/zinc/28/20/15/432282015.db2.gz QXZRLEGYCAPSQK-QLFBSQMISA-N 0 3 317.408 3.191 20 30 DGEDHN C=CCOc1cccc(CN[C@H](CC)[C@@H](O)C(F)(F)F)c1 ZINC000270772177 432288213 /nfs/dbraw/zinc/28/82/13/432288213.db2.gz ADETYIOXEUVGNW-ZIAGYGMSSA-N 0 3 303.324 3.043 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cnc(C)nc1C)C(C)C ZINC000152068289 432301025 /nfs/dbraw/zinc/30/10/25/432301025.db2.gz SZRRRKJVHDKXIS-BEFAXECRSA-N 0 3 316.493 3.443 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000183201878 432268246 /nfs/dbraw/zinc/26/82/46/432268246.db2.gz WBMJQSQDUXCJIZ-SFHVURJKSA-N 0 3 301.434 3.044 20 30 DGEDHN COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000174052791 432316775 /nfs/dbraw/zinc/31/67/75/432316775.db2.gz WVGJASKRLVAOJE-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN N#Cc1cccc(OCCN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191965642 432318675 /nfs/dbraw/zinc/31/86/75/432318675.db2.gz FJERRPWNCJPWFT-MOPGFXCFSA-N 0 3 308.381 3.057 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191969530 432320141 /nfs/dbraw/zinc/32/01/41/432320141.db2.gz FEEUNRNKLRSBHH-KRWDZBQOSA-N 0 3 312.413 3.254 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248610864 432307364 /nfs/dbraw/zinc/30/73/64/432307364.db2.gz GEUSBVSGGSKFKT-CRAIPNDOSA-N 0 3 318.486 3.441 20 30 DGEDHN C=CCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000153080091 432382820 /nfs/dbraw/zinc/38/28/20/432382820.db2.gz GYMYBSLJCJPGSM-QGZVFWFLSA-N 0 3 324.428 3.235 20 30 DGEDHN C=CCCCC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000175078504 432396016 /nfs/dbraw/zinc/39/60/16/432396016.db2.gz QPUKYRDHWCZXLG-GOSISDBHSA-N 0 3 316.445 3.305 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccoc1Cl)C(C)C ZINC000192365846 432364721 /nfs/dbraw/zinc/36/47/21/432364721.db2.gz ZYCTZLOAXUHGOV-CQSZACIVSA-N 0 3 310.825 3.361 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000250216326 432365225 /nfs/dbraw/zinc/36/52/25/432365225.db2.gz UOCCRMSLNQIOEQ-HIFRSBDPSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000192936511 432430889 /nfs/dbraw/zinc/43/08/89/432430889.db2.gz OKUIVKYPFKSNSG-ZDUSSCGKSA-N 0 3 310.353 3.168 20 30 DGEDHN C=C[C@H](CC(=O)NCCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000153682526 432432428 /nfs/dbraw/zinc/43/24/28/432432428.db2.gz BMDNIWRFHUBJDY-IAGOWNOFSA-N 0 3 300.446 3.194 20 30 DGEDHN CCN(CC(C)C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000153770688 432441186 /nfs/dbraw/zinc/44/11/86/432441186.db2.gz MPSSCAZSPQVFDE-LBPRGKRZSA-N 0 3 319.474 3.413 20 30 DGEDHN CC(C)C[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)Nc1nccs1 ZINC000193067005 432445006 /nfs/dbraw/zinc/44/50/06/432445006.db2.gz IGWOBRJXZFXAJN-MELADBBJSA-N 0 3 320.462 3.168 20 30 DGEDHN C=CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000153506928 432415181 /nfs/dbraw/zinc/41/51/81/432415181.db2.gz PAYFYFYIDHYBQN-HNNXBMFYSA-N 0 3 321.490 3.349 20 30 DGEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)c(C#N)c1C ZINC000184642924 432416352 /nfs/dbraw/zinc/41/63/52/432416352.db2.gz PWRLUMGIPMLXKW-VXGBXAGGSA-N 0 3 303.406 3.263 20 30 DGEDHN C=CCCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000175279681 432420695 /nfs/dbraw/zinc/42/06/95/432420695.db2.gz KYHBVVMSCFRFKN-UHFFFAOYSA-N 0 3 300.446 3.166 20 30 DGEDHN N=C(NCc1nc(C2CC2)cs1)Nc1cc(F)ccc1F ZINC000262309519 432481042 /nfs/dbraw/zinc/48/10/42/432481042.db2.gz SEXCBIYVYQYZKJ-UHFFFAOYSA-N 0 3 308.357 3.226 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC2CCC2)C(C)C)CC1 ZINC000193624527 432486318 /nfs/dbraw/zinc/48/63/18/432486318.db2.gz FNQDNWAJGDTGFO-UHFFFAOYSA-N 0 3 307.482 3.247 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185324739 432491701 /nfs/dbraw/zinc/49/17/01/432491701.db2.gz TXLDFYWERISJBZ-LJQANCHMSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194423014 432549566 /nfs/dbraw/zinc/54/95/66/432549566.db2.gz GHSBDXAKOYRJAT-SFHVURJKSA-N 0 3 315.461 3.116 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000194541422 432560199 /nfs/dbraw/zinc/56/01/99/432560199.db2.gz BHBXNCAMITUPKH-WMLDXEAASA-N 0 3 308.381 3.391 20 30 DGEDHN Cc1nc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)sc1C ZINC000155654034 432565323 /nfs/dbraw/zinc/56/53/23/432565323.db2.gz PHKNGWFCWOUEEY-GFCCVEGCSA-N 0 3 307.325 3.284 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000154913560 432528402 /nfs/dbraw/zinc/52/84/02/432528402.db2.gz LNNFIKDGYDLVCC-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN CN(C)[C@H](CNc1ncc(C#N)cc1Cl)c1cccs1 ZINC000263714173 432568273 /nfs/dbraw/zinc/56/82/73/432568273.db2.gz AIIXHKOVUZGAOE-GFCCVEGCSA-N 0 3 306.822 3.383 20 30 DGEDHN CC(C)Oc1ccc([C@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000176971158 432570487 /nfs/dbraw/zinc/57/04/87/432570487.db2.gz ZDZPSTXRYYEKLF-QGZVFWFLSA-N 0 3 316.426 3.230 20 30 DGEDHN CCC[C@]1(COC)CCCN1Cc1cc(C#N)ccc1OC ZINC000194926810 432588017 /nfs/dbraw/zinc/58/80/17/432588017.db2.gz GFZMJSHBPSABAN-GOSISDBHSA-N 0 3 302.418 3.348 20 30 DGEDHN C[C@@H](O)[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177149407 432590976 /nfs/dbraw/zinc/59/09/76/432590976.db2.gz WTGKIQDPLIGAEO-CZUORRHYSA-N 0 3 311.347 3.292 20 30 DGEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OCCC(C)C)c1 ZINC000273460648 432600801 /nfs/dbraw/zinc/60/08/01/432600801.db2.gz HODLUXSJRIBMLA-MRXNPFEDSA-N 0 3 307.434 3.147 20 30 DGEDHN CC(C)CCO[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000177384858 432619249 /nfs/dbraw/zinc/61/92/49/432619249.db2.gz SPPRLMHTFNGNBD-QGZVFWFLSA-N 0 3 302.418 3.074 20 30 DGEDHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157944236 432633014 /nfs/dbraw/zinc/63/30/14/432633014.db2.gz VCZDQJLKUJUXME-NSHDSACASA-N 0 3 305.809 3.271 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)[C@@]12CCCO2 ZINC000274237079 432640837 /nfs/dbraw/zinc/64/08/37/432640837.db2.gz QHHYIVWZLNLNKN-BIMQEMHKSA-N 0 3 318.392 3.075 20 30 DGEDHN CN1CC[C@H]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000274257227 432643828 /nfs/dbraw/zinc/64/38/28/432643828.db2.gz ZFKZGQIGDRIOQX-NHYWBVRUSA-N 0 3 309.335 3.107 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccc2F)CC1 ZINC000264426134 432644379 /nfs/dbraw/zinc/64/43/79/432644379.db2.gz VYEIYPBIFDNARP-UHFFFAOYSA-N 0 3 309.360 3.127 20 30 DGEDHN N#Cc1csc(CNCc2cccc(Cn3ccnc3)c2)c1 ZINC000177684404 432648852 /nfs/dbraw/zinc/64/88/52/432648852.db2.gz SJZOOGZFUPXQQO-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN CC#CCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000274299576 432648963 /nfs/dbraw/zinc/64/89/63/432648963.db2.gz RWRHVYJCCQPBGY-HKUYNNGSSA-N 0 3 310.441 3.323 20 30 DGEDHN C[C@@H](CNCc1cc(C#N)cs1)N1CCc2ccccc2C1 ZINC000177683229 432649640 /nfs/dbraw/zinc/64/96/40/432649640.db2.gz VPXQKEWTCWJIOI-AWEZNQCLSA-N 0 3 311.454 3.156 20 30 DGEDHN C=C(C)COCCNCc1cccc(Br)c1OC ZINC000187302611 432655424 /nfs/dbraw/zinc/65/54/24/432655424.db2.gz YYVPKVMLDLOBQB-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000274391164 432660703 /nfs/dbraw/zinc/66/07/03/432660703.db2.gz CGJGQKCPTGABGE-IFXJQAMLSA-N 0 3 311.404 3.478 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160206325 432709987 /nfs/dbraw/zinc/70/99/87/432709987.db2.gz PFQDHCSPIJOZLH-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN Cc1ccc(C#N)c(NC[C@@H](C)N2CCc3ccccc3C2)n1 ZINC000160507217 432724817 /nfs/dbraw/zinc/72/48/17/432724817.db2.gz HNVTVRUWQJWRAS-OAHLLOKOSA-N 0 3 306.413 3.120 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Cc2nccn2C)CC1 ZINC000187683833 432675799 /nfs/dbraw/zinc/67/57/99/432675799.db2.gz UPMZUCDIQDSLQU-HNNXBMFYSA-N 0 3 308.429 3.307 20 30 DGEDHN CC(C)Oc1ccc([C@@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000265221541 432677368 /nfs/dbraw/zinc/67/73/68/432677368.db2.gz HCMDQPLVOBSRBB-IBGZPJMESA-N 0 3 310.397 3.169 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1cccc(C#N)c1C ZINC000178544482 432751085 /nfs/dbraw/zinc/75/10/85/432751085.db2.gz ZFIWJUKBDKRYSI-INIZCTEOSA-N 0 3 314.433 3.253 20 30 DGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266182901 432753882 /nfs/dbraw/zinc/75/38/82/432753882.db2.gz AUOFXFPAQWUFFK-UHFFFAOYSA-N 0 3 305.378 3.056 20 30 DGEDHN C=C(C)CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000189052254 432760238 /nfs/dbraw/zinc/76/02/38/432760238.db2.gz PMUJNHZIAPOQFB-UHFFFAOYSA-N 0 3 306.207 3.301 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CCC(C)C)CC1 ZINC000178727516 432771752 /nfs/dbraw/zinc/77/17/52/432771752.db2.gz PNTRUPHMYNTAOE-QGZVFWFLSA-N 0 3 307.482 3.247 20 30 DGEDHN Cc1ccc(C#N)c(NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000161451221 432780411 /nfs/dbraw/zinc/78/04/11/432780411.db2.gz UPXDBSMZMOFNFQ-SFHVURJKSA-N 0 3 306.413 3.338 20 30 DGEDHN COC[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237167850 432780433 /nfs/dbraw/zinc/78/04/33/432780433.db2.gz MOAVXHCBVFASLU-OAHLLOKOSA-N 0 3 310.397 3.262 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1 ZINC000277647365 432867061 /nfs/dbraw/zinc/86/70/61/432867061.db2.gz FCJLEYLVGMXHSR-IBGZPJMESA-N 0 3 313.372 3.051 20 30 DGEDHN CC(C)(C#N)CCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000277725947 432872843 /nfs/dbraw/zinc/87/28/43/432872843.db2.gz NSOPFODLJBQVTQ-QGZVFWFLSA-N 0 3 321.852 3.350 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000329919038 432883429 /nfs/dbraw/zinc/88/34/29/432883429.db2.gz RJVKVGQDBAEZIW-NFAWXSAZSA-N 0 3 317.820 3.117 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1C ZINC000330034737 432889675 /nfs/dbraw/zinc/88/96/75/432889675.db2.gz BFGCFBAPANRKIO-STQMWFEESA-N 0 3 304.438 3.118 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000268152757 432849838 /nfs/dbraw/zinc/84/98/38/432849838.db2.gz FMOZXQFOFVTIRP-UHFFFAOYSA-N 0 3 304.434 3.247 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCCN1CC)c1ccccc1 ZINC000245620525 432850217 /nfs/dbraw/zinc/85/02/17/432850217.db2.gz DZFQBUVKRCBLTG-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2cccc(NC(N)=O)c2)C1 ZINC000331290925 432938379 /nfs/dbraw/zinc/93/83/79/432938379.db2.gz KIDYTTGLNUWNOW-UHFFFAOYSA-N 0 3 318.421 3.018 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000279171740 432941693 /nfs/dbraw/zinc/94/16/93/432941693.db2.gz AGAOBTKTCWMNCQ-QRVBRYPASA-N 0 3 321.424 3.422 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000289297212 432942059 /nfs/dbraw/zinc/94/20/59/432942059.db2.gz HWMIRZGFZZFYGY-KRWDZBQOSA-N 0 3 314.429 3.015 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000278535575 432897194 /nfs/dbraw/zinc/89/71/94/432897194.db2.gz FPYKXSCWVHCSQM-AEFFLSMTSA-N 0 3 301.409 3.026 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000278600695 432897884 /nfs/dbraw/zinc/89/78/84/432897884.db2.gz LWASGXAIANAFBT-UNEWFSDZSA-N 0 3 300.377 3.413 20 30 DGEDHN C[C@H](CC1CCCCC1)NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330232597 432898331 /nfs/dbraw/zinc/89/83/31/432898331.db2.gz RSIRFGXCACZXBO-HIFRSBDPSA-N 0 3 304.438 3.060 20 30 DGEDHN C[C@H](CC1CCCCC1)[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330232597 432898332 /nfs/dbraw/zinc/89/83/32/432898332.db2.gz RSIRFGXCACZXBO-HIFRSBDPSA-N 0 3 304.438 3.060 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000278609622 432898534 /nfs/dbraw/zinc/89/85/34/432898534.db2.gz MMGBXLNAAKONAV-GUYCJALGSA-N 0 3 315.392 3.168 20 30 DGEDHN O=C(N[C@H](CCO)C1CCCCC1)C1CCN(C2CC2)CC1 ZINC000330238941 432899842 /nfs/dbraw/zinc/89/98/42/432899842.db2.gz VIYLHIVIMBBLTI-QGZVFWFLSA-N 0 3 308.466 3.149 20 30 DGEDHN C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000330349989 432904482 /nfs/dbraw/zinc/90/44/82/432904482.db2.gz KOHZGIXGKWCKDI-GDBMZVCRSA-N 0 3 304.438 3.025 20 30 DGEDHN CCn1nc(C)c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1C ZINC000330453637 432910723 /nfs/dbraw/zinc/91/07/23/432910723.db2.gz LTYOCPYWMORSIN-CYBMUJFWSA-N 0 3 320.481 3.335 20 30 DGEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2nc(C)oc2C)C1 ZINC000330490717 432912659 /nfs/dbraw/zinc/91/26/59/432912659.db2.gz NXCVIQCRBAGYPU-CQSZACIVSA-N 0 3 307.438 3.497 20 30 DGEDHN CC(C)(C)CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000330627476 432920708 /nfs/dbraw/zinc/92/07/08/432920708.db2.gz KEPDDIVFOOJSMP-UHFFFAOYSA-N 0 3 318.465 3.238 20 30 DGEDHN CC1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279444290 432970969 /nfs/dbraw/zinc/97/09/69/432970969.db2.gz YWHKYAKJZPCRNJ-IUPXNIOVSA-N 0 3 309.413 3.183 20 30 DGEDHN C=CCN1CCC(N[C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289634149 432971108 /nfs/dbraw/zinc/97/11/08/432971108.db2.gz HLRSGDADAXRHHN-KRWDZBQOSA-N 0 3 308.853 3.268 20 30 DGEDHN C=C[C@H](CO)N[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000289726523 432973535 /nfs/dbraw/zinc/97/35/35/432973535.db2.gz JWXHIRHYLXSIIR-NOZJJQNGSA-N 0 3 316.626 3.226 20 30 DGEDHN Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)c1 ZINC000279585746 432987939 /nfs/dbraw/zinc/98/79/39/432987939.db2.gz CXFONQVXWSKAKG-LJQANCHMSA-N 0 3 317.392 3.174 20 30 DGEDHN Cc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279737678 432991814 /nfs/dbraw/zinc/99/18/14/432991814.db2.gz OLILIWJQEZIHOK-HNAYVOBHSA-N 0 3 317.392 3.426 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000297591169 432999192 /nfs/dbraw/zinc/99/91/92/432999192.db2.gz FKFXSHRBXNGWRA-RDJZCZTQSA-N 0 3 300.446 3.225 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279266672 432951309 /nfs/dbraw/zinc/95/13/09/432951309.db2.gz MVVNNTJTXCCCGS-RISCZKNCSA-N 0 3 305.809 3.318 20 30 DGEDHN N#Cc1cccc(OC2CCN(CC3CCC(=O)CC3)CC2)c1 ZINC000297080969 432956600 /nfs/dbraw/zinc/95/66/00/432956600.db2.gz JVOVQVBMWSUYHW-UHFFFAOYSA-N 0 3 312.413 3.161 20 30 DGEDHN C=CCC[C@@H](NCc1ccc(S(=O)(=O)CC)s1)C1CC1 ZINC000280184232 433011726 /nfs/dbraw/zinc/01/17/26/433011726.db2.gz RURXVPFQSCOTID-CQSZACIVSA-N 0 3 313.488 3.376 20 30 DGEDHN CC[C@@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332297 433035447 /nfs/dbraw/zinc/03/54/47/433035447.db2.gz JHGIBWHSCNELQJ-HKUYNNGSSA-N 0 3 309.413 3.279 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1cccs1 ZINC000298079882 433047671 /nfs/dbraw/zinc/04/76/71/433047671.db2.gz ISUXRYXHMIUGDT-HNNXBMFYSA-N 0 3 303.406 3.151 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000453331626 433096065 /nfs/dbraw/zinc/09/60/65/433096065.db2.gz BZSPLVCJQGXAAE-DFBGVHRSSA-N 0 3 309.381 3.227 20 30 DGEDHN CCc1ccccc1[C@H](N)CNc1cc(C(C)=O)ccc1C#N ZINC000420289571 433147616 /nfs/dbraw/zinc/14/76/16/433147616.db2.gz ZOZPQDULNRSQDQ-GOSISDBHSA-N 0 3 307.397 3.435 20 30 DGEDHN C=CCCC[C@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373450450 433151854 /nfs/dbraw/zinc/15/18/54/433151854.db2.gz ZBQGHIPUQZCHMU-SWLSCSKDSA-N 0 3 311.422 3.379 20 30 DGEDHN C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000425119929 433101294 /nfs/dbraw/zinc/10/12/94/433101294.db2.gz AKQVEGVEFCWGRG-JKSUJKDBSA-N 0 3 313.445 3.342 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000453342085 433103935 /nfs/dbraw/zinc/10/39/35/433103935.db2.gz FQCIUHXGWVVLJJ-KBPBESRZSA-N 0 3 321.417 3.059 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000280613349 433108515 /nfs/dbraw/zinc/10/85/15/433108515.db2.gz KFVWMJVHGMVCHJ-DOMZBBRYSA-N 0 3 310.781 3.319 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C)[C@H]1C ZINC000361332337 433114455 /nfs/dbraw/zinc/11/44/55/433114455.db2.gz RXHRMUHUBWBTRB-YLADIXGZSA-N 0 3 305.466 3.036 20 30 DGEDHN Cc1nnc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000336711966 433186585 /nfs/dbraw/zinc/18/65/85/433186585.db2.gz QFUXMOFVPRHOFO-MAUKXSAKSA-N 0 3 321.428 3.040 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453456740 433195666 /nfs/dbraw/zinc/19/56/66/433195666.db2.gz VUTRTLSAQDGGES-INIZCTEOSA-N 0 3 319.497 3.116 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](CCCC)c2ccc(OC)cc2)C1=O ZINC000337183103 433210873 /nfs/dbraw/zinc/21/08/73/433210873.db2.gz NKDGEPZNRVNDAC-ROUUACIJSA-N 0 3 316.445 3.303 20 30 DGEDHN CC(C)CN(Cc1cc(C#N)n(C)c1)Cc1ccc(C#N)cc1 ZINC000361510522 433215190 /nfs/dbraw/zinc/21/51/90/433215190.db2.gz IWMAJHQWKRTXNM-UHFFFAOYSA-N 0 3 306.413 3.427 20 30 DGEDHN C=CCOc1ccc(CNC[C@@](C)(OC)C2CC2)cc1OC ZINC000291072322 433220118 /nfs/dbraw/zinc/22/01/18/433220118.db2.gz RZOKBUIFYORYEF-GOSISDBHSA-N 0 3 305.418 3.165 20 30 DGEDHN CC(C)C[C@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000354693289 433220068 /nfs/dbraw/zinc/22/00/68/433220068.db2.gz YECJAWHTMNETQJ-MRXNPFEDSA-N 0 3 305.466 3.182 20 30 DGEDHN CCN(Cc1ccc(OC)c(OCCCC#N)c1)C[C@H](C)OC ZINC000291087987 433220201 /nfs/dbraw/zinc/22/02/01/433220201.db2.gz OVMXGXGEKTYGCS-HNNXBMFYSA-N 0 3 320.433 3.235 20 30 DGEDHN CC(C)C[C@@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000354693282 433222307 /nfs/dbraw/zinc/22/23/07/433222307.db2.gz YECJAWHTMNETQJ-INIZCTEOSA-N 0 3 305.466 3.182 20 30 DGEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2OC)cc1 ZINC000337455301 433237545 /nfs/dbraw/zinc/23/75/45/433237545.db2.gz JBCDQPISMSTYDD-FZKQIMNGSA-N 0 3 324.380 3.069 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CCCC(C)(C)C#N ZINC000337458242 433238418 /nfs/dbraw/zinc/23/84/18/433238418.db2.gz PZRTUSAOKZSSJU-INIZCTEOSA-N 0 3 315.461 3.468 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2nccc(C#N)c2Cl)C1 ZINC000341729034 433238638 /nfs/dbraw/zinc/23/86/38/433238638.db2.gz LUGTVQPLZRAGOR-VNHYZAJKSA-N 0 3 318.852 3.448 20 30 DGEDHN CC(C)[C@@H](CNc1cc(C#N)ccn1)N1CCc2ccccc2C1 ZINC000341739839 433246786 /nfs/dbraw/zinc/24/67/86/433246786.db2.gz AEONVWIVVUATLN-LJQANCHMSA-N 0 3 320.440 3.448 20 30 DGEDHN COc1ccc(CNC[C@H]2CC[C@H](C)O2)cc1OCCCC#N ZINC000453630681 433248268 /nfs/dbraw/zinc/24/82/68/433248268.db2.gz MIYWVDLBAMRJSC-GOEBONIOSA-N 0 3 318.417 3.035 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C3CCCC3)C2)CC1 ZINC000420793162 433259542 /nfs/dbraw/zinc/25/95/42/433259542.db2.gz QILBGCIYKKNFJY-KRWDZBQOSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CCC[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000420821815 433267961 /nfs/dbraw/zinc/26/79/61/433267961.db2.gz SAWKKPRWBVSEAB-ZWKOTPCHSA-N 0 3 315.461 3.430 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000413943835 433319896 /nfs/dbraw/zinc/31/98/96/433319896.db2.gz YYDIYTFBLBOIAU-SFHVURJKSA-N 0 3 320.433 3.176 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCCC[C@H]1C ZINC000338357648 433292625 /nfs/dbraw/zinc/29/26/25/433292625.db2.gz ROZJDSGTADGUHY-CHWSQXEVSA-N 0 3 318.396 3.082 20 30 DGEDHN CC[C@H]1CCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447849889 433299576 /nfs/dbraw/zinc/29/95/76/433299576.db2.gz KCIRHDIFXKNITJ-FUHWJXTLSA-N 0 3 311.429 3.318 20 30 DGEDHN CC(C)[C@@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447851607 433305469 /nfs/dbraw/zinc/30/54/69/433305469.db2.gz TWZQVYHNLREAGX-ZWKOTPCHSA-N 0 3 311.429 3.174 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299206881 433350464 /nfs/dbraw/zinc/35/04/64/433350464.db2.gz GYNMYDDRVFKKAR-ZDUSSCGKSA-N 0 3 303.362 3.130 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)cc1 ZINC000299389087 433361705 /nfs/dbraw/zinc/36/17/05/433361705.db2.gz IWOWIUDOUHPODQ-LSDHHAIUSA-N 0 3 304.434 3.159 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375012519 433334298 /nfs/dbraw/zinc/33/42/98/433334298.db2.gz LPWXIXRUDHLYKI-IAGOWNOFSA-N 0 3 314.429 3.205 20 30 DGEDHN CC(C)OCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000413984713 433336499 /nfs/dbraw/zinc/33/64/99/433336499.db2.gz FXXTZIGNSKGZOJ-MRXNPFEDSA-N 0 3 302.418 3.079 20 30 DGEDHN COc1cc(CN[C@@H](C)C[C@@H](O)c2cccs2)ccc1C#N ZINC000281816440 433393664 /nfs/dbraw/zinc/39/36/64/433393664.db2.gz WNFWGEIPTUUWTO-SWLSCSKDSA-N 0 3 316.426 3.230 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCC#N ZINC000291928368 433399615 /nfs/dbraw/zinc/39/96/15/433399615.db2.gz OEGLTMPBFQBSIC-KRWDZBQOSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000454380445 433401324 /nfs/dbraw/zinc/40/13/24/433401324.db2.gz UUNWKXSCYGGPTK-NVXWUHKLSA-N 0 3 301.434 3.087 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(c3c[nH]nc3C)CC2)cc1 ZINC000375273003 433409827 /nfs/dbraw/zinc/40/98/27/433409827.db2.gz VZSQHQSGUACADB-UHFFFAOYSA-N 0 3 323.440 3.500 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000454460359 433436843 /nfs/dbraw/zinc/43/68/43/433436843.db2.gz IDNDEOFCPFEUED-WMZOPIPTSA-N 0 3 307.482 3.151 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2CC)CC1 ZINC000454463500 433437720 /nfs/dbraw/zinc/43/77/20/433437720.db2.gz LRGLKLKULHPZTL-HOTGVXAUSA-N 0 3 307.482 3.152 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCC(O)(C(F)F)CC1 ZINC000426237993 433447898 /nfs/dbraw/zinc/44/78/98/433447898.db2.gz MPNJZKDNRVNXGQ-UHFFFAOYSA-N 0 3 308.372 3.080 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375437686 433460523 /nfs/dbraw/zinc/46/05/23/433460523.db2.gz MHKNEKVADYEXGN-LRDDRELGSA-N 0 3 308.385 3.369 20 30 DGEDHN CN1CCN(CCCC2(C#N)CCOCC2)C2(CCCCC2)C1 ZINC000366896745 290042232 /nfs/dbraw/zinc/04/22/32/290042232.db2.gz NMLAXLCSMYYALE-UHFFFAOYSA-N 0 3 319.493 3.037 20 30 DGEDHN CC1CCC(N2CCN(c3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC000301269111 433480216 /nfs/dbraw/zinc/48/02/16/433480216.db2.gz HEXPDKKSRWPTOV-UHFFFAOYSA-N 0 3 318.852 3.307 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000454613293 433515272 /nfs/dbraw/zinc/51/52/72/433515272.db2.gz XXLAGBMGDQBHNF-FUHWJXTLSA-N 0 3 315.461 3.305 20 30 DGEDHN N#Cc1ccc(CNCC2(CO)CC(c3ccccc3)C2)cc1F ZINC000421383904 433529784 /nfs/dbraw/zinc/52/97/84/433529784.db2.gz JTJKGSKFFQQMMB-UHFFFAOYSA-N 0 3 324.399 3.343 20 30 DGEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)c(F)c2)cc1C ZINC000421387500 433535058 /nfs/dbraw/zinc/53/50/58/433535058.db2.gz TWYMESVVYINPKG-SFHVURJKSA-N 0 3 312.388 3.007 20 30 DGEDHN CO[C@]1(C)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000355209348 433536403 /nfs/dbraw/zinc/53/64/03/433536403.db2.gz AUNXJWBERNWURA-GOSISDBHSA-N 0 3 302.418 3.370 20 30 DGEDHN C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(C#N)s1 ZINC000421351529 433492539 /nfs/dbraw/zinc/49/25/39/433492539.db2.gz MOSSUTYRBITLSQ-LLVKDONJSA-N 0 3 317.389 3.266 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000421349972 433493387 /nfs/dbraw/zinc/49/33/87/433493387.db2.gz YDPVUXRTZPKVQZ-AUUYWEPGSA-N 0 3 311.404 3.478 20 30 DGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)c(F)c2)o1 ZINC000421352770 433495838 /nfs/dbraw/zinc/49/58/38/433495838.db2.gz DUDHKBNNJLPPPM-UHFFFAOYSA-N 0 3 315.392 3.163 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000454584996 433497482 /nfs/dbraw/zinc/49/74/82/433497482.db2.gz FKUUMGMAOFBKMF-AEFFLSMTSA-N 0 3 315.461 3.305 20 30 DGEDHN CN(C)CCN(Cc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000421360466 433507522 /nfs/dbraw/zinc/50/75/22/433507522.db2.gz ZVOAMPRECPPWAV-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000375740435 433550113 /nfs/dbraw/zinc/55/01/13/433550113.db2.gz FGAIDPOZLNWDHO-DFQSSKMNSA-N 0 3 323.440 3.338 20 30 DGEDHN CN(C)CC1(NC(=O)Nc2ccc(CC#N)cc2Cl)CCC1 ZINC000455725716 433552825 /nfs/dbraw/zinc/55/28/25/433552825.db2.gz DCUDKPCOYWTSJC-UHFFFAOYSA-N 0 3 320.824 3.012 20 30 DGEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)Cc2ccccc2O1 ZINC000292329141 433556513 /nfs/dbraw/zinc/55/65/13/433556513.db2.gz FWWNLTWGJDOAAV-MRXNPFEDSA-N 0 3 314.429 3.370 20 30 DGEDHN Cc1occc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000414345525 433561308 /nfs/dbraw/zinc/56/13/08/433561308.db2.gz LJCMIWKLGZSDIV-INIZCTEOSA-N 0 3 313.376 3.357 20 30 DGEDHN Cc1occc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000414371349 433577144 /nfs/dbraw/zinc/57/71/44/433577144.db2.gz IDXZZRGVCILSJO-UHFFFAOYSA-N 0 3 323.396 3.310 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292304593 433544054 /nfs/dbraw/zinc/54/40/54/433544054.db2.gz SECQKVOKLPJZME-AZUAARDMSA-N 0 3 312.457 3.291 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000455697187 433547599 /nfs/dbraw/zinc/54/75/99/433547599.db2.gz DIJJPYATIGMPNS-WCQYABFASA-N 0 3 320.824 3.010 20 30 DGEDHN C=CCC1(C(=O)N2CCC(OCCN(C)C)CC2)CCCCC1 ZINC000448967878 433633779 /nfs/dbraw/zinc/63/37/79/433633779.db2.gz FALHYVQPCBRJQD-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)C[C@@H]1CC=CCC1 ZINC000362260639 433608777 /nfs/dbraw/zinc/60/87/77/433608777.db2.gz IJMQBQINQGXRGD-MRXNPFEDSA-N 0 3 314.429 3.372 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2cc3ccccc3s2)CC1 ZINC000448924802 433615004 /nfs/dbraw/zinc/61/50/04/433615004.db2.gz ZMQLINNUIBSETO-UHFFFAOYSA-N 0 3 314.454 3.210 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC000448924620 433615287 /nfs/dbraw/zinc/61/52/87/433615287.db2.gz YVAIIYAWQVZXDS-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000362335770 433652865 /nfs/dbraw/zinc/65/28/65/433652865.db2.gz MCOGKDZNFXCICL-LIRRHRJNSA-N 0 3 324.428 3.357 20 30 DGEDHN CN(C)CCN(Cc1ccc(F)cc1)c1cccc(F)c1C#N ZINC000301651160 433659214 /nfs/dbraw/zinc/65/92/14/433659214.db2.gz QBNRQGDTKVBGDI-UHFFFAOYSA-N 0 3 315.367 3.405 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000362388981 433681385 /nfs/dbraw/zinc/68/13/85/433681385.db2.gz LDVGLQQYZUZGOM-CQSZACIVSA-N 0 3 304.459 3.131 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000362389090 433681623 /nfs/dbraw/zinc/68/16/23/433681623.db2.gz LVVZUVZKWZBLCO-BBRMVZONSA-N 0 3 316.470 3.177 20 30 DGEDHN CC[C@]1(C)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000362389575 433684052 /nfs/dbraw/zinc/68/40/52/433684052.db2.gz ANBMVODXTBAKPT-GOSISDBHSA-N 0 3 302.418 3.458 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000362388853 433684303 /nfs/dbraw/zinc/68/43/03/433684303.db2.gz JWROOKJMIFBIOR-KBPBESRZSA-N 0 3 304.459 3.177 20 30 DGEDHN Cc1nc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(Cl)cc1C#N ZINC000488742602 293298057 /nfs/dbraw/zinc/29/80/57/293298057.db2.gz FSIHJYUGUQBCGZ-BFQNTYOBSA-N 0 3 318.852 3.082 20 30 DGEDHN N#Cc1ccc(CN(C[C@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000293362592 433714820 /nfs/dbraw/zinc/71/48/20/433714820.db2.gz FDRULRAWRXBKKP-HXUWFJFHSA-N 0 3 324.399 3.265 20 30 DGEDHN CN(CCOCc1ccccc1)CCOc1ccc(C#N)cc1 ZINC000362456427 433729018 /nfs/dbraw/zinc/72/90/18/433729018.db2.gz VPRMAAZCBIJHFC-UHFFFAOYSA-N 0 3 310.397 3.086 20 30 DGEDHN C=C(CNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1)c1ccccc1 ZINC000351807260 433730256 /nfs/dbraw/zinc/73/02/56/433730256.db2.gz JFZHJRUVTVVDME-RDJZCZTQSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H](CO)[C@H]2C)ccc1OC ZINC000414584931 433735333 /nfs/dbraw/zinc/73/53/33/433735333.db2.gz TXIJTUJAGWWWAN-WBVHZDCISA-N 0 3 319.445 3.243 20 30 DGEDHN COc1ccccc1[C@H]1CC[C@H](C)CN1CCOCCC#N ZINC000293445006 433740969 /nfs/dbraw/zinc/74/09/69/433740969.db2.gz CENITBZIZSMTKH-DOTOQJQBSA-N 0 3 302.418 3.398 20 30 DGEDHN N#CCCOCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000293466522 433748933 /nfs/dbraw/zinc/74/89/33/433748933.db2.gz DQHAUTUPVPFQPG-OAHLLOKOSA-N 0 3 310.850 3.437 20 30 DGEDHN CCN1CCCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428128714 433753005 /nfs/dbraw/zinc/75/30/05/433753005.db2.gz DGYONYQURBSOCZ-UHFFFAOYSA-N 0 3 312.461 3.099 20 30 DGEDHN COC[C@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000449761458 433772194 /nfs/dbraw/zinc/77/21/94/433772194.db2.gz XSDKHGNYRIUVSD-QGZVFWFLSA-N 0 3 302.418 3.370 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000429732706 433778511 /nfs/dbraw/zinc/77/85/11/433778511.db2.gz YEGKVFKQRWIUBN-KRWDZBQOSA-N 0 3 317.477 3.070 20 30 DGEDHN C[C@H](Nc1nccc(C#N)c1Cl)[C@@H](c1ccccc1)N(C)C ZINC000343098803 433780246 /nfs/dbraw/zinc/78/02/46/433780246.db2.gz LFFQDJPLSNKCMO-LRDDRELGSA-N 0 3 314.820 3.710 20 30 DGEDHN C[C@H](Cc1cccc(O)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456704631 433782825 /nfs/dbraw/zinc/78/28/25/433782825.db2.gz SZFGSJVCKFQYOA-CRAIPNDOSA-N 0 3 322.408 3.212 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000429792106 433784685 /nfs/dbraw/zinc/78/46/85/433784685.db2.gz UDIPYVRZGWXFHF-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@H](CCCO)C2)ccc1OC ZINC000449787455 433796544 /nfs/dbraw/zinc/79/65/44/433796544.db2.gz ACAIPFXYUCJRNW-MRXNPFEDSA-N 0 3 319.445 3.245 20 30 DGEDHN C[C@@H]1[C@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)CCCN1C ZINC000343450067 433805533 /nfs/dbraw/zinc/80/55/33/433805533.db2.gz DZZSWLJBBYFJNA-MEBBXXQBSA-N 0 3 316.355 3.279 20 30 DGEDHN Cc1c(Cl)cnc(NC[C@@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000343508027 433812272 /nfs/dbraw/zinc/81/22/72/433812272.db2.gz IETKKEKVGQKBLN-NWDGAFQWSA-N 0 3 306.841 3.590 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)Cc2ccccc2)CCCC1 ZINC000449808341 433816371 /nfs/dbraw/zinc/81/63/71/433816371.db2.gz YVOMCUWHDRJQLI-UHFFFAOYSA-N 0 3 300.446 3.371 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2c(s1)C[C@H](C)CC2 ZINC000435749762 433876594 /nfs/dbraw/zinc/87/65/94/433876594.db2.gz VNIMEUZAVUADNT-XNJGSVPQSA-N 0 3 306.475 3.339 20 30 DGEDHN CC[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000343907578 433835309 /nfs/dbraw/zinc/83/53/09/433835309.db2.gz AMIFJTRTPQRSNK-YJBOKZPZSA-N 0 3 311.429 3.176 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000376882491 433837274 /nfs/dbraw/zinc/83/72/74/433837274.db2.gz RRFBKBZNVPMSHC-WMZOPIPTSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(CC)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000456811967 433838242 /nfs/dbraw/zinc/83/82/42/433838242.db2.gz LKYLWOHXBAKIEI-INIZCTEOSA-N 0 3 322.399 3.226 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000377062880 433846452 /nfs/dbraw/zinc/84/64/52/433846452.db2.gz TUCVNXQHKGLRKX-HNNXBMFYSA-N 0 3 321.380 3.085 20 30 DGEDHN CC(C)[C@H](CNc1cccnc1C#N)N1CCc2ccccc2C1 ZINC000357195301 433902922 /nfs/dbraw/zinc/90/29/22/433902922.db2.gz YIZDKAYKYJLRJG-FQEVSTJZSA-N 0 3 320.440 3.448 20 30 DGEDHN CCOc1ccc([C@@H](COC)NCCCSCC#N)cc1 ZINC000284921130 433906974 /nfs/dbraw/zinc/90/69/74/433906974.db2.gz XSVGAFPEJBXUKT-MRXNPFEDSA-N 0 3 308.447 3.009 20 30 DGEDHN C=CCCC[C@@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436256493 433917188 /nfs/dbraw/zinc/91/71/88/433917188.db2.gz ACRLWRWUWWCIHQ-RLLQIKCJSA-N 0 3 314.473 3.316 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Cl)cn1C)C(C)C ZINC000344799121 433881750 /nfs/dbraw/zinc/88/17/50/433881750.db2.gz XBCNVBOJBMMHPU-MRXNPFEDSA-N 0 3 323.868 3.107 20 30 DGEDHN Cc1nsc(NC[C@@H](c2ccc(C)cc2)N(C)C)c1C#N ZINC000340013421 433886185 /nfs/dbraw/zinc/88/61/85/433886185.db2.gz GKUXTVCPCNJCOB-HNNXBMFYSA-N 0 3 300.431 3.346 20 30 DGEDHN CC(C)[C@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000293995910 433954967 /nfs/dbraw/zinc/95/49/67/433954967.db2.gz RSFRGQZBXNHHRV-DLBZAZTESA-N 0 3 309.413 3.134 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CCCCC3)C2)cc1 ZINC000294032795 433971356 /nfs/dbraw/zinc/97/13/56/433971356.db2.gz FUNDEXLOQJGPBB-SFHVURJKSA-N 0 3 321.424 3.279 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(OC)c(C#N)c2)C1(C)C ZINC000340196743 433982037 /nfs/dbraw/zinc/98/20/37/433982037.db2.gz HXKOVUPENOJARW-DLBZAZTESA-N 0 3 302.418 3.202 20 30 DGEDHN N#Cc1cccc(CNc2ccccc2CN2CCC(O)CC2)c1 ZINC000304247099 433989996 /nfs/dbraw/zinc/98/99/96/433989996.db2.gz ONXXOODVQKEPOQ-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@H](SCC)C1 ZINC000303439021 433939005 /nfs/dbraw/zinc/93/90/05/433939005.db2.gz HAUWXAUVOPHTFL-CVEARBPZSA-N 0 3 312.523 3.407 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@@H](SCC)C1 ZINC000303439025 433939229 /nfs/dbraw/zinc/93/92/29/433939229.db2.gz HAUWXAUVOPHTFL-HZPDHXFCSA-N 0 3 312.523 3.407 20 30 DGEDHN CC[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(CC)CC ZINC000416095378 434015531 /nfs/dbraw/zinc/01/55/31/434015531.db2.gz GWZMALDUJQNICP-ROUUACIJSA-N 0 3 313.445 3.172 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)[C@@](C)(C#N)CC)c1ccccc1 ZINC000285664581 434031690 /nfs/dbraw/zinc/03/16/90/434031690.db2.gz YYFWSKDRNSDSKL-SJLPKXTDSA-N 0 3 301.434 3.126 20 30 DGEDHN CC(C)(C)CCN1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000352886729 434062168 /nfs/dbraw/zinc/06/21/68/434062168.db2.gz QWRJRGMFBUOXNQ-UHFFFAOYSA-N 0 3 303.425 3.251 20 30 DGEDHN N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCCN1C1CCCC1)CC2 ZINC000450257154 434063633 /nfs/dbraw/zinc/06/36/33/434063633.db2.gz KEUSTUHDCOWJPF-GOSISDBHSA-N 0 3 323.440 3.244 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000294318377 434083389 /nfs/dbraw/zinc/08/33/89/434083389.db2.gz XSEGRCRVIHFUEX-CXAGYDPISA-N 0 3 300.377 3.413 20 30 DGEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C#N)cc4Cl)[C@H]1[C@H]3C2 ZINC000352683555 434048572 /nfs/dbraw/zinc/04/85/72/434048572.db2.gz UHUOWCFKEUYYAK-CUINURIISA-N 0 3 302.805 3.067 20 30 DGEDHN CC(C)(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000294234714 434050393 /nfs/dbraw/zinc/05/03/93/434050393.db2.gz RTRHBVLYRADXAP-MRXNPFEDSA-N 0 3 309.413 3.183 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416333600 434102885 /nfs/dbraw/zinc/10/28/85/434102885.db2.gz MNTWDXIBRJBFTB-GOSISDBHSA-N 0 3 320.433 3.176 20 30 DGEDHN CCCCCCCCC(=O)N1CCCN(CCCOC)CC1 ZINC000363657120 434110768 /nfs/dbraw/zinc/11/07/68/434110768.db2.gz VIGZPGHFTWIUQZ-UHFFFAOYSA-N 0 3 312.498 3.308 20 30 DGEDHN C=CCOc1ccc(CC(=O)Nc2ccc(CN(C)C)cc2)cc1 ZINC000294533819 434120044 /nfs/dbraw/zinc/12/00/44/434120044.db2.gz SDKYCWZPVBHWAE-UHFFFAOYSA-N 0 3 324.424 3.494 20 30 DGEDHN N#Cc1ccccc1OCCN1CCCN(c2ccccc2)CC1 ZINC000497488220 294031330 /nfs/dbraw/zinc/03/13/30/294031330.db2.gz FUQJMQXAPFVHIJ-UHFFFAOYSA-N 0 3 321.424 3.149 20 30 DGEDHN CCC[C@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000501139666 294133137 /nfs/dbraw/zinc/13/31/37/294133137.db2.gz CDDRVGIGIAPFSM-HNNXBMFYSA-N 0 3 308.429 3.417 20 30 DGEDHN CC(C)(NCCOCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000294652345 434126821 /nfs/dbraw/zinc/12/68/21/434126821.db2.gz QSHAQCWJSQIRMY-UHFFFAOYSA-N 0 3 316.323 3.340 20 30 DGEDHN CC1CCC(N2CCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000353470910 434155341 /nfs/dbraw/zinc/15/53/41/434155341.db2.gz MIZSMYALDVXKSA-UHFFFAOYSA-N 0 3 303.475 3.316 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000357819179 434200830 /nfs/dbraw/zinc/20/08/30/434200830.db2.gz KWIJTNWLNGNLKK-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN CN(CCCN(C)c1snc(Cl)c1C#N)Cc1ccco1 ZINC000286399542 434257750 /nfs/dbraw/zinc/25/77/50/434257750.db2.gz NCBZOQAWHPEYIS-UHFFFAOYSA-N 0 3 324.837 3.219 20 30 DGEDHN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000379769689 434266194 /nfs/dbraw/zinc/26/61/94/434266194.db2.gz PDRUUNFMDGWDOY-INIZCTEOSA-N 0 3 322.368 3.153 20 30 DGEDHN Cc1ccc(C#N)c(N2CCN(Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000324184810 434271257 /nfs/dbraw/zinc/27/12/57/434271257.db2.gz SWBYUUZEKXCIFM-MRXNPFEDSA-N 0 3 320.440 3.220 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381405218 434272129 /nfs/dbraw/zinc/27/21/29/434272129.db2.gz WIUQFGUULROLRV-GHMZBOCLSA-N 0 3 309.435 3.011 20 30 DGEDHN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353559674 434230910 /nfs/dbraw/zinc/23/09/10/434230910.db2.gz LJKVBFWLQIDBAF-HXUWFJFHSA-N 0 3 323.415 3.404 20 30 DGEDHN Cc1nc(N2CCN(Cc3ccccc3)C(C)(C)C2)ccc1C#N ZINC000383083016 434283354 /nfs/dbraw/zinc/28/33/54/434283354.db2.gz HKRDZEINDOZZNZ-UHFFFAOYSA-N 0 3 320.440 3.363 20 30 DGEDHN Cn1cc(CNCc2ccc(-c3cccnc3)cc2)cc1C#N ZINC000364843643 434285155 /nfs/dbraw/zinc/28/51/55/434285155.db2.gz LSOOJPWVSVPCCR-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN O=C(CN[C@@H]1CCC12CCC2)N[C@@H]1CCOc2ccccc21 ZINC000328648735 434290405 /nfs/dbraw/zinc/29/04/05/434290405.db2.gz IGTAIWDKWZMYMZ-GDBMZVCRSA-N 0 3 300.402 3.389 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000365247228 434291661 /nfs/dbraw/zinc/29/16/61/434291661.db2.gz ZWPZICZPERRYOO-GOSISDBHSA-N 0 3 304.409 3.439 20 30 DGEDHN CCN1CCC[C@@H](NC(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000328662263 434295946 /nfs/dbraw/zinc/29/59/46/434295946.db2.gz AQQBKRJOVOLARL-CYBMUJFWSA-N 0 3 307.438 3.346 20 30 DGEDHN C#CCCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000365272341 434297126 /nfs/dbraw/zinc/29/71/26/434297126.db2.gz IKOWANAVUFOLFC-OAQYLSRUSA-N 0 3 324.468 3.305 20 30 DGEDHN C[S@@](=O)Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353643559 434298350 /nfs/dbraw/zinc/29/83/50/434298350.db2.gz WWJCOWSZPHWKDM-WMZHIEFXSA-N 0 3 324.449 3.214 20 30 DGEDHN O=C(CCNC(=O)C1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000328732717 434304541 /nfs/dbraw/zinc/30/45/41/434304541.db2.gz JFPFRCBMKQPSOK-CQSZACIVSA-N 0 3 307.438 3.107 20 30 DGEDHN C[C@H](C1CCCCC1)N(C)C([O-])=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000328746764 434306435 /nfs/dbraw/zinc/30/64/35/434306435.db2.gz PWPPFUNFGHDAMA-CABCVRRESA-N 0 3 318.465 3.260 20 30 DGEDHN CCCN(C)[C@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1 ZINC000286539219 434276979 /nfs/dbraw/zinc/27/69/79/434276979.db2.gz YPXKLTZUVOMHCR-OAHLLOKOSA-N 0 3 321.852 3.389 20 30 DGEDHN Cc1cc(CNC(=O)[C@H]2CCCCN2C2CCCC2)nc(C)n1 ZINC000329136615 434365211 /nfs/dbraw/zinc/36/52/11/434365211.db2.gz HCCKRHXAQQOCDV-QGZVFWFLSA-N 0 3 316.449 3.347 20 30 DGEDHN C[C@@]1(O)CCCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000366245727 434370479 /nfs/dbraw/zinc/37/04/79/434370479.db2.gz CQWJAAFMJSFOMF-GOSISDBHSA-N 0 3 302.418 3.106 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000358231112 434389524 /nfs/dbraw/zinc/38/95/24/434389524.db2.gz OUVYEMQQGJUGOH-GMSGAONNSA-N 0 3 322.233 3.167 20 30 DGEDHN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)[C@@H]1CCC[C@H]1O ZINC000329057021 434349740 /nfs/dbraw/zinc/34/97/40/434349740.db2.gz IKUPEHIFLMITFI-WVDBNPHFSA-N 0 3 320.477 3.145 20 30 DGEDHN C=CCN1CCC(NC(=O)N2Cc3cccc(Cl)c3C2)CC1 ZINC000287586858 434403605 /nfs/dbraw/zinc/40/36/05/434403605.db2.gz XTXUDDMPBSTDEI-UHFFFAOYSA-N 0 3 319.836 3.016 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCCN(C)C1CC1 ZINC000329442612 434412277 /nfs/dbraw/zinc/41/22/77/434412277.db2.gz NGWJSFXKVATPSU-OAHLLOKOSA-N 0 3 319.449 3.199 20 30 DGEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000353774921 434418705 /nfs/dbraw/zinc/41/87/05/434418705.db2.gz JYYWFDBMXJINJZ-CXMBCZLWSA-N 0 3 317.408 3.041 20 30 DGEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000353774923 434420882 /nfs/dbraw/zinc/42/08/82/434420882.db2.gz JYYWFDBMXJINJZ-XNJJOIOASA-N 0 3 317.408 3.041 20 30 DGEDHN Cc1ccc([C@H]2OCCC[C@@H]2NCc2cc(C#N)n(C)c2)cc1 ZINC000359745101 434425342 /nfs/dbraw/zinc/42/53/42/434425342.db2.gz KCVRBOFXFISTSM-RBUKOAKNSA-N 0 3 309.413 3.215 20 30 DGEDHN CC(C)=CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295710417 434433102 /nfs/dbraw/zinc/43/31/02/434433102.db2.gz WKSZWIXRCSWMKF-QAPCUYQASA-N 0 3 309.413 3.492 20 30 DGEDHN CC[C@@H]1Cc2ccccc2CN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329744070 434471334 /nfs/dbraw/zinc/47/13/34/434471334.db2.gz QMMLIRPIZBUXPU-HZPDHXFCSA-N 0 3 324.428 3.018 20 30 DGEDHN CC[C@@H]1Cc2ccccc2CN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329744070 434471344 /nfs/dbraw/zinc/47/13/44/434471344.db2.gz QMMLIRPIZBUXPU-HZPDHXFCSA-N 0 3 324.428 3.018 20 30 DGEDHN CC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000341032275 434498953 /nfs/dbraw/zinc/49/89/53/434498953.db2.gz DWDCPNHDNSBZEI-LJQANCHMSA-N 0 3 321.424 3.224 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2OC)C12CCC2 ZINC000296118545 434516936 /nfs/dbraw/zinc/51/69/36/434516936.db2.gz IPOOYTMVXYXNBO-IAGOWNOFSA-N 0 3 300.402 3.004 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458191740 434520012 /nfs/dbraw/zinc/52/00/12/434520012.db2.gz BBJFSGYJEHFCJQ-SFHVURJKSA-N 0 3 304.434 3.476 20 30 DGEDHN CN(C)CCN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000348902718 434548026 /nfs/dbraw/zinc/54/80/26/434548026.db2.gz DOZPGOWXNRWATD-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN N#CCCCN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000367592695 434552015 /nfs/dbraw/zinc/55/20/15/434552015.db2.gz DMNZTWNOFSVILW-OAHLLOKOSA-N 0 3 312.335 3.300 20 30 DGEDHN CSC1(CN2CCC(C#N)(c3ccccn3)CC2)CCC1 ZINC000368224968 434567887 /nfs/dbraw/zinc/56/78/87/434567887.db2.gz LGJHWCBOBFKFOK-UHFFFAOYSA-N 0 3 301.459 3.224 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000368436412 434575519 /nfs/dbraw/zinc/57/55/19/434575519.db2.gz AQHGOZNMFPKIOV-HNNXBMFYSA-N 0 3 315.465 3.124 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CCCC2)C1 ZINC000408441310 434576656 /nfs/dbraw/zinc/57/66/56/434576656.db2.gz CZTLHEKAQWREKV-WBVHZDCISA-N 0 3 305.466 3.086 20 30 DGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccccc1 ZINC000528336827 295200748 /nfs/dbraw/zinc/20/07/48/295200748.db2.gz ISADXYUXXACOAT-RBUKOAKNSA-N 0 3 322.408 3.135 20 30 DGEDHN C/C(Cl)=C/CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000528342052 295201105 /nfs/dbraw/zinc/20/11/05/295201105.db2.gz ZYXDHRVRLZILOA-CHHVJCJISA-N 0 3 303.837 3.209 20 30 DGEDHN CN(CCn1cc(C#N)c(=O)c2ccccc21)Cc1ccccc1 ZINC000439269517 434582499 /nfs/dbraw/zinc/58/24/99/434582499.db2.gz FCDUPDQDRIBDQT-UHFFFAOYSA-N 0 3 317.392 3.005 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@]2(CCSC2)C1 ZINC000451963740 434583793 /nfs/dbraw/zinc/58/37/93/434583793.db2.gz IWFUODACYDOTGP-WBVHZDCISA-N 0 3 310.507 3.019 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439334935 434595455 /nfs/dbraw/zinc/59/54/55/434595455.db2.gz XLZRIUASAOPZHF-MJGOQNOKSA-N 0 3 312.457 3.455 20 30 DGEDHN CCc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424063711 434613182 /nfs/dbraw/zinc/61/31/82/434613182.db2.gz INKKVNULHLTYGW-IAGOWNOFSA-N 0 3 301.434 3.083 20 30 DGEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H](O)c1cccc(F)c1 ZINC000370474868 434613911 /nfs/dbraw/zinc/61/39/11/434613911.db2.gz CMZJXXATAIMVTC-ZIQQEGCCSA-N 0 3 324.399 3.461 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000424075957 434615176 /nfs/dbraw/zinc/61/51/76/434615176.db2.gz KOYZACKZLZIRLJ-QGZVFWFLSA-N 0 3 307.397 3.237 20 30 DGEDHN CCCc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424071030 434615971 /nfs/dbraw/zinc/61/59/71/434615971.db2.gz YWNGSUTWPSISMU-MSOLQXFVSA-N 0 3 315.461 3.474 20 30 DGEDHN CCCN(C(=O)[C@@H](N)CCCC#N)[C@@H](CC)c1ccccc1 ZINC000424084163 434616646 /nfs/dbraw/zinc/61/66/46/434616646.db2.gz DOAVDXYYHGVTAA-IRXDYDNUSA-N 0 3 301.434 3.397 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418247736 434617269 /nfs/dbraw/zinc/61/72/69/434617269.db2.gz GXSZXPPVXCAUSI-INIZCTEOSA-N 0 3 303.450 3.321 20 30 DGEDHN COc1ccccc1-c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424091519 434619330 /nfs/dbraw/zinc/61/93/30/434619330.db2.gz ZROLVJMQYFVRGG-QGZVFWFLSA-N 0 3 323.396 3.322 20 30 DGEDHN CC(C)c1nc2ccc(NC(=O)[C@H](N)CCCC#N)cc2s1 ZINC000424102823 434623348 /nfs/dbraw/zinc/62/33/48/434623348.db2.gz BUROXCSHSQDVGU-GFCCVEGCSA-N 0 3 316.430 3.379 20 30 DGEDHN Cc1cccc(-c2cccc(CNC(=O)[C@@H](N)CCCC#N)c2)c1 ZINC000424116016 434624563 /nfs/dbraw/zinc/62/45/63/434624563.db2.gz WMSUGEUXXRMKLN-IBGZPJMESA-N 0 3 321.424 3.299 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000424111763 434626007 /nfs/dbraw/zinc/62/60/07/434626007.db2.gz HOKVJHFLTVKACC-SFHVURJKSA-N 0 3 323.396 3.463 20 30 DGEDHN CCC(CC)[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424107447 434626143 /nfs/dbraw/zinc/62/61/43/434626143.db2.gz ZVDBNUWJXCQGPB-UKRRQHHQSA-N 0 3 307.463 3.363 20 30 DGEDHN CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424116188 434627143 /nfs/dbraw/zinc/62/71/43/434627143.db2.gz XBDQIHCVORPVEG-XJKSGUPXSA-N 0 3 319.474 3.385 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000424123233 434627330 /nfs/dbraw/zinc/62/73/30/434627330.db2.gz KNHVZNSZNSNMCD-QGZVFWFLSA-N 0 3 315.417 3.105 20 30 DGEDHN CC(NC(=O)[C@H](N)CCCC#N)(c1ccccc1)c1ccccc1 ZINC000424117498 434629120 /nfs/dbraw/zinc/62/91/20/434629120.db2.gz ZAZNDCUONSRYOY-GOSISDBHSA-N 0 3 321.424 3.087 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418344853 434631577 /nfs/dbraw/zinc/63/15/77/434631577.db2.gz GNLGAHSBRMFJOL-KRWDZBQOSA-N 0 3 303.450 3.417 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000424144617 434635675 /nfs/dbraw/zinc/63/56/75/434635675.db2.gz SNAIYFATCWGBDS-HZPDHXFCSA-N 0 3 319.836 3.319 20 30 DGEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1Oc1cccnc1 ZINC000424158150 434638249 /nfs/dbraw/zinc/63/82/49/434638249.db2.gz QQMRFPNKGDDRAS-MRXNPFEDSA-N 0 3 324.384 3.142 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(Cl)cc2)C(C)C)C1=O ZINC000410312206 434639573 /nfs/dbraw/zinc/63/95/73/434639573.db2.gz PBSDBYGMXLAXTO-CVEARBPZSA-N 0 3 306.837 3.414 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(CC)cc2)C(C)C)C1=O ZINC000410418337 434643841 /nfs/dbraw/zinc/64/38/41/434643841.db2.gz NOBYWNZBLLJTMD-QZTJIDSGSA-N 0 3 300.446 3.323 20 30 DGEDHN COC(=O)c1cccc2c1CCN(CCCC(C)(C)C#N)C2 ZINC000459544917 434600434 /nfs/dbraw/zinc/60/04/34/434600434.db2.gz KNHAPVHZUBTPSU-UHFFFAOYSA-N 0 3 300.402 3.161 20 30 DGEDHN Cn1nnc2cc(CN[C@@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000418147314 434603733 /nfs/dbraw/zinc/60/37/33/434603733.db2.gz RAONNYOQMKVFAK-QGZVFWFLSA-N 0 3 317.396 3.007 20 30 DGEDHN Cc1nccn1CCCN(C)Cc1ccc(C#N)cc1Cl ZINC000439457230 434605778 /nfs/dbraw/zinc/60/57/78/434605778.db2.gz BHGMGSNKOGPQNW-UHFFFAOYSA-N 0 3 302.809 3.239 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](Cc2ccccc2)c2ccccc2)C1=O ZINC000410416235 434645007 /nfs/dbraw/zinc/64/50/07/434645007.db2.gz GNOOQTPHSQJRLS-WOJBJXKFSA-N 0 3 320.436 3.347 20 30 DGEDHN Cn1cc(CN2CC3(C2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000459565942 434610977 /nfs/dbraw/zinc/61/09/77/434610977.db2.gz UDLQACKQXYTSCA-UHFFFAOYSA-N 0 3 306.413 3.335 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424318576 434694147 /nfs/dbraw/zinc/69/41/47/434694147.db2.gz CZYRLQSPRRCRRN-JFTQMJAMSA-N 0 3 312.413 3.450 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418429090 434649746 /nfs/dbraw/zinc/64/97/46/434649746.db2.gz NGDFNBMYUHUVLH-LJQANCHMSA-N 0 3 323.440 3.474 20 30 DGEDHN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000360644524 434657299 /nfs/dbraw/zinc/65/72/99/434657299.db2.gz AZZKISOVGLFKKR-CXAGYDPISA-N 0 3 313.445 3.219 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1cccc(C#N)c1F)C(C)C ZINC000360664003 434661344 /nfs/dbraw/zinc/66/13/44/434661344.db2.gz MXLLLFMAUVIDHX-QGZVFWFLSA-N 0 3 306.381 3.155 20 30 DGEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2CCc2ccccc2)nn1 ZINC000424300194 434685654 /nfs/dbraw/zinc/68/56/54/434685654.db2.gz XBLKIGJLXTZBLN-PKOBYXMFSA-N 0 3 310.445 3.355 20 30 DGEDHN COc1cc(CN[C@H]2CCCN(c3ccccc3)C2)ccc1C#N ZINC000440821668 434746026 /nfs/dbraw/zinc/74/60/26/434746026.db2.gz BBMVXIXLIOBCNA-SFHVURJKSA-N 0 3 321.424 3.325 20 30 DGEDHN COc1cc(CNC[C@@H](C)N2CCc3ccccc32)ccc1C#N ZINC000440809625 434746610 /nfs/dbraw/zinc/74/66/10/434746610.db2.gz TZHDYMFLXWLGOY-OAHLLOKOSA-N 0 3 321.424 3.108 20 30 DGEDHN COc1cc(CNCCOc2cc(C)cc(C)c2)ccc1C#N ZINC000440807617 434746906 /nfs/dbraw/zinc/74/69/06/434746906.db2.gz OPRCRZGXRLKMTC-UHFFFAOYSA-N 0 3 310.397 3.352 20 30 DGEDHN COc1cc(CNCCc2cccc(F)c2F)ccc1C#N ZINC000440815723 434747861 /nfs/dbraw/zinc/74/78/61/434747861.db2.gz VZYCDHLLACXBSH-UHFFFAOYSA-N 0 3 302.324 3.177 20 30 DGEDHN CC(C)C(=O)NC[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411229771 434750768 /nfs/dbraw/zinc/75/07/68/434750768.db2.gz UIIBFJNKMGUJBN-QGZVFWFLSA-N 0 3 319.493 3.335 20 30 DGEDHN N#CCc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000440470449 434701292 /nfs/dbraw/zinc/70/12/92/434701292.db2.gz XUTVEEXJNNHJQC-HXUWFJFHSA-N 0 3 306.409 3.066 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C ZINC000459788347 434721106 /nfs/dbraw/zinc/72/11/06/434721106.db2.gz CZOVIVVEWBLNQK-GFCCVEGCSA-N 0 3 306.381 3.107 20 30 DGEDHN CCCNC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411131523 434729588 /nfs/dbraw/zinc/72/95/88/434729588.db2.gz JSOUFIWJPYDDIH-UHFFFAOYSA-N 0 3 305.466 3.089 20 30 DGEDHN Cc1noc([C@@H]2CCCN(CCC3(C#N)CCCCC3)C2)n1 ZINC000411183224 434739114 /nfs/dbraw/zinc/73/91/14/434739114.db2.gz CVONBMLNFLEDKF-OAHLLOKOSA-N 0 3 302.422 3.422 20 30 DGEDHN Cc1ccc(CNC(=O)C2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000411312188 434760449 /nfs/dbraw/zinc/76/04/49/434760449.db2.gz ZAQCEBGHUOOKFV-MRXNPFEDSA-N 0 3 313.445 3.016 20 30 DGEDHN CCC[C@@H]1CCCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419286696 434763810 /nfs/dbraw/zinc/76/38/10/434763810.db2.gz VNIKOJQUIIEQNL-NJAFHUGGSA-N 0 3 313.445 3.281 20 30 DGEDHN CN(C)C(=O)CC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411492380 434789128 /nfs/dbraw/zinc/78/91/28/434789128.db2.gz CJIIMQOQBALJEB-UHFFFAOYSA-N 0 3 305.466 3.041 20 30 DGEDHN C=CC[C@H]1N(CC(=O)N(CC)C[C@H](C)C#N)CCCC1(C)C ZINC000444782343 434789389 /nfs/dbraw/zinc/78/93/89/434789389.db2.gz QPUFOBMATYCBPK-HZPDHXFCSA-N 0 3 305.466 3.061 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000424702527 434782232 /nfs/dbraw/zinc/78/22/32/434782232.db2.gz FWYHQRFDFQQABV-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN C[C@H](CCC#N)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000411647121 434811872 /nfs/dbraw/zinc/81/18/72/434811872.db2.gz NQPDWVHMAHRKLO-CVEARBPZSA-N 0 3 308.429 3.438 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000424826887 434812512 /nfs/dbraw/zinc/81/25/12/434812512.db2.gz LVFOIWVIAPMOCR-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN CS[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1N1CCCC1 ZINC000445609345 434817054 /nfs/dbraw/zinc/81/70/54/434817054.db2.gz WDPRVDWIVDGSGD-HZPDHXFCSA-N 0 3 321.877 3.228 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)C[C@@H](O)Cc1ccccc1 ZINC000411760784 434825912 /nfs/dbraw/zinc/82/59/12/434825912.db2.gz SVCFBQXWZVMAKR-SFHVURJKSA-N 0 3 300.446 3.386 20 30 DGEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000412060711 434863284 /nfs/dbraw/zinc/86/32/84/434863284.db2.gz GRJAMEPFSLWDPB-IBGZPJMESA-N 0 3 314.429 3.263 20 30 DGEDHN CN(C(=O)CN1CCCC2(CCCC2)C1)C1(C#N)CCCCC1 ZINC000445862081 434832668 /nfs/dbraw/zinc/83/26/68/434832668.db2.gz FOJSLBWLJUZHFJ-UHFFFAOYSA-N 0 3 317.477 3.327 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCSC2(CCC2)CC1 ZINC000411871270 434838722 /nfs/dbraw/zinc/83/87/22/434838722.db2.gz QTQMAEADSJJRJK-HNNXBMFYSA-N 0 3 310.507 3.161 20 30 DGEDHN CC[C@@H](COCC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 ZINC000453251878 434840854 /nfs/dbraw/zinc/84/08/54/434840854.db2.gz FSINUFQGLWXKGG-ZFWWWQNUSA-N 0 3 312.335 3.493 20 30 DGEDHN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000453264920 434845267 /nfs/dbraw/zinc/84/52/67/434845267.db2.gz JARSABJEMJJWDJ-QUCCMNQESA-N 0 3 306.409 3.393 20 30 DGEDHN CO[C@](C)([C@H](C)NCc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000411943993 434847152 /nfs/dbraw/zinc/84/71/52/434847152.db2.gz JHGSFDKNANWYSM-APPDUMDISA-N 0 3 324.371 3.453 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000372892930 434860691 /nfs/dbraw/zinc/86/06/91/434860691.db2.gz SYFVXJVHSHNASL-MJGOQNOKSA-N 0 3 312.457 3.474 20 30 DGEDHN CC(C)CN(Cc1c[nH]c2nccnc12)Cc1ccc(C#N)cc1 ZINC000521322132 434880015 /nfs/dbraw/zinc/88/00/15/434880015.db2.gz ZINPOBZKVDCRBW-UHFFFAOYSA-N 0 3 319.412 3.439 20 30 DGEDHN COc1cccc(C[C@H]2CCCN2Cc2ccc(C#N)cn2)c1 ZINC000521893991 434898885 /nfs/dbraw/zinc/89/88/85/434898885.db2.gz FHAFSZVEKGWJES-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN C[C@H]1[C@@H](CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000412071231 434864231 /nfs/dbraw/zinc/86/42/31/434864231.db2.gz GQGYJMVLGLEFOM-DZGCQCFKSA-N 0 3 311.347 3.150 20 30 DGEDHN CN(C)C/C=C/C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000491847577 434870174 /nfs/dbraw/zinc/87/01/74/434870174.db2.gz MEKKILKTQDRGAX-QPJJXVBHSA-N 0 3 321.380 3.407 20 30 DGEDHN CN(C)C/C=C/C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000491851361 434870319 /nfs/dbraw/zinc/87/03/19/434870319.db2.gz RAHUSGQVZRUDAJ-QPJJXVBHSA-N 0 3 321.380 3.407 20 30 DGEDHN CC[C@H](CNC(=O)C(C)C#N)Cc1cccc(Br)c1 ZINC000522974476 434936902 /nfs/dbraw/zinc/93/69/02/434936902.db2.gz OTTFVGVJZNURIB-NEPJUHHUSA-N 0 3 323.234 3.294 20 30 DGEDHN COc1nc2ccccc2cc1CNCCc1cccc(C#N)c1 ZINC000555287683 434968478 /nfs/dbraw/zinc/96/84/78/434968478.db2.gz JLKUBXPYUWKMCX-UHFFFAOYSA-N 0 3 317.392 3.447 20 30 DGEDHN C=CC[C@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000522645294 434928381 /nfs/dbraw/zinc/92/83/81/434928381.db2.gz MXULPEFEUNKPDU-IRXDYDNUSA-N 0 3 314.473 3.410 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000465262523 435023132 /nfs/dbraw/zinc/02/31/32/435023132.db2.gz LVMACNDJDAUZDG-HUUCEWRRSA-N 0 3 302.418 3.373 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)nc21 ZINC000528952439 435031289 /nfs/dbraw/zinc/03/12/89/435031289.db2.gz AHEAWYOKJGRJRQ-ARUSPNSKSA-N 0 3 311.385 3.107 20 30 DGEDHN Cc1ccccc1C1(CNC[C@@H](C#N)CCC#N)CCOCC1 ZINC000556856231 435032095 /nfs/dbraw/zinc/03/20/95/435032095.db2.gz ULYMCXKIFXWLCF-QGZVFWFLSA-N 0 3 311.429 3.076 20 30 DGEDHN CN(C)[C@@H](CNc1ncc2c(c1C#N)CCC2)c1ccccc1 ZINC000574447288 434977946 /nfs/dbraw/zinc/97/79/46/434977946.db2.gz BMHGXYUHEYYOAE-SFHVURJKSA-N 0 3 306.413 3.157 20 30 DGEDHN N#Cc1ccc(CN(CCCO)[C@@H]2CCCc3ccccc32)nc1 ZINC000555674202 434982825 /nfs/dbraw/zinc/98/28/25/434982825.db2.gz IBFUIBNHXMJWBB-HXUWFJFHSA-N 0 3 321.424 3.215 20 30 DGEDHN C=C[C@H](C)NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464758662 434997242 /nfs/dbraw/zinc/99/72/42/434997242.db2.gz ZSOXGWXVKCGFJS-WMZOPIPTSA-N 0 3 315.461 3.115 20 30 DGEDHN C=C[C@H](C)NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464758658 434998191 /nfs/dbraw/zinc/99/81/91/434998191.db2.gz ZSOXGWXVKCGFJS-FUHWJXTLSA-N 0 3 315.461 3.115 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CCc2ccccc2)CC1 ZINC000526942180 435010121 /nfs/dbraw/zinc/01/01/21/435010121.db2.gz KQYKYZRZXSRAES-SFHVURJKSA-N 0 3 319.452 3.480 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)c2cnc3n2CCCC3)n1 ZINC000556479849 435010238 /nfs/dbraw/zinc/01/02/38/435010238.db2.gz ANOFKTUOCKKNJE-NSHDSACASA-N 0 3 314.414 3.289 20 30 DGEDHN C=CCC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccco1 ZINC000556865313 435033422 /nfs/dbraw/zinc/03/34/22/435033422.db2.gz AACTUOUEAVMAKX-NVXWUHKLSA-N 0 3 301.386 3.316 20 30 DGEDHN N#Cc1ccnc(NC[C@@H]2CCCN2C2CCCCC2)c1Cl ZINC000557674257 435062487 /nfs/dbraw/zinc/06/24/87/435062487.db2.gz YIASHWAKXYMIFA-HNNXBMFYSA-N 0 3 318.852 3.816 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1ccc(C#N)s1 ZINC000578204660 435069132 /nfs/dbraw/zinc/06/91/32/435069132.db2.gz XQCBYWWUIYBIIV-UHFFFAOYSA-N 0 3 314.414 3.289 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000529578783 435037762 /nfs/dbraw/zinc/03/77/62/435037762.db2.gz PVGOPVYFTHLNLD-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000466044695 435056943 /nfs/dbraw/zinc/05/69/43/435056943.db2.gz UJKQIMSZIABUAA-RDJZCZTQSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)CC1 ZINC000558826857 435111724 /nfs/dbraw/zinc/11/17/24/435111724.db2.gz MSTAIJZBDCJMRB-RBUKOAKNSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CCC2)C1)C(C)C ZINC000468036367 435125941 /nfs/dbraw/zinc/12/59/41/435125941.db2.gz DFEZFSDKELZMKM-KRWDZBQOSA-N 0 3 319.493 3.271 20 30 DGEDHN C[C@@H]1C[C@@H]1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475350718 435192505 /nfs/dbraw/zinc/19/25/05/435192505.db2.gz RIOBXEVFCUTDQM-UNEWFSDZSA-N 0 3 303.837 3.178 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000533280603 435224546 /nfs/dbraw/zinc/22/45/46/435224546.db2.gz IXAPEDCHRDAGTB-JZXOWHBKSA-N 0 3 307.482 3.187 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000561624882 435226771 /nfs/dbraw/zinc/22/67/71/435226771.db2.gz VWZCGKRYKUMCOF-SZVBFZGTSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC1CCC1)C(C)C ZINC000476295562 435229429 /nfs/dbraw/zinc/22/94/29/435229429.db2.gz VBRXUVNCQXYBQF-KRWDZBQOSA-N 0 3 307.482 3.127 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000533400099 435235939 /nfs/dbraw/zinc/23/59/39/435235939.db2.gz FJNXORLPEWNOAV-IRXDYDNUSA-N 0 3 300.446 3.311 20 30 DGEDHN C[C@@H](CCC#N)CN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000639348099 435257458 /nfs/dbraw/zinc/25/74/58/435257458.db2.gz UFSRHJZXRHLERL-KXBFYZLASA-N 0 3 312.413 3.426 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000639339538 435253460 /nfs/dbraw/zinc/25/34/60/435253460.db2.gz GVWLAZWQPVQRPG-FQEVSTJZSA-N 0 3 324.424 3.438 20 30 DGEDHN C=C(CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1)c1ccccc1 ZINC000479394906 435329981 /nfs/dbraw/zinc/32/99/81/435329981.db2.gz ULXINXHNTXTVBY-DOTOQJQBSA-N 0 3 315.461 3.119 20 30 DGEDHN CC[C@H](Cc1ccccc1Br)N(C)C(=O)C(C)C#N ZINC000479747714 435351329 /nfs/dbraw/zinc/35/13/29/435351329.db2.gz CAWFBLBCEUIJCF-DGCLKSJQSA-N 0 3 323.234 3.388 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H]1C)C(C)C ZINC000481016568 435407370 /nfs/dbraw/zinc/40/73/70/435407370.db2.gz BHMMZRIVBCBYTN-YESZJQIVSA-N 0 3 307.482 3.125 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCc1ccccc1 ZINC000536083663 435368667 /nfs/dbraw/zinc/36/86/67/435368667.db2.gz XZRSESHYFZSJBM-QGZVFWFLSA-N 0 3 302.462 3.364 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000515486638 435486839 /nfs/dbraw/zinc/48/68/39/435486839.db2.gz BVVSXSCPZVPNIQ-CZUORRHYSA-N 0 3 317.389 3.103 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000644947550 435546931 /nfs/dbraw/zinc/54/69/31/435546931.db2.gz UPMPQUQKLOJVCJ-OAHLLOKOSA-N 0 3 306.475 3.138 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2snc3ccccc32)CC1 ZINC000640246913 435549595 /nfs/dbraw/zinc/54/95/95/435549595.db2.gz PCWPPSBGWSTHTI-UHFFFAOYSA-N 0 3 316.430 3.068 20 30 DGEDHN CCC[C@H]1CN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000539392848 435550420 /nfs/dbraw/zinc/55/04/20/435550420.db2.gz HPIPHOGSGJKIAC-IBGZPJMESA-N 0 3 320.440 3.444 20 30 DGEDHN C[C@H](NCCOc1ccc(Cl)cn1)c1ccc(C#N)c(F)c1 ZINC000539606759 435559618 /nfs/dbraw/zinc/55/96/18/435559618.db2.gz OOQKYSAEDPLNDY-NSHDSACASA-N 0 3 319.767 3.475 20 30 DGEDHN C=CCOCCN1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000645093192 435564888 /nfs/dbraw/zinc/56/48/88/435564888.db2.gz QTMOUFKHDYGEAK-INIZCTEOSA-N 0 3 300.446 3.105 20 30 DGEDHN N#Cc1cnc(CNC2(Cc3ccccc3)CCCCC2)nc1 ZINC000569579156 435545216 /nfs/dbraw/zinc/54/52/16/435545216.db2.gz VRDWGXISCHDTOM-UHFFFAOYSA-N 0 3 306.413 3.383 20 30 DGEDHN CC(C)CC[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486812899 435615561 /nfs/dbraw/zinc/61/55/61/435615561.db2.gz OTPVOJMSKADKNX-MRXNPFEDSA-N 0 3 305.466 3.230 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3sccc3s2)CC1 ZINC000517987805 435621252 /nfs/dbraw/zinc/62/12/52/435621252.db2.gz FVRYWBVXQSHITL-UHFFFAOYSA-N 0 3 306.456 3.343 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C2CCC2)C2CCCC2)CC1 ZINC000645232903 435600001 /nfs/dbraw/zinc/60/00/01/435600001.db2.gz YBKKUQDHRLPTEF-SFHVURJKSA-N 0 3 319.493 3.295 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)CC1 ZINC000645266083 435605864 /nfs/dbraw/zinc/60/58/64/435605864.db2.gz LGYVXJACGXOYLT-KRWDZBQOSA-N 0 3 317.477 3.023 20 30 DGEDHN C[C@H]1C[C@@H]1N1CCN(c2c(Cl)cccc2C#N)C[C@@H](C)C1 ZINC000488718335 435640520 /nfs/dbraw/zinc/64/05/20/435640520.db2.gz VLCCGIZOADOPPZ-XEZPLFJOSA-N 0 3 303.837 3.378 20 30 DGEDHN C[C@@H]1C[C@@H]1N1CCN(c2c(F)cc(C#N)cc2F)C[C@@H](C)C1 ZINC000488719724 435642941 /nfs/dbraw/zinc/64/29/41/435642941.db2.gz ONDHSZSSERDUAO-OZVIIMIRSA-N 0 3 305.372 3.003 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@H](COC)C(C)C ZINC000541596063 435644027 /nfs/dbraw/zinc/64/40/27/435644027.db2.gz ZPFGXWVQLYTWBR-OAHLLOKOSA-N 0 3 322.474 3.164 20 30 DGEDHN C#CCN(C(=O)NC1CCN(CC(=C)C)CC1)C1CCCCC1 ZINC000490631757 435668381 /nfs/dbraw/zinc/66/83/81/435668381.db2.gz WRUHTAAKSVMMCO-UHFFFAOYSA-N 0 3 317.477 3.004 20 30 DGEDHN C#CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CCCC1 ZINC000490832065 435681804 /nfs/dbraw/zinc/68/18/04/435681804.db2.gz ZIRUFRAUGWKUCM-UHFFFAOYSA-N 0 3 310.441 3.300 20 30 DGEDHN C=CCN(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000490962255 435693551 /nfs/dbraw/zinc/69/35/51/435693551.db2.gz DSNKAGNCDXCWJG-UHFFFAOYSA-N 0 3 302.466 3.419 20 30 DGEDHN N#Cc1ccc(CNCC2(CO)CC(c3ccccc3)C2)s1 ZINC000571360731 435699414 /nfs/dbraw/zinc/69/94/14/435699414.db2.gz FAWDPMIPPWOLQP-UHFFFAOYSA-N 0 3 312.438 3.266 20 30 DGEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CC1(C)C ZINC000571841507 435742626 /nfs/dbraw/zinc/74/26/26/435742626.db2.gz YNJLUYNOCPOVTD-INIZCTEOSA-N 0 3 309.417 3.089 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000491406486 435745572 /nfs/dbraw/zinc/74/55/72/435745572.db2.gz OACWFKWGBONBCO-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C#C[C@@H](NC(=N)Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000491668937 435791017 /nfs/dbraw/zinc/79/10/17/435791017.db2.gz WWECRMVLTSCHNE-CQSZACIVSA-N 0 3 303.287 3.415 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2ccccc2F)nc1C ZINC000655779520 435792810 /nfs/dbraw/zinc/79/28/10/435792810.db2.gz MZWUHBWXVLRYAX-AEFFLSMTSA-N 0 3 315.392 3.143 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccc(OC)cc2)no1 ZINC000650076641 435807689 /nfs/dbraw/zinc/80/76/89/435807689.db2.gz SCQMCKQOEHFJJJ-AEFFLSMTSA-N 0 3 314.385 3.173 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccccc1OCc1ccncc1 ZINC000641759071 435812848 /nfs/dbraw/zinc/81/28/48/435812848.db2.gz ATQSOHWOJKWZPB-SFHVURJKSA-N 0 3 312.413 3.077 20 30 DGEDHN C=CCC[C@@H](NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000655800664 435812973 /nfs/dbraw/zinc/81/29/73/435812973.db2.gz CUNLIBSOHYZTIU-MWDXBVQZSA-N 0 3 306.450 3.374 20 30 DGEDHN CC#CC[C@H](CO)NCc1c(OC(F)F)ccc2ccccc21 ZINC000641768911 435816299 /nfs/dbraw/zinc/81/62/99/435816299.db2.gz LOFGHWXISBYEJL-CQSZACIVSA-N 0 3 319.351 3.305 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000651765900 435820219 /nfs/dbraw/zinc/82/02/19/435820219.db2.gz MEBVVGMNTASELZ-BRWVUGGUSA-N 0 3 321.486 3.492 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cn(-c2ccccc2Cl)nc1C ZINC000655756812 435777695 /nfs/dbraw/zinc/77/76/95/435777695.db2.gz YQTAOLASJZAEFB-CQSZACIVSA-N 0 3 319.836 3.108 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2cccc(C)c2)nc1C ZINC000651822962 435840919 /nfs/dbraw/zinc/84/09/19/435840919.db2.gz QFKDGLHFBNNXCV-MOPGFXCFSA-N 0 3 311.429 3.312 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000641939500 435845294 /nfs/dbraw/zinc/84/52/94/435845294.db2.gz AQEWFBAVIALFNK-ZDUSSCGKSA-N 0 3 316.228 3.407 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000641939539 435846949 /nfs/dbraw/zinc/84/69/49/435846949.db2.gz JWPXCILSOANNTK-KRWDZBQOSA-N 0 3 303.446 3.398 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(C(=O)OC)cc2)cc1 ZINC000572683398 435855926 /nfs/dbraw/zinc/85/59/26/435855926.db2.gz UGPWLAJBAHAXRG-UHFFFAOYSA-N 0 3 311.381 3.328 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660706226 435864410 /nfs/dbraw/zinc/86/44/10/435864410.db2.gz IVTYSMCBBAZHOY-HUUCEWRRSA-N 0 3 307.482 3.008 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)ccc1OC(F)F ZINC000660734667 435873685 /nfs/dbraw/zinc/87/36/85/435873685.db2.gz BJZQTRXVJNBKMI-OLZOCXBDSA-N 0 3 301.308 3.250 20 30 DGEDHN C=CCOc1ccc(CN2CCC([C@@H](C)CO)CC2)cc1OC ZINC000651956135 435876182 /nfs/dbraw/zinc/87/61/82/435876182.db2.gz MZFOLSHOSFOQTB-HNNXBMFYSA-N 0 3 319.445 3.100 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000652232576 435929749 /nfs/dbraw/zinc/92/97/49/435929749.db2.gz HFQHRDHBEYUYCR-GOSISDBHSA-N 0 3 315.461 3.164 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000665389061 435964555 /nfs/dbraw/zinc/96/45/55/435964555.db2.gz AOWQJQYYRFFRQL-OWSLCNJRSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661192896 435992523 /nfs/dbraw/zinc/99/25/23/435992523.db2.gz AZARKLBIFRDTCC-ROUUACIJSA-N 0 3 303.446 3.383 20 30 DGEDHN C=CCN(CC[C@@H]1Sc2ccccc2NC1=O)[C@H](C)COC ZINC000661240963 436003634 /nfs/dbraw/zinc/00/36/34/436003634.db2.gz UOFXAGNUHVWPPO-CJNGLKHVSA-N 0 3 320.458 3.012 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665556722 436005670 /nfs/dbraw/zinc/00/56/70/436005670.db2.gz CFTRRCOBRCZUSK-QGZVFWFLSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCCNC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000665945108 436103103 /nfs/dbraw/zinc/10/31/03/436103103.db2.gz AFLOIGHCRVPAIJ-WMZOPIPTSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CC1CCN(C)CC1 ZINC000661415917 436059989 /nfs/dbraw/zinc/05/99/89/436059989.db2.gz VHMUTRMKMVVSHM-DLBZAZTESA-N 0 3 307.482 3.105 20 30 DGEDHN CCC#C[C@@H](C)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000656858512 436062964 /nfs/dbraw/zinc/06/29/64/436062964.db2.gz SSSWJNSLHXGZOA-ZIAGYGMSSA-N 0 3 303.368 3.469 20 30 DGEDHN C=CCN(CC(=O)NCC1(c2ccccc2)CC1)C(C)(C)C ZINC000661754668 436178848 /nfs/dbraw/zinc/17/88/48/436178848.db2.gz AGWXRXDIRIVFCM-UHFFFAOYSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCCn1cc(CNCC2(Cc3ccc(F)cc3)CC2)nn1 ZINC000657424032 436193979 /nfs/dbraw/zinc/19/39/79/436193979.db2.gz QCHAZXPADLZIIZ-UHFFFAOYSA-N 0 3 314.408 3.106 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657426964 436194476 /nfs/dbraw/zinc/19/44/76/436194476.db2.gz NLLTUEJDZXJBPS-HNNXBMFYSA-N 0 3 316.376 3.287 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1Cl ZINC000657707613 436287035 /nfs/dbraw/zinc/28/70/35/436287035.db2.gz VDZCQRQYFPAQLP-HOTGVXAUSA-N 0 3 307.821 3.298 20 30 DGEDHN C=CCC1(NCc2cc(OC)cc3c2O[C@@H](C)C3)CCOCC1 ZINC000657633794 436265257 /nfs/dbraw/zinc/26/52/57/436265257.db2.gz XDZVFWDBIYESMJ-AWEZNQCLSA-N 0 3 317.429 3.234 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)c1ccccc1OC ZINC000662079099 436265966 /nfs/dbraw/zinc/26/59/66/436265966.db2.gz KGFOPXWAQSESLY-HRCADAONSA-N 0 3 314.429 3.055 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000662079779 436268261 /nfs/dbraw/zinc/26/82/61/436268261.db2.gz MELJJHBHDURPNW-CWRNSKLLSA-N 0 3 316.470 3.204 20 30 DGEDHN C=CCOCCCNCc1cc(Br)ccc1F ZINC000657655283 436268788 /nfs/dbraw/zinc/26/87/88/436268788.db2.gz COHHQUZHELCFCX-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000662084227 436269630 /nfs/dbraw/zinc/26/96/30/436269630.db2.gz OWYSNOFIKOJGCA-YTQUADARSA-N 0 3 312.457 3.225 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCCOC1CCCCC1 ZINC000662084210 436270076 /nfs/dbraw/zinc/27/00/76/436270076.db2.gz OJUPGGSHBNQJQH-CALCHBBNSA-N 0 3 320.477 3.025 20 30 DGEDHN C=CCOCCCNCc1c(C)nn(Cc2ccccc2)c1C ZINC000657658348 436270112 /nfs/dbraw/zinc/27/01/12/436270112.db2.gz SYBZUJYGBUYANR-UHFFFAOYSA-N 0 3 313.445 3.231 20 30 DGEDHN C=CCc1cc(CNC[C@H]2CCC[C@@H](C)O2)cc(OC)c1O ZINC000657663094 436270727 /nfs/dbraw/zinc/27/07/27/436270727.db2.gz DSJLEUKPTAYBRH-CZUORRHYSA-N 0 3 305.418 3.177 20 30 DGEDHN CCC(C)(C)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000653809673 436271108 /nfs/dbraw/zinc/27/11/08/436271108.db2.gz FNQGBDXZLNPKQO-UHFFFAOYSA-N 0 3 304.865 3.498 20 30 DGEDHN C=CCOCCCNCc1cccc(F)c1Br ZINC000657659463 436271240 /nfs/dbraw/zinc/27/12/40/436271240.db2.gz YETRCXCYLACRSD-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=C[C@H](CO)N[C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000658334555 436432659 /nfs/dbraw/zinc/43/26/59/436432659.db2.gz MRAFHMQXVWSOLB-BXUZGUMPSA-N 0 3 310.235 3.308 20 30 DGEDHN C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000659021254 436458237 /nfs/dbraw/zinc/45/82/37/436458237.db2.gz DBHRCSMMVWTTOW-UHFFFAOYSA-N 0 3 303.406 3.035 20 30 DGEDHN CCc1c[nH]c(=O)c(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000659115058 436462931 /nfs/dbraw/zinc/46/29/31/436462931.db2.gz OJSOEHSPZKQRPC-GFCCVEGCSA-N 0 3 315.398 3.420 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000659533826 436514377 /nfs/dbraw/zinc/51/43/77/436514377.db2.gz RQXXITPDUNDLCB-QAPCUYQASA-N 0 3 313.445 3.224 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659271684 436487451 /nfs/dbraw/zinc/48/74/51/436487451.db2.gz AXHGTQJMNVUJKG-KRWDZBQOSA-N 0 3 312.438 3.497 20 30 DGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C1(C#N)CCCC1)N(C)C ZINC000362128820 302202030 /nfs/dbraw/zinc/20/20/30/302202030.db2.gz IOBIJIBBHUQTLK-RDJZCZTQSA-N 0 3 313.445 3.186 20 30 DGEDHN N#CCCN(C(=O)CN1C[C@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000177537926 303151675 /nfs/dbraw/zinc/15/16/75/303151675.db2.gz LTNJKQVMNUOCMY-IAGOWNOFSA-N 0 3 311.429 3.055 20 30 DGEDHN Cc1cc(CNC[C@@H](c2ccc(F)cc2)N(C)C)ccc1C#N ZINC000443978314 533699180 /nfs/dbraw/zinc/69/91/80/533699180.db2.gz HGZBKUBLBHCWPA-IBGZPJMESA-N 0 3 311.404 3.398 20 30 DGEDHN C[C@@H](NC1(C2CC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000544416492 314191489 /nfs/dbraw/zinc/19/14/89/314191489.db2.gz YNVKKEOFLXURKA-SNVBAGLBSA-N 0 3 303.793 3.071 20 30 DGEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H](C)C1CCCCC1 ZINC000544423668 314192468 /nfs/dbraw/zinc/19/24/68/314192468.db2.gz FYKXQVSMPZYZHU-QWQRMKEZSA-N 0 3 313.445 3.279 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N ZINC000548159529 314427403 /nfs/dbraw/zinc/42/74/03/314427403.db2.gz NUSBZNQJNSRXTH-PBFPGSCMSA-N 0 3 300.402 3.259 20 30 DGEDHN CN1CC=C(CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000563036546 315072144 /nfs/dbraw/zinc/07/21/44/315072144.db2.gz JFRVZMADXZZECP-UHFFFAOYSA-N 0 3 312.804 3.434 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1ccc(C#N)cc1 ZINC000564345952 315171613 /nfs/dbraw/zinc/17/16/13/315171613.db2.gz CMMSEZUTYSADSZ-UHFFFAOYSA-N 0 3 308.385 3.228 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOC[C@H]1CCCO1 ZINC000565280274 315249231 /nfs/dbraw/zinc/24/92/31/315249231.db2.gz GWZLKAFHRPKMQO-IEBWSBKVSA-N 0 3 314.429 3.111 20 30 DGEDHN CC1CCC(N(Cc2cnc3c(C#N)cnn3c2)C2CC2)CC1 ZINC000565422213 315260020 /nfs/dbraw/zinc/26/00/20/315260020.db2.gz NMBXVNDJYDATTF-UHFFFAOYSA-N 0 3 309.417 3.144 20 30 DGEDHN CCO[C@H]1C[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566657855 315365307 /nfs/dbraw/zinc/36/53/07/315365307.db2.gz XWZQKCDCRFWKQV-UXHICEINSA-N 0 3 322.408 3.404 20 30 DGEDHN CN1CCC(Nc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000571075771 315695287 /nfs/dbraw/zinc/69/52/87/315695287.db2.gz GLRMOHJZZNMBBZ-UHFFFAOYSA-N 0 3 300.793 3.266 20 30 DGEDHN CC1=CCC[C@H](C)[C@@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000575068698 316030109 /nfs/dbraw/zinc/03/01/09/316030109.db2.gz LAMBORGROREOSB-FUHWJXTLSA-N 0 3 310.445 3.068 20 30 DGEDHN CCC[C@@H]1CN(c2cccnc2C#N)CCN1Cc1ccccc1 ZINC000576081394 316092222 /nfs/dbraw/zinc/09/22/22/316092222.db2.gz KNAVIQLNCZPURG-GOSISDBHSA-N 0 3 320.440 3.444 20 30 DGEDHN CC(C)(O)CN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000180203071 323223755 /nfs/dbraw/zinc/22/37/55/323223755.db2.gz BSZOVLHEXPWYRY-UHFFFAOYSA-N 0 3 324.424 3.210 20 30 DGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000181789988 323269526 /nfs/dbraw/zinc/26/95/26/323269526.db2.gz BEARQDYXCKNSEK-OAHLLOKOSA-N 0 3 321.424 3.453 20 30 DGEDHN CC(C)n1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000578150417 323693335 /nfs/dbraw/zinc/69/33/35/323693335.db2.gz HQQQOFUXGXBDLU-UHFFFAOYSA-N 0 3 323.444 3.094 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN1CCC(C)(C)C1 ZINC000581462918 324119738 /nfs/dbraw/zinc/11/97/38/324119738.db2.gz ZDXKZAMUFQTHON-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000569430996 332080835 /nfs/dbraw/zinc/08/08/35/332080835.db2.gz IPCBFHOJOYMQJT-YOEHRIQHSA-N 0 3 320.396 3.116 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000097079362 332192240 /nfs/dbraw/zinc/19/22/40/332192240.db2.gz QRJZQXBDYVNXJA-KRWDZBQOSA-N 0 3 319.424 3.265 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(C)C)nc2C)CC1 ZINC000292974122 335098871 /nfs/dbraw/zinc/09/88/71/335098871.db2.gz CJDGJHVNORENBH-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCN(Cc1cccc(I)c1)C1CC1 ZINC000560258495 332324853 /nfs/dbraw/zinc/32/48/53/332324853.db2.gz KDMOQGODCIVXAQ-UHFFFAOYSA-N 0 3 313.182 3.442 20 30 DGEDHN N#CC1(CN[C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000560510059 332347869 /nfs/dbraw/zinc/34/78/69/332347869.db2.gz YWCSFZXWLRKNNN-GFCCVEGCSA-N 0 3 305.219 3.200 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000562706436 332618489 /nfs/dbraw/zinc/61/84/89/332618489.db2.gz RZZXSJQURNJRRJ-UYAOXDASSA-N 0 3 324.424 3.233 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000182214409 333199168 /nfs/dbraw/zinc/19/91/68/333199168.db2.gz YHWKYSVKARPEQZ-QGZVFWFLSA-N 0 3 303.450 3.069 20 30 DGEDHN C=CCCCCCN(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000531297457 333340718 /nfs/dbraw/zinc/34/07/18/333340718.db2.gz OJQIOROCIJTRSZ-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C[C@@H](NCCOCCC#N)c1ccc(Br)cc1F ZINC000293598056 334199622 /nfs/dbraw/zinc/19/96/22/334199622.db2.gz OTZBUHQSFDMVGB-SNVBAGLBSA-N 0 3 315.186 3.169 20 30 DGEDHN C=CC1CCN(C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000111444383 334326173 /nfs/dbraw/zinc/32/61/73/334326173.db2.gz WJWXWMUPPOWUPI-UHFFFAOYSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCCN1CC ZINC000111510030 334334833 /nfs/dbraw/zinc/33/48/33/334334833.db2.gz GMKFGNMJKOUWPT-HNNXBMFYSA-N 0 3 321.490 3.320 20 30 DGEDHN N#CCCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000519819208 335898015 /nfs/dbraw/zinc/89/80/15/335898015.db2.gz FDPNKJBCLDLVRI-UHFFFAOYSA-N 0 3 312.417 3.148 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1C)C(C)C ZINC000520608760 335994353 /nfs/dbraw/zinc/99/43/53/335994353.db2.gz WGNDYIRTZAHLBS-IXDOHACOSA-N 0 3 307.482 3.173 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(Br)cc1F ZINC000320927853 336386125 /nfs/dbraw/zinc/38/61/25/336386125.db2.gz DNIODQXLPQUXFG-GFCCVEGCSA-N 0 3 302.187 3.005 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCCCCC2)CC1 ZINC000106341135 337816717 /nfs/dbraw/zinc/81/67/17/337816717.db2.gz SCAMGMSWJSCTEF-UHFFFAOYSA-N 0 3 307.482 3.391 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]1C(C)C)C(C)C ZINC000537230774 337926733 /nfs/dbraw/zinc/92/67/33/337926733.db2.gz TYZWEAIBAHEVQT-IRXDYDNUSA-N 0 3 307.482 3.125 20 30 DGEDHN CC#CCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000499214550 340032570 /nfs/dbraw/zinc/03/25/70/340032570.db2.gz PBVOCUUGUJBCTP-INIZCTEOSA-N 0 3 307.821 3.401 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2cccc(F)c2)C2CCCC2)C1=O ZINC000499614124 340041094 /nfs/dbraw/zinc/04/10/94/340041094.db2.gz ZKQQZCCOQPPKSV-MSOLQXFVSA-N 0 3 316.420 3.434 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000516579200 340066267 /nfs/dbraw/zinc/06/62/67/340066267.db2.gz MCKSSKGFOVHKNW-AEFFLSMTSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1CCCC1)C(C)C ZINC000503406863 340127550 /nfs/dbraw/zinc/12/75/50/340127550.db2.gz NXOBSWNOSHZZCZ-QGZVFWFLSA-N 0 3 307.482 3.174 20 30 DGEDHN C=CCOc1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000506343626 340192926 /nfs/dbraw/zinc/19/29/26/340192926.db2.gz SPOISKLQQSYNSF-UHFFFAOYSA-N 0 3 300.446 3.312 20 30 DGEDHN CN(CCC1CCCCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000507647357 340227178 /nfs/dbraw/zinc/22/71/78/340227178.db2.gz DFHGYXNWQHJRCL-UHFFFAOYSA-N 0 3 305.466 3.231 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508883866 340255182 /nfs/dbraw/zinc/25/51/82/340255182.db2.gz XFJFAMGASVZXBY-CGTJXYLNSA-N 0 3 315.461 3.428 20 30 DGEDHN C=CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508896364 340255436 /nfs/dbraw/zinc/25/54/36/340255436.db2.gz MKMAQKJFQYIHHY-YJBOKZPZSA-N 0 3 315.461 3.285 20 30 DGEDHN CC#CCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510619953 340304097 /nfs/dbraw/zinc/30/40/97/340304097.db2.gz XYWWMGAAMMXPKD-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCN1CCC ZINC000511915597 340342788 /nfs/dbraw/zinc/34/27/88/340342788.db2.gz HUHRLPBMXABFHJ-HNNXBMFYSA-N 0 3 321.490 3.320 20 30 DGEDHN C=C(C)CN(CCc1ccc(OC)cc1)Cc1ccc(CO)o1 ZINC000512230354 340353309 /nfs/dbraw/zinc/35/33/09/340353309.db2.gz VIVOMMJUGBSDJY-UHFFFAOYSA-N 0 3 315.413 3.401 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCCC(C)(C)C#N ZINC000174879769 340398272 /nfs/dbraw/zinc/39/82/72/340398272.db2.gz IZTAPUDQIXELML-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1[nH]c(C)cc1C)C(C)C ZINC000177639869 340442362 /nfs/dbraw/zinc/44/23/62/340442362.db2.gz KQXVYUUAMXJDCG-MRXNPFEDSA-N 0 3 303.450 3.060 20 30 DGEDHN CC#CCCCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000186146283 340508768 /nfs/dbraw/zinc/50/87/68/340508768.db2.gz KRAYEUPWIJRLRC-UHFFFAOYSA-N 0 3 313.445 3.325 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1CC)C(C)C ZINC000522075931 340569448 /nfs/dbraw/zinc/56/94/48/340569448.db2.gz XACOMRVWKYGJOB-DLBZAZTESA-N 0 3 307.482 3.269 20 30 DGEDHN C=CC[C@H](C)NCc1ccc(C(=O)OC)cc1Br ZINC000226717204 340590439 /nfs/dbraw/zinc/59/04/39/340590439.db2.gz YZTDRGVUHIJNPH-JTQLQIEISA-N 0 3 312.207 3.290 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CC(C)(C)C)CC(C)(C)C ZINC000538220837 340813882 /nfs/dbraw/zinc/81/38/82/340813882.db2.gz YIJDCASRIPNKTD-SFHVURJKSA-N 0 3 309.498 3.435 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000538569640 340833758 /nfs/dbraw/zinc/83/37/58/340833758.db2.gz GHNPFNUOMGQOPN-ROUUACIJSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC1CCN(CC)CC1 ZINC000070058329 340988502 /nfs/dbraw/zinc/98/85/02/340988502.db2.gz MZUJNHJMYDVJHF-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncnc3cccc(OC)c32)CC1 ZINC000543031071 341028829 /nfs/dbraw/zinc/02/88/29/341028829.db2.gz YRXAZCYGOSOHRN-UHFFFAOYSA-N 0 3 312.417 3.091 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000543183553 341035666 /nfs/dbraw/zinc/03/56/66/341035666.db2.gz BKFUJSCCHHQXFZ-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H]2CCCC[C@H]12 ZINC000543905186 341062944 /nfs/dbraw/zinc/06/29/44/341062944.db2.gz DQTDUIJCMXPCGZ-ZACQAIPSSA-N 0 3 317.477 3.182 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000544432830 341082068 /nfs/dbraw/zinc/08/20/68/341082068.db2.gz JELFRUOJKLIIPV-JEWRLFTDSA-N 0 3 315.461 3.211 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2(CC)CCCCC2)CC1 ZINC000546565446 341173089 /nfs/dbraw/zinc/17/30/89/341173089.db2.gz BUGCMWHUSARQDR-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000079296616 341256423 /nfs/dbraw/zinc/25/64/23/341256423.db2.gz MVKOQSXWLVUNRI-OAHLLOKOSA-N 0 3 321.490 3.320 20 30 DGEDHN CC(C)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)Nc1nccs1 ZINC000248872547 341388962 /nfs/dbraw/zinc/38/89/62/341388962.db2.gz IGWOBRJXZFXAJN-MCIONIFRSA-N 0 3 320.462 3.168 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000249028642 341392240 /nfs/dbraw/zinc/39/22/40/341392240.db2.gz AXOUEIYLHRIFEV-SZVBFZGTSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C(C)CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249121643 341394344 /nfs/dbraw/zinc/39/43/44/341394344.db2.gz AAPCMCZSGYDQPQ-UKRRQHHQSA-N 0 3 307.463 3.006 20 30 DGEDHN COCC1(CCN[C@H](CCC#N)c2ccc(OC)cc2)CC1 ZINC000567857068 341637275 /nfs/dbraw/zinc/63/72/75/341637275.db2.gz YORBPCDMTRIMAV-QGZVFWFLSA-N 0 3 302.418 3.446 20 30 DGEDHN CC[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(CC)CC ZINC000576874703 341867342 /nfs/dbraw/zinc/86/73/42/341867342.db2.gz JUSWUCAECNSZGI-MRXNPFEDSA-N 0 3 305.397 3.193 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C(C)(F)F ZINC001691289746 1176426735 /nfs/dbraw/zinc/42/67/35/1176426735.db2.gz QGDAUAMDUJFURX-JQWIXIFHSA-N 0 3 308.800 3.001 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)[C@@H](C)CC)CCCC1 ZINC001732233835 1176834345 /nfs/dbraw/zinc/83/43/45/1176834345.db2.gz BTYQSFWUXDIGLX-JSGCOSHPSA-N 0 3 300.874 3.440 20 30 DGEDHN CC(C)Oc1ccc([C@@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000288427802 500620740 /nfs/dbraw/zinc/62/07/40/500620740.db2.gz HRZSTVZYYUYBKZ-GOSISDBHSA-N 0 3 324.428 3.455 20 30 DGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599064417 501030076 /nfs/dbraw/zinc/03/00/76/501030076.db2.gz MFEHPXCPMKFAJQ-XTWPYSKKSA-N 0 3 310.319 3.203 20 30 DGEDHN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000355861582 533864149 /nfs/dbraw/zinc/86/41/49/533864149.db2.gz JSGDSQNTNWNGKQ-OLZOCXBDSA-N 0 3 320.820 3.289 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccccc1OCC#N ZINC000177311737 533869736 /nfs/dbraw/zinc/86/97/36/533869736.db2.gz BXIHFSIYRNXBIH-UHFFFAOYSA-N 0 3 323.396 3.211 20 30 DGEDHN C[C@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCCCO1 ZINC000346676069 533928816 /nfs/dbraw/zinc/92/88/16/533928816.db2.gz PIFOBPHPCLBXAS-YJBOKZPZSA-N 0 3 302.418 3.416 20 30 DGEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1cc[nH]c(=O)c1 ZINC000339458724 533929419 /nfs/dbraw/zinc/92/94/19/533929419.db2.gz XRBPELNRTQKWGD-AWEZNQCLSA-N 0 3 311.385 3.321 20 30 DGEDHN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000430185858 533956593 /nfs/dbraw/zinc/95/65/93/533956593.db2.gz KTCUHRABXRCVDK-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN C[C@@H](CNc1nc2ccccn2c1C#N)N(C)Cc1ccccc1 ZINC000302060313 534095896 /nfs/dbraw/zinc/09/58/96/534095896.db2.gz BJBMIMBHCRRRTO-HNNXBMFYSA-N 0 3 319.412 3.138 20 30 DGEDHN Cc1cc2sc(=NC(=O)NC[C@H](C)N(C)C)[nH]c2cc1F ZINC000331253432 534150942 /nfs/dbraw/zinc/15/09/42/534150942.db2.gz VJIDUBMVBCTUIN-VIFPVBQESA-N 0 3 310.398 3.020 20 30 DGEDHN CC(C#N)C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000358938849 534282855 /nfs/dbraw/zinc/28/28/55/534282855.db2.gz YUUODXOMUJTION-ABAIWWIYSA-N 0 3 306.793 3.084 20 30 DGEDHN N#Cc1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000340045319 518196654 /nfs/dbraw/zinc/19/66/54/518196654.db2.gz BQDIZZLCKHBNJY-FQEVSTJZSA-N 0 3 322.408 3.228 20 30 DGEDHN C=C(CC)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000458367833 534408412 /nfs/dbraw/zinc/40/84/12/534408412.db2.gz IBMPCLDMGNZLCR-HNNXBMFYSA-N 0 3 303.450 3.381 20 30 DGEDHN C=CCc1cc(CN(C)[C@H](CO)CC(C)(C)C)cc(OC)c1O ZINC000449588472 534412219 /nfs/dbraw/zinc/41/22/19/534412219.db2.gz QMKRATLAIRGKPB-INIZCTEOSA-N 0 3 321.461 3.358 20 30 DGEDHN C=C(CNC(=O)[C@@H](C(C)C)N1CCCCC1)c1ccccc1 ZINC000488916738 534433154 /nfs/dbraw/zinc/43/31/54/534433154.db2.gz XSSVAHLVDQZYMB-GOSISDBHSA-N 0 3 300.446 3.327 20 30 DGEDHN CC(C)CO[C@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000156708686 519761606 /nfs/dbraw/zinc/76/16/06/519761606.db2.gz ZCFJMBAIAMILSS-SFHVURJKSA-N 0 3 302.418 3.074 20 30 DGEDHN Cc1cn2c(n1)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708027 534511962 /nfs/dbraw/zinc/51/19/62/534511962.db2.gz AYRCYOPXOPZEKU-DZGCQCFKSA-N 0 3 312.392 3.431 20 30 DGEDHN CCN(CC)c1ccc(CNCc2cc(C#N)n(C)c2)cc1F ZINC000190988172 520909433 /nfs/dbraw/zinc/90/94/33/520909433.db2.gz YPUWMCLTLZYNNR-UHFFFAOYSA-N 0 3 314.408 3.172 20 30 DGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(OCC)cc1 ZINC000489449175 534559231 /nfs/dbraw/zinc/55/92/31/534559231.db2.gz NTOJHSWJLAAUJD-MRXNPFEDSA-N 0 3 302.418 3.454 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCCOc1ccc(Cl)cc1Cl ZINC000451599195 534609162 /nfs/dbraw/zinc/60/91/62/534609162.db2.gz NYSHCSVBXLVFGZ-OLZOCXBDSA-N 0 3 302.201 3.305 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)c(Br)c1 ZINC000449516364 534609221 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N#C[C@H]1CC[C@@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000349793194 534755525 /nfs/dbraw/zinc/75/55/25/534755525.db2.gz UVKHBXDNEMXLLY-IINYFYTJSA-N 0 3 321.218 3.166 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000357531910 526273932 /nfs/dbraw/zinc/27/39/32/526273932.db2.gz SFBODGWCOFXJBL-UHFFFAOYSA-N 0 3 323.234 3.428 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185661146 526297438 /nfs/dbraw/zinc/29/74/38/526297438.db2.gz GEUSBVSGGSKFKT-YJBOKZPZSA-N 0 3 318.486 3.441 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355408817 526309261 /nfs/dbraw/zinc/30/92/61/526309261.db2.gz KIEBCQCCSGUNOC-CALCHBBNSA-N 0 3 300.446 3.117 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416021006 526320435 /nfs/dbraw/zinc/32/04/35/526320435.db2.gz YGABXCHDZSVTQI-UHFFFAOYSA-N 0 3 311.385 3.145 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)Nc1cccc(CNC)c1 ZINC000415926257 526320682 /nfs/dbraw/zinc/32/06/82/526320682.db2.gz CWWRYWFMJNQHEL-UHFFFAOYSA-N 0 3 313.401 3.262 20 30 DGEDHN C=CCN(C[C@@H](O)COc1ccc(/C=C/C)cc1OC)C1CC1 ZINC000357551442 526331279 /nfs/dbraw/zinc/33/12/79/526331279.db2.gz ISGCMVIENYWPQY-UKINESCASA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345762289 526363576 /nfs/dbraw/zinc/36/35/76/526363576.db2.gz WSUAXCVKFUTMPY-PBHICJAKSA-N 0 3 319.424 3.006 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C2CC2)C1 ZINC000343954919 526374110 /nfs/dbraw/zinc/37/41/10/526374110.db2.gz NIGSGWOBQCDGBU-GOEBONIOSA-N 0 3 318.486 3.383 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000177888268 526374427 /nfs/dbraw/zinc/37/44/27/526374427.db2.gz OXRPNGWAPAJKSP-KFWWJZLASA-N 0 3 306.475 3.382 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000171721548 526442760 /nfs/dbraw/zinc/44/27/60/526442760.db2.gz IRDIAAWUVGJTPR-HZPDHXFCSA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc(OCC(C)C)c2)CC1 ZINC000171726280 526449582 /nfs/dbraw/zinc/44/95/82/526449582.db2.gz 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ZINC000185345022 526665500 /nfs/dbraw/zinc/66/55/00/526665500.db2.gz BPBQZQODYGQYEK-HNNXBMFYSA-N 0 3 318.486 3.126 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000185135368 526665915 /nfs/dbraw/zinc/66/59/15/526665915.db2.gz CMPGVQUOVMASHI-OAHLLOKOSA-N 0 3 306.475 3.297 20 30 DGEDHN C#CCCCCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000180163800 526684386 /nfs/dbraw/zinc/68/43/86/526684386.db2.gz TUUVIJJBBPOQOG-UHFFFAOYSA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCOCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000348057168 526748189 /nfs/dbraw/zinc/74/81/89/526748189.db2.gz SLZJAMBSDMYWLV-UHFFFAOYSA-N 0 3 308.397 3.067 20 30 DGEDHN C=CCOCCCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347369189 526748949 /nfs/dbraw/zinc/74/89/49/526748949.db2.gz LENMGBNKSUEQCV-CVEARBPZSA-N 0 3 307.459 3.080 20 30 DGEDHN C=CCOCCCN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353259672 526754083 /nfs/dbraw/zinc/75/40/83/526754083.db2.gz NGPYGBWERRWEFK-INIZCTEOSA-N 0 3 305.418 3.131 20 30 DGEDHN C=CCOCCCN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 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C=C(CNCc1cn(C)nc1-c1cccnc1)c1ccccc1 ZINC000340434974 526882002 /nfs/dbraw/zinc/88/20/02/526882002.db2.gz UHOFVAYUDLXNPV-UHFFFAOYSA-N 0 3 304.397 3.285 20 30 DGEDHN C=CCOc1ccc(CNCc2cccc(N3CCC3=O)c2)cc1 ZINC000441231598 526886823 /nfs/dbraw/zinc/88/68/23/526886823.db2.gz RGTQQKXPUGEEPX-UHFFFAOYSA-N 0 3 322.408 3.278 20 30 DGEDHN C=CCOc1cccc(CN(C)CCC(=O)OC(C)(C)C)c1 ZINC000354119315 526895767 /nfs/dbraw/zinc/89/57/67/526895767.db2.gz HGHFNWAUOLSLBJ-UHFFFAOYSA-N 0 3 305.418 3.415 20 30 DGEDHN C=C1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000342188248 526902545 /nfs/dbraw/zinc/90/25/45/526902545.db2.gz XQIRWXZVJUYKQR-IEBWSBKVSA-N 0 3 301.430 3.094 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343394721 526903948 /nfs/dbraw/zinc/90/39/48/526903948.db2.gz GVHZXHAIPHGNPZ-MOPGFXCFSA-N 0 3 310.397 3.266 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000180641977 526928462 /nfs/dbraw/zinc/92/84/62/526928462.db2.gz BARYSDPKCRDKCD-FQEVSTJZSA-N 0 3 324.468 3.379 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000348178566 526982883 /nfs/dbraw/zinc/98/28/83/526982883.db2.gz ZWJPSLWGRWLFEK-CYBMUJFWSA-N 0 3 306.837 3.243 20 30 DGEDHN C=CCSCCN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180459597 527004553 /nfs/dbraw/zinc/00/45/53/527004553.db2.gz JRHLYNARBPGSHJ-ZDUSSCGKSA-N 0 3 306.431 3.213 20 30 DGEDHN C=CCSCCN[C@@H](C)c1sc(CCOC)nc1C ZINC000180459996 527004722 /nfs/dbraw/zinc/00/47/22/527004722.db2.gz NZCLNWNOKFKSKJ-NSHDSACASA-N 0 3 300.493 3.210 20 30 DGEDHN C=CCC(C)(C)CN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000340424347 527019569 /nfs/dbraw/zinc/01/95/69/527019569.db2.gz PUBHSFFMWUZYLP-OAHLLOKOSA-N 0 3 309.475 3.349 20 30 DGEDHN C=CC[C@H](C)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000116972054 527126515 /nfs/dbraw/zinc/12/65/15/527126515.db2.gz UVNNSQVXMHHTOO-HNNXBMFYSA-N 0 3 303.450 3.244 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(S(=O)(=O)CC)s1 ZINC000355129849 527139044 /nfs/dbraw/zinc/13/90/44/527139044.db2.gz XHIBEVVCYMUHSS-NWDGAFQWSA-N 0 3 301.477 3.232 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000341315969 527185501 /nfs/dbraw/zinc/18/55/01/527185501.db2.gz UVNPRKAKWYETMW-ZDUSSCGKSA-N 0 3 316.357 3.129 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000341892236 527188539 /nfs/dbraw/zinc/18/85/39/527188539.db2.gz WOXDCOPJRNMUFP-RYUDHWBXSA-N 0 3 313.825 3.192 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](Cc1ccccc1)N(C)C ZINC000302131338 527232544 /nfs/dbraw/zinc/23/25/44/527232544.db2.gz YFXLSYYOJHPQQP-GOSISDBHSA-N 0 3 321.424 3.346 20 30 DGEDHN C=CCn1c(C)nnc1SCCN(C)Cc1ccc(F)cc1 ZINC000185682294 527302685 /nfs/dbraw/zinc/30/26/85/527302685.db2.gz SKGSBWKRXZRZFH-UHFFFAOYSA-N 0 3 320.437 3.136 20 30 DGEDHN C=CCCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000355064533 527316122 /nfs/dbraw/zinc/31/61/22/527316122.db2.gz YKXOWQFWAUFZOH-MRXNPFEDSA-N 0 3 322.399 3.178 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC1CCC1 ZINC000430967268 527319238 /nfs/dbraw/zinc/31/92/38/527319238.db2.gz RHFIDDHZCNLTQR-UHFFFAOYSA-N 0 3 306.479 3.137 20 30 DGEDHN C=CCCN[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000172942305 527327792 /nfs/dbraw/zinc/32/77/92/527327792.db2.gz AKXSXXMFTSVJRB-GOSISDBHSA-N 0 3 315.438 3.345 20 30 DGEDHN C=CCn1c2ccccc2nc1SCCN1CCCOCC1 ZINC000412981188 527361912 /nfs/dbraw/zinc/36/19/12/527361912.db2.gz UWYCXCBSZZYVDV-UHFFFAOYSA-N 0 3 317.458 3.037 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000359792714 527371720 /nfs/dbraw/zinc/37/17/20/527371720.db2.gz LHFUTUPZCTYEGD-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000354118326 527376793 /nfs/dbraw/zinc/37/67/93/527376793.db2.gz VVFAVFKDTFQKIX-HOTGVXAUSA-N 0 3 318.461 3.213 20 30 DGEDHN C=CCC[C@@H](NC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000435109476 527441618 /nfs/dbraw/zinc/44/16/18/527441618.db2.gz SHOGNUUWUJHZCR-QGZVFWFLSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCC[C@@H](NCCc1cccc(C(=O)NC)c1)c1ccco1 ZINC000356099222 527447408 /nfs/dbraw/zinc/44/74/08/527447408.db2.gz XEJHLCXTUGSWBS-QGZVFWFLSA-N 0 3 312.413 3.479 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683692 527462698 /nfs/dbraw/zinc/46/26/98/527462698.db2.gz BBCVBYHJPSPLHW-OLZOCXBDSA-N 0 3 306.372 3.199 20 30 DGEDHN CC(C)(C#N)CCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000342603808 527466336 /nfs/dbraw/zinc/46/63/36/527466336.db2.gz BZPABCZTWXRRMV-UHFFFAOYSA-N 0 3 305.466 3.087 20 30 DGEDHN C=CCC[C@H](NC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000185577573 527475801 /nfs/dbraw/zinc/47/58/01/527475801.db2.gz DOXRUZXRXYPCQE-SFHVURJKSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCCc1ccccc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415677949 527508846 /nfs/dbraw/zinc/50/88/46/527508846.db2.gz VPKPLPNWGNYXLE-XJKSGUPXSA-N 0 3 317.433 3.040 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000337601437 527510026 /nfs/dbraw/zinc/51/00/26/527510026.db2.gz NFNCNEGLCHXZAZ-ZBFHGGJFSA-N 0 3 301.434 3.409 20 30 DGEDHN C=CCN(C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000357889181 527540724 /nfs/dbraw/zinc/54/07/24/527540724.db2.gz YMVFIKLWOSDIBL-RDJZCZTQSA-N 0 3 313.445 3.009 20 30 DGEDHN C=C[C@H](CO)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000352453943 527592038 /nfs/dbraw/zinc/59/20/38/527592038.db2.gz QPAACLKDFLHLQV-QGZVFWFLSA-N 0 3 301.361 3.041 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CCc1cccs1 ZINC000343575526 527624239 /nfs/dbraw/zinc/62/42/39/527624239.db2.gz GFPWNXANMZNVQB-OAHLLOKOSA-N 0 3 306.475 3.202 20 30 DGEDHN CC(C)C1CCC(N(C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000433175435 527639778 /nfs/dbraw/zinc/63/97/78/527639778.db2.gz OEKJQOFMKXPVEG-LEOMRAHMSA-N 0 3 307.482 3.187 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C)cn1)C(C)C ZINC000345231675 527646998 /nfs/dbraw/zinc/64/69/98/527646998.db2.gz GHAHQOLNNHMFNU-INIZCTEOSA-N 0 3 316.449 3.210 20 30 DGEDHN CC(C)CCN(CCC#N)C(=O)c1ccc(CN(C)C)cc1 ZINC000103440102 527713610 /nfs/dbraw/zinc/71/36/10/527713610.db2.gz LVOCGPZENAJXOO-UHFFFAOYSA-N 0 3 301.434 3.150 20 30 DGEDHN CC(C)CCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354478578 527776846 /nfs/dbraw/zinc/77/68/46/527776846.db2.gz VILXONYEPBLFNU-INIZCTEOSA-N 0 3 309.369 3.392 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(OC)c2)C12CCC2 ZINC000442877305 527902421 /nfs/dbraw/zinc/90/24/21/527902421.db2.gz AIOSUVURAHJQRH-ZWKOTPCHSA-N 0 3 314.429 3.346 20 30 DGEDHN CC(C)CN(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000355662953 527938406 /nfs/dbraw/zinc/93/84/06/527938406.db2.gz CBMILJKDQOSBJV-SFHVURJKSA-N 0 3 315.461 3.120 20 30 DGEDHN CCCC(O)(CCC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433340678 528015095 /nfs/dbraw/zinc/01/50/95/528015095.db2.gz FTIGKSOTLGBAEW-QGZVFWFLSA-N 0 3 316.445 3.206 20 30 DGEDHN CC1=CCN(CCNc2ccc(Br)cc2C#N)CC1 ZINC000302131052 528120373 /nfs/dbraw/zinc/12/03/73/528120373.db2.gz BJTMKRMWAOGJCE-UHFFFAOYSA-N 0 3 320.234 3.385 20 30 DGEDHN CCCN(Cc1ccccc1Br)C(=O)C(C)C#N ZINC000347063805 528147650 /nfs/dbraw/zinc/14/76/50/528147650.db2.gz HPKNJYDREBDNDP-LLVKDONJSA-N 0 3 309.207 3.347 20 30 DGEDHN CC(C)Oc1ccc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185832422 528210642 /nfs/dbraw/zinc/21/06/42/528210642.db2.gz IGFMXYLHJOFJRL-YXJHDRRASA-N 0 3 302.418 3.179 20 30 DGEDHN CC(C)Oc1cccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185829706 528244125 /nfs/dbraw/zinc/24/41/25/528244125.db2.gz FYWOCOZIPYZGTI-QILLFSRXSA-N 0 3 302.418 3.179 20 30 DGEDHN CCOc1cc(CNCC2(CC#N)CC2)ccc1OC(F)F ZINC000430039172 528274889 /nfs/dbraw/zinc/27/48/89/528274889.db2.gz DFTYNWJIBPYVNM-UHFFFAOYSA-N 0 3 310.344 3.470 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104706930 528363707 /nfs/dbraw/zinc/36/37/07/528363707.db2.gz ULTMKHOTNZJVGU-GOSISDBHSA-N 0 3 317.408 3.019 20 30 DGEDHN CC(C)c1ncncc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330951942 528378500 /nfs/dbraw/zinc/37/85/00/528378500.db2.gz FAXZXURFQPFVFW-UHFFFAOYSA-N 0 3 304.438 3.027 20 30 DGEDHN CCCCN(CC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343264500 528396453 /nfs/dbraw/zinc/39/64/53/528396453.db2.gz VRSDYFXLELDCDH-PQUAAJSLSA-N 0 3 307.482 3.428 20 30 DGEDHN CCC(CC)CN(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000434688207 528743479 /nfs/dbraw/zinc/74/34/79/528743479.db2.gz JPLQZZFRCLQAPE-UHFFFAOYSA-N 0 3 305.422 3.465 20 30 DGEDHN CCOCCOCc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442714394 528811188 /nfs/dbraw/zinc/81/11/88/528811188.db2.gz LHMJGOINALYDHT-MAUKXSAKSA-N 0 3 302.418 3.022 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1cccc(C#N)c1F ZINC000429250300 528866828 /nfs/dbraw/zinc/86/68/28/528866828.db2.gz AGKSRTZBMBNLRW-UHFFFAOYSA-N 0 3 314.408 3.368 20 30 DGEDHN CC(C)N(CCC(=O)Nc1ccccc1C#N)Cc1ccco1 ZINC000299407728 528877975 /nfs/dbraw/zinc/87/79/75/528877975.db2.gz YIYOMLFPRYZEJZ-UHFFFAOYSA-N 0 3 311.385 3.390 20 30 DGEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)Nc1ccc(C#N)cc1 ZINC000445886449 528979353 /nfs/dbraw/zinc/97/93/53/528979353.db2.gz PZIQMCXNPIVAMF-ZDUSSCGKSA-N 0 3 313.323 3.063 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355978131 529011029 /nfs/dbraw/zinc/01/10/29/529011029.db2.gz CCKDQFSXEMGQCY-MSOLQXFVSA-N 0 3 313.445 3.065 20 30 DGEDHN CCN(C(=O)C(C)C#N)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000345647089 529032907 /nfs/dbraw/zinc/03/29/07/529032907.db2.gz SRROSWURUOINED-YJBOKZPZSA-N 0 3 307.397 3.488 20 30 DGEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)cc2OC)C[C@@H]1OC ZINC000429284168 529094315 /nfs/dbraw/zinc/09/43/15/529094315.db2.gz JJBHSYICZHHULA-IRXDYDNUSA-N 0 3 302.418 3.250 20 30 DGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)CCS1 ZINC000433367416 529096732 /nfs/dbraw/zinc/09/67/32/529096732.db2.gz QMKHTVKPSXHJBJ-OAHLLOKOSA-N 0 3 302.443 3.113 20 30 DGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000346663495 529181716 /nfs/dbraw/zinc/18/17/16/529181716.db2.gz GEMORKXWJFHUFO-FUHWJXTLSA-N 0 3 315.461 3.468 20 30 DGEDHN CC[C@H](C)n1ncc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1C ZINC000331141140 529291858 /nfs/dbraw/zinc/29/18/58/529291858.db2.gz REJKOKMZVYQBMT-QWHCGFSZSA-N 0 3 319.453 3.139 20 30 DGEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343454284 529314610 /nfs/dbraw/zinc/31/46/10/529314610.db2.gz VHCPKFBOWIOVMG-JBCIKUTRSA-N 0 3 307.482 3.284 20 30 DGEDHN COc1ccc2oc([C@@H](C)NCCOCCC#N)c(C)c2c1 ZINC000294736061 546423853 /nfs/dbraw/zinc/42/38/53/546423853.db2.gz WPCIQZLVCRMHJI-CYBMUJFWSA-N 0 3 302.374 3.331 20 30 DGEDHN Cc1cc(N[C@H]2CCCN(Cc3ccccc3)C2)cc(C#N)n1 ZINC000308272696 546449170 /nfs/dbraw/zinc/44/91/70/546449170.db2.gz FILJVJYCKBTLRH-KRWDZBQOSA-N 0 3 306.413 3.338 20 30 DGEDHN N#CC1(C(=O)NCC2(N3CCCC3)CCOCC2)CCCCC1 ZINC000329112658 546483575 /nfs/dbraw/zinc/48/35/75/546483575.db2.gz RLRGBGRSHSEAQQ-UHFFFAOYSA-N 0 3 319.449 3.062 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC000352269737 546651004 /nfs/dbraw/zinc/65/10/04/546651004.db2.gz XHAHTCWEAVQQQH-QWHCGFSZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(CC)CCC(F)(F)CC2)CC1 ZINC000668370129 547446458 /nfs/dbraw/zinc/44/64/58/547446458.db2.gz OCRLHVOXMDVMBF-UHFFFAOYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H]3COC[C@]3(C)C2)ccc1OC ZINC000668594852 547488138 /nfs/dbraw/zinc/48/81/38/547488138.db2.gz HWVXEHKXPYMGAY-APWZRJJASA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H]3COC[C@@]3(C)C2)cc1Cl ZINC000668595274 547488394 /nfs/dbraw/zinc/48/83/94/547488394.db2.gz LFADXQQMDKMHEV-RHSMWYFYSA-N 0 3 307.821 3.373 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H]3COC[C@@]3(C)C2)ccc1OC ZINC000668594854 547488815 /nfs/dbraw/zinc/48/88/15/547488815.db2.gz HWVXEHKXPYMGAY-QFBILLFUSA-N 0 3 317.429 3.118 20 30 DGEDHN C(#CCN1CC[C@H](c2ccco2)C1)CN1CC[C@@H](c2ccco2)C1 ZINC000671241561 547780670 /nfs/dbraw/zinc/78/06/70/547780670.db2.gz ZVQFJBHFKBARJE-HDICACEKSA-N 0 3 324.424 3.155 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000676630509 548388383 /nfs/dbraw/zinc/38/83/83/548388383.db2.gz WCCMYRIBEOONRF-NRFANRHFSA-N 0 3 322.427 3.384 20 30 DGEDHN COCC#CCN1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000677133058 548457985 /nfs/dbraw/zinc/45/79/85/548457985.db2.gz FXCNGQLFRMELJR-UHFFFAOYSA-N 0 3 312.413 3.006 20 30 DGEDHN COCC#CCN(Cc1cccc(Br)c1)C(C)C ZINC000677818135 548561337 /nfs/dbraw/zinc/56/13/37/548561337.db2.gz FZKMEHYIQIUHPL-UHFFFAOYSA-N 0 3 310.235 3.309 20 30 DGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000678752052 548757087 /nfs/dbraw/zinc/75/70/87/548757087.db2.gz PABRHKPWZDHPMH-HOCLYGCPSA-N 0 3 307.434 3.318 20 30 DGEDHN C=CCOc1cccc(CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000680333180 549030456 /nfs/dbraw/zinc/03/04/56/549030456.db2.gz JZSPYVJGCQHWGQ-SFHVURJKSA-N 0 3 301.430 3.500 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000680991964 549141260 /nfs/dbraw/zinc/14/12/60/549141260.db2.gz JIOJTNPVQCPUMJ-HNAYVOBHSA-N 0 3 313.828 3.446 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000682383430 549312877 /nfs/dbraw/zinc/31/28/77/549312877.db2.gz ZRCOXCMDBQLZHK-IEBWSBKVSA-N 0 3 300.446 3.322 20 30 DGEDHN CC[C@]1(NCC#Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000683041435 549420995 /nfs/dbraw/zinc/42/09/95/549420995.db2.gz KXHZPFIDPUFOTR-HNNXBMFYSA-N 0 3 313.319 3.095 20 30 DGEDHN C=CCCCC[C@H](C)NCc1c(Br)cnn1C ZINC000683774401 549534381 /nfs/dbraw/zinc/53/43/81/549534381.db2.gz PBEBVKSVQLKHPQ-NSHDSACASA-N 0 3 300.244 3.407 20 30 DGEDHN C=CCCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000684136522 549583906 /nfs/dbraw/zinc/58/39/06/549583906.db2.gz HWMOCCYITRYMMO-GOSISDBHSA-N 0 3 315.461 3.479 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnc(-c2ccccc2)nc1 ZINC000684767711 549689935 /nfs/dbraw/zinc/68/99/35/549689935.db2.gz QCDFMOZQRRVKDT-QZTJIDSGSA-N 0 3 309.413 3.214 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc(-c2ccccc2)nc1 ZINC000684767710 549690074 /nfs/dbraw/zinc/69/00/74/549690074.db2.gz QCDFMOZQRRVKDT-MSOLQXFVSA-N 0 3 309.413 3.214 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000730384158 574528641 /nfs/dbraw/zinc/52/86/41/574528641.db2.gz ZHONKIBKFVFSNW-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN CCCCCCCC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000730791023 574536141 /nfs/dbraw/zinc/53/61/41/574536141.db2.gz OFFKSDFVKUSEKS-UHFFFAOYSA-N 0 3 312.498 3.353 20 30 DGEDHN C#CCOc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC000731012502 574541678 /nfs/dbraw/zinc/54/16/78/574541678.db2.gz NHKARDSOMBTHDH-SFHVURJKSA-N 0 3 314.429 3.148 20 30 DGEDHN C#CCOc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000733327961 574616206 /nfs/dbraw/zinc/61/62/06/574616206.db2.gz NQKSDUQEVRPOEW-FQEVSTJZSA-N 0 3 307.393 3.102 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H]1OCCc2ccccc21 ZINC000733328501 574616285 /nfs/dbraw/zinc/61/62/85/574616285.db2.gz XQXCOHFVPAPRFZ-FQEVSTJZSA-N 0 3 307.393 3.102 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H]2OCCc3ccccc32)cc1 ZINC000733327152 574616365 /nfs/dbraw/zinc/61/63/65/574616365.db2.gz AXLMIOFPNQAKOP-OAQYLSRUSA-N 0 3 321.420 3.492 20 30 DGEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000733677657 574633723 /nfs/dbraw/zinc/63/37/23/574633723.db2.gz QEHCIJDCOWHHGT-IIYDPXPESA-N 0 3 311.385 3.334 20 30 DGEDHN CCC(CC)NN=Cc1ccc(OCCN2CCCC2)cc1 ZINC000734366474 574657820 /nfs/dbraw/zinc/65/78/20/574657820.db2.gz SYLLBGLWMXMQGF-UHFFFAOYSA-N 0 3 303.450 3.273 20 30 DGEDHN C=CCN1CCC(NC(=S)N[C@@H](CC)c2cccs2)CC1 ZINC000734377772 574658676 /nfs/dbraw/zinc/65/86/76/574658676.db2.gz LXRWFOVTBHKMJA-AWEZNQCLSA-N 0 3 323.531 3.314 20 30 DGEDHN Cc1ccccc1COc1c(C)cc(C=NNC(=N)N)cc1C ZINC000734744587 574675497 /nfs/dbraw/zinc/67/54/97/574675497.db2.gz UFMYPEDIEPHKRK-UHFFFAOYSA-N 0 3 310.401 3.008 20 30 DGEDHN CC[N@H+](CCC(C)(C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538516 574757758 /nfs/dbraw/zinc/75/77/58/574757758.db2.gz XWTGFFCJLXVVNG-ZDUSSCGKSA-N 0 3 312.421 3.189 20 30 DGEDHN CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538516 574757759 /nfs/dbraw/zinc/75/77/59/574757759.db2.gz XWTGFFCJLXVVNG-ZDUSSCGKSA-N 0 3 312.421 3.189 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC000740737749 574940753 /nfs/dbraw/zinc/94/07/53/574940753.db2.gz VMEBMFSNOOYKAT-KRWDZBQOSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cc(CCC)c(C)s2)CC1 ZINC000740736192 574940885 /nfs/dbraw/zinc/94/08/85/574940885.db2.gz IQHUJCYTQNOQFV-UHFFFAOYSA-N 0 3 318.486 3.227 20 30 DGEDHN C=C(C)CNC(=S)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000740772187 574941994 /nfs/dbraw/zinc/94/19/94/574941994.db2.gz SJBLFGLCRHNHBW-MRXNPFEDSA-N 0 3 317.502 3.033 20 30 DGEDHN C[C@@H]1C[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000740881640 574944864 /nfs/dbraw/zinc/94/48/64/574944864.db2.gz CESVNYFTEDEVQW-UPJWGTAASA-N 0 3 313.426 3.203 20 30 DGEDHN C=CC1CCN(CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000740877622 574944955 /nfs/dbraw/zinc/94/49/55/574944955.db2.gz UDVMZMOPTDYHNM-UHFFFAOYSA-N 0 3 313.397 3.378 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000740900183 574945584 /nfs/dbraw/zinc/94/55/84/574945584.db2.gz LHICHRIHBKTZAF-KRWDZBQOSA-N 0 3 315.438 3.364 20 30 DGEDHN Cc1c(Cl)cccc1NC(=S)NN=C1CCN(C)[C@@H](C)C1 ZINC000741456167 574958368 /nfs/dbraw/zinc/95/83/68/574958368.db2.gz GTMDKEARQBRXLH-JTQLQIEISA-N 0 3 324.881 3.405 20 30 DGEDHN N#CCCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741333428 574955896 /nfs/dbraw/zinc/95/58/96/574955896.db2.gz VGNKTGRXWSXFQX-UHFFFAOYSA-N 0 3 300.402 3.136 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2cccc(C)c2C)[C@@H](C)C1 ZINC000741453584 574958308 /nfs/dbraw/zinc/95/83/08/574958308.db2.gz TUCUIDPVKUGFEB-ZDUSSCGKSA-N 0 3 318.490 3.308 20 30 DGEDHN C#CCOc1ccc(CNC2(c3ccccc3)CCOCC2)cc1 ZINC000742373363 574993682 /nfs/dbraw/zinc/99/36/82/574993682.db2.gz WBPZURSVTCOIKR-UHFFFAOYSA-N 0 3 321.420 3.494 20 30 DGEDHN C#CCOc1ccc(CNC[C@H](C)Oc2cccc(F)c2)cc1 ZINC000742379739 574993902 /nfs/dbraw/zinc/99/39/02/574993902.db2.gz GUFRCVILDRQYTC-HNNXBMFYSA-N 0 3 313.372 3.395 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](C)Oc1ccc(F)cc1 ZINC000742380680 574994401 /nfs/dbraw/zinc/99/44/01/574994401.db2.gz IIQAKTYGKXJVBV-HNNXBMFYSA-N 0 3 313.372 3.395 20 30 DGEDHN C=CC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccncc1 ZINC000743414969 575049887 /nfs/dbraw/zinc/04/98/87/575049887.db2.gz GPNGCANDSPHERY-NVXWUHKLSA-N 0 3 301.434 3.080 20 30 DGEDHN CCCCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000744093239 575072013 /nfs/dbraw/zinc/07/20/13/575072013.db2.gz JJHZVKGVSLXAJZ-UHFFFAOYSA-N 0 3 315.461 3.419 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3Cc4ccccc43)nc21 ZINC000744159534 575075477 /nfs/dbraw/zinc/07/54/77/575075477.db2.gz DOYVYDCLZNPLAG-GJZGRUSLSA-N 0 3 301.349 3.388 20 30 DGEDHN CCCCCCCN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000740875559 575229583 /nfs/dbraw/zinc/22/95/83/575229583.db2.gz BRMPPDQTKCFAQX-UHFFFAOYSA-N 0 3 324.490 3.387 20 30 DGEDHN C[C@H](NCc1cnn2ccccc12)c1ccc(OCC#N)cc1 ZINC000729686030 575260593 /nfs/dbraw/zinc/26/05/93/575260593.db2.gz SIDRYDBUDTVIAT-AWEZNQCLSA-N 0 3 306.369 3.087 20 30 DGEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000729887888 575265490 /nfs/dbraw/zinc/26/54/90/575265490.db2.gz FCQWXIQJDMZUNH-CJNGLKHVSA-N 0 3 314.385 3.050 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2cccc(C)c2C)CC1 ZINC000729942803 575267750 /nfs/dbraw/zinc/26/77/50/575267750.db2.gz SPLMYAQMBMEVNW-UHFFFAOYSA-N 0 3 303.475 3.240 20 30 DGEDHN CC[C@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000744937437 575365276 /nfs/dbraw/zinc/36/52/76/575365276.db2.gz DSHNNKHQORDSMW-CABZTGNLSA-N 0 3 307.300 3.033 20 30 DGEDHN CN(C)[C@@H](C/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000746816759 575476456 /nfs/dbraw/zinc/47/64/56/575476456.db2.gz UFIUORABYQVQNV-HNIBHBHRSA-N 0 3 318.804 3.473 20 30 DGEDHN CC[C@H](NCc1cc(C#N)cs1)[C@H](O)c1c(F)cccc1F ZINC000748099523 575561957 /nfs/dbraw/zinc/56/19/57/575561957.db2.gz VCVJNUBZNSTWSU-HOCLYGCPSA-N 0 3 322.380 3.500 20 30 DGEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCCCCCC1 ZINC000748806359 575608132 /nfs/dbraw/zinc/60/81/32/575608132.db2.gz YBNCEXPLDVEZFG-UHFFFAOYSA-N 0 3 305.466 3.374 20 30 DGEDHN C#CCOc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000749248731 575638654 /nfs/dbraw/zinc/63/86/54/575638654.db2.gz XVORELAHXQTVPU-GOSISDBHSA-N 0 3 312.413 3.044 20 30 DGEDHN C=C(C)CNC(=S)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000751041056 575769323 /nfs/dbraw/zinc/76/93/23/575769323.db2.gz XAMZTWBJTGFFRW-NVXWUHKLSA-N 0 3 317.502 3.080 20 30 DGEDHN C#CCCN1CCC(NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000751993552 575816885 /nfs/dbraw/zinc/81/68/85/575816885.db2.gz UOJYOULLSOQZNW-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C#Cc1cccc(NC(=S)NCC(C)(C)N2CCCCC2)c1 ZINC000726440137 576024097 /nfs/dbraw/zinc/02/40/97/576024097.db2.gz GKMJRHFNTHJEIW-UHFFFAOYSA-N 0 3 315.486 3.219 20 30 DGEDHN CC[C@@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727833304 576148445 /nfs/dbraw/zinc/14/84/45/576148445.db2.gz QTQBTIXZYXRFEZ-CABCVRRESA-N 0 3 320.396 3.098 20 30 DGEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916911601 620650029 /nfs/dbraw/zinc/65/00/29/620650029.db2.gz NPGKYVMVCJWBAE-SECBINFHSA-N 0 3 314.719 3.423 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2CCC=CCC2)CC1 ZINC000917097884 620656331 /nfs/dbraw/zinc/65/63/31/620656331.db2.gz MEANQAQKRFULFZ-UHFFFAOYSA-N 0 3 305.466 3.073 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](O)c1cccc(Cl)c1 ZINC000918198338 620702016 /nfs/dbraw/zinc/70/20/16/620702016.db2.gz VONHTXDHYZDOPV-KRWDZBQOSA-N 0 3 315.800 3.175 20 30 DGEDHN C=CCN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H](C)COC ZINC000853532834 620707376 /nfs/dbraw/zinc/70/73/76/620707376.db2.gz NJNWUGPAMSIVPL-CYBMUJFWSA-N 0 3 307.434 3.418 20 30 DGEDHN CCn1ccnc1[C@@H](N[C@@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000926414464 618005038 /nfs/dbraw/zinc/00/50/38/618005038.db2.gz ZIGSRUXNXHBPKY-HOCLYGCPSA-N 0 3 318.465 3.289 20 30 DGEDHN CCCCCCCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000919860932 620769271 /nfs/dbraw/zinc/76/92/71/620769271.db2.gz KCROYURTOVRCCH-UHFFFAOYSA-N 0 3 318.465 3.132 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892466068 618072723 /nfs/dbraw/zinc/07/27/23/618072723.db2.gz XLZOEUTYFNFORV-DKUMPPAJSA-N 0 3 322.474 3.066 20 30 DGEDHN N#CC(C(=O)CCF)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000892485026 618079079 /nfs/dbraw/zinc/07/90/79/618079079.db2.gz SRJYBSSNEUSLRH-SNVBAGLBSA-N 0 3 316.304 3.008 20 30 DGEDHN N#CC(C(=O)Cc1cc2ccccc2o1)C(=O)Nc1ccccc1 ZINC000920108601 620783692 /nfs/dbraw/zinc/78/36/92/620783692.db2.gz IPUFVTPDQICXAW-MRXNPFEDSA-N 0 3 318.332 3.323 20 30 DGEDHN C=C1CCN(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000894761673 618451671 /nfs/dbraw/zinc/45/16/71/618451671.db2.gz AOPDAOIZKCXPQO-HUUCEWRRSA-N 0 3 305.422 3.070 20 30 DGEDHN C#C[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000894793782 618462253 /nfs/dbraw/zinc/46/22/53/618462253.db2.gz IHIVKFWMHAKDAL-IRXDYDNUSA-N 0 3 319.832 3.332 20 30 DGEDHN N#Cc1cc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)cs1 ZINC000895018011 618514771 /nfs/dbraw/zinc/51/47/71/618514771.db2.gz JUMKKXQGFGHDIJ-INIZCTEOSA-N 0 3 302.443 3.401 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000925649184 618520248 /nfs/dbraw/zinc/52/02/48/618520248.db2.gz BQRCVDZVJVWQCX-ZFWWWQNUSA-N 0 3 317.408 3.239 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3nc(C)cc(C)c3c2)CC1 ZINC000895061646 618522668 /nfs/dbraw/zinc/52/26/68/618522668.db2.gz DZOCZWHIGRFLHM-UHFFFAOYSA-N 0 3 321.424 3.135 20 30 DGEDHN C=CCOCCNCc1sccc1NC(=O)OC(C)(C)C ZINC000893475087 618566780 /nfs/dbraw/zinc/56/67/80/618566780.db2.gz ILIPVHQEOAYHHK-UHFFFAOYSA-N 0 3 312.435 3.387 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000888954488 618595656 /nfs/dbraw/zinc/59/56/56/618595656.db2.gz OLYNBMQJQXIIML-UHFFFAOYSA-N 0 3 313.445 3.051 20 30 DGEDHN C#CCCN(CCOC)Cc1cn(CC)nc1-c1ccccc1 ZINC000895349406 618600178 /nfs/dbraw/zinc/60/01/78/618600178.db2.gz FLVNZOWUPGYBPC-UHFFFAOYSA-N 0 3 311.429 3.042 20 30 DGEDHN CN(Cc1ccccc1)C[C@@H](OC(=O)CC1(C#N)CC1)C1CC1 ZINC000893697420 618641707 /nfs/dbraw/zinc/64/17/07/618641707.db2.gz PKISNPJTDWXBLW-QGZVFWFLSA-N 0 3 312.413 3.134 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CCC3(CCC3)O2)c1 ZINC000897246721 619036936 /nfs/dbraw/zinc/03/69/36/619036936.db2.gz YYXHWXWZMMKWQE-AWEZNQCLSA-N 0 3 305.809 3.188 20 30 DGEDHN Cc1ccnc(N)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897589282 619163480 /nfs/dbraw/zinc/16/34/80/619163480.db2.gz VUVAKFPAMWMISI-UHFFFAOYSA-N 0 3 306.413 3.224 20 30 DGEDHN N#Cc1csc(CNC2CCC(OC3CCCC3)CC2)n1 ZINC000897630491 619169222 /nfs/dbraw/zinc/16/92/22/619169222.db2.gz ZXUPSXCWLRBUQP-UHFFFAOYSA-N 0 3 305.447 3.375 20 30 DGEDHN C=CC(C)(C)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897898640 619193407 /nfs/dbraw/zinc/19/34/07/619193407.db2.gz OTUXBNAWLKFCEV-MRXNPFEDSA-N 0 3 304.434 3.063 20 30 DGEDHN CC1(C)CC2(CC(NCc3cc(C#N)cnc3Cl)C2)CO1 ZINC000897971193 619196455 /nfs/dbraw/zinc/19/64/55/619196455.db2.gz VPBFQDWAUHSMDZ-UHFFFAOYSA-N 0 3 305.809 3.044 20 30 DGEDHN CCCCCCC[C@@H](C)[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898158501 619218914 /nfs/dbraw/zinc/21/89/14/619218914.db2.gz XQZBGHVXBFCCOF-CABCVRRESA-N 0 3 306.454 3.100 20 30 DGEDHN CC(C)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000927067375 619261648 /nfs/dbraw/zinc/26/16/48/619261648.db2.gz GGQGTSHPHUXEIC-SJKOYZFVSA-N 0 3 300.381 3.479 20 30 DGEDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccc(C#N)c1[O-] ZINC000924716886 619264767 /nfs/dbraw/zinc/26/47/67/619264767.db2.gz ROYNOCTUDHGCNR-RHSMWYFYSA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@@H](NCCNc1ccc(C#N)cn1)c1ccccc1Cl ZINC000927163555 619308464 /nfs/dbraw/zinc/30/84/64/619308464.db2.gz DXOAHNANFONUET-GFCCVEGCSA-N 0 3 300.793 3.369 20 30 DGEDHN C#CCCCc1nnc(NC2CCN(Cc3ccccc3)CC2)o1 ZINC000899252305 619323109 /nfs/dbraw/zinc/32/31/09/619323109.db2.gz HRPQHBFMYHPBEY-UHFFFAOYSA-N 0 3 324.428 3.102 20 30 DGEDHN CCc1ccc([C@@H](CN[C@@H](C)c2cc(C#N)ccn2)N(C)C)cc1 ZINC000902720698 619665869 /nfs/dbraw/zinc/66/58/69/619665869.db2.gz MMCYALMOUVDKEY-MGPUTAFESA-N 0 3 322.456 3.469 20 30 DGEDHN CC[C@H](NCC(=O)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000902756854 619671121 /nfs/dbraw/zinc/67/11/21/619671121.db2.gz MUIOWVNDTCLPCP-IBGZPJMESA-N 0 3 321.424 3.258 20 30 DGEDHN C[C@@H](NCCOc1cccc(Cl)c1)c1cc(C#N)ccn1 ZINC000902770782 619673475 /nfs/dbraw/zinc/67/34/75/619673475.db2.gz VANWRRPMLDYXSQ-GFCCVEGCSA-N 0 3 301.777 3.336 20 30 DGEDHN C#CCN(C(=O)Nc1cc(Cl)ccc1C)C1CCN(C)CC1 ZINC000902986280 619699487 /nfs/dbraw/zinc/69/94/87/619699487.db2.gz VJTWVMUZNVRDGG-UHFFFAOYSA-N 0 3 319.836 3.210 20 30 DGEDHN C#CCN(C(=O)Nc1cccc2ccccc21)C1CCN(C)CC1 ZINC000902986176 619699518 /nfs/dbraw/zinc/69/95/18/619699518.db2.gz SZJBRZCPVXTRPM-UHFFFAOYSA-N 0 3 321.424 3.401 20 30 DGEDHN C#CCN(C(=O)Nc1ccccc1C(C)C)C1CCN(C)CC1 ZINC000902984846 619699671 /nfs/dbraw/zinc/69/96/71/619699671.db2.gz BFOJHNAIUAQTSK-UHFFFAOYSA-N 0 3 313.445 3.371 20 30 DGEDHN CC[C@@]1(CN[C@H](C)c2cc(C#N)ccn2)OCCc2ccccc21 ZINC000902992726 619700857 /nfs/dbraw/zinc/70/08/57/619700857.db2.gz LHXVPSHISFNXNC-QRWLVFNGSA-N 0 3 321.424 3.482 20 30 DGEDHN CC[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cccc(C#N)c1 ZINC000902992575 619700869 /nfs/dbraw/zinc/70/08/69/619700869.db2.gz BHRCHSMOJKXNAT-JENIJYKNSA-N 0 3 308.381 3.094 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1cccc(C#N)c1 ZINC000903017594 619702183 /nfs/dbraw/zinc/70/21/83/619702183.db2.gz WCIVWXUQTZMKJN-YOEHRIQHSA-N 0 3 322.412 3.330 20 30 DGEDHN C[C@@H](NCCc1cccc(C(F)(F)F)n1)c1cc(C#N)ccn1 ZINC000903001209 619703446 /nfs/dbraw/zinc/70/34/46/619703446.db2.gz QWIMLJYMMWHPTO-LLVKDONJSA-N 0 3 320.318 3.260 20 30 DGEDHN C[C@@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903025425 619706477 /nfs/dbraw/zinc/70/64/77/619706477.db2.gz DMRPVFKCOVIYJX-CYBMUJFWSA-N 0 3 317.433 3.362 20 30 DGEDHN CC[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1cccc(C#N)c1 ZINC000903047556 619710243 /nfs/dbraw/zinc/71/02/43/619710243.db2.gz PRSLYNVCAGCBST-ZWKOTPCHSA-N 0 3 319.408 3.187 20 30 DGEDHN C(=NNCCc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000789124456 625365657 /nfs/dbraw/zinc/36/56/57/625365657.db2.gz GWQOQUMLCMNIFT-UHFFFAOYSA-N 0 3 308.429 3.238 20 30 DGEDHN O=C(C1CC[NH+](C2CC2)CC1)N([O-])CCCCc1ccccc1 ZINC000904197426 619896884 /nfs/dbraw/zinc/89/68/84/619896884.db2.gz CPSUVCIGLRRMNG-UHFFFAOYSA-N 0 3 316.445 3.102 20 30 DGEDHN CCCCn1nc(C)c(/C=C2/C(=O)c3ncnn3C2C)c1Cl ZINC000905081857 619968204 /nfs/dbraw/zinc/96/82/04/619968204.db2.gz TYDBQMADVHWLPA-QVIVLVACSA-N 0 3 319.796 3.077 20 30 DGEDHN CC1/C(=C\c2ccccc2OCC(F)(F)F)C(=O)c2ncnn21 ZINC000905081596 619968406 /nfs/dbraw/zinc/96/84/06/619968406.db2.gz RZFAIAOGNWTQPH-CAXXOGMASA-N 0 3 323.274 3.060 20 30 DGEDHN N#CC1(CNC[C@@H](O)CCOCc2ccccc2)CCCCC1 ZINC000905383838 619991381 /nfs/dbraw/zinc/99/13/81/619991381.db2.gz JAQHUAGUHMJSQM-SFHVURJKSA-N 0 3 316.445 3.018 20 30 DGEDHN CC(C)Oc1cc(Cl)ccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000905426365 619998097 /nfs/dbraw/zinc/99/80/97/619998097.db2.gz TWYBLZXDZVNZCE-OAHLLOKOSA-N 0 3 322.836 3.272 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(OC)c(N)c1 ZINC000911662816 620339927 /nfs/dbraw/zinc/33/99/27/620339927.db2.gz LRIZEEXCEQEKSJ-AWEZNQCLSA-N 0 3 307.438 3.294 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000912330017 620378526 /nfs/dbraw/zinc/37/85/26/620378526.db2.gz BMKQLWYIEQOEFS-MRXNPFEDSA-N 0 3 308.372 3.139 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000912341324 620380345 /nfs/dbraw/zinc/38/03/45/620380345.db2.gz DFXMPJJGHFVBPA-YPMHNXCESA-N 0 3 312.360 3.149 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000912350421 620381354 /nfs/dbraw/zinc/38/13/54/620381354.db2.gz KCGRQTTVQONMIN-OAHLLOKOSA-N 0 3 312.417 3.111 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCC#N ZINC000913097824 620423650 /nfs/dbraw/zinc/42/36/50/620423650.db2.gz SGVRNBYAMAOQPE-AEFFLSMTSA-N 0 3 313.445 3.097 20 30 DGEDHN C#CCSCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000152942430 620529425 /nfs/dbraw/zinc/52/94/25/620529425.db2.gz ROQAFXCMAADOHY-UHFFFAOYSA-N 0 3 316.382 3.311 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000153200460 620540229 /nfs/dbraw/zinc/54/02/29/620540229.db2.gz OAZBVEINHNIUHX-RYUDHWBXSA-N 0 3 322.355 3.084 20 30 DGEDHN Cc1nc(CC(=O)C(C#N)c2nc3ccccc3s2)cs1 ZINC000915099242 620567359 /nfs/dbraw/zinc/56/73/59/620567359.db2.gz NJDGMGWKCDIDKZ-LLVKDONJSA-N 0 3 313.407 3.480 20 30 DGEDHN C#CCN(C(=O)N[C@H]1CCC[C@H]1CCCC)C1CCN(C)CC1 ZINC000916548137 620634676 /nfs/dbraw/zinc/63/46/76/620634676.db2.gz JBKUGQVINTWWRU-AEFFLSMTSA-N 0 3 319.493 3.084 20 30 DGEDHN CCOc1ccc(O)c(/C=N\[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000920945075 620828713 /nfs/dbraw/zinc/82/87/13/620828713.db2.gz PICCXNBSWUGCPN-PKIWBCANSA-N 0 3 324.424 3.484 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(CC)CCOC ZINC000921046217 620835146 /nfs/dbraw/zinc/83/51/46/620835146.db2.gz LYKMWCGLLBWXPE-UHFFFAOYSA-N 0 3 305.447 3.240 20 30 DGEDHN CC(=O)Nc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921501204 620875006 /nfs/dbraw/zinc/87/50/06/620875006.db2.gz HDZIUXNGNHVKHG-UHFFFAOYSA-N 0 3 307.397 3.423 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNC[C@@H](O)c1c(F)cccc1F ZINC000921767823 620946729 /nfs/dbraw/zinc/94/67/29/620946729.db2.gz WNJMDJLAVUXSSG-QGZVFWFLSA-N 0 3 316.351 3.277 20 30 DGEDHN COc1cccc(O[C@H](C)CNCc2csc(C#N)c2)c1 ZINC000921790089 620950398 /nfs/dbraw/zinc/95/03/98/620950398.db2.gz VMCPQXXIQQZSQU-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1csc(C#N)c1 ZINC000921821490 620955394 /nfs/dbraw/zinc/95/53/94/620955394.db2.gz OQKQOZQNUOTWDJ-UHFFFAOYSA-N 0 3 309.435 3.013 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc([S@@](C)=O)cc1 ZINC000921823405 620956048 /nfs/dbraw/zinc/95/60/48/620956048.db2.gz WHTQKBKYZNUYAM-JOCHJYFZSA-N 0 3 312.438 3.202 20 30 DGEDHN COc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1C#N ZINC000921916155 620968325 /nfs/dbraw/zinc/96/83/25/620968325.db2.gz BPWALDGSFOOWSE-CYBMUJFWSA-N 0 3 308.381 3.180 20 30 DGEDHN C[C@@](O)(CNCc1csc(C#N)c1)c1ccccc1Cl ZINC000921998476 620978441 /nfs/dbraw/zinc/97/84/41/620978441.db2.gz AIZRGXBQDIDWIG-OAHLLOKOSA-N 0 3 306.818 3.270 20 30 DGEDHN CO[C@@](C)(CNCc1cc(C#N)ccc1Br)C1CC1 ZINC000922142002 620994649 /nfs/dbraw/zinc/99/46/49/620994649.db2.gz FGRDTSOGDPZYTN-HNNXBMFYSA-N 0 3 323.234 3.225 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCCC2(O)CCC2)c1 ZINC000922192135 621004076 /nfs/dbraw/zinc/00/40/76/621004076.db2.gz IXEKSCBTUOFXIR-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN CC[C@@H]1C[C@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000922191944 621004105 /nfs/dbraw/zinc/00/41/05/621004105.db2.gz GWAQDTNNFPBCCO-ZIAGYGMSSA-N 0 3 323.234 3.368 20 30 DGEDHN C=C(Cl)CN1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597991 621006705 /nfs/dbraw/zinc/00/67/05/621006705.db2.gz CYDGORYHXWTXBH-KRWDZBQOSA-N 0 3 323.868 3.127 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNC[C@]12OCCC[C@H]1C2(F)F ZINC000922247434 621012247 /nfs/dbraw/zinc/01/22/47/621012247.db2.gz CGAVJVGULQNGBP-CVEARBPZSA-N 0 3 306.356 3.079 20 30 DGEDHN COc1cccc([C@@H](CNCc2csc(C#N)c2)OC)c1 ZINC000922282309 621016872 /nfs/dbraw/zinc/01/68/72/621016872.db2.gz RUMULTFITLCGRP-MRXNPFEDSA-N 0 3 302.399 3.106 20 30 DGEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617857 621024559 /nfs/dbraw/zinc/02/45/59/621024559.db2.gz RXRCPMPJAVFJRG-WMLDXEAASA-N 0 3 312.413 3.228 20 30 DGEDHN Cc1ccc(CNCc2cnc3c(cnn3C(C)C)c2)cc1C#N ZINC000922759846 621095336 /nfs/dbraw/zinc/09/53/36/621095336.db2.gz WEISFZRWPFCBNV-UHFFFAOYSA-N 0 3 319.412 3.482 20 30 DGEDHN COCCOc1cccc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000922759861 621095650 /nfs/dbraw/zinc/09/56/50/621095650.db2.gz WSMVETRPGYBWBN-UHFFFAOYSA-N 0 3 310.397 3.182 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922988234 621144471 /nfs/dbraw/zinc/14/44/71/621144471.db2.gz OJWSYHRHRKGXHT-KPOBHBOGSA-N 0 3 322.408 3.115 20 30 DGEDHN Cc1ccc(O[C@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)nc1 ZINC000858012664 621144716 /nfs/dbraw/zinc/14/47/16/621144716.db2.gz KOYNGOVKESLPRD-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN C=CCC1(CNCc2cn(C)nc2Br)CCCC1 ZINC000858173731 621161549 /nfs/dbraw/zinc/16/15/49/621161549.db2.gz GJLMCPZVKFVJMR-UHFFFAOYSA-N 0 3 312.255 3.409 20 30 DGEDHN Cc1ccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1C#N ZINC000859241419 621264362 /nfs/dbraw/zinc/26/43/62/621264362.db2.gz YAFXIRJHYWIFQZ-LJQANCHMSA-N 0 3 310.372 3.099 20 30 DGEDHN CCCCCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000859705274 621311511 /nfs/dbraw/zinc/31/15/11/621311511.db2.gz DDDYIUCQAQHZNC-QGZVFWFLSA-N 0 3 319.449 3.439 20 30 DGEDHN C=COc1ccc(NC(=O)NC2CCN(CC(=C)C)CC2)cc1 ZINC000839151615 621334384 /nfs/dbraw/zinc/33/43/84/621334384.db2.gz ZWIBFSQLINDMLP-UHFFFAOYSA-N 0 3 315.417 3.371 20 30 DGEDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000839163214 621349414 /nfs/dbraw/zinc/34/94/14/621349414.db2.gz KNLSIUAIGBEDKF-UHFFFAOYSA-N 0 3 311.223 3.493 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccc(Cl)cn3)CC2)C1 ZINC000839203479 621351594 /nfs/dbraw/zinc/35/15/94/621351594.db2.gz ZGZRNTQATMUJJX-GXTWGEPZSA-N 0 3 305.809 3.270 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860463870 621408108 /nfs/dbraw/zinc/40/81/08/621408108.db2.gz JCXSMEGQZJVBPZ-KBPBESRZSA-N 0 3 304.390 3.179 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000860470564 621408499 /nfs/dbraw/zinc/40/84/99/621408499.db2.gz QNBXDMPJAKCRIB-JKSUJKDBSA-N 0 3 316.401 3.102 20 30 DGEDHN CCCCCCCCCCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861710396 621534469 /nfs/dbraw/zinc/53/44/69/621534469.db2.gz PCVHZAYICORYNW-MSOLQXFVSA-N 0 3 324.509 3.185 20 30 DGEDHN Fc1ccc(CCN2CCC(=NO[C@@H]3CCCCO3)CC2)cc1 ZINC000755816258 621595908 /nfs/dbraw/zinc/59/59/08/621595908.db2.gz UTGZNZWQVWGSEJ-GOSISDBHSA-N 0 3 320.408 3.363 20 30 DGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccccc1Br ZINC000755893420 621600759 /nfs/dbraw/zinc/60/07/59/621600759.db2.gz STSIQPWIIGDAIG-JTQLQIEISA-N 0 3 308.223 3.331 20 30 DGEDHN Cc1cc(NN=C2CCCOc3cc(F)cc(F)c32)ccn1 ZINC000863160897 621643649 /nfs/dbraw/zinc/64/36/49/621643649.db2.gz URWDELUUNBVIRH-UHFFFAOYSA-N 0 3 303.312 3.079 20 30 DGEDHN C=C(C)[C@@H](CC(=O)O[C@H]1CCN(Cc2ccccc2)C1)OCC ZINC000756557489 621648663 /nfs/dbraw/zinc/64/86/63/621648663.db2.gz IFDWQRVIFGGKOH-ZWKOTPCHSA-N 0 3 317.429 3.175 20 30 DGEDHN CC(=NNC1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000757585231 621726674 /nfs/dbraw/zinc/72/66/74/621726674.db2.gz CYHHSLNUIZKNIS-UHFFFAOYSA-N 0 3 301.434 3.170 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000757772771 621738312 /nfs/dbraw/zinc/73/83/12/621738312.db2.gz KUDQBZWBNQCVCS-FUHWJXTLSA-N 0 3 315.461 3.255 20 30 DGEDHN C=CCN(C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000757772775 621738438 /nfs/dbraw/zinc/73/84/38/621738438.db2.gz KUDQBZWBNQCVCS-WMZOPIPTSA-N 0 3 315.461 3.255 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000757856012 621743480 /nfs/dbraw/zinc/74/34/80/621743480.db2.gz LVAREZFPUUMTFF-XQQFMLRXSA-N 0 3 313.426 3.345 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c([O-])c1 ZINC000864346912 621758675 /nfs/dbraw/zinc/75/86/75/621758675.db2.gz GSYUKPWGJCSDQX-MSVPBRTISA-N 0 3 314.429 3.081 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2ccnn2C)c([O-])c1 ZINC000864348046 621759458 /nfs/dbraw/zinc/75/94/58/621759458.db2.gz DCKRQQJBBKRRIX-HTMJNSLASA-N 0 3 300.406 3.152 20 30 DGEDHN COc1ccc(C(C)=NOCC(F)F)cc1CN1CCCC1 ZINC000758910027 621810339 /nfs/dbraw/zinc/81/03/39/621810339.db2.gz GZDPNLFVQSATBL-UHFFFAOYSA-N 0 3 312.360 3.297 20 30 DGEDHN CCOC(=O)C[C@H](C)C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000760229648 621922590 /nfs/dbraw/zinc/92/25/90/621922590.db2.gz SNICMOKQVROAOV-ITRAFESCSA-N 0 3 320.433 3.247 20 30 DGEDHN CCOC(=O)CC[C@@H](C)/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000760227935 621922686 /nfs/dbraw/zinc/92/26/86/621922686.db2.gz CCUPTWWFIYELJU-NFECSFHCSA-N 0 3 320.433 3.389 20 30 DGEDHN Cn1ncc2cc(CNC3(c4ccc(C#N)cc4)CCC3)cnc21 ZINC000865620023 621963693 /nfs/dbraw/zinc/96/36/93/621963693.db2.gz YTAJRIDVJGJXCB-UHFFFAOYSA-N 0 3 317.396 3.009 20 30 DGEDHN CC1(C)CC(N=Nc2ncc(F)cn2)CN1Cc1ccccc1 ZINC000761274344 621998582 /nfs/dbraw/zinc/99/85/82/621998582.db2.gz SOZJSTUJKSPMTQ-UHFFFAOYSA-N 0 3 313.380 3.068 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H]1CCc2cccc3cccc1c32 ZINC000866335724 622096365 /nfs/dbraw/zinc/09/63/65/622096365.db2.gz LKYYLURVAFNASA-QGZVFWFLSA-N 0 3 315.438 3.018 20 30 DGEDHN CCn1ccnc1[C@H](C)NC1CCN(c2ccccc2C#N)CC1 ZINC000866448919 622120586 /nfs/dbraw/zinc/12/05/86/622120586.db2.gz NXBNGXWUGIUDFF-HNNXBMFYSA-N 0 3 323.444 3.094 20 30 DGEDHN CC(C)COc1ccccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000763236371 622132359 /nfs/dbraw/zinc/13/23/59/622132359.db2.gz QBJLNKMEOXXWNU-LJQANCHMSA-N 0 3 324.424 3.416 20 30 DGEDHN C#CCCN(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000764487432 622197798 /nfs/dbraw/zinc/19/77/98/622197798.db2.gz YTXITKRRTBIFRG-UHFFFAOYSA-N 0 3 314.477 3.257 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026264 622240630 /nfs/dbraw/zinc/24/06/30/622240630.db2.gz PZFKVGXKAZHVCP-MAUKXSAKSA-N 0 3 306.450 3.121 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000765893754 622293051 /nfs/dbraw/zinc/29/30/51/622293051.db2.gz RERNYQZYLLBLHG-FUHWJXTLSA-N 0 3 315.461 3.113 20 30 DGEDHN CCCOc1ccc(C=NOCCN2CCCCC2)cc1OC ZINC000766683805 622346316 /nfs/dbraw/zinc/34/63/16/622346316.db2.gz GQDIKDPKMLTMMX-UHFFFAOYSA-N 0 3 320.433 3.320 20 30 DGEDHN N#CCOc1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806145097 622426886 /nfs/dbraw/zinc/42/68/86/622426886.db2.gz CNXYYUWHOINYHM-OAHLLOKOSA-N 0 3 313.788 3.414 20 30 DGEDHN Cn1cc(CNCc2ccc(C#N)cc2)c(-c2cccs2)n1 ZINC000769685309 622549454 /nfs/dbraw/zinc/54/94/54/622549454.db2.gz DKKYEARIHUQYBQ-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3nccn32)c1 ZINC000769694016 622550369 /nfs/dbraw/zinc/55/03/69/622550369.db2.gz SUNFYQXDHHPOKU-KRWDZBQOSA-N 0 3 320.396 3.305 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)Nc2ccc(O)cc2)CCCC1(C)C ZINC000769953423 622581333 /nfs/dbraw/zinc/58/13/33/622581333.db2.gz MGRCXWWQZZZJQO-INIZCTEOSA-N 0 3 302.418 3.397 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc(Cl)n1 ZINC000123687856 622642776 /nfs/dbraw/zinc/64/27/76/622642776.db2.gz RNHHYEFTIVPZQV-LLVKDONJSA-N 0 3 310.744 3.410 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)c2cccc(Cl)c2)c(F)c1 ZINC000772920115 622953941 /nfs/dbraw/zinc/95/39/41/622953941.db2.gz XEBIWNGHOIKRLL-MRXNPFEDSA-N 0 3 304.752 3.174 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H](O)c1cccc(F)c1 ZINC000772932586 622954516 /nfs/dbraw/zinc/95/45/16/622954516.db2.gz ZIKWHVIIYPTGCG-GTNSWQLSSA-N 0 3 302.324 3.048 20 30 DGEDHN C[C@H](NC[C@@H]1Cc2ccccc2CN1)c1ccc(C#N)cc1F ZINC000873294883 623106999 /nfs/dbraw/zinc/10/69/99/623106999.db2.gz VKYMEUNUEOKSPL-GUYCJALGSA-N 0 3 309.388 3.062 20 30 DGEDHN CCC[C@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000873523951 623166910 /nfs/dbraw/zinc/16/69/10/623166910.db2.gz XVGUPCFGEVAREN-JKSUJKDBSA-N 0 3 300.402 3.180 20 30 DGEDHN CC(C)(CC#N)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805920685 625628043 /nfs/dbraw/zinc/62/80/43/625628043.db2.gz NDYRGYSUDHWABU-UHFFFAOYSA-N 0 3 314.429 3.382 20 30 DGEDHN N#CCCNC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000775376147 623262050 /nfs/dbraw/zinc/26/20/50/623262050.db2.gz OVGMXNPAVIKQGM-KRWDZBQOSA-N 0 3 319.836 3.191 20 30 DGEDHN COC(=O)Cc1ccccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000775430793 623274057 /nfs/dbraw/zinc/27/40/57/623274057.db2.gz JNXRGDUZXHFKOQ-UHFFFAOYSA-N 0 3 320.392 3.053 20 30 DGEDHN C#CCNC(=O)CN[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000775455990 623276871 /nfs/dbraw/zinc/27/68/71/623276871.db2.gz ZTYSKQLJTLCDCG-OAHLLOKOSA-N 0 3 306.837 3.156 20 30 DGEDHN C#CCNC(=O)CN[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000775455988 623277023 /nfs/dbraw/zinc/27/70/23/623277023.db2.gz ZTYSKQLJTLCDCG-HNNXBMFYSA-N 0 3 306.837 3.156 20 30 DGEDHN C=C(C)[C@@H](NCCCN1CCOC1=O)c1ccc(F)c(F)c1 ZINC000775723261 623319679 /nfs/dbraw/zinc/31/96/79/623319679.db2.gz IMPUTEMNMWRDDY-OAHLLOKOSA-N 0 3 310.344 3.014 20 30 DGEDHN C=CCN(C(=O)N[C@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000776081068 623373545 /nfs/dbraw/zinc/37/35/45/623373545.db2.gz KXYJOIJGFRJYBC-MRXNPFEDSA-N 0 3 303.450 3.113 20 30 DGEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776165280 623387425 /nfs/dbraw/zinc/38/74/25/623387425.db2.gz ZPYOTYZCSGBJDJ-UGSOOPFHSA-N 0 3 322.412 3.416 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000874901787 623388333 /nfs/dbraw/zinc/38/83/33/623388333.db2.gz XEMFLENRJIKLJU-KRWDZBQOSA-N 0 3 315.392 3.351 20 30 DGEDHN Cc1ccc(NC(=O)c2sccc2CC#N)c(CN(C)C)c1 ZINC000875319268 623436958 /nfs/dbraw/zinc/43/69/58/623436958.db2.gz KHKRKNKYSAYCRE-UHFFFAOYSA-N 0 3 313.426 3.437 20 30 DGEDHN C[C@]1(CCCO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000776596978 623444776 /nfs/dbraw/zinc/44/47/76/623444776.db2.gz BNDZLHMNXOIHJR-QGZVFWFLSA-N 0 3 322.836 3.369 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCn1ccnc1C ZINC000778157806 623617825 /nfs/dbraw/zinc/61/78/25/623617825.db2.gz CVHZJUORPRKDQY-UHFFFAOYSA-N 0 3 317.820 3.037 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC(CC)(CC)CO ZINC000778171537 623619586 /nfs/dbraw/zinc/61/95/86/623619586.db2.gz LWGKXPFMVVQZPY-UHFFFAOYSA-N 0 3 309.837 3.240 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCC[C@@H]1O ZINC000778246508 623632409 /nfs/dbraw/zinc/63/24/09/623632409.db2.gz QKQFRVMLLAFOOC-CJNGLKHVSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000876549381 623640839 /nfs/dbraw/zinc/64/08/39/623640839.db2.gz DMEYUZYMAABQAJ-LBPRGKRZSA-N 0 3 310.825 3.401 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000876552690 623641851 /nfs/dbraw/zinc/64/18/51/623641851.db2.gz AHHJBVAETKFTMP-CZUORRHYSA-N 0 3 306.837 3.284 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000876554637 623642393 /nfs/dbraw/zinc/64/23/93/623642393.db2.gz QUONRDNKAOXRON-HNNXBMFYSA-N 0 3 308.853 3.412 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000876580965 623650268 /nfs/dbraw/zinc/65/02/68/623650268.db2.gz VUBBDTBBGWEJTI-JTQLQIEISA-N 0 3 310.678 3.253 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000876585332 623651407 /nfs/dbraw/zinc/65/14/07/623651407.db2.gz IBPZJQWSXMSMBQ-CQSZACIVSA-N 0 3 313.228 3.301 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000876586538 623652110 /nfs/dbraw/zinc/65/21/10/623652110.db2.gz JPRKRNKGSMRTHH-IUODEOHRSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000876587885 623652555 /nfs/dbraw/zinc/65/25/55/623652555.db2.gz BHGSENSCEZUOHZ-MFKMUULPSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000876585907 623652578 /nfs/dbraw/zinc/65/25/78/623652578.db2.gz ZLVBJHHVFOWYDM-NSHDSACASA-N 0 3 303.189 3.147 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cnc2c(cnn2C)c1 ZINC000876591914 623654148 /nfs/dbraw/zinc/65/41/48/623654148.db2.gz CMTJEOLPDULLPQ-UHFFFAOYSA-N 0 3 319.412 3.252 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000876593074 623654698 /nfs/dbraw/zinc/65/46/98/623654698.db2.gz WWJSYPUBSXMHCG-SWLSCSKDSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000876593075 623654711 /nfs/dbraw/zinc/65/47/11/623654711.db2.gz WWJSYPUBSXMHCG-WFASDCNBSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)[C@@H]1CCc2ccccc21 ZINC000876597608 623655670 /nfs/dbraw/zinc/65/56/70/623655670.db2.gz HZQBOUYTVHBXLY-JKSUJKDBSA-N 0 3 306.837 3.382 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000876605717 623657602 /nfs/dbraw/zinc/65/76/02/623657602.db2.gz PAEFCURMEOTSIH-GFCCVEGCSA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000876616826 623661205 /nfs/dbraw/zinc/66/12/05/623661205.db2.gz BCKNFCFNFMOYGZ-SKDRFNHKSA-N 0 3 320.742 3.353 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000876670934 623676980 /nfs/dbraw/zinc/67/69/80/623676980.db2.gz IARGPPWLINLYHY-RISCZKNCSA-N 0 3 315.244 3.199 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000876674844 623678588 /nfs/dbraw/zinc/67/85/88/623678588.db2.gz UUOBGHIKHCXVBE-FMKPAKJESA-N 0 3 306.837 3.169 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1cc(F)ccc1F ZINC000876677640 623679662 /nfs/dbraw/zinc/67/96/62/623679662.db2.gz SVDXSGFJNZIOMA-STQMWFEESA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)C(C)(C)c1ccccc1 ZINC000876679518 623680415 /nfs/dbraw/zinc/68/04/15/623680415.db2.gz QSKSCCATUADHNM-LSDHHAIUSA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000876691034 623683693 /nfs/dbraw/zinc/68/36/93/623683693.db2.gz YFKVTESSCSCPNC-HUUCEWRRSA-N 0 3 310.800 3.349 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1O[C@@H](C)CC ZINC000876692298 623684060 /nfs/dbraw/zinc/68/40/60/623684060.db2.gz PUWJJRFDGOSQAN-ZFWWWQNUSA-N 0 3 324.852 3.258 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000876707439 623686985 /nfs/dbraw/zinc/68/69/85/623686985.db2.gz GMKKPUMVYNYVBD-OAHLLOKOSA-N 0 3 307.825 3.085 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(C#N)cc1F ZINC000779122396 623732090 /nfs/dbraw/zinc/73/20/90/623732090.db2.gz LYDHJCDUFXVNFV-UHFFFAOYSA-N 0 3 318.392 3.394 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)[C@@H]1CCCc2cccnc21 ZINC000876900774 623740471 /nfs/dbraw/zinc/74/04/71/623740471.db2.gz QRFVISWQRGMUPI-LSDHHAIUSA-N 0 3 321.852 3.168 20 30 DGEDHN C[C@H](Cc1ccccc1F)NCc1cc(C#N)cnc1Cl ZINC000876959879 623755012 /nfs/dbraw/zinc/75/50/12/623755012.db2.gz YILCLBCYJWUKRY-LLVKDONJSA-N 0 3 303.768 3.467 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1c(C)cccc1C ZINC000876958745 623755107 /nfs/dbraw/zinc/75/51/07/623755107.db2.gz BZMDLUSSTOOZKU-GJZGRUSLSA-N 0 3 306.837 3.437 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000877063470 623780013 /nfs/dbraw/zinc/78/00/13/623780013.db2.gz WDPGLYIVWDRAOG-KBPBESRZSA-N 0 3 313.228 3.304 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000779937871 623836646 /nfs/dbraw/zinc/83/66/46/623836646.db2.gz WQRUZCSHTZLMBG-UHFFFAOYSA-N 0 3 318.436 3.300 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000779982154 623844581 /nfs/dbraw/zinc/84/45/81/623844581.db2.gz XXJVRWUPTKTDCB-UHFFFAOYSA-N 0 3 304.434 3.062 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(N2CCCC2)c1 ZINC000877455555 623889865 /nfs/dbraw/zinc/88/98/65/623889865.db2.gz LYWVBRSQDDLATR-AWEZNQCLSA-N 0 3 307.825 3.004 20 30 DGEDHN CCC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000780240607 623889935 /nfs/dbraw/zinc/88/99/35/623889935.db2.gz FMNFFMGATNNSCP-OAHLLOKOSA-N 0 3 303.450 3.414 20 30 DGEDHN CCN(C)c1ccc(C(C)=NN[C@H]2CCOC(C)(C)C2)cc1 ZINC000780240654 623890093 /nfs/dbraw/zinc/89/00/93/623890093.db2.gz GAPYWFKFGHVXAW-INIZCTEOSA-N 0 3 303.450 3.414 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000780745923 623977091 /nfs/dbraw/zinc/97/70/91/623977091.db2.gz SZKXEDDSYVFRPN-AWEZNQCLSA-N 0 3 324.852 3.030 20 30 DGEDHN N#CCC[C@H](NC[C@H](O)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000878375297 624260670 /nfs/dbraw/zinc/26/06/70/624260670.db2.gz DBDJJJXQBXAARX-HSALFYBXSA-N 0 3 324.424 3.106 20 30 DGEDHN N#CCC[C@H](NC[C@H](O)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000878375296 624260733 /nfs/dbraw/zinc/26/07/33/624260733.db2.gz DBDJJJXQBXAARX-AABGKKOBSA-N 0 3 324.424 3.106 20 30 DGEDHN CC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)COC1 ZINC000782583153 624265156 /nfs/dbraw/zinc/26/51/56/624265156.db2.gz ODAGXTMHIUKILT-SECBINFHSA-N 0 3 306.774 3.162 20 30 DGEDHN Cc1cccnc1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000878648764 624331047 /nfs/dbraw/zinc/33/10/47/624331047.db2.gz QXXHJCHLZRRPFN-QGZVFWFLSA-N 0 3 322.412 3.353 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CC1(CC#N)CC1 ZINC000878814770 624365885 /nfs/dbraw/zinc/36/58/85/624365885.db2.gz UEMQUQDIZIOKIR-UONOGXRCSA-N 0 3 307.438 3.058 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879242963 624459309 /nfs/dbraw/zinc/45/93/09/624459309.db2.gz HNRVKXYPAZZHKW-UYAOXDASSA-N 0 3 322.408 3.265 20 30 DGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000784266512 624470338 /nfs/dbraw/zinc/47/03/38/624470338.db2.gz SFFKRLDSTPKXGY-CQSZACIVSA-N 0 3 319.408 3.122 20 30 DGEDHN C#CCOc1ccccc1CNCc1cc(-n2ccnc2)cs1 ZINC000784545084 624546288 /nfs/dbraw/zinc/54/62/88/624546288.db2.gz MVEATIWNYNGQJY-UHFFFAOYSA-N 0 3 323.421 3.236 20 30 DGEDHN COC(=O)c1ccc([C@@H](C)N(C)CCc2cccc(C#N)c2)o1 ZINC000879434949 624546877 /nfs/dbraw/zinc/54/68/77/624546877.db2.gz RFCCJSGLRIMLML-CYBMUJFWSA-N 0 3 312.369 3.173 20 30 DGEDHN CC(=O)c1ccccc1OCCN(C)CCc1cccc(C#N)c1 ZINC000879433976 624547114 /nfs/dbraw/zinc/54/71/14/624547114.db2.gz AJUYLQUJHFWILM-UHFFFAOYSA-N 0 3 322.408 3.314 20 30 DGEDHN COc1cccc([C@H]2CN(Cc3ccc(C)c(C#N)c3)CCN2)c1 ZINC000879522781 624577813 /nfs/dbraw/zinc/57/78/13/624577813.db2.gz MKNTXUDMOJRVKT-HXUWFJFHSA-N 0 3 321.424 3.022 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879605831 624604823 /nfs/dbraw/zinc/60/48/23/624604823.db2.gz SFESUGXSCUJIIS-HNNXBMFYSA-N 0 3 315.417 3.069 20 30 DGEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C)c(C#N)c2)no1 ZINC000879683532 624638944 /nfs/dbraw/zinc/63/89/44/624638944.db2.gz PCTDDSSBCKWYBB-ZNXRZULTSA-N 0 3 322.412 3.469 20 30 DGEDHN C=CCCC[C@H](NCC(=O)NCc1cccnc1)c1ccccc1 ZINC000880388223 624947388 /nfs/dbraw/zinc/94/73/88/624947388.db2.gz KGXUSZYRMZGKNK-IBGZPJMESA-N 0 3 323.440 3.385 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3CC#Cc2ccccc2)cn1 ZINC000880518107 624971243 /nfs/dbraw/zinc/97/12/43/624971243.db2.gz BGZOAOSSZBYNJQ-CTXDPNEZSA-N 0 3 305.425 3.182 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3CC#Cc2ccc(F)cc2)cn1 ZINC000880518760 624971248 /nfs/dbraw/zinc/97/12/48/624971248.db2.gz UVLQNGFYTZBRNY-XGSMCBPESA-N 0 3 323.415 3.321 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000787072933 624976067 /nfs/dbraw/zinc/97/60/67/624976067.db2.gz MCBAQRXKKNOBAC-QGZVFWFLSA-N 0 3 312.413 3.324 20 30 DGEDHN CCC(C)(C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073942 624976254 /nfs/dbraw/zinc/97/62/54/624976254.db2.gz RRPWSJORBDFAQB-HNNXBMFYSA-N 0 3 300.402 3.180 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000880985932 625179793 /nfs/dbraw/zinc/17/97/93/625179793.db2.gz AOFPNLIZXOPNJX-CYBMUJFWSA-N 0 3 318.396 3.000 20 30 DGEDHN C#C[C@@H](CCC)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000791013453 625737413 /nfs/dbraw/zinc/73/74/13/625737413.db2.gz DPUZNBXMSJWRBT-HOTGVXAUSA-N 0 3 321.490 3.232 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCCCC1 ZINC000791063032 625746543 /nfs/dbraw/zinc/74/65/43/625746543.db2.gz UVLPBHDZHCWHFB-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000792276316 625933068 /nfs/dbraw/zinc/93/30/68/625933068.db2.gz JMUSNQLQEMISNJ-SFHVURJKSA-N 0 3 320.436 3.226 20 30 DGEDHN C=CCC[C@@H](CO)NCc1c(Cl)nc2cc(Cl)ccn21 ZINC000883139086 625940959 /nfs/dbraw/zinc/94/09/59/625940959.db2.gz ZYUPPHPRQCSQPX-NSHDSACASA-N 0 3 314.216 3.058 20 30 DGEDHN C#CCN(CCC(=O)Nc1cccc(OC)c1)Cc1ccccc1 ZINC000796640232 626069067 /nfs/dbraw/zinc/06/90/67/626069067.db2.gz IOXOJMOUQKHSED-UHFFFAOYSA-N 0 3 322.408 3.159 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1csc(C)c1 ZINC000796791945 626083603 /nfs/dbraw/zinc/08/36/03/626083603.db2.gz DURJAMPSAHMTKF-LBPRGKRZSA-N 0 3 314.366 3.026 20 30 DGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000797548546 626151999 /nfs/dbraw/zinc/15/19/99/626151999.db2.gz HEVDCPVSIULSOJ-LLVKDONJSA-N 0 3 316.744 3.457 20 30 DGEDHN CC1=CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000797997671 626188279 /nfs/dbraw/zinc/18/82/79/626188279.db2.gz ZRPPXYMXCFDZDU-ZDUSSCGKSA-N 0 3 311.410 3.125 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](C)c2csc3ccccc32)C1=O ZINC000798393184 626215321 /nfs/dbraw/zinc/21/53/21/626215321.db2.gz LRZKZJLJIFUEML-DOMZBBRYSA-N 0 3 300.427 3.339 20 30 DGEDHN CC(C)[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)N(C)C ZINC000798863699 626250905 /nfs/dbraw/zinc/25/09/05/626250905.db2.gz AOQYXIDGEXRWPD-WCQYABFASA-N 0 3 307.463 3.203 20 30 DGEDHN CCCCCCC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799171920 626277351 /nfs/dbraw/zinc/27/73/51/626277351.db2.gz UFSOBQZMLXUCLA-UHFFFAOYSA-N 0 3 308.388 3.347 20 30 DGEDHN Cc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1C#N ZINC000799323894 626289574 /nfs/dbraw/zinc/28/95/74/626289574.db2.gz XFELOTFMLREKRA-UHFFFAOYSA-N 0 3 307.397 3.075 20 30 DGEDHN C=CCCOCC(=O)OC[C@@H]1CCCCN1Cc1ccccc1 ZINC000799631759 626314913 /nfs/dbraw/zinc/31/49/13/626314913.db2.gz CLSQKVIJLAMNTH-SFHVURJKSA-N 0 3 317.429 3.177 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000800408925 626357161 /nfs/dbraw/zinc/35/71/61/626357161.db2.gz HGDJHKWLXCWIMR-BXUZGUMPSA-N 0 3 322.355 3.116 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000800408817 626357170 /nfs/dbraw/zinc/35/71/70/626357170.db2.gz FLWJXORPSIVUAN-AAEUAGOBSA-N 0 3 322.355 3.116 20 30 DGEDHN CCOc1cccc2cc([C@@H](C)NCCO[C@@H](C)C#N)oc21 ZINC000801939613 626427067 /nfs/dbraw/zinc/42/70/67/626427067.db2.gz TYMZZPVDYCBNRG-QWHCGFSZSA-N 0 3 302.374 3.411 20 30 DGEDHN C[C@@H](C#N)OCCN(CCc1ccccc1)Cc1cccnc1 ZINC000801951932 626427623 /nfs/dbraw/zinc/42/76/23/626427623.db2.gz ZTAHDEZKPZGSBM-KRWDZBQOSA-N 0 3 309.413 3.055 20 30 DGEDHN C=CCN1CCN(CN[C@H](c2ccccc2)C(C)(C)C)C1=O ZINC000839959128 626438819 /nfs/dbraw/zinc/43/88/19/626438819.db2.gz DEVJYUAOUUYRIC-MRXNPFEDSA-N 0 3 301.434 3.245 20 30 DGEDHN C=CCC[C@@H](NCc1cc(C)ncn1)[C@@H]1Cc2ccccc2O1 ZINC000883208315 626609402 /nfs/dbraw/zinc/60/94/02/626609402.db2.gz CYDPTJKCAGAAAL-MJGOQNOKSA-N 0 3 309.413 3.213 20 30 DGEDHN C=CCC[C@@H](NCc1nccn1CC)[C@@H]1Cc2ccccc2O1 ZINC000883225576 626615275 /nfs/dbraw/zinc/61/52/75/626615275.db2.gz JUYFIJWWEOTMSN-AEFFLSMTSA-N 0 3 311.429 3.331 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000883390173 626670876 /nfs/dbraw/zinc/67/08/76/626670876.db2.gz HJAJWZRWLXKFBZ-JQWIXIFHSA-N 0 3 303.324 3.405 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000804452519 626681228 /nfs/dbraw/zinc/68/12/28/626681228.db2.gz HMTJOJAJUPYEGE-IEBWSBKVSA-N 0 3 312.457 3.002 20 30 DGEDHN C=CCCCCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000807570636 626760913 /nfs/dbraw/zinc/76/09/13/626760913.db2.gz UNXPNAYQVAIMBH-UHFFFAOYSA-N 0 3 307.482 3.393 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000807620814 626763577 /nfs/dbraw/zinc/76/35/77/626763577.db2.gz QFWMPYJWSFSLNW-WMZOPIPTSA-N 0 3 315.461 3.255 20 30 DGEDHN CCCCCN(CCCCC)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884048241 626811568 /nfs/dbraw/zinc/81/15/68/626811568.db2.gz DYFPIWYSGILLRP-TVRKMHQQSA-N 0 3 319.493 3.335 20 30 DGEDHN C[C@@H](CC#N)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808497245 626833363 /nfs/dbraw/zinc/83/33/63/626833363.db2.gz UWSOXIHXNDUPBW-KKUMJFAQSA-N 0 3 309.454 3.209 20 30 DGEDHN CC(C)CC[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)(C)C ZINC000884138734 626839914 /nfs/dbraw/zinc/83/99/14/626839914.db2.gz XDAGMZSVTAZWMD-BHEGOAEISA-N 0 3 319.493 3.093 20 30 DGEDHN C[C@@H]1CCCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)c2ccccc21 ZINC000884316049 626863813 /nfs/dbraw/zinc/86/38/13/626863813.db2.gz ILUOANPCMHLVMT-JQCXZVQFSA-N 0 3 323.440 3.056 20 30 DGEDHN C#C[C@H](NCc1cnc2c(C)cc(Br)cn12)C(C)C ZINC000809685141 626935790 /nfs/dbraw/zinc/93/57/90/626935790.db2.gz BIRMPCLINQGZOV-AWEZNQCLSA-N 0 3 320.234 3.153 20 30 DGEDHN COc1ccc([C@@H](C)[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC000810147328 626981199 /nfs/dbraw/zinc/98/11/99/626981199.db2.gz JHTNRXPQRQUMSM-NWDGAFQWSA-N 0 3 301.415 3.305 20 30 DGEDHN C#CCOc1ccccc1CN[C@H]1COc2c(C)cccc2C1 ZINC000810178888 626985052 /nfs/dbraw/zinc/98/50/52/626985052.db2.gz YQSQEAHPLJLMNR-GOSISDBHSA-N 0 3 307.393 3.100 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1ccc(C)s1 ZINC000810527566 627012381 /nfs/dbraw/zinc/01/23/81/627012381.db2.gz MZAIOVBZLCCDKO-HNNXBMFYSA-N 0 3 320.458 3.395 20 30 DGEDHN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)CC2(C#N)CCC2)s1 ZINC000886018842 627085543 /nfs/dbraw/zinc/08/55/43/627085543.db2.gz IGMMNEFMGHPGJL-UONOGXRCSA-N 0 3 321.490 3.452 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN[C@]23C[C@H]2COC3)c1 ZINC000886201900 627120495 /nfs/dbraw/zinc/12/04/95/627120495.db2.gz VUASLSXUOCXEEY-ICSRJNTNSA-N 0 3 320.392 3.016 20 30 DGEDHN C#CCN1CCC[C@H](NCc2ccc(-c3ccncc3)cc2F)C1 ZINC000886211578 627121530 /nfs/dbraw/zinc/12/15/30/627121530.db2.gz SINRRPSLPNJIST-IBGZPJMESA-N 0 3 323.415 3.075 20 30 DGEDHN C#CCC1(NCc2cccc(OC3CC3)c2F)CCOCC1 ZINC000886378924 627144821 /nfs/dbraw/zinc/14/48/21/627144821.db2.gz GQLGUSFSVHEADC-UHFFFAOYSA-N 0 3 303.377 3.029 20 30 DGEDHN C#CCN(C(=O)c1ccc(C2=CCCC2)cc1)C1CCN(C)CC1 ZINC000886576170 627166479 /nfs/dbraw/zinc/16/64/79/627166479.db2.gz ZCBIJCJWXSINND-UHFFFAOYSA-N 0 3 322.452 3.424 20 30 DGEDHN C#CCN(C(=O)CC1CC(c2ccccc2)C1)C1CCN(C)CC1 ZINC000886577276 627166624 /nfs/dbraw/zinc/16/66/24/627166624.db2.gz CERGOUSRKVOZCH-UHFFFAOYSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCN(C)CC1 ZINC000886579746 627166990 /nfs/dbraw/zinc/16/69/90/627166990.db2.gz HAPPMDZBJDGKSX-FGTMMUONSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCC1(O)CCN(Cc2cnc(OC)c3ccccc23)CC1 ZINC000886780239 627203961 /nfs/dbraw/zinc/20/39/61/627203961.db2.gz GGAYECMHQBJDNI-UHFFFAOYSA-N 0 3 312.413 3.146 20 30 DGEDHN CC(C)(NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886896219 627212572 /nfs/dbraw/zinc/21/25/72/627212572.db2.gz BQNJWFOFQJFKCX-ZDUSSCGKSA-N 0 3 308.372 3.234 20 30 DGEDHN CC(C)c1ccc([C@H](C)NN=Cc2cnc(N(C)C)n2C)cc1 ZINC000811638788 627298101 /nfs/dbraw/zinc/29/81/01/627298101.db2.gz ADXHPAVTRWWMLY-AWEZNQCLSA-N 0 3 313.449 3.294 20 30 DGEDHN C#C[C@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000812342541 627373325 /nfs/dbraw/zinc/37/33/25/627373325.db2.gz ODAPLZKCKLCNAN-XIRDDKMYSA-N 0 3 315.461 3.025 20 30 DGEDHN C#C[C@H](NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000812342537 627373369 /nfs/dbraw/zinc/37/33/69/627373369.db2.gz ODAPLZKCKLCNAN-HYVNUMGLSA-N 0 3 315.461 3.025 20 30 DGEDHN C=CCCCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000812494068 627392618 /nfs/dbraw/zinc/39/26/18/627392618.db2.gz CITDTNFDPWNAJL-QGZVFWFLSA-N 0 3 305.466 3.169 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(OC)C1CC1 ZINC000812771927 627418562 /nfs/dbraw/zinc/41/85/62/627418562.db2.gz DFPNLPDIWPMYQP-KRWDZBQOSA-N 0 3 307.821 3.257 20 30 DGEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000813059515 627444370 /nfs/dbraw/zinc/44/43/70/627444370.db2.gz BBXTWDUJDRZSMF-SNVBAGLBSA-N 0 3 324.167 3.335 20 30 DGEDHN CC1(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCC1 ZINC000813214599 627468293 /nfs/dbraw/zinc/46/82/93/627468293.db2.gz AJIXHXVCRLOCPZ-LLVKDONJSA-N 0 3 312.291 3.236 20 30 DGEDHN CC[C@H](C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218876 627468570 /nfs/dbraw/zinc/46/85/70/627468570.db2.gz UHPQHGYQTOBHDS-ONGXEEELSA-N 0 3 300.280 3.092 20 30 DGEDHN CO[C@@](C)(C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813216904 627468971 /nfs/dbraw/zinc/46/89/71/627468971.db2.gz HRQAJXIIHKTQPH-BXUZGUMPSA-N 0 3 312.291 3.092 20 30 DGEDHN Cc1nn(C)c(N)c1C=NNCc1ccc(-c2ccccc2)cc1 ZINC000814863742 627599570 /nfs/dbraw/zinc/59/95/70/627599570.db2.gz ZUNDBLGSMXMQOS-UHFFFAOYSA-N 0 3 319.412 3.101 20 30 DGEDHN CN(C)c1ccncc1CN=Nc1nnc(-c2ccccc2)s1 ZINC000814947878 627612783 /nfs/dbraw/zinc/61/27/83/627612783.db2.gz OMKXXWYUGVCMMG-UHFFFAOYSA-N 0 3 324.413 3.112 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000815061349 627621591 /nfs/dbraw/zinc/62/15/91/627621591.db2.gz RHVPMJVTCKBYLI-GOSISDBHSA-N 0 3 317.454 3.486 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC1(C#N)CC1 ZINC000815907457 627711246 /nfs/dbraw/zinc/71/12/46/627711246.db2.gz AWOLIITVDXLOHX-HNNXBMFYSA-N 0 3 323.396 3.153 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000816147132 627743969 /nfs/dbraw/zinc/74/39/69/627743969.db2.gz DHTMFRGBRXIVHS-INIZCTEOSA-N 0 3 324.415 3.471 20 30 DGEDHN C[C@H](CC(C)(C)C#N)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000925778321 627793738 /nfs/dbraw/zinc/79/37/38/627793738.db2.gz TZZZGRXSGMJMJY-MRXNPFEDSA-N 0 3 314.477 3.174 20 30 DGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccnn1C ZINC000817714194 627938055 /nfs/dbraw/zinc/93/80/55/627938055.db2.gz MQAFKVYTKZGIMH-QWRGUYRKSA-N 0 3 310.382 3.010 20 30 DGEDHN CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000926753174 627946723 /nfs/dbraw/zinc/94/67/23/627946723.db2.gz FRTSDRIGDMTTGF-RHSMWYFYSA-N 0 3 301.434 3.036 20 30 DGEDHN C#CCN1CCC[C@H](N[C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000926863625 627965368 /nfs/dbraw/zinc/96/53/68/627965368.db2.gz AOZDEOZMSQPKIE-RDJZCZTQSA-N 0 3 309.413 3.090 20 30 DGEDHN N#CC1(CNC2CCN(OCc3ccccc3)CC2)CCCC1 ZINC000926874813 627968078 /nfs/dbraw/zinc/96/80/78/627968078.db2.gz UVEQGTBNKUXESE-UHFFFAOYSA-N 0 3 313.445 3.256 20 30 DGEDHN CC(C)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000927070147 628007436 /nfs/dbraw/zinc/00/74/36/628007436.db2.gz OFPIUNXDOPPTHV-KBXCAEBGSA-N 0 3 312.417 3.370 20 30 DGEDHN CCC[C@H](NCCNc1ccc(C#N)cn1)c1cc(C)ccn1 ZINC000927167324 628031364 /nfs/dbraw/zinc/03/13/64/628031364.db2.gz JBECCFCUTZROFY-INIZCTEOSA-N 0 3 309.417 3.200 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1oc2c(c1C)c(C)ccc2C ZINC000818588899 628039077 /nfs/dbraw/zinc/03/90/77/628039077.db2.gz JFFDIHHCBUMSGC-UHFFFAOYSA-N 0 3 312.413 3.043 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000818609228 628042068 /nfs/dbraw/zinc/04/20/68/628042068.db2.gz PTFSPRZQYDLWHV-UHFFFAOYSA-N 0 3 306.409 3.039 20 30 DGEDHN Cc1cccc2c1OCC[C@H]2NC[C@@H](O)c1ccc(C#N)cc1 ZINC000818990229 628074257 /nfs/dbraw/zinc/07/42/57/628074257.db2.gz UUSXGKBRJNTPIO-QZTJIDSGSA-N 0 3 308.381 3.014 20 30 DGEDHN N#CCCc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000928404122 628148849 /nfs/dbraw/zinc/14/88/49/628148849.db2.gz HWZYNEHPTNPXRD-GOSISDBHSA-N 0 3 311.429 3.488 20 30 DGEDHN C=C(C)C(C)(C)C(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000819964568 628205880 /nfs/dbraw/zinc/20/58/80/628205880.db2.gz WLCJLCCEIWIQEX-SNVBAGLBSA-N 0 3 306.387 3.098 20 30 DGEDHN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000820766572 628296523 /nfs/dbraw/zinc/29/65/23/628296523.db2.gz MYBUPJQFVIFIJL-OIISXLGYSA-N 0 3 312.413 3.180 20 30 DGEDHN N#CC(C(=O)C=C[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177661 628343468 /nfs/dbraw/zinc/34/34/68/628343468.db2.gz HZZJNXONVILXLM-LXYZTQFVSA-N 0 3 310.275 3.012 20 30 DGEDHN CC1(c2cccc(CNCc3ccc(C#N)cc3)c2)OCCO1 ZINC000821214296 628347149 /nfs/dbraw/zinc/34/71/49/628347149.db2.gz PQLZXIOXOASRSY-UHFFFAOYSA-N 0 3 308.381 3.068 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000823468233 628565716 /nfs/dbraw/zinc/56/57/16/628565716.db2.gz CWUVDKXRXZFPIM-ZDUSSCGKSA-N 0 3 319.474 3.130 20 30 DGEDHN C#C[C@H](NCc1ccc(F)cc1C(F)(F)F)C1CCOCC1 ZINC000827566169 628971315 /nfs/dbraw/zinc/97/13/15/628971315.db2.gz SMZTVWDNTQVDLI-HNNXBMFYSA-N 0 3 315.310 3.363 20 30 DGEDHN C#C[C@H](NCc1ccc(OC(C)C)c(OC)c1)C1CCOCC1 ZINC000827574517 628972649 /nfs/dbraw/zinc/97/26/49/628972649.db2.gz ANFLKHKQRQXIGU-KRWDZBQOSA-N 0 3 317.429 3.000 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000829773273 629190331 /nfs/dbraw/zinc/19/03/31/629190331.db2.gz BXPHNUOECKNURL-FGTMMUONSA-N 0 3 312.457 3.030 20 30 DGEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000834902126 629803842 /nfs/dbraw/zinc/80/38/42/629803842.db2.gz FIZKFZVKYRIUIV-HNNXBMFYSA-N 0 3 306.409 3.221 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3cccnc3)nc21 ZINC000835172932 629869212 /nfs/dbraw/zinc/86/92/12/629869212.db2.gz NDIKTIAQMLZLNJ-RRFJBIMHSA-N 0 3 316.364 3.246 20 30 DGEDHN C=CCNc1nc(C(=O)OC[C@H]2CCCCN2C(C)C)cs1 ZINC000837373610 630249519 /nfs/dbraw/zinc/24/95/19/630249519.db2.gz QNERHSGCQAKZJW-CYBMUJFWSA-N 0 3 323.462 3.161 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000840956682 630385344 /nfs/dbraw/zinc/38/53/44/630385344.db2.gz BSNOMHVUYDCTOM-XFQXTVEOSA-N 0 3 322.408 3.285 20 30 DGEDHN C#CCOc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000840957786 630385456 /nfs/dbraw/zinc/38/54/56/630385456.db2.gz MUOFAGDZGJECMV-UYAOXDASSA-N 0 3 307.393 3.007 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCC1(COC)CC1 ZINC000842730475 630569267 /nfs/dbraw/zinc/56/92/67/630569267.db2.gz ZQKAYFNDJIFCPW-UHFFFAOYSA-N 0 3 307.821 3.258 20 30 DGEDHN C[C@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942271 630596819 /nfs/dbraw/zinc/59/68/19/630596819.db2.gz IFUKZDRZRYXTIA-GXSJLCMTSA-N 0 3 320.414 3.175 20 30 DGEDHN C[C@@H](CC#N)NCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000843290330 630642687 /nfs/dbraw/zinc/64/26/87/630642687.db2.gz QPRGWAGKEHTFCF-AWEZNQCLSA-N 0 3 309.454 3.305 20 30 DGEDHN C#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000843969588 630705399 /nfs/dbraw/zinc/70/53/99/630705399.db2.gz QEFBMADGBKURIX-HXUWFJFHSA-N 0 3 318.420 3.387 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371442 630722250 /nfs/dbraw/zinc/72/22/50/630722250.db2.gz OHBLEFZDLSMUDC-SFHVURJKSA-N 0 3 311.429 3.388 20 30 DGEDHN FC(F)(F)C(F)(F)COCCN1CCC[C@]2(CC2(F)F)C1 ZINC000844442395 630730584 /nfs/dbraw/zinc/73/05/84/630730584.db2.gz XWSVCRGUTZRDPK-VIFPVBQESA-N 0 3 323.252 3.322 20 30 DGEDHN C=C[C@@H](C)ONC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000845634008 631184560 /nfs/dbraw/zinc/18/45/60/631184560.db2.gz RFWRZDQKQNFSDH-WBVHZDCISA-N 0 3 317.433 3.019 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846011022 631205668 /nfs/dbraw/zinc/20/56/68/631205668.db2.gz QOAPNUPCKLIMJC-KGLIPLIRSA-N 0 3 309.454 3.352 20 30 DGEDHN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(N(C)CCC#N)cc1 ZINC000846028041 631206997 /nfs/dbraw/zinc/20/69/97/631206997.db2.gz VAHQEIKMOGZLFW-MJGOQNOKSA-N 0 3 315.461 3.426 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000847254045 631448550 /nfs/dbraw/zinc/44/85/50/631448550.db2.gz CMWUEDPRPXFWHA-IRXDYDNUSA-N 0 3 302.462 3.093 20 30 DGEDHN N#CCCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000847678672 631512507 /nfs/dbraw/zinc/51/25/07/631512507.db2.gz PHKDPHNMTBCOMD-QGZVFWFLSA-N 0 3 300.402 3.278 20 30 DGEDHN C#C[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000848276047 631637803 /nfs/dbraw/zinc/63/78/03/631637803.db2.gz 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C#CCN1CCC([C@H](C)NC(=O)c2cccc(Cl)c2C)CC1 ZINC000997605695 660335462 /nfs/dbraw/zinc/33/54/62/660335462.db2.gz SKBNPYCAIAQCGB-AWEZNQCLSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000997723816 660340715 /nfs/dbraw/zinc/34/07/15/660340715.db2.gz XYJWMZTZUVWAIV-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3=CCCC3)cc2)[C@H](C)C1 ZINC000946313357 660341513 /nfs/dbraw/zinc/34/15/13/660341513.db2.gz PFFVWACUWQYPSU-OXQOHEQNSA-N 0 3 322.452 3.327 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)C[C@H]1C ZINC000947933453 660338845 /nfs/dbraw/zinc/33/88/45/660338845.db2.gz ASKAODVITXYNRF-HIFRSBDPSA-N 0 3 304.434 3.173 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032559332 660346963 /nfs/dbraw/zinc/34/69/63/660346963.db2.gz BTXXCOHYUJEZGG-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000997842068 660347313 /nfs/dbraw/zinc/34/73/13/660347313.db2.gz 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C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccccc1F ZINC001032686396 660413942 /nfs/dbraw/zinc/41/39/42/660413942.db2.gz SMHYJDIAUGZWFY-PMPSAXMXSA-N 0 3 316.420 3.181 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)ccc2F)C1 ZINC000999466643 660419166 /nfs/dbraw/zinc/41/91/66/660419166.db2.gz LDFMDWWAYRVSHP-UHFFFAOYSA-N 0 3 310.800 3.079 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(Cl)cs2)C1 ZINC000999504159 660420351 /nfs/dbraw/zinc/42/03/51/660420351.db2.gz XEUVTYMHBVSJHH-UHFFFAOYSA-N 0 3 319.257 3.347 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC000999568160 660422329 /nfs/dbraw/zinc/42/23/29/660422329.db2.gz DBJPHESNQZVURI-HSBZDZAISA-N 0 3 324.827 3.261 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cc(C)cc(C)c1 ZINC001032718342 660424826 /nfs/dbraw/zinc/42/48/26/660424826.db2.gz QOZLOYZLZXCVPG-OALUTQOASA-N 0 3 312.457 3.097 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000999708722 660426644 /nfs/dbraw/zinc/42/66/44/660426644.db2.gz NXGHTEDCEHKHHF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/44/15/67/660441567.db2.gz BFJZNMYVXCFSOZ-OALUTQOASA-N 0 3 310.441 3.040 20 30 DGEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(=C)C)c1ccccc1 ZINC001032797019 660449724 /nfs/dbraw/zinc/44/97/24/660449724.db2.gz GUZLQTRMLRUPKE-GBESFXJTSA-N 0 3 310.441 3.208 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cccc3c2CCCCC3)CC1 ZINC001001509158 660454893 /nfs/dbraw/zinc/45/48/93/660454893.db2.gz ZUCZARMSWDQBIA-UHFFFAOYSA-N 0 3 324.468 3.031 20 30 DGEDHN C=C1CCC(C(=O)NCC2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001001796159 660458054 /nfs/dbraw/zinc/45/80/54/660458054.db2.gz CMIQQFDZEAGKOY-KRWDZBQOSA-N 0 3 310.457 3.309 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2ccc(C(F)F)cc2)CC1 ZINC001001943884 660460471 /nfs/dbraw/zinc/46/04/71/660460471.db2.gz GIVUYHWGPSDDSQ-UHFFFAOYSA-N 0 3 320.383 3.089 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC001002042325 660462873 /nfs/dbraw/zinc/46/28/73/660462873.db2.gz GBELYOMEYYYAAO-UHFFFAOYSA-N 0 3 322.452 3.111 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC001002052399 660463583 /nfs/dbraw/zinc/46/35/83/660463583.db2.gz JPEULQNZGMWOLL-UHFFFAOYSA-N 0 3 324.424 3.125 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2c(CC)oc3ccccc32)CC1 ZINC001002159356 660465759 /nfs/dbraw/zinc/46/57/59/660465759.db2.gz RHDHNNGWQDSLGH-UHFFFAOYSA-N 0 3 324.424 3.070 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)C[C@@H]1C ZINC000947953040 660478640 /nfs/dbraw/zinc/47/86/40/660478640.db2.gz JQXXBQSQBIOHHI-SWLSCSKDSA-N 0 3 308.372 3.393 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2O[C@H](C)CC)CC1 ZINC001003715464 660501136 /nfs/dbraw/zinc/50/11/36/660501136.db2.gz ONJGCMIEXAUIGE-OAHLLOKOSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001033072097 660536416 /nfs/dbraw/zinc/53/64/16/660536416.db2.gz JZPXELAQARNCMF-ARFHVFGLSA-N 0 3 318.486 3.269 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)c2ccoc2)CC1 ZINC001004351147 660545833 /nfs/dbraw/zinc/54/58/33/660545833.db2.gz JBWXYJJUMNLTQL-MRXNPFEDSA-N 0 3 322.836 3.349 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001004416965 660550168 /nfs/dbraw/zinc/55/01/68/660550168.db2.gz ZAKZITBYQHMAKK-CVEARBPZSA-N 0 3 324.896 3.488 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001004514799 660555130 /nfs/dbraw/zinc/55/51/30/660555130.db2.gz KWHTYZULLCWXTA-GJZGRUSLSA-N 0 3 316.848 3.190 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3ccccc3nc2C)C1 ZINC001033122683 660552594 /nfs/dbraw/zinc/55/25/94/660552594.db2.gz NBNNWEGROMRHLR-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC2CC(c3ccccc3)C2)C1 ZINC001033207927 660589695 /nfs/dbraw/zinc/58/96/95/660589695.db2.gz QNKMFWIDVMHXMU-UUKMXZOPSA-N 0 3 324.468 3.126 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(-n3cccc3)c2)C1 ZINC001033236040 660595396 /nfs/dbraw/zinc/59/53/96/660595396.db2.gz WFKPFVDSZNRTIO-IBGZPJMESA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001033245092 660599215 /nfs/dbraw/zinc/59/92/15/660599215.db2.gz CVJHZFKZUHBBEC-HNNXBMFYSA-N 0 3 311.429 3.199 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2occc2-c2ccccc2)C1 ZINC001033253862 660599979 /nfs/dbraw/zinc/59/99/79/660599979.db2.gz OQCXXDITGIEULR-QGZVFWFLSA-N 0 3 322.408 3.116 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001033294123 660604835 /nfs/dbraw/zinc/60/48/35/660604835.db2.gz TYUGANGXDFFSBC-QGZVFWFLSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033306127 660606238 /nfs/dbraw/zinc/60/62/38/660606238.db2.gz LFPIXOZWKXQKCS-MRXNPFEDSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)CC[C@@H]2C1 ZINC000946803808 660606678 /nfs/dbraw/zinc/60/66/78/660606678.db2.gz WROPNJZCWMDHNS-OWCLPIDISA-N 0 3 322.880 3.100 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2scnc2C(C)(C)C)C1 ZINC001033486351 660626783 /nfs/dbraw/zinc/62/67/83/660626783.db2.gz KOFVBJAAXHZAEA-ZDUSSCGKSA-N 0 3 321.490 3.163 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2Cl)C1 ZINC001033508171 660628153 /nfs/dbraw/zinc/62/81/53/660628153.db2.gz PYVCSPMTDFOKRX-CYBMUJFWSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033533394 660630620 /nfs/dbraw/zinc/63/06/20/660630620.db2.gz RBFAVFIMDPZYMP-BZSNNMDCSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001033577046 660633537 /nfs/dbraw/zinc/63/35/37/660633537.db2.gz LOCOWBSCNMROMF-OAHLLOKOSA-N 0 3 318.848 3.126 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033588720 660635283 /nfs/dbraw/zinc/63/52/83/660635283.db2.gz HPRVZQQLUZSENE-WMZOPIPTSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2OC)C1 ZINC001033637758 660643565 /nfs/dbraw/zinc/64/35/65/660643565.db2.gz QLMSOIOBNDIOJN-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033852703 660671210 /nfs/dbraw/zinc/67/12/10/660671210.db2.gz ZIRFMWCXXUQPQX-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2ccc(CC)s2)C1 ZINC001033889031 660674369 /nfs/dbraw/zinc/67/43/69/660674369.db2.gz UJINKZOATMVOLL-CQSZACIVSA-N 0 3 306.475 3.423 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2csc(C)c2C)CC1 ZINC001005449366 660678158 /nfs/dbraw/zinc/67/81/58/660678158.db2.gz VMWMHWPYTPUZTJ-UHFFFAOYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(OCCC)c2)CC1 ZINC001005460599 660681015 /nfs/dbraw/zinc/68/10/15/660681015.db2.gz AJTUGRQOYMTLAP-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001033937884 660682297 /nfs/dbraw/zinc/68/22/97/660682297.db2.gz LFQJQBZLMBWZTP-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(Cl)c2F)C1 ZINC001033938426 660683880 /nfs/dbraw/zinc/68/38/80/660683880.db2.gz PKUZUVILRCJBDD-CYBMUJFWSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033973763 660687049 /nfs/dbraw/zinc/68/70/49/660687049.db2.gz HVQIHUMMFMUHRN-SFHVURJKSA-N 0 3 311.429 3.052 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034009562 660692347 /nfs/dbraw/zinc/69/23/47/660692347.db2.gz OLJBBGIFQXULEP-MRXNPFEDSA-N 0 3 315.461 3.006 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001034053649 660699484 /nfs/dbraw/zinc/69/94/84/660699484.db2.gz UCEHVGWTBCWDHE-PBPGXSGUSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034051737 660699527 /nfs/dbraw/zinc/69/95/27/660699527.db2.gz ZVLJPNBIVRKEOH-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034048514 660702056 /nfs/dbraw/zinc/70/20/56/660702056.db2.gz ICIWYPJHJXUTQE-OPQOLIRYSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC001034051184 660702529 /nfs/dbraw/zinc/70/25/29/660702529.db2.gz TZFKSSVLYMSKFW-LJQANCHMSA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034050262 660702648 /nfs/dbraw/zinc/70/26/48/660702648.db2.gz HZHDIGXZXITQGE-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001034211349 660724170 /nfs/dbraw/zinc/72/41/70/660724170.db2.gz PNDRVQOBALBPEK-BZUAXINKSA-N 0 3 318.486 3.317 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3scnc32)C1 ZINC001034212649 660724193 /nfs/dbraw/zinc/72/41/93/660724193.db2.gz ZMIPBUFOHAWBHY-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034227011 660725036 /nfs/dbraw/zinc/72/50/36/660725036.db2.gz WGVYXLLIVZWGHI-KRWDZBQOSA-N 0 3 310.397 3.040 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cncc(Cl)c2C)C1 ZINC001034250709 660727835 /nfs/dbraw/zinc/72/78/35/660727835.db2.gz WBXIIRSDIVWCMI-AWEZNQCLSA-N 0 3 321.852 3.204 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(F)c(C)cc2F)CC1 ZINC001005531769 660731415 /nfs/dbraw/zinc/73/14/15/660731415.db2.gz DXQSWIYWGMWPHM-UHFFFAOYSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001034332528 660738028 /nfs/dbraw/zinc/73/80/28/660738028.db2.gz IYHPZLKICAKSHO-SNVBAGLBSA-N 0 3 316.232 3.092 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034373462 660742972 /nfs/dbraw/zinc/74/29/72/660742972.db2.gz SPVURXGOMNAWJU-OAHLLOKOSA-N 0 3 302.418 3.317 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC001034360906 660743967 /nfs/dbraw/zinc/74/39/67/660743967.db2.gz LJMCIZHCDQKBHT-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034411681 660750351 /nfs/dbraw/zinc/75/03/51/660750351.db2.gz VBWJWNAPPGRFPE-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001034416371 660750977 /nfs/dbraw/zinc/75/09/77/660750977.db2.gz NVHQLWYOKNLPHR-WMZOPIPTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001034416366 660751017 /nfs/dbraw/zinc/75/10/17/660751017.db2.gz NVHQLWYOKNLPHR-AEFFLSMTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001034433723 660753051 /nfs/dbraw/zinc/75/30/51/660753051.db2.gz QWDRLQWPAQHGTA-IBGZPJMESA-N 0 3 310.441 3.416 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001034438385 660754134 /nfs/dbraw/zinc/75/41/34/660754134.db2.gz MYLYELMCSRIINR-CQSZACIVSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001034495296 660759284 /nfs/dbraw/zinc/75/92/84/660759284.db2.gz SLAUIGWRUSZEJE-SFHVURJKSA-N 0 3 314.473 3.429 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001034483457 660761278 /nfs/dbraw/zinc/76/12/78/660761278.db2.gz DGGYHGHCAFVRTP-LJQANCHMSA-N 0 3 310.441 3.416 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001034486675 660761605 /nfs/dbraw/zinc/76/16/05/660761605.db2.gz JXTVXEPRGFETGO-OAHLLOKOSA-N 0 3 304.434 3.311 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001034506246 660763295 /nfs/dbraw/zinc/76/32/95/660763295.db2.gz LGALBNHMAVOBBF-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001034507442 660763303 /nfs/dbraw/zinc/76/33/03/660763303.db2.gz JAFJJMHNCRVTMW-DOTOQJQBSA-N 0 3 318.848 3.136 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001034518446 660767546 /nfs/dbraw/zinc/76/75/46/660767546.db2.gz URQLDVFZBHGXID-OAHLLOKOSA-N 0 3 318.486 3.227 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001034533872 660767551 /nfs/dbraw/zinc/76/75/51/660767551.db2.gz ZTTFJOGWHHUBKX-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001034549153 660773239 /nfs/dbraw/zinc/77/32/39/660773239.db2.gz IRBRKUMHLKUNPK-OAHLLOKOSA-N 0 3 310.397 3.040 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2coc3cc(F)ccc23)CC1 ZINC001005639917 660784670 /nfs/dbraw/zinc/78/46/70/660784670.db2.gz RIVFDXBGHJXILH-UHFFFAOYSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(-c3ccco3)o2)CC1 ZINC001005692009 660789868 /nfs/dbraw/zinc/78/98/68/660789868.db2.gz TVNTZFILZGSWDO-UHFFFAOYSA-N 0 3 314.385 3.262 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC(C)(C)C1CC1)CC2 ZINC001035702068 660845629 /nfs/dbraw/zinc/84/56/29/660845629.db2.gz PGGKUMLXGCXTPO-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)CC2 ZINC001035708324 660846078 /nfs/dbraw/zinc/84/60/78/660846078.db2.gz VKSXXRCSPJWDSJ-CVEARBPZSA-N 0 3 308.441 3.015 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3C[C@@H]3CC1)CC2 ZINC001035755411 660848716 /nfs/dbraw/zinc/84/87/16/660848716.db2.gz LRPFCLCLMVHGIR-BCDXTJNWSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)CC2 ZINC001035745873 660850751 /nfs/dbraw/zinc/85/07/51/660850751.db2.gz GNYGYMKURRHGAZ-HZPDHXFCSA-N 0 3 304.478 3.169 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cccc(C)c1)CC2 ZINC001035781662 660851319 /nfs/dbraw/zinc/85/13/19/660851319.db2.gz RVYFCBFHPHZTST-UHFFFAOYSA-N 0 3 312.457 3.038 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccsc1C)CC2 ZINC001035810193 660855058 /nfs/dbraw/zinc/85/50/58/660855058.db2.gz IZOJSFRCPMHSGQ-UHFFFAOYSA-N 0 3 318.486 3.100 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@H]1CC)CC2 ZINC001035829330 660856447 /nfs/dbraw/zinc/85/64/47/660856447.db2.gz ZDHYSKLHZZMSRY-QZTJIDSGSA-N 0 3 316.489 3.151 20 30 DGEDHN CCCC(=O)N1CCC[C@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001036334343 660896939 /nfs/dbraw/zinc/89/69/39/660896939.db2.gz DXROJPORTZEXFR-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCC(=O)N1CCC[C@@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001036334341 660897193 /nfs/dbraw/zinc/89/71/93/660897193.db2.gz DXROJPORTZEXFR-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707918552 660915699 /nfs/dbraw/zinc/91/56/99/660915699.db2.gz GDJKLINJUDDMLC-XGUBFFRZSA-N 0 3 307.438 3.056 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccc(CC)cc2)CC1 ZINC001006150747 660966071 /nfs/dbraw/zinc/96/60/71/660966071.db2.gz ISJHIDLXVDFCHS-MRXNPFEDSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc3ccccc32)CC1 ZINC001006324386 660975072 /nfs/dbraw/zinc/97/50/72/660975072.db2.gz XFHIWSOZOHXQEQ-UHFFFAOYSA-N 0 3 322.452 3.491 20 30 DGEDHN Cc1nn(-c2ccncc2)cc1C=NNc1cccc(Cl)n1 ZINC000793163998 661009132 /nfs/dbraw/zinc/00/91/32/661009132.db2.gz PBDCTRFQNCKQGV-UHFFFAOYSA-N 0 3 312.764 3.070 20 30 DGEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc(Cl)cc1 ZINC000794057071 661066729 /nfs/dbraw/zinc/06/67/29/661066729.db2.gz DBJMKMARIPWPCJ-IOASZLSFSA-N 0 3 304.821 3.003 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000794808401 661106097 /nfs/dbraw/zinc/10/60/97/661106097.db2.gz BAEDQMWDJJRYMT-CRAIPNDOSA-N 0 3 324.428 3.268 20 30 DGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@H](C)c1ccccc1 ZINC000794901646 661112879 /nfs/dbraw/zinc/11/28/79/661112879.db2.gz NOZXIPNGPKADTE-CQSZACIVSA-N 0 3 319.412 3.448 20 30 DGEDHN COCCON=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794914721 661113265 /nfs/dbraw/zinc/11/32/65/661113265.db2.gz IPMIGJWFZHVKCP-UHFFFAOYSA-N 0 3 310.397 3.246 20 30 DGEDHN COCCN(C)N=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000794974868 661117959 /nfs/dbraw/zinc/11/79/59/661117959.db2.gz RSLXEBHKGPGDQS-UHFFFAOYSA-N 0 3 303.450 3.369 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC000969158898 655529280 /nfs/dbraw/zinc/52/92/80/655529280.db2.gz VQWRKKLFUYHMCR-INIZCTEOSA-N 0 3 323.440 3.084 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000969563670 655550779 /nfs/dbraw/zinc/55/07/79/655550779.db2.gz HOLOTWQLHWUSKJ-CQSZACIVSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC000969570598 655551027 /nfs/dbraw/zinc/55/10/27/655551027.db2.gz URPZTMQPLRGPQN-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC000969659719 655554749 /nfs/dbraw/zinc/55/47/49/655554749.db2.gz ISDHDVANTDNRSD-FVQBIDKESA-N 0 3 318.486 3.173 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)oc3ccccc32)C1 ZINC000969733483 655556252 /nfs/dbraw/zinc/55/62/52/655556252.db2.gz KHMCQOMLUNRWNF-ZDUSSCGKSA-N 0 3 312.413 3.367 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC000969831052 655559093 /nfs/dbraw/zinc/55/90/93/655559093.db2.gz ZQDTVABEAZZFDC-PBHICJAKSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001020624649 655562078 /nfs/dbraw/zinc/56/20/78/655562078.db2.gz GIGNCEQAIUMDJC-XYPYZODXSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001020681696 655569193 /nfs/dbraw/zinc/56/91/93/655569193.db2.gz SIQOHRRKAQPFRH-KYZUINATSA-N 0 3 305.230 3.004 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001039120539 655582618 /nfs/dbraw/zinc/58/26/18/655582618.db2.gz BCFUGPZYZGVOBF-BOCDPNTGSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001039153733 655587899 /nfs/dbraw/zinc/58/78/99/655587899.db2.gz GJFGCEQSRUVNEI-INIZCTEOSA-N 0 3 324.896 3.490 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC000970206666 655588818 /nfs/dbraw/zinc/58/88/18/655588818.db2.gz HGORGTQGVJCMKJ-HNNXBMFYSA-N 0 3 312.457 3.499 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001021103078 655589426 /nfs/dbraw/zinc/58/94/26/655589426.db2.gz QAOVNYRYCRKLAI-JOCQHMNTSA-N 0 3 317.820 3.079 20 30 DGEDHN Cc1ccc(C#N)cc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000932722313 655596508 /nfs/dbraw/zinc/59/65/08/655596508.db2.gz WDAIVTUZQAZENS-UHFFFAOYSA-N 0 3 313.445 3.059 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC000970366988 655596643 /nfs/dbraw/zinc/59/66/43/655596643.db2.gz OXSBJJHLYJJHHO-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC000970425446 655598656 /nfs/dbraw/zinc/59/86/56/655598656.db2.gz QBYOARUNIXWMEU-CQSZACIVSA-N 0 3 315.461 3.140 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001039197293 655611297 /nfs/dbraw/zinc/61/12/97/655611297.db2.gz LWZYTQIUOHDEKR-OALUTQOASA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccsc2C)C1 ZINC001039200252 655612235 /nfs/dbraw/zinc/61/22/35/655612235.db2.gz JBVRIKAOHBBECN-NVXWUHKLSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cccs2)C1 ZINC001039206586 655614568 /nfs/dbraw/zinc/61/45/68/655614568.db2.gz MSLZTNMTIVKPOD-JKSUJKDBSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCC(CCCC)CC2)C1 ZINC000970846120 655629020 /nfs/dbraw/zinc/62/90/20/655629020.db2.gz QKBWUDUCLSZWEG-AOCRQIFASA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C)cs2)C1 ZINC001021577625 655635735 /nfs/dbraw/zinc/63/57/35/655635735.db2.gz HYZWCFJFEYXPGL-CVEARBPZSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)C2CC2)C1 ZINC001021585354 655637122 /nfs/dbraw/zinc/63/71/22/655637122.db2.gz RQXTULXQXSXCJV-SJLPKXTDSA-N 0 3 316.489 3.149 20 30 DGEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)N2CCCC2)c(C)s1 ZINC000175939653 655637547 /nfs/dbraw/zinc/63/75/47/655637547.db2.gz QJGZYWGZYYDNMH-OAHLLOKOSA-N 0 3 318.442 3.019 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2sccc2C(C)C)C1 ZINC000970925843 655638098 /nfs/dbraw/zinc/63/80/98/655638098.db2.gz RVBPBRRXXHSJIY-CYBMUJFWSA-N 0 3 306.475 3.498 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC000970924466 655638292 /nfs/dbraw/zinc/63/82/92/655638292.db2.gz LWYUAOYVLJTDFK-OAHLLOKOSA-N 0 3 324.424 3.123 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CCCCCC2)C1 ZINC001021679406 655655024 /nfs/dbraw/zinc/65/50/24/655655024.db2.gz NWPWAVLHJNDMPM-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001021720356 655663412 /nfs/dbraw/zinc/66/34/12/655663412.db2.gz XAOKJVZYQXWJOO-CADBVGFASA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C3CC3)c2)C1 ZINC001021739408 655668247 /nfs/dbraw/zinc/66/82/47/655668247.db2.gz JFVBIRFDDSIOQD-UXHICEINSA-N 0 3 322.452 3.124 20 30 DGEDHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000247329495 655687797 /nfs/dbraw/zinc/68/77/97/655687797.db2.gz XQPAPDKOFYZGNE-KSZLIROESA-N 0 3 324.424 3.256 20 30 DGEDHN CO[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000795808780 661173734 /nfs/dbraw/zinc/17/37/34/661173734.db2.gz BFCVIXCVYLHAOJ-HUUCEWRRSA-N 0 3 312.335 3.493 20 30 DGEDHN CO[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000795808784 661173742 /nfs/dbraw/zinc/17/37/42/661173742.db2.gz BFCVIXCVYLHAOJ-LSDHHAIUSA-N 0 3 312.335 3.493 20 30 DGEDHN CN(CCCC(C)(C)C#N)CC(=O)NCCC1=CCCCC1 ZINC000933363639 655705019 /nfs/dbraw/zinc/70/50/19/655705019.db2.gz MOENWNVOHLGGTQ-UHFFFAOYSA-N 0 3 305.466 3.255 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001022091486 655709850 /nfs/dbraw/zinc/70/98/50/655709850.db2.gz BEQDJWKEQPBZNT-NXOAAHMSSA-N 0 3 318.848 3.170 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CC=C)[C@H](C)C1 ZINC000947458147 655711479 /nfs/dbraw/zinc/71/14/79/655711479.db2.gz FIEQLQVQGFTWGG-CVEARBPZSA-N 0 3 314.429 3.020 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001022123389 655712550 /nfs/dbraw/zinc/71/25/50/655712550.db2.gz HWOQSSWNALRBQW-DTORHVGOSA-N 0 3 305.230 3.004 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001039433844 655720883 /nfs/dbraw/zinc/72/08/83/655720883.db2.gz XPPQINGPIMVTHN-ZMMAXQRCSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000971681389 655721023 /nfs/dbraw/zinc/72/10/23/655721023.db2.gz CRLUFXGBYCPGLR-AWEZNQCLSA-N 0 3 316.376 3.213 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001022232455 655722447 /nfs/dbraw/zinc/72/24/47/655722447.db2.gz HYWOKVYFRBDSNG-AOOOYVTPSA-N 0 3 318.751 3.129 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC000971751934 655724402 /nfs/dbraw/zinc/72/44/02/655724402.db2.gz COQVCKYAFWEVOU-OAHLLOKOSA-N 0 3 300.446 3.316 20 30 DGEDHN N#CC1(CCCCN2CCOC[C@H]2C[C@H]2CCCO2)CCC1 ZINC000933688446 655730314 /nfs/dbraw/zinc/73/03/14/655730314.db2.gz KFGYYNWHFCNEFX-IAGOWNOFSA-N 0 3 306.450 3.120 20 30 DGEDHN CN(Cc1cc(C#N)cs1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000933772661 655732325 /nfs/dbraw/zinc/73/23/25/655732325.db2.gz SUWPDPWPIRLZHQ-HNNXBMFYSA-N 0 3 320.845 3.309 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](O)CN(C)Cc1cc(C#N)cs1 ZINC000933772784 655732750 /nfs/dbraw/zinc/73/27/50/655732750.db2.gz UZRPRCTYCOUIBX-GUYCJALGSA-N 0 3 300.427 3.216 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001022431580 655738094 /nfs/dbraw/zinc/73/80/94/655738094.db2.gz UPNJANRHTSIUHC-IXDOHACOSA-N 0 3 318.848 3.170 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000971895677 655744523 /nfs/dbraw/zinc/74/45/23/655744523.db2.gz KESXJDSVCJXKFS-MRXNPFEDSA-N 0 3 310.397 3.279 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC000971897417 655744694 /nfs/dbraw/zinc/74/46/94/655744694.db2.gz ZRPQRHYRFIMNMC-IBGZPJMESA-N 0 3 314.473 3.146 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nc(Cl)c2)CC1 ZINC000934216071 655757035 /nfs/dbraw/zinc/75/70/35/655757035.db2.gz BFIIJSZSOJGFOH-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000972055909 655760546 /nfs/dbraw/zinc/76/05/46/655760546.db2.gz ORJSNMQUIJCGMF-AWEZNQCLSA-N 0 3 317.820 3.154 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000972080219 655763104 /nfs/dbraw/zinc/76/31/04/655763104.db2.gz STURXFWUFGECNY-HNNXBMFYSA-N 0 3 306.475 3.301 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC001022694581 655767209 /nfs/dbraw/zinc/76/72/09/655767209.db2.gz ULTBRLDBTXSVHN-AOOOYVTPSA-N 0 3 310.806 3.097 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC000972221306 655780638 /nfs/dbraw/zinc/78/06/38/655780638.db2.gz APKJPYKKGJMBAV-MRXNPFEDSA-N 0 3 320.864 3.336 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC000972221305 655780704 /nfs/dbraw/zinc/78/07/04/655780704.db2.gz APKJPYKKGJMBAV-INIZCTEOSA-N 0 3 320.864 3.336 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cccc3sccc32)C1 ZINC000972483095 655805464 /nfs/dbraw/zinc/80/54/64/655805464.db2.gz QOWARFLCUGOQQA-HNNXBMFYSA-N 0 3 314.454 3.163 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cscc1C(F)F ZINC001038252201 655809365 /nfs/dbraw/zinc/80/93/65/655809365.db2.gz KRKMKTSGVLIHJS-NSHDSACASA-N 0 3 314.401 3.456 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000934929682 655813769 /nfs/dbraw/zinc/81/37/69/655813769.db2.gz VFUREBCRZJWIOB-MOPGFXCFSA-N 0 3 319.408 3.235 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001023138478 655814572 /nfs/dbraw/zinc/81/45/72/655814572.db2.gz QWLZGDQRNYCFPA-IYBDPMFKSA-N 0 3 304.821 3.167 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000947546102 655821513 /nfs/dbraw/zinc/82/15/13/655821513.db2.gz BFZBTLDGYVSPQK-XJKSGUPXSA-N 0 3 306.837 3.417 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001023422733 655832980 /nfs/dbraw/zinc/83/29/80/655832980.db2.gz QGKGUPMYSLCIKG-WDSOQIARSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000972578523 655837940 /nfs/dbraw/zinc/83/79/40/655837940.db2.gz JWLXYGGQKMPOAZ-QGZVFWFLSA-N 0 3 300.446 3.316 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001023643460 655852284 /nfs/dbraw/zinc/85/22/84/655852284.db2.gz YUPUUPVEWHTYIQ-QGZVFWFLSA-N 0 3 322.452 3.111 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC001023679843 655854826 /nfs/dbraw/zinc/85/48/26/655854826.db2.gz JQXLPKHZGWSNIQ-INIZCTEOSA-N 0 3 316.445 3.177 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001023697978 655856253 /nfs/dbraw/zinc/85/62/53/655856253.db2.gz LHYBXGACBNQECY-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001023761636 655862765 /nfs/dbraw/zinc/86/27/65/655862765.db2.gz FPOJCKUFCMVYKT-OAHLLOKOSA-N 0 3 312.413 3.369 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC000972679125 655864916 /nfs/dbraw/zinc/86/49/16/655864916.db2.gz BFUMSNZDUGQRMA-CYBMUJFWSA-N 0 3 321.490 3.064 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000972698862 655868655 /nfs/dbraw/zinc/86/86/55/655868655.db2.gz ZYEYVNRQZQMPJX-HOCLYGCPSA-N 0 3 312.413 3.255 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000972784976 655882218 /nfs/dbraw/zinc/88/22/18/655882218.db2.gz DXZDGZCMHMHBQY-SFHVURJKSA-N 0 3 308.425 3.101 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001024471317 655908486 /nfs/dbraw/zinc/90/84/86/655908486.db2.gz CRZZIENHKIWYPM-QGZVFWFLSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001024541221 655914896 /nfs/dbraw/zinc/91/48/96/655914896.db2.gz ZHUXUIPFKQLGFP-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001024565697 655917839 /nfs/dbraw/zinc/91/78/39/655917839.db2.gz RTRQHQXOKVFEER-KRWDZBQOSA-N 0 3 315.461 3.167 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001024570185 655918570 /nfs/dbraw/zinc/91/85/70/655918570.db2.gz JMLXBFVNGYENJC-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001024593359 655921630 /nfs/dbraw/zinc/92/16/30/655921630.db2.gz LHRULNHYUUGRBA-KRWDZBQOSA-N 0 3 316.420 3.050 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001024624949 655925653 /nfs/dbraw/zinc/92/56/53/655925653.db2.gz DTCLMPFVBIKIGU-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001024707354 655932410 /nfs/dbraw/zinc/93/24/10/655932410.db2.gz LSZQKUXRBVJCKU-SLFFLAALSA-N 0 3 324.468 3.093 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001024745070 655934815 /nfs/dbraw/zinc/93/48/15/655934815.db2.gz NECIEYZETATXJR-IBGZPJMESA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001024776209 655938434 /nfs/dbraw/zinc/93/84/34/655938434.db2.gz UIDHLPHWSLGEJF-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786797 655938635 /nfs/dbraw/zinc/93/86/35/655938635.db2.gz RLOQTYCXGUAOOE-AWEZNQCLSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024790162 655939367 /nfs/dbraw/zinc/93/93/67/655939367.db2.gz AHYCMSFETHSKHX-MRXNPFEDSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001024802864 655940584 /nfs/dbraw/zinc/94/05/84/655940584.db2.gz BMZSQKVMLVGPPQ-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001024821258 655942069 /nfs/dbraw/zinc/94/20/69/655942069.db2.gz JFWIDRQQADXWPL-AWEZNQCLSA-N 0 3 321.490 3.256 20 30 DGEDHN CC(C)=CC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024854608 655945888 /nfs/dbraw/zinc/94/58/88/655945888.db2.gz UFNHAGXLHJXEJH-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001025070419 655963896 /nfs/dbraw/zinc/96/38/96/655963896.db2.gz YNDFOXTXKKYIMW-PKOBYXMFSA-N 0 3 315.461 3.155 20 30 DGEDHN CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001025146669 655970172 /nfs/dbraw/zinc/97/01/72/655970172.db2.gz RYBGLTVBFSNJLU-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001025193885 655975656 /nfs/dbraw/zinc/97/56/56/655975656.db2.gz YPLDJLODBWQWSI-MOPGFXCFSA-N 0 3 310.441 3.169 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025196305 655977000 /nfs/dbraw/zinc/97/70/00/655977000.db2.gz SPBVXLOTQPPLGN-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025197134 655977143 /nfs/dbraw/zinc/97/71/43/655977143.db2.gz GRIQNCBHITWYLI-IRXDYDNUSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201280 655978103 /nfs/dbraw/zinc/97/81/03/655978103.db2.gz KXXZHFRZMZNKOK-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227512 655981615 /nfs/dbraw/zinc/98/16/15/655981615.db2.gz QGZWCRXMFYFUPR-ROUUACIJSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC(C)(C)C1 ZINC001025227716 655981819 /nfs/dbraw/zinc/98/18/19/655981819.db2.gz BBUHEEFNYWZGNS-MSOLQXFVSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C(=C)Cl ZINC001025237548 655983310 /nfs/dbraw/zinc/98/33/10/655983310.db2.gz MRPWURPFZDITPH-CVEARBPZSA-N 0 3 322.880 3.244 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001025243132 655984333 /nfs/dbraw/zinc/98/43/33/655984333.db2.gz ALPVSNHKUYJWKM-HOTGVXAUSA-N 0 3 308.441 3.300 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001025243207 655984463 /nfs/dbraw/zinc/98/44/63/655984463.db2.gz ARGNJFMBXRBHQJ-UXHICEINSA-N 0 3 324.468 3.098 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#CC ZINC001025257673 655984574 /nfs/dbraw/zinc/98/45/74/655984574.db2.gz GBLYRTDAPIPXMZ-MSOLQXFVSA-N 0 3 316.489 3.458 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025258487 655984936 /nfs/dbraw/zinc/98/49/36/655984936.db2.gz GTUAFKDLIPWMHJ-CVEARBPZSA-N 0 3 302.418 3.233 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025259065 655985191 /nfs/dbraw/zinc/98/51/91/655985191.db2.gz KQWOSXMNNVABOT-IAGOWNOFSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266023 655986459 /nfs/dbraw/zinc/98/64/59/655986459.db2.gz IHVWJDSRRVELAJ-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001025269490 655987391 /nfs/dbraw/zinc/98/73/91/655987391.db2.gz RJPBCUNZLNMMBA-MSOLQXFVSA-N 0 3 314.473 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025292896 655989499 /nfs/dbraw/zinc/98/94/99/655989499.db2.gz MTPIMEVJLPNXRV-VQTJNVASSA-N 0 3 324.468 3.477 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1ccccc1C ZINC001025294878 655989903 /nfs/dbraw/zinc/98/99/03/655989903.db2.gz MNHUNRIAXSIAIY-UXHICEINSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC001025425418 656009500 /nfs/dbraw/zinc/00/95/00/656009500.db2.gz POZWODRCHFVOMR-SJLPKXTDSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2scc(C)c2Cl)C1 ZINC001025426966 656009899 /nfs/dbraw/zinc/00/98/99/656009899.db2.gz ACMJZJSCCKTFDK-STQMWFEESA-N 0 3 324.877 3.173 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC001025423736 656010049 /nfs/dbraw/zinc/01/00/49/656010049.db2.gz DHPONUPBEVDDDR-GJZGRUSLSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2sc(C)cc2C)C1 ZINC001025429225 656010621 /nfs/dbraw/zinc/01/06/21/656010621.db2.gz AECVFCBJOIXDBC-JKSUJKDBSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC001025432214 656011313 /nfs/dbraw/zinc/01/13/13/656011313.db2.gz SHTJEZVNIKDYSD-GJZGRUSLSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)oc(C)c2C)C1 ZINC001025477345 656019517 /nfs/dbraw/zinc/01/95/17/656019517.db2.gz GTIVLKIDKNKBAB-RHSMWYFYSA-N 0 3 316.445 3.058 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC001025525284 656028643 /nfs/dbraw/zinc/02/86/43/656028643.db2.gz ZTECWXHHBGFPEM-GJZGRUSLSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC001025521381 656029246 /nfs/dbraw/zinc/02/92/46/656029246.db2.gz ZTSXKINEYJCADG-QWHCGFSZSA-N 0 3 324.371 3.071 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccsc2Cl)C1 ZINC001025551607 656033949 /nfs/dbraw/zinc/03/39/49/656033949.db2.gz JKMSNORLOISCLX-QWHCGFSZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(Cl)cs2)C1 ZINC001025549849 656034752 /nfs/dbraw/zinc/03/47/52/656034752.db2.gz WFUQXHQPYHWOIY-OLZOCXBDSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001025558946 656036740 /nfs/dbraw/zinc/03/67/40/656036740.db2.gz PWCOXNNWDIXDNK-BBRMVZONSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC001025566657 656037357 /nfs/dbraw/zinc/03/73/57/656037357.db2.gz FOCGXBKFZFZLNL-LSDHHAIUSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001025566444 656037433 /nfs/dbraw/zinc/03/74/33/656037433.db2.gz ASUNALZBLOTSLS-NCXUSEDFSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001025581488 656039402 /nfs/dbraw/zinc/03/94/02/656039402.db2.gz DEGUYZRNXGZTCB-GDBMZVCRSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC001025596169 656042635 /nfs/dbraw/zinc/04/26/35/656042635.db2.gz YJIADWVXRBFCDI-ZFWWWQNUSA-N 0 3 316.470 3.089 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC001025611036 656047303 /nfs/dbraw/zinc/04/73/03/656047303.db2.gz IUHABXINNBWZHL-ZWKOTPCHSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001025619497 656049916 /nfs/dbraw/zinc/04/99/16/656049916.db2.gz XPNJDGXDWHMTEI-OXQOHEQNSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001025631678 656052650 /nfs/dbraw/zinc/05/26/50/656052650.db2.gz CYUYVWIHKCNPDA-JZFKGDSASA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2F)C[C@@H]1C ZINC000947671601 656113172 /nfs/dbraw/zinc/11/31/72/656113172.db2.gz NGRHABZTSQPVMZ-NWDGAFQWSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974641006 656219304 /nfs/dbraw/zinc/21/93/04/656219304.db2.gz FAOCQILTKDYILW-UONOGXRCSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C3CCC3)cc2)C(C)(C)C1 ZINC000974650129 656220414 /nfs/dbraw/zinc/22/04/14/656220414.db2.gz AUEKEDUDZMZLLT-IBGZPJMESA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc3ccccc32)C(C)(C)C1 ZINC000974787065 656230123 /nfs/dbraw/zinc/23/01/23/656230123.db2.gz DFBBZFLWYVDYQG-GOSISDBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(C(F)F)c2)C(C)(C)C1 ZINC000974806130 656230774 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C=CCN1C[C@]2(C)CN(C(=O)c3coc4ccccc43)C[C@]2(C)C1 ZINC000982853087 657105544 /nfs/dbraw/zinc/10/55/44/657105544.db2.gz DZOYAEWEBWGAET-BGYRXZFFSA-N 0 3 324.424 3.403 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@H]3CC)CC2)CC1 ZINC001000253984 657106645 /nfs/dbraw/zinc/10/66/45/657106645.db2.gz SYRZCCICKSYKPD-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H]3C[C@@]3(CC)C(C)C)CC2)CC1 ZINC001000302687 657110832 /nfs/dbraw/zinc/11/08/32/657110832.db2.gz YESOICYIGPXTHL-MJGOQNOKSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3C[C@@]3(C)C(C)C)CC2)CC1 ZINC001000304454 657110920 /nfs/dbraw/zinc/11/09/20/657110920.db2.gz HBGZYXOIKSRORS-HKUYNNGSSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@]3(CC)C(C)C)CC2)CC1 ZINC001000302688 657111028 /nfs/dbraw/zinc/11/10/28/657111028.db2.gz YESOICYIGPXTHL-PKOBYXMFSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(C)cc1C)C2 ZINC001045982688 657112632 /nfs/dbraw/zinc/11/26/32/657112632.db2.gz DMKZZBACZXRQLH-OAQYLSRUSA-N 0 3 324.468 3.255 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cccc(C)c1C)C2 ZINC001045983360 657112893 /nfs/dbraw/zinc/11/28/93/657112893.db2.gz NIOXGVDBCGDZHW-OAQYLSRUSA-N 0 3 324.468 3.255 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2occc2-c2ccccc2)C1 ZINC001028676678 657140766 /nfs/dbraw/zinc/14/07/66/657140766.db2.gz OSUOZTMIXWAOTL-MRXNPFEDSA-N 0 3 322.408 3.022 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001046346202 657150055 /nfs/dbraw/zinc/15/00/55/657150055.db2.gz WVBZOCIFKLNIAY-FQEVSTJZSA-N 0 3 323.440 3.314 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001028711414 657153800 /nfs/dbraw/zinc/15/38/00/657153800.db2.gz AILKTGVPMZAYQG-INIZCTEOSA-N 0 3 324.424 3.125 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc3c2CCCCC3)C1 ZINC001046404232 657157738 /nfs/dbraw/zinc/15/77/38/657157738.db2.gz YFBFQCFKPCWHHD-OAQYLSRUSA-N 0 3 324.468 3.173 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001046467734 657166874 /nfs/dbraw/zinc/16/68/74/657166874.db2.gz JYQPBOJUADPNPC-IBGZPJMESA-N 0 3 311.429 3.041 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc3ccccc3cc2F)C1 ZINC001046476698 657168543 /nfs/dbraw/zinc/16/85/43/657168543.db2.gz FLJHXIPSYZANKR-HXUWFJFHSA-N 0 3 324.399 3.196 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001046516342 657171558 /nfs/dbraw/zinc/17/15/58/657171558.db2.gz JESHICDWCGMCMM-FQEVSTJZSA-N 0 3 324.424 3.267 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046587129 657184034 /nfs/dbraw/zinc/18/40/34/657184034.db2.gz AGXFBISHSWKYMN-LJQANCHMSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001046761480 657213084 /nfs/dbraw/zinc/21/30/84/657213084.db2.gz VRWUOJMMCVGOPT-IBGZPJMESA-N 0 3 309.413 3.062 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccccc2OC(C)C)CC1 ZINC001001390927 657213164 /nfs/dbraw/zinc/21/31/64/657213164.db2.gz XFHCNNLARXUHKM-UHFFFAOYSA-N 0 3 314.429 3.022 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001046771617 657215511 /nfs/dbraw/zinc/21/55/11/657215511.db2.gz RKMHBYNWNBXQCY-HXUWFJFHSA-N 0 3 310.441 3.172 20 30 DGEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2cnc(C3CC3)s2)C1 ZINC001046787170 657219407 /nfs/dbraw/zinc/21/94/07/657219407.db2.gz USMMTKWKIQPLGX-KRWDZBQOSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001038417379 657235825 /nfs/dbraw/zinc/23/58/25/657235825.db2.gz LSSUAJRHYGPZCR-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001050019832 657236816 /nfs/dbraw/zinc/23/68/16/657236816.db2.gz RGPVFVOGFNYXAO-JKSUJKDBSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001046858617 657238104 /nfs/dbraw/zinc/23/81/04/657238104.db2.gz SXKYLYZIPMVKSA-UYAOXDASSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001050041236 657239606 /nfs/dbraw/zinc/23/96/06/657239606.db2.gz VXAHFYLWOZSFHD-LSDHHAIUSA-N 0 3 304.459 3.169 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001046873388 657241228 /nfs/dbraw/zinc/24/12/28/657241228.db2.gz XUORTJHZGFMWFB-LADRWXRNSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cscc3Cl)[C@@H]2C1 ZINC001050069333 657243870 /nfs/dbraw/zinc/24/38/70/657243870.db2.gz BINYBOIDDRWYEU-SMDDNHRTSA-N 0 3 310.850 3.124 20 30 DGEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2ccsc2)C1 ZINC001046915893 657246391 /nfs/dbraw/zinc/24/63/91/657246391.db2.gz DZFFCVQMZXWMTG-ZDUSSCGKSA-N 0 3 314.401 3.011 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)cc(Cl)c3)[C@@H]2C1 ZINC001050095687 657248688 /nfs/dbraw/zinc/24/86/88/657248688.db2.gz YQBPVLMEGPMYBB-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)CC3CCCC3)[C@@H]2C1 ZINC001050154565 657260901 /nfs/dbraw/zinc/26/09/01/657260901.db2.gz RJMNUDHTZGOXBD-BPQIPLTHSA-N 0 3 304.478 3.312 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001050183933 657265284 /nfs/dbraw/zinc/26/52/84/657265284.db2.gz CGLOPVPOPFYBTM-YSIASYRMSA-N 0 3 324.468 3.045 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C/C=C/Cl)C3)CC1 ZINC001047137650 657269641 /nfs/dbraw/zinc/26/96/41/657269641.db2.gz CRGWNTBISZZYCT-IFKWOPHNSA-N 0 3 322.880 3.454 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001050205868 657270555 /nfs/dbraw/zinc/27/05/55/657270555.db2.gz WLINOQYYFVFNKL-UWWQBHOKSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001050213123 657272253 /nfs/dbraw/zinc/27/22/53/657272253.db2.gz ZJMDLXPYUSRNPU-YESZJQIVSA-N 0 3 304.478 3.312 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001029024442 657273645 /nfs/dbraw/zinc/27/36/45/657273645.db2.gz IPBZVTUTCTYDMK-QGZVFWFLSA-N 0 3 322.452 3.329 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001047220893 657280972 /nfs/dbraw/zinc/28/09/72/657280972.db2.gz JJMJIOAOCMVTPY-WMZOPIPTSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(C)C(C)C)C2)CC1 ZINC001047238101 657284632 /nfs/dbraw/zinc/28/46/32/657284632.db2.gz CREKGDNXTKCWAO-GOSISDBHSA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC3(C)C)C2)CC1 ZINC001047249972 657286851 /nfs/dbraw/zinc/28/68/51/657286851.db2.gz YDQORNAPYROORN-QZTJIDSGSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(CC)CC)C2)CC1 ZINC001047266239 657289437 /nfs/dbraw/zinc/28/94/37/657289437.db2.gz UILZOSFWTAHWKP-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCC[C@H]3CCC)C2)CC1 ZINC001050571949 657325944 /nfs/dbraw/zinc/32/59/44/657325944.db2.gz RUDNKZYQHDBJSE-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001050616419 657331318 /nfs/dbraw/zinc/33/13/18/657331318.db2.gz AFMHYMFSXLULBZ-VMPITWQZSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2cscn2)C1 ZINC001047923453 657333387 /nfs/dbraw/zinc/33/33/87/657333387.db2.gz FUCBKWWICTVKBM-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)c3ccccc3C)C2)CC1 ZINC001050763998 657357586 /nfs/dbraw/zinc/35/75/86/657357586.db2.gz VYCGWJDSNHDYCN-SFHVURJKSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCOc1ccccc1CNCc1ccc2c(c1)CCCN2C ZINC000058477238 657366587 /nfs/dbraw/zinc/36/65/87/657366587.db2.gz UGMUNUJVRPEWTE-UHFFFAOYSA-N 0 3 320.436 3.371 20 30 DGEDHN CN(CCC#N)c1ccc(CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000237200659 657378551 /nfs/dbraw/zinc/37/85/51/657378551.db2.gz WMLFWQJIBRLSHE-FQEVSTJZSA-N 0 3 323.440 3.034 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC000968395745 657405295 /nfs/dbraw/zinc/40/52/95/657405295.db2.gz QUBKIRCALGLCPY-HIFRSBDPSA-N 0 3 319.449 3.123 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC000968416799 657408236 /nfs/dbraw/zinc/40/82/36/657408236.db2.gz BEGIRIUYCAOFBK-PBHICJAKSA-N 0 3 316.445 3.020 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000968464782 657414747 /nfs/dbraw/zinc/41/47/47/657414747.db2.gz LPDTUJDKNWLRHP-MKXGPGLRSA-N 0 3 318.505 3.299 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968492559 657416902 /nfs/dbraw/zinc/41/69/02/657416902.db2.gz JSIBWWCHMGNITG-BEFAXECRSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505832 657418774 /nfs/dbraw/zinc/41/87/74/657418774.db2.gz RCUNXZABLOLLHF-IUODEOHRSA-N 0 3 317.458 3.246 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000968566383 657428280 /nfs/dbraw/zinc/42/82/80/657428280.db2.gz RTDIOXZIPKBIKO-XSLAGTTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC000968566243 657428560 /nfs/dbraw/zinc/42/85/60/657428560.db2.gz PLHLWZJIZHUFCX-TZMCWYRMSA-N 0 3 319.474 3.037 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968589222 657434959 /nfs/dbraw/zinc/43/49/59/657434959.db2.gz SNANGSYILZDGAT-AEFFLSMTSA-N 0 3 300.446 3.320 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC000968597495 657436641 /nfs/dbraw/zinc/43/66/41/657436641.db2.gz YOWJAXJPARGZHX-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968606875 657439329 /nfs/dbraw/zinc/43/93/29/657439329.db2.gz KXOKUHNZBFPTRN-YJBOKZPZSA-N 0 3 300.446 3.265 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)OC)cc1 ZINC000249913855 657439827 /nfs/dbraw/zinc/43/98/27/657439827.db2.gz WZCYEHMPSKHBKW-XEZPLFJOSA-N 0 3 316.401 3.272 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000968619641 657445302 /nfs/dbraw/zinc/44/53/02/657445302.db2.gz OUFPETQKTFYNFN-QAPCUYQASA-N 0 3 312.457 3.075 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC000968627928 657448364 /nfs/dbraw/zinc/44/83/64/657448364.db2.gz PSYCFLDCJZTEBO-AEFFLSMTSA-N 0 3 314.473 3.367 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC000968695454 657462637 /nfs/dbraw/zinc/46/26/37/657462637.db2.gz PNBOAMTUSFAVRV-PBHICJAKSA-N 0 3 312.413 3.449 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC000968695456 657462755 /nfs/dbraw/zinc/46/27/55/657462755.db2.gz PNBOAMTUSFAVRV-WMLDXEAASA-N 0 3 312.413 3.449 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC000968730378 657474569 /nfs/dbraw/zinc/47/45/69/657474569.db2.gz WPJDDKKDCROAEG-OAHLLOKOSA-N 0 3 304.459 3.054 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1scnc1CC ZINC000968884982 657509471 /nfs/dbraw/zinc/50/94/71/657509471.db2.gz INWZLAGVUOQIPK-AWEZNQCLSA-N 0 3 321.490 3.256 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC000968910269 657514192 /nfs/dbraw/zinc/51/41/92/657514192.db2.gz QBMFNLJZOVUNPT-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)oc3C)C2)C1 ZINC001040062184 657517870 /nfs/dbraw/zinc/51/78/70/657517870.db2.gz ALOFAPGGHYNYGL-GOSISDBHSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC000968941208 657518405 /nfs/dbraw/zinc/51/84/05/657518405.db2.gz JYRNRMBDARXWHH-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC000968950151 657522588 /nfs/dbraw/zinc/52/25/88/657522588.db2.gz WEABUUFLISKSRF-GOSISDBHSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC000969007445 657532458 /nfs/dbraw/zinc/53/24/58/657532458.db2.gz CLMCKWBDNNWJQT-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000969011069 657533538 /nfs/dbraw/zinc/53/35/38/657533538.db2.gz KBSLDYNQTSBURC-KRWDZBQOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000969063091 657546316 /nfs/dbraw/zinc/54/63/16/657546316.db2.gz ZKVHGXZEKXGDJL-OTWHNJEPSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC000969096702 657555587 /nfs/dbraw/zinc/55/55/87/657555587.db2.gz CMIACZAFLNUWFS-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001007446604 657609702 /nfs/dbraw/zinc/60/97/02/657609702.db2.gz RGWGHSORUPHQCW-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000304311991 657623875 /nfs/dbraw/zinc/62/38/75/657623875.db2.gz RDWXLFZEQYNBNK-DNVCBOLYSA-N 0 3 310.397 3.191 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001008394429 657691596 /nfs/dbraw/zinc/69/15/96/657691596.db2.gz NMYKBDLJINJMCJ-GOSISDBHSA-N 0 3 314.473 3.311 20 30 DGEDHN CC[C@H](C)C(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000959882432 657721307 /nfs/dbraw/zinc/72/13/07/657721307.db2.gz AEUHGAGOKVSGQS-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3sccc3c2)C1 ZINC001009051855 657744349 /nfs/dbraw/zinc/74/43/49/657744349.db2.gz RKVQNDGXZSWGQM-MRXNPFEDSA-N 0 3 312.438 3.119 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2coc(C3CCCC3)n2)C1 ZINC001009025936 657744749 /nfs/dbraw/zinc/74/47/49/657744749.db2.gz BAQWMYXXQVVYQJ-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001009131908 657751766 /nfs/dbraw/zinc/75/17/66/657751766.db2.gz MJBXCWVPEHTBOZ-STQMWFEESA-N 0 3 324.877 3.109 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1F ZINC000960238888 657765041 /nfs/dbraw/zinc/76/50/41/657765041.db2.gz KDUYAZIKGUJBNZ-RTBURBONSA-N 0 3 324.399 3.387 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC000985574737 657765808 /nfs/dbraw/zinc/76/58/08/657765808.db2.gz QCCMMTFGFDIFED-UHFFFAOYSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(C)c1F ZINC000960272254 657770269 /nfs/dbraw/zinc/77/02/69/657770269.db2.gz VVUNDQCMEXKESH-IEBWSBKVSA-N 0 3 324.399 3.306 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(C)cccc1C ZINC000960306626 657775725 /nfs/dbraw/zinc/77/57/25/657775725.db2.gz JXQSBVOAPIULLA-UYAOXDASSA-N 0 3 320.436 3.475 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC000960322830 657777713 /nfs/dbraw/zinc/77/77/13/657777713.db2.gz CIZKZTFDODRGGS-NIKGAXFTSA-N 0 3 312.457 3.371 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccoc1CCC ZINC000960325790 657777933 /nfs/dbraw/zinc/77/79/33/657777933.db2.gz CDLXJZUJGISZKD-IEBWSBKVSA-N 0 3 324.424 3.404 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C)cc1 ZINC000960326199 657778108 /nfs/dbraw/zinc/77/81/08/657778108.db2.gz VAOBIANCFMKXNH-RTBURBONSA-N 0 3 306.409 3.166 20 30 DGEDHN CC(C)CC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960382712 657802435 /nfs/dbraw/zinc/80/24/35/657802435.db2.gz IZOGSJGGLYJOHV-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001009790683 657818426 /nfs/dbraw/zinc/81/84/26/657818426.db2.gz WZTDNCXSSBSGKP-MRXNPFEDSA-N 0 3 320.383 3.016 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(CCF)C2)C1 ZINC000961234116 657985836 /nfs/dbraw/zinc/98/58/36/657985836.db2.gz XJLDZRQXLWGIAG-CVEARBPZSA-N 0 3 310.457 3.119 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001038631030 657988102 /nfs/dbraw/zinc/98/81/02/657988102.db2.gz HKPKQGFSCIQWAK-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CCC[C@H](N(Cc2ccccc2)C(=O)C2CC2)C1 ZINC001029916834 657993868 /nfs/dbraw/zinc/99/38/68/657993868.db2.gz DOFDBONRAQGZRC-IBGZPJMESA-N 0 3 312.457 3.466 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cccc(C(F)F)c2F)C1 ZINC001014475924 658019968 /nfs/dbraw/zinc/01/99/68/658019968.db2.gz BEDWFYKIDBALRB-NSHDSACASA-N 0 3 312.335 3.144 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001014786877 658050892 /nfs/dbraw/zinc/05/08/92/658050892.db2.gz VFWNNEKCOUICOQ-KZNAEPCWSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001014948783 658069191 /nfs/dbraw/zinc/06/91/91/658069191.db2.gz VAEGJLIURHTCKR-MCIONIFRSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C[C@@H]1C ZINC000947825695 658087508 /nfs/dbraw/zinc/08/75/08/658087508.db2.gz VPGDUJHWHCAFST-WMLDXEAASA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001015221952 658101165 /nfs/dbraw/zinc/10/11/65/658101165.db2.gz HBQJPYWBKPELKX-CQSZACIVSA-N 0 3 314.385 3.310 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000962959655 658146208 /nfs/dbraw/zinc/14/62/08/658146208.db2.gz IRSWWGJVSMEYHN-QLPKVWCKSA-N 0 3 318.848 3.309 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000963209198 658160378 /nfs/dbraw/zinc/16/03/78/658160378.db2.gz OZNIFSZOVLFAHK-CABCVRRESA-N 0 3 322.836 3.349 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001015675529 658163413 /nfs/dbraw/zinc/16/34/13/658163413.db2.gz AVJXUNXUYHSPPE-QGZVFWFLSA-N 0 3 323.440 3.215 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN([C@@H]3CCc4ccccc43)C2)C1 ZINC001015677531 658165746 /nfs/dbraw/zinc/16/57/46/658165746.db2.gz XEVDFZLFHMWDCY-FUHWJXTLSA-N 0 3 310.441 3.221 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963245300 658168589 /nfs/dbraw/zinc/16/85/89/658168589.db2.gz UYFRLWPQUHNRKF-CVEARBPZSA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963249173 658169745 /nfs/dbraw/zinc/16/97/45/658169745.db2.gz VDPULNOMQUHMDR-HOTGVXAUSA-N 0 3 310.869 3.242 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000963264995 658177028 /nfs/dbraw/zinc/17/70/28/658177028.db2.gz QJQNWCAONYWBFT-GDBMZVCRSA-N 0 3 321.852 3.084 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000963305688 658188767 /nfs/dbraw/zinc/18/87/67/658188767.db2.gz FHSSKEQVNIVEPN-HZPDHXFCSA-N 0 3 321.852 3.084 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963389763 658209325 /nfs/dbraw/zinc/20/93/25/658209325.db2.gz GIEMGPNAXNEUMV-HUUCEWRRSA-N 0 3 312.885 3.488 20 30 DGEDHN N#CCOc1ccc(CNCc2cccc3cccnc32)cc1 ZINC000321526829 658221929 /nfs/dbraw/zinc/22/19/29/658221929.db2.gz IJDBIMLHULGOJM-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016073823 658231456 /nfs/dbraw/zinc/23/14/56/658231456.db2.gz BWNIKLYPNIRZFG-GOSISDBHSA-N 0 3 308.425 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001016222766 658258149 /nfs/dbraw/zinc/25/81/49/658258149.db2.gz RKLCGIBRPDFTKV-SFHVURJKSA-N 0 3 300.446 3.265 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2coc(C3CCCCC3)n2)C1 ZINC001016383621 658277059 /nfs/dbraw/zinc/27/70/59/658277059.db2.gz KVQBQAXBTVIHFB-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001016642463 658310970 /nfs/dbraw/zinc/31/09/70/658310970.db2.gz ZIOMGXRLJZLNRX-ROUUACIJSA-N 0 3 314.473 3.117 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3sccc3c2)CC1 ZINC001016910229 658350003 /nfs/dbraw/zinc/35/00/03/658350003.db2.gz RGDFRBWLGOJNQG-KRWDZBQOSA-N 0 3 324.449 3.119 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3ccccc3c2)CC1 ZINC001016939934 658353951 /nfs/dbraw/zinc/35/39/51/658353951.db2.gz KNQYMYJJUZVLML-LJQANCHMSA-N 0 3 318.420 3.057 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2sccc2C(C)C)CC1 ZINC001016983092 658362752 /nfs/dbraw/zinc/36/27/52/658362752.db2.gz ODNPWEQKLCENQM-OAHLLOKOSA-N 0 3 316.470 3.089 20 30 DGEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cccc(C)c3s2)C1 ZINC000989061047 658431262 /nfs/dbraw/zinc/43/12/62/658431262.db2.gz CUEXURLWTAQMOD-ZFWWWQNUSA-N 0 3 312.438 3.036 20 30 DGEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C3CCCC3)cc2)C1 ZINC000989192192 658449452 /nfs/dbraw/zinc/44/94/52/658449452.db2.gz CISJKBDDOOVAPP-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017861064 658468643 /nfs/dbraw/zinc/46/86/43/658468643.db2.gz NTUMUHYXASWBHG-BDXSIMOUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001017875314 658472264 /nfs/dbraw/zinc/47/22/64/658472264.db2.gz PCUIYIWJGKTSMB-KDURUIRLSA-N 0 3 312.457 3.179 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966456984 658476306 /nfs/dbraw/zinc/47/63/06/658476306.db2.gz PNNWTHKGQFGZTI-HKUYNNGSSA-N 0 3 314.473 3.249 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CC=C(C)C)CC[C@@H]1C ZINC000966693987 658491738 /nfs/dbraw/zinc/49/17/38/658491738.db2.gz MFUBUQQQRAFXAS-DLBZAZTESA-N 0 3 315.461 3.081 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC000966751596 658497649 /nfs/dbraw/zinc/49/76/49/658497649.db2.gz KVAYCOYLMRZHRM-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1C ZINC000127867704 658504515 /nfs/dbraw/zinc/50/45/15/658504515.db2.gz OMGYPRZQKJLKDA-QGZVFWFLSA-N 0 3 322.364 3.030 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(CC)C(C)C ZINC001018131855 658505010 /nfs/dbraw/zinc/50/50/10/658505010.db2.gz XITIPRZEOGSEOQ-NTDBWNAOSA-N 0 3 304.478 3.310 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccc1 ZINC001018192566 658513792 /nfs/dbraw/zinc/51/37/92/658513792.db2.gz MUISCQPZXQSQSG-KURKYZTESA-N 0 3 315.461 3.081 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1 ZINC001018240988 658523695 /nfs/dbraw/zinc/52/36/95/658523695.db2.gz UKHMCRUXSQDCNJ-HDICACEKSA-N 0 3 316.420 3.010 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000989608299 658526656 /nfs/dbraw/zinc/52/66/56/658526656.db2.gz CVTDAPUJGJKFLD-QGZVFWFLSA-N 0 3 300.446 3.291 20 30 DGEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc(C)ccc3s2)C1 ZINC000989628381 658532244 /nfs/dbraw/zinc/53/22/44/658532244.db2.gz DELZNHFNDKXELX-UKRRQHHQSA-N 0 3 312.438 3.036 20 30 DGEDHN C#CCCN1CCCN(C(=O)CC[C@H]2CCc3ccccc32)CC1 ZINC000989720795 658554683 /nfs/dbraw/zinc/55/46/83/658554683.db2.gz YYLBLVBQRUXDEM-LJQANCHMSA-N 0 3 324.468 3.054 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001019331655 658631919 /nfs/dbraw/zinc/63/19/19/658631919.db2.gz ASSHSVOPVSWNOM-KBXCAEBGSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](N[C@H](C)c3ccccc3F)C2)C1 ZINC001019352298 658637481 /nfs/dbraw/zinc/63/74/81/658637481.db2.gz LJOIPLRISLEOAP-CABCVRRESA-N 0 3 316.420 3.434 20 30 DGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccc(Cl)o3)CCC[C@@H]12 ZINC000989957892 658649006 /nfs/dbraw/zinc/64/90/06/658649006.db2.gz MTAATHXUAOEOFZ-CJNGLKHVSA-N 0 3 308.809 3.236 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)C3CCCCCC3)CCC[C@H]12 ZINC000989987796 658653417 /nfs/dbraw/zinc/65/34/17/658653417.db2.gz KQSYEMPOATUBNN-HKUYNNGSSA-N 0 3 302.462 3.093 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000968076563 658665182 /nfs/dbraw/zinc/66/51/82/658665182.db2.gz CZFSOJGQJBANRN-BLLLJJGKSA-N 0 3 324.827 3.495 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133265 658672108 /nfs/dbraw/zinc/67/21/08/658672108.db2.gz STRZWUFTLCJJIR-KBXCAEBGSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968153643 658674390 /nfs/dbraw/zinc/67/43/90/658674390.db2.gz LXRIUIMYGQRZBT-WMLDXEAASA-N 0 3 320.864 3.285 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)C3=CCCCCC3)CCC[C@H]12 ZINC000990353417 658675395 /nfs/dbraw/zinc/67/53/95/658675395.db2.gz JJSZAWJMSZSFLP-HKUYNNGSSA-N 0 3 300.446 3.013 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC000968192334 658681209 /nfs/dbraw/zinc/68/12/09/658681209.db2.gz QRIXVFRNYPOLCE-DNVCBOLYSA-N 0 3 323.440 3.251 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC000968214855 658684237 /nfs/dbraw/zinc/68/42/37/658684237.db2.gz UJEPBEHLTASEGN-WFASDCNBSA-N 0 3 322.399 3.290 20 30 DGEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)c(C)c1 ZINC000127934777 658685378 /nfs/dbraw/zinc/68/53/78/658685378.db2.gz GSRLBAGXBVFXSJ-MRXNPFEDSA-N 0 3 322.364 3.030 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968345406 658704393 /nfs/dbraw/zinc/70/43/93/658704393.db2.gz LEMJVJDNGAJHHR-YOEHRIQHSA-N 0 3 311.429 3.184 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001020146216 658710173 /nfs/dbraw/zinc/71/01/73/658710173.db2.gz XHJCCLRJJGBWGC-OJAKKHQRSA-N 0 3 308.809 3.006 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001020241432 658716863 /nfs/dbraw/zinc/71/68/63/658716863.db2.gz KLQNCQCVGUXMGG-QBEJSXAFSA-N 0 3 322.880 3.048 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000067797895 658718491 /nfs/dbraw/zinc/71/84/91/658718491.db2.gz MKYNDVDGXBKYOO-MRXNPFEDSA-N 0 3 314.429 3.370 20 30 DGEDHN CCN(CC)C(=O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000030637749 658719168 /nfs/dbraw/zinc/71/91/68/658719168.db2.gz LBCOBUBYVLIJIV-UHFFFAOYSA-N 0 3 321.424 3.330 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCC4(CC4)C3)CCC[C@@H]12 ZINC000990682935 658721555 /nfs/dbraw/zinc/72/15/55/658721555.db2.gz ICWNJHYEUZMJHS-FRQCXROJSA-N 0 3 302.462 3.256 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001038258550 658738193 /nfs/dbraw/zinc/73/81/93/658738193.db2.gz GEWJZBNYRDYVEN-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001040321985 658743687 /nfs/dbraw/zinc/74/36/87/658743687.db2.gz 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ZINC000992165940 659480037 /nfs/dbraw/zinc/48/00/37/659480037.db2.gz CEBDQTGWLGUMDM-CRAIPNDOSA-N 0 3 302.418 3.145 20 30 DGEDHN C=C(C)CN1CC[C@]2(NC(=O)c3occc3Cl)CCC[C@@H]12 ZINC000992174862 659483762 /nfs/dbraw/zinc/48/37/62/659483762.db2.gz VBAJWSPSEGCTCH-CZUORRHYSA-N 0 3 308.809 3.236 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(Cl)c(F)c3)CCC[C@@H]12 ZINC000992258703 659501797 /nfs/dbraw/zinc/50/17/97/659501797.db2.gz LKGQAGXKLVUSDU-NVXWUHKLSA-N 0 3 322.811 3.392 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)c(F)c3F)CCC[C@H]12 ZINC000992288560 659511243 /nfs/dbraw/zinc/51/12/43/659511243.db2.gz SWTIPIVOLJGDAM-KSSFIOAISA-N 0 3 320.383 3.186 20 30 DGEDHN C#CCCN1CC[C@]2(NC(=O)c3cc(Cl)cs3)CCC[C@H]12 ZINC000992307658 659519476 /nfs/dbraw/zinc/51/94/76/659519476.db2.gz XRQMUUDNYWMDGM-GOEBONIOSA-N 0 3 322.861 3.152 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)CCC[C@@H]12 ZINC000992314346 659522218 /nfs/dbraw/zinc/52/22/18/659522218.db2.gz SQJQJVWUCMWRRN-PXCRPINLSA-N 0 3 324.468 3.398 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/nfs/dbraw/zinc/85/83/78/686858378.db2.gz BGHBJNRZPPZTCF-ZBFHGGJFSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cncc3ccccc32)CC[C@@H]1C ZINC001072092783 686862037 /nfs/dbraw/zinc/86/20/37/686862037.db2.gz XIPHOVPKOVOORZ-DOTOQJQBSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@@H]1C ZINC001072101112 686866714 /nfs/dbraw/zinc/86/67/14/686866714.db2.gz DIYOFIAIDRVHGX-GJZGRUSLSA-N 0 3 302.418 3.009 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)CC[C@H]1C ZINC001072110312 686871856 /nfs/dbraw/zinc/87/18/56/686871856.db2.gz WBZMNWHSZAWOFE-JZFKGDSASA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cccc(C(F)F)c3F)C2)C1 ZINC001072743452 686955681 /nfs/dbraw/zinc/95/56/81/686955681.db2.gz OTZXSBQKFFBRDQ-UHFFFAOYSA-N 0 3 324.346 3.097 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(c4cc(C)cc(C)c4)CC3)C2)C1 ZINC001073435592 687193531 /nfs/dbraw/zinc/19/35/31/687193531.db2.gz XLNVADCEKMUEPP-UHFFFAOYSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CC3CCC(C)(C)CC3)C2)C1 ZINC001073495515 687206871 /nfs/dbraw/zinc/20/68/71/687206871.db2.gz JSCAPIPCPLEWML-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001073687692 687216160 /nfs/dbraw/zinc/21/61/60/687216160.db2.gz YKMYFVFNBHVWNJ-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCC(=O)N1CCCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC001073928874 687237927 /nfs/dbraw/zinc/23/79/27/687237927.db2.gz XGFXNUGRNLGDQS-GOSISDBHSA-N 0 3 313.445 3.171 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)CC)CC2)CC1 ZINC001075441427 687381588 /nfs/dbraw/zinc/38/15/88/687381588.db2.gz GJXJPEATHBGFLZ-OAHLLOKOSA-N 0 3 312.885 3.490 20 30 DGEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)C3CC3)CC2)CC1 ZINC001075443115 687382737 /nfs/dbraw/zinc/38/27/37/687382737.db2.gz HVVFDOYMRKMDOP-HNNXBMFYSA-N 0 3 324.896 3.490 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3csc(C)c3C)[C@@H]2C1 ZINC001075831185 687448397 /nfs/dbraw/zinc/44/83/97/687448397.db2.gz MJQMNSYFERBWDC-GOEBONIOSA-N 0 3 304.459 3.087 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)[C@@H]2C1 ZINC001075904424 687455131 /nfs/dbraw/zinc/45/51/31/687455131.db2.gz WEVKRZJTYSYLMQ-CADBVGFASA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)[C@@H]2C1 ZINC001076201316 687495008 /nfs/dbraw/zinc/49/50/08/687495008.db2.gz SFHILNXBLXTUTF-DOTOQJQBSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3cc4occc4s3)[C@@H]2C1 ZINC001076236150 687498722 /nfs/dbraw/zinc/49/87/22/687498722.db2.gz XRNATGVWSGPXAP-QWHCGFSZSA-N 0 3 316.426 3.217 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(F)c4ccccc34)[C@@H]2C1 ZINC001076274618 687500293 /nfs/dbraw/zinc/50/02/93/687500293.db2.gz KRCNLHLBERRPKA-IFXJQAMLSA-N 0 3 324.399 3.311 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)Cc3cccs3)[C@@H]2C1 ZINC001076310924 687506643 /nfs/dbraw/zinc/50/66/43/687506643.db2.gz LYXSTACGYWWYHB-HLLBOEOZSA-N 0 3 318.486 3.036 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3coc4ccccc34)[C@@H]2C1 ZINC001076403374 687520509 /nfs/dbraw/zinc/52/05/09/687520509.db2.gz WWGUJWHLJYQIKC-MAUKXSAKSA-N 0 3 324.424 3.084 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)s3)[C@@H]2C1 ZINC001076458942 687524833 /nfs/dbraw/zinc/52/48/33/687524833.db2.gz RZXDQSTWKJGDJC-OWCLPIDISA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001076485979 687528496 /nfs/dbraw/zinc/52/84/96/687528496.db2.gz WHZQQLDGZFTPSC-WSTZPKSXSA-N 0 3 324.468 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CCCCC2)C12CCC2 ZINC001078531569 687677028 /nfs/dbraw/zinc/67/70/28/687677028.db2.gz OIXPDBPNMONMAC-CABCVRRESA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCCCC2)C12CCC2 ZINC001078531570 687677320 /nfs/dbraw/zinc/67/73/20/687677320.db2.gz OIXPDBPNMONMAC-GJZGRUSLSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)Cc2ccsc2)C12CCC2 ZINC001078543319 687679501 /nfs/dbraw/zinc/67/95/01/687679501.db2.gz NBZNEVIXPZZKGE-KGLIPLIRSA-N 0 3 324.877 3.060 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cccs2)C12CCC2 ZINC001078543454 687679558 /nfs/dbraw/zinc/67/95/58/687679558.db2.gz OOQFVWWBUQBWMW-CHWSQXEVSA-N 0 3 310.850 3.131 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)oc2C)C12CCC2 ZINC001078550733 687681379 /nfs/dbraw/zinc/68/13/79/687681379.db2.gz ILWPSSLSLCLJNW-LSDHHAIUSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccc(CC)o2)C12CCC2 ZINC001078661430 687699561 /nfs/dbraw/zinc/69/95/61/687699561.db2.gz UFIICOSSPXOVRW-CABCVRRESA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)C2CC2)C12CCC2 ZINC001078706187 687708648 /nfs/dbraw/zinc/70/86/48/687708648.db2.gz ZIKXZCWFHRFOTI-KGLIPLIRSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2occc2CC)C12CCC2 ZINC001078720676 687713222 /nfs/dbraw/zinc/71/32/22/687713222.db2.gz OWFHMZUFOQJNRC-UONOGXRCSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001080356037 687957078 /nfs/dbraw/zinc/95/70/78/687957078.db2.gz HDNCZNDIEQAIOS-IAQYHMDHSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001080378683 687965535 /nfs/dbraw/zinc/96/55/35/687965535.db2.gz STOZGMVEKLECCG-CZUORRHYSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001080539385 687993635 /nfs/dbraw/zinc/99/36/35/687993635.db2.gz AYUHEAMULYNICI-NVXWUHKLSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001080547789 687994887 /nfs/dbraw/zinc/99/48/87/687994887.db2.gz VKVGXCNCEBPXFE-NVXWUHKLSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001080880679 688021851 /nfs/dbraw/zinc/02/18/51/688021851.db2.gz PYTSTOGDTPPMQZ-DNVCBOLYSA-N 0 3 308.425 3.466 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001080971360 688030165 /nfs/dbraw/zinc/03/01/65/688030165.db2.gz QGVGTIFLWSBLEI-PBFPGSCMSA-N 0 3 322.399 3.081 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC001576623945 1191855997 /nfs/dbraw/zinc/85/59/97/1191855997.db2.gz MWFGDADFUHXJGB-XYVMCAHJSA-N 0 3 313.445 3.191 20 30 DGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@H](N)C2CCCCCC2)cc1 ZINC001578252860 1191933970 /nfs/dbraw/zinc/93/39/70/1191933970.db2.gz SKQBJLJFIBPVIG-QZTJIDSGSA-N 0 3 313.445 3.228 20 30 DGEDHN CCc1ccc([C@H]2CCCCCN2C(=O)[C@H](N)CCCC#N)o1 ZINC001578255598 1191934633 /nfs/dbraw/zinc/93/46/33/1191934633.db2.gz VAEPXBNHGCSFPP-HZPDHXFCSA-N 0 3 317.433 3.307 20 30 DGEDHN Cc1cc2ccccc2c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC001579627076 1191983380 /nfs/dbraw/zinc/98/33/80/1191983380.db2.gz ZYLUQEOTNYUZCQ-LFDOHDQPSA-N 0 3 319.408 3.226 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H](N)CCCCC#N ZINC001579643917 1191984235 /nfs/dbraw/zinc/98/42/35/1191984235.db2.gz XBPWRAYECVZFIA-LSDHHAIUSA-N 0 3 317.433 3.129 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC001580050798 1192004861 /nfs/dbraw/zinc/00/48/61/1192004861.db2.gz LRAAOXRSRSLQIY-ZWKOTPCHSA-N 0 3 321.424 3.355 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2cccnc2)c1 ZINC001620714554 1192074140 /nfs/dbraw/zinc/07/41/40/1192074140.db2.gz XPOLMACIGWJUSU-UHFFFAOYSA-N 0 3 316.202 3.048 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H]1CCCCC1(C)C ZINC001663695973 1196930810 /nfs/dbraw/zinc/93/08/10/1196930810.db2.gz DAKDMVQDKRBQRI-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCC1([NH2+]Cc2c(C)cc(-c3nnn[n-]3)cc2C)CCCCC1 ZINC001588335188 1192445500 /nfs/dbraw/zinc/44/55/00/1192445500.db2.gz BRJFIWGBDLXTNC-UHFFFAOYSA-N 0 3 323.444 3.299 20 30 DGEDHN C#CCC1([NH2+]Cc2c(C)cc(-c3nn[n-]n3)cc2C)CCCCC1 ZINC001588335188 1192445502 /nfs/dbraw/zinc/44/55/02/1192445502.db2.gz BRJFIWGBDLXTNC-UHFFFAOYSA-N 0 3 323.444 3.299 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588561063 1192449480 /nfs/dbraw/zinc/44/94/80/1192449480.db2.gz WXVZWCQAKBWLKR-WBVHZDCISA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588561063 1192449488 /nfs/dbraw/zinc/44/94/88/1192449488.db2.gz WXVZWCQAKBWLKR-WBVHZDCISA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588546098 1192450003 /nfs/dbraw/zinc/45/00/03/1192450003.db2.gz XJTGQVXLUOIADW-SFHVURJKSA-N 0 3 319.412 3.144 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588546098 1192450010 /nfs/dbraw/zinc/45/00/10/1192450010.db2.gz XJTGQVXLUOIADW-SFHVURJKSA-N 0 3 319.412 3.144 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588539421 1192450250 /nfs/dbraw/zinc/45/02/50/1192450250.db2.gz KMJMDELAEVOCAI-INIZCTEOSA-N 0 3 311.433 3.436 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588539421 1192450253 /nfs/dbraw/zinc/45/02/53/1192450253.db2.gz KMJMDELAEVOCAI-INIZCTEOSA-N 0 3 311.433 3.436 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CC2(CCC2)C1 ZINC001588648641 1192453002 /nfs/dbraw/zinc/45/30/02/1192453002.db2.gz NPHIXXSSZQFZHR-UHFFFAOYSA-N 0 3 323.444 3.435 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CC2(CCC2)C1 ZINC001588648641 1192453005 /nfs/dbraw/zinc/45/30/05/1192453005.db2.gz NPHIXXSSZQFZHR-UHFFFAOYSA-N 0 3 323.444 3.435 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CC2(CCC2)C1 ZINC001588648641 1192453006 /nfs/dbraw/zinc/45/30/06/1192453006.db2.gz NPHIXXSSZQFZHR-UHFFFAOYSA-N 0 3 323.444 3.435 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CC2(CCC2)C1 ZINC001588648641 1192453009 /nfs/dbraw/zinc/45/30/09/1192453009.db2.gz NPHIXXSSZQFZHR-UHFFFAOYSA-N 0 3 323.444 3.435 20 30 DGEDHN C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589963426 1192480488 /nfs/dbraw/zinc/48/04/88/1192480488.db2.gz XCBAVWDQPCJPRU-AWEZNQCLSA-N 0 3 324.432 3.381 20 30 DGEDHN C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589963426 1192480489 /nfs/dbraw/zinc/48/04/89/1192480489.db2.gz XCBAVWDQPCJPRU-AWEZNQCLSA-N 0 3 324.432 3.381 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(Cc2cncs2)C(C)C)C1 ZINC001664535014 1197011069 /nfs/dbraw/zinc/01/10/69/1197011069.db2.gz VYWKKTAYQVSSAK-UHFFFAOYSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1scnc1Cl)c1ccccc1 ZINC001664598970 1197019894 /nfs/dbraw/zinc/01/98/94/1197019894.db2.gz OPFOGVYIFDCDOT-GFCCVEGCSA-N 0 3 321.833 3.043 20 30 DGEDHN C=CCOc1ccc(CNCc2cnc3onc(C)c3c2)cc1 ZINC001620933170 1192628280 /nfs/dbraw/zinc/62/82/80/1192628280.db2.gz IBIWMYBRPDCSNQ-UHFFFAOYSA-N 0 3 309.369 3.386 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CC[C@H]2CCCC2(F)F)C1 ZINC001665292990 1197119179 /nfs/dbraw/zinc/11/91/79/1197119179.db2.gz HBRCABBQMVLKKU-OAHLLOKOSA-N 0 3 314.420 3.216 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1c(C)cccc1Cl ZINC001772511609 1176041215 /nfs/dbraw/zinc/04/12/15/1176041215.db2.gz WGUYXDQCFKSURX-OAHLLOKOSA-N 0 3 320.864 3.388 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccccc1F ZINC001691793907 1176054299 /nfs/dbraw/zinc/05/42/99/1176054299.db2.gz HSSHVFDMPIZEAR-HOTGVXAUSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001691770919 1176155949 /nfs/dbraw/zinc/15/59/49/1176155949.db2.gz NYADDARPLLWLLH-NNUKFRKNSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cncc(C)c1 ZINC001671337988 1176161684 /nfs/dbraw/zinc/16/16/84/1176161684.db2.gz XKXCVZBQTFQKRA-SJLPKXTDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001670712564 1176228915 /nfs/dbraw/zinc/22/89/15/1176228915.db2.gz BJEPXWPTDBFYKU-NVXWUHKLSA-N 0 3 317.477 3.372 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001670728648 1176246026 /nfs/dbraw/zinc/24/60/26/1176246026.db2.gz ATGFVRGTJSBHMD-HKUYNNGSSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001670730262 1176250777 /nfs/dbraw/zinc/25/07/77/1176250777.db2.gz VTLWVYKCAMTSLM-KMFTYDHNSA-N 0 3 324.468 3.265 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001772541174 1176272068 /nfs/dbraw/zinc/27/20/68/1176272068.db2.gz OIPKRBBVZYQDSE-LBPRGKRZSA-N 0 3 309.479 3.053 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCCCCC)cc1 ZINC001691052908 1176278319 /nfs/dbraw/zinc/27/83/19/1176278319.db2.gz GNKAUTQLRIKUHH-LJQANCHMSA-N 0 3 312.457 3.395 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1[C@@H]1CCc2c1cccc2F ZINC001691069971 1176293086 /nfs/dbraw/zinc/29/30/86/1176293086.db2.gz SNTQZIBBNBDLJP-RDTXWAMCSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)C(F)(F)F ZINC001691068998 1176293182 /nfs/dbraw/zinc/29/31/82/1176293182.db2.gz ULYGSOBXBAIIKI-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001691079865 1176298119 /nfs/dbraw/zinc/29/81/19/1176298119.db2.gz QDTDWISSINMUCN-SJLPKXTDSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001691098063 1176309429 /nfs/dbraw/zinc/30/94/29/1176309429.db2.gz YMCFLKFQTSTTQA-RTBURBONSA-N 0 3 314.473 3.268 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001691095425 1176309468 /nfs/dbraw/zinc/30/94/68/1176309468.db2.gz YJLWFBFZRVYDEH-QGZVFWFLSA-N 0 3 318.486 3.331 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001700061158 1176314731 /nfs/dbraw/zinc/31/47/31/1176314731.db2.gz QAUTWSKMHGHZQW-ZFWWWQNUSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](CC)CC(F)(F)F ZINC001691106134 1176317631 /nfs/dbraw/zinc/31/76/31/1176317631.db2.gz RDASAHWPCJQJDP-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001691110410 1176319678 /nfs/dbraw/zinc/31/96/78/1176319678.db2.gz NZPYPBWRQUHZBZ-YSIASYRMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001691116884 1176324775 /nfs/dbraw/zinc/32/47/75/1176324775.db2.gz AOGULHZATXGVGO-QLFBSQMISA-N 0 3 300.874 3.296 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001691173813 1176358102 /nfs/dbraw/zinc/35/81/02/1176358102.db2.gz LVWYGLZZCFRAEH-KRWDZBQOSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc2cnccc21)C1CC1 ZINC001691236401 1176407626 /nfs/dbraw/zinc/40/76/26/1176407626.db2.gz DFWRWFLICVOPRO-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C=C1CCC1 ZINC001691294752 1176427659 /nfs/dbraw/zinc/42/76/59/1176427659.db2.gz MPGWYAJVPUDAJN-CJNGLKHVSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)n(CC)c1C ZINC001691389437 1176458319 /nfs/dbraw/zinc/45/83/19/1176458319.db2.gz YSJSRDZOUUUSPL-KRWDZBQOSA-N 0 3 317.477 3.237 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(CC)CC)C(C)(C)[C@@H]21 ZINC001691429569 1176534390 /nfs/dbraw/zinc/53/43/90/1176534390.db2.gz ZZSAXTBATHKIGG-KBAYOESNSA-N 0 3 304.478 3.051 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)c(F)c1)c1ccccc1 ZINC001691788876 1176619490 /nfs/dbraw/zinc/61/94/90/1176619490.db2.gz WXFVYJQDXJQQIP-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCCc2ccc(F)cc2)CC1 ZINC001752307929 1176723062 /nfs/dbraw/zinc/72/30/62/1176723062.db2.gz BEHQZIVKYBXWMD-UHFFFAOYSA-N 0 3 318.436 3.257 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC001598188449 1192765770 /nfs/dbraw/zinc/76/57/70/1192765770.db2.gz GTKDRXRXUYKBIZ-LSDHHAIUSA-N 0 3 300.512 3.241 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@](C)(CC)CCC)CCO2 ZINC001755174719 1176824375 /nfs/dbraw/zinc/82/43/75/1176824375.db2.gz VAUOHHDJKVTCNR-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001670780280 1176837046 /nfs/dbraw/zinc/83/70/46/1176837046.db2.gz SSFRCKYBKAOKDN-MSOLQXFVSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC=C)CC=C ZINC001752534482 1176888657 /nfs/dbraw/zinc/88/86/57/1176888657.db2.gz KIEITJRETDPIIE-HDICACEKSA-N 0 3 302.462 3.396 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)CCc1csc(C)n1 ZINC001755310557 1176893110 /nfs/dbraw/zinc/89/31/10/1176893110.db2.gz AENFBMVDUZFXHW-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687383973 1176897562 /nfs/dbraw/zinc/89/75/62/1176897562.db2.gz IVIJBPDGYDBMLM-SFHVURJKSA-N 0 3 315.461 3.177 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001753765135 1176950297 /nfs/dbraw/zinc/95/02/97/1176950297.db2.gz CJLMLLGOMPZTEL-MRXNPFEDSA-N 0 3 306.837 3.414 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)Cc1ccccc1C1CC1 ZINC001753852670 1176968064 /nfs/dbraw/zinc/96/80/64/1176968064.db2.gz WVYHHWYGFTZWEP-UHFFFAOYSA-N 0 3 312.457 3.114 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC001620990307 1192777399 /nfs/dbraw/zinc/77/73/99/1192777399.db2.gz MJAUNDQCBDEPNU-YJBOKZPZSA-N 0 3 320.452 3.172 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001753870048 1176982096 /nfs/dbraw/zinc/98/20/96/1176982096.db2.gz OCMRXDOPAGKTEL-QGZVFWFLSA-N 0 3 306.425 3.286 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H](C)C(F)(F)F ZINC001752820794 1177200500 /nfs/dbraw/zinc/20/05/00/1177200500.db2.gz QOSUHWQKNDAUIJ-QWHCGFSZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001752822897 1177205116 /nfs/dbraw/zinc/20/51/16/1177205116.db2.gz QDBXDNYFRXVMLO-LSDHHAIUSA-N 0 3 306.475 3.398 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001666135663 1197238755 /nfs/dbraw/zinc/23/87/55/1197238755.db2.gz YUFGBZQJEFOYTG-AWEZNQCLSA-N 0 3 310.825 3.172 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](CC)CCCC)CC(C)(C)C1 ZINC001691809417 1177313844 /nfs/dbraw/zinc/31/38/44/1177313844.db2.gz NBZZYHSHZYEEHT-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001752862780 1177355059 /nfs/dbraw/zinc/35/50/59/1177355059.db2.gz SAXCFNHWCVAFAJ-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H](C)NCc1ccsc1)c1ccccc1 ZINC001752921197 1177442796 /nfs/dbraw/zinc/44/27/96/1177442796.db2.gz NQIKEHLKOBIUJV-PBHICJAKSA-N 0 3 314.454 3.312 20 30 DGEDHN C=CC[C@@H](C(=O)NCC1(NC/C=C/Cl)CC1)c1ccccc1 ZINC001670903402 1177524371 /nfs/dbraw/zinc/52/43/71/1177524371.db2.gz JCUYSSASAAZDSD-GXDWLZFVSA-N 0 3 318.848 3.337 20 30 DGEDHN C#CCCCCC(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001671050234 1177583371 /nfs/dbraw/zinc/58/33/71/1177583371.db2.gz NRXFUKSCTYDSPH-QGZVFWFLSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001691660778 1177603629 /nfs/dbraw/zinc/60/36/29/1177603629.db2.gz FVMUNGRPRALODK-WBVHZDCISA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001691677486 1177678853 /nfs/dbraw/zinc/67/88/53/1177678853.db2.gz CTVZZKXOBGKBLD-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)c1ccccc1 ZINC001691678597 1177680440 /nfs/dbraw/zinc/68/04/40/1177680440.db2.gz NZLYNLKITYUBBV-RBUKOAKNSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC001113664807 1177727351 /nfs/dbraw/zinc/72/73/51/1177727351.db2.gz AARQNYXTOHUKFP-MJGOQNOKSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2sc(C)nc2C)C1 ZINC001691867027 1177779397 /nfs/dbraw/zinc/77/93/97/1177779397.db2.gz LHLXPHYMPQXKCH-OAHLLOKOSA-N 0 3 321.490 3.263 20 30 DGEDHN CNC(=O)c1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000109004353 1177865158 /nfs/dbraw/zinc/86/51/58/1177865158.db2.gz FPOJTGQKYHWEOJ-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN C=C1CCC(CNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC001687540958 1177874547 /nfs/dbraw/zinc/87/45/47/1177874547.db2.gz AWEQGNFPIVWTDJ-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001274622930 1177919317 /nfs/dbraw/zinc/91/93/17/1177919317.db2.gz HLQSIDBWRIFSFK-QAPCUYQASA-N 0 3 316.420 3.098 20 30 DGEDHN Cc1cccc(CN2CC[C@H](Nc3nccc(C)c3C#N)C2)c1 ZINC001307178369 1178084386 /nfs/dbraw/zinc/08/43/86/1178084386.db2.gz YJUTYXAJUXKGDP-KRWDZBQOSA-N 0 3 306.413 3.257 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001331440375 1178214815 /nfs/dbraw/zinc/21/48/15/1178214815.db2.gz HPQATYHMRUJTFO-QZTJIDSGSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C)nc1C ZINC001331549178 1178243963 /nfs/dbraw/zinc/24/39/63/1178243963.db2.gz VHNPXHXCOLOOLJ-BEFAXECRSA-N 0 3 317.477 3.237 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001331597972 1178256595 /nfs/dbraw/zinc/25/65/95/1178256595.db2.gz UMLZZVBNKCMHCD-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001331953561 1178317896 /nfs/dbraw/zinc/31/78/96/1178317896.db2.gz KRMGLHJRTWLMQV-CVEARBPZSA-N 0 3 316.445 3.331 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001331993142 1178331067 /nfs/dbraw/zinc/33/10/67/1178331067.db2.gz VZWPMUPLNRZNDA-KGLIPLIRSA-N 0 3 317.458 3.055 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001332089829 1178356100 /nfs/dbraw/zinc/35/61/00/1178356100.db2.gz KVIFTBVEUALPJS-DZGCQCFKSA-N 0 3 318.383 3.408 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCc3ccc(C)cc3)CCC[C@@H]12 ZINC001332108643 1178360758 /nfs/dbraw/zinc/36/07/58/1178360758.db2.gz CGJDMIPLDLMVSP-CTNGQTDRSA-N 0 3 324.468 3.064 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@H]1CC[C@@H](C)O1)C(C)C ZINC001332707227 1178477370 /nfs/dbraw/zinc/47/73/70/1178477370.db2.gz KGJJSVUYENDBEW-IAGOWNOFSA-N 0 3 310.482 3.079 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C[C@@H]1CC[C@@H](C)O1)C(C)C ZINC001332707705 1178478526 /nfs/dbraw/zinc/47/85/26/1178478526.db2.gz PJFNRWFQSCODED-SJORKVTESA-N 0 3 324.509 3.325 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1cc(C)cc(C)c1)C(C)C ZINC001332722160 1178481613 /nfs/dbraw/zinc/48/16/13/1178481613.db2.gz GDAJZONJKFZXOW-UHFFFAOYSA-N 0 3 302.462 3.201 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2ccncc21)C(C)C ZINC001332736152 1178486669 /nfs/dbraw/zinc/48/66/69/1178486669.db2.gz WUGSQRMSVXPNLL-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1cc(C)ccc1F)C(C)C ZINC001332734918 1178487524 /nfs/dbraw/zinc/48/75/24/1178487524.db2.gz GKSKTEISMAXDPH-UHFFFAOYSA-N 0 3 306.425 3.031 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)Nc1sccc1C#N ZINC001333222968 1178573703 /nfs/dbraw/zinc/57/37/03/1178573703.db2.gz DOPAAXWGKAEHIO-UHFFFAOYSA-N 0 3 320.462 3.350 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC001335858271 1178964701 /nfs/dbraw/zinc/96/47/01/1178964701.db2.gz WPABCROOJPOQQY-IAGOWNOFSA-N 0 3 302.418 3.042 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC001341584315 1179033254 /nfs/dbraw/zinc/03/32/54/1179033254.db2.gz DSRYVMCODNMSPZ-INIZCTEOSA-N 0 3 320.481 3.194 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC001341613927 1179038789 /nfs/dbraw/zinc/03/87/89/1179038789.db2.gz MBKWOMPVTSCEIP-ZWKOTPCHSA-N 0 3 315.461 3.100 20 30 DGEDHN CC[C@H]1CCCc2sc(NC(=O)[C@H](N)CCCCC#N)nc21 ZINC001341780839 1179061857 /nfs/dbraw/zinc/06/18/57/1179061857.db2.gz POMXNUFMCPGMFQ-NWDGAFQWSA-N 0 3 320.462 3.323 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001341822053 1179067634 /nfs/dbraw/zinc/06/76/34/1179067634.db2.gz AFNZHSCPQAAQIA-AHMWJEGASA-N 0 3 305.381 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001341876778 1179076281 /nfs/dbraw/zinc/07/62/81/1179076281.db2.gz QXQMVOBDQUTIQZ-DZGCQCFKSA-N 0 3 322.836 3.003 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC2(F)F)c1 ZINC001341940949 1179083541 /nfs/dbraw/zinc/08/35/41/1179083541.db2.gz VQIVQXKBZNSNJA-JSGCOSHPSA-N 0 3 320.339 3.468 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1csc2ccccc21 ZINC001341949161 1179084612 /nfs/dbraw/zinc/08/46/12/1179084612.db2.gz BPDTZVHVCBCIAY-FZMZJTMJSA-N 0 3 301.415 3.100 20 30 DGEDHN CC1(C)CCN(C(=O)[C@H](N)CCCC#N)C[C@@H]1c1ccccc1 ZINC001342112976 1179104844 /nfs/dbraw/zinc/10/48/44/1179104844.db2.gz XAJOQHQQXUCWKZ-IAGOWNOFSA-N 0 3 313.445 3.050 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC001342230742 1179120637 /nfs/dbraw/zinc/12/06/37/1179120637.db2.gz GHVIIKMMSVAYLG-ROUUACIJSA-N 0 3 317.477 3.450 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCc2ccccn2)C1 ZINC001342324722 1179130071 /nfs/dbraw/zinc/13/00/71/1179130071.db2.gz JYVFDTQUXYUNLE-LJQANCHMSA-N 0 3 324.424 3.438 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc(N)c3ccccc3n2)c(C)c1 ZINC001342605047 1179159530 /nfs/dbraw/zinc/15/95/30/1179159530.db2.gz JGZYKNUGYBKXJY-OAHLLOKOSA-N 0 3 316.364 3.319 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](CCOC)c2ccccc21 ZINC001343681841 1179315801 /nfs/dbraw/zinc/31/58/01/1179315801.db2.gz SKSLPMYHVQWTGA-WBVHZDCISA-N 0 3 316.445 3.227 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001343841706 1179336385 /nfs/dbraw/zinc/33/63/85/1179336385.db2.gz HKGGAODWUXOPDL-DLBZAZTESA-N 0 3 322.412 3.040 20 30 DGEDHN CCn1nc(C(C)C)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001344003941 1179362964 /nfs/dbraw/zinc/36/29/64/1179362964.db2.gz CQZMJTJPFGPLBH-NSHDSACASA-N 0 3 300.337 3.051 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344367471 1179420481 /nfs/dbraw/zinc/42/04/81/1179420481.db2.gz GXJPPZBMUUUBJN-QWRGUYRKSA-N 0 3 317.776 3.209 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344367473 1179421194 /nfs/dbraw/zinc/42/11/94/1179421194.db2.gz GXJPPZBMUUUBJN-WDEREUQCSA-N 0 3 317.776 3.209 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cnn(C2CCCCC2)c1 ZINC001344875501 1179490963 /nfs/dbraw/zinc/49/09/63/1179490963.db2.gz SLRSQVVSYGOWCC-OAHLLOKOSA-N 0 3 311.389 3.095 20 30 DGEDHN CCOc1ccccc1CNCCC(=O)Nc1cccc(C#N)c1 ZINC001345606894 1179578664 /nfs/dbraw/zinc/57/86/64/1179578664.db2.gz SAGCIYMDNFKBGJ-UHFFFAOYSA-N 0 3 323.396 3.075 20 30 DGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001345622347 1179581761 /nfs/dbraw/zinc/58/17/61/1179581761.db2.gz ZIIFVUFBZBBVKX-AAEUAGOBSA-N 0 3 318.327 3.001 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001346492826 1179711346 /nfs/dbraw/zinc/71/13/46/1179711346.db2.gz MLWHOMLAFJOASV-HOTGVXAUSA-N 0 3 319.836 3.415 20 30 DGEDHN N#CC(C(=O)CCC(F)(F)F)c1nccn1Cc1ccccc1 ZINC001346537751 1179717736 /nfs/dbraw/zinc/71/77/36/1179717736.db2.gz PNAQAQAXRCABPQ-CYBMUJFWSA-N 0 3 321.302 3.450 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC(F)F)c1cccc(F)n1 ZINC001347123223 1179780260 /nfs/dbraw/zinc/78/02/60/1179780260.db2.gz JPIITTJITNSIBJ-JTQLQIEISA-N 0 3 306.243 3.312 20 30 DGEDHN C=CCC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001602833658 1192999197 /nfs/dbraw/zinc/99/91/97/1192999197.db2.gz UEUUSHQCVFYKDV-HNNXBMFYSA-N 0 3 317.824 3.355 20 30 DGEDHN C=CCC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001602833658 1192999198 /nfs/dbraw/zinc/99/91/98/1192999198.db2.gz UEUUSHQCVFYKDV-HNNXBMFYSA-N 0 3 317.824 3.355 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1OC(C)C ZINC001353290000 1180519773 /nfs/dbraw/zinc/51/97/73/1180519773.db2.gz ICDAAVDQYLBDAR-CQSZACIVSA-N 0 3 306.406 3.105 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2ccncc2Cl)C1 ZINC001100370976 1180623899 /nfs/dbraw/zinc/62/38/99/1180623899.db2.gz JSECTCIGDIEWCZ-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=S)NCCN1CCCCC1 ZINC001200429586 1180635075 /nfs/dbraw/zinc/63/50/75/1180635075.db2.gz JTKYLFCDERMAKS-UHFFFAOYSA-N 0 3 317.502 3.035 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 ZINC001353747940 1180640201 /nfs/dbraw/zinc/64/02/01/1180640201.db2.gz ARKPQIYLXQSDFF-TZMCWYRMSA-N 0 3 321.490 3.225 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCc1ccccc1)CCN(C)C ZINC001354038089 1180709299 /nfs/dbraw/zinc/70/92/99/1180709299.db2.gz IAXXYVSHYCRUII-KRWDZBQOSA-N 0 3 302.462 3.222 20 30 DGEDHN N#CCOc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC001354161913 1180734456 /nfs/dbraw/zinc/73/44/56/1180734456.db2.gz ZCPRLKGHZKMIFJ-UHFFFAOYSA-N 0 3 308.381 3.204 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001100543643 1180776729 /nfs/dbraw/zinc/77/67/29/1180776729.db2.gz QILWKXBPCKHSCW-UHFFFAOYSA-N 0 3 310.869 3.194 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100563381 1180792754 /nfs/dbraw/zinc/79/27/54/1180792754.db2.gz FVSICULYBCKPGS-UHFFFAOYSA-N 0 3 304.409 3.022 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100595262 1180834921 /nfs/dbraw/zinc/83/49/21/1180834921.db2.gz QZOVFGNJKYAMMG-GRTSSRMGSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001100606491 1180845482 /nfs/dbraw/zinc/84/54/82/1180845482.db2.gz IFGGWAUBMHBKRV-UHFFFAOYSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)CC1(C)C ZINC001355134674 1180994537 /nfs/dbraw/zinc/99/45/37/1180994537.db2.gz OZSRFBBSLSPSOC-GJZGRUSLSA-N 0 3 306.837 3.251 20 30 DGEDHN CC[C@@H](C)C[C@@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001355379975 1181047867 /nfs/dbraw/zinc/04/78/67/1181047867.db2.gz RYQSMFPYMVVBOS-RDTXWAMCSA-N 0 3 313.445 3.028 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)c1ccccc1 ZINC001355888238 1181109672 /nfs/dbraw/zinc/10/96/72/1181109672.db2.gz LQIMWTXQPBFWFG-HNNXBMFYSA-N 0 3 311.433 3.041 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1scnc1-c1ccccc1 ZINC001357233614 1181372189 /nfs/dbraw/zinc/37/21/89/1181372189.db2.gz JETTVLTUZZLPKU-CYBMUJFWSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ncccc1C)C(C)(C)C ZINC001358452783 1181496112 /nfs/dbraw/zinc/49/61/12/1181496112.db2.gz MEJNOIOSHZZGAH-GOEBONIOSA-N 0 3 303.450 3.277 20 30 DGEDHN C=CC[C@H]1N(CC(=O)N2C[C@H](C)OC(C)(C)C2)CCCC1(C)C ZINC001473432489 1181527035 /nfs/dbraw/zinc/52/70/35/1181527035.db2.gz MOTHELHSDBHXNS-JKSUJKDBSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(cccc2C)o1 ZINC001448873803 1182217694 /nfs/dbraw/zinc/21/76/94/1182217694.db2.gz OLWKCYFLCSWHKO-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCN(C)C(C)(C)CC1 ZINC001454269539 1182334463 /nfs/dbraw/zinc/33/44/63/1182334463.db2.gz RPLLCBQBJNGPTD-UHFFFAOYSA-N 0 3 312.498 3.306 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC001456060096 1182397290 /nfs/dbraw/zinc/39/72/90/1182397290.db2.gz URESORNYPXQEAH-UHFFFAOYSA-N 0 3 318.436 3.462 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2ccc(C)c(F)c2)CC1 ZINC001458410708 1182521407 /nfs/dbraw/zinc/52/14/07/1182521407.db2.gz QFVQNALJXYJMJL-SFHVURJKSA-N 0 3 316.420 3.047 20 30 DGEDHN C#CCN(C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001459346816 1182581627 /nfs/dbraw/zinc/58/16/27/1182581627.db2.gz UBYFJLBAFPKRKX-NHCUHLMSSA-N 0 3 316.404 3.214 20 30 DGEDHN CCC1(CC)CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC001460415145 1182688032 /nfs/dbraw/zinc/68/80/32/1182688032.db2.gz JLANNYROZCPQNN-RDJZCZTQSA-N 0 3 307.482 3.332 20 30 DGEDHN C#CCC1(N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CCC1 ZINC001460816921 1182726257 /nfs/dbraw/zinc/72/62/57/1182726257.db2.gz HSGHFGVZARKWDF-KRWDZBQOSA-N 0 3 310.441 3.253 20 30 DGEDHN C[C@@H](CCC#N)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC001462021223 1182896143 /nfs/dbraw/zinc/89/61/43/1182896143.db2.gz TVSGPKYNURYCAR-HNNXBMFYSA-N 0 3 305.853 3.397 20 30 DGEDHN C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC001462290671 1182934111 /nfs/dbraw/zinc/93/41/11/1182934111.db2.gz CHUPVIBBJWQKRW-UHFFFAOYSA-N 0 3 314.360 3.052 20 30 DGEDHN C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC001462290671 1182934115 /nfs/dbraw/zinc/93/41/15/1182934115.db2.gz CHUPVIBBJWQKRW-UHFFFAOYSA-N 0 3 314.360 3.052 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001469317857 1183400091 /nfs/dbraw/zinc/40/00/91/1183400091.db2.gz NIXCTCWXATYXFI-DOTOQJQBSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001469868214 1183443488 /nfs/dbraw/zinc/44/34/88/1183443488.db2.gz OYEAUUKGBPMRDZ-SFHVURJKSA-N 0 3 315.461 3.225 20 30 DGEDHN C=CCCC1(CNC(=O)NCCN2CCCCC2)CCCC1 ZINC001470791055 1183514459 /nfs/dbraw/zinc/51/44/59/1183514459.db2.gz XPIVXUFBWNDWHX-UHFFFAOYSA-N 0 3 307.482 3.298 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC001473238727 1183733912 /nfs/dbraw/zinc/73/39/12/1183733912.db2.gz MGDQVOHVXRVXHA-JKSUJKDBSA-N 0 3 316.445 3.382 20 30 DGEDHN C=CCCCN(CC)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001473861808 1183814877 /nfs/dbraw/zinc/81/48/77/1183814877.db2.gz MWRUTHHROSCFIR-HNNXBMFYSA-N 0 3 308.372 3.358 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001473885189 1183819080 /nfs/dbraw/zinc/81/90/80/1183819080.db2.gz SBTYILNPEVJECY-IAGOWNOFSA-N 0 3 300.402 3.100 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@H](C)CCC#N)CC1 ZINC001473910063 1183825676 /nfs/dbraw/zinc/82/56/76/1183825676.db2.gz MBBCGWSXJKEUAW-CQSZACIVSA-N 0 3 309.454 3.400 20 30 DGEDHN N#CCc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC001474192037 1183880063 /nfs/dbraw/zinc/88/00/63/1183880063.db2.gz HNZJYEIITFFAJI-UHFFFAOYSA-N 0 3 302.381 3.433 20 30 DGEDHN CCc1cc(OC)ccc1CNCc1ccc(OC)c(C#N)c1 ZINC001474247986 1183889766 /nfs/dbraw/zinc/88/97/66/1183889766.db2.gz MEOPVQQUHCMTDX-UHFFFAOYSA-N 0 3 310.397 3.428 20 30 DGEDHN C=CCN(Cc1ccc(C(=O)OC)n1C)CC1CCCCC1 ZINC001474387122 1183913306 /nfs/dbraw/zinc/91/33/06/1183913306.db2.gz VUODCLPRARBLLI-UHFFFAOYSA-N 0 3 304.434 3.380 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001474484551 1183928914 /nfs/dbraw/zinc/92/89/14/1183928914.db2.gz UCCMFMRZHPCVEF-GOSISDBHSA-N 0 3 311.429 3.481 20 30 DGEDHN CSc1ccc(CNCc2ccc(O)c(F)c2)cc1C#N ZINC001474704818 1183964819 /nfs/dbraw/zinc/96/48/19/1183964819.db2.gz GMXDWJBROBXRIS-UHFFFAOYSA-N 0 3 302.374 3.415 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc2c(c1)CCCCC2 ZINC001476835248 1184053594 /nfs/dbraw/zinc/05/35/94/1184053594.db2.gz CJRLRUHKEMELKO-UHFFFAOYSA-N 0 3 313.445 3.032 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC=CCCC2)CC1 ZINC001477806179 1184112544 /nfs/dbraw/zinc/11/25/44/1184112544.db2.gz ZHAHYSVAJWWHKN-INIZCTEOSA-N 0 3 305.466 3.073 20 30 DGEDHN C=C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC001478767564 1184173818 /nfs/dbraw/zinc/17/38/18/1184173818.db2.gz ZREJAEAFTBCZRB-WMZOPIPTSA-N 0 3 313.445 3.011 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001479343753 1184236567 /nfs/dbraw/zinc/23/65/67/1184236567.db2.gz CWCVCFXCBKHYID-HRCADAONSA-N 0 3 320.864 3.335 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC3(C)CC3)C(C)(C)[C@H]21 ZINC001479615660 1184275708 /nfs/dbraw/zinc/27/57/08/1184275708.db2.gz XDUMKQSEZQIWAB-NXHRZFHOSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cccc(Cl)c2)[C@H]1CC ZINC001479639415 1184283166 /nfs/dbraw/zinc/28/31/66/1184283166.db2.gz ZROVZCQMIZIUOO-DLBZAZTESA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)[C@H]1CC ZINC001479647325 1184284048 /nfs/dbraw/zinc/28/40/48/1184284048.db2.gz KRUIMWXYZWDPBF-FHLIZLRMSA-N 0 3 318.436 3.474 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCN(C[C@H](F)CC)C[C@H]2C1 ZINC001479667079 1184287316 /nfs/dbraw/zinc/28/73/16/1184287316.db2.gz JOGKPWTVFDVMGB-OWCLPIDISA-N 0 3 310.457 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)OC2CCCCCC2)[C@H]1C ZINC001479718858 1184298468 /nfs/dbraw/zinc/29/84/68/1184298468.db2.gz UICGJERBHDIMHX-RYRKJORJSA-N 0 3 322.493 3.269 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccccc1C(C)(C)CC ZINC001479778803 1184320994 /nfs/dbraw/zinc/32/09/94/1184320994.db2.gz GYCTZCYEHZZVMR-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN CCC/C=C/CCN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479902772 1184371610 /nfs/dbraw/zinc/37/16/10/1184371610.db2.gz ATURJEBWUCCMAG-IWAYRVGRSA-N 0 3 304.478 3.363 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2sccc2F)C1 ZINC001479902657 1184372383 /nfs/dbraw/zinc/37/23/83/1184372383.db2.gz WFLGYRCQACLMON-STQMWFEESA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2sccc2F)C1 ZINC001479902656 1184373445 /nfs/dbraw/zinc/37/34/45/1184373445.db2.gz WFLGYRCQACLMON-OLZOCXBDSA-N 0 3 310.438 3.436 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CCCCCF)C2)cc1 ZINC001479907609 1184375407 /nfs/dbraw/zinc/37/54/07/1184375407.db2.gz GADHSJBMCIPJGS-SFHVURJKSA-N 0 3 316.420 3.002 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001479909994 1184377651 /nfs/dbraw/zinc/37/76/51/1184377651.db2.gz ARECOFJNCHHEEQ-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001479911508 1184378488 /nfs/dbraw/zinc/37/84/88/1184378488.db2.gz LIMYWRIZAJIFFA-ZWKOTPCHSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2sccc2C)CC1 ZINC001479989674 1184404785 /nfs/dbraw/zinc/40/47/85/1184404785.db2.gz JMBCMUHZZLHFIV-UHFFFAOYSA-N 0 3 318.486 3.396 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2c(C)coc2C)CC1 ZINC001479992414 1184405661 /nfs/dbraw/zinc/40/56/61/1184405661.db2.gz QNRNGJFCUPKBKR-UHFFFAOYSA-N 0 3 316.445 3.236 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC001479993537 1184406109 /nfs/dbraw/zinc/40/61/09/1184406109.db2.gz SDRQOBADUUWMLW-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001480038922 1184415513 /nfs/dbraw/zinc/41/55/13/1184415513.db2.gz STRLUVIIIICTLX-INIZCTEOSA-N 0 3 322.399 3.161 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)C[C@H](F)CC)C2)C1 ZINC001480084506 1184430229 /nfs/dbraw/zinc/43/02/29/1184430229.db2.gz LSOGQEFBEZLJJB-JKSUJKDBSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)C[C@@H](F)CC)C2)C1 ZINC001480084503 1184430648 /nfs/dbraw/zinc/43/06/48/1184430648.db2.gz LSOGQEFBEZLJJB-HOTGVXAUSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](OCC)C(C)C ZINC001480096354 1184434070 /nfs/dbraw/zinc/43/40/70/1184434070.db2.gz ULQNOJURBAFFNO-FGTMMUONSA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001480108192 1184436721 /nfs/dbraw/zinc/43/67/21/1184436721.db2.gz BCNYRFNUEKOYKA-ZDUSSCGKSA-N 0 3 324.877 3.286 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001480264130 1184475257 /nfs/dbraw/zinc/47/52/57/1184475257.db2.gz WADHLTYJGOIPEE-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(CC)CCCCC1 ZINC001480331428 1184495306 /nfs/dbraw/zinc/49/53/06/1184495306.db2.gz LQNCRSNLBPNWSW-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CCOCC)CCCC1 ZINC001480334850 1184497279 /nfs/dbraw/zinc/49/72/79/1184497279.db2.gz KMYPZWRBHKGZFO-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1cnc(C)s1 ZINC001480345571 1184501257 /nfs/dbraw/zinc/50/12/57/1184501257.db2.gz KOIJOSQBMHGLDF-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCC(NCc2ocnc2C)CC1 ZINC001480408278 1184524734 /nfs/dbraw/zinc/52/47/34/1184524734.db2.gz MQZNMWOQZNKMCI-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001480611907 1184558881 /nfs/dbraw/zinc/55/88/81/1184558881.db2.gz MRBPBGXQQSLHBL-JSGCOSHPSA-N 0 3 308.372 3.183 20 30 DGEDHN CCC(=CC(=O)NCC[C@@H](C)NCc1ccccc1C#N)CC ZINC001480755880 1184599530 /nfs/dbraw/zinc/59/95/30/1184599530.db2.gz GAQQHYUJKROUGM-OAHLLOKOSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2nc(C)sc2C)C1 ZINC001480789418 1184608978 /nfs/dbraw/zinc/60/89/78/1184608978.db2.gz CTMQYHVXUBZDFZ-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001480799237 1184610985 /nfs/dbraw/zinc/61/09/85/1184610985.db2.gz REHVJCHGAUQIES-GOEBONIOSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001480805730 1184613341 /nfs/dbraw/zinc/61/33/41/1184613341.db2.gz WCNWJOGSUQGBQN-ZZFFKQLHSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(F)cc1Cl ZINC001480811047 1184614219 /nfs/dbraw/zinc/61/42/19/1184614219.db2.gz XFAPJTPTGLMTEP-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cncc(C)c1 ZINC001480818001 1184618368 /nfs/dbraw/zinc/61/83/68/1184618368.db2.gz IPVHAJNILFWSTR-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2ccccc2C)C1 ZINC001493016690 1184634240 /nfs/dbraw/zinc/63/42/40/1184634240.db2.gz PHAIEYQRTJWVHK-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN CCCc1ccc(CN2CCC[C@@H]2CNC(=O)C#CC2CC2)cc1 ZINC001493094883 1184648412 /nfs/dbraw/zinc/64/84/12/1184648412.db2.gz AMFZQMLOZCDMMV-HXUWFJFHSA-N 0 3 324.468 3.133 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(CCOCC)CCCC1 ZINC001493149410 1184658201 /nfs/dbraw/zinc/65/82/01/1184658201.db2.gz WOHPMAPOCIYYPX-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN([C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC001493357038 1184692740 /nfs/dbraw/zinc/69/27/40/1184692740.db2.gz MVURYXOMZGRYPY-OLZOCXBDSA-N 0 3 319.836 3.141 20 30 DGEDHN C=CCN(CCNC(=O)c1oc2ccc(F)cc2c1C)C1CC1 ZINC001493377881 1184697456 /nfs/dbraw/zinc/69/74/56/1184697456.db2.gz RNNOVUDYBBZMCG-UHFFFAOYSA-N 0 3 316.376 3.261 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)c(F)c1)c1ccccc1 ZINC001493894598 1184761119 /nfs/dbraw/zinc/76/11/19/1184761119.db2.gz LTDYLAOISALZFS-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(F)CCCCC1)c1ccccc1 ZINC001493900794 1184762587 /nfs/dbraw/zinc/76/25/87/1184762587.db2.gz KQFQLVBOTYDLQD-MRXNPFEDSA-N 0 3 304.409 3.292 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cccc(C)c2)C1 ZINC001493939864 1184770864 /nfs/dbraw/zinc/77/08/64/1184770864.db2.gz UUTKRLXCGCUXJV-SFHVURJKSA-N 0 3 300.446 3.498 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC2(C)CCCC2)C1 ZINC001493946194 1184772204 /nfs/dbraw/zinc/77/22/04/1184772204.db2.gz FPARGLOHELXGAO-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001493968012 1184778571 /nfs/dbraw/zinc/77/85/71/1184778571.db2.gz NTUFJBRINJVCDZ-KZNAEPCWSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccccc2c1 ZINC001494674862 1184903742 /nfs/dbraw/zinc/90/37/42/1184903742.db2.gz RSGBUGXCNSWWOZ-ROUUACIJSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001494718663 1184912942 /nfs/dbraw/zinc/91/29/42/1184912942.db2.gz DCOOOPAIBVNGOX-KRWDZBQOSA-N 0 3 300.446 3.152 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC001494754625 1184921436 /nfs/dbraw/zinc/92/14/36/1184921436.db2.gz CZFGVSOUUKSDME-BQHJZSHBSA-N 0 3 324.468 3.330 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC/C=C\c2ccccc2)C1 ZINC001494911211 1184960800 /nfs/dbraw/zinc/96/08/00/1184960800.db2.gz SVVUEDOHJMIWRC-DRHVUCGNSA-N 0 3 324.468 3.426 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)NCc1sccc1Cl ZINC001494951916 1184969021 /nfs/dbraw/zinc/96/90/21/1184969021.db2.gz UDZGXYVRWJDRAH-LLVKDONJSA-N 0 3 300.855 3.352 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)(C)C)NCc1cc(C)ccc1F ZINC001494985707 1184975978 /nfs/dbraw/zinc/97/59/78/1184975978.db2.gz RLOXQPYPCXZPAO-INIZCTEOSA-N 0 3 318.436 3.168 20 30 DGEDHN CC#CCCCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001495976074 1185119780 /nfs/dbraw/zinc/11/97/80/1185119780.db2.gz AOJRVCSYMSAWTP-UHFFFAOYSA-N 0 3 324.468 3.305 20 30 DGEDHN CC(C)CCC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001496521032 1185206148 /nfs/dbraw/zinc/20/61/48/1185206148.db2.gz BZFNHAFDGUGKMO-IBGZPJMESA-N 0 3 314.473 3.205 20 30 DGEDHN C/C(=C\C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C)C1CC1 ZINC001496530434 1185208608 /nfs/dbraw/zinc/20/86/08/1185208608.db2.gz IKQSQIBVKWZHKC-BBKFTCMMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)c(F)c1)C(C)C ZINC001496577129 1185214628 /nfs/dbraw/zinc/21/46/28/1185214628.db2.gz AKLYSYYUUVDCGL-HNNXBMFYSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)c(C)c1)C(C)C ZINC001496631519 1185222724 /nfs/dbraw/zinc/22/27/24/1185222724.db2.gz WHKBDSVRCDYUTQ-INIZCTEOSA-N 0 3 308.853 3.400 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(Cl)c1Cl ZINC001496828331 1185254716 /nfs/dbraw/zinc/25/47/16/1185254716.db2.gz FBQOTTOWPXMMAI-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1ncc(C)s1 ZINC001497198235 1185295309 /nfs/dbraw/zinc/29/53/09/1185295309.db2.gz VVPRQJCZZCIWQJ-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1sccc1C1CC1 ZINC001497314986 1185314370 /nfs/dbraw/zinc/31/43/70/1185314370.db2.gz PQWVOLFXSUWYFC-LLVKDONJSA-N 0 3 312.866 3.476 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001497423102 1185330623 /nfs/dbraw/zinc/33/06/23/1185330623.db2.gz FXGFVLSCGYTGBD-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN CCCC(C)(C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001497447567 1185334052 /nfs/dbraw/zinc/33/40/52/1185334052.db2.gz OLLSYVZYGIEQSQ-UHFFFAOYSA-N 0 3 321.490 3.384 20 30 DGEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C2=CCCCCC2)cc1 ZINC001497568046 1185355745 /nfs/dbraw/zinc/35/57/45/1185355745.db2.gz XRZVGRWTWZJIIQ-WAYWQWQTSA-N 0 3 323.440 3.211 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C/CNCc2ccc(F)cc2)CC1 ZINC001497676082 1185374378 /nfs/dbraw/zinc/37/43/78/1185374378.db2.gz WXXKIHSOIJHTDY-NSCUHMNNSA-N 0 3 316.420 3.334 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC001498265816 1185460177 /nfs/dbraw/zinc/46/01/77/1185460177.db2.gz GRRLGBVXUIOLHN-MRXNPFEDSA-N 0 3 312.457 3.304 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C(C)C)nc1CC ZINC001498385192 1185483490 /nfs/dbraw/zinc/48/34/90/1185483490.db2.gz HPZJYVLUHXXUJH-CQSZACIVSA-N 0 3 303.450 3.004 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H](C)CN(C)CC=C(C)C)c1ccccc1 ZINC001498458041 1185499312 /nfs/dbraw/zinc/49/93/12/1185499312.db2.gz QTJWNOVZSKOJLZ-WMZOPIPTSA-N 0 3 300.446 3.359 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001498541995 1185515072 /nfs/dbraw/zinc/51/50/72/1185515072.db2.gz PSEQXYYJZTXUTN-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCc2ncc(C)s2)CCC1 ZINC001498605753 1185522085 /nfs/dbraw/zinc/52/20/85/1185522085.db2.gz DAYLPSNJSAVNKB-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1ccc(Cl)cc1 ZINC001499029626 1185595354 /nfs/dbraw/zinc/59/53/54/1185595354.db2.gz KDZGTGNCAJKSHT-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001499048661 1185600759 /nfs/dbraw/zinc/60/07/59/1185600759.db2.gz QKGXPNBENAHCOC-PBHICJAKSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001499132415 1185616451 /nfs/dbraw/zinc/61/64/51/1185616451.db2.gz QKKNJGQIGHOPKV-ZWKOTPCHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001499124743 1185616817 /nfs/dbraw/zinc/61/68/17/1185616817.db2.gz PNGKWXVRTJZVQS-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCN1CC1CCC1)c1ccccc1 ZINC001499123849 1185617573 /nfs/dbraw/zinc/61/75/73/1185617573.db2.gz DAWPJAKVPHKNJI-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001499868076 1185709850 /nfs/dbraw/zinc/70/98/50/1185709850.db2.gz DHKFCGFGCCTNKH-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001499997544 1185729072 /nfs/dbraw/zinc/72/90/72/1185729072.db2.gz JUTWZEPGLCGNMJ-XYOKQWHBSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001500263247 1185765981 /nfs/dbraw/zinc/76/59/81/1185765981.db2.gz AQCLEVZHRBLKJI-KBXCAEBGSA-N 0 3 320.864 3.285 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001500511510 1185810337 /nfs/dbraw/zinc/81/03/37/1185810337.db2.gz DMQBMOJIPMPTOU-AJYBTWMASA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC(C)(C)C)c1ccccc1CC ZINC001501019761 1185857662 /nfs/dbraw/zinc/85/76/62/1185857662.db2.gz UVJCLMUONDBGSU-GOSISDBHSA-N 0 3 314.473 3.455 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001501402975 1185900814 /nfs/dbraw/zinc/90/08/14/1185900814.db2.gz BNFKPMXPBXIIPA-RCCFBDPRSA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C12CCC(CC1)C2 ZINC001501663092 1185917319 /nfs/dbraw/zinc/91/73/19/1185917319.db2.gz MQKURRPBQQEZHM-UHFFFAOYSA-N 0 3 324.468 3.338 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)CCC)cc1 ZINC001501673510 1185919760 /nfs/dbraw/zinc/91/97/60/1185919760.db2.gz PVECXOUHCCSYSS-JKSUJKDBSA-N 0 3 300.446 3.413 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)C(C)C)cc1 ZINC001501681273 1185920751 /nfs/dbraw/zinc/92/07/51/1185920751.db2.gz FTJCRCZREJMJJQ-JKSUJKDBSA-N 0 3 300.446 3.269 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)C(C)C)cc1 ZINC001501681272 1185921249 /nfs/dbraw/zinc/92/12/49/1185921249.db2.gz FTJCRCZREJMJJQ-HZPDHXFCSA-N 0 3 300.446 3.269 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ncccc2C)CCC1 ZINC001501997327 1185944946 /nfs/dbraw/zinc/94/49/46/1185944946.db2.gz GJHMUIXSBWLPDG-GOSISDBHSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)C[C@H]1C ZINC001503024450 1186036975 /nfs/dbraw/zinc/03/69/75/1186036975.db2.gz YGWXYDFGBZYTKQ-SJLPKXTDSA-N 0 3 306.494 3.297 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 ZINC001505440073 1186079715 /nfs/dbraw/zinc/07/97/15/1186079715.db2.gz LEZMTXAVDCJONE-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2cccc(F)c2o1 ZINC001505465974 1186089986 /nfs/dbraw/zinc/08/99/86/1186089986.db2.gz PLTBFOGUSYCTQY-AWEZNQCLSA-N 0 3 316.376 3.294 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1=CCCCCC1 ZINC001505592054 1186109841 /nfs/dbraw/zinc/10/98/41/1186109841.db2.gz RCDJEYYJBLVZEE-ROUUACIJSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ns1 ZINC001505613438 1186114090 /nfs/dbraw/zinc/11/40/90/1186114090.db2.gz IDUMIIIJVGTIEL-CHWSQXEVSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ns1 ZINC001505613439 1186114334 /nfs/dbraw/zinc/11/43/34/1186114334.db2.gz IDUMIIIJVGTIEL-OLZOCXBDSA-N 0 3 309.479 3.037 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001505670199 1186121403 /nfs/dbraw/zinc/12/14/03/1186121403.db2.gz BDOQCZHNDTVIOL-KBPBESRZSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccoc1Cl ZINC001505809848 1186142500 /nfs/dbraw/zinc/14/25/00/1186142500.db2.gz RQPSBTXBUDCLPC-UHFFFAOYSA-N 0 3 319.232 3.373 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001505995026 1186178330 /nfs/dbraw/zinc/17/83/30/1186178330.db2.gz QCIGJUYEIFGGRY-HNAYVOBHSA-N 0 3 313.445 3.097 20 30 DGEDHN CCCC[C@H](CNCc1cc(C)ccc1F)NC(=O)[C@@H](C)C#N ZINC001506538784 1186243066 /nfs/dbraw/zinc/24/30/66/1186243066.db2.gz FZJANMUAQTUTGX-GOEBONIOSA-N 0 3 319.424 3.058 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CN(CC2=CCCCC2)C1 ZINC001506646197 1186267082 /nfs/dbraw/zinc/26/70/82/1186267082.db2.gz VZQIEOQTLMAAEZ-MRXNPFEDSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001506648869 1186267800 /nfs/dbraw/zinc/26/78/00/1186267800.db2.gz GTDUUADSYDBZFN-MLGOLLRUSA-N 0 3 314.420 3.071 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001506658155 1186270554 /nfs/dbraw/zinc/27/05/54/1186270554.db2.gz DNWTVLIUAKQCLQ-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001506678905 1186273284 /nfs/dbraw/zinc/27/32/84/1186273284.db2.gz WRRPAAFKUFCUSA-CHWSQXEVSA-N 0 3 322.399 3.081 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001506869597 1186302113 /nfs/dbraw/zinc/30/21/13/1186302113.db2.gz ZZAKXFQQHIWWSH-CPLUKWAASA-N 0 3 318.505 3.108 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(F)c(F)c1 ZINC001506924137 1186313567 /nfs/dbraw/zinc/31/35/67/1186313567.db2.gz MDUBJRKAEKFCAF-NSHDSACASA-N 0 3 316.779 3.205 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001506938353 1186317703 /nfs/dbraw/zinc/31/77/03/1186317703.db2.gz PZFMLIJXMHZFKC-ZDUSSCGKSA-N 0 3 319.836 3.409 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc(F)c1F ZINC001506936020 1186318228 /nfs/dbraw/zinc/31/82/28/1186318228.db2.gz HBBTZIZLTXZTEZ-NSHDSACASA-N 0 3 316.779 3.205 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](CNCc1ccccn1)C1CC1 ZINC001507024180 1186342135 /nfs/dbraw/zinc/34/21/35/1186342135.db2.gz HFXBBASRMSQRHA-QGZVFWFLSA-N 0 3 315.461 3.011 20 30 DGEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C1CCCCC1 ZINC001507301302 1186384981 /nfs/dbraw/zinc/38/49/81/1186384981.db2.gz QVJALFHAJKVSJX-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2cc(C)ccc2F)C[C@@H]1C ZINC001507312766 1186387894 /nfs/dbraw/zinc/38/78/94/1186387894.db2.gz FTGBDCGDQVGXRV-DOTOQJQBSA-N 0 3 316.420 3.017 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccnc(Cl)c2)C[C@@H]1C ZINC001507316798 1186388055 /nfs/dbraw/zinc/38/80/55/1186388055.db2.gz DQSJFBIEJNTNDE-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001507322664 1186389654 /nfs/dbraw/zinc/38/96/54/1186389654.db2.gz UEWDDBRDCKUMNX-GOEBONIOSA-N 0 3 304.459 3.021 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CC)Cc3ccccc3)CCC[C@H]12 ZINC001507350681 1186400392 /nfs/dbraw/zinc/40/03/92/1186400392.db2.gz PIBIKQOVQSGOTG-SVFBPWRDSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cc(C)no2)[C@H]1C ZINC001507368812 1186405641 /nfs/dbraw/zinc/40/56/41/1186405641.db2.gz NKDMYTQYFBBUCK-CVEARBPZSA-N 0 3 319.449 3.312 20 30 DGEDHN CC/C(C)=C\C(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001507431076 1186428134 /nfs/dbraw/zinc/42/81/34/1186428134.db2.gz KBMFFMYVNFFQOR-RBAUTDOXSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2ccncc2s1)C(C)C ZINC001507792584 1186444525 /nfs/dbraw/zinc/44/45/25/1186444525.db2.gz GDCFPNKOKWPCBT-UHFFFAOYSA-N 0 3 317.458 3.265 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1oc(CCC)nc1C)C(C)C ZINC001507854836 1186450941 /nfs/dbraw/zinc/45/09/41/1186450941.db2.gz MITAURHSSMZRFZ-UHFFFAOYSA-N 0 3 321.465 3.294 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](CC)CCCC)CC1 ZINC001508075523 1186477984 /nfs/dbraw/zinc/47/79/84/1186477984.db2.gz FTHDIDYUVNECLK-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(CC)CC)CC[C@H]1C(F)(F)F ZINC001508084368 1186478732 /nfs/dbraw/zinc/47/87/32/1186478732.db2.gz HENKKLNADAFAQJ-KGLIPLIRSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](CC)CCCC)CC2)CC1 ZINC001508158565 1186486078 /nfs/dbraw/zinc/48/60/78/1186486078.db2.gz NNRJPFDCDSDMIR-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2ccc(CC)cc2)CC1 ZINC001508231643 1186491765 /nfs/dbraw/zinc/49/17/65/1186491765.db2.gz QCWHVROWRSAXNU-UHFFFAOYSA-N 0 3 312.457 3.116 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1nc(Br)ccc1C#N ZINC001515878398 1186773211 /nfs/dbraw/zinc/77/32/11/1186773211.db2.gz TZEMQOFOBUTPSA-LLVKDONJSA-N 0 3 323.238 3.000 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001517122973 1186803002 /nfs/dbraw/zinc/80/30/02/1186803002.db2.gz KRJFPYIEWGCCJG-GHMZBOCLSA-N 0 3 317.776 3.352 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(Cl)c(F)c1 ZINC001520035384 1186912110 /nfs/dbraw/zinc/91/21/10/1186912110.db2.gz BIKZJUZJKPPQCS-LLVKDONJSA-N 0 3 305.740 3.114 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C2CC2)cc1F ZINC001612354109 1193450768 /nfs/dbraw/zinc/45/07/68/1193450768.db2.gz ZWOHXPKVIQZTAW-ZDUSSCGKSA-N 0 3 318.352 3.034 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1nc2ccccc2n1C(C)C ZINC001522010263 1187061489 /nfs/dbraw/zinc/06/14/89/1187061489.db2.gz OKGSRSRVPYTGPM-ZDUSSCGKSA-N 0 3 300.406 3.239 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC001522731249 1187098446 /nfs/dbraw/zinc/09/84/46/1187098446.db2.gz AUKUALGOLAMFIW-MRXNPFEDSA-N 0 3 318.461 3.188 20 30 DGEDHN N#CC(C(=O)C[C@@H]1C=CCC1)c1nccn1Cc1ccccc1 ZINC001524677719 1187259527 /nfs/dbraw/zinc/25/95/27/1187259527.db2.gz NENKZTHWRWPLMP-WBVHZDCISA-N 0 3 305.381 3.464 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC001526587364 1187375753 /nfs/dbraw/zinc/37/57/53/1187375753.db2.gz NLCYHYZIGATTJO-WRWORJQWSA-N 0 3 320.607 3.224 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC001526587363 1187376705 /nfs/dbraw/zinc/37/67/05/1187376705.db2.gz NLCYHYZIGATTJO-RDDDGLTNSA-N 0 3 320.607 3.224 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCc2ccccc2C1 ZINC001526586919 1187376861 /nfs/dbraw/zinc/37/68/61/1187376861.db2.gz GWHZDPASFZNUHT-UONOGXRCSA-N 0 3 313.788 3.055 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001526593846 1187377348 /nfs/dbraw/zinc/37/73/48/1187377348.db2.gz JTHWLIRJGAHSAN-GRYCIOLGSA-N 0 3 313.323 3.448 20 30 DGEDHN CC(C)C[C@@H](C)OCCC(=O)C(C#N)c1ncc(F)cc1F ZINC001527021034 1187406902 /nfs/dbraw/zinc/40/69/02/1187406902.db2.gz XWJAXCKVDGEUEV-DGCLKSJQSA-N 0 3 310.344 3.377 20 30 DGEDHN C[C@H]1CCC[C@H](CCN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC001615163755 1193516430 /nfs/dbraw/zinc/51/64/30/1193516430.db2.gz DFBNHADCFCXBKZ-DLBZAZTESA-N 0 3 312.461 3.292 20 30 DGEDHN C#CCN(C(=O)/C=C(\CC)c1ccc(C)cc1)C1CCN(C)CC1 ZINC001536121471 1187988999 /nfs/dbraw/zinc/98/89/99/1187988999.db2.gz AIMOKNDSGHCUHP-FBMGVBCBSA-N 0 3 324.468 3.344 20 30 DGEDHN CN(C)[C@@H](CNC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 ZINC001538902979 1188168828 /nfs/dbraw/zinc/16/88/28/1188168828.db2.gz KKXFQGHQMJKTCX-OALUTQOASA-N 0 3 321.424 3.103 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)c1 ZINC001540549629 1188245102 /nfs/dbraw/zinc/24/51/02/1188245102.db2.gz SUWCMQJVDSLHNJ-UHFFFAOYSA-N 0 3 318.380 3.353 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccc(C)n2C)CC1 ZINC001566695941 1188949123 /nfs/dbraw/zinc/94/91/23/1188949123.db2.gz LOIZIUYRDCEQJO-UHFFFAOYSA-N 0 3 317.477 3.226 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1CCc2ccccc2C1 ZINC001556466177 1189002258 /nfs/dbraw/zinc/00/22/58/1189002258.db2.gz LXEORYVLSHFDCK-KRWDZBQOSA-N 0 3 314.473 3.148 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC(C)(C)CC(F)(F)F ZINC001556466767 1189002902 /nfs/dbraw/zinc/00/29/02/1189002902.db2.gz LRTPBNFKGYDNLC-UHFFFAOYSA-N 0 3 308.388 3.321 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001565869988 1189047493 /nfs/dbraw/zinc/04/74/93/1189047493.db2.gz FVSICULYBCKPGS-CTYIDZIISA-N 0 3 304.409 3.022 20 30 DGEDHN C=CCN1CC[C@H](N(C)CCCCc2cccc(Cl)c2)C1=O ZINC001559792553 1189242417 /nfs/dbraw/zinc/24/24/17/1189242417.db2.gz MOBWYQVCKBQAAS-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC001559939059 1189259128 /nfs/dbraw/zinc/25/91/28/1189259128.db2.gz FXQDECFBFDWRAI-QAPCUYQASA-N 0 3 314.404 3.056 20 30 DGEDHN C=CCN(CC(=O)N[C@H](C)Cc1c(F)cccc1F)C(C)(C)C ZINC001560006070 1189268770 /nfs/dbraw/zinc/26/87/70/1189268770.db2.gz SXOJMFOZPBBVKP-CYBMUJFWSA-N 0 3 324.415 3.299 20 30 DGEDHN C=CC[C@H]1CCN(CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC001560026973 1189270360 /nfs/dbraw/zinc/27/03/60/1189270360.db2.gz MLFUZMDTKDNFHX-JXFKEZNVSA-N 0 3 312.457 3.460 20 30 DGEDHN CN(C)c1cccc(CN(C)Cc2cc(C#N)ccc2N(C)C)c1 ZINC001560675733 1189359650 /nfs/dbraw/zinc/35/96/50/1189359650.db2.gz LTVDSGNHOYJXRC-UHFFFAOYSA-N 0 3 322.456 3.322 20 30 DGEDHN CC1(C)CN(Cc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC001560684383 1189360554 /nfs/dbraw/zinc/36/05/54/1189360554.db2.gz JQRRVTGHQDPOKB-UHFFFAOYSA-N 0 3 320.440 3.050 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001560701497 1189363293 /nfs/dbraw/zinc/36/32/93/1189363293.db2.gz AQNARRJEUATHCD-KFWWJZLASA-N 0 3 309.454 3.256 20 30 DGEDHN Cc1cc(CN2CCN(C)C[C@H]2Cc2ccccc2)ccc1C#N ZINC001560917498 1189405639 /nfs/dbraw/zinc/40/56/39/1189405639.db2.gz PYIONJLWQXVWBK-OAQYLSRUSA-N 0 3 319.452 3.225 20 30 DGEDHN Cc1nc2c(cccc2CCNCc2cccc(F)c2C#N)o1 ZINC001560999665 1189418544 /nfs/dbraw/zinc/41/85/44/1189418544.db2.gz ANKFWQSFJPDQAC-UHFFFAOYSA-N 0 3 309.344 3.479 20 30 DGEDHN C#CCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)C(C)C ZINC001563459193 1189514734 /nfs/dbraw/zinc/51/47/34/1189514734.db2.gz KDKKIXFGUGPDPJ-INIZCTEOSA-N 0 3 321.490 3.184 20 30 DGEDHN C=CCCCN(CC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001563634127 1189524478 /nfs/dbraw/zinc/52/44/78/1189524478.db2.gz NHIFRUGDCYKCDL-GOSISDBHSA-N 0 3 317.477 3.157 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001564789258 1189597132 /nfs/dbraw/zinc/59/71/32/1189597132.db2.gz QWVZXXGQQCBYCO-GOSISDBHSA-N 0 3 315.461 3.307 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001565062311 1189617662 /nfs/dbraw/zinc/61/76/62/1189617662.db2.gz PBEGMERWVLPTJV-BZUAXINKSA-N 0 3 307.482 3.293 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001565820904 1189675519 /nfs/dbraw/zinc/67/55/19/1189675519.db2.gz FCUYXWGMIFXEKX-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CCc2ccccc2)C1 ZINC001565826445 1189679568 /nfs/dbraw/zinc/67/95/68/1189679568.db2.gz MLODMCWBLXNBAX-GOSISDBHSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](F)c1ccccc1 ZINC001565828453 1189680200 /nfs/dbraw/zinc/68/02/00/1189680200.db2.gz ONTYZPQECKCZHM-IRXDYDNUSA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1sccc1OC ZINC001565831890 1189681715 /nfs/dbraw/zinc/68/17/15/1189681715.db2.gz PUZFPTBJIUTQNR-KGLIPLIRSA-N 0 3 322.474 3.258 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](CC)CCC)C2)CC1 ZINC001565921956 1189704791 /nfs/dbraw/zinc/70/47/91/1189704791.db2.gz LXNKRQVBVAMJEH-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCC3CCCC3)C(C)(C)[C@H]21 ZINC001565992935 1189710816 /nfs/dbraw/zinc/71/08/16/1189710816.db2.gz NEEUKGMDDNCIES-NEWSRXKRSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H]1CC ZINC001566013739 1189715901 /nfs/dbraw/zinc/71/59/01/1189715901.db2.gz IADIYHHLDUUBCJ-QWHCGFSZSA-N 0 3 306.372 3.264 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cccc(F)c2F)[C@H]1C ZINC001566117217 1189738285 /nfs/dbraw/zinc/73/82/85/1189738285.db2.gz KINUNBNRLUOHFD-CJNGLKHVSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)[C@@H](C)CC)C2 ZINC001566125904 1189741931 /nfs/dbraw/zinc/74/19/31/1189741931.db2.gz WOQXSNFAKAROFD-ZDUSSCGKSA-N 0 3 321.490 3.130 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001566126928 1189741939 /nfs/dbraw/zinc/74/19/39/1189741939.db2.gz FPGYNDVVBRLOHN-ZDUSSCGKSA-N 0 3 321.490 3.130 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CCCCC(C)C)CC(C)(C)C1 ZINC001566131864 1189744737 /nfs/dbraw/zinc/74/47/37/1189744737.db2.gz RFVSZQOSBKTYMH-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ncccc1C ZINC001566526017 1189791179 /nfs/dbraw/zinc/79/11/79/1189791179.db2.gz NPDUBXNPUZHRFB-LSDHHAIUSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC(F)(F)F ZINC001566526433 1189792005 /nfs/dbraw/zinc/79/20/05/1189792005.db2.gz SXECDGYJMOAWPI-WDEREUQCSA-N 0 3 312.763 3.051 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C[C@@H](CC)OC)C2)CCCC1 ZINC001566634916 1189840667 /nfs/dbraw/zinc/84/06/67/1189840667.db2.gz MFJRWSXWRJWADE-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)(C)CC(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001566703304 1189867250 /nfs/dbraw/zinc/86/72/50/1189867250.db2.gz RBPROELCWKPPLO-OAHLLOKOSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C1CC1)C1CC1 ZINC001566757827 1189893461 /nfs/dbraw/zinc/89/34/61/1189893461.db2.gz QNYMYVPHNUGKJT-OLMNPRSZSA-N 0 3 316.489 3.453 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001566873508 1189933266 /nfs/dbraw/zinc/93/32/66/1189933266.db2.gz HDTCJUANUPHEJR-ZDUSSCGKSA-N 0 3 306.372 3.123 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001566877316 1189934792 /nfs/dbraw/zinc/93/47/92/1189934792.db2.gz VDTGCBGMTCVGNE-LPHOPBHVSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC12CCC2 ZINC001567259401 1190099066 /nfs/dbraw/zinc/09/90/66/1190099066.db2.gz DPIZRVQIUOEATJ-GJZGRUSLSA-N 0 3 310.869 3.290 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)[C@H](C)c1ccc(Cl)cc1 ZINC001567332067 1190135856 /nfs/dbraw/zinc/13/58/56/1190135856.db2.gz UOCYOODRHMBWEU-OAHLLOKOSA-N 0 3 320.864 3.499 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCc1ccccc1Cl ZINC001567367417 1190154431 /nfs/dbraw/zinc/15/44/31/1190154431.db2.gz AIRFADRFLQVLFH-MRXNPFEDSA-N 0 3 320.864 3.429 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001567383187 1190164148 /nfs/dbraw/zinc/16/41/48/1190164148.db2.gz PIHYBEBPXQCICV-NVXWUHKLSA-N 0 3 324.424 3.140 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001567383186 1190164367 /nfs/dbraw/zinc/16/43/67/1190164367.db2.gz PIHYBEBPXQCICV-DOTOQJQBSA-N 0 3 324.424 3.140 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001567410099 1190177161 /nfs/dbraw/zinc/17/71/61/1190177161.db2.gz VHHUDRJNARIQKU-ROUUACIJSA-N 0 3 304.478 3.220 20 30 DGEDHN CCCN(CCNC(=O)CC1CCC1)Cc1ccc(C#N)cc1 ZINC001567423317 1190184102 /nfs/dbraw/zinc/18/41/02/1190184102.db2.gz MYWWCPFHAGBCME-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1sccc1C(F)F)C1CC1 ZINC001567454249 1190201752 /nfs/dbraw/zinc/20/17/52/1190201752.db2.gz ZTKHBDWXKGKEAQ-UHFFFAOYSA-N 0 3 314.401 3.456 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2ncsc2c1)C1CC1 ZINC001567454450 1190202556 /nfs/dbraw/zinc/20/25/56/1190202556.db2.gz ULEOFUXXNGBXCW-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1sccc1C)c1ccccc1 ZINC001567654474 1190238489 /nfs/dbraw/zinc/23/84/89/1190238489.db2.gz SFNARPWCJFJGAB-OAHLLOKOSA-N 0 3 300.427 3.303 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](F)CC)c1ccc(C(C)C)cc1 ZINC001567654344 1190238708 /nfs/dbraw/zinc/23/87/08/1190238708.db2.gz OXTGAVHZOBGCKC-ROUUACIJSA-N 0 3 318.436 3.328 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1conc1C(C)C)c1ccccc1 ZINC001567659850 1190241062 /nfs/dbraw/zinc/24/10/62/1190241062.db2.gz ODDBFTHTQDIMDN-INIZCTEOSA-N 0 3 313.401 3.045 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC)c1ccccc1 ZINC001567676560 1190245644 /nfs/dbraw/zinc/24/56/44/1190245644.db2.gz RPBSAGURDDPJHJ-CEXWTWQISA-N 0 3 312.457 3.432 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001567736997 1190279765 /nfs/dbraw/zinc/27/97/65/1190279765.db2.gz ZPXIDIVERACGFL-CLOOOTJHSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001567764521 1190291477 /nfs/dbraw/zinc/29/14/77/1190291477.db2.gz JMGRCYOSNOKVAE-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCC2CCCCC2)C1 ZINC001567769291 1190294092 /nfs/dbraw/zinc/29/40/92/1190294092.db2.gz VXFCKVCWPRSIKJ-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CCCc2cccc(F)c2)C1 ZINC001567830967 1190313582 /nfs/dbraw/zinc/31/35/82/1190313582.db2.gz CPGRZXXWUOSQBX-UHFFFAOYSA-N 0 3 318.436 3.163 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001567842109 1190318011 /nfs/dbraw/zinc/31/80/11/1190318011.db2.gz CNLVVNXZNQOIRQ-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001567910483 1190347752 /nfs/dbraw/zinc/34/77/52/1190347752.db2.gz IATOQJXDLKQMOW-LJQANCHMSA-N 0 3 324.468 3.256 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001567920637 1190352940 /nfs/dbraw/zinc/35/29/40/1190352940.db2.gz ISNFFVCQJUVNRW-FUHWJXTLSA-N 0 3 300.446 3.322 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cccc(C)c2)C1 ZINC001567942578 1190367194 /nfs/dbraw/zinc/36/71/94/1190367194.db2.gz PXDFEUBHCNLRNT-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN CC[C@@H](CNC(=O)/C=C/C(C)(C)C)NCC#Cc1ccccc1 ZINC001567952262 1190372482 /nfs/dbraw/zinc/37/24/82/1190372482.db2.gz GPKPCQSHPZYWRE-JKGDOXCYSA-N 0 3 312.457 3.125 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)N[C@H](C)c1ccccc1F ZINC001567958955 1190376189 /nfs/dbraw/zinc/37/61/89/1190376189.db2.gz VSPGPSLXUFTYBC-CABCVRRESA-N 0 3 304.409 3.031 20 30 DGEDHN CC[C@@H](CNC(=O)[C@@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001567983180 1190387477 /nfs/dbraw/zinc/38/74/77/1190387477.db2.gz VNIYQEQJYWMMIK-OALUTQOASA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2cccc(Cl)n2)CCCC1 ZINC001567995087 1190391896 /nfs/dbraw/zinc/39/18/96/1190391896.db2.gz DPGLEMSOIXZRRF-UHFFFAOYSA-N 0 3 321.852 3.220 20 30 DGEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)CC1(C)CC1)C1CC1 ZINC001568024809 1190401310 /nfs/dbraw/zinc/40/13/10/1190401310.db2.gz JSWBWIVIHYWXFR-NRFANRHFSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2occc2C(C)C)cc1 ZINC001568119555 1190426566 /nfs/dbraw/zinc/42/65/66/1190426566.db2.gz BTLFGBFKZUUWLH-UHFFFAOYSA-N 0 3 324.424 3.446 20 30 DGEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)C1CC=CC1 ZINC001568232664 1190456400 /nfs/dbraw/zinc/45/64/00/1190456400.db2.gz FFFITGITVZXLHX-UHFFFAOYSA-N 0 3 322.452 3.023 20 30 DGEDHN C=CCC1(C(=O)N2CCC3(CN(CC(=C)C)C3)CC2)CCC1 ZINC001568251262 1190462537 /nfs/dbraw/zinc/46/25/37/1190462537.db2.gz JAZDHZYOOJUJJL-UHFFFAOYSA-N 0 3 302.462 3.233 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)cc1F ZINC001568261077 1190466499 /nfs/dbraw/zinc/46/64/99/1190466499.db2.gz ZYPBFYRFXDEIPK-GFCCVEGCSA-N 0 3 312.816 3.382 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2ccnc(Cl)c2)C1 ZINC001568298715 1190478340 /nfs/dbraw/zinc/47/83/40/1190478340.db2.gz VUYLECYGHZHEDD-ZDUSSCGKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001568297987 1190478386 /nfs/dbraw/zinc/47/83/86/1190478386.db2.gz HHRMGUBWZLQOEZ-DYVFJYSZSA-N 0 3 323.868 3.274 20 30 DGEDHN CCCC(=O)N[C@H](CNCc1ccc(F)c(C#N)c1)CC(C)C ZINC001568324145 1190490182 /nfs/dbraw/zinc/49/01/82/1190490182.db2.gz JIDBYOQFOHVDCU-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001568485228 1190541349 /nfs/dbraw/zinc/54/13/49/1190541349.db2.gz NRQQBTFUSLEPAS-INIZCTEOSA-N 0 3 320.452 3.361 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001568493441 1190545462 /nfs/dbraw/zinc/54/54/62/1190545462.db2.gz TWMZKWRUDMQIGC-RBUKOAKNSA-N 0 3 314.473 3.319 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1nc(C)sc1C ZINC001568683669 1190578022 /nfs/dbraw/zinc/57/80/22/1190578022.db2.gz YLWKWWURRFBSGN-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(c2ccccc2F)CC1 ZINC001568694880 1190579186 /nfs/dbraw/zinc/57/91/86/1190579186.db2.gz PXMJCEIOHXLZFT-CYBMUJFWSA-N 0 3 324.827 3.094 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)c1ccccc1F ZINC001568691015 1190579423 /nfs/dbraw/zinc/57/94/23/1190579423.db2.gz YOKKPDWCHCAGGO-QWHCGFSZSA-N 0 3 312.816 3.166 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)CC1CCCC1 ZINC001568724231 1190583323 /nfs/dbraw/zinc/58/33/23/1190583323.db2.gz WSJZHPRKKPRTQG-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)C(C)(C)CC ZINC001568770995 1190587076 /nfs/dbraw/zinc/58/70/76/1190587076.db2.gz QYPHSOOHSLGQGJ-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001568899400 1190597487 /nfs/dbraw/zinc/59/74/87/1190597487.db2.gz YRZCJXFOAJOBHS-SREVYHEPSA-N 0 3 304.409 3.108 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1sc(C)nc1C ZINC001568914280 1190599145 /nfs/dbraw/zinc/59/91/45/1190599145.db2.gz VRWPHYMHTHFBJD-KBOKABMXSA-N 0 3 321.490 3.124 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001569112095 1190626927 /nfs/dbraw/zinc/62/69/27/1190626927.db2.gz GMBPHQXUEKNMRO-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC12CCCCC2 ZINC001569325370 1190666958 /nfs/dbraw/zinc/66/69/58/1190666958.db2.gz KEBARFZRYWMWOP-MDZDMXLPSA-N 0 3 323.440 3.048 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1CCCCc1ccccc1 ZINC001569368289 1190679039 /nfs/dbraw/zinc/67/90/39/1190679039.db2.gz XYUDHUIMQSLQOZ-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001569372538 1190681086 /nfs/dbraw/zinc/68/10/86/1190681086.db2.gz DHURYDOSYKASIH-INIZCTEOSA-N 0 3 302.462 3.114 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC[C@H](C)c1ccccc1 ZINC001569376739 1190683363 /nfs/dbraw/zinc/68/33/63/1190683363.db2.gz NPCHZVBEMVXKQP-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001569380615 1190685724 /nfs/dbraw/zinc/68/57/24/1190685724.db2.gz CMGWFPCKAZBWFJ-RYUDHWBXSA-N 0 3 312.360 3.376 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001569465384 1190703234 /nfs/dbraw/zinc/70/32/34/1190703234.db2.gz GDZXGKXIQYXGRN-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N1CCC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001569468906 1190704494 /nfs/dbraw/zinc/70/44/94/1190704494.db2.gz ZXUCHIKMSTXOGE-UHFFFAOYSA-N 0 3 318.383 3.220 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CCCCC(C)C)C2)C1 ZINC001569477811 1190705898 /nfs/dbraw/zinc/70/58/98/1190705898.db2.gz BXOHCADSITYWAL-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2oc(C)nc2C)C[C@@H]1C ZINC001569517037 1190712287 /nfs/dbraw/zinc/71/22/87/1190712287.db2.gz NTYKTJPITAPJFW-BBRMVZONSA-N 0 3 319.449 3.117 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001569573395 1190718936 /nfs/dbraw/zinc/71/89/36/1190718936.db2.gz QJFOTEJAZGWQCZ-FPLPWBNLSA-N 0 3 312.457 3.332 20 30 DGEDHN C#CCN(C(=O)CCC)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001569581225 1190719878 /nfs/dbraw/zinc/71/98/78/1190719878.db2.gz OYUWRTXJHVTIKB-XYOKQWHBSA-N 0 3 324.468 3.426 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001569639490 1190729364 /nfs/dbraw/zinc/72/93/64/1190729364.db2.gz VFARURUMGAUTMH-IBGZPJMESA-N 0 3 316.445 3.132 20 30 DGEDHN CC(C)C#CC(=O)N[C@@]1(C)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001569638228 1190729780 /nfs/dbraw/zinc/72/97/80/1190729780.db2.gz XBJNUXMWLJNHNA-NRFANRHFSA-N 0 3 324.468 3.304 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001569706730 1190744498 /nfs/dbraw/zinc/74/44/98/1190744498.db2.gz VVEOEUIHYHTYGK-HZPDHXFCSA-N 0 3 306.494 3.156 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2csc(C3CC3)n2)C1 ZINC001569725575 1190750261 /nfs/dbraw/zinc/75/02/61/1190750261.db2.gz BNTGREBZDCIFPI-KRWDZBQOSA-N 0 3 319.474 3.038 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001569726174 1190750311 /nfs/dbraw/zinc/75/03/11/1190750311.db2.gz MPGODBQACYAMOR-INIZCTEOSA-N 0 3 324.877 3.257 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001569726863 1190751404 /nfs/dbraw/zinc/75/14/04/1190751404.db2.gz VPPDDKQCOBANNB-HXUWFJFHSA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C/C=C\Cl)C3)CCC1 ZINC001569798816 1190755168 /nfs/dbraw/zinc/75/51/68/1190755168.db2.gz PHNRERNZWXSHKL-RCTJGAQTSA-N 0 3 322.880 3.454 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(C(F)F)CC1)c1ccccc1CC ZINC001569800506 1190755543 /nfs/dbraw/zinc/75/55/43/1190755543.db2.gz REXFANHCOHGRMO-OAHLLOKOSA-N 0 3 322.399 3.227 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccc[nH]1)c1ccccc1CC ZINC001569801172 1190755790 /nfs/dbraw/zinc/75/57/90/1190755790.db2.gz ZSEUMMGNAPCVKQ-GOSISDBHSA-N 0 3 311.429 3.214 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CCC1(F)F)c1ccccc1CC ZINC001569802343 1190756038 /nfs/dbraw/zinc/75/60/38/1190756038.db2.gz SUMYSKBTTQJDMJ-HZPDHXFCSA-N 0 3 322.399 3.227 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001569905620 1190771364 /nfs/dbraw/zinc/77/13/64/1190771364.db2.gz XTVFOGTXDNBRIW-MOPGFXCFSA-N 0 3 323.440 3.090 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001570026940 1190783414 /nfs/dbraw/zinc/78/34/14/1190783414.db2.gz OQHKODVZXIXSTO-LZQZEXGQSA-N 0 3 312.457 3.357 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2(CF)CCC2)cc1 ZINC001570033549 1190784967 /nfs/dbraw/zinc/78/49/67/1190784967.db2.gz WOZTXOKINYQBIV-OAHLLOKOSA-N 0 3 316.420 3.117 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(CC)CC)cc1 ZINC001570033689 1190785212 /nfs/dbraw/zinc/78/52/12/1190785212.db2.gz ZUYDTRIBKBUISE-OAHLLOKOSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2csc(C)n2)CC1 ZINC001570035682 1190785583 /nfs/dbraw/zinc/78/55/83/1190785583.db2.gz MXEZHLFFXGNUIZ-SHTZXODSSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001570114011 1190798424 /nfs/dbraw/zinc/79/84/24/1190798424.db2.gz PYHFNTJMJUYBEQ-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001570113928 1190798761 /nfs/dbraw/zinc/79/87/61/1190798761.db2.gz NLXVEDIYLKWVMX-CQSZACIVSA-N 0 3 306.475 3.479 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001570114010 1190798767 /nfs/dbraw/zinc/79/87/67/1190798767.db2.gz PYHFNTJMJUYBEQ-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2scnc2C)CCC1 ZINC001570113914 1190798876 /nfs/dbraw/zinc/79/88/76/1190798876.db2.gz MVEUJVZGUFOEFX-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001570220655 1190826147 /nfs/dbraw/zinc/82/61/47/1190826147.db2.gz VNELOSSFYJEFIC-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CCCC)C2 ZINC001570273456 1190834488 /nfs/dbraw/zinc/83/44/88/1190834488.db2.gz QLOXOXIEGDJRAH-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C[C@@H]1CN(C(=O)C2CCCCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001570329829 1190839014 /nfs/dbraw/zinc/83/90/14/1190839014.db2.gz IPGCESFMRMHTQP-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001570397519 1190852166 /nfs/dbraw/zinc/85/21/66/1190852166.db2.gz JWCDVCLIPKNRNM-IAGOWNOFSA-N 0 3 322.493 3.127 20 30 DGEDHN Cc1cc(CN2CC[C@H](NC(=O)C#CC(C)C)C[C@H]2C)cs1 ZINC001570434865 1190857494 /nfs/dbraw/zinc/85/74/94/1190857494.db2.gz PGOCTTRLUSUKHG-PBHICJAKSA-N 0 3 318.486 3.185 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1cc(C)cc(C)c1 ZINC001570471919 1190865900 /nfs/dbraw/zinc/86/59/00/1190865900.db2.gz KHEUXMXONIKVSI-INIZCTEOSA-N 0 3 322.880 3.473 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1sc(C2CC2)nc1C ZINC001570530306 1190876585 /nfs/dbraw/zinc/87/65/85/1190876585.db2.gz ITTGTITWPUGYNJ-CQSZACIVSA-N 0 3 319.474 3.051 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1sc(C(C)C)nc1C ZINC001570544717 1190883217 /nfs/dbraw/zinc/88/32/17/1190883217.db2.gz BWVLOPNTSJHMJA-AWEZNQCLSA-N 0 3 321.490 3.297 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001570591310 1190895656 /nfs/dbraw/zinc/89/56/56/1190895656.db2.gz XFHJJCFMJQBPGQ-STQMWFEESA-N 0 3 307.463 3.183 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570591308 1190896102 /nfs/dbraw/zinc/89/61/02/1190896102.db2.gz XFHJJCFMJQBPGQ-OLZOCXBDSA-N 0 3 307.463 3.183 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001570623534 1190904267 /nfs/dbraw/zinc/90/42/67/1190904267.db2.gz CDTVHKBOKXZGAS-NWDGAFQWSA-N 0 3 323.506 3.345 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC001570709551 1190925603 /nfs/dbraw/zinc/92/56/03/1190925603.db2.gz RETNSCYKHWBELL-AWEZNQCLSA-N 0 3 322.399 3.220 20 30 DGEDHN CC(C)CCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001570737754 1190938245 /nfs/dbraw/zinc/93/82/45/1190938245.db2.gz MDTSCNYNHQKPCU-MRXNPFEDSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001570749455 1190943092 /nfs/dbraw/zinc/94/30/92/1190943092.db2.gz VHNRJFIIEWXSDM-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2C(C)C)CCCCC1 ZINC001570804859 1190952428 /nfs/dbraw/zinc/95/24/28/1190952428.db2.gz ZLBVEBATMCBVGF-LSDHHAIUSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C)OCC ZINC001570896450 1190972098 /nfs/dbraw/zinc/97/20/98/1190972098.db2.gz CQNJKAUZDSDMAM-IRXDYDNUSA-N 0 3 322.493 3.151 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CCCC[C@H](C)CC)C(C)(C)C1 ZINC001570897463 1190972532 /nfs/dbraw/zinc/97/25/32/1190972532.db2.gz RSSQHWIYOJZYOE-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CC2(C=C)CCCCC2)C(C)(C)C1 ZINC001570905445 1190974275 /nfs/dbraw/zinc/97/42/75/1190974275.db2.gz SZIVXWZWDBHFEI-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1csc(Cl)n1 ZINC001571320517 1190991312 /nfs/dbraw/zinc/99/13/12/1190991312.db2.gz ATUQJTWBHUTFDP-VIFPVBQESA-N 0 3 322.261 3.037 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001571314542 1190991676 /nfs/dbraw/zinc/99/16/76/1190991676.db2.gz KGRCFUAEZQJHQH-UAGQMJEPSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(F)cc(F)c1 ZINC001571325241 1190992430 /nfs/dbraw/zinc/99/24/30/1190992430.db2.gz WWCINBPNSPSSAZ-NSHDSACASA-N 0 3 316.779 3.205 20 30 DGEDHN C=C[C@H](CC(=O)N1CCC(N(C)CCF)CC1)c1ccccc1 ZINC001571335904 1190996803 /nfs/dbraw/zinc/99/68/03/1190996803.db2.gz BHOXFEDHOXYHFH-MRXNPFEDSA-N 0 3 318.436 3.239 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001571366125 1191003194 /nfs/dbraw/zinc/00/31/94/1191003194.db2.gz JAXMTTAWLNBZEA-IBGZPJMESA-N 0 3 324.468 3.077 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1csc2cc(C)ccc12 ZINC001571389590 1191011696 /nfs/dbraw/zinc/01/16/96/1191011696.db2.gz PBZXDWKARJXHGG-CQSZACIVSA-N 0 3 314.454 3.283 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001571402088 1191015405 /nfs/dbraw/zinc/01/54/05/1191015405.db2.gz PMBAGMAGXOCXMQ-ZWKOTPCHSA-N 0 3 312.457 3.077 20 30 DGEDHN C[C@@H](CN(C)C(=O)CCC1(C)CC1)NCc1ccc(C#N)s1 ZINC001571411622 1191018336 /nfs/dbraw/zinc/01/83/36/1191018336.db2.gz HHLSPXGHDQMEDD-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C1CCCCC1 ZINC001571449391 1191021962 /nfs/dbraw/zinc/02/19/62/1191021962.db2.gz MRPSUSXYAIEOJH-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001571476989 1191027298 /nfs/dbraw/zinc/02/72/98/1191027298.db2.gz LLVGKSNAZNMYGV-WBVHZDCISA-N 0 3 324.424 3.171 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001571479313 1191027921 /nfs/dbraw/zinc/02/79/21/1191027921.db2.gz OPAKOWKPTUDYIT-SUMWQHHRSA-N 0 3 322.399 3.400 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H](C)CC(C)C)CCC[C@@H]12 ZINC001571505757 1191035388 /nfs/dbraw/zinc/03/53/88/1191035388.db2.gz WEKJDLAHLROUSN-YQVWRLOYSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN(CCOC)[C@@H]2C)CCCCC1 ZINC001571522263 1191041331 /nfs/dbraw/zinc/04/13/31/1191041331.db2.gz CLOVZWJZVQXSTR-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNCc2csc(C)n2)C1 ZINC001571535808 1191046405 /nfs/dbraw/zinc/04/64/05/1191046405.db2.gz HBIXEOHZLDIJIK-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCCC(F)(F)F)C(C)C ZINC001571614578 1191061530 /nfs/dbraw/zinc/06/15/30/1191061530.db2.gz LVERXVHLYJAFSY-UHFFFAOYSA-N 0 3 308.388 3.464 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@H]1CCC[C@H](C)C1)C(C)C ZINC001571615082 1191061794 /nfs/dbraw/zinc/06/17/94/1191061794.db2.gz FHDRAKSKGYAJFN-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@@H]1CCCC[C@H]1C)C(C)C ZINC001571615612 1191062973 /nfs/dbraw/zinc/06/29/73/1191062973.db2.gz XWIIWGPGBHTQIG-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(-c2nccs2)cc1 ZINC001574849336 1191453763 /nfs/dbraw/zinc/45/37/63/1191453763.db2.gz MKUMFCUUQCDGJC-CYBMUJFWSA-N 0 3 321.833 3.243 20 30 DGEDHN C=CC[C@@H](C(=O)Nc1ccnc([C@H]2CCCN2)n1)c1ccccc1 ZINC001574889978 1191455600 /nfs/dbraw/zinc/45/56/00/1191455600.db2.gz VNDICVKYOHHVMH-HZPDHXFCSA-N 0 3 322.412 3.200 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC001574903020 1191457499 /nfs/dbraw/zinc/45/74/99/1191457499.db2.gz JUBNSLHRWCYVKC-VBNZEHGJSA-N 0 3 324.852 3.216 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)CSc1ccccc1 ZINC001574901453 1191458003 /nfs/dbraw/zinc/45/80/03/1191458003.db2.gz IAXRIRGWJGCZPI-ZBFHGGJFSA-N 0 3 306.475 3.309 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC001574903495 1191458059 /nfs/dbraw/zinc/45/80/59/1191458059.db2.gz SHQYOIAFZBIOLH-JQHSSLGASA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC001574902598 1191458089 /nfs/dbraw/zinc/45/80/89/1191458089.db2.gz CXTARPWECGFFTR-RKDXNWHRSA-N 0 3 321.368 3.023 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001574961932 1191459667 /nfs/dbraw/zinc/45/96/67/1191459667.db2.gz BKFLLWXPPXSCHI-HUUCEWRRSA-N 0 3 324.346 3.110 20 30 DGEDHN CC(C)CC[C@@H](N)C(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC001575556307 1191492688 /nfs/dbraw/zinc/49/26/88/1191492688.db2.gz WXYGLNWXQOMOBJ-QGZVFWFLSA-N 0 3 301.434 3.311 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)CCc1ccccc1F ZINC001618813627 1193753353 /nfs/dbraw/zinc/75/33/53/1193753353.db2.gz KHXOTHMIMXRMPU-INIZCTEOSA-N 0 3 320.452 3.361 20 30 DGEDHN CCC[C@@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001620057488 1193763572 /nfs/dbraw/zinc/76/35/72/1193763572.db2.gz PGUQUBZKWKSFHN-OAHLLOKOSA-N 0 3 323.444 3.259 20 30 DGEDHN C[C@@H](NCCOc1ccccc1C#N)c1cc2cnccc2o1 ZINC001620528697 1193775920 /nfs/dbraw/zinc/77/59/20/1193775920.db2.gz QUFINPKAADWYJF-CYBMUJFWSA-N 0 3 307.353 3.429 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1cc2cnccc2o1 ZINC001620528660 1193776001 /nfs/dbraw/zinc/77/60/01/1193776001.db2.gz QAHXRPCGXPNTEX-MLGOLLRUSA-N 0 3 307.353 3.084 20 30 DGEDHN C[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1cc2cnccc2o1 ZINC001620528658 1193776048 /nfs/dbraw/zinc/77/60/48/1193776048.db2.gz QAHXRPCGXPNTEX-BLLLJJGKSA-N 0 3 307.353 3.084 20 30 DGEDHN CC(C)(C)[C@@H]1CSCCN1CCOc1ccccc1C#N ZINC001620533826 1193776912 /nfs/dbraw/zinc/77/69/12/1193776912.db2.gz AVGVDIGLWDTQRT-INIZCTEOSA-N 0 3 304.459 3.401 20 30 DGEDHN COC(=O)c1ccc([C@H]2CCCCN2CCCCC#N)n1C ZINC001620672213 1193789292 /nfs/dbraw/zinc/78/92/92/1193789292.db2.gz BKXZNCSTELGRMB-OAHLLOKOSA-N 0 3 303.406 3.033 20 30 DGEDHN C#CCCOC(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001622484135 1193902183 /nfs/dbraw/zinc/90/21/83/1193902183.db2.gz PRALOXINCWJQJW-GOSISDBHSA-N 0 3 314.429 3.133 20 30 DGEDHN C=C(CC(C)C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001622703809 1193910119 /nfs/dbraw/zinc/91/01/19/1193910119.db2.gz MNYZNORAEMEJLN-GOSISDBHSA-N 0 3 300.446 3.322 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)cc2ccccc21 ZINC001624932923 1194022986 /nfs/dbraw/zinc/02/29/86/1194022986.db2.gz JFGXDERWFLGHFO-UHFFFAOYSA-N 0 3 309.413 3.225 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001626744302 1194092905 /nfs/dbraw/zinc/09/29/05/1194092905.db2.gz CLOXJKXFNLMWDJ-KBPBESRZSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC001630120850 1194270242 /nfs/dbraw/zinc/27/02/42/1194270242.db2.gz YBRLZRHEPFTBSW-UHFFFAOYSA-N 0 3 303.450 3.020 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001634640987 1194506263 /nfs/dbraw/zinc/50/62/63/1194506263.db2.gz RKXWDEZXLXZSGR-UHFFFAOYSA-N 0 3 316.489 3.493 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001635757613 1194570132 /nfs/dbraw/zinc/57/01/32/1194570132.db2.gz FDEVQMMHOQWXOS-CQSZACIVSA-N 0 3 308.853 3.410 20 30 DGEDHN C=C(CC)CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001638020469 1194698102 /nfs/dbraw/zinc/69/81/02/1194698102.db2.gz QGEUUJFSSQQCNN-KRWDZBQOSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001640233344 1194802978 /nfs/dbraw/zinc/80/29/78/1194802978.db2.gz UBSCJDIGBMBZCX-DHZHZOJOSA-N 0 3 324.468 3.446 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@](O)(CC)C(F)(F)F ZINC001641516935 1194858623 /nfs/dbraw/zinc/85/86/23/1194858623.db2.gz YXLLJMASUJYQQO-OAHLLOKOSA-N 0 3 314.351 3.474 20 30 DGEDHN CCc1ccc(N2CCN(CCc3ccc(C#N)cc3)CC2)cc1 ZINC001641928981 1194879295 /nfs/dbraw/zinc/87/92/95/1194879295.db2.gz HULYHDCXKFNRCM-UHFFFAOYSA-N 0 3 319.452 3.485 20 30 DGEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H]1C ZINC001643487514 1195029232 /nfs/dbraw/zinc/02/92/32/1195029232.db2.gz XBEFOWNAVWCVJE-WOPDTQHZSA-N 0 3 305.809 3.126 20 30 DGEDHN N#CC[C@H]1CCCN(CCc2cccc3c2OC(F)(F)O3)C1 ZINC001643796651 1195054226 /nfs/dbraw/zinc/05/42/26/1195054226.db2.gz RXJXNFPEQSKDOP-GFCCVEGCSA-N 0 3 308.328 3.176 20 30 DGEDHN C=CCN(CC(=O)NCCCOc1cccc(C)c1)C(C)(C)C ZINC001643856798 1195058980 /nfs/dbraw/zinc/05/89/80/1195058980.db2.gz BKJBBIQWLYUDFP-UHFFFAOYSA-N 0 3 318.461 3.167 20 30 DGEDHN N#CCc1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001644291876 1195096216 /nfs/dbraw/zinc/09/62/16/1195096216.db2.gz QYZCZMYIYJLJAE-FQEVSTJZSA-N 0 3 316.408 3.480 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001645451877 1195185117 /nfs/dbraw/zinc/18/51/17/1195185117.db2.gz ZGIOCQYZLICGOO-UHFFFAOYSA-N 0 3 311.813 3.188 20 30 DGEDHN COc1ccc(C)cc1[C@@H](C)NC[C@H](O)c1cccc(C#N)c1 ZINC001646080631 1195213185 /nfs/dbraw/zinc/21/31/85/1195213185.db2.gz PAEWHYYRRJVTPS-KDOFPFPSSA-N 0 3 310.397 3.260 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC001646392873 1195226971 /nfs/dbraw/zinc/22/69/71/1195226971.db2.gz QWAYJTNLYSCHLJ-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC001646719383 1195236584 /nfs/dbraw/zinc/23/65/84/1195236584.db2.gz NNCHSOCVKZGMHH-NRFANRHFSA-N 0 3 319.452 3.225 20 30 DGEDHN C/C=C/C[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001647921335 1195264917 /nfs/dbraw/zinc/26/49/17/1195264917.db2.gz RIZLKLBCJFGNMR-LHZYAQQZSA-N 0 3 323.440 3.342 20 30 DGEDHN C=CCC[C@H]1CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001648528883 1195307783 /nfs/dbraw/zinc/30/77/83/1195307783.db2.gz TZKLHIJBDAIZKF-HNNXBMFYSA-N 0 3 318.373 3.312 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc(-n3ccnc3)nc2)c1 ZINC001648757538 1195329072 /nfs/dbraw/zinc/32/90/72/1195329072.db2.gz OAXNKHPJCLAPKX-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN Cc1cc(C#N)cc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC001651532210 1195476416 /nfs/dbraw/zinc/47/64/16/1195476416.db2.gz BNQMBZVGXXRTFT-MRXNPFEDSA-N 0 3 312.804 3.066 20 30 DGEDHN Cc1cccc(CN2CC[C@H](Nc3ncc(C#N)cc3F)C2)c1 ZINC001652090702 1195546125 /nfs/dbraw/zinc/54/61/25/1195546125.db2.gz NCSQYWSRDBWKSS-INIZCTEOSA-N 0 3 310.376 3.087 20 30 DGEDHN C#CCN(C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CSC1 ZINC001652989914 1195678408 /nfs/dbraw/zinc/67/84/08/1195678408.db2.gz WNOZTUFIMVVDGH-ZDUSSCGKSA-N 0 3 307.434 3.064 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 ZINC001653137375 1195691400 /nfs/dbraw/zinc/69/14/00/1195691400.db2.gz WVKWOUUNMZFBMF-LJQANCHMSA-N 0 3 316.408 3.011 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001653661799 1195741689 /nfs/dbraw/zinc/74/16/89/1195741689.db2.gz BQYPBPUXAQMBGV-NVXWUHKLSA-N 0 3 306.837 3.299 20 30 DGEDHN C#CCCOC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001653725565 1195746498 /nfs/dbraw/zinc/74/64/98/1195746498.db2.gz JMLZXIQRTILYJX-FUHWJXTLSA-N 0 3 314.429 3.304 20 30 DGEDHN CC(C)(NCc1ccc(-n2ccnc2)nc1)c1cccc(C#N)c1 ZINC001654207968 1195784160 /nfs/dbraw/zinc/78/41/60/1195784160.db2.gz KRYZLOWFWBEWQH-UHFFFAOYSA-N 0 3 317.396 3.164 20 30 DGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC12CC(C)(C1)OC2 ZINC001654427775 1195803507 /nfs/dbraw/zinc/80/35/07/1195803507.db2.gz JXNOLUZUHJVTIA-UHFFFAOYSA-N 0 3 303.450 3.411 20 30 DGEDHN C=CCN(C)CCN(CC)c1ncnc2sc3c(c21)CCC3 ZINC001655615211 1195940441 /nfs/dbraw/zinc/94/04/41/1195940441.db2.gz ZTOXVAKHHKLEOU-UHFFFAOYSA-N 0 3 316.474 3.124 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001655672443 1195948481 /nfs/dbraw/zinc/94/84/81/1195948481.db2.gz KPQQCCZEHYCIQI-LLVKDONJSA-N 0 3 308.407 3.060 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001656085525 1195996912 /nfs/dbraw/zinc/99/69/12/1195996912.db2.gz UPYDWSTYXJVJKH-AZUAARDMSA-N 0 3 324.468 3.400 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(F)ccc(C)c1F ZINC001656089315 1195997543 /nfs/dbraw/zinc/99/75/43/1195997543.db2.gz SMYDWWSOXZKLGB-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001656329698 1196030865 /nfs/dbraw/zinc/03/08/65/1196030865.db2.gz HEYITLXJMRGXPB-OWCLPIDISA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3cc(C)ccc3C)CC2)C1=O ZINC001656407519 1196037092 /nfs/dbraw/zinc/03/70/92/1196037092.db2.gz SQBDBOIDNANNKU-LJQANCHMSA-N 0 3 312.457 3.270 20 30 DGEDHN CC#CC[C@@H](CO)NCc1ccccc1OCc1ccccc1 ZINC001656545051 1196048582 /nfs/dbraw/zinc/04/85/82/1196048582.db2.gz IOBGAXQHHSXHOZ-IBGZPJMESA-N 0 3 309.409 3.130 20 30 DGEDHN Cc1oc(C(C)(C)C)cc1CNCCNc1ccc(C#N)cn1 ZINC001656725892 1196065585 /nfs/dbraw/zinc/06/55/85/1196065585.db2.gz CPCAAYUANKPCED-UHFFFAOYSA-N 0 3 312.417 3.354 20 30 DGEDHN C=CC[C@H]1CC[C@@H](NCc2cc(S(C)(=O)=O)ccc2F)C1 ZINC001657234772 1196121586 /nfs/dbraw/zinc/12/15/86/1196121586.db2.gz HNENZHDVLPNUTK-GXTWGEPZSA-N 0 3 311.422 3.064 20 30 DGEDHN C=CCC[C@H](CO)NCc1c(Cl)cc(Cl)cc1N(C)C ZINC001657956330 1196196543 /nfs/dbraw/zinc/19/65/43/1196196543.db2.gz XZIALEYWNRBGIY-GFCCVEGCSA-N 0 3 317.260 3.476 20 30 DGEDHN C#Cc1ccc(CNCc2cn(C)nc2-c2ccc(C)o2)cc1 ZINC001657994036 1196199899 /nfs/dbraw/zinc/19/98/99/1196199899.db2.gz YJCURAMGVSDKME-UHFFFAOYSA-N 0 3 305.381 3.260 20 30 DGEDHN CCOC(=O)C(CC)(CC)CNCc1ccc(C#N)cc1F ZINC001658672069 1196287163 /nfs/dbraw/zinc/28/71/63/1196287163.db2.gz CNEAUJBYCLCIIL-UHFFFAOYSA-N 0 3 306.381 3.156 20 30 DGEDHN CC[C@H]1CN(Cc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC001658774850 1196298265 /nfs/dbraw/zinc/29/82/65/1196298265.db2.gz LZVKGPNHLPALSG-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN C=CCCSCCNCc1sc(N(C)C)nc1Cl ZINC001660222464 1196459078 /nfs/dbraw/zinc/45/90/78/1196459078.db2.gz WMPSFKZIFIUTSN-UHFFFAOYSA-N 0 3 305.900 3.261 20 30 DGEDHN C#CCC1(NCC#Cc2ccc(OC(F)(F)F)cc2)CCC1 ZINC001660283599 1196466083 /nfs/dbraw/zinc/46/60/83/1196466083.db2.gz GLPVGWCWZNYJPT-UHFFFAOYSA-N 0 3 307.315 3.472 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCCC#CC ZINC001660447137 1196485432 /nfs/dbraw/zinc/48/54/32/1196485432.db2.gz NHCZRLCSQYJWIK-HZPDHXFCSA-N 0 3 310.869 3.292 20 30 DGEDHN Cc1cccc(OCCNCc2cc(C#N)ccc2N(C)C)c1 ZINC001660791333 1196524712 /nfs/dbraw/zinc/52/47/12/1196524712.db2.gz YUYGUALUQNWCEA-UHFFFAOYSA-N 0 3 309.413 3.101 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001660818786 1196529614 /nfs/dbraw/zinc/52/96/14/1196529614.db2.gz SCWHTAWXTAHCPL-LJQANCHMSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(CCC)cc2)C1 ZINC001660965791 1196548045 /nfs/dbraw/zinc/54/80/45/1196548045.db2.gz GJBWXRBXSKNVCG-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001661019631 1196554400 /nfs/dbraw/zinc/55/44/00/1196554400.db2.gz BYHYJFBUZXZFFC-AEFFLSMTSA-N 0 3 320.502 3.474 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cnoc2CC)C1 ZINC001661024620 1196555131 /nfs/dbraw/zinc/55/51/31/1196555131.db2.gz UPWGIIOSOJNSTM-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccc(C)s2)CC1 ZINC001661097205 1196565800 /nfs/dbraw/zinc/56/58/00/1196565800.db2.gz KOPWZBPGPCIDHZ-UHFFFAOYSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1scnc1C)C1CC1 ZINC001661172943 1196576203 /nfs/dbraw/zinc/57/62/03/1196576203.db2.gz VSHXCQRXDKRZJQ-AWEZNQCLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001661257676 1196589383 /nfs/dbraw/zinc/58/93/83/1196589383.db2.gz LCXDDUYDFDTBMG-ZKXLYKBJSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001661290860 1196591606 /nfs/dbraw/zinc/59/16/06/1196591606.db2.gz DGDQQFDTKRSORE-GUYCJALGSA-N 0 3 320.383 3.109 20 30 DGEDHN CCCC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001661303866 1196592560 /nfs/dbraw/zinc/59/25/60/1196592560.db2.gz CMYAKOWUOOKJEP-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN C[C@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661467390 1196608297 /nfs/dbraw/zinc/60/82/97/1196608297.db2.gz DYYLAYLSGPHSJV-LEAZDLGRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001661496117 1196611743 /nfs/dbraw/zinc/61/17/43/1196611743.db2.gz NEYNCMLRRQWHKR-RBSFLKMASA-N 0 3 316.848 3.284 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001661673770 1196630120 /nfs/dbraw/zinc/63/01/20/1196630120.db2.gz INMQPKPWGAUBII-BNOWGMLFSA-N 0 3 300.874 3.438 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001661728966 1196636679 /nfs/dbraw/zinc/63/66/79/1196636679.db2.gz WFJQFUXWROLUTI-KRWDZBQOSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001661744469 1196640000 /nfs/dbraw/zinc/64/00/00/1196640000.db2.gz YEYCDBYSANXONV-RBUKOAKNSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1cncs1 ZINC001661943771 1196664659 /nfs/dbraw/zinc/66/46/59/1196664659.db2.gz SSMBQBRAZRBHLW-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2CCCCCC2)C1 ZINC001662010372 1196674673 /nfs/dbraw/zinc/67/46/73/1196674673.db2.gz LOOJLBNGXPHCBG-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001662302987 1196703920 /nfs/dbraw/zinc/70/39/20/1196703920.db2.gz GWNXMOJINSSQHJ-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](CCC)CC1CCCCC1 ZINC001662349688 1196711036 /nfs/dbraw/zinc/71/10/36/1196711036.db2.gz FREICFWCMMJSHT-AEFFLSMTSA-N 0 3 306.494 3.491 20 30 DGEDHN CC(C)CC(C)(C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001662384417 1196715139 /nfs/dbraw/zinc/71/51/39/1196715139.db2.gz XNUPWXXGZBQDEQ-ZDUSSCGKSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001662680163 1196739856 /nfs/dbraw/zinc/73/98/56/1196739856.db2.gz IUSJQAYBJXGDNP-YFBAIUBQSA-N 0 3 305.249 3.100 20 30 DGEDHN CCC(CC)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001662892750 1196769398 /nfs/dbraw/zinc/76/93/98/1196769398.db2.gz HSIGMPUOKZWAKM-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H]1CCCC1(F)F ZINC001662964472 1196778078 /nfs/dbraw/zinc/77/80/78/1196778078.db2.gz HPBAUJNNBXNUKY-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@@H](C)NCc2ncc(C)s2)CC1 ZINC001662970744 1196778091 /nfs/dbraw/zinc/77/80/91/1196778091.db2.gz MRLRUOSZTGUHNJ-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001663331939 1196837260 /nfs/dbraw/zinc/83/72/60/1196837260.db2.gz QVNKRSDXFWPXRB-WMZOPIPTSA-N 0 3 302.462 3.440 20 30 DGEDHN CCOC(OCC)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC001663514014 1196891677 /nfs/dbraw/zinc/89/16/77/1196891677.db2.gz LDPPEQAERFAQLJ-AWEZNQCLSA-N 0 3 304.434 3.365 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001663528551 1196895963 /nfs/dbraw/zinc/89/59/63/1196895963.db2.gz QKXYAWFLZCMCBN-ZWKOTPCHSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001663554322 1196903296 /nfs/dbraw/zinc/90/32/96/1196903296.db2.gz ZXTMSPVVFOQCSH-YOEHRIQHSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663608356 1196913067 /nfs/dbraw/zinc/91/30/67/1196913067.db2.gz KBRGCTJCUFBIIV-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCN([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC001663710034 1196932416 /nfs/dbraw/zinc/93/24/16/1196932416.db2.gz CWHDVJCMBUXRQT-STQMWFEESA-N 0 3 319.836 3.141 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@]1(C)CCc2ccccc21)C1CC1 ZINC001663777030 1196944998 /nfs/dbraw/zinc/94/49/98/1196944998.db2.gz DXTHNCCIHHMKJZ-HXUWFJFHSA-N 0 3 312.457 3.047 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN[C@H](C)c2ccccc2F)C1 ZINC001664172978 1196977160 /nfs/dbraw/zinc/97/71/60/1196977160.db2.gz BQGGQKXTVUUFBB-CQSZACIVSA-N 0 3 304.409 3.291 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC001664566737 1197015002 /nfs/dbraw/zinc/01/50/02/1197015002.db2.gz JCBVORCVPTVOGT-SFHVURJKSA-N 0 3 312.388 3.463 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc(C)nc(C)c1)c1ccccc1 ZINC001664578683 1197016531 /nfs/dbraw/zinc/01/65/31/1197016531.db2.gz RWEKBFAAWQXPJF-IBGZPJMESA-N 0 3 323.440 3.335 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)cc1F)c1ccccc1 ZINC001664592338 1197019247 /nfs/dbraw/zinc/01/92/47/1197019247.db2.gz IOKLVYYQSVWKGI-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(c2ccccc2)CC1)c1ccccc1 ZINC001664599185 1197019484 /nfs/dbraw/zinc/01/94/84/1197019484.db2.gz PHUSBIABVKWZMQ-LJQANCHMSA-N 0 3 320.436 3.351 20 30 DGEDHN CCCN(C(=O)C#CC(C)C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001664661128 1197029305 /nfs/dbraw/zinc/02/93/05/1197029305.db2.gz DKLZQSQBQYPVSS-LJQANCHMSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@@H]2CCN([C@@H](C)COC)C2)CC1 ZINC001664678896 1197032069 /nfs/dbraw/zinc/03/20/69/1197032069.db2.gz RBQIBWBFWRHNEG-FUHWJXTLSA-N 0 3 322.493 3.081 20 30 DGEDHN CC/C=C(/C)C(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001664700501 1197039904 /nfs/dbraw/zinc/03/99/04/1197039904.db2.gz KNPTXHVAIKSCPG-RTXJXEIKSA-N 0 3 324.468 3.223 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001664825369 1197063985 /nfs/dbraw/zinc/06/39/85/1197063985.db2.gz ZCQWOYHHGSESDC-IBGZPJMESA-N 0 3 324.468 3.009 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001664990163 1197085363 /nfs/dbraw/zinc/08/53/63/1197085363.db2.gz UQTFZNIVSPNEIA-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCCN1[O-] ZINC001665140937 1197101942 /nfs/dbraw/zinc/10/19/42/1197101942.db2.gz OKVZTSKVLSCQJK-CWRNSKLLSA-N 0 3 322.836 3.336 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCCN1[O-] ZINC001665140941 1197102291 /nfs/dbraw/zinc/10/22/91/1197102291.db2.gz OKVZTSKVLSCQJK-NUEKZKHPSA-N 0 3 322.836 3.336 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C/c1ccco1 ZINC001665367790 1197128879 /nfs/dbraw/zinc/12/88/79/1197128879.db2.gz WQPJCWFOVZUQJE-RJCHQFKYSA-N 0 3 314.429 3.324 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F ZINC001665397017 1197132075 /nfs/dbraw/zinc/13/20/75/1197132075.db2.gz VBZZBUIQVZFKDW-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CC(F)(F)F ZINC001665424888 1197135203 /nfs/dbraw/zinc/13/52/03/1197135203.db2.gz BCVDJAREHVFOJP-IHRRRGAJSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C(F)(F)F ZINC001665428882 1197136600 /nfs/dbraw/zinc/13/66/00/1197136600.db2.gz KXJWOJPUMIWKSV-STQMWFEESA-N 0 3 318.383 3.216 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001665627544 1197161551 /nfs/dbraw/zinc/16/15/51/1197161551.db2.gz SYWXZSHTLAGKPA-LJQANCHMSA-N 0 3 312.457 3.085 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001665627543 1197161569 /nfs/dbraw/zinc/16/15/69/1197161569.db2.gz SYWXZSHTLAGKPA-IBGZPJMESA-N 0 3 312.457 3.085 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665653929 1197164979 /nfs/dbraw/zinc/16/49/79/1197164979.db2.gz VPBPJFABHVQFFX-KRWDZBQOSA-N 0 3 300.446 3.240 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001665652230 1197165032 /nfs/dbraw/zinc/16/50/32/1197165032.db2.gz BLLUGRKJSYUHTR-QGZVFWFLSA-N 0 3 300.446 3.240 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001665686854 1197172250 /nfs/dbraw/zinc/17/22/50/1197172250.db2.gz RQMGMUPZKJQTME-PKOBYXMFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001665686853 1197172381 /nfs/dbraw/zinc/17/23/81/1197172381.db2.gz RQMGMUPZKJQTME-MJGOQNOKSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696686 1197174253 /nfs/dbraw/zinc/17/42/53/1197174253.db2.gz CFFPFNOGMVKOHR-CVEARBPZSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696686 1197174259 /nfs/dbraw/zinc/17/42/59/1197174259.db2.gz CFFPFNOGMVKOHR-CVEARBPZSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001665727045 1197181572 /nfs/dbraw/zinc/18/15/72/1197181572.db2.gz WAYOYWVVGRSKGV-INIZCTEOSA-N 0 3 322.399 3.276 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC001666074292 1197233751 /nfs/dbraw/zinc/23/37/51/1197233751.db2.gz RDANPSPPZZOBOZ-AWEZNQCLSA-N 0 3 324.827 3.410 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C/Cl)CC1 ZINC001666274675 1197247491 /nfs/dbraw/zinc/24/74/91/1197247491.db2.gz HFSHEIQDXLKKKS-RLNRARFGSA-N 0 3 305.249 3.289 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)CN[C@H](C)c1nc2ccccc2o1 ZINC001666519920 1197266012 /nfs/dbraw/zinc/26/60/12/1197266012.db2.gz MAARERGBPXPIJF-ZIAGYGMSSA-N 0 3 315.417 3.197 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001666615491 1197273309 /nfs/dbraw/zinc/27/33/09/1197273309.db2.gz GHPWCORPNBLBFG-PPULMUOOSA-N 0 3 307.265 3.250 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)/C=C\C(C)(C)C ZINC001666869732 1197292621 /nfs/dbraw/zinc/29/26/21/1197292621.db2.gz DOSKMSGZWPEUEH-YXVBKTCISA-N 0 3 319.474 3.159 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001666988151 1197305777 /nfs/dbraw/zinc/30/57/77/1197305777.db2.gz UENOBQJKGFVWFN-SUMWQHHRSA-N 0 3 319.474 3.159 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cncc(C)c2)CCC1 ZINC001666987634 1197306166 /nfs/dbraw/zinc/30/61/66/1197306166.db2.gz LWFDTQLARLKTRV-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCC[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC001667166613 1197326307 /nfs/dbraw/zinc/32/63/07/1197326307.db2.gz JUNWEZCWDMWBGG-ROUUACIJSA-N 0 3 315.461 3.477 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C2CC2)cn1)C(C)C ZINC001667513022 1197355809 /nfs/dbraw/zinc/35/58/09/1197355809.db2.gz NHYSTXHNVNSZAF-MRXNPFEDSA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001667638354 1197372955 /nfs/dbraw/zinc/37/29/55/1197372955.db2.gz KYIOWZUBAZZDNM-GOSISDBHSA-N 0 3 318.461 3.119 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1sc(C(C)C)nc1C ZINC001667659463 1197375089 /nfs/dbraw/zinc/37/50/89/1197375089.db2.gz FBWSWLZAQHHQRL-UHFFFAOYSA-N 0 3 309.479 3.155 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC001668106989 1197400099 /nfs/dbraw/zinc/40/00/99/1197400099.db2.gz RLKONMKXLFOOLN-VXGBXAGGSA-N 0 3 319.287 3.062 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2ocnc2C)CCCC1 ZINC001668337419 1197410915 /nfs/dbraw/zinc/41/09/15/1197410915.db2.gz NGKRDEPWGBFUKN-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001668629087 1197422398 /nfs/dbraw/zinc/42/23/98/1197422398.db2.gz BYBUBNDPAIZOGW-UHFFFAOYSA-N 0 3 320.436 3.429 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN[C@@H](C)c1cccc(Cl)c1F ZINC001669280511 1197446738 /nfs/dbraw/zinc/44/67/38/1197446738.db2.gz JILKLOOSUZCKEN-OLZOCXBDSA-N 0 3 324.827 3.438 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001669698399 1197471223 /nfs/dbraw/zinc/47/12/23/1197471223.db2.gz WERXEOAIPXRSJY-DZGCQCFKSA-N 0 3 319.424 3.118 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1ccc(C(C)C)cc1 ZINC001669806127 1197485538 /nfs/dbraw/zinc/48/55/38/1197485538.db2.gz KDLGYIUDKXVSLT-KRWDZBQOSA-N 0 3 314.473 3.406 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001669816746 1197487719 /nfs/dbraw/zinc/48/77/19/1197487719.db2.gz YXUFGMTXALQMSX-VGMNTSGFSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001669872807 1197496426 /nfs/dbraw/zinc/49/64/26/1197496426.db2.gz KEWBJUAPOSRVGT-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C#CCN(C(=O)CC1(C)CCCC1)C1CCN(CC=C)CC1 ZINC001671474624 1197541923 /nfs/dbraw/zinc/54/19/23/1197541923.db2.gz YMXXUOLNZHRCKZ-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)CC1CCCCCC1)C1CCN(CC=C)CC1 ZINC001671496990 1197543276 /nfs/dbraw/zinc/54/32/76/1197543276.db2.gz KYAMRFJJQRYXML-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)CCC)C2 ZINC001671599294 1197550951 /nfs/dbraw/zinc/55/09/51/1197550951.db2.gz VQHWURIWFBGROQ-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)CCC)C2 ZINC001671599293 1197550994 /nfs/dbraw/zinc/55/09/94/1197550994.db2.gz VQHWURIWFBGROQ-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(CC=C)CCC1)C2 ZINC001671598451 1197551525 /nfs/dbraw/zinc/55/15/25/1197551525.db2.gz LCKLFSJVDYJGSE-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001671619625 1197553571 /nfs/dbraw/zinc/55/35/71/1197553571.db2.gz FDGIAAAERKZPFT-LJQANCHMSA-N 0 3 312.413 3.480 20 30 DGEDHN Cc1ccc(CN2CC[C@@](C)(NC(=O)C#CC(C)(C)C)C2)cc1 ZINC001671643610 1197557057 /nfs/dbraw/zinc/55/70/57/1197557057.db2.gz IJFVQOVPBIQGAD-HXUWFJFHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001671768298 1197568443 /nfs/dbraw/zinc/56/84/43/1197568443.db2.gz DMSSPKAPACYMGZ-INDWDQIESA-N 0 3 319.276 3.346 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001671868323 1197577324 /nfs/dbraw/zinc/57/73/24/1197577324.db2.gz SJGNUFQEBOPFLX-MRXNPFEDSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CN(CC[C@H](C)F)CCC1(F)F ZINC001671969029 1197588534 /nfs/dbraw/zinc/58/85/34/1197588534.db2.gz QZDYDTBUGTYLGW-UONOGXRCSA-N 0 3 320.399 3.164 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(C)CCC1)c1ccccc1CC ZINC001672176159 1197594673 /nfs/dbraw/zinc/59/46/73/1197594673.db2.gz HIJCUDCQLGXQME-GOSISDBHSA-N 0 3 312.457 3.209 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)CCC(C)(F)F ZINC001672392815 1197609275 /nfs/dbraw/zinc/60/92/75/1197609275.db2.gz QKYXUHBITNAYRI-UHFFFAOYSA-N 0 3 322.399 3.064 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001672974572 1197632412 /nfs/dbraw/zinc/63/24/12/1197632412.db2.gz BBBFINJENOOGDV-HDJSIYSDSA-N 0 3 321.490 3.120 20 30 DGEDHN CC#CCNC1(CNC(=O)Cc2ccc(C3CCC3)cc2)CCC1 ZINC001673193599 1197642696 /nfs/dbraw/zinc/64/26/96/1197642696.db2.gz GVNLARDBUPOSMZ-UHFFFAOYSA-N 0 3 324.468 3.148 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001673634026 1197681429 /nfs/dbraw/zinc/68/14/29/1197681429.db2.gz MTRCFDPDBJMREY-LJQANCHMSA-N 0 3 312.457 3.132 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(CC)CC)C2 ZINC001673645118 1197683680 /nfs/dbraw/zinc/68/36/80/1197683680.db2.gz GOXUMXLHZKSQAP-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001673645043 1197683744 /nfs/dbraw/zinc/68/37/44/1197683744.db2.gz FYDCLORORLJROC-FUHWJXTLSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc3ccccc3o2)C1 ZINC001673855956 1197698349 /nfs/dbraw/zinc/69/83/49/1197698349.db2.gz WMTRPYQKHJRCHK-PBHICJAKSA-N 0 3 312.413 3.336 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2c(C)nsc2C)C1 ZINC001673871607 1197700225 /nfs/dbraw/zinc/70/02/25/1197700225.db2.gz GKHTVKIGDPLWRT-WBMJQRKESA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001674140129 1197737239 /nfs/dbraw/zinc/73/72/39/1197737239.db2.gz DRGMIXNKGLTESV-STQMWFEESA-N 0 3 306.372 3.264 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](F)CC ZINC001674272019 1197756221 /nfs/dbraw/zinc/75/62/21/1197756221.db2.gz RGOASDSVJUVTHD-ROUUACIJSA-N 0 3 318.436 3.416 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1F ZINC001674480139 1197783654 /nfs/dbraw/zinc/78/36/54/1197783654.db2.gz COOQQJNIYHNHKI-LBPRGKRZSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C)c1 ZINC001674480606 1197784066 /nfs/dbraw/zinc/78/40/66/1197784066.db2.gz IWTWFTZSXUGWOF-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN CCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001674633321 1197811736 /nfs/dbraw/zinc/81/17/36/1197811736.db2.gz KENBGFDJSXFQEC-LSDHHAIUSA-N 0 3 320.864 3.365 20 30 DGEDHN Cc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)C)c(Cl)c1 ZINC001674660004 1197823157 /nfs/dbraw/zinc/82/31/57/1197823157.db2.gz CLVZFYVMIZSEST-LSDHHAIUSA-N 0 3 320.864 3.291 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001674671960 1197830101 /nfs/dbraw/zinc/83/01/01/1197830101.db2.gz CSAXHZLTEWOPSR-STQMWFEESA-N 0 3 310.388 3.304 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001674714770 1197843466 /nfs/dbraw/zinc/84/34/66/1197843466.db2.gz CUTJGKGOFLGVJO-NWDGAFQWSA-N 0 3 310.388 3.160 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCC1(C)CC1 ZINC001674749036 1197858124 /nfs/dbraw/zinc/85/81/24/1197858124.db2.gz UPTLGFVRNNOWDR-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN C[C@@H](NC(=O)C(C)(C)C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001674759495 1197861007 /nfs/dbraw/zinc/86/10/07/1197861007.db2.gz DJKNLYCAMUEQIO-UONOGXRCSA-N 0 3 320.864 3.220 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC001674991011 1197949142 /nfs/dbraw/zinc/94/91/42/1197949142.db2.gz DTIZLXOLEDWQRV-MRXNPFEDSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)CCc1csc(C)n1 ZINC001674992365 1197952722 /nfs/dbraw/zinc/95/27/22/1197952722.db2.gz XYDWCNSPPXWRJT-GUYCJALGSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001675015417 1197960585 /nfs/dbraw/zinc/96/05/85/1197960585.db2.gz NKYKTQXPZFFLGQ-VBNZEHGJSA-N 0 3 306.837 3.066 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc[nH]c2CC)CCCCC1 ZINC001675179530 1198000265 /nfs/dbraw/zinc/00/02/65/1198000265.db2.gz LCBVBXDAQMOUQJ-UHFFFAOYSA-N 0 3 323.868 3.352 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC(C)(C)CC)C[C@]2(C)C1 ZINC001675689200 1198117267 /nfs/dbraw/zinc/11/72/67/1198117267.db2.gz YFFICXPNRPGVSC-KDURUIRLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001675751234 1198134135 /nfs/dbraw/zinc/13/41/35/1198134135.db2.gz DYKZACQVAXDLEB-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001675802469 1198144152 /nfs/dbraw/zinc/14/41/52/1198144152.db2.gz XYMBJWBBGXCSJO-CAXWJHAQSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001675827319 1198148911 /nfs/dbraw/zinc/14/89/11/1198148911.db2.gz GRLQNEYWHQJDHE-WJYNOGRTSA-N 0 3 318.848 3.026 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001676022784 1198197112 /nfs/dbraw/zinc/19/71/12/1198197112.db2.gz ILSRWUAVWKWVNU-SLTXQBBLSA-N 0 3 312.885 3.440 20 30 DGEDHN C[C@H](CN(C)C(=O)C#CC1CC1)N[C@H](C)c1ccccc1Cl ZINC001676347120 1198297355 /nfs/dbraw/zinc/29/73/55/1198297355.db2.gz OMUGBLMEEINISX-ZIAGYGMSSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cccnc2C)C[C@H]1C ZINC001676729188 1198375134 /nfs/dbraw/zinc/37/51/34/1198375134.db2.gz KXCQWJSOGTXILQ-PBHICJAKSA-N 0 3 315.461 3.071 20 30 DGEDHN CC/C(C)=C\C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001676728728 1198375272 /nfs/dbraw/zinc/37/52/72/1198375272.db2.gz FKEDTNKSZUQIIK-LPEQCFEDSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(Cl)nc2)C[C@@H]1C ZINC001676757172 1198382147 /nfs/dbraw/zinc/38/21/47/1198382147.db2.gz VSGAYWBPPDKSLQ-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCCCC(C)C)CCC[C@@H]12 ZINC001676816244 1198400017 /nfs/dbraw/zinc/40/00/17/1198400017.db2.gz RBIQTPWISYTOFC-MJGOQNOKSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)[C@H]1C ZINC001676867211 1198416153 /nfs/dbraw/zinc/41/61/53/1198416153.db2.gz NJYUQPDFHUQXFS-PKOBYXMFSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(C)s2)[C@H]1C ZINC001676897839 1198429125 /nfs/dbraw/zinc/42/91/25/1198429125.db2.gz HEFVQWGWVRVKDP-GDBMZVCRSA-N 0 3 306.475 3.144 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cncc(Cl)c1)C(C)C ZINC001677215573 1198492454 /nfs/dbraw/zinc/49/24/54/1198492454.db2.gz RULHDAXRGCSXFI-UHFFFAOYSA-N 0 3 309.841 3.094 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cnc(C(C)C)s1)C(C)C ZINC001677223678 1198494947 /nfs/dbraw/zinc/49/49/47/1198494947.db2.gz QNKMGSZTIIIVFR-UHFFFAOYSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001677280966 1198508831 /nfs/dbraw/zinc/50/88/31/1198508831.db2.gz BTXOWTHPTKWXMB-VQIMIIECSA-N 0 3 317.477 3.304 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001677328150 1198516581 /nfs/dbraw/zinc/51/65/81/1198516581.db2.gz WSOWKLFRTQYGIW-KRWDZBQOSA-N 0 3 315.461 3.116 20 30 DGEDHN C#Cc1ccc(C(=O)NCc2ccc(CNCC=C)cc2F)cc1 ZINC001677645299 1198568071 /nfs/dbraw/zinc/56/80/71/1198568071.db2.gz WOGFSFQGFYXAHZ-UHFFFAOYSA-N 0 3 322.383 3.013 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N(CCC)CCN1CCCCC1 ZINC001682990335 1199222488 /nfs/dbraw/zinc/22/24/88/1199222488.db2.gz JDTIRXDTHIAQLL-UHFFFAOYSA-N 0 3 309.498 3.496 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001683111102 1199236823 /nfs/dbraw/zinc/23/68/23/1199236823.db2.gz GCKKVTZMKRHVMF-QAPCUYQASA-N 0 3 317.477 3.362 20 30 DGEDHN C=C[C@@H](C)NC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001685704004 1199500516 /nfs/dbraw/zinc/50/05/16/1199500516.db2.gz HQKSQNHAUKIAIO-MRXNPFEDSA-N 0 3 323.440 3.239 20 30 DGEDHN C=CCCCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001686213744 1199539043 /nfs/dbraw/zinc/53/90/43/1199539043.db2.gz XPWDRQAIKLXMJS-SFHVURJKSA-N 0 3 317.477 3.408 20 30 DGEDHN C=CCCCNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001686213743 1199539173 /nfs/dbraw/zinc/53/91/73/1199539173.db2.gz XPWDRQAIKLXMJS-GOSISDBHSA-N 0 3 317.477 3.408 20 30 DGEDHN C[C@@H]1CN(c2ncccc2C#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404310784 1199549284 /nfs/dbraw/zinc/54/92/84/1199549284.db2.gz KWXMCFBRYNBFCM-IXDOHACOSA-N 0 3 320.440 3.441 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001688888639 1199944422 /nfs/dbraw/zinc/94/44/22/1199944422.db2.gz LGVMADQEISFOMJ-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(CC)CC)C1 ZINC001688952035 1199970477 /nfs/dbraw/zinc/97/04/77/1199970477.db2.gz OVTHMRLODJNCSW-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(Cc2ccccc2)CCC1 ZINC001753855467 1200002279 /nfs/dbraw/zinc/00/22/79/1200002279.db2.gz ZGBBSTKOMTUDKW-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccccc1CC(C)(C)C ZINC001753856214 1200004520 /nfs/dbraw/zinc/00/45/20/1200004520.db2.gz VAQFPBXHMFSHOG-UHFFFAOYSA-N 0 3 302.462 3.465 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)Cc1ccccc1Cl ZINC001753864579 1200014808 /nfs/dbraw/zinc/01/48/08/1200014808.db2.gz PMXHFZBLKMWJDY-CQSZACIVSA-N 0 3 308.853 3.095 20 30 DGEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)[C@@H](C)C(C)(C)C ZINC001753975306 1200055857 /nfs/dbraw/zinc/05/58/57/1200055857.db2.gz CDZBHKWJMXCUAE-LSDHHAIUSA-N 0 3 315.461 3.225 20 30 DGEDHN CC(=O)N1CCCCC[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001689254479 1200069585 /nfs/dbraw/zinc/06/95/85/1200069585.db2.gz YIWNUAVXFBVEHD-GOSISDBHSA-N 0 3 318.848 3.072 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1sc(C)cc1C ZINC001754018459 1200073609 /nfs/dbraw/zinc/07/36/09/1200073609.db2.gz SIDCRQIFKYQHMR-GFCCVEGCSA-N 0 3 314.882 3.144 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CCCCC)C(C)C)[C@H]1C ZINC001689328044 1200095303 /nfs/dbraw/zinc/09/53/03/1200095303.db2.gz MJLBELKJZMUMDW-KURKYZTESA-N 0 3 306.494 3.441 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC001754075974 1200096304 /nfs/dbraw/zinc/09/63/04/1200096304.db2.gz POYSWKGFMOQUHS-LJQANCHMSA-N 0 3 314.473 3.278 20 30 DGEDHN C=CCCCC(=O)NC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC001754164886 1200118494 /nfs/dbraw/zinc/11/84/94/1200118494.db2.gz QLWBIAMXIPTREF-DUMMIQTOSA-N 0 3 316.420 3.431 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001754237582 1200144344 /nfs/dbraw/zinc/14/43/44/1200144344.db2.gz MDCCGTZDZXWWCW-CYBMUJFWSA-N 0 3 308.853 3.455 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1ccccc1OC(C)C ZINC001754237724 1200146537 /nfs/dbraw/zinc/14/65/37/1200146537.db2.gz RFDKVPKNHILWDS-OAHLLOKOSA-N 0 3 318.461 3.280 20 30 DGEDHN C=CCOCC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001754305082 1200188521 /nfs/dbraw/zinc/18/85/21/1200188521.db2.gz HPBMROPVXPPYFR-UONOGXRCSA-N 0 3 324.852 3.040 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccccc1N(C)C ZINC001754311905 1200197113 /nfs/dbraw/zinc/19/71/13/1200197113.db2.gz UDGBFEXPPJYUAJ-INIZCTEOSA-N 0 3 317.477 3.045 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001754318930 1200204656 /nfs/dbraw/zinc/20/46/56/1200204656.db2.gz KVZJKXJMSAMQQZ-CXAGYDPISA-N 0 3 318.436 3.462 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001754385999 1200249028 /nfs/dbraw/zinc/24/90/28/1200249028.db2.gz CBSMOOIDGGGOHR-FUHWJXTLSA-N 0 3 320.864 3.155 20 30 DGEDHN C#CCC1(C(=O)N[C@H](CNC[C@H](F)CC)C2CC2)CCCCC1 ZINC001754460982 1200275510 /nfs/dbraw/zinc/27/55/10/1200275510.db2.gz FDBZCPBMWFDSKB-IAGOWNOFSA-N 0 3 322.468 3.193 20 30 DGEDHN CCC[C@H](C)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001689793909 1200280964 /nfs/dbraw/zinc/28/09/64/1200280964.db2.gz ZVOXUIYRHPVLKZ-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1cnccc1C ZINC001754479354 1200291891 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ZINC001754556983 1200362097 /nfs/dbraw/zinc/36/20/97/1200362097.db2.gz LZJROCZYTPYPIA-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001754558456 1200363255 /nfs/dbraw/zinc/36/32/55/1200363255.db2.gz SSFJTGWUHCGNPQ-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN([C@@H](C)COC)C2)CCCCC1 ZINC001690051531 1200387171 /nfs/dbraw/zinc/38/71/71/1200387171.db2.gz FSUFUBBMIQQNOA-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1cc2ccccc2o1 ZINC001754608560 1200394690 /nfs/dbraw/zinc/39/46/90/1200394690.db2.gz SOTRQKSDAMUZNJ-INIZCTEOSA-N 0 3 312.413 3.480 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001690123389 1200409321 /nfs/dbraw/zinc/40/93/21/1200409321.db2.gz OUBBIWAMEDXVPW-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCNC[C@@H](NC(=O)C1(C)CC1)c1ccc2ccccc2c1 ZINC001754644464 1200411599 /nfs/dbraw/zinc/41/15/99/1200411599.db2.gz UICHHONVMVFRHT-LJQANCHMSA-N 0 3 320.436 3.410 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC2CCOCC2)CC1 ZINC001690132509 1200412388 /nfs/dbraw/zinc/41/23/88/1200412388.db2.gz GICOSWNKDYVGOC-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001754687305 1200447038 /nfs/dbraw/zinc/44/70/38/1200447038.db2.gz NKKWVTCBPQZWKX-DNVCBOLYSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001690224036 1200459021 /nfs/dbraw/zinc/45/90/21/1200459021.db2.gz YKBWNACOUPAGIY-GJZGRUSLSA-N 0 3 318.848 3.395 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cccc(C(C)C)c2)CC1 ZINC001754721212 1200464200 /nfs/dbraw/zinc/46/42/00/1200464200.db2.gz FOIBWKHFJZSDEI-UHFFFAOYSA-N 0 3 312.457 3.275 20 30 DGEDHN C#CCC1(C(=O)NC[C@@]2(C)CCCN(CC=C)C2)CCCCC1 ZINC001754734967 1200478892 /nfs/dbraw/zinc/47/88/92/1200478892.db2.gz QEQCNKGBLBTVKJ-LJQANCHMSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H]1CN(CC)CCC1(F)F)c1ccccc1 ZINC001754745195 1200483061 /nfs/dbraw/zinc/48/30/61/1200483061.db2.gz VQOSDNHLAWEPKT-HZPDHXFCSA-N 0 3 322.399 3.050 20 30 DGEDHN C#CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001690306565 1200490863 /nfs/dbraw/zinc/49/08/63/1200490863.db2.gz ZKATVLWMZBSBQD-MGNMYUMUSA-N 0 3 308.441 3.040 20 30 DGEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001690304070 1200491441 /nfs/dbraw/zinc/49/14/41/1200491441.db2.gz OEAHQOYQYFSCBR-AYHJJNSGSA-N 0 3 316.420 3.404 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC/C(Cl)=C\Cl)C1 ZINC001754796618 1200493589 /nfs/dbraw/zinc/49/35/89/1200493589.db2.gz DVUYPRYXCCLYGE-DQSXNGOJSA-N 0 3 319.276 3.344 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NCc2csc(C)n2)C1 ZINC001754796185 1200493832 /nfs/dbraw/zinc/49/38/32/1200493832.db2.gz YMKIVXYUOKAZKP-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2ccc(C)cc2C)C1 ZINC001690349733 1200506218 /nfs/dbraw/zinc/50/62/18/1200506218.db2.gz KMUBCCKGZWBGBJ-CALCHBBNSA-N 0 3 320.864 3.225 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001690394204 1200536803 /nfs/dbraw/zinc/53/68/03/1200536803.db2.gz VCBJBJCMRZSSOX-TVRKMHQQSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001690400729 1200540126 /nfs/dbraw/zinc/54/01/26/1200540126.db2.gz VPZUYSTVBJUGBO-AWEZNQCLSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001754939966 1200543699 /nfs/dbraw/zinc/54/36/99/1200543699.db2.gz XZUVUNDXRWIQDN-CVEARBPZSA-N 0 3 323.868 3.020 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001754939968 1200543901 /nfs/dbraw/zinc/54/39/01/1200543901.db2.gz XZUVUNDXRWIQDN-HZPDHXFCSA-N 0 3 323.868 3.020 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cccs1 ZINC001754943838 1200546147 /nfs/dbraw/zinc/54/61/47/1200546147.db2.gz OYXDXAYONPLNGM-UHFFFAOYSA-N 0 3 300.427 3.296 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)c2ccccc2)cc1 ZINC001754948695 1200550066 /nfs/dbraw/zinc/55/00/66/1200550066.db2.gz NFJCLKOMZGVYPV-IRXDYDNUSA-N 0 3 320.436 3.390 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@H](CCCC)C(C)C)C2)CC1 ZINC001754962652 1200560583 /nfs/dbraw/zinc/56/05/83/1200560583.db2.gz KAMGVWZBBIOCFC-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(C)nc2C)CCC1 ZINC001754983374 1200569378 /nfs/dbraw/zinc/56/93/78/1200569378.db2.gz RCFAXNUEYQSZJG-UHFFFAOYSA-N 0 3 315.461 3.183 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001690461518 1200575331 /nfs/dbraw/zinc/57/53/31/1200575331.db2.gz VVOZXTVQYGBJIU-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1cc(C)ns1 ZINC001690469902 1200579207 /nfs/dbraw/zinc/57/92/07/1200579207.db2.gz HDIBILPOFIGCRR-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001690487849 1200585199 /nfs/dbraw/zinc/58/51/99/1200585199.db2.gz ARXIACWOILNRGI-QZTJIDSGSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#CC ZINC001690490487 1200588251 /nfs/dbraw/zinc/58/82/51/1200588251.db2.gz AQVCZKSSRKKYCR-ROUUACIJSA-N 0 3 316.489 3.458 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001755028575 1200590020 /nfs/dbraw/zinc/59/00/20/1200590020.db2.gz NVUATLAYJSYLMO-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2cscn2)CC1 ZINC001755069135 1200625086 /nfs/dbraw/zinc/62/50/86/1200625086.db2.gz MWNGYCOVRRFDSB-UHFFFAOYSA-N 0 3 321.490 3.360 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CC(C)C)CCC1)C2 ZINC001755079219 1200632571 /nfs/dbraw/zinc/63/25/71/1200632571.db2.gz YXXYHORJUKWHIL-IBGZPJMESA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CC=C)CCCC1)C2 ZINC001755079904 1200632894 /nfs/dbraw/zinc/63/28/94/1200632894.db2.gz UAHXPMXRGAVJKL-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C[C@H](CNC(=O)[C@H]1CCCC1(C)C)NCc1ccc(C#N)s1 ZINC001690612178 1200646562 /nfs/dbraw/zinc/64/65/62/1200646562.db2.gz HHOJUPLHNNEHDJ-IUODEOHRSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(F)c1 ZINC001690626648 1200656264 /nfs/dbraw/zinc/65/62/64/1200656264.db2.gz IZGFHMUIIKIFBK-CYBMUJFWSA-N 0 3 322.424 3.031 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1ccc(OC)c(F)c1 ZINC001690626649 1200657043 /nfs/dbraw/zinc/65/70/43/1200657043.db2.gz IZGFHMUIIKIFBK-ZDUSSCGKSA-N 0 3 322.424 3.031 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C[C@H](C)c2ccco2)C(C)(C)C1 ZINC001755144189 1200662475 /nfs/dbraw/zinc/66/24/75/1200662475.db2.gz XTWPAOIINYZHQQ-DOTOQJQBSA-N 0 3 316.445 3.013 20 30 DGEDHN CCCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)C#N ZINC001755172758 1200678168 /nfs/dbraw/zinc/67/81/68/1200678168.db2.gz XMTPXWCDBNIHCF-QAPCUYQASA-N 0 3 313.445 3.052 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001690675593 1200679402 /nfs/dbraw/zinc/67/94/02/1200679402.db2.gz VKRBVHJZHGWQHG-INIZCTEOSA-N 0 3 304.409 3.181 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(F)c(Cl)c1 ZINC001755198677 1200696959 /nfs/dbraw/zinc/69/69/59/1200696959.db2.gz FMLOCOIYORYTPH-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H](NCc2nc(C)cs2)C1 ZINC001690772855 1200708041 /nfs/dbraw/zinc/70/80/41/1200708041.db2.gz XWOMJRXAWJRLTG-GJZGRUSLSA-N 0 3 321.490 3.325 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001755227900 1200716809 /nfs/dbraw/zinc/71/68/09/1200716809.db2.gz XFPVDIDMDKQZBX-CVEARBPZSA-N 0 3 318.436 3.096 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001755231126 1200720630 /nfs/dbraw/zinc/72/06/30/1200720630.db2.gz PVRUGMKDRBPJPU-RZAHBXAWSA-N 0 3 318.848 3.141 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001690826858 1200739835 /nfs/dbraw/zinc/73/98/35/1200739835.db2.gz POKOHZXZNTVSBB-LQOHYYORSA-N 0 3 324.468 3.344 20 30 DGEDHN C=C(Br)CN[C@H](C)CCNC(=O)C(C)(C)C(C)C ZINC001690844953 1200747604 /nfs/dbraw/zinc/74/76/04/1200747604.db2.gz VBLJDEHVNUSNBP-GFCCVEGCSA-N 0 3 319.287 3.062 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC001691796824 1200811834 /nfs/dbraw/zinc/81/18/34/1200811834.db2.gz NYNWUQRMMNFQFD-ROUUACIJSA-N 0 3 312.388 3.330 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001691811036 1200818292 /nfs/dbraw/zinc/81/82/92/1200818292.db2.gz SFMYXKKBSCLJBF-QAQDUYKDSA-N 0 3 320.864 3.083 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccoc1 ZINC001755356494 1200838763 /nfs/dbraw/zinc/83/87/63/1200838763.db2.gz PCYLRAULEHFEHN-LJQANCHMSA-N 0 3 324.424 3.210 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001691856498 1200840019 /nfs/dbraw/zinc/84/00/19/1200840019.db2.gz KHANXQQUZPXBOB-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001691867572 1200847680 /nfs/dbraw/zinc/84/76/80/1200847680.db2.gz WWSHOKZTBTVCEC-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CC(C)(C)CC(F)F)C1 ZINC001755382401 1200866198 /nfs/dbraw/zinc/86/61/98/1200866198.db2.gz NGCVYSWNHKSBHU-LBPRGKRZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001755399278 1200876020 /nfs/dbraw/zinc/87/60/20/1200876020.db2.gz BYPLHTDVICJWBX-QFBILLFUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)[C@H]1CC ZINC001692031294 1200917365 /nfs/dbraw/zinc/91/73/65/1200917365.db2.gz XNPHEQDOIJVXJQ-FHLIZLRMSA-N 0 3 318.436 3.159 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001692084277 1200924894 /nfs/dbraw/zinc/92/48/94/1200924894.db2.gz CLJOXVSIWYKPJM-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001755611445 1200989696 /nfs/dbraw/zinc/98/96/96/1200989696.db2.gz PODIAELYBDXIQY-HKUYNNGSSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc(C)ccc2OC)C[C@@H]1C ZINC001755673529 1201008791 /nfs/dbraw/zinc/00/87/91/1201008791.db2.gz PKTZBLUUDNQHOB-RDJZCZTQSA-N 0 3 316.445 3.049 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C#CC(C)(C)C)C1 ZINC001692319014 1201015588 /nfs/dbraw/zinc/01/55/88/1201015588.db2.gz LEJVJGPKZMUZBT-OAHLLOKOSA-N 0 3 310.869 3.149 20 30 DGEDHN 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WOPBVOHAQLWEEV-HNNXBMFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001755818470 1201085661 /nfs/dbraw/zinc/08/56/61/1201085661.db2.gz MVYJNXNZLXNVOU-YOEHRIQHSA-N 0 3 318.461 3.481 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)CC(C2CC2)C2CC2)CC1 ZINC001755850629 1201105795 /nfs/dbraw/zinc/10/57/95/1201105795.db2.gz KIFVZQKSJWMFQH-HNNXBMFYSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(NCc2oc(C(C)C)nc2C)C1 ZINC001755854607 1201108803 /nfs/dbraw/zinc/10/88/03/1201108803.db2.gz NUXLOCJYJSXTMW-UHFFFAOYSA-N 0 3 319.449 3.152 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001755860966 1201110816 /nfs/dbraw/zinc/11/08/16/1201110816.db2.gz BQUOPXYGJHOORR-KOHJWAIASA-N 0 3 319.276 3.487 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2(CC=C)CCC2)c(F)c1 ZINC001755902027 1201126885 /nfs/dbraw/zinc/12/68/85/1201126885.db2.gz MBAUXNGOQOZJHH-UHFFFAOYSA-N 0 3 316.420 3.464 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC001755901459 1201127458 /nfs/dbraw/zinc/12/74/58/1201127458.db2.gz RSFMGWTYWJJQEB-USXIJHARSA-N 0 3 316.420 3.154 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001698558162 1201228703 /nfs/dbraw/zinc/22/87/03/1201228703.db2.gz RUBYNNHAYLWLPB-AEFFLSMTSA-N 0 3 316.420 3.312 20 30 DGEDHN CCCCCCCN1CC[C@@H](N(C)C(=O)C(=O)C(C)(C)C)C1 ZINC001698559095 1201230246 /nfs/dbraw/zinc/23/02/46/1201230246.db2.gz IZABJZFGDYHPCU-OAHLLOKOSA-N 0 3 310.482 3.105 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001698580641 1201255920 /nfs/dbraw/zinc/25/59/20/1201255920.db2.gz FMHIAVRBUHCZJF-FQEVSTJZSA-N 0 3 324.468 3.140 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001698585584 1201259597 /nfs/dbraw/zinc/25/95/97/1201259597.db2.gz FNIYUGPPUOWBHC-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001698586598 1201261582 /nfs/dbraw/zinc/26/15/82/1201261582.db2.gz WHOGOTZHDREKBX-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1cccc(Cl)n1 ZINC001698619126 1201290077 /nfs/dbraw/zinc/29/00/77/1201290077.db2.gz CNWDEIGPHQVHKO-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001698659005 1201323788 /nfs/dbraw/zinc/32/37/88/1201323788.db2.gz ARNRGBLNGBXETH-OAHLLOKOSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@]2(C)CC=C(C)CC2)cc1 ZINC001698719029 1201356924 /nfs/dbraw/zinc/35/69/24/1201356924.db2.gz BDGLAKYPOBAZPK-HXUWFJFHSA-N 0 3 310.441 3.162 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001698765793 1201400223 /nfs/dbraw/zinc/40/02/23/1201400223.db2.gz IVHBWIYCACXQRP-OAHLLOKOSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1nc(C)c(C)s1 ZINC001698767414 1201401143 /nfs/dbraw/zinc/40/11/43/1201401143.db2.gz VEXXZAAEHDNKFR-GFCCVEGCSA-N 0 3 323.506 3.204 20 30 DGEDHN C#CCC1(C(=O)N[C@H](CNCCF)CC(C)C)CCCCC1 ZINC001698877920 1201541198 /nfs/dbraw/zinc/54/11/98/1201541198.db2.gz JZTNYKZLDXQAFR-INIZCTEOSA-N 0 3 310.457 3.050 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cccn1CC ZINC001698923767 1201578449 /nfs/dbraw/zinc/57/84/49/1201578449.db2.gz UHNFUMKDILZEFJ-OAHLLOKOSA-N 0 3 323.868 3.235 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](CC)OC1CCCCC1 ZINC001699001590 1201667575 /nfs/dbraw/zinc/66/75/75/1201667575.db2.gz KMYRMQVTKONHLW-KRWDZBQOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001699003994 1201673439 /nfs/dbraw/zinc/67/34/39/1201673439.db2.gz KMRIABYVSOCEKD-INIZCTEOSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001699003350 1201675555 /nfs/dbraw/zinc/67/55/55/1201675555.db2.gz WYKOAOYEPFLLGY-UHFFFAOYSA-N 0 3 306.475 3.207 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001699139539 1201725628 /nfs/dbraw/zinc/72/56/28/1201725628.db2.gz ZZGRRKWZSXTYJJ-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccco1 ZINC001750931119 1201726074 /nfs/dbraw/zinc/72/60/74/1201726074.db2.gz VVMLBMXMEDVKQA-HOTGVXAUSA-N 0 3 304.434 3.272 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccnc(Cl)c1 ZINC001699197655 1201750305 /nfs/dbraw/zinc/75/03/05/1201750305.db2.gz NEQJFQUHTPQIBP-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1cccc(Cl)n1 ZINC001752204045 1201798069 /nfs/dbraw/zinc/79/80/69/1201798069.db2.gz CCXDJEKPELDVAD-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001699358915 1201807938 /nfs/dbraw/zinc/80/79/38/1201807938.db2.gz AGFQFZMNZISTCX-LSDHHAIUSA-N 0 3 320.864 3.222 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC001752265812 1201814061 /nfs/dbraw/zinc/81/40/61/1201814061.db2.gz FGBUMFAJFCATSN-FQEVSTJZSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@@H]1CCCCC1(C)C)C1CC1 ZINC001752290383 1201822093 /nfs/dbraw/zinc/82/20/93/1201822093.db2.gz NDPVFALROYQHQR-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2ccc(C)cc2C)CC1 ZINC001752304413 1201826551 /nfs/dbraw/zinc/82/65/51/1201826551.db2.gz OGTMWLJBULZAHK-UHFFFAOYSA-N 0 3 314.473 3.345 20 30 DGEDHN Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)C#CC(C)(C)C ZINC001699402931 1201841624 /nfs/dbraw/zinc/84/16/24/1201841624.db2.gz DQGSYZOVNRIBDJ-AWEZNQCLSA-N 0 3 320.864 3.292 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1c(C)cccc1Cl ZINC001699415422 1201848867 /nfs/dbraw/zinc/84/88/67/1201848867.db2.gz MDCCGTZDZXWWCW-ZDUSSCGKSA-N 0 3 308.853 3.455 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001699419882 1201854058 /nfs/dbraw/zinc/85/40/58/1201854058.db2.gz BZEDKJSLNWGZJY-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN[C@H](C)c2ccccc2F)C1 ZINC001699422836 1201856770 /nfs/dbraw/zinc/85/67/70/1201856770.db2.gz ZGEZNIPCOBMERP-UONOGXRCSA-N 0 3 304.409 3.337 20 30 DGEDHN CC(C)c1ccccc1CN(C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001699449058 1201886378 /nfs/dbraw/zinc/88/63/78/1201886378.db2.gz RZAVFSJEJIUYFO-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001752680724 1201891544 /nfs/dbraw/zinc/89/15/44/1201891544.db2.gz ALNLDDYSTPSIAO-IHRRRGAJSA-N 0 3 300.874 3.438 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(C)=C(C)C)C1 ZINC001752708678 1201898627 /nfs/dbraw/zinc/89/86/27/1201898627.db2.gz VSMSEPCSDYWQOH-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2OC)C1 ZINC001752715363 1201900087 /nfs/dbraw/zinc/90/00/87/1201900087.db2.gz VPRHYKQSLIBGIS-GASCZTMLSA-N 0 3 322.836 3.052 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001752752636 1201904779 /nfs/dbraw/zinc/90/47/79/1201904779.db2.gz DAGUELVYBQKJGJ-IYBDPMFKSA-N 0 3 315.461 3.154 20 30 DGEDHN C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001752766560 1201910516 /nfs/dbraw/zinc/91/05/16/1201910516.db2.gz SBZWLVUQHRLFPB-RDPOXOKHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001699484746 1201924265 /nfs/dbraw/zinc/92/42/65/1201924265.db2.gz QXTFHTHAMJWWTP-HIFRSBDPSA-N 0 3 321.490 3.120 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001752790297 1201924562 /nfs/dbraw/zinc/92/45/62/1201924562.db2.gz WNADSGYZYUBNTI-ZWKOTPCHSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1ccc(F)cc1F ZINC001699509505 1201930884 /nfs/dbraw/zinc/93/08/84/1201930884.db2.gz BAZJOCKRKJPNMD-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001699533550 1201940816 /nfs/dbraw/zinc/94/08/16/1201940816.db2.gz LZWACEYKNMHUJX-LBPRGKRZSA-N 0 3 300.855 3.042 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1CC1CCC2(CC2)CC1 ZINC001699621773 1201984326 /nfs/dbraw/zinc/98/43/26/1201984326.db2.gz MAKSTEBCUNCKEH-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001699636247 1202002002 /nfs/dbraw/zinc/00/20/02/1202002002.db2.gz XWXIBOAKWDHNCJ-FUHWJXTLSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2nc(C)c(C)s2)C1 ZINC001752939411 1202017517 /nfs/dbraw/zinc/01/75/17/1202017517.db2.gz ZCRNGIYHTKEJHX-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001752967553 1202027670 /nfs/dbraw/zinc/02/76/70/1202027670.db2.gz GARQJTLQYRTFFD-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](NCc2ocnc2C)C1 ZINC001752972049 1202030055 /nfs/dbraw/zinc/03/00/55/1202030055.db2.gz SPQXPHJJFDGFFS-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001752996143 1202046308 /nfs/dbraw/zinc/04/63/08/1202046308.db2.gz JIJGDEUGUQCRGO-LOJRPPCJSA-N 0 3 324.468 3.426 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2oc(C)nc2C)C[C@@H]1C ZINC001699735393 1202059839 /nfs/dbraw/zinc/05/98/39/1202059839.db2.gz FDDPJKYTXVXUPH-XJKSGUPXSA-N 0 3 319.449 3.117 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@H](C)c1ccccc1 ZINC001753019125 1202062730 /nfs/dbraw/zinc/06/27/30/1202062730.db2.gz VNWXZHWDEKHLGZ-DZGCQCFKSA-N 0 3 308.853 3.417 20 30 DGEDHN CCC(C)(CC)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001753020067 1202064215 /nfs/dbraw/zinc/06/42/15/1202064215.db2.gz AQTRKUAVYCNEBI-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccn(C)c1C ZINC001753033091 1202069197 /nfs/dbraw/zinc/06/91/97/1202069197.db2.gz DXISEUSSOKWYGV-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C#CCN(C(=O)c1ccoc1)C1CCN(Cc2ccccc2)CC1 ZINC001699779117 1202076437 /nfs/dbraw/zinc/07/64/37/1202076437.db2.gz YCZBYDPNUCKNHD-UHFFFAOYSA-N 0 3 322.408 3.020 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1ccc(C2CC2)cc1 ZINC001753060210 1202089589 /nfs/dbraw/zinc/08/95/89/1202089589.db2.gz JEXQLSIJZTTWFN-UHFFFAOYSA-N 0 3 312.457 3.306 20 30 DGEDHN CCN(CCNC(=O)CC1CCCC1)Cc1cccc(C#N)c1 ZINC001753077263 1202107813 /nfs/dbraw/zinc/10/78/13/1202107813.db2.gz MVYZOXSJXSUHRH-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001753093025 1202122434 /nfs/dbraw/zinc/12/24/34/1202122434.db2.gz SANRLNNTWJYKGN-CVEARBPZSA-N 0 3 315.461 3.179 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001753093027 1202123832 /nfs/dbraw/zinc/12/38/32/1202123832.db2.gz SANRLNNTWJYKGN-HZPDHXFCSA-N 0 3 315.461 3.179 20 30 DGEDHN CCN(CCNC(=O)CCC1(C)CC1)Cc1cccc(C#N)c1 ZINC001753092531 1202123878 /nfs/dbraw/zinc/12/38/78/1202123878.db2.gz JSPYNVYZTNLUBV-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccccc2)C1 ZINC001699876899 1202131597 /nfs/dbraw/zinc/13/15/97/1202131597.db2.gz LSEUTBRAEMHYJS-LJQANCHMSA-N 0 3 300.446 3.024 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001699876460 1202133220 /nfs/dbraw/zinc/13/32/20/1202133220.db2.gz YMTILVRDLIXGLY-IBGZPJMESA-N 0 3 315.461 3.223 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@]1(C)CCCN(CC#CC)C1)c1ccccc1 ZINC001699879742 1202135720 /nfs/dbraw/zinc/13/57/20/1202135720.db2.gz XATYJXDDGDVJEF-PZJWPPBQSA-N 0 3 324.468 3.198 20 30 DGEDHN Cc1ccc(CN2CCC[C@@H]2CNC(=O)C#CC(C)C)cc1C ZINC001753104541 1202136715 /nfs/dbraw/zinc/13/67/15/1202136715.db2.gz GXAUDEIQFVJTMY-LJQANCHMSA-N 0 3 312.457 3.043 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001699888911 1202136855 /nfs/dbraw/zinc/13/68/55/1202136855.db2.gz VJMUFDDSGJIAQT-ZIAGYGMSSA-N 0 3 302.409 3.071 20 30 DGEDHN C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC001699980717 1202156974 /nfs/dbraw/zinc/15/69/74/1202156974.db2.gz MKLBGGILTGJYOJ-UHFFFAOYSA-N 0 3 324.424 3.200 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)/C(C)=C/C)CC1 ZINC001699983385 1202157487 /nfs/dbraw/zinc/15/74/87/1202157487.db2.gz DMJOVAJGRYBRBZ-FZSIALSZSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@]1(C)CC=CCC1 ZINC001699984370 1202157605 /nfs/dbraw/zinc/15/76/05/1202157605.db2.gz NJOMMXFJSCUPCD-NRFANRHFSA-N 0 3 324.468 3.375 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@](C)(CC)CCCCCC)C[C@@H]2C1 ZINC001699994159 1202161452 /nfs/dbraw/zinc/16/14/52/1202161452.db2.gz KLMMPLIIOWSKMY-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC001700008113 1202162245 /nfs/dbraw/zinc/16/22/45/1202162245.db2.gz QLUQEQVHDPYWCN-MSOLQXFVSA-N 0 3 316.420 3.357 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001753146376 1202162951 /nfs/dbraw/zinc/16/29/51/1202162951.db2.gz SQXPKEGKUJZDIZ-ROUUACIJSA-N 0 3 304.478 3.054 20 30 DGEDHN Cc1ccccc1CN(CCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001753153470 1202172010 /nfs/dbraw/zinc/17/20/10/1202172010.db2.gz UTJXSCKRKQRAKI-UHFFFAOYSA-N 0 3 312.457 3.125 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC001700094409 1202178844 /nfs/dbraw/zinc/17/88/44/1202178844.db2.gz JPZWUOIRFWYDFW-YJBOKZPZSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(F)c(C)c2)cc1 ZINC001700095261 1202179271 /nfs/dbraw/zinc/17/92/71/1202179271.db2.gz VXGVJMWLLVANHF-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC2(C)C)cc1 ZINC001700095187 1202179455 /nfs/dbraw/zinc/17/94/55/1202179455.db2.gz UFPLLFINOPBZKC-MAUKXSAKSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CCCCC(C)(C)C)C2)CC1 ZINC001700107341 1202182707 /nfs/dbraw/zinc/18/27/07/1202182707.db2.gz CXYQNBRTFCIDQX-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CC[C@@H](C)c3ccccc3)C2)CC1 ZINC001700108950 1202183106 /nfs/dbraw/zinc/18/31/06/1202183106.db2.gz CMGUAZNJVNWJSD-GOSISDBHSA-N 0 3 324.468 3.128 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cncc(C)c2)CCC1 ZINC001700137340 1202189599 /nfs/dbraw/zinc/18/95/99/1202189599.db2.gz XIKQPFAXFFCCGK-GOSISDBHSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2ccc(Cl)s2)CCC1 ZINC001700142424 1202191012 /nfs/dbraw/zinc/19/10/12/1202191012.db2.gz VJTBWVJFQJSLHM-LBPRGKRZSA-N 0 3 324.877 3.157 20 30 DGEDHN CC#CCNC1(CNC(=O)CC(C)(C)c2ccccc2)CCC1 ZINC001700143186 1202191853 /nfs/dbraw/zinc/19/18/53/1202191853.db2.gz OFZBQHMNSYGGQA-UHFFFAOYSA-N 0 3 312.457 3.006 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC001700179536 1202197252 /nfs/dbraw/zinc/19/72/52/1202197252.db2.gz RLFZVQOXDZSIBO-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN CCCCC(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001700182897 1202200000 /nfs/dbraw/zinc/20/00/00/1202200000.db2.gz IDLPZQKIFJVOHR-UHFFFAOYSA-N 0 3 319.424 3.168 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C(C)(C)C)s1 ZINC001700195575 1202207374 /nfs/dbraw/zinc/20/73/74/1202207374.db2.gz SAULOXONIDJMRM-UHFFFAOYSA-N 0 3 306.475 3.073 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2nc(CC)oc2C)C1 ZINC001753320129 1202209097 /nfs/dbraw/zinc/20/90/97/1202209097.db2.gz UGYNAJKTROSDRC-OAHLLOKOSA-N 0 3 319.449 3.048 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(CCC)[C@H]1CCN(CC(=C)C)C1 ZINC001753324056 1202210933 /nfs/dbraw/zinc/21/09/33/1202210933.db2.gz WLHLWTOXRVVTSH-FQEVSTJZSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC ZINC001700223096 1202214046 /nfs/dbraw/zinc/21/40/46/1202214046.db2.gz CQHWCGWZFRMEGV-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1CC(C)C ZINC001700225615 1202215062 /nfs/dbraw/zinc/21/50/62/1202215062.db2.gz DCAXAGOZIBLQCW-GOSISDBHSA-N 0 3 314.473 3.398 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C(C)(C)C ZINC001700226586 1202215200 /nfs/dbraw/zinc/21/52/00/1202215200.db2.gz JLQLEJKJRVWKBO-QGZVFWFLSA-N 0 3 300.446 3.152 20 30 DGEDHN CC[C@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)C#CC(C)(C)C)C2 ZINC001700227639 1202215691 /nfs/dbraw/zinc/21/56/91/1202215691.db2.gz RICGHOUZGIWGTB-QFBILLFUSA-N 0 3 322.468 3.099 20 30 DGEDHN CC[C@H](F)CN1CC[C@]2(C1)CCCN(C(=O)C#CC(C)(C)C)C2 ZINC001700227438 1202215872 /nfs/dbraw/zinc/21/58/72/1202215872.db2.gz RICGHOUZGIWGTB-LPHOPBHVSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccnc2C)CC1(C)C ZINC001700288133 1202227298 /nfs/dbraw/zinc/22/72/98/1202227298.db2.gz KPHOZQOUMVPTHT-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001700314213 1202232849 /nfs/dbraw/zinc/23/28/49/1202232849.db2.gz QYFOMZPTOSKAOI-YJBOKZPZSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001753419835 1202248348 /nfs/dbraw/zinc/24/83/48/1202248348.db2.gz URMQDCVEUBQAQJ-LTFXXXRZSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001700376326 1202254487 /nfs/dbraw/zinc/25/44/87/1202254487.db2.gz JIXGRKKHINPLJU-UHFFFAOYSA-N 0 3 324.827 3.293 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001753445731 1202257802 /nfs/dbraw/zinc/25/78/02/1202257802.db2.gz QXLLRXASLYYNML-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](C)[C@@H](C)NC(=O)C#CC(C)C ZINC001700397696 1202261892 /nfs/dbraw/zinc/26/18/92/1202261892.db2.gz RERDDMRIHHFZSL-HUUCEWRRSA-N 0 3 320.864 3.291 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001700411235 1202265369 /nfs/dbraw/zinc/26/53/69/1202265369.db2.gz DVBAERYIVNVYOF-PJWHXWNJSA-N 0 3 317.458 3.125 20 30 DGEDHN C/C=C(\C)C(=O)NC[C@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001753470202 1202268002 /nfs/dbraw/zinc/26/80/02/1202268002.db2.gz OJRDQEBGDAUIFT-MYRMFFISSA-N 0 3 318.848 3.142 20 30 DGEDHN CC1CC(C(=O)NC2(CNCC#Cc3ccccc3)CCCC2)C1 ZINC001753502087 1202277021 /nfs/dbraw/zinc/27/70/21/1202277021.db2.gz IOXMMURQHWTYHX-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2c2ccco2)CCCC1 ZINC001753509085 1202278711 /nfs/dbraw/zinc/27/87/11/1202278711.db2.gz HGPVUYXJXQUIGC-ZIAGYGMSSA-N 0 3 322.836 3.154 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(OC)c1 ZINC001700460028 1202280842 /nfs/dbraw/zinc/28/08/42/1202280842.db2.gz KDZYWZSSEGYYOZ-MRXNPFEDSA-N 0 3 318.461 3.296 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001700460228 1202280921 /nfs/dbraw/zinc/28/09/21/1202280921.db2.gz LBFAVULKNRJRHB-HNNXBMFYSA-N 0 3 313.445 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC001700470397 1202285392 /nfs/dbraw/zinc/28/53/92/1202285392.db2.gz LSVQQPHBPGVBDX-HNNXBMFYSA-N 0 3 318.461 3.152 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CCNCc2cnoc2C)C1 ZINC001753548775 1202287717 /nfs/dbraw/zinc/28/77/17/1202287717.db2.gz RXMIDIWNOJWGKW-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001700477826 1202289186 /nfs/dbraw/zinc/28/91/86/1202289186.db2.gz NIDXOXBSAIRJFA-HUUCEWRRSA-N 0 3 306.425 3.365 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001700481968 1202292390 /nfs/dbraw/zinc/29/23/90/1202292390.db2.gz XJXFHDSJNDGVGA-CRAIPNDOSA-N 0 3 315.461 3.321 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001700481970 1202292602 /nfs/dbraw/zinc/29/26/02/1202292602.db2.gz XJXFHDSJNDGVGA-MAUKXSAKSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C[C@@H]2CCCCO2)CCCC1 ZINC001700488062 1202294763 /nfs/dbraw/zinc/29/47/63/1202294763.db2.gz ZAYUTHMAAAPAJQ-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1cccc(Cl)c1F ZINC001753684316 1202312732 /nfs/dbraw/zinc/31/27/32/1202312732.db2.gz CHTHNSKFAOLVTK-CYBMUJFWSA-N 0 3 324.827 3.219 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3(CCCC)CC3)C[C@]2(C)C1 ZINC001700624138 1202324627 /nfs/dbraw/zinc/32/46/27/1202324627.db2.gz SEWZSTMYIKBCEM-KDURUIRLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001700682798 1202333348 /nfs/dbraw/zinc/33/33/48/1202333348.db2.gz UCNGFCKPLFYKEP-CYBMUJFWSA-N 0 3 323.868 3.134 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001753803060 1202336667 /nfs/dbraw/zinc/33/66/67/1202336667.db2.gz ISKOQVFDVZFBRP-MJGOQNOKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1csc(C)c1C)C(C)C ZINC001753831287 1202343501 /nfs/dbraw/zinc/34/35/01/1202343501.db2.gz QTMKWWRAEDFFGG-CQSZACIVSA-N 0 3 314.882 3.461 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001700741931 1202346413 /nfs/dbraw/zinc/34/64/13/1202346413.db2.gz WIDORTUIBQFSEE-LBPRGKRZSA-N 0 3 312.816 3.382 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CCCc1ccccc1Cl ZINC001700751599 1202348168 /nfs/dbraw/zinc/34/81/68/1202348168.db2.gz JBOQDGKTVIHYTF-OAHLLOKOSA-N 0 3 320.864 3.123 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(Cl)sc1Cl ZINC001700751900 1202348513 /nfs/dbraw/zinc/34/85/13/1202348513.db2.gz KVXRIZZNBRKPSN-SECBINFHSA-N 0 3 319.257 3.128 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001700761544 1202349969 /nfs/dbraw/zinc/34/99/69/1202349969.db2.gz XXJNLJLZAVOCTD-AWEZNQCLSA-N 0 3 306.837 3.030 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2ccc(Cl)s2)C[C@H]1C ZINC001700836998 1202357489 /nfs/dbraw/zinc/35/74/89/1202357489.db2.gz CLSKLXVTBCFQON-OLZOCXBDSA-N 0 3 324.877 3.140 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCCC(C)C)CCC[C@H]12 ZINC001700862078 1202361198 /nfs/dbraw/zinc/36/11/98/1202361198.db2.gz ABTLYFQLJHGECQ-PKOBYXMFSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccsc2)[C@@H]1C ZINC001700876680 1202363666 /nfs/dbraw/zinc/36/36/66/1202363666.db2.gz MNBXLWGPHVHZBX-HOCLYGCPSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)C/C=C/c2ccc(F)cc2)[C@@H]1C ZINC001700878576 1202364099 /nfs/dbraw/zinc/36/40/99/1202364099.db2.gz QYCLZIUYXSXVQY-HBJANEJGSA-N 0 3 316.420 3.384 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCOCCC(C)C)[C@@H]1C ZINC001700880417 1202364641 /nfs/dbraw/zinc/36/46/41/1202364641.db2.gz LWTCNLWKBNYBGI-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN CCCCC(=O)N[C@@H]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001700894736 1202367091 /nfs/dbraw/zinc/36/70/91/1202367091.db2.gz FOJSGWWKGZUHDD-MAUKXSAKSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001700979073 1202375501 /nfs/dbraw/zinc/37/55/01/1202375501.db2.gz FJKRSPQKDYQRHL-MRXNPFEDSA-N 0 3 304.434 3.093 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)c1ccccc1C)C(C)C ZINC001700979623 1202375959 /nfs/dbraw/zinc/37/59/59/1202375959.db2.gz FESFLHCKKUVGNH-GOSISDBHSA-N 0 3 314.473 3.291 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OC1CCCCCC1 ZINC001707049029 1202569209 /nfs/dbraw/zinc/56/92/09/1202569209.db2.gz FQCUJRQBBPJVBZ-DLBZAZTESA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)(F)F ZINC001707049625 1202569223 /nfs/dbraw/zinc/56/92/23/1202569223.db2.gz AIOMSIABSZLYAE-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC001707050134 1202569323 /nfs/dbraw/zinc/56/93/23/1202569323.db2.gz COKKTUHCDMEHDA-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001707054829 1202569973 /nfs/dbraw/zinc/56/99/73/1202569973.db2.gz LXGXKPLGWNHWKL-MSOLQXFVSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CCCCC1 ZINC001707060332 1202570746 /nfs/dbraw/zinc/57/07/46/1202570746.db2.gz UQVFBVPIISLGAT-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001707084391 1202572454 /nfs/dbraw/zinc/57/24/54/1202572454.db2.gz HVXMKRSYFYSLRP-UMVBOHGHSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001707091247 1202572968 /nfs/dbraw/zinc/57/29/68/1202572968.db2.gz WLNYOFYNBBEMCC-HDJSIYSDSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)c2ccccc2C)C1 ZINC001707091517 1202572997 /nfs/dbraw/zinc/57/29/97/1202572997.db2.gz CWCVCFXCBKHYID-BZUAXINKSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001707110983 1202573596 /nfs/dbraw/zinc/57/35/96/1202573596.db2.gz LFSGNTXREWMUDR-DZGCQCFKSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)C(CC)CC)C2)CC1 ZINC001707124228 1202573831 /nfs/dbraw/zinc/57/38/31/1202573831.db2.gz IVYUMOBQPXFJKC-IAGOWNOFSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCCC)C(C)(C)[C@@H]21 ZINC001707188429 1202575794 /nfs/dbraw/zinc/57/57/94/1202575794.db2.gz RDRIAAHIYDJGHL-KBAYOESNSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC)c1ccccc1 ZINC001707202410 1202576546 /nfs/dbraw/zinc/57/65/46/1202576546.db2.gz AYLXIFINPGZXID-HSALFYBXSA-N 0 3 324.468 3.339 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC[C@@H](C)c2ccccc2)[C@H]1C ZINC001707260620 1202578844 /nfs/dbraw/zinc/57/88/44/1202578844.db2.gz IEFNYGMAVRKYIE-NUJGCVRESA-N 0 3 300.446 3.335 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001707275820 1202579991 /nfs/dbraw/zinc/57/99/91/1202579991.db2.gz VXFXWFYUHLQLIX-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001707278972 1202580288 /nfs/dbraw/zinc/58/02/88/1202580288.db2.gz SXEWROFQLAXHDD-GBESFXJTSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ncccc1C ZINC001707442000 1202585213 /nfs/dbraw/zinc/58/52/13/1202585213.db2.gz RHABRADYEDOHOU-WMZOPIPTSA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001712986388 1202608202 /nfs/dbraw/zinc/60/82/02/1202608202.db2.gz FVOSDJNKVUJXNI-UHFFFAOYSA-N 0 3 320.436 3.429 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001713000848 1202609371 /nfs/dbraw/zinc/60/93/71/1202609371.db2.gz WFUFLYOKYHHYCE-VXGBXAGGSA-N 0 3 308.800 3.143 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1CC1 ZINC001713039084 1202611865 /nfs/dbraw/zinc/61/18/65/1202611865.db2.gz NIFFFKBAMHUJOI-IYARVYRRSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCOCCN1CCC(N(C)C(=O)CCC2CCCC2)CC1 ZINC001713050868 1202612694 /nfs/dbraw/zinc/61/26/94/1202612694.db2.gz HNYMDHLEAIZRLV-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001713084255 1202615497 /nfs/dbraw/zinc/61/54/97/1202615497.db2.gz VYOJPBSILMJQHW-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)CCCCCC)CC1 ZINC001713097723 1202616824 /nfs/dbraw/zinc/61/68/24/1202616824.db2.gz YMDREKVREYVRJT-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cnc(C)s2)CC1 ZINC001713099724 1202616969 /nfs/dbraw/zinc/61/69/69/1202616969.db2.gz ADBWTQPJKKWCEM-UHFFFAOYSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001713142858 1202621627 /nfs/dbraw/zinc/62/16/27/1202621627.db2.gz JZGSJOXBUMFFNO-BDXSIMOUSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001713166682 1202623431 /nfs/dbraw/zinc/62/34/31/1202623431.db2.gz FREUPQQRDYRXGM-QAQDUYKDSA-N 0 3 316.420 3.065 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001713179992 1202624797 /nfs/dbraw/zinc/62/47/97/1202624797.db2.gz UQQMZIRVWYWSQH-HNSVSWJLSA-N 0 3 310.457 3.448 20 30 DGEDHN C[C@H]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001713198761 1202625867 /nfs/dbraw/zinc/62/58/67/1202625867.db2.gz HUWKRGJZBXHNOX-FRYIKTPZSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2cc(C)ccc2F)C1 ZINC001713211092 1202627426 /nfs/dbraw/zinc/62/74/26/1202627426.db2.gz CXGIRRYDZZGZCU-MRXNPFEDSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001713214985 1202627911 /nfs/dbraw/zinc/62/79/11/1202627911.db2.gz AUZJYYCCJWCVTM-HNNXBMFYSA-N 0 3 306.475 3.433 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CSCCC ZINC001713269716 1202633544 /nfs/dbraw/zinc/63/35/44/1202633544.db2.gz JEDMNMBZFOGBKA-HOTGVXAUSA-N 0 3 310.507 3.161 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(CC)CC ZINC001713271444 1202633844 /nfs/dbraw/zinc/63/38/44/1202633844.db2.gz JAYFPFYOPNEOCB-ROUUACIJSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCCC ZINC001713271226 1202633865 /nfs/dbraw/zinc/63/38/65/1202633865.db2.gz ZHCLHOYFILZRTQ-MSOLQXFVSA-N 0 3 304.478 3.436 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1cc2ccccc2o1 ZINC001713328676 1202639511 /nfs/dbraw/zinc/63/95/11/1202639511.db2.gz UFHQUZJWHHTKFX-ZDUSSCGKSA-N 0 3 300.402 3.239 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2cccc(F)c2)CC1 ZINC001713337298 1202640453 /nfs/dbraw/zinc/64/04/53/1202640453.db2.gz MSGAHUKGLSRAQP-CQSZACIVSA-N 0 3 304.409 3.166 20 30 DGEDHN CCCC(=O)N[C@H]1CCC[C@@H](NCc2cc(F)ccc2C#N)C1 ZINC001713366736 1202642098 /nfs/dbraw/zinc/64/20/98/1202642098.db2.gz GGJSATMFONGBDZ-SJORKVTESA-N 0 3 317.408 3.014 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001713397862 1202645142 /nfs/dbraw/zinc/64/51/42/1202645142.db2.gz OCSJSWTXQRQWEQ-SLFFLAALSA-N 0 3 324.468 3.045 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2sccc2C(C)C)C1 ZINC001713401398 1202645996 /nfs/dbraw/zinc/64/59/96/1202645996.db2.gz QCKBJAAREUDQKM-OAHLLOKOSA-N 0 3 318.486 3.431 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001713419108 1202647680 /nfs/dbraw/zinc/64/76/80/1202647680.db2.gz STLQMZIRNWLQSS-RBSFLKMASA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1ccccc1C ZINC001713422060 1202647968 /nfs/dbraw/zinc/64/79/68/1202647968.db2.gz DWYQGVYYNNNWQK-LSDHHAIUSA-N 0 3 308.853 3.335 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)/C=C(/C)C1CC1 ZINC001713426818 1202648727 /nfs/dbraw/zinc/64/87/27/1202648727.db2.gz RQYULSCGXOAWAN-DVFVSVACSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1CC(F)(F)C1 ZINC001713430055 1202649068 /nfs/dbraw/zinc/64/90/68/1202649068.db2.gz PTJRWFUQSWLQIW-CYBMUJFWSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001713466213 1202653802 /nfs/dbraw/zinc/65/38/02/1202653802.db2.gz SZLHGMXWBZJSFH-SFHVURJKSA-N 0 3 306.425 3.306 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC001713474416 1202655602 /nfs/dbraw/zinc/65/56/02/1202655602.db2.gz XHBASKRHBMBJOL-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN CCN(CCNC(=O)[C@@H](C)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001713487063 1202658295 /nfs/dbraw/zinc/65/82/95/1202658295.db2.gz HAHAOUXPSALNJT-OAHLLOKOSA-N 0 3 315.461 3.179 20 30 DGEDHN CCN(CCNC(=O)[C@H](C)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001713487062 1202658405 /nfs/dbraw/zinc/65/84/05/1202658405.db2.gz HAHAOUXPSALNJT-HNNXBMFYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001713493238 1202659538 /nfs/dbraw/zinc/65/95/38/1202659538.db2.gz CQSBACMKVKTXJZ-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cscc1C(F)F ZINC001713546425 1202668172 /nfs/dbraw/zinc/66/81/72/1202668172.db2.gz LKUFHCFLZGFLJD-UHFFFAOYSA-N 0 3 314.401 3.151 20 30 DGEDHN CCCN(CCNC(=O)CC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001713546044 1202668204 /nfs/dbraw/zinc/66/82/04/1202668204.db2.gz VWSMPNNBBHVYPB-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN CC(C)CC(C)(C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001713652802 1202675237 /nfs/dbraw/zinc/67/52/37/1202675237.db2.gz OPLWTFACESNGFP-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1CC ZINC001713707570 1202679174 /nfs/dbraw/zinc/67/91/74/1202679174.db2.gz XRFOVDCRLQMCDR-KDURUIRLSA-N 0 3 312.457 3.390 20 30 DGEDHN CC/C(C)=C\C(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001713728503 1202683061 /nfs/dbraw/zinc/68/30/61/1202683061.db2.gz NWUYXPZEQBKYKX-TXSJJRPESA-N 0 3 324.468 3.223 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2ncccc2C)C1 ZINC001713751587 1202686394 /nfs/dbraw/zinc/68/63/94/1202686394.db2.gz ALOBAOBGCCEPQB-QGZVFWFLSA-N 0 3 315.461 3.027 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001713832265 1202693949 /nfs/dbraw/zinc/69/39/49/1202693949.db2.gz NSYCRSGIAZFNPX-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001713903595 1202700969 /nfs/dbraw/zinc/70/09/69/1202700969.db2.gz ZKVPUCPNZJZSSJ-XDNAFOTISA-N 0 3 302.462 3.373 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001713909567 1202701358 /nfs/dbraw/zinc/70/13/58/1202701358.db2.gz HUKYLNOPOOXPTE-NCOADZHNSA-N 0 3 304.478 3.453 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001713909568 1202701511 /nfs/dbraw/zinc/70/15/11/1202701511.db2.gz HUKYLNOPOOXPTE-NXOAAHMSSA-N 0 3 304.478 3.453 20 30 DGEDHN CC#CCCCC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001713914356 1202701747 /nfs/dbraw/zinc/70/17/47/1202701747.db2.gz SXMOVNXIKZBZOU-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001713916128 1202702126 /nfs/dbraw/zinc/70/21/26/1202702126.db2.gz FLJPOYHGXZBJBM-QGZVFWFLSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(F)F ZINC001713941215 1202704003 /nfs/dbraw/zinc/70/40/03/1202704003.db2.gz VHRKBNGZZZWHEE-RDBSUJKOSA-N 0 3 314.420 3.308 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccccc12 ZINC001713943584 1202704361 /nfs/dbraw/zinc/70/43/61/1202704361.db2.gz TZNIPZISEFCCEZ-GJZGRUSLSA-N 0 3 310.397 3.298 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCc2ccc(C)s2)C1 ZINC001714029160 1202738134 /nfs/dbraw/zinc/73/81/34/1202738134.db2.gz JHCPWLRUYZUBKN-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccccc2CC)C1 ZINC001714041598 1202747098 /nfs/dbraw/zinc/74/70/98/1202747098.db2.gz ZLZCALJROFVPSG-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001714053944 1202755207 /nfs/dbraw/zinc/75/52/07/1202755207.db2.gz QSEXXOABDZGBAJ-ICSRJNTNSA-N 0 3 324.468 3.292 20 30 DGEDHN CC/C=C(/C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001714062484 1202758429 /nfs/dbraw/zinc/75/84/29/1202758429.db2.gz TVUDBHKSJCDDFK-CFQIGZHASA-N 0 3 316.420 3.018 20 30 DGEDHN CC[C@H](CNC(=O)[C@H](C)C1CCC1)NCc1ccc(C#N)s1 ZINC001714082118 1202765171 /nfs/dbraw/zinc/76/51/71/1202765171.db2.gz HTJWYFCYDKCVLC-TZMCWYRMSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001714118315 1202788430 /nfs/dbraw/zinc/78/84/30/1202788430.db2.gz OTPGRAKZTXRPQK-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN CCC(=O)N1CCCC[C@H]1CNCC#Cc1cccc(Cl)c1 ZINC001714120113 1202789343 /nfs/dbraw/zinc/78/93/43/1202789343.db2.gz WUCWQHWNNWODGZ-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148218 1202802518 /nfs/dbraw/zinc/80/25/18/1202802518.db2.gz QRJYQAYEHJLIQD-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148218 1202802525 /nfs/dbraw/zinc/80/25/25/1202802525.db2.gz QRJYQAYEHJLIQD-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2CC(C)(C)C2)C1 ZINC001714154802 1202808391 /nfs/dbraw/zinc/80/83/91/1202808391.db2.gz ZNWJPDXDLUVEBY-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CCC(=O)NC1CCC(NCc2nc(C)cs2)CC1 ZINC001714190207 1202824479 /nfs/dbraw/zinc/82/44/79/1202824479.db2.gz MJRYHXJDKBVAPK-UHFFFAOYSA-N 0 3 321.490 3.325 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001714308963 1202875878 /nfs/dbraw/zinc/87/58/78/1202875878.db2.gz KFAZPOURFALPKN-ZDUSSCGKSA-N 0 3 306.837 3.195 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C(C)(C)C2CCCC2)cc1 ZINC001714319999 1202880217 /nfs/dbraw/zinc/88/02/17/1202880217.db2.gz AQTRKSGCJRBNLA-UHFFFAOYSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccccc2C)cc1 ZINC001714318756 1202880513 /nfs/dbraw/zinc/88/05/13/1202880513.db2.gz VPBIBJXAUOQCPD-UHFFFAOYSA-N 0 3 306.409 3.038 20 30 DGEDHN CC#CCCCC(=O)NCCC1CCN(C[C@H](F)CC)CC1 ZINC001714328643 1202884982 /nfs/dbraw/zinc/88/49/82/1202884982.db2.gz JJGDTDLUIXKYPA-QGZVFWFLSA-N 0 3 310.457 3.146 20 30 DGEDHN CCCCC(=O)N[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001714390665 1202908759 /nfs/dbraw/zinc/90/87/59/1202908759.db2.gz KHPZGIUEQWAKHY-ROUUACIJSA-N 0 3 313.445 3.265 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001714399253 1202912234 /nfs/dbraw/zinc/91/22/34/1202912234.db2.gz YYKBINWHLHRHNC-CITTYJJUSA-N 0 3 311.429 3.041 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC001714447888 1202939740 /nfs/dbraw/zinc/93/97/40/1202939740.db2.gz CBPUACAKEVIHOG-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN CCC[C@H](C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001714459842 1202948572 /nfs/dbraw/zinc/94/85/72/1202948572.db2.gz JJPJASFXHBUUCW-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(Cl)c1C ZINC001714471060 1202952589 /nfs/dbraw/zinc/95/25/89/1202952589.db2.gz GJASTZAGDWERQE-NSHDSACASA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1ccccc1C ZINC001714491630 1202960184 /nfs/dbraw/zinc/96/01/84/1202960184.db2.gz JQUUGTMOFUZBLW-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2c1CCC2 ZINC001714503641 1202966754 /nfs/dbraw/zinc/96/67/54/1202966754.db2.gz IIZVWXSGWMYRDW-ZDUSSCGKSA-N 0 3 306.837 3.026 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(Cl)cc1Cl ZINC001714567853 1203009196 /nfs/dbraw/zinc/00/91/96/1203009196.db2.gz KLCZPBUZPPGCRR-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001714599817 1203038682 /nfs/dbraw/zinc/03/86/82/1203038682.db2.gz DINRBQSLUORBIT-SQSZOCELSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)Cc1ccccc1 ZINC001714616955 1203051854 /nfs/dbraw/zinc/05/18/54/1203051854.db2.gz FLIYSRVEDIPAHV-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001714618249 1203053469 /nfs/dbraw/zinc/05/34/69/1203053469.db2.gz GIOPGTLFEUKKMV-KRWDZBQOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001714624643 1203059201 /nfs/dbraw/zinc/05/92/01/1203059201.db2.gz YWMFWTYLRKNEGS-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001714644149 1203070457 /nfs/dbraw/zinc/07/04/57/1203070457.db2.gz KRDLXUMPBRZRSC-MSOLQXFVSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(C)C)nc1CC)C1CC1 ZINC001714674806 1203095760 /nfs/dbraw/zinc/09/57/60/1203095760.db2.gz QMNXNNPJBJEAAG-UHFFFAOYSA-N 0 3 315.461 3.148 20 30 DGEDHN CN(CCNCc1ccc(C#N)s1)C(=O)CC1(C)CCCC1 ZINC001714698783 1203104894 /nfs/dbraw/zinc/10/48/94/1203104894.db2.gz CNKZWVYLPRPKTP-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001714719663 1203109073 /nfs/dbraw/zinc/10/90/73/1203109073.db2.gz RTNSFCDIVREXDE-LBPRGKRZSA-N 0 3 310.388 3.114 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C[C@@H](C)c1ccco1)c1ccccc1 ZINC001714850665 1203151488 /nfs/dbraw/zinc/15/14/88/1203151488.db2.gz VUGHGAPSCRBJFQ-AEFFLSMTSA-N 0 3 324.424 3.244 20 30 DGEDHN C=CCN[C@@H](CNC(=O)COc1ccc(C)cc1)c1ccccc1 ZINC001714851534 1203152108 /nfs/dbraw/zinc/15/21/08/1203152108.db2.gz XIIMPSLMGYUYDZ-IBGZPJMESA-N 0 3 324.424 3.007 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001714899562 1203185870 /nfs/dbraw/zinc/18/58/70/1203185870.db2.gz PILQOGWFUJBPNQ-IBGZPJMESA-N 0 3 324.468 3.031 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C)c1ccccc1 ZINC001714993125 1203228483 /nfs/dbraw/zinc/22/84/83/1203228483.db2.gz YJGMDBLOGAPSGH-GBESFXJTSA-N 0 3 312.457 3.287 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2csnc2C)C1 ZINC001715003484 1203233169 /nfs/dbraw/zinc/23/31/69/1203233169.db2.gz WJHVJYPIHGHJGQ-CQSZACIVSA-N 0 3 309.479 3.226 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC2CCC(OC)CC2)C1 ZINC001715049728 1203254548 /nfs/dbraw/zinc/25/45/48/1203254548.db2.gz WQDSAIXKQCCHCN-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2ccccc2F)C1 ZINC001715069647 1203262498 /nfs/dbraw/zinc/26/24/98/1203262498.db2.gz DWICVKFZWBDFCH-OAHLLOKOSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H]2C[C@H]2C2CC2)CCCC1 ZINC001715097453 1203272195 /nfs/dbraw/zinc/27/21/95/1203272195.db2.gz JHICAVMQIJSVMR-GJZGRUSLSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)C1CCCC1)C1CC1 ZINC001715121435 1203278424 /nfs/dbraw/zinc/27/84/24/1203278424.db2.gz WNAUZSOBYFEIKW-CXAGYDPISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CCNCc2ocnc2C)C1 ZINC001715143154 1203284661 /nfs/dbraw/zinc/28/46/61/1203284661.db2.gz SOUYLYDRGPJJAE-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC(C)(C)C(F)(F)F)C1 ZINC001753448429 1203289686 /nfs/dbraw/zinc/28/96/86/1203289686.db2.gz UBESMFQDWYBNOH-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)CCC(=O)NCCC1CCN(Cc2conc2C)CC1 ZINC001715201752 1203295297 /nfs/dbraw/zinc/29/52/97/1203295297.db2.gz KAYWOQLAYMPEOO-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1nc(C)sc1C ZINC001715228289 1203299844 /nfs/dbraw/zinc/29/98/44/1203299844.db2.gz FUYXSQWLFGJBMM-LBPRGKRZSA-N 0 3 323.506 3.204 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cn(C(C)C)nc1C ZINC001715342258 1203320003 /nfs/dbraw/zinc/32/00/03/1203320003.db2.gz UULIBQOTVXPDRC-HNNXBMFYSA-N 0 3 320.481 3.065 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccns1)C1CCCCC1 ZINC001715398599 1203334605 /nfs/dbraw/zinc/33/46/05/1203334605.db2.gz NHZPEHNTBUUWNN-MRXNPFEDSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(C)C ZINC001715500032 1203353727 /nfs/dbraw/zinc/35/37/27/1203353727.db2.gz ZWZSEEPKWOAORJ-MCIONIFRSA-N 0 3 300.874 3.152 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1cncc(F)c1)C(C)C ZINC001715509118 1203355822 /nfs/dbraw/zinc/35/58/22/1203355822.db2.gz RETMSSUJSRDPLF-SJLPKXTDSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1cncc(F)c1)C(C)C ZINC001715509112 1203355829 /nfs/dbraw/zinc/35/58/29/1203355829.db2.gz RETMSSUJSRDPLF-AEFFLSMTSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2c1CCCC2 ZINC001715521062 1203359489 /nfs/dbraw/zinc/35/94/89/1203359489.db2.gz RHNJGCVZCWGYLE-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001715522793 1203360272 /nfs/dbraw/zinc/36/02/72/1203360272.db2.gz FOOFOPPISOYJEA-SFHVURJKSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001715545592 1203368754 /nfs/dbraw/zinc/36/87/54/1203368754.db2.gz QCRXVQSHNMXPQU-VZLFFANISA-N 0 3 310.869 3.264 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1C[C@H]1CC(C)C)C(C)C ZINC001715658387 1203378212 /nfs/dbraw/zinc/37/82/12/1203378212.db2.gz FPDSUFMRQOILBY-RBSFLKMASA-N 0 3 300.874 3.152 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1cc(F)ccc1F ZINC001715670545 1203379099 /nfs/dbraw/zinc/37/90/99/1203379099.db2.gz HLEPKAIAOGLSHQ-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNCc1cc(F)ccc1F ZINC001715670544 1203379218 /nfs/dbraw/zinc/37/92/18/1203379218.db2.gz HLEPKAIAOGLSHQ-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001715675476 1203379837 /nfs/dbraw/zinc/37/98/37/1203379837.db2.gz BCTGSLSUQZDZPC-WBMJQRKESA-N 0 3 309.479 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001715871604 1203399416 /nfs/dbraw/zinc/39/94/16/1203399416.db2.gz UKJKWULVHRJJRE-ONEGZZNKSA-N 0 3 318.848 3.458 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001715888106 1203401492 /nfs/dbraw/zinc/40/14/92/1203401492.db2.gz GKNYDUQDRYEXLG-XFCCUVRLSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)Cc2ccccc2)CCC1 ZINC001715940714 1203407606 /nfs/dbraw/zinc/40/76/06/1203407606.db2.gz KUBSHNPSCIHASF-UHFFFAOYSA-N 0 3 300.446 3.323 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001716024070 1203426692 /nfs/dbraw/zinc/42/66/92/1203426692.db2.gz CBFHMLKBCNPOTI-KBPBESRZSA-N 0 3 322.399 3.266 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC001716032787 1203428995 /nfs/dbraw/zinc/42/89/95/1203428995.db2.gz DMIGCHNQNCXIHZ-HXUWFJFHSA-N 0 3 314.473 3.148 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1cscn1 ZINC001716068604 1203438357 /nfs/dbraw/zinc/43/83/57/1203438357.db2.gz BSUWNHIMTGQHAH-DZGCQCFKSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001716329394 1203459285 /nfs/dbraw/zinc/45/92/85/1203459285.db2.gz BUMOMQGNPWVMSS-FUTAKVPZSA-N 0 3 316.420 3.287 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001716388647 1203464920 /nfs/dbraw/zinc/46/49/20/1203464920.db2.gz JGYGPRFUPFOYKZ-XIEDVDOYSA-N 0 3 318.848 3.142 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001716409413 1203468150 /nfs/dbraw/zinc/46/81/50/1203468150.db2.gz GVJOCYPRAVTRAT-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccc(F)cc2)cc1 ZINC001716489976 1203488654 /nfs/dbraw/zinc/48/86/54/1203488654.db2.gz SVHXCFXPKXHQTA-HNNXBMFYSA-N 0 3 324.399 3.057 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccc(F)cc2)cc1 ZINC001716489977 1203488923 /nfs/dbraw/zinc/48/89/23/1203488923.db2.gz SVHXCFXPKXHQTA-OAHLLOKOSA-N 0 3 324.399 3.057 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001716501881 1203493300 /nfs/dbraw/zinc/49/33/00/1203493300.db2.gz JJORLSVXDVHHLE-HUUCEWRRSA-N 0 3 304.434 3.100 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001716619830 1203507668 /nfs/dbraw/zinc/50/76/68/1203507668.db2.gz XOPPQYZZBNHVFE-SFHVURJKSA-N 0 3 316.420 3.004 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1CCCc1cccc(C)c1 ZINC001716645995 1203512255 /nfs/dbraw/zinc/51/22/55/1203512255.db2.gz UHXLWGJRVLAAAA-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001716649273 1203513547 /nfs/dbraw/zinc/51/35/47/1203513547.db2.gz FNNSPNFQWXBGGW-HKUYNNGSSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001716658729 1203515639 /nfs/dbraw/zinc/51/56/39/1203515639.db2.gz LQNPNMBNVDWJOV-KRWDZBQOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001716669375 1203521350 /nfs/dbraw/zinc/52/13/50/1203521350.db2.gz NKAJFGGJZIQSNV-KRWDZBQOSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001716670936 1203521945 /nfs/dbraw/zinc/52/19/45/1203521945.db2.gz JQPAOMUKUMKRAR-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001716683835 1203524689 /nfs/dbraw/zinc/52/46/89/1203524689.db2.gz RVMIIDSFPXMUEM-UHFFFAOYSA-N 0 3 304.409 3.229 20 30 DGEDHN C[C@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001716793960 1203543773 /nfs/dbraw/zinc/54/37/73/1203543773.db2.gz CVVISELCMSEHQA-UONOGXRCSA-N 0 3 317.408 3.017 20 30 DGEDHN C#CCN(C(=O)CCc1ccccc1)C1CCN(CC(=C)C)CC1 ZINC001716811218 1203546062 /nfs/dbraw/zinc/54/60/62/1203546062.db2.gz RMJPDWMDTNGMDX-UHFFFAOYSA-N 0 3 324.468 3.122 20 30 DGEDHN CCCC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001716813944 1203546412 /nfs/dbraw/zinc/54/64/12/1203546412.db2.gz RRCWQJUCOYRWCP-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cccnc1)C1CCCC1 ZINC001716817311 1203547495 /nfs/dbraw/zinc/54/74/95/1203547495.db2.gz ILSCBPIQPWSXSY-SFHVURJKSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001716830674 1203549310 /nfs/dbraw/zinc/54/93/10/1203549310.db2.gz VFOVRGSJIBZJHD-WMZOPIPTSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2sc(C)cc2OC)C1 ZINC001716900791 1203566240 /nfs/dbraw/zinc/56/62/40/1203566240.db2.gz UXIZAJXLONRWKG-KRWDZBQOSA-N 0 3 322.474 3.083 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C2CCN(CC#CC)CC2)C1 ZINC001716952781 1203569060 /nfs/dbraw/zinc/56/90/60/1203569060.db2.gz LPHXJHWSURQEGS-LJQANCHMSA-N 0 3 316.489 3.317 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C(C)(C)F)c1ccccc1CC ZINC001716953047 1203569157 /nfs/dbraw/zinc/56/91/57/1203569157.db2.gz SIXIISSMBLIBSI-MRXNPFEDSA-N 0 3 306.425 3.320 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001717091967 1203583801 /nfs/dbraw/zinc/58/38/01/1203583801.db2.gz WXBGABNJOXUVPN-KBMXLJTQSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001717109412 1203585563 /nfs/dbraw/zinc/58/55/63/1203585563.db2.gz CYQWGJBAFQZSBF-HNNXBMFYSA-N 0 3 310.869 3.314 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(C)s2)cc1 ZINC001717116134 1203586602 /nfs/dbraw/zinc/58/66/02/1203586602.db2.gz HSKZYDHGHQNAJE-CQSZACIVSA-N 0 3 312.438 3.270 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC001717116306 1203586828 /nfs/dbraw/zinc/58/68/28/1203586828.db2.gz QYBKLOXNGQFELA-WQANXHIZSA-N 0 3 310.441 3.023 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001717120853 1203587939 /nfs/dbraw/zinc/58/79/39/1203587939.db2.gz LPIOFXPIMRHNAX-SHTZXODSSA-N 0 3 319.449 3.042 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(F)c(C(F)F)c2)CCC1 ZINC001717151642 1203591946 /nfs/dbraw/zinc/59/19/46/1203591946.db2.gz XBFPDMAFCCDFCG-UHFFFAOYSA-N 0 3 324.346 3.029 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001717201230 1203598997 /nfs/dbraw/zinc/59/89/97/1203598997.db2.gz WUKJCALIPQLXOH-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2cscc2s1 ZINC001717208554 1203601992 /nfs/dbraw/zinc/60/19/92/1203601992.db2.gz NRFOXYCZZKWVLD-UHFFFAOYSA-N 0 3 320.483 3.380 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)c1ccco1 ZINC001717361417 1203625191 /nfs/dbraw/zinc/62/51/91/1203625191.db2.gz QZRLKTOFQBUQLV-JNAXZKDPSA-N 0 3 324.424 3.331 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(C)[nH]c2ccccc21 ZINC001717368328 1203627558 /nfs/dbraw/zinc/62/75/58/1203627558.db2.gz BKNVPNCHZYJJQU-OAHLLOKOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nccc2ccsc21 ZINC001717368031 1203627740 /nfs/dbraw/zinc/62/77/40/1203627740.db2.gz WPUAXGLQZDKRGS-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(CCF)C2)C1 ZINC001717379759 1203632543 /nfs/dbraw/zinc/63/25/43/1203632543.db2.gz ZLKPXXOALVNEFU-JKSUJKDBSA-N 0 3 310.457 3.119 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001717407948 1203638149 /nfs/dbraw/zinc/63/81/49/1203638149.db2.gz DOXYOFOLFFMQPJ-OLZOCXBDSA-N 0 3 310.388 3.304 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1ccccc1F ZINC001717487240 1203661703 /nfs/dbraw/zinc/66/17/03/1203661703.db2.gz QCBBCNGPCOUOER-BEFAXECRSA-N 0 3 320.452 3.407 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)CC(C)C ZINC001717529027 1203672858 /nfs/dbraw/zinc/67/28/58/1203672858.db2.gz MOESMMUEIXKRMK-IBGZPJMESA-N 0 3 314.473 3.349 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)C1CC=CC1 ZINC001717529681 1203673067 /nfs/dbraw/zinc/67/30/67/1203673067.db2.gz YVXUKPMXTSJYCB-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001717540346 1203677613 /nfs/dbraw/zinc/67/76/13/1203677613.db2.gz NXHDOXPQPWALAG-LJQANCHMSA-N 0 3 324.468 3.102 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2ccc(C)cc2C)C1 ZINC001717555150 1203680994 /nfs/dbraw/zinc/68/09/94/1203680994.db2.gz PSOCRQZBLGUCDR-QGZVFWFLSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717555141 1203681025 /nfs/dbraw/zinc/68/10/25/1203681025.db2.gz PMGLWDXGLIETBP-GFCCVEGCSA-N 0 3 314.420 3.071 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@]2(C1)CN(CC(CC)CC)CCO2 ZINC001717574008 1203683603 /nfs/dbraw/zinc/68/36/03/1203683603.db2.gz XBOAQGFZKVAHCL-IBGZPJMESA-N 0 3 322.493 3.082 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2)CC1(C)C ZINC001717580675 1203685062 /nfs/dbraw/zinc/68/50/62/1203685062.db2.gz YKFVXSSAWRJRJY-FUHWJXTLSA-N 0 3 312.457 3.234 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC(C)C)CCC2)C(C)(C)C1 ZINC001717582967 1203685793 /nfs/dbraw/zinc/68/57/93/1203685793.db2.gz TZMLIKNTQYVAAX-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\c2ccc(F)cc2)C(C)(C)C1 ZINC001717582612 1203685835 /nfs/dbraw/zinc/68/58/35/1203685835.db2.gz MTKZFQWREMXFNK-OSJSJHBBSA-N 0 3 316.420 3.242 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2ccc(F)cc2)C(C)(C)C1 ZINC001717582613 1203686018 /nfs/dbraw/zinc/68/60/18/1203686018.db2.gz MTKZFQWREMXFNK-RTRPANQVSA-N 0 3 316.420 3.242 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CCCCC2)C(C)(C)C1 ZINC001717588650 1203687701 /nfs/dbraw/zinc/68/77/01/1203687701.db2.gz FAKSLPRWCRYIFA-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3(CC)CC3)C[C@@H]2C1 ZINC001717623872 1203690727 /nfs/dbraw/zinc/69/07/27/1203690727.db2.gz OALKWVCTBCDYIH-ZNMIVQPWSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(N(C)Cc2cnoc2C)CC1 ZINC001717703226 1203701995 /nfs/dbraw/zinc/70/19/95/1203701995.db2.gz OCDMVFGOBWLVGX-HNNXBMFYSA-N 0 3 319.449 3.008 20 30 DGEDHN C=C1CCC(C(=O)N2CCC(N(C)C/C=C/Cl)CC2)CC1 ZINC001717703966 1203702457 /nfs/dbraw/zinc/70/24/57/1203702457.db2.gz PMFSAQBQPJSBML-XCVCLJGOSA-N 0 3 310.869 3.408 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC001717748985 1203709377 /nfs/dbraw/zinc/70/93/77/1203709377.db2.gz UCCZWVRWGKZXIM-AWEZNQCLSA-N 0 3 314.454 3.283 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001717794177 1203712979 /nfs/dbraw/zinc/71/29/79/1203712979.db2.gz TZHYETVROXKIRJ-VXGBXAGGSA-N 0 3 305.249 3.241 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001717798545 1203713745 /nfs/dbraw/zinc/71/37/45/1203713745.db2.gz PTRLRLMEUFPYGS-RHSMWYFYSA-N 0 3 304.409 3.261 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc3ccc(CC)cc23)C1 ZINC001717812603 1203715484 /nfs/dbraw/zinc/71/54/84/1203715484.db2.gz IUDNUXPJTDEJIG-ZBFHGGJFSA-N 0 3 324.424 3.211 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(C)cc2C)[C@@H]1C ZINC001717855754 1203722812 /nfs/dbraw/zinc/72/28/12/1203722812.db2.gz JVIFSYIGEYVBOE-PKOBYXMFSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cccc(Cl)c2)[C@@H]1C ZINC001717855645 1203722946 /nfs/dbraw/zinc/72/29/46/1203722946.db2.gz IWDMGWSMVBJMII-WMLDXEAASA-N 0 3 320.864 3.428 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001717894933 1203729287 /nfs/dbraw/zinc/72/92/87/1203729287.db2.gz AMEQNYDATDCOFW-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCC(=O)N[C@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001717966733 1203737523 /nfs/dbraw/zinc/73/75/23/1203737523.db2.gz PUEMPAVKRUDHFK-MRXNPFEDSA-N 0 3 321.440 3.198 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001718031278 1203745052 /nfs/dbraw/zinc/74/50/52/1203745052.db2.gz OFFPEPKFWGNIKO-KRWDZBQOSA-N 0 3 308.441 3.229 20 30 DGEDHN C#CCN(C[C@H](O)c1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC000172287544 1203865437 /nfs/dbraw/zinc/86/54/37/1203865437.db2.gz KKZSLDSGEAYRQL-RTWAWAEBSA-N 0 3 321.420 3.351 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1cc(Cl)ccc1F ZINC001722984714 1203955378 /nfs/dbraw/zinc/95/53/78/1203955378.db2.gz GZQSGIJXFNMMNH-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C(C)C)nc1C ZINC001723124817 1203958121 /nfs/dbraw/zinc/95/81/21/1203958121.db2.gz YZFXOQPKJKKZRX-UHFFFAOYSA-N 0 3 323.868 3.318 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001723456747 1203974019 /nfs/dbraw/zinc/97/40/19/1203974019.db2.gz DOPVOMRRWKEJOV-BRWVUGGUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001723468471 1203976006 /nfs/dbraw/zinc/97/60/06/1203976006.db2.gz BBTIZJASIDSBOR-GOEBONIOSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001723473222 1203976877 /nfs/dbraw/zinc/97/68/77/1203976877.db2.gz KQPOBFJKXHUIHY-TZMCWYRMSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H]1CCN1CCC)c1ccccc1 ZINC001723483003 1203977878 /nfs/dbraw/zinc/97/78/78/1203977878.db2.gz NKPKERNTKPBXNP-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001723544596 1203981661 /nfs/dbraw/zinc/98/16/61/1203981661.db2.gz KYMPXESAGBTDIW-UHFFFAOYSA-N 0 3 300.446 3.336 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001723561233 1203982872 /nfs/dbraw/zinc/98/28/72/1203982872.db2.gz IWVOJOYLJDVSEH-RTBURBONSA-N 0 3 324.468 3.222 20 30 DGEDHN C=C(C)CN1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC(C)=O)C1 ZINC001723610143 1203985353 /nfs/dbraw/zinc/98/53/53/1203985353.db2.gz ZJRFJJKEJHTEAL-ROUUACIJSA-N 0 3 320.477 3.025 20 30 DGEDHN C=CCOCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001723660143 1203988162 /nfs/dbraw/zinc/98/81/62/1203988162.db2.gz MXCIZWAXWJKKNP-HDICACEKSA-N 0 3 322.493 3.081 20 30 DGEDHN CCC1(C(=O)N2CCC[C@H]2CNCC#Cc2ccccc2)CCC1 ZINC001723931174 1203998995 /nfs/dbraw/zinc/99/89/95/1203998995.db2.gz LINZXAXYEZCNOS-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCc1cc(C)ns1 ZINC001723937635 1203999145 /nfs/dbraw/zinc/99/91/45/1203999145.db2.gz NICJPRCJNIUKJR-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001724126267 1204006126 /nfs/dbraw/zinc/00/61/26/1204006126.db2.gz QNJULQKZSADKRQ-JGZYNSJSSA-N 0 3 322.880 3.247 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)CCC)C2 ZINC001724125295 1204006522 /nfs/dbraw/zinc/00/65/22/1204006522.db2.gz CKIMANUYSMGYPS-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001724303001 1204018904 /nfs/dbraw/zinc/01/89/04/1204018904.db2.gz PMCSLEWIWQNAGY-QAQDUYKDSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001724301895 1204019074 /nfs/dbraw/zinc/01/90/74/1204019074.db2.gz ICLUQMYHCWWAIC-UHFFFAOYSA-N 0 3 312.457 3.077 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2c(C)cccc2C)C1 ZINC001724334869 1204023100 /nfs/dbraw/zinc/02/31/00/1204023100.db2.gz WRSFOHFFSRXLJA-FQEVSTJZSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccc(C#N)cc1 ZINC001724646867 1204035717 /nfs/dbraw/zinc/03/57/17/1204035717.db2.gz KIOGBDBHAQOJTI-RBUKOAKNSA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001724705758 1204038695 /nfs/dbraw/zinc/03/86/95/1204038695.db2.gz UTVMXHQRLYUQHV-OAHLLOKOSA-N 0 3 310.869 3.458 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H](F)C(C)C ZINC001724737968 1204041265 /nfs/dbraw/zinc/04/12/65/1204041265.db2.gz GUIQVDBZNQIOJI-QGZVFWFLSA-N 0 3 306.425 3.305 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](CC)CC2CCCC2)CCC1 ZINC001724796586 1204048514 /nfs/dbraw/zinc/04/85/14/1204048514.db2.gz NJTLCRIBVICTRX-QGZVFWFLSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001724859737 1204060410 /nfs/dbraw/zinc/06/04/10/1204060410.db2.gz IJLQKCUEKGTIFV-SFHVURJKSA-N 0 3 318.436 3.123 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC(C)=C(C)C)C2 ZINC001724895147 1204063996 /nfs/dbraw/zinc/06/39/96/1204063996.db2.gz AFAALYNSWOMSBG-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(C)(NCc2cnc(C)o2)CC1 ZINC001724955515 1204070137 /nfs/dbraw/zinc/07/01/37/1204070137.db2.gz BUMOHLNNYAIQIJ-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccc(C)s2)C(C)(C)C1 ZINC001724980668 1204073929 /nfs/dbraw/zinc/07/39/29/1204073929.db2.gz YKLACJYTKMOQSK-MRXNPFEDSA-N 0 3 320.502 3.392 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001724995496 1204076791 /nfs/dbraw/zinc/07/67/91/1204076791.db2.gz OIGVRZSETMPXHT-GOEBONIOSA-N 0 3 304.459 3.021 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)C[C@@H]1C ZINC001724998665 1204077334 /nfs/dbraw/zinc/07/73/34/1204077334.db2.gz WGZKRWWYMHWCKX-PKOBYXMFSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)C#CC1CC1 ZINC001725014123 1204079788 /nfs/dbraw/zinc/07/97/88/1204079788.db2.gz REIZDEDQXJSGTO-FQEVSTJZSA-N 0 3 322.452 3.082 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001725034708 1204082434 /nfs/dbraw/zinc/08/24/34/1204082434.db2.gz KDOLNNXSEBECJI-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001725073707 1204089631 /nfs/dbraw/zinc/08/96/31/1204089631.db2.gz GTYCCEZSAOIBII-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001725073873 1204089724 /nfs/dbraw/zinc/08/97/24/1204089724.db2.gz XDVOSOVISUQNDR-KTAKPFMOSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C23CCC(CC2)CC3)C1 ZINC001725077244 1204089914 /nfs/dbraw/zinc/08/99/14/1204089914.db2.gz XYBVWCWGWYWFCL-UHFFFAOYSA-N 0 3 310.869 3.194 20 30 DGEDHN Cc1cc(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)oc1C ZINC001725085375 1204091476 /nfs/dbraw/zinc/09/14/76/1204091476.db2.gz HYXOEVWBUDBTNS-HZPDHXFCSA-N 0 3 324.424 3.045 20 30 DGEDHN Cc1cc(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)oc1C ZINC001725085372 1204091484 /nfs/dbraw/zinc/09/14/84/1204091484.db2.gz HYXOEVWBUDBTNS-HOTGVXAUSA-N 0 3 324.424 3.045 20 30 DGEDHN C[C@@H](NC(=O)C1(C)CCCC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001725103474 1204095139 /nfs/dbraw/zinc/09/51/39/1204095139.db2.gz MVNHSCSQHHPWDA-QWHCGFSZSA-N 0 3 319.474 3.183 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725177285 1204112236 /nfs/dbraw/zinc/11/22/36/1204112236.db2.gz LQTZWCRHKVTQGP-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H](C)N(C)CC=C(C)C)c1ccccc1 ZINC001725197873 1204118068 /nfs/dbraw/zinc/11/80/68/1204118068.db2.gz WNCIILMGTIYHDS-SJLPKXTDSA-N 0 3 300.446 3.359 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1(CCOCC)CCC1 ZINC001725235695 1204123774 /nfs/dbraw/zinc/12/37/74/1204123774.db2.gz GQSZJYFMXLNCNI-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCCCC(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001725350374 1204139610 /nfs/dbraw/zinc/13/96/10/1204139610.db2.gz JBQCQVIDYSJJNC-RZDIXWSQSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2nc(C)sc2C)C1 ZINC001725359030 1204140347 /nfs/dbraw/zinc/14/03/47/1204140347.db2.gz DWPHHZCQLPBJAT-SHTZXODSSA-N 0 3 321.490 3.101 20 30 DGEDHN C[C@H](CCCNCC=C(Cl)Cl)NC(=O)C#CC(C)(C)C ZINC001725388463 1204144340 /nfs/dbraw/zinc/14/43/40/1204144340.db2.gz QBBYBLGRHLUIFO-GFCCVEGCSA-N 0 3 319.276 3.229 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001725592030 1204174366 /nfs/dbraw/zinc/17/43/66/1204174366.db2.gz LYIPHUKTFTXKSQ-BUPXIBQPSA-N 0 3 310.441 3.001 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001725592033 1204174501 /nfs/dbraw/zinc/17/45/01/1204174501.db2.gz LYIPHUKTFTXKSQ-WAQVGJNASA-N 0 3 310.441 3.001 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@H]1C ZINC001725596189 1204175748 /nfs/dbraw/zinc/17/57/48/1204175748.db2.gz LNIMREZMVDTKPS-ZBFHGGJFSA-N 0 3 304.409 3.261 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3cccc(C)c3)CCC[C@@H]12 ZINC001725606968 1204178759 /nfs/dbraw/zinc/17/87/59/1204178759.db2.gz JKQBTIBWKLVNOO-CTNGQTDRSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2sc(C)nc2C)C(C)(C)C1 ZINC001725658469 1204193515 /nfs/dbraw/zinc/19/35/15/1204193515.db2.gz SNSIJNPRAGUDLW-HNNXBMFYSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCC=CCCC1)C(C)C ZINC001725728386 1204202146 /nfs/dbraw/zinc/20/21/46/1204202146.db2.gz PYUAOXMGLUZEFJ-GOSISDBHSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C)c(C)c1)C(C)C ZINC001725733028 1204204085 /nfs/dbraw/zinc/20/40/85/1204204085.db2.gz MCIMULBHJWVSJO-UHFFFAOYSA-N 0 3 300.446 3.109 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(OC)cc1Cl)C(C)C ZINC001725733728 1204205507 /nfs/dbraw/zinc/20/55/07/1204205507.db2.gz TUNSLZIREBQAHF-UHFFFAOYSA-N 0 3 324.852 3.317 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)c1cccc(F)c1)C(C)C ZINC001725733154 1204205674 /nfs/dbraw/zinc/20/56/74/1204205674.db2.gz PHAOQYSURHZAEE-MRXNPFEDSA-N 0 3 318.436 3.121 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1CCC2(CC2)CC1)C(C)C ZINC001725762796 1204215694 /nfs/dbraw/zinc/21/56/94/1204215694.db2.gz FCRPZOVKQSWXDA-UHFFFAOYSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCC[C@H]1CCC)C(C)C ZINC001725769430 1204217764 /nfs/dbraw/zinc/21/77/64/1204217764.db2.gz VUAMGHQKYQONQQ-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001725771279 1204218382 /nfs/dbraw/zinc/21/83/82/1204218382.db2.gz LUZXZWAOPNDVLG-WUJZJPHMSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](CCCC)C(C)C)CC2)CC1 ZINC001725798357 1204224290 /nfs/dbraw/zinc/22/42/90/1204224290.db2.gz XQFLWMJISZXQGY-GOSISDBHSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](CC)c2ccc(F)cc2)CC1 ZINC001725829121 1204228299 /nfs/dbraw/zinc/22/82/99/1204228299.db2.gz NCXAQTPJEMYGFF-GOSISDBHSA-N 0 3 316.420 3.254 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC2(C=C)CCCCC2)CC1 ZINC001725827523 1204228895 /nfs/dbraw/zinc/22/88/95/1204228895.db2.gz ZBNSLGAODUGPEU-UHFFFAOYSA-N 0 3 302.462 3.447 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](CC)c2ccc(F)cc2)CC1 ZINC001725829123 1204228999 /nfs/dbraw/zinc/22/89/99/1204228999.db2.gz NCXAQTPJEMYGFF-SFHVURJKSA-N 0 3 316.420 3.254 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001725832043 1204229910 /nfs/dbraw/zinc/22/99/10/1204229910.db2.gz XPCUOLYRCYMXRH-VQFNDLOPSA-N 0 3 316.420 3.154 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001753094114 1204309203 /nfs/dbraw/zinc/30/92/03/1204309203.db2.gz XCBUFKIGFQESGW-CYBMUJFWSA-N 0 3 306.475 3.111 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CSCCC ZINC001731288847 1204363062 /nfs/dbraw/zinc/36/30/62/1204363062.db2.gz SAUYGNSXCZXJPH-ZIAGYGMSSA-N 0 3 318.914 3.241 20 30 DGEDHN CC#CCN(CCCNC(=O)C1(C)CCC(C)CC1)C1CC1 ZINC001731346006 1204379641 /nfs/dbraw/zinc/37/96/41/1204379641.db2.gz KMXYUGRIYXDOTA-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccc(F)nc2)CC1 ZINC001731383938 1204390691 /nfs/dbraw/zinc/39/06/91/1204390691.db2.gz LLGANWDXAUVYMX-UHFFFAOYSA-N 0 3 319.424 3.113 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)CC(C)C)CC1 ZINC001731385636 1204391553 /nfs/dbraw/zinc/39/15/53/1204391553.db2.gz MWJROXNRWRCXEE-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001731387306 1204392860 /nfs/dbraw/zinc/39/28/60/1204392860.db2.gz LZFBOWYSHSBDKE-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001731424960 1204408979 /nfs/dbraw/zinc/40/89/79/1204408979.db2.gz MWZUBYOHHWVZLA-QZKQXFQVSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001731426514 1204409615 /nfs/dbraw/zinc/40/96/15/1204409615.db2.gz ZUTFDKGNLKKPPN-HDICACEKSA-N 0 3 315.461 3.060 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCc2ccsc2)C1 ZINC001731446701 1204415563 /nfs/dbraw/zinc/41/55/63/1204415563.db2.gz BNYGQTSNTJOCDI-HDJSIYSDSA-N 0 3 312.866 3.060 20 30 DGEDHN CC1(C)CC(CC(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001731452187 1204416564 /nfs/dbraw/zinc/41/65/64/1204416564.db2.gz SJAITOSRCIKWMM-WGSAOQKQSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001731452927 1204417018 /nfs/dbraw/zinc/41/70/18/1204417018.db2.gz XZCOYKBATSRUAZ-IYARVYRRSA-N 0 3 312.457 3.101 20 30 DGEDHN O=C(CCC1CCCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001731469092 1204423523 /nfs/dbraw/zinc/42/35/23/1204423523.db2.gz CCIYRWMAYFKQJZ-BGYRXZFFSA-N 0 3 324.468 3.245 20 30 DGEDHN CCC1(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001731490347 1204429900 /nfs/dbraw/zinc/42/99/00/1204429900.db2.gz RKHAHSIMRRYRBZ-KDURUIRLSA-N 0 3 324.468 3.245 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CNCc2nc(C)c(C)s2)C1 ZINC001731515695 1204440178 /nfs/dbraw/zinc/44/01/78/1204440178.db2.gz XCKNFHXFVKDAPU-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001731525015 1204442444 /nfs/dbraw/zinc/44/24/44/1204442444.db2.gz QXYLDDQSDYVRKZ-OZYJXZHSSA-N 0 3 319.276 3.490 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1cccc(C)c1 ZINC001731537134 1204448456 /nfs/dbraw/zinc/44/84/56/1204448456.db2.gz GFXAHHQCSLSJLP-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001731540659 1204451050 /nfs/dbraw/zinc/45/10/50/1204451050.db2.gz BAODEQKJYVJADH-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCCCC(C)C)C1 ZINC001731560344 1204461871 /nfs/dbraw/zinc/46/18/71/1204461871.db2.gz VRQBNHVGVDHRLS-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001731565091 1204464213 /nfs/dbraw/zinc/46/42/13/1204464213.db2.gz ZMIMRZMILJIKDY-IQRFUGTFSA-N 0 3 312.457 3.049 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001731626334 1204488286 /nfs/dbraw/zinc/48/82/86/1204488286.db2.gz HXOVEFSZBUQSCH-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001731694431 1204507769 /nfs/dbraw/zinc/50/77/69/1204507769.db2.gz JIJHFSKUOVHCHY-CABCVRRESA-N 0 3 321.490 3.325 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001731714111 1204517561 /nfs/dbraw/zinc/51/75/61/1204517561.db2.gz YJCLTQLNWBXDGU-MSOLQXFVSA-N 0 3 304.478 3.315 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2cccnc2c1 ZINC001731737268 1204530001 /nfs/dbraw/zinc/53/00/01/1204530001.db2.gz YSFNJSKVKZBBGT-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001731783541 1204554092 /nfs/dbraw/zinc/55/40/92/1204554092.db2.gz NMVCJBUQDIBFCF-LJQANCHMSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2cc(F)ccc2s1 ZINC001731793587 1204562138 /nfs/dbraw/zinc/56/21/38/1204562138.db2.gz ZEDSOEAPYMUHLD-UHFFFAOYSA-N 0 3 306.406 3.278 20 30 DGEDHN C=CCCC(=O)NCCN(CC)[C@H]1CCc2c1cccc2F ZINC001731799964 1204568607 /nfs/dbraw/zinc/56/86/07/1204568607.db2.gz SKTCIBKPMSMHKF-KRWDZBQOSA-N 0 3 304.409 3.217 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC001731845603 1204600108 /nfs/dbraw/zinc/60/01/08/1204600108.db2.gz HFPMXPGEYGWAKY-VQFGERMISA-N 0 3 324.468 3.187 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001731855222 1204603350 /nfs/dbraw/zinc/60/33/50/1204603350.db2.gz MLCBASWURUGMOG-INIZCTEOSA-N 0 3 316.489 3.054 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC001732027187 1204654211 /nfs/dbraw/zinc/65/42/11/1204654211.db2.gz QGQKOCKILPMUIN-CRAIPNDOSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C)sc2C)C1 ZINC001732038913 1204661412 /nfs/dbraw/zinc/66/14/12/1204661412.db2.gz KHJADKNMBASJOU-MRXNPFEDSA-N 0 3 318.486 3.315 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCCCO2)C1 ZINC001732080564 1204684176 /nfs/dbraw/zinc/68/41/76/1204684176.db2.gz VMVSJDAQWRPTJU-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(F)c1 ZINC001732150872 1204714172 /nfs/dbraw/zinc/71/41/72/1204714172.db2.gz PFUWPOVRCGOMCU-JLSDUUJJSA-N 0 3 316.420 3.181 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001732151456 1204714385 /nfs/dbraw/zinc/71/43/85/1204714385.db2.gz ILYYHQOITCTEKR-MVYVIFSASA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(F)c1 ZINC001732150873 1204714816 /nfs/dbraw/zinc/71/48/16/1204714816.db2.gz PFUWPOVRCGOMCU-WBAXXEDZSA-N 0 3 316.420 3.181 20 30 DGEDHN C=C(C)CCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001732183475 1204737129 /nfs/dbraw/zinc/73/71/29/1204737129.db2.gz XNRGMFRWEFPALR-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC2(C=C)CCCCC2)C1 ZINC001732187374 1204738437 /nfs/dbraw/zinc/73/84/37/1204738437.db2.gz ZDKDUPRDOQHBCM-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001732187073 1204738668 /nfs/dbraw/zinc/73/86/68/1204738668.db2.gz WZDPCALNLCBHBB-JKSUJKDBSA-N 0 3 304.434 3.272 20 30 DGEDHN O=C(NC1(CNCC#Cc2ccccc2)CCCC1)C1CC=CC1 ZINC001732227268 1204761258 /nfs/dbraw/zinc/76/12/58/1204761258.db2.gz QZNKGLRRDGCSIF-UHFFFAOYSA-N 0 3 322.452 3.023 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CCCF)CCCC[C@H]1C ZINC001732255483 1204772529 /nfs/dbraw/zinc/77/25/29/1204772529.db2.gz DYCDIBSRDBRCGB-IUODEOHRSA-N 0 3 304.837 3.143 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001732274924 1204777746 /nfs/dbraw/zinc/77/77/46/1204777746.db2.gz WXZMRAZNEUNUOV-QWHCGFSZSA-N 0 3 320.811 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2oc(C)nc2C)CC1 ZINC001732311011 1204787082 /nfs/dbraw/zinc/78/70/82/1204787082.db2.gz JQBSQVGMTIJWGG-SHTZXODSSA-N 0 3 319.449 3.021 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)CC(C)(C)C ZINC001732411813 1204827669 /nfs/dbraw/zinc/82/76/69/1204827669.db2.gz RWMZBEOEBJKSFP-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001732434078 1204838335 /nfs/dbraw/zinc/83/83/35/1204838335.db2.gz BEKLMQQJOFICEQ-GOSISDBHSA-N 0 3 312.457 3.221 20 30 DGEDHN Cc1ccccc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001732453250 1204848863 /nfs/dbraw/zinc/84/88/63/1204848863.db2.gz OVUJBMYHMMTKEZ-SFHVURJKSA-N 0 3 320.436 3.097 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2nc(C)cs2)[C@@H](C)C1 ZINC001732487617 1204868566 /nfs/dbraw/zinc/86/85/66/1204868566.db2.gz MNERFQFPAWKHGQ-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN CC(C)C(=O)NC[C@@H](NCC#Cc1ccccc1Cl)C(C)C ZINC001732557504 1204895784 /nfs/dbraw/zinc/89/57/84/1204895784.db2.gz ZLBBCMHDCQZJNT-QGZVFWFLSA-N 0 3 320.864 3.078 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1cc(C)ns1)C(C)C ZINC001732560077 1204896710 /nfs/dbraw/zinc/89/67/10/1204896710.db2.gz UULLYXKDYKWKBK-HNNXBMFYSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCC2(CC2)C1)C(C)C ZINC001732563334 1204898189 /nfs/dbraw/zinc/89/81/89/1204898189.db2.gz RGDJDQCIOHFRDG-CABCVRRESA-N 0 3 312.885 3.440 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCNCc1c(F)cccc1Cl ZINC001732692252 1204929972 /nfs/dbraw/zinc/92/99/72/1204929972.db2.gz CLRLMPIJQVSVMF-ZDUSSCGKSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2ccccc2n1 ZINC001732747270 1204937362 /nfs/dbraw/zinc/93/73/62/1204937362.db2.gz XXTZLDMJTUXSGV-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001732759613 1204939183 /nfs/dbraw/zinc/93/91/83/1204939183.db2.gz MMFMQVKSOOQEMI-KSSFIOAISA-N 0 3 320.864 3.127 20 30 DGEDHN C=CCCC(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001732830485 1204949693 /nfs/dbraw/zinc/94/96/93/1204949693.db2.gz MDZCCJWYGIQNGN-BDUNBXCCSA-N 0 3 302.393 3.041 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1ccc(F)cc1 ZINC001732854625 1204951982 /nfs/dbraw/zinc/95/19/82/1204951982.db2.gz CYYYDUUYEMYTLY-AATRIKPKSA-N 0 3 304.409 3.190 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CN[C@@H](C)c1ccc(F)cc1 ZINC001732887079 1204954749 /nfs/dbraw/zinc/95/47/49/1204954749.db2.gz HPJYMQCSIDMRPW-AFNCTOJWSA-N 0 3 304.409 3.361 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001732955805 1204965475 /nfs/dbraw/zinc/96/54/75/1204965475.db2.gz CYPBMYDDQIQKGQ-OAHLLOKOSA-N 0 3 318.436 3.098 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1F ZINC001732994693 1204976351 /nfs/dbraw/zinc/97/63/51/1204976351.db2.gz RYVLOIQAUVCBAT-LSDHHAIUSA-N 0 3 304.409 3.175 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733035429 1204992432 /nfs/dbraw/zinc/99/24/32/1204992432.db2.gz FEZVGUWQLFOAJT-HNNXBMFYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)Cc2ccc(CF)cc2)C1 ZINC001733051522 1205003614 /nfs/dbraw/zinc/00/36/14/1205003614.db2.gz DDTCTRPZSYNRJA-HNNXBMFYSA-N 0 3 318.436 3.449 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001733223063 1205053108 /nfs/dbraw/zinc/05/31/08/1205053108.db2.gz HNLRODMNOQMQIR-PKOBYXMFSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001733227024 1205057185 /nfs/dbraw/zinc/05/71/85/1205057185.db2.gz WMRPIJMSKVOYEM-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001733229236 1205058126 /nfs/dbraw/zinc/05/81/26/1205058126.db2.gz VVFNQKUULYWCSZ-PBHICJAKSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001733228910 1205058227 /nfs/dbraw/zinc/05/82/27/1205058227.db2.gz SUXOGPAKMQNQDD-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001733236916 1205063218 /nfs/dbraw/zinc/06/32/18/1205063218.db2.gz LKCDAIZJQCCGKL-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001733237971 1205064556 /nfs/dbraw/zinc/06/45/56/1205064556.db2.gz RDNGDFWZSRNSRP-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCOC ZINC001733286163 1205082332 /nfs/dbraw/zinc/08/23/32/1205082332.db2.gz IPKONMSZBKIGFJ-CALCHBBNSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC001733322761 1205096104 /nfs/dbraw/zinc/09/61/04/1205096104.db2.gz VKVRMRKUBUVQRL-QAPCUYQASA-N 0 3 313.445 3.218 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001733400783 1205118255 /nfs/dbraw/zinc/11/82/55/1205118255.db2.gz YOAFXJCLCSQXJP-HXUWFJFHSA-N 0 3 312.457 3.222 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](CC)CCCC)CC1 ZINC001733450218 1205136554 /nfs/dbraw/zinc/13/65/54/1205136554.db2.gz DSHALVJAQMUBSB-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(F)c2C)C1 ZINC001733463082 1205144255 /nfs/dbraw/zinc/14/42/55/1205144255.db2.gz ZKKNYZWMCVHZFT-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001733662500 1205178954 /nfs/dbraw/zinc/17/89/54/1205178954.db2.gz YASOTTSYUVHQQL-AWEZNQCLSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC001733670817 1205180367 /nfs/dbraw/zinc/18/03/67/1205180367.db2.gz NJSOQIQCGBYKSS-INIZCTEOSA-N 0 3 320.864 3.498 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001733763959 1205203499 /nfs/dbraw/zinc/20/34/99/1205203499.db2.gz OFWZXRLMLYXPLJ-IEBWSBKVSA-N 0 3 315.461 3.155 20 30 DGEDHN C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)C#CC1CC1 ZINC001733773201 1205210375 /nfs/dbraw/zinc/21/03/75/1205210375.db2.gz YKJRAMMZJZROFB-OAHLLOKOSA-N 0 3 316.420 3.080 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1c[nH]cc1-c1ccccc1 ZINC001733780865 1205216399 /nfs/dbraw/zinc/21/63/99/1205216399.db2.gz UAIKJNBNSVHOFD-UHFFFAOYSA-N 0 3 323.440 3.099 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001733783151 1205218211 /nfs/dbraw/zinc/21/82/11/1205218211.db2.gz WORRNOARDPLCGP-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC=C ZINC001733808801 1205222433 /nfs/dbraw/zinc/22/24/33/1205222433.db2.gz OCDFOXYMLQQTSA-FQEVSTJZSA-N 0 3 324.468 3.299 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](C)CSC)cc2C1 ZINC001733833014 1205226427 /nfs/dbraw/zinc/22/64/27/1205226427.db2.gz FNLVWQRIBBKYQX-AWEZNQCLSA-N 0 3 318.486 3.194 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CO[C@@H](C)CC)cc2C1 ZINC001733835557 1205227013 /nfs/dbraw/zinc/22/70/13/1205227013.db2.gz FKQRUZFNRCTGHR-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)Cc3ccoc3)cc2C1 ZINC001733835606 1205227213 /nfs/dbraw/zinc/22/72/13/1205227213.db2.gz GRJKCLADVLKLCR-UHFFFAOYSA-N 0 3 310.397 3.030 20 30 DGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001733835636 1205227418 /nfs/dbraw/zinc/22/74/18/1205227418.db2.gz HSYMHORGRCVGSV-UHFFFAOYSA-N 0 3 310.441 3.222 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001733876034 1205240423 /nfs/dbraw/zinc/24/04/23/1205240423.db2.gz SAORCRCJCNPBOU-YJBOKZPZSA-N 0 3 310.457 3.145 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001733892286 1205242048 /nfs/dbraw/zinc/24/20/48/1205242048.db2.gz CTPCYYTZOVNAPG-JYIRHVFTSA-N 0 3 324.468 3.328 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001733934636 1205263292 /nfs/dbraw/zinc/26/32/92/1205263292.db2.gz PKZJAKGZDLDABB-WSTZPKSXSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCc1ccccc1 ZINC001733935860 1205264180 /nfs/dbraw/zinc/26/41/80/1205264180.db2.gz OEGDUSRPANYOSC-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cccc(Cl)c1F ZINC001733937321 1205265504 /nfs/dbraw/zinc/26/55/04/1205265504.db2.gz ZGNUUDXVGDZUNN-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCC(=O)N(C)CC(C)(C)CNC/C(Cl)=C\Cl ZINC001734016019 1205289775 /nfs/dbraw/zinc/28/97/75/1205289775.db2.gz XXAIKKGOSSLGKQ-XYOKQWHBSA-N 0 3 307.265 3.346 20 30 DGEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001734036132 1205298384 /nfs/dbraw/zinc/29/83/84/1205298384.db2.gz SHWVYVHDUOXNFU-KBPBESRZSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)CCc1csc(C)n1 ZINC001734039226 1205299167 /nfs/dbraw/zinc/29/91/67/1205299167.db2.gz JHBJNFFAVSWMCP-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)C/C=C\c1ccccc1 ZINC001734039964 1205300276 /nfs/dbraw/zinc/30/02/76/1205300276.db2.gz VCZHGMMSMUEEKW-NLZINVLXSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C(CC)(CC)c1ccccc1 ZINC001734067016 1205314878 /nfs/dbraw/zinc/31/48/78/1205314878.db2.gz YVXBMWAIUJLAII-INIZCTEOSA-N 0 3 302.462 3.367 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001734107478 1205326674 /nfs/dbraw/zinc/32/66/74/1205326674.db2.gz XYJWOKQWVQWTQI-HZPDHXFCSA-N 0 3 304.434 3.238 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001734119330 1205329077 /nfs/dbraw/zinc/32/90/77/1205329077.db2.gz NVWUPJTUXLDKQZ-CHWSQXEVSA-N 0 3 322.399 3.081 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](CC)CC(F)F)C(C)(C)C1 ZINC001734146232 1205334335 /nfs/dbraw/zinc/33/43/35/1205334335.db2.gz PHBADRWLQNIIKV-QWHCGFSZSA-N 0 3 302.409 3.071 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCCC3CCCCC3)[C@@H]2C1 ZINC001734173881 1205339709 /nfs/dbraw/zinc/33/97/09/1205339709.db2.gz LBNCOTCSJBYDEX-LDLYASANSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](CC)CC(F)(F)F)C(C)C ZINC001734554865 1205393198 /nfs/dbraw/zinc/39/31/98/1205393198.db2.gz UODITSDOHTVMKY-ZDUSSCGKSA-N 0 3 308.388 3.320 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@]2(C)CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001734198376 1205342468 /nfs/dbraw/zinc/34/24/68/1205342468.db2.gz HXTJXBPEXOIIOA-NXHRZFHOSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001734220207 1205345903 /nfs/dbraw/zinc/34/59/03/1205345903.db2.gz GNZPUEZJZAEAAP-AULYBMBSSA-N 0 3 324.877 3.087 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CCCCC1(F)F ZINC001734247696 1205349477 /nfs/dbraw/zinc/34/94/77/1205349477.db2.gz REMRPXSLHGOUQB-OLZOCXBDSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCNCc2c(C)noc2C)C1 ZINC001734251290 1205349626 /nfs/dbraw/zinc/34/96/26/1205349626.db2.gz PMHWCOQLMKFGHS-ZDUSSCGKSA-N 0 3 319.449 3.022 20 30 DGEDHN CN(C(=O)CCC1CC1)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001734296394 1205359026 /nfs/dbraw/zinc/35/90/26/1205359026.db2.gz VIGVSUFDMSTQDJ-FQEVSTJZSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001734340834 1205367516 /nfs/dbraw/zinc/36/75/16/1205367516.db2.gz WICGRHKBFYJHOV-UONOGXRCSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)CCCc1ccccc1 ZINC001734357064 1205371305 /nfs/dbraw/zinc/37/13/05/1205371305.db2.gz NRJGRTDLMCIAOM-QZTJIDSGSA-N 0 3 314.473 3.105 20 30 DGEDHN C#CCCCCCC(=O)N[C@]12CCC[C@H]1N(C[C@H](F)CC)CC2 ZINC001734438034 1205377232 /nfs/dbraw/zinc/37/72/32/1205377232.db2.gz KGKBFFAYFAYJLA-LMMKCTJWSA-N 0 3 322.468 3.431 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734441528 1205377970 /nfs/dbraw/zinc/37/79/70/1205377970.db2.gz PJFKXEOPVCFUCM-GPMSIDNRSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001734489513 1205386266 /nfs/dbraw/zinc/38/62/66/1205386266.db2.gz OHCDAQFCPHDSLL-PBHICJAKSA-N 0 3 316.445 3.187 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccccc1F)C(C)C ZINC001734555056 1205392838 /nfs/dbraw/zinc/39/28/38/1205392838.db2.gz YGVDBJNSAGVAAC-UHFFFAOYSA-N 0 3 306.425 3.113 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cnc(C)s1)C(C)(C)C ZINC001734556898 1205393545 /nfs/dbraw/zinc/39/35/45/1205393545.db2.gz MCLNEQXMGKCRLJ-AWEZNQCLSA-N 0 3 309.479 3.038 20 30 DGEDHN CC(C)(C)[C@@H](CNCC#Cc1ccccc1)NC(=O)C1CC=CC1 ZINC001734557024 1205393582 /nfs/dbraw/zinc/39/35/82/1205393582.db2.gz VOUJPTKUZHVFRA-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](CC)Cc2ccccc2)CC1 ZINC001734634079 1205407553 /nfs/dbraw/zinc/40/75/53/1205407553.db2.gz NMGXAJIVQIVCKI-IBGZPJMESA-N 0 3 312.457 3.190 20 30 DGEDHN C=CC[C@@H](C(=O)NCC1=CCN(CC=C)CC1)c1ccccc1 ZINC001734637406 1205408132 /nfs/dbraw/zinc/40/81/32/1205408132.db2.gz SIFVWYCNZZCDIW-LJQANCHMSA-N 0 3 310.441 3.281 20 30 DGEDHN C=C(Br)CN[C@@H](CNC(=O)C[C@H](C)CC)C(C)C ZINC001667454545 1197350681 /nfs/dbraw/zinc/35/06/81/1197350681.db2.gz WRBKXJCWXLXAMD-YPMHNXCESA-N 0 3 319.287 3.062 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC(NC/C(Cl)=C\Cl)CC2)C1 ZINC001202407930 1102971928 /nfs/dbraw/zinc/97/19/28/1102971928.db2.gz RNXZJGJZOAUWFS-FMIVXFBMSA-N 0 3 317.260 3.242 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001266252631 1081581359 /nfs/dbraw/zinc/58/13/59/1081581359.db2.gz XSQMHEXRPGDGCQ-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN CCCCC(=O)[C@H](C)Nc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001169551346 1081588911 /nfs/dbraw/zinc/58/89/11/1081588911.db2.gz SIWOQUSPYOGLLU-HCZVKUGISA-N 0 3 300.406 3.339 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1csc(CC)n1 ZINC001169696408 1081631613 /nfs/dbraw/zinc/63/16/13/1081631613.db2.gz HECGYWJXGMGQQK-CQSZACIVSA-N 0 3 323.506 3.436 20 30 DGEDHN N#Cc1cccc([C@H](O)CN(Cc2cccc(F)c2)C2CC2)c1 ZINC001167084250 1081653384 /nfs/dbraw/zinc/65/33/84/1081653384.db2.gz MKACINVIJZPLSW-LJQANCHMSA-N 0 3 310.372 3.395 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001266312405 1081657386 /nfs/dbraw/zinc/65/73/86/1081657386.db2.gz ZQHHCCLWRNSVDM-HNNXBMFYSA-N 0 3 313.445 3.318 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)CCc2ccccc2Cl)C1 ZINC001266323515 1081665802 /nfs/dbraw/zinc/66/58/02/1081665802.db2.gz FIVXKZZCVQUZQV-UHFFFAOYSA-N 0 3 320.864 3.287 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@@H]2CCc3c2cccc3F)C1 ZINC001266323600 1081666174 /nfs/dbraw/zinc/66/61/74/1081666174.db2.gz HVVUTYAZQWYLKM-QGZVFWFLSA-N 0 3 316.420 3.217 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC001169906183 1081674899 /nfs/dbraw/zinc/67/48/99/1081674899.db2.gz GGDYIFCIDSRVTQ-UHFFFAOYSA-N 0 3 319.836 3.247 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001266368931 1081710232 /nfs/dbraw/zinc/71/02/32/1081710232.db2.gz OGJWNBSAZUNXNJ-QGZVFWFLSA-N 0 3 316.420 3.263 20 30 DGEDHN COC(C)(C)CCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209410520 1081728365 /nfs/dbraw/zinc/72/83/65/1081728365.db2.gz JTYJCVLYJXKLJC-UHFFFAOYSA-N 0 3 304.409 3.498 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscn1)C2 ZINC001109048463 1081755979 /nfs/dbraw/zinc/75/59/79/1081755979.db2.gz GYSRSLWCPQHNFH-YCPHGPKFSA-N 0 3 319.474 3.225 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscn1)C2 ZINC001109058670 1081760799 /nfs/dbraw/zinc/76/07/99/1081760799.db2.gz HHSRJAVULZRPCU-YCPHGPKFSA-N 0 3 321.490 3.449 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1scnc1C)C1CC1 ZINC001266412131 1081767577 /nfs/dbraw/zinc/76/75/77/1081767577.db2.gz MOSAHYYHJURXSS-AWEZNQCLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN(CC)CCNC(=O)C1(c2ccccc2C)CCC1 ZINC001266431962 1081798349 /nfs/dbraw/zinc/79/83/49/1081798349.db2.gz QEHYIGSZUITQMO-UHFFFAOYSA-N 0 3 300.446 3.041 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@@H](C)c1cccc(F)c1)C1CC1 ZINC001493415907 1081809526 /nfs/dbraw/zinc/80/95/26/1081809526.db2.gz KCGRHKATBNWSCV-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C/Cc1ccccc1)C2 ZINC001109424066 1081830467 /nfs/dbraw/zinc/83/04/67/1081830467.db2.gz NYMPRHMYVPNNAK-FZEFPESISA-N 0 3 324.468 3.473 20 30 DGEDHN C/C=C(/C)C(=O)N1CCC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001266452809 1081843923 /nfs/dbraw/zinc/84/39/23/1081843923.db2.gz RQWMVUBZDVQJEW-QQVKKBHGSA-N 0 3 324.468 3.175 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109604754 1081885886 /nfs/dbraw/zinc/88/58/86/1081885886.db2.gz XRBKMMHSAJWNGW-SQNIBIBYSA-N 0 3 302.462 3.258 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC[C@H](C)CC)C[C@@H](C)O2 ZINC001111550454 1081892817 /nfs/dbraw/zinc/89/28/17/1081892817.db2.gz BQEUHZNHRXFUQF-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001266495249 1081896291 /nfs/dbraw/zinc/89/62/91/1081896291.db2.gz JTQLHXTVCLYQJU-CJNGLKHVSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001266496061 1081897472 /nfs/dbraw/zinc/89/74/72/1081897472.db2.gz ZXJNUHWQNKHRKH-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001266496064 1081897672 /nfs/dbraw/zinc/89/76/72/1081897672.db2.gz ZXJNUHWQNKHRKH-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(Br)CN[C@@H](CNC(=O)CCC(C)C)C(C)C ZINC001496524652 1081931536 /nfs/dbraw/zinc/93/15/36/1081931536.db2.gz XRYLYBDYXPRCFP-ZDUSSCGKSA-N 0 3 319.287 3.062 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(CC)CC)C[C@@H](C)O2 ZINC001111552797 1081947782 /nfs/dbraw/zinc/94/77/82/1081947782.db2.gz NDEOGYBRIRIJAO-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001112896391 1082042126 /nfs/dbraw/zinc/04/21/26/1082042126.db2.gz UTYJWKMWYQPUDY-ZACQAIPSSA-N 0 3 304.478 3.169 20 30 DGEDHN C=C(C)[C@H](CC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1)OCC ZINC001112906952 1082047626 /nfs/dbraw/zinc/04/76/26/1082047626.db2.gz UMUOZZBWIHFHOI-ROUUACIJSA-N 0 3 324.509 3.184 20 30 DGEDHN C#CCN(CCC(=O)NCC1CCCCC1)Cc1ccccc1 ZINC001170096713 1082083402 /nfs/dbraw/zinc/08/34/02/1082083402.db2.gz ZRBLUVORXKCARS-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001282958968 1082084429 /nfs/dbraw/zinc/08/44/29/1082084429.db2.gz ROOFNXIPTJDCFT-OWCLPIDISA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2=CCCC2)C1 ZINC001086582773 1082134651 /nfs/dbraw/zinc/13/46/51/1082134651.db2.gz HADHGHKWAWJUQK-RBUKOAKNSA-N 0 3 310.441 3.257 20 30 DGEDHN C#CCCCCCC(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113204987 1082139251 /nfs/dbraw/zinc/13/92/51/1082139251.db2.gz FWFMDSGODILWOQ-QRVBRYPASA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(C)cc2Cl)C1 ZINC001266680191 1082141647 /nfs/dbraw/zinc/14/16/47/1082141647.db2.gz KCUCQHVHQRWEKG-IYBDPMFKSA-N 0 3 318.848 3.189 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001266705585 1082157452 /nfs/dbraw/zinc/15/74/52/1082157452.db2.gz MCKFGVRBSSXEFX-FPMFFAJLSA-N 0 3 322.399 3.475 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@H]1C ZINC001104349123 1082165546 /nfs/dbraw/zinc/16/55/46/1082165546.db2.gz GYMFJYPUIKAHPT-FVQBIDKESA-N 0 3 324.896 3.393 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC001113367525 1082184664 /nfs/dbraw/zinc/18/46/64/1082184664.db2.gz VHHXKYKPQOPRTQ-HNNXBMFYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@H]1C ZINC001104355294 1082185466 /nfs/dbraw/zinc/18/54/66/1082185466.db2.gz VTDNMPNGYDVGFH-ZFRYHDOHSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC001266752531 1082189864 /nfs/dbraw/zinc/18/98/64/1082189864.db2.gz TVPWNEKCTANQTN-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2ncccc2C)C1 ZINC001266758572 1082195444 /nfs/dbraw/zinc/19/54/44/1082195444.db2.gz VXTSYLNWYCVMRS-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001266776389 1082210010 /nfs/dbraw/zinc/21/00/10/1082210010.db2.gz ZTYFNGRXBFIZGF-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCN(CC[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC001207203530 1082217778 /nfs/dbraw/zinc/21/77/78/1082217778.db2.gz HJRAMAOHUURHFL-UHFFFAOYSA-N 0 3 320.433 3.247 20 30 DGEDHN C=CCN(CC[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC001207203530 1082217783 /nfs/dbraw/zinc/21/77/83/1082217783.db2.gz HJRAMAOHUURHFL-UHFFFAOYSA-N 0 3 320.433 3.247 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC001211519460 1082250683 /nfs/dbraw/zinc/25/06/83/1082250683.db2.gz UHYXPVZHRBAFQJ-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN CC(C)(C)CCN1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113668327 1082274429 /nfs/dbraw/zinc/27/44/29/1082274429.db2.gz BFFJENIFOGOAQP-UHFFFAOYSA-N 0 3 312.457 3.009 20 30 DGEDHN CN(C)/C=N/c1ccc(NCC(=O)Cc2ccccc2)cc1C#N ZINC001170186446 1082307533 /nfs/dbraw/zinc/30/75/33/1082307533.db2.gz QEXRCEWYBUZKPE-HYARGMPZSA-N 0 3 320.396 3.003 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001266981295 1082400650 /nfs/dbraw/zinc/40/06/50/1082400650.db2.gz HBIKVDFPQLXWLO-ZFWWWQNUSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2F)C1 ZINC001267110562 1082528055 /nfs/dbraw/zinc/52/80/55/1082528055.db2.gz FOLJINDTGAHRQF-CYBMUJFWSA-N 0 3 322.811 3.039 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(C)c2Cl)C1 ZINC001267113370 1082531690 /nfs/dbraw/zinc/53/16/90/1082531690.db2.gz JNGJBLIZEOZMHA-HNNXBMFYSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC001267113597 1082531854 /nfs/dbraw/zinc/53/18/54/1082531854.db2.gz OGNGHFHOMVWFFY-LJQANCHMSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cc(C)cc(C)c1 ZINC001267142738 1082559748 /nfs/dbraw/zinc/55/97/48/1082559748.db2.gz HFPMPPWWWQRFKA-HNNXBMFYSA-N 0 3 308.853 3.083 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001267146605 1082563185 /nfs/dbraw/zinc/56/31/85/1082563185.db2.gz SLFHVEKTQKATGK-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@H](C)SC ZINC001267164393 1082587991 /nfs/dbraw/zinc/58/79/91/1082587991.db2.gz DXFGUUXIYVNTNT-KBPBESRZSA-N 0 3 318.914 3.241 20 30 DGEDHN CCC[C@H]1CCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001130567431 1082592798 /nfs/dbraw/zinc/59/27/98/1082592798.db2.gz WAMKQIKFVKYSOX-XJKSGUPXSA-N 0 3 319.474 3.042 20 30 DGEDHN CCC[C@@H]1CCC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001130567429 1082592886 /nfs/dbraw/zinc/59/28/86/1082592886.db2.gz WAMKQIKFVKYSOX-CJNGLKHVSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cc(C)co1 ZINC001267172726 1082596208 /nfs/dbraw/zinc/59/62/08/1082596208.db2.gz AVLBOIQXLYNHCI-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1c(C)cc(C)cc1C ZINC001267212086 1082643839 /nfs/dbraw/zinc/64/38/39/1082643839.db2.gz XFANNDWWQIMMHL-UHFFFAOYSA-N 0 3 314.473 3.353 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001267215017 1082647102 /nfs/dbraw/zinc/64/71/02/1082647102.db2.gz FXMDPLPDYFWOQJ-BEFAXECRSA-N 0 3 318.461 3.407 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)CCc1ccc(F)c(F)c1 ZINC001267215853 1082649224 /nfs/dbraw/zinc/64/92/24/1082649224.db2.gz PTQCTSIMJWUUEW-SFHVURJKSA-N 0 3 324.415 3.158 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)CCc1ccccc1F ZINC001267219349 1082652259 /nfs/dbraw/zinc/65/22/59/1082652259.db2.gz QHAVXDNAEKPHCJ-UHFFFAOYSA-N 0 3 306.425 3.019 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131674184 1082705131 /nfs/dbraw/zinc/70/51/31/1082705131.db2.gz VKHVCYVMORCTEW-PKOBYXMFSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131674183 1082705293 /nfs/dbraw/zinc/70/52/93/1082705293.db2.gz VKHVCYVMORCTEW-MJGOQNOKSA-N 0 3 320.477 3.001 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](CCC)CC2CCCCC2)C1 ZINC001267302382 1082765309 /nfs/dbraw/zinc/76/53/09/1082765309.db2.gz CXPNFIJGROBUKF-RBUKOAKNSA-N 0 3 318.505 3.444 20 30 DGEDHN Cc1cc(C)cc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c1 ZINC001132034863 1082798230 /nfs/dbraw/zinc/79/82/30/1082798230.db2.gz VVPZEKMKIYNYSC-PXNSSMCTSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132061079 1082805318 /nfs/dbraw/zinc/80/53/18/1082805318.db2.gz OWFFPMKLEOMQMQ-HOTGVXAUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCOCC2CCC2)C1 ZINC001132073164 1082809520 /nfs/dbraw/zinc/80/95/20/1082809520.db2.gz UIDCMNZMYCKWIG-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)/C=C\c1ccc[nH]1)c1ccccc1 ZINC001267357305 1082829266 /nfs/dbraw/zinc/82/92/66/1082829266.db2.gz MIOAMBPSHLMFDD-RXQFDZFGSA-N 0 3 309.413 3.051 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132218433 1082844746 /nfs/dbraw/zinc/84/47/46/1082844746.db2.gz QNICTXCRYCDTFS-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132217926 1082845165 /nfs/dbraw/zinc/84/51/65/1082845165.db2.gz JKEGERYXKCFWER-HOTGVXAUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC2CCC2)C1 ZINC001132256335 1082859719 /nfs/dbraw/zinc/85/97/19/1082859719.db2.gz MKKCNFRRKFSBFM-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCOC(C)C)C2)CC1 ZINC001132277301 1082868474 /nfs/dbraw/zinc/86/84/74/1082868474.db2.gz FGOYYYBPLXKBRE-IAGOWNOFSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2C)CC[C@@H]1C ZINC001132321968 1082885732 /nfs/dbraw/zinc/88/57/32/1082885732.db2.gz MUENSVXRFPOZNR-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CC(C)(C)C(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001132395772 1082898111 /nfs/dbraw/zinc/89/81/11/1082898111.db2.gz OPXAQJSAJYNTTP-UHFFFAOYSA-N 0 3 315.244 3.411 20 30 DGEDHN C#CCCCCCC(=O)NCCNCc1cccc(Cl)c1 ZINC001132398690 1082899021 /nfs/dbraw/zinc/89/90/21/1082899021.db2.gz KBSDMXXKDKATBK-UHFFFAOYSA-N 0 3 306.837 3.130 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132449082 1082914062 /nfs/dbraw/zinc/91/40/62/1082914062.db2.gz RKPIGOOUGQNZEQ-DLBZAZTESA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2sc(C)nc2C)CC[C@H]1C ZINC001132469761 1082919964 /nfs/dbraw/zinc/91/99/64/1082919964.db2.gz WEUVNLHBHSNOMV-DOMZBBRYSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132472894 1082920200 /nfs/dbraw/zinc/92/02/00/1082920200.db2.gz NOGQDULCQOGMFJ-LSDHHAIUSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2cccs2)CC[C@@H]1C ZINC001132469992 1082920504 /nfs/dbraw/zinc/92/05/04/1082920504.db2.gz ZXJWOHMGMDPJFX-LSDHHAIUSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCCCN1CC[C@H](N(CCC)C(=O)c2ccns2)C1 ZINC001267467563 1082921713 /nfs/dbraw/zinc/92/17/13/1082921713.db2.gz ZUOBNTKLDDBDGN-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C ZINC001132501471 1082924358 /nfs/dbraw/zinc/92/43/58/1082924358.db2.gz XDIGAZPQHGAYDK-IRXDYDNUSA-N 0 3 316.445 3.001 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001111930554 1082930686 /nfs/dbraw/zinc/93/06/86/1082930686.db2.gz ZILPESBYOAWKMA-LNLFQRSKSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@H](C)n2cccc2)C1 ZINC001267487118 1082943505 /nfs/dbraw/zinc/94/35/05/1082943505.db2.gz APTHYRMBBWBJFQ-ROUUACIJSA-N 0 3 317.477 3.328 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132569597 1082948675 /nfs/dbraw/zinc/94/86/75/1082948675.db2.gz UWVAYSYVAVOJCW-LSDHHAIUSA-N 0 3 317.477 3.177 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132653201 1082967862 /nfs/dbraw/zinc/96/78/62/1082967862.db2.gz HESFDIVQYOQCSW-ZDUSSCGKSA-N 0 3 324.852 3.157 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001132649802 1082971825 /nfs/dbraw/zinc/97/18/25/1082971825.db2.gz DDUNANHLJZDYQB-CQSZACIVSA-N 0 3 300.402 3.241 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001132651373 1082972802 /nfs/dbraw/zinc/97/28/02/1082972802.db2.gz XDUSTURYLSEDDO-INIZCTEOSA-N 0 3 318.461 3.282 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132659986 1082973530 /nfs/dbraw/zinc/97/35/30/1082973530.db2.gz GYCBROGHZALAQP-CYBMUJFWSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1 ZINC001267518314 1082977494 /nfs/dbraw/zinc/97/74/94/1082977494.db2.gz VFTFYWIUIHKACS-OLMNPRSZSA-N 0 3 300.446 3.399 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)CC(F)(F)F)c1ccccc1 ZINC001267519614 1082979547 /nfs/dbraw/zinc/97/95/47/1082979547.db2.gz KFDXURSAAFGAKM-OCCSQVGLSA-N 0 3 314.351 3.208 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1 ZINC001267523974 1082984347 /nfs/dbraw/zinc/98/43/47/1082984347.db2.gz ZZSPLXXNLZVEPT-WMLDXEAASA-N 0 3 314.454 3.485 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccsc2C)C1 ZINC001267542339 1083009695 /nfs/dbraw/zinc/00/96/95/1083009695.db2.gz ULKAFLFGQFFSBC-OAHLLOKOSA-N 0 3 304.459 3.006 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001267546493 1083015509 /nfs/dbraw/zinc/01/55/09/1083015509.db2.gz PQCLJJMWSMJAHA-LJQANCHMSA-N 0 3 310.441 3.171 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2cscn2)C1 ZINC001133074119 1083041361 /nfs/dbraw/zinc/04/13/61/1083041361.db2.gz YDUREMRJHWMXLF-LSDHHAIUSA-N 0 3 321.490 3.074 20 30 DGEDHN CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001283663922 1083056921 /nfs/dbraw/zinc/05/69/21/1083056921.db2.gz HOEIHIUIDLWRDZ-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)CC1 ZINC001267570164 1083057344 /nfs/dbraw/zinc/05/73/44/1083057344.db2.gz JOLRUMULPCYYPA-TVNLJNBVSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)C1CCC1 ZINC001133377342 1083109235 /nfs/dbraw/zinc/10/92/35/1083109235.db2.gz RUJJWFMXEQANCW-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001133380341 1083111007 /nfs/dbraw/zinc/11/10/07/1083111007.db2.gz DMIPCKXFUZRBHJ-KRWDZBQOSA-N 0 3 324.852 3.157 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)C=C(C)C ZINC001133385258 1083112376 /nfs/dbraw/zinc/11/23/76/1083112376.db2.gz FHYXDRNTOOZATR-UHFFFAOYSA-N 0 3 318.848 3.248 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001481072250 1083148066 /nfs/dbraw/zinc/14/80/66/1083148066.db2.gz WMNXLFGLVRUHOF-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)C(CC)CC ZINC001133769565 1083194425 /nfs/dbraw/zinc/19/44/25/1083194425.db2.gz QVWKFGDYEHBMDH-NEPJUHHUSA-N 0 3 319.287 3.204 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001267609631 1083195030 /nfs/dbraw/zinc/19/50/30/1083195030.db2.gz NQAHJAIIUCTUSC-MRXNPFEDSA-N 0 3 321.465 3.456 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133839371 1083201850 /nfs/dbraw/zinc/20/18/50/1083201850.db2.gz FUQOFLYZZFURFL-RCVIBLRSSA-N 0 3 313.445 3.287 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC001481177781 1083226525 /nfs/dbraw/zinc/22/65/25/1083226525.db2.gz KJWQCSVBNGDHQN-IBGZPJMESA-N 0 3 312.457 3.337 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001267630105 1083232838 /nfs/dbraw/zinc/23/28/38/1083232838.db2.gz YUDJMNSCLKKGPU-ICSRJNTNSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)C(F)=C(C)C ZINC001134081186 1083238108 /nfs/dbraw/zinc/23/81/08/1083238108.db2.gz FHSJGRFMCQEEEC-MNOVXSKESA-N 0 3 321.234 3.031 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1C ZINC001104748562 1083250786 /nfs/dbraw/zinc/25/07/86/1083250786.db2.gz UUINMEBPPVGQNJ-VHDGCEQUSA-N 0 3 300.874 3.105 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](CN(C)C/C=C/Cl)C2)CCC1 ZINC001267681904 1083261039 /nfs/dbraw/zinc/26/10/39/1083261039.db2.gz BTIMBNOZILUNFB-RNOHYWCBSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001267704617 1083273235 /nfs/dbraw/zinc/27/32/35/1083273235.db2.gz CDCGEQGEZPVKHW-ILXRZTDVSA-N 0 3 302.418 3.095 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)NC/C(Cl)=C\Cl ZINC001134329572 1083274634 /nfs/dbraw/zinc/27/46/34/1083274634.db2.gz PHCCFIFAGCJPSV-LZEMIWRJSA-N 0 3 319.276 3.228 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCO[C@@H](C)CC(C)C ZINC001267706923 1083274998 /nfs/dbraw/zinc/27/49/98/1083274998.db2.gz UJGQIUDFTORPCG-BZSNNMDCSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)(F)F)CC1 ZINC001267712320 1083276104 /nfs/dbraw/zinc/27/61/04/1083276104.db2.gz OONMFNFSTVKHMH-IHRRRGAJSA-N 0 3 312.404 3.062 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134417937 1083286744 /nfs/dbraw/zinc/28/67/44/1083286744.db2.gz CAWRZXOCVMRQIH-KGLIPLIRSA-N 0 3 319.449 3.124 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134419015 1083287282 /nfs/dbraw/zinc/28/72/82/1083287282.db2.gz RZXJECSITKMJSG-KBPBESRZSA-N 0 3 319.449 3.124 20 30 DGEDHN O=C(CC#Cc1ccccc1)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001267734672 1083293378 /nfs/dbraw/zinc/29/33/78/1083293378.db2.gz SWMWBFUWZBUJGM-FQEVSTJZSA-N 0 3 322.452 3.119 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCC(=C)Br ZINC001134469731 1083294338 /nfs/dbraw/zinc/29/43/38/1083294338.db2.gz HQNOSUGPJXPSRK-QWHCGFSZSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC001134454136 1083295414 /nfs/dbraw/zinc/29/54/14/1083295414.db2.gz RCFKQDJCAWJLPO-OLZOCXBDSA-N 0 3 309.479 3.118 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001267743574 1083310304 /nfs/dbraw/zinc/31/03/04/1083310304.db2.gz XFXDOPROXZQHLB-GOSISDBHSA-N 0 3 323.440 3.282 20 30 DGEDHN Cc1cccc(CN2CC[C@H](N(C)C(=O)C#CC(C)(C)C)C2)c1 ZINC001267761400 1083324859 /nfs/dbraw/zinc/32/48/59/1083324859.db2.gz HCDPVYBFZCNTTO-SFHVURJKSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001267777269 1083340746 /nfs/dbraw/zinc/34/07/46/1083340746.db2.gz MGJRHSZVKYKYBP-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H](C)CC)NCC#Cc1ccccc1Cl ZINC001267795634 1083352788 /nfs/dbraw/zinc/35/27/88/1083352788.db2.gz FWAXDJUKIYNYTL-GOEBONIOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)NCc1cccc(Cl)c1F ZINC001267797065 1083353660 /nfs/dbraw/zinc/35/36/60/1083353660.db2.gz BBXFVJQDJRLQQD-CYBMUJFWSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCc2cnc(C)s2)CC1 ZINC001267819685 1083380792 /nfs/dbraw/zinc/38/07/92/1083380792.db2.gz ZALYGKUDSFUDGP-OAHLLOKOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cncc(CC)c2)CCCC1 ZINC001267840446 1083426316 /nfs/dbraw/zinc/42/63/16/1083426316.db2.gz HEJJTLHJTXHZLD-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CC(C)=C(C)C)C[C@H]1c1ccccc1 ZINC001211653340 1083443079 /nfs/dbraw/zinc/44/30/79/1083443079.db2.gz MUKXJXRZUUBDNI-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001267891184 1083523546 /nfs/dbraw/zinc/52/35/46/1083523546.db2.gz JYPFIDHEYAHQAD-CAOSSQGBSA-N 0 3 310.869 3.003 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ncoc2CC)C1 ZINC001267919519 1083568192 /nfs/dbraw/zinc/56/81/92/1083568192.db2.gz HYVIUUNNOQPZSO-OAHLLOKOSA-N 0 3 319.449 3.178 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)c2ccco2)CC1 ZINC001167747850 1083581508 /nfs/dbraw/zinc/58/15/08/1083581508.db2.gz AJNJDXHXUZUHMM-ZDUSSCGKSA-N 0 3 324.852 3.402 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001267929588 1083588326 /nfs/dbraw/zinc/58/83/26/1083588326.db2.gz OWCXTKJIZDTHQA-IIDMSEBBSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001267929589 1083588931 /nfs/dbraw/zinc/58/89/31/1083588931.db2.gz OWCXTKJIZDTHQA-MPGHIAIKSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)cc1 ZINC001267938875 1083605663 /nfs/dbraw/zinc/60/56/63/1083605663.db2.gz BOGAMIAZWFVLFG-CVEARBPZSA-N 0 3 314.473 3.344 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC001267978709 1083690169 /nfs/dbraw/zinc/69/01/69/1083690169.db2.gz DPGJKNXOWWUMBU-STQMWFEESA-N 0 3 310.388 3.334 20 30 DGEDHN C#CCCCCC(=O)NCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001125950926 1083716257 /nfs/dbraw/zinc/71/62/57/1083716257.db2.gz DRUYGEYXHXTTLW-CYBMUJFWSA-N 0 3 324.827 3.440 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211667172 1083790552 /nfs/dbraw/zinc/79/05/52/1083790552.db2.gz XQWKGAXHFZPEPQ-QKNQBKEWSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)Cc1cccs1)c1ccccc1 ZINC001481361189 1083822606 /nfs/dbraw/zinc/82/26/06/1083822606.db2.gz GARLKKVIJAIQOO-QGZVFWFLSA-N 0 3 314.454 3.314 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccoc1Cl)c1ccccc1 ZINC001481364112 1083824170 /nfs/dbraw/zinc/82/41/70/1083824170.db2.gz BBVZDKGIXYZSES-CQSZACIVSA-N 0 3 304.777 3.180 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC1CC(C)(C)C1)c1ccccc1 ZINC001481369783 1083830579 /nfs/dbraw/zinc/83/05/79/1083830579.db2.gz SRCZJGSYHNEGOQ-SFHVURJKSA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001481369532 1083832794 /nfs/dbraw/zinc/83/27/94/1083832794.db2.gz PYKVLDCRNGGCJZ-ZWKOTPCHSA-N 0 3 312.457 3.283 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001182897889 1083834878 /nfs/dbraw/zinc/83/48/78/1083834878.db2.gz JRJOTERUJJERLN-MRXNPFEDSA-N 0 3 322.399 3.258 20 30 DGEDHN C[C@H](C#N)C(=O)NCC1(N[C@H](C)c2ccccc2F)CCCC1 ZINC001268032157 1083909471 /nfs/dbraw/zinc/90/94/71/1083909471.db2.gz RYRSWKDGXYFPAJ-ZIAGYGMSSA-N 0 3 317.408 3.065 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)CCCC1 ZINC001268041491 1083963964 /nfs/dbraw/zinc/96/39/64/1083963964.db2.gz XZFLWQZSTFVAIG-GOEBONIOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001183513016 1083965489 /nfs/dbraw/zinc/96/54/89/1083965489.db2.gz SEJOWPNOMDFTJG-SFHVURJKSA-N 0 3 314.473 3.293 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)CCC(C)(C)C)CC2 ZINC001268046563 1083996883 /nfs/dbraw/zinc/99/68/83/1083996883.db2.gz FGDYQDNVHPJVEM-QGZVFWFLSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001268047893 1084013214 /nfs/dbraw/zinc/01/32/14/1084013214.db2.gz BEILLEORKQROFZ-QGZVFWFLSA-N 0 3 300.446 3.055 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC[C@H](C)CC)C[C@H]1c1ccccc1 ZINC001211695316 1084056677 /nfs/dbraw/zinc/05/66/77/1084056677.db2.gz WANVMUHVPLAHHA-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001481533934 1084095523 /nfs/dbraw/zinc/09/55/23/1084095523.db2.gz PLUUBUFHQACBHR-FQEVSTJZSA-N 0 3 324.468 3.059 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001481536048 1084102484 /nfs/dbraw/zinc/10/24/84/1084102484.db2.gz ZWBIVZUMVNNIAV-AWEZNQCLSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001481537266 1084107749 /nfs/dbraw/zinc/10/77/49/1084107749.db2.gz VXWGFWOQMRVYPB-MAUKXSAKSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001268078994 1084114080 /nfs/dbraw/zinc/11/40/80/1084114080.db2.gz NATUDCLCHJDJQL-YGLIYXGISA-N 0 3 317.458 3.079 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001268078992 1084114933 /nfs/dbraw/zinc/11/49/33/1084114933.db2.gz NATUDCLCHJDJQL-CNTYAEFGSA-N 0 3 317.458 3.079 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001268079750 1084116033 /nfs/dbraw/zinc/11/60/33/1084116033.db2.gz DPBAQNVZXRKTMI-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001184618783 1084226412 /nfs/dbraw/zinc/22/64/12/1084226412.db2.gz IQHGISZKQOHSRE-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001185050140 1084322148 /nfs/dbraw/zinc/32/21/48/1084322148.db2.gz QKYHKYBKKQINSA-SWLSCSKDSA-N 0 3 321.490 3.053 20 30 DGEDHN CC(C)[C@@H](CNC(=O)[C@@]1(C)C=CCC1)NCC#Cc1ccccc1 ZINC001268219148 1084345532 /nfs/dbraw/zinc/34/55/32/1084345532.db2.gz LWBGXMFGJMCSNL-CTNGQTDRSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1ccc(C)c(OC)c1 ZINC001268238342 1084386018 /nfs/dbraw/zinc/38/60/18/1084386018.db2.gz BOYSNXVDOIZQBT-UHFFFAOYSA-N 0 3 318.461 3.250 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001268247970 1084405739 /nfs/dbraw/zinc/40/57/39/1084405739.db2.gz XYMFRLSPNOLLBS-LJQANCHMSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1nc(C)c(C)s1 ZINC001268398083 1084562442 /nfs/dbraw/zinc/56/24/42/1084562442.db2.gz 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/nfs/dbraw/zinc/63/91/18/1084639118.db2.gz CKUVUZAQRXXXEG-ZDUSSCGKSA-N 0 3 307.463 3.040 20 30 DGEDHN CCC[C@H](CC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001186631938 1084679164 /nfs/dbraw/zinc/67/91/64/1084679164.db2.gz ZUVKNEBENZSYRS-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1ccnc(Cl)c1 ZINC001268475906 1084685432 /nfs/dbraw/zinc/68/54/32/1084685432.db2.gz CENZYDNHLPZWDM-QGZVFWFLSA-N 0 3 323.868 3.275 20 30 DGEDHN C=CCC1(C(=O)N(CC)CCNCc2cncc(C)c2)CCC1 ZINC001268477900 1084692972 /nfs/dbraw/zinc/69/29/72/1084692972.db2.gz ZNMWKTWRHFFKHH-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccccc1SC ZINC001186766342 1084700516 /nfs/dbraw/zinc/70/05/16/1084700516.db2.gz NOOHOOLGIKARRW-ZDUSSCGKSA-N 0 3 305.447 3.180 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H]1CC=CCC1)C1CC1 ZINC001481937479 1084718466 /nfs/dbraw/zinc/71/84/66/1084718466.db2.gz NMYPUAMHWLYJNX-RHSMWYFYSA-N 0 3 310.869 3.360 20 30 DGEDHN C[C@H]1CCCC[C@]1(CNCC#Cc1ccccc1)NC(=O)C1CC1 ZINC001481952179 1084726821 /nfs/dbraw/zinc/72/68/21/1084726821.db2.gz REXNQZHOFAGEBC-LAUBAEHRSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)NC/C=C/CN[C@@H]1CCCc2ccc(F)cc21 ZINC001268521965 1084782509 /nfs/dbraw/zinc/78/25/09/1084782509.db2.gz GQJCEOUICLCIHI-SHCNBLLESA-N 0 3 316.420 3.431 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)C2CCCC2)cc1 ZINC001482035410 1084787183 /nfs/dbraw/zinc/78/71/83/1084787183.db2.gz ZOKAYIFVHZAWFV-INIZCTEOSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2c(C)cccc2F)cc1 ZINC001482035474 1084787403 /nfs/dbraw/zinc/78/74/03/1084787403.db2.gz BZYJSNRMLRRXPZ-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)C2CCCC2)cc1 ZINC001482035411 1084787487 /nfs/dbraw/zinc/78/74/87/1084787487.db2.gz ZOKAYIFVHZAWFV-MRXNPFEDSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC001268545874 1084798872 /nfs/dbraw/zinc/79/88/72/1084798872.db2.gz VVPLKVWOSAGVIE-OAJJDEHYSA-N 0 3 316.420 3.431 20 30 DGEDHN C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(C)C)C1 ZINC001087462046 1084844711 /nfs/dbraw/zinc/84/47/11/1084844711.db2.gz OUWKGJJELHFBBK-QZTJIDSGSA-N 0 3 318.436 3.332 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822775 1084847437 /nfs/dbraw/zinc/84/74/37/1084847437.db2.gz LZBDUDNHXRLMHH-HZPDHXFCSA-N 0 3 324.490 3.148 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001268603080 1084889571 /nfs/dbraw/zinc/88/95/71/1084889571.db2.gz KRMLJEJHPWSDBS-FNQZAJIHSA-N 0 3 304.478 3.124 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001268615026 1084895132 /nfs/dbraw/zinc/89/51/32/1084895132.db2.gz USFHFWAXKZUHIL-JBVUFVISSA-N 0 3 312.457 3.102 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2sc(C)nc2C)CCC1 ZINC001268661162 1084925505 /nfs/dbraw/zinc/92/55/05/1084925505.db2.gz KZTZDCPMVFIXHX-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN CC[C@@H](CC(=O)N[C@@H](C)CNCC#Cc1ccccc1)C(C)C ZINC001268712260 1084963978 /nfs/dbraw/zinc/96/39/78/1084963978.db2.gz ONLRTEVWAWHNHC-HKUYNNGSSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268741960 1085008752 /nfs/dbraw/zinc/00/87/52/1085008752.db2.gz AAWJGGWNDXFBTR-JKSUJKDBSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCOCCN(C)C[C@H](C)NC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001268758373 1085034783 /nfs/dbraw/zinc/03/47/83/1085034783.db2.gz BZTGBRLEHQXWKZ-HKUYNNGSSA-N 0 3 322.493 3.152 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1cc(O)ccc1Cl ZINC001268796567 1085055868 /nfs/dbraw/zinc/05/58/68/1085055868.db2.gz XBFLGHFYCQJFSS-UHFFFAOYSA-N 0 3 324.852 3.340 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001268873959 1085072052 /nfs/dbraw/zinc/07/20/52/1085072052.db2.gz CQGIGFIJFVFARE-ICSRJNTNSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(Cl)cc1 ZINC001268926167 1085082016 /nfs/dbraw/zinc/08/20/16/1085082016.db2.gz UZKTWIATMGNFBE-UHFFFAOYSA-N 0 3 301.217 3.144 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001268944253 1085084302 /nfs/dbraw/zinc/08/43/02/1085084302.db2.gz PYGXJJVKILGRFV-RLNQZENFSA-N 0 3 302.462 3.086 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)c1ccccc1C ZINC001268969204 1085090439 /nfs/dbraw/zinc/09/04/39/1085090439.db2.gz NRNSACRGNZXUAD-UHFFFAOYSA-N 0 3 322.880 3.463 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001269172281 1085177460 /nfs/dbraw/zinc/17/74/60/1085177460.db2.gz MINZBNREJVOUBB-GOEBONIOSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCCc1ccc(Cl)cc1 ZINC001269262101 1085244507 /nfs/dbraw/zinc/24/45/07/1085244507.db2.gz YOLZJNFVDKRIKV-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCc1ccc(Cl)cc1 ZINC001269262103 1085245244 /nfs/dbraw/zinc/24/52/44/1085245244.db2.gz YOLZJNFVDKRIKV-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001482211703 1085258212 /nfs/dbraw/zinc/25/82/12/1085258212.db2.gz CKRSMTLWZUJHLF-HNNXBMFYSA-N 0 3 316.445 3.379 20 30 DGEDHN C=C[C@@H](C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001269295505 1085277398 /nfs/dbraw/zinc/27/73/98/1085277398.db2.gz FYNUAAHNNMVAGS-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001269310006 1085295130 /nfs/dbraw/zinc/29/51/30/1085295130.db2.gz LXZDSIZHRYSTKD-INIZCTEOSA-N 0 3 305.466 3.406 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCN1CCC1CC1)c1ccccc1 ZINC001269349958 1085327201 /nfs/dbraw/zinc/32/72/01/1085327201.db2.gz FDCVZKBVCYJOCB-HKUYNNGSSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001269352970 1085334077 /nfs/dbraw/zinc/33/40/77/1085334077.db2.gz XYRFVUNXFUDJDD-MSOLQXFVSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](CC)NCc1ccc(F)c(F)c1 ZINC001269453604 1085393671 /nfs/dbraw/zinc/39/36/71/1085393671.db2.gz FVPIIZHJPBLHDR-OAHLLOKOSA-N 0 3 322.399 3.143 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1ccc(Cl)nc1 ZINC001269476944 1085409850 /nfs/dbraw/zinc/40/98/50/1085409850.db2.gz IMHRNPBSRHNPHY-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCc3cccc(F)c3)CC2)CCC1 ZINC001269484441 1085414259 /nfs/dbraw/zinc/41/42/59/1085414259.db2.gz KINWUVOPPUHEGI-UHFFFAOYSA-N 0 3 316.420 3.311 20 30 DGEDHN CC#CCNC1(CNC(=O)CCC(C)(C)c2ccccc2)CC1 ZINC001269544660 1085456347 /nfs/dbraw/zinc/45/63/47/1085456347.db2.gz NPQFWPBBQCEIJK-UHFFFAOYSA-N 0 3 312.457 3.006 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cncs2)CCCC1 ZINC001482231699 1085472002 /nfs/dbraw/zinc/47/20/02/1085472002.db2.gz WALFXPSAYIAYNR-UHFFFAOYSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCC(C)C ZINC001269601786 1085489123 /nfs/dbraw/zinc/48/91/23/1085489123.db2.gz OIXSIZQKVBCJOY-KSZLIROESA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001269692461 1085530246 /nfs/dbraw/zinc/53/02/46/1085530246.db2.gz LLFIWFVCBFLYEG-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)CC1 ZINC001269708945 1085537157 /nfs/dbraw/zinc/53/71/57/1085537157.db2.gz MZXSMHFYKZJYRY-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001482241542 1085560808 /nfs/dbraw/zinc/56/08/08/1085560808.db2.gz QOUDSSJEVGNRHK-UHFFFAOYSA-N 0 3 324.468 3.305 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cc(C)no2)C[C@H]1C ZINC001269936181 1085621599 /nfs/dbraw/zinc/62/15/99/1085621599.db2.gz DTUAKCQMEGHEEI-CABCVRRESA-N 0 3 319.449 3.054 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1cccc(C(C)C)n1 ZINC001270016559 1085656019 /nfs/dbraw/zinc/65/60/19/1085656019.db2.gz VCPQIQZKBBTKHK-QGZVFWFLSA-N 0 3 315.461 3.252 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270258905 1085753117 /nfs/dbraw/zinc/75/31/17/1085753117.db2.gz HUWRCTRJFUBSNX-CTNGQTDRSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cc(C)ns1)C1CCCC1 ZINC001270387319 1085795871 /nfs/dbraw/zinc/79/58/71/1085795871.db2.gz JWHVKIZSERMLNM-INIZCTEOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001482321680 1085962579 /nfs/dbraw/zinc/96/25/79/1085962579.db2.gz OZFQFLVHKWWNRC-KBPBESRZSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cncc(F)c2)CCCC1 ZINC001270750341 1085976807 /nfs/dbraw/zinc/97/68/07/1085976807.db2.gz XNZGFWIGOZYLIC-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(Cc2cccnc2)CC1 ZINC001270899292 1086162915 /nfs/dbraw/zinc/16/29/15/1086162915.db2.gz HPMZMXRZHJQUDL-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC(=C)C)CC1 ZINC001105393543 1086186486 /nfs/dbraw/zinc/18/64/86/1086186486.db2.gz AKKHNHZLADLGMG-IBGZPJMESA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001270919209 1086190267 /nfs/dbraw/zinc/19/02/67/1086190267.db2.gz INHZDFYEIFAHQA-INIZCTEOSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@](C)(F)CCCC)C1 ZINC001270973581 1086224435 /nfs/dbraw/zinc/22/44/35/1086224435.db2.gz CUXBBIPOVBUUBH-QZTJIDSGSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccoc2C2CC2)C1 ZINC001270981768 1086230246 /nfs/dbraw/zinc/23/02/46/1086230246.db2.gz BFPHIQVNNQOFLU-SFHVURJKSA-N 0 3 302.418 3.175 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001270990763 1086236029 /nfs/dbraw/zinc/23/60/29/1086236029.db2.gz FQWVCDHARWFEPI-LJQANCHMSA-N 0 3 315.461 3.223 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(Cl)c2F)C1 ZINC001270990772 1086236917 /nfs/dbraw/zinc/23/69/17/1086236917.db2.gz FTUXCQPGFNTNMX-KRWDZBQOSA-N 0 3 324.827 3.497 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CCNCc1ocnc1C ZINC001482450960 1086262423 /nfs/dbraw/zinc/26/24/23/1086262423.db2.gz PRNFPYBVEZKFDL-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001482457212 1086295358 /nfs/dbraw/zinc/29/53/58/1086295358.db2.gz QYHRDHDVCNCTMF-ZIAGYGMSSA-N 0 3 304.837 3.094 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)[C@H]1CC ZINC001087581194 1086313924 /nfs/dbraw/zinc/31/39/24/1086313924.db2.gz VHOJUBHIHJKVIS-DLBZAZTESA-N 0 3 316.445 3.081 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc(Cl)c2C)[C@H]1CC ZINC001087609670 1086325013 /nfs/dbraw/zinc/32/50/13/1086325013.db2.gz YDQQHEROPAQSHN-JKSUJKDBSA-N 0 3 321.852 3.202 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H]1CC ZINC001087738392 1086385913 /nfs/dbraw/zinc/38/59/13/1086385913.db2.gz XNFZZOVQQYQJGO-LSDHHAIUSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@H]1CC ZINC001087748089 1086394120 /nfs/dbraw/zinc/39/41/20/1086394120.db2.gz NMYJGZULJMCBLB-DLBZAZTESA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2F)[C@H]1CC ZINC001087766412 1086403458 /nfs/dbraw/zinc/40/34/58/1086403458.db2.gz XOJSCFZWSVXTRB-RRQGHBQHSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)[C@H]1CC ZINC001087802403 1086414856 /nfs/dbraw/zinc/41/48/56/1086414856.db2.gz OMGVGGHWZFUJCP-ZWKOTPCHSA-N 0 3 314.473 3.428 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@H]1CC ZINC001087795040 1086415006 /nfs/dbraw/zinc/41/50/06/1086415006.db2.gz LEUCQPAYHVUIBE-DLBZAZTESA-N 0 3 311.429 3.016 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H]1CC ZINC001087806524 1086418580 /nfs/dbraw/zinc/41/85/80/1086418580.db2.gz KMXFMJNUZVTYTN-UONOGXRCSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC(C)C)cc2)[C@H]1CC ZINC001087818974 1086425676 /nfs/dbraw/zinc/42/56/76/1086425676.db2.gz XPGJXOUWUNFRNB-ZWKOTPCHSA-N 0 3 316.445 3.243 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1CC ZINC001087818723 1086429048 /nfs/dbraw/zinc/42/90/48/1086429048.db2.gz JHYNHRXGCVKEIF-NWDGAFQWSA-N 0 3 310.850 3.008 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1CC ZINC001087843263 1086440091 /nfs/dbraw/zinc/44/00/91/1086440091.db2.gz NCBOMHSZCVPAJM-GTROLIPKSA-N 0 3 324.468 3.263 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(C3CC3)n2)[C@H]1CC ZINC001087846376 1086443349 /nfs/dbraw/zinc/44/33/49/1086443349.db2.gz ZBRZDBJVJXAZAX-DZGCQCFKSA-N 0 3 319.474 3.179 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001088223310 1086657239 /nfs/dbraw/zinc/65/72/39/1086657239.db2.gz WNUYRDUIPKPQDS-SQNIBIBYSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCCC(=O)N1CCC(CCN(C)Cc2cc(C)no2)CC1 ZINC001482502730 1086733918 /nfs/dbraw/zinc/73/39/18/1086733918.db2.gz QMWWSJFYPAIXHC-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2occc2C)C1 ZINC001088264163 1086737256 /nfs/dbraw/zinc/73/72/56/1086737256.db2.gz XCNHNJRGEZWKDB-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001088321801 1086793022 /nfs/dbraw/zinc/79/30/22/1086793022.db2.gz OBWYZXVGNXXNKE-KRWDZBQOSA-N 0 3 320.864 3.398 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1c(C)cc(C)nc1C)C(C)C ZINC001271869754 1086799401 /nfs/dbraw/zinc/79/94/01/1086799401.db2.gz QORISWCURONGGE-OAHLLOKOSA-N 0 3 323.868 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001088333284 1086805278 /nfs/dbraw/zinc/80/52/78/1086805278.db2.gz GPOGATDXKFBAHN-STQMWFEESA-N 0 3 320.811 3.145 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CCC(C)(C)C)C[C@]2(C)C1 ZINC001101432092 1086867432 /nfs/dbraw/zinc/86/74/32/1086867432.db2.gz AFGCGTBFBMTEIE-QKLQHJQFSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001088379155 1086889580 /nfs/dbraw/zinc/88/95/80/1086889580.db2.gz ALWPMHRUNAHXNO-HNNXBMFYSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccccc1Cl)C(C)C ZINC001482565640 1086926975 /nfs/dbraw/zinc/92/69/75/1086926975.db2.gz JQSSYLZWXABYLV-AWEZNQCLSA-N 0 3 315.244 3.437 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)Cc1ccc(OC)cc1 ZINC001482617832 1087083394 /nfs/dbraw/zinc/08/33/94/1087083394.db2.gz UEDYCHCAPYVKDG-UHFFFAOYSA-N 0 3 318.461 3.188 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3nc2C)[C@H]1C ZINC001088600915 1087123933 /nfs/dbraw/zinc/12/39/33/1087123933.db2.gz UKNZDPBXBBVDJT-QAPCUYQASA-N 0 3 323.440 3.312 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC001482685882 1087148913 /nfs/dbraw/zinc/14/89/13/1087148913.db2.gz QMTZQPDIRWETPQ-KBPBESRZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cscc1Cl ZINC001482844337 1087169278 /nfs/dbraw/zinc/16/92/78/1087169278.db2.gz LGAZRQSWHWIAOS-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC001482838324 1087168257 /nfs/dbraw/zinc/16/82/57/1087168257.db2.gz ASEWAJSTGHEWCT-XXXXFFMBSA-N 0 3 324.896 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001482858990 1087173985 /nfs/dbraw/zinc/17/39/85/1087173985.db2.gz FJSFIZSJRHURPM-QMMMGPOBSA-N 0 3 324.639 3.172 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001482859379 1087174218 /nfs/dbraw/zinc/17/42/18/1087174218.db2.gz JFMAEQFJNOIUFP-ZDUSSCGKSA-N 0 3 319.836 3.327 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2sccc2s1 ZINC001482934126 1087190652 /nfs/dbraw/zinc/19/06/52/1087190652.db2.gz QANVBLUFLICNRZ-UHFFFAOYSA-N 0 3 306.456 3.038 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CCC2CCC2)[C@H](OC)C1 ZINC001212098941 1087197433 /nfs/dbraw/zinc/19/74/33/1087197433.db2.gz RVBVEFVOAQIYQB-QZTJIDSGSA-N 0 3 324.509 3.353 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1csc(C(C)(C)C)n1 ZINC001272131909 1087215674 /nfs/dbraw/zinc/21/56/74/1087215674.db2.gz RAHNMIHPRTUWIR-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001272137021 1087216851 /nfs/dbraw/zinc/21/68/51/1087216851.db2.gz BJRRYXBPHUEODM-IRXDYDNUSA-N 0 3 306.494 3.252 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCCc1sccc1C ZINC001272158302 1087222920 /nfs/dbraw/zinc/22/29/20/1087222920.db2.gz HMVRUAFYVIVHBN-UHFFFAOYSA-N 0 3 308.491 3.346 20 30 DGEDHN C=C[C@@H](C(=O)N(C)CCN(C)CC=C(C)C)c1ccccc1 ZINC001272178084 1087231203 /nfs/dbraw/zinc/23/12/03/1087231203.db2.gz AXHPNORXYPSITE-GOSISDBHSA-N 0 3 300.446 3.313 20 30 DGEDHN C[C@@]1(C(=O)NC/C=C/CNCc2cccc(C#N)c2)CC=CCC1 ZINC001483012671 1087234697 /nfs/dbraw/zinc/23/46/97/1087234697.db2.gz PQXQPLORTAGAJN-RRFGBZISSA-N 0 3 323.440 3.067 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccccc1CC(C)(C)C ZINC001483021645 1087238419 /nfs/dbraw/zinc/23/84/19/1087238419.db2.gz AIYSPKHHUAMZDK-MDZDMXLPSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2-c2ccncc2)[C@H]1C ZINC001088661429 1087248223 /nfs/dbraw/zinc/24/82/23/1087248223.db2.gz CZZVTERDVCQXGI-BEFAXECRSA-N 0 3 321.424 3.127 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001483058615 1087311972 /nfs/dbraw/zinc/31/19/72/1087311972.db2.gz JZNSVTVMPRQVOI-IWAYRVGRSA-N 0 3 312.457 3.028 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1ccc(C)c(F)c1 ZINC001483063725 1087322743 /nfs/dbraw/zinc/32/27/43/1087322743.db2.gz FBZNOOYWEHBYRU-VOTSOKGWSA-N 0 3 318.436 3.498 20 30 DGEDHN CCCCCC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001483108853 1087348357 /nfs/dbraw/zinc/34/83/57/1087348357.db2.gz AFJSCUUIEZLBOZ-OAHLLOKOSA-N 0 3 320.864 3.366 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)CN[C@H](C)c2ccccc2F)cc1 ZINC001483155024 1087406668 /nfs/dbraw/zinc/40/66/68/1087406668.db2.gz LJVOCDPMPWKJMP-HUUCEWRRSA-N 0 3 324.399 3.276 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001483158085 1087407946 /nfs/dbraw/zinc/40/79/46/1087407946.db2.gz HMJBUBDXLXEBFB-OLZOCXBDSA-N 0 3 310.388 3.161 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483178384 1087411806 /nfs/dbraw/zinc/41/18/06/1087411806.db2.gz LBXGZWWCNAQFJI-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@@H](CC(=O)N[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001483185958 1087413225 /nfs/dbraw/zinc/41/32/25/1087413225.db2.gz HIFQGOYODHHTCX-KGLIPLIRSA-N 0 3 321.490 3.286 20 30 DGEDHN CC[C@H](CC(=O)N[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001483185959 1087413431 /nfs/dbraw/zinc/41/34/31/1087413431.db2.gz HIFQGOYODHHTCX-ZIAGYGMSSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1cccc(F)c1 ZINC001483330344 1087472984 /nfs/dbraw/zinc/47/29/84/1087472984.db2.gz CDOWHVIDJWPSJU-GJZGRUSLSA-N 0 3 304.409 3.127 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@H](C)c1cccc(F)c1 ZINC001483330345 1087472992 /nfs/dbraw/zinc/47/29/92/1087472992.db2.gz CDOWHVIDJWPSJU-HUUCEWRRSA-N 0 3 304.409 3.127 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001483495302 1087515265 /nfs/dbraw/zinc/51/52/65/1087515265.db2.gz WAMDRLCCJZLRMA-GJZGRUSLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001483500771 1087516202 /nfs/dbraw/zinc/51/62/02/1087516202.db2.gz ACUWXMSMGXGRRL-HUUCEWRRSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cscn2)[C@@H](CC)C1 ZINC001483622130 1087560493 /nfs/dbraw/zinc/56/04/93/1087560493.db2.gz RUAGEPJVMOTTCP-GOEBONIOSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483642761 1087598498 /nfs/dbraw/zinc/59/84/98/1087598498.db2.gz NQLQCSPENDAENJ-ZWKOTPCHSA-N 0 3 312.457 3.440 20 30 DGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2scnc2C(C)C)[C@H]1C ZINC001088907301 1087602026 /nfs/dbraw/zinc/60/20/26/1087602026.db2.gz KVMVVFXTQUFULL-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)[C@H]1C ZINC001088909220 1087602416 /nfs/dbraw/zinc/60/24/16/1087602416.db2.gz SRHILBFTTSPHGW-MDNKFWRPSA-N 0 3 324.468 3.009 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)[C@H]1C ZINC001088922011 1087605150 /nfs/dbraw/zinc/60/51/50/1087605150.db2.gz NTGSOVCGHINMSA-PBHICJAKSA-N 0 3 318.436 3.258 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001483658894 1087610774 /nfs/dbraw/zinc/61/07/74/1087610774.db2.gz PFUUMGWMOBVEIZ-SFHVURJKSA-N 0 3 312.457 3.166 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001483659753 1087611033 /nfs/dbraw/zinc/61/10/33/1087611033.db2.gz UDSZLXKKGKONPK-RURPWVQCSA-N 0 3 312.457 3.332 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979750 1087613953 /nfs/dbraw/zinc/61/39/53/1087613953.db2.gz CZWCQWREAZIYLW-ZNMIVQPWSA-N 0 3 306.475 3.315 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001483669280 1087616656 /nfs/dbraw/zinc/61/66/56/1087616656.db2.gz SMHGQXNKYFIXDB-INIZCTEOSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)[C@H]1C ZINC001089039638 1087625344 /nfs/dbraw/zinc/62/53/44/1087625344.db2.gz XQFZLESOMHTVIC-KDOFPFPSSA-N 0 3 309.413 3.060 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001483678416 1087635492 /nfs/dbraw/zinc/63/54/92/1087635492.db2.gz XXHCOEJQJQEPBY-QAPCUYQASA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001483679516 1087638981 /nfs/dbraw/zinc/63/89/81/1087638981.db2.gz KCSAKTQLPXNNBH-GXTWGEPZSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001483707946 1087683066 /nfs/dbraw/zinc/68/30/66/1087683066.db2.gz GCSLNZMCQKAOGK-IRXDYDNUSA-N 0 3 300.446 3.255 20 30 DGEDHN CCC[C@@H](C)CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272431746 1087701762 /nfs/dbraw/zinc/70/17/62/1087701762.db2.gz MTRLUYDXSRNQKD-AEFFLSMTSA-N 0 3 305.466 3.183 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001272449788 1087707957 /nfs/dbraw/zinc/70/79/57/1087707957.db2.gz VQGWKYYZBMPUOM-CQSZACIVSA-N 0 3 300.874 3.249 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001099160020 1087712981 /nfs/dbraw/zinc/71/29/81/1087712981.db2.gz ZABKZFLVMFFIPU-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)CC(C)(C)C1 ZINC001089283470 1087730670 /nfs/dbraw/zinc/73/06/70/1087730670.db2.gz NKOPWPINJDGVCH-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CN1CC2(CCC1=O)CCN(CCC(F)(F)F)CC2 ZINC001272502164 1087758800 /nfs/dbraw/zinc/75/88/00/1087758800.db2.gz IBXDCLIQZFLXKW-UHFFFAOYSA-N 0 3 318.383 3.220 20 30 DGEDHN CCCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001151921425 1087827810 /nfs/dbraw/zinc/82/78/10/1087827810.db2.gz KCSYYQFHNYUBJZ-OAHLLOKOSA-N 0 3 301.434 3.075 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(F)(F)F ZINC001158427259 1087829858 /nfs/dbraw/zinc/82/98/58/1087829858.db2.gz WPAQDSGOPARGRH-QWHCGFSZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1cccs1 ZINC001158480530 1087854773 /nfs/dbraw/zinc/85/47/73/1087854773.db2.gz NFYLHZZGFNJMCB-LSDHHAIUSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCC(F)(F)F ZINC001158507677 1087882002 /nfs/dbraw/zinc/88/20/02/1087882002.db2.gz MANMGPHROYZHLK-CYBMUJFWSA-N 0 3 306.372 3.218 20 30 DGEDHN CCC1(C(=O)NCCNCc2cccc(C#N)c2)CCCCC1 ZINC001152053871 1087883604 /nfs/dbraw/zinc/88/36/04/1087883604.db2.gz HVOKOLLJEIOJJT-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)CC(C)(C)C1 ZINC001089321609 1087988851 /nfs/dbraw/zinc/98/88/51/1087988851.db2.gz RSUJCYRGCCQACB-CYBMUJFWSA-N 0 3 322.836 3.177 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCNCc1cccc(F)c1F ZINC001158746625 1088005638 /nfs/dbraw/zinc/00/56/38/1088005638.db2.gz DBYYYGSTQFGOIW-UHFFFAOYSA-N 0 3 322.399 3.329 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccccc1 ZINC001158758484 1088012025 /nfs/dbraw/zinc/01/20/25/1088012025.db2.gz RGQFCTPONDKKPQ-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN CCC(C)(C)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001158809895 1088039625 /nfs/dbraw/zinc/03/96/25/1088039625.db2.gz HAAGJENOWYOTMH-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)cc1C ZINC001158811709 1088040846 /nfs/dbraw/zinc/04/08/46/1088040846.db2.gz NLKZXUMZDNTFEW-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(OCC)cc1 ZINC001158811946 1088044644 /nfs/dbraw/zinc/04/46/44/1088044644.db2.gz VJJHTCODCXNNHC-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1occc1C ZINC001099219858 1088053267 /nfs/dbraw/zinc/05/32/67/1088053267.db2.gz FLLYMIJZWCMNHX-INIZCTEOSA-N 0 3 318.461 3.313 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2cnccc21 ZINC001158857238 1088071302 /nfs/dbraw/zinc/07/13/02/1088071302.db2.gz XZZODDJKQHWULZ-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CC[C@H](Nc1ccc([C@H]2CCCCN2CC)cn1)C(=O)OC ZINC001158863074 1088076627 /nfs/dbraw/zinc/07/66/27/1088076627.db2.gz XPIJOFOLXUBISO-JKSUJKDBSA-N 0 3 317.433 3.158 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001152842247 1088095135 /nfs/dbraw/zinc/09/51/35/1088095135.db2.gz STBJPFCUZJWYSH-MRXNPFEDSA-N 0 3 318.436 3.346 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc(C(C)C)s1 ZINC001158976940 1088120652 /nfs/dbraw/zinc/12/06/52/1088120652.db2.gz OPCRBDMFJGAOGU-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1cc(C)sc1C ZINC001153012496 1088138988 /nfs/dbraw/zinc/13/89/88/1088138988.db2.gz MQKSMCJZBMINMM-CQSZACIVSA-N 0 3 320.502 3.495 20 30 DGEDHN C=C(C)CCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001159040052 1088155866 /nfs/dbraw/zinc/15/58/66/1088155866.db2.gz FOIYUKSSZRGFLZ-ZDUSSCGKSA-N 0 3 310.388 3.478 20 30 DGEDHN N#Cc1ccc(CNc2cc(Cl)nc3c2CCNC3)cc1F ZINC001159086940 1088173936 /nfs/dbraw/zinc/17/39/36/1088173936.db2.gz MSOLRAWUZKCGJJ-UHFFFAOYSA-N 0 3 316.767 3.004 20 30 DGEDHN CCN(Cc1csc(C)c1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266605 1088208329 /nfs/dbraw/zinc/20/83/29/1088208329.db2.gz WHZMOPAUKKLZDI-CQSZACIVSA-N 0 3 320.502 3.433 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)oc2ccccc21 ZINC001153560080 1088280573 /nfs/dbraw/zinc/28/05/73/1088280573.db2.gz AKGZCGSHYVLTHI-CQSZACIVSA-N 0 3 312.413 3.205 20 30 DGEDHN CCC[C@@H](C)CCCC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001153566338 1088284188 /nfs/dbraw/zinc/28/41/88/1088284188.db2.gz AYDVGODEJGSWLF-QZTJIDSGSA-N 0 3 324.509 3.069 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2ccccc2nc1C ZINC001153682349 1088325468 /nfs/dbraw/zinc/32/54/68/1088325468.db2.gz BVVHFVKRGBUTNI-OAHLLOKOSA-N 0 3 323.440 3.007 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1C(F)(F)F ZINC001099255500 1088345014 /nfs/dbraw/zinc/34/50/14/1088345014.db2.gz CXDBHQJITXNLGF-CHWSQXEVSA-N 0 3 320.399 3.224 20 30 DGEDHN N#CCc1ccccc1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001235512726 1088355392 /nfs/dbraw/zinc/35/53/92/1088355392.db2.gz UUTYGGZPZOEZEM-AWEZNQCLSA-N 0 3 300.299 3.477 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H](C)N(CC)Cc2ccsc2)CCC1 ZINC001153783857 1088358948 /nfs/dbraw/zinc/35/89/48/1088358948.db2.gz UFAYSTFWBCULIH-OAHLLOKOSA-N 0 3 318.486 3.268 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001153879514 1088392435 /nfs/dbraw/zinc/39/24/35/1088392435.db2.gz HUUPSCPUCDXYSB-BHIYHBOVSA-N 0 3 318.505 3.443 20 30 DGEDHN N#Cc1ccccc1OC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001203193649 1088396826 /nfs/dbraw/zinc/39/68/26/1088396826.db2.gz VVDSOCYSBDEZJB-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(C#N)cc(Cl)n1 ZINC001159590596 1088404974 /nfs/dbraw/zinc/40/49/74/1088404974.db2.gz SHHWOZYYOYZQQN-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN Cc1ccc(C#N)c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001159592191 1088407135 /nfs/dbraw/zinc/40/71/35/1088407135.db2.gz MTTZWXOHPIKWDE-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001272646773 1088423111 /nfs/dbraw/zinc/42/31/11/1088423111.db2.gz UZMGYCBVMZMNTI-RTBURBONSA-N 0 3 323.440 3.090 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)CC(C)(C)C1 ZINC001089359884 1088493956 /nfs/dbraw/zinc/49/39/56/1088493956.db2.gz JLIYCUJFSBVINI-INIZCTEOSA-N 0 3 316.445 3.140 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2sc(C)cc2C)CC(C)(C)C1 ZINC001089399002 1088566607 /nfs/dbraw/zinc/56/66/07/1088566607.db2.gz ROGOZMQRSJGHQK-OAHLLOKOSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)CC(C)(C)C1 ZINC001089416773 1088583528 /nfs/dbraw/zinc/58/35/28/1088583528.db2.gz PKAMVIWLEKHUIH-ZWKOTPCHSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)CC(C)(C)C1 ZINC001089434717 1088600004 /nfs/dbraw/zinc/60/00/04/1088600004.db2.gz WFFHIGUBPSNFBG-CQSZACIVSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)CC(C)(C)C1 ZINC001089439285 1088603198 /nfs/dbraw/zinc/60/31/98/1088603198.db2.gz CTHUETMKJKJCJR-KRWDZBQOSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)CC(C)(C)C1 ZINC001089467389 1088656553 /nfs/dbraw/zinc/65/65/53/1088656553.db2.gz SQWVOUCHIPNPJR-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001154605545 1088671898 /nfs/dbraw/zinc/67/18/98/1088671898.db2.gz KGXDDUYZBPNXER-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2occc2Cl)CC(C)(C)C1 ZINC001089479949 1088674896 /nfs/dbraw/zinc/67/48/96/1088674896.db2.gz LYPXJECUKYTNAD-CYBMUJFWSA-N 0 3 322.836 3.177 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C)nc1C ZINC001154620440 1088680982 /nfs/dbraw/zinc/68/09/82/1088680982.db2.gz JAOLRXLZFWVIRX-OAHLLOKOSA-N 0 3 317.477 3.237 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2sc(C)cc2C)CC1 ZINC001160247107 1088719744 /nfs/dbraw/zinc/71/97/44/1088719744.db2.gz GQHSCZCQDLKCKK-UHFFFAOYSA-N 0 3 316.470 3.140 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)CC(C)(C)C1 ZINC001089539291 1088723750 /nfs/dbraw/zinc/72/37/50/1088723750.db2.gz KJTBUIGBUYBLPS-WMZOPIPTSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001160261707 1088729160 /nfs/dbraw/zinc/72/91/60/1088729160.db2.gz RCRNGXOVWNHQJD-WKILWMFISA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3c(o2)CCCC3)CC1 ZINC001160324507 1088755385 /nfs/dbraw/zinc/75/53/85/1088755385.db2.gz MQBADTPQXAYEHX-UHFFFAOYSA-N 0 3 314.429 3.096 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cc1ccccc1 ZINC001272670771 1088769110 /nfs/dbraw/zinc/76/91/10/1088769110.db2.gz ZGHWCLZYNRGYDA-UHFFFAOYSA-N 0 3 308.425 3.163 20 30 DGEDHN N#Cc1ccc(-c2cccs2)nc1Nc1ccc(CN)nc1 ZINC001160401828 1088786342 /nfs/dbraw/zinc/78/63/42/1088786342.db2.gz BHVYPUFVGGVPMS-UHFFFAOYSA-N 0 3 307.382 3.279 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001089602084 1088797442 /nfs/dbraw/zinc/79/74/42/1088797442.db2.gz VWAOMKUYXNJKQU-MRXNPFEDSA-N 0 3 304.409 3.232 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001089603958 1088807050 /nfs/dbraw/zinc/80/70/50/1088807050.db2.gz ANHNVIOOHMCKPX-AWEZNQCLSA-N 0 3 323.868 3.465 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC001160485686 1088830577 /nfs/dbraw/zinc/83/05/77/1088830577.db2.gz KJFWWRXFXKDVSO-ICSRJNTNSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1C ZINC001089625737 1088843254 /nfs/dbraw/zinc/84/32/54/1088843254.db2.gz QJNXOXVSWDJSJV-INIZCTEOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001160530509 1088855655 /nfs/dbraw/zinc/85/56/55/1088855655.db2.gz JXEBKKKHWYIXAE-ZWKOTPCHSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)sc2C)CC1 ZINC001160613572 1088894852 /nfs/dbraw/zinc/89/48/52/1088894852.db2.gz PWPFJPJAGOQGSY-UHFFFAOYSA-N 0 3 304.459 3.303 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC(C)C)C1 ZINC001483802938 1088903345 /nfs/dbraw/zinc/90/33/45/1088903345.db2.gz XLHWLNKZPUQYCT-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001483832949 1088936700 /nfs/dbraw/zinc/93/67/00/1088936700.db2.gz QUOQQGSXKDEXBM-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001160925810 1089024177 /nfs/dbraw/zinc/02/41/77/1089024177.db2.gz MMHNVJVKMCZQIE-UHFFFAOYSA-N 0 3 321.852 3.232 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001483941799 1089025718 /nfs/dbraw/zinc/02/57/18/1089025718.db2.gz DQEHXOFANAGDIM-MRXNPFEDSA-N 0 3 304.409 3.263 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ncc2ccc(Cl)cc2n1 ZINC001160954610 1089040636 /nfs/dbraw/zinc/04/06/36/1089040636.db2.gz ZTCVBVQTPXJSRI-AWEZNQCLSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2ccsc2)nn1 ZINC001160957093 1089041417 /nfs/dbraw/zinc/04/14/17/1089041417.db2.gz FEKCLEJFUMVNFN-AWEZNQCLSA-N 0 3 300.431 3.267 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001089658540 1089045757 /nfs/dbraw/zinc/04/57/57/1089045757.db2.gz LYPSSUVEDRPAEI-OAHLLOKOSA-N 0 3 303.450 3.038 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001483978722 1089065110 /nfs/dbraw/zinc/06/51/10/1089065110.db2.gz FBXHVENXQFBJQY-HNNXBMFYSA-N 0 3 316.420 3.223 20 30 DGEDHN C#CCN(C(=O)CCCC)C1CCN(Cc2ccccc2)CC1 ZINC001483981227 1089067010 /nfs/dbraw/zinc/06/70/10/1089067010.db2.gz VHVOABPWCGIBCH-UHFFFAOYSA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCCCC(=O)NCCC1=CCN(CCOCC(C)C)CC1 ZINC001161056609 1089093900 /nfs/dbraw/zinc/09/39/00/1089093900.db2.gz LZENFPGTXAAUCN-UHFFFAOYSA-N 0 3 322.493 3.154 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001089672138 1089099981 /nfs/dbraw/zinc/09/99/81/1089099981.db2.gz GOZAXNJTKPLTJN-GPMSIDNRSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CCCc2ccccc2)CC1 ZINC001161084815 1089110316 /nfs/dbraw/zinc/11/03/16/1089110316.db2.gz SUZUVDUVHHXSTN-UHFFFAOYSA-N 0 3 324.468 3.171 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)CN2CC=C)cc1 ZINC001089679876 1089134367 /nfs/dbraw/zinc/13/43/67/1089134367.db2.gz BWZTWYGLQQQFFH-GOSISDBHSA-N 0 3 310.441 3.074 20 30 DGEDHN N#CC1(c2ccc(N[C@@H]3CNCc4ccsc43)nc2)CCC1 ZINC001155560917 1089163660 /nfs/dbraw/zinc/16/36/60/1089163660.db2.gz JJSLUBQAJVRFHX-CQSZACIVSA-N 0 3 310.426 3.345 20 30 DGEDHN N#CC1(c2ccc(N[C@H]3CNCc4ccsc43)nc2)CCC1 ZINC001155560915 1089164609 /nfs/dbraw/zinc/16/46/09/1089164609.db2.gz JJSLUBQAJVRFHX-AWEZNQCLSA-N 0 3 310.426 3.345 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccccc2Cl)C1 ZINC001484069365 1089165566 /nfs/dbraw/zinc/16/55/66/1089165566.db2.gz IOPTZFRDRYKVQY-KRWDZBQOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1)C1CCCCC1 ZINC001161247647 1089168585 /nfs/dbraw/zinc/16/85/85/1089168585.db2.gz FXPLEVYDLBBIBP-JSGCOSHPSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001089689186 1089174149 /nfs/dbraw/zinc/17/41/49/1089174149.db2.gz CDMLEVKTIGUUIO-UYSNPLJNSA-N 0 3 310.457 3.308 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001155581311 1089174427 /nfs/dbraw/zinc/17/44/27/1089174427.db2.gz PRRWLVWKLOULOB-CVEARBPZSA-N 0 3 315.461 3.177 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1occc1Cl ZINC001089689321 1089174374 /nfs/dbraw/zinc/17/43/74/1089174374.db2.gz CXPKQTOFSFXPEU-ZDUSSCGKSA-N 0 3 322.836 3.177 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@](C)(CNCc2nccs2)C1 ZINC001484108096 1089193809 /nfs/dbraw/zinc/19/38/09/1089193809.db2.gz NCIDCBFDFZWBAZ-RHSMWYFYSA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC001484143690 1089221402 /nfs/dbraw/zinc/22/14/02/1089221402.db2.gz WFHGONQCEFGWSO-IAGOWNOFSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001089702736 1089227642 /nfs/dbraw/zinc/22/76/42/1089227642.db2.gz CMXGIAKEIFNJKE-OAHLLOKOSA-N 0 3 303.450 3.038 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC001161445516 1089247117 /nfs/dbraw/zinc/24/71/17/1089247117.db2.gz TXEASPYIVYNZQK-VQTJNVASSA-N 0 3 324.468 3.423 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)n(CC)c2C)C1 ZINC001484162170 1089251361 /nfs/dbraw/zinc/25/13/61/1089251361.db2.gz DAZTZEBATKEKAA-LJQANCHMSA-N 0 3 317.477 3.143 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)cc2C)C1 ZINC001484173513 1089255185 /nfs/dbraw/zinc/25/51/85/1089255185.db2.gz DCSRDTJXBZUMPB-IBGZPJMESA-N 0 3 300.446 3.321 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC001484173687 1089255943 /nfs/dbraw/zinc/25/59/43/1089255943.db2.gz LSSXHARYIJFLLU-GOSISDBHSA-N 0 3 318.848 3.195 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2coc(C(F)F)c2)C1 ZINC001484167289 1089262789 /nfs/dbraw/zinc/26/27/89/1089262789.db2.gz QYYNRFBWCDLXPX-QGZVFWFLSA-N 0 3 324.371 3.072 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001484174806 1089272272 /nfs/dbraw/zinc/27/22/72/1089272272.db2.gz LEZWJUBPWLSEOX-LJQANCHMSA-N 0 3 300.446 3.321 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001161621879 1089316837 /nfs/dbraw/zinc/31/68/37/1089316837.db2.gz CSKFCOGVGLCRCH-MOPGFXCFSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CCCC1 ZINC001089748700 1089327146 /nfs/dbraw/zinc/32/71/46/1089327146.db2.gz AHRZAWWYMCSBJX-YVSFHVDLSA-N 0 3 322.880 3.098 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@H](CC)C(C)C)CC1 ZINC001161733675 1089379105 /nfs/dbraw/zinc/37/91/05/1089379105.db2.gz IKCTXGFVINBBMS-SFHVURJKSA-N 0 3 304.478 3.220 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cc(C)oc1C ZINC001484398394 1089395789 /nfs/dbraw/zinc/39/57/89/1089395789.db2.gz WUDBOBRLMCYKBR-UHFFFAOYSA-N 0 3 324.424 3.152 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1c(C)oc(C)c1C ZINC001484398956 1089397391 /nfs/dbraw/zinc/39/73/91/1089397391.db2.gz RAIGSOHHVFTEGY-UHFFFAOYSA-N 0 3 324.424 3.070 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2ccccc2Cl)CC1 ZINC001161823928 1089424409 /nfs/dbraw/zinc/42/44/09/1089424409.db2.gz ANGODCOVLDBSIP-UHFFFAOYSA-N 0 3 318.848 3.207 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2sccc2CC)CC1 ZINC001161924747 1089474488 /nfs/dbraw/zinc/47/44/88/1089474488.db2.gz IYLJLITWQGNOAM-UHFFFAOYSA-N 0 3 316.470 3.086 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc[nH]c1CC ZINC001484554448 1089489087 /nfs/dbraw/zinc/48/90/87/1089489087.db2.gz WDTRCWAYUBCNBF-UHFFFAOYSA-N 0 3 311.429 3.125 20 30 DGEDHN CC(=O)NCc1ccc([C@H](C)NCC#Cc2ccccc2)cc1 ZINC001484557073 1089490987 /nfs/dbraw/zinc/49/09/87/1089490987.db2.gz NYCFUGUYFMKHIO-INIZCTEOSA-N 0 3 306.409 3.025 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001161959463 1089493911 /nfs/dbraw/zinc/49/39/11/1089493911.db2.gz SMUHXCKJSZGSRE-DAWZGUTISA-N 0 3 302.462 3.137 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001161968152 1089497973 /nfs/dbraw/zinc/49/79/73/1089497973.db2.gz IDDPEWVNSUMYKR-SFHVURJKSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001161968265 1089498217 /nfs/dbraw/zinc/49/82/17/1089498217.db2.gz MMONGLQSLSCRQL-GOSISDBHSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2=CCCC2)C1 ZINC001089796720 1089514382 /nfs/dbraw/zinc/51/43/82/1089514382.db2.gz WLUCGBFAQBXFTI-QAETUUGQSA-N 0 3 320.864 3.018 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CCC)C(C)C)C2)CC1 ZINC001484582286 1089518770 /nfs/dbraw/zinc/51/87/70/1089518770.db2.gz HAEZAGYJMCGIIX-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCc2ccc(C)s2)CC1 ZINC001162006692 1089520614 /nfs/dbraw/zinc/52/06/14/1089520614.db2.gz ICPNLWZSGSWYLL-UHFFFAOYSA-N 0 3 318.486 3.314 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(F)c(C)c1)CC2 ZINC001272686511 1089538920 /nfs/dbraw/zinc/53/89/20/1089538920.db2.gz LORJHFSWPZWKKS-MRXNPFEDSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1scnc1C ZINC001484618120 1089540882 /nfs/dbraw/zinc/54/08/82/1089540882.db2.gz YOLLDXRWOSCQCD-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C[C@@H](C(=O)NCC1(NC[C@H](F)CC)CCC1)c1ccccc1 ZINC001484662906 1089581485 /nfs/dbraw/zinc/58/14/85/1089581485.db2.gz AEISMVLSCBXHCZ-IAGOWNOFSA-N 0 3 318.436 3.333 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2cc(C)ccc2n1 ZINC001162210397 1089608741 /nfs/dbraw/zinc/60/87/41/1089608741.db2.gz UBYLSDRRSXUOLQ-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)csc1Cl ZINC001156624370 1089617855 /nfs/dbraw/zinc/61/78/55/1089617855.db2.gz XCUMLYFWIAFSMR-GFCCVEGCSA-N 0 3 312.866 3.173 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CCCCc2ccccc2)CC1 ZINC001484721861 1089633545 /nfs/dbraw/zinc/63/35/45/1089633545.db2.gz CGZBIOOLNBKEEL-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CCCCc2ccccc2)CC1 ZINC001484721860 1089634122 /nfs/dbraw/zinc/63/41/22/1089634122.db2.gz CGZBIOOLNBKEEL-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001162251957 1089637469 /nfs/dbraw/zinc/63/74/69/1089637469.db2.gz ZGIZZSNHOIRMDG-SJORKVTESA-N 0 3 320.864 3.419 20 30 DGEDHN CN1CCC[C@@](C)(Nc2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC001162339795 1089680874 /nfs/dbraw/zinc/68/08/74/1089680874.db2.gz MVQFHFJOMQKYAE-LJQANCHMSA-N 0 3 312.461 3.463 20 30 DGEDHN Cc1c(Cl)c(Cl)nc(N[C@]2(C)CCCN(C)C2)c1C#N ZINC001162343011 1089683873 /nfs/dbraw/zinc/68/38/73/1089683873.db2.gz ZHRARCWOKXPYKU-CQSZACIVSA-N 0 3 313.232 3.465 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1 ZINC001272691499 1089711472 /nfs/dbraw/zinc/71/14/72/1089711472.db2.gz LYMYMPRJHAVUEI-PCUGXKRQSA-N 0 3 321.424 3.018 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cc(F)ccc2s1 ZINC001156839035 1089715408 /nfs/dbraw/zinc/71/54/08/1089715408.db2.gz AEKULKSAQXGUKI-GFCCVEGCSA-N 0 3 318.417 3.114 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2(F)CCCC2)cc1 ZINC001272692165 1089732218 /nfs/dbraw/zinc/73/22/18/1089732218.db2.gz RBHLTBQKMVBTNW-OAHLLOKOSA-N 0 3 316.420 3.259 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C23CCC(CC2)C3)cc1 ZINC001272692384 1089752517 /nfs/dbraw/zinc/75/25/17/1089752517.db2.gz UJODSPNFZFJBPJ-LSWWBPAMSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1oc2ccccc2c1CC ZINC001157190123 1089865623 /nfs/dbraw/zinc/86/56/23/1089865623.db2.gz BQHOBSIBOJOWGS-CQSZACIVSA-N 0 3 312.413 3.069 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cnc2ccccc2c1C ZINC001162757463 1089928786 /nfs/dbraw/zinc/92/87/86/1089928786.db2.gz CNVHBVOSULHCRE-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN C=C(C)CCC(=O)N(CCNCC#CC)CCc1ccccc1 ZINC001162827442 1089981043 /nfs/dbraw/zinc/98/10/43/1089981043.db2.gz YMYUNJCXNNLDDJ-UHFFFAOYSA-N 0 3 312.457 3.027 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C[C@@H]1C=CCCC1 ZINC001162841106 1089986597 /nfs/dbraw/zinc/98/65/97/1089986597.db2.gz MDDYHILFYYKYNS-HXUWFJFHSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485155017 1089991868 /nfs/dbraw/zinc/99/18/68/1089991868.db2.gz ZWUKPSSOXYSLLN-JKSUJKDBSA-N 0 3 316.420 3.016 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C1(CC=C)CCC1 ZINC001162919592 1090026734 /nfs/dbraw/zinc/02/67/34/1090026734.db2.gz WKXFVFPUBKOUHY-UHFFFAOYSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1cnc(C)o1 ZINC001485259554 1090054641 /nfs/dbraw/zinc/05/46/41/1090054641.db2.gz XPJXSLWKFOOUSV-GOSISDBHSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)CCOCCCC ZINC001157662049 1090062842 /nfs/dbraw/zinc/06/28/42/1090062842.db2.gz VXYGNBHXBWAIME-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)CCOCCC(C)C ZINC001157661603 1090063362 /nfs/dbraw/zinc/06/33/62/1090063362.db2.gz GFJCYLBXSKOJGI-GOSISDBHSA-N 0 3 324.509 3.328 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485297947 1090089157 /nfs/dbraw/zinc/08/91/57/1090089157.db2.gz OWHLJHVTHFNZJQ-KBXCAEBGSA-N 0 3 316.420 3.053 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001163164324 1090097153 /nfs/dbraw/zinc/09/71/53/1090097153.db2.gz OGGDTRJSDLDLTM-HZPDHXFCSA-N 0 3 324.827 3.168 20 30 DGEDHN N#Cc1cc2ccccc2nc1N[C@@H]1CNCc2ccsc21 ZINC001163220337 1090121136 /nfs/dbraw/zinc/12/11/36/1090121136.db2.gz OXTALGNXGRNVRG-OAHLLOKOSA-N 0 3 306.394 3.424 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(OC)c1C ZINC001485338427 1090122699 /nfs/dbraw/zinc/12/26/99/1090122699.db2.gz KWDLUZYNNADZGP-AWEZNQCLSA-N 0 3 318.461 3.152 20 30 DGEDHN N#Cc1ccc2cc(N[C@H]3CNCc4ccsc43)ccc2n1 ZINC001163228812 1090126571 /nfs/dbraw/zinc/12/65/71/1090126571.db2.gz DEDQKJAADCPLGS-INIZCTEOSA-N 0 3 306.394 3.424 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)C1(C)CC1 ZINC001485463986 1090165871 /nfs/dbraw/zinc/16/58/71/1090165871.db2.gz RSBPCFCDIUDDPI-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1csc(C)c1C ZINC001157994630 1090167535 /nfs/dbraw/zinc/16/75/35/1090167535.db2.gz OZYOPRLWCFHYDL-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN N#CCc1ccc(C(F)(F)F)cc1N[C@H]1CN2CCC1CC2 ZINC001163394612 1090174951 /nfs/dbraw/zinc/17/49/51/1090174951.db2.gz IWMICASYCHNWRT-HNNXBMFYSA-N 0 3 309.335 3.278 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001485482831 1090187851 /nfs/dbraw/zinc/18/78/51/1090187851.db2.gz RVVBTHLQSCIZBG-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cccc(CC)c1 ZINC001158142112 1090190086 /nfs/dbraw/zinc/19/00/86/1090190086.db2.gz KYLINWDTCGKBDG-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001485502749 1090195456 /nfs/dbraw/zinc/19/54/56/1090195456.db2.gz KTGTXPYPTLZDER-MRXNPFEDSA-N 0 3 324.468 3.160 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC001485579901 1090216953 /nfs/dbraw/zinc/21/69/53/1090216953.db2.gz XADQKWBUMVVQTM-AWEZNQCLSA-N 0 3 321.490 3.330 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC001485580645 1090217646 /nfs/dbraw/zinc/21/76/46/1090217646.db2.gz MZFGRKNUPFQVIV-AEFFLSMTSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001163604845 1090218537 /nfs/dbraw/zinc/21/85/37/1090218537.db2.gz GINLBUYMCIDXDQ-UHFFFAOYSA-N 0 3 314.389 3.087 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C#CC(C)(C)C)C[C@@H]2C1 ZINC001485655094 1090229703 /nfs/dbraw/zinc/22/97/03/1090229703.db2.gz UALOOEIZDZSRDF-XHSDSOJGSA-N 0 3 322.880 3.005 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC3(C)CC3)C[C@@H]2C1 ZINC001485658738 1090232266 /nfs/dbraw/zinc/23/22/66/1090232266.db2.gz UXMYJKLGKBKSID-ZNMIVQPWSA-N 0 3 310.869 3.146 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)CC(C)C)C[C@]2(C)C1 ZINC001485669007 1090236126 /nfs/dbraw/zinc/23/61/26/1090236126.db2.gz NKVMXUPMFCLESD-YSIASYRMSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC001485718253 1090248851 /nfs/dbraw/zinc/24/88/51/1090248851.db2.gz PZXIOVWHWBZCKN-LBPRGKRZSA-N 0 3 302.821 3.411 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1(C(F)F)CCC1 ZINC001485737462 1090255302 /nfs/dbraw/zinc/25/53/02/1090255302.db2.gz VKKAUSWYAQUFGO-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCCC(=O)N1CCC(N(C)Cc2ccnc(Cl)c2)CC1 ZINC001485754301 1090261041 /nfs/dbraw/zinc/26/10/41/1090261041.db2.gz AMOPWEDBZDMIIJ-UHFFFAOYSA-N 0 3 321.852 3.124 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001163861100 1090276464 /nfs/dbraw/zinc/27/64/64/1090276464.db2.gz UTOGXFKGPYCEIJ-UHFFFAOYSA-N 0 3 324.852 3.244 20 30 DGEDHN CC(C)=C(C)CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001164043928 1090325737 /nfs/dbraw/zinc/32/57/37/1090325737.db2.gz LVVJZAYCOHOHLN-UHFFFAOYSA-N 0 3 317.408 3.040 20 30 DGEDHN N#Cc1ccccc1CNCC1(CCNC(=O)C2=CCCC2)CC1 ZINC001164075780 1090335025 /nfs/dbraw/zinc/33/50/25/1090335025.db2.gz LIBCNOXIBJUZCB-UHFFFAOYSA-N 0 3 323.440 3.045 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001164222833 1090377461 /nfs/dbraw/zinc/37/74/61/1090377461.db2.gz NHFAHEWMUXYZKC-STQMWFEESA-N 0 3 310.388 3.019 20 30 DGEDHN CCCC1(C(=O)NCCCNCc2ccccc2C#N)CCC1 ZINC001164234069 1090382044 /nfs/dbraw/zinc/38/20/44/1090382044.db2.gz QIHZXJKVXQITOF-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164360774 1090412971 /nfs/dbraw/zinc/41/29/71/1090412971.db2.gz SXEGFSMGAMKBDV-ZDUSSCGKSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCCC)CC2(CCOCC2)C1 ZINC001099564311 1090428008 /nfs/dbraw/zinc/42/80/08/1090428008.db2.gz VXHPZPIGUYHHPO-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107512471 1090453169 /nfs/dbraw/zinc/45/31/69/1090453169.db2.gz CBNVLQMDXXEYIF-IPPDXURASA-N 0 3 322.880 3.293 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@H](C)CCC)C[C@H](C)O2 ZINC001111539435 1090454958 /nfs/dbraw/zinc/45/49/58/1090454958.db2.gz ZDBSEOYFBHKVBA-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCCCCCCCS(=O)(=O)N1CCN[C@H](C)CC1 ZINC001238991129 1090478210 /nfs/dbraw/zinc/47/82/10/1090478210.db2.gz ZIYAXSODEGTMJF-MRXNPFEDSA-N 0 3 318.527 3.141 20 30 DGEDHN Cc1cc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)ncc1C#N ZINC001165203455 1090480286 /nfs/dbraw/zinc/48/02/86/1090480286.db2.gz WOXORYVTPHKMRK-DLBZAZTESA-N 0 3 320.440 3.361 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCCCC)CC2(CCOCC2)C1 ZINC001099596524 1090555749 /nfs/dbraw/zinc/55/57/49/1090555749.db2.gz FWTYHRNWMVFRNG-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C1CCC(C(=O)NCCCNCc2nc(C)c(C)s2)CC1 ZINC001165900097 1090558909 /nfs/dbraw/zinc/55/89/09/1090558909.db2.gz ASQSXGBHTFMKGO-UHFFFAOYSA-N 0 3 321.490 3.102 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001165922070 1090561479 /nfs/dbraw/zinc/56/14/79/1090561479.db2.gz ZWOPKPNQYQKYNM-GOSISDBHSA-N 0 3 321.465 3.305 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1oc(CCC)nc1C ZINC001165921679 1090561541 /nfs/dbraw/zinc/56/15/41/1090561541.db2.gz QGZUSIDXAIWJGV-SFHVURJKSA-N 0 3 321.465 3.134 20 30 DGEDHN COc1ccc([C@H]2C[C@H](NCc3cc(C#N)co3)CCO2)cc1 ZINC001168624436 1090634128 /nfs/dbraw/zinc/63/41/28/1090634128.db2.gz OHDVUTPVTUKRQW-CRAIPNDOSA-N 0 3 312.369 3.170 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(C(F)F)CCC2)CC1 ZINC001166809151 1090660555 /nfs/dbraw/zinc/66/05/55/1090660555.db2.gz QDHSIQGVLOSVIK-UHFFFAOYSA-N 0 3 320.811 3.050 20 30 DGEDHN C=CCN1c2ccccc2C2(CCN(Cc3ccc[nH]3)CC2)C1=O ZINC001272925977 1090693882 /nfs/dbraw/zinc/69/38/82/1090693882.db2.gz MTFPKRIBWADOLD-UHFFFAOYSA-N 0 3 321.424 3.081 20 30 DGEDHN C[C@H](CN(C)C(=O)/C=C/C(C)(C)C)NCc1ccc(C#N)s1 ZINC001485854804 1090708908 /nfs/dbraw/zinc/70/89/08/1090708908.db2.gz HFDSMQWUZRDTJW-MMQHEFTJSA-N 0 3 319.474 3.159 20 30 DGEDHN C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC001203290262 1090713126 /nfs/dbraw/zinc/71/31/26/1090713126.db2.gz YSEDJQNURHWFNE-SFHVURJKSA-N 0 3 318.417 3.199 20 30 DGEDHN C#CC[C@@H](COC)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001203295916 1090714849 /nfs/dbraw/zinc/71/48/49/1090714849.db2.gz ZOBYZVOPOHMBRR-INIZCTEOSA-N 0 3 318.417 3.162 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001485920709 1090727978 /nfs/dbraw/zinc/72/79/78/1090727978.db2.gz WAKILCPVVWAKFM-SUMWQHHRSA-N 0 3 323.868 3.274 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCC(C)(C)C)CCC[C@H]12 ZINC001486150328 1090764381 /nfs/dbraw/zinc/76/43/81/1090764381.db2.gz XIAGXBPFVKGFMP-QFBILLFUSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCC(C)(C)C)CCC[C@@H]12 ZINC001486150329 1090765190 /nfs/dbraw/zinc/76/51/90/1090765190.db2.gz XIAGXBPFVKGFMP-VQIMIIECSA-N 0 3 304.478 3.339 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCCN(CC2=CCCCC2)[C@@H]1C ZINC001486173850 1090773968 /nfs/dbraw/zinc/77/39/68/1090773968.db2.gz NSLHLCCFUSOKRZ-AEFFLSMTSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001486182817 1090779615 /nfs/dbraw/zinc/77/96/15/1090779615.db2.gz ZPVLYVNBHHOKFA-WBVHZDCISA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C(C)(C)C1 ZINC001486229700 1090789757 /nfs/dbraw/zinc/78/97/57/1090789757.db2.gz YHFZTRIYGPXHDB-AWEZNQCLSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2c(C)cc(C)cc2C)C1 ZINC001203740145 1090792381 /nfs/dbraw/zinc/79/23/81/1090792381.db2.gz CZXWUXAKOQRNQN-QGZVFWFLSA-N 0 3 316.445 3.488 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccc(C)s1)C(C)C ZINC001486380871 1090816975 /nfs/dbraw/zinc/81/69/75/1090816975.db2.gz XCKHYXOJVXXHPW-UHFFFAOYSA-N 0 3 308.491 3.344 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3cccc(O)c3)C2)cc1 ZINC001203866902 1090824238 /nfs/dbraw/zinc/82/42/38/1090824238.db2.gz FXHZPPUVGPGXDR-IBGZPJMESA-N 0 3 308.381 3.307 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C=C(CC)CC)CC[C@@H]1C(F)(F)F ZINC001486451313 1090840159 /nfs/dbraw/zinc/84/01/59/1090840159.db2.gz MEJHJXHOXQMKCO-UONOGXRCSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)CC=C)CC[C@H]1C(F)(F)F ZINC001486452448 1090843464 /nfs/dbraw/zinc/84/34/64/1090843464.db2.gz JBYKSEQUEXGBOY-OLZOCXBDSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)CC=C)CC[C@@H]1C(F)(F)F ZINC001486452450 1090843497 /nfs/dbraw/zinc/84/34/97/1090843497.db2.gz JBYKSEQUEXGBOY-STQMWFEESA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCCc2cccs2)CC1 ZINC001486520122 1090866014 /nfs/dbraw/zinc/86/60/14/1090866014.db2.gz FBUKWQPKOFEGBY-UHFFFAOYSA-N 0 3 304.459 3.005 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2CC(C)(C)C2)c(F)c1 ZINC001486522455 1090867111 /nfs/dbraw/zinc/86/71/11/1090867111.db2.gz FIBIFXSBBGYMHD-UHFFFAOYSA-N 0 3 304.409 3.154 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccccc1OC(C)C ZINC001128242816 1090922657 /nfs/dbraw/zinc/92/26/57/1090922657.db2.gz XBACPMOOFRJXQE-UHFFFAOYSA-N 0 3 318.461 3.282 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(CC)cc2)C1=O ZINC001272971400 1090943666 /nfs/dbraw/zinc/94/36/66/1090943666.db2.gz HZTOYKXCMQBGQB-HXUWFJFHSA-N 0 3 312.457 3.392 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(CC)cc3)CC2)C1=O ZINC001272971950 1090944537 /nfs/dbraw/zinc/94/45/37/1090944537.db2.gz MZDNELVLMLWCPK-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN CCCCCCCCOc1ccc(CN(C)C[C@H](O)CO)cc1 ZINC001204311514 1090947169 /nfs/dbraw/zinc/94/71/69/1090947169.db2.gz HFKZJVSBQKRRFI-SFHVURJKSA-N 0 3 323.477 3.211 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(C)c(C)c3)CC2)C1=O ZINC001272988488 1090967065 /nfs/dbraw/zinc/96/70/65/1090967065.db2.gz SLNOFJJIYQUNIP-UHFFFAOYSA-N 0 3 312.457 3.304 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(F)c1C)CC2 ZINC001273007128 1090984841 /nfs/dbraw/zinc/98/48/41/1090984841.db2.gz XXSNEAWRPJQFCO-INIZCTEOSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cccc(F)c1C)C2 ZINC001204512017 1090987720 /nfs/dbraw/zinc/98/77/20/1090987720.db2.gz YEHJNXKBILVPHL-PKOBYXMFSA-N 0 3 319.420 3.460 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3cc(C)c(C)o3)CC2)C1=O ZINC001273013929 1090994790 /nfs/dbraw/zinc/99/47/90/1090994790.db2.gz JXHVBMHTAHIRMA-UHFFFAOYSA-N 0 3 316.445 3.287 20 30 DGEDHN Cc1nn(C)cc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001204578098 1091002889 /nfs/dbraw/zinc/00/28/89/1091002889.db2.gz BJCVARSNOXDGSM-UHFFFAOYSA-N 0 3 308.429 3.055 20 30 DGEDHN C#CCN(Cc1c[nH]c(C(=O)OCc2ccccc2)c1)CC1CC1 ZINC001204640108 1091009868 /nfs/dbraw/zinc/00/98/68/1091009868.db2.gz AVTNSGIOALYGDQ-UHFFFAOYSA-N 0 3 322.408 3.217 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)Cc1ccccc1 ZINC001273103484 1091038340 /nfs/dbraw/zinc/03/83/40/1091038340.db2.gz DFQCMNCXFRCRNX-HNNXBMFYSA-N 0 3 322.880 3.492 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108104986 1091069608 /nfs/dbraw/zinc/06/96/08/1091069608.db2.gz QJMRRJFLQMODAH-LPHOPBHVSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1cccc(F)c1 ZINC001273136082 1091124296 /nfs/dbraw/zinc/12/42/96/1091124296.db2.gz VGIUKSHNFYHRPW-QZTJIDSGSA-N 0 3 316.420 3.010 20 30 DGEDHN CC(C)(C)Oc1cccc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001138278806 1091131061 /nfs/dbraw/zinc/13/10/61/1091131061.db2.gz DLONFYMRMKMTMF-AWEZNQCLSA-N 0 3 318.442 3.033 20 30 DGEDHN C#CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC001138346792 1091148012 /nfs/dbraw/zinc/14/80/12/1091148012.db2.gz OJTHQDRZEMQNQY-UHFFFAOYSA-N 0 3 311.381 3.045 20 30 DGEDHN C#CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC001138346792 1091148016 /nfs/dbraw/zinc/14/80/16/1091148016.db2.gz OJTHQDRZEMQNQY-UHFFFAOYSA-N 0 3 311.381 3.045 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108150628 1091155523 /nfs/dbraw/zinc/15/55/23/1091155523.db2.gz GYKAIMWADWZFNL-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001292812263 1091183671 /nfs/dbraw/zinc/18/36/71/1091183671.db2.gz ZWXBLZMILKPVBJ-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001138559094 1091227186 /nfs/dbraw/zinc/22/71/86/1091227186.db2.gz OXDCAUUOYLYKAD-NRFANRHFSA-N 0 3 321.420 3.490 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@@H](Oc3ccncc3)C2)cc1 ZINC001138560854 1091230650 /nfs/dbraw/zinc/23/06/50/1091230650.db2.gz RJQMPFUWFFADTI-HXUWFJFHSA-N 0 3 322.408 3.137 20 30 DGEDHN C=CCc1cccc(CN2CCc3nc(C)sc3C2)c1O ZINC001138627663 1091260424 /nfs/dbraw/zinc/26/04/24/1091260424.db2.gz DUTMVEUGOLMIKK-UHFFFAOYSA-N 0 3 300.427 3.444 20 30 DGEDHN C=CCCCC(=O)NC[C@@]1(C)CN(C[C@@H](C)CC(C)C)CCO1 ZINC001108169544 1091260589 /nfs/dbraw/zinc/26/05/89/1091260589.db2.gz QMJAOMOOKWFWTH-HKUYNNGSSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC(CC(=O)OC)CC1 ZINC001138661545 1091279693 /nfs/dbraw/zinc/27/96/93/1091279693.db2.gz BTDIVAGPHHIWDS-UHFFFAOYSA-N 0 3 317.429 3.417 20 30 DGEDHN C#C[C@@H](C)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001205744707 1091330497 /nfs/dbraw/zinc/33/04/97/1091330497.db2.gz LLBLHZCFXBDQJY-CQSZACIVSA-N 0 3 314.429 3.091 20 30 DGEDHN Cc1cnccc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001205873162 1091389076 /nfs/dbraw/zinc/38/90/76/1091389076.db2.gz OKFGIFCIABMHEK-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)OC)[C@@H]1C ZINC001139029687 1091425511 /nfs/dbraw/zinc/42/55/11/1091425511.db2.gz HBMNHOTUXLXHJE-HOCLYGCPSA-N 0 3 303.402 3.025 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC(CNCc2nccs2)CC1 ZINC001205981491 1091435350 /nfs/dbraw/zinc/43/53/50/1091435350.db2.gz SJERKIDRFKCARK-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1C(F)F ZINC001273222199 1091513964 /nfs/dbraw/zinc/51/39/64/1091513964.db2.gz SFKZSSKSRRLJCX-HZPDHXFCSA-N 0 3 320.383 3.376 20 30 DGEDHN O=C1C=C2CN(Cc3cc(Cl)cnc3Cl)CCC2S1 ZINC001139351943 1091528983 /nfs/dbraw/zinc/52/89/83/1091528983.db2.gz KGJBQFOVHXQDDL-LLVKDONJSA-N 0 3 315.225 3.163 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084690686 1091538157 /nfs/dbraw/zinc/53/81/57/1091538157.db2.gz LKYCJQHLVANOGK-BHIYHBOVSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084699961 1091543724 /nfs/dbraw/zinc/54/37/24/1091543724.db2.gz KWALOTJRGHAYSY-NLWGTHIKSA-N 0 3 324.468 3.045 20 30 DGEDHN CN(Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC1(C)COC1 ZINC001139425341 1091556646 /nfs/dbraw/zinc/55/66/46/1091556646.db2.gz KMEYNDAPTNAVQE-UHFFFAOYSA-N 0 3 323.396 3.214 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084847522 1091590157 /nfs/dbraw/zinc/59/01/57/1091590157.db2.gz YKZKIDZECYIRDQ-ZHALLVOQSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)c4c3CCC4)[C@@H]2C1 ZINC001084857353 1091593716 /nfs/dbraw/zinc/59/37/16/1091593716.db2.gz XYGDBOJCLRFVLT-OXQOHEQNSA-N 0 3 324.468 3.206 20 30 DGEDHN N#Cc1cccc2c(CN3CCC(c4ncccn4)CC3)c[nH]c21 ZINC001139702978 1091646368 /nfs/dbraw/zinc/64/63/68/1091646368.db2.gz FFHUKESQTGWHSN-UHFFFAOYSA-N 0 3 317.396 3.209 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C ZINC001206490004 1091646487 /nfs/dbraw/zinc/64/64/87/1091646487.db2.gz FCBWNHWGTSYNTG-RHSMWYFYSA-N 0 3 312.413 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccsc1 ZINC001085123678 1091681833 /nfs/dbraw/zinc/68/18/33/1091681833.db2.gz MQSBSJLXQBNMKJ-ZIAGYGMSSA-N 0 3 312.866 3.060 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC001139869752 1091695604 /nfs/dbraw/zinc/69/56/04/1091695604.db2.gz SAXKALPHMKYZOO-INIZCTEOSA-N 0 3 318.461 3.155 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CSC ZINC001098971406 1091698984 /nfs/dbraw/zinc/69/89/84/1091698984.db2.gz NWPXJRSFVXRPFQ-LSDHHAIUSA-N 0 3 312.523 3.168 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)cs1 ZINC001085192537 1091700668 /nfs/dbraw/zinc/70/06/68/1091700668.db2.gz OKJVKJXELQIFJZ-CHWSQXEVSA-N 0 3 312.866 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085204911 1091714949 /nfs/dbraw/zinc/71/49/49/1091714949.db2.gz QSDDYCHAMLNKDK-ZHCJQAHYSA-N 0 3 322.880 3.358 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nc(C)c1 ZINC001085211591 1091716086 /nfs/dbraw/zinc/71/60/86/1091716086.db2.gz JQVQOBAXCZCMRU-HZPDHXFCSA-N 0 3 321.852 3.082 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001085324618 1091747521 /nfs/dbraw/zinc/74/75/21/1091747521.db2.gz FROQDJVHJYTINM-KCYZZUKISA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1ccco1 ZINC001085329031 1091747977 /nfs/dbraw/zinc/74/79/77/1091747977.db2.gz GQJKKQSPAAVAKD-BFHYXJOUSA-N 0 3 310.825 3.153 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1ccco1 ZINC001085329032 1091747990 /nfs/dbraw/zinc/74/79/90/1091747990.db2.gz GQJKKQSPAAVAKD-MGPQQGTHSA-N 0 3 310.825 3.153 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001085339698 1091749620 /nfs/dbraw/zinc/74/96/20/1091749620.db2.gz AOIQZHFAPNCPGS-KBUPBQIOSA-N 0 3 322.836 3.153 20 30 DGEDHN CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)N1CCCCC1 ZINC000826783119 1091758193 /nfs/dbraw/zinc/75/81/93/1091758193.db2.gz ZHNDDRONKKAOLC-UHFFFAOYSA-N 0 3 319.836 3.092 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001206885042 1091783875 /nfs/dbraw/zinc/78/38/75/1091783875.db2.gz RDNBDRFDPPMQOY-IEBWSBKVSA-N 0 3 312.457 3.125 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001207054427 1091831298 /nfs/dbraw/zinc/83/12/98/1091831298.db2.gz AEFDFRXNDPFZEO-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001207094110 1091843901 /nfs/dbraw/zinc/84/39/01/1091843901.db2.gz UKELJIYYVLSNRA-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN Cc1ncccc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001207153890 1091865347 /nfs/dbraw/zinc/86/53/47/1091865347.db2.gz ISWTXQVKFLEHHM-LJQANCHMSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc(C2CC2)c1 ZINC001297372832 1091870694 /nfs/dbraw/zinc/87/06/94/1091870694.db2.gz HPGVAXFISGJVMH-UHFFFAOYSA-N 0 3 300.446 3.073 20 30 DGEDHN C=CC[C@@H](C(=O)N(CC)CCN(C)CC=C)c1ccccc1 ZINC001297372765 1091871367 /nfs/dbraw/zinc/87/13/67/1091871367.db2.gz DAMDESLAYXHXFS-GOSISDBHSA-N 0 3 300.446 3.313 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001085672039 1091879874 /nfs/dbraw/zinc/87/98/74/1091879874.db2.gz NOKRIYJBLYIENF-YESZJQIVSA-N 0 3 318.486 3.351 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706605 1091892943 /nfs/dbraw/zinc/89/29/43/1091892943.db2.gz SSJREMCLVXBVHF-CQSZACIVSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CCC ZINC001085713702 1091895919 /nfs/dbraw/zinc/89/59/19/1091895919.db2.gz QQCSQJCMNDEXAV-QGZVFWFLSA-N 0 3 300.446 3.362 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc43)CC2)cn1 ZINC001140540030 1091901760 /nfs/dbraw/zinc/90/17/60/1091901760.db2.gz HGYMKJYEZXGRPM-UHFFFAOYSA-N 0 3 303.409 3.433 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc2ccccc2cc1C ZINC001085730931 1091903560 /nfs/dbraw/zinc/90/35/60/1091903560.db2.gz MICLIEDACDNDGZ-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN COc1cccc([C@@H]2CCCN(Cc3ccc(C#N)nc3)C2)c1 ZINC001140546601 1091904152 /nfs/dbraw/zinc/90/41/52/1091904152.db2.gz NHXJWVDNAGMHDU-QGZVFWFLSA-N 0 3 307.397 3.341 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738498 1091905752 /nfs/dbraw/zinc/90/57/52/1091905752.db2.gz NROJSAQYODWBHM-MHORFTMASA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)nc1C ZINC001085818946 1091951308 /nfs/dbraw/zinc/95/13/08/1091951308.db2.gz MOXILRNBXFLOOF-INIZCTEOSA-N 0 3 315.461 3.236 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085818177 1091955136 /nfs/dbraw/zinc/95/51/36/1091955136.db2.gz SYJTVLKBXYSLIL-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001297761259 1091962705 /nfs/dbraw/zinc/96/27/05/1091962705.db2.gz QAXYYSPOHWINAY-INIZCTEOSA-N 0 3 323.440 3.486 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001085875961 1091994089 /nfs/dbraw/zinc/99/40/89/1091994089.db2.gz NHSGJYHMPGFPMJ-OAHLLOKOSA-N 0 3 308.372 3.347 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc(F)cc1C)CC2 ZINC001140777539 1091995196 /nfs/dbraw/zinc/99/51/96/1091995196.db2.gz COARKYZEHDJDHK-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1C ZINC001085879171 1091995528 /nfs/dbraw/zinc/99/55/28/1091995528.db2.gz YWMSCPVEFDGUIJ-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001085932326 1092024016 /nfs/dbraw/zinc/02/40/16/1092024016.db2.gz VWBFGZBZJQMYTA-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)nc2ccccc21 ZINC001085957542 1092046706 /nfs/dbraw/zinc/04/67/06/1092046706.db2.gz DMOOWEGODZRLKW-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989490 1092074982 /nfs/dbraw/zinc/07/49/82/1092074982.db2.gz SBUVPMSLMCZZCK-ZGUYJTEBSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC001085995945 1092082057 /nfs/dbraw/zinc/08/20/57/1092082057.db2.gz YVNWFBPXZFLQES-XJKSGUPXSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108235222 1092110288 /nfs/dbraw/zinc/11/02/88/1092110288.db2.gz UDZMYLWMDQAVGX-HKUYNNGSSA-N 0 3 324.509 3.375 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC001298887873 1092122194 /nfs/dbraw/zinc/12/21/94/1092122194.db2.gz NLGGWUKYZCNGSX-OXQOHEQNSA-N 0 3 318.420 3.061 20 30 DGEDHN C=CCCCCCCCCCN1CCN(CC(=O)OCC)CC1 ZINC001207896777 1092132274 /nfs/dbraw/zinc/13/22/74/1092132274.db2.gz VGQFHAKMWKKLRL-UHFFFAOYSA-N 0 3 324.509 3.474 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001086130665 1092137670 /nfs/dbraw/zinc/13/76/70/1092137670.db2.gz UWPVZQHXJNGSTI-WCVJEAGWSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001086241993 1092177551 /nfs/dbraw/zinc/17/75/51/1092177551.db2.gz YEZBNDAXWQSGQJ-QSJFSLAZSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001086266441 1092185086 /nfs/dbraw/zinc/18/50/86/1092185086.db2.gz DKFKSAWYPJLOAI-AOOOYVTPSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001491592331 1092185507 /nfs/dbraw/zinc/18/55/07/1092185507.db2.gz JWZOXHDBHRHPLZ-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001086281259 1092190093 /nfs/dbraw/zinc/19/00/93/1092190093.db2.gz HANIYRHPDDMLBX-OTVXOJSOSA-N 0 3 310.800 3.007 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001086281156 1092190143 /nfs/dbraw/zinc/19/01/43/1092190143.db2.gz BARJLZWVOHIPQV-SOUVJXGZSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2cnccc2C)CC1 ZINC001273417225 1092191135 /nfs/dbraw/zinc/19/11/35/1092191135.db2.gz FLGFETQYGUIWOW-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001491632482 1092192854 /nfs/dbraw/zinc/19/28/54/1092192854.db2.gz KUWGYQWDFVJGDO-ZIAGYGMSSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cc2ccccc2o1)C1CC1 ZINC001276554121 1092194283 /nfs/dbraw/zinc/19/42/83/1092194283.db2.gz WISGHZVOFVWDPU-QGZVFWFLSA-N 0 3 312.413 3.383 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cccnc2C)CCCC1 ZINC001491696750 1092201042 /nfs/dbraw/zinc/20/10/42/1092201042.db2.gz GMVRYLOMYHVJNP-OAHLLOKOSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2csc3cc(C)ccc23)C1 ZINC001491729079 1092215053 /nfs/dbraw/zinc/21/50/53/1092215053.db2.gz NJHYRJGOMSOBOP-AWEZNQCLSA-N 0 3 312.438 3.037 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(CC[C@@H](C)c2ccc(C)o2)C1 ZINC001208165738 1092233726 /nfs/dbraw/zinc/23/37/26/1092233726.db2.gz SZUFPNLGHKRMQY-GDBMZVCRSA-N 0 3 320.433 3.458 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(CC(C)C)s1 ZINC001273427908 1092233803 /nfs/dbraw/zinc/23/38/03/1092233803.db2.gz NBDIQFWUVUPWPW-UHFFFAOYSA-N 0 3 306.475 3.022 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2coc(C(F)F)c2)C1 ZINC001086458258 1092259045 /nfs/dbraw/zinc/25/90/45/1092259045.db2.gz IJHUZYXNOHJDDW-HOMQSWHASA-N 0 3 318.751 3.068 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC001491873357 1092266555 /nfs/dbraw/zinc/26/65/55/1092266555.db2.gz FFYPUDCSLLWLSS-CVEARBPZSA-N 0 3 319.449 3.165 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001141581034 1092282099 /nfs/dbraw/zinc/28/20/99/1092282099.db2.gz QUJPYKXTKNRYHF-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001208239611 1092286277 /nfs/dbraw/zinc/28/62/77/1092286277.db2.gz DPJPOSPKXFQUKB-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001273437200 1092294145 /nfs/dbraw/zinc/29/41/45/1092294145.db2.gz KFGYKJJDYWXDIN-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001086517567 1092308818 /nfs/dbraw/zinc/30/88/18/1092308818.db2.gz RKOSMBPCDVXMNJ-FPCVCCKLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC001086519740 1092313074 /nfs/dbraw/zinc/31/30/74/1092313074.db2.gz QURAVSLPEXJPPI-TUUVXOQKSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001491953541 1092320907 /nfs/dbraw/zinc/32/09/07/1092320907.db2.gz BRYYQKDOPZUXQW-RTBURBONSA-N 0 3 324.468 3.053 20 30 DGEDHN O=C1C=C2CN(Cc3coc4ccc(F)cc34)CCC2S1 ZINC001141848904 1092347302 /nfs/dbraw/zinc/34/73/02/1092347302.db2.gz LUZPLECETAIKJR-OAHLLOKOSA-N 0 3 303.358 3.346 20 30 DGEDHN O[C@@H]1CCCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972379 1092372641 /nfs/dbraw/zinc/37/26/41/1092372641.db2.gz IYMLAYRTYKYSET-QGZVFWFLSA-N 0 3 311.450 3.495 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001208490789 1092373204 /nfs/dbraw/zinc/37/32/04/1092373204.db2.gz GVFGWLDSMGEUJJ-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)OC(C)(C)C ZINC001168820553 1092378397 /nfs/dbraw/zinc/37/83/97/1092378397.db2.gz CBZZJHUXUIJCFI-NEPJUHHUSA-N 0 3 321.446 3.107 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001208562496 1092398267 /nfs/dbraw/zinc/39/82/67/1092398267.db2.gz DSNPKTOMVUEFQI-HDMKZQKVSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC001208597886 1092419385 /nfs/dbraw/zinc/41/93/85/1092419385.db2.gz TYPYSCMMAZYRGD-BHIYHBOVSA-N 0 3 314.473 3.124 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001108408754 1092423927 /nfs/dbraw/zinc/42/39/27/1092423927.db2.gz KQZMXKQMGXVWSR-VQIMIIECSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CCc1ccc(C(C)C)cc1 ZINC001492337374 1092476686 /nfs/dbraw/zinc/47/66/86/1092476686.db2.gz JRPSNPYBTHLSJM-UHFFFAOYSA-N 0 3 302.462 3.367 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1ccc(Cl)cc1C ZINC001492378342 1092489638 /nfs/dbraw/zinc/48/96/38/1092489638.db2.gz PDYRRKRCUBDDKT-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001492381539 1092491073 /nfs/dbraw/zinc/49/10/73/1092491073.db2.gz MSZIIFLUCHMPPN-QGZVFWFLSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001169024290 1092506110 /nfs/dbraw/zinc/50/61/10/1092506110.db2.gz FIAIBJFSSWKJPU-SFHVURJKSA-N 0 3 320.864 3.203 20 30 DGEDHN C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001316673633 1092527694 /nfs/dbraw/zinc/52/76/94/1092527694.db2.gz GKDTVVQEVZHCRK-WBVHZDCISA-N 0 3 316.445 3.189 20 30 DGEDHN Cc1nc([C@H]2CCCN(CCCc3cccc(C#N)c3)C2)no1 ZINC001208845950 1092542683 /nfs/dbraw/zinc/54/26/83/1092542683.db2.gz VMTMDCSSVVPULS-KRWDZBQOSA-N 0 3 310.401 3.062 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001208918002 1092584389 /nfs/dbraw/zinc/58/43/89/1092584389.db2.gz BUBBKECNHQCZMG-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN Cc1nc(C2CCN(Cc3c[nH]c4cc(C#N)ccc34)CC2)no1 ZINC001142921724 1092586705 /nfs/dbraw/zinc/58/67/05/1092586705.db2.gz UZFKYUKXGCEXDV-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001208928473 1092590080 /nfs/dbraw/zinc/59/00/80/1092590080.db2.gz CRTRFOQUJKMTNK-SFHVURJKSA-N 0 3 319.452 3.307 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(Cl)cc2)C(C)(C)C1 ZINC001276600518 1092615214 /nfs/dbraw/zinc/61/52/14/1092615214.db2.gz FERAZWJOHAKCRC-INIZCTEOSA-N 0 3 320.864 3.285 20 30 DGEDHN CC(C)C(=O)N[C@H](C)CCCCNCc1cc(F)ccc1C#N ZINC001169257280 1092620457 /nfs/dbraw/zinc/62/04/57/1092620457.db2.gz BHJXIISXMZRLIX-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN CCC1(C(=O)N2CCC[C@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001209099801 1092651399 /nfs/dbraw/zinc/65/13/99/1092651399.db2.gz ALWFCBRBUVAHFK-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001209146051 1092671454 /nfs/dbraw/zinc/67/14/54/1092671454.db2.gz KEYHRAAKYCYGBP-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001209182623 1092684330 /nfs/dbraw/zinc/68/43/30/1092684330.db2.gz FTKXAWTYMHCRJX-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](CC)c1ccccc1 ZINC001156319563 1092685520 /nfs/dbraw/zinc/68/55/20/1092685520.db2.gz WZZAXDIJNRJYSA-IAGOWNOFSA-N 0 3 300.446 3.030 20 30 DGEDHN C=CCCCCN1CCN(c2ccccc2OCCOC)CC1 ZINC001209207560 1092694905 /nfs/dbraw/zinc/69/49/05/1092694905.db2.gz ARSMXDPUKNTUBH-UHFFFAOYSA-N 0 3 318.461 3.190 20 30 DGEDHN C=CCOC[C@H]1CCC[C@@]12CN(CCc1cccs1)CCO2 ZINC001209225362 1092704758 /nfs/dbraw/zinc/70/47/58/1092704758.db2.gz PKDDEGKLMJTKSO-SJLPKXTDSA-N 0 3 321.486 3.364 20 30 DGEDHN C#CCCCN1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001209270002 1092720906 /nfs/dbraw/zinc/72/09/06/1092720906.db2.gz SUEGVSHYDQHAGN-UHFFFAOYSA-N 0 3 301.361 3.039 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001209336339 1092738170 /nfs/dbraw/zinc/73/81/70/1092738170.db2.gz WDPAFAZVFSCAIT-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001150364716 1092773416 /nfs/dbraw/zinc/77/34/16/1092773416.db2.gz UAVPXADZKVICRE-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001209663672 1092868539 /nfs/dbraw/zinc/86/85/39/1092868539.db2.gz BYIHGZYPSNEKOM-RCCFBDPRSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCC(C)(C)C)CC1 ZINC001151362373 1092888967 /nfs/dbraw/zinc/88/89/67/1092888967.db2.gz DEOKXHSQRTXEQZ-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001210250783 1093095775 /nfs/dbraw/zinc/09/57/75/1093095775.db2.gz DCVJSKLNHXPLJK-BRWVUGGUSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001210796681 1093284390 /nfs/dbraw/zinc/28/43/90/1093284390.db2.gz ZFSLPXCDRLOLQS-JFIYKMOQSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1C)c1ccccc1 ZINC001211227883 1093427948 /nfs/dbraw/zinc/42/79/48/1093427948.db2.gz BATZNJXKAPWXFC-ZIFCJYIRSA-N 0 3 312.457 3.359 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001211399482 1093481741 /nfs/dbraw/zinc/48/17/41/1093481741.db2.gz QJTLAMUSKKFMQO-YQVWRLOYSA-N 0 3 314.473 3.186 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCCc2ccc(C)cc2)C1 ZINC001211429513 1093491061 /nfs/dbraw/zinc/49/10/61/1093491061.db2.gz OVBNDJSHMREMPK-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213314638 1093564544 /nfs/dbraw/zinc/56/45/44/1093564544.db2.gz FSXMLXRERQQRDJ-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)CCCCCC)[C@H](OC)C1 ZINC001213602299 1093622551 /nfs/dbraw/zinc/62/25/51/1093622551.db2.gz FFAXLDULHBBKMN-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@H](OC)C1 ZINC001213725748 1093649891 /nfs/dbraw/zinc/64/98/91/1093649891.db2.gz GIBITKSGEAUGEP-GVDBMIGSSA-N 0 3 324.509 3.230 20 30 DGEDHN C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1NCC#Cc1ccccc1 ZINC001214356591 1093758836 /nfs/dbraw/zinc/75/88/36/1093758836.db2.gz WCKDQJQEJCOFMA-JXGFJBPRSA-N 0 3 324.468 3.077 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215301219 1093953807 /nfs/dbraw/zinc/95/38/07/1093953807.db2.gz MKUJBEHRQOOPIM-IEBWSBKVSA-N 0 3 324.468 3.077 20 30 DGEDHN N#Cc1cncc(Nc2cccc(CN3CCCCC3)c2F)n1 ZINC001215675299 1094029900 /nfs/dbraw/zinc/02/99/00/1094029900.db2.gz FSVBPNSLHLWGFM-UHFFFAOYSA-N 0 3 311.364 3.217 20 30 DGEDHN Cn1cnc(C#N)c1Nc1cccc(CN2CCCCC2)c1F ZINC001215675714 1094030514 /nfs/dbraw/zinc/03/05/14/1094030514.db2.gz PAAMAFOKRVBFPH-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CC(C)(C)C)[C@H]2C1 ZINC001217290354 1094361433 /nfs/dbraw/zinc/36/14/33/1094361433.db2.gz DNZKRGMCFDDGFQ-DLBZAZTESA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C(CC)CC)[C@H]2C1 ZINC001217316020 1094371321 /nfs/dbraw/zinc/37/13/21/1094371321.db2.gz HTCULTMSPIPSFO-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@@H](C(=O)NCCNCc1cccc(C#N)c1)[C@H](C)C(C)(C)C ZINC001135177785 1094429267 /nfs/dbraw/zinc/42/92/67/1094429267.db2.gz LPECYUUFJUWEBH-CABCVRRESA-N 0 3 315.461 3.082 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nccs1 ZINC001135187765 1094436275 /nfs/dbraw/zinc/43/62/75/1094436275.db2.gz ARWYRWDIIIDPAY-HUUCEWRRSA-N 0 3 321.490 3.100 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC001135187763 1094436343 /nfs/dbraw/zinc/43/63/43/1094436343.db2.gz ARWYRWDIIIDPAY-CABCVRRESA-N 0 3 321.490 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001135229439 1094459270 /nfs/dbraw/zinc/45/92/70/1094459270.db2.gz AKPUEHORZWFMRY-NWDGAFQWSA-N 0 3 323.506 3.345 20 30 DGEDHN CC1(C)N[C@H](CO[C@@H](C#C[Si](C)(C)C)c2ccccc2)CO1 ZINC001217834938 1094502669 /nfs/dbraw/zinc/50/26/69/1094502669.db2.gz UZUARELDKKUEEJ-SJORKVTESA-N 0 3 317.505 3.350 20 30 DGEDHN [O-]/N=C(/c1ccccc1)[C@H](OC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC001217838931 1094503820 /nfs/dbraw/zinc/50/38/20/1094503820.db2.gz GHXPUWSAOWGINB-YVYXNRRGSA-N 0 3 310.397 3.375 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2conc2C)CC1 ZINC001135382293 1094510439 /nfs/dbraw/zinc/51/04/39/1094510439.db2.gz FSLDSUSNHNUYNZ-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@H](C)NCc2cc(C)no2)CC1 ZINC001135381834 1094510899 /nfs/dbraw/zinc/51/08/99/1094510899.db2.gz BDVZLALIRCXFNJ-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@H](C)NCc2ocnc2C)CC1 ZINC001135416983 1094528012 /nfs/dbraw/zinc/52/80/12/1094528012.db2.gz YPIBVLGUIOVKSD-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001086733596 1094538328 /nfs/dbraw/zinc/53/83/28/1094538328.db2.gz TYRUYZZKRPYLCC-KRIMKBQASA-N 0 3 310.869 3.194 20 30 DGEDHN N#Cc1cccc(-c2ccc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)cc2)c1 ZINC001218127768 1094623653 /nfs/dbraw/zinc/62/36/53/1094623653.db2.gz CMNQDAVIJLUTGN-XUVXKRRUSA-N 0 3 320.392 3.123 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121713690 1094752875 /nfs/dbraw/zinc/75/28/75/1094752875.db2.gz MEQWULVDYMJADS-XRFBTWBJSA-N 0 3 310.869 3.358 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121713687 1094752886 /nfs/dbraw/zinc/75/28/86/1094752886.db2.gz MEQWULVDYMJADS-DZTUWMGKSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(=S)[n-]c2sccc21 ZINC001218456452 1094787291 /nfs/dbraw/zinc/78/72/91/1094787291.db2.gz PSKPOUXSLYFNNU-GHMZBOCLSA-N 0 3 307.444 3.056 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC1CCN(CC(=C)C)CC1 ZINC001121867787 1094799966 /nfs/dbraw/zinc/79/99/66/1094799966.db2.gz MSHUMMNPVDFLHP-QGZVFWFLSA-N 0 3 305.466 3.167 20 30 DGEDHN N#Cc1cc(NC(=O)C[C@H](N)c2ccccc2)ccc1C1CC1 ZINC001337078350 1094843893 /nfs/dbraw/zinc/84/38/93/1094843893.db2.gz XFWKESRLRBENBQ-SFHVURJKSA-N 0 3 305.381 3.464 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001121971398 1094852282 /nfs/dbraw/zinc/85/22/82/1094852282.db2.gz PPAIDLIAPIKTRO-SNVBAGLBSA-N 0 3 308.332 3.123 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)CCCCC)[C@H]2C1 ZINC001218738154 1094858063 /nfs/dbraw/zinc/85/80/63/1094858063.db2.gz WJOBFKRNWPSKFZ-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC001121989987 1094859931 /nfs/dbraw/zinc/85/99/31/1094859931.db2.gz XKCMRUQNQCZVGF-INIZCTEOSA-N 0 3 312.417 3.316 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccn2c(C)c(C)nc12 ZINC001218773054 1094867487 /nfs/dbraw/zinc/86/74/87/1094867487.db2.gz RCIMTRQQQSQSFU-HNNXBMFYSA-N 0 3 314.433 3.353 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc[nH]c2CC)C[C@H]1C ZINC001104147054 1094888652 /nfs/dbraw/zinc/88/86/52/1094888652.db2.gz FXMGQEVGLFEMIV-TZMCWYRMSA-N 0 3 323.868 3.017 20 30 DGEDHN CN[C@H](C(=O)Nc1ccc([C@H](C)C#N)cc1)[C@@H](C)OC(C)(C)C ZINC001218870695 1094893895 /nfs/dbraw/zinc/89/38/95/1094893895.db2.gz ASWZGVGGXXGRFB-IOASZLSFSA-N 0 3 317.433 3.044 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC001122254284 1094936815 /nfs/dbraw/zinc/93/68/15/1094936815.db2.gz NUKQECRJVFTAHV-HNNXBMFYSA-N 0 3 310.800 3.177 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@@H](C)C1CC1)C2 ZINC001122262027 1094938354 /nfs/dbraw/zinc/93/83/54/1094938354.db2.gz PRCZFCWTZLBCCW-YMWDHONGSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2sc(N)nc2c1 ZINC001219245495 1094953348 /nfs/dbraw/zinc/95/33/48/1094953348.db2.gz OSMPIACTNCCJNI-LBPRGKRZSA-N 0 3 318.446 3.281 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC001122384544 1094963653 /nfs/dbraw/zinc/96/36/53/1094963653.db2.gz OAXITNKFWSMFFL-XYJFISCASA-N 0 3 322.493 3.140 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC001122384543 1094964610 /nfs/dbraw/zinc/96/46/10/1094964610.db2.gz OAXITNKFWSMFFL-LZLYRXPVSA-N 0 3 322.493 3.140 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001111795000 1094968684 /nfs/dbraw/zinc/96/86/84/1094968684.db2.gz UOFHEUBWIDFTMU-IEZWGBDMSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC2CCCCCC2)C1 ZINC001111810921 1094973597 /nfs/dbraw/zinc/97/35/97/1094973597.db2.gz XIKAXTCJQHGYSW-ICSRJNTNSA-N 0 3 316.489 3.341 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2F)cc1 ZINC001122459529 1094979902 /nfs/dbraw/zinc/97/99/02/1094979902.db2.gz PZMSZSKCRXZQHG-CJYSPXJISA-N 0 3 302.349 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](CCOC)c2ccccc21 ZINC001122601385 1095016928 /nfs/dbraw/zinc/01/69/28/1095016928.db2.gz CGVGMCUFTAIUKP-ZFWWWQNUSA-N 0 3 322.836 3.013 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001111956610 1095018500 /nfs/dbraw/zinc/01/85/00/1095018500.db2.gz QWJJQKIUXSJSCG-GJYPPUQNSA-N 0 3 304.478 3.053 20 30 DGEDHN N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1cccc(F)n1 ZINC001122632261 1095022140 /nfs/dbraw/zinc/02/21/40/1095022140.db2.gz TVIDMRRVKXBTQC-AWEZNQCLSA-N 0 3 318.311 3.168 20 30 DGEDHN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1cccc(F)n1 ZINC001122632261 1095022153 /nfs/dbraw/zinc/02/21/53/1095022153.db2.gz TVIDMRRVKXBTQC-AWEZNQCLSA-N 0 3 318.311 3.168 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC2CCCC2)C1 ZINC001112013744 1095024671 /nfs/dbraw/zinc/02/46/71/1095024671.db2.gz DNXWENHMJRQDMQ-ICSRJNTNSA-N 0 3 316.489 3.341 20 30 DGEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1cccc(F)n1 ZINC001122713890 1095042928 /nfs/dbraw/zinc/04/29/28/1095042928.db2.gz FRZKTRSBQSSKRJ-NSHDSACASA-N 0 3 309.300 3.171 20 30 DGEDHN Cc1ccc(CN2CCCN(c3nccc(C)c3C#N)CC2)cc1 ZINC001337635807 1095045480 /nfs/dbraw/zinc/04/54/80/1095045480.db2.gz HOIUKHIRMCPIMM-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(O)c4ccccc34)CCC2S1 ZINC001138056738 1095095123 /nfs/dbraw/zinc/09/51/23/1095095123.db2.gz XYOXGUBVQQPUHO-QGZVFWFLSA-N 0 3 311.406 3.320 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001170997902 1095110453 /nfs/dbraw/zinc/11/04/53/1095110453.db2.gz LWOJDERIDUWQRN-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)c1ccc(Cl)cc1 ZINC001115278773 1095161564 /nfs/dbraw/zinc/16/15/64/1095161564.db2.gz YALXHQZNUOHEIP-NCOADZHNSA-N 0 3 318.848 3.066 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001171042933 1095181013 /nfs/dbraw/zinc/18/10/13/1095181013.db2.gz HYVBDBZXTJZIMA-AWEZNQCLSA-N 0 3 307.438 3.104 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1ccn(CC)n1 ZINC001171042724 1095181200 /nfs/dbraw/zinc/18/12/00/1095181200.db2.gz FOIWQLXPNITVHI-MRXNPFEDSA-N 0 3 320.481 3.024 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3occc3C)[C@@H]2C1 ZINC001221268394 1095227364 /nfs/dbraw/zinc/22/73/64/1095227364.db2.gz SKRQAGJVOOLGLS-IAGOWNOFSA-N 0 3 316.445 3.481 20 30 DGEDHN C=CC[C@@H](NC(=O)c1csc2c1CCNC2)c1ccccc1 ZINC001221361523 1095251072 /nfs/dbraw/zinc/25/10/72/1095251072.db2.gz VVPFGOKLBGWRHG-MRXNPFEDSA-N 0 3 312.438 3.441 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3cscn3)[C@@H]2C1 ZINC001221427905 1095261783 /nfs/dbraw/zinc/26/17/83/1095261783.db2.gz PSUVORRSXLUYTK-GDBMZVCRSA-N 0 3 321.490 3.260 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)[C@@H](CC)SC)[C@@H]2C1 ZINC001221480565 1095279573 /nfs/dbraw/zinc/27/95/73/1095279573.db2.gz OSMGRCZWEQQSRC-BRWVUGGUSA-N 0 3 324.534 3.407 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2[nH]c(C)cc2C)CCCCC1 ZINC001115598610 1095291917 /nfs/dbraw/zinc/29/19/17/1095291917.db2.gz VPSXPTYGJHBAGV-UHFFFAOYSA-N 0 3 323.868 3.406 20 30 DGEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001221524528 1095293808 /nfs/dbraw/zinc/29/38/08/1095293808.db2.gz RAWWFXILRLXOLG-HUUCEWRRSA-N 0 3 304.459 3.169 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(F)CCCC2)CCCCC1 ZINC001115608503 1095300071 /nfs/dbraw/zinc/30/00/71/1095300071.db2.gz PTRJFFOZAPETGJ-UHFFFAOYSA-N 0 3 316.848 3.430 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC(C)(C)CC(F)F)[C@@H]2C1 ZINC001221701664 1095329466 /nfs/dbraw/zinc/32/94/66/1095329466.db2.gz ZFRHWSISTYUGAF-ZIAGYGMSSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@@H](F)C2)CCCCC1 ZINC001115694102 1095336466 /nfs/dbraw/zinc/33/64/66/1095336466.db2.gz NZOTXCJCXXQBDK-ZIAGYGMSSA-N 0 3 316.848 3.286 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221782779 1095353653 /nfs/dbraw/zinc/35/36/53/1095353653.db2.gz MVKUROXSFAVDRF-NVXWUHKLSA-N 0 3 318.486 3.180 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](CCC)CC(C)C)[C@@H]2C1 ZINC001222062756 1095419379 /nfs/dbraw/zinc/41/93/79/1095419379.db2.gz LDENOSPIENJLIM-RCCFBDPRSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCC[C@@H](NCCF)C1)c1ccccc1 ZINC001222156295 1095463277 /nfs/dbraw/zinc/46/32/77/1095463277.db2.gz DCJNGFJTRVIZPM-MSOLQXFVSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3occc3c2)C1 ZINC001091041558 1095590999 /nfs/dbraw/zinc/59/09/99/1095590999.db2.gz RNDOYIKNIQYJCQ-UHFFFAOYSA-N 0 3 318.804 3.283 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2sc(N3CCCCC3)nc2C)C1 ZINC001116554683 1095598057 /nfs/dbraw/zinc/59/80/57/1095598057.db2.gz AZPMUYANECTYMD-OAHLLOKOSA-N 0 3 321.490 3.219 20 30 DGEDHN C=C[C@@H](COC)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC001116879519 1095689550 /nfs/dbraw/zinc/68/95/50/1095689550.db2.gz DGAAODCRBMYYHY-LBPRGKRZSA-N 0 3 302.340 3.062 20 30 DGEDHN C=CCCC(=O)NCC1CCN(Cc2cc(C)ccc2F)CC1 ZINC001222609926 1095691267 /nfs/dbraw/zinc/69/12/67/1095691267.db2.gz UHLGSGGWBGJMJO-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN Cc1cc(C#N)cc(C)c1-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001222648901 1095708297 /nfs/dbraw/zinc/70/82/97/1095708297.db2.gz QDWMHWRWTSSJTE-QGZVFWFLSA-N 0 3 318.424 3.441 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccnc(OC2CCC2)n1 ZINC001171198799 1095712171 /nfs/dbraw/zinc/71/21/71/1095712171.db2.gz QOXUCVOIHGFAQN-AWEZNQCLSA-N 0 3 322.412 3.000 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](Oc3cccc(OC)n3)C2)cc1 ZINC001144580763 1095716925 /nfs/dbraw/zinc/71/69/25/1095716925.db2.gz IGUCECWIBDYRQW-SFHVURJKSA-N 0 3 322.408 3.115 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)ccc(Cl)c3F)CCC2S1 ZINC001137878071 1095777943 /nfs/dbraw/zinc/77/79/43/1095777943.db2.gz IVPAIVFPQBZKKP-LBPRGKRZSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC001339918994 1095778965 /nfs/dbraw/zinc/77/89/65/1095778965.db2.gz DPSQTJMHGPBRDK-ZDUSSCGKSA-N 0 3 316.323 3.232 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001276851464 1095794172 /nfs/dbraw/zinc/79/41/72/1095794172.db2.gz CBGNTSWYTPBSCS-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC001339985980 1095801135 /nfs/dbraw/zinc/80/11/35/1095801135.db2.gz NOOAAUVEOHYOSQ-CQSZACIVSA-N 0 3 304.438 3.090 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC001340050216 1095836611 /nfs/dbraw/zinc/83/66/11/1095836611.db2.gz QAPSFBKDBXREPY-LEOMRAHMSA-N 0 3 322.493 3.256 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(c2cccc(O)c2)CC1 ZINC001171230401 1095866655 /nfs/dbraw/zinc/86/66/55/1095866655.db2.gz VBYCFYJOLCCKIK-MRXNPFEDSA-N 0 3 321.424 3.017 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001276875267 1095908718 /nfs/dbraw/zinc/90/87/18/1095908718.db2.gz KPSMJONNUMTDQZ-ZDUSSCGKSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001091384707 1095927520 /nfs/dbraw/zinc/92/75/20/1095927520.db2.gz QYMWROAFKYXOOE-YMAMQOFZSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cccc(C)c1Cl ZINC001276883088 1095945713 /nfs/dbraw/zinc/94/57/13/1095945713.db2.gz CZNKSOCPZPORKJ-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001276893253 1095980616 /nfs/dbraw/zinc/98/06/16/1095980616.db2.gz XTTBMWXGBDTPGM-NVXWUHKLSA-N 0 3 315.461 3.166 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001223515798 1095990736 /nfs/dbraw/zinc/99/07/36/1095990736.db2.gz CIOIAOYETBCOAF-FPLPWBNLSA-N 0 3 324.468 3.027 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC001340665365 1096002505 /nfs/dbraw/zinc/00/25/05/1096002505.db2.gz MCLXGOVXJGDGAC-ZDUSSCGKSA-N 0 3 312.360 3.261 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC001340843164 1096048977 /nfs/dbraw/zinc/04/89/77/1096048977.db2.gz KCWMTWCARHUFNY-KRWDZBQOSA-N 0 3 302.418 3.203 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC001340986975 1096086884 /nfs/dbraw/zinc/08/68/84/1096086884.db2.gz OBAWLNAIPHTCIE-XIRDDKMYSA-N 0 3 304.409 3.262 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001276940041 1096117923 /nfs/dbraw/zinc/11/79/23/1096117923.db2.gz JNZDSFQBBQNYPQ-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001276941257 1096121983 /nfs/dbraw/zinc/12/19/83/1096121983.db2.gz ODSLBGCDEXREMJ-XLIONFOSSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001224051152 1096123380 /nfs/dbraw/zinc/12/33/80/1096123380.db2.gz MBSQQWQNNXKISD-UHFFFAOYSA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001224624731 1096248254 /nfs/dbraw/zinc/24/82/54/1096248254.db2.gz DZVYJZHDMMHLER-QGZVFWFLSA-N 0 3 304.478 3.220 20 30 DGEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@H](O)CC#N ZINC001119736399 1096253545 /nfs/dbraw/zinc/25/35/45/1096253545.db2.gz YWHRMKAPTORCSK-IUODEOHRSA-N 0 3 315.442 3.352 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001224739765 1096277084 /nfs/dbraw/zinc/27/70/84/1096277084.db2.gz PXKQYSTZGNVHIJ-KRWDZBQOSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCCCCC(C)C)CC1 ZINC001224752726 1096278902 /nfs/dbraw/zinc/27/89/02/1096278902.db2.gz CUKZMWNSZDLMAR-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](C)CCCCCC)CC1 ZINC001224920684 1096314635 /nfs/dbraw/zinc/31/46/35/1096314635.db2.gz FRARSBCYEXVQHP-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCCc3ccc(C)cc3)C2)C1 ZINC001148220766 1096329823 /nfs/dbraw/zinc/32/98/23/1096329823.db2.gz GWIFUKLACCPCNZ-UHFFFAOYSA-N 0 3 312.457 3.038 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001277020265 1096350021 /nfs/dbraw/zinc/35/00/21/1096350021.db2.gz YAKRURUNLLELHL-JHJNDJDLSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001148620191 1096413955 /nfs/dbraw/zinc/41/39/55/1096413955.db2.gz JNJWLZDBEJUEPZ-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ncccc1C#N ZINC001225406486 1096420413 /nfs/dbraw/zinc/42/04/13/1096420413.db2.gz ZOCDCSKRZBCKBC-QAPCUYQASA-N 0 3 307.397 3.243 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001277046053 1096439089 /nfs/dbraw/zinc/43/90/89/1096439089.db2.gz DOXSSWOMMKELLR-MQMHXKEQSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N1CC2(C1)CCN(CC=C)C2 ZINC001148812926 1096451924 /nfs/dbraw/zinc/45/19/24/1096451924.db2.gz ZEYJFLZOPATJJI-IBGZPJMESA-N 0 3 324.468 3.142 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001225603853 1096480401 /nfs/dbraw/zinc/48/04/01/1096480401.db2.gz NCVOSHXYHJPSGU-SFHVURJKSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001225610780 1096481875 /nfs/dbraw/zinc/48/18/75/1096481875.db2.gz CJFIQSMDKJYMEX-SFHVURJKSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001086867427 1096488707 /nfs/dbraw/zinc/48/87/07/1096488707.db2.gz KPTPLYAZUISCHG-DOTOQJQBSA-N 0 3 320.864 3.490 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CC3CCCC3)C2)CC1 ZINC001086899937 1096499483 /nfs/dbraw/zinc/49/94/83/1096499483.db2.gz XHCVAVBZWRTVDK-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C3CC(C)(C)C3)C2)CC1 ZINC001086921109 1096509026 /nfs/dbraw/zinc/50/90/26/1096509026.db2.gz HZQDGWYJJQXKLT-MRXNPFEDSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC3(C)C)C2)CC1 ZINC001086938049 1096514471 /nfs/dbraw/zinc/51/44/71/1096514471.db2.gz GRGBWAZPUZKHIJ-SJORKVTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3CC(C)(C)C3)C2)CC1 ZINC001086939064 1096514883 /nfs/dbraw/zinc/51/48/83/1096514883.db2.gz HNZYQQAFDRIGJD-MRXNPFEDSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3csc(C)c3)C2)CC1 ZINC001086947993 1096518515 /nfs/dbraw/zinc/51/85/15/1096518515.db2.gz NKFQTOZFENADRL-AWEZNQCLSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(C)cc3C)C2)CC1 ZINC001086955546 1096523006 /nfs/dbraw/zinc/52/30/06/1096523006.db2.gz QJJRGSLVVUYLAY-SFHVURJKSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C3CCCCCCC3)C[C@]2(C)C1 ZINC001091842539 1096542784 /nfs/dbraw/zinc/54/27/84/1096542784.db2.gz HVTCSDNWLMSQRH-QUCCMNQESA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CC3CCCC3)C[C@]2(C)C1 ZINC001092067050 1096571652 /nfs/dbraw/zinc/57/16/52/1096571652.db2.gz FRTNDAVZSFWBAB-NSHGMRRFSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C(C)C)cc3)C[C@]2(C)C1 ZINC001092224555 1096587879 /nfs/dbraw/zinc/58/78/79/1096587879.db2.gz IUDUWHPQJPFNID-CTNGQTDRSA-N 0 3 324.468 3.227 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001277092893 1096591993 /nfs/dbraw/zinc/59/19/93/1096591993.db2.gz QLXILXQYPASBQH-DMRZNYOFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCCNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC001247696840 1096676374 /nfs/dbraw/zinc/67/63/74/1096676374.db2.gz IEIAKQUXYATAJU-UHFFFAOYSA-N 0 3 309.523 3.025 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)CC)CC1 ZINC001093376870 1096686356 /nfs/dbraw/zinc/68/63/56/1096686356.db2.gz OTSNGQIILNSUDQ-KRWDZBQOSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001093379677 1096687799 /nfs/dbraw/zinc/68/77/99/1096687799.db2.gz FYZLDRACALYXBO-FUHWJXTLSA-N 0 3 316.489 3.005 20 30 DGEDHN C=CCCCCCN1CC2(C[C@@H]2C(=O)Nc2onc(C)c2C)C1 ZINC001277149809 1096757677 /nfs/dbraw/zinc/75/76/77/1096757677.db2.gz FINPRUUXHYWFRV-OAHLLOKOSA-N 0 3 317.433 3.298 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001226796644 1096781192 /nfs/dbraw/zinc/78/11/92/1096781192.db2.gz GXFQALFPEGRTNC-WMZOPIPTSA-N 0 3 319.493 3.152 20 30 DGEDHN N=C(N[C@H]1CCc2cc(F)c(F)cc2C1)c1ccc(Cl)cn1 ZINC001171461119 1096890968 /nfs/dbraw/zinc/89/09/68/1096890968.db2.gz WFSQFOIRMWYNNT-LBPRGKRZSA-N 0 3 321.758 3.276 20 30 DGEDHN Cc1cccc(CN2CCC(NC(=O)C#CC(C)(C)C)CC2)c1 ZINC001227272233 1096910050 /nfs/dbraw/zinc/91/00/50/1096910050.db2.gz DWJYCUHOJPEPTR-UHFFFAOYSA-N 0 3 312.457 3.125 20 30 DGEDHN CCCCCCCCCN1CCc2nc(C(N)=O)ccc2C1 ZINC001277233231 1096972759 /nfs/dbraw/zinc/97/27/59/1096972759.db2.gz KYTRTYKQFBDEDA-UHFFFAOYSA-N 0 3 303.450 3.289 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1cc(C)ncn1 ZINC001171818939 1096974336 /nfs/dbraw/zinc/97/43/36/1096974336.db2.gz XWRYBRJCAJEFBN-UHFFFAOYSA-N 0 3 320.481 3.132 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001227916396 1097011813 /nfs/dbraw/zinc/01/18/13/1097011813.db2.gz DKELFOLYYZVMSY-IAGOWNOFSA-N 0 3 315.461 3.201 20 30 DGEDHN Cc1cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c(C)cc1C#N ZINC001228147006 1097062775 /nfs/dbraw/zinc/06/27/75/1097062775.db2.gz IOUQHOLCGNBVSL-HDICACEKSA-N 0 3 314.429 3.197 20 30 DGEDHN C#CCCCC(=O)N1CCC([C@@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001277276245 1097063714 /nfs/dbraw/zinc/06/37/14/1097063714.db2.gz XDBOJPHOFWJNIP-QGZVFWFLSA-N 0 3 322.880 3.103 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H]1CCc2ccccc2C1=O ZINC001172305438 1097095970 /nfs/dbraw/zinc/09/59/70/1097095970.db2.gz SGKNNWJHKJVIPW-IFXJQAMLSA-N 0 3 304.393 3.277 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(CC2CCC2)cn1 ZINC001172299229 1097110003 /nfs/dbraw/zinc/11/00/03/1097110003.db2.gz IKUMHOMQJKFKLM-OAHLLOKOSA-N 0 3 308.429 3.276 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(C)ccc1F ZINC001277305315 1097131267 /nfs/dbraw/zinc/13/12/67/1097131267.db2.gz IUANCWYURJURLC-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001277315312 1097147425 /nfs/dbraw/zinc/14/74/25/1097147425.db2.gz UOHNVNQCPSLITK-JSGCOSHPSA-N 0 3 312.841 3.319 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228595810 1097149416 /nfs/dbraw/zinc/14/94/16/1097149416.db2.gz AJBOHLKCTSUHLH-UHFFFAOYSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@@H](CCCC#N)N1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001172506843 1097174129 /nfs/dbraw/zinc/17/41/29/1097174129.db2.gz KJLWLJJOGCMIKJ-WDEREUQCSA-N 0 3 316.327 3.350 20 30 DGEDHN C[C@@H](CCCC#N)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001172507404 1097174219 /nfs/dbraw/zinc/17/42/19/1097174219.db2.gz SZGGAZWMNUYFKC-AWEZNQCLSA-N 0 3 309.454 3.400 20 30 DGEDHN CC#CCCCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001228716910 1097175547 /nfs/dbraw/zinc/17/55/47/1097175547.db2.gz AJXXIDZBWAXMNH-FMIVXFBMSA-N 0 3 324.468 3.474 20 30 DGEDHN CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001172545566 1097187584 /nfs/dbraw/zinc/18/75/84/1097187584.db2.gz KERKPFCVXVEVSD-ZACQAIPSSA-N 0 3 304.434 3.223 20 30 DGEDHN CC#CCCCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001228779911 1097188700 /nfs/dbraw/zinc/18/87/00/1097188700.db2.gz VGZPBMPPTUMPOL-UHFFFAOYSA-N 0 3 318.486 3.331 20 30 DGEDHN COCCN1CCC(Oc2ccc3ccc(C#N)cc3c2)CC1 ZINC001228967969 1097228651 /nfs/dbraw/zinc/22/86/51/1097228651.db2.gz FTRCSDPHPVHBDS-UHFFFAOYSA-N 0 3 310.397 3.201 20 30 DGEDHN N#Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001229186790 1097273570 /nfs/dbraw/zinc/27/35/70/1097273570.db2.gz LXUHGRNHRYBWTQ-MRXNPFEDSA-N 0 3 323.352 3.120 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001229329469 1097297506 /nfs/dbraw/zinc/29/75/06/1097297506.db2.gz BQLSIEVRYRNZFC-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN COc1cccc2c1C[C@H](NC1(c3ccc(C#N)cc3)CC1)CO2 ZINC001173156770 1097352496 /nfs/dbraw/zinc/35/24/96/1097352496.db2.gz NXURCMXZRDDVFA-INIZCTEOSA-N 0 3 320.392 3.149 20 30 DGEDHN CCN1CCC[C@H](Oc2ccc(OC(F)(F)F)cc2C#N)C1 ZINC001229836993 1097396065 /nfs/dbraw/zinc/39/60/65/1097396065.db2.gz NLRNWPRHJHCLIT-ZDUSSCGKSA-N 0 3 314.307 3.320 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001230328342 1097476718 /nfs/dbraw/zinc/47/67/18/1097476718.db2.gz AOOZXYUSHOFVCB-UHFFFAOYSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230659399 1097548796 /nfs/dbraw/zinc/54/87/96/1097548796.db2.gz SVLNGFSEQOKDBI-INIZCTEOSA-N 0 3 304.434 3.481 20 30 DGEDHN COC(=O)c1scc(C#N)c1Nc1ccccc1CN(C)C ZINC001173929250 1097555397 /nfs/dbraw/zinc/55/53/97/1097555397.db2.gz MWYAEUUFMGMJCU-UHFFFAOYSA-N 0 3 315.398 3.212 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@@H]1CC1(C)C)Cc1cccnc1 ZINC001230734183 1097568681 /nfs/dbraw/zinc/56/86/81/1097568681.db2.gz IVYKPAMZYPTGFU-KRWDZBQOSA-N 0 3 315.461 3.012 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001277465323 1097575138 /nfs/dbraw/zinc/57/51/38/1097575138.db2.gz OIIDAFDICPJSIO-RBUKOAKNSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001230770935 1097580241 /nfs/dbraw/zinc/58/02/41/1097580241.db2.gz WUVRNSOMAXRHBB-KRWDZBQOSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001230770936 1097580383 /nfs/dbraw/zinc/58/03/83/1097580383.db2.gz WUVRNSOMAXRHBB-QGZVFWFLSA-N 0 3 315.461 3.283 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCCO1 ZINC001230824319 1097599083 /nfs/dbraw/zinc/59/90/83/1097599083.db2.gz XEFKTPVVZSWVJZ-MSOLQXFVSA-N 0 3 324.509 3.449 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001231027244 1097649666 /nfs/dbraw/zinc/64/96/66/1097649666.db2.gz XLKFFRYJFHXRDU-IAGOWNOFSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCC(C)(C)C ZINC001231094443 1097666926 /nfs/dbraw/zinc/66/69/26/1097666926.db2.gz GRNZYTBQYCSXNV-IAGOWNOFSA-N 0 3 324.509 3.327 20 30 DGEDHN C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1Cc1cccc2ccccc21 ZINC001231246666 1097701235 /nfs/dbraw/zinc/70/12/35/1097701235.db2.gz HORJQJTZXMXYQJ-MAUKXSAKSA-N 0 3 321.424 3.032 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](CCC)c3ccccc3)C2)C1 ZINC001277538147 1097783083 /nfs/dbraw/zinc/78/30/83/1097783083.db2.gz OQQGPWHKSNLITL-TZIWHRDSSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCOc1cccc(CN2CCc3ncnc(CC)c3CC2)c1 ZINC001231622825 1097794538 /nfs/dbraw/zinc/79/45/38/1097794538.db2.gz JRTSDEYQRBLMBT-UHFFFAOYSA-N 0 3 323.440 3.205 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@@H](C(=O)OCCCC)C2)c1 ZINC001231624480 1097795087 /nfs/dbraw/zinc/79/50/87/1097795087.db2.gz HPUPFROVKPZJQS-QGZVFWFLSA-N 0 3 317.429 3.417 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001231817715 1097854406 /nfs/dbraw/zinc/85/44/06/1097854406.db2.gz MJPHQNBXBFRLTJ-CQSZACIVSA-N 0 3 311.351 3.421 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1ccn(CC)n1 ZINC001174977521 1097892097 /nfs/dbraw/zinc/89/20/97/1097892097.db2.gz CEMOPEUJVPJKCX-MRXNPFEDSA-N 0 3 320.481 3.024 20 30 DGEDHN CC(C)(C)c1cc(CN2CCC3SC(=O)C=C3C2)ccn1 ZINC001232214978 1097968830 /nfs/dbraw/zinc/96/88/30/1097968830.db2.gz AKHSOQBOQOICQN-CQSZACIVSA-N 0 3 302.443 3.153 20 30 DGEDHN COc1cc(Cl)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001232496904 1098060504 /nfs/dbraw/zinc/06/05/04/1098060504.db2.gz GPWYNQLJAMSCQW-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN O=C1C=C2CN(Cc3ncc(Cl)cc3Cl)CCC2S1 ZINC001232570034 1098079405 /nfs/dbraw/zinc/07/94/05/1098079405.db2.gz AQWULHPFYWMFBP-GFCCVEGCSA-N 0 3 315.225 3.163 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001232608525 1098092884 /nfs/dbraw/zinc/09/28/84/1098092884.db2.gz LRWIRAPWWYSHOT-IRXDYDNUSA-N 0 3 321.827 3.220 20 30 DGEDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232678982 1098113501 /nfs/dbraw/zinc/11/35/01/1098113501.db2.gz WYBXIABZRDLTDM-ROUUACIJSA-N 0 3 313.445 3.103 20 30 DGEDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232678982 1098113502 /nfs/dbraw/zinc/11/35/02/1098113502.db2.gz WYBXIABZRDLTDM-ROUUACIJSA-N 0 3 313.445 3.103 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3cc(F)cc(C#N)c3)cc2)CC1 ZINC001175684800 1098137553 /nfs/dbraw/zinc/13/75/53/1098137553.db2.gz BZGHSEPZQYVFKY-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN(Cc3cccc(C#N)n3)C2)c1 ZINC001232926670 1098174918 /nfs/dbraw/zinc/17/49/18/1098174918.db2.gz ZNQZYUWKIYXWBG-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN Cc1cccnc1O[C@@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC001233083365 1098222170 /nfs/dbraw/zinc/22/21/70/1098222170.db2.gz HPOSTCASMWLPFL-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001233081349 1098222251 /nfs/dbraw/zinc/22/22/51/1098222251.db2.gz VBKPYTFJKZTWEJ-UHFFFAOYSA-N 0 3 324.399 3.489 20 30 DGEDHN CCc1nnc(C2CCN(Cc3ccc(C#N)cc3C)CC2)o1 ZINC001233082605 1098222455 /nfs/dbraw/zinc/22/24/55/1098222455.db2.gz UBDTWSVTTSOZLA-UHFFFAOYSA-N 0 3 310.401 3.192 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001233082711 1098222682 /nfs/dbraw/zinc/22/26/82/1098222682.db2.gz UVPKZIQXWWOAQL-NRFANRHFSA-N 0 3 317.436 3.282 20 30 DGEDHN OC1(C2(CNCC#Cc3ccc(Cl)cc3)CCC2)CCC1 ZINC001176052493 1098251646 /nfs/dbraw/zinc/25/16/46/1098251646.db2.gz OGMCLHTXNDBCKL-UHFFFAOYSA-N 0 3 303.833 3.366 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CCC ZINC001233760991 1098424983 /nfs/dbraw/zinc/42/49/83/1098424983.db2.gz GQTHYOIJSKBXKQ-IQBZNYMQSA-N 0 3 304.478 3.459 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001176781755 1098429487 /nfs/dbraw/zinc/42/94/87/1098429487.db2.gz MEEVIOTZWNCIJU-INIZCTEOSA-N 0 3 324.852 3.037 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233896896 1098451943 /nfs/dbraw/zinc/45/19/43/1098451943.db2.gz ACJGHEBNMMOMSC-QGZVFWFLSA-N 0 3 306.450 3.325 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001233948560 1098464646 /nfs/dbraw/zinc/46/46/46/1098464646.db2.gz YCVGUMQRXUMOLK-ICSRJNTNSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001233967356 1098468351 /nfs/dbraw/zinc/46/83/51/1098468351.db2.gz ZPLUXISUBWZAIM-QZTJIDSGSA-N 0 3 312.457 3.392 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234001387 1098474049 /nfs/dbraw/zinc/47/40/49/1098474049.db2.gz FGCBJLJFHFGBRB-HOCLYGCPSA-N 0 3 304.434 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC(OCC)C1 ZINC001234079456 1098490906 /nfs/dbraw/zinc/49/09/06/1098490906.db2.gz XOZCSBYZYFEABA-LXPRWKDFSA-N 0 3 324.509 3.305 20 30 DGEDHN CC(=O)N(CCCNCc1ccccc1C#N)CC1CCCC1 ZINC001177174750 1098492193 /nfs/dbraw/zinc/49/21/93/1098492193.db2.gz SHNBRYXMJDWHGW-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234131819 1098501109 /nfs/dbraw/zinc/50/11/09/1098501109.db2.gz SPXIEMGLWRDJCA-OALUTQOASA-N 0 3 312.457 3.330 20 30 DGEDHN C[C@@H](c1ccccn1)N1CCC[C@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144967 1098504015 /nfs/dbraw/zinc/50/40/15/1098504015.db2.gz YKHYIXWRASYJOY-YOEHRIQHSA-N 0 3 323.396 3.263 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCOCC1CC1 ZINC001234275088 1098526303 /nfs/dbraw/zinc/52/63/03/1098526303.db2.gz BDRSBULDTVRAIW-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(S)CC3)c2c1 ZINC001234561826 1098600486 /nfs/dbraw/zinc/60/04/86/1098600486.db2.gz CDFUFJSRVNFFAA-UHFFFAOYSA-N 0 3 303.427 3.448 20 30 DGEDHN C=CC[C@H](NCc1ccc([S@](C)=O)cc1)c1ccncc1 ZINC001177884233 1098635486 /nfs/dbraw/zinc/63/54/86/1098635486.db2.gz BUUDADROAVKWOC-UWJYYQICSA-N 0 3 300.427 3.226 20 30 DGEDHN C#C[C@@H](CC(C)C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234660996 1098637313 /nfs/dbraw/zinc/63/73/13/1098637313.db2.gz OAWBEUDLOQXAGL-SFHVURJKSA-N 0 3 300.446 3.255 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2c(s1)CCC2 ZINC001177905201 1098642962 /nfs/dbraw/zinc/64/29/62/1098642962.db2.gz XBQGHVPIYBBUAF-VIFPVBQESA-N 0 3 303.412 3.014 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2c(s1)CCC2 ZINC001177905199 1098643433 /nfs/dbraw/zinc/64/34/33/1098643433.db2.gz XBQGHVPIYBBUAF-SECBINFHSA-N 0 3 303.412 3.014 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nsc2ncccc12 ZINC001177902670 1098643849 /nfs/dbraw/zinc/64/38/49/1098643849.db2.gz AEQYWJVIMGCATF-SECBINFHSA-N 0 3 314.395 3.074 20 30 DGEDHN C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001178135311 1098734109 /nfs/dbraw/zinc/73/41/09/1098734109.db2.gz XLKGFXIGEJESNU-RDJZCZTQSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1cc(F)cc(F)c1 ZINC001277921084 1098787025 /nfs/dbraw/zinc/78/70/25/1098787025.db2.gz DMYGYDAWPNBYEU-ZDUSSCGKSA-N 0 3 310.388 3.258 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235225132 1098898286 /nfs/dbraw/zinc/89/82/86/1098898286.db2.gz LCUPEFZGWDCZGP-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC/C=C/CC)CCC1 ZINC001235210449 1098881699 /nfs/dbraw/zinc/88/16/99/1098881699.db2.gz SRRKSRWXPLNBMK-DKRLNXSXSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001178802916 1098935284 /nfs/dbraw/zinc/93/52/84/1098935284.db2.gz ZMMPGOUGOHLDHX-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN N#CCc1ccccc1CN1CCC(Oc2ccccn2)CC1 ZINC001235523085 1099072457 /nfs/dbraw/zinc/07/24/57/1099072457.db2.gz KOFSTZROWKCNRX-UHFFFAOYSA-N 0 3 307.397 3.191 20 30 DGEDHN N#CCc1ccccc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001235522783 1099073307 /nfs/dbraw/zinc/07/33/07/1099073307.db2.gz JHWOSPUQZHOHPZ-SFTDATJTSA-N 0 3 317.436 3.211 20 30 DGEDHN N#CCc1ccccc1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001235524749 1099075448 /nfs/dbraw/zinc/07/54/48/1099075448.db2.gz GQIINKUZRHOKDD-OAQYLSRUSA-N 0 3 317.436 3.168 20 30 DGEDHN N#CCc1ccccc1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001235524074 1099076299 /nfs/dbraw/zinc/07/62/99/1099076299.db2.gz YUGXUDLGVWWLRG-LJQANCHMSA-N 0 3 307.397 3.191 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1C ZINC001235549620 1099082012 /nfs/dbraw/zinc/08/20/12/1099082012.db2.gz HPXICLXLXQLEBK-AWEZNQCLSA-N 0 3 321.852 3.156 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179388635 1099089873 /nfs/dbraw/zinc/08/98/73/1099089873.db2.gz MBOTXWFRZPQLBQ-XQQFMLRXSA-N 0 3 319.276 3.487 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCCCCNCc2cnc(C)o2)C1 ZINC001179533966 1099121130 /nfs/dbraw/zinc/12/11/30/1099121130.db2.gz YGSXOMRNSZYQAO-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C=CCCCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235796596 1099183301 /nfs/dbraw/zinc/18/33/01/1099183301.db2.gz SKUQRZIHTUXLDP-HNNXBMFYSA-N 0 3 309.251 3.362 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@H](c3ccc(Cl)cc3)C2)s1 ZINC001235793121 1099184374 /nfs/dbraw/zinc/18/43/74/1099184374.db2.gz VQVPMULWFSAOJQ-INIZCTEOSA-N 0 3 317.845 3.420 20 30 DGEDHN N#Cc1c(Cl)cccc1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235855140 1099216199 /nfs/dbraw/zinc/21/61/99/1099216199.db2.gz SIBBYVWCAGTGJD-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1c(Cl)ccc(C)c1F ZINC001179978201 1099264150 /nfs/dbraw/zinc/26/41/50/1099264150.db2.gz YPIUZZOPKWVOBG-ZDUSSCGKSA-N 0 3 324.827 3.097 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001110235720 1099366417 /nfs/dbraw/zinc/36/64/17/1099366417.db2.gz XWHKXILINKYXDI-MCIONIFRSA-N 0 3 302.409 3.334 20 30 DGEDHN N#Cc1ccccc1OC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204280462 1099503527 /nfs/dbraw/zinc/50/35/27/1099503527.db2.gz KFKCSXNCWNKZKP-UHFFFAOYSA-N 0 3 324.380 3.013 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001273547989 1099596505 /nfs/dbraw/zinc/59/65/05/1099596505.db2.gz MFFBUIJBOGUCBH-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001273553699 1099691914 /nfs/dbraw/zinc/69/19/14/1099691914.db2.gz GJQKBFTYJPNVHW-AWEZNQCLSA-N 0 3 308.388 3.321 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C1CCC(CCCC)CC1 ZINC001278010659 1099786135 /nfs/dbraw/zinc/78/61/35/1099786135.db2.gz WKCTUVCSFXUDPT-WWDZGPRUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001188885035 1099881815 /nfs/dbraw/zinc/88/18/15/1099881815.db2.gz NGGVJKRJJSPRFE-NZSAHSFTSA-N 0 3 312.457 3.322 20 30 DGEDHN C#C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057790 1099950781 /nfs/dbraw/zinc/95/07/81/1099950781.db2.gz FIHWPXOKJATZNT-LBPRGKRZSA-N 0 3 313.319 3.179 20 30 DGEDHN C#C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057790 1099950791 /nfs/dbraw/zinc/95/07/91/1099950791.db2.gz FIHWPXOKJATZNT-LBPRGKRZSA-N 0 3 313.319 3.179 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)CCC=C(C)C)[C@@H]2C1 ZINC001189212901 1099995140 /nfs/dbraw/zinc/99/51/40/1099995140.db2.gz QAUKWNRLMBHLNF-FGTMMUONSA-N 0 3 304.478 3.478 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)CC1 ZINC001278073296 1100048104 /nfs/dbraw/zinc/04/81/04/1100048104.db2.gz URFKDMWFCIWACE-QZTJIDSGSA-N 0 3 312.457 3.009 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2c(C)cccc2CC)C1 ZINC001237333874 1100082051 /nfs/dbraw/zinc/08/20/51/1100082051.db2.gz OMOIVLUYCHBFFT-KRWDZBQOSA-N 0 3 316.445 3.434 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](CC)c3ccccc3)[C@@H]2C1 ZINC001189771369 1100128913 /nfs/dbraw/zinc/12/89/13/1100128913.db2.gz MUJHCNBQAAQJNZ-NZSAHSFTSA-N 0 3 312.457 3.289 20 30 DGEDHN C[C@H]1C[C@H]2CN(Cc3cn(C)c4ccc(C#N)cc34)CC[C@H]2O1 ZINC001237469691 1100134262 /nfs/dbraw/zinc/13/42/62/1100134262.db2.gz XRHTVUDNNWFUHA-ZUEVXXBESA-N 0 3 309.413 3.049 20 30 DGEDHN CCCCCCCCCCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001189922792 1100152679 /nfs/dbraw/zinc/15/26/79/1100152679.db2.gz DNAQEMWQGKNSBZ-ZWKOTPCHSA-N 0 3 324.509 3.042 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190004404 1100184454 /nfs/dbraw/zinc/18/44/54/1100184454.db2.gz OLYODLOGFHHBJK-MAUKXSAKSA-N 0 3 316.420 3.079 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(OC)c2)C1 ZINC001190429156 1100273025 /nfs/dbraw/zinc/27/30/25/1100273025.db2.gz VOYQGITXEBIJBL-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001190705681 1100318410 /nfs/dbraw/zinc/31/84/10/1100318410.db2.gz RIFPYGBPDBXVIB-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001273607617 1100339928 /nfs/dbraw/zinc/33/99/28/1100339928.db2.gz POVADILOKFQQDP-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(O)ccc1C)C2 ZINC001238099384 1100360397 /nfs/dbraw/zinc/36/03/97/1100360397.db2.gz OXBCNCTXUNSEPC-MOPGFXCFSA-N 0 3 317.429 3.027 20 30 DGEDHN C#Cc1ccccc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001191100893 1100399253 /nfs/dbraw/zinc/39/92/53/1100399253.db2.gz MACNLNBSLYMUCG-UHFFFAOYSA-N 0 3 310.441 3.006 20 30 DGEDHN CCCCCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC001191112740 1100402107 /nfs/dbraw/zinc/40/21/07/1100402107.db2.gz JLDRZHPMURAJRE-UHFFFAOYSA-N 0 3 305.466 3.388 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001191889053 1100539506 /nfs/dbraw/zinc/53/95/06/1100539506.db2.gz AFWKSCKDUSEALL-MSOLQXFVSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCCc2ccccc2)C1 ZINC001192102519 1100572022 /nfs/dbraw/zinc/57/20/22/1100572022.db2.gz TWUHJUBDHJQGLP-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001192687939 1100651313 /nfs/dbraw/zinc/65/13/13/1100651313.db2.gz MRIIZSYRLWFDCF-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCc1cccs1 ZINC001281967230 1100677430 /nfs/dbraw/zinc/67/74/30/1100677430.db2.gz CTERENGBGWMCPS-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192989503 1100684815 /nfs/dbraw/zinc/68/48/15/1100684815.db2.gz XFBQNWXJCTVEGB-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110459224 1100742247 /nfs/dbraw/zinc/74/22/47/1100742247.db2.gz ANRMQHABWMNBIQ-AQNXPRMDSA-N 0 3 324.468 3.410 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@]23CCN([C@@H](C)CC)C3=O)cc1 ZINC001273671433 1100878899 /nfs/dbraw/zinc/87/88/99/1100878899.db2.gz GBJMKVAYDNJXBN-OXJNMPFZSA-N 0 3 310.441 3.033 20 30 DGEDHN C=CCOC(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001194312074 1100910521 /nfs/dbraw/zinc/91/05/21/1100910521.db2.gz ASCSZMIZNUHYFT-UHFFFAOYSA-N 0 3 306.381 3.045 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)CCc2ccccc2)C1 ZINC001194381775 1100930967 /nfs/dbraw/zinc/93/09/67/1100930967.db2.gz NICJHIDCNFJRCT-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@H](N(C)CC=C)C1)c1ccccc1 ZINC001194554783 1100965078 /nfs/dbraw/zinc/96/50/78/1100965078.db2.gz FGEBFDNSRNLASJ-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN COc1ccc(C2=CCCN(Cc3ccccc3)C2)nc1CC#N ZINC001240386143 1100968734 /nfs/dbraw/zinc/96/87/34/1100968734.db2.gz BVIRUTJFADPBEW-UHFFFAOYSA-N 0 3 319.408 3.446 20 30 DGEDHN Cc1cnc(C2=CCCN(Cc3ccccc3)C2)c(/C=N/O)c1 ZINC001240386038 1100968999 /nfs/dbraw/zinc/96/89/99/1100968999.db2.gz XFRBNLSKATXNNG-CIAFOILYSA-N 0 3 307.397 3.487 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC001194777659 1101001100 /nfs/dbraw/zinc/00/11/00/1101001100.db2.gz IARWLWAGGSNQTN-UHFFFAOYSA-N 0 3 319.449 3.186 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccc(F)nc2)CC1 ZINC001195321989 1101112870 /nfs/dbraw/zinc/11/28/70/1101112870.db2.gz SAPKUZLHVPVZPY-UHFFFAOYSA-N 0 3 319.424 3.115 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001195821850 1101209695 /nfs/dbraw/zinc/20/96/95/1101209695.db2.gz PQZGPJPRSHVXFX-IAGOWNOFSA-N 0 3 324.509 3.089 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](OCC)C2CC2)CC1 ZINC001195880552 1101216455 /nfs/dbraw/zinc/21/64/55/1101216455.db2.gz WDBQEERINJRPJG-GOSISDBHSA-N 0 3 324.509 3.306 20 30 DGEDHN C=C(C)CCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001196011022 1101235601 /nfs/dbraw/zinc/23/56/01/1101235601.db2.gz VHBGCFPNZNAJJK-UHFFFAOYSA-N 0 3 300.446 3.386 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001196208089 1101266749 /nfs/dbraw/zinc/26/67/49/1101266749.db2.gz CRZQABMMRKCARW-MSOLQXFVSA-N 0 3 324.509 3.306 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C\c2cccc(F)c2)CC1 ZINC001196200525 1101267001 /nfs/dbraw/zinc/26/70/01/1101267001.db2.gz LEFRFOAJOYKJQX-DAXSKMNVSA-N 0 3 316.420 3.339 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](CCC)OC)CC1 ZINC001196742155 1101378966 /nfs/dbraw/zinc/37/89/66/1101378966.db2.gz AMOSZASYPONALK-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196895581 1101428915 /nfs/dbraw/zinc/42/89/15/1101428915.db2.gz MSDLWMWQTGWVLS-SFHVURJKSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCCCN1CCCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC001197278644 1101527953 /nfs/dbraw/zinc/52/79/53/1101527953.db2.gz XTRNOLNPKCDAMP-KRWDZBQOSA-N 0 3 304.409 3.198 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2nc(C)oc2C)CC1 ZINC001197536832 1101583196 /nfs/dbraw/zinc/58/31/96/1101583196.db2.gz QIHAQEPDUKMQEB-UHFFFAOYSA-N 0 3 321.465 3.410 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccc(OC)o2)CC1 ZINC001197536717 1101584306 /nfs/dbraw/zinc/58/43/06/1101584306.db2.gz KVRJSIHSXZNHAY-UHFFFAOYSA-N 0 3 320.433 3.183 20 30 DGEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001197715712 1101636041 /nfs/dbraw/zinc/63/60/41/1101636041.db2.gz KZWHBSKVQIKOIZ-KZNAEPCWSA-N 0 3 324.509 3.111 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cc(CC)on2)CC1 ZINC001197856483 1101680608 /nfs/dbraw/zinc/68/06/08/1101680608.db2.gz WWZIRUBMCILIRG-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)C(CC)CC)C2 ZINC001278336592 1101725032 /nfs/dbraw/zinc/72/50/32/1101725032.db2.gz RJRSBRGBWYCWEE-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCC[C@H](C)N[C@@H](CNC(=O)C1CC1)c1ccccc1OC ZINC001198472404 1101872032 /nfs/dbraw/zinc/87/20/32/1101872032.db2.gz PVWBGXOJRSSIOJ-YOEHRIQHSA-N 0 3 316.445 3.207 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)CCC)c1ccccc1OC ZINC001198490760 1101875421 /nfs/dbraw/zinc/87/54/21/1101875421.db2.gz CXIJXQBAJMNLSK-MRXNPFEDSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)[C@@H](C)CC)c1ccccc1OC ZINC001198539781 1101901917 /nfs/dbraw/zinc/90/19/17/1101901917.db2.gz DJIUEEADAUJDPV-RDJZCZTQSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCC1CCC1)c1ccccc1OC ZINC001198596656 1101921272 /nfs/dbraw/zinc/92/12/72/1101921272.db2.gz UCPLFGKIXGSRBM-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CCC1CC1)c1ccccc1OC ZINC001198626458 1101933362 /nfs/dbraw/zinc/93/33/62/1101933362.db2.gz FKORAKLNQAWZFY-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)C1(C)CC1)c1ccccc1OC ZINC001198732229 1101962604 /nfs/dbraw/zinc/96/26/04/1101962604.db2.gz IZQUSVXDSFDKEF-MRXNPFEDSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198825658 1101985470 /nfs/dbraw/zinc/98/54/70/1101985470.db2.gz DYCXJQAUAMWMRS-OAHLLOKOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198835495 1101991059 /nfs/dbraw/zinc/99/10/59/1101991059.db2.gz UJGTVGSIONLGFL-HNNXBMFYSA-N 0 3 304.434 3.063 20 30 DGEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCCCCC)C1 ZINC001198848933 1101998249 /nfs/dbraw/zinc/99/82/49/1101998249.db2.gz WDHXBNGILYBMKE-ZHALLVOQSA-N 0 3 324.509 3.111 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198857938 1102005170 /nfs/dbraw/zinc/00/51/70/1102005170.db2.gz ZNYWJWPVOOMFFE-NVXWUHKLSA-N 0 3 318.461 3.454 20 30 DGEDHN N#Cc1cc(F)ccc1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001242585040 1102225738 /nfs/dbraw/zinc/22/57/38/1102225738.db2.gz FGYADMAPDNVJLD-IBGZPJMESA-N 0 3 321.355 3.278 20 30 DGEDHN CCCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C#CC1CC1 ZINC001273814751 1102319002 /nfs/dbraw/zinc/31/90/02/1102319002.db2.gz RIYDGEDXVNMRMA-HXUWFJFHSA-N 0 3 324.468 3.133 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202085480 1102823147 /nfs/dbraw/zinc/82/31/47/1102823147.db2.gz UXKSQKIVCCTNIC-KONFJKIVSA-N 0 3 319.276 3.344 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001276299673 1103022972 /nfs/dbraw/zinc/02/29/72/1103022972.db2.gz MBAMVWFECHHOCR-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@@H](COC)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC001325617344 1103083464 /nfs/dbraw/zinc/08/34/64/1103083464.db2.gz YMHYAZNSHYJAMI-INIZCTEOSA-N 0 3 307.397 3.316 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001488655196 1103088898 /nfs/dbraw/zinc/08/88/98/1103088898.db2.gz MOMQXTBICSCPAR-ZIAGYGMSSA-N 0 3 322.399 3.466 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001488671270 1103102564 /nfs/dbraw/zinc/10/25/64/1103102564.db2.gz OUZHMSUYPIMBNR-GJZGRUSLSA-N 0 3 304.409 3.038 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1C=CCCC1 ZINC001325693218 1103102805 /nfs/dbraw/zinc/10/28/05/1103102805.db2.gz FDAYZBDKJYCHOR-IBGZPJMESA-N 0 3 324.468 3.375 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC001325708832 1103105620 /nfs/dbraw/zinc/10/56/20/1103105620.db2.gz WHJYHSMUJHVOEY-LJQANCHMSA-N 0 3 324.468 3.208 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[C@@H](C)CC ZINC001325901462 1103157313 /nfs/dbraw/zinc/15/73/13/1103157313.db2.gz WTRAGOYCYSSROK-RCCFBDPRSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccccc2CC)C1 ZINC001488834038 1103185468 /nfs/dbraw/zinc/18/54/68/1103185468.db2.gz JMUMLAGOQKDTDT-CZIWCDLHSA-N 0 3 320.864 3.028 20 30 DGEDHN Cc1ccccc1[C@H](CO)NC1CC(C#N)(c2ccccc2)C1 ZINC001326033546 1103188634 /nfs/dbraw/zinc/18/86/34/1103188634.db2.gz YFYCKOLRESJFPE-SYYJFZTOSA-N 0 3 306.409 3.242 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(CN(C)C)cc1F ZINC001326040760 1103190083 /nfs/dbraw/zinc/19/00/83/1103190083.db2.gz ZQDIPYTXHJWMMJ-KRWDZBQOSA-N 0 3 308.397 3.055 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1c1ccccc1 ZINC001488885473 1103207066 /nfs/dbraw/zinc/20/70/66/1103207066.db2.gz VAOPPMGOMUQMOS-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccn1 ZINC001488988144 1103233549 /nfs/dbraw/zinc/23/35/49/1103233549.db2.gz OIWPQZUUJSUZSB-CZUORRHYSA-N 0 3 321.852 3.055 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1c[nH]cc1C ZINC001489002913 1103243838 /nfs/dbraw/zinc/24/38/38/1103243838.db2.gz PERHSQRZTUYPRZ-BLLLJJGKSA-N 0 3 323.868 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2cccc(C)c2)C1 ZINC001326348459 1103283196 /nfs/dbraw/zinc/28/31/96/1103283196.db2.gz DRROAKYWFXDMBY-INIZCTEOSA-N 0 3 320.864 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001326419897 1103307793 /nfs/dbraw/zinc/30/77/93/1103307793.db2.gz UKELDZIVKIFBMA-OAHLLOKOSA-N 0 3 306.837 3.189 20 30 DGEDHN N#Cc1ccc(-c2cncc([C@@H]3CN4CCC3CC4)n2)c(Cl)c1 ZINC001244328121 1103366203 /nfs/dbraw/zinc/36/62/03/1103366203.db2.gz QGYGSQULQLPORW-OAHLLOKOSA-N 0 3 324.815 3.478 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114692243 1103392672 /nfs/dbraw/zinc/39/26/72/1103392672.db2.gz CZKHQQLFXQJLHI-KKBVYLPWSA-N 0 3 316.420 3.145 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001493149602 1103394538 /nfs/dbraw/zinc/39/45/38/1103394538.db2.gz QDSWSBJBWFIXTE-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001326713729 1103416994 /nfs/dbraw/zinc/41/69/94/1103416994.db2.gz LOXYEESIXUVYJA-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C1CCC(C(=O)N2CCCC[C@@H]2CNC[C@H](F)CC)CC1 ZINC001326736618 1103425225 /nfs/dbraw/zinc/42/52/25/1103425225.db2.gz UCQPXRUFYBQQNF-IAGOWNOFSA-N 0 3 310.457 3.452 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)CCC1 ZINC001326877503 1103467971 /nfs/dbraw/zinc/46/79/71/1103467971.db2.gz LQUYIJPNVXSOMY-AWEZNQCLSA-N 0 3 318.848 3.095 20 30 DGEDHN Cc1ccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)cc1C#N ZINC001244482517 1103472610 /nfs/dbraw/zinc/47/26/10/1103472610.db2.gz SMODELYGFJSGOW-UHFFFAOYSA-N 0 3 322.412 3.372 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001327148584 1103554316 /nfs/dbraw/zinc/55/43/16/1103554316.db2.gz UGLNBKZMRRXMMI-LFIXQJEJSA-N 0 3 310.441 3.084 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1scc(C)c1Cl ZINC001327212858 1103588072 /nfs/dbraw/zinc/58/80/72/1103588072.db2.gz KQSBTLQFLZFTIX-UHFFFAOYSA-N 0 3 312.866 3.127 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCN(C)Cc2ccccn2)CCC1 ZINC001327257686 1103603512 /nfs/dbraw/zinc/60/35/12/1103603512.db2.gz IGMALBSJXSLNGD-UHFFFAOYSA-N 0 3 315.461 3.108 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC001490603427 1103677477 /nfs/dbraw/zinc/67/74/77/1103677477.db2.gz DHJKGEQERQJTPW-HKUYNNGSSA-N 0 3 324.468 3.093 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)CC(C)C)C2 ZINC001327540029 1103677654 /nfs/dbraw/zinc/67/76/54/1103677654.db2.gz GSQVCWGBFKDLDS-HXUWFJFHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC001490623158 1103684229 /nfs/dbraw/zinc/68/42/29/1103684229.db2.gz JPMXKXLKLJUYIG-WMZOPIPTSA-N 0 3 322.493 3.223 20 30 DGEDHN CCCC1(C(=O)NC[C@@H](NCC#Cc2ccccc2)C2CC2)CC1 ZINC001490704442 1103697640 /nfs/dbraw/zinc/69/76/40/1103697640.db2.gz AWYRTFSIBXOEPO-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN Cc1c(C#N)cccc1-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001244816497 1103698815 /nfs/dbraw/zinc/69/88/15/1103698815.db2.gz MQWFUZMKYVAPDY-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)c(C)c1)C2 ZINC001095960498 1103713775 /nfs/dbraw/zinc/71/37/75/1103713775.db2.gz MLSRRKFZTAMGKS-PVAVHDDUSA-N 0 3 316.832 3.007 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H](C)CC)no1)C2 ZINC001096122107 1103760364 /nfs/dbraw/zinc/76/03/64/1103760364.db2.gz NCMBEZQRRUOVHO-XRGAULLZSA-N 0 3 317.433 3.099 20 30 DGEDHN CCC1(C(=O)N2C[C@H](C)[C@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001327908561 1103762744 /nfs/dbraw/zinc/76/27/44/1103762744.db2.gz ZSJJIVDKMAZFEX-PKOBYXMFSA-N 0 3 324.468 3.055 20 30 DGEDHN CCC1(C(=O)N2C[C@H](NCC#Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001327908446 1103763698 /nfs/dbraw/zinc/76/36/98/1103763698.db2.gz ZSJJIVDKMAZFEX-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@@H]1C ZINC001490797980 1103834481 /nfs/dbraw/zinc/83/44/81/1103834481.db2.gz CHYXDFNAXDBOTG-IMBTUZDBSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cnccc31)C2 ZINC001096545438 1103862153 /nfs/dbraw/zinc/86/21/53/1103862153.db2.gz YKTBOOSKMOKNQE-MNEFBYGVSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(F)c(C)c1)C2 ZINC001096568213 1103867695 /nfs/dbraw/zinc/86/76/95/1103867695.db2.gz CYXYLKYCDOJUCI-IKGGRYGDSA-N 0 3 316.420 3.354 20 30 DGEDHN C=C(C)CCC(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114347726 1103871019 /nfs/dbraw/zinc/87/10/19/1103871019.db2.gz ANYIVDKVFNQDPM-WTFCNGHHSA-N 0 3 310.441 3.103 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3cccc(C)c3)CC1)C2 ZINC001096612542 1103883904 /nfs/dbraw/zinc/88/39/04/1103883904.db2.gz NMSDPEPNDZWHNX-QYZOEREBSA-N 0 3 324.468 3.324 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC3CCC1CC3)C2 ZINC001096620594 1103890315 /nfs/dbraw/zinc/89/03/15/1103890315.db2.gz LQQSKYNZRQMJGN-STEDVDCISA-N 0 3 302.462 3.110 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)C1 ZINC001490799035 1103894013 /nfs/dbraw/zinc/89/40/13/1103894013.db2.gz CXGBLHMIXHEYIC-XLAORIBOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCC(=O)N1CCC(CCNCc2nccs2)CC1 ZINC001495427475 1103897792 /nfs/dbraw/zinc/89/77/92/1103897792.db2.gz GXSKHEKIVYMERU-UHFFFAOYSA-N 0 3 321.490 3.218 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C(C)C ZINC001490809638 1103900506 /nfs/dbraw/zinc/90/05/06/1103900506.db2.gz SJMJORLYMFQFKM-CALCHBBNSA-N 0 3 315.461 3.324 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2oc(C)nc2C)CCC1 ZINC001328399423 1103932414 /nfs/dbraw/zinc/93/24/14/1103932414.db2.gz AJAAJVVKFXSLMX-ZDUSSCGKSA-N 0 3 319.449 3.022 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCCCC)C2 ZINC001111438577 1103945766 /nfs/dbraw/zinc/94/57/66/1103945766.db2.gz FFGOKJBUYYGMJG-TVFCKZIOSA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCCCC(=O)N1CCC2(CC1)CN(CCCC=C)CCO2 ZINC001328492106 1103967666 /nfs/dbraw/zinc/96/76/66/1103967666.db2.gz NGQWSMOUWVSTQK-UHFFFAOYSA-N 0 3 320.477 3.002 20 30 DGEDHN CC1(C)C[C@@H]1C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001328608461 1103998638 /nfs/dbraw/zinc/99/86/38/1103998638.db2.gz KJJRZJFFROZRNK-RBUKOAKNSA-N 0 3 324.468 3.055 20 30 DGEDHN CS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001328619037 1104000147 /nfs/dbraw/zinc/00/01/47/1104000147.db2.gz CQYVCILXDHFPJX-UONOGXRCSA-N 0 3 305.403 3.182 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCC(F)(F)F)C12CCC2 ZINC001202704147 1104125107 /nfs/dbraw/zinc/12/51/07/1104125107.db2.gz OMASYHHGSOCORV-GHMZBOCLSA-N 0 3 324.774 3.098 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cc(F)ccc1OC ZINC001329103521 1104152938 /nfs/dbraw/zinc/15/29/38/1104152938.db2.gz LJVKPNNRJQECGW-OLZOCXBDSA-N 0 3 322.424 3.029 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ns1 ZINC001329103559 1104153194 /nfs/dbraw/zinc/15/31/94/1104153194.db2.gz LWSAULPZWLSXJV-STQMWFEESA-N 0 3 309.479 3.037 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1sc(C)nc1C ZINC001274068398 1104239055 /nfs/dbraw/zinc/23/90/55/1104239055.db2.gz KGKDPNNQNWCLEB-FPLPWBNLSA-N 0 3 321.490 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1sc(C)nc1C ZINC001274068396 1104239191 /nfs/dbraw/zinc/23/91/91/1104239191.db2.gz KGKDPNNQNWCLEB-BQYQJAHWSA-N 0 3 321.490 3.124 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccccc2SC)C1=O ZINC001274198239 1104283532 /nfs/dbraw/zinc/28/35/32/1104283532.db2.gz RWXBDXCXEJCHRZ-GOSISDBHSA-N 0 3 316.470 3.161 20 30 DGEDHN CN(C)Cc1ccccc1NC(=S)Nc1ccc(C#N)cc1 ZINC001245922046 1104311332 /nfs/dbraw/zinc/31/13/32/1104311332.db2.gz LUDILROZJBFKPB-UHFFFAOYSA-N 0 3 310.426 3.429 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001274498393 1104397465 /nfs/dbraw/zinc/39/74/65/1104397465.db2.gz KQGQUBPOWZAFLC-VOTSOKGWSA-N 0 3 318.848 3.191 20 30 DGEDHN CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001274573148 1104411735 /nfs/dbraw/zinc/41/17/35/1104411735.db2.gz UNUCEXLQMAVYRU-ZWKOTPCHSA-N 0 3 313.445 3.145 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1c(C)cccc1F)CC2 ZINC001274582750 1104413805 /nfs/dbraw/zinc/41/38/05/1104413805.db2.gz DXHIBCRPMUVFTH-INIZCTEOSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001274643687 1104434595 /nfs/dbraw/zinc/43/45/95/1104434595.db2.gz LARKPLSZPFWVSL-WMZOPIPTSA-N 0 3 315.461 3.215 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC001274733062 1104473525 /nfs/dbraw/zinc/47/35/25/1104473525.db2.gz MPQZSCHSZGGOBF-ZIAGYGMSSA-N 0 3 306.837 3.299 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1cccc(F)c1Br ZINC001330107501 1104481189 /nfs/dbraw/zinc/48/11/89/1104481189.db2.gz DCHQIFKFMRVAND-LBPRGKRZSA-N 0 3 314.198 3.106 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001330160454 1104491539 /nfs/dbraw/zinc/49/15/39/1104491539.db2.gz KSKLEKYUVVFQGI-PKOBYXMFSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001330160453 1104492205 /nfs/dbraw/zinc/49/22/05/1104492205.db2.gz KSKLEKYUVVFQGI-MJGOQNOKSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1ccccc1F ZINC001274803819 1104497969 /nfs/dbraw/zinc/49/79/69/1104497969.db2.gz KSYOAQXKIBJCFJ-QWHCGFSZSA-N 0 3 312.816 3.166 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001274878055 1104531951 /nfs/dbraw/zinc/53/19/51/1104531951.db2.gz OMKABOWLBLLEOY-OAHLLOKOSA-N 0 3 317.477 3.402 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccccc2[nH]1 ZINC001274962878 1104557347 /nfs/dbraw/zinc/55/73/47/1104557347.db2.gz WOWKTCIZBQWMDS-IYBDPMFKSA-N 0 3 310.445 3.178 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC001274979305 1104565759 /nfs/dbraw/zinc/56/57/59/1104565759.db2.gz RLZCGFLBHPSOIK-KRWDZBQOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccnc1 ZINC001274979099 1104566126 /nfs/dbraw/zinc/56/61/26/1104566126.db2.gz MAZYWHMTQSJVDK-CALCHBBNSA-N 0 3 314.433 3.118 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CCCC(C)C)C[C@]2(C)C1 ZINC001330530012 1104568964 /nfs/dbraw/zinc/56/89/64/1104568964.db2.gz YJXMQOPGROHQQB-KDURUIRLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nc(C(C)(C)C)cs1 ZINC001275115639 1104632342 /nfs/dbraw/zinc/63/23/42/1104632342.db2.gz PYJRMTQKWFEYED-CYBMUJFWSA-N 0 3 321.490 3.163 20 30 DGEDHN CCCCCCCCN1C[C@H]2CC[C@@H](C1)N2COCCOC ZINC001275130792 1104641129 /nfs/dbraw/zinc/64/11/29/1104641129.db2.gz GRCKHOJDSCTSPZ-HDICACEKSA-N 0 3 312.498 3.116 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001275142615 1104646875 /nfs/dbraw/zinc/64/68/75/1104646875.db2.gz XHIBBCZSNJNNFA-KBPBESRZSA-N 0 3 306.837 3.155 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c(C)cc(C)nc1C ZINC001330873555 1104667736 /nfs/dbraw/zinc/66/77/36/1104667736.db2.gz FEAKAISPGVZVEP-CYBMUJFWSA-N 0 3 323.868 3.247 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@@H]2CCN(CCF)C2)C1 ZINC001275182999 1104669197 /nfs/dbraw/zinc/66/91/97/1104669197.db2.gz AZVHMYMZOFAVMK-QZTJIDSGSA-N 0 3 322.468 3.285 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](CC)C(C)(C)C)CCC[C@H]12 ZINC001278466144 1104677968 /nfs/dbraw/zinc/67/79/68/1104677968.db2.gz GURBRGHCDPTYKR-TXPKVOOTSA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2sccc2Cl)C1 ZINC001275233044 1104684097 /nfs/dbraw/zinc/68/40/97/1104684097.db2.gz LTDQQAYTQYYBMX-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001275274217 1104701246 /nfs/dbraw/zinc/70/12/46/1104701246.db2.gz NUJXNVBVQNOHNI-QWHCGFSZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001275319834 1104721469 /nfs/dbraw/zinc/72/14/69/1104721469.db2.gz JODKYQVTSRUQRC-HNNXBMFYSA-N 0 3 317.477 3.402 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)CCc1csc(C)n1 ZINC001275639420 1104842453 /nfs/dbraw/zinc/84/24/53/1104842453.db2.gz VMUKKWBXUDWGCN-GUYCJALGSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(F)CCCC1 ZINC001275684744 1104862236 /nfs/dbraw/zinc/86/22/36/1104862236.db2.gz IVZHCHYYIWMBIY-UHFFFAOYSA-N 0 3 304.837 3.095 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CCC(C)(C)c1ccccc1 ZINC001275730847 1104885275 /nfs/dbraw/zinc/88/52/75/1104885275.db2.gz XQLQVQSQASIVCH-INIZCTEOSA-N 0 3 302.462 3.367 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)c1cccnc1 ZINC001275732569 1104885876 /nfs/dbraw/zinc/88/58/76/1104885876.db2.gz IOBFNEBNPPRHNX-CQSZACIVSA-N 0 3 323.868 3.012 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1csc(C)n1 ZINC001275746037 1104891846 /nfs/dbraw/zinc/89/18/46/1104891846.db2.gz HSKWWNMHAFPBMU-GDBMZVCRSA-N 0 3 321.490 3.182 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001275818598 1104921847 /nfs/dbraw/zinc/92/18/47/1104921847.db2.gz KHWDHNQVENKODT-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001275922041 1104958612 /nfs/dbraw/zinc/95/86/12/1104958612.db2.gz XTCQLEIQYQVSQZ-RDTXWAMCSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCCNC(=S)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001247696773 1104958988 /nfs/dbraw/zinc/95/89/88/1104958988.db2.gz FXDSATPOXHXWCO-QGZVFWFLSA-N 0 3 317.502 3.033 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001275946965 1104965851 /nfs/dbraw/zinc/96/58/51/1104965851.db2.gz UJWMAWIZEZMSLQ-SJLPKXTDSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCCCCCN1CC2(C1)CN(Cc1scnc1C)C2 ZINC001276035797 1104993100 /nfs/dbraw/zinc/99/31/00/1104993100.db2.gz KQFPYIRHVRVWEA-UHFFFAOYSA-N 0 3 305.491 3.316 20 30 DGEDHN C=CCCCCCCCN1CC2(CCN2CCn2ccnc2)C1 ZINC001276042775 1105004701 /nfs/dbraw/zinc/00/47/01/1105004701.db2.gz GFVFQQUFDMPRAS-UHFFFAOYSA-N 0 3 316.493 3.170 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@]34C[C@H]3CCN4)n2)cc1Cl ZINC001247953168 1105020071 /nfs/dbraw/zinc/02/00/71/1105020071.db2.gz GGZBVFUOQMQIAQ-CLAHSXSESA-N 0 3 321.167 3.124 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](CC)SC)CCCCC1 ZINC001276194229 1105044574 /nfs/dbraw/zinc/04/45/74/1105044574.db2.gz JSUBYGGLLWHTDJ-ZDUSSCGKSA-N 0 3 318.914 3.289 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2 ZINC001095582433 1105084947 /nfs/dbraw/zinc/08/49/47/1105084947.db2.gz QUCOEOSWJHCWHE-SWHYSGLUSA-N 0 3 310.850 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(F)c1)C2 ZINC001095718481 1105101307 /nfs/dbraw/zinc/10/13/07/1105101307.db2.gz OQUARZRKSRMMFM-PVAVHDDUSA-N 0 3 302.393 3.045 20 30 DGEDHN C[NH+](C)CCCOc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001248416791 1105111242 /nfs/dbraw/zinc/11/12/42/1105111242.db2.gz FXENDAXICYQLLR-UHFFFAOYSA-N 0 3 311.385 3.338 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCC(C)C ZINC001110962566 1105126670 /nfs/dbraw/zinc/12/66/70/1105126670.db2.gz WESZQVCSBJZAQU-KURKYZTESA-N 0 3 322.493 3.127 20 30 DGEDHN Cc1ccc2c(CN3CCC4SC(=O)C=C4C3)cccc2n1 ZINC001248556128 1105127867 /nfs/dbraw/zinc/12/78/67/1105127867.db2.gz LNUFWNBQHNZELH-QGZVFWFLSA-N 0 3 310.422 3.317 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110984721 1105133989 /nfs/dbraw/zinc/13/39/89/1105133989.db2.gz LOILUNPXTYRSRI-VXNCWWDNSA-N 0 3 322.493 3.125 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC1 ZINC001110987707 1105135129 /nfs/dbraw/zinc/13/51/29/1105135129.db2.gz BFOBGZXUGNIPKS-ZACQAIPSSA-N 0 3 302.462 3.421 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccc4n3CCC4)C2)cc1 ZINC001248825336 1105171798 /nfs/dbraw/zinc/17/17/98/1105171798.db2.gz ZQTLJUKUHXOKHW-HXUWFJFHSA-N 0 3 321.424 3.349 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(OC)cc3Cl)no2)CCCN1 ZINC001249352177 1105271988 /nfs/dbraw/zinc/27/19/88/1105271988.db2.gz WRAHSDXOLKWVIP-MRXNPFEDSA-N 0 3 317.776 3.001 20 30 DGEDHN N#Cc1ccc2cc(CN3CCC(n4cccn4)CC3)[nH]c2c1 ZINC001249430250 1105286573 /nfs/dbraw/zinc/28/65/73/1105286573.db2.gz JSBWVNPBGUUUBG-UHFFFAOYSA-N 0 3 305.385 3.073 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2)[C@@H]1C ZINC001278516470 1105290543 /nfs/dbraw/zinc/29/05/43/1105290543.db2.gz SQQBEJZIFIUJHT-MAUKXSAKSA-N 0 3 318.436 3.304 20 30 DGEDHN N#Cc1c(F)cc(F)cc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249561695 1105316497 /nfs/dbraw/zinc/31/64/97/1105316497.db2.gz QUKNZHMELXZYON-CQSZACIVSA-N 0 3 319.355 3.017 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(F)(F)F)[C@@H]1C ZINC001278526852 1105347214 /nfs/dbraw/zinc/34/72/14/1105347214.db2.gz NMYRZRZXAOUUBO-RYUDHWBXSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C)cc1C)C2 ZINC001097147718 1105352146 /nfs/dbraw/zinc/35/21/46/1105352146.db2.gz LCTXFVHFEMIEJW-KFWWJZLASA-N 0 3 304.459 3.276 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(F)(F)C1)C2 ZINC001097186475 1105360873 /nfs/dbraw/zinc/36/08/73/1105360873.db2.gz ZXYSLTYAQLBBJM-TUVASFSCSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(F)(F)C1)C2 ZINC001097186476 1105360907 /nfs/dbraw/zinc/36/09/07/1105360907.db2.gz ZXYSLTYAQLBBJM-YJNKXOJESA-N 0 3 312.404 3.110 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001097806094 1105446981 /nfs/dbraw/zinc/44/69/81/1105446981.db2.gz WXEPEKPHXGBIRA-KURKYZTESA-N 0 3 310.441 3.264 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2 ZINC001097838602 1105454155 /nfs/dbraw/zinc/45/41/55/1105454155.db2.gz ABYCZHGDLYUDLR-UPJWGTAASA-N 0 3 316.426 3.406 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)C2 ZINC001097977460 1105489009 /nfs/dbraw/zinc/48/90/09/1105489009.db2.gz ULDVCBRGYZJXPM-NEHHDPPZSA-N 0 3 316.489 3.194 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)C2 ZINC001098017165 1105503256 /nfs/dbraw/zinc/50/32/56/1105503256.db2.gz XCUFQSSFJPUOMH-JUSBFGHESA-N 0 3 324.468 3.396 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001278563547 1105505275 /nfs/dbraw/zinc/50/52/75/1105505275.db2.gz AJEYRCJSGAOEJH-CVEARBPZSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC001098045902 1105536368 /nfs/dbraw/zinc/53/63/68/1105536368.db2.gz YFTUCPNNMAQQCP-UWIFEVILSA-N 0 3 316.445 3.298 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001098345021 1105570855 /nfs/dbraw/zinc/57/08/55/1105570855.db2.gz BWJBHVWWRQDZOV-KYJSFNMBSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1C(C)C)C2 ZINC001098481358 1105578965 /nfs/dbraw/zinc/57/89/65/1105578965.db2.gz NIEVUSVHSBCYJI-BMFZPTHFSA-N 0 3 302.418 3.314 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001098851533 1105608650 /nfs/dbraw/zinc/60/86/50/1105608650.db2.gz RCXZIRZCBIVRNG-BJLQDIEVSA-N 0 3 314.473 3.117 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cscc2Cl)C1 ZINC001098891451 1105611813 /nfs/dbraw/zinc/61/18/13/1105611813.db2.gz LSEQQTFXHCAXNH-NHYWBVRUSA-N 0 3 310.850 3.172 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001098947998 1105616764 /nfs/dbraw/zinc/61/67/64/1105616764.db2.gz ONIRPKOTHISOPG-LPHOPBHVSA-N 0 3 302.462 3.114 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001099010536 1105626981 /nfs/dbraw/zinc/62/69/81/1105626981.db2.gz HKZAEWKGJDFTPH-KSSFIOAISA-N 0 3 318.848 3.419 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccsc2)C1 ZINC001099027467 1105631553 /nfs/dbraw/zinc/63/15/53/1105631553.db2.gz REYOJYFKDJZKKQ-KMFMINBZSA-N 0 3 304.459 3.008 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001099023764 1105631614 /nfs/dbraw/zinc/63/16/14/1105631614.db2.gz SBYMMHQOUICDJE-DLBZAZTESA-N 0 3 317.477 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csc(Cl)c2)C1 ZINC001099062916 1105637117 /nfs/dbraw/zinc/63/71/17/1105637117.db2.gz MEQXRIFEQKEGOA-WFASDCNBSA-N 0 3 310.850 3.172 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001099094321 1105641214 /nfs/dbraw/zinc/64/12/14/1105641214.db2.gz ZRVBKVUNVQJPAM-MRXNPFEDSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001099130734 1105646947 /nfs/dbraw/zinc/64/69/47/1105646947.db2.gz QRMQNOREHRNOJV-OAHLLOKOSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3ccccc3n2)C1 ZINC001099132360 1105647141 /nfs/dbraw/zinc/64/71/41/1105647141.db2.gz JCCSLAUGVYRMHE-JXFKEZNVSA-N 0 3 321.424 3.005 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC001251306523 1105648322 /nfs/dbraw/zinc/64/83/22/1105648322.db2.gz IYWDNBVHGMFKHX-NEWSRXKRSA-N 0 3 318.505 3.156 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001099153235 1105650814 /nfs/dbraw/zinc/65/08/14/1105650814.db2.gz HTJVXKWGGIQCIS-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc3ccccc23)C1 ZINC001099184680 1105655514 /nfs/dbraw/zinc/65/55/14/1105655514.db2.gz AVZVYJXVAJWKJX-LIRRHRJNSA-N 0 3 310.397 3.203 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001099187922 1105656143 /nfs/dbraw/zinc/65/61/43/1105656143.db2.gz DGBNQHYBAKPMEN-PXNSSMCTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099194178 1105656340 /nfs/dbraw/zinc/65/63/40/1105656340.db2.gz LIFZVRXRCOZNCS-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099194177 1105656905 /nfs/dbraw/zinc/65/69/05/1105656905.db2.gz LIFZVRXRCOZNCS-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001099303778 1105666484 /nfs/dbraw/zinc/66/64/84/1105666484.db2.gz JGYQCAGHGNDRJR-ZDUSSCGKSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccccc1F ZINC001099325077 1105668989 /nfs/dbraw/zinc/66/89/89/1105668989.db2.gz SBMUKYMRFYSSJB-MRXNPFEDSA-N 0 3 318.436 3.161 20 30 DGEDHN CC(C)=CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001490964432 1105727715 /nfs/dbraw/zinc/72/77/15/1105727715.db2.gz VXSHCWNFUVKGQL-YQQQUEKLSA-N 0 3 323.440 3.136 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001491013207 1105735480 /nfs/dbraw/zinc/73/54/80/1105735480.db2.gz GJFFAKPLAOPJHI-OAGGEKHMSA-N 0 3 316.420 3.317 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001491051734 1105742689 /nfs/dbraw/zinc/74/26/89/1105742689.db2.gz GMYOGGLVTLFBLZ-UHIISALHSA-N 0 3 305.249 3.145 20 30 DGEDHN CC[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491053439 1105743163 /nfs/dbraw/zinc/74/31/63/1105743163.db2.gz VHDKNBWJSBRINN-VNTMZGSJSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCC(=O)NCc1ccccc1 ZINC001252135277 1105747926 /nfs/dbraw/zinc/74/79/26/1105747926.db2.gz BMTWWZMLRLSOAN-GOSISDBHSA-N 0 3 320.477 3.004 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCc1ccc(OC)c(OC)n1 ZINC001252138530 1105748769 /nfs/dbraw/zinc/74/87/69/1105748769.db2.gz DIDHCZMTNILQKX-MRXNPFEDSA-N 0 3 324.465 3.300 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001491082086 1105749830 /nfs/dbraw/zinc/74/98/30/1105749830.db2.gz CLXROHGCDNPNDF-RRQGHBQHSA-N 0 3 320.864 3.163 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001278652794 1105755233 /nfs/dbraw/zinc/75/52/33/1105755233.db2.gz GIAFKXGYLQXYPE-IBGZPJMESA-N 0 3 302.462 3.119 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001491119071 1105757331 /nfs/dbraw/zinc/75/73/31/1105757331.db2.gz BMHMLSOHNNGSDJ-IAGOWNOFSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001491118855 1105758226 /nfs/dbraw/zinc/75/82/26/1105758226.db2.gz XMQRHAYIVBOHLR-MRXNPFEDSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001491263950 1105791133 /nfs/dbraw/zinc/79/11/33/1105791133.db2.gz DRUODPCIVCIVLO-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(CCC)CCC)C1 ZINC001278671838 1105792844 /nfs/dbraw/zinc/79/28/44/1105792844.db2.gz CSXJEOYKOXDKMO-LJQANCHMSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C[C@@](C)(O)CN1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001252557646 1105793187 /nfs/dbraw/zinc/79/31/87/1105793187.db2.gz JHPSLTPHPRPFHN-OAQYLSRUSA-N 0 3 322.452 3.413 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(CCC)CCC)C1 ZINC001278671837 1105793454 /nfs/dbraw/zinc/79/34/54/1105793454.db2.gz CSXJEOYKOXDKMO-IBGZPJMESA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001252618077 1105805563 /nfs/dbraw/zinc/80/55/63/1105805563.db2.gz OTHSJNWJESXFFH-RDTXWAMCSA-N 0 3 312.413 3.084 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001278681355 1105826451 /nfs/dbraw/zinc/82/64/51/1105826451.db2.gz DXPTZXOJONPGQN-MOPGFXCFSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001278690675 1105867163 /nfs/dbraw/zinc/86/71/63/1105867163.db2.gz SSWNRQPIMZPZCZ-SJORKVTESA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H](CO)c1ccc(OC)cc1 ZINC001253251762 1105912281 /nfs/dbraw/zinc/91/22/81/1105912281.db2.gz ODVZFZFHNPHYPQ-IEBWSBKVSA-N 0 3 321.461 3.206 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101373797 1105914189 /nfs/dbraw/zinc/91/41/89/1105914189.db2.gz DJHBNRZSXIARGM-QKLQHJQFSA-N 0 3 318.505 3.252 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CCC)CC(C)C)C[C@]2(C)C1 ZINC001101482055 1105922171 /nfs/dbraw/zinc/92/21/71/1105922171.db2.gz VRLJYANUCWLCMA-NSHGMRRFSA-N 0 3 318.505 3.252 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CCCC)C(C)C)C[C@]2(C)C1 ZINC001101481062 1105922264 /nfs/dbraw/zinc/92/22/64/1105922264.db2.gz YLRBXBPLUKBQRW-HBFSDRIKSA-N 0 3 318.505 3.252 20 30 DGEDHN CC(C)(C)[C@@H](O)CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001253732595 1105976237 /nfs/dbraw/zinc/97/62/37/1105976237.db2.gz LZNXTXCKUYRLIY-INIZCTEOSA-N 0 3 304.409 3.090 20 30 DGEDHN N#CC1CCN(C[C@H](O)C(c2ccccc2)c2ccccc2)CC1 ZINC001253917451 1106000539 /nfs/dbraw/zinc/00/05/39/1106000539.db2.gz GXDAVJBUMKBINU-FQEVSTJZSA-N 0 3 320.436 3.415 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001101943099 1106003535 /nfs/dbraw/zinc/00/35/35/1106003535.db2.gz IQNJQOLNEXXZGI-JQZPLXIWSA-N 0 3 324.468 3.079 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)c(C)o2)C1 ZINC001102863659 1106113734 /nfs/dbraw/zinc/11/37/34/1106113734.db2.gz DTGLHMSMWYAJHZ-IUODEOHRSA-N 0 3 324.852 3.337 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2c(C)coc2C)C1 ZINC001102938027 1106120232 /nfs/dbraw/zinc/12/02/32/1106120232.db2.gz QMNKYLYVELJBPC-IAQYHMDHSA-N 0 3 324.852 3.337 20 30 DGEDHN CC(C)(C)OC(=O)Nc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC001254646012 1106120615 /nfs/dbraw/zinc/12/06/15/1106120615.db2.gz ITJUCMGATLGAKE-TZMCWYRMSA-N 0 3 316.405 3.210 20 30 DGEDHN COC(=O)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC001254644586 1106120867 /nfs/dbraw/zinc/12/08/67/1106120867.db2.gz ZJGLSAGNJZJVKP-UGFHNGPFSA-N 0 3 306.793 3.226 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(N3CCCCCC3=O)c2)C1 ZINC001254648339 1106121530 /nfs/dbraw/zinc/12/15/30/1106121530.db2.gz LETHWEVRYCCHKB-WBVHZDCISA-N 0 3 311.429 3.375 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001254673959 1106130411 /nfs/dbraw/zinc/13/04/11/1106130411.db2.gz RTONQEVPCCAYHJ-HUUCEWRRSA-N 0 3 322.412 3.165 20 30 DGEDHN N#CC1(c2ccccc2)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254947257 1106158417 /nfs/dbraw/zinc/15/84/17/1106158417.db2.gz WOPWRIQDEHJHPR-HOTGVXAUSA-N 0 3 308.425 3.301 20 30 DGEDHN CC[C@@H](CC#N)NCC1(c2cccc(OC)c2)CCOCC1 ZINC001255160096 1106194489 /nfs/dbraw/zinc/19/44/89/1106194489.db2.gz FWTBRARQFFEQQL-INIZCTEOSA-N 0 3 302.418 3.025 20 30 DGEDHN CC[C@@H](CC#N)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC001255178866 1106200236 /nfs/dbraw/zinc/20/02/36/1106200236.db2.gz KVXNZQXLBUTMGY-INIZCTEOSA-N 0 3 303.425 3.414 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cocc2C)C1 ZINC001103327800 1106204938 /nfs/dbraw/zinc/20/49/38/1106204938.db2.gz VBWRVVOGPBMZDE-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN C[C@H](Cc1ccc(F)cc1)N1CCN(c2ccccc2C#N)CC1 ZINC001255867593 1106333028 /nfs/dbraw/zinc/33/30/28/1106333028.db2.gz BQPAJZDFLUZZHD-MRXNPFEDSA-N 0 3 323.415 3.451 20 30 DGEDHN C#CCCN[C@H](CNC(=O)/C=C(/C)C1CC1)c1ccccc1CC ZINC001278969687 1106498852 /nfs/dbraw/zinc/49/88/52/1106498852.db2.gz OLVNVHCZYPRXBD-FZWACIFYSA-N 0 3 324.468 3.376 20 30 DGEDHN N#CC1CCC(N2CCN(Cc3c(F)cccc3F)CC2)CC1 ZINC001256973751 1106519329 /nfs/dbraw/zinc/51/93/29/1106519329.db2.gz XCOMNDWFGFGXIB-UHFFFAOYSA-N 0 3 319.399 3.165 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001279003332 1106555806 /nfs/dbraw/zinc/55/58/06/1106555806.db2.gz WTDIQRMHVRUTQY-RHSMWYFYSA-N 0 3 323.506 3.366 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CCC(N1CC[C@@H](C#N)C1)CC2 ZINC001257762530 1106627155 /nfs/dbraw/zinc/62/71/55/1106627155.db2.gz YKWCNIGTIBLHIB-AWEZNQCLSA-N 0 3 319.449 3.012 20 30 DGEDHN C=CCOCc1ncn2c1CN([C@H](C)Cc1ccco1)CCC2 ZINC001258190180 1106692414 /nfs/dbraw/zinc/69/24/14/1106692414.db2.gz VIFRCDMOYMZNFL-OAHLLOKOSA-N 0 3 315.417 3.016 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)Cc1c(C)cc(C)cc1C ZINC001319980511 1106757189 /nfs/dbraw/zinc/75/71/89/1106757189.db2.gz CPMNDDUMKUYENL-UHFFFAOYSA-N 0 3 302.462 3.468 20 30 DGEDHN C#CCN(CCCNC(=O)C1(c2ccccc2)CCCC1)C1CC1 ZINC001316926246 1106771882 /nfs/dbraw/zinc/77/18/82/1106771882.db2.gz GQYCMLVBTDHZRR-UHFFFAOYSA-N 0 3 324.468 3.102 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](CCC)c2ccccn2)CC1 ZINC001316936373 1106784107 /nfs/dbraw/zinc/78/41/07/1106784107.db2.gz WCTNXWIQDGKRCV-KRWDZBQOSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001320019925 1106789728 /nfs/dbraw/zinc/78/97/28/1106789728.db2.gz FWBBNCRNESHZQF-UHFFFAOYSA-N 0 3 317.408 3.195 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001320041367 1106812985 /nfs/dbraw/zinc/81/29/85/1106812985.db2.gz FKVOEWBTOVKNFZ-GOSISDBHSA-N 0 3 314.473 3.292 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001316949469 1106815603 /nfs/dbraw/zinc/81/56/03/1106815603.db2.gz SNZIOBGTKYZWRH-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC001316976817 1106836760 /nfs/dbraw/zinc/83/67/60/1106836760.db2.gz UYPSZHWWMZZOQD-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCc2ccccc2)C1 ZINC001316987550 1106856086 /nfs/dbraw/zinc/85/60/86/1106856086.db2.gz TVLBLHHXRJJWEC-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001316987532 1106860676 /nfs/dbraw/zinc/86/06/76/1106860676.db2.gz CGXGIVGIMMJWRD-KBPBESRZSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccccc2F)C1 ZINC001320098504 1106869827 /nfs/dbraw/zinc/86/98/27/1106869827.db2.gz RTQVOXDTYNLLRK-FUHWJXTLSA-N 0 3 316.420 3.215 20 30 DGEDHN CCCC[C@H](Cc1ccccc1)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258707502 1106921578 /nfs/dbraw/zinc/92/15/78/1106921578.db2.gz AKKBWIGRLLQIDE-SJORKVTESA-N 0 3 306.450 3.298 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001317037619 1106934728 /nfs/dbraw/zinc/93/47/28/1106934728.db2.gz WONAXTCJRKRFTB-IBGZPJMESA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001258733944 1106939558 /nfs/dbraw/zinc/93/95/58/1106939558.db2.gz OWYZOZCMRKLOBS-BBRMVZONSA-N 0 3 300.418 3.280 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CC ZINC001317048008 1106949104 /nfs/dbraw/zinc/94/91/04/1106949104.db2.gz BOUHZCAVSPOWGG-BDXSIMOUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC001320320750 1106958527 /nfs/dbraw/zinc/95/85/27/1106958527.db2.gz IFDQXCOWQCKHTA-INIZCTEOSA-N 0 3 313.397 3.132 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001317084599 1106979439 /nfs/dbraw/zinc/97/94/39/1106979439.db2.gz RIJCCEFWHFCIDR-KKUMJFAQSA-N 0 3 304.409 3.480 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCCc2ccccc2)C1 ZINC001317119294 1107013282 /nfs/dbraw/zinc/01/32/82/1107013282.db2.gz OKANADMFBWYURZ-CALCHBBNSA-N 0 3 320.864 3.389 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(Cc2ncccc2C)C1 ZINC001317132593 1107031327 /nfs/dbraw/zinc/03/13/27/1107031327.db2.gz RZTMXFCZNNZMOQ-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C1CCC1)C1CCC1 ZINC001320528804 1107043729 /nfs/dbraw/zinc/04/37/29/1107043729.db2.gz JBNKXOVUSZLEFI-ZDUSSCGKSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001317140388 1107047177 /nfs/dbraw/zinc/04/71/77/1107047177.db2.gz PRXXETRIJZWFNG-QKLQHJQFSA-N 0 3 318.505 3.300 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1 ZINC001320555735 1107052684 /nfs/dbraw/zinc/05/26/84/1107052684.db2.gz FCLNFAQYJBPEGP-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C[C@@H](COC)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC001320591057 1107063968 /nfs/dbraw/zinc/06/39/68/1107063968.db2.gz BNSYDVGCPMPRJW-RISCZKNCSA-N 0 3 303.431 3.365 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001317167942 1107074576 /nfs/dbraw/zinc/07/45/76/1107074576.db2.gz SEFAOVPRUGAXOO-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001317175494 1107091487 /nfs/dbraw/zinc/09/14/87/1107091487.db2.gz CRGZITZHZDAGPZ-CVEARBPZSA-N 0 3 304.434 3.238 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001317178244 1107098088 /nfs/dbraw/zinc/09/80/88/1107098088.db2.gz XFTDZHPQGQFPHT-TVRKMHQQSA-N 0 3 304.478 3.197 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C(C)(C)C(C)C ZINC001320744538 1107123605 /nfs/dbraw/zinc/12/36/05/1107123605.db2.gz QAPCCFYJACFJLA-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#CC ZINC001317210741 1107131405 /nfs/dbraw/zinc/13/14/05/1107131405.db2.gz ZXJJRCKAJPOIHH-MOPGFXCFSA-N 0 3 314.473 3.049 20 30 DGEDHN CC#CCCCC(=O)N(CC)CCNCc1cc(F)cc(F)c1 ZINC001320816012 1107148119 /nfs/dbraw/zinc/14/81/19/1107148119.db2.gz MFBXJZWPONKOJO-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C[C@H](CNC(=O)C1CCCCCC1)NCc1ccc(C#N)s1 ZINC001317227898 1107152511 /nfs/dbraw/zinc/15/25/11/1107152511.db2.gz CPOFHBBVFJUBHM-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001317264480 1107186000 /nfs/dbraw/zinc/18/60/00/1107186000.db2.gz IPUSMOLHZBKOOG-PXAZEXFGSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001317305440 1107223667 /nfs/dbraw/zinc/22/36/67/1107223667.db2.gz MLZNJHVNANYJCJ-AWEZNQCLSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC001317360917 1107262648 /nfs/dbraw/zinc/26/26/48/1107262648.db2.gz ZXAGAYBHMSHREH-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001321184554 1107276829 /nfs/dbraw/zinc/27/68/29/1107276829.db2.gz GVDQVHOOHWVFEG-WAYWQWQTSA-N 0 3 304.409 3.190 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001317382720 1107292793 /nfs/dbraw/zinc/29/27/93/1107292793.db2.gz GVMDMSIPUBDSQO-QKLQHJQFSA-N 0 3 318.505 3.395 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)CCC(C)(C)c1ccccc1 ZINC001321431700 1107348028 /nfs/dbraw/zinc/34/80/28/1107348028.db2.gz ZXFVIGUGYLTQPG-MDZDMXLPSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001321628039 1107397773 /nfs/dbraw/zinc/39/77/73/1107397773.db2.gz MIVQBTLORQZRKN-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001317463840 1107417711 /nfs/dbraw/zinc/41/77/11/1107417711.db2.gz NMIURNBZFMJSTQ-SFHVURJKSA-N 0 3 302.462 3.188 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001317508896 1107471147 /nfs/dbraw/zinc/47/11/47/1107471147.db2.gz GKZZCHUNAWZDOL-SJLPKXTDSA-N 0 3 300.446 3.255 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc2sccc2c1 ZINC001317544934 1107510669 /nfs/dbraw/zinc/51/06/69/1107510669.db2.gz UYXPJOLLQKTGLM-UHFFFAOYSA-N 0 3 314.454 3.366 20 30 DGEDHN C#CC[C@H](CCOC)NCc1ccc(-c2ccncc2)cc1F ZINC001261789528 1107529420 /nfs/dbraw/zinc/52/94/20/1107529420.db2.gz GQZPVTMMDYOIKE-GOSISDBHSA-N 0 3 312.388 3.406 20 30 DGEDHN C=CCN(CCNC(=O)C[C@@H](C)c1ccccc1C)C1CC1 ZINC001317559303 1107539882 /nfs/dbraw/zinc/53/98/82/1107539882.db2.gz VRYHANCXZFMUJO-MRXNPFEDSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001262007135 1107570709 /nfs/dbraw/zinc/57/07/09/1107570709.db2.gz UVGRULJGSRXCBE-KGLIPLIRSA-N 0 3 313.228 3.473 20 30 DGEDHN CC(C)N(CCCNC(=O)C(C)(C)C)Cc1ccccc1C#N ZINC001317708772 1107612963 /nfs/dbraw/zinc/61/29/63/1107612963.db2.gz BOBUPZQWRXPKTE-UHFFFAOYSA-N 0 3 315.461 3.321 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1sccc1C)c1ccccc1 ZINC001317714316 1107616280 /nfs/dbraw/zinc/61/62/80/1107616280.db2.gz PBPRGVKACUUPKQ-INIZCTEOSA-N 0 3 312.438 3.141 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(C(C)C)on1)c1ccccc1 ZINC001317721047 1107621578 /nfs/dbraw/zinc/62/15/78/1107621578.db2.gz BDHAPOFTCGCEIP-INIZCTEOSA-N 0 3 313.401 3.045 20 30 DGEDHN C#CCC1(C(=O)N[C@H](C)CN(C)CC=C(C)C)CCCCC1 ZINC001322307639 1107624383 /nfs/dbraw/zinc/62/43/83/1107624383.db2.gz QTKBBMPYWUWRRS-QGZVFWFLSA-N 0 3 304.478 3.363 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001317769430 1107651726 /nfs/dbraw/zinc/65/17/26/1107651726.db2.gz DCNCSRNXGUSBRO-SLFFLAALSA-N 0 3 324.468 3.126 20 30 DGEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001262569755 1107725279 /nfs/dbraw/zinc/72/52/79/1107725279.db2.gz FXLKPVSICYEQPZ-CABCVRRESA-N 0 3 316.836 3.199 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cc(F)c(C#N)c(F)c1 ZINC001262573195 1107726680 /nfs/dbraw/zinc/72/66/80/1107726680.db2.gz PEACXKGBHYGODL-KZULUSFZSA-N 0 3 316.351 3.091 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001322678434 1107733021 /nfs/dbraw/zinc/73/30/21/1107733021.db2.gz OUZKNZPKKUTWSJ-UHFFFAOYSA-N 0 3 315.244 3.453 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001317944425 1107755743 /nfs/dbraw/zinc/75/57/43/1107755743.db2.gz KFSXHUDEQBFRLV-ZBFHGGJFSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001317984993 1107785571 /nfs/dbraw/zinc/78/55/71/1107785571.db2.gz LIMYWRIZAJIFFA-MSOLQXFVSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1scnc1C)C1CC1 ZINC001323064091 1107821592 /nfs/dbraw/zinc/82/15/92/1107821592.db2.gz OSWQTXWRYXXNCB-WMLDXEAASA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001323245961 1107901802 /nfs/dbraw/zinc/90/18/02/1107901802.db2.gz JOLJWONQBKOJON-GOSISDBHSA-N 0 3 311.429 3.018 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001323274214 1107912479 /nfs/dbraw/zinc/91/24/79/1107912479.db2.gz WZLRTUUQURBRFG-WFASDCNBSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001323356332 1107948543 /nfs/dbraw/zinc/94/85/43/1107948543.db2.gz ILZILMIVGROGMA-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(CCOC2CCCCCC2)C1 ZINC001318351890 1107955639 /nfs/dbraw/zinc/95/56/39/1107955639.db2.gz YMKRVVZDKZQNBT-QGZVFWFLSA-N 0 3 322.493 3.273 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001318371488 1107964626 /nfs/dbraw/zinc/96/46/26/1107964626.db2.gz QOAXGLYQHQRQGA-CQSZACIVSA-N 0 3 321.490 3.345 20 30 DGEDHN CCC(=CC(=O)NCC1(NCc2cccc(C#N)c2)CC1)CC ZINC001323423357 1107969618 /nfs/dbraw/zinc/96/96/18/1107969618.db2.gz QJSGARALICKYSY-UHFFFAOYSA-N 0 3 311.429 3.043 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC001263198692 1107973114 /nfs/dbraw/zinc/97/31/14/1107973114.db2.gz HJAORBNQZSGXTH-QGZVFWFLSA-N 0 3 317.408 3.118 20 30 DGEDHN CCC[C@@](C)(NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC001263246229 1107987959 /nfs/dbraw/zinc/98/79/59/1107987959.db2.gz JUJMILHTGXMRFR-SJLPKXTDSA-N 0 3 301.434 3.229 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001263277333 1107994837 /nfs/dbraw/zinc/99/48/37/1107994837.db2.gz DZFMWTUWBNQQHE-CABCVRRESA-N 0 3 321.852 3.391 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2cccc(CC)c2)CC1 ZINC001323521274 1107999102 /nfs/dbraw/zinc/99/91/02/1107999102.db2.gz ZGNMGHLZWLCSSY-UHFFFAOYSA-N 0 3 312.457 3.181 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(F)cc1F ZINC001263290765 1108000603 /nfs/dbraw/zinc/00/06/03/1108000603.db2.gz BPUNKXMLJKMGLC-BXUZGUMPSA-N 0 3 322.355 3.084 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3cc(C)sc3C)CC2)C1 ZINC001323541019 1108004915 /nfs/dbraw/zinc/00/49/15/1108004915.db2.gz QLANYLMIORLULJ-UHFFFAOYSA-N 0 3 318.486 3.460 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001323540257 1108005415 /nfs/dbraw/zinc/00/54/15/1108005415.db2.gz KXKJQKNKKVVPKD-GOSISDBHSA-N 0 3 318.436 3.475 20 30 DGEDHN CCc1ccc(CN2CC[C@H](N(CC)C(=O)C#CC3CC3)C2)cc1 ZINC001318469849 1108032020 /nfs/dbraw/zinc/03/20/20/1108032020.db2.gz GRUBYALSVGVYJE-FQEVSTJZSA-N 0 3 324.468 3.085 20 30 DGEDHN CC[C@H](CNC(=O)C1CC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001318520249 1108077755 /nfs/dbraw/zinc/07/77/55/1108077755.db2.gz XERZYCZAXBRTNR-CYBMUJFWSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)CC1 ZINC001323834638 1108098216 /nfs/dbraw/zinc/09/82/16/1108098216.db2.gz BKVVSLXHVFOZFG-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001263616188 1108110751 /nfs/dbraw/zinc/11/07/51/1108110751.db2.gz PVOJLKDYPDCOPT-ZJUUUORDSA-N 0 3 300.189 3.053 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2scnc2C)CCC1 ZINC001318570772 1108102716 /nfs/dbraw/zinc/10/27/16/1108102716.db2.gz RCPRHHFDQMAZOZ-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001318570346 1108102870 /nfs/dbraw/zinc/10/28/70/1108102870.db2.gz ZPMGKPROOSCLRK-GOSISDBHSA-N 0 3 314.473 3.349 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001263616441 1108111695 /nfs/dbraw/zinc/11/16/95/1108111695.db2.gz WSKKETJYQPVTDS-XUJLQICISA-N 0 3 311.360 3.412 20 30 DGEDHN C#CCCCC(=O)NC1(CNCC=C(Cl)Cl)CCCC1 ZINC001318627723 1108131849 /nfs/dbraw/zinc/13/18/49/1108131849.db2.gz OPPFFINQPIKLOA-UHFFFAOYSA-N 0 3 317.260 3.128 20 30 DGEDHN CC(C)C#CC(=O)NC1(CNCc2ccccc2F)CCCC1 ZINC001318631811 1108133189 /nfs/dbraw/zinc/13/31/89/1108133189.db2.gz GECJIEXORZONDG-UHFFFAOYSA-N 0 3 316.420 3.004 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2ccns2)CCCC[C@@H]1C ZINC001318741678 1108175886 /nfs/dbraw/zinc/17/58/86/1108175886.db2.gz JSYSFSGSWSTVRJ-WMLDXEAASA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001263812110 1108219129 /nfs/dbraw/zinc/21/91/29/1108219129.db2.gz HPIOVWHEQFQQNA-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1C ZINC001263811903 1108219631 /nfs/dbraw/zinc/21/96/31/1108219631.db2.gz CDHNZGIUDQNDEA-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN CC/C=C\CCN1CC[C@H]1CN(C)C(=O)CC#Cc1ccccc1 ZINC001263821575 1108234374 /nfs/dbraw/zinc/23/43/74/1108234374.db2.gz VAFAOXVHGZFSFY-FBQMEGEOSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(c2ccccc2C)CC1 ZINC001263823306 1108236716 /nfs/dbraw/zinc/23/67/16/1108236716.db2.gz KNFOLMSMHIPBMV-KRWDZBQOSA-N 0 3 312.457 3.135 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC001324340047 1108257987 /nfs/dbraw/zinc/25/79/87/1108257987.db2.gz PAADRKISASUDHY-GOSISDBHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001263863022 1108267836 /nfs/dbraw/zinc/26/78/36/1108267836.db2.gz BMSXLFGWOQUVCS-KOMQPUFPSA-N 0 3 304.409 3.166 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCC2(CC2)C1)C1CCN(CC=C)CC1 ZINC001324386117 1108271984 /nfs/dbraw/zinc/27/19/84/1108271984.db2.gz CODBLTFVEKVSFH-QGZVFWFLSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCCC)C1 ZINC001263882278 1108281957 /nfs/dbraw/zinc/28/19/57/1108281957.db2.gz HYMZSEKQXUGXIC-RBUKOAKNSA-N 0 3 312.457 3.174 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)/C=C(\C)CC)C2)CC1 ZINC001263937195 1108303068 /nfs/dbraw/zinc/30/30/68/1108303068.db2.gz WBMULTYLCMBPDE-MAUBAPBLSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001319106675 1108316229 /nfs/dbraw/zinc/31/62/29/1108316229.db2.gz LAXXONDFXFJODP-IUODEOHRSA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)CCCCCC)C[C@@H]2C1 ZINC001264099492 1108373460 /nfs/dbraw/zinc/37/34/60/1108373460.db2.gz DBWLUBXTYBNJHF-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001319241771 1108380728 /nfs/dbraw/zinc/38/07/28/1108380728.db2.gz JBYBNJZXYLFOHX-HBZGRHIISA-N 0 3 307.265 3.250 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001324641521 1108393670 /nfs/dbraw/zinc/39/36/70/1108393670.db2.gz LSQTXXXWVLUDTG-QFBILLFUSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCCCN1CC[C@@](C)(NC(=O)c2cnc(C(C)C)s2)C1 ZINC001324680076 1108422125 /nfs/dbraw/zinc/42/21/25/1108422125.db2.gz HPLFZDBZETVLDH-QGZVFWFLSA-N 0 3 321.490 3.427 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@](C)(F)CCCC)CC(C)(C)C1 ZINC001264194667 1108428636 /nfs/dbraw/zinc/42/86/36/1108428636.db2.gz DDTDKMGUGOYGJO-YJBOKZPZSA-N 0 3 310.457 3.145 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](CC)CC(C)C)CC(C)(C)C1 ZINC001264196953 1108432986 /nfs/dbraw/zinc/43/29/86/1108432986.db2.gz PSSUOJGARJCBNC-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN COC(=O)CC(C)(C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC001319396843 1108445932 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C=CCN1CCC[C@@](C)(CNC(=O)c2coc3ccccc23)C1 ZINC001324983678 1108550737 /nfs/dbraw/zinc/55/07/37/1108550737.db2.gz OEUYVHLBPRAZSL-IBGZPJMESA-N 0 3 312.413 3.451 20 30 DGEDHN C#CCCCC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C\Cl)CC2 ZINC001264495470 1108552187 /nfs/dbraw/zinc/55/21/87/1108552187.db2.gz IVUUFGBCYFQKLN-DIEDAUMRSA-N 0 3 322.880 3.245 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)[C@H]1C ZINC001264735113 1108636149 /nfs/dbraw/zinc/63/61/49/1108636149.db2.gz PZYMRDLSHVTRQQ-COXVUDFISA-N 0 3 304.409 3.084 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1CC ZINC001325367789 1108636675 /nfs/dbraw/zinc/63/66/75/1108636675.db2.gz ZJKVQZBOBKRWOE-MSOLQXFVSA-N 0 3 318.436 3.013 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)CC(C)(C)C1 ZINC001264753283 1108650839 /nfs/dbraw/zinc/65/08/39/1108650839.db2.gz FBSGEHBJFVDYLT-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cncs1 ZINC001319861437 1108667133 /nfs/dbraw/zinc/66/71/33/1108667133.db2.gz OTHHJZOGFSVRLT-ZBFHGGJFSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)sc1C)C(C)C ZINC001319928183 1108698162 /nfs/dbraw/zinc/69/81/62/1108698162.db2.gz JUECDXUPHLAPDG-CQSZACIVSA-N 0 3 314.882 3.461 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(OC)c(C)c1)C(C)C ZINC001319956197 1108714029 /nfs/dbraw/zinc/71/40/29/1108714029.db2.gz QGTWYTBVDQLGOI-OAHLLOKOSA-N 0 3 324.852 3.100 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H](C)c1cccc(C)c1)C1CC1 ZINC001265177211 1108760025 /nfs/dbraw/zinc/76/00/25/1108760025.db2.gz LLZFTGDIPYYYEU-QGZVFWFLSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001265201765 1108772792 /nfs/dbraw/zinc/77/27/92/1108772792.db2.gz VMYWBXVLMSQMRL-HNNXBMFYSA-N 0 3 318.436 3.113 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001265298880 1108811557 /nfs/dbraw/zinc/81/15/57/1108811557.db2.gz DILJJAJBXGRVGI-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CC)CCCC)CC1 ZINC001265323905 1108827661 /nfs/dbraw/zinc/82/76/61/1108827661.db2.gz PIIIXBDBJBMJKA-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CC2(C)CCCCC2)CC1 ZINC001265330046 1108829129 /nfs/dbraw/zinc/82/91/29/1108829129.db2.gz RPPJFHSDQYLKSL-QGZVFWFLSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC23CCN(CC#CC)CC3)CCCC1 ZINC001265336108 1108831666 /nfs/dbraw/zinc/83/16/66/1108831666.db2.gz QHSCIOIFIYCFRT-KRWDZBQOSA-N 0 3 314.473 3.117 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2coc(C)c2)CC1 ZINC001265338848 1108833236 /nfs/dbraw/zinc/83/32/36/1108833236.db2.gz NEHUNFFJSXAXBT-UHFFFAOYSA-N 0 3 304.434 3.481 20 30 DGEDHN C=C[C@H](C(=O)N1CCC[C@H](CN(C)CCF)C1)c1ccccc1 ZINC001265399002 1108862733 /nfs/dbraw/zinc/86/27/33/1108862733.db2.gz NHHIOHRXGGLLAO-AEFFLSMTSA-N 0 3 318.436 3.096 20 30 DGEDHN C=C[C@@H](C(=O)N1CCC[C@H](CN(C)CCF)C1)c1ccccc1 ZINC001265399004 1108863112 /nfs/dbraw/zinc/86/31/12/1108863112.db2.gz NHHIOHRXGGLLAO-SJLPKXTDSA-N 0 3 318.436 3.096 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1OCC ZINC001265402348 1108864039 /nfs/dbraw/zinc/86/40/39/1108864039.db2.gz OFCHWFGBECUDCZ-XWTMOSNGSA-N 0 3 322.493 3.057 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@@H]1C ZINC001265406792 1108865216 /nfs/dbraw/zinc/86/52/16/1108865216.db2.gz GFGMGHZKMKYBSJ-XWTMOSNGSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001265414513 1108867626 /nfs/dbraw/zinc/86/76/26/1108867626.db2.gz LCFQLKUWWHTVNR-KDURUIRLSA-N 0 3 312.457 3.261 20 30 DGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CCCCCC)C1 ZINC001265568156 1108912839 /nfs/dbraw/zinc/91/28/39/1108912839.db2.gz LSAMDPLDYOZKCK-BETUJISGSA-N 0 3 317.271 3.102 20 30 DGEDHN CC(C)(C)C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001265690073 1108967929 /nfs/dbraw/zinc/96/79/29/1108967929.db2.gz QYEVGPNOBLSQTL-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001265706737 1108977512 /nfs/dbraw/zinc/97/75/12/1108977512.db2.gz 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ZINC001280744899 1109246276 /nfs/dbraw/zinc/24/62/76/1109246276.db2.gz PMUTUENAEMDUKT-SJORKVTESA-N 0 3 310.457 3.289 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)/C=C/C(C)(C)C)C1 ZINC001280890237 1109270193 /nfs/dbraw/zinc/27/01/93/1109270193.db2.gz VZMJFGOBMIOSJU-AAIOHFERSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001316607856 1109280310 /nfs/dbraw/zinc/28/03/10/1109280310.db2.gz DVCINJFFPBYFSL-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCCC(=O)N1CCC(CC)(NCc2cscn2)CC1 ZINC001281036585 1109293247 /nfs/dbraw/zinc/29/32/47/1109293247.db2.gz LOIWGEJJDWDEOV-UHFFFAOYSA-N 0 3 321.490 3.360 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC1CC1 ZINC001281064296 1109299187 /nfs/dbraw/zinc/29/91/87/1109299187.db2.gz WRDCQWXTUOTHOG-HXUWFJFHSA-N 0 3 324.468 3.133 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](F)C(C)C)cc2C1 ZINC001281297923 1109326307 /nfs/dbraw/zinc/32/63/07/1109326307.db2.gz GWYPWATXHMZAGO-KRWDZBQOSA-N 0 3 304.409 3.189 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001316611318 1109362716 /nfs/dbraw/zinc/36/27/16/1109362716.db2.gz ZDNDINKHYOAYLD-QZTJIDSGSA-N 0 3 318.436 3.066 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001281745045 1109403458 /nfs/dbraw/zinc/40/34/58/1109403458.db2.gz PJEKLUDAYQXELF-LRDDRELGSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1scnc1C(C)C ZINC001281750945 1109403749 /nfs/dbraw/zinc/40/37/49/1109403749.db2.gz HWTYQBOEHTTZHO-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC001281839827 1109410634 /nfs/dbraw/zinc/41/06/34/1109410634.db2.gz DSAWLAGAHMXKAL-MRXNPFEDSA-N 0 3 324.896 3.490 20 30 DGEDHN CC[C@@H](C)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001281851914 1109411917 /nfs/dbraw/zinc/41/19/17/1109411917.db2.gz GNABXKMAUUQEII-MJGOQNOKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(-n2cccc2)c1 ZINC001281950271 1109419768 /nfs/dbraw/zinc/41/97/68/1109419768.db2.gz UFMVREUQAQSMEA-IBGZPJMESA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2sccc2C2CC2)C1 ZINC001282075054 1109442774 /nfs/dbraw/zinc/44/27/74/1109442774.db2.gz CIQRPLLTQHVLHU-UHFFFAOYSA-N 0 3 324.877 3.476 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1CCCCC1 ZINC001282086591 1109445976 /nfs/dbraw/zinc/44/59/76/1109445976.db2.gz OHWKCJXVJFZHBO-STQMWFEESA-N 0 3 319.474 3.183 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2cnc(C)s2)CCC1 ZINC001282182569 1109464205 /nfs/dbraw/zinc/46/42/05/1109464205.db2.gz DMLJNAVZYOSKEH-STQMWFEESA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001282185503 1109465375 /nfs/dbraw/zinc/46/53/75/1109465375.db2.gz OLAWNYSDDUSECE-CABCVRRESA-N 0 3 306.425 3.473 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H](C)C1CC1 ZINC001282334767 1109486696 /nfs/dbraw/zinc/48/66/96/1109486696.db2.gz IFGCPSCNLLKKBI-GFCCVEGCSA-N 0 3 300.874 3.249 20 30 DGEDHN C[C@@H](CNC(=O)C1CCCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001282344625 1109489342 /nfs/dbraw/zinc/48/93/42/1109489342.db2.gz XBZYOTXNHIQQNW-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1C ZINC001282444486 1109511133 /nfs/dbraw/zinc/51/11/33/1109511133.db2.gz RSWHDXYGNDYQJL-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(-c2ccco2)s1 ZINC001282479640 1109522391 /nfs/dbraw/zinc/52/23/91/1109522391.db2.gz YUMHVPAYJVBWEI-LBPRGKRZSA-N 0 3 304.415 3.244 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCCC#CC)CCCCC1 ZINC001282618889 1109537795 /nfs/dbraw/zinc/53/77/95/1109537795.db2.gz DMCRSGKVHQCBKA-UHFFFAOYSA-N 0 3 310.869 3.341 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)C=C(C)C ZINC001282636234 1109540314 /nfs/dbraw/zinc/54/03/14/1109540314.db2.gz JEUNOOMFTMFQOZ-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001282724355 1109556799 /nfs/dbraw/zinc/55/67/99/1109556799.db2.gz GFSGMRPVQGYTNX-MBVDDHJVSA-N 0 3 316.420 3.242 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001282734865 1109557974 /nfs/dbraw/zinc/55/79/74/1109557974.db2.gz SFYHYWQLJHPZHA-QGZVFWFLSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001282734609 1109558001 /nfs/dbraw/zinc/55/80/01/1109558001.db2.gz QBBOSJVGLRPKAN-OAHLLOKOSA-N 0 3 300.446 3.144 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001282744058 1109561731 /nfs/dbraw/zinc/56/17/31/1109561731.db2.gz LOBKCYUVMKZCBN-JKSUJKDBSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CCOCC(C)C)CC1(C)C ZINC001282812389 1109569133 /nfs/dbraw/zinc/56/91/33/1109569133.db2.gz VJSDTICSVVWZBE-MRXNPFEDSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC001282833467 1109572763 /nfs/dbraw/zinc/57/27/63/1109572763.db2.gz KSLCWANQHNQELK-WBVHZDCISA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1C(C)(C)C1(C)C ZINC001283149795 1109598607 /nfs/dbraw/zinc/59/86/07/1109598607.db2.gz ILUOVGZBRJUPQX-GFCCVEGCSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(OC)cc1C ZINC001283228887 1109604806 /nfs/dbraw/zinc/60/48/06/1109604806.db2.gz IOIJFBPEHIVBMX-CQSZACIVSA-N 0 3 324.852 3.244 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283620221 1109661749 /nfs/dbraw/zinc/66/17/49/1109661749.db2.gz UZAJACAXAXGUNO-QGZVFWFLSA-N 0 3 314.473 3.157 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC001284019340 1109716276 /nfs/dbraw/zinc/71/62/76/1109716276.db2.gz YDFAADOSZOCORN-HNAYVOBHSA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)CC3CCCCC3)CCC[C@H]12 ZINC001284068872 1109728700 /nfs/dbraw/zinc/72/87/00/1109728700.db2.gz PDCRFMHKIOXVNK-XKGZKEIXSA-N 0 3 316.489 3.339 20 30 DGEDHN Cc1ccccc1CN1CCC[C@H](NC(=O)C#CC(C)C)[C@@H]1C ZINC001284118747 1109739112 /nfs/dbraw/zinc/73/91/12/1109739112.db2.gz BBWGWBXBQDWETM-HKUYNNGSSA-N 0 3 312.457 3.124 20 30 DGEDHN Cc1ccccc1CN1CCC[C@H](NC(=O)C#CC(C)C)[C@H]1C ZINC001284118753 1109739475 /nfs/dbraw/zinc/73/94/75/1109739475.db2.gz BBWGWBXBQDWETM-MJGOQNOKSA-N 0 3 312.457 3.124 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cc(F)ccc2F)[C@@H]1C ZINC001284148641 1109749466 /nfs/dbraw/zinc/74/94/66/1109749466.db2.gz MWQQTNZEHWYUQK-GUYCJALGSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C(F)F)cc1)C(C)C ZINC001284553626 1109810712 /nfs/dbraw/zinc/81/07/12/1109810712.db2.gz QVESUKOZBQHWDO-UHFFFAOYSA-N 0 3 322.399 3.430 20 30 DGEDHN C=CCCCC(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001284846871 1109871421 /nfs/dbraw/zinc/87/14/21/1109871421.db2.gz VQJHALAPQUNWEQ-INIZCTEOSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2ccc(C)cc2Cl)CC1 ZINC001284930396 1109881738 /nfs/dbraw/zinc/88/17/38/1109881738.db2.gz SNUCCNIOMZNHNX-UHFFFAOYSA-N 0 3 318.848 3.125 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2cc(C)ns2)C1 ZINC001316636719 1109893702 /nfs/dbraw/zinc/89/37/02/1109893702.db2.gz BLBDEXRJZQWJJQ-CKEIUWERSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2cc(C)ccc2C)C1 ZINC001316637204 1109922024 /nfs/dbraw/zinc/92/20/24/1109922024.db2.gz ILMUIOBCZIFTQH-JCNLHEQBSA-N 0 3 320.864 3.083 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CCCCC1(C)C)C1CCN(C)CC1 ZINC001289195303 1110207163 /nfs/dbraw/zinc/20/71/63/1110207163.db2.gz IMTVAZVXFXUKGY-INIZCTEOSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001317234039 1111095233 /nfs/dbraw/zinc/09/52/33/1111095233.db2.gz FREGMLWMLDHHMH-AWEZNQCLSA-N 0 3 306.837 3.046 20 30 DGEDHN C#CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1CC1 ZINC001308603396 1111450169 /nfs/dbraw/zinc/45/01/69/1111450169.db2.gz KGJTYKVABVCTAD-UHFFFAOYSA-N 0 3 308.466 3.367 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001308867345 1111486154 /nfs/dbraw/zinc/48/61/54/1111486154.db2.gz BDUCPXNJUSWFMT-CRAIPNDOSA-N 0 3 313.441 3.468 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(C)(C)C ZINC001316718639 1111735817 /nfs/dbraw/zinc/73/58/17/1111735817.db2.gz HWFVOHLDRNCBCF-HYVNUMGLSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CN(C)CCOC(C)C ZINC001316802205 1111739084 /nfs/dbraw/zinc/73/90/84/1111739084.db2.gz HZGIYHJUCGFYLJ-KRWDZBQOSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1csc(C)c1C ZINC001316802693 1111770714 /nfs/dbraw/zinc/77/07/14/1111770714.db2.gz OZYOPRLWCFHYDL-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278377496 214125921 /nfs/dbraw/zinc/12/59/21/214125921.db2.gz OUEQWOLEEULBEJ-UHFFFAOYSA-N 0 3 301.308 3.367 20 30 DGEDHN CCc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1 ZINC000434619953 529668508 /nfs/dbraw/zinc/66/85/08/529668508.db2.gz VNFICUZCYDZRPG-AWEZNQCLSA-N 0 3 304.353 3.021 20 30 DGEDHN CC(=O)Nc1cccc([C@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000090107010 185282471 /nfs/dbraw/zinc/28/24/71/185282471.db2.gz IMJIVKYWZHNOGP-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](CC(C)C)c1cccs1 ZINC000272826205 210224440 /nfs/dbraw/zinc/22/44/40/210224440.db2.gz GUUJHVMBJDQOBP-ZDUSSCGKSA-N 0 3 301.477 3.026 20 30 DGEDHN CN1CCN(Cc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000343726342 529773839 /nfs/dbraw/zinc/77/38/39/529773839.db2.gz HKMDNVKGQWOOKK-FQEVSTJZSA-N 0 3 305.425 3.241 20 30 DGEDHN C[C@H](NCCN1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000181553550 199316392 /nfs/dbraw/zinc/31/63/92/199316392.db2.gz YROMLLRLDDSNES-AWEZNQCLSA-N 0 3 311.454 3.329 20 30 DGEDHN CN(CCC#N)C(=O)CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000131172695 529866750 /nfs/dbraw/zinc/86/67/50/529866750.db2.gz LONJQKCAWHDDRR-UHFFFAOYSA-N 0 3 319.836 3.067 20 30 DGEDHN CN(CCCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000174865284 529880815 /nfs/dbraw/zinc/88/08/15/529880815.db2.gz MSXIUCSCZXTFTD-KRWDZBQOSA-N 0 3 313.445 3.444 20 30 DGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000181535799 529867074 /nfs/dbraw/zinc/86/70/74/529867074.db2.gz ARPMXRZVSBJNOH-INIZCTEOSA-N 0 3 319.836 3.239 20 30 DGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccccc1Cl ZINC000131197543 529867109 /nfs/dbraw/zinc/86/71/09/529867109.db2.gz ONKFCCAJUJLXKN-MRXNPFEDSA-N 0 3 319.836 3.239 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000286725592 219131270 /nfs/dbraw/zinc/13/12/70/219131270.db2.gz DPTLVTJAKCRUFU-SFHVURJKSA-N 0 3 314.816 3.247 20 30 DGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc(C#N)cc1F ZINC000413180760 529970844 /nfs/dbraw/zinc/97/08/44/529970844.db2.gz ZGSYQBBDVCPPPR-MRXNPFEDSA-N 0 3 324.403 3.051 20 30 DGEDHN CN(Cc1ccc(CC#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000342763901 529984517 /nfs/dbraw/zinc/98/45/17/529984517.db2.gz FCFMKBFNJXFQRQ-KRWDZBQOSA-N 0 3 308.381 3.024 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000103482024 432011164 /nfs/dbraw/zinc/01/11/64/432011164.db2.gz FCSMUTOJXGTPHK-ZDUSSCGKSA-N 0 3 321.852 3.173 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104696455 432016928 /nfs/dbraw/zinc/01/69/28/432016928.db2.gz KEPVIMFPOSJNNA-HNAYVOBHSA-N 0 3 313.445 3.126 20 30 DGEDHN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104704790 432017416 /nfs/dbraw/zinc/01/74/16/432017416.db2.gz UGZMMKTVNADPCQ-SUMWQHHRSA-N 0 3 317.408 3.017 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC000106035243 432019457 /nfs/dbraw/zinc/01/94/57/432019457.db2.gz PSEUFIRYSKLHEQ-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000106245411 432020595 /nfs/dbraw/zinc/02/05/95/432020595.db2.gz NPKYKDFICHNZBA-UHFFFAOYSA-N 0 3 323.824 3.378 20 30 DGEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000331302695 233011806 /nfs/dbraw/zinc/01/18/06/233011806.db2.gz XLINCZBDYYQEPJ-XUJVJEKNSA-N 0 3 324.371 3.141 20 30 DGEDHN N#Cc1nc(N2CCN(C3CCCCC3)CC2)ccc1Cl ZINC000152424624 186071218 /nfs/dbraw/zinc/07/12/18/186071218.db2.gz HUXNBAWNTKQNMM-UHFFFAOYSA-N 0 3 304.825 3.061 20 30 DGEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@H]2CCCC2(C)C)c(C#N)c1C ZINC000191850462 186264186 /nfs/dbraw/zinc/26/41/86/186264186.db2.gz QJYCHYJMXRCDBH-RISCZKNCSA-N 0 3 303.406 3.263 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000172113201 198041600 /nfs/dbraw/zinc/04/16/00/198041600.db2.gz PZZDCVFDIHYRDV-AWEZNQCLSA-N 0 3 309.365 3.278 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)c2ccc(C)cc2)CC1 ZINC000172384164 198089355 /nfs/dbraw/zinc/08/93/55/198089355.db2.gz GFGWCQHQHUAHKS-INIZCTEOSA-N 0 3 315.461 3.048 20 30 DGEDHN CNC(=O)c1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000072960928 191256270 /nfs/dbraw/zinc/25/62/70/191256270.db2.gz UVOFBCRUWNBEBF-UHFFFAOYSA-N 0 3 321.424 3.328 20 30 DGEDHN Cc1ncsc1CNCCSCc1ccccc1C#N ZINC000174248095 198309835 /nfs/dbraw/zinc/30/98/35/198309835.db2.gz DCFYILUWEUWTMV-UHFFFAOYSA-N 0 3 303.456 3.346 20 30 DGEDHN CCN(CC)[C@H](CNCc1ccc(C#N)o1)c1ccsc1 ZINC000174267347 198312694 /nfs/dbraw/zinc/31/26/94/198312694.db2.gz GGVKLTHBINIVNO-MRXNPFEDSA-N 0 3 303.431 3.385 20 30 DGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1c[nH]c(C#N)c1 ZINC000182552783 199458458 /nfs/dbraw/zinc/45/84/58/199458458.db2.gz SQZVYLYVWJIBIN-UHFFFAOYSA-N 0 3 308.385 3.043 20 30 DGEDHN N#CC1(CCN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CCCCC1 ZINC000411718053 283045357 /nfs/dbraw/zinc/04/53/57/283045357.db2.gz JZKHIPUSDBTZMF-ZIAGYGMSSA-N 0 3 318.383 3.343 20 30 DGEDHN CCCN(C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000069091107 283076450 /nfs/dbraw/zinc/07/64/50/283076450.db2.gz IAHKPJHFLBEWRL-INIZCTEOSA-N 0 3 301.434 3.280 20 30 DGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000073501867 191322916 /nfs/dbraw/zinc/32/29/16/191322916.db2.gz JPRFAXKCIBJMPQ-UHFFFAOYSA-N 0 3 313.426 3.470 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000291946582 283149066 /nfs/dbraw/zinc/14/90/66/283149066.db2.gz QEEXIVHTDQCHRC-ZWKOTPCHSA-N 0 3 319.408 3.032 20 30 DGEDHN CCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000270805789 283189079 /nfs/dbraw/zinc/18/90/79/283189079.db2.gz VMDOQWAINVJKBJ-CQSZACIVSA-N 0 3 305.397 3.193 20 30 DGEDHN CC(C)(NC[C@H](O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000180880292 199222582 /nfs/dbraw/zinc/22/25/82/199222582.db2.gz YTCRYYXNLQUMOY-KRWDZBQOSA-N 0 3 316.351 3.395 20 30 DGEDHN Cn1cc(CNCCOC2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180148080 432079017 /nfs/dbraw/zinc/07/90/17/432079017.db2.gz CEFPQDBMHNRHLB-UHFFFAOYSA-N 0 3 324.428 3.008 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCSC2(CCOCC2)C1 ZINC000187728133 200150620 /nfs/dbraw/zinc/15/06/20/200150620.db2.gz ZYQYTKPXGPHOOZ-AWEZNQCLSA-N 0 3 302.443 3.217 20 30 DGEDHN Fc1ccc(C#CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134871118 432088024 /nfs/dbraw/zinc/08/80/24/432088024.db2.gz VBDXVRCSYVBSCH-XLIONFOSSA-N 0 3 312.432 3.126 20 30 DGEDHN CO[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433317458 238155313 /nfs/dbraw/zinc/15/53/13/238155313.db2.gz LENVQYWURJFRGU-MOPGFXCFSA-N 0 3 322.408 3.263 20 30 DGEDHN N#Cc1cc2c(nc1NC[C@H]1CCCCN1C1CC1)CCCC2 ZINC000433808558 238168891 /nfs/dbraw/zinc/16/88/91/238168891.db2.gz DIPCXHOMDHSNRY-QGZVFWFLSA-N 0 3 310.445 3.261 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)c(F)c1 ZINC000271985117 209360777 /nfs/dbraw/zinc/36/07/77/209360777.db2.gz XYKWCGKUUMXXRM-CZUORRHYSA-N 0 3 310.376 3.022 20 30 DGEDHN CC(C)(COCc1ccccc1)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000281553550 216380378 /nfs/dbraw/zinc/38/03/78/216380378.db2.gz XPRSQPJWFGONTN-LJQANCHMSA-N 0 3 324.424 3.177 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442705180 239112951 /nfs/dbraw/zinc/11/29/51/239112951.db2.gz ONTQEODYCGWNJB-SECBINFHSA-N 0 3 314.282 3.152 20 30 DGEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC[C@@H]2CCCO2)c1 ZINC000442791291 239124803 /nfs/dbraw/zinc/12/48/03/239124803.db2.gz IWZNIFIEVQNYBZ-JQHSSLGASA-N 0 3 314.429 3.335 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000442793551 239125305 /nfs/dbraw/zinc/12/53/05/239125305.db2.gz RZQNZOMGAULGML-CRAIPNDOSA-N 0 3 320.396 3.116 20 30 DGEDHN N#C[C@@H]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000442868883 239141702 /nfs/dbraw/zinc/14/17/02/239141702.db2.gz RUFXFDGANHSQBO-PBHICJAKSA-N 0 3 301.459 3.340 20 30 DGEDHN Cc1cc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)ccc1C#N ZINC000443998645 239248250 /nfs/dbraw/zinc/24/82/50/239248250.db2.gz WCYADOHENLDOJL-VQTJNVASSA-N 0 3 324.399 3.262 20 30 DGEDHN N#Cc1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1Cl ZINC000195273123 201371889 /nfs/dbraw/zinc/37/18/89/201371889.db2.gz PTNUFSMBQBSLGN-UHFFFAOYSA-N 0 3 303.793 3.025 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cnc(CCc2ccccc2)s1 ZINC000449209305 240069978 /nfs/dbraw/zinc/06/99/78/240069978.db2.gz UTWKMRIOISJCOZ-MRXNPFEDSA-N 0 3 316.470 3.203 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000449352684 240153335 /nfs/dbraw/zinc/15/33/35/240153335.db2.gz XSVLSWMCOGIATB-QWHCGFSZSA-N 0 3 300.793 3.308 20 30 DGEDHN C=C(C)CCNCc1ccc(OC)c(O)c1Br ZINC000449473579 240227030 /nfs/dbraw/zinc/22/70/30/240227030.db2.gz HTZVLOBKIBRKTD-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN CC1(C)C[C@@H](O)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449618914 240323814 /nfs/dbraw/zinc/32/38/14/240323814.db2.gz MLXCZEFXWKHROJ-KRWDZBQOSA-N 0 3 316.445 3.352 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)[C@H](OC)C2CC2)cc1OC ZINC000449627075 240328235 /nfs/dbraw/zinc/32/82/35/240328235.db2.gz FWYABXYKSLIZDJ-ACJLOTCBSA-N 0 3 305.418 3.163 20 30 DGEDHN N#Cc1ccccc1CNC1(Cc2ccccc2)CCOCC1 ZINC000449718095 240382125 /nfs/dbraw/zinc/38/21/25/240382125.db2.gz OPZLMYITJQRFPO-UHFFFAOYSA-N 0 3 306.409 3.440 20 30 DGEDHN Cc1ccccc1C(C)(C)NCC(=O)Nc1sccc1C#N ZINC000293013820 223353192 /nfs/dbraw/zinc/35/31/92/223353192.db2.gz PXZNAJZWMHRVCX-UHFFFAOYSA-N 0 3 313.426 3.392 20 30 DGEDHN COC(=O)[C@@](C)(CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000189946637 432108039 /nfs/dbraw/zinc/10/80/39/432108039.db2.gz ZGKINNUZBDBUEP-QRWLVFNGSA-N 0 3 322.408 3.340 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451352732 241091368 /nfs/dbraw/zinc/09/13/68/241091368.db2.gz IDUIWGPERQTOKX-BMIGLBTASA-N 0 3 310.800 3.211 20 30 DGEDHN OC[C@H]([C@@H](NCC#Cc1cccc(Cl)c1)C1CC1)C1CC1 ZINC000451613361 241188384 /nfs/dbraw/zinc/18/83/84/241188384.db2.gz QOBFXESIXYLKLE-ROUUACIJSA-N 0 3 303.833 3.078 20 30 DGEDHN Fc1ccc(C#CCN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000451627525 241193512 /nfs/dbraw/zinc/19/35/12/241193512.db2.gz NKRHYZPXNLBPSE-MOPGFXCFSA-N 0 3 313.416 3.458 20 30 DGEDHN C=C(C)CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000275327062 212273177 /nfs/dbraw/zinc/27/31/77/212273177.db2.gz VGIFPPVCTGQWLC-UHFFFAOYSA-N 0 3 315.335 3.445 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000452083895 241312532 /nfs/dbraw/zinc/31/25/32/241312532.db2.gz UPCVKHXCPFSUKL-IIDMSEBBSA-N 0 3 307.482 3.187 20 30 DGEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271795008 209222022 /nfs/dbraw/zinc/22/20/22/209222022.db2.gz IXZYJJABLBEDBH-AWEZNQCLSA-N 0 3 322.383 3.047 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000455310811 242164593 /nfs/dbraw/zinc/16/45/93/242164593.db2.gz MYBXXKVYSUXBKG-KRWDZBQOSA-N 0 3 301.434 3.089 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000268632239 432113614 /nfs/dbraw/zinc/11/36/14/432113614.db2.gz KVZSYQOMFJUIHL-YOEHRIQHSA-N 0 3 305.418 3.168 20 30 DGEDHN C=CCCCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000268648267 432114364 /nfs/dbraw/zinc/11/43/64/432114364.db2.gz IYKGKVJUUUDJDA-UHFFFAOYSA-N 0 3 316.445 3.186 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000458782681 243156273 /nfs/dbraw/zinc/15/62/73/243156273.db2.gz UZLYMXPBIIMUHW-RDJZCZTQSA-N 0 3 303.450 3.252 20 30 DGEDHN C=C(Cl)CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000268684656 432119232 /nfs/dbraw/zinc/11/92/32/432119232.db2.gz PJRPIXAIRRWKCT-UHFFFAOYSA-N 0 3 307.869 3.059 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469440400 244106083 /nfs/dbraw/zinc/10/60/83/244106083.db2.gz IDQFOFGKZJRPIB-GOSISDBHSA-N 0 3 317.477 3.361 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470167019 244151301 /nfs/dbraw/zinc/15/13/01/244151301.db2.gz KFWBMUFOUTWIMM-RBUKOAKNSA-N 0 3 312.457 3.479 20 30 DGEDHN C[C@@]1(CO)CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000472624706 244311620 /nfs/dbraw/zinc/31/16/20/244311620.db2.gz RQLXBOAFILJCCT-CVEARBPZSA-N 0 3 311.347 3.198 20 30 DGEDHN CC(C)CN(CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C ZINC000474229477 244379251 /nfs/dbraw/zinc/37/92/51/244379251.db2.gz WHDXZDRPDVUEIQ-UHFFFAOYSA-N 0 3 307.482 3.333 20 30 DGEDHN Cn1cc(CNCc2cccc(C#N)c2)c(-c2cccs2)n1 ZINC000093947527 193331427 /nfs/dbraw/zinc/33/14/27/193331427.db2.gz TYXCCRHOBBZMGL-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(C#N)c(C)c2)cc1 ZINC000487917609 245122248 /nfs/dbraw/zinc/12/22/48/245122248.db2.gz XWMIMUZOOBZTLX-LJQANCHMSA-N 0 3 310.397 3.041 20 30 DGEDHN CO[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1OC ZINC000488040815 245138484 /nfs/dbraw/zinc/13/84/84/245138484.db2.gz FDSYNPSKKUJRPA-BGYRXZFFSA-N 0 3 322.408 3.071 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488750545 245228558 /nfs/dbraw/zinc/22/85/58/245228558.db2.gz NWTLONJIFWUHSQ-CQSZACIVSA-N 0 3 311.429 3.071 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H](O)c2ccc(C)cc2)cc1 ZINC000264998079 204330890 /nfs/dbraw/zinc/33/08/90/204330890.db2.gz YWTXXCVDOGTCEI-FQEVSTJZSA-N 0 3 309.409 3.220 20 30 DGEDHN COc1cc(CN(C)[C@H](CCO)c2ccccc2)ccc1C#N ZINC000282490984 217036680 /nfs/dbraw/zinc/03/66/80/217036680.db2.gz XMTXEDLDJWVTGJ-GOSISDBHSA-N 0 3 310.397 3.122 20 30 DGEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000288381513 220122142 /nfs/dbraw/zinc/12/21/42/220122142.db2.gz GBPVQLUWLNWAHB-KDOFPFPSSA-N 0 3 311.454 3.372 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)[C@H]1CCCc2c1cnn2C ZINC000135595627 432128950 /nfs/dbraw/zinc/12/89/50/432128950.db2.gz FHGUCHIYMMGCRV-SFHVURJKSA-N 0 3 324.428 3.070 20 30 DGEDHN C=C(C)CN1CCC(Nc2cncc(Br)c2)CC1 ZINC000266457582 205361409 /nfs/dbraw/zinc/36/14/09/205361409.db2.gz YDOPBEVJRPHYSJ-UHFFFAOYSA-N 0 3 310.239 3.297 20 30 DGEDHN CCCC(=O)NC[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246451936 432131865 /nfs/dbraw/zinc/13/18/65/432131865.db2.gz VPTXVXKLFOJCRE-NVXWUHKLSA-N 0 3 313.445 3.248 20 30 DGEDHN Cc1ccc(C#N)c(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000160228216 197394269 /nfs/dbraw/zinc/39/42/69/197394269.db2.gz FROXNZGKKOIHTG-KBXCAEBGSA-N 0 3 306.413 3.194 20 30 DGEDHN Cc1ccccc1CN1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000267377735 206023350 /nfs/dbraw/zinc/02/33/50/206023350.db2.gz KZYBXWYTWNCGOU-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(C#N)cc1F ZINC000134796864 284451966 /nfs/dbraw/zinc/45/19/66/284451966.db2.gz AKJLPXONOGPBQG-WPUCRFQZSA-N 0 3 300.377 3.306 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCN(CCC(C)(C)C#N)CC1 ZINC000494418591 246144402 /nfs/dbraw/zinc/14/44/02/246144402.db2.gz PMKQJHYMJOLDGA-UHFFFAOYSA-N 0 3 309.454 3.258 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1cncc(F)c1 ZINC000494579694 246166357 /nfs/dbraw/zinc/16/63/57/246166357.db2.gz NVLXDPDMWBUVPO-UHFFFAOYSA-N 0 3 301.390 3.115 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC[C@H](OCC3CC3)C2)c1 ZINC000494707035 246184367 /nfs/dbraw/zinc/18/43/67/246184367.db2.gz FFKHYDWICJUVMZ-IBGZPJMESA-N 0 3 314.429 3.218 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccccc1F)C(C)C ZINC000496013059 246341075 /nfs/dbraw/zinc/34/10/75/246341075.db2.gz GQCXDRUBDOPOCQ-SFHVURJKSA-N 0 3 318.436 3.183 20 30 DGEDHN C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000496157705 246359727 /nfs/dbraw/zinc/35/97/27/246359727.db2.gz IXYSEWRLQJMVMZ-KBPBESRZSA-N 0 3 307.438 3.058 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCN1CCc2ccccc2C1 ZINC000190325320 432143645 /nfs/dbraw/zinc/14/36/45/432143645.db2.gz DSXSZAWHHJSGKC-IBGZPJMESA-N 0 3 300.446 3.153 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC=C(c3ccccc3)C2)cc1 ZINC000284766880 218169100 /nfs/dbraw/zinc/16/91/00/218169100.db2.gz MUPXJYBCBSVRKZ-HXUWFJFHSA-N 0 3 304.393 3.381 20 30 DGEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000106488568 194218541 /nfs/dbraw/zinc/21/85/41/194218541.db2.gz IZIFEWGWBLFLKU-INIZCTEOSA-N 0 3 313.351 3.205 20 30 DGEDHN CNC(=O)CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359901297 269695792 /nfs/dbraw/zinc/69/57/92/269695792.db2.gz ZVESYOPPXVHYLQ-CQSZACIVSA-N 0 3 307.397 3.012 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@@](C)(O)c2cccs2)cc1 ZINC000268997051 207153454 /nfs/dbraw/zinc/15/34/54/207153454.db2.gz NVLVNZFBOHECTO-KBXCAEBGSA-N 0 3 315.438 3.318 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000058453662 184119441 /nfs/dbraw/zinc/11/94/41/184119441.db2.gz WCOSGOFJGORVNR-SFHVURJKSA-N 0 3 322.412 3.291 20 30 DGEDHN CC(C)(C#N)CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000157907271 197225419 /nfs/dbraw/zinc/22/54/19/197225419.db2.gz IYHFRRGTDTTWFD-UHFFFAOYSA-N 0 3 317.408 3.416 20 30 DGEDHN N#Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000060553079 184151943 /nfs/dbraw/zinc/15/19/43/184151943.db2.gz GVEMLDZOCKXREP-UHFFFAOYSA-N 0 3 319.408 3.084 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCCCC2(C)C)c(C#N)c1C ZINC000119818483 195042976 /nfs/dbraw/zinc/04/29/76/195042976.db2.gz QQCQYKUJRMMNNX-CQSZACIVSA-N 0 3 303.406 3.265 20 30 DGEDHN COc1ccccc1[C@H](CN[C@@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442636929 533014576 /nfs/dbraw/zinc/01/45/76/533014576.db2.gz VLMUWIJUNIFAET-JZXOWHBKSA-N 0 3 313.445 3.114 20 30 DGEDHN CCN(CC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@H]1C ZINC000249431662 285073693 /nfs/dbraw/zinc/07/36/93/285073693.db2.gz ZHEDGKXWKJBOQU-TZMCWYRMSA-N 0 3 305.447 3.459 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249409930 285072958 /nfs/dbraw/zinc/07/29/58/285072958.db2.gz XTSRVJWLMVLOBC-RHSMWYFYSA-N 0 3 321.428 3.037 20 30 DGEDHN COc1ccc(O[C@H](C)CNCc2ccc(C#N)c(C)c2)cc1 ZINC000444003174 533035015 /nfs/dbraw/zinc/03/50/15/533035015.db2.gz MEBZROJVZUSWBY-OAHLLOKOSA-N 0 3 310.397 3.432 20 30 DGEDHN C=CCCC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCCN1CC ZINC000270186797 208248019 /nfs/dbraw/zinc/24/80/19/208248019.db2.gz DKFGIPMMSCGMDJ-QGZVFWFLSA-N 0 3 316.445 3.171 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1COc2ccccc2O1 ZINC000250199016 285092773 /nfs/dbraw/zinc/09/27/73/285092773.db2.gz BHBXNCAMITUPKH-PBHICJAKSA-N 0 3 308.381 3.391 20 30 DGEDHN COCC1(C#N)CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000341999848 533110977 /nfs/dbraw/zinc/11/09/77/533110977.db2.gz YNPANPYKLYECAJ-INIZCTEOSA-N 0 3 306.450 3.120 20 30 DGEDHN N#Cc1ccc(CNCCc2cnn(-c3ccccc3)c2)c(F)c1 ZINC000343152354 254106808 /nfs/dbraw/zinc/10/68/08/254106808.db2.gz VSMPNVYEAAVNFW-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN CC[C@@H](CNCc1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000343192689 254112221 /nfs/dbraw/zinc/11/22/21/254112221.db2.gz OFFQXZACPCRAAI-KRWDZBQOSA-N 0 3 309.413 3.078 20 30 DGEDHN Cc1cc(CN[C@@H]2CCO[C@H]2c2ccnn2C(C)C)ccc1C#N ZINC000343384860 254135396 /nfs/dbraw/zinc/13/53/96/254135396.db2.gz KAMSFQJKDIYQHO-IEBWSBKVSA-N 0 3 324.428 3.264 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000343620205 254168783 /nfs/dbraw/zinc/16/87/83/254168783.db2.gz MCWZCUJARNMNRQ-NSHDSACASA-N 0 3 311.410 3.355 20 30 DGEDHN COc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000344075132 254221329 /nfs/dbraw/zinc/22/13/29/254221329.db2.gz RODIAUWICGKOPU-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN N#Cc1ccc(CNCCOc2ccc(F)c(F)c2)c(F)c1 ZINC000344175329 254235557 /nfs/dbraw/zinc/23/55/57/254235557.db2.gz ZWWORVPFSPMPLW-UHFFFAOYSA-N 0 3 306.287 3.144 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000344370951 254263053 /nfs/dbraw/zinc/26/30/53/254263053.db2.gz ONSKEWZIFXTEMD-OAHLLOKOSA-N 0 3 311.404 3.307 20 30 DGEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000271583679 209034236 /nfs/dbraw/zinc/03/42/36/209034236.db2.gz VRVPBHCWSBWCGB-SJCJKPOMSA-N 0 3 316.426 3.494 20 30 DGEDHN CCn1cc([C@@H](C)NC2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000294915174 224306714 /nfs/dbraw/zinc/30/67/14/224306714.db2.gz SPLVVPNFGXZUAL-OAHLLOKOSA-N 0 3 323.444 3.094 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)s1)Cc1ccc(C#N)cc1 ZINC000289804343 221237756 /nfs/dbraw/zinc/23/77/56/221237756.db2.gz MZFYSWKOPBRHLM-UHFFFAOYSA-N 0 3 324.453 3.055 20 30 DGEDHN C=C(C)CCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000454842745 533488875 /nfs/dbraw/zinc/48/88/75/533488875.db2.gz SKYLEMAJINIKBQ-UHFFFAOYSA-N 0 3 305.422 3.023 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000295662000 533496250 /nfs/dbraw/zinc/49/62/50/533496250.db2.gz AWYZDVRJLCFYDW-JQHSSLGASA-N 0 3 312.413 3.004 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)N(C)CCC#N ZINC000184375156 533501452 /nfs/dbraw/zinc/50/14/52/533501452.db2.gz ZQMSDURDCOCAPS-QWHCGFSZSA-N 0 3 315.442 3.312 20 30 DGEDHN COc1ccc(CNCC(C)(C)CCC#N)c(OC)c1OC ZINC000174280219 533658719 /nfs/dbraw/zinc/65/87/19/533658719.db2.gz VXUFZXHZZHCKJQ-UHFFFAOYSA-N 0 3 306.406 3.132 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600523748 400087234 /nfs/dbraw/zinc/08/72/34/400087234.db2.gz VAMRJOZUWOGRHY-LKFCYVNXSA-N 0 3 301.777 3.475 20 30 DGEDHN COc1ccc([C@H](C)NCCc2ccc(C#N)cc2)c(OC)c1 ZINC000595059920 400094423 /nfs/dbraw/zinc/09/44/23/400094423.db2.gz IPYTUWAMLVNXPM-AWEZNQCLSA-N 0 3 310.397 3.469 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N2CCCN(CC)CC2)c1 ZINC000091174035 400101454 /nfs/dbraw/zinc/10/14/54/400101454.db2.gz NDRPZLFVKXMPLQ-UHFFFAOYSA-N 0 3 317.433 3.201 20 30 DGEDHN CC(C)[C@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CCCC2 ZINC000584840280 400112619 /nfs/dbraw/zinc/11/26/19/400112619.db2.gz UZYYWMFDMQHGPG-MRXNPFEDSA-N 0 3 309.417 3.002 20 30 DGEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1F ZINC000595255453 400114794 /nfs/dbraw/zinc/11/47/94/400114794.db2.gz XUTZAYKMNMAQBO-CVEARBPZSA-N 0 3 305.397 3.050 20 30 DGEDHN C=CCC[C@H](NC[C@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000581717223 400082254 /nfs/dbraw/zinc/08/22/54/400082254.db2.gz IAIBNRJNJJOMBU-RDJZCZTQSA-N 0 3 319.376 3.456 20 30 DGEDHN CC(C)c1ccc(CNC[C@@H](O)COc2ccccc2C#N)cc1 ZINC000324336095 400179600 /nfs/dbraw/zinc/17/96/00/400179600.db2.gz LKHSDPJKFGOCLY-LJQANCHMSA-N 0 3 324.424 3.211 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000609631692 400182884 /nfs/dbraw/zinc/18/28/84/400182884.db2.gz OFFLJSBHZKBKSC-ZTFGCOKTSA-N 0 3 311.429 3.397 20 30 DGEDHN Cc1cccc(CCN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000584879773 400119712 /nfs/dbraw/zinc/11/97/12/400119712.db2.gz USNMFYQEFKCKHK-UHFFFAOYSA-N 0 3 305.425 3.490 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](OC)C1CCCC1 ZINC000595296827 400121859 /nfs/dbraw/zinc/12/18/59/400121859.db2.gz LNMUGECVEWQTSK-LJQANCHMSA-N 0 3 316.445 3.212 20 30 DGEDHN C[C@H]1C[C@@H](Nc2cnccc2C#N)CCN1Cc1ccccc1 ZINC000091734709 400135484 /nfs/dbraw/zinc/13/54/84/400135484.db2.gz IKYHFSSUEBCARA-YJBOKZPZSA-N 0 3 306.413 3.418 20 30 DGEDHN CC(C)[C@H](C#N)N1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000595398462 400140919 /nfs/dbraw/zinc/14/09/19/400140919.db2.gz PTDKMRWJNHLECP-QUCCMNQESA-N 0 3 311.473 3.272 20 30 DGEDHN CC(C)[C@@H](C#N)N1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000595398463 400141593 /nfs/dbraw/zinc/14/15/93/400141593.db2.gz PTDKMRWJNHLECP-UYAOXDASSA-N 0 3 311.473 3.272 20 30 DGEDHN CC(C)(CNC(=O)NCC1(C#N)CCCCC1)N1CCCCC1 ZINC000595427968 400147349 /nfs/dbraw/zinc/14/73/49/400147349.db2.gz VLJLEMLUEBAVJL-UHFFFAOYSA-N 0 3 320.481 3.024 20 30 DGEDHN N#Cc1ccc(OCCN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000609233744 400153052 /nfs/dbraw/zinc/15/30/52/400153052.db2.gz IEZJMJJHWLVYPE-FQEVSTJZSA-N 0 3 322.408 3.401 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000586773398 400153450 /nfs/dbraw/zinc/15/34/50/400153450.db2.gz POTKJWYGRHEYAN-UHFFFAOYSA-N 0 3 309.369 3.449 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC4(CCC4)CC3)C2=O)cc1 ZINC000586783327 400156058 /nfs/dbraw/zinc/15/60/58/400156058.db2.gz CHBGMRMMIJUBOO-SFHVURJKSA-N 0 3 323.440 3.320 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](CC(C)C)c2ccccc2C)C1=O ZINC000337180396 400188202 /nfs/dbraw/zinc/18/82/02/400188202.db2.gz LVVNQIRQPWGZFN-ZWKOTPCHSA-N 0 3 300.446 3.459 20 30 DGEDHN CC[C@@H](C)N(CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595496275 400167715 /nfs/dbraw/zinc/16/77/15/400167715.db2.gz GALZNQCKMSUBON-LLVKDONJSA-N 0 3 300.324 3.170 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCCN(c3cccc(F)c3F)CC2)C1 ZINC000595504099 400170524 /nfs/dbraw/zinc/17/05/24/400170524.db2.gz FCLMHXMHCNKHPD-UONOGXRCSA-N 0 3 305.372 3.169 20 30 DGEDHN N#Cc1cccc(C2(NCCOc3ccccc3)CCOCC2)c1 ZINC000595775767 400255628 /nfs/dbraw/zinc/25/56/28/400255628.db2.gz YAEJIYJYWTZLDZ-UHFFFAOYSA-N 0 3 322.408 3.233 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1cccs1 ZINC000068047347 400227494 /nfs/dbraw/zinc/22/74/94/400227494.db2.gz HNNABNNMNKUZGM-MRXNPFEDSA-N 0 3 317.454 3.348 20 30 DGEDHN N#CCCCCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000588883947 400237361 /nfs/dbraw/zinc/23/73/61/400237361.db2.gz RSWJNVOUHSAPQF-QGZVFWFLSA-N 0 3 311.429 3.472 20 30 DGEDHN C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000093303541 400237997 /nfs/dbraw/zinc/23/79/97/400237997.db2.gz BTDOUPZFESWXJD-OAHLLOKOSA-N 0 3 312.388 3.470 20 30 DGEDHN COc1cc(F)cc(OC)c1CNCC1CCC(C#N)CC1 ZINC000601119366 400239679 /nfs/dbraw/zinc/23/96/79/400239679.db2.gz RCQYWUQILKNZGE-UHFFFAOYSA-N 0 3 306.381 3.262 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000595735128 400245113 /nfs/dbraw/zinc/24/51/13/400245113.db2.gz SRLITUZNJBNFNR-KURKYZTESA-N 0 3 312.413 3.112 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000595735127 400245278 /nfs/dbraw/zinc/24/52/78/400245278.db2.gz SRLITUZNJBNFNR-KSZLIROESA-N 0 3 312.413 3.112 20 30 DGEDHN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000595731608 400245653 /nfs/dbraw/zinc/24/56/53/400245653.db2.gz MNWGPAPJLJUAJQ-OTWHNJEPSA-N 0 3 311.425 3.092 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000595735129 400246219 /nfs/dbraw/zinc/24/62/19/400246219.db2.gz SRLITUZNJBNFNR-KZNAEPCWSA-N 0 3 312.413 3.112 20 30 DGEDHN C=CCC1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000595780300 400256854 /nfs/dbraw/zinc/25/68/54/400256854.db2.gz QNUWTPQUDNAABE-UHFFFAOYSA-N 0 3 317.389 3.320 20 30 DGEDHN N#Cc1cccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595746506 400248858 /nfs/dbraw/zinc/24/88/58/400248858.db2.gz ADPYPFOOHODZAM-VQTJNVASSA-N 0 3 306.409 3.156 20 30 DGEDHN CCC1(CO)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093591784 400250181 /nfs/dbraw/zinc/25/01/81/400250181.db2.gz QQJRUXAFVHLIPW-UHFFFAOYSA-N 0 3 316.445 3.354 20 30 DGEDHN CN(CCCOc1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000588978974 400252718 /nfs/dbraw/zinc/25/27/18/400252718.db2.gz IKUGHWNJCKEDBL-UHFFFAOYSA-N 0 3 324.424 3.476 20 30 DGEDHN C=CCN(Cc1cc(C(=O)OC)cc(C(=O)OC)c1)C(C)(C)C ZINC000595764833 400253243 /nfs/dbraw/zinc/25/32/43/400253243.db2.gz DRKNMEPTOWPBPL-UHFFFAOYSA-N 0 3 319.401 3.046 20 30 DGEDHN Cn1cc(CN2C[C@@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000595565602 400191205 /nfs/dbraw/zinc/19/12/05/400191205.db2.gz BQFXSORIRNXNET-WMZOPIPTSA-N 0 3 306.413 3.333 20 30 DGEDHN CCOc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609841121 400195574 /nfs/dbraw/zinc/19/55/74/400195574.db2.gz BGCCGTWSOIIUAP-KSSFIOAISA-N 0 3 308.381 3.451 20 30 DGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN(C)C1CCC1 ZINC000610392450 400253846 /nfs/dbraw/zinc/25/38/46/400253846.db2.gz JMGRFCFTNRIIML-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN Cc1cccc(C)c1[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000595599776 400198518 /nfs/dbraw/zinc/19/85/18/400198518.db2.gz CDXKQYBQGDICKZ-MRXNPFEDSA-N 0 3 311.429 3.003 20 30 DGEDHN Cc1ccc(CCN2CCN(c3ccccc3C#N)CC2)cc1 ZINC000609894380 400199968 /nfs/dbraw/zinc/19/99/68/400199968.db2.gz AJOSAWQLFYWGSL-UHFFFAOYSA-N 0 3 305.425 3.231 20 30 DGEDHN Cc1ccc(C)c(Oc2ccc(CNC(=O)C(C)C#N)cn2)c1 ZINC000609920156 400202796 /nfs/dbraw/zinc/20/27/96/400202796.db2.gz OEYHETLZMXEAMZ-CQSZACIVSA-N 0 3 309.369 3.267 20 30 DGEDHN Oc1cccc(/C=N/C[C@@H](c2ccccc2)N2CCCC2)c1O ZINC000022769546 400204723 /nfs/dbraw/zinc/20/47/23/400204723.db2.gz KVHBBYLVECLYSD-NNIWKIFQSA-N 0 3 310.397 3.354 20 30 DGEDHN CN1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000023188021 400207416 /nfs/dbraw/zinc/20/74/16/400207416.db2.gz MKKNQAUWPHGFAA-UHFFFAOYSA-N 0 3 319.408 3.049 20 30 DGEDHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000595621808 400209711 /nfs/dbraw/zinc/20/97/11/400209711.db2.gz YYBRPSBBSSIRCA-CABCVRRESA-N 0 3 322.836 3.014 20 30 DGEDHN Cn1ccnc1COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595619577 400209906 /nfs/dbraw/zinc/20/99/06/400209906.db2.gz DLUIRWRULIJMGA-INIZCTEOSA-N 0 3 324.428 3.125 20 30 DGEDHN Cc1ccc([C@@H](CNC(=O)CCCCCC#N)N(C)C)cc1 ZINC000588326786 400210869 /nfs/dbraw/zinc/21/08/69/400210869.db2.gz UIPIMDMYAOTUTF-QGZVFWFLSA-N 0 3 301.434 3.188 20 30 DGEDHN C=CCCCCCN(C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000610079916 400212610 /nfs/dbraw/zinc/21/26/10/400212610.db2.gz WTWANSZKAOWJQV-JKSUJKDBSA-N 0 3 323.481 3.069 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](C)C[C@H]2C)c1 ZINC000610133340 400216171 /nfs/dbraw/zinc/21/61/71/400216171.db2.gz HUSUXTTZRNFMQI-IAGOWNOFSA-N 0 3 313.445 3.280 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC2(CCCC2)CC1 ZINC000595641211 400216463 /nfs/dbraw/zinc/21/64/63/400216463.db2.gz FHYJSOONQOBJEQ-INIZCTEOSA-N 0 3 305.466 3.041 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000595791768 400262851 /nfs/dbraw/zinc/26/28/51/400262851.db2.gz WLFOHBYYNGIQST-WMZOPIPTSA-N 0 3 302.393 3.478 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[C@@H]2C)CC1 ZINC000106274876 400326149 /nfs/dbraw/zinc/32/61/49/400326149.db2.gz OTAWVUAIYIMQMK-JKSUJKDBSA-N 0 3 307.482 3.152 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC(c3ccon3)CC2)c1 ZINC000595827615 400272444 /nfs/dbraw/zinc/27/24/44/400272444.db2.gz DPLKKPHJSUWDJR-UHFFFAOYSA-N 0 3 311.385 3.195 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595845936 400281263 /nfs/dbraw/zinc/28/12/63/400281263.db2.gz XKIGJDCQRNRGAS-OKILXGFUSA-N 0 3 318.373 3.165 20 30 DGEDHN N#CC[C@H]1CCCN(CCOc2ccc(Br)cc2)C1 ZINC000397847911 400286710 /nfs/dbraw/zinc/28/67/10/400286710.db2.gz QWLPTQWKOXOMSS-CYBMUJFWSA-N 0 3 323.234 3.454 20 30 DGEDHN COc1cccc2c1OC[C@@H](N[C@H]1CCc3ccc(C#N)cc31)C2 ZINC000589338775 400289727 /nfs/dbraw/zinc/28/97/27/400289727.db2.gz COVHCLIYSWUNCB-WMZOPIPTSA-N 0 3 320.392 3.147 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CC1(C)C ZINC000595911576 400293442 /nfs/dbraw/zinc/29/34/42/400293442.db2.gz YQLKKLBUMUAXOE-HOTGVXAUSA-N 0 3 313.445 3.300 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CC1(C)C ZINC000595911577 400293456 /nfs/dbraw/zinc/29/34/56/400293456.db2.gz YQLKKLBUMUAXOE-HZPDHXFCSA-N 0 3 313.445 3.300 20 30 DGEDHN CSc1ccc([C@@H](CNC[C@H](C#N)CCC#N)N(C)C)cc1 ZINC000578064531 400324929 /nfs/dbraw/zinc/32/49/29/400324929.db2.gz JEVHJCOSRBYCMX-WMLDXEAASA-N 0 3 316.474 3.044 20 30 DGEDHN C[C@@H](CNc1nc2ncccc2cc1C#N)N1CCC[C@@H](C)C1 ZINC000596079085 400311034 /nfs/dbraw/zinc/31/10/34/400311034.db2.gz YGVVUKHMQLSHEJ-KGLIPLIRSA-N 0 3 309.417 3.034 20 30 DGEDHN Cc1cc(NCCN(C)Cc2ccccc2)cc(C#N)c1[N+](=O)[O-] ZINC000596090624 400314098 /nfs/dbraw/zinc/31/40/98/400314098.db2.gz ZJNFQDSUZUAXKZ-UHFFFAOYSA-N 0 3 324.384 3.319 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)c3ccccc32)CC1 ZINC000106341166 400326401 /nfs/dbraw/zinc/32/64/01/400326401.db2.gz SEAROCRFQZTIQT-HNNXBMFYSA-N 0 3 313.445 3.360 20 30 DGEDHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000030532529 400327855 /nfs/dbraw/zinc/32/78/55/400327855.db2.gz MZEPVGYDSHZJFF-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1ccc(C#N)nc1N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000596144769 400329107 /nfs/dbraw/zinc/32/91/07/400329107.db2.gz NCTSBJZGIZGJAG-KRWDZBQOSA-N 0 3 320.440 3.363 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000072578368 400390975 /nfs/dbraw/zinc/39/09/75/400390975.db2.gz PICZSRBNPYDCMQ-KRWDZBQOSA-N 0 3 308.385 3.052 20 30 DGEDHN C[C@H](C1CC1)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000031654339 400350599 /nfs/dbraw/zinc/35/05/99/400350599.db2.gz YAPYBRUYUJFKTH-LLVKDONJSA-N 0 3 317.820 3.413 20 30 DGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1CCC1 ZINC000111298732 400362689 /nfs/dbraw/zinc/36/26/89/400362689.db2.gz BACNENSEEUFEEL-NSHDSACASA-N 0 3 317.458 3.167 20 30 DGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590159554 400364149 /nfs/dbraw/zinc/36/41/49/400364149.db2.gz DRAPAOAQVAHHLA-NZSAHSFTSA-N 0 3 317.477 3.182 20 30 DGEDHN N#Cc1cnnc(S[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000596275585 400368947 /nfs/dbraw/zinc/36/89/47/400368947.db2.gz WAJSSZYRVMQTBG-INIZCTEOSA-N 0 3 310.426 3.105 20 30 DGEDHN N#Cc1cnc(N[C@@H]2CCN(C3CCCCC3)C2)c(Cl)c1 ZINC000596477213 400424710 /nfs/dbraw/zinc/42/47/10/400424710.db2.gz HIPIZQYIVCBHOR-CYBMUJFWSA-N 0 3 304.825 3.426 20 30 DGEDHN CN(CC(=O)N[C@@H](CCC#N)c1ccccc1)CC(C)(C)C ZINC000602128576 400416931 /nfs/dbraw/zinc/41/69/31/400416931.db2.gz KSJSCKXJADXWKU-INIZCTEOSA-N 0 3 301.434 3.126 20 30 DGEDHN N#CC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000041952564 400418138 /nfs/dbraw/zinc/41/81/38/400418138.db2.gz MEROUOKWLRNLFQ-QGZVFWFLSA-N 0 3 311.429 3.024 20 30 DGEDHN N#Cc1ccccc1OC1CCC(N[C@H]2CCn3ccnc32)CC1 ZINC000590778087 400433615 /nfs/dbraw/zinc/43/36/15/400433615.db2.gz IAFCLKADGMNCHU-JCYILVPMSA-N 0 3 322.412 3.179 20 30 DGEDHN CC1(C)Cc2n[nH]cc2CN(CCCOc2cccc(C#N)c2)C1 ZINC000596598098 400454354 /nfs/dbraw/zinc/45/43/54/400454354.db2.gz BABAGAIYSUZRPQ-UHFFFAOYSA-N 0 3 324.428 3.135 20 30 DGEDHN CC(C)[C@H](NC[C@@H](C)CCC#N)c1nc(-c2ccncc2)no1 ZINC000602595551 400507308 /nfs/dbraw/zinc/50/73/08/400507308.db2.gz YQXVYPSJACFXDS-ZFWWWQNUSA-N 0 3 313.405 3.358 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C)C1 ZINC000123015884 400465826 /nfs/dbraw/zinc/46/58/26/400465826.db2.gz FNVFBDUMJDQZME-OLZOCXBDSA-N 0 3 319.836 3.062 20 30 DGEDHN COCCN(CCCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602452944 400466843 /nfs/dbraw/zinc/46/68/43/400466843.db2.gz XBCRJNMXQXZOGM-UHFFFAOYSA-N 0 3 309.413 3.034 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)[C@@H]1SC ZINC000590964551 400470545 /nfs/dbraw/zinc/47/05/45/400470545.db2.gz IWQBNMXCVMIAQD-ZNMIVQPWSA-N 0 3 310.850 3.210 20 30 DGEDHN CCN(Cc1cccc(C#N)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602615403 400511854 /nfs/dbraw/zinc/51/18/54/400511854.db2.gz GMAMNRLOHXQWFS-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN N#CC1(CCN2CCCN(C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000591011299 400476283 /nfs/dbraw/zinc/47/62/83/400476283.db2.gz CPPGUHJVVQAHSD-SFHVURJKSA-N 0 3 319.493 3.037 20 30 DGEDHN COc1cccc(NC(=O)CCN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000591023146 400477032 /nfs/dbraw/zinc/47/70/32/400477032.db2.gz ZXFQFTLPAJGGQT-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN Cc1nccc([C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1 ZINC000612061180 400481987 /nfs/dbraw/zinc/48/19/87/400481987.db2.gz SYVHLFHQAXJMSQ-GOSISDBHSA-N 0 3 306.413 3.231 20 30 DGEDHN N#Cc1cccc(CN[C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000602534691 400490734 /nfs/dbraw/zinc/49/07/34/400490734.db2.gz JHBAWYWFVIUQRS-FQEVSTJZSA-N 0 3 320.440 3.270 20 30 DGEDHN N#Cc1cnc(NC[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000591141723 400492236 /nfs/dbraw/zinc/49/22/36/400492236.db2.gz KMYIARCHMIEWDV-MRXNPFEDSA-N 0 3 324.403 3.416 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H](CCCO)c1ccccc1 ZINC000602551308 400495010 /nfs/dbraw/zinc/49/50/10/400495010.db2.gz IAXPTMMCTLGYOI-AEFFLSMTSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617975756 400495508 /nfs/dbraw/zinc/49/55/08/400495508.db2.gz CNRGKNAFTINDDV-IBGZPJMESA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618354097 400572610 /nfs/dbraw/zinc/57/26/10/400572610.db2.gz UFSCCSIPVYPEBZ-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN CN(c1ccc(C#N)cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074775111 400534904 /nfs/dbraw/zinc/53/49/04/400534904.db2.gz JZIGAXKZSJKIQO-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1sc(NC(=O)[C@H](N)CCCC#N)nc1-c1ccccc1 ZINC000591591108 400543601 /nfs/dbraw/zinc/54/36/01/400543601.db2.gz FZPDGEBFWJQDFG-CYBMUJFWSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1cc(CN2CC[C@H](OCc3ccccn3)C2)ccc1C#N ZINC000602716041 400549847 /nfs/dbraw/zinc/54/98/47/400549847.db2.gz QTDFZWDILQKRBP-IBGZPJMESA-N 0 3 307.397 3.053 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)CCc2ccccc2)cc1Cl ZINC000591765702 400554823 /nfs/dbraw/zinc/55/48/23/400554823.db2.gz BFUZLSJRJHPCLS-KRWDZBQOSA-N 0 3 314.816 3.295 20 30 DGEDHN CCN(Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1)C1CC1 ZINC000591796692 400556895 /nfs/dbraw/zinc/55/68/95/400556895.db2.gz YSSFJGRPPBMDNU-DOTOQJQBSA-N 0 3 311.429 3.093 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000592327988 400635157 /nfs/dbraw/zinc/63/51/57/400635157.db2.gz CXTGSMLQYJIQES-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN N#Cc1c(F)cccc1N1CCN(CC2CCCCC2)CC1 ZINC000048041513 400639800 /nfs/dbraw/zinc/63/98/00/400639800.db2.gz AGVUIEVAGJCCFE-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN N#CCC1(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)CC1 ZINC000602822915 400584443 /nfs/dbraw/zinc/58/44/43/400584443.db2.gz GYRGBQBODGYVCW-QGZVFWFLSA-N 0 3 304.821 3.325 20 30 DGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597585968 400648795 /nfs/dbraw/zinc/64/87/95/400648795.db2.gz ZFZSVCDNVFIVFO-OAHLLOKOSA-N 0 3 305.466 3.087 20 30 DGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1 ZINC000597662102 400658111 /nfs/dbraw/zinc/65/81/11/400658111.db2.gz YACBOYJDYBDBJX-CRAIPNDOSA-N 0 3 315.461 3.154 20 30 DGEDHN COc1ccccc1-c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592522590 400664047 /nfs/dbraw/zinc/66/40/47/400664047.db2.gz PGDHERISURQBCR-FQEVSTJZSA-N 0 3 322.408 3.213 20 30 DGEDHN N#Cc1cnn2cc(CN3CCC4(CCCCC4)CC3)cnc12 ZINC000592499217 400659275 /nfs/dbraw/zinc/65/92/75/400659275.db2.gz SYPLPHVQLJFBEE-UHFFFAOYSA-N 0 3 309.417 3.147 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCCC2)CC1 ZINC000158416653 400724072 /nfs/dbraw/zinc/72/40/72/400724072.db2.gz FIOJCNCFUVAGSP-INIZCTEOSA-N 0 3 317.477 3.374 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000604203498 400754401 /nfs/dbraw/zinc/75/44/01/400754401.db2.gz LJTOTESGXNOMTR-MRXNPFEDSA-N 0 3 305.466 3.001 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000603865085 400726809 /nfs/dbraw/zinc/72/68/09/400726809.db2.gz QQIIWQXOVIJACT-KDURUIRLSA-N 0 3 303.409 3.126 20 30 DGEDHN N#CC[C@H]1CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000597905448 400692940 /nfs/dbraw/zinc/69/29/40/400692940.db2.gz ZGNDHOFLOSIVNY-MRXNPFEDSA-N 0 3 311.429 3.048 20 30 DGEDHN C[C@@H](CNc1c(C#N)nnc2ccccc21)N1CCCC[C@H]1C ZINC000077189677 400693523 /nfs/dbraw/zinc/69/35/23/400693523.db2.gz OOOPTHWWRQTOSD-KGLIPLIRSA-N 0 3 309.417 3.176 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618807994 400694320 /nfs/dbraw/zinc/69/43/20/400694320.db2.gz YHEABOCGVOXKMG-WBMJQRKESA-N 0 3 300.402 3.255 20 30 DGEDHN CC(C)CCN(CCC(C)C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052872054 400752449 /nfs/dbraw/zinc/75/24/49/400752449.db2.gz GNWWDYKMTQLWIH-SFHVURJKSA-N 0 3 307.482 3.189 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1cccs1 ZINC000077247200 400702044 /nfs/dbraw/zinc/70/20/44/400702044.db2.gz WSZNRUDIBUKABG-UHFFFAOYSA-N 0 3 302.399 3.139 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000052050623 400716010 /nfs/dbraw/zinc/71/60/10/400716010.db2.gz YUHAMHPZPZTTJB-UMVBOHGHSA-N 0 3 317.458 3.097 20 30 DGEDHN C[C@@]1(C#N)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000598418987 400810013 /nfs/dbraw/zinc/81/00/13/400810013.db2.gz FEKWSYUYARUHBF-IBGZPJMESA-N 0 3 311.429 3.048 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(C)(C)C ZINC000078121379 400771591 /nfs/dbraw/zinc/77/15/91/400771591.db2.gz LEGQVJACUWXZMA-UHFFFAOYSA-N 0 3 315.461 3.275 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000598264828 400771707 /nfs/dbraw/zinc/77/17/07/400771707.db2.gz QVFXKDHQPOKHMG-ZDUSSCGKSA-N 0 3 319.836 3.062 20 30 DGEDHN CN(CCN1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000593137071 400773083 /nfs/dbraw/zinc/77/30/83/400773083.db2.gz PXSYPCNIPICHRM-UHFFFAOYSA-N 0 3 320.824 3.161 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@]1(CO)CCCc2ccccc21 ZINC000619654023 400878093 /nfs/dbraw/zinc/87/80/93/400878093.db2.gz ZRIOBHROSFLEPN-FQEVSTJZSA-N 0 3 306.409 3.180 20 30 DGEDHN C=CCC[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000180040673 400881920 /nfs/dbraw/zinc/88/19/20/400881920.db2.gz NYRUZNTTYPUIOT-SFHVURJKSA-N 0 3 319.408 3.492 20 30 DGEDHN CC1CCC(OC2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588806 400837044 /nfs/dbraw/zinc/83/70/44/400837044.db2.gz OHLAABHKGKHFMK-CGZBRXJRSA-N 0 3 322.493 3.347 20 30 DGEDHN CCOc1ccccc1[C@@H](CC)NC[C@H](O)CC(C)(C)C#N ZINC000598602404 400841315 /nfs/dbraw/zinc/84/13/15/400841315.db2.gz NRCOXZWPZGIQMG-GDBMZVCRSA-N 0 3 304.434 3.427 20 30 DGEDHN C=C(C)[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598608187 400842433 /nfs/dbraw/zinc/84/24/33/400842433.db2.gz LUVDROFDCKDKTR-BBRMVZONSA-N 0 3 308.372 3.472 20 30 DGEDHN CC(C)c1cccc2c1CCN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598618975 400843857 /nfs/dbraw/zinc/84/38/57/400843857.db2.gz XWQHEHQNWCMYPW-MRXNPFEDSA-N 0 3 300.446 3.469 20 30 DGEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCc2ccc(F)cc21 ZINC000598622935 400845525 /nfs/dbraw/zinc/84/55/25/400845525.db2.gz PJZNLFTZTZWOFY-CJNGLKHVSA-N 0 3 304.409 3.088 20 30 DGEDHN CC(C)C1(c2ccccc2)CN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598706761 400862205 /nfs/dbraw/zinc/86/22/05/400862205.db2.gz VFROEAUFKIPXPD-KRWDZBQOSA-N 0 3 300.446 3.197 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(Cl)cc(Cl)c1 ZINC000598705735 400862248 /nfs/dbraw/zinc/86/22/48/400862248.db2.gz MXLMMUMVMAQCDX-CYBMUJFWSA-N 0 3 301.217 3.384 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1OC1CCC1 ZINC000598721645 400865194 /nfs/dbraw/zinc/86/51/94/400865194.db2.gz WSKGAVDUGAVFIN-OAHLLOKOSA-N 0 3 302.418 3.008 20 30 DGEDHN Cc1cccc2c1C[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CO2 ZINC000599063848 400945178 /nfs/dbraw/zinc/94/51/78/400945178.db2.gz JRDGDWCZHLWRRU-APWZRJJASA-N 0 3 304.393 3.447 20 30 DGEDHN C[C@@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(C#N)cc1F ZINC000599067228 400948416 /nfs/dbraw/zinc/94/84/16/400948416.db2.gz YWLVFSIUEFTXGJ-YPMHNXCESA-N 0 3 311.351 3.077 20 30 DGEDHN C=CCCC[C@H](C)N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000182344339 400892408 /nfs/dbraw/zinc/89/24/08/400892408.db2.gz OKJGYWUGGPRNHW-SUMWQHHRSA-N 0 3 304.409 3.480 20 30 DGEDHN C[C@H](CCO)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000593694229 400893304 /nfs/dbraw/zinc/89/33/04/400893304.db2.gz KMXUCLLEVYNBPA-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000182589327 400894410 /nfs/dbraw/zinc/89/44/10/400894410.db2.gz ZNYDORGTYRFHPV-RDJZCZTQSA-N 0 3 321.852 3.435 20 30 DGEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1cccc2ccccc21 ZINC000593707420 400897271 /nfs/dbraw/zinc/89/72/71/400897271.db2.gz HFCANVMGPFRLJC-SUMWQHHRSA-N 0 3 324.380 3.110 20 30 DGEDHN CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000593708305 400897464 /nfs/dbraw/zinc/89/74/64/400897464.db2.gz SMDCMPQLOPZHFA-AEFFLSMTSA-N 0 3 315.461 3.154 20 30 DGEDHN C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000619781042 400905767 /nfs/dbraw/zinc/90/57/67/400905767.db2.gz QJSQOPTUUYZTSH-FRRDWIJNSA-N 0 3 319.836 3.089 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000188298478 400908211 /nfs/dbraw/zinc/90/82/11/400908211.db2.gz SWFMLEPZGCFPKG-HXUWFJFHSA-N 0 3 314.473 3.412 20 30 DGEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OC1CC1 ZINC000598953416 400911643 /nfs/dbraw/zinc/91/16/43/400911643.db2.gz ADIUYHWVQIUMKC-UHFFFAOYSA-N 0 3 308.381 3.398 20 30 DGEDHN C[C@H](c1cccs1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000198865465 400935640 /nfs/dbraw/zinc/93/56/40/400935640.db2.gz NKXKGTKRRCHRCW-HIFRSBDPSA-N 0 3 316.426 3.052 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000606973241 400992878 /nfs/dbraw/zinc/99/28/78/400992878.db2.gz VHITZUJCIWYHDY-DLBZAZTESA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000606974989 400992949 /nfs/dbraw/zinc/99/29/49/400992949.db2.gz JYGKQIKQKQKKKC-KRWDZBQOSA-N 0 3 309.498 3.495 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCc1ccc(C#N)c(F)c1)C(C)C ZINC000594042405 400959834 /nfs/dbraw/zinc/95/98/34/400959834.db2.gz DIDDVAVAHCJNMZ-MRXNPFEDSA-N 0 3 306.381 3.153 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCN1C1CCCCC1 ZINC000599128355 400970533 /nfs/dbraw/zinc/97/05/33/400970533.db2.gz YFXDDYDAFKKSSR-MRXNPFEDSA-N 0 3 314.389 3.285 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000594085711 400979335 /nfs/dbraw/zinc/97/93/35/400979335.db2.gz ZEUUJKVVEGFFEZ-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000058451030 401052735 /nfs/dbraw/zinc/05/27/35/401052735.db2.gz AFZIFKYEZAFNJU-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN Cc1cnc(CCNC(=O)C(C#N)CCc2ccccc2)c(C)c1 ZINC000594396943 401056581 /nfs/dbraw/zinc/05/65/81/401056581.db2.gz IZNIIBJFJSFQNO-SFHVURJKSA-N 0 3 321.424 3.130 20 30 DGEDHN Cc1ccc(CN(C(=O)[C@@H](N)CCCCC#N)C(C)C)s1 ZINC000594431766 401065825 /nfs/dbraw/zinc/06/58/25/401065825.db2.gz RATUEOBQPGEUNP-HNNXBMFYSA-N 0 3 307.463 3.205 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515227 401065899 /nfs/dbraw/zinc/06/58/99/401065899.db2.gz AZEQMUJTDQCHFT-LSDHHAIUSA-N 0 3 320.383 3.199 20 30 DGEDHN N#Cc1c(NC(=O)CCN2CCC23CCC3)sc2c1CCC2 ZINC000081545783 401075027 /nfs/dbraw/zinc/07/50/27/401075027.db2.gz VFUFKUQFFGRGOY-UHFFFAOYSA-N 0 3 315.442 3.065 20 30 DGEDHN CCCNC(=O)C1(NCc2ccc(C)c(C#N)c2)CCCCC1 ZINC000599331661 401023986 /nfs/dbraw/zinc/02/39/86/401023986.db2.gz WGHBHGUFHUZUCW-UHFFFAOYSA-N 0 3 313.445 3.185 20 30 DGEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1C#N ZINC000599346041 401028180 /nfs/dbraw/zinc/02/81/80/401028180.db2.gz WLRDLDQLNRUBJE-CQSZACIVSA-N 0 3 308.381 3.489 20 30 DGEDHN COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599344519 401028604 /nfs/dbraw/zinc/02/86/04/401028604.db2.gz FBSYQPRKRNCYPC-KRWDZBQOSA-N 0 3 314.429 3.278 20 30 DGEDHN Cc1cccc(OCCN(C)CCOc2ccccc2C#N)c1 ZINC000060466050 401119969 /nfs/dbraw/zinc/11/99/69/401119969.db2.gz RZJZKBBIJMZDKF-UHFFFAOYSA-N 0 3 310.397 3.256 20 30 DGEDHN CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1CCCCC1 ZINC000060495251 401120873 /nfs/dbraw/zinc/12/08/73/401120873.db2.gz ISMSWCHSZPPOSM-MRXNPFEDSA-N 0 3 307.482 3.287 20 30 DGEDHN COC(=O)C1C[C@@H](C)N(Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000599699316 401121832 /nfs/dbraw/zinc/12/18/32/401121832.db2.gz YBCFNUOFQGYPJX-ZIAGYGMSSA-N 0 3 300.402 3.029 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594603378 401127035 /nfs/dbraw/zinc/12/70/35/401127035.db2.gz URJNOBQSYRZJIB-STQMWFEESA-N 0 3 324.350 3.401 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000599805186 401141992 /nfs/dbraw/zinc/14/19/92/401141992.db2.gz ILPVFTLOZDTVBF-DOTOQJQBSA-N 0 3 315.461 3.432 20 30 DGEDHN C=CCC1(NCC(=O)Nc2sccc2C#N)CCCCC1 ZINC000599611193 401090710 /nfs/dbraw/zinc/09/07/10/401090710.db2.gz YFNNYVRBLFCUEM-UHFFFAOYSA-N 0 3 303.431 3.427 20 30 DGEDHN CN(C)C[C@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000599627861 401095695 /nfs/dbraw/zinc/09/56/95/401095695.db2.gz OXVATDBMSBCOPU-AWEZNQCLSA-N 0 3 300.233 3.489 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc(Cl)c(F)c2)CC1 ZINC000625321362 401097851 /nfs/dbraw/zinc/09/78/51/401097851.db2.gz LJRHGNJYTKSSQM-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN CC(C)[C@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000594519964 401098283 /nfs/dbraw/zinc/09/82/83/401098283.db2.gz UZHFRIJGDUWIMJ-HNNXBMFYSA-N 0 3 320.408 3.401 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1cc(C)ccc1C ZINC000599640660 401099686 /nfs/dbraw/zinc/09/96/86/401099686.db2.gz LXYNPHNFYFVMMN-WBVHZDCISA-N 0 3 301.434 3.105 20 30 DGEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640192 401099801 /nfs/dbraw/zinc/09/98/01/401099801.db2.gz GNQADFIGTDIAPK-PKOBYXMFSA-N 0 3 315.461 3.399 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)[C@H](C)CC ZINC000061759759 401162814 /nfs/dbraw/zinc/16/28/14/401162814.db2.gz CCGGPBJGFRSISP-QGZVFWFLSA-N 0 3 300.446 3.488 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](COC)C(C)C)ccc1OC ZINC000608060826 401179439 /nfs/dbraw/zinc/17/94/39/401179439.db2.gz LTELPJDIPSBASB-INIZCTEOSA-N 0 3 307.434 3.411 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc4[nH]ccc4c3)C2)nc1 ZINC000600161779 401200529 /nfs/dbraw/zinc/20/05/29/401200529.db2.gz MQTPETIWKNJYGL-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCCSCCNCc1cn(C)nc1-c1ccccc1 ZINC000594959790 401208594 /nfs/dbraw/zinc/20/85/94/401208594.db2.gz DZIANPHEYWNZKK-UHFFFAOYSA-N 0 3 301.459 3.486 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c1 ZINC000594963875 401212103 /nfs/dbraw/zinc/21/21/03/401212103.db2.gz KYWCBAIANYVMCR-KUDFPVQQSA-N 0 3 307.459 3.031 20 30 DGEDHN COCCN(CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754233 401215400 /nfs/dbraw/zinc/21/54/00/401215400.db2.gz QXBXQRZPRZNXMU-UHFFFAOYSA-N 0 3 324.424 3.476 20 30 DGEDHN C=CCC1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000594985882 401219604 /nfs/dbraw/zinc/21/96/04/401219604.db2.gz BTJBUUMVWLSXKJ-UHFFFAOYSA-N 0 3 318.373 3.440 20 30 DGEDHN N#CCc1cccc2c1CCN(Cc1ccc3[nH]cnc3c1)C2 ZINC000600213302 401223651 /nfs/dbraw/zinc/22/36/51/401223651.db2.gz SGFCUHHBNZGCRN-UHFFFAOYSA-N 0 3 302.381 3.187 20 30 DGEDHN N#CCc1cccc2c1CCN(Cc1ccc3nc[nH]c3c1)C2 ZINC000600213302 401223655 /nfs/dbraw/zinc/22/36/55/401223655.db2.gz SGFCUHHBNZGCRN-UHFFFAOYSA-N 0 3 302.381 3.187 20 30 DGEDHN CC(C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000065961562 401288642 /nfs/dbraw/zinc/28/86/42/401288642.db2.gz VHQJMKPGKUYPRO-AWEZNQCLSA-N 0 3 305.397 3.049 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1nc(C)c(C)o1)C(C)C ZINC000065787827 401278895 /nfs/dbraw/zinc/27/88/95/401278895.db2.gz NPQLCDVMOUHXOF-OAHLLOKOSA-N 0 3 320.437 3.112 20 30 DGEDHN Cc1ccccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931251 401285846 /nfs/dbraw/zinc/28/58/46/401285846.db2.gz SKXGWEZCTXMAEE-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2ccc(O)cc2C1 ZINC000600226864 401227898 /nfs/dbraw/zinc/22/78/98/401227898.db2.gz DVTGPSIAXBTYCO-HNNXBMFYSA-N 0 3 306.365 3.007 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC3(CC3)CC2)CC1 ZINC000636742152 401590864 /nfs/dbraw/zinc/59/08/64/401590864.db2.gz KRKOTNASCJSWEL-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN C[C@@H]1CC[C@@H](NCC2(CC#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496105337 296659399 /nfs/dbraw/zinc/65/93/99/296659399.db2.gz KXJXNURBVIJQFU-ZIAGYGMSSA-N 0 3 307.438 3.058 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000186115235 165027577 /nfs/dbraw/zinc/02/75/77/165027577.db2.gz URHSKKOYTXRLIA-ZCNNSNEGSA-N 0 3 322.408 3.273 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@@H]1Oc1ccccc1 ZINC000186103395 165028093 /nfs/dbraw/zinc/02/80/93/165028093.db2.gz WMWNPUQIEGFEMS-AQNXPRMDSA-N 0 3 322.408 3.273 20 30 DGEDHN Cn1cc(CNCc2cccc(-c3ccccn3)c2)cc1C#N ZINC000191460706 165252373 /nfs/dbraw/zinc/25/23/73/165252373.db2.gz FEVJBHNSHJKPGX-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN Cn1cc(CN[C@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1C#N ZINC000191613629 165260906 /nfs/dbraw/zinc/26/09/06/165260906.db2.gz MLQIBLNTPFIWIT-OALUTQOASA-N 0 3 323.440 3.370 20 30 DGEDHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192120613 165282436 /nfs/dbraw/zinc/28/24/36/165282436.db2.gz UQBKAQZRZPSXKF-SFHVURJKSA-N 0 3 312.388 3.470 20 30 DGEDHN CCCNC(=O)C1(NCc2ccc(C#N)c(F)c2)CCCCC1 ZINC000192114093 165283269 /nfs/dbraw/zinc/28/32/69/165283269.db2.gz IKLNCPGZNDXHIJ-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000171722027 432164585 /nfs/dbraw/zinc/16/45/85/432164585.db2.gz RLSZTKYDXLCWME-UHFFFAOYSA-N 0 3 319.257 3.435 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)SCc2ccccc2)CC1 ZINC000171718014 432164834 /nfs/dbraw/zinc/16/48/34/432164834.db2.gz RZOXGFSLSFOPDG-HNNXBMFYSA-N 0 3 318.486 3.075 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000171721663 432165740 /nfs/dbraw/zinc/16/57/40/432165740.db2.gz PXIOGSPPDBRNHW-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cn(CC)c3ccccc23)CC1 ZINC000171722409 432165752 /nfs/dbraw/zinc/16/57/52/432165752.db2.gz YMKLJIRLAJGASO-UHFFFAOYSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CCC)CC1 ZINC000171738154 432166946 /nfs/dbraw/zinc/16/69/46/432166946.db2.gz VCWKXGWKCKTUOO-UHFFFAOYSA-N 0 3 301.434 3.411 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccccc2C)CC1 ZINC000171736719 432167573 /nfs/dbraw/zinc/16/75/73/432167573.db2.gz LYDCQUHWOMWWRJ-UHFFFAOYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000150745876 432188265 /nfs/dbraw/zinc/18/82/65/432188265.db2.gz GJEPNIWSBMFQSJ-RYRKJORJSA-N 0 3 319.493 3.390 20 30 DGEDHN C=CCOc1ccc(CN2CCSC[C@H](C)C2)cc1OC ZINC000190844553 432194181 /nfs/dbraw/zinc/19/41/81/432194181.db2.gz RAIAVIRXKINTOW-CQSZACIVSA-N 0 3 307.459 3.445 20 30 DGEDHN Cn1cc(CNC[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1C#N ZINC000191092547 432219856 /nfs/dbraw/zinc/21/98/56/432219856.db2.gz DRDLUCYCJRDZQM-GOSISDBHSA-N 0 3 311.429 3.017 20 30 DGEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000191126368 432223783 /nfs/dbraw/zinc/22/37/83/432223783.db2.gz CJPZIZMFOTVVSI-YVEFUNNKSA-N 0 3 317.820 3.416 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291296518 222293283 /nfs/dbraw/zinc/29/32/83/222293283.db2.gz QDTNWUGBQIYXJE-OAQYLSRUSA-N 0 3 320.436 3.375 20 30 DGEDHN C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000297479221 227223714 /nfs/dbraw/zinc/22/37/14/227223714.db2.gz ZBYOJPWSCGNGDC-SJKOYZFVSA-N 0 3 316.351 3.091 20 30 DGEDHN Cc1nccn1CCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000163195628 228261750 /nfs/dbraw/zinc/26/17/50/228261750.db2.gz WYIPDVYZZYZQBU-RBUKOAKNSA-N 0 3 308.429 3.353 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000178561054 228342923 /nfs/dbraw/zinc/34/29/23/228342923.db2.gz XOXFKERZSRKOPA-UONOGXRCSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCCO1 ZINC000179394661 228350963 /nfs/dbraw/zinc/35/09/63/228350963.db2.gz PWGCARZSSSLUMV-MRXNPFEDSA-N 0 3 324.428 3.075 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)NC1(C#N)CCCCC1 ZINC000181523318 228362886 /nfs/dbraw/zinc/36/28/86/228362886.db2.gz URKVGMOADTZQFY-HOTGVXAUSA-N 0 3 313.445 3.111 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000185777609 228396815 /nfs/dbraw/zinc/39/68/15/228396815.db2.gz XHNVZFBYNBLCDY-DGCLKSJQSA-N 0 3 313.323 3.195 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000279171723 228720179 /nfs/dbraw/zinc/72/01/79/228720179.db2.gz AGAOBTKTCWMNCQ-GUDVDZBRSA-N 0 3 321.424 3.422 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C(C)(C)C)on1 ZINC000330913523 229008926 /nfs/dbraw/zinc/00/89/26/229008926.db2.gz XNVLPRFIXTZKCM-CHWSQXEVSA-N 0 3 307.438 3.397 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000331397898 229031537 /nfs/dbraw/zinc/03/15/37/229031537.db2.gz GPRCQEUVAYKGOU-NVXWUHKLSA-N 0 3 311.429 3.022 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000331624399 229032088 /nfs/dbraw/zinc/03/20/88/229032088.db2.gz SLSPCAFRKSHMHS-SNVBAGLBSA-N 0 3 317.776 3.347 20 30 DGEDHN CC(C#N)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000336722007 229041163 /nfs/dbraw/zinc/04/11/63/229041163.db2.gz VJLKMLPINCNXLH-OAHLLOKOSA-N 0 3 308.381 3.084 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cncc3ccccc32)nc(C)n1 ZINC000340889591 229092722 /nfs/dbraw/zinc/09/27/22/229092722.db2.gz YWGVTTAAQWRGQT-HNNXBMFYSA-N 0 3 302.337 3.132 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000341201746 229095322 /nfs/dbraw/zinc/09/53/22/229095322.db2.gz MKNVLRSLWNFEHH-CZUORRHYSA-N 0 3 314.433 3.092 20 30 DGEDHN N#CCCCOc1cccc(CNC[C@@H]2Cc3ccccc3O2)c1 ZINC000338954464 229072600 /nfs/dbraw/zinc/07/26/00/229072600.db2.gz ZNOQHLZIUVXEON-IBGZPJMESA-N 0 3 322.408 3.462 20 30 DGEDHN CC(C#N)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000345808435 229157650 /nfs/dbraw/zinc/15/76/50/229157650.db2.gz BTFILJSHSBBLET-HNNXBMFYSA-N 0 3 308.381 3.179 20 30 DGEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000347107216 229181947 /nfs/dbraw/zinc/18/19/47/229181947.db2.gz MTAVDGLFOKVJOE-NOZJJQNGSA-N 0 3 313.184 3.053 20 30 DGEDHN N#CC(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccncn1 ZINC000354456898 229296451 /nfs/dbraw/zinc/29/64/51/229296451.db2.gz BTJINWYYDCBBNI-ZDUSSCGKSA-N 0 3 319.286 3.462 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1Br ZINC000354454731 229294742 /nfs/dbraw/zinc/29/47/42/229294742.db2.gz AEALVCLDXDOZRU-LLVKDONJSA-N 0 3 316.158 3.038 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)ccc1Br ZINC000354457045 229295003 /nfs/dbraw/zinc/29/50/03/229295003.db2.gz CEJPFWZXGQWNEG-LLVKDONJSA-N 0 3 316.158 3.038 20 30 DGEDHN CC(C#N)C(=O)N1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000359435693 229378548 /nfs/dbraw/zinc/37/85/48/229378548.db2.gz LQNZGXKNWHBRSK-LBPRGKRZSA-N 0 3 313.426 3.336 20 30 DGEDHN C[C@@H]1C[C@H](Nc2ncc(C#N)cc2F)CN1Cc1ccccc1 ZINC000413190753 230149679 /nfs/dbraw/zinc/14/96/79/230149679.db2.gz XMHZFBWFHMTNRD-CJNGLKHVSA-N 0 3 310.376 3.167 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@@]1(CC)CCOC1 ZINC000683045113 549421845 /nfs/dbraw/zinc/42/18/45/549421845.db2.gz PUEYEBZNQDQKJH-KRWDZBQOSA-N 0 3 320.458 3.062 20 30 DGEDHN Cc1ccc(C#N)c(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000346822452 264104019 /nfs/dbraw/zinc/10/40/19/264104019.db2.gz DLFKBCCNIMNENR-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN C[C@@H]1CSC[C@H]1NCc1ccc(Br)cc1C#N ZINC000347130317 264162116 /nfs/dbraw/zinc/16/21/16/264162116.db2.gz KAHSFGFNBUVVJN-NOZJJQNGSA-N 0 3 311.248 3.162 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2OC)C1(C)C ZINC000347243084 264182730 /nfs/dbraw/zinc/18/27/30/264182730.db2.gz TZXWJEKSXKVXNC-IRXDYDNUSA-N 0 3 302.418 3.202 20 30 DGEDHN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000348176899 264358248 /nfs/dbraw/zinc/35/82/48/264358248.db2.gz WLBGXRLIKQTQJP-IBGZPJMESA-N 0 3 324.424 3.340 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C2CC2)C1 ZINC000534278169 270004953 /nfs/dbraw/zinc/00/49/53/270004953.db2.gz BGPUDPVWRWTPDC-FZMZJTMJSA-N 0 3 317.820 3.271 20 30 DGEDHN COC(=O)c1cccc(CN2CCC[C@H]2C2CCCC2)c1C#N ZINC000534487932 270005136 /nfs/dbraw/zinc/00/51/36/270005136.db2.gz WGGNCVVHJJXVGJ-SFHVURJKSA-N 0 3 312.413 3.499 20 30 DGEDHN CCC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000351971083 266017597 /nfs/dbraw/zinc/01/75/97/266017597.db2.gz OHJRFQBDKRVISE-GOSISDBHSA-N 0 3 311.429 3.176 20 30 DGEDHN CCC[C@]1(NCc2ccc(C#N)cc2OC(F)F)CCOC1 ZINC000352828929 266082887 /nfs/dbraw/zinc/08/28/87/266082887.db2.gz GCJWCAMITLXOHS-INIZCTEOSA-N 0 3 310.344 3.208 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000356107978 266286413 /nfs/dbraw/zinc/28/64/13/266286413.db2.gz FLAQHOMCBDLCHU-HUUCEWRRSA-N 0 3 310.319 3.234 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)CCOc2ccc(C#N)cc2)C1(C)C ZINC000354425230 266303140 /nfs/dbraw/zinc/30/31/40/266303140.db2.gz BCBKQNRXWYEDDD-IRXDYDNUSA-N 0 3 302.418 3.072 20 30 DGEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000355818378 266362182 /nfs/dbraw/zinc/36/21/82/266362182.db2.gz IJSSHVSPMGHTHG-HUUCEWRRSA-N 0 3 313.445 3.073 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)s1)c1ccco1 ZINC000359548075 266362317 /nfs/dbraw/zinc/36/23/17/266362317.db2.gz SYYFNGHNSMUBJM-YPMHNXCESA-N 0 3 317.414 3.072 20 30 DGEDHN CC[C@@H](C)N[C@H](CNC(=O)c1cccc(C#N)c1)c1ccco1 ZINC000359537721 266363342 /nfs/dbraw/zinc/36/33/42/266363342.db2.gz GYMXKFWWZRKPER-CZUORRHYSA-N 0 3 311.385 3.010 20 30 DGEDHN CN(C)[C@H](CNc1cc(C#N)nc(C2CC2)n1)c1cccs1 ZINC000601100084 425049172 /nfs/dbraw/zinc/04/91/72/425049172.db2.gz KKTTUUXTMYSZEU-CYBMUJFWSA-N 0 3 313.430 3.002 20 30 DGEDHN CN(C)[C@@H](CNc1cc(C#N)nc(C2CC2)n1)c1cccs1 ZINC000601100085 425049270 /nfs/dbraw/zinc/04/92/70/425049270.db2.gz KKTTUUXTMYSZEU-ZDUSSCGKSA-N 0 3 313.430 3.002 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2ccc(F)cc2C#N)C1 ZINC000374078501 267030953 /nfs/dbraw/zinc/03/09/53/267030953.db2.gz BNARVZRAICIWDJ-BPQTVZERSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@@H]1CSC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000352791909 267073283 /nfs/dbraw/zinc/07/32/83/267073283.db2.gz JUJXPYYFPKXCHM-RNCFNFMXSA-N 0 3 311.248 3.162 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000403971917 267082231 /nfs/dbraw/zinc/08/22/31/267082231.db2.gz BWJPUROYPMEHRZ-DNVCBOLYSA-N 0 3 323.415 3.450 20 30 DGEDHN C[C@H](CNc1c(C#N)nnc2ccccc21)N1CCC[C@H](C)C1 ZINC000354312427 267162970 /nfs/dbraw/zinc/16/29/70/267162970.db2.gz QXQRGQKLBSEPLD-UONOGXRCSA-N 0 3 309.417 3.034 20 30 DGEDHN CC[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000497129679 267194206 /nfs/dbraw/zinc/19/42/06/267194206.db2.gz LVLGFBHUGHWNBT-OAHLLOKOSA-N 0 3 303.406 3.124 20 30 DGEDHN CN(C[C@H]1CCCN1C)c1c(C#N)cnc2c(Cl)cccc21 ZINC000517363893 267309536 /nfs/dbraw/zinc/30/95/36/267309536.db2.gz NCOKMFAZYADNPK-CYBMUJFWSA-N 0 3 314.820 3.290 20 30 DGEDHN Cc1cc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)ccc1C#N ZINC000353222816 267327062 /nfs/dbraw/zinc/32/70/62/267327062.db2.gz QYXFDAPRVUFDMR-VQTJNVASSA-N 0 3 306.409 3.123 20 30 DGEDHN Cc1cc([C@H]2CCCN2CCCOc2cccc(C#N)c2)on1 ZINC000357174687 267363905 /nfs/dbraw/zinc/36/39/05/267363905.db2.gz WJGDQGWMJCJBJO-QGZVFWFLSA-N 0 3 311.385 3.461 20 30 DGEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000377308582 268055239 /nfs/dbraw/zinc/05/52/39/268055239.db2.gz MESDCKSNXJYAMR-SFHVURJKSA-N 0 3 322.408 3.133 20 30 DGEDHN N#Cc1ccc(CN2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC000376648153 268066032 /nfs/dbraw/zinc/06/60/32/268066032.db2.gz FFDDUDAGMKOHRG-UHFFFAOYSA-N 0 3 324.399 3.267 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000270403319 432242006 /nfs/dbraw/zinc/24/20/06/432242006.db2.gz WWODNTGJEVDXIZ-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN COc1ccc(NC(=O)C[C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151391896 432243026 /nfs/dbraw/zinc/24/30/26/432243026.db2.gz ZHIYDJSEQDZYFS-CQSZACIVSA-N 0 3 323.396 3.074 20 30 DGEDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000191305929 432248570 /nfs/dbraw/zinc/24/85/70/432248570.db2.gz HKKVFAKVWHUFJO-AWEZNQCLSA-N 0 3 305.809 3.318 20 30 DGEDHN C[C@H]1C[C@H](c2cccnc2)N(CCOc2ccc(C#N)cc2)C1 ZINC000359864549 271003502 /nfs/dbraw/zinc/00/35/02/271003502.db2.gz BDIQUABDBDSVTN-HNAYVOBHSA-N 0 3 307.397 3.415 20 30 DGEDHN C[C@H]1C[C@@H](Nc2cccnc2C#N)CCN1Cc1ccccc1 ZINC000368117600 271140460 /nfs/dbraw/zinc/14/04/60/271140460.db2.gz YUIBIXSAGFRCDD-RDJZCZTQSA-N 0 3 306.413 3.418 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000280568426 273483727 /nfs/dbraw/zinc/48/37/27/273483727.db2.gz GMDPZBNVYTUWOV-ABAIWWIYSA-N 0 3 310.781 3.319 20 30 DGEDHN CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000163254887 273727073 /nfs/dbraw/zinc/72/70/73/273727073.db2.gz CKTPMUMTGBZTBH-UKRRQHHQSA-N 0 3 303.406 3.265 20 30 DGEDHN COC[C@@]1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000295125446 274046945 /nfs/dbraw/zinc/04/69/45/274046945.db2.gz AEGRERFLSHWSIG-INIZCTEOSA-N 0 3 311.347 3.415 20 30 DGEDHN C[C@@]1(CO)CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000472624707 274451409 /nfs/dbraw/zinc/45/14/09/274451409.db2.gz RQLXBOAFILJCCT-HOTGVXAUSA-N 0 3 311.347 3.198 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000449647066 274520301 /nfs/dbraw/zinc/52/03/01/274520301.db2.gz OZXBADODLKOYBH-WBTNSWJXSA-N 0 3 311.429 3.025 20 30 DGEDHN Cc1nc(NC[C@@H](C)N2CCc3ccccc3C2)ccc1C#N ZINC000487915225 429172937 /nfs/dbraw/zinc/17/29/37/429172937.db2.gz VHWIMEKKXUDFFT-CQSZACIVSA-N 0 3 306.413 3.120 20 30 DGEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486811350 276041264 /nfs/dbraw/zinc/04/12/64/276041264.db2.gz TYEDAKQYVMZXQD-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000345744081 276669696 /nfs/dbraw/zinc/66/96/96/276669696.db2.gz CIMFRTWRLNQMCO-MAUKXSAKSA-N 0 3 313.445 3.194 20 30 DGEDHN C=CC(C)(C)CNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000449486401 276880834 /nfs/dbraw/zinc/88/08/34/276880834.db2.gz RYNUSMNCLUVHON-UHFFFAOYSA-N 0 3 315.866 3.435 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000492078898 276923462 /nfs/dbraw/zinc/92/34/62/276923462.db2.gz HTNYNQQFFUSMHA-DLBZAZTESA-N 0 3 301.434 3.039 20 30 DGEDHN COCCN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCO[C@@H]1C ZINC000489434404 277218169 /nfs/dbraw/zinc/21/81/69/277218169.db2.gz SJFHQRIMNPXUPO-QAPCUYQASA-N 0 3 316.445 3.114 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000450262558 277818898 /nfs/dbraw/zinc/81/88/98/277818898.db2.gz NQVOHBPXYDKMAC-UHFFFAOYSA-N 0 3 316.445 3.336 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000429832504 277822265 /nfs/dbraw/zinc/82/22/65/277822265.db2.gz UPBKJGLUQHCNEE-UHFFFAOYSA-N 0 3 310.507 3.067 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000341036252 277845455 /nfs/dbraw/zinc/84/54/55/277845455.db2.gz JOBRAKIGYDAPSR-QAPCUYQASA-N 0 3 316.445 3.325 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443650697 278204011 /nfs/dbraw/zinc/20/40/11/278204011.db2.gz JAASEMZKQJEHRJ-PMPSAXMXSA-N 0 3 305.466 3.086 20 30 DGEDHN C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000182133134 278355583 /nfs/dbraw/zinc/35/55/83/278355583.db2.gz POSAUGULIMSEMR-PBHICJAKSA-N 0 3 300.402 3.285 20 30 DGEDHN C[C@@H]1OCC[C@]1(C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000494222417 279054572 /nfs/dbraw/zinc/05/45/72/279054572.db2.gz FWTOIOFZILGHAC-WFASDCNBSA-N 0 3 313.319 3.094 20 30 DGEDHN Cn1cc([C@H]2CCCCN2CCCC2(C#N)CCOCC2)cn1 ZINC000331737429 279349465 /nfs/dbraw/zinc/34/94/65/279349465.db2.gz UJZFRSKPHVBQEA-QGZVFWFLSA-N 0 3 316.449 3.048 20 30 DGEDHN N#Cc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1 ZINC000069711183 431215165 /nfs/dbraw/zinc/21/51/65/431215165.db2.gz FSNXERJKKYTFSK-UHFFFAOYSA-N 0 3 306.413 3.233 20 30 DGEDHN C[C@@H](CNC(=O)Nc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000111419020 431218451 /nfs/dbraw/zinc/21/84/51/431218451.db2.gz GQMHZLKEJWJXMY-HNNXBMFYSA-N 0 3 322.412 3.200 20 30 DGEDHN CCCCN(C)CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000112465905 431277634 /nfs/dbraw/zinc/27/76/34/431277634.db2.gz VCOYIEQVRFVENI-UHFFFAOYSA-N 0 3 316.449 3.341 20 30 DGEDHN CCSc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543443 431282817 /nfs/dbraw/zinc/28/28/17/431282817.db2.gz YEWXGPMZVGKGHU-KBPBESRZSA-N 0 3 319.474 3.210 20 30 DGEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000112699183 431297378 /nfs/dbraw/zinc/29/73/78/431297378.db2.gz DKBPGHRZCAZCAX-MOPGFXCFSA-N 0 3 315.461 3.370 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000113565609 431354067 /nfs/dbraw/zinc/35/40/67/431354067.db2.gz MPUPRLVUJBCZES-OAHLLOKOSA-N 0 3 318.396 3.083 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)n1C ZINC000114620747 431402053 /nfs/dbraw/zinc/40/20/53/431402053.db2.gz KRPLGJLROBBBMN-ZDUSSCGKSA-N 0 3 322.393 3.342 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000116941341 431540774 /nfs/dbraw/zinc/54/07/74/431540774.db2.gz KXVFESOQCZFNQC-ZFWWWQNUSA-N 0 3 309.479 3.395 20 30 DGEDHN C[C@H]1OCC[C@@]1(C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000494222415 280062239 /nfs/dbraw/zinc/06/22/39/280062239.db2.gz FWTOIOFZILGHAC-IUODEOHRSA-N 0 3 313.319 3.094 20 30 DGEDHN CC(C)(CNC(=O)Nc1ccc(CC#N)cc1)N1CCCCC1 ZINC000078317835 431658813 /nfs/dbraw/zinc/65/88/13/431658813.db2.gz HSTGMTXKMUDSEC-UHFFFAOYSA-N 0 3 314.433 3.139 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571675 431610173 /nfs/dbraw/zinc/61/01/73/431610173.db2.gz LRDZQVOCLXVDLP-UHFFFAOYSA-N 0 3 321.424 3.027 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)C[C@@H](N)c1ccccc1 ZINC000118975001 431628290 /nfs/dbraw/zinc/62/82/90/431628290.db2.gz IWJUGSCSUUNGNS-LJQANCHMSA-N 0 3 308.425 3.334 20 30 DGEDHN CCC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000024591242 431642543 /nfs/dbraw/zinc/64/25/43/431642543.db2.gz QTUFFFNVDLMFSG-UYAOXDASSA-N 0 3 324.424 3.429 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000024461040 431643986 /nfs/dbraw/zinc/64/39/86/431643986.db2.gz NDGRADGFRREYGK-KRWDZBQOSA-N 0 3 313.445 3.270 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)N(C)C)cc1 ZINC000027595960 431691545 /nfs/dbraw/zinc/69/15/45/431691545.db2.gz SFZDQKPDVRUFJJ-LJQANCHMSA-N 0 3 321.424 3.153 20 30 DGEDHN CCN(CCC#N)C(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000079963066 431757810 /nfs/dbraw/zinc/75/78/10/431757810.db2.gz CHKPSSANMKYHLO-INIZCTEOSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CCc2ccccc2F)CC1 ZINC000080079568 431761840 /nfs/dbraw/zinc/76/18/40/431761840.db2.gz NEZIRIOLQCOJCL-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000080079317 431762608 /nfs/dbraw/zinc/76/26/08/431762608.db2.gz KBKGPAGQTXXTBA-UHFFFAOYSA-N 0 3 312.413 3.430 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000081355620 431788716 /nfs/dbraw/zinc/78/87/16/431788716.db2.gz WXMRKUAXRVAZRJ-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000083231842 431809073 /nfs/dbraw/zinc/80/90/73/431809073.db2.gz IIIXFRLDJRZKDY-JKSUJKDBSA-N 0 3 315.461 3.128 20 30 DGEDHN C#CCN1CCC(C(=O)NCC2(CC(C)C)CCCC2)CC1 ZINC000087434143 431854898 /nfs/dbraw/zinc/85/48/98/431854898.db2.gz JDYARMJHUGFGJT-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000123228722 431859107 /nfs/dbraw/zinc/85/91/07/431859107.db2.gz SRNQANKFNMDOMT-GOSISDBHSA-N 0 3 315.461 3.431 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)c2ccc(F)cc2)CC1 ZINC000123488000 431866703 /nfs/dbraw/zinc/86/67/03/431866703.db2.gz QTKRGLVQAJQKKI-SFHVURJKSA-N 0 3 318.436 3.476 20 30 DGEDHN CC(C)c1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1 ZINC000092793716 431912065 /nfs/dbraw/zinc/91/20/65/431912065.db2.gz ZBPMFNZJNSMEFY-UHFFFAOYSA-N 0 3 301.434 3.004 20 30 DGEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000089938830 431886158 /nfs/dbraw/zinc/88/61/58/431886158.db2.gz ZLOMGMVDYMRIBD-CYBMUJFWSA-N 0 3 315.360 3.374 20 30 DGEDHN C=C(C)COCCN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000090451414 431892222 /nfs/dbraw/zinc/89/22/22/431892222.db2.gz QNAWEGVFMNNLCH-CQSZACIVSA-N 0 3 317.433 3.214 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000124814180 431904975 /nfs/dbraw/zinc/90/49/75/431904975.db2.gz KVXBLEWENUROOZ-MSOLQXFVSA-N 0 3 307.409 3.134 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](CC)C1 ZINC000125657843 431932584 /nfs/dbraw/zinc/93/25/84/431932584.db2.gz SDCSAQUFRMPZHS-GJZGRUSLSA-N 0 3 306.475 3.383 20 30 DGEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000048813801 431933042 /nfs/dbraw/zinc/93/30/42/431933042.db2.gz RKBBFURGGUHYBU-CYBMUJFWSA-N 0 3 320.352 3.235 20 30 DGEDHN CCCCCNC(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051800389 431952771 /nfs/dbraw/zinc/95/27/71/431952771.db2.gz NEYOJBXZRALEBO-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(C#N)cc2)cc1 ZINC000055901783 431986871 /nfs/dbraw/zinc/98/68/71/431986871.db2.gz MBAYEMOIQYXRLE-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CC(C)(C)C#N)N(C)C ZINC000357863483 281359146 /nfs/dbraw/zinc/35/91/46/281359146.db2.gz YOWMJFPBNJFKFX-RHSMWYFYSA-N 0 3 301.434 3.042 20 30 DGEDHN N#CC(CCN1CC[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000191506890 432273264 /nfs/dbraw/zinc/27/32/64/432273264.db2.gz ZAVOUVRIMUGQAG-GOSISDBHSA-N 0 3 320.436 3.201 20 30 DGEDHN N#CC1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000057879126 431994055 /nfs/dbraw/zinc/99/40/55/431994055.db2.gz BEXMZAOGXLSYCK-UHFFFAOYSA-N 0 3 309.772 3.043 20 30 DGEDHN C#CCCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000192098538 432332406 /nfs/dbraw/zinc/33/24/06/432332406.db2.gz XELZBYHIEFVYPX-UHFFFAOYSA-N 0 3 316.470 3.020 20 30 DGEDHN N#Cc1ccc(CNCCCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000174294716 432334740 /nfs/dbraw/zinc/33/47/40/432334740.db2.gz VKMOJUWYPKSUHW-UHFFFAOYSA-N 0 3 317.776 3.313 20 30 DGEDHN C=CCc1cc(CN2CCC3(C2)CCOCC3)cc(OC)c1O ZINC000271176001 432346579 /nfs/dbraw/zinc/34/65/79/432346579.db2.gz BJWUEUZZNOHSBF-UHFFFAOYSA-N 0 3 317.429 3.132 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1c1ccccc1C ZINC000249681863 432353967 /nfs/dbraw/zinc/35/39/67/432353967.db2.gz DWWCTGQQNKOVJY-YJBOKZPZSA-N 0 3 313.445 3.140 20 30 DGEDHN C[C@@H](NCc1cc(C#N)ccc1Br)C1CCOCC1 ZINC000191821283 432306033 /nfs/dbraw/zinc/30/60/33/432306033.db2.gz PMIRJYJZPVOFCK-LLVKDONJSA-N 0 3 323.234 3.225 20 30 DGEDHN C=CCCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000153080193 432382358 /nfs/dbraw/zinc/38/23/58/432382358.db2.gz GYMYBSLJCJPGSM-KRWDZBQOSA-N 0 3 324.428 3.235 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000252920993 432388506 /nfs/dbraw/zinc/38/85/06/432388506.db2.gz GMYDLCYHVCTWHV-DJIMGWMZSA-N 0 3 304.821 3.337 20 30 DGEDHN C=CCOc1ccc(OC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000192634957 432395793 /nfs/dbraw/zinc/39/57/93/432395793.db2.gz NDVWZIDGIQOQRT-UHFFFAOYSA-N 0 3 301.386 3.031 20 30 DGEDHN C=CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000271446265 432396887 /nfs/dbraw/zinc/39/68/87/432396887.db2.gz NGGAYXTVLLOBED-UHFFFAOYSA-N 0 3 313.357 3.443 20 30 DGEDHN N#CCCCCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271281988 432368215 /nfs/dbraw/zinc/36/82/15/432368215.db2.gz ZQNYILPPYFTMQO-UHFFFAOYSA-N 0 3 301.217 3.482 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2cc(C)sc2C)CC1 ZINC000175385753 432430499 /nfs/dbraw/zinc/43/04/99/432430499.db2.gz RNWOLBOFZSQTLX-UHFFFAOYSA-N 0 3 320.502 3.454 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1C)C1CC1 ZINC000272041394 432434714 /nfs/dbraw/zinc/43/47/14/432434714.db2.gz OPRJNGFAPMSEAI-IFXJQAMLSA-N 0 3 313.445 3.044 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000193072557 432445739 /nfs/dbraw/zinc/44/57/39/432445739.db2.gz RCQYKLRDMZPYDQ-IRXDYDNUSA-N 0 3 312.461 3.241 20 30 DGEDHN CN(CC(=O)Nc1ccccc1SCC#N)C1CCCC1 ZINC000193119351 432452396 /nfs/dbraw/zinc/45/23/96/432452396.db2.gz RJGIGBFFPSBVRY-UHFFFAOYSA-N 0 3 303.431 3.115 20 30 DGEDHN C[C@@H](NCCOc1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000271757614 432424745 /nfs/dbraw/zinc/42/47/45/432424745.db2.gz ABJBUFRXCAAMNV-CQSZACIVSA-N 0 3 314.360 3.458 20 30 DGEDHN C#CC[C@@H](NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000271847039 432426495 /nfs/dbraw/zinc/42/64/95/432426495.db2.gz SDCMEUCVQVGIDH-MRXNPFEDSA-N 0 3 311.381 3.264 20 30 DGEDHN Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271869016 432426984 /nfs/dbraw/zinc/42/69/84/432426984.db2.gz MBPISQZLFVNVNN-HNAYVOBHSA-N 0 3 310.397 3.282 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(CC)CCOCC1)C(C)C ZINC000272211496 432464139 /nfs/dbraw/zinc/46/41/39/432464139.db2.gz FLKYBPRKWQFNCM-KRWDZBQOSA-N 0 3 322.493 3.008 20 30 DGEDHN CC(C)(C)OC(=O)N1CCc2cccc(CNCCCC#N)c21 ZINC000273098810 432549950 /nfs/dbraw/zinc/54/99/50/432549950.db2.gz VFVPROOECLWNOJ-UHFFFAOYSA-N 0 3 315.417 3.378 20 30 DGEDHN CC#CCCCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186059978 432555829 /nfs/dbraw/zinc/55/58/29/432555829.db2.gz BIRVRZHDOSUCHJ-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN CCOc1ccccc1NC(=O)CCN1CCC(C)(C#N)CC1 ZINC000272502436 432514643 /nfs/dbraw/zinc/51/46/43/432514643.db2.gz DSGLVEVSIQXALS-UHFFFAOYSA-N 0 3 315.417 3.040 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185661058 432520507 /nfs/dbraw/zinc/52/05/07/432520507.db2.gz UZJXFDGHSYUORE-HOCLYGCPSA-N 0 3 318.486 3.297 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@H](COc3ccccc3)C2)cc1 ZINC000272558462 432524688 /nfs/dbraw/zinc/52/46/88/432524688.db2.gz LLDNLGAFYHNGFB-SFHVURJKSA-N 0 3 322.408 3.490 20 30 DGEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1Cl)c1cccs1 ZINC000263714176 432568412 /nfs/dbraw/zinc/56/84/12/432568412.db2.gz AIIXHKOVUZGAOE-LBPRGKRZSA-N 0 3 306.822 3.383 20 30 DGEDHN Cc1ccc([C@H](CNCc2ccc(C#N)s2)N2CCCC2)o1 ZINC000176960074 432568793 /nfs/dbraw/zinc/56/87/93/432568793.db2.gz PGJDTIKIQHACSN-INIZCTEOSA-N 0 3 315.442 3.448 20 30 DGEDHN C=CCCC[C@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186233762 432571660 /nfs/dbraw/zinc/57/16/60/432571660.db2.gz YHSYSRGRQUAZBR-JKSUJKDBSA-N 0 3 309.475 3.492 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC000176974733 432571913 /nfs/dbraw/zinc/57/19/13/432571913.db2.gz XPNJOUFWAQLNHN-AWEZNQCLSA-N 0 3 321.446 3.013 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000194876242 432584718 /nfs/dbraw/zinc/58/47/18/432584718.db2.gz HPQSNRKCXQAJRK-GOSISDBHSA-N 0 3 318.392 3.109 20 30 DGEDHN Cc1ccnc(N(C)C2CCN(Cc3ccccc3)CC2)c1C#N ZINC000273391544 432593656 /nfs/dbraw/zinc/59/36/56/432593656.db2.gz UXOVOQGDAUNXQL-UHFFFAOYSA-N 0 3 320.440 3.363 20 30 DGEDHN CC[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)N(CC)CC ZINC000274080555 432633321 /nfs/dbraw/zinc/63/33/21/432633321.db2.gz QPXJBQHCWGDNCP-SJORKVTESA-N 0 3 301.434 3.268 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CC)c2)CC1 ZINC000264335470 432637417 /nfs/dbraw/zinc/63/74/17/432637417.db2.gz APMOARYBKHMSJO-UHFFFAOYSA-N 0 3 301.434 3.411 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC000264346702 432639029 /nfs/dbraw/zinc/63/90/29/432639029.db2.gz ARXUAZVFULSJIY-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccsc1 ZINC000274255164 432643986 /nfs/dbraw/zinc/64/39/86/432643986.db2.gz YPVHVBXLTWKKCE-OAHLLOKOSA-N 0 3 316.386 3.243 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000264435555 432646795 /nfs/dbraw/zinc/64/67/95/432646795.db2.gz VRLZBBFCHUAQQS-GOSISDBHSA-N 0 3 315.461 3.333 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCC)CC1 ZINC000264431790 432647144 /nfs/dbraw/zinc/64/71/44/432647144.db2.gz XHAJKGQPDLPILH-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN C=C1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000264472930 432649597 /nfs/dbraw/zinc/64/95/97/432649597.db2.gz OBILXICBAJVFGC-UHFFFAOYSA-N 0 3 308.809 3.329 20 30 DGEDHN N#Cc1csc(CNC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000177702040 432652592 /nfs/dbraw/zinc/65/25/92/432652592.db2.gz WHOHEAAJLHIWRO-KRWDZBQOSA-N 0 3 311.454 3.374 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000187498951 432667052 /nfs/dbraw/zinc/66/70/52/432667052.db2.gz CHZAQRGZMZZGIR-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN Cc1cccc([C@H]2CCCN2CCOc2ccc(C#N)cc2)n1 ZINC000159804961 432697564 /nfs/dbraw/zinc/69/75/64/432697564.db2.gz YAOSWUDMHBJEEV-LJQANCHMSA-N 0 3 307.397 3.478 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000159937410 432701289 /nfs/dbraw/zinc/70/12/89/432701289.db2.gz ANYVATBEODCMPH-AEFFLSMTSA-N 0 3 313.445 3.033 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@@H](C)CC(C)(C)C)CC1 ZINC000188093055 432703447 /nfs/dbraw/zinc/70/34/47/432703447.db2.gz CQYUXAWBLYAXPR-OAHLLOKOSA-N 0 3 309.498 3.398 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160206071 432710540 /nfs/dbraw/zinc/71/05/40/432710540.db2.gz PFQDHCSPIJOZLH-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000274468822 432672419 /nfs/dbraw/zinc/67/24/19/432672419.db2.gz OAOOKXYKEYTMCD-UHFFFAOYSA-N 0 3 324.468 3.085 20 30 DGEDHN CC#CCCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000274499952 432675795 /nfs/dbraw/zinc/67/57/95/432675795.db2.gz UUQHGBCXSMMMLK-UHFFFAOYSA-N 0 3 324.468 3.229 20 30 DGEDHN C=CCCCCN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000274552338 432680590 /nfs/dbraw/zinc/68/05/90/432680590.db2.gz WTRABHLRHNXHMB-AWEZNQCLSA-N 0 3 314.351 3.048 20 30 DGEDHN COc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc(OC)c1OC ZINC000274586230 432685512 /nfs/dbraw/zinc/68/55/12/432685512.db2.gz DINIQPBHBNBPJR-OUCADQQQSA-N 0 3 304.390 3.055 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)OCC ZINC000274600619 432686835 /nfs/dbraw/zinc/68/68/35/432686835.db2.gz HOCVPKTXXIXHHY-VDZJLULYSA-N 0 3 318.461 3.165 20 30 DGEDHN C=CCCCCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000274623674 432690888 /nfs/dbraw/zinc/69/08/88/432690888.db2.gz XKLBEACHGBXNIO-UHFFFAOYSA-N 0 3 305.344 3.116 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000189098606 432762998 /nfs/dbraw/zinc/76/29/98/432762998.db2.gz GRSHCXKXOBMEMT-GOSISDBHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000178671735 432765045 /nfs/dbraw/zinc/76/50/45/432765045.db2.gz DXBLSGAVXCEYDY-HNNXBMFYSA-N 0 3 301.434 3.080 20 30 DGEDHN C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(C#N)cc1 ZINC000276156683 432778321 /nfs/dbraw/zinc/77/83/21/432778321.db2.gz CTVBASVAYIBAFG-SNVBAGLBSA-N 0 3 304.287 3.126 20 30 DGEDHN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000268042016 432839155 /nfs/dbraw/zinc/83/91/55/432839155.db2.gz YHGJNHJKEKUNHH-KRWDZBQOSA-N 0 3 313.445 3.341 20 30 DGEDHN N#CCOc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000267766190 432836708 /nfs/dbraw/zinc/83/67/08/432836708.db2.gz RMYWMXPQKRRZCY-IAGOWNOFSA-N 0 3 302.443 3.449 20 30 DGEDHN COc1cccc(OC)c1OC1CCN([C@H](C)CCC#N)CC1 ZINC000276318178 432797151 /nfs/dbraw/zinc/79/71/51/432797151.db2.gz OAZLJWCGBJQFQS-CQSZACIVSA-N 0 3 318.417 3.239 20 30 DGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(OC(F)F)c1 ZINC000189581944 432800529 /nfs/dbraw/zinc/80/05/29/432800529.db2.gz KQRLOWVIQVTRIK-NSHDSACASA-N 0 3 305.328 3.349 20 30 DGEDHN N#Cc1ccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)s1 ZINC000189596482 432802196 /nfs/dbraw/zinc/80/21/96/432802196.db2.gz WOMBYMSKUOCNPO-GWCFXTLKSA-N 0 3 318.364 3.193 20 30 DGEDHN CCC[C@@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000245868068 432866529 /nfs/dbraw/zinc/86/65/29/432866529.db2.gz IYKQRQMUDBJMSA-WOJBJXKFSA-N 0 3 324.472 3.416 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245997280 432874074 /nfs/dbraw/zinc/87/40/74/432874074.db2.gz XRPJSIXWZURCJM-RDJZCZTQSA-N 0 3 308.429 3.307 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246056908 432875263 /nfs/dbraw/zinc/87/52/63/432875263.db2.gz YSMXTILUBPZMMZ-GOEBONIOSA-N 0 3 321.490 3.349 20 30 DGEDHN CC(C)(C#N)CCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000277803187 432876331 /nfs/dbraw/zinc/87/63/31/432876331.db2.gz UGBZMMOXMUOXLX-KRWDZBQOSA-N 0 3 313.445 3.270 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCN(c2nccs2)CC1 ZINC000277808173 432876859 /nfs/dbraw/zinc/87/68/59/432876859.db2.gz URUZLVCGBYBXBJ-UHFFFAOYSA-N 0 3 306.479 3.375 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000329919036 432882975 /nfs/dbraw/zinc/88/29/75/432882975.db2.gz RJVKVGQDBAEZIW-IPYPFGDCSA-N 0 3 317.820 3.117 20 30 DGEDHN Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330008935 432887596 /nfs/dbraw/zinc/88/75/96/432887596.db2.gz HACIUCDVQXZWTI-CHWSQXEVSA-N 0 3 319.449 3.361 20 30 DGEDHN CN1CC=C(CNC(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330005698 432887671 /nfs/dbraw/zinc/88/76/71/432887671.db2.gz DKVCHZUXACQMHK-UHFFFAOYSA-N 0 3 319.449 3.130 20 30 DGEDHN Cc1nc(CC2CC2)oc1C(=O)NCCN1CCCC[C@@H]1C ZINC000330016991 432889118 /nfs/dbraw/zinc/88/91/18/432889118.db2.gz QKNXVHXAGPBVJP-LBPRGKRZSA-N 0 3 305.422 3.115 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@H](N2CCCC2)C[C@H]1C)c1ccccc1 ZINC000288191244 432890083 /nfs/dbraw/zinc/89/00/83/432890083.db2.gz CBMNAIZWVFOHGN-QRQLOZEOSA-N 0 3 312.457 3.432 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288226142 432890367 /nfs/dbraw/zinc/89/03/67/432890367.db2.gz FAKLTUTUDHDVNJ-NRFANRHFSA-N 0 3 324.468 3.305 20 30 DGEDHN CC(C)(C)c1cnc(CCC(=O)NC2CCN(C3CC3)CC2)o1 ZINC000330098997 432893300 /nfs/dbraw/zinc/89/33/00/432893300.db2.gz CORYTNBCCRVOLR-UHFFFAOYSA-N 0 3 319.449 3.488 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H](C)C2=CCN(C)CC2)CCCC1(C)C ZINC000278960775 432922247 /nfs/dbraw/zinc/92/22/47/432922247.db2.gz AQFUJTHRRADXML-WBVHZDCISA-N 0 3 319.493 3.413 20 30 DGEDHN CC[C@@H](NCc1ccc(NC(C)=O)nc1)c1ccc(C#N)cc1 ZINC000279066105 432931523 /nfs/dbraw/zinc/93/15/23/432931523.db2.gz LGJWTDOADPZKHX-QGZVFWFLSA-N 0 3 308.385 3.153 20 30 DGEDHN C=CCC[C@H](NC1CCN(C(=O)OCC)CC1)c1ccco1 ZINC000279110624 432935857 /nfs/dbraw/zinc/93/58/57/432935857.db2.gz WCZIALYFXAZXOP-HNNXBMFYSA-N 0 3 306.406 3.497 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000278535580 432896369 /nfs/dbraw/zinc/89/63/69/432896369.db2.gz FPYKXSCWVHCSQM-FUHWJXTLSA-N 0 3 301.409 3.026 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000278535589 432897012 /nfs/dbraw/zinc/89/70/12/432897012.db2.gz FPYKXSCWVHCSQM-WMZOPIPTSA-N 0 3 301.409 3.026 20 30 DGEDHN CCc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330249305 432899970 /nfs/dbraw/zinc/89/99/70/432899970.db2.gz ZTLJVQIUKRUCTQ-VUCTXSBTSA-N 0 3 302.418 3.383 20 30 DGEDHN CC(C)c1nn(C)cc1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000330429123 432908592 /nfs/dbraw/zinc/90/85/92/432908592.db2.gz IEDJOCOOFNALMW-CQSZACIVSA-N 0 3 320.481 3.359 20 30 DGEDHN CNc1snc(C)c1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000330443115 432910296 /nfs/dbraw/zinc/91/02/96/432910296.db2.gz VYEPCIGIYABPIS-LLVKDONJSA-N 0 3 324.494 3.308 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000289088927 432921637 /nfs/dbraw/zinc/92/16/37/432921637.db2.gz UGVRFFVVUGCXOD-SLFFLAALSA-N 0 3 311.425 3.378 20 30 DGEDHN C=C[C@@H](CO)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000289630180 432969518 /nfs/dbraw/zinc/96/95/18/432969518.db2.gz FEGKGHQKRUFGSG-RISCZKNCSA-N 0 3 318.442 3.325 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000289630182 432969702 /nfs/dbraw/zinc/96/97/02/432969702.db2.gz FEGKGHQKRUFGSG-SMDDNHRTSA-N 0 3 318.442 3.325 20 30 DGEDHN Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c(CN(C)C)c1 ZINC000341150954 432976745 /nfs/dbraw/zinc/97/67/45/432976745.db2.gz PULKRTCWZULBAC-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279751820 432991718 /nfs/dbraw/zinc/99/17/18/432991718.db2.gz QHMBDHRCFIBQIW-HNAYVOBHSA-N 0 3 317.392 3.460 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000279802871 432992364 /nfs/dbraw/zinc/99/23/64/432992364.db2.gz WNPHXTPCEMVJBJ-HNAYVOBHSA-N 0 3 317.392 3.160 20 30 DGEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000279810125 432992516 /nfs/dbraw/zinc/99/25/16/432992516.db2.gz XEPCLDVCMOSQAT-BEFAXECRSA-N 0 3 310.397 3.455 20 30 DGEDHN N#CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289404126 432954988 /nfs/dbraw/zinc/95/49/88/432954988.db2.gz AISCTYDCOSBVTR-ROUUACIJSA-N 0 3 312.413 3.122 20 30 DGEDHN CC(C)(C)[C@H](NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O ZINC000298033268 433042810 /nfs/dbraw/zinc/04/28/10/433042810.db2.gz BZQRLGZDKYFRMK-GOSISDBHSA-N 0 3 321.424 3.215 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCC(C)(C)CC#N ZINC000459262344 289135693 /nfs/dbraw/zinc/13/56/93/289135693.db2.gz UXKRYEOOSHHIKM-UHFFFAOYSA-N 0 3 322.497 3.080 20 30 DGEDHN C=CCC(F)(F)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000298294641 433080683 /nfs/dbraw/zinc/08/06/83/433080683.db2.gz IDTCTZHDCYHGHO-CQSZACIVSA-N 0 3 306.356 3.209 20 30 DGEDHN N#Cc1cccc(CCNCc2cccc3c2OCCCO3)c1 ZINC000341475249 433081657 /nfs/dbraw/zinc/08/16/57/433081657.db2.gz XATMXBUHEWANNP-UHFFFAOYSA-N 0 3 308.381 3.052 20 30 DGEDHN CCc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280561373 433084065 /nfs/dbraw/zinc/08/40/65/433084065.db2.gz UYJCVMKIVIIKIL-LJQANCHMSA-N 0 3 317.392 3.119 20 30 DGEDHN COc1ccc(CN(CCCC#N)CCc2ccccn2)cc1 ZINC000280574228 433094124 /nfs/dbraw/zinc/09/41/24/433094124.db2.gz SFUPWJZCYXOHAG-UHFFFAOYSA-N 0 3 309.413 3.439 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000453331649 433095772 /nfs/dbraw/zinc/09/57/72/433095772.db2.gz CCKUADJYFOGMBV-XPKDYRNWSA-N 0 3 320.389 3.378 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000425198715 433122393 /nfs/dbraw/zinc/12/23/93/433122393.db2.gz GANAKDCLQLSJPJ-INIZCTEOSA-N 0 3 324.384 3.051 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000453372889 433129127 /nfs/dbraw/zinc/12/91/27/433129127.db2.gz VJOCLQSGUSPWBO-PWSUYJOCSA-N 0 3 303.324 3.405 20 30 DGEDHN N#Cc1ncccc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000290695862 433139886 /nfs/dbraw/zinc/13/98/86/433139886.db2.gz VGCVLCMAHHPSAS-CQSZACIVSA-N 0 3 312.442 3.339 20 30 DGEDHN CCCCCCCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373295343 433145282 /nfs/dbraw/zinc/14/52/82/433145282.db2.gz VLXFXENOTJRWKR-MRXNPFEDSA-N 0 3 310.482 3.059 20 30 DGEDHN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(C)C#N ZINC000447064073 433149961 /nfs/dbraw/zinc/14/99/61/433149961.db2.gz SWGVKURPIJUONF-CMPLNLGQSA-N 0 3 321.218 3.272 20 30 DGEDHN C=CCc1cc(CN(C)Cc2ccc(O)cc2)cc(OC)c1O ZINC000290567120 433101338 /nfs/dbraw/zinc/10/13/38/433101338.db2.gz SULIVMDKNIHQAC-UHFFFAOYSA-N 0 3 313.397 3.467 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000425120816 433102924 /nfs/dbraw/zinc/10/29/24/433102924.db2.gz BDUQKPGKBZVGRU-FPCVCCKLSA-N 0 3 313.445 3.339 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412242820 433118720 /nfs/dbraw/zinc/11/87/20/433118720.db2.gz DTMZBZGPBKDZFP-OWCLPIDISA-N 0 3 304.434 3.098 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cccnc1C#N ZINC000290806441 433174892 /nfs/dbraw/zinc/17/48/92/433174892.db2.gz QNXQIEUSIIDDFQ-RDJZCZTQSA-N 0 3 306.413 3.276 20 30 DGEDHN N#Cc1cc(N2CCN(C3CCC3)CC2)ccc1C(F)(F)F ZINC000336889859 433197912 /nfs/dbraw/zinc/19/79/12/433197912.db2.gz GRGVMPVLBLVDFH-UHFFFAOYSA-N 0 3 309.335 3.252 20 30 DGEDHN CN(C)c1noc([C@@H]2CCCN(CCCCC(C)(C)C#N)C2)n1 ZINC000374528525 433213526 /nfs/dbraw/zinc/21/35/26/433213526.db2.gz FPVBAJHGUBZRFO-CQSZACIVSA-N 0 3 319.453 3.035 20 30 DGEDHN C=CCOc1ccc(CNCCc2cnc(C)cn2)cc1Cl ZINC000453597980 433222319 /nfs/dbraw/zinc/22/23/19/433222319.db2.gz OVJCAQUKUIZKLU-UHFFFAOYSA-N 0 3 317.820 3.336 20 30 DGEDHN C=CCC[C@@H](CO)NCc1sc(C)cc1Br ZINC000453603783 433228718 /nfs/dbraw/zinc/22/87/18/433228718.db2.gz VDPSQQVLFPPLPM-JTQLQIEISA-N 0 3 304.253 3.236 20 30 DGEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000341714536 433230951 /nfs/dbraw/zinc/23/09/51/433230951.db2.gz UHWASSAGXKSWGR-KRWDZBQOSA-N 0 3 308.381 3.440 20 30 DGEDHN C#CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000291397181 433238888 /nfs/dbraw/zinc/23/88/88/433238888.db2.gz DIQYLYUFGHCXAU-CQSZACIVSA-N 0 3 311.381 3.264 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000291397181 433238898 /nfs/dbraw/zinc/23/88/98/433238898.db2.gz DIQYLYUFGHCXAU-CQSZACIVSA-N 0 3 311.381 3.264 20 30 DGEDHN CC[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)N(C)C ZINC000298777925 433244447 /nfs/dbraw/zinc/24/44/47/433244447.db2.gz DKFDWSNRJZSZJG-VXGBXAGGSA-N 0 3 314.216 3.014 20 30 DGEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC000453620990 433244754 /nfs/dbraw/zinc/24/47/54/433244754.db2.gz LIQWLIDBNYVILQ-SFHVURJKSA-N 0 3 300.402 3.112 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000280995716 433246581 /nfs/dbraw/zinc/24/65/81/433246581.db2.gz LFVXYNAYGFJQEU-QGZVFWFLSA-N 0 3 315.461 3.305 20 30 DGEDHN C[C@H](NCCC(=O)Nc1ccccc1F)c1ccc(C#N)cc1 ZINC000337683256 433249718 /nfs/dbraw/zinc/24/97/18/433249718.db2.gz WSTNXROFOHVGPW-ZDUSSCGKSA-N 0 3 311.360 3.377 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1N1CCN(C2CCCC2)CC1 ZINC000413037706 433258018 /nfs/dbraw/zinc/25/80/18/433258018.db2.gz FXAFTNCQUYJVNY-UHFFFAOYSA-N 0 3 324.350 3.037 20 30 DGEDHN COC1(C)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000354794647 433281769 /nfs/dbraw/zinc/28/17/69/433281769.db2.gz PYTSPMMFZPISCX-UHFFFAOYSA-N 0 3 302.418 3.370 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000281388576 433293662 /nfs/dbraw/zinc/29/36/62/433293662.db2.gz OWXPBSDRMNVARJ-HNNXBMFYSA-N 0 3 307.438 3.016 20 30 DGEDHN CCN(C[C@@H](O)COc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299009406 433297281 /nfs/dbraw/zinc/29/72/81/433297281.db2.gz COWYPHXCFUSQPZ-QFBILLFUSA-N 0 3 324.424 3.381 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2ccc(C#N)s2)C1 ZINC000281395490 433298112 /nfs/dbraw/zinc/29/81/12/433298112.db2.gz XCZFLEPDZWGXEO-VZEFYGNVSA-N 0 3 304.459 3.381 20 30 DGEDHN CO[C@@](C)([C@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000413965028 433325825 /nfs/dbraw/zinc/32/58/25/433325825.db2.gz WLPBJFSBYOUPKP-QOKNQOGYSA-N 0 3 314.429 3.079 20 30 DGEDHN CC[C@@H]1[C@H](C)CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883723 433310079 /nfs/dbraw/zinc/31/00/79/433310079.db2.gz USNSVSQSHVJWDC-ZTFGCOKTSA-N 0 3 311.429 3.174 20 30 DGEDHN Cc1nc(NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1C#N ZINC000291775147 433347029 /nfs/dbraw/zinc/34/70/29/433347029.db2.gz CBUBSAXNVUMNAD-HNNXBMFYSA-N 0 3 321.428 3.294 20 30 DGEDHN COc1cc(CNCCc2csc(C(C)C)n2)ccc1C#N ZINC000281725023 433360700 /nfs/dbraw/zinc/36/07/00/433360700.db2.gz PKRUHDXIMGRMTK-UHFFFAOYSA-N 0 3 315.442 3.479 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291814711 433360753 /nfs/dbraw/zinc/36/07/53/433360753.db2.gz NPTOWIGYTGZOMZ-OXJNMPFZSA-N 0 3 306.409 3.255 20 30 DGEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000361753508 433373114 /nfs/dbraw/zinc/37/31/14/433373114.db2.gz JXYWLJHGHFZTCJ-ZIAGYGMSSA-N 0 3 310.344 3.207 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447987925 433341247 /nfs/dbraw/zinc/34/12/47/433341247.db2.gz GMTQNRALDZOQOW-INIZCTEOSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000375319994 433426042 /nfs/dbraw/zinc/42/60/42/433426042.db2.gz MNISFTAMZPIPJI-FHLIZLRMSA-N 0 3 300.402 3.121 20 30 DGEDHN CC1(C)CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000301151769 433432905 /nfs/dbraw/zinc/43/29/05/433432905.db2.gz ANEMFWLWQMSGBQ-UHFFFAOYSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000375297187 433417244 /nfs/dbraw/zinc/41/72/44/433417244.db2.gz IIBQTQNHCZCATD-HNAYVOBHSA-N 0 3 314.429 3.368 20 30 DGEDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCC(C)(C)CC#N ZINC000414162518 433434046 /nfs/dbraw/zinc/43/40/46/433434046.db2.gz HGXFDYKLGIVULC-LBPRGKRZSA-N 0 3 303.406 3.244 20 30 DGEDHN Cc1n[nH]cc1C1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000375361886 433436814 /nfs/dbraw/zinc/43/68/14/433436814.db2.gz NOOFSCQKUZZEBR-UHFFFAOYSA-N 0 3 324.428 3.238 20 30 DGEDHN C=CCC1(CNC(=O)NC2CCN(CC(=C)C)CC2)CCCC1 ZINC000454471808 433441224 /nfs/dbraw/zinc/44/12/24/433441224.db2.gz ZMETXTJMKWGTJJ-UHFFFAOYSA-N 0 3 319.493 3.463 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000426211432 433442366 /nfs/dbraw/zinc/44/23/66/433442366.db2.gz BWVCSZWBGCOBCH-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)c1nnc(CCN[C@H](C)c2cccc(C#N)c2)s1 ZINC000426308276 433460624 /nfs/dbraw/zinc/46/06/24/433460624.db2.gz DIQJVNYRDJSJCG-GFCCVEGCSA-N 0 3 300.431 3.426 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463533 433472834 /nfs/dbraw/zinc/47/28/34/433472834.db2.gz CLQFZZVSPNDKNE-MLGOLLRUSA-N 0 3 308.385 3.369 20 30 DGEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)c1ccccc1 ZINC000292156205 433483283 /nfs/dbraw/zinc/48/32/83/433483283.db2.gz KNTHZASDFGBQCS-BEFAXECRSA-N 0 3 313.445 3.266 20 30 DGEDHN C[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000414304343 433528049 /nfs/dbraw/zinc/52/80/49/433528049.db2.gz XTXXKODGOYTXKU-WBMJQRKESA-N 0 3 316.351 3.263 20 30 DGEDHN CN(C)C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000421357700 433498868 /nfs/dbraw/zinc/49/88/68/433498868.db2.gz PZLOGGPVKPGLSW-SFHVURJKSA-N 0 3 315.367 3.229 20 30 DGEDHN N#Cc1cc(CN2CCC[C@@]2(CO)Cc2ccccc2)ccc1F ZINC000355673350 433554637 /nfs/dbraw/zinc/55/46/37/433554637.db2.gz PWPWUMUEEOOSCF-FQEVSTJZSA-N 0 3 324.399 3.267 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292375376 433560964 /nfs/dbraw/zinc/56/09/64/433560964.db2.gz YUZKOGQZMJCFQC-KDOFPFPSSA-N 0 3 318.380 3.039 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000456011698 433562066 /nfs/dbraw/zinc/56/20/66/433562066.db2.gz VFLBVBQMCIGXAD-HIFRSBDPSA-N 0 3 314.433 3.109 20 30 DGEDHN COCCN(Cc1cn2ccccc2c1C#N)[C@H]1CC[C@H](C)C1 ZINC000362171069 433562297 /nfs/dbraw/zinc/56/22/97/433562297.db2.gz VSQIMSAOFCQCNI-RDJZCZTQSA-N 0 3 311.429 3.448 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000448828373 433572746 /nfs/dbraw/zinc/57/27/46/433572746.db2.gz MICYABQUAHUSDQ-QGZVFWFLSA-N 0 3 300.446 3.460 20 30 DGEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000362188910 433576129 /nfs/dbraw/zinc/57/61/29/433576129.db2.gz ILMVXGXSTJROAI-GOSISDBHSA-N 0 3 314.429 3.306 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cc4ccccc4o3)C2)nc1 ZINC000292300407 433544632 /nfs/dbraw/zinc/54/46/32/433544632.db2.gz UTLDQCQFBPEYDQ-MRXNPFEDSA-N 0 3 319.364 3.353 20 30 DGEDHN CCCN(CCC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000355469189 433546080 /nfs/dbraw/zinc/54/60/80/433546080.db2.gz XTEJZXHEWCSIER-MRXNPFEDSA-N 0 3 301.434 3.444 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282268581 433546262 /nfs/dbraw/zinc/54/62/62/433546262.db2.gz AJBWFXYLFDXPOW-KSSFIOAISA-N 0 3 309.413 3.160 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000362146625 433547814 /nfs/dbraw/zinc/54/78/14/433547814.db2.gz BVEJUKOXHIUZAB-RHSMWYFYSA-N 0 3 302.418 3.204 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)cn1 ZINC000301607660 433634296 /nfs/dbraw/zinc/63/42/96/433634296.db2.gz ZIPFCIDGQBWARG-QAPCUYQASA-N 0 3 306.413 3.276 20 30 DGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000301545843 433602004 /nfs/dbraw/zinc/60/20/04/433602004.db2.gz UBPGAKCPRXGKFK-UHFFFAOYSA-N 0 3 305.378 3.056 20 30 DGEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000356570427 433617972 /nfs/dbraw/zinc/61/79/72/433617972.db2.gz XJIROEVXESFURK-VIFPVBQESA-N 0 3 300.280 3.096 20 30 DGEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000282751525 433626897 /nfs/dbraw/zinc/62/68/97/433626897.db2.gz AUQUXPIRAVYSEJ-TUKIKUTGSA-N 0 3 323.234 3.154 20 30 DGEDHN C=CCC(F)(F)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000293231424 433664369 /nfs/dbraw/zinc/66/43/69/433664369.db2.gz SNMPSGOVUYVHLF-UHFFFAOYSA-N 0 3 323.343 3.345 20 30 DGEDHN C=CC1CCN(C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449036557 433697449 /nfs/dbraw/zinc/69/74/49/433697449.db2.gz UTBDDYVEJQEXJS-AWEZNQCLSA-N 0 3 307.459 3.092 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000362402300 433697724 /nfs/dbraw/zinc/69/77/24/433697724.db2.gz LBQWQFVNLILGDE-HIFRSBDPSA-N 0 3 304.459 3.177 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000356802034 433704407 /nfs/dbraw/zinc/70/44/07/433704407.db2.gz GCRYVKLGIBNNFQ-FUHWJXTLSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710957 433699482 /nfs/dbraw/zinc/69/94/82/433699482.db2.gz NGLWQXZNRVAXBF-AWEZNQCLSA-N 0 3 304.459 3.131 20 30 DGEDHN COc1ccc(CN2CC3(CCOCC3)[C@H]2C(C)C)cc1C#N ZINC000414544456 433706026 /nfs/dbraw/zinc/70/60/26/433706026.db2.gz VCWGXDVMEOXKQF-GOSISDBHSA-N 0 3 314.429 3.204 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000293362590 433713327 /nfs/dbraw/zinc/71/33/27/433713327.db2.gz FDRULRAWRXBKKP-FQEVSTJZSA-N 0 3 324.399 3.265 20 30 DGEDHN CSc1ccc([C@@H](CNCc2ccc(C#N)o2)N(C)C)cc1 ZINC000293407728 433730101 /nfs/dbraw/zinc/73/01/01/433730101.db2.gz MEUDAFXOBIXWMJ-QGZVFWFLSA-N 0 3 315.442 3.266 20 30 DGEDHN COc1ccccc1[C@H]1CC[C@@H](C)CN1CCOCCC#N ZINC000293445008 433740656 /nfs/dbraw/zinc/74/06/56/433740656.db2.gz CENITBZIZSMTKH-NVXWUHKLSA-N 0 3 302.418 3.398 20 30 DGEDHN C=CCOc1ccc(CN2CCCC[C@H]2COC)cc1OC ZINC000449761411 433771931 /nfs/dbraw/zinc/77/19/31/433771931.db2.gz XFPXEYYRDHQNNN-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000428190748 433751981 /nfs/dbraw/zinc/75/19/81/433751981.db2.gz NZKJOEAYACKSDF-YBWDHNITSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCC(F)(F)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000293477827 433754113 /nfs/dbraw/zinc/75/41/13/433754113.db2.gz MFFJKRCUZMQKDE-UHFFFAOYSA-N 0 3 322.399 3.021 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000449702060 433764807 /nfs/dbraw/zinc/76/48/07/433764807.db2.gz YCAAEBPDKKIOIL-CYBMUJFWSA-N 0 3 304.415 3.243 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)NC(C)(C)CC ZINC000356835491 433722782 /nfs/dbraw/zinc/72/27/82/433722782.db2.gz USMIREQGSUNSSL-ZDUSSCGKSA-N 0 3 316.449 3.485 20 30 DGEDHN CCC[C@H]1CN(c2cc(Cl)ccc2C#N)CCN1CCOC ZINC000301911475 433793191 /nfs/dbraw/zinc/79/31/91/433793191.db2.gz GMIRDMNKDNMJOK-INIZCTEOSA-N 0 3 321.852 3.149 20 30 DGEDHN C=C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000362642023 433803173 /nfs/dbraw/zinc/80/31/73/433803173.db2.gz OJAAZSZYOISAJC-LSDHHAIUSA-N 0 3 301.434 3.086 20 30 DGEDHN N#Cc1ccc(CN(CCO)C2CCCCC2)c(OC(F)F)c1 ZINC000339826213 433807950 /nfs/dbraw/zinc/80/79/50/433807950.db2.gz HMZAQCXAKCXMLM-UHFFFAOYSA-N 0 3 324.371 3.287 20 30 DGEDHN Cc1c(Cl)cnc(NC[C@@H](C)N2CCCC[C@H]2C)c1C#N ZINC000343508029 433811372 /nfs/dbraw/zinc/81/13/72/433811372.db2.gz IETKKEKVGQKBLN-VXGBXAGGSA-N 0 3 306.841 3.590 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1nc2ccccn2c1C#N ZINC000302181288 433817892 /nfs/dbraw/zinc/81/78/92/433817892.db2.gz NVIUIHDICHBLTG-OAHLLOKOSA-N 0 3 319.412 3.138 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](CC)O1 ZINC000421988206 433832688 /nfs/dbraw/zinc/83/26/88/433832688.db2.gz UUKHYKBEANEGAO-RCCFBDPRSA-N 0 3 314.429 3.175 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3cccnc3s2)CC1 ZINC000449846042 433833439 /nfs/dbraw/zinc/83/34/39/433833439.db2.gz VDQOLMQCMREELB-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000357113612 433868619 /nfs/dbraw/zinc/86/86/19/433868619.db2.gz GBJQNCIRLUTKCG-CYBMUJFWSA-N 0 3 317.433 3.451 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(C#N)cccc1C#N ZINC000302906933 433904564 /nfs/dbraw/zinc/90/45/64/433904564.db2.gz XIBJHOVFECFOER-DNVCBOLYSA-N 0 3 316.408 3.362 20 30 DGEDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2ccc(C#N)s2)C1 ZINC000362921220 433906920 /nfs/dbraw/zinc/90/69/20/433906920.db2.gz AVOISQIKQVICAI-STQMWFEESA-N 0 3 319.474 3.106 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000284999345 433915890 /nfs/dbraw/zinc/91/58/90/433915890.db2.gz JHKODPKCBFVFNZ-SJORKVTESA-N 0 3 317.429 3.403 20 30 DGEDHN Cc1cccc(CN(C)C(=O)C(C#N)CCc2ccccc2)n1 ZINC000456989966 433921100 /nfs/dbraw/zinc/92/11/00/433921100.db2.gz VOLWHRXGTZROTL-QGZVFWFLSA-N 0 3 307.397 3.121 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000285223429 433925069 /nfs/dbraw/zinc/92/50/69/433925069.db2.gz UXBYQRLOMUAEEY-LJQANCHMSA-N 0 3 313.445 3.016 20 30 DGEDHN C#Cc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000377620677 433928805 /nfs/dbraw/zinc/92/88/05/433928805.db2.gz WCCPFMBVRZTIBN-QGZVFWFLSA-N 0 3 324.468 3.138 20 30 DGEDHN C=CCc1cc(CN2CCNCc3ccccc32)cc(OC)c1O ZINC000414851773 433881231 /nfs/dbraw/zinc/88/12/31/433881231.db2.gz VBGHNRQMNPDMCV-UHFFFAOYSA-N 0 3 324.424 3.239 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Cl)ccn1)C(C)C ZINC000344782470 433882138 /nfs/dbraw/zinc/88/21/38/433882138.db2.gz GHNPVLWIIZLZCS-INIZCTEOSA-N 0 3 321.852 3.163 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000303713122 433960989 /nfs/dbraw/zinc/96/09/89/433960989.db2.gz ZKAIBYHYQQSLOD-JKSUJKDBSA-N 0 3 307.482 3.143 20 30 DGEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2cc(C#N)cs2)cc1 ZINC000357356798 433969287 /nfs/dbraw/zinc/96/92/87/433969287.db2.gz QFAXEWBUENLKLD-SJCJKPOMSA-N 0 3 316.426 3.494 20 30 DGEDHN COc1ccc(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)cc1C#N ZINC000340195978 433977903 /nfs/dbraw/zinc/97/79/03/433977903.db2.gz ILBSTQXXQOKHMR-WMZOPIPTSA-N 0 3 302.418 3.202 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)[C@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457089202 433981021 /nfs/dbraw/zinc/98/10/21/433981021.db2.gz LBQOAZPKXPDUIQ-WMZOPIPTSA-N 0 3 300.446 3.287 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(OC)c(C#N)c2)C1(C)C ZINC000340196746 433981592 /nfs/dbraw/zinc/98/15/92/433981592.db2.gz HXKOVUPENOJARW-SJORKVTESA-N 0 3 302.418 3.202 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)[C@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457095675 433983050 /nfs/dbraw/zinc/98/30/50/433983050.db2.gz PZPIKQBKSMMCSK-ZWKOTPCHSA-N 0 3 300.446 3.287 20 30 DGEDHN CC(C)[C@H](O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000304226375 433988410 /nfs/dbraw/zinc/98/84/10/433988410.db2.gz LDGYRVAGUCUPRW-HXUWFJFHSA-N 0 3 324.424 3.244 20 30 DGEDHN CCC[C@@]1(CO)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000377842026 434016325 /nfs/dbraw/zinc/01/63/25/434016325.db2.gz GJZFDYRBICDJLW-LJQANCHMSA-N 0 3 316.445 3.354 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)[C@](C)(C#N)CC)c1ccccc1 ZINC000285664585 434032090 /nfs/dbraw/zinc/03/20/90/434032090.db2.gz YYFWSKDRNSDSKL-WMZOPIPTSA-N 0 3 301.434 3.126 20 30 DGEDHN C[C@@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000416139561 434033049 /nfs/dbraw/zinc/03/30/49/434033049.db2.gz QNKWGXWTQKWJSK-BEFAXECRSA-N 0 3 321.424 3.428 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285686151 434038855 /nfs/dbraw/zinc/03/88/55/434038855.db2.gz VDCHBHCXHSJHNX-IUODEOHRSA-N 0 3 312.335 3.399 20 30 DGEDHN C=CC[C@@H](CC)NCc1ncc(I)s1 ZINC000285825348 434078588 /nfs/dbraw/zinc/07/85/88/434078588.db2.gz GXXKNQDDDLWYEL-MRVPVSSYSA-N 0 3 322.215 3.192 20 30 DGEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC000305859562 434086634 /nfs/dbraw/zinc/08/66/34/434086634.db2.gz XOCLTKVDECGBSX-HKUYNNGSSA-N 0 3 316.445 3.352 20 30 DGEDHN CC(C)(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000294234708 434050662 /nfs/dbraw/zinc/05/06/62/434050662.db2.gz RTRHBVLYRADXAP-INIZCTEOSA-N 0 3 309.413 3.183 20 30 DGEDHN CC[C@@H]1CCCCN1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450328041 434107154 /nfs/dbraw/zinc/10/71/54/434107154.db2.gz FYNURVJJIRROLE-CQSZACIVSA-N 0 3 302.378 3.143 20 30 DGEDHN CSc1ccc([C@H](CNC(=O)CC(C)(C)C#N)N(C)C)cc1 ZINC000294572804 434121333 /nfs/dbraw/zinc/12/13/33/434121333.db2.gz WBBZPMUNXMFNOJ-HNNXBMFYSA-N 0 3 319.474 3.067 20 30 DGEDHN N#Cc1ccc(OCCN2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000505890054 294258146 /nfs/dbraw/zinc/25/81/46/294258146.db2.gz MTKRQKDNVFTJTA-GOSISDBHSA-N 0 3 322.408 3.338 20 30 DGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(C#N)o2)CC1 ZINC000340437830 434129717 /nfs/dbraw/zinc/12/97/17/434129717.db2.gz RCUSWUIFWDENGF-CQSZACIVSA-N 0 3 323.396 3.107 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000286169062 434185921 /nfs/dbraw/zinc/18/59/21/434185921.db2.gz OMYXDQGDOFQAHM-KYOSRNDESA-N 0 3 303.406 3.263 20 30 DGEDHN C[C@@H](N(C)CC#Cc1ccc(OC(F)(F)F)cc1)C(C)(C)O ZINC000295085508 434189854 /nfs/dbraw/zinc/18/98/54/434189854.db2.gz DULOSKARVBGJKZ-GFCCVEGCSA-N 0 3 315.335 3.028 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)ccc1Cl ZINC000437258438 434240571 /nfs/dbraw/zinc/24/05/71/434240571.db2.gz NTBHKPQDNJLQMN-BBRMVZONSA-N 0 3 323.820 3.197 20 30 DGEDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000379673654 434257350 /nfs/dbraw/zinc/25/73/50/434257350.db2.gz RHKYQQONFXESTJ-KXBFYZLASA-N 0 3 320.440 3.727 20 30 DGEDHN Cc1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1C ZINC000357967370 434268648 /nfs/dbraw/zinc/26/86/48/434268648.db2.gz WZQGROANLXLVMI-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN Cc1ccnc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1C#N ZINC000323961943 434270618 /nfs/dbraw/zinc/27/06/18/434270618.db2.gz ADXKEGPWYLYXCO-MRXNPFEDSA-N 0 3 320.440 3.220 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381405220 434272383 /nfs/dbraw/zinc/27/23/83/434272383.db2.gz WIUQFGUULROLRV-QWRGUYRKSA-N 0 3 309.435 3.011 20 30 DGEDHN C#CCCOc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000295136221 434224892 /nfs/dbraw/zinc/22/48/92/434224892.db2.gz YWKVCDRMXFHFBI-FQEVSTJZSA-N 0 3 309.409 3.254 20 30 DGEDHN CCCCCCCCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365119493 434287338 /nfs/dbraw/zinc/28/73/38/434287338.db2.gz ZYEMURPMGMVKAK-KRWDZBQOSA-N 0 3 324.509 3.449 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000365247232 434290269 /nfs/dbraw/zinc/29/02/69/434290269.db2.gz ZWPZICZPERRYOO-SFHVURJKSA-N 0 3 304.409 3.439 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)CCOCc1ccccc1 ZINC000384308339 434292045 /nfs/dbraw/zinc/29/20/45/434292045.db2.gz CBMOYEJFHLAUEW-UHFFFAOYSA-N 0 3 324.424 3.476 20 30 DGEDHN CC(C)(C)c1nnc(CNC(=O)C2CCN(C3CC3)CC2)s1 ZINC000328706038 434299432 /nfs/dbraw/zinc/29/94/32/434299432.db2.gz AGIWTRODVZGVSD-UHFFFAOYSA-N 0 3 322.478 3.167 20 30 DGEDHN C[C@@H](CCC(C)(C)C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000386102727 434304736 /nfs/dbraw/zinc/30/47/36/434304736.db2.gz ILCNXKJPGWQIAK-AWEZNQCLSA-N 0 3 322.474 3.136 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC000328785797 434313072 /nfs/dbraw/zinc/31/30/72/434313072.db2.gz OLEIRYVEGASSHX-DKSSEZFCSA-N 0 3 316.445 3.330 20 30 DGEDHN C=CCCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000365847449 434314405 /nfs/dbraw/zinc/31/44/05/434314405.db2.gz YIKIAYZCEUWGEC-UHFFFAOYSA-N 0 3 300.446 3.432 20 30 DGEDHN CC1CCN(CCNC(=O)Nc2scnc2C2CC2)CC1 ZINC000328907907 434326313 /nfs/dbraw/zinc/32/63/13/434326313.db2.gz CNBJHUMLEQWFLZ-UHFFFAOYSA-N 0 3 308.451 3.078 20 30 DGEDHN C=CCC[C@@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1ccco1 ZINC000287510802 434379723 /nfs/dbraw/zinc/37/97/23/434379723.db2.gz ODHJHBMBLYXDEZ-HZPDHXFCSA-N 0 3 314.433 3.279 20 30 DGEDHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1cc2ccccc2o1 ZINC000329300466 434389586 /nfs/dbraw/zinc/38/95/86/434389586.db2.gz MLLQIIVZJYNJHK-JSGCOSHPSA-N 0 3 313.401 3.234 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1cc(C#N)ccn1 ZINC000287414423 434358767 /nfs/dbraw/zinc/35/87/67/434358767.db2.gz SZDOMBOWMOYYFV-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000366529896 434443226 /nfs/dbraw/zinc/44/32/26/434443226.db2.gz NPIOLZINSMFMNW-CRAIPNDOSA-N 0 3 314.429 3.226 20 30 DGEDHN C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C1=CCN(C)CC1 ZINC000329336191 434394957 /nfs/dbraw/zinc/39/49/57/434394957.db2.gz LPLQVTFUNLJEIT-AWEZNQCLSA-N 0 3 309.413 3.197 20 30 DGEDHN C[C@H](CNC(=O)c1cc2nc[nH]c2cc1F)N1CCC[C@@H](C)C1 ZINC000329403471 434404909 /nfs/dbraw/zinc/40/49/09/434404909.db2.gz WSXHGCRILADYLJ-VXGBXAGGSA-N 0 3 318.396 3.127 20 30 DGEDHN CC[C@H](NCC(=O)N1Cc2ccccc2C1)c1ccc(C#N)cc1 ZINC000359080801 434413603 /nfs/dbraw/zinc/41/36/03/434413603.db2.gz JZZLVECHTAWLBL-IBGZPJMESA-N 0 3 319.408 3.141 20 30 DGEDHN CC(=O)NC1CCC(NC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000329465931 434416958 /nfs/dbraw/zinc/41/69/58/434416958.db2.gz RQNZIPRPLIKBGA-GPANFISMSA-N 0 3 307.438 3.105 20 30 DGEDHN C=CCC[C@H](NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccco1 ZINC000287643611 434419248 /nfs/dbraw/zinc/41/92/48/434419248.db2.gz URMMJIJDTQRGAK-BQFCYCMXSA-N 0 3 319.445 3.444 20 30 DGEDHN CC[C@@H](C)N[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccco1 ZINC000359538417 434419997 /nfs/dbraw/zinc/41/99/97/434419997.db2.gz BAQZTCVQORKPKM-HUUCEWRRSA-N 0 3 317.433 3.299 20 30 DGEDHN Cn1cc(CN[C@@H](Cc2ccccn2)c2ccccc2)cc1C#N ZINC000359671288 434421820 /nfs/dbraw/zinc/42/18/20/434421820.db2.gz AJPXJFKSKYEGJG-FQEVSTJZSA-N 0 3 316.408 3.365 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000248849165 294819779 /nfs/dbraw/zinc/81/97/79/294819779.db2.gz ONLNTUDDLMSFOP-BPQIPLTHSA-N 0 3 311.429 3.022 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000296024428 434481356 /nfs/dbraw/zinc/48/13/56/434481356.db2.gz PSDQGHALNQAWFU-BRWVUGGUSA-N 0 3 302.466 3.177 20 30 DGEDHN C[C@@]1(NCc2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000406044141 434530332 /nfs/dbraw/zinc/53/03/32/434530332.db2.gz TZAHOGIRMDJPNJ-GOSISDBHSA-N 0 3 311.454 3.374 20 30 DGEDHN N#Cc1ccnc(N2CCCC[C@H](N3CCCC3)C2)c1Cl ZINC000342199584 294978077 /nfs/dbraw/zinc/97/80/77/294978077.db2.gz INBBHOQLVLLNCM-AWEZNQCLSA-N 0 3 304.825 3.061 20 30 DGEDHN CC(C)[C@@]1(CO)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000367969115 434562945 /nfs/dbraw/zinc/56/29/45/434562945.db2.gz ZRVLVNCILUYUDM-IBGZPJMESA-N 0 3 316.445 3.210 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000368494278 434574212 /nfs/dbraw/zinc/57/42/12/434574212.db2.gz FHQVNXQSVTZTEV-DGCLKSJQSA-N 0 3 302.846 3.364 20 30 DGEDHN CC1CCC(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000360357073 434586833 /nfs/dbraw/zinc/58/68/33/434586833.db2.gz YDSGBNDTEJZERS-UHFFFAOYSA-N 0 3 324.472 3.143 20 30 DGEDHN N#CC1(c2ccccn2)CCN(CCCC2CCOCC2)CC1 ZINC000369203032 434590532 /nfs/dbraw/zinc/59/05/32/434590532.db2.gz BDMNAFRIWIOIFV-UHFFFAOYSA-N 0 3 313.445 3.146 20 30 DGEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H](O)c1cccc(F)c1 ZINC000370474866 434614059 /nfs/dbraw/zinc/61/40/59/434614059.db2.gz CMZJXXATAIMVTC-UYSIFVEPSA-N 0 3 324.399 3.461 20 30 DGEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424070117 434614813 /nfs/dbraw/zinc/61/48/13/434614813.db2.gz RKCDKFQJIPRGOB-HUUCEWRRSA-N 0 3 307.825 3.174 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000424068091 434615837 /nfs/dbraw/zinc/61/58/37/434615837.db2.gz QZINRNLZCVFYSU-MOPGFXCFSA-N 0 3 321.424 3.108 20 30 DGEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@@H](CC)c1ccccc1 ZINC000424084165 434616813 /nfs/dbraw/zinc/61/68/13/434616813.db2.gz DOAVDXYYHGVTAA-SJORKVTESA-N 0 3 301.434 3.397 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000424085169 434617619 /nfs/dbraw/zinc/61/76/19/434617619.db2.gz FOCAFNCWWMJRQH-GJZGRUSLSA-N 0 3 305.809 3.025 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000424089055 434620664 /nfs/dbraw/zinc/62/06/64/434620664.db2.gz ADYKBTQHKVSDLW-SFHVURJKSA-N 0 3 323.396 3.116 20 30 DGEDHN CC(C)CCOc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424105701 434625959 /nfs/dbraw/zinc/62/59/59/434625959.db2.gz KESIMLKWIPDVBU-INIZCTEOSA-N 0 3 303.406 3.071 20 30 DGEDHN Cc1cccc([C@H]2CCCCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424121049 434627565 /nfs/dbraw/zinc/62/75/65/434627565.db2.gz HXJHJALPMYSEPL-QZTJIDSGSA-N 0 3 313.445 3.460 20 30 DGEDHN Clc1cccc(C#CCN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000371074243 434639253 /nfs/dbraw/zinc/63/92/53/434639253.db2.gz LHJQOXDGABQXTQ-QGZVFWFLSA-N 0 3 303.833 3.440 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389415 434643888 /nfs/dbraw/zinc/64/38/88/434643888.db2.gz NOQAWTOYEZNUQM-QZTJIDSGSA-N 0 3 300.446 3.035 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(CC)cc2)C(C)C)C1=O ZINC000410418339 434644549 /nfs/dbraw/zinc/64/45/49/434644549.db2.gz NOBYWNZBLLJTMD-ROUUACIJSA-N 0 3 300.446 3.323 20 30 DGEDHN N#CCC1(CNCc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000369711537 434600046 /nfs/dbraw/zinc/60/00/46/434600046.db2.gz DBLWJIUOYSTGOH-UHFFFAOYSA-N 0 3 302.328 3.138 20 30 DGEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424171907 434644732 /nfs/dbraw/zinc/64/47/32/434644732.db2.gz MLUOJEKZSKOLPX-OLZOCXBDSA-N 0 3 322.478 3.116 20 30 DGEDHN CC(C)[C@H](NCc1ccc(F)cc1C#N)C1(CO)CCCC1 ZINC000459549333 434601823 /nfs/dbraw/zinc/60/18/23/434601823.db2.gz ZJONRCRQODFKLF-KRWDZBQOSA-N 0 3 304.409 3.364 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418148283 434603433 /nfs/dbraw/zinc/60/34/33/434603433.db2.gz NTJDUWKDLWWBQF-ROUUACIJSA-N 0 3 311.429 3.494 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360612457 434648524 /nfs/dbraw/zinc/64/85/24/434648524.db2.gz PYZULTDBMZKNGD-MRXNPFEDSA-N 0 3 305.466 3.041 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CCCCC1 ZINC000410584556 434658927 /nfs/dbraw/zinc/65/89/27/434658927.db2.gz AXXRJEJSWUZQNY-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN COc1cc(CNC[C@@H](C)Oc2ccc(F)cc2)ccc1C#N ZINC000440817456 434747394 /nfs/dbraw/zinc/74/73/94/434747394.db2.gz PRIQDENEOHQJET-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2CC(c3ccccc3)C2)CC1 ZINC000371551030 434729416 /nfs/dbraw/zinc/72/94/16/434729416.db2.gz RHKYSCPJKUMHCP-UHFFFAOYSA-N 0 3 312.457 3.337 20 30 DGEDHN CC(C)C(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411161969 434734680 /nfs/dbraw/zinc/73/46/80/434734680.db2.gz CBGBIDNABIIZPL-UHFFFAOYSA-N 0 3 305.466 3.087 20 30 DGEDHN Cn1nccc1[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411175149 434737997 /nfs/dbraw/zinc/73/79/97/434737997.db2.gz CUEJHLHDWBLPQS-INIZCTEOSA-N 0 3 300.450 3.464 20 30 DGEDHN C[C@@H]1CN(C2CCN(CCC3(C#N)CCCCC3)CC2)CCO1 ZINC000411193128 434741257 /nfs/dbraw/zinc/74/12/57/434741257.db2.gz SBJRGKJPHNYSPZ-QGZVFWFLSA-N 0 3 319.493 3.036 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460381210 434756623 /nfs/dbraw/zinc/75/66/23/434756623.db2.gz BXYLIRMRMXTINT-JKSUJKDBSA-N 0 3 319.497 3.116 20 30 DGEDHN COCCCOC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411287321 434758100 /nfs/dbraw/zinc/75/81/00/434758100.db2.gz YIHHXBSMJFCRNQ-UHFFFAOYSA-N 0 3 308.466 3.368 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000444748654 434788639 /nfs/dbraw/zinc/78/86/39/434788639.db2.gz QZQBPRFJGVAKRV-HZPDHXFCSA-N 0 3 305.466 3.086 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCCC1(C)C ZINC000445123935 434789566 /nfs/dbraw/zinc/78/95/66/434789566.db2.gz XADLSJZIPZVOOI-VYDXJSESSA-N 0 3 319.493 3.388 20 30 DGEDHN COCCOCc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000361124118 434803138 /nfs/dbraw/zinc/80/31/38/434803138.db2.gz RQDJHFRNMDOCIA-UHFFFAOYSA-N 0 3 316.426 3.073 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000424789232 434804095 /nfs/dbraw/zinc/80/40/95/434804095.db2.gz WIDQBCVOKNMTQC-NVXWUHKLSA-N 0 3 300.446 3.225 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000424826893 434812129 /nfs/dbraw/zinc/81/21/29/434812129.db2.gz LVFOIWVIAPMOCR-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000411728199 434821950 /nfs/dbraw/zinc/82/19/50/434821950.db2.gz RDIXLGWPRXFGEE-ZDUSSCGKSA-N 0 3 301.365 3.233 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCSC2(CCC2)CC1 ZINC000411871271 434838477 /nfs/dbraw/zinc/83/84/77/434838477.db2.gz QTQMAEADSJJRJK-OAHLLOKOSA-N 0 3 310.507 3.161 20 30 DGEDHN C=CCOCCN[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412008896 434853948 /nfs/dbraw/zinc/85/39/48/434853948.db2.gz MTMJRLCMBBXEAK-SFHVURJKSA-N 0 3 303.446 3.463 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000462460348 434913835 /nfs/dbraw/zinc/91/38/35/434913835.db2.gz RTAYSAUCLYNYLN-AEFFLSMTSA-N 0 3 319.493 3.333 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@H](OC)C1CCOCC1 ZINC000637974186 434920287 /nfs/dbraw/zinc/92/02/87/434920287.db2.gz JRMIIEWVFLYTOB-IBGZPJMESA-N 0 3 303.446 3.159 20 30 DGEDHN C=CCNC(=O)CN[C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462810781 434932047 /nfs/dbraw/zinc/93/20/47/434932047.db2.gz IFMKSQHEUKWRGS-CQSZACIVSA-N 0 3 313.445 3.116 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2cc(F)ccc2C1 ZINC000555580105 434978252 /nfs/dbraw/zinc/97/82/52/434978252.db2.gz NOMZNOHVXHBGGA-QGZVFWFLSA-N 0 3 322.383 3.483 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NCCN(C)CCCC)c1 ZINC000524897617 434998264 /nfs/dbraw/zinc/99/82/64/434998264.db2.gz VDPHALBSTBITMQ-UHFFFAOYSA-N 0 3 319.449 3.495 20 30 DGEDHN N#Cc1ccnc(NCC2(N3CCSCC3)CCCCC2)c1 ZINC000557569709 435058789 /nfs/dbraw/zinc/05/87/89/435058789.db2.gz SAJXCUIVRQUUCH-UHFFFAOYSA-N 0 3 316.474 3.117 20 30 DGEDHN C[C@H]1CC(F)(F)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000530009619 435041863 /nfs/dbraw/zinc/04/18/63/435041863.db2.gz RRQFDRWWDIJWLT-ZFWWWQNUSA-N 0 3 306.356 3.405 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000465859283 435048973 /nfs/dbraw/zinc/04/89/73/435048973.db2.gz KEAVWDWACHSLTG-XYJFISCASA-N 0 3 319.493 3.295 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000575772030 435051814 /nfs/dbraw/zinc/05/18/14/435051814.db2.gz ZENQNDUODFVOFL-SJLPKXTDSA-N 0 3 322.412 3.236 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000575810977 435052977 /nfs/dbraw/zinc/05/29/77/435052977.db2.gz CPXJJUQGPCBOOL-UHFFFAOYSA-N 0 3 323.440 3.486 20 30 DGEDHN COCC1(NCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000532212637 435147212 /nfs/dbraw/zinc/14/72/12/435147212.db2.gz PTCQQGHAQJLNHC-UHFFFAOYSA-N 0 3 322.408 3.406 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000532918409 435198886 /nfs/dbraw/zinc/19/88/86/435198886.db2.gz VANJCBCMDUQKOS-OLMNPRSZSA-N 0 3 311.429 3.397 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)cc1F)Oc1ccc(F)cc1 ZINC000532987185 435203243 /nfs/dbraw/zinc/20/32/43/435203243.db2.gz XACSWAGHNWLGDB-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)c(C)o1)C(C)C ZINC000532261148 435153467 /nfs/dbraw/zinc/15/34/67/435153467.db2.gz AJXOXXGFGMBVBM-MRXNPFEDSA-N 0 3 304.434 3.325 20 30 DGEDHN C[C@H](N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000580275632 435217154 /nfs/dbraw/zinc/21/71/54/435217154.db2.gz MRSSXNXKTJMCDB-WMLDXEAASA-N 0 3 313.445 3.420 20 30 DGEDHN C[C@H](C#N)CN(C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000496516033 435219574 /nfs/dbraw/zinc/21/95/74/435219574.db2.gz BRIGGPKJIFMYJC-BZUAXINKSA-N 0 3 323.481 3.409 20 30 DGEDHN C=CCCCCCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533288565 435222191 /nfs/dbraw/zinc/22/21/91/435222191.db2.gz OQXQGZBUHKVMON-GOSISDBHSA-N 0 3 311.429 3.342 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000561624880 435228089 /nfs/dbraw/zinc/22/80/89/435228089.db2.gz VWZCGKRYKUMCOF-KVSKMBFKSA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCCC2)CC1 ZINC000562301202 435257736 /nfs/dbraw/zinc/25/77/36/435257736.db2.gz KUIOEGNHJPZNEV-MRXNPFEDSA-N 0 3 317.477 3.374 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497030517 298364472 /nfs/dbraw/zinc/36/44/72/298364472.db2.gz BBOGICVGBSAEMF-QAPCUYQASA-N 0 3 321.465 3.402 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000411813374 298365194 /nfs/dbraw/zinc/36/51/94/298365194.db2.gz AJVWWPUKXRMTAY-CHWSQXEVSA-N 0 3 304.356 3.360 20 30 DGEDHN Cc1cc(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)ccc1C#N ZINC000496975451 435277933 /nfs/dbraw/zinc/27/79/33/435277933.db2.gz RDTRLOFJTOJFQA-UONOGXRCSA-N 0 3 317.433 3.258 20 30 DGEDHN C[C@@H](N[C@H](COC(N)=O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000496972284 435278098 /nfs/dbraw/zinc/27/80/98/435278098.db2.gz CBIPKNVVBLBGNM-KDOFPFPSSA-N 0 3 323.396 3.330 20 30 DGEDHN C=CCOc1ccc(CN(C)C2CC(OCC)C2)cc1OC ZINC000565919336 435283500 /nfs/dbraw/zinc/28/35/00/435283500.db2.gz INNOYEQSOPYGMH-UHFFFAOYSA-N 0 3 305.418 3.259 20 30 DGEDHN CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCC(C)(C#N)CC1 ZINC000497051414 435289343 /nfs/dbraw/zinc/28/93/43/435289343.db2.gz BPIQGLRVVKDPJL-HNNXBMFYSA-N 0 3 323.481 3.409 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000498364734 435302524 /nfs/dbraw/zinc/30/25/24/435302524.db2.gz QGSHMBJTRODVJJ-HZPDHXFCSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000500149243 435303474 /nfs/dbraw/zinc/30/34/74/435303474.db2.gz NVQBDFVSSLKBPO-DOTOQJQBSA-N 0 3 300.446 3.225 20 30 DGEDHN COCCN(C)CC[C@H](Nc1ncccc1C#N)c1ccccc1 ZINC000505577371 435306936 /nfs/dbraw/zinc/30/69/36/435306936.db2.gz UYWQYKXDYVMVMG-SFHVURJKSA-N 0 3 324.428 3.075 20 30 DGEDHN CC(C#N)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000533990893 435263415 /nfs/dbraw/zinc/26/34/15/435263415.db2.gz FBPNDPWTGFYUPG-JTQLQIEISA-N 0 3 319.817 3.282 20 30 DGEDHN C=CCOCCNCc1cnc(CCc2ccccc2)s1 ZINC000648509905 435326014 /nfs/dbraw/zinc/32/60/14/435326014.db2.gz IDCSIADHLBNFPJ-UHFFFAOYSA-N 0 3 302.443 3.221 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000479706003 435347765 /nfs/dbraw/zinc/34/77/65/435347765.db2.gz KJBRMYIZUGIRPY-INIZCTEOSA-N 0 3 313.445 3.294 20 30 DGEDHN C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H](c1ccccc1)N(C)C ZINC000596217844 435313336 /nfs/dbraw/zinc/31/33/36/435313336.db2.gz XSCYCYBUDFUSOO-GXFFZTMASA-N 0 3 320.849 3.771 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(Cc2ccccc2Cl)c1 ZINC000648744949 435406082 /nfs/dbraw/zinc/40/60/82/435406082.db2.gz LSCFMTYXXYYDNN-SJORKVTESA-N 0 3 317.820 3.018 20 30 DGEDHN N#CCC[C@@H](NCCC(=O)Nc1cccnc1)c1ccccc1 ZINC000568156610 435397747 /nfs/dbraw/zinc/39/77/47/435397747.db2.gz HORSFBLUTYWKTR-QGZVFWFLSA-N 0 3 308.385 3.045 20 30 DGEDHN C=CCc1cc(CN(C)C2CC(OCC)C2)cc(OC)c1O ZINC000515093663 435464227 /nfs/dbraw/zinc/46/42/27/435464227.db2.gz QGCQXRDRTXUNNH-UHFFFAOYSA-N 0 3 305.418 3.129 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)C1CC1 ZINC000537856868 435471385 /nfs/dbraw/zinc/47/13/85/435471385.db2.gz IPCSJJYIIOYCQN-INIZCTEOSA-N 0 3 321.490 3.491 20 30 DGEDHN Cc1cc(C#N)nc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000568874196 435479707 /nfs/dbraw/zinc/47/97/07/435479707.db2.gz RPJUTSSECMKUIH-KRWDZBQOSA-N 0 3 324.453 3.413 20 30 DGEDHN Clc1ccc(C#CCN2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000639837559 435435485 /nfs/dbraw/zinc/43/54/85/435435485.db2.gz FFCLOFAITYYWJF-QGZVFWFLSA-N 0 3 314.820 3.010 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N[C@@H]3C[C@H](C)N(C4CC4)C3)c2c1 ZINC000569297597 435519859 /nfs/dbraw/zinc/51/98/59/435519859.db2.gz URTRBEQHDSBNAS-GOEBONIOSA-N 0 3 320.440 3.182 20 30 DGEDHN C=CCN(CC(=O)N(C)CC(F)(F)F)CC1CCCCC1 ZINC000484597211 435548320 /nfs/dbraw/zinc/54/83/20/435548320.db2.gz JLYFPCGPYGEMTI-UHFFFAOYSA-N 0 3 306.372 3.075 20 30 DGEDHN C=CCN(CC(=O)NCc1cccs1)CC1CCCCC1 ZINC000484572653 435548749 /nfs/dbraw/zinc/54/87/49/435548749.db2.gz QBEOGQWTMNSXCE-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN COc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000569738420 435557403 /nfs/dbraw/zinc/55/74/03/435557403.db2.gz PAWQNPLVJQXRJK-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN C=C(C)[C@@H](CO)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000649361820 435570534 /nfs/dbraw/zinc/57/05/34/435570534.db2.gz PWPZPBRIVHTHBB-GOSISDBHSA-N 0 3 300.377 3.333 20 30 DGEDHN CC(C)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C ZINC000487099034 435624128 /nfs/dbraw/zinc/62/41/28/435624128.db2.gz TVTJZQRLCCMXNX-OAHLLOKOSA-N 0 3 311.351 3.353 20 30 DGEDHN N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1ccccn1 ZINC000541017334 435632486 /nfs/dbraw/zinc/63/24/86/435632486.db2.gz DNSIOZGQIZSWPN-HNNXBMFYSA-N 0 3 307.353 3.288 20 30 DGEDHN COc1ccc(C2(NCCOc3ccccc3C#N)CC2)cc1 ZINC000540360045 435597327 /nfs/dbraw/zinc/59/73/27/435597327.db2.gz IRVKXPLUEVNXCJ-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN N#Cc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)nc1 ZINC000517582441 435601030 /nfs/dbraw/zinc/60/10/30/435601030.db2.gz CQARGPCUWSHWOL-UHFFFAOYSA-N 0 3 317.396 3.209 20 30 DGEDHN Cc1nc(N2CCN(C3CCC3)C[C@H](C)C2)c(Cl)cc1C#N ZINC000488738169 435641413 /nfs/dbraw/zinc/64/14/13/435641413.db2.gz UZTFMGJXKNSTOH-LBPRGKRZSA-N 0 3 318.852 3.226 20 30 DGEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000541645784 435642883 /nfs/dbraw/zinc/64/28/83/435642883.db2.gz XKMVVHRCVFZREG-CYBMUJFWSA-N 0 3 319.474 3.304 20 30 DGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548075836 435666643 /nfs/dbraw/zinc/66/66/43/435666643.db2.gz VAKSDPAMIWFLHG-OAHLLOKOSA-N 0 3 319.836 3.062 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)Nc2ccccc2)CC1 ZINC000519283535 435678141 /nfs/dbraw/zinc/67/81/41/435678141.db2.gz NLRXATJQXODXPI-SFHVURJKSA-N 0 3 315.461 3.034 20 30 DGEDHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000571284714 435694522 /nfs/dbraw/zinc/69/45/22/435694522.db2.gz LXGIMRXSEFLDKV-CZUORRHYSA-N 0 3 311.433 3.248 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@]2(C)Cc2ccccc2F)C1=O ZINC000646010053 435741627 /nfs/dbraw/zinc/74/16/27/435741627.db2.gz MQOUMEQPPFUJSW-IEBWSBKVSA-N 0 3 316.420 3.010 20 30 DGEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CC1(C)C ZINC000571841508 435742891 /nfs/dbraw/zinc/74/28/91/435742891.db2.gz YNJLUYNOCPOVTD-MRXNPFEDSA-N 0 3 309.417 3.089 20 30 DGEDHN C=CCN(CCOc1ccccc1[N+](=O)[O-])CCc1ccco1 ZINC000491259644 435721427 /nfs/dbraw/zinc/72/14/27/435721427.db2.gz LJAQCODSFGLYAZ-UHFFFAOYSA-N 0 3 316.357 3.297 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000651732634 435808088 /nfs/dbraw/zinc/80/80/88/435808088.db2.gz BPOMYSARPLHRGM-OAGGEKHMSA-N 0 3 314.429 3.135 20 30 DGEDHN N#CCC[C@@H](C#N)CNCCN1CCC2(CCCCC2)CC1 ZINC000571994282 435765479 /nfs/dbraw/zinc/76/54/79/435765479.db2.gz WTUSMVIMIOPPJS-KRWDZBQOSA-N 0 3 302.466 3.066 20 30 DGEDHN C=CC[C@@H]1CC[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000651661937 435781559 /nfs/dbraw/zinc/78/15/59/435781559.db2.gz LOBCKGXOZSUONG-CJNGLKHVSA-N 0 3 301.434 3.004 20 30 DGEDHN C#C[C@H](NC1CCC(C(=O)OCC)CC1)c1ccc(F)cc1 ZINC000491636603 435782222 /nfs/dbraw/zinc/78/22/22/435782222.db2.gz VOPMPVVWPSDIOX-PREGVCBESA-N 0 3 303.377 3.212 20 30 DGEDHN C#C[C@@H](CC)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000491642973 435785147 /nfs/dbraw/zinc/78/51/47/435785147.db2.gz ZIIFJANHIICGRF-KRWDZBQOSA-N 0 3 310.397 3.171 20 30 DGEDHN C=CC[C@@H]1CC[C@H](NCc2ccncc2OC[C@@H]2CCOC2)C1 ZINC000651813001 435836797 /nfs/dbraw/zinc/83/67/97/435836797.db2.gz SSTATBCOHQJLBW-NUJGCVRESA-N 0 3 316.445 3.331 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CCCC[C@@H]1CC ZINC000660660970 435845868 /nfs/dbraw/zinc/84/58/68/435845868.db2.gz YACLVANRFLHLSH-YESZJQIVSA-N 0 3 305.466 3.144 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC(CC)(CC)C2)CC1 ZINC000660704437 435864957 /nfs/dbraw/zinc/86/49/57/435864957.db2.gz NVMKNXGDSUIPMM-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCOc1ccc(CN(CC)[C@H]2CCCOC2)cc1OC ZINC000651947285 435873517 /nfs/dbraw/zinc/87/35/17/435873517.db2.gz BJKKCFHRZJKWFL-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(F)c1OC(F)F ZINC000660737907 435874391 /nfs/dbraw/zinc/87/43/91/435874391.db2.gz JQJDSGIHKXBYQV-OLZOCXBDSA-N 0 3 301.308 3.250 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652210043 435923979 /nfs/dbraw/zinc/92/39/79/435923979.db2.gz FBRKDJRCYYKXMS-FFZOFVMBSA-N 0 3 324.424 3.360 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652210044 435924503 /nfs/dbraw/zinc/92/45/03/435924503.db2.gz FBRKDJRCYYKXMS-VDGAXYAQSA-N 0 3 324.424 3.360 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000665269702 435934774 /nfs/dbraw/zinc/93/47/74/435934774.db2.gz LOJKOGSUOWQVPI-HZPDHXFCSA-N 0 3 305.466 3.191 20 30 DGEDHN N#Cc1ccc(CN2CCC(NC3(CF)CCC3)CC2)cc1 ZINC000572878430 435879298 /nfs/dbraw/zinc/87/92/98/435879298.db2.gz GECVAEMJJGIZEZ-UHFFFAOYSA-N 0 3 301.409 3.004 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CNc3ccccc3C2)cc1OC ZINC000650716771 436002906 /nfs/dbraw/zinc/00/29/06/436002906.db2.gz JLGBFAIKAXWKKI-QGZVFWFLSA-N 0 3 324.424 3.386 20 30 DGEDHN C=CCCC1(CNC(=O)N2CCN3CCC2CC3)CCCC1 ZINC000661530399 436101742 /nfs/dbraw/zinc/10/17/42/436101742.db2.gz BSPYIBRBGALWGP-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000657391491 436176846 /nfs/dbraw/zinc/17/68/46/436176846.db2.gz LSACNDFIDBLFKJ-CHWSQXEVSA-N 0 3 316.371 3.313 20 30 DGEDHN C=CCC1(NCc2cc(F)c(OC)cc2OC)CCOCC1 ZINC000657634529 436265136 /nfs/dbraw/zinc/26/51/36/436265136.db2.gz MHSHYHMMBGETSI-UHFFFAOYSA-N 0 3 309.381 3.058 20 30 DGEDHN OC[C@H]1CCCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000653782095 436265641 /nfs/dbraw/zinc/26/56/41/436265641.db2.gz OXTIDKACWAEKSO-MRXNPFEDSA-N 0 3 311.347 3.294 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1ccc(Cl)cc1 ZINC000662077928 436266924 /nfs/dbraw/zinc/26/69/24/436266924.db2.gz GENWRYPZCHNGJZ-CALCHBBNSA-N 0 3 318.848 3.182 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)ccc1OC ZINC000657702137 436281937 /nfs/dbraw/zinc/28/19/37/436281937.db2.gz CUZDANZDHOEMFC-QZTJIDSGSA-N 0 3 317.429 3.043 20 30 DGEDHN C=CCNC(=O)CN[C@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657954111 436346904 /nfs/dbraw/zinc/34/69/04/436346904.db2.gz VKAUWAUXAWQXDO-HOCLYGCPSA-N 0 3 306.837 3.258 20 30 DGEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657954110 436347015 /nfs/dbraw/zinc/34/70/15/436347015.db2.gz VKAUWAUXAWQXDO-GOEBONIOSA-N 0 3 306.837 3.258 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(C)c2)CC1 ZINC000654298371 436383212 /nfs/dbraw/zinc/38/32/12/436383212.db2.gz RLWAZFNAAMLIAT-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000654312068 436388606 /nfs/dbraw/zinc/38/86/06/436388606.db2.gz MQDITALGORYQQY-QRQLOZEOSA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)c1cccc2c1CCNC2 ZINC000662496745 436356120 /nfs/dbraw/zinc/35/61/20/436356120.db2.gz ANHVXMRLQGPFLS-UHFFFAOYSA-N 0 3 306.409 3.161 20 30 DGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnc3n2CCC3)s1 ZINC000659115044 436462997 /nfs/dbraw/zinc/46/29/97/436462997.db2.gz NTHTYTPYNPOJEA-JTQLQIEISA-N 0 3 314.414 3.073 20 30 DGEDHN C=CCC[C@@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccco1 ZINC000658304948 436424554 /nfs/dbraw/zinc/42/45/54/436424554.db2.gz IALOTNIOWKTGIY-HZPDHXFCSA-N 0 3 317.433 3.167 20 30 DGEDHN C=CCC[C@@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccco1 ZINC000658310152 436427055 /nfs/dbraw/zinc/42/70/55/436427055.db2.gz BBJXJGFRHBPNQW-QAPCUYQASA-N 0 3 307.434 3.444 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655271913 436517613 /nfs/dbraw/zinc/51/76/13/436517613.db2.gz NTENNOHUMOFPNU-UHFFFAOYSA-N 0 3 310.482 3.082 20 30 DGEDHN C=C(C)[C@H](NC[C@@H](OC)[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000660312060 436621743 /nfs/dbraw/zinc/62/17/43/436621743.db2.gz NRPUZKTUNRZHIS-XYPHTWIQSA-N 0 3 311.372 3.223 20 30 DGEDHN N#CCCN(C(=O)CN1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000177537943 303151866 /nfs/dbraw/zinc/15/18/66/303151866.db2.gz LTNJKQVMNUOCMY-IRXDYDNUSA-N 0 3 311.429 3.055 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000248821293 303159605 /nfs/dbraw/zinc/15/96/05/303159605.db2.gz LJHFRHLJVXHBNQ-IKGGRYGDSA-N 0 3 301.434 3.479 20 30 DGEDHN Cc1cccc(C(C)(C)NC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000179594331 312810457 /nfs/dbraw/zinc/81/04/57/312810457.db2.gz ZDUTYIKODABZLI-SFHVURJKSA-N 0 3 324.424 3.131 20 30 DGEDHN C[C@H]1CC(F)(F)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000528772583 313079697 /nfs/dbraw/zinc/07/96/97/313079697.db2.gz YPBOJDLSZJVDMI-LBPRGKRZSA-N 0 3 307.344 3.006 20 30 DGEDHN COc1ccc(C2(NCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000539260418 313905352 /nfs/dbraw/zinc/90/53/52/313905352.db2.gz DDXWGDVBKPZMAW-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN Cc1ccnc(N(CCCc2ccccc2)CCN(C)C)c1C#N ZINC000541277028 314004381 /nfs/dbraw/zinc/00/43/81/314004381.db2.gz DYNDRSBLNAJDSD-UHFFFAOYSA-N 0 3 322.456 3.263 20 30 DGEDHN C[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000542488479 314079318 /nfs/dbraw/zinc/07/93/18/314079318.db2.gz SEAAWNSSUBKCMT-KSSFIOAISA-N 0 3 312.388 3.342 20 30 DGEDHN C[C@@H]([C@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000544423664 314192233 /nfs/dbraw/zinc/19/22/33/314192233.db2.gz FYKXQVSMPZYZHU-DEYYWGMASA-N 0 3 313.445 3.279 20 30 DGEDHN C[C@@H]([C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000544423671 314192503 /nfs/dbraw/zinc/19/25/03/314192503.db2.gz FYKXQVSMPZYZHU-SUNYJGFJSA-N 0 3 313.445 3.279 20 30 DGEDHN CC[C@@H]1CCCC[C@@H]1NCc1cccc(C(=O)OC)c1C#N ZINC000548487537 314452273 /nfs/dbraw/zinc/45/22/73/314452273.db2.gz MEBZVMXQQGBRDI-DYVFJYSZSA-N 0 3 300.402 3.403 20 30 DGEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000560943286 314949340 /nfs/dbraw/zinc/94/93/40/314949340.db2.gz LEVYBAGRHPBPFR-ROUUACIJSA-N 0 3 306.413 3.336 20 30 DGEDHN Cc1csc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1C#N ZINC000565164747 315236678 /nfs/dbraw/zinc/23/66/78/315236678.db2.gz UXIIGUFZQXCZRF-LBPRGKRZSA-N 0 3 320.462 3.122 20 30 DGEDHN Cc1ncncc1[C@H](C)NCCSCc1ccccc1C#N ZINC000565433357 315260941 /nfs/dbraw/zinc/26/09/41/315260941.db2.gz PBGXZMRLVPDJJZ-ZDUSSCGKSA-N 0 3 312.442 3.241 20 30 DGEDHN CC[C@@H]1CN(Cc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000566415923 315343117 /nfs/dbraw/zinc/34/31/17/315343117.db2.gz GOSRCNWGHRHIRQ-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN CCO[C@@H]1C[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566657856 315365612 /nfs/dbraw/zinc/36/56/12/315365612.db2.gz XWZQKCDCRFWKQV-VQTJNVASSA-N 0 3 322.408 3.404 20 30 DGEDHN Cc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1CN(C)C ZINC000569669334 315595520 /nfs/dbraw/zinc/59/55/20/315595520.db2.gz ZFAYDNAKOLWIHA-UHFFFAOYSA-N 0 3 307.397 3.110 20 30 DGEDHN CCO[C@@H]1C[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000571965594 315757137 /nfs/dbraw/zinc/75/71/37/315757137.db2.gz KAJGWQZXWGDIAG-WOJBJXKFSA-N 0 3 322.408 3.404 20 30 DGEDHN COc1cc(CN[C@H]2CCC(=O)Nc3ccccc32)ccc1C#N ZINC000577028248 316193985 /nfs/dbraw/zinc/19/39/85/316193985.db2.gz AQUZDUBXVUUEFB-INIZCTEOSA-N 0 3 321.380 3.130 20 30 DGEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1Br ZINC000349797100 533703028 /nfs/dbraw/zinc/70/30/28/533703028.db2.gz ANHYDPFHHCKYFU-PWSUYJOCSA-N 0 3 309.207 3.240 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1ccc(C#N)s1 ZINC000387624250 323646638 /nfs/dbraw/zinc/64/66/38/323646638.db2.gz CSZNEJBEQVGNOF-GFCCVEGCSA-N 0 3 323.462 3.355 20 30 DGEDHN CC(C)c1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000392073938 323671915 /nfs/dbraw/zinc/67/19/15/323671915.db2.gz ZWQAAQCBACRXEJ-LJQANCHMSA-N 0 3 324.424 3.211 20 30 DGEDHN N#Cc1cccc(CCN[C@H](c2nc[nH]n2)C2CCCCC2)c1 ZINC000582157962 324195868 /nfs/dbraw/zinc/19/58/68/324195868.db2.gz YUCIDNIMGYTJSS-KRWDZBQOSA-N 0 3 309.417 3.130 20 30 DGEDHN N#Cc1cccc(CCN[C@@H](c2nc[nH]n2)C2CCCCC2)c1 ZINC000582157963 324196248 /nfs/dbraw/zinc/19/62/48/324196248.db2.gz YUCIDNIMGYTJSS-QGZVFWFLSA-N 0 3 309.417 3.130 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000255064530 331669752 /nfs/dbraw/zinc/66/97/52/331669752.db2.gz MPBTYLJKTSDGFI-XNNRTHFOSA-N 0 3 314.429 3.183 20 30 DGEDHN N#CCCn1cc(CN2CC(C3CCC3)C2)c(-c2ccncc2)n1 ZINC000558412965 331904041 /nfs/dbraw/zinc/90/40/41/331904041.db2.gz VMHFFUQXISMFBW-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN C=CCCCNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000518520280 332071971 /nfs/dbraw/zinc/07/19/71/332071971.db2.gz DTPQXZQDJSUQND-UHFFFAOYSA-N 0 3 309.475 3.314 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181064636 332173563 /nfs/dbraw/zinc/17/35/63/332173563.db2.gz DYLDZPFHSGERLC-MRXNPFEDSA-N 0 3 303.450 3.115 20 30 DGEDHN C=C(C)CN(C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000181301176 332189776 /nfs/dbraw/zinc/18/97/76/332189776.db2.gz XTQCHYYSJPNEOV-LBPRGKRZSA-N 0 3 304.217 3.241 20 30 DGEDHN C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)C(=O)NC1(C#N)CCC1 ZINC000560278446 332326936 /nfs/dbraw/zinc/32/69/36/332326936.db2.gz QDOHFIWKNIULDD-ZIAGYGMSSA-N 0 3 311.429 3.166 20 30 DGEDHN CN(CC1(C#N)CCC1)[C@@H]1CCCN(CC2(C#N)CCC2)CC1 ZINC000574486069 332380158 /nfs/dbraw/zinc/38/01/58/332380158.db2.gz QWCVZZXUXJPROI-QGZVFWFLSA-N 0 3 314.477 3.160 20 30 DGEDHN CC(C)(C)c1ccc(OC[C@H](O)CNCC2(CC#N)CC2)cc1 ZINC000583436752 332406929 /nfs/dbraw/zinc/40/69/29/332406929.db2.gz ZYQARHOMIWPESV-MRXNPFEDSA-N 0 3 316.445 3.007 20 30 DGEDHN CC#CCCCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000185187825 335118111 /nfs/dbraw/zinc/11/81/11/335118111.db2.gz WPAJJGFEOOFZHR-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN CC(C)(C#N)CCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497176408 333206476 /nfs/dbraw/zinc/20/64/76/333206476.db2.gz HQBFSMNAMMWRIP-HNNXBMFYSA-N 0 3 307.438 3.059 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3cccc(Cl)c3)CC2)C1=O ZINC000499787718 333309735 /nfs/dbraw/zinc/30/97/35/333309735.db2.gz WPEMDXUJGUKODZ-QGZVFWFLSA-N 0 3 318.848 3.306 20 30 DGEDHN C=C[C@H](CC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000295241497 335134422 /nfs/dbraw/zinc/13/44/22/335134422.db2.gz CXOYDFSJHSVPFV-IAGOWNOFSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000185728543 335147304 /nfs/dbraw/zinc/14/73/04/335147304.db2.gz KAGVYKRFPHSMDL-KRWDZBQOSA-N 0 3 312.457 3.159 20 30 DGEDHN CC(C)(CCC#N)CN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292862671 334193303 /nfs/dbraw/zinc/19/33/03/334193303.db2.gz VNEILKMJVHNSRS-UHFFFAOYSA-N 0 3 317.408 3.219 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000292930812 334194370 /nfs/dbraw/zinc/19/43/70/334194370.db2.gz YXJPQHCPQIPUOZ-YOEHRIQHSA-N 0 3 321.428 3.343 20 30 DGEDHN CCOc1ccc([C@H](C)NCCOCCC#N)cc1OCC ZINC000293757193 334201942 /nfs/dbraw/zinc/20/19/42/334201942.db2.gz JNDAVMZAHOETJX-AWEZNQCLSA-N 0 3 306.406 3.065 20 30 DGEDHN C[C@H](NCCCSCC#N)c1cnn(Cc2ccccc2)c1 ZINC000348339298 335578221 /nfs/dbraw/zinc/57/82/21/335578221.db2.gz GTDHAUDABNKPAD-HNNXBMFYSA-N 0 3 314.458 3.229 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C)C(C)C ZINC000520608761 335994442 /nfs/dbraw/zinc/99/44/42/335994442.db2.gz WGNDYIRTZAHLBS-YESZJQIVSA-N 0 3 307.482 3.173 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000520683869 336015384 /nfs/dbraw/zinc/01/53/84/336015384.db2.gz VSEQQCVVLLYNCG-UHFFFAOYSA-N 0 3 314.355 3.256 20 30 DGEDHN CC(C)N(CC(=O)Nc1ccccc1SCC#N)CC1CC1 ZINC000532666806 336266636 /nfs/dbraw/zinc/26/66/36/336266636.db2.gz UQSPESUVKLXXJC-UHFFFAOYSA-N 0 3 317.458 3.361 20 30 DGEDHN C=CCC[C@@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccccc1 ZINC000583882189 337376807 /nfs/dbraw/zinc/37/68/07/337376807.db2.gz XXMHTGXNLZTBIE-IPMKNSEASA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](C)c1sccc1Br ZINC000320321326 337595070 /nfs/dbraw/zinc/59/50/70/337595070.db2.gz XHNYRYLGXGAULR-VHSXEESVSA-N 0 3 304.253 3.488 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000264412903 337632594 /nfs/dbraw/zinc/63/25/94/337632594.db2.gz RMWNWHIKMVDOGC-UHFFFAOYSA-N 0 3 309.360 3.127 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)c1 ZINC000270772174 337642458 /nfs/dbraw/zinc/64/24/58/337642458.db2.gz ADETYIOXEUVGNW-KBPBESRZSA-N 0 3 303.324 3.043 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000516190017 338006225 /nfs/dbraw/zinc/00/62/25/338006225.db2.gz CORVEVHYOQVJHO-HXUWFJFHSA-N 0 3 323.440 3.486 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2cccc(C)c2)C(C)(C)C)C1=O ZINC000499612355 340040888 /nfs/dbraw/zinc/04/08/88/340040888.db2.gz RQWJFPPRWZUZQB-DLBZAZTESA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)C1=O ZINC000499638918 340041850 /nfs/dbraw/zinc/04/18/50/340041850.db2.gz YNIYXKPEHGTLBH-QGZVFWFLSA-N 0 3 318.848 3.306 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C[C@H](CC)c2ccccc2)C1=O ZINC000499646217 340042116 /nfs/dbraw/zinc/04/21/16/340042116.db2.gz ZRNLHFNIXKLTNO-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCCCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000502162784 340096193 /nfs/dbraw/zinc/09/61/93/340096193.db2.gz AIUAAKIEJGKLOJ-NVXWUHKLSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000502163940 340096210 /nfs/dbraw/zinc/09/62/10/340096210.db2.gz DRFTUBRYCXRGKQ-FUHWJXTLSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1cccc(C)c1 ZINC000502502633 340106194 /nfs/dbraw/zinc/10/61/94/340106194.db2.gz QNZOPDSVWSTKBN-IBGZPJMESA-N 0 3 311.425 3.423 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000502580689 340108337 /nfs/dbraw/zinc/10/83/37/340108337.db2.gz ITPYFTZMZCMRLZ-SFHVURJKSA-N 0 3 304.409 3.313 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C)CC1)C(C)C ZINC000503409080 340127492 /nfs/dbraw/zinc/12/74/92/340127492.db2.gz IRJXEJWDEWMACM-QGZVFWFLSA-N 0 3 307.482 3.127 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511092600 340320510 /nfs/dbraw/zinc/32/05/10/340320510.db2.gz OVUGSHJMVXCJNX-CQSZACIVSA-N 0 3 317.351 3.387 20 30 DGEDHN C=CCCCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000175633774 340415972 /nfs/dbraw/zinc/41/59/72/340415972.db2.gz MSOHRKBGAATHFP-UHFFFAOYSA-N 0 3 310.507 3.211 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)CCC[C@H]2C)CC1 ZINC000176499737 340427865 /nfs/dbraw/zinc/42/78/65/340427865.db2.gz PCJWSFZZUPMMHF-HZPDHXFCSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000176598803 340429109 /nfs/dbraw/zinc/42/91/09/340429109.db2.gz AAGKKDSEQUFOTM-NVXWUHKLSA-N 0 3 307.482 3.247 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000187274777 340518912 /nfs/dbraw/zinc/51/89/12/340518912.db2.gz VBDLVMCUPCLHER-SJLPKXTDSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000067124919 340854973 /nfs/dbraw/zinc/85/49/73/340854973.db2.gz VHKFYUBQBAPPJT-UHFFFAOYSA-N 0 3 324.396 3.285 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(F)cc1Br ZINC000539296547 340879827 /nfs/dbraw/zinc/87/98/27/340879827.db2.gz CIYYJPKTSOWGPY-GHMZBOCLSA-N 0 3 316.214 3.423 20 30 DGEDHN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000542881802 341025043 /nfs/dbraw/zinc/02/50/43/341025043.db2.gz MOOXUBUYXUCPGX-MRXNPFEDSA-N 0 3 313.445 3.049 20 30 DGEDHN CN(C(=O)CNC(C)(C)c1cccs1)C1(C#N)CCCCC1 ZINC000544470908 341083624 /nfs/dbraw/zinc/08/36/24/341083624.db2.gz IAWPSBVYHSTVEW-UHFFFAOYSA-N 0 3 319.474 3.258 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000544894162 341097768 /nfs/dbraw/zinc/09/77/68/341097768.db2.gz SDHAVKKIQHYJCT-CRAIPNDOSA-N 0 3 301.434 3.009 20 30 DGEDHN N#CC(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccncn1 ZINC000546860175 341183818 /nfs/dbraw/zinc/18/38/18/341183818.db2.gz FRCNJRHZWJGUBU-LJQANCHMSA-N 0 3 323.355 3.366 20 30 DGEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C2CCCC2)CC1 ZINC000548099396 341247175 /nfs/dbraw/zinc/24/71/75/341247175.db2.gz OQMRKXUFAOVMOX-KRWDZBQOSA-N 0 3 303.837 3.465 20 30 DGEDHN CN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000550654381 341320604 /nfs/dbraw/zinc/32/06/04/341320604.db2.gz UXPSNSJCDMPAKE-UHFFFAOYSA-N 0 3 310.363 3.083 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248827191 341387829 /nfs/dbraw/zinc/38/78/29/341387829.db2.gz MCBCHMVUSUIPPA-SJLPKXTDSA-N 0 3 315.461 3.115 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N(CC)CC)cc1 ZINC000554219518 341446994 /nfs/dbraw/zinc/44/69/94/341446994.db2.gz WHCKEQWBEHFGSK-QGZVFWFLSA-N 0 3 315.461 3.298 20 30 DGEDHN C=CCC[C@H](CC)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158624474 341660759 /nfs/dbraw/zinc/66/07/59/341660759.db2.gz HACHVKTUUOFCBL-HOTGVXAUSA-N 0 3 309.475 3.492 20 30 DGEDHN CC(C)(C)c1ccc(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000568384552 341669389 /nfs/dbraw/zinc/66/93/89/341669389.db2.gz MXTWYEKYZVXJRF-UAGQMJEPSA-N 0 3 316.445 3.006 20 30 DGEDHN Cc1ccccc1OC[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000573708495 341736700 /nfs/dbraw/zinc/73/67/00/341736700.db2.gz VITXIOOKWDEVPW-RBUKOAKNSA-N 0 3 324.424 3.369 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000171607191 341781311 /nfs/dbraw/zinc/78/13/11/341781311.db2.gz JHJRCYSJJSQJGG-RDJZCZTQSA-N 0 3 307.482 3.247 20 30 DGEDHN COc1cc(CN(C)CCOc2ccc(F)cc2)ccc1C#N ZINC000442802732 533783519 /nfs/dbraw/zinc/78/35/19/533783519.db2.gz QLFZRSSMIXUOPV-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[C@@H]1C ZINC000435126616 533956627 /nfs/dbraw/zinc/95/66/27/533956627.db2.gz ORXRLJVXYBFAHF-HOTGVXAUSA-N 0 3 323.444 3.337 20 30 DGEDHN COc1ccccc1CN1CCN(CCCC(C)(C)C#N)CC1 ZINC000174844593 534081016 /nfs/dbraw/zinc/08/10/16/534081016.db2.gz QBZDNGBIZDBUDR-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN COc1ccc(OC(F)F)c(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185857029 534218281 /nfs/dbraw/zinc/21/82/81/534218281.db2.gz ISLQLVZCUKUZCG-AAEUAGOBSA-N 0 3 310.344 3.469 20 30 DGEDHN CC(C#N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000345302791 534281541 /nfs/dbraw/zinc/28/15/41/534281541.db2.gz DKHOYKPBWIAODM-CYBMUJFWSA-N 0 3 314.385 3.236 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000347126891 534285508 /nfs/dbraw/zinc/28/55/08/534285508.db2.gz DHGMEVTZFYJBKD-DYVFJYSZSA-N 0 3 306.365 3.453 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](OC)C(C)(C)C2)cc(OC)c1O ZINC000449496540 534413904 /nfs/dbraw/zinc/41/39/04/534413904.db2.gz GYWBXZNDLNDIBZ-QGZVFWFLSA-N 0 3 319.445 3.376 20 30 DGEDHN C=CCc1cc(CNC[C@H](OC)[C@@H](C)CC)cc(OC)c1O ZINC000449403358 534418259 /nfs/dbraw/zinc/41/82/59/534418259.db2.gz VQDIGYRCULHJOB-GUYCJALGSA-N 0 3 307.434 3.280 20 30 DGEDHN C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1O ZINC000444668512 534459552 /nfs/dbraw/zinc/45/95/52/534459552.db2.gz DUMXFBVUBWVICL-YLJYHZDGSA-N 0 3 320.436 3.199 20 30 DGEDHN Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H]2CC=CCC2)c(C#N)c1C ZINC000330813463 534549280 /nfs/dbraw/zinc/54/92/80/534549280.db2.gz CKKICCFWXJSPDK-UKRRQHHQSA-N 0 3 315.417 3.383 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000451678596 534574194 /nfs/dbraw/zinc/57/41/94/534574194.db2.gz XEYZELVMMOFYCQ-QGTPRVQTSA-N 0 3 316.445 3.462 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2c(cccc2F)n1CC ZINC000451685923 534574517 /nfs/dbraw/zinc/57/45/17/534574517.db2.gz YQEHGAJWCKSAAD-HIFRSBDPSA-N 0 3 303.381 3.019 20 30 DGEDHN N#CCCN(C(=O)CN1CC[C@@H](CC2CC2)C1)c1ccccc1 ZINC000339682976 534630688 /nfs/dbraw/zinc/63/06/88/534630688.db2.gz ZVYWJMJQUDHKJV-KRWDZBQOSA-N 0 3 311.429 3.055 20 30 DGEDHN C=CCCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000472843637 534683489 /nfs/dbraw/zinc/68/34/89/534683489.db2.gz ABYFNPAYZYYNPJ-SFHVURJKSA-N 0 3 315.461 3.479 20 30 DGEDHN N#CC(C(=O)c1cnc2c(F)ccc(F)c2c1)c1ccccn1 ZINC000344742913 534741066 /nfs/dbraw/zinc/74/10/66/534741066.db2.gz PSPPPQSVPHNIGF-LBPRGKRZSA-N 0 3 309.275 3.398 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(CCC2(F)F)C1 ZINC000427717470 534741397 /nfs/dbraw/zinc/74/13/97/534741397.db2.gz HJORQHOQEJOEOR-AWEZNQCLSA-N 0 3 304.340 3.017 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCNC1(c2ccccc2)CC1 ZINC000299561571 534818106 /nfs/dbraw/zinc/81/81/06/534818106.db2.gz GTSMLOPYLXGGBN-UHFFFAOYSA-N 0 3 305.381 3.166 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCC(C)(C)C#N)C1 ZINC000495719338 534890833 /nfs/dbraw/zinc/89/08/33/534890833.db2.gz TXQSYJLIXNROAG-QGZVFWFLSA-N 0 3 309.454 3.163 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000185345088 526297054 /nfs/dbraw/zinc/29/70/54/526297054.db2.gz AHUIKZHEXZHMHJ-INIZCTEOSA-N 0 3 318.486 3.270 20 30 DGEDHN CC#CCCNCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000354179379 526338365 /nfs/dbraw/zinc/33/83/65/526338365.db2.gz NFKLXUOQWJHNPQ-UHFFFAOYSA-N 0 3 301.308 3.139 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)CC1CCN(C)CC1 ZINC000347044723 526360309 /nfs/dbraw/zinc/36/03/09/526360309.db2.gz RBLKPNFOUQVFDO-UHFFFAOYSA-N 0 3 304.409 3.072 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355416491 526360457 /nfs/dbraw/zinc/36/04/57/526360457.db2.gz XDWUMTZSFGQVNB-GASCZTMLSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@H]2CCC[C@@H]2C1 ZINC000153192521 526372670 /nfs/dbraw/zinc/37/26/70/526372670.db2.gz YXIIPRQMYTYRQW-BZUAXINKSA-N 0 3 318.486 3.383 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 ZINC000171713341 526438619 /nfs/dbraw/zinc/43/86/19/526438619.db2.gz VADHEOBGKQKFMT-ZSZQSSIHSA-N 0 3 319.493 3.151 20 30 DGEDHN C=C(C)CCN(CCO)Cc1ccc(Br)s1 ZINC000352414169 526440687 /nfs/dbraw/zinc/44/06/87/526440687.db2.gz SQZPUWDVDVOOJM-UHFFFAOYSA-N 0 3 304.253 3.271 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(F)c3ccccc3c2)CC1 ZINC000339998634 526445922 /nfs/dbraw/zinc/44/59/22/526445922.db2.gz HNEBUQHUYWBIHJ-UHFFFAOYSA-N 0 3 312.388 3.359 20 30 DGEDHN C=C(C)CN(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000180864846 526486810 /nfs/dbraw/zinc/48/68/10/526486810.db2.gz NJBXYVJDZDOIAT-UHFFFAOYSA-N 0 3 321.490 3.178 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@](C)(c3ccccc3)CC2)C1=O ZINC000352209284 526508050 /nfs/dbraw/zinc/50/80/50/526508050.db2.gz ATAWKUPKQKVJMT-ICSRJNTNSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(F)c3ccccc32)C1=O ZINC000352262682 526514147 /nfs/dbraw/zinc/51/41/47/526514147.db2.gz JRMROVDPONTNLA-ACJLOTCBSA-N 0 3 312.388 3.416 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC(n2c(C)ccc2C)CC1 ZINC000337695709 526521762 /nfs/dbraw/zinc/52/17/62/526521762.db2.gz XZWDDSNRMFBDLD-UHFFFAOYSA-N 0 3 317.477 3.166 20 30 DGEDHN C=C(C)COc1cc(CN(C)[C@H]2CCCOC2)ccc1OC ZINC000348715142 526659990 /nfs/dbraw/zinc/65/99/90/526659990.db2.gz ORYCYEPSSKLVLT-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOCCCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338755915 526742571 /nfs/dbraw/zinc/74/25/71/526742571.db2.gz KXRIHGKISXRYIA-MRXNPFEDSA-N 0 3 324.852 3.042 20 30 DGEDHN C=CCOCCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000347968345 526748912 /nfs/dbraw/zinc/74/89/12/526748912.db2.gz QSPYCUXTXDJWRG-GOSISDBHSA-N 0 3 307.409 3.399 20 30 DGEDHN C=C(C)[C@H](NC[C@H](O)CCOC(C)C)c1ccc(F)c(F)c1 ZINC000349855350 526820547 /nfs/dbraw/zinc/82/05/47/526820547.db2.gz QFWIXNJNCPTRDK-PBHICJAKSA-N 0 3 313.388 3.348 20 30 DGEDHN C=CCOc1ccc(CN(C)CC[C@H]2CCCO2)cc1OC ZINC000343500227 526861742 /nfs/dbraw/zinc/86/17/42/526861742.db2.gz VEPKXLNIFNAKIZ-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000359065647 526882088 /nfs/dbraw/zinc/88/20/88/526882088.db2.gz YSSKPCKRMVBSRH-MRXNPFEDSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000357942315 526944518 /nfs/dbraw/zinc/94/45/18/526944518.db2.gz YHHUVXQFLFZGFT-MRXNPFEDSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CC(C)(C)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000297803791 526955574 /nfs/dbraw/zinc/95/55/74/526955574.db2.gz QNQUBLQPUNLAKV-UHFFFAOYSA-N 0 3 301.390 3.141 20 30 DGEDHN C=CC[C@@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415967976 527028037 /nfs/dbraw/zinc/02/80/37/527028037.db2.gz INMSYKDISASDFP-SECBINFHSA-N 0 3 301.312 3.250 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000347628181 527043308 /nfs/dbraw/zinc/04/33/08/527043308.db2.gz WDYFZHPASMIPRI-GOSISDBHSA-N 0 3 315.461 3.089 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347761582 527045734 /nfs/dbraw/zinc/04/57/34/527045734.db2.gz UCCHBHCVFYYEHC-QZTJIDSGSA-N 0 3 315.461 3.305 20 30 DGEDHN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182009410 527060010 /nfs/dbraw/zinc/06/00/10/527060010.db2.gz NUQXLTOXLYDKRX-CQSZACIVSA-N 0 3 323.396 3.398 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000341893594 527082440 /nfs/dbraw/zinc/08/24/40/527082440.db2.gz YTKMUCYHZXHZBG-UKRRQHHQSA-N 0 3 317.408 3.155 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000188719821 527121240 /nfs/dbraw/zinc/12/12/40/527121240.db2.gz KAMCNUUHTYCULU-CEXWTWQISA-N 0 3 312.457 3.289 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000346418337 527151807 /nfs/dbraw/zinc/15/18/07/527151807.db2.gz MQACPUKDHMSQMO-KRWDZBQOSA-N 0 3 303.450 3.162 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000350830234 527154000 /nfs/dbraw/zinc/15/40/00/527154000.db2.gz OMDFTGKLVIMAMU-MSOLQXFVSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000355835920 527157030 /nfs/dbraw/zinc/15/70/30/527157030.db2.gz VSUOAXPJDDIRKD-RYQLBKOJSA-N 0 3 315.461 3.303 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000344336556 527157065 /nfs/dbraw/zinc/15/70/65/527157065.db2.gz SUIWNLUUDQBMMP-RYQLBKOJSA-N 0 3 315.461 3.303 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347761583 527158048 /nfs/dbraw/zinc/15/80/48/527158048.db2.gz UCCHBHCVFYYEHC-ROUUACIJSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCCCN1CCN(CCCC=C)[C@H](c2cnn(C)c2)C1 ZINC000344162338 527199744 /nfs/dbraw/zinc/19/97/44/527199744.db2.gz KHMPCDVWBOMGAO-SFHVURJKSA-N 0 3 302.466 3.011 20 30 DGEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCCCC#N ZINC000181665454 527224641 /nfs/dbraw/zinc/22/46/41/527224641.db2.gz HIAUHKKNGUZLHR-UHFFFAOYSA-N 0 3 301.312 3.151 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CCC1 ZINC000338161338 527318758 /nfs/dbraw/zinc/31/87/58/527318758.db2.gz YUMIOOPUEIKLJZ-UHFFFAOYSA-N 0 3 320.506 3.385 20 30 DGEDHN C=CCCOCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433303461 527368656 /nfs/dbraw/zinc/36/86/56/527368656.db2.gz LCUOUMKFXBYAMW-INIZCTEOSA-N 0 3 304.390 3.500 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000354118325 527377165 /nfs/dbraw/zinc/37/71/65/527377165.db2.gz VVFAVFKDTFQKIX-CVEARBPZSA-N 0 3 318.461 3.213 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359840957 527387671 /nfs/dbraw/zinc/38/76/71/527387671.db2.gz OFIDRSBNKQKJDS-SJLPKXTDSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCC[C@@H](NC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000185577595 527438699 /nfs/dbraw/zinc/43/86/99/527438699.db2.gz DOXRUZXRXYPCQE-GOSISDBHSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@@H](NC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000435088214 527441383 /nfs/dbraw/zinc/44/13/83/527441383.db2.gz SHLZVRGHTGNOHG-GOSISDBHSA-N 0 3 315.461 3.479 20 30 DGEDHN C=C[C@@H](CO)N[C@H]1CCc2c1cc(Cl)cc2Br ZINC000353574683 527443683 /nfs/dbraw/zinc/44/36/83/527443683.db2.gz JIWCNKXTSVHZQR-ZANVPECISA-N 0 3 316.626 3.226 20 30 DGEDHN C=CCC[C@@H](NCC(=O)Nc1nccs1)c1ccccc1 ZINC000180036187 527448070 /nfs/dbraw/zinc/44/80/70/527448070.db2.gz XLKUSVBXSGTAOS-CQSZACIVSA-N 0 3 301.415 3.379 20 30 DGEDHN C=CCC[C@H](NCc1cc(S(C)(=O)=O)ccc1F)C1CC1 ZINC000337397181 527485170 /nfs/dbraw/zinc/48/51/70/527485170.db2.gz JHKASNGLAUMCIG-INIZCTEOSA-N 0 3 311.422 3.064 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348231887 527490009 /nfs/dbraw/zinc/49/00/09/527490009.db2.gz IEZDMOAWAORUAL-DLBZAZTESA-N 0 3 307.409 3.134 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1sc(C)c(C)c1C ZINC000429722501 527571855 /nfs/dbraw/zinc/57/18/55/527571855.db2.gz ZDVATLDEMBGLBZ-UHFFFAOYSA-N 0 3 323.506 3.052 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1noc(C2CCCCC2)n1 ZINC000429720325 527574677 /nfs/dbraw/zinc/57/46/77/527574677.db2.gz VUYSESAFKCFMSE-UHFFFAOYSA-N 0 3 306.454 3.057 20 30 DGEDHN C=CCN(CC(=O)N(C)Cc1ccco1)CC1CCCCC1 ZINC000351867185 527580767 /nfs/dbraw/zinc/58/07/67/527580767.db2.gz XHABBDJVZGLPHO-UHFFFAOYSA-N 0 3 304.434 3.306 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441298695 527595982 /nfs/dbraw/zinc/59/59/82/527595982.db2.gz BOWIFSHTVIHFBJ-NVXWUHKLSA-N 0 3 319.493 3.390 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccc(OC)cc1)C(C)C ZINC000357135324 527616073 /nfs/dbraw/zinc/61/60/73/527616073.db2.gz GTJKJVKBLGDTEJ-IBGZPJMESA-N 0 3 316.445 3.183 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434895982 527636003 /nfs/dbraw/zinc/63/60/03/527636003.db2.gz OFMUQBJXBCMSHF-ZIFCJYIRSA-N 0 3 312.457 3.454 20 30 DGEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000355631607 527821227 /nfs/dbraw/zinc/82/12/27/527821227.db2.gz CTENAAZZLUXWHM-ZDUSSCGKSA-N 0 3 314.216 3.016 20 30 DGEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000355588337 527821605 /nfs/dbraw/zinc/82/16/05/527821605.db2.gz BXKMIKUODTVHGT-LBPRGKRZSA-N 0 3 314.216 3.016 20 30 DGEDHN CCCN(C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000355634678 527823063 /nfs/dbraw/zinc/82/30/63/527823063.db2.gz HIIILZNNVRFEBG-GFCCVEGCSA-N 0 3 314.216 3.016 20 30 DGEDHN CC(C)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCCO1 ZINC000342258470 527837005 /nfs/dbraw/zinc/83/70/05/527837005.db2.gz RIEBWORSJPPMSA-QZTJIDSGSA-N 0 3 314.429 3.032 20 30 DGEDHN CCCN(CC(=O)N(CCC#N)c1ccccc1)CC(C)C ZINC000346600729 527885880 /nfs/dbraw/zinc/88/58/80/527885880.db2.gz JGCCGJPLUMZZMQ-UHFFFAOYSA-N 0 3 301.434 3.301 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(OC)c2)C12CCC2 ZINC000442877302 528072287 /nfs/dbraw/zinc/07/22/87/528072287.db2.gz AIOSUVURAHJQRH-MSOLQXFVSA-N 0 3 314.429 3.346 20 30 DGEDHN CCOC(=O)[C@H]1CC[C@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000338785529 528075214 /nfs/dbraw/zinc/07/52/14/528075214.db2.gz BXYMALMLEFRHNO-IRXDYDNUSA-N 0 3 312.413 3.452 20 30 DGEDHN CC1CCC(N2CCN(Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000343551499 528194235 /nfs/dbraw/zinc/19/42/35/528194235.db2.gz MSJXPJBQMUUTIV-UHFFFAOYSA-N 0 3 311.473 3.449 20 30 DGEDHN CCN(CC)[C@H](CNc1nc2ccccn2c1C#N)c1ccco1 ZINC000302068844 528282471 /nfs/dbraw/zinc/28/24/71/528282471.db2.gz DKTVKVPNXJXHSW-OAHLLOKOSA-N 0 3 323.400 3.294 20 30 DGEDHN CC(C)C[C@@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000435925422 528392340 /nfs/dbraw/zinc/39/23/40/528392340.db2.gz FBYOPFVHLSSPCW-ZWKOTPCHSA-N 0 3 314.429 3.032 20 30 DGEDHN CCN(CCC1CC1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000355062245 528428021 /nfs/dbraw/zinc/42/80/21/528428021.db2.gz QEKJUJYJGSDVSE-WUJZJPHMSA-N 0 3 319.493 3.428 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000338425236 528467082 /nfs/dbraw/zinc/46/70/82/528467082.db2.gz JFXGRPWSXUWPDA-GOSISDBHSA-N 0 3 313.445 3.137 20 30 DGEDHN CCCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000355108100 528598195 /nfs/dbraw/zinc/59/81/95/528598195.db2.gz ABXZGHPXMHPRQF-OAHLLOKOSA-N 0 3 318.380 3.411 20 30 DGEDHN CC(C)n1cnnc1[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000158978017 528646539 /nfs/dbraw/zinc/64/65/39/528646539.db2.gz IWITWPDXUCHBOT-OAHLLOKOSA-N 0 3 303.454 3.368 20 30 DGEDHN CC(C)[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000444770525 528665461 /nfs/dbraw/zinc/66/54/61/528665461.db2.gz LPUKJCADPATUPU-MRXNPFEDSA-N 0 3 305.466 3.039 20 30 DGEDHN CCCc1nc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)co1 ZINC000330827609 528682260 /nfs/dbraw/zinc/68/22/60/528682260.db2.gz SDZOLCQVTCCXBR-HZSPNIEDSA-N 0 3 307.438 3.298 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1 ZINC000337389592 529125367 /nfs/dbraw/zinc/12/53/67/529125367.db2.gz GYEQXULLORWFPH-BBRMVZONSA-N 0 3 317.408 3.063 20 30 DGEDHN CC(C)NC(=O)Nc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185882042 529137964 /nfs/dbraw/zinc/13/79/64/529137964.db2.gz IWQBTRCWHDFERB-RDJZCZTQSA-N 0 3 314.433 3.388 20 30 DGEDHN CC(C)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000473161415 535181957 /nfs/dbraw/zinc/18/19/57/535181957.db2.gz BREHWMZGQISDRU-ZWKOTPCHSA-N 0 3 309.413 3.135 20 30 DGEDHN CC[C@H](CC#N)NC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496171541 536056472 /nfs/dbraw/zinc/05/64/72/536056472.db2.gz PJCAZNAYLLIHRU-RBSFLKMASA-N 0 3 309.454 3.304 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](OCC)C2)cc1OC ZINC000155423559 546027237 /nfs/dbraw/zinc/02/72/37/546027237.db2.gz AOFFKYDXFFLHOP-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCCNCc1cc(OC)c(OC)cc1Br ZINC000161743682 546072760 /nfs/dbraw/zinc/07/27/60/546072760.db2.gz OFYLVECAQSZJSE-UHFFFAOYSA-N 0 3 300.196 3.132 20 30 DGEDHN CC(C)(C)OC(=O)N(CCCNCc1ccc(C#N)o1)C1CC1 ZINC000230654855 546274484 /nfs/dbraw/zinc/27/44/84/546274484.db2.gz FGBGBVVEEGQEIR-UHFFFAOYSA-N 0 3 319.405 3.030 20 30 DGEDHN C=CCc1cc(CN[C@@H]2CCCC[C@H]2OC)cc(OC)c1O ZINC000278676447 546370815 /nfs/dbraw/zinc/37/08/15/546370815.db2.gz HRJLHZRMRWEWLJ-HZPDHXFCSA-N 0 3 305.418 3.177 20 30 DGEDHN Cc1cc(C)n([C@@H](C)CC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000328850445 546482060 /nfs/dbraw/zinc/48/20/60/546482060.db2.gz UPWNHHJHQANIME-AWEZNQCLSA-N 0 3 304.438 3.034 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC000352269738 546651293 /nfs/dbraw/zinc/65/12/93/546651293.db2.gz XHAHTCWEAVQQQH-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1sccc1Br ZINC000381199249 546739744 /nfs/dbraw/zinc/73/97/44/546739744.db2.gz BVDOUOUSSVASEH-VHSXEESVSA-N 0 3 304.253 3.346 20 30 DGEDHN Cc1nsc(NC[C@H]2CCCN2Cc2ccccc2)c1C#N ZINC000390789121 546755301 /nfs/dbraw/zinc/75/53/01/546755301.db2.gz DSOPILPPCSZUEM-OAHLLOKOSA-N 0 3 312.442 3.400 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2nc(C(C)C)c(C)s2)CC1 ZINC000667371176 547163922 /nfs/dbraw/zinc/16/39/22/547163922.db2.gz XYEPCSMFDNJCFR-UHFFFAOYSA-N 0 3 322.478 3.347 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccn(C)c2-c2ccccc2)CC1 ZINC000668369846 547446498 /nfs/dbraw/zinc/44/64/98/547446498.db2.gz GNPQEVBUCDKIPQ-UHFFFAOYSA-N 0 3 323.440 3.072 20 30 DGEDHN C=CCOc1cccc(CN2CC(COC)(C3CCC3)C2)c1 ZINC000668513520 547471502 /nfs/dbraw/zinc/47/15/02/547471502.db2.gz SUFIBIPQVKTHTD-UHFFFAOYSA-N 0 3 301.430 3.500 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669727821 547679885 /nfs/dbraw/zinc/67/98/85/547679885.db2.gz UIIALGACPWVCJC-KRWDZBQOSA-N 0 3 313.445 3.411 20 30 DGEDHN C(#CCN1CC[C@H](c2ccco2)C1)CN1CC[C@H](c2ccco2)C1 ZINC000671241563 547779853 /nfs/dbraw/zinc/77/98/53/547779853.db2.gz ZVQFJBHFKBARJE-ROUUACIJSA-N 0 3 324.424 3.155 20 30 DGEDHN C=C(CN[C@H](C)CC(=O)NCCc1ccccc1)c1ccccc1 ZINC000675782844 548269981 /nfs/dbraw/zinc/26/99/81/548269981.db2.gz ZOVNPFYLCDYLPQ-GOSISDBHSA-N 0 3 322.452 3.427 20 30 DGEDHN C=C(C)[C@@H](CO)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000678049149 548600957 /nfs/dbraw/zinc/60/09/57/548600957.db2.gz FTRNSSBHWNHRFU-SWLSCSKDSA-N 0 3 316.228 3.384 20 30 DGEDHN COCC#CCN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000678743669 548756463 /nfs/dbraw/zinc/75/64/63/548756463.db2.gz GTQIIZGDJWTIST-HNNXBMFYSA-N 0 3 317.429 3.317 20 30 DGEDHN C=C(C)CN1CCC(NCc2nc3c(s2)CCCC3)CC1 ZINC000678954345 548800943 /nfs/dbraw/zinc/80/09/43/548800943.db2.gz BUTILQUYMYORFR-UHFFFAOYSA-N 0 3 305.491 3.152 20 30 DGEDHN C=CCOc1cccc(CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000680333179 549030762 /nfs/dbraw/zinc/03/07/62/549030762.db2.gz JZSPYVJGCQHWGQ-GOSISDBHSA-N 0 3 301.430 3.500 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000681623006 549231006 /nfs/dbraw/zinc/23/10/06/549231006.db2.gz VHWYTNFYDXKZAZ-OAHLLOKOSA-N 0 3 316.470 3.179 20 30 DGEDHN C=C(C)CNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000681748379 549249649 /nfs/dbraw/zinc/24/96/49/549249649.db2.gz TVQBPCIVBJFCTR-INIZCTEOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)COc1cc(CN[C@@]2(CC)CCOC2)ccc1OC ZINC000682952329 549402668 /nfs/dbraw/zinc/40/26/68/549402668.db2.gz UIARLPXFWOYWCA-SFHVURJKSA-N 0 3 305.418 3.309 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nc(C)c(C)s1)C(C)C ZINC000683536762 549501315 /nfs/dbraw/zinc/50/13/15/549501315.db2.gz KNRFTTJUYSKFAJ-HNNXBMFYSA-N 0 3 321.490 3.188 20 30 DGEDHN C=CCN1CC[C@H](NC(C)(C)c2ccc(C(C)C)cc2)C1=O ZINC000685003204 549732533 /nfs/dbraw/zinc/73/25/33/549732533.db2.gz ZSWAUAPEZVLHRZ-KRWDZBQOSA-N 0 3 300.446 3.422 20 30 DGEDHN C#CCOc1ccccc1CN(C)C[C@@](C)(O)c1ccccc1 ZINC000730261198 574523322 /nfs/dbraw/zinc/52/33/22/574523322.db2.gz UECUMPRPVDGFEG-HXUWFJFHSA-N 0 3 309.409 3.038 20 30 DGEDHN C[Si](C)(C)CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000731212840 574545448 /nfs/dbraw/zinc/54/54/48/574545448.db2.gz UMWVNRHTPGZJNZ-UHFFFAOYSA-N 0 3 324.504 3.106 20 30 DGEDHN CCC(CC)[C@H](O)C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000731938256 574563086 /nfs/dbraw/zinc/56/30/86/574563086.db2.gz SKYFSYWDTOIMCY-LSCADSNKSA-N 0 3 306.450 3.454 20 30 DGEDHN C#Cc1cccc(NC(=S)NCCN2CCCC[C@@H]2CC)c1 ZINC000733209340 574608905 /nfs/dbraw/zinc/60/89/05/574608905.db2.gz JKRVGNVPJQWNJA-KRWDZBQOSA-N 0 3 315.486 3.219 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000733327151 574616281 /nfs/dbraw/zinc/61/62/81/574616281.db2.gz AXLMIOFPNQAKOP-NRFANRHFSA-N 0 3 321.420 3.492 20 30 DGEDHN CC#CCN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000741777816 574639461 /nfs/dbraw/zinc/63/94/61/574639461.db2.gz LHRBJNICPRBOSE-HOTGVXAUSA-N 0 3 306.450 3.264 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)C ZINC000734149185 574652067 /nfs/dbraw/zinc/65/20/67/574652067.db2.gz AQTRJEAPDIMMOY-ZDUSSCGKSA-N 0 3 315.442 3.450 20 30 DGEDHN Cc1c(Cl)cccc1NC(=S)NN=C1CCN(C)[C@H](C)C1 ZINC000741456168 574958235 /nfs/dbraw/zinc/95/82/35/574958235.db2.gz GTMDKEARQBRXLH-SNVBAGLBSA-N 0 3 324.881 3.405 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000742179787 574983766 /nfs/dbraw/zinc/98/37/66/574983766.db2.gz LOSSYDSUBVMPKK-SFHVURJKSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCN1CCC(NC(=O)CC/C=C\c2ccccc2)CC1 ZINC000743495424 575054355 /nfs/dbraw/zinc/05/43/55/575054355.db2.gz VWMIWPFJXUJTDH-XFFZJAGNSA-N 0 3 310.441 3.084 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000743493336 575054421 /nfs/dbraw/zinc/05/44/21/575054421.db2.gz OAAZKGKVOIBMOJ-CQSZACIVSA-N 0 3 318.848 3.047 20 30 DGEDHN C#CCCCN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000743486093 575054516 /nfs/dbraw/zinc/05/45/16/575054516.db2.gz YFRXELRCFWWOJB-IBGZPJMESA-N 0 3 306.409 3.047 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C ZINC000744033939 575069575 /nfs/dbraw/zinc/06/95/75/575069575.db2.gz YYZYGLJJVNJWAE-XSNHNAGMSA-N 0 3 314.385 3.335 20 30 DGEDHN C=C(C)CCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000744302949 575082758 /nfs/dbraw/zinc/08/27/58/575082758.db2.gz JBTMSRKHSAOBNM-AWEZNQCLSA-N 0 3 307.777 3.202 20 30 DGEDHN CCCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC1 ZINC000728931303 575196192 /nfs/dbraw/zinc/19/61/92/575196192.db2.gz SLEHMSMVVJWWMF-OAHLLOKOSA-N 0 3 320.396 3.098 20 30 DGEDHN N#CCOc1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC000729685341 575260365 /nfs/dbraw/zinc/26/03/65/575260365.db2.gz KGNCTCALZMESFH-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccccc2F)CC1 ZINC000729942838 575267719 /nfs/dbraw/zinc/26/77/19/575267719.db2.gz UPJXYNPPPOPUER-UHFFFAOYSA-N 0 3 307.438 3.153 20 30 DGEDHN C=CCN1CCC(NC(=S)NC[C@H](CC)CCCC)CC1 ZINC000729942499 575267727 /nfs/dbraw/zinc/26/77/27/575267727.db2.gz GYPKXIYJTBKEBB-OAHLLOKOSA-N 0 3 311.539 3.317 20 30 DGEDHN C#CCN(C(=O)N[C@H](C)CN1CCC[C@H](C)C1)C1CCCCC1 ZINC000744857178 575361264 /nfs/dbraw/zinc/36/12/64/575361264.db2.gz ICXBSNHCOLPMNK-DLBZAZTESA-N 0 3 319.493 3.084 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCC1=NOCc1cccnc1 ZINC000746585625 575463183 /nfs/dbraw/zinc/46/31/83/575463183.db2.gz ISGRGJKMSSRVOG-INIZCTEOSA-N 0 3 309.413 3.496 20 30 DGEDHN COc1ccc(CNC/C=C/c2ccccc2OC)cc1C#N ZINC000746741201 575472965 /nfs/dbraw/zinc/47/29/65/575472965.db2.gz KWHOHEJYIFVKSS-FNORWQNLSA-N 0 3 308.381 3.378 20 30 DGEDHN CN(C)[C@@H](C/N=C/c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000746816760 575476595 /nfs/dbraw/zinc/47/65/95/575476595.db2.gz UFIUORABYQVQNV-RPJLVFAOSA-N 0 3 318.804 3.473 20 30 DGEDHN Clc1nccnc1N=NC1CCCC[C@H]1N1CCCCC1 ZINC000748788992 575606749 /nfs/dbraw/zinc/60/67/49/575606749.db2.gz XEIGHBQLAIWFBW-CYBMUJFWSA-N 0 3 307.829 3.326 20 30 DGEDHN CCN(Cc1ccccc1)c1ccc(C=NN[C@@H](C)CO)cc1 ZINC000749814727 575680315 /nfs/dbraw/zinc/68/03/15/575680315.db2.gz QZVGHOCWWAUAOE-INIZCTEOSA-N 0 3 311.429 3.017 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(C#N)c1 ZINC000751521527 575788308 /nfs/dbraw/zinc/78/83/08/575788308.db2.gz QFTLKJLNBWVTRH-HNNXBMFYSA-N 0 3 304.397 3.478 20 30 DGEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000752113341 575823821 /nfs/dbraw/zinc/82/38/21/575823821.db2.gz RQXCTIWIPQWWGV-OIISXLGYSA-N 0 3 300.402 3.041 20 30 DGEDHN C=C(C)CCOC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000744305145 575926445 /nfs/dbraw/zinc/92/64/45/575926445.db2.gz OZZGHMDYKOSPNZ-CQSZACIVSA-N 0 3 307.777 3.202 20 30 DGEDHN CO[C@H](C(=O)C(C#N)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000916844418 620647474 /nfs/dbraw/zinc/64/74/74/620647474.db2.gz HNBHESTUDYEWBZ-GUYCJALGSA-N 0 3 305.337 3.127 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916914155 620650127 /nfs/dbraw/zinc/65/01/27/620650127.db2.gz VZCQSRKEUNUQMJ-CYBMUJFWSA-N 0 3 308.328 3.332 20 30 DGEDHN N#CC(C(=O)Cc1cccs1)C(=O)Nc1ccccc1Cl ZINC000916905569 620649920 /nfs/dbraw/zinc/64/99/20/620649920.db2.gz LOQZUNXTWYXUCD-NSHDSACASA-N 0 3 318.785 3.292 20 30 DGEDHN C[C@H]1CCCCN1CCNc1cc(Br)cnc1C#N ZINC000853162046 620673833 /nfs/dbraw/zinc/67/38/33/620673833.db2.gz LQWWAGHGLQARPW-NSHDSACASA-N 0 3 323.238 3.002 20 30 DGEDHN CCN(CCO)c1ccc(C=NN2CCCC[C@@H]2C)c(C)c1 ZINC000853378464 620690260 /nfs/dbraw/zinc/69/02/60/620690260.db2.gz DBOGBXTZQOGBEZ-INIZCTEOSA-N 0 3 303.450 3.022 20 30 DGEDHN C[C@@H]1CCCCN1N=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000853380958 620690651 /nfs/dbraw/zinc/69/06/51/620690651.db2.gz UJLTUJFUBJTBTM-CVEARBPZSA-N 0 3 301.434 3.120 20 30 DGEDHN C=CCSCCNCc1cc(C#N)ccc1Br ZINC000921688752 620934427 /nfs/dbraw/zinc/93/44/27/620934427.db2.gz FAGPDFLRPSFBQE-UHFFFAOYSA-N 0 3 311.248 3.330 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000891895490 617922148 /nfs/dbraw/zinc/92/21/48/617922148.db2.gz KQHZFNUQBLKVFS-SFHVURJKSA-N 0 3 313.445 3.185 20 30 DGEDHN C#Cc1cccc(CNCc2cc(C(=O)OC)c(C(C)C)[nH]2)c1 ZINC000894942020 618502690 /nfs/dbraw/zinc/50/26/90/618502690.db2.gz OAHSSIHMCQPVCV-UHFFFAOYSA-N 0 3 310.397 3.196 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCC(C)(C)C#N)C1 ZINC000893552224 618601650 /nfs/dbraw/zinc/60/16/50/618601650.db2.gz SFWKXSWXUHDJIT-KRWDZBQOSA-N 0 3 309.454 3.163 20 30 DGEDHN COc1ccc(CN2CC[C@@H](CF)C2)cc1OCCCC#N ZINC000895573753 618800719 /nfs/dbraw/zinc/80/07/19/618800719.db2.gz LOVRAVBAWXJEBS-HNNXBMFYSA-N 0 3 306.381 3.169 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cnn(CC2CCC2)c1 ZINC000895786637 618830532 /nfs/dbraw/zinc/83/05/32/618830532.db2.gz XTSFRFIDGQEVTD-UHFFFAOYSA-N 0 3 308.429 3.229 20 30 DGEDHN C=CCC1(O)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000895835464 618839468 /nfs/dbraw/zinc/83/94/68/618839468.db2.gz GZZKSOCXSAHDES-UHFFFAOYSA-N 0 3 315.392 3.119 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000895834221 618839646 /nfs/dbraw/zinc/83/96/46/618839646.db2.gz HTRUGNFGHCCXAS-UHFFFAOYSA-N 0 3 301.430 3.378 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000895835993 618840100 /nfs/dbraw/zinc/84/01/00/618840100.db2.gz TYYDNZUHYAUEQQ-UHFFFAOYSA-N 0 3 319.445 3.385 20 30 DGEDHN C=CCC1(O)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000895835685 618840190 /nfs/dbraw/zinc/84/01/90/618840190.db2.gz LEPKRJOIYOODTB-UHFFFAOYSA-N 0 3 314.429 3.272 20 30 DGEDHN CO[C@]12CCC[C@@]1(NCc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC000896412063 618909288 /nfs/dbraw/zinc/90/92/88/618909288.db2.gz LRCYPHOWIHUREB-MOPGFXCFSA-N 0 3 312.413 3.017 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccn(C)n3)CC2)cc1 ZINC000896495091 618920110 /nfs/dbraw/zinc/92/01/10/618920110.db2.gz HKFFDFRVBLXLJM-OAHLLOKOSA-N 0 3 324.428 3.091 20 30 DGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896810800 618962657 /nfs/dbraw/zinc/96/26/57/618962657.db2.gz CERLZMCVXHBDNW-FZMZJTMJSA-N 0 3 316.298 3.287 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000896992786 618997876 /nfs/dbraw/zinc/99/78/76/618997876.db2.gz JELVNBGXUCVKND-FQEVSTJZSA-N 0 3 318.420 3.014 20 30 DGEDHN CCO[C@]12CCC[C@@]1(NCc1ccc(C#N)c(C)c1)CCO2 ZINC000897974983 619196748 /nfs/dbraw/zinc/19/67/48/619196748.db2.gz WLUSBULXZBUBSP-MSOLQXFVSA-N 0 3 300.402 3.032 20 30 DGEDHN COc1cc(CN2CC[C@H](Cc3nccs3)C2)ccc1C#N ZINC000898070980 619212498 /nfs/dbraw/zinc/21/24/98/619212498.db2.gz CNTSQSUSMDKHHN-CQSZACIVSA-N 0 3 313.426 3.088 20 30 DGEDHN N#CCCCOc1cccc(CNCc2ccc(CCO)cc2)c1 ZINC000898172622 619220417 /nfs/dbraw/zinc/22/04/17/619220417.db2.gz SCDSIPLMPOBADA-UHFFFAOYSA-N 0 3 324.424 3.194 20 30 DGEDHN C=CC(C)(C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000898457038 619276830 /nfs/dbraw/zinc/27/68/30/619276830.db2.gz JZNAVKPXTCGUGY-UHFFFAOYSA-N 0 3 300.196 3.218 20 30 DGEDHN CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2[O-])C1 ZINC000924754028 619325460 /nfs/dbraw/zinc/32/54/60/619325460.db2.gz RVAVUIRYZZUGSN-YOEHRIQHSA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)N1CCc2ccccc21 ZINC000902770054 619673239 /nfs/dbraw/zinc/67/32/39/619673239.db2.gz BVHSNKPWBBHYHR-HUUCEWRRSA-N 0 3 306.413 3.055 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1cccc(C#N)c1 ZINC000902771585 619673686 /nfs/dbraw/zinc/67/36/86/619673686.db2.gz IGKUHDAMOWFAJF-HNAYVOBHSA-N 0 3 321.424 3.304 20 30 DGEDHN Cc1cccc2oc(CCN[C@H](C)c3cc(C#N)ccn3)nc21 ZINC000902826956 619680057 /nfs/dbraw/zinc/68/00/57/619680057.db2.gz HIRGITUYMOSYNZ-CYBMUJFWSA-N 0 3 306.369 3.296 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902810091 619680688 /nfs/dbraw/zinc/68/06/88/619680688.db2.gz PSTKERHWKFLOPC-RHSMWYFYSA-N 0 3 324.403 3.412 20 30 DGEDHN CC[C@@]1(CN[C@@H](C)c2cc(C#N)ccn2)OCCc2ccccc21 ZINC000902992729 619700769 /nfs/dbraw/zinc/70/07/69/619700769.db2.gz LHXVPSHISFNXNC-YWZLYKJASA-N 0 3 321.424 3.482 20 30 DGEDHN C=CCC[C@H](NCC(=O)NCC(F)F)c1cccc(Cl)c1 ZINC000903166344 619728821 /nfs/dbraw/zinc/72/88/21/619728821.db2.gz BYAZQTVXAZWICT-ZDUSSCGKSA-N 0 3 316.779 3.318 20 30 DGEDHN CN(C)c1ccnc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000903199022 619735086 /nfs/dbraw/zinc/73/50/86/619735086.db2.gz RVDOGBOQGYOYLD-IBGZPJMESA-N 0 3 306.413 3.186 20 30 DGEDHN C[C@@H](N[C@H](CO)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000903290166 619755067 /nfs/dbraw/zinc/75/50/67/619755067.db2.gz SAYGZLQFGUHWDZ-PBHICJAKSA-N 0 3 312.388 3.342 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(Br)cn1 ZINC000903325871 619761218 /nfs/dbraw/zinc/76/12/18/619761218.db2.gz WXTMMYIMZACRDI-WCQYABFASA-N 0 3 310.239 3.464 20 30 DGEDHN CNc1ccccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000904440406 619923205 /nfs/dbraw/zinc/92/32/05/619923205.db2.gz YXEPNTULCRLVPY-UHFFFAOYSA-N 0 3 321.424 3.395 20 30 DGEDHN CN1CCN(Cc2ccccc2-c2csc(CC#N)c2)CC1 ZINC000904805232 619952880 /nfs/dbraw/zinc/95/28/80/619952880.db2.gz MHBDNHRNIGTLIV-UHFFFAOYSA-N 0 3 311.454 3.229 20 30 DGEDHN Oc1ccc(Cl)cc1/C=N/[C@@H]1CCCN2CCSC[C@H]12 ZINC000905004040 619964488 /nfs/dbraw/zinc/96/44/88/619964488.db2.gz ZKZVAHRSOWWCTQ-JDEPJGEESA-N 0 3 310.850 3.044 20 30 DGEDHN CC1/C(=C\c2cccc(OCC(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083132 619968450 /nfs/dbraw/zinc/96/84/50/619968450.db2.gz ZESHXAGHQYSMCS-TZZQWBKVSA-N 0 3 323.274 3.060 20 30 DGEDHN COCc1c(C)cc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905084669 619968776 /nfs/dbraw/zinc/96/87/76/619968776.db2.gz KBPRSFYSPCXAHZ-XKBFBRDOSA-N 0 3 311.385 3.191 20 30 DGEDHN CC[C@@](O)(CN[C@@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000905287645 619985756 /nfs/dbraw/zinc/98/57/56/619985756.db2.gz HBYJKPZSBZMEAT-HUUCEWRRSA-N 0 3 312.335 3.229 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000912023775 620360603 /nfs/dbraw/zinc/36/06/03/620360603.db2.gz RJMHJTRUKVCQCO-AWEZNQCLSA-N 0 3 314.351 3.347 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000912055957 620360864 /nfs/dbraw/zinc/36/08/64/620360864.db2.gz JLTSCCMYZUPTSF-AWEZNQCLSA-N 0 3 301.415 3.432 20 30 DGEDHN CCCCCCCCCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC000912113683 620366062 /nfs/dbraw/zinc/36/60/62/620366062.db2.gz QLNSXRRVBHERJB-AWEZNQCLSA-N 0 3 306.454 3.157 20 30 DGEDHN N#CC[C@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912291900 620377316 /nfs/dbraw/zinc/37/73/16/620377316.db2.gz LUOLOAUOQHCUBA-CQSZACIVSA-N 0 3 310.401 3.057 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000912389346 620383894 /nfs/dbraw/zinc/38/38/94/620383894.db2.gz WNBKGLCZJCARDK-RHSMWYFYSA-N 0 3 304.434 3.335 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000912389657 620383937 /nfs/dbraw/zinc/38/39/37/620383937.db2.gz ZNXVMYDQKQPHDX-HOCLYGCPSA-N 0 3 304.434 3.335 20 30 DGEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ccccn2)ccc1[O-] ZINC000916541534 620634320 /nfs/dbraw/zinc/63/43/20/620634320.db2.gz ZYUCPIFOHSCBJF-UHFFFAOYSA-N 0 3 312.417 3.465 20 30 DGEDHN C#CCN(C(=O)N[C@@H]1CCC[C@@H]1CCCC)C1CCN(C)CC1 ZINC000916548138 620634766 /nfs/dbraw/zinc/63/47/66/620634766.db2.gz JBKUGQVINTWWRU-FUHWJXTLSA-N 0 3 319.493 3.084 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc([S@](C)=O)cc1 ZINC000921823407 620955932 /nfs/dbraw/zinc/95/59/32/620955932.db2.gz WHTQKBKYZNUYAM-QFIPXVFZSA-N 0 3 312.438 3.202 20 30 DGEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2csc(C#N)c2)cc1 ZINC000921961822 620973907 /nfs/dbraw/zinc/97/39/07/620973907.db2.gz WWAQLXHIANBFFD-PXAZEXFGSA-N 0 3 316.426 3.494 20 30 DGEDHN C[C@@H]1[C@@H](NCc2csc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000922296118 621018446 /nfs/dbraw/zinc/01/84/46/621018446.db2.gz AOYTVNZHZGTWAE-RISCZKNCSA-N 0 3 321.446 3.107 20 30 DGEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617859 621024677 /nfs/dbraw/zinc/02/46/77/621024677.db2.gz RXRCPMPJAVFJRG-RHSMWYFYSA-N 0 3 312.413 3.228 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)ncn2C ZINC000922481186 621042132 /nfs/dbraw/zinc/04/21/32/621042132.db2.gz QHZAOQMYMIHXJJ-UHFFFAOYSA-N 0 3 304.397 3.352 20 30 DGEDHN C#Cc1cccc(CN[C@H]2CCN(C(C)=O)c3ccccc32)c1 ZINC000857077002 621055987 /nfs/dbraw/zinc/05/59/87/621055987.db2.gz GGOAIZKISSIWOB-IBGZPJMESA-N 0 3 304.393 3.255 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)O2)c(F)c1 ZINC000922698915 621084740 /nfs/dbraw/zinc/08/47/40/621084740.db2.gz TVKJIRUUMCDEQE-TZMCWYRMSA-N 0 3 316.298 3.287 20 30 DGEDHN Cc1ccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc1C#N ZINC000922760274 621095410 /nfs/dbraw/zinc/09/54/10/621095410.db2.gz RDYGASPSQNLPCG-HXUWFJFHSA-N 0 3 322.408 3.324 20 30 DGEDHN C#CCC1(NCc2cc3c(cc2OC(F)F)OCO3)CCC1 ZINC000922998861 621145574 /nfs/dbraw/zinc/14/55/74/621145574.db2.gz ZYQHHGPZYCZSKV-UHFFFAOYSA-N 0 3 309.312 3.052 20 30 DGEDHN Cc1ccc(O[C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)nc1 ZINC000858036726 621147978 /nfs/dbraw/zinc/14/79/78/621147978.db2.gz GZRUCWDQKXVZLU-YJBOKZPZSA-N 0 3 307.397 3.476 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(-c2scnc2C)cc1 ZINC000858334494 621176968 /nfs/dbraw/zinc/17/69/68/621176968.db2.gz OIXOKCAEPQEHIG-MRXNPFEDSA-N 0 3 300.427 3.246 20 30 DGEDHN CC(=O)N(C)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000858497332 621198013 /nfs/dbraw/zinc/19/80/13/621198013.db2.gz XTBBVTQXHKFPDL-AWEZNQCLSA-N 0 3 307.397 3.392 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1NC[C@H]1CCN1C1CCCC1 ZINC000858781455 621220809 /nfs/dbraw/zinc/22/08/09/621220809.db2.gz QZAYRCVIVCHHEY-CYBMUJFWSA-N 0 3 324.350 3.401 20 30 DGEDHN C#Cc1cccc(NC(=O)CN(C)CC2CCC(F)(F)CC2)c1 ZINC000838795649 621277465 /nfs/dbraw/zinc/27/74/65/621277465.db2.gz PPNPQNMYGDFTOW-UHFFFAOYSA-N 0 3 320.383 3.364 20 30 DGEDHN CO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000839190508 621346364 /nfs/dbraw/zinc/34/63/64/621346364.db2.gz HAWQVVIZJKQQIK-HZPDHXFCSA-N 0 3 320.820 3.290 20 30 DGEDHN CN1CCc2cc(C=NNCCCOc3ccccc3)ccc21 ZINC000752732046 621406524 /nfs/dbraw/zinc/40/65/24/621406524.db2.gz BIALBSWCWXHMHB-UHFFFAOYSA-N 0 3 309.413 3.072 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000860467020 621408040 /nfs/dbraw/zinc/40/80/40/621408040.db2.gz AMOJFWAITWZMFZ-KBPBESRZSA-N 0 3 322.792 3.193 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000860779443 621442228 /nfs/dbraw/zinc/44/22/28/621442228.db2.gz BKFHFRSOIBPJGT-WCQYABFASA-N 0 3 314.307 3.482 20 30 DGEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000754678013 621524096 /nfs/dbraw/zinc/52/40/96/621524096.db2.gz YXILYQZNUADTJA-ZIAGYGMSSA-N 0 3 319.474 3.438 20 30 DGEDHN COc1cccc(O)c1CN1CCc2c(CC#N)cccc2C1 ZINC000862542325 621598886 /nfs/dbraw/zinc/59/88/86/621598886.db2.gz MEMOMWUBUGEVCY-UHFFFAOYSA-N 0 3 308.381 3.025 20 30 DGEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000756234483 621622433 /nfs/dbraw/zinc/62/24/33/621622433.db2.gz USHJBJOJBYEWDX-XJKSGUPXSA-N 0 3 324.380 3.160 20 30 DGEDHN COC1([C@@H](C)NCc2cc(Cl)ccc2OCC#N)CCC1 ZINC000839660949 621705004 /nfs/dbraw/zinc/70/50/04/621705004.db2.gz QGFFHHUBJXZQGJ-GFCCVEGCSA-N 0 3 308.809 3.290 20 30 DGEDHN C#C[C@@H](CC)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809686234 621708408 /nfs/dbraw/zinc/70/84/08/621708408.db2.gz CLDGJNXSPNILKW-HNNXBMFYSA-N 0 3 301.390 3.087 20 30 DGEDHN C#CC[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC000757617206 621728893 /nfs/dbraw/zinc/72/88/93/621728893.db2.gz NBLBDMHWXHBBBK-IBGZPJMESA-N 0 3 306.409 3.243 20 30 DGEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)Cn1cccc(C#N)c1=O ZINC000758222933 621767904 /nfs/dbraw/zinc/76/79/04/621767904.db2.gz IYXKNIUKCDEALW-IBGZPJMESA-N 0 3 323.440 3.329 20 30 DGEDHN C#CCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000759431611 621858341 /nfs/dbraw/zinc/85/83/41/621858341.db2.gz LYONRHXDOIPKRB-MRXNPFEDSA-N 0 3 310.397 3.262 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc(Cl)cs1 ZINC000759431702 621858420 /nfs/dbraw/zinc/85/84/20/621858420.db2.gz NRWDRNYXYSZWDO-LLVKDONJSA-N 0 3 304.758 3.363 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(cccc3C3CC3)[nH]2)CC1 ZINC000865194240 621872520 /nfs/dbraw/zinc/87/25/20/621872520.db2.gz SGFATPCKZXGGPB-UHFFFAOYSA-N 0 3 323.440 3.426 20 30 DGEDHN C#CCCCC(=O)O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000759615435 621875718 /nfs/dbraw/zinc/87/57/18/621875718.db2.gz ZHSVHPCBPPBYDV-LJQANCHMSA-N 0 3 311.425 3.096 20 30 DGEDHN C#CCCCC(=O)O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000759615432 621875745 /nfs/dbraw/zinc/87/57/45/621875745.db2.gz ZHSVHPCBPPBYDV-IBGZPJMESA-N 0 3 311.425 3.096 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=CSCc2ccco2)nc(C)n1 ZINC000759820997 621893352 /nfs/dbraw/zinc/89/33/52/621893352.db2.gz GCAWEASSDBGUMY-BRLPQQTGSA-N 0 3 313.382 3.310 20 30 DGEDHN N#Cc1cc(C(F)(F)F)cc(N2CCN(C3CCCC3)CC2)n1 ZINC000865433490 621919699 /nfs/dbraw/zinc/91/96/99/621919699.db2.gz DJZFEFVNSJVNJS-UHFFFAOYSA-N 0 3 324.350 3.037 20 30 DGEDHN CC[C@H](C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760334520 621932603 /nfs/dbraw/zinc/93/26/03/621932603.db2.gz PAFVAWJIHCZMSL-DZGCQCFKSA-N 0 3 309.369 3.245 20 30 DGEDHN C#CCCOc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000865726581 621984481 /nfs/dbraw/zinc/98/44/81/621984481.db2.gz ZOBLNVXGGOPTJK-UHFFFAOYSA-N 0 3 321.420 3.451 20 30 DGEDHN C[C@H]1CC(N=Nc2ccc(F)cc2Br)CN1C ZINC000761804535 622030524 /nfs/dbraw/zinc/03/05/24/622030524.db2.gz PZTKFOCQGGPHSS-QMMMGPOBSA-N 0 3 300.175 3.080 20 30 DGEDHN C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccc(C#N)c1[O-] ZINC000866237472 622072722 /nfs/dbraw/zinc/07/27/22/622072722.db2.gz DGSRAPALDUCJAA-LSDHHAIUSA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C#N)c1[O-] ZINC000866279475 622083818 /nfs/dbraw/zinc/08/38/18/622083818.db2.gz UYXWZIGQBBRBSS-CQSZACIVSA-N 0 3 313.445 3.321 20 30 DGEDHN CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866308024 622090126 /nfs/dbraw/zinc/09/01/26/622090126.db2.gz OQVXLOGVVGONDA-HOTGVXAUSA-N 0 3 315.461 3.282 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000762795156 622098895 /nfs/dbraw/zinc/09/88/95/622098895.db2.gz QPFPQHQTNPMKSH-HNNXBMFYSA-N 0 3 300.450 3.003 20 30 DGEDHN C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccc(C#N)c1[O-] ZINC000866346638 622099255 /nfs/dbraw/zinc/09/92/55/622099255.db2.gz MOMHDEYDLBLBKB-AWEZNQCLSA-N 0 3 301.434 3.036 20 30 DGEDHN COCC#CCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000762925432 622111121 /nfs/dbraw/zinc/11/11/21/622111121.db2.gz FZHHLHIFPQYNBN-HZPDHXFCSA-N 0 3 307.459 3.066 20 30 DGEDHN CCCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000867633484 622175668 /nfs/dbraw/zinc/17/56/68/622175668.db2.gz ZWNKMUZMQASAPQ-LBPRGKRZSA-N 0 3 301.415 3.204 20 30 DGEDHN CC(C)c1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121733530 622176367 /nfs/dbraw/zinc/17/63/67/622176367.db2.gz ZVBZNFDXKKHLIB-SUMWQHHRSA-N 0 3 312.413 3.291 20 30 DGEDHN COCCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000765016726 622240029 /nfs/dbraw/zinc/24/00/29/622240029.db2.gz YOXAETSPRCCQPC-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C#N ZINC000805901657 625552940 /nfs/dbraw/zinc/55/29/40/625552940.db2.gz STNYPIKAJILJCG-OAHLLOKOSA-N 0 3 314.429 3.380 20 30 DGEDHN C#C[C@@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805902079 625556849 /nfs/dbraw/zinc/55/68/49/625556849.db2.gz HODYFALHYIBPAB-GOSISDBHSA-N 0 3 311.425 3.244 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440758 622456131 /nfs/dbraw/zinc/45/61/31/622456131.db2.gz GJNYNIHIAAHNLX-GOSISDBHSA-N 0 3 311.381 3.006 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440758 622456132 /nfs/dbraw/zinc/45/61/32/622456132.db2.gz GJNYNIHIAAHNLX-GOSISDBHSA-N 0 3 311.381 3.006 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440758 622456134 /nfs/dbraw/zinc/45/61/34/622456134.db2.gz GJNYNIHIAAHNLX-GOSISDBHSA-N 0 3 311.381 3.006 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000123237774 622489182 /nfs/dbraw/zinc/48/91/82/622489182.db2.gz RWTIWIWCXASDAJ-BFQQYWJISA-N 0 3 316.445 3.471 20 30 DGEDHN C#CCOc1ccccc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000769229912 622508918 /nfs/dbraw/zinc/50/89/18/622508918.db2.gz UPXGCHBHRWAIOU-LJQANCHMSA-N 0 3 306.409 3.385 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000769535685 622538747 /nfs/dbraw/zinc/53/87/47/622538747.db2.gz QEMKIBHRPPTGLX-INIZCTEOSA-N 0 3 323.868 3.195 20 30 DGEDHN CCOC(=O)C1(C/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])CC1 ZINC000769719098 622553152 /nfs/dbraw/zinc/55/31/52/622553152.db2.gz ZUEURQGDRVVHFY-XDHOZWIPSA-N 0 3 318.417 3.001 20 30 DGEDHN C#Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000771504915 622769328 /nfs/dbraw/zinc/76/93/28/622769328.db2.gz NICFNEYBGKLMMD-BEFAXECRSA-N 0 3 321.424 3.481 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068895 622787372 /nfs/dbraw/zinc/78/73/72/622787372.db2.gz KKPAUVIOMCRPRJ-WQGACYEGSA-N 0 3 308.353 3.366 20 30 DGEDHN Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000123981147 622855461 /nfs/dbraw/zinc/85/54/61/622855461.db2.gz YRMMPWPGHUHEQJ-YOEHRIQHSA-N 0 3 312.413 3.256 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645180 622922655 /nfs/dbraw/zinc/92/26/55/622922655.db2.gz WMJSHDSFMVFFDO-LQPUYASZSA-N 0 3 312.760 3.032 20 30 DGEDHN CN1CCN(c2ccc(NCc3ccc(C#N)cc3F)cc2)CC1 ZINC000772929741 622954905 /nfs/dbraw/zinc/95/49/05/622954905.db2.gz UPANOYVVMAWRGB-UHFFFAOYSA-N 0 3 324.403 3.061 20 30 DGEDHN CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805914118 625609424 /nfs/dbraw/zinc/60/94/24/625609424.db2.gz BLVPOIDCYKHRLX-MRXNPFEDSA-N 0 3 300.402 3.377 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1ccoc1 ZINC000773979206 623096232 /nfs/dbraw/zinc/09/62/32/623096232.db2.gz GDDKXMQBVAKSAX-MRXNPFEDSA-N 0 3 324.380 3.294 20 30 DGEDHN N#CCCNC(=O)CN[C@H](CC1CCCCC1)c1ccccc1 ZINC000775322134 623254174 /nfs/dbraw/zinc/25/41/74/623254174.db2.gz FVQYFUBOKOCNSR-GOSISDBHSA-N 0 3 313.445 3.318 20 30 DGEDHN COC(=O)Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000775336009 623255316 /nfs/dbraw/zinc/25/53/16/623255316.db2.gz XKYNYMGJGFJIGO-CQSZACIVSA-N 0 3 308.381 3.125 20 30 DGEDHN N#CCSCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000805542984 623255608 /nfs/dbraw/zinc/25/56/08/623255608.db2.gz WBIXVADHDZOPAU-UHFFFAOYSA-N 0 3 318.442 3.086 20 30 DGEDHN CC[C@](C)(NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000775396729 623267105 /nfs/dbraw/zinc/26/71/05/623267105.db2.gz USCSJFVOYNQLLE-SFHVURJKSA-N 0 3 313.445 3.244 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)COc1cc(C)cc(C)c1)c1ccccc1 ZINC000775398575 623267860 /nfs/dbraw/zinc/26/78/60/623267860.db2.gz KAGATGXBOOHXMJ-PZJWPPBQSA-N 0 3 323.436 3.397 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc(OC(C)(C)C)c2)CC1 ZINC000874436425 623270088 /nfs/dbraw/zinc/27/00/88/623270088.db2.gz GHIXPNOFOOJYJG-UHFFFAOYSA-N 0 3 316.445 3.244 20 30 DGEDHN CC[C@H](C#N)Oc1cc(CNCc2ccn(C)c2)ccc1OC ZINC000125455986 623461043 /nfs/dbraw/zinc/46/10/43/623461043.db2.gz QNCBMWRCLYSDNL-MRXNPFEDSA-N 0 3 313.401 3.004 20 30 DGEDHN C[C@@H](NCc1n[nH]c(-c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000777574333 623543603 /nfs/dbraw/zinc/54/36/03/623543603.db2.gz IFLIVXFSRTUWQO-GFCCVEGCSA-N 0 3 321.359 3.333 20 30 DGEDHN C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC000777577073 623544992 /nfs/dbraw/zinc/54/49/92/623544992.db2.gz ZFSHYHYEIKNAJT-ZDUSSCGKSA-N 0 3 303.369 3.194 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC1(CCOC)CC1 ZINC000778173421 623620651 /nfs/dbraw/zinc/62/06/51/623620651.db2.gz JTYFANTVHFGPPF-UHFFFAOYSA-N 0 3 307.821 3.258 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Br)c(C)c1 ZINC000876547377 623639666 /nfs/dbraw/zinc/63/96/66/623639666.db2.gz QLASVJOUMVWHTP-LLVKDONJSA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccc(Cl)s1 ZINC000876562250 623645419 /nfs/dbraw/zinc/64/54/19/623645419.db2.gz UZNOOZIDAFPCHB-SNVBAGLBSA-N 0 3 307.246 3.220 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1c(CC)oc2ccccc21 ZINC000876567854 623646634 /nfs/dbraw/zinc/64/66/34/623646634.db2.gz RZVZJYYRHBSEIK-AWEZNQCLSA-N 0 3 320.820 3.424 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(CC)cc1)C1CC1 ZINC000876585373 623651383 /nfs/dbraw/zinc/65/13/83/623651383.db2.gz JPLJMDWDQQAPJO-MRXNPFEDSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000876589497 623653273 /nfs/dbraw/zinc/65/32/73/623653273.db2.gz NCTZMJDDGWWRBJ-ZWNOBZJWSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000876593072 623654837 /nfs/dbraw/zinc/65/48/37/623654837.db2.gz WWJSYPUBSXMHCG-DOMZBBRYSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)[C@@H]1CCc2ccccc21 ZINC000876597607 623656024 /nfs/dbraw/zinc/65/60/24/623656024.db2.gz HZQBOUYTVHBXLY-HZPDHXFCSA-N 0 3 306.837 3.382 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)[C@H]1CCc2ccccc21 ZINC000876597605 623656029 /nfs/dbraw/zinc/65/60/29/623656029.db2.gz HZQBOUYTVHBXLY-HOTGVXAUSA-N 0 3 306.837 3.382 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@@H](C)c1cccc(OC)c1 ZINC000876605312 623657392 /nfs/dbraw/zinc/65/73/92/623657392.db2.gz KXSQZRLOWCVRKD-WFASDCNBSA-N 0 3 310.825 3.075 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000876626091 623662952 /nfs/dbraw/zinc/66/29/52/623662952.db2.gz ODZLGUSNAVNMTF-ZFWWWQNUSA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000876643856 623668745 /nfs/dbraw/zinc/66/87/45/623668745.db2.gz OSDONPIYOGLRKK-SNVBAGLBSA-N 0 3 305.230 3.470 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000876648516 623670422 /nfs/dbraw/zinc/67/04/22/623670422.db2.gz AOJUYNWMCXAVLO-INIZCTEOSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000876647940 623670448 /nfs/dbraw/zinc/67/04/48/623670448.db2.gz SGVSZMYSARCVBY-LLVKDONJSA-N 0 3 322.714 3.018 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000876662810 623674530 /nfs/dbraw/zinc/67/45/30/623674530.db2.gz ZTAXKNSBRYNBCZ-UONOGXRCSA-N 0 3 314.763 3.098 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)C(C)(C)c1ccccc1 ZINC000876679515 623680020 /nfs/dbraw/zinc/68/00/20/623680020.db2.gz QSKSCCATUADHNM-CABCVRRESA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC)CCc1ccccc1 ZINC000876680548 623680603 /nfs/dbraw/zinc/68/06/03/623680603.db2.gz FLTAWNAKNCTBJQ-JKSUJKDBSA-N 0 3 308.853 3.374 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000876685197 623681136 /nfs/dbraw/zinc/68/11/36/623681136.db2.gz MUHYUMFODRQVLO-OAHLLOKOSA-N 0 3 308.853 3.201 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000876685691 623682010 /nfs/dbraw/zinc/68/20/10/623682010.db2.gz ULFMGOUMQLJKGQ-WQVCFCJDSA-N 0 3 306.837 3.109 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000876699798 623685785 /nfs/dbraw/zinc/68/57/85/623685785.db2.gz JDMHAPASRCECPZ-CQSZACIVSA-N 0 3 319.792 3.367 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000876711864 623687659 /nfs/dbraw/zinc/68/76/59/623687659.db2.gz HISASRQRNMUDRQ-MNOVXSKESA-N 0 3 323.849 3.286 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000876878636 623734388 /nfs/dbraw/zinc/73/43/88/623734388.db2.gz HXYYXHCTJXROFM-HNNXBMFYSA-N 0 3 306.837 3.037 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@H]1C[C@H](C)O ZINC000779158694 623736675 /nfs/dbraw/zinc/73/66/75/623736675.db2.gz WZFZEYLOAMKNQT-KBPBESRZSA-N 0 3 307.821 3.087 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)[C@H]1CCCc2cccnc21 ZINC000876900771 623740096 /nfs/dbraw/zinc/74/00/96/623740096.db2.gz QRFVISWQRGMUPI-CABCVRRESA-N 0 3 321.852 3.168 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000876904262 623741032 /nfs/dbraw/zinc/74/10/32/623741032.db2.gz XEESXHFTVQJKMB-ZETOZRRWSA-N 0 3 310.800 3.130 20 30 DGEDHN COCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000779206655 623741779 /nfs/dbraw/zinc/74/17/79/623741779.db2.gz QTKJLNWQOZIUMJ-JTQLQIEISA-N 0 3 304.346 3.038 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CCC1 ZINC000876940393 623750611 /nfs/dbraw/zinc/75/06/11/623750611.db2.gz UKSFLRRSYAAPBM-ZDUSSCGKSA-N 0 3 313.228 3.305 20 30 DGEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000126308057 623771626 /nfs/dbraw/zinc/77/16/26/623771626.db2.gz NUSQRCSPPSVIEZ-OAHLLOKOSA-N 0 3 321.380 3.097 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000877053802 623777228 /nfs/dbraw/zinc/77/72/28/623777228.db2.gz BNZSZPODPLQXBA-LSDHHAIUSA-N 0 3 324.827 3.390 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CC1)c1ccc(OCC)cc1 ZINC000877131202 623799689 /nfs/dbraw/zinc/79/96/89/623799689.db2.gz WKDCYXUCJRIXHX-INIZCTEOSA-N 0 3 322.836 3.298 20 30 DGEDHN CN(C)[C@@H](CNCc1cc(C#N)cnc1Cl)c1cccs1 ZINC000877142772 623804909 /nfs/dbraw/zinc/80/49/09/623804909.db2.gz WALLSZYIFKFWDV-ZDUSSCGKSA-N 0 3 320.849 3.061 20 30 DGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2cc(C#N)cnc2Cl)C1 ZINC000877149748 623809194 /nfs/dbraw/zinc/80/91/94/623809194.db2.gz RYGGWHKIKCVDAB-SJKOYZFVSA-N 0 3 321.852 3.274 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccccc2F)C1(C)C ZINC000877255971 623837655 /nfs/dbraw/zinc/83/76/55/623837655.db2.gz LHGPZLOQGKATMV-UKRRQHHQSA-N 0 3 324.827 3.390 20 30 DGEDHN CCCN(CCC)c1ccc(C=NN[C@@H]2CCCOC2)cc1 ZINC000780260429 623898580 /nfs/dbraw/zinc/89/85/80/623898580.db2.gz FOQUPGQQHWKWFS-QGZVFWFLSA-N 0 3 303.450 3.416 20 30 DGEDHN N#Cc1cnc(Cl)c(CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000877557180 623940304 /nfs/dbraw/zinc/94/03/04/623940304.db2.gz OKHDQEKEIYEBNO-UHFFFAOYSA-N 0 3 319.836 3.124 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2CC1(CN1CCC[C@@H](CC#N)C1)C2 ZINC000877622861 623967097 /nfs/dbraw/zinc/96/70/97/623967097.db2.gz UZKXQPUPBFKODA-SYJJWHGVSA-N 0 3 319.449 3.012 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877662126 623981954 /nfs/dbraw/zinc/98/19/54/623981954.db2.gz NKSQWCVLNAIEFA-INIZCTEOSA-N 0 3 318.417 3.162 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877662127 623982119 /nfs/dbraw/zinc/98/21/19/623982119.db2.gz NKSQWCVLNAIEFA-MRXNPFEDSA-N 0 3 318.417 3.162 20 30 DGEDHN COc1cc(CN2CC[C@@H](c3nc(C)cs3)C2)ccc1C#N ZINC000877813243 624044047 /nfs/dbraw/zinc/04/40/47/624044047.db2.gz FQUOALYJTHMREB-OAHLLOKOSA-N 0 3 313.426 3.321 20 30 DGEDHN C[C@H]1CCCN(CC2(CC#N)CC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000878163070 624195037 /nfs/dbraw/zinc/19/50/37/624195037.db2.gz TZZNSUXVGGOJJQ-LSDHHAIUSA-N 0 3 321.465 3.305 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN(CC3(CC#N)CC3)C2)C1 ZINC000878433815 624277516 /nfs/dbraw/zinc/27/75/16/624277516.db2.gz CHMMGIFEPQFWMN-SFHVURJKSA-N 0 3 319.449 3.013 20 30 DGEDHN N#CCC1(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC000878701656 624343745 /nfs/dbraw/zinc/34/37/45/624343745.db2.gz UUVYUQCDHNRUMZ-QGZVFWFLSA-N 0 3 320.383 3.404 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc(F)cc2F)CC1 ZINC000878751237 624353658 /nfs/dbraw/zinc/35/36/58/624353658.db2.gz VLWSSJSUIUJDIT-UHFFFAOYSA-N 0 3 322.399 3.009 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)o1 ZINC000878766528 624356296 /nfs/dbraw/zinc/35/62/96/624356296.db2.gz ZIJVAHVTWFLTTR-OALUTQOASA-N 0 3 310.397 3.109 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000879240504 624458015 /nfs/dbraw/zinc/45/80/15/624458015.db2.gz MHLZFCUFJLSXRB-MOPGFXCFSA-N 0 3 310.372 3.395 20 30 DGEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)ccc1F ZINC000879243621 624458677 /nfs/dbraw/zinc/45/86/77/624458677.db2.gz KCJBZPCQRHRPAJ-RTBURBONSA-N 0 3 310.372 3.395 20 30 DGEDHN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@@H]1C#N ZINC000879307747 624492197 /nfs/dbraw/zinc/49/21/97/624492197.db2.gz CLAYVJKQZJNBNT-CVEARBPZSA-N 0 3 321.465 3.258 20 30 DGEDHN COC(=O)c1ccc(CN(C)CCc2cccc(C#N)c2)s1 ZINC000879434804 624546304 /nfs/dbraw/zinc/54/63/04/624546304.db2.gz YUBPITPCQYYYTR-UHFFFAOYSA-N 0 3 314.410 3.081 20 30 DGEDHN COC(=O)C[C@@](C)(NCC#Cc1ccccc1Cl)C1CC1 ZINC000879442669 624549719 /nfs/dbraw/zinc/54/97/19/624549719.db2.gz XQAJQRRMUNMGEU-QGZVFWFLSA-N 0 3 305.805 3.013 20 30 DGEDHN COC(=O)C[C@@](C)(NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000879441521 624549727 /nfs/dbraw/zinc/54/97/27/624549727.db2.gz VSWJJKSLRYBZTD-QGZVFWFLSA-N 0 3 305.805 3.013 20 30 DGEDHN COc1cccc([C@@H]2CN(Cc3ccc(C#N)c(C)c3)CCN2)c1 ZINC000879525179 624577557 /nfs/dbraw/zinc/57/75/57/624577557.db2.gz UTKJAWUCBOCEFJ-FQEVSTJZSA-N 0 3 321.424 3.022 20 30 DGEDHN Cc1cncc([C@H]2CCCN2CCOc2cccc(C#N)c2)c1 ZINC000879747170 624662078 /nfs/dbraw/zinc/66/20/78/624662078.db2.gz JIMFYXBMTQAQRO-LJQANCHMSA-N 0 3 307.397 3.478 20 30 DGEDHN Cc1csc([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000880008572 624751038 /nfs/dbraw/zinc/75/10/38/624751038.db2.gz UDEPUUXBCSGQOU-CYBMUJFWSA-N 0 3 301.390 3.452 20 30 DGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880064008 624772452 /nfs/dbraw/zinc/77/24/52/624772452.db2.gz IXEBZIVUPOLHFN-IUODEOHRSA-N 0 3 312.335 3.142 20 30 DGEDHN COc1cc2c(cc1OC)[C@@H](C)N(CCCSCC#N)CC2 ZINC000880089976 624781176 /nfs/dbraw/zinc/78/11/76/624781176.db2.gz FFKULLABCIZDRG-CYBMUJFWSA-N 0 3 320.458 3.270 20 30 DGEDHN COc1cc2c(cc1OC)[C@H](C)N(CCCSCC#N)CC2 ZINC000880089977 624781234 /nfs/dbraw/zinc/78/12/34/624781234.db2.gz FFKULLABCIZDRG-ZDUSSCGKSA-N 0 3 320.458 3.270 20 30 DGEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530819 624911465 /nfs/dbraw/zinc/91/14/65/624911465.db2.gz KFSWRSLISKZPMY-RISCZKNCSA-N 0 3 306.793 3.101 20 30 DGEDHN CC(C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533182 624913427 /nfs/dbraw/zinc/91/34/27/624913427.db2.gz DWIGHCRQRACMOA-AWEZNQCLSA-N 0 3 306.793 3.101 20 30 DGEDHN CCOC(=O)c1sc([C@H]2CCN([C@@H](C)CCC#N)C2)nc1C ZINC000880324822 624919744 /nfs/dbraw/zinc/91/97/44/624919744.db2.gz NLWMLQYTYADBCK-AAEUAGOBSA-N 0 3 321.446 3.110 20 30 DGEDHN CC(C)(C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786567534 624922356 /nfs/dbraw/zinc/92/23/56/624922356.db2.gz DGVMVJYUFUJKLF-GFCCVEGCSA-N 0 3 322.355 3.116 20 30 DGEDHN C=CCCC[C@@H](NCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000880387519 624947781 /nfs/dbraw/zinc/94/77/81/624947781.db2.gz BOPDVCAXBMXOAN-QGZVFWFLSA-N 0 3 309.475 3.497 20 30 DGEDHN CC(C)(C)OCCCN1CCN(CCCC(C)(C)C#N)CC1 ZINC000880412237 624953485 /nfs/dbraw/zinc/95/34/85/624953485.db2.gz SYIXXABZBFDATR-UHFFFAOYSA-N 0 3 309.498 3.139 20 30 DGEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@H](CO)c1ccccc1 ZINC000880464022 624961986 /nfs/dbraw/zinc/96/19/86/624961986.db2.gz ODDQUTGUEOSYTH-GOSISDBHSA-N 0 3 310.397 3.122 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cc1ccc(C)o1)c1ccccc1 ZINC000787035367 624972654 /nfs/dbraw/zinc/97/26/54/624972654.db2.gz LUHVGJBQOOIBQN-IAGOWNOFSA-N 0 3 324.380 3.107 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1CC(F)(F)C1)c1ccccc1 ZINC000787046145 624974077 /nfs/dbraw/zinc/97/40/77/624974077.db2.gz NQZQHYXDYVRAAA-ZIAGYGMSSA-N 0 3 320.339 3.008 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCC(C)(F)F)c1ccccc1 ZINC000787042054 624974141 /nfs/dbraw/zinc/97/41/41/624974141.db2.gz SBMNQZDDOKPDLC-UONOGXRCSA-N 0 3 322.355 3.398 20 30 DGEDHN C[C@@H]1CCC[C@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787068708 624975590 /nfs/dbraw/zinc/97/55/90/624975590.db2.gz ZIGMPIBMIZQXIZ-HYVNUMGLSA-N 0 3 312.413 3.180 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000787072931 624975799 /nfs/dbraw/zinc/97/57/99/624975799.db2.gz MCBAQRXKKNOBAC-KRWDZBQOSA-N 0 3 312.413 3.324 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787072203 624975891 /nfs/dbraw/zinc/97/58/91/624975891.db2.gz FQNKLAWFPOHWFO-RDJZCZTQSA-N 0 3 314.429 3.426 20 30 DGEDHN C/C(C=NNCCN1CCCCC1)=C\c1cccc([N+](=O)[O-])c1 ZINC000787154590 624984145 /nfs/dbraw/zinc/98/41/45/624984145.db2.gz WZCZRDKEXGYNLU-FBFMOYFRSA-N 0 3 316.405 3.059 20 30 DGEDHN CCCCCCN(C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000787844847 625063739 /nfs/dbraw/zinc/06/37/39/625063739.db2.gz QRUQBJNNPMGMGK-SFHVURJKSA-N 0 3 313.445 3.174 20 30 DGEDHN CCN(CC)c1ccc(C=NN[C@H](CO)c2ccccc2)cc1 ZINC000788469187 625188389 /nfs/dbraw/zinc/18/83/89/625188389.db2.gz OYIBEZZGTADREM-LJQANCHMSA-N 0 3 311.429 3.190 20 30 DGEDHN Cc1cccc([C@H](C)N2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000791052260 625744579 /nfs/dbraw/zinc/74/45/79/625744579.db2.gz WSWKEYRBWQSBOI-INIZCTEOSA-N 0 3 306.413 3.145 20 30 DGEDHN Cc1cccc([C@@H](C)N2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000791052261 625744863 /nfs/dbraw/zinc/74/48/63/625744863.db2.gz WSWKEYRBWQSBOI-MRXNPFEDSA-N 0 3 306.413 3.145 20 30 DGEDHN N#CC(C(=O)CCc1cccnc1)c1nccc2ccccc21 ZINC000792105119 625910080 /nfs/dbraw/zinc/91/00/80/625910080.db2.gz ZVZUBUVIZXTOBT-QGZVFWFLSA-N 0 3 301.349 3.439 20 30 DGEDHN C#Cc1ccc(CNCc2cccc(C3(C)OCCO3)c2)cc1 ZINC000883128347 625935210 /nfs/dbraw/zinc/93/52/10/625935210.db2.gz CBASJQKETYTGEH-UHFFFAOYSA-N 0 3 307.393 3.177 20 30 DGEDHN C=CCC[C@@H](CO)NCc1c(Cl)cccc1N1CCCC1 ZINC000883138510 625941058 /nfs/dbraw/zinc/94/10/58/625941058.db2.gz GQKHXDIVUKJWRX-AWEZNQCLSA-N 0 3 308.853 3.357 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccc(CC)cc1 ZINC000796449430 626050832 /nfs/dbraw/zinc/05/08/32/626050832.db2.gz NLCZZBUUVDSNFC-LJQANCHMSA-N 0 3 309.409 3.084 20 30 DGEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccncc1 ZINC000796772415 626080989 /nfs/dbraw/zinc/08/09/89/626080989.db2.gz RTEHIJJWOVXJFJ-XJKSGUPXSA-N 0 3 323.396 3.381 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOC(C)(C)C)c1 ZINC000796786521 626082791 /nfs/dbraw/zinc/08/27/91/626082791.db2.gz DQHAUZVNMCJHTM-OAHLLOKOSA-N 0 3 316.401 3.238 20 30 DGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000797548783 626152070 /nfs/dbraw/zinc/15/20/70/626152070.db2.gz OQKJUFWHUSFLSI-OAHLLOKOSA-N 0 3 310.353 3.366 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1C1CC1 ZINC000798817215 626247421 /nfs/dbraw/zinc/24/74/21/626247421.db2.gz VFTGQAUBRPQOOF-CYBMUJFWSA-N 0 3 324.336 3.127 20 30 DGEDHN CC(C)[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)C ZINC000798826749 626248647 /nfs/dbraw/zinc/24/86/47/626248647.db2.gz AZJQBQBDWLHQHL-FZMZJTMJSA-N 0 3 319.405 3.198 20 30 DGEDHN CC(=NNCC(C)(C)CO)c1ccc(N2CCCCC2)cc1 ZINC000799115612 626273849 /nfs/dbraw/zinc/27/38/49/626273849.db2.gz HQLNVRLIMRFMMY-UHFFFAOYSA-N 0 3 303.450 3.009 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1C#N ZINC000799367278 626296512 /nfs/dbraw/zinc/29/65/12/626296512.db2.gz GMLXWCYYXFPTGS-DNVCBOLYSA-N 0 3 321.424 3.288 20 30 DGEDHN CCCCCCCS(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000799755456 626327516 /nfs/dbraw/zinc/32/75/16/626327516.db2.gz KXCWIGFXPLJXOS-UHFFFAOYSA-N 0 3 318.527 3.091 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800385542 626355203 /nfs/dbraw/zinc/35/52/03/626355203.db2.gz ZMIOLNLNUXETKI-AAEUAGOBSA-N 0 3 306.312 3.159 20 30 DGEDHN CC(C)CN(CCC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000801518205 626406911 /nfs/dbraw/zinc/40/69/11/626406911.db2.gz ZNYXBAMDOPAJTR-KRWDZBQOSA-N 0 3 313.445 3.020 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000801551838 626409658 /nfs/dbraw/zinc/40/96/58/626409658.db2.gz URFNVMGQAULGCY-KRWDZBQOSA-N 0 3 320.440 3.453 20 30 DGEDHN CCCC(C)(C)N(CC(=O)NCCC#N)Cc1cccs1 ZINC000801998243 626429170 /nfs/dbraw/zinc/42/91/70/626429170.db2.gz ZYFUTSHXDBOUHK-UHFFFAOYSA-N 0 3 307.463 3.159 20 30 DGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000802797478 626573499 /nfs/dbraw/zinc/57/34/99/626573499.db2.gz WAZVHSJFUXVBQV-YPMHNXCESA-N 0 3 322.355 3.116 20 30 DGEDHN C=CCC[C@H](NCc1snnc1C)[C@@H]1Cc2ccccc2O1 ZINC000883224939 626614903 /nfs/dbraw/zinc/61/49/03/626614903.db2.gz VZNDOSIOWJCXFP-HOCLYGCPSA-N 0 3 315.442 3.275 20 30 DGEDHN C=CCC[C@@H](NCc1nccn1CC)[C@H]1Cc2ccccc2O1 ZINC000883225578 626615092 /nfs/dbraw/zinc/61/50/92/626615092.db2.gz JUYFIJWWEOTMSN-SJLPKXTDSA-N 0 3 311.429 3.331 20 30 DGEDHN C=CCC[C@H](N[C@@H]1CCn2ccnc21)[C@@H]1Cc2ccccc2O1 ZINC000883226236 626615409 /nfs/dbraw/zinc/61/54/09/626615409.db2.gz URWUQCPRIXSLLL-JZXOWHBKSA-N 0 3 309.413 3.256 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000883389247 626670130 /nfs/dbraw/zinc/67/01/30/626670130.db2.gz MVWYTHUFQLOAJS-NEPJUHHUSA-N 0 3 313.825 3.335 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1cccc(Br)c1F ZINC000883400195 626673128 /nfs/dbraw/zinc/67/31/28/626673128.db2.gz GOPYALFYGJSVTK-LLVKDONJSA-N 0 3 302.187 3.005 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C)c(C#N)c1 ZINC000804566613 626694023 /nfs/dbraw/zinc/69/40/23/626694023.db2.gz XDRXBGDJIYEFJZ-UHFFFAOYSA-N 0 3 313.445 3.205 20 30 DGEDHN C#Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000809598134 626923895 /nfs/dbraw/zinc/92/38/95/626923895.db2.gz AJCPWQIPTPBQQA-UHFFFAOYSA-N 0 3 305.425 3.032 20 30 DGEDHN C#Cc1ccc(CNc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000809597463 626924016 /nfs/dbraw/zinc/92/40/16/626924016.db2.gz GIXIGJMGWIHHOQ-UHFFFAOYSA-N 0 3 319.452 3.027 20 30 DGEDHN C#Cc1ccc(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000809654853 626933375 /nfs/dbraw/zinc/93/33/75/626933375.db2.gz RMALBCLCLWNQBA-PBHICJAKSA-N 0 3 314.429 3.013 20 30 DGEDHN C#C[C@H](NCC1=Cc2cc(Br)ccc2OC1)C(C)C ZINC000809685547 626936036 /nfs/dbraw/zinc/93/60/36/626936036.db2.gz ZPZXTGARPPDHSE-HNNXBMFYSA-N 0 3 320.230 3.472 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000809750227 626946598 /nfs/dbraw/zinc/94/65/98/626946598.db2.gz RCVMYVPJLLEIHE-IMJJTQAJSA-N 0 3 301.386 3.152 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033322 626971102 /nfs/dbraw/zinc/97/11/02/626971102.db2.gz FTCVPXTZMTZABD-MRXNPFEDSA-N 0 3 321.465 3.450 20 30 DGEDHN COc1ccc([C@@H](C)[C@H](C)NCc2nc(C#N)cs2)cc1 ZINC000810147329 626980967 /nfs/dbraw/zinc/98/09/67/626980967.db2.gz JHTNRXPQRQUMSM-RYUDHWBXSA-N 0 3 301.415 3.305 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810195298 626987144 /nfs/dbraw/zinc/98/71/44/626987144.db2.gz FYPGBHGSDBAYOI-SFHVURJKSA-N 0 3 320.408 3.402 20 30 DGEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1C#N ZINC000810228283 626990252 /nfs/dbraw/zinc/99/02/52/626990252.db2.gz SGIBUPSCWYGIBT-GOSISDBHSA-N 0 3 303.365 3.216 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCCSC1 ZINC000810531240 627012227 /nfs/dbraw/zinc/01/22/27/627012227.db2.gz KUTUMRBTFWZBMY-GHMZBOCLSA-N 0 3 322.817 3.131 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCSC1 ZINC000810531243 627012283 /nfs/dbraw/zinc/01/22/83/627012283.db2.gz KUTUMRBTFWZBMY-WDEREUQCSA-N 0 3 322.817 3.131 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810532312 627012369 /nfs/dbraw/zinc/01/23/69/627012369.db2.gz RVNQEBKTRKOQPT-CQSZACIVSA-N 0 3 302.349 3.036 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cccc(Cl)c1F ZINC000810528682 627012443 /nfs/dbraw/zinc/01/24/43/627012443.db2.gz WQVIJKGXAAGWHK-GFCCVEGCSA-N 0 3 324.783 3.037 20 30 DGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000810567329 627017899 /nfs/dbraw/zinc/01/78/99/627017899.db2.gz ZMXCBWOTDADRSI-INIZCTEOSA-N 0 3 323.799 3.363 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCN3C(C)C)cc21 ZINC000885571673 627026566 /nfs/dbraw/zinc/02/65/66/627026566.db2.gz XLQMESFCZIYNIL-INIZCTEOSA-N 0 3 312.417 3.034 20 30 DGEDHN C#CCC1(OC(=O)C2CCN(Cc3ccccc3)CC2)CCC1 ZINC000810747722 627043592 /nfs/dbraw/zinc/04/35/92/627043592.db2.gz JWHBWEJFXIDUTA-UHFFFAOYSA-N 0 3 311.425 3.388 20 30 DGEDHN C#CC[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000810750662 627044930 /nfs/dbraw/zinc/04/49/30/627044930.db2.gz NFYVGSYKELFRRD-LPHOPBHVSA-N 0 3 316.420 3.080 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1ccccn1 ZINC000136102279 627045094 /nfs/dbraw/zinc/04/50/94/627045094.db2.gz OHUZQEJNYNTSDY-OAHLLOKOSA-N 0 3 318.380 3.167 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000136148275 627046106 /nfs/dbraw/zinc/04/61/06/627046106.db2.gz DRRPPLHIUUJSIC-CQSZACIVSA-N 0 3 310.781 3.235 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCS[C@@H](c3ccccc3)C2)CCC1 ZINC000886014032 627083786 /nfs/dbraw/zinc/08/37/86/627083786.db2.gz BFRAYRCTAWWPHN-IAGOWNOFSA-N 0 3 316.470 3.221 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CC[C@H](c3c(F)cccc3F)C2)CCC1 ZINC000886138548 627110713 /nfs/dbraw/zinc/11/07/13/627110713.db2.gz NBRPLZOVFKIEJM-UONOGXRCSA-N 0 3 320.383 3.199 20 30 DGEDHN COC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000886176822 627117778 /nfs/dbraw/zinc/11/77/78/627117778.db2.gz LXDYMHWEEGIDGS-CVEARBPZSA-N 0 3 322.836 3.062 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)CCC=C(C)C)C1CCN(C)CC1 ZINC000886574624 627166653 /nfs/dbraw/zinc/16/66/53/627166653.db2.gz MSBPWVWAIYXNLF-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)C[C@@H](CC)c1ccccc1)C1CCN(C)CC1 ZINC000886582037 627167306 /nfs/dbraw/zinc/16/73/06/627167306.db2.gz CYMLIONGIOUWIU-QGZVFWFLSA-N 0 3 312.457 3.126 20 30 DGEDHN CC(C)[C@H](NCc1ccc(C#N)c(Cl)c1)c1cnn(C)c1 ZINC000886606673 627171640 /nfs/dbraw/zinc/17/16/40/627171640.db2.gz DDEAPHWWXKMWCL-INIZCTEOSA-N 0 3 302.809 3.432 20 30 DGEDHN C=CCC[C@H](Cc1ccccc1)[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886759724 627199976 /nfs/dbraw/zinc/19/99/76/627199976.db2.gz NQRPPCDDAGIZGL-OAHLLOKOSA-N 0 3 316.474 3.335 20 30 DGEDHN C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000221271130 627217191 /nfs/dbraw/zinc/21/71/91/627217191.db2.gz GAPWCCHUFYQOQA-UONOGXRCSA-N 0 3 309.454 3.304 20 30 DGEDHN CN(CCc1ccc2c(c1)OCO2)Cc1ccc(C#N)s1 ZINC000887093449 627223701 /nfs/dbraw/zinc/22/37/01/627223701.db2.gz LIGZQGVOBXIUIA-UHFFFAOYSA-N 0 3 300.383 3.023 20 30 DGEDHN C=CCCCCCCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000812495574 627392479 /nfs/dbraw/zinc/39/24/79/627392479.db2.gz RQTWVXDLPGBUFR-KRWDZBQOSA-N 0 3 307.482 3.391 20 30 DGEDHN N#CC(C(=O)CCCC1CC1)C(=O)NCc1cccc(Cl)c1 ZINC000813089611 627447713 /nfs/dbraw/zinc/44/77/13/627447713.db2.gz VNFOYFGFTMPQGO-HNNXBMFYSA-N 0 3 318.804 3.245 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](c1ccccc1C)C1CCCC1 ZINC000813867642 627517166 /nfs/dbraw/zinc/51/71/66/627517166.db2.gz SOKGGVOUOHDZKW-SFHVURJKSA-N 0 3 321.486 3.417 20 30 DGEDHN COCc1ccccc1/C=C(\C)C=NNCCN1CCCCC1 ZINC000814218074 627551912 /nfs/dbraw/zinc/55/19/12/627551912.db2.gz KPGLUZNHLOZIKL-XXRMPNRHSA-N 0 3 315.461 3.298 20 30 DGEDHN C#CCNC(=O)CCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000815033166 627618197 /nfs/dbraw/zinc/61/81/97/627618197.db2.gz ASZYMWYSLPZARR-CYBMUJFWSA-N 0 3 304.821 3.005 20 30 DGEDHN C[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000815089849 627625350 /nfs/dbraw/zinc/62/53/50/627625350.db2.gz OCWYDEKHMWNRIU-WBMJQRKESA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000924698771 627669121 /nfs/dbraw/zinc/66/91/21/627669121.db2.gz CADZTJHQGKKEMI-DOTOQJQBSA-N 0 3 313.445 3.268 20 30 DGEDHN Cc1cccc([C@H](NC2CCN(CC#N)CC2)c2ccccn2)c1 ZINC000925002792 627700191 /nfs/dbraw/zinc/70/01/91/627700191.db2.gz KVQILBKVNAZLRN-FQEVSTJZSA-N 0 3 320.440 3.057 20 30 DGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=CC1CCCCC1 ZINC000815915304 627712839 /nfs/dbraw/zinc/71/28/39/627712839.db2.gz KKODFHFUZAFCKS-LFGHMXSPSA-N 0 3 315.348 3.163 20 30 DGEDHN C=C1CCC(CNC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000926168298 627854171 /nfs/dbraw/zinc/85/41/71/627854171.db2.gz XMVBYFPESFWEMA-UHFFFAOYSA-N 0 3 315.417 3.037 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000818048771 627990004 /nfs/dbraw/zinc/99/00/04/627990004.db2.gz MKBPMITUXDXQSC-CYBMUJFWSA-N 0 3 321.471 3.125 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000818231749 628007746 /nfs/dbraw/zinc/00/77/46/628007746.db2.gz XYPRBERFPOOODQ-DOTOQJQBSA-N 0 3 323.396 3.154 20 30 DGEDHN C#CCN(C)CCCNC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000818589059 628039139 /nfs/dbraw/zinc/03/91/39/628039139.db2.gz NLRWDLWMZNREIO-VURMDHGXSA-N 0 3 312.457 3.285 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000818603355 628040868 /nfs/dbraw/zinc/04/08/68/628040868.db2.gz ZGWUMGAGJHZQOS-WOJBJXKFSA-N 0 3 320.436 3.015 20 30 DGEDHN N#CCC[C@H](C#N)CNCCc1ccc(N2CCCCC2)cc1 ZINC000818955705 628066531 /nfs/dbraw/zinc/06/65/31/628066531.db2.gz BIJRAMUWOCYCEJ-GOSISDBHSA-N 0 3 310.445 3.253 20 30 DGEDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1[O-] ZINC000822498202 628458327 /nfs/dbraw/zinc/45/83/27/628458327.db2.gz WCNJOYSKQZQLDC-GXFFZTMASA-N 0 3 309.207 3.245 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823894325 628607958 /nfs/dbraw/zinc/60/79/58/628607958.db2.gz NHKWYENGEZEOQJ-LBPRGKRZSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823894325 628607961 /nfs/dbraw/zinc/60/79/61/628607961.db2.gz NHKWYENGEZEOQJ-LBPRGKRZSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823894624 628608144 /nfs/dbraw/zinc/60/81/44/628608144.db2.gz VEHMGFZRILKCQG-NEPJUHHUSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823894624 628608145 /nfs/dbraw/zinc/60/81/45/628608145.db2.gz VEHMGFZRILKCQG-NEPJUHHUSA-N 0 3 303.385 3.401 20 30 DGEDHN COCC1(C2CCC2)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000827011701 628912610 /nfs/dbraw/zinc/91/26/10/628912610.db2.gz MGLMWPXKTOSLEQ-HNNXBMFYSA-N 0 3 314.429 3.226 20 30 DGEDHN C#C[C@H](NCc1ccccc1OCC(C)C)C1CCOCC1 ZINC000827554210 628970035 /nfs/dbraw/zinc/97/00/35/628970035.db2.gz APZVTFLWIXIQRR-SFHVURJKSA-N 0 3 301.430 3.239 20 30 DGEDHN C#C[C@H](NCc1ccc(Br)s1)C1CCOCC1 ZINC000827569732 628971742 /nfs/dbraw/zinc/97/17/42/628971742.db2.gz DZPCROIRTOEUJY-LBPRGKRZSA-N 0 3 314.248 3.029 20 30 DGEDHN C#C[C@H](NCc1cc(C)c(C)cc1OC(F)F)C1CCOCC1 ZINC000827564596 628971322 /nfs/dbraw/zinc/97/13/22/628971322.db2.gz DREQDXHDUTVFKG-INIZCTEOSA-N 0 3 323.383 3.423 20 30 DGEDHN C#C[C@@H](NCc1c(OC)ccc2ccccc21)C1CCOCC1 ZINC000827571191 628971950 /nfs/dbraw/zinc/97/19/50/628971950.db2.gz WBIBVJIVZMWUSP-LJQANCHMSA-N 0 3 309.409 3.366 20 30 DGEDHN N#Cc1ccc(N2CCN(CC/C=C\c3ccccc3)CC2)cn1 ZINC000829327185 629150253 /nfs/dbraw/zinc/15/02/53/629150253.db2.gz GNDWPDTYWOXYOC-YWEYNIOJSA-N 0 3 318.424 3.179 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000829810845 629196864 /nfs/dbraw/zinc/19/68/64/629196864.db2.gz UVRLQRYTBCISQF-CQSZACIVSA-N 0 3 302.374 3.229 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN(C)C(C)(C)C)cc1C ZINC000830545322 629282553 /nfs/dbraw/zinc/28/25/53/629282553.db2.gz DZMJFGHZXHQISK-UHFFFAOYSA-N 0 3 301.434 3.280 20 30 DGEDHN C[C@H](CC#N)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000830969424 629325236 /nfs/dbraw/zinc/32/52/36/629325236.db2.gz DVBRQFHOEWQGFI-SJLPKXTDSA-N 0 3 313.445 3.049 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000831678821 629403915 /nfs/dbraw/zinc/40/39/15/629403915.db2.gz IALWENUBXNXUDR-XWIAVFTESA-N 0 3 310.397 3.100 20 30 DGEDHN Cc1cc(O)c(CN2CCN(c3ccccc3C#N)CC2)cc1C ZINC000101537636 629731933 /nfs/dbraw/zinc/73/19/33/629731933.db2.gz MFBSKRDOVVWGBO-UHFFFAOYSA-N 0 3 321.424 3.203 20 30 DGEDHN C#Cc1cccc(CN[C@@H](C)c2sc(CCOC)nc2C)c1 ZINC000834903323 629803734 /nfs/dbraw/zinc/80/37/34/629803734.db2.gz OGGFJZHXPXJOOD-ZDUSSCGKSA-N 0 3 314.454 3.473 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(C)ccc1F ZINC000835058013 629839406 /nfs/dbraw/zinc/83/94/06/629839406.db2.gz WBKHYPFWOBUIPR-OAHLLOKOSA-N 0 3 318.392 3.082 20 30 DGEDHN CCOc1cc(C#N)ccc1OC(=O)c1cccc(CN(C)C)c1 ZINC000835059735 629840624 /nfs/dbraw/zinc/84/06/24/629840624.db2.gz XABFYLDGEFUVIS-UHFFFAOYSA-N 0 3 324.380 3.238 20 30 DGEDHN CCC[C@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835454380 629935606 /nfs/dbraw/zinc/93/56/06/629935606.db2.gz GVAWLIJLYBZNBQ-JQWIXIFHSA-N 0 3 300.280 3.092 20 30 DGEDHN CCC[C@@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835454361 629935959 /nfs/dbraw/zinc/93/59/59/629935959.db2.gz GVAWLIJLYBZNBQ-CMPLNLGQSA-N 0 3 300.280 3.092 20 30 DGEDHN Cc1ccc(C)c(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000102816661 630262836 /nfs/dbraw/zinc/26/28/36/630262836.db2.gz WSODASHITCVBBS-KRWDZBQOSA-N 0 3 312.413 3.004 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccn(CC)n2)c([O-])c1 ZINC000840710649 630350872 /nfs/dbraw/zinc/35/08/72/630350872.db2.gz LGCFNSKUWRGGOH-LDADJPATSA-N 0 3 300.406 3.074 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)C(=O)NC(C)C)cc1 ZINC000840890548 630373129 /nfs/dbraw/zinc/37/31/29/630373129.db2.gz NZVHKJQMRPBMOT-ZIAGYGMSSA-N 0 3 324.852 3.382 20 30 DGEDHN CN(CCOc1cccc(OCC#N)c1)Cc1ccc(F)cc1 ZINC000842111050 630494608 /nfs/dbraw/zinc/49/46/08/630494608.db2.gz WZCXRJNHBSTCBF-UHFFFAOYSA-N 0 3 314.360 3.239 20 30 DGEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842285608 630511459 /nfs/dbraw/zinc/51/14/59/630511459.db2.gz RHKCEWIIHXLQGU-DZGCQCFKSA-N 0 3 303.406 3.255 20 30 DGEDHN C#CC1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000843427316 630657377 /nfs/dbraw/zinc/65/73/77/630657377.db2.gz ZVODSKUNURKBKE-UHFFFAOYSA-N 0 3 318.848 3.022 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000105486278 630718013 /nfs/dbraw/zinc/71/80/13/630718013.db2.gz JWKFHTYHYUAGLF-ACJLOTCBSA-N 0 3 308.381 3.460 20 30 DGEDHN Cc1cccc(C)c1OCCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368029 630721926 /nfs/dbraw/zinc/72/19/26/630721926.db2.gz QOHDPLWQKNENCQ-IBGZPJMESA-N 0 3 324.424 3.219 20 30 DGEDHN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)CC1 ZINC000845526849 631180734 /nfs/dbraw/zinc/18/07/34/631180734.db2.gz ASPADKPGZKHLSE-XIRDDKMYSA-N 0 3 312.413 3.180 20 30 DGEDHN CC(C)(C)N1CC[C@H]1COC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000845735540 631192775 /nfs/dbraw/zinc/19/27/75/631192775.db2.gz JYRRDEHBQBQALI-SJORKVTESA-N 0 3 314.429 3.490 20 30 DGEDHN CC#CCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875487 631200347 /nfs/dbraw/zinc/20/03/47/631200347.db2.gz LAPYRGHKFXTFIZ-MLGOLLRUSA-N 0 3 307.321 3.269 20 30 DGEDHN COc1ccccc1/C=C/CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006305 631205439 /nfs/dbraw/zinc/20/54/39/631205439.db2.gz KGHBBWUVXAVLHW-IUYMFKLXSA-N 0 3 322.408 3.245 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)nc1 ZINC000846820804 631318019 /nfs/dbraw/zinc/31/80/19/631318019.db2.gz NGYFPXLASGJOIB-RBUKOAKNSA-N 0 3 307.397 3.041 20 30 DGEDHN C#CC[C@@H](NC[C@H]1CN(c2ccccc2)CCO1)c1ccccc1 ZINC000846845188 631326003 /nfs/dbraw/zinc/32/60/03/631326003.db2.gz UYJGFYKRNQXUTE-LEWJYISDSA-N 0 3 320.436 3.246 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848351534 631648448 /nfs/dbraw/zinc/64/84/48/631648448.db2.gz FINYBBONVMILGD-IKGGRYGDSA-N 0 3 323.481 3.091 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000848396628 631653600 /nfs/dbraw/zinc/65/36/00/631653600.db2.gz OEYLQVWPTHQVSN-LBPRGKRZSA-N 0 3 313.373 3.351 20 30 DGEDHN Fc1cc2nc(N=NC3CCCN4CCCC[C@H]34)[nH]c2cc1F ZINC000848404631 631654867 /nfs/dbraw/zinc/65/48/67/631654867.db2.gz NCQXXMGCZRBYSL-OAHLLOKOSA-N 0 3 319.359 3.257 20 30 DGEDHN COc1ccc(N=NC2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000848406291 631655855 /nfs/dbraw/zinc/65/58/55/631655855.db2.gz DMZQRJFSUYVZTE-OAHLLOKOSA-N 0 3 318.377 3.020 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1F ZINC000109038604 632023773 /nfs/dbraw/zinc/02/37/73/632023773.db2.gz XHNSJFNQTPXRAL-WFASDCNBSA-N 0 3 316.376 3.087 20 30 DGEDHN C#CCCOc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850370303 632129305 /nfs/dbraw/zinc/12/93/05/632129305.db2.gz CXYPBRVPEIJSDN-PMACEKPBSA-N 0 3 307.393 3.357 20 30 DGEDHN C=CCOc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850377221 632131015 /nfs/dbraw/zinc/13/10/15/632131015.db2.gz BWCIVYIRQSFKNA-CVEARBPZSA-N 0 3 309.356 3.155 20 30 DGEDHN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(C#N)c(F)c1 ZINC000850533526 632184394 /nfs/dbraw/zinc/18/43/94/632184394.db2.gz AVOGYGHZXRBRDL-VQISRLSMSA-N 0 3 310.319 3.162 20 30 DGEDHN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(OCC#N)cc1 ZINC000850535213 632185293 /nfs/dbraw/zinc/18/52/93/632185293.db2.gz VWPAPHDGJXPBPY-MAZHCROVSA-N 0 3 322.355 3.054 20 30 DGEDHN C[C@@H](NCC1(C#N)CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850549073 632189021 /nfs/dbraw/zinc/18/90/21/632189021.db2.gz DBVJWNBQCCVKJS-CQSZACIVSA-N 0 3 321.465 3.305 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CC3(F)F)C2)c1 ZINC000850757699 632216935 /nfs/dbraw/zinc/21/69/35/632216935.db2.gz PACJYPQGYQZPTA-RYCVTPFZSA-N 0 3 318.323 3.078 20 30 DGEDHN N#CC(C(=O)CCCF)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850761382 632217956 /nfs/dbraw/zinc/21/79/56/632217956.db2.gz LLHVAGIDJTWOLV-NSHDSACASA-N 0 3 317.147 3.390 20 30 DGEDHN Cc1ccn([C@@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000850783375 632223756 /nfs/dbraw/zinc/22/37/56/632223756.db2.gz ZPYGVYIFZFSCRP-STQMWFEESA-N 0 3 308.341 3.160 20 30 DGEDHN N#CC1(COC(=O)CCCF)CCN(Cc2ccccc2)CC1 ZINC000851109670 632313298 /nfs/dbraw/zinc/31/32/98/632313298.db2.gz PQBXIKMWPDKTTI-UHFFFAOYSA-N 0 3 318.392 3.085 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000852096622 632553482 /nfs/dbraw/zinc/55/34/82/632553482.db2.gz CYIZKCZTBPYFOY-FQEVSTJZSA-N 0 3 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ZINC001033232733 660594866 /nfs/dbraw/zinc/59/48/66/660594866.db2.gz VTJBNDHVUYJKSK-GOSISDBHSA-N 0 3 300.446 3.071 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001033254224 660600200 /nfs/dbraw/zinc/60/02/00/660600200.db2.gz LICUJSCTGQLIPP-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)C)CCN1Cc1ccc(C#N)cc1 ZINC000947962792 660609838 /nfs/dbraw/zinc/60/98/38/660609838.db2.gz OJBOWSBFVHTJEU-RHSMWYFYSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2-n2cccc2)C1 ZINC001033390703 660618648 /nfs/dbraw/zinc/61/86/48/660618648.db2.gz MKEYGRBANJYKQG-KRWDZBQOSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3occc3s2)C1 ZINC001033409007 660619025 /nfs/dbraw/zinc/61/90/25/660619025.db2.gz GIAJXOPJTKEUPH-GFCCVEGCSA-N 0 3 304.415 3.217 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C(CC)CC)no2)C1 ZINC001033487632 660626913 /nfs/dbraw/zinc/62/69/13/660626913.db2.gz IQVJKVQYVVDLQQ-OAHLLOKOSA-N 0 3 319.449 3.301 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(OCC)c(C)c2)C1 ZINC001033470902 660625817 /nfs/dbraw/zinc/62/58/17/660625817.db2.gz CLAUNGYVMVTSJQ-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001033483230 660626274 /nfs/dbraw/zinc/62/62/74/660626274.db2.gz GEKJPMRUKZLEFR-WUJZJPHMSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2C)C1 ZINC001033510119 660629821 /nfs/dbraw/zinc/62/98/21/660629821.db2.gz VUZXBNKOPZEGBM-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN CCN(C[C@@H](C)C#N)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929429956 661306795 /nfs/dbraw/zinc/30/67/95/661306795.db2.gz UJMZYWJHHGJZGG-ZNMIVQPWSA-N 0 3 309.454 3.161 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3cccc(F)c3o2)C1 ZINC001033675199 660648074 /nfs/dbraw/zinc/64/80/74/660648074.db2.gz MTIJTRYSHHRAEW-AWEZNQCLSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033637707 660643434 /nfs/dbraw/zinc/64/34/34/660643434.db2.gz PKSMRBXOFLQDPL-IBGZPJMESA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3c(s2)CCCC3)C1 ZINC001033641013 660644822 /nfs/dbraw/zinc/64/48/22/660644822.db2.gz ZHROZGZOLJPJAC-HNNXBMFYSA-N 0 3 318.486 3.349 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001033645710 660645766 /nfs/dbraw/zinc/64/57/66/660645766.db2.gz GHJNIJZEYZAHFI-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(CC)c(C)s2)C1 ZINC001033648104 660646249 /nfs/dbraw/zinc/64/62/49/660646249.db2.gz LZJQCMWFUGBLND-HNNXBMFYSA-N 0 3 306.475 3.341 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001033695728 660651056 /nfs/dbraw/zinc/65/10/56/660651056.db2.gz FGSDWZRXXVYWCG-KMFTYDHNSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cnc(CC(C)C)s2)C1 ZINC001033699382 660651792 /nfs/dbraw/zinc/65/17/92/660651792.db2.gz FGSGQLNLCIUIGR-AWEZNQCLSA-N 0 3 321.490 3.064 20 30 DGEDHN COc1ccccc1OCCN(C)Cc1ccc(C#N)c(C)c1 ZINC000362963781 660675209 /nfs/dbraw/zinc/67/52/09/660675209.db2.gz PNSRUPHIVYIYCH-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc3ncccc32)C1 ZINC001033915661 660677322 /nfs/dbraw/zinc/67/73/22/660677322.db2.gz MODCBNZBJMWVJS-INIZCTEOSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033917299 660680102 /nfs/dbraw/zinc/68/01/02/660680102.db2.gz RSFRVUAGTCIUBQ-QGZVFWFLSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3cccnc3c2)C1 ZINC001033988023 660690590 /nfs/dbraw/zinc/69/05/90/660690590.db2.gz FNJPOQJJNYQDTG-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)ccc2C)C1 ZINC001033992530 660690984 /nfs/dbraw/zinc/69/09/84/660690984.db2.gz SMXSRCXXPPGBAR-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033992885 660691649 /nfs/dbraw/zinc/69/16/49/660691649.db2.gz ZWJMKOHAGWSLNI-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001034204894 660722481 /nfs/dbraw/zinc/72/24/81/660722481.db2.gz UCQCJURLNPZYKH-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034215959 660724700 /nfs/dbraw/zinc/72/47/00/660724700.db2.gz ZCNWTZVKANMSRZ-VSZNYVQBSA-N 0 3 302.462 3.136 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001034247708 660727413 /nfs/dbraw/zinc/72/74/13/660727413.db2.gz QXWQSMXJFVHVDI-INIZCTEOSA-N 0 3 324.424 3.349 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001034253728 660729502 /nfs/dbraw/zinc/72/95/02/660729502.db2.gz MEWHSVBDGDIYCC-ZDUSSCGKSA-N 0 3 324.371 3.133 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001034287880 660732813 /nfs/dbraw/zinc/73/28/13/660732813.db2.gz CHOGLVQWYNDDIA-MRXNPFEDSA-N 0 3 315.461 3.365 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001034299063 660733882 /nfs/dbraw/zinc/73/38/82/660733882.db2.gz ACTBPBJBIJGXCD-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034317712 660736337 /nfs/dbraw/zinc/73/63/37/660736337.db2.gz ARERBNZBVZDZKJ-XMTFNYHQSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2nc(C(C)(C)C)cs2)CC1 ZINC001005539060 660739046 /nfs/dbraw/zinc/73/90/46/660739046.db2.gz SJKJLWMMICKQAA-UHFFFAOYSA-N 0 3 321.490 3.163 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001034429595 660748390 /nfs/dbraw/zinc/74/83/90/660748390.db2.gz WWPPPSKFCXPLGU-JKSUJKDBSA-N 0 3 304.434 3.238 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001034427123 660749170 /nfs/dbraw/zinc/74/91/70/660749170.db2.gz ZZPODUZBRXMWSC-DLBZAZTESA-N 0 3 304.409 3.244 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001034427124 660749260 /nfs/dbraw/zinc/74/92/60/660749260.db2.gz ZZPODUZBRXMWSC-IAGOWNOFSA-N 0 3 304.409 3.244 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001034410348 660749799 /nfs/dbraw/zinc/74/97/99/660749799.db2.gz BDXICNHJIAVJGT-INIZCTEOSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001034416369 660751087 /nfs/dbraw/zinc/75/10/87/660751087.db2.gz NVHQLWYOKNLPHR-SJLPKXTDSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001034415930 660751167 /nfs/dbraw/zinc/75/11/67/660751167.db2.gz KJZGNAAYTNGIFG-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001034421400 660751416 /nfs/dbraw/zinc/75/14/16/660751416.db2.gz UMDVGQIKPYGQIW-GOSISDBHSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC001034368988 660742003 /nfs/dbraw/zinc/74/20/03/660742003.db2.gz ODSDCTAVGZQKOK-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCCN1CCCC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001034431916 660753514 /nfs/dbraw/zinc/75/35/14/660753514.db2.gz AHGJMXPLTLAEGD-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001034449792 660755517 /nfs/dbraw/zinc/75/55/17/660755517.db2.gz BKGVZLZSVPJAAU-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001034474453 660756435 /nfs/dbraw/zinc/75/64/35/660756435.db2.gz OYPOBAYLLSWBSO-SFHVURJKSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001034489819 660759084 /nfs/dbraw/zinc/75/90/84/660759084.db2.gz DUTKVHUJIHCRMY-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001034495365 660759329 /nfs/dbraw/zinc/75/93/29/660759329.db2.gz UYOGHVHBEIAJGQ-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001034494277 660759400 /nfs/dbraw/zinc/75/94/00/660759400.db2.gz XWZUKNLVCVLIHO-LSDHHAIUSA-N 0 3 306.475 3.317 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001034510723 660764775 /nfs/dbraw/zinc/76/47/75/660764775.db2.gz KGHOFPPYBKKIRL-ZDUSSCGKSA-N 0 3 324.877 3.318 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034512922 660764930 /nfs/dbraw/zinc/76/49/30/660764930.db2.gz UBCYINHGDVRLTF-CQSZACIVSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001034513025 660765128 /nfs/dbraw/zinc/76/51/28/660765128.db2.gz UEWJNJREWBBRPH-KRWDZBQOSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001034531319 660767356 /nfs/dbraw/zinc/76/73/56/660767356.db2.gz FQUYZVPNVJVNDD-INIZCTEOSA-N 0 3 304.409 3.213 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034540279 660769758 /nfs/dbraw/zinc/76/97/58/660769758.db2.gz FXSYNFHSXLEPIC-HIEASXQVSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001034543994 660771674 /nfs/dbraw/zinc/77/16/74/660771674.db2.gz LAUQYOQRZJPENM-INIZCTEOSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC001005676284 660788476 /nfs/dbraw/zinc/78/84/76/660788476.db2.gz OCDHNLXEAYFHMN-UHFFFAOYSA-N 0 3 323.440 3.200 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC000947963701 660788141 /nfs/dbraw/zinc/78/81/41/660788141.db2.gz XNJNOJDBSIUEOY-YJBOKZPZSA-N 0 3 312.457 3.200 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccnc2C(F)F)CC1 ZINC001005687886 660789068 /nfs/dbraw/zinc/78/90/68/660789068.db2.gz AHOJWUGYCKIKJC-UHFFFAOYSA-N 0 3 323.387 3.132 20 30 DGEDHN CCC(CC)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034869685 660802202 /nfs/dbraw/zinc/80/22/02/660802202.db2.gz YZZGZZKFFLONOH-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1=CCCCC1)CC2 ZINC001035670746 660844877 /nfs/dbraw/zinc/84/48/77/660844877.db2.gz OJDYAGSTXBHWFK-UHFFFAOYSA-N 0 3 302.462 3.377 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C(=C)Cl)CC2 ZINC001035711924 660846553 /nfs/dbraw/zinc/84/65/53/660846553.db2.gz BZKLVMDDJCFGAT-UHFFFAOYSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(CC)s1)CC2 ZINC001035744671 660847354 /nfs/dbraw/zinc/84/73/54/660847354.db2.gz PNNCWOGRBSLKQE-UHFFFAOYSA-N 0 3 318.486 3.425 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)CC2 ZINC001035762203 660849545 /nfs/dbraw/zinc/84/95/45/660849545.db2.gz YQOKPDQLEVUSBW-OKZBNKHCSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc[nH]c1C1CC1)CC2 ZINC001035778865 660853601 /nfs/dbraw/zinc/85/36/01/660853601.db2.gz RQJZKDCZXHFADX-UHFFFAOYSA-N 0 3 313.445 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)cc1F)CC2 ZINC001035803577 660854222 /nfs/dbraw/zinc/85/42/22/660854222.db2.gz HTTWDTWRVHPEHE-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc(C(C)C)c1)CC2 ZINC001035828264 660856589 /nfs/dbraw/zinc/85/65/89/660856589.db2.gz LNCXNAPPNHPYGL-UHFFFAOYSA-N 0 3 324.468 3.371 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)C1CCCC1)CC2 ZINC001035836704 660857537 /nfs/dbraw/zinc/85/75/37/660857537.db2.gz BWDNCPZLCQLRBX-MRXNPFEDSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC001035840406 660857639 /nfs/dbraw/zinc/85/76/39/660857639.db2.gz IWOVXKCKQFTAPK-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccc(C)s1)CC2 ZINC001035856146 660859909 /nfs/dbraw/zinc/85/99/09/660859909.db2.gz KDABHMBYGFFUGW-UHFFFAOYSA-N 0 3 318.486 3.100 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707918553 660915651 /nfs/dbraw/zinc/91/56/51/660915651.db2.gz GDJKLINJUDDMLC-XQLPTFJDSA-N 0 3 307.438 3.056 20 30 DGEDHN CC(C)CC(=O)N1CC[C@@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036627102 660937246 /nfs/dbraw/zinc/93/72/46/660937246.db2.gz HQDHTRONBCEPIJ-WOJBJXKFSA-N 0 3 324.468 3.007 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cncc3sccc32)CC1 ZINC001005869022 660944744 /nfs/dbraw/zinc/94/47/44/660944744.db2.gz GNGPYKYQJXDSJG-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(F)c2F)CC1 ZINC001005893857 660947535 /nfs/dbraw/zinc/94/75/35/660947535.db2.gz RPTQSISQYFEWER-UHFFFAOYSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2scnc2C(C)(C)C)CC1 ZINC001006098344 660962815 /nfs/dbraw/zinc/96/28/15/660962815.db2.gz RCYNSXHWTGDKKO-UHFFFAOYSA-N 0 3 321.490 3.163 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2scnc2C2CC2)CC1 ZINC001006098398 660963188 /nfs/dbraw/zinc/96/31/88/660963188.db2.gz SEPXXUDWSRFBOD-UHFFFAOYSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C(C)C)cn2)CC1 ZINC001005991467 660955272 /nfs/dbraw/zinc/95/52/72/660955272.db2.gz MOJICOYFGZLXGO-UHFFFAOYSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)cc(F)c2)CC1 ZINC001006040023 660958073 /nfs/dbraw/zinc/95/80/73/660958073.db2.gz XJFMLVDIZVHXCG-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC001006044910 660958484 /nfs/dbraw/zinc/95/84/84/660958484.db2.gz ABKVGUFWDFITNE-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2oc(CCC)nc2C)CC1 ZINC001006296360 660973351 /nfs/dbraw/zinc/97/33/51/660973351.db2.gz YGVDOVCQQQXXLW-UHFFFAOYSA-N 0 3 319.449 3.048 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(CC)c(CC)o2)CC1 ZINC001006297832 660973430 /nfs/dbraw/zinc/97/34/30/660973430.db2.gz IPANRBMMWHIZKG-UHFFFAOYSA-N 0 3 304.434 3.127 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000805999349 660979851 /nfs/dbraw/zinc/97/98/51/660979851.db2.gz ZYAMCLMOGSEMRQ-LJQANCHMSA-N 0 3 311.425 3.039 20 30 DGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNCC1(C)CCCC1 ZINC000793084309 661003942 /nfs/dbraw/zinc/00/39/42/661003942.db2.gz KRIHMFNHLKDYPU-UHFFFAOYSA-N 0 3 311.433 3.267 20 30 DGEDHN CC1(CNN=Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000793080669 661004062 /nfs/dbraw/zinc/00/40/62/661004062.db2.gz CLFFMFKQFWCXDM-UHFFFAOYSA-N 0 3 301.434 3.027 20 30 DGEDHN COCC1(C(=O)C(C#N)c2nc3ccccc3s2)CCC1 ZINC000793118717 661005834 /nfs/dbraw/zinc/00/58/34/661005834.db2.gz DPVYKFIIJONWMD-NSHDSACASA-N 0 3 300.383 3.289 20 30 DGEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000794057073 661066618 /nfs/dbraw/zinc/06/66/18/661066618.db2.gz DBJMKMARIPWPCJ-ZENOOKHLSA-N 0 3 304.821 3.003 20 30 DGEDHN N#CC(C(=O)CCC(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000049458964 655523926 /nfs/dbraw/zinc/52/39/26/655523926.db2.gz KZKOEHMZEPXPSU-CYBMUJFWSA-N 0 3 314.291 3.199 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969125043 655526129 /nfs/dbraw/zinc/52/61/29/655526129.db2.gz YSGSFEOTTJXTFI-BZSNNMDCSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC000969136959 655527810 /nfs/dbraw/zinc/52/78/10/655527810.db2.gz RYFMUFOIHJHKHV-SFHVURJKSA-N 0 3 312.457 3.301 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001020529598 655546294 /nfs/dbraw/zinc/54/62/94/655546294.db2.gz SUKFNRLWBRJKPV-XYPYZODXSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](N[C@H](C)c3ccccc3F)C2)C1 ZINC001020563603 655553853 /nfs/dbraw/zinc/55/38/53/655553853.db2.gz OPJSCDMQAVFEFS-RBSFLKMASA-N 0 3 316.420 3.480 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(CC(C)C)s2)C1 ZINC000969853522 655560819 /nfs/dbraw/zinc/56/08/19/655560819.db2.gz VSNDYOHQRJKKFB-CQSZACIVSA-N 0 3 318.486 3.020 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000969957953 655565420 /nfs/dbraw/zinc/56/54/20/655565420.db2.gz HNYXVOALYBMUOO-QXAKKESOSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001020752193 655574199 /nfs/dbraw/zinc/57/41/99/655574199.db2.gz BLDNPQLWRSGIAV-JOCQHMNTSA-N 0 3 314.763 3.227 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000970104988 655575914 /nfs/dbraw/zinc/57/59/14/655575914.db2.gz NHMACMWTBNPFPL-ZDUSSCGKSA-N 0 3 311.429 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001020924088 655581788 /nfs/dbraw/zinc/58/17/88/655581788.db2.gz PHIIPCPCZBCREX-AVGNSLFASA-N 0 3 312.866 3.149 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC000970161223 655582646 /nfs/dbraw/zinc/58/26/46/655582646.db2.gz CGKXULAANXDKLF-INIZCTEOSA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001039120546 655582711 /nfs/dbraw/zinc/58/27/11/655582711.db2.gz BCFUGPZYZGVOBF-RWFSNQMCSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001020958465 655583180 /nfs/dbraw/zinc/58/31/80/655583180.db2.gz ZMXVBUTWKMKSGH-JOCQHMNTSA-N 0 3 314.763 3.227 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001039146735 655586727 /nfs/dbraw/zinc/58/67/27/655586727.db2.gz PNPVARVQKFAQBH-GJZGRUSLSA-N 0 3 316.848 3.048 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001039146736 655586731 /nfs/dbraw/zinc/58/67/31/655586731.db2.gz PNPVARVQKFAQBH-HUUCEWRRSA-N 0 3 316.848 3.048 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001021106389 655590079 /nfs/dbraw/zinc/59/00/79/655590079.db2.gz INXIUEBLFWYPMN-JOCQHMNTSA-N 0 3 318.804 3.344 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(F)c3ccccc23)C1 ZINC000970465831 655601258 /nfs/dbraw/zinc/60/12/58/655601258.db2.gz XDKQMKIACFVMOQ-AWEZNQCLSA-N 0 3 324.399 3.052 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC000970479889 655602130 /nfs/dbraw/zinc/60/21/30/655602130.db2.gz KATZGDIKORMNIX-XIRDDKMYSA-N 0 3 304.478 3.215 20 30 DGEDHN N#CCCCN1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932810769 655611640 /nfs/dbraw/zinc/61/16/40/655611640.db2.gz FRFJDJWXXCTYHJ-HNNXBMFYSA-N 0 3 323.234 3.036 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC000970730104 655614907 /nfs/dbraw/zinc/61/49/07/655614907.db2.gz ZSGXQISCKWNTNF-OAHLLOKOSA-N 0 3 323.440 3.308 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC(C)(C)C2)C1 ZINC001039221160 655624473 /nfs/dbraw/zinc/62/44/73/655624473.db2.gz LJCVLHDOZIKHBK-SJLPKXTDSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2csc3c2CCCC3)C1 ZINC000970848680 655629463 /nfs/dbraw/zinc/62/94/63/655629463.db2.gz KZHIECFHWKCKJQ-ZDUSSCGKSA-N 0 3 318.486 3.253 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC000970861528 655630825 /nfs/dbraw/zinc/63/08/25/655630825.db2.gz RQXJJGCNNDIGOM-OAHLLOKOSA-N 0 3 317.477 3.312 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C2CCC(=C)CC2)C1 ZINC001039232167 655635114 /nfs/dbraw/zinc/63/51/14/655635114.db2.gz VDHZHAGERFNENO-OALUTQOASA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCC(=C)CC2)C1 ZINC001039232169 655635163 /nfs/dbraw/zinc/63/51/63/655635163.db2.gz VDHZHAGERFNENO-RTBURBONSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C)cs2)C1 ZINC001021577629 655635793 /nfs/dbraw/zinc/63/57/93/655635793.db2.gz HYZWCFJFEYXPGL-HOTGVXAUSA-N 0 3 316.470 3.006 20 30 DGEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)N2CCCC2)c(C)s1 ZINC000175939668 655637551 /nfs/dbraw/zinc/63/75/51/655637551.db2.gz QJGZYWGZYYDNMH-HNNXBMFYSA-N 0 3 318.442 3.019 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001021718822 655663131 /nfs/dbraw/zinc/66/31/31/655663131.db2.gz KKIAUCOLSLPVHM-CADBVGFASA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCC2CCCCC2)C1 ZINC001021726223 655664346 /nfs/dbraw/zinc/66/43/46/655664346.db2.gz ZVBHYBRAKQKZPH-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CCCCC2)C1 ZINC001021726225 655664544 /nfs/dbraw/zinc/66/45/44/655664544.db2.gz ZVBHYBRAKQKZPH-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN N#Cc1ccccc1/C=C\C(=O)N1CCN(C2CCCCC2)CC1 ZINC000255279321 655680680 /nfs/dbraw/zinc/68/06/80/655680680.db2.gz QNKCIDRQHKTDKR-KHPPLWFESA-N 0 3 323.440 3.048 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC001041849759 655685111 /nfs/dbraw/zinc/68/51/11/655685111.db2.gz AGTDBKHLNIKMIO-WOJBJXKFSA-N 0 3 314.473 3.071 20 30 DGEDHN CC1(CN[C@H]2CCCCc3cc(C#N)ccc32)OCCCO1 ZINC000795816140 661174019 /nfs/dbraw/zinc/17/40/19/661174019.db2.gz GXGSXUZRDDMZOB-KRWDZBQOSA-N 0 3 300.402 3.068 20 30 DGEDHN CC(C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1)=C1CCC1 ZINC000971507005 655702106 /nfs/dbraw/zinc/70/21/06/655702106.db2.gz DQYLDMCNGVSUKB-LJQANCHMSA-N 0 3 323.440 3.091 20 30 DGEDHN CCc1noc(CC)c1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000178108412 655710249 /nfs/dbraw/zinc/71/02/49/655710249.db2.gz LUDIWJPBUDFHDZ-LBPRGKRZSA-N 0 3 323.352 3.360 20 30 DGEDHN C#CCN(CCOC1CCOCC1)[C@H]1CCCc2ccccc21 ZINC000933421876 655712841 /nfs/dbraw/zinc/71/28/41/655712841.db2.gz YYEAYIGBURLHHU-FQEVSTJZSA-N 0 3 313.441 3.195 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000971720847 655722624 /nfs/dbraw/zinc/72/26/24/655722624.db2.gz VOFGJCLJNCWXRD-MGPQQGTHSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC000971751933 655724482 /nfs/dbraw/zinc/72/44/82/655724482.db2.gz COQVCKYAFWEVOU-HNNXBMFYSA-N 0 3 300.446 3.316 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051322692 655727990 /nfs/dbraw/zinc/72/79/90/655727990.db2.gz COXWYEMHTLBSKF-KRWDZBQOSA-N 0 3 302.324 3.002 20 30 DGEDHN CO[C@@H](Cc1ccccc1)CN(C)Cc1cc(C#N)cs1 ZINC000933772277 655732465 /nfs/dbraw/zinc/73/24/65/655732465.db2.gz OCXDGPTZBAJSKB-INIZCTEOSA-N 0 3 300.427 3.309 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2coc3cc(F)ccc23)C[C@H]1C ZINC000947473587 655736569 /nfs/dbraw/zinc/73/65/69/655736569.db2.gz NNVIGGQXUOWXKR-OCCSQVGLSA-N 0 3 316.376 3.341 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001022431579 655738067 /nfs/dbraw/zinc/73/80/67/655738067.db2.gz UPNJANRHTSIUHC-BBWFWOEESA-N 0 3 318.848 3.170 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1sc(C)cc1C ZINC001039462887 655740481 /nfs/dbraw/zinc/74/04/81/655740481.db2.gz LKJPHHJCUJBKLU-CVEARBPZSA-N 0 3 318.486 3.159 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000971883182 655741767 /nfs/dbraw/zinc/74/17/67/655741767.db2.gz YREKAAYSOAXNQN-CQSZACIVSA-N 0 3 300.427 3.234 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@@H]2C2CC2)C1 ZINC001022487717 655744353 /nfs/dbraw/zinc/74/43/53/655744353.db2.gz VYEWCGBOLNZJNK-QXSJWSMHSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CF)cc1 ZINC001039476091 655745803 /nfs/dbraw/zinc/74/58/03/655745803.db2.gz YWYOSVLHGPMASD-MSOLQXFVSA-N 0 3 316.420 3.411 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000972075498 655762574 /nfs/dbraw/zinc/76/25/74/655762574.db2.gz MPGYPWWENQFJQV-AWEZNQCLSA-N 0 3 306.837 3.289 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000972075499 655762581 /nfs/dbraw/zinc/76/25/81/655762581.db2.gz MPGYPWWENQFJQV-CQSZACIVSA-N 0 3 306.837 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001022854548 655793511 /nfs/dbraw/zinc/79/35/11/655793511.db2.gz BZEAOPHEAHHNGU-BETUJISGSA-N 0 3 324.827 3.093 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000972479857 655804842 /nfs/dbraw/zinc/80/48/42/655804842.db2.gz VSQIRHUFVVFVMK-SJORKVTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000972479855 655804878 /nfs/dbraw/zinc/80/48/78/655804878.db2.gz VSQIRHUFVVFVMK-IRXDYDNUSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC000972500985 655810221 /nfs/dbraw/zinc/81/02/21/655810221.db2.gz NIYKAMOQYPQBEF-GBESFXJTSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001023115365 655813557 /nfs/dbraw/zinc/81/35/57/655813557.db2.gz IPSIMLKSXKVWRO-IYBDPMFKSA-N 0 3 304.821 3.167 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001023402591 655831697 /nfs/dbraw/zinc/83/16/97/655831697.db2.gz PAYWYCQEAYZVBE-INIZCTEOSA-N 0 3 310.441 3.029 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001023422732 655833201 /nfs/dbraw/zinc/83/32/01/655833201.db2.gz QGKGUPMYSLCIKG-BHIYHBOVSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3c2CCCCC3)C1 ZINC001023434759 655833730 /nfs/dbraw/zinc/83/37/30/655833730.db2.gz PTQNMZQIBNWGBI-QGZVFWFLSA-N 0 3 324.468 3.031 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2CCC)C1 ZINC001023478770 655836220 /nfs/dbraw/zinc/83/62/20/655836220.db2.gz AOOWQSSOCFZCJA-QGZVFWFLSA-N 0 3 312.457 3.104 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001023524878 655839694 /nfs/dbraw/zinc/83/96/94/655839694.db2.gz CZDVVCMWMDSERM-OAHLLOKOSA-N 0 3 318.848 3.032 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC000972601601 655846714 /nfs/dbraw/zinc/84/67/14/655846714.db2.gz JMDQSXMCFJDZSS-FXAWDEMLSA-N 0 3 312.457 3.073 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)C[C@@H]1C ZINC000947579392 655849836 /nfs/dbraw/zinc/84/98/36/655849836.db2.gz APKNGFORQVOHQF-JXFKEZNVSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc(C(CC)CC)no2)C1 ZINC001023634595 655851431 /nfs/dbraw/zinc/85/14/31/655851431.db2.gz MSPYQIMEMAAVNL-AWEZNQCLSA-N 0 3 319.449 3.206 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001023698051 655856003 /nfs/dbraw/zinc/85/60/03/655856003.db2.gz NXOUYNPSOXWSGN-HNNXBMFYSA-N 0 3 318.848 3.032 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC001023720931 655857531 /nfs/dbraw/zinc/85/75/31/655857531.db2.gz XTMPUBATUYKAMH-QGZVFWFLSA-N 0 3 320.436 3.305 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2sccc2C(F)F)C1 ZINC001023727910 655858296 /nfs/dbraw/zinc/85/82/96/655858296.db2.gz WRVAAJCTTGACQS-LLVKDONJSA-N 0 3 314.401 3.314 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)c(CC)s2)C1 ZINC001023738564 655860247 /nfs/dbraw/zinc/86/02/47/655860247.db2.gz CPJVXGXJCMWSHD-OAHLLOKOSA-N 0 3 318.486 3.084 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001023765948 655863213 /nfs/dbraw/zinc/86/32/13/655863213.db2.gz GTWQFWGTHYBKJL-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001023781507 655865054 /nfs/dbraw/zinc/86/50/54/655865054.db2.gz PCZKYFSIICXKCG-KRWDZBQOSA-N 0 3 322.452 3.329 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000972685423 655865374 /nfs/dbraw/zinc/86/53/74/655865374.db2.gz VYKPXYOCTLZYMO-SFHVURJKSA-N 0 3 310.397 3.279 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c3occc32)C1 ZINC000972714395 655872853 /nfs/dbraw/zinc/87/28/53/655872853.db2.gz UAQJYPJADIZCRX-GFCCVEGCSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC000972714490 655872879 /nfs/dbraw/zinc/87/28/79/655872879.db2.gz UMIMUXLTLULTIH-INIZCTEOSA-N 0 3 309.413 3.014 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2oc3ccccc3c2Cl)C1 ZINC000972716684 655873486 /nfs/dbraw/zinc/87/34/86/655873486.db2.gz BYQSSDVWTVUFQR-GFCCVEGCSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000972791497 655882696 /nfs/dbraw/zinc/88/26/96/655882696.db2.gz NYCAMUQFZJPWJJ-AZRLCKCBSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001024136045 655889079 /nfs/dbraw/zinc/88/90/79/655889079.db2.gz SLQNXQVODGVUMK-RHSMWYFYSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001024344936 655902013 /nfs/dbraw/zinc/90/20/13/655902013.db2.gz LGPFPJHHLXYXCI-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001024539467 655914557 /nfs/dbraw/zinc/91/45/57/655914557.db2.gz YIGYITUPLGUWQH-QGZVFWFLSA-N 0 3 317.477 3.285 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001024549198 655915725 /nfs/dbraw/zinc/91/57/25/655915725.db2.gz RMNRSTXIJXBBMN-MRXNPFEDSA-N 0 3 311.429 3.100 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001024630120 655925856 /nfs/dbraw/zinc/92/58/56/655925856.db2.gz KXQSCKOQIKWHAC-KRWDZBQOSA-N 0 3 323.440 3.248 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001024649227 655927845 /nfs/dbraw/zinc/92/78/45/655927845.db2.gz RKMJANSRMPFWBX-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001024672053 655928735 /nfs/dbraw/zinc/92/87/35/655928735.db2.gz QLDKKJKWAPIEBN-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001024766653 655936702 /nfs/dbraw/zinc/93/67/02/655936702.db2.gz VGWCNVRUXRRDIC-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)csc1Cl ZINC001024777592 655937630 /nfs/dbraw/zinc/93/76/30/655937630.db2.gz MNAFHVHCMXUSAH-ZDUSSCGKSA-N 0 3 324.877 3.318 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001024777043 655938318 /nfs/dbraw/zinc/93/83/18/655938318.db2.gz DYSDAECFHCNQBZ-CYBMUJFWSA-N 0 3 317.458 3.390 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786798 655938632 /nfs/dbraw/zinc/93/86/32/655938632.db2.gz RLOQTYCXGUAOOE-CQSZACIVSA-N 0 3 308.372 3.125 20 30 DGEDHN CC(C)CC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024850631 655945317 /nfs/dbraw/zinc/94/53/17/655945317.db2.gz VMLKRPZDSRSVHW-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCCN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000178052893 655953756 /nfs/dbraw/zinc/95/37/56/655953756.db2.gz FADMIHLEBMMEBS-LBPRGKRZSA-N 0 3 302.809 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001025038473 655957989 /nfs/dbraw/zinc/95/79/89/655957989.db2.gz YSHOCDYVUGXEEX-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cnc(C)s1 ZINC001025041189 655958558 /nfs/dbraw/zinc/95/85/58/655958558.db2.gz VNZREKBSRBVSTE-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cc(C)ns1 ZINC001025041022 655958638 /nfs/dbraw/zinc/95/86/38/655958638.db2.gz RDUSHYZLUVGCLN-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cncs1 ZINC001025069761 655963674 /nfs/dbraw/zinc/96/36/74/655963674.db2.gz OFOKEMDQMCIZMC-RHSMWYFYSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188982 655974457 /nfs/dbraw/zinc/97/44/57/655974457.db2.gz NECQMOSEBOIBAT-KGLIPLIRSA-N 0 3 300.393 3.063 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196290 655976870 /nfs/dbraw/zinc/97/68/70/655976870.db2.gz SKCCMISXYGSFLJ-UXHICEINSA-N 0 3 324.468 3.477 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001025197899 655977449 /nfs/dbraw/zinc/97/74/49/655977449.db2.gz LNUDSGAKUNDNCC-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201296 655978047 /nfs/dbraw/zinc/97/80/47/655978047.db2.gz LJCNKHIIVTYUFO-IRXDYDNUSA-N 0 3 314.429 3.037 20 30 DGEDHN C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201296 655978048 /nfs/dbraw/zinc/97/80/48/655978048.db2.gz LJCNKHIIVTYUFO-IRXDYDNUSA-N 0 3 314.429 3.037 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201279 655978089 /nfs/dbraw/zinc/97/80/89/655978089.db2.gz KXXZHFRZMZNKOK-IAGOWNOFSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001025215146 655979838 /nfs/dbraw/zinc/97/98/38/655979838.db2.gz JDRNQMQFMJIQQG-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccsc1C ZINC001025228240 655981824 /nfs/dbraw/zinc/98/18/24/655981824.db2.gz WUDKDWQKIBIGQV-DLBZAZTESA-N 0 3 316.470 3.149 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C(C)C ZINC001025236114 655983007 /nfs/dbraw/zinc/98/30/07/655983007.db2.gz RQJSXBVXMFGFJW-IAGOWNOFSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C2CC2)CC1 ZINC001025242136 655983972 /nfs/dbraw/zinc/98/39/72/655983972.db2.gz GTLYVZLGWKHDCP-ZWKOTPCHSA-N 0 3 314.473 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CCCC1 ZINC001025255113 655985785 /nfs/dbraw/zinc/98/57/85/655985785.db2.gz NSSGWWROAHLEFK-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cocc1C ZINC001025256590 655985955 /nfs/dbraw/zinc/98/59/55/655985955.db2.gz YUBCOWDYYDJICE-IAGOWNOFSA-N 0 3 302.418 3.233 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C1CC1 ZINC001025264247 655986266 /nfs/dbraw/zinc/98/62/66/655986266.db2.gz YOYQOPCSNJMRDV-QZTJIDSGSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CC#CC ZINC001025260590 655986517 /nfs/dbraw/zinc/98/65/17/655986517.db2.gz YNJQDKXUALBKRE-DLBZAZTESA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C=C)cc1 ZINC001025265956 655986542 /nfs/dbraw/zinc/98/65/42/655986542.db2.gz BBGGHCXIDPUQJA-VQTJNVASSA-N 0 3 322.452 3.422 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2CC#CC)C1 ZINC001025269075 655987260 /nfs/dbraw/zinc/98/72/60/655987260.db2.gz KKXLWCGORRRXMB-QZTJIDSGSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1csc(C)c1 ZINC001025276700 655988284 /nfs/dbraw/zinc/98/82/84/655988284.db2.gz KMBWBQDFOUZTLM-SJORKVTESA-N 0 3 316.470 3.149 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1ccccc1 ZINC001025291869 655989336 /nfs/dbraw/zinc/98/93/36/655989336.db2.gz BWZSNAOIRLXWFQ-PMACEKPBSA-N 0 3 324.468 3.098 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC001025473511 656018786 /nfs/dbraw/zinc/01/87/86/656018786.db2.gz FBZQHMQXZFVIOJ-LSDHHAIUSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC001025480671 656021119 /nfs/dbraw/zinc/02/11/19/656021119.db2.gz ZPHZBOCDZVUODK-GOEBONIOSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001025484501 656021724 /nfs/dbraw/zinc/02/17/24/656021724.db2.gz FFPHIOXZVRHDBA-FUHWJXTLSA-N 0 3 324.468 3.336 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC001025519795 656026439 /nfs/dbraw/zinc/02/64/39/656026439.db2.gz QDEOFTRYBZCSNC-GOEBONIOSA-N 0 3 314.429 3.011 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001025523732 656027727 /nfs/dbraw/zinc/02/77/27/656027727.db2.gz LZDDXRGIBFPDIP-YJBOKZPZSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001025558955 656036802 /nfs/dbraw/zinc/03/68/02/656036802.db2.gz PWCOXNNWDIXDNK-CZUORRHYSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001025566443 656037590 /nfs/dbraw/zinc/03/75/90/656037590.db2.gz ASUNALZBLOTSLS-MKXGPGLRSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025601151 656043273 /nfs/dbraw/zinc/04/32/73/656043273.db2.gz AFXQEJYNYQDDFC-NCXUSEDFSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC001025598529 656043528 /nfs/dbraw/zinc/04/35/28/656043528.db2.gz ZXRWRJNHXBHBDW-XJKSGUPXSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3ccccc3c2)C1 ZINC001025602592 656043945 /nfs/dbraw/zinc/04/39/45/656043945.db2.gz JCMXOJXIRXFAQL-OXQOHEQNSA-N 0 3 320.436 3.303 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C(F)F)o2)C1 ZINC001025606495 656045321 /nfs/dbraw/zinc/04/53/21/656045321.db2.gz OJLXNOAHQOVHRG-QWHCGFSZSA-N 0 3 324.371 3.071 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC001025611596 656046407 /nfs/dbraw/zinc/04/64/07/656046407.db2.gz MRZCZJHHNZNDIW-PKOBYXMFSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025611006 656046854 /nfs/dbraw/zinc/04/68/54/656046854.db2.gz ZRMKNZLSHOSYBI-QZTJIDSGSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001025614000 656047869 /nfs/dbraw/zinc/04/78/69/656047869.db2.gz DXRISYGULZXSBG-MSOLQXFVSA-N 0 3 312.457 3.075 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC001025632845 656052628 /nfs/dbraw/zinc/05/26/28/656052628.db2.gz PDWGSCNGEWMUJV-HNAYVOBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001038360810 656100765 /nfs/dbraw/zinc/10/07/65/656100765.db2.gz SSGPYVZFTGGTAD-BZSNNMDCSA-N 0 3 304.478 3.360 20 30 DGEDHN C[C@@H](CC#N)NCCCCOc1ccc(Br)cc1 ZINC000930867388 656146359 /nfs/dbraw/zinc/14/63/59/656146359.db2.gz IMDSANSTEXDYMG-LBPRGKRZSA-N 0 3 311.223 3.500 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001008413322 656155997 /nfs/dbraw/zinc/15/59/97/656155997.db2.gz VVZJWAZPWIRMOD-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974551187 656213939 /nfs/dbraw/zinc/21/39/39/656213939.db2.gz GTMLHPURHSSIJU-CYBMUJFWSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001008655980 656218396 /nfs/dbraw/zinc/21/83/96/656218396.db2.gz CHKQXIMEQVATCF-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974641003 656219228 /nfs/dbraw/zinc/21/92/28/656219228.db2.gz FAOCQILTKDYILW-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2CCCCCCC2)C(C)(C)C1 ZINC000974801977 656230197 /nfs/dbraw/zinc/23/01/97/656230197.db2.gz OOFLKZAJJTUJDF-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)cc1 ZINC000974929344 656242048 /nfs/dbraw/zinc/24/20/48/656242048.db2.gz IDGAVPJVOJLDEV-SFHVURJKSA-N 0 3 310.441 3.074 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(C)ccc2C)C(C)(C)C1 ZINC000974993707 656247053 /nfs/dbraw/zinc/24/70/53/656247053.db2.gz IXHXQQYJWGTWIL-SFHVURJKSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C(C)(C)C1 ZINC000975025273 656249647 /nfs/dbraw/zinc/24/96/47/656249647.db2.gz DZYWPZAJCYQCII-UONOGXRCSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C(C)(C)C1 ZINC000975063285 656252710 /nfs/dbraw/zinc/25/27/10/656252710.db2.gz HRCINMNDQORUIM-XWTMOSNGSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)cc2Cl)C(C)(C)C1 ZINC000975078653 656254685 /nfs/dbraw/zinc/25/46/85/656254685.db2.gz IHXLONTWCJPDLY-MRXNPFEDSA-N 0 3 318.848 3.112 20 30 DGEDHN CC(C)CC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027277110 656278445 /nfs/dbraw/zinc/27/84/45/656278445.db2.gz VVOYOQAJOWLXBI-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001027368800 656297181 /nfs/dbraw/zinc/29/71/81/656297181.db2.gz QPKFCIMMNSYSGN-IBGZPJMESA-N 0 3 323.440 3.091 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC001027457444 656310248 /nfs/dbraw/zinc/31/02/48/656310248.db2.gz JMAVVLDSGZRZAK-INIZCTEOSA-N 0 3 312.457 3.154 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)C(C)(C)C1 ZINC000977246045 656318322 /nfs/dbraw/zinc/31/83/22/656318322.db2.gz ZAZXXIJCPHAUTJ-XJKSGUPXSA-N 0 3 319.449 3.204 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001027505685 656320642 /nfs/dbraw/zinc/32/06/42/656320642.db2.gz OOWWRJCKUZBHSP-KRWDZBQOSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C(F)F)cc2)C(C)(C)C1 ZINC000977319711 656321941 /nfs/dbraw/zinc/32/19/41/656321941.db2.gz NFTQGQQJEVRRBC-OAHLLOKOSA-N 0 3 320.383 3.088 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC000977341407 656323421 /nfs/dbraw/zinc/32/34/21/656323421.db2.gz HCIRNHVJILGCAQ-WMLDXEAASA-N 0 3 318.436 3.332 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001027521360 656328608 /nfs/dbraw/zinc/32/86/08/656328608.db2.gz BRVVDIHDTFHUHS-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977520153 656336671 /nfs/dbraw/zinc/33/66/71/656336671.db2.gz BSXHKYYLRHKPAB-NVXWUHKLSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc3[nH]ccc3s2)C(C)(C)C1 ZINC000977522535 656338808 /nfs/dbraw/zinc/33/88/08/656338808.db2.gz DFOAGQGBGOFQSD-OAHLLOKOSA-N 0 3 317.458 3.246 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(C3CCCCC3)CC2)C(C)(C)C1 ZINC000977529546 656339460 /nfs/dbraw/zinc/33/94/60/656339460.db2.gz UAFJJAYDQPBGML-KRWDZBQOSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C(C)C)cc2)C(C)(C)C1 ZINC000977536207 656340202 /nfs/dbraw/zinc/34/02/02/656340202.db2.gz VYELUFDHOKQCRH-GOSISDBHSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977554370 656341917 /nfs/dbraw/zinc/34/19/17/656341917.db2.gz VBRMZJBIDHXOOU-SFHVURJKSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977554369 656342136 /nfs/dbraw/zinc/34/21/36/656342136.db2.gz VBRMZJBIDHXOOU-GOSISDBHSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(C)(C)C1 ZINC000977545653 656343320 /nfs/dbraw/zinc/34/33/20/656343320.db2.gz RHPZGXUYMBQJAM-MRXNPFEDSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC000977640946 656350904 /nfs/dbraw/zinc/35/09/04/656350904.db2.gz OURBNRZVYHAKLP-CQSZACIVSA-N 0 3 321.490 3.112 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977644796 656351413 /nfs/dbraw/zinc/35/14/13/656351413.db2.gz HEGHUPMNMBJVFY-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2(C3CCCCC3)CC2)CC1 ZINC001006340242 661257312 /nfs/dbraw/zinc/25/73/12/661257312.db2.gz NQHKRNLEXSAADP-UHFFFAOYSA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001027647912 656385192 /nfs/dbraw/zinc/38/51/92/656385192.db2.gz MVUCQQBFKHDQGS-HNNXBMFYSA-N 0 3 318.848 3.126 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2sc(C)cc2C)CC1 ZINC001006352963 661257534 /nfs/dbraw/zinc/25/75/34/661257534.db2.gz JHWLCCPLFFRNFX-UHFFFAOYSA-N 0 3 306.475 3.016 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc([C@@H](C)CC)cc3)[C@@H]2C1 ZINC000979112246 656413438 /nfs/dbraw/zinc/41/34/38/656413438.db2.gz OPOBQXYKWRXEQC-MVJPYGJCSA-N 0 3 324.468 3.131 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cccs3)C[C@@H]2C1 ZINC000979480379 656430046 /nfs/dbraw/zinc/43/00/46/656430046.db2.gz QOZAKQCUPIEQRB-BFHYXJOUSA-N 0 3 324.877 3.331 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C)o3)C[C@H]2C1 ZINC000979489361 656431927 /nfs/dbraw/zinc/43/19/27/656431927.db2.gz LEEGFMCBFXOIMH-SOUVJXGZSA-N 0 3 322.836 3.171 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(F)c3ccccc3c2)CC1 ZINC001052432734 656436312 /nfs/dbraw/zinc/43/63/12/656436312.db2.gz JODOONCDOPYGNB-QGZVFWFLSA-N 0 3 324.399 3.196 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC001052447090 656436794 /nfs/dbraw/zinc/43/67/94/656436794.db2.gz WSAVDBBQQURMHJ-CVEARBPZSA-N 0 3 321.440 3.007 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC001052603122 656448608 /nfs/dbraw/zinc/44/86/08/656448608.db2.gz RPFUAAWMYWIREY-QGZVFWFLSA-N 0 3 323.440 3.084 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3(C)CC=CC3)C[C@@H]2C1 ZINC000980181865 656461188 /nfs/dbraw/zinc/46/11/88/656461188.db2.gz ZQCFVMBGZRLQMI-ARFHVFGLSA-N 0 3 322.880 3.312 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(CC)c1 ZINC001039396751 656493034 /nfs/dbraw/zinc/49/30/34/656493034.db2.gz DALYNSPIFJEZAI-MOPGFXCFSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC2(CC2)CC1 ZINC001039405866 656494925 /nfs/dbraw/zinc/49/49/25/656494925.db2.gz MNDQJYMRKXPGFU-MSOLQXFVSA-N 0 3 314.473 3.045 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccc1 ZINC001039461537 656507228 /nfs/dbraw/zinc/50/72/28/656507228.db2.gz WMRTYUOUVGRKIP-KURKYZTESA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000980454634 656507705 /nfs/dbraw/zinc/50/77/05/656507705.db2.gz VQAADPVQRBBVBR-ROUUACIJSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2[nH]1 ZINC001039467987 656508956 /nfs/dbraw/zinc/50/89/56/656508956.db2.gz NGRNIDSCZDBRAD-SJORKVTESA-N 0 3 323.440 3.423 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC000980501222 656515209 /nfs/dbraw/zinc/51/52/09/656515209.db2.gz TVFQMRHKQJKQHZ-IAGOWNOFSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC000980501925 656515389 /nfs/dbraw/zinc/51/53/89/656515389.db2.gz FCJPWAOTSVHVNP-ROUUACIJSA-N 0 3 318.436 3.284 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCCc3ccccc32)C1 ZINC000980504015 656516222 /nfs/dbraw/zinc/51/62/22/656516222.db2.gz PCAPWIIPSHPYQW-HKUYNNGSSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027948306 656523835 /nfs/dbraw/zinc/52/38/35/656523835.db2.gz FPHDQTPRBPXIBU-ZDUSSCGKSA-N 0 3 308.372 3.044 20 30 DGEDHN C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCCC1 ZINC001039532408 656525349 /nfs/dbraw/zinc/52/53/49/656525349.db2.gz QAIDJMKBMDSOQK-NXHRZFHOSA-N 0 3 317.477 3.182 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001039608595 656530644 /nfs/dbraw/zinc/53/06/44/656530644.db2.gz AFXTWLBGEOWBER-GASCZTMLSA-N 0 3 312.885 3.486 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039895974 656540447 /nfs/dbraw/zinc/54/04/47/656540447.db2.gz BGJRNKWTWMDPBA-SCTDSRPQSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)C3CCCCC3)C[C@@H]2C1 ZINC001049113694 656563360 /nfs/dbraw/zinc/56/33/60/656563360.db2.gz QFRGDEGROJEMGJ-QRQLOZEOSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3oc(C)cc3C)C2)C1 ZINC001040149626 656565603 /nfs/dbraw/zinc/56/56/03/656565603.db2.gz JQJVEUXSSJKPPU-GOSISDBHSA-N 0 3 302.418 3.011 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1coc2cc(F)ccc12 ZINC001027982859 656567795 /nfs/dbraw/zinc/56/77/95/656567795.db2.gz WUGCKOBCPVMFOD-AWEZNQCLSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3csc(C)c3C)C2)C1 ZINC001040219324 656569924 /nfs/dbraw/zinc/56/99/24/656569924.db2.gz CUZZQPCBJDDWDP-SFHVURJKSA-N 0 3 318.486 3.479 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ccccc3CCC)C2)C1 ZINC001040289303 656574718 /nfs/dbraw/zinc/57/47/18/656574718.db2.gz NUPMFTQKOWZYFJ-NRFANRHFSA-N 0 3 324.468 3.200 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc([C@@H](C)CC)cc3)C[C@@H]2C1 ZINC001049237066 656574773 /nfs/dbraw/zinc/57/47/73/656574773.db2.gz WTVSAFROEWHLSF-FFZOFVMBSA-N 0 3 324.468 3.227 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C3CCCC3)C2)C1 ZINC001040489457 656591071 /nfs/dbraw/zinc/59/10/71/656591071.db2.gz RMDZCRZWSJVFGD-YLJYHZDGSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c3c(cccc31)CC2 ZINC001028011439 656597524 /nfs/dbraw/zinc/59/75/24/656597524.db2.gz PEHNAUIONLGVIY-KRWDZBQOSA-N 0 3 320.436 3.319 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCCCC1 ZINC001049305997 656597771 /nfs/dbraw/zinc/59/77/71/656597771.db2.gz IAGRGYZNFOLVOL-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)oc1C ZINC001049320381 656601554 /nfs/dbraw/zinc/60/15/54/656601554.db2.gz IHXXHXQJIUSQIN-IAGOWNOFSA-N 0 3 302.418 3.151 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)oc1C ZINC001049320378 656601580 /nfs/dbraw/zinc/60/15/80/656601580.db2.gz IHXXHXQJIUSQIN-DLBZAZTESA-N 0 3 302.418 3.151 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)oc1C ZINC001049320384 656601698 /nfs/dbraw/zinc/60/16/98/656601698.db2.gz IHXXHXQJIUSQIN-SJORKVTESA-N 0 3 302.418 3.151 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cn(CC)c2ccccc12 ZINC001028013174 656602064 /nfs/dbraw/zinc/60/20/64/656602064.db2.gz ZPZNVQWRYAYKQD-OAHLLOKOSA-N 0 3 311.429 3.041 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C3=CCCCCC3)C2)CC1 ZINC001040684231 656602592 /nfs/dbraw/zinc/60/25/92/656602592.db2.gz HWSLUBDSYMBWOZ-UHFFFAOYSA-N 0 3 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C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(c2ccccc2)CCC1 ZINC001049581539 656645159 /nfs/dbraw/zinc/64/51/59/656645159.db2.gz IGWIVVQHJFKXRO-RTBURBONSA-N 0 3 324.468 3.360 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1cc2ccccc2o1 ZINC001049629461 656653028 /nfs/dbraw/zinc/65/30/28/656653028.db2.gz KJOMABKKQCXDOF-QZTJIDSGSA-N 0 3 324.424 3.227 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1cc2ccccc2o1 ZINC001049629463 656653369 /nfs/dbraw/zinc/65/33/69/656653369.db2.gz KJOMABKKQCXDOF-ZWKOTPCHSA-N 0 3 324.424 3.227 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1csc2ccccc12 ZINC001028054163 656653429 /nfs/dbraw/zinc/65/34/29/656653429.db2.gz SHPGAEKFGPKTIF-CQSZACIVSA-N 0 3 312.438 3.119 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C)c(Cl)cc1C ZINC001028069464 656661088 /nfs/dbraw/zinc/66/10/88/656661088.db2.gz JRSVCPGWRSLGSU-OAHLLOKOSA-N 0 3 318.848 3.174 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(C(F)F)c1 ZINC001049669861 656661762 /nfs/dbraw/zinc/66/17/62/656661762.db2.gz 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656676903 /nfs/dbraw/zinc/67/69/03/656676903.db2.gz XSHOMBBNJUUTPQ-QWFCFKBJSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(F)cc(Cl)c1 ZINC001049746023 656676937 /nfs/dbraw/zinc/67/69/37/656676937.db2.gz BSEMHRSKBGKDAT-HZPDHXFCSA-N 0 3 322.811 3.344 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H](NCc3nccs3)C2)C1 ZINC000981319116 656677389 /nfs/dbraw/zinc/67/73/89/656677389.db2.gz NKAZAYUHFVEGOS-ZIAGYGMSSA-N 0 3 319.474 3.016 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)c3ccccc3)C2)C1 ZINC001041816358 656680655 /nfs/dbraw/zinc/68/06/55/656680655.db2.gz NCVATFISOMBAJY-NQIIRXRSSA-N 0 3 324.468 3.128 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1cccc(C)c1 ZINC001049758346 656680744 /nfs/dbraw/zinc/68/07/44/656680744.db2.gz JXPMZCWWDAEDOQ-YZGWKJHDSA-N 0 3 324.468 3.187 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1cccc(C)c1 ZINC001049758344 656680991 /nfs/dbraw/zinc/68/09/91/656680991.db2.gz JXPMZCWWDAEDOQ-MISYRCLQSA-N 0 3 324.468 3.187 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsc1Cl ZINC001049761893 656682180 /nfs/dbraw/zinc/68/21/80/656682180.db2.gz MRDDJVQHIVKAEQ-OLZOCXBDSA-N 0 3 310.850 3.266 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)C2)C1 ZINC001041838415 656683888 /nfs/dbraw/zinc/68/38/88/656683888.db2.gz CFNHCQCYPYVZLK-UXHICEINSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)no1 ZINC001049767118 656684041 /nfs/dbraw/zinc/68/40/41/656684041.db2.gz NRLLRNBYHUFEOE-HZPDHXFCSA-N 0 3 317.433 3.053 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(CC)CCCCC3)C2)C1 ZINC001041842707 656684697 /nfs/dbraw/zinc/68/46/97/656684697.db2.gz ASHLEDKWLREDTQ-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001049782503 656686393 /nfs/dbraw/zinc/68/63/93/656686393.db2.gz PQDBXYPPXPRJJV-YRPNKDGESA-N 0 3 324.468 3.350 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001049784004 656686578 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C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001049853529 656698792 /nfs/dbraw/zinc/69/87/92/656698792.db2.gz BGEVTSIELDBLEC-XLAORIBOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(F)cccc1Cl ZINC001049861773 656703597 /nfs/dbraw/zinc/70/35/97/656703597.db2.gz FQDUGHKQMQZNGD-LSDHHAIUSA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC(C2CC2)CC1 ZINC001049871580 656707243 /nfs/dbraw/zinc/70/72/43/656707243.db2.gz RGMODIYUVMGQFT-BTRQGYIVSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(F)cc1F ZINC001049875098 656709139 /nfs/dbraw/zinc/70/91/39/656709139.db2.gz JVULJJNAQGEVGN-SJORKVTESA-N 0 3 320.383 3.220 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049883818 656713449 /nfs/dbraw/zinc/71/34/49/656713449.db2.gz JWPHNMAYCXVJTJ-CABCVRRESA-N 0 3 319.474 3.015 20 30 DGEDHN C=C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CC)c1ccccc1 ZINC001049907951 656717944 /nfs/dbraw/zinc/71/79/44/656717944.db2.gz 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C#CCCN1CCCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000981596630 656733488 /nfs/dbraw/zinc/73/34/88/656733488.db2.gz APRRTLTYJXFELG-VQTJNVASSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C[C@@H]21 ZINC001042200645 656735246 /nfs/dbraw/zinc/73/52/46/656735246.db2.gz HYPHPXBFAINANT-QAPCUYQASA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(Cl)c3F)C[C@H]21 ZINC001042205674 656736193 /nfs/dbraw/zinc/73/61/93/656736193.db2.gz DUZQZGFABNUPFW-SWLSCSKDSA-N 0 3 322.811 3.202 20 30 DGEDHN CCOC(=O)N[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000929267892 661292797 /nfs/dbraw/zinc/29/27/97/661292797.db2.gz LDCXNEPENZAVRV-OAHLLOKOSA-N 0 3 307.438 3.061 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3Cl)C[C@@H]21 ZINC001042240430 656742320 /nfs/dbraw/zinc/74/23/20/656742320.db2.gz LFZGRVGLWXMLDI-PBHICJAKSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3csc(Cl)c3)C[C@@H]21 ZINC001042252799 656745431 /nfs/dbraw/zinc/74/54/31/656745431.db2.gz 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C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001016965324 658360813 /nfs/dbraw/zinc/36/08/13/658360813.db2.gz PBRXKGWNMZFHEI-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(C3CC3)c2)CC1 ZINC001016990982 658365927 /nfs/dbraw/zinc/36/59/27/658365927.db2.gz XDNIPTACCXTXSO-IBGZPJMESA-N 0 3 322.452 3.172 20 30 DGEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC000989236185 658454277 /nfs/dbraw/zinc/45/42/77/658454277.db2.gz LJLDCVPTQFDEEN-ZBFHGGJFSA-N 0 3 304.478 3.051 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001017758456 658458028 /nfs/dbraw/zinc/45/80/28/658458028.db2.gz XEZAGTHSPOYKIV-BSHDOZJQSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966261478 658458766 /nfs/dbraw/zinc/45/87/66/658458766.db2.gz HTLNSALPYJGUAM-YPMHNXCESA-N 0 3 312.866 3.418 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001017767861 658459685 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C=C(C)CCN1CCCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000989442389 658485838 /nfs/dbraw/zinc/48/58/38/658485838.db2.gz HLHFBQRWDPKKIP-UHFFFAOYSA-N 0 3 317.433 3.056 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2ccccc2C1 ZINC001017996354 658489260 /nfs/dbraw/zinc/48/92/60/658489260.db2.gz SSYJASHZWFFAMM-SLFFLAALSA-N 0 3 324.468 3.043 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001018120930 658503978 /nfs/dbraw/zinc/50/39/78/658503978.db2.gz YUDZIFXZJSEYBC-ZSYWTGECSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967005415 658529266 /nfs/dbraw/zinc/52/92/66/658529266.db2.gz DTLGHTWZYCEXOH-QFBILLFUSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CCC1CC2 ZINC001018317820 658534991 /nfs/dbraw/zinc/53/49/91/658534991.db2.gz ICOZFSPKLNRKTI-DUBPFDJUSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC000967228017 658550564 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C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001019331656 658632575 /nfs/dbraw/zinc/63/25/75/658632575.db2.gz ASSHSVOPVSWNOM-KSSFIOAISA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CC3CCCCC3)CCC[C@H]12 ZINC000989932296 658632776 /nfs/dbraw/zinc/63/27/76/658632776.db2.gz MZTYXMHMCSBMQW-PKOBYXMFSA-N 0 3 302.462 3.093 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC000967997556 658652606 /nfs/dbraw/zinc/65/26/06/658652606.db2.gz VWPSUYCCGFSURG-GOEBONIOSA-N 0 3 304.434 3.419 20 30 DGEDHN Cc1cccc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000127900332 658660716 /nfs/dbraw/zinc/66/07/16/658660716.db2.gz GVLIQPYBWIAXEC-YOEHRIQHSA-N 0 3 322.364 3.110 20 30 DGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3oc(C)cc3C)CCC[C@@H]12 ZINC000990119399 658660821 /nfs/dbraw/zinc/66/08/21/658660821.db2.gz CLKCNPGVBPMQAJ-QAPCUYQASA-N 0 3 302.418 3.199 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968189354 658679191 /nfs/dbraw/zinc/67/91/91/658679191.db2.gz 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C#CCCN1C[C@@H](NC(=O)C2CCCCCCC2)CC[C@@H]1C ZINC001071674354 686720461 /nfs/dbraw/zinc/72/04/61/686720461.db2.gz RVZSPVKTXPOJIR-WMZOPIPTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3ncccc32)CC[C@H]1C ZINC001071722655 686732854 /nfs/dbraw/zinc/73/28/54/686732854.db2.gz YOLYXJKTLHAIIU-CVEARBPZSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@H]1C ZINC001071772476 686747933 /nfs/dbraw/zinc/74/79/33/686747933.db2.gz LLXIFIUFNYZCFJ-HIFRSBDPSA-N 0 3 301.434 3.051 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@H]1C ZINC001071772477 686748085 /nfs/dbraw/zinc/74/80/85/686748085.db2.gz LLXIFIUFNYZCFJ-UKRRQHHQSA-N 0 3 301.434 3.051 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@H]1C ZINC001071792533 686755803 /nfs/dbraw/zinc/75/58/03/686755803.db2.gz KPFRSFYGALAELZ-MJGOQNOKSA-N 0 3 314.473 3.391 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)cc(Cl)c2)CC[C@H]1C ZINC001071844833 686769311 /nfs/dbraw/zinc/76/93/11/686769311.db2.gz 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C=C(C)CN1C[C@@H](NC(=O)c2cccc3c2CCC3)CC[C@H]1C ZINC001072110330 686873128 /nfs/dbraw/zinc/87/31/28/686873128.db2.gz WEPAZONDTWLVCM-WBVHZDCISA-N 0 3 312.457 3.334 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(c3ccccc3C)CC2)CC[C@@H]1C ZINC001072116722 686874850 /nfs/dbraw/zinc/87/48/50/686874850.db2.gz PXAYGLYIDLRTML-ZWKOTPCHSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCN1C[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)CC[C@@H]1C ZINC001072119715 686874867 /nfs/dbraw/zinc/87/48/67/686874867.db2.gz IUPKFMPYCNMFTP-GXTWGEPZSA-N 0 3 315.392 3.076 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cccc2F)CC[C@H]1C ZINC001072116241 686875776 /nfs/dbraw/zinc/87/57/76/686875776.db2.gz KBMBZYPENYMBCJ-HUUCEWRRSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cnc(C(C)C)s2)CC[C@H]1C ZINC001072127630 686877944 /nfs/dbraw/zinc/87/79/44/686877944.db2.gz WAYBGLQIGYDPKO-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)C1 ZINC001073418339 687191570 /nfs/dbraw/zinc/19/15/70/687191570.db2.gz ZSSHAODJHLHYPI-UHFFFAOYSA-N 0 3 323.440 3.119 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001075825895 687447130 /nfs/dbraw/zinc/44/71/30/687447130.db2.gz HBNTXAIMTITTFU-FGTMMUONSA-N 0 3 302.462 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3cc4ccccc4o3)[C@@H]2C1 ZINC001076015130 687467187 /nfs/dbraw/zinc/46/71/87/687467187.db2.gz ZLWCMAIALICCKM-FUHWJXTLSA-N 0 3 324.424 3.084 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCC3CCCCCC3)[C@@H]2C1 ZINC001076054513 687471099 /nfs/dbraw/zinc/47/10/99/687471099.db2.gz IYNDGURLQOTDRZ-ZWKOTPCHSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)CC1 ZINC001076208599 687495650 /nfs/dbraw/zinc/49/56/50/687495650.db2.gz BDSANSLGPOKAKB-ZWKOTPCHSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3[C@H]4CCCCCC[C@H]34)[C@@H]2C1 ZINC001076287182 687503039 /nfs/dbraw/zinc/50/30/39/687503039.db2.gz IQTIQEFKSPAQCC-XLAORIBOSA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3cc(Cl)cs3)[C@@H]2C1 ZINC001076301069 687506993 /nfs/dbraw/zinc/50/69/93/687506993.db2.gz FDBPUAAVJLRUDT-SWLSCSKDSA-N 0 3 324.877 3.053 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc4ccccc43)[C@@H]2C1 ZINC001076488742 687528921 /nfs/dbraw/zinc/52/89/21/687528921.db2.gz JHRVOEQNMSKYBG-AZUAARDMSA-N 0 3 320.436 3.101 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3CCc4ccccc43)[C@@H]2C1 ZINC001076596617 687540143 /nfs/dbraw/zinc/54/01/43/687540143.db2.gz MGBGOFFZZAVXPT-CMKODMSKSA-N 0 3 324.468 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001076597163 687540867 /nfs/dbraw/zinc/54/08/67/687540867.db2.gz XQRHHZRDDOBFJJ-ZIFCJYIRSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@H]3CCc4ccccc43)[C@@H]2C1 ZINC001076596621 687540942 /nfs/dbraw/zinc/54/09/42/687540942.db2.gz MGBGOFFZZAVXPT-WSTZPKSXSA-N 0 3 324.468 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618347 687543887 /nfs/dbraw/zinc/54/38/87/687543887.db2.gz IEUQMIRISKCMQW-IXDOHACOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC001076648833 687546392 /nfs/dbraw/zinc/54/63/92/687546392.db2.gz KCNPGSJBAYROSL-DLBZAZTESA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cccc(C)c2)C12CCC2 ZINC001078543718 687680617 /nfs/dbraw/zinc/68/06/17/687680617.db2.gz SHKYYIFLHZAOLH-CVEARBPZSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cc(C)oc2C)C12CCC2 ZINC001078550732 687681229 /nfs/dbraw/zinc/68/12/29/687681229.db2.gz ILWPSSLSLCLJNW-HUUCEWRRSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2csc(C)c2)C12CCC2 ZINC001078745652 687719428 /nfs/dbraw/zinc/71/94/28/687719428.db2.gz AJGNYYVZXSGURV-KBPBESRZSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001079717649 687879784 /nfs/dbraw/zinc/87/97/84/687879784.db2.gz TUTWENRDPVYCAW-RHSMWYFYSA-N 0 3 315.461 3.005 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001080123200 687922739 /nfs/dbraw/zinc/92/27/39/687922739.db2.gz MOLRWGHZPBAKFK-ATZDWAIDSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001080215689 687931718 /nfs/dbraw/zinc/93/17/18/687931718.db2.gz ZVNHGCLNQGEFBC-RDTXWAMCSA-N 0 3 311.429 3.103 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001080558790 687995051 /nfs/dbraw/zinc/99/50/51/687995051.db2.gz DGQJHHGKIOLGPZ-OLMMMNRUSA-N 0 3 306.494 3.461 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001080884353 688021996 /nfs/dbraw/zinc/02/19/96/688021996.db2.gz WZOBYGVUKPQKGL-RDHHWEPZSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001080962429 688029417 /nfs/dbraw/zinc/02/94/17/688029417.db2.gz DQFNXJRMUGSCTN-GDBMZVCRSA-N 0 3 304.409 3.069 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001080979494 688030507 /nfs/dbraw/zinc/03/05/07/688030507.db2.gz RCQDTXBBZSQKIV-WQQUDBQHSA-N 0 3 316.489 3.071 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001081012562 688034280 /nfs/dbraw/zinc/03/42/80/688034280.db2.gz ZLACKZGGRQLROP-AYOQOUSVSA-N 0 3 312.457 3.119 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1c1ccccc1 ZINC001081111327 688053847 /nfs/dbraw/zinc/05/38/47/688053847.db2.gz RIHJTDYTUCOFPX-VQTJNVASSA-N 0 3 322.452 3.094 20 30 DGEDHN CCCC[C@H](N)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC001577412804 1191898833 /nfs/dbraw/zinc/89/88/33/1191898833.db2.gz YNROKMKRFRYKDW-AWEZNQCLSA-N 0 3 303.406 3.192 20 30 DGEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC001577627658 1191909603 /nfs/dbraw/zinc/90/96/03/1191909603.db2.gz KCJYZGPMEWFCAN-CYBMUJFWSA-N 0 3 313.323 3.079 20 30 DGEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC001620573685 1191997519 /nfs/dbraw/zinc/99/75/19/1191997519.db2.gz SSQLRMCIDMBQJO-STQMWFEESA-N 0 3 324.346 3.378 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)C ZINC001584868427 1192226700 /nfs/dbraw/zinc/22/67/00/1192226700.db2.gz JKNDPAUGCUCVOK-MSOLQXFVSA-N 0 3 300.446 3.163 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001663166308 1196802843 /nfs/dbraw/zinc/80/28/43/1196802843.db2.gz FGAHIYRKCCJHFY-HNNXBMFYSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001663614275 1196914372 /nfs/dbraw/zinc/91/43/72/1196914372.db2.gz QUUIUVUFVXJNQP-GJZGRUSLSA-N 0 3 306.475 3.289 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001663684520 1196928640 /nfs/dbraw/zinc/92/86/40/1196928640.db2.gz ZCQRACPDGJDBQZ-LPHOPBHVSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588546097 1192450409 /nfs/dbraw/zinc/45/04/09/1192450409.db2.gz XJTGQVXLUOIADW-GOSISDBHSA-N 0 3 319.412 3.144 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588546097 1192450411 /nfs/dbraw/zinc/45/04/11/1192450411.db2.gz XJTGQVXLUOIADW-GOSISDBHSA-N 0 3 319.412 3.144 20 30 DGEDHN C=CC[C@@H]1[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCCC1(C)C ZINC001588563918 1192450581 /nfs/dbraw/zinc/45/05/81/1192450581.db2.gz FDYRJONDNOEKCF-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@@H]1[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCCC1(C)C ZINC001588563918 1192450584 /nfs/dbraw/zinc/45/05/84/1192450584.db2.gz FDYRJONDNOEKCF-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@@H]1[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CCCC1(C)C ZINC001588563918 1192450585 /nfs/dbraw/zinc/45/05/85/1192450585.db2.gz FDYRJONDNOEKCF-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@@H]1[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CCCC1(C)C ZINC001588563918 1192450589 /nfs/dbraw/zinc/45/05/89/1192450589.db2.gz FDYRJONDNOEKCF-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590462538 1192510410 /nfs/dbraw/zinc/51/04/10/1192510410.db2.gz CZIGUKYDJKIGIP-HNNXBMFYSA-N 0 3 312.421 3.237 20 30 DGEDHN CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590462538 1192510411 /nfs/dbraw/zinc/51/04/11/1192510411.db2.gz CZIGUKYDJKIGIP-HNNXBMFYSA-N 0 3 312.421 3.237 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001665670623 1197167759 /nfs/dbraw/zinc/16/77/59/1197167759.db2.gz LPBVWBTWOGGGPR-WMZOPIPTSA-N 0 3 304.478 3.149 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)Cc1ccc(C(C)C)cc1 ZINC001691017752 1176099204 /nfs/dbraw/zinc/09/92/04/1176099204.db2.gz RQNKSSHLYGPOKJ-UHFFFAOYSA-N 0 3 314.473 3.408 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cncc(C)c1 ZINC001671337987 1176160675 /nfs/dbraw/zinc/16/06/75/1176160675.db2.gz XKXCVZBQTFQKRA-FUHWJXTLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C/Cl)C1 ZINC001672208590 1176186524 /nfs/dbraw/zinc/18/65/24/1176186524.db2.gz FWPCTANHDRGGDR-UYMCOASYSA-N 0 3 319.276 3.488 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001670605203 1176188645 /nfs/dbraw/zinc/18/86/45/1176188645.db2.gz GLUKIONDZOYTQC-MRXNPFEDSA-N 0 3 305.466 3.108 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)CCc1ccccc1F ZINC001670686327 1176216680 /nfs/dbraw/zinc/21/66/80/1176216680.db2.gz FBIYRNVFBITSPU-WBVHZDCISA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001670707060 1176225558 /nfs/dbraw/zinc/22/55/58/1176225558.db2.gz JTHPYBGZZSTQIO-BEFAXECRSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(CC=C)CC=C)C2 ZINC001671594216 1176227121 /nfs/dbraw/zinc/22/71/21/1176227121.db2.gz SPOROTZGDGIAJY-HXUWFJFHSA-N 0 3 314.473 3.093 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001670728650 1176246397 /nfs/dbraw/zinc/24/63/97/1176246397.db2.gz ATGFVRGTJSBHMD-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001670730104 1176251069 /nfs/dbraw/zinc/25/10/69/1176251069.db2.gz RWVPMLZYWWFMFQ-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@@H]2CCN2C[C@@H](C)OC)CCCCC1 ZINC001691061721 1176286008 /nfs/dbraw/zinc/28/60/08/1176286008.db2.gz JCAQJCKPDMZYMF-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1CCCCC(F)(F)F ZINC001691069139 1176291841 /nfs/dbraw/zinc/29/18/41/1176291841.db2.gz HOZDCUWCOITJHA-ZDUSSCGKSA-N 0 3 306.372 3.266 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001691084182 1176300538 /nfs/dbraw/zinc/30/05/38/1176300538.db2.gz PNPGYMHUJXETCM-KCQAQPDRSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001691108174 1176316896 /nfs/dbraw/zinc/31/68/96/1176316896.db2.gz CDHKMKLDGHEBQB-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001691144049 1176337716 /nfs/dbraw/zinc/33/77/16/1176337716.db2.gz FSNAGBLFDJQQQO-BZUAXINKSA-N 0 3 316.420 3.031 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cccc(Cl)c1)C1CC1 ZINC001691222947 1176400803 /nfs/dbraw/zinc/40/08/03/1176400803.db2.gz NQGWYZPSQVKHRW-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)CC(C)C)C2)CC1 ZINC001691277049 1176420830 /nfs/dbraw/zinc/42/08/30/1176420830.db2.gz MRTYGXHPJQFBLM-ROUUACIJSA-N 0 3 318.505 3.395 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001691275980 1176420904 /nfs/dbraw/zinc/42/09/04/1176420904.db2.gz YCGKTXLETIIOLM-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)CC(C)C)C2)CC1 ZINC001691277048 1176421060 /nfs/dbraw/zinc/42/10/60/1176421060.db2.gz MRTYGXHPJQFBLM-QZTJIDSGSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001691288600 1176425512 /nfs/dbraw/zinc/42/55/12/1176425512.db2.gz CBDDSZHCSGHEKN-WBVHZDCISA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(F)cc1Cl ZINC001691398848 1176465490 /nfs/dbraw/zinc/46/54/90/1176465490.db2.gz KYUGWKQBVXBHBN-HNNXBMFYSA-N 0 3 324.827 3.130 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001691460197 1176625214 /nfs/dbraw/zinc/62/52/14/1176625214.db2.gz JIOGTPMESKYNLO-FHLIZLRMSA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCCCC(=O)N1CCC(CC)(NCc2nccs2)CC1 ZINC001755071335 1176734043 /nfs/dbraw/zinc/73/40/43/1176734043.db2.gz PWKTZKKEOULXHO-UHFFFAOYSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)C(C)C ZINC001687383737 1176897675 /nfs/dbraw/zinc/89/76/75/1176897675.db2.gz GESJOQNMWIUZGW-SFHVURJKSA-N 0 3 315.461 3.175 20 30 DGEDHN CC#CC[C@H](CO)NCc1cc(F)ccc1N(C)C[C@H](C)CC ZINC001620990304 1192777244 /nfs/dbraw/zinc/77/72/44/1192777244.db2.gz MJAUNDQCBDEPNU-CRAIPNDOSA-N 0 3 320.452 3.172 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)CCC1 ZINC001670850234 1177229005 /nfs/dbraw/zinc/22/90/05/1177229005.db2.gz CXCUHPUYRIVILY-UHFFFAOYSA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CCCCCC(C)C)CC1 ZINC001755845039 1177284346 /nfs/dbraw/zinc/28/43/46/1177284346.db2.gz UDUUVCBUFZEOCZ-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001691550663 1177310369 /nfs/dbraw/zinc/31/03/69/1177310369.db2.gz CSFPLQADBAMZMJ-DLBZAZTESA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C=C(CC)CC)C1 ZINC001691550988 1177310396 /nfs/dbraw/zinc/31/03/96/1177310396.db2.gz JKCYLSRRWRMFKG-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cccc(OC)c2)CC1 ZINC001670864053 1177377825 /nfs/dbraw/zinc/37/78/25/1177377825.db2.gz LENZKFPUIHWXTF-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC(C)C ZINC001671011451 1177570148 /nfs/dbraw/zinc/57/01/48/1177570148.db2.gz WJEBHWWFYFPGGH-HDICACEKSA-N 0 3 304.478 3.147 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]1C ZINC001691654452 1177585658 /nfs/dbraw/zinc/58/56/58/1177585658.db2.gz REJDSXHLZIUMEG-CABCVRRESA-N 0 3 310.482 3.151 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](F)c1ccccc1 ZINC001691661809 1177603883 /nfs/dbraw/zinc/60/38/83/1177603883.db2.gz YNRQJARWKQBLNY-DLBZAZTESA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001691670685 1177631884 /nfs/dbraw/zinc/63/18/84/1177631884.db2.gz SCHSQFUWDZLLDX-INIZCTEOSA-N 0 3 315.461 3.006 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccccc1OCC ZINC001691674676 1177671895 /nfs/dbraw/zinc/67/18/95/1177671895.db2.gz JRHULXLDOBHSOQ-INIZCTEOSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H](C)CCCCC)C2)C1 ZINC001671084684 1177773905 /nfs/dbraw/zinc/77/39/05/1177773905.db2.gz FRNYWMQGJWJLDD-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cccc(Cl)c2)[C@H]1C ZINC001691708626 1177850552 /nfs/dbraw/zinc/85/05/52/1177850552.db2.gz UBPSBYCSHNUDPV-CJNGLKHVSA-N 0 3 306.837 3.038 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001274622929 1177919399 /nfs/dbraw/zinc/91/93/99/1177919399.db2.gz HLQSIDBWRIFSFK-MAUKXSAKSA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001330898222 1178086958 /nfs/dbraw/zinc/08/69/58/1178086958.db2.gz GIHBAHUEDGDGHU-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCCNCc2cnoc2C)CC1 ZINC001330911370 1178089989 /nfs/dbraw/zinc/08/99/89/1178089989.db2.gz QJAZUUYZQSYSMX-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)[C@H](N)CCCC#N ZINC001330976035 1178103640 /nfs/dbraw/zinc/10/36/40/1178103640.db2.gz KHJCAIJUZFTEPH-DJIMGWMZSA-N 0 3 313.445 3.191 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nc(C)cc(C)c2c1 ZINC001331032742 1178118495 /nfs/dbraw/zinc/11/84/95/1178118495.db2.gz OPFAOISVDDUCJV-CQSZACIVSA-N 0 3 303.793 3.260 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(N(C)Cc2ocnc2C)CC1 ZINC001331054879 1178125493 /nfs/dbraw/zinc/12/54/93/1178125493.db2.gz XJWXBPJYYPKNTP-UHFFFAOYSA-N 0 3 319.449 3.008 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1ccc(C(C)C)nc1C ZINC001331408467 1178207099 /nfs/dbraw/zinc/20/70/99/1178207099.db2.gz ZVUWRGYUGVRNEA-OAHLLOKOSA-N 0 3 317.477 3.416 20 30 DGEDHN N#Cc1cc(NC(=O)c2ccc3c(c2)CNC3)ccc1C1CC1 ZINC001331423894 1178210188 /nfs/dbraw/zinc/21/01/88/1178210188.db2.gz BQQVADPSLIXWNF-UHFFFAOYSA-N 0 3 303.365 3.291 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc2c1CCCCC2 ZINC001331476036 1178223020 /nfs/dbraw/zinc/22/30/20/1178223020.db2.gz SDIZIKRNISPSLS-INIZCTEOSA-N 0 3 312.457 3.029 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1F ZINC001331542944 1178241434 /nfs/dbraw/zinc/24/14/34/1178241434.db2.gz JHNMKBVMZYCOLB-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001331600866 1178256082 /nfs/dbraw/zinc/25/60/82/1178256082.db2.gz QPEHROSZCPLMPY-PKOBYXMFSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)/C=C/C(C)(C)C ZINC001331871524 1178295435 /nfs/dbraw/zinc/29/54/35/1178295435.db2.gz ZSXRGOYYRRGXEP-DOFQKKIESA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001332029577 1178340640 /nfs/dbraw/zinc/34/06/40/1178340640.db2.gz RCAXCGXTUHQXSW-KGLIPLIRSA-N 0 3 317.458 3.055 20 30 DGEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CCC1(C)CC1 ZINC001332046950 1178343375 /nfs/dbraw/zinc/34/33/75/1178343375.db2.gz HWXKXNOXNQBMSW-HKUYNNGSSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NCc2cccnc2)C(C)(C)C1 ZINC001332414442 1178441353 /nfs/dbraw/zinc/44/13/53/1178441353.db2.gz XXXGERCXXWMBAM-WBVHZDCISA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@H]1CC[C@H](C)O1)C(C)C ZINC001332707225 1178478013 /nfs/dbraw/zinc/47/80/13/1178478013.db2.gz KGJJSVUYENDBEW-DLBZAZTESA-N 0 3 310.482 3.079 20 30 DGEDHN CC(C)C#CC(=O)N(CCN(C)CCc1cccs1)C(C)C ZINC001332708321 1178479349 /nfs/dbraw/zinc/47/93/49/1178479349.db2.gz XOMRLVGKEHTZRQ-UHFFFAOYSA-N 0 3 320.502 3.119 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(OC)c1F)C(C)C ZINC001332735612 1178486325 /nfs/dbraw/zinc/48/63/25/1178486325.db2.gz RIBMCXZRMUCOQH-UHFFFAOYSA-N 0 3 322.424 3.193 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](F)Cc1ccccc1)C(C)C ZINC001332740139 1178488756 /nfs/dbraw/zinc/48/87/56/1178488756.db2.gz BWOKSZXVXGKVTL-GOSISDBHSA-N 0 3 320.452 3.312 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001332838163 1178505379 /nfs/dbraw/zinc/50/53/79/1178505379.db2.gz PETVJOZCPZNPPX-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001332858276 1178508831 /nfs/dbraw/zinc/50/88/31/1178508831.db2.gz RAQGVJMEKSMBNS-RHSMWYFYSA-N 0 3 323.506 3.366 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC001332928810 1178524373 /nfs/dbraw/zinc/52/43/73/1178524373.db2.gz NDAUCXDVRNDNQG-IINYFYTJSA-N 0 3 311.788 3.068 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@](C)(F)CCCC)C1 ZINC001333088557 1178553712 /nfs/dbraw/zinc/55/37/12/1178553712.db2.gz GRNBJRYMWPHGBZ-PIMMBPRGSA-N 0 3 304.837 3.236 20 30 DGEDHN C[S@@](=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC001333310800 1178586207 /nfs/dbraw/zinc/58/62/07/1178586207.db2.gz IZOHXZYMVRAZPN-JOCHJYFZSA-N 0 3 312.438 3.321 20 30 DGEDHN C=CCN1CCC(Nc2ccc3cc(Cl)cnc3n2)CC1 ZINC001335434084 1178910167 /nfs/dbraw/zinc/91/01/67/1178910167.db2.gz UWITXMFIEANOMG-UHFFFAOYSA-N 0 3 302.809 3.346 20 30 DGEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@H](O)CC#N ZINC001335782541 1178954491 /nfs/dbraw/zinc/95/44/91/1178954491.db2.gz XUSQEYITUDFLGS-IINYFYTJSA-N 0 3 319.405 3.183 20 30 DGEDHN N#CC1CCC(CN2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001335821446 1178959975 /nfs/dbraw/zinc/95/99/75/1178959975.db2.gz NFGUMRYUZDDHPE-UHFFFAOYSA-N 0 3 302.340 3.160 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ncccc1C)C(C)(C)C ZINC001341525260 1179022565 /nfs/dbraw/zinc/02/25/65/1179022565.db2.gz DZEOLRXDHSQEID-TZMCWYRMSA-N 0 3 309.841 3.063 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC001341615678 1179039753 /nfs/dbraw/zinc/03/97/53/1179039753.db2.gz NMASVKOJMDBLIG-NSHDSACASA-N 0 3 302.205 3.198 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001341822054 1179067507 /nfs/dbraw/zinc/06/75/07/1179067507.db2.gz AFNZHSCPQAAQIA-GMMGAPQESA-N 0 3 305.381 3.042 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC001341871966 1179075201 /nfs/dbraw/zinc/07/52/01/1179075201.db2.gz RRZHEOACPKUUSY-GDBMZVCRSA-N 0 3 306.454 3.151 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC2(F)F)c1 ZINC001341940948 1179083080 /nfs/dbraw/zinc/08/30/80/1179083080.db2.gz VQIVQXKBZNSNJA-GXTWGEPZSA-N 0 3 320.339 3.468 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001342228607 1179119116 /nfs/dbraw/zinc/11/91/16/1179119116.db2.gz LPYXKYKBQLDFEX-HNNXBMFYSA-N 0 3 315.335 3.405 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)C[C@H](C)CC ZINC001343007209 1179223363 /nfs/dbraw/zinc/22/33/63/1179223363.db2.gz LERKDEQYMWLHKY-CVEARBPZSA-N 0 3 319.497 3.146 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC001343446046 1179276083 /nfs/dbraw/zinc/27/60/83/1179276083.db2.gz YZPYIHAULLRVGR-CRAIPNDOSA-N 0 3 315.461 3.148 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC001343592382 1179301180 /nfs/dbraw/zinc/30/11/80/1179301180.db2.gz IXVQZDRCQXQMNW-INIZCTEOSA-N 0 3 308.372 3.139 20 30 DGEDHN N#CC(C(=O)C1CC(F)(F)C1)c1nccn1Cc1ccccc1 ZINC001343704806 1179319393 /nfs/dbraw/zinc/31/93/93/1179319393.db2.gz MIKGNCQUTFXZAD-AWEZNQCLSA-N 0 3 315.323 3.153 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nccn1Cc1ccccc1 ZINC001343843502 1179336606 /nfs/dbraw/zinc/33/66/06/1179336606.db2.gz VLRKDXFILVSRIO-MELADBBJSA-N 0 3 315.323 3.009 20 30 DGEDHN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2cccc(F)n2)ccn1 ZINC001344025101 1179366461 /nfs/dbraw/zinc/36/64/61/1179366461.db2.gz YHAQEIRQUOJPBE-YPMHNXCESA-N 0 3 313.332 3.283 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC001344070861 1179373967 /nfs/dbraw/zinc/37/39/67/1179373967.db2.gz WYLHHABFSBXHSR-INIZCTEOSA-N 0 3 303.402 3.015 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(C)s1 ZINC001344875389 1179491057 /nfs/dbraw/zinc/49/10/57/1179491057.db2.gz RNZWDYHNNXAYAH-LBPRGKRZSA-N 0 3 315.398 3.112 20 30 DGEDHN CCOCCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001344985313 1179506532 /nfs/dbraw/zinc/50/65/32/1179506532.db2.gz VPCCZWYRMGMLQX-LBPRGKRZSA-N 0 3 308.328 3.133 20 30 DGEDHN CCn1ccnc1C(C#N)=C([O-])c1cc(Br)cs1 ZINC001345646062 1179586667 /nfs/dbraw/zinc/58/66/67/1179586667.db2.gz DSNAPOKOKOSGRD-SECBINFHSA-N 0 3 324.203 3.217 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(Br)cs1 ZINC001345646062 1179586672 /nfs/dbraw/zinc/58/66/72/1179586672.db2.gz DSNAPOKOKOSGRD-SECBINFHSA-N 0 3 324.203 3.217 20 30 DGEDHN C[C@@H]1[C@H](OC(=O)c2ccc(C#N)[nH]2)CCCN1Cc1ccccc1 ZINC001345776083 1179604833 /nfs/dbraw/zinc/60/48/33/1179604833.db2.gz MRLIGFQKWLBZPQ-RDTXWAMCSA-N 0 3 323.396 3.096 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001346095426 1179651565 /nfs/dbraw/zinc/65/15/65/1179651565.db2.gz DPCDGQGBZZNXEA-RKDXNWHRSA-N 0 3 301.724 3.075 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001346095423 1179651801 /nfs/dbraw/zinc/65/18/01/1179651801.db2.gz DPCDGQGBZZNXEA-BDAKNGLRSA-N 0 3 301.724 3.075 20 30 DGEDHN C=C(CC)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC001346128858 1179658612 /nfs/dbraw/zinc/65/86/12/1179658612.db2.gz PCZCVXCONWNQKT-KRWDZBQOSA-N 0 3 304.434 3.161 20 30 DGEDHN N#CC(C(=O)C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076484 1179774526 /nfs/dbraw/zinc/77/45/26/1179774526.db2.gz RZIKIRABSCSIEO-XZVRFQMRSA-N 0 3 317.348 3.414 20 30 DGEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137536 1179782901 /nfs/dbraw/zinc/78/29/01/1179782901.db2.gz OSHZLDBSGHQKJD-WYGGZMRJSA-N 0 3 301.708 3.159 20 30 DGEDHN C#Cc1ccc(NC2CCN([C@H](C)c3ccncc3)CC2)nc1 ZINC001348052909 1179828429 /nfs/dbraw/zinc/82/84/29/1179828429.db2.gz UNAWPYWXOCIRTL-OAHLLOKOSA-N 0 3 306.413 3.095 20 30 DGEDHN N#CCc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC001349314723 1179890386 /nfs/dbraw/zinc/89/03/86/1179890386.db2.gz WZWBDFQZWFCZBI-UHFFFAOYSA-N 0 3 301.393 3.466 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)CSC)CC1 ZINC001479991431 1179940243 /nfs/dbraw/zinc/94/02/43/1179940243.db2.gz JJLZTLDLEFLPAA-OAHLLOKOSA-N 0 3 312.523 3.265 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001602808341 1192998063 /nfs/dbraw/zinc/99/80/63/1192998063.db2.gz BIIRPYBHNIEVQS-LLVKDONJSA-N 0 3 303.385 3.259 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001602808341 1192998065 /nfs/dbraw/zinc/99/80/65/1192998065.db2.gz BIIRPYBHNIEVQS-LLVKDONJSA-N 0 3 303.385 3.259 20 30 DGEDHN C=CC[C@H]1CC[C@H]([NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001602824111 1192998639 /nfs/dbraw/zinc/99/86/39/1192998639.db2.gz NVCLUDGXRJSDBF-BBRMVZONSA-N 0 3 309.417 3.190 20 30 DGEDHN C=CC[C@H]1CC[C@H]([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001602824111 1192998642 /nfs/dbraw/zinc/99/86/42/1192998642.db2.gz NVCLUDGXRJSDBF-BBRMVZONSA-N 0 3 309.417 3.190 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602834362 1192999467 /nfs/dbraw/zinc/99/94/67/1192999467.db2.gz QXYXVSIWXYGZMX-CXAGYDPISA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602834362 1192999469 /nfs/dbraw/zinc/99/94/69/1192999469.db2.gz QXYXVSIWXYGZMX-CXAGYDPISA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001480323354 1180367467 /nfs/dbraw/zinc/36/74/67/1180367467.db2.gz JRGRFHODQSINBJ-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1nnc(C(F)F)s1 ZINC001353212175 1180496238 /nfs/dbraw/zinc/49/62/38/1180496238.db2.gz PJYQBVCPORGKEI-SECBINFHSA-N 0 3 320.409 3.492 20 30 DGEDHN CC(C)C#CC(=O)NCC1CC(N[C@H](C)c2ccccc2F)C1 ZINC001100304622 1180552428 /nfs/dbraw/zinc/55/24/28/1180552428.db2.gz FSNAGBLFDJQQQO-QQFBHYJXSA-N 0 3 316.420 3.031 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100370823 1180623942 /nfs/dbraw/zinc/62/39/42/1180623942.db2.gz BMSXLFGWOQUVCS-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H]1CCCc2nc(CC)sc21 ZINC001353747939 1180640679 /nfs/dbraw/zinc/64/06/79/1180640679.db2.gz ARKPQIYLXQSDFF-OCCSQVGLSA-N 0 3 321.490 3.225 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001100464586 1180709850 /nfs/dbraw/zinc/70/98/50/1180709850.db2.gz CDQUDGNHQLUMQM-DNOWBOINSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001100498645 1180737642 /nfs/dbraw/zinc/73/76/42/1180737642.db2.gz ZLIPAPIQLHNDMP-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001100521312 1180759389 /nfs/dbraw/zinc/75/93/89/1180759389.db2.gz YGWQBFAHRMPBOR-UHFFFAOYSA-N 0 3 322.827 3.295 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001354381102 1180782233 /nfs/dbraw/zinc/78/22/33/1180782233.db2.gz LVSVIBNVZXCALG-YOEHRIQHSA-N 0 3 322.399 3.354 20 30 DGEDHN CC(C)=C(C)CC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100576111 1180808650 /nfs/dbraw/zinc/80/86/50/1180808650.db2.gz MUHBOTCXQOORTJ-UHFFFAOYSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100596158 1180836618 /nfs/dbraw/zinc/83/66/18/1180836618.db2.gz MNHOZNBSHSNRGP-UQPPLGOBSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001100714527 1180958526 /nfs/dbraw/zinc/95/85/26/1180958526.db2.gz SIWTXBLYIIBOIX-UQPPLGOBSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](c2ccccc2)CC1(C)C ZINC001355134675 1180993849 /nfs/dbraw/zinc/99/38/49/1180993849.db2.gz OZSRFBBSLSPSOC-HUUCEWRRSA-N 0 3 306.837 3.251 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC001355837403 1181102068 /nfs/dbraw/zinc/10/20/68/1181102068.db2.gz QHPVDTDRKYBBII-UHFFFAOYSA-N 0 3 300.446 3.323 20 30 DGEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)C(C#N)c1cccc(F)n1 ZINC001357599673 1181412555 /nfs/dbraw/zinc/41/25/55/1181412555.db2.gz ZDFAEUSZIBZLDW-AWEZNQCLSA-N 0 3 323.327 3.126 20 30 DGEDHN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2cccc(F)n2)nc1 ZINC001357660961 1181416924 /nfs/dbraw/zinc/41/69/24/1181416924.db2.gz CKKMFSWDVDCUAG-GFCCVEGCSA-N 0 3 313.332 3.283 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001091162584 1181600829 /nfs/dbraw/zinc/60/08/29/1181600829.db2.gz PESFSKXIWVLXOI-WXRRBKDZSA-N 0 3 320.811 3.049 20 30 DGEDHN Cc1nc(N[C@@H](C)CN2CCC(C)CC2)c(Cl)cc1C#N ZINC001652044389 1195540031 /nfs/dbraw/zinc/54/00/31/1195540031.db2.gz WPISKPSZPFEQOY-LBPRGKRZSA-N 0 3 306.841 3.447 20 30 DGEDHN CCCc1ccc(CN(CC)CCNC(=O)C#CC(C)C)cc1 ZINC001492950734 1181747459 /nfs/dbraw/zinc/74/74/59/1181747459.db2.gz CHSUWNHBDBXERY-UHFFFAOYSA-N 0 3 314.473 3.237 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC001574851584 1181756400 /nfs/dbraw/zinc/75/64/00/1181756400.db2.gz HWWJUKGVXWZQGN-GFCCVEGCSA-N 0 3 301.217 3.161 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001455295970 1182365774 /nfs/dbraw/zinc/36/57/74/1182365774.db2.gz QINTZZAZCYKOPR-IBGZPJMESA-N 0 3 312.457 3.159 20 30 DGEDHN N#Cc1ccc(N2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c(Cl)c1 ZINC001460024222 1182641943 /nfs/dbraw/zinc/64/19/43/1182641943.db2.gz GISMWNREHUXMSR-MUJYYYPQSA-N 0 3 315.848 3.380 20 30 DGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CCOCc1ccccc1 ZINC001460076938 1182648711 /nfs/dbraw/zinc/64/87/11/1182648711.db2.gz XEZKJVMZGZKEDK-NRFANRHFSA-N 0 3 323.436 3.090 20 30 DGEDHN CO[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1(C)C ZINC001460123526 1182654237 /nfs/dbraw/zinc/65/42/37/1182654237.db2.gz PUZNJGWNASUTBZ-CABCVRRESA-N 0 3 311.347 3.460 20 30 DGEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001460362677 1182683225 /nfs/dbraw/zinc/68/32/25/1182683225.db2.gz NSZDQXHDLBYXGE-RHSMWYFYSA-N 0 3 302.393 3.219 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC001460484518 1182690165 /nfs/dbraw/zinc/69/01/65/1182690165.db2.gz MXHGPWBLFSIFMW-RBUKOAKNSA-N 0 3 307.397 3.118 20 30 DGEDHN C=CCC[C@H]1CCCN1CCS(=O)(=O)Cc1ccccc1 ZINC001460887435 1182735406 /nfs/dbraw/zinc/73/54/06/1182735406.db2.gz SMHKZSWMOMEFQD-KRWDZBQOSA-N 0 3 307.459 3.032 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(OCC)cc1 ZINC001460886557 1182735922 /nfs/dbraw/zinc/73/59/22/1182735922.db2.gz NHNOXFIDRAETCZ-MRXNPFEDSA-N 0 3 302.418 3.454 20 30 DGEDHN C=C(CNCc1cc2ccccc2n(C)c1=O)c1ccccc1 ZINC001461154845 1182775236 /nfs/dbraw/zinc/77/52/36/1182775236.db2.gz PGFWCQRKEMEDSU-UHFFFAOYSA-N 0 3 304.393 3.342 20 30 DGEDHN CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC001462406284 1182948203 /nfs/dbraw/zinc/94/82/03/1182948203.db2.gz RTRPWHIATDMOON-RVKKMQEKSA-N 0 3 318.461 3.347 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cs1 ZINC001462596355 1182973708 /nfs/dbraw/zinc/97/37/08/1182973708.db2.gz PXUNDPUZMUVUTG-MRXNPFEDSA-N 0 3 312.442 3.400 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)NCCN(C)Cc1ccccc1 ZINC001468238090 1183318942 /nfs/dbraw/zinc/31/89/42/1183318942.db2.gz YTRJXOKEFQOQPW-UHFFFAOYSA-N 0 3 317.477 3.410 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1cnccc1NC(CC)CC)OCC ZINC001468498103 1183338978 /nfs/dbraw/zinc/33/89/78/1183338978.db2.gz KDKLQBCSZFTERS-KRWDZBQOSA-N 0 3 319.449 3.414 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H](CCC)CC1CCCCC1 ZINC001468546627 1183341877 /nfs/dbraw/zinc/34/18/77/1183341877.db2.gz XGMUPSPXLVEFGE-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC)C1 ZINC001470131604 1183463406 /nfs/dbraw/zinc/46/34/06/1183463406.db2.gz FAGNCNBBAOJNMR-INIZCTEOSA-N 0 3 321.852 3.304 20 30 DGEDHN Cc1ccc(C#N)c(N2CCN[C@H](c3ccc(Cl)cc3)C2)n1 ZINC001472905869 1183698859 /nfs/dbraw/zinc/69/88/59/1183698859.db2.gz NZHNXKUXRVUMES-INIZCTEOSA-N 0 3 312.804 3.066 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC001473238725 1183733734 /nfs/dbraw/zinc/73/37/34/1183733734.db2.gz MGDQVOHVXRVXHA-HZPDHXFCSA-N 0 3 316.445 3.382 20 30 DGEDHN Cn1cc([C@H](NCCc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC001473377191 1183749929 /nfs/dbraw/zinc/74/99/29/1183749929.db2.gz NZFKFHWOXIPVBO-HXUWFJFHSA-N 0 3 316.408 3.213 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@H](C4CCCC4)C3)C2=O)cc1 ZINC001473567830 1183775549 /nfs/dbraw/zinc/77/55/49/1183775549.db2.gz ZCGXOJCAZRSTBG-HKUYNNGSSA-N 0 3 323.440 3.176 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC001473627416 1183782724 /nfs/dbraw/zinc/78/27/24/1183782724.db2.gz JVIGJJDSKQHDAL-OAHLLOKOSA-N 0 3 306.837 3.244 20 30 DGEDHN C#CC[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001473788709 1183802857 /nfs/dbraw/zinc/80/28/57/1183802857.db2.gz SJAOGTHTFDQTRG-HNNXBMFYSA-N 0 3 307.315 3.282 20 30 DGEDHN C=CCCCCCN1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC001473818958 1183807185 /nfs/dbraw/zinc/80/71/85/1183807185.db2.gz CEBCUKJEEADVBF-UHFFFAOYSA-N 0 3 314.433 3.137 20 30 DGEDHN CO[C@H]1C[C@H](N(C)Cc2cc(C#N)ccc2N(C)C)C12CCC2 ZINC001474525962 1183934541 /nfs/dbraw/zinc/93/45/41/1183934541.db2.gz IJFWCQIGQZLHEU-ROUUACIJSA-N 0 3 313.445 3.014 20 30 DGEDHN Cc1csc(NC(=O)NCCN2CCCC(C)(C)C2)c1C#N ZINC001476558632 1184043296 /nfs/dbraw/zinc/04/32/96/1184043296.db2.gz FZHPNJKIIXRNFF-UHFFFAOYSA-N 0 3 320.462 3.172 20 30 DGEDHN C=CCCC1(CNC(=O)N(CCN(C)C)C(C)C)CCCC1 ZINC001478965998 1184191146 /nfs/dbraw/zinc/19/11/46/1184191146.db2.gz JCIJMWSQXPWICY-UHFFFAOYSA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001479248434 1184215740 /nfs/dbraw/zinc/21/57/40/1184215740.db2.gz AIOIKZATHNCYFV-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001479247280 1184216643 /nfs/dbraw/zinc/21/66/43/1184216643.db2.gz YOSTYBYQYQIACQ-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001479247279 1184217248 /nfs/dbraw/zinc/21/72/48/1184217248.db2.gz YOSTYBYQYQIACQ-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001479252574 1184219169 /nfs/dbraw/zinc/21/91/69/1184219169.db2.gz NGVMOCPOCFWBLU-JKSUJKDBSA-N 0 3 304.434 3.190 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2ccccc2C)C1 ZINC001479400672 1184245577 /nfs/dbraw/zinc/24/55/77/1184245577.db2.gz HEYYVZQIUQULLM-JCNLHEQBSA-N 0 3 320.864 3.165 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001479425582 1184251064 /nfs/dbraw/zinc/25/10/64/1184251064.db2.gz QAJTVCXYMHFHQX-ZVDOUQERSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001479460565 1184255662 /nfs/dbraw/zinc/25/56/62/1184255662.db2.gz OEEYNUVGCDGPHX-HZSPNIEDSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)F)C1 ZINC001479616605 1184276656 /nfs/dbraw/zinc/27/66/56/1184276656.db2.gz HADCJFPIEYGUIH-HZPDHXFCSA-N 0 3 322.399 3.192 20 30 DGEDHN C=CCCC(=O)N1CCc2sc(CNC[C@@H](C)CC)nc2C1 ZINC001479741135 1184308910 /nfs/dbraw/zinc/30/89/10/1184308910.db2.gz NQJZIJBWZCDWKR-ZDUSSCGKSA-N 0 3 321.490 3.130 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](CCC)C(C)C)CC(C)(C)C1 ZINC001479743869 1184309582 /nfs/dbraw/zinc/30/95/82/1184309582.db2.gz AWEKVFXTWKNPSH-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cccc(C2CCCC2)c1 ZINC001479809134 1184334284 /nfs/dbraw/zinc/33/42/84/1184334284.db2.gz SEVDCDNXYNPUAZ-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN CC/C(C)=C/C(=O)NCCCN(CC)Cc1ccc(C#N)s1 ZINC001479843115 1184345709 /nfs/dbraw/zinc/34/57/09/1184345709.db2.gz OUCZCSPZSQAWJL-SDNWHVSQSA-N 0 3 319.474 3.304 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001479900559 1184370974 /nfs/dbraw/zinc/37/09/74/1184370974.db2.gz UCNWNKPASJVRGJ-MRXNPFEDSA-N 0 3 320.481 3.191 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001479911775 1184378821 /nfs/dbraw/zinc/37/88/21/1184378821.db2.gz PRVWXULTEYKRCP-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001479911886 1184379968 /nfs/dbraw/zinc/37/99/68/1184379968.db2.gz UAFFWIBJLOIONL-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001479950849 1184385365 /nfs/dbraw/zinc/38/53/65/1184385365.db2.gz LWKBXURJESYOSC-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001479962907 1184394935 /nfs/dbraw/zinc/39/49/35/1184394935.db2.gz DXZCFAIJVIVRSW-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001479986135 1184403868 /nfs/dbraw/zinc/40/38/68/1184403868.db2.gz FBMMOIQBTWANQZ-SJORKVTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001479989287 1184404362 /nfs/dbraw/zinc/40/43/62/1184404362.db2.gz QSCXGVRUVPZJNV-HUUCEWRRSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001480094855 1184433431 /nfs/dbraw/zinc/43/34/31/1184433431.db2.gz SIWCAGZNRPNIOR-BBWFWOEESA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCCC1 ZINC001480099034 1184434662 /nfs/dbraw/zinc/43/46/62/1184434662.db2.gz RYBKPJICASQHIQ-KURKYZTESA-N 0 3 302.462 3.374 20 30 DGEDHN O=C(C[C@H]1C=CCCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480144335 1184444349 /nfs/dbraw/zinc/44/43/49/1184444349.db2.gz GMMCBLMXFBGBON-UFYCRDLUSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001480206009 1184459618 /nfs/dbraw/zinc/45/96/18/1184459618.db2.gz QPFFITBPYFRLLK-PHIMTYICSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)CCC1 ZINC001480221704 1184462794 /nfs/dbraw/zinc/46/27/94/1184462794.db2.gz FRLSYRMKJZUIOU-IYBDPMFKSA-N 0 3 316.420 3.309 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001480318441 1184489939 /nfs/dbraw/zinc/48/99/39/1184489939.db2.gz ICHHQLCTMABXLF-OVKVCFKUSA-N 0 3 312.457 3.332 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001480333176 1184495215 /nfs/dbraw/zinc/49/52/15/1184495215.db2.gz WGBCROCZBMQRKM-QGZVFWFLSA-N 0 3 304.478 3.360 20 30 DGEDHN O=C(C1=CCCC1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001480343463 1184499408 /nfs/dbraw/zinc/49/94/08/1184499408.db2.gz AFOKQVUQTGWANF-FQEVSTJZSA-N 0 3 322.452 3.119 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CSC(C)C ZINC001480370714 1184509225 /nfs/dbraw/zinc/50/92/25/1184509225.db2.gz VWJWAYPHFCRAMO-HOTGVXAUSA-N 0 3 310.507 3.160 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCC2CCCC2)C1 ZINC001480385183 1184516392 /nfs/dbraw/zinc/51/63/92/1184516392.db2.gz BISYVQZNXXXCJB-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001480403043 1184523822 /nfs/dbraw/zinc/52/38/22/1184523822.db2.gz NGFXFDAYBWHBTE-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001480408169 1184524216 /nfs/dbraw/zinc/52/42/16/1184524216.db2.gz NWWGEBYWJHWWGR-JMLCCBQJSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001480517119 1184541393 /nfs/dbraw/zinc/54/13/93/1184541393.db2.gz AZAZBYJERNARGS-GFCCVEGCSA-N 0 3 312.866 3.189 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001480543194 1184546091 /nfs/dbraw/zinc/54/60/91/1184546091.db2.gz IJYXXRBEWPYYOK-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001480615412 1184558652 /nfs/dbraw/zinc/55/86/52/1184558652.db2.gz LFJPPWWRYRDNEL-INIZCTEOSA-N 0 3 312.413 3.480 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001480644166 1184566094 /nfs/dbraw/zinc/56/60/94/1184566094.db2.gz RBPXCSCIEIAARE-BPLGCGBFSA-N 0 3 305.249 3.100 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC001480740603 1184595439 /nfs/dbraw/zinc/59/54/39/1184595439.db2.gz AZHVCJRQLPTMNC-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C(C)C)cn1 ZINC001480790276 1184608914 /nfs/dbraw/zinc/60/89/14/1184608914.db2.gz LRMNUIZMNNSJAO-CYBMUJFWSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C(C)C)nc1C ZINC001480793226 1184610482 /nfs/dbraw/zinc/61/04/82/1184610482.db2.gz ZTNBAUOBMONMCE-CYBMUJFWSA-N 0 3 323.868 3.364 20 30 DGEDHN CC(C)c1ccc(CN2CCC[C@H]2CNC(=O)[C@H](C)C#N)cc1 ZINC001493087880 1184646775 /nfs/dbraw/zinc/64/67/75/1184646775.db2.gz RUUYKQDIUBMCIR-QAPCUYQASA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)CCC1 ZINC001493234102 1184671419 /nfs/dbraw/zinc/67/14/19/1184671419.db2.gz QJEKDBUJVLREPH-OAHLLOKOSA-N 0 3 318.486 3.433 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1cccc(C)c1)C1CC1 ZINC001493418017 1184703149 /nfs/dbraw/zinc/70/31/49/1184703149.db2.gz LDBMMJOFLVVKEG-MRXNPFEDSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@@H]1CCc2ccccc21)C1CC1 ZINC001493428926 1184704961 /nfs/dbraw/zinc/70/49/61/1184704961.db2.gz YHWPHUNPDKEYET-KRWDZBQOSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001493441346 1184707326 /nfs/dbraw/zinc/70/73/26/1184707326.db2.gz VULSEQGLDIFLAS-UHFFFAOYSA-N 0 3 312.335 3.086 20 30 DGEDHN CCC[C@@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)C(C)C ZINC001493714186 1184728579 /nfs/dbraw/zinc/72/85/79/1184728579.db2.gz RGAXEPGWQUCSFX-GOSISDBHSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cnccc1C)c1ccccc1 ZINC001493887619 1184758278 /nfs/dbraw/zinc/75/82/78/1184758278.db2.gz SOAJUUBQJQZAPU-SFHVURJKSA-N 0 3 309.413 3.027 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C[C@@H]1CC=CCC1)c1ccccc1 ZINC001493898712 1184760909 /nfs/dbraw/zinc/76/09/09/1184760909.db2.gz UUJAXDNLVJUGPU-MJGOQNOKSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001494600054 1184893301 /nfs/dbraw/zinc/89/33/01/1184893301.db2.gz KKYIMBQDXSLEHM-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1Cl ZINC001494649996 1184901007 /nfs/dbraw/zinc/90/10/07/1184901007.db2.gz KMMUCSVGRLOSGE-AGIUHOORSA-N 0 3 308.809 3.186 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccsc1 ZINC001494659109 1184901811 /nfs/dbraw/zinc/90/18/11/1184901811.db2.gz XQUHKWQAXOSXOV-IRXDYDNUSA-N 0 3 318.486 3.322 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(F)(F)F ZINC001494666636 1184902645 /nfs/dbraw/zinc/90/26/45/1184902645.db2.gz RDKYVUSPYMLPEY-RDBSUJKOSA-N 0 3 320.399 3.440 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001494866695 1184948586 /nfs/dbraw/zinc/94/85/86/1184948586.db2.gz BKGDYECAIZPSJM-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccccc1F ZINC001495050472 1184987742 /nfs/dbraw/zinc/98/77/42/1184987742.db2.gz ORUPSBRTYCEICS-QAPCUYQASA-N 0 3 306.425 3.412 20 30 DGEDHN CCCC(=O)NC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC001495116876 1184999471 /nfs/dbraw/zinc/99/94/71/1184999471.db2.gz YVBQLQANUBOBEO-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C(F)=C1CCCC1)C1CC1 ZINC001495237464 1185016488 /nfs/dbraw/zinc/01/64/88/1185016488.db2.gz AAZDIWZHDGKQCD-INIZCTEOSA-N 0 3 314.832 3.411 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cc[nH]c2)CCCC[C@H]1C ZINC001495318713 1185028974 /nfs/dbraw/zinc/02/89/74/1185028974.db2.gz OBBDTRNNGXAPIS-WBMJQRKESA-N 0 3 309.841 3.036 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC[C@@H](C)CC)cc1 ZINC001495496063 1185064558 /nfs/dbraw/zinc/06/45/58/1185064558.db2.gz KENLLXFMVSIEPJ-INIZCTEOSA-N 0 3 300.446 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1 ZINC001495496047 1185064741 /nfs/dbraw/zinc/06/47/41/1185064741.db2.gz WSFKNINWGOFXKB-RTBURBONSA-N 0 3 312.457 3.098 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H]2CNC[C@H](F)CC)CCCCC1 ZINC001495596339 1185078122 /nfs/dbraw/zinc/07/81/22/1185078122.db2.gz IVELNBVDYREIMY-IAGOWNOFSA-N 0 3 322.468 3.289 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001495724395 1185094522 /nfs/dbraw/zinc/09/45/22/1185094522.db2.gz YHXLALDOIOJVPU-AWEZNQCLSA-N 0 3 322.399 3.000 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccccc2F)CCCC1 ZINC001495956365 1185117643 /nfs/dbraw/zinc/11/76/43/1185117643.db2.gz JRFRMFRIIWTFLF-UHFFFAOYSA-N 0 3 324.827 3.139 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C1CC2(CCC2)C1 ZINC001496139288 1185139540 /nfs/dbraw/zinc/13/95/40/1185139540.db2.gz OEYUNUCAOSTITK-QGZVFWFLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(OCC(C)C)cc1 ZINC001496831090 1185254567 /nfs/dbraw/zinc/25/45/67/1185254567.db2.gz FAYHQFJEQPEDLC-UHFFFAOYSA-N 0 3 318.461 3.301 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001496846340 1185257541 /nfs/dbraw/zinc/25/75/41/1185257541.db2.gz GOMSBIFSFDHSAB-CQSZACIVSA-N 0 3 308.853 3.095 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H]3[C@H](CCN3CCF)C2)CCCC1 ZINC001496867053 1185260580 /nfs/dbraw/zinc/26/05/80/1185260580.db2.gz DBLWQEUMNZOPFH-CVEARBPZSA-N 0 3 308.441 3.015 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(F)cc2ccoc21 ZINC001497220881 1185298904 /nfs/dbraw/zinc/29/89/04/1185298904.db2.gz NZVTYIZWTPMADS-LLVKDONJSA-N 0 3 324.783 3.422 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC001497281342 1185308865 /nfs/dbraw/zinc/30/88/65/1185308865.db2.gz CQFOXJAWGVXVGS-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001497423099 1185330901 /nfs/dbraw/zinc/33/09/01/1185330901.db2.gz FXGFVLSCGYTGBD-MOPGFXCFSA-N 0 3 312.457 3.032 20 30 DGEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)C(C)(C)CC ZINC001497446782 1185334906 /nfs/dbraw/zinc/33/49/06/1185334906.db2.gz GANBMXNWSAZBQY-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1ccc(Cl)nc1 ZINC001497447025 1185335193 /nfs/dbraw/zinc/33/51/93/1185335193.db2.gz FCHRXMJLOSQQRD-QGZVFWFLSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1sc(C)nc1C ZINC001497655123 1185369801 /nfs/dbraw/zinc/36/98/01/1185369801.db2.gz CKTJRLURTOUZMB-BQYQJAHWSA-N 0 3 321.490 3.124 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1sc(C)nc1C ZINC001497655125 1185370494 /nfs/dbraw/zinc/37/04/94/1185370494.db2.gz CKTJRLURTOUZMB-FPLPWBNLSA-N 0 3 321.490 3.124 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2ccc(F)cc2C)C1 ZINC001497673115 1185374300 /nfs/dbraw/zinc/37/43/00/1185374300.db2.gz LNPUHPBBDRHNBE-PLNGDYQASA-N 0 3 316.420 3.252 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001498097545 1185435600 /nfs/dbraw/zinc/43/56/00/1185435600.db2.gz BFLCRNDHHCQPAT-HNNXBMFYSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001498399608 1185488184 /nfs/dbraw/zinc/48/81/84/1185488184.db2.gz MYWASRBAKMKXLX-KBPBESRZSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1oc2ccccc2c1CC ZINC001498463932 1185501140 /nfs/dbraw/zinc/50/11/40/1185501140.db2.gz GDNHKGPQGUEWHT-CYBMUJFWSA-N 0 3 300.402 3.231 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2c(C)cccn2c1 ZINC001498637023 1185527049 /nfs/dbraw/zinc/52/70/49/1185527049.db2.gz MFYZFNXKFBULMT-UHFFFAOYSA-N 0 3 319.836 3.052 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001498815960 1185550801 /nfs/dbraw/zinc/55/08/01/1185550801.db2.gz FOXPBJRQCUTGNZ-CTNGQTDRSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001498966856 1185582559 /nfs/dbraw/zinc/58/25/59/1185582559.db2.gz GGFDSUJTLCMENE-IEBWSBKVSA-N 0 3 310.441 3.058 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001498978003 1185585394 /nfs/dbraw/zinc/58/53/94/1185585394.db2.gz VOAGKGMOORWZDU-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001499063407 1185603433 /nfs/dbraw/zinc/60/34/33/1185603433.db2.gz PJEMCEUWYSIZKO-LSDHHAIUSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001499094695 1185610188 /nfs/dbraw/zinc/61/01/88/1185610188.db2.gz YPJUXVMNFCWNQL-OAHLLOKOSA-N 0 3 304.434 3.482 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001499137659 1185618338 /nfs/dbraw/zinc/61/83/38/1185618338.db2.gz QJUHWKGMWXNCAC-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001499616544 1185678991 /nfs/dbraw/zinc/67/89/91/1185678991.db2.gz QDYBDTAHMFHBFW-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC001500002906 1185730090 /nfs/dbraw/zinc/73/00/90/1185730090.db2.gz NUASIMVZBVYLLX-KRWDZBQOSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001500013298 1185730981 /nfs/dbraw/zinc/73/09/81/1185730981.db2.gz UGTRTZXEXHLWHL-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@H](F)C1)C1CCN(CC(=C)C)CC1 ZINC001500037300 1185732773 /nfs/dbraw/zinc/73/27/73/1185732773.db2.gz DVOFYHGZJJVLIT-IRXDYDNUSA-N 0 3 320.452 3.017 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC12CCC2)C1CCN(CC=C(C)C)CC1 ZINC001500052009 1185735297 /nfs/dbraw/zinc/73/52/97/1185735297.db2.gz PFZCNOIVUXHGSD-GOSISDBHSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC12CCC2)C1CCN(CC=C(C)C)CC1 ZINC001500052010 1185735356 /nfs/dbraw/zinc/73/53/56/1185735356.db2.gz PFZCNOIVUXHGSD-SFHVURJKSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN(C(=O)c1ccc(F)s1)C1CCN(CC(=C)C)CC1 ZINC001500060060 1185736601 /nfs/dbraw/zinc/73/66/01/1185736601.db2.gz LNPRNOLJRMRQGZ-UHFFFAOYSA-N 0 3 320.433 3.003 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001500264980 1185766719 /nfs/dbraw/zinc/76/67/19/1185766719.db2.gz ONXJWSPKMMKVAH-UYAOXDASSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCC(=O)N1CC[C@](C)(CNCc2ccncc2Cl)C1 ZINC001500324104 1185774650 /nfs/dbraw/zinc/77/46/50/1185774650.db2.gz FJNBRFJPBDKRJJ-QGZVFWFLSA-N 0 3 321.852 3.029 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001500543033 1185819557 /nfs/dbraw/zinc/81/95/57/1185819557.db2.gz QEANZQZBZBCICD-HNNXBMFYSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001500547100 1185820719 /nfs/dbraw/zinc/82/07/19/1185820719.db2.gz OAUWYBRACVBNTF-LJQANCHMSA-N 0 3 300.446 3.321 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H](C)CCC)C2)CC1 ZINC001501016564 1185855702 /nfs/dbraw/zinc/85/57/02/1185855702.db2.gz YGMMUROUWNLYFL-FUHWJXTLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CCNCc2cccc(F)c2F)C1 ZINC001501543989 1185906692 /nfs/dbraw/zinc/90/66/92/1185906692.db2.gz CQRKMEKTFAPGAE-AWEZNQCLSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001501603925 1185911332 /nfs/dbraw/zinc/91/13/32/1185911332.db2.gz HTHIREPVSSBGOS-JKSUJKDBSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001501632155 1185914683 /nfs/dbraw/zinc/91/46/83/1185914683.db2.gz LRIWARVQWWCFAX-ZFWWWQNUSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccoc2CCC)C1 ZINC001501638444 1185914767 /nfs/dbraw/zinc/91/47/67/1185914767.db2.gz WRFXPXNCDJDFBA-AWEZNQCLSA-N 0 3 324.852 3.426 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)oc2C)cc1 ZINC001501673480 1185920015 /nfs/dbraw/zinc/92/00/15/1185920015.db2.gz PQARYYNCORKCEP-AWEZNQCLSA-N 0 3 310.397 3.110 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C(\C)C2CC2)cc1 ZINC001501673284 1185920271 /nfs/dbraw/zinc/92/02/71/1185920271.db2.gz NXPRDLLGRYOZFF-QJPKHSJYSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)C2CCCC2)cc1 ZINC001501682059 1185921749 /nfs/dbraw/zinc/92/17/49/1185921749.db2.gz WVMJEYIQCQFYDT-HOTGVXAUSA-N 0 3 312.457 3.413 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](CC)C(C)(C)C)C2)CC1 ZINC001501746897 1185928782 /nfs/dbraw/zinc/92/87/82/1185928782.db2.gz VUDXCTYVDFNLEX-QGZVFWFLSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](CC)C(C)(C)C)C2)CC1 ZINC001501746896 1185929070 /nfs/dbraw/zinc/92/90/70/1185929070.db2.gz VUDXCTYVDFNLEX-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CC2(c3ccccc3)CC2)CC1 ZINC001502125620 1185957271 /nfs/dbraw/zinc/95/72/71/1185957271.db2.gz HCEAHWUITTYJPY-LJQANCHMSA-N 0 3 324.468 3.102 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001502161690 1185965732 /nfs/dbraw/zinc/96/57/32/1185965732.db2.gz NWEIRUKQXFKEOI-OAHLLOKOSA-N 0 3 304.434 3.141 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001502161690 1185965736 /nfs/dbraw/zinc/96/57/36/1185965736.db2.gz NWEIRUKQXFKEOI-OAHLLOKOSA-N 0 3 304.434 3.141 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001502383308 1185977842 /nfs/dbraw/zinc/97/78/42/1185977842.db2.gz LQNYBAMTQMLLMK-UHFFFAOYSA-N 0 3 308.372 3.041 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(Cl)c2occc21 ZINC001502390988 1185979224 /nfs/dbraw/zinc/97/92/24/1185979224.db2.gz XQFJEOAUALJRGP-UHFFFAOYSA-N 0 3 318.804 3.113 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CCC(=C)C ZINC001502532598 1185992507 /nfs/dbraw/zinc/99/25/07/1185992507.db2.gz UKQJLOLKRJOOOL-IBGZPJMESA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3cc[nH]c3)cc2C1 ZINC001502648187 1185998960 /nfs/dbraw/zinc/99/89/60/1185998960.db2.gz HWCPADOFFVEIGT-UHFFFAOYSA-N 0 3 309.413 3.227 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccsc1Cl ZINC001503502954 1186046733 /nfs/dbraw/zinc/04/67/33/1186046733.db2.gz MUWDXLQBWSPXSM-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2=CCCC2)CC1 ZINC001505395467 1186065424 /nfs/dbraw/zinc/06/54/24/1186065424.db2.gz MXAQPYSNFLCMNI-UHFFFAOYSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1F ZINC001505437083 1186079646 /nfs/dbraw/zinc/07/96/46/1186079646.db2.gz KTLIZNGLTQMOIK-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1oc2ccccc2c1C ZINC001505459752 1186088641 /nfs/dbraw/zinc/08/86/41/1186088641.db2.gz XMMXPDVLXKNFKH-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN CCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001505562758 1186104669 /nfs/dbraw/zinc/10/46/69/1186104669.db2.gz SLGMVXBOZIQBBD-LSDHHAIUSA-N 0 3 320.864 3.365 20 30 DGEDHN CC(C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1)=C1CCCC1 ZINC001505585081 1186108292 /nfs/dbraw/zinc/10/82/92/1186108292.db2.gz JOIAKVFBOPQXJS-QZTJIDSGSA-N 0 3 324.468 3.411 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC001505910596 1186162304 /nfs/dbraw/zinc/16/23/04/1186162304.db2.gz WGOWPMLIPAJCOQ-CQSZACIVSA-N 0 3 322.399 3.364 20 30 DGEDHN C[C@H](CNC(=O)[C@@H](C)C(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001505946714 1186168498 /nfs/dbraw/zinc/16/84/98/1186168498.db2.gz TUOQBZKSDFPUPK-HUUCEWRRSA-N 0 3 315.461 3.177 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC001505976034 1186172623 /nfs/dbraw/zinc/17/26/23/1186172623.db2.gz DLOPZGMKTGOFHJ-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001506061260 1186191970 /nfs/dbraw/zinc/19/19/70/1186191970.db2.gz RSHASSCBGKAHDS-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](CC)CCCCC)C(C)(C)C1 ZINC001506752147 1186288050 /nfs/dbraw/zinc/28/80/50/1186288050.db2.gz HEGZTMKRMXZGKA-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001506895652 1186306302 /nfs/dbraw/zinc/30/63/02/1186306302.db2.gz AWEUYNWCOFRMCX-CKEIUWERSA-N 0 3 321.490 3.038 20 30 DGEDHN CCCCC(=O)N(C)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001507001437 1186337932 /nfs/dbraw/zinc/33/79/32/1186337932.db2.gz UFJPXBIMWITMNS-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1cc(F)ccc1F)C1CC1 ZINC001507003512 1186339193 /nfs/dbraw/zinc/33/91/93/1186339193.db2.gz VLQPGBVLARBERU-QGZVFWFLSA-N 0 3 322.399 3.258 20 30 DGEDHN C[C@@H](CN(C)C(=O)C1=CCCCCC1)NCC#Cc1ccccc1 ZINC001507068745 1186353954 /nfs/dbraw/zinc/35/39/54/1186353954.db2.gz SGFWVFROTJANQK-SFHVURJKSA-N 0 3 324.468 3.365 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001507077510 1186355832 /nfs/dbraw/zinc/35/58/32/1186355832.db2.gz PKURULICSNXECQ-QGZVFWFLSA-N 0 3 314.473 3.301 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1c(Cl)oc2ccccc21 ZINC001507113930 1186364280 /nfs/dbraw/zinc/36/42/80/1186364280.db2.gz QUJSCZFPHKKSNZ-LBPRGKRZSA-N 0 3 318.804 3.160 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2cc(C)ns2)CC1 ZINC001507119889 1186365260 /nfs/dbraw/zinc/36/52/60/1186365260.db2.gz WAUCOPSDBCLBPT-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(Cl)cc1Cl ZINC001507149510 1186373155 /nfs/dbraw/zinc/37/31/55/1186373155.db2.gz XELVSNBDTMUIHY-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)[C@H]1C ZINC001507275045 1186379442 /nfs/dbraw/zinc/37/94/42/1186379442.db2.gz WYJAHZACRVBABY-RHSMWYFYSA-N 0 3 304.409 3.179 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(CCOCC)CCC2)[C@H]1C ZINC001507379151 1186408831 /nfs/dbraw/zinc/40/88/31/1186408831.db2.gz ZGXWOPDHXCQPTD-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C(C)C ZINC001507850199 1186450748 /nfs/dbraw/zinc/45/07/48/1186450748.db2.gz ZHVJTRGNGNBUBT-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc2cnccc2c1)C(C)C ZINC001507854459 1186451160 /nfs/dbraw/zinc/45/11/60/1186451160.db2.gz JABZYQOPMVKCIP-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2cc(Cl)cs2)CC1 ZINC001508221362 1186490625 /nfs/dbraw/zinc/49/06/25/1186490625.db2.gz HCNBFBHFDYNXTF-UHFFFAOYSA-N 0 3 324.877 3.268 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nccn1Cc1ccccc1 ZINC001515824655 1186771285 /nfs/dbraw/zinc/77/12/85/1186771285.db2.gz VBOZMTJTNPKKBI-HZMVEIRTSA-N 0 3 305.381 3.154 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@@H]1CC ZINC001515825792 1186771758 /nfs/dbraw/zinc/77/17/58/1186771758.db2.gz ZKAITYAZSZHMEY-CVEARBPZSA-N 0 3 317.481 3.042 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCCC1(C)C ZINC001516046398 1186776765 /nfs/dbraw/zinc/77/67/65/1186776765.db2.gz IVYHAGOPUHOJIN-HNNXBMFYSA-N 0 3 317.481 3.042 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1ccsc1 ZINC001517045613 1186799651 /nfs/dbraw/zinc/79/96/51/1186799651.db2.gz GCZKOHQLROYYPP-LLVKDONJSA-N 0 3 307.806 3.334 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cscc1Br ZINC001520037624 1186913033 /nfs/dbraw/zinc/91/30/33/1186913033.db2.gz ZGRMELOYIZKBRI-MRVPVSSYSA-N 0 3 324.203 3.217 20 30 DGEDHN N#CC(C(=O)CCC(=O)c1cccs1)c1cccc(F)n1 ZINC001524695337 1187261242 /nfs/dbraw/zinc/26/12/42/1187261242.db2.gz AINUXKZIZIQTSJ-SNVBAGLBSA-N 0 3 302.330 3.122 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001526587108 1187376376 /nfs/dbraw/zinc/37/63/76/1187376376.db2.gz JIQRRMGPUURMIY-WOPDTQHZSA-N 0 3 313.323 3.448 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1cc(F)ccc1F ZINC001526588383 1187376497 /nfs/dbraw/zinc/37/64/97/1187376497.db2.gz XPFXKNAHUTZHSB-LLVKDONJSA-N 0 3 323.730 3.161 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(C(F)F)cc1F ZINC001526587434 1187376743 /nfs/dbraw/zinc/37/67/43/1187376743.db2.gz PQJLXNGLSNHNOU-NSHDSACASA-N 0 3 307.275 3.470 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](CC#N)c1ccccc1 ZINC001526594928 1187377297 /nfs/dbraw/zinc/37/72/97/1187377297.db2.gz SAONEHMTJZRNOE-JKSUJKDBSA-N 0 3 306.369 3.167 20 30 DGEDHN N#CC(C(=O)[C@H]1CCCOCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001526620556 1187379714 /nfs/dbraw/zinc/37/97/14/1187379714.db2.gz MJGHKLHYBFOSRN-WDEREUQCSA-N 0 3 317.776 3.209 20 30 DGEDHN CC(C)C[C@@H](C)OCCC(=O)C(C#N)c1ncc(F)cc1F ZINC001527021037 1187406854 /nfs/dbraw/zinc/40/68/54/1187406854.db2.gz XWJAXCKVDGEUEV-YPMHNXCESA-N 0 3 310.344 3.377 20 30 DGEDHN C=C(CC(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001528046353 1187465473 /nfs/dbraw/zinc/46/54/73/1187465473.db2.gz LUKLIZBBGYDQFT-INIZCTEOSA-N 0 3 315.461 3.326 20 30 DGEDHN CCC#C[C@H](C)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001617547618 1193572710 /nfs/dbraw/zinc/57/27/10/1193572710.db2.gz YBEXNIDSGRRARF-HNNXBMFYSA-N 0 3 300.421 3.455 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1c(F)c(F)c(F)c(F)c1F ZINC001617604154 1193574960 /nfs/dbraw/zinc/57/49/60/1193574960.db2.gz OPNHUMKAORZXON-UHFFFAOYSA-N 0 3 322.321 3.322 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001565831744 1188981234 /nfs/dbraw/zinc/98/12/34/1188981234.db2.gz MTOGOHMIMVGFHQ-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC001556466178 1189001714 /nfs/dbraw/zinc/00/17/14/1189001714.db2.gz LXEORYVLSHFDCK-QGZVFWFLSA-N 0 3 314.473 3.148 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](Cc1ccccc1)C(C)C ZINC001556466335 1189002083 /nfs/dbraw/zinc/00/20/83/1189002083.db2.gz SQUYYQDCKCEIBI-LJQANCHMSA-N 0 3 316.489 3.468 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](CC#N)c1ccccc1 ZINC001556466484 1189003122 /nfs/dbraw/zinc/00/31/22/1189003122.db2.gz AHBCWWQPIOMLIY-SFHVURJKSA-N 0 3 313.445 3.040 20 30 DGEDHN C=CCCC[C@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC001557767884 1189084053 /nfs/dbraw/zinc/08/40/53/1189084053.db2.gz HCZKIBQLCYTOGN-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC001559285595 1189192310 /nfs/dbraw/zinc/19/23/10/1189192310.db2.gz UIZNDAXTUDDQOR-QGZVFWFLSA-N 0 3 320.440 3.402 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(Cc2cncc(C#N)c2)CC1 ZINC001559567948 1189218071 /nfs/dbraw/zinc/21/80/71/1189218071.db2.gz NLSMHWMYZAJTOG-FQEVSTJZSA-N 0 3 320.440 3.222 20 30 DGEDHN C[C@H]1CN(c2cccc(F)c2)CCN1CCc1ccc(C#N)cc1 ZINC001559874819 1189252085 /nfs/dbraw/zinc/25/20/85/1189252085.db2.gz AKHQUALXXVRRIV-INIZCTEOSA-N 0 3 323.415 3.451 20 30 DGEDHN C[C@@H](CN1CCN(c2cnccc2C#N)CC1)CC(C)(C)C ZINC001559872663 1189252527 /nfs/dbraw/zinc/25/25/27/1189252527.db2.gz ARBYUGLWOPQPHQ-OAHLLOKOSA-N 0 3 300.450 3.148 20 30 DGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001559972488 1189264947 /nfs/dbraw/zinc/26/49/47/1189264947.db2.gz PQINGLRNKJBKAD-UXHICEINSA-N 0 3 324.399 3.394 20 30 DGEDHN N#Cc1ccc(NC(=O)CN2C[C@@H]3CC=CC[C@@H]3C2)cc1Cl ZINC001560076128 1189275015 /nfs/dbraw/zinc/27/50/15/1189275015.db2.gz WHQGAMHAUWLYPA-OKILXGFUSA-N 0 3 315.804 3.048 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1COC(C)(C)C ZINC001560131053 1189281560 /nfs/dbraw/zinc/28/15/60/1189281560.db2.gz RNLYUWACOQBJTM-INIZCTEOSA-N 0 3 302.418 3.346 20 30 DGEDHN COC(=O)C[C@H](NCC#Cc1cccc(Cl)c1)C(C)(C)C ZINC001560173241 1189287722 /nfs/dbraw/zinc/28/77/22/1189287722.db2.gz ZZGOWHIGUROYKH-HNNXBMFYSA-N 0 3 307.821 3.259 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@](C)(CC)CCC)CC(C)(C)C1 ZINC001657105882 1196107046 /nfs/dbraw/zinc/10/70/46/1196107046.db2.gz FWLFQSWWQFNHHK-QFBILLFUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001560226518 1189294590 /nfs/dbraw/zinc/29/45/90/1189294590.db2.gz SUFSLMRTENZYQL-SFHVURJKSA-N 0 3 306.450 3.265 20 30 DGEDHN C#CCC[C@H](O)CNCc1ccccc1OCc1ccccc1 ZINC001560576051 1189343287 /nfs/dbraw/zinc/34/32/87/1189343287.db2.gz UBPTWQHWLQSVPX-IBGZPJMESA-N 0 3 309.409 3.130 20 30 DGEDHN C=C1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC001564088011 1189549354 /nfs/dbraw/zinc/54/93/54/1189549354.db2.gz FNAMYDIWAIZRCJ-SFHVURJKSA-N 0 3 313.445 3.013 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001564712399 1189592586 /nfs/dbraw/zinc/59/25/86/1189592586.db2.gz MBYJOIACQMEUEQ-INIZCTEOSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001564824355 1189598621 /nfs/dbraw/zinc/59/86/21/1189598621.db2.gz DUKOHBCLVCRNDD-UHFFFAOYSA-N 0 3 321.509 3.496 20 30 DGEDHN C=C1CN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001564878713 1189602617 /nfs/dbraw/zinc/60/26/17/1189602617.db2.gz OKYICRFQFDECEC-GOSISDBHSA-N 0 3 315.461 3.069 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001565826138 1189678513 /nfs/dbraw/zinc/67/85/13/1189678513.db2.gz GCHXJJPYMGQHEB-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCCCCOC)CC1 ZINC001565826015 1189679446 /nfs/dbraw/zinc/67/94/46/1189679446.db2.gz CZMQLWCZSDOXIG-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001565835147 1189685864 /nfs/dbraw/zinc/68/58/64/1189685864.db2.gz IAZFMXDVYAZWSD-MSOLQXFVSA-N 0 3 318.436 3.066 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCCC ZINC001565993087 1189710560 /nfs/dbraw/zinc/71/05/60/1189710560.db2.gz OOWDUGOFSGDOLH-BPQIPLTHSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cc3ccccc3o2)[C@@H]1C ZINC001566086921 1189731168 /nfs/dbraw/zinc/73/11/68/1189731168.db2.gz JMXFGAXGLKJEBR-QAPCUYQASA-N 0 3 324.424 3.315 20 30 DGEDHN Cc1ccc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)cc1 ZINC001566088958 1189732574 /nfs/dbraw/zinc/73/25/74/1189732574.db2.gz WJNFMCORIDWMEE-AEFFLSMTSA-N 0 3 312.457 3.124 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CCC)c2ccccc2)[C@H]1C ZINC001566113401 1189735961 /nfs/dbraw/zinc/73/59/61/1189735961.db2.gz VAFGAJSFNNTGEL-NXHRZFHOSA-N 0 3 300.446 3.335 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001566337674 1189764186 /nfs/dbraw/zinc/76/41/86/1189764186.db2.gz ANQDBXHOQHICFF-JZXOWHBKSA-N 0 3 300.446 3.368 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001566631090 1189838421 /nfs/dbraw/zinc/83/84/21/1189838421.db2.gz IQPJNKIUBSDOCR-INIZCTEOSA-N 0 3 321.465 3.456 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001566661345 1189846678 /nfs/dbraw/zinc/84/66/78/1189846678.db2.gz WRIDGGAKWFDYQH-ZDUSSCGKSA-N 0 3 310.825 3.484 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001566712468 1189871207 /nfs/dbraw/zinc/87/12/07/1189871207.db2.gz KCJWQBQQRJYBBH-KRWDZBQOSA-N 0 3 322.399 3.306 20 30 DGEDHN CC(C)CCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001566803740 1189907486 /nfs/dbraw/zinc/90/74/86/1189907486.db2.gz LQVKTWJRIZYYQV-WGSAOQKQSA-N 0 3 312.457 3.101 20 30 DGEDHN C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001566810993 1189911155 /nfs/dbraw/zinc/91/11/55/1189911155.db2.gz LFKZRFNFPIXCPH-VJVRBHMKSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001566822285 1189913841 /nfs/dbraw/zinc/91/38/41/1189913841.db2.gz XXOCSXFTLLERBY-JCZQEFQBSA-N 0 3 310.869 3.453 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001566839836 1189919525 /nfs/dbraw/zinc/91/95/25/1189919525.db2.gz LQIRTLJPELDEOL-GASCZTMLSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001566930531 1189959723 /nfs/dbraw/zinc/95/97/23/1189959723.db2.gz ZFSJNGWFIIKMKV-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2scnc2C)C1 ZINC001566958479 1189969388 /nfs/dbraw/zinc/96/93/88/1189969388.db2.gz PSYBJKVLFVLCAB-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2scnc2C)C1 ZINC001566958480 1189969620 /nfs/dbraw/zinc/96/96/20/1189969620.db2.gz PSYBJKVLFVLCAB-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC001566958685 1189970642 /nfs/dbraw/zinc/97/06/42/1189970642.db2.gz SNBXBCWIHQAEHM-DLBZAZTESA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C3CCC3)CCC2)C1 ZINC001566963432 1189972689 /nfs/dbraw/zinc/97/26/89/1189972689.db2.gz UOSFJRMJZDHCBI-IRXDYDNUSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C2CCC2)C1 ZINC001566963479 1189972806 /nfs/dbraw/zinc/97/28/06/1189972806.db2.gz VFTFMZYTPZMAMF-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001567049958 1190009725 /nfs/dbraw/zinc/00/97/25/1190009725.db2.gz SCCDRXRPMQGNGE-CQSZACIVSA-N 0 3 300.402 3.383 20 30 DGEDHN C[C@H](CNC(=O)[C@@H](C)C1CCCC1)NCc1ccc(C#N)s1 ZINC001567070448 1190019382 /nfs/dbraw/zinc/01/93/82/1190019382.db2.gz XNGGRLXNHKQEEY-OLZOCXBDSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C/Cl)C1 ZINC001567162980 1190048052 /nfs/dbraw/zinc/04/80/52/1190048052.db2.gz VSBMZRIYRLFHRY-POVPLDHISA-N 0 3 305.249 3.289 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)nc1C(C)C ZINC001567224185 1190079330 /nfs/dbraw/zinc/07/93/30/1190079330.db2.gz RCMQYVDZUGEGTG-CYBMUJFWSA-N 0 3 323.868 3.364 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)Cc1ccccc1 ZINC001567238857 1190086859 /nfs/dbraw/zinc/08/68/59/1190086859.db2.gz ICGRVKMBENDHOT-UKRRQHHQSA-N 0 3 308.853 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1Cc1cncs1 ZINC001567258739 1190098776 /nfs/dbraw/zinc/09/87/76/1190098776.db2.gz ZTZFPHYHLBKELB-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1(C)CC=CC1 ZINC001567262006 1190100226 /nfs/dbraw/zinc/10/02/26/1190100226.db2.gz RVWXRVFNWNNMEG-OAHLLOKOSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001567302279 1190119747 /nfs/dbraw/zinc/11/97/47/1190119747.db2.gz WFPIISSYGYWSLN-IEBWSBKVSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001567395143 1190169700 /nfs/dbraw/zinc/16/97/00/1190169700.db2.gz GQFUFXNFJANWAD-LSDHHAIUSA-N 0 3 304.409 3.291 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001567399266 1190170854 /nfs/dbraw/zinc/17/08/54/1190170854.db2.gz RBAXDTJUJGHANP-OAHLLOKOSA-N 0 3 318.848 3.082 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(COC)cc1)c1ccccc1 ZINC001567665701 1190243113 /nfs/dbraw/zinc/24/31/13/1190243113.db2.gz JSVITNBQDMZXTG-IBGZPJMESA-N 0 3 324.424 3.080 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C2CCCCCC2)C1 ZINC001567682108 1190251088 /nfs/dbraw/zinc/25/10/88/1190251088.db2.gz XVVCKCBAYIVHCD-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2ccsc2C)C1 ZINC001567689217 1190255549 /nfs/dbraw/zinc/25/55/49/1190255549.db2.gz UDZPWLCXUQZVGF-QGZVFWFLSA-N 0 3 320.502 3.488 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001567842857 1190318279 /nfs/dbraw/zinc/31/82/79/1190318279.db2.gz SHBDKCAEZTVCCW-GOSISDBHSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC1(F)F ZINC001567861428 1190324496 /nfs/dbraw/zinc/32/44/96/1190324496.db2.gz WEFRHQMPOHJODD-ILXRZTDVSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1occc1Cl ZINC001567861320 1190325031 /nfs/dbraw/zinc/32/50/31/1190325031.db2.gz REINNROOUIEMOX-AGIUHOORSA-N 0 3 308.809 3.186 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCOC1 ZINC001567865948 1190326347 /nfs/dbraw/zinc/32/63/47/1190326347.db2.gz DHHGYHDNXKBWDR-SQNIBIBYSA-N 0 3 322.493 3.059 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCOC1 ZINC001567865947 1190327666 /nfs/dbraw/zinc/32/76/66/1190327666.db2.gz DHHGYHDNXKBWDR-BZSNNMDCSA-N 0 3 322.493 3.059 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCOC2CCCCCC2)C1 ZINC001567873945 1190330307 /nfs/dbraw/zinc/33/03/07/1190330307.db2.gz DZMGBAXCKPLHKI-KRWDZBQOSA-N 0 3 322.493 3.273 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)N2CC[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001567873318 1190330802 /nfs/dbraw/zinc/33/08/02/1190330802.db2.gz VCYOIFMDAFDHQY-MSOLQXFVSA-N 0 3 312.457 3.214 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001567944396 1190369042 /nfs/dbraw/zinc/36/90/42/1190369042.db2.gz SXKBRVWIALZFJQ-HXUWFJFHSA-N 0 3 324.468 3.099 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H](C)CC)NCC#Cc1cccc(Cl)c1 ZINC001567951783 1190372321 /nfs/dbraw/zinc/37/23/21/1190372321.db2.gz RNPGEZYHPKPSQQ-WMLDXEAASA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1cccc(Cl)c1F ZINC001567957841 1190375750 /nfs/dbraw/zinc/37/57/50/1190375750.db2.gz BWLFOPZKSXVBCL-AWEZNQCLSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cccn2C)CCCC[C@@H]1C ZINC001568036062 1190406507 /nfs/dbraw/zinc/40/65/07/1190406507.db2.gz OSCWJTRBQYGRNP-SUMWQHHRSA-N 0 3 323.868 3.046 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](CCNCC(=C)Cl)C1 ZINC001568053160 1190411008 /nfs/dbraw/zinc/41/10/08/1190411008.db2.gz DSSVRBRTDDZMFF-INIZCTEOSA-N 0 3 310.869 3.151 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(Cl)[nH]2)CCCC1 ZINC001568241355 1190460156 /nfs/dbraw/zinc/46/01/56/1190460156.db2.gz NASBOFNBTYCUKQ-UHFFFAOYSA-N 0 3 316.232 3.053 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)cc1F ZINC001568261078 1190466613 /nfs/dbraw/zinc/46/66/13/1190466613.db2.gz ZYPBFYRFXDEIPK-LBPRGKRZSA-N 0 3 312.816 3.382 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)C1(C)CCCC1 ZINC001568290038 1190473683 /nfs/dbraw/zinc/47/36/83/1190473683.db2.gz FLABZNPRKGEFTG-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)[C@@H](C)CCC)C(C)C ZINC001568446429 1190524707 /nfs/dbraw/zinc/52/47/07/1190524707.db2.gz VQZOHEXWHGVWRI-WCQYABFASA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CC1CC(C)(C)C1)C(C)C ZINC001568460288 1190529024 /nfs/dbraw/zinc/52/90/24/1190529024.db2.gz GQMMSVIGUUIFJW-CQSZACIVSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1occc1Cl)C(C)C ZINC001568462223 1190529117 /nfs/dbraw/zinc/52/91/17/1190529117.db2.gz HJJTWUUGZNNIOC-LLVKDONJSA-N 0 3 305.205 3.030 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc2ccccc2[nH]1)C(C)C ZINC001568468594 1190531803 /nfs/dbraw/zinc/53/18/03/1190531803.db2.gz KOSVVLNDJBFZGN-INIZCTEOSA-N 0 3 319.836 3.264 20 30 DGEDHN Cc1cccc(C)c1CN(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001568480511 1190538566 /nfs/dbraw/zinc/53/85/66/1190538566.db2.gz IZXKPNBLRMFOOH-UHFFFAOYSA-N 0 3 314.473 3.243 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(CC(C)C)cc1 ZINC001568503902 1190552998 /nfs/dbraw/zinc/55/29/98/1190552998.db2.gz MOHGFPXDGOMSGQ-UHFFFAOYSA-N 0 3 302.462 3.465 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(C(F)F)c1F ZINC001568554103 1190564167 /nfs/dbraw/zinc/56/41/67/1190564167.db2.gz IURSVKQUMLYOIN-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2ncc(C)s2)CCC1 ZINC001568674715 1190576830 /nfs/dbraw/zinc/57/68/30/1190576830.db2.gz TXNQFLSXXHKKPP-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](CC)CC(F)(F)F ZINC001568699661 1190579913 /nfs/dbraw/zinc/57/99/13/1190579913.db2.gz TWAAEYFUTISDFG-GHMZBOCLSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC001568705193 1190580316 /nfs/dbraw/zinc/58/03/16/1190580316.db2.gz DJZWIADUWROHMI-HIFRSBDPSA-N 0 3 308.853 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001568715490 1190581942 /nfs/dbraw/zinc/58/19/42/1190581942.db2.gz RWWMITQIHPIFAL-CYBMUJFWSA-N 0 3 300.874 3.440 20 30 DGEDHN CC(C(=O)NC/C=C/CNCc1cccc(C#N)c1)=C1CCCC1 ZINC001568834217 1190593414 /nfs/dbraw/zinc/59/34/14/1190593414.db2.gz BRLYQOGITUIULR-SNAWJCMRSA-N 0 3 323.440 3.211 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001568857276 1190595439 /nfs/dbraw/zinc/59/54/39/1190595439.db2.gz SVKYSJIZAXMHLF-OAJJDEHYSA-N 0 3 316.420 3.431 20 30 DGEDHN C#CCNC/C=C\CNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001568971497 1190603566 /nfs/dbraw/zinc/60/35/66/1190603566.db2.gz LCMXSRQZZZMKAB-SREVYHEPSA-N 0 3 304.478 3.124 20 30 DGEDHN CCCC[C@@](C)(F)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001569002478 1190606850 /nfs/dbraw/zinc/60/68/50/1190606850.db2.gz DMRBJOMPMCRIHU-VQIMIIECSA-N 0 3 318.436 3.051 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001569142777 1190640239 /nfs/dbraw/zinc/64/02/39/1190640239.db2.gz SZCNTKIKOFGDPK-VBNZEHGJSA-N 0 3 306.837 3.066 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001569229459 1190654945 /nfs/dbraw/zinc/65/49/45/1190654945.db2.gz WCQXNTTWKJJIMO-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001569372539 1190680515 /nfs/dbraw/zinc/68/05/15/1190680515.db2.gz DHURYDOSYKASIH-MRXNPFEDSA-N 0 3 302.462 3.114 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCCc2ccccc2)C1 ZINC001569372310 1190680933 /nfs/dbraw/zinc/68/09/33/1190680933.db2.gz BBDCOHJQXDRGAK-GOSISDBHSA-N 0 3 312.457 3.166 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001569417248 1190694780 /nfs/dbraw/zinc/69/47/80/1190694780.db2.gz XYPWZHQCLXAUTP-GOSISDBHSA-N 0 3 318.436 3.475 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(CC)CCC ZINC001569449018 1190700273 /nfs/dbraw/zinc/70/02/73/1190700273.db2.gz QWZHFJXSTDTCPA-AOIWGVFYSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@H]1C ZINC001569517143 1190712179 /nfs/dbraw/zinc/71/21/79/1190712179.db2.gz PGTHZZDOWIEYRY-QOUCBHDVSA-N 0 3 317.260 3.078 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1ccc(F)c(F)c1 ZINC001569554018 1190716094 /nfs/dbraw/zinc/71/60/94/1190716094.db2.gz YXFQJQIBSIFRCV-HNNXBMFYSA-N 0 3 322.399 3.402 20 30 DGEDHN CC(C)=CC(=O)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001569599216 1190721171 /nfs/dbraw/zinc/72/11/71/1190721171.db2.gz VFJUAMQPSNINKB-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN CC[C@H](F)CNC[C@H](NC(=O)C#CC(C)(C)C)C1CCCC1 ZINC001569603844 1190722083 /nfs/dbraw/zinc/72/20/83/1190722083.db2.gz GOVYGQBWIRVXFL-HOTGVXAUSA-N 0 3 310.457 3.049 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC(C)(C)CC)C2 ZINC001569621279 1190724736 /nfs/dbraw/zinc/72/47/36/1190724736.db2.gz CQIRHSOKIWFADM-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001569637539 1190729647 /nfs/dbraw/zinc/72/96/47/1190729647.db2.gz LIDPBQIWQYBQDH-NRFANRHFSA-N 0 3 324.468 3.059 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC001569703143 1190743302 /nfs/dbraw/zinc/74/33/02/1190743302.db2.gz LBFGZZXLCIMOLL-MSOLQXFVSA-N 0 3 316.489 3.054 20 30 DGEDHN C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001569710452 1190745289 /nfs/dbraw/zinc/74/52/89/1190745289.db2.gz TXVKTVWZOBRQME-IBGZPJMESA-N 0 3 316.445 3.190 20 30 DGEDHN C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001569710452 1190745285 /nfs/dbraw/zinc/74/52/85/1190745285.db2.gz TXVKTVWZOBRQME-IBGZPJMESA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(OC)c2C)C1 ZINC001569723112 1190749011 /nfs/dbraw/zinc/74/90/11/1190749011.db2.gz SHHMXSYRRYEPRD-IBGZPJMESA-N 0 3 316.445 3.022 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(OC)c2C)C1 ZINC001569723114 1190749506 /nfs/dbraw/zinc/74/95/06/1190749506.db2.gz SHHMXSYRRYEPRD-LJQANCHMSA-N 0 3 316.445 3.022 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CCCC3CC3)C2)CC1 ZINC001569800695 1190755334 /nfs/dbraw/zinc/75/53/34/1190755334.db2.gz UCLXITXYDCTQJU-LJQANCHMSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001569800373 1190755461 /nfs/dbraw/zinc/75/54/61/1190755461.db2.gz QABBZIJVLRCARM-FUHWJXTLSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCN[C@H](CNC(=O)/C(C)=C\CC)c1ccccc1CC ZINC001569800436 1190755653 /nfs/dbraw/zinc/75/56/53/1190755653.db2.gz QIFULBHHTQMEEZ-JVCXIRSZSA-N 0 3 312.457 3.376 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)NCc2nccs2)C1 ZINC001569811012 1190758040 /nfs/dbraw/zinc/75/80/40/1190758040.db2.gz LICVSVMLMSCOGJ-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCC(C)(C)C)C[C@@H]2C1 ZINC001569875375 1190768648 /nfs/dbraw/zinc/76/86/48/1190768648.db2.gz BILQOCBXIXJFLI-CALCHBBNSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CC(C)(C)C ZINC001569913481 1190772760 /nfs/dbraw/zinc/77/27/60/1190772760.db2.gz RTOXZANHSZRJEY-YESZJQIVSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CCNCc2ncc(C)s2)C1 ZINC001569998710 1190780475 /nfs/dbraw/zinc/78/04/75/1190780475.db2.gz SANWZDVNVXCQFS-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccc(F)cc1 ZINC001570025531 1190782952 /nfs/dbraw/zinc/78/29/52/1190782952.db2.gz ILZBKSVDYFZRPW-UHFFFAOYSA-N 0 3 312.388 3.374 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1Cc2ccccc21 ZINC001570028193 1190783481 /nfs/dbraw/zinc/78/34/81/1190783481.db2.gz MVEROTAPLZXXCK-FQEVSTJZSA-N 0 3 320.436 3.261 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@]2(C)C=CCC2)cc1 ZINC001570031261 1190785317 /nfs/dbraw/zinc/78/53/17/1190785317.db2.gz KNTIQCYXGAJLFJ-OXQOHEQNSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@]2(C)C=CCC2)cc1 ZINC001570031259 1190785344 /nfs/dbraw/zinc/78/53/44/1190785344.db2.gz KNTIQCYXGAJLFJ-JXFKEZNVSA-N 0 3 310.441 3.333 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)Cc3ccoc3)cccc2C1 ZINC001570078052 1190791250 /nfs/dbraw/zinc/79/12/50/1190791250.db2.gz KAMPWCPSUVFACU-UHFFFAOYSA-N 0 3 324.424 3.073 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2c(C)nsc2C)CC1 ZINC001570171033 1190806431 /nfs/dbraw/zinc/80/64/31/1190806431.db2.gz OLXAQYMKFIKPLV-OAHLLOKOSA-N 0 3 321.490 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001570177054 1190808140 /nfs/dbraw/zinc/80/81/40/1190808140.db2.gz DTXJSSXQXSSPFM-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001570186845 1190811436 /nfs/dbraw/zinc/81/14/36/1190811436.db2.gz CAHNDWMLBZQMNS-WOJBJXKFSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001570188904 1190812068 /nfs/dbraw/zinc/81/20/68/1190812068.db2.gz DVIKCQFPMVJYER-OQBYNLHGSA-N 0 3 310.441 3.002 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001570202522 1190818468 /nfs/dbraw/zinc/81/84/68/1190818468.db2.gz BKNPSGMQHBGONR-SJORKVTESA-N 0 3 304.478 3.028 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H](C)CC)C2 ZINC001570275092 1190835850 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ZINC001643154953 1194999905 /nfs/dbraw/zinc/99/99/05/1194999905.db2.gz QOUQBUHQFNXLTM-IBGZPJMESA-N 0 3 312.457 3.006 20 30 DGEDHN C[C@H]1CCC[C@H](CCN2CCN(c3cnccc3C#N)CC2)C1 ZINC001643257395 1195009035 /nfs/dbraw/zinc/00/90/35/1195009035.db2.gz KZNLVFDTARUAQZ-DLBZAZTESA-N 0 3 312.461 3.292 20 30 DGEDHN N#Cc1cccc(C#N)c1N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001643327099 1195015474 /nfs/dbraw/zinc/01/54/74/1195015474.db2.gz DOQGNZWUTWPTDW-KRWDZBQOSA-N 0 3 322.799 3.234 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN2Cc2cc(C#N)ccn2)c1 ZINC001644364054 1195103118 /nfs/dbraw/zinc/10/31/18/1195103118.db2.gz LCUYFLLDBPAVOI-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC001645163215 1195163024 /nfs/dbraw/zinc/16/30/24/1195163024.db2.gz LFPLOWUISRTQJV-INIZCTEOSA-N 0 3 305.425 3.361 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C2CCCCC2)C1 ZINC001647854613 1195259283 /nfs/dbraw/zinc/25/92/83/1195259283.db2.gz OOGNAPBPEVABIW-FUHWJXTLSA-N 0 3 319.493 3.287 20 30 DGEDHN CC[C@H](NCc1csc(C#N)c1)[C@H](O)c1ccccc1F ZINC001650620918 1195364696 /nfs/dbraw/zinc/36/46/96/1195364696.db2.gz CJPPPRSETXPVKE-JKSUJKDBSA-N 0 3 304.390 3.361 20 30 DGEDHN C=CC[C@H](CO)CNCc1cccc(Cl)c1Br ZINC001650877450 1195391039 /nfs/dbraw/zinc/39/10/39/1195391039.db2.gz LGUJQDOKRJGOQE-JTQLQIEISA-N 0 3 318.642 3.377 20 30 DGEDHN Cc1c(Cl)cnc(NC[C@H]2N(C)CCCC2(C)C)c1C#N ZINC001651038759 1195406867 /nfs/dbraw/zinc/40/68/67/1195406867.db2.gz IKISZLYZDKSINY-CQSZACIVSA-N 0 3 306.841 3.447 20 30 DGEDHN Cc1ccc([C@@H](CNc2cc(C)c(C#N)cn2)N2CCCC2)o1 ZINC001651468048 1195466048 /nfs/dbraw/zinc/46/60/48/1195466048.db2.gz YFTOLZAWENSVFH-MRXNPFEDSA-N 0 3 310.401 3.412 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC001653334471 1195712316 /nfs/dbraw/zinc/71/23/16/1195712316.db2.gz SHDUYSUUQNPECQ-WOJBJXKFSA-N 0 3 322.408 3.055 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001653461405 1195726101 /nfs/dbraw/zinc/72/61/01/1195726101.db2.gz KXTLUGYNSLPBNR-MOPGFXCFSA-N 0 3 302.462 3.082 20 30 DGEDHN CCN(Cc1cncc(C#N)c1)[C@@H](COC)Cc1ccccc1 ZINC001653532306 1195731696 /nfs/dbraw/zinc/73/16/96/1195731696.db2.gz FWURBELLUGGPFB-LJQANCHMSA-N 0 3 309.413 3.033 20 30 DGEDHN CN(Cc1ccc(F)c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001654149160 1195779145 /nfs/dbraw/zinc/77/91/45/1195779145.db2.gz XNPMODDMCZZNTJ-KRWDZBQOSA-N 0 3 302.324 3.002 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cccc(F)c1OC(F)F ZINC001654318602 1195792459 /nfs/dbraw/zinc/79/24/59/1195792459.db2.gz YZROJTBIDCSUSV-UHFFFAOYSA-N 0 3 316.367 3.367 20 30 DGEDHN CCC#C[C@@H](C)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001655067069 1195872066 /nfs/dbraw/zinc/87/20/66/1195872066.db2.gz VOTYFQNBHQTWQT-KSTDHSDQSA-N 0 3 306.450 3.310 20 30 DGEDHN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(Cc2ccc(C#N)s2)[C@@H]1C ZINC001655085815 1195873619 /nfs/dbraw/zinc/87/36/19/1195873619.db2.gz QNSNWDYZFCPBSN-BRXULGCHSA-N 0 3 320.458 3.418 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC001655206271 1195890192 /nfs/dbraw/zinc/89/01/92/1195890192.db2.gz RFHIFLLAMQUYLR-UHFFFAOYSA-N 0 3 308.429 3.483 20 30 DGEDHN C#CCOc1ccccc1CNCCN1c2ccccc2C[C@@H]1C ZINC001655439904 1195917100 /nfs/dbraw/zinc/91/71/00/1195917100.db2.gz QLGFNYTYXXPVPB-KRWDZBQOSA-N 0 3 320.436 3.239 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(CC3CCCCC3)CC2)C1=O ZINC001655730806 1195957589 /nfs/dbraw/zinc/95/75/89/1195957589.db2.gz VGHPEJILTHITST-GOSISDBHSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)C1 ZINC001656093629 1195999547 /nfs/dbraw/zinc/99/95/47/1195999547.db2.gz RXGPYXQQQHSDBT-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001656109183 1196003274 /nfs/dbraw/zinc/00/32/74/1196003274.db2.gz GJEHPWDPBCGXAY-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2oc(C(C)C)nc2C)C1 ZINC001656122587 1196007404 /nfs/dbraw/zinc/00/74/04/1196007404.db2.gz RWMMKVOEFMZZFL-GASCZTMLSA-N 0 3 319.449 3.057 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC001656271890 1196025957 /nfs/dbraw/zinc/02/59/57/1196025957.db2.gz SWETVOOQHWNIJZ-XJKSGUPXSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCSCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC001656586295 1196052798 /nfs/dbraw/zinc/05/27/98/1196052798.db2.gz PUBFKHUNNJCOAA-ZDUSSCGKSA-N 0 3 307.459 3.418 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CCCCCC)C[C@@H]2C1 ZINC001656836514 1196074538 /nfs/dbraw/zinc/07/45/38/1196074538.db2.gz KIIHZXINZNJTNH-KSZLIROESA-N 0 3 304.478 3.006 20 30 DGEDHN C=CC[C@H]1CC[C@H](NCc2cc(S(C)(=O)=O)ccc2F)C1 ZINC001657234773 1196121999 /nfs/dbraw/zinc/12/19/99/1196121999.db2.gz HNENZHDVLPNUTK-JSGCOSHPSA-N 0 3 311.422 3.064 20 30 DGEDHN C#CC1(NCc2cnc3ccc(Br)cn23)CCCC1 ZINC001657876372 1196189706 /nfs/dbraw/zinc/18/97/06/1196189706.db2.gz DYXOYUQJJOQZGW-UHFFFAOYSA-N 0 3 318.218 3.132 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(CCCC)cc1 ZINC001660216834 1196458275 /nfs/dbraw/zinc/45/82/75/1196458275.db2.gz UPBRLWNHOIAWEP-UHFFFAOYSA-N 0 3 300.446 3.104 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001660439490 1196484178 /nfs/dbraw/zinc/48/41/78/1196484178.db2.gz IJAIHBRNRUNPTN-GJZGRUSLSA-N 0 3 310.869 3.148 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCCC#CC ZINC001660447138 1196485289 /nfs/dbraw/zinc/48/52/89/1196485289.db2.gz NHCZRLCSQYJWIK-JKSUJKDBSA-N 0 3 310.869 3.292 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCC(F)F ZINC001660447253 1196485547 /nfs/dbraw/zinc/48/55/47/1196485547.db2.gz OOZCTYZZNXHJBO-RYUDHWBXSA-N 0 3 308.800 3.143 20 30 DGEDHN N#Cc1cccc(OCCCN2CCCC[C@]23CCCOC3)c1 ZINC001660702091 1196513836 /nfs/dbraw/zinc/51/38/36/1196513836.db2.gz YXDJCVJJDQCXPT-LJQANCHMSA-N 0 3 314.429 3.362 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC001660719615 1196516174 /nfs/dbraw/zinc/51/61/74/1196516174.db2.gz RWLKQUUXPDAQBC-AWEZNQCLSA-N 0 3 318.848 3.047 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC001660749685 1196519161 /nfs/dbraw/zinc/51/91/61/1196519161.db2.gz SZBGTFKZXBUEAE-UHFFFAOYSA-N 0 3 324.468 3.173 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CO[C@H]2CCCC[C@H]2CC)CC1 ZINC001660772619 1196522482 /nfs/dbraw/zinc/52/24/82/1196522482.db2.gz VBGWMCKIOUMBOY-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001660794086 1196524701 /nfs/dbraw/zinc/52/47/01/1196524701.db2.gz FUQOCMSHRHRHJA-UHFFFAOYSA-N 0 3 306.372 3.074 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001661067260 1196561158 /nfs/dbraw/zinc/56/11/58/1196561158.db2.gz ZDPIDKPUXNEPCZ-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001661087192 1196564399 /nfs/dbraw/zinc/56/43/99/1196564399.db2.gz RUSVARBJBKABBH-HZPDHXFCSA-N 0 3 310.457 3.404 20 30 DGEDHN Cc1csc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)c1C#N ZINC001661563521 1196620171 /nfs/dbraw/zinc/62/01/71/1196620171.db2.gz CSBGEHACVQXGBB-CYBMUJFWSA-N 0 3 320.462 3.170 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001661589702 1196622087 /nfs/dbraw/zinc/62/20/87/1196622087.db2.gz VLPSRARREINAFG-GASCZTMLSA-N 0 3 322.811 3.019 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001661600607 1196622942 /nfs/dbraw/zinc/62/29/42/1196622942.db2.gz AKYVVFOKUMYRAW-GASCZTMLSA-N 0 3 322.399 3.304 20 30 DGEDHN C[C@@]1(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC=CCC1 ZINC001661602237 1196623612 /nfs/dbraw/zinc/62/36/12/1196623612.db2.gz VVPWWIKZFWEUIU-SVFBPWRDSA-N 0 3 322.452 3.021 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001661673347 1196630096 /nfs/dbraw/zinc/63/00/96/1196630096.db2.gz ALNLDDYSTPSIAO-MCIONIFRSA-N 0 3 300.874 3.438 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001661737997 1196639216 /nfs/dbraw/zinc/63/92/16/1196639216.db2.gz DRZMOYMIIVNZTQ-IAGOWNOFSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001661744201 1196639993 /nfs/dbraw/zinc/63/99/93/1196639993.db2.gz WHHRORNGGWNCCK-RBUKOAKNSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001661861541 1196654513 /nfs/dbraw/zinc/65/45/13/1196654513.db2.gz PTHHVKNYDXVEOB-GOSISDBHSA-N 0 3 320.477 3.050 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(CC(C)C)CCC1 ZINC001661871222 1196655041 /nfs/dbraw/zinc/65/50/41/1196655041.db2.gz NDUPLPIYPHLVDS-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCCCCCN1CCCC[C@@H]1CNC(=O)c1cnco1 ZINC001661875329 1196655787 /nfs/dbraw/zinc/65/57/87/1196655787.db2.gz CPFNWCXIOVGMHU-OAHLLOKOSA-N 0 3 307.438 3.229 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001661943768 1196664722 /nfs/dbraw/zinc/66/47/22/1196664722.db2.gz SSMBQBRAZRBHLW-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001662044185 1196677033 /nfs/dbraw/zinc/67/70/33/1196677033.db2.gz SMOHKRVOFQTJFP-PRZQUDPMSA-N 0 3 324.468 3.349 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)[C@H](O)C(C)C ZINC001662124955 1196683917 /nfs/dbraw/zinc/68/39/17/1196683917.db2.gz QNLJPCMHYBEAEU-QGZVFWFLSA-N 0 3 323.864 3.485 20 30 DGEDHN C[C@@H](C#N)C(=O)NC[C@H](C)NC1c2ccccc2-c2ccccc21 ZINC001662180418 1196691315 /nfs/dbraw/zinc/69/13/15/1196691315.db2.gz UXIVSXSZJIOHFX-KBPBESRZSA-N 0 3 319.408 3.010 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001662878470 1196766537 /nfs/dbraw/zinc/76/65/37/1196766537.db2.gz OOFAQOFHOWTYQA-KRWDZBQOSA-N 0 3 316.420 3.002 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)cc(C)cc1C ZINC001663007824 1196782731 /nfs/dbraw/zinc/78/27/31/1196782731.db2.gz FSGMKMJBZFRMLN-HNNXBMFYSA-N 0 3 308.853 3.462 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2ccc(C)c(C)c2)cc1 ZINC001663245443 1196817394 /nfs/dbraw/zinc/81/73/94/1196817394.db2.gz WRSWFFRKMJONJG-UHFFFAOYSA-N 0 3 320.436 3.147 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001663443106 1196870383 /nfs/dbraw/zinc/87/03/83/1196870383.db2.gz NMCNVNLKXQPLRO-LLVKDONJSA-N 0 3 300.855 3.129 20 30 DGEDHN C=CCC1(C(=O)NCCN(CC)C[C@H]2CCCCO2)CCCC1 ZINC001663460706 1196873816 /nfs/dbraw/zinc/87/38/16/1196873816.db2.gz BKVRHTZBIXNUFB-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN O=C(C#CC1CC1)NC[C@@H]1CCCN1Cc1ccccc1C1CC1 ZINC001663492861 1196886024 /nfs/dbraw/zinc/88/60/24/1196886024.db2.gz JCZZCTPXVKZBML-IBGZPJMESA-N 0 3 322.452 3.058 20 30 DGEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)CC1CCCCCC1 ZINC001663527500 1196895378 /nfs/dbraw/zinc/89/53/78/1196895378.db2.gz DDOYNNKPKNPQFE-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001663554317 1196903416 /nfs/dbraw/zinc/90/34/16/1196903416.db2.gz ZXTMSPVVFOQCSH-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001663572332 1196906563 /nfs/dbraw/zinc/90/65/63/1196906563.db2.gz LTZFRKQDIDPIIB-CQSZACIVSA-N 0 3 306.837 3.244 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001663680118 1196927334 /nfs/dbraw/zinc/92/73/34/1196927334.db2.gz XGIZSJWCAIOGFC-MRXNPFEDSA-N 0 3 318.436 3.171 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1Cc2c1cccc2Cl)C1CC1 ZINC001663776929 1196944622 /nfs/dbraw/zinc/94/46/22/1196944622.db2.gz ACHAVZYRIAAHGP-MRXNPFEDSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001664587777 1197018130 /nfs/dbraw/zinc/01/81/30/1197018130.db2.gz GZFGYDISYXSSTR-DLBZAZTESA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001664658406 1197029252 /nfs/dbraw/zinc/02/92/52/1197029252.db2.gz YHRKJHGPEROBDK-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001664658406 1197029257 /nfs/dbraw/zinc/02/92/57/1197029257.db2.gz YHRKJHGPEROBDK-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001664672878 1197030960 /nfs/dbraw/zinc/03/09/60/1197030960.db2.gz FDVCRVBQYVYRFG-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(Cc2cncs2)C1 ZINC001664716370 1197042552 /nfs/dbraw/zinc/04/25/52/1197042552.db2.gz BXMHVFPFOXIIRS-CQSZACIVSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(CCc2ccc(C)cc2)C1 ZINC001665284423 1197118360 /nfs/dbraw/zinc/11/83/60/1197118360.db2.gz XCLZBCFYXJZQDS-UHFFFAOYSA-N 0 3 314.473 3.188 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001665392143 1197131532 /nfs/dbraw/zinc/13/15/32/1197131532.db2.gz JBQOTGIETFCBCD-ROUUACIJSA-N 0 3 316.489 3.476 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001665409644 1197132514 /nfs/dbraw/zinc/13/25/14/1197132514.db2.gz KOQBFBKABUJVGR-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CF)cc1 ZINC001665432443 1197136371 /nfs/dbraw/zinc/13/63/71/1197136371.db2.gz ATRCBGIBBRHKLD-IRXDYDNUSA-N 0 3 302.393 3.021 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001665500785 1197144945 /nfs/dbraw/zinc/14/49/45/1197144945.db2.gz PZUGIEBJFAYDSY-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001665505522 1197145657 /nfs/dbraw/zinc/14/56/57/1197145657.db2.gz SWIWHNRRPZNNIQ-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001665682051 1197170870 /nfs/dbraw/zinc/17/08/70/1197170870.db2.gz SZEGGQFAYNXXQD-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1C[C@@H]2CSC[C@@H]2C1 ZINC001665650345 1197164409 /nfs/dbraw/zinc/16/44/09/1197164409.db2.gz AXELZQXLBJKQDO-BETUJISGSA-N 0 3 307.846 3.147 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccccc2C)C1 ZINC001665732835 1197182937 /nfs/dbraw/zinc/18/29/37/1197182937.db2.gz YTBTYTKAIPPVHV-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccccc2F)C1 ZINC001665741632 1197185406 /nfs/dbraw/zinc/18/54/06/1197185406.db2.gz FEUBXXIXONHWNN-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN CC[C@@H](CNC(=O)C[C@H]1C=CCCC1)NCC#Cc1ccccc1 ZINC001665810317 1197200543 /nfs/dbraw/zinc/20/05/43/1197200543.db2.gz SXCXYXPCXCHKIJ-PMACEKPBSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCCCC(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001665839253 1197205037 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C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001666913968 1197297824 /nfs/dbraw/zinc/29/78/24/1197297824.db2.gz NFEMFYVDMGLFMA-MRXNPFEDSA-N 0 3 317.477 3.498 20 30 DGEDHN CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CC1 ZINC001667087651 1197316500 /nfs/dbraw/zinc/31/65/00/1197316500.db2.gz ZLWPDMGXFUPUCE-ZDUSSCGKSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCC(=O)NC[C@H](NCC#Cc1ccccc1Cl)C(C)C ZINC001667431424 1197347633 /nfs/dbraw/zinc/34/76/33/1197347633.db2.gz RDAIRJWCVQEZDW-KRWDZBQOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001667591697 1197364972 /nfs/dbraw/zinc/36/49/72/1197364972.db2.gz BJWXEOQNRVJCDC-KBPBESRZSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1[nH]c2ccccc2c1Cl ZINC001667592564 1197365000 /nfs/dbraw/zinc/36/50/00/1197365000.db2.gz QRNROHNVTQTQNE-UHFFFAOYSA-N 0 3 305.809 3.011 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1cccc(CC)c1 ZINC001667607815 1197367591 /nfs/dbraw/zinc/36/75/91/1197367591.db2.gz MIAUZKRGXSKKJC-UHFFFAOYSA-N 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C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001672472890 1197612861 /nfs/dbraw/zinc/61/28/61/1197612861.db2.gz CIKIBEIBBCUVBC-DOTOQJQBSA-N 0 3 305.466 3.144 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001672796208 1197623130 /nfs/dbraw/zinc/62/31/30/1197623130.db2.gz KFVMCROKYWSTLA-WCXIOVBPSA-N 0 3 322.880 3.169 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001672885016 1197626584 /nfs/dbraw/zinc/62/65/84/1197626584.db2.gz HTWOSTSPCAIICU-OAHLLOKOSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC001672911377 1197627964 /nfs/dbraw/zinc/62/79/64/1197627964.db2.gz STYRYWXSTPQKHD-HNNXBMFYSA-N 0 3 323.868 3.263 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N(CCC)CCN1CCCCC1 ZINC001673085003 1197637363 /nfs/dbraw/zinc/63/73/63/1197637363.db2.gz FJCSANCMINVDPL-UHFFFAOYSA-N 0 3 309.498 3.496 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1sccc1C(C)C ZINC001673492123 1197669066 /nfs/dbraw/zinc/66/90/66/1197669066.db2.gz XGCMGLQKBCJPSH-UHFFFAOYSA-N 0 3 306.475 3.289 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC001673629907 1197681982 /nfs/dbraw/zinc/68/19/82/1197681982.db2.gz UTXRSXSIDWMDRG-KXBFYZLASA-N 0 3 321.424 3.481 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccco2)C(C)(C)C1 ZINC001674034708 1197726483 /nfs/dbraw/zinc/72/64/83/1197726483.db2.gz WTGBZCKGBHGYPS-HOCLYGCPSA-N 0 3 304.434 3.176 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001674139424 1197737219 /nfs/dbraw/zinc/73/72/19/1197737219.db2.gz ARUUAJZMASIQDW-WBVHZDCISA-N 0 3 315.461 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001674140942 1197737617 /nfs/dbraw/zinc/73/76/17/1197737617.db2.gz JDPFSTKXXWNUDU-NVXWUHKLSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001674139421 1197737944 /nfs/dbraw/zinc/73/79/44/1197737944.db2.gz ARUUAJZMASIQDW-DOTOQJQBSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2scnc2c1 ZINC001674245641 1197750790 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C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1Cc1cc(C)no1 ZINC001690905590 1200778493 /nfs/dbraw/zinc/77/84/93/1200778493.db2.gz KTRXBZFMDALECV-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN CCCc1ccc(CN(C)[C@H](C)CNC(=O)C#CC(C)C)cc1 ZINC001755298726 1200779699 /nfs/dbraw/zinc/77/96/99/1200779699.db2.gz LQCJSQAJZDXNQZ-QGZVFWFLSA-N 0 3 314.473 3.235 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC001691799994 1200811696 /nfs/dbraw/zinc/81/16/96/1200811696.db2.gz FFTMLYNHEHVRCD-QAPCUYQASA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(C)CC(F)(F)C1)c1ccccc1 ZINC001691801893 1200814257 /nfs/dbraw/zinc/81/42/57/1200814257.db2.gz XMLXNWNVUXQEGE-AWEZNQCLSA-N 0 3 308.372 3.055 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)n2cccc2)CCCCC1 ZINC001755350591 1200835418 /nfs/dbraw/zinc/83/54/18/1200835418.db2.gz YUFXFUWHVQWIOQ-OAHLLOKOSA-N 0 3 323.868 3.210 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2sccc2F)C1 ZINC001691849519 1200836200 /nfs/dbraw/zinc/83/62/00/1200836200.db2.gz RAYHVPHOVWRXSS-ZDUSSCGKSA-N 0 3 310.438 3.390 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001691871014 1200848926 /nfs/dbraw/zinc/84/89/26/1200848926.db2.gz NYKJVNGRTOJWNY-AEGPPILISA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001755389567 1200871353 /nfs/dbraw/zinc/87/13/53/1200871353.db2.gz ZHNUFFBIHXBLEY-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001755391832 1200873765 /nfs/dbraw/zinc/87/37/65/1200873765.db2.gz LJDLXLGWJRYDBQ-MRXNPFEDSA-N 0 3 314.473 3.285 20 30 DGEDHN CCC(=O)N1CCC[C@@H](C)[C@@H]1CCNCc1ccccc1C#N ZINC001691981535 1200895118 /nfs/dbraw/zinc/89/51/18/1200895118.db2.gz CEOUHEGMNKKNHP-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNCc1cnoc1C ZINC001691987839 1200898281 /nfs/dbraw/zinc/89/82/81/1200898281.db2.gz RWGBOBDFTNUUDJ-PBHICJAKSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C/C=C/c2ccc(F)cc2)[C@H]1C 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KXUJMAJYFMTGAF-GOSISDBHSA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(CN[C@H](C)c2ccccc2F)CCCC1 ZINC001698626939 1201296600 /nfs/dbraw/zinc/29/66/00/1201296600.db2.gz HPFOMKKCPGLWGJ-ZIAGYGMSSA-N 0 3 317.408 3.065 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C#CC(C)(C)C)CCCC[C@H]1C ZINC001698651933 1201315248 /nfs/dbraw/zinc/31/52/48/1201315248.db2.gz BFSXENKXPUQOIU-KDOFPFPSSA-N 0 3 324.896 3.443 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H](C)n1cccc1)C1CC1 ZINC001698653110 1201318293 /nfs/dbraw/zinc/31/82/93/1201318293.db2.gz OBFYMWBDOIETMI-RHSMWYFYSA-N 0 3 323.868 3.066 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H](C)SC)C1 ZINC001698685992 1201334515 /nfs/dbraw/zinc/33/45/15/1201334515.db2.gz FIUHGWHVNRDGLS-KGLIPLIRSA-N 0 3 318.914 3.099 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC(C)(C)CC)cc1 ZINC001698717866 1201358703 /nfs/dbraw/zinc/35/87/03/1201358703.db2.gz LLOMNKPIHGQSKM-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cncc(F)c2)CCCC1 ZINC001698801341 1201431030 /nfs/dbraw/zinc/43/10/30/1201431030.db2.gz MZPGVPVYMOFIMY-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccccc1CC(C)(C)C ZINC001698991445 1201657358 /nfs/dbraw/zinc/65/73/58/1201657358.db2.gz NVBLXWOPAFTILF-UHFFFAOYSA-N 0 3 314.473 3.302 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)CCCc1cc(C)sc1C ZINC001699011377 1201681120 /nfs/dbraw/zinc/68/11/20/1201681120.db2.gz XJAGGEZKFKGPIA-UHFFFAOYSA-N 0 3 320.502 3.101 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1sc(C(C)(C)C)nc1C ZINC001699011373 1201682302 /nfs/dbraw/zinc/68/23/02/1201682302.db2.gz XGYOAWSCQVPDKD-UHFFFAOYSA-N 0 3 323.506 3.329 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001699263176 1201773434 /nfs/dbraw/zinc/77/34/34/1201773434.db2.gz LKOCFLYUHKISST-AATRIKPKSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2ccc(CF)cc2)C1 ZINC001699305578 1201784302 /nfs/dbraw/zinc/78/43/02/1201784302.db2.gz SZROIVXPFVIWLU-ONEGZZNKSA-N 0 3 316.420 3.274 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc(C)c1Cl)C1CC1 ZINC001752283717 1201817217 /nfs/dbraw/zinc/81/72/17/1201817217.db2.gz PFLYUBKMCKDPKE-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1cc(C)ccc1OC ZINC001699379196 1201827433 /nfs/dbraw/zinc/82/74/33/1201827433.db2.gz ZNAWGEKVGJAXLB-BEFAXECRSA-N 0 3 318.461 3.200 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001752411562 1201832505 /nfs/dbraw/zinc/83/25/05/1201832505.db2.gz LRDKNRPNAHSAPV-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccc(Cl)o2)CC1 ZINC001752431473 1201835615 /nfs/dbraw/zinc/83/56/15/1201835615.db2.gz HCNGYCOIJDHRRI-UHFFFAOYSA-N 0 3 322.836 3.273 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001752435305 1201836786 /nfs/dbraw/zinc/83/67/86/1201836786.db2.gz PKEQQISHRIKBKD-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2cccc(F)c2Cl)C1 ZINC001752627126 1201881055 /nfs/dbraw/zinc/88/10/55/1201881055.db2.gz CATYMCMJCZODSN-HDJSIYSDSA-N 0 3 322.811 3.019 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H](C)C(C)(C)C ZINC001699451718 1201888747 /nfs/dbraw/zinc/88/87/47/1201888747.db2.gz YHCCLSZRKRDRLB-CABCVRRESA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2cccnc2C)C1 ZINC001752786519 1201921639 /nfs/dbraw/zinc/92/16/39/1201921639.db2.gz UIVRDYHEHRCBBM-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001752789609 1201925470 /nfs/dbraw/zinc/92/54/70/1201925470.db2.gz GYERDRKFJUUODK-UYAOXDASSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1sc(C)cc1C ZINC001699549563 1201946764 /nfs/dbraw/zinc/94/67/64/1201946764.db2.gz LAXVKLSOFATSDJ-UHFFFAOYSA-N 0 3 314.882 3.098 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C/C=C\Cl ZINC001752831271 1201956526 /nfs/dbraw/zinc/95/65/26/1201956526.db2.gz CTCUDBDWDKVMGK-VHDZQUKYSA-N 0 3 322.880 3.388 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CCCCC)C1 ZINC001752839716 1201964196 /nfs/dbraw/zinc/96/41/96/1201964196.db2.gz DIFFIYMOQBOUNR-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001699625471 1201985751 /nfs/dbraw/zinc/98/57/51/1201985751.db2.gz DJYRFYCGVKKTMX-OAHLLOKOSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001699623893 1201986870 /nfs/dbraw/zinc/98/68/70/1201986870.db2.gz MSZQHUQCUPNBRU-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001699630702 1201996049 /nfs/dbraw/zinc/99/60/49/1201996049.db2.gz SBXXBSCQQAAFRY-RDJZCZTQSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001699632913 1201998738 /nfs/dbraw/zinc/99/87/38/1201998738.db2.gz KHMLKIHJISXOPF-XJKSGUPXSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2sc(C)nc2C)CC1 ZINC001752900330 1202002782 /nfs/dbraw/zinc/00/27/82/1202002782.db2.gz XVKYUDJKHUQVPM-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001699696852 1202038455 /nfs/dbraw/zinc/03/84/55/1202038455.db2.gz JTWOZPAAMYAIOJ-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@](C)(CC)CCC)C2)CC1 ZINC001699700501 1202040248 /nfs/dbraw/zinc/04/02/48/1202040248.db2.gz RLWDXPWGPSGUGN-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccoc1C ZINC001753022870 1202065573 /nfs/dbraw/zinc/06/55/73/1202065573.db2.gz NITKVJPGOURQCB-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C#CCN(C(=O)[C@@H](CC)CC(C)C)C1CCN(CC=C)CC1 ZINC001699785729 1202077665 /nfs/dbraw/zinc/07/76/65/1202077665.db2.gz YRRWNAXGGYMMIA-KRWDZBQOSA-N 0 3 304.478 3.171 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001699825140 1202102062 /nfs/dbraw/zinc/10/20/62/1202102062.db2.gz UXEHHYJYPMGKAF-KRWDZBQOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C[C@H](C(=O)NC[C@]1(C)CCCN(CC#CC)C1)c1ccccc1 ZINC001699879741 1202135395 /nfs/dbraw/zinc/13/53/95/1202135395.db2.gz XATYJXDDGDVJEF-FPOVZHCZSA-N 0 3 324.468 3.198 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001753106017 1202137723 /nfs/dbraw/zinc/13/77/23/1202137723.db2.gz JYMIUZGMCBMRFB-MRXNPFEDSA-N 0 3 306.475 3.493 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)CCCCC1 ZINC001699928714 1202138769 /nfs/dbraw/zinc/13/87/69/1202138769.db2.gz CVODLCIZRYOSFY-ULQDDVLXSA-N 0 3 322.468 3.452 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)SC)c1ccccc1CC ZINC001699933047 1202140537 /nfs/dbraw/zinc/14/05/37/1202140537.db2.gz KNXWOBYVZGGQJE-YOEHRIQHSA-N 0 3 320.502 3.324 20 30 DGEDHN C=CCCCN1CCC[C@@H]1CNC(=O)c1cnc(C(C)C)s1 ZINC001753117950 1202146724 /nfs/dbraw/zinc/14/67/24/1202146724.db2.gz DZDPLGQPKQOAGP-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1C ZINC001753120475 1202149701 /nfs/dbraw/zinc/14/97/01/1202149701.db2.gz XHSSCTIAKGXCIV-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CCF)CCCC1 ZINC001699977576 1202154536 /nfs/dbraw/zinc/15/45/36/1202154536.db2.gz QUBZWAVNTHPMCB-BJWYYQGGSA-N 0 3 322.468 3.452 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)CCCC)[C@@H]2C1 ZINC001700016866 1202164377 /nfs/dbraw/zinc/16/43/77/1202164377.db2.gz NNWPWVIPFXEMTQ-OKZBNKHCSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2c(cccc2F)s1 ZINC001753149590 1202166983 /nfs/dbraw/zinc/16/69/83/1202166983.db2.gz GXOQQOWBIGETFJ-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001753150269 1202169139 /nfs/dbraw/zinc/16/91/39/1202169139.db2.gz GZVRBOYWFJEWQR-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001753150280 1202169336 /nfs/dbraw/zinc/16/93/36/1202169336.db2.gz HGLNDQCMRSMZGR-UHFFFAOYSA-N 0 3 322.399 3.263 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc2c1CCCC2)C1CC1 ZINC001753154128 1202171437 /nfs/dbraw/zinc/17/14/37/1202171437.db2.gz AAPZMOSOBYQCRV-UHFFFAOYSA-N 0 3 312.457 3.336 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001700085452 1202175747 /nfs/dbraw/zinc/17/57/47/1202175747.db2.gz JRICHWKUQRROID-GJZGRUSLSA-N 0 3 310.869 3.147 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001700089615 1202176320 /nfs/dbraw/zinc/17/63/20/1202176320.db2.gz AMPLRBUTULDTBB-QZTJIDSGSA-N 0 3 324.424 3.317 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)C2CC2)cc1 ZINC001700099090 1202180419 /nfs/dbraw/zinc/18/04/19/1202180419.db2.gz KGWVCDNNNVNWIF-HZPDHXFCSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2c(C)cccc2F)cc1 ZINC001700099839 1202180868 /nfs/dbraw/zinc/18/08/68/1202180868.db2.gz QZUPEHGNOZBMCA-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001700174313 1202194106 /nfs/dbraw/zinc/19/41/06/1202194106.db2.gz NSKZOVKQSYFNMJ-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001753310708 1202202904 /nfs/dbraw/zinc/20/29/04/1202202904.db2.gz UTCBXYHUGHUNPJ-JZXOWHBKSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2c(C)nsc2C)C1 ZINC001753323096 1202210399 /nfs/dbraw/zinc/21/03/99/1202210399.db2.gz LCQULJZSLUDYTI-HNNXBMFYSA-N 0 3 321.490 3.263 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](C)C(C)C)cc2C1 ZINC001700252876 1202218733 /nfs/dbraw/zinc/21/87/33/1202218733.db2.gz ZUJUFKRWOJFXBS-HNNXBMFYSA-N 0 3 300.446 3.487 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccnc2C)CC1(C)C ZINC001700288125 1202226605 /nfs/dbraw/zinc/22/66/05/1202226605.db2.gz KPHOZQOUMVPTHT-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(F)cc2)C(C)(C)C1 ZINC001700290812 1202227786 /nfs/dbraw/zinc/22/77/86/1202227786.db2.gz RJEVRNXMLVNYRQ-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001700315058 1202232877 /nfs/dbraw/zinc/23/28/77/1202232877.db2.gz BWYACFOHHYPVST-DZGCQCFKSA-N 0 3 306.475 3.429 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001700331985 1202240106 /nfs/dbraw/zinc/24/01/06/1202240106.db2.gz PRRCEKATKIVFOA-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)F ZINC001700330793 1202240186 /nfs/dbraw/zinc/24/01/86/1202240186.db2.gz YLORNDFUAGLTSX-QGZVFWFLSA-N 0 3 318.436 3.416 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001753410913 1202244525 /nfs/dbraw/zinc/24/45/25/1202244525.db2.gz VEJCFQDZFKYRFR-INIZCTEOSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1scnc1C(C)(C)C ZINC001700360360 1202249134 /nfs/dbraw/zinc/24/91/34/1202249134.db2.gz GVHOOSKWRNZNBX-ZDUSSCGKSA-N 0 3 321.490 3.163 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1cccs1 ZINC001753428166 1202250466 /nfs/dbraw/zinc/25/04/66/1202250466.db2.gz ZAZPNUCHSGMPFV-HOTGVXAUSA-N 0 3 318.486 3.322 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001700365382 1202251711 /nfs/dbraw/zinc/25/17/11/1202251711.db2.gz OTZVNLHKIGYLAX-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2ncsc2c1 ZINC001700364506 1202252408 /nfs/dbraw/zinc/25/24/08/1202252408.db2.gz LPZXZHCJEZFEBL-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1cccc(F)c1 ZINC001700366379 1202252781 /nfs/dbraw/zinc/25/27/81/1202252781.db2.gz UPMGDMZEBVJFGM-RHSMWYFYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C/C=C/Cc2ccccc2)C1 ZINC001753439465 1202254530 /nfs/dbraw/zinc/25/45/30/1202254530.db2.gz ONNBVQCFHRYRBA-IHHMQQGQSA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CCCF)C2)CCCCC1 ZINC001753450892 1202260144 /nfs/dbraw/zinc/26/01/44/1202260144.db2.gz XYRIAQYBFUWXRX-INIZCTEOSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)c1F ZINC001700396708 1202261472 /nfs/dbraw/zinc/26/14/72/1202261472.db2.gz YAYMLGNMCKEHDQ-RYUDHWBXSA-N 0 3 312.816 3.428 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1sccc1Cl ZINC001700395369 1202261477 /nfs/dbraw/zinc/26/14/77/1202261477.db2.gz POOYKNLKSYTGBK-VXGBXAGGSA-N 0 3 312.866 3.188 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001700402558 1202263578 /nfs/dbraw/zinc/26/35/78/1202263578.db2.gz VFEBDDKEICWTJF-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001700411233 1202265595 /nfs/dbraw/zinc/26/55/95/1202265595.db2.gz DVBAERYIVNVYOF-GNZFURHMSA-N 0 3 317.458 3.125 20 30 DGEDHN CCCCC(=O)NC[C@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001753467712 1202266758 /nfs/dbraw/zinc/26/67/58/1202266758.db2.gz XRWWNBHEPQLSAO-KRWDZBQOSA-N 0 3 320.864 3.366 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001700418148 1202267561 /nfs/dbraw/zinc/26/75/61/1202267561.db2.gz RCRGBQMOOYUSLM-IRXDYDNUSA-N 0 3 312.457 3.123 20 30 DGEDHN CC[C@H](CNC(=O)C1(CC)CCC1)NCc1ccc(C#N)s1 ZINC001753485257 1202272241 /nfs/dbraw/zinc/27/22/41/1202272241.db2.gz WLAKWSKTPZTEMS-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCCCC(=O)N(C)C1CCC(NCc2cnc(C)o2)CC1 ZINC001700436811 1202272569 /nfs/dbraw/zinc/27/25/69/1202272569.db2.gz PPBSLGLBWGJIKF-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1ocnc1C ZINC001700445734 1202274653 /nfs/dbraw/zinc/27/46/53/1202274653.db2.gz RBMFRZDKDOAVBX-GOSISDBHSA-N 0 3 321.465 3.160 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001700482123 1202292248 /nfs/dbraw/zinc/29/22/48/1202292248.db2.gz XJXFHDSJNDGVGA-YJBOKZPZSA-N 0 3 315.461 3.321 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC001753589650 1202294475 /nfs/dbraw/zinc/29/44/75/1202294475.db2.gz IOPOMACGFMPLEV-SLFFLAALSA-N 0 3 324.468 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1 ZINC001753589729 1202294595 /nfs/dbraw/zinc/29/45/95/1202294595.db2.gz LCMXXXUWZHGJAU-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2CC(C(C)(C)C)C2)cc1 ZINC001753592253 1202295697 /nfs/dbraw/zinc/29/56/97/1202295697.db2.gz GLSWGQWVAKSDCZ-UHFFFAOYSA-N 0 3 312.457 3.098 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001700530191 1202306634 /nfs/dbraw/zinc/30/66/34/1202306634.db2.gz BBLNFAFHOPBZBY-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001700530192 1202306810 /nfs/dbraw/zinc/30/68/10/1202306810.db2.gz BBLNFAFHOPBZBY-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)C1=CCCC1 ZINC001753663137 1202308255 /nfs/dbraw/zinc/30/82/55/1202308255.db2.gz RHEATUDXFOGKRV-UHFFFAOYSA-N 0 3 322.452 3.167 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC(C)(C)CC(F)F)C(C)(C)C1 ZINC001700571984 1202316254 /nfs/dbraw/zinc/31/62/54/1202316254.db2.gz AWXXRJZCIHQZDQ-GFCCVEGCSA-N 0 3 302.409 3.071 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCc2scnc2C)CC1 ZINC001753711741 1202319325 /nfs/dbraw/zinc/31/93/25/1202319325.db2.gz WNGAQHYUEIIZKZ-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN CC(C)C[C@@H](CNCc1ccccc1Cl)NC(=O)[C@H](C)C#N ZINC001753732497 1202323821 /nfs/dbraw/zinc/32/38/21/1202323821.db2.gz ICHGKFWVMYYYJI-HIFRSBDPSA-N 0 3 321.852 3.120 20 30 DGEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)C ZINC001753740198 1202326187 /nfs/dbraw/zinc/32/61/87/1202326187.db2.gz BNPMPGNRRAWOES-GOSISDBHSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2cccnc2)CC(C)C)C1 ZINC001753741925 1202326303 /nfs/dbraw/zinc/32/63/03/1202326303.db2.gz HVQREFABCLCIFL-QGZVFWFLSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNCc1c(C)noc1C ZINC001700669226 1202331338 /nfs/dbraw/zinc/33/13/38/1202331338.db2.gz LZYLHVQNBPBFLQ-ZDUSSCGKSA-N 0 3 321.465 3.268 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001700675232 1202332197 /nfs/dbraw/zinc/33/21/97/1202332197.db2.gz CYRSQHDATYLYIP-STQMWFEESA-N 0 3 314.882 3.479 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)NCc1cc2ccccc2o1 ZINC001700749347 1202347899 /nfs/dbraw/zinc/34/78/99/1202347899.db2.gz OLNSFXNJPATIDS-OAHLLOKOSA-N 0 3 312.413 3.029 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CC1CCCC1 ZINC001700810887 1202354680 /nfs/dbraw/zinc/35/46/80/1202354680.db2.gz NNDHCJZRNSGVIM-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CC1CCCC1 ZINC001700810888 1202354712 /nfs/dbraw/zinc/35/47/12/1202354712.db2.gz NNDHCJZRNSGVIM-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001700841508 1202357910 /nfs/dbraw/zinc/35/79/10/1202357910.db2.gz MGTFCFHLVNXQQY-YJBOKZPZSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCCCC(=O)N[C@]12CCC[C@H]1N(C[C@H](F)CC)CC2 ZINC001700861399 1202361038 /nfs/dbraw/zinc/36/10/38/1202361038.db2.gz SHAIPBYNCVDWOW-NUJGCVRESA-N 0 3 308.441 3.041 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCc3ccccc3)CCC[C@@H]12 ZINC001700864134 1202361597 /nfs/dbraw/zinc/36/15/97/1202361597.db2.gz QYMUTGNWEQZHOO-CTNGQTDRSA-N 0 3 324.468 3.146 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCOCCCC)[C@@H]1C ZINC001700880955 1202364829 /nfs/dbraw/zinc/36/48/29/1202364829.db2.gz NPMASTYFNQPGIZ-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC001700882501 1202365290 /nfs/dbraw/zinc/36/52/90/1202365290.db2.gz ZIRDTQVFDBNEAK-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cccc(C)c2)[C@@H]1C ZINC001700883485 1202365770 /nfs/dbraw/zinc/36/57/70/1202365770.db2.gz ZBDTVUVFIJSTKQ-FUHWJXTLSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1ccccc1C)C(C)C ZINC001700974320 1202374153 /nfs/dbraw/zinc/37/41/53/1202374153.db2.gz YWXMGKNVPDVTCB-UHFFFAOYSA-N 0 3 302.462 3.282 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(OC)c1)C(C)C ZINC001700976273 1202375180 /nfs/dbraw/zinc/37/51/80/1202375180.db2.gz NAVYQJUFWNMLNT-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCc1ccsc1)C(C)C ZINC001700977126 1202375186 /nfs/dbraw/zinc/37/51/86/1202375186.db2.gz IYGOEGVPMQUHKY-UHFFFAOYSA-N 0 3 308.491 3.426 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001701011473 1202381114 /nfs/dbraw/zinc/38/11/14/1202381114.db2.gz PUZYJYZEIJYXGN-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001707045310 1202568451 /nfs/dbraw/zinc/56/84/51/1202568451.db2.gz CEQFBQXYXOZEHA-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC001707152468 1202574809 /nfs/dbraw/zinc/57/48/09/1202574809.db2.gz HMGWGZZECSIYQT-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC3CC3)C(C)(C)[C@@H]21 ZINC001707185700 1202575686 /nfs/dbraw/zinc/57/56/86/1202575686.db2.gz LBHIFNHHLRZYQA-BHIYHBOVSA-N 0 3 316.489 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC/C=C/c2ccccc2)[C@H]1CC ZINC001707200028 1202576029 /nfs/dbraw/zinc/57/60/29/1202576029.db2.gz CCEOMQJGDVQBMN-HQNNKSEMSA-N 0 3 324.468 3.472 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)[C@H]1C ZINC001707268977 1202579519 /nfs/dbraw/zinc/57/95/19/1202579519.db2.gz NBTAADWIFHCWPE-DAYGRLMNSA-N 0 3 318.436 3.474 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)C(F)(F)F ZINC001707276269 1202580128 /nfs/dbraw/zinc/58/01/28/1202580128.db2.gz WPAQDSGOPARGRH-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1CC(F)(F)C1 ZINC001707429196 1202584230 /nfs/dbraw/zinc/58/42/30/1202584230.db2.gz ARAYAQVERZNAGK-WCQYABFASA-N 0 3 320.811 3.143 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(C)o1 ZINC001707429580 1202584457 /nfs/dbraw/zinc/58/44/57/1202584457.db2.gz BKQCQOXEYIYIJW-HOCLYGCPSA-N 0 3 324.852 3.242 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCC(C)=C(C)C1)C1CC1 ZINC001713037541 1202611898 /nfs/dbraw/zinc/61/18/98/1202611898.db2.gz GGVIAGRQFXAFJH-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)CCCCC)CC1 ZINC001713097506 1202616687 /nfs/dbraw/zinc/61/66/87/1202616687.db2.gz UKGPGFHMGGDSGF-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H](CN(C)C[C@H](F)CC)C1 ZINC001713129726 1202620120 /nfs/dbraw/zinc/62/01/20/1202620120.db2.gz UYMJEPRKMPDGOB-IAGOWNOFSA-N 0 3 310.457 3.099 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001713142723 1202621714 /nfs/dbraw/zinc/62/17/14/1202621714.db2.gz FOQWWOKMLLSVKU-BHYGNILZSA-N 0 3 313.445 3.034 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)s1 ZINC001713144919 1202622011 /nfs/dbraw/zinc/62/20/11/1202622011.db2.gz HHBRZZLJHUSZTG-IYBDPMFKSA-N 0 3 318.486 3.240 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001713200522 1202626120 /nfs/dbraw/zinc/62/61/20/1202626120.db2.gz OYIOKCLSZONRDS-DAYGRLMNSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2cc(F)ccc2C)C1 ZINC001713211585 1202627311 /nfs/dbraw/zinc/62/73/11/1202627311.db2.gz MCWOSWAQDLGJKD-INIZCTEOSA-N 0 3 318.436 3.429 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001713277300 1202634626 /nfs/dbraw/zinc/63/46/26/1202634626.db2.gz GWAPVHZASJXEGG-ROUUACIJSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001713277298 1202634777 /nfs/dbraw/zinc/63/47/77/1202634777.db2.gz GWAPVHZASJXEGG-MSOLQXFVSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC001713397816 1202645075 /nfs/dbraw/zinc/64/50/75/1202645075.db2.gz NFINEKUYWHYKMF-MRXNPFEDSA-N 0 3 316.445 3.271 20 30 DGEDHN C=CCCC(=O)NCCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC001713447722 1202650986 /nfs/dbraw/zinc/65/09/86/1202650986.db2.gz FJFMUJYSWUFWSV-UHFFFAOYSA-N 0 3 302.462 3.498 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc(OC)c(C)c1 ZINC001713462882 1202653243 /nfs/dbraw/zinc/65/32/43/1202653243.db2.gz IYLNNCCMRJTCPF-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001713468347 1202654506 /nfs/dbraw/zinc/65/45/06/1202654506.db2.gz UOOREEJUFATUCA-AWEZNQCLSA-N 0 3 308.853 3.143 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001713516190 1202663799 /nfs/dbraw/zinc/66/37/99/1202663799.db2.gz IYPSMUUTJSYWDJ-PXNSSMCTSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001713519853 1202664401 /nfs/dbraw/zinc/66/44/01/1202664401.db2.gz JADZWQIVNCQRLN-SFHVURJKSA-N 0 3 312.457 3.102 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001713536541 1202666428 /nfs/dbraw/zinc/66/64/28/1202666428.db2.gz YYDFYWUQIRQLQV-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001713537848 1202666593 /nfs/dbraw/zinc/66/65/93/1202666593.db2.gz WFDWOJAPQJZNCU-AWEZNQCLSA-N 0 3 304.459 3.043 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC(C2CC2)C2CC2)C1 ZINC001713722961 1202682093 /nfs/dbraw/zinc/68/20/93/1202682093.db2.gz XZCXIULHGBMVJE-SFHVURJKSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCCC(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001713733907 1202683825 /nfs/dbraw/zinc/68/38/25/1202683825.db2.gz ADKXUVCTJQQLCN-FQEVSTJZSA-N 0 3 324.468 3.223 20 30 DGEDHN CC#CCN(CCCNC(=O)c1c(C)[nH]c2ccccc21)C1CC1 ZINC001713768971 1202688873 /nfs/dbraw/zinc/68/88/73/1202688873.db2.gz LIMPFERSKXPSET-UHFFFAOYSA-N 0 3 323.440 3.084 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC001713776856 1202689244 /nfs/dbraw/zinc/68/92/44/1202689244.db2.gz VHWBPWMZEVUQCH-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001713849491 1202695514 /nfs/dbraw/zinc/69/55/14/1202695514.db2.gz HNEPZGLEZBMGRW-HUUCEWRRSA-N 0 3 310.457 3.308 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC001713851421 1202695673 /nfs/dbraw/zinc/69/56/73/1202695673.db2.gz YRSCDZSSJVMTRP-IEBWSBKVSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccc1 ZINC001713912759 1202701607 /nfs/dbraw/zinc/70/16/07/1202701607.db2.gz KAUACYRNHMKFIE-OKZBNKHCSA-N 0 3 315.461 3.081 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001713933494 1202703522 /nfs/dbraw/zinc/70/35/22/1202703522.db2.gz YWEWMOFVMZDPDK-IRXDYDNUSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001713940758 1202703979 /nfs/dbraw/zinc/70/39/79/1202703979.db2.gz NNBBQNVDSWGEAR-CADBVGFASA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CCC ZINC001713940001 1202704051 /nfs/dbraw/zinc/70/40/51/1202704051.db2.gz ROIHCVKCZNOEFY-PMPSAXMXSA-N 0 3 316.445 3.486 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2ccc(C)cc2Cl)C1 ZINC001713947382 1202704733 /nfs/dbraw/zinc/70/47/33/1202704733.db2.gz KCUCQHVHQRWEKG-WKILWMFISA-N 0 3 318.848 3.189 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001713968149 1202710368 /nfs/dbraw/zinc/71/03/68/1202710368.db2.gz MRDDUSDTHHSDAX-GQEDJZSUSA-N 0 3 318.848 3.388 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001714000680 1202721934 /nfs/dbraw/zinc/72/19/34/1202721934.db2.gz GYLOLDPKCRVWOH-WMZOPIPTSA-N 0 3 322.493 3.223 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(CC(C)C)CCCC2)C1 ZINC001714017508 1202729696 /nfs/dbraw/zinc/72/96/96/1202729696.db2.gz BUGGARICFQTRKQ-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001714021758 1202731967 /nfs/dbraw/zinc/73/19/67/1202731967.db2.gz PNWOCTOZOJZUBQ-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN CC[C@H](CNC(=O)CCC1CCC1)NCC#Cc1ccccc1 ZINC001714067974 1202760698 /nfs/dbraw/zinc/76/06/98/1202760698.db2.gz VDCPVNNSUMILSM-LJQANCHMSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001714076501 1202763762 /nfs/dbraw/zinc/76/37/62/1202763762.db2.gz XBVMQJFWDVURHC-GOSISDBHSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)s2)CCCC1 ZINC001714126657 1202792497 /nfs/dbraw/zinc/79/24/97/1202792497.db2.gz QLLQRQGOMJTQNT-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#CC ZINC001714144008 1202800425 /nfs/dbraw/zinc/80/04/25/1202800425.db2.gz ISUJTOQGCDDRPU-ROUUACIJSA-N 0 3 302.462 3.212 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2CC(C)(C)C2)C1 ZINC001714154800 1202808202 /nfs/dbraw/zinc/80/82/02/1202808202.db2.gz ZNWJPDXDLUVEBY-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)c1ccco1)C1CC1 ZINC001714171877 1202814781 /nfs/dbraw/zinc/81/47/81/1202814781.db2.gz KYSCWPXUGVNEOT-WBMJQRKESA-N 0 3 310.825 3.010 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)c1ccco1)C1CC1 ZINC001714171876 1202815278 /nfs/dbraw/zinc/81/52/78/1202815278.db2.gz KYSCWPXUGVNEOT-MLGOLLRUSA-N 0 3 310.825 3.010 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](C)n2cccc2)C1 ZINC001714203498 1202829729 /nfs/dbraw/zinc/82/97/29/1202829729.db2.gz TXLKAIQEFPUKCK-HOTGVXAUSA-N 0 3 323.868 3.020 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001714215821 1202835860 /nfs/dbraw/zinc/83/58/60/1202835860.db2.gz XFCHOJQFCWRHLY-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001714229393 1202840625 /nfs/dbraw/zinc/84/06/25/1202840625.db2.gz MPWWLWBXTGOBAO-KGLIPLIRSA-N 0 3 322.399 3.314 20 30 DGEDHN CCCCC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001714390662 1202908768 /nfs/dbraw/zinc/90/87/68/1202908768.db2.gz KHPZGIUEQWAKHY-MSOLQXFVSA-N 0 3 313.445 3.265 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001714449234 1202940433 /nfs/dbraw/zinc/94/04/33/1202940433.db2.gz ZTKFPRZXNYCPBQ-FQEVSTJZSA-N 0 3 322.452 3.206 20 30 DGEDHN CC(C)=CC(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001714533674 1202982898 /nfs/dbraw/zinc/98/28/98/1202982898.db2.gz WXEYCVDXJOJFOK-OAHLLOKOSA-N 0 3 318.848 3.094 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CC1=CCCCC1 ZINC001714562905 1203005592 /nfs/dbraw/zinc/00/55/92/1203005592.db2.gz MXAIMQWUVOIULO-GOSISDBHSA-N 0 3 324.468 3.365 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(CF)cc1 ZINC001714584464 1203025587 /nfs/dbraw/zinc/02/55/87/1203025587.db2.gz QEVPALOXNJSAQF-UHFFFAOYSA-N 0 3 318.436 3.144 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001714592400 1203030938 /nfs/dbraw/zinc/03/09/38/1203030938.db2.gz WYFKIQWGLXOVRC-SXGWCWSVSA-N 0 3 311.429 3.019 20 30 DGEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C1(CC)CCCCC1 ZINC001714621527 1203056530 /nfs/dbraw/zinc/05/65/30/1203056530.db2.gz HLBGNTXCQUMODT-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001714645044 1203070497 /nfs/dbraw/zinc/07/04/97/1203070497.db2.gz QFNZQSPFCFRNEJ-HNNXBMFYSA-N 0 3 320.864 3.490 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001714644154 1203070615 /nfs/dbraw/zinc/07/06/15/1203070615.db2.gz KRDLXUMPBRZRSC-ROUUACIJSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN(CCNC(=O)CCc1ccc(C)cc1C)C1CC1 ZINC001714665907 1203088437 /nfs/dbraw/zinc/08/84/37/1203088437.db2.gz FQUAGFHBEHMJLA-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc2c(C)c(C)[nH]c21)C1CC1 ZINC001714668911 1203091245 /nfs/dbraw/zinc/09/12/45/1203091245.db2.gz JZAUDCPUJVSHFF-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CC2(CCC2)C1)c1ccccc1 ZINC001714835271 1203144718 /nfs/dbraw/zinc/14/47/18/1203144718.db2.gz CAVDLMLPUBCZJR-GOSISDBHSA-N 0 3 310.441 3.037 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CCC(F)(F)F)c1ccccc1 ZINC001714833558 1203144733 /nfs/dbraw/zinc/14/47/33/1203144733.db2.gz DZAXCNCCWIOHOK-CQSZACIVSA-N 0 3 314.351 3.352 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](CC)SC)c1ccccc1 ZINC001714837411 1203146066 /nfs/dbraw/zinc/14/60/66/1203146066.db2.gz RZEYOFXCXJXPQL-CVEARBPZSA-N 0 3 306.475 3.151 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc2occc2[nH]1)c1ccccc1 ZINC001714842693 1203148647 /nfs/dbraw/zinc/14/86/47/1203148647.db2.gz DHDHUBXHGSEBOI-MRXNPFEDSA-N 0 3 309.369 3.008 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cncc(F)c1)CC(C)C ZINC001714927266 1203203447 /nfs/dbraw/zinc/20/34/47/1203203447.db2.gz NWCFFSBABZFMGO-MRXNPFEDSA-N 0 3 321.440 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cc(C)ns1)CC(C)C ZINC001714925910 1203203982 /nfs/dbraw/zinc/20/39/82/1203203982.db2.gz GPNZQEJWNAHKJP-CQSZACIVSA-N 0 3 323.506 3.284 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001714984693 1203226541 /nfs/dbraw/zinc/22/65/41/1203226541.db2.gz DPSNUFZWLJMFCA-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C1CCC1)C1CCC1 ZINC001714989860 1203226945 /nfs/dbraw/zinc/22/69/45/1203226945.db2.gz KNNCMFBNYBPYEF-ROUUACIJSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C(C)C ZINC001714992676 1203228006 /nfs/dbraw/zinc/22/80/06/1203228006.db2.gz RLFVRJOSUUBSPQ-IKGGRYGDSA-N 0 3 315.461 3.322 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001715028582 1203243558 /nfs/dbraw/zinc/24/35/58/1203243558.db2.gz MPRMMAKIXBVBNL-INIZCTEOSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cc(F)ccc2F)C1 ZINC001715040278 1203249433 /nfs/dbraw/zinc/24/94/33/1203249433.db2.gz CNUKXKPQZQOPCF-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc(C)s2)C1 ZINC001715041132 1203250082 /nfs/dbraw/zinc/25/00/82/1203250082.db2.gz AMXWQUNECRULHV-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccccc2Cl)C1 ZINC001715043624 1203251116 /nfs/dbraw/zinc/25/11/16/1203251116.db2.gz FUGAURJDOFKMKU-INIZCTEOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1ccncc1Cl)C1CC1 ZINC001715104377 1203274038 /nfs/dbraw/zinc/27/40/38/1203274038.db2.gz GYLABRZSWNGTMH-QGZVFWFLSA-N 0 3 321.852 3.076 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 ZINC001715195452 1203293447 /nfs/dbraw/zinc/29/34/47/1203293447.db2.gz DGLOTNBTWFGOKK-AZUAARDMSA-N 0 3 312.457 3.098 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2c(C)noc2C)CCCC1 ZINC001715299910 1203309937 /nfs/dbraw/zinc/30/99/37/1203309937.db2.gz SAPKCAUOPOBKFT-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C#CCCCC(=O)NC[C@H](NCc1ccccc1Cl)C(C)C ZINC001715496314 1203352398 /nfs/dbraw/zinc/35/23/98/1203352398.db2.gz SJQKDOAWSKRBKI-KRWDZBQOSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)C(C)(CC)CC ZINC001715709940 1203382932 /nfs/dbraw/zinc/38/29/32/1203382932.db2.gz XQFJFSZCOAVTIU-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C(C)(CC)CC ZINC001715709937 1203382936 /nfs/dbraw/zinc/38/29/36/1203382936.db2.gz XQFJFSZCOAVTIU-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(OCC)cc1)C(C)C ZINC001715715879 1203384076 /nfs/dbraw/zinc/38/40/76/1203384076.db2.gz XEWVVRWVYMHUFO-MRXNPFEDSA-N 0 3 324.852 3.182 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001715840456 1203396844 /nfs/dbraw/zinc/39/68/44/1203396844.db2.gz JGBVPTAFQJSSIG-UHFFFAOYSA-N 0 3 306.425 3.403 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)nn1C(CC)CC ZINC001715873016 1203399984 /nfs/dbraw/zinc/39/99/84/1203399984.db2.gz PUCSGEMGTLVANN-UHFFFAOYSA-N 0 3 320.481 3.133 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](CC)Oc1ccccc1C ZINC001715958029 1203411153 /nfs/dbraw/zinc/41/11/53/1203411153.db2.gz MKMUCBRZCLISIA-KRWDZBQOSA-N 0 3 318.461 3.119 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c(C)c1 ZINC001715958286 1203411308 /nfs/dbraw/zinc/41/13/08/1203411308.db2.gz QHXJDGZNJZMOKR-GOSISDBHSA-N 0 3 320.436 3.063 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001715966475 1203413192 /nfs/dbraw/zinc/41/31/92/1203413192.db2.gz IZTXZXWERDRSDA-HVJNQHDOSA-N 0 3 318.848 3.142 20 30 DGEDHN Cc1ccc(CN(C)C[C@H](C)NC(=O)C#CC(C)(C)C)cc1F ZINC001716028916 1203428572 /nfs/dbraw/zinc/42/85/72/1203428572.db2.gz LZNYQMISULFGJN-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716038702 1203431845 /nfs/dbraw/zinc/43/18/45/1203431845.db2.gz OCEYDGGGNQVVOQ-JKSUJKDBSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1ncc(C)s1 ZINC001716067833 1203438572 /nfs/dbraw/zinc/43/85/72/1203438572.db2.gz RVORNRCLHMUXHO-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2c(c1)CCC=C2 ZINC001716187808 1203447565 /nfs/dbraw/zinc/44/75/65/1203447565.db2.gz RKMPGCRQPNODRY-AWEZNQCLSA-N 0 3 318.848 3.497 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001716200050 1203448284 /nfs/dbraw/zinc/44/82/84/1203448284.db2.gz LVIMTODQOHZSOA-UHOFOFEASA-N 0 3 324.827 3.166 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C12CCC(CC1)CC2 ZINC001716424908 1203470929 /nfs/dbraw/zinc/47/09/29/1203470929.db2.gz YDQJOQQFSFPHJO-FQVISZRSSA-N 0 3 324.468 3.103 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC001716479146 1203484950 /nfs/dbraw/zinc/48/49/50/1203484950.db2.gz ZJOQSYILDDBGOC-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CCCc1cc(C)sc1C ZINC001716507886 1203496041 /nfs/dbraw/zinc/49/60/41/1203496041.db2.gz HMGGHWYYOBSZRP-ZDUSSCGKSA-N 0 3 308.491 3.310 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nccs2)[C@H](CC)C1 ZINC001716634573 1203510104 /nfs/dbraw/zinc/51/01/04/1203510104.db2.gz CKJFATVYPGGJTI-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001716664796 1203518427 /nfs/dbraw/zinc/51/84/27/1203518427.db2.gz ZDSTVXPZUWUGTA-ZWKOTPCHSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001716670407 1203520789 /nfs/dbraw/zinc/52/07/89/1203520789.db2.gz FDROIZZNAXXTKR-YXOSVLIBSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(CC#CC)C1 ZINC001716706374 1203529295 /nfs/dbraw/zinc/52/92/95/1203529295.db2.gz OFWYWIXKBWGHKQ-QZTJIDSGSA-N 0 3 316.489 3.315 20 30 DGEDHN CCCCCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001716708930 1203529743 /nfs/dbraw/zinc/52/97/43/1203529743.db2.gz ACNBRMHWRZKAEG-KGLIPLIRSA-N 0 3 302.409 3.287 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001716725720 1203532598 /nfs/dbraw/zinc/53/25/98/1203532598.db2.gz YHMUWZGYVTWMDW-WMZOPIPTSA-N 0 3 310.457 3.405 20 30 DGEDHN CC1(C)CC(C(=O)N2CCC[C@H]2CNCC#Cc2ccccc2)C1 ZINC001716776375 1203541194 /nfs/dbraw/zinc/54/11/94/1203541194.db2.gz BJLSAWHSOYEJRI-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001716782683 1203541950 /nfs/dbraw/zinc/54/19/50/1203541950.db2.gz MWPJDSAXPATWHA-KRWDZBQOSA-N 0 3 316.420 3.100 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)C1CC1)C1CCN(CC=C(C)C)CC1 ZINC001716812680 1203545870 /nfs/dbraw/zinc/54/58/70/1203545870.db2.gz OYVSJZFNBNTSQI-KRWDZBQOSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cccnc1)C1CCCC1 ZINC001716817310 1203547340 /nfs/dbraw/zinc/54/73/40/1203547340.db2.gz ILSCBPIQPWSXSY-GOSISDBHSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001716846928 1203553938 /nfs/dbraw/zinc/55/39/38/1203553938.db2.gz XBDHHEHWWDPXJW-HXUWFJFHSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001716849125 1203555042 /nfs/dbraw/zinc/55/50/42/1203555042.db2.gz RIQLZKRCAYSFCS-MJGOQNOKSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](C)CCC)C2)CC1 ZINC001716953406 1203569025 /nfs/dbraw/zinc/56/90/25/1203569025.db2.gz ZCWFHGFOJXILIN-HKUYNNGSSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)CC)c1ccccc1CC ZINC001716954519 1203569441 /nfs/dbraw/zinc/56/94/41/1203569441.db2.gz XSRDUOQTWZQBJA-MAUKXSAKSA-N 0 3 300.446 3.065 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C=C1CCC1)c1ccccc1CC ZINC001716954476 1203569602 /nfs/dbraw/zinc/56/96/02/1203569602.db2.gz WPPWASIVQLYHFG-IBGZPJMESA-N 0 3 310.441 3.130 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001717005689 1203576849 /nfs/dbraw/zinc/57/68/49/1203576849.db2.gz KRWPCUMVEIJLPX-VAMGGRTRSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CCNCc2ccncc2Cl)C1 ZINC001717074076 1203582520 /nfs/dbraw/zinc/58/25/20/1203582520.db2.gz JSULEHIKJUMSMU-AWEZNQCLSA-N 0 3 321.852 3.029 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(CC)CC)cc1 ZINC001717117534 1203587032 /nfs/dbraw/zinc/58/70/32/1203587032.db2.gz VIJLUKFMLFRSGG-HNNXBMFYSA-N 0 3 300.446 3.413 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001717122207 1203587869 /nfs/dbraw/zinc/58/78/69/1203587869.db2.gz CFFAVCJWRAZBLP-JYJNAYRXSA-N 0 3 319.449 3.042 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](CC)CC2CCCCC2)CCC1 ZINC001717158995 1203593280 /nfs/dbraw/zinc/59/32/80/1203593280.db2.gz QGQYBWBGDFPLAQ-KRWDZBQOSA-N 0 3 304.478 3.245 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001717200877 1203598891 /nfs/dbraw/zinc/59/88/91/1203598891.db2.gz OZNQTRYXUHJMFY-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C/C=C/c1ccc(C)cc1 ZINC001717215292 1203605405 /nfs/dbraw/zinc/60/54/05/1203605405.db2.gz FFELNMGBGSWRKR-VQHVLOKHSA-N 0 3 312.457 3.202 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CCC)C(C)C)C2 ZINC001717248050 1203609868 /nfs/dbraw/zinc/60/98/68/1203609868.db2.gz TZQPDQOZDFTIJH-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)CC(C)C)C2 ZINC001717248349 1203610042 /nfs/dbraw/zinc/61/00/42/1203610042.db2.gz XVLNUNMSUIICAG-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)CCC)C2 ZINC001717248026 1203610164 /nfs/dbraw/zinc/61/01/64/1203610164.db2.gz SWNHVBPLXCNCOC-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCC2CCCC2)C(C)(C)C1 ZINC001717305231 1203616043 /nfs/dbraw/zinc/61/60/43/1203616043.db2.gz FUTTZODFZVNTBF-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001717356460 1203624512 /nfs/dbraw/zinc/62/45/12/1203624512.db2.gz ZFFQOQMHHSVIKI-SJLPKXTDSA-N 0 3 324.896 3.490 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(CC)CC ZINC001717361155 1203625325 /nfs/dbraw/zinc/62/53/25/1203625325.db2.gz GEHPYMGLMZLKEX-IAGOWNOFSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363495 1203625515 /nfs/dbraw/zinc/62/55/15/1203625515.db2.gz JVBLEQBPWLLGPG-HOTGVXAUSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363495 1203625516 /nfs/dbraw/zinc/62/55/16/1203625516.db2.gz JVBLEQBPWLLGPG-HOTGVXAUSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1CCCCCC1 ZINC001717363601 1203626286 /nfs/dbraw/zinc/62/62/86/1203626286.db2.gz LZPIEKHWZVOFJH-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363496 1203626289 /nfs/dbraw/zinc/62/62/89/1203626289.db2.gz JVBLEQBPWLLGPG-HZPDHXFCSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001717363496 1203626290 /nfs/dbraw/zinc/62/62/90/1203626290.db2.gz JVBLEQBPWLLGPG-HZPDHXFCSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1c(Cl)cccc1Cl ZINC001717496558 1203666116 /nfs/dbraw/zinc/66/61/16/1203666116.db2.gz LUIZGYMPDMWGGF-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717398416 1203636189 /nfs/dbraw/zinc/63/61/89/1203636189.db2.gz DXSJNUNXVIADRS-KGLIPLIRSA-N 0 3 319.424 3.116 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1cnc(C)s1 ZINC001717409492 1203638297 /nfs/dbraw/zinc/63/82/97/1203638297.db2.gz ORTQVUXZFGHJPI-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001717501632 1203668001 /nfs/dbraw/zinc/66/80/01/1203668001.db2.gz QUYNAKJXLHWVPD-KBPBESRZSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001717540775 1203677739 /nfs/dbraw/zinc/67/77/39/1203677739.db2.gz SESIMXVTRQUFPC-CVEARBPZSA-N 0 3 304.434 3.005 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001717540777 1203677779 /nfs/dbraw/zinc/67/77/79/1203677779.db2.gz SESIMXVTRQUFPC-HZPDHXFCSA-N 0 3 304.434 3.005 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(CCCc2ccsc2)C1 ZINC001717554441 1203680378 /nfs/dbraw/zinc/68/03/78/1203680378.db2.gz CHWJHYKUBQVGPH-AWEZNQCLSA-N 0 3 320.502 3.329 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001717580035 1203684847 /nfs/dbraw/zinc/68/48/47/1203684847.db2.gz MWGVAHQYFMODHA-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCc2ccsc2)C(C)(C)C1 ZINC001717582256 1203685697 /nfs/dbraw/zinc/68/56/97/1203685697.db2.gz FOSKPXBBZMSPLD-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN CC(C)[C@H](C)C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001717687524 1203698850 /nfs/dbraw/zinc/69/88/50/1203698850.db2.gz YSQGIYJKESMPIG-HOTGVXAUSA-N 0 3 315.461 3.225 20 30 DGEDHN CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001717738034 1203707198 /nfs/dbraw/zinc/70/71/98/1203707198.db2.gz FFGWAALTDFLPAK-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](CCC)c1ccccc1 ZINC001717755113 1203711372 /nfs/dbraw/zinc/71/13/72/1203711372.db2.gz YNXMIZLUXHUGRY-AEFFLSMTSA-N 0 3 300.446 3.030 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001717798544 1203713837 /nfs/dbraw/zinc/71/38/37/1203713837.db2.gz PTRLRLMEUFPYGS-PBHICJAKSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc(F)cc(F)c2)C[C@H]1C ZINC001717808012 1203714915 /nfs/dbraw/zinc/71/49/15/1203714915.db2.gz HIGPUXLGBJDXCP-WBMJQRKESA-N 0 3 308.372 3.010 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccnc(Cl)c2)C[C@@H]1C ZINC001717814488 1203715845 /nfs/dbraw/zinc/71/58/45/1203715845.db2.gz YONNIMVQISLWCM-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CC3(C)CCCCC3)CCC[C@@H]12 ZINC001717838292 1203719298 /nfs/dbraw/zinc/71/92/98/1203719298.db2.gz SVTXGHUZYTXFIT-XLIONFOSSA-N 0 3 316.489 3.483 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H]1C ZINC001717854799 1203722039 /nfs/dbraw/zinc/72/20/39/1203722039.db2.gz YVZPURVCILVSRZ-CHWSQXEVSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C(F)F)CCCC2)[C@@H]1C ZINC001717855515 1203722802 /nfs/dbraw/zinc/72/28/02/1203722802.db2.gz HPWVFMUVVRYWLM-KBPBESRZSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(C)cc2C)[C@@H]1C ZINC001717855751 1203722915 /nfs/dbraw/zinc/72/29/15/1203722915.db2.gz JVIFSYIGEYVBOE-HKUYNNGSSA-N 0 3 314.473 3.391 20 30 DGEDHN C#CCCCC(=O)N(CCN(C)Cc1cccc(C)c1)C(C)C ZINC001717946766 1203732080 /nfs/dbraw/zinc/73/20/80/1203732080.db2.gz FIVRACXSJJAFOO-UHFFFAOYSA-N 0 3 314.473 3.467 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)c1cccc(C)c1)C(C)C ZINC001717951315 1203733583 /nfs/dbraw/zinc/73/35/83/1203733583.db2.gz OYYYBKANDJDUBZ-SFHVURJKSA-N 0 3 314.473 3.291 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC001717979948 1203739295 /nfs/dbraw/zinc/73/92/95/1203739295.db2.gz QPWHQRNJKCSCCR-OXQOHEQNSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(CC=C)CCCCC2)CC1 ZINC001717980681 1203739613 /nfs/dbraw/zinc/73/96/13/1203739613.db2.gz HNXIWNDISHQSOM-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001717994308 1203741604 /nfs/dbraw/zinc/74/16/04/1203741604.db2.gz ZRZKMNLECPGREH-GRTSSRMGSA-N 0 3 300.874 3.390 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)[C@H](C)CC)CC2)CC1 ZINC001718004627 1203742940 /nfs/dbraw/zinc/74/29/40/1203742940.db2.gz YZPATICKYACIPL-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(CCc3ccccc3)CC2)CC1 ZINC001718035935 1203745415 /nfs/dbraw/zinc/74/54/15/1203745415.db2.gz VPGHVLRUKPYWFI-UHFFFAOYSA-N 0 3 324.468 3.334 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cccc(C)c1Cl ZINC001723441578 1203972097 /nfs/dbraw/zinc/97/20/97/1203972097.db2.gz MRDLLPNJLMJTBT-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001723457821 1203974798 /nfs/dbraw/zinc/97/47/98/1203974798.db2.gz NCRCQZSAFVKRGO-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1c(C)oc2ccccc21 ZINC001723481504 1203977573 /nfs/dbraw/zinc/97/75/73/1203977573.db2.gz CORAPISOODUWGT-OAHLLOKOSA-N 0 3 312.413 3.050 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001723546231 1203981663 /nfs/dbraw/zinc/98/16/63/1203981663.db2.gz MCVFKPGVVWDVDF-UHFFFAOYSA-N 0 3 318.848 3.272 20 30 DGEDHN C=C(C)CN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC(C)=O)C1 ZINC001723610141 1203985390 /nfs/dbraw/zinc/98/53/90/1203985390.db2.gz ZJRFJJKEJHTEAL-MSOLQXFVSA-N 0 3 320.477 3.025 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H](C)CCC=C(C)C)C2)C1 ZINC001723721921 1203990301 /nfs/dbraw/zinc/99/03/01/1203990301.db2.gz QYIKJRVPFBZVAV-UYAOXDASSA-N 0 3 316.489 3.317 20 30 DGEDHN CCCC(=O)N1CCC[C@H]1CNCC#Cc1ccc(Cl)cc1 ZINC001723877026 1203997446 /nfs/dbraw/zinc/99/74/46/1203997446.db2.gz SEKHTHOUDRMCJF-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN C#CCN(C(=O)Cc1ccccc1C)C1CCN(CC(=C)C)CC1 ZINC001724065244 1204002565 /nfs/dbraw/zinc/00/25/65/1204002565.db2.gz QKRWHIUMETVIAE-UHFFFAOYSA-N 0 3 324.468 3.040 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCCCCC)C2 ZINC001724125074 1204006225 /nfs/dbraw/zinc/00/62/25/1204006225.db2.gz AHEKBSCTBXILPQ-LJQANCHMSA-N 0 3 304.478 3.295 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001724174462 1204011288 /nfs/dbraw/zinc/01/12/88/1204011288.db2.gz QFOONOZHECWWAU-CXAGYDPISA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001724190593 1204013561 /nfs/dbraw/zinc/01/35/61/1204013561.db2.gz PLQYINASCMVLGR-HXUWFJFHSA-N 0 3 308.425 3.149 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001724191112 1204013683 /nfs/dbraw/zinc/01/36/83/1204013683.db2.gz SLYXUFRYIVGQHJ-ACJLOTCBSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCC(=O)N1CC[C@](C)(CNCc2nc(C)sc2C)C1 ZINC001724201988 1204014445 /nfs/dbraw/zinc/01/44/45/1204014445.db2.gz YMZQWCKFEQQFCH-QGZVFWFLSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C(C)CCC(=O)NCC1(C)CCN(Cc2ccccn2)CC1 ZINC001724285253 1204017897 /nfs/dbraw/zinc/01/78/97/1204017897.db2.gz ITSSBIDOZUURGO-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001724321553 1204021619 /nfs/dbraw/zinc/02/16/19/1204021619.db2.gz JZLGKPFAZNEAED-QKLQHJQFSA-N 0 3 318.505 3.300 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001724603474 1204031981 /nfs/dbraw/zinc/03/19/81/1204031981.db2.gz UJQOXZYVFTYLKA-JWHDQYKWSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001724689355 1204037994 /nfs/dbraw/zinc/03/79/94/1204037994.db2.gz HWNWSYOHDRNFTI-CYBMUJFWSA-N 0 3 312.866 3.251 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C)oc1C ZINC001724736382 1204041324 /nfs/dbraw/zinc/04/13/24/1204041324.db2.gz DFADOJYYDVDJJZ-UHFFFAOYSA-N 0 3 312.413 3.444 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001724833080 1204050963 /nfs/dbraw/zinc/05/09/63/1204050963.db2.gz NKPKZHZHPAPMIA-INIZCTEOSA-N 0 3 304.409 3.263 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001724864564 1204060625 /nfs/dbraw/zinc/06/06/25/1204060625.db2.gz UGXQTNYQZHIWME-MSOLQXFVSA-N 0 3 322.468 3.100 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC=C)C1 ZINC001724865318 1204060676 /nfs/dbraw/zinc/06/06/76/1204060676.db2.gz FCQLHBMAWAXKLE-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C/CC)C1 ZINC001724865098 1204060838 /nfs/dbraw/zinc/06/08/38/1204060838.db2.gz VPBUPAWAKMRMSQ-AQXMTDBDSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCC(=O)N1CCC(CC)(NCc2nc(C)cs2)CC1 ZINC001724882270 1204061797 /nfs/dbraw/zinc/06/17/97/1204061797.db2.gz KVJXQIXDJICUPI-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CCC(C)(C)C)C2 ZINC001724901547 1204065336 /nfs/dbraw/zinc/06/53/36/1204065336.db2.gz SLQMRRSYFMPGPE-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001724900953 1204065667 /nfs/dbraw/zinc/06/56/67/1204065667.db2.gz ZYYGVHZNBUDSRH-VQIMIIECSA-N 0 3 314.473 3.398 20 30 DGEDHN C[C@@H]1CN(C(=O)CC2CCCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001724936788 1204067707 /nfs/dbraw/zinc/06/77/07/1204067707.db2.gz YOTCTHCEFMTLSY-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2cccs2)C(C)(C)C1 ZINC001724968799 1204073302 /nfs/dbraw/zinc/07/33/02/1204073302.db2.gz DVSDXPLGPPNNBB-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2(C)CCC2)CC1 ZINC001725027083 1204081457 /nfs/dbraw/zinc/08/14/57/1204081457.db2.gz PVKXQMJWAAVOJS-UHFFFAOYSA-N 0 3 312.885 3.490 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@](C)(F)CCCC ZINC001725032201 1204081926 /nfs/dbraw/zinc/08/19/26/1204081926.db2.gz JFBLVCQESLYYGM-ZHALLVOQSA-N 0 3 318.436 3.463 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C)=C(C)C ZINC001725033354 1204082586 /nfs/dbraw/zinc/08/25/86/1204082586.db2.gz VVYGBXUYULGIMX-UYAOXDASSA-N 0 3 310.441 3.128 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C)sc2C)C1 ZINC001725064491 1204088591 /nfs/dbraw/zinc/08/85/91/1204088591.db2.gz LXAUEYBFGMEYKH-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)o1 ZINC001725091285 1204092753 /nfs/dbraw/zinc/09/27/53/1204092753.db2.gz OAAHVERVZVVCKT-SJORKVTESA-N 0 3 324.424 3.045 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)[C@@H](C)CC ZINC001725145196 1204102840 /nfs/dbraw/zinc/10/28/40/1204102840.db2.gz AMNLLYQXBSXSLR-JSGCOSHPSA-N 0 3 302.890 3.495 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCc1ccccc1F ZINC001725169527 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CC(C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C)=C1CCC1 ZINC001725589655 1204173697 /nfs/dbraw/zinc/17/36/97/1204173697.db2.gz XYHINYRAWRNZIQ-OXQOHEQNSA-N 0 3 322.452 3.118 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC3CCCCC3)CCC[C@H]12 ZINC001725628080 1204185512 /nfs/dbraw/zinc/18/55/12/1204185512.db2.gz LOWMIFXMGNLHNC-AZUAARDMSA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2sc(C)nc2C)C(C)(C)C1 ZINC001725658471 1204193802 /nfs/dbraw/zinc/19/38/02/1204193802.db2.gz SNSIJNPRAGUDLW-OAHLLOKOSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001725774923 1204219321 /nfs/dbraw/zinc/21/93/21/1204219321.db2.gz HIUXUYINBBZMQE-YJBOKZPZSA-N 0 3 322.468 3.145 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(C)C=C)CC[C@@H]1C(F)(F)F ZINC001725779774 1204220333 /nfs/dbraw/zinc/22/03/33/1204220333.db2.gz FUTNXYJOBLNHJW-QWHCGFSZSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2ccc3c(c2)CCCC3)CC1 ZINC001725829948 1204228516 /nfs/dbraw/zinc/22/85/16/1204228516.db2.gz KOFBAYQWSCHBPG-UHFFFAOYSA-N 0 3 324.468 3.042 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001731288284 1204363366 /nfs/dbraw/zinc/36/33/66/1204363366.db2.gz COMSRUYJADDPID-KGLIPLIRSA-N 0 3 310.825 3.313 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001731336359 1204376798 /nfs/dbraw/zinc/37/67/98/1204376798.db2.gz IHXVJKOGVCCGFL-QFBILLFUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc2cc(C)ccc2[nH]1)C1CC1 ZINC001731335824 1204376821 /nfs/dbraw/zinc/37/68/21/1204376821.db2.gz OHDQNGWXTSQYKS-UHFFFAOYSA-N 0 3 323.440 3.084 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001731374801 1204386558 /nfs/dbraw/zinc/38/65/58/1204386558.db2.gz IARJBJSFIROIHR-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001731382300 1204390091 /nfs/dbraw/zinc/39/00/91/1204390091.db2.gz AZDUNOQKUPDNEF-VZUFXWRPSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)COC2CCCCC2)CC1 ZINC001731385767 1204391580 /nfs/dbraw/zinc/39/15/80/1204391580.db2.gz IZAGDECFLWXNPU-UHFFFAOYSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)COC ZINC001731427381 1204409658 /nfs/dbraw/zinc/40/96/58/1204409658.db2.gz PRKUJVDIGMOGST-CALCHBBNSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001731487955 1204428573 /nfs/dbraw/zinc/42/85/73/1204428573.db2.gz JSDGMZRAKXCLNK-BBWFWOEESA-N 0 3 320.864 3.416 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001731504377 1204437275 /nfs/dbraw/zinc/43/72/75/1204437275.db2.gz POQVBHUKKUCUIP-CYBMUJFWSA-N 0 3 320.399 3.369 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001731507035 1204438244 /nfs/dbraw/zinc/43/82/44/1204438244.db2.gz PNSMMUJVBLLNIS-QGZVFWFLSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001731534640 1204446729 /nfs/dbraw/zinc/44/67/29/1204446729.db2.gz RRHNHPICKYFODD-GOSISDBHSA-N 0 3 320.477 3.050 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001731541975 1204452580 /nfs/dbraw/zinc/45/25/80/1204452580.db2.gz IXLNOAQTAMAPJW-MJGOQNOKSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001731555600 1204459484 /nfs/dbraw/zinc/45/94/84/1204459484.db2.gz UQFJYSHGXKEOTM-ZVYLKZBJSA-N 0 3 310.869 3.149 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001731557615 1204460435 /nfs/dbraw/zinc/46/04/35/1204460435.db2.gz HBHSFQAEAYKFGU-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCCC(=O)NC1CCC(NCc2oc(C)nc2C)CC1 ZINC001731574058 1204467858 /nfs/dbraw/zinc/46/78/58/1204467858.db2.gz LPUUQLSWBMSPLQ-UHFFFAOYSA-N 0 3 319.449 3.165 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001731611762 1204482106 /nfs/dbraw/zinc/48/21/06/1204482106.db2.gz QHDFZOPRHLFPBB-CYBMUJFWSA-N 0 3 308.853 3.455 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001731669837 1204499762 /nfs/dbraw/zinc/49/97/62/1204499762.db2.gz WXTLNCJARSVSHP-BFTHVDOESA-N 0 3 317.260 3.100 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2cccnc2c1 ZINC001731737267 1204529874 /nfs/dbraw/zinc/52/98/74/1204529874.db2.gz YSFNJSKVKZBBGT-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001731812729 1204579412 /nfs/dbraw/zinc/57/94/12/1204579412.db2.gz KJNYETCRUDNAQX-HOTGVXAUSA-N 0 3 315.461 3.179 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001731853969 1204602614 /nfs/dbraw/zinc/60/26/14/1204602614.db2.gz BJURWCLVVQUZNY-RTBURBONSA-N 0 3 318.505 3.300 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(CC(C)C)cc1)C1CC1 ZINC001731885344 1204624214 /nfs/dbraw/zinc/62/42/14/1204624214.db2.gz IRTRSSXHUJTDDQ-UHFFFAOYSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)CCNC/C=C\Cl)c1ccccc1 ZINC001731986478 1204640397 /nfs/dbraw/zinc/64/03/97/1204640397.db2.gz QNPGPFVFHMRXOK-XMELGKRDSA-N 0 3 306.837 3.147 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)C#N)c1ccc(C(C)C)cc1 ZINC001732018184 1204650498 /nfs/dbraw/zinc/65/04/98/1204650498.db2.gz SZFZLAJYDIRPIT-MAUKXSAKSA-N 0 3 313.445 3.293 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001732073316 1204679416 /nfs/dbraw/zinc/67/94/16/1204679416.db2.gz PLVYSLIVPJDWJM-MLBQELRYSA-N 0 3 310.869 3.288 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)c2ccco2)C1 ZINC001732078466 1204683693 /nfs/dbraw/zinc/68/36/93/1204683693.db2.gz SUXQRRVBEQXENV-CVEARBPZSA-N 0 3 304.434 3.272 20 30 DGEDHN C=C[C@H](CC(=O)NCC1CN(CC[C@H](C)F)C1)c1ccccc1 ZINC001732139227 1204710193 /nfs/dbraw/zinc/71/01/93/1204710193.db2.gz WRRDHCUXPYXOJI-DOTOQJQBSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001732143131 1204711477 /nfs/dbraw/zinc/71/14/77/1204711477.db2.gz OXDYMENDHHXHDV-LUKYLMHMSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(F)(F)C1 ZINC001732142748 1204711904 /nfs/dbraw/zinc/71/19/04/1204711904.db2.gz XFHKEWCZBINOMP-GJZGRUSLSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001732142599 1204712273 /nfs/dbraw/zinc/71/22/73/1204712273.db2.gz IFEPFTWVHLZLDL-IKGGRYGDSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001732147855 1204714652 /nfs/dbraw/zinc/71/46/52/1204714652.db2.gz ZCOBHQMDNGASTA-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001732163104 1204720692 /nfs/dbraw/zinc/72/06/92/1204720692.db2.gz NZJDPVHCZDPFOE-SHCNBLLESA-N 0 3 316.420 3.338 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H](CC)NCc1cccnc1)c1ccccc1 ZINC001732222314 1204758425 /nfs/dbraw/zinc/75/84/25/1204758425.db2.gz GQBUJJDZHZINOU-RBUKOAKNSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H]1C=CCCC1)C1CC1 ZINC001732245682 1204769054 /nfs/dbraw/zinc/76/90/54/1204769054.db2.gz OSUMZDKRFUQJJV-WMLDXEAASA-N 0 3 310.869 3.360 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001732280716 1204778479 /nfs/dbraw/zinc/77/84/79/1204778479.db2.gz LWUGQIIJTODTJF-RLHAVTDZSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC001732317428 1204789344 /nfs/dbraw/zinc/78/93/44/1204789344.db2.gz ISWJDHASMDFQKX-QZTJIDSGSA-N 0 3 312.457 3.098 20 30 DGEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)/C=C/C(C)(C)C ZINC001732336099 1204797095 /nfs/dbraw/zinc/79/70/95/1204797095.db2.gz CPPSRNRAGMQAPM-BOLDSZDNSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl)CCC1 ZINC001732362999 1204805757 /nfs/dbraw/zinc/80/57/57/1204805757.db2.gz SASVQMPRWZZJJP-OEMOTLHWSA-N 0 3 319.276 3.394 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@]23C[C@@H]2CCCC3)CCCC1 ZINC001732398012 1204820379 /nfs/dbraw/zinc/82/03/79/1204820379.db2.gz CVXZHKHTTLTYOK-YOEHRIQHSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001732512921 1204877118 /nfs/dbraw/zinc/87/71/18/1204877118.db2.gz SYHBAHPHZWETNG-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccnc(C2CC2)c1)C(C)C ZINC001732559588 1204896618 /nfs/dbraw/zinc/89/66/18/1204896618.db2.gz BRKZAVUIJSGCOB-MRXNPFEDSA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCC2(CC2)C1)C(C)C ZINC001732563335 1204898025 /nfs/dbraw/zinc/89/80/25/1204898025.db2.gz RGDJDQCIOHFRDG-GJZGRUSLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1c(C)cccc1Cl ZINC001732586994 1204910287 /nfs/dbraw/zinc/91/02/87/1204910287.db2.gz RQMSXIHOBBVRIN-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)c(Cl)c1F ZINC001732588543 1204911208 /nfs/dbraw/zinc/91/12/08/1204911208.db2.gz RYXWTMLNQNJXHI-UHFFFAOYSA-N 0 3 312.816 3.367 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC001732595591 1204916600 /nfs/dbraw/zinc/91/66/00/1204916600.db2.gz UIIZDQWDADLGFZ-GOSISDBHSA-N 0 3 302.462 3.393 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001732598630 1204918036 /nfs/dbraw/zinc/91/80/36/1204918036.db2.gz WQOZPHURIIVHCH-UHFFFAOYSA-N 0 3 304.415 3.198 20 30 DGEDHN CCC(CC)C(=O)N(CC)CCNCc1ccc(F)c(C#N)c1 ZINC001732763013 1204940545 /nfs/dbraw/zinc/94/05/45/1204940545.db2.gz OCNKLVZPCGIALL-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCC(=O)NC/C=C\CN[C@H]1CCc2c1cccc2F ZINC001732830489 1204950056 /nfs/dbraw/zinc/95/00/56/1204950056.db2.gz MDZCCJWYGIQNGN-CHYADLBTSA-N 0 3 302.393 3.041 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001732857272 1204952573 /nfs/dbraw/zinc/95/25/73/1204952573.db2.gz YOIPJJPZKXJKRS-ONEGZZNKSA-N 0 3 306.837 3.458 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN[C@H](C)c1cccc(Cl)c1F ZINC001732954708 1204964898 /nfs/dbraw/zinc/96/48/98/1204964898.db2.gz RPGMYBDQVBWFCD-CHWSQXEVSA-N 0 3 324.827 3.294 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001733008552 1204980120 /nfs/dbraw/zinc/98/01/20/1204980120.db2.gz RBWFSKWFJWBERB-INIZCTEOSA-N 0 3 316.420 3.018 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)CCCC1 ZINC001733018203 1204982623 /nfs/dbraw/zinc/98/26/23/1204982623.db2.gz YHWSANPTYWSMKR-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001733018110 1204982788 /nfs/dbraw/zinc/98/27/88/1204982788.db2.gz WOYXQNNAXFJJJP-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001733035621 1204991998 /nfs/dbraw/zinc/99/19/98/1204991998.db2.gz JLKSOQVNXWJOEQ-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001733050013 1205001513 /nfs/dbraw/zinc/00/15/13/1205001513.db2.gz OAABEKQCPILKEX-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CN(C)C[C@H]2CCCCO2)CCCC1 ZINC001733067064 1205015245 /nfs/dbraw/zinc/01/52/45/1205015245.db2.gz CCECDBARTYDXHF-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001733216605 1205048176 /nfs/dbraw/zinc/04/81/76/1205048176.db2.gz WXPJTAYSSLDHGG-OLZOCXBDSA-N 0 3 323.387 3.178 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1CCCC1CCCC1 ZINC001733224935 1205055420 /nfs/dbraw/zinc/05/54/20/1205055420.db2.gz XFCIKGYRZDYXCX-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN2CCC(C)C)CCCCC1 ZINC001733234860 1205062350 /nfs/dbraw/zinc/06/23/50/1205062350.db2.gz XDJGEOKEJUUWLP-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc3cc[nH]c3c2)CC1 ZINC001733254781 1205070801 /nfs/dbraw/zinc/07/08/01/1205070801.db2.gz TXTYFFBCACQUIH-UHFFFAOYSA-N 0 3 311.429 3.263 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C3(CC(C)C)CCC3)C2)CC1 ZINC001733290632 1205083249 /nfs/dbraw/zinc/08/32/49/1205083249.db2.gz WJVJHHQGDRYSJN-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN(C(=O)c1ccc(CC)s1)C1CCN(CC=C)CC1 ZINC001733369385 1205107803 /nfs/dbraw/zinc/10/78/03/1205107803.db2.gz MOTNACCBLUBSMV-UHFFFAOYSA-N 0 3 316.470 3.036 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@@H](F)C1)C1CCN(CC=C(C)C)CC1 ZINC001733372540 1205107814 /nfs/dbraw/zinc/10/78/14/1205107814.db2.gz QSQKQQRBWGSNBT-DLBZAZTESA-N 0 3 320.452 3.017 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C1(C)CCC1)c1ccc2ccccc2c1 ZINC001733376251 1205109044 /nfs/dbraw/zinc/10/90/44/1205109044.db2.gz WSVOWDSVMIELTK-LJQANCHMSA-N 0 3 320.436 3.410 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001733398523 1205117480 /nfs/dbraw/zinc/11/74/80/1205117480.db2.gz PWKXGLWDVCMSES-HKUYNNGSSA-N 0 3 316.420 3.360 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001733404900 1205120281 /nfs/dbraw/zinc/12/02/81/1205120281.db2.gz SIOQVSDAIJFWPB-HKUYNNGSSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001733413016 1205125129 /nfs/dbraw/zinc/12/51/29/1205125129.db2.gz PYIOAJWXPOFVMS-BLLLJJGKSA-N 0 3 324.877 3.109 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001733464011 1205145101 /nfs/dbraw/zinc/14/51/01/1205145101.db2.gz SCDXATMCCIIXJP-ZMMAXQRCSA-N 0 3 304.478 3.217 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001733468642 1205147389 /nfs/dbraw/zinc/14/73/89/1205147389.db2.gz QMPKGOZOIRKWFF-SKINQDTJSA-N 0 3 316.489 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001733469573 1205147489 /nfs/dbraw/zinc/14/74/89/1205147489.db2.gz XONAQNKSPZJIMD-BZWMRVRASA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C\Cl)C1 ZINC001733525140 1205154583 /nfs/dbraw/zinc/15/45/83/1205154583.db2.gz BEQNKOQQOWZTIT-OQPMYKDASA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1CCC2(CC2)CC1 ZINC001733572361 1205165996 /nfs/dbraw/zinc/16/59/96/1205165996.db2.gz SHZQMZAYGITHQA-UHFFFAOYSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H](C)C1CCC1 ZINC001733676917 1205181678 /nfs/dbraw/zinc/18/16/78/1205181678.db2.gz HYPGGMFGWMCJED-OAHLLOKOSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)CCC ZINC001733678132 1205182120 /nfs/dbraw/zinc/18/21/20/1205182120.db2.gz VJAVKMRWCPHJKJ-MRXNPFEDSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccc(C)c(C)n1 ZINC001733679644 1205182380 /nfs/dbraw/zinc/18/23/80/1205182380.db2.gz BDRMCYQSRMLFIB-UHFFFAOYSA-N 0 3 323.440 3.246 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)=C2CCCC2)cc1 ZINC001733682157 1205184247 /nfs/dbraw/zinc/18/42/47/1205184247.db2.gz OZYFAPZLEJHGAH-INIZCTEOSA-N 0 3 310.441 3.477 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001733764042 1205202949 /nfs/dbraw/zinc/20/29/49/1205202949.db2.gz OFWZXRLMLYXPLJ-PKOBYXMFSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](CCC=C)c2ccccc2)CC1 ZINC001733766650 1205205630 /nfs/dbraw/zinc/20/56/30/1205205630.db2.gz XNVSZIZFIVBEQO-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CC#CC)C1 ZINC001733783384 1205218015 /nfs/dbraw/zinc/21/80/15/1205218015.db2.gz YABWAMQRGQLESM-RTBURBONSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001733783150 1205218440 /nfs/dbraw/zinc/21/84/40/1205218440.db2.gz WORRNOARDPLCGP-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC1CC1 ZINC001733808766 1205222963 /nfs/dbraw/zinc/22/29/63/1205222963.db2.gz NEKMXMMADASAJB-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC(=C)C ZINC001733809650 1205223715 /nfs/dbraw/zinc/22/37/15/1205223715.db2.gz ZAMXCOIDBQRHDP-LJQANCHMSA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC001733932365 1205261982 /nfs/dbraw/zinc/26/19/82/1205261982.db2.gz NWBXUFNEZHCILX-WLPBJKJWSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(CCOCC)CCCC1 ZINC001733936468 1205265610 /nfs/dbraw/zinc/26/56/10/1205265610.db2.gz CXDJEGWFUAQGQB-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(Cl)ccc1OC ZINC001733962008 1205271764 /nfs/dbraw/zinc/27/17/64/1205271764.db2.gz CPSPKMWRYQNBHX-OLZOCXBDSA-N 0 3 324.852 3.298 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001733975202 1205277024 /nfs/dbraw/zinc/27/70/24/1205277024.db2.gz MDTFVBNBAJLHJW-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CCC(NCc2ocnc2C)CC1 ZINC001734010436 1205287961 /nfs/dbraw/zinc/28/79/61/1205287961.db2.gz BLDZJSMAYUHGGE-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN Cc1ccccc1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001734026569 1205293015 /nfs/dbraw/zinc/29/30/15/1205293015.db2.gz SKEQZPDUAQZOIL-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@H](C)c1cccc(F)c1 ZINC001734030014 1205294643 /nfs/dbraw/zinc/29/46/43/1205294643.db2.gz DFQVSUXYUKPAFL-LSDHHAIUSA-N 0 3 304.409 3.127 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)[C@@H](C)c1cccc(F)c1 ZINC001734035511 1205297501 /nfs/dbraw/zinc/29/75/01/1205297501.db2.gz OTQQCQOWXKXGHQ-GJZGRUSLSA-N 0 3 318.436 3.373 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)[C@H](C)c1cccc(F)c1 ZINC001734035512 1205297688 /nfs/dbraw/zinc/29/76/88/1205297688.db2.gz OTQQCQOWXKXGHQ-HUUCEWRRSA-N 0 3 318.436 3.373 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001734042289 1205301606 /nfs/dbraw/zinc/30/16/06/1205301606.db2.gz CBJHYCOVDGXASX-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1c(CC)oc2ccccc21 ZINC001734064442 1205313506 /nfs/dbraw/zinc/31/35/06/1205313506.db2.gz BMNAXYHJJXRSTK-ZDUSSCGKSA-N 0 3 300.402 3.231 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001734114827 1205328356 /nfs/dbraw/zinc/32/83/56/1205328356.db2.gz LUKLRBOSBJLWIV-IAGOWNOFSA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001734124797 1205330545 /nfs/dbraw/zinc/33/05/45/1205330545.db2.gz AQFIAJSHVICQBH-HOTGVXAUSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](C)C1CN(CCCF)C1)c1ccccc1 ZINC001734127144 1205331103 /nfs/dbraw/zinc/33/11/03/1205331103.db2.gz YEDNKCBCJIRHIY-CVEARBPZSA-N 0 3 318.436 3.142 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CC2(C)CCCCC2)C(C)(C)C1 ZINC001734148263 1205335012 /nfs/dbraw/zinc/33/50/12/1205335012.db2.gz RNIFSKYRQZAABE-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1csc(Cl)c1)C(C)C ZINC001734554204 1205392721 /nfs/dbraw/zinc/39/27/21/1205392721.db2.gz QGIXHEIOASRNII-UHFFFAOYSA-N 0 3 312.866 3.207 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCCC(C)(C)C)C[C@]2(C)C1 ZINC001734198415 1205342211 /nfs/dbraw/zinc/34/22/11/1205342211.db2.gz JIOIWKDMUOIQSZ-BGYRXZFFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(C(C)C)on1 ZINC001734246072 1205348987 /nfs/dbraw/zinc/34/89/87/1205348987.db2.gz LDDJYSXXBCCVOO-LBPRGKRZSA-N 0 3 313.829 3.039 20 30 DGEDHN C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)C1CC1 ZINC001734273305 1205354605 /nfs/dbraw/zinc/35/46/05/1205354605.db2.gz JTLXENCVHVQMLW-UHFFFAOYSA-N 0 3 306.837 3.157 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCC(N(C)CCF)CC1)c1ccccc1 ZINC001734273352 1205354819 /nfs/dbraw/zinc/35/48/19/1205354819.db2.gz LTLPAKHCOHSIGL-GOSISDBHSA-N 0 3 318.436 3.239 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001734316658 1205363474 /nfs/dbraw/zinc/36/34/74/1205363474.db2.gz JGIMZXKUUPQFFC-YVEFUNNKSA-N 0 3 322.399 3.355 20 30 DGEDHN CCC(=CC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1)CC ZINC001734321042 1205363928 /nfs/dbraw/zinc/36/39/28/1205363928.db2.gz CBODPRPNJYFYOG-QGZVFWFLSA-N 0 3 312.457 3.221 20 30 DGEDHN C[C@@H](CN(C)C(=O)C[C@H]1C=CCCC1)NCC#Cc1ccccc1 ZINC001734332159 1205365832 /nfs/dbraw/zinc/36/58/32/1205365832.db2.gz GVIQQIIPPWXJLP-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H](C)NCc1ccccc1Cl ZINC001734340038 1205367074 /nfs/dbraw/zinc/36/70/74/1205367074.db2.gz WUFKRVNOOCBVGP-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cc(C)ns2)CCC1 ZINC001734343136 1205367976 /nfs/dbraw/zinc/36/79/76/1205367976.db2.gz CZVGIESQPIAKOH-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@H](CC)c1ccccc1 ZINC001734352009 1205370049 /nfs/dbraw/zinc/37/00/49/1205370049.db2.gz XAVMNOHQAYEUFB-SJORKVTESA-N 0 3 300.446 3.030 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](CC)Cc1ccccc1C ZINC001734352263 1205370053 /nfs/dbraw/zinc/37/00/53/1205370053.db2.gz ZWGUCFZSKRGMDN-ZWKOTPCHSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001734414372 1205374177 /nfs/dbraw/zinc/37/41/77/1205374177.db2.gz AXWKSUVQNOWQTR-WNHJNPCNSA-N 0 3 316.489 3.195 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3ccsc32)C1 ZINC001734425544 1205375728 /nfs/dbraw/zinc/37/57/28/1205375728.db2.gz JDYGJOUKAFUOGP-HIFRSBDPSA-N 0 3 312.438 3.117 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)c3ccccc3C)CCC[C@@H]12 ZINC001734437230 1205377496 /nfs/dbraw/zinc/37/74/96/1205377496.db2.gz BATHADAMDSWRMN-FBBABVLZSA-N 0 3 324.468 3.235 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCOc2ccccc2)[C@H]1C ZINC001734450368 1205378792 /nfs/dbraw/zinc/37/87/92/1205378792.db2.gz MIPFYVZYSZBMMV-WMZOPIPTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCOc2ccccc2)[C@H]1C ZINC001734450366 1205378888 /nfs/dbraw/zinc/37/88/88/1205378888.db2.gz MIPFYVZYSZBMMV-FUHWJXTLSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001734460856 1205381571 /nfs/dbraw/zinc/38/15/71/1205381571.db2.gz QDEDZOVOEVVICR-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cccc(C)c2)[C@@H]1C ZINC001734464488 1205382793 /nfs/dbraw/zinc/38/27/93/1205382793.db2.gz YDNTVYTWMQZYLA-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN CCCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC001734488420 1205386382 /nfs/dbraw/zinc/38/63/82/1205386382.db2.gz HWEVEXCRRQSATN-OAHLLOKOSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C(C)C ZINC001734552482 1205391781 /nfs/dbraw/zinc/39/17/81/1205391781.db2.gz BVJDWKSLHHDAER-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001734558284 1205393965 /nfs/dbraw/zinc/39/39/65/1205393965.db2.gz XKNWPNULFRRTSP-FUHWJXTLSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCCC(=O)NC1(C2CCN(CCC(F)(F)F)CC2)CC1 ZINC001734603037 1205404494 /nfs/dbraw/zinc/40/44/94/1205404494.db2.gz FHCQPVKHXJNZLP-UHFFFAOYSA-N 0 3 318.383 3.266 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CCCC(C)C)CC2)CC1 ZINC001734607266 1205405549 /nfs/dbraw/zinc/40/55/49/1205405549.db2.gz MEFHBFYFNOCQQK-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)NCC1=CCN(Cc2cccc(CC)c2)CC1 ZINC001734621663 1205405764 /nfs/dbraw/zinc/40/57/64/1205405764.db2.gz QXFJUIWIBDEGOP-UHFFFAOYSA-N 0 3 312.457 3.464 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(c3ccccc3)CCC2)CC1 ZINC001734624810 1205406637 /nfs/dbraw/zinc/40/66/37/1205406637.db2.gz DMGSYKRPCPKKIL-UHFFFAOYSA-N 0 3 310.441 3.043 20 30 DGEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC001164630845 719250202 /nfs/dbraw/zinc/25/02/02/719250202.db2.gz BMXJGDVTMUULOL-NWDGAFQWSA-N 0 3 314.820 3.289 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)CCCC)CC1 ZINC001164381120 1090417624 /nfs/dbraw/zinc/41/76/24/1090417624.db2.gz HQTVXTITCQMXFW-ZDUSSCGKSA-N 0 3 300.874 3.441 20 30 DGEDHN CCCCCCCCS(=O)(=O)N1CC[C@H](N(C)C(C)C)C1 ZINC001188008827 1099657401 /nfs/dbraw/zinc/65/74/01/1099657401.db2.gz TZNIHNPCJOSTMV-INIZCTEOSA-N 0 3 318.527 3.091 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(N2CCCc3ccc(CN)nc32)n1 ZINC001169590461 1081599260 /nfs/dbraw/zinc/59/92/60/1081599260.db2.gz NPMYHQNRIHZVRQ-UHFFFAOYSA-N 0 3 321.428 3.189 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001266272766 1081607502 /nfs/dbraw/zinc/60/75/02/1081607502.db2.gz BIHKCUXWFUWTBX-CQSZACIVSA-N 0 3 306.837 3.108 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1ccn(C(C)C)n1 ZINC001169706059 1081635008 /nfs/dbraw/zinc/63/50/08/1081635008.db2.gz PSALFUFSLPCGTA-INIZCTEOSA-N 0 3 320.481 3.195 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@H]2CCc3c2cccc3F)C1 ZINC001266323599 1081665823 /nfs/dbraw/zinc/66/58/23/1081665823.db2.gz HVVUTYAZQWYLKM-KRWDZBQOSA-N 0 3 316.420 3.217 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001266329763 1081672344 /nfs/dbraw/zinc/67/23/44/1081672344.db2.gz GTDXGKQRWJQVOF-UHFFFAOYSA-N 0 3 313.445 3.318 20 30 DGEDHN C=C(C)CN(CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1 ZINC001169952897 1081683796 /nfs/dbraw/zinc/68/37/96/1081683796.db2.gz MCSPYPRVHDAPQH-QZTJIDSGSA-N 0 3 302.462 3.174 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001266386430 1081729724 /nfs/dbraw/zinc/72/97/24/1081729724.db2.gz FQZGJLXVRLEIJJ-MSOLQXFVSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC001266388641 1081732498 /nfs/dbraw/zinc/73/24/98/1081732498.db2.gz LKEFHNJLXNEQLH-SJLPKXTDSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC001266388642 1081732642 /nfs/dbraw/zinc/73/26/42/1081732642.db2.gz LKEFHNJLXNEQLH-WMZOPIPTSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001266393057 1081737249 /nfs/dbraw/zinc/73/72/49/1081737249.db2.gz QDGKOEPKEZVDQU-SFHVURJKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C)n1)C2 ZINC001109186488 1081781267 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CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001109663461 1081897446 /nfs/dbraw/zinc/89/74/46/1081897446.db2.gz RIEPELXLTRLQSQ-PVAVHDDUSA-N 0 3 319.449 3.289 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001266496062 1081897596 /nfs/dbraw/zinc/89/75/96/1081897596.db2.gz ZXJNUHWQNKHRKH-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC/C=C/c1ccccc1)C2 ZINC001109712879 1081901871 /nfs/dbraw/zinc/90/18/71/1081901871.db2.gz JBAJSEOUIBJRGM-QURSKLJASA-N 0 3 322.452 3.225 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1cccs1)C2 ZINC001109773280 1081912301 /nfs/dbraw/zinc/91/23/01/1081912301.db2.gz NEMRDDSQRKTDHR-FSDCSDTHSA-N 0 3 318.486 3.224 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C2 ZINC001109794672 1081916413 /nfs/dbraw/zinc/91/64/13/1081916413.db2.gz GJTDPTHGXHUQPV-RDGPPVDQSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCCCC)C2 ZINC001109869937 1081926388 /nfs/dbraw/zinc/92/63/88/1081926388.db2.gz JBSWYRKDCCBHGB-MHORFTMASA-N 0 3 304.478 3.338 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001086534172 1081946001 /nfs/dbraw/zinc/94/60/01/1081946001.db2.gz SYORVXBIOKRCAN-JOCQHMNTSA-N 0 3 310.825 3.001 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001086545801 1081981654 /nfs/dbraw/zinc/98/16/54/1081981654.db2.gz DMEMNDZZDCCOKA-KOMQPUFPSA-N 0 3 306.837 3.100 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112837085 1082019113 /nfs/dbraw/zinc/01/91/13/1082019113.db2.gz QYSVETVXNPBBHD-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NC1=CC(=O)C[C@@H](C)C1 ZINC001210775390 1082019571 /nfs/dbraw/zinc/01/95/71/1082019571.db2.gz IZDODLOKVXNLQU-AWEZNQCLSA-N 0 3 313.445 3.042 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCO[C@@H](C)CC(C)C)CC1 ZINC001112837677 1082020357 /nfs/dbraw/zinc/02/03/57/1082020357.db2.gz QWYHIDNIFWGJSP-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001112885611 1082035600 /nfs/dbraw/zinc/03/56/00/1082035600.db2.gz HVRYPJHZPSXOMW-NZSAHSFTSA-N 0 3 316.489 3.335 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1cc(Cl)cs1 ZINC001167399823 1082067598 /nfs/dbraw/zinc/06/75/98/1082067598.db2.gz YKMQTKSUJRWDMD-UHFFFAOYSA-N 0 3 321.273 3.183 20 30 DGEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccoc2)C1 ZINC001086575583 1082106570 /nfs/dbraw/zinc/10/65/70/1082106570.db2.gz YPXZXPVUYMEILV-ZWKOTPCHSA-N 0 3 310.397 3.054 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC001113071587 1082107366 /nfs/dbraw/zinc/10/73/66/1082107366.db2.gz HDYSVUMDWLFUQY-MRXNPFEDSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001113123173 1082120831 /nfs/dbraw/zinc/12/08/31/1082120831.db2.gz LHKDAISBYDVGTI-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001086582293 1082133478 /nfs/dbraw/zinc/13/34/78/1082133478.db2.gz JAXAZXWNUKQBGN-SOTJZCEJSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2csc(C)c2)CC1 ZINC001167458837 1082166133 /nfs/dbraw/zinc/16/61/33/1082166133.db2.gz KOFVPFQWUKRVGA-UHFFFAOYSA-N 0 3 312.866 3.299 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cccc(C)c2)CC1 ZINC001113278293 1082166359 /nfs/dbraw/zinc/16/63/59/1082166359.db2.gz GKNYKTJPRMFPPO-KRWDZBQOSA-N 0 3 300.446 3.036 20 30 DGEDHN CCCC(=O)N[C@@H](C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001279111402 1082168394 /nfs/dbraw/zinc/16/83/94/1082168394.db2.gz LIYFCUJZHVFPBL-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCc1cc(F)ccc1C ZINC001266828345 1082245924 /nfs/dbraw/zinc/24/59/24/1082245924.db2.gz WHCCTDWNHZCLEX-GOSISDBHSA-N 0 3 306.425 3.284 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2sc(C)cc2C)CC1 ZINC001113592732 1082260252 /nfs/dbraw/zinc/26/02/52/1082260252.db2.gz UODKWOOQMUMGAQ-HNNXBMFYSA-N 0 3 320.502 3.406 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(C)s2)CC1 ZINC001113677645 1082277087 /nfs/dbraw/zinc/27/70/87/1082277087.db2.gz GICRCURDKWYZES-AWEZNQCLSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnccc2C)C1 ZINC001266893015 1082311877 /nfs/dbraw/zinc/31/18/77/1082311877.db2.gz PCTOXJXXENWDHW-IRXDYDNUSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001480898448 1082314367 /nfs/dbraw/zinc/31/43/67/1082314367.db2.gz OITXCMXQPPUREC-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCC(NCc2conc2C)CC1 ZINC001266912605 1082332895 /nfs/dbraw/zinc/33/28/95/1082332895.db2.gz NAAQSNWIEPJKTN-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001267080989 1082487160 /nfs/dbraw/zinc/48/71/60/1082487160.db2.gz HHNGOVQCKABIOU-KBPBESRZSA-N 0 3 307.463 3.016 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2cccnc2)CCCCC1 ZINC001267109477 1082527144 /nfs/dbraw/zinc/52/71/44/1082527144.db2.gz HAZDFRLQFAIUGE-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001267115236 1082533723 /nfs/dbraw/zinc/53/37/23/1082533723.db2.gz RCERZJJHEOSZPM-FQEVSTJZSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2cc(C)cn2c1 ZINC001267130169 1082548485 /nfs/dbraw/zinc/54/84/85/1082548485.db2.gz FTFSMPAWDHOBMD-AWEZNQCLSA-N 0 3 319.836 3.098 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211549664 1082564751 /nfs/dbraw/zinc/56/47/51/1082564751.db2.gz KSFZHFMCKXHERS-QNLCYANDSA-N 0 3 318.848 3.289 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccc(Cl)s1 ZINC001267149364 1082567320 /nfs/dbraw/zinc/56/73/20/1082567320.db2.gz SEPRQAOLIKBPDZ-SNVBAGLBSA-N 0 3 321.273 3.181 20 30 DGEDHN C[C@@H](CCNC(=O)CCC1(C)CC1)NCc1ccccc1C#N ZINC001267152347 1082569892 /nfs/dbraw/zinc/56/98/92/1082569892.db2.gz ZPDPTBFNYUCREU-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccc(F)c2)C1 ZINC001086636481 1082579911 /nfs/dbraw/zinc/57/99/11/1082579911.db2.gz MGOPDKOIXNMZNQ-SWLSCSKDSA-N 0 3 310.800 3.066 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)CCC)C[C@H]1c1ccccc1 ZINC001211554004 1082587947 /nfs/dbraw/zinc/58/79/47/1082587947.db2.gz RIZMVHGZBQEJGQ-YTQUADARSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@]1(C)C=CCC1 ZINC001267174495 1082597719 /nfs/dbraw/zinc/59/77/19/1082597719.db2.gz LJNQMNONGVDPNJ-WBVHZDCISA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@@H](C)O2 ZINC001131666939 1082700577 /nfs/dbraw/zinc/70/05/77/1082700577.db2.gz VQFVXNNBAJVBER-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cc(C)no2)CC[C@H]1C ZINC001131784195 1082731369 /nfs/dbraw/zinc/73/13/69/1082731369.db2.gz POZSHZPKGNGUDT-HZPDHXFCSA-N 0 3 319.449 3.312 20 30 DGEDHN CC(C)C#CC(=O)NCCN([C@@H](C)c1cccc(F)c1)C1CC1 ZINC001267325157 1082796243 /nfs/dbraw/zinc/79/62/43/1082796243.db2.gz CXRAXQYBTVLSKZ-HNNXBMFYSA-N 0 3 316.420 3.127 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c(C)c1 ZINC001132033643 1082797545 /nfs/dbraw/zinc/79/75/45/1082797545.db2.gz JEARVUJTAWWXOS-PXNSSMCTSA-N 0 3 324.468 3.186 20 30 DGEDHN CCc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@@H]2C)cc1 ZINC001132033859 1082797575 /nfs/dbraw/zinc/79/75/75/1082797575.db2.gz MHAUXEAHUOCXAE-OXJNMPFZSA-N 0 3 324.468 3.132 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1ccc(Cl)cc1)C1CC1 ZINC001267330614 1082804080 /nfs/dbraw/zinc/80/40/80/1082804080.db2.gz GFCIIDIKSZHOKI-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132061146 1082805171 /nfs/dbraw/zinc/80/51/71/1082805171.db2.gz PGYBGQAIGBGHBI-DLBZAZTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN(CCNC(=O)CC[C@H]1CCc2ccccc21)C1CC1 ZINC001267337794 1082816238 /nfs/dbraw/zinc/81/62/38/1082816238.db2.gz IZDPZDHVWMWXAM-QGZVFWFLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(Cl)cc2)CC[C@H]1C ZINC001132207087 1082838523 /nfs/dbraw/zinc/83/85/23/1082838523.db2.gz QNCAUWYBSALDGT-RHSMWYFYSA-N 0 3 320.864 3.428 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc[nH]c1C(C)C)c1ccccc1 ZINC001267370707 1082840576 /nfs/dbraw/zinc/84/05/76/1082840576.db2.gz SKJRRVVLFYDNNK-SFHVURJKSA-N 0 3 323.440 3.222 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC001267377199 1082846199 /nfs/dbraw/zinc/84/61/99/1082846199.db2.gz NQJJELJLDKAQLJ-FUHWJXTLSA-N 0 3 324.424 3.162 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccccc2)CC[C@H]1C ZINC001132252200 1082854752 /nfs/dbraw/zinc/85/47/52/1082854752.db2.gz BULAIWLMKZWVKW-SJLPKXTDSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132255611 1082865237 /nfs/dbraw/zinc/86/52/37/1082865237.db2.gz BVWKNDJNSFXISP-WMZOPIPTSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCOC(C)C)C2)CC1 ZINC001132277300 1082868334 /nfs/dbraw/zinc/86/83/34/1082868334.db2.gz FGOYYYBPLXKBRE-DLBZAZTESA-N 0 3 322.493 3.127 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C(F)=C2CCCC2)C1 ZINC001267453518 1082888673 /nfs/dbraw/zinc/88/86/73/1082888673.db2.gz DQMNDOXHXASELW-INIZCTEOSA-N 0 3 306.425 3.120 20 30 DGEDHN C#CCCCCCC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001132407898 1082902900 /nfs/dbraw/zinc/90/29/00/1082902900.db2.gz SNYVOAITEZXUDW-OAHLLOKOSA-N 0 3 304.409 3.176 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOC)C1 ZINC001132436800 1082909517 /nfs/dbraw/zinc/90/95/17/1082909517.db2.gz ONCFUHAVJCJYSB-DLBZAZTESA-N 0 3 312.498 3.353 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132456518 1082911822 /nfs/dbraw/zinc/91/18/22/1082911822.db2.gz GBYBSBOPJGGEDL-VXGBXAGGSA-N 0 3 306.372 3.120 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3C)C(C)(C)[C@H]21 ZINC001087270297 1082916865 /nfs/dbraw/zinc/91/68/65/1082916865.db2.gz XUTOIONGDZYSFI-QRVBRYPASA-N 0 3 324.468 3.237 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(CC)cc2)CC[C@H]1C ZINC001132481518 1082922025 /nfs/dbraw/zinc/92/20/25/1082922025.db2.gz GTZLJLFEKJJEOU-VQIMIIECSA-N 0 3 314.473 3.337 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCOCC)C2)CCCC1 ZINC001132546530 1082938905 /nfs/dbraw/zinc/93/89/05/1082938905.db2.gz NGSGMONCBDERKT-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@H](C)n2cccc2)C1 ZINC001267487120 1082943454 /nfs/dbraw/zinc/94/34/54/1082943454.db2.gz APTHYRMBBWBJFQ-ZWKOTPCHSA-N 0 3 317.477 3.328 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)c2ccccc2)C1 ZINC001267487659 1082945119 /nfs/dbraw/zinc/94/51/19/1082945119.db2.gz FHWPTKJMVFCNNX-IEBWSBKVSA-N 0 3 312.457 3.126 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001267488649 1082945689 /nfs/dbraw/zinc/94/56/89/1082945689.db2.gz NTOUAZBILDQYPC-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3=CCCCCC3)C(C)(C)[C@H]21 ZINC001087285120 1082946738 /nfs/dbraw/zinc/94/67/38/1082946738.db2.gz SSHCUNIFESUAFZ-KURKYZTESA-N 0 3 314.473 3.115 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)s1)c1ccccc1 ZINC001267517287 1082976910 /nfs/dbraw/zinc/97/69/10/1082976910.db2.gz KOQZENFMEBQQEQ-HNNXBMFYSA-N 0 3 300.427 3.303 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC001267523849 1082984578 /nfs/dbraw/zinc/98/45/78/1082984578.db2.gz XYFJVXDBQICJSE-OALUTQOASA-N 0 3 324.399 3.168 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(F)CCCCC1)c1ccccc1 ZINC001267524651 1082986625 /nfs/dbraw/zinc/98/66/25/1082986625.db2.gz DOBIHGWHQFPUOG-QGZVFWFLSA-N 0 3 316.420 3.129 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc(Cl)cn2C)C1 ZINC001267545110 1083013850 /nfs/dbraw/zinc/01/38/50/1083013850.db2.gz YRTYVWUPMORPNB-HNNXBMFYSA-N 0 3 323.868 3.181 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001111949326 1083025723 /nfs/dbraw/zinc/02/57/23/1083025723.db2.gz ZDKRIJIMUWTPGX-AOIWGVFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001170651878 1083050457 /nfs/dbraw/zinc/05/04/57/1083050457.db2.gz FKTVKIHNUFBXFD-CYBMUJFWSA-N 0 3 320.820 3.385 20 30 DGEDHN C=CCCCC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001133143473 1083059540 /nfs/dbraw/zinc/05/95/40/1083059540.db2.gz WJNIMKMGWPJBAW-INIZCTEOSA-N 0 3 308.372 3.014 20 30 DGEDHN Cc1c(C#N)ccnc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170679704 1083105187 /nfs/dbraw/zinc/10/51/87/1083105187.db2.gz TYYHOMDBLQAZMD-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C1CCCC1 ZINC001133377303 1083109414 /nfs/dbraw/zinc/10/94/14/1083109414.db2.gz QINZKDPMQRAJBA-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)/C(C)=C\C ZINC001133390993 1083114583 /nfs/dbraw/zinc/11/45/83/1083114583.db2.gz RZEMNVAOVITTLV-WCSRMQSCSA-N 0 3 318.848 3.248 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCCc1ccccc1 ZINC001481054880 1083138091 /nfs/dbraw/zinc/13/80/91/1083138091.db2.gz VEKRDQPAKHBLNH-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=C1CC(C)(C(=O)NCCNCc2ccc(C(C)C)nc2C)C1 ZINC001133570374 1083153695 /nfs/dbraw/zinc/15/36/95/1083153695.db2.gz YSGOOFHPSNRCES-UHFFFAOYSA-N 0 3 315.461 3.076 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CC(C)(C)C ZINC001133730707 1083185645 /nfs/dbraw/zinc/18/56/45/1083185645.db2.gz GIDHKQFTGXBNRN-VXGBXAGGSA-N 0 3 319.287 3.204 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001481118948 1083195251 /nfs/dbraw/zinc/19/52/51/1083195251.db2.gz KPRYCKZRVFGXSI-MSOLQXFVSA-N 0 3 306.494 3.300 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133839369 1083201558 /nfs/dbraw/zinc/20/15/58/1083201558.db2.gz FUQOFLYZZFURFL-JMVFYIHGSA-N 0 3 313.445 3.287 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(C(C)C)nc1C ZINC001133888569 1083207497 /nfs/dbraw/zinc/20/74/97/1083207497.db2.gz KKRNKYGEMYMLPS-KBPBESRZSA-N 0 3 321.465 3.446 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(CCC)nc1C ZINC001133888288 1083207652 /nfs/dbraw/zinc/20/76/52/1083207652.db2.gz HWYDQAZDFQWHCJ-ZIAGYGMSSA-N 0 3 321.465 3.275 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc2c(c1)CCCC2 ZINC001481152564 1083214031 /nfs/dbraw/zinc/21/40/31/1083214031.db2.gz CAUNTLANJUXNDS-UHFFFAOYSA-N 0 3 312.457 3.031 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)C=C1CCC1 ZINC001134113754 1083242619 /nfs/dbraw/zinc/24/26/19/1083242619.db2.gz FLPDJJRWGHSWMK-LSDHHAIUSA-N 0 3 311.429 3.041 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)C1=CCCC1)NCc1ccccc1C#N ZINC001134122238 1083245493 /nfs/dbraw/zinc/24/54/93/1083245493.db2.gz BBVUVTCRQRRUCV-CABCVRRESA-N 0 3 311.429 3.041 20 30 DGEDHN C#CCCCC(=O)NCC1CN(Cc2ccccc2C(C)C)C1 ZINC001267680622 1083260834 /nfs/dbraw/zinc/26/08/34/1083260834.db2.gz RQUUENPYXYBNLW-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001267682884 1083261939 /nfs/dbraw/zinc/26/19/39/1083261939.db2.gz DEJDOBRYPOXTIF-FQEVSTJZSA-N 0 3 324.468 3.490 20 30 DGEDHN CC#CCCCC(=O)NCC1CN(CC/C=C\c2ccccc2)C1 ZINC001267688935 1083264377 /nfs/dbraw/zinc/26/43/77/1083264377.db2.gz ACMJBTVEBNNWRT-LCYFTJDESA-N 0 3 324.468 3.332 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1 ZINC001267710633 1083276190 /nfs/dbraw/zinc/27/61/90/1083276190.db2.gz WWDUMRUPJHOTGM-PVAVHDDUSA-N 0 3 316.420 3.388 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)sc1C ZINC001134470177 1083294188 /nfs/dbraw/zinc/29/41/88/1083294188.db2.gz OCULMPIWVKLVTG-CHWSQXEVSA-N 0 3 323.506 3.489 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1nccs1 ZINC001134454135 1083295215 /nfs/dbraw/zinc/29/52/15/1083295215.db2.gz RCFKQDJCAWJLPO-CHWSQXEVSA-N 0 3 309.479 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1conc1CC ZINC001134454013 1083295440 /nfs/dbraw/zinc/29/54/40/1083295440.db2.gz PKAALOMMUTYFPP-UONOGXRCSA-N 0 3 321.465 3.212 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN([C@@H](C)c2cccc(OC)c2)C1 ZINC001267757357 1083323472 /nfs/dbraw/zinc/32/34/72/1083323472.db2.gz BUSSEEZKAVQISZ-RDJZCZTQSA-N 0 3 316.445 3.255 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001267763286 1083327829 /nfs/dbraw/zinc/32/78/29/1083327829.db2.gz KZCUVFBSXDGRER-IBGZPJMESA-N 0 3 312.457 3.085 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001267767524 1083330732 /nfs/dbraw/zinc/33/07/32/1083330732.db2.gz HHWRLZRNQRJMLL-QGZVFWFLSA-N 0 3 318.436 3.401 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccccc2C)C1 ZINC001267772071 1083334928 /nfs/dbraw/zinc/33/49/28/1083334928.db2.gz AAABKLPNCCOAJW-IRXDYDNUSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C ZINC001104946060 1083339235 /nfs/dbraw/zinc/33/92/35/1083339235.db2.gz LFMIEVPKBNMDCG-RHSMWYFYSA-N 0 3 320.864 3.435 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@@H](C)CCC)C[C@H]1C(F)(F)F ZINC001112065686 1083339363 /nfs/dbraw/zinc/33/93/63/1083339363.db2.gz LEDDUIFDCJQPDQ-BFHYXJOUSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001267778677 1083341054 /nfs/dbraw/zinc/34/10/54/1083341054.db2.gz FPIJGGKNLKTXFH-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(CC(C)C)CC(C)C)C1 ZINC001267778510 1083341511 /nfs/dbraw/zinc/34/15/11/1083341511.db2.gz CENKGSRKOJXPKE-GOSISDBHSA-N 0 3 306.494 3.251 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001267784832 1083345615 /nfs/dbraw/zinc/34/56/15/1083345615.db2.gz RHYOLCNEJZPCGG-IBGZPJMESA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCc2ccccc2)C1 ZINC001267792373 1083350598 /nfs/dbraw/zinc/35/05/98/1083350598.db2.gz YUDJEFREIBCDCL-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1scnc1C ZINC001267808757 1083357409 /nfs/dbraw/zinc/35/74/09/1083357409.db2.gz XSPAPDBQEZXSCO-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN CC[C@@H](CNC(=O)[C@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001267809771 1083359131 /nfs/dbraw/zinc/35/91/31/1083359131.db2.gz RVLKSQQSBRYKTB-RBUKOAKNSA-N 0 3 324.468 3.103 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001481272876 1083388600 /nfs/dbraw/zinc/38/86/00/1083388600.db2.gz KLPLSBXYDLLOQJ-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)s1)C2 ZINC001110242225 1083401612 /nfs/dbraw/zinc/40/16/12/1083401612.db2.gz RVTFTERMJFQAPX-KFWWJZLASA-N 0 3 304.459 3.358 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)c(C)o2)CCCC1 ZINC001267834386 1083409883 /nfs/dbraw/zinc/40/98/83/1083409883.db2.gz BMHUZUDPGUZYTM-UHFFFAOYSA-N 0 3 310.825 3.281 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1cccc(F)c1F)C1CC1 ZINC001267848031 1083444295 /nfs/dbraw/zinc/44/42/95/1083444295.db2.gz DRCCGTSCQYBOMR-SFHVURJKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001267853187 1083450221 /nfs/dbraw/zinc/45/02/21/1083450221.db2.gz MGEMGWKQWFHTTC-RISCZKNCSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001111520849 1083504788 /nfs/dbraw/zinc/50/47/88/1083504788.db2.gz CCNLBPZCZFURNF-MKXGPGLRSA-N 0 3 312.457 3.478 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001267888436 1083518317 /nfs/dbraw/zinc/51/83/17/1083518317.db2.gz GKXVXRXMHUFGCJ-ZMSDIMECSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001267887266 1083519653 /nfs/dbraw/zinc/51/96/53/1083519653.db2.gz FXDRXKKXLNTTNA-HUUCEWRRSA-N 0 3 312.885 3.393 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001267967041 1083668667 /nfs/dbraw/zinc/66/86/67/1083668667.db2.gz WGSAJTXYGLZSBP-XCJXAGMVSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl ZINC001267987150 1083702417 /nfs/dbraw/zinc/70/24/17/1083702417.db2.gz ACFSVDUWOKUADT-ZWIPKHHJSA-N 0 3 307.265 3.250 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001182841877 1083820725 /nfs/dbraw/zinc/82/07/25/1083820725.db2.gz WTJNHQWBBZJSCO-GOSISDBHSA-N 0 3 316.420 3.285 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1c(C)oc(C)c1C)c1ccccc1 ZINC001481364485 1083824694 /nfs/dbraw/zinc/82/46/94/1083824694.db2.gz AJXBSQNMUKPSFW-GOSISDBHSA-N 0 3 324.424 3.289 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(COC)c1)c1ccccc1 ZINC001481365408 1083825926 /nfs/dbraw/zinc/82/59/26/1083825926.db2.gz NVNOLSHTUHGVIT-IBGZPJMESA-N 0 3 324.424 3.080 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1csnc1C)c1ccccc1 ZINC001481366460 1083827692 /nfs/dbraw/zinc/82/76/92/1083827692.db2.gz VQGKIHQVHJEFOU-INIZCTEOSA-N 0 3 315.442 3.088 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)CCC)c1ccccc1 ZINC001481369065 1083829148 /nfs/dbraw/zinc/82/91/48/1083829148.db2.gz LZEGPJQUPOVVJQ-QGZVFWFLSA-N 0 3 300.446 3.283 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001182897726 1083834918 /nfs/dbraw/zinc/83/49/18/1083834918.db2.gz FOFOJTNPRLMURU-CQSZACIVSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CCC)C(=O)c2cncs2)C1 ZINC001481393490 1083856166 /nfs/dbraw/zinc/85/61/66/1083856166.db2.gz YFMIMXBLBVABOH-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2c[nH]c3ccccc32)C1 ZINC001481402374 1083869072 /nfs/dbraw/zinc/86/90/72/1083869072.db2.gz WHZKNUCGXPCFLN-MRXNPFEDSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001481406581 1083876102 /nfs/dbraw/zinc/87/61/02/1083876102.db2.gz UUWBJVGPLQQBGW-KRWDZBQOSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2c(C)nsc2C)CCCC1 ZINC001268033506 1083916535 /nfs/dbraw/zinc/91/65/35/1083916535.db2.gz SGONOZZTJNSLKX-UHFFFAOYSA-N 0 3 321.490 3.245 20 30 DGEDHN CC(C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001268050917 1084029283 /nfs/dbraw/zinc/02/92/83/1084029283.db2.gz OAHZHPDCOGMRGZ-OAHLLOKOSA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1cc2ccccc2o1 ZINC001268054358 1084047026 /nfs/dbraw/zinc/04/70/26/1084047026.db2.gz MHNJQDLMCNFJDT-AWEZNQCLSA-N 0 3 300.402 3.336 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001268055913 1084050813 /nfs/dbraw/zinc/05/08/13/1084050813.db2.gz QGGAGNRUMGMXLX-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001268056081 1084052437 /nfs/dbraw/zinc/05/24/37/1084052437.db2.gz ZUIVXIMYKAIOFY-SJCJKPOMSA-N 0 3 322.399 3.355 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CN(C)Cc2cc(C)no2)CC1 ZINC001481514933 1084052614 /nfs/dbraw/zinc/05/26/14/1084052614.db2.gz UYKSMQSFQNSNFV-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001481524386 1084070935 /nfs/dbraw/zinc/07/09/35/1084070935.db2.gz OWMSWOKGOFMHNX-LJQANCHMSA-N 0 3 312.457 3.222 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001481527112 1084077205 /nfs/dbraw/zinc/07/72/05/1084077205.db2.gz GKIYRABDUWJDJR-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001481529916 1084086465 /nfs/dbraw/zinc/08/64/65/1084086465.db2.gz RYRXMVRVFVFJRG-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C#Cc1ccc(CN(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 ZINC001184013001 1084089081 /nfs/dbraw/zinc/08/90/81/1084089081.db2.gz REPPKBCYQIYGDO-KRWDZBQOSA-N 0 3 314.429 3.109 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001268079884 1084118242 /nfs/dbraw/zinc/11/82/42/1084118242.db2.gz GAACHJWNAWRHKV-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN CCCC(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)CC(C)C ZINC001268102794 1084172027 /nfs/dbraw/zinc/17/20/27/1084172027.db2.gz ZABIEIZZJTYMEN-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2nccs2)[C@H](C)C1 ZINC001268126178 1084210275 /nfs/dbraw/zinc/21/02/75/1084210275.db2.gz CLIIIBLHXPXYHF-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001273489128 1084223845 /nfs/dbraw/zinc/22/38/45/1084223845.db2.gz XCKGIZJQFPLJPC-CQSZACIVSA-N 0 3 319.424 3.024 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001268149245 1084239954 /nfs/dbraw/zinc/23/99/54/1084239954.db2.gz QWQZOJLACLOTML-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001268153998 1084246875 /nfs/dbraw/zinc/24/68/75/1084246875.db2.gz VYYIQKHBCWSKKI-UXHICEINSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC001268169036 1084276005 /nfs/dbraw/zinc/27/60/05/1084276005.db2.gz CBYBZGXFYYOAAM-SFHVURJKSA-N 0 3 323.440 3.282 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001268171943 1084282050 /nfs/dbraw/zinc/28/20/50/1084282050.db2.gz CIHKRSYLTMMEBW-LSDHHAIUSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001185064133 1084327089 /nfs/dbraw/zinc/32/70/89/1084327089.db2.gz MHWJWBXUIMIBDP-HUUCEWRRSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1ccc(CC)cc1 ZINC001268240319 1084388048 /nfs/dbraw/zinc/38/80/48/1084388048.db2.gz WQVGHWGIPJDMKU-UHFFFAOYSA-N 0 3 302.462 3.496 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-c2ccccc2)nc1 ZINC001268251603 1084409023 /nfs/dbraw/zinc/40/90/23/1084409023.db2.gz DFAQQPUYFQAGTO-UHFFFAOYSA-N 0 3 323.440 3.329 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](CC)Cc1ccccc1C ZINC001268255287 1084417882 /nfs/dbraw/zinc/41/78/82/1084417882.db2.gz VYHRWTSBWPZJCA-QGZVFWFLSA-N 0 3 302.462 3.140 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001481675835 1084467991 /nfs/dbraw/zinc/46/79/91/1084467991.db2.gz DDHZIUSFNGNQJP-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001481688735 1084475152 /nfs/dbraw/zinc/47/51/52/1084475152.db2.gz MOCJLOJQDRFTMM-SFHVURJKSA-N 0 3 312.457 3.160 20 30 DGEDHN C#CCCCC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001126339382 1084485832 /nfs/dbraw/zinc/48/58/32/1084485832.db2.gz XFZYZIVPNOGLKL-UHFFFAOYSA-N 0 3 318.420 3.266 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC[C@H](C)F)C2)CCCCC1 ZINC001481709931 1084507596 /nfs/dbraw/zinc/50/75/96/1084507596.db2.gz HZIMSRAGFJBIBT-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001185959481 1084561631 /nfs/dbraw/zinc/56/16/31/1084561631.db2.gz MLZNJHVNANYJCJ-CQSZACIVSA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)C(C)C)C1 ZINC001186041819 1084581103 /nfs/dbraw/zinc/58/11/03/1084581103.db2.gz TYNWSHAQCSFUJF-MOPGFXCFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1C ZINC001268427773 1084591867 /nfs/dbraw/zinc/59/18/67/1084591867.db2.gz IBBWTSKFXRBWHU-GOEBONIOSA-N 0 3 322.880 3.411 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001481782123 1084635566 /nfs/dbraw/zinc/63/55/66/1084635566.db2.gz NBUPJQAGSMIZOM-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCc2ncccc2C)CC1 ZINC001481848314 1084663614 /nfs/dbraw/zinc/66/36/14/1084663614.db2.gz MTXSZQABJSOTKM-QGZVFWFLSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(Cl)o2)CCCC1 ZINC001481888385 1084687052 /nfs/dbraw/zinc/68/70/52/1084687052.db2.gz HFENUBFUUQHSPP-UHFFFAOYSA-N 0 3 317.216 3.318 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001481986608 1084750942 /nfs/dbraw/zinc/75/09/42/1084750942.db2.gz SPVLUIIEEYYQIV-CWRNSKLLSA-N 0 3 310.869 3.003 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001187191846 1084767955 /nfs/dbraw/zinc/76/79/55/1084767955.db2.gz RNTIQFVIGBGSEC-AXVPCFCXSA-N 0 3 310.441 3.199 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@H]2CCCC[C@H]2C)cc1 ZINC001482035983 1084788376 /nfs/dbraw/zinc/78/83/76/1084788376.db2.gz RVSGFKVBGHOWRT-VQIMIIECSA-N 0 3 312.457 3.242 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C\CN[C@H](C)c1cccc(Cl)c1 ZINC001268537209 1084790662 /nfs/dbraw/zinc/79/06/62/1084790662.db2.gz RMVBJQWMLHRCHK-FOSCPCJNSA-N 0 3 318.848 3.322 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C/CN[C@@H](C)c1cccc(Cl)c1 ZINC001268537213 1084790745 /nfs/dbraw/zinc/79/07/45/1084790745.db2.gz RMVBJQWMLHRCHK-RGDDUWESSA-N 0 3 318.848 3.322 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN[C@H](C)c2ccccc2F)C1 ZINC001268661553 1084925682 /nfs/dbraw/zinc/92/56/82/1084925682.db2.gz ZGEZNIPCOBMERP-ZIAGYGMSSA-N 0 3 304.409 3.337 20 30 DGEDHN CCC1(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)CCCC1 ZINC001268668471 1084930223 /nfs/dbraw/zinc/93/02/23/1084930223.db2.gz ZNKZPYGADFTCCU-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268728705 1084995787 /nfs/dbraw/zinc/99/57/87/1084995787.db2.gz IUEWKHRWWVRGFK-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001268758377 1085035604 /nfs/dbraw/zinc/03/56/04/1085035604.db2.gz BZTGBRLEHQXWKZ-MJGOQNOKSA-N 0 3 322.493 3.152 20 30 DGEDHN C#CCCCCCC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001268861950 1085070005 /nfs/dbraw/zinc/07/00/05/1085070005.db2.gz CHOGWVTWRTZCMB-FQEVSTJZSA-N 0 3 324.468 3.306 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001268873961 1085071727 /nfs/dbraw/zinc/07/17/27/1085071727.db2.gz CQGIGFIJFVFARE-UYAOXDASSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001268954245 1085085977 /nfs/dbraw/zinc/08/59/77/1085085977.db2.gz PPTFFRZFXFBRMZ-CYBMUJFWSA-N 0 3 312.816 3.120 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)CCCCC1 ZINC001268988680 1085095473 /nfs/dbraw/zinc/09/54/73/1085095473.db2.gz UHRVTNGISXUVGU-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001269029902 1085101803 /nfs/dbraw/zinc/10/18/03/1085101803.db2.gz RSUGNTLBGVEADA-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCN(CCCCCF)C2)CCCCC1 ZINC001269097211 1085124266 /nfs/dbraw/zinc/12/42/66/1085124266.db2.gz VNAAJGNZOSIINC-KRWDZBQOSA-N 0 3 322.468 3.291 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001269159776 1085171165 /nfs/dbraw/zinc/17/11/65/1085171165.db2.gz VVNRJBSQELKIKC-LSDHHAIUSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(C)cc1Cl ZINC001269255281 1085237678 /nfs/dbraw/zinc/23/76/78/1085237678.db2.gz NPHZHNNIFAGFEN-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001269273835 1085257359 /nfs/dbraw/zinc/25/73/59/1085257359.db2.gz CNDBLJBOSAYMID-DLBZAZTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001269337908 1085315242 /nfs/dbraw/zinc/31/52/42/1085315242.db2.gz NGFOVGQVQPDVDG-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001269352971 1085334412 /nfs/dbraw/zinc/33/44/12/1085334412.db2.gz XYRFVUNXFUDJDD-QZTJIDSGSA-N 0 3 318.436 3.332 20 30 DGEDHN CCC(=CC(=O)NCC1(NCc2ccc(C#N)cc2)CC1)CC ZINC001269398901 1085364911 /nfs/dbraw/zinc/36/49/11/1085364911.db2.gz VLEAIEMVICPEKB-UHFFFAOYSA-N 0 3 311.429 3.043 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001269399276 1085366669 /nfs/dbraw/zinc/36/66/69/1085366669.db2.gz ZHPYEESVTSZWNY-PKOBYXMFSA-N 0 3 314.473 3.349 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1C[C@H]1C1CCCC1)C(C)C ZINC001284554041 1085476679 /nfs/dbraw/zinc/47/66/79/1085476679.db2.gz YBUOTRHWJSVUBG-ROUUACIJSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCCC(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001269633589 1085505029 /nfs/dbraw/zinc/50/50/29/1085505029.db2.gz BVYWLXBMIBYNEC-NRFANRHFSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(CC(C)C)CCC3)C2)C1 ZINC001269736185 1085545803 /nfs/dbraw/zinc/54/58/03/1085545803.db2.gz IPYSILADVYJNCX-LJQANCHMSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCCC)C(C)C)C2)C1 ZINC001269745685 1085550561 /nfs/dbraw/zinc/55/05/61/1085550561.db2.gz RHTHDDKNLVVERK-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001269746861 1085552004 /nfs/dbraw/zinc/55/20/04/1085552004.db2.gz LOCDZLGLEHGQPE-QGZVFWFLSA-N 0 3 320.864 3.200 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001269755101 1085555644 /nfs/dbraw/zinc/55/56/44/1085555644.db2.gz JFZNWKRYDGKKLV-NVXWUHKLSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC001270010973 1085652136 /nfs/dbraw/zinc/65/21/36/1085652136.db2.gz PEYCDSZZGRRASJ-BZUAXINKSA-N 0 3 319.449 3.102 20 30 DGEDHN C[C@H](C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1)C1CCC1 ZINC001270077646 1085679827 /nfs/dbraw/zinc/67/98/27/1085679827.db2.gz SSUHOPYUMALVGG-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270112508 1085696583 /nfs/dbraw/zinc/69/65/83/1085696583.db2.gz GSPAHUVJFFFZJL-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001270526797 1085845654 /nfs/dbraw/zinc/84/56/54/1085845654.db2.gz WFJYKFHJJBMPTP-ZDUSSCGKSA-N 0 3 324.415 3.409 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccc(OC)c(C)c2)C1 ZINC001270557623 1085860819 /nfs/dbraw/zinc/86/08/19/1085860819.db2.gz MLVCBERKACETOF-LJQANCHMSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCc2ccc(Cl)cc2)C1 ZINC001270599328 1085877461 /nfs/dbraw/zinc/87/74/61/1085877461.db2.gz DURCBOLLENXKGB-GOSISDBHSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001270599763 1085878412 /nfs/dbraw/zinc/87/84/12/1085878412.db2.gz MXCSSRWLIHSHFU-SFHVURJKSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001270649618 1085916797 /nfs/dbraw/zinc/91/67/97/1085916797.db2.gz PDHNSNYDUINKKY-AWEZNQCLSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001270659857 1085924845 /nfs/dbraw/zinc/92/48/45/1085924845.db2.gz WREJFZXXMUOTJB-APWZRJJASA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2occc2Cl)CCCC1 ZINC001270792379 1085996668 /nfs/dbraw/zinc/99/66/68/1085996668.db2.gz YKYLAYCIIPZNHM-UHFFFAOYSA-N 0 3 317.216 3.318 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001482328001 1086010697 /nfs/dbraw/zinc/01/06/97/1086010697.db2.gz QWDBRRNSTAYYRF-YVEFUNNKSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001270845878 1086044461 /nfs/dbraw/zinc/04/44/61/1086044461.db2.gz XQXDALHBRCDEBO-UHFFFAOYSA-N 0 3 302.462 3.255 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCCC)[C@H](OC)C1 ZINC001211861935 1086073047 /nfs/dbraw/zinc/07/30/47/1086073047.db2.gz HRHUHNNXWMRNSS-IAGOWNOFSA-N 0 3 310.482 3.129 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC(C)C)CC1 ZINC001105386968 1086086941 /nfs/dbraw/zinc/08/69/41/1086086941.db2.gz KGBNYQZOSKRMES-IBGZPJMESA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(C)cc(F)c1)C2 ZINC001143585444 1086093378 /nfs/dbraw/zinc/09/33/78/1086093378.db2.gz ADZWKIQRYMMEQE-MOPGFXCFSA-N 0 3 319.420 3.460 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001482443383 1086189591 /nfs/dbraw/zinc/18/95/91/1086189591.db2.gz PTTBXTRZILMAEE-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCc1oc(C)nc1C ZINC001482444129 1086201442 /nfs/dbraw/zinc/20/14/42/1086201442.db2.gz IWYZDFCMWDTSLV-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001270948083 1086209371 /nfs/dbraw/zinc/20/93/71/1086209371.db2.gz OVIWXJOMQCUAOK-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001270976195 1086227513 /nfs/dbraw/zinc/22/75/13/1086227513.db2.gz MDTICCDBHZUGED-QGZVFWFLSA-N 0 3 314.473 3.157 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccsc2C)C1 ZINC001271000039 1086240012 /nfs/dbraw/zinc/24/00/12/1086240012.db2.gz SMZDCQHFHDFXJN-QGZVFWFLSA-N 0 3 306.475 3.003 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2OC)[C@H]1CC ZINC001087646867 1086337576 /nfs/dbraw/zinc/33/75/76/1086337576.db2.gz XOIBCUPUIPBUPB-DLBZAZTESA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)[C@H]1CC ZINC001087706001 1086369940 /nfs/dbraw/zinc/36/99/40/1086369940.db2.gz UVKFKEYOMSBPHN-LSDHHAIUSA-N 0 3 322.836 3.117 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087744584 1086392507 /nfs/dbraw/zinc/39/25/07/1086392507.db2.gz YCPJSYFINWIJBB-NZSAHSFTSA-N 0 3 312.457 3.091 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)[C@H]1CC ZINC001087753293 1086398108 /nfs/dbraw/zinc/39/81/08/1086398108.db2.gz AVGJFIMPTHFVGC-OFQRWUPVSA-N 0 3 319.449 3.347 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H]1CC ZINC001087806855 1086419797 /nfs/dbraw/zinc/41/97/97/1086419797.db2.gz DOZFFWPRAJHIKT-FUHWJXTLSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1CC ZINC001087815830 1086422953 /nfs/dbraw/zinc/42/29/53/1086422953.db2.gz FUIVKAQMDAIHRU-JKSUJKDBSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1CC ZINC001087838037 1086436779 /nfs/dbraw/zinc/43/67/79/1086436779.db2.gz OSCWBDCAYHQJHZ-RYQLBKOJSA-N 0 3 300.446 3.254 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1coc(C)c1)c1ccccc1CC ZINC001271445274 1086634040 /nfs/dbraw/zinc/63/40/40/1086634040.db2.gz FEVOBTZJTKDJHZ-GOSISDBHSA-N 0 3 312.413 3.397 20 30 DGEDHN CC(C)[C@@H]1CN(Cc2cc(C#N)ccc2N(C)C)CCS1 ZINC001204682282 1086659333 /nfs/dbraw/zinc/65/93/33/1086659333.db2.gz QFYHFNVSUWKIRJ-KRWDZBQOSA-N 0 3 303.475 3.198 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccsc2)C1 ZINC001088257038 1086727176 /nfs/dbraw/zinc/72/71/76/1086727176.db2.gz FFGGVTUKMABNLP-CQSZACIVSA-N 0 3 312.866 3.475 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCc2ccco2)C1 ZINC001088260410 1086734268 /nfs/dbraw/zinc/73/42/68/1086734268.db2.gz FJYSZSYJNMHVQR-OAHLLOKOSA-N 0 3 324.852 3.326 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cccc(C)n2)C1 ZINC001088264311 1086739910 /nfs/dbraw/zinc/73/99/10/1086739910.db2.gz ARJLASWZDSNLMI-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC001088297099 1086773586 /nfs/dbraw/zinc/77/35/86/1086773586.db2.gz HOPDTWAWOCQTPG-CVEARBPZSA-N 0 3 323.868 3.162 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001271812460 1086778595 /nfs/dbraw/zinc/77/85/95/1086778595.db2.gz MKCGQPNJRZHKME-XUVXKRRUSA-N 0 3 324.468 3.064 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C#CC1CC1)N[C@@H](C)c1ccccc1F ZINC001482530427 1086780843 /nfs/dbraw/zinc/78/08/43/1086780843.db2.gz ZDGFWOPGUUQTFS-KBXCAEBGSA-N 0 3 316.420 3.031 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc2c(o1)CCCC2)C(C)C ZINC001482534156 1086792399 /nfs/dbraw/zinc/79/23/99/1086792399.db2.gz QHELYRYFJUQOTQ-AWEZNQCLSA-N 0 3 324.852 3.255 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001088333283 1086805339 /nfs/dbraw/zinc/80/53/39/1086805339.db2.gz GPOGATDXKFBAHN-QWHCGFSZSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001088333282 1086805563 /nfs/dbraw/zinc/80/55/63/1086805563.db2.gz GPOGATDXKFBAHN-OLZOCXBDSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC001088335873 1086817555 /nfs/dbraw/zinc/81/75/55/1086817555.db2.gz PFDODIRIKUBNFS-HNNXBMFYSA-N 0 3 323.868 3.358 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2ccccc2)C1 ZINC001088337799 1086822475 /nfs/dbraw/zinc/82/24/75/1086822475.db2.gz OEMGZMIUSISBJA-KRWDZBQOSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CC2CCC1CC2)C(C)C ZINC001271941271 1086850506 /nfs/dbraw/zinc/85/05/06/1086850506.db2.gz NVJLARBAMYUASM-FJBKBRRZSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001088378599 1086887338 /nfs/dbraw/zinc/88/73/38/1086887338.db2.gz NJQGLTUZBFKFBR-HNNXBMFYSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C[C@@H](C(=O)N1CCCCC[C@H](NCCF)C1)c1ccccc1 ZINC001088429222 1086930083 /nfs/dbraw/zinc/93/00/83/1086930083.db2.gz LXCODVDRUQVFEC-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@](CNCCF)(c2ccccc2)C1 ZINC001105425535 1086953565 /nfs/dbraw/zinc/95/35/65/1086953565.db2.gz LPDUECDAZVAOBX-IZAXUBKRSA-N 0 3 318.436 3.118 20 30 DGEDHN C[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)C#CC1CC1 ZINC001272014187 1086969557 /nfs/dbraw/zinc/96/95/57/1086969557.db2.gz XSPGOYYHASCEHE-AWEZNQCLSA-N 0 3 318.848 3.205 20 30 DGEDHN CC[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C#CC1CC1 ZINC001482594934 1087024313 /nfs/dbraw/zinc/02/43/13/1087024313.db2.gz DSUPJXXIMDBVCV-GOSISDBHSA-N 0 3 316.420 3.080 20 30 DGEDHN C=CC1(CC(=O)NCCCNCc2conc2C)CCCCC1 ZINC001168182582 1087028307 /nfs/dbraw/zinc/02/83/07/1087028307.db2.gz FZFDXLCHSGPIPL-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001272086687 1087113947 /nfs/dbraw/zinc/11/39/47/1087113947.db2.gz DUJUCPNCICCMQB-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)[nH]c1C ZINC001505836242 1087156796 /nfs/dbraw/zinc/15/67/96/1087156796.db2.gz BDJVZBZQNJHZJK-UHFFFAOYSA-N 0 3 311.857 3.072 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001482833279 1087166974 /nfs/dbraw/zinc/16/69/74/1087166974.db2.gz FDAZKDQDOZYODX-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001482836487 1087168289 /nfs/dbraw/zinc/16/82/89/1087168289.db2.gz LNAQEHKALRPKFD-OAHLLOKOSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H](C)CCNCC(=C)Cl)c1ccccc1 ZINC001482902987 1087185115 /nfs/dbraw/zinc/18/51/15/1087185115.db2.gz VWQZPVVKVSGPGM-HOCLYGCPSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001272172100 1087226447 /nfs/dbraw/zinc/22/64/47/1087226447.db2.gz JJODGQFWUOYYPN-CQSZACIVSA-N 0 3 320.502 3.453 20 30 DGEDHN CCC(=CC(=O)NC/C=C\CNCc1ccc(C#N)cc1)CC ZINC001482996915 1087227022 /nfs/dbraw/zinc/22/70/22/1087227022.db2.gz GSDKBQLAXPFKGG-WAYWQWQTSA-N 0 3 311.429 3.067 20 30 DGEDHN C[C@]1(C(=O)NC/C=C/CNCc2cccc(C#N)c2)CC=CCC1 ZINC001483012672 1087234817 /nfs/dbraw/zinc/23/48/17/1087234817.db2.gz PQXQPLORTAGAJN-XJDXJNMNSA-N 0 3 323.440 3.067 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001272185366 1087236010 /nfs/dbraw/zinc/23/60/10/1087236010.db2.gz LOTDGRWRTZHDRM-UHFFFAOYSA-N 0 3 320.864 3.491 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3ccncc3s2)[C@H]1C ZINC001088623966 1087237545 /nfs/dbraw/zinc/23/75/45/1087237545.db2.gz FOAPSHUJVMPVQV-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc3cc(F)ccc23)[C@H]1C ZINC001088686846 1087253476 /nfs/dbraw/zinc/25/34/76/1087253476.db2.gz KCTNLNRNKICZHC-WBMJQRKESA-N 0 3 316.376 3.341 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001101015203 1087309395 /nfs/dbraw/zinc/30/93/95/1087309395.db2.gz MAADCNPZEAILIO-VMBOVVBDSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(CC(C)C)cc2)[C@H]1C ZINC001088718100 1087317675 /nfs/dbraw/zinc/31/76/75/1087317675.db2.gz QXBJLTFTNKLNPR-APWZRJJASA-N 0 3 314.473 3.193 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CCC1CCCC1 ZINC001483106574 1087345946 /nfs/dbraw/zinc/34/59/46/1087345946.db2.gz OZJVVMANWJUXCW-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN CC[C@@H](NC[C@@H](C)NC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001483126900 1087387155 /nfs/dbraw/zinc/38/71/55/1087387155.db2.gz YXDPGQHQOSEKHQ-CXAGYDPISA-N 0 3 322.399 3.170 20 30 DGEDHN CC[C@H](NC[C@@H](C)NC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001483126901 1087387268 /nfs/dbraw/zinc/38/72/68/1087387268.db2.gz YXDPGQHQOSEKHQ-DYVFJYSZSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@H]1C ZINC001088833018 1087402819 /nfs/dbraw/zinc/40/28/19/1087402819.db2.gz VKYFTOISKKGPHU-RISCZKNCSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1C ZINC001088834766 1087415768 /nfs/dbraw/zinc/41/57/68/1087415768.db2.gz LXRLINWJJRCSQX-PBHICJAKSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@H](C)c1cccc(OC)c1 ZINC001483320910 1087468475 /nfs/dbraw/zinc/46/84/75/1087468475.db2.gz RZQSOOYSOBTQLX-LSDHHAIUSA-N 0 3 304.434 3.159 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C#CC(C)(C)C ZINC001483336198 1087474219 /nfs/dbraw/zinc/47/42/19/1087474219.db2.gz KVXULOGAVMJDGY-CQSZACIVSA-N 0 3 320.864 3.326 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cccc(C)c3)[C@@H]2C)C1 ZINC001088839798 1087476023 /nfs/dbraw/zinc/47/60/23/1087476023.db2.gz FGABIHBEBNZVLH-AEFFLSMTSA-N 0 3 312.457 3.430 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483381364 1087486728 /nfs/dbraw/zinc/48/67/28/1087486728.db2.gz XFYRKZAFOQKYTM-HNAYVOBHSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1sc(C)cc1C ZINC001483467934 1087510297 /nfs/dbraw/zinc/51/02/97/1087510297.db2.gz UHQNFGZKFPLUAM-UHFFFAOYSA-N 0 3 300.855 3.169 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)[C@@H](C)[C@@H](C)CC ZINC001483500338 1087516179 /nfs/dbraw/zinc/51/61/79/1087516179.db2.gz OROHRKBGRHIKCH-AAEUAGOBSA-N 0 3 319.287 3.015 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H]1C ZINC001088878071 1087594502 /nfs/dbraw/zinc/59/45/02/1087594502.db2.gz AJVOEBZVRIZWCV-ABAIWWIYSA-N 0 3 310.800 3.248 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)[C@H]1C ZINC001088950852 1087608677 /nfs/dbraw/zinc/60/86/77/1087608677.db2.gz LISYDPUCCOJHCM-WBVHZDCISA-N 0 3 323.440 3.001 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)[C@H]1C ZINC001089000901 1087620016 /nfs/dbraw/zinc/62/00/16/1087620016.db2.gz DTWROEQBGQMQRA-BEFAXECRSA-N 0 3 306.409 3.056 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC001089028278 1087623945 /nfs/dbraw/zinc/62/39/45/1087623945.db2.gz MIVRDUCFABDTIW-WBVHZDCISA-N 0 3 300.446 3.119 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccc(C)cc3)CCC2)[C@H]1C ZINC001089068671 1087630391 /nfs/dbraw/zinc/63/03/91/1087630391.db2.gz PBKQDGWKXLMZNL-MJGOQNOKSA-N 0 3 324.468 3.019 20 30 DGEDHN CCCC(=O)N1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001089103659 1087638935 /nfs/dbraw/zinc/63/89/35/1087638935.db2.gz XGFXNUGRNLGDQS-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H](C)c2ccccc2C)CCC1 ZINC001280522620 1087649650 /nfs/dbraw/zinc/64/96/50/1087649650.db2.gz NULSJUHRPOJASR-QGZVFWFLSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)(F)F ZINC001099126577 1087661768 /nfs/dbraw/zinc/66/17/68/1087661768.db2.gz VECREPDQVWZFCF-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001099131352 1087668612 /nfs/dbraw/zinc/66/86/12/1087668612.db2.gz UPFFDUUYMXPHDR-DWRORGKVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001483693786 1087672316 /nfs/dbraw/zinc/67/23/16/1087672316.db2.gz HGIOZLRQCBHPSA-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001483702585 1087677552 /nfs/dbraw/zinc/67/75/52/1087677552.db2.gz OUXFAMJTBSDRSS-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN CCC[C@H](C)CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272431750 1087702189 /nfs/dbraw/zinc/70/21/89/1087702189.db2.gz MTRLUYDXSRNQKD-WMZOPIPTSA-N 0 3 305.466 3.183 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)CCOC(C)C ZINC001158369161 1087793200 /nfs/dbraw/zinc/79/32/00/1087793200.db2.gz CPYCWDMWMWOBJW-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)NCCNCc1cncn1C ZINC001151847888 1087794947 /nfs/dbraw/zinc/79/49/47/1087794947.db2.gz BLFZMAFKVUUPTC-INIZCTEOSA-N 0 3 322.497 3.013 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2F)CC(C)(C)C1 ZINC001089302234 1087798030 /nfs/dbraw/zinc/79/80/30/1087798030.db2.gz AVTAECWUSRLAHD-OAHLLOKOSA-N 0 3 316.420 3.069 20 30 DGEDHN CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)c(C#N)c1 ZINC001151922108 1087827135 /nfs/dbraw/zinc/82/71/35/1087827135.db2.gz WJLIQXUVLOYGHW-CQSZACIVSA-N 0 3 319.424 3.214 20 30 DGEDHN C#Cc1ccc(CNC(=O)c2ccc(NC3=NCCC3)cc2)cc1 ZINC001158503348 1087877852 /nfs/dbraw/zinc/87/78/52/1087877852.db2.gz CRCANORTGSFYGC-UHFFFAOYSA-N 0 3 317.392 3.202 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000176534986 1087895489 /nfs/dbraw/zinc/89/54/89/1087895489.db2.gz PVNACXPNCNRFGV-GFCCVEGCSA-N 0 3 320.776 3.352 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)CCc1c(F)cccc1F ZINC001152313491 1087943880 /nfs/dbraw/zinc/94/38/80/1087943880.db2.gz OFCHEJBDGDERDW-CQSZACIVSA-N 0 3 324.415 3.300 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC(F)(F)F ZINC001099203144 1087962195 /nfs/dbraw/zinc/96/21/95/1087962195.db2.gz JZZZLRHHRWVJSG-STQMWFEESA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC(F)(F)F ZINC001099203142 1087962725 /nfs/dbraw/zinc/96/27/25/1087962725.db2.gz JZZZLRHHRWVJSG-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)CC(C)(C)C1 ZINC001089321613 1087987778 /nfs/dbraw/zinc/98/77/78/1087987778.db2.gz RSUJCYRGCCQACB-ZDUSSCGKSA-N 0 3 322.836 3.177 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC1CCC1 ZINC001152579567 1088009179 /nfs/dbraw/zinc/00/91/79/1088009179.db2.gz XVMJJJMVZXUBII-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(F)cc1C ZINC001158768027 1088021048 /nfs/dbraw/zinc/02/10/48/1088021048.db2.gz DOKAZTWTSDVHDZ-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN N#Cc1cccc(CNCCNC(=O)CCCC2CCCC2)c1 ZINC001152677250 1088045214 /nfs/dbraw/zinc/04/52/14/1088045214.db2.gz RIYBNIAUKJDGCX-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccccc1Cl ZINC001158829777 1088059831 /nfs/dbraw/zinc/05/98/31/1088059831.db2.gz GKYQGRXQZSBMSX-MRXNPFEDSA-N 0 3 320.864 3.381 20 30 DGEDHN CC1(C)CCC[C@H](C(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001152831530 1088092019 /nfs/dbraw/zinc/09/20/19/1088092019.db2.gz VAQYCPUIMFOZRD-ZDUSSCGKSA-N 0 3 319.474 3.042 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1csc(C2CC2)n1 ZINC001158949890 1088113007 /nfs/dbraw/zinc/11/30/07/1088113007.db2.gz UKWFNLNIPYWKIP-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN CCN(Cc1cccc(Cl)c1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207722 1088186953 /nfs/dbraw/zinc/18/69/53/1088186953.db2.gz RDZYFTJLFSFJOP-OAHLLOKOSA-N 0 3 320.864 3.326 20 30 DGEDHN C[C@H]1CCCC[C@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001153253472 1088204855 /nfs/dbraw/zinc/20/48/55/1088204855.db2.gz LPSGLTZLAFFLCS-KBPBESRZSA-N 0 3 319.474 3.042 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001153343375 1088224113 /nfs/dbraw/zinc/22/41/13/1088224113.db2.gz JZEVZZKINJMHKU-BZUAXINKSA-N 0 3 318.486 3.010 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(F)cc2ccoc21 ZINC001154096066 1088474491 /nfs/dbraw/zinc/47/44/91/1088474491.db2.gz MJNPLDSKGAZSMI-CYBMUJFWSA-N 0 3 316.376 3.035 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCc1ccc(Cl)cc1 ZINC001154140373 1088489070 /nfs/dbraw/zinc/48/90/70/1088489070.db2.gz MPBKTGPCPQCAJR-OAHLLOKOSA-N 0 3 320.864 3.123 20 30 DGEDHN Cc1cc2[nH]ccc2c(NC(=N)c2ccc3ccccc3n2)n1 ZINC001159900102 1088539121 /nfs/dbraw/zinc/53/91/21/1088539121.db2.gz XSUIESMWRXBLGB-UHFFFAOYSA-N 0 3 301.353 3.457 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(C(F)F)c1 ZINC001154283599 1088548905 /nfs/dbraw/zinc/54/89/05/1088548905.db2.gz FCONKSHRTPICIA-CQSZACIVSA-N 0 3 322.399 3.017 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)CC(C)(C)C1 ZINC001089386726 1088558049 /nfs/dbraw/zinc/55/80/49/1088558049.db2.gz SKJDRPQDXDGIKO-IRXDYDNUSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(F)cc1C ZINC001272666735 1088593408 /nfs/dbraw/zinc/59/34/08/1088593408.db2.gz FRKXSDDEUBHPKJ-LJQANCHMSA-N 0 3 316.420 3.277 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001154406228 1088597172 /nfs/dbraw/zinc/59/71/72/1088597172.db2.gz ICCYKVPLVJOCCC-CYBMUJFWSA-N 0 3 314.429 3.108 20 30 DGEDHN C=C1CCC(C(=O)NCC2(NCc3ccsc3)CC2)CC1 ZINC001483764370 1088647344 /nfs/dbraw/zinc/64/73/44/1088647344.db2.gz JDALOYPUFQCOQH-UHFFFAOYSA-N 0 3 304.459 3.233 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)CC(C)(C)C1 ZINC001089477760 1088670548 /nfs/dbraw/zinc/67/05/48/1088670548.db2.gz ZUBIRXNJBHWVFB-QGZVFWFLSA-N 0 3 323.440 3.022 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)CCc1csc(C)n1 ZINC001154605882 1088673371 /nfs/dbraw/zinc/67/33/71/1088673371.db2.gz TZRKAFLBQALFPZ-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)CC(C)(C)C1 ZINC001089508486 1088706394 /nfs/dbraw/zinc/70/63/94/1088706394.db2.gz XKZRUUYLSFKYPP-QGZVFWFLSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)CC(C)(C)C1 ZINC001089539285 1088722319 /nfs/dbraw/zinc/72/23/19/1088722319.db2.gz KJTBUIGBUYBLPS-AEFFLSMTSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)CC(C)(C)C1 ZINC001089554790 1088738838 /nfs/dbraw/zinc/73/88/38/1088738838.db2.gz ZVQWEUNEKABXCF-MRXNPFEDSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)CC(C)(C)C1 ZINC001089562152 1088750433 /nfs/dbraw/zinc/75/04/33/1088750433.db2.gz WQDVYZZGUTYEQM-GNZRSQJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)CC(C)(C)C1 ZINC001089564687 1088751979 /nfs/dbraw/zinc/75/19/79/1088751979.db2.gz AFLJCKABUVSVHF-GNZRSQJKSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001089566525 1088753642 /nfs/dbraw/zinc/75/36/42/1088753642.db2.gz NULGBXNMIXRVKT-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001089566529 1088754966 /nfs/dbraw/zinc/75/49/66/1088754966.db2.gz NULGBXNMIXRVKT-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001089600252 1088795869 /nfs/dbraw/zinc/79/58/69/1088795869.db2.gz CSQGSOVCYCYKOC-KRWDZBQOSA-N 0 3 316.420 3.069 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001089605936 1088809454 /nfs/dbraw/zinc/80/94/54/1088809454.db2.gz RHYSZFDXEZNXDB-HNNXBMFYSA-N 0 3 304.434 3.385 20 30 DGEDHN C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001089610270 1088819535 /nfs/dbraw/zinc/81/95/35/1088819535.db2.gz RBOLLEHITOOODK-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001089610270 1088819546 /nfs/dbraw/zinc/81/95/46/1088819546.db2.gz RBOLLEHITOOODK-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc2c1CCCCC2 ZINC001160522170 1088852776 /nfs/dbraw/zinc/85/27/76/1088852776.db2.gz WQSPNEZQJMJYJC-UHFFFAOYSA-N 0 3 320.864 3.418 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001154957975 1088853443 /nfs/dbraw/zinc/85/34/43/1088853443.db2.gz TUBXDXICFDOVCT-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(C)oc(C)c2C)CC1 ZINC001160627794 1088898077 /nfs/dbraw/zinc/89/80/77/1088898077.db2.gz FFBYHQKQTCUDOF-UHFFFAOYSA-N 0 3 302.418 3.143 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CCc2ccc(C)cc2)CC1 ZINC001160637225 1088900114 /nfs/dbraw/zinc/90/01/14/1088900114.db2.gz YVQZYAQVGMWTEB-UHFFFAOYSA-N 0 3 324.468 3.089 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2CCC3(CC3)CC2)CC1 ZINC001160688966 1088920938 /nfs/dbraw/zinc/92/09/38/1088920938.db2.gz UNGBJOKDSMSTSS-UHFFFAOYSA-N 0 3 302.462 3.281 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001483826482 1088926995 /nfs/dbraw/zinc/92/69/95/1088926995.db2.gz KWNFRISKIOBQJE-KDURUIRLSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001483830578 1088932809 /nfs/dbraw/zinc/93/28/09/1088932809.db2.gz PHTLQVLLCCJUJV-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001483832323 1088935187 /nfs/dbraw/zinc/93/51/87/1088935187.db2.gz BOEXYAZSLAHYSY-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@]3(CCN(C[C@H](F)CC)C3)C2)CCC1 ZINC001483849654 1088951033 /nfs/dbraw/zinc/95/10/33/1088951033.db2.gz ZPGTVZDRGZZICL-AEFFLSMTSA-N 0 3 322.468 3.405 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1nc(Cl)c(F)cc1C#N ZINC001155248876 1089023855 /nfs/dbraw/zinc/02/38/55/1089023855.db2.gz ZJCRGTVANLUVLD-MRVPVSSYSA-N 0 3 315.739 3.104 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc(C2(C#N)CCC2)cn1 ZINC001155254500 1089028875 /nfs/dbraw/zinc/02/88/75/1089028875.db2.gz MSINOLWVCXXTIK-ZDUSSCGKSA-N 0 3 317.396 3.385 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2(CCC)CCC2)CC1 ZINC001160941781 1089031082 /nfs/dbraw/zinc/03/10/82/1089031082.db2.gz PPZZWDHPAWWZIT-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC(C1CCC1)C1CCC1 ZINC001155273367 1089038927 /nfs/dbraw/zinc/03/89/27/1089038927.db2.gz PPDTVCSOEKJAEO-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cncc(-c2ccc(F)cc2)n1 ZINC001160957703 1089041375 /nfs/dbraw/zinc/04/13/75/1089041375.db2.gz PNINJNKTHZFFOH-INIZCTEOSA-N 0 3 312.392 3.345 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(-c2ccccn2)nc(C)c1C ZINC001160957135 1089042646 /nfs/dbraw/zinc/04/26/46/1089042646.db2.gz GCLJWDAOYYHIFH-INIZCTEOSA-N 0 3 323.444 3.218 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCC12CC2)C1CCN(CC(=C)C)CC1 ZINC001483984359 1089068732 /nfs/dbraw/zinc/06/87/32/1089068732.db2.gz XNGCXEZAVQJHHW-SFHVURJKSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CCN(CC=C(C)C)CC1 ZINC001483987196 1089072976 /nfs/dbraw/zinc/07/29/76/1089072976.db2.gz HJDUJXNIBBUXGM-IEBWSBKVSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001089669191 1089076823 /nfs/dbraw/zinc/07/68/23/1089076823.db2.gz IKAGNBPAOAOFPO-ARFHVFGLSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001484019650 1089104587 /nfs/dbraw/zinc/10/45/87/1089104587.db2.gz HNHKJCHJKMTDGE-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN Cc1ccc(CN2CC[C@](C)(NC(=O)C#CC(C)C)C2)c(C)c1 ZINC001484044065 1089124134 /nfs/dbraw/zinc/12/41/34/1089124134.db2.gz CVPQJBLPIHBKKH-FQEVSTJZSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCCCC(=O)N[C@@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001484056524 1089146756 /nfs/dbraw/zinc/14/67/56/1089146756.db2.gz AYPJCKMDCNPQFP-IBGZPJMESA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc3cc[nH]c32)CC1 ZINC001161291553 1089179157 /nfs/dbraw/zinc/17/91/57/1089179157.db2.gz LNRZLIQAXXNZAH-UHFFFAOYSA-N 0 3 309.413 3.106 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001089692689 1089198494 /nfs/dbraw/zinc/19/84/94/1089198494.db2.gz AQUKYQAMUPXCMC-FCEWJHQRSA-N 0 3 304.478 3.360 20 30 DGEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N[C@H]1CN2CCC1CC2 ZINC001155662527 1089203703 /nfs/dbraw/zinc/20/37/03/1089203703.db2.gz JDVABEPDWDBBAO-SFHVURJKSA-N 0 3 322.387 3.265 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001089702147 1089241768 /nfs/dbraw/zinc/24/17/68/1089241768.db2.gz UVLSVCWPDZXNFE-BZUAXINKSA-N 0 3 316.445 3.176 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001161444735 1089246823 /nfs/dbraw/zinc/24/68/23/1089246823.db2.gz JFRRKZICUNLXCA-DLBZAZTESA-N 0 3 318.505 3.466 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2cc(C)ccc2F)C1 ZINC001484172846 1089255422 /nfs/dbraw/zinc/25/54/22/1089255422.db2.gz HWYAWMOBCKKTDX-IBGZPJMESA-N 0 3 318.436 3.081 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccoc2C(C)C)C1 ZINC001484173253 1089255985 /nfs/dbraw/zinc/25/59/85/1089255985.db2.gz FFOVOISYLYQTAQ-IBGZPJMESA-N 0 3 316.445 3.258 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC001161485512 1089261312 /nfs/dbraw/zinc/26/13/12/1089261312.db2.gz KWXWUMAQLGAMHV-OAHLLOKOSA-N 0 3 316.445 3.324 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001089708135 1089273785 /nfs/dbraw/zinc/27/37/85/1089273785.db2.gz CIIBHNMVMWGGEI-IXDOHACOSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001161597666 1089301633 /nfs/dbraw/zinc/30/16/33/1089301633.db2.gz FBZQWLWIIHZTLM-ROUUACIJSA-N 0 3 302.462 3.137 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3cnccc3c2)CC1 ZINC001161645940 1089330104 /nfs/dbraw/zinc/33/01/04/1089330104.db2.gz UZEHULARGNDFPV-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccc(C=C)cc1 ZINC001484400472 1089403948 /nfs/dbraw/zinc/40/39/48/1089403948.db2.gz VUUWWWYNYXBARD-UHFFFAOYSA-N 0 3 318.420 3.195 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC1CC1 ZINC001089785793 1089422463 /nfs/dbraw/zinc/42/24/63/1089422463.db2.gz DHCRXWMJCBKWRO-HZMVEIRTSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CCNCc2ncc(C)s2)C1 ZINC001484522391 1089462379 /nfs/dbraw/zinc/46/23/79/1089462379.db2.gz DNVKJJJZQLMHQH-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001484525026 1089463510 /nfs/dbraw/zinc/46/35/10/1089463510.db2.gz CKQKRFZWIFSQNH-LSDHHAIUSA-N 0 3 310.869 3.147 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CC(C2CC2)C2CC2)CC1 ZINC001161959389 1089493814 /nfs/dbraw/zinc/49/38/14/1089493814.db2.gz QKPJLPPWMXZHSW-UHFFFAOYSA-N 0 3 302.462 3.137 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC001484561056 1089494319 /nfs/dbraw/zinc/49/43/19/1089494319.db2.gz KYQXQGWUDTWWEJ-YSSFQJQWSA-N 0 3 324.468 3.413 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2(C)CCC(C)CC2)CC1 ZINC001161968014 1089498526 /nfs/dbraw/zinc/49/85/26/1089498526.db2.gz CFXJYIDBYOZNJF-UHFFFAOYSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC001161973358 1089503639 /nfs/dbraw/zinc/50/36/39/1089503639.db2.gz VPZIYVBHSHGBQJ-OAQYLSRUSA-N 0 3 324.468 3.215 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](CCCC)C(C)C)C2)CC1 ZINC001484581392 1089516072 /nfs/dbraw/zinc/51/60/72/1089516072.db2.gz DYLUZCMSOSQSQA-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CC/C=C\c3ccccc3)C2)CC1 ZINC001484582503 1089518726 /nfs/dbraw/zinc/51/87/26/1089518726.db2.gz HWLHHPIBIDRBQU-POHAHGRESA-N 0 3 322.452 3.038 20 30 DGEDHN C[C@H](C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001484614934 1089539264 /nfs/dbraw/zinc/53/92/64/1089539264.db2.gz JRWWUHPJSXCNJP-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(C)c(F)c1)CC2 ZINC001272686869 1089552942 /nfs/dbraw/zinc/55/29/42/1089552942.db2.gz RLUDOBGOXPTWGW-INIZCTEOSA-N 0 3 316.420 3.038 20 30 DGEDHN N#Cc1cnc(NC[C@H](c2ccccc2)N2CCCC2)c(C#N)c1 ZINC001156528653 1089563779 /nfs/dbraw/zinc/56/37/79/1089563779.db2.gz BRULEDZZZQBDJE-GOSISDBHSA-N 0 3 317.396 3.074 20 30 DGEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C(C)(C)C ZINC001156540842 1089571130 /nfs/dbraw/zinc/57/11/30/1089571130.db2.gz IQTWMYFHXUZRQU-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001156672709 1089634816 /nfs/dbraw/zinc/63/48/16/1089634816.db2.gz WATFOWOPSPBGSH-QGZVFWFLSA-N 0 3 306.425 3.286 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(Cc2ccccc2)CCC1 ZINC001156672316 1089635253 /nfs/dbraw/zinc/63/52/53/1089635253.db2.gz KYVCWUXTJPNJTA-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2nc(C)ccc2c1 ZINC001156672152 1089635518 /nfs/dbraw/zinc/63/55/18/1089635518.db2.gz ICLLTXUWLGOXEF-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCn1cc2ccc(NC(=O)C3(N(C)C)CCCC3)cc2n1 ZINC001156690835 1089650770 /nfs/dbraw/zinc/65/07/70/1089650770.db2.gz UAQRZTUCAVWDOV-UHFFFAOYSA-N 0 3 312.417 3.035 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@]2(C)CC=CCC2)cc1 ZINC001272690996 1089708931 /nfs/dbraw/zinc/70/89/31/1089708931.db2.gz GQYHLTKFZCLAQK-JXFKEZNVSA-N 0 3 310.441 3.333 20 30 DGEDHN C[C@H](Nc1cc(Cl)nc2c1CCNC2)c1cccc(C#N)c1 ZINC001156876071 1089727875 /nfs/dbraw/zinc/72/78/75/1089727875.db2.gz HKGQLPFXTDORNY-NSHDSACASA-N 0 3 312.804 3.425 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001484975164 1089793781 /nfs/dbraw/zinc/79/37/81/1089793781.db2.gz CGHUWWGLYLPXKY-AEFFLSMTSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001485000011 1089821592 /nfs/dbraw/zinc/82/15/92/1089821592.db2.gz QABJJCUMUZQZNR-BHYGNILZSA-N 0 3 320.864 3.335 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)C)s1 ZINC001157183900 1089862287 /nfs/dbraw/zinc/86/22/87/1089862287.db2.gz CTLLAASDISVVJC-CQSZACIVSA-N 0 3 306.475 3.335 20 30 DGEDHN O=C(CC1CCC1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001485035692 1089870756 /nfs/dbraw/zinc/87/07/56/1089870756.db2.gz MRDSHIZRJREEPD-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN CCCc1cc(C#N)c(N2C[C@@H]3CCCN(C)[C@@H]3C2)nc1Cl ZINC001157263321 1089893085 /nfs/dbraw/zinc/89/30/85/1089893085.db2.gz AAFYTGXLMZLPDV-DZGCQCFKSA-N 0 3 318.852 3.090 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)/C(C)=C/CC ZINC001162733160 1089911361 /nfs/dbraw/zinc/91/13/61/1089911361.db2.gz QMXSSYZGZMDNDY-VCHYOVAHSA-N 0 3 312.457 3.027 20 30 DGEDHN C=CCCC(=O)N(CCNC/C=C/Cl)CCc1ccccc1 ZINC001162737631 1089914451 /nfs/dbraw/zinc/91/44/51/1089914451.db2.gz JYUYCPGQSSVGGS-KPKJPENVSA-N 0 3 320.864 3.366 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(C(F)(F)F)CCCC1 ZINC001485079532 1089917447 /nfs/dbraw/zinc/91/74/47/1089917447.db2.gz KCUOXVRCQNYUAC-CYBMUJFWSA-N 0 3 318.383 3.218 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccccc2)co1 ZINC001157357980 1089922204 /nfs/dbraw/zinc/92/22/04/1089922204.db2.gz NVPAHLQLQKBDRS-MRXNPFEDSA-N 0 3 324.424 3.410 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC001485075681 1089927688 /nfs/dbraw/zinc/92/76/88/1089927688.db2.gz NZESFGNQHFDFBY-IBGZPJMESA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)c2cccnc12 ZINC001162763739 1089936727 /nfs/dbraw/zinc/93/67/27/1089936727.db2.gz WLOLMXMDGWLOLK-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)c2cccs2)C1 ZINC001485102784 1089946548 /nfs/dbraw/zinc/94/65/48/1089946548.db2.gz RTACETAEJKFKCH-PNESKVBLSA-N 0 3 312.866 3.089 20 30 DGEDHN COc1ccc(-n2c3ccccc3nc2[C@H](C)N)c(CC#N)c1 ZINC001162776944 1089949973 /nfs/dbraw/zinc/94/99/73/1089949973.db2.gz GRQBGPVJIGTPEZ-LBPRGKRZSA-N 0 3 306.369 3.120 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc2c(c1)CC/C2=N/O ZINC001162779192 1089951481 /nfs/dbraw/zinc/95/14/81/1089951481.db2.gz WNYAVRXORLZCNI-CIFSEPIQSA-N 0 3 306.369 3.170 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001157477532 1089987434 /nfs/dbraw/zinc/98/74/34/1089987434.db2.gz ZPLFFHISISRUKJ-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C[C@H]1C=CCCC1 ZINC001162841105 1089987733 /nfs/dbraw/zinc/98/77/33/1089987733.db2.gz MDDYHILFYYKYNS-FQEVSTJZSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(F)cc1 ZINC001485244252 1090051079 /nfs/dbraw/zinc/05/10/79/1090051079.db2.gz ZUHFQWMKMFXFKZ-UHFFFAOYSA-N 0 3 312.816 3.266 20 30 DGEDHN C[C@H](NCCCNC(=O)C#CC(C)(C)C)c1c(F)cccc1F ZINC001157736380 1090091027 /nfs/dbraw/zinc/09/10/27/1090091027.db2.gz GSIBZICAVQJDNW-ZDUSSCGKSA-N 0 3 322.399 3.171 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(F)cc2)CC1 ZINC001163181019 1090104096 /nfs/dbraw/zinc/10/40/96/1090104096.db2.gz PNUWMYNGYODJQP-UHFFFAOYSA-N 0 3 310.800 3.068 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001485333617 1090106898 /nfs/dbraw/zinc/10/68/98/1090106898.db2.gz FXIWDYDUMGHOJH-AWEZNQCLSA-N 0 3 308.853 3.204 20 30 DGEDHN N#Cc1nccc2cc(N[C@@H]3CNCc4ccsc43)ccc12 ZINC001163229365 1090126486 /nfs/dbraw/zinc/12/64/86/1090126486.db2.gz ICYNMTZFPBBHOA-MRXNPFEDSA-N 0 3 306.394 3.424 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485354709 1090131666 /nfs/dbraw/zinc/13/16/66/1090131666.db2.gz AJYZNMLRTNMBBK-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001485359120 1090132786 /nfs/dbraw/zinc/13/27/86/1090132786.db2.gz URJVMRVVTXLHGI-FUHWJXTLSA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001485359122 1090132800 /nfs/dbraw/zinc/13/28/00/1090132800.db2.gz URJVMRVVTXLHGI-WMZOPIPTSA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2ccns2)CCCCC1 ZINC001485454667 1090161567 /nfs/dbraw/zinc/16/15/67/1090161567.db2.gz HQHXOONMICXYFG-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001485479514 1090185344 /nfs/dbraw/zinc/18/53/44/1090185344.db2.gz LISYRHFKGOSQMR-ZTBDEIDFSA-N 0 3 324.468 3.169 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H]1CCCCCN1CC#CC)c1ccccc1 ZINC001485485660 1090192741 /nfs/dbraw/zinc/19/27/41/1090192741.db2.gz RZEUPWGWQMWVJZ-UXHICEINSA-N 0 3 324.468 3.340 20 30 DGEDHN CCCCCCCN1CC([C@@H](C)NC(=O)C(=O)C(C)(C)C)C1 ZINC001485499421 1090193495 /nfs/dbraw/zinc/19/34/95/1090193495.db2.gz YFAFVRFVSFKANY-CQSZACIVSA-N 0 3 310.482 3.009 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)c(OC)c1 ZINC001158194844 1090199366 /nfs/dbraw/zinc/19/93/66/1090199366.db2.gz KQBFSRPDGSOQPT-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C(C)(C)C)on1 ZINC001158228092 1090205122 /nfs/dbraw/zinc/20/51/22/1090205122.db2.gz SBEXEPKFVNEDBY-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc(C)cc1C ZINC001163514653 1090205225 /nfs/dbraw/zinc/20/52/25/1090205225.db2.gz GKXDNMRNJUXUBG-UHFFFAOYSA-N 0 3 308.853 3.084 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2cc(F)ccc2F)C1 ZINC001485684674 1090240764 /nfs/dbraw/zinc/24/07/64/1090240764.db2.gz QHPWMNRRVSKDEE-SAZUREKKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001485732858 1090253437 /nfs/dbraw/zinc/25/34/37/1090253437.db2.gz PGLBIFUBBWXITP-HNNXBMFYSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(CF)cc1 ZINC001485751518 1090266412 /nfs/dbraw/zinc/26/64/12/1090266412.db2.gz NYGDUPUOKIUGII-CYBMUJFWSA-N 0 3 312.816 3.397 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)c(C)cc1Cl ZINC001163883950 1090280008 /nfs/dbraw/zinc/28/00/08/1090280008.db2.gz SWYMFBVBIRBYGA-UHFFFAOYSA-N 0 3 315.244 3.419 20 30 DGEDHN CN(C)C1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)C1 ZINC001163943107 1090292581 /nfs/dbraw/zinc/29/25/81/1090292581.db2.gz ZRIKXXDFFPAWEJ-UHFFFAOYSA-N 0 3 321.211 3.163 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1cccc(F)c1Cl ZINC001163953549 1090296688 /nfs/dbraw/zinc/29/66/88/1090296688.db2.gz VFUOEQDSPSPZDF-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cscc2C)CC1 ZINC001163986926 1090308539 /nfs/dbraw/zinc/30/85/39/1090308539.db2.gz HADZGIYJRNWBKP-UHFFFAOYSA-N 0 3 312.866 3.299 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(F)=C2CCCC2)CC1 ZINC001164058665 1090330413 /nfs/dbraw/zinc/33/04/13/1090330413.db2.gz RMQXPBFLGMKXJD-UHFFFAOYSA-N 0 3 314.832 3.413 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCNCc1ccc(F)cc1F ZINC001164324022 1090400601 /nfs/dbraw/zinc/40/06/01/1090400601.db2.gz NJHOYOLHOGOJQQ-CYBMUJFWSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1ccc(F)cc1F ZINC001164324023 1090400780 /nfs/dbraw/zinc/40/07/80/1090400780.db2.gz NJHOYOLHOGOJQQ-ZDUSSCGKSA-N 0 3 310.388 3.163 20 30 DGEDHN CC[C@@H](F)CN1CC[C@@]2(CNC(=O)C#CC(C)(C)C)CCC[C@@H]12 ZINC001107400046 1090432726 /nfs/dbraw/zinc/43/27/26/1090432726.db2.gz XJDGALNCAUHNAA-GPMSIDNRSA-N 0 3 322.468 3.145 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107417385 1090434250 /nfs/dbraw/zinc/43/42/50/1090434250.db2.gz FHELWKABEGJFHH-SJLPKXTDSA-N 0 3 308.441 3.085 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001164589565 1090444604 /nfs/dbraw/zinc/44/46/04/1090444604.db2.gz KROVUPIFELEPFF-OWCLPIDISA-N 0 3 322.880 3.217 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001164649514 1090451349 /nfs/dbraw/zinc/45/13/49/1090451349.db2.gz SUTDXLLTGANCIS-UHFFFAOYSA-N 0 3 310.869 3.383 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@@H](C)CCC)C[C@@H](C)O2 ZINC001111539426 1090454879 /nfs/dbraw/zinc/45/48/79/1090454879.db2.gz ZDBSEOYFBHKVBA-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN Cc1ccc(N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)nc1C#N ZINC001165201609 1090479171 /nfs/dbraw/zinc/47/91/71/1090479171.db2.gz HPXXNKGEALLWEO-SJORKVTESA-N 0 3 320.440 3.361 20 30 DGEDHN Cc1ccc(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)nc1C#N ZINC001165201608 1090479220 /nfs/dbraw/zinc/47/92/20/1090479220.db2.gz HPXXNKGEALLWEO-IRXDYDNUSA-N 0 3 320.440 3.361 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107742022 1090496011 /nfs/dbraw/zinc/49/60/11/1090496011.db2.gz WPFYKAZODZXMII-FUHWJXTLSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001165535280 1090528882 /nfs/dbraw/zinc/52/88/82/1090528882.db2.gz IJANOJPOHVYLCW-UHFFFAOYSA-N 0 3 307.438 3.059 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCCC23CC3)CC1 ZINC001165736582 1090543190 /nfs/dbraw/zinc/54/31/90/1090543190.db2.gz KUVXAGUPRLGHRT-CQSZACIVSA-N 0 3 310.869 3.195 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(CC(C)C)CCCC1 ZINC001168560007 1090559331 /nfs/dbraw/zinc/55/93/31/1090559331.db2.gz KQVWMUKPGIPUDW-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C1CCC(C(=O)NCCCNCC=C(Cl)Cl)CC1 ZINC001165907169 1090559688 /nfs/dbraw/zinc/55/96/88/1090559688.db2.gz UJZXWPJQAQIWCV-UHFFFAOYSA-N 0 3 305.249 3.148 20 30 DGEDHN COc1ccc([C@@H]2C[C@@H](NCC3(C#N)CCC3)CCO2)cc1 ZINC001168577792 1090574317 /nfs/dbraw/zinc/57/43/17/1090574317.db2.gz RLVGRYGYSSAJQF-RDJZCZTQSA-N 0 3 300.402 3.199 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969525 1090589593 /nfs/dbraw/zinc/58/95/93/1090589593.db2.gz PBDOSTXYEOZSCA-LPHOPBHVSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCNCc2cc(F)ccc2Cl)C1 ZINC001166249084 1090592981 /nfs/dbraw/zinc/59/29/81/1090592981.db2.gz MTYPLKOQIUGPMW-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C(C)C)nc1 ZINC001272829364 1090648635 /nfs/dbraw/zinc/64/86/35/1090648635.db2.gz JDRIYVQFZDSJAG-CYBMUJFWSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCC1(CNCc2ccns2)CC1 ZINC001166770458 1090654547 /nfs/dbraw/zinc/65/45/47/1090654547.db2.gz YJEVQSZNSRTSEE-CQSZACIVSA-N 0 3 321.490 3.122 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(C)cs1 ZINC001272871543 1090661709 /nfs/dbraw/zinc/66/17/09/1090661709.db2.gz DLZLCOMZBGBHHG-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2occc2c1 ZINC001272880356 1090666379 /nfs/dbraw/zinc/66/63/79/1090666379.db2.gz GVCZNILPMNIOBB-FQEVSTJZSA-N 0 3 322.408 3.023 20 30 DGEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ccc(F)cc1)CC2 ZINC001272914845 1090679190 /nfs/dbraw/zinc/67/91/90/1090679190.db2.gz IJTVABAYUJDMFA-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc3ccccc3c2)C1=O ZINC001272925753 1090693598 /nfs/dbraw/zinc/69/35/98/1090693598.db2.gz LKCDZCWGSINCBQ-NRFANRHFSA-N 0 3 318.420 3.040 20 30 DGEDHN CCC[C@H](C)CCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001128152779 1090697330 /nfs/dbraw/zinc/69/73/30/1090697330.db2.gz QTHXUYYJSCDQBF-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN CCOCCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC001167037361 1090700436 /nfs/dbraw/zinc/70/04/36/1090700436.db2.gz CHRLGRCRSUHCSC-HNNXBMFYSA-N 0 3 302.418 3.137 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2ccsc2)CCC1 ZINC001485919813 1090727305 /nfs/dbraw/zinc/72/73/05/1090727305.db2.gz MKOIUBPGOZJJHM-AWEZNQCLSA-N 0 3 306.475 3.431 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccccc1OC)C2 ZINC001203432661 1090733973 /nfs/dbraw/zinc/73/39/73/1090733973.db2.gz YVIFBKFYCDESOF-MJGOQNOKSA-N 0 3 317.429 3.021 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001486135576 1090759640 /nfs/dbraw/zinc/75/96/40/1090759640.db2.gz QGBXJELKIJUODT-WMZOPIPTSA-N 0 3 306.494 3.297 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1C ZINC001486170529 1090772678 /nfs/dbraw/zinc/77/26/78/1090772678.db2.gz JAZVRUGNEDYWHZ-HOTGVXAUSA-N 0 3 322.493 3.317 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ncc(C)cc1C)C(C)C ZINC001486372232 1090812275 /nfs/dbraw/zinc/81/22/75/1090812275.db2.gz AXRALODJLILTFP-UHFFFAOYSA-N 0 3 303.450 3.057 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C)cc1Cl)C(C)C ZINC001486375440 1090813632 /nfs/dbraw/zinc/81/36/32/1090813632.db2.gz HXNKVVDSQJCNQE-UHFFFAOYSA-N 0 3 320.864 3.454 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1OCc2ccccc21)C(C)C ZINC001486379962 1090815682 /nfs/dbraw/zinc/81/56/82/1090815682.db2.gz UZJWGQQPDILABT-SFHVURJKSA-N 0 3 316.445 3.003 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccccc1F)C(C)(C)C ZINC001486389702 1090820801 /nfs/dbraw/zinc/82/08/01/1090820801.db2.gz RDNXEKDHFMWCPI-MRXNPFEDSA-N 0 3 306.425 3.412 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)CCC[C@]1(O)C(F)(F)F ZINC001203900105 1090833535 /nfs/dbraw/zinc/83/35/35/1090833535.db2.gz RZVICQLTDFHXOX-SWLSCSKDSA-N 0 3 312.335 3.084 20 30 DGEDHN CCCc1noc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC001203905220 1090834888 /nfs/dbraw/zinc/83/48/88/1090834888.db2.gz XOPXORNQUGYFFM-MRXNPFEDSA-N 0 3 310.401 3.273 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CCCCCC(C)C)CC1 ZINC001486449360 1090839121 /nfs/dbraw/zinc/83/91/21/1090839121.db2.gz UDUUVCBUFZEOCZ-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C(C)=C/CC)CC[C@@H]1C(F)(F)F ZINC001486451327 1090839895 /nfs/dbraw/zinc/83/98/95/1090839895.db2.gz MQGTZWDNUXLJHA-GNZFURHMSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCCC(=O)NCC1=CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001486503695 1090858499 /nfs/dbraw/zinc/85/84/99/1090858499.db2.gz BRSATYMLCWWWEN-UHFFFAOYSA-N 0 3 323.440 3.382 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccc(O)cc3)C2)cc1 ZINC001204099552 1090902934 /nfs/dbraw/zinc/90/29/34/1090902934.db2.gz ZQONFHZKCAVQLC-LJQANCHMSA-N 0 3 308.381 3.307 20 30 DGEDHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccccc2C#N)o1 ZINC001204367231 1090958128 /nfs/dbraw/zinc/95/81/28/1090958128.db2.gz CRXKXWKSFWZIBH-UXHICEINSA-N 0 3 321.424 3.309 20 30 DGEDHN Cc1cc(C#N)ccc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001204537063 1090995012 /nfs/dbraw/zinc/99/50/12/1090995012.db2.gz BZBFMUBTXMUXFY-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN Cc1ccc(C#N)c(Nc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC001204746903 1091028070 /nfs/dbraw/zinc/02/80/70/1091028070.db2.gz GTMBWSUIYACMQL-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3c(F)cccc3C#N)cc2)CC1 ZINC001204746788 1091028132 /nfs/dbraw/zinc/02/81/32/1091028132.db2.gz DJEZOIFDTGARPY-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001098852109 1091029727 /nfs/dbraw/zinc/02/97/27/1091029727.db2.gz BSHYWTZNHNMYCY-LNLFQRSKSA-N 0 3 302.462 3.280 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2CCCc2ccc(C)o2)C1=O ZINC001273087593 1091032577 /nfs/dbraw/zinc/03/25/77/1091032577.db2.gz SNULHLGAPLMCMX-IBGZPJMESA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C(C)(C)Cc1ccccc1 ZINC001273103485 1091038286 /nfs/dbraw/zinc/03/82/86/1091038286.db2.gz DFQCMNCXFRCRNX-OAHLLOKOSA-N 0 3 322.880 3.492 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc(C)c(F)c1)CC2 ZINC001205222697 1091136651 /nfs/dbraw/zinc/13/66/51/1091136651.db2.gz MWATUFAPLRQOQJ-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C#CCOc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)cc1OC ZINC001138343754 1091146667 /nfs/dbraw/zinc/14/66/67/1091146667.db2.gz PAXRJISOMFRRLY-CABCVRRESA-N 0 3 321.367 3.184 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108148734 1091152374 /nfs/dbraw/zinc/15/23/74/1091152374.db2.gz NNZWPCUMZXMBAB-APWZRJJASA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC001205312130 1091178858 /nfs/dbraw/zinc/17/88/58/1091178858.db2.gz FJUCQYQICHXFFZ-HNNXBMFYSA-N 0 3 313.401 3.045 20 30 DGEDHN COc1cc(C)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1OC ZINC001138439434 1091185866 /nfs/dbraw/zinc/18/58/66/1091185866.db2.gz KYIGRZYEKOOLFV-MKZZRHPPSA-N 0 3 300.402 3.279 20 30 DGEDHN C#CCOc1ccc(CN2CCC(Oc3ccncc3)CC2)cc1 ZINC001138556089 1091229006 /nfs/dbraw/zinc/22/90/06/1091229006.db2.gz FEWYVPIDGQQUMY-UHFFFAOYSA-N 0 3 322.408 3.137 20 30 DGEDHN C=CCCCC(=O)NC[C@@]1(C)CN(C[C@H](C)CC(C)C)CCO1 ZINC001108169546 1091261126 /nfs/dbraw/zinc/26/11/26/1091261126.db2.gz QMJAOMOOKWFWTH-MJGOQNOKSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@H](C(=O)OCC)C2)c1[O-] ZINC001138629685 1091264775 /nfs/dbraw/zinc/26/47/75/1091264775.db2.gz FNCRJLCBZRXRCC-QGZVFWFLSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@H](C(=O)OCC)C2)c1[O-] ZINC001138629685 1091264777 /nfs/dbraw/zinc/26/47/77/1091264777.db2.gz FNCRJLCBZRXRCC-QGZVFWFLSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCCCC(=O)NC[C@@]1(C)CN(CC2CCCCC2)CCO1 ZINC001108171318 1091268854 /nfs/dbraw/zinc/26/88/54/1091268854.db2.gz FMJHHGLTIIIFQO-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN CC(C)[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001273165775 1091304549 /nfs/dbraw/zinc/30/45/49/1091304549.db2.gz DPPVDADPPJYIIT-CYBMUJFWSA-N 0 3 319.474 3.040 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)cc(Cl)cc3F)CCC2S1 ZINC001139048721 1091429005 /nfs/dbraw/zinc/42/90/05/1091429005.db2.gz BROJMCKGNSMDOC-ZDUSSCGKSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)C ZINC001098895996 1091434661 /nfs/dbraw/zinc/43/46/61/1091434661.db2.gz ZZQFVGIXWANLJU-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sccc3Cl)[C@@H]2C1 ZINC001084364829 1091482793 /nfs/dbraw/zinc/48/27/93/1091482793.db2.gz GMZHDMOYJKGXET-DGCLKSJQSA-N 0 3 310.850 3.124 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3scnc3c2)no1 ZINC001206094438 1091489050 /nfs/dbraw/zinc/48/90/50/1091489050.db2.gz MPFQAVYZLCXJRR-UHFFFAOYSA-N 0 3 312.398 3.455 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C)c(OC)c(C)c2)no1 ZINC001206099825 1091492698 /nfs/dbraw/zinc/49/26/98/1091492698.db2.gz FZMOSVLGGUWMOD-UHFFFAOYSA-N 0 3 313.401 3.471 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(OC(C)C)nc2)no1 ZINC001206099802 1091492800 /nfs/dbraw/zinc/49/28/00/1091492800.db2.gz FKVFKJORJFBGHH-UHFFFAOYSA-N 0 3 314.389 3.028 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCCCCCC3)[C@@H]2C1 ZINC001084508682 1091498066 /nfs/dbraw/zinc/49/80/66/1091498066.db2.gz WHKOSUIXRPQQOI-QZTJIDSGSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cc4ccccc4o3)[C@@H]2C1 ZINC001084562896 1091506401 /nfs/dbraw/zinc/50/64/01/1091506401.db2.gz IXMMCFXXPZAGBX-SJLPKXTDSA-N 0 3 324.424 3.084 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001084687473 1091536684 /nfs/dbraw/zinc/53/66/84/1091536684.db2.gz DQGXEZMDINDYMC-QZTJIDSGSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(Cl)cs3)[C@@H]2C1 ZINC001084702890 1091543141 /nfs/dbraw/zinc/54/31/41/1091543141.db2.gz XXXYSCQRWGTWGG-DGCLKSJQSA-N 0 3 310.850 3.124 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084783058 1091562840 /nfs/dbraw/zinc/56/28/40/1091562840.db2.gz WIFFKFCQFYEIMN-BHIYHBOVSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(CC)c(C)s3)[C@@H]2C1 ZINC001084819097 1091583842 /nfs/dbraw/zinc/58/38/42/1091583842.db2.gz IKLRFPVRRZNKPJ-HZPDHXFCSA-N 0 3 318.486 3.341 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)COC1CCCC1 ZINC001098933469 1091631172 /nfs/dbraw/zinc/63/11/72/1091631172.db2.gz YDSKLVYVYJZXBL-INIZCTEOSA-N 0 3 322.493 3.129 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)CC1CCCC1 ZINC001273249489 1091631345 /nfs/dbraw/zinc/63/13/45/1091631345.db2.gz RXFDMBYEXRHAOY-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1cc(C#N)ccc1F)C2 ZINC001139645875 1091632475 /nfs/dbraw/zinc/63/24/75/1091632475.db2.gz CTERNXWYWAMEFH-AEFFLSMTSA-N 0 3 302.393 3.336 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001139650550 1091634104 /nfs/dbraw/zinc/63/41/04/1091634104.db2.gz LDLWXIDAEWAITG-ZWKOTPCHSA-N 0 3 319.399 3.096 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001206490366 1091646682 /nfs/dbraw/zinc/64/66/82/1091646682.db2.gz MACWAGRCUAHQPZ-RHSMWYFYSA-N 0 3 304.409 3.059 20 30 DGEDHN N#Cc1cccc2c(CN3CC[C@@H](Oc4ccncc4)C3)c[nH]c21 ZINC001139706461 1091648212 /nfs/dbraw/zinc/64/82/12/1091648212.db2.gz UPHOEGLEAOZVMH-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN CCOC(=O)[C@H]1CCCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139725920 1091654614 /nfs/dbraw/zinc/65/46/14/1091654614.db2.gz JLDFXPOJWSCROR-INIZCTEOSA-N 0 3 300.402 3.032 20 30 DGEDHN Cc1ccc(CN2CC[C@H](CC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139725907 1091655110 /nfs/dbraw/zinc/65/51/10/1091655110.db2.gz IYUJYICUAMISEF-MRXNPFEDSA-N 0 3 314.429 3.420 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C ZINC001206537529 1091662367 /nfs/dbraw/zinc/66/23/67/1091662367.db2.gz XNHGGPIENRXSFU-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Oc1ccccc1Cl ZINC001139865796 1091696011 /nfs/dbraw/zinc/69/60/11/1091696011.db2.gz RAASCSFFXDYIJP-AWEZNQCLSA-N 0 3 324.852 3.074 20 30 DGEDHN C=CCN(CC=C)Cc1c[nH]c2nccc(Br)c12 ZINC001139947555 1091720990 /nfs/dbraw/zinc/72/09/90/1091720990.db2.gz NNCZFHZVRVLIJT-UHFFFAOYSA-N 0 3 306.207 3.499 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC)c1C ZINC001085306430 1091741477 /nfs/dbraw/zinc/74/14/77/1091741477.db2.gz ZIKITFPNSBDJDF-HZPDHXFCSA-N 0 3 323.868 3.200 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C1CC1)C1CC1 ZINC001085388222 1091761422 /nfs/dbraw/zinc/76/14/22/1091761422.db2.gz ZMHOTOHXQOSFQS-HUUCEWRRSA-N 0 3 310.869 3.192 20 30 DGEDHN Cc1noc(C2CCN(Cc3c[nH]c4ccc(C#N)cc34)CC2)n1 ZINC001140115815 1091773514 /nfs/dbraw/zinc/77/35/14/1091773514.db2.gz MYYOMLIZOKMIMJ-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN CC1(C)OCCC12CCN(Cc1ccc(C#N)cc1F)CC2 ZINC001140139790 1091781626 /nfs/dbraw/zinc/78/16/26/1091781626.db2.gz LINAOKKVEQMOGB-UHFFFAOYSA-N 0 3 302.393 3.478 20 30 DGEDHN CC1/C(=C\c2ccc3c(c2)CCC(C)(C)O3)C(=O)c2ncnn21 ZINC000828330317 1091822517 /nfs/dbraw/zinc/82/25/17/1091822517.db2.gz ISFIVBZMWUCDMS-ZECSTPGPSA-N 0 3 309.369 3.223 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001085633023 1091864867 /nfs/dbraw/zinc/86/48/67/1091864867.db2.gz KFEGDHWLOIUUQP-AWEZNQCLSA-N 0 3 323.387 3.132 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085642499 1091866306 /nfs/dbraw/zinc/86/63/06/1091866306.db2.gz NUOCMKCJPMQEPR-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(C(F)F)c1 ZINC001297372737 1091870570 /nfs/dbraw/zinc/87/05/70/1091870570.db2.gz CEHYUIMTTIMFOE-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(C)CCC(F)(F)CC1 ZINC001297373230 1091870660 /nfs/dbraw/zinc/87/06/60/1091870660.db2.gz PDQJWSFKSMOEOK-UHFFFAOYSA-N 0 3 302.409 3.168 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)oc1C(F)(F)F ZINC001297373323 1091870724 /nfs/dbraw/zinc/87/07/24/1091870724.db2.gz RWLQYHSFZLLOHD-UHFFFAOYSA-N 0 3 318.339 3.187 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Cc1ccccc1Cl ZINC001297372784 1091871194 /nfs/dbraw/zinc/87/11/94/1091871194.db2.gz DZZKEERTMZJPSX-OAHLLOKOSA-N 0 3 322.880 3.485 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001085711033 1091895271 /nfs/dbraw/zinc/89/52/71/1091895271.db2.gz YFYQOKYRNSGHBE-HNNXBMFYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001085753926 1091912643 /nfs/dbraw/zinc/91/26/43/1091912643.db2.gz UUSTXDAGXSNXSX-HNNXBMFYSA-N 0 3 315.392 3.029 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(O)c(C)c1)C2 ZINC001140575749 1091916143 /nfs/dbraw/zinc/91/61/43/1091916143.db2.gz XAYKMMHGPWMQKS-IEBWSBKVSA-N 0 3 317.429 3.027 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CN1CCC[C@H](CC#N)C1 ZINC001207315460 1091922115 /nfs/dbraw/zinc/92/21/15/1091922115.db2.gz QYBRPEXEYKXURU-CVEARBPZSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nccc2ccccc21 ZINC001085791052 1091934501 /nfs/dbraw/zinc/93/45/01/1091934501.db2.gz YVWVGGKQOIAOHR-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CN1CCC[C@@H](C#N)CC1 ZINC001207376106 1091944394 /nfs/dbraw/zinc/94/43/94/1091944394.db2.gz UBFVMAIDVUFNTC-CABCVRRESA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(CCC)cc2)C1=O ZINC001273363855 1091948658 /nfs/dbraw/zinc/94/86/58/1091948658.db2.gz QRFDGLLWILEIFP-HXUWFJFHSA-N 0 3 312.457 3.392 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1Cl ZINC001085833642 1091962600 /nfs/dbraw/zinc/96/26/00/1091962600.db2.gz PALSLGLEPZJGML-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc2ccccc2c1 ZINC001085844346 1091971026 /nfs/dbraw/zinc/97/10/26/1091971026.db2.gz KZRZDNAPPZDDAS-GOSISDBHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OCC)c(C)c1 ZINC001085850194 1091978568 /nfs/dbraw/zinc/97/85/68/1091978568.db2.gz QGZSHXGSPYNEQG-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN CN(C)[C@@H]1CCOc2c(Nc3cnc(C#N)c(F)c3)cccc21 ZINC001203063039 1091984180 /nfs/dbraw/zinc/98/41/80/1091984180.db2.gz WRADEJMUXYVFNF-MRXNPFEDSA-N 0 3 312.348 3.221 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1Cl ZINC001085879820 1091995323 /nfs/dbraw/zinc/99/53/23/1091995323.db2.gz HKRGHVQPDLRPIS-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001297931261 1091997191 /nfs/dbraw/zinc/99/71/91/1091997191.db2.gz YOUHUUJHNPFAJW-UHFFFAOYSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(CC(C)C)c[nH]1 ZINC001085929285 1092021140 /nfs/dbraw/zinc/02/11/40/1092021140.db2.gz SXTVAYVUEFWLFN-QGZVFWFLSA-N 0 3 317.477 3.326 20 30 DGEDHN N#Cc1ccc(N2CCN(CCCc3cccc(F)c3)CC2)cc1 ZINC001207603141 1092036840 /nfs/dbraw/zinc/03/68/40/1092036840.db2.gz YBLOSAZHSNWVKT-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001207606279 1092038265 /nfs/dbraw/zinc/03/82/65/1092038265.db2.gz GYTCWRGIWLCCOT-KRWDZBQOSA-N 0 3 320.408 3.135 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085951535 1092039298 /nfs/dbraw/zinc/03/92/98/1092039298.db2.gz IBOKHUTYPRVRJW-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001085951445 1092039890 /nfs/dbraw/zinc/03/98/90/1092039890.db2.gz GOPVSZROXGOUAH-NVXWUHKLSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1OC ZINC001085958677 1092049486 /nfs/dbraw/zinc/04/94/86/1092049486.db2.gz HNTOZHMZPNSNGU-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)c(Cl)c1 ZINC001085964842 1092064596 /nfs/dbraw/zinc/06/45/96/1092064596.db2.gz SOYCXHHCMGRAOX-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995437 1092081566 /nfs/dbraw/zinc/08/15/66/1092081566.db2.gz MMTVZBPFXBOHQN-QGZVFWFLSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391288 1092110869 /nfs/dbraw/zinc/11/08/69/1092110869.db2.gz GKHAKEOOUJOCFI-JKSUJKDBSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391288 1092110873 /nfs/dbraw/zinc/11/08/73/1092110873.db2.gz GKHAKEOOUJOCFI-JKSUJKDBSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(CC2(c3ccccc3)CC2)C1 ZINC001207840511 1092114900 /nfs/dbraw/zinc/11/49/00/1092114900.db2.gz KAOJAUNXQGPUAZ-KRWDZBQOSA-N 0 3 314.429 3.095 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC001086093676 1092130677 /nfs/dbraw/zinc/13/06/77/1092130677.db2.gz AIZAWPNDRZMNQN-AOOOYVTPSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001086143028 1092140789 /nfs/dbraw/zinc/14/07/89/1092140789.db2.gz VZORDJIROWCDIS-QXSJWSMHSA-N 0 3 324.896 3.462 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001207935860 1092147309 /nfs/dbraw/zinc/14/73/09/1092147309.db2.gz XFARWNOZJZXURK-QGZVFWFLSA-N 0 3 316.420 3.018 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001207944490 1092151590 /nfs/dbraw/zinc/15/15/90/1092151590.db2.gz ORNQUPWJZHMTRF-ZDUSSCGKSA-N 0 3 324.877 3.286 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2coc(C(F)F)c2)C1 ZINC001086178514 1092152883 /nfs/dbraw/zinc/15/28/83/1092152883.db2.gz IJHUZYXNOHJDDW-JGZJWPJOSA-N 0 3 318.751 3.068 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001086210901 1092166200 /nfs/dbraw/zinc/16/62/00/1092166200.db2.gz BYSKYPCOQNHTIB-JNSHFYNHSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cccc(F)c2)CCC1 ZINC001491577868 1092179909 /nfs/dbraw/zinc/17/99/09/1092179909.db2.gz CPWMPTAQMRYXON-AWEZNQCLSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3c(s2)CCC3)C1 ZINC001086266947 1092185104 /nfs/dbraw/zinc/18/51/04/1092185104.db2.gz DLIAGKVMVCIYQU-BJHJDKERSA-N 0 3 324.877 3.087 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001086268008 1092186758 /nfs/dbraw/zinc/18/67/58/1092186758.db2.gz JYOWOCYMBAGZAH-IYBDPMFKSA-N 0 3 320.864 3.462 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001086280845 1092189749 /nfs/dbraw/zinc/18/97/49/1092189749.db2.gz OZJLDVIRNCUOJH-XFHMXUHZSA-N 0 3 318.848 3.415 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001086280895 1092189885 /nfs/dbraw/zinc/18/98/85/1092189885.db2.gz QYMWROAFKYXOOE-ZNMIVQPWSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc3c2CCC3)C1 ZINC001086283696 1092191243 /nfs/dbraw/zinc/19/12/43/1092191243.db2.gz PAEQHTPGPDLXPO-OTVXOJSOSA-N 0 3 318.848 3.026 20 30 DGEDHN CC/C=C\CCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001273420149 1092204479 /nfs/dbraw/zinc/20/44/79/1092204479.db2.gz CNICTTWETRAYON-DDKKJVIOSA-N 0 3 303.450 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001086457732 1092260486 /nfs/dbraw/zinc/26/04/86/1092260486.db2.gz MVRKMPJWXFJAIY-AULYBMBSSA-N 0 3 308.809 3.008 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001208228525 1092283794 /nfs/dbraw/zinc/28/37/94/1092283794.db2.gz DWJCTUPFWBFRGC-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccsc2Cl)C1 ZINC001086495995 1092287277 /nfs/dbraw/zinc/28/72/77/1092287277.db2.gz KLZPHRPWKFTXLV-MGCOHNPYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001086517568 1092308541 /nfs/dbraw/zinc/30/85/41/1092308541.db2.gz RKOSMBPCDVXMNJ-KLHDSHLOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001086517569 1092309632 /nfs/dbraw/zinc/30/96/32/1092309632.db2.gz RKOSMBPCDVXMNJ-VGWMRTNUSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001491965744 1092327336 /nfs/dbraw/zinc/32/73/36/1092327336.db2.gz SQKBPTLQDJDJCQ-INIZCTEOSA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320292 1092331074 /nfs/dbraw/zinc/33/10/74/1092331074.db2.gz AQPYNXBJHVUIBY-LPHOPBHVSA-N 0 3 322.493 3.129 20 30 DGEDHN O=C1C=C2CN(Cc3coc4ccc(F)cc34)CCC2S1 ZINC001141848903 1092347657 /nfs/dbraw/zinc/34/76/57/1092347657.db2.gz LUZPLECETAIKJR-HNNXBMFYSA-N 0 3 303.358 3.346 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#Cc3ccccc3)s2)CC[C@H]1O ZINC001141973066 1092371653 /nfs/dbraw/zinc/37/16/53/1092371653.db2.gz XBCCZDUSIWQDMR-HNAYVOBHSA-N 0 3 311.450 3.351 20 30 DGEDHN C[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)s2)C[C@@H]1O ZINC001141972588 1092372607 /nfs/dbraw/zinc/37/26/07/1092372607.db2.gz MSLMJAWZQOGBKN-BEFAXECRSA-N 0 3 311.450 3.351 20 30 DGEDHN C[C@@H]1C[C@@H](O)CCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141978006 1092374866 /nfs/dbraw/zinc/37/48/66/1092374866.db2.gz WPQRFYBNISBSSF-WBVHZDCISA-N 0 3 311.450 3.493 20 30 DGEDHN CCCC(=O)N[C@@H](C)CCCCNCc1cc(F)ccc1C#N ZINC001168823575 1092382030 /nfs/dbraw/zinc/38/20/30/1092382030.db2.gz ZLOPCSZGMHGPAE-AWEZNQCLSA-N 0 3 319.424 3.262 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1sccc1CC ZINC001492128784 1092393120 /nfs/dbraw/zinc/39/31/20/1092393120.db2.gz FOWBIYOILZZPMV-LLVKDONJSA-N 0 3 300.855 3.161 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001208585198 1092412184 /nfs/dbraw/zinc/41/21/84/1092412184.db2.gz VUYBUMFOPXJESH-FVDXIBTGSA-N 0 3 312.457 3.493 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CCCc1ccc(Cl)cc1 ZINC001492317478 1092472382 /nfs/dbraw/zinc/47/23/82/1092472382.db2.gz KEOOAEQZDCZCRG-UHFFFAOYSA-N 0 3 308.853 3.287 20 30 DGEDHN CN(CCOCCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC001208746824 1092489375 /nfs/dbraw/zinc/48/93/75/1092489375.db2.gz DOCKYQQPPGQQIB-UHFFFAOYSA-N 0 3 324.424 3.223 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001208920678 1092588206 /nfs/dbraw/zinc/58/82/06/1092588206.db2.gz MLWFKKPPSBJKRC-CQSZACIVSA-N 0 3 300.299 3.325 20 30 DGEDHN N#Cc1ccc2c(CN(CCO)Cc3cccs3)c[nH]c2c1 ZINC001142928591 1092590196 /nfs/dbraw/zinc/59/01/96/1092590196.db2.gz DJZAVAPYRDTUBT-UHFFFAOYSA-N 0 3 311.410 3.096 20 30 DGEDHN Cc1cc(F)ccc1N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001208929756 1092591891 /nfs/dbraw/zinc/59/18/91/1092591891.db2.gz SYLAEWSNSJXXAY-UHFFFAOYSA-N 0 3 323.415 3.371 20 30 DGEDHN CCCN(CCCC1(C#N)CCOCC1)[C@H](CC)C(=O)OCC ZINC001169234949 1092604903 /nfs/dbraw/zinc/60/49/03/1092604903.db2.gz ZGPQMYJSXXOULF-MRXNPFEDSA-N 0 3 324.465 3.141 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCN(C3CCCCC3)CC2)c1F ZINC001143165293 1092626174 /nfs/dbraw/zinc/62/61/74/1092626174.db2.gz YEQPCKFWBSCEMT-UHFFFAOYSA-N 0 3 319.399 3.287 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)CC2CCCCC2)C(C)(C)C1 ZINC001276609723 1092628224 /nfs/dbraw/zinc/62/82/24/1092628224.db2.gz YBOAOTORTUEVNP-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN COC(=O)c1ccc2[nH]cc(CN3CCC[C@@H](C#N)CC3)c2c1 ZINC001143239797 1092640421 /nfs/dbraw/zinc/64/04/21/1092640421.db2.gz YNOBKZOUIULRPP-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)NCCCNCc1ccccc1C#N ZINC001169361034 1092652305 /nfs/dbraw/zinc/65/23/05/1092652305.db2.gz MALBTIRMLTVTAM-LJQANCHMSA-N 0 3 315.461 3.371 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001209107662 1092655203 /nfs/dbraw/zinc/65/52/03/1092655203.db2.gz XIZSFKKVFRNGAM-NZSAHSFTSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001209116814 1092658389 /nfs/dbraw/zinc/65/83/89/1092658389.db2.gz WXCZBBFVJYFUTC-NZSAHSFTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001209146070 1092670782 /nfs/dbraw/zinc/67/07/82/1092670782.db2.gz KIBHZNDQWPLDSX-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209145486 1092671013 /nfs/dbraw/zinc/67/10/13/1092671013.db2.gz DKGPNWVJHWXFRM-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001209146052 1092671425 /nfs/dbraw/zinc/67/14/25/1092671425.db2.gz KEYHRAAKYCYGBP-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209182877 1092683619 /nfs/dbraw/zinc/68/36/19/1092683619.db2.gz JIOPXXBYPMTBAJ-STQMWFEESA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001209184131 1092684415 /nfs/dbraw/zinc/68/44/15/1092684415.db2.gz QUJCGPTZJKLRSN-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209182872 1092684681 /nfs/dbraw/zinc/68/46/81/1092684681.db2.gz JIOPXXBYPMTBAJ-CHWSQXEVSA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCCCN1Cc2cn(CC3CCCC3)nc2[C@@H](COC)C1 ZINC001209263446 1092717926 /nfs/dbraw/zinc/71/79/26/1092717926.db2.gz LILKYBBWZFSVCL-GOSISDBHSA-N 0 3 315.461 3.032 20 30 DGEDHN CC1(C(=O)N[C@@H](CNCC#Cc2ccccc2)C2CC2)CCCC1 ZINC001276633254 1092737093 /nfs/dbraw/zinc/73/70/93/1092737093.db2.gz DYGCLTGVBADZPK-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001209334495 1092737745 /nfs/dbraw/zinc/73/77/45/1092737745.db2.gz DIVXUXYKKZUAFC-INIZCTEOSA-N 0 3 304.409 3.263 20 30 DGEDHN C=CCCCCCN1CCN(CCOC)c2ncccc2C1 ZINC001209424397 1092770079 /nfs/dbraw/zinc/77/00/79/1092770079.db2.gz QIWJQWCIRPSADX-UHFFFAOYSA-N 0 3 303.450 3.096 20 30 DGEDHN C=CCCCCCCN1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001209436419 1092775002 /nfs/dbraw/zinc/77/50/02/1092775002.db2.gz WAQWKYNSPLAYCN-QGZVFWFLSA-N 0 3 305.466 3.492 20 30 DGEDHN C=CCCCCCCCCN1CC2(C1)CCOC[C@@H]2C(=O)OC ZINC001209445207 1092776029 /nfs/dbraw/zinc/77/60/29/1092776029.db2.gz HGNCFOXCPIIHGB-QGZVFWFLSA-N 0 3 323.477 3.415 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001150579526 1092796510 /nfs/dbraw/zinc/79/65/10/1092796510.db2.gz NFYARCFCFCQHLJ-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001150579528 1092797203 /nfs/dbraw/zinc/79/72/03/1092797203.db2.gz NFYARCFCFCQHLJ-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001150796646 1092827689 /nfs/dbraw/zinc/82/76/89/1092827689.db2.gz WXHQMBSLEQYZBB-ROUUACIJSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCCC2CC2)CC1 ZINC001151281815 1092881900 /nfs/dbraw/zinc/88/19/00/1092881900.db2.gz RPLLWPMQGRUHKE-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCC2(C)CC2)CC1 ZINC001151381489 1092892071 /nfs/dbraw/zinc/89/20/71/1092892071.db2.gz QJRYMLUWADCPAK-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001209865530 1092955597 /nfs/dbraw/zinc/95/55/97/1092955597.db2.gz HXUCDBNDWBKSPL-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN CN(C)CCOc1cc(F)ccc1NC1=CC(=O)CC(C)(C)C1 ZINC001210156197 1093062645 /nfs/dbraw/zinc/06/26/45/1093062645.db2.gz NJSNBXKPHUBSAH-UHFFFAOYSA-N 0 3 320.408 3.451 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2ccccc2Cl)C1 ZINC001210858159 1093303223 /nfs/dbraw/zinc/30/32/23/1093303223.db2.gz GCKOJCQIFUIFFF-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001211183712 1093408675 /nfs/dbraw/zinc/40/86/75/1093408675.db2.gz FZGZVYHFEFXACA-IIDMSEBBSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001211211818 1093421991 /nfs/dbraw/zinc/42/19/91/1093421991.db2.gz HWRFCXPBTHJWPW-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001211235044 1093429559 /nfs/dbraw/zinc/42/95/59/1093429559.db2.gz GKXGPGIVBAQUMG-KBRIMQKVSA-N 0 3 320.864 3.456 20 30 DGEDHN C[C@@H](CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1)C1CC1 ZINC001211278734 1093440702 /nfs/dbraw/zinc/44/07/02/1093440702.db2.gz UOXPQGPGNXWCTF-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001211391074 1093478996 /nfs/dbraw/zinc/47/89/96/1093478996.db2.gz IWBIMYXKJCGKMN-ZHALLVOQSA-N 0 3 314.473 3.186 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(OC)c2F)no1 ZINC001211436411 1093493911 /nfs/dbraw/zinc/49/39/11/1093493911.db2.gz KFWQNIFFZUCNIS-UHFFFAOYSA-N 0 3 317.364 3.383 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001211438619 1093494489 /nfs/dbraw/zinc/49/44/89/1093494489.db2.gz UMPXSWPFWANIGD-HDMKZQKVSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)CCCCCC)[C@H](OC)C1 ZINC001213710682 1093646574 /nfs/dbraw/zinc/64/65/74/1093646574.db2.gz BISKOCIWVPKZQQ-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCN(C(=O)OCc1ccc(Cl)cc1)C1CCN(C)CC1 ZINC001213832243 1093667509 /nfs/dbraw/zinc/66/75/09/1093667509.db2.gz YZQIBLCIBDDALZ-UHFFFAOYSA-N 0 3 320.820 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001214741362 1093844860 /nfs/dbraw/zinc/84/48/60/1093844860.db2.gz HIXCMTNECWCIOY-RHSMWYFYSA-N 0 3 304.409 3.119 20 30 DGEDHN C[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001215367795 1093969882 /nfs/dbraw/zinc/96/98/82/1093969882.db2.gz WOQSKOHVRGTXCQ-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN CCCCC[C@@H](C)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001134824723 1094303640 /nfs/dbraw/zinc/30/36/40/1094303640.db2.gz UCOWWBMHDKLEKM-CQSZACIVSA-N 0 3 321.490 3.432 20 30 DGEDHN C=CCC[C@H](C(=O)N1C[C@@H](C)[C@H](NCCF)C1)c1ccccc1 ZINC001217110577 1094307404 /nfs/dbraw/zinc/30/74/04/1094307404.db2.gz IIWQXYWFMKCGOR-BPQIPLTHSA-N 0 3 318.436 3.142 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135181932 1094432332 /nfs/dbraw/zinc/43/23/32/1094432332.db2.gz WKPOURNVVNJBLN-STQMWFEESA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001120503472 1094444456 /nfs/dbraw/zinc/44/44/56/1094444456.db2.gz ROAUAGSHDMZJAG-SFHVURJKSA-N 0 3 316.445 3.305 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)C1(C)CCC1 ZINC001135208247 1094445792 /nfs/dbraw/zinc/44/57/92/1094445792.db2.gz QBWGWFUNRLVJPT-LSDHHAIUSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C[C@H](C)CC)[C@H]2C1 ZINC001217737042 1094486793 /nfs/dbraw/zinc/48/67/93/1094486793.db2.gz OYWIXSCMUIIESQ-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135330305 1094492703 /nfs/dbraw/zinc/49/27/03/1094492703.db2.gz NXORDNJQLNVMGK-LSDHHAIUSA-N 0 3 315.461 3.367 20 30 DGEDHN C=C(C)CCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001120706429 1094498160 /nfs/dbraw/zinc/49/81/60/1094498160.db2.gz ADMHNMRJPPAEMY-UHFFFAOYSA-N 0 3 316.445 3.186 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135357283 1094500902 /nfs/dbraw/zinc/50/09/02/1094500902.db2.gz AHVQMJVFLSEALT-OLZOCXBDSA-N 0 3 307.438 3.021 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OC(Cl)(Cl)c1ccccc1Cl ZINC001217830523 1094500996 /nfs/dbraw/zinc/50/09/96/1094500996.db2.gz GOMLXEMIEJMRNW-KCJUWKMLSA-N 0 3 305.592 3.056 20 30 DGEDHN CCOC(=O)CCCCCCCCCCO[C@H]1CNC[C@@H]1C#N ZINC001217831627 1094502497 /nfs/dbraw/zinc/50/24/97/1094502497.db2.gz KJGNQZDYRBFFJH-IRXDYDNUSA-N 0 3 324.465 3.189 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OC(Cl)(Cl)c1c(F)cccc1Cl ZINC001217831144 1094502875 /nfs/dbraw/zinc/50/28/75/1094502875.db2.gz JLSBMBWLUFFKSO-OIBJUYFYSA-N 0 3 323.582 3.195 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCC(F)(F)F)C2 ZINC001120890767 1094548634 /nfs/dbraw/zinc/54/86/34/1094548634.db2.gz XZZVJWTWIOQUAA-UHFFFAOYSA-N 0 3 324.774 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1CCO[C@@H]2CN(CC/C=C/CCC)C[C@@H]21 ZINC001218037127 1094572483 /nfs/dbraw/zinc/57/24/83/1094572483.db2.gz IKGQUGLLELFFDB-ZGKJDNBHSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CCC(=O)N1CCO[C@@H]2CN(CC/C=C\CCC)C[C@@H]21 ZINC001218037126 1094572855 /nfs/dbraw/zinc/57/28/55/1094572855.db2.gz IKGQUGLLELFFDB-PLQXZHKYSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001086755437 1094630703 /nfs/dbraw/zinc/63/07/03/1094630703.db2.gz UOLPADXSAXZXSH-GBJTYRQASA-N 0 3 312.885 3.296 20 30 DGEDHN N#Cc1cccc(-c2ccc(O[C@H]3CC[C@@H]4NCCO[C@H]43)cc2)c1 ZINC001218150265 1094634917 /nfs/dbraw/zinc/63/49/17/1094634917.db2.gz CMNQDAVIJLUTGN-SLFFLAALSA-N 0 3 320.392 3.123 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC(C)C)C1 ZINC001103580909 1094672790 /nfs/dbraw/zinc/67/27/90/1094672790.db2.gz SZYDURSMSXGNHH-SQWLQELKSA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001086778351 1094679587 /nfs/dbraw/zinc/67/95/87/1094679587.db2.gz IDBWMAAXUAXVMW-DZGCQCFKSA-N 0 3 310.869 3.194 20 30 DGEDHN N#Cc1cc(Cl)c(O[C@H]2CNCCC2(F)F)c(Cl)c1 ZINC001218448676 1094782029 /nfs/dbraw/zinc/78/20/29/1094782029.db2.gz PLHHPOPZKAWSJT-JTQLQIEISA-N 0 3 307.127 3.241 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC001121882548 1094810615 /nfs/dbraw/zinc/81/06/15/1094810615.db2.gz JCZUQONAVGJIMG-LXZKKBNFSA-N 0 3 304.409 3.214 20 30 DGEDHN N#Cc1ccc2cccc(O[C@@H]3CNCc4ccccc43)c2n1 ZINC001218488758 1094815180 /nfs/dbraw/zinc/81/51/80/1094815180.db2.gz RIEKETASKDCQMV-GOSISDBHSA-N 0 3 301.349 3.330 20 30 DGEDHN N#Cc1ccc2ccc(O[C@H]3CNCc4ccccc43)nc2c1 ZINC001218489957 1094818092 /nfs/dbraw/zinc/81/80/92/1094818092.db2.gz QDJGQHCBYSYYHJ-SFHVURJKSA-N 0 3 301.349 3.330 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC001121900164 1094820366 /nfs/dbraw/zinc/82/03/66/1094820366.db2.gz DATMOVRIIMNFPG-STQMWFEESA-N 0 3 317.458 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1C ZINC001103980651 1094824647 /nfs/dbraw/zinc/82/46/47/1094824647.db2.gz CFNVPBMERLRNQP-SQWLQELKSA-N 0 3 314.901 3.495 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)c1cc2c(s1)CNCC2 ZINC001121925518 1094827295 /nfs/dbraw/zinc/82/72/95/1094827295.db2.gz XBACVXRXVMOILL-UHFFFAOYSA-N 0 3 312.438 3.222 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001121933252 1094831641 /nfs/dbraw/zinc/83/16/41/1094831641.db2.gz KTLFMUNVYXZBPU-DLBZAZTESA-N 0 3 304.409 3.043 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)C)[C@H]2C1 ZINC001218709984 1094854997 /nfs/dbraw/zinc/85/49/97/1094854997.db2.gz ZHNBZYZLRGGXFN-OKZBNKHCSA-N 0 3 324.509 3.161 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001337197402 1094892760 /nfs/dbraw/zinc/89/27/60/1094892760.db2.gz KHSPIQPUBUDNRL-HNNXBMFYSA-N 0 3 301.434 3.080 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NCc1noc2c1CCCC2 ZINC001122117349 1094905098 /nfs/dbraw/zinc/90/50/98/1094905098.db2.gz JNVDRLXJXCBLQL-HNNXBMFYSA-N 0 3 321.465 3.248 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccc(CC#N)n1 ZINC001122131173 1094907894 /nfs/dbraw/zinc/90/78/94/1094907894.db2.gz ZARIQSQNVRSFGE-HNNXBMFYSA-N 0 3 302.422 3.164 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)OCCNC2 ZINC001122135397 1094909141 /nfs/dbraw/zinc/90/91/41/1094909141.db2.gz BLRXPXAHRMSVRB-YOEHRIQHSA-N 0 3 314.429 3.033 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001111520848 1094917140 /nfs/dbraw/zinc/91/71/40/1094917140.db2.gz CCNLBPZCZFURNF-HCXYKTFWSA-N 0 3 312.457 3.478 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CCCC)C1 ZINC001111609279 1094927247 /nfs/dbraw/zinc/92/72/47/1094927247.db2.gz VWEUPNAJUHCTCX-LNLFQRSKSA-N 0 3 304.478 3.197 20 30 DGEDHN CCc1ccc2ccccc2c1CNC(=O)[C@H](N)CCCCC#N ZINC001122269627 1094940300 /nfs/dbraw/zinc/94/03/00/1094940300.db2.gz CNENJANHBHLNDS-LJQANCHMSA-N 0 3 323.440 3.430 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2 ZINC001111650081 1094940695 /nfs/dbraw/zinc/94/06/95/1094940695.db2.gz DNJHEKFLGDCHII-RDJZCZTQSA-N 0 3 304.459 3.185 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001122291282 1094945570 /nfs/dbraw/zinc/94/55/70/1094945570.db2.gz PFHJRPPJPSGACN-KURKYZTESA-N 0 3 313.445 3.240 20 30 DGEDHN N#C[C@H](NC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1)c1ccccc1 ZINC001219557621 1094988338 /nfs/dbraw/zinc/98/83/38/1094988338.db2.gz BTLKFGYDWVTQMY-QYZOEREBSA-N 0 3 319.408 3.251 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001111885698 1094998682 /nfs/dbraw/zinc/99/86/82/1094998682.db2.gz ZNZWDCAQWKLUBI-MPGHIAIKSA-N 0 3 318.486 3.083 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001111892028 1095005780 /nfs/dbraw/zinc/00/57/80/1095005780.db2.gz JVFLFKOKHCYTBU-KPFFTGBYSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001111936542 1095017241 /nfs/dbraw/zinc/01/72/41/1095017241.db2.gz NNYVQLNLFZKIIZ-LNLFQRSKSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001111941128 1095017392 /nfs/dbraw/zinc/01/73/92/1095017392.db2.gz FVUXZQMNJJJJJN-ZWOKBUDYSA-N 0 3 318.505 3.443 20 30 DGEDHN N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1cccc(F)n1 ZINC001122632262 1095022334 /nfs/dbraw/zinc/02/23/34/1095022334.db2.gz TVIDMRRVKXBTQC-CQSZACIVSA-N 0 3 318.311 3.168 20 30 DGEDHN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1cccc(F)n1 ZINC001122632262 1095022349 /nfs/dbraw/zinc/02/23/49/1095022349.db2.gz TVIDMRRVKXBTQC-CQSZACIVSA-N 0 3 318.311 3.168 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCCc1ccc(C)cc1C ZINC001219908112 1095031582 /nfs/dbraw/zinc/03/15/82/1095031582.db2.gz RPIZUUMKGABHGF-SFHVURJKSA-N 0 3 302.462 3.426 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)C(CC)CC)C[C@H]1C(F)(F)F ZINC001112124737 1095035952 /nfs/dbraw/zinc/03/59/52/1095035952.db2.gz VDRXDIQHLGRAAD-IACUBPJLSA-N 0 3 320.399 3.224 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](CC)C(C)C)C[C@H]1C(F)(F)F ZINC001112196685 1095041183 /nfs/dbraw/zinc/04/11/83/1095041183.db2.gz YPPDHSODGSRSRL-BFHYXJOUSA-N 0 3 320.399 3.224 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccccc1F ZINC001123237243 1095197380 /nfs/dbraw/zinc/19/73/80/1095197380.db2.gz YMNHGYOMDWLUTF-ZDUSSCGKSA-N 0 3 315.348 3.078 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccoc2C)CCCCC1 ZINC001115400187 1095205711 /nfs/dbraw/zinc/20/57/11/1095205711.db2.gz VVSQJEUAOCSGNH-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)nc2)CCCCC1 ZINC001115408580 1095208724 /nfs/dbraw/zinc/20/87/24/1095208724.db2.gz ARXLLCWPGSGJGR-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001123336805 1095245648 /nfs/dbraw/zinc/24/56/48/1095245648.db2.gz LBOORFHKOJTZJI-BHYGNILZSA-N 0 3 323.396 3.282 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccccc1F ZINC001123337408 1095245774 /nfs/dbraw/zinc/24/57/74/1095245774.db2.gz PVIUWYSOPRVEMB-LLVKDONJSA-N 0 3 305.740 3.022 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221512504 1095287328 /nfs/dbraw/zinc/28/73/28/1095287328.db2.gz DAQJTJGGXBUGMV-QXAKKESOSA-N 0 3 310.441 3.084 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3C)C[C@H]21 ZINC001221514897 1095290582 /nfs/dbraw/zinc/29/05/82/1095290582.db2.gz OYENLVYYVBPOAT-WOJBJXKFSA-N 0 3 324.468 3.140 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3cc(C)ccc3C)C[C@H]21 ZINC001221515016 1095290821 /nfs/dbraw/zinc/29/08/21/1095290821.db2.gz RRPSVBLPJCJOCH-UYAOXDASSA-N 0 3 324.468 3.140 20 30 DGEDHN CCC/C=C\CCN1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221536154 1095297376 /nfs/dbraw/zinc/29/73/76/1095297376.db2.gz AFBBHDNUXYGJAF-BTFXCVNISA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3ccc(CC)s3)[C@@H]2C1 ZINC001221675393 1095327179 /nfs/dbraw/zinc/32/71/79/1095327179.db2.gz XCPPRKZHJOEERJ-GDBMZVCRSA-N 0 3 318.486 3.423 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](CC)CCCC)[C@@H]2C1 ZINC001221701164 1095329185 /nfs/dbraw/zinc/32/91/85/1095329185.db2.gz GFQZHBZYAJNRFZ-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC001115686525 1095333089 /nfs/dbraw/zinc/33/30/89/1095333089.db2.gz TYGSKTDGAZINBY-FICVDOATSA-N 0 3 310.869 3.194 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221754054 1095344132 /nfs/dbraw/zinc/34/41/32/1095344132.db2.gz XMVPMUUUSBSTFQ-RTBURBONSA-N 0 3 314.473 3.213 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221779926 1095351584 /nfs/dbraw/zinc/35/15/84/1095351584.db2.gz SYBHOTQUULFVAA-RTBURBONSA-N 0 3 312.457 3.384 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]2CN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001222078043 1095424995 /nfs/dbraw/zinc/42/49/95/1095424995.db2.gz IHHZMCNKJVDAFB-BFHYXJOUSA-N 0 3 322.449 3.388 20 30 DGEDHN N#CCOc1cccc(CNCc2cnc(-c3ccccc3)[nH]2)c1 ZINC001116239460 1095491154 /nfs/dbraw/zinc/49/11/54/1095491154.db2.gz OECTVYZBJVNPHR-UHFFFAOYSA-N 0 3 318.380 3.269 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H]2CCN(CCOCCCC)C2)CC1 ZINC001494847274 1095509696 /nfs/dbraw/zinc/50/96/96/1095509696.db2.gz MQAIWWLSMQDXEX-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCC(F)(F)F)C1 ZINC001116541337 1095592667 /nfs/dbraw/zinc/59/26/67/1095592667.db2.gz FJLQYNXOSQYPON-CQSZACIVSA-N 0 3 315.335 3.405 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001222401896 1095596252 /nfs/dbraw/zinc/59/62/52/1095596252.db2.gz MBPPUYCHWQDHJB-AEFFLSMTSA-N 0 3 316.420 3.215 20 30 DGEDHN C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCCN(C)C2)n1CC ZINC001339688923 1095699234 /nfs/dbraw/zinc/69/92/34/1095699234.db2.gz OBXAFPUVZAOZKW-JKSUJKDBSA-N 0 3 317.481 3.042 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3ccc(OC)cn3)CC2)cc1 ZINC001144581417 1095718476 /nfs/dbraw/zinc/71/84/76/1095718476.db2.gz RAZBKDMIKYMZMN-UHFFFAOYSA-N 0 3 322.408 3.115 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1OC ZINC001339907452 1095774755 /nfs/dbraw/zinc/77/47/55/1095774755.db2.gz CHTOQEMOHNDUSG-HOTGVXAUSA-N 0 3 302.418 3.042 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2CCC3(CC3)CC2)CC1 ZINC001160683460 1095776751 /nfs/dbraw/zinc/77/67/51/1095776751.db2.gz RRNXSFYYOQOVSH-UHFFFAOYSA-N 0 3 314.473 3.119 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC001339985046 1095801358 /nfs/dbraw/zinc/80/13/58/1095801358.db2.gz GXMOVSFTDQPRMJ-WBVHZDCISA-N 0 3 318.486 3.311 20 30 DGEDHN N#Cc1ncccc1CO[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223057922 1095848972 /nfs/dbraw/zinc/84/89/72/1095848972.db2.gz HVKQCVGMBFBLDC-SFHVURJKSA-N 0 3 307.397 3.134 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)cccc2C)C1 ZINC001091248079 1095862331 /nfs/dbraw/zinc/86/23/31/1095862331.db2.gz JAPLUEVNRIUGIG-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC001340183703 1095900675 /nfs/dbraw/zinc/90/06/75/1095900675.db2.gz KUZQJTJEFGCLPX-OAHLLOKOSA-N 0 3 305.397 3.048 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001091334357 1095900790 /nfs/dbraw/zinc/90/07/90/1095900790.db2.gz KIXDPHJGEXRZKY-OIBGERBOSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(CCC)CCC)C[C@@H]21 ZINC001223379922 1095955114 /nfs/dbraw/zinc/95/51/14/1095955114.db2.gz ZIIRIPIPXTUDAV-AEFFLSMTSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC001340450350 1095955975 /nfs/dbraw/zinc/95/59/75/1095955975.db2.gz GOTGZNDNWARWEA-AWEZNQCLSA-N 0 3 306.406 3.105 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)CCCCC)C[C@@H]21 ZINC001223622111 1096018163 /nfs/dbraw/zinc/01/81/63/1096018163.db2.gz LVFCYBMKRMXHCT-KURKYZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CC[C@H]1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC001118884591 1096099736 /nfs/dbraw/zinc/09/97/36/1096099736.db2.gz KMTWGVAMCGAEHO-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001276949377 1096142950 /nfs/dbraw/zinc/14/29/50/1096142950.db2.gz MHTXEYWLKKLEJB-GOSISDBHSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001276986263 1096249686 /nfs/dbraw/zinc/24/96/86/1096249686.db2.gz TZBRIOPPGWTMOC-QGZVFWFLSA-N 0 3 314.473 3.429 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001147652392 1096251831 /nfs/dbraw/zinc/25/18/31/1096251831.db2.gz IDODGMDZBYTVHU-UHFFFAOYSA-N 0 3 318.486 3.385 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001224651163 1096256900 /nfs/dbraw/zinc/25/69/00/1096256900.db2.gz JSGDAUAGLVVRST-MRXNPFEDSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)CC2CCCCC2)CC1 ZINC001224739108 1096276423 /nfs/dbraw/zinc/27/64/23/1096276423.db2.gz JCFPIQCUSATMPX-IBGZPJMESA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CC2CCCC2)CC1 ZINC001224739969 1096276685 /nfs/dbraw/zinc/27/66/85/1096276685.db2.gz USOLHVSRBKTWGW-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CC1(CC(=O)NCC2CCN(CC#CC)CC2)CCCCC1 ZINC001224826064 1096293577 /nfs/dbraw/zinc/29/35/77/1096293577.db2.gz WIWZMEZYWBZRFI-UHFFFAOYSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148126297 1096317873 /nfs/dbraw/zinc/31/78/73/1096317873.db2.gz WGAWQZOCWXYZAV-OAHLLOKOSA-N 0 3 318.486 3.385 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCN[C@@H](C(C)C)C1)c1ccccc1 ZINC001148127627 1096318734 /nfs/dbraw/zinc/31/87/34/1096318734.db2.gz BVGRMIAPXQQRQN-ZWKOTPCHSA-N 0 3 300.446 3.193 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CC[C@H](C)c3ccccc3)C2)C1 ZINC001148390707 1096357381 /nfs/dbraw/zinc/35/73/81/1096357381.db2.gz JFEKVDDRAZPKMY-SFHVURJKSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1CC ZINC001225308200 1096391722 /nfs/dbraw/zinc/39/17/22/1096391722.db2.gz VROQRHFKBZFYQT-HZPDHXFCSA-N 0 3 319.449 3.029 20 30 DGEDHN CN(C)C1(C)CN(C(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148906066 1096464253 /nfs/dbraw/zinc/46/42/53/1096464253.db2.gz CRXCVAZGDQWVNX-UHFFFAOYSA-N 0 3 313.445 3.044 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3=CCCCC3)C2)CC1 ZINC001086910012 1096504414 /nfs/dbraw/zinc/50/44/14/1096504414.db2.gz JXRCRWLBWGOQIG-QGZVFWFLSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC=CCC3)C2)CC1 ZINC001086937108 1096513458 /nfs/dbraw/zinc/51/34/58/1096513458.db2.gz GUXVCPKCGKBZEO-QZTJIDSGSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC3(C)C)C2)CC1 ZINC001086937528 1096514608 /nfs/dbraw/zinc/51/46/08/1096514608.db2.gz RIYVXGZKXZKKMQ-SJORKVTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1 ZINC001086932305 1096519678 /nfs/dbraw/zinc/51/96/78/1096519678.db2.gz GXSAKHRISFXIMH-GVDBMIGSSA-N 0 3 316.489 3.005 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC001086954403 1096521835 /nfs/dbraw/zinc/52/18/35/1096521835.db2.gz KNWIIQWSNZABQI-GOSISDBHSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3cccc(C)c3s2)CC1 ZINC001277093845 1096593799 /nfs/dbraw/zinc/59/37/99/1096593799.db2.gz BQIIWIFVQNJKIF-UHFFFAOYSA-N 0 3 312.438 3.085 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CC3CCC(C)(C)CC3)C[C@]2(C)C1 ZINC001092328964 1096603768 /nfs/dbraw/zinc/60/37/68/1096603768.db2.gz USUDICWOKSGUSU-XLIONFOSSA-N 0 3 316.489 3.006 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1c(O)cccc1C#N ZINC001226521303 1096712489 /nfs/dbraw/zinc/71/24/89/1096712489.db2.gz DKPYDCXYPLPDAB-KSSFIOAISA-N 0 3 308.381 3.163 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC001226534439 1096716387 /nfs/dbraw/zinc/71/63/87/1096716387.db2.gz JKWWZHFIIMOMRP-UHFFFAOYSA-N 0 3 316.445 3.050 20 30 DGEDHN N#Cc1ccc(CNC2(CNC(=O)C[C@H]3CC=CCC3)CC2)cc1 ZINC001277142302 1096736810 /nfs/dbraw/zinc/73/68/10/1096736810.db2.gz XJPWWKGZVBUNQA-INIZCTEOSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)CC(F)F ZINC001226731405 1096762636 /nfs/dbraw/zinc/76/26/36/1096762636.db2.gz YBOVSHSPUXYNLR-VXGBXAGGSA-N 0 3 322.827 3.437 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@H]2C(C)C)CC1 ZINC001226833728 1096789982 /nfs/dbraw/zinc/78/99/82/1096789982.db2.gz HHBAGLUKXRBWCT-KRWDZBQOSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCCCCCCN1CC[C@H]2C[C@]21C(=O)N1CCCCO1 ZINC001277159925 1096794657 /nfs/dbraw/zinc/79/46/57/1096794657.db2.gz PYCFHPALLINSDV-FUHWJXTLSA-N 0 3 306.450 3.141 20 30 DGEDHN C=CCCCCCCCN1CC2(C[C@@H]2C(=O)N2CCCCO2)C1 ZINC001277170003 1096830363 /nfs/dbraw/zinc/83/03/63/1096830363.db2.gz KGVKXIQFVXPBMM-QGZVFWFLSA-N 0 3 320.477 3.389 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(C(C)C)cc3)CCC[C@@H]12 ZINC001094565215 1096854153 /nfs/dbraw/zinc/85/41/53/1096854153.db2.gz QGWDJWOULXHORS-TZIWHRDSSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3coc4ccccc34)CCC[C@@H]12 ZINC001094589519 1096863123 /nfs/dbraw/zinc/86/31/23/1096863123.db2.gz FRZRKSFGDHMUDI-UYAOXDASSA-N 0 3 322.408 3.040 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@@H]2C(=O)Nc2nnco2)C1 ZINC001277230667 1096967465 /nfs/dbraw/zinc/96/74/65/1096967465.db2.gz ARLGTDLODZOVMW-CQSZACIVSA-N 0 3 320.437 3.081 20 30 DGEDHN CCCCCCCCN1CC[C@H]2C[C@]21C(=O)N1CCCCO1 ZINC001277231223 1096968454 /nfs/dbraw/zinc/96/84/54/1096968454.db2.gz JTBQMPZBTCXKTM-FUHWJXTLSA-N 0 3 308.466 3.365 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1ccn(CC)n1 ZINC001171818361 1096973958 /nfs/dbraw/zinc/97/39/58/1096973958.db2.gz ININBEVGMGKARX-UHFFFAOYSA-N 0 3 322.497 3.250 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1ocnc1C ZINC001171818249 1096974036 /nfs/dbraw/zinc/97/40/36/1096974036.db2.gz CRZKINBLVUOUTM-UHFFFAOYSA-N 0 3 309.454 3.330 20 30 DGEDHN N#Cc1cc(O[C@H]2CCN(Cc3ccccc3)C2)cnc1Cl ZINC001227743660 1096980489 /nfs/dbraw/zinc/98/04/89/1096980489.db2.gz AEPMRZPGUXYMEZ-HNNXBMFYSA-N 0 3 313.788 3.260 20 30 DGEDHN C=CCCCCN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001171954727 1097003196 /nfs/dbraw/zinc/00/31/96/1097003196.db2.gz OVYRZYCSTKTPEC-KRWDZBQOSA-N 0 3 322.474 3.249 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001227917164 1097012294 /nfs/dbraw/zinc/01/22/94/1097012294.db2.gz NUZCUPCMLRYUAF-HZPDHXFCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001227967245 1097021573 /nfs/dbraw/zinc/02/15/73/1097021573.db2.gz GYUWGCMQSDRBAX-RTBURBONSA-N 0 3 324.468 3.267 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H]1CCc2ccccc2C1=O ZINC001172305440 1097095487 /nfs/dbraw/zinc/09/54/87/1097095487.db2.gz SGKNNWJHKJVIPW-LIRRHRJNSA-N 0 3 304.393 3.277 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CCN(CC#CC)C1 ZINC001277286173 1097099947 /nfs/dbraw/zinc/09/99/47/1097099947.db2.gz VZMSBYHCPPAFPW-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001277297983 1097116734 /nfs/dbraw/zinc/11/67/34/1097116734.db2.gz AVXBMPVCFOSGLZ-CHWSQXEVSA-N 0 3 314.882 3.479 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN([C@H](CC)CC(C)C)CC2 ZINC001172403899 1097129754 /nfs/dbraw/zinc/12/97/54/1097129754.db2.gz WMAJFMCGDOCNTK-OAHLLOKOSA-N 0 3 305.466 3.306 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)c1ccc(C)o1 ZINC001277315317 1097147619 /nfs/dbraw/zinc/14/76/19/1097147619.db2.gz UOHNVNQCPSLITK-TZMCWYRMSA-N 0 3 312.841 3.319 20 30 DGEDHN C[C@@H](CCCC#N)N1CCN(c2nccc3ccccc32)CC1 ZINC001172507684 1097174180 /nfs/dbraw/zinc/17/41/80/1097174180.db2.gz YKRFGOHUICDWGG-INIZCTEOSA-N 0 3 308.429 3.439 20 30 DGEDHN CCOc1ccc(N2CCN([C@@H](C)CCCC#N)CC2)cc1 ZINC001172509000 1097174368 /nfs/dbraw/zinc/17/43/68/1097174368.db2.gz IZCAFMUCDPNUSH-INIZCTEOSA-N 0 3 301.434 3.290 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228801583 1097193812 /nfs/dbraw/zinc/19/38/12/1097193812.db2.gz SWMVHGRBRIFSHZ-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001277332868 1097197689 /nfs/dbraw/zinc/19/76/89/1097197689.db2.gz QJXCGESJKPSWOL-KSZLIROESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001203341488 1097241191 /nfs/dbraw/zinc/24/11/91/1097241191.db2.gz RJIVUOCWUXALOD-GJZGRUSLSA-N 0 3 319.474 3.016 20 30 DGEDHN C=CCCC1(C(=O)NC2CCN(CCOCCCC)CC2)CC1 ZINC001229048780 1097244861 /nfs/dbraw/zinc/24/48/61/1097244861.db2.gz LYUZDDXSVMPJQQ-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1ccco1 ZINC001229083503 1097252492 /nfs/dbraw/zinc/25/24/92/1097252492.db2.gz DHRDGFNTAKGGGR-DAXOMENPSA-N 0 3 324.852 3.228 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(C)nsc1C ZINC001277363039 1097273123 /nfs/dbraw/zinc/27/31/23/1097273123.db2.gz QHUFZIINAUFHGL-JTQLQIEISA-N 0 3 315.870 3.001 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)CC#Cc1ccccc1 ZINC001277363011 1097272891 /nfs/dbraw/zinc/27/28/91/1097272891.db2.gz PZSYOIDSDLDIBP-MRXNPFEDSA-N 0 3 318.848 3.055 20 30 DGEDHN CN1CC[C@H](Oc2ccccc2/C=N/N=C/c2ccccc2)C1 ZINC001229288459 1097290392 /nfs/dbraw/zinc/29/03/92/1097290392.db2.gz SFMNNRLOLUBCAL-VMPRHPDYSA-N 0 3 307.397 3.223 20 30 DGEDHN C[C@@H]1CC[C@H](N2CCC[C@@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001173063277 1097316016 /nfs/dbraw/zinc/31/60/16/1097316016.db2.gz AIIKGLAHKDQKMA-PMPSAXMXSA-N 0 3 321.465 3.400 20 30 DGEDHN CC1CC(C(=O)N2CCC(N(C)CC#Cc3ccccc3)CC2)C1 ZINC001277392406 1097330729 /nfs/dbraw/zinc/33/07/29/1097330729.db2.gz ZVZLRCKAQPWJEP-UHFFFAOYSA-N 0 3 324.468 3.007 20 30 DGEDHN C/C(=N\[O-])c1ccccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001229736428 1097374330 /nfs/dbraw/zinc/37/43/30/1097374330.db2.gz BYJIEFPYRDACBQ-XSFVSMFZSA-N 0 3 311.385 3.328 20 30 DGEDHN C#C[C@@H](CC)Oc1cccc(C2(C(=O)CC)CCN(C)CC2)c1 ZINC001229735290 1097374403 /nfs/dbraw/zinc/37/44/03/1097374403.db2.gz FVLDLYXHICXFRQ-KRWDZBQOSA-N 0 3 313.441 3.420 20 30 DGEDHN C=CCOC1CCC(N2CC[C@@H](C)C[C@@H]2C(=O)OCC)CC1 ZINC001173326722 1097418281 /nfs/dbraw/zinc/41/82/81/1097418281.db2.gz OHKLVQVOLRKBPY-RDHHWEPZSA-N 0 3 309.450 3.164 20 30 DGEDHN Cc1cnc(N2CCN(C3CCC(CC#N)CC3)CC2)s1 ZINC001173339767 1097421597 /nfs/dbraw/zinc/42/15/97/1097421597.db2.gz SWYMSIBEAYBHHV-UHFFFAOYSA-N 0 3 304.463 3.046 20 30 DGEDHN C=CCOC1CCC(NC2(c3ccccc3C)COC2)CC1 ZINC001173317296 1097428582 /nfs/dbraw/zinc/42/85/82/1097428582.db2.gz UNHPFJUCFMHDHT-UHFFFAOYSA-N 0 3 301.430 3.324 20 30 DGEDHN CC[C@@H](CC#N)NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173676839 1097488403 /nfs/dbraw/zinc/48/84/03/1097488403.db2.gz FXMPRQIRSRJURS-MCIONIFRSA-N 0 3 309.454 3.445 20 30 DGEDHN Cc1cc(C#N)ccc1O[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001230683463 1097556712 /nfs/dbraw/zinc/55/67/12/1097556712.db2.gz BJTYUWLEKRWKPA-NVXWUHKLSA-N 0 3 307.397 3.476 20 30 DGEDHN C=C(C)CN(CCCNC(=O)/C(C)=C\CC)Cc1cccnc1 ZINC001230699779 1097558812 /nfs/dbraw/zinc/55/88/12/1097558812.db2.gz KTBJITYLCJUBLD-IUXPMGMMSA-N 0 3 315.461 3.322 20 30 DGEDHN C=C(C)CCC(=O)NCCCN(CCCF)Cc1cccnc1 ZINC001230772154 1097580098 /nfs/dbraw/zinc/58/00/98/1097580098.db2.gz YTODSOPZMPAISW-UHFFFAOYSA-N 0 3 321.440 3.106 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCCO1 ZINC001230838703 1097603544 /nfs/dbraw/zinc/60/35/44/1097603544.db2.gz RBEUILSPXAOVFS-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCCOCC ZINC001230860634 1097608939 /nfs/dbraw/zinc/60/89/39/1097608939.db2.gz OXMLETVAEOXNJE-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)CCCC1 ZINC001230929459 1097624228 /nfs/dbraw/zinc/62/42/28/1097624228.db2.gz ZJPOQTURQTXNJX-IAGOWNOFSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)CCCC1 ZINC001230929460 1097624610 /nfs/dbraw/zinc/62/46/10/1097624610.db2.gz ZJPOQTURQTXNJX-IRXDYDNUSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001231027246 1097649344 /nfs/dbraw/zinc/64/93/44/1097649344.db2.gz XLKFFRYJFHXRDU-IRXDYDNUSA-N 0 3 310.482 3.081 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001231024217 1097649925 /nfs/dbraw/zinc/64/99/25/1097649925.db2.gz CAGSSBKBJOFKPY-DLBZAZTESA-N 0 3 312.498 3.305 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001231062712 1097659333 /nfs/dbraw/zinc/65/93/33/1097659333.db2.gz SCCLKGKKPXWMNV-IAGOWNOFSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCc1ccc(C)cc1 ZINC001231169528 1097687358 /nfs/dbraw/zinc/68/73/58/1097687358.db2.gz IPJOJNNTMHRLSG-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001231247678 1097702653 /nfs/dbraw/zinc/70/26/53/1097702653.db2.gz QMEOFSZKXPHAKD-MRXNPFEDSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccncc1F ZINC001231350291 1097727903 /nfs/dbraw/zinc/72/79/03/1097727903.db2.gz QXFHSLMKQJJPSQ-OAHLLOKOSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)COCCCC ZINC001231368290 1097732473 /nfs/dbraw/zinc/73/24/73/1097732473.db2.gz KFQAYXLEMOURRH-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001277531250 1097778287 /nfs/dbraw/zinc/77/82/87/1097778287.db2.gz OGWHNODIPJXESG-CRAIPNDOSA-N 0 3 310.457 3.261 20 30 DGEDHN OCC1CCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231576667 1097782052 /nfs/dbraw/zinc/78/20/52/1097782052.db2.gz DZDCORVXWPCVNJ-UHFFFAOYSA-N 0 3 305.421 3.291 20 30 DGEDHN O[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1F ZINC001231577148 1097783048 /nfs/dbraw/zinc/78/30/48/1097783048.db2.gz POZZFTWSYHSOMX-LEWJYISDSA-N 0 3 323.411 3.381 20 30 DGEDHN Cc1cc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)ccn1 ZINC001174653475 1097804450 /nfs/dbraw/zinc/80/44/50/1097804450.db2.gz PZTLZGAHFBAQAK-UHFFFAOYSA-N 0 3 309.760 3.266 20 30 DGEDHN C#Cc1cccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001231663678 1097807782 /nfs/dbraw/zinc/80/77/82/1097807782.db2.gz PAYFLUAYLYNKOU-OALUTQOASA-N 0 3 300.421 3.066 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)CC(C)C)C2 ZINC001110176485 1097903564 /nfs/dbraw/zinc/90/35/64/1097903564.db2.gz XSDSZQCDTFZWSB-BDXSIMOUSA-N 0 3 304.478 3.194 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)CCCC2 ZINC001175307457 1098007136 /nfs/dbraw/zinc/00/71/36/1098007136.db2.gz LYCNAMNNBRJJCI-UHFFFAOYSA-N 0 3 306.837 3.027 20 30 DGEDHN N#Cc1cc(N)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506513 1098077405 /nfs/dbraw/zinc/07/74/05/1098077405.db2.gz DBBOIHYKPGSNOY-UHFFFAOYSA-N 0 3 304.397 3.342 20 30 DGEDHN N#Cc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1O ZINC001175507029 1098077812 /nfs/dbraw/zinc/07/78/12/1098077812.db2.gz TVKHMAFFMGCSIY-UHFFFAOYSA-N 0 3 305.381 3.466 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2csc(CC)n2)C[C@H]1C ZINC001277720666 1098145695 /nfs/dbraw/zinc/14/56/95/1098145695.db2.gz BEJLEJZTZBPZFH-ZIAGYGMSSA-N 0 3 321.490 3.141 20 30 DGEDHN CC[NH+]1CCN(c2ccc(Nc3cc(C#N)ccc3[O-])cc2)CC1 ZINC001175782025 1098168675 /nfs/dbraw/zinc/16/86/75/1098168675.db2.gz PFWRDBMQWQNWDJ-UHFFFAOYSA-N 0 3 322.412 3.149 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccccc3C#N)cc2)CC1 ZINC001175780336 1098169205 /nfs/dbraw/zinc/16/92/05/1098169205.db2.gz DCCXWLJDUVUQMY-UHFFFAOYSA-N 0 3 306.413 3.444 20 30 DGEDHN C[C@H]1CN(Cc2cccc(C#N)n2)CC[C@@]1(C)c1cccc(O)c1 ZINC001232925759 1098174979 /nfs/dbraw/zinc/17/49/79/1098174979.db2.gz NFMAQHKXQSEBMS-MGPUTAFESA-N 0 3 321.424 3.459 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cnc(C)o2)C[C@@H]1C ZINC001277739504 1098181945 /nfs/dbraw/zinc/18/19/45/1098181945.db2.gz ICMJKLRZUFUEOV-DZGCQCFKSA-N 0 3 319.449 3.054 20 30 DGEDHN CCc1noc([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC001233082732 1098222499 /nfs/dbraw/zinc/22/24/99/1098222499.db2.gz VWHNYEBCVNXESA-INIZCTEOSA-N 0 3 310.401 3.192 20 30 DGEDHN CCc1nc(C2CCN(Cc3ccc(C#N)cc3C)CC2)no1 ZINC001233082720 1098222643 /nfs/dbraw/zinc/22/26/43/1098222643.db2.gz VHCGSNXUUQTJBI-UHFFFAOYSA-N 0 3 310.401 3.192 20 30 DGEDHN CCOC(=O)C1(C)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233082804 1098222862 /nfs/dbraw/zinc/22/28/62/1098222862.db2.gz IFOSAFOEVPQJHL-UHFFFAOYSA-N 0 3 300.402 3.032 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001233083706 1098223839 /nfs/dbraw/zinc/22/38/39/1098223839.db2.gz XVCZKVPCDMWSOS-MRXNPFEDSA-N 0 3 314.429 3.420 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001233602175 1098386808 /nfs/dbraw/zinc/38/68/08/1098386808.db2.gz ZLYXVJUPVNPQIS-QGZVFWFLSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CO[C@H](C)CC ZINC001233731571 1098419166 /nfs/dbraw/zinc/41/91/66/1098419166.db2.gz NRYNHCXXMMXPID-IAGOWNOFSA-N 0 3 310.482 3.081 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)COC(C)(C)C ZINC001233779629 1098430065 /nfs/dbraw/zinc/43/00/65/1098430065.db2.gz GFCVDEPVRRVLDF-INIZCTEOSA-N 0 3 312.498 3.305 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@H](C)OC ZINC001233809305 1098436070 /nfs/dbraw/zinc/43/60/70/1098436070.db2.gz IELQMIKACMLXAQ-DLBZAZTESA-N 0 3 312.498 3.305 20 30 DGEDHN N#Cc1ccnc(CN2CCCC[C@H]2Cc2ccc(O)cc2)c1 ZINC001176879811 1098446748 /nfs/dbraw/zinc/44/67/48/1098446748.db2.gz PFXBPBGDKFFPID-SFHVURJKSA-N 0 3 307.397 3.256 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233916218 1098456287 /nfs/dbraw/zinc/45/62/87/1098456287.db2.gz UWMRHDQDCDGKHD-OLZOCXBDSA-N 0 3 310.825 3.434 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c[nH]c2c1cccc2CC ZINC001176974786 1098458664 /nfs/dbraw/zinc/45/86/64/1098458664.db2.gz ASLYDCXIBGRMOW-UHFFFAOYSA-N 0 3 319.836 3.192 20 30 DGEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(OCC#N)cc2)CCO1 ZINC001176991617 1098461025 /nfs/dbraw/zinc/46/10/25/1098461025.db2.gz SPXGGIWOROBXHO-QGZVFWFLSA-N 0 3 302.418 3.226 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)C(C)(F)F ZINC001177182668 1098493870 /nfs/dbraw/zinc/49/38/70/1098493870.db2.gz ALJQXSKKAOLDAO-UHFFFAOYSA-N 0 3 322.827 3.393 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001234058268 1098487284 /nfs/dbraw/zinc/48/72/84/1098487284.db2.gz HKMSMFNORZJBEU-OLZOCXBDSA-N 0 3 310.438 3.388 20 30 DGEDHN CCCCCCC[N@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234116325 1098497800 /nfs/dbraw/zinc/49/78/00/1098497800.db2.gz VMIUJEMBQBKLDF-UHFFFAOYSA-N 0 3 306.450 3.414 20 30 DGEDHN CCCCCCC[N@@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234116325 1098497804 /nfs/dbraw/zinc/49/78/04/1098497804.db2.gz VMIUJEMBQBKLDF-UHFFFAOYSA-N 0 3 306.450 3.414 20 30 DGEDHN CC1=CC(=O)C[C@@H](c2ccc(O[C@H]3CN4CCC3CC4)cc2)O1 ZINC001234159107 1098506539 /nfs/dbraw/zinc/50/65/39/1098506539.db2.gz LUHNNKYTRXSLAQ-OALUTQOASA-N 0 3 313.397 3.094 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCC1CCCCC1 ZINC001234159906 1098507548 /nfs/dbraw/zinc/50/75/48/1098507548.db2.gz CSDRYPDWWKZWQN-SFHVURJKSA-N 0 3 304.478 3.149 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179574 1098510353 /nfs/dbraw/zinc/51/03/53/1098510353.db2.gz WYJPWOOSQYEUEU-AEFFLSMTSA-N 0 3 310.441 3.002 20 30 DGEDHN CN(C[C@H]1CCN1CCCC(C)(C)C)C(=O)C#CC(C)(C)C ZINC001234216535 1098516278 /nfs/dbraw/zinc/51/62/78/1098516278.db2.gz YVPJLNLBMGMMIS-MRXNPFEDSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234246639 1098520993 /nfs/dbraw/zinc/52/09/93/1098520993.db2.gz RUPYKCMZXAAJJR-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234378749 1098545587 /nfs/dbraw/zinc/54/55/87/1098545587.db2.gz VSIUETWVPDGFIL-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)=CC(=O)NCCCCCCNCc1ccccc1C#N ZINC001177824141 1098607100 /nfs/dbraw/zinc/60/71/00/1098607100.db2.gz FZLQLKWOKOSTCZ-UHFFFAOYSA-N 0 3 313.445 3.291 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001234624918 1098623025 /nfs/dbraw/zinc/62/30/25/1098623025.db2.gz IAAWPEJIPXDQTQ-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC)OCC ZINC001234644993 1098629564 /nfs/dbraw/zinc/62/95/64/1098629564.db2.gz XUKNZDXEXVJQEH-XDIYQJDNSA-N 0 3 322.493 3.247 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(C2CC2)cs1 ZINC001177903654 1098643932 /nfs/dbraw/zinc/64/39/32/1098643932.db2.gz DKTVLXCZDKTLFP-JTQLQIEISA-N 0 3 303.412 3.403 20 30 DGEDHN CCCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178115791 1098709368 /nfs/dbraw/zinc/70/93/68/1098709368.db2.gz ASJRQLRWZQJSGF-BBRMVZONSA-N 0 3 319.474 3.279 20 30 DGEDHN C=CCN1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234995835 1098737821 /nfs/dbraw/zinc/73/78/21/1098737821.db2.gz PVVLBEHDOMTUPU-UHFFFAOYSA-N 0 3 308.425 3.363 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001178482792 1098848296 /nfs/dbraw/zinc/84/82/96/1098848296.db2.gz LKRRVFPRMDUCAA-KRWDZBQOSA-N 0 3 319.408 3.070 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCCCCNCc1cc(C)no1 ZINC001178580241 1098865404 /nfs/dbraw/zinc/86/54/04/1098865404.db2.gz RVRXHDCWHAFEKR-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC/C=C\CCC)CCC1 ZINC001235209126 1098880293 /nfs/dbraw/zinc/88/02/93/1098880293.db2.gz JLRREFWZEUDWDM-JTHGQSKGSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC(C)C)CCC1 ZINC001235211007 1098882205 /nfs/dbraw/zinc/88/22/05/1098882205.db2.gz ZEZBOXCCWKEDRK-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN O=C1C=C2CN(Cc3cc4cccc(F)c4[nH]3)CCC2S1 ZINC001235236722 1098909792 /nfs/dbraw/zinc/90/97/92/1098909792.db2.gz GMTSHIGRWPWSMQ-CQSZACIVSA-N 0 3 302.374 3.081 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)/C=C/c1cc2ccccc2o1 ZINC001178760092 1098926695 /nfs/dbraw/zinc/92/66/95/1098926695.db2.gz SBICBCBJJJBBHI-SCOAYWHSSA-N 0 3 310.397 3.213 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178795584 1098933986 /nfs/dbraw/zinc/93/39/86/1098933986.db2.gz VRCOGHCKDGTTSO-RYUDHWBXSA-N 0 3 319.276 3.487 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001235453670 1099045164 /nfs/dbraw/zinc/04/51/64/1099045164.db2.gz FBBJDBOSQNRDFA-SFHVURJKSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCCCCNCc1nccs1 ZINC001179306706 1099059274 /nfs/dbraw/zinc/05/92/74/1099059274.db2.gz KKIBPEMWRDLSFW-HUUCEWRRSA-N 0 3 323.506 3.368 20 30 DGEDHN N#CCc1ccccc1CN1CCCC[C@](O)(C(F)(F)F)C1 ZINC001235512931 1099068429 /nfs/dbraw/zinc/06/84/29/1099068429.db2.gz XZPXKZBXNARHAS-OAHLLOKOSA-N 0 3 312.335 3.032 20 30 DGEDHN Cc1cccc(O[C@H]2CCN(Cc3ccccc3CC#N)C2)n1 ZINC001235529343 1099077283 /nfs/dbraw/zinc/07/72/83/1099077283.db2.gz YVOINVPMRHNDFP-SFHVURJKSA-N 0 3 307.397 3.109 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001235551548 1099087536 /nfs/dbraw/zinc/08/75/36/1099087536.db2.gz UVIVVSCSDFFOST-CSHXORCISA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCc1ccsc1 ZINC001235634873 1099104510 /nfs/dbraw/zinc/10/45/10/1099104510.db2.gz UTZQLHUREYCINM-MRXNPFEDSA-N 0 3 306.475 3.180 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)cc1 ZINC001235934909 1099271274 /nfs/dbraw/zinc/27/12/74/1099271274.db2.gz BJXVHMQORHFRMB-WOJBJXKFSA-N 0 3 323.415 3.260 20 30 DGEDHN Cc1nc(C#N)cc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236004430 1099326077 /nfs/dbraw/zinc/32/60/77/1099326077.db2.gz IBUNABOAMWCKOV-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C#CCN(CC)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001180281115 1099371046 /nfs/dbraw/zinc/37/10/46/1099371046.db2.gz VVSVUGRXSSAZPO-UHFFFAOYSA-N 0 3 302.418 3.166 20 30 DGEDHN C#CCCCN1CCCC[C@@]12CC(=O)N(CC1CCCC1)C2 ZINC001273542205 1099537599 /nfs/dbraw/zinc/53/75/99/1099537599.db2.gz HVTDKVRHEZFUSS-IBGZPJMESA-N 0 3 302.462 3.047 20 30 DGEDHN C#CCCCN1CCCC[C@]12CC(=O)N(CC1CCCC1)C2 ZINC001273542206 1099538027 /nfs/dbraw/zinc/53/80/27/1099538027.db2.gz HVTDKVRHEZFUSS-LJQANCHMSA-N 0 3 302.462 3.047 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC001187530366 1099538455 /nfs/dbraw/zinc/53/84/55/1099538455.db2.gz OHKLQZSRTZVIRH-HXUWFJFHSA-N 0 3 318.420 3.181 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001187729640 1099590061 /nfs/dbraw/zinc/59/00/61/1099590061.db2.gz PXWZRGNNJWQOKR-RHYMJRRZSA-N 0 3 322.452 3.036 20 30 DGEDHN N#Cc1cc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ncn1 ZINC001236471692 1099631925 /nfs/dbraw/zinc/63/19/25/1099631925.db2.gz IMBTUEGXOKSRAA-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN CCCCCCCCS(=O)(=O)NCCCN1CCCCC1 ZINC001188020420 1099667048 /nfs/dbraw/zinc/66/70/48/1099667048.db2.gz WQJCAYVMTYSVQD-UHFFFAOYSA-N 0 3 318.527 3.142 20 30 DGEDHN N#Cc1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c(F)c1 ZINC001236531973 1099667646 /nfs/dbraw/zinc/66/76/46/1099667646.db2.gz SGRYGCCFBHCLFP-IBGZPJMESA-N 0 3 321.355 3.278 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001188080874 1099680304 /nfs/dbraw/zinc/68/03/04/1099680304.db2.gz NZEOOELOJMTEQN-DLBZAZTESA-N 0 3 318.486 3.446 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cc(C)cc(F)c3)CC2)C1=O ZINC001273556776 1099716168 /nfs/dbraw/zinc/71/61/68/1099716168.db2.gz KJBSIPFURRLIFI-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CC(C1CCC1)C1CCC1 ZINC001273560713 1099758989 /nfs/dbraw/zinc/75/89/89/1099758989.db2.gz QRFQCEVMMBZYGJ-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN SC1CCN(Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001236899919 1099862319 /nfs/dbraw/zinc/86/23/19/1099862319.db2.gz CWXCDPGLUWQGKJ-UHFFFAOYSA-N 0 3 307.850 3.420 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001189743449 1100120805 /nfs/dbraw/zinc/12/08/05/1100120805.db2.gz DRDXAWNUNNYHDX-KRWDZBQOSA-N 0 3 318.486 3.283 20 30 DGEDHN COc1cccc([C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)c1 ZINC001237463242 1100131810 /nfs/dbraw/zinc/13/18/10/1100131810.db2.gz OOZFSWMTVZXYQS-QGZVFWFLSA-N 0 3 307.397 3.341 20 30 DGEDHN Cn1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237464203 1100132018 /nfs/dbraw/zinc/13/20/18/1100132018.db2.gz CWKMDTKKEAWLRT-BEFAXECRSA-N 0 3 309.413 3.051 20 30 DGEDHN Cn1cc(CN2CCC3(C[C@H]3CCO)CC2)c2cc(C#N)ccc21 ZINC001237469876 1100135335 /nfs/dbraw/zinc/13/53/35/1100135335.db2.gz ZJHRHLOMDZVOST-QGZVFWFLSA-N 0 3 323.440 3.034 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001189910843 1100148615 /nfs/dbraw/zinc/14/86/15/1100148615.db2.gz ULJPJEURCHRZDC-KRWDZBQOSA-N 0 3 318.848 3.176 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001237501612 1100149556 /nfs/dbraw/zinc/14/95/56/1100149556.db2.gz SGSSWYUIHPVTFF-GFCCVEGCSA-N 0 3 300.789 3.439 20 30 DGEDHN CC[C@H](C)CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189894725 1100156168 /nfs/dbraw/zinc/15/61/68/1100156168.db2.gz YVKILQZYLMXDGT-YJBOKZPZSA-N 0 3 313.445 3.027 20 30 DGEDHN Cc1cc(CN(C)[C@H]2CCN(C(=O)C#CC(C)C)C2)c(C)s1 ZINC001190004569 1100185320 /nfs/dbraw/zinc/18/53/20/1100185320.db2.gz QAZMSYBJGLQJQW-KRWDZBQOSA-N 0 3 318.486 3.057 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCc2ccccc2F)C1 ZINC001190429145 1100272383 /nfs/dbraw/zinc/27/23/83/1100272383.db2.gz VEVNQOJVULGQSK-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN CCCCC[C@H](CC)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001151889924 1100330259 /nfs/dbraw/zinc/33/02/59/1100330259.db2.gz ICYHGCGSHGMHTF-SFHVURJKSA-N 0 3 315.461 3.371 20 30 DGEDHN C#CCNC[C@@H](NC(=O)/C(C)=C\C)c1ccc2ccccc2c1 ZINC001278207123 1100402809 /nfs/dbraw/zinc/40/28/09/1100402809.db2.gz PIWOBULJAJVJQL-WFNYAPQQSA-N 0 3 306.409 3.186 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC001191129222 1100407187 /nfs/dbraw/zinc/40/71/87/1100407187.db2.gz TZJVDGBRVLYCII-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001278263598 1100497354 /nfs/dbraw/zinc/49/73/54/1100497354.db2.gz KSLBNONNLVJQQI-CJNGLKHVSA-N 0 3 317.458 3.055 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001191792266 1100523439 /nfs/dbraw/zinc/52/34/39/1100523439.db2.gz YVBDVPWKRIEIRA-MCBDIONPSA-N 0 3 323.440 3.113 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001192170423 1100581172 /nfs/dbraw/zinc/58/11/72/1100581172.db2.gz LKWKSIJCVJVRBI-PKOBYXMFSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001192323617 1100604057 /nfs/dbraw/zinc/60/40/57/1100604057.db2.gz CNUOFKZBEUOWIK-RDJZCZTQSA-N 0 3 318.436 3.113 20 30 DGEDHN Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001239479339 1100675890 /nfs/dbraw/zinc/67/58/90/1100675890.db2.gz ZHNMVKXZGLYUMB-AWEZNQCLSA-N 0 3 309.369 3.401 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCc1cccs1 ZINC001281967223 1100681818 /nfs/dbraw/zinc/68/18/18/1100681818.db2.gz CTERENGBGWMCPS-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192989502 1100684863 /nfs/dbraw/zinc/68/48/63/1100684863.db2.gz XFBQNWXJCTVEGB-MSOLQXFVSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CCC)c2ccccc2)C1 ZINC001193877574 1100821813 /nfs/dbraw/zinc/82/18/13/1100821813.db2.gz HCGCVDOVPVXBRR-ZWKOTPCHSA-N 0 3 300.446 3.289 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@]23CCN(CC=C(C)C)C3=O)cc1 ZINC001273671353 1100878443 /nfs/dbraw/zinc/87/84/43/1100878443.db2.gz CSVWHKYZBKJLFX-OAQYLSRUSA-N 0 3 322.452 3.201 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194182633 1100884967 /nfs/dbraw/zinc/88/49/67/1100884967.db2.gz BYVPOBXTCBUDTN-MSOLQXFVSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C[C@H](C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1)c1ccccc1 ZINC001194183489 1100886610 /nfs/dbraw/zinc/88/66/10/1100886610.db2.gz QDAGZVNXFYMYEI-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CCN(CC(=C)C)C3=O)CC2)cc1 ZINC001273673744 1100899630 /nfs/dbraw/zinc/89/96/30/1100899630.db2.gz CWTVKJYUGQOBOU-UHFFFAOYSA-N 0 3 322.452 3.059 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cc(F)cc(CC#N)c3)c2)CC1 ZINC001240306433 1100934510 /nfs/dbraw/zinc/93/45/10/1100934510.db2.gz XTLURKDXRHOVPE-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CCCCCCCCOC(=O)NC1CCN(CCOC)CC1 ZINC001194753104 1100996138 /nfs/dbraw/zinc/99/61/38/1100996138.db2.gz BQCCMYMKKQUCGE-UHFFFAOYSA-N 0 3 314.470 3.184 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ncccc2C)CC1 ZINC001195443854 1101134498 /nfs/dbraw/zinc/13/44/98/1101134498.db2.gz IFDQUDTXJPTETA-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC001195497281 1101150406 /nfs/dbraw/zinc/15/04/06/1101150406.db2.gz HEONPCARIBTJNS-WMLDXEAASA-N 0 3 314.429 3.358 20 30 DGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC001195497283 1101151296 /nfs/dbraw/zinc/15/12/96/1101151296.db2.gz HEONPCARIBTJNS-YOEHRIQHSA-N 0 3 314.429 3.358 20 30 DGEDHN C#CCCCCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001195556000 1101153197 /nfs/dbraw/zinc/15/31/97/1101153197.db2.gz PSWDEVNLDXUIPJ-HXUWFJFHSA-N 0 3 324.468 3.402 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(F)cc1C ZINC001196146236 1101256314 /nfs/dbraw/zinc/25/63/14/1101256314.db2.gz QHHCSVLGIJNDOX-AWEZNQCLSA-N 0 3 307.438 3.071 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C)n1)C2 ZINC001110477397 1101266257 /nfs/dbraw/zinc/26/62/57/1101266257.db2.gz FGZXQLZLRKTLDN-INMHGKMJSA-N 0 3 317.433 3.065 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC001196268403 1101274025 /nfs/dbraw/zinc/27/40/25/1101274025.db2.gz HOTHONAMVPRFJG-HWKANZROSA-N 0 3 316.420 3.339 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2onc(C)c2C)CC1 ZINC001196242969 1101277648 /nfs/dbraw/zinc/27/76/48/1101277648.db2.gz RPPNOKORKMHNOS-UHFFFAOYSA-N 0 3 321.465 3.410 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001196830495 1101401862 /nfs/dbraw/zinc/40/18/62/1101401862.db2.gz KWKWTMKMBXMVQM-ROUUACIJSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001196830319 1101402175 /nfs/dbraw/zinc/40/21/75/1101402175.db2.gz KOHLWBPMVCQLRW-FUHWJXTLSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196889945 1101416903 /nfs/dbraw/zinc/41/69/03/1101416903.db2.gz MFSCXJZRQMVRIP-AWEZNQCLSA-N 0 3 314.420 3.168 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196854899 1101418376 /nfs/dbraw/zinc/41/83/76/1101418376.db2.gz VEKWYMIRTBWEQM-KGLIPLIRSA-N 0 3 314.420 3.024 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196896236 1101429910 /nfs/dbraw/zinc/42/99/10/1101429910.db2.gz ZQFKPTRBJRTHLU-INIZCTEOSA-N 0 3 320.502 3.427 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2conc2CC)CC1 ZINC001197069422 1101469811 /nfs/dbraw/zinc/46/98/11/1101469811.db2.gz UPMXANIWAUILFT-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ocnc2CC)CC1 ZINC001197101029 1101477454 /nfs/dbraw/zinc/47/74/54/1101477454.db2.gz DRXRFICVPQDZCQ-UHFFFAOYSA-N 0 3 319.449 3.131 20 30 DGEDHN N#Cc1cnc2ccc(C3=CCN(Cc4ccccc4)CC3)cn12 ZINC001241505731 1101519602 /nfs/dbraw/zinc/51/96/02/1101519602.db2.gz ZGMIHBVEPKBVIZ-UHFFFAOYSA-N 0 3 314.392 3.495 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cnoc2CC)CC1 ZINC001197300956 1101521877 /nfs/dbraw/zinc/52/18/77/1101521877.db2.gz YADBIICUFGGVIR-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN CCN1CCN(c2ccc(-c3cccc(OC)c3C#N)cc2)CC1 ZINC001241743250 1101673392 /nfs/dbraw/zinc/67/33/92/1101673392.db2.gz MUMWECWPHGMWOS-UHFFFAOYSA-N 0 3 321.424 3.376 20 30 DGEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1cccc2nsnc21 ZINC001198414244 1101848333 /nfs/dbraw/zinc/84/83/33/1101848333.db2.gz IZPCIWWRCDCEPZ-LBPRGKRZSA-N 0 3 316.430 3.060 20 30 DGEDHN C=CCCCCCN[C@@H](CNC(C)=O)c1ccccc1OC ZINC001198454180 1101860746 /nfs/dbraw/zinc/86/07/46/1101860746.db2.gz NISWOHDDMSHGHE-KRWDZBQOSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CCC(C)C)c1ccccc1OC ZINC001198515649 1101904418 /nfs/dbraw/zinc/90/44/18/1101904418.db2.gz ONVROBHLGKVQKR-KRWDZBQOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@H](C)CC)c1ccccc1OC ZINC001198541986 1101913011 /nfs/dbraw/zinc/91/30/11/1101913011.db2.gz MAUSXGRDICYUSV-ZBFHGGJFSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)/C(C)=C/C)c1ccccc1OC ZINC001198647034 1101939250 /nfs/dbraw/zinc/93/92/50/1101939250.db2.gz IAZPEBRVIZPNTB-CVDFKLHSSA-N 0 3 316.445 3.375 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)/C(C)=C/C)c1ccccc1OC ZINC001198647035 1101939279 /nfs/dbraw/zinc/93/92/79/1101939279.db2.gz IAZPEBRVIZPNTB-GFGNLIMNSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198740399 1101964759 /nfs/dbraw/zinc/96/47/59/1101964759.db2.gz DZFVLTOJRSLMJG-QGZVFWFLSA-N 0 3 316.445 3.230 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)CCCF)c1ccccc1OC ZINC001198834179 1101990466 /nfs/dbraw/zinc/99/04/66/1101990466.db2.gz JPBRXLRWVNKTLA-MRXNPFEDSA-N 0 3 322.424 3.158 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198836188 1101993173 /nfs/dbraw/zinc/99/31/73/1101993173.db2.gz ZYYDACDVGRDYPF-KRWDZBQOSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198857583 1102004581 /nfs/dbraw/zinc/00/45/81/1102004581.db2.gz RXNOUTYFTFCWED-DOTOQJQBSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C(C)(C)C)c1ccccc1OC ZINC001198969292 1102035814 /nfs/dbraw/zinc/03/58/14/1102035814.db2.gz UWVNNHBOPKBNLW-OAHLLOKOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C(Br)CNC1CCN(C(=O)CCCCC)CC1 ZINC001199335500 1102118124 /nfs/dbraw/zinc/11/81/24/1102118124.db2.gz XTIOPXITPYKYQF-UHFFFAOYSA-N 0 3 317.271 3.056 20 30 DGEDHN Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110533067 1102140102 /nfs/dbraw/zinc/14/01/02/1102140102.db2.gz KRLLQXHFBPLPPE-AQNXPRMDSA-N 0 3 324.468 3.184 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCc2ccccc21 ZINC001110534141 1102147832 /nfs/dbraw/zinc/14/78/32/1102147832.db2.gz RBZCYNHXLHRKCP-LMCOJAPRSA-N 0 3 322.452 3.055 20 30 DGEDHN Cc1ccc(C#N)cc1-c1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001242540233 1102198543 /nfs/dbraw/zinc/19/85/43/1102198543.db2.gz MQMLPEHAIMXESP-UHFFFAOYSA-N 0 3 322.412 3.372 20 30 DGEDHN Cc1ccc(C#N)cc1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001242543144 1102199644 /nfs/dbraw/zinc/19/96/44/1102199644.db2.gz TXNDLVYAQORWPS-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@]23CCN([C@H](C)CC)C3=O)c1 ZINC001273792374 1102232585 /nfs/dbraw/zinc/23/25/85/1102232585.db2.gz QJOGCTHQWLSVEH-OXQOHEQNSA-N 0 3 310.441 3.033 20 30 DGEDHN C=C(c1ccccc1)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242891579 1102405443 /nfs/dbraw/zinc/40/54/43/1102405443.db2.gz SLWWGWONNUVIBL-OAHLLOKOSA-N 0 3 321.380 3.487 20 30 DGEDHN Cc1cccc(C)c1CN1CCN(c2cccc(C#N)c2)CC1 ZINC001137852865 1102460985 /nfs/dbraw/zinc/46/09/85/1102460985.db2.gz ZDVCWTCANDLADF-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN Cc1cc(C)cc(NC(=S)N2CCC3SC(=O)C=C3C2)c1 ZINC001201200606 1102517937 /nfs/dbraw/zinc/51/79/37/1102517937.db2.gz MCMKBFKBKIUXSC-CQSZACIVSA-N 0 3 318.467 3.274 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1CC1CCCCC1 ZINC001201397439 1102568843 /nfs/dbraw/zinc/56/88/43/1102568843.db2.gz GFCMZVZZWZTGKM-KRWDZBQOSA-N 0 3 303.450 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001201935530 1102755029 /nfs/dbraw/zinc/75/50/29/1102755029.db2.gz NUFDWCNTVIWMKH-XFXZXTDPSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202341058 1102933082 /nfs/dbraw/zinc/93/30/82/1102933082.db2.gz YESJQALYFAVJFQ-KUGGDMIFSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1csc(C)c1 ZINC001273943060 1102956296 /nfs/dbraw/zinc/95/62/96/1102956296.db2.gz UMXNVOJPKADZNF-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1C)C2 ZINC001111066761 1103033667 /nfs/dbraw/zinc/03/36/67/1103033667.db2.gz ZXVOXJVNCSRJSB-QRVBRYPASA-N 0 3 312.457 3.225 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001111073697 1103035417 /nfs/dbraw/zinc/03/54/17/1103035417.db2.gz SJHKTCDRCBNAGN-OAGGEKHMSA-N 0 3 310.457 3.450 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)OCCCCCC ZINC001325898735 1103156343 /nfs/dbraw/zinc/15/63/43/1103156343.db2.gz JCOIBPSTUIZUCG-RCCFBDPRSA-N 0 3 322.493 3.223 20 30 DGEDHN CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001488815848 1103164881 /nfs/dbraw/zinc/16/48/81/1103164881.db2.gz DDRDMDHOMOSDQB-DRDJENFHSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001488871026 1103183503 /nfs/dbraw/zinc/18/35/03/1103183503.db2.gz XXFQFHDGFHJGKK-HDJSIYSDSA-N 0 3 300.874 3.440 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001111313497 1103204861 /nfs/dbraw/zinc/20/48/61/1103204861.db2.gz HPONPVZLQCIRKR-KURKYZTESA-N 0 3 324.509 3.495 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC(C)(C)CC)C2)CC1 ZINC001488973734 1103227326 /nfs/dbraw/zinc/22/73/26/1103227326.db2.gz FVJOQIAPKWLXDL-MRXNPFEDSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CCC(=O)N1CC2(C[C@H]1C)CCN(CC#CC)CC2 ZINC001488976407 1103228407 /nfs/dbraw/zinc/22/84/07/1103228407.db2.gz UZBGVGDDLHIFCG-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN Cc1cc(C)c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cn1 ZINC001244149066 1103235690 /nfs/dbraw/zinc/23/56/90/1103235690.db2.gz MNNAGWJIKYDFCU-ZDUSSCGKSA-N 0 3 324.384 3.104 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2coc(C)c2)CCCCC1 ZINC001115501702 1103282735 /nfs/dbraw/zinc/28/27/35/1103282735.db2.gz BUOKUZPUBAMKKS-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC001326348779 1103283227 /nfs/dbraw/zinc/28/32/27/1103283227.db2.gz GVSSDXTZVAFWRE-CYBMUJFWSA-N 0 3 322.836 3.351 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](OC)C2CCCCC2)[C@H]1CC ZINC001489150007 1103301220 /nfs/dbraw/zinc/30/12/20/1103301220.db2.gz MJPSCOLIZPEVPA-RCCFBDPRSA-N 0 3 322.493 3.127 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001489200819 1103311285 /nfs/dbraw/zinc/31/12/85/1103311285.db2.gz NHYOELAHKHRLOQ-QRVBRYPASA-N 0 3 316.489 3.173 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001326458723 1103324202 /nfs/dbraw/zinc/32/42/02/1103324202.db2.gz RVOQVCOLYVCGSX-FCEWJHQRSA-N 0 3 312.457 3.357 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001326458190 1103324250 /nfs/dbraw/zinc/32/42/50/1103324250.db2.gz MOJPHFGMTPQHML-CRAIPNDOSA-N 0 3 318.436 3.449 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)SC)cc1 ZINC001326467100 1103328111 /nfs/dbraw/zinc/32/81/11/1103328111.db2.gz FFVWALSHXMKBEN-GJZGRUSLSA-N 0 3 318.486 3.118 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213320231 1103332863 /nfs/dbraw/zinc/33/28/63/1103332863.db2.gz PVRNUXQTYBUYCT-NREHPGHKSA-N 0 3 322.493 3.151 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC001326481568 1103334032 /nfs/dbraw/zinc/33/40/32/1103334032.db2.gz RUXVIEKKDAXHLL-MVJPYGJCSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cccc2)cc1 ZINC001326490946 1103338802 /nfs/dbraw/zinc/33/88/02/1103338802.db2.gz UIBBLXBRPFSOQK-IAGOWNOFSA-N 0 3 323.440 3.039 20 30 DGEDHN C#Cc1ccc(CNCc2cnc(-c3ccncc3)s2)cc1 ZINC001202474769 1103396635 /nfs/dbraw/zinc/39/66/35/1103396635.db2.gz JXEWJNVTJLGAOE-UHFFFAOYSA-N 0 3 305.406 3.476 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)[C@@H](C)CC)cccc2C1 ZINC001326671444 1103404514 /nfs/dbraw/zinc/40/45/14/1103404514.db2.gz ZTDBWRUIOLNFBS-HNNXBMFYSA-N 0 3 300.446 3.283 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001276318586 1103486701 /nfs/dbraw/zinc/48/67/01/1103486701.db2.gz DIOFKFKMEOANHB-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001490214110 1103502409 /nfs/dbraw/zinc/50/24/09/1103502409.db2.gz PKYQRTMEOMTGED-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3cc(C#N)ccc3F)c2)CC1 ZINC001244552379 1103517666 /nfs/dbraw/zinc/51/76/66/1103517666.db2.gz FYTRVGMRXVZXSN-UHFFFAOYSA-N 0 3 311.360 3.232 20 30 DGEDHN C=CCC1(C(=O)NCCCN(C)CCC(F)(F)F)CCC1 ZINC001490244393 1103521712 /nfs/dbraw/zinc/52/17/12/1103521712.db2.gz QXQCUCSKYWMMDP-UHFFFAOYSA-N 0 3 306.372 3.123 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CC(C)(C)C1CCCCC1 ZINC001490270411 1103531371 /nfs/dbraw/zinc/53/13/71/1103531371.db2.gz NUJBKWKMEYXTSF-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001327126326 1103538684 /nfs/dbraw/zinc/53/86/84/1103538684.db2.gz POCYMGLSABCRSB-CYBMUJFWSA-N 0 3 306.372 3.266 20 30 DGEDHN CC[C@@H](C)CC(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001490325388 1103570815 /nfs/dbraw/zinc/57/08/15/1103570815.db2.gz KEFSYSANXMSLEV-GOSISDBHSA-N 0 3 314.473 3.303 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1cncc(F)c1 ZINC001490341920 1103576796 /nfs/dbraw/zinc/57/67/96/1103576796.db2.gz YOSLDXBDNZLDNT-UHFFFAOYSA-N 0 3 321.440 3.151 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2ccc(C)cc2)CC1 ZINC001490412991 1103613726 /nfs/dbraw/zinc/61/37/26/1103613726.db2.gz KKXRHNKTWJWTHW-UHFFFAOYSA-N 0 3 300.446 3.036 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC001490430052 1103621889 /nfs/dbraw/zinc/62/18/89/1103621889.db2.gz ANUWKNIUSHVALD-KXBFYZLASA-N 0 3 321.424 3.080 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001490532473 1103639762 /nfs/dbraw/zinc/63/97/62/1103639762.db2.gz WUSADXSNCVULNE-INIZCTEOSA-N 0 3 304.434 3.447 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](CC)CCCC)CC1 ZINC001490596695 1103673736 /nfs/dbraw/zinc/67/37/36/1103673736.db2.gz AYVAYIHDFHBHSL-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001490610984 1103678743 /nfs/dbraw/zinc/67/87/43/1103678743.db2.gz PSHOSPIWURYGLU-QZTJIDSGSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001327682524 1103703822 /nfs/dbraw/zinc/70/38/22/1103703822.db2.gz MTSZRUWQCOOFOE-HNNXBMFYSA-N 0 3 316.445 3.008 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)ccc(F)c1F)C2 ZINC001095942152 1103707240 /nfs/dbraw/zinc/70/72/40/1103707240.db2.gz PSTZTXHBLIIIRK-SWHYSGLUSA-N 0 3 324.346 3.015 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001490754409 1103723718 /nfs/dbraw/zinc/72/37/18/1103723718.db2.gz VZHXKLKTKPMXHY-MRXNPFEDSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCF)CC1 ZINC001490796669 1103747744 /nfs/dbraw/zinc/74/77/44/1103747744.db2.gz HFTRYXCVXXMEJF-HRCADAONSA-N 0 3 308.441 3.156 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1CC)C2 ZINC001110634341 1103760722 /nfs/dbraw/zinc/76/07/22/1103760722.db2.gz ACMDUQNKIAKTJU-YUELXQCFSA-N 0 3 319.474 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccncc31)C2 ZINC001096267816 1103791988 /nfs/dbraw/zinc/79/19/88/1103791988.db2.gz CXCCDQUPINMSLO-MNEFBYGVSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cnccc3c1)C2 ZINC001096291153 1103795610 /nfs/dbraw/zinc/79/56/10/1103795610.db2.gz WXVQBZJHYIVPLO-QYZOEREBSA-N 0 3 321.424 3.146 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001328240723 1103886031 /nfs/dbraw/zinc/88/60/31/1103886031.db2.gz JMBCRIDRFLKJJO-PBHICJAKSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cc(Br)ccc1F ZINC001252618508 1103890257 /nfs/dbraw/zinc/89/02/57/1103890257.db2.gz WGAWZGKEGGHDMZ-GFCCVEGCSA-N 0 3 302.187 3.005 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C2 ZINC001096635996 1103891357 /nfs/dbraw/zinc/89/13/57/1103891357.db2.gz BXXZJCQGOGNSPX-DOADOZAASA-N 0 3 314.473 3.258 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001490802361 1103897838 /nfs/dbraw/zinc/89/78/38/1103897838.db2.gz XWIYWQPWJBUVPP-YESZJQIVSA-N 0 3 302.462 3.373 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCC(C)(C)CC1)C2 ZINC001096684302 1103902398 /nfs/dbraw/zinc/90/23/98/1103902398.db2.gz CKDOAFHVDFDPMT-SQNIBIBYSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C[C@H]1C ZINC001328294742 1103906184 /nfs/dbraw/zinc/90/61/84/1103906184.db2.gz LUQORYKXOJAQFD-ZHHRLCKPSA-N 0 3 310.441 3.001 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001328413818 1103938664 /nfs/dbraw/zinc/93/86/64/1103938664.db2.gz GQSLQKQHIDQHKZ-HNNXBMFYSA-N 0 3 313.445 3.145 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@H](C(=O)c3ccccc3)C2)cc1 ZINC001137122796 1103996658 /nfs/dbraw/zinc/99/66/58/1103996658.db2.gz SSQAWZZFUKNYNC-SFHVURJKSA-N 0 3 320.392 3.294 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC1=CCCCC1 ZINC001328683644 1104020474 /nfs/dbraw/zinc/02/04/74/1104020474.db2.gz OFNSMCBBGHHJHQ-NIKGAXFTSA-N 0 3 323.440 3.018 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)CC1(C)CCCC1 ZINC001328719379 1104036090 /nfs/dbraw/zinc/03/60/90/1104036090.db2.gz HDWAZAPGHGCGQX-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCCC(=O)N1CCC([C@H]2CCCN(CCF)C2)CC1 ZINC001328812668 1104081995 /nfs/dbraw/zinc/08/19/95/1104081995.db2.gz QZOMBROCGKELBH-SFHVURJKSA-N 0 3 322.468 3.100 20 30 DGEDHN C#CCCCCC(=O)N1CCC([C@@H]2CCCN(CCF)C2)CC1 ZINC001328812667 1104082651 /nfs/dbraw/zinc/08/26/51/1104082651.db2.gz QZOMBROCGKELBH-GOSISDBHSA-N 0 3 322.468 3.100 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc(C)c2C)C1 ZINC001328949455 1104104261 /nfs/dbraw/zinc/10/42/61/1104104261.db2.gz HSCVXNSNPKPFQN-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001329044570 1104135792 /nfs/dbraw/zinc/13/57/92/1104135792.db2.gz GNMREOGCWBCKFG-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN Cc1ccc(C#N)c(-c2cncc([C@@H]3CN4CCC3CC4)n2)c1 ZINC001245603315 1104147387 /nfs/dbraw/zinc/14/73/87/1104147387.db2.gz NDRMXETWDIOPQD-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001329131271 1104164970 /nfs/dbraw/zinc/16/49/70/1104164970.db2.gz JIFSYQDFLYXRSM-STQMWFEESA-N 0 3 319.474 3.205 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cccc(CC)n1 ZINC001329304222 1104215656 /nfs/dbraw/zinc/21/56/56/1104215656.db2.gz VEZCWOYSPPBDPO-UHFFFAOYSA-N 0 3 323.868 3.084 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1C(C)C ZINC001329346552 1104227119 /nfs/dbraw/zinc/22/71/19/1104227119.db2.gz UEYNAALKTKSSKE-UONOGXRCSA-N 0 3 300.874 3.105 20 30 DGEDHN N#CCCCCN1CCCC[C@]12CC(=O)N(CC1CCCC1)C2 ZINC001274044718 1104232915 /nfs/dbraw/zinc/23/29/15/1104232915.db2.gz AIHKEDRVBHPWBV-LJQANCHMSA-N 0 3 317.477 3.327 20 30 DGEDHN CCCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001329386508 1104242050 /nfs/dbraw/zinc/24/20/50/1104242050.db2.gz QEGYKNATFAQUEP-OAHLLOKOSA-N 0 3 301.434 3.075 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001329428360 1104261120 /nfs/dbraw/zinc/26/11/20/1104261120.db2.gz QHYPEKVYTHHVFU-GJZGRUSLSA-N 0 3 304.409 3.127 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(CCCC)cc2)C1=O ZINC001274198368 1104283560 /nfs/dbraw/zinc/28/35/60/1104283560.db2.gz UUTQVVWKTFIHBX-NRFANRHFSA-N 0 3 324.468 3.229 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccc(F)cc2)cc1 ZINC001329500916 1104287276 /nfs/dbraw/zinc/28/72/76/1104287276.db2.gz NHIGDKKICGGWSK-HNNXBMFYSA-N 0 3 324.399 3.057 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)C[C@H](OC)c1ccccc1 ZINC001329521622 1104297365 /nfs/dbraw/zinc/29/73/65/1104297365.db2.gz DRRDSQDEUULBLP-RDJZCZTQSA-N 0 3 318.461 3.023 20 30 DGEDHN CC#CCCCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001278419996 1104298078 /nfs/dbraw/zinc/29/80/78/1104298078.db2.gz JNKLUCXPKZMYKP-GOSISDBHSA-N 0 3 318.486 3.331 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329543220 1104310442 /nfs/dbraw/zinc/31/04/42/1104310442.db2.gz WNJOBEWRSIFDOC-KXBFYZLASA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCCc1ccc(C)s1 ZINC001320093692 1104375802 /nfs/dbraw/zinc/37/58/02/1104375802.db2.gz AGZCGOQGBJBWJR-UHFFFAOYSA-N 0 3 308.491 3.346 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccccc2C)C(C)(C)C1 ZINC001274454395 1104390658 /nfs/dbraw/zinc/39/06/58/1104390658.db2.gz OCJXJMSHEDTIIJ-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](CCCC)CNCc1ccc(C#N)s1 ZINC001329875376 1104403524 /nfs/dbraw/zinc/40/35/24/1104403524.db2.gz KGSDGJUORNMMDA-MECSIWFOSA-N 0 3 319.474 3.351 20 30 DGEDHN CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001274573147 1104411695 /nfs/dbraw/zinc/41/16/95/1104411695.db2.gz UNUCEXLQMAVYRU-ROUUACIJSA-N 0 3 313.445 3.145 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001274587886 1104414971 /nfs/dbraw/zinc/41/49/71/1104414971.db2.gz GGKOAUPEQRJJDC-MAUKXSAKSA-N 0 3 313.445 3.073 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C/C=C\c1ccccc1 ZINC001274626207 1104425788 /nfs/dbraw/zinc/42/57/88/1104425788.db2.gz YBIHIIUJUIKBHS-HMEHFPCLSA-N 0 3 322.452 3.082 20 30 DGEDHN CC(C)(C)c1ccc(N=NC2CCCN3CCCC[C@H]23)nn1 ZINC001329933939 1104428293 /nfs/dbraw/zinc/42/82/93/1104428293.db2.gz PHTJHNYNQPOSNW-CQSZACIVSA-N 0 3 301.438 3.190 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccc(F)c(F)c1)NC(=O)C#CC(C)(C)C ZINC001274747178 1104477171 /nfs/dbraw/zinc/47/71/71/1104477171.db2.gz HRVCVQNGCFKZEQ-OLZOCXBDSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001274773782 1104484656 /nfs/dbraw/zinc/48/46/56/1104484656.db2.gz XTFOCEBVXCCWHU-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2[nH]ccc21 ZINC001274792746 1104497926 /nfs/dbraw/zinc/49/79/26/1104497926.db2.gz QQUJJGZDWLBMKX-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(C3CCC3)cc2)C1=O ZINC001274808458 1104503785 /nfs/dbraw/zinc/50/37/85/1104503785.db2.gz CDYDQZVYKAPETJ-OAQYLSRUSA-N 0 3 322.452 3.154 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCc2ccc(Cl)s2)C1 ZINC001278443484 1104506412 /nfs/dbraw/zinc/50/64/12/1104506412.db2.gz BDDAQWHNMGUSNU-HNNXBMFYSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)CCC ZINC001274847083 1104515914 /nfs/dbraw/zinc/51/59/14/1104515914.db2.gz LCFJSOYPAPRHQZ-GOSISDBHSA-N 0 3 300.446 3.468 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCc2ccccc2)C(C)(C)C1 ZINC001330231561 1104516282 /nfs/dbraw/zinc/51/62/82/1104516282.db2.gz ZAGAKIMBGZLZOS-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001274931565 1104545630 /nfs/dbraw/zinc/54/56/30/1104545630.db2.gz RLHKSKDITHKZIX-MRXNPFEDSA-N 0 3 318.436 3.098 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)CCCCC)C[C@]2(C)C1 ZINC001330536594 1104571341 /nfs/dbraw/zinc/57/13/41/1104571341.db2.gz BSKXXKVEANDFRD-BGYRXZFFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](CN[C@H](C)c2c(F)cccc2F)C1 ZINC001330569017 1104578501 /nfs/dbraw/zinc/57/85/01/1104578501.db2.gz ASDQKVSMCTTWGY-MGPQQGTHSA-N 0 3 322.399 3.476 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C=C1CCCCC1 ZINC001275059807 1104599234 /nfs/dbraw/zinc/59/92/34/1104599234.db2.gz WLEPBAYEFKOZEL-TZIWHRDSSA-N 0 3 322.452 3.272 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccccc1CCC ZINC001275121528 1104637328 /nfs/dbraw/zinc/63/73/28/1104637328.db2.gz ONPARUBEWITUGN-QGZVFWFLSA-N 0 3 300.446 3.362 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCc3ccccc3C)CCC[C@H]12 ZINC001278459192 1104638999 /nfs/dbraw/zinc/63/89/99/1104638999.db2.gz IRBBHVVPRKVADC-PZJWPPBQSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(F)cc1Cl ZINC001275135674 1104643545 /nfs/dbraw/zinc/64/35/45/1104643545.db2.gz MUGMENPPTXNBCK-OAHLLOKOSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CN(C)C[C@H]1CC(C)(C)CO1 ZINC001275135739 1104643710 /nfs/dbraw/zinc/64/37/10/1104643710.db2.gz NNCPBKCBIPIBAX-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001330800312 1104649191 /nfs/dbraw/zinc/64/91/91/1104649191.db2.gz HWOOBTSMDKRLQD-IRVMHKCDSA-N 0 3 313.445 3.289 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C(F)F)cc1 ZINC001275151279 1104653629 /nfs/dbraw/zinc/65/36/29/1104653629.db2.gz YWQUYMGWMJQWDN-OAHLLOKOSA-N 0 3 308.372 3.347 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(Cl)s1 ZINC001275151058 1104653800 /nfs/dbraw/zinc/65/38/00/1104653800.db2.gz UKCDRHIDSGPIKC-GFCCVEGCSA-N 0 3 312.866 3.053 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccc(F)cc1F ZINC001275160154 1104658386 /nfs/dbraw/zinc/65/83/86/1104658386.db2.gz KHXAKDDKWBBGSP-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001275157947 1104660240 /nfs/dbraw/zinc/66/02/40/1104660240.db2.gz ZJOSRENLIRHRRI-PKOBYXMFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1csc2c1CCCC2 ZINC001275166592 1104661672 /nfs/dbraw/zinc/66/16/72/1104661672.db2.gz BAIUGBCGBORTML-AWEZNQCLSA-N 0 3 318.486 3.349 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001275175562 1104664979 /nfs/dbraw/zinc/66/49/79/1104664979.db2.gz IZMHHKMNIYTPCN-PKOBYXMFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(C)cc(C)nc1C ZINC001330873559 1104667210 /nfs/dbraw/zinc/66/72/10/1104667210.db2.gz FEAKAISPGVZVEP-ZDUSSCGKSA-N 0 3 323.868 3.247 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001275233138 1104683949 /nfs/dbraw/zinc/68/39/49/1104683949.db2.gz PLBWNGFZSABEIZ-OOJKYFRXSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](CC)CC(C)C)CCC[C@H]12 ZINC001278466898 1104684188 /nfs/dbraw/zinc/68/41/88/1104684188.db2.gz MBEAXWBWAPYROH-ZIFCJYIRSA-N 0 3 304.478 3.195 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001275468394 1104769102 /nfs/dbraw/zinc/76/91/02/1104769102.db2.gz AXZWOAKKWSKAPR-SJORKVTESA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001275664986 1104854277 /nfs/dbraw/zinc/85/42/77/1104854277.db2.gz BBSNZDGYIMHMDR-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)c1cccnc1 ZINC001275732568 1104886129 /nfs/dbraw/zinc/88/61/29/1104886129.db2.gz IOBFNEBNPPRHNX-AWEZNQCLSA-N 0 3 323.868 3.012 20 30 DGEDHN CCC1(C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)CCC1 ZINC001275905017 1104950213 /nfs/dbraw/zinc/95/02/13/1104950213.db2.gz RNYOANJOVMECAG-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1cccc(C)c1 ZINC001275905457 1104950489 /nfs/dbraw/zinc/95/04/89/1104950489.db2.gz ZTYAIUDTEGAAIO-KRWDZBQOSA-N 0 3 300.446 3.125 20 30 DGEDHN CCCC1(C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)CC1 ZINC001275921127 1104957660 /nfs/dbraw/zinc/95/76/60/1104957660.db2.gz QEYWKDPFWPBAEO-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001275929005 1104959462 /nfs/dbraw/zinc/95/94/62/1104959462.db2.gz WGUBHSXNWSIWKW-JKSUJKDBSA-N 0 3 302.462 3.365 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001280777574 1104986236 /nfs/dbraw/zinc/98/62/36/1104986236.db2.gz SXLYAZANIQBZLD-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(F)c(C)cc1F ZINC001276058013 1105006974 /nfs/dbraw/zinc/00/69/74/1105006974.db2.gz NOLBLGYKFQBVOA-UHFFFAOYSA-N 0 3 316.779 3.077 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCc2ccoc2)CCCCC1 ZINC001276194793 1105045282 /nfs/dbraw/zinc/04/52/82/1105045282.db2.gz VUUFQAXNOGUIOO-UHFFFAOYSA-N 0 3 324.852 3.373 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1cc(C)cc(C)c1 ZINC001276208873 1105048526 /nfs/dbraw/zinc/04/85/26/1105048526.db2.gz LWDDEZMAXLYHSW-UHFFFAOYSA-N 0 3 308.853 3.037 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cocc2C)CCCCC1 ZINC001276219098 1105052888 /nfs/dbraw/zinc/05/28/88/1105052888.db2.gz PDZSGJYWOSRRKQ-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)n(CC)c1C)C2 ZINC001095709215 1105097962 /nfs/dbraw/zinc/09/79/62/1105097962.db2.gz IVVPHJLEIXPQKM-NJAFHUGGSA-N 0 3 315.461 3.036 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc(OC(C)C)c3)no2)CCCN1 ZINC001249352098 1105271958 /nfs/dbraw/zinc/27/19/58/1105271958.db2.gz VXBRFWKMXYGQNT-GOSISDBHSA-N 0 3 311.385 3.126 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc(C)c3Cl)no2)CCCN1 ZINC001249351926 1105271969 /nfs/dbraw/zinc/27/19/69/1105271969.db2.gz PVHYXMHXLCJSES-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(F)c(C)c3Cl)no2)CCCN1 ZINC001249352083 1105272285 /nfs/dbraw/zinc/27/22/85/1105272285.db2.gz VNDLMOHEJYKQBT-MRXNPFEDSA-N 0 3 319.767 3.440 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc(Cl)c3C)no2)CCCN1 ZINC001249353657 1105272962 /nfs/dbraw/zinc/27/29/62/1105272962.db2.gz UEBLWPLIDWATBV-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001493227768 1105339437 /nfs/dbraw/zinc/33/94/37/1105339437.db2.gz QRXOHDMNDGWXQH-MRXNPFEDSA-N 0 3 318.486 3.270 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)c1ccccc1 ZINC001111443239 1105357417 /nfs/dbraw/zinc/35/74/17/1105357417.db2.gz DIOZIOQWIPIQBR-XDNAFOTISA-N 0 3 316.420 3.037 20 30 DGEDHN CCN1CCN(Cc2ccc(Nc3ccc(C#N)cc3)cc2)CC1 ZINC001249712644 1105362103 /nfs/dbraw/zinc/36/21/03/1105362103.db2.gz MXCNSHGXSHDDIG-UHFFFAOYSA-N 0 3 320.440 3.439 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Cc1ccccc1 ZINC001278539369 1105389604 /nfs/dbraw/zinc/38/96/04/1105389604.db2.gz NJRKVGBLNSMGIH-JQFCIGGWSA-N 0 3 320.864 3.102 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c3ccccc13)C2 ZINC001097462201 1105395150 /nfs/dbraw/zinc/39/51/50/1105395150.db2.gz HPBBXYHDGHDYNP-BJZITVGISA-N 0 3 323.440 3.090 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)c(OC)c2)C1 ZINC001249991300 1105422419 /nfs/dbraw/zinc/42/24/19/1105422419.db2.gz HDEJCKALAVOGJY-GFCCVEGCSA-N 0 3 313.319 3.439 20 30 DGEDHN CCN1CCN(c2ccc(Cc3ccccc3C#N)cc2)CC1 ZINC001250044707 1105432379 /nfs/dbraw/zinc/43/23/79/1105432379.db2.gz KFIHEJGKMDZBJU-UHFFFAOYSA-N 0 3 305.425 3.291 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)c(C)c1)C2 ZINC001097774138 1105441060 /nfs/dbraw/zinc/44/10/60/1105441060.db2.gz MLSRRKFZTAMGKS-OIISXLGYSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1ccn3C)C2 ZINC001098048531 1105538265 /nfs/dbraw/zinc/53/82/65/1105538265.db2.gz ULBOYKWVEKBNNF-BJZITVGISA-N 0 3 323.440 3.090 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cc(C#N)ccc3F)c2)CC1 ZINC001250632612 1105551153 /nfs/dbraw/zinc/55/11/53/1105551153.db2.gz HTYMSONXOUYUFU-UHFFFAOYSA-N 0 3 309.388 3.112 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)C2 ZINC001098217817 1105562034 /nfs/dbraw/zinc/56/20/34/1105562034.db2.gz KSVLIDVJXNFWRW-MLHJIOFPSA-N 0 3 316.489 3.338 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CCC)C2 ZINC001098212799 1105562359 /nfs/dbraw/zinc/56/23/59/1105562359.db2.gz LEVBEGATPDSUAH-BMFZPTHFSA-N 0 3 302.418 3.143 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001098265010 1105565829 /nfs/dbraw/zinc/56/58/29/1105565829.db2.gz CMTXVOPBJIKKDH-QRVBRYPASA-N 0 3 324.468 3.343 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3)CC1)C2 ZINC001098332948 1105570147 /nfs/dbraw/zinc/57/01/47/1105570147.db2.gz AGFGDUSKZHETMI-KURKYZTESA-N 0 3 310.441 3.016 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C)nc1C)C2 ZINC001098347828 1105570523 /nfs/dbraw/zinc/57/05/23/1105570523.db2.gz DZTQIETZGCJSCD-KFWWJZLASA-N 0 3 319.474 3.061 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2CC)C1 ZINC001098815259 1105605908 /nfs/dbraw/zinc/60/59/08/1105605908.db2.gz KJHNBWVPTHQRJH-KSSFIOAISA-N 0 3 302.418 3.002 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2sc(C)cc2C)C1 ZINC001098859557 1105609339 /nfs/dbraw/zinc/60/93/39/1105609339.db2.gz QWKPXXHSWFMKKP-YOEHRIQHSA-N 0 3 304.459 3.135 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)CSCCC ZINC001098926751 1105613748 /nfs/dbraw/zinc/61/37/48/1105613748.db2.gz CZIQMBCSCCLQPW-OAHLLOKOSA-N 0 3 312.523 3.313 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3ncccc3c2)C1 ZINC001099007161 1105626152 /nfs/dbraw/zinc/62/61/52/1105626152.db2.gz ZGEMVSILMZUWRQ-PXNSSMCTSA-N 0 3 321.424 3.005 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001099054033 1105635222 /nfs/dbraw/zinc/63/52/22/1105635222.db2.gz SDKHPUJGRCBGRR-LMNJBCLMSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2coc3ccccc23)C1 ZINC001099094923 1105641435 /nfs/dbraw/zinc/64/14/35/1105641435.db2.gz CHQUCIUWNJBIKJ-JXFKEZNVSA-N 0 3 324.424 3.132 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccc(C)cc1 ZINC001099135077 1105647865 /nfs/dbraw/zinc/64/78/65/1105647865.db2.gz HEPHULKSJXOXNJ-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001099173806 1105653707 /nfs/dbraw/zinc/65/37/07/1105653707.db2.gz LESUZVUVZLZWND-UWVAXJGDSA-N 0 3 312.457 3.255 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099189767 1105655755 /nfs/dbraw/zinc/65/57/55/1105655755.db2.gz WNUYNRCOYDGZJZ-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CCC ZINC001099215625 1105658223 /nfs/dbraw/zinc/65/82/23/1105658223.db2.gz XLLAUQZCRSPZSI-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257374 1105662210 /nfs/dbraw/zinc/66/22/10/1105662210.db2.gz DXWZZDHVNWPYMM-IRXDYDNUSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001099269326 1105663735 /nfs/dbraw/zinc/66/37/35/1105663735.db2.gz HPISSDMEYFSAQB-YNEHKIRRSA-N 0 3 320.399 3.224 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C2(C)CCCCC2)C[C@H]1C(F)(F)F ZINC001099301531 1105665880 /nfs/dbraw/zinc/66/58/80/1105665880.db2.gz KXEVRSBQPZSARV-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCCOC ZINC001099299290 1105665993 /nfs/dbraw/zinc/66/59/93/1105665993.db2.gz SACNMXKOYJXJKD-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1cccs1 ZINC001099333836 1105669468 /nfs/dbraw/zinc/66/94/68/1105669468.db2.gz BCRDLPVGRUPIKD-HNNXBMFYSA-N 0 3 320.502 3.474 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001099347959 1105671754 /nfs/dbraw/zinc/67/17/54/1105671754.db2.gz DEMYCMRRAPIYMF-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCCCOCC ZINC001099359031 1105673570 /nfs/dbraw/zinc/67/35/70/1105673570.db2.gz LXRIWQWIYIXANI-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C(C)=C\CC ZINC001099433361 1105679096 /nfs/dbraw/zinc/67/90/96/1105679096.db2.gz ZXIBULQQSBQAKB-DVBRYZESSA-N 0 3 322.880 3.264 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC(C)C)CC(C)C)C2 ZINC001111474667 1105687059 /nfs/dbraw/zinc/68/70/59/1105687059.db2.gz FFCAAWXRDFKOTQ-QRVBRYPASA-N 0 3 318.505 3.440 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001491118972 1105757741 /nfs/dbraw/zinc/75/77/41/1105757741.db2.gz ZKBFJTMUEKFNSN-ROUUACIJSA-N 0 3 304.478 3.220 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001491118971 1105758188 /nfs/dbraw/zinc/75/81/88/1105758188.db2.gz ZKBFJTMUEKFNSN-QZTJIDSGSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001491220271 1105778631 /nfs/dbraw/zinc/77/86/31/1105778631.db2.gz CNDXKVHRKMRCAD-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H](NC/C=C\Cl)C(C)(C)C2)CC1 ZINC001278667377 1105781630 /nfs/dbraw/zinc/78/16/30/1105781630.db2.gz QEGKPWRROWBGGJ-KHSJVXASSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC1CC1 ZINC001491279541 1105795532 /nfs/dbraw/zinc/79/55/32/1105795532.db2.gz CBZJEMWYBDDUEP-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C[C@](C)(O)CN[C@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252583191 1105797392 /nfs/dbraw/zinc/79/73/92/1105797392.db2.gz FTBJQJNHIUTLEQ-JSGCOSHPSA-N 0 3 300.324 3.078 20 30 DGEDHN C=C[C@@](C)(O)CN[C@@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252583193 1105797620 /nfs/dbraw/zinc/79/76/20/1105797620.db2.gz FTBJQJNHIUTLEQ-TZMCWYRMSA-N 0 3 300.324 3.078 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCCC(C)(C)C)C1 ZINC001491288410 1105798953 /nfs/dbraw/zinc/79/89/53/1105798953.db2.gz UDWDJLORKHEOHW-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252622576 1105806979 /nfs/dbraw/zinc/80/69/79/1105806979.db2.gz XAEPLZUTXQRVRC-GXTWGEPZSA-N 0 3 314.351 3.468 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001252621941 1105807020 /nfs/dbraw/zinc/80/70/20/1105807020.db2.gz KQBFMRRZCSIDMM-UKRRQHHQSA-N 0 3 314.351 3.468 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC001491441332 1105827225 /nfs/dbraw/zinc/82/72/25/1105827225.db2.gz LPJYLDKCYBCXCA-SUMWQHHRSA-N 0 3 322.399 3.314 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(CC(C)C)CCC3)C[C@]2(C)C1 ZINC001101295884 1105905959 /nfs/dbraw/zinc/90/59/59/1105905959.db2.gz KRFMNAHDACJJES-MJGOQNOKSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCCC[C@@H]1C(=O)NCCC ZINC001253239906 1105907010 /nfs/dbraw/zinc/90/70/10/1105907010.db2.gz VQLVUEHIQISTGL-QZTJIDSGSA-N 0 3 324.509 3.255 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C(CCC)CCC)C[C@]2(C)C1 ZINC001101344021 1105911728 /nfs/dbraw/zinc/91/17/28/1105911728.db2.gz VIKRJDNXJYSJHW-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@@H](CO)c1ccc(OC)cc1 ZINC001253251763 1105911792 /nfs/dbraw/zinc/91/17/92/1105911792.db2.gz ODVZFZFHNPHYPQ-MJGOQNOKSA-N 0 3 321.461 3.206 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@@H](CO)c1cccc(F)c1 ZINC001253251174 1105911901 /nfs/dbraw/zinc/91/19/01/1105911901.db2.gz HNAKETKZOOTWAJ-MSOLQXFVSA-N 0 3 309.425 3.336 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H](CO)c1ccccc1OC ZINC001253254644 1105912629 /nfs/dbraw/zinc/91/26/29/1105912629.db2.gz REGYQBXNYGRUSQ-FUHWJXTLSA-N 0 3 321.461 3.206 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCC(=O)Nc1ccc(F)cc1 ZINC001253256325 1105913650 /nfs/dbraw/zinc/91/36/50/1105913650.db2.gz VKRHWTGOCZVFEI-QGZVFWFLSA-N 0 3 322.424 3.241 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CCC)CC(C)C)C[C@]2(C)C1 ZINC001101482054 1105922500 /nfs/dbraw/zinc/92/25/00/1105922500.db2.gz VRLJYANUCWLCMA-GGPKGHCWSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1C ZINC001101805083 1105979994 /nfs/dbraw/zinc/97/99/94/1105979994.db2.gz GQVATCKGOILHLI-GDBMZVCRSA-N 0 3 320.864 3.490 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2cc(C)ccc2F)C[C@H]1C ZINC001101805667 1105980986 /nfs/dbraw/zinc/98/09/86/1105980986.db2.gz YPXOWTPITPOLOM-NVXWUHKLSA-N 0 3 318.436 3.284 20 30 DGEDHN COc1ccc(OC(F)(F)F)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC001254642333 1106119464 /nfs/dbraw/zinc/11/94/64/1106119464.db2.gz GWZFMEPAVNWQLJ-PWSUYJOCSA-N 0 3 314.307 3.376 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC001254645551 1106120377 /nfs/dbraw/zinc/12/03/77/1106120377.db2.gz NVKBGNUWTRIWAU-FQEVSTJZSA-N 0 3 324.424 3.438 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(N3CCCCCC3=O)c2)C1 ZINC001254648336 1106121810 /nfs/dbraw/zinc/12/18/10/1106121810.db2.gz LETHWEVRYCCHKB-NVXWUHKLSA-N 0 3 311.429 3.375 20 30 DGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1[C@H]1CC[C@H](C#N)C1 ZINC001254661419 1106126739 /nfs/dbraw/zinc/12/67/39/1106126739.db2.gz SVWQSPRMSYLYNF-ILXRZTDVSA-N 0 3 307.438 3.010 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254661268 1106126781 /nfs/dbraw/zinc/12/67/81/1106126781.db2.gz RGSDUYZIKVHYKN-KKUMJFAQSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254661273 1106126817 /nfs/dbraw/zinc/12/68/17/1106126817.db2.gz RGSDUYZIKVHYKN-ZNMIVQPWSA-N 0 3 307.438 3.058 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765917 1106140059 /nfs/dbraw/zinc/14/00/59/1106140059.db2.gz ZUCWHBKPAZPAIV-UONOGXRCSA-N 0 3 307.438 3.058 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C3CC3)CC2)C1 ZINC001103120507 1106161281 /nfs/dbraw/zinc/16/12/81/1106161281.db2.gz YNBXFEWOFDMQFO-TZMCWYRMSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C23CCC(CC2)C3)C1 ZINC001103146620 1106164747 /nfs/dbraw/zinc/16/47/47/1106164747.db2.gz QCPGTWPAUFJJKX-ZFRYHDOHSA-N 0 3 324.896 3.393 20 30 DGEDHN CC[C@@H](CC#N)NCC1(Cc2cccc(OC)c2)CCOCC1 ZINC001255160555 1106193960 /nfs/dbraw/zinc/19/39/60/1106193960.db2.gz LICVEQGLHFVBMY-KRWDZBQOSA-N 0 3 316.445 3.316 20 30 DGEDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](NCC1(C#N)CCC1)C2 ZINC001255216077 1106206402 /nfs/dbraw/zinc/20/64/02/1106206402.db2.gz KYUYWEUZXROGBY-QKDCVEJESA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1scnc1C1CC1)C(C)C ZINC001278921952 1106395922 /nfs/dbraw/zinc/39/59/22/1106395922.db2.gz CNUSAKSCOHNIMZ-UHFFFAOYSA-N 0 3 321.490 3.379 20 30 DGEDHN C[C@@H](Cc1ccccn1)N1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001256421169 1106419002 /nfs/dbraw/zinc/41/90/02/1106419002.db2.gz IHITZXRCBUAPDT-LPHOPBHVSA-N 0 3 321.424 3.428 20 30 DGEDHN C[C@@H](Cc1ccccn1)N1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001256421170 1106419267 /nfs/dbraw/zinc/41/92/67/1106419267.db2.gz IHITZXRCBUAPDT-QFBILLFUSA-N 0 3 321.424 3.428 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001278940980 1106431027 /nfs/dbraw/zinc/43/10/27/1106431027.db2.gz XYOWNSVQBDLAPW-IUODEOHRSA-N 0 3 321.490 3.286 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCC(N2CC(CC#N)C2)CC1 ZINC001256666981 1106465420 /nfs/dbraw/zinc/46/54/20/1106465420.db2.gz PGSUZZQGZAXZFT-UHFFFAOYSA-N 0 3 307.438 3.010 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC(C)(C)C=C)C2)CC1 ZINC001278963861 1106481562 /nfs/dbraw/zinc/48/15/62/1106481562.db2.gz GXFYSYXCIHTFHB-GOSISDBHSA-N 0 3 316.489 3.173 20 30 DGEDHN CC[C@@H]1C[C@@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257115985 1106541781 /nfs/dbraw/zinc/54/17/81/1106541781.db2.gz HAKTYBRTQMMBQK-UONOGXRCSA-N 0 3 307.438 3.058 20 30 DGEDHN CCOC(=O)c1ccc(C[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC001257145935 1106544502 /nfs/dbraw/zinc/54/45/02/1106544502.db2.gz KOUVNRKFQQNCPX-HNNXBMFYSA-N 0 3 314.429 3.468 20 30 DGEDHN CCOC(=O)c1ccc(C[C@@H](C)NCc2ccccc2C#N)cc1 ZINC001257148853 1106544684 /nfs/dbraw/zinc/54/46/84/1106544684.db2.gz OQUHAVWRNHHGTJ-OAHLLOKOSA-N 0 3 322.408 3.456 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001278996007 1106545053 /nfs/dbraw/zinc/54/50/53/1106545053.db2.gz QMHKUQUYGBNVCJ-AWEZNQCLSA-N 0 3 309.479 3.120 20 30 DGEDHN CCOC(=O)c1ccc(C[C@@H](C)NCc2ccc(C#N)o2)cc1 ZINC001257155434 1106546039 /nfs/dbraw/zinc/54/60/39/1106546039.db2.gz YOEJFAABMHCXFO-CYBMUJFWSA-N 0 3 312.369 3.049 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](CNCc1cnoc1C)C(C)(C)C ZINC001278996353 1106546093 /nfs/dbraw/zinc/54/60/93/1106546093.db2.gz WJDKSQDSPDLLLG-HOCLYGCPSA-N 0 3 321.465 3.206 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN([C@H](CC)CCCC)CC2 ZINC001257420021 1106584634 /nfs/dbraw/zinc/58/46/34/1106584634.db2.gz CUOZIZKZUUMBHM-OAHLLOKOSA-N 0 3 305.466 3.450 20 30 DGEDHN CCCCCCCCCC[C@H](C)N(C)S(=O)(=O)CCN ZINC001257548637 1106604351 /nfs/dbraw/zinc/60/43/51/1106604351.db2.gz WSRDRHKHSBXFRD-HNNXBMFYSA-N 0 3 306.516 3.126 20 30 DGEDHN C[C@@H](CC#N)N[C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257809243 1106630662 /nfs/dbraw/zinc/63/06/62/1106630662.db2.gz ZOOUQKGRNDAKIX-RLFYNMQTSA-N 0 3 321.465 3.448 20 30 DGEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@H](C)Cc1ccco1)CCO2 ZINC001258191127 1106692264 /nfs/dbraw/zinc/69/22/64/1106692264.db2.gz AOEMWUYXYHVYFL-ZIFCJYIRSA-N 0 3 319.445 3.284 20 30 DGEDHN CCOC(=O)C1(C#N)CCN([C@H](C)CC(C)(C)SC)CC1 ZINC001258345968 1106719956 /nfs/dbraw/zinc/71/99/56/1106719956.db2.gz QYRAWKRKZBCIMO-CYBMUJFWSA-N 0 3 312.479 3.075 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)CCc1ccccc1 ZINC001320007119 1106778807 /nfs/dbraw/zinc/77/88/07/1106778807.db2.gz IGRBILXSTTWVFU-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC001316938521 1106787538 /nfs/dbraw/zinc/78/75/38/1106787538.db2.gz YVMDDJARMNGZJM-HNNXBMFYSA-N 0 3 318.436 3.428 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001320025434 1106794056 /nfs/dbraw/zinc/79/40/56/1106794056.db2.gz HEZNBBKODOFJAO-UHFFFAOYSA-N 0 3 314.429 3.062 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1c(C)cccc1C ZINC001320032408 1106798757 /nfs/dbraw/zinc/79/87/57/1106798757.db2.gz DKJBPKLZOPUOEX-UHFFFAOYSA-N 0 3 302.462 3.406 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001320041790 1106814018 /nfs/dbraw/zinc/81/40/18/1106814018.db2.gz JMPOXHRKOFWEQP-OAHLLOKOSA-N 0 3 306.425 3.286 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001320085036 1106853415 /nfs/dbraw/zinc/85/34/15/1106853415.db2.gz MZWCVIRSVOZFFD-HNNXBMFYSA-N 0 3 306.425 3.286 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2sccc2C(F)F)C1 ZINC001316990435 1106869042 /nfs/dbraw/zinc/86/90/42/1106869042.db2.gz HNHHDJCVSPRNNH-NSHDSACASA-N 0 3 314.401 3.456 20 30 DGEDHN O=C(CC#Cc1ccccc1)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001316995954 1106879143 /nfs/dbraw/zinc/87/91/43/1106879143.db2.gz SWMWBFUWZBUJGM-HXUWFJFHSA-N 0 3 322.452 3.119 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccoc2Cl)CC1 ZINC001317003922 1106886270 /nfs/dbraw/zinc/88/62/70/1106886270.db2.gz FEUHYYVZRJBKKO-UHFFFAOYSA-N 0 3 322.836 3.273 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC001317006381 1106890381 /nfs/dbraw/zinc/89/03/81/1106890381.db2.gz SRZIGVNAYJWKEE-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCC[C@H](CCC)N1CCN(c2nccnc2C#N)CC1 ZINC001258674344 1106898155 /nfs/dbraw/zinc/89/81/55/1106898155.db2.gz VOUBBWYZIHIEHJ-INIZCTEOSA-N 0 3 315.465 3.219 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](OCC=C)C2)cc1OC ZINC001320208521 1106929074 /nfs/dbraw/zinc/92/90/74/1106929074.db2.gz JNOONNGAVQSHTJ-MRXNPFEDSA-N 0 3 303.402 3.037 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001317039266 1106936241 /nfs/dbraw/zinc/93/62/41/1106936241.db2.gz PLNCNSQYNXXJAB-CYBMUJFWSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1csnc1C ZINC001317044697 1106943451 /nfs/dbraw/zinc/94/34/51/1106943451.db2.gz KBQYIMAXEHUOGD-AEGPPILISA-N 0 3 319.474 3.095 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001317044714 1106943518 /nfs/dbraw/zinc/94/35/18/1106943518.db2.gz VHTHCRROOXNREG-OAGGEKHMSA-N 0 3 314.429 3.036 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001317044714 1106943526 /nfs/dbraw/zinc/94/35/26/1106943526.db2.gz VHTHCRROOXNREG-OAGGEKHMSA-N 0 3 314.429 3.036 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001317046452 1106947270 /nfs/dbraw/zinc/94/72/70/1106947270.db2.gz WVCKEALPYLSWCR-MEWRGDBZSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001317078392 1106972917 /nfs/dbraw/zinc/97/29/17/1106972917.db2.gz NPHYGSLKJGTXOG-JOCQHMNTSA-N 0 3 317.260 3.311 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001317083747 1106977123 /nfs/dbraw/zinc/97/71/23/1106977123.db2.gz NZVZMXGNIHLONO-SHTZXODSSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001317083731 1106977182 /nfs/dbraw/zinc/97/71/82/1106977182.db2.gz NRGTWMVBTFPVJF-UBHSHLNASA-N 0 3 322.399 3.475 20 30 DGEDHN N#CC1(c2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)cc2)CC1 ZINC001320497891 1107027932 /nfs/dbraw/zinc/02/79/32/1107027932.db2.gz QDCLWMGASATYMC-INIZCTEOSA-N 0 3 320.396 3.101 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001317135114 1107037887 /nfs/dbraw/zinc/03/78/87/1107037887.db2.gz GVIONYXRDVPGNH-INIZCTEOSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001317137923 1107043951 /nfs/dbraw/zinc/04/39/51/1107043951.db2.gz KWVFCAJATVJTPX-CQSZACIVSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(Cl)s1 ZINC001320628642 1107079612 /nfs/dbraw/zinc/07/96/12/1107079612.db2.gz WYIHRFBRHOHECV-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC001317381759 1107290172 /nfs/dbraw/zinc/29/01/72/1107290172.db2.gz QUFMNUUTQQCASM-CYBMUJFWSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2ccccc2F)CC1 ZINC001317409569 1107330291 /nfs/dbraw/zinc/33/02/91/1107330291.db2.gz DTUJNOLCHYUVJO-CYBMUJFWSA-N 0 3 324.827 3.094 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001321468161 1107357663 /nfs/dbraw/zinc/35/76/63/1107357663.db2.gz DPZNADNVKSOBFD-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccnc(C)c1 ZINC001317433480 1107360251 /nfs/dbraw/zinc/36/02/51/1107360251.db2.gz ZVVAOKSQPYCNRG-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](C)CNCc1ccccn1)c1ccccc1 ZINC001321750811 1107425270 /nfs/dbraw/zinc/42/52/70/1107425270.db2.gz SANKXTDDHONCLT-IAGOWNOFSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1coc2ccc(Cl)cc21 ZINC001317469558 1107426024 /nfs/dbraw/zinc/42/60/24/1107426024.db2.gz RASCLRKQPDHCRF-UHFFFAOYSA-N 0 3 306.793 3.324 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001321790565 1107435725 /nfs/dbraw/zinc/43/57/25/1107435725.db2.gz WITTWZSQVVPGEU-AWEZNQCLSA-N 0 3 320.864 3.222 20 30 DGEDHN CC(C)c1ccc(CN(CCNC(=O)[C@H](C)C#N)C2CC2)cc1 ZINC001317549534 1107521997 /nfs/dbraw/zinc/52/19/97/1107521997.db2.gz YFBFAUJWRBHYHV-OAHLLOKOSA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001322130187 1107529361 /nfs/dbraw/zinc/52/93/61/1107529361.db2.gz OBJPCRIEWQLIMY-SUMWQHHRSA-N 0 3 304.409 3.216 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)Cc1ccc(C)cc1)C1CC1 ZINC001317561401 1107544284 /nfs/dbraw/zinc/54/42/84/1107544284.db2.gz KVOPEDZIVRVQKI-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2cccc(F)c2)CCC1 ZINC001317628837 1107571517 /nfs/dbraw/zinc/57/15/17/1107571517.db2.gz WFODKZKBRRPJRL-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1CC ZINC001322224210 1107576363 /nfs/dbraw/zinc/57/63/63/1107576363.db2.gz POBBJVGEYOMLCH-KRWDZBQOSA-N 0 3 314.473 3.379 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)C/C=C/c2ccccc2)C1 ZINC001322243660 1107588324 /nfs/dbraw/zinc/58/83/24/1107588324.db2.gz HCFYTTJXPVHVOX-VGMNTSGFSA-N 0 3 312.457 3.493 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)C/C=C\c2ccccc2)C1 ZINC001322243658 1107588497 /nfs/dbraw/zinc/58/84/97/1107588497.db2.gz HCFYTTJXPVHVOX-NLZINVLXSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCN1CCC(Nc2cc(Cl)nc([C@@H]3CCCO3)n2)CC1 ZINC001262059971 1107599347 /nfs/dbraw/zinc/59/93/47/1107599347.db2.gz NDZMXUUEQOLHAI-ZDUSSCGKSA-N 0 3 322.840 3.044 20 30 DGEDHN CC(C)N(CCCNC(=O)[C@H](C)C#N)Cc1ccccc1Cl ZINC001317685073 1107603836 /nfs/dbraw/zinc/60/38/36/1107603836.db2.gz XPEAIKNFXMKKKT-CQSZACIVSA-N 0 3 321.852 3.216 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(Cc2ocnc2C)C(C)C)C1 ZINC001317699787 1107610495 /nfs/dbraw/zinc/61/04/95/1107610495.db2.gz KKMRMRMZODBTIY-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CCCC12CC2)c1ccccc1 ZINC001317721884 1107623698 /nfs/dbraw/zinc/62/36/98/1107623698.db2.gz ZYQCXTKNSATBOO-MSOLQXFVSA-N 0 3 310.441 3.037 20 30 DGEDHN C[C@@H](NCCOc1ccc2c(c1)CCC2)c1cc(C#N)ccn1 ZINC001262160519 1107632332 /nfs/dbraw/zinc/63/23/32/1107632332.db2.gz HQMOILAMDWUPGB-CQSZACIVSA-N 0 3 307.397 3.172 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001317761449 1107646817 /nfs/dbraw/zinc/64/68/17/1107646817.db2.gz MALACHAQHFOOFV-MRXNPFEDSA-N 0 3 303.450 3.134 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1ccncc1Cl ZINC001322715940 1107742790 /nfs/dbraw/zinc/74/27/90/1107742790.db2.gz GPTXUIVXGGAONA-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ncsc1C(C)C ZINC001322784251 1107755626 /nfs/dbraw/zinc/75/56/26/1107755626.db2.gz RYOGMGVYIWYBOV-UHFFFAOYSA-N 0 3 315.870 3.071 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001323005371 1107803803 /nfs/dbraw/zinc/80/38/03/1107803803.db2.gz JGHNEPYUJQHADO-KRWDZBQOSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001318148442 1107860244 /nfs/dbraw/zinc/86/02/44/1107860244.db2.gz HTIAXRZWCYWLLM-INIZCTEOSA-N 0 3 300.446 3.460 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1 ZINC001318198753 1107893488 /nfs/dbraw/zinc/89/34/88/1107893488.db2.gz XUNAKTFTXDOETR-OALUTQOASA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001323246496 1107901771 /nfs/dbraw/zinc/90/17/71/1107901771.db2.gz NSYKMAPMCWYPDC-JSGCOSHPSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccs1 ZINC001318217314 1107902369 /nfs/dbraw/zinc/90/23/69/1107902369.db2.gz ZTXPJAWSUBLECW-KKUMJFAQSA-N 0 3 304.459 3.103 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CC2)C1 ZINC001318216388 1107902594 /nfs/dbraw/zinc/90/25/94/1107902594.db2.gz NSGBOECXXRAZRR-IRXDYDNUSA-N 0 3 304.478 3.432 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2c1 ZINC001318214501 1107902807 /nfs/dbraw/zinc/90/28/07/1107902807.db2.gz GGLVGFLOZFEXJJ-JLSDUUJJSA-N 0 3 323.440 3.421 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC001263079027 1107934413 /nfs/dbraw/zinc/93/44/13/1107934413.db2.gz CRAVYVZTLYNUTR-STQMWFEESA-N 0 3 317.458 3.027 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001323323801 1107934899 /nfs/dbraw/zinc/93/48/99/1107934899.db2.gz KBPCZSQJCQCWJL-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001323325179 1107938695 /nfs/dbraw/zinc/93/86/95/1107938695.db2.gz SNOAOYVMKDPURU-QGZVFWFLSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(CCCF)C1)c1ccccc1 ZINC001318310560 1107939380 /nfs/dbraw/zinc/93/93/80/1107939380.db2.gz PCFJJGZNSLXQED-ROUUACIJSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001323341474 1107944884 /nfs/dbraw/zinc/94/48/84/1107944884.db2.gz VHXLANAREGHALZ-HOCLYGCPSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001323350610 1107945227 /nfs/dbraw/zinc/94/52/27/1107945227.db2.gz GCWZSYDCJVMPGA-JKSUJKDBSA-N 0 3 303.450 3.228 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001318334055 1107945402 /nfs/dbraw/zinc/94/54/02/1107945402.db2.gz OSVCXEJXCIFRGF-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC001263124476 1107956005 /nfs/dbraw/zinc/95/60/05/1107956005.db2.gz LUDLATAABSYMEA-LBTNJELSSA-N 0 3 316.445 3.213 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001323404788 1107965722 /nfs/dbraw/zinc/96/57/22/1107965722.db2.gz CEJXVORNTSBMQT-QGZVFWFLSA-N 0 3 316.420 3.408 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1 ZINC001263221228 1107978229 /nfs/dbraw/zinc/97/82/29/1107978229.db2.gz IROYKHUAFXIICP-HZPDHXFCSA-N 0 3 322.836 3.123 20 30 DGEDHN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)[C@@H](N)CCCCC#N ZINC001263221766 1107980215 /nfs/dbraw/zinc/98/02/15/1107980215.db2.gz ZYKXJJNIBFXMNO-SJORKVTESA-N 0 3 313.445 3.192 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001263277334 1107994317 /nfs/dbraw/zinc/99/43/17/1107994317.db2.gz DZFMWTUWBNQQHE-GJZGRUSLSA-N 0 3 321.852 3.391 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001323518103 1107996895 /nfs/dbraw/zinc/99/68/95/1107996895.db2.gz GOXPKHCWYNRZIF-AWEZNQCLSA-N 0 3 306.475 3.397 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001318441805 1108006121 /nfs/dbraw/zinc/00/61/21/1108006121.db2.gz IOFKGCVOVZUZIP-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN CC(C)(C#N)c1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)cc1 ZINC001323555195 1108010324 /nfs/dbraw/zinc/01/03/24/1108010324.db2.gz BDUPGYUORNNWHA-INIZCTEOSA-N 0 3 322.412 3.347 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CC(C)C)c2ccccc2)CC1 ZINC001323567494 1108016911 /nfs/dbraw/zinc/01/69/11/1108016911.db2.gz NUNHBBISSSBHHE-SFHVURJKSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCCC)C1 ZINC001323639195 1108036511 /nfs/dbraw/zinc/03/65/11/1108036511.db2.gz YGJGDWRHYLSPHR-QZTJIDSGSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCC(=O)N1CC[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC001323842757 1108100519 /nfs/dbraw/zinc/10/05/19/1108100519.db2.gz AQRLJQOFGPTXQF-LJQANCHMSA-N 0 3 316.420 3.216 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001263615925 1108110302 /nfs/dbraw/zinc/11/03/02/1108110302.db2.gz JGMJANBBWZADIS-IJLUTSLNSA-N 0 3 305.809 3.466 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001263616057 1108110460 /nfs/dbraw/zinc/11/04/60/1108110460.db2.gz MVLLYDQBKDCCNQ-CJNGLKHVSA-N 0 3 313.376 3.487 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001323874797 1108110725 /nfs/dbraw/zinc/11/07/25/1108110725.db2.gz YWDQUZNHPLRKRM-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2cncs2)CCCC1 ZINC001318614437 1108125903 /nfs/dbraw/zinc/12/59/03/1108125903.db2.gz NWHQAHXJCWSJHF-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@@H]1C ZINC001324052256 1108160790 /nfs/dbraw/zinc/16/07/90/1108160790.db2.gz PVZWJWMVRHOOEM-XLCKQVHISA-N 0 3 305.249 3.241 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@H]1C ZINC001324052257 1108160916 /nfs/dbraw/zinc/16/09/16/1108160916.db2.gz PVZWJWMVRHOOEM-YURTZEIPSA-N 0 3 305.249 3.241 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CCNCc2ocnc2C)C1 ZINC001318824491 1108207201 /nfs/dbraw/zinc/20/72/01/1108207201.db2.gz IJZQSULVYUFJJL-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001318834165 1108211509 /nfs/dbraw/zinc/21/15/09/1108211509.db2.gz CBWANYUDZHOZKF-OAHLLOKOSA-N 0 3 323.868 3.216 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001318836278 1108212832 /nfs/dbraw/zinc/21/28/32/1108212832.db2.gz KLRTWLHELFLIHS-GJZGRUSLSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1sc(C)cc1C ZINC001263819559 1108231093 /nfs/dbraw/zinc/23/10/93/1108231093.db2.gz WXTWWLTWOYYJCS-OAHLLOKOSA-N 0 3 306.475 3.016 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001263820766 1108233948 /nfs/dbraw/zinc/23/39/48/1108233948.db2.gz GPMGFOHDJMYDPV-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001263823811 1108235406 /nfs/dbraw/zinc/23/54/06/1108235406.db2.gz XQUANMOYSFTMAV-UONOGXRCSA-N 0 3 321.490 3.207 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001263823812 1108235764 /nfs/dbraw/zinc/23/57/64/1108235764.db2.gz XQUANMOYSFTMAV-ZIAGYGMSSA-N 0 3 321.490 3.207 20 30 DGEDHN CC(C)CC(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001324290685 1108237712 /nfs/dbraw/zinc/23/77/12/1108237712.db2.gz CWHAXLOKLFCNTN-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC001324319067 1108248981 /nfs/dbraw/zinc/24/89/81/1108248981.db2.gz TYAAINQDOUQVMQ-PLNGDYQASA-N 0 3 316.420 3.386 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001318948395 1108249806 /nfs/dbraw/zinc/24/98/06/1108249806.db2.gz QYQOIZQKYQSNBB-NEIBWFHRSA-N 0 3 311.429 3.041 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001324335116 1108254536 /nfs/dbraw/zinc/25/45/36/1108254536.db2.gz PLCOQGRLSYTBQJ-JKSUJKDBSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2CCC)cc1 ZINC001318995467 1108268838 /nfs/dbraw/zinc/26/88/38/1108268838.db2.gz DBQMSRMUNVJLDG-RBUKOAKNSA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc3occc3s2)cc1 ZINC001319000334 1108269968 /nfs/dbraw/zinc/26/99/68/1108269968.db2.gz OHVUQZQFBPRCGV-UHFFFAOYSA-N 0 3 324.405 3.147 20 30 DGEDHN C#CCN(C(=O)C1CC(C)(C)C1)C1CCN(CC=C(C)C)CC1 ZINC001324387689 1108271587 /nfs/dbraw/zinc/27/15/87/1108271587.db2.gz WWGWRUSXITYIQA-UHFFFAOYSA-N 0 3 316.489 3.315 20 30 DGEDHN C#Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC001324523749 1108329093 /nfs/dbraw/zinc/32/90/93/1108329093.db2.gz 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/nfs/dbraw/zinc/47/10/10/1108471010.db2.gz HGZNSLFABNOTPX-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1c(C)cccc1Cl ZINC001319448954 1108473384 /nfs/dbraw/zinc/47/33/84/1108473384.db2.gz SZGYSDBPRTZNRQ-OAHLLOKOSA-N 0 3 320.864 3.388 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001319463916 1108481519 /nfs/dbraw/zinc/48/15/19/1108481519.db2.gz LARCQGFXWIRSAN-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncsc1C(C)C ZINC001264376004 1108488578 /nfs/dbraw/zinc/48/85/78/1108488578.db2.gz AHCKTQBIBVZGDE-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCCC(=O)NC[C@]1(C)CCCN(Cc2cnccc2C)C1 ZINC001324919267 1108511471 /nfs/dbraw/zinc/51/14/71/1108511471.db2.gz DHZNTGBMDNXRRF-IBGZPJMESA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001324957457 1108534351 /nfs/dbraw/zinc/53/43/51/1108534351.db2.gz KZDLJOMPLGFDSW-HXUWFJFHSA-N 0 3 314.473 3.250 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3ccncc32)C1 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CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NCc1sccc1Cl ZINC001282129117 1109454672 /nfs/dbraw/zinc/45/46/72/1109454672.db2.gz PRUBVCRFLHIPLJ-VXGBXAGGSA-N 0 3 312.866 3.044 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001282185504 1109465387 /nfs/dbraw/zinc/46/53/87/1109465387.db2.gz OLAWNYSDDUSECE-GJZGRUSLSA-N 0 3 306.425 3.473 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)[C@H](C)c1cccc(OC)c1 ZINC001282444430 1109511213 /nfs/dbraw/zinc/51/12/13/1109511213.db2.gz QSEGFKOVSVYQHH-HUUCEWRRSA-N 0 3 318.461 3.405 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001282495254 1109526743 /nfs/dbraw/zinc/52/67/43/1109526743.db2.gz DUJCPLJHQVHMJK-MRXNPFEDSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001282498412 1109527293 /nfs/dbraw/zinc/52/72/93/1109527293.db2.gz XLSRQRKGQXBCSH-LSDHHAIUSA-N 0 3 306.425 3.017 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC001282664729 1109547348 /nfs/dbraw/zinc/54/73/48/1109547348.db2.gz AFLWFLNSHBYBIO-AWEZNQCLSA-N 0 3 318.383 3.103 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001282707551 1109555615 /nfs/dbraw/zinc/55/56/15/1109555615.db2.gz WDQISAGCFFPZIA-KRWDZBQOSA-N 0 3 312.457 3.043 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001282737440 1109558787 /nfs/dbraw/zinc/55/87/87/1109558787.db2.gz BLZGQHTXVZPAFV-LBPRGKRZSA-N 0 3 324.827 3.034 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)c2oncc2C)C(C)(C)C1 ZINC001282834466 1109572732 /nfs/dbraw/zinc/57/27/32/1109572732.db2.gz VXIQFLGYMWARCG-HNNXBMFYSA-N 0 3 321.465 3.394 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001282832355 1109572836 /nfs/dbraw/zinc/57/28/36/1109572836.db2.gz FNOBTMVDPXBBHL-HKUYNNGSSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001282832359 1109572874 /nfs/dbraw/zinc/57/28/74/1109572874.db2.gz FNOBTMVDPXBBHL-MJGOQNOKSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001283066934 1109590419 /nfs/dbraw/zinc/59/04/19/1109590419.db2.gz JMUJWZQZGLERED-MWQQHZPXSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001283101676 1109594611 /nfs/dbraw/zinc/59/46/11/1109594611.db2.gz PRVXZLWJOYWZEQ-JOCQHMNTSA-N 0 3 310.825 3.083 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001283631376 1109663697 /nfs/dbraw/zinc/66/36/97/1109663697.db2.gz JUFYAUWRNBXGCM-QXAKKESOSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)CC1 ZINC001283663886 1109668642 /nfs/dbraw/zinc/66/86/42/1109668642.db2.gz SPTCPZPPYBYKJC-SFHVURJKSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001283664165 1109668680 /nfs/dbraw/zinc/66/86/80/1109668680.db2.gz VGQZSXOEMKAPNC-FXAWDEMLSA-N 0 3 312.457 3.077 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCC1(C)CC1 ZINC001283925866 1109701676 /nfs/dbraw/zinc/70/16/76/1109701676.db2.gz UMCDBDCRRLPQSV-MJGOQNOKSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2scnc2C)C[C@@H]1C ZINC001283987225 1109711210 /nfs/dbraw/zinc/71/12/10/1109711210.db2.gz XFWZGOMPCXRDRC-GXTWGEPZSA-N 0 3 321.490 3.133 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC[C@@H](C)CC)CCC[C@@H]12 ZINC001284058782 1109725842 /nfs/dbraw/zinc/72/58/42/1109725842.db2.gz RYLUELSLFKNBJU-YQVWRLOYSA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)Cc3ccccc3)CCC[C@@H]12 ZINC001284072846 1109730179 /nfs/dbraw/zinc/73/01/79/1109730179.db2.gz WPIYVVCPZNKNHG-FBBABVLZSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001284132507 1109744740 /nfs/dbraw/zinc/74/47/40/1109744740.db2.gz WBHVPQLRRWKDBI-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1c(F)cccc1F)C(C)C ZINC001284544149 1109807789 /nfs/dbraw/zinc/80/77/89/1109807789.db2.gz MIUSJHRHXVLOPK-AWEZNQCLSA-N 0 3 324.415 3.423 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001284592310 1109820802 /nfs/dbraw/zinc/82/08/02/1109820802.db2.gz YJQHXYSRHOPPNM-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001316856250 1111236657 /nfs/dbraw/zinc/23/66/57/1111236657.db2.gz DTNNSGVXSQUMGP-DLBZAZTESA-N 0 3 306.494 3.300 20 30 DGEDHN CN(Cc1cc2ccccc2o1)C[C@@H](O)c1cccc(C#N)c1 ZINC001307519097 1111310915 /nfs/dbraw/zinc/31/09/15/1111310915.db2.gz LEQQRTGLPWNPFY-GOSISDBHSA-N 0 3 306.365 3.470 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(C)c(F)c1 ZINC001307639901 1111322702 /nfs/dbraw/zinc/32/27/02/1111322702.db2.gz UHFXQZNIEMVTNH-DYVFJYSZSA-N 0 3 319.424 3.183 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C2CCC2)C1 ZINC001307947365 1111358701 /nfs/dbraw/zinc/35/87/01/1111358701.db2.gz PSRGCAAHZFOYQL-YOEHRIQHSA-N 0 3 311.429 3.397 20 30 DGEDHN C#CCN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCCc2ccccc21 ZINC001308105198 1111378159 /nfs/dbraw/zinc/37/81/59/1111378159.db2.gz YUNYNIXZIZGGNU-PKOBYXMFSA-N 0 3 323.436 3.485 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1OCCNCc1cc(C#N)ccc1N(C)C ZINC001308201210 1111396911 /nfs/dbraw/zinc/39/69/11/1111396911.db2.gz XKYRBJHNFQMWQV-BEFAXECRSA-N 0 3 315.461 3.309 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(NC(=O)N(C)C)cc2)cc1 ZINC001308383718 1111423840 /nfs/dbraw/zinc/42/38/40/1111423840.db2.gz OEPUGHGZPRZEQA-UHFFFAOYSA-N 0 3 307.397 3.051 20 30 DGEDHN CCCCCCCS(=O)(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC001309060762 1111510490 /nfs/dbraw/zinc/51/04/90/1111510490.db2.gz SMAVVFHQXGDGPT-CVEARBPZSA-N 0 3 318.527 3.139 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc2cscc2s1)C1CC1 ZINC001316923872 1111727547 /nfs/dbraw/zinc/72/75/47/1111727547.db2.gz YZVXSZNVRYTHSA-UHFFFAOYSA-N 0 3 318.467 3.180 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccccc1C ZINC001316805620 1111741763 /nfs/dbraw/zinc/74/17/63/1111741763.db2.gz CIEYWFGBOUNLFR-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)[C@H]1C ZINC001316791851 1111768140 /nfs/dbraw/zinc/76/81/40/1111768140.db2.gz CHNXZRBDHGUFSE-NJAFHUGGSA-N 0 3 300.446 3.191 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccc(C)s2)[C@H]1C ZINC001316801599 1111770369 /nfs/dbraw/zinc/77/03/69/1111770369.db2.gz VBHDXWSJSQMOSL-ZBFHGGJFSA-N 0 3 306.475 3.144 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CN(C)C[C@@H]1CCCCO1 ZINC001316804599 1111773249 /nfs/dbraw/zinc/77/32/49/1111773249.db2.gz SABIWOFJKSLWDL-ROUUACIJSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)[nH]c1C ZINC001316875940 1111787685 /nfs/dbraw/zinc/78/76/85/1111787685.db2.gz GYKOVXRECRHBHV-ZBFHGGJFSA-N 0 3 323.868 3.357 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)[nH]c1C ZINC001316875934 1111788042 /nfs/dbraw/zinc/78/80/42/1111788042.db2.gz GYKOVXRECRHBHV-GDBMZVCRSA-N 0 3 323.868 3.357 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C(C)(C)C ZINC000074596031 185000534 /nfs/dbraw/zinc/00/05/34/185000534.db2.gz VYMWSGKVSDDPJC-MDZDMXLPSA-N 0 3 313.445 3.051 20 30 DGEDHN C[C@H]1[C@@H](NCc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000309820462 231105375 /nfs/dbraw/zinc/10/53/75/231105375.db2.gz PJFCCOVFHMDGIH-KSSFIOAISA-N 0 3 311.454 3.372 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)C)c1ccccc1 ZINC000129380547 432004939 /nfs/dbraw/zinc/00/49/39/432004939.db2.gz OEKAIKWKNIDKKN-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)C)c1ccccc1 ZINC000129380793 432005093 /nfs/dbraw/zinc/00/50/93/432005093.db2.gz OEKAIKWKNIDKKN-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cccc(C#N)c1C ZINC000415319571 529616097 /nfs/dbraw/zinc/61/60/97/529616097.db2.gz TVDLFFTVEJLRBB-QGZVFWFLSA-N 0 3 322.412 3.251 20 30 DGEDHN C[C@@H](NCc1ccccc1OCCN(C)C)c1ccc(C#N)cc1 ZINC000181627131 199329350 /nfs/dbraw/zinc/32/93/50/199329350.db2.gz IWGBUMRKGIMLDW-MRXNPFEDSA-N 0 3 323.440 3.349 20 30 DGEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000331330365 529835131 /nfs/dbraw/zinc/83/51/31/529835131.db2.gz SNFCUWYDWOXEBL-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1CCC(C)(C)CC1 ZINC000331335671 529835544 /nfs/dbraw/zinc/83/55/44/529835544.db2.gz XXRJUCURIIISTE-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000344121021 529923687 /nfs/dbraw/zinc/92/36/87/529923687.db2.gz DMDIBQDOQMOFRS-UHFFFAOYSA-N 0 3 319.408 3.273 20 30 DGEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCC(C)(C)C1 ZINC000361472219 282339314 /nfs/dbraw/zinc/33/93/14/282339314.db2.gz WCPOBEDBOIQUHW-OAHLLOKOSA-N 0 3 305.466 3.182 20 30 DGEDHN CCN(CCC#N)C(=O)CN(Cc1ccccc1)CC1CCC1 ZINC000065161729 432011310 /nfs/dbraw/zinc/01/13/10/432011310.db2.gz NJDMPLICHULJJN-UHFFFAOYSA-N 0 3 313.445 3.051 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@H](COC)OC)cc1 ZINC000272707055 210111860 /nfs/dbraw/zinc/11/18/60/210111860.db2.gz UNWPEXSISRZVKZ-BBRMVZONSA-N 0 3 313.825 3.130 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000066393669 432015518 /nfs/dbraw/zinc/01/55/18/432015518.db2.gz OVHAMPIZKIYGAX-LBPRGKRZSA-N 0 3 314.216 3.014 20 30 DGEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)CC)cc1 ZINC000104686630 432016941 /nfs/dbraw/zinc/01/69/41/432016941.db2.gz VOTOAVCLLMIWEB-OAHLLOKOSA-N 0 3 317.433 3.062 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104696458 432016950 /nfs/dbraw/zinc/01/69/50/432016950.db2.gz KEPVIMFPOSJNNA-DNVCBOLYSA-N 0 3 313.445 3.126 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2csc(C(C)C)n2)CC1 ZINC000106035189 432019205 /nfs/dbraw/zinc/01/92/05/432019205.db2.gz VNKARLSSYPFOQI-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 ZINC000106035363 432019651 /nfs/dbraw/zinc/01/96/51/432019651.db2.gz MFUXPNXIQLCNLT-HZPDHXFCSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000106037909 432020166 /nfs/dbraw/zinc/02/01/66/432020166.db2.gz JYOXAYKHMXMEGS-UHFFFAOYSA-N 0 3 315.461 3.210 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@H](C)C2)CC1 ZINC000106274964 432020197 /nfs/dbraw/zinc/02/01/97/432020197.db2.gz CCLYEIUIDKRDBR-HOTGVXAUSA-N 0 3 307.482 3.152 20 30 DGEDHN N#Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000139682062 186023132 /nfs/dbraw/zinc/02/31/32/186023132.db2.gz BANWTMGZMRAJSX-UHFFFAOYSA-N 0 3 312.417 3.040 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cc2C)CC1 ZINC000164413615 186158521 /nfs/dbraw/zinc/15/85/21/186158521.db2.gz QLCABDMOARURHI-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c(C#N)c1C ZINC000191850437 186264522 /nfs/dbraw/zinc/26/45/22/186264522.db2.gz QJYCHYJMXRCDBH-BXUZGUMPSA-N 0 3 303.406 3.263 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc([C@@H](C)O)cc2)cc1 ZINC000172115441 198041789 /nfs/dbraw/zinc/04/17/89/198041789.db2.gz XDSIDQNSSUAWRR-MRXNPFEDSA-N 0 3 309.409 3.432 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(C)c2C)CC1 ZINC000172151038 198047433 /nfs/dbraw/zinc/04/74/33/198047433.db2.gz BVVSCEJKPWDYIJ-INIZCTEOSA-N 0 3 315.461 3.314 20 30 DGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000130702553 432028462 /nfs/dbraw/zinc/02/84/62/432028462.db2.gz DIZLGIBCLTWTDI-KRWDZBQOSA-N 0 3 310.401 3.114 20 30 DGEDHN C[C@H](COc1ccc(F)cc1F)NCc1cccc(C#N)c1 ZINC000067250435 432028587 /nfs/dbraw/zinc/02/85/87/432028587.db2.gz SUSMHAGBJLBYSW-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(-n2cccn2)c1 ZINC000130744834 432029365 /nfs/dbraw/zinc/02/93/65/432029365.db2.gz NNPVJZYJLCEQKC-UHFFFAOYSA-N 0 3 302.381 3.376 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCCC(=O)Nc2ccccc2)C1 ZINC000126891697 283048921 /nfs/dbraw/zinc/04/89/21/283048921.db2.gz DJXUBSOPQVOLSX-UHFFFAOYSA-N 0 3 319.408 3.229 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000297613923 283067370 /nfs/dbraw/zinc/06/73/70/283067370.db2.gz KVBOZIKNQYKSKL-HOTGVXAUSA-N 0 3 306.413 3.049 20 30 DGEDHN CC(C)c1ncc(CNCCOc2ccc(C#N)cc2)s1 ZINC000133044017 432057240 /nfs/dbraw/zinc/05/72/40/432057240.db2.gz PQWXDNHKZFRROS-UHFFFAOYSA-N 0 3 301.415 3.307 20 30 DGEDHN N#Cc1csc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 ZINC000084084422 283246132 /nfs/dbraw/zinc/24/61/32/283246132.db2.gz CLFULEOKSQPANA-OAHLLOKOSA-N 0 3 323.421 3.245 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H](CNCc1cc(C#N)cs1)C1CC1 ZINC000133712083 432069917 /nfs/dbraw/zinc/06/99/17/432069917.db2.gz ZFFSVJXVXSXYNH-AWEZNQCLSA-N 0 3 321.446 3.013 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000180478285 199164044 /nfs/dbraw/zinc/16/40/44/199164044.db2.gz LWXKOFMMMLWJDA-JKSUJKDBSA-N 0 3 315.461 3.131 20 30 DGEDHN Cc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc1 ZINC000134304574 432075811 /nfs/dbraw/zinc/07/58/11/432075811.db2.gz CTHJAYYIZLPUNA-KRWDZBQOSA-N 0 3 324.403 3.159 20 30 DGEDHN C[C@H](NCCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173887098 299298153 /nfs/dbraw/zinc/29/81/53/299298153.db2.gz OMNMEYHFKFVILN-INIZCTEOSA-N 0 3 305.425 3.267 20 30 DGEDHN N#Cc1cccc(CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000237744542 202344589 /nfs/dbraw/zinc/34/45/89/202344589.db2.gz RDWWOPBOISXRGP-UHFFFAOYSA-N 0 3 310.372 3.493 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000424130638 237882009 /nfs/dbraw/zinc/88/20/09/237882009.db2.gz UBYVEJMTQRCKNS-AWEZNQCLSA-N 0 3 319.474 3.087 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000428557270 238025407 /nfs/dbraw/zinc/02/54/07/238025407.db2.gz IIVDUMMPKSFMTD-KRWDZBQOSA-N 0 3 322.408 3.332 20 30 DGEDHN Cc1cc(C(C)(C)NC(=O)C(C)C#N)ccc1Br ZINC000428135735 238009818 /nfs/dbraw/zinc/00/98/18/238009818.db2.gz ROXSUJQPOCPNOM-SNVBAGLBSA-N 0 3 309.207 3.269 20 30 DGEDHN N#CCC1(CNCc2cccc(OCc3ccccn3)c2)CC1 ZINC000430070071 238065770 /nfs/dbraw/zinc/06/57/70/238065770.db2.gz WQDPBSHKQGWOKG-UHFFFAOYSA-N 0 3 307.397 3.444 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1cccc(F)c1 ZINC000433166568 238148879 /nfs/dbraw/zinc/14/88/79/238148879.db2.gz KXLPTXJQTUPZKB-KRWDZBQOSA-N 0 3 310.372 3.257 20 30 DGEDHN N#Cc1ccc(CNCC2(CO)CC(c3ccccc3)C2)cc1 ZINC000433179203 238148971 /nfs/dbraw/zinc/14/89/71/238148971.db2.gz VTVWWQYWKRFPPO-UHFFFAOYSA-N 0 3 306.409 3.204 20 30 DGEDHN Cc1ccccc1OCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433297822 238154278 /nfs/dbraw/zinc/15/42/78/238154278.db2.gz MMZBVJKZGQBELV-SFHVURJKSA-N 0 3 322.408 3.263 20 30 DGEDHN N#CCCn1cc(CNCc2ccccc2)c(-c2ccncc2)n1 ZINC000433329777 238156478 /nfs/dbraw/zinc/15/64/78/238156478.db2.gz VQUCWESPFNOYNO-UHFFFAOYSA-N 0 3 317.396 3.149 20 30 DGEDHN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2cccc(C#N)c2)on1 ZINC000434658154 238224761 /nfs/dbraw/zinc/22/47/61/238224761.db2.gz AJYOFQYOHPOJBF-INIZCTEOSA-N 0 3 324.384 3.020 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435051997 238270738 /nfs/dbraw/zinc/27/07/38/238270738.db2.gz ZDVGDZLEBJVBBE-UHFFFAOYSA-N 0 3 319.408 3.290 20 30 DGEDHN COc1ccc2c(c1)OC[C@H](N[C@H](C)c1cccc(C#N)c1)C2 ZINC000271895484 209305377 /nfs/dbraw/zinc/30/53/77/209305377.db2.gz TZUGPVWAJUDVQF-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN CCn1cnnc1[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189833232 432096156 /nfs/dbraw/zinc/09/61/56/432096156.db2.gz OOYMINZZRDDSGW-YOEHRIQHSA-N 0 3 309.417 3.110 20 30 DGEDHN Cc1sc(NC(=O)CN[C@@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000194311176 201200515 /nfs/dbraw/zinc/20/05/15/201200515.db2.gz AQJHTMOHOWLFIK-IINYFYTJSA-N 0 3 305.447 3.343 20 30 DGEDHN N#C[C@H]1CC[C@H](Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000442852698 239135908 /nfs/dbraw/zinc/13/59/08/239135908.db2.gz HTVGAJHGDFZDIV-WMZOPIPTSA-N 0 3 315.486 3.382 20 30 DGEDHN Cc1cc(CNCc2ccccc2-n2ccnc2)ccc1C#N ZINC000443967920 239243746 /nfs/dbraw/zinc/24/37/46/239243746.db2.gz DTARZYIVTNJAQB-UHFFFAOYSA-N 0 3 302.381 3.342 20 30 DGEDHN Cc1cc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)ccc1C#N ZINC000443998643 239247481 /nfs/dbraw/zinc/24/74/81/239247481.db2.gz WCYADOHENLDOJL-PMACEKPBSA-N 0 3 324.399 3.262 20 30 DGEDHN C=C[C@@](C)(CCOC)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000275504200 212379351 /nfs/dbraw/zinc/37/93/51/212379351.db2.gz TVXZJMFUIHRVIB-SFHVURJKSA-N 0 3 315.417 3.278 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000135156472 432103458 /nfs/dbraw/zinc/10/34/58/432103458.db2.gz ZGAOAPMIHMNYPX-ROUUACIJSA-N 0 3 314.429 3.346 20 30 DGEDHN N#CCCCNCc1ccnc2c(Br)cccc12 ZINC000449236275 240083719 /nfs/dbraw/zinc/08/37/19/240083719.db2.gz XJTMZSDQKQVSGO-UHFFFAOYSA-N 0 3 304.191 3.391 20 30 DGEDHN C=CCN1CC[C@H](N(C)Cc2cccc3c(OC)cccc23)C1=O ZINC000449302770 240121684 /nfs/dbraw/zinc/12/16/84/240121684.db2.gz KVYDCCFDZDRZLQ-SFHVURJKSA-N 0 3 324.424 3.067 20 30 DGEDHN CC1(C#N)CCC(Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000449338975 240139998 /nfs/dbraw/zinc/13/99/98/240139998.db2.gz WXBWXKHAWCBSRO-AVAKVYKDSA-N 0 3 313.445 3.138 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000449435969 240204122 /nfs/dbraw/zinc/20/41/22/240204122.db2.gz GKVKNXWPGGCKOX-BYCMXARLSA-N 0 3 312.335 3.411 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(N(C)c2ccccc2)nc1 ZINC000449518071 240261668 /nfs/dbraw/zinc/26/16/68/240261668.db2.gz IIDYSQZWXBIRKJ-MSOLQXFVSA-N 0 3 309.413 3.283 20 30 DGEDHN COc1ccc(CN2CCC[C@]3(CCSC3)C2)cc1C#N ZINC000449730212 240386184 /nfs/dbraw/zinc/38/61/84/240386184.db2.gz CYXKHVBMRNYZBJ-KRWDZBQOSA-N 0 3 302.443 3.286 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000451599040 241185767 /nfs/dbraw/zinc/18/57/67/241185767.db2.gz MUJFKZRZWWUERG-ZZCKCESHSA-N 0 3 316.445 3.460 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000451609180 241189025 /nfs/dbraw/zinc/18/90/25/241189025.db2.gz PJYJOLCKWWQQRG-MOPGFXCFSA-N 0 3 322.408 3.372 20 30 DGEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C12CCC2 ZINC000451478402 241136053 /nfs/dbraw/zinc/13/60/53/241136053.db2.gz JWEAWILQGAGENS-IRXDYDNUSA-N 0 3 300.402 3.004 20 30 DGEDHN C[C@H](NCC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H](C)C1 ZINC000452077337 241312360 /nfs/dbraw/zinc/31/23/60/241312360.db2.gz ZXJIIPLSHHLARH-AGIUHOORSA-N 0 3 305.447 3.363 20 30 DGEDHN C=CCC1(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CCCCC1 ZINC000452167991 241338317 /nfs/dbraw/zinc/33/83/17/241338317.db2.gz XJDWDZLBUOKLGP-MRXNPFEDSA-N 0 3 304.478 3.456 20 30 DGEDHN COc1ccc([C@H](C)N(C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000268599336 432110487 /nfs/dbraw/zinc/11/04/87/432110487.db2.gz ICIQFADPZKXFOF-IFXJQAMLSA-N 0 3 310.397 3.293 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(C)(NCc2ccc(C#N)o2)CC1 ZINC000190004628 432111179 /nfs/dbraw/zinc/11/11/79/432111179.db2.gz KTWQIDPXZVSXES-UHFFFAOYSA-N 0 3 319.405 3.030 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453455537 241794279 /nfs/dbraw/zinc/79/42/79/241794279.db2.gz SNBPVKVGDIQMLN-OAHLLOKOSA-N 0 3 317.481 3.042 20 30 DGEDHN CC(C)CC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000088558099 283942149 /nfs/dbraw/zinc/94/21/49/283942149.db2.gz JFQFEVQZYKXJAD-QGZVFWFLSA-N 0 3 313.445 3.281 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCSC3(CCCCC3)C2)cc1 ZINC000268633003 432113022 /nfs/dbraw/zinc/11/30/22/432113022.db2.gz QGNCQZNJNNKLNB-QGZVFWFLSA-N 0 3 316.470 3.343 20 30 DGEDHN C=C(CC)CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000455542768 242230311 /nfs/dbraw/zinc/23/03/11/242230311.db2.gz RNSYKRCOVGSIGG-KRWDZBQOSA-N 0 3 315.461 3.116 20 30 DGEDHN CC(C)OCCCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000456107913 242350527 /nfs/dbraw/zinc/35/05/27/242350527.db2.gz NNMAMUXTWWVXQB-KRWDZBQOSA-N 0 3 302.418 3.032 20 30 DGEDHN Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1CN(C)C ZINC000458264014 243011061 /nfs/dbraw/zinc/01/10/61/243011061.db2.gz BKUAHUGIXLZBJJ-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN CCN(CCn1cc(Cl)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000459300631 243323383 /nfs/dbraw/zinc/32/33/83/243323383.db2.gz KMRLAFGVQREJPF-ZDUSSCGKSA-N 0 3 302.809 3.491 20 30 DGEDHN C=CCN1CC[C@H](N(C)CCCc2c(F)cccc2Cl)C1=O ZINC000467522300 243998643 /nfs/dbraw/zinc/99/86/43/243998643.db2.gz OSNHVEIOOZLWHI-INIZCTEOSA-N 0 3 324.827 3.130 20 30 DGEDHN N#Cc1ccc(NC(=O)CN(CC2CC2)CC2CC2)cc1Cl ZINC000115564683 284114638 /nfs/dbraw/zinc/11/46/38/284114638.db2.gz AWYDKOHECKAVOM-UHFFFAOYSA-N 0 3 317.820 3.272 20 30 DGEDHN CCCCC1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115598258 284114980 /nfs/dbraw/zinc/11/49/80/284114980.db2.gz CSWOOJYQMXPVTB-UYJHFMRCSA-N 0 3 313.445 3.423 20 30 DGEDHN C=CCOCCCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000470766555 244185626 /nfs/dbraw/zinc/18/56/26/244185626.db2.gz RIJLEDIXQZHEDD-IAGOWNOFSA-N 0 3 309.450 3.023 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000268704576 432123649 /nfs/dbraw/zinc/12/36/49/432123649.db2.gz RYHCGYVNYVGSKL-MJGOQNOKSA-N 0 3 310.372 3.220 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000271730113 209163499 /nfs/dbraw/zinc/16/34/99/209163499.db2.gz TZBYCFORXPOZHG-GDBMZVCRSA-N 0 3 307.434 3.462 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271723322 209157996 /nfs/dbraw/zinc/15/79/96/209157996.db2.gz ODDKFGAWWHMWMV-MAUKXSAKSA-N 0 3 315.413 3.035 20 30 DGEDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000271684216 209123952 /nfs/dbraw/zinc/12/39/52/209123952.db2.gz PKQURFUVMSGDHO-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C=CCOc1ccc(CNC[C@@](C)(O)c2ccco2)cc1Cl ZINC000266172357 205156881 /nfs/dbraw/zinc/15/68/81/205156881.db2.gz ROWVUGOJMDVYHV-QGZVFWFLSA-N 0 3 321.804 3.495 20 30 DGEDHN CC[C@@H](NCc1cccc(C#N)c1)[C@H](O)c1c(F)cccc1F ZINC000266330133 205271603 /nfs/dbraw/zinc/27/16/03/205271603.db2.gz VKNSXOIUNVHUTH-AEFFLSMTSA-N 0 3 316.351 3.438 20 30 DGEDHN CN(C(=O)c1ccc(C#N)s1)C(C)(C)CN1CCCCCC1 ZINC000493994088 246105234 /nfs/dbraw/zinc/10/52/34/246105234.db2.gz YBAXYQXWGOYZLY-UHFFFAOYSA-N 0 3 319.474 3.346 20 30 DGEDHN CCCN(CC1(C#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494095243 246110112 /nfs/dbraw/zinc/11/01/12/246110112.db2.gz SPJOIMKOJMUSOZ-UHFFFAOYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCCC(F)(F)F)CC1 ZINC000494805534 246195030 /nfs/dbraw/zinc/19/50/30/246195030.db2.gz URCMLGRUXMCEEQ-LBPRGKRZSA-N 0 3 321.387 3.057 20 30 DGEDHN CC(C)C[C@H](CNCC1(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000496242764 246371418 /nfs/dbraw/zinc/37/14/18/246371418.db2.gz GZEKKQZLBPTORQ-CQSZACIVSA-N 0 3 309.454 3.209 20 30 DGEDHN C[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000271917932 209321976 /nfs/dbraw/zinc/32/19/76/209321976.db2.gz CURDSSFSGGFASU-CQSZACIVSA-N 0 3 317.408 3.141 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000268897485 207067803 /nfs/dbraw/zinc/06/78/03/207067803.db2.gz AYUUGLQDVQYLND-GKCIPKSASA-N 0 3 307.393 3.008 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000058648574 184126316 /nfs/dbraw/zinc/12/63/16/184126316.db2.gz YFXPZYXJRBJGJG-HNNXBMFYSA-N 0 3 304.394 3.100 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@](C)(O)c2ccsc2)cc1 ZINC000269074019 207222426 /nfs/dbraw/zinc/22/24/26/207222426.db2.gz XRWOOFCQTKTVGN-KSSFIOAISA-N 0 3 315.438 3.318 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000249260198 285065260 /nfs/dbraw/zinc/06/52/60/285065260.db2.gz HQFIRUMFZAIZDP-WBVHZDCISA-N 0 3 308.429 3.307 20 30 DGEDHN CN(Cc1ccc(Br)cc1C#N)CC1CCOCC1 ZINC000336808599 253001647 /nfs/dbraw/zinc/00/16/47/253001647.db2.gz CLOODTOECDNATJ-UHFFFAOYSA-N 0 3 323.234 3.179 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000337811139 253177907 /nfs/dbraw/zinc/17/79/07/253177907.db2.gz LRZNOLUYBBKMFH-BEFAXECRSA-N 0 3 321.424 3.288 20 30 DGEDHN CC(C)SCCN1CCCN(c2ccccc2C#N)CC1 ZINC000338265019 253253313 /nfs/dbraw/zinc/25/33/13/253253313.db2.gz RQRXSLSLJAMGPM-UHFFFAOYSA-N 0 3 303.475 3.212 20 30 DGEDHN COC(=O)C(C)(C)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000338570460 253313067 /nfs/dbraw/zinc/31/30/67/253313067.db2.gz MUCNRDYJDXXXKC-UHFFFAOYSA-N 0 3 312.413 3.237 20 30 DGEDHN C[C@@]1(NCc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000120237493 195126122 /nfs/dbraw/zinc/12/61/22/195126122.db2.gz XIRWAPKTRXTBRT-HXUWFJFHSA-N 0 3 322.408 3.406 20 30 DGEDHN Cn1cc(-c2ccccc2CNCc2cc(C#N)cs2)cn1 ZINC000340104317 253562995 /nfs/dbraw/zinc/56/29/95/253562995.db2.gz LZTCUFUKOJLHQE-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN COCC1(C#N)CCN(Cc2cc(C)nc3ccccc23)CC1 ZINC000342003892 533111549 /nfs/dbraw/zinc/11/15/49/533111549.db2.gz XYLNRUCCOSPVDG-UHFFFAOYSA-N 0 3 309.413 3.295 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000347962858 533112181 /nfs/dbraw/zinc/11/21/81/533112181.db2.gz TVNQHXPANJOFDY-GXSJLCMTSA-N 0 3 313.184 3.133 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000345839020 533116199 /nfs/dbraw/zinc/11/61/99/533116199.db2.gz IMUJVGDFLQLKDI-KBPBESRZSA-N 0 3 321.380 3.276 20 30 DGEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1-n1cncn1 ZINC000343154326 254108070 /nfs/dbraw/zinc/10/80/70/254108070.db2.gz QOYQUVWUYPDQLN-HNNXBMFYSA-N 0 3 317.396 3.298 20 30 DGEDHN Cc1ccnc(N2CCCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000343508686 254153449 /nfs/dbraw/zinc/15/34/49/254153449.db2.gz JGIMXXNBEJYQRC-QGZVFWFLSA-N 0 3 320.440 3.363 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OCCC(C)C ZINC000347037140 533127690 /nfs/dbraw/zinc/12/76/90/533127690.db2.gz NLDBKOZBDHRTBP-KGLIPLIRSA-N 0 3 318.417 3.457 20 30 DGEDHN C[C@H]1Cc2ccccc2N1CCNCc1ccc(C#N)cc1F ZINC000343786399 254188286 /nfs/dbraw/zinc/18/82/86/254188286.db2.gz PZFXORKYXGASFY-AWEZNQCLSA-N 0 3 309.388 3.238 20 30 DGEDHN Cc1cc(C)c(C#N)c(N(C)CCCN(C)Cc2ccco2)n1 ZINC000343806444 254190613 /nfs/dbraw/zinc/19/06/13/254190613.db2.gz JZFXWKBKCBLGJC-UHFFFAOYSA-N 0 3 312.417 3.121 20 30 DGEDHN CCc1nc(CCNCc2ccc(C#N)cc2F)sc1C ZINC000344118055 254227734 /nfs/dbraw/zinc/22/77/34/254227734.db2.gz PNLCUCCRIJSTBN-UHFFFAOYSA-N 0 3 303.406 3.357 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000344125089 254229337 /nfs/dbraw/zinc/22/93/37/254229337.db2.gz QQUKTDJZQONNJV-UHFFFAOYSA-N 0 3 305.381 3.079 20 30 DGEDHN C[C@]1(NCc2ccc(C#N)cc2OC(F)F)CCO[C@H]1C1CC1 ZINC000344379048 254264355 /nfs/dbraw/zinc/26/43/55/254264355.db2.gz DFWMABANQDYHOM-RDJZCZTQSA-N 0 3 322.355 3.207 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000344406140 254266912 /nfs/dbraw/zinc/26/69/12/254266912.db2.gz BJGZTNJMZQOEFQ-LJQANCHMSA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1ccc(CNCC[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000345011664 254323110 /nfs/dbraw/zinc/32/31/10/254323110.db2.gz BBXIDEMNMHKXLG-OAHLLOKOSA-N 0 3 312.344 3.017 20 30 DGEDHN C#CCCCCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000155118509 197023576 /nfs/dbraw/zinc/02/35/76/197023576.db2.gz PPRZNDOADZFVFF-UHFFFAOYSA-N 0 3 315.461 3.083 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C2CC2)C1 ZINC000344020704 533170181 /nfs/dbraw/zinc/17/01/81/533170181.db2.gz PADGSVWOIZDFHD-QZDWLRDRSA-N 0 3 317.477 3.038 20 30 DGEDHN COc1cc2nccc(N3CCC(F)(C#N)CC3)c2cc1OC ZINC000413278212 533179896 /nfs/dbraw/zinc/17/98/96/533179896.db2.gz GFGLULSLAFNZQM-UHFFFAOYSA-N 0 3 315.348 3.084 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000289519549 221036556 /nfs/dbraw/zinc/03/65/56/221036556.db2.gz VIRZMDSYUVNXJF-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN C#C[C@@H](NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1F ZINC000491375175 533267107 /nfs/dbraw/zinc/26/71/07/533267107.db2.gz UXKHYUBYXMRQRN-QGZVFWFLSA-N 0 3 306.812 3.370 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCCCC[C@H]1C[C@@H](C)O ZINC000318450274 533269204 /nfs/dbraw/zinc/26/92/04/533269204.db2.gz PMZZJUGLNMQUFD-PBHICJAKSA-N 0 3 302.418 3.082 20 30 DGEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000331324077 533388191 /nfs/dbraw/zinc/38/81/91/533388191.db2.gz DLFUAKWTAMQOQY-HNNXBMFYSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2F)CN1Cc1ccccc1 ZINC000413190757 533662494 /nfs/dbraw/zinc/66/24/94/533662494.db2.gz XMHZFBWFHMTNRD-CZUORRHYSA-N 0 3 310.376 3.167 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000584689085 400088415 /nfs/dbraw/zinc/08/84/15/400088415.db2.gz XHKPVTZUARGDJR-LSDHHAIUSA-N 0 3 317.481 3.041 20 30 DGEDHN Cc1nccc([C@H]2CCCN(CCc3ccc(C#N)cc3)C2)n1 ZINC000595293185 400119045 /nfs/dbraw/zinc/11/90/45/400119045.db2.gz GYGGTCBYXKXUDA-SFHVURJKSA-N 0 3 306.413 3.079 20 30 DGEDHN CC(C)c1ccc2c(c1)CN(C(=O)[C@@H](N)CCCCC#N)CC2 ZINC000595255201 400114823 /nfs/dbraw/zinc/11/48/23/400114823.db2.gz BFUSLYSCGYIANG-SFHVURJKSA-N 0 3 313.445 3.106 20 30 DGEDHN CC(C)[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000008002936 400116507 /nfs/dbraw/zinc/11/65/07/400116507.db2.gz HCGDKSXAOMAXKF-QZTJIDSGSA-N 0 3 301.434 3.028 20 30 DGEDHN C[C@H](C#N)C(=O)Nc1ccc(SCCN2CCCCC2)cc1 ZINC000581550861 400080327 /nfs/dbraw/zinc/08/03/27/400080327.db2.gz ROQVVLKTDWXEPN-CQSZACIVSA-N 0 3 317.458 3.363 20 30 DGEDHN CN1CCC(N(C(=O)c2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000609566699 400175880 /nfs/dbraw/zinc/17/58/80/400175880.db2.gz FKORBMRSWNEDMD-UHFFFAOYSA-N 0 3 319.408 3.299 20 30 DGEDHN C[C@@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000609739429 400188699 /nfs/dbraw/zinc/18/86/99/400188699.db2.gz ISBJXLWERYOYHL-SFHVURJKSA-N 0 3 319.452 3.480 20 30 DGEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccccc1Br ZINC000609574662 400177078 /nfs/dbraw/zinc/17/70/78/400177078.db2.gz QGRXDIDMYQFZJU-GFCCVEGCSA-N 0 3 322.250 3.088 20 30 DGEDHN CC(C)[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000609631962 400182605 /nfs/dbraw/zinc/18/26/05/400182605.db2.gz ZDHLJLOGRBBJKP-MRXNPFEDSA-N 0 3 305.466 3.087 20 30 DGEDHN CCN(CCN1C[C@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595296063 400120577 /nfs/dbraw/zinc/12/05/77/400120577.db2.gz WYPYOPRSZYTZGF-ULQDDVLXSA-N 0 3 315.461 3.050 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc(C(C)(C)C)ccc1C#N ZINC000588071884 400185429 /nfs/dbraw/zinc/18/54/29/400185429.db2.gz MNZHHSOGWPYINS-GDBMZVCRSA-N 0 3 312.461 3.314 20 30 DGEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc(C(C)(C)C)ccc1C#N ZINC000588071886 400185594 /nfs/dbraw/zinc/18/55/94/400185594.db2.gz MNZHHSOGWPYINS-HOCLYGCPSA-N 0 3 312.461 3.314 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCCC)cc2C)CC1 ZINC000066921506 400129037 /nfs/dbraw/zinc/12/90/37/400129037.db2.gz UHANZHXIKRSGPF-UHFFFAOYSA-N 0 3 314.429 3.068 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(O[C@@H](C)CC)c2)CC1 ZINC000066922522 400129683 /nfs/dbraw/zinc/12/96/83/400129683.db2.gz ACSQTPILGVEXIN-HNNXBMFYSA-N 0 3 314.429 3.148 20 30 DGEDHN C[C@@H](c1cccs1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000314752422 400141662 /nfs/dbraw/zinc/14/16/62/400141662.db2.gz YEQNLHGWQGEFHB-ZFWWWQNUSA-N 0 3 316.426 3.052 20 30 DGEDHN COc1ccc2c(c1)CCCN(CCOc1ccc(C#N)cc1)C2 ZINC000609133947 400142148 /nfs/dbraw/zinc/14/21/48/400142148.db2.gz OBPVWQUDQFHZLI-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791049 400157313 /nfs/dbraw/zinc/15/73/13/400157313.db2.gz YMHQNXUVRJQOQK-GFCCVEGCSA-N 0 3 323.352 3.135 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NC2CCN(CC)CC2)c1 ZINC000067320245 400162110 /nfs/dbraw/zinc/16/21/10/400162110.db2.gz BILDBBREGTVRAX-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000320214236 400164289 /nfs/dbraw/zinc/16/42/89/400164289.db2.gz YESJAYORSMHDJF-MSOLQXFVSA-N 0 3 310.397 3.039 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000616758944 400220736 /nfs/dbraw/zinc/22/07/36/400220736.db2.gz VCINONPJCMDQAJ-IBGZPJMESA-N 0 3 323.415 3.404 20 30 DGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000595660028 400220869 /nfs/dbraw/zinc/22/08/69/400220869.db2.gz QJXDXIVGQVONMZ-JKSUJKDBSA-N 0 3 303.450 3.006 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000595734300 400245380 /nfs/dbraw/zinc/24/53/80/400245380.db2.gz RCTATSNKDHGCPQ-KSZLIROESA-N 0 3 312.413 3.112 20 30 DGEDHN COc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1C#N ZINC000595781194 400256968 /nfs/dbraw/zinc/25/69/68/400256968.db2.gz AJDFAPPOJBCSFF-IBGZPJMESA-N 0 3 314.429 3.348 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](CCF)C1 ZINC000595755308 400251708 /nfs/dbraw/zinc/25/17/08/400251708.db2.gz KNWBMWIEDPRESS-GFCCVEGCSA-N 0 3 309.410 3.020 20 30 DGEDHN CC1CCC(N2CCN(C(=O)CCCCCC#N)CC2)CC1 ZINC000588158360 400192855 /nfs/dbraw/zinc/19/28/55/400192855.db2.gz UFXRDLLCQOXOAA-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000067703943 400196140 /nfs/dbraw/zinc/19/61/40/400196140.db2.gz MHYMDVQAVUQLDI-UHFFFAOYSA-N 0 3 311.212 3.277 20 30 DGEDHN N#CCCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000588283095 400206467 /nfs/dbraw/zinc/20/64/67/400206467.db2.gz NDDANRKHTNWDNR-SFHVURJKSA-N 0 3 313.445 3.241 20 30 DGEDHN Cc1ccccc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000026224072 400254631 /nfs/dbraw/zinc/25/46/31/400254631.db2.gz IHQOHNRUFXPJKE-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H](c2ccccc2)C2CC2)cc1 ZINC000023678703 400211911 /nfs/dbraw/zinc/21/19/11/400211911.db2.gz MFKGORAKMCCEKM-ICSRJNTNSA-N 0 3 322.408 3.039 20 30 DGEDHN N#Cc1csc(CN[C@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000610488770 400262936 /nfs/dbraw/zinc/26/29/36/400262936.db2.gz ROTRJQLMDMZSKD-ZDUSSCGKSA-N 0 3 319.380 3.266 20 30 DGEDHN COc1ccccc1[C@H](CNc1cnccc1C#N)N1CCCC1 ZINC000094131828 400269627 /nfs/dbraw/zinc/26/96/27/400269627.db2.gz NKSVTGFSZNYBFP-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN N#Cc1ccncc1NCC1(N2CCSCC2)CCCCC1 ZINC000094158383 400271441 /nfs/dbraw/zinc/27/14/41/400271441.db2.gz JMQBAYOTBMXZGU-UHFFFAOYSA-N 0 3 316.474 3.117 20 30 DGEDHN N#Cc1ccc(OCCN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000595833122 400274730 /nfs/dbraw/zinc/27/47/30/400274730.db2.gz RVVLYPGYXKDLGT-LJQANCHMSA-N 0 3 308.381 3.090 20 30 DGEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610586962 400280124 /nfs/dbraw/zinc/28/01/24/400280124.db2.gz GAVDMLFGVRGINM-CYBMUJFWSA-N 0 3 320.824 3.208 20 30 DGEDHN C=CCN1CCC(Nc2cc(CC)nc(-c3ccncc3)n2)CC1 ZINC000068702540 400280767 /nfs/dbraw/zinc/28/07/67/400280767.db2.gz NVCSAUQVSLZVJM-UHFFFAOYSA-N 0 3 323.444 3.163 20 30 DGEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F ZINC000601300854 400286100 /nfs/dbraw/zinc/28/61/00/400286100.db2.gz KMYBGEBAUWECRF-IIMNLJJBSA-N 0 3 318.314 3.296 20 30 DGEDHN N#Cc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1F ZINC000610719320 400296242 /nfs/dbraw/zinc/29/62/42/400296242.db2.gz JKMVNGKBQYGVKJ-HDICACEKSA-N 0 3 321.399 3.266 20 30 DGEDHN N#Cc1cccc(OCCN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000102846130 400304119 /nfs/dbraw/zinc/30/41/19/400304119.db2.gz CWFVUUGDAMXAJB-GOSISDBHSA-N 0 3 307.397 3.123 20 30 DGEDHN Cc1nsc(N2CCN(C[C@H](C)C(C)(C)C)CC2)c1C#N ZINC000589520778 400304286 /nfs/dbraw/zinc/30/42/86/400304286.db2.gz WQODTMGXAUMHEZ-LBPRGKRZSA-N 0 3 306.479 3.127 20 30 DGEDHN CC[C@@H]1CCCCN1CCNc1nc2ncccc2cc1C#N ZINC000596125477 400324447 /nfs/dbraw/zinc/32/44/47/400324447.db2.gz CIXTYCHURYXRRR-MRXNPFEDSA-N 0 3 309.417 3.178 20 30 DGEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)C(C)(C)CO1 ZINC000610786452 400305928 /nfs/dbraw/zinc/30/59/28/400305928.db2.gz OLYRIECDWYPKCJ-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN CSc1ccc([C@@H](CNC[C@@H](C#N)CCC#N)N(C)C)cc1 ZINC000578064530 400324876 /nfs/dbraw/zinc/32/48/76/400324876.db2.gz JEVHJCOSRBYCMX-RHSMWYFYSA-N 0 3 316.474 3.044 20 30 DGEDHN C=C(C)CN(CC)C(=O)NCCCN(C)Cc1ccccc1 ZINC000072482352 400381074 /nfs/dbraw/zinc/38/10/74/400381074.db2.gz GXNNNSJVZUDSEJ-UHFFFAOYSA-N 0 3 303.450 3.116 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccc(C#N)c1 ZINC000611387567 400389763 /nfs/dbraw/zinc/38/97/63/400389763.db2.gz PZJIZJFLKPKJIQ-GFCCVEGCSA-N 0 3 324.409 3.171 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC(c2ccccc2)C1 ZINC000601699092 400334495 /nfs/dbraw/zinc/33/44/95/400334495.db2.gz BGBPSAZYHSJZCA-SFHVURJKSA-N 0 3 304.393 3.385 20 30 DGEDHN CCN(Cc1ccnc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000610992843 400334766 /nfs/dbraw/zinc/33/47/66/400334766.db2.gz NCVZAPSKOXAVMN-HNNXBMFYSA-N 0 3 309.413 3.415 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1c2ccccc2C[C@@H]1O ZINC000611391528 400391167 /nfs/dbraw/zinc/39/11/67/400391167.db2.gz MDOHMCFADYFNBW-SLFFLAALSA-N 0 3 304.393 3.184 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](CN)c1ccccc1 ZINC000579245330 400336666 /nfs/dbraw/zinc/33/66/66/400336666.db2.gz IUROOSMHEBTJHB-GOSISDBHSA-N 0 3 300.446 3.324 20 30 DGEDHN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(CCC#N)CC1 ZINC000579588095 400340581 /nfs/dbraw/zinc/34/05/81/400340581.db2.gz WPDUSHVKVDZLIG-HRCADAONSA-N 0 3 305.466 3.180 20 30 DGEDHN CNC(=O)c1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611391632 400391641 /nfs/dbraw/zinc/39/16/41/400391641.db2.gz KIEDEQYNEAUCGM-LJQANCHMSA-N 0 3 319.408 3.085 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3coc4ccccc34)C2)nc1 ZINC000590051958 400350398 /nfs/dbraw/zinc/35/03/98/400350398.db2.gz BHZDCRFQTMELPP-INIZCTEOSA-N 0 3 319.364 3.353 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1c2ccccc2C[C@H]1O ZINC000611393801 400392561 /nfs/dbraw/zinc/39/25/61/400392561.db2.gz MDOHMCFADYFNBW-XUVXKRRUSA-N 0 3 304.393 3.184 20 30 DGEDHN COc1ccc(COCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000611396084 400392666 /nfs/dbraw/zinc/39/26/66/400392666.db2.gz KSIVPRODBDREHJ-UHFFFAOYSA-N 0 3 322.408 3.362 20 30 DGEDHN CC(C)N1CCCC[C@@H]1CN(C#N)c1ccc(F)c(C#N)c1 ZINC000596259804 400363334 /nfs/dbraw/zinc/36/33/34/400363334.db2.gz AAVVXGMBMKWCFR-MRXNPFEDSA-N 0 3 300.381 3.248 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1ncc(Br)cc1C#N ZINC000596309868 400376746 /nfs/dbraw/zinc/37/67/46/400376746.db2.gz YWHMZOVWEYALEV-GFCCVEGCSA-N 0 3 323.238 3.000 20 30 DGEDHN Cc1cc(C#N)cc(NCc2ccc(OCCN(C)C)cc2)c1 ZINC000590663238 400413050 /nfs/dbraw/zinc/41/30/50/400413050.db2.gz JXCKMLNMQOZQFJ-UHFFFAOYSA-N 0 3 309.413 3.419 20 30 DGEDHN COc1cccc([C@H](C)N2CCN(C[C@H](C)CCC#N)CC2)c1 ZINC000590592920 400399800 /nfs/dbraw/zinc/39/98/00/400399800.db2.gz CSIQATBFDYULMG-SJORKVTESA-N 0 3 315.461 3.314 20 30 DGEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000611438269 400400926 /nfs/dbraw/zinc/40/09/26/400400926.db2.gz AUKDDZYFDDODRW-GFCCVEGCSA-N 0 3 312.369 3.132 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(OC(F)F)c2)nc(C)n1 ZINC000041574241 400409537 /nfs/dbraw/zinc/40/95/37/400409537.db2.gz FUDMIXJBDWAQHS-CYBMUJFWSA-N 0 3 317.295 3.185 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3nccc3C)cc2)n1 ZINC000041518636 400409765 /nfs/dbraw/zinc/40/97/65/400409765.db2.gz NQMNXMPBYSLOHW-HNNXBMFYSA-N 0 3 322.393 3.436 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc3cnccc32)CC1 ZINC000073080344 400429933 /nfs/dbraw/zinc/42/99/33/400429933.db2.gz CVDPXIBAIMRHFA-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN COc1ccc2c(c1)C[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CO2 ZINC000590778464 400433085 /nfs/dbraw/zinc/43/30/85/400433085.db2.gz JKWURYRTBKWIFF-QFBILLFUSA-N 0 3 320.392 3.147 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000611669953 400435179 /nfs/dbraw/zinc/43/51/79/400435179.db2.gz KFIBXDDJVBMMEZ-SFHVURJKSA-N 0 3 315.461 3.235 20 30 DGEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CCSCC2)CC1 ZINC000602424862 400458598 /nfs/dbraw/zinc/45/85/98/400458598.db2.gz MNTRBPNKRIEMBU-GOSISDBHSA-N 0 3 315.486 3.012 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000602429152 400459366 /nfs/dbraw/zinc/45/93/66/400459366.db2.gz MPXPCWJBHLOBDO-INIZCTEOSA-N 0 3 301.434 3.256 20 30 DGEDHN CSC1c2cc(-c3noc([C@H](C)CC#N)n3)ccc2NC1=O ZINC000596585125 400451042 /nfs/dbraw/zinc/45/10/42/400451042.db2.gz ZISSBDKSFRJJKH-PRHODGIISA-N 0 3 314.370 3.110 20 30 DGEDHN CC(C)CCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000044898513 400505901 /nfs/dbraw/zinc/50/59/01/400505901.db2.gz SSZLNXOYWYSLHZ-UHFFFAOYSA-N 0 3 305.466 3.182 20 30 DGEDHN COc1ccc(C)cc1CN1CCN(C[C@H](C)CCC#N)CC1 ZINC000602435633 400461404 /nfs/dbraw/zinc/46/14/04/400461404.db2.gz JKBDROOKBIKYLO-QGZVFWFLSA-N 0 3 315.461 3.061 20 30 DGEDHN CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(CC)C1 ZINC000596641474 400468848 /nfs/dbraw/zinc/46/88/48/400468848.db2.gz WDJQVLJJXBSBGM-CQSZACIVSA-N 0 3 320.824 3.160 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC)c1ccc(OC)cc1 ZINC000124155100 400474124 /nfs/dbraw/zinc/47/41/24/400474124.db2.gz YHYZEKRPNJJOGD-QGZVFWFLSA-N 0 3 304.434 3.161 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@@H](C)CCC#N ZINC000602494525 400479011 /nfs/dbraw/zinc/47/90/11/400479011.db2.gz POIPSEKYEHIJDK-HNNXBMFYSA-N 0 3 300.450 3.099 20 30 DGEDHN Cc1cc(CNCCSCc2ccccc2C#N)sn1 ZINC000602502104 400481621 /nfs/dbraw/zinc/48/16/21/400481621.db2.gz IIGUMHCVAAMTQG-UHFFFAOYSA-N 0 3 303.456 3.346 20 30 DGEDHN CCN(CC)[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602503049 400481930 /nfs/dbraw/zinc/48/19/30/400481930.db2.gz KKOCQQBDRPNMQY-LJQANCHMSA-N 0 3 308.429 3.126 20 30 DGEDHN COCc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602513662 400485079 /nfs/dbraw/zinc/48/50/79/400485079.db2.gz ZGJUBGGLFBEAFD-HNNXBMFYSA-N 0 3 302.418 3.022 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1 ZINC000591088342 400485693 /nfs/dbraw/zinc/48/56/93/400485693.db2.gz TWUXQXLUDJPLOL-QRVBRYPASA-N 0 3 321.424 3.183 20 30 DGEDHN CO[C@H](CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602518498 400485847 /nfs/dbraw/zinc/48/58/47/400485847.db2.gz OWIBKJQOSLECHV-NVXWUHKLSA-N 0 3 302.418 3.063 20 30 DGEDHN C=CC[C@H](C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602550577 400493958 /nfs/dbraw/zinc/49/39/58/400493958.db2.gz LASYBBJWODPKAJ-ZETCQYMHSA-N 0 3 305.197 3.473 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617975757 400495723 /nfs/dbraw/zinc/49/57/23/400495723.db2.gz CNRGKNAFTINDDV-LJQANCHMSA-N 0 3 315.461 3.012 20 30 DGEDHN CCC[C@@H]1CN(CC2(CC#N)CC2)CCN1CC1(CC#N)CC1 ZINC000602791771 400574826 /nfs/dbraw/zinc/57/48/26/400574826.db2.gz CZPRMCIZQNNEAV-QGZVFWFLSA-N 0 3 314.477 3.160 20 30 DGEDHN CCO[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602637637 400520154 /nfs/dbraw/zinc/52/01/54/400520154.db2.gz NMDJYULNZSGKKR-WMZOPIPTSA-N 0 3 316.445 3.453 20 30 DGEDHN COc1ccccc1COC1CCN(CC2(CC#N)CC2)CC1 ZINC000602797818 400577939 /nfs/dbraw/zinc/57/79/39/400577939.db2.gz LZIZDTKGWJYYFR-UHFFFAOYSA-N 0 3 314.429 3.370 20 30 DGEDHN C[C@@H](CNC(=O)CC1(C#N)CCCCC1)N1CCC(C)CC1 ZINC000596969136 400530363 /nfs/dbraw/zinc/53/03/63/400530363.db2.gz CIJVQKCLABRKBD-INIZCTEOSA-N 0 3 305.466 3.087 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596979966 400533166 /nfs/dbraw/zinc/53/31/66/400533166.db2.gz QSNLGOKYTSHVMO-FQEVSTJZSA-N 0 3 322.408 3.358 20 30 DGEDHN Cc1cc(CN2CC[C@@H](OCc3ccccn3)C2)ccc1C#N ZINC000602716042 400549413 /nfs/dbraw/zinc/54/94/13/400549413.db2.gz QTDFZWDILQKRBP-LJQANCHMSA-N 0 3 307.397 3.053 20 30 DGEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1O ZINC000597075087 400552185 /nfs/dbraw/zinc/55/21/85/400552185.db2.gz ULUQXFWHSFXHJQ-ROUUACIJSA-N 0 3 312.457 3.471 20 30 DGEDHN Cn1cc(CN2CCC(C)(F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000602741099 400560196 /nfs/dbraw/zinc/56/01/96/400560196.db2.gz IWKBYIZXUHSXBZ-UHFFFAOYSA-N 0 3 312.392 3.283 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000046345437 400561155 /nfs/dbraw/zinc/56/11/55/400561155.db2.gz MLYZKVCRMTYGBB-YOEHRIQHSA-N 0 3 309.837 3.453 20 30 DGEDHN N#Cc1c2c(cnc1N[C@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000591817505 400561935 /nfs/dbraw/zinc/56/19/35/400561935.db2.gz QXNCGZURFVEGDF-KRWDZBQOSA-N 0 3 318.424 3.128 20 30 DGEDHN N#CC1(CC(=O)N2CCC[C@@H]2CN2CCCCC2)CCCCC1 ZINC000597117821 400562274 /nfs/dbraw/zinc/56/22/74/400562274.db2.gz XHMLJXAAMGQDCO-QGZVFWFLSA-N 0 3 317.477 3.327 20 30 DGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H](CO)c1ccccc1 ZINC000597137402 400567845 /nfs/dbraw/zinc/56/78/45/400567845.db2.gz QZAJOEKTAKKUJV-LJQANCHMSA-N 0 3 306.409 3.407 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@@H]1Oc1ccccc1 ZINC000618609243 400642112 /nfs/dbraw/zinc/64/21/12/400642112.db2.gz ZTEVHKSZZCUGMB-FDMITFGQSA-N 0 3 314.429 3.283 20 30 DGEDHN N#Cc1ccc(NC[C@H]2CCCN(Cc3cccs3)C2)nc1 ZINC000142822091 400632176 /nfs/dbraw/zinc/63/21/76/400632176.db2.gz GQJYFBWYIMBHPU-OAHLLOKOSA-N 0 3 312.442 3.339 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCCC[C@@H]1C ZINC000076188744 400643276 /nfs/dbraw/zinc/64/32/76/400643276.db2.gz VLBVODRIPOAJMM-GJZGRUSLSA-N 0 3 314.433 3.137 20 30 DGEDHN Cc1ccc([C@H](C)N(C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000047959763 400636071 /nfs/dbraw/zinc/63/60/71/400636071.db2.gz LQXWYJLDWBENRY-LPHOPBHVSA-N 0 3 324.424 3.299 20 30 DGEDHN CC[C@@H](C)N1CCN(c2c(C#N)cnc3ccc(OC)cc32)CC1 ZINC000591947259 400585727 /nfs/dbraw/zinc/58/57/27/400585727.db2.gz JKEOCHMWXDRRBK-CQSZACIVSA-N 0 3 324.428 3.036 20 30 DGEDHN COc1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1C#N ZINC000597226730 400593167 /nfs/dbraw/zinc/59/31/67/400593167.db2.gz XGOQGAZHLKBTMQ-ROUUACIJSA-N 0 3 314.429 3.348 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2SCC)CC1 ZINC000592069537 400601724 /nfs/dbraw/zinc/60/17/24/400601724.db2.gz ZHADLBOZGOXJIN-UHFFFAOYSA-N 0 3 304.459 3.179 20 30 DGEDHN CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1 ZINC000597662104 400657434 /nfs/dbraw/zinc/65/74/34/400657434.db2.gz YACBOYJDYBDBJX-QAPCUYQASA-N 0 3 315.461 3.154 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C2CCCCC2)CC1 ZINC000592517845 400662405 /nfs/dbraw/zinc/66/24/05/400662405.db2.gz DXYJDLWUJKZOCI-KRWDZBQOSA-N 0 3 307.482 3.295 20 30 DGEDHN CN(c1ccccc1)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592524687 400663370 /nfs/dbraw/zinc/66/33/70/400663370.db2.gz ZBPJLQSIZCJDQJ-HXUWFJFHSA-N 0 3 321.424 3.305 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC)Cc2cccc(F)c2)CC1 ZINC000592526817 400665447 /nfs/dbraw/zinc/66/54/47/400665447.db2.gz CTUAOELLHJFFFY-UHFFFAOYSA-N 0 3 319.424 3.008 20 30 DGEDHN Cc1ccn(-c2ccc(C(=O)C(C#N)c3nc(C)cs3)cc2)n1 ZINC000048788866 400660940 /nfs/dbraw/zinc/66/09/40/400660940.db2.gz YGVSORBRUZZGLH-OAHLLOKOSA-N 0 3 322.393 3.436 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)OCCO2 ZINC000618742922 400680179 /nfs/dbraw/zinc/68/01/79/400680179.db2.gz SYHHOQHKPCYNHK-QGZVFWFLSA-N 0 3 306.365 3.107 20 30 DGEDHN N#Cc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)n1 ZINC000592660262 400680952 /nfs/dbraw/zinc/68/09/52/400680952.db2.gz BFZGYMZTVKLIDF-UHFFFAOYSA-N 0 3 320.396 3.191 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000613255722 400683440 /nfs/dbraw/zinc/68/34/40/400683440.db2.gz BZBKSQAJNLDHOI-UGFHNGPFSA-N 0 3 312.335 3.411 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152833756 400684165 /nfs/dbraw/zinc/68/41/65/400684165.db2.gz HGKUZCCAUZAGFV-FPMFFAJLSA-N 0 3 317.820 3.271 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000161832504 400742839 /nfs/dbraw/zinc/74/28/39/400742839.db2.gz DCQFAKQZAPINEB-HNNXBMFYSA-N 0 3 300.402 3.114 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618804243 400692923 /nfs/dbraw/zinc/69/29/23/400692923.db2.gz KLUKOOJJYYDYOD-QUCCMNQESA-N 0 3 306.409 3.393 20 30 DGEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000597921412 400698321 /nfs/dbraw/zinc/69/83/21/400698321.db2.gz FCBNPQCZBYDIGJ-INIZCTEOSA-N 0 3 313.445 3.090 20 30 DGEDHN CC[C@@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000597922625 400698636 /nfs/dbraw/zinc/69/86/36/400698636.db2.gz JMWYZLZHVLGQIB-ROUUACIJSA-N 0 3 314.429 3.080 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000592879441 400712740 /nfs/dbraw/zinc/71/27/40/400712740.db2.gz LVKAJMXWZCOZHA-MADCSZMMSA-N 0 3 313.254 3.186 20 30 DGEDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC[C@@H]1C ZINC000052101394 400717728 /nfs/dbraw/zinc/71/77/28/400717728.db2.gz UBAKKWQGPYDLBB-STQMWFEESA-N 0 3 302.378 3.141 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC000598401878 400804518 /nfs/dbraw/zinc/80/45/18/400804518.db2.gz YFLVZIDYUBLKFM-OALUTQOASA-N 0 3 321.424 3.279 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604920752 400815158 /nfs/dbraw/zinc/81/51/58/400815158.db2.gz IUBSPJOTIXUFHN-AEFFLSMTSA-N 0 3 315.461 3.477 20 30 DGEDHN C[C@H](NC1(C2CCC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000593079308 400756112 /nfs/dbraw/zinc/75/61/12/400756112.db2.gz FRFRMZXNIBNUFH-HNNXBMFYSA-N 0 3 311.429 3.244 20 30 DGEDHN CCN(CCOc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000053133570 400766453 /nfs/dbraw/zinc/76/64/53/400766453.db2.gz CQQLFJPEAJYNTP-UHFFFAOYSA-N 0 3 324.380 3.188 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(OCc3ccccn3)c2)C1 ZINC000613660884 400771549 /nfs/dbraw/zinc/77/15/49/400771549.db2.gz BKUDBXVHKPKWCY-NVXWUHKLSA-N 0 3 307.397 3.442 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000053349803 400776346 /nfs/dbraw/zinc/77/63/46/400776346.db2.gz PMBRYFDHGVTBLD-UHFFFAOYSA-N 0 3 324.424 3.113 20 30 DGEDHN N#CC1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CCCCC1 ZINC000598313537 400781628 /nfs/dbraw/zinc/78/16/28/400781628.db2.gz MRJRJAOPBXVHBE-QGZVFWFLSA-N 0 3 317.477 3.374 20 30 DGEDHN Cc1nnc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c(C#N)c1C ZINC000053580411 400791823 /nfs/dbraw/zinc/79/18/23/400791823.db2.gz DPHGOONMIHMMGA-RDJZCZTQSA-N 0 3 321.428 3.213 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ccon2)CC1 ZINC000598398100 400802535 /nfs/dbraw/zinc/80/25/35/400802535.db2.gz FEVVLLUTWILLRQ-QGZVFWFLSA-N 0 3 323.396 3.153 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3occc3s2)CC1 ZINC000605511076 400870540 /nfs/dbraw/zinc/87/05/40/400870540.db2.gz UCQHAYIPYRDSAP-UHFFFAOYSA-N 0 3 304.415 3.265 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1 ZINC000055472717 400871121 /nfs/dbraw/zinc/87/11/21/400871121.db2.gz HCEASZJNRXZLBM-UHFFFAOYSA-N 0 3 310.397 3.500 20 30 DGEDHN Cc1ccsc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000054426869 400824588 /nfs/dbraw/zinc/82/45/88/400824588.db2.gz RDYWNWSETKVVDP-UHFFFAOYSA-N 0 3 313.426 3.389 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000598584685 400835843 /nfs/dbraw/zinc/83/58/43/400835843.db2.gz RVZOAFHOWZQDFH-QGZVFWFLSA-N 0 3 302.393 3.216 20 30 DGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)CC(C)(C)C#N ZINC000598586785 400837346 /nfs/dbraw/zinc/83/73/46/400837346.db2.gz ZRIAYGAXUFSNJP-CQSZACIVSA-N 0 3 314.351 3.438 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000598586515 400837419 /nfs/dbraw/zinc/83/74/19/400837419.db2.gz HQEHVVZQYFFPAX-CABCVRRESA-N 0 3 322.474 3.030 20 30 DGEDHN Cc1nc([C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)sc1C ZINC000598588649 400837490 /nfs/dbraw/zinc/83/74/90/400837490.db2.gz ANCUFEBXKNKFFA-CABCVRRESA-N 0 3 321.490 3.240 20 30 DGEDHN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000593417048 400842807 /nfs/dbraw/zinc/84/28/07/400842807.db2.gz JDVCPHCFNVXALN-WMZOPIPTSA-N 0 3 313.445 3.126 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000598612204 400843140 /nfs/dbraw/zinc/84/31/40/400843140.db2.gz SQTCYQDNVSEKDI-AEFFLSMTSA-N 0 3 304.409 3.090 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000598614710 400844063 /nfs/dbraw/zinc/84/40/63/400844063.db2.gz RVRMUOKSYXHIRT-INIZCTEOSA-N 0 3 304.409 3.248 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000598622689 400845882 /nfs/dbraw/zinc/84/58/82/400845882.db2.gz MWFYIBDPGNMBBR-AEFFLSMTSA-N 0 3 304.409 3.090 20 30 DGEDHN CC(=O)N1CC[C@@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000598679759 400856481 /nfs/dbraw/zinc/85/64/81/400856481.db2.gz MJSWRNOMQBWHIS-LJQANCHMSA-N 0 3 319.408 3.340 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1nc2cc(Cl)ccc2s1 ZINC000598702675 400861009 /nfs/dbraw/zinc/86/10/09/400861009.db2.gz XJPKHPQFPFYIAX-NSHDSACASA-N 0 3 323.849 3.340 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNC[C@H](c1ccccc1)C(F)(F)F ZINC000598725645 400866761 /nfs/dbraw/zinc/86/67/61/400866761.db2.gz YHXOYQOLNNZKDB-ZIAGYGMSSA-N 0 3 314.351 3.223 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)CC)CC1 ZINC000606681906 400946051 /nfs/dbraw/zinc/94/60/51/400946051.db2.gz ADVYJVBYZCTCFP-WBVHZDCISA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCCC[C@@H](C)N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000182344360 400892431 /nfs/dbraw/zinc/89/24/31/400892431.db2.gz OKJGYWUGGPRNHW-CXAGYDPISA-N 0 3 304.409 3.480 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000614397625 400892625 /nfs/dbraw/zinc/89/26/25/400892625.db2.gz JWXPYEUPPKJUFS-SFHVURJKSA-N 0 3 306.413 3.345 20 30 DGEDHN Cc1ccoc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693154 400893423 /nfs/dbraw/zinc/89/34/23/400893423.db2.gz QYPSTZYFTXQDRE-UHFFFAOYSA-N 0 3 309.413 3.214 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1cccc(Cl)c1 ZINC000182590631 400894499 /nfs/dbraw/zinc/89/44/99/400894499.db2.gz DAYNXXKPVCMJFI-XJKSGUPXSA-N 0 3 321.852 3.389 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)C1(C(=O)OC)CCC1 ZINC000619754962 400899340 /nfs/dbraw/zinc/89/93/40/400899340.db2.gz PMQXMOHHLFKZCZ-HNNXBMFYSA-N 0 3 320.820 3.423 20 30 DGEDHN CC[C@H](C#N)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593749102 400904284 /nfs/dbraw/zinc/90/42/84/400904284.db2.gz PUMNGEOXKJSOAC-MSOLQXFVSA-N 0 3 313.445 3.048 20 30 DGEDHN CC[C@@H](C#N)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593749105 400904323 /nfs/dbraw/zinc/90/43/23/400904323.db2.gz PUMNGEOXKJSOAC-ZWKOTPCHSA-N 0 3 313.445 3.048 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185656515 400905793 /nfs/dbraw/zinc/90/57/93/400905793.db2.gz CNGLHGPJXRAXKN-GWCFXTLKSA-N 0 3 319.371 3.040 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000598892031 400906760 /nfs/dbraw/zinc/90/67/60/400906760.db2.gz AGAOBTKTCWMNCQ-FHWLQOOXSA-N 0 3 321.424 3.422 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H](CC)CO1 ZINC000593790694 400911177 /nfs/dbraw/zinc/91/11/77/400911177.db2.gz ISYVXSFRSVJRIA-OKZBNKHCSA-N 0 3 314.429 3.175 20 30 DGEDHN C[C@@H](N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(C)CC1 ZINC000192617656 400915761 /nfs/dbraw/zinc/91/57/61/400915761.db2.gz BENUIJJCVCRTLQ-RHSMWYFYSA-N 0 3 311.429 3.174 20 30 DGEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000194014505 400919624 /nfs/dbraw/zinc/91/96/24/400919624.db2.gz LXULDYGABWEHEM-WMZOPIPTSA-N 0 3 301.434 3.090 20 30 DGEDHN C[C@H](NC[C@H]1CN(c2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000593971040 400931232 /nfs/dbraw/zinc/93/12/32/400931232.db2.gz CYMZOAFBKQDJPC-JXFKEZNVSA-N 0 3 321.424 3.114 20 30 DGEDHN C[C@H]1C[C@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000080230869 400933046 /nfs/dbraw/zinc/93/30/46/400933046.db2.gz WJRJMCXJGBMFDA-MAUKXSAKSA-N 0 3 306.413 3.418 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000606923196 400983958 /nfs/dbraw/zinc/98/39/58/400983958.db2.gz IOADYNZJLGESIE-IRXDYDNUSA-N 0 3 309.498 3.495 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2scc(C)c2C#N)CC1 ZINC000594104214 400987799 /nfs/dbraw/zinc/98/77/99/400987799.db2.gz YHDZAPFMZPTBTD-UHFFFAOYSA-N 0 3 320.462 3.266 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594124466 400996141 /nfs/dbraw/zinc/99/61/41/400996141.db2.gz WHFOXQIVKVRJCE-IRXDYDNUSA-N 0 3 312.417 3.005 20 30 DGEDHN Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1C#N ZINC000599268986 401004816 /nfs/dbraw/zinc/00/48/16/401004816.db2.gz LNUXUOOWYJKLKV-WOJBJXKFSA-N 0 3 317.436 3.435 20 30 DGEDHN Cc1ccc(CN2CCC(OCCOC(C)C)CC2)cc1C#N ZINC000599434792 401049717 /nfs/dbraw/zinc/04/97/17/401049717.db2.gz IEOYLLLGTSWLGD-UHFFFAOYSA-N 0 3 316.445 3.273 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000594424473 401061646 /nfs/dbraw/zinc/06/16/46/401061646.db2.gz FBAFUNISJAYVIM-SNVBAGLBSA-N 0 3 320.443 3.221 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512269 401062902 /nfs/dbraw/zinc/06/29/02/401062902.db2.gz HIFROUJQBYSMGV-STQMWFEESA-N 0 3 324.371 3.169 20 30 DGEDHN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594430118 401065838 /nfs/dbraw/zinc/06/58/38/401065838.db2.gz WBUJGXLPVUDTGF-GFCCVEGCSA-N 0 3 313.323 3.364 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000594429532 401066653 /nfs/dbraw/zinc/06/66/53/401066653.db2.gz RCAZEWVUUVWJSS-NSHDSACASA-N 0 3 317.286 3.194 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCCC(F)(F)CC2)c1 ZINC000599552689 401074804 /nfs/dbraw/zinc/07/48/04/401074804.db2.gz MGHVPYOFFQOELI-UHFFFAOYSA-N 0 3 307.344 3.008 20 30 DGEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F ZINC000599349553 401029730 /nfs/dbraw/zinc/02/97/30/401029730.db2.gz JRAIRVYIZOSIDC-GXTWGEPZSA-N 0 3 324.371 3.383 20 30 DGEDHN C=C(C)[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599367921 401035395 /nfs/dbraw/zinc/03/53/95/401035395.db2.gz OONOITAGFHFNPD-CZUORRHYSA-N 0 3 306.356 3.226 20 30 DGEDHN Cc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1C#N ZINC000599396466 401041186 /nfs/dbraw/zinc/04/11/86/401041186.db2.gz AQNQIRYSDWAAQS-FQEVSTJZSA-N 0 3 306.409 3.180 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1ccco1)C(C)C ZINC000607650062 401101241 /nfs/dbraw/zinc/10/12/41/401101241.db2.gz GIVVHUQZUPAWHE-HZPDHXFCSA-N 0 3 304.434 3.198 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@@H]2CCC[C@@H]21 ZINC000599655185 401104600 /nfs/dbraw/zinc/10/46/00/401104600.db2.gz OOGVQKFLUKVMMA-KZNAEPCWSA-N 0 3 312.413 3.030 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H]2CCCC[C@@]21C ZINC000599674801 401110659 /nfs/dbraw/zinc/11/06/59/401110659.db2.gz IRNRNOJFISRCCE-YJBOKZPZSA-N 0 3 300.402 3.210 20 30 DGEDHN N#CCc1cccc2c1CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000599677612 401110762 /nfs/dbraw/zinc/11/07/62/401110762.db2.gz ANMKWXOKKZWGDW-UHFFFAOYSA-N 0 3 321.380 3.262 20 30 DGEDHN Cc1cnn(CCCCCN2CCc3c(CC#N)cccc3C2)c1 ZINC000599678620 401113228 /nfs/dbraw/zinc/11/32/28/401113228.db2.gz JVMVARPLTXFEJP-UHFFFAOYSA-N 0 3 322.456 3.486 20 30 DGEDHN CCC(C)(C)N1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000594594202 401121087 /nfs/dbraw/zinc/12/10/87/401121087.db2.gz LNLXRJWYKKVIHK-UHFFFAOYSA-N 0 3 306.841 3.226 20 30 DGEDHN Cc1c(Cl)cnc(N[C@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594596974 401122169 /nfs/dbraw/zinc/12/21/69/401122169.db2.gz BRCVPFCCJSBFOF-LSDHHAIUSA-N 0 3 304.825 3.344 20 30 DGEDHN Cc1nn(-c2ccccc2F)cc1CNCC(C)(C)CC#N ZINC000594507736 401086100 /nfs/dbraw/zinc/08/61/00/401086100.db2.gz QRLAMHILUFXBSH-UHFFFAOYSA-N 0 3 300.381 3.349 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000594516291 401092290 /nfs/dbraw/zinc/09/22/90/401092290.db2.gz XPBJHGRVMTUPMX-RYUDHWBXSA-N 0 3 306.381 3.326 20 30 DGEDHN Cc1cccc([C@H](N[C@@H](C)C(=O)N(C)CCC#N)C(C)C)c1 ZINC000599627416 401095209 /nfs/dbraw/zinc/09/52/09/401095209.db2.gz MITWBJXZTXITRK-DOTOQJQBSA-N 0 3 301.434 3.042 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1cc(C)ccc1C ZINC000599640658 401099933 /nfs/dbraw/zinc/09/99/33/401099933.db2.gz LXYNPHNFYFVMMN-NVXWUHKLSA-N 0 3 301.434 3.105 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)CC1CCC1 ZINC000065161467 401257882 /nfs/dbraw/zinc/25/78/82/401257882.db2.gz LNOGEYFRDQGHQC-UHFFFAOYSA-N 0 3 312.457 3.489 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)CC)cc2)CC1 ZINC000626737014 401407292 /nfs/dbraw/zinc/40/72/92/401407292.db2.gz QBCYNPZQKHRNIA-UHFFFAOYSA-N 0 3 315.417 3.051 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCC[C@H](O)CC)cc1OC ZINC000623450927 401522311 /nfs/dbraw/zinc/52/23/11/401522311.db2.gz CULVPWLTXBUDBT-CYBMUJFWSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCC(C)(C)CO)cc1OC ZINC000623467696 401524686 /nfs/dbraw/zinc/52/46/86/401524686.db2.gz TZVMXHTWILBLQY-UHFFFAOYSA-N 0 3 313.825 3.022 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)CC[C@H](C)O)cc1OC ZINC000628178680 401542914 /nfs/dbraw/zinc/54/29/14/401542914.db2.gz XWKFIOCNBHNCEY-LBPRGKRZSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633376121 401678302 /nfs/dbraw/zinc/67/83/02/401678302.db2.gz VLGCEQUALFNOLI-UHFFFAOYSA-N 0 3 302.418 3.464 20 30 DGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CC(C)(C)C#N ZINC000278592054 292355150 /nfs/dbraw/zinc/35/51/50/292355150.db2.gz UEKQJZVGYKTRGL-DOTOQJQBSA-N 0 3 311.429 3.069 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN1CCN(C2CCCC2)CC1 ZINC000186623905 165051967 /nfs/dbraw/zinc/05/19/67/165051967.db2.gz DUJIFOQRWNYRHI-UHFFFAOYSA-N 0 3 303.837 3.272 20 30 DGEDHN Cn1cc(CNCCc2coc(-c3ccc(F)cc3)n2)cc1C#N ZINC000190962694 165222086 /nfs/dbraw/zinc/22/20/86/165222086.db2.gz WHHCXLFEJSUQJO-UHFFFAOYSA-N 0 3 324.359 3.023 20 30 DGEDHN N#Cc1cccc(OCCN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192365103 165290892 /nfs/dbraw/zinc/29/08/92/165290892.db2.gz DNLKDBRKVHTMPF-GOSISDBHSA-N 0 3 308.381 3.310 20 30 DGEDHN CN(C(=O)C1CCN(C2CC2)CC1)c1cc(Cl)ccc1C#N ZINC000192687258 165302630 /nfs/dbraw/zinc/30/26/30/165302630.db2.gz QSLWVMDONXUEHK-UHFFFAOYSA-N 0 3 317.820 3.049 20 30 DGEDHN N#Cc1cccnc1NC1CCN(CCc2ccccc2)CC1 ZINC000192808960 165306295 /nfs/dbraw/zinc/30/62/95/165306295.db2.gz PNZOZWSRCQZWQC-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000182133077 432159911 /nfs/dbraw/zinc/15/99/11/432159911.db2.gz POSAUGULIMSEMR-WMLDXEAASA-N 0 3 300.402 3.285 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc3scnc3c2)CC1 ZINC000171639406 432154760 /nfs/dbraw/zinc/15/47/60/432154760.db2.gz IEMHWDYAZGKYNX-UHFFFAOYSA-N 0 3 316.430 3.068 20 30 DGEDHN C=CCN1CCC(NC(=O)CC(C)(C)c2ccccc2)CC1 ZINC000171717406 432165177 /nfs/dbraw/zinc/16/51/77/432165177.db2.gz KYXHQWHSEVOXQT-UHFFFAOYSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000171721123 432165434 /nfs/dbraw/zinc/16/54/34/432165434.db2.gz PIMRTOOMTCKXJM-UHFFFAOYSA-N 0 3 312.335 3.086 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CCC)Cc2ccccc2)CC1 ZINC000171737379 432167206 /nfs/dbraw/zinc/16/72/06/432167206.db2.gz UPEKXKJRGSANJR-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000171739476 432167215 /nfs/dbraw/zinc/16/72/15/432167215.db2.gz UOQRWXCHMGUORU-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C=CCCC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190800376 432191153 /nfs/dbraw/zinc/19/11/53/432191153.db2.gz VJDRUIDYZWDDNX-UHFFFAOYSA-N 0 3 315.461 3.430 20 30 DGEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000130588913 196093144 /nfs/dbraw/zinc/09/31/44/196093144.db2.gz NSZAMABAJQCJOY-QGZVFWFLSA-N 0 3 310.401 3.114 20 30 DGEDHN COc1ccc(CN(C)[C@@H](CCO)c2ccccc2)cc1C#N ZINC000269717688 432203026 /nfs/dbraw/zinc/20/30/26/432203026.db2.gz SNHMVNUKOWMPGG-SFHVURJKSA-N 0 3 310.397 3.122 20 30 DGEDHN COc1ccc(CN[C@H](C)C[C@@H](O)c2cccs2)cc1C#N ZINC000131032816 196134081 /nfs/dbraw/zinc/13/40/81/196134081.db2.gz GLLNTAHVEMYTIE-IUODEOHRSA-N 0 3 316.426 3.230 20 30 DGEDHN C[C@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 ZINC000128236021 227007613 /nfs/dbraw/zinc/00/76/13/227007613.db2.gz OKYBCHZNHLGYEA-GPJFCIFZSA-N 0 3 324.399 3.247 20 30 DGEDHN Cc1nnc(NC[C@H](c2ccccc2)N2CCCC2)c(C#N)c1C ZINC000298168272 228392207 /nfs/dbraw/zinc/39/22/07/228392207.db2.gz XXFXWMWLSOZEDP-GOSISDBHSA-N 0 3 321.428 3.214 20 30 DGEDHN C[C@@H]1CN(c2ccccc2CN2CCC(C)(C#N)CC2)CCO1 ZINC000297371252 228879291 /nfs/dbraw/zinc/87/92/91/228879291.db2.gz GMDLGECVBSUSNX-MRXNPFEDSA-N 0 3 313.445 3.037 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000299253368 229007967 /nfs/dbraw/zinc/00/79/67/229007967.db2.gz ZYWKAAVUJOBZKZ-QGZVFWFLSA-N 0 3 308.385 3.052 20 30 DGEDHN CC(C#N)C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC000336723848 229041244 /nfs/dbraw/zinc/04/12/44/229041244.db2.gz WPZVQENLXXROLG-OAHLLOKOSA-N 0 3 308.381 3.084 20 30 DGEDHN COCC1(C#N)CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC000342836628 229119060 /nfs/dbraw/zinc/11/90/60/229119060.db2.gz KRYPEFMKYYOWGB-UHFFFAOYSA-N 0 3 309.413 3.295 20 30 DGEDHN N#CCCOCCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000339050345 229073790 /nfs/dbraw/zinc/07/37/90/229073790.db2.gz CIHWSZCLUMMDCV-CYBMUJFWSA-N 0 3 317.364 3.077 20 30 DGEDHN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(CCCCC#N)C1 ZINC000343750852 229129379 /nfs/dbraw/zinc/12/93/79/229129379.db2.gz DQYILMLXTVCDCN-LBPRGKRZSA-N 0 3 314.355 3.312 20 30 DGEDHN N#CC(C(=O)c1cnc2c(F)ccc(F)c2c1)c1ccccn1 ZINC000344742911 229144161 /nfs/dbraw/zinc/14/41/61/229144161.db2.gz PSPPPQSVPHNIGF-GFCCVEGCSA-N 0 3 309.275 3.398 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000346276168 229167099 /nfs/dbraw/zinc/16/70/99/229167099.db2.gz KXWLCFGFDWXYNE-NSHDSACASA-N 0 3 310.319 3.403 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OCCC(C)C ZINC000347037142 229180487 /nfs/dbraw/zinc/18/04/87/229180487.db2.gz NLDBKOZBDHRTBP-ZIAGYGMSSA-N 0 3 318.417 3.457 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000347128493 229181897 /nfs/dbraw/zinc/18/18/97/229181897.db2.gz FZLPBSQOHJALNI-GFCCVEGCSA-N 0 3 304.353 3.006 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000347962151 229194092 /nfs/dbraw/zinc/19/40/92/229194092.db2.gz RTDIEKDUNDOHEG-INIZCTEOSA-N 0 3 323.783 3.210 20 30 DGEDHN Fc1cc(CNCCOC(F)(F)F)cc(C(F)(F)F)c1 ZINC000353228237 229273761 /nfs/dbraw/zinc/27/37/61/229273761.db2.gz CHDBGPUCRRWHJN-UHFFFAOYSA-N 0 3 305.193 3.471 20 30 DGEDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)cc1 ZINC000299709233 229350960 /nfs/dbraw/zinc/35/09/60/229350960.db2.gz QBNVGMQUYCURDJ-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN Cc1cccc(CCCNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000359130790 229371588 /nfs/dbraw/zinc/37/15/88/229371588.db2.gz HZXZMGBVCSAWCV-GOSISDBHSA-N 0 3 321.424 3.211 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc(C#N)cc1F ZINC000413166579 230143873 /nfs/dbraw/zinc/14/38/73/230143873.db2.gz GYMYKZHRFJXEGT-RDTXWAMCSA-N 0 3 324.403 3.415 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N(C)CCN(C)C1CC1 ZINC000302259012 230204173 /nfs/dbraw/zinc/20/41/73/230204173.db2.gz PAMYZTUKWAOQRA-UHFFFAOYSA-N 0 3 312.392 3.084 20 30 DGEDHN C[C@@H](CO)N(Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000347250071 264183392 /nfs/dbraw/zinc/18/33/92/264183392.db2.gz OZOJAJQGOQALCN-LBPRGKRZSA-N 0 3 324.371 3.285 20 30 DGEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000359538802 270004288 /nfs/dbraw/zinc/00/42/88/270004288.db2.gz HYVRQGKXBONJSD-BBRMVZONSA-N 0 3 311.385 3.010 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CO)CC(F)(F)F ZINC000360650530 270004532 /nfs/dbraw/zinc/00/45/32/270004532.db2.gz YEHGWQWDSSXJJH-ZFWWWQNUSA-N 0 3 312.335 3.229 20 30 DGEDHN N#Cc1csc(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000352810385 265177096 /nfs/dbraw/zinc/17/70/96/265177096.db2.gz MRRUYDCWNIJTBL-ONGXEEELSA-N 0 3 303.353 3.473 20 30 DGEDHN COc1ccc([C@@H](CCO)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353262987 265367441 /nfs/dbraw/zinc/36/74/41/265367441.db2.gz FMWDUNRCDWSDJG-WOJBJXKFSA-N 0 3 322.408 3.267 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCSCC(F)(F)F)CC2 ZINC000353265479 265368822 /nfs/dbraw/zinc/36/88/22/265368822.db2.gz YNJAUCBFYPDETR-ZDUSSCGKSA-N 0 3 300.349 3.431 20 30 DGEDHN C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000353825798 265563204 /nfs/dbraw/zinc/56/32/04/265563204.db2.gz OYVPQSFCRISAHY-RCDICMHDSA-N 0 3 312.438 3.288 20 30 DGEDHN CC(C)(C)[C@@H](CCO)NCc1ccc(C#N)cc1OC(F)F ZINC000355006927 265941280 /nfs/dbraw/zinc/94/12/80/265941280.db2.gz APDRFFQSJGTVLD-CQSZACIVSA-N 0 3 312.360 3.046 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355405487 266063954 /nfs/dbraw/zinc/06/39/54/266063954.db2.gz BAWUOWHLSOVPMB-IYBDPMFKSA-N 0 3 313.445 3.170 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)CCOc2cccc(C#N)c2)C1(C)C ZINC000354368899 266303328 /nfs/dbraw/zinc/30/33/28/266303328.db2.gz QHNHXXBUKHVRDI-IRXDYDNUSA-N 0 3 302.418 3.072 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000513187851 266894989 /nfs/dbraw/zinc/89/49/89/266894989.db2.gz ILXNYHACGPTSQE-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000371730676 267000412 /nfs/dbraw/zinc/00/04/12/267000412.db2.gz XWYZJXRPJAMNEG-YJBOKZPZSA-N 0 3 311.429 3.096 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2ccc(F)cc2C#N)C1 ZINC000374078502 267032343 /nfs/dbraw/zinc/03/23/43/267032343.db2.gz BNARVZRAICIWDJ-MAAHGYRXSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@H](C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000360175917 267132532 /nfs/dbraw/zinc/13/25/32/267132532.db2.gz PGKPQZXNRWZPIG-XHSDSOJGSA-N 0 3 313.445 3.041 20 30 DGEDHN C[C@H](C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000360175914 267132570 /nfs/dbraw/zinc/13/25/70/267132570.db2.gz PGKPQZXNRWZPIG-JYJNAYRXSA-N 0 3 313.445 3.041 20 30 DGEDHN C[C@H](C(=O)NCCN1[C@H](C)CCC[C@H]1C)c1cccc(C#N)c1 ZINC000360175915 267132703 /nfs/dbraw/zinc/13/27/03/267132703.db2.gz PGKPQZXNRWZPIG-OAGGEKHMSA-N 0 3 313.445 3.041 20 30 DGEDHN C[C@H](C(=O)NCc1ccc(CN(C)C)cc1)c1cccc(C#N)c1 ZINC000359844223 267133311 /nfs/dbraw/zinc/13/33/11/267133311.db2.gz OVGBDOZEFPBVFF-HNNXBMFYSA-N 0 3 321.424 3.040 20 30 DGEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000350714019 267158028 /nfs/dbraw/zinc/15/80/28/267158028.db2.gz NZLUGAXFGHCQGV-JHJVBQTASA-N 0 3 306.841 3.385 20 30 DGEDHN C[C@H](NCCn1cncn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374677648 267184220 /nfs/dbraw/zinc/18/42/20/267184220.db2.gz JIPKSIVBOFKNLE-HNNXBMFYSA-N 0 3 317.396 3.168 20 30 DGEDHN C[C@H]1[C@H](NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000404042966 267252967 /nfs/dbraw/zinc/25/29/67/267252967.db2.gz ICOUZMRAMFBPRN-MGPUTAFESA-N 0 3 323.415 3.450 20 30 DGEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cc1 ZINC000436721751 267282241 /nfs/dbraw/zinc/28/22/41/267282241.db2.gz HWSGMMHZROXEBP-SFHVURJKSA-N 0 3 319.408 3.081 20 30 DGEDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c(C#N)cn1 ZINC000399458385 267301287 /nfs/dbraw/zinc/30/12/87/267301287.db2.gz UJMSSHCQDQCWGY-DNVCBOLYSA-N 0 3 320.440 3.006 20 30 DGEDHN N#Cc1ccc(N2CCN(C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000348174553 268116732 /nfs/dbraw/zinc/11/67/32/268116732.db2.gz LQAUTTBQPLDONY-UHFFFAOYSA-N 0 3 309.335 3.252 20 30 DGEDHN N#Cc1ccc(OCCCN2CCC(OCC3CC3)CC2)cc1 ZINC000374121229 268173231 /nfs/dbraw/zinc/17/32/31/268173231.db2.gz MNQFNRVATZNHSJ-UHFFFAOYSA-N 0 3 314.429 3.218 20 30 DGEDHN N#Cc1cccc(CN2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000356449346 268247850 /nfs/dbraw/zinc/24/78/50/268247850.db2.gz VMBXRGSQCPHJNL-UHFFFAOYSA-N 0 3 300.793 3.245 20 30 DGEDHN N#Cc1cccc(CN2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000357785320 268247878 /nfs/dbraw/zinc/24/78/78/268247878.db2.gz BMBILQFGXOFJPO-SFHVURJKSA-N 0 3 302.381 3.355 20 30 DGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccccc1 ZINC000528336830 268299880 /nfs/dbraw/zinc/29/98/80/268299880.db2.gz ISADXYUXXACOAT-RTBURBONSA-N 0 3 322.408 3.135 20 30 DGEDHN N#Cc1ccncc1NCc1ccc(OCCN2CCCC2)cc1 ZINC000354323847 268300836 /nfs/dbraw/zinc/30/08/36/268300836.db2.gz HZXILCWZZUYELP-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DGEDHN Cc1ccccc1NC(=O)C[C@@H](C)NCc1cccc(C#N)c1 ZINC000151371068 432241181 /nfs/dbraw/zinc/24/11/81/432241181.db2.gz ITHWCLDRFFDRSF-OAHLLOKOSA-N 0 3 307.397 3.374 20 30 DGEDHN Cc1sc(NC(=O)CN[C@@H]2CCCC2(C)C)c(C#N)c1C ZINC000191308973 432248094 /nfs/dbraw/zinc/24/80/94/432248094.db2.gz KKXCFNQZMASAIM-CYBMUJFWSA-N 0 3 305.447 3.343 20 30 DGEDHN CC1CCC(N2CCN(c3c(C#N)cccc3C#N)CC2)CC1 ZINC000302871483 273598138 /nfs/dbraw/zinc/59/81/38/273598138.db2.gz BZCUAKBHWADGCA-UHFFFAOYSA-N 0 3 308.429 3.131 20 30 DGEDHN CN1CCC(Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000281031753 273870590 /nfs/dbraw/zinc/87/05/90/273870590.db2.gz UGSYTXWJPJFJGN-UHFFFAOYSA-N 0 3 320.318 3.030 20 30 DGEDHN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000129411829 274300760 /nfs/dbraw/zinc/30/07/60/274300760.db2.gz HNJHZYFMABWZKK-QAPCUYQASA-N 0 3 313.832 3.471 20 30 DGEDHN CN(C)c1cccc(CN(C)Cc2ccc(OCC#N)cc2)c1 ZINC000270562150 432258842 /nfs/dbraw/zinc/25/88/42/432258842.db2.gz XOQNFUNISBVLPX-UHFFFAOYSA-N 0 3 309.413 3.287 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ccc2c(n1)CCC2=O)C(C)C ZINC000520643333 429523045 /nfs/dbraw/zinc/52/30/45/429523045.db2.gz CQQLLMRIGKRCJE-QGZVFWFLSA-N 0 3 313.445 3.321 20 30 DGEDHN CCC(CC)(CC(=O)OC)NCC#Cc1ccc(Cl)cc1 ZINC000472422682 275953881 /nfs/dbraw/zinc/95/38/81/275953881.db2.gz NLSOSFUZNGFVTQ-UHFFFAOYSA-N 0 3 307.821 3.403 20 30 DGEDHN CCN(C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000268630202 276135993 /nfs/dbraw/zinc/13/59/93/276135993.db2.gz BOZLUGKHAVLIHY-AUUYWEPGSA-N 0 3 310.397 3.380 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000429792108 276859027 /nfs/dbraw/zinc/85/90/27/276859027.db2.gz UDIPYVRZGWXFHF-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)CCCCC1 ZINC000376402704 277670754 /nfs/dbraw/zinc/67/07/54/277670754.db2.gz KAWAQWRUZJEELL-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN CC(C)(C#N)CCCCN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000278578215 278256906 /nfs/dbraw/zinc/25/69/06/278256906.db2.gz CNAOPELEGMCQEW-MRXNPFEDSA-N 0 3 322.474 3.082 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CCCN(CCCC#N)C2)CC1 ZINC000364626395 278383963 /nfs/dbraw/zinc/38/39/63/278383963.db2.gz WGRXRZFYRNTCFI-UHFFFAOYSA-N 0 3 321.465 3.403 20 30 DGEDHN CC(C)C[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000468825278 279024258 /nfs/dbraw/zinc/02/42/58/279024258.db2.gz CZWDYKQKEYNHKE-XYJFISCASA-N 0 3 307.482 3.187 20 30 DGEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCCC1(C#N)CCOCC1 ZINC000337259648 279077780 /nfs/dbraw/zinc/07/77/80/279077780.db2.gz VMYAOCYVZUKANL-OLZOCXBDSA-N 0 3 304.356 3.360 20 30 DGEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCCC1(C#N)CCOCC1 ZINC000337259646 279098336 /nfs/dbraw/zinc/09/83/36/279098336.db2.gz VMYAOCYVZUKANL-CHWSQXEVSA-N 0 3 304.356 3.360 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC2(CCCCC2)C1 ZINC000111323732 279223351 /nfs/dbraw/zinc/22/33/51/279223351.db2.gz OKKGYXOYSXZGKS-MRXNPFEDSA-N 0 3 305.466 3.041 20 30 DGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C\CN(C)C ZINC000492971061 279243621 /nfs/dbraw/zinc/24/36/21/279243621.db2.gz FHQWCUUJKVJAKW-OYVUYXNMSA-N 0 3 303.431 3.137 20 30 DGEDHN Cc1sc(NC(=O)CN(C(C)C)C2CCC2)c(C#N)c1C ZINC000177268503 279284169 /nfs/dbraw/zinc/28/41/69/279284169.db2.gz MTJRAHVXQAIOFZ-UHFFFAOYSA-N 0 3 305.447 3.438 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000111256925 431203785 /nfs/dbraw/zinc/20/37/85/431203785.db2.gz BNHMEFHXAYHZNL-ZDUSSCGKSA-N 0 3 322.399 3.382 20 30 DGEDHN CN(CCCCC#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111270876 431206156 /nfs/dbraw/zinc/20/61/56/431206156.db2.gz CAODKCWFADJWPH-OAHLLOKOSA-N 0 3 305.809 3.071 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000069784149 431222564 /nfs/dbraw/zinc/22/25/64/431222564.db2.gz RYEUXOMJENXZBU-UHFFFAOYSA-N 0 3 324.384 3.234 20 30 DGEDHN CCSc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543445 431281132 /nfs/dbraw/zinc/28/11/32/431281132.db2.gz YEWXGPMZVGKGHU-ZIAGYGMSSA-N 0 3 319.474 3.210 20 30 DGEDHN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000007018748 431330516 /nfs/dbraw/zinc/33/05/16/431330516.db2.gz DJGKPMRPEVLFHB-VBKZILBWSA-N 0 3 321.424 3.299 20 30 DGEDHN C=CCN(CC=C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000113625281 431355134 /nfs/dbraw/zinc/35/51/34/431355134.db2.gz NQIAJTCWYKHROP-INIZCTEOSA-N 0 3 315.461 3.499 20 30 DGEDHN CN(CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000074348907 431416088 /nfs/dbraw/zinc/41/60/88/431416088.db2.gz XWRWFUWOCWRUPK-UHFFFAOYSA-N 0 3 318.380 3.283 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000075768487 431497826 /nfs/dbraw/zinc/49/78/26/431497826.db2.gz MLEOGUZDBOKXDN-HOCLYGCPSA-N 0 3 308.385 3.373 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)C(C)C ZINC000078470429 431673510 /nfs/dbraw/zinc/67/35/10/431673510.db2.gz ZJXJKMPWJIPLAB-INIZCTEOSA-N 0 3 318.421 3.409 20 30 DGEDHN CN1CCN(Cc2cccc(NCC(C)(C)CCC#N)c2)CC1 ZINC000080196297 431764903 /nfs/dbraw/zinc/76/49/03/431764903.db2.gz BNGYOFQEHVZDHT-UHFFFAOYSA-N 0 3 314.477 3.176 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](COC)C2CC2)ccc1OC ZINC000121248068 431760263 /nfs/dbraw/zinc/76/02/63/431760263.db2.gz YNLQQTFGWPGYQV-INIZCTEOSA-N 0 3 305.418 3.165 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000080079475 431762544 /nfs/dbraw/zinc/76/25/44/431762544.db2.gz PXJODVDDGCQIDU-GOSISDBHSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2c2sccc2C)CC1 ZINC000121252414 431762710 /nfs/dbraw/zinc/76/27/10/431762710.db2.gz IWKHHNFTGYGNQF-CVEARBPZSA-N 0 3 318.486 3.317 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119752170 431716642 /nfs/dbraw/zinc/71/66/42/431716642.db2.gz QDPLOQQIIADPHQ-LPHOPBHVSA-N 0 3 312.457 3.392 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000120266470 431723525 /nfs/dbraw/zinc/72/35/25/431723525.db2.gz GPMLQQXMYJVENZ-IUODEOHRSA-N 0 3 307.825 3.141 20 30 DGEDHN N#CC(C(=O)c1cccc(OC(F)(F)F)c1)c1ccccn1 ZINC000121509887 431799035 /nfs/dbraw/zinc/79/90/35/431799035.db2.gz DJAPATYWPCWGJL-GFCCVEGCSA-N 0 3 306.243 3.470 20 30 DGEDHN C=C(Br)CN(C)C1CCN(Cc2ccccc2)CC1 ZINC000121622419 431802398 /nfs/dbraw/zinc/80/23/98/431802398.db2.gz UHHPUQLJIBKOCI-UHFFFAOYSA-N 0 3 323.278 3.491 20 30 DGEDHN CC(C)[C@H](CNC(=O)c1cc(C#N)cs1)N1CCC(C)CC1 ZINC000084078009 431813119 /nfs/dbraw/zinc/81/31/19/431813119.db2.gz IHQDDKQKSULRKM-HNNXBMFYSA-N 0 3 319.474 3.106 20 30 DGEDHN Cc1ccoc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122830050 431846122 /nfs/dbraw/zinc/84/61/22/431846122.db2.gz OMBMGZXBMDKSRB-UHFFFAOYSA-N 0 3 309.413 3.168 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000041517124 431859755 /nfs/dbraw/zinc/85/97/55/431859755.db2.gz OJWPICWNHHBOFM-HNNXBMFYSA-N 0 3 322.393 3.186 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC(n3ccnc3)CC2)c1 ZINC000092648552 431910647 /nfs/dbraw/zinc/91/06/47/431910647.db2.gz CPILWPVVUBLBBD-UHFFFAOYSA-N 0 3 324.428 3.403 20 30 DGEDHN C=CCc1cc(CN2CCC(CC)(CO)CC2)cc(OC)c1O ZINC000093591790 431916017 /nfs/dbraw/zinc/91/60/17/431916017.db2.gz KGIQWVSZWAWIDG-UHFFFAOYSA-N 0 3 319.445 3.114 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000094134680 431919846 /nfs/dbraw/zinc/91/98/46/431919846.db2.gz BPFMGRTYHVJQAQ-BQFCYCMXSA-N 0 3 322.493 3.005 20 30 DGEDHN COc1ccccc1[C@@H](CNc1ncccc1C#N)N1CCCC1 ZINC000046228530 431895979 /nfs/dbraw/zinc/89/59/79/431895979.db2.gz HWAZAGLQVWVFSY-QGZVFWFLSA-N 0 3 322.412 3.211 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccncc2)cc1 ZINC000125513435 431928003 /nfs/dbraw/zinc/92/80/03/431928003.db2.gz ZOIUTPXXMKSPAM-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@H](O)c2cccc(F)c2)C1 ZINC000126204709 431944761 /nfs/dbraw/zinc/94/47/61/431944761.db2.gz IUGSNGWSIRPYDO-XBMUEBEBSA-N 0 3 310.372 3.073 20 30 DGEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2sccc2C#N)C1 ZINC000052148251 431954985 /nfs/dbraw/zinc/95/49/85/431954985.db2.gz QIUPNFHVPWHIPQ-CHWSQXEVSA-N 0 3 319.474 3.106 20 30 DGEDHN CCN(CCn1c(C)csc1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000054340720 431969259 /nfs/dbraw/zinc/96/92/59/431969259.db2.gz NDHOXMJBHALROZ-CQSZACIVSA-N 0 3 315.442 3.173 20 30 DGEDHN CN(Cc1ccc(-n2ccnc2)cc1)Cc1cccc(C#N)c1 ZINC000101544243 431985341 /nfs/dbraw/zinc/98/53/41/431985341.db2.gz NDFFIOPIVJPRLH-UHFFFAOYSA-N 0 3 302.381 3.376 20 30 DGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000128210224 431989887 /nfs/dbraw/zinc/98/98/87/431989887.db2.gz IMSOLWFNAMQDRL-HNNXBMFYSA-N 0 3 317.433 3.238 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H](C)C[C@H](O)c1cccs1 ZINC000270658501 432271452 /nfs/dbraw/zinc/27/14/52/432271452.db2.gz NRIUTHNXMKOBID-HOCLYGCPSA-N 0 3 315.438 3.362 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@H]1C ZINC000248358564 432282095 /nfs/dbraw/zinc/28/20/95/432282095.db2.gz QXZRLEGYCAPSQK-RBSFLKMASA-N 0 3 317.408 3.191 20 30 DGEDHN N#Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000102831147 431998480 /nfs/dbraw/zinc/99/84/80/431998480.db2.gz UNIGTHLBEVOGJU-GOSISDBHSA-N 0 3 319.408 3.409 20 30 DGEDHN CCCC1CCC(N(C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000191418364 432263362 /nfs/dbraw/zinc/26/33/62/432263362.db2.gz LCFFDZRKFYEKOW-PVARCSIZSA-N 0 3 305.466 3.086 20 30 DGEDHN COc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000174052876 432316637 /nfs/dbraw/zinc/31/66/37/432316637.db2.gz WVGJASKRLVAOJE-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191969537 432319518 /nfs/dbraw/zinc/31/95/18/432319518.db2.gz FEEUNRNKLRSBHH-QGZVFWFLSA-N 0 3 312.413 3.254 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1F ZINC000248804301 432319960 /nfs/dbraw/zinc/31/99/60/432319960.db2.gz BAHHKSBTCMESFK-HOTGVXAUSA-N 0 3 320.433 3.184 20 30 DGEDHN N#Cc1ccc(CNC2CCN(Cc3ccc(F)cc3)CC2)o1 ZINC000174280955 432335219 /nfs/dbraw/zinc/33/52/19/432335219.db2.gz IKAFMTAHNYAEBC-UHFFFAOYSA-N 0 3 313.376 3.045 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1COc2ccccc2O1 ZINC000249130494 432340584 /nfs/dbraw/zinc/34/05/84/432340584.db2.gz LIYZMTHNFNQRRA-PBHICJAKSA-N 0 3 308.381 3.391 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249307665 432344524 /nfs/dbraw/zinc/34/45/24/432344524.db2.gz GZIQWTBKBTWORS-HUUCEWRRSA-N 0 3 306.475 3.383 20 30 DGEDHN CO[C@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000271210580 432355747 /nfs/dbraw/zinc/35/57/47/432355747.db2.gz YDFSVTZGPIOLDG-FQEVSTJZSA-N 0 3 322.408 3.358 20 30 DGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccco3)CC2)c1 ZINC000271201670 432352827 /nfs/dbraw/zinc/35/28/27/432352827.db2.gz WNRZIRIOJFSJER-UHFFFAOYSA-N 0 3 309.369 3.002 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248636665 432307987 /nfs/dbraw/zinc/30/79/87/432307987.db2.gz UZJXFDGHSYUORE-GDBMZVCRSA-N 0 3 318.486 3.297 20 30 DGEDHN N#Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000152182476 432312111 /nfs/dbraw/zinc/31/21/11/432312111.db2.gz CQSHXGHFUHOVKA-UHFFFAOYSA-N 0 3 312.417 3.040 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N(CC)CC ZINC000270992074 432313211 /nfs/dbraw/zinc/31/32/11/432313211.db2.gz HZSHTLRFEMBHFI-GJZGRUSLSA-N 0 3 307.825 3.141 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000152981130 432373996 /nfs/dbraw/zinc/37/39/96/432373996.db2.gz KJXRXQQEJVTJSB-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000252920994 432388482 /nfs/dbraw/zinc/38/84/82/432388482.db2.gz GMYDLCYHVCTWHV-OIISXLGYSA-N 0 3 304.821 3.337 20 30 DGEDHN C#CCSCCNCc1ccc(OCc2ccncc2)cc1 ZINC000152936197 432370761 /nfs/dbraw/zinc/37/07/61/432370761.db2.gz OIAAPKCGWCUHFF-UHFFFAOYSA-N 0 3 312.438 3.117 20 30 DGEDHN N#Cc1cccc(OCCN2CCC(C3CCOCC3)CC2)c1 ZINC000153760900 432440038 /nfs/dbraw/zinc/44/00/38/432440038.db2.gz IPUUMFIXVAILDL-UHFFFAOYSA-N 0 3 314.429 3.076 20 30 DGEDHN COCCOCCN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000175609654 432452412 /nfs/dbraw/zinc/45/24/12/432452412.db2.gz FUSCKORNGKFAQI-UHFFFAOYSA-N 0 3 324.424 3.223 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000184997394 432453984 /nfs/dbraw/zinc/45/39/84/432453984.db2.gz GPPGYQQXIQXXMA-SFHVURJKSA-N 0 3 300.446 3.379 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)cn2C)n1 ZINC000192769483 432411321 /nfs/dbraw/zinc/41/13/21/432411321.db2.gz HDTDQSZHPCVBJG-SECBINFHSA-N 0 3 324.203 3.043 20 30 DGEDHN C[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000271822011 432426269 /nfs/dbraw/zinc/42/62/69/432426269.db2.gz NYFSZPRUPDDRAW-UGSOOPFHSA-N 0 3 314.360 3.112 20 30 DGEDHN C=CCCCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193429319 432472554 /nfs/dbraw/zinc/47/25/54/432472554.db2.gz URZPMRIUXGOCMK-AWEZNQCLSA-N 0 3 304.394 3.222 20 30 DGEDHN N#Cc1cccc(OC2CCN(Cc3ccc(CO)cc3)CC2)c1 ZINC000272267030 432474226 /nfs/dbraw/zinc/47/42/26/432474226.db2.gz CMGURLAOMKIQFU-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)cc1F)C(C)C ZINC000185232186 432480826 /nfs/dbraw/zinc/48/08/26/432480826.db2.gz AKDNGJSQLZNFAS-QGZVFWFLSA-N 0 3 306.381 3.155 20 30 DGEDHN C=CCn1c(SCCN2CCC(C)CC2)nnc1C1CC1 ZINC000154203485 432481877 /nfs/dbraw/zinc/48/18/77/432481877.db2.gz IRQQSEXMKAJYGS-UHFFFAOYSA-N 0 3 306.479 3.166 20 30 DGEDHN CCC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000193631200 432485995 /nfs/dbraw/zinc/48/59/95/432485995.db2.gz TVBACRQDIZUQAZ-AEFFLSMTSA-N 0 3 301.434 3.172 20 30 DGEDHN CC#CCCCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000185537477 432508313 /nfs/dbraw/zinc/50/83/13/432508313.db2.gz DLDXVYYGHJEALN-UHFFFAOYSA-N 0 3 322.518 3.048 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3ccnc3)cc2)n1 ZINC000193268415 432461613 /nfs/dbraw/zinc/46/16/13/432461613.db2.gz OESHJTKHKWUFJR-CQSZACIVSA-N 0 3 308.366 3.127 20 30 DGEDHN COc1cc(CN2C[C@@H](C)NCc3ccccc32)ccc1C#N ZINC000261973978 432465913 /nfs/dbraw/zinc/46/59/13/432465913.db2.gz ZJMOUAHLOIKZBT-CQSZACIVSA-N 0 3 307.397 3.065 20 30 DGEDHN COC(=O)c1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000273058096 432544656 /nfs/dbraw/zinc/54/46/56/432544656.db2.gz ZQWMWAWFSXHUMH-AWEZNQCLSA-N 0 3 324.380 3.074 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1c(C)noc1C)C(C)C ZINC000264094333 432614853 /nfs/dbraw/zinc/61/48/53/432614853.db2.gz SVWOOJKEFUVWSH-OAHLLOKOSA-N 0 3 320.437 3.112 20 30 DGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)cc2F)sc1C ZINC000155653026 432566317 /nfs/dbraw/zinc/56/63/17/432566317.db2.gz ZACNVBJEMTZFSK-JTQLQIEISA-N 0 3 307.325 3.284 20 30 DGEDHN C#CC[C@H](NCCC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000273243010 432572394 /nfs/dbraw/zinc/57/23/94/432572394.db2.gz XPUHZDIMBRBTPV-IBGZPJMESA-N 0 3 322.408 3.378 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccc(C#N)c2)n1 ZINC000155758740 432573390 /nfs/dbraw/zinc/57/33/90/432573390.db2.gz DRDADNMCICNEPX-CYBMUJFWSA-N 0 3 310.382 3.384 20 30 DGEDHN CN(CCOc1ccccc1F)Cc1ccc(OCC#N)cc1 ZINC000264124438 432617161 /nfs/dbraw/zinc/61/71/61/432617161.db2.gz LKYMCBBEUBWCJI-UHFFFAOYSA-N 0 3 314.360 3.239 20 30 DGEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000273312404 432582947 /nfs/dbraw/zinc/58/29/47/432582947.db2.gz NVDUQSUAFMUJBR-HKUYNNGSSA-N 0 3 323.440 3.214 20 30 DGEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000194926780 432587996 /nfs/dbraw/zinc/58/79/96/432587996.db2.gz XKXGDQXJBPLGED-SFHVURJKSA-N 0 3 302.418 3.348 20 30 DGEDHN C#CCOc1ccccc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186441290 432596015 /nfs/dbraw/zinc/59/60/15/432596015.db2.gz IWYQNMCSTRBROX-OAQYLSRUSA-N 0 3 319.404 3.330 20 30 DGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000264214220 432627040 /nfs/dbraw/zinc/62/70/40/432627040.db2.gz TVHVPXYHHAMTHG-HXUWFJFHSA-N 0 3 322.408 3.135 20 30 DGEDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157944367 432632882 /nfs/dbraw/zinc/63/28/82/432632882.db2.gz VCZDQJLKUJUXME-LLVKDONJSA-N 0 3 305.809 3.271 20 30 DGEDHN CC[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N(CC)CC ZINC000274080548 432633563 /nfs/dbraw/zinc/63/35/63/432633563.db2.gz QPXJBQHCWGDNCP-DLBZAZTESA-N 0 3 301.434 3.268 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3C[C@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000177571145 432637591 /nfs/dbraw/zinc/63/75/91/432637591.db2.gz JDXQXJKZEGXBPX-HZPDHXFCSA-N 0 3 308.385 3.230 20 30 DGEDHN C=CCC[C@@H](O)CN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158147320 432637622 /nfs/dbraw/zinc/63/76/22/432637622.db2.gz SPSCPIRSVXMZOF-CYBMUJFWSA-N 0 3 318.244 3.115 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2cccs2)CC1 ZINC000264351857 432638039 /nfs/dbraw/zinc/63/80/39/432638039.db2.gz CYXAZYWNGULWDY-UHFFFAOYSA-N 0 3 321.490 3.320 20 30 DGEDHN C=CCN(CC=C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000158134294 432637957 /nfs/dbraw/zinc/63/79/57/432637957.db2.gz ZZNAGVZUDGSPJL-UHFFFAOYSA-N 0 3 313.489 3.391 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC(C)C)CC(C)(C)C)CC1 ZINC000177622573 432644070 /nfs/dbraw/zinc/64/40/70/432644070.db2.gz AOJSDDQBZPJHRD-UHFFFAOYSA-N 0 3 309.498 3.351 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N(C)C ZINC000264530672 432656074 /nfs/dbraw/zinc/65/60/74/432656074.db2.gz ICJMOQHLORKVNC-OLZOCXBDSA-N 0 3 320.462 3.152 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000159937810 432700885 /nfs/dbraw/zinc/70/08/85/432700885.db2.gz ANYVATBEODCMPH-FUHWJXTLSA-N 0 3 313.445 3.033 20 30 DGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000160146678 432708400 /nfs/dbraw/zinc/70/84/00/432708400.db2.gz NWVITRYLGUUKBN-SECBINFHSA-N 0 3 309.753 3.490 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160205953 432710202 /nfs/dbraw/zinc/71/02/02/432710202.db2.gz PFQDHCSPIJOZLH-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000178325934 432720436 /nfs/dbraw/zinc/72/04/36/432720436.db2.gz VPWHIRCDISBQOT-INIZCTEOSA-N 0 3 306.413 3.145 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccn1 ZINC000159087612 432670657 /nfs/dbraw/zinc/67/06/57/432670657.db2.gz AMVYQSSTTMPXJB-GOEBONIOSA-N 0 3 324.403 3.412 20 30 DGEDHN C=CCn1c(SC[C@H]2CCN(C)C2)nnc1-c1ccoc1C ZINC000187662313 432675102 /nfs/dbraw/zinc/67/51/02/432675102.db2.gz LDOINRYQHBNIDN-ZDUSSCGKSA-N 0 3 318.446 3.076 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1nccnc1C)C(C)C ZINC000187756892 432683435 /nfs/dbraw/zinc/68/34/35/432683435.db2.gz RSNJKFFSUDKLEY-DLBZAZTESA-N 0 3 302.466 3.134 20 30 DGEDHN C=CCC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCC1 ZINC000188632742 432735567 /nfs/dbraw/zinc/73/55/67/432735567.db2.gz IPTIDIMRPZBGGU-UHFFFAOYSA-N 0 3 322.518 3.211 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(F)c1C#N ZINC000188647794 432736952 /nfs/dbraw/zinc/73/69/52/432736952.db2.gz LVPGDHPWFCTDQC-ZDUSSCGKSA-N 0 3 318.311 3.074 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccc(C)o2)c([O-])c1 ZINC000265893012 432741591 /nfs/dbraw/zinc/74/15/91/432741591.db2.gz ZRPDACWVTHNHPP-HDZGYNCQSA-N 0 3 316.401 3.292 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)s1)[C@@H](O)c1c(F)cccc1F ZINC000267229734 432824787 /nfs/dbraw/zinc/82/47/87/432824787.db2.gz VMRYXNPLBAJNGJ-GOEBONIOSA-N 0 3 322.380 3.500 20 30 DGEDHN C[C@H]1CCN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000267346321 432834090 /nfs/dbraw/zinc/83/40/90/432834090.db2.gz FOKNHRZHMLMWKD-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C)C2)c1C ZINC000267668633 432836036 /nfs/dbraw/zinc/83/60/36/432836036.db2.gz ODJTUFWBINESSR-IYBDPMFKSA-N 0 3 313.445 3.138 20 30 DGEDHN C=CCCN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000276202357 432782961 /nfs/dbraw/zinc/78/29/61/432782961.db2.gz YUQQMJIGHKKBOK-UHFFFAOYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000276229560 432786622 /nfs/dbraw/zinc/78/66/22/432786622.db2.gz NECJHQNJYUIHGY-GOSISDBHSA-N 0 3 304.434 3.224 20 30 DGEDHN Cn1ncc2c1CCC[C@@H]2NCc1cccc(OCCCC#N)c1 ZINC000237733694 432799108 /nfs/dbraw/zinc/79/91/08/432799108.db2.gz FNOBVMZFKOGLOY-SFHVURJKSA-N 0 3 324.428 3.270 20 30 DGEDHN C(#CCN1CCC[C@H]1c1ccc[nH]1)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000276364835 432801400 /nfs/dbraw/zinc/80/14/00/432801400.db2.gz ZSERYZCGDGWQRH-BGYRXZFFSA-N 0 3 322.456 3.320 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245916921 432869977 /nfs/dbraw/zinc/86/99/77/432869977.db2.gz SCRPIEXOEDUGCI-IRXDYDNUSA-N 0 3 302.443 3.045 20 30 DGEDHN C=CCC[C@@H](O)CN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000245980709 432873307 /nfs/dbraw/zinc/87/33/07/432873307.db2.gz CVAHQHGRYWMTTL-NVXWUHKLSA-N 0 3 304.434 3.053 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245997283 432873867 /nfs/dbraw/zinc/87/38/67/432873867.db2.gz XRPJSIXWZURCJM-WBVHZDCISA-N 0 3 308.429 3.307 20 30 DGEDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccn1 ZINC000329944073 432884322 /nfs/dbraw/zinc/88/43/22/432884322.db2.gz IDXWJMGPHZLWCT-OAHLLOKOSA-N 0 3 317.433 3.190 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1C ZINC000330034736 432889644 /nfs/dbraw/zinc/88/96/44/432889644.db2.gz BFGCFBAPANRKIO-QWHCGFSZSA-N 0 3 304.438 3.118 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000288371544 432890879 /nfs/dbraw/zinc/89/08/79/432890879.db2.gz FCSLCADFSJEJJB-QFBILLFUSA-N 0 3 313.445 3.049 20 30 DGEDHN C=C(C)CN1CCC(Nc2c(F)c(F)nc(F)c2F)CC1 ZINC000268091970 432844180 /nfs/dbraw/zinc/84/41/80/432844180.db2.gz LFJSCDRQDCLGTH-UHFFFAOYSA-N 0 3 303.303 3.090 20 30 DGEDHN C=CCC(CC=C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000268147999 432850462 /nfs/dbraw/zinc/85/04/62/432850462.db2.gz DTFAECUCDFMXLP-UHFFFAOYSA-N 0 3 316.445 3.012 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)noc2C(C)C)CC1 ZINC000330656418 432922841 /nfs/dbraw/zinc/92/28/41/432922841.db2.gz NRCHMGXPRYIHAC-UHFFFAOYSA-N 0 3 305.422 3.452 20 30 DGEDHN CC#CCCCc1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000289136538 432925509 /nfs/dbraw/zinc/92/55/09/432925509.db2.gz LVLNSOGCJJOUKY-UHFFFAOYSA-N 0 3 313.401 3.023 20 30 DGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000289235947 432936981 /nfs/dbraw/zinc/93/69/81/432936981.db2.gz KRELMWBLQRNLQQ-AWEZNQCLSA-N 0 3 304.393 3.038 20 30 DGEDHN C[C@@H](Cc1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279182818 432943051 /nfs/dbraw/zinc/94/30/51/432943051.db2.gz BQMVCAGNWYWYQV-XJKSGUPXSA-N 0 3 323.421 3.049 20 30 DGEDHN C#Cc1ccc(CNCc2cccc(N3CCCC3=O)c2)cc1 ZINC000289320606 432945055 /nfs/dbraw/zinc/94/50/55/432945055.db2.gz SYNAHHDYDNPBEW-UHFFFAOYSA-N 0 3 304.393 3.085 20 30 DGEDHN O=C(NCC1(CCO)CCCCC1)C1CCN(C2CC2)CC1 ZINC000330211030 432897214 /nfs/dbraw/zinc/89/72/14/432897214.db2.gz CTQYYZLVIQPRCD-UHFFFAOYSA-N 0 3 308.466 3.150 20 30 DGEDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000330204582 432897359 /nfs/dbraw/zinc/89/73/59/432897359.db2.gz BSXIIBLQVRKPGB-DZGCQCFKSA-N 0 3 312.772 3.224 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000278657780 432898582 /nfs/dbraw/zinc/89/85/82/432898582.db2.gz AUOBZGSJAMGIDL-DOTOQJQBSA-N 0 3 313.445 3.096 20 30 DGEDHN Cc1ccccc1CN1CCC(NC(=O)CC(C)(C)C#N)CC1 ZINC000278787306 432900245 /nfs/dbraw/zinc/90/02/45/432900245.db2.gz MIGQOBGSLLXANF-UHFFFAOYSA-N 0 3 313.445 3.016 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCNC(=O)CC1 ZINC000296479826 432913406 /nfs/dbraw/zinc/91/34/06/432913406.db2.gz KJRGTFXBZMJZAX-LBPRGKRZSA-N 0 3 312.866 3.306 20 30 DGEDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330595235 432919089 /nfs/dbraw/zinc/91/90/89/432919089.db2.gz BQORSUHUZATKQE-GXTWGEPZSA-N 0 3 319.405 3.307 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cnc3ccccc3c2)CC1 ZINC000297602786 432998470 /nfs/dbraw/zinc/99/84/70/432998470.db2.gz FXKCJLBQPMGHMJ-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN CN(C)CCN(Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000289452754 432962404 /nfs/dbraw/zinc/96/24/04/432962404.db2.gz NLAFAVPKOVDKCK-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ncsc2C(C)C)CC1 ZINC000290175416 433007504 /nfs/dbraw/zinc/00/75/04/433007504.db2.gz FLNTTZHAOCJSMI-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C(C)(C)C ZINC000290194000 433010037 /nfs/dbraw/zinc/01/00/37/433010037.db2.gz OZHIBLKQFOOLDD-QGZVFWFLSA-N 0 3 306.413 3.096 20 30 DGEDHN C#Cc1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000290219602 433015239 /nfs/dbraw/zinc/01/52/39/433015239.db2.gz RNEDCVUXRCPOPL-NRFANRHFSA-N 0 3 323.411 3.234 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000453337836 433099288 /nfs/dbraw/zinc/09/92/88/433099288.db2.gz AOXTUVZAXAWLIM-RTXFEEFZSA-N 0 3 313.344 3.291 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000280528885 433073156 /nfs/dbraw/zinc/07/31/56/433073156.db2.gz YIWIVHZYOSOVGO-SFHVURJKSA-N 0 3 321.424 3.423 20 30 DGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccnc2)s1 ZINC000419837812 433073597 /nfs/dbraw/zinc/07/35/97/433073597.db2.gz MSWBXIMTEKZVKW-NSHDSACASA-N 0 3 300.387 3.081 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425017151 433074916 /nfs/dbraw/zinc/07/49/16/433074916.db2.gz YFFWRDCHKGLQIH-VQTJNVASSA-N 0 3 324.468 3.488 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000453375075 433132086 /nfs/dbraw/zinc/13/20/86/433132086.db2.gz XIXPPDIOPXZWPP-LZQZEXGQSA-N 0 3 311.429 3.316 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000280685643 433137991 /nfs/dbraw/zinc/13/79/91/433137991.db2.gz RCPYUTPBUVMYKM-SUMWQHHRSA-N 0 3 320.389 3.064 20 30 DGEDHN CC[C@H](CC(F)(F)F)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000354546486 433140930 /nfs/dbraw/zinc/14/09/30/433140930.db2.gz OVXQWMZMFSFGSE-NWDGAFQWSA-N 0 3 319.371 3.038 20 30 DGEDHN CC#CCCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000373345269 433150991 /nfs/dbraw/zinc/15/09/91/433150991.db2.gz MATMHUJBBAUJDP-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000425120819 433102193 /nfs/dbraw/zinc/10/21/93/433102193.db2.gz BDUQKPGKBZVGRU-JONQDZQNSA-N 0 3 313.445 3.339 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000453338653 433102429 /nfs/dbraw/zinc/10/24/29/433102429.db2.gz BFLSIZSKEJEQFI-XYPHTWIQSA-N 0 3 317.433 3.211 20 30 DGEDHN CCN(CC)[C@H](CNc1cc(C#N)cc(C)n1)c1ccsc1 ZINC000341535034 433116921 /nfs/dbraw/zinc/11/69/21/433116921.db2.gz PGOPDZGWFCAVMC-MRXNPFEDSA-N 0 3 314.458 3.818 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc([C@@H]2CCCO2)s1 ZINC000280745625 433159482 /nfs/dbraw/zinc/15/94/82/433159482.db2.gz XLDKFRCNOIGRME-QEJZJMRPSA-N 0 3 308.447 3.065 20 30 DGEDHN Cc1nnc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000336711951 433183681 /nfs/dbraw/zinc/18/36/81/433183681.db2.gz QFUXMOFVPRHOFO-CRAIPNDOSA-N 0 3 321.428 3.040 20 30 DGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453451953 433195228 /nfs/dbraw/zinc/19/52/28/433195228.db2.gz LKMKYZCQYMFARB-HOTGVXAUSA-N 0 3 319.497 3.288 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)CC(C)(C)C ZINC000361520717 433220713 /nfs/dbraw/zinc/22/07/13/433220713.db2.gz XVKZOGMBFGNTIB-UHFFFAOYSA-N 0 3 301.434 3.301 20 30 DGEDHN COCCOCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000291145704 433223246 /nfs/dbraw/zinc/22/32/46/433223246.db2.gz IBIHVVNSLWIOGF-QZTJIDSGSA-N 0 3 302.418 3.022 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)COC2)c1cnc2ccccc2n1 ZINC000361541616 433234428 /nfs/dbraw/zinc/23/44/28/433234428.db2.gz RAVIQBADIOMHGL-OAHLLOKOSA-N 0 3 315.332 3.150 20 30 DGEDHN CC(C)CN(Cc1cnc2cnccn12)Cc1ccc(C#N)cc1 ZINC000350658121 433246999 /nfs/dbraw/zinc/24/69/99/433246999.db2.gz KYQXSVGJGDRHSE-UHFFFAOYSA-N 0 3 319.412 3.259 20 30 DGEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC000453629891 433251435 /nfs/dbraw/zinc/25/14/35/433251435.db2.gz ZEFARSDEYVTUAS-GOSISDBHSA-N 0 3 300.402 3.112 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000281117287 433263254 /nfs/dbraw/zinc/26/32/54/433263254.db2.gz RYPPWLJUKNOFPS-GOSISDBHSA-N 0 3 300.446 3.370 20 30 DGEDHN N#Cc1ccc(C(=O)N(CCN2CCCCCC2)C2CCC2)o1 ZINC000354781115 433268062 /nfs/dbraw/zinc/26/80/62/433268062.db2.gz JDKHNWYSOGBPBS-UHFFFAOYSA-N 0 3 315.417 3.022 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000281337404 433290281 /nfs/dbraw/zinc/29/02/81/433290281.db2.gz LSDFWDQDCZLIQG-CQSZACIVSA-N 0 3 309.479 3.176 20 30 DGEDHN Cc1cccc(OC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425548253 433291461 /nfs/dbraw/zinc/29/14/61/433291461.db2.gz YFYHJEKVBGHULD-VQIMIIECSA-N 0 3 324.424 3.299 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425550011 433293724 /nfs/dbraw/zinc/29/37/24/433293724.db2.gz YVLPOVPJZBMJIA-KRWDZBQOSA-N 0 3 313.445 3.222 20 30 DGEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1ccccc1 ZINC000338385071 433296801 /nfs/dbraw/zinc/29/68/01/433296801.db2.gz GRZXVRLOKNQFLX-SFHVURJKSA-N 0 3 306.413 3.157 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000281498305 433306752 /nfs/dbraw/zinc/30/67/52/433306752.db2.gz WMGVIRNANAUVKO-OAHLLOKOSA-N 0 3 319.449 3.240 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1cccc(CN2CCOCC2)c1 ZINC000420919840 433313334 /nfs/dbraw/zinc/31/33/34/433313334.db2.gz ILEHVXSXKZRMPH-LJQANCHMSA-N 0 3 300.446 3.059 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291814706 433360874 /nfs/dbraw/zinc/36/08/74/433360874.db2.gz NPTOWIGYTGZOMZ-JXFKEZNVSA-N 0 3 306.409 3.255 20 30 DGEDHN CCN(CC)[C@@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000341933160 433364598 /nfs/dbraw/zinc/36/45/98/433364598.db2.gz VFGXOFZFGOGCFW-ZDUSSCGKSA-N 0 3 318.808 3.695 20 30 DGEDHN CO[C@@](C)([C@@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000413965027 433327388 /nfs/dbraw/zinc/32/73/88/433327388.db2.gz WLPBJFSBYOUPKP-OGWOLHLISA-N 0 3 314.429 3.079 20 30 DGEDHN CCc1nc(C)c(CNC2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000291755815 433339241 /nfs/dbraw/zinc/33/92/41/433339241.db2.gz MCXZYDVACHKWNL-UHFFFAOYSA-N 0 3 324.428 3.176 20 30 DGEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426157688 433426778 /nfs/dbraw/zinc/42/67/78/433426778.db2.gz WXXHIWJFWQBNPD-UHFFFAOYSA-N 0 3 322.840 3.263 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1COc2ccccc21 ZINC000426144774 433426841 /nfs/dbraw/zinc/42/68/41/433426841.db2.gz WMWMDMIGNHMINL-DLBZAZTESA-N 0 3 320.392 3.051 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2(CO)CC2)cc1F ZINC000341959531 433379314 /nfs/dbraw/zinc/37/93/14/433379314.db2.gz AEXHEAYIDVURKT-UHFFFAOYSA-N 0 3 324.399 3.472 20 30 DGEDHN C#CCCCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000361787690 433391590 /nfs/dbraw/zinc/39/15/90/433391590.db2.gz JVOFVLTWFIHZJX-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN COCCN(C)CC[C@@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000341985717 433395558 /nfs/dbraw/zinc/39/55/58/433395558.db2.gz QWDKBMDKJBLQEV-GOSISDBHSA-N 0 3 324.428 3.075 20 30 DGEDHN CC(C)(C)[C@H](CCO)NCc1ccc(C#N)cc1OC(F)F ZINC000355006926 433406682 /nfs/dbraw/zinc/40/66/82/433406682.db2.gz APDRFFQSJGTVLD-AWEZNQCLSA-N 0 3 312.360 3.046 20 30 DGEDHN C=C(C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000454404405 433413782 /nfs/dbraw/zinc/41/37/82/433413782.db2.gz BVDLWNHAVFRPJJ-UHFFFAOYSA-N 0 3 321.490 3.226 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000454460358 433439870 /nfs/dbraw/zinc/43/98/70/433439870.db2.gz IDNDEOFCPFEUED-SJLPKXTDSA-N 0 3 307.482 3.151 20 30 DGEDHN N#Cc1ccc(NCC2(N3CCSCC3)CCCC2)c(F)c1 ZINC000301176923 433445345 /nfs/dbraw/zinc/44/53/45/433445345.db2.gz ZHXFAXGZPANDSQ-UHFFFAOYSA-N 0 3 319.449 3.471 20 30 DGEDHN N#Cc1cccc(NCc2ccc(OCCN3CCCC3)cc2)n1 ZINC000339219502 433446019 /nfs/dbraw/zinc/44/60/19/433446019.db2.gz YONZRBQQXSSOPF-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DGEDHN C[C@H]1C[C@@H](N(C)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000339222356 433449757 /nfs/dbraw/zinc/44/97/57/433449757.db2.gz YKIACBGGBMRPPA-LPHOPBHVSA-N 0 3 320.440 3.443 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(C/C=C/c3ccccc3)C2)nc1 ZINC000292086434 433457508 /nfs/dbraw/zinc/45/75/08/433457508.db2.gz FAVLMDRZSDNKTF-UKTKYZJWSA-N 0 3 305.381 3.120 20 30 DGEDHN C=C(CC)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000454524451 433466037 /nfs/dbraw/zinc/46/60/37/433466037.db2.gz SERPXYRPVLXSNO-INIZCTEOSA-N 0 3 315.461 3.477 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463531 433473011 /nfs/dbraw/zinc/47/30/11/433473011.db2.gz CLQFZZVSPNDKNE-BLLLJJGKSA-N 0 3 308.385 3.369 20 30 DGEDHN N#Cc1cccc(NC[C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000301269459 433482571 /nfs/dbraw/zinc/48/25/71/433482571.db2.gz JEVPQKIGMOHBDA-AWEZNQCLSA-N 0 3 312.442 3.339 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@H](O)CC23CCC3)c1 ZINC000421369221 433514931 /nfs/dbraw/zinc/51/49/31/433514931.db2.gz HRMZYYKVYNEMGN-KRWDZBQOSA-N 0 3 314.429 3.249 20 30 DGEDHN CCN1CCCC[C@H]1CNc1nc2cc(Cl)ccn2c1C#N ZINC000342215628 433541560 /nfs/dbraw/zinc/54/15/60/433541560.db2.gz BLZUMXDCCFRUCB-ZDUSSCGKSA-N 0 3 317.824 3.146 20 30 DGEDHN COc1cccc(COCCNCc2ccc(C#N)c(F)c2)c1 ZINC000421346206 433490239 /nfs/dbraw/zinc/49/02/39/433490239.db2.gz YQJCTRKOZDHCQA-UHFFFAOYSA-N 0 3 314.360 3.012 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(SC)CCC1)C(C)C ZINC000426417427 433491533 /nfs/dbraw/zinc/49/15/33/433491533.db2.gz AZIIEOZKZFCYNM-OAHLLOKOSA-N 0 3 310.507 3.087 20 30 DGEDHN Cc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C#N)s1 ZINC000421351199 433493339 /nfs/dbraw/zinc/49/33/39/433493339.db2.gz LYQLJUDZNPVSKV-CYBMUJFWSA-N 0 3 313.426 3.435 20 30 DGEDHN C[C@]1(CNCc2ccc(C#N)c(F)c2)OCCc2sccc21 ZINC000421352762 433497245 /nfs/dbraw/zinc/49/72/45/433497245.db2.gz DSSYUCWFYSEILI-QGZVFWFLSA-N 0 3 316.401 3.337 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(C4CC4)c3)C2)nc1 ZINC000421355692 433498421 /nfs/dbraw/zinc/49/84/21/433498421.db2.gz JISUIUXOOIZGTE-IBGZPJMESA-N 0 3 319.408 3.484 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000454585000 433499170 /nfs/dbraw/zinc/49/91/70/433499170.db2.gz FKUUMGMAOFBKMF-SJLPKXTDSA-N 0 3 315.461 3.305 20 30 DGEDHN C[C@@H](CN1CCCCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301307521 433503432 /nfs/dbraw/zinc/50/34/32/433503432.db2.gz VPGRRSPSLLGOOW-NSHDSACASA-N 0 3 312.339 3.258 20 30 DGEDHN CCN1CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455711810 433550955 /nfs/dbraw/zinc/55/09/55/433550955.db2.gz ZGIRLLXIOGKOKW-ZDUSSCGKSA-N 0 3 320.824 3.012 20 30 DGEDHN Cc1nc(N2CCCN(C3CCCC3)CC2)c(Cl)cc1C#N ZINC000292389833 433560176 /nfs/dbraw/zinc/56/01/76/433560176.db2.gz DRQVPFRAPVEWDB-UHFFFAOYSA-N 0 3 318.852 3.370 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000427067556 433646931 /nfs/dbraw/zinc/64/69/31/433646931.db2.gz PWSWBESOTHKSKY-SFHVURJKSA-N 0 3 300.446 3.291 20 30 DGEDHN CC1(C)CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000301537292 433598012 /nfs/dbraw/zinc/59/80/12/433598012.db2.gz UGKVUOFDDSDQPK-UHFFFAOYSA-N 0 3 306.413 3.054 20 30 DGEDHN C=C(CC)CN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000426788874 433598879 /nfs/dbraw/zinc/59/88/79/433598879.db2.gz PXYYAHGDAIEALV-OAHLLOKOSA-N 0 3 322.474 3.186 20 30 DGEDHN CC(=O)NCCN(CCCC(C)(C)C#N)Cc1ccsc1 ZINC000282485931 433613618 /nfs/dbraw/zinc/61/36/18/433613618.db2.gz MBPHRIWKQPAIQY-UHFFFAOYSA-N 0 3 307.463 3.016 20 30 DGEDHN C=CCN1CCC(NC(=O)C2=C(c3ccccc3)CCC2)CC1 ZINC000448923993 433614739 /nfs/dbraw/zinc/61/47/39/433614739.db2.gz WVRHPMMWLGZRFA-UHFFFAOYSA-N 0 3 310.441 3.391 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccncc3s2)CC1 ZINC000448920820 433616509 /nfs/dbraw/zinc/61/65/09/433616509.db2.gz JCINSZZPPIWAPX-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CN(C)CCN(Cc1cccs1)c1cccc(F)c1C#N ZINC000301645527 433653553 /nfs/dbraw/zinc/65/35/53/433653553.db2.gz NNXLFMDNMNVVNU-UHFFFAOYSA-N 0 3 303.406 3.327 20 30 DGEDHN C=CCc1cc(CN[C@@H](C)C2(OC)CCC2)cc(OC)c1O ZINC000414520995 433685426 /nfs/dbraw/zinc/68/54/26/433685426.db2.gz DUOONBMHMRPHGY-ZDUSSCGKSA-N 0 3 305.418 3.177 20 30 DGEDHN CCc1nnc(NC[C@@H](c2ccccc2)N(C)C)c(C#N)c1CC ZINC000301637712 433651817 /nfs/dbraw/zinc/65/18/17/433651817.db2.gz XLISWQDYWXRPPU-SFHVURJKSA-N 0 3 323.444 3.188 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)C2(OC)CCC2)cc1OC ZINC000414531303 433695902 /nfs/dbraw/zinc/69/59/02/433695902.db2.gz YXEMRVPQXPCFSU-AWEZNQCLSA-N 0 3 305.418 3.307 20 30 DGEDHN CC(C)N1CCC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000356806336 433703437 /nfs/dbraw/zinc/70/34/37/433703437.db2.gz LQAAOMAQEQIMAH-MSOLQXFVSA-N 0 3 313.445 3.063 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 ZINC000362434819 433714262 /nfs/dbraw/zinc/71/42/62/433714262.db2.gz PQRBBAFKRFGRJV-KKUMJFAQSA-N 0 3 306.475 3.239 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H](CO)[C@@H]2C)ccc1OC ZINC000414584925 433734652 /nfs/dbraw/zinc/73/46/52/433734652.db2.gz TXIJTUJAGWWWAN-DOTOQJQBSA-N 0 3 319.445 3.243 20 30 DGEDHN CCC1(CC)CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000362600837 433782837 /nfs/dbraw/zinc/78/28/37/433782837.db2.gz HFDLHDIAWZNRNN-RDJZCZTQSA-N 0 3 307.482 3.332 20 30 DGEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)[C@H]1[C@@H]1CCCO1 ZINC000351984397 433838931 /nfs/dbraw/zinc/83/89/31/433838931.db2.gz XOZSIOCDBMUPST-ROUUACIJSA-N 0 3 314.429 3.217 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc(C)n1 ZINC000422115876 433877722 /nfs/dbraw/zinc/87/77/22/433877722.db2.gz CUKOLOJDXHHBHD-CQSZACIVSA-N 0 3 324.340 3.109 20 30 DGEDHN CN(C[C@@H]1CC=CCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000344028884 433843552 /nfs/dbraw/zinc/84/35/52/433843552.db2.gz ACIHDFVFZWBJHQ-UKRRQHHQSA-N 0 3 315.442 3.013 20 30 DGEDHN COc1ccc([C@H](CN(C)C)NCc2ccc(C#N)s2)cc1 ZINC000284143761 433846269 /nfs/dbraw/zinc/84/62/69/433846269.db2.gz VHVLGZDWDWFIAK-KRWDZBQOSA-N 0 3 315.442 3.021 20 30 DGEDHN C=C(C)COc1cc(CNCCC2(O)CCC2)ccc1OC ZINC000284195686 433856731 /nfs/dbraw/zinc/85/67/31/433856731.db2.gz YOVXQRNHWODEIC-UHFFFAOYSA-N 0 3 305.418 3.045 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000285058991 433914820 /nfs/dbraw/zinc/91/48/20/433914820.db2.gz DGYYGRPTOKZCGR-HKUYNNGSSA-N 0 3 313.445 3.188 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1CCC1CCCC1 ZINC000362950100 433922871 /nfs/dbraw/zinc/92/28/71/433922871.db2.gz XVOALZIVLGHGNL-QGZVFWFLSA-N 0 3 305.466 3.183 20 30 DGEDHN C#Cc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000377620676 433927677 /nfs/dbraw/zinc/92/76/77/433927677.db2.gz WCCPFMBVRZTIBN-KRWDZBQOSA-N 0 3 324.468 3.138 20 30 DGEDHN CCCCOc1ccc([C@H](C)NCCOCCC#N)cc1OC ZINC000293942423 433932281 /nfs/dbraw/zinc/93/22/81/433932281.db2.gz ZYYNWLZVVAHKEM-HNNXBMFYSA-N 0 3 320.433 3.455 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000436297935 433932829 /nfs/dbraw/zinc/93/28/29/433932829.db2.gz XORRTUBXCUYQHH-LXIYXOSZSA-N 0 3 323.408 3.475 20 30 DGEDHN CCCCOc1ccc([C@@H](C)NCCOCCC#N)cc1OC ZINC000293942427 433933009 /nfs/dbraw/zinc/93/30/09/433933009.db2.gz ZYYNWLZVVAHKEM-OAHLLOKOSA-N 0 3 320.433 3.455 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccccc1)c1cncnc1 ZINC000436307436 433934449 /nfs/dbraw/zinc/93/44/49/433934449.db2.gz KENRBUMPZLIKQJ-NEWSRXKRSA-N 0 3 309.413 3.137 20 30 DGEDHN CCC[C@H](C)C(=O)NCCN[C@H](CC)c1ccc(C#N)cc1 ZINC000293836827 433888108 /nfs/dbraw/zinc/88/81/08/433888108.db2.gz XNJPTIOXVAXTDL-WMLDXEAASA-N 0 3 301.434 3.151 20 30 DGEDHN CCC[C@@H](C)C(=O)NCCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000293836819 433889117 /nfs/dbraw/zinc/88/91/17/433889117.db2.gz XNJPTIOXVAXTDL-PBHICJAKSA-N 0 3 301.434 3.151 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436141910 433891076 /nfs/dbraw/zinc/89/10/76/433891076.db2.gz YBJYNZZDRYNYFO-CZUORRHYSA-N 0 3 323.396 3.025 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1cccs1 ZINC000357326642 433954072 /nfs/dbraw/zinc/95/40/72/433954072.db2.gz GZBHQBAMYXSEIV-CQSZACIVSA-N 0 3 316.386 3.243 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000357328116 433954137 /nfs/dbraw/zinc/95/41/37/433954137.db2.gz WMDJGQZINDFZCM-KRWDZBQOSA-N 0 3 310.357 3.181 20 30 DGEDHN CC(C)[C@@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000293995915 433957471 /nfs/dbraw/zinc/95/74/71/433957471.db2.gz RSFRGQZBXNHHRV-IRXDYDNUSA-N 0 3 309.413 3.134 20 30 DGEDHN N#Cc1ccc(NC(=O)C23CCCN2CCC3)cc1C(F)(F)F ZINC000415220319 433980369 /nfs/dbraw/zinc/98/03/69/433980369.db2.gz DNWMDGTYKRQRGW-UHFFFAOYSA-N 0 3 323.318 3.144 20 30 DGEDHN C=CC[C@H](C(=O)N(C)[C@@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457095670 433986398 /nfs/dbraw/zinc/98/63/98/433986398.db2.gz PZPIKQBKSMMCSK-MSOLQXFVSA-N 0 3 300.446 3.287 20 30 DGEDHN C=CCCc1ccccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415677946 433989490 /nfs/dbraw/zinc/98/94/90/433989490.db2.gz VPKPLPNWGNYXLE-CJNGLKHVSA-N 0 3 317.433 3.040 20 30 DGEDHN C=CCC1(C(=O)NC[C@]2(N(C)C)CCSC2)CCCCC1 ZINC000450040384 433940616 /nfs/dbraw/zinc/94/06/16/433940616.db2.gz HLCDOQONABDNOK-QGZVFWFLSA-N 0 3 310.507 3.067 20 30 DGEDHN C=CCC[C@@H](NC[C@H](C(C)C)N1CCN(C)CC1)c1ccco1 ZINC000285640631 434020881 /nfs/dbraw/zinc/02/08/81/434020881.db2.gz LUFIRDPFGZJEMK-QZTJIDSGSA-N 0 3 319.493 3.149 20 30 DGEDHN C=CCC[C@@H](NC[C@@H](C(C)C)N1CCN(C)CC1)c1ccco1 ZINC000285640626 434022137 /nfs/dbraw/zinc/02/21/37/434022137.db2.gz LUFIRDPFGZJEMK-MSOLQXFVSA-N 0 3 319.493 3.149 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285686161 434041636 /nfs/dbraw/zinc/04/16/36/434041636.db2.gz VDCHBHCXHSJHNX-WFASDCNBSA-N 0 3 312.335 3.399 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CCCCC1 ZINC000450266646 434064921 /nfs/dbraw/zinc/06/49/21/434064921.db2.gz SEAOXDIKCLQBPC-LSDHHAIUSA-N 0 3 310.507 3.017 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294357895 434100122 /nfs/dbraw/zinc/10/01/22/434100122.db2.gz KIYPWGQWCSMIQV-QGZVFWFLSA-N 0 3 318.486 3.321 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000294318392 434081572 /nfs/dbraw/zinc/08/15/72/434081572.db2.gz XSEGRCRVIHFUEX-DYVFJYSZSA-N 0 3 300.377 3.413 20 30 DGEDHN Cc1nn(C)cc1[C@@H]1CCCN1CCCOc1cccc(C#N)c1 ZINC000363548183 434082726 /nfs/dbraw/zinc/08/27/26/434082726.db2.gz WZWQRINSWBAFNN-IBGZPJMESA-N 0 3 324.428 3.206 20 30 DGEDHN CCCCCCCCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000363710192 434122643 /nfs/dbraw/zinc/12/26/43/434122643.db2.gz NWZHSHJZUURKLB-KRWDZBQOSA-N 0 3 310.482 3.107 20 30 DGEDHN CN(C)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000353413255 434116350 /nfs/dbraw/zinc/11/63/50/434116350.db2.gz OZRJUXGMEUGEES-SJORKVTESA-N 0 3 311.454 3.500 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000378333013 434143119 /nfs/dbraw/zinc/14/31/19/434143119.db2.gz HLOUIWJZLSSOLX-RDJZCZTQSA-N 0 3 324.428 3.091 20 30 DGEDHN C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346142288 434147430 /nfs/dbraw/zinc/14/74/30/434147430.db2.gz XHFBFPHPIKAFNA-NJSLBKSFSA-N 0 3 312.388 3.340 20 30 DGEDHN C#CCOc1ccc(CNCc2cc(OCC)ccc2O)cc1 ZINC000294950057 434153702 /nfs/dbraw/zinc/15/37/02/434153702.db2.gz HMXWIVYKQRUYOK-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C#CCOc1ccc(C[NH2+]Cc2cc(OCC)ccc2[O-])cc1 ZINC000294950057 434153712 /nfs/dbraw/zinc/15/37/12/434153712.db2.gz HMXWIVYKQRUYOK-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000457459727 434182480 /nfs/dbraw/zinc/18/24/80/434182480.db2.gz QKZRXSFMYLZSGN-CQSZACIVSA-N 0 3 321.490 3.396 20 30 DGEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286184571 434188723 /nfs/dbraw/zinc/18/87/23/434188723.db2.gz ASAVPHFMHLOFKT-AAEUAGOBSA-N 0 3 324.350 3.035 20 30 DGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C#N)cc1)N(C)C ZINC000357852358 434216472 /nfs/dbraw/zinc/21/64/72/434216472.db2.gz OGAZJMSEZQNRGW-HNAYVOBHSA-N 0 3 321.424 3.288 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423182938 434264773 /nfs/dbraw/zinc/26/47/73/434264773.db2.gz KNBKLIYHJDDLLR-KRWDZBQOSA-N 0 3 316.445 3.165 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000347491696 434268031 /nfs/dbraw/zinc/26/80/31/434268031.db2.gz FZSXHMJYXDOPSC-NOZJJQNGSA-N 0 3 321.218 3.348 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347589505 434269913 /nfs/dbraw/zinc/26/99/13/434269913.db2.gz XVHUZPUROKPOPY-OWCLPIDISA-N 0 3 307.482 3.141 20 30 DGEDHN CCc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000324145714 434273376 /nfs/dbraw/zinc/27/33/76/434273376.db2.gz AEWCKOBWKXEZBZ-KXBFYZLASA-N 0 3 324.424 3.211 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2cccc(C(C)C)c2)CC1 ZINC000457540107 434228957 /nfs/dbraw/zinc/22/89/57/434228957.db2.gz IHOXGSHIFSTWAA-UHFFFAOYSA-N 0 3 300.446 3.119 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000365381863 434297041 /nfs/dbraw/zinc/29/70/41/434297041.db2.gz AQLGPEQXZFGNKM-HZPDHXFCSA-N 0 3 309.331 3.214 20 30 DGEDHN CCN1CCC[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC000328664796 434297321 /nfs/dbraw/zinc/29/73/21/434297321.db2.gz BTTADUSHVVVHTO-HNNXBMFYSA-N 0 3 309.454 3.354 20 30 DGEDHN CCN1CCC[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000328662264 434297698 /nfs/dbraw/zinc/29/76/98/434297698.db2.gz AQQBKRJOVOLARL-ZDUSSCGKSA-N 0 3 307.438 3.346 20 30 DGEDHN C[S@](=O)Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353643557 434297831 /nfs/dbraw/zinc/29/78/31/434297831.db2.gz WWJCOWSZPHWKDM-CVDCTZTESA-N 0 3 324.449 3.214 20 30 DGEDHN CC(C)(CO)[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000348406472 434307391 /nfs/dbraw/zinc/30/73/91/434307391.db2.gz SRMONODRHYBDCC-MRXNPFEDSA-N 0 3 300.427 3.469 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000365832398 434313936 /nfs/dbraw/zinc/31/39/36/434313936.db2.gz WZXLVUZZTJZCIU-KRWDZBQOSA-N 0 3 310.401 3.013 20 30 DGEDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000328859131 434321885 /nfs/dbraw/zinc/32/18/85/434321885.db2.gz ACBVQAWYBSAZLS-BBRMVZONSA-N 0 3 323.343 3.040 20 30 DGEDHN Cc1cccc(C)c1NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328917654 434328528 /nfs/dbraw/zinc/32/85/28/434328528.db2.gz RXARPUAHVNJOOK-KDOFPFPSSA-N 0 3 315.417 3.379 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCCCC1 ZINC000364568365 434276971 /nfs/dbraw/zinc/27/69/71/434276971.db2.gz VOQGGSRBTAEYIU-KRWDZBQOSA-N 0 3 302.462 3.047 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390747640 434368155 /nfs/dbraw/zinc/36/81/55/434368155.db2.gz AZIFSPLUVBDTIX-KRWDZBQOSA-N 0 3 313.445 3.097 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000329175212 434370242 /nfs/dbraw/zinc/37/02/42/434370242.db2.gz BLMWWGRQFUARGT-JKIFEVAISA-N 0 3 318.417 3.046 20 30 DGEDHN CN1CC=C(CNC(=O)CNC(=O)CC2CCCCC2)CC1 ZINC000329214511 434373247 /nfs/dbraw/zinc/37/32/47/434373247.db2.gz LFLUUUBFYLUCCQ-UHFFFAOYSA-N 0 3 307.438 3.132 20 30 DGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1conc1C1CC1 ZINC000329216341 434375533 /nfs/dbraw/zinc/37/55/33/434375533.db2.gz OHPGRAUORDOSFX-XQQFMLRXSA-N 0 3 305.422 3.223 20 30 DGEDHN CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C)C2=CCN(C)CC2)s1 ZINC000329261784 434382431 /nfs/dbraw/zinc/38/24/31/434382431.db2.gz AYWFIAXQIIZZSC-ZYHUDNBSSA-N 0 3 323.462 3.114 20 30 DGEDHN CC(C)(CNC(=O)c1cc(C#N)ccc1Cl)N1CCCCC1 ZINC000348497586 434353800 /nfs/dbraw/zinc/35/38/00/434353800.db2.gz VFBOFPZRKNBSKK-UHFFFAOYSA-N 0 3 319.836 3.206 20 30 DGEDHN C[C@H](NC[C@H]1COCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450715544 434360642 /nfs/dbraw/zinc/36/06/42/434360642.db2.gz IPADPZSVFWSBSV-YWZLYKJASA-N 0 3 322.408 3.291 20 30 DGEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)nc1C ZINC000458011984 434443138 /nfs/dbraw/zinc/44/31/38/434443138.db2.gz RIHFYQXDBNVWCW-QGZVFWFLSA-N 0 3 307.397 3.087 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2nc[nH]c2cc1F ZINC000329399196 434404843 /nfs/dbraw/zinc/40/48/43/434404843.db2.gz VKONBNAVQLRYQK-NEPJUHHUSA-N 0 3 318.396 3.127 20 30 DGEDHN CC[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000329425453 434408527 /nfs/dbraw/zinc/40/85/27/434408527.db2.gz IWCXMUKZRAHGBO-WCQYABFASA-N 0 3 323.462 3.157 20 30 DGEDHN CC[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000359079706 434412295 /nfs/dbraw/zinc/41/22/95/434412295.db2.gz XFAPSUDSRBCLFT-OALUTQOASA-N 0 3 319.408 3.404 20 30 DGEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000353774922 434419050 /nfs/dbraw/zinc/41/90/50/434419050.db2.gz JYYWFDBMXJINJZ-KCTSRDHCSA-N 0 3 317.408 3.041 20 30 DGEDHN C[C@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000423444489 434429289 /nfs/dbraw/zinc/42/92/89/434429289.db2.gz XQZZFOVDHFTJJZ-ORAYPTAESA-N 0 3 309.388 3.235 20 30 DGEDHN Cc1noc(C2CC2)c1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000329768083 434476186 /nfs/dbraw/zinc/47/61/86/434476186.db2.gz GGGPEKUUZYQRIR-GFCCVEGCSA-N 0 3 320.437 3.068 20 30 DGEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000329882041 434499537 /nfs/dbraw/zinc/49/95/37/434499537.db2.gz PIPCZANQOJNRLL-SGIREYDYSA-N 0 3 307.438 3.103 20 30 DGEDHN Cc1nc(N[C@@H](C)CN2CCC[C@H](C)C2)c(Cl)cc1C#N ZINC000359906554 434453832 /nfs/dbraw/zinc/45/38/32/434453832.db2.gz VUWPGRKVNADDTG-RYUDHWBXSA-N 0 3 306.841 3.447 20 30 DGEDHN C=CCOCCCN1CCCN(c2ccccc2Cl)CC1 ZINC000450998731 434526310 /nfs/dbraw/zinc/52/63/10/434526310.db2.gz LVJOPHLNZBMBBE-UHFFFAOYSA-N 0 3 308.853 3.445 20 30 DGEDHN C[C@]1(NCc2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000406044143 434528917 /nfs/dbraw/zinc/52/89/17/434528917.db2.gz TZAHOGIRMDJPNJ-SFHVURJKSA-N 0 3 311.454 3.374 20 30 DGEDHN Cc1ccsc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000348894717 434544676 /nfs/dbraw/zinc/54/46/76/434544676.db2.gz OZBIDOHBBXGIAQ-UHFFFAOYSA-N 0 3 313.470 3.492 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000367467361 434548606 /nfs/dbraw/zinc/54/86/06/434548606.db2.gz NLRJPVYPWKYBJB-QGZVFWFLSA-N 0 3 311.429 3.365 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451148323 434557182 /nfs/dbraw/zinc/55/71/82/434557182.db2.gz PRYQJHYQEABQLH-BFHYXJOUSA-N 0 3 320.399 3.462 20 30 DGEDHN C#CCCOc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000368234062 434570530 /nfs/dbraw/zinc/57/05/30/434570530.db2.gz IUCSMIIHBFNAPM-LJQANCHMSA-N 0 3 313.441 3.337 20 30 DGEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H]2CCC23CCCC3)c(C#N)c1C ZINC000451459494 434568493 /nfs/dbraw/zinc/56/84/93/434568493.db2.gz QLKYHJZKPKAYJM-IUODEOHRSA-N 0 3 315.417 3.408 20 30 DGEDHN COc1cc(CN[C@H](C)[C@H]2COc3ccccc32)ccc1C#N ZINC000368516859 434577559 /nfs/dbraw/zinc/57/75/59/434577559.db2.gz DWZANTNRHNHKQD-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN Cc1cc(O)c(CN2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000369113492 434588106 /nfs/dbraw/zinc/58/81/06/434588106.db2.gz SIFSNYXKXNZUJG-UHFFFAOYSA-N 0 3 321.424 3.461 20 30 DGEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]1c1ccsc1 ZINC000329545315 295384272 /nfs/dbraw/zinc/38/42/72/295384272.db2.gz GMZXHPRGZYITHH-IUODEOHRSA-N 0 3 316.430 3.080 20 30 DGEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]1c1ccsc1 ZINC000329545315 295384275 /nfs/dbraw/zinc/38/42/75/295384275.db2.gz GMZXHPRGZYITHH-IUODEOHRSA-N 0 3 316.430 3.080 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000424083569 434616725 /nfs/dbraw/zinc/61/67/25/434616725.db2.gz CZPHYUGLTZGCBX-GJZGRUSLSA-N 0 3 305.809 3.025 20 30 DGEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@H](CC)c1ccccc1 ZINC000424084162 434616835 /nfs/dbraw/zinc/61/68/35/434616835.db2.gz DOAVDXYYHGVTAA-IAGOWNOFSA-N 0 3 301.434 3.397 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000424085171 434617219 /nfs/dbraw/zinc/61/72/19/434617219.db2.gz FOCAFNCWWMJRQH-HUUCEWRRSA-N 0 3 305.809 3.025 20 30 DGEDHN C=CCC1(CNC(=O)NC[C@@H](N)c2ccccc2)CCCC1 ZINC000418256739 434618194 /nfs/dbraw/zinc/61/81/94/434618194.db2.gz MQBJBUDHZJEHBD-MRXNPFEDSA-N 0 3 301.434 3.122 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000424086838 434619393 /nfs/dbraw/zinc/61/93/93/434619393.db2.gz HDODSMLMIBZGFC-ZWKOTPCHSA-N 0 3 311.429 3.076 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000424092062 434620872 /nfs/dbraw/zinc/62/08/72/434620872.db2.gz PHOSRCLMPSGQGV-CABCVRRESA-N 0 3 305.809 3.025 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc(Cl)ccc1Cl ZINC000424104881 434622265 /nfs/dbraw/zinc/62/22/65/434622265.db2.gz VCAIYAPNAGAESZ-ZANVPECISA-N 0 3 314.216 3.192 20 30 DGEDHN CCCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424113756 434624663 /nfs/dbraw/zinc/62/46/63/434624663.db2.gz OIPCUZHPAFSRJC-IRXDYDNUSA-N 0 3 317.433 3.064 20 30 DGEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424110645 434625415 /nfs/dbraw/zinc/62/54/15/434625415.db2.gz FEAMNMMDXCZKQM-KZNAEPCWSA-N 0 3 313.445 3.192 20 30 DGEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000424108210 434625984 /nfs/dbraw/zinc/62/59/84/434625984.db2.gz WCOIALKOKPUNAC-HIFRSBDPSA-N 0 3 313.401 3.363 20 30 DGEDHN Cc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCC#N)cn2)cc1 ZINC000424131609 434629861 /nfs/dbraw/zinc/62/98/61/434629861.db2.gz JJHLOZIVTMXXRY-MRXNPFEDSA-N 0 3 324.384 3.142 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000370976425 434629927 /nfs/dbraw/zinc/62/99/27/434629927.db2.gz OYAPYUJLINPPMZ-ZFWWWQNUSA-N 0 3 302.418 3.173 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000424128888 434630821 /nfs/dbraw/zinc/63/08/21/434630821.db2.gz ROZOPWPIDGNQLC-LJQANCHMSA-N 0 3 321.424 3.033 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418356442 434634879 /nfs/dbraw/zinc/63/48/79/434634879.db2.gz PYXFYPHUFFRRPF-KRWDZBQOSA-N 0 3 301.434 3.193 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)[C@H](CC)C2)C1=O ZINC000410390121 434645706 /nfs/dbraw/zinc/64/57/06/434645706.db2.gz OOLHHEGDKBVOQJ-QRQLOZEOSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](Cc2ccccc2)c2ccccc2)C1=O ZINC000410416225 434645977 /nfs/dbraw/zinc/64/59/77/434645977.db2.gz GNOOQTPHSQJRLS-PMACEKPBSA-N 0 3 320.436 3.347 20 30 DGEDHN N#Cc1ccc(CN[C@H](CC(N)=O)C2CCCCC2)c(Cl)c1 ZINC000439444151 434603595 /nfs/dbraw/zinc/60/35/95/434603595.db2.gz BJBGHXYTCYDYBB-MRXNPFEDSA-N 0 3 319.836 3.126 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418148282 434605078 /nfs/dbraw/zinc/60/50/78/434605078.db2.gz NTJDUWKDLWWBQF-QZTJIDSGSA-N 0 3 311.429 3.494 20 30 DGEDHN CCN1CCCC[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371408478 434692700 /nfs/dbraw/zinc/69/27/00/434692700.db2.gz HMCPTBLMJGLIRK-IBGZPJMESA-N 0 3 323.440 3.048 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418646921 434694466 /nfs/dbraw/zinc/69/44/66/434694466.db2.gz XNHOVLMRESMAFG-SFHVURJKSA-N 0 3 315.461 3.261 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418446399 434653349 /nfs/dbraw/zinc/65/33/49/434653349.db2.gz ICYOEJAPHQPEJZ-SFHVURJKSA-N 0 3 315.461 3.464 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCc2cccnc2)C1 ZINC000424203778 434655835 /nfs/dbraw/zinc/65/58/35/434655835.db2.gz UWIDZHOVLWDOSK-QAPCUYQASA-N 0 3 307.397 3.442 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCc2ccccn2)C1 ZINC000424208646 434658534 /nfs/dbraw/zinc/65/85/34/434658534.db2.gz YMCHSPPPNBDDSU-WBVHZDCISA-N 0 3 307.397 3.442 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CCCCC1 ZINC000410584552 434658968 /nfs/dbraw/zinc/65/89/68/434658968.db2.gz AXXRJEJSWUZQNY-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCC12CCN(C)CC2)c1ccccc1 ZINC000371315893 434670131 /nfs/dbraw/zinc/67/01/31/434670131.db2.gz XWIPXUSWURDLPS-QGZVFWFLSA-N 0 3 312.457 3.433 20 30 DGEDHN CC(C)(CC#N)CNCc1cnc2ccc(Br)cn12 ZINC000459737800 434686450 /nfs/dbraw/zinc/68/64/50/434686450.db2.gz WVVWAYFWCFVILO-UHFFFAOYSA-N 0 3 321.222 3.126 20 30 DGEDHN CCCN(CC(C)C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411204466 434745313 /nfs/dbraw/zinc/74/53/13/434745313.db2.gz WMVKYUNXCFAFHQ-ZDUSSCGKSA-N 0 3 305.422 3.463 20 30 DGEDHN COc1cc(CNCCO[C@H]2CCCC[C@H]2C)ccc1C#N ZINC000440811507 434747783 /nfs/dbraw/zinc/74/77/83/434747783.db2.gz YJHTXINSIAUCLM-PBHICJAKSA-N 0 3 302.418 3.252 20 30 DGEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000459779087 434715742 /nfs/dbraw/zinc/71/57/42/434715742.db2.gz WVUYKFSISOVUEI-LSDHHAIUSA-N 0 3 322.355 3.207 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000371500840 434720692 /nfs/dbraw/zinc/72/06/92/434720692.db2.gz RRQJJLWZANRLEJ-GOSISDBHSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCc1cc(CN[C@H]2C[C@@H](OC)C23CCC3)cc(OC)c1O ZINC000459796043 434724967 /nfs/dbraw/zinc/72/49/67/434724967.db2.gz VZBRAUYBAOYBGH-DLBZAZTESA-N 0 3 317.429 3.177 20 30 DGEDHN Cc1noc([C@H]2CCCN(CCC3(C#N)CCCCC3)C2)n1 ZINC000411183223 434740286 /nfs/dbraw/zinc/74/02/86/434740286.db2.gz CVONBMLNFLEDKF-HNNXBMFYSA-N 0 3 302.422 3.422 20 30 DGEDHN CCCN(CC(C)C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411196345 434742698 /nfs/dbraw/zinc/74/26/98/434742698.db2.gz BKSJSYRYGNGYEH-AWEZNQCLSA-N 0 3 305.447 3.093 20 30 DGEDHN COc1cc(N[C@H]2CCCN([C@H](C)CCC#N)C2)cc(OC)c1 ZINC000411382951 434769895 /nfs/dbraw/zinc/76/98/95/434769895.db2.gz LASFOCQRUVSADP-CABCVRRESA-N 0 3 317.433 3.272 20 30 DGEDHN C=C(C)Cn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)C ZINC000460367614 434757017 /nfs/dbraw/zinc/75/70/17/434757017.db2.gz BPNOWPRGDQAJBN-CABCVRRESA-N 0 3 319.497 3.071 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000424721273 434788247 /nfs/dbraw/zinc/78/82/47/434788247.db2.gz LIVCAZKIUIXVIQ-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000424779156 434802182 /nfs/dbraw/zinc/80/21/82/434802182.db2.gz WHRDOMNJHINRKB-UHFFFAOYSA-N 0 3 317.433 3.095 20 30 DGEDHN Cc1cc([C@H](C)NCCC(=O)Nc2ccccc2C#N)c(C)o1 ZINC000411516781 434794535 /nfs/dbraw/zinc/79/45/35/434794535.db2.gz DDBHZRJXZZPASH-ZDUSSCGKSA-N 0 3 311.385 3.448 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411611705 434808551 /nfs/dbraw/zinc/80/85/51/434808551.db2.gz KSRJTDFLTLSKHG-INIZCTEOSA-N 0 3 313.445 3.294 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000411638285 434810078 /nfs/dbraw/zinc/81/00/78/434810078.db2.gz HCWATBWTOIXMBD-QGZVFWFLSA-N 0 3 317.477 3.070 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1CC ZINC000411636678 434810732 /nfs/dbraw/zinc/81/07/32/434810732.db2.gz DTBBQEHOLNGFDR-MRXNPFEDSA-N 0 3 317.477 3.016 20 30 DGEDHN N#CC1(CCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000411641102 434812035 /nfs/dbraw/zinc/81/20/35/434812035.db2.gz WTDWCDKWWDDJJN-UONOGXRCSA-N 0 3 318.383 3.486 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(C(F)(F)F)cn1 ZINC000411642086 434812097 /nfs/dbraw/zinc/81/20/97/434812097.db2.gz GRASFOFIHFIJCO-UHFFFAOYSA-N 0 3 301.356 3.040 20 30 DGEDHN C[C@H](CCC#N)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000411647125 434812572 /nfs/dbraw/zinc/81/25/72/434812572.db2.gz NQPDWVHMAHRKLO-HZPDHXFCSA-N 0 3 308.429 3.438 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cccc(C(=O)OC)c1Cl ZINC000411644110 434813541 /nfs/dbraw/zinc/81/35/41/434813541.db2.gz IXMVWUMUXXELBM-UHFFFAOYSA-N 0 3 324.852 3.066 20 30 DGEDHN N#Cc1ccccc1OCCN1CCSC2(CCC2)CC1 ZINC000411866597 434837334 /nfs/dbraw/zinc/83/73/34/434837334.db2.gz HRESIAQRCNVWIQ-UHFFFAOYSA-N 0 3 302.443 3.299 20 30 DGEDHN CSc1ccccc1OC[C@@H](O)CN(CCCC#N)C(C)C ZINC000411989794 434852505 /nfs/dbraw/zinc/85/25/05/434852505.db2.gz UWJSHRQNPWIXOT-HNNXBMFYSA-N 0 3 322.474 3.162 20 30 DGEDHN CC(C)c1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000573318411 434888753 /nfs/dbraw/zinc/88/87/53/434888753.db2.gz ZYUVYKHKMAEHRV-IBGZPJMESA-N 0 3 324.424 3.211 20 30 DGEDHN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(CCC#N)CC1 ZINC000573482385 434903062 /nfs/dbraw/zinc/90/30/62/434903062.db2.gz BFICCEBDGYQFBG-HNNXBMFYSA-N 0 3 305.466 3.182 20 30 DGEDHN CCCCN(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000574147105 434953815 /nfs/dbraw/zinc/95/38/15/434953815.db2.gz PTXVJRAXHLPUCM-SFHVURJKSA-N 0 3 311.429 3.318 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000522467686 434923859 /nfs/dbraw/zinc/92/38/59/434923859.db2.gz YJRIZKIOCSZWRG-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN COc1cccc([C@@H](CNCc2ccc(C#N)c(F)c2)OC)c1 ZINC000527732821 435014253 /nfs/dbraw/zinc/01/42/53/435014253.db2.gz ABJPHUAGZMVEKH-GOSISDBHSA-N 0 3 314.360 3.183 20 30 DGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000556760109 435022896 /nfs/dbraw/zinc/02/28/96/435022896.db2.gz RWOOWEIADGHYAF-MOPGFXCFSA-N 0 3 312.461 3.176 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000465262525 435023213 /nfs/dbraw/zinc/02/32/13/435023213.db2.gz LVMACNDJDAUZDG-LSDHHAIUSA-N 0 3 302.418 3.373 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)nc21 ZINC000528952442 435031073 /nfs/dbraw/zinc/03/10/73/435031073.db2.gz AHEAWYOKJGRJRQ-VVSAWPALSA-N 0 3 311.385 3.107 20 30 DGEDHN Cc1ccccc1C(C)(C)NCC(=O)Nc1cccc(C#N)c1 ZINC000555611837 434980827 /nfs/dbraw/zinc/98/08/27/434980827.db2.gz DERZJBGAIRQPQJ-UHFFFAOYSA-N 0 3 307.397 3.330 20 30 DGEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000464726880 434995349 /nfs/dbraw/zinc/99/53/49/434995349.db2.gz ALTOVKJHRLFFIB-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN CCC[C@@]1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000464843518 435006163 /nfs/dbraw/zinc/00/61/63/435006163.db2.gz VNXZWXZOTDCWHW-IBGZPJMESA-N 0 3 313.445 3.077 20 30 DGEDHN CC(C)C[C@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000525410725 435007918 /nfs/dbraw/zinc/00/79/18/435007918.db2.gz LFAGNBLJNBPGCR-SJLPKXTDSA-N 0 3 307.482 3.332 20 30 DGEDHN N#CC1(NC(=O)CN2CCC[C@H]2CCC2CCCCC2)CCC1 ZINC000527128037 435010139 /nfs/dbraw/zinc/01/01/39/435010139.db2.gz AOHRQVVXNXOASK-KRWDZBQOSA-N 0 3 317.477 3.374 20 30 DGEDHN Cc1cccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)(C)C)c1 ZINC000527377460 435011499 /nfs/dbraw/zinc/01/14/99/435011499.db2.gz VUUVIFPEVHYMJL-QGZVFWFLSA-N 0 3 313.445 3.234 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000576938413 435058827 /nfs/dbraw/zinc/05/88/27/435058827.db2.gz UJEXJHQHFNYJET-XWIAVFTESA-N 0 3 310.397 3.100 20 30 DGEDHN COC1(CN2CCC(C#N)(c3ccccn3)CC2)CCCCC1 ZINC000577362520 435059549 /nfs/dbraw/zinc/05/95/49/435059549.db2.gz FHVXZQXBERXJEP-UHFFFAOYSA-N 0 3 313.445 3.288 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC(C)(C)C)CC(C)(C)C ZINC000557571768 435059720 /nfs/dbraw/zinc/05/97/20/435059720.db2.gz NMAAMYISTGMLQM-OAHLLOKOSA-N 0 3 309.498 3.389 20 30 DGEDHN C=CCCCC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000577287074 435060047 /nfs/dbraw/zinc/06/00/47/435060047.db2.gz UZAGVGVGTZZZGN-OAHLLOKOSA-N 0 3 308.853 3.458 20 30 DGEDHN CCCCN1CCCC[C@H]1CNc1nccc(C#N)c1Cl ZINC000577378632 435061216 /nfs/dbraw/zinc/06/12/16/435061216.db2.gz CJQGEGAAXSEJFD-AWEZNQCLSA-N 0 3 306.841 3.673 20 30 DGEDHN CC(C)(CC#N)CNC[C@H](O)COc1cccc2ccccc21 ZINC000575797416 435053361 /nfs/dbraw/zinc/05/33/61/435053361.db2.gz VWUNARGRNBVTKP-INIZCTEOSA-N 0 3 312.413 3.109 20 30 DGEDHN Cc1nc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)oc1C ZINC000576093690 435054406 /nfs/dbraw/zinc/05/44/06/435054406.db2.gz OVFVJGVKGPPTKQ-JTQLQIEISA-N 0 3 318.402 3.291 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000576350838 435056228 /nfs/dbraw/zinc/05/62/28/435056228.db2.gz OSYSOWZXFXWGNN-UZLBHIALSA-N 0 3 320.436 3.350 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1COCc2ccccc21 ZINC000576728761 435056725 /nfs/dbraw/zinc/05/67/25/435056725.db2.gz XVLZIDAHNUKYBZ-APWZRJJASA-N 0 3 320.392 3.147 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000466783669 435092603 /nfs/dbraw/zinc/09/26/03/435092603.db2.gz ZIZRSJMQYHYSEH-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471115309 435136617 /nfs/dbraw/zinc/13/66/17/435136617.db2.gz YGPGQAGTDKDOST-DLBZAZTESA-N 0 3 309.413 3.135 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H]2Cc2ccccc2)cc1 ZINC000533024050 435205823 /nfs/dbraw/zinc/20/58/23/435205823.db2.gz XDSCTXXJJBYIRA-IBGZPJMESA-N 0 3 319.408 3.204 20 30 DGEDHN CC(C)C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000475910763 435215784 /nfs/dbraw/zinc/21/57/84/435215784.db2.gz KNHADTGMXXZVAX-KRWDZBQOSA-N 0 3 315.461 3.194 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)CO1 ZINC000580430702 435233509 /nfs/dbraw/zinc/23/35/09/435233509.db2.gz RKBBUCHUBANDOD-DNVCBOLYSA-N 0 3 322.408 3.404 20 30 DGEDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CCC1 ZINC000496629177 435233555 /nfs/dbraw/zinc/23/35/55/435233555.db2.gz YRGHVQFCISTEIX-GJZGRUSLSA-N 0 3 321.465 3.305 20 30 DGEDHN C=C(C)CN1CCC(c2c(OC)cc(OC)cc2OC)CC1 ZINC000642527221 435234700 /nfs/dbraw/zinc/23/47/00/435234700.db2.gz XTJUKKZEKLKIAA-UHFFFAOYSA-N 0 3 305.418 3.468 20 30 DGEDHN CCN(Cc1ccc(C(=O)Nc2cccc(C#N)n2)cc1)C1CC1 ZINC000583873167 435251598 /nfs/dbraw/zinc/25/15/98/435251598.db2.gz DTTLYRMQAOJOCL-UHFFFAOYSA-N 0 3 320.396 3.190 20 30 DGEDHN C[C@H](CCC#N)CN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000639348096 435257978 /nfs/dbraw/zinc/25/79/78/435257978.db2.gz UFSRHJZXRHLERL-BEFAXECRSA-N 0 3 312.413 3.426 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000533706807 435252549 /nfs/dbraw/zinc/25/25/49/435252549.db2.gz AZTASIZUUPAIMG-CQSZACIVSA-N 0 3 320.864 3.285 20 30 DGEDHN CC(C)NC(=O)OC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000496781106 435254088 /nfs/dbraw/zinc/25/40/88/435254088.db2.gz JRXMGTLEFWNDOL-OAHLLOKOSA-N 0 3 309.454 3.305 20 30 DGEDHN C=CCn1c(SCCN2C[C@@H](C)C[C@H](C)C2)nnc1C1CC1 ZINC000584183644 435284019 /nfs/dbraw/zinc/28/40/19/435284019.db2.gz PXLCBTCFRIDGRR-KBPBESRZSA-N 0 3 320.506 3.412 20 30 DGEDHN Cc1csc(NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000567176427 435293285 /nfs/dbraw/zinc/29/32/85/435293285.db2.gz FAPNKPBMWKMTON-DGCLKSJQSA-N 0 3 320.462 3.170 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CO1 ZINC000567165890 435294311 /nfs/dbraw/zinc/29/43/11/435294311.db2.gz AVPQFSPIXYICFM-DNVCBOLYSA-N 0 3 322.408 3.404 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCC1(C#N)CCC1 ZINC000497104371 435297883 /nfs/dbraw/zinc/29/78/83/435297883.db2.gz BQYLOLDUTGZSOQ-GJZGRUSLSA-N 0 3 321.465 3.353 20 30 DGEDHN CC(C)CN1CCCC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000567323071 435307307 /nfs/dbraw/zinc/30/73/07/435307307.db2.gz MYAHNNPEHUBPLC-QFBILLFUSA-N 0 3 317.477 3.087 20 30 DGEDHN N#Cc1ccccc1N1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000506357416 435308519 /nfs/dbraw/zinc/30/85/19/435308519.db2.gz RBABLFBWCDLWQH-VQTJNVASSA-N 0 3 317.436 3.484 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@H](COc2ccccc2)C1 ZINC000505856285 435308741 /nfs/dbraw/zinc/30/87/41/435308741.db2.gz ISTXKJAZWIHUPW-KRWDZBQOSA-N 0 3 322.408 3.468 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]cc1C1CC1)C(C)C ZINC000639517828 435326352 /nfs/dbraw/zinc/32/63/52/435326352.db2.gz PHIJCNDCQWHMBL-GOSISDBHSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(CNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000479394912 435330143 /nfs/dbraw/zinc/33/01/43/435330143.db2.gz ULXINXHNTXTVBY-WBVHZDCISA-N 0 3 315.461 3.119 20 30 DGEDHN C[C@@H](CNc1nc(C#N)c(Cl)s1)N(C)Cc1ccccc1 ZINC000596120733 435312124 /nfs/dbraw/zinc/31/21/24/435312124.db2.gz SHZISGSPNJBFEI-NSHDSACASA-N 0 3 320.849 3.601 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536697101 435404043 /nfs/dbraw/zinc/40/40/43/435404043.db2.gz JUGFDMJINALJRC-MRXNPFEDSA-N 0 3 317.429 3.415 20 30 DGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000269118916 298572840 /nfs/dbraw/zinc/57/28/40/298572840.db2.gz JAQHMFFHCXUVSS-GFCCVEGCSA-N 0 3 320.824 3.208 20 30 DGEDHN C=CCN(CCc1ccco1)CCc1ccccc1C(=O)OC ZINC000481028767 435405770 /nfs/dbraw/zinc/40/57/70/435405770.db2.gz XVXMDUYNHZMHHD-UHFFFAOYSA-N 0 3 313.397 3.339 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2cccc(F)c2F)o1 ZINC000480305884 435374037 /nfs/dbraw/zinc/37/40/37/435374037.db2.gz IOFNIDSPOAWUPL-GFCCVEGCSA-N 0 3 307.340 3.499 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1ccc(CC#N)cc1 ZINC000568685459 435461811 /nfs/dbraw/zinc/46/18/11/435461811.db2.gz YVGDUMNZMFLMFE-UHFFFAOYSA-N 0 3 322.412 3.422 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1C(C)C ZINC000568357035 435427263 /nfs/dbraw/zinc/42/72/63/435427263.db2.gz FMDPQTYULFVKKV-SJORKVTESA-N 0 3 302.418 3.072 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000514837565 435441789 /nfs/dbraw/zinc/44/17/89/435441789.db2.gz ULWIWQLVIQKYOC-QZTJIDSGSA-N 0 3 314.429 3.164 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C)C1 ZINC000483269422 435505918 /nfs/dbraw/zinc/50/59/18/435505918.db2.gz LLDLIPVTROGXAO-RKVPGOIHSA-N 0 3 307.482 3.187 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000649095737 435511768 /nfs/dbraw/zinc/51/17/68/435511768.db2.gz VIOLUNFYVJOGEN-MRXNPFEDSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000637622216 435487795 /nfs/dbraw/zinc/48/77/95/435487795.db2.gz ZIFACQSTTAFIJI-HZPDHXFCSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000539779601 435568154 /nfs/dbraw/zinc/56/81/54/435568154.db2.gz XOTGVJQQCDGFPQ-NJAFHUGGSA-N 0 3 315.461 3.476 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000649357170 435568599 /nfs/dbraw/zinc/56/85/99/435568599.db2.gz PHCMMJOUNDUKKO-HIFRSBDPSA-N 0 3 302.443 3.413 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000649357171 435569208 /nfs/dbraw/zinc/56/92/08/435569208.db2.gz PHCMMJOUNDUKKO-UKRRQHHQSA-N 0 3 302.443 3.413 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000517270264 435587372 /nfs/dbraw/zinc/58/73/72/435587372.db2.gz CMFYINYYVFJIMF-UHFFFAOYSA-N 0 3 319.836 3.063 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000540629485 435611077 /nfs/dbraw/zinc/61/10/77/435611077.db2.gz UIEXNTIYOBEZDN-INIZCTEOSA-N 0 3 303.793 3.197 20 30 DGEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000486798131 435615770 /nfs/dbraw/zinc/61/57/70/435615770.db2.gz JYAKZIOLIOLVMN-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H]1CN(c2c(F)cc(C#N)cc2F)CCN(C2CCC2)C1 ZINC000488762980 435641685 /nfs/dbraw/zinc/64/16/85/435641685.db2.gz DTIKKISQSQHJOV-GFCCVEGCSA-N 0 3 305.372 3.147 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCC[C@@H]1C ZINC000519666224 435697443 /nfs/dbraw/zinc/69/74/43/435697443.db2.gz AYSUYGKIDWVINJ-STQMWFEESA-N 0 3 319.836 3.204 20 30 DGEDHN FC(F)(F)C(F)(F)COCCN1CCC2(CC2(F)F)CC1 ZINC000649773907 435699042 /nfs/dbraw/zinc/69/90/42/435699042.db2.gz KMGNYHBIKDXBOB-UHFFFAOYSA-N 0 3 323.252 3.322 20 30 DGEDHN C#C[C@H](NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1F ZINC000491375174 435736642 /nfs/dbraw/zinc/73/66/42/435736642.db2.gz UXKHYUBYXMRQRN-KRWDZBQOSA-N 0 3 306.812 3.370 20 30 DGEDHN CCN(Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1)C1CC1 ZINC000520518852 435754166 /nfs/dbraw/zinc/75/41/66/435754166.db2.gz NZQMKRYGLFKXSY-UHFFFAOYSA-N 0 3 311.429 3.237 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@]2(C)Cc2cccc(F)c2)C1=O ZINC000571556212 435716187 /nfs/dbraw/zinc/71/61/87/435716187.db2.gz LOMWAJXXAJZGKM-HKUYNNGSSA-N 0 3 316.420 3.010 20 30 DGEDHN C#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000491793823 435813752 /nfs/dbraw/zinc/81/37/52/435813752.db2.gz NMSFZJMOTYKKBR-KRWDZBQOSA-N 0 3 316.832 3.005 20 30 DGEDHN C=CC[C@H]1CC[C@@H](NCc2cc(C)nc(N3CCCC3)n2)C1 ZINC000651816555 435838468 /nfs/dbraw/zinc/83/84/68/435838468.db2.gz ZNFFUJJHOUIOCA-JKSUJKDBSA-N 0 3 300.450 3.220 20 30 DGEDHN C[C@H]1C[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2nccn21 ZINC000572590531 435843232 /nfs/dbraw/zinc/84/32/32/435843232.db2.gz ZRKLMBJECLZDDI-KSSFIOAISA-N 0 3 321.428 3.019 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC23CCCCC3)CC1 ZINC000660707704 435864396 /nfs/dbraw/zinc/86/43/96/435864396.db2.gz RGQLLCACBOGBMU-QGZVFWFLSA-N 0 3 319.493 3.439 20 30 DGEDHN C=CCCC1(CNC(=O)NC[C@@H]2CCCN(C)C2)CCCC1 ZINC000660848447 435910172 /nfs/dbraw/zinc/91/01/72/435910172.db2.gz WWHWUPBXQYYKCG-INIZCTEOSA-N 0 3 307.482 3.154 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000660867741 435911730 /nfs/dbraw/zinc/91/17/30/435911730.db2.gz FSKRBGKOIXDESH-ANQUJSFKSA-N 0 3 305.466 3.046 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2ccccc2c(=O)n1C ZINC000661115913 435968961 /nfs/dbraw/zinc/96/89/61/435968961.db2.gz GHWSCQDKQGJYRC-ZBFHGGJFSA-N 0 3 311.429 3.158 20 30 DGEDHN C=CCN(Cc1ccc(OC(F)F)c(OC)c1)[C@@H](C)COC ZINC000661247428 436009781 /nfs/dbraw/zinc/00/97/81/436009781.db2.gz OSHNLVIKOCHUCK-LBPRGKRZSA-N 0 3 315.360 3.320 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000661380703 436048018 /nfs/dbraw/zinc/04/80/18/436048018.db2.gz IUPWEBOOPOCAIC-UONOGXRCSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000661379572 436049307 /nfs/dbraw/zinc/04/93/07/436049307.db2.gz ZUZQWPOHCUCULY-CABCVRRESA-N 0 3 306.475 3.083 20 30 DGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000661378277 436049830 /nfs/dbraw/zinc/04/98/30/436049830.db2.gz BMALSJHAFAOLTG-LSDHHAIUSA-N 0 3 318.486 3.309 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC1CCN(C)CC1 ZINC000661415923 436059338 /nfs/dbraw/zinc/05/93/38/436059338.db2.gz VHMUTRMKMVVSHM-SJORKVTESA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCN1CCC(NC(=O)c2c(Cl)oc3ccccc32)CC1 ZINC000651273782 436158440 /nfs/dbraw/zinc/15/84/40/436158440.db2.gz YTNRBVFIHPLZJO-UHFFFAOYSA-N 0 3 318.804 3.466 20 30 DGEDHN C=CCCn1cc(CNC[C@H](Cc2ccccc2)C(C)C)nn1 ZINC000657444560 436204403 /nfs/dbraw/zinc/20/44/03/436204403.db2.gz DJRZUJIXDKJXPH-SFHVURJKSA-N 0 3 312.461 3.459 20 30 DGEDHN C=CCC1(NCC(=O)Nc2nc(CC)c(C)s2)CCCC1 ZINC000661852528 436209903 /nfs/dbraw/zinc/20/99/03/436209903.db2.gz XYKGUUZQWVSQES-UHFFFAOYSA-N 0 3 307.463 3.431 20 30 DGEDHN C=CCCn1cc(CN[C@](C)(Cc2ccccc2)C2CC2)nn1 ZINC000657486913 436223185 /nfs/dbraw/zinc/22/31/85/436223185.db2.gz LPBFGNGWTJDTLQ-LJQANCHMSA-N 0 3 310.445 3.355 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000661948322 436232553 /nfs/dbraw/zinc/23/25/53/436232553.db2.gz OHZWNULHQBTVGL-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1Cl ZINC000657707612 436287131 /nfs/dbraw/zinc/28/71/31/436287131.db2.gz VDZCQRQYFPAQLP-CVEARBPZSA-N 0 3 307.821 3.298 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000662081241 436268744 /nfs/dbraw/zinc/26/87/44/436268744.db2.gz NWWXVDXGSWPJQZ-JCGIZDLHSA-N 0 3 316.420 3.356 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H]1CCCn2nccc21)C(C)C ZINC000657835933 436322286 /nfs/dbraw/zinc/32/22/86/436322286.db2.gz RRZPDFDQLKAARM-WMZOPIPTSA-N 0 3 302.466 3.006 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccccc1 ZINC000657850723 436327087 /nfs/dbraw/zinc/32/70/87/436327087.db2.gz LAHMVOABJCLEQY-NVXWUHKLSA-N 0 3 307.459 3.185 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000658333152 436433273 /nfs/dbraw/zinc/43/32/73/436433273.db2.gz NDTJIYQGRBAFBD-JBLDHEPKSA-N 0 3 304.217 3.286 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658947091 436450644 /nfs/dbraw/zinc/45/06/44/436450644.db2.gz KBRIOBYMRLPVOK-QZTJIDSGSA-N 0 3 316.420 3.237 20 30 DGEDHN Cc1ccc([C@H](CN[C@@H]2CCC[C@H](C#N)C2)N2CCCC2)o1 ZINC000185882971 301799263 /nfs/dbraw/zinc/79/92/63/301799263.db2.gz QXTOUFHDYVWILY-BBWFWOEESA-N 0 3 301.434 3.397 20 30 DGEDHN C=CCC1(NC(=O)NCc2cccc(CN(C)C)c2)CCCC1 ZINC000663678730 436489616 /nfs/dbraw/zinc/48/96/16/436489616.db2.gz SGKXWWVXYSJWKK-UHFFFAOYSA-N 0 3 315.461 3.436 20 30 DGEDHN C=CCn1c(C2CCC2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655618735 436568985 /nfs/dbraw/zinc/56/89/85/436568985.db2.gz TWAZMAYKJNUYGW-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1(C#N)CCCC1)N(C)C ZINC000362128818 302138833 /nfs/dbraw/zinc/13/88/33/302138833.db2.gz IOBIJIBBHUQTLK-DOTOQJQBSA-N 0 3 313.445 3.186 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)C1 ZINC000459659521 303160596 /nfs/dbraw/zinc/16/05/96/303160596.db2.gz KLHAQNVKOPCXQO-HZSPNIEDSA-N 0 3 316.367 3.360 20 30 DGEDHN C[C@H](CC(N)=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961692 314165853 /nfs/dbraw/zinc/16/58/53/314165853.db2.gz RCYJAXZGXGWZHR-KGLIPLIRSA-N 0 3 307.397 3.140 20 30 DGEDHN CCCC[C@@H](CC)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000546931660 314336781 /nfs/dbraw/zinc/33/67/81/314336781.db2.gz VJCYXCINQUSBOS-MRXNPFEDSA-N 0 3 300.450 3.292 20 30 DGEDHN Cc1cc(C)c(CNC[C@@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000564565209 315182946 /nfs/dbraw/zinc/18/29/46/315182946.db2.gz SIJVWKVLMHUIDF-GOSISDBHSA-N 0 3 324.424 3.013 20 30 DGEDHN Cc1csc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1C#N ZINC000565161724 315236209 /nfs/dbraw/zinc/23/62/09/315236209.db2.gz KCFMTPCOJBPKRV-WCQYABFASA-N 0 3 320.462 3.170 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@H](c3ccncc3)C2)c(F)c1 ZINC000566719186 315369424 /nfs/dbraw/zinc/36/94/24/315369424.db2.gz WEVOIWBJKVIWOH-WMZOPIPTSA-N 0 3 311.360 3.102 20 30 DGEDHN CC(C)=CCC[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000567582568 315432564 /nfs/dbraw/zinc/43/25/64/315432564.db2.gz PCODISGJSKPFHY-OAHLLOKOSA-N 0 3 320.458 3.056 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)c(F)c1 ZINC000572572033 315801867 /nfs/dbraw/zinc/80/18/67/315801867.db2.gz RDCCQMMZYXBCAD-CRAIPNDOSA-N 0 3 311.360 3.102 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ccc(Cl)cn1)CC2 ZINC000574004917 315921646 /nfs/dbraw/zinc/92/16/46/315921646.db2.gz ADQNKDXVXHDFSD-INIZCTEOSA-N 0 3 313.788 3.263 20 30 DGEDHN CC[C@H](NCCC(=O)Nc1ccccn1)c1ccc(C#N)cc1 ZINC000577180618 316210243 /nfs/dbraw/zinc/21/02/43/316210243.db2.gz RLEDQTHGUHACCP-INIZCTEOSA-N 0 3 308.385 3.023 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2ccc(C#N)cn2)C1 ZINC000578079776 316301465 /nfs/dbraw/zinc/30/14/65/316301465.db2.gz CPQJVTZQRSNOSK-AXUOBQJMSA-N 0 3 313.445 3.105 20 30 DGEDHN Cc1cc(CNC[C@H](c2cccc(F)c2)N(C)C)ccc1C#N ZINC000443980656 533703225 /nfs/dbraw/zinc/70/32/25/533703225.db2.gz DIDVDFAFHVAFAC-LJQANCHMSA-N 0 3 311.404 3.398 20 30 DGEDHN Cc1cccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000183730124 323346627 /nfs/dbraw/zinc/34/66/27/323346627.db2.gz QUOVIDDHEJAKRP-AEFFLSMTSA-N 0 3 324.424 3.266 20 30 DGEDHN COc1ccccc1OCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000580015826 323945709 /nfs/dbraw/zinc/94/57/09/323945709.db2.gz DOQPBPALZXOELN-KRWDZBQOSA-N 0 3 308.381 3.223 20 30 DGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)cn1 ZINC000580841187 324045349 /nfs/dbraw/zinc/04/53/49/324045349.db2.gz IHNOTVXEWGHLGU-HXUWFJFHSA-N 0 3 322.456 3.199 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Br)c(Cl)s1 ZINC000381618297 332875135 /nfs/dbraw/zinc/87/51/35/332875135.db2.gz WVAUEEIOUAHDDX-QMMMGPOBSA-N 0 3 324.671 3.438 20 30 DGEDHN N#CCCOCCS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564962120 332305369 /nfs/dbraw/zinc/30/53/69/332305369.db2.gz CSAREONVONDDTP-QGZVFWFLSA-N 0 3 304.459 3.314 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Br)cn1 ZINC000560350801 332333575 /nfs/dbraw/zinc/33/35/75/332333575.db2.gz BAPWGCFWHYEXHH-HONMWMINSA-N 0 3 311.223 3.228 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000583383387 332376937 /nfs/dbraw/zinc/37/69/37/332376937.db2.gz CDCZFWHYXSMFJT-HKUYNNGSSA-N 0 3 319.408 3.170 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)C[C@H]1C)C(C)C ZINC000564501155 332387973 /nfs/dbraw/zinc/38/79/73/332387973.db2.gz YCNWGURTIUWYKX-GVDBMIGSSA-N 0 3 307.482 3.125 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000246467005 332518044 /nfs/dbraw/zinc/51/80/44/332518044.db2.gz GJEPNIWSBMFQSJ-JFIYKMOQSA-N 0 3 319.493 3.390 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C(CC)CC)C2CC2)CC1 ZINC000531154522 333035286 /nfs/dbraw/zinc/03/52/86/333035286.db2.gz OELZERLCJNLYBQ-UHFFFAOYSA-N 0 3 307.482 3.390 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](O)C23CCCC3)cc1OC ZINC000293804499 335117537 /nfs/dbraw/zinc/11/75/37/335117537.db2.gz DNHHQBOZAHGJSJ-GOSISDBHSA-N 0 3 317.429 3.139 20 30 DGEDHN C=CCC[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000185190769 335118199 /nfs/dbraw/zinc/11/81/99/335118199.db2.gz IATZQYOQSNLBST-GFCCVEGCSA-N 0 3 301.839 3.058 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000182214429 333199447 /nfs/dbraw/zinc/19/94/47/333199447.db2.gz YHWKYSVKARPEQZ-KRWDZBQOSA-N 0 3 303.450 3.069 20 30 DGEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccc(OCCC)cc2)C1=O ZINC000499784228 333309113 /nfs/dbraw/zinc/30/91/13/333309113.db2.gz DVOVLQWOZABZJG-QGZVFWFLSA-N 0 3 316.445 3.087 20 30 DGEDHN CCC(CC)[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccs1 ZINC000525886772 335140429 /nfs/dbraw/zinc/14/04/29/335140429.db2.gz JRLHGZIVWOTVGR-MRXNPFEDSA-N 0 3 319.474 3.377 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000345390697 335322761 /nfs/dbraw/zinc/32/27/61/335322761.db2.gz LIFCVNKXOUXDPN-MRXNPFEDSA-N 0 3 300.446 3.370 20 30 DGEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccc2ccccc21 ZINC000527384719 335884479 /nfs/dbraw/zinc/88/44/79/335884479.db2.gz ZYNWKUWAMMDMHG-CQSZACIVSA-N 0 3 307.397 3.053 20 30 DGEDHN CC(C#N)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000352151907 336197044 /nfs/dbraw/zinc/19/70/44/336197044.db2.gz WXHBXZHWCNKMMC-UWVGGRQHSA-N 0 3 307.191 3.054 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000352806451 336242368 /nfs/dbraw/zinc/24/23/68/336242368.db2.gz RCVKJRKKFFLUFM-OIBJUYFYSA-N 0 3 322.233 3.167 20 30 DGEDHN C=CCNC(=O)CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000532688865 336267682 /nfs/dbraw/zinc/26/76/82/336267682.db2.gz BYQPOUPUYLFODY-UHFFFAOYSA-N 0 3 306.837 3.391 20 30 DGEDHN C[C@H](CN1CCCCC1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000354411839 336469998 /nfs/dbraw/zinc/46/99/98/336469998.db2.gz ZPTNMSVJGPUVIO-AEFFLSMTSA-N 0 3 313.445 3.065 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398165500 337307801 /nfs/dbraw/zinc/30/78/01/337307801.db2.gz MLLLFAOAXRIDKM-DOTOQJQBSA-N 0 3 313.445 3.096 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000572029503 337587414 /nfs/dbraw/zinc/58/74/14/337587414.db2.gz WEMCXCOALJKYPX-BRWVUGGUSA-N 0 3 307.409 3.025 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000499150922 340031221 /nfs/dbraw/zinc/03/12/21/340031221.db2.gz MNWVWRIYUFWIEU-INIZCTEOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCN1CC[C@H](NC2(c3cccc(Cl)c3)CCCC2)C1=O ZINC000499605224 340040846 /nfs/dbraw/zinc/04/08/46/340040846.db2.gz IKLDNIHQTWAPMG-INIZCTEOSA-N 0 3 318.848 3.486 20 30 DGEDHN C=CCOc1ccc(C(=O)NCCN2CCCC[C@@H]2CC)cc1 ZINC000499668175 340042578 /nfs/dbraw/zinc/04/25/78/340042578.db2.gz KEVBHJKNGWHELO-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000501559045 340083596 /nfs/dbraw/zinc/08/35/96/340083596.db2.gz ZQMZZGMHLROJKC-YOEHRIQHSA-N 0 3 321.440 3.472 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000501559042 340083619 /nfs/dbraw/zinc/08/36/19/340083619.db2.gz ZQMZZGMHLROJKC-PBHICJAKSA-N 0 3 321.440 3.472 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000503432799 340128196 /nfs/dbraw/zinc/12/81/96/340128196.db2.gz ABONKRQDPKAUBE-KZNAEPCWSA-N 0 3 321.509 3.373 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1ccco1)C(C)C ZINC000503434131 340128202 /nfs/dbraw/zinc/12/82/02/340128202.db2.gz DFHSDWDWBCNHFR-KRWDZBQOSA-N 0 3 319.449 3.120 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C)C1)C(C)C ZINC000503440323 340128373 /nfs/dbraw/zinc/12/83/73/340128373.db2.gz UVLLJTJAUPTGLE-DLBZAZTESA-N 0 3 307.482 3.127 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccccc2C)CCCCC1 ZINC000507864624 340234596 /nfs/dbraw/zinc/23/45/96/340234596.db2.gz GKYAGVZPHYUDFS-KRWDZBQOSA-N 0 3 314.473 3.477 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508869974 340254815 /nfs/dbraw/zinc/25/48/15/340254815.db2.gz JQFHJIMOPXNDEC-WMZOPIPTSA-N 0 3 315.461 3.370 20 30 DGEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000510438742 340299414 /nfs/dbraw/zinc/29/94/14/340299414.db2.gz VBWSGGHHBNVWQU-JTQLQIEISA-N 0 3 309.207 3.003 20 30 DGEDHN C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511939814 340343406 /nfs/dbraw/zinc/34/34/06/340343406.db2.gz DNTQEKZBTGMHTM-QGZVFWFLSA-N 0 3 315.461 3.162 20 30 DGEDHN CC(C)(O)[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000305742612 340388067 /nfs/dbraw/zinc/38/80/67/340388067.db2.gz NYRWUJWZWGKLKG-OAHLLOKOSA-N 0 3 311.347 3.292 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000176499705 340427922 /nfs/dbraw/zinc/42/79/22/340427922.db2.gz PCJWSFZZUPMMHF-CVEARBPZSA-N 0 3 307.482 3.247 20 30 DGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc2ccccc21 ZINC000527289636 340711087 /nfs/dbraw/zinc/71/10/87/340711087.db2.gz WIJAGVIKVVBRPR-CABCVRRESA-N 0 3 321.424 3.441 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3cscc3s2)CC1 ZINC000528447961 340719589 /nfs/dbraw/zinc/71/95/89/340719589.db2.gz JAWPKMMAWGQYSB-UHFFFAOYSA-N 0 3 306.456 3.343 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(Br)cc1Cl ZINC000539228428 340877572 /nfs/dbraw/zinc/87/75/72/340877572.db2.gz CYGPCKLLSVSIIM-SNVBAGLBSA-N 0 3 318.642 3.377 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000540576422 340936500 /nfs/dbraw/zinc/93/65/00/340936500.db2.gz DPSFTYLEXYEXLO-FUHWJXTLSA-N 0 3 319.832 3.403 20 30 DGEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1OC(F)F ZINC000540994284 340954977 /nfs/dbraw/zinc/95/49/77/340954977.db2.gz YRHXWTOLJQICAP-UHFFFAOYSA-N 0 3 310.344 3.422 20 30 DGEDHN COC(=O)[C@@H](C)[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000542207011 341000028 /nfs/dbraw/zinc/00/00/28/341000028.db2.gz VHVGKIPRQRKFIE-HNAYVOBHSA-N 0 3 322.408 3.393 20 30 DGEDHN COC(=O)[C@H](C)[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000542207005 341000050 /nfs/dbraw/zinc/00/00/50/341000050.db2.gz VHVGKIPRQRKFIE-BEFAXECRSA-N 0 3 322.408 3.393 20 30 DGEDHN COc1cc2c(c(CN3CCC(CC#N)CC3)c1)O[C@H](C)C2 ZINC000543782685 341058566 /nfs/dbraw/zinc/05/85/66/341058566.db2.gz ZIFNPHBOAHVFRR-CYBMUJFWSA-N 0 3 300.402 3.144 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000131669021 341107469 /nfs/dbraw/zinc/10/74/69/341107469.db2.gz ZIDCGHSQCXWTHF-KRWDZBQOSA-N 0 3 304.434 3.160 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000131668828 341107579 /nfs/dbraw/zinc/10/75/79/341107579.db2.gz ZIDCGHSQCXWTHF-QGZVFWFLSA-N 0 3 304.434 3.160 20 30 DGEDHN CCCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000131807877 341112038 /nfs/dbraw/zinc/11/20/38/341112038.db2.gz DRKDYAMAGMAHOM-INIZCTEOSA-N 0 3 301.434 3.444 20 30 DGEDHN C[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1CO ZINC000132854780 341147429 /nfs/dbraw/zinc/14/74/29/341147429.db2.gz HSROFJADNFUUBX-CZUORRHYSA-N 0 3 311.347 3.150 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000547946550 341240042 /nfs/dbraw/zinc/24/00/42/341240042.db2.gz RHXSMGYKHMRZJG-OAHLLOKOSA-N 0 3 316.470 3.275 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCN1CC[C@H](C)C1)c1ccccc1 ZINC000547978383 341241753 /nfs/dbraw/zinc/24/17/53/341241753.db2.gz XPEORMSUQIMTIZ-FUHWJXTLSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079504317 341260196 /nfs/dbraw/zinc/26/01/96/341260196.db2.gz ANWPZIOPLLZKEK-SFHVURJKSA-N 0 3 313.445 3.035 20 30 DGEDHN CC[C@H](C)N(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000249515917 341398571 /nfs/dbraw/zinc/39/85/71/341398571.db2.gz DDVBJWROVWXKTB-HNAYVOBHSA-N 0 3 313.445 3.096 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCCN1CC)c1ccccc1 ZINC000249566766 341399295 /nfs/dbraw/zinc/39/92/95/341399295.db2.gz NFELLDVCNPJXAE-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN CN(C)[C@H](CC(=O)N1CCC(CCC#N)CC1)c1ccccc1 ZINC000573969161 341744591 /nfs/dbraw/zinc/74/45/91/341744591.db2.gz MIXAFTWYCQJBJZ-GOSISDBHSA-N 0 3 313.445 3.222 20 30 DGEDHN CC1(C)C(=O)N[C@H]1C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000577122082 341887780 /nfs/dbraw/zinc/88/77/80/341887780.db2.gz MJWCSEOAGDFTKN-INIZCTEOSA-N 0 3 317.477 3.087 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618807992 500879324 /nfs/dbraw/zinc/87/93/24/500879324.db2.gz YHEABOCGVOXKMG-LRDDRELGSA-N 0 3 300.402 3.255 20 30 DGEDHN C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424125176 533741485 /nfs/dbraw/zinc/74/14/85/533741485.db2.gz NKEJRKKDKIOLLX-MSQAHXEGSA-N 0 3 319.836 3.174 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 ZINC000182523427 533741924 /nfs/dbraw/zinc/74/19/24/533741924.db2.gz OMBDMUTWDMSCOU-INIZCTEOSA-N 0 3 313.445 3.097 20 30 DGEDHN COc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000442888107 533816662 /nfs/dbraw/zinc/81/66/62/533816662.db2.gz DUYBCVMEYKVZEZ-DOTOQJQBSA-N 0 3 302.443 3.427 20 30 DGEDHN COc1cc(CNCCCOc2ccc(C)cc2)ccc1C#N ZINC000440818380 533873239 /nfs/dbraw/zinc/87/32/39/533873239.db2.gz JPCXENPNSHMTDZ-UHFFFAOYSA-N 0 3 310.397 3.434 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(OCC#N)cc1 ZINC000182004157 533922189 /nfs/dbraw/zinc/92/21/89/533922189.db2.gz XENHJFLEGFDWGO-HNNXBMFYSA-N 0 3 321.380 3.342 20 30 DGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000339067472 534011182 /nfs/dbraw/zinc/01/11/82/534011182.db2.gz KLZDZDSEOOOKMN-DCGLDWPTSA-N 0 3 312.417 3.313 20 30 DGEDHN COc1ccccc1CN(Cc1cccs1)C(=O)C(C)C#N ZINC000357792789 534070207 /nfs/dbraw/zinc/07/02/07/534070207.db2.gz HRDMTFJBDIIBLQ-ZDUSSCGKSA-N 0 3 314.410 3.445 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000331397897 534107937 /nfs/dbraw/zinc/10/79/37/534107937.db2.gz GPRCQEUVAYKGOU-DOTOQJQBSA-N 0 3 311.429 3.022 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000357819613 534283415 /nfs/dbraw/zinc/28/34/15/534283415.db2.gz DZWSAOIGILTHRX-CJNGLKHVSA-N 0 3 312.344 3.222 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444760286 534284219 /nfs/dbraw/zinc/28/42/19/534284219.db2.gz IXPCIDOEIKCEBU-LHLIQPBNSA-N 0 3 308.662 3.358 20 30 DGEDHN Cc1noc(C)c1C(C)(C)NCCCC1(C#N)CCOCC1 ZINC000353545620 534329274 /nfs/dbraw/zinc/32/92/74/534329274.db2.gz SWWKPTAVRTWTAU-UHFFFAOYSA-N 0 3 305.422 3.217 20 30 DGEDHN C=CCc1cc(CN2CCSC[C@@H]2C2CC2)cc(OC)c1O ZINC000449527268 534412505 /nfs/dbraw/zinc/41/25/05/534412505.db2.gz HEBUJBQQQZIAHP-MRXNPFEDSA-N 0 3 319.470 3.457 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000459108278 534413257 /nfs/dbraw/zinc/41/32/57/534413257.db2.gz YGCSMBNRKJEQMS-OAHLLOKOSA-N 0 3 309.841 3.208 20 30 DGEDHN C=CCc1cc(CNC[C@H](OC)[C@H](C)CC)cc(OC)c1O ZINC000449403357 534418200 /nfs/dbraw/zinc/41/82/00/534418200.db2.gz VQDIGYRCULHJOB-DYVFJYSZSA-N 0 3 307.434 3.280 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000488375720 534469927 /nfs/dbraw/zinc/46/99/27/534469927.db2.gz CFCCEWABMBTDDG-GOSISDBHSA-N 0 3 323.440 3.241 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000449516424 534609192 /nfs/dbraw/zinc/60/91/92/534609192.db2.gz ASZDTWNQOOFGAN-KGLIPLIRSA-N 0 3 311.809 3.180 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)ccc1F ZINC000449519826 534609363 /nfs/dbraw/zinc/60/93/63/534609363.db2.gz NVAFZCJBXDHYFW-OLZOCXBDSA-N 0 3 300.171 3.021 20 30 DGEDHN Cc1cccc(CN(CC(=O)NC2(C#N)CCC2)CC(C)C)c1 ZINC000346923583 534704044 /nfs/dbraw/zinc/70/40/44/534704044.db2.gz PIUJDASXUDDHQW-UHFFFAOYSA-N 0 3 313.445 3.016 20 30 DGEDHN Cn1cc(CNCCN2CCC3(CCCCC3)CC2)cc1C#N ZINC000441360855 534734393 /nfs/dbraw/zinc/73/43/93/534734393.db2.gz RVMLAYQRYRMLFJ-UHFFFAOYSA-N 0 3 314.477 3.033 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000449695249 534791563 /nfs/dbraw/zinc/79/15/63/534791563.db2.gz DTTWQLZMAACXSS-KRWDZBQOSA-N 0 3 311.429 3.266 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1 ZINC000156642439 525632832 /nfs/dbraw/zinc/63/28/32/525632832.db2.gz OIDHNENAWDOTNX-RHSMWYFYSA-N 0 3 324.403 3.412 20 30 DGEDHN C=CCOCCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000470761265 534873823 /nfs/dbraw/zinc/87/38/23/534873823.db2.gz IGBOEVSQGKHLPT-UHFFFAOYSA-N 0 3 322.424 3.457 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NCC1(C#N)CCC1 ZINC000497104370 534891375 /nfs/dbraw/zinc/89/13/75/534891375.db2.gz BQYLOLDUTGZSOQ-CABCVRRESA-N 0 3 321.465 3.353 20 30 DGEDHN C=CCN(CCC(=O)N(C)c1ccccc1)CCc1ccco1 ZINC000352721619 526270794 /nfs/dbraw/zinc/27/07/94/526270794.db2.gz UYBIGCSAVDBVLS-UHFFFAOYSA-N 0 3 312.413 3.363 20 30 DGEDHN CC#CCCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000185649591 526290555 /nfs/dbraw/zinc/29/05/55/526290555.db2.gz USWKQROQJBFLJH-SFHVURJKSA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCN(C[C@H](O)COc1ccc(/C=C\C)cc1OC)C1CC1 ZINC000357551441 526330643 /nfs/dbraw/zinc/33/06/43/526330643.db2.gz ISGCMVIENYWPQY-AATOQMJSSA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCN(C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000357528330 526330838 /nfs/dbraw/zinc/33/08/38/526330838.db2.gz LCUPBTFWCPFKQK-HKUYNNGSSA-N 0 3 301.430 3.092 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NC1CCN(CC)CC1 ZINC000298881768 526361489 /nfs/dbraw/zinc/36/14/89/526361489.db2.gz PPZKHTYWYBDRNL-UHFFFAOYSA-N 0 3 319.424 3.008 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000171741738 526427433 /nfs/dbraw/zinc/42/74/33/526427433.db2.gz FAWIANGERQMCHZ-KRWDZBQOSA-N 0 3 305.466 3.001 20 30 DGEDHN C=C(C)CCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000352403346 526444091 /nfs/dbraw/zinc/44/40/91/526444091.db2.gz UXRRFXQMNDNCPZ-UHFFFAOYSA-N 0 3 320.384 3.035 20 30 DGEDHN C=C(C)CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000351846041 526445871 /nfs/dbraw/zinc/44/58/71/526445871.db2.gz ZAYWVDOOVHJPAE-UHFFFAOYSA-N 0 3 306.413 3.195 20 30 DGEDHN C=CCN1CCC(NC(=O)c2[nH]c3ccc(C)cc3c2C)CC1 ZINC000178115111 526445873 /nfs/dbraw/zinc/44/58/73/526445873.db2.gz CBTINTMZBUORFB-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN C=CCN1CCC(Nc2nc3ccc(OC)cc3nc2C)CC1 ZINC000338666905 526454978 /nfs/dbraw/zinc/45/49/78/526454978.db2.gz ZBNJGNVNFXLKQZ-UHFFFAOYSA-N 0 3 312.417 3.009 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000371500841 526487563 /nfs/dbraw/zinc/48/75/63/526487563.db2.gz RRQJJLWZANRLEJ-SFHVURJKSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H]2CC[C@](C)(c3ccccc3)C2)C1=O ZINC000343598951 526503703 /nfs/dbraw/zinc/50/37/03/526503703.db2.gz GHBGMEHYMPHGDY-HBFSDRIKSA-N 0 3 312.457 3.216 20 30 DGEDHN C=C(C)CN(CCC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000348223300 526550865 /nfs/dbraw/zinc/55/08/65/526550865.db2.gz GACRDXPVAXDOOS-UHFFFAOYSA-N 0 3 309.413 3.489 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413127141 526605495 /nfs/dbraw/zinc/60/54/95/526605495.db2.gz LWVIHJDKJSDPAP-UHFFFAOYSA-N 0 3 314.389 3.227 20 30 DGEDHN C=CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000339349052 526613389 /nfs/dbraw/zinc/61/33/89/526613389.db2.gz LUHFXSHFICFESW-AWEZNQCLSA-N 0 3 307.463 3.006 20 30 DGEDHN C=CCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(CC)CC ZINC000430921897 526613426 /nfs/dbraw/zinc/61/34/26/526613426.db2.gz VPPKHKZLOHQUOM-KRWDZBQOSA-N 0 3 303.450 3.117 20 30 DGEDHN C=CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000339349055 526613572 /nfs/dbraw/zinc/61/35/72/526613572.db2.gz LUHFXSHFICFESW-CQSZACIVSA-N 0 3 307.463 3.006 20 30 DGEDHN C=C(C)CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000429153047 526617660 /nfs/dbraw/zinc/61/76/60/526617660.db2.gz YIUJMNUBWLWBTM-KRWDZBQOSA-N 0 3 303.450 3.018 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000352224176 526631934 /nfs/dbraw/zinc/63/19/34/526631934.db2.gz ZMUVWCZOENHSCJ-QFBILLFUSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](C)[C@H]2CCCO2)ccc1OC ZINC000057962488 526662655 /nfs/dbraw/zinc/66/26/55/526662655.db2.gz ROJNYAHHAXVLGG-GDBMZVCRSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCOCCCN1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000348050961 526759035 /nfs/dbraw/zinc/75/90/35/526759035.db2.gz QCTIJAOWLLLTSH-ZWKOTPCHSA-N 0 3 302.462 3.174 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000343340538 526846167 /nfs/dbraw/zinc/84/61/67/526846167.db2.gz VDSWBSBVACKGFX-MRXNPFEDSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000435742763 526849857 /nfs/dbraw/zinc/84/98/57/526849857.db2.gz OMJZULZBDOVUCQ-XJKSGUPXSA-N 0 3 307.821 3.346 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@](C)(OC)C2)cc1OC ZINC000355224266 526868103 /nfs/dbraw/zinc/86/81/03/526868103.db2.gz RHFRWOVCJYQISB-SFHVURJKSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@](CO)(CCC)C2)cc1OC ZINC000290171009 526870629 /nfs/dbraw/zinc/87/06/29/526870629.db2.gz MWAXUBMFSHUUMV-LJQANCHMSA-N 0 3 319.445 3.245 20 30 DGEDHN C=C(CNC(=O)NC[C@H](C)N1CCC(C)CC1)c1ccccc1 ZINC000352340428 526872757 /nfs/dbraw/zinc/87/27/57/526872757.db2.gz OBKRUQOXOUJNQY-KRWDZBQOSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)cc1 ZINC000184288835 526890826 /nfs/dbraw/zinc/89/08/26/526890826.db2.gz QVSHAEVMYRMMSL-UVARLRKDSA-N 0 3 315.866 3.236 20 30 DGEDHN C=CCOc1cccc(CN(CCN(C)C)Cc2ccco2)c1 ZINC000349321364 526898530 /nfs/dbraw/zinc/89/85/30/526898530.db2.gz XBORYCIIFGGRQY-UHFFFAOYSA-N 0 3 314.429 3.408 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000338049506 526917481 /nfs/dbraw/zinc/91/74/81/526917481.db2.gz GDGCXPNXDCIVFQ-KKUMJFAQSA-N 0 3 302.418 3.451 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000129155173 526986382 /nfs/dbraw/zinc/98/63/82/526986382.db2.gz KCWLHUWIGBRSIW-UHFFFAOYSA-N 0 3 303.425 3.273 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CSC[C@@H]1C ZINC000352814187 527012874 /nfs/dbraw/zinc/01/28/74/527012874.db2.gz GPHBKAAXTWMCKY-JSGCOSHPSA-N 0 3 322.499 3.244 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000346616533 527083026 /nfs/dbraw/zinc/08/30/26/527083026.db2.gz BPFNFSSDMFAOOI-DNVCBOLYSA-N 0 3 314.404 3.393 20 30 DGEDHN C=CCCC1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000353834432 527089054 /nfs/dbraw/zinc/08/90/54/527089054.db2.gz XWAFUXQCEHBVGM-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCCC(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000434189012 527101134 /nfs/dbraw/zinc/10/11/34/527101134.db2.gz LRRMQKRHBYDUGP-UHFFFAOYSA-N 0 3 316.445 3.480 20 30 DGEDHN C#CCOc1ccccc1CN(C)C[C@H](C)c1nccs1 ZINC000183250852 527124553 /nfs/dbraw/zinc/12/45/53/527124553.db2.gz ADVUNROSXBONBT-AWEZNQCLSA-N 0 3 300.427 3.391 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000360222953 527152656 /nfs/dbraw/zinc/15/26/56/527152656.db2.gz XCFAMDGCKZVRRX-ROUUACIJSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000341893596 527189354 /nfs/dbraw/zinc/18/93/54/527189354.db2.gz YTKMUCYHZXHZBG-ZFWWWQNUSA-N 0 3 317.408 3.155 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000341885419 527189680 /nfs/dbraw/zinc/18/96/80/527189680.db2.gz XCAYKUSSGZPAPI-RYUDHWBXSA-N 0 3 307.825 3.062 20 30 DGEDHN C=CCCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415973497 527222460 /nfs/dbraw/zinc/22/24/60/527222460.db2.gz QMYFASCRSNSLRB-UHFFFAOYSA-N 0 3 301.312 3.252 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)cc(OC)c1O ZINC000443786919 527238999 /nfs/dbraw/zinc/23/89/99/527238999.db2.gz GZHPNGZLFQRWHB-ZQIUZPCESA-N 0 3 319.445 3.111 20 30 DGEDHN C=CCc1cc(CN[C@H](CO)CC2CCCC2)cc(OC)c1O ZINC000337824035 527243778 /nfs/dbraw/zinc/24/37/78/527243778.db2.gz RZWYETLGTSOAAV-KRWDZBQOSA-N 0 3 319.445 3.160 20 30 DGEDHN C=CCCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346845307 527315045 /nfs/dbraw/zinc/31/50/45/527315045.db2.gz MUWYKIOSARINKB-INIZCTEOSA-N 0 3 304.409 3.072 20 30 DGEDHN C=CCCN(C)CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000342739243 527318427 /nfs/dbraw/zinc/31/84/27/527318427.db2.gz UINRVAAPSTZIKR-UHFFFAOYSA-N 0 3 314.351 3.085 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000337601434 527508611 /nfs/dbraw/zinc/50/86/11/527508611.db2.gz NFNCNEGLCHXZAZ-GDBMZVCRSA-N 0 3 301.434 3.409 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1coc(-c2cccs2)n1 ZINC000429721690 527573204 /nfs/dbraw/zinc/57/32/04/527573204.db2.gz KJKLNRNPAPNDGG-UHFFFAOYSA-N 0 3 305.447 3.343 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000429709757 527574698 /nfs/dbraw/zinc/57/46/98/527574698.db2.gz RVUUJDHABHSKKX-CQSZACIVSA-N 0 3 323.868 3.107 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000429708843 527575231 /nfs/dbraw/zinc/57/52/31/527575231.db2.gz NYSWOGKFHWKWCO-KRWDZBQOSA-N 0 3 317.477 3.070 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000429724061 527575631 /nfs/dbraw/zinc/57/56/31/527575631.db2.gz WINMJZCQILFFLW-QGZVFWFLSA-N 0 3 317.477 3.070 20 30 DGEDHN C=C[C@H](CO)N[C@@H]1CCc2c1cc(Cl)cc2Br ZINC000353574680 527595029 /nfs/dbraw/zinc/59/50/29/527595029.db2.gz JIWCNKXTSVHZQR-NOZJJQNGSA-N 0 3 316.626 3.226 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC[C@@H](SCC)C1 ZINC000350897677 527631474 /nfs/dbraw/zinc/63/14/74/527631474.db2.gz SIUOKIXPQPLNJA-JKSUJKDBSA-N 0 3 310.507 3.183 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](c2ccccc2)C1 ZINC000433060021 527633331 /nfs/dbraw/zinc/63/33/31/527633331.db2.gz FRIUHAHVUDOJMZ-PKOBYXMFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(NC)s1)C(C)C ZINC000353455549 527649566 /nfs/dbraw/zinc/64/95/66/527649566.db2.gz YDAXYWQTIQHVJL-CQSZACIVSA-N 0 3 321.490 3.218 20 30 DGEDHN CC(C)(C)CN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)C ZINC000342176949 527678928 /nfs/dbraw/zinc/67/89/28/527678928.db2.gz LHKMWVXUBDLBAK-UHFFFAOYSA-N 0 3 320.481 3.037 20 30 DGEDHN CCCN(C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000355588336 527824377 /nfs/dbraw/zinc/82/43/77/527824377.db2.gz BXKMIKUODTVHGT-GFCCVEGCSA-N 0 3 314.216 3.016 20 30 DGEDHN CCCN(CC)CC(=O)N(CCC#N)c1ccc(OCC)cc1 ZINC000346304222 527961163 /nfs/dbraw/zinc/96/11/63/527961163.db2.gz SQPYBGQKYGZCCK-UHFFFAOYSA-N 0 3 317.433 3.064 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC000330679275 528234038 /nfs/dbraw/zinc/23/40/38/528234038.db2.gz DHPHLNOOKYQPPL-AWEZNQCLSA-N 0 3 306.454 3.126 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)NCCCCC#N)c1ccsc1 ZINC000171735157 528239461 /nfs/dbraw/zinc/23/94/61/528239461.db2.gz DGNOGXRZSKPDJF-HNNXBMFYSA-N 0 3 322.478 3.124 20 30 DGEDHN CCOc1cc2c(cc1CN[C@@H]1CC[C@H](C#N)C1)O[C@@H](C)C2 ZINC000349830689 528342194 /nfs/dbraw/zinc/34/21/94/528342194.db2.gz QYPSQWWPYNXOLJ-HEHGZKQESA-N 0 3 300.402 3.191 20 30 DGEDHN CCN(CCCSCC#N)Cc1ccc(OC)cc1OC ZINC000342134623 528473364 /nfs/dbraw/zinc/47/33/64/528473364.db2.gz DWRSYJKXZKODGK-UHFFFAOYSA-N 0 3 308.447 3.173 20 30 DGEDHN CCN(CCN1CCCCCC1)C(=O)c1ccc(CC#N)cc1 ZINC000346331244 528477394 /nfs/dbraw/zinc/47/73/94/528477394.db2.gz HHHXSIZOWAURJR-UHFFFAOYSA-N 0 3 313.445 3.091 20 30 DGEDHN CCOc1ccc(N(CCC#N)C(=O)CN(CC)C(C)C)cc1 ZINC000340215324 528479125 /nfs/dbraw/zinc/47/91/25/528479125.db2.gz PCFBHMNLXHPHEI-UHFFFAOYSA-N 0 3 317.433 3.062 20 30 DGEDHN CCCCNC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185778548 528551182 /nfs/dbraw/zinc/55/11/82/528551182.db2.gz ZQKSRWUNCSPDOD-FUHWJXTLSA-N 0 3 313.445 3.388 20 30 DGEDHN CC(C)[C@@H](O)C1(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000345714617 528612241 /nfs/dbraw/zinc/61/22/41/528612241.db2.gz YIKLEJWMBCFZPJ-GOSISDBHSA-N 0 3 316.445 3.256 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000130427504 528618200 /nfs/dbraw/zinc/61/82/00/528618200.db2.gz FHUGDXBYZDWCRF-INIZCTEOSA-N 0 3 315.461 3.295 20 30 DGEDHN CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000331023783 528635036 /nfs/dbraw/zinc/63/50/36/528635036.db2.gz RTMYCVDHNBWMCM-ZIAGYGMSSA-N 0 3 320.433 3.271 20 30 DGEDHN CCCOc1ccc(CN(CCC)C(=O)C(C)C#N)cc1OC ZINC000347067590 528660343 /nfs/dbraw/zinc/66/03/43/528660343.db2.gz LFFMZOJGIFUXJB-CQSZACIVSA-N 0 3 318.417 3.382 20 30 DGEDHN CCCc1nc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)co1 ZINC000330801689 528682147 /nfs/dbraw/zinc/68/21/47/528682147.db2.gz DGSSUCZFUIUXIN-ZDUSSCGKSA-N 0 3 307.438 3.442 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCS1 ZINC000433381719 528731648 /nfs/dbraw/zinc/73/16/48/528731648.db2.gz AVCFOSRZAFFPHM-SJORKVTESA-N 0 3 316.470 3.359 20 30 DGEDHN CCN(Cc1ccc(C(=O)N2CCC(C#N)CC2)cc1)C1CC1 ZINC000338088318 528773474 /nfs/dbraw/zinc/77/34/74/528773474.db2.gz RFNSRYGQBVTTEB-UHFFFAOYSA-N 0 3 311.429 3.047 20 30 DGEDHN CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)CO ZINC000292823070 528816245 /nfs/dbraw/zinc/81/62/45/528816245.db2.gz QEQPZWZJGAXOQX-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN CC(C)N(Cc1ccc(Br)cc1)C(=O)C(C)C#N ZINC000344284374 528938015 /nfs/dbraw/zinc/93/80/15/528938015.db2.gz ZXHSTULCBUBNJS-LLVKDONJSA-N 0 3 309.207 3.346 20 30 DGEDHN CCN1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000331106916 528960010 /nfs/dbraw/zinc/96/00/10/528960010.db2.gz GSZRVOBDMMOPMF-UHFFFAOYSA-N 0 3 323.418 3.106 20 30 DGEDHN CC(C)N1CCN(CCCSc2ccc(C#N)cc2F)CC1 ZINC000412998502 529041502 /nfs/dbraw/zinc/04/15/02/529041502.db2.gz XXJOLCRLDZGDMP-UHFFFAOYSA-N 0 3 321.465 3.206 20 30 DGEDHN CCN1CCC[C@@H]1CNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000328767792 529059518 /nfs/dbraw/zinc/05/95/18/529059518.db2.gz QAIYWLPCMFSKJW-OAHLLOKOSA-N 0 3 318.465 3.257 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)CCC#N)C(C)(C)c1ccccc1 ZINC000180013445 529153722 /nfs/dbraw/zinc/15/37/22/529153722.db2.gz WCKYDFUZBKOLFG-QGZVFWFLSA-N 0 3 315.461 3.095 20 30 DGEDHN CC[C@H](C)N[C@@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413276147 529181601 /nfs/dbraw/zinc/18/16/01/529181601.db2.gz CEYSEYLWOMXFMQ-FZMZJTMJSA-N 0 3 302.353 3.227 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ccc(F)cc1C#N ZINC000177923022 529201615 /nfs/dbraw/zinc/20/16/15/529201615.db2.gz DYOSQZWDFCWUIX-HNNXBMFYSA-N 0 3 318.396 3.083 20 30 DGEDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429775171 529229316 /nfs/dbraw/zinc/22/93/16/529229316.db2.gz OONBYGKUFJPBJP-NHYWBVRUSA-N 0 3 305.809 3.318 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C(C)(C)C)nn1C ZINC000330757334 529271641 /nfs/dbraw/zinc/27/16/41/529271641.db2.gz KXDSNTLIUMGHLN-CQSZACIVSA-N 0 3 320.481 3.287 20 30 DGEDHN CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)CN2CCCCC2)c1C ZINC000331106991 529290946 /nfs/dbraw/zinc/29/09/46/529290946.db2.gz GUUXPMIDSMAPPL-KBPBESRZSA-N 0 3 321.469 3.363 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353233767 529349587 /nfs/dbraw/zinc/34/95/87/529349587.db2.gz WQEDAFQXKBMAFB-UKPHBRMFSA-N 0 3 319.474 3.187 20 30 DGEDHN CC[C@H](CNc1ncc(Br)cc1C#N)N1CCCC1 ZINC000296544063 529373791 /nfs/dbraw/zinc/37/37/91/529373791.db2.gz OCWUWFXSTYJZSX-CYBMUJFWSA-N 0 3 323.238 3.002 20 30 DGEDHN CC(C)N1CCc2nc(CN[C@H]3CC[C@@H](CC#N)C3)sc2C1 ZINC000449447242 535254477 /nfs/dbraw/zinc/25/44/77/535254477.db2.gz XKBOJYWHZQMAAC-KBPBESRZSA-N 0 3 318.490 3.082 20 30 DGEDHN CO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)CC1(C)C ZINC000456156179 536675573 /nfs/dbraw/zinc/67/55/73/536675573.db2.gz YGMQPSWEKDQNPS-DLBZAZTESA-N 0 3 314.429 3.032 20 30 DGEDHN COc1ccc(CN[C@@H]2CCC[C@H]2OC)cc1OCCCC#N ZINC000449524831 536897899 /nfs/dbraw/zinc/89/78/99/536897899.db2.gz SJYUTDIDHLGAQG-HZPDHXFCSA-N 0 3 318.417 3.035 20 30 DGEDHN C=C(C)CN1CCC(NCc2ncccc2C(F)(F)F)CC1 ZINC000152579574 546004413 /nfs/dbraw/zinc/00/44/13/546004413.db2.gz NADHVNNXWIYTIR-UHFFFAOYSA-N 0 3 313.367 3.231 20 30 DGEDHN C=CCOCCNCc1ccc(Cl)c(Br)c1 ZINC000303551042 546439842 /nfs/dbraw/zinc/43/98/42/546439842.db2.gz QDJZRQHMCYQLTF-UHFFFAOYSA-N 0 3 304.615 3.395 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000668370414 547446760 /nfs/dbraw/zinc/44/67/60/547446760.db2.gz WZISCYXDSFIFRX-IRXDYDNUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)ccc1OC ZINC000668737718 547525447 /nfs/dbraw/zinc/52/54/47/547525447.db2.gz BMWLWMZYJZFOQL-DNVCBOLYSA-N 0 3 319.445 3.100 20 30 DGEDHN Fc1ccc(C#CCN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000676557047 548380245 /nfs/dbraw/zinc/38/02/45/548380245.db2.gz FFRZKZDKKOUOCG-OALUTQOASA-N 0 3 320.411 3.245 20 30 DGEDHN C=C(C)[C@H](NC[C@H]1CNc2ccnn2C1)c1ccc(F)c(F)c1 ZINC000684194256 549590808 /nfs/dbraw/zinc/59/08/08/549590808.db2.gz DQLNWPQVWMREMO-PXAZEXFGSA-N 0 3 318.371 3.110 20 30 DGEDHN CC[C@](C)(NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000730816909 574536607 /nfs/dbraw/zinc/53/66/07/574536607.db2.gz CZKMMXNWCHDSOG-SFHVURJKSA-N 0 3 305.385 3.016 20 30 DGEDHN C#CCOc1cccc(NC(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000731042726 574542265 /nfs/dbraw/zinc/54/22/65/574542265.db2.gz ZUEZJVGFSPUYLN-UHFFFAOYSA-N 0 3 323.396 3.404 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@]1(O)CCCc2ccccc21 ZINC000731361200 574547823 /nfs/dbraw/zinc/54/78/23/574547823.db2.gz ZJTJBSQHJYJUFM-NRFANRHFSA-N 0 3 321.420 3.012 20 30 DGEDHN C#CCOc1ccc(CNCCOc2ccc(C)cc2C)cc1 ZINC000733322604 574615477 /nfs/dbraw/zinc/61/54/77/574615477.db2.gz PDMQSJGTOIEDCN-UHFFFAOYSA-N 0 3 309.409 3.484 20 30 DGEDHN C#CCOc1ccc(CNCCO[C@H]2CCCC[C@H]2C)cc1 ZINC000733325090 574615956 /nfs/dbraw/zinc/61/59/56/574615956.db2.gz WVBHBGLHSJQAEU-APWZRJJASA-N 0 3 301.430 3.384 20 30 DGEDHN C=CCc1cc(CNCc2ccc(C#N)cc2)cc(OC)c1O ZINC000733324732 574616000 /nfs/dbraw/zinc/61/60/00/574616000.db2.gz WTHHFWVDAVMOKI-UHFFFAOYSA-N 0 3 308.381 3.291 20 30 DGEDHN CCOCCCN1CCC(=NOCc2ccccc2)[C@@H](C)C1 ZINC000735226804 574691506 /nfs/dbraw/zinc/69/15/06/574691506.db2.gz AURYPEDCTGLVHJ-INIZCTEOSA-N 0 3 304.434 3.328 20 30 DGEDHN C[C@@H]1C[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000740881638 574945053 /nfs/dbraw/zinc/94/50/53/574945053.db2.gz CESVNYFTEDEVQW-JHJVBQTASA-N 0 3 313.426 3.203 20 30 DGEDHN C[C@@H]1CC(N=Nc2nc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000741459872 574958351 /nfs/dbraw/zinc/95/83/51/574958351.db2.gz GCVBHOYPFVYSFD-SNVBAGLBSA-N 0 3 319.796 3.272 20 30 DGEDHN C[C@H]1CC(N=Nc2nc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000741459871 574958292 /nfs/dbraw/zinc/95/82/92/574958292.db2.gz GCVBHOYPFVYSFD-JTQLQIEISA-N 0 3 319.796 3.272 20 30 DGEDHN C#CCOc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000741671027 574965934 /nfs/dbraw/zinc/96/59/34/574965934.db2.gz RBOUSGNCMKMEJC-UHFFFAOYSA-N 0 3 308.381 3.013 20 30 DGEDHN C#CCOc1ccccc1CNCCc1nc2c(cccc2C)o1 ZINC000742710218 575014214 /nfs/dbraw/zinc/01/42/14/575014214.db2.gz UQFKLLCBFSWWJO-UHFFFAOYSA-N 0 3 320.392 3.481 20 30 DGEDHN C#CCN(C[C@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1 ZINC000743863591 575066339 /nfs/dbraw/zinc/06/63/39/575066339.db2.gz USTJGDBEQLXWQJ-UTKZUKDTSA-N 0 3 323.436 3.295 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1 ZINC000744022424 575068737 /nfs/dbraw/zinc/06/87/37/575068737.db2.gz OXQXTQYWWIMQMH-ZIAGYGMSSA-N 0 3 304.390 3.097 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccco1 ZINC000744027805 575069152 /nfs/dbraw/zinc/06/91/52/575069152.db2.gz DUDIAJISFPNKBH-QWRGUYRKSA-N 0 3 316.744 3.384 20 30 DGEDHN C=CCCOC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000744048917 575069769 /nfs/dbraw/zinc/06/97/69/575069769.db2.gz FPCXXXFNBFTHMA-INIZCTEOSA-N 0 3 301.386 3.282 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CC[C@H](C)O3)nc21 ZINC000744159749 575075363 /nfs/dbraw/zinc/07/53/63/575075363.db2.gz DUTBGLLXONOXBV-MELADBBJSA-N 0 3 311.385 3.395 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CC[C@H](C)O3)[nH]c21 ZINC000744159749 575075366 /nfs/dbraw/zinc/07/53/66/575075366.db2.gz DUTBGLLXONOXBV-MELADBBJSA-N 0 3 311.385 3.395 20 30 DGEDHN CC(C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000744212590 575078645 /nfs/dbraw/zinc/07/86/45/575078645.db2.gz RUPRZQWCQACIKL-GFCCVEGCSA-N 0 3 301.415 3.060 20 30 DGEDHN CCCCCCCCc1nnc(NC(=O)[C@@H]2CCN(C)C2)s1 ZINC000729283329 575231984 /nfs/dbraw/zinc/23/19/84/575231984.db2.gz LJOGKQSXJJPMNL-CYBMUJFWSA-N 0 3 324.494 3.331 20 30 DGEDHN C#CCN(C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)C1CCCCC1 ZINC000744843237 575359965 /nfs/dbraw/zinc/35/99/65/575359965.db2.gz BIUZZEZEAPMTOR-IAGOWNOFSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCN(C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)C1CCCCC1 ZINC000744857181 575361049 /nfs/dbraw/zinc/36/10/49/575361049.db2.gz ICXBSNHCOLPMNK-SJORKVTESA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](CO)c2ccccc2C)cc1 ZINC000747100971 575496125 /nfs/dbraw/zinc/49/61/25/575496125.db2.gz ZVYJLCJUKMCRLQ-HXUWFJFHSA-N 0 3 309.409 3.220 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](COC)Cc2ccccc2)cc1 ZINC000747100538 575496626 /nfs/dbraw/zinc/49/66/26/575496626.db2.gz JXBCWSDMICDHEQ-HXUWFJFHSA-N 0 3 323.436 3.436 20 30 DGEDHN CCC[C@H](C)CC(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000749056021 575624277 /nfs/dbraw/zinc/62/42/77/575624277.db2.gz ODLHTYITDITBSF-QWRGUYRKSA-N 0 3 308.403 3.322 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H](C)CC(=O)Nc1ccccc1 ZINC000749127753 575628876 /nfs/dbraw/zinc/62/88/76/575628876.db2.gz DESCVGXSVJZBRR-INIZCTEOSA-N 0 3 322.408 3.206 20 30 DGEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)ccn1 ZINC000749523324 575663480 /nfs/dbraw/zinc/66/34/80/575663480.db2.gz UBRYBDJJWIIGIT-RTBURBONSA-N 0 3 307.397 3.041 20 30 DGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cnn(C)c1 ZINC000750679501 575745050 /nfs/dbraw/zinc/74/50/50/575745050.db2.gz ASTBNLXUPYBWIJ-PWSUYJOCSA-N 0 3 310.382 3.010 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(C#N)cc1 ZINC000751527605 575788715 /nfs/dbraw/zinc/78/87/15/575788715.db2.gz XDQNDQBFKBNNRV-HNNXBMFYSA-N 0 3 304.397 3.478 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(C#N)cc1 ZINC000751527606 575788745 /nfs/dbraw/zinc/78/87/45/575788745.db2.gz XDQNDQBFKBNNRV-OAHLLOKOSA-N 0 3 304.397 3.478 20 30 DGEDHN C[C@@H](NC(=S)NN=C1CCCC[C@H]1N1CCCCC1)C1CC1 ZINC000751531506 575789263 /nfs/dbraw/zinc/78/92/63/575789263.db2.gz LNHHKJOFBRBGGD-CZUORRHYSA-N 0 3 322.522 3.034 20 30 DGEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000752113339 575823650 /nfs/dbraw/zinc/82/36/50/575823650.db2.gz RQXCTIWIPQWWGV-DJIMGWMZSA-N 0 3 300.402 3.041 20 30 DGEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000752301186 575831631 /nfs/dbraw/zinc/83/16/31/575831631.db2.gz NHUHVXUKIROEJQ-FRRDWIJNSA-N 0 3 313.426 3.060 20 30 DGEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000752318497 575832122 /nfs/dbraw/zinc/83/21/22/575832122.db2.gz MUVWTMRJLCUYOR-AGIUHOORSA-N 0 3 313.426 3.203 20 30 DGEDHN C#Cc1cccc(NC(=S)N(C)C2CCN(C(C)C)CC2)c1 ZINC000726456335 576024611 /nfs/dbraw/zinc/02/46/11/576024611.db2.gz UXWCYMZKKFGVDY-UHFFFAOYSA-N 0 3 315.486 3.169 20 30 DGEDHN C#Cc1cccc(NC(=S)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000726475834 576027443 /nfs/dbraw/zinc/02/74/43/576027443.db2.gz RUGSGEWYEWECTB-LSDHHAIUSA-N 0 3 315.486 3.075 20 30 DGEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccn2C)ccc1OC ZINC000738429689 576123644 /nfs/dbraw/zinc/12/36/44/576123644.db2.gz BAOSHISBQQPMMT-INIZCTEOSA-N 0 3 313.401 3.004 20 30 DGEDHN C#CCNC(=O)[C@H](C)NCC1(c2ccccc2)CCCCCC1 ZINC000727464365 576126692 /nfs/dbraw/zinc/12/66/92/576126692.db2.gz KQYXLPGMASBBEZ-KRWDZBQOSA-N 0 3 312.457 3.006 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1nc2ccccc2n1C(F)F ZINC000740535210 576197883 /nfs/dbraw/zinc/19/78/83/576197883.db2.gz LAVHIPCNDQTLQU-QWRGUYRKSA-N 0 3 319.311 3.034 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC2CCCC2)c1 ZINC000916890533 620649303 /nfs/dbraw/zinc/64/93/03/620649303.db2.gz KSFJWTBTQMHBEX-MRXNPFEDSA-N 0 3 314.385 3.313 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917075419 620655027 /nfs/dbraw/zinc/65/50/27/620655027.db2.gz NCSQUADHQRMPNB-CYBMUJFWSA-N 0 3 313.426 3.347 20 30 DGEDHN CC(C)[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917102108 620656958 /nfs/dbraw/zinc/65/69/58/620656958.db2.gz XMZCDBXVIWBDKM-STQMWFEESA-N 0 3 315.442 3.449 20 30 DGEDHN C#C[C@@H](/N=C/c1ccc(N(CC)CC)cc1O)C1CCOCC1 ZINC000852999173 620658859 /nfs/dbraw/zinc/65/88/59/620658859.db2.gz XPYLXPUNUPATGM-SQVRNEIYSA-N 0 3 314.429 3.086 20 30 DGEDHN C=CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000917168558 620659197 /nfs/dbraw/zinc/65/91/97/620659197.db2.gz WAQZHZSZBDVZIP-CYBMUJFWSA-N 0 3 313.426 3.369 20 30 DGEDHN C[C@H]1CN(c2ccccc2C=NN2CCCC[C@@H]2C)CCO1 ZINC000853380960 620690845 /nfs/dbraw/zinc/69/08/45/620690845.db2.gz UJLTUJFUBJTBTM-HOTGVXAUSA-N 0 3 301.434 3.120 20 30 DGEDHN C=CCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000918065151 620695707 /nfs/dbraw/zinc/69/57/07/620695707.db2.gz OSDVFPSVJMTPOF-SFHVURJKSA-N 0 3 315.461 3.430 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@](C)(c2ccccc2)CC1=O ZINC000853597588 620714490 /nfs/dbraw/zinc/71/44/90/620714490.db2.gz BXIZIBNWURTYOY-WSTZPKSXSA-N 0 3 310.441 3.317 20 30 DGEDHN Cc1csc(C(C#N)C(=O)CSc2cc(C)ccn2)n1 ZINC000918755827 620724062 /nfs/dbraw/zinc/72/40/62/620724062.db2.gz BEQKDIROERNMRJ-LLVKDONJSA-N 0 3 303.412 3.124 20 30 DGEDHN CC(C)(C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216411 617722732 /nfs/dbraw/zinc/72/27/32/617722732.db2.gz QZDADCJIMDUMFY-SNVBAGLBSA-N 0 3 300.280 3.092 20 30 DGEDHN CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC000121262549 617900665 /nfs/dbraw/zinc/90/06/65/617900665.db2.gz BRCHZRSTZJZPAI-UHFFFAOYSA-N 0 3 321.396 3.044 20 30 DGEDHN N#Cc1cc(CN2CCCN3c4ccccc4C[C@H]3C2)cs1 ZINC000894537894 618377080 /nfs/dbraw/zinc/37/70/80/618377080.db2.gz YZOUBINTTOTKCL-INIZCTEOSA-N 0 3 309.438 3.257 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895100672 618536892 /nfs/dbraw/zinc/53/68/92/618536892.db2.gz DTMXILIXMWXBHP-LLVKDONJSA-N 0 3 302.365 3.483 20 30 DGEDHN O=C1[C@@H]([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CCCN1[O-] ZINC000895157692 618557616 /nfs/dbraw/zinc/55/76/16/618557616.db2.gz DRAKJLMSCCGNBO-HOTGVXAUSA-N 0 3 320.820 3.246 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccc3[nH]c(=O)[nH]c3c2)C2CC2)cc1 ZINC000893929140 618677842 /nfs/dbraw/zinc/67/78/42/618677842.db2.gz NWCHQSYEXLZFDP-UHFFFAOYSA-N 0 3 318.380 3.305 20 30 DGEDHN C#CC1(O)CCN(Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000895382241 618776526 /nfs/dbraw/zinc/77/65/26/618776526.db2.gz AMHWWQKHCWSSTQ-UHFFFAOYSA-N 0 3 321.420 3.322 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@](C)(NCc2csc(C#N)c2)C1 ZINC000895484833 618791834 /nfs/dbraw/zinc/79/18/34/618791834.db2.gz ZSEWJBJIBMAPFE-INIZCTEOSA-N 0 3 321.446 3.109 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(OC)c(C(C)(C)C)c2)CC1 ZINC000895671875 618816396 /nfs/dbraw/zinc/81/63/96/618816396.db2.gz ZUVNDKXWQIAMFK-UHFFFAOYSA-N 0 3 315.457 3.343 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@H]1C[C@@]1(C)Br ZINC000895785013 618830696 /nfs/dbraw/zinc/83/06/96/618830696.db2.gz AXQPWEBOZXXXKX-HUUCEWRRSA-N 0 3 307.235 3.206 20 30 DGEDHN C[C@]1(CNCc2cc(C#N)cnc2Cl)CCOC2(CCC2)C1 ZINC000895820063 618835916 /nfs/dbraw/zinc/83/59/16/618835916.db2.gz DSHXBPBNMMWSRO-INIZCTEOSA-N 0 3 319.836 3.436 20 30 DGEDHN CN(CCc1ccc2c(c1)OCO2)Cc1csc(C#N)c1 ZINC000896067719 618869791 /nfs/dbraw/zinc/86/97/91/618869791.db2.gz CPVMYELIVLAQEB-UHFFFAOYSA-N 0 3 300.383 3.023 20 30 DGEDHN COc1cccc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000896660075 618940433 /nfs/dbraw/zinc/94/04/33/618940433.db2.gz JPVVPNUZZZYZEK-KRWDZBQOSA-N 0 3 322.412 3.038 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896925766 618986702 /nfs/dbraw/zinc/98/67/02/618986702.db2.gz PDHQEUJJUBQHHN-RDJZCZTQSA-N 0 3 311.429 3.028 20 30 DGEDHN CCOC(=O)C1(C(F)(F)F)CCN(C[C@H](C)CCC#N)CC1 ZINC000896961501 618995261 /nfs/dbraw/zinc/99/52/61/618995261.db2.gz AKRKFEHNBGJMFK-GFCCVEGCSA-N 0 3 320.355 3.134 20 30 DGEDHN CN(CC(=O)NCCC1=CCCCC1)CC(C)(C)CCC#N ZINC000897377165 619100257 /nfs/dbraw/zinc/10/02/57/619100257.db2.gz CTQBPVZOSRGEDB-UHFFFAOYSA-N 0 3 305.466 3.255 20 30 DGEDHN C=CCOc1cccc(CN[C@@]23CCC[C@]2(OCC)OCC3)c1 ZINC000897978800 619202697 /nfs/dbraw/zinc/20/26/97/619202697.db2.gz SKMHRSJBPGBCOJ-MOPGFXCFSA-N 0 3 317.429 3.417 20 30 DGEDHN N#CC1(c2ccc(CNCc3ccc4nonc4c3)cc2)CC1 ZINC000897989801 619203977 /nfs/dbraw/zinc/20/39/77/619203977.db2.gz JNCBAUDVHOBVME-UHFFFAOYSA-N 0 3 304.353 3.068 20 30 DGEDHN C#CCN(C(=S)Nc1ccc(C)c(C)c1)C1CCN(C)CC1 ZINC000899614036 619360987 /nfs/dbraw/zinc/36/09/87/619360987.db2.gz URPFZTVIDZKJRA-UHFFFAOYSA-N 0 3 315.486 3.030 20 30 DGEDHN C=CCN1CCC(NC(=O)c2c(OC)cccc2C(F)F)CC1 ZINC000900598837 619439685 /nfs/dbraw/zinc/43/96/85/619439685.db2.gz LPQXPLZDCAUOBI-UHFFFAOYSA-N 0 3 324.371 3.013 20 30 DGEDHN C[C@@H]1CC(NN=C2CCCC[C@@H]2N2CCCCC2)C[C@@H](C)O1 ZINC000901309401 619483750 /nfs/dbraw/zinc/48/37/50/619483750.db2.gz AAYJASOALUESHS-RKVPGOIHSA-N 0 3 307.482 3.317 20 30 DGEDHN C#CC[N@H+](Cc1c([O-])ccc2ccccc21)C1CCN(C)CC1 ZINC000902538838 619647056 /nfs/dbraw/zinc/64/70/56/619647056.db2.gz VZTRWLSEJHAQRG-UHFFFAOYSA-N 0 3 308.425 3.075 20 30 DGEDHN C#CC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCN(C)CC1 ZINC000902538838 619647057 /nfs/dbraw/zinc/64/70/57/619647057.db2.gz VZTRWLSEJHAQRG-UHFFFAOYSA-N 0 3 308.425 3.075 20 30 DGEDHN C[C@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1cc(C#N)ccn1 ZINC000902757803 619671192 /nfs/dbraw/zinc/67/11/92/619671192.db2.gz YSWDNAMQYAXHQY-SCLBCKFNSA-N 0 3 312.392 3.046 20 30 DGEDHN COc1ccc(OCCCN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902764302 619672760 /nfs/dbraw/zinc/67/27/60/619672760.db2.gz BMRKVDSPXHCREJ-CQSZACIVSA-N 0 3 311.385 3.082 20 30 DGEDHN C[C@H](NCCCSc1nccs1)c1cc(C#N)ccn1 ZINC000902808596 619676430 /nfs/dbraw/zinc/67/64/30/619676430.db2.gz LKFDFWMHTIMAFS-NSHDSACASA-N 0 3 304.444 3.243 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902810090 619680788 /nfs/dbraw/zinc/68/07/88/619680788.db2.gz PSTKERHWKFLOPC-PBHICJAKSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902889263 619688954 /nfs/dbraw/zinc/68/89/54/619688954.db2.gz FYNCHYUVKWRLCA-YJLNNSPDSA-N 0 3 306.413 3.049 20 30 DGEDHN C[C@H](NC[C@](C)(O)c1ccccc1Cl)c1cc(C#N)ccn1 ZINC000902954279 619696803 /nfs/dbraw/zinc/69/68/03/619696803.db2.gz UPBZHTDXSYYIGG-SJCJKPOMSA-N 0 3 315.804 3.165 20 30 DGEDHN C[C@@H](NC[C@]1(O)CCCC(C)(C)CC1)c1cc(C#N)ccn1 ZINC000903073156 619715497 /nfs/dbraw/zinc/71/54/97/619715497.db2.gz NXKIGGBNXIEMFV-KDOFPFPSSA-N 0 3 301.434 3.325 20 30 DGEDHN C=CCC[C@@H](NCC(=O)NCC(F)F)c1cccc(Cl)c1 ZINC000903166342 619728786 /nfs/dbraw/zinc/72/87/86/619728786.db2.gz BYAZQTVXAZWICT-CYBMUJFWSA-N 0 3 316.779 3.318 20 30 DGEDHN C[C@H](NC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000903180340 619731219 /nfs/dbraw/zinc/73/12/19/619731219.db2.gz ZZZPOJQCQQPXBV-PXWWUCIGSA-N 0 3 316.298 3.458 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc3c(c2)ncn3C)cc1 ZINC000903204659 619736391 /nfs/dbraw/zinc/73/63/91/619736391.db2.gz SWKIWGYIJQVTIQ-OAHLLOKOSA-N 0 3 319.408 3.436 20 30 DGEDHN C[C@@H](N[C@@H](CO)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000903293423 619752418 /nfs/dbraw/zinc/75/24/18/619752418.db2.gz SAYGZLQFGUHWDZ-RHSMWYFYSA-N 0 3 312.388 3.342 20 30 DGEDHN C=CCc1ccc(-c2nc(C(F)(F)F)n3c2CNCC3)cc1 ZINC000904841117 619954644 /nfs/dbraw/zinc/95/46/44/619954644.db2.gz ZGRGFVGZTWJMGZ-UHFFFAOYSA-N 0 3 307.319 3.401 20 30 DGEDHN Cc1sc(/C=C2\C(=O)c3ncnn3C2C)cc1Br ZINC000905085624 619968763 /nfs/dbraw/zinc/96/87/63/619968763.db2.gz OTHLKEICKJZZLB-HDXZXNKZSA-N 0 3 324.203 3.251 20 30 DGEDHN Cc1sc(/C=C2/C(=O)c3ncnn3C2C)cc1Br ZINC000905085626 619968770 /nfs/dbraw/zinc/96/87/70/619968770.db2.gz OTHLKEICKJZZLB-MCBRIQSPSA-N 0 3 324.203 3.251 20 30 DGEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1C(F)(F)F ZINC000905087137 619969074 /nfs/dbraw/zinc/96/90/74/619969074.db2.gz WGHWVTQXOMLTGO-ISAHRAOESA-N 0 3 307.275 3.446 20 30 DGEDHN C#CC[C@@H](NC[C@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000905187450 619976606 /nfs/dbraw/zinc/97/66/06/619976606.db2.gz GJVZVINRUYJNEE-OLZOCXBDSA-N 0 3 321.289 3.289 20 30 DGEDHN CCN1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000910274433 620282864 /nfs/dbraw/zinc/28/28/64/620282864.db2.gz OKOGJAWQTDLWJS-HNNXBMFYSA-N 0 3 313.445 3.044 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000912065473 620361531 /nfs/dbraw/zinc/36/15/31/620361531.db2.gz OMGHOZGDBXFNKA-IAGOWNOFSA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000912464356 620387536 /nfs/dbraw/zinc/38/75/36/620387536.db2.gz SKODRVQZSQNCEK-ZIAGYGMSSA-N 0 3 308.422 3.162 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@@H](C)N1CCc2ccccc2C1 ZINC000914558462 620541871 /nfs/dbraw/zinc/54/18/71/620541871.db2.gz VZRSCJSZVUEQAM-NWGMWSOJSA-N 0 3 324.424 3.267 20 30 DGEDHN CCCCCCCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000914879853 620559322 /nfs/dbraw/zinc/55/93/22/620559322.db2.gz ULLVOTFEVKRLPN-KRWDZBQOSA-N 0 3 310.482 3.060 20 30 DGEDHN CC(C)CO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000920790099 620822832 /nfs/dbraw/zinc/82/28/32/620822832.db2.gz OKPAGBLCSHSPPK-RISCZKNCSA-N 0 3 322.792 3.048 20 30 DGEDHN CC(C)Oc1ccc([C@@H](O)CNCc2csc(C#N)c2)cc1 ZINC000921749670 620944543 /nfs/dbraw/zinc/94/45/43/620944543.db2.gz PSFVAYCTDOVFHU-KRWDZBQOSA-N 0 3 316.426 3.230 20 30 DGEDHN CC(C)Oc1cccc([C@H](O)CNCc2csc(C#N)c2)c1 ZINC000921753459 620945048 /nfs/dbraw/zinc/94/50/48/620945048.db2.gz CPHBKCHDIVJSDD-QGZVFWFLSA-N 0 3 316.426 3.230 20 30 DGEDHN C[C@@](O)(CNCc1csc(C#N)c1)c1cccc(Cl)c1 ZINC000922000506 620978928 /nfs/dbraw/zinc/97/89/28/620978928.db2.gz LXDFNDYELZGTOT-OAHLLOKOSA-N 0 3 306.818 3.270 20 30 DGEDHN COCCC1(NCc2cc(C#N)ccc2Br)CCC1 ZINC000922080797 620986416 /nfs/dbraw/zinc/98/64/16/620986416.db2.gz FXSUUMUMASEQQO-UHFFFAOYSA-N 0 3 323.234 3.370 20 30 DGEDHN C[C@@]1(CNCc2csc(C#N)c2)OCCc2sccc21 ZINC000922138690 620994008 /nfs/dbraw/zinc/99/40/08/620994008.db2.gz JTBGNRTZBTZARK-HNNXBMFYSA-N 0 3 304.440 3.259 20 30 DGEDHN CO[C@](C)(CNCc1cc(C#N)ccc1Br)C1CC1 ZINC000922142003 620994529 /nfs/dbraw/zinc/99/45/29/620994529.db2.gz FGRDTSOGDPZYTN-OAHLLOKOSA-N 0 3 323.234 3.225 20 30 DGEDHN CO[C@H]([C@H](C)NCc1cc(C#N)ccc1Br)C1CC1 ZINC000922166692 620999704 /nfs/dbraw/zinc/99/97/04/620999704.db2.gz SGMVKNYGTFTPQM-ZUZCIYMTSA-N 0 3 323.234 3.224 20 30 DGEDHN C[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)CS1 ZINC000922182041 621001842 /nfs/dbraw/zinc/00/18/42/621001842.db2.gz DVTKLYUCPGYVOB-CABZTGNLSA-N 0 3 311.248 3.304 20 30 DGEDHN CC(C)n1nccc1[C@@H]1OCC[C@H]1NCc1csc(C#N)c1 ZINC000922292374 621018168 /nfs/dbraw/zinc/01/81/68/621018168.db2.gz CQSHPLSFGPGZAB-GDBMZVCRSA-N 0 3 316.430 3.017 20 30 DGEDHN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1csc(C#N)c1 ZINC000922318416 621023329 /nfs/dbraw/zinc/02/33/29/621023329.db2.gz TUORNHWUUOYUHX-INIZCTEOSA-N 0 3 320.845 3.356 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3c(c2)ncn3C)cc1 ZINC000922480438 621041975 /nfs/dbraw/zinc/04/19/75/621041975.db2.gz FXBITEQBJVXEOV-CQSZACIVSA-N 0 3 320.396 3.154 20 30 DGEDHN COC(C)(C)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000922583853 621062094 /nfs/dbraw/zinc/06/20/94/621062094.db2.gz VOCHDGSBOWRDCQ-JTQLQIEISA-N 0 3 311.223 3.224 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000922893302 621120650 /nfs/dbraw/zinc/12/06/50/621120650.db2.gz GCDZNONYEXBGOG-IBGZPJMESA-N 0 3 311.429 3.309 20 30 DGEDHN N#Cc1ccc(CNC[C@@]2(c3ccccc3)CCCO2)c(F)c1 ZINC000922960111 621136776 /nfs/dbraw/zinc/13/67/76/621136776.db2.gz KNJWFDLTVMBWHY-LJQANCHMSA-N 0 3 310.372 3.493 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)nc1 ZINC000858012659 621144613 /nfs/dbraw/zinc/14/46/13/621144613.db2.gz KOYNGOVKESLPRD-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN C#CCC1(NCc2cn3ccc(Br)cc3n2)CCC1 ZINC000922997161 621145134 /nfs/dbraw/zinc/14/51/34/621145134.db2.gz GDNDFXSUZJITHU-UHFFFAOYSA-N 0 3 318.218 3.132 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1ccc(Br)cc1F ZINC000858331777 621176711 /nfs/dbraw/zinc/17/67/11/621176711.db2.gz HAENMEIPGMCVFH-ZDUSSCGKSA-N 0 3 314.198 3.106 20 30 DGEDHN C#CC[C@H](CCOC)NCc1cc(Br)ccc1F ZINC000858332651 621177135 /nfs/dbraw/zinc/17/71/35/621177135.db2.gz ZAZNBYOSOUMPKK-CYBMUJFWSA-N 0 3 314.198 3.106 20 30 DGEDHN C#CC[C@H](CCOC)NCc1cccc(Br)c1F ZINC000858335369 621177464 /nfs/dbraw/zinc/17/74/64/621177464.db2.gz YCTAQGUCBMULOS-GFCCVEGCSA-N 0 3 314.198 3.106 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1cccc(Br)c1F ZINC000858335370 621177482 /nfs/dbraw/zinc/17/74/82/621177482.db2.gz YCTAQGUCBMULOS-LBPRGKRZSA-N 0 3 314.198 3.106 20 30 DGEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(F)c1 ZINC000116593392 621255636 /nfs/dbraw/zinc/25/56/36/621255636.db2.gz YIGTVNNLNVSCQO-LRDDRELGSA-N 0 3 316.376 3.087 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCc3cc(-c4ccccc4)oc3C2)CC1 ZINC000859197537 621259230 /nfs/dbraw/zinc/25/92/30/621259230.db2.gz JLEKDPGQBKAUAE-KRWDZBQOSA-N 0 3 322.408 3.359 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000838786651 621280728 /nfs/dbraw/zinc/28/07/28/621280728.db2.gz KBKMOZXSYWIPKW-DGCLKSJQSA-N 0 3 308.328 3.324 20 30 DGEDHN CC(C)(C)OC(=O)Nc1ccc(CNCC(C)(C)CC#N)cn1 ZINC000839163212 621349547 /nfs/dbraw/zinc/34/95/47/621349547.db2.gz KNEWEFULSPMQRJ-UHFFFAOYSA-N 0 3 318.421 3.458 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccc(Cl)cn3)CC2)C1 ZINC000839203483 621351624 /nfs/dbraw/zinc/35/16/24/621351624.db2.gz ZGZRNTQATMUJJX-JSGCOSHPSA-N 0 3 305.809 3.270 20 30 DGEDHN CCC#C[C@@H](C)N1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860137473 621370237 /nfs/dbraw/zinc/37/02/37/621370237.db2.gz GMCZJIQTLUKSEN-DNVCBOLYSA-N 0 3 301.430 3.243 20 30 DGEDHN COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C2CC2)cn1 ZINC000860206263 621381805 /nfs/dbraw/zinc/38/18/05/621381805.db2.gz GRFGIFVFVMDWIG-IBGZPJMESA-N 0 3 323.396 3.233 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H](C)C(F)(F)F)c1 ZINC000860469416 621408462 /nfs/dbraw/zinc/40/84/62/621408462.db2.gz QSTYYAJJLFZEJZ-CMPLNLGQSA-N 0 3 312.291 3.231 20 30 DGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C12CC(C1)C2 ZINC000860468640 621408480 /nfs/dbraw/zinc/40/84/80/621408480.db2.gz DZZVDUYOBIZARV-IHBYNMNLSA-N 0 3 304.349 3.287 20 30 DGEDHN CCC[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000860472515 621408648 /nfs/dbraw/zinc/40/86/48/621408648.db2.gz BNPSGFLFPRJNLJ-LSDHHAIUSA-N 0 3 318.804 3.211 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861719421 621534524 /nfs/dbraw/zinc/53/45/24/621534524.db2.gz HYXAJIUFYHVDKJ-BZSNNMDCSA-N 0 3 324.509 3.041 20 30 DGEDHN CC(=O)C(C)(C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000755748790 621590397 /nfs/dbraw/zinc/59/03/97/621590397.db2.gz MNJUICYMSJYPNK-OAHLLOKOSA-N 0 3 314.385 3.038 20 30 DGEDHN CCOC(=O)CC(C)(C)CN1CCc2c(CC#N)cccc2C1 ZINC000862542215 621598941 /nfs/dbraw/zinc/59/89/41/621598941.db2.gz IKRTYFYNZHTJOZ-UHFFFAOYSA-N 0 3 314.429 3.090 20 30 DGEDHN Cc1sc2ncnc(N=NC3CN(C4CC4)C[C@H]3C)c2c1C ZINC000755882243 621599640 /nfs/dbraw/zinc/59/96/40/621599640.db2.gz ZFDNZMNPSSCSHJ-SECBINFHSA-N 0 3 315.446 3.190 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863031919 621634160 /nfs/dbraw/zinc/63/41/60/621634160.db2.gz KJBFAOZFDZOEIL-IRXDYDNUSA-N 0 3 323.481 3.091 20 30 DGEDHN Nc1ccc2c(c1)CCC2=NNCCCOCc1ccccc1 ZINC000863177660 621645136 /nfs/dbraw/zinc/64/51/36/621645136.db2.gz PYVLPOXSDHYMHA-UHFFFAOYSA-N 0 3 309.413 3.116 20 30 DGEDHN CN(C)C(=O)OC[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000839602646 621698905 /nfs/dbraw/zinc/69/89/05/621698905.db2.gz WLNJPZQMRXBUPQ-MRXNPFEDSA-N 0 3 321.465 3.403 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000120235562 621811757 /nfs/dbraw/zinc/81/17/57/621811757.db2.gz IRGBTQJNPHZOSV-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=CSCc2ccco2)nc(C)n1 ZINC000759821000 621893538 /nfs/dbraw/zinc/89/35/38/621893538.db2.gz GCAWEASSDBGUMY-DYLGSBMWSA-N 0 3 313.382 3.310 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNC[C@H]1OCCc2ccccc21 ZINC000865460892 621927017 /nfs/dbraw/zinc/92/70/17/621927017.db2.gz QFTDXOBNKGFSKU-HXUWFJFHSA-N 0 3 321.424 3.028 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000760346589 621933844 /nfs/dbraw/zinc/93/38/44/621933844.db2.gz SMKFIKAMVNAKIB-ATNYBXOESA-N 0 3 315.417 3.130 20 30 DGEDHN Cc1ccc(N(C)C(C)C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000760358276 621935432 /nfs/dbraw/zinc/93/54/32/621935432.db2.gz OUFOBIPCFALKHH-HNNXBMFYSA-N 0 3 308.385 3.120 20 30 DGEDHN Cc1csc(CNC2CCN(c3ccccc3C#N)CC2)n1 ZINC000865696586 621979457 /nfs/dbraw/zinc/97/94/57/621979457.db2.gz GRCQQTYHNYAKDN-UHFFFAOYSA-N 0 3 312.442 3.082 20 30 DGEDHN C=CCCn1cc(CNC2CCC(OC(C)(C)C)CC2)nn1 ZINC000865697917 621979767 /nfs/dbraw/zinc/97/97/67/621979767.db2.gz DJSLPWMWLZZMMA-UHFFFAOYSA-N 0 3 306.454 3.070 20 30 DGEDHN CCO[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(C)C ZINC000761065889 621983623 /nfs/dbraw/zinc/98/36/23/621983623.db2.gz WFPQSNJDKYVVSR-WBMJQRKESA-N 0 3 300.358 3.455 20 30 DGEDHN C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1cccc(C#N)c1[O-] ZINC000866217785 622068352 /nfs/dbraw/zinc/06/83/52/622068352.db2.gz HJFRDJPSWUABRW-OAHLLOKOSA-N 0 3 301.434 3.036 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)c(F)c1 ZINC000762615977 622087202 /nfs/dbraw/zinc/08/72/02/622087202.db2.gz RUGRBUNPJFIRQQ-QLFBSQMISA-N 0 3 308.447 3.167 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccccc1CC#N ZINC000866354992 622101435 /nfs/dbraw/zinc/10/14/35/622101435.db2.gz QPCGKVHCOJMGGR-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C=C(Cl)CNCc1ccccc1N1CCN(CCC)CC1 ZINC000763432379 622145764 /nfs/dbraw/zinc/14/57/64/622145764.db2.gz HAFYMDVIBMWFFP-UHFFFAOYSA-N 0 3 307.869 3.061 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(C)cc1 ZINC000121768648 622180624 /nfs/dbraw/zinc/18/06/24/622180624.db2.gz YMYMZIKPKRAKCB-HOCLYGCPSA-N 0 3 300.402 3.112 20 30 DGEDHN C=CCOc1cccnc1C(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867986862 622200640 /nfs/dbraw/zinc/20/06/40/622200640.db2.gz FUDPKHXFHKNPPO-QGZVFWFLSA-N 0 3 323.396 3.085 20 30 DGEDHN Cc1cccc(CNN=Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000764710713 622214906 /nfs/dbraw/zinc/21/49/06/622214906.db2.gz XWAPIOUPQYIENO-UHFFFAOYSA-N 0 3 306.413 3.469 20 30 DGEDHN C[C@](O)(CNCc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000764981268 622237159 /nfs/dbraw/zinc/23/71/59/622237159.db2.gz SCYGJYQNALOYBP-KRWDZBQOSA-N 0 3 318.779 3.348 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(N2CCOCC2)c1 ZINC000765016764 622240214 /nfs/dbraw/zinc/24/02/14/622240214.db2.gz ZDZWAXAXKDMXAD-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1sccc1CC#N ZINC000868628674 622265903 /nfs/dbraw/zinc/26/59/03/622265903.db2.gz CTXXHJWEIAFTEX-HNNXBMFYSA-N 0 3 319.474 3.054 20 30 DGEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000805308138 622276128 /nfs/dbraw/zinc/27/61/28/622276128.db2.gz ADEGYJAVMLIVFZ-BBRMVZONSA-N 0 3 321.852 3.044 20 30 DGEDHN C=CC[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccncc1 ZINC000766017394 622300522 /nfs/dbraw/zinc/30/05/22/622300522.db2.gz BEAAFCMQUIOPDE-KBXCAEBGSA-N 0 3 320.400 3.025 20 30 DGEDHN C#CCN(Cc1ccc(OCC(F)(F)F)nc1)C1CCCC1 ZINC000766091526 622305144 /nfs/dbraw/zinc/30/51/44/622305144.db2.gz MZXMAXOQOXARLZ-UHFFFAOYSA-N 0 3 312.335 3.401 20 30 DGEDHN Cc1cc(CNC[C@@H](O)c2c(F)cccc2Cl)ccc1C#N ZINC000767690218 622415867 /nfs/dbraw/zinc/41/58/67/622415867.db2.gz JXUSNVIVLLSBHR-MRXNPFEDSA-N 0 3 318.779 3.482 20 30 DGEDHN C#CCN1CCC(C(=O)NCC2CCC(C(C)(C)C)CC2)CC1 ZINC000123147299 622471054 /nfs/dbraw/zinc/47/10/54/622471054.db2.gz CZBVSWZMBPOWCE-UHFFFAOYSA-N 0 3 318.505 3.300 20 30 DGEDHN CN(CCc1ccccc1F)Cc1cnc2ccc(C#N)cn12 ZINC000769027420 622493445 /nfs/dbraw/zinc/49/34/45/622493445.db2.gz AXCWNIUNDHOFPQ-UHFFFAOYSA-N 0 3 308.360 3.020 20 30 DGEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000769960751 622582615 /nfs/dbraw/zinc/58/26/15/622582615.db2.gz HOJSZRWPCAJKSU-LPHOPBHVSA-N 0 3 309.409 3.047 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000770050279 622595087 /nfs/dbraw/zinc/59/50/87/622595087.db2.gz PVLVVYGWUOKHCS-VQIMIIECSA-N 0 3 300.446 3.378 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259399 622734428 /nfs/dbraw/zinc/73/44/28/622734428.db2.gz ZPNIKWFPINADFT-ITDFMYJTSA-N 0 3 312.760 3.032 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068892 622787402 /nfs/dbraw/zinc/78/74/02/622787402.db2.gz KKPAUVIOMCRPRJ-HSMVNMDESA-N 0 3 308.353 3.366 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872279176 622879233 /nfs/dbraw/zinc/87/92/33/622879233.db2.gz CLXVODADAAJXOG-GOSISDBHSA-N 0 3 314.429 3.490 20 30 DGEDHN COc1ccc(C[C@@H](C)C=Nn2cnnc2)cc1C(C)(C)C ZINC000872324740 622891338 /nfs/dbraw/zinc/89/13/38/622891338.db2.gz ZEHRTJNDDUQPHT-CYBMUJFWSA-N 0 3 300.406 3.297 20 30 DGEDHN C[NH+]1CCC(CN=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000872392200 622903071 /nfs/dbraw/zinc/90/30/71/622903071.db2.gz WCRNXRKVFZKZMF-UHFFFAOYSA-N 0 3 301.419 3.032 20 30 DGEDHN CC(C)(C)[C@@H](Cn1ccnc1)NCc1ccc(C#N)cc1F ZINC000772918203 622953949 /nfs/dbraw/zinc/95/39/49/622953949.db2.gz HHGGETRJNWOHDJ-MRXNPFEDSA-N 0 3 300.381 3.098 20 30 DGEDHN C=CCCC[C@H](C)NCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873100713 623036788 /nfs/dbraw/zinc/03/67/88/623036788.db2.gz CAXJASIYSZNDTN-HNNXBMFYSA-N 0 3 314.433 3.169 20 30 DGEDHN C=CCCC[C@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000773871692 623081570 /nfs/dbraw/zinc/08/15/70/623081570.db2.gz LCOGINAGFKKYDB-XJKSGUPXSA-N 0 3 319.376 3.467 20 30 DGEDHN C=CCCC[C@@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000773871688 623081626 /nfs/dbraw/zinc/08/16/26/623081626.db2.gz LCOGINAGFKKYDB-CJNGLKHVSA-N 0 3 319.376 3.467 20 30 DGEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773977241 623095183 /nfs/dbraw/zinc/09/51/83/623095183.db2.gz VLQHDOGOZHYDPF-ZFWWWQNUSA-N 0 3 300.402 3.084 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480716 623151516 /nfs/dbraw/zinc/15/15/16/623151516.db2.gz CGHMRVNJFQZCLA-JKSUJKDBSA-N 0 3 317.477 3.216 20 30 DGEDHN Cc1cc(CN2CCC(O)(c3ccccc3)CC2)ccc1C#N ZINC000775071883 623226833 /nfs/dbraw/zinc/22/68/33/623226833.db2.gz QONHBAHDEIENEE-UHFFFAOYSA-N 0 3 306.409 3.350 20 30 DGEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000775226810 623243631 /nfs/dbraw/zinc/24/36/31/623243631.db2.gz KLURBNJBUNMVOD-GFCCVEGCSA-N 0 3 316.744 3.132 20 30 DGEDHN CC(=N[N-]c1[nH+]ccn1C)c1ccc(F)c(Br)c1 ZINC000790307609 625633320 /nfs/dbraw/zinc/63/33/20/625633320.db2.gz ZXYBSGJEQBDDGV-UHFFFAOYSA-N 0 3 311.158 3.158 20 30 DGEDHN CC[C@](C)(NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000775390406 623265437 /nfs/dbraw/zinc/26/54/37/623265437.db2.gz MJHBCGBBLJLVQR-KRWDZBQOSA-N 0 3 313.426 3.473 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)COc1cc(C)cc(C)c1)c1ccccc1 ZINC000775398577 623267815 /nfs/dbraw/zinc/26/78/15/623267815.db2.gz KAGATGXBOOHXMJ-TZIWHRDSSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775399442 623269104 /nfs/dbraw/zinc/26/91/04/623269104.db2.gz HFZWWNDSJONVRX-ZWKOTPCHSA-N 0 3 301.336 3.352 20 30 DGEDHN C=CCc1cc(CNCc2ccn(C)c2)cc(OC)c1OC ZINC000125041436 623291847 /nfs/dbraw/zinc/29/18/47/623291847.db2.gz KMYUDKKZJQNJBZ-UHFFFAOYSA-N 0 3 300.402 3.061 20 30 DGEDHN C#CCCN1CCN([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000776594562 623445243 /nfs/dbraw/zinc/44/52/43/623445243.db2.gz MYBRCGLYAOFADA-AWEZNQCLSA-N 0 3 310.363 3.407 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000876552688 623641590 /nfs/dbraw/zinc/64/15/90/623641590.db2.gz AHHJBVAETKFTMP-BBRMVZONSA-N 0 3 306.837 3.284 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Br)ccc1C ZINC000876575598 623648582 /nfs/dbraw/zinc/64/85/82/623648582.db2.gz LMCGPBDIDLBBCQ-JTQLQIEISA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000876577129 623649567 /nfs/dbraw/zinc/64/95/67/623649567.db2.gz RDVKYZORTZYLED-WCQYABFASA-N 0 3 306.793 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 ZINC000876583723 623650816 /nfs/dbraw/zinc/65/08/16/623650816.db2.gz OQAYTQWFISNFDR-NXEZZACHSA-N 0 3 313.854 3.066 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccccc1OCC ZINC000876591168 623654074 /nfs/dbraw/zinc/65/40/74/623654074.db2.gz IJFIVVVDUCQFFB-ZIAGYGMSSA-N 0 3 310.825 3.123 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccccc1OCC ZINC000876591163 623654102 /nfs/dbraw/zinc/65/41/02/623654102.db2.gz IJFIVVVDUCQFFB-KGLIPLIRSA-N 0 3 310.825 3.123 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000876591254 623654280 /nfs/dbraw/zinc/65/42/80/623654280.db2.gz JSMPASFIYPMEFZ-CVEARBPZSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccccc1Cl ZINC000876595013 623654894 /nfs/dbraw/zinc/65/48/94/623654894.db2.gz XZXALVIXZUQVDV-CYBMUJFWSA-N 0 3 301.217 3.158 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000876607951 623658266 /nfs/dbraw/zinc/65/82/66/623658266.db2.gz VGLDHRKUDLRINX-YPMHNXCESA-N 0 3 306.793 3.388 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000876606708 623658362 /nfs/dbraw/zinc/65/83/62/623658362.db2.gz DLFTZQRWVGNDIX-MRXNPFEDSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000876606544 623658577 /nfs/dbraw/zinc/65/85/77/623658577.db2.gz BSPIJXLFLYWQIU-LBPRGKRZSA-N 0 3 320.742 3.134 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000876612200 623659050 /nfs/dbraw/zinc/65/90/50/623659050.db2.gz FDLLMQULZNXFOD-JTQLQIEISA-N 0 3 313.854 3.211 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000876610374 623659339 /nfs/dbraw/zinc/65/93/39/623659339.db2.gz BTVXARZKYOIYSR-CQSZACIVSA-N 0 3 319.792 3.367 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000876628156 623663755 /nfs/dbraw/zinc/66/37/55/623663755.db2.gz GTCDKAXLGMTTLM-LSDHHAIUSA-N 0 3 306.837 3.385 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000876647522 623669462 /nfs/dbraw/zinc/66/94/62/623669462.db2.gz LIOQUMCQSOLXHP-LSDHHAIUSA-N 0 3 310.800 3.253 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000876655566 623671339 /nfs/dbraw/zinc/67/13/39/623671339.db2.gz OIZOGDYUWBWGEX-HNNXBMFYSA-N 0 3 310.800 3.002 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000876664397 623674232 /nfs/dbraw/zinc/67/42/32/623674232.db2.gz UVCRQKILMAGRDD-JTQLQIEISA-N 0 3 304.724 3.005 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000876663735 623674459 /nfs/dbraw/zinc/67/44/59/623674459.db2.gz CIAHKWYURWHBHK-RDJZCZTQSA-N 0 3 306.837 3.037 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000876671974 623677000 /nfs/dbraw/zinc/67/70/00/623677000.db2.gz JGPQADKBCWZHNP-LBPRGKRZSA-N 0 3 310.829 3.256 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000876672041 623677083 /nfs/dbraw/zinc/67/70/83/623677083.db2.gz RSMCHYNNEROBQB-WKPIXPDZSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000876685688 623682366 /nfs/dbraw/zinc/68/23/66/623682366.db2.gz ULFMGOUMQLJKGQ-RCBQFDQVSA-N 0 3 306.837 3.109 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1O[C@H](C)CC ZINC000876692296 623683684 /nfs/dbraw/zinc/68/36/84/623683684.db2.gz PUWJJRFDGOSQAN-HIFRSBDPSA-N 0 3 324.852 3.258 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000876737158 623692027 /nfs/dbraw/zinc/69/20/27/623692027.db2.gz OYBFJOVINZUHMY-AWEZNQCLSA-N 0 3 318.808 3.102 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1NCC(F)(F)F ZINC000876734581 623692244 /nfs/dbraw/zinc/69/22/44/623692244.db2.gz HQSKCJJRQQZPQQ-VIFPVBQESA-N 0 3 321.730 3.069 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000876741735 623694094 /nfs/dbraw/zinc/69/40/94/623694094.db2.gz YJAWYUGJERVLAF-CQSZACIVSA-N 0 3 305.809 3.460 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(OCC2CC2)CC1 ZINC000876772480 623702246 /nfs/dbraw/zinc/70/22/46/623702246.db2.gz NUMWRSJFTJNTBS-UHFFFAOYSA-N 0 3 313.445 3.015 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000876771337 623702947 /nfs/dbraw/zinc/70/29/47/623702947.db2.gz QDAWYJRWHLICST-INIZCTEOSA-N 0 3 321.852 3.475 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC4(CCCC4)C3)C2=O)cc1 ZINC000778945055 623714351 /nfs/dbraw/zinc/71/43/51/623714351.db2.gz APMRXFBFEFJEQN-GOSISDBHSA-N 0 3 323.440 3.320 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000876881783 623735020 /nfs/dbraw/zinc/73/50/20/623735020.db2.gz PBSLHINLYJBNAZ-WCXIOVBPSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000876896251 623739377 /nfs/dbraw/zinc/73/93/77/623739377.db2.gz YQFLFWAIDHZGJQ-INIZCTEOSA-N 0 3 320.864 3.339 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000876910660 623741879 /nfs/dbraw/zinc/74/18/79/623741879.db2.gz IFXNMZXWSJSYFG-WDEREUQCSA-N 0 3 324.774 3.037 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1oc2c(cccc2C)c1C ZINC000876947482 623751967 /nfs/dbraw/zinc/75/19/67/623751967.db2.gz AVXVGLDQPWTOLP-AWEZNQCLSA-N 0 3 320.820 3.478 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000876956102 623753700 /nfs/dbraw/zinc/75/37/00/623753700.db2.gz GTPPXJLKNIKPEG-WBVHZDCISA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1F)CC(C)C ZINC000876986993 623760654 /nfs/dbraw/zinc/76/06/54/623760654.db2.gz OSXAWMKLIGXVCW-HNNXBMFYSA-N 0 3 312.816 3.280 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000877042626 623774551 /nfs/dbraw/zinc/77/45/51/623774551.db2.gz SNSQOLZEYHGKOT-HUUCEWRRSA-N 0 3 324.827 3.390 20 30 DGEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1C ZINC000877085239 623787343 /nfs/dbraw/zinc/78/73/43/623787343.db2.gz RVDQELIBVBVMQG-HNNXBMFYSA-N 0 3 303.406 3.134 20 30 DGEDHN Cc1cc(F)ccc1CCNCc1cc(C#N)cnc1Cl ZINC000877110679 623793182 /nfs/dbraw/zinc/79/31/82/623793182.db2.gz CDAYVMBYANBKNP-UHFFFAOYSA-N 0 3 303.768 3.387 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000877117575 623794973 /nfs/dbraw/zinc/79/49/73/623794973.db2.gz JONXRMWFABBPGU-RRFJBIMHSA-N 0 3 317.820 3.044 20 30 DGEDHN C#CCCCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000779832019 623817057 /nfs/dbraw/zinc/81/70/57/623817057.db2.gz KNNHDALJMHWQBD-UHFFFAOYSA-N 0 3 312.457 3.135 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@]1(C)Cc1ccc(C)cc1 ZINC000877203434 623826414 /nfs/dbraw/zinc/82/64/14/623826414.db2.gz CLXXASKUHLDHRO-SJLPKXTDSA-N 0 3 320.864 3.389 20 30 DGEDHN CCN(CC)c1ccc(C=NN[C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000780252175 623896076 /nfs/dbraw/zinc/89/60/76/623896076.db2.gz GQKUPBVENRCWTP-HNNXBMFYSA-N 0 3 319.449 3.120 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000780434730 623928808 /nfs/dbraw/zinc/92/88/08/623928808.db2.gz QVTUMYAGXMRNKJ-SFHVURJKSA-N 0 3 300.446 3.298 20 30 DGEDHN COc1cccc(C)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609730 623961104 /nfs/dbraw/zinc/96/11/04/623961104.db2.gz NJXQYUBWMCJEJG-GOSISDBHSA-N 0 3 310.397 3.041 20 30 DGEDHN Cc1ccncc1CCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745316 624018414 /nfs/dbraw/zinc/01/84/14/624018414.db2.gz PMYXHMVWTVHMJA-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN CN(C[C@H]1CCCN1CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000878148999 624189208 /nfs/dbraw/zinc/18/92/08/624189208.db2.gz LXNGLPXZQNSSCD-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN CSC[C@H]1CCCN1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878199454 624213470 /nfs/dbraw/zinc/21/34/70/624213470.db2.gz AOLSJKLSAGCJBP-MSOLQXFVSA-N 0 3 316.470 3.254 20 30 DGEDHN CC1(C)CCC[C@@H]1NN=Cc1ccc(N2CCOCC2)cc1 ZINC000782286345 624233086 /nfs/dbraw/zinc/23/30/86/624233086.db2.gz GNCCICBIFGRXQY-KRWDZBQOSA-N 0 3 301.434 3.025 20 30 DGEDHN C[C@H](NCC1OCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782522941 624259419 /nfs/dbraw/zinc/25/94/19/624259419.db2.gz HOVRQOOCYLCFGK-AWEZNQCLSA-N 0 3 308.381 3.249 20 30 DGEDHN C=C(C)CN(CCCOC(F)(F)F)Cc1ccc(CO)o1 ZINC000878606388 624320047 /nfs/dbraw/zinc/32/00/47/624320047.db2.gz KNOBSUROYNQRCP-UHFFFAOYSA-N 0 3 307.312 3.077 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCCCS1 ZINC000783351100 624339708 /nfs/dbraw/zinc/33/97/08/624339708.db2.gz TWLIRYHBQSNQPA-STQMWFEESA-N 0 3 322.817 3.273 20 30 DGEDHN C(=NOCCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000783552792 624364851 /nfs/dbraw/zinc/36/48/51/624364851.db2.gz KAQHCEHGGVANPK-UHFFFAOYSA-N 0 3 302.418 3.454 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000879258387 624468220 /nfs/dbraw/zinc/46/82/20/624468220.db2.gz ZQJRANKUHDKZCK-HNNXBMFYSA-N 0 3 315.461 3.326 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)CCc1cccc(C#N)c1 ZINC000879433492 624547045 /nfs/dbraw/zinc/54/70/45/624547045.db2.gz USVMTPAUOKMTLM-UHFFFAOYSA-N 0 3 305.381 3.113 20 30 DGEDHN COc1ccc([C@@H]2CN(Cc3ccc(C#N)c(C)c3)CCN2)cc1 ZINC000879524324 624577548 /nfs/dbraw/zinc/57/75/48/624577548.db2.gz UNBUAOLGEBTXPU-FQEVSTJZSA-N 0 3 321.424 3.022 20 30 DGEDHN C#C[C@H](C)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784880178 624592027 /nfs/dbraw/zinc/59/20/27/624592027.db2.gz OMZMSDYXFVQSDF-INIZCTEOSA-N 0 3 307.393 3.497 20 30 DGEDHN COC[C@H](N[C@@H](C)CCC#N)c1cccc(Br)c1 ZINC000879663715 624631894 /nfs/dbraw/zinc/63/18/94/624631894.db2.gz QZTRFGBUYMUIAR-FZMZJTMJSA-N 0 3 311.223 3.418 20 30 DGEDHN Cc1cncc([C@@H]2CCCN2CCOc2ccc(C#N)cc2)c1 ZINC000879748839 624663288 /nfs/dbraw/zinc/66/32/88/624663288.db2.gz QFHGSZDJDBCROO-IBGZPJMESA-N 0 3 307.397 3.478 20 30 DGEDHN C[C@H](CN(C)[C@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000785445613 624667479 /nfs/dbraw/zinc/66/74/79/624667479.db2.gz SAAVPNOPSIHWHQ-ZIAGYGMSSA-N 0 3 317.433 3.464 20 30 DGEDHN C[C@H](CN(C)[C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000785445610 624667539 /nfs/dbraw/zinc/66/75/39/624667539.db2.gz SAAVPNOPSIHWHQ-KGLIPLIRSA-N 0 3 317.433 3.464 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCN(CCCSCC#N)CC1 ZINC000880248449 624867966 /nfs/dbraw/zinc/86/79/66/624867966.db2.gz UESQVUGOHRWKNY-INIZCTEOSA-N 0 3 303.475 3.012 20 30 DGEDHN CC(C)C[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533373 624913059 /nfs/dbraw/zinc/91/30/59/624913059.db2.gz DLQIPISGMIHSOC-WFASDCNBSA-N 0 3 320.820 3.347 20 30 DGEDHN C=CCCC[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1 ZINC000880388169 624947493 /nfs/dbraw/zinc/94/74/93/624947493.db2.gz IZNGINXRGPOMJZ-QGZVFWFLSA-N 0 3 322.412 3.210 20 30 DGEDHN C#CCC1(O)CCN(Cc2oc(-c3ccccc3)nc2C)CC1 ZINC000880482801 624965369 /nfs/dbraw/zinc/96/53/69/624965369.db2.gz RGZVNHPSFIQYKB-UHFFFAOYSA-N 0 3 310.397 3.000 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065535 624975042 /nfs/dbraw/zinc/97/50/42/624975042.db2.gz HYNRURNZRRSPFP-YOEHRIQHSA-N 0 3 314.429 3.426 20 30 DGEDHN C[C@@H]1CCC[C@@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787068710 624975970 /nfs/dbraw/zinc/97/59/70/624975970.db2.gz ZIGMPIBMIZQXIZ-OIISXLGYSA-N 0 3 312.413 3.180 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000787310830 624999568 /nfs/dbraw/zinc/99/95/68/624999568.db2.gz QWEFGISUAQLASU-MRXNPFEDSA-N 0 3 304.409 3.203 20 30 DGEDHN COc1cc([N-][NH+]=Cc2cnccc2N(C)C)ccc1Cl ZINC000788472783 625191295 /nfs/dbraw/zinc/19/12/95/625191295.db2.gz ZEVUHNFIGWCWAH-UHFFFAOYSA-N 0 3 304.781 3.256 20 30 DGEDHN C[C@H](NC(=O)Nc1ccc(C2CC2)c(C#N)c1)C1=CCN(C)CC1 ZINC000881123300 625249808 /nfs/dbraw/zinc/24/98/08/625249808.db2.gz XXVAAYFDQXLGKK-ZDUSSCGKSA-N 0 3 324.428 3.208 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000791000029 625734397 /nfs/dbraw/zinc/73/43/97/625734397.db2.gz RLWVGKJDUNZYKU-UHFFFAOYSA-N 0 3 310.353 3.205 20 30 DGEDHN N#CC(C(=O)CCc1ccncc1)c1nccc2ccccc21 ZINC000792098055 625909445 /nfs/dbraw/zinc/90/94/45/625909445.db2.gz ANXQDVGLVLXAIT-KRWDZBQOSA-N 0 3 301.349 3.439 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccc(CC)cc1 ZINC000796449428 626051391 /nfs/dbraw/zinc/05/13/91/626051391.db2.gz NLCZZBUUVDSNFC-IBGZPJMESA-N 0 3 309.409 3.084 20 30 DGEDHN N#CC(C(=O)CCc1cnc2ccccc2c1)c1ccccn1 ZINC000796631129 626067793 /nfs/dbraw/zinc/06/77/93/626067793.db2.gz HGDDODBPJHLNOI-INIZCTEOSA-N 0 3 301.349 3.439 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC000796638145 626068439 /nfs/dbraw/zinc/06/84/39/626068439.db2.gz YTWCWTAPWKEPAW-TZMCWYRMSA-N 0 3 320.339 3.332 20 30 DGEDHN C=CCC[C@@H](NC[C@H](O)COc1cccc(F)c1)c1ccco1 ZINC000796701956 626074551 /nfs/dbraw/zinc/07/45/51/626074551.db2.gz JTSXJMQNFVAQHW-DOTOQJQBSA-N 0 3 319.376 3.456 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000798494292 626220959 /nfs/dbraw/zinc/22/09/59/626220959.db2.gz BTLWJXAGYXLMBU-SFHVURJKSA-N 0 3 317.477 3.157 20 30 DGEDHN CC(=NNCC(C)(C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000799115337 626272880 /nfs/dbraw/zinc/27/28/80/626272880.db2.gz VKOXAUWKKWTEMG-UHFFFAOYSA-N 0 3 317.477 3.399 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1C#N ZINC000799367277 626296514 /nfs/dbraw/zinc/29/65/14/626296514.db2.gz GMLXWCYYXFPTGS-BEFAXECRSA-N 0 3 321.424 3.288 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000800409997 626357510 /nfs/dbraw/zinc/35/75/10/626357510.db2.gz RGZXWXCDGHITQU-SWLSCSKDSA-N 0 3 320.820 3.491 20 30 DGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000802796878 626573527 /nfs/dbraw/zinc/57/35/27/626573527.db2.gz KXLSQJVIDFAIKL-DOMZBBRYSA-N 0 3 320.820 3.491 20 30 DGEDHN CC1(C)CC(C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000802797282 626573571 /nfs/dbraw/zinc/57/35/71/626573571.db2.gz TWTCARACTLCBBE-AWEZNQCLSA-N 0 3 318.804 3.101 20 30 DGEDHN C=CCCC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000883202442 626606776 /nfs/dbraw/zinc/60/67/76/626606776.db2.gz BIWPPHROUOLJAU-RDJZCZTQSA-N 0 3 309.475 3.497 20 30 DGEDHN C=CCCC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000883202443 626606931 /nfs/dbraw/zinc/60/69/31/626606931.db2.gz BIWPPHROUOLJAU-WBVHZDCISA-N 0 3 309.475 3.497 20 30 DGEDHN C=CCC[C@H](Cc1ccccc1)N[C@H](C)c1nnnn1C1CC1 ZINC000883219408 626613166 /nfs/dbraw/zinc/61/31/66/626613166.db2.gz SGGQAKIWQFKFMG-GDBMZVCRSA-N 0 3 311.433 3.236 20 30 DGEDHN C=CCC[C@@H](COc1ccccc1)NCc1snnc1C ZINC000883224794 626614556 /nfs/dbraw/zinc/61/45/56/626614556.db2.gz TYFLNQYGDMOODD-AWEZNQCLSA-N 0 3 303.431 3.350 20 30 DGEDHN C#CC1(NCc2cc(OC)c(OCC)c(OC)c2)CCCC1 ZINC000883362535 626661542 /nfs/dbraw/zinc/66/15/42/626661542.db2.gz GIWUVBQCWFYJFC-UHFFFAOYSA-N 0 3 303.402 3.138 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(CC)c(Cl)c2)CC1 ZINC000804647105 626699181 /nfs/dbraw/zinc/69/91/81/626699181.db2.gz FIJWFEALKYGBAN-UHFFFAOYSA-N 0 3 304.821 3.186 20 30 DGEDHN CC(C)(C)c1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884045060 626809703 /nfs/dbraw/zinc/80/97/03/626809703.db2.gz GGAKMEJSUOIMMZ-SHBDPFAUSA-N 0 3 311.429 3.062 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000809965567 626963507 /nfs/dbraw/zinc/96/35/07/626963507.db2.gz LIIZSVQHKRNKFN-KRWDZBQOSA-N 0 3 324.465 3.475 20 30 DGEDHN C=CC[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccncc1 ZINC000810408474 627005161 /nfs/dbraw/zinc/00/51/61/627005161.db2.gz IBYZOJCJADBHIT-YJBOKZPZSA-N 0 3 319.424 3.028 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1(CCF)CC1 ZINC000810529819 627012287 /nfs/dbraw/zinc/01/22/87/627012287.db2.gz ONFIEPIJKUMVAA-GFCCVEGCSA-N 0 3 308.740 3.127 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1(F)CCCCC1 ZINC000810709778 627039629 /nfs/dbraw/zinc/03/96/29/627039629.db2.gz JUZVEDHCKCEUSM-OAHLLOKOSA-N 0 3 316.376 3.026 20 30 DGEDHN N#CC1(C[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)CCC1 ZINC000885933508 627063375 /nfs/dbraw/zinc/06/33/75/627063375.db2.gz WIGIUFVIYLOVIK-SFHVURJKSA-N 0 3 314.404 3.360 20 30 DGEDHN Cc1nc(C(C)(C)NC[C@@H](O)CC2(C#N)CCC2)sc1C ZINC000886072500 627098697 /nfs/dbraw/zinc/09/86/97/627098697.db2.gz IBMDXCIIVVZIAE-ZDUSSCGKSA-N 0 3 307.463 3.030 20 30 DGEDHN CC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000886111916 627107005 /nfs/dbraw/zinc/10/70/05/627107005.db2.gz LACFIBAVFHPLJJ-CJNGLKHVSA-N 0 3 308.372 3.450 20 30 DGEDHN COC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000886176823 627117744 /nfs/dbraw/zinc/11/77/44/627117744.db2.gz LXDYMHWEEGIDGS-HOTGVXAUSA-N 0 3 322.836 3.062 20 30 DGEDHN C#CC[C@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000886364441 627143782 /nfs/dbraw/zinc/14/37/82/627143782.db2.gz ZRRJMXAFRFIDHM-NSHDSACASA-N 0 3 318.218 3.171 20 30 DGEDHN C#CCC1(NCc2cc(OC)c(OC)cc2Cl)CCOCC1 ZINC000886379276 627144754 /nfs/dbraw/zinc/14/47/54/627144754.db2.gz UUBXMVXNDVOXSV-UHFFFAOYSA-N 0 3 323.820 3.019 20 30 DGEDHN C#CCN(C(=O)CC(C1CCC1)C1CCC1)C1CCN(C)CC1 ZINC000886573600 627165717 /nfs/dbraw/zinc/16/57/17/627165717.db2.gz OJPNOWPNIXFFBL-UHFFFAOYSA-N 0 3 316.489 3.149 20 30 DGEDHN Cc1nc(C2CCN(Cc3cc(C#N)ccc3F)CC2)[nH]c1C ZINC000886671968 627185767 /nfs/dbraw/zinc/18/57/67/627185767.db2.gz HBCKHBHLBXCWLW-UHFFFAOYSA-N 0 3 312.392 3.417 20 30 DGEDHN C=CCC1(O)CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000886761625 627200742 /nfs/dbraw/zinc/20/07/42/627200742.db2.gz ICYXBJYWDJYZEG-UHFFFAOYSA-N 0 3 300.377 3.277 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000886773792 627203172 /nfs/dbraw/zinc/20/31/72/627203172.db2.gz BAJYBCILUCUEMJ-UHFFFAOYSA-N 0 3 317.429 3.155 20 30 DGEDHN C=CCC1(O)CCN(CCc2nsc3ccccc32)CC1 ZINC000886778454 627203706 /nfs/dbraw/zinc/20/37/06/627203706.db2.gz BBRHHNRFLPFRNN-UHFFFAOYSA-N 0 3 302.443 3.242 20 30 DGEDHN C=C(C)CNN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000811651470 627300057 /nfs/dbraw/zinc/30/00/57/627300057.db2.gz YORUPMQQMNCPPN-UHFFFAOYSA-N 0 3 323.444 3.281 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1NCCC#N ZINC000223916001 627316517 /nfs/dbraw/zinc/31/65/17/627316517.db2.gz UYYRYJQWLVTKDB-SOUVJXGZSA-N 0 3 307.438 3.058 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc3cnn(C)c3c2)cc1 ZINC000812738155 627414619 /nfs/dbraw/zinc/41/46/19/627414619.db2.gz OCSOEHKNKQLAEB-OAHLLOKOSA-N 0 3 319.408 3.436 20 30 DGEDHN CCC#C[C@H](C)N1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000812857947 627430639 /nfs/dbraw/zinc/43/06/39/627430639.db2.gz VSGLKRJDRYNQMU-HNAYVOBHSA-N 0 3 301.430 3.243 20 30 DGEDHN CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889774963 627466078 /nfs/dbraw/zinc/46/60/78/627466078.db2.gz KSQIPCNFBGDXSD-ROUUACIJSA-N 0 3 324.509 3.185 20 30 DGEDHN C[C@H](OCC1CC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215322 627468067 /nfs/dbraw/zinc/46/80/67/627468067.db2.gz WSGHOKVUIMOEFT-JOYOIKCWSA-N 0 3 312.291 3.092 20 30 DGEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214102 627468302 /nfs/dbraw/zinc/46/83/02/627468302.db2.gz SQPIVZFALBADLE-DRCTWCGVSA-N 0 3 314.307 3.338 20 30 DGEDHN CCCCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218405 627468827 /nfs/dbraw/zinc/46/88/27/627468827.db2.gz VVHUYYCMKYJGSE-CMPLNLGQSA-N 0 3 314.307 3.482 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000815061350 627621245 /nfs/dbraw/zinc/62/12/45/627621245.db2.gz RHVPMJVTCKBYLI-SFHVURJKSA-N 0 3 317.454 3.486 20 30 DGEDHN C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000815089847 627625495 /nfs/dbraw/zinc/62/54/95/627625495.db2.gz OCWYDEKHMWNRIU-LRDDRELGSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000924812845 627682685 /nfs/dbraw/zinc/68/26/85/627682685.db2.gz YCEOCNVYQPNUQH-OLZOCXBDSA-N 0 3 308.447 3.069 20 30 DGEDHN CC(C)C[C@@H](N[C@@H](C)CC(C)(C)C#N)C(=O)Nc1nccs1 ZINC000925679338 627775058 /nfs/dbraw/zinc/77/50/58/627775058.db2.gz BWSVSRVNAKQGOJ-QWHCGFSZSA-N 0 3 322.478 3.414 20 30 DGEDHN CCC#C[C@@H](C)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817287029 627877765 /nfs/dbraw/zinc/87/77/65/627877765.db2.gz DMNXUFXGKQGELG-OAHLLOKOSA-N 0 3 306.450 3.264 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@H](CC)C1 ZINC000817414273 627896065 /nfs/dbraw/zinc/89/60/65/627896065.db2.gz DQLPFTVJWRHBQC-UONOGXRCSA-N 0 3 307.821 3.399 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC2(C#N)CC2)CC(C)(C)C1 ZINC000926874294 627967943 /nfs/dbraw/zinc/96/79/43/627967943.db2.gz NTRNFTQETBCZHM-ZIAGYGMSSA-N 0 3 321.465 3.352 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000926879893 627968487 /nfs/dbraw/zinc/96/84/87/627968487.db2.gz MJBYZZRCFGTZFL-HUUCEWRRSA-N 0 3 321.465 3.353 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000818088512 627994144 /nfs/dbraw/zinc/99/41/44/627994144.db2.gz XGZPKVIIBHKNQK-GOSISDBHSA-N 0 3 323.396 3.225 20 30 DGEDHN CC(C)(C)OC(=O)Nc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000818230458 628007288 /nfs/dbraw/zinc/00/72/88/628007288.db2.gz ITJUCMGATLGAKE-GXTWGEPZSA-N 0 3 316.405 3.210 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000818588955 628039395 /nfs/dbraw/zinc/03/93/95/628039395.db2.gz KNMJVKIGJDBESI-QGZVFWFLSA-N 0 3 314.473 3.060 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1c(C)c(C)oc1-c1ccccc1 ZINC000818599583 628040918 /nfs/dbraw/zinc/04/09/18/628040918.db2.gz ZSFIOTORNNYXDB-UHFFFAOYSA-N 0 3 324.424 3.248 20 30 DGEDHN CCOc1cc(C)ccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819149677 628101040 /nfs/dbraw/zinc/10/10/40/628101040.db2.gz KLYFPRHCCUKTTI-GOSISDBHSA-N 0 3 310.397 3.089 20 30 DGEDHN N#Cc1ccc([C@H](O)CNCc2cc(C3CC3)ccc2F)cc1 ZINC000819338374 628135875 /nfs/dbraw/zinc/13/58/75/628135875.db2.gz AFPMXHNBNCKUKI-LJQANCHMSA-N 0 3 310.372 3.398 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000820478039 628263612 /nfs/dbraw/zinc/26/36/12/628263612.db2.gz CQEFLIIDIWZZEO-ROUUACIJSA-N 0 3 313.445 3.411 20 30 DGEDHN CCCCCCCC[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821055861 628332640 /nfs/dbraw/zinc/33/26/40/628332640.db2.gz HYZDIIFOTQQVCP-UHFFFAOYSA-N 0 3 317.437 3.325 20 30 DGEDHN CCCCCCCC[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821055861 628332642 /nfs/dbraw/zinc/33/26/42/628332642.db2.gz HYZDIIFOTQQVCP-UHFFFAOYSA-N 0 3 317.437 3.325 20 30 DGEDHN C#C[C@@H](NCc1ccc(F)cc1C(F)(F)F)C1CCOCC1 ZINC000827566171 628971258 /nfs/dbraw/zinc/97/12/58/628971258.db2.gz SMZTVWDNTQVDLI-OAHLLOKOSA-N 0 3 315.310 3.363 20 30 DGEDHN COc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)ccc1C#N ZINC000827729837 628986277 /nfs/dbraw/zinc/98/62/77/628986277.db2.gz ZCUWUHHLBVYFEW-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN C#CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000830321481 629252591 /nfs/dbraw/zinc/25/25/91/629252591.db2.gz NKAXGLHVDFTRGY-UHFFFAOYSA-N 0 3 322.408 3.055 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)[C@H](CO)CC(C)(C)C ZINC000832093249 629441951 /nfs/dbraw/zinc/44/19/51/629441951.db2.gz CINBXNWHXQQKIW-HNNXBMFYSA-N 0 3 324.852 3.471 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000835144157 629863251 /nfs/dbraw/zinc/86/32/51/629863251.db2.gz BQALEHMHTWVDPD-MDZLAQPJSA-N 0 3 316.357 3.203 20 30 DGEDHN C[C@H]1CCN(C(=O)C#CC(C)(C)C)CCN1Cc1ccccc1 ZINC000837445984 630258788 /nfs/dbraw/zinc/25/87/88/630258788.db2.gz JFLPUDWKWYZFSK-KRWDZBQOSA-N 0 3 312.457 3.159 20 30 DGEDHN CN(C(=O)C#CC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000837445789 630259061 /nfs/dbraw/zinc/25/90/61/630259061.db2.gz CVJRZAWZULOEGG-GOSISDBHSA-N 0 3 312.457 3.159 20 30 DGEDHN CC(C)N1CCCC[C@H]1COC(=O)c1c(F)cc(C#N)cc1F ZINC000837578135 630278650 /nfs/dbraw/zinc/27/86/50/630278650.db2.gz VTTDWZSJFBFSBH-ZDUSSCGKSA-N 0 3 322.355 3.256 20 30 DGEDHN N#CC1(CCOC(=O)C2CCN(C3CC3)CC2)CCCCC1 ZINC000840553508 630337421 /nfs/dbraw/zinc/33/74/21/630337421.db2.gz MZFXZJFEVDRCCH-UHFFFAOYSA-N 0 3 304.434 3.268 20 30 DGEDHN CCOCCON=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841632652 630450007 /nfs/dbraw/zinc/45/00/07/630450007.db2.gz FBZRGHXZTXTCQM-GOSISDBHSA-N 0 3 302.418 3.395 20 30 DGEDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000841894060 630474077 /nfs/dbraw/zinc/47/40/77/630474077.db2.gz LUIZRGNASQEFAZ-KRWDZBQOSA-N 0 3 308.381 3.440 20 30 DGEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842288853 630511335 /nfs/dbraw/zinc/51/13/35/630511335.db2.gz MCSKYNIMVXHDFT-GOEBONIOSA-N 0 3 316.401 3.319 20 30 DGEDHN c1ccc(CN2CCC(=NOC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000842531754 630544764 /nfs/dbraw/zinc/54/47/64/630544764.db2.gz QMZZDPQQIXVYTA-QGZVFWFLSA-N 0 3 314.429 3.224 20 30 DGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(F)CC2)cc1 ZINC000842690574 630563782 /nfs/dbraw/zinc/56/37/82/630563782.db2.gz ZJFUUWWMAXPCEQ-RISCZKNCSA-N 0 3 302.349 3.350 20 30 DGEDHN C[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942273 630596947 /nfs/dbraw/zinc/59/69/47/630596947.db2.gz IFUKZDRZRYXTIA-KOLCDFICSA-N 0 3 320.414 3.175 20 30 DGEDHN CN(CCSc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844368420 630721679 /nfs/dbraw/zinc/72/16/79/630721679.db2.gz DXXRBJNUJHKRBQ-SFHVURJKSA-N 0 3 312.438 3.316 20 30 DGEDHN CN(CCOC1CCCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844369600 630721890 /nfs/dbraw/zinc/72/18/90/630721890.db2.gz MSCWCHPAJBQFTF-IBGZPJMESA-N 0 3 316.445 3.263 20 30 DGEDHN CC(C)O[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000846013876 631206062 /nfs/dbraw/zinc/20/60/62/631206062.db2.gz FKWPDUZNEWIRFU-MAUKXSAKSA-N 0 3 302.418 3.367 20 30 DGEDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)cn1 ZINC000846776131 631302596 /nfs/dbraw/zinc/30/25/96/631302596.db2.gz KXIHHXJVLNFAKC-UHFFFAOYSA-N 0 3 308.429 3.430 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccc3nonc3c2)C2CC2)cc1 ZINC000846783141 631304452 /nfs/dbraw/zinc/30/44/52/631304452.db2.gz YZAPAMQDSOTGEQ-UHFFFAOYSA-N 0 3 304.353 3.259 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)nc1 ZINC000846820802 631318309 /nfs/dbraw/zinc/31/83/09/631318309.db2.gz NGYFPXLASGJOIB-MOPGFXCFSA-N 0 3 307.397 3.041 20 30 DGEDHN C=CCCC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847748756 631531430 /nfs/dbraw/zinc/53/14/30/631531430.db2.gz HPPMIWUVZDHKQO-UHFFFAOYSA-N 0 3 312.413 3.302 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000848396619 631654017 /nfs/dbraw/zinc/65/40/17/631654017.db2.gz NUDCBZKWYZWKDR-SNVBAGLBSA-N 0 3 313.373 3.351 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000848400879 631654761 /nfs/dbraw/zinc/65/47/61/631654761.db2.gz PZRRDMFMFFHQHQ-HOTGVXAUSA-N 0 3 321.371 3.040 20 30 DGEDHN Cc1c(N=NC2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000848405224 631655861 /nfs/dbraw/zinc/65/58/61/631655861.db2.gz DEWPSVFBXLLAKB-INIZCTEOSA-N 0 3 302.378 3.319 20 30 DGEDHN O=[N+]([O-])c1c(F)cccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848411224 631656668 /nfs/dbraw/zinc/65/66/68/631656668.db2.gz VESKRCISTRXLQG-CQSZACIVSA-N 0 3 306.341 3.150 20 30 DGEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848410280 631656750 /nfs/dbraw/zinc/65/67/50/631656750.db2.gz FIRBOGWPUQGNIO-MRXNPFEDSA-N 0 3 302.378 3.319 20 30 DGEDHN C=C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848532962 631681193 /nfs/dbraw/zinc/68/11/93/631681193.db2.gz NJXNDPYLWYQEBE-RKDXNWHRSA-N 0 3 300.196 3.388 20 30 DGEDHN Cc1cc(-c2noc([C@@H](N)CCCCC#N)n2)cc2nc[nH]c21 ZINC000848624078 631711787 /nfs/dbraw/zinc/71/17/87/631711787.db2.gz QAIWUDATVGOWOI-LBPRGKRZSA-N 0 3 310.361 3.005 20 30 DGEDHN CCC(C)(C)N1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000848649855 631718455 /nfs/dbraw/zinc/71/84/55/631718455.db2.gz JWLMEBPWMKMGCY-UHFFFAOYSA-N 0 3 316.474 3.061 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848784928 631748466 /nfs/dbraw/zinc/74/84/66/631748466.db2.gz HUJBWVBZTWRLII-IUODEOHRSA-N 0 3 324.350 3.401 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCO[C@@H]2CC2(F)F)c([O-])c1 ZINC000849169533 631851354 /nfs/dbraw/zinc/85/13/54/631851354.db2.gz DQNBZTNHYMCEAK-MXDDHBLUSA-N 0 3 312.360 3.082 20 30 DGEDHN Cc1ccc(CC2CN(C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000849331652 631895553 /nfs/dbraw/zinc/89/55/53/631895553.db2.gz VQFSBRWZZGBLME-HXUWFJFHSA-N 0 3 306.409 3.075 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccccc1F ZINC000109038448 632022894 /nfs/dbraw/zinc/02/28/94/632022894.db2.gz GKNOBHZCEXEHSS-UKRRQHHQSA-N 0 3 318.392 3.335 20 30 DGEDHN Cc1ccn([C@@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000850783374 632223749 /nfs/dbraw/zinc/22/37/49/632223749.db2.gz ZPYGVYIFZFSCRP-QWHCGFSZSA-N 0 3 308.341 3.160 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850977757 632275269 /nfs/dbraw/zinc/27/52/69/632275269.db2.gz DCYPLKXDDNEFIX-QGZVFWFLSA-N 0 3 324.424 3.324 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850978136 632275296 /nfs/dbraw/zinc/27/52/96/632275296.db2.gz MRZPTMHAKREDSV-IRXDYDNUSA-N 0 3 324.424 3.324 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)[C@@H](C)C1 ZINC000943482596 660189068 /nfs/dbraw/zinc/18/90/68/660189068.db2.gz PPCAZXLDGBJQJI-HMFCVHIJSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C)c2Cl)[C@@H](C)C1 ZINC000943674712 660195997 /nfs/dbraw/zinc/19/59/97/660195997.db2.gz JTWAWSGWROELGN-GOEBONIOSA-N 0 3 318.848 3.112 20 30 DGEDHN N#CC(C(=O)CCC(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000072591250 660203948 /nfs/dbraw/zinc/20/39/48/660203948.db2.gz NSGFUCYLOHXSBI-NSHDSACASA-N 0 3 323.377 3.464 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](C)C1 ZINC000943816443 660201308 /nfs/dbraw/zinc/20/13/08/660201308.db2.gz PGANBLCNQBZHCM-XJKSGUPXSA-N 0 3 304.434 3.338 20 30 DGEDHN C=CCCN1CC(CNC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001032132681 660206604 /nfs/dbraw/zinc/20/66/04/660206604.db2.gz HIBKXRPRQDGAHN-UHFFFAOYSA-N 0 3 312.413 3.287 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2C2CCC2)[C@H](C)C1 ZINC000944492450 660224062 /nfs/dbraw/zinc/22/40/62/660224062.db2.gz PWZOOYVXFXVAJY-OXQOHEQNSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2sccc2C(C)C)[C@@H](C)C1 ZINC000945088428 660240045 /nfs/dbraw/zinc/24/00/45/660240045.db2.gz BJIQQFNZGZWZID-GOEBONIOSA-N 0 3 318.486 3.335 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000945092264 660240780 /nfs/dbraw/zinc/24/07/80/660240780.db2.gz QCNCJEKDEJCITI-RDJZCZTQSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)s2)[C@H](C)C1 ZINC000945178761 660242743 /nfs/dbraw/zinc/24/27/43/660242743.db2.gz GWDLBDIRVYCZHH-CABCVRRESA-N 0 3 318.486 3.335 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)[C@@H](C)C1 ZINC000945332688 660249701 /nfs/dbraw/zinc/24/97/01/660249701.db2.gz FCCMROMXWGJJHA-RDJZCZTQSA-N 0 3 324.424 3.205 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1 ZINC000996229759 660277974 /nfs/dbraw/zinc/27/79/74/660277974.db2.gz VNTHLGOJKYHEPO-QFBILLFUSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC000996229862 660278021 /nfs/dbraw/zinc/27/80/21/660278021.db2.gz WNYRETGWPWOIQF-VQIMIIECSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000997316705 660319190 /nfs/dbraw/zinc/31/91/90/660319190.db2.gz UJSYBSMJPHGCSV-NJAFHUGGSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2oc(CC)cc2C)CC1 ZINC000997391047 660323463 /nfs/dbraw/zinc/32/34/63/660323463.db2.gz UAPGIVHPKKCCNU-OAHLLOKOSA-N 0 3 316.445 3.004 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C[C@H]1C ZINC000947929474 660334259 /nfs/dbraw/zinc/33/42/59/660334259.db2.gz LSPJFJGUTGEIAD-TZMCWYRMSA-N 0 3 304.459 3.394 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2scc(C)c2Cl)CC1 ZINC000997598119 660334677 /nfs/dbraw/zinc/33/46/77/660334677.db2.gz FVLPOZOQDWSXEE-LBPRGKRZSA-N 0 3 324.877 3.173 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccccc2C(C)C)CC1 ZINC000997614955 660335348 /nfs/dbraw/zinc/33/53/48/660335348.db2.gz VIOQCXDFPJOWEQ-INIZCTEOSA-N 0 3 312.457 3.274 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccc3cc[nH]c32)CC1 ZINC000997761498 660342829 /nfs/dbraw/zinc/34/28/29/660342829.db2.gz XIEVLZWMEOEKTN-HNNXBMFYSA-N 0 3 323.440 3.022 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc2ccccc2o1 ZINC001032551687 660344384 /nfs/dbraw/zinc/34/43/84/660344384.db2.gz AREDAKGOEQRLKC-IRXDYDNUSA-N 0 3 324.424 3.227 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2CC(c3ccccc3)C2)CC1 ZINC000997882562 660348732 /nfs/dbraw/zinc/34/87/32/660348732.db2.gz NUJOEMSZINNANT-DZIBYMRMSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)c1C ZINC001032580922 660355383 /nfs/dbraw/zinc/35/53/83/660355383.db2.gz DUFRSEFOCFOVKP-IRXDYDNUSA-N 0 3 315.461 3.242 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000997924025 660356203 /nfs/dbraw/zinc/35/62/03/660356203.db2.gz ZVZAYPUORXUZIQ-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000998005560 660363367 /nfs/dbraw/zinc/36/33/67/660363367.db2.gz GAOISSSVVFHZRP-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc(F)c2C)CC1 ZINC000998013205 660363992 /nfs/dbraw/zinc/36/39/92/660363992.db2.gz QKSTUNNOTKHTEY-MRXNPFEDSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2C=CC=CC=C2)CC1 ZINC000998020396 660364531 /nfs/dbraw/zinc/36/45/31/660364531.db2.gz DEQYEQYLGYWOFK-LJQANCHMSA-N 0 3 312.457 3.011 20 30 DGEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCCN(CC#CC)CC2)cc1 ZINC000998080228 660368322 /nfs/dbraw/zinc/36/83/22/660368322.db2.gz MBLHNOZETMVLIX-HXUWFJFHSA-N 0 3 322.452 3.008 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000998070116 660367356 /nfs/dbraw/zinc/36/73/56/660367356.db2.gz BLHOHRNRXWJDJY-RDGPPVDQSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000998073918 660367387 /nfs/dbraw/zinc/36/73/87/660367387.db2.gz WPABNZFTERCJPL-BRWVUGGUSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2c(Cl)cccc2Cl)C1 ZINC001016087383 660367683 /nfs/dbraw/zinc/36/76/83/660367683.db2.gz GQNBEQPACUMDJY-NSHDSACASA-N 0 3 313.228 3.374 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(Cl)cc2)CC1 ZINC000998176972 660374460 /nfs/dbraw/zinc/37/44/60/660374460.db2.gz PDIXIAYYMIZJHH-QGZVFWFLSA-N 0 3 318.848 3.290 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000998177047 660374854 /nfs/dbraw/zinc/37/48/54/660374854.db2.gz PSKXOEDAVMBQCT-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C)cc2C)CC1 ZINC000998199392 660375556 /nfs/dbraw/zinc/37/55/56/660375556.db2.gz WARVHDQTRHWJBW-SFHVURJKSA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000998200265 660376062 /nfs/dbraw/zinc/37/60/62/660376062.db2.gz ZIESGTIEZDWDAI-KRWDZBQOSA-N 0 3 323.440 3.118 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032607206 660376272 /nfs/dbraw/zinc/37/62/72/660376272.db2.gz IIXGBPQTLKHCJD-LNLFQRSKSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2cc(C(C)C)on2)CC1 ZINC000998085673 660368715 /nfs/dbraw/zinc/36/87/15/660368715.db2.gz SCUABVDQPRWTHV-HNNXBMFYSA-N 0 3 319.449 3.301 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000998816446 660399325 /nfs/dbraw/zinc/39/93/25/660399325.db2.gz BCCPVHQTXCFHQR-FHERZECASA-N 0 3 310.869 3.454 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1F ZINC001032688672 660412207 /nfs/dbraw/zinc/41/22/07/660412207.db2.gz KTTDNZIYUXTAKF-JYJNAYRXSA-N 0 3 316.420 3.181 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cc1 ZINC001032654885 660407296 /nfs/dbraw/zinc/40/72/96/660407296.db2.gz LFKWWHLBVFNCPY-OALUTQOASA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001032685027 660413556 /nfs/dbraw/zinc/41/35/56/660413556.db2.gz MMSDUQTVAJYODD-MNEFBYGVSA-N 0 3 312.457 3.214 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1ccn2C ZINC001032686364 660413742 /nfs/dbraw/zinc/41/37/42/660413742.db2.gz QTWUFGVYJDACGT-HOTGVXAUSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccccc2Cl)C1 ZINC000999735125 660425884 /nfs/dbraw/zinc/42/58/84/660425884.db2.gz HHOGEJZRGVSUNI-UHFFFAOYSA-N 0 3 313.228 3.285 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC000999708400 660426457 /nfs/dbraw/zinc/42/64/57/660426457.db2.gz DMNADNQQEBNBHB-ODIFPOPNSA-N 0 3 320.864 3.430 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001032732984 660435535 /nfs/dbraw/zinc/43/55/35/660435535.db2.gz FQNXZAIGJWLACM-ULQDDVLXSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccc(C)c2)CC1 ZINC001032803208 660451299 /nfs/dbraw/zinc/45/12/99/660451299.db2.gz JESUGUZZWKNBHX-OALUTQOASA-N 0 3 324.468 3.278 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC(C)C ZINC001032810438 660453209 /nfs/dbraw/zinc/45/32/09/660453209.db2.gz FOSBDLLGUAQJQO-ROUUACIJSA-N 0 3 312.457 3.360 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(C)C ZINC001032810771 660453284 /nfs/dbraw/zinc/45/32/84/660453284.db2.gz KKBFLPWVAUQCCQ-ULQDDVLXSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001032810773 660453322 /nfs/dbraw/zinc/45/33/22/660453322.db2.gz KKBFLPWVAUQCCQ-YESZJQIVSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCc2ccccc21 ZINC001032811311 660453814 /nfs/dbraw/zinc/45/38/14/660453814.db2.gz XHAUREAHYOACAX-BBTUJRGHSA-N 0 3 324.468 3.142 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001001994723 660461892 /nfs/dbraw/zinc/46/18/92/660461892.db2.gz NWSIGQUHEJWZLB-MSOLQXFVSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cccc(C3CCCC3)c2)CC1 ZINC001002042556 660462961 /nfs/dbraw/zinc/46/29/61/660462961.db2.gz OVTBSGSXVLBQDZ-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@]3(C)CC=C(C)CC3)C2)C1 ZINC001040541304 660469261 /nfs/dbraw/zinc/46/92/61/660469261.db2.gz ZRFHABLWUDGQBH-VQTJNVASSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2sc(C3CC3)nc2C)CC1 ZINC001002793092 660478045 /nfs/dbraw/zinc/47/80/45/660478045.db2.gz RMCYTFQJOMQMHQ-UHFFFAOYSA-N 0 3 319.474 3.099 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)co2)CC1 ZINC001004285436 660538953 /nfs/dbraw/zinc/53/89/53/660538953.db2.gz PCTYZUCQACRCBQ-UHFFFAOYSA-N 0 3 310.397 3.327 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C2CCC2)CC1 ZINC001004318319 660541466 /nfs/dbraw/zinc/54/14/66/660541466.db2.gz LEEWVNVEMUVWHN-MRXNPFEDSA-N 0 3 310.869 3.242 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nsc3ccccc32)C1 ZINC001033102604 660541562 /nfs/dbraw/zinc/54/15/62/660541562.db2.gz IGTTWVXGKYYSNA-CYBMUJFWSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C(C)(C)C)CC1 ZINC001004597975 660559332 /nfs/dbraw/zinc/55/93/32/660559332.db2.gz BIUHOLIRAILIEF-HNNXBMFYSA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)CC[C@@H]2C1 ZINC000946640904 660562803 /nfs/dbraw/zinc/56/28/03/660562803.db2.gz XKOWBFBMQXXBTB-BHYGNILZSA-N 0 3 324.896 3.346 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033164352 660570740 /nfs/dbraw/zinc/57/07/40/660570740.db2.gz DHTZBJBLVMPBRW-LBPRGKRZSA-N 0 3 312.360 3.248 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)CC[C@@H]2C1 ZINC000946726501 660578978 /nfs/dbraw/zinc/57/89/78/660578978.db2.gz UMZNQLQZFVIGBV-OWCLPIDISA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001033269191 660601793 /nfs/dbraw/zinc/60/17/93/660601793.db2.gz XAABUPIJGNNRKD-RTBURBONSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001033271943 660602288 /nfs/dbraw/zinc/60/22/88/660602288.db2.gz LWOYWWSFDRFFRX-ZIAGYGMSSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc3ccccc3c2C)C1 ZINC001033275458 660602790 /nfs/dbraw/zinc/60/27/90/660602790.db2.gz NCBUHJFJJWJWOQ-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C2CCC2)C2CCC2)C1 ZINC001033362007 660614374 /nfs/dbraw/zinc/61/43/74/660614374.db2.gz RQAOSWOWXLJWFR-KRWDZBQOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001033383485 660617363 /nfs/dbraw/zinc/61/73/63/660617363.db2.gz HWJPRGVEUKALDZ-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2scnc2C(C)(C)C)C1 ZINC001033486349 660626789 /nfs/dbraw/zinc/62/67/89/660626789.db2.gz KOFVBJAAXHZAEA-CYBMUJFWSA-N 0 3 321.490 3.163 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001033588342 660635249 /nfs/dbraw/zinc/63/52/49/660635249.db2.gz CSIQXPKCLZGCCZ-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001033670059 660647320 /nfs/dbraw/zinc/64/73/20/660647320.db2.gz UENYGPXJRBPOKY-INIZCTEOSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001033690665 660651523 /nfs/dbraw/zinc/65/15/23/660651523.db2.gz FNAYFKLXSXQQJL-INIZCTEOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cnc(CC(C)C)s2)C1 ZINC001033699383 660651892 /nfs/dbraw/zinc/65/18/92/660651892.db2.gz FGSGQLNLCIUIGR-CQSZACIVSA-N 0 3 321.490 3.064 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(Cl)c2C)C1 ZINC001033840905 660668267 /nfs/dbraw/zinc/66/82/67/660668267.db2.gz MDXVMEBCDYMVQK-HNNXBMFYSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033854733 660669400 /nfs/dbraw/zinc/66/94/00/660669400.db2.gz VBCLOLODADDVOC-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(C)c2F)CC1 ZINC001005422984 660672980 /nfs/dbraw/zinc/67/29/80/660672980.db2.gz ZHHDLSSELSOOKC-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033965637 660685872 /nfs/dbraw/zinc/68/58/72/660685872.db2.gz UUGVSWYMDGRVOH-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CCC)C1 ZINC001033939723 660684512 /nfs/dbraw/zinc/68/45/12/660684512.db2.gz HMPUNECHNFOUNC-OAHLLOKOSA-N 0 3 303.450 3.080 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033941698 660685139 /nfs/dbraw/zinc/68/51/39/660685139.db2.gz HEUSUDAWEOKIGM-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001033972827 660687441 /nfs/dbraw/zinc/68/74/41/660687441.db2.gz QGJLVTXCWAQAHF-RCCFBDPRSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnc3ccccc3c2)C1 ZINC001033975595 660687764 /nfs/dbraw/zinc/68/77/64/660687764.db2.gz NNMJAUVJTTZHCZ-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccccc2Cl)C1 ZINC001034020091 660694441 /nfs/dbraw/zinc/69/44/41/660694441.db2.gz FJJOAIPHAKFQJC-CQSZACIVSA-N 0 3 306.837 3.453 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2OC)C1 ZINC001034028254 660695786 /nfs/dbraw/zinc/69/57/86/660695786.db2.gz YLNWKEWUHPCRCN-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034033162 660697142 /nfs/dbraw/zinc/69/71/42/660697142.db2.gz CDVCYTQYJXFSNN-GOSISDBHSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001034217804 660724478 /nfs/dbraw/zinc/72/44/78/660724478.db2.gz TXUAGANLXIEVSX-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001034226900 660725130 /nfs/dbraw/zinc/72/51/30/660725130.db2.gz VKKUKHNJXNVGGQ-KRWDZBQOSA-N 0 3 316.445 3.082 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001034237145 660728247 /nfs/dbraw/zinc/72/82/47/660728247.db2.gz RFFHJPDLTYPWEW-KRWDZBQOSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001034238486 660728395 /nfs/dbraw/zinc/72/83/95/660728395.db2.gz IWGGLVYDEAKSLG-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001034270767 660730918 /nfs/dbraw/zinc/73/09/18/660730918.db2.gz GHGJKOLQFKLSNC-IXDOHACOSA-N 0 3 318.486 3.398 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034297261 660733761 /nfs/dbraw/zinc/73/37/61/660733761.db2.gz YJLXSBSGOKSAAW-INIZCTEOSA-N 0 3 304.434 3.365 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001034307531 660735233 /nfs/dbraw/zinc/73/52/33/660735233.db2.gz YCYFIPSESVYKLE-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034316341 660736560 /nfs/dbraw/zinc/73/65/60/660736560.db2.gz TUBDVNHHDSXQJK-OAHLLOKOSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001034327207 660737658 /nfs/dbraw/zinc/73/76/58/660737658.db2.gz XMAOSZIQBJAFKS-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001034338045 660738712 /nfs/dbraw/zinc/73/87/12/660738712.db2.gz KROKWKZSJGGABU-AWEZNQCLSA-N 0 3 317.458 3.390 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001034338295 660738856 /nfs/dbraw/zinc/73/88/56/660738856.db2.gz CCFSRDIVXHGEIG-INIZCTEOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001034323569 660739076 /nfs/dbraw/zinc/73/90/76/660739076.db2.gz JEEAGPOCXHPGQI-WSTZPKSXSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001034433706 660753470 /nfs/dbraw/zinc/75/34/70/660753470.db2.gz QEULLRJHXOZJJK-HYVNUMGLSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034465514 660755524 /nfs/dbraw/zinc/75/55/24/660755524.db2.gz QETVOFBBAKSUQW-OAHLLOKOSA-N 0 3 317.433 3.021 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001034452776 660755916 /nfs/dbraw/zinc/75/59/16/660755916.db2.gz HBHKXFFZCMKWDI-HNNXBMFYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001034471246 660758419 /nfs/dbraw/zinc/75/84/19/660758419.db2.gz BHUNNYMCSNORTM-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001034524707 660766649 /nfs/dbraw/zinc/76/66/49/660766649.db2.gz UHBYCCQBHCHOMQ-INIZCTEOSA-N 0 3 318.486 3.227 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001034523911 660766755 /nfs/dbraw/zinc/76/67/55/660766755.db2.gz QJKGFVAGUVXEIL-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001034532607 660767734 /nfs/dbraw/zinc/76/77/34/660767734.db2.gz OFRBESZDFGKHLG-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001034535141 660769422 /nfs/dbraw/zinc/76/94/22/660769422.db2.gz BWWXLVCABDIROU-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001034542187 660771005 /nfs/dbraw/zinc/77/10/05/660771005.db2.gz UYVNTNWRLGNCFT-KRWDZBQOSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001034544975 660771624 /nfs/dbraw/zinc/77/16/24/660771624.db2.gz MVKFOVMRYAVKOK-OKZBNKHCSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccsc2COC)CC1 ZINC001005582412 660781074 /nfs/dbraw/zinc/78/10/74/660781074.db2.gz CRIFKWYAPJJNSX-UHFFFAOYSA-N 0 3 322.474 3.007 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccnc3ccccc32)CC1 ZINC001005682535 660788275 /nfs/dbraw/zinc/78/82/75/660788275.db2.gz VRQQMHWJEDUCHF-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC000947963699 660788100 /nfs/dbraw/zinc/78/81/00/660788100.db2.gz XNJNOJDBSIUEOY-MAUKXSAKSA-N 0 3 312.457 3.200 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2c(F)cccc2F)CC1 ZINC001005712859 660792040 /nfs/dbraw/zinc/79/20/40/660792040.db2.gz IVAAWSPLDWJJBW-ZDUSSCGKSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001035036035 660811126 /nfs/dbraw/zinc/81/11/26/660811126.db2.gz URONHUWAAAMSHP-PBHICJAKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)sc1C)CC2 ZINC001035744368 660847366 /nfs/dbraw/zinc/84/73/66/660847366.db2.gz JBWILCFMOFYFJO-UHFFFAOYSA-N 0 3 318.486 3.479 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccoc1C1CC1)CC2 ZINC001035775519 660853017 /nfs/dbraw/zinc/85/30/17/660853017.db2.gz FCZJJEOSTVWFHA-UHFFFAOYSA-N 0 3 314.429 3.271 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(F)c(C)c1)CC2 ZINC001035782239 660851333 /nfs/dbraw/zinc/85/13/33/660851333.db2.gz ZMDWJVNWEUKWEP-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1oc(CC)cc1C)CC2 ZINC001035834733 660857062 /nfs/dbraw/zinc/85/70/62/660857062.db2.gz DWSLKACKCXLGMV-UHFFFAOYSA-N 0 3 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C#CCCN1CC([C@H](C)NC(=O)c2cccc3c2CCCCC3)C1 ZINC000969910226 655563106 /nfs/dbraw/zinc/56/31/06/655563106.db2.gz FEGGBZDFTGXIJY-INIZCTEOSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3sccc3s2)C1 ZINC000969971605 655565698 /nfs/dbraw/zinc/56/56/98/655565698.db2.gz XYXSKLXJBCXGQV-LLVKDONJSA-N 0 3 318.467 3.036 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000970157255 655582525 /nfs/dbraw/zinc/58/25/25/655582525.db2.gz KWGISAXDDWCYMJ-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001020992194 655585012 /nfs/dbraw/zinc/58/50/12/655585012.db2.gz ASICSINKXCCWSV-VNOJIWKOSA-N 0 3 320.811 3.047 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2sccc2CC)C1 ZINC000968683057 655585327 /nfs/dbraw/zinc/58/53/27/655585327.db2.gz XSXFPAORRIVMQV-UKRRQHHQSA-N 0 3 306.475 3.327 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC000970217056 655589112 /nfs/dbraw/zinc/58/91/12/655589112.db2.gz 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CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccsc2C)C1 ZINC001021579959 655636470 /nfs/dbraw/zinc/63/64/70/655636470.db2.gz YLMMHKQDYMGANR-WBVHZDCISA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000970913925 655636930 /nfs/dbraw/zinc/63/69/30/655636930.db2.gz UAFMOHBASJPPMX-ZDUSSCGKSA-N 0 3 318.486 3.119 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c(CC)oc3ccccc32)C1 ZINC000970931320 655638666 /nfs/dbraw/zinc/63/86/66/655638666.db2.gz MBNSLUYCERSIBJ-CQSZACIVSA-N 0 3 324.424 3.069 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCCCCC2)C1 ZINC001021631766 655646096 /nfs/dbraw/zinc/64/60/96/655646096.db2.gz ZXJDPRAHSGIOJO-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000175945456 655647200 /nfs/dbraw/zinc/64/72/00/655647200.db2.gz NZLLFDIAADHUNC-SUMWQHHRSA-N 0 3 308.381 3.177 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000175945485 655647307 /nfs/dbraw/zinc/64/73/07/655647307.db2.gz 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ZINC000971677316 655720892 /nfs/dbraw/zinc/72/08/92/655720892.db2.gz ILVRTEUGVICQLE-SECBINFHSA-N 0 3 319.257 3.387 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC000971784527 655726128 /nfs/dbraw/zinc/72/61/28/655726128.db2.gz KLVSBYPPAYJWTR-HNNXBMFYSA-N 0 3 313.445 3.102 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001022335418 655730571 /nfs/dbraw/zinc/73/05/71/655730571.db2.gz DPJBUWLWAZMVLI-BETUJISGSA-N 0 3 322.767 3.175 20 30 DGEDHN CN(Cc1cc(C#N)cs1)C[C@@H](O)CCc1ccccc1 ZINC000933773965 655733038 /nfs/dbraw/zinc/73/30/38/655733038.db2.gz UESPFQZVOCHKKP-INIZCTEOSA-N 0 3 300.427 3.045 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC000971871660 655740247 /nfs/dbraw/zinc/74/02/47/655740247.db2.gz INRPDWROXQJBCL-MRXNPFEDSA-N 0 3 316.445 3.151 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(CCCC)cc2)C1 ZINC000971877385 655741015 /nfs/dbraw/zinc/74/10/15/655741015.db2.gz AYGKMXKJHJMDGN-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001022489588 655744386 /nfs/dbraw/zinc/74/43/86/655744386.db2.gz MRMRQKRXRWFINE-GASCZTMLSA-N 0 3 318.848 3.475 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000971895674 655744552 /nfs/dbraw/zinc/74/45/52/655744552.db2.gz KESXJDSVCJXKFS-INIZCTEOSA-N 0 3 310.397 3.279 20 30 DGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(N2CCOCC2)cc1 ZINC000071831075 655753513 /nfs/dbraw/zinc/75/35/13/655753513.db2.gz HQGFXTJVDWZZLM-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC000972003333 655753903 /nfs/dbraw/zinc/75/39/03/655753903.db2.gz WFHFGMWIVPDWJB-LBPRGKRZSA-N 0 3 310.800 3.120 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cccc(F)c3F)C2)C1 ZINC001022675419 655761601 /nfs/dbraw/zinc/76/16/01/655761601.db2.gz WZNGBWSWALACLQ-OKILXGFUSA-N 0 3 320.383 3.058 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](N[C@H](C)c3ccccc3F)C2)C1 ZINC001022680768 655762800 /nfs/dbraw/zinc/76/28/00/655762800.db2.gz OPJSCDMQAVFEFS-KFWWJZLASA-N 0 3 316.420 3.480 20 30 DGEDHN CC(=O)[C@@](C#N)(CCN1CCCSC[C@H]1C)c1ccccc1 ZINC000934297047 655765132 /nfs/dbraw/zinc/76/51/32/655765132.db2.gz XXJZHQACZVVHHT-QAPCUYQASA-N 0 3 316.470 3.254 20 30 DGEDHN N#CC(C(=O)CCc1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000051653221 655775633 /nfs/dbraw/zinc/77/56/33/655775633.db2.gz KOYOPUHAUGWTEJ-HNNXBMFYSA-N 0 3 318.804 3.040 20 30 DGEDHN C=CC[C@H]1CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000934468199 655777641 /nfs/dbraw/zinc/77/76/41/655777641.db2.gz VSJDIONPLIOOKQ-STQMWFEESA-N 0 3 311.410 3.123 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001022808889 655791163 /nfs/dbraw/zinc/79/11/63/655791163.db2.gz DEFRKUGZBSIUJR-DPYKFYPSSA-N 0 3 312.885 3.438 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)C[C@H]1C ZINC000947519912 655798909 /nfs/dbraw/zinc/79/89/09/655798909.db2.gz JNJZIUZCVKJKCQ-YPMHNXCESA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001023005602 655807991 /nfs/dbraw/zinc/80/79/91/655807991.db2.gz ZMXVBUTWKMKSGH-BETUJISGSA-N 0 3 314.763 3.227 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2CCCCCCC2)C[C@@H]1C ZINC000947535879 655810262 /nfs/dbraw/zinc/81/02/62/655810262.db2.gz BOKIVTSXGKFVKQ-FUHWJXTLSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001023184367 655816375 /nfs/dbraw/zinc/81/63/75/655816375.db2.gz LLRHJCCWHOXKQM-CALCHBBNSA-N 0 3 320.864 3.414 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001023430704 655833407 /nfs/dbraw/zinc/83/34/07/655833407.db2.gz RVOJQUNUESJLNA-CYBMUJFWSA-N 0 3 321.490 3.068 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001023588311 655845563 /nfs/dbraw/zinc/84/55/63/655845563.db2.gz WASWCEUKZBLBIT-QGZVFWFLSA-N 0 3 324.468 3.203 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2sccc2C2CC2)C1 ZINC001023735537 655859908 /nfs/dbraw/zinc/85/99/08/655859908.db2.gz OZVAEWNUQQGCGP-AWEZNQCLSA-N 0 3 316.470 3.091 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001023738120 655860308 /nfs/dbraw/zinc/86/03/08/655860308.db2.gz YTPLFPZZBACGFK-OAHLLOKOSA-N 0 3 312.413 3.369 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC000972679133 655864836 /nfs/dbraw/zinc/86/48/36/655864836.db2.gz BFUMSNZDUGQRMA-ZDUSSCGKSA-N 0 3 321.490 3.064 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001024136046 655889174 /nfs/dbraw/zinc/88/91/74/655889174.db2.gz SLQNXQVODGVUMK-WMLDXEAASA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001024359128 655902607 /nfs/dbraw/zinc/90/26/07/655902607.db2.gz PMYSFWCZZCENKT-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001024490463 655910363 /nfs/dbraw/zinc/91/03/63/655910363.db2.gz NNQRLJWQYCDLQT-GOSISDBHSA-N 0 3 315.461 3.195 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024505401 655911536 /nfs/dbraw/zinc/91/15/36/655911536.db2.gz BVWKXTNCCRUPEP-ZWKOTPCHSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001024536085 655914187 /nfs/dbraw/zinc/91/41/87/655914187.db2.gz HHNOUMFYVDMUAB-HNNXBMFYSA-N 0 3 311.429 3.328 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1occc1C(C)C ZINC001024618428 655924811 /nfs/dbraw/zinc/92/48/11/655924811.db2.gz UMLYFSNKEAZYIU-HNNXBMFYSA-N 0 3 302.418 3.011 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001024626801 655925092 /nfs/dbraw/zinc/92/50/92/655925092.db2.gz GVAMWBOGJLQGNY-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001024624526 655925157 /nfs/dbraw/zinc/92/51/57/655925157.db2.gz UPFRWGFVZZEGIE-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001024630551 655926032 /nfs/dbraw/zinc/92/60/32/655926032.db2.gz RBPVCHALNRDCSQ-QGZVFWFLSA-N 0 3 311.429 3.328 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001024677369 655929295 /nfs/dbraw/zinc/92/92/95/655929295.db2.gz HUUHFVQPUUBGFE-ZDUSSCGKSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024697441 655931538 /nfs/dbraw/zinc/93/15/38/655931538.db2.gz ZFBMNRKBBCYJDY-OTWHNJEPSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001024709853 655932738 /nfs/dbraw/zinc/93/27/38/655932738.db2.gz MVKDECKTYCELFZ-INIZCTEOSA-N 0 3 320.383 3.232 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3scnc32)C[C@H]1C ZINC000947307144 655933754 /nfs/dbraw/zinc/93/37/54/655933754.db2.gz WGZYKOMXEXTKLE-OLZOCXBDSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024739275 655934235 /nfs/dbraw/zinc/93/42/35/655934235.db2.gz ZRIYBQBPKDWTNL-HNNXBMFYSA-N 0 3 301.434 3.053 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2ccncc21 ZINC001024737256 655934618 /nfs/dbraw/zinc/93/46/18/655934618.db2.gz HBIIQDKKLLONEV-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001024804097 655940446 /nfs/dbraw/zinc/94/04/46/655940446.db2.gz PJWWALRVTIYCMW-INIZCTEOSA-N 0 3 303.450 3.229 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001024805030 655940843 /nfs/dbraw/zinc/94/08/43/655940843.db2.gz MWGMVRINWCHWNG-KRWDZBQOSA-N 0 3 316.420 3.050 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947652323 655951489 /nfs/dbraw/zinc/95/14/89/655951489.db2.gz AOLWPGVQUDRUAM-LSDHHAIUSA-N 0 3 302.418 3.009 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C\Cl)C2)C1 ZINC001036815431 661207635 /nfs/dbraw/zinc/20/76/35/661207635.db2.gz FICLQVRFZNYFBE-CDNPWBLBSA-N 0 3 308.853 3.018 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1scnc1C ZINC001025198796 655975926 /nfs/dbraw/zinc/97/59/26/655975926.db2.gz RGJZXPFCDZOPIR-GJZGRUSLSA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001025204464 655977854 /nfs/dbraw/zinc/97/78/54/655977854.db2.gz OWETYYXNVFVEEZ-ROUUACIJSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201295 655977957 /nfs/dbraw/zinc/97/79/57/655977957.db2.gz LJCNKHIIVTYUFO-IAGOWNOFSA-N 0 3 314.429 3.037 20 30 DGEDHN C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201295 655977958 /nfs/dbraw/zinc/97/79/58/655977958.db2.gz LJCNKHIIVTYUFO-IAGOWNOFSA-N 0 3 314.429 3.037 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001007479846 655978054 /nfs/dbraw/zinc/97/80/54/655978054.db2.gz AREQOCSOJGFKGZ-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cnc(C)s1 ZINC001025209750 655978975 /nfs/dbraw/zinc/97/89/75/655978975.db2.gz NWYUNPNHAUSEIL-CABCVRRESA-N 0 3 319.474 3.097 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)sn1 ZINC001025224449 655981424 /nfs/dbraw/zinc/98/14/24/655981424.db2.gz QCPAPOPTCMHWCS-CVEARBPZSA-N 0 3 319.474 3.097 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001025243133 655984418 /nfs/dbraw/zinc/98/44/18/655984418.db2.gz ALPVSNHKUYJWKM-HZPDHXFCSA-N 0 3 308.441 3.300 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#CC ZINC001025257674 655984744 /nfs/dbraw/zinc/98/47/44/655984744.db2.gz GBLYRTDAPIPXMZ-QZTJIDSGSA-N 0 3 316.489 3.458 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cccc(C)c1 ZINC001025264113 655986074 /nfs/dbraw/zinc/98/60/74/655986074.db2.gz WCBRFUUKYDUDQB-WOJBJXKFSA-N 0 3 324.468 3.016 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260649 655986686 /nfs/dbraw/zinc/98/66/86/655986686.db2.gz YUDVEESUIURFEN-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025292897 655989236 /nfs/dbraw/zinc/98/92/36/655989236.db2.gz MTPIMEVJLPNXRV-WOJBJXKFSA-N 0 3 324.468 3.477 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025291471 655989349 /nfs/dbraw/zinc/98/93/49/655989349.db2.gz ABCJFWCOYNVSQU-OALUTQOASA-N 0 3 310.441 3.087 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)ccc1C ZINC001025294010 655989648 /nfs/dbraw/zinc/98/96/48/655989648.db2.gz VZUITZVLRRQQEX-PMACEKPBSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)c(C)c1 ZINC001025297439 655990035 /nfs/dbraw/zinc/99/00/35/655990035.db2.gz QCNZXFDFWFHBCW-PMACEKPBSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001025429278 656010665 /nfs/dbraw/zinc/01/06/65/656010665.db2.gz BBMGCGPZNBSWRZ-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC001025432215 656011198 /nfs/dbraw/zinc/01/11/98/656011198.db2.gz SHTJEZVNIKDYSD-HUUCEWRRSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC001025440922 656013858 /nfs/dbraw/zinc/01/38/58/656013858.db2.gz ZQZYVAIIPVMLQU-SJORKVTESA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC001025518734 656027545 /nfs/dbraw/zinc/02/75/45/656027545.db2.gz HNQSNRODDDDEFL-VQIMIIECSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC001025525287 656028719 /nfs/dbraw/zinc/02/87/19/656028719.db2.gz ZTECWXHHBGFPEM-HUUCEWRRSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001025541219 656033074 /nfs/dbraw/zinc/03/30/74/656033074.db2.gz AKDXZRVBBOZLTO-QAPCUYQASA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001025581490 656039601 /nfs/dbraw/zinc/03/96/01/656039601.db2.gz DEGUYZRNXGZTCB-HOCLYGCPSA-N 0 3 316.445 3.175 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC001025614566 656048131 /nfs/dbraw/zinc/04/81/31/656048131.db2.gz LWDLKHPVOOSAER-GOEBONIOSA-N 0 3 318.486 3.219 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC001025614227 656048531 /nfs/dbraw/zinc/04/85/31/656048531.db2.gz IMYMIDBCWDNDHX-VQIMIIECSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001025628705 656051484 /nfs/dbraw/zinc/05/14/84/656051484.db2.gz UHRKIKITNRNKKM-HNAYVOBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001025630030 656051831 /nfs/dbraw/zinc/05/18/31/656051831.db2.gz OELNWMFHYDXRAS-JKSUJKDBSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2CC)C1 ZINC001025630560 656051877 /nfs/dbraw/zinc/05/18/77/656051877.db2.gz UKOSPKYLHDFQQR-GDBMZVCRSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc3ccccc23)C1 ZINC001025636645 656054093 /nfs/dbraw/zinc/05/40/93/656054093.db2.gz BFAWSZGWQGUJSS-CVEARBPZSA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C[C@H]1C ZINC000947670164 656080545 /nfs/dbraw/zinc/08/05/45/656080545.db2.gz BURBINKEESCBAT-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(C(C)(C)C)CC1 ZINC001026144238 656084252 /nfs/dbraw/zinc/08/42/52/656084252.db2.gz GSBDOXWOQRREMF-NDQLQDMOSA-N 0 3 304.478 3.071 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001008384997 656151737 /nfs/dbraw/zinc/15/17/37/656151737.db2.gz NBYQINKYJORZEH-LBPRGKRZSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(OC)c2)C(C)(C)C1 ZINC000974803833 656230768 /nfs/dbraw/zinc/23/07/68/656230768.db2.gz BLALOZAYECCYQT-KRWDZBQOSA-N 0 3 316.445 3.020 20 30 DGEDHN COc1cccc(/C=N/C[C@H](C)N2CCc3ccccc3C2)c1O ZINC000026432373 656250191 /nfs/dbraw/zinc/25/01/91/656250191.db2.gz RLESPWUNPNCXSQ-PCXKXAPESA-N 0 3 324.424 3.267 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)c2ccsc2)C(C)(C)C1 ZINC000975033148 656252143 /nfs/dbraw/zinc/25/21/43/656252143.db2.gz XXELIBYZTZKOGH-HIFRSBDPSA-N 0 3 306.475 3.254 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)C(C)(C)C1 ZINC000975076917 656256156 /nfs/dbraw/zinc/25/61/56/656256156.db2.gz QNFCTLTUZWZGMM-HNNXBMFYSA-N 0 3 324.827 3.034 20 30 DGEDHN CC[C@@H](C)C(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027305794 656284684 /nfs/dbraw/zinc/28/46/84/656284684.db2.gz SYOGCLREAOCJRJ-QAPCUYQASA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2C2CCC2)C(C)(C)C1 ZINC000977539451 656340342 /nfs/dbraw/zinc/34/03/42/656340342.db2.gz PSOQNIBSRTWEBF-IBGZPJMESA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)C(C)(C)C1 ZINC000977604623 656347261 /nfs/dbraw/zinc/34/72/61/656347261.db2.gz POEOZSLCOPEESS-GOSISDBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977637135 656349613 /nfs/dbraw/zinc/34/96/13/656349613.db2.gz CDSOQSSJKPMTDX-CYBMUJFWSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977623844 656349891 /nfs/dbraw/zinc/34/98/91/656349891.db2.gz XNXKXSZBPFRITM-GQGLESIBSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2CCC(C)(C)CC2)C(C)(C)C1 ZINC000977648465 656352500 /nfs/dbraw/zinc/35/25/00/656352500.db2.gz ITQUPXIDORPIAT-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977659569 656353778 /nfs/dbraw/zinc/35/37/78/656353778.db2.gz 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C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2cnccc2c1 ZINC001049825248 656693305 /nfs/dbraw/zinc/69/33/05/656693305.db2.gz MQSBUZBUPWSPLJ-RTBURBONSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2sccc2[nH]1 ZINC001049826773 656693399 /nfs/dbraw/zinc/69/33/99/656693399.db2.gz STTMYVCYAWIDQG-GJZGRUSLSA-N 0 3 315.442 3.094 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2ccncc2c1 ZINC001049827511 656693489 /nfs/dbraw/zinc/69/34/89/656693489.db2.gz VTJQJDZAHKXNEY-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c(C)cccn2c1 ZINC001049841377 656696123 /nfs/dbraw/zinc/69/61/23/656696123.db2.gz RXBPTHLORIRZNX-MSOLQXFVSA-N 0 3 323.440 3.113 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001028093948 656697100 /nfs/dbraw/zinc/69/71/00/656697100.db2.gz SBWIXZNWCLKMPM-YNEHKIRRSA-N 0 3 324.877 3.272 20 30 DGEDHN C=CCCN1CCCN(C(=O)C2(C)CCC(F)(F)CC2)CC1 ZINC000981473696 656703581 /nfs/dbraw/zinc/70/35/81/656703581.db2.gz 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656715978 /nfs/dbraw/zinc/71/59/78/656715978.db2.gz KRKRKPREZTVFRO-HZPDHXFCSA-N 0 3 302.418 3.009 20 30 DGEDHN C=C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2CC#CC)c1ccccc1 ZINC001049907944 656718498 /nfs/dbraw/zinc/71/84/98/656718498.db2.gz FQHGJYJUDZJNHQ-SLFFLAALSA-N 0 3 322.452 3.045 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1ccccc1 ZINC001049910907 656720076 /nfs/dbraw/zinc/72/00/76/656720076.db2.gz WOLNQPQWGLDVTP-BHIYHBOVSA-N 0 3 312.457 3.117 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3oc(C(F)F)cc3C)C[C@@H]21 ZINC001042100366 656722231 /nfs/dbraw/zinc/72/22/31/656722231.db2.gz MTRZODFTMIOQSX-OLZOCXBDSA-N 0 3 324.371 3.248 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049917605 656722322 /nfs/dbraw/zinc/72/23/22/656722322.db2.gz NDGHTSKRLXUWQX-LSDHHAIUSA-N 0 3 319.474 3.015 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(Cc4ccccc4)CC3)C[C@@H]21 ZINC001042101117 656722679 /nfs/dbraw/zinc/72/26/79/656722679.db2.gz SKJLBGUIOSIAHJ-MOPGFXCFSA-N 0 3 324.468 3.118 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)sc3C)C[C@@H]21 ZINC001042139806 656725098 /nfs/dbraw/zinc/72/50/98/656725098.db2.gz ZNEXAUAXIRQYOJ-HOCLYGCPSA-N 0 3 304.459 3.087 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccc(CC)s3)C[C@@H]21 ZINC001042137503 656725467 /nfs/dbraw/zinc/72/54/67/656725467.db2.gz HDCBKRMPFIOJMJ-ZBFHGGJFSA-N 0 3 318.486 3.423 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(c2ccccc2)C1 ZINC001049926898 656725595 /nfs/dbraw/zinc/72/55/95/656725595.db2.gz SNLDOMPEWHRTMD-GHBBCFCZSA-N 0 3 324.468 3.432 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@@H]21 ZINC001042156473 656728423 /nfs/dbraw/zinc/72/84/23/656728423.db2.gz JHRNSXFMJMTFSM-PBHICJAKSA-N 0 3 318.848 3.371 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC000981589396 656729666 /nfs/dbraw/zinc/72/96/66/656729666.db2.gz QPMMTYKUESLSEG-UHFFFAOYSA-N 0 3 300.446 3.038 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4ccc(C)cc4[nH]3)C[C@@H]21 ZINC001042166968 656729745 /nfs/dbraw/zinc/72/97/45/656729745.db2.gz 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ZINC001042213429 656738250 /nfs/dbraw/zinc/73/82/50/656738250.db2.gz KDZIIFYDDRMFNY-YOEHRIQHSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@@H]21 ZINC001042216529 656738306 /nfs/dbraw/zinc/73/83/06/656738306.db2.gz PRKPKDBJSRIQEZ-YOEHRIQHSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@@H]21 ZINC001042218964 656739215 /nfs/dbraw/zinc/73/92/15/656739215.db2.gz NEDQWXWRDTYWGV-ZBFHGGJFSA-N 0 3 318.848 3.371 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(C[C@@H](F)CC)CC2)CC1 ZINC001052682705 656748167 /nfs/dbraw/zinc/74/81/67/656748167.db2.gz XXTXRRMMBWVSJC-DLBZAZTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(C)c(C)o3)C2)C1 ZINC000981715513 656751766 /nfs/dbraw/zinc/75/17/66/656751766.db2.gz RTECCUCSDDNXBV-UHFFFAOYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@H]21 ZINC001042317861 656751826 /nfs/dbraw/zinc/75/18/26/656751826.db2.gz COERHPOGWAHAKI-BRSBDYLESA-N 0 3 304.478 3.312 20 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/nfs/dbraw/zinc/77/74/88/656777488.db2.gz ZCCUJDJAXNUFMV-NVXWUHKLSA-N 0 3 324.424 3.140 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001052889999 656784527 /nfs/dbraw/zinc/78/45/27/656784527.db2.gz WGRLTRVDYJCYHP-SFHVURJKSA-N 0 3 312.457 3.202 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]3CCC)C2)C1 ZINC000981861083 656789121 /nfs/dbraw/zinc/78/91/21/656789121.db2.gz AJEQWNMTWBEWPD-IRXDYDNUSA-N 0 3 304.478 3.313 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(F)ccc3CC)C2)C1 ZINC000981871033 656791400 /nfs/dbraw/zinc/79/14/00/656791400.db2.gz NGKYDSZQLCPIEM-UHFFFAOYSA-N 0 3 316.420 3.112 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC001052949890 656795529 /nfs/dbraw/zinc/79/55/29/656795529.db2.gz RZXYUMIWXZXLFR-AWEZNQCLSA-N 0 3 318.486 3.263 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCN(CCc3ccccc3)CC2)C1 ZINC000981909052 656801775 /nfs/dbraw/zinc/80/17/75/656801775.db2.gz CTGSHACKCZWKNE-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001052968667 656801940 /nfs/dbraw/zinc/80/19/40/656801940.db2.gz AGBAXBRRROLJAT-JCYILVPMSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC001052981662 656805826 /nfs/dbraw/zinc/80/58/26/656805826.db2.gz PFWXUNKGLFYMMC-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001028162426 656822799 /nfs/dbraw/zinc/82/27/99/656822799.db2.gz HVNSXEXSLYRRLI-BRWVUGGUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cccc(F)c3F)C2)C1 ZINC000981967006 656835124 /nfs/dbraw/zinc/83/51/24/656835124.db2.gz KDQGHURKFZITFD-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccsc2)C1 ZINC001053064176 656839549 /nfs/dbraw/zinc/83/95/49/656839549.db2.gz VDLPFMOCXYSRPX-DOTOQJQBSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CCCC2)C1 ZINC001053065342 656841653 /nfs/dbraw/zinc/84/16/53/656841653.db2.gz GBEATGYKDXUBDU-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001053067452 656841785 /nfs/dbraw/zinc/84/17/85/656841785.db2.gz GZBZXWXWEXSPJL-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC(C)(C)C2)C1 ZINC001053087624 656851324 /nfs/dbraw/zinc/85/13/24/656851324.db2.gz VEUKDZLEIPEJTO-WMZOPIPTSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001028190991 656851705 /nfs/dbraw/zinc/85/17/05/656851705.db2.gz HUIOXQZZLFDCHQ-BHYGNILZSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001028207176 656867101 /nfs/dbraw/zinc/86/71/01/656867101.db2.gz AOOZRRZOIPIXOC-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001028213783 656873473 /nfs/dbraw/zinc/87/34/73/656873473.db2.gz LNOCJXJUIVEFOV-GOSISDBHSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1CCCC1 ZINC001054029350 656883210 /nfs/dbraw/zinc/88/32/10/656883210.db2.gz LGTVCZWGDYDUAV-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1sccc1C)C2 ZINC001054075193 656903851 /nfs/dbraw/zinc/90/38/51/656903851.db2.gz YJZLYNXGKCNLAC-GOSISDBHSA-N 0 3 316.470 3.008 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3c(C)cc(C)cc3C)C2)C1 ZINC000982141377 656904906 /nfs/dbraw/zinc/90/49/06/656904906.db2.gz BEHHQRHVMYKCSU-UHFFFAOYSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3c[nH]c4ccc(C)cc34)C2)C1 ZINC000982164457 656906639 /nfs/dbraw/zinc/90/66/39/656906639.db2.gz NOPLRBHPQOFPLH-UHFFFAOYSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3C[C@H](C)C[C@@H](C)C3)C2)C1 ZINC000982166625 656909435 /nfs/dbraw/zinc/90/94/35/656909435.db2.gz IEPHPZVPSBKJAL-HZPDHXFCSA-N 0 3 304.478 3.169 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C34CC(C(C)(C)C)(C3)C4)C2)C1 ZINC000982169199 656909909 /nfs/dbraw/zinc/90/99/09/656909909.db2.gz TWBXWSKKDQTFKO-UHFFFAOYSA-N 0 3 316.489 3.313 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cscc1C)C2 ZINC001054112695 656913661 /nfs/dbraw/zinc/91/36/61/656913661.db2.gz RPENSWBVMABIDY-SFHVURJKSA-N 0 3 316.470 3.008 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CCC3CCCC3)C[C@]2(C)C1 ZINC000982195359 656913931 /nfs/dbraw/zinc/91/39/31/656913931.db2.gz VXLIDJDHHJODAB-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(C)CC=CCC1)C2 ZINC001054138340 656918787 /nfs/dbraw/zinc/91/87/87/656918787.db2.gz OSMDVLNPUBECSL-VQTJNVASSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C2 ZINC001054163310 656922821 /nfs/dbraw/zinc/92/28/21/656922821.db2.gz FSYBYTHTQANFES-MBOZVWFJSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C1CCC1)C2 ZINC001054169869 656924102 /nfs/dbraw/zinc/92/41/02/656924102.db2.gz ISEZCTVGUWTXQJ-HXUWFJFHSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C(C)(C)C)C2 ZINC001054175080 656924788 /nfs/dbraw/zinc/92/47/88/656924788.db2.gz GZUNRQKDFJZPAN-IBGZPJMESA-N 0 3 304.478 3.006 20 30 DGEDHN C=C1CCC(C(=O)N2CCC[C@]3(CCN(CC#CC)C3)C2)CC1 ZINC001054189961 656930788 /nfs/dbraw/zinc/93/07/88/656930788.db2.gz XVOMLLCIDNESPF-HXUWFJFHSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001054192788 656933414 /nfs/dbraw/zinc/93/34/14/656933414.db2.gz JJPWVUYCYGHZEN-YLJYHZDGSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)c1ccc(C)cc1)C2 ZINC001054227467 656942296 /nfs/dbraw/zinc/94/22/96/656942296.db2.gz HWNJFVXVHQBVQH-NQIIRXRSSA-N 0 3 324.468 3.046 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccoc2)c1 ZINC001028248732 656942466 /nfs/dbraw/zinc/94/24/66/656942466.db2.gz CEQXKMXNLSRPRO-SFHVURJKSA-N 0 3 310.397 3.327 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@H]3CCC)C[C@]2(C)C1 ZINC000982309643 656946561 /nfs/dbraw/zinc/94/65/61/656946561.db2.gz CJGIMDLEULKVSQ-LFGUQSLTSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC(C)(C)C1)C2 ZINC001054246774 656948583 /nfs/dbraw/zinc/94/85/83/656948583.db2.gz IVQOOWVQADOZDB-YLJYHZDGSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3cccc(C)n3)cc2C1 ZINC001054256279 656953369 /nfs/dbraw/zinc/95/33/69/656953369.db2.gz SYOREJLNSSTLSY-UHFFFAOYSA-N 0 3 321.424 3.212 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccc(CC)s3)C[C@]2(C)C1 ZINC000982345579 656954145 /nfs/dbraw/zinc/95/41/45/656954145.db2.gz WBXSDDMCLFIVSI-HDICACEKSA-N 0 3 318.486 3.281 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H]3CC[C@H](F)C3)cc2C1 ZINC001054279173 656959494 /nfs/dbraw/zinc/95/94/94/656959494.db2.gz WSVAWQCPRUMHAF-YJBOKZPZSA-N 0 3 316.420 3.333 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028278945 656966312 /nfs/dbraw/zinc/96/63/12/656966312.db2.gz GTPASDHKYSEBDL-GFCCVEGCSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)c1C ZINC001039001442 656971899 /nfs/dbraw/zinc/97/18/99/656971899.db2.gz SJBQTNPYIXFPJW-MRXNPFEDSA-N 0 3 303.450 3.066 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C[C@@H]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC000982461955 656977495 /nfs/dbraw/zinc/97/74/95/656977495.db2.gz PYZPILYXNFODNN-LFGUQSLTSA-N 0 3 316.489 3.006 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178653644 656984327 /nfs/dbraw/zinc/98/43/27/656984327.db2.gz TZIYQSQZFCTEMQ-CYBMUJFWSA-N 0 3 311.341 3.348 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(CCC)c(C)s1 ZINC001028304316 656988173 /nfs/dbraw/zinc/98/81/73/656988173.db2.gz RPWPRGIXPBCICB-INIZCTEOSA-N 0 3 318.486 3.227 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001028332561 656994043 /nfs/dbraw/zinc/99/40/43/656994043.db2.gz XIWKTGMPTXANTN-CYBMUJFWSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1CC(C)C ZINC001028336878 656996714 /nfs/dbraw/zinc/99/67/14/656996714.db2.gz DZKYKMQBCYGWEL-KRWDZBQOSA-N 0 3 300.446 3.265 20 30 DGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1cnc(CC(C)C)s1 ZINC001028344782 657001024 /nfs/dbraw/zinc/00/10/24/657001024.db2.gz ODJZLAVAWDZCAD-AWEZNQCLSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC001045436880 657023298 /nfs/dbraw/zinc/02/32/98/657023298.db2.gz WYOCHCXMAPHGPW-UONOGXRCSA-N 0 3 302.418 3.173 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc3cccnc3c2)CC1 ZINC001045590549 657040776 /nfs/dbraw/zinc/04/07/76/657040776.db2.gz JDOHRYHRXRWGAK-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC001045589453 657041235 /nfs/dbraw/zinc/04/12/35/657041235.db2.gz YIMAOVXNZJSTGF-UHFFFAOYSA-N 0 3 320.383 3.232 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(CC)c(CC)o2)CC1 ZINC001045621187 657044413 /nfs/dbraw/zinc/04/44/13/657044413.db2.gz FEQIWZBBQQXXKH-UHFFFAOYSA-N 0 3 304.434 3.175 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC001045650827 657049459 /nfs/dbraw/zinc/04/94/59/657049459.db2.gz PFYMTZSIHSBKMA-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(C)c(CC)o3)C[C@]2(C)C1 ZINC000982727692 657084603 /nfs/dbraw/zinc/08/46/03/657084603.db2.gz GJNVWMMURQSGKW-KDURUIRLSA-N 0 3 316.445 3.120 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1CCCCC1)C2 ZINC001045908602 657085443 /nfs/dbraw/zinc/08/54/43/657085443.db2.gz FSRFYIWNMJGVCX-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@]2(C)C1 ZINC000982741801 657085636 /nfs/dbraw/zinc/08/56/36/657085636.db2.gz WACGTTREXRFYMI-FNVQZUBTSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ccc(C)c(C)c3)C[C@]2(C)C1 ZINC000982783917 657087875 /nfs/dbraw/zinc/08/78/75/657087875.db2.gz YXQWOVPRLTUXRX-OYRHEFFESA-N 0 3 324.468 3.111 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C3CCC(C)(C)CC3)C[C@]2(C)C1 ZINC000982841493 657103167 /nfs/dbraw/zinc/10/31/67/657103167.db2.gz DWCFULKNYQMOMR-BGYRXZFFSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001045964451 657107958 /nfs/dbraw/zinc/10/79/58/657107958.db2.gz IHWJNYCBLNMZQZ-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCCC[C@@H]3CC)CC2)CC1 ZINC001000301669 657110027 /nfs/dbraw/zinc/11/00/27/657110027.db2.gz QVEAWRRDUUETBE-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1csc(C)c1)C2 ZINC001045972819 657110096 /nfs/dbraw/zinc/11/00/96/657110096.db2.gz CQYDSMGGPFBFDI-GOSISDBHSA-N 0 3 316.470 3.008 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)c3ccc(C)cc3C)CC2)CC1 ZINC001000320424 657112815 /nfs/dbraw/zinc/11/28/15/657112815.db2.gz IEXBRMTYNDVPOF-UHFFFAOYSA-N 0 3 324.468 3.301 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)c3cccc(C)c3C)CC2)CC1 ZINC001000326227 657113302 /nfs/dbraw/zinc/11/33/02/657113302.db2.gz LTHIUSZHYQZYFM-UHFFFAOYSA-N 0 3 324.468 3.301 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1CCC=CCC1)C2 ZINC001045985370 657113376 /nfs/dbraw/zinc/11/33/76/657113376.db2.gz SMDFCKDCZIHNNB-FQEVSTJZSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)c3ccc(Cl)s3)CC2)CC1 ZINC001000326422 657113602 /nfs/dbraw/zinc/11/36/02/657113602.db2.gz MOZJGLDKTVJIOF-UHFFFAOYSA-N 0 3 322.861 3.009 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cc(C(F)F)ccc2F)CC1 ZINC001000707649 657143935 /nfs/dbraw/zinc/14/39/35/657143935.db2.gz IOIFDQOVDTVTSN-UHFFFAOYSA-N 0 3 324.346 3.311 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001046374319 657155634 /nfs/dbraw/zinc/15/56/34/657155634.db2.gz MLBOAQCFXBLONP-FQEVSTJZSA-N 0 3 323.440 3.069 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC001000928806 657164940 /nfs/dbraw/zinc/16/49/40/657164940.db2.gz YTNFFHQSIGKOGW-DLBZAZTESA-N 0 3 302.462 3.159 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(Cl)ccc2F)C1 ZINC001046462814 657165684 /nfs/dbraw/zinc/16/56/84/657165684.db2.gz AMZQUGZNFABSKZ-INIZCTEOSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001046499518 657169403 /nfs/dbraw/zinc/16/94/03/657169403.db2.gz SVUDYKSUQKENLE-HXUWFJFHSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3ncccc32)C1 ZINC001046520791 657172588 /nfs/dbraw/zinc/17/25/88/657172588.db2.gz GLQBNSYHBRMSQB-LJQANCHMSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046588511 657184610 /nfs/dbraw/zinc/18/46/10/657184610.db2.gz QAYTVXOMUURIGO-QGZVFWFLSA-N 0 3 306.837 3.419 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001028815701 657190021 /nfs/dbraw/zinc/19/00/21/657190021.db2.gz QJACXINJXDNRMA-MISYRCLQSA-N 0 3 324.468 3.032 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001046653768 657195784 /nfs/dbraw/zinc/19/57/84/657195784.db2.gz YSNHUKJZYPMIJV-BXWFABGCSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001046674120 657201105 /nfs/dbraw/zinc/20/11/05/657201105.db2.gz URRLDCLLPJHKGH-QGZVFWFLSA-N 0 3 322.836 3.119 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001046688191 657204072 /nfs/dbraw/zinc/20/40/72/657204072.db2.gz NWWDOOWFMVEDRT-ZVDOUQERSA-N 0 3 324.468 3.011 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)c2cccc3ccsc32)C1 ZINC001046755071 657213537 /nfs/dbraw/zinc/21/35/37/657213537.db2.gz VUWHTOBVILSGGT-KRWDZBQOSA-N 0 3 300.427 3.282 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc(F)c3occc32)CC1 ZINC001001468244 657224623 /nfs/dbraw/zinc/22/46/23/657224623.db2.gz YFIWHBBCYCHPCN-UHFFFAOYSA-N 0 3 314.360 3.120 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(CCC)c(C)s2)C1 ZINC001046825712 657230976 /nfs/dbraw/zinc/23/09/76/657230976.db2.gz MRDONIXAQOMDQZ-SFHVURJKSA-N 0 3 318.486 3.227 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC001028963828 657238961 /nfs/dbraw/zinc/23/89/61/657238961.db2.gz VLHMAZZADYBUEJ-QGZVFWFLSA-N 0 3 318.420 3.039 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001028971823 657244205 /nfs/dbraw/zinc/24/42/05/657244205.db2.gz XOWCHIKGBYGDIJ-HNNXBMFYSA-N 0 3 318.486 3.084 20 30 DGEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2cccs2)C1 ZINC001046911167 657245226 /nfs/dbraw/zinc/24/52/26/657245226.db2.gz XYOUXNHDNDQRRQ-LBPRGKRZSA-N 0 3 314.401 3.011 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001028974359 657247047 /nfs/dbraw/zinc/24/70/47/657247047.db2.gz HMPALPZRERUJNJ-LXPRWKDFSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3c(C)oc(C)c3C)[C@@H]2C1 ZINC001050089160 657247869 /nfs/dbraw/zinc/24/78/69/657247869.db2.gz XUFGILCSZDRLPC-DLBZAZTESA-N 0 3 316.445 3.317 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C3CCC4(CC4)CC3)[C@@H]2C1 ZINC001050098396 657249477 /nfs/dbraw/zinc/24/94/77/657249477.db2.gz ODSFEEJWJORVLX-DLBZAZTESA-N 0 3 302.462 3.066 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(CCC)cc3)[C@@H]2C1 ZINC001050129040 657256231 /nfs/dbraw/zinc/25/62/31/657256231.db2.gz XIDBRPHVXLTNPU-RBUKOAKNSA-N 0 3 312.457 3.362 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)Cc3ccc(Cl)s3)[C@@H]2C1 ZINC001050159105 657261818 /nfs/dbraw/zinc/26/18/18/657261818.db2.gz XDYMMFDAKFPXRV-GXTWGEPZSA-N 0 3 324.877 3.053 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)[C@@H]2C1 ZINC001050163503 657263572 /nfs/dbraw/zinc/26/35/72/657263572.db2.gz MLZSKGQLAAUVSD-IJXRJRJASA-N 0 3 324.468 3.207 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001050188319 657266864 /nfs/dbraw/zinc/26/68/64/657266864.db2.gz ATAFGUJBIROZSI-CADBVGFASA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001050210844 657271429 /nfs/dbraw/zinc/27/14/29/657271429.db2.gz CONQCZMKSBHXPT-FGTMMUONSA-N 0 3 316.489 3.149 20 30 DGEDHN CC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1)C2 ZINC001047189183 657275145 /nfs/dbraw/zinc/27/51/45/657275145.db2.gz QQGIGSNMHKBYLY-FHWLQOOXSA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001047220470 657280882 /nfs/dbraw/zinc/28/08/82/657280882.db2.gz YPRKTHDGNYJEQU-FQEVSTJZSA-N 0 3 324.468 3.274 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)c3cccc(C)c3)C2)CC1 ZINC001047220958 657281013 /nfs/dbraw/zinc/28/10/13/657281013.db2.gz LKUVXXAKLNYSGV-FQEVSTJZSA-N 0 3 324.468 3.192 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C3CC(C)C3)C2)CC1 ZINC001047233290 657283907 /nfs/dbraw/zinc/28/39/07/657283907.db2.gz WFCUIFBHNWKELC-CUYAVPTFSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C3CC(C)(C)C3)C2)CC1 ZINC001047238477 657284752 /nfs/dbraw/zinc/28/47/52/657284752.db2.gz APNXPNQMLLJKOZ-QGZVFWFLSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)CC3(C)CC3)C2)CC1 ZINC001047251690 657286525 /nfs/dbraw/zinc/28/65/25/657286525.db2.gz VBAQLIJSATZXFX-SFHVURJKSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1 ZINC001047259034 657288967 /nfs/dbraw/zinc/28/89/67/657288967.db2.gz JNSCVGVXRPRESQ-NZSAHSFTSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)C[C@H]1C ZINC000947791568 657302537 /nfs/dbraw/zinc/30/25/37/657302537.db2.gz DPSFOOARJFXXOL-YJBCQJRQSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)c3ccc(CC(C)C)cc3)C2)CC1 ZINC001050752432 657355837 /nfs/dbraw/zinc/35/58/37/657355837.db2.gz LBLCRNLTFQABSU-UHFFFAOYSA-N 0 3 324.468 3.056 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)CC1 ZINC001050768912 657359321 /nfs/dbraw/zinc/35/93/21/657359321.db2.gz FEYZBAQJQPAEDM-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)c3ccoc3C)cccc2C1 ZINC001051278030 657378891 /nfs/dbraw/zinc/37/88/91/657378891.db2.gz DVKBNXPMEMZLJM-UHFFFAOYSA-N 0 3 324.424 3.452 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)[C@H]3CC34CCC4)cccc2C1 ZINC001051302728 657384777 /nfs/dbraw/zinc/38/47/77/657384777.db2.gz ORXMOBVNOVTMAQ-LJQANCHMSA-N 0 3 324.468 3.427 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968366423 657396453 /nfs/dbraw/zinc/39/64/53/657396453.db2.gz XIVPZHSQVYJEBG-YJBOKZPZSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968369876 657397535 /nfs/dbraw/zinc/39/75/35/657397535.db2.gz RRCCNGNPRYZRCW-LPHOPBHVSA-N 0 3 314.473 3.194 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000968405314 657407730 /nfs/dbraw/zinc/40/77/30/657407730.db2.gz KDCVIMJVEOBFRL-HMFCVHIJSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC000968440334 657412731 /nfs/dbraw/zinc/41/27/31/657412731.db2.gz VJZLIBPJERNFCJ-PBHICJAKSA-N 0 3 318.848 3.112 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554106 657425521 /nfs/dbraw/zinc/42/55/21/657425521.db2.gz SNIWWBREEQEECW-QAPCUYQASA-N 0 3 317.477 3.230 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968602941 657438717 /nfs/dbraw/zinc/43/87/17/657438717.db2.gz TXNGVQFUAJNBGI-YJBOKZPZSA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607147 657441060 /nfs/dbraw/zinc/44/10/60/657441060.db2.gz OZUBZZVRKUFBAR-YJBOKZPZSA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968614483 657442731 /nfs/dbraw/zinc/44/27/31/657442731.db2.gz KSENYWZSAGLEJU-SJLPKXTDSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968677720 657455423 /nfs/dbraw/zinc/45/54/23/657455423.db2.gz HVIZRLUSLBMUHO-DNVCBOLYSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000968758068 657483017 /nfs/dbraw/zinc/48/30/17/657483017.db2.gz HWNKVALRNBLBLV-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000968758068 657483018 /nfs/dbraw/zinc/48/30/18/657483018.db2.gz HWNKVALRNBLBLV-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC000968853161 657502913 /nfs/dbraw/zinc/50/29/13/657502913.db2.gz AGECFIIYMNQCDQ-OAHLLOKOSA-N 0 3 304.459 3.054 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC000968863744 657504689 /nfs/dbraw/zinc/50/46/89/657504689.db2.gz KFDXFIZVCBWKEA-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc(F)c1C ZINC000968867461 657504958 /nfs/dbraw/zinc/50/49/58/657504958.db2.gz WOZZWLZXLMBJFN-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC000968904675 657512797 /nfs/dbraw/zinc/51/27/97/657512797.db2.gz JFQAAMFFSLVJFI-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC000968943850 657520285 /nfs/dbraw/zinc/52/02/85/657520285.db2.gz AFFCQUMQXXSERY-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC000968998533 657530802 /nfs/dbraw/zinc/53/08/02/657530802.db2.gz YUCYFUWIRFBLSM-OAHLLOKOSA-N 0 3 303.450 3.299 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC000969011450 657533577 /nfs/dbraw/zinc/53/35/77/657533577.db2.gz RCTYDOCLHQGELR-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC000969025285 657538312 /nfs/dbraw/zinc/53/83/12/657538312.db2.gz MKTBVHLPFIVDCZ-MRXNPFEDSA-N 0 3 315.461 3.443 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC000969103381 657556405 /nfs/dbraw/zinc/55/64/05/657556405.db2.gz QMXOJLCRSDGWLO-CYBMUJFWSA-N 0 3 317.458 3.390 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001007358783 657599058 /nfs/dbraw/zinc/59/90/58/657599058.db2.gz WLPAUEQLXRXNPJ-MRXNPFEDSA-N 0 3 315.461 3.149 20 30 DGEDHN C/C=C(\C)C(=O)N1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000985367491 657612421 /nfs/dbraw/zinc/61/24/21/657612421.db2.gz HRCBOMREAOADKN-YIXHJXPBSA-N 0 3 317.458 3.009 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001007923285 657646499 /nfs/dbraw/zinc/64/64/99/657646499.db2.gz WTTIYYFXIVEYFC-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001008135944 657664165 /nfs/dbraw/zinc/66/41/65/657664165.db2.gz LLUSCXWXABPHJZ-LJQANCHMSA-N 0 3 324.468 3.021 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCc3cccs3)C2)C1 ZINC001008466547 657697953 /nfs/dbraw/zinc/69/79/53/657697953.db2.gz XKTCOPXMMCMTTR-HNNXBMFYSA-N 0 3 318.486 3.228 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001008646227 657712809 /nfs/dbraw/zinc/71/28/09/657712809.db2.gz OXKRFMOQEVHYTP-HNNXBMFYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(CC)CC)no2)C1 ZINC001008801506 657731397 /nfs/dbraw/zinc/73/13/97/657731397.db2.gz QLZSSEJRIOJTND-HNNXBMFYSA-N 0 3 319.449 3.349 20 30 DGEDHN C/C=C(\C)C(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000959952190 657731686 /nfs/dbraw/zinc/73/16/86/657731686.db2.gz BYNXJSHVMYVZRB-MIJQFGFMSA-N 0 3 317.458 3.057 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001008803678 657731896 /nfs/dbraw/zinc/73/18/96/657731896.db2.gz GUOBNWPPURDFNO-SLFFLAALSA-N 0 3 324.468 3.011 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc2cc(C)ccc12 ZINC000960105964 657749532 /nfs/dbraw/zinc/74/95/32/657749532.db2.gz WUGJBCANAYTEIL-HALDLXJZSA-N 0 3 312.438 3.056 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001009122868 657751609 /nfs/dbraw/zinc/75/16/09/657751609.db2.gz HRQIFMNFKDNLLH-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001009202719 657755092 /nfs/dbraw/zinc/75/50/92/657755092.db2.gz OCZATCIKAITEEH-HNNXBMFYSA-N 0 3 318.848 3.174 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000960256114 657768001 /nfs/dbraw/zinc/76/80/01/657768001.db2.gz WHQAUHJICFTPTL-QKYXUNIQSA-N 0 3 310.441 3.291 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001009341458 657771945 /nfs/dbraw/zinc/77/19/45/657771945.db2.gz LEZVHXSORUKJAC-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)[nH]c1C ZINC000960311432 657775931 /nfs/dbraw/zinc/77/59/31/657775931.db2.gz ZNXNFBISUMNGOG-RTBURBONSA-N 0 3 323.440 3.193 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC(N(C)Cc2conc2C)CC1 ZINC000985620426 657786901 /nfs/dbraw/zinc/78/69/01/657786901.db2.gz ZDXJAXGKDZQJJG-GOSISDBHSA-N 0 3 319.449 3.008 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001009687774 657808690 /nfs/dbraw/zinc/80/86/90/657808690.db2.gz BNJQNRKYAJIUAL-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(CCF)C2)C1 ZINC000961234119 657984921 /nfs/dbraw/zinc/98/49/21/657984921.db2.gz XJLDZRQXLWGIAG-HZPDHXFCSA-N 0 3 310.457 3.119 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2oc3c(cccc3F)c2C)C1 ZINC001014720040 658043217 /nfs/dbraw/zinc/04/32/17/658043217.db2.gz BXHDPORPMYENPF-ZDUSSCGKSA-N 0 3 316.376 3.261 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3c2CCCCC3)C1 ZINC001014845424 658053631 /nfs/dbraw/zinc/05/36/31/658053631.db2.gz SAGISUVCUITTEA-KRWDZBQOSA-N 0 3 312.457 3.336 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001014923799 658066261 /nfs/dbraw/zinc/06/62/61/658066261.db2.gz ITUWGJBDUZCKRV-QRVBRYPASA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001015648848 658152148 /nfs/dbraw/zinc/15/21/48/658152148.db2.gz LUNBEMZXQZSRTF-XJKSGUPXSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)CC1 ZINC001015660181 658158671 /nfs/dbraw/zinc/15/86/71/658158671.db2.gz UGDFEWGVLRKQDW-LJQANCHMSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC000963280040 658181253 /nfs/dbraw/zinc/18/12/53/658181253.db2.gz WEHPYKQHMWOFOQ-LZDOZHLXSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1C=CC=CC=C1)C2 ZINC000963897615 658248664 /nfs/dbraw/zinc/24/86/64/658248664.db2.gz DHWOSYBLCPKNFS-UHFFFAOYSA-N 0 3 318.848 3.054 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001016312519 658266066 /nfs/dbraw/zinc/26/60/66/658266066.db2.gz YMOVHOMEWOBKIG-YXOSVLIBSA-N 0 3 316.489 3.215 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1(C)CCCC1)C2 ZINC000964575752 658288970 /nfs/dbraw/zinc/28/89/70/658288970.db2.gz UPLXQHWZIFXAIP-UHFFFAOYSA-N 0 3 310.869 3.336 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001016860061 658343871 /nfs/dbraw/zinc/34/38/71/658343871.db2.gz OKGNIIYWWROSKB-MJGOQNOKSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC001016884824 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QEGAKIFBJOVJTQ-XHDPSFHLSA-N 0 3 310.800 3.105 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN2Cc2cncc(C#N)c2)c1 ZINC000929315340 661296554 /nfs/dbraw/zinc/29/65/54/661296554.db2.gz YPXFLUBPTXQGFG-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN CCOC(=O)N1CCCN(CCCCC2(C#N)CCC2)CC1 ZINC000929421543 661305334 /nfs/dbraw/zinc/30/53/34/661305334.db2.gz QXEUUVLFZCUJNV-UHFFFAOYSA-N 0 3 307.438 3.015 20 30 DGEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC1CCC(C#N)CC1 ZINC000929617750 661321643 /nfs/dbraw/zinc/32/16/43/661321643.db2.gz VIPBCQPUHPTLFZ-FHERZECASA-N 0 3 321.465 3.258 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C(C)C ZINC000929972183 661354603 /nfs/dbraw/zinc/35/46/03/661354603.db2.gz YVCUSUNMTSAWSA-GOSISDBHSA-N 0 3 313.445 3.170 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000930019661 661358864 /nfs/dbraw/zinc/35/88/64/661358864.db2.gz XROPKIPGJXIDRN-INIZCTEOSA-N 0 3 312.417 3.005 20 30 DGEDHN N#CC[C@@H](O)CN1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000930089255 661365406 /nfs/dbraw/zinc/36/54/06/661365406.db2.gz LJCRYLNBDIMGHV-UYAOXDASSA-N 0 3 306.409 3.103 20 30 DGEDHN CCOc1ccc([C@@H](NC[C@H](O)CC#N)C(C)C)cc1OCC ZINC000930187429 661375469 /nfs/dbraw/zinc/37/54/69/661375469.db2.gz MOGZMTVIYOKSTR-QAPCUYQASA-N 0 3 320.433 3.045 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNC1(C(=O)N(C)C)CCCCC1 ZINC000930619359 661416080 /nfs/dbraw/zinc/41/60/80/661416080.db2.gz FHJHCZQBLIQMRJ-UHFFFAOYSA-N 0 3 313.445 3.056 20 30 DGEDHN CN(C)c1ncc(CN2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC000930924786 661439451 /nfs/dbraw/zinc/43/94/51/661439451.db2.gz WEDQXESLWLMSKN-HNNXBMFYSA-N 0 3 308.429 3.426 20 30 DGEDHN CN(C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000931475875 661480634 /nfs/dbraw/zinc/48/06/34/661480634.db2.gz NAQOUGJMCQTPDR-LVQVYYBASA-N 0 3 321.465 3.304 20 30 DGEDHN C[C@H](NC[C@H](O)CC#N)c1cccc(SC(F)(F)F)c1 ZINC000931754860 661505807 /nfs/dbraw/zinc/50/58/07/661505807.db2.gz CZHCILCAWXARTJ-GXSJLCMTSA-N 0 3 304.337 3.224 20 30 DGEDHN N#Cc1cc(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)ccc1F ZINC000931904762 661519825 /nfs/dbraw/zinc/51/98/25/661519825.db2.gz XHVGXIOXQRJBDK-QUCCMNQESA-N 0 3 322.383 3.097 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C(C)(C)C)oc2C)CC1 ZINC000932140689 661541812 /nfs/dbraw/zinc/54/18/12/661541812.db2.gz FSJSHSJRFGPVBW-UHFFFAOYSA-N 0 3 304.434 3.266 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN[C@@H](c2ccccn2)C2CC2)c1 ZINC000932381325 661564428 /nfs/dbraw/zinc/56/44/28/661564428.db2.gz NJTOQLUMCINYIJ-LJQANCHMSA-N 0 3 320.396 3.023 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC(CSC)CC1 ZINC000932592501 661583815 /nfs/dbraw/zinc/58/38/15/661583815.db2.gz YVNIINYVBKYAGZ-UHFFFAOYSA-N 0 3 320.458 3.021 20 30 DGEDHN CCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940435 661610839 /nfs/dbraw/zinc/61/08/39/661610839.db2.gz PCQRGQKBGDDTLM-KNVOCYPGSA-N 0 3 311.216 3.499 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@H](C3CCOCC3)C2)c1F ZINC000933082733 661616970 /nfs/dbraw/zinc/61/69/70/661616970.db2.gz XYJREGVPEUMDSS-MRXNPFEDSA-N 0 3 302.393 3.336 20 30 DGEDHN Cc1csc(C[C@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000933126503 661618748 /nfs/dbraw/zinc/61/87/48/661618748.db2.gz NYVWHXIRBGPAAI-GFCCVEGCSA-N 0 3 303.456 3.449 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CNC1([C@H]2CCCCO2)CC1 ZINC000933378195 661631335 /nfs/dbraw/zinc/63/13/35/661631335.db2.gz SSWKHZYGKLPRNL-MRXNPFEDSA-N 0 3 320.820 3.434 20 30 DGEDHN C#CCN(C[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCCc2ccccc21 ZINC000933417595 661633142 /nfs/dbraw/zinc/63/31/42/661633142.db2.gz GFKFHKDMFMVTIY-SJLPKXTDSA-N 0 3 309.409 3.095 20 30 DGEDHN Cc1noc(C[C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000933568577 661641802 /nfs/dbraw/zinc/64/18/02/661641802.db2.gz CVAPXGMKYLGYKY-BBRMVZONSA-N 0 3 310.401 3.265 20 30 DGEDHN C[C@]12CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703849 661652314 /nfs/dbraw/zinc/65/23/14/661652314.db2.gz PAQYKYSANAQDBT-JXSMBQFASA-N 0 3 309.369 3.110 20 30 DGEDHN N#CCc1ccc(CN2Cc3ncccc3N3CCC[C@H]3C2)cc1 ZINC000934495312 661711691 /nfs/dbraw/zinc/71/16/91/661711691.db2.gz UVOYKRDQRATGKY-SFHVURJKSA-N 0 3 318.424 3.132 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000934631674 661720720 /nfs/dbraw/zinc/72/07/20/661720720.db2.gz NSSXJIYOAUWUFD-UONOGXRCSA-N 0 3 312.413 3.190 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934840034 661740646 /nfs/dbraw/zinc/74/06/46/661740646.db2.gz ZIVNZEWPOPXHBG-JKSUJKDBSA-N 0 3 302.393 3.336 20 30 DGEDHN CN(Cc1cccc(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048877322 661896920 /nfs/dbraw/zinc/89/69/20/661896920.db2.gz KIGYXRCYVUYJQX-KRWDZBQOSA-N 0 3 300.789 3.377 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947424271 661908143 /nfs/dbraw/zinc/90/81/43/661908143.db2.gz AQMKWXVFPDPMQH-NEPJUHHUSA-N 0 3 310.850 3.008 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ccc(C)nc32)C[C@@H]1C ZINC000947434429 661908479 /nfs/dbraw/zinc/90/84/79/661908479.db2.gz WEYBFNVXCUPQSX-RDJZCZTQSA-N 0 3 323.440 3.312 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C[C@@H]1C ZINC000947445273 661909055 /nfs/dbraw/zinc/90/90/55/661909055.db2.gz JTHKEUUTOXLCDN-BBRMVZONSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)cc3ccoc32)C[C@H]1C ZINC000947468685 661910980 /nfs/dbraw/zinc/91/09/80/661910980.db2.gz OCSNOMYJGHXCIZ-IUODEOHRSA-N 0 3 316.376 3.341 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3ccccc32)C[C@@H]1C ZINC000947516315 661912733 /nfs/dbraw/zinc/91/27/33/661912733.db2.gz UQXWAUBAKQWWRJ-GJZGRUSLSA-N 0 3 309.413 3.004 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2CCC)C[C@H]1C ZINC000947533530 661914803 /nfs/dbraw/zinc/91/48/03/661914803.db2.gz SJDISHMYJSSUOQ-SJLPKXTDSA-N 0 3 312.457 3.245 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ncccc3s2)C[C@H]1C ZINC000947615627 661920311 /nfs/dbraw/zinc/92/03/11/661920311.db2.gz KGUXUTAEHSYEJR-CHWSQXEVSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3ccsc3c2)C[C@@H]1C ZINC000947622005 661921094 /nfs/dbraw/zinc/92/10/94/661921094.db2.gz ZRAMYVMHDFUXMK-GXTWGEPZSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2scnc2C(C)C)C[C@@H]1C ZINC000947792743 661932015 /nfs/dbraw/zinc/93/20/15/661932015.db2.gz RIOFUMBBXWDAJP-QWHCGFSZSA-N 0 3 307.463 3.035 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@@H]1C ZINC000947953229 661939672 /nfs/dbraw/zinc/93/96/72/661939672.db2.gz LIXDHWVEUWZEBT-XSLAGTTESA-N 0 3 304.478 3.195 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)C[C@H]1C ZINC000947962223 661940092 /nfs/dbraw/zinc/94/00/92/661940092.db2.gz LGMMKTKLGDQBDE-CHWSQXEVSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2oc3ccccc3c2C)C[C@H]1C ZINC000948001458 661943641 /nfs/dbraw/zinc/94/36/41/661943641.db2.gz AMMQBZQKXOPJOF-GDBMZVCRSA-N 0 3 324.424 3.347 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)C[C@@H]1C ZINC000947998022 661943685 /nfs/dbraw/zinc/94/36/85/661943685.db2.gz HSGJHVMGLMDHHX-JXFKEZNVSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3cccc(F)c3o2)C[C@@H]1C ZINC000948066056 661947636 /nfs/dbraw/zinc/94/76/36/661947636.db2.gz MOXBNZYUVPHKJN-GXTWGEPZSA-N 0 3 316.376 3.341 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)s2)C[C@H]1C ZINC000948078885 661949124 /nfs/dbraw/zinc/94/91/24/661949124.db2.gz PMVSWNJFNKGEBY-CABCVRRESA-N 0 3 318.486 3.478 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000948373321 661971568 /nfs/dbraw/zinc/97/15/68/661971568.db2.gz MMOYXAWPDFOVJB-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000948373322 661971725 /nfs/dbraw/zinc/97/17/25/661971725.db2.gz MMOYXAWPDFOVJB-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000948638450 661987718 /nfs/dbraw/zinc/98/77/18/661987718.db2.gz ADUAKTUFPOZCHR-OKYOBFRVSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc(Cl)c2F)CC1 ZINC000948734855 661994061 /nfs/dbraw/zinc/99/40/61/661994061.db2.gz UGZOMQPPMMSKNO-CYBMUJFWSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)cc2Cl)CC1 ZINC000948793568 661998419 /nfs/dbraw/zinc/99/84/19/661998419.db2.gz XMPZSCABQGTSJU-HNNXBMFYSA-N 0 3 318.848 3.208 20 30 DGEDHN C=Cc1ccc(C(=O)N(C)[C@@H]2CCCN(CC#CC)CC2)cc1 ZINC000948800640 661999000 /nfs/dbraw/zinc/99/90/00/661999000.db2.gz WQVFCHGAGCOTRS-LJQANCHMSA-N 0 3 310.441 3.279 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000948836922 662001555 /nfs/dbraw/zinc/00/15/55/662001555.db2.gz RQRXBPFMJNWKMY-IAGOWNOFSA-N 0 3 316.445 3.028 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000948836923 662001560 /nfs/dbraw/zinc/00/15/60/662001560.db2.gz RQRXBPFMJNWKMY-IRXDYDNUSA-N 0 3 316.445 3.028 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1 ZINC000948919785 662007858 /nfs/dbraw/zinc/00/78/58/662007858.db2.gz RHGCMDBCGPYMCC-LJQANCHMSA-N 0 3 323.440 3.310 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000948957800 662009172 /nfs/dbraw/zinc/00/91/72/662009172.db2.gz IXRCLWUZHZYGOQ-LJQANCHMSA-N 0 3 324.468 3.468 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)cccc2F)CC1 ZINC001006471711 662119452 /nfs/dbraw/zinc/11/94/52/662119452.db2.gz YQQGOPFCWJUSPM-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)c2ccccc2C)CC1 ZINC001006480407 662149047 /nfs/dbraw/zinc/14/90/47/662149047.db2.gz GXOXPZURGBNIQC-UHFFFAOYSA-N 0 3 314.473 3.381 20 30 DGEDHN CCCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000194173103 662159226 /nfs/dbraw/zinc/15/92/26/662159226.db2.gz MCGRHUMOMULGJY-LBPRGKRZSA-N 0 3 310.806 3.131 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)OC)cc1 ZINC000195492201 662190809 /nfs/dbraw/zinc/19/08/09/662190809.db2.gz CYHBHKIWJONOLS-XJKSGUPXSA-N 0 3 316.401 3.102 20 30 DGEDHN N#Cc1ccccc1CNC[C@@H]1CCC[C@@H]1NC(=O)C1=CCCC1 ZINC001036980344 662216859 /nfs/dbraw/zinc/21/68/59/662216859.db2.gz HIFDLWHSHFKSMP-OALUTQOASA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)cc2Cl)CCC1 ZINC000933299836 685326067 /nfs/dbraw/zinc/32/60/67/685326067.db2.gz LRMNTHXBEVRCPN-UHFFFAOYSA-N 0 3 311.212 3.468 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(Cl)cc2F)CC1 ZINC000948599703 685331920 /nfs/dbraw/zinc/33/19/20/685331920.db2.gz XGAVHWBAIPUKSP-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033867251 685394376 /nfs/dbraw/zinc/39/43/76/685394376.db2.gz HSQZTRNEJGGBNN-CYBMUJFWSA-N 0 3 324.371 3.085 20 30 DGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000142731749 685081772 /nfs/dbraw/zinc/08/17/72/685081772.db2.gz CHSXMCRYKLBSCK-CQSZACIVSA-N 0 3 321.380 3.366 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071490682 686668296 /nfs/dbraw/zinc/66/82/96/686668296.db2.gz PLZHIULAVMJJOB-STQMWFEESA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2c(C)noc2CCC)CC[C@@H]1C ZINC001071501823 686670251 /nfs/dbraw/zinc/67/02/51/686670251.db2.gz VEVMLTSLRUKLNN-DZGCQCFKSA-N 0 3 319.449 3.094 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(CCC)c2)CC[C@@H]1C ZINC001071589362 686696183 /nfs/dbraw/zinc/69/61/83/686696183.db2.gz UBWFCJMEDNEAIR-YJBOKZPZSA-N 0 3 315.461 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)c(F)cc2F)CC[C@H]1C ZINC001071602213 686697993 /nfs/dbraw/zinc/69/79/93/686697993.db2.gz HRGQOMLHRVJBAS-KGLIPLIRSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cccc2Cl)CC[C@H]1C ZINC001071649171 686712467 /nfs/dbraw/zinc/71/24/67/686712467.db2.gz VOHLRCIEHUDZAQ-CABCVRRESA-N 0 3 320.864 3.346 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]c3ccccc23)CC[C@@H]1C ZINC001071656167 686713965 /nfs/dbraw/zinc/71/39/65/686713965.db2.gz UONYQOBJPXJTJC-LSDHHAIUSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]c3ccccc23)CC[C@H]1C ZINC001071656160 686714131 /nfs/dbraw/zinc/71/41/31/686714131.db2.gz UONYQOBJPXJTJC-CABCVRRESA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)ccc2OC)CC[C@@H]1C ZINC001071660406 686714546 /nfs/dbraw/zinc/71/45/46/686714546.db2.gz VTEJTGVGRWOVFE-JKSUJKDBSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(F)ccc2C)CC[C@H]1C ZINC001071715047 686730659 /nfs/dbraw/zinc/73/06/59/686730659.db2.gz CQXCLXBNASXXPL-GDBMZVCRSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccc(Cl)c2)CC[C@@H]1C ZINC001071783294 686752236 /nfs/dbraw/zinc/75/22/36/686752236.db2.gz MQFHDPPAYMGGCU-YOEHRIQHSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(F)cc2Cl)CC[C@H]1C ZINC001071799464 686757876 /nfs/dbraw/zinc/75/78/76/686757876.db2.gz JDAXLGOFTJLUNK-IUODEOHRSA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc[nH]c2C2CCC2)CC[C@@H]1C ZINC001071828204 686763546 /nfs/dbraw/zinc/76/35/46/686763546.db2.gz KYOXCAVXRXZXLY-GOEBONIOSA-N 0 3 315.461 3.441 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(F)ccc2Cl)CC[C@H]1C ZINC001071844117 686768491 /nfs/dbraw/zinc/76/84/91/686768491.db2.gz HWASLPHRUZSCGC-OCCSQVGLSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)CC[C@@H]1C ZINC001071844971 686769553 /nfs/dbraw/zinc/76/95/53/686769553.db2.gz VMJKEJCZJOCJJV-GXTWGEPZSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)CC[C@@H]1C ZINC001071844580 686769852 /nfs/dbraw/zinc/76/98/52/686769852.db2.gz PFWUZVYSRAVNQY-JSGCOSHPSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sc(C)cc2OC)CC[C@@H]1C ZINC001071869956 686778058 /nfs/dbraw/zinc/77/80/58/686778058.db2.gz WUEXNMWHIXXCOK-JSGCOSHPSA-N 0 3 322.474 3.224 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2c(C)cc(C)cc2C)CC[C@@H]1C ZINC001072055030 686849475 /nfs/dbraw/zinc/84/94/75/686849475.db2.gz OAAKYZZAEZGNPG-ZWKOTPCHSA-N 0 3 312.457 3.218 20 30 DGEDHN C=CCN1C[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)CC[C@H]1C ZINC001072103265 686868077 /nfs/dbraw/zinc/86/80/77/686868077.db2.gz VUSGUAJXWUYNOE-HUUCEWRRSA-N 0 3 311.429 3.245 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(C3CC3)c2)CC[C@@H]1C ZINC001072109594 686870789 /nfs/dbraw/zinc/87/07/89/686870789.db2.gz JRUPJDASSLIJNY-KXBFYZLASA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cccc2F)CC[C@@H]1C ZINC001072116240 686875524 /nfs/dbraw/zinc/87/55/24/686875524.db2.gz KBMBZYPENYMBCJ-GJZGRUSLSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3scc(C)c3Cl)C2)C1 ZINC001072773441 686959444 /nfs/dbraw/zinc/95/94/44/686959444.db2.gz CPGOTXPTCULFPK-UHFFFAOYSA-N 0 3 310.850 3.044 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)Cc3cccc(C(C)C)c3)C2)C1 ZINC001072896400 686977979 /nfs/dbraw/zinc/97/79/79/686977979.db2.gz LXEWRDFDNKQNNR-UHFFFAOYSA-N 0 3 312.457 3.073 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001072951567 686990131 /nfs/dbraw/zinc/99/01/31/686990131.db2.gz KZQTYXDKUALMGY-KRWDZBQOSA-N 0 3 318.486 3.385 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc(CCC)c(C)s3)C2)C1 ZINC001073412863 687190772 /nfs/dbraw/zinc/19/07/72/687190772.db2.gz JKYNJGWDRMEBLO-UHFFFAOYSA-N 0 3 318.486 3.343 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)Cc3coc4cc(C)ccc34)C2)C1 ZINC001073410957 687190831 /nfs/dbraw/zinc/19/08/31/687190831.db2.gz ZFTOTPHKECPEOD-UHFFFAOYSA-N 0 3 324.424 3.004 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC(C)(C)c3ccccc3)C2)C1 ZINC001073457477 687197129 /nfs/dbraw/zinc/19/71/29/687197129.db2.gz RZGWSWWMJAMKCO-UHFFFAOYSA-N 0 3 312.457 3.075 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)C1 ZINC001073481803 687204759 /nfs/dbraw/zinc/20/47/59/687204759.db2.gz GKMDIRUAYCBWIC-UHFFFAOYSA-N 0 3 321.424 3.016 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)[C@@H]2C1 ZINC001075792116 687441343 /nfs/dbraw/zinc/44/13/43/687441343.db2.gz GDJJOMCSCMCRDL-MANSERQUSA-N 0 3 324.468 3.145 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)[C@@H]2C1 ZINC001076116215 687481847 /nfs/dbraw/zinc/48/18/47/687481847.db2.gz MJLKBUNONBCSMO-HNAYVOBHSA-N 0 3 323.440 3.199 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3F)[C@@H]2C1 ZINC001076200016 687494399 /nfs/dbraw/zinc/49/43/99/687494399.db2.gz BIFQTNKOCPCPPF-SWLSCSKDSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2C1 ZINC001076281354 687501634 /nfs/dbraw/zinc/50/16/34/687501634.db2.gz BLZBFYXHFNTYHH-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3sc(C)cc3C)[C@@H]2C1 ZINC001076514229 687532899 /nfs/dbraw/zinc/53/28/99/687532899.db2.gz YBGGYJWPCVGTPF-JKSUJKDBSA-N 0 3 318.486 3.016 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)c(F)c(C)c3)[C@@H]2C1 ZINC001076579578 687539616 /nfs/dbraw/zinc/53/96/16/687539616.db2.gz FRGVPUZAEVYFBB-DOTOQJQBSA-N 0 3 316.420 3.165 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(C)CC=CC2)C12CCC2 ZINC001078718526 687712361 /nfs/dbraw/zinc/71/23/61/687712361.db2.gz RFYAVSUUXCKSQP-KGLIPLIRSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccc(C)cc2)C12CCC2 ZINC001078791373 687731762 /nfs/dbraw/zinc/73/17/62/687731762.db2.gz IPBWBFRZYLEQKL-CVEARBPZSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001080116197 687921634 /nfs/dbraw/zinc/92/16/34/687921634.db2.gz MJMDECFGLYUMKN-GDBMZVCRSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001080184891 687928275 /nfs/dbraw/zinc/92/82/75/687928275.db2.gz WUOBQTHHMBSWDV-DNVCBOLYSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001080462750 687979444 /nfs/dbraw/zinc/97/94/44/687979444.db2.gz HTKVUFCUBXBYDK-RDTXWAMCSA-N 0 3 315.461 3.140 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001080503524 687988070 /nfs/dbraw/zinc/98/80/70/687988070.db2.gz VEIUWZQXLHAPQI-SFFUCWETSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001080778046 688010814 /nfs/dbraw/zinc/01/08/14/688010814.db2.gz SASHFTBJLRJUCD-BPLDGKMQSA-N 0 3 306.475 3.173 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001080820047 688015394 /nfs/dbraw/zinc/01/53/94/688015394.db2.gz LMKBHALRJLLPAG-HHXXYDBFSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001080829569 688016599 /nfs/dbraw/zinc/01/65/99/688016599.db2.gz HSWINLNLCNBPKS-RHSMWYFYSA-N 0 3 300.446 3.220 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001080863640 688020381 /nfs/dbraw/zinc/02/03/81/688020381.db2.gz WZSINIGTJJMVGM-ZYHUDNBSSA-N 0 3 314.401 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001080870576 688020459 /nfs/dbraw/zinc/02/04/59/688020459.db2.gz MCHMLWRLRSJKGO-AGERRDQYSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001080885337 688023590 /nfs/dbraw/zinc/02/35/90/688023590.db2.gz KPIDUMSSVMKDFK-IAQYHMDHSA-N 0 3 310.800 3.105 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001081008100 688033286 /nfs/dbraw/zinc/03/32/86/688033286.db2.gz XIZAXBGWIRLOAS-IIDMSEBBSA-N 0 3 300.446 3.436 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001081030865 688037946 /nfs/dbraw/zinc/03/79/46/688037946.db2.gz CLJQYPAXMNJGTB-JYPHPWERSA-N 0 3 312.457 3.193 20 30 DGEDHN C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CCCCC#N)CC(C)(C)C1 ZINC001576597702 1191850258 /nfs/dbraw/zinc/85/02/58/1191850258.db2.gz IBCHKSKEBDFAIV-OWCLPIDISA-N 0 3 307.482 3.366 20 30 DGEDHN CCCC[C@@H](N)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001577404375 1191898046 /nfs/dbraw/zinc/89/80/46/1191898046.db2.gz VOJVLIQAAUMXJB-OLZOCXBDSA-N 0 3 314.216 3.192 20 30 DGEDHN CN(C(=O)[C@H](N)CCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC001578367996 1191939537 /nfs/dbraw/zinc/93/95/37/1191939537.db2.gz FIEJLBGUIPFXQC-CYBMUJFWSA-N 0 3 314.216 3.367 20 30 DGEDHN CSc1c(F)cc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC001579384726 1191974812 /nfs/dbraw/zinc/97/48/12/1191974812.db2.gz LADOFXCEZBJXKD-LBPRGKRZSA-N 0 3 313.373 3.036 20 30 DGEDHN CSc1c(F)cc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC001579384725 1191974876 /nfs/dbraw/zinc/97/48/76/1191974876.db2.gz LADOFXCEZBJXKD-GFCCVEGCSA-N 0 3 313.373 3.036 20 30 DGEDHN Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H](N)CCCC#N ZINC001579648349 1191984262 /nfs/dbraw/zinc/98/42/62/1191984262.db2.gz OEBQUHAMDBASFE-INIZCTEOSA-N 0 3 308.385 3.017 20 30 DGEDHN Cc1cccc(C2=CCN(C(=O)[C@H](N)CCCCC#N)CC2)c1 ZINC001579756015 1191991403 /nfs/dbraw/zinc/99/14/03/1191991403.db2.gz BQOGIJRVEHFIOX-GOSISDBHSA-N 0 3 311.429 3.022 20 30 DGEDHN C=CC[C@@H](C)NCc1cccc(F)c1I ZINC001620798129 1192082367 /nfs/dbraw/zinc/08/23/67/1192082367.db2.gz VNBOIBYXJWCFGR-SECBINFHSA-N 0 3 319.161 3.485 20 30 DGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588561046 1192449977 /nfs/dbraw/zinc/44/99/77/1192449977.db2.gz WWQKPEARKVABKV-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588561046 1192449979 /nfs/dbraw/zinc/44/99/79/1192449979.db2.gz WWQKPEARKVABKV-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588561046 1192449983 /nfs/dbraw/zinc/44/99/83/1192449983.db2.gz WWQKPEARKVABKV-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588561046 1192449986 /nfs/dbraw/zinc/44/99/86/1192449986.db2.gz WWQKPEARKVABKV-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588558678 1192450060 /nfs/dbraw/zinc/45/00/60/1192450060.db2.gz BPLQVCQFHVMOEB-WBVHZDCISA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588558678 1192450064 /nfs/dbraw/zinc/45/00/64/1192450064.db2.gz BPLQVCQFHVMOEB-WBVHZDCISA-N 0 3 311.433 3.400 20 30 DGEDHN C=CCC1([NH2+]Cc2c(C)cc(-c3nnn[n-]3)cc2C)CCCC1 ZINC001588557383 1192450217 /nfs/dbraw/zinc/45/02/17/1192450217.db2.gz OIYXFUPSPBWFQM-UHFFFAOYSA-N 0 3 311.433 3.462 20 30 DGEDHN C=CCC1([NH2+]Cc2c(C)cc(-c3nn[n-]n3)cc2C)CCCC1 ZINC001588557383 1192450219 /nfs/dbraw/zinc/45/02/19/1192450219.db2.gz OIYXFUPSPBWFQM-UHFFFAOYSA-N 0 3 311.433 3.462 20 30 DGEDHN C=CCC[C@@H](CC)[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588577996 1192451620 /nfs/dbraw/zinc/45/16/20/1192451620.db2.gz UCZPWMOVOWZTFF-GFCCVEGCSA-N 0 3 305.813 3.355 20 30 DGEDHN C=CCC[C@@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588577996 1192451622 /nfs/dbraw/zinc/45/16/22/1192451622.db2.gz UCZPWMOVOWZTFF-GFCCVEGCSA-N 0 3 305.813 3.355 20 30 DGEDHN C=CC[N@@H+](CCc1ccco1)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588635837 1192451911 /nfs/dbraw/zinc/45/19/11/1192451911.db2.gz YAYPJDQHBCOFLQ-CQSZACIVSA-N 0 3 323.400 3.251 20 30 DGEDHN C=CC[N@H+](CCc1ccco1)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588635837 1192451913 /nfs/dbraw/zinc/45/19/13/1192451913.db2.gz YAYPJDQHBCOFLQ-CQSZACIVSA-N 0 3 323.400 3.251 20 30 DGEDHN C=CC[N@@H+](CCc1ccco1)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588635837 1192451914 /nfs/dbraw/zinc/45/19/14/1192451914.db2.gz YAYPJDQHBCOFLQ-CQSZACIVSA-N 0 3 323.400 3.251 20 30 DGEDHN C=CC[N@H+](CCc1ccco1)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588635837 1192451916 /nfs/dbraw/zinc/45/19/16/1192451916.db2.gz YAYPJDQHBCOFLQ-CQSZACIVSA-N 0 3 323.400 3.251 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2nsnc21 ZINC001620923180 1192612239 /nfs/dbraw/zinc/61/22/39/1192612239.db2.gz YWPSXKRTLUVBEO-HNNXBMFYSA-N 0 3 306.394 3.340 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001699639982 1176059348 /nfs/dbraw/zinc/05/93/48/1176059348.db2.gz VQRPMSNSJAGUIE-RYUDHWBXSA-N 0 3 306.372 3.120 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001691975919 1176078638 /nfs/dbraw/zinc/07/86/38/1176078638.db2.gz LSULCJKAXFVSSS-KBPBESRZSA-N 0 3 320.399 3.321 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001772512835 1176080110 /nfs/dbraw/zinc/08/01/10/1176080110.db2.gz GQNXONIUVFSGFK-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(F)c1 ZINC001772512873 1176080188 /nfs/dbraw/zinc/08/01/88/1176080188.db2.gz YNQWBOCFVAFIKE-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN CCC[C@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001670457218 1176142023 /nfs/dbraw/zinc/14/20/23/1176142023.db2.gz RPMJGWCWIWTDNI-LRDDRELGSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001670657333 1176204169 /nfs/dbraw/zinc/20/41/69/1176204169.db2.gz WAGKODQNRDRFAM-KGLIPLIRSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCN(CC)CCNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001691042113 1176205985 /nfs/dbraw/zinc/20/59/85/1176205985.db2.gz CHAOXEBXWBWPCG-UHFFFAOYSA-N 0 3 302.462 3.151 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)CCc1ccccc1F ZINC001670686326 1176217107 /nfs/dbraw/zinc/21/71/07/1176217107.db2.gz FBIYRNVFBITSPU-RDJZCZTQSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H](NC[C@H](F)CC)C2)CCCCC1 ZINC001690679626 1176241664 /nfs/dbraw/zinc/24/16/64/1176241664.db2.gz DMMRKILBFAAQQZ-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@]1(C)CCc2ccccc21 ZINC001670729318 1176251108 /nfs/dbraw/zinc/25/11/08/1176251108.db2.gz IMRCWLGFGQGABF-FXAWDEMLSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001691069243 1176292169 /nfs/dbraw/zinc/29/21/69/1176292169.db2.gz XDBYXCFOXNTSTL-IRXDYDNUSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)C(F)(F)F ZINC001691068999 1176292711 /nfs/dbraw/zinc/29/27/11/1176292711.db2.gz ULYGSOBXBAIIKI-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001691068972 1176293013 /nfs/dbraw/zinc/29/30/13/1176293013.db2.gz SZNIKPAKHCENPA-YJJPMGAVSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001691072178 1176293609 /nfs/dbraw/zinc/29/36/09/1176293609.db2.gz VGVMICMXORMRDF-MRXNPFEDSA-N 0 3 303.450 3.182 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001691075649 1176296606 /nfs/dbraw/zinc/29/66/06/1176296606.db2.gz ULBWYHBIOWHCLV-IEBWSBKVSA-N 0 3 314.473 3.282 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](CC)CC1CCCC1 ZINC001700192731 1176339273 /nfs/dbraw/zinc/33/92/73/1176339273.db2.gz AADYQMNFOFOUMO-GOSISDBHSA-N 0 3 306.494 3.397 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)(C)C)Cc1cccc(F)c1 ZINC001691179280 1176361446 /nfs/dbraw/zinc/36/14/46/1176361446.db2.gz IKDWFGCNDNKRCF-UHFFFAOYSA-N 0 3 318.436 3.203 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001691212336 1176393828 /nfs/dbraw/zinc/39/38/28/1176393828.db2.gz LNARWQQAXPUWQS-VHDGCEQUSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCN(CCNC(=O)c1oc2ccccc2c1CC)C1CC1 ZINC001691239623 1176409703 /nfs/dbraw/zinc/40/97/03/1176409703.db2.gz WEZRFMZBXVYSDV-UHFFFAOYSA-N 0 3 312.413 3.375 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncs1 ZINC001691356446 1176451672 /nfs/dbraw/zinc/45/16/72/1176451672.db2.gz PTNUYHMKAPIGMH-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1C ZINC001691416365 1176475623 /nfs/dbraw/zinc/47/56/23/1176475623.db2.gz ILABGFOJKNFMNR-PKOBYXMFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)CCc1csc(C)n1 ZINC001754328646 1176521296 /nfs/dbraw/zinc/52/12/96/1176521296.db2.gz ORRBGHOVYDFABJ-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001752133100 1176674418 /nfs/dbraw/zinc/67/44/18/1176674418.db2.gz ZSXOKHGIWRGQDG-SWLSCSKDSA-N 0 3 310.825 3.313 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001754961119 1176714510 /nfs/dbraw/zinc/71/45/10/1176714510.db2.gz ITRIXRANOIUSAX-WEVVVXLNSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC001752310006 1176726595 /nfs/dbraw/zinc/72/65/95/1176726595.db2.gz DUYLZGWQYJNPEF-QGZVFWFLSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1C(C)(C)C1(C)C)c1ccccc1 ZINC001691777905 1176805772 /nfs/dbraw/zinc/80/57/72/1176805772.db2.gz ILBNOIMPDMTAIL-HNNXBMFYSA-N 0 3 300.446 3.302 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H](C)c1ccco1 ZINC001752824086 1177211007 /nfs/dbraw/zinc/21/10/07/1177211007.db2.gz PETXZDMHTNEKRQ-HOTGVXAUSA-N 0 3 304.434 3.320 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc3cc[nH]c3c2)CC1 ZINC001670832623 1177217166 /nfs/dbraw/zinc/21/71/66/1177217166.db2.gz HJFMXIYEWOUHNC-UHFFFAOYSA-N 0 3 311.429 3.119 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cccc(OC)c2)CC1 ZINC001670850973 1177231626 /nfs/dbraw/zinc/23/16/26/1177231626.db2.gz XUSLXMXCKNECQH-SFHVURJKSA-N 0 3 316.445 3.036 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001691546796 1177308671 /nfs/dbraw/zinc/30/86/71/1177308671.db2.gz YSPPDMNTQZHKRN-AWEZNQCLSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2nc(C)sc2C)C1 ZINC001691571306 1177315392 /nfs/dbraw/zinc/31/53/92/1177315392.db2.gz MWWGFUIPYNNWHC-LSDHHAIUSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H](C)NC/C=C/Cl)c1ccccc1 ZINC001752921585 1177442711 /nfs/dbraw/zinc/44/27/11/1177442711.db2.gz UVIPILLSFNDSFA-FSQQNCNXSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)CC ZINC001670965058 1177557787 /nfs/dbraw/zinc/55/77/87/1177557787.db2.gz ODQHUIOKYHQPIK-KSZLIROESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCC ZINC001671006545 1177569260 /nfs/dbraw/zinc/56/92/60/1177569260.db2.gz JJABOVUJHDGWTI-KURKYZTESA-N 0 3 322.493 3.223 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001671039097 1177578311 /nfs/dbraw/zinc/57/83/11/1177578311.db2.gz KLHRSLDYBMYOAA-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H](C)NCc2nc(C)cs2)CC1 ZINC001691657912 1177598754 /nfs/dbraw/zinc/59/87/54/1177598754.db2.gz YQRISRFOWAWDKY-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001691677487 1177677654 /nfs/dbraw/zinc/67/76/54/1177677654.db2.gz CTVZZKXOBGKBLD-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001691682145 1177684135 /nfs/dbraw/zinc/68/41/35/1177684135.db2.gz ISZGLTPGGVHDOL-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC001113664808 1177726542 /nfs/dbraw/zinc/72/65/42/1177726542.db2.gz AARQNYXTOHUKFP-PKOBYXMFSA-N 0 3 312.457 3.455 20 30 DGEDHN Cc1cc(C#N)cc(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)c1 ZINC001227838362 1178076106 /nfs/dbraw/zinc/07/61/06/1178076106.db2.gz LBOABNUYYSEJCH-DOTOQJQBSA-N 0 3 307.397 3.476 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(N(C)Cc2cnc(C)o2)CC1 ZINC001331040200 1178120390 /nfs/dbraw/zinc/12/03/90/1178120390.db2.gz WVDUHPCKHLIEFE-HNNXBMFYSA-N 0 3 319.449 3.008 20 30 DGEDHN Cc1cc(NC[C@H](C)CCC#N)ccc1N1CCN(C)CC1 ZINC001331042720 1178121805 /nfs/dbraw/zinc/12/18/05/1178121805.db2.gz QRMSAXJBYSMHNO-OAHLLOKOSA-N 0 3 300.450 3.099 20 30 DGEDHN C=CC1(CC(=O)N(C)[C@@H](CNCCF)C2CC2)CCCCC1 ZINC001331340548 1178189536 /nfs/dbraw/zinc/18/95/36/1178189536.db2.gz SRUDTKPLRWFBFL-INIZCTEOSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001331428392 1178211753 /nfs/dbraw/zinc/21/17/53/1178211753.db2.gz WPDZDJXEDBWDHK-UONOGXRCSA-N 0 3 322.399 3.266 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc2c1CCCCC2 ZINC001331476038 1178223385 /nfs/dbraw/zinc/22/33/85/1178223385.db2.gz SDIZIKRNISPSLS-MRXNPFEDSA-N 0 3 312.457 3.029 20 30 DGEDHN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[C@@H]1C#N ZINC001331803750 1178284949 /nfs/dbraw/zinc/28/49/49/1178284949.db2.gz WBBZYUPQMLQEQP-XHSDSOJGSA-N 0 3 321.465 3.258 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)/C=C/C(C)(C)C ZINC001331871568 1178295054 /nfs/dbraw/zinc/29/50/54/1178295054.db2.gz ZSXRGOYYRRGXEP-ZVZPZUJUSA-N 0 3 324.468 3.219 20 30 DGEDHN Cc1cc(-c2nc([C@H]3CN4CCC3CC4)no2)cc(C)c1C#N ZINC001332454779 1178451180 /nfs/dbraw/zinc/45/11/80/1178451180.db2.gz FNBLUFPPAUEZPL-INIZCTEOSA-N 0 3 308.385 3.034 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001332808834 1178501629 /nfs/dbraw/zinc/50/16/29/1178501629.db2.gz PAMNEYCALJACRX-CQSZACIVSA-N 0 3 323.506 3.366 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001332843897 1178506082 /nfs/dbraw/zinc/50/60/82/1178506082.db2.gz QAPGTUBSPXHJER-UKRRQHHQSA-N 0 3 323.506 3.366 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001332858278 1178508913 /nfs/dbraw/zinc/50/89/13/1178508913.db2.gz RAQGVJMEKSMBNS-YOEHRIQHSA-N 0 3 323.506 3.366 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333048487 1178546146 /nfs/dbraw/zinc/54/61/46/1178546146.db2.gz HUMMBLNAPIZVDX-IPJUCJBFSA-N 0 3 312.457 3.053 20 30 DGEDHN COCc1csc(CNCc2cccc(OCC#N)c2)c1 ZINC001333301090 1178584216 /nfs/dbraw/zinc/58/42/16/1178584216.db2.gz GQMAVESUTVRSRS-UHFFFAOYSA-N 0 3 302.399 3.087 20 30 DGEDHN CCC[C@@H](NC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 ZINC001333891585 1178691385 /nfs/dbraw/zinc/69/13/85/1178691385.db2.gz VOCUKVCWHHNHMK-ZIAGYGMSSA-N 0 3 300.324 3.411 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@H]4CCCC[C@H]4C3)C2=O)cc1 ZINC001334128857 1178724295 /nfs/dbraw/zinc/72/42/95/1178724295.db2.gz NWVQSLUKNCQRQO-AOIWGVFYSA-N 0 3 323.440 3.176 20 30 DGEDHN C=CCCCC[C@@H](C)NCc1cn(C)nc1Br ZINC001334777642 1178795741 /nfs/dbraw/zinc/79/57/41/1178795741.db2.gz APLSWSWOSDJUTB-LLVKDONJSA-N 0 3 300.244 3.407 20 30 DGEDHN C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCN(C)CC2)cc1 ZINC001335394189 1178904089 /nfs/dbraw/zinc/90/40/89/1178904089.db2.gz QITANVKAEIGQGO-OAHLLOKOSA-N 0 3 300.450 3.179 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1N1CCCCC1 ZINC001341513744 1179021441 /nfs/dbraw/zinc/02/14/41/1179021441.db2.gz CWHQHCXMIPTICL-OAHLLOKOSA-N 0 3 301.434 3.299 20 30 DGEDHN CC(C)n1cccc1C(=O)C(C#N)c1nc(N)c2ccccc2n1 ZINC001341803449 1179064242 /nfs/dbraw/zinc/06/42/42/1179064242.db2.gz YBGUFWTVTHKELH-ZDUSSCGKSA-N 0 3 319.368 3.084 20 30 DGEDHN CC[N@H+](Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1)C(C)C ZINC001342168251 1179112443 /nfs/dbraw/zinc/11/24/43/1179112443.db2.gz ZJZKEBNAEVBFCE-QGZVFWFLSA-N 0 3 324.428 3.140 20 30 DGEDHN CC[N@@H+](Cc1ccc(C([O-])=C(C#N)c2nccn2C)cc1)C(C)C ZINC001342168251 1179112447 /nfs/dbraw/zinc/11/24/47/1179112447.db2.gz ZJZKEBNAEVBFCE-QGZVFWFLSA-N 0 3 324.428 3.140 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC001342230743 1179120266 /nfs/dbraw/zinc/12/02/66/1179120266.db2.gz GHVIIKMMSVAYLG-ZWKOTPCHSA-N 0 3 317.477 3.450 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NCc1ncc(Cl)s1 ZINC001342338918 1179131527 /nfs/dbraw/zinc/13/15/27/1179131527.db2.gz JSAUGEYVGKBNJH-NSHDSACASA-N 0 3 317.886 3.491 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)c1ccccn1 ZINC001342456279 1179142476 /nfs/dbraw/zinc/14/24/76/1179142476.db2.gz UHCDTOHAAAOMSL-IEBWSBKVSA-N 0 3 323.440 3.165 20 30 DGEDHN CC(C)(Cc1ccc(C#N)cc1)NC(=O)C[C@H](N)c1ccccc1 ZINC001342536064 1179150923 /nfs/dbraw/zinc/15/09/23/1179150923.db2.gz LWDSWAPXQBNYRV-SFHVURJKSA-N 0 3 321.424 3.086 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCOc1ccccc1Cl ZINC001342925460 1179212111 /nfs/dbraw/zinc/21/21/11/1179212111.db2.gz TTYSVVYYYQDZGT-GFCCVEGCSA-N 0 3 317.776 3.109 20 30 DGEDHN C[C@H](CC#N)C(=O)OC[C@H]1CCCCN1Cc1ccccc1 ZINC001343409666 1179268491 /nfs/dbraw/zinc/26/84/91/1179268491.db2.gz USAUWDFNDMGJET-NVXWUHKLSA-N 0 3 300.402 3.134 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)c1 ZINC001343492200 1179285118 /nfs/dbraw/zinc/28/51/18/1179285118.db2.gz VXAJUEPCLOGQKD-BBRMVZONSA-N 0 3 312.369 3.089 20 30 DGEDHN C=C[C@H](CC)CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC001343507667 1179288347 /nfs/dbraw/zinc/28/83/47/1179288347.db2.gz AAESYLYFQQEEBX-KGLIPLIRSA-N 0 3 314.385 3.335 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344367465 1179420527 /nfs/dbraw/zinc/42/05/27/1179420527.db2.gz GXJPPZBMUUUBJN-GHMZBOCLSA-N 0 3 317.776 3.209 20 30 DGEDHN Cc1cccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC001344543088 1179448979 /nfs/dbraw/zinc/44/89/79/1179448979.db2.gz QWPMQPLZHHGBRB-NSHDSACASA-N 0 3 313.744 3.005 20 30 DGEDHN C=CCC1(C(=O)NCCCN(C)Cc2cccnc2)CCCC1 ZINC001479818121 1179462440 /nfs/dbraw/zinc/46/24/40/1179462440.db2.gz RCKCMEXHZJUTJF-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCOc1ccccc1 ZINC001345647274 1179586202 /nfs/dbraw/zinc/58/62/02/1179586202.db2.gz UOMYIOJGNFJNNY-HOCLYGCPSA-N 0 3 311.385 3.184 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001346097123 1179652659 /nfs/dbraw/zinc/65/26/59/1179652659.db2.gz YFQUXLKFRILLPX-NSHDSACASA-N 0 3 305.740 3.114 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001346958426 1179764559 /nfs/dbraw/zinc/76/45/59/1179764559.db2.gz BRKNKSMEEMXCFA-GOSISDBHSA-N 0 3 316.445 3.305 20 30 DGEDHN C=C(CC)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001347054345 1179772380 /nfs/dbraw/zinc/77/23/80/1179772380.db2.gz ZJGSOVNCZDAKJD-QGZVFWFLSA-N 0 3 324.428 3.235 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2[nH]ccc2C)CC1 ZINC001479992317 1179952980 /nfs/dbraw/zinc/95/29/80/1179952980.db2.gz NDILHVQKGHAJFB-UHFFFAOYSA-N 0 3 303.450 3.216 20 30 DGEDHN C#CCCCC[NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602711566 1192995059 /nfs/dbraw/zinc/99/50/59/1192995059.db2.gz XMEHIUFGIVQJFL-QGZVFWFLSA-N 0 3 309.417 3.027 20 30 DGEDHN C#CCCCC[NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602711566 1192995060 /nfs/dbraw/zinc/99/50/60/1192995060.db2.gz XMEHIUFGIVQJFL-QGZVFWFLSA-N 0 3 309.417 3.027 20 30 DGEDHN C#CCCCCCC[N@@H+](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602711406 1192995217 /nfs/dbraw/zinc/99/52/17/1192995217.db2.gz STKVHSOAXZNRFX-HNNXBMFYSA-N 0 3 311.433 3.443 20 30 DGEDHN C#CCCCCCC[N@H+](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602711406 1192995221 /nfs/dbraw/zinc/99/52/21/1192995221.db2.gz STKVHSOAXZNRFX-HNNXBMFYSA-N 0 3 311.433 3.443 20 30 DGEDHN C#CCCCCCC[N@@H+](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602711406 1192995223 /nfs/dbraw/zinc/99/52/23/1192995223.db2.gz STKVHSOAXZNRFX-HNNXBMFYSA-N 0 3 311.433 3.443 20 30 DGEDHN C#CCCCCCC[N@H+](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602711406 1192995225 /nfs/dbraw/zinc/99/52/25/1192995225.db2.gz STKVHSOAXZNRFX-HNNXBMFYSA-N 0 3 311.433 3.443 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602825471 1192998968 /nfs/dbraw/zinc/99/89/68/1192998968.db2.gz XOOAIFLLGMGCNQ-CJNGLKHVSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602825471 1192998971 /nfs/dbraw/zinc/99/89/71/1192998971.db2.gz XOOAIFLLGMGCNQ-CJNGLKHVSA-N 0 3 315.396 3.230 20 30 DGEDHN CCCCCCCCC(=O)N[C@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001100084864 1180367392 /nfs/dbraw/zinc/36/73/92/1180367392.db2.gz BYNQAZZOJRPJGW-ZWKOTPCHSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2ccc(F)cc2Cl)C1 ZINC001100170445 1180418831 /nfs/dbraw/zinc/41/88/31/1180418831.db2.gz OIXRAUGDJJSEDT-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN C#CCCCCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100259927 1180499028 /nfs/dbraw/zinc/49/90/28/1180499028.db2.gz ZHFFKCYSUBGSPG-UHFFFAOYSA-N 0 3 316.420 3.004 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2ccc(OC)cc2)CC1 ZINC001353313619 1180525174 /nfs/dbraw/zinc/52/51/74/1180525174.db2.gz OVJBTGAFZXYEMS-SFHVURJKSA-N 0 3 316.445 3.085 20 30 DGEDHN C[C@H](CNC(=O)[C@H]1CCC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001480532184 1180612892 /nfs/dbraw/zinc/61/28/92/1180612892.db2.gz CJKBVIVEPFAUBQ-OLZOCXBDSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001100608308 1180847926 /nfs/dbraw/zinc/84/79/26/1180847926.db2.gz BKQWESAAXXSUOO-OTTFEQOBSA-N 0 3 320.811 3.049 20 30 DGEDHN C[C@H](NC[C@H](O)CC#N)c1cccc(OCc2ccccc2)c1 ZINC001354711098 1180883164 /nfs/dbraw/zinc/88/31/64/1180883164.db2.gz BQQDOSQGPUARIZ-MAUKXSAKSA-N 0 3 310.397 3.191 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)CC2CCCC2)C1 ZINC001100726668 1180974691 /nfs/dbraw/zinc/97/46/91/1180974691.db2.gz FAFUETCSEZELSZ-UWTIGNOOSA-N 0 3 312.885 3.440 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC001356120175 1181143733 /nfs/dbraw/zinc/14/37/33/1181143733.db2.gz WFAYAFIDJRLLPW-KCQAQPDRSA-N 0 3 302.349 3.171 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H](C)CCC ZINC001356557325 1181214968 /nfs/dbraw/zinc/21/49/68/1181214968.db2.gz PVRNBIJKKJWQPA-HZPDHXFCSA-N 0 3 319.497 3.288 20 30 DGEDHN N#C[C@@H]1CC[C@@H](OC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC001357661254 1181416911 /nfs/dbraw/zinc/41/69/11/1181416911.db2.gz FAVFYUPVPGVSQD-SJLPKXTDSA-N 0 3 312.413 3.134 20 30 DGEDHN Cc1cccnc1[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC001358453187 1181496071 /nfs/dbraw/zinc/49/60/71/1181496071.db2.gz ONLYCSKOSHQGOS-GOEBONIOSA-N 0 3 316.449 3.005 20 30 DGEDHN C[C@@H](C(=O)N([O-])CCCCc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001457992481 1182488760 /nfs/dbraw/zinc/48/87/60/1182488760.db2.gz IFONTQQMIVRSQC-BBWFWOEESA-N 0 3 318.461 3.488 20 30 DGEDHN C[C@@H](C(=O)N([O-])CCCCc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001457992481 1182488767 /nfs/dbraw/zinc/48/87/67/1182488767.db2.gz IFONTQQMIVRSQC-BBWFWOEESA-N 0 3 318.461 3.488 20 30 DGEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001458012122 1182489589 /nfs/dbraw/zinc/48/95/89/1182489589.db2.gz RLBWSEOCGJJOHH-IRXDYDNUSA-N 0 3 304.434 3.478 20 30 DGEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001458012122 1182489592 /nfs/dbraw/zinc/48/95/92/1182489592.db2.gz RLBWSEOCGJJOHH-IRXDYDNUSA-N 0 3 304.434 3.478 20 30 DGEDHN N#Cc1cccc(Br)c1N[C@@H]1CCN2CCCC[C@H]12 ZINC001458111467 1182497453 /nfs/dbraw/zinc/49/74/53/1182497453.db2.gz DXSHOBHLLWSNBY-ZIAGYGMSSA-N 0 3 320.234 3.359 20 30 DGEDHN N#Cc1cccc(Br)c1N[C@H]1CCN2CCCC[C@H]12 ZINC001458111464 1182497728 /nfs/dbraw/zinc/49/77/28/1182497728.db2.gz DXSHOBHLLWSNBY-UONOGXRCSA-N 0 3 320.234 3.359 20 30 DGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC001460362690 1182682870 /nfs/dbraw/zinc/68/28/70/1182682870.db2.gz NUCDMXLHAPGDCL-HUUCEWRRSA-N 0 3 304.409 3.119 20 30 DGEDHN N#CC1(CN[C@@H]2CCc3cccc(Cl)c3C2)CCOCC1 ZINC001462650815 1182980602 /nfs/dbraw/zinc/98/06/02/1182980602.db2.gz CDKJMKXIMFTMDC-CQSZACIVSA-N 0 3 304.821 3.107 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCCC1 ZINC001463770418 1183046493 /nfs/dbraw/zinc/04/64/93/1183046493.db2.gz MUHGRSOSFVIOMO-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001467728282 1183284592 /nfs/dbraw/zinc/28/45/92/1183284592.db2.gz CSNUCYZGSNUPQJ-DLBZAZTESA-N 0 3 320.864 3.410 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C3CCC3)CC2)CC1 ZINC001468646717 1183349016 /nfs/dbraw/zinc/34/90/16/1183349016.db2.gz CQCIEZCIRDWKQW-KRWDZBQOSA-N 0 3 319.493 3.249 20 30 DGEDHN CC[C@H]1CN(CC)CCN1c1ccc(C#N)c(Br)c1 ZINC001472782206 1183680393 /nfs/dbraw/zinc/68/03/93/1183680393.db2.gz SENOOFVCHINKPM-ZDUSSCGKSA-N 0 3 322.250 3.241 20 30 DGEDHN Cc1ccc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001473454808 1183759737 /nfs/dbraw/zinc/75/97/37/1183759737.db2.gz UKKIFCUKJORDKD-NRFANRHFSA-N 0 3 319.452 3.225 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001473581119 1183776278 /nfs/dbraw/zinc/77/62/78/1183776278.db2.gz IJZGKXAETJWKSA-MOPGFXCFSA-N 0 3 324.468 3.452 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001473581122 1183776612 /nfs/dbraw/zinc/77/66/12/1183776612.db2.gz IJZGKXAETJWKSA-RTBURBONSA-N 0 3 324.468 3.452 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC001473627409 1183782470 /nfs/dbraw/zinc/78/24/70/1183782470.db2.gz JVIGJJDSKQHDAL-HNNXBMFYSA-N 0 3 306.837 3.244 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]2CCCC[C@@H]12 ZINC001473738144 1183795056 /nfs/dbraw/zinc/79/50/56/1183795056.db2.gz WHDVWUVAMDCWKB-FGTMMUONSA-N 0 3 303.833 3.317 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc2c(c1)CCC2 ZINC001473934788 1183833681 /nfs/dbraw/zinc/83/36/81/1183833681.db2.gz HICUHAAFQKPPTG-UHFFFAOYSA-N 0 3 305.425 3.403 20 30 DGEDHN C#C[C@@H](NCc1c[nH]c(C(=O)OCc2ccccc2)c1)C(C)C ZINC001474507879 1183932906 /nfs/dbraw/zinc/93/29/06/1183932906.db2.gz FRTUDLCCRAOWQY-QGZVFWFLSA-N 0 3 310.397 3.119 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001477471627 1184091656 /nfs/dbraw/zinc/09/16/56/1184091656.db2.gz LAUUQMDNFSNBJT-QGZVFWFLSA-N 0 3 303.450 3.117 20 30 DGEDHN C=C(C)CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001478773107 1184174380 /nfs/dbraw/zinc/17/43/80/1184174380.db2.gz ZYTBQHNWXAXJRU-GOSISDBHSA-N 0 3 317.477 3.363 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001479225383 1184211681 /nfs/dbraw/zinc/21/16/81/1184211681.db2.gz OGKXNAFRJDSPEN-CQSZACIVSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001479260491 1184222205 /nfs/dbraw/zinc/22/22/05/1184222205.db2.gz JJEKPYQCXSUINK-SFHVURJKSA-N 0 3 314.473 3.381 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1cccc(F)c1F ZINC001479273246 1184223365 /nfs/dbraw/zinc/22/33/65/1184223365.db2.gz FJHJXZFQOYFEEG-HNNXBMFYSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001479270729 1184223926 /nfs/dbraw/zinc/22/39/26/1184223926.db2.gz JISQPHALXHPPNZ-ROUUACIJSA-N 0 3 300.446 3.287 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001479320828 1184232255 /nfs/dbraw/zinc/23/22/55/1184232255.db2.gz NNONLBXEJRUQEO-SGMGOOAPSA-N 0 3 312.866 3.089 20 30 DGEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC001479655486 1184284260 /nfs/dbraw/zinc/28/42/60/1184284260.db2.gz WXWBMAVALRUPDZ-KRWDZBQOSA-N 0 3 324.509 3.064 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2C(C)C)[C@H]1C ZINC001479720440 1184298431 /nfs/dbraw/zinc/29/84/31/1184298431.db2.gz VPZPQOPDUBKKCW-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN CCC/C=C\CCN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479902774 1184372765 /nfs/dbraw/zinc/37/27/65/1184372765.db2.gz ATURJEBWUCCMAG-QWPQOLDESA-N 0 3 304.478 3.363 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001479954672 1184388445 /nfs/dbraw/zinc/38/84/45/1184388445.db2.gz VEUBURQBJJSWGF-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001479961222 1184392369 /nfs/dbraw/zinc/39/23/69/1184392369.db2.gz DHUZWFAWUQCQEE-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001479973098 1184400994 /nfs/dbraw/zinc/40/09/94/1184400994.db2.gz WIJYDZVRPVOTKJ-CYBMUJFWSA-N 0 3 321.490 3.211 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001479994580 1184407327 /nfs/dbraw/zinc/40/73/27/1184407327.db2.gz VDZUIARWLLYIGN-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1CCC2 ZINC001480103474 1184436023 /nfs/dbraw/zinc/43/60/23/1184436023.db2.gz QMULQOLEGPUUDE-HDICACEKSA-N 0 3 324.468 3.430 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001480119927 1184439647 /nfs/dbraw/zinc/43/96/47/1184439647.db2.gz UDUBGBKZCXAGRM-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001480154688 1184446520 /nfs/dbraw/zinc/44/65/20/1184446520.db2.gz UHPPXUIAIAFUOV-SHTZXODSSA-N 0 3 308.372 3.058 20 30 DGEDHN CC1(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CCCCC1 ZINC001480157549 1184447516 /nfs/dbraw/zinc/44/75/16/1184447516.db2.gz WJPPKWHOSVKPBL-WGSAOQKQSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001480216465 1184461912 /nfs/dbraw/zinc/46/19/12/1184461912.db2.gz NIPVBGPCESLSQG-IYBDPMFKSA-N 0 3 318.436 3.473 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001480318439 1184491213 /nfs/dbraw/zinc/49/12/13/1184491213.db2.gz ICHHQLCTMABXLF-GHOSXJJBSA-N 0 3 312.457 3.332 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001480321017 1184492404 /nfs/dbraw/zinc/49/24/04/1184492404.db2.gz GLLSUWIVZSZEPZ-PMACEKPBSA-N 0 3 324.468 3.174 20 30 DGEDHN O=C(C=C1CCC1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001480343595 1184500073 /nfs/dbraw/zinc/50/00/73/1184500073.db2.gz FWGBVHLHZWHZJH-HXUWFJFHSA-N 0 3 322.452 3.119 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001480644165 1184566270 /nfs/dbraw/zinc/56/62/70/1184566270.db2.gz RBPXCSCIEIAARE-BFTHVDOESA-N 0 3 305.249 3.100 20 30 DGEDHN CC/C(C)=C\C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001480763764 1184602319 /nfs/dbraw/zinc/60/23/19/1184602319.db2.gz XMCJIESJMGOXHR-XXYUJHKVSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCCCC1(F)F ZINC001480782494 1184606202 /nfs/dbraw/zinc/60/62/02/1184606202.db2.gz SKLZHAVASOTQJI-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001480799236 1184611350 /nfs/dbraw/zinc/61/13/50/1184611350.db2.gz REHVJCHGAUQIES-GDBMZVCRSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001480811682 1184614498 /nfs/dbraw/zinc/61/44/98/1184614498.db2.gz BNKQSAMBIXUSRE-ZBFHGGJFSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1ccc2c(c1)CCC2)C1CC1 ZINC001493354389 1184692013 /nfs/dbraw/zinc/69/20/13/1184692013.db2.gz KORFNBFWHRVJEE-UHFFFAOYSA-N 0 3 312.457 3.222 20 30 DGEDHN CC(C)c1ccccc1CN(CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001493356043 1184693426 /nfs/dbraw/zinc/69/34/26/1184693426.db2.gz CPQNCFKIAXFXQO-HNNXBMFYSA-N 0 3 313.445 3.050 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CCc1cccs1)C1CC1 ZINC001493396746 1184699657 /nfs/dbraw/zinc/69/96/57/1184699657.db2.gz CHTRZAAVWKUXOK-UHFFFAOYSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c(F)cccc1Cl)C1CC1 ZINC001493440473 1184706560 /nfs/dbraw/zinc/70/65/60/1184706560.db2.gz MYQWUCKQYPSWOP-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001493654746 1184722358 /nfs/dbraw/zinc/72/23/58/1184722358.db2.gz KSFJTXRBADVIHY-LBPRGKRZSA-N 0 3 310.388 3.286 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(Cc2cc(C)no2)C(C)C)C1 ZINC001493869825 1184754614 /nfs/dbraw/zinc/75/46/14/1184754614.db2.gz OCWQWUOKBVTBEK-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)c1ccco1)c1ccccc1 ZINC001493898282 1184761416 /nfs/dbraw/zinc/76/14/16/1184761416.db2.gz JWGJNKVPPIOBSL-RDJZCZTQSA-N 0 3 312.413 3.406 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001493966347 1184777717 /nfs/dbraw/zinc/77/77/17/1184777717.db2.gz CDNGXPZYAQESML-GOSISDBHSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001493964319 1184779246 /nfs/dbraw/zinc/77/92/46/1184779246.db2.gz KGBZEZHVAFXCNV-OKYOBFRVSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(F)F ZINC001494673594 1184903401 /nfs/dbraw/zinc/90/34/01/1184903401.db2.gz YAACMHAPYFVQLI-KKUMJFAQSA-N 0 3 314.420 3.309 20 30 DGEDHN Cc1cccc(C)c1CN1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001494705862 1184908614 /nfs/dbraw/zinc/90/86/14/1184908614.db2.gz AWUVOZLSUXXSHF-KRWDZBQOSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001494804913 1184931702 /nfs/dbraw/zinc/93/17/02/1184931702.db2.gz ASWNWXPYKCWMEF-GOSISDBHSA-N 0 3 323.440 3.234 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001494873750 1184950311 /nfs/dbraw/zinc/95/03/11/1184950311.db2.gz CGGGJIPGEVZQBD-MSOLQXFVSA-N 0 3 312.457 3.215 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494913825 1184961546 /nfs/dbraw/zinc/96/15/46/1184961546.db2.gz PKFVGLWGSHLZGT-IAGOWNOFSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001495049525 1184987260 /nfs/dbraw/zinc/98/72/60/1184987260.db2.gz JTXSUFLHIFXWRF-AZUAARDMSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc[nH]c1CCC)C1CC1 ZINC001495278796 1185021368 /nfs/dbraw/zinc/02/13/68/1185021368.db2.gz JEJBUFGCUFEANM-QGZVFWFLSA-N 0 3 323.868 3.208 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001495355404 1185037573 /nfs/dbraw/zinc/03/75/73/1185037573.db2.gz KPQHGGXDCNPYCB-CQSZACIVSA-N 0 3 310.825 3.172 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H]2CC)cc1 ZINC001495495790 1185064854 /nfs/dbraw/zinc/06/48/54/1185064854.db2.gz SOCPJIXLUABLLX-MOPGFXCFSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2CC)cc1 ZINC001495495793 1185065050 /nfs/dbraw/zinc/06/50/50/1185065050.db2.gz SOCPJIXLUABLLX-RBUKOAKNSA-N 0 3 312.457 3.242 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001495554280 1185072390 /nfs/dbraw/zinc/07/23/90/1185072390.db2.gz CRBCSCMKVWSQRG-MRXNPFEDSA-N 0 3 318.848 3.080 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001496384982 1185178947 /nfs/dbraw/zinc/17/89/47/1185178947.db2.gz DZGBAHIIACJJBZ-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C(F)F ZINC001496385211 1185179004 /nfs/dbraw/zinc/17/90/04/1185179004.db2.gz ISJWTRKETVAUGM-AGIUHOORSA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(C(F)F)CCCC1)C(C)C ZINC001496598821 1185218458 /nfs/dbraw/zinc/21/84/58/1185218458.db2.gz PRVTXISLJGTKDH-LBPRGKRZSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C(F)F)ccc1F ZINC001496704117 1185234435 /nfs/dbraw/zinc/23/44/35/1185234435.db2.gz IAXLDFTXNJCVGS-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C/Cl)C2)CCC1 ZINC001496859899 1185259605 /nfs/dbraw/zinc/25/96/05/1185259605.db2.gz AKYRTLHRKBCWHY-HDRDLZFGSA-N 0 3 322.880 3.408 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001497473301 1185339158 /nfs/dbraw/zinc/33/91/58/1185339158.db2.gz OESWGMNSMNUXCS-JKSUJKDBSA-N 0 3 315.461 3.179 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001497986705 1185419076 /nfs/dbraw/zinc/41/90/76/1185419076.db2.gz DTIPAGKJRKHVOW-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1CC/C=C\c1ccccc1 ZINC001498966192 1185580597 /nfs/dbraw/zinc/58/05/97/1185580597.db2.gz CHWJAHUQAQRIAX-ICEKFOEVSA-N 0 3 310.441 3.084 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001499032891 1185594083 /nfs/dbraw/zinc/59/40/83/1185594083.db2.gz NEVOYDRLLVIMPJ-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001499063403 1185603297 /nfs/dbraw/zinc/60/32/97/1185603297.db2.gz PJEMCEUWYSIZKO-GJZGRUSLSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC001499081704 1185606493 /nfs/dbraw/zinc/60/64/93/1185606493.db2.gz FWHBDSSWVDQZRA-GJZGRUSLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001499111731 1185613867 /nfs/dbraw/zinc/61/38/67/1185613867.db2.gz GXOSMYXKJQQTBK-AEFFLSMTSA-N 0 3 312.457 3.263 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C/Cl)C1 ZINC001499479936 1185655213 /nfs/dbraw/zinc/65/52/13/1185655213.db2.gz AXFYHJXLERQNRX-AVTSYZAUSA-N 0 3 322.880 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCc1cc(C)ns1 ZINC001499897745 1185714061 /nfs/dbraw/zinc/71/40/61/1185714061.db2.gz SOGLOZUWIFSMNU-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C(C)=C\CC)C2 ZINC001500155389 1185748688 /nfs/dbraw/zinc/74/86/88/1185748688.db2.gz CVWAILCLKXOVGE-IISPMBILSA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCCCC(=O)N[C@@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001500251576 1185764981 /nfs/dbraw/zinc/76/49/81/1185764981.db2.gz SFHJJYOSQIKMQV-DGDFFNOKSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001500351970 1185778099 /nfs/dbraw/zinc/77/80/99/1185778099.db2.gz LDSMIGSTOIMTFU-NRUITVPNSA-N 0 3 319.276 3.490 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001500511511 1185810915 /nfs/dbraw/zinc/81/09/15/1185810915.db2.gz DMQBMOJIPMPTOU-DMUMMCEESA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001500515507 1185812534 /nfs/dbraw/zinc/81/25/34/1185812534.db2.gz RWLYNUQKRJMXBI-VQIMIIECSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001500555926 1185822694 /nfs/dbraw/zinc/82/26/94/1185822694.db2.gz PVUUSYWHFBRUHS-QGZVFWFLSA-N 0 3 321.490 3.284 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)/C=C(\C)CC)C2)CC1 ZINC001501016081 1185856064 /nfs/dbraw/zinc/85/60/64/1185856064.db2.gz SFVNVAYCBHUIIC-LQATUXICSA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1CC ZINC001501019587 1185857116 /nfs/dbraw/zinc/85/71/16/1185857116.db2.gz SAQXENYLNVPXBT-KDOFPFPSSA-N 0 3 300.446 3.228 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)CC1CCCC1 ZINC001501191522 1185881441 /nfs/dbraw/zinc/88/14/41/1185881441.db2.gz CTAQIAUGKSZXPC-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccco2)C1 ZINC001501638704 1185914354 /nfs/dbraw/zinc/91/43/54/1185914354.db2.gz ZSZLXQLYMFDIGT-UKRRQHHQSA-N 0 3 324.852 3.354 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccccc2)cc1 ZINC001501670822 1185919254 /nfs/dbraw/zinc/91/92/54/1185919254.db2.gz PLWIFAJHGCNSIK-MRXNPFEDSA-N 0 3 306.409 3.291 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](CC)CCC)cc1 ZINC001501681880 1185922145 /nfs/dbraw/zinc/92/21/45/1185922145.db2.gz SKHWHUXGBNPZCC-RDJZCZTQSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2cc3ccccc3o2)CCC1 ZINC001501944856 1185940100 /nfs/dbraw/zinc/94/01/00/1185940100.db2.gz HHSRVJYEACHMSH-UHFFFAOYSA-N 0 3 324.424 3.365 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C2(CC=C)CCCCC2)CC1 ZINC001502147197 1185963196 /nfs/dbraw/zinc/96/31/96/1185963196.db2.gz DNTJCBVCBWHFLH-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCCC=C ZINC001502521354 1185990652 /nfs/dbraw/zinc/99/06/52/1185990652.db2.gz BQAUDNVQTHJXNB-FQEVSTJZSA-N 0 3 324.468 3.299 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(CCC)CCC)C2 ZINC001502546107 1185995203 /nfs/dbraw/zinc/99/52/03/1185995203.db2.gz OMRBHZQISDCNJO-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001502967760 1186031631 /nfs/dbraw/zinc/03/16/31/1186031631.db2.gz JLBAAWZXASGHEA-OCCSQVGLSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCc2cccs2)C[C@H]1C ZINC001503013454 1186034907 /nfs/dbraw/zinc/03/49/07/1186034907.db2.gz GALKNARGFSEDDH-HZPDHXFCSA-N 0 3 318.486 3.063 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001503651388 1186049970 /nfs/dbraw/zinc/04/99/70/1186049970.db2.gz HUUPZECXAYCRJF-VBNZEHGJSA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001505395694 1186065384 /nfs/dbraw/zinc/06/53/84/1186065384.db2.gz USYYXIIPEXMVCI-HNNXBMFYSA-N 0 3 312.885 3.346 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(C)c1 ZINC001505412636 1186070652 /nfs/dbraw/zinc/07/06/52/1186070652.db2.gz HAIMLDTUJRBBMX-WOJBJXKFSA-N 0 3 318.420 3.004 20 30 DGEDHN CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001505430428 1186076590 /nfs/dbraw/zinc/07/65/90/1186076590.db2.gz BMOJNYOLDFEQRX-GOSISDBHSA-N 0 3 312.457 3.159 20 30 DGEDHN CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001505430429 1186077437 /nfs/dbraw/zinc/07/74/37/1186077437.db2.gz BMOJNYOLDFEQRX-SFHVURJKSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CC(CNCc2nc(C)cs2)C1 ZINC001505521542 1186097866 /nfs/dbraw/zinc/09/78/66/1186097866.db2.gz FTHIEMZKDUDICK-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001505615039 1186114105 /nfs/dbraw/zinc/11/41/05/1186114105.db2.gz UFXWNSVQJBURRI-WDEREUQCSA-N 0 3 307.265 3.391 20 30 DGEDHN C=C(C)CCC(=O)N(C)CC(C)(C)CNCc1nc(C)cs1 ZINC001505814169 1186143000 /nfs/dbraw/zinc/14/30/00/1186143000.db2.gz IPNPBTGPOOOYBV-UHFFFAOYSA-N 0 3 323.506 3.382 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001505884734 1186156255 /nfs/dbraw/zinc/15/62/55/1186156255.db2.gz MOJDIXIIEIOZHM-DYVFJYSZSA-N 0 3 304.409 3.216 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C/C=C/c1ccccc1 ZINC001505915953 1186163908 /nfs/dbraw/zinc/16/39/08/1186163908.db2.gz ACBMXGPJPQTHQH-XLNAKTSKSA-N 0 3 312.457 3.186 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1csc2cc(C)ccc21 ZINC001505926726 1186164435 /nfs/dbraw/zinc/16/44/35/1186164435.db2.gz HYJYNUVWGSSDKL-ZDUSSCGKSA-N 0 3 302.443 3.446 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001505995025 1186177963 /nfs/dbraw/zinc/17/79/63/1186177963.db2.gz QCIGJUYEIFGGRY-DNVCBOLYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)CSC)CCCCC1 ZINC001506501939 1186235120 /nfs/dbraw/zinc/23/51/20/1186235120.db2.gz XOIAFGXYJDCYEH-LBPRGKRZSA-N 0 3 318.914 3.147 20 30 DGEDHN Cc1cccc([C@H](C)N2CC([C@H](C)NC(=O)C#CC(C)C)C2)c1 ZINC001506611436 1186262261 /nfs/dbraw/zinc/26/22/61/1186262261.db2.gz MQSZBOFJOGSXGR-IRXDYDNUSA-N 0 3 312.457 3.152 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001506678908 1186273305 /nfs/dbraw/zinc/27/33/05/1186273305.db2.gz WRRPAAFKUFCUSA-OLZOCXBDSA-N 0 3 322.399 3.081 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001506890579 1186305383 /nfs/dbraw/zinc/30/53/83/1186305383.db2.gz UMEQQWFJWVLSRX-JOCQHMNTSA-N 0 3 317.820 3.018 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](C)CCCNCc1ccc(C#N)cc1F ZINC001506919656 1186312523 /nfs/dbraw/zinc/31/25/23/1186312523.db2.gz ZABHHHJZBWKDIN-HIICFIELSA-N 0 3 317.408 3.038 20 30 DGEDHN CCC(=O)N1CCC(N(C)CC#Cc2cccc(Cl)c2)CC1 ZINC001506948819 1186321030 /nfs/dbraw/zinc/32/10/30/1186321030.db2.gz HAXCLZJMMSDWAG-UHFFFAOYSA-N 0 3 318.848 3.024 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001507110870 1186363422 /nfs/dbraw/zinc/36/34/22/1186363422.db2.gz QIMRTXAMIPIIHL-AWEZNQCLSA-N 0 3 319.474 3.303 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1c(Cl)oc2ccccc21 ZINC001507113928 1186364785 /nfs/dbraw/zinc/36/47/85/1186364785.db2.gz QUJSCZFPHKKSNZ-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001507126014 1186366762 /nfs/dbraw/zinc/36/67/62/1186366762.db2.gz KLUCDBAPMHOIJT-IAGOWNOFSA-N 0 3 314.473 3.202 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2ncccc2C)CCC1 ZINC001507121929 1186366920 /nfs/dbraw/zinc/36/69/20/1186366920.db2.gz LXCBYMRHYCPTSK-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001507129314 1186367904 /nfs/dbraw/zinc/36/79/04/1186367904.db2.gz OFQVSTNHQLYXDZ-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001507276977 1186379590 /nfs/dbraw/zinc/37/95/90/1186379590.db2.gz GPTPXPJXYNPULJ-OLZOCXBDSA-N 0 3 317.260 3.078 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)[C@H]1C ZINC001507278218 1186379672 /nfs/dbraw/zinc/37/96/72/1186379672.db2.gz MEJRKJKJYXYEKJ-CRAIPNDOSA-N 0 3 324.424 3.315 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001507282777 1186380274 /nfs/dbraw/zinc/38/02/74/1186380274.db2.gz ZMMPGOUGOHLDHX-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001507322665 1186389910 /nfs/dbraw/zinc/38/99/10/1186389910.db2.gz UEWDDBRDCKUMNX-HOCLYGCPSA-N 0 3 304.459 3.021 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CCC2CCCC2)[C@H]1C ZINC001507365339 1186404262 /nfs/dbraw/zinc/40/42/62/1186404262.db2.gz FKKSSRVXMKTTGJ-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC001507372945 1186407444 /nfs/dbraw/zinc/40/74/44/1186407444.db2.gz MTBVHCZYBIHTAM-FUHWJXTLSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H]1C ZINC001507383369 1186411614 /nfs/dbraw/zinc/41/16/14/1186411614.db2.gz IZQCCECQVZAVET-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC001507447400 1186431166 /nfs/dbraw/zinc/43/11/66/1186431166.db2.gz PLWHWWZYNCDVRE-CQSZACIVSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cnc2ccsc2c1)C(C)C ZINC001507822704 1186446059 /nfs/dbraw/zinc/44/60/59/1186446059.db2.gz JRWANMIRMUIIEM-UHFFFAOYSA-N 0 3 317.458 3.265 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc2ccsc2[nH]1)C(C)C ZINC001507823398 1186448144 /nfs/dbraw/zinc/44/81/44/1186448144.db2.gz RFAYMZVOEHNKCY-UHFFFAOYSA-N 0 3 317.458 3.035 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc2cnccc21)C(C)C ZINC001507863272 1186452327 /nfs/dbraw/zinc/45/23/27/1186452327.db2.gz SLJTUKWVMHEGQF-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001508090752 1186480306 /nfs/dbraw/zinc/48/03/06/1186480306.db2.gz MBMTZUXSXAHJHT-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)C2(N(C)C)CCCC2)c1 ZINC001611413440 1193433065 /nfs/dbraw/zinc/43/30/65/1193433065.db2.gz WRKOTMWETGSABS-UHFFFAOYSA-N 0 3 302.418 3.454 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001514986590 1186740266 /nfs/dbraw/zinc/74/02/66/1186740266.db2.gz KJYXZENXYZIRHJ-MHOHDPQLSA-N 0 3 300.383 3.144 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001517046240 1186799682 /nfs/dbraw/zinc/79/96/82/1186799682.db2.gz LYTCAHNGTRMFRT-NSHDSACASA-N 0 3 316.792 3.256 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1CC(OCc2ccccc2)C1 ZINC001517064060 1186800497 /nfs/dbraw/zinc/80/04/97/1186800497.db2.gz GKEZSNZBZJVYNM-JCYILVPMSA-N 0 3 323.396 3.075 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccc(C)cc1 ZINC001517063944 1186800707 /nfs/dbraw/zinc/80/07/07/1186800707.db2.gz BJLVJOSUABAQDZ-MRXNPFEDSA-N 0 3 311.385 3.247 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cc(Cl)ccc2F)CC1 ZINC001521173544 1187001818 /nfs/dbraw/zinc/00/18/18/1187001818.db2.gz RPJRZSRSYWRSLD-GFCCVEGCSA-N 0 3 322.811 3.002 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2cccc(OC)c2)CC1 ZINC001521305914 1187013042 /nfs/dbraw/zinc/01/30/42/1187013042.db2.gz XQSSNEIAWPHKRI-GOSISDBHSA-N 0 3 316.445 3.085 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC001521374307 1187019234 /nfs/dbraw/zinc/01/92/34/1187019234.db2.gz YRYYLZVTSWJXLL-CYBMUJFWSA-N 0 3 300.324 3.414 20 30 DGEDHN CN(Cc1ccccc1)C[C@H](OC(=O)c1coc(C#N)c1)C1CC1 ZINC001526009653 1187347133 /nfs/dbraw/zinc/34/71/33/1187347133.db2.gz NRPIOBWEVFYALD-SFHVURJKSA-N 0 3 324.380 3.219 20 30 DGEDHN C=C(CC)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001527625899 1187439568 /nfs/dbraw/zinc/43/95/68/1187439568.db2.gz OUXNXMIFUJKCDE-UHFFFAOYSA-N 0 3 304.459 3.183 20 30 DGEDHN C=C(CC(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001528046355 1187465775 /nfs/dbraw/zinc/46/57/75/1187465775.db2.gz LUKLIZBBGYDQFT-MRXNPFEDSA-N 0 3 315.461 3.326 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC001615961891 1193531479 /nfs/dbraw/zinc/53/14/79/1193531479.db2.gz URHKUDJKTSWAAG-UXHICEINSA-N 0 3 321.424 3.168 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001537278800 1188063461 /nfs/dbraw/zinc/06/34/61/1188063461.db2.gz RKCNVNLIWXOJNQ-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001537278798 1188063539 /nfs/dbraw/zinc/06/35/39/1188063539.db2.gz RKCNVNLIWXOJNQ-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN CN(C)[C@H](CNC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 ZINC001538902980 1188168726 /nfs/dbraw/zinc/16/87/26/1188168726.db2.gz KKXFQGHQMJKTCX-RBUKOAKNSA-N 0 3 321.424 3.103 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC001544767147 1188409521 /nfs/dbraw/zinc/40/95/21/1188409521.db2.gz BTCRVSMCSXVZIM-UHFFFAOYSA-N 0 3 324.399 3.011 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)nc1Cl ZINC001617598074 1193575130 /nfs/dbraw/zinc/57/51/30/1193575130.db2.gz RWUQDZRLRSTMLU-UHFFFAOYSA-N 0 3 302.249 3.328 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001565824285 1188979693 /nfs/dbraw/zinc/97/96/93/1188979693.db2.gz GXOAFAVDVPGWLC-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(-n2cccc2)c1 ZINC001556465911 1189002014 /nfs/dbraw/zinc/00/20/14/1189002014.db2.gz BHUWAFMIEYISDZ-UHFFFAOYSA-N 0 3 311.429 3.057 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1c(C)cc(C)cc1C ZINC001556466763 1189003153 /nfs/dbraw/zinc/00/31/53/1189003153.db2.gz LOQRGHLRBDNKJD-UHFFFAOYSA-N 0 3 302.462 3.121 20 30 DGEDHN CCCCCCCCOCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001558349229 1189118999 /nfs/dbraw/zinc/11/89/99/1189118999.db2.gz OGTNWXMWWPQMSB-DLBZAZTESA-N 0 3 310.482 3.059 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001559813648 1189245647 /nfs/dbraw/zinc/24/56/47/1189245647.db2.gz MGTOLVYYMPUFCR-MRXNPFEDSA-N 0 3 321.465 3.403 20 30 DGEDHN C#CC[C@H]1CCN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001560136372 1189283364 /nfs/dbraw/zinc/28/33/64/1189283364.db2.gz REIXDHXCIFQWLW-ZWKOTPCHSA-N 0 3 310.441 3.062 20 30 DGEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)CCCC)CC1 ZINC001568100581 1189461310 /nfs/dbraw/zinc/46/13/10/1189461310.db2.gz AAKUROZPTKUQFG-JOCQHMNTSA-N 0 3 317.271 3.102 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001564859711 1189601743 /nfs/dbraw/zinc/60/17/43/1189601743.db2.gz YFKMWTMATADHMR-MRXNPFEDSA-N 0 3 317.477 3.408 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCCC(C)C)C1 ZINC001565909905 1189703056 /nfs/dbraw/zinc/70/30/56/1189703056.db2.gz ZAOVOFMZOXKBEU-LSDHHAIUSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)CCCC)C2)CC1 ZINC001565921154 1189703864 /nfs/dbraw/zinc/70/38/64/1189703864.db2.gz ARMMQGVPYBWDFZ-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1cccc(F)c1 ZINC001566002426 1189713386 /nfs/dbraw/zinc/71/33/86/1189713386.db2.gz ZZQSOSGGENKIAS-IAGOWNOFSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)[C@H]1C ZINC001566108722 1189735696 /nfs/dbraw/zinc/73/56/96/1189735696.db2.gz JYVKMWHCSUCCIJ-ZACQAIPSSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H]1C ZINC001566111735 1189736665 /nfs/dbraw/zinc/73/66/65/1189736665.db2.gz RSOZTCQUXKAKSS-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)c(OC)c1 ZINC001566121500 1189739828 /nfs/dbraw/zinc/73/98/28/1189739828.db2.gz KQBFSRPDGSOQPT-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cc(C)ccc1F ZINC001566123827 1189740590 /nfs/dbraw/zinc/74/05/90/1189740590.db2.gz XOVYPUSXCOUJBW-KRWDZBQOSA-N 0 3 318.436 3.176 20 30 DGEDHN C=CCCCC(=O)N1CCc2sc(CNCC(C)C)nc2C1 ZINC001566127073 1189741833 /nfs/dbraw/zinc/74/18/33/1189741833.db2.gz LAQNRQJHCWBFIJ-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C1CCN(CCOCC(C)C)CC1 ZINC001566610729 1189821339 /nfs/dbraw/zinc/82/13/39/1189821339.db2.gz LFAFPCJFNJWDTB-UHFFFAOYSA-N 0 3 324.509 3.184 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001566621872 1189829876 /nfs/dbraw/zinc/82/98/76/1189829876.db2.gz GGMJUXUIFHEGOA-WMZOPIPTSA-N 0 3 312.457 3.378 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001566674331 1189853368 /nfs/dbraw/zinc/85/33/68/1189853368.db2.gz MSSRVCKLHMYTGF-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001566675261 1189854883 /nfs/dbraw/zinc/85/48/83/1189854883.db2.gz RJYARKRBBGGCNO-HNNXBMFYSA-N 0 3 321.465 3.320 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001566680045 1189857556 /nfs/dbraw/zinc/85/75/56/1189857556.db2.gz QOAXGLYQHQRQGA-AWEZNQCLSA-N 0 3 321.490 3.345 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001566850819 1189922489 /nfs/dbraw/zinc/92/24/89/1189922489.db2.gz UHPPXUIAIAFUOV-GASCZTMLSA-N 0 3 308.372 3.058 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001566877318 1189934675 /nfs/dbraw/zinc/93/46/75/1189934675.db2.gz VDTGCBGMTCVGNE-VQIMIIECSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001566923254 1189952896 /nfs/dbraw/zinc/95/28/96/1189952896.db2.gz OSTCTBORHPTTLQ-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001566922643 1189953645 /nfs/dbraw/zinc/95/36/45/1189953645.db2.gz BDNRVPDHSCEDSY-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)cc(F)cc2C)C1 ZINC001567197120 1190062887 /nfs/dbraw/zinc/06/28/87/1190062887.db2.gz XFXYPELMOISIBS-QGZVFWFLSA-N 0 3 316.420 3.002 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001567201573 1190066801 /nfs/dbraw/zinc/06/68/01/1190066801.db2.gz CSYPKUSTEICWKA-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001567203443 1190068454 /nfs/dbraw/zinc/06/84/54/1190068454.db2.gz SCXSSANYZUSSIR-INIZCTEOSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001567224347 1190079447 /nfs/dbraw/zinc/07/94/47/1190079447.db2.gz UPSTXEWXXJFEMS-QILLFSRXSA-N 0 3 320.864 3.201 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(Cl)c(C)c1 ZINC001567226692 1190080004 /nfs/dbraw/zinc/08/00/04/1190080004.db2.gz AHRKMALUDAZDTI-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=CCCC(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001567273489 1190106193 /nfs/dbraw/zinc/10/61/93/1190106193.db2.gz GDBZSFSQESTXDC-KRWDZBQOSA-N 0 3 304.409 3.217 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@H]1CCc2c1cccc2Cl ZINC001567279677 1190110400 /nfs/dbraw/zinc/11/04/00/1190110400.db2.gz FKDNBOUGSFEYRD-KRWDZBQOSA-N 0 3 318.848 3.035 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001567294534 1190115173 /nfs/dbraw/zinc/11/51/73/1190115173.db2.gz XZNFSXWTXFVPOY-UHFFFAOYSA-N 0 3 302.418 3.272 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2cc(C)ccc2s1 ZINC001567311917 1190124642 /nfs/dbraw/zinc/12/46/42/1190124642.db2.gz KVAIGPLDKRVVQY-UHFFFAOYSA-N 0 3 302.443 3.447 20 30 DGEDHN CCCCCCCN1CCC[C@@H]1CNC(=O)c1snnc1C ZINC001567358568 1190150908 /nfs/dbraw/zinc/15/09/08/1190150908.db2.gz WEBBAJDSIYFYLU-CQSZACIVSA-N 0 3 324.494 3.011 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001567371489 1190158246 /nfs/dbraw/zinc/15/82/46/1190158246.db2.gz JYOJXRQFCGJHRB-UONOGXRCSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC001567384306 1190164537 /nfs/dbraw/zinc/16/45/37/1190164537.db2.gz XXUDJRWITGTBMI-CYBMUJFWSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001567395142 1190170415 /nfs/dbraw/zinc/17/04/15/1190170415.db2.gz GQFUFXNFJANWAD-HUUCEWRRSA-N 0 3 304.409 3.291 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001567403006 1190172657 /nfs/dbraw/zinc/17/26/57/1190172657.db2.gz LPGMUQWFOPYISB-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN C#CCCCC(=O)NCCN(Cc1c(C)cccc1C)C1CC1 ZINC001567440245 1190195148 /nfs/dbraw/zinc/19/51/48/1190195148.db2.gz WPFKKDZDOXLLPE-UHFFFAOYSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C(C)C)cn1)c1ccccc1 ZINC001567662607 1190241261 /nfs/dbraw/zinc/24/12/61/1190241261.db2.gz IGWVDSWLPXTZOY-LJQANCHMSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC001567663371 1190241992 /nfs/dbraw/zinc/24/19/92/1190241992.db2.gz HYYVGCAYYUUYNW-MRXNPFEDSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1occc1Cl)c1ccccc1 ZINC001567663153 1190242139 /nfs/dbraw/zinc/24/21/39/1190242139.db2.gz NFJFVHQGZOMXBE-OAHLLOKOSA-N 0 3 316.788 3.017 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)c1ccccc1 ZINC001567666342 1190242996 /nfs/dbraw/zinc/24/29/96/1190242996.db2.gz YNRADPBEFJDCKE-XLIONFOSSA-N 0 3 322.452 3.498 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C(C)=C2CCCC2)C1 ZINC001567680403 1190249622 /nfs/dbraw/zinc/24/96/22/1190249622.db2.gz AZGSAAJRRSEMGM-SFHVURJKSA-N 0 3 302.462 3.213 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001567686768 1190253426 /nfs/dbraw/zinc/25/34/26/1190253426.db2.gz QIRWOHLAKQWNSQ-INIZCTEOSA-N 0 3 315.461 3.088 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC#Cc2ccccc2)C1 ZINC001567692707 1190255948 /nfs/dbraw/zinc/25/59/48/1190255948.db2.gz FDRQFRNZMLOWCA-HXUWFJFHSA-N 0 3 324.468 3.317 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001567692640 1190256933 /nfs/dbraw/zinc/25/69/33/1190256933.db2.gz DXSYBIIEEDHSKD-JWXAEQQXSA-N 0 3 316.489 3.168 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001567736999 1190279891 /nfs/dbraw/zinc/27/98/91/1190279891.db2.gz ZPXIDIVERACGFL-KXKDPZRNSA-N 0 3 310.869 3.103 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001567776087 1190296566 /nfs/dbraw/zinc/29/65/66/1190296566.db2.gz MFRMSFCEYCHZFL-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001567837320 1190315811 /nfs/dbraw/zinc/31/58/11/1190315811.db2.gz GSSBTYSKPCVFFX-OAHLLOKOSA-N 0 3 300.446 3.316 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(CCCF)C1)c1ccccc1 ZINC001567901752 1190341431 /nfs/dbraw/zinc/34/14/31/1190341431.db2.gz PCFJJGZNSLXQED-MSOLQXFVSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001567941659 1190367083 /nfs/dbraw/zinc/36/70/83/1190367083.db2.gz FSMTYFBGDHDXEF-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCCCN1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001567945190 1190369556 /nfs/dbraw/zinc/36/95/56/1190369556.db2.gz JOKDUJALPFGZLI-ZDUSSCGKSA-N 0 3 310.438 3.390 20 30 DGEDHN CC[C@@H](C)C(=O)NC[C@@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001567951782 1190372939 /nfs/dbraw/zinc/37/29/39/1190372939.db2.gz RNPGEZYHPKPSQQ-RHSMWYFYSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)C(C)C)NCc1ccc(C#N)s1 ZINC001567961310 1190377860 /nfs/dbraw/zinc/37/78/60/1190377860.db2.gz GMRYZHHQPVAOHE-ZDUSSCGKSA-N 0 3 321.490 3.286 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C1(C)CCCC1 ZINC001568290037 1190474453 /nfs/dbraw/zinc/47/44/53/1190474453.db2.gz FLABZNPRKGEFTG-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN CCCC(=O)N[C@@H](CNCc1ccc(F)c(C#N)c1)CC(C)C ZINC001568324146 1190490340 /nfs/dbraw/zinc/49/03/40/1190490340.db2.gz JIDBYOQFOHVDCU-MRXNPFEDSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccn1 ZINC001568430489 1190517827 /nfs/dbraw/zinc/51/78/27/1190517827.db2.gz WSAJYGFUDZVLPS-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1ccc(C)cc1)C(C)C ZINC001568456236 1190527816 /nfs/dbraw/zinc/52/78/16/1190527816.db2.gz LEYYYKDXKPYCGD-KRWDZBQOSA-N 0 3 322.880 3.411 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001568485364 1190541416 /nfs/dbraw/zinc/54/14/16/1190541416.db2.gz SQRIXFXNFUEVOT-ABHNRTSZSA-N 0 3 306.494 3.252 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001568489031 1190542225 /nfs/dbraw/zinc/54/22/25/1190542225.db2.gz LJXJURNBBGJHJC-NVXWUHKLSA-N 0 3 318.461 3.302 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001568491237 1190543955 /nfs/dbraw/zinc/54/39/55/1190543955.db2.gz LJVBVCGMOCYBTI-UHFFFAOYSA-N 0 3 302.418 3.224 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@@H]3[C@@H](CCN3CCF)C2)CCCCC1 ZINC001568515021 1190556343 /nfs/dbraw/zinc/55/63/43/1190556343.db2.gz FXHQEORIBNHFDW-DLBZAZTESA-N 0 3 322.468 3.405 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@@H]3[C@H](CCN3CCF)C2)CCCCC1 ZINC001568515022 1190556612 /nfs/dbraw/zinc/55/66/12/1190556612.db2.gz FXHQEORIBNHFDW-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(N(C)CCC)cc1 ZINC001568551562 1190564475 /nfs/dbraw/zinc/56/44/75/1190564475.db2.gz JJVYVZVIICNVMW-UHFFFAOYSA-N 0 3 317.477 3.113 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)cc(F)cc1C ZINC001568664390 1190575606 /nfs/dbraw/zinc/57/56/06/1190575606.db2.gz MQRCOWLVPIRTIY-CYBMUJFWSA-N 0 3 312.816 3.293 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(F)ccc(C)c1F ZINC001568674758 1190577018 /nfs/dbraw/zinc/57/70/18/1190577018.db2.gz URCDYVZVVUUHIQ-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](CC)CC(F)(F)F ZINC001568699662 1190579804 /nfs/dbraw/zinc/57/98/04/1190579804.db2.gz TWAAEYFUTISDFG-MNOVXSKESA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C)c2c1CCC2 ZINC001568713026 1190581238 /nfs/dbraw/zinc/58/12/38/1190581238.db2.gz AIDCYYQAXOZJMC-CQSZACIVSA-N 0 3 320.864 3.334 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2cnc(C)o2)CCCC1 ZINC001568716606 1190581702 /nfs/dbraw/zinc/58/17/02/1190581702.db2.gz DQZZXADOQGHLMB-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2cc(C)no2)CCCC1 ZINC001568718252 1190582019 /nfs/dbraw/zinc/58/20/19/1190582019.db2.gz RESMPJNHOIUHJS-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)CC(C)(C)CC ZINC001568745310 1190584799 /nfs/dbraw/zinc/58/47/99/1190584799.db2.gz NZAGEBAJXHEXDU-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN CCC(=CC(=O)NC/C=C/CNCc1cccc(C#N)c1)CC ZINC001568835178 1190593344 /nfs/dbraw/zinc/59/33/44/1190593344.db2.gz UMZGXJAWCCHUBO-AATRIKPKSA-N 0 3 311.429 3.067 20 30 DGEDHN C[C@H](NC/C=C/CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC001568847878 1190594680 /nfs/dbraw/zinc/59/46/80/1190594680.db2.gz AQXDINGKCBESEK-HSWBROFVSA-N 0 3 316.832 3.076 20 30 DGEDHN C#CCNC/C=C/CNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001568929374 1190600928 /nfs/dbraw/zinc/60/09/28/1190600928.db2.gz ZDTIVOMKBQLMRB-BLGFXRMMSA-N 0 3 304.478 3.124 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001569013590 1190608795 /nfs/dbraw/zinc/60/87/95/1190608795.db2.gz SWGRMHPDRKLVCX-CABCVRRESA-N 0 3 306.425 3.331 20 30 DGEDHN Cc1cccc(C)c1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001569020524 1190609562 /nfs/dbraw/zinc/60/95/62/1190609562.db2.gz FCAMYJIZUDTKNH-GOSISDBHSA-N 0 3 320.436 3.063 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001569037996 1190612079 /nfs/dbraw/zinc/61/20/79/1190612079.db2.gz CLTGAHVWBVGKPQ-IKQZUGGXSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cncc(C)c2)CCCC1 ZINC001569100488 1190621457 /nfs/dbraw/zinc/62/14/57/1190621457.db2.gz BCMACBNGYMVGAZ-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1ccc(CC(C)C)cc1 ZINC001569126736 1190632134 /nfs/dbraw/zinc/63/21/34/1190632134.db2.gz LTMJWGROOQQJBJ-MRXNPFEDSA-N 0 3 302.462 3.050 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001569156336 1190646402 /nfs/dbraw/zinc/64/64/02/1190646402.db2.gz XFVRLUAZSICMGA-KGLIPLIRSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCc2ocnc2C)CCCC1 ZINC001569271101 1190659098 /nfs/dbraw/zinc/65/90/98/1190659098.db2.gz ATIOCLBKBBTHND-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001569270506 1190659436 /nfs/dbraw/zinc/65/94/36/1190659436.db2.gz YCGIIOASBQPDGT-AWEZNQCLSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1[C@H](C)c1cc(C)ccc1C ZINC001569355169 1190673999 /nfs/dbraw/zinc/67/39/99/1190673999.db2.gz GIMDHYJZEQMUQM-MSOLQXFVSA-N 0 3 312.457 3.358 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H]1CCN1CCCCC)c1ccccc1 ZINC001569383625 1190687411 /nfs/dbraw/zinc/68/74/11/1190687411.db2.gz UNPPFXQNFNFZNJ-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CC)CC2CCCCC2)CC1 ZINC001569421120 1190695298 /nfs/dbraw/zinc/69/52/98/1190695298.db2.gz MCNKOWJMQMXLAP-KRWDZBQOSA-N 0 3 304.478 3.245 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCCCC)C1 ZINC001569438007 1190698355 /nfs/dbraw/zinc/69/83/55/1190698355.db2.gz HJTNJWUZDQHUFS-QZTJIDSGSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001569437491 1190698674 /nfs/dbraw/zinc/69/86/74/1190698674.db2.gz VJXRMWRWPBHDJW-RTBURBONSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001569474067 1190705097 /nfs/dbraw/zinc/70/50/97/1190705097.db2.gz HXHVIZRUANBCAR-HNNXBMFYSA-N 0 3 318.383 3.220 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001569481538 1190706522 /nfs/dbraw/zinc/70/65/22/1190706522.db2.gz XZRGDTWLURNICS-FQEVSTJZSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN(C(=O)[C@H](C)C(CC)CC)C1CCN(CC=C)CC1 ZINC001569588877 1190720327 /nfs/dbraw/zinc/72/03/27/1190720327.db2.gz RMGSWYAQCOANBO-MRXNPFEDSA-N 0 3 304.478 3.171 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@@H]1CC12CC2)c1ccc2ccccc2c1 ZINC001569597507 1190720811 /nfs/dbraw/zinc/72/08/11/1190720811.db2.gz GQAMAYLPNHTLHN-OALUTQOASA-N 0 3 318.420 3.020 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN([C@@H](C)c2cccc(OC)c2)C1 ZINC001569631638 1190726614 /nfs/dbraw/zinc/72/66/14/1190726614.db2.gz DYEASWHCQBHLRO-KXBFYZLASA-N 0 3 316.445 3.303 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC001569703145 1190743089 /nfs/dbraw/zinc/74/30/89/1190743089.db2.gz LBFGZZXLCIMOLL-QZTJIDSGSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2csc(C3CC3)n2)C1 ZINC001569725576 1190750424 /nfs/dbraw/zinc/75/04/24/1190750424.db2.gz BNTGREBZDCIFPI-QGZVFWFLSA-N 0 3 319.474 3.038 20 30 DGEDHN CCCCC(=O)N1CC[C@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001569804947 1190757067 /nfs/dbraw/zinc/75/70/67/1190757067.db2.gz RCGSJIZYTNKXNV-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001569914575 1190772810 /nfs/dbraw/zinc/77/28/10/1190772810.db2.gz HFMNDGATCLEKAN-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CC(C)(C)C ZINC001569913480 1190773144 /nfs/dbraw/zinc/77/31/44/1190773144.db2.gz RTOXZANHSZRJEY-IXDOHACOSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)C2CC2)cc1 ZINC001570030911 1190785355 /nfs/dbraw/zinc/78/53/55/1190785355.db2.gz DRHJYQPLRVGEDB-HNNXBMFYSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@H](C)CCCCCC)C2)CC1 ZINC001570056294 1190789398 /nfs/dbraw/zinc/78/93/98/1190789398.db2.gz KPEFIJUIBARZOL-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C(C)(F)F)cc2)CCC1 ZINC001570128754 1190802421 /nfs/dbraw/zinc/80/24/21/1190802421.db2.gz DCRIKFXZLFJBAT-UHFFFAOYSA-N 0 3 320.383 3.064 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)nc2C)CC1 ZINC001570170770 1190806298 /nfs/dbraw/zinc/80/62/98/1190806298.db2.gz JRSXMUAKEXPICB-GOSISDBHSA-N 0 3 315.461 3.135 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001570185775 1190811484 /nfs/dbraw/zinc/81/14/84/1190811484.db2.gz RGHLGGPRCAORJM-ROUUACIJSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC=C ZINC001570269016 1190832985 /nfs/dbraw/zinc/83/29/85/1190832985.db2.gz MRJISHYRKAULKV-LJQANCHMSA-N 0 3 312.457 3.462 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)CC(C)C)C2 ZINC001570275219 1190835127 /nfs/dbraw/zinc/83/51/27/1190835127.db2.gz SCUMGSBFSLTAMQ-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CC(C)(F)F)cc2C1 ZINC001570312814 1190838257 /nfs/dbraw/zinc/83/82/57/1190838257.db2.gz KLNUGWGTHMGVEU-UHFFFAOYSA-N 0 3 308.372 3.240 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@](C)(CC)CCC)C(C)(C)C1 ZINC001570397074 1190852635 /nfs/dbraw/zinc/85/26/35/1190852635.db2.gz BEUXCOZQHJKTAM-QFBILLFUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(CC(C)C)CCC2)C[C@@H]1C ZINC001570436626 1190858370 /nfs/dbraw/zinc/85/83/70/1190858370.db2.gz CGEOLCAHERKZJE-DLBZAZTESA-N 0 3 304.478 3.195 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CN(C)C[C@H]1CCCCO1 ZINC001570532654 1190878065 /nfs/dbraw/zinc/87/80/65/1190878065.db2.gz KZMQNEADGIHPOC-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@H](C(=O)NC1CC(CNCC(=C)Cl)C1)c1ccccc1 ZINC001570581414 1190890851 /nfs/dbraw/zinc/89/08/51/1190890851.db2.gz UCGFSRWBSHFCQQ-PREGVCBESA-N 0 3 318.848 3.193 20 30 DGEDHN Cc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)c(Cl)c1 ZINC001570600751 1190897799 /nfs/dbraw/zinc/89/77/99/1190897799.db2.gz CGXXKBNXXGKGFF-KBPBESRZSA-N 0 3 318.848 3.045 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCC(C)(F)F ZINC001570676724 1190915627 /nfs/dbraw/zinc/91/56/27/1190915627.db2.gz FRLIYVHZYQZEPA-UHFFFAOYSA-N 0 3 310.816 3.249 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@H]2C(C)C)CCCCC1 ZINC001570804858 1190952038 /nfs/dbraw/zinc/95/20/38/1190952038.db2.gz ZLBVEBATMCBVGF-HUUCEWRRSA-N 0 3 312.885 3.440 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H](F)CC ZINC001570812686 1190954216 /nfs/dbraw/zinc/95/42/16/1190954216.db2.gz VGKFHTURBLRRJS-QZTJIDSGSA-N 0 3 318.436 3.051 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001570822898 1190959013 /nfs/dbraw/zinc/95/90/13/1190959013.db2.gz NOFCPSQJRDLRSZ-AEFFLSMTSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(=O)C(C)(C)C)C(C)(C)C1 ZINC001570891374 1190970919 /nfs/dbraw/zinc/97/09/19/1190970919.db2.gz QBBRVNUOHWFUMS-OAHLLOKOSA-N 0 3 322.493 3.175 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C)OCC ZINC001570896448 1190971959 /nfs/dbraw/zinc/97/19/59/1190971959.db2.gz CQNJKAUZDSDMAM-DLBZAZTESA-N 0 3 322.493 3.151 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001571148670 1190983919 /nfs/dbraw/zinc/98/39/19/1190983919.db2.gz XNPSOJQXYBJTGS-RBSFLKMASA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571289127 1190989901 /nfs/dbraw/zinc/98/99/01/1190989901.db2.gz ZGMJNNHPHFFTAY-FXUDXRNXSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CC[NH2+]CCC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001571346567 1190997422 /nfs/dbraw/zinc/99/74/22/1190997422.db2.gz ZTUPOLYFIDXSCF-SFHVURJKSA-N 0 3 324.424 3.419 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1 ZINC001571388883 1191010656 /nfs/dbraw/zinc/01/06/56/1191010656.db2.gz ACJMIHLXMCUKOU-CYBMUJFWSA-N 0 3 309.841 3.028 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001571388933 1191010814 /nfs/dbraw/zinc/01/08/14/1191010814.db2.gz BCDJGOJUWMJMAK-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001571411556 1191018323 /nfs/dbraw/zinc/01/83/23/1191018323.db2.gz GHBOIKOVFCGLLS-KGLIPLIRSA-N 0 3 321.490 3.383 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C(C)(C)C)s1 ZINC001571417988 1191020693 /nfs/dbraw/zinc/02/06/93/1191020693.db2.gz NWKYCKZPZNKNCT-ZDUSSCGKSA-N 0 3 306.475 3.119 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CC(C)C)s2)C1 ZINC001571479854 1191027824 /nfs/dbraw/zinc/02/78/24/1191027824.db2.gz XKNPNLYHCJANJS-CABCVRRESA-N 0 3 318.486 3.163 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CC(C)C)s2)C1 ZINC001571479855 1191027993 /nfs/dbraw/zinc/02/79/93/1191027993.db2.gz XKNPNLYHCJANJS-GJZGRUSLSA-N 0 3 318.486 3.163 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC3CCCC3)CCC[C@H]12 ZINC001571504615 1191035316 /nfs/dbraw/zinc/03/53/16/1191035316.db2.gz GONDRKSEKAGMSU-PKOBYXMFSA-N 0 3 302.462 3.093 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC001571514465 1191037528 /nfs/dbraw/zinc/03/75/28/1191037528.db2.gz GKMVWAXJGJIHKH-FUHWJXTLSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CC2(c3ccccc3)CC2)[C@@H]1C ZINC001571518453 1191040303 /nfs/dbraw/zinc/04/03/03/1191040303.db2.gz FSNVEISVNWKBQJ-FUHWJXTLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCOCC(C)C)[C@H]1C ZINC001571518908 1191040856 /nfs/dbraw/zinc/04/08/56/1191040856.db2.gz LKYRBVKDKZCRQR-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN CC(C)N(CCN(C)[C@H](C)c1ccc(F)cc1)C(=O)[C@H](C)C#N ZINC001571610120 1191057182 /nfs/dbraw/zinc/05/71/82/1191057182.db2.gz GWFQPMXUGCVSDR-HUUCEWRRSA-N 0 3 319.424 3.215 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc2occc2s1)C(C)C ZINC001571614742 1191061961 /nfs/dbraw/zinc/06/19/61/1191061961.db2.gz SATZRCAUDIFXOY-UHFFFAOYSA-N 0 3 318.442 3.300 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)c1c(C)noc1C)C(C)C ZINC001571615536 1191062323 /nfs/dbraw/zinc/06/23/23/1191062323.db2.gz VMQDHXLTFADJDE-CQSZACIVSA-N 0 3 321.465 3.140 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1coc2ccccc12)C(C)C ZINC001571615638 1191062615 /nfs/dbraw/zinc/06/26/15/1191062615.db2.gz YMXRXERGJKIFNC-UHFFFAOYSA-N 0 3 314.429 3.330 20 30 DGEDHN C#CCCCC(=O)N[C@H](CNCc1ccccc1F)C(C)(C)C ZINC001571622840 1191066805 /nfs/dbraw/zinc/06/68/05/1191066805.db2.gz FKLSHWKEDFRLLJ-QGZVFWFLSA-N 0 3 318.436 3.250 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccc(C)s2)c(F)c1 ZINC001571701441 1191085824 /nfs/dbraw/zinc/08/58/24/1191085824.db2.gz JOKIAGZNVCHTAS-UHFFFAOYSA-N 0 3 318.417 3.401 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccoc2Cl)c(F)c1 ZINC001571702408 1191086339 /nfs/dbraw/zinc/08/63/39/1191086339.db2.gz SUUIZXPGHOKUOA-UHFFFAOYSA-N 0 3 322.767 3.278 20 30 DGEDHN C=C(C)[C@H](NC(=O)[C@@H](N)CC(=C)Cl)c1ccc(F)c(F)c1 ZINC001574852159 1191453634 /nfs/dbraw/zinc/45/36/34/1191453634.db2.gz QGWQLXJQLIRWNV-KBPBESRZSA-N 0 3 314.763 3.168 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC001574852650 1191454076 /nfs/dbraw/zinc/45/40/76/1191454076.db2.gz XSCOJKUJXIMZBJ-GXTWGEPZSA-N 0 3 308.809 3.193 20 30 DGEDHN C=CC[C@H](C(=O)Nc1ccnc([C@H]2CCCN2)n1)c1ccccc1 ZINC001574889979 1191455982 /nfs/dbraw/zinc/45/59/82/1191455982.db2.gz VNDICVKYOHHVMH-JKSUJKDBSA-N 0 3 322.412 3.200 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC001574908455 1191458107 /nfs/dbraw/zinc/45/81/07/1191458107.db2.gz OOJKCECGFAUMDK-DLBZAZTESA-N 0 3 302.418 3.069 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC001574903017 1191458117 /nfs/dbraw/zinc/45/81/17/1191458117.db2.gz JUBNSLHRWCYVKC-KCXAZCMYSA-N 0 3 324.852 3.216 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001574903913 1191458245 /nfs/dbraw/zinc/45/82/45/1191458245.db2.gz XTPYEDXMJNCZBE-BZSNNMDCSA-N 0 3 300.446 3.198 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001574901856 1191458295 /nfs/dbraw/zinc/45/82/95/1191458295.db2.gz VIZYYUOZJUKAET-INIZCTEOSA-N 0 3 315.417 3.131 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001574961930 1191459850 /nfs/dbraw/zinc/45/98/50/1191459850.db2.gz BKFLLWXPPXSCHI-CABCVRRESA-N 0 3 324.346 3.110 20 30 DGEDHN CC#CC[C@@H](N)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001574971367 1191461327 /nfs/dbraw/zinc/46/13/27/1191461327.db2.gz CSZIIQGSTQUHQR-LJQANCHMSA-N 0 3 312.457 3.134 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001574962682 1191461331 /nfs/dbraw/zinc/46/13/31/1191461331.db2.gz OAODOWZXZJHVKD-IFXJQAMLSA-N 0 3 324.399 3.411 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001574973097 1191462019 /nfs/dbraw/zinc/46/20/19/1191462019.db2.gz SEDGFWWJKJABLF-UAGQMJEPSA-N 0 3 318.848 3.223 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)CCc1ccccc1F ZINC001618813628 1193752820 /nfs/dbraw/zinc/75/28/20/1193752820.db2.gz KHXOTHMIMXRMPU-MRXNPFEDSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1CCc2ccccc21 ZINC001618813888 1193753055 /nfs/dbraw/zinc/75/30/55/1193753055.db2.gz NGJUKMCAPATFFU-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN CCC[C@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001620057487 1193763398 /nfs/dbraw/zinc/76/33/98/1193763398.db2.gz PGUQUBZKWKSFHN-HNNXBMFYSA-N 0 3 323.444 3.259 20 30 DGEDHN CCCCC[C@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC001620441456 1193767969 /nfs/dbraw/zinc/76/79/69/1193767969.db2.gz OOJXQSDCECPZEU-SJORKVTESA-N 0 3 307.482 3.429 20 30 DGEDHN CCCCC[C@@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC001620441453 1193768544 /nfs/dbraw/zinc/76/85/44/1193768544.db2.gz OOJXQSDCECPZEU-DLBZAZTESA-N 0 3 307.482 3.429 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](CC)C(=O)OC(C)(C)C ZINC001621076677 1193799000 /nfs/dbraw/zinc/79/90/00/1193799000.db2.gz FJYRKSZREZEKSW-HNNXBMFYSA-N 0 3 317.429 3.156 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](CC)C(=O)OC(C)(C)C ZINC001621076678 1193799215 /nfs/dbraw/zinc/79/92/15/1193799215.db2.gz FJYRKSZREZEKSW-OAHLLOKOSA-N 0 3 317.429 3.156 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCN(C2CCC2)CC1 ZINC001621178811 1193813179 /nfs/dbraw/zinc/81/31/79/1193813179.db2.gz UOXHREMHSMZFBZ-UHFFFAOYSA-N 0 3 318.848 3.022 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1 ZINC001623745495 1193954621 /nfs/dbraw/zinc/95/46/21/1193954621.db2.gz GCJZXZVBXWKVQC-SFHVURJKSA-N 0 3 307.397 3.384 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001624643572 1194006994 /nfs/dbraw/zinc/00/69/94/1194006994.db2.gz FGSQGRYCBGNIEU-AEFFLSMTSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CSc1ccc(C)cc1C ZINC001626745221 1194093410 /nfs/dbraw/zinc/09/34/10/1194093410.db2.gz UTULKWXFJDDGAA-UHFFFAOYSA-N 0 3 320.502 3.362 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)cc1 ZINC001628827482 1194199056 /nfs/dbraw/zinc/19/90/56/1194199056.db2.gz LDYKPWKDWJWNMS-HXUWFJFHSA-N 0 3 320.436 3.263 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001635035970 1194529646 /nfs/dbraw/zinc/52/96/46/1194529646.db2.gz LPYHRORFMGEVLT-BPQIPLTHSA-N 0 3 319.493 3.437 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC/C=C/c1ccccc1 ZINC001635757552 1194570079 /nfs/dbraw/zinc/57/00/79/1194570079.db2.gz BSKFVIATUNSSJS-UKTHLTGXSA-N 0 3 300.446 3.446 20 30 DGEDHN CCCN(C)[C@@H](CNC(=O)C#CC(C)C)c1ccc(Cl)cc1 ZINC001636232718 1194601918 /nfs/dbraw/zinc/60/19/18/1194601918.db2.gz PXOOKFJXBHPTKK-KRWDZBQOSA-N 0 3 320.864 3.499 20 30 DGEDHN C=CCC1(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCCC1 ZINC001636878135 1194638646 /nfs/dbraw/zinc/63/86/46/1194638646.db2.gz JHWDOVAUQBPWAP-HNNXBMFYSA-N 0 3 307.482 3.437 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cc(C#N)ccn1 ZINC001642293821 1194899907 /nfs/dbraw/zinc/89/99/07/1194899907.db2.gz JSJIFGAMNWMTBP-DLBZAZTESA-N 0 3 320.440 3.048 20 30 DGEDHN C[C@H]1[C@@H](C)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC001643487511 1195028304 /nfs/dbraw/zinc/02/83/04/1195028304.db2.gz XBEFOWNAVWCVJE-IJLUTSLNSA-N 0 3 305.809 3.126 20 30 DGEDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C1CCCC1 ZINC001644595630 1195119879 /nfs/dbraw/zinc/11/98/79/1195119879.db2.gz SEIWKQIBGMEKOG-SIFUEBAJSA-N 0 3 323.440 3.047 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC001644823879 1195136565 /nfs/dbraw/zinc/13/65/65/1195136565.db2.gz WXPMROCTTIVDDU-OAHLLOKOSA-N 0 3 314.429 3.148 20 30 DGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1ccccc1Cl ZINC001645645831 1195196637 /nfs/dbraw/zinc/19/66/37/1195196637.db2.gz BDNBAXIDZJVPMW-WBVHZDCISA-N 0 3 319.832 3.403 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nc(C)cs2)C[C@H]1C ZINC001671230021 1195237978 /nfs/dbraw/zinc/23/79/78/1195237978.db2.gz BPVKPNUWRBMLBR-CABCVRRESA-N 0 3 321.490 3.277 20 30 DGEDHN C[C@H]1CN(CCCOc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC001646783898 1195238096 /nfs/dbraw/zinc/23/80/96/1195238096.db2.gz VQLVXDHSWXBCTN-INIZCTEOSA-N 0 3 314.429 3.361 20 30 DGEDHN C=C[C@H](CO)NCc1ccc(OCc2ccccc2F)cc1 ZINC001647838928 1195258590 /nfs/dbraw/zinc/25/85/90/1195258590.db2.gz ZGHAOLGSVZYZLR-MRXNPFEDSA-N 0 3 301.361 3.041 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)[C@H]1c1ccccc1 ZINC001648280004 1195288669 /nfs/dbraw/zinc/28/86/69/1195288669.db2.gz DDGLVFOBDMDTCW-GJYPPUQNSA-N 0 3 313.445 3.078 20 30 DGEDHN C=CCCCN(CC)CC(=O)N(Cc1ccccc1)C1CC1 ZINC001648544152 1195308727 /nfs/dbraw/zinc/30/87/27/1195308727.db2.gz JCRSZMWPTZEKKR-UHFFFAOYSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCC=C(Cl)Cl)[C@@H](C)C1 ZINC001649461724 1195345003 /nfs/dbraw/zinc/34/50/03/1195345003.db2.gz GOTIVWDBJSJVOQ-RYUDHWBXSA-N 0 3 305.249 3.098 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2cnccc2o1 ZINC001649468839 1195347209 /nfs/dbraw/zinc/34/72/09/1195347209.db2.gz BSWGANGHRSPWBZ-GFCCVEGCSA-N 0 3 321.808 3.068 20 30 DGEDHN C=CCCCCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001652479654 1195603569 /nfs/dbraw/zinc/60/35/69/1195603569.db2.gz CCYPJRKFUFWCRH-GOSISDBHSA-N 0 3 322.880 3.347 20 30 DGEDHN N#Cc1ccnc(CN(Cc2ccccc2)CC2CCOCC2)c1 ZINC001652490125 1195605093 /nfs/dbraw/zinc/60/50/93/1195605093.db2.gz RAMMVSILDDXJRX-UHFFFAOYSA-N 0 3 321.424 3.382 20 30 DGEDHN C[C@](CO)(Cc1ccc(Cl)cc1)NCC#Cc1ccccc1 ZINC001652990058 1195678030 /nfs/dbraw/zinc/67/80/30/1195678030.db2.gz ZAJXECMFSAPRFQ-LJQANCHMSA-N 0 3 313.828 3.275 20 30 DGEDHN C#CCN(C[C@H](C)Cc1ccc(OC)c(F)c1)C1CSC1 ZINC001652989912 1195678109 /nfs/dbraw/zinc/67/81/09/1195678109.db2.gz WNOZTUFIMVVDGH-CYBMUJFWSA-N 0 3 307.434 3.064 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC001653334468 1195712215 /nfs/dbraw/zinc/71/22/15/1195712215.db2.gz SHDUYSUUQNPECQ-PMACEKPBSA-N 0 3 322.408 3.055 20 30 DGEDHN C#CCCOC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001653725564 1195746718 /nfs/dbraw/zinc/74/67/18/1195746718.db2.gz JMLZXIQRTILYJX-AEFFLSMTSA-N 0 3 314.429 3.304 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC001654174932 1195781276 /nfs/dbraw/zinc/78/12/76/1195781276.db2.gz SZSRZIIDUFAIQS-QGZVFWFLSA-N 0 3 312.457 3.123 20 30 DGEDHN C=CCC[C@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001654997505 1195863074 /nfs/dbraw/zinc/86/30/74/1195863074.db2.gz VUDNOWOUDUGDQC-DOTOQJQBSA-N 0 3 314.429 3.057 20 30 DGEDHN CCc1ccc2c(c1)CN(C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC001655153479 1195883794 /nfs/dbraw/zinc/88/37/94/1195883794.db2.gz WCPWNJANSFPUKJ-HXUWFJFHSA-N 0 3 306.409 3.212 20 30 DGEDHN CCCN(CCN1CCCCC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC001655468037 1195921548 /nfs/dbraw/zinc/92/15/48/1195921548.db2.gz YHCCYOPHZHKLHP-UHFFFAOYSA-N 0 3 316.405 3.169 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)OCc1ccc(Cl)cc1 ZINC001655958243 1195982582 /nfs/dbraw/zinc/98/25/82/1195982582.db2.gz GUDAVGPFWMCCRF-UHFFFAOYSA-N 0 3 310.825 3.416 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001656077896 1195994991 /nfs/dbraw/zinc/99/49/91/1195994991.db2.gz PTQPGHYKKHYJNB-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001656153752 1196010512 /nfs/dbraw/zinc/01/05/12/1196010512.db2.gz KVEVJXVVVYPWJA-AKAXFMLLSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001656153858 1196010974 /nfs/dbraw/zinc/01/09/74/1196010974.db2.gz ODOGCWUUERDWEF-GASCZTMLSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@]2(C)CCC[C@@H]2CC)C1 ZINC001656207048 1196017207 /nfs/dbraw/zinc/01/72/07/1196017207.db2.gz METRKOWLFSRQCE-QBYUYEEZSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001656264956 1196025068 /nfs/dbraw/zinc/02/50/68/1196025068.db2.gz FEQMWDOBSIABTQ-HRCADAONSA-N 0 3 316.445 3.235 20 30 DGEDHN C#CCOc1ccccc1CNC[C@](C)(OC)c1ccccc1 ZINC001656280073 1196026644 /nfs/dbraw/zinc/02/66/44/1196026644.db2.gz MIKSBPAZPLBTEA-FQEVSTJZSA-N 0 3 309.409 3.350 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001656354111 1196032165 /nfs/dbraw/zinc/03/21/65/1196032165.db2.gz QJYAXFVVSOAEMG-AEGPPILISA-N 0 3 324.852 3.085 20 30 DGEDHN C#CC1(NCc2cc(OC)c(OC)cc2SC)CCCC1 ZINC001656844828 1196075039 /nfs/dbraw/zinc/07/50/39/1196075039.db2.gz NRMBZQZPKLIGFG-UHFFFAOYSA-N 0 3 305.443 3.461 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2oc(=O)[nH]c2c1 ZINC001656914401 1196082951 /nfs/dbraw/zinc/08/29/51/1196082951.db2.gz IOPRXBFHDCIXPG-UHFFFAOYSA-N 0 3 307.353 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)[C@H]1C ZINC001657047561 1196096134 /nfs/dbraw/zinc/09/61/34/1196096134.db2.gz FRULSXIVYHZFPI-RKVPGOIHSA-N 0 3 318.436 3.159 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@](C)(CC)CCC)CC(C)(C)C1 ZINC001657105880 1196107136 /nfs/dbraw/zinc/10/71/36/1196107136.db2.gz FWLFQSWWQFNHHK-APWZRJJASA-N 0 3 306.494 3.443 20 30 DGEDHN N#CCc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC001657587247 1196157662 /nfs/dbraw/zinc/15/76/62/1196157662.db2.gz GUHHWUMBOJGULU-UHFFFAOYSA-N 0 3 308.410 3.494 20 30 DGEDHN Cc1ccc(C2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)cn1 ZINC001657899172 1196191670 /nfs/dbraw/zinc/19/16/70/1196191670.db2.gz BZNAMVIWWKWAPW-FQEVSTJZSA-N 0 3 321.424 3.175 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)ccnc1Cl ZINC001657938956 1196195803 /nfs/dbraw/zinc/19/58/03/1196195803.db2.gz PNJADAUXMYRDFK-GWCFXTLKSA-N 0 3 301.217 3.459 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001657990235 1196200049 /nfs/dbraw/zinc/20/00/49/1196200049.db2.gz WCAAOJODCWZORY-UHFFFAOYSA-N 0 3 310.353 3.205 20 30 DGEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc(Br)cc1 ZINC001658042727 1196207106 /nfs/dbraw/zinc/20/71/06/1196207106.db2.gz JPAVFEQYVOYCBZ-CQSZACIVSA-N 0 3 318.218 3.341 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(NCC#Cc2ccccc2)C1 ZINC001658602452 1196278305 /nfs/dbraw/zinc/27/83/05/1196278305.db2.gz HGGGWMIDCXDFNY-LJQANCHMSA-N 0 3 314.429 3.027 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001658720028 1196292200 /nfs/dbraw/zinc/29/22/00/1196292200.db2.gz DSYPRAWVHDDMPW-FQEVSTJZSA-N 0 3 314.473 3.034 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc(C)n1 ZINC001658945153 1196323575 /nfs/dbraw/zinc/32/35/75/1196323575.db2.gz HMDHLXZKIGOJCU-GOSISDBHSA-N 0 3 321.428 3.042 20 30 DGEDHN Cc1ccc([C@@H](C)CN2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC001659963641 1196432742 /nfs/dbraw/zinc/43/27/42/1196432742.db2.gz KKLXURHXLCIZLY-KRWDZBQOSA-N 0 3 320.440 3.187 20 30 DGEDHN CCCCC(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001660490594 1196489778 /nfs/dbraw/zinc/48/97/78/1196489778.db2.gz WQEGQPGAGKTGNM-UHFFFAOYSA-N 0 3 300.446 3.057 20 30 DGEDHN Cc1ccc(CN2CC[C@H](NCc3cccc(F)c3C#N)C2)cc1 ZINC001660544825 1196496199 /nfs/dbraw/zinc/49/61/99/1196496199.db2.gz HNADZVYZBAEDIV-SFHVURJKSA-N 0 3 323.415 3.370 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001660810562 1196528726 /nfs/dbraw/zinc/52/87/26/1196528726.db2.gz YXTZDLZMAWITPC-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC001660822398 1196529951 /nfs/dbraw/zinc/52/99/51/1196529951.db2.gz IBRZTLGFNPOCAZ-HKUYNNGSSA-N 0 3 324.468 3.304 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CCC2CCCCCC2)C1 ZINC001660833432 1196531153 /nfs/dbraw/zinc/53/11/53/1196531153.db2.gz MFRMSFCEYCHZFL-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001661019632 1196554521 /nfs/dbraw/zinc/55/45/21/1196554521.db2.gz BYHYJFBUZXZFFC-FUHWJXTLSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001661024678 1196555183 /nfs/dbraw/zinc/55/51/83/1196555183.db2.gz WOYKYYIRARJMDG-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](NCc1cc2ccccc2o1)C1CC1 ZINC001661122443 1196570444 /nfs/dbraw/zinc/57/04/44/1196570444.db2.gz PKBRAQJBHJLDCA-GOSISDBHSA-N 0 3 324.424 3.221 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001661459992 1196607763 /nfs/dbraw/zinc/60/77/63/1196607763.db2.gz MCKFGVRBSSXEFX-MRVWCRGKSA-N 0 3 322.399 3.475 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001661547827 1196617556 /nfs/dbraw/zinc/61/75/56/1196617556.db2.gz FKUCIXKZAYMCHV-QZKWLWDQSA-N 0 3 322.880 3.245 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2ccccc2C)C1 ZINC001662878354 1196766472 /nfs/dbraw/zinc/76/64/72/1196766472.db2.gz MEURCDUKGWUJBU-QZTJIDSGSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@@H](N(C)CC#CC)C1)c1ccccc1 ZINC001662878871 1196766611 /nfs/dbraw/zinc/76/66/11/1196766611.db2.gz XHFYURLYZPENIV-UXHICEINSA-N 0 3 324.468 3.292 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001662878356 1196767055 /nfs/dbraw/zinc/76/70/55/1196767055.db2.gz MEURCDUKGWUJBU-ZWKOTPCHSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cc2ccccc2o1 ZINC001662953846 1196775638 /nfs/dbraw/zinc/77/56/38/1196775638.db2.gz FNKIUKQWENYFDE-ZDUSSCGKSA-N 0 3 320.820 3.212 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc3c(c2)ncn3C)c1 ZINC001663286752 1196826487 /nfs/dbraw/zinc/82/64/87/1196826487.db2.gz DFHFDQSUYSHFIV-UHFFFAOYSA-N 0 3 307.397 3.428 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC001663488475 1196884965 /nfs/dbraw/zinc/88/49/65/1196884965.db2.gz YGESGEQZMOGMPJ-KRWDZBQOSA-N 0 3 324.424 3.317 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001663518646 1196893782 /nfs/dbraw/zinc/89/37/82/1196893782.db2.gz JGPAMEKNGXUEDI-SQSZOCELSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001663532457 1196897506 /nfs/dbraw/zinc/89/75/06/1196897506.db2.gz JXCOQPMHMBRCKZ-RBUKOAKNSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1cccc2ccccc21 ZINC001663541789 1196901062 /nfs/dbraw/zinc/90/10/62/1196901062.db2.gz DBOCLPOCMSABJJ-GOSISDBHSA-N 0 3 308.425 3.149 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cccc2ccccc21 ZINC001663541790 1196901096 /nfs/dbraw/zinc/90/10/96/1196901096.db2.gz DBOCLPOCMSABJJ-SFHVURJKSA-N 0 3 308.425 3.149 20 30 DGEDHN C=CCN(CCNC(=O)[C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC001663740183 1196936802 /nfs/dbraw/zinc/93/68/02/1196936802.db2.gz ZSTZOVYGXJKXPG-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(F)c(Cl)c1)C1CC1 ZINC001663749612 1196939338 /nfs/dbraw/zinc/93/93/38/1196939338.db2.gz PVDUPXNMUWOQIX-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1scnc1C)C(C)C ZINC001664530658 1197010554 /nfs/dbraw/zinc/01/05/54/1197010554.db2.gz PECROCWPPWNUST-UHFFFAOYSA-N 0 3 323.506 3.380 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)C(C)(F)F)c1ccccc1 ZINC001664592346 1197019082 /nfs/dbraw/zinc/01/90/82/1197019082.db2.gz IQPPMCQXAJHZGC-UKRRQHHQSA-N 0 3 310.388 3.301 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccc(C)cc1 ZINC001664616509 1197021728 /nfs/dbraw/zinc/02/17/28/1197021728.db2.gz KRQVAZHNKKIZKH-BGYRXZFFSA-N 0 3 324.468 3.016 20 30 DGEDHN C#C[C@@H](C)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001664664683 1197030255 /nfs/dbraw/zinc/03/02/55/1197030255.db2.gz VYKJLAKAQFOAND-GFCCVEGCSA-N 0 3 311.335 3.391 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cc(OC)cs2)C1 ZINC001664677698 1197031917 /nfs/dbraw/zinc/03/19/17/1197031917.db2.gz FONUUPSXZMCJPJ-AWEZNQCLSA-N 0 3 322.474 3.259 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001664836540 1197067348 /nfs/dbraw/zinc/06/73/48/1197067348.db2.gz WBRUNASNYRFHGQ-ZFWWWQNUSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCCCC(=O)N1CCC(CN(C)Cc2cncs2)CC1 ZINC001664884629 1197076550 /nfs/dbraw/zinc/07/65/50/1197076550.db2.gz SNPIENPXLCMYNK-UHFFFAOYSA-N 0 3 321.490 3.170 20 30 DGEDHN C[C@]1(NCc2cccc(F)c2C#N)CCN(Cc2ccccc2)C1 ZINC001665136375 1197100913 /nfs/dbraw/zinc/10/09/13/1197100913.db2.gz MPAYJZXOAXHCEJ-FQEVSTJZSA-N 0 3 323.415 3.452 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001665284489 1197118604 /nfs/dbraw/zinc/11/86/04/1197118604.db2.gz ZHJMOOBFUKATFR-HNNXBMFYSA-N 0 3 300.446 3.398 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(Cc3ccc(C)cc3C)C2)C1 ZINC001665328702 1197123853 /nfs/dbraw/zinc/12/38/53/1197123853.db2.gz RGHXISHVFLJELM-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCN(C)CCC(F)(F)F)C1 ZINC001673466937 1197152083 /nfs/dbraw/zinc/15/20/83/1197152083.db2.gz LGUZQNFDGHZGGV-UHFFFAOYSA-N 0 3 306.372 3.075 20 30 DGEDHN N#Cc1ccc(CNCc2c[nH]c(=O)c3ccccc23)cc1F ZINC001665693565 1197172696 /nfs/dbraw/zinc/17/26/96/1197172696.db2.gz BLNVOGLNFRORRO-UHFFFAOYSA-N 0 3 307.328 3.241 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696689 1197174616 /nfs/dbraw/zinc/17/46/16/1197174616.db2.gz CFFPFNOGMVKOHR-JKSUJKDBSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696689 1197174618 /nfs/dbraw/zinc/17/46/18/1197174618.db2.gz CFFPFNOGMVKOHR-JKSUJKDBSA-N 0 3 316.445 3.283 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001665732260 1197182626 /nfs/dbraw/zinc/18/26/26/1197182626.db2.gz RFLRLKHCISTUEO-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN CC[C@H](CNC(=O)C=C(C)C)NCC#Cc1ccc(Cl)cc1 ZINC001665754537 1197188133 /nfs/dbraw/zinc/18/81/33/1197188133.db2.gz NXNGLPOZEYHHLK-QGZVFWFLSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001665794190 1197198455 /nfs/dbraw/zinc/19/84/55/1197198455.db2.gz UMTPKEYTKQDROR-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2ncccc2C)CCCC1 ZINC001665944769 1197219726 /nfs/dbraw/zinc/21/97/26/1197219726.db2.gz VSBIKNFXDICOFJ-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CCCC1 ZINC001665957042 1197221163 /nfs/dbraw/zinc/22/11/63/1197221163.db2.gz ULBXLYTWDBEWEO-HOCLYGCPSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)c1ccccc1)C1CC1 ZINC001666031537 1197229115 /nfs/dbraw/zinc/22/91/15/1197229115.db2.gz CHUODBGSSGGORA-KSSFIOAISA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cc[nH]c2C)CCCC[C@@H]1C ZINC001666049076 1197231007 /nfs/dbraw/zinc/23/10/07/1197231007.db2.gz JFISTOOKKBWSKR-SJCJKPOMSA-N 0 3 323.868 3.344 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2cnoc2C)CCCC[C@@H]1C ZINC001666048187 1197231192 /nfs/dbraw/zinc/23/11/92/1197231192.db2.gz CQHYDIHFAAYWEM-KSSFIOAISA-N 0 3 319.449 3.104 20 30 DGEDHN CCCC(=O)N1CCC(CCNCc2ccccc2C#N)CC1 ZINC001666182278 1197242290 /nfs/dbraw/zinc/24/22/90/1197242290.db2.gz UJGBLVMVBGYZCT-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC001666306500 1197250672 /nfs/dbraw/zinc/25/06/72/1197250672.db2.gz NWWGEBYWJHWWGR-IIDMSEBBSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)[C@@H](C)CC)cc1 ZINC001666344711 1197253598 /nfs/dbraw/zinc/25/35/98/1197253598.db2.gz MYJYAFPGYPWADD-HOTGVXAUSA-N 0 3 300.446 3.098 20 30 DGEDHN CCCC(=O)N1CCC[C@@H]1CNCC#Cc1cccc(Cl)c1 ZINC001666393739 1197258736 /nfs/dbraw/zinc/25/87/36/1197258736.db2.gz GEWVWYLDLKPJOH-QGZVFWFLSA-N 0 3 318.848 3.072 20 30 DGEDHN CCCCC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001666743802 1197281876 /nfs/dbraw/zinc/28/18/76/1197281876.db2.gz VOOOBKWJMSNEPU-UHFFFAOYSA-N 0 3 312.457 3.247 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2c(C)noc2C)CCCC1 ZINC001666781819 1197285281 /nfs/dbraw/zinc/28/52/81/1197285281.db2.gz CARRELLASXNBGT-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001666913967 1197297880 /nfs/dbraw/zinc/29/78/80/1197297880.db2.gz NFEMFYVDMGLFMA-INIZCTEOSA-N 0 3 317.477 3.498 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2cc(F)cc(F)c2)C1 ZINC001666987251 1197306056 /nfs/dbraw/zinc/30/60/56/1197306056.db2.gz GVIKXIPAVZYGSH-CYBMUJFWSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](CNCCF)C2CCCCC2)CCC1 ZINC001667144761 1197324111 /nfs/dbraw/zinc/32/41/11/1197324111.db2.gz SFYREBHQHUTTQX-INIZCTEOSA-N 0 3 310.457 3.357 20 30 DGEDHN C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001667566921 1197362634 /nfs/dbraw/zinc/36/26/34/1197362634.db2.gz VTVKCTPJVNYIOK-OAHLLOKOSA-N 0 3 318.436 3.326 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C2CCCC2)cc1 ZINC001667600678 1197367258 /nfs/dbraw/zinc/36/72/58/1197367258.db2.gz USPGYFYTNYEKMD-UHFFFAOYSA-N 0 3 312.457 3.371 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1nc(C)cs1 ZINC001667726406 1197383349 /nfs/dbraw/zinc/38/33/49/1197383349.db2.gz FDCHUCSWGOIAHD-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN Cc1ccccc1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001667959380 1197392366 /nfs/dbraw/zinc/39/23/66/1197392366.db2.gz VVRKSFVYMYYDTC-MRXNPFEDSA-N 0 3 321.424 3.165 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CCc1ccc(C)cc1 ZINC001668133062 1197401423 /nfs/dbraw/zinc/40/14/23/1197401423.db2.gz NVCMKYYYBBRMDK-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(c2ccccc2C)CC1 ZINC001668331788 1197410220 /nfs/dbraw/zinc/41/02/20/1197410220.db2.gz JOJOQVMKUIMPCM-HNNXBMFYSA-N 0 3 320.864 3.264 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccc(C)nc1C ZINC001668516845 1197417350 /nfs/dbraw/zinc/41/73/50/1197417350.db2.gz FKNVHKOXVHSMPW-UHFFFAOYSA-N 0 3 317.477 3.239 20 30 DGEDHN C=C1CCC(C(=O)N(CC)CCNCc2cnc(C)s2)CC1 ZINC001668545941 1197419048 /nfs/dbraw/zinc/41/90/48/1197419048.db2.gz KUSGMNBUXNZYJK-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C[C@@H](NC/C=C/CNC(=O)C#CC(C)(C)C)c1cccc(F)c1 ZINC001668815161 1197430963 /nfs/dbraw/zinc/43/09/63/1197430963.db2.gz IWFVJBIVIFRWPI-LLYBFZRZSA-N 0 3 316.420 3.198 20 30 DGEDHN C[C@@H](NC/C=C\CNC(=O)C#CC(C)(C)C)c1cccc(F)c1 ZINC001668815160 1197431163 /nfs/dbraw/zinc/43/11/63/1197431163.db2.gz IWFVJBIVIFRWPI-IYKSTZQJSA-N 0 3 316.420 3.198 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001668990038 1197436719 /nfs/dbraw/zinc/43/67/19/1197436719.db2.gz WPYCFSNSQDFGPX-FPLPWBNLSA-N 0 3 316.420 3.090 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001669543994 1197461901 /nfs/dbraw/zinc/46/19/01/1197461901.db2.gz APMJCJWMZVOLGX-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001669658075 1197468717 /nfs/dbraw/zinc/46/87/17/1197468717.db2.gz VXQGTUBISMHISR-SJCJKPOMSA-N 0 3 310.388 3.161 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669712233 1197472728 /nfs/dbraw/zinc/47/27/28/1197472728.db2.gz ZOEVUAONJDKHJA-ROUUACIJSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001669783597 1197482502 /nfs/dbraw/zinc/48/25/02/1197482502.db2.gz WJHIJDWPJAHPOQ-CQSZACIVSA-N 0 3 300.402 3.336 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001669816745 1197488022 /nfs/dbraw/zinc/48/80/22/1197488022.db2.gz YXUFGMTXALQMSX-SDMNGIDPSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cscc1C(F)(F)F ZINC001669937312 1197508545 /nfs/dbraw/zinc/50/85/45/1197508545.db2.gz YCVHZXZITKCKOG-VIFPVBQESA-N 0 3 306.353 3.003 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCNCc1cc(F)ccc1Cl ZINC001670087954 1197519675 /nfs/dbraw/zinc/51/96/75/1197519675.db2.gz PQVFCCXDHXIMLJ-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CC(C)(C)C(F)(F)F ZINC001670327519 1197532512 /nfs/dbraw/zinc/53/25/12/1197532512.db2.gz CTKFIVAZQCPRLV-UHFFFAOYSA-N 0 3 314.779 3.156 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@](C)(NC(=O)C#CC3CC3)C2)cc1 ZINC001671638390 1197555650 /nfs/dbraw/zinc/55/56/50/1197555650.db2.gz QCJWNJQOIBTLEC-NRFANRHFSA-N 0 3 324.468 3.304 20 30 DGEDHN CCCCCCCN1CC[C@@](C)(NC(=O)c2nccs2)C1 ZINC001671677573 1197561537 /nfs/dbraw/zinc/56/15/37/1197561537.db2.gz AZGQOFDDXIHEHW-MRXNPFEDSA-N 0 3 309.479 3.308 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccc(C)s2)C1 ZINC001671700741 1197563930 /nfs/dbraw/zinc/56/39/30/1197563930.db2.gz XWBPRFYUUXSJNA-QGZVFWFLSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1CC ZINC001672177610 1197594547 /nfs/dbraw/zinc/59/45/47/1197594547.db2.gz YTDLZKRJMLKIKQ-SFHVURJKSA-N 0 3 312.457 3.372 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(C(F)F)CC2)cc1 ZINC001672936683 1197629506 /nfs/dbraw/zinc/62/95/06/1197629506.db2.gz CHQSLDBANAODKP-ZDUSSCGKSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)C(C)(F)F)cc1 ZINC001672943456 1197629917 /nfs/dbraw/zinc/62/99/17/1197629917.db2.gz MMTDWPHLQWTIKF-ZIAGYGMSSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001673478478 1197665647 /nfs/dbraw/zinc/66/56/47/1197665647.db2.gz JRRYILRKGSMPPX-IAGOWNOFSA-N 0 3 306.494 3.252 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]([C@H]2CCCN(CCF)C2)C1 ZINC001673497176 1197670053 /nfs/dbraw/zinc/67/00/53/1197670053.db2.gz YTOUXZDSQBWTNR-ZWKOTPCHSA-N 0 3 322.468 3.100 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC ZINC001673632956 1197681068 /nfs/dbraw/zinc/68/10/68/1197681068.db2.gz BEIUNFMWEHRSTL-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC001673629904 1197681754 /nfs/dbraw/zinc/68/17/54/1197681754.db2.gz UTXRSXSIDWMDRG-BEFAXECRSA-N 0 3 321.424 3.481 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)COC(C)C)cc2C1 ZINC001673760323 1197690784 /nfs/dbraw/zinc/69/07/84/1197690784.db2.gz IADYWCCYDWWULY-UHFFFAOYSA-N 0 3 316.445 3.010 20 30 DGEDHN CC(C)C1CCC(N2CCN(C(=O)CC(C)(C)C#N)CC2)CC1 ZINC000500410444 1197698898 /nfs/dbraw/zinc/69/88/98/1197698898.db2.gz PGSXELWGBUQISO-UHFFFAOYSA-N 0 3 319.493 3.285 20 30 DGEDHN C=C(Br)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389858210 1197711408 /nfs/dbraw/zinc/71/14/08/1197711408.db2.gz DCZMFZKPBCAEIO-IUODEOHRSA-N 0 3 309.251 3.005 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1cccc(F)c1 ZINC001674257920 1197752308 /nfs/dbraw/zinc/75/23/08/1197752308.db2.gz FIEZSAGRNROCCX-QWHCGFSZSA-N 0 3 312.816 3.166 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)C=C(CC)CC)CC2)C1 ZINC001674280363 1197757719 /nfs/dbraw/zinc/75/77/19/1197757719.db2.gz SPSJIJZJKPNLGQ-UHFFFAOYSA-N 0 3 320.477 3.002 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H]1CN(C)C/C=C/c1ccccc1 ZINC001674451190 1197778694 /nfs/dbraw/zinc/77/86/94/1197778694.db2.gz ZMGBAKYQKXYTGS-OEMHODTASA-N 0 3 324.468 3.282 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](F)CC1CCCCC1 ZINC001674491602 1197786788 /nfs/dbraw/zinc/78/67/88/1197786788.db2.gz PLULYRAXCYOARU-DLBZAZTESA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001674671957 1197829112 /nfs/dbraw/zinc/82/91/12/1197829112.db2.gz CSAXHZLTEWOPSR-CHWSQXEVSA-N 0 3 310.388 3.304 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1cccs1 ZINC001674815119 1197882081 /nfs/dbraw/zinc/88/20/81/1197882081.db2.gz SSCMNPOORXAUNL-UHFFFAOYSA-N 0 3 314.882 3.117 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1CC2(CCC2)C1 ZINC001674851645 1197891270 /nfs/dbraw/zinc/89/12/70/1197891270.db2.gz HYWSYCNUZHIYFS-UHFFFAOYSA-N 0 3 312.885 3.393 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001674931239 1197925211 /nfs/dbraw/zinc/92/52/11/1197925211.db2.gz JPUCKFIDVOOIIV-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001675348909 1198048359 /nfs/dbraw/zinc/04/83/59/1198048359.db2.gz JRLZFWRVHSUDOR-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001675348772 1198048916 /nfs/dbraw/zinc/04/89/16/1198048916.db2.gz HIQDPUORIOXERO-SJLPKXTDSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001675348773 1198049548 /nfs/dbraw/zinc/04/95/48/1198049548.db2.gz HIQDPUORIOXERO-WMZOPIPTSA-N 0 3 314.473 3.268 20 30 DGEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)c1ccccc1 ZINC001675847303 1198155699 /nfs/dbraw/zinc/15/56/99/1198155699.db2.gz FCCZMGQVKZHFHM-MRXNPFEDSA-N 0 3 321.424 3.247 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001675959020 1198179915 /nfs/dbraw/zinc/17/99/15/1198179915.db2.gz PTNFTCSDDBBGAQ-LRDDRELGSA-N 0 3 324.827 3.092 20 30 DGEDHN C=CCCCC(=O)N1CCC(N(C)Cc2c(C)noc2C)CC1 ZINC001676063561 1198214432 /nfs/dbraw/zinc/21/44/32/1198214432.db2.gz CWYKLKBSSGIQIN-UHFFFAOYSA-N 0 3 319.449 3.071 20 30 DGEDHN CN(C(=O)C1CCCC1)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001676187473 1198243784 /nfs/dbraw/zinc/24/37/84/1198243784.db2.gz KHLUKQUGWPKTDQ-HXUWFJFHSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001676365166 1198302231 /nfs/dbraw/zinc/30/22/31/1198302231.db2.gz ULPSEOLMZVZESR-SZMVWBNQSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cnc(C)s2)[C@H]1C ZINC001676651050 1198357852 /nfs/dbraw/zinc/35/78/52/1198357852.db2.gz RWPNZTMVAJOERU-IUODEOHRSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC001676791294 1198389009 /nfs/dbraw/zinc/38/90/09/1198389009.db2.gz UKHKZTNALXZVEL-BEFAXECRSA-N 0 3 312.457 3.027 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CC3(C)CCCCC3)CCC[C@@H]12 ZINC001676810172 1198396625 /nfs/dbraw/zinc/39/66/25/1198396625.db2.gz QYLSTNJZGLEULY-APWZRJJASA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC3(C)CCCCC3)CCC[C@H]12 ZINC001676810174 1198397767 /nfs/dbraw/zinc/39/77/67/1198397767.db2.gz QYLSTNJZGLEULY-QFBILLFUSA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001676867806 1198415955 /nfs/dbraw/zinc/41/59/55/1198415955.db2.gz UWOHWZIAIXDPEY-MJGOQNOKSA-N 0 3 312.457 3.349 20 30 DGEDHN C=C1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001677063808 1198471908 /nfs/dbraw/zinc/47/19/08/1198471908.db2.gz BLGRTGCVJJPWEN-SFHVURJKSA-N 0 3 313.445 3.013 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@@H]1CCCCO1)C(C)C ZINC001677201720 1198485899 /nfs/dbraw/zinc/48/58/99/1198485899.db2.gz OYROJDLMWDOBOZ-KRWDZBQOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001677280964 1198508351 /nfs/dbraw/zinc/50/83/51/1198508351.db2.gz BTXOWTHPTKWXMB-LPHOPBHVSA-N 0 3 317.477 3.304 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(C)CCCCC2)CC1 ZINC001677364065 1198523169 /nfs/dbraw/zinc/52/31/69/1198523169.db2.gz PYNGTPHVGSAVLD-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2ccc(Cl)s2)CC1 ZINC001677621298 1198561629 /nfs/dbraw/zinc/56/16/29/1198561629.db2.gz OEXVRMUQNYKOTG-LBPRGKRZSA-N 0 3 324.877 3.439 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC001677621296 1198561768 /nfs/dbraw/zinc/56/17/68/1198561768.db2.gz OEXVRMUQNYKOTG-GFCCVEGCSA-N 0 3 324.877 3.439 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC001677632038 1198564301 /nfs/dbraw/zinc/56/43/01/1198564301.db2.gz FEWINWCLQUHJAT-SFHVURJKSA-N 0 3 310.441 3.281 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)CCC2(C)CC2)c(F)c1 ZINC001677648151 1198567487 /nfs/dbraw/zinc/56/74/87/1198567487.db2.gz FXULXAUCHFMWQS-UHFFFAOYSA-N 0 3 304.409 3.298 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)NC1CCN(CC(=C)C)CC1 ZINC001678668205 1198715148 /nfs/dbraw/zinc/71/51/48/1198715148.db2.gz KMYSQQJTWJTPET-UHFFFAOYSA-N 0 3 307.482 3.319 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001682087008 1199128509 /nfs/dbraw/zinc/12/85/09/1199128509.db2.gz KLPZVSPUDGBXOY-ROUUACIJSA-N 0 3 315.461 3.223 20 30 DGEDHN C=C1CCC(CNC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC001683957360 1199323031 /nfs/dbraw/zinc/32/30/31/1199323031.db2.gz NOCRZOFBHQHNDC-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC1(C)CCCC1)c1ccccc1 ZINC001691782699 1199642304 /nfs/dbraw/zinc/64/23/04/1199642304.db2.gz QVPJHTSOXANKFM-GOSISDBHSA-N 0 3 312.457 3.427 20 30 DGEDHN CN(C)c1ccc(CNCc2cccc(OCC#N)c2)cc1F ZINC000113347048 1199667556 /nfs/dbraw/zinc/66/75/56/1199667556.db2.gz PUVKDWCTBJXDCN-UHFFFAOYSA-N 0 3 313.376 3.084 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001688878959 1199938691 /nfs/dbraw/zinc/93/86/91/1199938691.db2.gz SSIZLBVILAJTPE-OALUTQOASA-N 0 3 312.457 3.289 20 30 DGEDHN CC(C)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001688953695 1199971001 /nfs/dbraw/zinc/97/10/01/1199971001.db2.gz UFKIAEPLLZUMIV-ZWKOTPCHSA-N 0 3 312.457 3.029 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cccc(Cl)n1)C(C)C ZINC001753833681 1199984642 /nfs/dbraw/zinc/98/46/42/1199984642.db2.gz FRCVANUVYNOKOR-CQSZACIVSA-N 0 3 323.868 3.178 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)Cc1ccco1 ZINC001689055418 1200012401 /nfs/dbraw/zinc/01/24/01/1200012401.db2.gz HFAOCPNPRKABRN-CJNGLKHVSA-N 0 3 324.852 3.181 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1ccco1 ZINC001689055419 1200013126 /nfs/dbraw/zinc/01/31/26/1200013126.db2.gz HFAOCPNPRKABRN-CZUORRHYSA-N 0 3 324.852 3.181 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CC1(c2ccccc2)CC1 ZINC001753985834 1200058573 /nfs/dbraw/zinc/05/85/73/1200058573.db2.gz YJPMYGYGADWIKT-OAHLLOKOSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@H](NCc2cnoc2C)C1 ZINC001689262391 1200074055 /nfs/dbraw/zinc/07/40/55/1200074055.db2.gz PWPIJRVCJSTLMI-KRWDZBQOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001754026232 1200075751 /nfs/dbraw/zinc/07/57/51/1200075751.db2.gz XITPDYIGEUKEGQ-KGLIPLIRSA-N 0 3 324.852 3.036 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)CC(C)(C)C1 ZINC001689363236 1200111672 /nfs/dbraw/zinc/11/16/72/1200111672.db2.gz PRCAAIBCJNBQOR-RDJZCZTQSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCCC(=O)NC/C=C\CN[C@H]1CCc2ccc(F)cc21 ZINC001754164889 1200119432 /nfs/dbraw/zinc/11/94/32/1200119432.db2.gz QLWBIAMXIPTREF-XFHJGTJQSA-N 0 3 316.420 3.431 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)CC1CCCCC1 ZINC001754258942 1200158127 /nfs/dbraw/zinc/15/81/27/1200158127.db2.gz KIDAZYIABVIEHV-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN CCC[C@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001754285697 1200174126 /nfs/dbraw/zinc/17/41/26/1200174126.db2.gz HSPVURUKHNWEFT-BBRMVZONSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001754327694 1200219348 /nfs/dbraw/zinc/21/93/48/1200219348.db2.gz HCHHJQVONYWSKN-OAHLLOKOSA-N 0 3 302.462 3.149 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001754484531 1200292782 /nfs/dbraw/zinc/29/27/82/1200292782.db2.gz CGZCYMYHNWWEPQ-AEFFLSMTSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccsc1COC ZINC001754487350 1200297219 /nfs/dbraw/zinc/29/72/19/1200297219.db2.gz HKWQUHNNXHMXCT-KGLIPLIRSA-N 0 3 322.474 3.053 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001754495318 1200308272 /nfs/dbraw/zinc/30/82/72/1200308272.db2.gz JBLYNFGDUDACCI-NVXWUHKLSA-N 0 3 316.445 3.244 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CC[C@@H](C)c1ccccc1 ZINC001689858766 1200310305 /nfs/dbraw/zinc/31/03/05/1200310305.db2.gz JVPXHVXIJFUIRL-QGZVFWFLSA-N 0 3 300.446 3.032 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccccn1 ZINC001689903427 1200324303 /nfs/dbraw/zinc/32/43/03/1200324303.db2.gz VTHSVGPCFHFAAP-SJLPKXTDSA-N 0 3 315.461 3.297 20 30 DGEDHN CCN(CCCNC(=O)C=C1CCC1)Cc1ccc(C#N)s1 ZINC001689926952 1200333150 /nfs/dbraw/zinc/33/31/50/1200333150.db2.gz PSFQKJAGNQJGMU-UHFFFAOYSA-N 0 3 317.458 3.058 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C(C)=C1CCC1 ZINC001689931024 1200336175 /nfs/dbraw/zinc/33/61/75/1200336175.db2.gz IFZRESTUVZKETR-UHFFFAOYSA-N 0 3 324.468 3.367 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001754556482 1200362011 /nfs/dbraw/zinc/36/20/11/1200362011.db2.gz BGJAHTOJMYEVJA-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC001689998009 1200362691 /nfs/dbraw/zinc/36/26/91/1200362691.db2.gz ZIJCBIHLFLEHPQ-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001690049430 1200385208 /nfs/dbraw/zinc/38/52/08/1200385208.db2.gz RYRXMVRVFVFJRG-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001690094413 1200397839 /nfs/dbraw/zinc/39/78/39/1200397839.db2.gz CMSDDOGOKDJQSX-LBPRGKRZSA-N 0 3 312.360 3.296 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001690113117 1200406687 /nfs/dbraw/zinc/40/66/87/1200406687.db2.gz ZRTFMPBFMOAPGR-HKUYNNGSSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCN(C(=O)CCC1CCC1)C1CCN(CC(=C)C)CC1 ZINC001754635708 1200409951 /nfs/dbraw/zinc/40/99/51/1200409951.db2.gz BDWZLAHIYWLSHF-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)C/C=C(/C)C=C)C1CCN(CC(=C)C)CC1 ZINC001754639351 1200410375 /nfs/dbraw/zinc/41/03/75/1200410375.db2.gz FCADMWRPTCJEHI-IUXPMGMMSA-N 0 3 300.446 3.011 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C1(CC)CC1)c1ccc2ccccc2c1 ZINC001754644194 1200411502 /nfs/dbraw/zinc/41/15/02/1200411502.db2.gz QDXJBAXEXFOAHH-LJQANCHMSA-N 0 3 320.436 3.410 20 30 DGEDHN CC#CCNC[C@H](NC(=O)C1(C)CC1)c1ccc2ccccc2c1 ZINC001754644463 1200412003 /nfs/dbraw/zinc/41/20/03/1200412003.db2.gz UICHHONVMVFRHT-IBGZPJMESA-N 0 3 320.436 3.410 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)nc(C)c2)CC1 ZINC001690134081 1200413896 /nfs/dbraw/zinc/41/38/96/1200413896.db2.gz DMKFBAVSYVMXNI-UHFFFAOYSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CCCC(=O)NC[C@@H](N[C@H](C)c1ccccc1F)C1CC1 ZINC001690144955 1200421137 /nfs/dbraw/zinc/42/11/37/1200421137.db2.gz IZYYHQISRQWMBN-CXAGYDPISA-N 0 3 304.409 3.337 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H](CNCCF)C1CCCC1)c1ccccc1 ZINC001754656904 1200421789 /nfs/dbraw/zinc/42/17/89/1200421789.db2.gz WSGNZYGJNRVSIM-ROUUACIJSA-N 0 3 318.436 3.190 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C(F)(F)F ZINC001690209713 1200455880 /nfs/dbraw/zinc/45/58/80/1200455880.db2.gz JEYKOGXFMSJVMM-MELADBBJSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001690213833 1200457048 /nfs/dbraw/zinc/45/70/48/1200457048.db2.gz OOWGAXCJYFFUMZ-MJQMVNBJSA-N 0 3 304.478 3.310 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](CC)CCC)C2)CC1 ZINC001754783966 1200487785 /nfs/dbraw/zinc/48/77/85/1200487785.db2.gz SNLJANZAWWNBKU-HKUYNNGSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2nc(C)c(C)s2)C1 ZINC001754787376 1200489016 /nfs/dbraw/zinc/48/90/16/1200489016.db2.gz JHUOPDRVBICCJW-UKRRQHHQSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC12CCC2)c1ccccc1CC ZINC001754788365 1200490896 /nfs/dbraw/zinc/49/08/96/1200490896.db2.gz CJHVMJIIHZBHFZ-RTBURBONSA-N 0 3 324.468 3.209 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001690360258 1200512182 /nfs/dbraw/zinc/51/21/82/1200512182.db2.gz GBZLUEADVMEKDO-YTQUADARSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC001754939969 1200543610 /nfs/dbraw/zinc/54/36/10/1200543610.db2.gz XZUVUNDXRWIQDN-JKSUJKDBSA-N 0 3 323.868 3.020 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC23CCCC3)cc1 ZINC001754949077 1200549876 /nfs/dbraw/zinc/54/98/76/1200549876.db2.gz VQYKIQXQTJICKM-YJBOKZPZSA-N 0 3 310.441 3.167 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C\c2ccco2)cc1 ZINC001754954327 1200555353 /nfs/dbraw/zinc/55/53/53/1200555353.db2.gz QONQSIOVMLQHBO-YUQCYMQKSA-N 0 3 322.408 3.283 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(Cl)c1F ZINC001690454699 1200566911 /nfs/dbraw/zinc/56/69/11/1200566911.db2.gz KVSUZQVLHVDREY-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN CC/C(C)=C\C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001690468570 1200578795 /nfs/dbraw/zinc/57/87/95/1200578795.db2.gz IZRRQMVZIHTNBH-ZWSWSHGQSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CC)CCCCC2)C1 ZINC001690505172 1200600791 /nfs/dbraw/zinc/60/07/91/1200600791.db2.gz OUGKWHQIAQIRIC-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN(C)Cc1csc(C)c1 ZINC001755036517 1200601180 /nfs/dbraw/zinc/60/11/80/1200601180.db2.gz TXBBKKKTEIWZFN-UHFFFAOYSA-N 0 3 306.475 3.140 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCN(C)[C@@H](C)c1ccccc1F ZINC001755037292 1200604797 /nfs/dbraw/zinc/60/47/97/1200604797.db2.gz SVLYGJUIVHVAMI-INIZCTEOSA-N 0 3 318.436 3.326 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CC=C)CCCC1)C2 ZINC001755079903 1200633274 /nfs/dbraw/zinc/63/32/74/1200633274.db2.gz UAHXPMXRGAVJKL-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CCC(F)F)cc2C1 ZINC001755102193 1200637354 /nfs/dbraw/zinc/63/73/54/1200637354.db2.gz LJELJVKAUIQKBI-UHFFFAOYSA-N 0 3 308.372 3.240 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001755136616 1200653702 /nfs/dbraw/zinc/65/37/02/1200653702.db2.gz CLUSOTOXGMAGCQ-QGZVFWFLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001755136616 1200653712 /nfs/dbraw/zinc/65/37/12/1200653712.db2.gz CLUSOTOXGMAGCQ-QGZVFWFLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1CCN(CC#CC)CC1(C)C)c1ccccc1 ZINC001755144008 1200661656 /nfs/dbraw/zinc/66/16/56/1200661656.db2.gz UQOIJIRTHBFNQQ-OALUTQOASA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001755144300 1200662748 /nfs/dbraw/zinc/66/27/48/1200662748.db2.gz ZXLCLSMJKZYHBO-SJLPKXTDSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CCC(F)F ZINC001755171609 1200678132 /nfs/dbraw/zinc/67/81/32/1200678132.db2.gz ADFLJCBEFVZCAZ-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN CCCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001755172759 1200678921 /nfs/dbraw/zinc/67/89/21/1200678921.db2.gz XMTPXWCDBNIHCF-YJBOKZPZSA-N 0 3 313.445 3.052 20 30 DGEDHN CN(C/C=C\c1ccccc1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC001755192948 1200691672 /nfs/dbraw/zinc/69/16/72/1200691672.db2.gz OJTNGMTXOLECCO-FMSOUQGNSA-N 0 3 322.452 3.036 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001755222449 1200711723 /nfs/dbraw/zinc/71/17/23/1200711723.db2.gz DKQBIRMWNRGKID-LSDHHAIUSA-N 0 3 318.848 3.141 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C=C1CCCCC1 ZINC001755229290 1200718385 /nfs/dbraw/zinc/71/83/85/1200718385.db2.gz YJBNAHOLFUQGFL-ROUUACIJSA-N 0 3 324.468 3.411 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001690856745 1200751946 /nfs/dbraw/zinc/75/19/46/1200751946.db2.gz WKOGUGFZMLATHG-CYBMUJFWSA-N 0 3 319.836 3.327 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)c(Cl)c1 ZINC001690860894 1200754398 /nfs/dbraw/zinc/75/43/98/1200754398.db2.gz LTJIYWVJRFTDFP-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN CCC(C)(C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001690860303 1200754748 /nfs/dbraw/zinc/75/47/48/1200754748.db2.gz WKQOHJKFUBAIBR-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001755277643 1200758314 /nfs/dbraw/zinc/75/83/14/1200758314.db2.gz PEDUHIJLWJUNBM-OAHLLOKOSA-N 0 3 318.461 3.435 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CCc1ccco1 ZINC001690885272 1200763482 /nfs/dbraw/zinc/76/34/82/1200763482.db2.gz GUMKBRVDONWCLJ-HNNXBMFYSA-N 0 3 324.852 3.326 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1C=CC=CC=C1 ZINC001690899331 1200776536 /nfs/dbraw/zinc/77/65/36/1200776536.db2.gz NVKZJLPQANLJPI-KRWDZBQOSA-N 0 3 320.864 3.398 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1Cc1cc(C)no1 ZINC001690905591 1200779223 /nfs/dbraw/zinc/77/92/23/1200779223.db2.gz KTRXBZFMDALECV-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC001755298990 1200780365 /nfs/dbraw/zinc/78/03/65/1200780365.db2.gz PNBMFURVSFJQNF-QGZVFWFLSA-N 0 3 314.473 3.406 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1CC ZINC001755311133 1200794358 /nfs/dbraw/zinc/79/43/58/1200794358.db2.gz IYTNUADRODQQJV-HNNXBMFYSA-N 0 3 302.462 3.398 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)C/C=C\c2ccccc2)C1 ZINC001755314250 1200797401 /nfs/dbraw/zinc/79/74/01/1200797401.db2.gz DGKHQWRSRMMHSG-SDMNGIDPSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)c(OC)c1)c1ccccc1 ZINC001691787427 1200807724 /nfs/dbraw/zinc/80/77/24/1200807724.db2.gz LXGDEDAQMGVJPP-SFHVURJKSA-N 0 3 324.424 3.250 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CCc1cccnc1)c1ccccc1 ZINC001691787172 1200808609 /nfs/dbraw/zinc/80/86/09/1200808609.db2.gz KBTYJDKBCHVGCL-IBGZPJMESA-N 0 3 323.440 3.037 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](CC)CC(F)(F)F ZINC001691798955 1200811759 /nfs/dbraw/zinc/81/17/59/1200811759.db2.gz WLGNFNIHUWRDAL-KGLIPLIRSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC(=C)C)CCC1 ZINC001691831907 1200827287 /nfs/dbraw/zinc/82/72/87/1200827287.db2.gz JBJPGUMBHZIUBN-CALCHBBNSA-N 0 3 302.462 3.374 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC(C)C)C1 ZINC001691831408 1200827590 /nfs/dbraw/zinc/82/75/90/1200827590.db2.gz FVYLMDIITHLGKG-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@H](NCc1cscn1)C(C)C ZINC001755341331 1200827639 /nfs/dbraw/zinc/82/76/39/1200827639.db2.gz FXZBMIKKPVXTPJ-HNNXBMFYSA-N 0 3 323.506 3.318 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](CC)OC1CCCC1 ZINC001755368558 1200855865 /nfs/dbraw/zinc/85/58/65/1200855865.db2.gz QHBUCJZPHLZWRL-WMZOPIPTSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001755389615 1200872076 /nfs/dbraw/zinc/87/20/76/1200872076.db2.gz AFOQIYPJVKEDEX-QFBILLFUSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001755389851 1200872338 /nfs/dbraw/zinc/87/23/38/1200872338.db2.gz GBGNNUORDLKKSL-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001691928309 1200877629 /nfs/dbraw/zinc/87/76/29/1200877629.db2.gz GZKIVAVQHZSWJR-IUPIIVDYSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001691928310 1200877714 /nfs/dbraw/zinc/87/77/14/1200877714.db2.gz GZKIVAVQHZSWJR-XFJCDGKPSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCO[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001755405914 1200881483 /nfs/dbraw/zinc/88/14/83/1200881483.db2.gz ANDCCAINAGZBKO-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](CC=C)c2ccccc2)C(C)(C)C1 ZINC001755415677 1200892340 /nfs/dbraw/zinc/89/23/40/1200892340.db2.gz KSNXCLZBMIFJMP-RTBURBONSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)[C@H]1CC ZINC001692021848 1200915340 /nfs/dbraw/zinc/91/53/40/1200915340.db2.gz IXVYOQCIUNWYSI-YESZJQIVSA-N 0 3 310.457 3.450 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@@H]1C ZINC001692167300 1200954757 /nfs/dbraw/zinc/95/47/57/1200954757.db2.gz YSHFBJRLGSZSEN-QAPCUYQASA-N 0 3 316.445 3.131 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)[C@H]1C ZINC001692229335 1200977549 /nfs/dbraw/zinc/97/75/49/1200977549.db2.gz VNJBTSIADHSJKP-NEWSRXKRSA-N 0 3 312.457 3.173 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2ccc(F)c(F)c2)C1 ZINC001755606440 1200984499 /nfs/dbraw/zinc/98/44/99/1200984499.db2.gz QCSCYBPYNAOEIS-ZDUSSCGKSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1F ZINC001692263997 1200993993 /nfs/dbraw/zinc/99/39/93/1200993993.db2.gz WWFQGRISQNUGKC-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)CC(C)(C)C1 ZINC001692275524 1201001013 /nfs/dbraw/zinc/00/10/13/1201001013.db2.gz JGTZPGKTDYQIGV-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN CCCC(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001692313285 1201012224 /nfs/dbraw/zinc/01/22/24/1201012224.db2.gz MMKMLVGKGVADSC-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001755685129 1201014683 /nfs/dbraw/zinc/01/46/83/1201014683.db2.gz UGUGWLNEKNGDBN-HUUCEWRRSA-N 0 3 318.848 3.173 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C#CC(C)(C)C)C1 ZINC001692319013 1201015866 /nfs/dbraw/zinc/01/58/66/1201015866.db2.gz LEJVJGPKZMUZBT-HNNXBMFYSA-N 0 3 310.869 3.149 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2(CCC)CCC2)[C@H]1C ZINC001755717042 1201038880 /nfs/dbraw/zinc/03/88/80/1201038880.db2.gz PXDFMOJNNZJGCF-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)C2(C)C ZINC001692378184 1201043913 /nfs/dbraw/zinc/04/39/13/1201043913.db2.gz JDOKNOGOPZHJRM-ASPXRTSYSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)[C@@H]1C[C@H]1C)Cc1ccccc1 ZINC001755723217 1201044036 /nfs/dbraw/zinc/04/40/36/1201044036.db2.gz NJRKVGBLNSMGIH-KBRIMQKVSA-N 0 3 320.864 3.102 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001755838818 1201098759 /nfs/dbraw/zinc/09/87/59/1201098759.db2.gz GCKHHEOAUJCBGD-DLBZAZTESA-N 0 3 320.452 3.436 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CCCCC(C)(C)C)CC1 ZINC001755849109 1201105357 /nfs/dbraw/zinc/10/53/57/1201105357.db2.gz YCAPDIBFNXLIKG-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001755861037 1201110932 /nfs/dbraw/zinc/11/09/32/1201110932.db2.gz DWMKQBGYKXQMKO-GRERDSQWSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)C2CCC2)c(F)c1 ZINC001755901648 1201126916 /nfs/dbraw/zinc/12/69/16/1201126916.db2.gz YTXPXUCNJWNOSE-CYBMUJFWSA-N 0 3 304.409 3.154 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001698586599 1201260657 /nfs/dbraw/zinc/26/06/57/1201260657.db2.gz WHOGOTZHDREKBX-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001698586507 1201260698 /nfs/dbraw/zinc/26/06/98/1201260698.db2.gz QGILXEQFEQUFIG-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2cccs2)C1 ZINC001698587630 1201261696 /nfs/dbraw/zinc/26/16/96/1201261696.db2.gz XHLJOOBOBWLKGW-LSDHHAIUSA-N 0 3 306.475 3.351 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC2CCCCCC2)C1 ZINC001698587799 1201263749 /nfs/dbraw/zinc/26/37/49/1201263749.db2.gz KZTNWOZQQXPJNX-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN CC[C@H](CNC(=O)C(C)=C1CCC1)NCc1ccc(C#N)s1 ZINC001698594983 1201268808 /nfs/dbraw/zinc/26/88/08/1201268808.db2.gz AFVOGBDZWHVXQZ-CQSZACIVSA-N 0 3 317.458 3.105 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2[nH]ccc2C)CCCC[C@@H]1C ZINC001698652288 1201315909 /nfs/dbraw/zinc/31/59/09/1201315909.db2.gz CPZDMEIHSWWHMO-SUMWQHHRSA-N 0 3 323.868 3.344 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CCNCc2cnoc2C)C1 ZINC001698678966 1201331694 /nfs/dbraw/zinc/33/16/94/1201331694.db2.gz GXLILHVWYABKJA-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cscc2C)CCCC1 ZINC001698795263 1201423775 /nfs/dbraw/zinc/42/37/75/1201423775.db2.gz CFNWOMFHZUHNQE-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2CCC(F)CC2)CCCC1 ZINC001698801318 1201431678 /nfs/dbraw/zinc/43/16/78/1201431678.db2.gz MBJYFHKCEYBQDI-UHFFFAOYSA-N 0 3 316.848 3.286 20 30 DGEDHN CCCC(=O)N[C@H](CNCC#Cc1ccc(F)cc1)CC(C)C ZINC001698866533 1201525008 /nfs/dbraw/zinc/52/50/08/1201525008.db2.gz SOTYQCWKUPZPLW-SFHVURJKSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](C)c1ccco1 ZINC001698918895 1201574197 /nfs/dbraw/zinc/57/41/97/1201574197.db2.gz SVOTYXITFIJYEQ-LSDHHAIUSA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1cncs1 ZINC001698940299 1201590338 /nfs/dbraw/zinc/59/03/38/1201590338.db2.gz OLJXLVFSNRVBEU-GOEBONIOSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(C)C(C)(F)F)C(C)C ZINC001698978911 1201635988 /nfs/dbraw/zinc/63/59/88/1201635988.db2.gz CYHGJJIQBFMQJN-LLVKDONJSA-N 0 3 310.816 3.151 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1CCC(C2CC2)CC1 ZINC001699156595 1201731570 /nfs/dbraw/zinc/73/15/70/1201731570.db2.gz WWRAXOLKSXXUMA-IUDNXUCKSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CCC(C2CC2)CC1 ZINC001699156596 1201731994 /nfs/dbraw/zinc/73/19/94/1201731994.db2.gz WWRAXOLKSXXUMA-JEYLPNPQSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(Cl)c2occc21 ZINC001752092670 1201776099 /nfs/dbraw/zinc/77/60/99/1201776099.db2.gz BBAREAMIZUYJAY-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN CCN(CCCNC(=O)C#CC(C)C)Cc1cc(C)ccc1F ZINC001752181079 1201794114 /nfs/dbraw/zinc/79/41/14/1201794114.db2.gz 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1201876545 /nfs/dbraw/zinc/87/65/45/1201876545.db2.gz FFASDOZWPGAXDR-SJCJKPOMSA-N 0 3 322.399 3.355 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001752670268 1201890392 /nfs/dbraw/zinc/89/03/92/1201890392.db2.gz VXTNUXYJIJEEJH-HDJSIYSDSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(F)c2ccccc12 ZINC001699461126 1201896708 /nfs/dbraw/zinc/89/67/08/1201896708.db2.gz RIPMTBBAWSSRKH-CYBMUJFWSA-N 0 3 300.377 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNCc1cscn1 ZINC001699484744 1201924720 /nfs/dbraw/zinc/92/47/20/1201924720.db2.gz QXTFHTHAMJWWTP-DZGCQCFKSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(C(F)F)CCCC1 ZINC001699529853 1201936942 /nfs/dbraw/zinc/93/69/42/1201936942.db2.gz QSUBHDGFWUUWDO-UHFFFAOYSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001699577731 1201955498 /nfs/dbraw/zinc/95/54/98/1201955498.db2.gz JUHKVHUVYUNGBK-GFCCVEGCSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001699624793 1201988031 /nfs/dbraw/zinc/98/80/31/1201988031.db2.gz WIOHVSSQWXVFMA-DZGCQCFKSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001699639067 1202005337 /nfs/dbraw/zinc/00/53/37/1202005337.db2.gz MNJLVJRHXPQVFH-NVXWUHKLSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(C(C)C)nc2C)CC1 ZINC001699646920 1202011958 /nfs/dbraw/zinc/01/19/58/1202011958.db2.gz GYUOFSJZLTYBGK-UHFFFAOYSA-N 0 3 315.461 3.218 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001699689554 1202035553 /nfs/dbraw/zinc/03/55/53/1202035553.db2.gz WODMAKRIDHLWDV-UHFFFAOYSA-N 0 3 321.852 3.084 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001699688025 1202035855 /nfs/dbraw/zinc/03/58/55/1202035855.db2.gz OAJXYFGTLRDHHV-KDURUIRLSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001752996144 1202046513 /nfs/dbraw/zinc/04/65/13/1202046513.db2.gz JIJGDEUGUQCRGO-VPLQDYMCSA-N 0 3 324.468 3.426 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001752996279 1202047367 /nfs/dbraw/zinc/04/73/67/1202047367.db2.gz BLQPLHQAZAOEBE-LJQANCHMSA-N 0 3 312.457 3.370 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001753000936 1202050492 /nfs/dbraw/zinc/05/04/92/1202050492.db2.gz WNFQKCMLGXQESY-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1nc(C)c(C)s1 ZINC001753013325 1202058475 /nfs/dbraw/zinc/05/84/75/1202058475.db2.gz GSSXYXWHSPZSBR-PXAZEXFGSA-N 0 3 323.506 3.347 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2cccc(C)c2)CC1 ZINC001699769115 1202072815 /nfs/dbraw/zinc/07/28/15/1202072815.db2.gz DFIJUDLKWLQJDL-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)C1CCN(CC(=C)C)CC1 ZINC001699785329 1202077146 /nfs/dbraw/zinc/07/71/46/1202077146.db2.gz LHBOKUFWYSYBMM-ICSRJNTNSA-N 0 3 316.489 3.171 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@@H](C)CC)c1ccc2ccccc2c1 ZINC001699789860 1202079111 /nfs/dbraw/zinc/07/91/11/1202079111.db2.gz RYMAHCOAPPUBMW-HNAYVOBHSA-N 0 3 308.425 3.266 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1scnc1C)C1CCCC1 ZINC001699793077 1202081238 /nfs/dbraw/zinc/08/12/38/1202081238.db2.gz QSBPVGSMDALFBC-HNNXBMFYSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccc(CC)cc2)C1 ZINC001699815778 1202092930 /nfs/dbraw/zinc/09/29/30/1202092930.db2.gz LRDDMFBQWNGHAW-FQEVSTJZSA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCc2ccsc2)C1 ZINC001699819408 1202096371 /nfs/dbraw/zinc/09/63/71/1202096371.db2.gz IQZOEORDEKOBIQ-KRWDZBQOSA-N 0 3 306.475 3.228 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)[C@@H](C)c1cccc(F)c1 ZINC001753081417 1202112791 /nfs/dbraw/zinc/11/27/91/1202112791.db2.gz DZRGMBVHYMPTCJ-HNNXBMFYSA-N 0 3 318.436 3.374 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001753093028 1202122765 /nfs/dbraw/zinc/12/27/65/1202122765.db2.gz SANRLNNTWJYKGN-JKSUJKDBSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001753114809 1202143479 /nfs/dbraw/zinc/14/34/79/1202143479.db2.gz SEJOWPNOMDFTJG-GOSISDBHSA-N 0 3 314.473 3.293 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCCC(C)C)C[C@@H]2C1 ZINC001699991328 1202160350 /nfs/dbraw/zinc/16/03/50/1202160350.db2.gz HFZNUNLKNLLCAW-HDICACEKSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CCC)C(C)C ZINC001700013764 1202163396 /nfs/dbraw/zinc/16/33/96/1202163396.db2.gz RPHKZXFYHLIZON-RCCFBDPRSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2c(C)oc(C)c2C)C1 ZINC001700066993 1202171069 /nfs/dbraw/zinc/17/10/69/1202171069.db2.gz APHJQNMRSZEERN-OAHLLOKOSA-N 0 3 324.852 3.399 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccccc2F)cc1 ZINC001700096390 1202179877 /nfs/dbraw/zinc/17/98/77/1202179877.db2.gz SMGUXYRZLJBNIZ-HNNXBMFYSA-N 0 3 324.399 3.430 20 30 DGEDHN CC[C@@H](NCCN(C)C(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001753187546 1202181875 /nfs/dbraw/zinc/18/18/75/1202181875.db2.gz LOPYEOPHOGTHNI-QGZVFWFLSA-N 0 3 322.399 3.123 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](CC)CCCC)C2)CC1 ZINC001700107985 1202183489 /nfs/dbraw/zinc/18/34/89/1202183489.db2.gz PDJVQUPVVIOMBX-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC001700179535 1202196994 /nfs/dbraw/zinc/19/69/94/1202196994.db2.gz RLFZVQOXDZSIBO-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)CSC)c1ccccc1 ZINC001753297313 1202199529 /nfs/dbraw/zinc/19/95/29/1202199529.db2.gz IRSOJAJZEBIEJQ-GDBMZVCRSA-N 0 3 306.475 3.009 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccc(Cl)[nH]1)c1ccccc1 ZINC001753302134 1202200677 /nfs/dbraw/zinc/20/06/77/1202200677.db2.gz VIEPDNFDQNMDIK-HNNXBMFYSA-N 0 3 317.820 3.305 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](OC)c1ccccc1)c1ccccc1 ZINC001753302658 1202200833 /nfs/dbraw/zinc/20/08/33/1202200833.db2.gz HRGQECPVXGAOTM-RBUKOAKNSA-N 0 3 324.424 3.007 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1CC ZINC001753306111 1202201655 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ZINC001700251180 1202217514 /nfs/dbraw/zinc/21/75/14/1202217514.db2.gz GOGIXYJGMWYSIM-UHFFFAOYSA-N 0 3 324.424 3.420 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)[C@@H](C)CCC)CC2)C1 ZINC001700331788 1202239549 /nfs/dbraw/zinc/23/95/49/1202239549.db2.gz IELKGDFHWLNZHV-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H](C=C)c1ccccc1 ZINC001700362729 1202250484 /nfs/dbraw/zinc/25/04/84/1202250484.db2.gz DJDZMECMIGXAEL-HKUYNNGSSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]([C@H]2CCN(CCF)C2)C1 ZINC001700363443 1202250910 /nfs/dbraw/zinc/25/09/10/1202250910.db2.gz ISHHMZMZYVKBPL-HOTGVXAUSA-N 0 3 310.457 3.119 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C2CC2)CC1 ZINC001753426538 1202251226 /nfs/dbraw/zinc/25/12/26/1202251226.db2.gz FAQSXVHADMSDLG-BTRQGYIVSA-N 0 3 316.489 3.454 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H](C)C2CCCCC2)C1 ZINC001753444895 1202256117 /nfs/dbraw/zinc/25/61/17/1202256117.db2.gz ARYFAYXPZFQJGB-WMZOPIPTSA-N 0 3 304.478 3.149 20 30 DGEDHN Cc1ccccc1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001700387255 1202258544 /nfs/dbraw/zinc/25/85/44/1202258544.db2.gz XUBPSFLTIYPYSB-ROUUACIJSA-N 0 3 320.436 3.143 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccc(C)s2)C1 ZINC001753450772 1202259643 /nfs/dbraw/zinc/25/96/43/1202259643.db2.gz TULMUCAJWZLNLR-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001753451171 1202260274 /nfs/dbraw/zinc/26/02/74/1202260274.db2.gz YNINLAKQIFNYOW-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2cc(C)ns2)CCC1 ZINC001700419004 1202267375 /nfs/dbraw/zinc/26/73/75/1202267375.db2.gz MJJDBIWHLDZHOX-KBPBESRZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2ccnc(Cl)c2)C1 ZINC001700420069 1202268036 /nfs/dbraw/zinc/26/80/36/1202268036.db2.gz OCRHDYGURYHUEP-STQMWFEESA-N 0 3 321.852 3.074 20 30 DGEDHN CC[C@@H](CNC(=O)[C@H]1CCC1(C)C)NCc1ccc(C#N)s1 ZINC001753482845 1202271010 /nfs/dbraw/zinc/27/10/10/1202271010.db2.gz HIFMCHSAZNPZAU-SWLSCSKDSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC001700565373 1202313914 /nfs/dbraw/zinc/31/39/14/1202313914.db2.gz AWMZOKYRNLNBCX-CYBMUJFWSA-N 0 3 304.425 3.439 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001700447252 1202274980 /nfs/dbraw/zinc/27/49/80/1202274980.db2.gz QBLRGIFBPIEHDY-RHSMWYFYSA-N 0 3 314.901 3.495 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1(CNCc2conc2C)CCCC1 ZINC001753503557 1202277795 /nfs/dbraw/zinc/27/77/95/1202277795.db2.gz KMYDNZXMITXEGY-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCC1CCCC1 ZINC001700523513 1202304035 /nfs/dbraw/zinc/30/40/35/1202304035.db2.gz OADTZXXDQAUOQO-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001700563837 1202313334 /nfs/dbraw/zinc/31/33/34/1202313334.db2.gz OOWJOJWUFTXQNH-BYDNTSKGSA-N 0 3 320.477 3.001 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001700571554 1202316162 /nfs/dbraw/zinc/31/61/62/1202316162.db2.gz UOQGMTIIMXADLQ-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cccc(C)c2)C(C)(C)C1 ZINC001700572873 1202316274 /nfs/dbraw/zinc/31/62/74/1202316274.db2.gz LQPDJRFATZLKAX-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001700573729 1202316984 /nfs/dbraw/zinc/31/69/84/1202316984.db2.gz COTYUAUHZRGSTG-RHSMWYFYSA-N 0 3 318.436 3.332 20 30 DGEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)C1=CCCC1 ZINC001753732275 1202323827 /nfs/dbraw/zinc/32/38/27/1202323827.db2.gz DYPMUXJWVUQRQK-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001700643199 1202328106 /nfs/dbraw/zinc/32/81/06/1202328106.db2.gz FXAAIALECIFOSH-HAQNSBGRSA-N 0 3 313.228 3.191 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001700650800 1202329631 /nfs/dbraw/zinc/32/96/31/1202329631.db2.gz DKSDRMGLFUMQEH-MVMZHWFQSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(N(C)Cc2conc2C)CC1 ZINC001700695752 1202336779 /nfs/dbraw/zinc/33/67/79/1202336779.db2.gz RTRFDTAKXWLNRO-HNNXBMFYSA-N 0 3 319.449 3.008 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(Cl)o1)C(C)C ZINC001753824625 1202341779 /nfs/dbraw/zinc/34/17/79/1202341779.db2.gz MSSWVKWSONKWLQ-JTQLQIEISA-N 0 3 305.205 3.030 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001700721253 1202342571 /nfs/dbraw/zinc/34/25/71/1202342571.db2.gz IDHPBKBPZNAARJ-QGZVFWFLSA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001700759223 1202349652 /nfs/dbraw/zinc/34/96/52/1202349652.db2.gz FGJCKDFPWDGLAY-CYBMUJFWSA-N 0 3 314.429 3.108 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C)c2ccccc12 ZINC001700769786 1202351871 /nfs/dbraw/zinc/35/18/71/1202351871.db2.gz YTNKZWNLBVFSPV-INIZCTEOSA-N 0 3 308.425 3.222 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001700775211 1202352869 /nfs/dbraw/zinc/35/28/69/1202352869.db2.gz CIXAAXMZTMRTDH-ZDUSSCGKSA-N 0 3 316.426 3.082 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001700840381 1202357761 /nfs/dbraw/zinc/35/77/61/1202357761.db2.gz GENDMDPMZJVQSE-CABCVRRESA-N 0 3 318.848 3.173 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001700845340 1202358254 /nfs/dbraw/zinc/35/82/54/1202358254.db2.gz ZCJSFEJABQNQSR-ZBFHGGJFSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)[C@H]1C ZINC001700881435 1202364467 /nfs/dbraw/zinc/36/44/67/1202364467.db2.gz VXWZMCLZXRGDRI-WMZOPIPTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001700882495 1202365287 /nfs/dbraw/zinc/36/52/87/1202365287.db2.gz ZIRDTQVFDBNEAK-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN CC/C=C(/C)C(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001700911804 1202369288 /nfs/dbraw/zinc/36/92/88/1202369288.db2.gz KPWCHFKEPUZLRG-DDYRAIOVSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001700920443 1202370327 /nfs/dbraw/zinc/37/03/27/1202370327.db2.gz ZVLPAHMUSCJFAB-ZHUYAKLQSA-N 0 3 310.869 3.149 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001700922447 1202370777 /nfs/dbraw/zinc/37/07/77/1202370777.db2.gz CANQMMCASXUBOH-MRXNPFEDSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC001700946196 1202372029 /nfs/dbraw/zinc/37/20/29/1202372029.db2.gz XEXASYCJHGCZRT-DZGCQCFKSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)CCCC)CC[C@@H]1C(F)(F)F ZINC001701013329 1202381399 /nfs/dbraw/zinc/38/13/99/1202381399.db2.gz YAYBRBSMYDUHLS-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccc(C)cc2)c(F)c1 ZINC001701065457 1202386821 /nfs/dbraw/zinc/38/68/21/1202386821.db2.gz ZHHXVXMUWGSWMB-UHFFFAOYSA-N 0 3 312.388 3.340 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001707042649 1202568521 /nfs/dbraw/zinc/56/85/21/1202568521.db2.gz UCXHXYDDBSSHJJ-HUUCEWRRSA-N 0 3 307.463 3.016 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001707053233 1202569798 /nfs/dbraw/zinc/56/97/98/1202569798.db2.gz HRTHPJJKTYZZSA-JKSUJKDBSA-N 0 3 304.434 3.190 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCN1CC1CC(F)(F)C1 ZINC001707052704 1202569827 /nfs/dbraw/zinc/56/98/27/1202569827.db2.gz XCJQSOZZUVZIDG-ZFWWWQNUSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001707075730 1202571894 /nfs/dbraw/zinc/57/18/94/1202571894.db2.gz STQCQNPBZLWRPV-QCEMKRCNSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001707085678 1202572594 /nfs/dbraw/zinc/57/25/94/1202572594.db2.gz XATAFAQOOMDLHM-WGSAOQKQSA-N 0 3 324.468 3.125 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001707125252 1202573816 /nfs/dbraw/zinc/57/38/16/1202573816.db2.gz PRXLJCZEEFAGJE-JJEJIETFSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)CC(C)C ZINC001707128880 1202573965 /nfs/dbraw/zinc/57/39/65/1202573965.db2.gz DKXYXCIFFVDDSQ-HIFRSBDPSA-N 0 3 300.874 3.392 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1scnc1C ZINC001707155557 1202574760 /nfs/dbraw/zinc/57/47/60/1202574760.db2.gz UKUXKYKNSHDULN-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C\Cc2ccccc2)[C@H]1CC ZINC001707195655 1202576137 /nfs/dbraw/zinc/57/61/37/1202576137.db2.gz OCKWXMIYSWBZRZ-XEWGXYBMSA-N 0 3 324.468 3.168 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC001707413338 1202583697 /nfs/dbraw/zinc/58/36/97/1202583697.db2.gz UYIHRBWLCDRZHT-GOSISDBHSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCOCCN1CC[C@@H](NC(=O)CCC2CCCCCC2)C1 ZINC001713084798 1202615477 /nfs/dbraw/zinc/61/54/77/1202615477.db2.gz BWUYZWRKBWTSGR-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001713088260 1202616033 /nfs/dbraw/zinc/61/60/33/1202616033.db2.gz ADYALDYYAHIZSY-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001713098130 1202616787 /nfs/dbraw/zinc/61/67/87/1202616787.db2.gz HNADTCRREOVXCS-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166104 1202623410 /nfs/dbraw/zinc/62/34/10/1202623410.db2.gz IXUBWLPGIPXXEP-LEAZDLGRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001713175931 1202624434 /nfs/dbraw/zinc/62/44/34/1202624434.db2.gz TYUWPXYCXJRRLW-JYJNAYRXSA-N 0 3 324.827 3.309 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001713199037 1202625955 /nfs/dbraw/zinc/62/59/55/1202625955.db2.gz QYOXIADPOCTAFN-MELADBBJSA-N 0 3 304.409 3.336 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(CC)CC ZINC001713271442 1202633706 /nfs/dbraw/zinc/63/37/06/1202633706.db2.gz JAYFPFYOPNEOCB-MSOLQXFVSA-N 0 3 304.478 3.291 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1)CC ZINC001713304626 1202637510 /nfs/dbraw/zinc/63/75/10/1202637510.db2.gz XRDVIUGXONSEAR-CYBMUJFWSA-N 0 3 317.408 3.038 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC001713401665 1202645957 /nfs/dbraw/zinc/64/59/57/1202645957.db2.gz SFCFACQLYXSCBP-INIZCTEOSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001713408295 1202646808 /nfs/dbraw/zinc/64/68/08/1202646808.db2.gz KQLGFQSENSCNKP-CYBMUJFWSA-N 0 3 323.868 3.230 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C(C)(C)CCC ZINC001713416138 1202647453 /nfs/dbraw/zinc/64/74/53/1202647453.db2.gz LIVCPVDJKSUGRW-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccncc1C ZINC001713431778 1202649187 /nfs/dbraw/zinc/64/91/87/1202649187.db2.gz MVQVLIIFMFKXNF-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCCCCN1CCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001713500831 1202661107 /nfs/dbraw/zinc/66/11/07/1202661107.db2.gz PJJSZQNTNAYKBS-HNNXBMFYSA-N 0 3 321.490 3.392 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001713515782 1202663791 /nfs/dbraw/zinc/66/37/91/1202663791.db2.gz APLAEILVDFMLNC-PXNSSMCTSA-N 0 3 312.457 3.047 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(C)c2ccccc12 ZINC001713550105 1202668573 /nfs/dbraw/zinc/66/85/73/1202668573.db2.gz OWKQBAHIQPDTCF-UHFFFAOYSA-N 0 3 308.425 3.223 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)CCNCc1cc(F)ccc1C ZINC001713624222 1202673824 /nfs/dbraw/zinc/67/38/24/1202673824.db2.gz DEBGVBUGNMHOOF-OAHLLOKOSA-N 0 3 306.425 3.284 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2ccc(F)cc2)CC1 ZINC001713630651 1202674168 /nfs/dbraw/zinc/67/41/68/1202674168.db2.gz AOLNRSQAGRGHMP-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(C)CCCCC1)c1ccccc1 ZINC001713700084 1202678558 /nfs/dbraw/zinc/67/85/58/1202678558.db2.gz ANYROVBFZABRMH-GOSISDBHSA-N 0 3 312.457 3.427 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC001713699587 1202678560 /nfs/dbraw/zinc/67/85/60/1202678560.db2.gz WVFZNVLBPLGSGF-ZSYWTGECSA-N 0 3 312.457 3.446 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001713714872 1202680270 /nfs/dbraw/zinc/68/02/70/1202680270.db2.gz KYCQCTJKXIAEOA-BDXSIMOUSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001713716950 1202680590 /nfs/dbraw/zinc/68/05/90/1202680590.db2.gz APKYOOGPVSTZQF-KRWDZBQOSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2occc2Cl)C1 ZINC001713719871 1202681283 /nfs/dbraw/zinc/68/12/83/1202681283.db2.gz JRSXLZNMHMBYOI-ZDUSSCGKSA-N 0 3 310.825 3.436 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccoc2CCC)C1 ZINC001713721846 1202681736 /nfs/dbraw/zinc/68/17/36/1202681736.db2.gz ZVBRPMPNCGTDIA-INIZCTEOSA-N 0 3 316.445 3.182 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)Cc2ncccc2C)C1 ZINC001713751586 1202686309 /nfs/dbraw/zinc/68/63/09/1202686309.db2.gz ALOBAOBGCCEPQB-KRWDZBQOSA-N 0 3 315.461 3.027 20 30 DGEDHN C=CCCCC(=O)N1CCC(CN(C)Cc2conc2C)CC1 ZINC001713765596 1202688274 /nfs/dbraw/zinc/68/82/74/1202688274.db2.gz ACFOOEWLWLGJOO-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCN(CCCNC(=O)c1oc2ccccc2c1CC)C1CC1 ZINC001713776044 1202689308 /nfs/dbraw/zinc/68/93/08/1202689308.db2.gz XMZLKVJFWDDWFZ-UHFFFAOYSA-N 0 3 324.424 3.213 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@H]1CCCC[C@H]1C)C1CC1 ZINC001713776857 1202689322 /nfs/dbraw/zinc/68/93/22/1202689322.db2.gz VHWBPWMZEVUQCH-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001713913672 1202701802 /nfs/dbraw/zinc/70/18/02/1202701802.db2.gz HKDUZROXEDMXFW-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C/c1ccc[nH]1 ZINC001713931562 1202703231 /nfs/dbraw/zinc/70/32/31/1202703231.db2.gz CPTRBIHRJYPRNX-VCVRMXLYSA-N 0 3 313.445 3.059 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1F ZINC001713943237 1202704333 /nfs/dbraw/zinc/70/43/33/1202704333.db2.gz IHMOTWZCHUSJKI-PMPSAXMXSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001713990909 1202717380 /nfs/dbraw/zinc/71/73/80/1202717380.db2.gz DUVDULOTCHFZAG-KRWDZBQOSA-N 0 3 304.409 3.155 20 30 DGEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001713991531 1202718767 /nfs/dbraw/zinc/71/87/67/1202718767.db2.gz KGHXJDCVWPMAKZ-BEFAXECRSA-N 0 3 321.424 3.032 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001714000679 1202721821 /nfs/dbraw/zinc/72/18/21/1202721821.db2.gz GYLOLDPKCRVWOH-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN Cc1ccccc1CN1CC[C@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001714001202 1202722689 /nfs/dbraw/zinc/72/26/89/1202722689.db2.gz SIEZVXKCAIBFCI-SFHVURJKSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001714008618 1202725113 /nfs/dbraw/zinc/72/51/13/1202725113.db2.gz NAPWENPQNFWBFA-GASCZTMLSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001714021757 1202732144 /nfs/dbraw/zinc/73/21/44/1202732144.db2.gz PNWOCTOZOJZUBQ-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001714038610 1202745341 /nfs/dbraw/zinc/74/53/41/1202745341.db2.gz AEEQPLNYQUKVCK-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001714039959 1202745721 /nfs/dbraw/zinc/74/57/21/1202745721.db2.gz KZHQYEHWLKOCHH-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001714048459 1202750829 /nfs/dbraw/zinc/75/08/29/1202750829.db2.gz BRBURIGNMZQRKP-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001714048880 1202751648 /nfs/dbraw/zinc/75/16/48/1202751648.db2.gz RXLDYBUGDPCJLX-SFHVURJKSA-N 0 3 318.505 3.444 20 30 DGEDHN CC/C=C(/C)C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001714062485 1202758118 /nfs/dbraw/zinc/75/81/18/1202758118.db2.gz TVUDBHKSJCDDFK-GQJZTYNYSA-N 0 3 316.420 3.018 20 30 DGEDHN CC[C@H](CNC(=O)c1oc(C)cc1C)NCC#Cc1ccccc1 ZINC001714063107 1202759026 /nfs/dbraw/zinc/75/90/26/1202759026.db2.gz DEFUTPPYLMGDPK-GOSISDBHSA-N 0 3 324.424 3.046 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)C(C)C)NCC#Cc1ccccc1 ZINC001714073722 1202762456 /nfs/dbraw/zinc/76/24/56/1202762456.db2.gz DYPIDOMOKHBYSA-GOSISDBHSA-N 0 3 314.473 3.205 20 30 DGEDHN CC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)NCC#Cc1ccccc1 ZINC001714083106 1202767015 /nfs/dbraw/zinc/76/70/15/1202767015.db2.gz WMDKGUSISQJVRC-WMZOPIPTSA-N 0 3 314.473 3.205 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001714098098 1202773917 /nfs/dbraw/zinc/77/39/17/1202773917.db2.gz LISXDDZFCYUXEM-CYBMUJFWSA-N 0 3 321.490 3.430 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1F ZINC001714116333 1202787018 /nfs/dbraw/zinc/78/70/18/1202787018.db2.gz ZGNHKDLUINJDLZ-OAHLLOKOSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001714142041 1202798302 /nfs/dbraw/zinc/79/83/02/1202798302.db2.gz CTBKYNNXQVEMKL-CSLLIFPHSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)c1ccccc1)C1CC1 ZINC001714173576 1202815911 /nfs/dbraw/zinc/81/59/11/1202815911.db2.gz CHUODBGSSGGORA-KDOFPFPSSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001714175050 1202816203 /nfs/dbraw/zinc/81/62/03/1202816203.db2.gz WAGZUBJGSRZGMY-ZBFHGGJFSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001714210384 1202833244 /nfs/dbraw/zinc/83/32/44/1202833244.db2.gz NQFLVYGSWWRWQK-MRXNPFEDSA-N 0 3 320.864 3.256 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC001714233451 1202841496 /nfs/dbraw/zinc/84/14/96/1202841496.db2.gz VLZDMIIBEVUOPT-UONOGXRCSA-N 0 3 306.837 3.155 20 30 DGEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@@H](C)C(C)(C)C ZINC001714405986 1202915491 /nfs/dbraw/zinc/91/54/91/1202915491.db2.gz VTNACQROTPKCNL-LSDHHAIUSA-N 0 3 315.461 3.082 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC001714405822 1202915689 /nfs/dbraw/zinc/91/56/89/1202915689.db2.gz DCQMYVPAOCWFPS-HUUCEWRRSA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2ocnc2C)C1 ZINC001714412019 1202918849 /nfs/dbraw/zinc/91/88/49/1202918849.db2.gz LFUFMSBHGJRYJX-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC001714447889 1202938693 /nfs/dbraw/zinc/93/86/93/1202938693.db2.gz CBPUACAKEVIHOG-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001714455386 1202944858 /nfs/dbraw/zinc/94/48/58/1202944858.db2.gz WZKURUZHLSNEGM-SFHVURJKSA-N 0 3 306.494 3.251 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001714473689 1202953426 /nfs/dbraw/zinc/95/34/26/1202953426.db2.gz UTVWZPHDHSPIMN-CNSOWSRNSA-N 0 3 324.896 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(Cl)cc1C ZINC001714486597 1202957496 /nfs/dbraw/zinc/95/74/96/1202957496.db2.gz MCSNURDLVLHGSW-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CCCC1 ZINC001714496228 1202963150 /nfs/dbraw/zinc/96/31/50/1202963150.db2.gz NECADQVCEPYXBR-SOUVJXGZSA-N 0 3 310.869 3.194 20 30 DGEDHN CC(=O)NCCC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC001714504116 1202967027 /nfs/dbraw/zinc/96/70/27/1202967027.db2.gz VAIMKYIRTNTSKQ-SFHVURJKSA-N 0 3 318.848 3.072 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)[C@@H](C)c2ccccc2)cc1 ZINC001714551609 1202996459 /nfs/dbraw/zinc/99/64/59/1202996459.db2.gz HZDCJRDHGFWRLR-INIZCTEOSA-N 0 3 306.409 3.091 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001714570380 1203011371 /nfs/dbraw/zinc/01/13/71/1203011371.db2.gz HPCQPWKOQAOYAX-UHFFFAOYSA-N 0 3 300.402 3.287 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CCC1CCC1 ZINC001714579442 1203020778 /nfs/dbraw/zinc/02/07/78/1203020778.db2.gz XQFTVISPJQTBPR-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001714589948 1203029454 /nfs/dbraw/zinc/02/94/54/1203029454.db2.gz QLJABKMIAPFUOK-LJQANCHMSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001714616633 1203052061 /nfs/dbraw/zinc/05/20/61/1203052061.db2.gz DPBARLIHQLTGLN-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001714630033 1203063872 /nfs/dbraw/zinc/06/38/72/1203063872.db2.gz APISJUSMEVBMTA-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001714643882 1203069335 /nfs/dbraw/zinc/06/93/35/1203069335.db2.gz SWHODWDKUGUDMU-KRWDZBQOSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1cc(C)cc(C)c1)C1CC1 ZINC001714674720 1203094895 /nfs/dbraw/zinc/09/48/95/1203094895.db2.gz QTKAFKZZLYVAPM-UHFFFAOYSA-N 0 3 314.473 3.393 20 30 DGEDHN C#CCC1(C(=O)NCCN(CC(=C)C)C2CC2)CCCCC1 ZINC001714676359 1203098181 /nfs/dbraw/zinc/09/81/81/1203098181.db2.gz QASUHJXCZRENKG-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN[C@H](C)c2ccccc2F)cc1 ZINC001714740564 1203113247 /nfs/dbraw/zinc/11/32/47/1203113247.db2.gz DFLDYBXVVQVXBY-OAHLLOKOSA-N 0 3 324.399 3.230 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1occ2c1CCC2)c1ccccc1 ZINC001714837710 1203146442 /nfs/dbraw/zinc/14/64/42/1203146442.db2.gz JYQUUSBGWOGVDC-KRWDZBQOSA-N 0 3 310.397 3.015 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001714841037 1203147398 /nfs/dbraw/zinc/14/73/98/1203147398.db2.gz TYPGUMLJZOXPPD-CVEARBPZSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccn1C(C)C)c1ccccc1 ZINC001714844519 1203149521 /nfs/dbraw/zinc/14/95/21/1203149521.db2.gz ZTNIDVLWZKQKRM-QGZVFWFLSA-N 0 3 311.429 3.316 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)COCC2CCCC2)C1 ZINC001714856462 1203156724 /nfs/dbraw/zinc/15/67/24/1203156724.db2.gz PIZGGVHXNDTGRZ-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](CN(C)CCF)C2)CCCCC1 ZINC001714909324 1203192908 /nfs/dbraw/zinc/19/29/08/1203192908.db2.gz QSCQHGMMRVKPOV-INIZCTEOSA-N 0 3 310.457 3.263 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CCCc2ccccc2C)C1 ZINC001714965262 1203219884 /nfs/dbraw/zinc/21/98/84/1203219884.db2.gz HIQLWASWISUCFN-UHFFFAOYSA-N 0 3 314.473 3.332 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C/Cc1ccccc1 ZINC001714987425 1203227031 /nfs/dbraw/zinc/22/70/31/1203227031.db2.gz KEUKTOVZGYVSLS-ZBWOGFRMSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccsc1 ZINC001714991937 1203228629 /nfs/dbraw/zinc/22/86/29/1203228629.db2.gz MLEBFYUVIDWWLI-KBMXLJTQSA-N 0 3 304.459 3.103 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001715019582 1203239758 /nfs/dbraw/zinc/23/97/58/1203239758.db2.gz QDSIBMXLLIWMMC-KBXCAEBGSA-N 0 3 316.420 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cc(C)ccc2C)C1 ZINC001715039568 1203249388 /nfs/dbraw/zinc/24/93/88/1203249388.db2.gz BDRFSBYYUSWKOC-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCCc2ccsc2)C1 ZINC001715042706 1203249885 /nfs/dbraw/zinc/24/98/85/1203249885.db2.gz YDFAOIFXTVRABI-QGZVFWFLSA-N 0 3 318.486 3.017 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001715046475 1203253112 /nfs/dbraw/zinc/25/31/12/1203253112.db2.gz NUODSJGBVSALBZ-IAGOWNOFSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)N[C@H](C)c1ccc(F)cc1F ZINC001715062890 1203259872 /nfs/dbraw/zinc/25/98/72/1203259872.db2.gz ZLQVMDSNLLVIOQ-HIFRSBDPSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001715138694 1203283637 /nfs/dbraw/zinc/28/36/37/1203283637.db2.gz TZZUSBTUITYLSZ-VSKPTYQZSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cccc(F)c2F)CCCC1 ZINC001715297294 1203309502 /nfs/dbraw/zinc/30/95/02/1203309502.db2.gz IUJNPEIABLHRHY-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN CCC1(C(=O)NCC2(NCC#Cc3ccccc3)CCCC2)CC1 ZINC001715302733 1203310320 /nfs/dbraw/zinc/31/03/20/1203310320.db2.gz GQKWSMYKMHWPLJ-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)cc1OC ZINC001715329037 1203316841 /nfs/dbraw/zinc/31/68/41/1203316841.db2.gz FEKFYPYWDYGNEP-ZDUSSCGKSA-N 0 3 324.852 3.251 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cc(C)ns2)CCC1 ZINC001715361075 1203324365 /nfs/dbraw/zinc/32/43/65/1203324365.db2.gz OUODRXIKTGNTAT-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cscn2)[C@@H](C)C1 ZINC001715421682 1203338892 /nfs/dbraw/zinc/33/88/92/1203338892.db2.gz ZTJQWQMTUHBHNP-DZGCQCFKSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCC#Cc2ccccc2)C(C)C)C1 ZINC001715503964 1203354218 /nfs/dbraw/zinc/35/42/18/1203354218.db2.gz SQUZAGCVPPLCON-IBGZPJMESA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2ccccc2F)CCC1 ZINC001715535955 1203366386 /nfs/dbraw/zinc/36/63/86/1203366386.db2.gz FRBLIMSZECLKII-UHFFFAOYSA-N 0 3 318.436 3.214 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1oc(C(F)F)cc1C ZINC001715651837 1203377864 /nfs/dbraw/zinc/37/78/64/1203377864.db2.gz GTNDYFFZOQFPKX-SNVBAGLBSA-N 0 3 320.767 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(OCC)cc1)C(C)C ZINC001715715877 1203383916 /nfs/dbraw/zinc/38/39/16/1203383916.db2.gz XEWVVRWVYMHUFO-INIZCTEOSA-N 0 3 324.852 3.182 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(CCC)CCC1)C(C)C ZINC001715718704 1203383944 /nfs/dbraw/zinc/38/39/44/1203383944.db2.gz FKAMECDHCAOZMR-AWEZNQCLSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2ccc(F)c(F)c2)C1 ZINC001715754703 1203388448 /nfs/dbraw/zinc/38/84/48/1203388448.db2.gz GSWMMWYNGFMFJN-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCCC(=O)NC/C=C\CNCc1ccc(Cl)c(F)c1 ZINC001715797892 1203393230 /nfs/dbraw/zinc/39/32/30/1203393230.db2.gz WNNJGDGDCHIBPZ-PLNGDYQASA-N 0 3 310.800 3.207 20 30 DGEDHN C=CCCCC(=O)NC/C=C\CN[C@H]1CCc2c1cccc2F ZINC001715858157 1203398336 /nfs/dbraw/zinc/39/83/36/1203398336.db2.gz HMZYMCNOFQOMRY-XFHJGTJQSA-N 0 3 316.420 3.431 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)CCc2cccs2)CCC1 ZINC001715941196 1203407491 /nfs/dbraw/zinc/40/74/91/1203407491.db2.gz OKFNNWLSNROFDO-UHFFFAOYSA-N 0 3 320.502 3.427 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001715968903 1203413501 /nfs/dbraw/zinc/41/35/01/1203413501.db2.gz HCCFMJJGKBMQOQ-ZWKOTPCHSA-N 0 3 300.446 3.065 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC001715984327 1203416231 /nfs/dbraw/zinc/41/62/31/1203416231.db2.gz RVNBYMJYRDXZFT-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001715993795 1203417725 /nfs/dbraw/zinc/41/77/25/1203417725.db2.gz AKVKMYIZNKMPBJ-ZDUSSCGKSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1csc2c1CC[C@H](C)C2 ZINC001716004212 1203419663 /nfs/dbraw/zinc/41/96/63/1203419663.db2.gz QSUHJCDDAWEXPM-AWEZNQCLSA-N 0 3 320.502 3.453 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001716029669 1203428738 /nfs/dbraw/zinc/42/87/38/1203428738.db2.gz QYNMTMXKCJRJPB-HNNXBMFYSA-N 0 3 312.413 3.173 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001716041670 1203433195 /nfs/dbraw/zinc/43/31/95/1203433195.db2.gz UYUKRXOPMGFPQC-KBXCAEBGSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccc2cc[nH]c2c1 ZINC001716042363 1203433638 /nfs/dbraw/zinc/43/36/38/1203433638.db2.gz XFSAKIWWBYFIMQ-OAHLLOKOSA-N 0 3 313.445 3.461 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001716050749 1203435966 /nfs/dbraw/zinc/43/59/66/1203435966.db2.gz VAOMEMGHJGHMBM-RQJZHBNNSA-N 0 3 322.880 3.430 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCNCc1c(F)cccc1Cl ZINC001716124434 1203441505 /nfs/dbraw/zinc/44/15/05/1203441505.db2.gz GTOLXDMEEFOOMK-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001716142185 1203442947 /nfs/dbraw/zinc/44/29/47/1203442947.db2.gz QIXNIHQRVQDIFU-OAHLLOKOSA-N 0 3 315.461 3.225 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2c1CCC2 ZINC001716201909 1203448486 /nfs/dbraw/zinc/44/84/86/1203448486.db2.gz ZRTGLFRZDGRSDT-ZDUSSCGKSA-N 0 3 306.837 3.026 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)C1(CC)CCC1 ZINC001716235093 1203452195 /nfs/dbraw/zinc/45/21/95/1203452195.db2.gz ZRZXJLDUXOLNIS-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN CC(C)(C)C#CC(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001716292418 1203457551 /nfs/dbraw/zinc/45/75/51/1203457551.db2.gz KECLNDBHCOBJFG-PLNGDYQASA-N 0 3 318.848 3.152 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1sccc1Cl ZINC001716407636 1203467585 /nfs/dbraw/zinc/46/75/85/1203467585.db2.gz TYLWZJLQLJHYEB-SNVBAGLBSA-N 0 3 300.855 3.208 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cc(F)cc(F)c2)CCC1 ZINC001716411592 1203468483 /nfs/dbraw/zinc/46/84/83/1203468483.db2.gz QLIDBXHERPKLDZ-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC(C)(C)C1CC1 ZINC001716435710 1203473777 /nfs/dbraw/zinc/47/37/77/1203473777.db2.gz VXRIBOCDNUKGHV-LBPRGKRZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001716438543 1203474319 /nfs/dbraw/zinc/47/43/19/1203474319.db2.gz AZQGJIPJXHEVCE-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN CCCCCCC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001716462612 1203478689 /nfs/dbraw/zinc/47/86/89/1203478689.db2.gz NBGGRIBJXWOWPN-KRWDZBQOSA-N 0 3 300.446 3.103 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001716473071 1203482281 /nfs/dbraw/zinc/48/22/81/1203482281.db2.gz NGNKHMMNDNAWMX-CXAGYDPISA-N 0 3 304.409 3.216 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1 ZINC001716489710 1203488615 /nfs/dbraw/zinc/48/86/15/1203488615.db2.gz OLBNMNKRJICALH-DDKJEQMHSA-N 0 3 300.446 3.349 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001716501879 1203493754 /nfs/dbraw/zinc/49/37/54/1203493754.db2.gz JJORLSVXDVHHLE-CABCVRRESA-N 0 3 304.434 3.100 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@H]1CNCc1ocnc1C ZINC001716517936 1203498244 /nfs/dbraw/zinc/49/82/44/1203498244.db2.gz IZHKWMQCUQGIOS-HOTGVXAUSA-N 0 3 319.449 3.104 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001716539490 1203501067 /nfs/dbraw/zinc/50/10/67/1203501067.db2.gz DUTGVKIHXHXIQC-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001716619226 1203507170 /nfs/dbraw/zinc/50/71/70/1203507170.db2.gz ROIRYTTVIBMAPE-PXNSSMCTSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001716640918 1203511137 /nfs/dbraw/zinc/51/11/37/1203511137.db2.gz KLZXTZJLQKREBP-QGZVFWFLSA-N 0 3 304.409 3.376 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001716652290 1203513883 /nfs/dbraw/zinc/51/38/83/1203513883.db2.gz KWHNOJFTBDRKTL-SFHVURJKSA-N 0 3 302.462 3.446 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001716654934 1203514366 /nfs/dbraw/zinc/51/43/66/1203514366.db2.gz MPOGQCBBJWPDBU-KGLIPLIRSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)CC(F)(F)F ZINC001716667780 1203520612 /nfs/dbraw/zinc/52/06/12/1203520612.db2.gz GVNCBCHSMYBNMZ-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H]1CCCc2ccccc21 ZINC001716669452 1203521253 /nfs/dbraw/zinc/52/12/53/1203521253.db2.gz PDJKUFCLBSIEOX-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001716669700 1203521336 /nfs/dbraw/zinc/52/13/36/1203521336.db2.gz VBUDMVIZBGWJBI-ZIAGYGMSSA-N 0 3 306.837 3.499 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cccc(CC)c2)CC1 ZINC001716690065 1203525615 /nfs/dbraw/zinc/52/56/15/1203525615.db2.gz SEWPXSPOWGXROB-UHFFFAOYSA-N 0 3 300.446 3.200 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3csc(C)c3)CC2)C1 ZINC001716693324 1203526793 /nfs/dbraw/zinc/52/67/93/1203526793.db2.gz SCQLPVGEYWASLK-UHFFFAOYSA-N 0 3 304.459 3.151 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001716723301 1203532184 /nfs/dbraw/zinc/53/21/84/1203532184.db2.gz DJQRROVIYVXCGU-HXUWFJFHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001716728245 1203532964 /nfs/dbraw/zinc/53/29/64/1203532964.db2.gz QVKDXVKEDXBPEF-IBGZPJMESA-N 0 3 316.420 3.216 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](C)[C@H](C)CC)C2)CC1 ZINC001716727347 1203533168 /nfs/dbraw/zinc/53/31/68/1203533168.db2.gz AEGAACROOXKBKJ-IAGOWNOFSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](C)[C@@H](C)CC)C2)CC1 ZINC001716727346 1203533265 /nfs/dbraw/zinc/53/32/65/1203533265.db2.gz AEGAACROOXKBKJ-DLBZAZTESA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@](C)(CC)CCC)C2)C1 ZINC001716734451 1203533944 /nfs/dbraw/zinc/53/39/44/1203533944.db2.gz BKESBBRNSGFKTO-RTBURBONSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN(C(=O)c1ccoc1Cl)C1CCN(CC(=C)C)CC1 ZINC001716805221 1203545155 /nfs/dbraw/zinc/54/51/55/1203545155.db2.gz GXYHXYUMRCNKEP-UHFFFAOYSA-N 0 3 320.820 3.049 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@@H]1CC1(C)C)c1ccc2ccccc2c1 ZINC001716813072 1203546016 /nfs/dbraw/zinc/54/60/16/1203546016.db2.gz ZTOQMWWMWDSENH-OALUTQOASA-N 0 3 320.436 3.266 20 30 DGEDHN CCCC(=O)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001716813945 1203546635 /nfs/dbraw/zinc/54/66/35/1203546635.db2.gz RRCWQJUCOYRWCP-LJQANCHMSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001716843849 1203553543 /nfs/dbraw/zinc/55/35/43/1203553543.db2.gz QENNLAQUIIRHGC-HNAYVOBHSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001716852695 1203556511 /nfs/dbraw/zinc/55/65/11/1203556511.db2.gz LJVLYDMHOGPCNS-SCLBCKFNSA-N 0 3 322.399 3.225 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001716884367 1203561072 /nfs/dbraw/zinc/56/10/72/1203561072.db2.gz VJVBTXXSDQYPMX-BJMVGYQFSA-N 0 3 310.869 3.007 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC001716901147 1203566417 /nfs/dbraw/zinc/56/64/17/1203566417.db2.gz CHZVBGWOYDIZMD-GOSISDBHSA-N 0 3 318.848 3.195 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C=C1CCC1)c1ccccc1CC ZINC001716954477 1203569399 /nfs/dbraw/zinc/56/93/99/1203569399.db2.gz WPPWASIVQLYHFG-LJQANCHMSA-N 0 3 310.441 3.130 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC=C)CCCCC1 ZINC001717038275 1203580142 /nfs/dbraw/zinc/58/01/42/1203580142.db2.gz LITYYQLCTNAAKE-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)c1ccco1 ZINC001717113633 1203585948 /nfs/dbraw/zinc/58/59/48/1203585948.db2.gz NITRVYGTXLOGDH-HNNXBMFYSA-N 0 3 312.413 3.317 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CC=CCC1 ZINC001717114197 1203586493 /nfs/dbraw/zinc/58/64/93/1203586493.db2.gz ZPXCVIUUEJJABA-KRWDZBQOSA-N 0 3 310.441 3.114 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccc(-c3ccccc3)cc2)CCC1 ZINC001717161635 1203594031 /nfs/dbraw/zinc/59/40/31/1203594031.db2.gz MXXXQOGKLWEPBH-UHFFFAOYSA-N 0 3 318.420 3.229 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)CCCN(C)CC#CC)c1ccccc1 ZINC001717215232 1203605129 /nfs/dbraw/zinc/60/51/29/1203605129.db2.gz CGWXCZLMUHZUPL-SFHVURJKSA-N 0 3 312.457 3.150 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cccc(Cl)n2)C1 ZINC001717285949 1203612812 /nfs/dbraw/zinc/61/28/12/1203612812.db2.gz MEUKUXPNFZGMJS-HIFRSBDPSA-N 0 3 321.852 3.028 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC(C)(C)CC(F)F)C[C@H]1C ZINC001717334634 1203619911 /nfs/dbraw/zinc/61/99/11/1203619911.db2.gz XDXKAUQHYHDBQE-ZIAGYGMSSA-N 0 3 314.420 3.050 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccco2)CC1 ZINC001717354529 1203623338 /nfs/dbraw/zinc/62/33/38/1203623338.db2.gz DTFRAWMBYBIHQD-UHFFFAOYSA-N 0 3 310.825 3.206 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)CCC ZINC001717361434 1203625366 /nfs/dbraw/zinc/62/53/66/1203625366.db2.gz RTDDIXWUIZOUKA-KFKAGJAMSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CC(C)(C)C(F)(F)F ZINC001717375071 1203630002 /nfs/dbraw/zinc/63/00/02/1203630002.db2.gz UCUJRNLXEUQZSN-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001717394593 1203634404 /nfs/dbraw/zinc/63/44/04/1203634404.db2.gz QXCULARSWCIPIR-QQFBHYJXSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001717394344 1203634480 /nfs/dbraw/zinc/63/44/80/1203634480.db2.gz IBTZTIYARFCTPX-YMAMQOFZSA-N 0 3 312.885 3.440 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717407152 1203637920 /nfs/dbraw/zinc/63/79/20/1203637920.db2.gz PLDGKLYRUNKOBH-DXIMFJFMSA-N 0 3 317.408 3.036 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CC/C=C\c1ccccc1 ZINC001717538459 1203676616 /nfs/dbraw/zinc/67/66/16/1203676616.db2.gz JOVJAAZNYVLPDO-VPLQDYMCSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001717544931 1203678955 /nfs/dbraw/zinc/67/89/55/1203678955.db2.gz OLMHPSKNQMOENA-AWEZNQCLSA-N 0 3 311.429 3.071 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575537 1203683806 /nfs/dbraw/zinc/68/38/06/1203683806.db2.gz GJTIADOJWMHOKS-YOEHRIQHSA-N 0 3 316.445 3.187 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575537 1203683807 /nfs/dbraw/zinc/68/38/07/1203683807.db2.gz GJTIADOJWMHOKS-YOEHRIQHSA-N 0 3 316.445 3.187 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](C)CCCCC)C(C)(C)C1 ZINC001717585973 1203686771 /nfs/dbraw/zinc/68/67/71/1203686771.db2.gz BAMFGKCMMBKTMJ-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@@H](C)CCCCC)C(C)(C)C1 ZINC001717585974 1203686871 /nfs/dbraw/zinc/68/68/71/1203686871.db2.gz BAMFGKCMMBKTMJ-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCC(=O)N1C[C@@]2(C)CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001717631063 1203691684 /nfs/dbraw/zinc/69/16/84/1203691684.db2.gz BPSUKEMVGLAJOW-GASCZTMLSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC2(C1)CCCN(CC=C)C2)c1ccccc1 ZINC001717630319 1203691809 /nfs/dbraw/zinc/69/18/09/1203691809.db2.gz LSVVLOHIRILPSV-LJQANCHMSA-N 0 3 324.468 3.457 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001717664677 1203696356 /nfs/dbraw/zinc/69/63/56/1203696356.db2.gz ZQJYAMNAURMJPG-QJIMOZNHSA-N 0 3 317.408 3.038 20 30 DGEDHN CC(C)[C@H](C)C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001717687523 1203698867 /nfs/dbraw/zinc/69/88/67/1203698867.db2.gz YSQGIYJKESMPIG-CVEARBPZSA-N 0 3 315.461 3.225 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001717737468 1203707087 /nfs/dbraw/zinc/70/70/87/1203707087.db2.gz GKRMPHYBMKJIFP-WFASDCNBSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001717744525 1203708554 /nfs/dbraw/zinc/70/85/54/1203708554.db2.gz CYOURMVBHBPEJF-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001717788784 1203712263 /nfs/dbraw/zinc/71/22/63/1203712263.db2.gz XLKGFXIGEJESNU-DOTOQJQBSA-N 0 3 316.445 3.331 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001717798230 1203713504 /nfs/dbraw/zinc/71/35/04/1203713504.db2.gz KOFOMBUSTRIJRH-QAPCUYQASA-N 0 3 316.420 3.098 20 30 DGEDHN CCCCCC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001717820556 1203716234 /nfs/dbraw/zinc/71/62/34/1203716234.db2.gz TZNTYIJYWHUASS-PKOBYXMFSA-N 0 3 312.457 3.197 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001717825465 1203716751 /nfs/dbraw/zinc/71/67/51/1203716751.db2.gz GNEYCLVGTHDCCD-BEFAXECRSA-N 0 3 322.408 3.163 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001717834066 1203718612 /nfs/dbraw/zinc/71/86/12/1203718612.db2.gz ONEUAMHLHANZPM-WBVHZDCISA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccnc1)CC2 ZINC001717843694 1203720311 /nfs/dbraw/zinc/72/03/11/1203720311.db2.gz YKTXVTPXGZHOQF-PKOBYXMFSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2cccs2)[C@H]1C ZINC001717860494 1203724222 /nfs/dbraw/zinc/72/42/22/1203724222.db2.gz MDVINBGFLTVVMW-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(C(F)F)o1)C(C)C ZINC001717951782 1203734253 /nfs/dbraw/zinc/73/42/53/1203734253.db2.gz HBQHGLVPKPIFFO-UHFFFAOYSA-N 0 3 300.349 3.186 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001717999182 1203742258 /nfs/dbraw/zinc/74/22/58/1203742258.db2.gz WHRXJJQRNGQKIP-LMWSTFAQSA-N 0 3 310.825 3.105 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2cccc(Cl)n2)C1 ZINC001723116449 1203958179 /nfs/dbraw/zinc/95/81/79/1203958179.db2.gz QPHCZKLVIIEAJK-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2cccc(F)c2F)C1 ZINC001723115913 1203958210 /nfs/dbraw/zinc/95/82/10/1203958210.db2.gz IAJJPSZUUTZYNB-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001723429840 1203970853 /nfs/dbraw/zinc/97/08/53/1203970853.db2.gz PYJAGUGTNJNZEI-UKRRQHHQSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1coc2ccc(C)cc12 ZINC001723434640 1203971426 /nfs/dbraw/zinc/97/14/26/1203971426.db2.gz ZXKOWICGOHNNQL-INIZCTEOSA-N 0 3 312.413 3.050 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001723442569 1203972245 /nfs/dbraw/zinc/97/22/45/1203972245.db2.gz AMSMKCAJDSJZEX-TZMCWYRMSA-N 0 3 317.458 3.388 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001723452431 1203973644 /nfs/dbraw/zinc/97/36/44/1203973644.db2.gz VPGAGRBNLMIMPY-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001723462369 1203975656 /nfs/dbraw/zinc/97/56/56/1203975656.db2.gz DMLLOHDTGUDIPZ-FXAWDEMLSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1sccc1CC ZINC001723485227 1203978427 /nfs/dbraw/zinc/97/84/27/1203978427.db2.gz VXCGPSUJPBRKDB-DZGCQCFKSA-N 0 3 306.475 3.469 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001723545657 1203981622 /nfs/dbraw/zinc/98/16/22/1203981622.db2.gz WIJOBQMIWHSVRM-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN CCC[C@@H](CC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001723578812 1203983392 /nfs/dbraw/zinc/98/33/92/1203983392.db2.gz QGROENQTBZUMOW-QGZVFWFLSA-N 0 3 313.445 3.123 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001723659431 1203987558 /nfs/dbraw/zinc/98/75/58/1203987558.db2.gz CAVIAIQUJRXXCQ-HDICACEKSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C(C)(C)CC(C)C)C2)CC1 ZINC001723700166 1203988105 /nfs/dbraw/zinc/98/81/05/1203988105.db2.gz YDGAPYSVFFEDQI-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@]2(C1)CCCN(CC#CC)C2 ZINC001723680812 1203988451 /nfs/dbraw/zinc/98/84/51/1203988451.db2.gz QVCTYVRZNISTAS-HXUWFJFHSA-N 0 3 314.473 3.093 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001723680124 1203988499 /nfs/dbraw/zinc/98/84/99/1203988499.db2.gz RFRUEBWENKOKCD-PKOBYXMFSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)CCC=C(C)C)C2)C1 ZINC001723721916 1203990448 /nfs/dbraw/zinc/99/04/48/1203990448.db2.gz QYIKJRVPFBZVAV-ICSRJNTNSA-N 0 3 316.489 3.317 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)C1CCCC1)C1CCN(CC(=C)C)CC1 ZINC001724060713 1204002570 /nfs/dbraw/zinc/00/25/70/1204002570.db2.gz CWGXVYMUNFHLNG-KRWDZBQOSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](CC)C(C)C)C2 ZINC001724125106 1204006367 /nfs/dbraw/zinc/00/63/67/1204006367.db2.gz ASPHLTXUBSJWGQ-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001724141291 1204008395 /nfs/dbraw/zinc/00/83/95/1204008395.db2.gz QVPLCUMWUPVKEZ-CQSZACIVSA-N 0 3 306.372 3.266 20 30 DGEDHN CCCc1ccc(CN2CC[C@](C)(NC(=O)C#CC3CC3)C2)cc1 ZINC001724155883 1204010216 /nfs/dbraw/zinc/01/02/16/1204010216.db2.gz YACOIDRKWFDKMK-NRFANRHFSA-N 0 3 324.468 3.133 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001724174643 1204012160 /nfs/dbraw/zinc/01/21/60/1204012160.db2.gz KHFHMUHTWVNRRR-QFBILLFUSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001724185271 1204013088 /nfs/dbraw/zinc/01/30/88/1204013088.db2.gz WSLYDKMMUXOQRK-QFBILLFUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001724329247 1204021852 /nfs/dbraw/zinc/02/18/52/1204021852.db2.gz FCMREFIGPWBHJG-IBGZPJMESA-N 0 3 318.436 3.460 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(C)ccc2C)C1 ZINC001724342284 1204023751 /nfs/dbraw/zinc/02/37/51/1204023751.db2.gz GURQYCRPWZVRGI-FQEVSTJZSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC001724344297 1204024276 /nfs/dbraw/zinc/02/42/76/1204024276.db2.gz YYLHBTDFQKWRBP-QGZVFWFLSA-N 0 3 306.837 3.358 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(C)=C1CCC1 ZINC001724620008 1204034332 /nfs/dbraw/zinc/03/43/32/1204034332.db2.gz LZYOOUNIVFRCBM-UHFFFAOYSA-N 0 3 310.441 3.129 20 30 DGEDHN C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646027 1204035163 /nfs/dbraw/zinc/03/51/63/1204035163.db2.gz RAJFTVNSKDKBEB-IAGOWNOFSA-N 0 3 314.429 3.037 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646027 1204035165 /nfs/dbraw/zinc/03/51/65/1204035165.db2.gz RAJFTVNSKDKBEB-IAGOWNOFSA-N 0 3 314.429 3.037 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CCC=C(C)C ZINC001724651151 1204036322 /nfs/dbraw/zinc/03/63/22/1204036322.db2.gz HCSNBLZRXRKBTI-GBESFXJTSA-N 0 3 316.489 3.458 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001724721537 1204039872 /nfs/dbraw/zinc/03/98/72/1204039872.db2.gz CIIKQMDLBXLZKP-GJZGRUSLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001724721539 1204039904 /nfs/dbraw/zinc/03/99/04/1204039904.db2.gz CIIKQMDLBXLZKP-HUUCEWRRSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(C)CCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001724756519 1204044401 /nfs/dbraw/zinc/04/44/01/1204044401.db2.gz DKBXFNOGLJDFEO-UHFFFAOYSA-N 0 3 318.383 3.220 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ncccc2C)CC1 ZINC001724833230 1204051246 /nfs/dbraw/zinc/05/12/46/1204051246.db2.gz CAAUJQUEPMRKSO-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC=C)C1 ZINC001724865317 1204060969 /nfs/dbraw/zinc/06/09/69/1204060969.db2.gz FCQLHBMAWAXKLE-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CC#CC)C1 ZINC001724868955 1204061351 /nfs/dbraw/zinc/06/13/51/1204061351.db2.gz SPIBQLYLMLMTMC-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)CC(C)(C)C ZINC001725082166 1204090825 /nfs/dbraw/zinc/09/08/25/1204090825.db2.gz QZWCVHXQMRNHHK-VXGBXAGGSA-N 0 3 307.463 3.039 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1scnc1C ZINC001725108557 1204096620 /nfs/dbraw/zinc/09/66/20/1204096620.db2.gz MWMRWWLVNQWVQA-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ccc(OC)c(Cl)c1 ZINC001725155491 1204104975 /nfs/dbraw/zinc/10/49/75/1204104975.db2.gz LZYXZEKQHCRABM-CYBMUJFWSA-N 0 3 324.852 3.251 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001725164265 1204107893 /nfs/dbraw/zinc/10/78/93/1204107893.db2.gz FKFAECHFNKTNMY-CABCVRRESA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001725176918 1204112294 /nfs/dbraw/zinc/11/22/94/1204112294.db2.gz BCZKXZUSMRPPIW-WMZOPIPTSA-N 0 3 302.462 3.124 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725184586 1204114600 /nfs/dbraw/zinc/11/46/00/1204114600.db2.gz HBUZALSKHCWQNT-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CC[NH2+]CC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001725218173 1204121029 /nfs/dbraw/zinc/12/10/29/1204121029.db2.gz OPCBAKWKZJNIQO-UHFFFAOYSA-N 0 3 316.445 3.381 20 30 DGEDHN CCCC[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C(C)C ZINC001725229284 1204122303 /nfs/dbraw/zinc/12/23/03/1204122303.db2.gz OUNBTORCSCUGPY-MRXNPFEDSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001725261330 1204129482 /nfs/dbraw/zinc/12/94/82/1204129482.db2.gz WXZYZXYUJCESAR-KBPBESRZSA-N 0 3 320.864 3.456 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001725265825 1204130316 /nfs/dbraw/zinc/13/03/16/1204130316.db2.gz LPHVYTNVDZHQDS-DLBZAZTESA-N 0 3 314.473 3.186 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001725271304 1204130797 /nfs/dbraw/zinc/13/07/97/1204130797.db2.gz YQLWCSABGQIJKF-INIZCTEOSA-N 0 3 314.473 3.367 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001725363069 1204140960 /nfs/dbraw/zinc/14/09/60/1204140960.db2.gz BVAZRDFINQFKPH-NNUKFRKNSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2cccc(F)c2F)C1 ZINC001725363440 1204140983 /nfs/dbraw/zinc/14/09/83/1204140983.db2.gz DIVNINXHBMUZPA-CTYIDZIISA-N 0 3 322.399 3.306 20 30 DGEDHN C[C@@H](CCCNCC=C(Cl)Cl)NC(=O)C#CC(C)(C)C ZINC001725388464 1204144369 /nfs/dbraw/zinc/14/43/69/1204144369.db2.gz QBBYBLGRHLUIFO-LBPRGKRZSA-N 0 3 319.276 3.229 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001725413415 1204147040 /nfs/dbraw/zinc/14/70/40/1204147040.db2.gz NKCOWKCYTFQYIC-HNNXBMFYSA-N 0 3 320.864 3.345 20 30 DGEDHN C[C@H](CN(C)C(=O)CCC1CCC1)NCc1ccc(C#N)s1 ZINC001725481871 1204156416 /nfs/dbraw/zinc/15/64/16/1204156416.db2.gz QFKUTVDXIRFAPW-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001725503169 1204160655 /nfs/dbraw/zinc/16/06/55/1204160655.db2.gz GKVNDEWPKFDJQH-SUMWQHHRSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@H]1C ZINC001725559545 1204168025 /nfs/dbraw/zinc/16/80/25/1204168025.db2.gz XBESUENTRKMUBD-YPMHNXCESA-N 0 3 312.866 3.447 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001725580815 1204171693 /nfs/dbraw/zinc/17/16/93/1204171693.db2.gz GACZTDVMXCENCD-HOTGVXAUSA-N 0 3 324.424 3.266 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)/C=C\C(C)(C)C ZINC001725585707 1204172189 /nfs/dbraw/zinc/17/21/89/1204172189.db2.gz OTRSSANCJQVVPI-DLCGEFHDSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCCCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001725610375 1204178560 /nfs/dbraw/zinc/17/85/60/1204178560.db2.gz KDSDVBXQZQUGCF-IEBWSBKVSA-N 0 3 313.445 3.051 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(CCC)cc1)C(C)C ZINC001725730615 1204203335 /nfs/dbraw/zinc/20/33/35/1204203335.db2.gz HJVDOIJVCCNTJZ-UHFFFAOYSA-N 0 3 314.473 3.445 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001725736399 1204206925 /nfs/dbraw/zinc/20/69/25/1204206925.db2.gz MSFBDZUAEHFCAP-OAHLLOKOSA-N 0 3 319.474 3.206 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001725771615 1204218345 /nfs/dbraw/zinc/21/83/45/1204218345.db2.gz PDMFXNMANVETCZ-GNZRSQJKSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001731279434 1204359720 /nfs/dbraw/zinc/35/97/20/1204359720.db2.gz PORFEIBOQBCLIO-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC001731288358 1204363293 /nfs/dbraw/zinc/36/32/93/1204363293.db2.gz OMLOOTRVNHFJMK-OCCSQVGLSA-N 0 3 312.866 3.473 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001731353629 1204382549 /nfs/dbraw/zinc/38/25/49/1204382549.db2.gz UCUPEQLGKKHJDE-OAHLLOKOSA-N 0 3 306.475 3.228 20 30 DGEDHN CCCN(C(=O)C#CC(C)C)C1CCN(CC=C(C)C)CC1 ZINC001731383138 1204390332 /nfs/dbraw/zinc/39/03/32/1204390332.db2.gz ATTBJHQZOAQSMY-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CN(C)Cc2cncc(C)c2)C1 ZINC001731413506 1204403221 /nfs/dbraw/zinc/40/32/21/1204403221.db2.gz MAKXBVVXRNNLDO-QGZVFWFLSA-N 0 3 315.461 3.027 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001731415479 1204404247 /nfs/dbraw/zinc/40/42/47/1204404247.db2.gz OTBWJVTXBYDRKB-HXUWFJFHSA-N 0 3 324.468 3.175 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001731469396 1204423399 /nfs/dbraw/zinc/42/33/99/1204423399.db2.gz YYDUSDBFRRVSEW-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001731469398 1204423635 /nfs/dbraw/zinc/42/36/35/1204423635.db2.gz YYDUSDBFRRVSEW-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001731506320 1204437663 /nfs/dbraw/zinc/43/76/63/1204437663.db2.gz BIBAYKFKICOQER-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001731560748 1204461478 /nfs/dbraw/zinc/46/14/78/1204461478.db2.gz BGSGEZOEOPRWLU-HAYIEMCXSA-N 0 3 324.468 3.248 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cnoc2C)C1 ZINC001731560445 1204461901 /nfs/dbraw/zinc/46/19/01/1204461901.db2.gz UNSFYPRJTANRMF-GDBMZVCRSA-N 0 3 319.449 3.056 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1)CC ZINC001731587134 1204474200 /nfs/dbraw/zinc/47/42/00/1204474200.db2.gz VOUFDWWYUMOQSV-CYBMUJFWSA-N 0 3 317.408 3.038 20 30 DGEDHN C=CCC1(C(=O)NCCC[C@@H]2CCCN2CCF)CCCC1 ZINC001731761665 1204540400 /nfs/dbraw/zinc/54/04/00/1204540400.db2.gz WJNCSGYHGKMUDH-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001731813149 1204578282 /nfs/dbraw/zinc/57/82/82/1204578282.db2.gz LEDDCJYPUCTUND-AWEZNQCLSA-N 0 3 308.853 3.143 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001731814614 1204579822 /nfs/dbraw/zinc/57/98/22/1204579822.db2.gz FPTTWCRLFZYJAX-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN CCCCCCCN1CCC[C@H]1CNC(=O)c1cncs1 ZINC001731817704 1204582369 /nfs/dbraw/zinc/58/23/69/1204582369.db2.gz DITXJNRKCMMNJS-AWEZNQCLSA-N 0 3 309.479 3.308 20 30 DGEDHN CCCCCCCN1CCC[C@@H]1CNC(=O)c1cncs1 ZINC001731817705 1204583216 /nfs/dbraw/zinc/58/32/16/1204583216.db2.gz DITXJNRKCMMNJS-CQSZACIVSA-N 0 3 309.479 3.308 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001731856883 1204604729 /nfs/dbraw/zinc/60/47/29/1204604729.db2.gz IXLLFACCOQREQI-MRXNPFEDSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(CCC)s1)C1CC1 ZINC001731876443 1204618421 /nfs/dbraw/zinc/61/84/21/1204618421.db2.gz BHGWVJMLHTXXNH-UHFFFAOYSA-N 0 3 306.475 3.471 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)c2cccnc12)C1CC1 ZINC001731878693 1204619562 /nfs/dbraw/zinc/61/95/62/1204619562.db2.gz UZMHKVZFGBKMFV-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(Cc2ccccc2C)C2CC2)C1 ZINC001731882190 1204622083 /nfs/dbraw/zinc/62/20/83/1204622083.db2.gz YRVQCCUWFIXXEE-UHFFFAOYSA-N 0 3 312.457 3.432 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(CC)CCCC1)c1ccccc1 ZINC001732023338 1204652352 /nfs/dbraw/zinc/65/23/52/1204652352.db2.gz FPUAXAIENAIDBT-SFHVURJKSA-N 0 3 312.457 3.427 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccnc(C)c1)c1ccccc1 ZINC001732024288 1204653266 /nfs/dbraw/zinc/65/32/66/1204653266.db2.gz JPTQBWGTHCBRAJ-GOSISDBHSA-N 0 3 309.413 3.027 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001732048618 1204668590 /nfs/dbraw/zinc/66/85/90/1204668590.db2.gz IFAJDXLVWFQGIG-FQEVSTJZSA-N 0 3 324.468 3.223 20 30 DGEDHN CC/C=C(\C)C(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001732066688 1204677386 /nfs/dbraw/zinc/67/73/86/1204677386.db2.gz KTMVWYIXYPXGNZ-KHVWPYCOSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cnccc21 ZINC001732150567 1204714246 /nfs/dbraw/zinc/71/42/46/1204714246.db2.gz CZPZWGJXVPVQDE-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001732167743 1204723684 /nfs/dbraw/zinc/72/36/84/1204723684.db2.gz CHMPUGPDCMSHAP-GOSISDBHSA-N 0 3 314.473 3.494 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001732173483 1204728469 /nfs/dbraw/zinc/72/84/69/1204728469.db2.gz PABQYHITRWQVSH-MOPGFXCFSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(CC=C)CCCCC2)C1 ZINC001732174200 1204730070 /nfs/dbraw/zinc/73/00/70/1204730070.db2.gz ACSHRKJCPJAVQV-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC001732318386 1204789794 /nfs/dbraw/zinc/78/97/94/1204789794.db2.gz ZPYDDGNTFFWWKL-OAHLLOKOSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cncs2)CCCC1 ZINC001732394862 1204818120 /nfs/dbraw/zinc/81/81/20/1204818120.db2.gz BTSXNFKCSJISEV-MRXNPFEDSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cnc(C)s1)CC(C)C ZINC001732466651 1204857973 /nfs/dbraw/zinc/85/79/73/1204857973.db2.gz PJBCFPXKLYRELZ-AWEZNQCLSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2nc(C)cs2)[C@H](C)C1 ZINC001732487619 1204868484 /nfs/dbraw/zinc/86/84/84/1204868484.db2.gz MNERFQFPAWKHGQ-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2ccc(C)nc21 ZINC001732584534 1204909408 /nfs/dbraw/zinc/90/94/08/1204909408.db2.gz KVPNTYPSXYTYMA-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001732588603 1204910690 /nfs/dbraw/zinc/91/06/90/1204910690.db2.gz PAQHDKYMSTWJNT-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)CCc1cccs1 ZINC001732588232 1204911248 /nfs/dbraw/zinc/91/12/48/1204911248.db2.gz JEPRIDHLMFXQIV-UHFFFAOYSA-N 0 3 308.491 3.283 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC001732595948 1204916399 /nfs/dbraw/zinc/91/63/99/1204916399.db2.gz XGBOCMJMNBJFHX-GFCCVEGCSA-N 0 3 314.882 3.471 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)COc1ccccc1C(C)C ZINC001732598677 1204918408 /nfs/dbraw/zinc/91/84/08/1204918408.db2.gz RJLDJNVHKLZOCG-UHFFFAOYSA-N 0 3 318.461 3.155 20 30 DGEDHN CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001732600737 1204919431 /nfs/dbraw/zinc/91/94/31/1204919431.db2.gz SOGKKKOLPHIMSN-VQTJNVASSA-N 0 3 324.468 3.151 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001732600889 1204919569 /nfs/dbraw/zinc/91/95/69/1204919569.db2.gz YAGHUJMSNPGRHL-QGZVFWFLSA-N 0 3 302.462 3.140 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C)CCC(F)(F)CC1 ZINC001732706826 1204931496 /nfs/dbraw/zinc/93/14/96/1204931496.db2.gz UKCXTAVMSPDJPX-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1nc(C)cs1 ZINC001732725463 1204934584 /nfs/dbraw/zinc/93/45/84/1204934584.db2.gz FPNDAPKDJPNFPU-WBMJQRKESA-N 0 3 309.479 3.038 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2cccc(C)c2s1 ZINC001732780909 1204942740 /nfs/dbraw/zinc/94/27/40/1204942740.db2.gz ABGHUAASQFPREI-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](CC)Cc1ccccc1C ZINC001732806643 1204946427 /nfs/dbraw/zinc/94/64/27/1204946427.db2.gz HZWHQAFQYUHBKH-SFHVURJKSA-N 0 3 314.473 3.025 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001732899767 1204956595 /nfs/dbraw/zinc/95/65/95/1204956595.db2.gz LDWYINXROUOUSW-HPFMTEOYSA-N 0 3 304.409 3.190 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1ccnc(Cl)c1 ZINC001732906676 1204958147 /nfs/dbraw/zinc/95/81/47/1204958147.db2.gz IOHLRYAICCMOHR-WAYWQWQTSA-N 0 3 321.852 3.099 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1ccc(OC)c(F)c1 ZINC001732971115 1204969497 /nfs/dbraw/zinc/96/94/97/1204969497.db2.gz YBMZEPJXNAHYFB-ACJLOTCBSA-N 0 3 322.424 3.031 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001733002473 1204978806 /nfs/dbraw/zinc/97/88/06/1204978806.db2.gz RIMYRCIUETYUPB-IRXDYDNUSA-N 0 3 314.473 3.205 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1)CC ZINC001733031788 1204990040 /nfs/dbraw/zinc/99/00/40/1204990040.db2.gz CZFKVTLQHIVWLH-HNNXBMFYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001733216600 1205047828 /nfs/dbraw/zinc/04/78/28/1205047828.db2.gz WWKCVXMTANNRME-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001733221506 1205052488 /nfs/dbraw/zinc/05/24/88/1205052488.db2.gz CUWQEXLYWAJDSD-HOCLYGCPSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cccc(Cl)c1F ZINC001733226613 1205055095 /nfs/dbraw/zinc/05/50/95/1205055095.db2.gz GWCUUNUYMWDHIQ-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC(C1CCC1)C1CCC1 ZINC001733227353 1205056839 /nfs/dbraw/zinc/05/68/39/1205056839.db2.gz XQKJYUHBZQZTJV-QGZVFWFLSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC001733229602 1205057631 /nfs/dbraw/zinc/05/76/31/1205057631.db2.gz LFNQTRSLOGRPAM-UONOGXRCSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001733229238 1205057644 /nfs/dbraw/zinc/05/76/44/1205057644.db2.gz VVFNQKUULYWCSZ-WMLDXEAASA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](CC)Cc1ccccc1C ZINC001733227851 1205058266 /nfs/dbraw/zinc/05/82/66/1205058266.db2.gz BCWGZVLEUUCMCF-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001733235871 1205061951 /nfs/dbraw/zinc/06/19/51/1205061951.db2.gz FDGALOHMJOFVKM-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001733236630 1205063530 /nfs/dbraw/zinc/06/35/30/1205063530.db2.gz JZYFQNNETYOTHL-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC=C)CCCC1 ZINC001733275830 1205078012 /nfs/dbraw/zinc/07/80/12/1205078012.db2.gz QJZHOSPDLZXGFQ-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001733289829 1205083529 /nfs/dbraw/zinc/08/35/29/1205083529.db2.gz UVHSXRCAWURXFT-WMZOPIPTSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001733295534 1205085752 /nfs/dbraw/zinc/08/57/52/1205085752.db2.gz MTRUYYLOEKKBSI-HKUYNNGSSA-N 0 3 322.468 3.427 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CN[C@H](C)c1ccccc1F ZINC001733336790 1205099447 /nfs/dbraw/zinc/09/94/47/1205099447.db2.gz DABBISUQNYRVFT-CABCVRRESA-N 0 3 304.409 3.434 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)C1CCC1)C1CCN(CC=C(C)C)CC1 ZINC001733369304 1205108034 /nfs/dbraw/zinc/10/80/34/1205108034.db2.gz PREFAVDKBKZARF-KRWDZBQOSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCNC[C@@H](NC(=O)CCCC)c1ccc2ccccc2c1 ZINC001733374419 1205108694 /nfs/dbraw/zinc/10/86/94/1205108694.db2.gz DMAIGZSPUJMXIM-LJQANCHMSA-N 0 3 308.425 3.410 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001733413020 1205124730 /nfs/dbraw/zinc/12/47/30/1205124730.db2.gz PYIOAJWXPOFVMS-WBMJQRKESA-N 0 3 324.877 3.109 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001733463345 1205144510 /nfs/dbraw/zinc/14/45/10/1205144510.db2.gz BTUAYKRAUVCHLA-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001733463773 1205145405 /nfs/dbraw/zinc/14/54/05/1205145405.db2.gz SVGCVBKAFXLSFC-HXUWFJFHSA-N 0 3 312.457 3.159 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccsc2Cl)C1 ZINC001733465975 1205146288 /nfs/dbraw/zinc/14/62/88/1205146288.db2.gz SZSLOVODTIEKJY-MRXNPFEDSA-N 0 3 324.877 3.257 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(CF)cc2)C1 ZINC001733467959 1205147167 /nfs/dbraw/zinc/14/71/67/1205147167.db2.gz KECGLXCPBLAYRR-IBGZPJMESA-N 0 3 316.420 3.011 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccoc1C)c1ccccc1CC ZINC001733515266 1205150970 /nfs/dbraw/zinc/15/09/70/1205150970.db2.gz UWWVBUNFHBGOII-LJQANCHMSA-N 0 3 324.424 3.234 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@@H](C)NCc2csc(C)n2)C1 ZINC001733525171 1205154724 /nfs/dbraw/zinc/15/47/24/1205154724.db2.gz BQEFCEPDTLDGLE-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C/Cl)C1 ZINC001733525138 1205154921 /nfs/dbraw/zinc/15/49/21/1205154921.db2.gz BEQNKOQQOWZTIT-GOPMFQSKSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2nc(C)cs2)C1 ZINC001733532576 1205155892 /nfs/dbraw/zinc/15/58/92/1205155892.db2.gz ZQKOTLPBYZOSMB-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](CC)CCCC)C[C@@H]2C1 ZINC001733579277 1205168052 /nfs/dbraw/zinc/16/80/52/1205168052.db2.gz CYPIOVPFXSMQEG-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2CCC(F)(F)F ZINC001733600084 1205170007 /nfs/dbraw/zinc/17/00/07/1205170007.db2.gz QDVZTEOUYZFWRB-ZIAGYGMSSA-N 0 3 318.383 3.360 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001733654260 1205177390 /nfs/dbraw/zinc/17/73/90/1205177390.db2.gz HHNPLZNEVSYTJV-LBPRGKRZSA-N 0 3 320.811 3.003 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](CC)SC ZINC001733676272 1205182041 /nfs/dbraw/zinc/18/20/41/1205182041.db2.gz BHUUNUKRFMJLCB-MRXNPFEDSA-N 0 3 306.475 3.062 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)c1cccnc1 ZINC001733680237 1205182535 /nfs/dbraw/zinc/18/25/35/1205182535.db2.gz HSNSTMPQQRLJMD-INIZCTEOSA-N 0 3 323.440 3.119 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001733761468 1205202478 /nfs/dbraw/zinc/20/24/78/1205202478.db2.gz SZOAYVLFPQROCW-WHXUGTBJSA-N 0 3 324.468 3.169 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC ZINC001733808458 1205222780 /nfs/dbraw/zinc/22/27/80/1205222780.db2.gz HCJVYAXBWDKTEF-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1c2ccccc2CCN1CCC ZINC001733906547 1205249976 /nfs/dbraw/zinc/24/99/76/1205249976.db2.gz AMRCGBZIKOQTSW-SFHVURJKSA-N 0 3 300.446 3.468 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)CCC ZINC001733922560 1205255152 /nfs/dbraw/zinc/25/51/52/1205255152.db2.gz ZRLIPQIHKNSDIZ-QZTJIDSGSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CC1(c2ccccc2)CC1 ZINC001733929305 1205259040 /nfs/dbraw/zinc/25/90/40/1205259040.db2.gz ONRUKAZSEVHDIC-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(OC)c1 ZINC001733937106 1205264975 /nfs/dbraw/zinc/26/49/75/1205264975.db2.gz NGXVGMJDNYSLOW-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1C ZINC001733936453 1205265401 /nfs/dbraw/zinc/26/54/01/1205265401.db2.gz HVNIUOQNIKQXTH-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(Cl)nc2)C1 ZINC001733988124 1205279666 /nfs/dbraw/zinc/27/96/66/1205279666.db2.gz MORVBMQBXAHGMY-STQMWFEESA-N 0 3 321.852 3.074 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001733994588 1205282486 /nfs/dbraw/zinc/28/24/86/1205282486.db2.gz IGFZAPTXCZYFJH-MNOVXSKESA-N 0 3 307.265 3.391 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001733999779 1205284059 /nfs/dbraw/zinc/28/40/59/1205284059.db2.gz VZKWFIDPRTVTOR-IRXDYDNUSA-N 0 3 314.473 3.347 20 30 DGEDHN C/C=C(\C)C(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001734016815 1205289528 /nfs/dbraw/zinc/28/95/28/1205289528.db2.gz OZINWGQNQZEFNN-GIDUJCDVSA-N 0 3 313.445 3.099 20 30 DGEDHN C[C@H](c1cccc(F)c1)N(C)[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001734035513 1205297965 /nfs/dbraw/zinc/29/79/65/1205297965.db2.gz OTQQCQOWXKXGHQ-LSDHHAIUSA-N 0 3 318.436 3.373 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001734123866 1205330209 /nfs/dbraw/zinc/33/02/09/1205330209.db2.gz IUSIUAIHOUYWLH-CVAIRZPRSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(F)cc2)C(C)(C)C1 ZINC001734147549 1205335281 /nfs/dbraw/zinc/33/52/81/1205335281.db2.gz CYUAYHVIZXGWIH-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)CCCCC)C[C@]2(C)C1 ZINC001734207972 1205343902 /nfs/dbraw/zinc/34/39/02/1205343902.db2.gz WNPNYBOQMOFMPP-RLLQIKCJSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001734251540 1205349667 /nfs/dbraw/zinc/34/96/67/1205349667.db2.gz RWAUMEVKWCRWMZ-KBPBESRZSA-N 0 3 300.874 3.440 20 30 DGEDHN CN(C(=O)CC1(C)CC1)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001734302828 1205359844 /nfs/dbraw/zinc/35/98/44/1205359844.db2.gz WRZRHGOZVNSYIJ-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001734347389 1205369029 /nfs/dbraw/zinc/36/90/29/1205369029.db2.gz QCQDSHCRMMPQHZ-PKOBYXMFSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001734419445 1205374553 /nfs/dbraw/zinc/37/45/53/1205374553.db2.gz PGJYUCVQIRFUPC-DOTOQJQBSA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001734497462 1205387494 /nfs/dbraw/zinc/38/74/94/1205387494.db2.gz RIOVKGRCODCEOM-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@](C)(CC)CCC)CC1 ZINC001734579925 1205399901 /nfs/dbraw/zinc/39/99/01/1205399901.db2.gz LMJYLLJYGABTOO-APWZRJJASA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C2(CCC)CC2)CC[C@H]1C(F)(F)F ZINC001734590146 1205401832 /nfs/dbraw/zinc/40/18/32/1205401832.db2.gz UNMJWDVWXQCTLZ-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CCC)CC[C@@H]1C(F)(F)F ZINC001734588432 1205401892 /nfs/dbraw/zinc/40/18/92/1205401892.db2.gz BZKFPKLGPMYWAG-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN CC#CCCCC(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001734607630 1205405272 /nfs/dbraw/zinc/40/52/72/1205405272.db2.gz YZMFZLISAGBNIS-KRWDZBQOSA-N 0 3 322.468 3.289 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H]3C=CCCC3)CC2)CC1 ZINC001734607611 1205405318 /nfs/dbraw/zinc/40/53/18/1205405318.db2.gz YJGAYRBXZGKXEW-KRWDZBQOSA-N 0 3 314.473 3.117 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)CCCC)CC2)CC1 ZINC001734606077 1205405424 /nfs/dbraw/zinc/40/54/24/1205405424.db2.gz QNEGGPRKEKZLJB-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@H](C)CN1C ZINC001164630849 719250586 /nfs/dbraw/zinc/25/05/86/719250586.db2.gz BMXJGDVTMUULOL-VXGBXAGGSA-N 0 3 314.820 3.289 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cccc(CC)c1)C(C)C ZINC001667473087 1197352050 /nfs/dbraw/zinc/35/20/50/1197352050.db2.gz HUPFCDJKBRSTCM-QGZVFWFLSA-N 0 3 322.880 3.274 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2c(C)nsc2C)CC1 ZINC001669658182 1197468726 /nfs/dbraw/zinc/46/87/26/1197468726.db2.gz ZYQYMJBKVFLPNC-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001282295349 1109480630 /nfs/dbraw/zinc/48/06/30/1109480630.db2.gz VPSASXGFUMPXCJ-UONOGXRCSA-N 0 3 318.864 3.341 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001266252327 1081580278 /nfs/dbraw/zinc/58/02/78/1081580278.db2.gz RNARLJSLUMCLDG-OAHLLOKOSA-N 0 3 306.475 3.471 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001266280820 1081617122 /nfs/dbraw/zinc/61/71/22/1081617122.db2.gz UWPDYGHFWVLRBR-HNNXBMFYSA-N 0 3 306.425 3.019 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1csc(C)n1 ZINC001169696411 1081631532 /nfs/dbraw/zinc/63/15/32/1081631532.db2.gz HIXLGFKPQBHQIS-CYBMUJFWSA-N 0 3 309.479 3.182 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001266310945 1081656032 /nfs/dbraw/zinc/65/60/32/1081656032.db2.gz OJNZVIPKVCQRDX-HNNXBMFYSA-N 0 3 307.438 3.066 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cc3ccncc3s2)C1 ZINC001266323148 1081665995 /nfs/dbraw/zinc/66/59/95/1081665995.db2.gz VXJLURFQMULVRL-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN(CCN1CCC2(CC(F)(F)C2)CC1)C(=O)OCC ZINC001209016902 1081672927 /nfs/dbraw/zinc/67/29/27/1081672927.db2.gz HRPPTPPVPJOOOC-UHFFFAOYSA-N 0 3 316.392 3.142 20 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IOLOZWYWUXKZKA-AWEZNQCLSA-N 0 3 308.853 3.410 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001266464552 1081860705 /nfs/dbraw/zinc/86/07/05/1081860705.db2.gz CLWMVRIEWIRSTH-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1 ZINC001266486297 1081888213 /nfs/dbraw/zinc/88/82/13/1081888213.db2.gz JQTGHYDPAOKATN-CALCHBBNSA-N 0 3 301.434 3.050 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001266488596 1081889817 /nfs/dbraw/zinc/88/98/17/1081889817.db2.gz LWZFUHFQPIKYKQ-VXGBXAGGSA-N 0 3 312.866 3.272 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)(F)F ZINC001266489431 1081890570 /nfs/dbraw/zinc/89/05/70/1081890570.db2.gz FARYUERQJJRROW-OKILXGFUSA-N 0 3 300.393 3.063 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@H]3C2)CCCC1 ZINC001279416078 1081892065 /nfs/dbraw/zinc/89/20/65/1081892065.db2.gz LERAULZHNMPFDD-FGPQALJGSA-N 0 3 322.880 3.266 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C 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310.482 3.105 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001266544818 1081977713 /nfs/dbraw/zinc/97/77/13/1081977713.db2.gz JFVAWSQJUWCHNF-ZWKOTPCHSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccccc2)CCCCC1 ZINC001115385853 1082003853 /nfs/dbraw/zinc/00/38/53/1082003853.db2.gz IPUCWVSNOMAGTF-UHFFFAOYSA-N 0 3 306.837 3.461 20 30 DGEDHN CCCN(CCNC(=O)C1(CC)CC1)Cc1ccc(C#N)cc1 ZINC001266571235 1082012270 /nfs/dbraw/zinc/01/22/70/1082012270.db2.gz LZVGUIXBMJORAE-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001086563067 1082023101 /nfs/dbraw/zinc/02/31/01/1082023101.db2.gz WGLSULDAZKWUAB-NWMRNGAKSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)c1ccccc1C ZINC001266579466 1082025591 /nfs/dbraw/zinc/02/55/91/1082025591.db2.gz QJKYRVONESJJBE-UHFFFAOYSA-N 0 3 314.473 3.124 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(CCC)CC2)C12CCC2 ZINC001203396428 1082044492 /nfs/dbraw/zinc/04/44/92/1082044492.db2.gz UNQGSQRJLCXYTF-ZIAGYGMSSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C)c(F)cc1F)C1CC1 ZINC001266597318 1082048250 /nfs/dbraw/zinc/04/82/50/1082048250.db2.gz ZPHIIKJHSXFDNW-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001112938548 1082056674 /nfs/dbraw/zinc/05/66/74/1082056674.db2.gz MNKFMOVTJDYRKG-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN(CCNC(=O)C12CCC(CC1)C2(C)C)C1CC1 ZINC001266614296 1082073345 /nfs/dbraw/zinc/07/33/45/1082073345.db2.gz ZSWDGBBKIXNJCQ-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC001113025182 1082093142 /nfs/dbraw/zinc/09/31/42/1082093142.db2.gz GSYGPEJWBXPAMC-KRWDZBQOSA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001283091807 1082167214 /nfs/dbraw/zinc/16/72/14/1082167214.db2.gz LVSDSRFSDYQLME-QCEMKRCNSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC001113391633 1082194427 /nfs/dbraw/zinc/19/44/27/1082194427.db2.gz MITKQLPWKOAICT-QGZVFWFLSA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccsc2C)CC1 ZINC001113404022 1082199294 /nfs/dbraw/zinc/19/92/94/1082199294.db2.gz XNZQJVZQMSXLJH-CQSZACIVSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CCCN(CC#CC)C2)CCCCC1 ZINC001266763585 1082201091 /nfs/dbraw/zinc/20/10/91/1082201091.db2.gz GHNPCDDHDYZIIV-SFHVURJKSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC001113546652 1082244982 /nfs/dbraw/zinc/24/49/82/1082244982.db2.gz DMWXMEWVKCVPHX-CVEARBPZSA-N 0 3 304.434 3.272 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC001113566321 1082252891 /nfs/dbraw/zinc/25/28/91/1082252891.db2.gz PFVSNBSUFIAJCF-INIZCTEOSA-N 0 3 318.436 3.176 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001113617777 1082266631 /nfs/dbraw/zinc/26/66/31/1082266631.db2.gz HFIPTWZRZUZMEV-KRWDZBQOSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001266853017 1082266896 /nfs/dbraw/zinc/26/68/96/1082266896.db2.gz CZBQOKWGCRYDDG-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CCC(C)(C)C)CC1 ZINC001167490105 1082281200 /nfs/dbraw/zinc/28/12/00/1082281200.db2.gz NXNJUBLRDMUBJX-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCCCOCC)CC1 ZINC001113706365 1082287524 /nfs/dbraw/zinc/28/75/24/1082287524.db2.gz CRNSCMFXDYJXEB-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnccc2C)C1 ZINC001266893018 1082312341 /nfs/dbraw/zinc/31/23/41/1082312341.db2.gz PCTOXJXXENWDHW-SJORKVTESA-N 0 3 315.461 3.073 20 30 DGEDHN CC[C@@H](Cc1ccc2c(c1)OCO2)NCC1(C#N)CCCC1 ZINC001170403240 1082365148 /nfs/dbraw/zinc/36/51/48/1082365148.db2.gz DDIPZKXNQGCBPX-HNNXBMFYSA-N 0 3 300.402 3.410 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1nc(C)cs1 ZINC001170426010 1082393486 /nfs/dbraw/zinc/39/34/86/1082393486.db2.gz SASIATSECWZVIV-CQSZACIVSA-N 0 3 321.490 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001086612644 1082401528 /nfs/dbraw/zinc/40/15/28/1082401528.db2.gz ASBYQDJADIOTJN-IPMKNSEASA-N 0 3 324.468 3.337 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)c1ccccc1-c1ccccc1 ZINC001266988717 1082408542 /nfs/dbraw/zinc/40/85/42/1082408542.db2.gz HPTYXWCLBGRMTD-MRXNPFEDSA-N 0 3 306.409 3.085 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc3c(c2)CCC3)C1 ZINC001480909533 1082420342 /nfs/dbraw/zinc/42/03/42/1082420342.db2.gz PFSOWHSDQUDALA-UHFFFAOYSA-N 0 3 312.457 3.080 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001267015608 1082433906 /nfs/dbraw/zinc/43/39/06/1082433906.db2.gz IQHGISZKQOHSRE-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC001267087622 1082493514 /nfs/dbraw/zinc/49/35/14/1082493514.db2.gz UMSWQPDKRCPBCH-ZIAGYGMSSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)CC2(C)CC2)cc1 ZINC001267096766 1082504905 /nfs/dbraw/zinc/50/49/05/1082504905.db2.gz XPMUTHDIDFQIAT-UHFFFAOYSA-N 0 3 320.864 3.378 20 30 DGEDHN CCCCCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC001167576375 1082541730 /nfs/dbraw/zinc/54/17/30/1082541730.db2.gz HGSSFNVIMOMSDX-UHFFFAOYSA-N 0 3 310.482 3.108 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1ccccc1C ZINC001167583944 1082559834 /nfs/dbraw/zinc/55/98/34/1082559834.db2.gz LUJACXGWOZTAEP-AWEZNQCLSA-N 0 3 308.853 3.337 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CN1CCC[C@H](C#N)CC1 ZINC001207315489 1082583953 /nfs/dbraw/zinc/58/39/53/1082583953.db2.gz RLLKNOAKPAEZNO-JKSUJKDBSA-N 0 3 321.465 3.402 20 30 DGEDHN Cn1cccc1[C@@H]1CCCCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001167633982 1082627951 /nfs/dbraw/zinc/62/79/51/1082627951.db2.gz HBHUPCKKXCJTKT-RBUKOAKNSA-N 0 3 309.413 3.157 20 30 DGEDHN CC1(CC(=O)NCCNCc2ccc(C#N)s2)CCCCC1 ZINC001131140267 1082646132 /nfs/dbraw/zinc/64/61/32/1082646132.db2.gz IYXVSWHWQZYREH-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC=C(C)C)C2)C1 ZINC001131677373 1082704893 /nfs/dbraw/zinc/70/48/93/1082704893.db2.gz MAZBOHTWCFEYCQ-PKOBYXMFSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC001267259596 1082716748 /nfs/dbraw/zinc/71/67/48/1082716748.db2.gz CWHJJOCUYBGQEH-INIZCTEOSA-N 0 3 312.413 3.480 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CC2CCCCC2)CC[C@@H]1C ZINC001131780352 1082729595 /nfs/dbraw/zinc/72/95/95/1082729595.db2.gz OQJVBCNSNNRDGS-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001493303655 1082742377 /nfs/dbraw/zinc/74/23/77/1082742377.db2.gz DDRVMMIBYWFEQU-DLBZAZTESA-N 0 3 304.478 3.076 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001267282297 1082746222 /nfs/dbraw/zinc/74/62/22/1082746222.db2.gz PGCALSIWJJMNHL-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)C(=O)NCCCNc1cccc(CN(CC)CC)c1F ZINC001167671543 1082758511 /nfs/dbraw/zinc/75/85/11/1082758511.db2.gz HPQPAPDMXLKEMG-UHFFFAOYSA-N 0 3 321.440 3.162 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001131973020 1082779808 /nfs/dbraw/zinc/77/98/08/1082779808.db2.gz XFSQTRCBJAZBGU-PKOBYXMFSA-N 0 3 312.457 3.349 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccccc1C(C)(C)C ZINC001267315586 1082783284 /nfs/dbraw/zinc/78/32/84/1082783284.db2.gz ORNXCKZXVMORIG-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001132068798 1082807167 /nfs/dbraw/zinc/80/71/67/1082807167.db2.gz JSCPRSWGVGSAIC-LSDHHAIUSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132072779 1082808540 /nfs/dbraw/zinc/80/85/40/1082808540.db2.gz OKHPQYWBNUHPQB-IRXDYDNUSA-N 0 3 310.482 3.129 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC2CCC2)C1 ZINC001132073165 1082809913 /nfs/dbraw/zinc/80/99/13/1082809913.db2.gz UIDCMNZMYCKWIG-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc(Cl)c[nH]1)c1ccccc1 ZINC001267351790 1082827139 /nfs/dbraw/zinc/82/71/39/1082827139.db2.gz VUCGMVGIHISGFW-MRXNPFEDSA-N 0 3 317.820 3.305 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc(Cl)c[nH]1)c1ccccc1 ZINC001267351788 1082827379 /nfs/dbraw/zinc/82/73/79/1082827379.db2.gz VUCGMVGIHISGFW-INIZCTEOSA-N 0 3 317.820 3.305 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)cc2)CC[C@@H]1C ZINC001132160766 1082831442 /nfs/dbraw/zinc/83/14/42/1082831442.db2.gz RBPXJEIGDXJVIL-FUHWJXTLSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(Cl)cc2)CC[C@H]1C ZINC001132207086 1082838998 /nfs/dbraw/zinc/83/89/98/1082838998.db2.gz QNCAUWYBSALDGT-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc[nH]c1C(C)C)c1ccccc1 ZINC001267370705 1082840652 /nfs/dbraw/zinc/84/06/52/1082840652.db2.gz SKJRRVVLFYDNNK-GOSISDBHSA-N 0 3 323.440 3.222 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cccc(C)c2)CC[C@@H]1C ZINC001132206801 1082843685 /nfs/dbraw/zinc/84/36/85/1082843685.db2.gz NQXAFBBTIHJZBM-PKOBYXMFSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132217649 1082844602 /nfs/dbraw/zinc/84/46/02/1082844602.db2.gz FHQSTVBGDKKUHI-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C(C1CC1)C1CC1)c1ccccc1 ZINC001267377943 1082847480 /nfs/dbraw/zinc/84/74/80/1082847480.db2.gz UWNTXIWUNPSLHZ-GOSISDBHSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC001267382742 1082856632 /nfs/dbraw/zinc/85/66/32/1082856632.db2.gz SYPZDHWBSOIFQP-IBGZPJMESA-N 0 3 319.408 3.415 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132301748 1082871603 /nfs/dbraw/zinc/87/16/03/1082871603.db2.gz FMIPVCMBPUHFNM-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(CCOCCCC)C2)C1 ZINC001132288944 1082872153 /nfs/dbraw/zinc/87/21/53/1082872153.db2.gz ZLQOYYWYFOFFRX-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC/C=C\CC)C1 ZINC001267422347 1082876825 /nfs/dbraw/zinc/87/68/25/1082876825.db2.gz BDTLDRGKYMIBIY-YKZUCCNHSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2cc(F)ccc2C)CCC1 ZINC001267424990 1082878737 /nfs/dbraw/zinc/87/87/37/1082878737.db2.gz JOXVDVLLYWJWBC-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccc(F)cc2)CC[C@H]1C ZINC001132327594 1082880717 /nfs/dbraw/zinc/88/07/17/1082880717.db2.gz RKZITCAYFZZXBX-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccc(F)cc2)CC[C@@H]1C ZINC001132327593 1082880845 /nfs/dbraw/zinc/88/08/45/1082880845.db2.gz RKZITCAYFZZXBX-MAUKXSAKSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132330046 1082881810 /nfs/dbraw/zinc/88/18/10/1082881810.db2.gz AGPGQXQSPGRWEJ-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132331157 1082882876 /nfs/dbraw/zinc/88/28/76/1082882876.db2.gz MANNCAKEUVTZJL-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104515084 1082887164 /nfs/dbraw/zinc/88/71/64/1082887164.db2.gz UAWNNGHKVWUEHU-QIRDZLTKSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001132398636 1082898814 /nfs/dbraw/zinc/89/88/14/1082898814.db2.gz ICTQJZJNVPJXQC-LLVKDONJSA-N 0 3 312.816 3.458 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)CC[C@H]1C ZINC001132453361 1082916065 /nfs/dbraw/zinc/91/60/65/1082916065.db2.gz NWGFZNLZHVHYBT-OLZOCXBDSA-N 0 3 302.409 3.213 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)CC[C@@H]1C ZINC001132453363 1082916293 /nfs/dbraw/zinc/91/62/93/1082916293.db2.gz NWGFZNLZHVHYBT-STQMWFEESA-N 0 3 302.409 3.213 20 30 DGEDHN CC(C)=CCN1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132504141 1082929147 /nfs/dbraw/zinc/92/91/47/1082929147.db2.gz GJOBEFWVKOCFHW-QUCCMNQESA-N 0 3 324.468 3.364 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCCF)C2)CCCCC1 ZINC001132528307 1082935544 /nfs/dbraw/zinc/93/55/44/1082935544.db2.gz BKHSEVRZSKSRMJ-SJORKVTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@H]1C ZINC001132530352 1082935638 /nfs/dbraw/zinc/93/56/38/1082935638.db2.gz XFLWORYTZWRIDS-ZIAGYGMSSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@@H]2CCN(C[C@@H](C)OC)C2)CC1 ZINC001267482644 1082939607 /nfs/dbraw/zinc/93/96/07/1082939607.db2.gz ULTJHVLDMKPJIR-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001132569782 1082948362 /nfs/dbraw/zinc/94/83/62/1082948362.db2.gz YPGDIBWCRHJJTI-MNOVXSKESA-N 0 3 300.855 3.066 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001132569781 1082948491 /nfs/dbraw/zinc/94/84/91/1082948491.db2.gz YPGDIBWCRHJJTI-GHMZBOCLSA-N 0 3 300.855 3.066 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132573530 1082950221 /nfs/dbraw/zinc/95/02/21/1082950221.db2.gz OXEJUQHVBRXSGJ-OLZOCXBDSA-N 0 3 324.852 3.013 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)F)c1ccc(C(C)C)cc1 ZINC001267512696 1082971152 /nfs/dbraw/zinc/97/11/52/1082971152.db2.gz RQROLUMVDWZVSW-QGZVFWFLSA-N 0 3 318.436 3.328 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132659405 1082973383 /nfs/dbraw/zinc/97/33/83/1082973383.db2.gz UWKYSIYDOORRPR-HOTGVXAUSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1cc2ccccc2o1 ZINC001132667022 1082974909 /nfs/dbraw/zinc/97/49/09/1082974909.db2.gz BFPFDQLFRDWKKK-AWEZNQCLSA-N 0 3 300.402 3.241 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc(Cl)s1 ZINC001132667233 1082975980 /nfs/dbraw/zinc/97/59/80/1082975980.db2.gz HPUQYHXVLSNYNH-NSHDSACASA-N 0 3 300.855 3.210 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccccc1OC(C)C ZINC001132668068 1082976310 /nfs/dbraw/zinc/97/63/10/1082976310.db2.gz ZYXKMAPUUCFRAM-INIZCTEOSA-N 0 3 318.461 3.282 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132667452 1082976336 /nfs/dbraw/zinc/97/63/36/1082976336.db2.gz LSXXTLJXQFWNBF-GFCCVEGCSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c(C)oc(C)c1C)c1ccccc1 ZINC001267519398 1082978816 /nfs/dbraw/zinc/97/88/16/1082978816.db2.gz FANLBWQBSWLBSW-KRWDZBQOSA-N 0 3 312.413 3.452 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001267541867 1083009428 /nfs/dbraw/zinc/00/94/28/1083009428.db2.gz KBRYFPCTPHNYLG-SFHVURJKSA-N 0 3 315.461 3.201 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001267548484 1083019331 /nfs/dbraw/zinc/01/93/31/1083019331.db2.gz GNLKQJBFBRUUSI-KRWDZBQOSA-N 0 3 323.440 3.118 20 30 DGEDHN C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001481024714 1083093600 /nfs/dbraw/zinc/09/36/00/1083093600.db2.gz FTAHXBBDKHDAMP-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001481024714 1083093602 /nfs/dbraw/zinc/09/36/02/1083093602.db2.gz FTAHXBBDKHDAMP-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H](CN(C)C[C@H](F)CC)C2)CC1 ZINC001267587606 1083107684 /nfs/dbraw/zinc/10/76/84/1083107684.db2.gz BCMRVZDCSPFMHW-DOTOQJQBSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCCC1(C(=O)NCCN[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001133374329 1083108573 /nfs/dbraw/zinc/10/85/73/1083108573.db2.gz UCPFOSLRYLJYAD-ZDUSSCGKSA-N 0 3 322.399 3.478 20 30 DGEDHN CC#Cc1cncc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1 ZINC001170685821 1083119130 /nfs/dbraw/zinc/11/91/30/1083119130.db2.gz GEEBBDGERSLGMG-AWEZNQCLSA-N 0 3 302.381 3.325 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@@H](CN(C)CCF)C1)c1ccccc1 ZINC001267596601 1083128514 /nfs/dbraw/zinc/12/85/14/1083128514.db2.gz NMSHDMRAAMMCKJ-IRXDYDNUSA-N 0 3 318.436 3.096 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)C1CCCC1)NCc1ccccc1C#N ZINC001133466066 1083130618 /nfs/dbraw/zinc/13/06/18/1083130618.db2.gz WVWYNPGTZYHISM-CABCVRRESA-N 0 3 313.445 3.121 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)C1CCCC1 ZINC001133466069 1083130707 /nfs/dbraw/zinc/13/07/07/1083130707.db2.gz WVWYNPGTZYHISM-LSDHHAIUSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(C)Cc2cnc(C)s2)CC1 ZINC001267598278 1083131098 /nfs/dbraw/zinc/13/10/98/1083131098.db2.gz ZBSXEIHNAWNJJE-UHFFFAOYSA-N 0 3 321.490 3.088 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)c1ccccc1)NCc1ccccc1C#N ZINC001133526318 1083147050 /nfs/dbraw/zinc/14/70/50/1083147050.db2.gz TWNCDSZDGPRHGP-CVEARBPZSA-N 0 3 321.424 3.245 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001133565631 1083152144 /nfs/dbraw/zinc/15/21/44/1083152144.db2.gz DYUWKMDPIKQBPW-GFCCVEGCSA-N 0 3 308.372 3.088 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2cccc(C(C)C)n2)C1 ZINC001481083229 1083156240 /nfs/dbraw/zinc/15/62/40/1083156240.db2.gz LMHABJRRZKKDBH-MRXNPFEDSA-N 0 3 315.461 3.109 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133586218 1083156890 /nfs/dbraw/zinc/15/68/90/1083156890.db2.gz MPPQZGLLIUNAQA-UONOGXRCSA-N 0 3 317.408 3.036 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1c1ccccc1 ZINC001211645189 1083161531 /nfs/dbraw/zinc/16/15/31/1083161531.db2.gz VANQMBQFRLUIFI-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001167711227 1083174547 /nfs/dbraw/zinc/17/45/47/1083174547.db2.gz TZPHZDWGPKMNBC-UHFFFAOYSA-N 0 3 320.811 3.050 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CCCCC ZINC001133691695 1083176245 /nfs/dbraw/zinc/17/62/45/1083176245.db2.gz CGAFSEZDCZYTJG-CHWSQXEVSA-N 0 3 319.287 3.348 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCc2ccsc2)C1 ZINC001267615973 1083205700 /nfs/dbraw/zinc/20/57/00/1083205700.db2.gz YSDHCCQQSCJJMD-MRXNPFEDSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001133884637 1083205993 /nfs/dbraw/zinc/20/59/93/1083205993.db2.gz RWAHQXRMRFORIV-RYUDHWBXSA-N 0 3 309.479 3.099 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001133887657 1083209659 /nfs/dbraw/zinc/20/96/59/1083209659.db2.gz AREJOHPUSHUUTG-CHWSQXEVSA-N 0 3 310.388 3.304 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2c(s1)CCCCC2 ZINC001481153195 1083214930 /nfs/dbraw/zinc/21/49/30/1083214930.db2.gz WBYQDXSGCNFPDM-UHFFFAOYSA-N 0 3 318.486 3.092 20 30 DGEDHN C=CCN(CCNC(=O)CCc1ccc(C)c(Cl)c1)C1CC1 ZINC001481180537 1083228402 /nfs/dbraw/zinc/22/84/02/1083228402.db2.gz TYVXKPRXLPIOTM-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)C1CCN(C)CC1 ZINC001134044214 1083231083 /nfs/dbraw/zinc/23/10/83/1083231083.db2.gz UIPQCYGJUUTMJO-IRXDYDNUSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2scnc2CC)C1 ZINC001267628460 1083231529 /nfs/dbraw/zinc/23/15/29/1083231529.db2.gz XCXNOBDUQWZDEE-KGLIPLIRSA-N 0 3 321.490 3.254 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001087379532 1083231664 /nfs/dbraw/zinc/23/16/64/1083231664.db2.gz FZVZMBKTIHWAAH-HBYXIUGKSA-N 0 3 322.880 3.120 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001267629721 1083232996 /nfs/dbraw/zinc/23/29/96/1083232996.db2.gz HEKXKJDZQZDLRK-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCN(CCNC(=O)CCc1ccc(Cl)s1)C1CC1 ZINC001481196621 1083238373 /nfs/dbraw/zinc/23/83/73/1083238373.db2.gz MLBQUGXUQGTKLW-UHFFFAOYSA-N 0 3 312.866 3.101 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)C#CC(C)(C)C)NC/C(Cl)=C/Cl ZINC001134329573 1083274919 /nfs/dbraw/zinc/27/49/19/1083274919.db2.gz PHCCFIFAGCJPSV-QJHSLEFKSA-N 0 3 319.276 3.228 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)(F)F)CC1 ZINC001267712321 1083276522 /nfs/dbraw/zinc/27/65/22/1083276522.db2.gz OONMFNFSTVKHMH-RDBSUJKOSA-N 0 3 312.404 3.062 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CC1 ZINC001267712359 1083277426 /nfs/dbraw/zinc/27/74/26/1083277426.db2.gz QVBRWABFRLFQLR-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)F ZINC001267712128 1083277452 /nfs/dbraw/zinc/27/74/52/1083277452.db2.gz LLMFCIORTZESMI-KBPBESRZSA-N 0 3 314.420 3.309 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)c1ccccc1 ZINC001267716054 1083279609 /nfs/dbraw/zinc/27/96/09/1083279609.db2.gz HJAXTVWFSJPNSU-IHPCNDPISA-N 0 3 324.468 3.432 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC001134469550 1083294472 /nfs/dbraw/zinc/29/44/72/1083294472.db2.gz FBRUKYIPXTXHQK-KGLIPLIRSA-N 0 3 323.868 3.464 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1conc1CC ZINC001134454012 1083295383 /nfs/dbraw/zinc/29/53/83/1083295383.db2.gz PKAALOMMUTYFPP-KGLIPLIRSA-N 0 3 321.465 3.212 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001267749503 1083316552 /nfs/dbraw/zinc/31/65/52/1083316552.db2.gz QYMMSJOIWIRQGI-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001267771645 1083335052 /nfs/dbraw/zinc/33/50/52/1083335052.db2.gz KSCYTHGOJXMVEP-PBHICJAKSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001267778679 1083341019 /nfs/dbraw/zinc/34/10/19/1083341019.db2.gz FPIJGGKNLKTXFH-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCc2ccccc2)C1 ZINC001267792372 1083350768 /nfs/dbraw/zinc/35/07/68/1083350768.db2.gz YUDJEFREIBCDCL-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)(C)C)NCc1ccc(C#N)s1 ZINC001267796398 1083353266 /nfs/dbraw/zinc/35/32/66/1083353266.db2.gz OCPDPENZWCHRBQ-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C[C@H](C)CCC)CC1 ZINC001151013931 1083409830 /nfs/dbraw/zinc/40/98/30/1083409830.db2.gz BSXDZFHCYZPNDE-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)/C=C\C(C)(C)C)CC1 ZINC001151027608 1083465415 /nfs/dbraw/zinc/46/54/15/1083465415.db2.gz YFWDOXWYTHDAAJ-FPLPWBNLSA-N 0 3 322.493 3.152 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001182107902 1083623222 /nfs/dbraw/zinc/62/32/22/1083623222.db2.gz AOCVSIYYQCHDFA-QGZVFWFLSA-N 0 3 324.424 3.317 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001267956940 1083648226 /nfs/dbraw/zinc/64/82/26/1083648226.db2.gz LYINYDKNVICHOZ-MRXNPFEDSA-N 0 3 322.399 3.402 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211657773 1083668184 /nfs/dbraw/zinc/66/81/84/1083668184.db2.gz MQNHEBBTCXSNKQ-YZGWKJHDSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC001267978707 1083689647 /nfs/dbraw/zinc/68/96/47/1083689647.db2.gz DPGJKNXOWWUMBU-OLZOCXBDSA-N 0 3 310.388 3.334 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481302667 1083731551 /nfs/dbraw/zinc/73/15/51/1083731551.db2.gz GKJZMKJGTKIWQR-INIZCTEOSA-N 0 3 315.461 3.179 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)SC)C2 ZINC001110316819 1083734003 /nfs/dbraw/zinc/73/40/03/1083734003.db2.gz UYWVTLBHBSMVBP-FPCVCCKLSA-N 0 3 312.523 3.430 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151259192 1083774446 /nfs/dbraw/zinc/77/44/46/1083774446.db2.gz GNKWOUUAPDURCM-KRWDZBQOSA-N 0 3 322.493 3.152 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)OC)c1ccc(C(C)C)cc1 ZINC001481357414 1083815518 /nfs/dbraw/zinc/81/55/18/1083815518.db2.gz CJZPGVYUMXEDHG-YJBOKZPZSA-N 0 3 318.461 3.168 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CCC1)c1ccc(C(C)C)cc1 ZINC001481358522 1083819632 /nfs/dbraw/zinc/81/96/32/1083819632.db2.gz UUOXGJTZAVKOBS-IBGZPJMESA-N 0 3 312.457 3.380 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001481369531 1083833011 /nfs/dbraw/zinc/83/30/11/1083833011.db2.gz PYKVLDCRNGGCJZ-ROUUACIJSA-N 0 3 312.457 3.283 20 30 DGEDHN C=CCCCN1CC[C@H](N(CCC)C(=O)c2cncs2)C1 ZINC001481393489 1083855983 /nfs/dbraw/zinc/85/59/83/1083855983.db2.gz YFMIMXBLBVABOH-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1cc2ccccc2o1 ZINC001268054367 1084047114 /nfs/dbraw/zinc/04/71/14/1084047114.db2.gz MHNJQDLMCNFJDT-CQSZACIVSA-N 0 3 300.402 3.336 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268056657 1084052222 /nfs/dbraw/zinc/05/22/22/1084052222.db2.gz UOVXQGHTVQECEZ-HOTGVXAUSA-N 0 3 318.436 3.050 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC[C@@H](C)CC)C[C@H]1c1ccccc1 ZINC001211695317 1084057155 /nfs/dbraw/zinc/05/71/55/1084057155.db2.gz WANVMUHVPLAHHA-YTQUADARSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001481531216 1084086605 /nfs/dbraw/zinc/08/66/05/1084086605.db2.gz UCJFOJPZDIEZSV-SUOMESGTSA-N 0 3 310.441 3.002 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001151392702 1084113464 /nfs/dbraw/zinc/11/34/64/1084113464.db2.gz PAGUQMOOOCUYIA-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001268079204 1084114884 /nfs/dbraw/zinc/11/48/84/1084114884.db2.gz QFMZHYIUVILCII-CQSZACIVSA-N 0 3 319.474 3.303 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(C)CCC2)C1 ZINC001087434158 1084155186 /nfs/dbraw/zinc/15/51/86/1084155186.db2.gz ZESIDWWDBPNQLQ-RTBURBONSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccccc1Cl ZINC001184481894 1084196453 /nfs/dbraw/zinc/19/64/53/1084196453.db2.gz YADNUNIUMSAAID-KGLIPLIRSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1c(C)cccc1Cl ZINC001184561352 1084212225 /nfs/dbraw/zinc/21/22/25/1084212225.db2.gz HTUOGTBFLXJXML-ZDUSSCGKSA-N 0 3 307.825 3.420 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CC12CCC2 ZINC001268160629 1084256885 /nfs/dbraw/zinc/25/68/85/1084256885.db2.gz KNKSSBWSHMOINM-HUUCEWRRSA-N 0 3 310.869 3.290 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139725754 1084273482 /nfs/dbraw/zinc/27/34/82/1084273482.db2.gz AQGCDAROOJCWCI-SFHVURJKSA-N 0 3 300.402 3.032 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC)CC[C@@H]2c2ccccc2)C1 ZINC001087436681 1084275727 /nfs/dbraw/zinc/27/57/27/1084275727.db2.gz DPCCXVNMWQEPHC-QZTJIDSGSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@@H](C)NC/C(Cl)=C\Cl)C1 ZINC001268172044 1084282416 /nfs/dbraw/zinc/28/24/16/1084282416.db2.gz YHWXCWYRDWUBSD-ZZHYBKPNSA-N 0 3 319.276 3.488 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001185035704 1084331384 /nfs/dbraw/zinc/33/13/84/1084331384.db2.gz OYVPHDRUJPXBGJ-QGZVFWFLSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C(C)C)cn1)C(C)C ZINC001268220976 1084348290 /nfs/dbraw/zinc/34/82/90/1084348290.db2.gz UKYBPAQXNREBTC-MRXNPFEDSA-N 0 3 323.868 3.302 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc(C2CC2)cc1 ZINC001268233935 1084374466 /nfs/dbraw/zinc/37/44/66/1084374466.db2.gz XZUOAZYZCPHMBB-UHFFFAOYSA-N 0 3 300.446 3.420 20 30 DGEDHN C[C@H](C#N)C(=O)N(C)CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC001268233680 1084374743 /nfs/dbraw/zinc/37/47/43/1084374743.db2.gz VIZAFRNQKGKVDW-OAHLLOKOSA-N 0 3 315.461 3.034 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)COC(C)(C)C ZINC001481668848 1084462698 /nfs/dbraw/zinc/46/26/98/1084462698.db2.gz QYUIBOWYASUGBI-HOTGVXAUSA-N 0 3 310.482 3.057 20 30 DGEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)CC(C)(C)C ZINC001268346340 1084514278 /nfs/dbraw/zinc/51/42/78/1084514278.db2.gz PQKCJIZGMSLFLY-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001279317529 1084519730 /nfs/dbraw/zinc/51/97/30/1084519730.db2.gz CZFUQHDBOJSCDE-PXNSSMCTSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)cc(OC)c1C ZINC001268383214 1084545600 /nfs/dbraw/zinc/54/56/00/1084545600.db2.gz WRWUABNLVHQDOO-CYBMUJFWSA-N 0 3 324.852 3.163 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ccn(C(C)C)n1 ZINC001268389784 1084551146 /nfs/dbraw/zinc/55/11/46/1084551146.db2.gz RBODJFUFTLFIMM-HNNXBMFYSA-N 0 3 320.481 3.051 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC/C=C/c2ccccc2)C1 ZINC001481741878 1084560754 /nfs/dbraw/zinc/56/07/54/1084560754.db2.gz UZZQQDGHRDWYAY-BEBFYNPSSA-N 0 3 310.441 3.036 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2nc(C)c(C)s2)C1 ZINC001268398798 1084562802 /nfs/dbraw/zinc/56/28/02/1084562802.db2.gz PDJLTNBTYNSDQN-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cccc(C)c1C ZINC001279328652 1084587649 /nfs/dbraw/zinc/58/76/49/1084587649.db2.gz WPDDOSIFUWVJDI-UHFFFAOYSA-N 0 3 320.436 3.169 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1ccc(Cl)nc1 ZINC001268451937 1084618456 /nfs/dbraw/zinc/61/84/56/1084618456.db2.gz VHOOBLCTNLOJGJ-UHFFFAOYSA-N 0 3 309.841 3.029 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccccc2)C1 ZINC001481778019 1084628504 /nfs/dbraw/zinc/62/85/04/1084628504.db2.gz LXGQNVBQDUQWGR-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1sccc1Cl ZINC001481809129 1084645404 /nfs/dbraw/zinc/64/54/04/1084645404.db2.gz IDBQEZLWCMNWOG-LBPRGKRZSA-N 0 3 312.866 3.045 20 30 DGEDHN C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2CC2)C1 ZINC001087451618 1084659998 /nfs/dbraw/zinc/65/99/98/1084659998.db2.gz ATNTVUONAYSVCU-QZTJIDSGSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1cccc(Cl)n1 ZINC001481847755 1084665631 /nfs/dbraw/zinc/66/56/31/1084665631.db2.gz HFPSSAGDBPESLZ-SUMWQHHRSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cccn2C(C)C)CCCC1 ZINC001481912962 1084701249 /nfs/dbraw/zinc/70/12/49/1084701249.db2.gz UHNIELZKBCKTGF-UHFFFAOYSA-N 0 3 323.868 3.454 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1c(Cl)cccc1Cl ZINC001268493135 1084718260 /nfs/dbraw/zinc/71/82/60/1084718260.db2.gz AJTNKXNCHGZJIW-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1occ2c1CCC2)C1CC1 ZINC001481939190 1084718277 /nfs/dbraw/zinc/71/82/77/1084718277.db2.gz MKJSKQJHDROHAR-KRWDZBQOSA-N 0 3 322.836 3.009 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1ccc(CNC[C@H](F)CC)cc1 ZINC001482032773 1084783832 /nfs/dbraw/zinc/78/38/32/1084783832.db2.gz KMCSXRFXKGHHSO-MRXNPFEDSA-N 0 3 306.425 3.353 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2C)cc1 ZINC001482035981 1084788260 /nfs/dbraw/zinc/78/82/60/1084788260.db2.gz RVSGFKVBGHOWRT-LPHOPBHVSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2cccc(F)c2)C1 ZINC001268748088 1085020626 /nfs/dbraw/zinc/02/06/26/1085020626.db2.gz WBDAGWNEDHTKLE-CQSZACIVSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CCCc2cccc(F)c2)C1 ZINC001268859208 1085068688 /nfs/dbraw/zinc/06/86/88/1085068688.db2.gz ZLNHYTLRMLDHAG-UHFFFAOYSA-N 0 3 318.436 3.019 20 30 DGEDHN C=CCC1(C(=O)NCC2CN(CCc3ccccc3)C2)CCC1 ZINC001268873892 1085072062 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CCCCCCCN1CC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001269061256 1085108950 /nfs/dbraw/zinc/10/89/50/1085108950.db2.gz IEWWJSZYHMPCGJ-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](CN[C@@H](C)c1ccccc1F)C1CC1 ZINC001269067085 1085111825 /nfs/dbraw/zinc/11/18/25/1085111825.db2.gz RKXAMPOGFHFTHG-KSSFIOAISA-N 0 3 316.420 3.031 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCc2ccccc2Cl)C1 ZINC001269246499 1085233439 /nfs/dbraw/zinc/23/34/39/1085233439.db2.gz ZRKYDZLVZDOIQC-MRXNPFEDSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001269260973 1085243792 /nfs/dbraw/zinc/24/37/92/1085243792.db2.gz MFTQHNCREKGATI-GOEBONIOSA-N 0 3 313.445 3.118 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001269291887 1085276433 /nfs/dbraw/zinc/27/64/33/1085276433.db2.gz JVXODSUMFRMFBD-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN([C@H](C)c2cccc(C)c2)C1 ZINC001269323698 1085300282 /nfs/dbraw/zinc/30/02/82/1085300282.db2.gz AVEYIEVHWKYKAL-XLIONFOSSA-N 0 3 324.468 3.392 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001269324631 1085305062 /nfs/dbraw/zinc/30/50/62/1085305062.db2.gz NGJGXNQUDXKRPF-SFHVURJKSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CC2(c3ccccc3)CC2)C1 ZINC001269333275 1085311955 /nfs/dbraw/zinc/31/19/55/1085311955.db2.gz VXDDSZFPNXVUNG-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN N#Cc1ccc(CNC2(CNC(=O)CC3=CCCCC3)CC2)cc1 ZINC001269388335 1085356243 /nfs/dbraw/zinc/35/62/43/1085356243.db2.gz JZSYJYCNPOAIKE-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)NCc1ccc(Cl)cc1F ZINC001269399157 1085366460 /nfs/dbraw/zinc/36/64/60/1085366460.db2.gz XEBKTZJQMUYBFX-HNNXBMFYSA-N 0 3 324.827 3.267 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001269402990 1085366695 /nfs/dbraw/zinc/36/66/95/1085366695.db2.gz RAIHRZGTXDCBCQ-AWEZNQCLSA-N 0 3 318.848 3.443 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC001269402991 1085366763 /nfs/dbraw/zinc/36/67/63/1085366763.db2.gz RAIHRZGTXDCBCQ-CQSZACIVSA-N 0 3 318.848 3.443 20 30 DGEDHN CC[C@H](CNC(=O)C1(C)CCCC1)NCC#Cc1ccccc1 ZINC001269441759 1085386268 /nfs/dbraw/zinc/38/62/68/1085386268.db2.gz AGCRDAUMKPXBOY-GOSISDBHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2oc(C)nc2C)CCCC1 ZINC001269572370 1085475182 /nfs/dbraw/zinc/47/51/82/1085475182.db2.gz QUZQCMKZKXUAJF-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@H]1CC(C)C)C1CC1 ZINC001269634370 1085506905 /nfs/dbraw/zinc/50/69/05/1085506905.db2.gz NVXBNGKLBYJSMP-FRFSOERESA-N 0 3 312.885 3.296 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC=C ZINC001269661053 1085517057 /nfs/dbraw/zinc/51/70/57/1085517057.db2.gz WQLRYMGUYDKHDX-HDICACEKSA-N 0 3 302.462 3.212 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C)OCC ZINC001269664072 1085519394 /nfs/dbraw/zinc/51/93/94/1085519394.db2.gz NHZIZFLSEFGLGH-FGTMMUONSA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001269692462 1085529527 /nfs/dbraw/zinc/52/95/27/1085529527.db2.gz LLFIWFVCBFLYEG-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001270059581 1085675144 /nfs/dbraw/zinc/67/51/44/1085675144.db2.gz YAKAMGKGMKYTFM-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN O=C(CC1CC1)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC001270089155 1085685550 /nfs/dbraw/zinc/68/55/50/1085685550.db2.gz ZMOZYAYPFORURV-UHFFFAOYSA-N 0 3 324.468 3.057 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001270261010 1085754077 /nfs/dbraw/zinc/75/40/77/1085754077.db2.gz LOOCWSJBQFQIKM-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN(C(=O)[C@H](CCC)C(C)C)C1CCN(CC=C)CC1 ZINC001270346016 1085778774 /nfs/dbraw/zinc/77/87/74/1085778774.db2.gz WQESEDXWECLSTM-GOSISDBHSA-N 0 3 304.478 3.171 20 30 DGEDHN C#CCN(C(=O)c1ccccc1Cl)C1CCN(CC=C)CC1 ZINC001270358539 1085784580 /nfs/dbraw/zinc/78/45/80/1085784580.db2.gz KIOPFLPXPXUFGI-UHFFFAOYSA-N 0 3 316.832 3.066 20 30 DGEDHN CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001270502393 1085834367 /nfs/dbraw/zinc/83/43/67/1085834367.db2.gz VKPPPQROEPJLNV-VVLHAWIVSA-N 0 3 305.466 3.038 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001270514200 1085840692 /nfs/dbraw/zinc/84/06/92/1085840692.db2.gz WLXFDXFZOXNMAF-CXKPLTABSA-N 0 3 322.880 3.103 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001270514206 1085841285 /nfs/dbraw/zinc/84/12/85/1085841285.db2.gz WLXFDXFZOXNMAF-YPHWWSSASA-N 0 3 322.880 3.103 20 30 DGEDHN CCCCC(=O)N1CC[C@@](C)(CNCc2ccccc2C#N)C1 ZINC001270679435 1085943262 /nfs/dbraw/zinc/94/32/62/1085943262.db2.gz CZGIGQZYTFWILB-IBGZPJMESA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)s2)CCCC1 ZINC001270706679 1085954591 /nfs/dbraw/zinc/95/45/91/1085954591.db2.gz GNZJHRAZUGYIER-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=C(Br)CNC1(CNC(=O)CCCC)CCCC1 ZINC001270713747 1085961615 /nfs/dbraw/zinc/96/16/15/1085961615.db2.gz MDWSFWFHVRVOEM-UHFFFAOYSA-N 0 3 317.271 3.104 20 30 DGEDHN CCC(CC)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482347897 1086055457 /nfs/dbraw/zinc/05/54/57/1086055457.db2.gz OWJADKDRBCLFCX-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN N#Cc1nccc2cc(N(C(=N)N)c3ccc(F)cc3)ccc21 ZINC001167994869 1086060592 /nfs/dbraw/zinc/06/05/92/1086060592.db2.gz QKVRVKCYAYAYGP-UHFFFAOYSA-N 0 3 305.316 3.277 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001105388777 1086125333 /nfs/dbraw/zinc/12/53/33/1086125333.db2.gz BSSDDAOSFPBXQC-FUHWJXTLSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001105391673 1086160086 /nfs/dbraw/zinc/16/00/86/1086160086.db2.gz ITFHZYZSKYJLPV-VDUFWMCCSA-N 0 3 314.473 3.069 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC001482443808 1086192762 /nfs/dbraw/zinc/19/27/62/1086192762.db2.gz RVIVFPOURINHAJ-HOTGVXAUSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001271007211 1086247759 /nfs/dbraw/zinc/24/77/59/1086247759.db2.gz KTNZHHDGHCRJJN-HXUWFJFHSA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@H]1CC ZINC001087593328 1086321083 /nfs/dbraw/zinc/32/10/83/1086321083.db2.gz BGYUGMMGHWIWMG-DLBZAZTESA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)[C@H]1CC ZINC001087603551 1086328888 /nfs/dbraw/zinc/32/88/88/1086328888.db2.gz WGGMMNITQXEBLK-XCWFVBJVSA-N 0 3 316.489 3.214 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cc(C)ccc3n2)[C@H]1CC ZINC001087650873 1086340636 /nfs/dbraw/zinc/34/06/36/1086340636.db2.gz ILGRCBMHACCUIX-PKOBYXMFSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(C(F)F)c2)[C@H]1CC ZINC001087655731 1086342011 /nfs/dbraw/zinc/34/20/11/1086342011.db2.gz RAXTXCMXFXOLCE-JKSUJKDBSA-N 0 3 322.399 3.322 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)[C@H]1CC ZINC001087657532 1086343575 /nfs/dbraw/zinc/34/35/75/1086343575.db2.gz MGBIHBSTPJLQBT-OTWHNJEPSA-N 0 3 312.457 3.335 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)[C@H]1CC ZINC001087701585 1086367902 /nfs/dbraw/zinc/36/79/02/1086367902.db2.gz BXDVXKRCMNKIOU-DLBZAZTESA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1CC ZINC001087739029 1086388522 /nfs/dbraw/zinc/38/85/22/1086388522.db2.gz DMOHSSBYCRDZCA-DLBZAZTESA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccn2C2CCCC2)[C@H]1CC ZINC001087776420 1086405322 /nfs/dbraw/zinc/40/53/22/1086405322.db2.gz BKPCAGVLZZIFAX-DLBZAZTESA-N 0 3 315.461 3.372 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H]1CC ZINC001087786129 1086411600 /nfs/dbraw/zinc/41/16/00/1086411600.db2.gz MKSBEEBHLVLROT-ZWKOTPCHSA-N 0 3 309.413 3.004 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001271153992 1086424138 /nfs/dbraw/zinc/42/41/38/1086424138.db2.gz BBAUVEKHSIUDCK-ZIAGYGMSSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H]1CC ZINC001087845017 1086443438 /nfs/dbraw/zinc/44/34/38/1086443438.db2.gz BCJAJDGBMBLQJU-WINGESFGSA-N 0 3 304.478 3.358 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccccc3CCC)C[C@@H]2C1 ZINC001088035944 1086531995 /nfs/dbraw/zinc/53/19/95/1086531995.db2.gz JTOUDHBGCJSBOO-MOPGFXCFSA-N 0 3 324.468 3.056 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cncc(C)c1)CC(C)C ZINC001271285998 1086563769 /nfs/dbraw/zinc/56/37/69/1086563769.db2.gz NNUFTGBBLKKXON-KRWDZBQOSA-N 0 3 317.477 3.223 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001088179542 1086647455 /nfs/dbraw/zinc/64/74/55/1086647455.db2.gz NTRPOOBSYAKJDG-MSOLQXFVSA-N 0 3 324.468 3.011 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc([C@H](C)CC)cc3)C[C@@H]2C1 ZINC001088213312 1086654515 /nfs/dbraw/zinc/65/45/15/1086654515.db2.gz WDLNLRYPCCQBID-AHRSYUTCSA-N 0 3 324.468 3.227 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NCc2cscn2)C1 ZINC001271531638 1086674684 /nfs/dbraw/zinc/67/46/84/1086674684.db2.gz NXCJPEFZNIVGEJ-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN C[C@@H]1CCCN(C(=O)C2CCC2)[C@H]1CNCC#Cc1ccccc1 ZINC001271688608 1086702271 /nfs/dbraw/zinc/70/22/71/1086702271.db2.gz PVWUPAVRLBZLDU-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2ccccc2C)CC1 ZINC001168068638 1086718325 /nfs/dbraw/zinc/71/83/25/1086718325.db2.gz RXTQNKCSYMCODD-UHFFFAOYSA-N 0 3 320.864 3.166 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccc(C)o2)C1 ZINC001088256766 1086727015 /nfs/dbraw/zinc/72/70/15/1086727015.db2.gz YYRUNNPKEDHEMY-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccc(C)n2C)C1 ZINC001088258101 1086727972 /nfs/dbraw/zinc/72/79/72/1086727972.db2.gz AXCKHBAYAFVUAT-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccoc2C)C1 ZINC001088259880 1086728861 /nfs/dbraw/zinc/72/88/61/1086728861.db2.gz RMCOSCFKHWJPJM-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN CCCC(=O)NC[C@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC001482511043 1086739030 /nfs/dbraw/zinc/73/90/30/1086739030.db2.gz BOMOCTGLDFELIA-KRWDZBQOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cnccc2C)C1 ZINC001088288284 1086765136 /nfs/dbraw/zinc/76/51/36/1086765136.db2.gz QWUXQYDFAPCAKW-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001088289532 1086766904 /nfs/dbraw/zinc/76/69/04/1086766904.db2.gz QGJLPZZUNIRFEF-WCVJEAGWSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2CC(F)(F)C2)C1 ZINC001088292928 1086770544 /nfs/dbraw/zinc/77/05/44/1086770544.db2.gz JPRIMYVGXXMEIB-ZDUSSCGKSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)n2cccc2)C1 ZINC001088297102 1086773514 /nfs/dbraw/zinc/77/35/14/1086773514.db2.gz HOPDTWAWOCQTPG-JKSUJKDBSA-N 0 3 323.868 3.162 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)CCC ZINC001271812553 1086779166 /nfs/dbraw/zinc/77/91/66/1086779166.db2.gz OZBBQUOMAMTBJZ-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](NCc1cc(C)ccc1F)C(C)C ZINC001271829188 1086784613 /nfs/dbraw/zinc/78/46/13/1086784613.db2.gz CBUULXLQDOQFGZ-GOSISDBHSA-N 0 3 318.436 3.168 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@H](C)CC)CC1 ZINC001271826537 1086784823 /nfs/dbraw/zinc/78/48/23/1086784823.db2.gz HRHSOXHIFMBMDL-MRXNPFEDSA-N 0 3 315.461 3.107 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cncc(F)c1)C(C)C ZINC001271879364 1086802480 /nfs/dbraw/zinc/80/24/80/1086802480.db2.gz ZTMGIDQCHNRGNZ-MRXNPFEDSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccccc1C)C(C)C ZINC001271930043 1086840573 /nfs/dbraw/zinc/84/05/73/1086840573.db2.gz IPPNPBFJEVBWCP-INIZCTEOSA-N 0 3 308.853 3.020 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H](NCC(=C)Cl)C(C)C)c1ccccc1 ZINC001271940087 1086848166 /nfs/dbraw/zinc/84/81/66/1086848166.db2.gz JICWYEKYSAZCLS-IAGOWNOFSA-N 0 3 320.864 3.439 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccoc1C1CC1)C(C)C ZINC001482549732 1086850550 /nfs/dbraw/zinc/85/05/50/1086850550.db2.gz HAPOERDXSBRNQI-CQSZACIVSA-N 0 3 310.825 3.254 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001088362352 1086855963 /nfs/dbraw/zinc/85/59/63/1086855963.db2.gz QLTJEHYRFRRFFH-WBVHZDCISA-N 0 3 310.869 3.456 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CCC(C)(C)C)C[C@]2(C)C1 ZINC001101432091 1086867798 /nfs/dbraw/zinc/86/77/98/1086867798.db2.gz AFGCGTBFBMTEIE-HLIPFELVSA-N 0 3 318.505 3.252 20 30 DGEDHN C=Cc1ccc(C(=O)NC[C@H](NCC(=C)Cl)C(C)C)cc1 ZINC001482554546 1086880838 /nfs/dbraw/zinc/88/08/38/1086880838.db2.gz YAMPDDWMGFDIRE-INIZCTEOSA-N 0 3 306.837 3.426 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001088378600 1086887401 /nfs/dbraw/zinc/88/74/01/1086887401.db2.gz NJQGLTUZBFKFBR-OAHLLOKOSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001088380656 1086891321 /nfs/dbraw/zinc/89/13/21/1086891321.db2.gz MTYOWCCIUAFFJE-GJZGRUSLSA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001088390347 1086903835 /nfs/dbraw/zinc/90/38/35/1086903835.db2.gz LTFMWNOZBIWXFS-CABCVRRESA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2c[nH]cc2C)C1 ZINC001088425457 1086926965 /nfs/dbraw/zinc/92/69/65/1086926965.db2.gz VVSWJVBOIGOKOZ-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN Cc1cc(C)c(CN(C)CCN(C)C(=O)C#CC(C)C)c(C)c1 ZINC001482595076 1087025467 /nfs/dbraw/zinc/02/54/67/1087025467.db2.gz KTTNQWLQIHDJIW-UHFFFAOYSA-N 0 3 314.473 3.161 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCCC(C)C ZINC001272046822 1087028572 /nfs/dbraw/zinc/02/85/72/1087028572.db2.gz ZKAVERWWQUQYFT-MSOLQXFVSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001482652636 1087103097 /nfs/dbraw/zinc/10/30/97/1087103097.db2.gz YYZBCWJYBIKPKB-HOCLYGCPSA-N 0 3 322.399 3.035 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001272158501 1087223540 /nfs/dbraw/zinc/22/35/40/1087223540.db2.gz MPQBPIDPRSQJIV-UHFFFAOYSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(CC)c(CC)c1 ZINC001272185942 1087236622 /nfs/dbraw/zinc/23/66/22/1087236622.db2.gz VDKHOZYZFACOET-UHFFFAOYSA-N 0 3 302.462 3.391 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)[C@H]1C ZINC001088624283 1087237639 /nfs/dbraw/zinc/23/76/39/1087237639.db2.gz XURFFXYSEQGOPO-YUPKVTIOSA-N 0 3 316.489 3.214 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H]1C ZINC001088653616 1087246233 /nfs/dbraw/zinc/24/62/33/1087246233.db2.gz ZGZMGWOUNSCTDD-WBMJQRKESA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H]1C ZINC001088766150 1087344969 /nfs/dbraw/zinc/34/49/69/1087344969.db2.gz ZZEGDEMGVRCAFN-BEFAXECRSA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H]1C ZINC001088778329 1087350096 /nfs/dbraw/zinc/35/00/96/1087350096.db2.gz WIHUFTLOFKZWTN-ZBFHGGJFSA-N 0 3 311.429 3.245 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[C@H]1C ZINC001088812342 1087374360 /nfs/dbraw/zinc/37/43/60/1087374360.db2.gz ZXOLEMFTXAHXPW-LPWJVIDDSA-N 0 3 324.877 3.270 20 30 DGEDHN CC(C)c1ccoc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001483158953 1087407822 /nfs/dbraw/zinc/40/78/22/1087407822.db2.gz TXEOFVDZDHHVQO-MRXNPFEDSA-N 0 3 324.424 3.163 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(OC)c(F)c1 ZINC001483170280 1087410733 /nfs/dbraw/zinc/41/07/33/1087410733.db2.gz FDSYJULYZDEJAB-CYBMUJFWSA-N 0 3 322.424 3.031 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483178383 1087412004 /nfs/dbraw/zinc/41/20/04/1087412004.db2.gz LBXGZWWCNAQFJI-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN CC(C(=O)N[C@@H](C)CNCC#Cc1ccccc1)=C1CCCC1 ZINC001483218920 1087425749 /nfs/dbraw/zinc/42/57/49/1087425749.db2.gz CJCOKJKPZQWIRM-INIZCTEOSA-N 0 3 310.441 3.023 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001483269930 1087454132 /nfs/dbraw/zinc/45/41/32/1087454132.db2.gz DOCIFXAQKQXTLN-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN Cc1cccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1C ZINC001483288756 1087459372 /nfs/dbraw/zinc/45/93/72/1087459372.db2.gz FGWJGWBKKXCLLV-KRWDZBQOSA-N 0 3 320.436 3.063 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(OC)c1 ZINC001483341309 1087476674 /nfs/dbraw/zinc/47/66/74/1087476674.db2.gz CCDYDPAXZLFDRE-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483399230 1087491332 /nfs/dbraw/zinc/49/13/32/1087491332.db2.gz IZOSROZHTCPQGA-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cc(C)ccc2s1 ZINC001483402074 1087492062 /nfs/dbraw/zinc/49/20/62/1087492062.db2.gz OVBLDMOVNFGVIV-ZDUSSCGKSA-N 0 3 302.443 3.446 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCNCc1cc(F)ccc1F ZINC001483484096 1087512236 /nfs/dbraw/zinc/51/22/36/1087512236.db2.gz HXTAONIDXUZCSZ-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001483497567 1087515869 /nfs/dbraw/zinc/51/58/69/1087515869.db2.gz SWCXJUMAJQNPGC-AEFFLSMTSA-N 0 3 320.864 3.371 20 30 DGEDHN C=CCCC(=O)N[C@@H](CN[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC001483551336 1087522612 /nfs/dbraw/zinc/52/26/12/1087522612.db2.gz YMBFIQIJFTWLAM-PXAZEXFGSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cscn2)[C@@H](CC)C1 ZINC001483622131 1087560673 /nfs/dbraw/zinc/56/06/73/1087560673.db2.gz RUAGEPJVMOTTCP-HOCLYGCPSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001483641247 1087595108 /nfs/dbraw/zinc/59/51/08/1087595108.db2.gz FOGGQWDIOJWFCI-QUCCMNQESA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)[C@H]1C ZINC001088879714 1087595603 /nfs/dbraw/zinc/59/56/03/1087595603.db2.gz INFBNQBWPMGRPQ-QZWWFDLISA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2Cl)[C@H]1C ZINC001088881340 1087595941 /nfs/dbraw/zinc/59/59/41/1087595941.db2.gz JJZIGCLBDHYSOU-RISCZKNCSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H]1C ZINC001088883408 1087597079 /nfs/dbraw/zinc/59/70/79/1087597079.db2.gz NJRJVYBIHWZKOH-PBHICJAKSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001483649925 1087603866 /nfs/dbraw/zinc/60/38/66/1087603866.db2.gz PGLDPXZWKCMABV-KGLIPLIRSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001483649924 1087604050 /nfs/dbraw/zinc/60/40/50/1087604050.db2.gz PGLDPXZWKCMABV-KBPBESRZSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001483664061 1087612117 /nfs/dbraw/zinc/61/21/17/1087612117.db2.gz LMWGGCWJFSWYLM-QGZVFWFLSA-N 0 3 315.461 3.249 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@H]1C ZINC001089019846 1087622107 /nfs/dbraw/zinc/62/21/07/1087622107.db2.gz GPMCMFQHNRTWMC-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC(C)C)cc2)[C@H]1C ZINC001089019978 1087622213 /nfs/dbraw/zinc/62/22/13/1087622213.db2.gz MJEHTQMBJZBTOD-QAPCUYQASA-N 0 3 316.445 3.243 20 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/nfs/dbraw/zinc/43/18/09/1089431809.db2.gz SFABQQVFKDPFQU-UHFFFAOYSA-N 0 3 316.470 3.140 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)c(C)s2)CC1 ZINC001161834921 1089433099 /nfs/dbraw/zinc/43/30/99/1089433099.db2.gz YOTYSPRHVOOSFG-UHFFFAOYSA-N 0 3 304.459 3.303 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CCNCc2nc(C)c(C)s2)C1 ZINC001484512390 1089453062 /nfs/dbraw/zinc/45/30/62/1089453062.db2.gz GIIPALQYCLAORW-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cncc3ccccc32)CC1 ZINC001161931354 1089478677 /nfs/dbraw/zinc/47/86/77/1089478677.db2.gz MSUTZBLJFHFKGT-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](F)C1 ZINC001484554537 1089489056 /nfs/dbraw/zinc/48/90/56/1089489056.db2.gz YREMGZRJQNZTKH-MAUKXSAKSA-N 0 3 318.436 3.449 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccccc2CC)cc1 ZINC001484560719 1089494421 /nfs/dbraw/zinc/49/44/21/1089494421.db2.gz GXBNKIWBQOIIRM-MRXNPFEDSA-N 0 3 320.436 3.463 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(F)ccc2C)cc1 ZINC001484561899 1089496985 /nfs/dbraw/zinc/49/69/85/1089496985.db2.gz SJISXQSXZJACMZ-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001161968292 1089497605 /nfs/dbraw/zinc/49/76/05/1089497605.db2.gz NQVXDSFJFVBWMG-IRXDYDNUSA-N 0 3 316.489 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cnc(C(C)C)s2)CC1 ZINC001162021848 1089530251 /nfs/dbraw/zinc/53/02/51/1089530251.db2.gz VXMQKPVHWDHXAD-UHFFFAOYSA-N 0 3 319.474 3.205 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cn(CC)c2ccccc12 ZINC001162112259 1089555649 /nfs/dbraw/zinc/55/56/49/1089555649.db2.gz BURGRFVCYBDPLR-UHFFFAOYSA-N 0 3 319.836 3.123 20 30 DGEDHN N#Cc1ccnc(NC[C@@H](c2ccccc2)N2CCCC2)c1F ZINC001156530256 1089563080 /nfs/dbraw/zinc/56/30/80/1089563080.db2.gz IKIROIJDXSDLOQ-INIZCTEOSA-N 0 3 310.376 3.341 20 30 DGEDHN CCCCCCCCC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001156548676 1089579833 /nfs/dbraw/zinc/57/98/33/1089579833.db2.gz ACMAKLMFXOYEAC-GOSISDBHSA-N 0 3 324.509 3.213 20 30 DGEDHN C=C[C@H](C(=O)NCC1(NC[C@@H](F)CC)CCC1)c1ccccc1 ZINC001484662907 1089582371 /nfs/dbraw/zinc/58/23/71/1089582371.db2.gz AEISMVLSCBXHCZ-IRXDYDNUSA-N 0 3 318.436 3.333 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1C1CCC1 ZINC001156641607 1089621142 /nfs/dbraw/zinc/62/11/42/1089621142.db2.gz HUVDKIIHRUETHX-MRXNPFEDSA-N 0 3 312.457 3.418 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccsc1C(F)F ZINC001156648699 1089626270 /nfs/dbraw/zinc/62/62/70/1089626270.db2.gz UYYBBHFBCPQQPG-LLVKDONJSA-N 0 3 314.401 3.149 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCSc1ccc(C)cc1 ZINC001156668596 1089633579 /nfs/dbraw/zinc/63/35/79/1089633579.db2.gz VNAKXEMNPSFNKO-UHFFFAOYSA-N 0 3 320.502 3.444 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001162251949 1089637508 /nfs/dbraw/zinc/63/75/08/1089637508.db2.gz ZGIZZSNHOIRMDG-DLBZAZTESA-N 0 3 320.864 3.419 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001484763945 1089651525 /nfs/dbraw/zinc/65/15/25/1089651525.db2.gz FAIYDVDBOKJMPE-UHFFFAOYSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCN(C)Cc2cccnc2C)C1 ZINC001484757528 1089664761 /nfs/dbraw/zinc/66/47/61/1089664761.db2.gz WTKYWOCKRMOMKV-UHFFFAOYSA-N 0 3 315.461 3.027 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001484768837 1089680091 /nfs/dbraw/zinc/68/00/91/1089680091.db2.gz HXIGSHNQLFDPSC-UHFFFAOYSA-N 0 3 312.413 3.158 20 30 DGEDHN C#CCCCCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001156811197 1089701842 /nfs/dbraw/zinc/70/18/42/1089701842.db2.gz CNEMSQVGVNWTDK-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C\C ZINC001484822375 1089702489 /nfs/dbraw/zinc/70/24/89/1089702489.db2.gz PKYBBOYMVGFZGS-YVDYPEBHSA-N 0 3 312.457 3.462 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2ccn(C)c2c1 ZINC001485001200 1089825070 /nfs/dbraw/zinc/82/50/70/1089825070.db2.gz NLHLKUNVFSXPLZ-ZDUSSCGKSA-N 0 3 319.836 3.029 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001485004379 1089838663 /nfs/dbraw/zinc/83/86/63/1089838663.db2.gz MQRRSAXOIGFHCX-IBGZPJMESA-N 0 3 312.457 3.304 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001485004213 1089841085 /nfs/dbraw/zinc/84/10/85/1089841085.db2.gz LLSJFQWSZOGIOF-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C#CC(C)(C)C ZINC001485003710 1089841707 /nfs/dbraw/zinc/84/17/07/1089841707.db2.gz FUYMFEZEHDQHQP-LJQANCHMSA-N 0 3 324.468 3.328 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(CC)Cc2cnc(C)o2)CC1 ZINC001485029149 1089851828 /nfs/dbraw/zinc/85/18/28/1089851828.db2.gz IVHRYQKDYAZOIN-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)CCCc1ccccc1 ZINC001157177698 1089857415 /nfs/dbraw/zinc/85/74/15/1089857415.db2.gz RJRPTVKHBVHJQA-QZTJIDSGSA-N 0 3 314.473 3.105 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2c(cccc2C)o1 ZINC001157190141 1089864738 /nfs/dbraw/zinc/86/47/38/1089864738.db2.gz CCYHEGVPBLKAGX-OAHLLOKOSA-N 0 3 312.413 3.205 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)cc1C ZINC001485075689 1089927569 /nfs/dbraw/zinc/92/75/69/1089927569.db2.gz OBVVLLGNNQOUGN-KRWDZBQOSA-N 0 3 300.446 3.334 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc2c(c1)CC/C2=N/O ZINC001162779193 1089952921 /nfs/dbraw/zinc/95/29/21/1089952921.db2.gz WNYAVRXORLZCNI-XOWCUBAISA-N 0 3 306.369 3.170 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1c(C)cccc1Cl ZINC001485142174 1089980760 /nfs/dbraw/zinc/98/07/60/1089980760.db2.gz MQHHDDAKYWZWPH-LSDHHAIUSA-N 0 3 320.864 3.435 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485155013 1089992053 /nfs/dbraw/zinc/99/20/53/1089992053.db2.gz ZWUKPSSOXYSLLN-HOTGVXAUSA-N 0 3 316.420 3.016 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1(C)CC1 ZINC001089838824 1090002987 /nfs/dbraw/zinc/00/29/87/1090002987.db2.gz MUVSITKVBPWJRM-JONQDZQNSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001162927491 1090028815 /nfs/dbraw/zinc/02/88/15/1090028815.db2.gz PQTKGHUBEYRBEI-UHFFFAOYSA-N 0 3 322.836 3.496 20 30 DGEDHN C[C@@H](CNC(=O)/C=C\C(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001485287454 1090080566 /nfs/dbraw/zinc/08/05/66/1090080566.db2.gz RDAQMLHUKGKRSJ-KVPUOBJLSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc2c1CCCCC2 ZINC001485314353 1090094565 /nfs/dbraw/zinc/09/45/65/1090094565.db2.gz WTPJWIDRFMBSTF-OAHLLOKOSA-N 0 3 300.446 3.192 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001485361881 1090124366 /nfs/dbraw/zinc/12/43/66/1090124366.db2.gz AAUQIKZLHOFYQJ-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN N#Cc1ncc(N[C@H]2CNCc3ccsc32)cc1C(F)(F)F ZINC001163228956 1090126837 /nfs/dbraw/zinc/12/68/37/1090126837.db2.gz MTVBANNFGRHXSK-LBPRGKRZSA-N 0 3 324.331 3.290 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485354710 1090131302 /nfs/dbraw/zinc/13/13/02/1090131302.db2.gz AJYZNMLRTNMBBK-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@H]1CCCc2ccccc21 ZINC001485376222 1090135903 /nfs/dbraw/zinc/13/59/03/1090135903.db2.gz RUZDDGFPMQFMBJ-DOTOQJQBSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2c(cccc2F)s1 ZINC001485382400 1090138714 /nfs/dbraw/zinc/13/87/14/1090138714.db2.gz KPJXPFYQQURUBH-LLVKDONJSA-N 0 3 306.406 3.277 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccccc1CC ZINC001158113875 1090186204 /nfs/dbraw/zinc/18/62/04/1090186204.db2.gz YKACMFAXVMGTQK-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001158206996 1090201858 /nfs/dbraw/zinc/20/18/58/1090201858.db2.gz WPNXZQIPERHGFG-CVEARBPZSA-N 0 3 320.864 3.275 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2cccc(F)c2Cl)C1 ZINC001485676594 1090238674 /nfs/dbraw/zinc/23/86/74/1090238674.db2.gz HWPRWVXDAPHOPF-MQMHXKEQSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCCC(=O)NCCC1(CNCC=C(Cl)Cl)CC1 ZINC001163746649 1090248809 /nfs/dbraw/zinc/24/88/09/1090248809.db2.gz SVDOSYBSDXTNMJ-UHFFFAOYSA-N 0 3 305.249 3.148 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001485712420 1090252151 /nfs/dbraw/zinc/25/21/51/1090252151.db2.gz ZCSUECWLYUPTFG-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](F)c2ccccc2)cc1 ZINC001272700769 1090257720 /nfs/dbraw/zinc/25/77/20/1090257720.db2.gz NGJHEXUHGRKUGN-BEFAXECRSA-N 0 3 324.399 3.297 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001164221680 1090376787 /nfs/dbraw/zinc/37/67/87/1090376787.db2.gz CWYKONNETKZTHI-CHWSQXEVSA-N 0 3 310.388 3.019 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164223263 1090377821 /nfs/dbraw/zinc/37/78/21/1090377821.db2.gz RSGNMSHEJXAFLV-OLZOCXBDSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164346112 1090407801 /nfs/dbraw/zinc/40/78/01/1090407801.db2.gz LAVHFRLGZFNIFN-AWEZNQCLSA-N 0 3 321.465 3.305 20 30 DGEDHN C#CCCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107372399 1090428493 /nfs/dbraw/zinc/42/84/93/1090428493.db2.gz FEMUOHWHKDGWEB-HQZILIFWSA-N 0 3 322.880 3.293 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001127764097 1090430753 /nfs/dbraw/zinc/43/07/53/1090430753.db2.gz TWWFCMZDBKPLDJ-APWZRJJASA-N 0 3 312.457 3.370 20 30 DGEDHN N#Cc1ccc2c(c1)CCN(c1ncccc1CN1CCCC1)C2 ZINC001164488936 1090432882 /nfs/dbraw/zinc/43/28/82/1090432882.db2.gz SCJUJWMZZGZOLJ-UHFFFAOYSA-N 0 3 318.424 3.112 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCC1(CNCc2ccns2)CC1 ZINC001165221193 1090483025 /nfs/dbraw/zinc/48/30/25/1090483025.db2.gz RVYVUXHMYBFUFJ-UHFFFAOYSA-N 0 3 321.490 3.122 20 30 DGEDHN C=CCCCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001165560148 1090530457 /nfs/dbraw/zinc/53/04/57/1090530457.db2.gz QGMHDLJNKSAWBG-CYBMUJFWSA-N 0 3 310.388 3.478 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001165873489 1090555422 /nfs/dbraw/zinc/55/54/22/1090555422.db2.gz XHGOWLFSDBFREB-RBSFLKMASA-N 0 3 310.869 3.051 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001165872388 1090555433 /nfs/dbraw/zinc/55/54/33/1090555433.db2.gz ORXDNTURLWJXHH-ILXRZTDVSA-N 0 3 310.869 3.051 20 30 DGEDHN C=C1CCC(C(=O)NCCCNCc2ccc(F)cc2F)CC1 ZINC001165900624 1090558812 /nfs/dbraw/zinc/55/88/12/1090558812.db2.gz JUIYNQFUCQCQSU-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1oc(CCC)nc1C ZINC001165921671 1090561939 /nfs/dbraw/zinc/56/19/39/1090561939.db2.gz QGZUSIDXAIWJGV-GOSISDBHSA-N 0 3 321.465 3.134 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN[C@@H](C)c2c(F)cccc2F)C1 ZINC001166225967 1090590175 /nfs/dbraw/zinc/59/01/75/1090590175.db2.gz YNEGIHRWMJUDFG-ZDUSSCGKSA-N 0 3 322.399 3.478 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001166336299 1090597151 /nfs/dbraw/zinc/59/71/51/1090597151.db2.gz ZUUOENOAHSIPFI-HRCADAONSA-N 0 3 324.896 3.441 20 30 DGEDHN COCC#CCN[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC001168604186 1090601210 /nfs/dbraw/zinc/60/12/10/1090601210.db2.gz LDDWLRDBDUQQMB-MRXNPFEDSA-N 0 3 319.445 3.421 20 30 DGEDHN COc1ccc([C@@H]2C[C@@H](NCc3cc(C#N)co3)CCO2)cc1 ZINC001168624439 1090634158 /nfs/dbraw/zinc/63/41/58/1090634158.db2.gz OHDVUTPVTUKRQW-YJBOKZPZSA-N 0 3 312.369 3.170 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccccc2CC)CC1 ZINC001166869531 1090670556 /nfs/dbraw/zinc/67/05/56/1090670556.db2.gz CAZZHBOEECBRPK-UHFFFAOYSA-N 0 3 320.864 3.491 20 30 DGEDHN C=CCCCC(=O)NCCC1(CNCc2c(C)noc2C)CC1 ZINC001166910698 1090676249 /nfs/dbraw/zinc/67/62/49/1090676249.db2.gz YLAMNDWIMLBMLG-UHFFFAOYSA-N 0 3 319.449 3.024 20 30 DGEDHN C=CCCCC(=O)NCCC1(CNCc2nc(C)cs2)CC1 ZINC001166910381 1090676294 /nfs/dbraw/zinc/67/62/94/1090676294.db2.gz SDFZNCSLCZDEPL-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2CCC(=C)CC2)CC1 ZINC001167012301 1090694400 /nfs/dbraw/zinc/69/44/00/1090694400.db2.gz MDFAMSOVMIXTCL-UHFFFAOYSA-N 0 3 310.869 3.361 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001485868663 1090713043 /nfs/dbraw/zinc/71/30/43/1090713043.db2.gz NROWPRMFZDCJDY-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001485868661 1090713654 /nfs/dbraw/zinc/71/36/54/1090713654.db2.gz NROWPRMFZDCJDY-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001485870782 1090717487 /nfs/dbraw/zinc/71/74/87/1090717487.db2.gz IMDJUBABLXAWMY-ZDUSSCGKSA-N 0 3 324.827 3.075 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C2CCCC2)cc1 ZINC001485901964 1090722124 /nfs/dbraw/zinc/72/21/24/1090722124.db2.gz PAATULKBNDGMPB-MRXNPFEDSA-N 0 3 312.457 3.418 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccccc1F)C2 ZINC001203347285 1090723084 /nfs/dbraw/zinc/72/30/84/1090723084.db2.gz BXUNLEOFDOYYOQ-RBUKOAKNSA-N 0 3 319.420 3.399 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cnco2)[C@H]1C ZINC001486176381 1090775200 /nfs/dbraw/zinc/77/52/00/1090775200.db2.gz KUDVVGLLXGSFIY-HUUCEWRRSA-N 0 3 307.438 3.228 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCOCCCC)[C@@H]2C)C1 ZINC001486182229 1090779993 /nfs/dbraw/zinc/77/99/93/1090779993.db2.gz VDEGQPIPVPJVES-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001486185156 1090782124 /nfs/dbraw/zinc/78/21/24/1090782124.db2.gz FCJTUIKEJTWQGK-HZPDHXFCSA-N 0 3 306.494 3.441 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2c(C)cc(C)cc2C)C1 ZINC001203740143 1090792444 /nfs/dbraw/zinc/79/24/44/1090792444.db2.gz CZXWUXAKOQRNQN-KRWDZBQOSA-N 0 3 316.445 3.488 20 30 DGEDHN N#Cc1cccc(CN2CCC(COc3cccnc3)CC2)c1 ZINC001203758052 1090797259 /nfs/dbraw/zinc/79/72/59/1090797259.db2.gz YPTJUOHMCVGJJO-UHFFFAOYSA-N 0 3 307.397 3.244 20 30 DGEDHN CCN(CCN(C)C(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC001203764831 1090801087 /nfs/dbraw/zinc/80/10/87/1090801087.db2.gz ZVXAZEVDETVSMX-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN C=CCN(C)CCN(C(=O)C1C2CC3CC(C2)CC1C3)C(C)C ZINC001486370398 1090810949 /nfs/dbraw/zinc/81/09/49/1090810949.db2.gz RUUWLWOMSNLGFZ-UHFFFAOYSA-N 0 3 318.505 3.414 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(C(C)C)n1)C(C)C ZINC001486371356 1090810965 /nfs/dbraw/zinc/81/09/65/1090810965.db2.gz AZLISXZABBPMGY-UHFFFAOYSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(C)C ZINC001486370297 1090811202 /nfs/dbraw/zinc/81/12/02/1090811202.db2.gz TZDWQOBFUWHURQ-FGTMMUONSA-N 0 3 304.478 3.334 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC001203822664 1090813284 /nfs/dbraw/zinc/81/32/84/1090813284.db2.gz YCQKZDYYAIEWGO-MOPGFXCFSA-N 0 3 317.429 3.021 20 30 DGEDHN CC(C)(C)[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccco1 ZINC001486384329 1090819702 /nfs/dbraw/zinc/81/97/02/1090819702.db2.gz YSWBVBOPDSWQOK-GOSISDBHSA-N 0 3 324.424 3.065 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001486442332 1090841377 /nfs/dbraw/zinc/84/13/77/1090841377.db2.gz MBMTZUXSXAHJHT-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCC(C)C)CC[C@@H]1C(F)(F)F ZINC001486452920 1090843475 /nfs/dbraw/zinc/84/34/75/1090843475.db2.gz RJWNXJGRCQAIDO-UONOGXRCSA-N 0 3 320.399 3.368 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC[C@@H](C)CC)CC2)CC1 ZINC001486491325 1090855447 /nfs/dbraw/zinc/85/54/47/1090855447.db2.gz QVZCSNOYRMPFSC-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H]3CC=CCC3)CC2)CC1 ZINC001486489153 1090855812 /nfs/dbraw/zinc/85/58/12/1090855812.db2.gz BXNQCPXYGPBHPP-KRWDZBQOSA-N 0 3 314.473 3.117 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCC2(C)C)c(F)c1 ZINC001486524827 1090868455 /nfs/dbraw/zinc/86/84/55/1090868455.db2.gz OKBQAHBGBHXVEP-HNNXBMFYSA-N 0 3 304.409 3.154 20 30 DGEDHN C=CCOC(=O)N1CCC2(CN(Cc3sccc3C)C2)CC1 ZINC001204019049 1090870578 /nfs/dbraw/zinc/87/05/78/1090870578.db2.gz LQMQIBFLVVDVBQ-UHFFFAOYSA-N 0 3 320.458 3.277 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001276439382 1090895538 /nfs/dbraw/zinc/89/55/38/1090895538.db2.gz CEBPIACQHDMKIB-HZPDHXFCSA-N 0 3 300.446 3.111 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1cc(F)ccc1C ZINC001128208977 1090906931 /nfs/dbraw/zinc/90/69/31/1090906931.db2.gz LHVATNZNZSIVSS-UHFFFAOYSA-N 0 3 312.816 3.119 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](CC(=O)OC)C2)cc1 ZINC001204303375 1090944374 /nfs/dbraw/zinc/94/43/74/1090944374.db2.gz GFFGLHOVVWVXFA-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccccc1C#N)CC2 ZINC001204370501 1090957778 /nfs/dbraw/zinc/95/77/78/1090957778.db2.gz ATAXCNMKWHYBGV-FQEVSTJZSA-N 0 3 323.440 3.091 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1cc(C)ns1 ZINC001272994281 1090972806 /nfs/dbraw/zinc/97/28/06/1090972806.db2.gz XJYRIRXAQPENEP-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001273000842 1090980231 /nfs/dbraw/zinc/98/02/31/1090980231.db2.gz ZFEYSYGGWJPEEE-HNNXBMFYSA-N 0 3 310.850 3.012 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1cccc(F)c1C)CC2 ZINC001204510203 1090986400 /nfs/dbraw/zinc/98/64/00/1090986400.db2.gz VOPNLARZIJGTKL-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3csc(C#N)c3)c2)CC1 ZINC001204516710 1090989425 /nfs/dbraw/zinc/98/94/25/1090989425.db2.gz AIPXOQFENUDYEQ-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN C#Cc1ccccc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001204758304 1091031765 /nfs/dbraw/zinc/03/17/65/1091031765.db2.gz FLFLDOMBYJBEJZ-UHFFFAOYSA-N 0 3 305.425 3.159 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2c(C)cccn2c1 ZINC001273111768 1091044957 /nfs/dbraw/zinc/04/49/57/1091044957.db2.gz DWABUPSNRVWGIB-CQSZACIVSA-N 0 3 319.836 3.098 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108115622 1091094962 /nfs/dbraw/zinc/09/49/62/1091094962.db2.gz RXKXRHWDMCMAAU-LPHOPBHVSA-N 0 3 322.493 3.151 20 30 DGEDHN CC(C)c1ccccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001128864800 1091100437 /nfs/dbraw/zinc/10/04/37/1091100437.db2.gz LNTKAJGVIMGPEQ-UHFFFAOYSA-N 0 3 321.424 3.201 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)c(F)cc(F)c3F)CCC2S1 ZINC001138230895 1091121317 /nfs/dbraw/zinc/12/13/17/1091121317.db2.gz KCKFKKGWQMEHAD-NSHDSACASA-N 0 3 317.307 3.017 20 30 DGEDHN C(#Cc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1)c1ccccc1 ZINC001138335078 1091143318 /nfs/dbraw/zinc/14/33/18/1091143318.db2.gz FNGJKVPJPFCTDZ-NHCUHLMSSA-N 0 3 303.405 3.450 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108149349 1091154059 /nfs/dbraw/zinc/15/40/59/1091154059.db2.gz UWAFHOWBRABGQV-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1cccc(F)c1C#N ZINC001205261789 1091155632 /nfs/dbraw/zinc/15/56/32/1091155632.db2.gz MWYOSBRTQMFEQZ-MGPUTAFESA-N 0 3 323.415 3.307 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3sccc3Cl)C2)C1=O ZINC001205326871 1091187309 /nfs/dbraw/zinc/18/73/09/1091187309.db2.gz NXAPKJLAPDRUIZ-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001205404607 1091212264 /nfs/dbraw/zinc/21/22/64/1091212264.db2.gz HTJMOMXVKSWKTJ-ZROIWOOFSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ncccc2C)CCC1 ZINC001273142372 1091215110 /nfs/dbraw/zinc/21/51/10/1091215110.db2.gz ZOZDHRLZQUKVOU-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCOc1ccc(CN2CCN(CCCCC)CC2)cc1 ZINC001138559404 1091228713 /nfs/dbraw/zinc/22/87/13/1091228713.db2.gz TWSYUYBKGHZQOM-UHFFFAOYSA-N 0 3 300.446 3.006 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1[O-] ZINC001138624527 1091260758 /nfs/dbraw/zinc/26/07/58/1091260758.db2.gz NOCBKOCUUAPSJG-UHFFFAOYSA-N 0 3 308.425 3.443 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001138630266 1091263563 /nfs/dbraw/zinc/26/35/63/1091263563.db2.gz UNHGFTHQAIDYBT-INIZCTEOSA-N 0 3 309.356 3.121 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001138630266 1091263571 /nfs/dbraw/zinc/26/35/71/1091263571.db2.gz UNHGFTHQAIDYBT-INIZCTEOSA-N 0 3 309.356 3.121 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1[O-] ZINC001138629551 1091263985 /nfs/dbraw/zinc/26/39/85/1091263985.db2.gz CSDKTKXJZSGHSI-SFHVURJKSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1[O-] ZINC001138629551 1091263992 /nfs/dbraw/zinc/26/39/92/1091263992.db2.gz CSDKTKXJZSGHSI-SFHVURJKSA-N 0 3 310.397 3.169 20 30 DGEDHN C[C@H](c1ccccn1)N1CC[C@@H](OCc2ccccc2C#N)C1 ZINC001205584729 1091266359 /nfs/dbraw/zinc/26/63/59/1091266359.db2.gz GGWJVBGOMLSUBI-CRAIPNDOSA-N 0 3 307.397 3.305 20 30 DGEDHN CC(C)[C@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001273165776 1091304679 /nfs/dbraw/zinc/30/46/79/1091304679.db2.gz DPPVDADPPJYIIT-ZDUSSCGKSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108188142 1091368564 /nfs/dbraw/zinc/36/85/64/1091368564.db2.gz QRJJPIGLAQWHAC-OALUTQOASA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOc1ccccc1CN1CCCN(c2cccnc2)CC1 ZINC001139030337 1091424553 /nfs/dbraw/zinc/42/45/53/1091424553.db2.gz FMMMZUUFXALWPH-UHFFFAOYSA-N 0 3 323.440 3.359 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@H](C(=O)OCCCC)C1 ZINC001139031076 1091425009 /nfs/dbraw/zinc/42/50/09/1091425009.db2.gz RYGJLBPNIQZGSJ-KRWDZBQOSA-N 0 3 317.429 3.417 20 30 DGEDHN CC#CCNC1(CNC(=O)CC2CCC(C)(C)CC2)CCC1 ZINC001273208567 1091427460 /nfs/dbraw/zinc/42/74/60/1091427460.db2.gz PPUFJXOQSZKUGD-UHFFFAOYSA-N 0 3 304.478 3.245 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001084365821 1091482214 /nfs/dbraw/zinc/48/22/14/1091482214.db2.gz RYLLTGQMFCKAKM-RCCFBDPRSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001084454458 1091489800 /nfs/dbraw/zinc/48/98/00/1091489800.db2.gz QQBXHRGZQHZUIF-YZGWKJHDSA-N 0 3 324.468 3.215 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC=CCCC3)[C@@H]2C1 ZINC001084445974 1091493517 /nfs/dbraw/zinc/49/35/17/1091493517.db2.gz NVNITKSCFQFSED-KZNAEPCWSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001084683163 1091532179 /nfs/dbraw/zinc/53/21/79/1091532179.db2.gz TYBDFERMRADQLY-RTBURBONSA-N 0 3 312.457 3.036 20 30 DGEDHN N#Cc1ccnc(-c2ccc(CN3CCC(C#N)CC3)cc2)c1 ZINC001139400404 1091547723 /nfs/dbraw/zinc/54/77/23/1091547723.db2.gz QXYBFNXQOKXSDY-UHFFFAOYSA-N 0 3 302.381 3.356 20 30 DGEDHN CCc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001202934800 1091558158 /nfs/dbraw/zinc/55/81/58/1091558158.db2.gz IBIZBPKGIZSHNL-CQSZACIVSA-N 0 3 302.399 3.055 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccccc3CC(C)C)[C@@H]2C1 ZINC001084860387 1091597979 /nfs/dbraw/zinc/59/79/79/1091597979.db2.gz NGCZXQALBDRUCT-UYAOXDASSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001084872245 1091601954 /nfs/dbraw/zinc/60/19/54/1091601954.db2.gz BXDRKRVPALSHMX-FGTMMUONSA-N 0 3 316.489 3.149 20 30 DGEDHN CCCCCCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001206407006 1091619269 /nfs/dbraw/zinc/61/92/69/1091619269.db2.gz HUPMAFIIJRADME-UKRRQHHQSA-N 0 3 323.506 3.472 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001202960445 1091643441 /nfs/dbraw/zinc/64/34/41/1091643441.db2.gz NNZYOSSUURWWES-ZIAGYGMSSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)C[C@@H]21 ZINC001085054905 1091652054 /nfs/dbraw/zinc/65/20/54/1091652054.db2.gz BPEMSZWYSSONHP-MDNKFWRPSA-N 0 3 324.468 3.207 20 30 DGEDHN COC(=O)c1cccc2[nH]cc(CN3CCC[C@H](C#N)CC3)c21 ZINC001139721118 1091653223 /nfs/dbraw/zinc/65/32/23/1091653223.db2.gz ACEVGGGBGVSFCR-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)s3)C[C@@H]21 ZINC001085074661 1091660239 /nfs/dbraw/zinc/66/02/39/1091660239.db2.gz WADUARRTBIGIRM-OAGGEKHMSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1C ZINC001206545256 1091663267 /nfs/dbraw/zinc/66/32/67/1091663267.db2.gz SOVUHLQERMUHKA-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCn1cc(CN2CCC3(CC2)OCc2ccccc23)cn1 ZINC001139770748 1091667397 /nfs/dbraw/zinc/66/73/97/1091667397.db2.gz ZIQAWNDYCPGVKY-UHFFFAOYSA-N 0 3 309.413 3.091 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C[C@@H]21 ZINC001085103211 1091669794 /nfs/dbraw/zinc/66/97/94/1091669794.db2.gz CLDYBWUNDUMBFG-ZACQAIPSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C[C@@H]21 ZINC001085103888 1091671049 /nfs/dbraw/zinc/67/10/49/1091671049.db2.gz SMSKAIRBSUZVHK-ZACQAIPSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 ZINC001085118349 1091677737 /nfs/dbraw/zinc/67/77/37/1091677737.db2.gz AGOAMHGLEGOHTA-HUUCEWRRSA-N 0 3 310.800 3.209 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139876837 1091698442 /nfs/dbraw/zinc/69/84/42/1091698442.db2.gz NTZXDMFDARQDKH-UHFFFAOYSA-N 0 3 324.403 3.140 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CSC ZINC001098971402 1091698494 /nfs/dbraw/zinc/69/84/94/1091698494.db2.gz NWPXJRSFVXRPFQ-GJZGRUSLSA-N 0 3 312.523 3.168 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001139883677 1091701664 /nfs/dbraw/zinc/70/16/64/1091701664.db2.gz CTAXWUHCMSLMAK-QGZVFWFLSA-N 0 3 314.429 3.441 20 30 DGEDHN Cc1nc(C2CCN(Cc3c[nH]c4ccc(C#N)cc34)CC2)no1 ZINC001140114831 1091772933 /nfs/dbraw/zinc/77/29/33/1091772933.db2.gz BVXQXFIWIOUPPD-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1C ZINC001206884772 1091783906 /nfs/dbraw/zinc/78/39/06/1091783906.db2.gz DXDAJBLUZULWJE-HKCWIBIESA-N 0 3 324.468 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)c2ccco2)C1 ZINC001316660571 1091788748 /nfs/dbraw/zinc/78/87/48/1091788748.db2.gz PGQQQRCZPNAXLT-HZSPNIEDSA-N 0 3 310.825 3.010 20 30 DGEDHN C=CCN(Cc1cnc2cnc(Br)cn12)C(C)(C)C ZINC001140244613 1091807199 /nfs/dbraw/zinc/80/71/99/1091807199.db2.gz IGKZKGQWDMKQMI-UHFFFAOYSA-N 0 3 323.238 3.278 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001206971693 1091809978 /nfs/dbraw/zinc/80/99/78/1091809978.db2.gz XUWGRHWKZODGEP-NXHRZFHOSA-N 0 3 322.493 3.127 20 30 DGEDHN C[C@@H]1OC2(CCN(Cc3cc(C#N)n(C)c3)CC2)c2ccccc21 ZINC001207108928 1091847965 /nfs/dbraw/zinc/84/79/65/1091847965.db2.gz PXXPBFPOQZVTSV-HNNXBMFYSA-N 0 3 321.424 3.479 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[C@@H](C)CCC)C1 ZINC001207120391 1091852364 /nfs/dbraw/zinc/85/23/64/1091852364.db2.gz OVKHFLWBYFORTM-RCCFBDPRSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001297373714 1091871302 /nfs/dbraw/zinc/87/13/02/1091871302.db2.gz ZXCNRLCAQXDURF-GOSISDBHSA-N 0 3 318.461 3.155 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001085734329 1091902705 /nfs/dbraw/zinc/90/27/05/1091902705.db2.gz DUVQFTLHVIEFQO-KRWDZBQOSA-N 0 3 315.461 3.119 20 30 DGEDHN COc1cccc(C[C@H]2CCCN(Cc3ccc(C#N)nc3)C2)c1 ZINC001140546229 1091903550 /nfs/dbraw/zinc/90/35/50/1091903550.db2.gz AEYYVKCDSGKMCW-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)C2CCOCC2)cn1 ZINC001140544487 1091903872 /nfs/dbraw/zinc/90/38/72/1091903872.db2.gz RAXRIIKZWJIRBA-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001085756810 1091914577 /nfs/dbraw/zinc/91/45/77/1091914577.db2.gz QYQDWDRHSYEPIT-INIZCTEOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085779463 1091927678 /nfs/dbraw/zinc/92/76/78/1091927678.db2.gz WEFZJBKHFSCSGV-OAHLLOKOSA-N 0 3 303.450 3.251 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(F)ccc(C)c1F ZINC001085799904 1091943711 /nfs/dbraw/zinc/94/37/11/1091943711.db2.gz FSEAZUGOFJAWAB-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001207468816 1091977478 /nfs/dbraw/zinc/97/74/78/1091977478.db2.gz FDJHCOZEWLRYNB-HDMKZQKVSA-N 0 3 318.436 3.017 20 30 DGEDHN N#CC1(c2ccccc2F)CCN(C[C@H]2CCCOC2)CC1 ZINC001207469825 1091979766 /nfs/dbraw/zinc/97/97/66/1091979766.db2.gz QCWIDCLBKLRVNX-OAHLLOKOSA-N 0 3 302.393 3.109 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001085865623 1091989820 /nfs/dbraw/zinc/98/98/20/1091989820.db2.gz JFHRFTQJKIOHBJ-HYVNUMGLSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001085868354 1091991377 /nfs/dbraw/zinc/99/13/77/1091991377.db2.gz NMBJQOXZDADDGR-NZSAHSFTSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001085875960 1091994181 /nfs/dbraw/zinc/99/41/81/1091994181.db2.gz NHSGJYHMPGFPMJ-HNNXBMFYSA-N 0 3 308.372 3.347 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1Cl ZINC001085879821 1091995087 /nfs/dbraw/zinc/99/50/87/1091995087.db2.gz HKRGHVQPDLRPIS-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(F)cc1C)C2 ZINC001140779811 1091995372 /nfs/dbraw/zinc/99/53/72/1091995372.db2.gz BMAPPMYMPSBPEG-RBUKOAKNSA-N 0 3 319.420 3.460 20 30 DGEDHN N#Cc1cccc(N2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC001207517712 1092004955 /nfs/dbraw/zinc/00/49/55/1092004955.db2.gz WTCFKOHZWJDHQA-UHFFFAOYSA-N 0 3 309.388 3.062 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085945738 1092034176 /nfs/dbraw/zinc/03/41/76/1092034176.db2.gz QAPZWXRYLINELU-GFCCVEGCSA-N 0 3 312.866 3.432 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2ncsc2c1 ZINC001085957765 1092047206 /nfs/dbraw/zinc/04/72/06/1092047206.db2.gz JGLVRZKOTWKNAI-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2ncsc2c1 ZINC001085957764 1092048181 /nfs/dbraw/zinc/04/81/81/1092048181.db2.gz JGLVRZKOTWKNAI-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001298488830 1092064935 /nfs/dbraw/zinc/06/49/35/1092064935.db2.gz DHSYTFKQHYSVES-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1CC ZINC001085976523 1092066993 /nfs/dbraw/zinc/06/69/93/1092066993.db2.gz ZJDUTWJQQNJJRS-OAHLLOKOSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001085989488 1092074821 /nfs/dbraw/zinc/07/48/21/1092074821.db2.gz SBUVPMSLMCZZCK-HIEASXQVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1sccc1CC ZINC001085985828 1092075811 /nfs/dbraw/zinc/07/58/11/1092075811.db2.gz NYHUXSQVVCCFCS-OAHLLOKOSA-N 0 3 306.475 3.423 20 30 DGEDHN C#Cc1ccccc1CC(=O)Nc1cnccc1NC(CC)CC ZINC001298610431 1092078671 /nfs/dbraw/zinc/07/86/71/1092078671.db2.gz VPHWOXZPBIQPEZ-UHFFFAOYSA-N 0 3 321.424 3.267 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001085995496 1092080287 /nfs/dbraw/zinc/08/02/87/1092080287.db2.gz NPEDDFSCPFUXJW-FGTMMUONSA-N 0 3 316.420 3.038 20 30 DGEDHN CC(C)(C)OC(=O)N1CC(CCN(CCC#N)C2CCCC2)C1 ZINC001207765704 1092095500 /nfs/dbraw/zinc/09/55/00/1092095500.db2.gz LGCKSGSPJBEXHN-UHFFFAOYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001086084079 1092128373 /nfs/dbraw/zinc/12/83/73/1092128373.db2.gz BMVLCYZCWPEARV-ZZVYKPCYSA-N 0 3 322.836 3.254 20 30 DGEDHN C=CCCCCCCCCCN1CC(N2CCN(C)CC2)C1 ZINC001207899736 1092132815 /nfs/dbraw/zinc/13/28/15/1092132815.db2.gz KFVLERDYOFPWPD-UHFFFAOYSA-N 0 3 307.526 3.225 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001086130663 1092138033 /nfs/dbraw/zinc/13/80/33/1092138033.db2.gz UWPVZQHXJNGSTI-JONQDZQNSA-N 0 3 312.885 3.440 20 30 DGEDHN CC(C)N(CCCCCO)Cc1sc(N)c(C#N)c1Cl ZINC001141113614 1092141885 /nfs/dbraw/zinc/14/18/85/1092141885.db2.gz MIXUSVVOVADCTE-UHFFFAOYSA-N 0 3 315.870 3.228 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246893 1092148054 /nfs/dbraw/zinc/14/80/54/1092148054.db2.gz XLMWMYDBQZRAAG-VQIMIIECSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC001086176437 1092152240 /nfs/dbraw/zinc/15/22/40/1092152240.db2.gz ZWCUDKBZLFEEPY-BETUJISGSA-N 0 3 310.825 3.254 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001141168123 1092159398 /nfs/dbraw/zinc/15/93/98/1092159398.db2.gz HCYHPCIXPBGZSH-ZWKOTPCHSA-N 0 3 319.399 3.096 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001086241990 1092176897 /nfs/dbraw/zinc/17/68/97/1092176897.db2.gz YEZBNDAXWQSGQJ-DLTWYDFYSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001086265865 1092185175 /nfs/dbraw/zinc/18/51/75/1092185175.db2.gz AFUJXVIOSBKACA-GASCZTMLSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2cccnc2C)CC1 ZINC001273419525 1092204001 /nfs/dbraw/zinc/20/40/01/1092204001.db2.gz WLDOWILAVJFUFZ-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001086437171 1092252396 /nfs/dbraw/zinc/25/23/96/1092252396.db2.gz OCGPBQVMWLCCFR-UVPYHEFZSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001086445070 1092254699 /nfs/dbraw/zinc/25/46/99/1092254699.db2.gz BYWPGGTYCFANIV-CTYIDZIISA-N 0 3 324.827 3.293 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001086475801 1092266431 /nfs/dbraw/zinc/26/64/31/1092266431.db2.gz LCIGCUADOBZTJT-AVGNSLFASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001491874033 1092268048 /nfs/dbraw/zinc/26/80/48/1092268048.db2.gz LESJLXZGHNMRNG-HUUCEWRRSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001086486179 1092270484 /nfs/dbraw/zinc/27/04/84/1092270484.db2.gz JAPLUEVNRIUGIG-SHTZXODSSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001491882604 1092272353 /nfs/dbraw/zinc/27/23/53/1092272353.db2.gz OWXBUQKKAOQLCJ-KBPBESRZSA-N 0 3 321.490 3.262 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3occc3s2)C1 ZINC001491946579 1092315166 /nfs/dbraw/zinc/31/51/66/1092315166.db2.gz FHPZXNXEXCRCSH-ZDUSSCGKSA-N 0 3 316.426 3.054 20 30 DGEDHN CC[C@H](F)CN1CCC2(C[C@@H](C)N(C(=O)C#CC(C)C)C2)CC1 ZINC001316669913 1092322927 /nfs/dbraw/zinc/32/29/27/1092322927.db2.gz MISSYIMMKJIXAY-SJORKVTESA-N 0 3 322.468 3.097 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC(CC)CC)C1 ZINC001108305822 1092327148 /nfs/dbraw/zinc/32/71/48/1092327148.db2.gz AOBRUSIIHNFJRX-QFBILLFUSA-N 0 3 324.509 3.375 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001491965674 1092327644 /nfs/dbraw/zinc/32/76/44/1092327644.db2.gz RHMHGSGVQHYPAL-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001491961894 1092328765 /nfs/dbraw/zinc/32/87/65/1092328765.db2.gz BLTLCISTYIOTBK-GOSISDBHSA-N 0 3 320.436 3.400 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001208452653 1092357996 /nfs/dbraw/zinc/35/79/96/1092357996.db2.gz WOAYWHFGSPBVRY-SJLPKXTDSA-N 0 3 300.446 3.288 20 30 DGEDHN C[C@H](CCNC(=O)C1(C)CCCC1)NCc1ccccc1C#N ZINC001492064260 1092368418 /nfs/dbraw/zinc/36/84/18/1092368418.db2.gz PZERSNKXEDSOBE-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCCC(=O)N[C@H](C)CCCCNCc1cc(F)ccc1C#N ZINC001168823576 1092382465 /nfs/dbraw/zinc/38/24/65/1092382465.db2.gz ZLOPCSZGMHGPAE-CQSZACIVSA-N 0 3 319.424 3.262 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001208574857 1092403579 /nfs/dbraw/zinc/40/35/79/1092403579.db2.gz HELYDEJPKOTYEW-HDMKZQKVSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001108408753 1092424396 /nfs/dbraw/zinc/42/43/96/1092424396.db2.gz KQZMXKQMGXVWSR-QFBILLFUSA-N 0 3 324.509 3.375 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC001168925427 1092426632 /nfs/dbraw/zinc/42/66/32/1092426632.db2.gz OVWWNIWYMCPKCA-FCEWJHQRSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2cc(C)cc(C)c2)C1 ZINC001492406644 1092500153 /nfs/dbraw/zinc/50/01/53/1092500153.db2.gz GCUDQPVEPDETFU-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN N#Cc1ccc(CCCN2CCc3ccc(C#N)cc3C2)cc1 ZINC001208856703 1092546585 /nfs/dbraw/zinc/54/65/85/1092546585.db2.gz QSWMHAUFKMYIJE-UHFFFAOYSA-N 0 3 301.393 3.421 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208961796 1092611511 /nfs/dbraw/zinc/61/15/11/1092611511.db2.gz KKWOXAOSUMFDFP-NSHDSACASA-N 0 3 305.249 3.098 20 30 DGEDHN C#C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)c1ccccc1 ZINC001143134801 1092619843 /nfs/dbraw/zinc/61/98/43/1092619843.db2.gz AAXQEIWRBQYLCW-SFHVURJKSA-N 0 3 317.392 3.395 20 30 DGEDHN C=CCN(CCN1CC[C@@H](c2ccc(F)cc2)C1)C(=O)OCC ZINC001209021899 1092627506 /nfs/dbraw/zinc/62/75/06/1092627506.db2.gz GAZJUTUWDUFMAS-MRXNPFEDSA-N 0 3 320.408 3.260 20 30 DGEDHN C=CCN(CCN1CC[C@@H](c2cccc(F)c2)C1)C(=O)OCC ZINC001209021640 1092627732 /nfs/dbraw/zinc/62/77/32/1092627732.db2.gz AXJNJGVRJXBSQS-MRXNPFEDSA-N 0 3 320.408 3.260 20 30 DGEDHN CC1(C)CC[C@@H]1C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209122605 1092662698 /nfs/dbraw/zinc/66/26/98/1092662698.db2.gz SXNCVXFCQGZURT-RTBURBONSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209145488 1092671328 /nfs/dbraw/zinc/67/13/28/1092671328.db2.gz DKGPNWVJHWXFRM-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCN1Cc2cnn(CC3CC3)c2[C@H](COCC)C1 ZINC001209162010 1092678141 /nfs/dbraw/zinc/67/81/41/1092678141.db2.gz QJHREKCODBUQOJ-KRWDZBQOSA-N 0 3 303.450 3.195 20 30 DGEDHN C=CCCCCN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001209201204 1092691096 /nfs/dbraw/zinc/69/10/96/1092691096.db2.gz WOFCLUTVXJTMFC-QGZVFWFLSA-N 0 3 303.450 3.098 20 30 DGEDHN C=CCCCCN1CCC(n2c3ccccc3n(C)c2=O)CC1 ZINC001209204972 1092695630 /nfs/dbraw/zinc/69/56/30/1092695630.db2.gz NDJPAKKVFQDTKH-UHFFFAOYSA-N 0 3 313.445 3.333 20 30 DGEDHN C#CCCCN1Cc2cn(CC3CCCC3)nc2[C@H](COC)C1 ZINC001209263447 1092717702 /nfs/dbraw/zinc/71/77/02/1092717702.db2.gz LILKYBBWZFSVCL-SFHVURJKSA-N 0 3 315.461 3.032 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCCN(CCOc2ccccc2)C1 ZINC001209302047 1092730856 /nfs/dbraw/zinc/73/08/56/1092730856.db2.gz YXEIPTYXUGDQIE-IBGZPJMESA-N 0 3 322.408 3.480 20 30 DGEDHN C=CCCCCCCCCN(C)C1CCS(=O)(=O)CC1 ZINC001209446012 1092777313 /nfs/dbraw/zinc/77/73/13/1092777313.db2.gz OXKWXRLIHSHVPZ-UHFFFAOYSA-N 0 3 301.496 3.412 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001150411517 1092778182 /nfs/dbraw/zinc/77/81/82/1092778182.db2.gz WXWWYJQLLWOPKW-ROUUACIJSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)CCCCCC)C1 ZINC001150461671 1092783609 /nfs/dbraw/zinc/78/36/09/1092783609.db2.gz GZWLCPAHGYESCH-ROUUACIJSA-N 0 3 324.509 3.376 20 30 DGEDHN COc1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)ccn1 ZINC001209641925 1092861671 /nfs/dbraw/zinc/86/16/71/1092861671.db2.gz NNYOZDLDXRVQQQ-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)CCCCC1 ZINC001211347471 1093467330 /nfs/dbraw/zinc/46/73/30/1093467330.db2.gz VKRBKIKCZJZPOT-DLBZAZTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001211436168 1093494710 /nfs/dbraw/zinc/49/47/10/1093494710.db2.gz DMIIKZGBTKCVFE-UHFFFAOYSA-N 0 3 323.396 3.365 20 30 DGEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C#N)cc3N)cccc21 ZINC001213365626 1093573166 /nfs/dbraw/zinc/57/31/66/1093573166.db2.gz XLHGXSRHONLWBM-QGZVFWFLSA-N 0 3 308.385 3.269 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CC(CC)CC)[C@H](OC)C1 ZINC001213631238 1093629623 /nfs/dbraw/zinc/62/96/23/1093629623.db2.gz COOLNIUNNITGOH-QZTJIDSGSA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCN(C(=O)OCc1cccc(Cl)c1)C1CCN(C)CC1 ZINC001213831806 1093667633 /nfs/dbraw/zinc/66/76/33/1093667633.db2.gz KCVXLCSXUPQSND-UHFFFAOYSA-N 0 3 320.820 3.006 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215376732 1093971561 /nfs/dbraw/zinc/97/15/61/1093971561.db2.gz RRZOTEPECSFPJL-QWFCFKBJSA-N 0 3 324.468 3.077 20 30 DGEDHN N#Cc1cnc(Nc2ccc(CN3CCCCC3)c(F)c2)cn1 ZINC001215709901 1094037593 /nfs/dbraw/zinc/03/75/93/1094037593.db2.gz HYSCLYKVFZWHHE-UHFFFAOYSA-N 0 3 311.364 3.217 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(=C)Cl)C1 ZINC001120348641 1094411366 /nfs/dbraw/zinc/41/13/66/1094411366.db2.gz ZGPYMNYTALAXNT-CVEARBPZSA-N 0 3 310.869 3.408 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120380861 1094418682 /nfs/dbraw/zinc/41/86/82/1094418682.db2.gz AJPCJNKHAIYEON-ZWKOTPCHSA-N 0 3 322.468 3.427 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120391608 1094420915 /nfs/dbraw/zinc/42/09/15/1094420915.db2.gz DBTKJFCOWFGZIB-CVEARBPZSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CC1(CC(=O)NCCNCc2cnc(C)s2)CCCCC1 ZINC001135187558 1094436062 /nfs/dbraw/zinc/43/60/62/1094436062.db2.gz XEJFHFKRBJVANI-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)C1(C)CCC1)NCc1ccccc1C#N ZINC001135208245 1094445727 /nfs/dbraw/zinc/44/57/27/1094445727.db2.gz QBWGWFUNRLVJPT-GJZGRUSLSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001135236603 1094454751 /nfs/dbraw/zinc/45/47/51/1094454751.db2.gz UTNYTVHVAHBVLS-CABCVRRESA-N 0 3 320.481 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001135236606 1094454839 /nfs/dbraw/zinc/45/48/39/1094454839.db2.gz UTNYTVHVAHBVLS-HUUCEWRRSA-N 0 3 320.481 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001135229442 1094459061 /nfs/dbraw/zinc/45/90/61/1094459061.db2.gz AKPUEHORZWFMRY-VXGBXAGGSA-N 0 3 323.506 3.345 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)CC)[C@H]2C1 ZINC001217737043 1094487366 /nfs/dbraw/zinc/48/73/66/1094487366.db2.gz OYWIXSCMUIIESQ-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001135357432 1094500827 /nfs/dbraw/zinc/50/08/27/1094500827.db2.gz CMZZJGNBBFRXOR-UONOGXRCSA-N 0 3 323.868 3.464 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135358478 1094502173 /nfs/dbraw/zinc/50/21/73/1094502173.db2.gz SNZBTEQNXHDQDO-CHWSQXEVSA-N 0 3 309.479 3.181 20 30 DGEDHN CC1(C)N[C@@H](CO[C@@H](C#C[Si](C)(C)C)c2ccccc2)CO1 ZINC001217834933 1094502241 /nfs/dbraw/zinc/50/22/41/1094502241.db2.gz UZUARELDKKUEEJ-IRXDYDNUSA-N 0 3 317.505 3.350 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2nccs2)CCC1 ZINC001135391618 1094512818 /nfs/dbraw/zinc/51/28/18/1094512818.db2.gz UKRXVJWPPSJPNL-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2conc2C)CCC1 ZINC001135394281 1094514301 /nfs/dbraw/zinc/51/43/01/1094514301.db2.gz FIBCMOUWKFTDHN-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2cc(C)no2)CCC1 ZINC001135390402 1094521949 /nfs/dbraw/zinc/52/19/49/1094521949.db2.gz JRJBEEXKMHLSIN-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2ncc(C)s2)C1 ZINC001135427264 1094534406 /nfs/dbraw/zinc/53/44/06/1094534406.db2.gz OSJDPRXWFITEQY-QWHCGFSZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135565362 1094579507 /nfs/dbraw/zinc/57/95/07/1094579507.db2.gz UGTMHULKBLAZIF-CHWSQXEVSA-N 0 3 321.465 3.267 20 30 DGEDHN F[C@@H]1CNCC[C@H]1Oc1ccccc1C=NNc1ccccc1 ZINC001218071862 1094587651 /nfs/dbraw/zinc/58/76/51/1094587651.db2.gz QHYDAMYNZVLEDO-SJLPKXTDSA-N 0 3 313.376 3.211 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001103416155 1094619771 /nfs/dbraw/zinc/61/97/71/1094619771.db2.gz YLKSOFDVEMIFCB-DTZQCDIJSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001121302323 1094654099 /nfs/dbraw/zinc/65/40/99/1094654099.db2.gz XXVXICBNSJMGIB-VZHDMLGISA-N 0 3 312.885 3.438 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001086764958 1094669847 /nfs/dbraw/zinc/66/98/47/1094669847.db2.gz PSHJSQWTZNYIOQ-ZOFXXKQRSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001086798099 1094695570 /nfs/dbraw/zinc/69/55/70/1094695570.db2.gz YPLMBYAELDQXJH-KLZNWCGWSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121611820 1094726057 /nfs/dbraw/zinc/72/60/57/1094726057.db2.gz ZYTFMDZKLFWGAI-MPDRENOPSA-N 0 3 310.869 3.214 20 30 DGEDHN C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@H]2CN[C@@H]2C)c1 ZINC001218385786 1094744441 /nfs/dbraw/zinc/74/44/41/1094744441.db2.gz LOEDRCNASRTBDA-KUHUBIRLSA-N 0 3 323.392 3.222 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1C ZINC001103831032 1094764477 /nfs/dbraw/zinc/76/44/77/1094764477.db2.gz IPKGSHDXJOKAPK-CZUORRHYSA-N 0 3 306.837 3.127 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001086807710 1094765382 /nfs/dbraw/zinc/76/53/82/1094765382.db2.gz PVAXBHFVRPWICR-ZJIFWQFVSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001086808925 1094768097 /nfs/dbraw/zinc/76/80/97/1094768097.db2.gz JVITXOJMRKWYSH-GBJTYRQASA-N 0 3 322.836 3.010 20 30 DGEDHN C#C[C@H](COc1cccc(Cl)c1)Oc1cccc2c1CNC2 ZINC001218438693 1094775665 /nfs/dbraw/zinc/77/56/65/1094775665.db2.gz NGTGAZFNARWAAD-OAHLLOKOSA-N 0 3 313.784 3.403 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC001121848191 1094793972 /nfs/dbraw/zinc/79/39/72/1094793972.db2.gz IDEYOTHUFOBUHY-HOTGVXAUSA-N 0 3 320.481 3.194 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(O[C@H]2CNCc3ccccc32)n1 ZINC001218485241 1094806072 /nfs/dbraw/zinc/80/60/72/1094806072.db2.gz FVTYWSDYFXURDE-INIZCTEOSA-N 0 3 307.397 3.474 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1C ZINC001103940204 1094810943 /nfs/dbraw/zinc/81/09/43/1094810943.db2.gz MZCPYESPPFAQBM-VJNRTPOASA-N 0 3 310.869 3.169 20 30 DGEDHN N#Cc1c(O[C@H]2CNCc3ccccc32)cnc2ccccc21 ZINC001218493135 1094820071 /nfs/dbraw/zinc/82/00/71/1094820071.db2.gz IJGQNTDDKDTOPB-SFHVURJKSA-N 0 3 301.349 3.330 20 30 DGEDHN CC1=CC(=O)c2c(O[C@@H]3CNCc4ccccc43)cccc2C1=O ZINC001218491916 1094821603 /nfs/dbraw/zinc/82/16/03/1094821603.db2.gz YJKHLWKVGQTIDN-GOSISDBHSA-N 0 3 319.360 3.235 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC001121955265 1094843457 /nfs/dbraw/zinc/84/34/57/1094843457.db2.gz LDLQWOXXTYBRCR-JKSUJKDBSA-N 0 3 308.372 3.312 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC001337086384 1094849113 /nfs/dbraw/zinc/84/91/13/1094849113.db2.gz DFLSTDCVBIKMSA-RDJZCZTQSA-N 0 3 324.827 3.219 20 30 DGEDHN Cc1cnc(C(=O)C(C#N)c2nc3ccccc3n2C)c(C)c1 ZINC001122007289 1094864075 /nfs/dbraw/zinc/86/40/75/1094864075.db2.gz CNQZMZGKRXIABC-ZDUSSCGKSA-N 0 3 304.353 3.075 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H](C)CCCCCC)[C@H]2C1 ZINC001218803104 1094868219 /nfs/dbraw/zinc/86/82/19/1094868219.db2.gz GBYNBDHKZXHPMY-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC001122070879 1094892207 /nfs/dbraw/zinc/89/22/07/1094892207.db2.gz GIJOMBHEYNGKIH-SJLPKXTDSA-N 0 3 310.482 3.093 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C ZINC001104170773 1094900526 /nfs/dbraw/zinc/90/05/26/1094900526.db2.gz AZYJOAKUPQLKAE-MLGOLLRUSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC001122111539 1094902682 /nfs/dbraw/zinc/90/26/82/1094902682.db2.gz AAFAUVCJUBMYKL-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)OCCNC2 ZINC001122135394 1094907819 /nfs/dbraw/zinc/90/78/19/1094907819.db2.gz BLRXPXAHRMSVRB-PBHICJAKSA-N 0 3 314.429 3.033 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC001218931869 1094907901 /nfs/dbraw/zinc/90/79/01/1094907901.db2.gz LAWRGYSPSUNERW-HNNXBMFYSA-N 0 3 300.406 3.274 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc2[nH]nc(C)c2c(F)c1 ZINC001218933552 1094908136 /nfs/dbraw/zinc/90/81/36/1094908136.db2.gz ZZIKNXMZKRBOOC-AWEZNQCLSA-N 0 3 318.396 3.413 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC/C=C/c2ccccc2)C1 ZINC001111870912 1094994531 /nfs/dbraw/zinc/99/45/31/1094994531.db2.gz RVOKPSDNFMLUMN-CIZRVWCESA-N 0 3 322.452 3.084 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCCC1(C)C ZINC001122513662 1094995864 /nfs/dbraw/zinc/99/58/64/1094995864.db2.gz IVYHAGOPUHOJIN-OAHLLOKOSA-N 0 3 317.481 3.042 20 30 DGEDHN CCc1c(C(=O)C(C#N)c2nccn2C)cnn1C(CC)CC ZINC001122519483 1094996866 /nfs/dbraw/zinc/99/68/66/1094996866.db2.gz XSHHDKFGDYRTIE-CYBMUJFWSA-N 0 3 313.405 3.030 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC2CCCCC2)C1 ZINC001111968402 1095018432 /nfs/dbraw/zinc/01/84/32/1095018432.db2.gz IJUHNYWPNJZIDH-ICSRJNTNSA-N 0 3 316.489 3.341 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@@H](C)CCC ZINC001122631310 1095022256 /nfs/dbraw/zinc/02/22/56/1095022256.db2.gz PVRNBIJKKJWQPA-HOTGVXAUSA-N 0 3 319.497 3.288 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001206094229 1095036659 /nfs/dbraw/zinc/03/66/59/1095036659.db2.gz BKRBPUIISGGEID-UHFFFAOYSA-N 0 3 309.291 3.263 20 30 DGEDHN CC(C)(S)CNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220487049 1095104603 /nfs/dbraw/zinc/10/46/03/1095104603.db2.gz JWBHCSRKFQMFEY-LLVKDONJSA-N 0 3 321.273 3.208 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H](N)CC1CCCC1 ZINC001220663662 1095134971 /nfs/dbraw/zinc/13/49/71/1095134971.db2.gz KDGNWTWDWIANCR-YOEHRIQHSA-N 0 3 316.445 3.336 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220837069 1095162257 /nfs/dbraw/zinc/16/22/57/1095162257.db2.gz RVWUUCBJAQKFEB-MSOLQXFVSA-N 0 3 324.509 3.089 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1nccn1CC ZINC001171035163 1095169266 /nfs/dbraw/zinc/16/92/66/1095169266.db2.gz GMYOOHXLYDLWJZ-INIZCTEOSA-N 0 3 320.481 3.024 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001123336806 1095246916 /nfs/dbraw/zinc/24/69/16/1095246916.db2.gz LBOORFHKOJTZJI-XIRDDKMYSA-N 0 3 323.396 3.282 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCC(=C)Cl)CCCCC1 ZINC001115490662 1095249253 /nfs/dbraw/zinc/24/92/53/1095249253.db2.gz DVABDLLGLGKKEY-UHFFFAOYSA-N 0 3 310.869 3.341 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221582259 1095307527 /nfs/dbraw/zinc/30/75/27/1095307527.db2.gz MSHGPKUEFYOJRG-QZTJIDSGSA-N 0 3 302.462 3.376 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581406 1095307978 /nfs/dbraw/zinc/30/79/78/1095307978.db2.gz WZDPVZOOVCFSNE-KRWDZBQOSA-N 0 3 315.461 3.396 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001221748180 1095342458 /nfs/dbraw/zinc/34/24/58/1095342458.db2.gz PNCRYXHXXVCFEN-WOJBJXKFSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)CCCCCC)[C@@H]2C1 ZINC001221883900 1095381713 /nfs/dbraw/zinc/38/17/13/1095381713.db2.gz ZHSSJYPJBJQRNW-RCCFBDPRSA-N 0 3 304.478 3.149 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3nocc3C)[C@@H]2C1 ZINC001221919238 1095387800 /nfs/dbraw/zinc/38/78/00/1095387800.db2.gz FQIYJXNBWURMGQ-HZPDHXFCSA-N 0 3 319.449 3.100 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21)c1ccccc1 ZINC001222037188 1095413497 /nfs/dbraw/zinc/41/34/97/1095413497.db2.gz VKXWNCGWGHGCAE-HSALFYBXSA-N 0 3 324.468 3.455 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)C1CCCCC1 ZINC001338953926 1095448999 /nfs/dbraw/zinc/44/89/99/1095448999.db2.gz CUJSYRAACXWYED-OAHLLOKOSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCC[C@H](C(=O)N1C[C@H]2CCN(CC)C[C@H]21)c1ccccc1 ZINC001222141793 1095453623 /nfs/dbraw/zinc/45/36/23/1095453623.db2.gz CGUJNPMTBNISOH-CEXWTWQISA-N 0 3 312.457 3.289 20 30 DGEDHN COc1cc(CNCc2cccc(OCC#N)c2)ccc1F ZINC001116376127 1095531840 /nfs/dbraw/zinc/53/18/40/1095531840.db2.gz SFPULDXCTBPUGL-UHFFFAOYSA-N 0 3 300.333 3.026 20 30 DGEDHN C=CCCCCN(C)Cc1cc(I)c[nH]1 ZINC001144401355 1095641359 /nfs/dbraw/zinc/64/13/59/1095641359.db2.gz CHRPFPKXZLBEIP-UHFFFAOYSA-N 0 3 318.202 3.407 20 30 DGEDHN C=CCCC(=O)NCC1CCN(Cc2sc(C)nc2C)CC1 ZINC001222579997 1095676548 /nfs/dbraw/zinc/67/65/48/1095676548.db2.gz ZGZIINBUKUDCGF-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCC(=O)Cc1ccc(F)cc1 ZINC001171195852 1095694689 /nfs/dbraw/zinc/69/46/89/1095694689.db2.gz VCXKSGNSAZLMCO-AWEZNQCLSA-N 0 3 310.372 3.030 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)OCCCCCC)C[C@@H]21 ZINC001222679298 1095720065 /nfs/dbraw/zinc/72/00/65/1095720065.db2.gz BATAOCVNGYXBJY-KURKYZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C#Cc1ccc(CN(Cc2cccnc2)C2CCOCC2)cc1 ZINC001144574006 1095722726 /nfs/dbraw/zinc/72/27/26/1095722726.db2.gz XWNKSGITWXDAKU-UHFFFAOYSA-N 0 3 306.409 3.244 20 30 DGEDHN Cc1cccc(C)c1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001137851769 1095764153 /nfs/dbraw/zinc/76/41/53/1095764153.db2.gz VFWOPRKPMFPJDM-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2ccc(C#N)cc2C1 ZINC001171208830 1095768063 /nfs/dbraw/zinc/76/80/63/1095768063.db2.gz FOKTWEHWXMSTLC-HNNXBMFYSA-N 0 3 301.393 3.419 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)ccc(Cl)c3F)CCC2S1 ZINC001137878070 1095777442 /nfs/dbraw/zinc/77/74/42/1095777442.db2.gz IVPAIVFPQBZKKP-GFCCVEGCSA-N 0 3 315.772 3.392 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC001339918989 1095779376 /nfs/dbraw/zinc/77/93/76/1095779376.db2.gz DNRFEJWDPSGHOZ-MRXNPFEDSA-N 0 3 319.449 3.110 20 30 DGEDHN C=CCCCCCCCCC(=O)N1CCOC[C@@H]1CN(C)C ZINC001144797737 1095824123 /nfs/dbraw/zinc/82/41/23/1095824123.db2.gz KXZDXXBHDDXYEM-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC001340034112 1095827184 /nfs/dbraw/zinc/82/71/84/1095827184.db2.gz RQUMAHXMACIPPL-AWEZNQCLSA-N 0 3 318.808 3.148 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC2(C1)CCOCC2 ZINC001340121756 1095870980 /nfs/dbraw/zinc/87/09/80/1095870980.db2.gz MWLZALMCRAJJOJ-MRXNPFEDSA-N 0 3 310.482 3.093 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCC[C@H](C)CCC)CC1 ZINC001223319836 1095934401 /nfs/dbraw/zinc/93/44/01/1095934401.db2.gz DSUSXNQQYJKPEB-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223362346 1095952057 /nfs/dbraw/zinc/95/20/57/1095952057.db2.gz MTYNGAVKIADRAF-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001276893256 1095980751 /nfs/dbraw/zinc/98/07/51/1095980751.db2.gz XTTBMWXGBDTPGM-WBVHZDCISA-N 0 3 315.461 3.166 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC001118322322 1095982640 /nfs/dbraw/zinc/98/26/40/1095982640.db2.gz AHXMZOURLRFWCA-TWMKSMIVSA-N 0 3 307.482 3.222 20 30 DGEDHN CC[C@H](CC#N)N1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001246807849 1095995074 /nfs/dbraw/zinc/99/50/74/1095995074.db2.gz UBCFGMQMKLLMTC-HUUCEWRRSA-N 0 3 322.250 3.088 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC001276901485 1096005386 /nfs/dbraw/zinc/00/53/86/1096005386.db2.gz UPBVXESBIYITJS-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](CCC)C(C)C)C[C@@H]21 ZINC001223613240 1096015365 /nfs/dbraw/zinc/01/53/65/1096015365.db2.gz DWTZZVYJYAUYJK-KURKYZTESA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC1(c2c(F)cccc2F)CCC1 ZINC001340735066 1096019870 /nfs/dbraw/zinc/01/98/70/1096019870.db2.gz KHPSLCNVCROTSI-AWEZNQCLSA-N 0 3 308.372 3.144 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCCCC(C)C)C[C@@H]21 ZINC001223705490 1096040956 /nfs/dbraw/zinc/04/09/56/1096040956.db2.gz FHAATLFBPUXFFA-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1c(Cl)oc2ccccc21 ZINC001340828042 1096044937 /nfs/dbraw/zinc/04/49/37/1096044937.db2.gz WWYFUEOJMOAYRO-CYBMUJFWSA-N 0 3 306.793 3.386 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1c(Cl)oc2ccccc21 ZINC001340828043 1096045368 /nfs/dbraw/zinc/04/53/68/1096045368.db2.gz WWYFUEOJMOAYRO-ZDUSSCGKSA-N 0 3 306.793 3.386 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001276916448 1096051780 /nfs/dbraw/zinc/05/17/80/1096051780.db2.gz PDDGRGBJKPTGKV-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001341193879 1096131310 /nfs/dbraw/zinc/13/13/10/1096131310.db2.gz WOHCXPFKKJYPPI-ASDDNKKMSA-N 0 3 311.429 3.102 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001276949378 1096142607 /nfs/dbraw/zinc/14/26/07/1096142607.db2.gz MHTXEYWLKKLEJB-SFHVURJKSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CNCC2 ZINC001341336676 1096156720 /nfs/dbraw/zinc/15/67/20/1096156720.db2.gz HTMNPQJXPNPTGX-OCCSQVGLSA-N 0 3 304.459 3.259 20 30 DGEDHN C=CCCC1(C(=O)NCC2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001224394223 1096201694 /nfs/dbraw/zinc/20/16/94/1096201694.db2.gz ZOSNNGPXMOMRBX-INIZCTEOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1CCN1CCC1CC1)c1ccccc1 ZINC001276976246 1096226803 /nfs/dbraw/zinc/22/68/03/1096226803.db2.gz AACNBSKENFFLRL-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CC2CCCCCC2)CC1 ZINC001224683113 1096262977 /nfs/dbraw/zinc/26/29/77/1096262977.db2.gz SJAHBCYEQQCCRM-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001224739766 1096276298 /nfs/dbraw/zinc/27/62/98/1096276298.db2.gz PXKQYSTZGNVHIJ-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CCC)CC2CCCC2)CC1 ZINC001224739219 1096276352 /nfs/dbraw/zinc/27/63/52/1096276352.db2.gz KKDZNEBMMUYASW-LJQANCHMSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001224816114 1096290903 /nfs/dbraw/zinc/29/09/03/1096290903.db2.gz VMQOJSYMOZOYSS-DJIMGWMZSA-N 0 3 316.445 3.378 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001224871946 1096304806 /nfs/dbraw/zinc/30/48/06/1096304806.db2.gz DJJDBNGYBDYVTK-SJLPKXTDSA-N 0 3 318.505 3.300 20 30 DGEDHN CN(C(=O)/C=C\C(C)(C)C)C1CC(NCC#Cc2ccccc2)C1 ZINC001279208730 1096332858 /nfs/dbraw/zinc/33/28/58/1096332858.db2.gz HUOIAKPGJVSMCE-SEYXRHQNSA-N 0 3 324.468 3.219 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001148343266 1096352301 /nfs/dbraw/zinc/35/23/01/1096352301.db2.gz SCBHVYYICLYZEQ-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001225149377 1096353417 /nfs/dbraw/zinc/35/34/17/1096353417.db2.gz MFMGWXKFHYTVCL-KRWDZBQOSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC001225163222 1096357472 /nfs/dbraw/zinc/35/74/72/1096357472.db2.gz VOTACMDFWOYMSO-GOSISDBHSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)CCCCC)C2)C1 ZINC001148391672 1096358258 /nfs/dbraw/zinc/35/82/58/1096358258.db2.gz VAVKNQJVWVNGSQ-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC001225341357 1096401243 /nfs/dbraw/zinc/40/12/43/1096401243.db2.gz MPKDDMZIOYLQSH-LJQANCHMSA-N 0 3 312.457 3.032 20 30 DGEDHN CCCCCCCCC(=O)NCCNCc1cnccc1C ZINC001148728196 1096431042 /nfs/dbraw/zinc/43/10/42/1096431042.db2.gz ZSWXYDKGEPVVRZ-UHFFFAOYSA-N 0 3 305.466 3.346 20 30 DGEDHN CCCCCCCCC(=O)NCCNCc1scnc1C ZINC001148727739 1096431249 /nfs/dbraw/zinc/43/12/49/1096431249.db2.gz IXHOQSLITDKJMD-UHFFFAOYSA-N 0 3 311.495 3.408 20 30 DGEDHN COc1ccnc(OC(C(=O)c2ccco2)c2ccco2)c1C#N ZINC001225565890 1096468729 /nfs/dbraw/zinc/46/87/29/1096468729.db2.gz INHOKPPQUNDPQE-INIZCTEOSA-N 0 3 324.292 3.151 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001225638848 1096491098 /nfs/dbraw/zinc/49/10/98/1096491098.db2.gz KIQUTKAITIYNTR-FUHWJXTLSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3sccc3C)C2)CC1 ZINC001086894365 1096493693 /nfs/dbraw/zinc/49/36/93/1096493693.db2.gz KRFLNGLFNQOMAN-OAHLLOKOSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cccc(C)c3)C2)CC1 ZINC001086899311 1096497858 /nfs/dbraw/zinc/49/78/58/1096497858.db2.gz GSYAHBPTNCIOFY-SFHVURJKSA-N 0 3 324.468 3.335 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3C=CCC3)C2)CC1 ZINC001086902020 1096499966 /nfs/dbraw/zinc/49/99/66/1096499966.db2.gz UWYWRWMNBWTHPI-MSOLQXFVSA-N 0 3 314.473 3.069 20 30 DGEDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1cccnc1C#N ZINC001225670794 1096500767 /nfs/dbraw/zinc/50/07/67/1096500767.db2.gz NTELITAXAFTSHN-KXBFYZLASA-N 0 3 307.397 3.243 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)/C=C(/C)C3CC3)C2)CC1 ZINC001086905696 1096503546 /nfs/dbraw/zinc/50/35/46/1096503546.db2.gz FSTABECUKDBKIN-NOCRFKNCSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC001086913178 1096506104 /nfs/dbraw/zinc/50/61/04/1096506104.db2.gz JPEDMKZBGWFBDL-OAHLLOKOSA-N 0 3 316.489 3.005 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3=CCCCCC3)C2)CC1 ZINC001086919487 1096509437 /nfs/dbraw/zinc/50/94/37/1096509437.db2.gz PUNQBQXBYVBVFN-QGZVFWFLSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3csc(C)c3)C2)CC1 ZINC001086947994 1096518405 /nfs/dbraw/zinc/51/84/05/1096518405.db2.gz NKFQTOZFENADRL-CQSZACIVSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001086946576 1096518549 /nfs/dbraw/zinc/51/85/49/1096518549.db2.gz CRHDDNDMPKKDMS-DLBZAZTESA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC001086954404 1096522276 /nfs/dbraw/zinc/52/22/76/1096522276.db2.gz KNWIIQWSNZABQI-SFHVURJKSA-N 0 3 324.468 3.253 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001226481952 1096699965 /nfs/dbraw/zinc/69/99/65/1096699965.db2.gz SUHAWSZHHPFHFK-HUUCEWRRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001227090092 1096864919 /nfs/dbraw/zinc/86/49/19/1096864919.db2.gz DGLLGFPXPOUZOY-MGPQQGTHSA-N 0 3 300.874 3.438 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227285222 1096911864 /nfs/dbraw/zinc/91/18/64/1096911864.db2.gz NSVAUJUEJFOBFL-INIZCTEOSA-N 0 3 323.352 3.120 20 30 DGEDHN Cc1cc(O[C@H]2CCCN(Cc3ccccc3)C2)cnc1C#N ZINC001227346667 1096918787 /nfs/dbraw/zinc/91/87/87/1096918787.db2.gz MDGKDSWNAJXQEG-KRWDZBQOSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001171569108 1096925950 /nfs/dbraw/zinc/92/59/50/1096925950.db2.gz URDGDITXLMZYAJ-UHFFFAOYSA-N 0 3 308.853 3.121 20 30 DGEDHN C=CCC(CC=C)C(=O)NC1CCN(CCOCCCC)CC1 ZINC001227519825 1096943572 /nfs/dbraw/zinc/94/35/72/1096943572.db2.gz AOJKNCXDLOBAJI-UHFFFAOYSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCC[C@@H](C)CCC)CC1 ZINC001227546867 1096948265 /nfs/dbraw/zinc/94/82/65/1096948265.db2.gz PJJKSJUSIOOYMK-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN CCCCCCCCN1CC2(C[C@H]2C(=O)N2CCCCO2)C1 ZINC001277232096 1096970646 /nfs/dbraw/zinc/97/06/46/1096970646.db2.gz UQKQBAWVLRPEAG-INIZCTEOSA-N 0 3 308.466 3.223 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001227765914 1096985099 /nfs/dbraw/zinc/98/50/99/1096985099.db2.gz NVUPKSQSIGLZER-MRXNPFEDSA-N 0 3 317.477 3.408 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001228111472 1097052525 /nfs/dbraw/zinc/05/25/25/1097052525.db2.gz BLZNHCRXQVMBTE-IAOVAPTHSA-N 0 3 319.449 3.102 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccnc(OC2CCC2)n1 ZINC001172300415 1097094170 /nfs/dbraw/zinc/09/41/70/1097094170.db2.gz WFVWESURCABLGK-AWEZNQCLSA-N 0 3 322.412 3.000 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2ccccc2)CC1 ZINC001172308342 1097096264 /nfs/dbraw/zinc/09/62/64/1097096264.db2.gz JVWHYKXCWJAIAV-QGZVFWFLSA-N 0 3 305.425 3.311 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@@H](CC)CCCC)CC1 ZINC001228360501 1097106656 /nfs/dbraw/zinc/10/66/56/1097106656.db2.gz IMCLOQUADIGJCU-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@H](CC)CCCC)CC1 ZINC001228360503 1097106717 /nfs/dbraw/zinc/10/67/17/1097106717.db2.gz IMCLOQUADIGJCU-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)n1nc(-c2ccncc2)cc1CN ZINC001172296306 1097109095 /nfs/dbraw/zinc/10/90/95/1097109095.db2.gz HFFYKVXGJWBZSK-AWEZNQCLSA-N 0 3 317.396 3.079 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228414043 1097116748 /nfs/dbraw/zinc/11/67/48/1097116748.db2.gz XJAGZCDXIWHUCM-BFYDXBDKSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(C)ccc1F ZINC001277305316 1097131236 /nfs/dbraw/zinc/13/12/36/1097131236.db2.gz IUANCWYURJURLC-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN C[C@@H](CCCC#N)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001172497193 1097171087 /nfs/dbraw/zinc/17/10/87/1097171087.db2.gz ZTZCSVFTGCKUSH-AWEZNQCLSA-N 0 3 312.417 3.461 20 30 DGEDHN COCCN1CCC(Oc2ccc(C#N)cc2C(C)(C)C)CC1 ZINC001228994543 1097233656 /nfs/dbraw/zinc/23/36/56/1097233656.db2.gz CVMNBKDXIFAJMC-UHFFFAOYSA-N 0 3 316.445 3.345 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1nc(C)c(C)s1 ZINC001277364125 1097275772 /nfs/dbraw/zinc/27/57/72/1097275772.db2.gz ZSZRPZDPPXYMGB-JTQLQIEISA-N 0 3 315.870 3.001 20 30 DGEDHN CN1CC[C@@H](Oc2nc(-c3ccc(Cl)cc3)ccc2C#N)C1 ZINC001229287867 1097290360 /nfs/dbraw/zinc/29/03/60/1097290360.db2.gz WOUGJDSGRZHRFP-OAHLLOKOSA-N 0 3 313.788 3.357 20 30 DGEDHN COC(=O)c1cccc2c1CN(C1CCC(CC#N)CC1)CC2 ZINC001173337021 1097421644 /nfs/dbraw/zinc/42/16/44/1097421644.db2.gz WAGAXPWXVBCIGT-UHFFFAOYSA-N 0 3 312.413 3.304 20 30 DGEDHN C=CCOC1CCC(NCC(=O)c2ccc(F)cc2F)CC1 ZINC001173315971 1097427597 /nfs/dbraw/zinc/42/75/97/1097427597.db2.gz ULFWJUKJBYNFNJ-UHFFFAOYSA-N 0 3 309.356 3.251 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CN(C1CCC(C)(C#N)CC1)C2 ZINC001173592792 1097466560 /nfs/dbraw/zinc/46/65/60/1097466560.db2.gz BCUPDMIWMBSRRF-UHFFFAOYSA-N 0 3 319.449 3.012 20 30 DGEDHN CC[C@H](CC#N)NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173676841 1097487862 /nfs/dbraw/zinc/48/78/62/1097487862.db2.gz FXMPRQIRSRJURS-MGPQQGTHSA-N 0 3 309.454 3.445 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N[C@@H](C)c1ccccc1F ZINC001491556047 1097491684 /nfs/dbraw/zinc/49/16/84/1097491684.db2.gz UXHNTSLIDPLKPI-GJZGRUSLSA-N 0 3 304.409 3.175 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H]2CCCN2CC(=C)Cl)CC1 ZINC001230532850 1097506028 /nfs/dbraw/zinc/50/60/28/1097506028.db2.gz CSQXSUMYLVSSEW-INIZCTEOSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(C)CN(CCCNC(=O)c1ccccc1)Cc1cccnc1 ZINC001230653100 1097546583 /nfs/dbraw/zinc/54/65/83/1097546583.db2.gz PTIBROWDMRNAMJ-UHFFFAOYSA-N 0 3 323.440 3.280 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230769320 1097578656 /nfs/dbraw/zinc/57/86/56/1097578656.db2.gz KMSRWSIEDDVNBJ-UHFFFAOYSA-N 0 3 323.868 3.189 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230824308 1097598887 /nfs/dbraw/zinc/59/88/87/1097598887.db2.gz WVIAEYPTNBYLGP-MRXNPFEDSA-N 0 3 312.523 3.407 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCCO1 ZINC001230824321 1097599047 /nfs/dbraw/zinc/59/90/47/1097599047.db2.gz XEFKTPVVZSWVJZ-ROUUACIJSA-N 0 3 324.509 3.449 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001277473887 1097630372 /nfs/dbraw/zinc/63/03/72/1097630372.db2.gz LSDDSNVUZLDTSP-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncoc1C ZINC001230958110 1097631833 /nfs/dbraw/zinc/63/18/33/1097631833.db2.gz LWIYWCYSCNWBLQ-OAHLLOKOSA-N 0 3 307.438 3.100 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001231027243 1097649422 /nfs/dbraw/zinc/64/94/22/1097649422.db2.gz XLKFFRYJFHXRDU-DLBZAZTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1CC ZINC001231122650 1097673994 /nfs/dbraw/zinc/67/39/94/1097673994.db2.gz MJAKHLVKSALLMT-GOSISDBHSA-N 0 3 300.446 3.248 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC1CCOCC1 ZINC001231388244 1097736076 /nfs/dbraw/zinc/73/60/76/1097736076.db2.gz NNPNMTQCILAGAL-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN O[C@H]1CCN(Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1F ZINC001231577152 1097783407 /nfs/dbraw/zinc/78/34/07/1097783407.db2.gz POZZFTWSYHSOMX-SFTDATJTSA-N 0 3 323.411 3.381 20 30 DGEDHN C=CCOc1cccc(CN(CCOCC)CCOCC)c1 ZINC001231625595 1097795954 /nfs/dbraw/zinc/79/59/54/1097795954.db2.gz WQSNOCPSMICHST-UHFFFAOYSA-N 0 3 307.434 3.126 20 30 DGEDHN C#Cc1cccc(CN2CCC(O)(Cc3ccccc3)CC2)c1 ZINC001231655942 1097804007 /nfs/dbraw/zinc/80/40/07/1097804007.db2.gz HARIHLXWJQFOAT-UHFFFAOYSA-N 0 3 305.421 3.238 20 30 DGEDHN C#Cc1cccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001231659877 1097806162 /nfs/dbraw/zinc/80/61/62/1097806162.db2.gz VOWUCJBBBUQBPI-KRWDZBQOSA-N 0 3 314.429 3.109 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001174798770 1097856241 /nfs/dbraw/zinc/85/62/41/1097856241.db2.gz OLMRBIBVIGZHNW-HNNXBMFYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001174849884 1097867565 /nfs/dbraw/zinc/86/75/65/1097867565.db2.gz RCAOYIQXXRDIAA-CABCVRRESA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C)nc1C)C2 ZINC001232083889 1097934090 /nfs/dbraw/zinc/93/40/90/1097934090.db2.gz KHOMMBMTXGOIAM-RTBURBONSA-N 0 3 316.445 3.025 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001175083115 1097942181 /nfs/dbraw/zinc/94/21/81/1097942181.db2.gz VLMWXWZTIAESLO-KDOFPFPSSA-N 0 3 321.465 3.350 20 30 DGEDHN CC/C=C(/C)C(=O)N(C)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001277621641 1097953647 /nfs/dbraw/zinc/95/36/47/1097953647.db2.gz DIPXXQJYNGNIMH-MESSXYGASA-N 0 3 324.468 3.221 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001175531842 1098085166 /nfs/dbraw/zinc/08/51/66/1098085166.db2.gz LHRFGZRLYUCKQT-UHFFFAOYSA-N 0 3 313.332 3.280 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(CC)c(C)s1 ZINC001175600501 1098094006 /nfs/dbraw/zinc/09/40/06/1098094006.db2.gz VIVCLPCOYFMIKE-UHFFFAOYSA-N 0 3 300.855 3.081 20 30 DGEDHN Cn1c(=O)c(CN2CCC(S)CC2)c(Cl)c2ccccc21 ZINC001232644033 1098105979 /nfs/dbraw/zinc/10/59/79/1098105979.db2.gz UBORWIVMRVREGE-UHFFFAOYSA-N 0 3 322.861 3.086 20 30 DGEDHN N#CC1(c2ccccc2)CCN(Cc2ccc(CCO)cc2)CC1 ZINC001232773961 1098131067 /nfs/dbraw/zinc/13/10/67/1098131067.db2.gz IYXWHXKWFJCHOJ-UHFFFAOYSA-N 0 3 320.436 3.279 20 30 DGEDHN C#CCCCCCCN1CCN(CCCOC(C)(C)C)CC1 ZINC001175732249 1098148629 /nfs/dbraw/zinc/14/86/29/1098148629.db2.gz BZKRDNCLIOTYGT-UHFFFAOYSA-N 0 3 308.510 3.393 20 30 DGEDHN C=CCCCN1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001175862133 1098194360 /nfs/dbraw/zinc/19/43/60/1098194360.db2.gz URVCHDWEBJOZDX-MAUKXSAKSA-N 0 3 324.465 3.053 20 30 DGEDHN C=CCCCN1CC[C@@H]2C[C@@]21C(=O)NCc1c(F)cccc1F ZINC001277758351 1098220514 /nfs/dbraw/zinc/22/05/14/1098220514.db2.gz JDLCYUHGUKYYPC-ACJLOTCBSA-N 0 3 320.383 3.012 20 30 DGEDHN Cc1cccc(O[C@@H]2CCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC001233083456 1098222476 /nfs/dbraw/zinc/22/24/76/1098222476.db2.gz LOOAZOAMGMXMOS-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cc(C)ns1)C2 ZINC001233310607 1098282772 /nfs/dbraw/zinc/28/27/72/1098282772.db2.gz NZGXYSYIZNZYFZ-SJORKVTESA-N 0 3 322.474 3.025 20 30 DGEDHN N#CC=C([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001233518236 1098360567 /nfs/dbraw/zinc/36/05/67/1098360567.db2.gz MPLDRVNSQAWAFV-LJQANCHMSA-N 0 3 320.392 3.436 20 30 DGEDHN N#CC=C([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001233518236 1098360576 /nfs/dbraw/zinc/36/05/76/1098360576.db2.gz MPLDRVNSQAWAFV-LJQANCHMSA-N 0 3 320.392 3.436 20 30 DGEDHN Cc1cc([C@@H]2CCCCN2CCCC2(C#N)CCOCC2)[nH]n1 ZINC001176485434 1098364218 /nfs/dbraw/zinc/36/42/18/1098364218.db2.gz NLPNNMHSKIROEX-KRWDZBQOSA-N 0 3 316.449 3.346 20 30 DGEDHN Cc1cc([C@@H]2CCCCN2CCCC2(C#N)CCOCC2)n[nH]1 ZINC001176485434 1098364223 /nfs/dbraw/zinc/36/42/23/1098364223.db2.gz NLPNNMHSKIROEX-KRWDZBQOSA-N 0 3 316.449 3.346 20 30 DGEDHN CCC(C)(CC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001176530650 1098378288 /nfs/dbraw/zinc/37/82/88/1098378288.db2.gz MVYAADJUKKISJQ-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCc1ccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001233597106 1098385878 /nfs/dbraw/zinc/38/58/78/1098385878.db2.gz ICUPOOAFKFACBH-IZAXUBKRSA-N 0 3 301.430 3.437 20 30 DGEDHN N#CC1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233728691 1098417472 /nfs/dbraw/zinc/41/74/72/1098417472.db2.gz YTUGZUCPDJYTIQ-UHFFFAOYSA-N 0 3 300.280 3.026 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CO[C@H](C)CC ZINC001233731575 1098418483 /nfs/dbraw/zinc/41/84/83/1098418483.db2.gz NRYNHCXXMMXPID-SJORKVTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@H](C)OC ZINC001233827252 1098438220 /nfs/dbraw/zinc/43/82/20/1098438220.db2.gz HEEKIOINZQCGAK-DLBZAZTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2cccc(C)c2o1 ZINC001177053741 1098468755 /nfs/dbraw/zinc/46/87/55/1098468755.db2.gz MJMZPAPRTFXXAO-UHFFFAOYSA-N 0 3 306.793 3.203 20 30 DGEDHN COc1cc(CN2CCC[C@H](CC#N)C2)ccc1-n1ccnc1 ZINC001234066829 1098489145 /nfs/dbraw/zinc/48/91/45/1098489145.db2.gz QAKKCZFOOJDKBA-OAHLLOKOSA-N 0 3 310.401 3.007 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001177205263 1098489782 /nfs/dbraw/zinc/48/97/82/1098489782.db2.gz WXFLCFXVQMGLPM-CYBMUJFWSA-N 0 3 324.852 3.037 20 30 DGEDHN CC[C@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234131820 1098501203 /nfs/dbraw/zinc/50/12/03/1098501203.db2.gz SPXIEMGLWRDJCA-RBUKOAKNSA-N 0 3 312.457 3.330 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001277838990 1098513803 /nfs/dbraw/zinc/51/38/03/1098513803.db2.gz UFZDQKGIYMUIGC-QGZVFWFLSA-N 0 3 316.420 3.100 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC1(COC)CC1 ZINC001234233574 1098519818 /nfs/dbraw/zinc/51/98/18/1098519818.db2.gz CQUHBFQELRNLBX-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CCCC1 ZINC001110212430 1098567104 /nfs/dbraw/zinc/56/71/04/1098567104.db2.gz CRJSNFWNFMLGMN-IKGGRYGDSA-N 0 3 302.462 3.421 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCCCCOC ZINC001234518618 1098576969 /nfs/dbraw/zinc/57/69/69/1098576969.db2.gz XGLKQTAINSEXJI-SFHVURJKSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001234536633 1098586685 /nfs/dbraw/zinc/58/66/85/1098586685.db2.gz GAFMCXPEWKNSNM-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC[C@H](C)F ZINC001234554082 1098597532 /nfs/dbraw/zinc/59/75/32/1098597532.db2.gz DQBVLDLJTLFTPD-WCQYABFASA-N 0 3 304.837 3.046 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1nc(C)c(C)s1 ZINC001178007591 1098676719 /nfs/dbraw/zinc/67/67/19/1098676719.db2.gz HKUUVOSJUQCTPW-UHFFFAOYSA-N 0 3 323.506 3.492 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CC1CCCC1 ZINC001178046589 1098687044 /nfs/dbraw/zinc/68/70/44/1098687044.db2.gz NNDHCJZRNSGVIM-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001150752394 1098717009 /nfs/dbraw/zinc/71/70/09/1098717009.db2.gz MAXCEUJOGAXSGJ-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001150752392 1098717732 /nfs/dbraw/zinc/71/77/32/1098717732.db2.gz MAXCEUJOGAXSGJ-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(N2CCOCC2)c1 ZINC001235086028 1098791577 /nfs/dbraw/zinc/79/15/77/1098791577.db2.gz PQEHGDVOWRBGQT-UHFFFAOYSA-N 0 3 321.424 3.027 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001178312318 1098791955 /nfs/dbraw/zinc/79/19/55/1098791955.db2.gz WYJAHZACRVBABY-YOEHRIQHSA-N 0 3 304.409 3.179 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001178324292 1098796845 /nfs/dbraw/zinc/79/68/45/1098796845.db2.gz MQXVSNSKSLSKIS-LRDDRELGSA-N 0 3 308.372 3.010 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2cnccc2C)CC1 ZINC001277929755 1098911642 /nfs/dbraw/zinc/91/16/42/1098911642.db2.gz RFGMUIHPZHZCQV-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)C(=C)C)C12CCC2 ZINC001203259327 1099009395 /nfs/dbraw/zinc/00/93/95/1099009395.db2.gz WEKAHPSSHYGGIN-UONOGXRCSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1nc(C)cs1 ZINC001179234899 1099044637 /nfs/dbraw/zinc/04/46/37/1099044637.db2.gz AKVUGVRJHMNYFV-UHFFFAOYSA-N 0 3 323.506 3.430 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179306576 1099058341 /nfs/dbraw/zinc/05/83/41/1099058341.db2.gz IJCKTXCUTGQMEK-HUUCEWRRSA-N 0 3 321.465 3.207 20 30 DGEDHN Cc1cccc(O[C@@H]2CCCN(Cc3ccccc3CC#N)C2)n1 ZINC001235526797 1099074229 /nfs/dbraw/zinc/07/42/29/1099074229.db2.gz FYHXJYMMHITADA-LJQANCHMSA-N 0 3 321.424 3.500 20 30 DGEDHN CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235524276 1099076217 /nfs/dbraw/zinc/07/62/17/1099076217.db2.gz DJFRAFDSFUPZNE-HNNXBMFYSA-N 0 3 314.429 3.306 20 30 DGEDHN CCc1noc(C2CCN(Cc3ccccc3CC#N)CC2)n1 ZINC001235524929 1099076446 /nfs/dbraw/zinc/07/64/46/1099076446.db2.gz CVMPOZWZFKLOGB-UHFFFAOYSA-N 0 3 310.401 3.078 20 30 DGEDHN Cc1cnccc1O[C@@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235529368 1099078567 /nfs/dbraw/zinc/07/85/67/1099078567.db2.gz ZHHHYTPJJTYNDE-GOSISDBHSA-N 0 3 307.397 3.109 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001179365327 1099083451 /nfs/dbraw/zinc/08/34/51/1099083451.db2.gz XRBDQAJJPTVCEB-ULQDDVLXSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001235551549 1099087694 /nfs/dbraw/zinc/08/76/94/1099087694.db2.gz UVIVVSCSDFFOST-OLHLWXQYSA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179464210 1099107351 /nfs/dbraw/zinc/10/73/51/1099107351.db2.gz VTXUQFZUTDVPTC-RYUDHWBXSA-N 0 3 305.249 3.241 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179482290 1099112902 /nfs/dbraw/zinc/11/29/02/1099112902.db2.gz SBSOVNJRQBTVQU-GOSISDBHSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179692441 1099165696 /nfs/dbraw/zinc/16/56/96/1099165696.db2.gz IMZRPSPMOAVIMS-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCNC[C@H]2Cc2ccccc2)c1[O-] ZINC001235856434 1099217083 /nfs/dbraw/zinc/21/70/83/1099217083.db2.gz TZJFZILCHJEWOZ-HXUWFJFHSA-N 0 3 322.452 3.137 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCNC[C@H]2Cc2ccccc2)c1[O-] ZINC001235856434 1099217091 /nfs/dbraw/zinc/21/70/91/1099217091.db2.gz TZJFZILCHJEWOZ-HXUWFJFHSA-N 0 3 322.452 3.137 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN(C)C[C@@H]1COc2ccccc2O1 ZINC001180565902 1099457528 /nfs/dbraw/zinc/45/75/28/1099457528.db2.gz JMDZQQVQPBUDDM-QGZVFWFLSA-N 0 3 322.408 3.447 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN(C)C[C@H]1COc2ccccc2O1 ZINC001180565901 1099458115 /nfs/dbraw/zinc/45/81/15/1099458115.db2.gz JMDZQQVQPBUDDM-KRWDZBQOSA-N 0 3 322.408 3.447 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)NC(=O)CN(C)C1CCCC1 ZINC001180630995 1099478341 /nfs/dbraw/zinc/47/83/41/1099478341.db2.gz VHBFTTNGGGYGCJ-OAHLLOKOSA-N 0 3 316.445 3.303 20 30 DGEDHN Cc1cnc(-c2ccc(CN3CCCCC3)c(F)c2)c(C#N)n1 ZINC001236246015 1099499251 /nfs/dbraw/zinc/49/92/51/1099499251.db2.gz XTHOUFRWUGGABN-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(C)c(C)cc1Cl ZINC001273546613 1099584912 /nfs/dbraw/zinc/58/49/12/1099584912.db2.gz PSVBAVRTJRNMOU-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN Cc1nc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnc1C#N ZINC001236471076 1099631773 /nfs/dbraw/zinc/63/17/73/1099631773.db2.gz OKUPTINOJOJGQY-MSOLQXFVSA-N 0 3 316.408 3.477 20 30 DGEDHN N#Cc1ncc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001236472404 1099631837 /nfs/dbraw/zinc/63/18/37/1099631837.db2.gz WEVPTIPCDQOKMP-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001187993574 1099650939 /nfs/dbraw/zinc/65/09/39/1099650939.db2.gz BXIXRTVRNYBKEP-GZSJBKTLSA-N 0 3 318.848 3.289 20 30 DGEDHN CCCCCCCCS(=O)(=O)N1CC[C@@H](N(C)C(C)C)C1 ZINC001188008828 1099656934 /nfs/dbraw/zinc/65/69/34/1099656934.db2.gz TZNIHNPCJOSTMV-MRXNPFEDSA-N 0 3 318.527 3.091 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001188040657 1099660810 /nfs/dbraw/zinc/66/08/10/1099660810.db2.gz UVXGREACZVRSDS-BJNDTKKQSA-N 0 3 318.848 3.289 20 30 DGEDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(S)CC1 ZINC001237060508 1099952718 /nfs/dbraw/zinc/95/27/18/1099952718.db2.gz UWFHLECNNHQATK-UHFFFAOYSA-N 0 3 321.364 3.228 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC/C=C/c3ccccc3)[C@@H]2C1 ZINC001189126382 1099958687 /nfs/dbraw/zinc/95/86/87/1099958687.db2.gz GPZAIFWCTZCRTK-KKGKNSNXSA-N 0 3 310.441 3.199 20 30 DGEDHN Cc1cc(CN2CCC(C)(NC(=O)C#CC(C)C)CC2)cs1 ZINC001278051031 1099963757 /nfs/dbraw/zinc/96/37/57/1099963757.db2.gz DHTVLQWCRFCXGI-UHFFFAOYSA-N 0 3 318.486 3.187 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001189279982 1099998082 /nfs/dbraw/zinc/99/80/82/1099998082.db2.gz OQVMOLRINJMYSQ-QGZVFWFLSA-N 0 3 304.409 3.155 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001189323994 1100025267 /nfs/dbraw/zinc/02/52/67/1100025267.db2.gz DIJXQCAMGHJOBR-YTQUADARSA-N 0 3 312.457 3.289 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189462500 1100065189 /nfs/dbraw/zinc/06/51/89/1100065189.db2.gz WHLQOYFEPJGRHX-QAPCUYQASA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCCCCCN1C[C@@H]2CCN(C(=O)c3nccs3)[C@@H]2C1 ZINC001189515088 1100074652 /nfs/dbraw/zinc/07/46/52/1100074652.db2.gz WOWMDKAWRFCDPR-LSDHHAIUSA-N 0 3 319.474 3.036 20 30 DGEDHN N#Cc1cc(CN(Cc2ccccc2)C2CCOCC2)ccn1 ZINC001237470748 1100135887 /nfs/dbraw/zinc/13/58/87/1100135887.db2.gz VFNXHDQVVGFMHY-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001189910003 1100148364 /nfs/dbraw/zinc/14/83/64/1100148364.db2.gz KNYOIJLWDDOCQT-KRWDZBQOSA-N 0 3 318.848 3.176 20 30 DGEDHN CCCCCN1CCN(Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237526393 1100160363 /nfs/dbraw/zinc/16/03/63/1100160363.db2.gz OQZZBFQUUPRXNL-UHFFFAOYSA-N 0 3 307.388 3.144 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001190004403 1100185354 /nfs/dbraw/zinc/18/53/54/1100185354.db2.gz OLYODLOGFHHBJK-CRAIPNDOSA-N 0 3 316.420 3.079 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)C1 ZINC001190179173 1100218082 /nfs/dbraw/zinc/21/80/82/1100218082.db2.gz ZFHAQTVNGGWOOC-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN COC[C@@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(C#N)c1)C2 ZINC001237751586 1100239806 /nfs/dbraw/zinc/23/98/06/1100239806.db2.gz XNMNCSODNCDDLY-WBVHZDCISA-N 0 3 304.821 3.460 20 30 DGEDHN CC1(C)CCC(CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001190485890 1100275924 /nfs/dbraw/zinc/27/59/24/1100275924.db2.gz RJRBEYQQAVDXJB-UHFFFAOYSA-N 0 3 312.461 3.292 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001190559584 1100294656 /nfs/dbraw/zinc/29/46/56/1100294656.db2.gz ZATZIUSGNKPMPX-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001190559587 1100295258 /nfs/dbraw/zinc/29/52/58/1100295258.db2.gz ZATZIUSGNKPMPX-QAPCUYQASA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001190559588 1100295295 /nfs/dbraw/zinc/29/52/95/1100295295.db2.gz ZATZIUSGNKPMPX-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN C#CCN(C(=O)C[C@H](C=C)CC)C1CCN(CC=C(C)C)CC1 ZINC001278176844 1100327890 /nfs/dbraw/zinc/32/78/90/1100327890.db2.gz BJHBUONYVJFYJT-GOSISDBHSA-N 0 3 316.489 3.481 20 30 DGEDHN CCCCC[C@@H](CC)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001151889923 1100330228 /nfs/dbraw/zinc/33/02/28/1100330228.db2.gz ICYHGCGSHGMHTF-GOSISDBHSA-N 0 3 315.461 3.371 20 30 DGEDHN C#CCN(Cc1cccc2cncn21)[C@@H]1CCc2ccccc21 ZINC001238113379 1100363839 /nfs/dbraw/zinc/36/38/39/1100363839.db2.gz KBUWOLOFFOPEKK-HXUWFJFHSA-N 0 3 301.393 3.457 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)[C@@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001278194023 1100371696 /nfs/dbraw/zinc/37/16/96/1100371696.db2.gz FMJIYXWJWZJSBC-IRXDYDNUSA-N 0 3 304.478 3.171 20 30 DGEDHN C#Cc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001191117271 1100404356 /nfs/dbraw/zinc/40/43/56/1100404356.db2.gz ZAUDVFCLUCBSKX-HXUWFJFHSA-N 0 3 318.420 3.235 20 30 DGEDHN COc1cc(CN2CCC(Cc3ccncc3)CC2)ccc1C#N ZINC001238413264 1100435444 /nfs/dbraw/zinc/43/54/44/1100435444.db2.gz NVWLHTQLRCIORJ-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(C)ccc1Cl ZINC001191723988 1100502545 /nfs/dbraw/zinc/50/25/45/1100502545.db2.gz BCFPPFKGJVMIAX-ZDUSSCGKSA-N 0 3 307.825 3.420 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001191776954 1100510541 /nfs/dbraw/zinc/51/05/41/1100510541.db2.gz ANBOJFXNABTOTH-QZTJIDSGSA-N 0 3 322.493 3.009 20 30 DGEDHN CCCCOC(=O)[C@H]1CCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238773061 1100525741 /nfs/dbraw/zinc/52/57/41/1100525741.db2.gz UDDVOWKLQLPOKG-SFHVURJKSA-N 0 3 314.429 3.286 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(CCC)c1 ZINC001191997641 1100553285 /nfs/dbraw/zinc/55/32/85/1100553285.db2.gz PKPRMGYJHCYIQS-INIZCTEOSA-N 0 3 304.409 3.158 20 30 DGEDHN CCCCCCCCCCS(=O)(=O)N1CCNCC[C@H]1C ZINC001238935231 1100560155 /nfs/dbraw/zinc/56/01/55/1100560155.db2.gz GHTVJTXQGUXGHA-MRXNPFEDSA-N 0 3 318.527 3.141 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(OC)c2)C1 ZINC001192072867 1100565780 /nfs/dbraw/zinc/56/57/80/1100565780.db2.gz MEOBDEYAQWDQEW-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001192170420 1100580894 /nfs/dbraw/zinc/58/08/94/1100580894.db2.gz LKWKSIJCVJVRBI-HKUYNNGSSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001192323613 1100604317 /nfs/dbraw/zinc/60/43/17/1100604317.db2.gz CNUOFKZBEUOWIK-DOTOQJQBSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001278294834 1100643786 /nfs/dbraw/zinc/64/37/86/1100643786.db2.gz WSGZCACUPZGJCW-XJKSGUPXSA-N 0 3 317.458 3.055 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@]23CCN(CCCC)C3=O)cc1 ZINC001273671374 1100878752 /nfs/dbraw/zinc/87/87/52/1100878752.db2.gz DHTLDYMNAUTSIT-FQEVSTJZSA-N 0 3 310.441 3.035 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N(C)CC=C)C1 ZINC001194174252 1100881625 /nfs/dbraw/zinc/88/16/25/1100881625.db2.gz PNEYQKOYNXPFSP-RBUKOAKNSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001194335752 1100925501 /nfs/dbraw/zinc/92/55/01/1100925501.db2.gz BPNSHHCTXXTAJZ-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccccc3OCC#N)c2)CC1 ZINC001240297933 1100929865 /nfs/dbraw/zinc/92/98/65/1100929865.db2.gz AETPAKMSEDGCLJ-UHFFFAOYSA-N 0 3 321.424 3.003 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cc(F)cc(CC#N)c3)cc2)CC1 ZINC001240415416 1100985683 /nfs/dbraw/zinc/98/56/83/1100985683.db2.gz SHMOSPFGPLJEKG-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC001194732720 1100993139 /nfs/dbraw/zinc/99/31/39/1100993139.db2.gz KQKQSPYKLBGELS-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2ccccc2CC)CC1 ZINC001195192227 1101086952 /nfs/dbraw/zinc/08/69/52/1101086952.db2.gz VAVCNFLNEMSIFU-UHFFFAOYSA-N 0 3 300.446 3.250 20 30 DGEDHN C=CCCC(=O)N1CCCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC001195225995 1101102548 /nfs/dbraw/zinc/10/25/48/1101102548.db2.gz KLDZPPGXTKTBES-HNNXBMFYSA-N 0 3 314.420 3.312 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2coc(CC)n2)CC1 ZINC001195555696 1101153802 /nfs/dbraw/zinc/15/38/02/1101153802.db2.gz IPRIEWKJYURDGC-UHFFFAOYSA-N 0 3 319.449 3.131 20 30 DGEDHN C#CCCCCC(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001195562561 1101160679 /nfs/dbraw/zinc/16/06/79/1101160679.db2.gz JJUFIHCYPQXGFC-SFHVURJKSA-N 0 3 312.457 3.476 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2)c[nH]1 ZINC001195656597 1101177939 /nfs/dbraw/zinc/17/79/39/1101177939.db2.gz JCEUQZUKPIBHLO-KRWDZBQOSA-N 0 3 309.413 3.062 20 30 DGEDHN O=C(C#CC1CC1)N1CCCN(CC/C=C/c2ccccc2)CC1 ZINC001195753893 1101189506 /nfs/dbraw/zinc/18/95/06/1101189506.db2.gz DSBOZIOSEFMQNF-RUDMXATFSA-N 0 3 322.452 3.038 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2sc(C)cc2C)CC1 ZINC001195974286 1101226927 /nfs/dbraw/zinc/22/69/27/1101226927.db2.gz AQWBCHFVKUAULM-UHFFFAOYSA-N 0 3 306.475 3.479 20 30 DGEDHN C=C(C)CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196018400 1101237577 /nfs/dbraw/zinc/23/75/77/1101237577.db2.gz RXCGXWQCHGVTFX-UHFFFAOYSA-N 0 3 306.475 3.181 20 30 DGEDHN Cc1cc(F)ccc1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001196099836 1101250632 /nfs/dbraw/zinc/25/06/32/1101250632.db2.gz NTNSJGZGCOUFBH-ZDUSSCGKSA-N 0 3 322.430 3.105 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC001196438040 1101300334 /nfs/dbraw/zinc/30/03/34/1101300334.db2.gz LYZAKJPQSRQDRV-UHFFFAOYSA-N 0 3 306.475 3.425 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccn(CC)n2)CC1 ZINC001197338777 1101549383 /nfs/dbraw/zinc/54/93/83/1101549383.db2.gz GOOZZLQYJIAYKK-UHFFFAOYSA-N 0 3 320.481 3.021 20 30 DGEDHN C=CC1(CC(=O)N2CCCN(CCCOC)CC2)CCCCC1 ZINC001197418958 1101564484 /nfs/dbraw/zinc/56/44/84/1101564484.db2.gz YKXIYBGQDFVTSF-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001273745484 1101582136 /nfs/dbraw/zinc/58/21/36/1101582136.db2.gz XRQPGBWFUQJCGO-MJGOQNOKSA-N 0 3 314.473 3.278 20 30 DGEDHN C[C@@H]1Cc2n[nH]cc2CN(Cc2ccccc2C(C)(C)C#N)C1 ZINC001197786061 1101665682 /nfs/dbraw/zinc/66/56/82/1101665682.db2.gz MXFLVRVAKAALIF-CQSZACIVSA-N 0 3 308.429 3.405 20 30 DGEDHN CCN1CCN(c2ccc(-c3ncc(C#N)cc3C)cc2)CC1 ZINC001241738808 1101671030 /nfs/dbraw/zinc/67/10/30/1101671030.db2.gz RTKUVDHRJPRDGO-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2sccc2COC)CC1 ZINC001197809954 1101672288 /nfs/dbraw/zinc/67/22/88/1101672288.db2.gz OUXFNWAVYQAACL-UHFFFAOYSA-N 0 3 322.474 3.009 20 30 DGEDHN CCCCCCCCC(=O)N1CCCN(C[C@H](C)OC)CC1 ZINC001197928696 1101703563 /nfs/dbraw/zinc/70/35/63/1101703563.db2.gz NSSPZMUEGKVZFB-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC001198027011 1101741113 /nfs/dbraw/zinc/74/11/13/1101741113.db2.gz GKJDJDLHSCIHKP-UHFFFAOYSA-N 0 3 318.486 3.351 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C(C)(CC)CC ZINC001273758583 1101745849 /nfs/dbraw/zinc/74/58/49/1101745849.db2.gz DXGVUXHSSKMFMC-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CCCF)CC2)CCCCC1 ZINC001198213517 1101780182 /nfs/dbraw/zinc/78/01/82/1101780182.db2.gz CQLCVGYJYGQREF-UHFFFAOYSA-N 0 3 310.457 3.407 20 30 DGEDHN C=CCC1(C(=O)N2CCCN([C@@H](C)COC)CC2)CCCCC1 ZINC001198221039 1101781255 /nfs/dbraw/zinc/78/12/55/1101781255.db2.gz FDGMRFFMMZFLOC-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC001198316210 1101819115 /nfs/dbraw/zinc/81/91/15/1101819115.db2.gz WBLOXJMXBHNGOS-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C=CCCCCCN[C@H](CNC(C)=O)c1ccccc1OC ZINC001198454181 1101858615 /nfs/dbraw/zinc/85/86/15/1101858615.db2.gz NISWOHDDMSHGHE-QGZVFWFLSA-N 0 3 304.434 3.208 20 30 DGEDHN CCCCCCCN[C@@H](CNC(C)=O)c1ccccc1OC ZINC001198461751 1101866527 /nfs/dbraw/zinc/86/65/27/1101866527.db2.gz AQXJOYTYKLUQLK-KRWDZBQOSA-N 0 3 306.450 3.432 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CC(C)C)c1ccccc1OC ZINC001198499683 1101881500 /nfs/dbraw/zinc/88/15/00/1101881500.db2.gz PHNSIRZXKWOYLT-MRXNPFEDSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCC[C@@H](C)N[C@@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198544843 1101915102 /nfs/dbraw/zinc/91/51/02/1101915102.db2.gz VYDXUMKJFJWXDT-WBVHZDCISA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@@H](C)CCC)c1ccccc1OC ZINC001198615812 1101928930 /nfs/dbraw/zinc/92/89/30/1101928930.db2.gz BZXMFBZGZGMQLS-RDJZCZTQSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCC(C)C)c1ccccc1OC ZINC001198752465 1101977236 /nfs/dbraw/zinc/97/72/36/1101977236.db2.gz QCQDFOPKDSQOIB-QGZVFWFLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCC(C)C)c1ccccc1OC ZINC001198833479 1101988597 /nfs/dbraw/zinc/98/85/97/1101988597.db2.gz AFIMTINSJLDUQI-MRXNPFEDSA-N 0 3 318.461 3.310 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198855605 1102001607 /nfs/dbraw/zinc/00/16/07/1102001607.db2.gz DKTQHRGTZHOLGQ-GOEBONIOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1OC ZINC001198843380 1102013017 /nfs/dbraw/zinc/01/30/17/1102013017.db2.gz OZFFGEWDTWTVBU-BHYGNILZSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198885359 1102021788 /nfs/dbraw/zinc/02/17/88/1102021788.db2.gz FOJFRRFPUYXIAS-APWZRJJASA-N 0 3 318.461 3.454 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198885618 1102022637 /nfs/dbraw/zinc/02/26/37/1102022637.db2.gz MPOMSVZNILCMIJ-MAUKXSAKSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198885617 1102022814 /nfs/dbraw/zinc/02/28/14/1102022814.db2.gz MPOMSVZNILCMIJ-CRAIPNDOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198916391 1102027117 /nfs/dbraw/zinc/02/71/17/1102027117.db2.gz MVSAXDOQQHGEJG-OAHLLOKOSA-N 0 3 304.434 3.064 20 30 DGEDHN Cc1ccc(OCCNCc2cc(C#N)ccc2N(C)C)cc1 ZINC001199094062 1102065080 /nfs/dbraw/zinc/06/50/80/1102065080.db2.gz UUTQPAJNJALICR-UHFFFAOYSA-N 0 3 309.413 3.101 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1ccccc1 ZINC001110538069 1102170651 /nfs/dbraw/zinc/17/06/51/1102170651.db2.gz LSUVGKJDJUJTRH-OWYHZJEWSA-N 0 3 310.441 3.129 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001110543529 1102232347 /nfs/dbraw/zinc/23/23/47/1102232347.db2.gz WSUIQUDBBRSDIZ-KURKYZTESA-N 0 3 314.473 3.258 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001273814508 1102316138 /nfs/dbraw/zinc/31/61/38/1102316138.db2.gz OOCGTVWLUBYUSU-XLIONFOSSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001273814509 1102316725 /nfs/dbraw/zinc/31/67/25/1102316725.db2.gz OOCGTVWLUBYUSU-YLJYHZDGSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCOC[C@@H]1CCC[C@@]12CN(CCc1ccccc1)CCO2 ZINC001201597816 1102651171 /nfs/dbraw/zinc/65/11/71/1102651171.db2.gz AOLKZWCJEKDBNZ-VQTJNVASSA-N 0 3 315.457 3.303 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CCCC)CC2 ZINC001201705513 1102693835 /nfs/dbraw/zinc/69/38/35/1102693835.db2.gz CPWXVOMORSXZRP-UHFFFAOYSA-N 0 3 303.450 3.154 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202109558 1102858470 /nfs/dbraw/zinc/85/84/70/1102858470.db2.gz WOQXKMLTLJRXPO-VWLVURMCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202341060 1102933436 /nfs/dbraw/zinc/93/34/36/1102933436.db2.gz YESJQALYFAVJFQ-PABFRNLHSA-N 0 3 319.276 3.488 20 30 DGEDHN CC(C)CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202343189 1102934500 /nfs/dbraw/zinc/93/45/00/1102934500.db2.gz STOGQKJENCFTOQ-OALUTQOASA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CCCC1)C2 ZINC001111159000 1103056935 /nfs/dbraw/zinc/05/69/35/1103056935.db2.gz OEIHJTGKAHIWHI-KURKYZTESA-N 0 3 316.489 3.338 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@H]2CCN2CCCOC)CCCCC1 ZINC001488669607 1103099820 /nfs/dbraw/zinc/09/98/20/1103099820.db2.gz DTVYZRQQVRIOHU-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001488673646 1103101474 /nfs/dbraw/zinc/10/14/74/1103101474.db2.gz DXDKMTKUWUBLNC-IEBWSBKVSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001488673847 1103102285 /nfs/dbraw/zinc/10/22/85/1103102285.db2.gz DXDKMTKUWUBLNC-MJGOQNOKSA-N 0 3 322.493 3.082 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1C=CCCC1 ZINC001325693220 1103102915 /nfs/dbraw/zinc/10/29/15/1103102915.db2.gz FDAYZBDKJYCHOR-LJQANCHMSA-N 0 3 324.468 3.375 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccccc1F ZINC001488671260 1103103036 /nfs/dbraw/zinc/10/30/36/1103103036.db2.gz OUZHMSUYPIMBNR-CABCVRRESA-N 0 3 304.409 3.038 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NC1=CC[C@@H](C#N)CC1 ZINC001212862228 1103110976 /nfs/dbraw/zinc/11/09/76/1103110976.db2.gz FNTLBCPUTSCURO-MRXNPFEDSA-N 0 3 310.445 3.366 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1ccccc1C ZINC001488701325 1103132345 /nfs/dbraw/zinc/13/23/45/1103132345.db2.gz CASDJYXYDCEMTR-KRWDZBQOSA-N 0 3 314.473 3.381 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001493205131 1103162780 /nfs/dbraw/zinc/16/27/80/1103162780.db2.gz CHHSGWNQTBHKKJ-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001488830150 1103182838 /nfs/dbraw/zinc/18/28/38/1103182838.db2.gz JSECTCIGDIEWCZ-CTYIDZIISA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1OC)C2 ZINC001111302840 1103197641 /nfs/dbraw/zinc/19/76/41/1103197641.db2.gz CTFCXUHEUZFFTF-MCIONIFRSA-N 0 3 320.458 3.058 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001488882796 1103204065 /nfs/dbraw/zinc/20/40/65/1103204065.db2.gz IHYYETZKGDPCOQ-JOCQHMNTSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC[C@H](CC(=O)OC)C1 ZINC001138666269 1103243612 /nfs/dbraw/zinc/24/36/12/1103243612.db2.gz OMKGFUWZVJAHPD-OAHLLOKOSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C)nc1C)C2 ZINC001111372602 1103250696 /nfs/dbraw/zinc/25/06/96/1103250696.db2.gz YENRXAJZBXNZOI-KFWWJZLASA-N 0 3 319.474 3.061 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[C@H](C)CCC)C2 ZINC001110596498 1103265624 /nfs/dbraw/zinc/26/56/24/1103265624.db2.gz LRRXZWYRVAGTEC-TVFCKZIOSA-N 0 3 304.478 3.338 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1CC1=CCCCC1 ZINC001489264918 1103325291 /nfs/dbraw/zinc/32/52/91/1103325291.db2.gz ODNCMGKWFIJKNN-WBVHZDCISA-N 0 3 302.462 3.115 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001489260859 1103327330 /nfs/dbraw/zinc/32/73/30/1103327330.db2.gz KUXDMXGYDCZMKZ-UZLBHIALSA-N 0 3 324.468 3.058 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001110602118 1103388322 /nfs/dbraw/zinc/38/83/22/1103388322.db2.gz CLVZLCDJILZWKI-ZACQAIPSSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001490299952 1103546526 /nfs/dbraw/zinc/54/65/26/1103546526.db2.gz SXEAYIXVNHWASZ-UONOGXRCSA-N 0 3 309.841 3.048 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001327148585 1103554181 /nfs/dbraw/zinc/55/41/81/1103554181.db2.gz UGLNBKZMRRXMMI-NJGYHNCTSA-N 0 3 310.441 3.084 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001327161818 1103562391 /nfs/dbraw/zinc/56/23/91/1103562391.db2.gz GJPCBVKFABACBI-IEBWSBKVSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC001327162249 1103562534 /nfs/dbraw/zinc/56/25/34/1103562534.db2.gz IBUFZBLCFJIKMQ-OALUTQOASA-N 0 3 312.457 3.174 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001490449427 1103610131 /nfs/dbraw/zinc/61/01/31/1103610131.db2.gz QYKSVSLAEQHECQ-MJGOQNOKSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC001327276922 1103610714 /nfs/dbraw/zinc/61/07/14/1103610714.db2.gz IWUZCTDBSWSVFB-LJQANCHMSA-N 0 3 314.473 3.230 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114895865 1103616995 /nfs/dbraw/zinc/61/69/95/1103616995.db2.gz HAMVIYZMUPZQQK-AGXIHUBHSA-N 0 3 324.468 3.349 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C=C(/C)CC)C1 ZINC001327307664 1103620367 /nfs/dbraw/zinc/62/03/67/1103620367.db2.gz FLRTUGQEYUOLTL-FCNQMZBHSA-N 0 3 302.462 3.069 20 30 DGEDHN Cc1ccc(CNCCNc2ncccc2C#N)c(Cl)c1 ZINC001327304687 1103621055 /nfs/dbraw/zinc/62/10/55/1103621055.db2.gz IGURNSVYGIGOFN-UHFFFAOYSA-N 0 3 300.793 3.117 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001327682525 1103705048 /nfs/dbraw/zinc/70/50/48/1103705048.db2.gz MTSZRUWQCOOFOE-OAHLLOKOSA-N 0 3 316.445 3.008 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)/C=C\c3ccc[nH]3)cc2C1 ZINC001327684946 1103706129 /nfs/dbraw/zinc/70/61/29/1103706129.db2.gz JXUNXTYTFAHFMM-HJWRWDBZSA-N 0 3 321.424 3.236 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001490793783 1103745529 /nfs/dbraw/zinc/74/55/29/1103745529.db2.gz MFJHYHVNTRXQDM-WKULXVSPSA-N 0 3 302.462 3.064 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCCCC1)C2 ZINC001096075306 1103750667 /nfs/dbraw/zinc/75/06/67/1103750667.db2.gz VPJFPGHVSXVSQD-SQNIBIBYSA-N 0 3 302.462 3.092 20 30 DGEDHN CCCC1(C(=O)N2C[C@@H](C)[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001327900707 1103760479 /nfs/dbraw/zinc/76/04/79/1103760479.db2.gz HOLZFFJSISBNNP-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)C)oc1C)C2 ZINC001096268150 1103791854 /nfs/dbraw/zinc/79/18/54/1103791854.db2.gz KGVBDKXYCLNZOD-PVAVHDDUSA-N 0 3 314.429 3.070 20 30 DGEDHN C=CCOC[C@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC001252450715 1103791985 /nfs/dbraw/zinc/79/19/85/1103791985.db2.gz GLVUPVCSLFNRCS-ZYHUDNBSSA-N 0 3 304.217 3.208 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C3CCC3)c1)C2 ZINC001096348550 1103805534 /nfs/dbraw/zinc/80/55/34/1103805534.db2.gz RKLGVDUKOGVWQR-AABGKKOBSA-N 0 3 322.452 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(F)cc1)C2 ZINC001110775340 1103826668 /nfs/dbraw/zinc/82/66/68/1103826668.db2.gz HYQHWDGYRURTBM-KURKYZTESA-N 0 3 316.420 3.056 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)cc1)C2 ZINC001110789128 1103837224 /nfs/dbraw/zinc/83/72/24/1103837224.db2.gz KYYBNUYSGVVUCV-QRVBRYPASA-N 0 3 312.457 3.225 20 30 DGEDHN N#Cc1cccc(-c2cccc3cc([C@H]4CNCCO4)cn32)c1F ZINC001245069973 1103838421 /nfs/dbraw/zinc/83/84/21/1103838421.db2.gz ZEOMDIYBATUAHV-GOSISDBHSA-N 0 3 321.355 3.278 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114328981 1103857517 /nfs/dbraw/zinc/85/75/17/1103857517.db2.gz SMOHKRVOFQTJFP-QLJCABHESA-N 0 3 324.468 3.349 20 30 DGEDHN C=C[C@@](C)(O)CNCc1ccc(Br)cc1Cl ZINC001252584571 1103872752 /nfs/dbraw/zinc/87/27/52/1103872752.db2.gz BUHLBYWRZASBEM-GFCCVEGCSA-N 0 3 304.615 3.129 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001328241670 1103889079 /nfs/dbraw/zinc/88/90/79/1103889079.db2.gz USBKDULDZNHJGT-GBOJCQPWSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001490799028 1103893883 /nfs/dbraw/zinc/89/38/83/1103893883.db2.gz CXGBLHMIXHEYIC-TVFCKZIOSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(CC(C)C)s1 ZINC001153846306 1103950346 /nfs/dbraw/zinc/95/03/46/1103950346.db2.gz JINRVDCMTALAHL-OAHLLOKOSA-N 0 3 320.502 3.410 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@H](Oc3cccnc3)C2)cc1 ZINC001137119539 1103993493 /nfs/dbraw/zinc/99/34/93/1103993493.db2.gz UTRJPAVCHPPQJI-IBGZPJMESA-N 0 3 323.396 3.027 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC001328732793 1104045638 /nfs/dbraw/zinc/04/56/38/1104045638.db2.gz IZCLTWPGJZRQAE-IEBWSBKVSA-N 0 3 312.457 3.215 20 30 DGEDHN C/C(=N\O)c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245425037 1104045790 /nfs/dbraw/zinc/04/57/90/1104045790.db2.gz DEHXZDNUIKMHTP-OGBKAESYSA-N 0 3 300.402 3.153 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001328753782 1104057134 /nfs/dbraw/zinc/05/71/34/1104057134.db2.gz VLXAUTCTSRXXSM-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCNC(=O)N([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001202568844 1104059429 /nfs/dbraw/zinc/05/94/29/1104059429.db2.gz HTFQRNFXDFEKDF-CRAIPNDOSA-N 0 3 313.445 3.039 20 30 DGEDHN C#CC[C@H](CCOC)NCc1sccc1Br ZINC001328788841 1104072683 /nfs/dbraw/zinc/07/26/83/1104072683.db2.gz HXVABVDQMAUOSJ-SNVBAGLBSA-N 0 3 302.237 3.029 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001328910808 1104098919 /nfs/dbraw/zinc/09/89/19/1104098919.db2.gz DFOKIITXIUWPDK-OTTFEQOBSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C\C(C)(C)C)C12CCC2 ZINC001202664502 1104106755 /nfs/dbraw/zinc/10/67/55/1104106755.db2.gz OOHMIQHKVLEFKK-MVUUYHCISA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CC1CCC1)CC2 ZINC001202721245 1104139166 /nfs/dbraw/zinc/13/91/66/1104139166.db2.gz BOPGWJRVBXPRQD-UHFFFAOYSA-N 0 3 315.461 3.154 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccccc2OC(C)C)C1 ZINC001490815371 1104161578 /nfs/dbraw/zinc/16/15/78/1104161578.db2.gz YAFPJWOQMIUMKN-KRWDZBQOSA-N 0 3 316.445 3.131 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(F)=C(C)C)C12CCC2 ZINC001202735615 1104186021 /nfs/dbraw/zinc/18/60/21/1104186021.db2.gz MWGIEYXKFCNWKI-NEPJUHHUSA-N 0 3 300.805 3.019 20 30 DGEDHN C=CCCCC(=O)N(C)C1CCC(NCc2conc2C)CC1 ZINC001329242430 1104198182 /nfs/dbraw/zinc/19/81/82/1104198182.db2.gz BHMALFDYGWDMAE-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001329346076 1104227018 /nfs/dbraw/zinc/22/70/18/1104227018.db2.gz OJLQVVXBTLYUJG-CQSZACIVSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)cc1C ZINC001274039999 1104230474 /nfs/dbraw/zinc/23/04/74/1104230474.db2.gz PXPOJDFOWGOUJR-RTBURBONSA-N 0 3 323.440 3.008 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)ccc1C ZINC001274103130 1104246033 /nfs/dbraw/zinc/24/60/33/1104246033.db2.gz AZGPVYUBFDUXRM-IAGOWNOFSA-N 0 3 318.848 3.400 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cc(F)cc2F ZINC001329397258 1104246926 /nfs/dbraw/zinc/24/69/26/1104246926.db2.gz OZZQRRQCPBXRHN-PXAZEXFGSA-N 0 3 322.399 3.355 20 30 DGEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C[C@H]2C=CCCC2)cc1 ZINC001274120358 1104253400 /nfs/dbraw/zinc/25/34/00/1104253400.db2.gz ZKEDMUDYIGBRIT-BDUNBXCCSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1oc2c(cccc2F)c1C ZINC001329460210 1104271648 /nfs/dbraw/zinc/27/16/48/1104271648.db2.gz OZQURDFXRJWDNO-NSHDSACASA-N 0 3 304.365 3.116 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C[C@@H](OC)c1ccccc1 ZINC001329521620 1104297267 /nfs/dbraw/zinc/29/72/67/1104297267.db2.gz DRRDSQDEUULBLP-NVXWUHKLSA-N 0 3 318.461 3.023 20 30 DGEDHN COc1ccc(Cl)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001137261190 1104301632 /nfs/dbraw/zinc/30/16/32/1104301632.db2.gz BPPQTYQJLYPFCK-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001274251269 1104335011 /nfs/dbraw/zinc/33/50/11/1104335011.db2.gz NGZWWQKDCXCPQH-SUMWQHHRSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001329592363 1104335090 /nfs/dbraw/zinc/33/50/90/1104335090.db2.gz NTIXLUSTFOYAPG-GHMZBOCLSA-N 0 3 300.855 3.128 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccnc(C)c2)CCCCC1 ZINC001329861231 1104401498 /nfs/dbraw/zinc/40/14/98/1104401498.db2.gz PEEHJAZDESJGLF-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001274531988 1104406695 /nfs/dbraw/zinc/40/66/95/1104406695.db2.gz VZESKMIXKKJCRH-HNNXBMFYSA-N 0 3 310.850 3.012 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001330011709 1104452794 /nfs/dbraw/zinc/45/27/94/1104452794.db2.gz BTJPEHDLYGUFGG-AWEZNQCLSA-N 0 3 320.864 3.204 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)C(C)(C)C1 ZINC001330244875 1104518113 /nfs/dbraw/zinc/51/81/13/1104518113.db2.gz ONFHAXCNAHJXFI-DLBZAZTESA-N 0 3 322.468 3.145 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccsc3Cl)C2)C1=O ZINC001274859736 1104521619 /nfs/dbraw/zinc/52/16/19/1104521619.db2.gz VDPAFMZPKGVVFR-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@](C)(CC)CCCCC)[C@@H]2C1 ZINC001330362031 1104544592 /nfs/dbraw/zinc/54/45/92/1104544592.db2.gz CPCXNMUNHHOAJB-FTEYMNFISA-N 0 3 318.505 3.300 20 30 DGEDHN CCC[C@@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1)C(C)C ZINC001274944118 1104549521 /nfs/dbraw/zinc/54/95/21/1104549521.db2.gz PYFBTIGSWGOWGZ-IEBWSBKVSA-N 0 3 314.473 3.205 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)CCC ZINC001275063899 1104602104 /nfs/dbraw/zinc/60/21/04/1104602104.db2.gz XSGXPLSRDNNOHU-XFQXTVEOSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nc(C(C)(C)C)cs1 ZINC001275115640 1104632032 /nfs/dbraw/zinc/63/20/32/1104632032.db2.gz PYJRMTQKWFEYED-ZDUSSCGKSA-N 0 3 321.490 3.163 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1cccc(Cl)c1 ZINC001275129478 1104640618 /nfs/dbraw/zinc/64/06/18/1104640618.db2.gz WFYIFTFGVHYEEC-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCc1ccc(F)cc1 ZINC001275142773 1104646697 /nfs/dbraw/zinc/64/66/97/1104646697.db2.gz DPSKAYAXWYIYDA-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCc1ccc(F)cc1 ZINC001275142774 1104647124 /nfs/dbraw/zinc/64/71/24/1104647124.db2.gz DPSKAYAXWYIYDA-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCc1ccc(C)s1 ZINC001275176983 1104666599 /nfs/dbraw/zinc/66/65/99/1104666599.db2.gz SBFKORPLQKFOMG-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(F)c(F)c2)C1 ZINC001275480494 1104772061 /nfs/dbraw/zinc/77/20/61/1104772061.db2.gz IFQKNRVJBXYNQC-OLZOCXBDSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(F)c(F)c2)C1 ZINC001275480498 1104772241 /nfs/dbraw/zinc/77/22/41/1104772241.db2.gz IFQKNRVJBXYNQC-STQMWFEESA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001275501659 1104781644 /nfs/dbraw/zinc/78/16/44/1104781644.db2.gz HVURRWOJOQIJLS-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001275501656 1104781684 /nfs/dbraw/zinc/78/16/84/1104781684.db2.gz HVURRWOJOQIJLS-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1cccc(C(F)F)c1 ZINC001275544398 1104801477 /nfs/dbraw/zinc/80/14/77/1104801477.db2.gz MMKMEMLGDSEXRC-CQSZACIVSA-N 0 3 322.399 3.364 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)cc1 ZINC001275551873 1104804526 /nfs/dbraw/zinc/80/45/26/1104804526.db2.gz JCUOSLYTEDUWPQ-QZTJIDSGSA-N 0 3 320.436 3.143 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001275606835 1104830569 /nfs/dbraw/zinc/83/05/69/1104830569.db2.gz HTRJWRNHHSRPAR-LBPRGKRZSA-N 0 3 302.418 3.271 20 30 DGEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001275666444 1104854502 /nfs/dbraw/zinc/85/45/02/1104854502.db2.gz XINKKDCMTULHRO-FCEWJHQRSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCC(C)(C)c1ccccc1 ZINC001275730848 1104885351 /nfs/dbraw/zinc/88/53/51/1104885351.db2.gz XQLQVQSQASIVCH-MRXNPFEDSA-N 0 3 302.462 3.367 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001275818600 1104922182 /nfs/dbraw/zinc/92/21/82/1104922182.db2.gz KHWDHNQVENKODT-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001275914023 1104953687 /nfs/dbraw/zinc/95/36/87/1104953687.db2.gz XDOHLNSBDIQQKV-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN CCCC1(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)CC1 ZINC001275921129 1104957011 /nfs/dbraw/zinc/95/70/11/1104957011.db2.gz QEYWKDPFWPBAEO-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001276010555 1104987830 /nfs/dbraw/zinc/98/78/30/1104987830.db2.gz HHXDYRZXDDCPHW-YOEHRIQHSA-N 0 3 306.425 3.188 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001493186951 1105001131 /nfs/dbraw/zinc/00/11/31/1105001131.db2.gz NLEPJWCEPWZNPH-OAHLLOKOSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001276041909 1105004299 /nfs/dbraw/zinc/00/42/99/1105004299.db2.gz UWANJPMLMHTFKI-GFCCVEGCSA-N 0 3 308.800 3.003 20 30 DGEDHN C=CCCCCCCCCN1CC2(C1)CN(Cc1cn[nH]c1)C2 ZINC001276047925 1105005589 /nfs/dbraw/zinc/00/55/89/1105005589.db2.gz ZWLXMIPNJGPSQJ-UHFFFAOYSA-N 0 3 316.493 3.444 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(F)(F)C1)C2 ZINC001095509396 1105056857 /nfs/dbraw/zinc/05/68/57/1105056857.db2.gz ZXYSLTYAQLBBJM-XGUBFFRZSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc(C)cn3c1)C2 ZINC001095509956 1105057124 /nfs/dbraw/zinc/05/71/24/1105057124.db2.gz GMDRUHROUUFETR-QYZOEREBSA-N 0 3 323.440 3.159 20 30 DGEDHN CCCC[C@@H](CNCc1ccccc1F)NC(=O)C#CC(C)C ZINC001276249669 1105061665 /nfs/dbraw/zinc/06/16/65/1105061665.db2.gz GWYSBPOXVYYADV-KRWDZBQOSA-N 0 3 318.436 3.250 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110925101 1105121294 /nfs/dbraw/zinc/12/12/94/1105121294.db2.gz IVMDMNFQWIMTMY-AQNXPRMDSA-N 0 3 324.468 3.410 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1C)C2 ZINC001110973108 1105129761 /nfs/dbraw/zinc/12/97/61/1105129761.db2.gz RIEPELXLTRLQSQ-OIISXLGYSA-N 0 3 319.449 3.289 20 30 DGEDHN N#Cc1cc(F)cc(-c2noc([C@@H]3CCCN3CC3CC3)n2)c1 ZINC001249073280 1105220901 /nfs/dbraw/zinc/22/09/01/1105220901.db2.gz URRVTMSAJIQKLC-HNNXBMFYSA-N 0 3 312.348 3.294 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(OC)c(Cl)c3)no2)CCCN1 ZINC001249351944 1105272309 /nfs/dbraw/zinc/27/23/09/1105272309.db2.gz QNLPMMUBFMPIOB-MRXNPFEDSA-N 0 3 317.776 3.001 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(Cl)c(F)c3)no2)CCCN1 ZINC001249352218 1105272378 /nfs/dbraw/zinc/27/23/78/1105272378.db2.gz YVABKQYJFDVRFT-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN CN(Cc1cc2ccc(C#N)cc2[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001249431209 1105286624 /nfs/dbraw/zinc/28/66/24/1105286624.db2.gz YIZVIEURLXRJKX-GOSISDBHSA-N 0 3 317.392 3.475 20 30 DGEDHN CCc1cc(C#N)ccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249555212 1105311376 /nfs/dbraw/zinc/31/13/76/1105311376.db2.gz HWWFZMPKQGNRMA-GOSISDBHSA-N 0 3 311.429 3.301 20 30 DGEDHN C[C@H](C#N)c1ccc(NC2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001249559249 1105314606 /nfs/dbraw/zinc/31/46/06/1105314606.db2.gz QPCCPPCZBWJNDE-BEFAXECRSA-N 0 3 311.429 3.494 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C(C)C)C2 ZINC001097180903 1105360377 /nfs/dbraw/zinc/36/03/77/1105360377.db2.gz ISIIYOATGXSHBE-LZQZEXGQSA-N 0 3 310.441 3.168 20 30 DGEDHN N#CC1(CN[C@@H]2Cc3ccc(Br)cc3C2)CCC1 ZINC001254262254 1105362428 /nfs/dbraw/zinc/36/24/28/1105362428.db2.gz XWCZAVRIHRGHKO-CQSZACIVSA-N 0 3 305.219 3.200 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc3c1cccc3C)C2 ZINC001097226724 1105370554 /nfs/dbraw/zinc/37/05/54/1105370554.db2.gz SBRDVSLFYIPRBY-OLMNPRSZSA-N 0 3 322.408 3.100 20 30 DGEDHN CC(C)=CCN1CCC[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H]1C ZINC001278533057 1105371432 /nfs/dbraw/zinc/37/14/32/1105371432.db2.gz MOVNBZNQPDQWEV-AZUAARDMSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1CC)C2 ZINC001097316110 1105379078 /nfs/dbraw/zinc/37/90/78/1105379078.db2.gz PNLKCKBEKDZMNG-QRVBRYPASA-N 0 3 312.457 3.089 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc13)C2 ZINC001097456721 1105394363 /nfs/dbraw/zinc/39/43/63/1105394363.db2.gz KUWXNFHIKWOCFV-XWIAVFTESA-N 0 3 309.413 3.079 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCC1(F)F)C2 ZINC001097714456 1105433125 /nfs/dbraw/zinc/43/31/25/1105433125.db2.gz MXMYCCIECOMQRY-TUVASFSCSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC(C)C)c[nH]1)C2 ZINC001098226417 1105563294 /nfs/dbraw/zinc/56/32/94/1105563294.db2.gz HIWJUKMPADKXKS-NUJGCVRESA-N 0 3 315.461 3.124 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1Cl)C2 ZINC001098332004 1105569996 /nfs/dbraw/zinc/56/99/96/1105569996.db2.gz XVJMQELMWLELBV-OIISXLGYSA-N 0 3 318.848 3.180 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(F)c(C)c1)C2 ZINC001098430342 1105574604 /nfs/dbraw/zinc/57/46/04/1105574604.db2.gz CYXYLKYCDOJUCI-ZACQAIPSSA-N 0 3 316.420 3.354 20 30 DGEDHN CC(C)c1ccc(OC[C@H](O)CN2CCC[C@H](C#N)CC2)cc1 ZINC001250758099 1105578199 /nfs/dbraw/zinc/57/81/99/1105578199.db2.gz IQUDLGAXCUNQID-FUHWJXTLSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C2 ZINC001098479325 1105578824 /nfs/dbraw/zinc/57/88/24/1105578824.db2.gz BXXZJCQGOGNSPX-FTEYMNFISA-N 0 3 314.473 3.258 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)C[C@@H](NC(=O)CC)c1ccccc1O2 ZINC001098538890 1105582982 /nfs/dbraw/zinc/58/29/82/1105582982.db2.gz PHKRNAGLBDXTSR-APWZRJJASA-N 0 3 314.429 3.057 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001098844581 1105607825 /nfs/dbraw/zinc/60/78/25/1105607825.db2.gz FNECHTFMCMHGSZ-GGXPGOJBSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001099012906 1105628139 /nfs/dbraw/zinc/62/81/39/1105628139.db2.gz QWJSKVVDRZLEAR-MRXNPFEDSA-N 0 3 320.452 3.414 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001099038674 1105633311 /nfs/dbraw/zinc/63/33/11/1105633311.db2.gz MEONLRYKROLAQC-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001099054096 1105634894 /nfs/dbraw/zinc/63/48/94/1105634894.db2.gz VKNPUXPBNBJULZ-LNLFQRSKSA-N 0 3 316.420 3.244 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001099054058 1105635073 /nfs/dbraw/zinc/63/50/73/1105635073.db2.gz UDBONCSMODCTLS-QRFRQXIXSA-N 0 3 312.457 3.255 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001099085269 1105640251 /nfs/dbraw/zinc/64/02/51/1105640251.db2.gz MJCLYXVRFFHFPI-XLIONFOSSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001099123205 1105645263 /nfs/dbraw/zinc/64/52/63/1105645263.db2.gz XZJABFQUENBWQX-KXBFYZLASA-N 0 3 316.445 3.175 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001099131363 1105646889 /nfs/dbraw/zinc/64/68/89/1105646889.db2.gz UZKIUIMMYBNKFM-YJBOKZPZSA-N 0 3 320.383 3.395 20 30 DGEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3ccccc3o2)C1 ZINC001099149141 1105649594 /nfs/dbraw/zinc/64/95/94/1105649594.db2.gz SVTZYQZQPZHLJI-JXFKEZNVSA-N 0 3 322.408 3.040 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001099152989 1105650404 /nfs/dbraw/zinc/65/04/04/1105650404.db2.gz CGYCNJKPZDDFBB-CLWJZODNSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001099177040 1105653394 /nfs/dbraw/zinc/65/33/94/1105653394.db2.gz DISXKNKVEHFENH-UWVAXJGDSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099189768 1105656069 /nfs/dbraw/zinc/65/60/69/1105656069.db2.gz WNUYNRCOYDGZJZ-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(F)(F)C(F)F ZINC001099235827 1105660450 /nfs/dbraw/zinc/66/04/50/1105660450.db2.gz UCUHYMFWJZNEEY-LLVKDONJSA-N 0 3 324.362 3.070 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099252503 1105662085 /nfs/dbraw/zinc/66/20/85/1105662085.db2.gz WUEQQHPTYWBZBU-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC=C(C)C ZINC001099360594 1105673455 /nfs/dbraw/zinc/67/34/55/1105673455.db2.gz YXCXVHBJGMRKRE-SJORKVTESA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001491023057 1105737765 /nfs/dbraw/zinc/73/77/65/1105737765.db2.gz LPSSUAQURZLSKV-KFWWJZLASA-N 0 3 304.409 3.480 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001252126188 1105745204 /nfs/dbraw/zinc/74/52/04/1105745204.db2.gz MODRACPNVMBSJU-HZPDHXFCSA-N 0 3 311.491 3.372 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CC(N2CCC(F)CC2)C1 ZINC001252130153 1105746393 /nfs/dbraw/zinc/74/63/93/1105746393.db2.gz MGJDUDCWVDROMZ-SFHVURJKSA-N 0 3 314.489 3.216 20 30 DGEDHN CCCCCCCC[C@@H](O)CN[C@@H](CO)c1cccc(OC)c1 ZINC001252132933 1105746983 /nfs/dbraw/zinc/74/69/83/1105746983.db2.gz FFSQSSALCJXCTJ-MJGOQNOKSA-N 0 3 323.477 3.430 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CC[C@H](Oc2ncccn2)C1 ZINC001252134114 1105748075 /nfs/dbraw/zinc/74/80/75/1105748075.db2.gz VKEKCDCRWKFDQA-SJORKVTESA-N 0 3 321.465 3.041 20 30 DGEDHN C=C[C@](C)(O)CN[C@@H](C)c1ccc(F)cc1Br ZINC001252578672 1105798054 /nfs/dbraw/zinc/79/80/54/1105798054.db2.gz GDXLTTVKTSXPNA-ZANVPECISA-N 0 3 302.187 3.176 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](CNC(=O)C#CC(C)C)C2)cs1 ZINC001491104500 1105753035 /nfs/dbraw/zinc/75/30/35/1105753035.db2.gz JWNXABGNOIPBAL-INIZCTEOSA-N 0 3 318.486 3.044 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001491111322 1105754383 /nfs/dbraw/zinc/75/43/83/1105754383.db2.gz NNQSQNBEVOHIAP-KRWDZBQOSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001491118973 1105757393 /nfs/dbraw/zinc/75/73/93/1105757393.db2.gz ZKBFJTMUEKFNSN-ZWKOTPCHSA-N 0 3 304.478 3.220 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491119398 1105758072 /nfs/dbraw/zinc/75/80/72/1105758072.db2.gz DUFVVWKCAVBGAK-DZGCQCFKSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001491200408 1105773074 /nfs/dbraw/zinc/77/30/74/1105773074.db2.gz NNULWRLHEKGQDI-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001491209360 1105776303 /nfs/dbraw/zinc/77/63/03/1105776303.db2.gz CHTCGJNFVXCYNY-KGLIPLIRSA-N 0 3 302.409 3.215 20 30 DGEDHN CCC1(C(=O)N2C[C@@H](NCC#Cc3ccccc3)C(C)(C)C2)CC1 ZINC001278666307 1105779402 /nfs/dbraw/zinc/77/94/02/1105779402.db2.gz AQXUDCZXDGBUCU-GOSISDBHSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCOC[C@H](O)CNCc1ccccc1Oc1ccccc1 ZINC001252481697 1105783212 /nfs/dbraw/zinc/78/32/12/1105783212.db2.gz FSMLXZDQMAZSFQ-QGZVFWFLSA-N 0 3 313.397 3.132 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC001491232585 1105783582 /nfs/dbraw/zinc/78/35/82/1105783582.db2.gz YVRLWBMSPHJUNI-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCOC[C@H](O)CNCc1cccc(C(F)(F)F)c1Cl ZINC001252487175 1105783877 /nfs/dbraw/zinc/78/38/77/1105783877.db2.gz NWSWYWBUSHFIHH-LLVKDONJSA-N 0 3 323.742 3.012 20 30 DGEDHN C=C[C@](C)(O)CN1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001252557645 1105793577 /nfs/dbraw/zinc/79/35/77/1105793577.db2.gz JHPSLTPHPRPFHN-NRFANRHFSA-N 0 3 322.452 3.413 20 30 DGEDHN C=C[C@](C)(O)CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001252560940 1105794154 /nfs/dbraw/zinc/79/41/54/1105794154.db2.gz WARKRTXSJBSKDN-FQEVSTJZSA-N 0 3 316.489 3.039 20 30 DGEDHN C=C[C@@](C)(O)CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001252560941 1105794371 /nfs/dbraw/zinc/79/43/71/1105794371.db2.gz WARKRTXSJBSKDN-HXUWFJFHSA-N 0 3 316.489 3.039 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C)CCCCCC2)C1 ZINC001491286464 1105798625 /nfs/dbraw/zinc/79/86/25/1105798625.db2.gz KDFQFJMXXCCJNF-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCCCC(C)(C)C)C1 ZINC001491288411 1105798998 /nfs/dbraw/zinc/79/89/98/1105798998.db2.gz UDWDJLORKHEOHW-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(Cl)cc(OC)c1OC ZINC001252620293 1105805853 /nfs/dbraw/zinc/80/58/53/1105805853.db2.gz TULUCDDNJYYKQY-AAEUAGOBSA-N 0 3 313.825 3.335 20 30 DGEDHN C=CCC[C@H](O)CN[C@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC001252621796 1105806849 /nfs/dbraw/zinc/80/68/49/1105806849.db2.gz INURJYBRCXTGQZ-JSGCOSHPSA-N 0 3 315.335 3.446 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001252621940 1105806958 /nfs/dbraw/zinc/80/69/58/1105806958.db2.gz KQBFMRRZCSIDMM-HIFRSBDPSA-N 0 3 314.351 3.468 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCC(NCc2ocnc2C)CC1 ZINC001491353852 1105811802 /nfs/dbraw/zinc/81/18/02/1105811802.db2.gz CLNNVVGCEOBUFP-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001100881256 1105860393 /nfs/dbraw/zinc/86/03/93/1105860393.db2.gz SDFYTWUGQXCURE-UQPPLGOBSA-N 0 3 320.864 3.335 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC(C)(C)C)C[C@]2(C)C1 ZINC001101174315 1105895370 /nfs/dbraw/zinc/89/53/70/1105895370.db2.gz OJPBFJGANBMVBK-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCC[C@H](C)CCC)C[C@]2(C)C1 ZINC001101250569 1105903422 /nfs/dbraw/zinc/90/34/22/1105903422.db2.gz BVDXEVANKIZXQT-LMMKCTJWSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCC(c2nc(C)no2)CC1 ZINC001253241365 1105908072 /nfs/dbraw/zinc/90/80/72/1105908072.db2.gz VFAHATROEFFBPG-QGZVFWFLSA-N 0 3 321.465 3.445 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@@H]1CCCc2nccnc21 ZINC001253255221 1105913092 /nfs/dbraw/zinc/91/30/92/1105913092.db2.gz HBIYXFOAMQMYNS-DOTOQJQBSA-N 0 3 303.450 3.331 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCC(=O)Nc1ccc(F)cc1 ZINC001253256324 1105913960 /nfs/dbraw/zinc/91/39/60/1105913960.db2.gz VKRHWTGOCZVFEI-KRWDZBQOSA-N 0 3 322.424 3.241 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC001253912817 1105999756 /nfs/dbraw/zinc/99/97/56/1105999756.db2.gz NUAAHZOZCVLFJP-LBPRGKRZSA-N 0 3 322.811 3.002 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H](N2CCC[C@@H](CC#N)C2)C1 ZINC001254202298 1106034165 /nfs/dbraw/zinc/03/41/65/1106034165.db2.gz KYLUTYUEULYOIP-JKSUJKDBSA-N 0 3 321.465 3.402 20 30 DGEDHN CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001254490419 1106080525 /nfs/dbraw/zinc/08/05/25/1106080525.db2.gz KWHVATDGIURBGL-XIRDDKMYSA-N 0 3 306.450 3.298 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)c1ccc(F)cc1 ZINC001254543898 1106099693 /nfs/dbraw/zinc/09/96/93/1106099693.db2.gz AZKZHNBUGNRLSX-YOEHRIQHSA-N 0 3 304.409 3.456 20 30 DGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCc2cc(C#N)ccc2C1 ZINC001254552429 1106102529 /nfs/dbraw/zinc/10/25/29/1106102529.db2.gz LQIPCNBOVCBUNK-CQSZACIVSA-N 0 3 321.380 3.456 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001102791732 1106106243 /nfs/dbraw/zinc/10/62/43/1106106243.db2.gz JVTUPJCEPWHLSO-UMVBOHGHSA-N 0 3 300.874 3.249 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OC2CCOCC2)C1 ZINC001254646164 1106120812 /nfs/dbraw/zinc/12/08/12/1106120812.db2.gz KXKHOGPSURGKAQ-ZBFHGGJFSA-N 0 3 300.402 3.026 20 30 DGEDHN CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)Nc1ccc(F)cc1 ZINC001254649809 1106122676 /nfs/dbraw/zinc/12/26/76/1106122676.db2.gz RFJJUGQGISZDKC-KCXAZCMYSA-N 0 3 303.381 3.071 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254660602 1106126067 /nfs/dbraw/zinc/12/60/67/1106126067.db2.gz YVASPIWIDPTCQT-KLHDSHLOSA-N 0 3 319.449 3.010 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254661271 1106126169 /nfs/dbraw/zinc/12/61/69/1106126169.db2.gz RGSDUYZIKVHYKN-RRFJBIMHSA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1[C@H]1CC[C@H](C#N)C1 ZINC001254667307 1106127884 /nfs/dbraw/zinc/12/78/84/1106127884.db2.gz ANYZXQZSSAHQQX-QPSCCSFWSA-N 0 3 307.438 3.056 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCN([C@H]3CCCc4ccccc43)CC2)C1 ZINC001254673315 1106131068 /nfs/dbraw/zinc/13/10/68/1106131068.db2.gz IRKPPWKELVZGGX-POAQFYNOSA-N 0 3 309.457 3.374 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765918 1106140292 /nfs/dbraw/zinc/14/02/92/1106140292.db2.gz ZUCWHBKPAZPAIV-ZIAGYGMSSA-N 0 3 307.438 3.058 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C2CCC2)C1 ZINC001103133754 1106162312 /nfs/dbraw/zinc/16/23/12/1106162312.db2.gz JGCIBOVHOPCYLN-XNRPHZJLSA-N 0 3 312.885 3.249 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001255160919 1106194085 /nfs/dbraw/zinc/19/40/85/1106194085.db2.gz RSUPGGNSMYBNGV-HNNXBMFYSA-N 0 3 319.424 3.081 20 30 DGEDHN CC[C@@H](CC#N)NCC1(Cc2ccc(F)cc2)CCOCC1 ZINC001255161963 1106195138 /nfs/dbraw/zinc/19/51/38/1106195138.db2.gz DGTVDXORNHMLLA-KRWDZBQOSA-N 0 3 304.409 3.447 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001255161364 1106195584 /nfs/dbraw/zinc/19/55/84/1106195584.db2.gz ZUKBOQDNGRTNOR-ULQDDVLXSA-N 0 3 317.408 3.149 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001255164768 1106195933 /nfs/dbraw/zinc/19/59/33/1106195933.db2.gz QKPQGAVAUAUNHC-ZIAGYGMSSA-N 0 3 307.438 3.058 20 30 DGEDHN CC[C@@H](CC#N)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC001255165705 1106196626 /nfs/dbraw/zinc/19/66/26/1106196626.db2.gz CFTUERMARXHHQT-XHSDSOJGSA-N 0 3 321.465 3.258 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(=C)C)C1 ZINC001103307931 1106200731 /nfs/dbraw/zinc/20/07/31/1106200731.db2.gz MCTBOMGZNAKBDC-UKRRQHHQSA-N 0 3 312.885 3.415 20 30 DGEDHN CC1(C)C[C@@H](NN=Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001255344211 1106227330 /nfs/dbraw/zinc/22/73/30/1106227330.db2.gz IHJMOTQARFLNKN-INIZCTEOSA-N 0 3 301.434 3.168 20 30 DGEDHN C=CCN1CCC[C@H](N[C@H](C)CSc2ccc(C)cc2)C1=O ZINC001255754206 1106309413 /nfs/dbraw/zinc/30/94/13/1106309413.db2.gz CDXQXYZDZFGJTJ-WBVHZDCISA-N 0 3 318.486 3.242 20 30 DGEDHN CC(C)C[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256113257 1106369679 /nfs/dbraw/zinc/36/96/79/1106369679.db2.gz KERKPFCVXVEVSD-ULQDDVLXSA-N 0 3 304.434 3.223 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@H](C)c1c(C)noc1C)C(C)C ZINC001278911985 1106370911 /nfs/dbraw/zinc/37/09/11/1106370911.db2.gz HWSJZOAYQFQWMT-AWEZNQCLSA-N 0 3 321.465 3.140 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCc1scnc1C)C(C)C ZINC001278926156 1106400071 /nfs/dbraw/zinc/40/00/71/1106400071.db2.gz BNKHQIQBXVWROS-UHFFFAOYSA-N 0 3 323.506 3.129 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(C2CC2)cn1)C(C)C ZINC001278926425 1106400889 /nfs/dbraw/zinc/40/08/89/1106400889.db2.gz LUIASOSAXSRHBE-UHFFFAOYSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN([C@@H](C)CCC(C)C)CC2 ZINC001256365499 1106410351 /nfs/dbraw/zinc/41/03/51/1106410351.db2.gz RCJBYCOVEXHMJU-HNNXBMFYSA-N 0 3 305.466 3.306 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1c(C)nsc1C)C(C)(C)C ZINC001278945990 1106443556 /nfs/dbraw/zinc/44/35/56/1106443556.db2.gz RXWWAOCGHYBXBZ-OAHLLOKOSA-N 0 3 323.506 3.347 20 30 DGEDHN CO[C@@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001257016561 1106524737 /nfs/dbraw/zinc/52/47/37/1106524737.db2.gz GFAUFAVPUJKKCJ-ZGUYJTEBSA-N 0 3 302.393 3.253 20 30 DGEDHN CC[C@@H]1C[C@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001257100625 1106539345 /nfs/dbraw/zinc/53/93/45/1106539345.db2.gz CVNRUKNLYJYCPN-HUUCEWRRSA-N 0 3 321.465 3.448 20 30 DGEDHN C[C@H]1CC(NCC2(C#N)CCC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257574655 1106608264 /nfs/dbraw/zinc/60/82/64/1106608264.db2.gz QEBLOICINSXRNH-KBPBESRZSA-N 0 3 321.465 3.446 20 30 DGEDHN C=C[C@@H](C(=O)N[C@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001279033794 1106620650 /nfs/dbraw/zinc/62/06/50/1106620650.db2.gz FESKUNMJWAVRMY-HZPDHXFCSA-N 0 3 306.425 3.046 20 30 DGEDHN C=C1C[C@@H]2CC(NCc3ncccc3C(=O)OC)C[C@H](C1)C2 ZINC001257887802 1106641059 /nfs/dbraw/zinc/64/10/59/1106641059.db2.gz KXVANUFFXVKACA-YIONKMFJSA-N 0 3 300.402 3.093 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CCN(C[C@@H](F)CC)CC1 ZINC001279089811 1106714390 /nfs/dbraw/zinc/71/43/90/1106714390.db2.gz QMQZMFBCNUEYHV-WBVHZDCISA-N 0 3 310.457 3.145 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001316947277 1106807865 /nfs/dbraw/zinc/80/78/65/1106807865.db2.gz JTLIMKUCXYYOLZ-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)CCc1ccccc1F ZINC001320042060 1106812439 /nfs/dbraw/zinc/81/24/39/1106812439.db2.gz KTYRTSQMTRVLNN-MRXNPFEDSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001320072537 1106843672 /nfs/dbraw/zinc/84/36/72/1106843672.db2.gz LUNAYSOHIDDVCD-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCC(C)(C)C1 ZINC001258606388 1106846857 /nfs/dbraw/zinc/84/68/57/1106846857.db2.gz WUYFASCDBXIOOY-GDBMZVCRSA-N 0 3 303.450 3.101 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001316985694 1106851957 /nfs/dbraw/zinc/85/19/57/1106851957.db2.gz MJQGSLKMIFPVRO-GOSISDBHSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C[C@H](CC(=O)N(C)CCN(C)CC(=C)C)c1ccccc1 ZINC001320085101 1106854910 /nfs/dbraw/zinc/85/49/10/1106854910.db2.gz OWXRUIYMHMSSLO-QGZVFWFLSA-N 0 3 300.446 3.313 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccccc2F)C1 ZINC001320098506 1106870608 /nfs/dbraw/zinc/87/06/08/1106870608.db2.gz RTQVOXDTYNLLRK-SJLPKXTDSA-N 0 3 316.420 3.215 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001317005047 1106887725 /nfs/dbraw/zinc/88/77/25/1106887725.db2.gz FPENNNWZZKITSC-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001317042708 1106941037 /nfs/dbraw/zinc/94/10/37/1106941037.db2.gz JOHYQWVDACCAGE-BMFZPTHFSA-N 0 3 302.418 3.232 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001320324996 1106961021 /nfs/dbraw/zinc/96/10/21/1106961021.db2.gz LLEAYCWOKHXROI-QANKJYHBSA-N 0 3 319.424 3.309 20 30 DGEDHN CC1(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CCCCC1 ZINC001317119688 1107013066 /nfs/dbraw/zinc/01/30/66/1107013066.db2.gz WJPPKWHOSVKPBL-KDURUIRLSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC001317132592 1107030788 /nfs/dbraw/zinc/03/07/88/1107030788.db2.gz RZTMXFCZNNZMOQ-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C)cc1Cl ZINC001320555541 1107053690 /nfs/dbraw/zinc/05/36/90/1107053690.db2.gz CAZRDHSYUNIRFV-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c[nH]c2ccc(C)cc21 ZINC001320642877 1107084503 /nfs/dbraw/zinc/08/45/03/1107084503.db2.gz BPRNWGYWHOHQSU-ZDUSSCGKSA-N 0 3 319.836 3.327 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)c1ccccc1C ZINC001320645351 1107087798 /nfs/dbraw/zinc/08/77/98/1107087798.db2.gz NYRVXOUSBGPQOP-LSDHHAIUSA-N 0 3 308.853 3.335 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC001317177713 1107096516 /nfs/dbraw/zinc/09/65/16/1107096516.db2.gz XZUFCKXTTHAYRC-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCCC(F)(F)F ZINC001317178769 1107099090 /nfs/dbraw/zinc/09/90/90/1107099090.db2.gz NMDGGFYLHSCWMR-ZDUSSCGKSA-N 0 3 306.372 3.266 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001317180233 1107101066 /nfs/dbraw/zinc/10/10/66/1107101066.db2.gz IXLNOAQTAMAPJW-HKUYNNGSSA-N 0 3 314.473 3.412 20 30 DGEDHN CC1(C(=O)N2CCCC[C@@H]2CNCC#Cc2ccccc2)CCC1 ZINC001317189421 1107109317 /nfs/dbraw/zinc/10/93/17/1107109317.db2.gz PQKGTJXJMDGELJ-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN N#CC1(c2ccccc2)CC(N[C@H](CCO)c2cccs2)C1 ZINC001320877626 1107174269 /nfs/dbraw/zinc/17/42/69/1107174269.db2.gz MHJAUPOFGRZEPW-UPTPFMHGSA-N 0 3 312.438 3.385 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)NCc2ccc(Cl)c(F)c2)C1 ZINC001317264573 1107185034 /nfs/dbraw/zinc/18/50/34/1107185034.db2.gz JEDNNHSCMRBDQR-GFCCVEGCSA-N 0 3 324.827 3.430 20 30 DGEDHN CC(C(=O)NC/C=C/CNCc1ccc(C#N)cc1)=C1CCCC1 ZINC001321012471 1107220872 /nfs/dbraw/zinc/22/08/72/1107220872.db2.gz JQNMZLDIEGDTBI-SNAWJCMRSA-N 0 3 323.440 3.211 20 30 DGEDHN CC(C)CCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001317306479 1107225829 /nfs/dbraw/zinc/22/58/29/1107225829.db2.gz YMGGTSMDVGBSCQ-AWEZNQCLSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2ccccc2c1 ZINC001317409601 1107330077 /nfs/dbraw/zinc/33/00/77/1107330077.db2.gz RFHJEHWEPFERFV-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001321374645 1107333879 /nfs/dbraw/zinc/33/38/79/1107333879.db2.gz VAKRSGYJSOUMOE-BQYQJAHWSA-N 0 3 318.420 3.253 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@@H]1CCCN1Cc1ccns1 ZINC001317424161 1107350329 /nfs/dbraw/zinc/35/03/29/1107350329.db2.gz RHWYQTATTFWUMZ-OAHLLOKOSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001317462847 1107414245 /nfs/dbraw/zinc/41/42/45/1107414245.db2.gz KCEUDXARJUJXNV-UHFFFAOYSA-N 0 3 306.425 3.306 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001317471234 1107427678 /nfs/dbraw/zinc/42/76/78/1107427678.db2.gz FZKMPTZIJMHWBO-UHFFFAOYSA-N 0 3 300.446 3.041 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)C/C=C/c1ccccc1 ZINC001317485540 1107443605 /nfs/dbraw/zinc/44/36/05/1107443605.db2.gz VVOKVUBCIWMGFK-JLHYYAGUSA-N 0 3 300.446 3.350 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)C)Cc1ccc(C)c(F)c1 ZINC001317542490 1107506419 /nfs/dbraw/zinc/50/64/19/1107506419.db2.gz ZSPNCYQHYAJXPE-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001317544962 1107510641 /nfs/dbraw/zinc/51/06/41/1107510641.db2.gz VDJKHTAVQMHUOT-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001317544620 1107511868 /nfs/dbraw/zinc/51/18/68/1107511868.db2.gz QDGDVCGDPWWIPP-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1C1CC1 ZINC001322150276 1107546106 /nfs/dbraw/zinc/54/61/06/1107546106.db2.gz ZHCWFWFBMXKHEJ-INIZCTEOSA-N 0 3 312.457 3.304 20 30 DGEDHN CCC[C@](C)(CC)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001317645236 1107578544 /nfs/dbraw/zinc/57/85/44/1107578544.db2.gz HEABAJZMCCMSDF-KRWDZBQOSA-N 0 3 321.490 3.384 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001322268531 1107602008 /nfs/dbraw/zinc/60/20/08/1107602008.db2.gz DICQQICONUUUJR-QAPCUYQASA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@H](C)n1cccc1)c1ccccc1 ZINC001317726708 1107624578 /nfs/dbraw/zinc/62/45/78/1107624578.db2.gz BAOPQPKQQSDHSC-WMZOPIPTSA-N 0 3 311.429 3.072 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CCC(=C)CC1)c1ccccc1 ZINC001317725665 1107625412 /nfs/dbraw/zinc/62/54/12/1107625412.db2.gz WMTOJAJUKWXRSH-LJQANCHMSA-N 0 3 310.441 3.203 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccc(Cl)c2)C1 ZINC001317769275 1107652452 /nfs/dbraw/zinc/65/24/52/1107652452.db2.gz AEFLDYVQSUPINH-KRWDZBQOSA-N 0 3 318.848 3.290 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(CC)cc2)C1 ZINC001317770314 1107654810 /nfs/dbraw/zinc/65/48/10/1107654810.db2.gz QIVKBRDADWLQGU-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN C[C@@H](NCc1cncc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC001262238836 1107655482 /nfs/dbraw/zinc/65/54/82/1107655482.db2.gz KNMZKLSJFKQSDT-OAHLLOKOSA-N 0 3 306.413 3.404 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001317944418 1107757781 /nfs/dbraw/zinc/75/77/81/1107757781.db2.gz JYLHGMWXMIPUSZ-QZTJIDSGSA-N 0 3 304.478 3.363 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2ccccc2o1 ZINC001322818515 1107760483 /nfs/dbraw/zinc/76/04/83/1107760483.db2.gz PWRXEVJJXMGHPQ-UHFFFAOYSA-N 0 3 306.793 3.237 20 30 DGEDHN C=CCC1(C(=O)NCC2CN(CCc3cccs3)C2)CCC1 ZINC001318150441 1107862985 /nfs/dbraw/zinc/86/29/85/1107862985.db2.gz OSXGJRFQRYROFN-UHFFFAOYSA-N 0 3 318.486 3.085 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)n1 ZINC001318205189 1107895874 /nfs/dbraw/zinc/89/58/74/1107895874.db2.gz ZCAFRELFWHDFSI-HOTGVXAUSA-N 0 3 313.445 3.070 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccc(C)cc1 ZINC001318216436 1107901759 /nfs/dbraw/zinc/90/17/59/1107901759.db2.gz PHAOWQVFTXRGAD-OALUTQOASA-N 0 3 312.457 3.179 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCCc1ccccc1Cl ZINC001323245484 1107902935 /nfs/dbraw/zinc/90/29/35/1107902935.db2.gz FXPUBYLWJQJWPF-INIZCTEOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1sccc1C ZINC001318223518 1107904234 /nfs/dbraw/zinc/90/42/34/1107904234.db2.gz AQGAFTRHRFNRLQ-HOTGVXAUSA-N 0 3 318.486 3.240 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccc(C)s1 ZINC001318232677 1107910970 /nfs/dbraw/zinc/91/09/70/1107910970.db2.gz JZUPWJQANDYUEX-HOTGVXAUSA-N 0 3 318.486 3.240 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001318276237 1107925370 /nfs/dbraw/zinc/92/53/70/1107925370.db2.gz KSCISVWUMWMLPO-ICSRJNTNSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2sccc2C)C1 ZINC001318299509 1107934980 /nfs/dbraw/zinc/93/49/80/1107934980.db2.gz CJYVHICSDCDTRY-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001263183015 1107969455 /nfs/dbraw/zinc/96/94/55/1107969455.db2.gz FUEGCOWMDFAEFU-MRXNPFEDSA-N 0 3 319.424 3.438 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1c(C(C)C)nc2ccccn21 ZINC001263232824 1107981517 /nfs/dbraw/zinc/98/15/17/1107981517.db2.gz YCDZPHUKCKPRCD-ZDUSSCGKSA-N 0 3 300.406 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2cc(C)ccc2C)CC1 ZINC001263260875 1107992831 /nfs/dbraw/zinc/99/28/31/1107992831.db2.gz NWTOUKDTAHZWFV-QGZVFWFLSA-N 0 3 320.864 3.479 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2cc(C)ccc2C)CC1 ZINC001263260874 1107992954 /nfs/dbraw/zinc/99/29/54/1107992954.db2.gz NWTOUKDTAHZWFV-KRWDZBQOSA-N 0 3 320.864 3.479 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001263277335 1107993834 /nfs/dbraw/zinc/99/38/34/1107993834.db2.gz DZFMWTUWBNQQHE-HUUCEWRRSA-N 0 3 321.852 3.391 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCCc2ccc(C)cc2)C1 ZINC001318454921 1108018850 /nfs/dbraw/zinc/01/88/50/1108018850.db2.gz YKXNOPCSYLCQAM-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCCCC)C1 ZINC001323639197 1108037261 /nfs/dbraw/zinc/03/72/61/1108037261.db2.gz YGJGDWRHYLSPHR-ROUUACIJSA-N 0 3 304.478 3.293 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001323825032 1108096562 /nfs/dbraw/zinc/09/65/62/1108096562.db2.gz BUCJYRHBXMEUGG-ONNFQVAWSA-N 0 3 322.880 3.103 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1(C#N)CCCCC1 ZINC001263616261 1108109896 /nfs/dbraw/zinc/10/98/96/1108109896.db2.gz RPQBSDDARHFCEO-NSHDSACASA-N 0 3 304.781 3.114 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CCCC3CCCC3)C2)C1 ZINC001323874449 1108110316 /nfs/dbraw/zinc/11/03/16/1108110316.db2.gz ZEFGKARVPXDPKP-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC001318762821 1108189173 /nfs/dbraw/zinc/18/91/73/1108189173.db2.gz WPZIBLFWHWRPPO-CYBMUJFWSA-N 0 3 312.866 3.333 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1c(C)nsc1C ZINC001324167535 1108195792 /nfs/dbraw/zinc/19/57/92/1108195792.db2.gz NMCVNSTUZWMUSY-HNNXBMFYSA-N 0 3 321.490 3.197 20 30 DGEDHN CC1(C(=O)N2CCC[C@H]2CNCC#Cc2ccccc2)CCCC1 ZINC001324206647 1108205239 /nfs/dbraw/zinc/20/52/39/1108205239.db2.gz LPUFMQQUVIGRTD-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C1CCCC1 ZINC001263805085 1108210122 /nfs/dbraw/zinc/21/01/22/1108210122.db2.gz LCDBFAJYDOANNO-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cncc(C)c1 ZINC001324232974 1108215251 /nfs/dbraw/zinc/21/52/51/1108215251.db2.gz DXMBNOXMNPTIAH-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001263812109 1108220153 /nfs/dbraw/zinc/22/01/53/1108220153.db2.gz HPIOVWHEQFQQNA-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001263816530 1108225499 /nfs/dbraw/zinc/22/54/99/1108225499.db2.gz DJPLTEJXEDXFNC-KGLIPLIRSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001263843512 1108251684 /nfs/dbraw/zinc/25/16/84/1108251684.db2.gz BSGGUOQEMAZASP-RWMBFGLXSA-N 0 3 312.866 3.089 20 30 DGEDHN CCCC(=O)NCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC001318988547 1108264923 /nfs/dbraw/zinc/26/49/23/1108264923.db2.gz ZBNIUDIWMUXENT-UHFFFAOYSA-N 0 3 321.424 3.264 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001263880583 1108281787 /nfs/dbraw/zinc/28/17/87/1108281787.db2.gz STQCQNPBZLWRPV-DMRZNYOFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C[C@H](C(=O)NCCC1CCN(CCF)CC1)c1ccccc1 ZINC001319043196 1108291857 /nfs/dbraw/zinc/29/18/57/1108291857.db2.gz GITRWGHNYKVQCK-SFHVURJKSA-N 0 3 318.436 3.144 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001263901996 1108292356 /nfs/dbraw/zinc/29/23/56/1108292356.db2.gz QCKKAYSLDWWJCO-UXLLHSPISA-N 0 3 310.869 3.360 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)/C=C(/C)CC)C2)CC1 ZINC001263937196 1108302904 /nfs/dbraw/zinc/30/29/04/1108302904.db2.gz WBMULTYLCMBPDE-NOCRFKNCSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@H]1C)CCN(C[C@H](F)CC)CC2 ZINC001263935290 1108303171 /nfs/dbraw/zinc/30/31/71/1108303171.db2.gz YZOCCUNCLDPXGZ-HZPDHXFCSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001324557722 1108341012 /nfs/dbraw/zinc/34/10/12/1108341012.db2.gz TVVGIOIQYBVETJ-LJQANCHMSA-N 0 3 302.462 3.071 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)C=C)C1 ZINC001264036701 1108347073 /nfs/dbraw/zinc/34/70/73/1108347073.db2.gz HLIYMZPFWCCZDL-RTBURBONSA-N 0 3 324.468 3.196 20 30 DGEDHN CC#CCCCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001324642854 1108395548 /nfs/dbraw/zinc/39/55/48/1108395548.db2.gz YONRHSYQIBQISQ-HXUWFJFHSA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)c(C)cn2)CCCC1 ZINC001319363969 1108431152 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C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001264382284 1108495925 /nfs/dbraw/zinc/49/59/25/1108495925.db2.gz IKYPARUQONOPMU-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001264382282 1108496292 /nfs/dbraw/zinc/49/62/92/1108496292.db2.gz IKYPARUQONOPMU-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC2=CCCCC2)C1 ZINC001324921190 1108512823 /nfs/dbraw/zinc/51/28/23/1108512823.db2.gz LJKYBAJZQWZJGO-IBGZPJMESA-N 0 3 302.462 3.119 20 30 DGEDHN C#CCN(Cc1cccc(C(=O)NCc2ccco2)c1)CC1CC1 ZINC001319666995 1108584606 /nfs/dbraw/zinc/58/46/06/1108584606.db2.gz SEQBSMHCUYPRDP-UHFFFAOYSA-N 0 3 322.408 3.055 20 30 DGEDHN CN(Cc1cc2ccccc2[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC001319722396 1108609599 /nfs/dbraw/zinc/60/95/99/1108609599.db2.gz WITQTSMKQQSCLY-IBGZPJMESA-N 0 3 305.381 3.205 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001319768159 1108628808 /nfs/dbraw/zinc/62/88/08/1108628808.db2.gz 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C=C/C(C)=C/CC(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001283071197 1109591052 /nfs/dbraw/zinc/59/10/52/1109591052.db2.gz KRXIBTSTHLIFTM-VRAPNEHJSA-N 0 3 323.440 3.065 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCCc1ccc(Cl)cc1 ZINC001283629060 1109663028 /nfs/dbraw/zinc/66/30/28/1109663028.db2.gz CXPCVORXSLANQL-HNNXBMFYSA-N 0 3 320.864 3.123 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)CC1 ZINC001283663885 1109668787 /nfs/dbraw/zinc/66/87/87/1109668787.db2.gz SPTCPZPPYBYKJC-GOSISDBHSA-N 0 3 324.468 3.221 20 30 DGEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CCC1CCC1 ZINC001283966403 1109707032 /nfs/dbraw/zinc/70/70/32/1109707032.db2.gz TXWWTGFBYIGHBV-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)CC3CCCCC3)CCC[C@H]12 ZINC001284068870 1109728770 /nfs/dbraw/zinc/72/87/70/1109728770.db2.gz PDCRFMHKIOXVNK-IMFGXOCKSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001284132508 1109744982 /nfs/dbraw/zinc/74/49/82/1109744982.db2.gz WBHVPQLRRWKDBI-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C#CCCCC(=O)NCC1=CCN(Cc2ccc(C)c(C)c2)CC1 ZINC001284909605 1109879687 /nfs/dbraw/zinc/87/96/87/1109879687.db2.gz RHHYMQAONLCKJX-UHFFFAOYSA-N 0 3 324.468 3.355 20 30 DGEDHN C[C@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC001306932821 1111251986 /nfs/dbraw/zinc/25/19/86/1111251986.db2.gz ZOHAEUDFJJJJNS-WDEREUQCSA-N 0 3 308.407 3.203 20 30 DGEDHN Cc1cc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(C)o1 ZINC001308947766 1111497762 /nfs/dbraw/zinc/49/77/62/1111497762.db2.gz BETJHYCSDQVQHS-KRWDZBQOSA-N 0 3 310.401 3.240 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(F)cc1C ZINC001317480809 1111551755 /nfs/dbraw/zinc/55/17/55/1111551755.db2.gz YJUBGBWCPBZLKX-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCCN2CC(=C)C)CCCCC1 ZINC001317513237 1111618985 /nfs/dbraw/zinc/61/89/85/1111618985.db2.gz IWJBQAGHCLGUPX-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC[C@H]2CCCCN2C)CCCC1(C)C ZINC001313377145 1111713132 /nfs/dbraw/zinc/71/31/32/1111713132.db2.gz WHXSMNPWGXGJTG-HZPDHXFCSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)cc(C)n1 ZINC001329307903 1111752029 /nfs/dbraw/zinc/75/20/29/1111752029.db2.gz PBRMVIMGLIGHNH-UHFFFAOYSA-N 0 3 323.868 3.139 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cc(C)ns1 ZINC001316872346 1111786529 /nfs/dbraw/zinc/78/65/29/1111786529.db2.gz JXRJNZUXOJQLOF-GOEBONIOSA-N 0 3 321.490 3.277 20 30 DGEDHN C[C@@H]1CN(CCCNc2cc(Cl)ccc2C#N)CCCO1 ZINC000278316316 214086223 /nfs/dbraw/zinc/08/62/23/214086223.db2.gz YOTMWIAVBCPAHL-CYBMUJFWSA-N 0 3 307.825 3.124 20 30 DGEDHN CC[C@@H](C)N[C@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413276141 529375964 /nfs/dbraw/zinc/37/59/64/529375964.db2.gz CEYSEYLWOMXFMQ-BXUZGUMPSA-N 0 3 302.353 3.227 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000272853682 210248760 /nfs/dbraw/zinc/24/87/60/210248760.db2.gz LNOGSDUYQCEWPX-RYQLBKOJSA-N 0 3 321.486 3.149 20 30 DGEDHN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000129412032 432004623 /nfs/dbraw/zinc/00/46/23/432004623.db2.gz HNJHZYFMABWZKK-YJBOKZPZSA-N 0 3 313.832 3.471 20 30 DGEDHN CCc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280561369 529583635 /nfs/dbraw/zinc/58/36/35/529583635.db2.gz UYJCVMKIVIIKIL-IBGZPJMESA-N 0 3 317.392 3.119 20 30 DGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000413403158 529615875 /nfs/dbraw/zinc/61/58/75/529615875.db2.gz NCZDPLATLCTHRA-HZPDHXFCSA-N 0 3 301.434 3.005 20 30 DGEDHN CC[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000173200473 529695459 /nfs/dbraw/zinc/69/54/59/529695459.db2.gz IIZOBMVPXJMTHD-IBGZPJMESA-N 0 3 312.388 3.470 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1cc(C#N)ccn1 ZINC000286650356 219103222 /nfs/dbraw/zinc/10/32/22/219103222.db2.gz XSTWOPNNGQZMMU-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(CC#N)cc1 ZINC000338379265 529933924 /nfs/dbraw/zinc/93/39/24/529933924.db2.gz KQEHQEPLWBUYFU-UHFFFAOYSA-N 0 3 309.369 3.335 20 30 DGEDHN CN(CCOCCC#N)CCOc1ccccc1C(C)(C)C ZINC000339148149 529922341 /nfs/dbraw/zinc/92/23/41/529922341.db2.gz MACZBAMKOAUGGP-UHFFFAOYSA-N 0 3 304.434 3.225 20 30 DGEDHN CN(CCOCCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000339196841 529922659 /nfs/dbraw/zinc/92/26/59/529922659.db2.gz BVCPAECLPPPUIM-DLBZAZTESA-N 0 3 302.418 3.095 20 30 DGEDHN CN(Cc1ccccc1F)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348000557 530002355 /nfs/dbraw/zinc/00/23/55/530002355.db2.gz XNQIRWIZPBGOFJ-KRWDZBQOSA-N 0 3 321.355 3.038 20 30 DGEDHN Cc1nsc(NC[C@H](c2cccc(F)c2)N(C)C)c1C#N ZINC000286854818 219196277 /nfs/dbraw/zinc/19/62/77/219196277.db2.gz GQLUCGCYAUTARS-CQSZACIVSA-N 0 3 304.394 3.177 20 30 DGEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)CC)cc1 ZINC000104686634 432017368 /nfs/dbraw/zinc/01/73/68/432017368.db2.gz VOTOAVCLLMIWEB-HNNXBMFYSA-N 0 3 317.433 3.062 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(F)c2F)CC1 ZINC000106324027 432019987 /nfs/dbraw/zinc/01/99/87/432019987.db2.gz NNFBCELDUDAYBS-UHFFFAOYSA-N 0 3 309.360 3.127 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000106259579 432020071 /nfs/dbraw/zinc/02/00/71/432020071.db2.gz UFTDFPMHYSJIHB-AWEZNQCLSA-N 0 3 321.490 3.019 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(F)cccc2F)CC1 ZINC000106315793 432020193 /nfs/dbraw/zinc/02/01/93/432020193.db2.gz MYVOSNHTUKZDCD-UHFFFAOYSA-N 0 3 309.360 3.127 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@](C)(OC)C2)cc(OC)c1O ZINC000279773786 215133889 /nfs/dbraw/zinc/13/38/89/215133889.db2.gz AMVMGHRBJLCUBO-GOSISDBHSA-N 0 3 305.418 3.130 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 ZINC000106038562 432020257 /nfs/dbraw/zinc/02/02/57/432020257.db2.gz FIHHIXAEJLHCCQ-UHFFFAOYSA-N 0 3 304.459 3.007 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccnc3ccccc32)CC1 ZINC000106038973 432020332 /nfs/dbraw/zinc/02/03/32/432020332.db2.gz ORYLSRKPGMOURY-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000331302694 233010883 /nfs/dbraw/zinc/01/08/83/233010883.db2.gz XLINCZBDYYQEPJ-TYNCELHUSA-N 0 3 324.371 3.141 20 30 DGEDHN C#CCCCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000179728613 186210557 /nfs/dbraw/zinc/21/05/57/186210557.db2.gz QPIGDDDNEPUXSF-UHFFFAOYSA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCN1CCC(N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000177906225 186202385 /nfs/dbraw/zinc/20/23/85/186202385.db2.gz LTKUEKFHDQJXPE-QGZVFWFLSA-N 0 3 304.409 3.279 20 30 DGEDHN C=CCC1(C(=O)NCC2CCN(c3ccncc3)CC2)CCC1 ZINC000189966378 186256094 /nfs/dbraw/zinc/25/60/94/186256094.db2.gz UZDJKWDOBASAAC-UHFFFAOYSA-N 0 3 313.445 3.161 20 30 DGEDHN CC(C)(O)CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000189928387 186251176 /nfs/dbraw/zinc/25/11/76/186251176.db2.gz JARVGENCZOYLOX-UHFFFAOYSA-N 0 3 311.347 3.292 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000268741817 186374142 /nfs/dbraw/zinc/37/41/42/186374142.db2.gz ZRJXODXIVAIXLV-RTBURBONSA-N 0 3 324.449 3.382 20 30 DGEDHN Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)c(CN(C)C)c1 ZINC000172133585 198044015 /nfs/dbraw/zinc/04/40/15/198044015.db2.gz VBFIGQJVFOPXCX-UHFFFAOYSA-N 0 3 307.397 3.110 20 30 DGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000173196650 198194539 /nfs/dbraw/zinc/19/45/39/198194539.db2.gz IJPOORHEGUFRGK-QAPCUYQASA-N 0 3 313.445 3.039 20 30 DGEDHN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000130979073 432031069 /nfs/dbraw/zinc/03/10/69/432031069.db2.gz USGKHRWPOIGGOR-QGZVFWFLSA-N 0 3 313.445 3.281 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000173580043 198230248 /nfs/dbraw/zinc/23/02/48/198230248.db2.gz ZGCGDZDBZAQONK-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN COc1ccc(C(C)(C)CNCc2ccc(C#N)o2)cc1OC ZINC000174363779 198325250 /nfs/dbraw/zinc/32/52/50/198325250.db2.gz ALCHMNCJDUJUGE-UHFFFAOYSA-N 0 3 314.385 3.236 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC3(CC2)OCCc2ccsc23)C1 ZINC000339078553 283066058 /nfs/dbraw/zinc/06/60/58/283066058.db2.gz FRRGKNKPSDKAIJ-DZGCQCFKSA-N 0 3 302.443 3.304 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000339064608 283066205 /nfs/dbraw/zinc/06/62/05/283066205.db2.gz OSDDMCCLEMHJSG-WMLDXEAASA-N 0 3 310.397 3.239 20 30 DGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000075996988 191548806 /nfs/dbraw/zinc/54/88/06/191548806.db2.gz MQLWFQCKXVWYNH-GFCCVEGCSA-N 0 3 320.824 3.208 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000179300629 432053377 /nfs/dbraw/zinc/05/33/77/432053377.db2.gz FORSPBMJAPDZOO-GOSISDBHSA-N 0 3 313.445 3.168 20 30 DGEDHN N#Cc1cccc(C#N)c1N1CCCN(Cc2ccccc2)CC1 ZINC000302604798 283203205 /nfs/dbraw/zinc/20/32/05/283203205.db2.gz ZLLCULMJUCPSRJ-UHFFFAOYSA-N 0 3 316.408 3.142 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@H](N2CCCCC2)C1 ZINC000413134139 283253115 /nfs/dbraw/zinc/25/31/15/283253115.db2.gz KXVAGFFJDFCAIR-CYBMUJFWSA-N 0 3 324.350 3.037 20 30 DGEDHN CCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)cs1 ZINC000290261905 283255627 /nfs/dbraw/zinc/25/56/27/283255627.db2.gz ZALRNPBVSUMIEW-UHFFFAOYSA-N 0 3 319.474 3.348 20 30 DGEDHN C[C@@H](NC(=O)c1cc(C#N)cs1)[C@@H](c1ccccc1)N(C)C ZINC000187177385 200072744 /nfs/dbraw/zinc/07/27/44/200072744.db2.gz KDHXQRTZCXHAGR-WBMJQRKESA-N 0 3 313.426 3.041 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134884153 432088263 /nfs/dbraw/zinc/08/82/63/432088263.db2.gz BGRSMVCDEQPTIM-BEFAXECRSA-N 0 3 313.420 3.146 20 30 DGEDHN C[C@H](c1ccccc1Cl)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424107147 237880931 /nfs/dbraw/zinc/88/09/31/237880931.db2.gz YLSCIYPVCJFUNI-WBMJQRKESA-N 0 3 319.836 3.413 20 30 DGEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)s1 ZINC000428542966 238024732 /nfs/dbraw/zinc/02/47/32/238024732.db2.gz RUFQDIPJZPBEOI-IRXDYDNUSA-N 0 3 316.401 3.015 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428778472 238031396 /nfs/dbraw/zinc/03/13/96/238031396.db2.gz AEIZAEKDIPNQLB-CRAIPNDOSA-N 0 3 307.397 3.476 20 30 DGEDHN C[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000429580836 238055610 /nfs/dbraw/zinc/05/56/10/238055610.db2.gz RFKWWDOKUMXFQN-UONOGXRCSA-N 0 3 317.458 3.361 20 30 DGEDHN Cc1cccc2c1CN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000429593484 238056505 /nfs/dbraw/zinc/05/65/05/238056505.db2.gz VUMVSUIQLRTJSV-UHFFFAOYSA-N 0 3 319.408 3.254 20 30 DGEDHN CN(C)[C@@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000431510963 238104278 /nfs/dbraw/zinc/10/42/78/238104278.db2.gz VJQPXJSYKWQZFD-SFHVURJKSA-N 0 3 307.397 3.384 20 30 DGEDHN CC(C#N)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000431523138 238104896 /nfs/dbraw/zinc/10/48/96/238104896.db2.gz ZJFODJXAEJKDDZ-SSDOTTSWSA-N 0 3 321.591 3.301 20 30 DGEDHN CN(C)[C@H](CC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000431899591 238114037 /nfs/dbraw/zinc/11/40/37/238114037.db2.gz GKINODWKGKGBRM-LJQANCHMSA-N 0 3 321.424 3.210 20 30 DGEDHN C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000271972370 209351502 /nfs/dbraw/zinc/35/15/02/209351502.db2.gz UQVRDCKRIGLVSC-SJCJKPOMSA-N 0 3 316.351 3.091 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)N=S=N3)CC1 ZINC000271958571 209340616 /nfs/dbraw/zinc/34/06/16/209340616.db2.gz STIBFCBRDYPQBQ-UHFFFAOYSA-N 0 3 316.430 3.183 20 30 DGEDHN C[C@H](NC[C@](C)(O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000271957540 209340281 /nfs/dbraw/zinc/34/02/81/209340281.db2.gz QJGODTANPLEWCR-ZBEGNZNMSA-N 0 3 304.390 3.317 20 30 DGEDHN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271936630 209337789 /nfs/dbraw/zinc/33/77/89/209337789.db2.gz KGVHRKDXULWWBP-VHSXEESVSA-N 0 3 304.287 3.315 20 30 DGEDHN C[C@H](NCCC(=O)N1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000271917929 209323232 /nfs/dbraw/zinc/32/32/32/209323232.db2.gz CURDSSFSGGFASU-AWEZNQCLSA-N 0 3 317.408 3.141 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)c(OC(F)F)c1 ZINC000441662252 239066558 /nfs/dbraw/zinc/06/65/58/239066558.db2.gz MIJUYIYCAVDNNC-DZGCQCFKSA-N 0 3 322.355 3.018 20 30 DGEDHN COc1cc(CN2CCN(C)CC23CCCCC3)ccc1C#N ZINC000442889029 239147513 /nfs/dbraw/zinc/14/75/13/239147513.db2.gz ITKNEBSLFAJGEJ-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2ccc(F)c(C#N)c2)C1 ZINC000281576337 216395444 /nfs/dbraw/zinc/39/54/44/216395444.db2.gz ZLLSOZDSQMLYTF-HQJJXPTPSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@@H](NCCCCC(C)(C)C#N)c1nnnn1-c1ccccc1 ZINC000444668736 239318386 /nfs/dbraw/zinc/31/83/86/239318386.db2.gz FKHCCSZLEZEFPW-CQSZACIVSA-N 0 3 312.421 3.033 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000271834932 209254571 /nfs/dbraw/zinc/25/45/71/209254571.db2.gz FUGPJAWPBOTWQH-OIISXLGYSA-N 0 3 300.377 3.135 20 30 DGEDHN C=CCCCC[C@H](C)NCc1ccccc1S(=O)(=O)N(C)C ZINC000449078762 240007052 /nfs/dbraw/zinc/00/70/52/240007052.db2.gz YLJPFTOCWYNIAR-HNNXBMFYSA-N 0 3 324.490 3.161 20 30 DGEDHN C=CCOc1ccc(CNCC2(OC)CCCC2)cc1OC ZINC000449344898 240147150 /nfs/dbraw/zinc/14/71/50/240147150.db2.gz FURRJTSHZJSMET-UHFFFAOYSA-N 0 3 305.418 3.309 20 30 DGEDHN C=CC(C)(C)CNCc1cc(O)c(OC)cc1Br ZINC000449487577 240237855 /nfs/dbraw/zinc/23/78/55/240237855.db2.gz ZGSXHBOIHINJJD-UHFFFAOYSA-N 0 3 314.223 3.465 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OCCCC)c1 ZINC000449519136 240263656 /nfs/dbraw/zinc/26/36/56/240263656.db2.gz LRZBZJJTPNXEIJ-CVEARBPZSA-N 0 3 305.418 3.307 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@@H]1n1cccn1 ZINC000449657177 240347902 /nfs/dbraw/zinc/34/79/02/240347902.db2.gz NYBNQFXEBXGRCI-KSZLIROESA-N 0 3 324.428 3.042 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451352734 241091118 /nfs/dbraw/zinc/09/11/18/241091118.db2.gz IDUIWGPERQTOKX-MEBBXXQBSA-N 0 3 310.800 3.211 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Cl)c1 ZINC000451487113 241141455 /nfs/dbraw/zinc/14/14/55/241141455.db2.gz GCHWZWVYCCJATD-IMJJTQAJSA-N 0 3 302.805 3.259 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000451597170 241183874 /nfs/dbraw/zinc/18/38/74/241183874.db2.gz HPSCFLCRKORPAI-XKQJLSEDSA-N 0 3 316.445 3.244 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(Cl)c1 ZINC000451697518 241212159 /nfs/dbraw/zinc/21/21/59/241212159.db2.gz IGNVEYQYLWBLPM-YCPHGPKFSA-N 0 3 304.821 3.195 20 30 DGEDHN C=CCCN(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000455331199 242170966 /nfs/dbraw/zinc/17/09/66/242170966.db2.gz KNSIMMQXGBZSPH-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)[C@@H](NC[C@@H](O)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000190009848 432113506 /nfs/dbraw/zinc/11/35/06/432113506.db2.gz SLNSGWYXEBYNMG-GXFFZTMASA-N 0 3 309.278 3.485 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CCC1 ZINC000190015545 432112970 /nfs/dbraw/zinc/11/29/70/432112970.db2.gz JFOSCVNOVCWLDB-INIZCTEOSA-N 0 3 300.446 3.370 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000456002528 242326351 /nfs/dbraw/zinc/32/63/51/242326351.db2.gz MVHWHEUJCBSCIZ-HNNXBMFYSA-N 0 3 314.433 3.109 20 30 DGEDHN Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1CN(C)C ZINC000458256197 243007638 /nfs/dbraw/zinc/00/76/38/243007638.db2.gz CBJIJPIMERQVGV-IBGZPJMESA-N 0 3 311.429 3.469 20 30 DGEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000459001472 243224410 /nfs/dbraw/zinc/22/44/10/243224410.db2.gz NCAHMCKZBZGABH-UHFFFAOYSA-N 0 3 323.868 3.379 20 30 DGEDHN CC(C)OC1CC(N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000459335734 243340483 /nfs/dbraw/zinc/34/04/83/243340483.db2.gz IHJMXIDPEUMJTJ-UHFFFAOYSA-N 0 3 314.429 3.357 20 30 DGEDHN CCc1nnc(NC[C@@H](C)N2CCCC[C@H]2C)c(C#N)c1CC ZINC000467737422 244004719 /nfs/dbraw/zinc/00/47/19/244004719.db2.gz KEMCVSPQXTZNCR-ZIAGYGMSSA-N 0 3 315.465 3.148 20 30 DGEDHN C[C@@H](CCC1CCCCC1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115601329 284114977 /nfs/dbraw/zinc/11/49/77/284114977.db2.gz MTOKXHVGOIKTJV-KBXCAEBGSA-N 0 3 313.445 3.423 20 30 DGEDHN C[C@@H]1C[C@H](O)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000471809977 244250660 /nfs/dbraw/zinc/25/06/60/244250660.db2.gz NEMKLUYXCLRCQJ-BEFAXECRSA-N 0 3 322.408 3.092 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472344504 244300658 /nfs/dbraw/zinc/30/06/58/244300658.db2.gz CKJHAUVBLXKWRC-PKOBYXMFSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCC[C@H](C(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000474078347 244368020 /nfs/dbraw/zinc/36/80/20/244368020.db2.gz HQJGUNRECPVZNE-KRWDZBQOSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(N)ccc1C)C(C)C ZINC000262398435 203283407 /nfs/dbraw/zinc/28/34/07/203283407.db2.gz QSLNUPPITIBGAH-GOSISDBHSA-N 0 3 315.461 3.006 20 30 DGEDHN N#Cc1cccc(OCCCN(Cc2ccncc2)C2CC2)c1 ZINC000093222302 193217849 /nfs/dbraw/zinc/21/78/49/193217849.db2.gz YUTPRURTRHVCOA-UHFFFAOYSA-N 0 3 307.397 3.387 20 30 DGEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)CC(C)(C)O ZINC000093414715 193247299 /nfs/dbraw/zinc/24/72/99/193247299.db2.gz UJFJNXZZUVJIEH-UHFFFAOYSA-N 0 3 324.424 3.340 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1occc1C)C(C)C ZINC000487846756 245111521 /nfs/dbraw/zinc/11/15/21/245111521.db2.gz YZTFKUDXLAJYEE-MRXNPFEDSA-N 0 3 319.449 3.086 20 30 DGEDHN Cc1cc(CN2CCC[C@H](CC(=O)OC(C)C)C2)ccc1C#N ZINC000488334911 245176279 /nfs/dbraw/zinc/17/62/79/245176279.db2.gz RFMOTWBHWVDXAM-MRXNPFEDSA-N 0 3 314.429 3.420 20 30 DGEDHN C=C(C)CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000488560095 245209265 /nfs/dbraw/zinc/20/92/65/245209265.db2.gz CKODGJJMPOPQSI-SFHVURJKSA-N 0 3 315.461 3.335 20 30 DGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000268703572 432124018 /nfs/dbraw/zinc/12/40/18/432124018.db2.gz RTJNFDOJUFRIDE-BLLLJJGKSA-N 0 3 315.442 3.358 20 30 DGEDHN N#Cc1cccc(OCCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000271745061 209176300 /nfs/dbraw/zinc/17/63/00/209176300.db2.gz DHJJZBTWKDUCQT-UHFFFAOYSA-N 0 3 317.392 3.478 20 30 DGEDHN N#Cc1cccc(Cl)c1NCC1(N2CCCC2)CCOCC1 ZINC000266326284 205268176 /nfs/dbraw/zinc/26/81/76/205268176.db2.gz GHUNNFIUJZKPLZ-UHFFFAOYSA-N 0 3 319.836 3.269 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccnc(C#N)c1 ZINC000288541638 220220125 /nfs/dbraw/zinc/22/01/25/220220125.db2.gz VDONCMRBTJQSQQ-BEFAXECRSA-N 0 3 306.413 3.276 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000181540789 432133838 /nfs/dbraw/zinc/13/38/38/432133838.db2.gz DDRNTRCCJCINMP-CQSZACIVSA-N 0 3 317.396 3.298 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@](CC)(CO)C2)cc1OC ZINC000190223559 432133853 /nfs/dbraw/zinc/13/38/53/432133853.db2.gz GOVGUWXNYMDXAZ-IBGZPJMESA-N 0 3 319.445 3.245 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@H](O)c2ccccc2F)cc1 ZINC000268789853 432134987 /nfs/dbraw/zinc/13/49/87/432134987.db2.gz LMNPDGVTKXHSJK-LIRRHRJNSA-N 0 3 313.372 3.222 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(OC)cc1)C(C)C ZINC000496014418 246342331 /nfs/dbraw/zinc/34/23/31/246342331.db2.gz OTQGEOICVKOXQM-SFHVURJKSA-N 0 3 316.445 3.124 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(F)c1)C(C)C ZINC000496014215 246340930 /nfs/dbraw/zinc/34/09/30/246340930.db2.gz MYDYASRJJSGCNR-KRWDZBQOSA-N 0 3 304.409 3.254 20 30 DGEDHN C[C@H](N[C@H](COC(N)=O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000496972285 246466471 /nfs/dbraw/zinc/46/64/71/246466471.db2.gz CBIPKNVVBLBGNM-KSSFIOAISA-N 0 3 323.396 3.330 20 30 DGEDHN C#CC[C@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000286306679 335034746 /nfs/dbraw/zinc/03/47/46/335034746.db2.gz XIJDXTJLOSHFHX-YOEHRIQHSA-N 0 3 320.392 3.433 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCc3c2cnn3C)cc1 ZINC000268809868 432138928 /nfs/dbraw/zinc/13/89/28/432138928.db2.gz KNCTXIBVGFJWOZ-KDOFPFPSSA-N 0 3 309.413 3.160 20 30 DGEDHN CN(C)Cc1ccc(CNCc2cc(C#N)cs2)cc1F ZINC000136069136 432143999 /nfs/dbraw/zinc/14/39/99/432143999.db2.gz JQJXLBZMXOOFLH-UHFFFAOYSA-N 0 3 303.406 3.110 20 30 DGEDHN C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(C#N)c1 ZINC000181885236 432148530 /nfs/dbraw/zinc/14/85/30/432148530.db2.gz RMHFTHVFLKEFCW-XJKSGUPXSA-N 0 3 310.376 3.022 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000268953117 432148814 /nfs/dbraw/zinc/14/88/14/432148814.db2.gz WASWICHFZRGJFE-INIZCTEOSA-N 0 3 306.413 3.145 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC=C(c3ccccc3)C2)cc1 ZINC000284766874 218168443 /nfs/dbraw/zinc/16/84/43/218168443.db2.gz MUPXJYBCBSVRKZ-FQEVSTJZSA-N 0 3 304.393 3.381 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)NCCCCC#N)c1ccccc1 ZINC000171729211 284769585 /nfs/dbraw/zinc/76/95/85/284769585.db2.gz ZEYSSKSHEJHSIP-KRWDZBQOSA-N 0 3 316.449 3.063 20 30 DGEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000066971967 184442811 /nfs/dbraw/zinc/44/28/11/184442811.db2.gz SNPPIAJPEPLLIT-UHFFFAOYSA-N 0 3 306.344 3.377 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000428831383 285036773 /nfs/dbraw/zinc/03/67/73/285036773.db2.gz DIHHVVOPRHWXLZ-SJORKVTESA-N 0 3 315.461 3.466 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000428831381 285036850 /nfs/dbraw/zinc/03/68/50/285036850.db2.gz DIHHVVOPRHWXLZ-IAGOWNOFSA-N 0 3 315.461 3.466 20 30 DGEDHN COCCN(CCc1csc(C)n1)Cc1ccc(C#N)cc1 ZINC000119869813 195052307 /nfs/dbraw/zinc/05/23/07/195052307.db2.gz YQBZFVJANWXISU-UHFFFAOYSA-N 0 3 315.442 3.014 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000269992197 208044075 /nfs/dbraw/zinc/04/40/75/208044075.db2.gz RSIYVQODOJRABU-FQEVSTJZSA-N 0 3 306.409 3.331 20 30 DGEDHN CCCCNC(=O)[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249407368 285072318 /nfs/dbraw/zinc/07/23/18/285072318.db2.gz XBVOGBDFOPQPNJ-QAPCUYQASA-N 0 3 313.445 3.248 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249409934 285072983 /nfs/dbraw/zinc/07/29/83/285072983.db2.gz XTSRVJWLMVLOBC-WMLDXEAASA-N 0 3 321.428 3.037 20 30 DGEDHN C=CCCC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCCN1CC ZINC000270186794 208247967 /nfs/dbraw/zinc/24/79/67/208247967.db2.gz DKFGIPMMSCGMDJ-KRWDZBQOSA-N 0 3 316.445 3.171 20 30 DGEDHN C[C@H](NCc1ccccc1Cn1cncn1)c1ccc(C#N)cc1 ZINC000337810530 253178098 /nfs/dbraw/zinc/17/80/98/253178098.db2.gz KUGUIIZOPUBBOU-HNNXBMFYSA-N 0 3 317.396 3.049 20 30 DGEDHN COc1cc(CN[C@H]2CCc3ccccc3OC2)ccc1C#N ZINC000337841408 253182636 /nfs/dbraw/zinc/18/26/36/253182636.db2.gz ZPCYAQGDRSEPCT-KRWDZBQOSA-N 0 3 308.381 3.050 20 30 DGEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)c(F)c1 ZINC000338349336 253271053 /nfs/dbraw/zinc/27/10/53/253271053.db2.gz CJGHCSQCWBJECH-UHFFFAOYSA-N 0 3 313.332 3.280 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272961741 210346108 /nfs/dbraw/zinc/34/61/08/210346108.db2.gz NOKOCYIUQJKZKM-INIZCTEOSA-N 0 3 313.445 3.035 20 30 DGEDHN COc1ccc([C@H](CN2CCCC2)Nc2cc(C#N)ccn2)cc1 ZINC000286478021 219010597 /nfs/dbraw/zinc/01/05/97/219010597.db2.gz LFUTUJDPMGAZNI-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)CCOc2cccc(C#N)c2)C12CCC2 ZINC000341617021 253840416 /nfs/dbraw/zinc/84/04/16/253840416.db2.gz DOXGSMXZUGKKKI-ZWKOTPCHSA-N 0 3 314.429 3.217 20 30 DGEDHN COCC1(C#N)CCN(CCCOc2ccccc2C)CC1 ZINC000341984550 533111276 /nfs/dbraw/zinc/11/12/76/533111276.db2.gz WGGIBLIZFYBEBH-UHFFFAOYSA-N 0 3 302.418 3.016 20 30 DGEDHN CCOCCO[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000157803806 197216944 /nfs/dbraw/zinc/21/69/44/197216944.db2.gz MDCPBTALWXXICA-KRWDZBQOSA-N 0 3 316.445 3.115 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000357819612 533116581 /nfs/dbraw/zinc/11/65/81/533116581.db2.gz DZWSAOIGILTHRX-BBRMVZONSA-N 0 3 312.344 3.222 20 30 DGEDHN CCCN(CCN1CCCC1)c1ncc(Cl)c(C)c1C#N ZINC000343245125 254119489 /nfs/dbraw/zinc/11/94/89/254119489.db2.gz BNKWBXAWCIBRLA-UHFFFAOYSA-N 0 3 306.841 3.227 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)c1nccc(C)c1C#N ZINC000343483305 254150111 /nfs/dbraw/zinc/15/01/11/254150111.db2.gz WMXKOFGOMFXBHR-UHFFFAOYSA-N 0 3 308.429 3.350 20 30 DGEDHN Cc1ccnc(NC[C@H]2CCCN2Cc2ccccc2)c1C#N ZINC000343483325 254150250 /nfs/dbraw/zinc/15/02/50/254150250.db2.gz WTDIOQYPWYIKQP-QGZVFWFLSA-N 0 3 306.413 3.338 20 30 DGEDHN N#Cc1cccc(CCN[C@@H](c2ccccc2)c2cncnc2)c1 ZINC000343526813 254155928 /nfs/dbraw/zinc/15/59/28/254155928.db2.gz ZEOOTABPURGDTD-FQEVSTJZSA-N 0 3 314.392 3.270 20 30 DGEDHN CCC(CC)CN(CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000343600780 254166114 /nfs/dbraw/zinc/16/61/14/254166114.db2.gz PGFQEALUDVUBTF-OAHLLOKOSA-N 0 3 319.474 3.483 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000343620204 254168670 /nfs/dbraw/zinc/16/86/70/254168670.db2.gz MCWZCUJARNMNRQ-LLVKDONJSA-N 0 3 311.410 3.355 20 30 DGEDHN CN(CCCN(C)c1ccc(F)cc1C#N)Cc1ccco1 ZINC000343860126 254197157 /nfs/dbraw/zinc/19/71/57/254197157.db2.gz NRUANVVTHMVIEK-UHFFFAOYSA-N 0 3 301.365 3.249 20 30 DGEDHN N#Cc1ccc(CNCCc2nc(-c3ccncc3)cs2)cc1 ZINC000344558048 254282445 /nfs/dbraw/zinc/28/24/45/254282445.db2.gz XBRPANVKLOIWDR-UHFFFAOYSA-N 0 3 320.421 3.409 20 30 DGEDHN COc1cc2c(c(CNCC(C)(C)CCC#N)c1)O[C@H](C)C2 ZINC000342270321 533148985 /nfs/dbraw/zinc/14/89/85/533148985.db2.gz AUAXOTZKTUDMFM-CYBMUJFWSA-N 0 3 302.418 3.438 20 30 DGEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000120705143 195220251 /nfs/dbraw/zinc/22/02/51/195220251.db2.gz PGOZFJNHTIRVJG-OCCSQVGLSA-N 0 3 305.447 3.459 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1cccc(C#N)c1 ZINC000122088808 195399674 /nfs/dbraw/zinc/39/96/74/195399674.db2.gz GSHUMOZLYKVZGL-CVEARBPZSA-N 0 3 315.417 3.094 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271619244 209066304 /nfs/dbraw/zinc/06/63/04/209066304.db2.gz CORMJDPYIIJWNN-AWEZNQCLSA-N 0 3 321.380 3.168 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000157218999 533268166 /nfs/dbraw/zinc/26/81/66/533268166.db2.gz QTZNDDSJBHZLOH-AWEZNQCLSA-N 0 3 310.397 3.335 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCCCC[C@H]1C[C@H](C)O ZINC000318450279 533269428 /nfs/dbraw/zinc/26/94/28/533269428.db2.gz PMZZJUGLNMQUFD-YOEHRIQHSA-N 0 3 302.418 3.082 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCSC2(CCC2)CC1 ZINC000411867145 533270341 /nfs/dbraw/zinc/27/03/41/533270341.db2.gz IVSYAFXJXLGBGF-UHFFFAOYSA-N 0 3 302.443 3.428 20 30 DGEDHN COC(=O)CC1(NCc2ccccc2C(C)(C)C#N)CCC1 ZINC000353000830 533319854 /nfs/dbraw/zinc/31/98/54/533319854.db2.gz NJUXYNUINMMZKU-UHFFFAOYSA-N 0 3 300.402 3.063 20 30 DGEDHN C#Cc1cccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000496320607 533345036 /nfs/dbraw/zinc/34/50/36/533345036.db2.gz FVMHOPDDCRUGAA-HNNXBMFYSA-N 0 3 320.392 3.475 20 30 DGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000430745197 533357802 /nfs/dbraw/zinc/35/78/02/533357802.db2.gz XXXSQEUROPFAOK-OAHLLOKOSA-N 0 3 324.428 3.344 20 30 DGEDHN COc1cccc(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433218180 533463875 /nfs/dbraw/zinc/46/38/75/533463875.db2.gz HUEDTWJTYOQJOE-GOSISDBHSA-N 0 3 322.408 3.126 20 30 DGEDHN C=C(C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000455308556 533486901 /nfs/dbraw/zinc/48/69/01/533486901.db2.gz JOTMMZFCWSMYCL-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000295662005 533495950 /nfs/dbraw/zinc/49/59/50/533495950.db2.gz AWYZDVRJLCFYDW-KBAYOESNSA-N 0 3 312.413 3.004 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CSC)C1 ZINC000292526065 533503728 /nfs/dbraw/zinc/50/37/28/533503728.db2.gz WRXDCUMTRXUIAE-OAHLLOKOSA-N 0 3 320.458 3.021 20 30 DGEDHN COc1cccc(/C=N/[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000005291523 400087429 /nfs/dbraw/zinc/08/74/29/400087429.db2.gz GFIPLXYTSQSXGK-RONKMWSCSA-N 0 3 310.397 3.094 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000595090912 400103000 /nfs/dbraw/zinc/10/30/00/400103000.db2.gz SBCDAQYPHQRAAH-GJZGRUSLSA-N 0 3 303.425 3.468 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(C#N)cc1 ZINC000066726829 400112631 /nfs/dbraw/zinc/11/26/31/400112631.db2.gz FOTOXNZJXOWKCS-UHFFFAOYSA-N 0 3 321.424 3.282 20 30 DGEDHN CC(C)[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000008002611 400115764 /nfs/dbraw/zinc/11/57/64/400115764.db2.gz NUGXPUDVDUZGNB-LJQANCHMSA-N 0 3 307.397 3.484 20 30 DGEDHN C=CCOCCCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000608555682 400084463 /nfs/dbraw/zinc/08/44/63/400084463.db2.gz NBGHKQVAHLLZAR-UHFFFAOYSA-N 0 3 316.445 3.097 20 30 DGEDHN CCN(CCN1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595296061 400120967 /nfs/dbraw/zinc/12/09/67/400120967.db2.gz WYPYOPRSZYTZGF-BBWFWOEESA-N 0 3 315.461 3.050 20 30 DGEDHN C=CC1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000600683122 400129699 /nfs/dbraw/zinc/12/96/99/400129699.db2.gz LKAVDCOGRACTIF-IBGZPJMESA-N 0 3 311.425 3.478 20 30 DGEDHN N#C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccncc2)CC1 ZINC000595345547 400132038 /nfs/dbraw/zinc/13/20/38/400132038.db2.gz CTKTVMHXQPZPIK-QGZVFWFLSA-N 0 3 312.804 3.122 20 30 DGEDHN CC(C)(CCN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000609676483 400186151 /nfs/dbraw/zinc/18/61/51/400186151.db2.gz FNUXIVJGQJAMJB-GOSISDBHSA-N 0 3 321.424 3.042 20 30 DGEDHN CC(C)[C@H](Cn1cccn1)NCc1ccc(C#N)c(Cl)c1 ZINC000585726585 400134448 /nfs/dbraw/zinc/13/44/48/400134448.db2.gz VVESPQIWRUBWMP-INIZCTEOSA-N 0 3 302.809 3.223 20 30 DGEDHN N#CCC1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000595424582 400145917 /nfs/dbraw/zinc/14/59/17/400145917.db2.gz GVRGURDTUYPUHS-UHFFFAOYSA-N 0 3 308.328 3.176 20 30 DGEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000609204476 400150385 /nfs/dbraw/zinc/15/03/85/400150385.db2.gz QSCXXVQRMULGDN-HUUCEWRRSA-N 0 3 305.466 3.228 20 30 DGEDHN CCCC[C@@H](CCC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000318870697 400159101 /nfs/dbraw/zinc/15/91/01/400159101.db2.gz LCTZQPTZZWOGNS-MRXNPFEDSA-N 0 3 322.474 3.280 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000319745587 400161201 /nfs/dbraw/zinc/16/12/01/400161201.db2.gz YHOORXYCSHCGJU-RYUDHWBXSA-N 0 3 306.369 3.140 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1F ZINC000616749119 400219351 /nfs/dbraw/zinc/21/93/51/400219351.db2.gz PHKVHDJXFRCVFS-HDICACEKSA-N 0 3 321.399 3.266 20 30 DGEDHN Cc1nsc(N2CCCN(CC3CCCCC3)CC2)c1C#N ZINC000588813737 400231447 /nfs/dbraw/zinc/23/14/47/400231447.db2.gz HXAQNHCHTISNIP-UHFFFAOYSA-N 0 3 318.490 3.416 20 30 DGEDHN N#Cc1ccc(CNC[C@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000588928775 400246709 /nfs/dbraw/zinc/24/67/09/400246709.db2.gz UIYXTEDXJKEZFT-OAHLLOKOSA-N 0 3 318.779 3.216 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H]2C[C@@H](C)O)ccc1OC ZINC000093483355 400247995 /nfs/dbraw/zinc/24/79/95/400247995.db2.gz ZYHHIOXUMJOQAA-WBVHZDCISA-N 0 3 319.445 3.385 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCCCC#N)C1 ZINC000588153385 400191853 /nfs/dbraw/zinc/19/18/53/400191853.db2.gz JTWGAFOZXPGAEB-AEFFLSMTSA-N 0 3 313.445 3.412 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)cc1 ZINC000067678523 400193385 /nfs/dbraw/zinc/19/33/85/400193385.db2.gz WFTYAZIGPDGHRE-UHFFFAOYSA-N 0 3 313.445 3.142 20 30 DGEDHN CCOc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609841120 400195354 /nfs/dbraw/zinc/19/53/54/400195354.db2.gz BGCCGTWSOIIUAP-KDOFPFPSSA-N 0 3 308.381 3.451 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)[C@@H](CO)Cc1ccccc1 ZINC000595593572 400197387 /nfs/dbraw/zinc/19/73/87/400197387.db2.gz WSBABVXNJLKCHP-GOSISDBHSA-N 0 3 300.446 3.386 20 30 DGEDHN CC[C@H](C)N(CC)CC(=O)Nc1ccccc1SCC#N ZINC000595602542 400199902 /nfs/dbraw/zinc/19/99/02/400199902.db2.gz WROVUQJOPYTBBA-ZDUSSCGKSA-N 0 3 305.447 3.361 20 30 DGEDHN CC(=O)NCCc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000092738595 400200165 /nfs/dbraw/zinc/20/01/65/400200165.db2.gz AOXHFCUNUZTDFT-HNNXBMFYSA-N 0 3 321.424 3.088 20 30 DGEDHN C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000588204567 400201222 /nfs/dbraw/zinc/20/12/22/400201222.db2.gz UUJMIHSGJJQEQZ-UGSOOPFHSA-N 0 3 314.816 3.466 20 30 DGEDHN Oc1cccc(/C=N/C[C@H](c2ccccc2)N2CCCC2)c1O ZINC000022769543 400204372 /nfs/dbraw/zinc/20/43/72/400204372.db2.gz KVHBBYLVECLYSD-UOBPLZBXSA-N 0 3 310.397 3.354 20 30 DGEDHN N#CC[C@@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000595611998 400204447 /nfs/dbraw/zinc/20/44/47/400204447.db2.gz RCSQPFKBSIKKDV-ZDUSSCGKSA-N 0 3 316.430 3.356 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)c2ccccc2CC#N)N(C)C)cc1 ZINC000601019457 400205038 /nfs/dbraw/zinc/20/50/38/400205038.db2.gz BGXVICCVFSLWTK-IBGZPJMESA-N 0 3 321.424 3.094 20 30 DGEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000610002051 400205743 /nfs/dbraw/zinc/20/57/43/400205743.db2.gz YSOMWZNIQPJOQF-CVEARBPZSA-N 0 3 305.466 3.230 20 30 DGEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000610002053 400205876 /nfs/dbraw/zinc/20/58/76/400205876.db2.gz YSOMWZNIQPJOQF-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000595620778 400209653 /nfs/dbraw/zinc/20/96/53/400209653.db2.gz QQFPYUBZGGPZPD-CYBMUJFWSA-N 0 3 305.809 3.294 20 30 DGEDHN CCOc1ccccc1NC(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595619702 400209749 /nfs/dbraw/zinc/20/97/49/400209749.db2.gz FTRNYDRAWRCXBE-OAHLLOKOSA-N 0 3 315.417 3.040 20 30 DGEDHN Cn1ccnc1COc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595619578 400209970 /nfs/dbraw/zinc/20/99/70/400209970.db2.gz DLUIRWRULIJMGA-MRXNPFEDSA-N 0 3 324.428 3.125 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000595622597 400210978 /nfs/dbraw/zinc/21/09/78/400210978.db2.gz BYBIZFLLTBMRMV-UZLBHIALSA-N 0 3 308.425 3.369 20 30 DGEDHN N#CC[C@@H]1CCCN(CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000595623559 400211425 /nfs/dbraw/zinc/21/14/25/400211425.db2.gz TZYFKTXGUWLOGL-BBRMVZONSA-N 0 3 315.442 3.115 20 30 DGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](c2ccccc2)C2CC2)cc1 ZINC000023678700 400211785 /nfs/dbraw/zinc/21/17/85/400211785.db2.gz MFKGORAKMCCEKM-UYAOXDASSA-N 0 3 322.408 3.039 20 30 DGEDHN C=CCCCCCN(C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000610079915 400212290 /nfs/dbraw/zinc/21/22/90/400212290.db2.gz WTWANSZKAOWJQV-HZPDHXFCSA-N 0 3 323.481 3.069 20 30 DGEDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(C#N)c1 ZINC000026299329 400255141 /nfs/dbraw/zinc/25/51/41/400255141.db2.gz XEWSNKAUJYLMSV-HNNXBMFYSA-N 0 3 317.396 3.332 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000595791764 400262993 /nfs/dbraw/zinc/26/29/93/400262993.db2.gz WLFOHBYYNGIQST-FUHWJXTLSA-N 0 3 302.393 3.478 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595822659 400270877 /nfs/dbraw/zinc/27/08/77/400270877.db2.gz ZPILESZGEFLNRE-NUYPLMSZSA-N 0 3 305.353 3.473 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826742 400272696 /nfs/dbraw/zinc/27/26/96/400272696.db2.gz OQXLVZAQXIHOKQ-LJQANCHMSA-N 0 3 321.424 3.278 20 30 DGEDHN CC(C)[C@@H]1CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000574954429 400322451 /nfs/dbraw/zinc/32/24/51/400322451.db2.gz BBWVJVUSSSVJQF-KRWDZBQOSA-N 0 3 309.417 3.089 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000595880713 400284991 /nfs/dbraw/zinc/28/49/91/400284991.db2.gz NWJWRHQETUAFFN-NVXWUHKLSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H](C2CCCCC2)C1)C1CC1 ZINC000595877885 400285435 /nfs/dbraw/zinc/28/54/35/400285435.db2.gz LDYIDEFFRCXXPM-QFBILLFUSA-N 0 3 317.477 3.087 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CCCCC2)C1 ZINC000595880715 400286132 /nfs/dbraw/zinc/28/61/32/400286132.db2.gz NWJWRHQETUAFFN-WBVHZDCISA-N 0 3 317.477 3.230 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccccc1Br ZINC000610672391 400287907 /nfs/dbraw/zinc/28/79/07/400287907.db2.gz QZCYBYLAZGONRO-GWCFXTLKSA-N 0 3 307.191 3.272 20 30 DGEDHN C[C@H]1[C@H](C)N(CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000595886465 400287857 /nfs/dbraw/zinc/28/78/57/400287857.db2.gz OGHFXFGPXIOLIV-HOTGVXAUSA-N 0 3 304.482 3.261 20 30 DGEDHN C[C@]1(NCc2ccc(C#N)c(F)c2)CCN(Cc2ccccc2)C1 ZINC000406008496 400300617 /nfs/dbraw/zinc/30/06/17/400300617.db2.gz UDVYQONWRTZIIH-FQEVSTJZSA-N 0 3 323.415 3.452 20 30 DGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000578099042 400325837 /nfs/dbraw/zinc/32/58/37/400325837.db2.gz AGNQODGBLWNSRD-GASCZTMLSA-N 0 3 324.390 3.471 20 30 DGEDHN CC(C)(C)N1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000596337367 400384677 /nfs/dbraw/zinc/38/46/77/400384677.db2.gz VTZAPCAUGQYKDZ-LLVKDONJSA-N 0 3 312.339 3.257 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000601961860 400388350 /nfs/dbraw/zinc/38/83/50/400388350.db2.gz ILCCJBJXHZXJPJ-MRXNPFEDSA-N 0 3 316.445 3.095 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC(C)(C)[C@H]1C1CC1 ZINC000578229728 400326994 /nfs/dbraw/zinc/32/69/94/400326994.db2.gz IYXQXKOKHJIVRP-PKOBYXMFSA-N 0 3 315.457 3.275 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(NC(N)=O)cc1 ZINC000611390965 400391587 /nfs/dbraw/zinc/39/15/87/400391587.db2.gz XPUFVFALCLMKEC-GOSISDBHSA-N 0 3 320.396 3.216 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC(C4CC4)CC3)C2=O)cc1 ZINC000590008061 400347232 /nfs/dbraw/zinc/34/72/32/400347232.db2.gz BIGUUAPOLQODFG-IBGZPJMESA-N 0 3 323.440 3.176 20 30 DGEDHN Cc1ncc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)s1 ZINC000601771708 400347375 /nfs/dbraw/zinc/34/73/75/400347375.db2.gz KLPHFVZKONCZCV-SWLSCSKDSA-N 0 3 313.426 3.401 20 30 DGEDHN CCCCOCCOCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393215 400392408 /nfs/dbraw/zinc/39/24/08/400392408.db2.gz PJOLLMDSJLDZSR-IBGZPJMESA-N 0 3 316.445 3.359 20 30 DGEDHN CCc1nc(C#N)cc(SCCN(C)Cc2ccccc2)n1 ZINC000596214974 400352237 /nfs/dbraw/zinc/35/22/37/400352237.db2.gz OIRJHHJBZIVFDK-UHFFFAOYSA-N 0 3 312.442 3.135 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(CO)(c2ccccc2)CC1 ZINC000590119764 400358319 /nfs/dbraw/zinc/35/83/19/400358319.db2.gz OWXABWRRNKMWME-UHFFFAOYSA-N 0 3 320.436 3.393 20 30 DGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590159558 400364474 /nfs/dbraw/zinc/36/44/74/400364474.db2.gz DRAPAOAQVAHHLA-QXAKKESOSA-N 0 3 317.477 3.182 20 30 DGEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)cc(C#N)c1[N+](=O)[O-] ZINC000596297589 400374210 /nfs/dbraw/zinc/37/42/10/400374210.db2.gz RKWZBGVDGQBDTA-JKSUJKDBSA-N 0 3 314.389 3.204 20 30 DGEDHN Cc1cc(NC[C@H]2CCN2C(C)(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000596309563 400376739 /nfs/dbraw/zinc/37/67/39/400376739.db2.gz VPPJNGKWXBYWMC-CYBMUJFWSA-N 0 3 302.378 3.060 20 30 DGEDHN COc1ccc(OCCN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000611465444 400405976 /nfs/dbraw/zinc/40/59/76/400405976.db2.gz VIYCJXQVHAMFGP-ZDUSSCGKSA-N 0 3 314.360 3.436 20 30 DGEDHN CCOC(=O)c1cc(CN[C@@H]2CCc3cc(C#N)ccc32)[nH]c1C ZINC000590653801 400410002 /nfs/dbraw/zinc/41/00/02/400410002.db2.gz YONKDMPVGUEDHQ-GOSISDBHSA-N 0 3 323.396 3.149 20 30 DGEDHN CC(C#N)C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000602179222 400421482 /nfs/dbraw/zinc/42/14/82/400421482.db2.gz DYXBKCNKAVISNJ-GFCCVEGCSA-N 0 3 319.474 3.381 20 30 DGEDHN N#Cc1ccc(OC2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC000611526371 400416499 /nfs/dbraw/zinc/41/64/99/400416499.db2.gz JQGVLHKPXGPPAM-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000602576295 400501739 /nfs/dbraw/zinc/50/17/39/400501739.db2.gz ATJGUKIILPHPQD-GFCCVEGCSA-N 0 3 306.435 3.150 20 30 DGEDHN CC(C)[C@@H](NC[C@@H](C)CCC#N)c1nc(-c2cccnc2)no1 ZINC000602594748 400507352 /nfs/dbraw/zinc/50/73/52/400507352.db2.gz SXXGHPFYKQBMKL-DZGCQCFKSA-N 0 3 313.405 3.358 20 30 DGEDHN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](C)CCC#N ZINC000602441362 400463886 /nfs/dbraw/zinc/46/38/86/400463886.db2.gz DBXYGMBBCZNAFM-AWEZNQCLSA-N 0 3 312.417 3.486 20 30 DGEDHN CN(Cc1cccc(C#N)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602445287 400465722 /nfs/dbraw/zinc/46/57/22/400465722.db2.gz ONBJVQBWLZFQFU-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H](C4CCC4)C3)o2)cc1 ZINC000591061929 400481042 /nfs/dbraw/zinc/48/10/42/400481042.db2.gz OSCLWLMUXLHGHH-INIZCTEOSA-N 0 3 308.385 3.230 20 30 DGEDHN CSCC[C@@H](NC[C@@H](C)CCC#N)c1nnc2ccccn21 ZINC000602510241 400483794 /nfs/dbraw/zinc/48/37/94/400483794.db2.gz FWJPFDAKIXPDTK-UONOGXRCSA-N 0 3 317.462 3.053 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000596710196 400484343 /nfs/dbraw/zinc/48/43/43/400484343.db2.gz XYJVLBSDLAISPN-OAHLLOKOSA-N 0 3 314.433 3.109 20 30 DGEDHN N#Cc1cccc(CNC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000602519838 400487338 /nfs/dbraw/zinc/48/73/38/400487338.db2.gz BOVKIMVFVDXGOJ-VQIMIIECSA-N 0 3 307.397 3.211 20 30 DGEDHN C[C@H](CCC#N)CN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000602618569 400512944 /nfs/dbraw/zinc/51/29/44/400512944.db2.gz ZPORSAISJGDDJY-DYVFJYSZSA-N 0 3 300.381 3.178 20 30 DGEDHN C[C@@H](CCC#N)CN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000602618570 400513028 /nfs/dbraw/zinc/51/30/28/400513028.db2.gz ZPORSAISJGDDJY-GUYCJALGSA-N 0 3 300.381 3.178 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618354095 400573067 /nfs/dbraw/zinc/57/30/67/400573067.db2.gz UFSCCSIPVYPEBZ-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN CCC[C@H]1CN(CC2(CC#N)CC2)CCN1CC1(CC#N)CC1 ZINC000602791770 400574611 /nfs/dbraw/zinc/57/46/11/400574611.db2.gz CZPRMCIZQNNEAV-KRWDZBQOSA-N 0 3 314.477 3.160 20 30 DGEDHN Cc1ccccc1[C@@H]([C@@H](C)NCc1cccc(C#N)n1)N(C)C ZINC000602625140 400515718 /nfs/dbraw/zinc/51/57/18/400515718.db2.gz DPAGLMLGTVYUSK-DNVCBOLYSA-N 0 3 308.429 3.043 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCOc2c(F)cccc21 ZINC000602624423 400515741 /nfs/dbraw/zinc/51/57/41/400515741.db2.gz BAVBFOCDWIDSQR-CJNGLKHVSA-N 0 3 318.392 3.338 20 30 DGEDHN C[C@H](CC#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000596889636 400518515 /nfs/dbraw/zinc/51/85/15/400518515.db2.gz PKOSBLIGOLJSFU-AEFFLSMTSA-N 0 3 313.445 3.126 20 30 DGEDHN Cc1c(CN[C@@H](C)CC2(C#N)CCOCC2)cccc1[N+](=O)[O-] ZINC000602634999 400518981 /nfs/dbraw/zinc/51/89/81/400518981.db2.gz RGSCKBFTHSDYJW-ZDUSSCGKSA-N 0 3 317.389 3.092 20 30 DGEDHN CO[C@H](CN[C@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000602641912 400521195 /nfs/dbraw/zinc/52/11/95/400521195.db2.gz VBMMMRSFGJBCBY-ICSRJNTNSA-N 0 3 306.409 3.393 20 30 DGEDHN C[C@H](CCC#N)CN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000602659435 400528871 /nfs/dbraw/zinc/52/88/71/400528871.db2.gz QBPMRGCYZXGKOH-CVEARBPZSA-N 0 3 301.434 3.078 20 30 DGEDHN C[C@]1(C#N)CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000612366717 400531413 /nfs/dbraw/zinc/53/14/13/400531413.db2.gz UTTCABTVDHGOHX-LJQANCHMSA-N 0 3 311.429 3.048 20 30 DGEDHN CN(Cc1ccc(O[C@H]2CCOC2)cc1)Cc1cccc(C#N)c1 ZINC000596980201 400533140 /nfs/dbraw/zinc/53/31/40/400533140.db2.gz VSVMWODNNKJQGI-FQEVSTJZSA-N 0 3 322.408 3.358 20 30 DGEDHN CN(c1ncccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074775170 400534921 /nfs/dbraw/zinc/53/49/21/400534921.db2.gz WZUCTORAHHKFEN-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN CCN(CC)C(=O)CCC1CCN(CC2(CC#N)CC2)CC1 ZINC000602803846 400578927 /nfs/dbraw/zinc/57/89/27/400578927.db2.gz GRWURZYADOAVHG-UHFFFAOYSA-N 0 3 305.466 3.041 20 30 DGEDHN CC[C@H]1Oc2cc([C@H](C)NCC3(CC#N)CC3)ccc2NC1=O ZINC000602803934 400579024 /nfs/dbraw/zinc/57/90/24/400579024.db2.gz FJLWLGUJEZOLNM-SWLSCSKDSA-N 0 3 313.401 3.141 20 30 DGEDHN N#CC1(c2ccc(CN3CCC(c4c[nH]cn4)CC3)cc2)CC1 ZINC000597008456 400539192 /nfs/dbraw/zinc/53/91/92/400539192.db2.gz JZFLBUOCOPHUME-UHFFFAOYSA-N 0 3 306.413 3.344 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Cl)c[nH]1)C(C)C ZINC000046049197 400547327 /nfs/dbraw/zinc/54/73/27/400547327.db2.gz BKTVJSNPSRJQJN-HNNXBMFYSA-N 0 3 309.841 3.097 20 30 DGEDHN CC(C)(C)c1ccc(S(=O)(=O)CCNCCCCC#N)cc1 ZINC000591734467 400552554 /nfs/dbraw/zinc/55/25/54/400552554.db2.gz ALMCZJZXMDDGSU-UHFFFAOYSA-N 0 3 322.474 3.041 20 30 DGEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000591728231 400552833 /nfs/dbraw/zinc/55/28/33/400552833.db2.gz CCVYZJHQZQFECH-GJZGRUSLSA-N 0 3 316.836 3.199 20 30 DGEDHN CCOc1ccc(OCCN(C)Cc2cccc(C#N)c2)cc1 ZINC000046517879 400568221 /nfs/dbraw/zinc/56/82/21/400568221.db2.gz MKHCLTUWYSCKRV-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CC2(CCCC2)O1 ZINC000592195526 400622671 /nfs/dbraw/zinc/62/26/71/400622671.db2.gz SXAGVTXXINGBDM-INIZCTEOSA-N 0 3 306.450 3.120 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C)C2)c1 ZINC000076110595 400635199 /nfs/dbraw/zinc/63/51/99/400635199.db2.gz XSFZQRJSSNEEDJ-IRXDYDNUSA-N 0 3 313.445 3.138 20 30 DGEDHN Cc1cc(CN2CCC[C@H](c3ccnc(C)n3)C2)ccc1C#N ZINC000618593584 400637041 /nfs/dbraw/zinc/63/70/41/400637041.db2.gz MIENMCABEMIWHS-SFHVURJKSA-N 0 3 306.413 3.345 20 30 DGEDHN COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000618604277 400639809 /nfs/dbraw/zinc/63/98/09/400639809.db2.gz CAIGMPIPOMMPJV-KRWDZBQOSA-N 0 3 314.429 3.278 20 30 DGEDHN C=CCC1(NCc2cc(C(=O)OC)ccc2Cl)CCOCC1 ZINC000597208313 400588148 /nfs/dbraw/zinc/58/81/48/400588148.db2.gz ZMKNSKYMDOFGJC-UHFFFAOYSA-N 0 3 323.820 3.342 20 30 DGEDHN COc1cc(CN2CCC([C@@H]3CCCCO3)CC2)ccc1C#N ZINC000597226998 400592879 /nfs/dbraw/zinc/59/28/79/400592879.db2.gz ZBOMZZLJFLFTQU-SFHVURJKSA-N 0 3 314.429 3.348 20 30 DGEDHN C[C@@H](O)C1(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000597233994 400595080 /nfs/dbraw/zinc/59/50/80/400595080.db2.gz FKOSKJLKKLEBEQ-OAHLLOKOSA-N 0 3 322.408 3.140 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000592068442 400601419 /nfs/dbraw/zinc/60/14/19/400601419.db2.gz IVUCANSGMPQQTG-HNNXBMFYSA-N 0 3 300.446 3.119 20 30 DGEDHN C[C@H](CC#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000597277848 400605283 /nfs/dbraw/zinc/60/52/83/400605283.db2.gz IILANPZHFFOQBB-NUJGCVRESA-N 0 3 313.445 3.048 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(C#N)CCCCC1)C(C)C ZINC000076483503 400657825 /nfs/dbraw/zinc/65/78/25/400657825.db2.gz ZGHQCMJYWKBPBO-QGZVFWFLSA-N 0 3 317.477 3.275 20 30 DGEDHN COCc1cc(C#N)ccc1NC[C@H](c1cccs1)N(C)C ZINC000603272945 400662544 /nfs/dbraw/zinc/66/25/44/400662544.db2.gz FEOYRTUHUMMFRF-MRXNPFEDSA-N 0 3 315.442 3.481 20 30 DGEDHN C=C(C)CN1CCC(Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603294273 400665597 /nfs/dbraw/zinc/66/55/97/400665597.db2.gz ZZIYBGZIWPPRRX-UHFFFAOYSA-N 0 3 321.428 3.196 20 30 DGEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000603847463 400722576 /nfs/dbraw/zinc/72/25/76/400722576.db2.gz XPVNBQNFHYQREA-IXDOHACOSA-N 0 3 317.477 3.230 20 30 DGEDHN N#Cc1ccsc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593003129 400730323 /nfs/dbraw/zinc/73/03/23/400730323.db2.gz KPBMNCKRPAQQGT-VHSXEESVSA-N 0 3 318.320 3.306 20 30 DGEDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051057013 400695075 /nfs/dbraw/zinc/69/50/75/400695075.db2.gz SARLAQLOQXVBJH-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)CCN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000077211766 400695939 /nfs/dbraw/zinc/69/59/39/400695939.db2.gz TUJRFYNDAFRKQV-MRXNPFEDSA-N 0 3 301.434 3.300 20 30 DGEDHN CC[C@@H]1CCCCN1CCNc1c(C#N)nnc2ccccc21 ZINC000077224193 400697936 /nfs/dbraw/zinc/69/79/36/400697936.db2.gz KPWXPLAMVSCVHM-CQSZACIVSA-N 0 3 309.417 3.178 20 30 DGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nc(C(C)(C)C)ccc1C#N ZINC000613426981 400717622 /nfs/dbraw/zinc/71/76/22/400717622.db2.gz NOHAJVWHFSCJIN-CVEARBPZSA-N 0 3 312.461 3.314 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC(CCc2ccccc2)CC1 ZINC000054148536 400812042 /nfs/dbraw/zinc/81/20/42/400812042.db2.gz CUBVDPGPKVUFFM-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN CC[C@H](Cc1ccc(Br)cc1)NC(=O)C(C)C#N ZINC000598428155 400812152 /nfs/dbraw/zinc/81/21/52/400812152.db2.gz MKHVLWYFRBNRJC-ZWNOBZJWSA-N 0 3 309.207 3.046 20 30 DGEDHN CC(C#N)C(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000598231946 400767163 /nfs/dbraw/zinc/76/71/63/400767163.db2.gz VDZDNPAKGBNFII-SMDDNHRTSA-N 0 3 306.793 3.178 20 30 DGEDHN CCC(CC)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000604434768 400775898 /nfs/dbraw/zinc/77/58/98/400775898.db2.gz BLEFDJPAPCJODI-UHFFFAOYSA-N 0 3 305.466 3.324 20 30 DGEDHN CCN(CC)[C@@H](CNc1ncccc1C#N)c1cccc(OC)c1 ZINC000078261896 400782087 /nfs/dbraw/zinc/78/20/87/400782087.db2.gz IEUQOTYHQRFKNQ-SFHVURJKSA-N 0 3 324.428 3.457 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N(CCC2CC2)CC2CC2)cc1 ZINC000598467716 400819699 /nfs/dbraw/zinc/81/96/99/400819699.db2.gz PQYPATZCHGNUJU-IBGZPJMESA-N 0 3 321.424 3.279 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@H](c2cccs2)N(C)C)n1 ZINC000078379459 400795033 /nfs/dbraw/zinc/79/50/33/400795033.db2.gz KFRFGUOFGAYUQM-CQSZACIVSA-N 0 3 300.431 3.346 20 30 DGEDHN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593254488 400803411 /nfs/dbraw/zinc/80/34/11/400803411.db2.gz ANZXOJILZPWSCO-GVDBMIGSSA-N 0 3 309.413 3.181 20 30 DGEDHN C=CC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181308882 400887780 /nfs/dbraw/zinc/88/77/80/400887780.db2.gz CBBYTRXBQVMFGX-MRXNPFEDSA-N 0 3 315.461 3.115 20 30 DGEDHN N#Cc1cccc(CCNCc2cnc(-c3ccccc3)nc2)c1 ZINC000619599554 400872231 /nfs/dbraw/zinc/87/22/31/400872231.db2.gz FCYMHKIFWDLNJM-UHFFFAOYSA-N 0 3 314.392 3.348 20 30 DGEDHN N#C[C@H]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000619673128 400882203 /nfs/dbraw/zinc/88/22/03/400882203.db2.gz YBCQVQCQMSDLOX-FZMZJTMJSA-N 0 3 316.792 3.214 20 30 DGEDHN COc1cc(F)c(CNCCc2cccc(C#N)c2)cc1OC ZINC000593626341 400883673 /nfs/dbraw/zinc/88/36/73/400883673.db2.gz YAXLFNPDWIKWHJ-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN COc1cc(OC)c(CNCC2CCC(C#N)CC2)cc1F ZINC000593626333 400883949 /nfs/dbraw/zinc/88/39/49/400883949.db2.gz XFWXETNBUAWJHT-UHFFFAOYSA-N 0 3 306.381 3.262 20 30 DGEDHN C[C@@H]1SCCN(C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000598593245 400838624 /nfs/dbraw/zinc/83/86/24/400838624.db2.gz RELWQMJSOYWNCN-XIRDDKMYSA-N 0 3 318.486 3.466 20 30 DGEDHN Cc1csc(C2(NC[C@@H](O)CC(C)(C)C#N)CCCC2)n1 ZINC000598597775 400840725 /nfs/dbraw/zinc/84/07/25/400840725.db2.gz HVPDBFBOXZSRPT-ZDUSSCGKSA-N 0 3 307.463 3.111 20 30 DGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598600212 400841722 /nfs/dbraw/zinc/84/17/22/400841722.db2.gz IGHBKVRBWCPJQR-ZBFHGGJFSA-N 0 3 304.434 3.425 20 30 DGEDHN CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598615439 400843773 /nfs/dbraw/zinc/84/37/73/400843773.db2.gz AXDLTWFPUFJTPE-HOCLYGCPSA-N 0 3 304.434 3.379 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000598619045 400843804 /nfs/dbraw/zinc/84/38/04/400843804.db2.gz UXHGQBYPJNMARJ-GDBMZVCRSA-N 0 3 322.836 3.094 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000598620551 400846117 /nfs/dbraw/zinc/84/61/17/400846117.db2.gz CDCFWQXKSNETKS-JKSUJKDBSA-N 0 3 322.399 3.272 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCOc2c(Cl)cccc21 ZINC000598699459 400859863 /nfs/dbraw/zinc/85/98/63/400859863.db2.gz FBWIANIEIPFSEI-RISCZKNCSA-N 0 3 308.809 3.054 20 30 DGEDHN N#Cc1cccc(CNCCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000174602800 400860548 /nfs/dbraw/zinc/86/05/48/400860548.db2.gz NOWUKGNSEDTNHO-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000598724847 400866667 /nfs/dbraw/zinc/86/66/67/400866667.db2.gz RTFYPNOWBARFNB-WFASDCNBSA-N 0 3 322.836 3.444 20 30 DGEDHN C[C@H](NC[C@H]1CCCN1CC(F)F)c1ccc(C#N)c(F)c1 ZINC000599066594 400947135 /nfs/dbraw/zinc/94/71/35/400947135.db2.gz STXIFJVRXKCCKE-SMDDNHRTSA-N 0 3 311.351 3.077 20 30 DGEDHN C=CCNC(=O)CN[C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000181863404 400889876 /nfs/dbraw/zinc/88/98/76/400889876.db2.gz HGBHKRISKXYSNL-CQSZACIVSA-N 0 3 314.351 3.438 20 30 DGEDHN C[C@@H](CO)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000593677321 400889962 /nfs/dbraw/zinc/88/99/62/400889962.db2.gz YRURNRBOQBMKNS-INIZCTEOSA-N 0 3 316.445 3.210 20 30 DGEDHN CCOC(=O)CC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614397658 400892552 /nfs/dbraw/zinc/89/25/52/400892552.db2.gz MUNCNXMBMHSPBZ-UHFFFAOYSA-N 0 3 300.402 3.032 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1cccc(Cl)c1 ZINC000182590669 400894212 /nfs/dbraw/zinc/89/42/12/400894212.db2.gz DAYNXXKPVCMJFI-CZUORRHYSA-N 0 3 321.852 3.389 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000182890977 400898434 /nfs/dbraw/zinc/89/84/34/400898434.db2.gz WQJJOWOVXMNBHW-QAPCUYQASA-N 0 3 301.434 3.009 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000619756005 400899932 /nfs/dbraw/zinc/89/99/32/400899932.db2.gz ODWYHWYKJCYADU-GBESFXJTSA-N 0 3 323.440 3.069 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000183208882 400900006 /nfs/dbraw/zinc/90/00/06/400900006.db2.gz NPYODAQLQLMZBC-RBUKOAKNSA-N 0 3 315.461 3.336 20 30 DGEDHN CC[C@@H](C#N)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593749104 400904118 /nfs/dbraw/zinc/90/41/18/400904118.db2.gz PUMNGEOXKJSOAC-ROUUACIJSA-N 0 3 313.445 3.048 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599011142 400926652 /nfs/dbraw/zinc/92/66/52/400926652.db2.gz ZKLRXDZJEQFZIK-ZFWWWQNUSA-N 0 3 310.319 3.234 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599007380 400927026 /nfs/dbraw/zinc/92/70/26/400927026.db2.gz QAKREQFQOREKQS-SJLPKXTDSA-N 0 3 300.402 3.026 20 30 DGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccccc2)cc1 ZINC000198750151 400935543 /nfs/dbraw/zinc/93/55/43/400935543.db2.gz FICUDGFQMSVABK-AZUAARDMSA-N 0 3 322.408 3.135 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000594071938 400975026 /nfs/dbraw/zinc/97/50/26/400975026.db2.gz DEBVXTCHERHBQE-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN C#CCN1CCC(C(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000057155932 400976926 /nfs/dbraw/zinc/97/69/26/400976926.db2.gz HKDNGWOZQAGQER-UHFFFAOYSA-N 0 3 324.468 3.174 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000594424472 401061971 /nfs/dbraw/zinc/06/19/71/401061971.db2.gz FBAFUNISJAYVIM-JTQLQIEISA-N 0 3 320.443 3.221 20 30 DGEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000594429865 401066033 /nfs/dbraw/zinc/06/60/33/401066033.db2.gz XLTDBPXJSOFEIN-CZUORRHYSA-N 0 3 305.397 3.146 20 30 DGEDHN C=CCCCCN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599556655 401076458 /nfs/dbraw/zinc/07/64/58/401076458.db2.gz PPVKSIGTDYTULD-UHFFFAOYSA-N 0 3 308.447 3.465 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599339074 401025377 /nfs/dbraw/zinc/02/53/77/401025377.db2.gz FKNAANUDPPGLTJ-INIZCTEOSA-N 0 3 314.429 3.422 20 30 DGEDHN C=C(C)[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599367922 401035479 /nfs/dbraw/zinc/03/54/79/401035479.db2.gz OONOITAGFHFNPD-XJKSGUPXSA-N 0 3 306.356 3.226 20 30 DGEDHN Cc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1C#N ZINC000599428025 401047564 /nfs/dbraw/zinc/04/75/64/401047564.db2.gz GTDIGUMPQVRCSN-FQEVSTJZSA-N 0 3 306.409 3.003 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1cc(C)ccc1C ZINC000599645529 401101468 /nfs/dbraw/zinc/10/14/68/401101468.db2.gz PHENIUYWUBMQAM-WBVHZDCISA-N 0 3 313.445 3.295 20 30 DGEDHN N#CCc1cccc2c1CCN(CCCCCn1cccn1)C2 ZINC000599679633 401112401 /nfs/dbraw/zinc/11/24/01/401112401.db2.gz WBRSWSAWPOXDNQ-UHFFFAOYSA-N 0 3 308.429 3.178 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](CC)Cc1ccccc1 ZINC000607751389 401117519 /nfs/dbraw/zinc/11/75/19/401117519.db2.gz RWQHTYMZZNTSPP-GOSISDBHSA-N 0 3 300.446 3.140 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2Cl)CC1 ZINC000594599486 401123848 /nfs/dbraw/zinc/12/38/48/401123848.db2.gz KFSGTIGTOGWMCW-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000594511666 401089201 /nfs/dbraw/zinc/08/92/01/401089201.db2.gz GGQNLWDHQIWBJW-NWDGAFQWSA-N 0 3 306.381 3.326 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1cccc(C)c1)C(C)C ZINC000599627403 401095656 /nfs/dbraw/zinc/09/56/56/401095656.db2.gz MAVFYMBJNLYDOH-SFHVURJKSA-N 0 3 301.434 3.044 20 30 DGEDHN CC1CCC(N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000061799114 401165094 /nfs/dbraw/zinc/16/50/94/401165094.db2.gz ZKYUUNVMACVACC-UHFFFAOYSA-N 0 3 305.466 3.182 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ncco2)CC1 ZINC000600070714 401174381 /nfs/dbraw/zinc/17/43/81/401174381.db2.gz CRWRISMHCYGIEW-KRWDZBQOSA-N 0 3 323.396 3.153 20 30 DGEDHN N#Cc1ccc(CCNCc2cccc3c2OCCCO3)cc1 ZINC000594954406 401205298 /nfs/dbraw/zinc/20/52/98/401205298.db2.gz GCMGVVDQNQOUSX-UHFFFAOYSA-N 0 3 308.381 3.052 20 30 DGEDHN CO[C@@](C)(CNCc1ccc(C#N)cc1)COCc1ccccc1 ZINC000594975315 401215546 /nfs/dbraw/zinc/21/55/46/401215546.db2.gz QQQFQKAVXZTFGK-FQEVSTJZSA-N 0 3 324.424 3.270 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCCCC1 ZINC000065931355 401286335 /nfs/dbraw/zinc/28/63/35/401286335.db2.gz NYMIXCFUXIWNIA-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN C=CCC1(NCc2cc(=O)n3c(C)csc3n2)CCCCC1 ZINC000625935682 401258979 /nfs/dbraw/zinc/25/89/79/401258979.db2.gz ISCRCGISICGYIY-UHFFFAOYSA-N 0 3 317.458 3.433 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C(F)F)ccc2F)CC1 ZINC000621858759 401308801 /nfs/dbraw/zinc/30/88/01/401308801.db2.gz CHXLVILNTBXGNR-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](CC)COC)cc1OC ZINC000623426893 401515050 /nfs/dbraw/zinc/51/50/50/401515050.db2.gz CWCPBGXFIWTYCI-CYBMUJFWSA-N 0 3 313.825 3.428 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](C)C[C@H](C)O)cc1OC ZINC000623488736 401529968 /nfs/dbraw/zinc/52/99/68/401529968.db2.gz BJEQICZPLNBLQQ-NEPJUHHUSA-N 0 3 313.825 3.162 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)[C@H](CC)CO)cc1OC ZINC000628296969 401569822 /nfs/dbraw/zinc/56/98/22/401569822.db2.gz FEDACIAHUJLNAU-CYBMUJFWSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCC1(NCc2cn(-c3ccc(F)cc3)nn2)CCCC1 ZINC000623571187 401548725 /nfs/dbraw/zinc/54/87/25/401548725.db2.gz OUVPQROPNLZSCJ-UHFFFAOYSA-N 0 3 300.381 3.385 20 30 DGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CC(C)(C)C#N ZINC000278592058 292354651 /nfs/dbraw/zinc/35/46/51/292354651.db2.gz UEKQJZVGYKTRGL-RDJZCZTQSA-N 0 3 311.429 3.069 20 30 DGEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000122276549 287014626 /nfs/dbraw/zinc/01/46/26/287014626.db2.gz BHSHEULIQWEURK-MRXNPFEDSA-N 0 3 307.397 3.284 20 30 DGEDHN CN(C)c1cccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 ZINC000191380959 165246814 /nfs/dbraw/zinc/24/68/14/165246814.db2.gz QDOZWHRYWGCAPW-IBGZPJMESA-N 0 3 308.429 3.300 20 30 DGEDHN C=CCN1CCC(NC(=O)NC2CCC(CCC)CC2)CC1 ZINC000171723126 432165629 /nfs/dbraw/zinc/16/56/29/432165629.db2.gz LWLZKENLNAGNKX-UHFFFAOYSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000171739498 432166153 /nfs/dbraw/zinc/16/61/53/432166153.db2.gz SQHKAFDZSPUKNP-AWEZNQCLSA-N 0 3 319.424 3.179 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000171738823 432166700 /nfs/dbraw/zinc/16/67/00/432166700.db2.gz HWHZEBMNCBZCEM-OAHLLOKOSA-N 0 3 301.434 3.039 20 30 DGEDHN N#Cc1cc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1F ZINC000246940931 432182541 /nfs/dbraw/zinc/18/25/41/432182541.db2.gz UDYLFWKVAUCAEY-HNAYVOBHSA-N 0 3 313.420 3.146 20 30 DGEDHN COc1ccc(O[C@@H](C)CNCc2ccc(C#N)cc2F)cc1 ZINC000269425881 432173369 /nfs/dbraw/zinc/17/33/69/432173369.db2.gz NPWYQXWATYPOGP-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN COc1cc(C)c([C@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000190765442 432186298 /nfs/dbraw/zinc/18/62/98/432186298.db2.gz BYYGYGCHFLSWTG-ZDUSSCGKSA-N 0 3 313.401 3.073 20 30 DGEDHN C[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000269621749 432190098 /nfs/dbraw/zinc/19/00/98/432190098.db2.gz NPZCIGDSIMNNAL-RDTXWAMCSA-N 0 3 311.429 3.142 20 30 DGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000150891081 432199641 /nfs/dbraw/zinc/19/96/41/432199641.db2.gz FDMLUEKTWFZGPU-INIZCTEOSA-N 0 3 305.466 3.396 20 30 DGEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCOc1ccccc1C#N ZINC000130589340 196093622 /nfs/dbraw/zinc/09/36/22/196093622.db2.gz INASHACNXIZJHV-MRXNPFEDSA-N 0 3 310.401 3.114 20 30 DGEDHN CC(=O)Nc1cccc([C@@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000182553955 432203202 /nfs/dbraw/zinc/20/32/02/432203202.db2.gz PVGKKJWMKOFWAL-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN COCCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000130783280 196109670 /nfs/dbraw/zinc/10/96/70/196109670.db2.gz CLUBFEGPTSIZLH-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000182698050 432219445 /nfs/dbraw/zinc/21/94/45/432219445.db2.gz XMXNUKYVYQGRIO-ZWKOTPCHSA-N 0 3 314.335 3.456 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348265485 287383303 /nfs/dbraw/zinc/38/33/03/287383303.db2.gz DYUMVRLOGFTNRY-RKVPGOIHSA-N 0 3 309.413 3.278 20 30 DGEDHN CN(C)[C@H](CNC1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000158446818 228238077 /nfs/dbraw/zinc/23/80/77/228238077.db2.gz SQPMNIAHJSNSEN-TVRKMHQQSA-N 0 3 309.413 3.096 20 30 DGEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1OC(C)C ZINC000330893943 229008690 /nfs/dbraw/zinc/00/86/90/229008690.db2.gz FCCUUHXSUSLFST-DZGCQCFKSA-N 0 3 320.433 3.270 20 30 DGEDHN Cc1nc(C)c(NC(=O)NCC(C)(C)N2CCCCC2)s1 ZINC000330934671 229010065 /nfs/dbraw/zinc/01/00/65/229010065.db2.gz JVAIYFZZOKASKP-UHFFFAOYSA-N 0 3 310.467 3.350 20 30 DGEDHN COc1ccccc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000299348609 229065811 /nfs/dbraw/zinc/06/58/11/229065811.db2.gz JKEZZCQYYWUDPQ-UHFFFAOYSA-N 0 3 321.424 3.325 20 30 DGEDHN N#CCCCCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000339067272 229072976 /nfs/dbraw/zinc/07/29/76/229072976.db2.gz LKTHFCXQHCNWJS-UHFFFAOYSA-N 0 3 324.215 3.358 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC(C)(C)C ZINC000339257781 229077902 /nfs/dbraw/zinc/07/79/02/229077902.db2.gz GBIZUPPLYWLVNC-CQSZACIVSA-N 0 3 319.424 3.439 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C2CC2)C1 ZINC000344020705 229133814 /nfs/dbraw/zinc/13/38/14/229133814.db2.gz PADGSVWOIZDFHD-VOLNDZDFSA-N 0 3 317.477 3.038 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccn(C)c2C2CCC2)nc(C)n1 ZINC000344731705 229144357 /nfs/dbraw/zinc/14/43/57/229144357.db2.gz PUNFPHFKDSSZIU-HNNXBMFYSA-N 0 3 308.385 3.190 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(OCc2ccccc2F)cc1 ZINC000344852080 229145723 /nfs/dbraw/zinc/14/57/23/229145723.db2.gz IJJXIARWLNCEDK-CYBMUJFWSA-N 0 3 312.344 3.181 20 30 DGEDHN N#CCc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000346184901 229165826 /nfs/dbraw/zinc/16/58/26/229165826.db2.gz GESDGLPJKBQIBA-INIZCTEOSA-N 0 3 308.385 3.003 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C(C)(C)C)CC1 ZINC000346256248 229167376 /nfs/dbraw/zinc/16/73/76/229167376.db2.gz YCXGAIBMMJRGKI-CABCVRRESA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000347078847 229181941 /nfs/dbraw/zinc/18/19/41/229181941.db2.gz VLRDXSDAPALJLN-OAHLLOKOSA-N 0 3 308.381 3.179 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC23CCCC3)cc1 ZINC000348511002 229203492 /nfs/dbraw/zinc/20/34/92/229203492.db2.gz RIECFEBLHMYNOI-IAGOWNOFSA-N 0 3 307.397 3.080 20 30 DGEDHN Cc1cc(Br)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354475117 229295620 /nfs/dbraw/zinc/29/56/20/229295620.db2.gz XZGXHNFUEQYUGY-GFCCVEGCSA-N 0 3 316.158 3.038 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)cc(C)c1OC(F)F ZINC000354472746 229296410 /nfs/dbraw/zinc/29/64/10/229296410.db2.gz PPGCVLJBHCDITC-GFCCVEGCSA-N 0 3 317.295 3.185 20 30 DGEDHN Cc1cc(C)c(C(=O)C(C#N)c2nc(C(C)C)cs2)c(=O)[nH]1 ZINC000354219539 229290866 /nfs/dbraw/zinc/29/08/66/229290866.db2.gz NMODZBKKLNGCIN-NSHDSACASA-N 0 3 315.398 3.474 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000357840144 229353986 /nfs/dbraw/zinc/35/39/86/229353986.db2.gz USHRGLAXUYWBQG-SNVBAGLBSA-N 0 3 311.366 3.332 20 30 DGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC(C)(C)C#N)N(C)C ZINC000357863481 229355086 /nfs/dbraw/zinc/35/50/86/229355086.db2.gz YOWMJFPBNJFKFX-PBHICJAKSA-N 0 3 301.434 3.042 20 30 DGEDHN Cc1ccccc1CN1CCC(Nc2ncc(C#N)cc2F)CC1 ZINC000413084092 230128344 /nfs/dbraw/zinc/12/83/44/230128344.db2.gz UFTVSPOFORKZGE-UHFFFAOYSA-N 0 3 324.403 3.477 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc(C#N)cc1F ZINC000413162025 230142664 /nfs/dbraw/zinc/14/26/64/230142664.db2.gz ZQTDEESVZMLRSS-OAHLLOKOSA-N 0 3 324.403 3.193 20 30 DGEDHN CCc1nnc(N[C@H](C)CN2CCCCCC2)c(C#N)c1CC ZINC000302442588 230247625 /nfs/dbraw/zinc/24/76/25/230247625.db2.gz RMNARXZGWVLDFM-CQSZACIVSA-N 0 3 315.465 3.149 20 30 DGEDHN COc1cccc([C@H](CNCc2ccc(C#N)s2)OC)c1 ZINC000527733643 269795243 /nfs/dbraw/zinc/79/52/43/269795243.db2.gz DCEXXOVEUBVRNB-INIZCTEOSA-N 0 3 302.399 3.106 20 30 DGEDHN C[C@H]1CN(c2cccc(C#N)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000346678339 264078719 /nfs/dbraw/zinc/07/87/19/264078719.db2.gz XJNNPNOZOURTFS-HOTGVXAUSA-N 0 3 306.413 3.052 20 30 DGEDHN C[C@H](NCc1ccc(Br)cc1C#N)[C@@H]1CCCOC1 ZINC000347255946 264184645 /nfs/dbraw/zinc/18/46/45/264184645.db2.gz VTHPDTBEMAUEJG-WCQYABFASA-N 0 3 323.234 3.225 20 30 DGEDHN COC(=O)C[C@@H](NCc1cccc(C#N)c1F)C1CCCCC1 ZINC000347969202 264316520 /nfs/dbraw/zinc/31/65/20/264316520.db2.gz VOUVVKSMBKTIQK-MRXNPFEDSA-N 0 3 318.392 3.299 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3)CC2)s1 ZINC000127317989 270003575 /nfs/dbraw/zinc/00/35/75/270003575.db2.gz RZEOWICXRXYRPO-UHFFFAOYSA-N 0 3 311.454 3.328 20 30 DGEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(C#N)s1)c1ccco1 ZINC000359548072 270004302 /nfs/dbraw/zinc/00/43/02/270004302.db2.gz SYYFNGHNSMUBJM-AAEUAGOBSA-N 0 3 317.414 3.072 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@]2(CO)Cc2ccccc2)cc1F ZINC000361842791 270004689 /nfs/dbraw/zinc/00/46/89/270004689.db2.gz MYFYBWDCYMMTLP-HXUWFJFHSA-N 0 3 324.399 3.267 20 30 DGEDHN C[C@H]1CSC[C@H]1NCc1cc(C#N)ccc1Br ZINC000352791910 265169777 /nfs/dbraw/zinc/16/97/77/265169777.db2.gz JUJXPYYFPKXCHM-TVQRCGJNSA-N 0 3 311.248 3.162 20 30 DGEDHN N#Cc1csc(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000352810382 265177365 /nfs/dbraw/zinc/17/73/65/265177365.db2.gz MRRUYDCWNIJTBL-GXSJLCMTSA-N 0 3 303.353 3.473 20 30 DGEDHN CCCN(CCN1CCCC1)Cc1cn2ccccc2c1C#N ZINC000352884165 265212996 /nfs/dbraw/zinc/21/29/96/265212996.db2.gz LQQOAGNVZZMMRN-UHFFFAOYSA-N 0 3 310.445 3.119 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000351966577 266033154 /nfs/dbraw/zinc/03/31/54/266033154.db2.gz ZVPSGASGAORNDF-INIZCTEOSA-N 0 3 317.408 3.082 20 30 DGEDHN CCN(Cc1cccc(OCc2ccccc2C#N)c1)[C@H](C)CO ZINC000354417733 266136076 /nfs/dbraw/zinc/13/60/76/266136076.db2.gz FYNSGHVJCLFJJJ-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN CCN(Cc1ccc2c(c1)nnn2C)[C@H](C)c1ccc(C#N)cc1 ZINC000351608296 266136130 /nfs/dbraw/zinc/13/61/30/266136130.db2.gz PGKHMHLPWGASDC-CQSZACIVSA-N 0 3 319.412 3.423 20 30 DGEDHN CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H](C)O ZINC000348711143 266136227 /nfs/dbraw/zinc/13/62/27/266136227.db2.gz FPDPUOMZSUSRNZ-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN CCN(Cc1ccccc1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000357323233 266137470 /nfs/dbraw/zinc/13/74/70/266137470.db2.gz LDOPRKJZIPYJNE-LJQANCHMSA-N 0 3 324.424 3.129 20 30 DGEDHN C[C@@H]1CCCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000360594547 267011065 /nfs/dbraw/zinc/01/10/65/267011065.db2.gz AZOYHNGCAUYTOR-CRAIPNDOSA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 ZINC000362995838 267028772 /nfs/dbraw/zinc/02/87/72/267028772.db2.gz FDYNFSDVPPTUON-HZSPNIEDSA-N 0 3 317.458 3.097 20 30 DGEDHN C[C@@H]1C[C@H](C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978106 267086716 /nfs/dbraw/zinc/08/67/16/267086716.db2.gz MRASCLXFAWXYDO-DAYGRLMNSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@H](NCCc1c[nH]c2ncccc12)c1ccc(C#N)cc1F ZINC000358578693 267183826 /nfs/dbraw/zinc/18/38/26/267183826.db2.gz WERKAZSRIBBESN-LBPRGKRZSA-N 0 3 308.360 3.467 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000371730673 267207619 /nfs/dbraw/zinc/20/76/19/267207619.db2.gz XWYZJXRPJAMNEG-CRAIPNDOSA-N 0 3 311.429 3.096 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](OCc2ccncc2)C1 ZINC000373912923 267208327 /nfs/dbraw/zinc/20/83/27/267208327.db2.gz PVSWLONUNVJEFO-BEFAXECRSA-N 0 3 307.397 3.305 20 30 DGEDHN CC[C@H]1CN(c2ccc(C#N)c(C)n2)CCN1Cc1ccccc1 ZINC000487753358 267232748 /nfs/dbraw/zinc/23/27/48/267232748.db2.gz UGYLPEHDUXFAJF-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352797633 267262345 /nfs/dbraw/zinc/26/23/45/267262345.db2.gz MFDCIISPKFKMIS-LSDHHAIUSA-N 0 3 312.335 3.218 20 30 DGEDHN Cc1cc(CNCc2ccccc2Cn2ccnc2)ccc1C#N ZINC000348191048 267326363 /nfs/dbraw/zinc/32/63/63/267326363.db2.gz FJNZXKCJNHSUCL-UHFFFAOYSA-N 0 3 316.408 3.401 20 30 DGEDHN COc1cc(CNCCO[C@@H]2CCCC[C@@H]2C)ccc1C#N ZINC000440811512 267593858 /nfs/dbraw/zinc/59/38/58/267593858.db2.gz YJHTXINSIAUCLM-WMLDXEAASA-N 0 3 302.418 3.252 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000191237676 432239569 /nfs/dbraw/zinc/23/95/69/432239569.db2.gz CVIGBGDXVYVMOT-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN N#Cc1ccc(C2=CCN(Cc3c[nH]c4nccnc34)CC2)cc1 ZINC000368216139 268055463 /nfs/dbraw/zinc/05/54/63/268055463.db2.gz QPPSVCXMNCDPIN-UHFFFAOYSA-N 0 3 315.380 3.070 20 30 DGEDHN N#Cc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000378586732 268064906 /nfs/dbraw/zinc/06/49/06/268064906.db2.gz HCDTYYBBINNAGU-UHFFFAOYSA-N 0 3 300.793 3.245 20 30 DGEDHN N#Cc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)s1 ZINC000362072116 268072165 /nfs/dbraw/zinc/07/21/65/268072165.db2.gz KRFVYOHQIJMSRP-UHFFFAOYSA-N 0 3 322.437 3.250 20 30 DGEDHN Cn1ncc2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cc21 ZINC000516944051 268135448 /nfs/dbraw/zinc/13/54/48/268135448.db2.gz PSIUOPMWYACIQL-GOSISDBHSA-N 0 3 302.381 3.222 20 30 DGEDHN N#Cc1c(NC[C@@H]2CCCCN2C2CC2)cccc1-n1cccn1 ZINC000515869842 268166721 /nfs/dbraw/zinc/16/67/21/268166721.db2.gz NHKMPDDYEDZKAD-INIZCTEOSA-N 0 3 321.428 3.173 20 30 DGEDHN COCCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151375824 432240894 /nfs/dbraw/zinc/24/08/94/432240894.db2.gz QVQMIJYYWAGFNP-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN C[C@@H](CC(=O)Nc1ccc(F)cc1)NCc1cccc(C#N)c1 ZINC000151370799 432241150 /nfs/dbraw/zinc/24/11/50/432241150.db2.gz SHKHARGXWYJXRT-ZDUSSCGKSA-N 0 3 311.360 3.204 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000270418677 432244810 /nfs/dbraw/zinc/24/48/10/432244810.db2.gz KILNLAKXUPOBJZ-PKOBYXMFSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191309731 432248035 /nfs/dbraw/zinc/24/80/35/432248035.db2.gz CJDJYBMCGIWZKX-UHFFFAOYSA-N 0 3 320.384 3.035 20 30 DGEDHN CC(C)CN1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301152712 273513276 /nfs/dbraw/zinc/51/32/76/273513276.db2.gz DUXSWCSUTOWSPA-UHFFFAOYSA-N 0 3 311.351 3.355 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@H]2CCCO[C@H]21 ZINC000451474219 273593286 /nfs/dbraw/zinc/59/32/86/273593286.db2.gz AHSYBYYMLRAQPE-BRWVUGGUSA-N 0 3 303.833 3.485 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1cccs1 ZINC000036774346 273805630 /nfs/dbraw/zinc/80/56/30/273805630.db2.gz WJUXRCZEYURAJJ-AWEZNQCLSA-N 0 3 316.386 3.243 20 30 DGEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1cccc(F)c1 ZINC000338356532 273815290 /nfs/dbraw/zinc/81/52/90/273815290.db2.gz KUCMPIFHQRTCCJ-GOSISDBHSA-N 0 3 324.403 3.296 20 30 DGEDHN C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000299719349 274259344 /nfs/dbraw/zinc/25/93/44/274259344.db2.gz RZSROSLUFPYONC-FZKQIMNGSA-N 0 3 305.381 3.162 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000266276336 274688180 /nfs/dbraw/zinc/68/81/80/274688180.db2.gz SDUBZCDYSGOAFA-QGZVFWFLSA-N 0 3 318.424 3.174 20 30 DGEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@H]2C1 ZINC000451699082 275054473 /nfs/dbraw/zinc/05/44/73/275054473.db2.gz KPRDYTZUTVXPGF-XYJFISCASA-N 0 3 303.833 3.174 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000173160780 275427637 /nfs/dbraw/zinc/42/76/37/275427637.db2.gz DZUMJXIVQKVJCL-PZJWPPBQSA-N 0 3 324.468 3.047 20 30 DGEDHN C=CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000280651208 275742927 /nfs/dbraw/zinc/74/29/27/275742927.db2.gz NTIOKYBPFAIYTQ-AWEZNQCLSA-N 0 3 307.463 3.150 20 30 DGEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000301471371 276827832 /nfs/dbraw/zinc/82/78/32/276827832.db2.gz JVUFPDCGTPDEGT-HNNXBMFYSA-N 0 3 300.793 3.321 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000495796718 277194017 /nfs/dbraw/zinc/19/40/17/277194017.db2.gz XVPCWFHZLYLTNO-RKVPGOIHSA-N 0 3 319.449 3.012 20 30 DGEDHN COC(=O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]1C(C)C ZINC000429364010 277393333 /nfs/dbraw/zinc/39/33/33/277393333.db2.gz RNQHGKVROXBUJI-IRXDYDNUSA-N 0 3 319.832 3.211 20 30 DGEDHN C[C@H](CC(=O)Nc1ccccc1)NCc1ccc(OCC#N)cc1 ZINC000177305178 533690519 /nfs/dbraw/zinc/69/05/19/533690519.db2.gz LSBBRZQRMUOEFA-OAHLLOKOSA-N 0 3 323.396 3.096 20 30 DGEDHN CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC(C)(C)C#N)cc1 ZINC000418364084 278049462 /nfs/dbraw/zinc/04/94/62/278049462.db2.gz WFFLBONNWHXRSM-MRXNPFEDSA-N 0 3 316.449 3.001 20 30 DGEDHN CS[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1N1CCCC1 ZINC000445596634 278156676 /nfs/dbraw/zinc/15/66/76/278156676.db2.gz NORPNNCVZXBMCP-HZPDHXFCSA-N 0 3 321.877 3.228 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000068456921 431127703 /nfs/dbraw/zinc/12/77/03/431127703.db2.gz KAEBXCZEQYCWAR-CYBMUJFWSA-N 0 3 314.216 3.014 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CSCCN(C)C ZINC000109119343 431171003 /nfs/dbraw/zinc/17/10/03/431171003.db2.gz SKIAGTGTGQXTGE-UHFFFAOYSA-N 0 3 310.488 3.198 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000111259529 431202669 /nfs/dbraw/zinc/20/26/69/431202669.db2.gz PBVUTBLYALDBHJ-HUUCEWRRSA-N 0 3 316.445 3.159 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000111260177 431203968 /nfs/dbraw/zinc/20/39/68/431203968.db2.gz DXOHCFUHMBDMMG-AWEZNQCLSA-N 0 3 304.409 3.243 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CCC1 ZINC000111296517 431207927 /nfs/dbraw/zinc/20/79/27/431207927.db2.gz QEXHYNGHJLBEOE-CQSZACIVSA-N 0 3 317.408 3.193 20 30 DGEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)N(C)CCC#N ZINC000070788646 431258178 /nfs/dbraw/zinc/25/81/78/431258178.db2.gz JKYFVKPYKCVXIE-GJZGRUSLSA-N 0 3 309.413 3.251 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1sccc1C#N)C(C)C ZINC000112919812 431315700 /nfs/dbraw/zinc/31/57/00/431315700.db2.gz MXCZQIIVWBUICP-OAHLLOKOSA-N 0 3 317.458 3.048 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H](c2ccco2)N(C)C)cc1 ZINC000113313161 431342121 /nfs/dbraw/zinc/34/21/21/431342121.db2.gz DWSAALGJGJHNHK-GOSISDBHSA-N 0 3 312.413 3.074 20 30 DGEDHN CCOc1ccc(C#N)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000073054609 431362262 /nfs/dbraw/zinc/36/22/62/431362262.db2.gz GTWMQIDVQVYCDP-UHFFFAOYSA-N 0 3 323.396 3.271 20 30 DGEDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1ccccc1C#N ZINC000074022131 431394929 /nfs/dbraw/zinc/39/49/29/431394929.db2.gz WXQQENAYLTXEHO-SFHVURJKSA-N 0 3 322.412 3.062 20 30 DGEDHN CC(C)[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000115596841 431464471 /nfs/dbraw/zinc/46/44/71/431464471.db2.gz FABBWWRQAVFQDZ-MOPGFXCFSA-N 0 3 321.424 3.114 20 30 DGEDHN CC(C)[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000115596847 431464861 /nfs/dbraw/zinc/46/48/61/431464861.db2.gz FABBWWRQAVFQDZ-RBUKOAKNSA-N 0 3 321.424 3.114 20 30 DGEDHN CN(C)[C@@H](CNCc1cccc(C#N)c1)c1c(F)cccc1F ZINC000115623270 431465915 /nfs/dbraw/zinc/46/59/15/431465915.db2.gz FUJDCAQKFWHWJX-KRWDZBQOSA-N 0 3 315.367 3.229 20 30 DGEDHN COc1cc(CNCc2cccc(C#N)c2)ccc1OC(F)F ZINC000011094598 431471425 /nfs/dbraw/zinc/47/14/25/431471425.db2.gz SNXKHHVGYZYKTQ-UHFFFAOYSA-N 0 3 318.323 3.458 20 30 DGEDHN C=CC[C@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000116937762 431538321 /nfs/dbraw/zinc/53/83/21/431538321.db2.gz BWIQSUZJESBLRM-HNNXBMFYSA-N 0 3 315.461 3.087 20 30 DGEDHN CCCCNC(=O)[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395377 431604776 /nfs/dbraw/zinc/60/47/76/431604776.db2.gz MFHBHTSRQROVIB-YJBOKZPZSA-N 0 3 313.445 3.248 20 30 DGEDHN CCn1cnnc1[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396153 431602354 /nfs/dbraw/zinc/60/23/54/431602354.db2.gz LITIRQVSZZIJSB-YOEHRIQHSA-N 0 3 309.417 3.110 20 30 DGEDHN CC(C)C(=O)NC[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396578 431602420 /nfs/dbraw/zinc/60/24/20/431602420.db2.gz RMTHRZMFWUXCFQ-DOTOQJQBSA-N 0 3 313.445 3.103 20 30 DGEDHN CCCC(=O)NC[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396603 431603597 /nfs/dbraw/zinc/60/35/97/431603597.db2.gz VPTXVXKLFOJCRE-RDJZCZTQSA-N 0 3 313.445 3.248 20 30 DGEDHN CCN1C[C@H](CN(C)Cc2cccc(C#N)c2)Oc2ccccc21 ZINC000016423771 431612163 /nfs/dbraw/zinc/61/21/63/431612163.db2.gz RDLIGWFKKCQCJV-SFHVURJKSA-N 0 3 321.424 3.278 20 30 DGEDHN CC(C)n1cnnc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000118859828 431623764 /nfs/dbraw/zinc/62/37/64/431623764.db2.gz XPDGMJPOZBYBID-KRWDZBQOSA-N 0 3 309.417 3.110 20 30 DGEDHN Cc1cc(CN[C@H](C)c2ccc(NC(N)=O)cc2)ccc1C#N ZINC000443999443 280495844 /nfs/dbraw/zinc/49/58/44/280495844.db2.gz UAUIKVKGDDJEBC-CYBMUJFWSA-N 0 3 308.385 3.208 20 30 DGEDHN Cc1ccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c(C)c1 ZINC000027207952 431685244 /nfs/dbraw/zinc/68/52/44/431685244.db2.gz LBYPFQQJWOTPOF-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN CC(C)(C#N)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000119937402 431719863 /nfs/dbraw/zinc/71/98/63/431719863.db2.gz GTCPDTBTWXEISU-MRXNPFEDSA-N 0 3 302.418 3.313 20 30 DGEDHN CC(C)(C#N)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000119937402 431719868 /nfs/dbraw/zinc/71/98/68/431719868.db2.gz GTCPDTBTWXEISU-MRXNPFEDSA-N 0 3 302.418 3.313 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1cccc(C#N)c1 ZINC000122088207 431812693 /nfs/dbraw/zinc/81/26/93/431812693.db2.gz GSHUMOZLYKVZGL-JKSUJKDBSA-N 0 3 315.417 3.094 20 30 DGEDHN N#CCSCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000080626615 431772290 /nfs/dbraw/zinc/77/22/90/431772290.db2.gz LENLMIFGBZPAIY-UHFFFAOYSA-N 0 3 309.866 3.109 20 30 DGEDHN COc1ccc(F)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122976821 431850475 /nfs/dbraw/zinc/85/04/75/431850475.db2.gz CKTVOAAZDUAEHS-ZDUSSCGKSA-N 0 3 323.327 3.211 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000123082573 431854264 /nfs/dbraw/zinc/85/42/64/431854264.db2.gz BSUAUODRGWZFJG-IKGGRYGDSA-N 0 3 313.445 3.300 20 30 DGEDHN CCc1cc(NCCCc2[nH]nc(N)c2C#N)c2ccccc2n1 ZINC000123093570 431855461 /nfs/dbraw/zinc/85/54/61/431855461.db2.gz GBUGWSDHUWIHNF-UHFFFAOYSA-N 0 3 320.400 3.019 20 30 DGEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2ccccn2)cn1 ZINC000123572357 431868286 /nfs/dbraw/zinc/86/82/86/431868286.db2.gz IGMMBQRGMWGANK-OAHLLOKOSA-N 0 3 308.385 3.203 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(CC)o2)CC1 ZINC000124893825 431907548 /nfs/dbraw/zinc/90/75/48/431907548.db2.gz GINVJTJKNGPMFQ-BQYQJAHWSA-N 0 3 302.418 3.012 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1C(C)C ZINC000092693715 431910753 /nfs/dbraw/zinc/91/07/53/431910753.db2.gz SRCTWCIKLCBBFK-LBPRGKRZSA-N 0 3 307.357 3.139 20 30 DGEDHN CCN(Cc1ccc(N(C)CCC#N)cc1)Cc1ccccn1 ZINC000093338858 431913908 /nfs/dbraw/zinc/91/39/08/431913908.db2.gz LBEGESXXFBXMHO-UHFFFAOYSA-N 0 3 308.429 3.454 20 30 DGEDHN C=CCc1cc(CN2CCC[C@H](COCC)C2)cc(OC)c1O ZINC000093419098 431914524 /nfs/dbraw/zinc/91/45/24/431914524.db2.gz YUCCNBUFMMTYLI-HNNXBMFYSA-N 0 3 319.445 3.378 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000093512788 431915132 /nfs/dbraw/zinc/91/51/32/431915132.db2.gz ORMVQFWTYHMOGL-UHFFFAOYSA-N 0 3 320.868 3.183 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000093505844 431915916 /nfs/dbraw/zinc/91/59/16/431915916.db2.gz MIRKXQQAESFIJS-IEBWSBKVSA-N 0 3 314.429 3.370 20 30 DGEDHN CC[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCS1 ZINC000093502298 431915928 /nfs/dbraw/zinc/91/59/28/431915928.db2.gz DATSOMRHEJWOLY-KRWDZBQOSA-N 0 3 303.475 3.364 20 30 DGEDHN CC[C@@H](O)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000124235250 431887419 /nfs/dbraw/zinc/88/74/19/431887419.db2.gz IVDIXJAZIBWYBS-LJQANCHMSA-N 0 3 324.424 3.388 20 30 DGEDHN CC[C@H](O)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000124269069 431888013 /nfs/dbraw/zinc/88/80/13/431888013.db2.gz MDAGKPTZEOVQNP-IBGZPJMESA-N 0 3 324.424 3.388 20 30 DGEDHN CCN(CC)C(=O)C[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000090664495 431894161 /nfs/dbraw/zinc/89/41/61/431894161.db2.gz OWFBPOCSEVPAQS-WBVHZDCISA-N 0 3 301.434 3.268 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000124787050 431904322 /nfs/dbraw/zinc/90/43/22/431904322.db2.gz PYOULDKWERFBON-UHFFFAOYSA-N 0 3 302.418 3.334 20 30 DGEDHN C=C(C)COc1cc(CN(C)C[C@H]2CCC[C@@H]2O)ccc1OC ZINC000091900090 431906354 /nfs/dbraw/zinc/90/63/54/431906354.db2.gz XSCDVDMIXGPEMH-SJORKVTESA-N 0 3 319.445 3.243 20 30 DGEDHN C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)C1 ZINC000127514967 431974554 /nfs/dbraw/zinc/97/45/54/431974554.db2.gz YXXHHWWGYXUUDG-UONOGXRCSA-N 0 3 310.401 3.476 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127661578 431977834 /nfs/dbraw/zinc/97/78/34/431977834.db2.gz VQDAQCQAWAHPBT-ZIAGYGMSSA-N 0 3 319.474 3.071 20 30 DGEDHN N#Cc1ccc(CN(CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000126185776 431944459 /nfs/dbraw/zinc/94/44/59/431944459.db2.gz MKRCIEZWOOXITL-GOSISDBHSA-N 0 3 312.438 3.492 20 30 DGEDHN CC[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278877688 280970375 /nfs/dbraw/zinc/97/03/75/280970375.db2.gz XPZBBZYOYOHEBJ-SLFFLAALSA-N 0 3 324.424 3.084 20 30 DGEDHN CC[C@@](C)(O)CN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191540837 432275337 /nfs/dbraw/zinc/27/53/37/432275337.db2.gz QREUPKBCEZLERA-LJQANCHMSA-N 0 3 311.429 3.060 20 30 DGEDHN N#Cc1ccc(OCCN2CCC(c3ccncc3)CC2)cc1 ZINC000191611792 432282849 /nfs/dbraw/zinc/28/28/49/432282849.db2.gz KRQYEFQOJXNCFR-UHFFFAOYSA-N 0 3 307.397 3.212 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC(c2ccncc2)CC1 ZINC000191672030 432291023 /nfs/dbraw/zinc/29/10/23/432291023.db2.gz KGKOLDYKYVSZJQ-UHFFFAOYSA-N 0 3 307.397 3.212 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@H]1Oc1ccccc1 ZINC000248577919 432302696 /nfs/dbraw/zinc/30/26/96/432302696.db2.gz URHSKKOYTXRLIA-VAMGGRTRSA-N 0 3 322.408 3.273 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@H](C)C1 ZINC000248583141 432302775 /nfs/dbraw/zinc/30/27/75/432302775.db2.gz WOTJPILYLXGAPU-DLBZAZTESA-N 0 3 313.445 3.444 20 30 DGEDHN COc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000174052851 432317387 /nfs/dbraw/zinc/31/73/87/432317387.db2.gz WVGJASKRLVAOJE-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN CCN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191959026 432317810 /nfs/dbraw/zinc/31/78/10/432317810.db2.gz VGERLNIDMZFJTC-YOEHRIQHSA-N 0 3 312.413 3.427 20 30 DGEDHN Cc1ccc([C@H](CN[C@H]2CCC[C@@H](C#N)C2)N2CCCC2)o1 ZINC000248874667 432325905 /nfs/dbraw/zinc/32/59/05/432325905.db2.gz QXTOUFHDYVWILY-IKGGRYGDSA-N 0 3 301.434 3.397 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105653 432333874 /nfs/dbraw/zinc/33/38/74/432333874.db2.gz FUHQQZWYFLXCEQ-DAXOMENPSA-N 0 3 313.800 3.226 20 30 DGEDHN C#CCCCC(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000192125672 432335213 /nfs/dbraw/zinc/33/52/13/432335213.db2.gz CRHPBHWNSXMZDI-UHFFFAOYSA-N 0 3 314.429 3.212 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(C#N)c1C ZINC000249125080 432339385 /nfs/dbraw/zinc/33/93/85/432339385.db2.gz ZQEZRNRDQQXSTP-FIXISWKDSA-N 0 3 303.406 3.121 20 30 DGEDHN C=C(C)CN1CCC(NCc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000152579931 432340724 /nfs/dbraw/zinc/34/07/24/432340724.db2.gz UFARISVVGZAOJD-AWEZNQCLSA-N 0 3 319.518 3.398 20 30 DGEDHN C[C@H](CN(C)CCOc1ccccc1C#N)c1nccs1 ZINC000184022168 432345010 /nfs/dbraw/zinc/34/50/10/432345010.db2.gz AOCIFKCLJIMYHI-CYBMUJFWSA-N 0 3 301.415 3.129 20 30 DGEDHN C=CCc1cc(CN2CCSCC[C@@H]2C)cc(OC)c1O ZINC000191816183 432304755 /nfs/dbraw/zinc/30/47/55/432304755.db2.gz SFXTZHWRVBUVTQ-ZDUSSCGKSA-N 0 3 307.459 3.457 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@H](CC)C1)C(C)C ZINC000248609438 432306853 /nfs/dbraw/zinc/30/68/53/432306853.db2.gz VYGOERWRXKQGJY-RCCFBDPRSA-N 0 3 322.493 3.006 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@](C)(O)c2cccs2)cc1 ZINC000153023942 432376963 /nfs/dbraw/zinc/37/69/63/432376963.db2.gz PFZOHIPTAKGERS-GOSISDBHSA-N 0 3 315.438 3.148 20 30 DGEDHN C=CC[C@H](C)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000184407015 432387925 /nfs/dbraw/zinc/38/79/25/432387925.db2.gz VOVRYRCBHUVEJL-JQFCIGGWSA-N 0 3 308.853 3.266 20 30 DGEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000271432578 432393599 /nfs/dbraw/zinc/39/35/99/432393599.db2.gz BKGBKSVBFOYORQ-AUUYWEPGSA-N 0 3 310.397 3.433 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC(C2CCOCC2)CC1 ZINC000153307639 432399166 /nfs/dbraw/zinc/39/91/66/432399166.db2.gz UETNSSSIVFVTTO-UHFFFAOYSA-N 0 3 314.429 3.076 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2NCC)CC1 ZINC000192295424 432356578 /nfs/dbraw/zinc/35/65/78/432356578.db2.gz LBENXRVMPXEUPK-UHFFFAOYSA-N 0 3 321.852 3.152 20 30 DGEDHN C=CCOc1ccc(CNCC2([C@@H](O)C(C)C)CC2)cc1OC ZINC000272074469 432440329 /nfs/dbraw/zinc/44/03/29/432440329.db2.gz QASWYMXEJQBURO-SFHVURJKSA-N 0 3 319.445 3.147 20 30 DGEDHN C=CCN1CCC(NC(=O)N([C@@H](C)[C@H](C)CC)C2CC2)CC1 ZINC000175477603 432440767 /nfs/dbraw/zinc/44/07/67/432440767.db2.gz BLEFPLVOGWGQPU-CABCVRRESA-N 0 3 307.482 3.245 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000192777601 432412375 /nfs/dbraw/zinc/41/23/75/432412375.db2.gz ZQEZRNRDQQXSTP-ZIBATOQPSA-N 0 3 303.406 3.121 20 30 DGEDHN C=CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000271526735 432414582 /nfs/dbraw/zinc/41/45/82/432414582.db2.gz WPMPSAYSQQJFFF-UHFFFAOYSA-N 0 3 315.442 3.087 20 30 DGEDHN COc1cc(O)c(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271856757 432427103 /nfs/dbraw/zinc/42/71/03/432427103.db2.gz JVJPCVZFRULMSG-GFCCVEGCSA-N 0 3 312.369 3.132 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)c1ccc(CN(C)C)cc1 ZINC000272267819 432473052 /nfs/dbraw/zinc/47/30/52/432473052.db2.gz BKKXXBHEFIBQMC-UHFFFAOYSA-N 0 3 312.413 3.212 20 30 DGEDHN COc1cccc2c1CCN(Cc1ccc(F)c(C#N)c1)CC2 ZINC000193718439 432493033 /nfs/dbraw/zinc/49/30/33/432493033.db2.gz VIVWCPAFLPHYRI-UHFFFAOYSA-N 0 3 310.372 3.307 20 30 DGEDHN C=CCCCCCN1CCCN(c2nc(CC)ns2)CC1 ZINC000193366416 432469336 /nfs/dbraw/zinc/46/93/36/432469336.db2.gz ZZTKWNLJCPZRFA-UHFFFAOYSA-N 0 3 308.495 3.359 20 30 DGEDHN CCN(C(=O)CC1CCN(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000273193753 432563531 /nfs/dbraw/zinc/56/35/31/432563531.db2.gz IPDUPJONIIOYBB-HNNXBMFYSA-N 0 3 313.445 3.200 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000272553838 432522526 /nfs/dbraw/zinc/52/25/26/432522526.db2.gz MOGPEOIJEYCKRN-LBPRGKRZSA-N 0 3 303.324 3.481 20 30 DGEDHN CCN1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000194337955 432543047 /nfs/dbraw/zinc/54/30/47/432543047.db2.gz VOVFMMCYYBHBSE-INIZCTEOSA-N 0 3 314.433 3.094 20 30 DGEDHN C=CCc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)cc(OC)c1O ZINC000273068724 432547218 /nfs/dbraw/zinc/54/72/18/432547218.db2.gz GPQVBUYGGLSCAL-OALUTQOASA-N 0 3 317.429 3.177 20 30 DGEDHN CN(CCOc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000264084679 432613509 /nfs/dbraw/zinc/61/35/09/432613509.db2.gz DSJSVHXGAXGVND-UHFFFAOYSA-N 0 3 314.360 3.239 20 30 DGEDHN Cc1cccc(CN(C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000263728601 432570048 /nfs/dbraw/zinc/57/00/48/432570048.db2.gz PQOOMMJNKKRPMC-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CCN(CC3CC3)CC2)cc1 ZINC000177036017 432577357 /nfs/dbraw/zinc/57/73/57/432577357.db2.gz YBEYMIMMTPBSMT-UHFFFAOYSA-N 0 3 322.374 3.085 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186400203 432591142 /nfs/dbraw/zinc/59/11/42/432591142.db2.gz XCBHNELWLIKHIA-SJLPKXTDSA-N 0 3 302.418 3.250 20 30 DGEDHN CCOC(=O)C[C@](C)(NCC#Cc1ccc(F)cc1)C(C)C ZINC000186697252 432624632 /nfs/dbraw/zinc/62/46/32/432624632.db2.gz DOAVGHXGIHXXDX-SFHVURJKSA-N 0 3 305.393 3.135 20 30 DGEDHN CCN(CC1CC1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000157956235 432635420 /nfs/dbraw/zinc/63/54/20/432635420.db2.gz HQPWWAIQIGMQPQ-CQSZACIVSA-N 0 3 317.408 3.193 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cccc(C)c2)CC1 ZINC000264373617 432640503 /nfs/dbraw/zinc/64/05/03/432640503.db2.gz JQYICZVZCIQEBU-UHFFFAOYSA-N 0 3 315.461 3.177 20 30 DGEDHN N#Cc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177614724 432641800 /nfs/dbraw/zinc/64/18/00/432641800.db2.gz UATBTVZQHMMIRF-IBGZPJMESA-N 0 3 314.429 3.108 20 30 DGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)N(C)C ZINC000264530673 432655690 /nfs/dbraw/zinc/65/56/90/432655690.db2.gz ICJMOQHLORKVNC-QWHCGFSZSA-N 0 3 320.462 3.152 20 30 DGEDHN C#Cc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000218989947 432659908 /nfs/dbraw/zinc/65/99/08/432659908.db2.gz NQXPRPQFRCMACH-UHFFFAOYSA-N 0 3 314.429 3.157 20 30 DGEDHN COC(=O)c1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1 ZINC000264563613 432660397 /nfs/dbraw/zinc/66/03/97/432660397.db2.gz OZHSLDDWKKMJTP-UHFFFAOYSA-N 0 3 324.380 3.008 20 30 DGEDHN CCn1cc([C@H](C)NCCSCc2ccccc2C#N)cn1 ZINC000177822286 432665346 /nfs/dbraw/zinc/66/53/46/432665346.db2.gz AFCQIGLSDUBTBP-AWEZNQCLSA-N 0 3 314.458 3.359 20 30 DGEDHN CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)NC(C)(C)CC ZINC000274641184 432693766 /nfs/dbraw/zinc/69/37/66/432693766.db2.gz QOERQKJSWPIIJN-GFCCVEGCSA-N 0 3 303.406 3.062 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000160115757 432707343 /nfs/dbraw/zinc/70/73/43/432707343.db2.gz VBGOFDOIEASDLH-OALUTQOASA-N 0 3 307.397 3.132 20 30 DGEDHN CC(C)(C)OC(=O)NC1(CNCc2cccc(C#N)c2)CCC1 ZINC000230157432 432724500 /nfs/dbraw/zinc/72/45/00/432724500.db2.gz SQVOFJRJUCTSAO-UHFFFAOYSA-N 0 3 315.417 3.095 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000177907849 432672012 /nfs/dbraw/zinc/67/20/12/432672012.db2.gz HXHWFNHFOARGSG-SJORKVTESA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000187634584 432673530 /nfs/dbraw/zinc/67/35/30/432673530.db2.gz DTFSOGDELPTQRZ-SFHVURJKSA-N 0 3 300.446 3.289 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000178548388 432750774 /nfs/dbraw/zinc/75/07/74/432750774.db2.gz KVPAYHSGZNTORP-UHFFFAOYSA-N 0 3 314.433 3.253 20 30 DGEDHN C=CCCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000178671747 432764538 /nfs/dbraw/zinc/76/45/38/432764538.db2.gz DXBLSGAVXCEYDY-OAHLLOKOSA-N 0 3 301.434 3.080 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000276200942 432782559 /nfs/dbraw/zinc/78/25/59/432782559.db2.gz YRPGKDJCJOQMLF-OAHLLOKOSA-N 0 3 321.490 3.178 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(C#N)o2)CC1 ZINC000232176296 432736433 /nfs/dbraw/zinc/73/64/33/432736433.db2.gz HOCVVJPEYCIQRK-CYBMUJFWSA-N 0 3 319.405 3.030 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000265918802 432745464 /nfs/dbraw/zinc/74/54/64/432745464.db2.gz LZAWKORSFHUCHK-SJORKVTESA-N 0 3 315.461 3.257 20 30 DGEDHN CN(C)c1ccc(CN(Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000276768449 432825054 /nfs/dbraw/zinc/82/50/54/432825054.db2.gz NYVZJKIRQBEOKJ-UHFFFAOYSA-N 0 3 308.429 3.127 20 30 DGEDHN OCC[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267421985 432835053 /nfs/dbraw/zinc/83/50/53/432835053.db2.gz WPLWEJZOZCBPMV-INIZCTEOSA-N 0 3 311.347 3.294 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H](C)[C@H](C)C1 ZINC000267614969 432836321 /nfs/dbraw/zinc/83/63/21/432836321.db2.gz CCLZACHWKQYWGV-ZNMIVQPWSA-N 0 3 317.408 3.049 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000276208337 432783089 /nfs/dbraw/zinc/78/30/89/432783089.db2.gz ZQZZPPVISVQUOB-KRWDZBQOSA-N 0 3 301.434 3.041 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245799607 432864599 /nfs/dbraw/zinc/86/45/99/432864599.db2.gz PBLUPKOJQNPFPO-LJHODMEESA-N 0 3 323.440 3.095 20 30 DGEDHN CCn1ccnc1[C@H](N[C@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000375419366 288735447 /nfs/dbraw/zinc/73/54/47/288735447.db2.gz GRWBIZBSEWUVOS-BHYGNILZSA-N 0 3 316.449 3.043 20 30 DGEDHN Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329938783 432883953 /nfs/dbraw/zinc/88/39/53/432883953.db2.gz FFUSYEHTNPJGJP-LRDDRELGSA-N 0 3 318.465 3.114 20 30 DGEDHN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccn1 ZINC000329944072 432884671 /nfs/dbraw/zinc/88/46/71/432884671.db2.gz IDXWJMGPHZLWCT-HNNXBMFYSA-N 0 3 317.433 3.190 20 30 DGEDHN Cc1nn(C(C)(C)C)cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329958269 432885767 /nfs/dbraw/zinc/88/57/67/432885767.db2.gz PXGOCVKBNKXVEA-OAHLLOKOSA-N 0 3 318.465 3.268 20 30 DGEDHN CC(C)(C)[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1 ZINC000329995145 432887866 /nfs/dbraw/zinc/88/78/66/432887866.db2.gz MXBPMHABWSWORI-LSDHHAIUSA-N 0 3 318.465 3.118 20 30 DGEDHN CN(CCCCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000278213155 432889409 /nfs/dbraw/zinc/88/94/09/432889409.db2.gz TWHOHRKINVMALY-HNNXBMFYSA-N 0 3 302.418 3.478 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)CCc2nc(C3CCCC3)no2)CCN1C ZINC000330032082 432889432 /nfs/dbraw/zinc/88/94/32/432889432.db2.gz UMBIJYUHNUJCHV-OCCSQVGLSA-N 0 3 320.437 3.099 20 30 DGEDHN CCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1F ZINC000278358885 432891567 /nfs/dbraw/zinc/89/15/67/432891567.db2.gz IPGNEUOIXBVBTG-UHFFFAOYSA-N 0 3 314.360 3.417 20 30 DGEDHN N#Cc1sc(NC2CCN(C3CCCC3)CC2)nc1Cl ZINC000288410861 432891832 /nfs/dbraw/zinc/89/18/32/432891832.db2.gz NIYZUZAJULFRME-UHFFFAOYSA-N 0 3 310.854 3.487 20 30 DGEDHN CC[C@@H](C)CN(CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000245728121 432859381 /nfs/dbraw/zinc/85/93/81/432859381.db2.gz BWHJPWBUHDUUQP-OCCSQVGLSA-N 0 3 305.447 3.093 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2c(C)c(F)ccc2Cl)CC1 ZINC000279175300 432942321 /nfs/dbraw/zinc/94/23/21/432942321.db2.gz HSIGCEZITACUSB-UHFFFAOYSA-N 0 3 308.784 3.071 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2CSCC)CC1 ZINC000279216309 432946408 /nfs/dbraw/zinc/94/64/08/432946408.db2.gz LMLYBXLRFJNWPV-UHFFFAOYSA-N 0 3 318.486 3.320 20 30 DGEDHN CC(C)(CO)[C@H](NCc1ccc(C#N)cc1)c1cccs1 ZINC000289353270 432949082 /nfs/dbraw/zinc/94/90/82/432949082.db2.gz NFCWOKVIAWXRIB-MRXNPFEDSA-N 0 3 300.427 3.469 20 30 DGEDHN Cc1noc(C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2)n1 ZINC000278717486 432899217 /nfs/dbraw/zinc/89/92/17/432899217.db2.gz MAGGKJZVTYNSAT-XIRDDKMYSA-N 0 3 310.401 3.334 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)NC1(c2ccccc2)CCC1 ZINC000330272451 432902279 /nfs/dbraw/zinc/90/22/79/432902279.db2.gz XRLIACCEGKPBBR-AEFFLSMTSA-N 0 3 314.429 3.179 20 30 DGEDHN C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000330349990 432904762 /nfs/dbraw/zinc/90/47/62/432904762.db2.gz KOHZGIXGKWCKDI-ZBFHGGJFSA-N 0 3 304.438 3.025 20 30 DGEDHN CCc1noc(C)c1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000330445109 432909919 /nfs/dbraw/zinc/90/99/19/432909919.db2.gz QXUWFTCAIFKRJI-GFCCVEGCSA-N 0 3 307.438 3.361 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccc(C#N)cc2)[C@@]12CCCO2 ZINC000278881897 432913329 /nfs/dbraw/zinc/91/33/29/432913329.db2.gz XYLOGEPSMJFBSS-OKYOBFRVSA-N 0 3 314.429 3.326 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000278908136 432915140 /nfs/dbraw/zinc/91/51/40/432915140.db2.gz ZXFKKCUNWOBXSR-KJGCVMFHSA-N 0 3 302.418 3.443 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000289088923 432921820 /nfs/dbraw/zinc/92/18/20/432921820.db2.gz UGVRFFVVUGCXOD-HSALFYBXSA-N 0 3 311.425 3.378 20 30 DGEDHN C#C[C@H](C)NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000289630414 432969318 /nfs/dbraw/zinc/96/93/18/432969318.db2.gz WUORASXTBGSRJF-ZDUSSCGKSA-N 0 3 301.411 3.447 20 30 DGEDHN C=C[C@@H](CO)N[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000289634427 432971794 /nfs/dbraw/zinc/97/17/94/432971794.db2.gz FKDYHQJZOVNTQE-SMDDNHRTSA-N 0 3 318.417 3.463 20 30 DGEDHN C=C[C@@H](CO)N[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000289726525 432973158 /nfs/dbraw/zinc/97/31/58/432973158.db2.gz JWXHIRHYLXSIIR-TVQRCGJNSA-N 0 3 316.626 3.226 20 30 DGEDHN C#Cc1ccc(CNCCc2nc(C(F)(F)F)cs2)cc1 ZINC000289970890 432981561 /nfs/dbraw/zinc/98/15/61/432981561.db2.gz BRACWOYZDSXHOL-UHFFFAOYSA-N 0 3 310.344 3.476 20 30 DGEDHN Cc1ccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279737677 432991688 /nfs/dbraw/zinc/99/16/88/432991688.db2.gz OLILIWJQEZIHOK-DNVCBOLYSA-N 0 3 317.392 3.426 20 30 DGEDHN N#Cc1ccc(OCCN2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289441587 432959951 /nfs/dbraw/zinc/95/99/51/432959951.db2.gz WOLPFAGVGQTYHE-GOSISDBHSA-N 0 3 307.397 3.212 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC000289461966 432963258 /nfs/dbraw/zinc/96/32/58/432963258.db2.gz ONYSMGQTSDBVKS-UHFFFAOYSA-N 0 3 317.820 3.368 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349803149 433012638 /nfs/dbraw/zinc/01/26/38/433012638.db2.gz PQMLDPQQHFUEBA-AAEUAGOBSA-N 0 3 306.793 3.283 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000332802144 433019074 /nfs/dbraw/zinc/01/90/74/433019074.db2.gz XXIUONFUQCHMBZ-CVEARBPZSA-N 0 3 317.477 3.230 20 30 DGEDHN Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)cc(C#N)n1 ZINC000341336378 433031269 /nfs/dbraw/zinc/03/12/69/433031269.db2.gz BVBSXEHROWWQGA-QGZVFWFLSA-N 0 3 310.401 3.494 20 30 DGEDHN C[C@H](C#N)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000345810194 289236105 /nfs/dbraw/zinc/23/61/05/289236105.db2.gz FVEZWFYRHMHHTI-OAHLLOKOSA-N 0 3 321.424 3.191 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425016803 433077450 /nfs/dbraw/zinc/07/74/50/433077450.db2.gz XRJGKWSOJCAQHM-NSHGMRRFSA-N 0 3 312.457 3.322 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000290527951 433083824 /nfs/dbraw/zinc/08/38/24/433083824.db2.gz NRENNDPHBNDIAI-HNNXBMFYSA-N 0 3 316.386 3.243 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453322929 433090465 /nfs/dbraw/zinc/09/04/65/433090465.db2.gz AJMPHVHRVHSZEW-OAGGEKHMSA-N 0 3 302.374 3.250 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453336151 433100431 /nfs/dbraw/zinc/10/04/31/433100431.db2.gz ATPQSYUOXHWFES-VXGBXAGGSA-N 0 3 313.825 3.335 20 30 DGEDHN C[C@H](CN1CCCCC1)Nc1nc2cc(Cl)ccn2c1C#N ZINC000341556428 433129952 /nfs/dbraw/zinc/12/99/52/433129952.db2.gz ZGPXNUUWEBWYLE-GFCCVEGCSA-N 0 3 317.824 3.146 20 30 DGEDHN COC(=O)[C@@H]1CN([C@@H](C)CCC#N)C[C@H]1c1ccc(Cl)cc1 ZINC000298419880 433133515 /nfs/dbraw/zinc/13/35/15/433133515.db2.gz PMROVOXSJWKSHG-VBNZEHGJSA-N 0 3 320.820 3.221 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1 ZINC000373230965 433137580 /nfs/dbraw/zinc/13/75/80/433137580.db2.gz OIVPAAGSKSUYNN-RDJZCZTQSA-N 0 3 324.428 3.091 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1 ZINC000373230966 433139148 /nfs/dbraw/zinc/13/91/48/433139148.db2.gz OIVPAAGSKSUYNN-WBVHZDCISA-N 0 3 324.428 3.091 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000373253308 433142915 /nfs/dbraw/zinc/14/29/15/433142915.db2.gz TYEFLKHSAYJAMV-YJBOKZPZSA-N 0 3 314.429 3.226 20 30 DGEDHN CC#CCCNCc1ccc(OC)cc1OCc1cccnc1 ZINC000446809128 433106134 /nfs/dbraw/zinc/10/61/34/433106134.db2.gz PIAUMAFHSDZBHU-UHFFFAOYSA-N 0 3 310.397 3.172 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000280613352 433107087 /nfs/dbraw/zinc/10/70/87/433107087.db2.gz KFVWMJVHGMVCHJ-WFASDCNBSA-N 0 3 310.781 3.319 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000425133089 433107354 /nfs/dbraw/zinc/10/73/54/433107354.db2.gz SBDVGQMBVLCXJY-HNNXBMFYSA-N 0 3 321.424 3.453 20 30 DGEDHN N#CCSCCCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000373402936 433153896 /nfs/dbraw/zinc/15/38/96/433153896.db2.gz DPGWXNLOVQDJJG-INIZCTEOSA-N 0 3 322.449 3.454 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2ccc(Br)cc21 ZINC000453357892 433117105 /nfs/dbraw/zinc/11/71/05/433117105.db2.gz MSRCJSOGKIQNSG-KFWWJZLASA-N 0 3 308.219 3.370 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000280638215 433118526 /nfs/dbraw/zinc/11/85/26/433118526.db2.gz ZHGFACCLSOMQML-SFHVURJKSA-N 0 3 321.424 3.423 20 30 DGEDHN CCN(CC)[C@@H](CNc1cc(C#N)cc(C)n1)c1ccsc1 ZINC000341535033 433119850 /nfs/dbraw/zinc/11/98/50/433119850.db2.gz PGOPDZGWFCAVMC-INIZCTEOSA-N 0 3 314.458 3.818 20 30 DGEDHN C=CCCC[C@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373450451 433154064 /nfs/dbraw/zinc/15/40/64/433154064.db2.gz ZBQGHIPUQZCHMU-WFASDCNBSA-N 0 3 311.422 3.379 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc([C@H]2CCCO2)s1 ZINC000280745623 433160162 /nfs/dbraw/zinc/16/01/62/433160162.db2.gz XLDKFRCNOIGRME-CFVMTHIKSA-N 0 3 308.447 3.065 20 30 DGEDHN Cc1oc(NC(=O)CN(CC2CC2)CC2CCC2)c(C#N)c1C ZINC000280828734 433191256 /nfs/dbraw/zinc/19/12/56/433191256.db2.gz VTLSGXHFRNTQFB-UHFFFAOYSA-N 0 3 315.417 3.219 20 30 DGEDHN CCN(CC1CCC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000361480158 433198794 /nfs/dbraw/zinc/19/87/94/433198794.db2.gz BTDCHRZDSOJYMK-MRXNPFEDSA-N 0 3 313.445 3.444 20 30 DGEDHN CCN(CC1CCC1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000361487087 433204049 /nfs/dbraw/zinc/20/40/49/433204049.db2.gz UJZJTUGLOHHZFU-KOHRHEQBSA-N 0 3 319.493 3.428 20 30 DGEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2OC)cc1 ZINC000337455305 433237294 /nfs/dbraw/zinc/23/72/94/433237294.db2.gz JBCDQPISMSTYDD-UGSOOPFHSA-N 0 3 324.380 3.069 20 30 DGEDHN CN(C(=O)CN(CC1CC1)CC1CCC1)C1(C#N)CCCCC1 ZINC000361554372 433238639 /nfs/dbraw/zinc/23/86/39/433238639.db2.gz SSSLIRCSRBLJGU-UHFFFAOYSA-N 0 3 317.477 3.183 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2nccc(C#N)c2Cl)C1 ZINC000341729032 433239286 /nfs/dbraw/zinc/23/92/86/433239286.db2.gz LUGTVQPLZRAGOR-NFAWXSAZSA-N 0 3 318.852 3.448 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(c2nccc(C#N)c2Cl)C1 ZINC000341729031 433239839 /nfs/dbraw/zinc/23/98/39/433239839.db2.gz LUGTVQPLZRAGOR-GUTXKFCHSA-N 0 3 318.852 3.448 20 30 DGEDHN C[C@H]1CC[C@@H](CNCc2cn(CCC#N)nc2-c2ccccc2)O1 ZINC000453627172 433248452 /nfs/dbraw/zinc/24/84/52/433248452.db2.gz HVJUIRMKLVPUIS-YJBOKZPZSA-N 0 3 324.428 3.121 20 30 DGEDHN COc1ccc(CNC[C@H]2CC[C@@H](C)O2)cc1OCCCC#N ZINC000453630676 433250721 /nfs/dbraw/zinc/25/07/21/433250721.db2.gz MIYWVDLBAMRJSC-GDBMZVCRSA-N 0 3 318.417 3.035 20 30 DGEDHN CNC(=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341756576 433254848 /nfs/dbraw/zinc/25/48/48/433254848.db2.gz FOFIHCWNUPQYIC-IBGZPJMESA-N 0 3 319.408 3.085 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413906849 433314759 /nfs/dbraw/zinc/31/47/59/433314759.db2.gz ZRGWOIQXERXUCT-UHFFFAOYSA-N 0 3 320.408 3.473 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000413281545 433273053 /nfs/dbraw/zinc/27/30/53/433273053.db2.gz NFPCNQAQXNWBQH-DGCLKSJQSA-N 0 3 324.350 3.035 20 30 DGEDHN C[C@@H](CCN1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000447794473 433278818 /nfs/dbraw/zinc/27/88/18/433278818.db2.gz DYEALOATMRUXGH-KRWDZBQOSA-N 0 3 320.440 3.269 20 30 DGEDHN CC[C@H]1CCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447849891 433300353 /nfs/dbraw/zinc/30/03/53/433300353.db2.gz KCIRHDIFXKNITJ-WMZOPIPTSA-N 0 3 311.429 3.318 20 30 DGEDHN N#CC1CCC(CNCc2cn3cc(Cl)ccc3n2)CC1 ZINC000281460791 433306886 /nfs/dbraw/zinc/30/68/86/433306886.db2.gz AYBNGTIBZILZIB-UHFFFAOYSA-N 0 3 302.809 3.407 20 30 DGEDHN Cc1nc(NC2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000291687480 433313414 /nfs/dbraw/zinc/31/34/14/433313414.db2.gz SAXQJJWJHCRUMD-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000375122893 433368212 /nfs/dbraw/zinc/36/82/12/433368212.db2.gz DGTBKTUKYGWDEN-SJLPKXTDSA-N 0 3 312.457 3.063 20 30 DGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000448001297 433343933 /nfs/dbraw/zinc/34/39/33/433343933.db2.gz QDEMVSPFAKNDFS-HNNXBMFYSA-N 0 3 317.433 3.401 20 30 DGEDHN COc1ccc([C@@H](O)C2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000292024929 433431740 /nfs/dbraw/zinc/43/17/40/433431740.db2.gz YPAQZGFRFLIBEJ-GOSISDBHSA-N 0 3 316.445 3.380 20 30 DGEDHN C=C(CC)CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000454412650 433415493 /nfs/dbraw/zinc/41/54/93/433415493.db2.gz VPUXCZIASUNQMX-UHFFFAOYSA-N 0 3 321.490 3.226 20 30 DGEDHN N#Cc1ccc(N2CCN(CC3CC3)CC2)cc1C(F)(F)F ZINC000301106832 433419134 /nfs/dbraw/zinc/41/91/34/433419134.db2.gz QRSSJZJTCSFYHS-UHFFFAOYSA-N 0 3 309.335 3.109 20 30 DGEDHN CCC[C@@H](NC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000355056423 433437601 /nfs/dbraw/zinc/43/76/01/433437601.db2.gz LKWDPPGLOBRKNX-MRXNPFEDSA-N 0 3 317.433 3.451 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2CC)CC1 ZINC000454463499 433439476 /nfs/dbraw/zinc/43/94/76/433439476.db2.gz LRGLKLKULHPZTL-CVEARBPZSA-N 0 3 307.482 3.152 20 30 DGEDHN CC(C)c1nnc(CCN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000426308292 433460525 /nfs/dbraw/zinc/46/05/25/433460525.db2.gz DLJLVMQZAZUVJJ-GFCCVEGCSA-N 0 3 300.431 3.426 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCC[C@H]1O ZINC000351310352 433469329 /nfs/dbraw/zinc/46/93/29/433469329.db2.gz YRBFGUPJWNJVCZ-DZGCQCFKSA-N 0 3 324.371 3.143 20 30 DGEDHN COc1ccc(OCCCNCc2ccc(C#N)c(F)c2)cc1 ZINC000421330671 433479631 /nfs/dbraw/zinc/47/96/31/433479631.db2.gz YIGQGEDDSYMUDM-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(C#N)cc1 ZINC000159863570 292802383 /nfs/dbraw/zinc/80/23/83/292802383.db2.gz MGMHAMXAZHLHLR-CQSZACIVSA-N 0 3 307.397 3.111 20 30 DGEDHN C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000414281109 433510134 /nfs/dbraw/zinc/51/01/34/433510134.db2.gz ARKLEDKVRRCSET-IUODEOHRSA-N 0 3 316.351 3.263 20 30 DGEDHN C=CCSCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000414322307 433540946 /nfs/dbraw/zinc/54/09/46/433540946.db2.gz FMMIXPIXKBKBSD-UHFFFAOYSA-N 0 3 305.422 3.329 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000454607708 433512427 /nfs/dbraw/zinc/51/24/27/433512427.db2.gz ICVKKBPQSYOMBU-SJLPKXTDSA-N 0 3 315.461 3.162 20 30 DGEDHN N#Cc1cc(F)ccc1NCC1(N2CCSCC2)CCCC1 ZINC000301362522 433522207 /nfs/dbraw/zinc/52/22/07/433522207.db2.gz MIINWOJHDYJBON-UHFFFAOYSA-N 0 3 319.449 3.471 20 30 DGEDHN N#CCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000292250707 433524853 /nfs/dbraw/zinc/52/48/53/433524853.db2.gz QWCDNAVLRVPJHA-FQEVSTJZSA-N 0 3 320.440 3.072 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(OCc2noc(C)n2)cc1 ZINC000426549803 433527289 /nfs/dbraw/zinc/52/72/89/433527289.db2.gz UOEGCBNUVFJZIT-INIZCTEOSA-N 0 3 313.401 3.498 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000292292399 433541757 /nfs/dbraw/zinc/54/17/57/433541757.db2.gz UGVRFFVVUGCXOD-ZCNNSNEGSA-N 0 3 311.425 3.378 20 30 DGEDHN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ccc(C#N)cc1 ZINC000301405507 433539965 /nfs/dbraw/zinc/53/99/65/433539965.db2.gz UHVYRNIQCBBGJQ-QGZVFWFLSA-N 0 3 320.440 3.181 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000421339942 433486654 /nfs/dbraw/zinc/48/66/54/433486654.db2.gz HKJJREVNABLOGK-MRXNPFEDSA-N 0 3 312.392 3.122 20 30 DGEDHN N#Cc1ccc(CNCC[C@H]2COc3ccccc3O2)cc1F ZINC000421342148 433487695 /nfs/dbraw/zinc/48/76/95/433487695.db2.gz MVEUXWVHFVTCQF-HNNXBMFYSA-N 0 3 312.344 3.017 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000448703241 433505101 /nfs/dbraw/zinc/50/51/01/433505101.db2.gz ZBMMPYNSTDNNMX-MSOLQXFVSA-N 0 3 314.429 3.202 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000355738958 433554529 /nfs/dbraw/zinc/55/45/29/433554529.db2.gz QROCEVISRNTHDN-PVAVHDDUSA-N 0 3 303.450 3.332 20 30 DGEDHN N#Cc1cccc(CNC[C@@H](CO)c2ccccc2Cl)c1 ZINC000342293559 433593580 /nfs/dbraw/zinc/59/35/80/433593580.db2.gz GXJHFARNAJGMDW-HNNXBMFYSA-N 0 3 300.789 3.077 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](OC)C[C@@H]2C)cc(OC)c1O ZINC000282302195 433559324 /nfs/dbraw/zinc/55/93/24/433559324.db2.gz MMCNMKVIYGYUFO-XJKSGUPXSA-N 0 3 305.418 3.129 20 30 DGEDHN N#Cc1cccc(CNC[C@H](CO)c2ccccc2Cl)c1 ZINC000342293565 433592910 /nfs/dbraw/zinc/59/29/10/433592910.db2.gz GXJHFARNAJGMDW-OAHLLOKOSA-N 0 3 300.789 3.077 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(C)nc(Cl)c2CC)CC1 ZINC000301406679 433543466 /nfs/dbraw/zinc/54/34/66/433543466.db2.gz VEVPBVRESHICRI-UHFFFAOYSA-N 0 3 308.857 3.453 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@H]1CC[C@H](C)C1 ZINC000362146627 433546222 /nfs/dbraw/zinc/54/62/22/433546222.db2.gz BVEJUKOXHIUZAB-YOEHRIQHSA-N 0 3 302.418 3.204 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282268576 433547877 /nfs/dbraw/zinc/54/78/77/433547877.db2.gz AJBWFXYLFDXPOW-KDOFPFPSSA-N 0 3 309.413 3.160 20 30 DGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000355491621 433547959 /nfs/dbraw/zinc/54/79/59/433547959.db2.gz NNWMXMNQGVIIFD-OAHLLOKOSA-N 0 3 319.836 3.062 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000282751521 433627871 /nfs/dbraw/zinc/62/78/71/433627871.db2.gz AUQUXPIRAVYSEJ-KCPJHIHWSA-N 0 3 323.234 3.154 20 30 DGEDHN Cc1sc(NC(=O)CN(CC2CC2)CC2CC2)c(C#N)c1C ZINC000427001517 433636608 /nfs/dbraw/zinc/63/66/08/433636608.db2.gz JVZBBVCZOONYDB-UHFFFAOYSA-N 0 3 317.458 3.297 20 30 DGEDHN COc1cc(CN2CCSC3(CCC3)CC2)ccc1C#N ZINC000414476588 433636819 /nfs/dbraw/zinc/63/68/19/433636819.db2.gz KAXXXASXXUQQII-UHFFFAOYSA-N 0 3 302.443 3.428 20 30 DGEDHN Cc1nnc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C#N)c1C ZINC000301620424 433643255 /nfs/dbraw/zinc/64/32/55/433643255.db2.gz MMDAMCPLZGWHSR-SUMWQHHRSA-N 0 3 321.428 3.040 20 30 DGEDHN CCc1nnc(NC[C@H](C)N2CCC[C@@H](C)C2)c(C#N)c1CC ZINC000301625154 433644890 /nfs/dbraw/zinc/64/48/90/433644890.db2.gz PPWXPCRNGVUPAS-KGLIPLIRSA-N 0 3 315.465 3.005 20 30 DGEDHN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@H]3C2)cc1Cl ZINC000426793252 433602385 /nfs/dbraw/zinc/60/23/85/433602385.db2.gz MQMMJIPVMNXIBI-KBPBESRZSA-N 0 3 317.820 3.272 20 30 DGEDHN CC#CCCCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456351870 433608839 /nfs/dbraw/zinc/60/88/39/433608839.db2.gz XHWWKPGOUOKWGW-GOSISDBHSA-N 0 3 312.457 3.161 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000448921405 433616429 /nfs/dbraw/zinc/61/64/29/433616429.db2.gz MOXKHGCDLIFDEG-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000356570404 433616522 /nfs/dbraw/zinc/61/65/22/433616522.db2.gz XJIROEVXESFURK-SECBINFHSA-N 0 3 300.280 3.096 20 30 DGEDHN COCCN(C)CC[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000426899405 433626895 /nfs/dbraw/zinc/62/68/95/433626895.db2.gz TTYCGJQZYWXDBY-LJQANCHMSA-N 0 3 324.428 3.075 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000362388855 433684016 /nfs/dbraw/zinc/68/40/16/433684016.db2.gz JWROOKJMIFBIOR-UONOGXRCSA-N 0 3 304.459 3.177 20 30 DGEDHN C[C@@H]1CC(C)(C)CN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000414528480 433693759 /nfs/dbraw/zinc/69/37/59/433693759.db2.gz UESOEHIGXUZNTO-OAHLLOKOSA-N 0 3 323.444 3.479 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000362402301 433698749 /nfs/dbraw/zinc/69/87/49/433698749.db2.gz LBQWQFVNLILGDE-UKRRQHHQSA-N 0 3 304.459 3.177 20 30 DGEDHN CC(C)N1CCC[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000356806337 433707700 /nfs/dbraw/zinc/70/77/00/433707700.db2.gz LQAAOMAQEQIMAH-QZTJIDSGSA-N 0 3 313.445 3.063 20 30 DGEDHN C=CCCOCCN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000283420632 433719259 /nfs/dbraw/zinc/71/92/59/433719259.db2.gz RPASDOMPNYTDMH-ROUUACIJSA-N 0 3 317.429 3.351 20 30 DGEDHN N#CCCOCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000293455570 433745966 /nfs/dbraw/zinc/74/59/66/433745966.db2.gz CVXWVSUXLLYLTB-UHFFFAOYSA-N 0 3 317.364 3.077 20 30 DGEDHN C[C@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCN1C ZINC000428171678 433752791 /nfs/dbraw/zinc/75/27/91/433752791.db2.gz UJZWXTNISRRCDU-XJKSGUPXSA-N 0 3 312.461 3.462 20 30 DGEDHN C[C@H](Nc1nccc(C#N)c1Cl)[C@H](c1ccccc1)N(C)C ZINC000343098802 433778288 /nfs/dbraw/zinc/77/82/88/433778288.db2.gz LFFQDJPLSNKCMO-BLLLJJGKSA-N 0 3 314.820 3.710 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000429708845 433782726 /nfs/dbraw/zinc/78/27/26/433782726.db2.gz NYSWOGKFHWKWCO-QGZVFWFLSA-N 0 3 317.477 3.070 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](CCCO)C2)cc1Cl ZINC000449787440 433795728 /nfs/dbraw/zinc/79/57/28/433795728.db2.gz AAGVXRYKUBFRNZ-CQSZACIVSA-N 0 3 309.837 3.499 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000362641760 433804160 /nfs/dbraw/zinc/80/41/60/433804160.db2.gz OJAAZSZYOISAJC-CABCVRRESA-N 0 3 301.434 3.086 20 30 DGEDHN Cc1c(Cl)cnc(NC[C@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000343508028 433809264 /nfs/dbraw/zinc/80/92/64/433809264.db2.gz IETKKEKVGQKBLN-RYUDHWBXSA-N 0 3 306.841 3.590 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000284887598 433907643 /nfs/dbraw/zinc/90/76/43/433907643.db2.gz GVHZXHAIPHGNPZ-RBUKOAKNSA-N 0 3 310.397 3.266 20 30 DGEDHN C#CCCOc1ccc(CN2CCC3(CCOCC3)CC2)cc1 ZINC000285136976 433919368 /nfs/dbraw/zinc/91/93/68/433919368.db2.gz OMDZSONYBRJEPW-UHFFFAOYSA-N 0 3 313.441 3.481 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285135174 433919899 /nfs/dbraw/zinc/91/98/99/433919899.db2.gz LQIREGBVDNLZQA-CQSZACIVSA-N 0 3 308.809 3.382 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)[C@](C)(C#N)CC)c1ccsc1 ZINC000285274628 433921539 /nfs/dbraw/zinc/92/15/39/433921539.db2.gz UACAELUBZJUHRU-HOCLYGCPSA-N 0 3 307.463 3.187 20 30 DGEDHN C=CCc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)cc(OC)c1O ZINC000285247614 433923613 /nfs/dbraw/zinc/92/36/13/433923613.db2.gz SSUQZGFRNAWITO-IRXDYDNUSA-N 0 3 317.429 3.273 20 30 DGEDHN COc1ccccc1COC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293917077 433925483 /nfs/dbraw/zinc/92/54/83/433925483.db2.gz XMKCFDSQQLTOKV-DOTOQJQBSA-N 0 3 314.429 3.368 20 30 DGEDHN CCC[C@@H](C)C(=O)NCCN[C@H](CC)c1ccc(C#N)cc1 ZINC000293836822 433887596 /nfs/dbraw/zinc/88/75/96/433887596.db2.gz XNJPTIOXVAXTDL-RHSMWYFYSA-N 0 3 301.434 3.151 20 30 DGEDHN CN(C)Cc1cccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000357311150 433945287 /nfs/dbraw/zinc/94/52/87/433945287.db2.gz ZWJFMMAQEACIJI-UHFFFAOYSA-N 0 3 319.408 3.039 20 30 DGEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)cc1F ZINC000377675634 433952648 /nfs/dbraw/zinc/95/26/48/433952648.db2.gz UPUPKDNOYDDFAS-SFHVURJKSA-N 0 3 321.399 3.334 20 30 DGEDHN COCCCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000285529239 433983312 /nfs/dbraw/zinc/98/33/12/433983312.db2.gz KWDXNCCASKRMBF-UHFFFAOYSA-N 0 3 310.397 3.263 20 30 DGEDHN Cc1noc(C)c1C(C)(C)NCCCOc1cccc(C#N)c1 ZINC000285537037 433983795 /nfs/dbraw/zinc/98/37/95/433983795.db2.gz FUTMVXDUBFQWAL-UHFFFAOYSA-N 0 3 313.401 3.457 20 30 DGEDHN CC(C)N1CC[C@@H](N(C)C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000457097490 433986314 /nfs/dbraw/zinc/98/63/14/433986314.db2.gz RYONVUFEKIFYTR-QZTJIDSGSA-N 0 3 313.445 3.015 20 30 DGEDHN Cc1ccnc(N[C@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000303399228 433938345 /nfs/dbraw/zinc/93/83/45/433938345.db2.gz TYEPDMBPWDZGFM-KRWDZBQOSA-N 0 3 306.413 3.338 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCOCC1CCCC1 ZINC000457135992 434006984 /nfs/dbraw/zinc/00/69/84/434006984.db2.gz QACCDWYXHUTZOY-SFHVURJKSA-N 0 3 314.429 3.082 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C#N)ccc1Cl ZINC000285594898 434009255 /nfs/dbraw/zinc/00/92/55/434009255.db2.gz PGRUQMDYAYLJIN-CQSZACIVSA-N 0 3 319.836 3.206 20 30 DGEDHN CC1(C)CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000294191974 434035829 /nfs/dbraw/zinc/03/58/29/434035829.db2.gz OXWUICOVOJCACY-IRXDYDNUSA-N 0 3 309.413 3.183 20 30 DGEDHN C[C@@H]1CC[C@@H](CN2CCC(Oc3ccc(C#N)cc3F)CC2)O1 ZINC000285577472 433997133 /nfs/dbraw/zinc/99/71/33/433997133.db2.gz UWDFESFMARFGMS-CJNGLKHVSA-N 0 3 318.392 3.108 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000416064941 434000201 /nfs/dbraw/zinc/00/02/01/434000201.db2.gz ASSCQGDXHQTZOS-ZACQAIPSSA-N 0 3 309.413 3.181 20 30 DGEDHN CN1CC[C@@H](CSc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000352931276 434062035 /nfs/dbraw/zinc/06/20/35/434062035.db2.gz OPJXMWFMOYHEBP-SECBINFHSA-N 0 3 301.337 3.016 20 30 DGEDHN CN(CCN[C@H]1CCc2ccc(C#N)cc21)Cc1ccc(F)cc1 ZINC000353253226 434071362 /nfs/dbraw/zinc/07/13/62/434071362.db2.gz KVHKJDIPDZLXHF-FQEVSTJZSA-N 0 3 323.415 3.406 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294542466 434119260 /nfs/dbraw/zinc/11/92/60/434119260.db2.gz UCQYDAPFQIGZOY-MRXNPFEDSA-N 0 3 318.486 3.177 20 30 DGEDHN C=CCC[C@@H](NCCNC(=O)c1ccccc1F)c1ccco1 ZINC000285969220 434125220 /nfs/dbraw/zinc/12/52/20/434125220.db2.gz HAPVWPWPOFRVTN-MRXNPFEDSA-N 0 3 316.376 3.446 20 30 DGEDHN CCn1cc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000294955225 434154024 /nfs/dbraw/zinc/15/40/24/434154024.db2.gz WFADFLBCYVRXML-HNNXBMFYSA-N 0 3 311.433 3.104 20 30 DGEDHN CC1CCC(N2CCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000353467112 434155438 /nfs/dbraw/zinc/15/54/38/434155438.db2.gz AAJGOZDWIQOIMJ-UHFFFAOYSA-N 0 3 315.436 3.394 20 30 DGEDHN N#Cc1ccnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000286235821 434202757 /nfs/dbraw/zinc/20/27/57/434202757.db2.gz DXQPPPMVKQLMHI-HXUWFJFHSA-N 0 3 318.424 3.056 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000295132925 434218919 /nfs/dbraw/zinc/21/89/19/434218919.db2.gz IGBYKIKHODLGGG-MRXNPFEDSA-N 0 3 300.446 3.322 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNC[C@H]2OCCc3ccccc32)cc1 ZINC000364219517 434263232 /nfs/dbraw/zinc/26/32/32/434263232.db2.gz NDNLLCLMIJERLR-FOIQADDNSA-N 0 3 322.408 3.381 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(CN)nc2C)cc1 ZINC000423109439 434222422 /nfs/dbraw/zinc/22/24/22/434222422.db2.gz SNKFKSRHYNDXBZ-CQSZACIVSA-N 0 3 311.429 3.264 20 30 DGEDHN CC[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(N)=O ZINC000378617910 434236385 /nfs/dbraw/zinc/23/63/85/434236385.db2.gz BXHCKCLEIATEFI-SCLBCKFNSA-N 0 3 307.397 3.140 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000320267285 434237345 /nfs/dbraw/zinc/23/73/45/434237345.db2.gz LBTKUNSIHQVMOG-UWVGGRQHSA-N 0 3 304.253 3.488 20 30 DGEDHN COC(=O)C[C@H](NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000348009184 434285299 /nfs/dbraw/zinc/28/52/99/434285299.db2.gz WQOYCHMECWESNS-KRWDZBQOSA-N 0 3 318.392 3.299 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCOC1 ZINC000348261192 434287599 /nfs/dbraw/zinc/28/75/99/434287599.db2.gz LNCSGSDXTLLZGB-BXUZGUMPSA-N 0 3 323.234 3.225 20 30 DGEDHN C=C(C)CN(CCC(=O)N1CCCCC1)Cc1ccccc1 ZINC000348203167 434288406 /nfs/dbraw/zinc/28/84/06/434288406.db2.gz AGVISCVRRZMUSG-UHFFFAOYSA-N 0 3 300.446 3.467 20 30 DGEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)c(OC)c1 ZINC000353641179 434296121 /nfs/dbraw/zinc/29/61/21/434296121.db2.gz IJQHZVMCDBUJRT-QGZVFWFLSA-N 0 3 308.381 3.353 20 30 DGEDHN CN(C[C@@H]1CC=CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348404050 434306928 /nfs/dbraw/zinc/30/69/28/434306928.db2.gz RVZLILWGFSBCGH-QZTJIDSGSA-N 0 3 307.397 3.055 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1 ZINC000365836576 434312703 /nfs/dbraw/zinc/31/27/03/434312703.db2.gz VLMVZDCRGQTNID-SFHVURJKSA-N 0 3 323.440 3.202 20 30 DGEDHN Cc1nn(C)cc1[C@H]1CCCN1CCCOc1ccc(C#N)cc1 ZINC000366066253 434323687 /nfs/dbraw/zinc/32/36/87/434323687.db2.gz HGGZQICHHNBKTO-LJQANCHMSA-N 0 3 324.428 3.206 20 30 DGEDHN O=C(CN1CCC[C@H]1C1CCC1)Nc1ccc2c(c1)OCO2 ZINC000328910322 434329404 /nfs/dbraw/zinc/32/94/04/434329404.db2.gz FNOVVSSADNHXOM-AWEZNQCLSA-N 0 3 302.374 3.268 20 30 DGEDHN C=CCC[C@@H](NCC(C)(C)C1(O)CCOCC1)c1ccco1 ZINC000417351088 434361266 /nfs/dbraw/zinc/36/12/66/434361266.db2.gz BAOUIFONPNZBOU-OAHLLOKOSA-N 0 3 307.434 3.444 20 30 DGEDHN C[C@]1(O)CCCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000366245729 434373262 /nfs/dbraw/zinc/37/32/62/434373262.db2.gz CQWJAAFMJSFOMF-SFHVURJKSA-N 0 3 302.418 3.106 20 30 DGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2conc2C2CC2)C1 ZINC000329220946 434375127 /nfs/dbraw/zinc/37/51/27/434375127.db2.gz UGNMCIZHKGCLNX-LBPRGKRZSA-N 0 3 305.422 3.367 20 30 DGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1conc1C1CC1 ZINC000329216340 434375573 /nfs/dbraw/zinc/37/55/73/434375573.db2.gz OHPGRAUORDOSFX-FRRDWIJNSA-N 0 3 305.422 3.223 20 30 DGEDHN C=CCC[C@H](N[C@H]1CCCN(c2ccnn2C)C1)c1ccco1 ZINC000287510781 434377088 /nfs/dbraw/zinc/37/70/88/434377088.db2.gz ODHJHBMBLYXDEZ-HOTGVXAUSA-N 0 3 314.433 3.279 20 30 DGEDHN C=CCC[C@@H](N[C@H]1CCCN(c2ccnn2C)C1)c1ccco1 ZINC000287510824 434377144 /nfs/dbraw/zinc/37/71/44/434377144.db2.gz ODHJHBMBLYXDEZ-JKSUJKDBSA-N 0 3 314.433 3.279 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000358231113 434389177 /nfs/dbraw/zinc/38/91/77/434389177.db2.gz OUVYEMQQGJUGOH-OIBJUYFYSA-N 0 3 322.233 3.167 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000450677095 434334762 /nfs/dbraw/zinc/33/47/62/434334762.db2.gz YIZHOVDOXPGBRT-HNAYVOBHSA-N 0 3 306.409 3.302 20 30 DGEDHN C=CC[C@H](C)[C@H](C)NCc1ccncc1OC[C@H]1CCOC1 ZINC000287367498 434343661 /nfs/dbraw/zinc/34/36/61/434343661.db2.gz OLHCUMMSSBKFLB-JYJNAYRXSA-N 0 3 304.434 3.187 20 30 DGEDHN Cc1c([C@H](C)NC(=O)[C@H]2CCCN2C2CCCC2)cnn1C ZINC000329033685 434345438 /nfs/dbraw/zinc/34/54/38/434345438.db2.gz QOSPHEYLRYOGFF-BLLLJJGKSA-N 0 3 304.438 3.153 20 30 DGEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C2CCCCC2)s1 ZINC000437871851 434357500 /nfs/dbraw/zinc/35/75/00/434357500.db2.gz VOOTVZBLXNFWLL-AWEZNQCLSA-N 0 3 317.458 3.147 20 30 DGEDHN CC[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000329425451 434409795 /nfs/dbraw/zinc/40/97/95/434409795.db2.gz IWCXMUKZRAHGBO-AAEUAGOBSA-N 0 3 323.462 3.157 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000295563762 434415785 /nfs/dbraw/zinc/41/57/85/434415785.db2.gz YCMHUMLDJVHQMB-KUHUBIRLSA-N 0 3 313.445 3.269 20 30 DGEDHN O=C(NCc1noc2c1CCCC2)[C@H]1CCCN1C1CCCC1 ZINC000329489749 434421021 /nfs/dbraw/zinc/42/10/21/434421021.db2.gz YNIFUZVLMGGBPX-MRXNPFEDSA-N 0 3 317.433 3.417 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC=C(C)C1)C(C)C ZINC000438214205 434436581 /nfs/dbraw/zinc/43/65/81/434436581.db2.gz KFWGKDRQGLCHLI-KRWDZBQOSA-N 0 3 305.466 3.047 20 30 DGEDHN C#CCOc1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000295833571 434438888 /nfs/dbraw/zinc/43/88/88/434438888.db2.gz ACSHSQCNKNTDSN-SFHVURJKSA-N 0 3 324.428 3.228 20 30 DGEDHN CC(C)(C)c1csc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)n1 ZINC000329804832 434483786 /nfs/dbraw/zinc/48/37/86/434483786.db2.gz AGMPXUMZLHREMH-SECBINFHSA-N 0 3 319.434 3.047 20 30 DGEDHN CC(C)(C)c1csc(NC(=O)N[C@@H]2CCc3[nH]cnc3C2)n1 ZINC000329804832 434483793 /nfs/dbraw/zinc/48/37/93/434483793.db2.gz AGMPXUMZLHREMH-SECBINFHSA-N 0 3 319.434 3.047 20 30 DGEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@H]1CCCCC12CCCC2 ZINC000329825633 434488399 /nfs/dbraw/zinc/48/83/99/434488399.db2.gz QYAUTMACYZADNP-CABCVRRESA-N 0 3 316.449 3.205 20 30 DGEDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000398108803 434457329 /nfs/dbraw/zinc/45/73/29/434457329.db2.gz CIURBLPNEPLADC-KXBFYZLASA-N 0 3 320.440 3.584 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000404741537 434519859 /nfs/dbraw/zinc/51/98/59/434519859.db2.gz BHJNFGKLTKQFLR-RYUDHWBXSA-N 0 3 321.396 3.089 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000367461468 434548849 /nfs/dbraw/zinc/54/88/49/434548849.db2.gz YFRBBQXGKWBTGG-QGZVFWFLSA-N 0 3 311.429 3.050 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)Cc1ccccc1F ZINC000348904981 434549469 /nfs/dbraw/zinc/54/94/69/434549469.db2.gz PIEHAMBRFNYHCR-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C#CCCOc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000368234061 434570452 /nfs/dbraw/zinc/57/04/52/434570452.db2.gz IUCSMIIHBFNAPM-IBGZPJMESA-N 0 3 313.441 3.337 20 30 DGEDHN COc1cc(CNCc2ccccc2-n2ccnc2)ccc1C#N ZINC000368522835 434576840 /nfs/dbraw/zinc/57/68/40/434576840.db2.gz RQJAIBBCQSNNPK-UHFFFAOYSA-N 0 3 318.380 3.042 20 30 DGEDHN CC(C)C1CCC(N2CCN(C(=O)CCCC#N)CC2)CC1 ZINC000360328629 434578356 /nfs/dbraw/zinc/57/83/56/434578356.db2.gz OTNXYWWGXXOITO-UHFFFAOYSA-N 0 3 305.466 3.039 20 30 DGEDHN CC1CCC(N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000360350306 434585799 /nfs/dbraw/zinc/58/57/99/434585799.db2.gz BEEAPWMSDDDCRR-UHFFFAOYSA-N 0 3 301.409 3.398 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439335475 434593928 /nfs/dbraw/zinc/59/39/28/434593928.db2.gz ZJBLULGINXMWEH-WMZOPIPTSA-N 0 3 313.445 3.017 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000424085168 434616850 /nfs/dbraw/zinc/61/68/50/434616850.db2.gz FOCAFNCWWMJRQH-CABCVRRESA-N 0 3 305.809 3.025 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000424110691 434625017 /nfs/dbraw/zinc/62/50/17/434625017.db2.gz ZIQCZZCSFLFAEV-IBGZPJMESA-N 0 3 321.424 3.283 20 30 DGEDHN CCCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424113750 434625147 /nfs/dbraw/zinc/62/51/47/434625147.db2.gz OIPCUZHPAFSRJC-DLBZAZTESA-N 0 3 317.433 3.064 20 30 DGEDHN N#CC(C(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccncn1 ZINC000439582183 434625635 /nfs/dbraw/zinc/62/56/35/434625635.db2.gz RIUUJSAVIAVIQI-SECBINFHSA-N 0 3 309.222 3.125 20 30 DGEDHN C=CCN1CC[C@H](N(CC)[C@@H](CC)Cc2ccccc2)C1=O ZINC000410410108 434645524 /nfs/dbraw/zinc/64/55/24/434645524.db2.gz GTAYDNVTVSAFSM-ROUUACIJSA-N 0 3 300.446 3.117 20 30 DGEDHN CC(C)(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424129223 434631184 /nfs/dbraw/zinc/63/11/84/434631184.db2.gz XOCCTBHWRRGTFH-HUUCEWRRSA-N 0 3 323.387 3.189 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(Cl)cc2)C(C)C)C1=O ZINC000410312208 434640030 /nfs/dbraw/zinc/64/00/30/434640030.db2.gz PBSDBYGMXLAXTO-HZPDHXFCSA-N 0 3 306.837 3.414 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(CC)cc2)C(C)C)C1=O ZINC000410418336 434643963 /nfs/dbraw/zinc/64/39/63/434643963.db2.gz NOBYWNZBLLJTMD-MSOLQXFVSA-N 0 3 300.446 3.323 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000424188888 434650171 /nfs/dbraw/zinc/65/01/71/434650171.db2.gz CPPCHVXNEKVJJZ-SOLBZPMBSA-N 0 3 300.402 3.026 20 30 DGEDHN CC(C)(C)OC(=O)C(C)(C)CCNCc1cc(C#N)cs1 ZINC000424186842 434651534 /nfs/dbraw/zinc/65/15/34/434651534.db2.gz IYECDIXHRPYTRT-UHFFFAOYSA-N 0 3 308.447 3.467 20 30 DGEDHN CCC(CC)(CNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000424189380 434653427 /nfs/dbraw/zinc/65/34/27/434653427.db2.gz NCPOAFVFIRCWCU-UHFFFAOYSA-N 0 3 306.406 3.389 20 30 DGEDHN CC(C)(C)OC(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424201353 434656721 /nfs/dbraw/zinc/65/67/21/434656721.db2.gz RTXXJHPPMMYUBC-XJKSGUPXSA-N 0 3 300.402 3.424 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000424199163 434657598 /nfs/dbraw/zinc/65/75/98/434657598.db2.gz PYXDMUKHUIAVSP-SWLSCSKDSA-N 0 3 300.793 3.308 20 30 DGEDHN C=CCn1cc(CN[C@H](C)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000424293598 434680837 /nfs/dbraw/zinc/68/08/37/434680837.db2.gz ISZNPUAZMRCJDF-GFCCVEGCSA-N 0 3 324.350 3.204 20 30 DGEDHN COc1cc(CNCC(C)(C)CC#N)c(SC)cc1OC ZINC000459735480 434683478 /nfs/dbraw/zinc/68/34/78/434683478.db2.gz SZGMUVUEGDNPGC-UHFFFAOYSA-N 0 3 308.447 3.455 20 30 DGEDHN C=CCn1cc(CN[C@H](Cc2ccccc2Cl)C2CC2)nn1 ZINC000424296665 434683751 /nfs/dbraw/zinc/68/37/51/434683751.db2.gz PEEYCCCQBRAQGQ-QGZVFWFLSA-N 0 3 316.836 3.228 20 30 DGEDHN COc1cc(CNC[C@@H](c2cccs2)N(C)C)ccc1C#N ZINC000440820816 434746140 /nfs/dbraw/zinc/74/61/40/434746140.db2.gz ZSGVRUFPWSAATL-HNNXBMFYSA-N 0 3 315.442 3.021 20 30 DGEDHN COc1cc(CNC[C@H](C)Oc2ccccc2C)ccc1C#N ZINC000440817065 434747641 /nfs/dbraw/zinc/74/76/41/434747641.db2.gz BNOXEFSTUAPNHJ-HNNXBMFYSA-N 0 3 310.397 3.432 20 30 DGEDHN C=CC(C)(C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000452771600 434709199 /nfs/dbraw/zinc/70/91/99/434709199.db2.gz AEIJWVSEOMVVHE-UHFFFAOYSA-N 0 3 300.402 3.436 20 30 DGEDHN Cc1ccnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000360863555 434713333 /nfs/dbraw/zinc/71/33/33/434713333.db2.gz FHACOKDEOFEQDR-MAUKXSAKSA-N 0 3 306.413 3.194 20 30 DGEDHN C=CCc1cc(CN[C@H]2C[C@H](OC)C23CCC3)cc(OC)c1O ZINC000459796045 434724764 /nfs/dbraw/zinc/72/47/64/434724764.db2.gz VZBRAUYBAOYBGH-IRXDYDNUSA-N 0 3 317.429 3.177 20 30 DGEDHN CCC[C@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C1CCC1 ZINC000459806521 434727119 /nfs/dbraw/zinc/72/71/19/434727119.db2.gz QPVJCAHZBMFAGA-HNNXBMFYSA-N 0 3 303.406 3.265 20 30 DGEDHN C=CCCC1(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000354379704 434741563 /nfs/dbraw/zinc/74/15/63/434741563.db2.gz GZLZTTDQQPKPPZ-UHFFFAOYSA-N 0 3 312.457 3.297 20 30 DGEDHN C=C(C)Cn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)C ZINC000460367615 434756748 /nfs/dbraw/zinc/75/67/48/434756748.db2.gz BPNOWPRGDQAJBN-GJZGRUSLSA-N 0 3 319.497 3.071 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC3(C2)CCCCC3)CC1 ZINC000371845464 434759154 /nfs/dbraw/zinc/75/91/54/434759154.db2.gz DUDKVMGESZRZKK-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419335750 434774216 /nfs/dbraw/zinc/77/42/16/434774216.db2.gz WGXGBLAAIPDDCP-OAGGEKHMSA-N 0 3 307.482 3.141 20 30 DGEDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442889144 434774350 /nfs/dbraw/zinc/77/43/50/434774350.db2.gz JDFCPXBJPKFLCI-LJQANCHMSA-N 0 3 324.424 3.340 20 30 DGEDHN C[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)C1 ZINC000443649870 434779976 /nfs/dbraw/zinc/77/99/76/434779976.db2.gz HQQKYDAABSXDFE-JKSUJKDBSA-N 0 3 305.466 3.039 20 30 DGEDHN CC(C)(C)CNC(=O)C(C)(C)NCCC1(C#N)CCCCC1 ZINC000411439815 434782626 /nfs/dbraw/zinc/78/26/26/434782626.db2.gz NKLGLTZVUWNGRF-UHFFFAOYSA-N 0 3 307.482 3.381 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC[C@H](C)N(C)C2CC2)CCCC1(C)C ZINC000445010322 434791235 /nfs/dbraw/zinc/79/12/35/434791235.db2.gz FXEPLBPWKDMVTP-GOEBONIOSA-N 0 3 307.482 3.245 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CC)(CC)C2)CC1 ZINC000445511177 434807320 /nfs/dbraw/zinc/80/73/20/434807320.db2.gz HULGTHWGFBRDGJ-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C[C@H]1CN(C2CCOCC2)CCN1CCC1(C#N)CCCCC1 ZINC000411657564 434812330 /nfs/dbraw/zinc/81/23/30/434812330.db2.gz UMHWALQEEBVAHF-KRWDZBQOSA-N 0 3 319.493 3.036 20 30 DGEDHN C=CCSCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411711293 434820631 /nfs/dbraw/zinc/82/06/31/434820631.db2.gz PXLPPPHBSVALJM-UHFFFAOYSA-N 0 3 318.486 3.322 20 30 DGEDHN CC(C)CC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000361242722 434840059 /nfs/dbraw/zinc/84/00/59/434840059.db2.gz GFHOMDIJQKEKBV-QGZVFWFLSA-N 0 3 316.445 3.199 20 30 DGEDHN CC(C)(C#N)CCCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000372676157 434846142 /nfs/dbraw/zinc/84/61/42/434846142.db2.gz SLYQQEVGYBGPKL-UHFFFAOYSA-N 0 3 319.493 3.431 20 30 DGEDHN CC(C)(C#N)CCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411980779 434851153 /nfs/dbraw/zinc/85/11/53/434851153.db2.gz JOHSYBMHFAPOPX-IBGZPJMESA-N 0 3 312.413 3.426 20 30 DGEDHN C=CCC[C@@H](O)CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995579 434851892 /nfs/dbraw/zinc/85/18/92/434851892.db2.gz DNTHXJPWLHNUBY-QZTJIDSGSA-N 0 3 301.430 3.167 20 30 DGEDHN COC1([C@H](C)NCc2cc(C#N)ccc2Br)CCC1 ZINC000412020893 434854584 /nfs/dbraw/zinc/85/45/84/434854584.db2.gz KRRXIJGXHLTHPM-NSHDSACASA-N 0 3 323.234 3.368 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461950342 434893315 /nfs/dbraw/zinc/89/33/15/434893315.db2.gz UEWJAWAZPZJRLW-UHFFFAOYSA-N 0 3 307.369 3.495 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462064829 434899742 /nfs/dbraw/zinc/89/97/42/434899742.db2.gz GMDCFSQGVJBMON-CRAIPNDOSA-N 0 3 313.445 3.042 20 30 DGEDHN N#CC1(c2ccccn2)CCN(CC2Cc3ccccc3C2)CC1 ZINC000573493966 434903218 /nfs/dbraw/zinc/90/32/18/434903218.db2.gz FTTGRBDQCBBMEC-UHFFFAOYSA-N 0 3 317.436 3.354 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2SC)CC1 ZINC000491821301 434866677 /nfs/dbraw/zinc/86/66/77/434866677.db2.gz VFISLEPQTOQWNG-UHFFFAOYSA-N 0 3 302.443 3.001 20 30 DGEDHN C[C@@H](Cc1ccsc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000573060984 434870845 /nfs/dbraw/zinc/87/08/45/434870845.db2.gz PYUYUPSSEFFOBW-XJKSGUPXSA-N 0 3 313.426 3.099 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#N)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000573930834 434937467 /nfs/dbraw/zinc/93/74/67/434937467.db2.gz DGCDYSGZNOGDMV-IRXDYDNUSA-N 0 3 320.440 3.048 20 30 DGEDHN CCCCN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000574147104 434953671 /nfs/dbraw/zinc/95/36/71/434953671.db2.gz PTXVJRAXHLPUCM-GOSISDBHSA-N 0 3 311.429 3.318 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC000463316524 434953950 /nfs/dbraw/zinc/95/39/50/434953950.db2.gz QHCFAQHNJGMAIA-KRWDZBQOSA-N 0 3 319.493 3.439 20 30 DGEDHN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CC#N)CC1 ZINC000555320290 434970000 /nfs/dbraw/zinc/97/00/00/434970000.db2.gz FGEXIACAVLPDKQ-UHFFFAOYSA-N 0 3 309.417 3.010 20 30 DGEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000554533721 434933149 /nfs/dbraw/zinc/93/31/49/434933149.db2.gz VCMIFOUXUVKURY-KRWDZBQOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCC[C@@H](NC[C@H](O)COc1ccccc1)c1ccco1 ZINC000556865312 435033479 /nfs/dbraw/zinc/03/34/79/435033479.db2.gz AACTUOUEAVMAKX-DOTOQJQBSA-N 0 3 301.386 3.316 20 30 DGEDHN CO[C@H](Cc1ccc(F)cc1)CN(C)Cc1ccc(C#N)cc1 ZINC000528340444 435022535 /nfs/dbraw/zinc/02/25/35/435022535.db2.gz KPBFMRQYFWMBCR-LJQANCHMSA-N 0 3 312.388 3.387 20 30 DGEDHN C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)cnc2C#N)CN1C1CC1 ZINC000574499944 434983729 /nfs/dbraw/zinc/98/37/29/434983729.db2.gz DFMUFRBPJHIQLR-GXSJLCMTSA-N 0 3 310.323 3.009 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000574525443 434985022 /nfs/dbraw/zinc/98/50/22/434985022.db2.gz WGXBQYGKJNYSCY-WDSOQIARSA-N 0 3 323.440 3.069 20 30 DGEDHN C=CCNC(=O)CN(CCC)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525126292 435005875 /nfs/dbraw/zinc/00/58/75/435005875.db2.gz WSFFJWIYJBXVOL-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN N#C[C@H]1CC[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000577625097 435060424 /nfs/dbraw/zinc/06/04/24/435060424.db2.gz UAVJZOVQQWSYBD-MAUKXSAKSA-N 0 3 311.429 3.095 20 30 DGEDHN C=CCCN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000466641072 435086285 /nfs/dbraw/zinc/08/62/85/435086285.db2.gz KFICASCJHRPIII-KRWDZBQOSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](O)CC23CCC3)cc(OC)c1O ZINC000575792740 435051324 /nfs/dbraw/zinc/05/13/24/435051324.db2.gz PBQDSPDWVDJHLF-INIZCTEOSA-N 0 3 317.429 3.009 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000575772029 435051775 /nfs/dbraw/zinc/05/17/75/435051775.db2.gz ZENQNDUODFVOFL-FUHWJXTLSA-N 0 3 322.412 3.236 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1COCc2ccccc21 ZINC000576728762 435056785 /nfs/dbraw/zinc/05/67/85/435056785.db2.gz XVLZIDAHNUKYBZ-LPHOPBHVSA-N 0 3 320.392 3.147 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000466787757 435093431 /nfs/dbraw/zinc/09/34/31/435093431.db2.gz OCQWQVMHMPOEEM-SFHVURJKSA-N 0 3 315.461 3.115 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000467359483 435118116 /nfs/dbraw/zinc/11/81/16/435118116.db2.gz SIWIEDGATOEWTQ-UHFFFAOYSA-N 0 3 304.478 3.479 20 30 DGEDHN COc1ccc(OC)c([C@@H](C)NCCc2cccc(C#N)c2)c1 ZINC000467458582 435122379 /nfs/dbraw/zinc/12/23/79/435122379.db2.gz YQRSEPQRPTXJSB-CQSZACIVSA-N 0 3 310.397 3.469 20 30 DGEDHN CC(C)C[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000469152299 435129202 /nfs/dbraw/zinc/12/92/02/435129202.db2.gz YUQJKQPNFNWONF-DLBZAZTESA-N 0 3 319.493 3.476 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000532124166 435142873 /nfs/dbraw/zinc/14/28/73/435142873.db2.gz BOUGWKMGQBQTPI-CYBMUJFWSA-N 0 3 315.360 3.056 20 30 DGEDHN N#Cc1ccnc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000580066667 435202221 /nfs/dbraw/zinc/20/22/21/435202221.db2.gz LGEQMQBXIXSXCI-MRXNPFEDSA-N 0 3 310.426 3.105 20 30 DGEDHN C=CCCCCCN(C)CC(=O)NC(=O)Nc1ccccc1 ZINC000532968226 435203956 /nfs/dbraw/zinc/20/39/56/435203956.db2.gz YNFRUGBHBLQGQY-UHFFFAOYSA-N 0 3 303.406 3.013 20 30 DGEDHN C[C@@H]1C[C@H](C)N(CCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495896078 435205364 /nfs/dbraw/zinc/20/53/64/435205364.db2.gz IUKFVPMYKQKSOI-QLFBSQMISA-N 0 3 309.454 3.161 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC000495730378 435206483 /nfs/dbraw/zinc/20/64/83/435206483.db2.gz QBUTUGWXWSTLIP-JJXSEGSLSA-N 0 3 319.449 3.010 20 30 DGEDHN CC(C)C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000475910765 435214913 /nfs/dbraw/zinc/21/49/13/435214913.db2.gz KNHADTGMXXZVAX-QGZVFWFLSA-N 0 3 315.461 3.194 20 30 DGEDHN Cn1cc(CN2CCC(CC#N)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000561598712 435225234 /nfs/dbraw/zinc/22/52/34/435225234.db2.gz FZQVSGRFBJBLKA-UHFFFAOYSA-N 0 3 319.412 3.084 20 30 DGEDHN C[C@H]1C[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)CO1 ZINC000580430703 435232967 /nfs/dbraw/zinc/23/29/67/435232967.db2.gz RKBBUCHUBANDOD-HNAYVOBHSA-N 0 3 322.408 3.404 20 30 DGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1 ZINC000582261292 435239106 /nfs/dbraw/zinc/23/91/06/435239106.db2.gz IOIMRGSPXPWGAF-QGZVFWFLSA-N 0 3 315.461 3.154 20 30 DGEDHN Cc1sc(NC(=O)CN(CC2CC2)C(C)C)c(C#N)c1C ZINC000533494995 435239771 /nfs/dbraw/zinc/23/97/71/435239771.db2.gz QBMRIIXVQNCVSC-UHFFFAOYSA-N 0 3 305.447 3.296 20 30 DGEDHN C=CCN(CCCC(=O)Nc1ccccc1C(C)=O)C1CC1 ZINC000583448887 435242960 /nfs/dbraw/zinc/24/29/60/435242960.db2.gz TZOWRXXSMYHTOH-UHFFFAOYSA-N 0 3 300.402 3.258 20 30 DGEDHN N#CCCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000496725724 435246515 /nfs/dbraw/zinc/24/65/15/435246515.db2.gz ZRLHPGXBUBFLPS-KRWDZBQOSA-N 0 3 313.401 3.028 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000496261491 298365325 /nfs/dbraw/zinc/36/53/25/298365325.db2.gz GCESBZKLACBEAM-KFWWJZLASA-N 0 3 307.438 3.152 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCSC1 ZINC000583907792 435253979 /nfs/dbraw/zinc/25/39/79/435253979.db2.gz YMFKTPUARNHIRN-HOTGVXAUSA-N 0 3 302.443 3.018 20 30 DGEDHN CC(=O)c1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000563546747 435267520 /nfs/dbraw/zinc/26/75/20/435267520.db2.gz BMNKRGXGGFLSON-IBGZPJMESA-N 0 3 320.392 3.278 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cncnc1C)C(C)C ZINC000563416005 435268673 /nfs/dbraw/zinc/26/86/73/435268673.db2.gz FHNWZZUPXMRWET-CRAIPNDOSA-N 0 3 302.466 3.134 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CCC2(C)C)c1C ZINC000565488717 435280215 /nfs/dbraw/zinc/28/02/15/435280215.db2.gz DXNKPGYRIVTBEZ-KRWDZBQOSA-N 0 3 313.445 3.328 20 30 DGEDHN CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000566680444 435287452 /nfs/dbraw/zinc/28/74/52/435287452.db2.gz GVTNKHRMWKOPRA-QZTJIDSGSA-N 0 3 313.445 3.495 20 30 DGEDHN Cc1csc(NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000567176426 435293068 /nfs/dbraw/zinc/29/30/68/435293068.db2.gz FAPNKPBMWKMTON-AAEUAGOBSA-N 0 3 320.462 3.170 20 30 DGEDHN CC[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000506437151 435308120 /nfs/dbraw/zinc/30/81/20/435308120.db2.gz ACHIUGVSFXVUIR-SFHVURJKSA-N 0 3 320.440 3.269 20 30 DGEDHN CN(CCN[C@H]1CCc2ccc(C#N)cc21)C(=O)OC(C)(C)C ZINC000496850969 435263084 /nfs/dbraw/zinc/26/30/84/435263084.db2.gz GNZCJVGRFKPGPA-INIZCTEOSA-N 0 3 315.417 3.002 20 30 DGEDHN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])ccc1C#N ZINC000511126714 435315929 /nfs/dbraw/zinc/31/59/29/435315929.db2.gz REECJJZEKGDEEI-UHFFFAOYSA-N 0 3 309.369 3.449 20 30 DGEDHN C=C(CNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000479394908 435330065 /nfs/dbraw/zinc/33/00/65/435330065.db2.gz ULXINXHNTXTVBY-NVXWUHKLSA-N 0 3 315.461 3.119 20 30 DGEDHN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C(C)C#N ZINC000479747707 435351074 /nfs/dbraw/zinc/35/10/74/435351074.db2.gz CAWFBLBCEUIJCF-AAEUAGOBSA-N 0 3 323.234 3.388 20 30 DGEDHN C=CCOCCCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000568177452 435401416 /nfs/dbraw/zinc/40/14/16/435401416.db2.gz WJHYEXYOYZZWIA-UHFFFAOYSA-N 0 3 310.825 3.171 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC)c(C)c2)CC1 ZINC000536722695 435409385 /nfs/dbraw/zinc/40/93/85/435409385.db2.gz RQCIQQZSALFYAY-UHFFFAOYSA-N 0 3 301.434 3.329 20 30 DGEDHN Cc1cc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c(C#N)cn1 ZINC000515056034 435458110 /nfs/dbraw/zinc/45/81/10/435458110.db2.gz YZPKBBGMHFXXQT-KRWDZBQOSA-N 0 3 314.820 3.052 20 30 DGEDHN C=C[C@H](CC(=O)N(CCC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000648999025 435481141 /nfs/dbraw/zinc/48/11/41/435481141.db2.gz XKEYDZXINROQTK-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481396353 435425258 /nfs/dbraw/zinc/42/52/58/435425258.db2.gz BZQCKMJEYIDRBZ-XHDPSFHLSA-N 0 3 305.809 3.271 20 30 DGEDHN Clc1cccc(C#CCN2CCC[C@H](n3ccnn3)CC2)c1 ZINC000639819785 435432618 /nfs/dbraw/zinc/43/26/18/435432618.db2.gz ZCHLBVLNOVRGIM-KRWDZBQOSA-N 0 3 314.820 3.010 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000537270440 435434933 /nfs/dbraw/zinc/43/49/33/435434933.db2.gz CPYXGXBRHIFWNX-HNNXBMFYSA-N 0 3 321.465 3.406 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1ccccc1)N(CC)CC)C1CC1 ZINC000538958153 435530945 /nfs/dbraw/zinc/53/09/45/435530945.db2.gz IAENNOVZRFRVAW-GOSISDBHSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1CCc1ccccc1 ZINC000515554327 435493128 /nfs/dbraw/zinc/49/31/28/435493128.db2.gz WXRRPWFIABJBIB-IBGZPJMESA-N 0 3 312.457 3.284 20 30 DGEDHN CN(C)CCN(CCC1(C#N)CCCCC1)Cc1ccccn1 ZINC000516935320 435561270 /nfs/dbraw/zinc/56/12/70/435561270.db2.gz SSDFEEBWEJVUPN-UHFFFAOYSA-N 0 3 314.477 3.309 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(Br)cc1Cl ZINC000539228427 435542551 /nfs/dbraw/zinc/54/25/51/435542551.db2.gz CYGPCKLLSVSIIM-JTQLQIEISA-N 0 3 318.642 3.377 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000517773222 435612693 /nfs/dbraw/zinc/61/26/93/435612693.db2.gz WECCPTSGNXKOMB-FUHWJXTLSA-N 0 3 313.445 3.033 20 30 DGEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCCC2)c(OC(F)F)c1 ZINC000541052676 435634013 /nfs/dbraw/zinc/63/40/13/435634013.db2.gz CLYZPBUWLDPFHI-HNNXBMFYSA-N 0 3 324.371 3.190 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000540487704 435603743 /nfs/dbraw/zinc/60/37/43/435603743.db2.gz KJDUYJQXMHJAMJ-WMZOPIPTSA-N 0 3 315.461 3.305 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)CC(C)(C)C1 ZINC000541324041 435640755 /nfs/dbraw/zinc/64/07/55/435640755.db2.gz HXVGRBUXXZCMCT-CABCVRRESA-N 0 3 305.466 3.086 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)ccc1OC ZINC000541891219 435646118 /nfs/dbraw/zinc/64/61/18/435646118.db2.gz YOLYWOYUQIKRLX-NVXWUHKLSA-N 0 3 319.445 3.243 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000490574966 435662478 /nfs/dbraw/zinc/66/24/78/435662478.db2.gz IIFAEKVZZRUWTO-UXHICEINSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN(CCc1ccco1)CCc1ccc([N+](=O)[O-])cc1 ZINC000491365644 435738703 /nfs/dbraw/zinc/73/87/03/435738703.db2.gz FHRDMHNOHLMSQA-UHFFFAOYSA-N 0 3 300.358 3.461 20 30 DGEDHN C[C@H]1C[C@H](CN2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000495902951 300491006 /nfs/dbraw/zinc/49/10/06/300491006.db2.gz LADRFMXMOTYYQX-GOEBONIOSA-N 0 3 321.465 3.258 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cn(-c2ccccc2Cl)nc1C ZINC000655789913 435800467 /nfs/dbraw/zinc/80/04/67/435800467.db2.gz AUQNXTXZJPPTBK-HNNXBMFYSA-N 0 3 319.836 3.251 20 30 DGEDHN C=CC[C@@H]1CC[C@H](N[C@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000651732636 435808938 /nfs/dbraw/zinc/80/89/38/435808938.db2.gz BPOMYSARPLHRGM-PMPSAXMXSA-N 0 3 314.429 3.135 20 30 DGEDHN C[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1CCCOC1 ZINC000491800452 435814534 /nfs/dbraw/zinc/81/45/34/435814534.db2.gz BVPHRUSZVWKOOH-YPMHNXCESA-N 0 3 323.234 3.225 20 30 DGEDHN C#CCN(C)CCCNC(=S)Nc1ccc2ccccc2c1 ZINC000491619178 435780314 /nfs/dbraw/zinc/78/03/14/435780314.db2.gz BPXDFFMKMHSDKA-UHFFFAOYSA-N 0 3 311.454 3.081 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(C)CCN2CCCCC2)c1 ZINC000650007386 435785411 /nfs/dbraw/zinc/78/54/11/435785411.db2.gz NTPLOTBHGIOYLE-UHFFFAOYSA-N 0 3 317.433 3.201 20 30 DGEDHN CC[C@@H]1CN(C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000572583441 435842728 /nfs/dbraw/zinc/84/27/28/435842728.db2.gz OVRJHKLNYFPHST-MRXNPFEDSA-N 0 3 310.363 3.083 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1OC ZINC000652062371 435900255 /nfs/dbraw/zinc/90/02/55/435900255.db2.gz HLLHSYOGBDAVQP-MRXNPFEDSA-N 0 3 309.356 3.491 20 30 DGEDHN C=C(C)CCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000656155738 435903687 /nfs/dbraw/zinc/90/36/87/435903687.db2.gz ZPTIPHAOCBPUCN-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CC(C)(C)CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000656172523 435905623 /nfs/dbraw/zinc/90/56/23/435905623.db2.gz JHIKIQRNPBXVMJ-KRWDZBQOSA-N 0 3 315.461 3.115 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000665386045 435964106 /nfs/dbraw/zinc/96/41/06/435964106.db2.gz NXJGWFZMMOMJRB-ZIFCJYIRSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000661116528 435969699 /nfs/dbraw/zinc/96/96/99/435969699.db2.gz YSIVOICJVMMMQD-OLZOCXBDSA-N 0 3 319.474 3.295 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(=O)n2c(C)csc2n1 ZINC000661118102 435972279 /nfs/dbraw/zinc/97/22/79/435972279.db2.gz WOHOGQQBKVNWMT-DZGCQCFKSA-N 0 3 317.458 3.289 20 30 DGEDHN C=CCCC1(CN[C@@H](C(N)=O)c2ccc(F)cc2)CCCC1 ZINC000656679134 436004568 /nfs/dbraw/zinc/00/45/68/436004568.db2.gz FTFUFHIBZAAJHG-MRXNPFEDSA-N 0 3 304.409 3.468 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccccc1SC)[C@H](C)COC ZINC000661244477 436006700 /nfs/dbraw/zinc/00/67/00/436006700.db2.gz UWVBFWLVKRNATB-CQSZACIVSA-N 0 3 322.474 3.260 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)OCO2)c1nc(C2CC2)cs1 ZINC000647371453 436034404 /nfs/dbraw/zinc/03/44/04/436034404.db2.gz QVZIIPKOLRFFTD-NSHDSACASA-N 0 3 312.350 3.239 20 30 DGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000661378275 436049459 /nfs/dbraw/zinc/04/94/59/436049459.db2.gz BMALSJHAFAOLTG-GJZGRUSLSA-N 0 3 318.486 3.309 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000661526846 436099650 /nfs/dbraw/zinc/09/96/50/436099650.db2.gz KCQLQWMXWZZQPI-HDMKZQKVSA-N 0 3 300.446 3.118 20 30 DGEDHN O[C@]1(C2CC2)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000661630143 436127319 /nfs/dbraw/zinc/12/73/19/436127319.db2.gz TVVYJHYROPZFIY-QGZVFWFLSA-N 0 3 323.358 3.294 20 30 DGEDHN C=CCN(CC(=O)N[C@H](C)c1ccccc1OC)C(C)(C)C ZINC000661754829 436179953 /nfs/dbraw/zinc/17/99/53/436179953.db2.gz CJFBNDCCHYXEPT-CQSZACIVSA-N 0 3 304.434 3.159 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)nn1 ZINC000657442656 436204931 /nfs/dbraw/zinc/20/49/31/436204931.db2.gz UKSGIVLASQPNLX-QZTJIDSGSA-N 0 3 310.445 3.355 20 30 DGEDHN C=CCC1(NCC(=O)Nc2nnc(CCCC)s2)CCCC1 ZINC000661852045 436212134 /nfs/dbraw/zinc/21/21/34/436212134.db2.gz IPBKEVQKWKHGIN-UHFFFAOYSA-N 0 3 322.478 3.298 20 30 DGEDHN C=CCC1(NCc2cc(=O)n3c(C)csc3n2)CCCC1 ZINC000661865559 436216281 /nfs/dbraw/zinc/21/62/81/436216281.db2.gz QVZGPQIXJWLVQC-UHFFFAOYSA-N 0 3 303.431 3.043 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000662080659 436268975 /nfs/dbraw/zinc/26/89/75/436268975.db2.gz PREMCIBIIHIXEP-ZIFCJYIRSA-N 0 3 310.441 3.363 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000662083092 436269890 /nfs/dbraw/zinc/26/98/90/436269890.db2.gz ZXDHCLVGZFXBQR-JCGIZDLHSA-N 0 3 316.420 3.056 20 30 DGEDHN C=CCOCCCNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000657658464 436270571 /nfs/dbraw/zinc/27/05/71/436270571.db2.gz ZDGKNYJYZLWHLH-UHFFFAOYSA-N 0 3 317.408 3.311 20 30 DGEDHN C=CCOc1ccc(CNC[C@H]2CCC[C@@H](C)O2)cc1OC ZINC000657666737 436273257 /nfs/dbraw/zinc/27/32/57/436273257.db2.gz SWCNCSYMSSUWEA-GDBMZVCRSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCCC1(CNC(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)CCCC1 ZINC000662620756 436370352 /nfs/dbraw/zinc/37/03/52/436370352.db2.gz QLCYOFJHPVQHBX-KXBFYZLASA-N 0 3 322.493 3.162 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659262064 436484787 /nfs/dbraw/zinc/48/47/87/436484787.db2.gz HUPOYHALVJEFAZ-LJQANCHMSA-N 0 3 306.409 3.436 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000655577578 436563778 /nfs/dbraw/zinc/56/37/78/436563778.db2.gz WQIUHIUQBRVYEV-MRXNPFEDSA-N 0 3 305.466 3.049 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000248821291 303158210 /nfs/dbraw/zinc/15/82/10/303158210.db2.gz LJHFRHLJVXHBNQ-BRWVUGGUSA-N 0 3 301.434 3.479 20 30 DGEDHN Cc1cc(CNC[C@@H](c2ccco2)N2CCCC2)ccc1C#N ZINC000443981514 533698625 /nfs/dbraw/zinc/69/86/25/533698625.db2.gz OPFAQZFMEXFKMV-SFHVURJKSA-N 0 3 309.413 3.386 20 30 DGEDHN C[C@H]1CC(F)(F)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000528766763 313077308 /nfs/dbraw/zinc/07/73/08/313077308.db2.gz HVRDHAIOQOYYFR-LBPRGKRZSA-N 0 3 307.344 3.006 20 30 DGEDHN CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543034233 314110564 /nfs/dbraw/zinc/11/05/64/314110564.db2.gz GGLIQICUEHXHML-GJZGRUSLSA-N 0 3 321.424 3.400 20 30 DGEDHN C[C@@H](N[C@H]1CCn2ccnc2C1)c1ccc(C#N)cc1Cl ZINC000555788498 314736121 /nfs/dbraw/zinc/73/61/21/314736121.db2.gz KUONZZYJKUDLAF-YPMHNXCESA-N 0 3 300.793 3.074 20 30 DGEDHN Cc1csc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000565163662 315236698 /nfs/dbraw/zinc/23/66/98/315236698.db2.gz QXJRGAWJLGFSTQ-QWHCGFSZSA-N 0 3 318.446 3.019 20 30 DGEDHN Cc1csc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C#N ZINC000565164740 315236909 /nfs/dbraw/zinc/23/69/09/315236909.db2.gz UXIIGUFZQXCZRF-GFCCVEGCSA-N 0 3 320.462 3.122 20 30 DGEDHN Cc1cccc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000183724527 323346592 /nfs/dbraw/zinc/34/65/92/323346592.db2.gz HTSBVNDQJANQGH-OAHLLOKOSA-N 0 3 307.397 3.464 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1cc(C#N)cs1 ZINC000387676534 323647582 /nfs/dbraw/zinc/64/75/82/323647582.db2.gz RBTSQCRIDNMDIZ-GFCCVEGCSA-N 0 3 323.462 3.355 20 30 DGEDHN Cc1cc(CNCc2ccc(Cn3cccn3)cc2)ccc1C#N ZINC000443991933 533706748 /nfs/dbraw/zinc/70/67/48/533706748.db2.gz XGXBWGJQDMERSL-UHFFFAOYSA-N 0 3 316.408 3.401 20 30 DGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1scc(C)c1C#N ZINC000581229761 324091712 /nfs/dbraw/zinc/09/17/12/324091712.db2.gz XRZVNRNWZXNPGI-OLZOCXBDSA-N 0 3 318.446 3.019 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2cccc(F)c2)CCCCC1 ZINC000518735331 332138893 /nfs/dbraw/zinc/13/88/93/332138893.db2.gz LOOOVMUUWNEKCY-HNNXBMFYSA-N 0 3 318.436 3.308 20 30 DGEDHN C=CCCCCCN(C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000150895417 332197850 /nfs/dbraw/zinc/19/78/50/332197850.db2.gz ODKCHWCDDOPVFW-UHFFFAOYSA-N 0 3 324.490 3.115 20 30 DGEDHN C=CCNC(=O)[C@@H](C)S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564966262 332310108 /nfs/dbraw/zinc/31/01/08/332310108.db2.gz MWOKYJWJSIMYPK-WBVHZDCISA-N 0 3 318.486 3.075 20 30 DGEDHN C=CCCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000560186348 332317674 /nfs/dbraw/zinc/31/76/74/332317674.db2.gz RGWSKCPPBRAVBG-UHFFFAOYSA-N 0 3 304.409 3.330 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000583383388 332376980 /nfs/dbraw/zinc/37/69/80/332376980.db2.gz CDCZFWHYXSMFJT-IEBWSBKVSA-N 0 3 319.408 3.170 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000185030589 335108445 /nfs/dbraw/zinc/10/84/45/335108445.db2.gz BKAGPUDOQBDMBJ-AWEZNQCLSA-N 0 3 304.459 3.051 20 30 DGEDHN C=CCC(C)(C)CNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000293718547 335112471 /nfs/dbraw/zinc/11/24/71/335112471.db2.gz GIWOBEWHSOQJPB-LSDHHAIUSA-N 0 3 301.386 3.009 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(CCOc2ccccc2)CC1 ZINC000162869918 332948468 /nfs/dbraw/zinc/94/84/68/332948468.db2.gz JUFNKOVNZCKYHS-UHFFFAOYSA-N 0 3 315.461 3.013 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000188220949 333361291 /nfs/dbraw/zinc/36/12/91/333361291.db2.gz NKHVQRUGAAZAKG-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000188411021 333365850 /nfs/dbraw/zinc/36/58/50/333365850.db2.gz WQSONJJPKDZMNX-HKUYNNGSSA-N 0 3 300.446 3.370 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000272045649 334030241 /nfs/dbraw/zinc/03/02/41/334030241.db2.gz PHSYBPQPWJCJQV-RBUKOAKNSA-N 0 3 313.445 3.090 20 30 DGEDHN C[C@H](NCCOCCC#N)c1ccc(Br)cc1F ZINC000293598054 334199553 /nfs/dbraw/zinc/19/95/53/334199553.db2.gz OTZBUHQSFDMVGB-JTQLQIEISA-N 0 3 315.186 3.169 20 30 DGEDHN C[C@H](Cc1ccccc1C(F)(F)F)N(C)CCOCCC#N ZINC000293630125 334200024 /nfs/dbraw/zinc/20/00/24/334200024.db2.gz QZBBTFLWCVPZHF-CYBMUJFWSA-N 0 3 314.351 3.498 20 30 DGEDHN COc1ccccc1O[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000293732120 334201481 /nfs/dbraw/zinc/20/14/81/334201481.db2.gz ZHXIYDAIDSRHIC-BZUAXINKSA-N 0 3 300.402 3.231 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297539943 334242364 /nfs/dbraw/zinc/24/23/64/334242364.db2.gz OSIVNNHVEZEBCS-QZTJIDSGSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCCCN1CC ZINC000111510027 334334872 /nfs/dbraw/zinc/33/48/72/334334872.db2.gz GMKFGNMJKOUWPT-OAHLLOKOSA-N 0 3 321.490 3.320 20 30 DGEDHN N#CCCCNC1(c2cccc(Br)c2)CCOCC1 ZINC000065604415 334349177 /nfs/dbraw/zinc/34/91/77/334349177.db2.gz VEHXZHDVGHRIGE-UHFFFAOYSA-N 0 3 323.234 3.348 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C2CC2)cn1 ZINC000532040455 334382151 /nfs/dbraw/zinc/38/21/51/334382151.db2.gz MQQPHDBWQBUALE-AWEZNQCLSA-N 0 3 316.364 3.336 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C)c2Cl)CC1 ZINC000072579575 334882705 /nfs/dbraw/zinc/88/27/05/334882705.db2.gz VAUKBIXWNDKCOM-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cncc(CC)c1)C(C)C ZINC000344680900 335266063 /nfs/dbraw/zinc/26/60/63/335266063.db2.gz QNJADQLUFDQJAH-SFHVURJKSA-N 0 3 315.461 3.072 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(C)(C)OC ZINC000532640972 336264401 /nfs/dbraw/zinc/26/44/01/336264401.db2.gz KANZOYHKVHIRHC-AWEZNQCLSA-N 0 3 324.490 3.008 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncnc3c(F)cccc23)CC1 ZINC000302879574 336373044 /nfs/dbraw/zinc/37/30/44/336373044.db2.gz HAZYYQAXIADPLH-UHFFFAOYSA-N 0 3 300.381 3.221 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(C)n1)C(C)C ZINC000360893570 336726084 /nfs/dbraw/zinc/72/60/84/336726084.db2.gz MIKKDOHWJGRYGQ-INIZCTEOSA-N 0 3 316.449 3.210 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000302809362 336928311 /nfs/dbraw/zinc/92/83/11/336928311.db2.gz KCVULTHEDYSCBI-ZACQAIPSSA-N 0 3 313.445 3.300 20 30 DGEDHN C[C@]1(NCc2cccc(OCCCC#N)c2)CCO[C@@H]1C1CC1 ZINC000378650981 337077718 /nfs/dbraw/zinc/07/77/18/337077718.db2.gz PTPANXIWLVESBP-MOPGFXCFSA-N 0 3 314.429 3.416 20 30 DGEDHN CC(C)CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424122524 337747701 /nfs/dbraw/zinc/74/77/01/337747701.db2.gz JNROBVAVVPGFHI-INIZCTEOSA-N 0 3 303.406 3.071 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449700005 338647035 /nfs/dbraw/zinc/64/70/35/338647035.db2.gz RYJBAHQHMLMDAN-AWEZNQCLSA-N 0 3 316.357 3.272 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2C)C(C)(C)C)C1=O ZINC000499611299 340040897 /nfs/dbraw/zinc/04/08/97/340040897.db2.gz NTKRQOOGRPXGEG-IAGOWNOFSA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](C)C2(c3ccccc3)CCCC2)C1=O ZINC000499632228 340041715 /nfs/dbraw/zinc/04/17/15/340041715.db2.gz DOJUCRHQVGHGCJ-WMZOPIPTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CC[C@H](N(C)CCCc2cccc3ccccc32)C1=O ZINC000499934219 340047191 /nfs/dbraw/zinc/04/71/91/340047191.db2.gz FZEVGILQDPKPEB-FQEVSTJZSA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1C)C(C)C ZINC000503439245 340128369 /nfs/dbraw/zinc/12/83/69/340128369.db2.gz QRKAUCCWRRUHFZ-IRXDYDNUSA-N 0 3 307.482 3.269 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C(C)C)no1)C(C)C ZINC000505517360 340170098 /nfs/dbraw/zinc/17/00/98/340170098.db2.gz YHPDLEKQSCBGGO-INIZCTEOSA-N 0 3 319.449 3.226 20 30 DGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N(CC)CC ZINC000505693200 340175052 /nfs/dbraw/zinc/17/50/52/340175052.db2.gz DCHPTXHBNLVVLT-CABCVRRESA-N 0 3 307.825 3.141 20 30 DGEDHN C=CCN(C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1 ZINC000508892116 340255270 /nfs/dbraw/zinc/25/52/70/340255270.db2.gz HWLJTQRBVKAJHZ-CRAIPNDOSA-N 0 3 315.461 3.346 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000509585064 340274202 /nfs/dbraw/zinc/27/42/02/340274202.db2.gz FBVFSDACCJUCQC-XHSDSOJGSA-N 0 3 319.449 3.459 20 30 DGEDHN C[C@@H]1CSC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000512192724 340351694 /nfs/dbraw/zinc/35/16/94/340351694.db2.gz BNEJQEFKHLKNSE-BXUZGUMPSA-N 0 3 315.360 3.278 20 30 DGEDHN CC(C)(O)[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000305742610 340388017 /nfs/dbraw/zinc/38/80/17/340388017.db2.gz NYRWUJWZWGKLKG-HNNXBMFYSA-N 0 3 311.347 3.292 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000176694879 340430327 /nfs/dbraw/zinc/43/03/27/340430327.db2.gz ANFYOVKHNBPBTL-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000522083290 340569837 /nfs/dbraw/zinc/56/98/37/340569837.db2.gz KRKYKBKQZFNWSW-HZPDHXFCSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(Cl)cc1Br ZINC000538124120 340810578 /nfs/dbraw/zinc/81/05/78/340810578.db2.gz IFAMSTNQSBKYST-SNVBAGLBSA-N 0 3 318.642 3.377 20 30 DGEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccc(CC)cc1 ZINC000538257757 340815221 /nfs/dbraw/zinc/81/52/21/340815221.db2.gz JEFKGPCUPOQUBG-UHFFFAOYSA-N 0 3 300.446 3.274 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)NCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000539260493 340878873 /nfs/dbraw/zinc/87/88/73/340878873.db2.gz BZVODQSSOZXXFZ-ZSZQSSIHSA-N 0 3 313.445 3.092 20 30 DGEDHN CCOCc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000542854214 341023695 /nfs/dbraw/zinc/02/36/95/341023695.db2.gz ORIQGCRJGCHVKW-UHFFFAOYSA-N 0 3 302.418 3.357 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(C2CC2)c1 ZINC000543059027 341029737 /nfs/dbraw/zinc/02/97/37/341029737.db2.gz MNQHCUAUYMLGRQ-CQSZACIVSA-N 0 3 316.364 3.336 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1C1CC1 ZINC000543210543 341037042 /nfs/dbraw/zinc/03/70/42/341037042.db2.gz WMVKSKYPMDTFJH-CQSZACIVSA-N 0 3 316.364 3.336 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](CC(C)C)C2)CC1 ZINC000074130158 341129487 /nfs/dbraw/zinc/12/94/87/341129487.db2.gz NLIHKCZUSJWIMJ-MRXNPFEDSA-N 0 3 307.482 3.105 20 30 DGEDHN C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1CO ZINC000132855014 341147484 /nfs/dbraw/zinc/14/74/84/341147484.db2.gz HSROFJADNFUUBX-XJKSGUPXSA-N 0 3 311.347 3.150 20 30 DGEDHN C=CCNC(=O)CN[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000133310330 341172269 /nfs/dbraw/zinc/17/22/69/341172269.db2.gz BLEUCJZQJUKRBL-FQEVSTJZSA-N 0 3 322.452 3.122 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000079292505 341256343 /nfs/dbraw/zinc/25/63/43/341256343.db2.gz AZHDUCUDKXYBAJ-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246207958 341333737 /nfs/dbraw/zinc/33/37/37/341333737.db2.gz NLMSUWHVWSNTQI-QKPAOTATSA-N 0 3 321.465 3.304 20 30 DGEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247142423 341361451 /nfs/dbraw/zinc/36/14/51/341361451.db2.gz XWEVBKCTOCFYAH-RTBURBONSA-N 0 3 313.445 3.124 20 30 DGEDHN N#CCCN(C(=O)CN1CCC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000247457929 341365244 /nfs/dbraw/zinc/36/52/44/341365244.db2.gz ICEPUTVDLKFFOQ-FUHWJXTLSA-N 0 3 311.429 3.198 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000248874527 341388945 /nfs/dbraw/zinc/38/89/45/341388945.db2.gz IXJQOESQKFWJHQ-VGOVLVCLSA-N 0 3 306.356 3.467 20 30 DGEDHN COc1ccc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000566927581 341572013 /nfs/dbraw/zinc/57/20/13/341572013.db2.gz HNJLLNVOYRNPCG-CABCVRRESA-N 0 3 300.402 3.231 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000171722987 341783634 /nfs/dbraw/zinc/78/36/34/341783634.db2.gz MJGMUOBNSPPXCR-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN CC1(C#N)CCC(NCc2ccn(Cc3ccccc3)n2)CC1 ZINC000577146630 341890321 /nfs/dbraw/zinc/89/03/21/341890321.db2.gz MCEOPMPGXHDVST-UHFFFAOYSA-N 0 3 308.429 3.493 20 30 DGEDHN COc1ccc2[nH]c3c(c2c1)C[C@@H](NCC1(C#N)CCC1)CC3 ZINC000577475401 341911410 /nfs/dbraw/zinc/91/14/10/341911410.db2.gz WNHQPMKUAQNRQF-ZDUSSCGKSA-N 0 3 309.413 3.317 20 30 DGEDHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618787690 500765921 /nfs/dbraw/zinc/76/59/21/500765921.db2.gz LXTZNIKLJHNFDW-LJQANCHMSA-N 0 3 319.408 3.037 20 30 DGEDHN C[C@@H](NCCOc1ccccc1F)c1ccc(OCC#N)cc1 ZINC000271811966 500888371 /nfs/dbraw/zinc/88/83/71/500888371.db2.gz MDBJMECBPNOUIO-CQSZACIVSA-N 0 3 314.360 3.458 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000332284478 533778365 /nfs/dbraw/zinc/77/83/65/533778365.db2.gz DYHSCISNGLXDCA-IIDMSEBBSA-N 0 3 309.413 3.135 20 30 DGEDHN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C2CC2)cc1 ZINC000419354967 533825660 /nfs/dbraw/zinc/82/56/60/533825660.db2.gz MNMLYTDWIZSYSH-DJJJIMSYSA-N 0 3 311.429 3.023 20 30 DGEDHN COc1cc(CNC(=O)C(C)C#N)ccc1OCc1ccccc1 ZINC000357812340 533862030 /nfs/dbraw/zinc/86/20/30/533862030.db2.gz ZWAHUOMWJUOHLU-CQSZACIVSA-N 0 3 324.380 3.050 20 30 DGEDHN Cc1c(Cl)cccc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000331215989 533875775 /nfs/dbraw/zinc/87/57/75/533875775.db2.gz VOVXTHFHZPOUIX-CQSZACIVSA-N 0 3 324.852 3.046 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001479407222 1184248596 /nfs/dbraw/zinc/24/85/96/1184248596.db2.gz LVVWMBXWCNPKKX-RBSFLKMASA-N 0 3 300.874 3.296 20 30 DGEDHN C[C@H](c1cccnc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311391 534147744 /nfs/dbraw/zinc/14/77/44/534147744.db2.gz LZBJHKDTNKYLGL-WBVHZDCISA-N 0 3 307.397 3.374 20 30 DGEDHN C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCN(CC#N)CC1 ZINC000180009879 534230316 /nfs/dbraw/zinc/23/03/16/534230316.db2.gz GTKWQGCHLVWNRY-KRWDZBQOSA-N 0 3 313.489 3.304 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000330995454 534255199 /nfs/dbraw/zinc/25/51/99/534255199.db2.gz OHSORHGXZOOHLE-NONVJHHQSA-N 0 3 309.413 3.181 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000150745924 517315802 /nfs/dbraw/zinc/31/58/02/517315802.db2.gz NUMQXCQKIDZUHA-MRXNPFEDSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470167017 534329069 /nfs/dbraw/zinc/32/90/69/534329069.db2.gz KFWBMUFOUTWIMM-MOPGFXCFSA-N 0 3 312.457 3.479 20 30 DGEDHN COc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000556512679 518159122 /nfs/dbraw/zinc/15/91/22/518159122.db2.gz PEARVIFZFJZFMP-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN C=C(CC)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000459088909 534406605 /nfs/dbraw/zinc/40/66/05/534406605.db2.gz YPOPGVJXGSFOAM-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN Cc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000303399229 534406947 /nfs/dbraw/zinc/40/69/47/534406947.db2.gz TYEPDMBPWDZGFM-QGZVFWFLSA-N 0 3 306.413 3.338 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000489051604 534472843 /nfs/dbraw/zinc/47/28/43/534472843.db2.gz NDKPUGATIYKNMC-AEFFLSMTSA-N 0 3 323.440 3.239 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000489054601 534470952 /nfs/dbraw/zinc/47/09/52/534470952.db2.gz QCLWQTUTUIXFMZ-SJLPKXTDSA-N 0 3 323.440 3.067 20 30 DGEDHN CC(C)(C)C1=CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472439784 534539212 /nfs/dbraw/zinc/53/92/12/534539212.db2.gz NPWSGDFPSOMKDJ-KRWDZBQOSA-N 0 3 321.424 3.445 20 30 DGEDHN Cc1cccc(-c2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)c1 ZINC000424118271 534549271 /nfs/dbraw/zinc/54/92/71/534549271.db2.gz DBULNSBBXJCTPD-IBGZPJMESA-N 0 3 321.424 3.299 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCc2cccnc2)cc1 ZINC000449548005 534573623 /nfs/dbraw/zinc/57/36/23/534573623.db2.gz KMSJMMSGWAGPFU-UXHICEINSA-N 0 3 324.424 3.484 20 30 DGEDHN C=CCC1(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)CCCC1 ZINC000459058597 534600221 /nfs/dbraw/zinc/60/02/21/534600221.db2.gz DRLJWANYZNQZAM-IBGZPJMESA-N 0 3 319.493 3.250 20 30 DGEDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 ZINC000157510983 522034854 /nfs/dbraw/zinc/03/48/54/522034854.db2.gz KQQMPYDPKLFFIJ-KRWDZBQOSA-N 0 3 310.357 3.181 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000451597220 534611168 /nfs/dbraw/zinc/61/11/68/534611168.db2.gz IBLAIIPOHUHRLG-XYPHTWIQSA-N 0 3 316.445 3.072 20 30 DGEDHN N#CCSCCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128762310 534707612 /nfs/dbraw/zinc/70/76/12/534707612.db2.gz FWKIDDFQKYBWKT-ZDUSSCGKSA-N 0 3 310.850 3.440 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(C)c(Br)s1 ZINC000449694234 534791416 /nfs/dbraw/zinc/79/14/16/534791416.db2.gz AYDSQPRXECEBJN-JTQLQIEISA-N 0 3 304.253 3.236 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cc2c(c(OC)c1)OCO2 ZINC000353001944 526327328 /nfs/dbraw/zinc/32/73/28/526327328.db2.gz RLWRMYIZFYETEA-UHFFFAOYSA-N 0 3 315.369 3.248 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2ccc(C)s2)CC1 ZINC000176045011 526420570 /nfs/dbraw/zinc/42/05/70/526420570.db2.gz QBUFEDLOKXFWDG-UHFFFAOYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000171738165 526441646 /nfs/dbraw/zinc/44/16/46/526441646.db2.gz DEOZHSIQLFMZRV-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc3[nH]c(C)cc3c2)CC1 ZINC000171738160 526441856 /nfs/dbraw/zinc/44/18/56/526441856.db2.gz SILFDBGDKUTTRJ-UHFFFAOYSA-N 0 3 312.417 3.248 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000171721562 526444670 /nfs/dbraw/zinc/44/46/70/526444670.db2.gz IRDIAAWUVGJTPR-HOTGVXAUSA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)c2c(C)c(F)ccc2Cl)CC1 ZINC000355659244 526446220 /nfs/dbraw/zinc/44/62/20/526446220.db2.gz LYJCHWUCENBGES-UHFFFAOYSA-N 0 3 310.800 3.168 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000360672969 526493569 /nfs/dbraw/zinc/49/35/69/526493569.db2.gz PUGXRWJCIPTYCF-WMZOPIPTSA-N 0 3 315.461 3.115 20 30 DGEDHN C=CCN1CC[C@H](N(C)Cc2c(C)ccc3ccccc32)C1=O ZINC000337232794 526500473 /nfs/dbraw/zinc/50/04/73/526500473.db2.gz VVCWLDDCOVZFKC-IBGZPJMESA-N 0 3 308.425 3.367 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COCc1ccco1 ZINC000348234090 526567717 /nfs/dbraw/zinc/56/77/17/526567717.db2.gz SGYLKUPOJUWAHW-GOSISDBHSA-N 0 3 315.413 3.235 20 30 DGEDHN C=CCNC(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000180035831 526572854 /nfs/dbraw/zinc/57/28/54/526572854.db2.gz ATCBIZUMNMHPPS-MRXNPFEDSA-N 0 3 315.461 3.020 20 30 DGEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000180037270 526573641 /nfs/dbraw/zinc/57/36/41/526573641.db2.gz KIXAVIANSMKYJF-NWDGAFQWSA-N 0 3 314.351 3.089 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000106275903 526584123 /nfs/dbraw/zinc/58/41/23/526584123.db2.gz UXMLYHCVCKJZMS-MRXNPFEDSA-N 0 3 315.461 3.430 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(C)C)C2)CC1 ZINC000435974926 526584892 /nfs/dbraw/zinc/58/48/92/526584892.db2.gz VLCRTXQVPDJRBK-MRXNPFEDSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC000181622100 526595528 /nfs/dbraw/zinc/59/55/28/526595528.db2.gz IDGPDZVDSTXODB-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)CC1 ZINC000173161416 526596843 /nfs/dbraw/zinc/59/68/43/526596843.db2.gz ILRYPDFCUFFVGM-FPOVZHCZSA-N 0 3 324.468 3.047 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000173161397 526597702 /nfs/dbraw/zinc/59/77/02/526597702.db2.gz ILRYPDFCUFFVGM-PZJWPPBQSA-N 0 3 324.468 3.047 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(Cl)cccc2OC)CC1 ZINC000345263298 526599375 /nfs/dbraw/zinc/59/93/75/526599375.db2.gz NWBCWFZODKHTQA-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000130888511 526600650 /nfs/dbraw/zinc/60/06/50/526600650.db2.gz WNDJTYURIJVFPL-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413130554 526606879 /nfs/dbraw/zinc/60/68/79/526606879.db2.gz RJJNAAFKQMAWIB-UHFFFAOYSA-N 0 3 324.350 3.424 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000434905098 526626443 /nfs/dbraw/zinc/62/64/43/526626443.db2.gz IDOPYJIXORAOSE-APWZRJJASA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)COc1cc(CNCCOC(F)(F)F)ccc1OC ZINC000353239083 526660912 /nfs/dbraw/zinc/66/09/12/526660912.db2.gz QTUAGVDQXFUMOP-UHFFFAOYSA-N 0 3 319.323 3.276 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OC ZINC000424191621 526662800 /nfs/dbraw/zinc/66/28/00/526662800.db2.gz HPBPFYOAAUOBKH-GOEBONIOSA-N 0 3 300.402 3.432 20 30 DGEDHN C=CCOCCCC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357884051 526741524 /nfs/dbraw/zinc/74/15/24/526741524.db2.gz YTSBWBYYBROCHZ-APWZRJJASA-N 0 3 318.461 3.085 20 30 DGEDHN C=CCOCCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000347969089 526750274 /nfs/dbraw/zinc/75/02/74/526750274.db2.gz TURSTEVPHYWTKL-UHFFFAOYSA-N 0 3 317.429 3.183 20 30 DGEDHN C=CCOCCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000348060614 526752205 /nfs/dbraw/zinc/75/22/05/526752205.db2.gz XWJVGZYAKVQJBP-CYBMUJFWSA-N 0 3 317.355 3.132 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2ccc(OC)cc2s1 ZINC000435742879 526801816 /nfs/dbraw/zinc/80/18/16/526801816.db2.gz XGBDGOILIJSDRN-SJCJKPOMSA-N 0 3 318.442 3.376 20 30 DGEDHN C=C(CC)CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429040236 526860441 /nfs/dbraw/zinc/86/04/41/526860441.db2.gz KUZYIFFNGGDXCR-ZDUSSCGKSA-N 0 3 302.187 3.177 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000359107002 526882207 /nfs/dbraw/zinc/88/22/07/526882207.db2.gz RMUVFRGFVKGBBS-OWCLPIDISA-N 0 3 316.445 3.129 20 30 DGEDHN C=C(CN[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000353503078 526882696 /nfs/dbraw/zinc/88/26/96/526882696.db2.gz OBYGXNTWTCICOX-CQSZACIVSA-N 0 3 308.381 3.382 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](OC)C2(C)C)cc1OC ZINC000344701729 526888948 /nfs/dbraw/zinc/88/89/48/526888948.db2.gz RXHCQBDYPHUHCT-SJORKVTESA-N 0 3 305.418 3.163 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)NCCC(=O)NC(C)C)cc1 ZINC000133862301 526890353 /nfs/dbraw/zinc/89/03/53/526890353.db2.gz QEURJDOFYLEIOO-CQSZACIVSA-N 0 3 324.852 3.383 20 30 DGEDHN C=C1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000342188245 526902489 /nfs/dbraw/zinc/90/24/89/526902489.db2.gz XQIRWXZVJUYKQR-HKUYNNGSSA-N 0 3 301.430 3.094 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000348178569 526982166 /nfs/dbraw/zinc/98/21/66/526982166.db2.gz ZWJPSLWGRWLFEK-ZDUSSCGKSA-N 0 3 306.837 3.243 20 30 DGEDHN C=CCSCCN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180459613 527006830 /nfs/dbraw/zinc/00/68/30/527006830.db2.gz JRHLYNARBPGSHJ-CYBMUJFWSA-N 0 3 306.431 3.213 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000352814186 527012974 /nfs/dbraw/zinc/01/29/74/527012974.db2.gz GPHBKAAXTWMCKY-GXTWGEPZSA-N 0 3 322.499 3.244 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000342080804 527025120 /nfs/dbraw/zinc/02/51/20/527025120.db2.gz BLQSRSUJNUYRGV-QAPCUYQASA-N 0 3 315.461 3.087 20 30 DGEDHN C=CC[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000352986550 527030093 /nfs/dbraw/zinc/03/00/93/527030093.db2.gz KIGWXBIIVWDAFN-GDBMZVCRSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCC(F)(F)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000293014558 527035521 /nfs/dbraw/zinc/03/55/21/527035521.db2.gz DWXNTGHRHGQBAD-UHFFFAOYSA-N 0 3 310.388 3.308 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000350830237 527044587 /nfs/dbraw/zinc/04/45/87/527044587.db2.gz OMDFTGKLVIMAMU-ZWKOTPCHSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000341273839 527077902 /nfs/dbraw/zinc/07/79/02/527077902.db2.gz OGIKXBNIKSTYSQ-CYBMUJFWSA-N 0 3 316.357 3.129 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000341883106 527082730 /nfs/dbraw/zinc/08/27/30/527082730.db2.gz USRPSFSNGSDBHE-GHMZBOCLSA-N 0 3 303.324 3.262 20 30 DGEDHN C=CCCC1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000353834431 527090390 /nfs/dbraw/zinc/09/03/90/527090390.db2.gz XWAFUXQCEHBVGM-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000427809970 527123210 /nfs/dbraw/zinc/12/32/10/527123210.db2.gz XHOQAVBCOFKMGB-ROUUACIJSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000342661742 527130482 /nfs/dbraw/zinc/13/04/82/527130482.db2.gz XVHWCQYPXJCANC-FUHWJXTLSA-N 0 3 315.461 3.396 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000344336557 527158523 /nfs/dbraw/zinc/15/85/23/527158523.db2.gz SUIWNLUUDQBMMP-SZMVWBNQSA-N 0 3 315.461 3.303 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000355188300 527159375 /nfs/dbraw/zinc/15/93/75/527159375.db2.gz ISBBQWCAPSZBLC-INIZCTEOSA-N 0 3 307.413 3.084 20 30 DGEDHN C=CC[C@H](CO)CNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000341292578 527186306 /nfs/dbraw/zinc/18/63/06/527186306.db2.gz HAHCSGIHQVGHQK-AWEZNQCLSA-N 0 3 319.836 3.108 20 30 DGEDHN C=CC[C@H](CO)NCc1ccc(OCc2csc(C)n2)cc1 ZINC000351591277 527208956 /nfs/dbraw/zinc/20/89/56/527208956.db2.gz CJXOFYHUSFJYLV-OAHLLOKOSA-N 0 3 318.442 3.057 20 30 DGEDHN C=CCc1cc(CN(C)CC[C@H]2CCCO2)cc(OC)c1O ZINC000343476661 527234496 /nfs/dbraw/zinc/23/44/96/527234496.db2.gz VHAUEGLWGCCQSS-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC(C)=C[C@@H](C)C1 ZINC000430289252 527263192 /nfs/dbraw/zinc/26/31/92/527263192.db2.gz MAEKSMOEQSPBEK-CRAIPNDOSA-N 0 3 301.430 3.053 20 30 DGEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000342767182 527324272 /nfs/dbraw/zinc/32/42/72/527324272.db2.gz XVMIKRFSCTWJHI-AWEZNQCLSA-N 0 3 324.852 3.074 20 30 DGEDHN C=CCCN(C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433252093 527324535 /nfs/dbraw/zinc/32/45/35/527324535.db2.gz LOTQWQNTQVVNLT-AWEZNQCLSA-N 0 3 323.234 3.062 20 30 DGEDHN C=CCCOCCNCc1ccc(F)c(Br)c1 ZINC000120841785 527366846 /nfs/dbraw/zinc/36/68/46/527366846.db2.gz SBOCAIUUNQGPIK-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=CCn1cccc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000345736858 527375078 /nfs/dbraw/zinc/37/50/78/527375078.db2.gz JYYWVGQZMCRJIO-UHFFFAOYSA-N 0 3 308.385 3.453 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000359792717 527388751 /nfs/dbraw/zinc/38/87/51/527388751.db2.gz LHFUTUPZCTYEGD-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C[C@@H](C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000346006383 527407495 /nfs/dbraw/zinc/40/74/95/527407495.db2.gz GGROFXGQJKAMAV-NVXWUHKLSA-N 0 3 303.450 3.017 20 30 DGEDHN C=C[C@@H](C)NCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000342133044 527415377 /nfs/dbraw/zinc/41/53/77/527415377.db2.gz JJDFTCJDKMBMTO-SNVBAGLBSA-N 0 3 301.333 3.012 20 30 DGEDHN C=CCC[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000131068366 527440274 /nfs/dbraw/zinc/44/02/74/527440274.db2.gz XDYIHAYLZQRQCW-QZTJIDSGSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@@H](NCC(=O)NCC)c1ccc(C(F)(F)F)cc1 ZINC000411485846 527445680 /nfs/dbraw/zinc/44/56/80/527445680.db2.gz RWNPBSRSJJTFCX-CQSZACIVSA-N 0 3 314.351 3.438 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000444664287 527460084 /nfs/dbraw/zinc/46/00/84/527460084.db2.gz NHGZDEFZWVMSJA-CHWSQXEVSA-N 0 3 306.372 3.484 20 30 DGEDHN CC(C)(C#N)CCCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179551480 527464823 /nfs/dbraw/zinc/46/48/23/527464823.db2.gz XXTZJABZGBVBJY-QGZVFWFLSA-N 0 3 313.445 3.270 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000435762680 527478423 /nfs/dbraw/zinc/47/84/23/527478423.db2.gz OWZWLFQQGZJTQJ-ROUUACIJSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCC[C@H](NCCC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000342227494 527483621 /nfs/dbraw/zinc/48/36/21/527483621.db2.gz RIZOOSLULGEBCJ-AWEZNQCLSA-N 0 3 314.351 3.438 20 30 DGEDHN C=CCC[C@H](NCCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000180042359 527483980 /nfs/dbraw/zinc/48/39/80/527483980.db2.gz CCEXGMRPOVMPTN-KRWDZBQOSA-N 0 3 309.475 3.497 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663295 527494151 /nfs/dbraw/zinc/49/41/51/527494151.db2.gz XAZILHDYUMRHQA-HOCLYGCPSA-N 0 3 307.434 3.460 20 30 DGEDHN C=CCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000357595645 527539330 /nfs/dbraw/zinc/53/93/30/527539330.db2.gz ZMIOHRAGUOMVKB-GOSISDBHSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000359022623 527540473 /nfs/dbraw/zinc/54/04/73/527540473.db2.gz WEPRQKOFADJSKY-CRAIPNDOSA-N 0 3 313.445 3.009 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC[C@H](SCC)C1 ZINC000350897673 527632320 /nfs/dbraw/zinc/63/23/20/527632320.db2.gz SIUOKIXPQPLNJA-HOTGVXAUSA-N 0 3 310.507 3.183 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ccnc2c1cnn2C)C(C)C ZINC000429197071 527646786 /nfs/dbraw/zinc/64/67/86/527646786.db2.gz NHBNWZZMHODWQL-KRWDZBQOSA-N 0 3 313.449 3.079 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1snc(C)c1C#N)C(C)C ZINC000339970539 527647150 /nfs/dbraw/zinc/64/71/50/527647150.db2.gz JFTWMSYPTHFTDI-HNNXBMFYSA-N 0 3 304.463 3.434 20 30 DGEDHN CC1=CCC[C@H](C)[C@@H]1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000443405712 528106072 /nfs/dbraw/zinc/10/60/72/528106072.db2.gz KQWXUDSSJRIQDN-FUHWJXTLSA-N 0 3 310.445 3.068 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000428172824 528244503 /nfs/dbraw/zinc/24/45/03/528244503.db2.gz ANLBRRUFWAKSMF-AWEZNQCLSA-N 0 3 317.414 3.026 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181357195 528363888 /nfs/dbraw/zinc/36/38/88/528363888.db2.gz NWMHRAZEXPVBDC-SFHVURJKSA-N 0 3 313.445 3.270 20 30 DGEDHN CC(C)n1cc(C2=CCCN([C@H]3CCC[C@@H](C#N)C3)CC2)nn1 ZINC000333627606 528561330 /nfs/dbraw/zinc/56/13/30/528561330.db2.gz ZMPIMGDJLVFKIB-WBVHZDCISA-N 0 3 313.449 3.421 20 30 DGEDHN CCCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000355108084 528600133 /nfs/dbraw/zinc/60/01/33/528600133.db2.gz ABXZGHPXMHPRQF-HNNXBMFYSA-N 0 3 318.380 3.411 20 30 DGEDHN CCN(Cc1cc(Br)ccc1F)C(=O)C(C)C#N ZINC000347060494 528765330 /nfs/dbraw/zinc/76/53/30/528765330.db2.gz CQIJLCRKNLZTBA-VIFPVBQESA-N 0 3 313.170 3.096 20 30 DGEDHN CCN(Cc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1)C1CC1 ZINC000436027354 528775480 /nfs/dbraw/zinc/77/54/80/528775480.db2.gz MFTLQTJIIBXVJP-UHFFFAOYSA-N 0 3 320.396 3.190 20 30 DGEDHN CCN(Cc1ccc2ccccc2c1)C(=O)[C@H](N)CCCC#N ZINC000424083672 528802090 /nfs/dbraw/zinc/80/20/90/528802090.db2.gz DFLMNSMPEVILNA-GOSISDBHSA-N 0 3 309.413 3.209 20 30 DGEDHN CC1(C)CCCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000332329452 528912272 /nfs/dbraw/zinc/91/22/72/528912272.db2.gz LZFVRUYGKWAJAW-KRWDZBQOSA-N 0 3 309.413 3.279 20 30 DGEDHN CCOC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433366619 528923180 /nfs/dbraw/zinc/92/31/80/528923180.db2.gz ZQLOFJZXBCRSED-QZTJIDSGSA-N 0 3 314.429 3.034 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000330955010 528932974 /nfs/dbraw/zinc/93/29/74/528932974.db2.gz GXPWWEPLKRCISH-UHFFFAOYSA-N 0 3 311.407 3.083 20 30 DGEDHN CC1(C)CCCN(CCNc2c(C#N)nnc3ccccc32)C1 ZINC000443973424 528937939 /nfs/dbraw/zinc/93/79/39/528937939.db2.gz PAPGXFLTJVLXNJ-UHFFFAOYSA-N 0 3 309.417 3.035 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000355978135 528997751 /nfs/dbraw/zinc/99/77/51/528997751.db2.gz CCKDQFSXEMGQCY-ZWKOTPCHSA-N 0 3 313.445 3.065 20 30 DGEDHN CC(C)N1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000355620006 529007516 /nfs/dbraw/zinc/00/75/16/529007516.db2.gz KKDSSYLCFOHWBA-SFHVURJKSA-N 0 3 313.445 3.017 20 30 DGEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000182602627 529159378 /nfs/dbraw/zinc/15/93/78/529159378.db2.gz GSOQARITEJTDOC-OAHLLOKOSA-N 0 3 307.825 3.143 20 30 DGEDHN CCSCC[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433358955 529194261 /nfs/dbraw/zinc/19/42/61/529194261.db2.gz APLIMOIETACQOI-GOEBONIOSA-N 0 3 304.459 3.407 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@@H]1n1cccn1 ZINC000449657178 534996947 /nfs/dbraw/zinc/99/69/47/534996947.db2.gz NYBNQFXEBXGRCI-KURKYZTESA-N 0 3 324.428 3.042 20 30 DGEDHN CN(C)Cc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455948336 536008566 /nfs/dbraw/zinc/00/85/66/536008566.db2.gz OZOSZUYZIIAMMA-UHFFFAOYSA-N 0 3 322.412 3.136 20 30 DGEDHN CO[C@@H]1CCC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000451631514 536646027 /nfs/dbraw/zinc/64/60/27/536646027.db2.gz LWQLNTSXISRADG-HUUCEWRRSA-N 0 3 313.319 3.094 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000079008133 545756115 /nfs/dbraw/zinc/75/61/15/545756115.db2.gz HOFMRGDPDCQHJB-GOSISDBHSA-N 0 3 313.445 3.207 20 30 DGEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CC2(C)C)C1 ZINC000329657607 546489865 /nfs/dbraw/zinc/48/98/65/546489865.db2.gz GWAUUDUNFZKZGZ-UONOGXRCSA-N 0 3 304.438 3.043 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC000352269735 546651063 /nfs/dbraw/zinc/65/10/63/546651063.db2.gz XHAHTCWEAVQQQH-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669727822 547680114 /nfs/dbraw/zinc/68/01/14/547680114.db2.gz UIIALGACPWVCJC-QGZVFWFLSA-N 0 3 313.445 3.411 20 30 DGEDHN COCC#CCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000671708537 547812512 /nfs/dbraw/zinc/81/25/12/547812512.db2.gz ICIDPCOVYCRHOI-HNNXBMFYSA-N 0 3 313.319 3.276 20 30 DGEDHN C=CCOc1ccc(CNCc2ccccc2-n2cncn2)cc1 ZINC000671723978 547816567 /nfs/dbraw/zinc/81/65/67/547816567.db2.gz VTFSMZUILFSDDP-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN C=CCOCCN[C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000671759970 547828855 /nfs/dbraw/zinc/82/88/55/547828855.db2.gz FFOILKZDRIRLCP-LJQANCHMSA-N 0 3 312.413 3.166 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000678219620 548641534 /nfs/dbraw/zinc/64/15/34/548641534.db2.gz KIOIWEYOULWRAS-OAHLLOKOSA-N 0 3 316.445 3.382 20 30 DGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000678742978 548756086 /nfs/dbraw/zinc/75/60/86/548756086.db2.gz BJDZGSNHIYPQCL-GJZGRUSLSA-N 0 3 305.418 3.173 20 30 DGEDHN C=CC[C@H](CO)NCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000680483867 549057824 /nfs/dbraw/zinc/05/78/24/549057824.db2.gz CMOJBAMUALMAGX-MRXNPFEDSA-N 0 3 313.445 3.196 20 30 DGEDHN C=C(C)[C@@H](CO)N1CC=C(c2cccc(Br)c2)CC1 ZINC000680817964 549109151 /nfs/dbraw/zinc/10/91/51/549109151.db2.gz YPMINFQZLCFBSM-MRXNPFEDSA-N 0 3 322.246 3.475 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000680996519 549142110 /nfs/dbraw/zinc/14/21/10/549142110.db2.gz ZXFNKORDNUJHIK-BEFAXECRSA-N 0 3 313.828 3.446 20 30 DGEDHN C=CC[C@H](C(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000681710146 549245779 /nfs/dbraw/zinc/24/57/79/549245779.db2.gz PXNPETQVDUHJLQ-IBGZPJMESA-N 0 3 321.424 3.090 20 30 DGEDHN COc1ccc(C2(NCC#Cc3ccccc3)CCOCC2)cc1 ZINC000683015841 549415105 /nfs/dbraw/zinc/41/51/05/549415105.db2.gz OOETUERVTXAEFU-UHFFFAOYSA-N 0 3 321.420 3.342 20 30 DGEDHN C=CC[C@H]1N(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1(C)C ZINC000683564686 549506261 /nfs/dbraw/zinc/50/62/61/549506261.db2.gz KUDAZENFQAZYSP-IAGOWNOFSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CNc2ccnn2C1 ZINC000684194470 549590855 /nfs/dbraw/zinc/59/08/55/549590855.db2.gz GKSYAHLUOIRXJN-LBPRGKRZSA-N 0 3 322.865 3.328 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685621777 549781751 /nfs/dbraw/zinc/78/17/51/549781751.db2.gz DCCVSVNVAUFKBI-IUODEOHRSA-N 0 3 315.335 3.482 20 30 DGEDHN N#CCN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000730578234 574532175 /nfs/dbraw/zinc/53/21/75/574532175.db2.gz DDVPBHDJCZPMSY-UHFFFAOYSA-N 0 3 321.424 3.137 20 30 DGEDHN CCC(CC)[C@@H](O)C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000731938254 574563154 /nfs/dbraw/zinc/56/31/54/574563154.db2.gz SKYFSYWDTOIMCY-LPGQDOADSA-N 0 3 306.450 3.454 20 30 DGEDHN C#CCCOc1ccc(CNCCN2Cc3ccccc3C2)cc1 ZINC000733325821 574615682 /nfs/dbraw/zinc/61/56/82/574615682.db2.gz UEPHMOJWQWQZTR-UHFFFAOYSA-N 0 3 320.436 3.194 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000735206797 574692411 /nfs/dbraw/zinc/69/24/11/574692411.db2.gz NIIZFYPDYZYCJB-FYJFLYSWSA-N 0 3 320.776 3.352 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000735206796 574692513 /nfs/dbraw/zinc/69/25/13/574692513.db2.gz NIIZFYPDYZYCJB-FOQNGQEVSA-N 0 3 320.776 3.352 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000736287242 574740102 /nfs/dbraw/zinc/74/01/02/574740102.db2.gz YFGPIIKXGRIBMJ-INIZCTEOSA-N 0 3 319.836 3.267 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000736671156 574802311 /nfs/dbraw/zinc/80/23/11/574802311.db2.gz BGFHNKOWYQRWGY-RISCZKNCSA-N 0 3 321.218 3.142 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000737047563 574818446 /nfs/dbraw/zinc/81/84/46/574818446.db2.gz NQEJZDVSOZULIQ-INIZCTEOSA-N 0 3 321.852 3.265 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000737047566 574818450 /nfs/dbraw/zinc/81/84/50/574818450.db2.gz NQEJZDVSOZULIQ-MRXNPFEDSA-N 0 3 321.852 3.265 20 30 DGEDHN C=CCNC(=S)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000737458122 574845366 /nfs/dbraw/zinc/84/53/66/574845366.db2.gz LKPKRFKQEATGSX-RDJZCZTQSA-N 0 3 317.502 3.032 20 30 DGEDHN C=CCN1CCC(Nc2ncc(C)cc2Br)CC1 ZINC000190326078 574852904 /nfs/dbraw/zinc/85/29/04/574852904.db2.gz QOBWXLNDHYJSRW-UHFFFAOYSA-N 0 3 310.239 3.215 20 30 DGEDHN C=CCc1cc(OCC)cc(CN2CCSC[C@H]2C)c1O ZINC000738275853 574864042 /nfs/dbraw/zinc/86/40/42/574864042.db2.gz BODIJKYHIBPZSF-CYBMUJFWSA-N 0 3 307.459 3.457 20 30 DGEDHN CN(C)Cc1ccc(CN(C)C(=O)C2(C#N)CCCCC2)cc1 ZINC000738523004 574872481 /nfs/dbraw/zinc/87/24/81/574872481.db2.gz NZAZNBGPMMVGDA-UHFFFAOYSA-N 0 3 313.445 3.181 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000740737643 574940686 /nfs/dbraw/zinc/94/06/86/574940686.db2.gz GVEOIFGOBGVPIK-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN N#CCOc1ccc(CNCc2nccc3ccccc32)cc1 ZINC000740898527 574945466 /nfs/dbraw/zinc/94/54/66/574945466.db2.gz WWQPIFSBLZFBIH-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000741455563 574958311 /nfs/dbraw/zinc/95/83/11/574958311.db2.gz CAZPCZRCJBBZBI-AWEZNQCLSA-N 0 3 318.490 3.308 20 30 DGEDHN Cc1ccc(NC(=S)NN=C2CCN(C)[C@@H](C)C2)c(C)c1 ZINC000741453827 574958402 /nfs/dbraw/zinc/95/84/02/574958402.db2.gz WKBGSZRHUULSFN-ZDUSSCGKSA-N 0 3 304.463 3.060 20 30 DGEDHN C[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CC[N@@H+]1C ZINC000741465374 574958674 /nfs/dbraw/zinc/95/86/74/574958674.db2.gz VBDQLOPVAYKJAA-DXVYGPEISA-N 0 3 311.223 3.056 20 30 DGEDHN C[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CC[N@H+]1C ZINC000741465374 574958675 /nfs/dbraw/zinc/95/86/75/574958675.db2.gz VBDQLOPVAYKJAA-DXVYGPEISA-N 0 3 311.223 3.056 20 30 DGEDHN CCOc1cccc(CNCc2cc(C#N)ccc2F)c1O ZINC000742381716 574994741 /nfs/dbraw/zinc/99/47/41/574994741.db2.gz FMVSXGJIWHTYQC-UHFFFAOYSA-N 0 3 300.333 3.091 20 30 DGEDHN C=CC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccncc1 ZINC000743414968 575049841 /nfs/dbraw/zinc/04/98/41/575049841.db2.gz GPNGCANDSPHERY-DOTOQJQBSA-N 0 3 301.434 3.080 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000743491507 575054559 /nfs/dbraw/zinc/05/45/59/575054559.db2.gz IRRXUQKDMDCXQW-QGZVFWFLSA-N 0 3 312.457 3.093 20 30 DGEDHN CN(CCCOc1ccc(C#N)cc1)[C@H](CCO)c1ccccc1 ZINC000743856404 575065781 /nfs/dbraw/zinc/06/57/81/575065781.db2.gz JLQLBJCVZRKJDM-HXUWFJFHSA-N 0 3 324.424 3.383 20 30 DGEDHN CCN(Cc1ccc(OCC#N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743864870 575066930 /nfs/dbraw/zinc/06/69/30/575066930.db2.gz QZHLLRIJVUMHTB-FQEVSTJZSA-N 0 3 324.424 3.453 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744022104 575068684 /nfs/dbraw/zinc/06/86/84/575068684.db2.gz HWKGEEOQGQAFPY-DOMZBBRYSA-N 0 3 320.820 3.459 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000744025386 575069027 /nfs/dbraw/zinc/06/90/27/575069027.db2.gz KKIOALBTRDQDTH-ZWNOBZJWSA-N 0 3 316.744 3.384 20 30 DGEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000744032005 575069161 /nfs/dbraw/zinc/06/91/61/575069161.db2.gz GRBJHNPUXAYQTA-ZXCPCRMDSA-N 0 3 306.724 3.093 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C)c1 ZINC000744026951 575069196 /nfs/dbraw/zinc/06/91/96/575069196.db2.gz CEYQLFZBDRGCMP-HMVFGEFZSA-N 0 3 314.385 3.335 20 30 DGEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000744032001 575069214 /nfs/dbraw/zinc/06/92/14/575069214.db2.gz GRBJHNPUXAYQTA-GQOHGMTASA-N 0 3 306.724 3.093 20 30 DGEDHN C#CCN(C[C@@H](O)COc1ccc(C)cc1C)C1CCCCC1 ZINC000744211299 575078569 /nfs/dbraw/zinc/07/85/69/575078569.db2.gz KXSTTWXPUARTFP-LJQANCHMSA-N 0 3 315.457 3.311 20 30 DGEDHN Cc1ccccc1CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000729070570 575213722 /nfs/dbraw/zinc/21/37/22/575213722.db2.gz XMVOHZAFSDBUQV-QGZVFWFLSA-N 0 3 312.413 3.085 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000740737919 575215700 /nfs/dbraw/zinc/21/57/00/575215700.db2.gz ZOFNYZFXZURKJA-UHFFFAOYSA-N 0 3 312.457 3.202 20 30 DGEDHN CC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729473302 575251013 /nfs/dbraw/zinc/25/10/13/575251013.db2.gz WLRWAEHICDRWJK-VXGBXAGGSA-N 0 3 301.415 3.203 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(Cl)nc2)CC1 ZINC000729942054 575267554 /nfs/dbraw/zinc/26/75/54/575267554.db2.gz HMULKNUGNGTUPO-UHFFFAOYSA-N 0 3 324.881 3.062 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000729941797 575267652 /nfs/dbraw/zinc/26/76/52/575267652.db2.gz CQNPPQODTYDQCY-UHFFFAOYSA-N 0 3 309.866 3.277 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccccc2CC)CC1 ZINC000729942125 575267744 /nfs/dbraw/zinc/26/77/44/575267744.db2.gz AVXNIRGLBOOMEY-UHFFFAOYSA-N 0 3 303.475 3.186 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(cccc3F)s2)CC1 ZINC000729977480 575268750 /nfs/dbraw/zinc/26/87/50/575268750.db2.gz OQTMANWNXPXJOR-UHFFFAOYSA-N 0 3 318.417 3.421 20 30 DGEDHN C=C(C)CN1CCC(Nc2nnc(C)cc2C(F)(F)F)CC1 ZINC000729986369 575269169 /nfs/dbraw/zinc/26/91/69/575269169.db2.gz MEUPXGCVQJJXLO-UHFFFAOYSA-N 0 3 314.355 3.256 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2CCCCCCC2)CC1 ZINC000730021450 575270115 /nfs/dbraw/zinc/27/01/15/575270115.db2.gz GULQMKPSIMOHMS-UHFFFAOYSA-N 0 3 307.482 3.439 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C)s2)CC1 ZINC000730120592 575275537 /nfs/dbraw/zinc/27/55/37/575275537.db2.gz REUPMGQBGPDWSX-ZDUSSCGKSA-N 0 3 307.463 3.067 20 30 DGEDHN C#CCNC(=O)[C@H](C)N1CCC(c2cccc3ccccc32)CC1 ZINC000746707332 575471304 /nfs/dbraw/zinc/47/13/04/575471304.db2.gz BYWOFFCHVCPQFT-INIZCTEOSA-N 0 3 320.436 3.157 20 30 DGEDHN COc1ccc(CNCc2cncc3ccccc32)cc1C#N ZINC000746733907 575473010 /nfs/dbraw/zinc/47/30/10/575473010.db2.gz LXYFBIJMYKVNGG-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN COC[C@H](Cc1ccccc1)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000747100902 575496599 /nfs/dbraw/zinc/49/65/99/575496599.db2.gz XZLZZZWUAJKHGQ-APWZRJJASA-N 0 3 324.424 3.325 20 30 DGEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000747107606 575496856 /nfs/dbraw/zinc/49/68/56/575496856.db2.gz IIRCMVOMYZLNRO-MRXNPFEDSA-N 0 3 310.353 3.177 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C(/CC)c2ccc(C)cc2)CC1 ZINC000747404161 575516006 /nfs/dbraw/zinc/51/60/06/575516006.db2.gz HKNCJBQHOOPCTP-VLGSPTGOSA-N 0 3 324.468 3.392 20 30 DGEDHN C[C@@H]1CCCN(CCCCC#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000747970430 575554162 /nfs/dbraw/zinc/55/41/62/575554162.db2.gz VPHPENJJKMFDOD-CABCVRRESA-N 0 3 309.454 3.305 20 30 DGEDHN Clc1cncc(N=NC2CCCC[C@H]2N2CCCCC2)n1 ZINC000748781196 575605934 /nfs/dbraw/zinc/60/59/34/575605934.db2.gz UPPHLAVYFJJYQB-CYBMUJFWSA-N 0 3 307.829 3.326 20 30 DGEDHN C#CCOc1ccccc1CN[C@H](C)CC(=O)Nc1ccccc1 ZINC000749127755 575628800 /nfs/dbraw/zinc/62/88/00/575628800.db2.gz DESCVGXSVJZBRR-MRXNPFEDSA-N 0 3 322.408 3.206 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C)ns1)C(C)C ZINC000749234060 575637045 /nfs/dbraw/zinc/63/70/45/575637045.db2.gz RPHLBHJCUXBYCB-AWEZNQCLSA-N 0 3 322.478 3.272 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2occc2[nH]1)C(C)C ZINC000750877571 575757014 /nfs/dbraw/zinc/75/70/14/575757014.db2.gz CUMVAUXMLFFSAJ-MRXNPFEDSA-N 0 3 315.417 3.189 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCCOc2ccccc2F)cc1 ZINC000728712891 576196677 /nfs/dbraw/zinc/19/66/77/576196677.db2.gz BZOORMXHSXQMOU-CQSZACIVSA-N 0 3 314.360 3.285 20 30 DGEDHN C=CCN(CC=C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916622670 620639770 /nfs/dbraw/zinc/63/97/70/620639770.db2.gz GDHUZIOFBNEPSS-CYBMUJFWSA-N 0 3 311.410 3.147 20 30 DGEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000916622704 620639799 /nfs/dbraw/zinc/63/97/99/620639799.db2.gz IDFNXUWPEJSEQB-OLZOCXBDSA-N 0 3 313.426 3.204 20 30 DGEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000916622703 620639855 /nfs/dbraw/zinc/63/98/55/620639855.db2.gz IDFNXUWPEJSEQB-CHWSQXEVSA-N 0 3 313.426 3.204 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000852685298 620641129 /nfs/dbraw/zinc/64/11/29/620641129.db2.gz DSLDVBCASMGGJK-GASCZTMLSA-N 0 3 311.381 3.490 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000852685298 620641131 /nfs/dbraw/zinc/64/11/31/620641131.db2.gz DSLDVBCASMGGJK-GASCZTMLSA-N 0 3 311.381 3.490 20 30 DGEDHN C#CCOc1ccccc1CNCCO[C@H]1CCCC[C@H]1C ZINC000916838720 620646764 /nfs/dbraw/zinc/64/67/64/620646764.db2.gz XAFDDUNWIACQRR-AEFFLSMTSA-N 0 3 301.430 3.384 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917075421 620654774 /nfs/dbraw/zinc/65/47/74/620654774.db2.gz NCSQUADHQRMPNB-ZDUSSCGKSA-N 0 3 313.426 3.347 20 30 DGEDHN C[C@H](C1CC1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917093355 620656523 /nfs/dbraw/zinc/65/65/23/620656523.db2.gz KNHHAWXWCWKLEQ-YPMHNXCESA-N 0 3 313.426 3.203 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000917116977 620657238 /nfs/dbraw/zinc/65/72/38/620657238.db2.gz CLFFLTXBZZMBHL-VQTJNVASSA-N 0 3 309.384 3.482 20 30 DGEDHN N#CC(C(=O)CCn1cc(Cl)cn1)c1ccc2ccccc2n1 ZINC000917422286 620669080 /nfs/dbraw/zinc/66/90/80/620669080.db2.gz BQBRLGGJUBVUHB-CQSZACIVSA-N 0 3 324.771 3.351 20 30 DGEDHN CN1CCC[C@@H]1CSc1nc(C(F)(F)F)ccc1C#N ZINC000917512817 620672008 /nfs/dbraw/zinc/67/20/08/620672008.db2.gz IKIDUPDCBFOAJE-SNVBAGLBSA-N 0 3 301.337 3.158 20 30 DGEDHN CCC(CC)CNN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853334587 620687458 /nfs/dbraw/zinc/68/74/58/620687458.db2.gz LJGOAEBPTIWQEG-UHFFFAOYSA-N 0 3 303.450 3.007 20 30 DGEDHN CC[C@@](C)(OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216046 617722420 /nfs/dbraw/zinc/72/24/20/617722420.db2.gz FHCMNJBNOTVEOQ-ZWNOBZJWSA-N 0 3 300.280 3.092 20 30 DGEDHN CN(C)[C@@H](CNc1cc(C#N)sc1[N+](=O)[O-])c1cccs1 ZINC000891490519 617814201 /nfs/dbraw/zinc/81/42/01/617814201.db2.gz WWRQWFINCHZKEF-NSHDSACASA-N 0 3 322.415 3.304 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000892259548 617998408 /nfs/dbraw/zinc/99/84/08/617998408.db2.gz BWRAFYAKCORZJF-HOCLYGCPSA-N 0 3 301.434 3.086 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892419636 618062134 /nfs/dbraw/zinc/06/21/34/618062134.db2.gz GHQDGXZYNBYJMZ-ZIAGYGMSSA-N 0 3 323.396 3.099 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCc2sccc2C1=O)c1ccccn1 ZINC000892481650 618077888 /nfs/dbraw/zinc/07/78/88/618077888.db2.gz REMSVABYIMEJMH-WCQYABFASA-N 0 3 310.378 3.155 20 30 DGEDHN Cc1cc2scc(CC(=O)C(C#N)C(=O)NC(C)C)c2s1 ZINC000892499334 618082754 /nfs/dbraw/zinc/08/27/54/618082754.db2.gz VEOLFXODYXCABY-NSHDSACASA-N 0 3 320.439 3.047 20 30 DGEDHN C=CCCCCNCc1sc(N2CCOCC2)nc1Cl ZINC000894481495 618346497 /nfs/dbraw/zinc/34/64/97/618346497.db2.gz WORVBZBMVODTIW-UHFFFAOYSA-N 0 3 315.870 3.079 20 30 DGEDHN C=CCSCCNCc1ccc(C(F)(F)F)nc1N(C)C ZINC000892942040 618360263 /nfs/dbraw/zinc/36/02/63/618360263.db2.gz QFUCDDGLTNBNFD-UHFFFAOYSA-N 0 3 319.396 3.175 20 30 DGEDHN C[C@@]1(Br)C[C@H]1CNC1(c2cccc(C#N)c2)CC1 ZINC000893190167 618467692 /nfs/dbraw/zinc/46/76/92/618467692.db2.gz AHRSEMSYBUXXBW-UONOGXRCSA-N 0 3 305.219 3.310 20 30 DGEDHN C#C[C@H](NCC[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870032 618483542 /nfs/dbraw/zinc/48/35/42/618483542.db2.gz HAWVEVWJQJAPNL-DOMZBBRYSA-N 0 3 308.219 3.140 20 30 DGEDHN C#C[C@@H](NC[C@H]1CCSC1)c1ccc(Br)cc1 ZINC000894870983 618483601 /nfs/dbraw/zinc/48/36/01/618483601.db2.gz REONXQFMJQTSKW-BXUZGUMPSA-N 0 3 310.260 3.466 20 30 DGEDHN C#C[C@@H](NC[C@@H]1CCSC1)c1ccc(Br)cc1 ZINC000894870986 618483863 /nfs/dbraw/zinc/48/38/63/618483863.db2.gz REONXQFMJQTSKW-SMDDNHRTSA-N 0 3 310.260 3.466 20 30 DGEDHN C#C[C@H](NCC[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870035 618483948 /nfs/dbraw/zinc/48/39/48/618483948.db2.gz HAWVEVWJQJAPNL-WFASDCNBSA-N 0 3 308.219 3.140 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894935155 618501646 /nfs/dbraw/zinc/50/16/46/618501646.db2.gz UWJACRKJKLDQIP-NSHDSACASA-N 0 3 319.188 3.318 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000925649731 618520184 /nfs/dbraw/zinc/52/01/84/618520184.db2.gz INKZBOVOXIEQQJ-WBVHZDCISA-N 0 3 313.445 3.096 20 30 DGEDHN CC[C@H](CC#N)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893605715 618614686 /nfs/dbraw/zinc/61/46/86/618614686.db2.gz IFVFQIHXXACGDS-PBHICJAKSA-N 0 3 309.454 3.305 20 30 DGEDHN CN(Cc1ccccc1)C[C@H](OC(=O)CCCC#N)C1CC1 ZINC000893698389 618641715 /nfs/dbraw/zinc/64/17/15/618641715.db2.gz ZQLBARBYPNNKAJ-KRWDZBQOSA-N 0 3 300.402 3.134 20 30 DGEDHN COc1cc(C)cc(CNC2(c3cccc(C#N)c3)CC2)c1O ZINC000894359906 618771899 /nfs/dbraw/zinc/77/18/99/618771899.db2.gz TYYUKUZOSMEEPW-UHFFFAOYSA-N 0 3 308.381 3.360 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@H](OCc2ccccn2)C1 ZINC000895493423 618791469 /nfs/dbraw/zinc/79/14/69/618791469.db2.gz RIBBFCGSGOUVHV-IBGZPJMESA-N 0 3 321.424 3.361 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(OCCC)c2)CC1 ZINC000895835359 618839770 /nfs/dbraw/zinc/83/97/70/618839770.db2.gz DTHUJVRTTAADGS-UHFFFAOYSA-N 0 3 319.445 3.387 20 30 DGEDHN C#CCC1(O)CCN(Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000896025533 618862395 /nfs/dbraw/zinc/86/23/95/618862395.db2.gz MMXKERNZYVLDHX-UHFFFAOYSA-N 0 3 322.408 3.224 20 30 DGEDHN COC(=O)[C@@H](CNCc1csc(C#N)c1)C1CCCCC1 ZINC000896072301 618870275 /nfs/dbraw/zinc/87/02/75/618870275.db2.gz DTBVHWXRQJCDFJ-HNNXBMFYSA-N 0 3 306.431 3.079 20 30 DGEDHN COCCOc1cc(C)ccc1CN[C@@H](C)CC(C)(C)C#N ZINC000925254127 619096232 /nfs/dbraw/zinc/09/62/32/619096232.db2.gz MYBNMVZUSLQKFK-HNNXBMFYSA-N 0 3 304.434 3.438 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000888222584 619135435 /nfs/dbraw/zinc/13/54/35/619135435.db2.gz MAISYEHSDAZFBF-UHFFFAOYSA-N 0 3 313.445 3.051 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000897766081 619177780 /nfs/dbraw/zinc/17/77/80/619177780.db2.gz NXIFCYRHLWTBBF-QGZVFWFLSA-N 0 3 304.409 3.291 20 30 DGEDHN C=CCCCN(CC)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000898246719 619228192 /nfs/dbraw/zinc/22/81/92/619228192.db2.gz XQMGMVGWDNUPSV-UHFFFAOYSA-N 0 3 319.371 3.458 20 30 DGEDHN COC(=O)C1(CCCCNCc2cccc(F)c2C#N)CCC1 ZINC000898412297 619272126 /nfs/dbraw/zinc/27/21/26/619272126.db2.gz NPRGMARYWBUAFD-UHFFFAOYSA-N 0 3 318.392 3.301 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899047588 619309685 /nfs/dbraw/zinc/30/96/85/619309685.db2.gz ACRZKAAXQHIUBF-INIZCTEOSA-N 0 3 320.824 3.252 20 30 DGEDHN C=CC(C)(C)CC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000901251398 619480403 /nfs/dbraw/zinc/48/04/03/619480403.db2.gz IBYFXVYPHMWUDF-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C(=O)[O-] ZINC000901678150 619532622 /nfs/dbraw/zinc/53/26/22/619532622.db2.gz BZBPEDRTHOMAAJ-PVAVHDDUSA-N 0 3 308.466 3.039 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C(=O)[O-] ZINC000901689588 619534169 /nfs/dbraw/zinc/53/41/69/619534169.db2.gz DCFOQRFMGMWPOL-HYVNUMGLSA-N 0 3 308.466 3.039 20 30 DGEDHN CC[C@H](NCc1cccc(C(=O)NC)c1)c1cccc(C#N)c1 ZINC000902767130 619673038 /nfs/dbraw/zinc/67/30/38/619673038.db2.gz ZJHSORDBKPCMGQ-SFHVURJKSA-N 0 3 307.397 3.159 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902806909 619676075 /nfs/dbraw/zinc/67/60/75/619676075.db2.gz QJWADGVZXPWMDA-RDJZCZTQSA-N 0 3 306.413 3.273 20 30 DGEDHN COc1ccc(O[C@H](C)CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902820298 619679220 /nfs/dbraw/zinc/67/92/20/619679220.db2.gz ASUCYTKYELADPJ-KGLIPLIRSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@H](C[C@H](O)c1cccs1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902848947 619683704 /nfs/dbraw/zinc/68/37/04/619683704.db2.gz ZDNXZJFNQMWLTE-JMSVASOKSA-N 0 3 301.415 3.178 20 30 DGEDHN CC[C@H](NCc1ccc(NC(C)=O)nc1)c1cccc(C#N)c1 ZINC000902977175 619698677 /nfs/dbraw/zinc/69/86/77/619698677.db2.gz WRYCOUOTRWKCBP-KRWDZBQOSA-N 0 3 308.385 3.153 20 30 DGEDHN C=CCC[C@@H](NC[C@]1(c2cnn(C)c2)CCCO1)c1ccco1 ZINC000903360874 619765567 /nfs/dbraw/zinc/76/55/67/619765567.db2.gz OLICMWGYQLAVSG-AEFFLSMTSA-N 0 3 315.417 3.316 20 30 DGEDHN Cc1cc(C#N)cc(C)c1Cn1cc(CNC2CCCCC2)nn1 ZINC000905826807 620034597 /nfs/dbraw/zinc/03/45/97/620034597.db2.gz DVUVVSIQFXXMHK-UHFFFAOYSA-N 0 3 323.444 3.237 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc2c(cc1N)OCO2 ZINC000911841735 620347643 /nfs/dbraw/zinc/34/76/43/620347643.db2.gz SOZBCLVCTGPHMW-LBPRGKRZSA-N 0 3 321.421 3.014 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000912155259 620370737 /nfs/dbraw/zinc/37/07/37/620370737.db2.gz IZKZVNZCXVNKQX-CYBMUJFWSA-N 0 3 300.324 3.005 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000912373201 620383480 /nfs/dbraw/zinc/38/34/80/620383480.db2.gz JUUPNRZCPFOQRU-SMDDNHRTSA-N 0 3 312.360 3.149 20 30 DGEDHN Cc1nc(CC(=O)C(C#N)c2nc3ccccc3s2)cs1 ZINC000915099243 620567878 /nfs/dbraw/zinc/56/78/78/620567878.db2.gz NJDGMGWKCDIDKZ-NSHDSACASA-N 0 3 313.407 3.480 20 30 DGEDHN CCCNN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000915965411 620611793 /nfs/dbraw/zinc/61/17/93/620611793.db2.gz IHDNTLFLIZUFIR-UHFFFAOYSA-N 0 3 311.433 3.114 20 30 DGEDHN COc1ccc(C(C)=NNCC(C)C)cc1CN1CCCC1 ZINC000916365805 620626831 /nfs/dbraw/zinc/62/68/31/620626831.db2.gz KFXGHFHBWKAXLO-UHFFFAOYSA-N 0 3 303.450 3.261 20 30 DGEDHN C=C(C)CNC(=S)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000921273167 620846876 /nfs/dbraw/zinc/84/68/76/620846876.db2.gz FOIORHXVZREYDB-QGZVFWFLSA-N 0 3 317.502 3.081 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)OCCO2 ZINC000921483610 620861038 /nfs/dbraw/zinc/86/10/38/620861038.db2.gz QKKBJGIBQMMBRA-UHFFFAOYSA-N 0 3 308.381 3.236 20 30 DGEDHN CCN(CC)[C@H](CNCc1csc(C#N)c1)c1ccco1 ZINC000921618533 620914913 /nfs/dbraw/zinc/91/49/13/620914913.db2.gz XERRWYUUVFXYQV-OAHLLOKOSA-N 0 3 303.431 3.385 20 30 DGEDHN N#Cc1ccc(Br)c(CNCC2(O)CCCCC2)c1 ZINC000921632434 620919109 /nfs/dbraw/zinc/91/91/09/620919109.db2.gz HDXIILCTNSWZAK-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CCCc2nc(C)ncc21 ZINC000921749829 620944494 /nfs/dbraw/zinc/94/44/94/620944494.db2.gz QSFODQPRBBDFTJ-GOSISDBHSA-N 0 3 306.413 3.441 20 30 DGEDHN C#CCn1ccc(CN(CC)C[C@H]2CCc3ccccc3C2)n1 ZINC000789328914 625460971 /nfs/dbraw/zinc/46/09/71/625460971.db2.gz CSEIXRYQWCHZAL-KRWDZBQOSA-N 0 3 307.441 3.143 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CCCCC)C(C)(C)C)CC1 ZINC000115119802 621081985 /nfs/dbraw/zinc/08/19/85/621081985.db2.gz HAVAUOHYQGOKIL-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN N#Cc1cc(CNC[C@H]2CCC[C@@H](C(F)(F)F)O2)cs1 ZINC000922691316 621082346 /nfs/dbraw/zinc/08/23/46/621082346.db2.gz HJNLLSRJJXQYKC-PWSUYJOCSA-N 0 3 304.337 3.209 20 30 DGEDHN C#C[C@H](N[C@H]1CCCOCC1)c1ccc(Br)cc1 ZINC000857707359 621115006 /nfs/dbraw/zinc/11/50/06/621115006.db2.gz LTGGOTFJVLFYEB-GJZGRUSLSA-N 0 3 308.219 3.282 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858011488 621144575 /nfs/dbraw/zinc/14/45/75/621144575.db2.gz OTZYCDFUBATFMC-IBGZPJMESA-N 0 3 322.408 3.055 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858011490 621144653 /nfs/dbraw/zinc/14/46/53/621144653.db2.gz OTZYCDFUBATFMC-LJQANCHMSA-N 0 3 322.408 3.055 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN(Cc3ccc(CC#N)cc3)C2)nc1 ZINC000858040119 621147950 /nfs/dbraw/zinc/14/79/50/621147950.db2.gz LOCBQLXAFMJFRG-GOSISDBHSA-N 0 3 307.397 3.109 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1nc(-c2ccccc2)cs1 ZINC000858334945 621177661 /nfs/dbraw/zinc/17/76/61/621177661.db2.gz ZRSYWBOVYJKWGW-HNNXBMFYSA-N 0 3 300.427 3.328 20 30 DGEDHN CC(=O)N(C)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000858495335 621197743 /nfs/dbraw/zinc/19/77/43/621197743.db2.gz BQLBARJWBKBYOG-AWEZNQCLSA-N 0 3 307.397 3.392 20 30 DGEDHN Cc1ccccc1SC[C@@H](C)CN1CCN(CCC#N)CC1 ZINC000859211339 621260726 /nfs/dbraw/zinc/26/07/26/621260726.db2.gz MKRRUFWQQWIKOH-INIZCTEOSA-N 0 3 317.502 3.255 20 30 DGEDHN Cc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1C#N ZINC000859254421 621265101 /nfs/dbraw/zinc/26/51/01/621265101.db2.gz WPMVIYGXNRDXLF-UHFFFAOYSA-N 0 3 306.409 3.350 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(F)(F)F)c1 ZINC000838786294 621280454 /nfs/dbraw/zinc/28/04/54/621280454.db2.gz HGIJEERGANNUCQ-PWSUYJOCSA-N 0 3 312.291 3.231 20 30 DGEDHN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000838785989 621280739 /nfs/dbraw/zinc/28/07/39/621280739.db2.gz DGWYTOGQJNNOJP-GPANFISMSA-N 0 3 312.413 3.084 20 30 DGEDHN CCC(C)(C)OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000838789098 621281178 /nfs/dbraw/zinc/28/11/78/621281178.db2.gz XZFXGDTZHUDESG-NSHDSACASA-N 0 3 322.792 3.193 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCCO1 ZINC000838965027 621307666 /nfs/dbraw/zinc/30/76/66/621307666.db2.gz OSUXTYKEFMASGJ-RISCZKNCSA-N 0 3 312.291 3.236 20 30 DGEDHN Cc1cc(F)ccc1[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000860106653 621367500 /nfs/dbraw/zinc/36/75/00/621367500.db2.gz OKHLRGKSJFBXQG-FQEVSTJZSA-N 0 3 324.399 3.292 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000860468376 621408470 /nfs/dbraw/zinc/40/84/70/621408470.db2.gz BRECTKFEQXIPQQ-SMDDNHRTSA-N 0 3 322.792 3.193 20 30 DGEDHN C#C[C@@H](NCc1ccsc1C(F)(F)F)C1CCOCC1 ZINC000862418445 621587477 /nfs/dbraw/zinc/58/74/77/621587477.db2.gz JMXATEJYRTUGJB-GFCCVEGCSA-N 0 3 303.349 3.285 20 30 DGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccccc1Br ZINC000755893422 621600537 /nfs/dbraw/zinc/60/05/37/621600537.db2.gz STSIQPWIIGDAIG-SNVBAGLBSA-N 0 3 308.223 3.331 20 30 DGEDHN CC[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000755996109 621609060 /nfs/dbraw/zinc/60/90/60/621609060.db2.gz PNEMAJKXWJJTDY-STQMWFEESA-N 0 3 313.426 3.204 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000862962805 621629586 /nfs/dbraw/zinc/62/95/86/621629586.db2.gz STPIGKBAUUUPSZ-PMACEKPBSA-N 0 3 324.468 3.332 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2cc(C)ccc2C)CC1 ZINC000863275713 621659344 /nfs/dbraw/zinc/65/93/44/621659344.db2.gz FKCHDJFNWJEXDG-LJQANCHMSA-N 0 3 312.457 3.216 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680669 621711412 /nfs/dbraw/zinc/71/14/12/621711412.db2.gz VGOZJMOAXIXTFD-PBHICJAKSA-N 0 3 307.438 3.154 20 30 DGEDHN C=CCN(Cc1ccc(OC(=O)C2CC2)c(OC)c1)C1CC1 ZINC000757924120 621747201 /nfs/dbraw/zinc/74/72/01/621747201.db2.gz WHLUREZGKCHNCP-UHFFFAOYSA-N 0 3 301.386 3.161 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000120054475 621768877 /nfs/dbraw/zinc/76/88/77/621768877.db2.gz ULMDOVMHUFREJS-CQSZACIVSA-N 0 3 324.380 3.338 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](CO)CC(F)F)cc1 ZINC000760041633 621912278 /nfs/dbraw/zinc/91/22/78/621912278.db2.gz ZHKRGGKBIDEWHR-AAEUAGOBSA-N 0 3 319.779 3.485 20 30 DGEDHN CC[C@@H](C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760334522 621932629 /nfs/dbraw/zinc/93/26/29/621932629.db2.gz PAFVAWJIHCZMSL-UKRRQHHQSA-N 0 3 309.369 3.245 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1-n1cccc1 ZINC000760338582 621933464 /nfs/dbraw/zinc/93/34/64/621933464.db2.gz FDQLOSWJZYPDND-HNNXBMFYSA-N 0 3 302.337 3.066 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cncc1Cl ZINC000865554575 621950825 /nfs/dbraw/zinc/95/08/25/621950825.db2.gz XMHCCUGUWQFVCU-YGRLFVJLSA-N 0 3 301.217 3.459 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNC[C@]1(C)CC1(Cl)Cl ZINC000865587556 621957073 /nfs/dbraw/zinc/95/70/73/621957073.db2.gz PHRMVBCOTFSWLI-AWEZNQCLSA-N 0 3 312.244 3.298 20 30 DGEDHN C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866392740 622109942 /nfs/dbraw/zinc/10/99/42/622109942.db2.gz GHTMHCOMFQEWDF-HOCLYGCPSA-N 0 3 313.445 3.036 20 30 DGEDHN C[C@@H](NCc1cc2c([nH]c1=O)CCCC2)c1cccc(C#N)c1 ZINC000866641292 622152197 /nfs/dbraw/zinc/15/21/97/622152197.db2.gz QFKZQMNLISKVBT-CYBMUJFWSA-N 0 3 307.397 3.388 20 30 DGEDHN C#CCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000763949094 622170411 /nfs/dbraw/zinc/17/04/11/622170411.db2.gz AENUDSHYZRUVRB-UHFFFAOYSA-N 0 3 311.212 3.420 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(C)cc1 ZINC000121768533 622180615 /nfs/dbraw/zinc/18/06/15/622180615.db2.gz YMYMZIKPKRAKCB-GDBMZVCRSA-N 0 3 300.402 3.112 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000765242423 622253215 /nfs/dbraw/zinc/25/32/15/622253215.db2.gz MLNPMQNSTBCZFQ-MJGOQNOKSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000765610460 622276485 /nfs/dbraw/zinc/27/64/85/622276485.db2.gz VHCGEKPSMSAXRN-HNNXBMFYSA-N 0 3 307.393 3.484 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCCN(C)C2=O)cc1 ZINC000766436609 622329608 /nfs/dbraw/zinc/32/96/08/622329608.db2.gz JYKMGVRLGIUQBI-CJNGLKHVSA-N 0 3 322.836 3.089 20 30 DGEDHN C#CCCCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000766922715 622362239 /nfs/dbraw/zinc/36/22/39/622362239.db2.gz LEGXYGXTARTSKX-INIZCTEOSA-N 0 3 310.397 3.040 20 30 DGEDHN CC#CCCN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000767034843 622370555 /nfs/dbraw/zinc/37/05/55/622370555.db2.gz KTVUBWCABUWXOV-UHFFFAOYSA-N 0 3 316.445 3.427 20 30 DGEDHN Cc1cccc(CO[C@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000870134809 622436501 /nfs/dbraw/zinc/43/65/01/622436501.db2.gz PFSYBWSWUHGAFL-PBHICJAKSA-N 0 3 323.396 3.183 20 30 DGEDHN CCCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000870162581 622437820 /nfs/dbraw/zinc/43/78/20/622437820.db2.gz JVUPXWDWYUVOOV-GFCCVEGCSA-N 0 3 313.382 3.057 20 30 DGEDHN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000122983808 622439484 /nfs/dbraw/zinc/43/94/84/622439484.db2.gz SHZXJBBPSQDRLQ-KBXCAEBGSA-N 0 3 319.364 3.137 20 30 DGEDHN C#CCOc1ccc(CN(CCOC)Cc2ccccc2)cc1 ZINC000768160778 622442599 /nfs/dbraw/zinc/44/25/99/622442599.db2.gz PIYTWHFPZWKPHY-UHFFFAOYSA-N 0 3 309.409 3.347 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000769314354 622516714 /nfs/dbraw/zinc/51/67/14/622516714.db2.gz XNKBGLSCLUYTIG-GOSISDBHSA-N 0 3 309.413 3.122 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCC[C@@H]2CCOC2=O)c([O-])c1 ZINC000871597291 622645153 /nfs/dbraw/zinc/64/51/53/622645153.db2.gz NIQZSYBIADTEMZ-RMENWYJGSA-N 0 3 318.417 3.001 20 30 DGEDHN N#CC1(C[C@@H](O)CNCc2cc(Cl)cc(Cl)c2F)CC1 ZINC000872234730 622863234 /nfs/dbraw/zinc/86/32/34/622863234.db2.gz GDLXMPKPPBHFTE-LLVKDONJSA-N 0 3 317.191 3.277 20 30 DGEDHN COc1cc(CN2CCC[C@@H](OC3CCC3)CC2)ccc1C#N ZINC000872258811 622869160 /nfs/dbraw/zinc/86/91/60/622869160.db2.gz BIEAIAZOTFMRRE-GOSISDBHSA-N 0 3 314.429 3.490 20 30 DGEDHN CC1(C(=O)OCCCC#N)CCN(Cc2ccccc2)CC1 ZINC000772719655 622932025 /nfs/dbraw/zinc/93/20/25/622932025.db2.gz SMSYKTBSYVQCFJ-UHFFFAOYSA-N 0 3 300.402 3.136 20 30 DGEDHN C=CCC[C@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000772781600 622938992 /nfs/dbraw/zinc/93/89/92/622938992.db2.gz IRVHLULPEMAYLS-SWLSCSKDSA-N 0 3 305.349 3.077 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccc(F)cc1 ZINC000772920186 622953811 /nfs/dbraw/zinc/95/38/11/622953811.db2.gz DRFCOYLRILSMQL-DIFFPNOSSA-N 0 3 302.324 3.048 20 30 DGEDHN C#CC[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1ccccc1 ZINC000773118451 622986591 /nfs/dbraw/zinc/98/65/91/622986591.db2.gz ZRNIMONSYKUBCI-HNAYVOBHSA-N 0 3 317.396 3.078 20 30 DGEDHN N#CC1(c2ccc(CNCc3ccc4oc(=O)[nH]c4c3)cc2)CC1 ZINC000873172763 623060343 /nfs/dbraw/zinc/06/03/43/623060343.db2.gz HOHKHSJLMKPOHD-UHFFFAOYSA-N 0 3 319.364 3.378 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774480714 623151365 /nfs/dbraw/zinc/15/13/65/623151365.db2.gz CGHMRVNJFQZCLA-HZPDHXFCSA-N 0 3 317.477 3.216 20 30 DGEDHN CCC[C@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000873523947 623166638 /nfs/dbraw/zinc/16/66/38/623166638.db2.gz XVGUPCFGEVAREN-HOTGVXAUSA-N 0 3 300.402 3.180 20 30 DGEDHN Cc1cc(CN2CCC(N(C)CC(F)F)CC2)ccc1C#N ZINC000774903367 623206885 /nfs/dbraw/zinc/20/68/85/623206885.db2.gz LDCRECXVOKVLMK-UHFFFAOYSA-N 0 3 307.388 3.028 20 30 DGEDHN CC[C@@](C)(NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000775390407 623265974 /nfs/dbraw/zinc/26/59/74/623265974.db2.gz MJHBCGBBLJLVQR-QGZVFWFLSA-N 0 3 313.426 3.473 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)COc1cccc(C)c1)c1ccccc1 ZINC000775400784 623269132 /nfs/dbraw/zinc/26/91/32/623269132.db2.gz MPAAPQDFTYLACM-AZUAARDMSA-N 0 3 309.409 3.089 20 30 DGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H](C)Cc2ccccc2)c1 ZINC000775909071 623349363 /nfs/dbraw/zinc/34/93/63/623349363.db2.gz ORCOLAMTHMWDAY-KRWDZBQOSA-N 0 3 320.436 3.417 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279748 623406671 /nfs/dbraw/zinc/40/66/71/623406671.db2.gz YSNTUPAUQFKOQZ-SFHVURJKSA-N 0 3 312.369 3.316 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@H](CCO)CC(C)C ZINC000778173310 623620615 /nfs/dbraw/zinc/62/06/15/623620615.db2.gz SDIDGJKQFBYQHD-OAHLLOKOSA-N 0 3 323.864 3.486 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Br)cc1C ZINC000876554534 623642457 /nfs/dbraw/zinc/64/24/57/623642457.db2.gz CHFAGZAXROLHRN-JTQLQIEISA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000876555627 623642913 /nfs/dbraw/zinc/64/29/13/623642913.db2.gz BXJRVKAALBNNSD-LBPRGKRZSA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000876556762 623643723 /nfs/dbraw/zinc/64/37/23/623643723.db2.gz SCIADCNRFVEQSG-GFCCVEGCSA-N 0 3 320.742 3.134 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000876574661 623648756 /nfs/dbraw/zinc/64/87/56/623648756.db2.gz IFTDWVVMJYDABO-LBPRGKRZSA-N 0 3 320.742 3.134 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Br)ccc1C ZINC000876575599 623648837 /nfs/dbraw/zinc/64/88/37/623648837.db2.gz LMCGPBDIDLBBCQ-SNVBAGLBSA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1csc2ccccc12 ZINC000876580760 623650585 /nfs/dbraw/zinc/65/05/85/623650585.db2.gz ZCEKOPUCYMZMLX-ZDUSSCGKSA-N 0 3 308.834 3.330 20 30 DGEDHN C#CCCCCCCN1CCN(CCc2cccs2)CC1 ZINC000876584958 623651255 /nfs/dbraw/zinc/65/12/55/623651255.db2.gz UNVHFKHBHZQLKS-UHFFFAOYSA-N 0 3 304.503 3.492 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccc(Cl)cc1 ZINC000876593927 623654731 /nfs/dbraw/zinc/65/47/31/623654731.db2.gz NDKWPZMCBHLLNO-ZDUSSCGKSA-N 0 3 301.217 3.158 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000876607950 623658442 /nfs/dbraw/zinc/65/84/42/623658442.db2.gz VGLDHRKUDLRINX-WCQYABFASA-N 0 3 306.793 3.388 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000876610662 623659175 /nfs/dbraw/zinc/65/91/75/623659175.db2.gz HFTHYPKZZJASBG-HZPDHXFCSA-N 0 3 304.821 3.135 20 30 DGEDHN C[C@H](O)CN(Cc1ccccc1)Cc1cc(C#N)ccc1N(C)C ZINC000876618680 623661285 /nfs/dbraw/zinc/66/12/85/623661285.db2.gz CDUWSWGTKQRSAO-INIZCTEOSA-N 0 3 323.440 3.007 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000876635105 623665477 /nfs/dbraw/zinc/66/54/77/623665477.db2.gz MEPNIBRJAUIURB-DLBZAZTESA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000876646032 623669487 /nfs/dbraw/zinc/66/94/87/623669487.db2.gz PUIWMCWTUPTXAB-CYBMUJFWSA-N 0 3 315.244 3.247 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000876645219 623669597 /nfs/dbraw/zinc/66/95/97/623669597.db2.gz ILAAFHPSSDCFJR-ZDUSSCGKSA-N 0 3 315.244 3.204 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000876648212 623670525 /nfs/dbraw/zinc/67/05/25/623670525.db2.gz YAWSGFAPEIWGSB-HZPDHXFCSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(C)c(C)c1)C1CC1 ZINC000876675433 623678532 /nfs/dbraw/zinc/67/85/32/623678532.db2.gz AQQXHRBQUWSEFF-MRXNPFEDSA-N 0 3 306.837 3.264 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000876679821 623680654 /nfs/dbraw/zinc/68/06/54/623680654.db2.gz UDNIUYMCQHPZBC-CVEARBPZSA-N 0 3 306.837 3.437 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000876690939 623683152 /nfs/dbraw/zinc/68/31/52/623683152.db2.gz VOOSECMWTGHCSM-UKRRQHHQSA-N 0 3 324.877 3.097 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000876692499 623683851 /nfs/dbraw/zinc/68/38/51/623683851.db2.gz UUXXBQKUMXOOLA-CYBMUJFWSA-N 0 3 312.772 3.165 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC)c1ccc(F)cc1F ZINC000876697928 623684892 /nfs/dbraw/zinc/68/48/92/623684892.db2.gz KHDQDLAOUHARGI-UONOGXRCSA-N 0 3 316.779 3.392 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000876710058 623687572 /nfs/dbraw/zinc/68/75/72/623687572.db2.gz CQIXADSXJGFWAI-CQSZACIVSA-N 0 3 307.825 3.004 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1cc(C#N)ccc1F ZINC000779121870 623732393 /nfs/dbraw/zinc/73/23/93/623732393.db2.gz DLHXBUGFYAFEDH-UHFFFAOYSA-N 0 3 318.392 3.394 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000876887895 623737015 /nfs/dbraw/zinc/73/70/15/623737015.db2.gz JFHUNTDSSHETIE-CJNGLKHVSA-N 0 3 308.853 3.327 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC2(C1)CCOCC2 ZINC000779163767 623737654 /nfs/dbraw/zinc/73/76/54/623737654.db2.gz GDHLMHBIFJZYDQ-UHFFFAOYSA-N 0 3 319.832 3.355 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000876909003 623741967 /nfs/dbraw/zinc/74/19/67/623741967.db2.gz VPTDRCRSTGOAPY-GDBMZVCRSA-N 0 3 306.837 3.089 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1c(C)cccc1C ZINC000876958744 623755070 /nfs/dbraw/zinc/75/50/70/623755070.db2.gz BZMDLUSSTOOZKU-CABCVRRESA-N 0 3 306.837 3.437 20 30 DGEDHN C[C@@H](CCc1ccc(O)cc1)NCc1cc(C#N)cnc1Cl ZINC000877018558 623767475 /nfs/dbraw/zinc/76/74/75/623767475.db2.gz XLCWXHWSPMXTBU-LBPRGKRZSA-N 0 3 315.804 3.423 20 30 DGEDHN C[C@H](CCc1cccn1C)NCc1cc(C#N)cnc1Cl ZINC000877041599 623773684 /nfs/dbraw/zinc/77/36/84/623773684.db2.gz HQNLXHBDNMIDKB-GFCCVEGCSA-N 0 3 302.809 3.056 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000877087902 623788457 /nfs/dbraw/zinc/78/84/57/623788457.db2.gz WFFBOSMRXPAQMD-CQSZACIVSA-N 0 3 305.809 3.188 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CC1)c1ccc(C)c(F)c1 ZINC000877088474 623788892 /nfs/dbraw/zinc/78/88/92/623788892.db2.gz DMQRUGKIYRHEMQ-OAHLLOKOSA-N 0 3 310.800 3.347 20 30 DGEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2cc(C#N)cnc2Cl)C1 ZINC000877149747 623808525 /nfs/dbraw/zinc/80/85/25/623808525.db2.gz RYGGWHKIKCVDAB-SJCJKPOMSA-N 0 3 321.852 3.274 20 30 DGEDHN CCC(Cc1ccc(Cl)cc1Cl)=NNC1=N[C@H](C)CN1 ZINC000779794128 623808798 /nfs/dbraw/zinc/80/87/98/623808798.db2.gz CTMHRNDZOYAZLE-SECBINFHSA-N 0 3 313.232 3.239 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@]1(C)Cc1cccc(C)c1 ZINC000877204924 623827619 /nfs/dbraw/zinc/82/76/19/623827619.db2.gz SJMYQJYRUMSYBR-WMZOPIPTSA-N 0 3 320.864 3.389 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000779950822 623838683 /nfs/dbraw/zinc/83/86/83/623838683.db2.gz PVVXKYFSGKHWIB-QGZVFWFLSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877341315 623856104 /nfs/dbraw/zinc/85/61/04/623856104.db2.gz SYEWIIURSIITGE-JXFKEZNVSA-N 0 3 320.436 3.177 20 30 DGEDHN Cc1cnc([C@H](C)CNCc2cc(C#N)cnc2Cl)s1 ZINC000877340269 623856281 /nfs/dbraw/zinc/85/62/81/623856281.db2.gz IFHYUEYDCGOUPF-SECBINFHSA-N 0 3 306.822 3.265 20 30 DGEDHN CC(=NN[C@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000780257135 623897561 /nfs/dbraw/zinc/89/75/61/623897561.db2.gz GYSNQWYDXIYOFV-KRWDZBQOSA-N 0 3 301.434 3.170 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](NCCC#N)CC[C@H]21 ZINC000877484010 623905203 /nfs/dbraw/zinc/90/52/03/623905203.db2.gz SROJLMXXWHGHQH-RBSFLKMASA-N 0 3 307.438 3.058 20 30 DGEDHN C#CCCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000780305247 623908991 /nfs/dbraw/zinc/90/89/91/623908991.db2.gz GVSIDRLQEXUNIN-KRWDZBQOSA-N 0 3 310.397 3.480 20 30 DGEDHN COc1cccc(C)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000877609731 623961215 /nfs/dbraw/zinc/96/12/15/623961215.db2.gz NJXQYUBWMCJEJG-SFHVURJKSA-N 0 3 310.397 3.041 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000877615517 623963294 /nfs/dbraw/zinc/96/32/94/623963294.db2.gz VPCAQYCFGHDYNU-INIZCTEOSA-N 0 3 305.372 3.245 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000877618146 623963785 /nfs/dbraw/zinc/96/37/85/623963785.db2.gz IZRNKKPTWKKLOS-GOSISDBHSA-N 0 3 313.445 3.158 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCCOC1 ZINC000781448754 624071836 /nfs/dbraw/zinc/07/18/36/624071836.db2.gz FYVXFANERLZXNZ-BZNIZROVSA-N 0 3 300.383 3.289 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCCOC1 ZINC000781455512 624073252 /nfs/dbraw/zinc/07/32/52/624073252.db2.gz DYRMYRPKOFMLBS-ZBEGNZNMSA-N 0 3 318.373 3.428 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000781531780 624088973 /nfs/dbraw/zinc/08/89/73/624088973.db2.gz JZKMQWJFTKNTIA-INIZCTEOSA-N 0 3 323.387 3.240 20 30 DGEDHN CN(C[C@@H]1CCCN1CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000878148998 624189192 /nfs/dbraw/zinc/18/91/92/624189192.db2.gz LXNGLPXZQNSSCD-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN CC(=NN[C@@H]1CCCC1(C)C)c1cccc(N2CCOCC2)c1 ZINC000782288044 624233809 /nfs/dbraw/zinc/23/38/09/624233809.db2.gz OAQFECHWSJDBKN-GOSISDBHSA-N 0 3 315.461 3.416 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878386766 624264720 /nfs/dbraw/zinc/26/47/20/624264720.db2.gz XMJFXZDNBKJUCY-KRWDZBQOSA-N 0 3 305.418 3.038 20 30 DGEDHN C=CC[C@@H](C)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000878491587 624289777 /nfs/dbraw/zinc/28/97/77/624289777.db2.gz OWXGBUNOOKDNRD-SNVBAGLBSA-N 0 3 320.384 3.034 20 30 DGEDHN C#CCCCCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000878548545 624305347 /nfs/dbraw/zinc/30/53/47/624305347.db2.gz YIQLOVFHDGZJFO-FUHWJXTLSA-N 0 3 321.486 3.252 20 30 DGEDHN N#Cc1ccc(CN2CCN(c3ccnc4ccccc43)CC2)o1 ZINC000878599079 624318345 /nfs/dbraw/zinc/31/83/45/624318345.db2.gz HDKDEDNSJJXDOU-UHFFFAOYSA-N 0 3 318.380 3.022 20 30 DGEDHN N#CCC1(CN2CCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000878613138 624321869 /nfs/dbraw/zinc/32/18/69/624321869.db2.gz GGOZGZZPAYTMNC-MRXNPFEDSA-N 0 3 319.449 3.204 20 30 DGEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)nc1 ZINC000783293954 624335468 /nfs/dbraw/zinc/33/54/68/624335468.db2.gz KTASGKLROJZGDW-IBGZPJMESA-N 0 3 307.397 3.211 20 30 DGEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)Nc1ccccc1 ZINC000783350440 624339024 /nfs/dbraw/zinc/33/90/24/624339024.db2.gz NNFHOHXNPLTZTO-OAHLLOKOSA-N 0 3 312.394 3.418 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](c1cccs1)C1CCCC1 ZINC000783531099 624361801 /nfs/dbraw/zinc/36/18/01/624361801.db2.gz GHJNLHKEIBGLON-OAHLLOKOSA-N 0 3 313.488 3.170 20 30 DGEDHN C#CCCN1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000127369142 624373330 /nfs/dbraw/zinc/37/33/30/624373330.db2.gz GTCWQLIWMNKATH-UHFFFAOYSA-N 0 3 324.390 3.279 20 30 DGEDHN C[C@@H](C#N)OCCN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000879079232 624421862 /nfs/dbraw/zinc/42/18/62/624421862.db2.gz GUCHUOSEEKFWOZ-FXAWDEMLSA-N 0 3 324.424 3.151 20 30 DGEDHN COc1cccc([C@H]2CN(Cc3ccc(C#N)c(C)c3)CCN2)c1 ZINC000879525180 624577114 /nfs/dbraw/zinc/57/71/14/624577114.db2.gz UTKJAWUCBOCEFJ-HXUWFJFHSA-N 0 3 321.424 3.022 20 30 DGEDHN C#CCCOC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784840043 624587234 /nfs/dbraw/zinc/58/72/34/624587234.db2.gz YEXDBOBJSDZAFT-UHFFFAOYSA-N 0 3 307.393 3.499 20 30 DGEDHN N#Cc1ccc(N2CCN(C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000879585709 624598877 /nfs/dbraw/zinc/59/88/77/624598877.db2.gz BHBPOVKTAPRJNK-OAHLLOKOSA-N 0 3 305.372 3.116 20 30 DGEDHN COc1ccccc1[C@@H]1CSCCCN1CCOCCC#N ZINC000880175939 624820493 /nfs/dbraw/zinc/82/04/93/624820493.db2.gz IMEIPSCQOVJXNF-INIZCTEOSA-N 0 3 320.458 3.105 20 30 DGEDHN COc1ccccc1[C@@H]1CSCCCN1CCO[C@@H](C)C#N ZINC000880175609 624820646 /nfs/dbraw/zinc/82/06/46/624820646.db2.gz BKGGKBRIBIIDEQ-HOCLYGCPSA-N 0 3 320.458 3.104 20 30 DGEDHN CC(C)(C#N)CC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000786486381 624893303 /nfs/dbraw/zinc/89/33/03/624893303.db2.gz IURFRWYYOYCOHP-MRXNPFEDSA-N 0 3 300.402 3.134 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000786538542 624915151 /nfs/dbraw/zinc/91/51/51/624915151.db2.gz GBBJDOWVDZUWGG-GDBMZVCRSA-N 0 3 314.429 3.392 20 30 DGEDHN C=CCCN(C)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000786578177 624924857 /nfs/dbraw/zinc/92/48/57/624924857.db2.gz JEKSDYFVQZILPG-UHFFFAOYSA-N 0 3 311.429 3.079 20 30 DGEDHN N#Cc1ccccc1COC(=O)CCN1CCc2ccccc2C1 ZINC000786824938 624956573 /nfs/dbraw/zinc/95/65/73/624956573.db2.gz HVNLYNPRHWWSKB-UHFFFAOYSA-N 0 3 320.392 3.050 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000880479178 624965215 /nfs/dbraw/zinc/96/52/15/624965215.db2.gz LLVYHSNCYPTZMR-UHFFFAOYSA-N 0 3 314.816 3.238 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CSC(C)C)c1ccccc1 ZINC000787044098 624973786 /nfs/dbraw/zinc/97/37/86/624973786.db2.gz FEOBUWYREFZCNZ-GJZGRUSLSA-N 0 3 318.442 3.104 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073863 624976244 /nfs/dbraw/zinc/97/62/44/624976244.db2.gz NXMXAGNLRJEJIE-LZWOXQAQSA-N 0 3 300.402 3.036 20 30 DGEDHN CC(=NN[C@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000788456578 625179862 /nfs/dbraw/zinc/17/98/62/625179862.db2.gz MQXPQYQSRPTGNK-KRWDZBQOSA-N 0 3 301.434 3.170 20 30 DGEDHN CCN(C)c1ccc(C(C)=NN[C@@H](CO)c2ccccc2)cc1 ZINC000788458880 625182540 /nfs/dbraw/zinc/18/25/40/625182540.db2.gz ABAXYKZZJVOTOG-IBGZPJMESA-N 0 3 311.429 3.190 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000130758873 625897850 /nfs/dbraw/zinc/89/78/50/625897850.db2.gz BVJPKBKDIAPSLP-HNNXBMFYSA-N 0 3 305.381 3.481 20 30 DGEDHN C=CCC[C@H](CO)NCc1c(Cl)cccc1N1CCCC1 ZINC000883138511 625940963 /nfs/dbraw/zinc/94/09/63/625940963.db2.gz GQKHXDIVUKJWRX-CQSZACIVSA-N 0 3 308.853 3.357 20 30 DGEDHN C#CCCCCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000796323207 626038481 /nfs/dbraw/zinc/03/84/81/626038481.db2.gz MVIXVLKHSLQOAU-UHFFFAOYSA-N 0 3 302.809 3.122 20 30 DGEDHN CC[C@](C)(OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000796648647 626069896 /nfs/dbraw/zinc/06/98/96/626069896.db2.gz DOHLAVOAJUGFLC-QFYYESIMSA-N 0 3 321.327 3.423 20 30 DGEDHN Cc1noc(C)c1C(C)(C)NCCCOc1ccc(C#N)cc1 ZINC000796664405 626071210 /nfs/dbraw/zinc/07/12/10/626071210.db2.gz WMEBQXWLJHEMNV-UHFFFAOYSA-N 0 3 313.401 3.457 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796677514 626072772 /nfs/dbraw/zinc/07/27/72/626072772.db2.gz FESVZYKEFCSNOV-MRXNPFEDSA-N 0 3 321.465 3.450 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2occ3c2CCC3)c1 ZINC000796789279 626083431 /nfs/dbraw/zinc/08/34/31/626083431.db2.gz NBMGWBBLEBVHMA-HNNXBMFYSA-N 0 3 308.337 3.038 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000796822256 626087042 /nfs/dbraw/zinc/08/70/42/626087042.db2.gz YZLLWOCYJSINPM-GFCCVEGCSA-N 0 3 323.352 3.287 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000797145621 626118935 /nfs/dbraw/zinc/11/89/35/626118935.db2.gz AYOXJGUQUJXXRV-INIZCTEOSA-N 0 3 312.413 3.180 20 30 DGEDHN C=CCOCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000797283339 626133751 /nfs/dbraw/zinc/13/37/51/626133751.db2.gz MDCSAJKLQACHAS-UHFFFAOYSA-N 0 3 317.429 3.035 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2C2CC2)c1 ZINC000798815832 626247448 /nfs/dbraw/zinc/24/74/48/626247448.db2.gz DIKHHGHVRIJNLY-HNNXBMFYSA-N 0 3 308.337 3.427 20 30 DGEDHN Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1C#N ZINC000799334979 626291698 /nfs/dbraw/zinc/29/16/98/626291698.db2.gz JWLYKKMYGAZCFL-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000800385742 626355132 /nfs/dbraw/zinc/35/51/32/626355132.db2.gz DTUIJCMTMOFDEM-WFASDCNBSA-N 0 3 302.374 3.169 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000800409998 626357634 /nfs/dbraw/zinc/35/76/34/626357634.db2.gz RGZXWXCDGHITQU-WFASDCNBSA-N 0 3 320.820 3.491 20 30 DGEDHN COc1ccc(OC)c(CN(CCO[C@@H](C)C#N)C(C)(C)C)c1 ZINC000801929322 626426086 /nfs/dbraw/zinc/42/60/86/626426086.db2.gz RWWXJTUJMMNOBM-AWEZNQCLSA-N 0 3 320.433 3.233 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000801929849 626426331 /nfs/dbraw/zinc/42/63/31/626426331.db2.gz WFQIYHCKCJTAQW-UONOGXRCSA-N 0 3 315.442 3.404 20 30 DGEDHN Cc1[nH]c2ccccc2c1C1=CCN(CCO[C@@H](C)C#N)CC1 ZINC000801932967 626426745 /nfs/dbraw/zinc/42/67/45/626426745.db2.gz CWSYARIKKXZJPO-AWEZNQCLSA-N 0 3 309.413 3.494 20 30 DGEDHN C[C@@H](C#N)OCCN[C@H](COCc1ccccc1)c1ccccc1 ZINC000801938282 626426950 /nfs/dbraw/zinc/42/69/50/626426950.db2.gz DAANMWIQMROISP-FXAWDEMLSA-N 0 3 324.424 3.463 20 30 DGEDHN C=CCCC[C@H](NCC1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000883220253 626613430 /nfs/dbraw/zinc/61/34/30/626613430.db2.gz GXAACNQKHIEDNW-INIZCTEOSA-N 0 3 307.459 3.251 20 30 DGEDHN C=CCC[C@@H](NCc1snnc1C)[C@H]1Cc2ccccc2O1 ZINC000883224937 626615046 /nfs/dbraw/zinc/61/50/46/626615046.db2.gz VZNDOSIOWJCXFP-GDBMZVCRSA-N 0 3 315.442 3.275 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1sccc1Br ZINC000883390417 626670811 /nfs/dbraw/zinc/67/08/11/626670811.db2.gz LPCNZBGJGMREEE-NXEZZACHSA-N 0 3 304.253 3.488 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000883399071 626673143 /nfs/dbraw/zinc/67/31/43/626673143.db2.gz CQPWPMXZFCSBPG-GFCCVEGCSA-N 0 3 311.447 3.120 20 30 DGEDHN CN(C)c1ccc(CN=Nc2nccnc2C2CCC2)s1 ZINC000807992409 626784015 /nfs/dbraw/zinc/78/40/15/626784015.db2.gz DLFLBALPJCNUQO-UHFFFAOYSA-N 0 3 301.419 3.318 20 30 DGEDHN CCCCc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884046235 626809694 /nfs/dbraw/zinc/80/96/94/626809694.db2.gz XBTHBKLCCRHBQX-KOHRHEQBSA-N 0 3 311.429 3.107 20 30 DGEDHN CCCCc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884046236 626809870 /nfs/dbraw/zinc/80/98/70/626809870.db2.gz XBTHBKLCCRHBQX-WUJZJPHMSA-N 0 3 311.429 3.107 20 30 DGEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000809683704 626935638 /nfs/dbraw/zinc/93/56/38/626935638.db2.gz KYIHOBBKHWMCOZ-HNNXBMFYSA-N 0 3 302.381 3.046 20 30 DGEDHN C#C[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000809683957 626936045 /nfs/dbraw/zinc/93/60/45/626936045.db2.gz STDFJUSWWOAIIU-MRXNPFEDSA-N 0 3 316.408 3.105 20 30 DGEDHN C#C[C@H](NCc1ccc(Cl)cc1-n1cncn1)C(C)(C)C ZINC000809781728 626952492 /nfs/dbraw/zinc/95/24/92/626952492.db2.gz YXSCVYGCICUEEI-HNNXBMFYSA-N 0 3 302.809 3.058 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)C(C)(C)C ZINC000809781582 626952621 /nfs/dbraw/zinc/95/26/21/626952621.db2.gz WVOYCXPSGLSINS-QZTJIDSGSA-N 0 3 301.430 3.382 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)CN3[C@@H](C)CC[C@@H]3C)cc21 ZINC000885574072 627027715 /nfs/dbraw/zinc/02/77/15/627027715.db2.gz XXJYFSCDBKHKNV-KBPBESRZSA-N 0 3 312.417 3.034 20 30 DGEDHN COCc1ccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000886138562 627110595 /nfs/dbraw/zinc/11/05/95/627110595.db2.gz NHNJWWQVIROURB-GDBMZVCRSA-N 0 3 318.417 3.008 20 30 DGEDHN COC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000886209483 627121475 /nfs/dbraw/zinc/12/14/75/627121475.db2.gz NSYOTSVIPGELQU-JKSUJKDBSA-N 0 3 322.836 3.062 20 30 DGEDHN C#CCN(C(=O)c1cccc2ccccc21)C1CCN(C)CC1 ZINC000886589548 627169001 /nfs/dbraw/zinc/16/90/01/627169001.db2.gz YNYVMJVPLKSPDR-UHFFFAOYSA-N 0 3 306.409 3.009 20 30 DGEDHN CC[C@H](C)[C@H](NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O ZINC000887059149 627221021 /nfs/dbraw/zinc/22/10/21/627221021.db2.gz GNQCPBKADUJYPU-LIRRHRJNSA-N 0 3 321.424 3.215 20 30 DGEDHN C#CCC1(NCc2cccc(F)c2OC(F)F)CCOCC1 ZINC000887120519 627226407 /nfs/dbraw/zinc/22/64/07/627226407.db2.gz IGFBSMQKGIFZHS-UHFFFAOYSA-N 0 3 313.319 3.089 20 30 DGEDHN C#CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811518038 627285998 /nfs/dbraw/zinc/28/59/98/627285998.db2.gz DVGDTXHVDJHURM-MOPGFXCFSA-N 0 3 311.425 3.232 20 30 DGEDHN CC(C)[C@@H](C(=O)N(C)Cc1cc(C#N)cs1)N1CCCCC1 ZINC000887972459 627351321 /nfs/dbraw/zinc/35/13/21/627351321.db2.gz WNSONZOFECPANT-INIZCTEOSA-N 0 3 319.474 3.089 20 30 DGEDHN CCC#C[C@H](C)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000812857948 627430735 /nfs/dbraw/zinc/43/07/35/627430735.db2.gz VSGLKRJDRYNQMU-KXBFYZLASA-N 0 3 301.430 3.243 20 30 DGEDHN CC(C)N(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCOC1 ZINC000812862123 627431446 /nfs/dbraw/zinc/43/14/46/627431446.db2.gz OQDUGVVANHJTME-HNNXBMFYSA-N 0 3 308.809 3.242 20 30 DGEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214101 627468346 /nfs/dbraw/zinc/46/83/46/627468346.db2.gz SQPIVZFALBADLE-CHIMOYNISA-N 0 3 314.307 3.338 20 30 DGEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215320 627468368 /nfs/dbraw/zinc/46/83/68/627468368.db2.gz WSGHOKVUIMOEFT-BXKDBHETSA-N 0 3 312.291 3.092 20 30 DGEDHN O=[N+]([O-])c1ccccc1NNC1=C[C@H](C(F)(F)F)OCC1 ZINC000814685926 627583765 /nfs/dbraw/zinc/58/37/65/627583765.db2.gz QYZPZGWDVCSKCR-LLVKDONJSA-N 0 3 303.240 3.104 20 30 DGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=CC1CCCCC1 ZINC000815915305 627712729 /nfs/dbraw/zinc/71/27/29/627712729.db2.gz KKODFHFUZAFCKS-ODUNQGDFSA-N 0 3 315.348 3.163 20 30 DGEDHN N#CC1(CC(=O)OC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000816073729 627734421 /nfs/dbraw/zinc/73/44/21/627734421.db2.gz FKBQUSRDDURWEG-KRWDZBQOSA-N 0 3 312.413 3.278 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000925458758 627738374 /nfs/dbraw/zinc/73/83/74/627738374.db2.gz WGISDCGJQHFERK-DOMZBBRYSA-N 0 3 319.836 3.363 20 30 DGEDHN C[C@H]1[C@@H](OC(=O)CC2(C#N)CC2)CCCN1Cc1ccccc1 ZINC000816468997 627793239 /nfs/dbraw/zinc/79/32/39/627793239.db2.gz QJVXQXGBBVCHSJ-RDJZCZTQSA-N 0 3 312.413 3.277 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@H](CC)C1 ZINC000817414274 627897132 /nfs/dbraw/zinc/89/71/32/627897132.db2.gz DQLPFTVJWRHBQC-ZIAGYGMSSA-N 0 3 307.821 3.399 20 30 DGEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1C#N ZINC000926965427 627990535 /nfs/dbraw/zinc/99/05/35/627990535.db2.gz QYCMUWPYWPFCLS-ZDUSSCGKSA-N 0 3 321.380 3.048 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1SC(F)(F)F ZINC000818057448 627990780 /nfs/dbraw/zinc/99/07/80/627990780.db2.gz NLMQPNHXHFNUIS-SECBINFHSA-N 0 3 317.336 3.258 20 30 DGEDHN CCOc1ccccc1[C@@H](C)NCCNc1ccc(C#N)cn1 ZINC000927164764 628030540 /nfs/dbraw/zinc/03/05/40/628030540.db2.gz MLWCGDVSOCVTDB-CQSZACIVSA-N 0 3 310.401 3.115 20 30 DGEDHN Cc1ccc([C@H](NCCNc2ccc(C#N)cn2)C2CCC2)o1 ZINC000927165726 628030591 /nfs/dbraw/zinc/03/05/91/628030591.db2.gz UAQZAUDGEPCIJO-GOSISDBHSA-N 0 3 310.401 3.398 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1sc2cccc(F)c2c1C ZINC000818611734 628043111 /nfs/dbraw/zinc/04/31/11/628043111.db2.gz ANLGJURHQCOWKG-UHFFFAOYSA-N 0 3 318.417 3.034 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)c1c(F)cccc1F ZINC000819271118 628124439 /nfs/dbraw/zinc/12/44/39/628124439.db2.gz NUHZAQXVXIAEFH-IRXDYDNUSA-N 0 3 314.335 3.147 20 30 DGEDHN N#Cc1ccc([C@@H](O)CNCc2cc(C3CC3)ccc2F)cc1 ZINC000819338373 628135617 /nfs/dbraw/zinc/13/56/17/628135617.db2.gz AFPMXHNBNCKUKI-IBGZPJMESA-N 0 3 310.372 3.398 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1C ZINC000928454259 628151579 /nfs/dbraw/zinc/15/15/79/628151579.db2.gz QWZDTDZZQRWRMV-KUHUBIRLSA-N 0 3 319.408 3.048 20 30 DGEDHN C=CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCOCC1 ZINC000819951616 628204028 /nfs/dbraw/zinc/20/40/28/628204028.db2.gz DJDVZEIYLPPFMF-CYBMUJFWSA-N 0 3 310.353 3.377 20 30 DGEDHN C=C(C)C(C)(C)C(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000819964567 628205996 /nfs/dbraw/zinc/20/59/96/628205996.db2.gz WLCJLCCEIWIQEX-JTQLQIEISA-N 0 3 306.387 3.098 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000820478040 628263672 /nfs/dbraw/zinc/26/36/72/628263672.db2.gz CQEFLIIDIWZZEO-ZWKOTPCHSA-N 0 3 313.445 3.411 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894834 628607828 /nfs/dbraw/zinc/60/78/28/628607828.db2.gz XTHVKJJNUZHSJV-AWEZNQCLSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894834 628607830 /nfs/dbraw/zinc/60/78/30/628607830.db2.gz XTHVKJJNUZHSJV-AWEZNQCLSA-N 0 3 315.421 3.100 20 30 DGEDHN COC(=O)C1(C#N)CCN(C[C@@H](C)CCc2ccccc2)CC1 ZINC000824866750 628701559 /nfs/dbraw/zinc/70/15/59/628701559.db2.gz HROPKCCLNBMBKC-INIZCTEOSA-N 0 3 314.429 3.034 20 30 DGEDHN C#C[C@H](NCc1ccc(OCC=C)c(Cl)c1)C1CCOCC1 ZINC000827569695 628971993 /nfs/dbraw/zinc/97/19/93/628971993.db2.gz DALDPOWTEDCFKD-KRWDZBQOSA-N 0 3 319.832 3.423 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000827629243 628978098 /nfs/dbraw/zinc/97/80/98/628978098.db2.gz GLFVWSPLTBFKKB-UHFFFAOYSA-N 0 3 324.428 3.404 20 30 DGEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000827823934 628994637 /nfs/dbraw/zinc/99/46/37/628994637.db2.gz XDRVIWXLMYPCRI-UHFFFAOYSA-N 0 3 317.820 3.202 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000829773120 629189863 /nfs/dbraw/zinc/18/98/63/629189863.db2.gz AXTCAFXXBLWDPV-YJBOKZPZSA-N 0 3 314.429 3.148 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000829773645 629190363 /nfs/dbraw/zinc/19/03/63/629190363.db2.gz HSACWIQQXPUYRL-FGTMMUONSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000829774972 629190848 /nfs/dbraw/zinc/19/08/48/629190848.db2.gz WPRADYFUJKFKHE-BZUAXINKSA-N 0 3 316.420 3.127 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2CCC)CC1 ZINC000837108339 630214857 /nfs/dbraw/zinc/21/48/57/630214857.db2.gz RDZWNEKXIFHUPG-WMZOPIPTSA-N 0 3 304.478 3.054 20 30 DGEDHN CN1CCC[C@H](CNC(=O)C#CC(C)(C)C)[C@@H]1c1cccs1 ZINC000837435922 630257056 /nfs/dbraw/zinc/25/70/56/630257056.db2.gz STENPNKMNXOOSV-RHSMWYFYSA-N 0 3 318.486 3.297 20 30 DGEDHN Cc1cc(C#N)ccc1C(=O)OCCN(C)Cc1ccccc1 ZINC000837590731 630281341 /nfs/dbraw/zinc/28/13/41/630281341.db2.gz HURQQJBLGFZFKA-UHFFFAOYSA-N 0 3 308.381 3.156 20 30 DGEDHN CN(C)C[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)cc1 ZINC000837607683 630284940 /nfs/dbraw/zinc/28/49/40/630284940.db2.gz VELCIBZLVTUPMS-OAHLLOKOSA-N 0 3 306.837 3.108 20 30 DGEDHN C=CCOc1cccnc1C(=O)OC[C@H]1CCCCN1C(C)C ZINC000837614272 630286729 /nfs/dbraw/zinc/28/67/29/630286729.db2.gz YPWMCRLXKCJIDJ-OAHLLOKOSA-N 0 3 318.417 3.066 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C#CC(C)(C)C)C1 ZINC000837687708 630297367 /nfs/dbraw/zinc/29/73/67/630297367.db2.gz YAJVHLVJRZHAFO-KRWDZBQOSA-N 0 3 312.457 3.016 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CC23CCOCC3)c([O-])c1 ZINC000840709900 630350938 /nfs/dbraw/zinc/35/09/38/630350938.db2.gz OTRDFUCRBCMKSC-NFBGKYEXSA-N 0 3 302.418 3.226 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000840953423 630383323 /nfs/dbraw/zinc/38/33/23/630383323.db2.gz PVYHBBUHXRXRGE-OAHLLOKOSA-N 0 3 322.412 3.147 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000840956680 630384823 /nfs/dbraw/zinc/38/48/23/630384823.db2.gz BSNOMHVUYDCTOM-BPAFIMBUSA-N 0 3 322.408 3.285 20 30 DGEDHN C=CCCCCCCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000841321930 630428522 /nfs/dbraw/zinc/42/85/22/630428522.db2.gz NSBSXKOXHLQRNT-UHFFFAOYSA-N 0 3 316.449 3.375 20 30 DGEDHN COCCCON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842532573 630544695 /nfs/dbraw/zinc/54/46/95/630544695.db2.gz BURVFLYKAZXLJC-UHFFFAOYSA-N 0 3 302.418 3.224 20 30 DGEDHN C#CC[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000842628995 630555798 /nfs/dbraw/zinc/55/57/98/630555798.db2.gz HVDLZMQNMOLCTB-HNNXBMFYSA-N 0 3 324.384 3.151 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000842719695 630567915 /nfs/dbraw/zinc/56/79/15/630567915.db2.gz JHEPSGQTLMJEGS-HNNXBMFYSA-N 0 3 305.381 3.333 20 30 DGEDHN C#CCCCC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000843695776 630689262 /nfs/dbraw/zinc/68/92/62/630689262.db2.gz ILNKLRTZULCDSN-IBGZPJMESA-N 0 3 312.457 3.301 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1OCCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369237 630721879 /nfs/dbraw/zinc/72/18/79/630721879.db2.gz XAXMBVFVHMRRTD-MNEFBYGVSA-N 0 3 316.445 3.119 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1 ZINC000846016774 631206291 /nfs/dbraw/zinc/20/62/91/631206291.db2.gz WVSMWBUHXJPCRP-IBGZPJMESA-N 0 3 301.430 3.478 20 30 DGEDHN N#Cc1cccc(CN2CCC([NH2+]Cc3ccccc3[O-])CC2)c1 ZINC000846105874 631209830 /nfs/dbraw/zinc/20/98/30/631209830.db2.gz BOCLDEZNYTZDNC-UHFFFAOYSA-N 0 3 321.424 3.018 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000847022929 631383727 /nfs/dbraw/zinc/38/37/27/631383727.db2.gz AAXLOKVDGPLQHS-CQSZACIVSA-N 0 3 302.443 3.306 20 30 DGEDHN N#Cc1ccc(C2(NCC3(Br)CC3)CCC2)cc1 ZINC000847061067 631394237 /nfs/dbraw/zinc/39/42/37/631394237.db2.gz UKTGQOXCZVCIFG-UHFFFAOYSA-N 0 3 305.219 3.455 20 30 DGEDHN N#CC1(COC(=O)C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000847745970 631531454 /nfs/dbraw/zinc/53/14/54/631531454.db2.gz UILUAULYJZEQSE-UHFFFAOYSA-N 0 3 312.413 3.136 20 30 DGEDHN N#CC1(COC(=O)[C@@H]2CC23CC3)CCN(Cc2ccccc2)CC1 ZINC000847746965 631531657 /nfs/dbraw/zinc/53/16/57/631531657.db2.gz UDCZRGNLPILNFM-KRWDZBQOSA-N 0 3 324.424 3.136 20 30 DGEDHN CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H](N)CCCCC#N ZINC000848398026 631653862 /nfs/dbraw/zinc/65/38/62/631653862.db2.gz BSQSPXONBVVYJZ-INIZCTEOSA-N 0 3 313.445 3.284 20 30 DGEDHN COC(=O)c1ccc(N=NC2CCCN3CCCC[C@H]23)c(F)c1 ZINC000848412330 631656221 /nfs/dbraw/zinc/65/62/21/631656221.db2.gz NYYSSEFBTQITFN-MRXNPFEDSA-N 0 3 319.380 3.029 20 30 DGEDHN N#CCOc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848533170 631681732 /nfs/dbraw/zinc/68/17/32/631681732.db2.gz FEKXXAVGQAUGLK-KRWDZBQOSA-N 0 3 323.352 3.274 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2COC3(CCC3)C2)c([O-])c1 ZINC000849172465 631852775 /nfs/dbraw/zinc/85/27/75/631852775.db2.gz SOIVLKSVNAEXPA-IYSPOMMRSA-N 0 3 302.418 3.369 20 30 DGEDHN C=CCOCCCNCc1cc(Br)cnc1Cl ZINC000850378295 632132220 /nfs/dbraw/zinc/13/22/20/632132220.db2.gz XPPZODRAEIUFBN-UHFFFAOYSA-N 0 3 319.630 3.180 20 30 DGEDHN C[C@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC000850418156 632146853 /nfs/dbraw/zinc/14/68/53/632146853.db2.gz ZZUBKHWCRSXBMQ-GFCCVEGCSA-N 0 3 321.396 3.042 20 30 DGEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850760698 632218328 /nfs/dbraw/zinc/21/83/28/632218328.db2.gz CHJPWIMKLMJIAI-PRHODGIISA-N 0 3 324.167 3.191 20 30 DGEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CCCC2)cc1C ZINC000850767615 632218966 /nfs/dbraw/zinc/21/89/66/632218966.db2.gz DAAOTILKGAYTCQ-KSZLIROESA-N 0 3 324.424 3.175 20 30 DGEDHN C#CCNC(=O)CN[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C ZINC000007719215 632295254 /nfs/dbraw/zinc/29/52/54/632295254.db2.gz RANXXRKVBFKMGF-DNVCBOLYSA-N 0 3 300.446 3.236 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000852100002 632554673 /nfs/dbraw/zinc/55/46/73/632554673.db2.gz DQCIYTZPBZYVSN-LIRRHRJNSA-N 0 3 312.413 3.344 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2OC(C)C)[C@H](C)C1 ZINC000944242933 660216613 /nfs/dbraw/zinc/21/66/13/660216613.db2.gz YAWQWPNYFXTZEG-WBVHZDCISA-N 0 3 316.445 3.100 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@@H](C)C1 ZINC000944315383 660218925 /nfs/dbraw/zinc/21/89/25/660218925.db2.gz AJLPFIFPAZMHSD-JQWIXIFHSA-N 0 3 312.866 3.336 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000944305941 660219952 /nfs/dbraw/zinc/21/99/52/660219952.db2.gz PJMZIXBOQBEDLM-YJBOKZPZSA-N 0 3 312.457 3.058 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2Cl)[C@H](C)C1 ZINC000944445224 660223751 /nfs/dbraw/zinc/22/37/51/660223751.db2.gz NRXPYFUZUGDLGO-MLGOLLRUSA-N 0 3 324.827 3.414 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](C)C1 ZINC000944787155 660232493 /nfs/dbraw/zinc/23/24/93/660232493.db2.gz BKDCJLFPZGVVHJ-SWLSCSKDSA-N 0 3 306.475 3.245 20 30 DGEDHN C=CCCN1CC(CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001032232687 660239284 /nfs/dbraw/zinc/23/92/84/660239284.db2.gz DRRGSYQHQQEUOB-UHFFFAOYSA-N 0 3 318.804 3.324 20 30 DGEDHN C=CCCN1CC(CNC(=O)c2cscc2C(F)(F)F)C1 ZINC001032230371 660238685 /nfs/dbraw/zinc/23/86/85/660238685.db2.gz IREGCJSCDMEMEG-UHFFFAOYSA-N 0 3 318.364 3.005 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000997087658 660308555 /nfs/dbraw/zinc/30/85/55/660308555.db2.gz ZCJCHKRQTJVCGM-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000997097433 660308834 /nfs/dbraw/zinc/30/88/34/660308834.db2.gz JNEZCZXNQFPFOQ-BPQIPLTHSA-N 0 3 318.505 3.299 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001032400489 660312051 /nfs/dbraw/zinc/31/20/51/660312051.db2.gz JWFHLEHORYUFPJ-CAOSSQGBSA-N 0 3 316.470 3.021 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccccc2CC)CC1 ZINC000997281427 660317615 /nfs/dbraw/zinc/31/76/15/660317615.db2.gz VPQIKEDORHYVSV-MRXNPFEDSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C23CCC(CC2)C3(C)C)CC1 ZINC000997336224 660319206 /nfs/dbraw/zinc/31/92/06/660319206.db2.gz FMBNPPXXGPIXLB-XRTORIHISA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc(C)cn2c1 ZINC001032436677 660320978 /nfs/dbraw/zinc/32/09/78/660320978.db2.gz KAVIVYGXZZBYPA-OALUTQOASA-N 0 3 323.440 3.113 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)nc1 ZINC001032445170 660321417 /nfs/dbraw/zinc/32/14/17/660321417.db2.gz XRYJGDMMALRISZ-IRXDYDNUSA-N 0 3 313.445 3.070 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001038518391 660314634 /nfs/dbraw/zinc/31/46/34/660314634.db2.gz QJRLZGOICKFQIC-CZUORRHYSA-N 0 3 318.848 3.136 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)CC3CCCC3)C2)C1 ZINC001040432755 660330201 /nfs/dbraw/zinc/33/02/01/660330201.db2.gz VEAYZDPZYLGEJM-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000997418513 660324460 /nfs/dbraw/zinc/32/44/60/660324460.db2.gz SDFWJSTZXNYWGK-MRXNPFEDSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2sccc2C2CC2)CC1 ZINC000997417452 660324537 /nfs/dbraw/zinc/32/45/37/660324537.db2.gz KECVLATUCVTMCP-CYBMUJFWSA-N 0 3 316.470 3.089 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(CC)cc2)CC1 ZINC000997411343 660324594 /nfs/dbraw/zinc/32/45/94/660324594.db2.gz BQCFSNIYWGABBH-MRXNPFEDSA-N 0 3 312.457 3.103 20 30 DGEDHN 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MOJDZEHTXNDVQZ-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc3c2CCCC3)C1 ZINC001033848329 660670337 /nfs/dbraw/zinc/67/03/37/660670337.db2.gz AQGJXSJZWSZUCM-SFHVURJKSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3cccnc32)C1 ZINC001033888204 660676005 /nfs/dbraw/zinc/67/60/05/660676005.db2.gz REDUHCWLMQWELA-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2sc(C)cc2C)CC1 ZINC001005456083 660679585 /nfs/dbraw/zinc/67/95/85/660679585.db2.gz DPTCXOVINNRVDJ-UHFFFAOYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)ccc2F)C1 ZINC001033965153 660689014 /nfs/dbraw/zinc/68/90/14/660689014.db2.gz QGWBXDLZJFHCNW-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001033985843 660689349 /nfs/dbraw/zinc/68/93/49/660689349.db2.gz RKXWOMWFOUZXSC-FQEVSTJZSA-N 0 3 322.452 3.206 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034050263 660702544 /nfs/dbraw/zinc/70/25/44/660702544.db2.gz HZHDIGXZXITQGE-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001034034838 660697635 /nfs/dbraw/zinc/69/76/35/660697635.db2.gz GQJSXMYRCVQZQY-FQEVSTJZSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(F)ccc2F)CC1 ZINC001005512024 660715352 /nfs/dbraw/zinc/71/53/52/660715352.db2.gz UZBVDJLCTPXKBC-UHFFFAOYSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C(C)C)nc2)CC1 ZINC001005503980 660710645 /nfs/dbraw/zinc/71/06/45/660710645.db2.gz PDVIVQHAQNBGAW-UHFFFAOYSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034255755 660729085 /nfs/dbraw/zinc/72/90/85/660729085.db2.gz GLTDBYYPZJLSSP-SFHVURJKSA-N 0 3 315.461 3.195 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001034291317 660733048 /nfs/dbraw/zinc/73/30/48/660733048.db2.gz TZKJDNAGBSLGKS-INIZCTEOSA-N 0 3 304.409 3.158 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001034298083 660733553 /nfs/dbraw/zinc/73/35/53/660733553.db2.gz ANJHSUVKKFYJNJ-KRWDZBQOSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001034307626 660735582 /nfs/dbraw/zinc/73/55/82/660735582.db2.gz YDERPORAVIOLHM-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001034313380 660736146 /nfs/dbraw/zinc/73/61/46/660736146.db2.gz BZBATGPEFNWQHI-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001034327208 660737458 /nfs/dbraw/zinc/73/74/58/660737458.db2.gz XMAOSZIQBJAFKS-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001034335359 660738543 /nfs/dbraw/zinc/73/85/43/660738543.db2.gz DNMIMMIBKWFGRL-HNNXBMFYSA-N 0 3 315.392 3.077 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001034375564 660743522 /nfs/dbraw/zinc/74/35/22/660743522.db2.gz PPDDCGAPGAJAHK-CYBMUJFWSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001034381462 660745342 /nfs/dbraw/zinc/74/53/42/660745342.db2.gz MRPSXYWCKWGDKM-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001034383103 660746137 /nfs/dbraw/zinc/74/61/37/660746137.db2.gz SSGJRSSQBPUJSH-KRWDZBQOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001034428834 660749390 /nfs/dbraw/zinc/74/93/90/660749390.db2.gz PVKBWGLTZAWFLN-KRWDZBQOSA-N 0 3 316.420 3.014 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001034410709 660749479 /nfs/dbraw/zinc/74/94/79/660749479.db2.gz HYJICUXDVMSZHR-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001034428835 660749757 /nfs/dbraw/zinc/74/97/57/660749757.db2.gz PVKBWGLTZAWFLN-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001034436639 660753996 /nfs/dbraw/zinc/75/39/96/660753996.db2.gz ZZBDAOXUKXSDKK-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001034494246 660759738 /nfs/dbraw/zinc/75/97/38/660759738.db2.gz XWZUKNLVCVLIHO-CABCVRRESA-N 0 3 306.475 3.317 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001034497196 660760851 /nfs/dbraw/zinc/76/08/51/660760851.db2.gz PSKQGGUTGZHWAO-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001034484595 660761634 /nfs/dbraw/zinc/76/16/34/660761634.db2.gz ARWKCWXNHPCNAV-KRWDZBQOSA-N 0 3 311.429 3.018 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001034513026 660765111 /nfs/dbraw/zinc/76/51/11/660765111.db2.gz UEWJNJREWBBRPH-QGZVFWFLSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001034522841 660766788 /nfs/dbraw/zinc/76/67/88/660766788.db2.gz XGOLJRRUISYPAA-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001034540618 660770469 /nfs/dbraw/zinc/77/04/69/660770469.db2.gz JGBGZRDINFGKGB-HNNXBMFYSA-N 0 3 318.486 3.479 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001005681229 660788321 /nfs/dbraw/zinc/78/83/21/660788321.db2.gz TZWDIBXBICQGHV-SJORKVTESA-N 0 3 304.478 3.334 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)CC1 ZINC001005628261 660783475 /nfs/dbraw/zinc/78/34/75/660783475.db2.gz HJNAMAJCQWVVIE-QKNQBKEWSA-N 0 3 324.468 3.071 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001045604819 660795491 /nfs/dbraw/zinc/79/54/91/660795491.db2.gz AEBGOXOMTPGTJJ-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001035010705 660809034 /nfs/dbraw/zinc/80/90/34/660809034.db2.gz HLOQEHKBHGSRQB-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC(C)=C(C)C1)CC2 ZINC001035712393 660846657 /nfs/dbraw/zinc/84/66/57/660846657.db2.gz ULOJGZOTTIGKPO-SFHVURJKSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]1(C)CC=CCC1)CC2 ZINC001035715379 660846889 /nfs/dbraw/zinc/84/68/89/660846889.db2.gz XMJLWDRPBGBDLM-GOSISDBHSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC=CCC1)CC2 ZINC001035766745 660849977 /nfs/dbraw/zinc/84/99/77/660849977.db2.gz FMIFMQRQIURTBI-QGZVFWFLSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)CC2 ZINC001035798143 660853330 /nfs/dbraw/zinc/85/33/30/660853330.db2.gz AJNLFBSFCSUPSJ-IAGOWNOFSA-N 0 3 304.478 3.169 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)c1cccc(C)c1)CC2 ZINC001035808743 660855201 /nfs/dbraw/zinc/85/52/01/660855201.db2.gz XQVAGCKEKGMUGQ-GOSISDBHSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(CC)C(C)C)CC2 ZINC001035829464 660856629 /nfs/dbraw/zinc/85/66/29/660856629.db2.gz ZOWUYZCMTPHLOK-PXNSSMCTSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccoc1CCC)CC2 ZINC001035836894 660857391 /nfs/dbraw/zinc/85/73/91/660857391.db2.gz PDUYWPFVKLDMQP-UHFFFAOYSA-N 0 3 316.445 3.346 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@]1(C)CC=C(C)CC1)CC2 ZINC001035857164 660860497 /nfs/dbraw/zinc/86/04/97/660860497.db2.gz ZBAHOWVNYKZCCE-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001036425523 660904867 /nfs/dbraw/zinc/90/48/67/660904867.db2.gz BPGBYPSLJVADOI-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN CC(C)CC(=O)N1CC[C@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036627100 660937231 /nfs/dbraw/zinc/93/72/31/660937231.db2.gz HQDHTRONBCEPIJ-UXHICEINSA-N 0 3 324.468 3.007 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C2CCC2)C2CCC2)CC1 ZINC001005893348 660947575 /nfs/dbraw/zinc/94/75/75/660947575.db2.gz WQPJXEFMPJNMKU-UHFFFAOYSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC[C@@H]2C1 ZINC000946843357 660943700 /nfs/dbraw/zinc/94/37/00/660943700.db2.gz YMGMZHBQSZMWTP-VVLHAWIVSA-N 0 3 324.896 3.201 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC001006107258 660964062 /nfs/dbraw/zinc/96/40/62/660964062.db2.gz ANIVBGLNEUSVFF-DLBZAZTESA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)ccc2C)CC1 ZINC001006161052 660966327 /nfs/dbraw/zinc/96/63/27/660966327.db2.gz XPLJHADUROYZQS-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(F)c2Cl)CC1 ZINC001006054760 660959498 /nfs/dbraw/zinc/95/94/98/660959498.db2.gz UQBHIEPJOLHCJS-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)C[C@@H]1C ZINC000947981565 660967003 /nfs/dbraw/zinc/96/70/03/660967003.db2.gz YBWMSVHOZAAHFH-RYUDHWBXSA-N 0 3 312.866 3.479 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(C(F)F)c2)CC1 ZINC001006309306 660974088 /nfs/dbraw/zinc/97/40/88/660974088.db2.gz CZFMRZFBLDZWTN-UHFFFAOYSA-N 0 3 308.372 3.347 20 30 DGEDHN CCCCCCCCCN(C)C[C@H]1CCCS(=O)(=O)C1 ZINC000792863049 660989720 /nfs/dbraw/zinc/98/97/20/660989720.db2.gz QSFPLBRWASPOHP-MRXNPFEDSA-N 0 3 303.512 3.494 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)c1ccc(F)cc1 ZINC000794896838 661112393 /nfs/dbraw/zinc/11/23/93/661112393.db2.gz UTTPTQATDDVHPU-ZWKOTPCHSA-N 0 3 316.420 3.127 20 30 DGEDHN CC(=NNCc1ccccc1N(C)C)c1ccccc1N(C)C ZINC000794957122 661116723 /nfs/dbraw/zinc/11/67/23/661116723.db2.gz OCDFOFPCWOBIJY-UHFFFAOYSA-N 0 3 310.445 3.332 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795101338 661126651 /nfs/dbraw/zinc/12/66/51/661126651.db2.gz LWZKBHLQOAQQMH-XHSDSOJGSA-N 0 3 306.450 3.120 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001020454332 655539128 /nfs/dbraw/zinc/53/91/28/655539128.db2.gz TULOUMHMANKPRA-HDJSIYSDSA-N 0 3 317.820 3.079 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001020459409 655539295 /nfs/dbraw/zinc/53/92/95/655539295.db2.gz LKXGTVNGIMGXDL-HDJSIYSDSA-N 0 3 310.800 3.045 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)CC1 ZINC001020544077 655547022 /nfs/dbraw/zinc/54/70/22/655547022.db2.gz IFXYXCLOXFDSLI-QAQDUYKDSA-N 0 3 316.420 3.309 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3ccccc3nc2C)C1 ZINC000969783749 655557623 /nfs/dbraw/zinc/55/76/23/655557623.db2.gz ZFMBBFFBNBAUAL-AWEZNQCLSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000969830991 655559197 /nfs/dbraw/zinc/55/91/97/655559197.db2.gz YDNUBIZSWBWHMZ-AEFFLSMTSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001020627363 655562374 /nfs/dbraw/zinc/56/23/74/655562374.db2.gz IKWNIKRCEPBSGS-ABPIDSFRSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001039066745 655566755 /nfs/dbraw/zinc/56/67/55/655566755.db2.gz JCTIOQMWSYZOIN-CJNGLKHVSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001020815462 655576369 /nfs/dbraw/zinc/57/63/69/655576369.db2.gz AQOSXMCQNXJRJY-BIAGXBKMSA-N 0 3 312.885 3.438 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3ccccc3cc2F)C1 ZINC000970130726 655578894 /nfs/dbraw/zinc/57/88/94/655578894.db2.gz JHMGJWXPROZKCG-AWEZNQCLSA-N 0 3 324.399 3.052 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001039130916 655584733 /nfs/dbraw/zinc/58/47/33/655584733.db2.gz ALQLGFNBKRASJI-OAHLLOKOSA-N 0 3 310.869 3.100 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2sccc2CC)C1 ZINC000968683058 655585203 /nfs/dbraw/zinc/58/52/03/655585203.db2.gz XSXFPAORRIVMQV-ZFWWWQNUSA-N 0 3 306.475 3.327 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2nc3ccccc3cc2C)C1 ZINC000970182561 655587031 /nfs/dbraw/zinc/58/70/31/655587031.db2.gz QLXGFDWHDQYPGA-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC000970206667 655588905 /nfs/dbraw/zinc/58/89/05/655588905.db2.gz HGORGTQGVJCMKJ-OAHLLOKOSA-N 0 3 312.457 3.499 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC000970218385 655589512 /nfs/dbraw/zinc/58/95/12/655589512.db2.gz XFGDDMFTRISEDZ-OAHLLOKOSA-N 0 3 318.505 3.299 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001021105094 655590088 /nfs/dbraw/zinc/59/00/88/655590088.db2.gz QWLZGDQRNYCFPA-WKILWMFISA-N 0 3 304.821 3.167 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(Cl)c2F)C1 ZINC000970363713 655596302 /nfs/dbraw/zinc/59/63/02/655596302.db2.gz OKIVQGWFKFYCOE-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(Cl)c2F)C1 ZINC000970363715 655596344 /nfs/dbraw/zinc/59/63/44/655596344.db2.gz OKIVQGWFKFYCOE-NSHDSACASA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC000970365428 655596691 /nfs/dbraw/zinc/59/66/91/655596691.db2.gz CQORSYJPSCJISG-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(F)ccc2Cl)C1 ZINC000970482402 655602296 /nfs/dbraw/zinc/60/22/96/655602296.db2.gz LUUVPTBJSXOJMS-NSHDSACASA-N 0 3 310.800 3.105 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000970711445 655614125 /nfs/dbraw/zinc/61/41/25/655614125.db2.gz QWZLXSHGBVKOQW-OAHLLOKOSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC000970737092 655615447 /nfs/dbraw/zinc/61/54/47/655615447.db2.gz KHTBJYXCBWZOJZ-GFCCVEGCSA-N 0 3 304.459 3.252 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2nccs2)c([O-])c1 ZINC000255163000 655617830 /nfs/dbraw/zinc/61/78/30/655617830.db2.gz HTRDDINUBJABAY-ATVHPVEESA-N 0 3 303.431 3.357 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2OC(C)C)C1 ZINC000970768399 655618105 /nfs/dbraw/zinc/61/81/05/655618105.db2.gz FBQMTEXPLUQAJR-OAHLLOKOSA-N 0 3 316.445 3.100 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCC2CCCC2)C1 ZINC001021508212 655622328 /nfs/dbraw/zinc/62/23/28/655622328.db2.gz HKCMWRGPOVAKME-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCCCC2)C1 ZINC001021514452 655623250 /nfs/dbraw/zinc/62/32/50/655623250.db2.gz NKDOWUIDTHQSAT-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2CC(C)(C)C2)C1 ZINC001039221159 655624237 /nfs/dbraw/zinc/62/42/37/655624237.db2.gz LJCVLHDOZIKHBK-FUHWJXTLSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC000970846964 655629512 /nfs/dbraw/zinc/62/95/12/655629512.db2.gz XUZCLKVDJALMHQ-GFCCVEGCSA-N 0 3 306.475 3.245 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C)cs2)C1 ZINC001021577632 655635665 /nfs/dbraw/zinc/63/56/65/655635665.db2.gz HYZWCFJFEYXPGL-HZPDHXFCSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000970940006 655640157 /nfs/dbraw/zinc/64/01/57/655640157.db2.gz ZKNZLTBSYJEMQW-CQSZACIVSA-N 0 3 311.429 3.103 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947424273 655649443 /nfs/dbraw/zinc/64/94/43/655649443.db2.gz AQMKWXVFPDPMQH-RYUDHWBXSA-N 0 3 310.850 3.008 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C(C)C)c2)C1 ZINC001021708876 655660352 /nfs/dbraw/zinc/66/03/52/655660352.db2.gz HEEJNSIOOHMIGW-VQTJNVASSA-N 0 3 324.468 3.370 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(C)C)cc2)C1 ZINC001021722763 655664040 /nfs/dbraw/zinc/66/40/40/655664040.db2.gz QDQOZNGFUGYVLA-VQTJNVASSA-N 0 3 324.468 3.370 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C)cc2C)C1 ZINC001021727745 655664864 /nfs/dbraw/zinc/66/48/64/655664864.db2.gz OFDYNAUZEFAZIS-AZUAARDMSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCC1(NCc2cnc(C(=O)OCC)s2)CCCCC1 ZINC000933265151 655693324 /nfs/dbraw/zinc/69/33/24/655693324.db2.gz BGIDDUVIEOGPML-UHFFFAOYSA-N 0 3 306.431 3.136 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCC1 ZINC000933302030 655698546 /nfs/dbraw/zinc/69/85/46/655698546.db2.gz DTNIINSYHMQTFZ-NSHDSACASA-N 0 3 308.784 3.342 20 30 DGEDHN CC(C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1)=C1CCC1 ZINC000971506967 655701993 /nfs/dbraw/zinc/70/19/93/655701993.db2.gz CTRAXXWKWDGWRL-LJQANCHMSA-N 0 3 323.440 3.091 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2oc3c(cccc3F)c2C)C1 ZINC000971687590 655721418 /nfs/dbraw/zinc/72/14/18/655721418.db2.gz ZSZMCYJOJYXPOU-ZDUSSCGKSA-N 0 3 316.376 3.213 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000971785677 655726182 /nfs/dbraw/zinc/72/61/82/655726182.db2.gz YEWCSXULDXKPJL-QRVBRYPASA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(CC)CCC(F)(F)CC2)C1 ZINC000971815076 655730727 /nfs/dbraw/zinc/73/07/27/655730727.db2.gz YCEJIYYCOATZBA-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001022390999 655735092 /nfs/dbraw/zinc/73/50/92/655735092.db2.gz LJIBTRFRKPMHFN-PHIMTYICSA-N 0 3 317.191 3.082 20 30 DGEDHN C[C@H](NC(=O)Nc1ccc(C#N)cc1C1CC1)C1=CCN(C)CC1 ZINC000933846855 655735883 /nfs/dbraw/zinc/73/58/83/655735883.db2.gz FXCUUNFTQIFTSR-ZDUSSCGKSA-N 0 3 324.428 3.208 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC000971921986 655748436 /nfs/dbraw/zinc/74/84/36/655748436.db2.gz IECKKOSJTYVYND-MRXNPFEDSA-N 0 3 312.388 3.311 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000971952462 655750414 /nfs/dbraw/zinc/75/04/14/655750414.db2.gz JWOPXIJJNKWKTL-CZUORRHYSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC000972070891 655761965 /nfs/dbraw/zinc/76/19/65/655761965.db2.gz SQNQKSSWGUUFIJ-CQSZACIVSA-N 0 3 306.837 3.289 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972073830 655762191 /nfs/dbraw/zinc/76/21/91/655762191.db2.gz WHLUBVLFJYPTCN-KRWDZBQOSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000949631882 655774454 /nfs/dbraw/zinc/77/44/54/655774454.db2.gz VZZIDBVWJIAZON-IXDOHACOSA-N 0 3 304.478 3.169 20 30 DGEDHN CCC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972209185 655779205 /nfs/dbraw/zinc/77/92/05/655779205.db2.gz HBHOOZHOPFNINQ-QGZVFWFLSA-N 0 3 313.445 3.027 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001022769196 655783864 /nfs/dbraw/zinc/78/38/64/655783864.db2.gz IKWNIKRCEPBSGS-XGUBFFRZSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC000972320714 655788618 /nfs/dbraw/zinc/78/86/18/655788618.db2.gz OUYORYNZKXASCE-LBPRGKRZSA-N 0 3 312.335 3.096 20 30 DGEDHN CC(C)OCC[NH+]1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000255561241 655801147 /nfs/dbraw/zinc/80/11/47/655801147.db2.gz ZCZXXGRNGYPPGL-UNOMPAQXSA-N 0 3 324.852 3.354 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001022918557 655801409 /nfs/dbraw/zinc/80/14/09/655801409.db2.gz SIIAURRLRGQBOQ-BETUJISGSA-N 0 3 310.825 3.314 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000972479516 655804800 /nfs/dbraw/zinc/80/48/00/655804800.db2.gz VSQIRHUFVVFVMK-DLBZAZTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc3sccc32)C1 ZINC000972483097 655805189 /nfs/dbraw/zinc/80/51/89/655805189.db2.gz QOWARFLCUGOQQA-OAHLLOKOSA-N 0 3 314.454 3.163 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001038254356 655812045 /nfs/dbraw/zinc/81/20/45/655812045.db2.gz USOOMODRCKLZTI-LBPRGKRZSA-N 0 3 312.335 3.144 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C[C@H]1C ZINC000947546101 655821560 /nfs/dbraw/zinc/82/15/60/655821560.db2.gz BFZBTLDGYVSPQK-CZUORRHYSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000972578522 655837677 /nfs/dbraw/zinc/83/76/77/655837677.db2.gz JWLXYGGQKMPOAZ-KRWDZBQOSA-N 0 3 300.446 3.316 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001023507922 655838553 /nfs/dbraw/zinc/83/85/53/655838553.db2.gz CZTQGTQDHCIIPF-MRXNPFEDSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001023571148 655844099 /nfs/dbraw/zinc/84/40/99/655844099.db2.gz JCDOBLMTKGCERN-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001023613908 655848487 /nfs/dbraw/zinc/84/84/87/655848487.db2.gz PPCFNNLNVUDQAB-YRXWBPOGSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001023701804 655855833 /nfs/dbraw/zinc/85/58/33/655855833.db2.gz WIVVFJHLEJEZBH-CQSZACIVSA-N 0 3 316.470 3.091 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001023699666 655856090 /nfs/dbraw/zinc/85/60/90/655856090.db2.gz HLWOWDHSDRBBKG-KRWDZBQOSA-N 0 3 324.468 3.419 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001023727360 655858488 /nfs/dbraw/zinc/85/84/88/655858488.db2.gz HCECFENHEDCLKN-IPJUCJBFSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC000972667206 655861923 /nfs/dbraw/zinc/86/19/23/655861923.db2.gz KRUZBRGFKHVPMN-AWEZNQCLSA-N 0 3 300.427 3.234 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC000972693978 655866622 /nfs/dbraw/zinc/86/66/22/655866622.db2.gz UTRHWXSWLBERLN-RYUDHWBXSA-N 0 3 312.866 3.224 20 30 DGEDHN C#CCCCN[C@@H](C)c1ccccc1I ZINC000309123254 655872174 /nfs/dbraw/zinc/87/21/74/655872174.db2.gz OPWJXEITPCRUGX-NSHDSACASA-N 0 3 313.182 3.355 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000255740946 655892634 /nfs/dbraw/zinc/89/26/34/655892634.db2.gz LWLUPSPMJPQOEI-VCRXTVNUSA-N 0 3 320.433 3.245 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001036791901 661201795 /nfs/dbraw/zinc/20/17/95/661201795.db2.gz GSOOFPBITGTYRO-VZLFFANISA-N 0 3 310.869 3.264 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001024534047 655914119 /nfs/dbraw/zinc/91/41/19/655914119.db2.gz DFJJJBUEJSEDON-OAHLLOKOSA-N 0 3 322.474 3.055 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001024540310 655914757 /nfs/dbraw/zinc/91/47/57/655914757.db2.gz JNLGKPODUHRSKM-CYBMUJFWSA-N 0 3 323.387 3.180 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001024565700 655917977 /nfs/dbraw/zinc/91/79/77/655917977.db2.gz RTRQHQXOKVFEER-QGZVFWFLSA-N 0 3 315.461 3.167 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571734 655918789 /nfs/dbraw/zinc/91/87/89/655918789.db2.gz KNDXLPMWTCTFSU-FJIDUMEYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571735 655918834 /nfs/dbraw/zinc/91/88/34/655918834.db2.gz KNDXLPMWTCTFSU-MHORFTMASA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001024649225 655927822 /nfs/dbraw/zinc/92/78/22/655927822.db2.gz RKMJANSRMPFWBX-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001024673849 655928841 /nfs/dbraw/zinc/92/88/41/655928841.db2.gz PKEVHRDKJWULHT-HNNXBMFYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001038311915 655932287 /nfs/dbraw/zinc/93/22/87/655932287.db2.gz QTLXPVZLQMVQNR-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001024709838 655932486 /nfs/dbraw/zinc/93/24/86/655932486.db2.gz MGENOUKTSPSKGJ-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001024762647 655936294 /nfs/dbraw/zinc/93/62/94/655936294.db2.gz UXYKWBQHMZJHFA-HXUWFJFHSA-N 0 3 322.452 3.254 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001024768474 655937067 /nfs/dbraw/zinc/93/70/67/655937067.db2.gz RETFGQXXWRSGTK-INIZCTEOSA-N 0 3 320.383 3.232 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(F)cccc1Cl ZINC001024773415 655937206 /nfs/dbraw/zinc/93/72/06/655937206.db2.gz FNWXYMBDBLHPDN-CYBMUJFWSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001024790795 655939753 /nfs/dbraw/zinc/93/97/53/655939753.db2.gz QBSHHRQTYGTPDI-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001024791121 655939826 /nfs/dbraw/zinc/93/98/26/655939826.db2.gz VBQGJYGQXLYXBI-HXUWFJFHSA-N 0 3 324.468 3.173 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]cc1-c1ccccc1 ZINC001024804656 655940973 /nfs/dbraw/zinc/94/09/73/655940973.db2.gz XJNGJDMRPBWHGU-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001024819458 655941406 /nfs/dbraw/zinc/94/14/06/655941406.db2.gz PDPLZNPUSQELNP-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024811116 655941471 /nfs/dbraw/zinc/94/14/71/655941471.db2.gz MXPAENDVUWOOKP-LJQANCHMSA-N 0 3 310.441 3.172 20 30 DGEDHN C/C=C(\C)C(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024918013 655949634 /nfs/dbraw/zinc/94/96/34/655949634.db2.gz BYNXJSHVMYVZRB-XHAHAKLZSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C/Cl)C2)C1 ZINC001036815434 661207810 /nfs/dbraw/zinc/20/78/10/661207810.db2.gz FICLQVRFZNYFBE-VNGFFZMTSA-N 0 3 308.853 3.018 20 30 DGEDHN CCC(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC001025184208 655973575 /nfs/dbraw/zinc/97/35/75/655973575.db2.gz OOZODSRYDSLKNO-UXHICEINSA-N 0 3 324.468 3.294 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccsc1 ZINC001025199727 655976288 /nfs/dbraw/zinc/97/62/88/655976288.db2.gz YUKRDSDFOFHFDF-DLBZAZTESA-N 0 3 316.470 3.231 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001025204462 655977528 /nfs/dbraw/zinc/97/75/28/655977528.db2.gz OWETYYXNVFVEEZ-MSOLQXFVSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C ZINC001025202549 655978312 /nfs/dbraw/zinc/97/83/12/655978312.db2.gz ZBHWFRMGABCEBS-CVEARBPZSA-N 0 3 302.418 3.233 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnc(C)s1 ZINC001025209751 655978913 /nfs/dbraw/zinc/97/89/13/655978913.db2.gz NWYUNPNHAUSEIL-GJZGRUSLSA-N 0 3 319.474 3.097 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001025209195 655979054 /nfs/dbraw/zinc/97/90/54/655979054.db2.gz KLRSJAPECHIESH-RTBURBONSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025217929 655980188 /nfs/dbraw/zinc/98/01/88/655980188.db2.gz HAXISNODKMOQAY-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227609 655981739 /nfs/dbraw/zinc/98/17/39/655981739.db2.gz RNWSHXWRAOWGET-SJORKVTESA-N 0 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C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)cs1 ZINC001039415295 656495715 /nfs/dbraw/zinc/49/57/15/656495715.db2.gz CKDNMFPNSDOINI-KGLIPLIRSA-N 0 3 320.458 3.012 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cc[nH]c2c1 ZINC001039443109 656502255 /nfs/dbraw/zinc/50/22/55/656502255.db2.gz GUGQWGWFDKNJMF-MSOLQXFVSA-N 0 3 323.440 3.423 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCc2ccccc21 ZINC001039454824 656505745 /nfs/dbraw/zinc/50/57/45/656505745.db2.gz UGAFIJWKLNXNER-OTWHNJEPSA-N 0 3 324.468 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)o1 ZINC001039473522 656510634 /nfs/dbraw/zinc/51/06/34/656510634.db2.gz QGCAURWJBLPXBB-SJORKVTESA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2CC(C)C)C1 ZINC000980516064 656518055 /nfs/dbraw/zinc/51/80/55/656518055.db2.gz RJMUVOBUQPUJBK-KRWDZBQOSA-N 0 3 300.446 3.217 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)co2)C1 ZINC000980564796 656524467 /nfs/dbraw/zinc/52/44/67/656524467.db2.gz 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CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3)C2)C1 ZINC001040501457 656592524 /nfs/dbraw/zinc/59/25/24/656592524.db2.gz ZRXYSZSSADFEQD-WIYYLYMNSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccc(C(F)F)o3)C2)C1 ZINC001040512495 656592936 /nfs/dbraw/zinc/59/29/36/656592936.db2.gz GZANRAFUGOEBCU-KRWDZBQOSA-N 0 3 324.371 3.331 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]3CCC)C2)CC1 ZINC001040750105 656605082 /nfs/dbraw/zinc/60/50/82/656605082.db2.gz LYZWNDLWQLUYIF-ZWKOTPCHSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@H]3CC[C@H](C)C3)C2)CC1 ZINC001040810346 656608193 /nfs/dbraw/zinc/60/81/93/656608193.db2.gz BCBCKFWNCWPLCO-ROUUACIJSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3C[C@@]3(CC)C(C)C)C2)CC1 ZINC001040902528 656614499 /nfs/dbraw/zinc/61/44/99/656614499.db2.gz VCXMBLUNUNHBRA-XLIONFOSSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)c3ccccc3)C2)CC1 ZINC001040917829 656614730 /nfs/dbraw/zinc/61/47/30/656614730.db2.gz 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C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C(C)C)n1 ZINC001049573296 656643163 /nfs/dbraw/zinc/64/31/63/656643163.db2.gz RTCXVACXEZJWIO-MSOLQXFVSA-N 0 3 313.445 3.070 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)C3CCCC3)C2)C1 ZINC001041365601 656643686 /nfs/dbraw/zinc/64/36/86/656643686.db2.gz SRJQKPODJCVIEY-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)sc1C ZINC001049579741 656644241 /nfs/dbraw/zinc/64/42/41/656644241.db2.gz NTDXQRLPTNQHLO-HZPDHXFCSA-N 0 3 304.459 3.230 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1(C)CCCCC1 ZINC001049581193 656645356 /nfs/dbraw/zinc/64/53/56/656645356.db2.gz DMEKVSIFMDLMKD-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCC3CCCCCC3)C2)C1 ZINC001041479461 656649055 /nfs/dbraw/zinc/64/90/55/656649055.db2.gz KUWOXYRZGCCHEV-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001041544678 656653034 /nfs/dbraw/zinc/65/30/34/656653034.db2.gz 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DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2c1ccn2C ZINC001049789134 656687400 /nfs/dbraw/zinc/68/74/00/656687400.db2.gz WDJSDFNGIPUAII-RTBURBONSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2oc(C(F)F)cc2C)CC1 ZINC000981376502 656688967 /nfs/dbraw/zinc/68/89/67/656688967.db2.gz YMNDFNKTACKYLP-UHFFFAOYSA-N 0 3 312.360 3.250 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001049853527 656698910 /nfs/dbraw/zinc/69/89/10/656698910.db2.gz BGEVTSIELDBLEC-BRSBDYLESA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001049854284 656699706 /nfs/dbraw/zinc/69/97/06/656699706.db2.gz LWTVOKYWCGMXTI-MKXGPGLRSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1Cl ZINC001049859832 656702020 /nfs/dbraw/zinc/70/20/20/656702020.db2.gz WTXSBVQRBHCPCJ-HOTGVXAUSA-N 0 3 304.821 3.205 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)s1 ZINC001049869347 656706253 /nfs/dbraw/zinc/70/62/53/656706253.db2.gz BWVCOYJQOFFPFQ-QWHCGFSZSA-N 0 3 322.861 3.104 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CCCCC1 ZINC001049871249 656707142 /nfs/dbraw/zinc/70/71/42/656707142.db2.gz KXWXCKKZZPCYJI-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(F)cc1F ZINC001049875095 656708753 /nfs/dbraw/zinc/70/87/53/656708753.db2.gz JVULJJNAQGEVGN-DLBZAZTESA-N 0 3 320.383 3.220 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)c1ccccc1 ZINC001049875383 656709174 /nfs/dbraw/zinc/70/91/74/656709174.db2.gz FCCOSWJAVZDYHG-YSIASYRMSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)cc(C)cc1C ZINC001049882593 656713152 /nfs/dbraw/zinc/71/31/52/656713152.db2.gz ZHECAMGDQRWNKF-OALUTQOASA-N 0 3 324.468 3.314 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(C)cs3)C[C@H]21 ZINC001042042780 656715533 /nfs/dbraw/zinc/71/55/33/656715533.db2.gz KMGMGQWMVSOHPU-LSDHHAIUSA-N 0 3 304.459 3.169 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1cccc(F)c1 ZINC001049904148 656717371 /nfs/dbraw/zinc/71/73/71/656717371.db2.gz MYESYVPMZMRICL-FHLIZLRMSA-N 0 3 316.420 3.181 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccccc1C ZINC001049912911 656720293 /nfs/dbraw/zinc/72/02/93/656720293.db2.gz QQXKXTHHMNENIC-QXAKKESOSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]21 ZINC001042092194 656721498 /nfs/dbraw/zinc/72/14/98/656721498.db2.gz DXEPTMGDRSVJGX-GUYCJALGSA-N 0 3 320.383 3.077 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@H]21 ZINC001042092192 656721535 /nfs/dbraw/zinc/72/15/35/656721535.db2.gz DXEPTMGDRSVJGX-CXAGYDPISA-N 0 3 320.383 3.077 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049917599 656721957 /nfs/dbraw/zinc/72/19/57/656721957.db2.gz NDGHTSKRLXUWQX-GJZGRUSLSA-N 0 3 319.474 3.015 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC(C)(C)CC1 ZINC001049916260 656722059 /nfs/dbraw/zinc/72/20/59/656722059.db2.gz HBWKDTVSGYJBIM-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001049919468 656723353 /nfs/dbraw/zinc/72/33/53/656723353.db2.gz WFCUVVJFXBDVHW-BRWVUGGUSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1CC ZINC001049920796 656723733 /nfs/dbraw/zinc/72/37/33/656723733.db2.gz UUNBMMNIDZEETL-CVEARBPZSA-N 0 3 316.470 3.013 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C(C)(C)C)C1 ZINC001049923918 656724622 /nfs/dbraw/zinc/72/46/22/656724622.db2.gz OBDVZXRLFZGSKI-BHUNQDJPSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3CCC)C[C@H]21 ZINC001042146710 656727477 /nfs/dbraw/zinc/72/74/77/656727477.db2.gz UHNFBJKCCFCURA-PKOBYXMFSA-N 0 3 312.457 3.362 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCCCC1(C)C ZINC001049934675 656727646 /nfs/dbraw/zinc/72/76/46/656727646.db2.gz VEJHHXRRIHVVEL-OKZBNKHCSA-N 0 3 316.489 3.291 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)cccc1F ZINC001049931645 656727711 /nfs/dbraw/zinc/72/77/11/656727711.db2.gz KUXQNLJJWHPGQU-SJORKVTESA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000981579474 656727738 /nfs/dbraw/zinc/72/77/38/656727738.db2.gz HVAWUKQZNNOTAS-UHFFFAOYSA-N 0 3 310.800 3.203 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)CC1 ZINC001052678743 656747200 /nfs/dbraw/zinc/74/72/00/656747200.db2.gz ZOUPWQSLUXEBRI-MRXNPFEDSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(C[C@@H](F)CC)CC2)CC1 ZINC001052682707 656748516 /nfs/dbraw/zinc/74/85/16/656748516.db2.gz XXTXRRMMBWVSJC-IRXDYDNUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccc(C(F)F)o3)C[C@H]21 ZINC001042330529 656754961 /nfs/dbraw/zinc/75/49/61/656754961.db2.gz AVHRDRQXEICIHO-QWHCGFSZSA-N 0 3 324.371 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC000981753530 656757947 /nfs/dbraw/zinc/75/79/47/656757947.db2.gz FSQXJSCUVXLFQA-GOSISDBHSA-N 0 3 312.457 3.420 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2csc(Cl)c2)CC1 ZINC001052766995 656764832 /nfs/dbraw/zinc/76/48/32/656764832.db2.gz RIDSDSRHNWTIDS-CYBMUJFWSA-N 0 3 310.850 3.009 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 ZINC001052778525 656767501 /nfs/dbraw/zinc/76/75/01/656767501.db2.gz MPXWJFWSTOJYOB-SLFFLAALSA-N 0 3 324.468 3.011 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC001052785177 656768278 /nfs/dbraw/zinc/76/82/78/656768278.db2.gz CQPUJVQUJLGODH-SLFFLAALSA-N 0 3 324.468 3.093 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001052877720 656780139 /nfs/dbraw/zinc/78/01/39/656780139.db2.gz UADMRXWYMPOECW-HKUYNNGSSA-N 0 3 312.457 3.093 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc(C(F)F)c2)CC1 ZINC001052879815 656781317 /nfs/dbraw/zinc/78/13/17/656781317.db2.gz HKIJNGOISWWNTQ-INIZCTEOSA-N 0 3 320.383 3.232 20 30 DGEDHN CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001052886367 656783709 /nfs/dbraw/zinc/78/37/09/656783709.db2.gz JTSKQRFWMADTFJ-KRWDZBQOSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@](O)(CN1CC[C@@]2(CC(F)(F)C2(F)F)C1)C(F)(F)F ZINC000931911278 656791082 /nfs/dbraw/zinc/79/10/82/656791082.db2.gz WBCMKWGHLBZDKJ-BDAKNGLRSA-N 0 3 323.252 3.056 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCCCc3ccccc32)CC1 ZINC001052960740 656797747 /nfs/dbraw/zinc/79/77/47/656797747.db2.gz ZOJWKGFVULZINB-ICSRJNTNSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc4ccc(C)cc4[nH]3)C2)C1 ZINC000981922039 656804514 /nfs/dbraw/zinc/80/45/14/656804514.db2.gz IMBXJCDRFXPPAH-UHFFFAOYSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3occc3C(C)C)C2)C1 ZINC000981959781 656832772 /nfs/dbraw/zinc/83/27/72/656832772.db2.gz JRXGBSOHNSBPNV-UHFFFAOYSA-N 0 3 302.418 3.127 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001028178506 656837781 /nfs/dbraw/zinc/83/77/81/656837781.db2.gz RWBBGUGPYBCENX-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001053067223 656840819 /nfs/dbraw/zinc/84/08/19/656840819.db2.gz PQKSALPGJADKPN-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001053067445 656841663 /nfs/dbraw/zinc/84/16/63/656841663.db2.gz GZBZXWXWEXSPJL-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c2occc21 ZINC001038912919 656843550 /nfs/dbraw/zinc/84/35/50/656843550.db2.gz LXOPDMZNXYIAHB-GFCCVEGCSA-N 0 3 318.804 3.466 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C=C(\C)C2CC2)C1 ZINC001053072045 656844723 /nfs/dbraw/zinc/84/47/23/656844723.db2.gz OWWKCJDZENPFAM-SWALHDIXSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC2CCC2)C1 ZINC001053076219 656846290 /nfs/dbraw/zinc/84/62/90/656846290.db2.gz MXYZSJXBMFEYQR-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C(C)=C2CCC2)C1 ZINC001053086794 656849690 /nfs/dbraw/zinc/84/96/90/656849690.db2.gz OTMCWFICTVVMCO-RTBURBONSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2(C)CC2)C1 ZINC001053092543 656851142 /nfs/dbraw/zinc/85/11/42/656851142.db2.gz HSUFOWIVZRJNMY-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccc(C)cc2)C1 ZINC001053105518 656854224 /nfs/dbraw/zinc/85/42/24/656854224.db2.gz OZATYEDGMAGJRJ-VQTJNVASSA-N 0 3 324.468 3.335 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 ZINC000982033850 656870467 /nfs/dbraw/zinc/87/04/67/656870467.db2.gz KDRMGEASQASQDX-UHFFFAOYSA-N 0 3 322.811 3.203 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001054051041 656893687 /nfs/dbraw/zinc/89/36/87/656893687.db2.gz SGYXHHQDFJNARN-FUMNGEBKSA-N 0 3 324.468 3.152 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001054055549 656895102 /nfs/dbraw/zinc/89/51/02/656895102.db2.gz NVGKIPPVWWCUAO-RBUKOAKNSA-N 0 3 324.468 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001054056450 656895245 /nfs/dbraw/zinc/89/52/45/656895245.db2.gz IASKMMRYOVJCIG-SLFFLAALSA-N 0 3 324.468 3.152 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cccc(C(F)F)c3)C2)C1 ZINC000982123680 656900292 /nfs/dbraw/zinc/90/02/92/656900292.db2.gz LDCKSXLATGEAMD-UHFFFAOYSA-N 0 3 320.383 3.348 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@]3(C)CC=C(C)CC3)C2)C1 ZINC000982159787 656908706 /nfs/dbraw/zinc/90/87/06/656908706.db2.gz MIJATTJIRPNQRM-SFHVURJKSA-N 0 3 302.462 3.233 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C(C)C)C2 ZINC001054143160 656918692 /nfs/dbraw/zinc/91/86/92/656918692.db2.gz NYOQOIIHKYCXLN-NRFANRHFSA-N 0 3 324.468 3.371 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001054175406 656925089 /nfs/dbraw/zinc/92/50/89/656925089.db2.gz MPKHVONGPDPSFF-MAUKXSAKSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC001028237081 656933237 /nfs/dbraw/zinc/93/32/37/656933237.db2.gz PUQQMKDQKYCCCL-MRXNPFEDSA-N 0 3 323.440 3.002 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3sccc3Cl)C[C@]2(C)C1 ZINC000982285384 656936341 /nfs/dbraw/zinc/93/63/41/656936341.db2.gz CAOYWFCJEUELKI-IYBDPMFKSA-N 0 3 324.877 3.372 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CCC=CCC1)C2 ZINC001054243064 656945826 /nfs/dbraw/zinc/94/58/26/656945826.db2.gz WFQKWBKYACJBDL-HXUWFJFHSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C3CC3)cc1)C2 ZINC001054243296 656946210 /nfs/dbraw/zinc/94/62/10/656946210.db2.gz FFIBTIIMLSGWFQ-NRFANRHFSA-N 0 3 322.452 3.125 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001028254740 656947719 /nfs/dbraw/zinc/94/77/19/656947719.db2.gz BYZYLMOBEVIZPX-MRXNPFEDSA-N 0 3 309.413 3.062 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)c(F)cc1Cl ZINC001028286899 656972394 /nfs/dbraw/zinc/97/23/94/656972394.db2.gz FUJXIQFLOGXYOP-ZDUSSCGKSA-N 0 3 322.811 3.005 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001028302704 656987271 /nfs/dbraw/zinc/98/72/71/656987271.db2.gz VZBUWLLSAJSDJK-CQSZACIVSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCCCc2ccccc21 ZINC001028336755 656997392 /nfs/dbraw/zinc/99/73/92/656997392.db2.gz KCPOATXYZLXIJF-HKUYNNGSSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNCc1ncccc1C ZINC001045182034 656999306 /nfs/dbraw/zinc/99/93/06/656999306.db2.gz JGGMCMWXXWJDJP-QFBILLFUSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@@H](C)C3)C[C@]2(C)C1 ZINC000982498317 657021134 /nfs/dbraw/zinc/02/11/34/657021134.db2.gz WIQWJPGGJCFLRS-LFGUQSLTSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC001045571077 657038716 /nfs/dbraw/zinc/03/87/16/657038716.db2.gz GTFQXMBJOPDSTF-IRXDYDNUSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC001045586299 657040216 /nfs/dbraw/zinc/04/02/16/657040216.db2.gz MSWDPDFNLBHGIR-RBUKOAKNSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cccc(C(F)F)c2)CC1 ZINC001045623742 657044190 /nfs/dbraw/zinc/04/41/90/657044190.db2.gz YDPFCICVVGEQBI-UHFFFAOYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)c(CC)s2)CC1 ZINC001045635851 657047211 /nfs/dbraw/zinc/04/72/11/657047211.db2.gz WNSDHZXVVXRMPR-UHFFFAOYSA-N 0 3 306.475 3.389 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2csc(CC(C)C)n2)CC1 ZINC001045651977 657050381 /nfs/dbraw/zinc/05/03/81/657050381.db2.gz MDGGIZIGYAOIOJ-UHFFFAOYSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(Cl)cs3)C[C@]2(C)C1 ZINC000982613068 657062854 /nfs/dbraw/zinc/06/28/54/657062854.db2.gz XSDWHMDZJMHZNS-IYBDPMFKSA-N 0 3 324.877 3.372 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001000092225 657093257 /nfs/dbraw/zinc/09/32/57/657093257.db2.gz MLBSCCAQKYHBLC-YOEHRIQHSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C(C)(CC)CC)C[C@]2(C)C1 ZINC000982820788 657096686 /nfs/dbraw/zinc/09/66/86/657096686.db2.gz OPXURTSXKVVBBM-KDURUIRLSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1=CCCCCC1)C2 ZINC001045932585 657097724 /nfs/dbraw/zinc/09/77/24/657097724.db2.gz MOCZNYOOZUTPMK-FQEVSTJZSA-N 0 3 314.473 3.215 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(F)=C1CCCC1)C2 ZINC001045933386 657098263 /nfs/dbraw/zinc/09/82/63/657098263.db2.gz XVERSSGPQBYNLW-LJQANCHMSA-N 0 3 318.436 3.122 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)(C)CC)cc2)C1 ZINC001028618003 657100737 /nfs/dbraw/zinc/10/07/37/657100737.db2.gz MAYFTNMKQWRYKX-INIZCTEOSA-N 0 3 312.457 3.059 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C1CCC1)C2 ZINC001045948138 657103186 /nfs/dbraw/zinc/10/31/86/657103186.db2.gz WIKYCDXXWABTCO-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@]1(C)C=CCC1)C2 ZINC001045959294 657105745 /nfs/dbraw/zinc/10/57/45/657105745.db2.gz MLSVRXJHDWZXEI-WOJBJXKFSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(C(C)C)CC1)C2 ZINC001045963071 657107679 /nfs/dbraw/zinc/10/76/79/657107679.db2.gz DYSTULPNGDEWLX-IBGZPJMESA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cccc(C)c1C)C2 ZINC001045983359 657112373 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C#CCN1CCC2(C[C@H]2NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001017000683 658368991 /nfs/dbraw/zinc/36/89/91/658368991.db2.gz XQAHZPMYHWYVCY-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001017551595 658438001 /nfs/dbraw/zinc/43/80/01/658438001.db2.gz FVGMDGWLJWOMHZ-YESZJQIVSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001017569882 658439674 /nfs/dbraw/zinc/43/96/74/658439674.db2.gz SYUWOTIFQJCWNW-MTHXSQLBSA-N 0 3 314.473 3.230 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@@H]1C ZINC001017579060 658442011 /nfs/dbraw/zinc/44/20/11/658442011.db2.gz ZVZSXWBFLCXQTQ-XWTMOSNGSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC(F)(F)C1 ZINC001017605379 658445187 /nfs/dbraw/zinc/44/51/87/658445187.db2.gz WIBQRFMOTFRNJV-KFWWJZLASA-N 0 3 312.404 3.063 20 30 DGEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC000989236181 658454422 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DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC000966751590 658496244 /nfs/dbraw/zinc/49/62/44/658496244.db2.gz KVAYCOYLMRZHRM-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001018166492 658508946 /nfs/dbraw/zinc/50/89/46/658508946.db2.gz RUYBIYPKBBDXDF-RYQLBKOJSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1C ZINC001018197764 658514170 /nfs/dbraw/zinc/51/41/70/658514170.db2.gz VHBZFLOLZCQYGI-CALCHBBNSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000989629347 658532711 /nfs/dbraw/zinc/53/27/11/658532711.db2.gz APRTZKJGHUDJCG-UHFFFAOYSA-N 0 3 322.836 3.073 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCC1(C)C ZINC001018323816 658537693 /nfs/dbraw/zinc/53/76/93/658537693.db2.gz DFKPHCHIZKWMJO-IXDOHACOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000989721950 658554464 /nfs/dbraw/zinc/55/44/64/658554464.db2.gz 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/nfs/dbraw/zinc/57/24/09/661572409.db2.gz CXMKUNPIUILPEO-DZGCQCFKSA-N 0 3 308.397 3.176 20 30 DGEDHN CCCN(C(=O)Nc1ccc(CCC#N)cc1)[C@H]1CCN(C)C1 ZINC000932563303 661579814 /nfs/dbraw/zinc/57/98/14/661579814.db2.gz BQTUMOQYZSUNOF-KRWDZBQOSA-N 0 3 314.433 3.091 20 30 DGEDHN Cc1cc(F)ccc1[C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000932567084 661580926 /nfs/dbraw/zinc/58/09/26/661580926.db2.gz LFZJBWLCFZRMRW-IYOUNJFTSA-N 0 3 319.424 3.228 20 30 DGEDHN N#CC1(CCN2CCC(N3CCCOC3=O)CC2)CCCCC1 ZINC000933616695 661645180 /nfs/dbraw/zinc/64/51/80/661645180.db2.gz RIWZEAOPDLLECZ-UHFFFAOYSA-N 0 3 319.449 3.157 20 30 DGEDHN O=C1C=COC2(CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000933648793 661647706 /nfs/dbraw/zinc/64/77/06/661647706.db2.gz RXOXYUOCPDKYOP-UHFFFAOYSA-N 0 3 308.381 3.073 20 30 DGEDHN O=C1C=COC2(CCN(CCSc3ccccc3)CC2)C1 ZINC000933652839 661648213 /nfs/dbraw/zinc/64/82/13/661648213.db2.gz SICRKIFJUWFSST-UHFFFAOYSA-N 0 3 303.427 3.116 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000934631672 661720319 /nfs/dbraw/zinc/72/03/19/661720319.db2.gz NSSXJIYOAUWUFD-KBPBESRZSA-N 0 3 312.413 3.190 20 30 DGEDHN N#CC1(CCCCN2CCOC[C@H]2CC2CCOCC2)CCC1 ZINC000934640074 661721724 /nfs/dbraw/zinc/72/17/24/661721724.db2.gz OEXZTRSGDHKJEL-GOSISDBHSA-N 0 3 320.477 3.368 20 30 DGEDHN C#Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000934932181 661749437 /nfs/dbraw/zinc/74/94/37/661749437.db2.gz YUSRPJKUJWRNJL-UHFFFAOYSA-N 0 3 311.429 3.150 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)C=C2CCC2)CCN1Cc1cccc(C#N)c1 ZINC000947185450 661894666 /nfs/dbraw/zinc/89/46/66/661894666.db2.gz MKQUEBPGNLLTCF-KXBFYZLASA-N 0 3 323.440 3.138 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)C=C2CCC2)CCN1Cc1cccc(C#N)c1 ZINC000947185447 661894778 /nfs/dbraw/zinc/89/47/78/661894778.db2.gz MKQUEBPGNLLTCF-BEFAXECRSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CCC)s2)C[C@H]1C ZINC000947358104 661904194 /nfs/dbraw/zinc/90/41/94/661904194.db2.gz YZBXTJLNCGIMHR-KGLIPLIRSA-N 0 3 306.475 3.469 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C[C@H]1C ZINC000947445274 661908991 /nfs/dbraw/zinc/90/89/91/661908991.db2.gz JTHKEUUTOXLCDN-CJNGLKHVSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C[C@H]1C ZINC000947511791 661913036 /nfs/dbraw/zinc/91/30/36/661913036.db2.gz QNMVBBKEEZDEFL-AEFFLSMTSA-N 0 3 323.440 3.246 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CCCC)cc2)C[C@H]1C ZINC000947518928 661913668 /nfs/dbraw/zinc/91/36/68/661913668.db2.gz ALOWGXRKYCPRTQ-APWZRJJASA-N 0 3 312.457 3.245 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C[C@@H]1C ZINC000947586033 661918560 /nfs/dbraw/zinc/91/85/60/661918560.db2.gz UJSKXFUUACRUNP-DOTOQJQBSA-N 0 3 323.440 3.082 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C[C@@H]1C ZINC000947603257 661919986 /nfs/dbraw/zinc/91/99/86/661919986.db2.gz QVIMMNRJHDHCGE-RDJZCZTQSA-N 0 3 323.440 3.082 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ncccc3s2)C[C@@H]1C ZINC000947615630 661920488 /nfs/dbraw/zinc/92/04/88/661920488.db2.gz KGUXUTAEHSYEJR-STQMWFEESA-N 0 3 315.442 3.065 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2F)C[C@@H]1C ZINC000947671129 661923865 /nfs/dbraw/zinc/92/38/65/661923865.db2.gz KWALZEQVAXEZEW-QWHCGFSZSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3occc3s2)C[C@@H]1C ZINC000947719540 661926433 /nfs/dbraw/zinc/92/64/33/661926433.db2.gz OUTYXJMMPCVOPW-STQMWFEESA-N 0 3 316.426 3.100 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccn(C(CC)CC)n2)C[C@H]1C ZINC000947779754 661931185 /nfs/dbraw/zinc/93/11/85/661931185.db2.gz SIWCDHFGSRARNV-HUUCEWRRSA-N 0 3 318.465 3.013 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(CC)CC)n2)C[C@H]1C ZINC000947779752 661931376 /nfs/dbraw/zinc/93/13/76/661931376.db2.gz SIWCDHFGSRARNV-CABCVRRESA-N 0 3 318.465 3.013 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)C[C@H]1C ZINC000947813949 661933107 /nfs/dbraw/zinc/93/31/07/661933107.db2.gz FTCYVPDIBDQHKK-CABCVRRESA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)C[C@@H]1C ZINC000947834494 661933757 /nfs/dbraw/zinc/93/37/57/661933757.db2.gz ZEDAZOYKBBCYHI-KBPBESRZSA-N 0 3 306.837 3.417 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C[C@@H]1C ZINC000947857434 661934823 /nfs/dbraw/zinc/93/48/23/661934823.db2.gz LKCGYZDVNCDJAO-XSLAGTTESA-N 0 3 304.478 3.051 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3ccncc32)C[C@H]1C ZINC000947877562 661935535 /nfs/dbraw/zinc/93/55/35/661935535.db2.gz DKHJEMJZVFXOIG-GDBMZVCRSA-N 0 3 309.413 3.004 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C[C@@H]1C ZINC000947877885 661935700 /nfs/dbraw/zinc/93/57/00/661935700.db2.gz GXQSGYGJDASWRL-GOEBONIOSA-N 0 3 316.445 3.317 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CC(C)C)cc2)C[C@@H]1C ZINC000948011596 661944656 /nfs/dbraw/zinc/94/46/56/661944656.db2.gz JMNBJCCQGWADGT-LPHOPBHVSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)C[C@H]1C ZINC000948035648 661945910 /nfs/dbraw/zinc/94/59/10/661945910.db2.gz HPXZHBRAIJTCKC-NVXWUHKLSA-N 0 3 323.440 3.450 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CCCC3)no2)C[C@@H]1C ZINC000948055349 661946835 /nfs/dbraw/zinc/94/68/35/661946835.db2.gz ATBNHPJLWVOCCJ-ZFWWWQNUSA-N 0 3 317.433 3.101 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C[C@@H]1C ZINC000948078160 661948411 /nfs/dbraw/zinc/94/84/11/661948411.db2.gz INWZARZRVVGWDA-PKOBYXMFSA-N 0 3 324.468 3.019 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C[C@H]1C ZINC000948077365 661948747 /nfs/dbraw/zinc/94/87/47/661948747.db2.gz CMCJLEQLMPQIAT-DNVCBOLYSA-N 0 3 310.441 3.170 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C[C@@H]1C ZINC000948082868 661949753 /nfs/dbraw/zinc/94/97/53/661949753.db2.gz JQOGENGFLNAMEN-MVYVIFSASA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)c(CC)c2)C[C@H]1C ZINC000948098573 661950738 /nfs/dbraw/zinc/95/07/38/661950738.db2.gz CCHYLNKCJLJERA-DNVCBOLYSA-N 0 3 312.457 3.027 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccccc2C(C)C)CC1 ZINC000948425299 661974637 /nfs/dbraw/zinc/97/46/37/661974637.db2.gz PENSDPOHZWYSDY-KRWDZBQOSA-N 0 3 312.457 3.370 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000948656175 661989079 /nfs/dbraw/zinc/98/90/79/661989079.db2.gz VXSHWNRDAIJLEI-QGZVFWFLSA-N 0 3 323.440 3.036 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC000948680438 661990280 /nfs/dbraw/zinc/99/02/80/661990280.db2.gz IHQJCXDBXDGNPG-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2c(C)cccc2C)CC1 ZINC000948799978 661998782 /nfs/dbraw/zinc/99/87/82/661998782.db2.gz BUNDEGQRLHYYOL-SFHVURJKSA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000948868588 662003876 /nfs/dbraw/zinc/00/38/76/662003876.db2.gz QFZGNPASKDIGGK-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccc(C)s1 ZINC000080378943 662138737 /nfs/dbraw/zinc/13/87/37/662138737.db2.gz XXUJEQXDEVCOHA-HNNXBMFYSA-N 0 3 320.458 3.395 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193902426 662152859 /nfs/dbraw/zinc/15/28/59/662152859.db2.gz BACMEWUQCAZSJC-ZDUSSCGKSA-N 0 3 311.341 3.348 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001046384102 685399757 /nfs/dbraw/zinc/39/97/57/685399757.db2.gz XXQTWIZVEUSKMF-LNLFQRSKSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2c(C)noc2C(C)C)CC[C@@H]1C ZINC001071583595 686694602 /nfs/dbraw/zinc/69/46/02/686694602.db2.gz JFRPZXBOTLYGHF-DZGCQCFKSA-N 0 3 319.449 3.265 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@H]1C ZINC001071653428 686713308 /nfs/dbraw/zinc/71/33/08/686713308.db2.gz XYAUPQMIEOVUKC-RHSMWYFYSA-N 0 3 313.445 3.118 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc3ccccc32)CC[C@@H]1C ZINC001071660546 686714741 /nfs/dbraw/zinc/71/47/41/686714741.db2.gz XRVDNRZRUFYYRF-JKSUJKDBSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc3ccccc32)CC[C@H]1C ZINC001071660543 686714908 /nfs/dbraw/zinc/71/49/08/686714908.db2.gz XRVDNRZRUFYYRF-CVEARBPZSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(Cl)ccc2F)CC[C@@H]1C ZINC001071662079 686715992 /nfs/dbraw/zinc/71/59/92/686715992.db2.gz AHJBCHCUJVDEKG-GXTWGEPZSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C(F)F)cc2)CC[C@@H]1C ZINC001071680626 686722577 /nfs/dbraw/zinc/72/25/77/686722577.db2.gz VODZVRWFMGXVDS-XJKSGUPXSA-N 0 3 322.399 3.322 20 30 DGEDHN C=CCN1C[C@H](NC(=O)c2ccc(C)c3cccnc23)CC[C@@H]1C ZINC001071695762 686725618 /nfs/dbraw/zinc/72/56/18/686725618.db2.gz SVDRMNACHKEYIW-JKSUJKDBSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)noc2C2CC2)CC[C@H]1C ZINC001071696039 686725889 /nfs/dbraw/zinc/72/58/89/686725889.db2.gz WBOSHAHQDNCEBF-DOMZBBRYSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(C3CC3)c2)CC[C@H]1C ZINC001071701843 686727921 /nfs/dbraw/zinc/72/79/21/686727921.db2.gz PELQOKAQXYMVAI-BEFAXECRSA-N 0 3 312.457 3.262 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)CC[C@H]1C ZINC001071732302 686736124 /nfs/dbraw/zinc/73/61/24/686736124.db2.gz RRBMNXIENMYIFQ-WBVHZDCISA-N 0 3 323.440 3.082 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc[nH]c2C(C)C)CC[C@@H]1C ZINC001071761694 686743386 /nfs/dbraw/zinc/74/33/86/686743386.db2.gz BGRLCDHYSKQMRG-LSDHHAIUSA-N 0 3 303.450 3.297 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2occc2C(C)C)CC[C@@H]1C ZINC001071762776 686744201 /nfs/dbraw/zinc/74/42/01/686744201.db2.gz QEYKIHATDGGCQQ-GJZGRUSLSA-N 0 3 302.418 3.009 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C2CCC2)C2CCC2)CC[C@H]1C ZINC001071771893 686746512 /nfs/dbraw/zinc/74/65/12/686746512.db2.gz AZPFFPNYOBAUGM-QAPCUYQASA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2ccccc2-n2cccc2)CC[C@H]1C ZINC001071792378 686755563 /nfs/dbraw/zinc/75/55/63/686755563.db2.gz IHCIPWVSCJWDOR-SJORKVTESA-N 0 3 323.440 3.246 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)c(Cl)c2)CC[C@@H]1C ZINC001071793093 686755999 /nfs/dbraw/zinc/75/59/99/686755999.db2.gz UUIQFJPNYJPHLU-HOCLYGCPSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2C2(C)CC2)CC[C@@H]1C ZINC001071821071 686761560 /nfs/dbraw/zinc/76/15/60/686761560.db2.gz IWDJITGEWIVJBX-DLBZAZTESA-N 0 3 324.468 3.344 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)CC[C@H]1C ZINC001071828206 686763717 /nfs/dbraw/zinc/76/37/17/686763717.db2.gz KYOXCAVXRXZXLY-ZBFHGGJFSA-N 0 3 315.461 3.441 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC(F)(F)CC2)CC[C@@H]1C ZINC001071844594 686770087 /nfs/dbraw/zinc/77/00/87/686770087.db2.gz PJIPMGHPSLMRHJ-ZFWWWQNUSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(Cl)s2)CC[C@@H]1C ZINC001071871518 686777591 /nfs/dbraw/zinc/77/75/91/686777591.db2.gz IMOVJXDTCOKBFA-RYUDHWBXSA-N 0 3 312.866 3.099 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@@H]1C ZINC001071947851 686794308 /nfs/dbraw/zinc/79/43/08/686794308.db2.gz ZRWPVUQJGJAMRE-DZGCQCFKSA-N 0 3 301.434 3.051 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3ccccc3n2)CC[C@@H]1C ZINC001072019223 686824763 /nfs/dbraw/zinc/82/47/63/686824763.db2.gz FLMWCMICXJWQMB-DOTOQJQBSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)CC[C@@H]1C ZINC001072022514 686828696 /nfs/dbraw/zinc/82/86/96/686828696.db2.gz BFWRTLRJVKOLRP-WMZOPIPTSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C ZINC001072039777 686837909 /nfs/dbraw/zinc/83/79/09/686837909.db2.gz CQSLRTTVIXBAPQ-JSGCOSHPSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)cc2C)CC[C@H]1C ZINC001072040102 686838138 /nfs/dbraw/zinc/83/81/38/686838138.db2.gz HMNPBXTXWYMFKM-SJORKVTESA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(F)cc(F)c2)CC[C@@H]1C ZINC001072051045 686846329 /nfs/dbraw/zinc/84/63/29/686846329.db2.gz FGESMDVFJNPWMO-LRDDRELGSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccccc2Cl)CC[C@H]1C ZINC001072052359 686847703 /nfs/dbraw/zinc/84/77/03/686847703.db2.gz MDPBJKKOJINKOX-ZBFHGGJFSA-N 0 3 320.864 3.428 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@@H]1C ZINC001072055256 686849228 /nfs/dbraw/zinc/84/92/28/686849228.db2.gz RLUUDJNUOJMPFT-GOEBONIOSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2sc(C)nc2C)CC[C@H]1C ZINC001072055259 686850464 /nfs/dbraw/zinc/85/04/64/686850464.db2.gz RLXAPWJNTHAAMZ-DOMZBBRYSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2nc(C)c(C)s2)CC[C@@H]1C ZINC001072088522 686859224 /nfs/dbraw/zinc/85/92/24/686859224.db2.gz MVMJKYGPONNNHI-WFASDCNBSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccoc2C(C)C)CC[C@@H]1C ZINC001072101114 686866149 /nfs/dbraw/zinc/86/61/49/686866149.db2.gz DIYOFIAIDRVHGX-LSDHHAIUSA-N 0 3 302.418 3.009 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)CC[C@H]1C ZINC001072103263 686867871 /nfs/dbraw/zinc/86/78/71/686867871.db2.gz VUSGUAJXWUYNOE-CABCVRRESA-N 0 3 311.429 3.245 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)c3ccccc3F)C2)C1 ZINC001073062493 687007149 /nfs/dbraw/zinc/00/71/49/687007149.db2.gz COLDCOJQYJSRJG-HNNXBMFYSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)c3cc4ccccc4o3)C2)C1 ZINC001073113683 687013514 /nfs/dbraw/zinc/01/35/14/687013514.db2.gz VWAADBJOYVHDHR-OAHLLOKOSA-N 0 3 324.424 3.257 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3c(C)csc3Cl)C2)C1 ZINC001073153113 687019884 /nfs/dbraw/zinc/01/98/84/687019884.db2.gz UNUOJLXFMVECHL-UHFFFAOYSA-N 0 3 310.850 3.044 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(C4CCCCC4)CC3)C2)C1 ZINC001073152605 687020195 /nfs/dbraw/zinc/02/01/95/687020195.db2.gz JINBTDVCTWSRIT-UHFFFAOYSA-N 0 3 302.462 3.067 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCCCc4ccccc43)C2)C1 ZINC001073469970 687201025 /nfs/dbraw/zinc/20/10/25/687201025.db2.gz RRHUAZCYQZMMFC-IBGZPJMESA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCCCC3(C)C)C2)C1 ZINC001073495800 687206739 /nfs/dbraw/zinc/20/67/39/687206739.db2.gz UKBXWQMIVWKGIQ-INIZCTEOSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)CC)CC2)CC1 ZINC001075441426 687381375 /nfs/dbraw/zinc/38/13/75/687381375.db2.gz GJXJPEATHBGFLZ-HNNXBMFYSA-N 0 3 312.885 3.490 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001075788357 687441075 /nfs/dbraw/zinc/44/10/75/687441075.db2.gz FAIYZDIJZHVGSA-YESZJQIVSA-N 0 3 302.462 3.066 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)[C@@H]2C1 ZINC001076318247 687508184 /nfs/dbraw/zinc/50/81/84/687508184.db2.gz PJPONBDRWMSAOM-BPQIPLTHSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001076472912 687527220 /nfs/dbraw/zinc/52/72/20/687527220.db2.gz ZNDQYEHPDDITNI-YTQUADARSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2sccc2C)C12CCC2 ZINC001078535021 687678073 /nfs/dbraw/zinc/67/80/73/687678073.db2.gz YJLNOCWEFUEPIH-CHWSQXEVSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2F)C12CCC2 ZINC001078538691 687678784 /nfs/dbraw/zinc/67/87/84/687678784.db2.gz GWSPDEGRISDTRE-LSDHHAIUSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C12CCC2 ZINC001078592166 687686479 /nfs/dbraw/zinc/68/64/79/687686479.db2.gz ZHIXELFDJKVQOP-STQMWFEESA-N 0 3 324.896 3.438 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C23CCC(CC2)C3)C12CCC2 ZINC001078659341 687698831 /nfs/dbraw/zinc/69/88/31/687698831.db2.gz XZOKBDPIHXCRNY-DGNOSDGRSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(CC)o2)C12CCC2 ZINC001078661434 687699638 /nfs/dbraw/zinc/69/96/38/687699638.db2.gz UFIICOSSPXOVRW-GJZGRUSLSA-N 0 3 322.836 3.225 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001079702452 687875687 /nfs/dbraw/zinc/87/56/87/687875687.db2.gz IZYFHCORYWSKNE-DDBAPUKQSA-N 0 3 312.457 3.049 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001079758508 687886887 /nfs/dbraw/zinc/88/68/87/687886887.db2.gz KIEYFDHAFVIKEX-CZUORRHYSA-N 0 3 312.413 3.367 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2CCCCC3)C1 ZINC001079913185 687903260 /nfs/dbraw/zinc/90/32/60/687903260.db2.gz XHALFBPYRWPFBQ-DNVCBOLYSA-N 0 3 312.457 3.192 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001079994660 687910887 /nfs/dbraw/zinc/91/08/87/687910887.db2.gz KOMRMLFIYFSGQC-IAQYHMDHSA-N 0 3 324.827 3.414 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001080586483 687997351 /nfs/dbraw/zinc/99/73/51/687997351.db2.gz KNQMVXGQMBMVTM-DTZQCDIJSA-N 0 3 318.486 3.173 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001080737137 688010211 /nfs/dbraw/zinc/01/02/11/688010211.db2.gz GBGIENYTGNMVNK-DNVCBOLYSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001080917004 688027963 /nfs/dbraw/zinc/02/79/63/688027963.db2.gz TURRVYRXSUEEBZ-RDTXWAMCSA-N 0 3 317.477 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001080971580 688031039 /nfs/dbraw/zinc/03/10/39/688031039.db2.gz WLBBTMSSSQJACT-PBFPGSCMSA-N 0 3 322.399 3.081 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001080985681 688031913 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C=CCCCC(=O)NC[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001662319861 1196707348 /nfs/dbraw/zinc/70/73/48/1196707348.db2.gz NXIPSOTVANORDV-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C#CCN1CCC(C(=O)NCC2CC(C)(C)CC(C)(C)C2)CC1 ZINC001585755418 1192279366 /nfs/dbraw/zinc/27/93/66/1192279366.db2.gz CQVHPJKEIQWLLP-UHFFFAOYSA-N 0 3 318.505 3.300 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558956 1192450028 /nfs/dbraw/zinc/45/00/28/1192450028.db2.gz FVMFRMZDHPAMEU-NFAWXSAZSA-N 0 3 312.421 3.047 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558956 1192450031 /nfs/dbraw/zinc/45/00/31/1192450031.db2.gz FVMFRMZDHPAMEU-NFAWXSAZSA-N 0 3 312.421 3.047 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588560133 1192450364 /nfs/dbraw/zinc/45/03/64/1192450364.db2.gz NPEZGGIPVFPHEI-WBVHZDCISA-N 0 3 311.433 3.134 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588560133 1192450366 /nfs/dbraw/zinc/45/03/66/1192450366.db2.gz NPEZGGIPVFPHEI-WBVHZDCISA-N 0 3 311.433 3.134 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001699639983 1176058783 /nfs/dbraw/zinc/05/87/83/1176058783.db2.gz VQRPMSNSJAGUIE-VXGBXAGGSA-N 0 3 306.372 3.120 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001691975923 1176079231 /nfs/dbraw/zinc/07/92/31/1176079231.db2.gz LSULCJKAXFVSSS-ZIAGYGMSSA-N 0 3 320.399 3.321 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001670636673 1176198578 /nfs/dbraw/zinc/19/85/78/1176198578.db2.gz YOAVNIWFWQMZBP-INIZCTEOSA-N 0 3 305.466 3.108 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001670678021 1176213546 /nfs/dbraw/zinc/21/35/46/1176213546.db2.gz YKJKLTRVBLSGBB-SFHVURJKSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)CCc1ccccc1F ZINC001670686325 1176217377 /nfs/dbraw/zinc/21/73/77/1176217377.db2.gz FBIYRNVFBITSPU-NVXWUHKLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001670706908 1176225978 /nfs/dbraw/zinc/22/59/78/1176225978.db2.gz GPMYIBRNDCFZKN-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccccc1OCC ZINC001670719389 1176232474 /nfs/dbraw/zinc/23/24/74/1176232474.db2.gz PYFDEMWLJZSGIM-CVEARBPZSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)c(C)c1 ZINC001691066749 1176290018 /nfs/dbraw/zinc/29/00/18/1176290018.db2.gz UNCJZWCWIWFHOS-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1cc(C)sc1C ZINC001691069506 1176292741 /nfs/dbraw/zinc/29/27/41/1176292741.db2.gz KEIODWACBAKEON-INIZCTEOSA-N 0 3 306.475 3.412 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001691089513 1176303345 /nfs/dbraw/zinc/30/33/45/1176303345.db2.gz ODYQDWLTPCXDBA-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001691100222 1176311181 /nfs/dbraw/zinc/31/11/81/1176311181.db2.gz PKBLMJBFWVMFRR-NSHGMRRFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001691108172 1176316135 /nfs/dbraw/zinc/31/61/35/1176316135.db2.gz CDHKMKLDGHEBQB-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](CC)CC(F)(F)F ZINC001691106132 1176316757 /nfs/dbraw/zinc/31/67/57/1176316757.db2.gz RDASAHWPCJQJDP-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2C[C@@H](NCC(=C)Cl)C2)CCCCC1 ZINC001691128869 1176329656 /nfs/dbraw/zinc/32/96/56/1176329656.db2.gz XHRQTKBFYNXOLQ-IYBDPMFKSA-N 0 3 322.880 3.197 20 30 DGEDHN C#CCCCC(=O)NCCN(Cc1cc(C)cc(C)c1)C1CC1 ZINC001691207565 1176384609 /nfs/dbraw/zinc/38/46/09/1176384609.db2.gz VQEQDOFQQKKSFQ-UHFFFAOYSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN(CCNC(=O)Cc1coc2ccc(C)cc12)C1CC1 ZINC001691211478 1176392149 /nfs/dbraw/zinc/39/21/49/1176392149.db2.gz SSAZVSJPMUEYIF-UHFFFAOYSA-N 0 3 312.413 3.050 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)/C=C\c1ccco1)c1ccccc1 ZINC001691773008 1176437050 /nfs/dbraw/zinc/43/70/50/1176437050.db2.gz UPSOVAPRISDOEY-LENZSSGSSA-N 0 3 310.397 3.316 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@H]1CN(C)Cc1ccccc1 ZINC001691784396 1176438254 /nfs/dbraw/zinc/43/82/54/1176438254.db2.gz AHYUIOOYMLWQMB-IBGZPJMESA-N 0 3 312.457 3.159 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001691395284 1176462983 /nfs/dbraw/zinc/46/29/83/1176462983.db2.gz IDEIRISSJVXTRA-HOTGVXAUSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001691402379 1176468461 /nfs/dbraw/zinc/46/84/61/1176468461.db2.gz KBTFKJADYBCUIA-CQSZACIVSA-N 0 3 322.474 3.178 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001691406480 1176472363 /nfs/dbraw/zinc/47/23/63/1176472363.db2.gz OBQBDVAATJNRPC-ZFWWWQNUSA-N 0 3 319.449 3.046 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(C[C@@H](F)CC)CC(C)(C)C1 ZINC001750947293 1176576240 /nfs/dbraw/zinc/57/62/40/1176576240.db2.gz UOCHWOIXKPENSN-HOTGVXAUSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(Cc3ccccc3)CC2)[C@H]1CC ZINC001691482528 1176644705 /nfs/dbraw/zinc/64/47/05/1176644705.db2.gz KQWNOAUJFXLXAV-ZWKOTPCHSA-N 0 3 312.457 3.164 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC001752141890 1176680409 /nfs/dbraw/zinc/68/04/09/1176680409.db2.gz OZBZAGQHNCVDSP-MITIMNCUSA-N 0 3 310.869 3.454 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001755041869 1176727661 /nfs/dbraw/zinc/72/76/61/1176727661.db2.gz ZAJRCEMGTJMLBD-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H](C)c1ccncc1 ZINC001752822015 1177204051 /nfs/dbraw/zinc/20/40/51/1177204051.db2.gz XJCFEFWYFSYSTO-WMZOPIPTSA-N 0 3 315.461 3.122 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(N[C@H](C)c3ccc(F)cc3)CC2)C1 ZINC001670850413 1177229059 /nfs/dbraw/zinc/22/90/59/1177229059.db2.gz IMRNABLEGAYWKQ-CQSZACIVSA-N 0 3 316.420 3.481 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001670850510 1177230508 /nfs/dbraw/zinc/23/05/08/1177230508.db2.gz LFKPZERARUKOAQ-SFHVURJKSA-N 0 3 315.461 3.039 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1coc(C2CCC2)n1)C(C)C ZINC001755817309 1177246493 /nfs/dbraw/zinc/24/64/93/1177246493.db2.gz IZCDLAAABOPCDH-UHFFFAOYSA-N 0 3 319.449 3.301 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001691674278 1177670824 /nfs/dbraw/zinc/67/08/24/1177670824.db2.gz BOAPPGMAQXHJNB-UONOGXRCSA-N 0 3 322.399 3.466 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1ccccc1F ZINC001182442775 1177819223 /nfs/dbraw/zinc/81/92/23/1177819223.db2.gz SAXYYCMVAHQMLK-HUUCEWRRSA-N 0 3 316.420 3.127 20 30 DGEDHN CCCC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001691699286 1177840664 /nfs/dbraw/zinc/84/06/64/1177840664.db2.gz SBUXHNZGTXFANI-UHFFFAOYSA-N 0 3 300.446 3.055 20 30 DGEDHN CCCC(=O)NCCCN(Cc1ccc(C#N)s1)C(C)C ZINC001691699400 1177842531 /nfs/dbraw/zinc/84/25/31/1177842531.db2.gz XLDWQXAQUNXCLJ-UHFFFAOYSA-N 0 3 307.463 3.137 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001274622974 1177918993 /nfs/dbraw/zinc/91/89/93/1177918993.db2.gz HZWPDNSUGIUOTG-SJLPKXTDSA-N 0 3 315.461 3.215 20 30 DGEDHN N#Cc1cc(NC(=O)c2cccc3c2CCNC3)ccc1C1CC1 ZINC001330970897 1178102771 /nfs/dbraw/zinc/10/27/71/1178102771.db2.gz OTMPVXFAVTYYGH-UHFFFAOYSA-N 0 3 317.392 3.334 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001330992144 1178107970 /nfs/dbraw/zinc/10/79/70/1178107970.db2.gz VCXFYGJXDVIVOT-NEPJUHHUSA-N 0 3 317.286 3.219 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001331291644 1178177142 /nfs/dbraw/zinc/17/71/42/1178177142.db2.gz ZUGBMTBNKQYRQT-CYBMUJFWSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)[C@H]1C ZINC001331919278 1178307449 /nfs/dbraw/zinc/30/74/49/1178307449.db2.gz PHXGENPYBURYOZ-CXAGYDPISA-N 0 3 322.399 3.400 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001331990581 1178329349 /nfs/dbraw/zinc/32/93/49/1178329349.db2.gz KFQIOOVYYJVBIC-HIFRSBDPSA-N 0 3 322.399 3.400 20 30 DGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001332089830 1178356276 /nfs/dbraw/zinc/35/62/76/1178356276.db2.gz KVIFTBVEUALPJS-HIFRSBDPSA-N 0 3 318.383 3.408 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001332239299 1178402048 /nfs/dbraw/zinc/40/20/48/1178402048.db2.gz GXAKQZGJXZZZMN-KGLIPLIRSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@@H]1CC[C@H](C)O1)C(C)C ZINC001332707228 1178477997 /nfs/dbraw/zinc/47/79/97/1178477997.db2.gz KGJJSVUYENDBEW-IRXDYDNUSA-N 0 3 310.482 3.079 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC001332734990 1178486221 /nfs/dbraw/zinc/48/62/21/1178486221.db2.gz HNLYUKLERFJKBP-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC001332928812 1178523763 /nfs/dbraw/zinc/52/37/63/1178523763.db2.gz NDAUCXDVRNDNQG-YGRLFVJLSA-N 0 3 311.788 3.068 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)c2cccs2)CC1 ZINC001332997177 1178536624 /nfs/dbraw/zinc/53/66/24/1178536624.db2.gz IAIAGDNIRSOJNL-GJZGRUSLSA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001333004425 1178537500 /nfs/dbraw/zinc/53/75/00/1178537500.db2.gz JZGUVEXNXJSEIL-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN O[C@@]1(CNCC#Cc2ccccc2)CCC[C@@H](C(F)(F)F)C1 ZINC001333716669 1178658811 /nfs/dbraw/zinc/65/88/11/1178658811.db2.gz FVAXJIUPFCVOSO-CVEARBPZSA-N 0 3 311.347 3.111 20 30 DGEDHN N#Cc1ccc(CNCCOc2ccc3c(c2)CCC3)c(F)c1 ZINC001334420718 1178761438 /nfs/dbraw/zinc/76/14/38/1178761438.db2.gz RRHHNFVKIIAFRM-UHFFFAOYSA-N 0 3 310.372 3.355 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1ccccc1OC ZINC001341539251 1179024794 /nfs/dbraw/zinc/02/47/94/1179024794.db2.gz NVNNGJYZSMSCDE-SJORKVTESA-N 0 3 316.445 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC001341578654 1179032140 /nfs/dbraw/zinc/03/21/40/1179032140.db2.gz DVWODEAKLYGIIT-RRQGHBQHSA-N 0 3 304.409 3.419 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC001341584316 1179033635 /nfs/dbraw/zinc/03/36/35/1179033635.db2.gz DSRYVMCODNMSPZ-MRXNPFEDSA-N 0 3 320.481 3.194 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCCCCCC1 ZINC001342026396 1179094306 /nfs/dbraw/zinc/09/43/06/1179094306.db2.gz LVHMOIMOYGLTHH-INIZCTEOSA-N 0 3 317.481 3.044 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1-c1nccs1 ZINC001342156450 1179110412 /nfs/dbraw/zinc/11/04/12/1179110412.db2.gz HWAMDKNRFJUDQV-CYBMUJFWSA-N 0 3 314.414 3.160 20 30 DGEDHN COc1ccc(Cl)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001342559809 1179153911 /nfs/dbraw/zinc/15/39/11/1179153911.db2.gz WRHHVNPAEFLNRT-NSHDSACASA-N 0 3 304.708 3.373 20 30 DGEDHN N#CC(C(=O)[C@H]1CC=CCC1)c1nccn1Cc1ccccc1 ZINC001342603453 1179159324 /nfs/dbraw/zinc/15/93/24/1179159324.db2.gz KMZUMSAFNGHNOZ-DLBZAZTESA-N 0 3 305.381 3.464 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC001342675333 1179172520 /nfs/dbraw/zinc/17/25/20/1179172520.db2.gz SOKZOXXZLTXLAD-HNNXBMFYSA-N 0 3 306.837 3.128 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC001343263669 1179249005 /nfs/dbraw/zinc/24/90/05/1179249005.db2.gz ZIJKAFUYHOJGOJ-OAHLLOKOSA-N 0 3 300.406 3.239 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001343402634 1179267153 /nfs/dbraw/zinc/26/71/53/1179267153.db2.gz AROZHXDIHYCYMH-OCCSQVGLSA-N 0 3 313.426 3.345 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(n2ccnc2)CC1 ZINC001343409797 1179268989 /nfs/dbraw/zinc/26/89/89/1179268989.db2.gz SGOOBNBLRLEVQU-KRWDZBQOSA-N 0 3 320.481 3.125 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](CCOC)c2ccccc21 ZINC001343681838 1179315555 /nfs/dbraw/zinc/31/55/55/1179315555.db2.gz SKSLPMYHVQWTGA-NVXWUHKLSA-N 0 3 316.445 3.227 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC001343850434 1179339740 /nfs/dbraw/zinc/33/97/40/1179339740.db2.gz DEXYOROJQFRLTM-HNNXBMFYSA-N 0 3 323.396 3.286 20 30 DGEDHN N#CC(C(=O)Cc1cccc2ccccc21)C(=O)NC1CCCC1 ZINC001343983573 1179360550 /nfs/dbraw/zinc/36/05/50/1179360550.db2.gz XHYCEYJNETYABD-GOSISDBHSA-N 0 3 320.392 3.150 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(F)c(F)c1 ZINC001344325658 1179414021 /nfs/dbraw/zinc/41/40/21/1179414021.db2.gz AYCSYAMGQDLUJF-ZDUSSCGKSA-N 0 3 317.339 3.380 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001344865124 1179488269 /nfs/dbraw/zinc/48/82/69/1179488269.db2.gz ZVGLFKDCSPWNFI-CYBMUJFWSA-N 0 3 311.389 3.164 20 30 DGEDHN CCC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC001345604565 1179577580 /nfs/dbraw/zinc/57/75/80/1179577580.db2.gz BUYUGLCACQBUTQ-KRWDZBQOSA-N 0 3 322.412 3.413 20 30 DGEDHN COCCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001347993035 1179825091 /nfs/dbraw/zinc/82/50/91/1179825091.db2.gz LCBUCUIYEGJELF-LBPRGKRZSA-N 0 3 308.328 3.133 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1ccccc1 ZINC001349701618 1179935896 /nfs/dbraw/zinc/93/58/96/1179935896.db2.gz HKZQCWHDVUNPFF-CYBMUJFWSA-N 0 3 301.777 3.273 20 30 DGEDHN C=CCC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602833075 1192999131 /nfs/dbraw/zinc/99/91/31/1192999131.db2.gz CMTUYIAJEYRTKE-CQSZACIVSA-N 0 3 317.824 3.451 20 30 DGEDHN C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602833075 1192999134 /nfs/dbraw/zinc/99/91/34/1192999134.db2.gz CMTUYIAJEYRTKE-CQSZACIVSA-N 0 3 317.824 3.451 20 30 DGEDHN C=CCC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602833075 1192999138 /nfs/dbraw/zinc/99/91/38/1192999138.db2.gz CMTUYIAJEYRTKE-CQSZACIVSA-N 0 3 317.824 3.451 20 30 DGEDHN C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602833075 1192999141 /nfs/dbraw/zinc/99/91/41/1192999141.db2.gz CMTUYIAJEYRTKE-CQSZACIVSA-N 0 3 317.824 3.451 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602825465 1192998921 /nfs/dbraw/zinc/99/89/21/1192998921.db2.gz XOOAIFLLGMGCNQ-BBRMVZONSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602825465 1192998923 /nfs/dbraw/zinc/99/89/23/1192998923.db2.gz XOOAIFLLGMGCNQ-BBRMVZONSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CCCCC[NH+]1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602837999 1192999692 /nfs/dbraw/zinc/99/96/92/1192999692.db2.gz LJWLCNUMRGGRTE-UHFFFAOYSA-N 0 3 311.433 3.402 20 30 DGEDHN C=CCCCC[NH+]1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602837999 1192999694 /nfs/dbraw/zinc/99/96/94/1192999694.db2.gz LJWLCNUMRGGRTE-UHFFFAOYSA-N 0 3 311.433 3.402 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001350354517 1180058201 /nfs/dbraw/zinc/05/82/01/1180058201.db2.gz RGPMDKWAEIUDTB-KFNAQCHYSA-N 0 3 322.355 3.377 20 30 DGEDHN Cc1ccsc1[C@@H](Cc1ccccc1)NC[C@H](O)CC#N ZINC001351290569 1180195189 /nfs/dbraw/zinc/19/51/89/1180195189.db2.gz XOBJYOONBGEZGD-HZPDHXFCSA-N 0 3 300.427 3.205 20 30 DGEDHN C#C[C@@H](CC)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001621319174 1193023466 /nfs/dbraw/zinc/02/34/66/1193023466.db2.gz YNOXLAQUVPZCKN-INIZCTEOSA-N 0 3 302.418 3.213 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC001353644276 1180614047 /nfs/dbraw/zinc/61/40/47/1180614047.db2.gz BCWBCGYQXZBCLA-IRXDYDNUSA-N 0 3 301.434 3.209 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2cccc(Cl)n2)C1 ZINC001100370920 1180623863 /nfs/dbraw/zinc/62/38/63/1180623863.db2.gz HGCRBXCGZQZNTA-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2cc(F)ccc2F)C1 ZINC001100370900 1180624008 /nfs/dbraw/zinc/62/40/08/1180624008.db2.gz GMJXPHMTPDMQIZ-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100583403 1180818823 /nfs/dbraw/zinc/81/88/23/1180818823.db2.gz SDQQUMHGUBOFPJ-BOPFTXTBSA-N 0 3 322.452 3.045 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2ccc(F)cc2F)C1 ZINC001100623245 1180859953 /nfs/dbraw/zinc/85/99/53/1180859953.db2.gz FSSKYOMDRROVJF-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CCCc2ccccc2)C1 ZINC001100625378 1180861560 /nfs/dbraw/zinc/86/15/60/1180861560.db2.gz CSPWWYFJMOOLCD-UHFFFAOYSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100644907 1180885983 /nfs/dbraw/zinc/88/59/83/1180885983.db2.gz MDWBTNSUQYQELR-GZNCHQMQSA-N 0 3 324.468 3.125 20 30 DGEDHN CC[C@H](C)C[C@@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001355379960 1181047499 /nfs/dbraw/zinc/04/74/99/1181047499.db2.gz RYQSMFPYMVVBOS-KBXCAEBGSA-N 0 3 313.445 3.028 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001357273285 1181377573 /nfs/dbraw/zinc/37/75/73/1181377573.db2.gz IFYHLPGBLBXADQ-AVGNSLFASA-N 0 3 306.372 3.155 20 30 DGEDHN COc1cc(Cl)ccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001357581243 1181410524 /nfs/dbraw/zinc/41/05/24/1181410524.db2.gz YHLVDDKAPTVDRJ-NSHDSACASA-N 0 3 304.708 3.373 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001357667868 1181416981 /nfs/dbraw/zinc/41/69/81/1181416981.db2.gz IRVDPRKAZKWZHO-ZWKOTPCHSA-N 0 3 317.477 3.475 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC001480733945 1181689452 /nfs/dbraw/zinc/68/94/52/1181689452.db2.gz WPRDJZJELPDETF-SFHVURJKSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001480734862 1181690973 /nfs/dbraw/zinc/69/09/73/1181690973.db2.gz NSAYCTYHEOTAJS-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=CCCC(=O)NC[C@@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001569712111 1181704928 /nfs/dbraw/zinc/70/49/28/1181704928.db2.gz PHBLYPKGSHBUMF-CQSZACIVSA-N 0 3 306.372 3.123 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)Cc1ccccc1 ZINC001448880410 1182216410 /nfs/dbraw/zinc/21/64/10/1182216410.db2.gz CLKMMDUCKXNVIF-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001454407765 1182341825 /nfs/dbraw/zinc/34/18/25/1182341825.db2.gz RMXDCBDPEFTLFW-FUHWJXTLSA-N 0 3 300.446 3.370 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001455419650 1182369396 /nfs/dbraw/zinc/36/93/96/1182369396.db2.gz REKHKLPDPHTILV-IRXDYDNUSA-N 0 3 310.482 3.059 20 30 DGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC001460362691 1182683695 /nfs/dbraw/zinc/68/36/95/1182683695.db2.gz NUCDMXLHAPGDCL-LSDHHAIUSA-N 0 3 304.409 3.119 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1F ZINC001461252727 1182785761 /nfs/dbraw/zinc/78/57/61/1182785761.db2.gz CPVNNXBNDBXEDW-ZWKOTPCHSA-N 0 3 316.351 3.438 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(CC(C)C)cc1 ZINC001467724238 1183284431 /nfs/dbraw/zinc/28/44/31/1183284431.db2.gz ADIHKWRSFHEUHK-UHFFFAOYSA-N 0 3 316.489 3.394 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(Cl)ccc1NCC ZINC001467727250 1183284820 /nfs/dbraw/zinc/28/48/20/1183284820.db2.gz BSVVUTJNDVXELN-UHFFFAOYSA-N 0 3 323.868 3.352 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC001468276580 1183322794 /nfs/dbraw/zinc/32/27/94/1183322794.db2.gz OFPUIRBCFYUQOQ-FUHWJXTLSA-N 0 3 313.445 3.184 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1cnccc1NC(CC)CC)OCC ZINC001468498104 1183338785 /nfs/dbraw/zinc/33/87/85/1183338785.db2.gz KDKLQBCSZFTERS-QGZVFWFLSA-N 0 3 319.449 3.414 20 30 DGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001473546927 1183772138 /nfs/dbraw/zinc/77/21/38/1183772138.db2.gz CRTRFOQUJKMTNK-GOSISDBHSA-N 0 3 319.452 3.307 20 30 DGEDHN C#CCCCCCCN1CCN(c2cc(Cl)ccn2)CC1 ZINC001473811688 1183806179 /nfs/dbraw/zinc/80/61/79/1183806179.db2.gz WYEIXYYJHZHWTK-UHFFFAOYSA-N 0 3 305.853 3.441 20 30 DGEDHN C[C@@H](COc1ccc(F)cc1)NCc1ccc(C#N)cc1F ZINC001473992467 1183845995 /nfs/dbraw/zinc/84/59/95/1183845995.db2.gz BMZPJRKSIDYMRR-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN C=CCSCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC001474107462 1183869242 /nfs/dbraw/zinc/86/92/42/1183869242.db2.gz BUBQRUNWNPBGTJ-UHFFFAOYSA-N 0 3 317.357 3.026 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCCC2 ZINC001474191602 1183880748 /nfs/dbraw/zinc/88/07/48/1183880748.db2.gz XARRHJYFABNNRC-IKGGRYGDSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCN(C)Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001474460632 1183925831 /nfs/dbraw/zinc/92/58/31/1183925831.db2.gz FPIYOKSGRLROFH-UHFFFAOYSA-N 0 3 306.207 3.457 20 30 DGEDHN CC(C)(C)OC(=O)C1CC(NCc2ccc(C#N)c(Cl)c2)C1 ZINC001474470927 1183926850 /nfs/dbraw/zinc/92/68/50/1183926850.db2.gz QWDXKPYZKUNMSF-UHFFFAOYSA-N 0 3 320.820 3.422 20 30 DGEDHN Cc1csc2nc(C)c(CNCc3ccc(CC#N)cc3)n12 ZINC001474600494 1183947725 /nfs/dbraw/zinc/94/77/25/1183947725.db2.gz OAZUFTPAUNTBBF-UHFFFAOYSA-N 0 3 310.426 3.369 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1ccnn1-c1ccccc1 ZINC001474673978 1183959962 /nfs/dbraw/zinc/95/99/62/1183959962.db2.gz ARGSGMVGYCEYGX-UHFFFAOYSA-N 0 3 316.408 3.418 20 30 DGEDHN C[C@@H](NC[C@@H](C)N(C)C(=O)C#CC(C)(C)C)c1ccccc1F ZINC001496053804 1184087796 /nfs/dbraw/zinc/08/77/96/1184087796.db2.gz JPRNTWCKQZVLRX-HUUCEWRRSA-N 0 3 318.436 3.373 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCCO1 ZINC001479239743 1184213488 /nfs/dbraw/zinc/21/34/88/1184213488.db2.gz WNICFLZCDCRQOI-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001479318929 1184232696 /nfs/dbraw/zinc/23/26/96/1184232696.db2.gz BLBDEXRJZQWJJQ-JKIFEVAISA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001479368827 1184240188 /nfs/dbraw/zinc/24/01/88/1184240188.db2.gz PGHBHCPHGMBELN-SAZUREKKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001479460566 1184255407 /nfs/dbraw/zinc/25/54/07/1184255407.db2.gz OEEYNUVGCDGPHX-MELADBBJSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC001479655487 1184285075 /nfs/dbraw/zinc/28/50/75/1184285075.db2.gz WXWBMAVALRUPDZ-QGZVFWFLSA-N 0 3 324.509 3.064 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1C ZINC001479709606 1184297618 /nfs/dbraw/zinc/29/76/18/1184297618.db2.gz XTPIBWJPDSEVSW-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCC3CCCCCC3)C2)C1 ZINC001479758313 1184314598 /nfs/dbraw/zinc/31/45/98/1184314598.db2.gz BZBOYCRBRMLIRM-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001479911507 1184379911 /nfs/dbraw/zinc/37/99/11/1184379911.db2.gz LIMYWRIZAJIFFA-QZTJIDSGSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001479915323 1184381669 /nfs/dbraw/zinc/38/16/69/1184381669.db2.gz QXGRQVDDBYSVJJ-SFHVURJKSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001479987688 1184404778 /nfs/dbraw/zinc/40/47/78/1184404778.db2.gz DDCODBIEBQKMEH-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]2OC)CC1 ZINC001479993535 1184405916 /nfs/dbraw/zinc/40/59/16/1184405916.db2.gz SDRQOBADUUWMLW-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001480077542 1184427211 /nfs/dbraw/zinc/42/72/11/1184427211.db2.gz MNCZCUSMDZGWEH-AWEZNQCLSA-N 0 3 320.399 3.466 20 30 DGEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1F ZINC001480177330 1184452996 /nfs/dbraw/zinc/45/29/96/1184452996.db2.gz KZBSCWDYRRYDFG-ALOPSCKCSA-N 0 3 316.420 3.404 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001480205217 1184459405 /nfs/dbraw/zinc/45/94/05/1184459405.db2.gz HBCISWSYOOUFNC-BGYRXZFFSA-N 0 3 322.452 3.043 20 30 DGEDHN C=CCCCCCN1CCCC[C@@H]1CNC(=O)c1ccns1 ZINC001480316771 1184489888 /nfs/dbraw/zinc/48/98/88/1184489888.db2.gz QLGBIQXRSGRDSR-OAHLLOKOSA-N 0 3 321.490 3.474 20 30 DGEDHN CC(C)CCCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001480540934 1184544621 /nfs/dbraw/zinc/54/46/21/1184544621.db2.gz YRHZGXZYHFOEHU-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C[C@H](CCNC(=O)CCC1CCC1)NCc1ccccc1C#N ZINC001480757806 1184600120 /nfs/dbraw/zinc/60/01/20/1184600120.db2.gz JZOOHDULOLPSPN-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](C)NCc1cccc(F)c1F ZINC001480784576 1184607003 /nfs/dbraw/zinc/60/70/03/1184607003.db2.gz ZUSDIGYNXQTUJJ-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)cc1 ZINC001493087878 1184645738 /nfs/dbraw/zinc/64/57/38/1184645738.db2.gz RUUYKQDIUBMCIR-MAUKXSAKSA-N 0 3 313.445 3.050 20 30 DGEDHN CCCc1ccc(CN2CCC[C@H]2CNC(=O)C#CC2CC2)cc1 ZINC001493094874 1184648319 /nfs/dbraw/zinc/64/83/19/1184648319.db2.gz AMFZQMLOZCDMMV-FQEVSTJZSA-N 0 3 324.468 3.133 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001493123732 1184653257 /nfs/dbraw/zinc/65/32/57/1184653257.db2.gz LWCKBXDISYYKJP-IBGZPJMESA-N 0 3 324.468 3.021 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(Cl)c(C)c1)C1CC1 ZINC001493408403 1184702346 /nfs/dbraw/zinc/70/23/46/1184702346.db2.gz ZPJDTPOLGIMMJW-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1C=CC=CC=C1)c1ccccc1 ZINC001493889647 1184759740 /nfs/dbraw/zinc/75/97/40/1184759740.db2.gz UURMSLSLGVREFD-LJQANCHMSA-N 0 3 308.425 3.308 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(F)CCCCC1)c1ccccc1 ZINC001493900792 1184762127 /nfs/dbraw/zinc/76/21/27/1184762127.db2.gz KQFQLVBOTYDLQD-INIZCTEOSA-N 0 3 304.409 3.292 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)ccc1F)c1ccccc1 ZINC001493899678 1184762367 /nfs/dbraw/zinc/76/23/67/1184762367.db2.gz QQLBUCGZWKCGOQ-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001493962894 1184778726 /nfs/dbraw/zinc/77/87/26/1184778726.db2.gz DRYZPFUEEYWELR-KGLIPLIRSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H](CN(C)C/C=C/Cl)C2)CC1 ZINC001494160302 1184820920 /nfs/dbraw/zinc/82/09/20/1184820920.db2.gz OQCMVRMFUUBTIV-RUGXIKGKSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H](CN(C)C/C=C\Cl)C2)CC1 ZINC001494160305 1184820950 /nfs/dbraw/zinc/82/09/50/1184820950.db2.gz OQCMVRMFUUBTIV-YHTRPRNISA-N 0 3 310.869 3.266 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@@H](CN(C)CCF)C1)c1ccccc1 ZINC001494178182 1184824072 /nfs/dbraw/zinc/82/40/72/1184824072.db2.gz GYWCSRXYNQRJSL-FUHWJXTLSA-N 0 3 318.436 3.096 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001494322842 1184853816 /nfs/dbraw/zinc/85/38/16/1184853816.db2.gz QTDTUDCHAKEGDT-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001494555380 1184884531 /nfs/dbraw/zinc/88/45/31/1184884531.db2.gz JYUSSLWUHBWXLJ-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc21 ZINC001494666428 1184902311 /nfs/dbraw/zinc/90/23/11/1184902311.db2.gz HRTBLZSPDPZXPD-CMKODMSKSA-N 0 3 324.468 3.358 20 30 DGEDHN C=C[C@@H](C(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001494926762 1184964271 /nfs/dbraw/zinc/96/42/71/1184964271.db2.gz YLAVJOXHSCCNDU-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001494948307 1184968892 /nfs/dbraw/zinc/96/88/92/1184968892.db2.gz BUKDSBKXTNGJEH-IEBWSBKVSA-N 0 3 314.473 3.349 20 30 DGEDHN CCC(=CC(=O)NC[C@H](CC)NCC#Cc1ccccc1)CC ZINC001494969207 1184972226 /nfs/dbraw/zinc/97/22/26/1184972226.db2.gz NIUCQOQXFDQVKO-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1cccc(Cl)n1 ZINC001494985532 1184975741 /nfs/dbraw/zinc/97/57/41/1184975741.db2.gz AQIOXBJPAYMVEA-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN CC[C@@H](CNC(=O)C12CCC(CC1)C2)NCC#Cc1ccccc1 ZINC001495006922 1184978802 /nfs/dbraw/zinc/97/88/02/1184978802.db2.gz ZIPCJPGOYSOPRB-SCCNAQOGSA-N 0 3 324.468 3.103 20 30 DGEDHN CC1(C)C[C@H]1C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001495148217 1185004685 /nfs/dbraw/zinc/00/46/85/1185004685.db2.gz TWOCCTVCJOUYGJ-SFHVURJKSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@](C)(CNCc1ccccn1)C1CC1 ZINC001495253718 1185018218 /nfs/dbraw/zinc/01/82/18/1185018218.db2.gz QIMDTCWGTWVDES-LJQANCHMSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cc[nH]c2)CCCC[C@@H]1C ZINC001495318711 1185028238 /nfs/dbraw/zinc/02/82/38/1185028238.db2.gz OBBDTRNNGXAPIS-LRDDRELGSA-N 0 3 309.841 3.036 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(CNCC(=C)Cl)CCCC[C@H]1C ZINC001495321930 1185029763 /nfs/dbraw/zinc/02/97/63/1185029763.db2.gz CUIJGKOPHUAVEA-RHSMWYFYSA-N 0 3 310.869 3.197 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001495339522 1185034497 /nfs/dbraw/zinc/03/44/97/1185034497.db2.gz DYCCSHTVWFCRBG-CVEARBPZSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(C)=C2CCCC2)cc1 ZINC001495486356 1185062598 /nfs/dbraw/zinc/06/25/98/1185062598.db2.gz YYAQJEUSDZPMFN-UHFFFAOYSA-N 0 3 310.441 3.306 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H]2CC[C@H](C)C2)cc1 ZINC001495491592 1185063845 /nfs/dbraw/zinc/06/38/45/1185063845.db2.gz GAHIUADYWAAZGE-QFBILLFUSA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC001495490894 1185063934 /nfs/dbraw/zinc/06/39/34/1185063934.db2.gz WNLXJFHPPLVFIM-MOPGFXCFSA-N 0 3 324.468 3.264 20 30 DGEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)CC(C)(C)C ZINC001496006736 1185125538 /nfs/dbraw/zinc/12/55/38/1185125538.db2.gz XWGIKDNYQICLOC-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001496136953 1185138438 /nfs/dbraw/zinc/13/84/38/1185138438.db2.gz CBYRRSXYOMROTA-SWLSCSKDSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001496136950 1185138601 /nfs/dbraw/zinc/13/86/01/1185138601.db2.gz CBYRRSXYOMROTA-DOMZBBRYSA-N 0 3 323.506 3.299 20 30 DGEDHN CCC(=O)N[C@H](CNCC#Cc1ccc(Cl)cc1)CC(C)C ZINC001496250092 1185154147 /nfs/dbraw/zinc/15/41/47/1185154147.db2.gz RMJWDHGFCXBDBG-KRWDZBQOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC(F)(F)F ZINC001496389617 1185179814 /nfs/dbraw/zinc/17/98/14/1185179814.db2.gz QWVDLKFJUSLRRQ-LLVKDONJSA-N 0 3 312.763 3.052 20 30 DGEDHN CC(C)[C@H](CNC(=O)C[C@@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001496524452 1185207333 /nfs/dbraw/zinc/20/73/33/1185207333.db2.gz VTONKLLAYBXDIC-UXHICEINSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cccc(C)c1)C(C)C ZINC001496600165 1185219144 /nfs/dbraw/zinc/21/91/44/1185219144.db2.gz UPYLVSTYNZROFL-MRXNPFEDSA-N 0 3 308.853 3.020 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001496750185 1185240993 /nfs/dbraw/zinc/24/09/93/1185240993.db2.gz JCDRQICONCGACX-UHFFFAOYSA-N 0 3 306.494 3.252 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(F)cc2ccoc21 ZINC001497220883 1185298073 /nfs/dbraw/zinc/29/80/73/1185298073.db2.gz NZVTYIZWTPMADS-NSHDSACASA-N 0 3 324.783 3.422 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1scnc1C(C)C ZINC001497285567 1185309779 /nfs/dbraw/zinc/30/97/79/1185309779.db2.gz MDEGDTKDZWWTGE-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C(F)F)cc1 ZINC001497291243 1185310666 /nfs/dbraw/zinc/31/06/66/1185310666.db2.gz VEGQEKNZOHYZNG-NSHDSACASA-N 0 3 316.779 3.475 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2c(C)nsc2C)C1 ZINC001497451456 1185335453 /nfs/dbraw/zinc/33/54/53/1185335453.db2.gz NJLAXUXUIBDYPL-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001655024500 1195866446 /nfs/dbraw/zinc/86/64/46/1195866446.db2.gz ICYOASXMCNHFQD-QWRGUYRKSA-N 0 3 308.407 3.060 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)CNCc2cc(C)ccc2F)cc1 ZINC001498082690 1185433527 /nfs/dbraw/zinc/43/35/27/1185433527.db2.gz YJZIOVAPYCXUKV-HNNXBMFYSA-N 0 3 324.399 3.024 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498376090 1185482177 /nfs/dbraw/zinc/48/21/77/1185482177.db2.gz OLONQLIMBADCJE-KXBFYZLASA-N 0 3 313.445 3.097 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001498541994 1185514872 /nfs/dbraw/zinc/51/48/72/1185514872.db2.gz PSEQXYYJZTXUTN-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1nc(C)c(C)s1 ZINC001498553932 1185516143 /nfs/dbraw/zinc/51/61/43/1185516143.db2.gz MLYXFWUMXFBJPM-UHFFFAOYSA-N 0 3 309.479 3.054 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001498815968 1185550667 /nfs/dbraw/zinc/55/06/67/1185550667.db2.gz FOXPBJRQCUTGNZ-TZIWHRDSSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nccs2)[C@@H](CC)C1 ZINC001498893688 1185565567 /nfs/dbraw/zinc/56/55/67/1185565567.db2.gz KJDQCFYYCVJGMN-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001499027700 1185594198 /nfs/dbraw/zinc/59/41/98/1185594198.db2.gz DWIJXGYSVQSZDU-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001499040237 1185595899 /nfs/dbraw/zinc/59/58/99/1185595899.db2.gz ATASFTIVVCAZBR-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001499055538 1185600307 /nfs/dbraw/zinc/60/03/07/1185600307.db2.gz GFOIYPPSGUSHPK-WMZOPIPTSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001499074354 1185605377 /nfs/dbraw/zinc/60/53/77/1185605377.db2.gz RQDBXKZMRDUHAY-OALUTQOASA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001499135505 1185618244 /nfs/dbraw/zinc/61/82/44/1185618244.db2.gz AYRRXHKQCIAOCM-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001499310206 1185635648 /nfs/dbraw/zinc/63/56/48/1185635648.db2.gz HPQQJHBEOZZDDE-UHFFFAOYSA-N 0 3 304.409 3.085 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C(C)(C)CC(C)(C)C)C2)CC1 ZINC001499590068 1185673377 /nfs/dbraw/zinc/67/33/77/1185673377.db2.gz PNFDJBKFPRLJNW-UHFFFAOYSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001499616252 1185678816 /nfs/dbraw/zinc/67/88/16/1185678816.db2.gz MQARUPFWYMYYEA-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C(=O)CCCCC(C)C)C1CCN(CC=C)CC1 ZINC001500052357 1185734677 /nfs/dbraw/zinc/73/46/77/1185734677.db2.gz YMUGBGKUSVWXNK-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)[C@@H](CC)CCC)C1CCN(CC(=C)C)CC1 ZINC001500053977 1185735239 /nfs/dbraw/zinc/73/52/39/1185735239.db2.gz GZIIUQNFFFWKSA-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCNC[C@H](NC(=O)CC(C)C)c1ccc2ccccc2c1 ZINC001500060500 1185736298 /nfs/dbraw/zinc/73/62/98/1185736298.db2.gz RNPGCDIEWXLDGX-IBGZPJMESA-N 0 3 308.425 3.266 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001500264979 1185766966 /nfs/dbraw/zinc/76/69/66/1185766966.db2.gz ONXJWSPKMMKVAH-QUCCMNQESA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCc2ccc(F)cc2)C1 ZINC001500262009 1185767167 /nfs/dbraw/zinc/76/71/67/1185767167.db2.gz ZSHQMPDUSAWZCF-IBGZPJMESA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCCC(=O)N1CC[C@@](C)(CNCc2ccncc2Cl)C1 ZINC001500324103 1185774823 /nfs/dbraw/zinc/77/48/23/1185774823.db2.gz FJNBRFJPBDKRJJ-KRWDZBQOSA-N 0 3 321.852 3.029 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc3cnccc32)C1 ZINC001500551356 1185820099 /nfs/dbraw/zinc/82/00/99/1185820099.db2.gz XRXFMNGPIWWAPW-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)CCCC1 ZINC001501016369 1185856267 /nfs/dbraw/zinc/85/62/67/1185856267.db2.gz WSINWSKNZBJMIJ-JYJNAYRXSA-N 0 3 308.441 3.062 20 30 DGEDHN C=CCN[C@H](CNC(=O)C(C)(C)C=C)c1ccccc1CC ZINC001501022545 1185857141 /nfs/dbraw/zinc/85/71/41/1185857141.db2.gz PGHHKBYATUNNKC-QGZVFWFLSA-N 0 3 300.446 3.394 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1CC ZINC001501021492 1185857818 /nfs/dbraw/zinc/85/78/18/1185857818.db2.gz GWJNNHLTAGOPGH-VUHPKUFZSA-N 0 3 312.457 3.228 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C/C=C\Cc3ccccc3)[C@@H]2C1 ZINC001501419596 1185902329 /nfs/dbraw/zinc/90/23/29/1185902329.db2.gz OUPOHDOUNMZWCB-SLVIYJBESA-N 0 3 324.468 3.284 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001501582053 1185909653 /nfs/dbraw/zinc/90/96/53/1185909653.db2.gz PQJFUHRIVHCTLC-ISXOHVOVSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001501603922 1185911433 /nfs/dbraw/zinc/91/14/33/1185911433.db2.gz HTHIREPVSSBGOS-CVEARBPZSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001501632153 1185915132 /nfs/dbraw/zinc/91/51/32/1185915132.db2.gz LRIWARVQWWCFAX-HIFRSBDPSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](CC)CC(F)F)cc1 ZINC001501676261 1185920105 /nfs/dbraw/zinc/92/01/05/1185920105.db2.gz JIZYSGUUZDWAKO-DZGCQCFKSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)oc2C)cc1 ZINC001501673482 1185920281 /nfs/dbraw/zinc/92/02/81/1185920281.db2.gz PQARYYNCORKCEP-CQSZACIVSA-N 0 3 310.397 3.110 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)C2CCCC2)cc1 ZINC001501682058 1185922122 /nfs/dbraw/zinc/92/21/22/1185922122.db2.gz WVMJEYIQCQFYDT-CVEARBPZSA-N 0 3 312.457 3.413 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001501737226 1185928079 /nfs/dbraw/zinc/92/80/79/1185928079.db2.gz MYAUKIYSOXDQGA-BJMVGYQFSA-N 0 3 322.880 3.432 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)CC(C)(C)C)C2)CC1 ZINC001501748643 1185929057 /nfs/dbraw/zinc/92/90/57/1185929057.db2.gz GEUJQGAEVQKJEX-UHFFFAOYSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)CCC1 ZINC001501994885 1185945126 /nfs/dbraw/zinc/94/51/26/1185945126.db2.gz OUAMNNNTUBRLHZ-RBUKOAKNSA-N 0 3 324.468 3.004 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN(C)[C@@H](C)c1ccccc1F ZINC001502177874 1185968397 /nfs/dbraw/zinc/96/83/97/1185968397.db2.gz HTKHHQCMHSWXMV-INIZCTEOSA-N 0 3 318.436 3.471 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001502394442 1185981012 /nfs/dbraw/zinc/98/10/12/1185981012.db2.gz VGIGUKNIZBXTRO-QGZVFWFLSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)C#CC1CC1 ZINC001503679587 1186051258 /nfs/dbraw/zinc/05/12/58/1186051258.db2.gz ZDVQKWORLOJQNY-HXUWFJFHSA-N 0 3 322.452 3.082 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C1(CC)CC1 ZINC001503689445 1186051551 /nfs/dbraw/zinc/05/15/51/1186051551.db2.gz ANVDDKSHDXXVBO-SFHVURJKSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)CC(F)F ZINC001505414747 1186071248 /nfs/dbraw/zinc/07/12/48/1186071248.db2.gz RYHHEHHFOOKINK-XGWLTEMNSA-N 0 3 322.399 3.226 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)cc1Cl ZINC001505447015 1186082876 /nfs/dbraw/zinc/08/28/76/1186082876.db2.gz XLOMBNCMOCJRQI-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN CC(C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1)=C1CCCC1 ZINC001505585082 1186108210 /nfs/dbraw/zinc/10/82/10/1186108210.db2.gz JOIAKVFBOPQXJS-ROUUACIJSA-N 0 3 324.468 3.411 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1C ZINC001505980755 1186174292 /nfs/dbraw/zinc/17/42/92/1186174292.db2.gz JECKYDWADMAJRQ-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001505993526 1186176264 /nfs/dbraw/zinc/17/62/64/1186176264.db2.gz XUNDMAGWYNWDMY-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC23CCC3)CCCCC1 ZINC001506520625 1186238811 /nfs/dbraw/zinc/23/88/11/1186238811.db2.gz GVQXPCASKUFWKU-AWEZNQCLSA-N 0 3 310.869 3.338 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001506574313 1186254417 /nfs/dbraw/zinc/25/44/17/1186254417.db2.gz FZCKZQJSQBXRQG-CABCVRRESA-N 0 3 306.475 3.398 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001506648872 1186268627 /nfs/dbraw/zinc/26/86/27/1186268627.db2.gz GTDUUADSYDBZFN-WBMJQRKESA-N 0 3 314.420 3.071 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2cccs2)C(C)(C)C1 ZINC001506755175 1186289596 /nfs/dbraw/zinc/28/95/96/1186289596.db2.gz ZMOIRWJZXZDZOG-OAHLLOKOSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CCC(=O)N1CC2(C1)CCCN(CCOCCCC)C2 ZINC001506863247 1186297733 /nfs/dbraw/zinc/29/77/33/1186297733.db2.gz SKJVGDFHTIXRJF-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCCC(C)C)C[C@]2(C)C1 ZINC001506869239 1186301582 /nfs/dbraw/zinc/30/15/82/1186301582.db2.gz SBLTYCSUTZCNSP-KDURUIRLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cscc1C ZINC001506916282 1186311684 /nfs/dbraw/zinc/31/16/84/1186311684.db2.gz GQTXGZPKMHSHPI-GFCCVEGCSA-N 0 3 300.855 3.297 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001506938671 1186318247 /nfs/dbraw/zinc/31/82/47/1186318247.db2.gz VAYLXHXUARAIEL-MGPQQGTHSA-N 0 3 310.825 3.010 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](CNCc1ccccc1F)C1CC1 ZINC001507017779 1186341183 /nfs/dbraw/zinc/34/11/83/1186341183.db2.gz DHGFIXNPPPYKDW-QGZVFWFLSA-N 0 3 318.436 3.365 20 30 DGEDHN C=CCOCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC001507064018 1186353577 /nfs/dbraw/zinc/35/35/77/1186353577.db2.gz UTIMRGDOUZIMHV-KGLIPLIRSA-N 0 3 324.852 3.040 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccccc1F ZINC001507070822 1186354256 /nfs/dbraw/zinc/35/42/56/1186354256.db2.gz MKQGCNGVFNJZHK-HUUCEWRRSA-N 0 3 304.409 3.127 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](CC)CC1CCCCC1 ZINC001507128034 1186368258 /nfs/dbraw/zinc/36/82/58/1186368258.db2.gz AGTDAFFRLNPMQC-FUHWJXTLSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001507157849 1186374639 /nfs/dbraw/zinc/37/46/39/1186374639.db2.gz AEEIRLKUCXRLGJ-YJBOKZPZSA-N 0 3 318.436 3.025 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001507278219 1186379221 /nfs/dbraw/zinc/37/92/21/1186379221.db2.gz MEJRKJKJYXYEKJ-MAUKXSAKSA-N 0 3 324.424 3.315 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001507309114 1186387005 /nfs/dbraw/zinc/38/70/05/1186387005.db2.gz GQNYVEXFSXIJHH-ZFWWWQNUSA-N 0 3 306.475 3.429 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001507317579 1186389082 /nfs/dbraw/zinc/38/90/82/1186389082.db2.gz MBMQNLLEGXKDEV-OLZOCXBDSA-N 0 3 322.811 3.003 20 30 DGEDHN CC/C(C)=C\C(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001507431074 1186428741 /nfs/dbraw/zinc/42/87/41/1186428741.db2.gz KBMFFMYVNFFQOR-FCUDFIOSSA-N 0 3 324.468 3.221 20 30 DGEDHN CN(C)CC#CCNc1nc2c(cccc2Br)s1 ZINC001655748271 1195958874 /nfs/dbraw/zinc/95/88/74/1195958874.db2.gz KAIWDEOHADIWSS-UHFFFAOYSA-N 0 3 324.247 3.036 20 30 DGEDHN C=CCCCn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001507946611 1186461230 /nfs/dbraw/zinc/46/12/30/1186461230.db2.gz SLUPUYIQQVHMDW-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001507991496 1186465239 /nfs/dbraw/zinc/46/52/39/1186465239.db2.gz OIEKMIKGVYHPQT-MRXNPFEDSA-N 0 3 317.477 3.304 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C1CCN(Cc2ccccn2)CC1 ZINC001508065107 1186475819 /nfs/dbraw/zinc/47/58/19/1186475819.db2.gz QPXFBSQQIZDAAE-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(C)=C(C)C)CC[C@@H]1C(F)(F)F ZINC001508084496 1186479145 /nfs/dbraw/zinc/47/91/45/1186479145.db2.gz HYMWTQUZVZJKDM-KBPBESRZSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2ccc(F)cc2F)C1 ZINC001508128040 1186483918 /nfs/dbraw/zinc/48/39/18/1186483918.db2.gz XKLKUOOWUZUAET-UHFFFAOYSA-N 0 3 322.399 3.256 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001514986588 1186740447 /nfs/dbraw/zinc/74/04/47/1186740447.db2.gz KJYXZENXYZIRHJ-FRWLMAKKSA-N 0 3 300.383 3.144 20 30 DGEDHN C[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC001611798148 1193441750 /nfs/dbraw/zinc/44/17/50/1193441750.db2.gz PAUARHZYHIYYAA-STQMWFEESA-N 0 3 302.378 3.141 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(Br)s1 ZINC001517064000 1186800418 /nfs/dbraw/zinc/80/04/18/1186800418.db2.gz FPNPBASJIBOZDQ-MRVPVSSYSA-N 0 3 324.203 3.217 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001520035642 1186911768 /nfs/dbraw/zinc/91/17/68/1186911768.db2.gz FGVMGIWVOMCZMI-BBRMVZONSA-N 0 3 313.376 3.487 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC001521995396 1187059888 /nfs/dbraw/zinc/05/98/88/1187059888.db2.gz VNSUYZWJEVXJSC-CVEARBPZSA-N 0 3 320.408 3.181 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCCC1(F)F)C(=O)Nc1ccccc1 ZINC001524029598 1187210526 /nfs/dbraw/zinc/21/05/26/1187210526.db2.gz QCYTVOCRPHYHBB-WCQYABFASA-N 0 3 306.312 3.159 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]2F)cc1 ZINC001524036938 1187211289 /nfs/dbraw/zinc/21/12/89/1187211289.db2.gz GGKAVYFVPXNWLO-RRFJBIMHSA-N 0 3 302.349 3.035 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(C)C ZINC001525312881 1187306808 /nfs/dbraw/zinc/30/68/08/1187306808.db2.gz VAULHVQXUPYBDP-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN N#CC(C(=O)c1ccnn1C1CCC1)c1cnc2ccccc2n1 ZINC001525468074 1187316593 /nfs/dbraw/zinc/31/65/93/1187316593.db2.gz DXIVSEIXZDZKPK-ZDUSSCGKSA-N 0 3 317.352 3.041 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC001615961893 1193531204 /nfs/dbraw/zinc/53/12/04/1193531204.db2.gz URHKUDJKTSWAAG-VQTJNVASSA-N 0 3 321.424 3.168 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1ccc(C#N)s1 ZINC001566560064 1188486664 /nfs/dbraw/zinc/48/66/64/1188486664.db2.gz DMEKJYBULXNHDX-UHFFFAOYSA-N 0 3 319.474 3.160 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001566683958 1188947479 /nfs/dbraw/zinc/94/74/79/1188947479.db2.gz CYGFNDIEHDFPEM-CYBMUJFWSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001556466214 1189002209 /nfs/dbraw/zinc/00/22/09/1189002209.db2.gz NMMUKTKXHQQRBB-UHFFFAOYSA-N 0 3 311.429 3.262 20 30 DGEDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001559972490 1189265394 /nfs/dbraw/zinc/26/53/94/1189265394.db2.gz PQINGLRNKJBKAD-WOJBJXKFSA-N 0 3 324.399 3.394 20 30 DGEDHN C#CCOCCN1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001560164556 1189286559 /nfs/dbraw/zinc/28/65/59/1189286559.db2.gz BFNJAYUSZBYURW-ZDUSSCGKSA-N 0 3 311.347 3.322 20 30 DGEDHN C=CCC[C@H]1CCCN1[C@@H]1CCN(c2ccccc2OC)C1=O ZINC001560200302 1189289659 /nfs/dbraw/zinc/28/96/59/1189289659.db2.gz SEFBSWGOEKMONO-DOTOQJQBSA-N 0 3 314.429 3.231 20 30 DGEDHN C=CCC[C@@H]1CCCN1[C@H]1CCN(c2ccccc2OC)C1=O ZINC001560200305 1189289855 /nfs/dbraw/zinc/28/98/55/1189289855.db2.gz SEFBSWGOEKMONO-WBVHZDCISA-N 0 3 314.429 3.231 20 30 DGEDHN C=CCCCN(CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001560204737 1189290913 /nfs/dbraw/zinc/29/09/13/1189290913.db2.gz XUZFYANOTNANNT-UHFFFAOYSA-N 0 3 306.362 3.170 20 30 DGEDHN N#Cc1ccc(CCNCc2nc(-c3ccccc3)c[nH]2)cc1 ZINC001560531728 1189336466 /nfs/dbraw/zinc/33/64/66/1189336466.db2.gz LSHSHSPHIUNCEM-UHFFFAOYSA-N 0 3 302.381 3.281 20 30 DGEDHN C=C[C@H](CO)NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001560541506 1189338843 /nfs/dbraw/zinc/33/88/43/1189338843.db2.gz YJPYMPZPBPLROI-MBNRZODZSA-N 0 3 309.409 3.415 20 30 DGEDHN C#Cc1ccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC001563368507 1189509622 /nfs/dbraw/zinc/50/96/22/1189509622.db2.gz SZRFBIUIRRUAHW-MRXNPFEDSA-N 0 3 321.424 3.310 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccccc2)C1 ZINC001565503927 1189654127 /nfs/dbraw/zinc/65/41/27/1189654127.db2.gz JGHYIWCRBSQJRK-RTBURBONSA-N 0 3 310.441 3.027 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1c1ccccc1 ZINC001565883672 1189699637 /nfs/dbraw/zinc/69/96/37/1189699637.db2.gz UZNGDHKVWYEKFR-ZWKOTPCHSA-N 0 3 312.457 3.359 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccccc1 ZINC001566000742 1189713163 /nfs/dbraw/zinc/71/31/63/1189713163.db2.gz KJBGVNHLPFDNIK-RTBURBONSA-N 0 3 312.457 3.174 20 30 DGEDHN CCCCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1CC ZINC001566006504 1189715194 /nfs/dbraw/zinc/71/51/94/1189715194.db2.gz CRBKSROPXYEPFC-ZWKOTPCHSA-N 0 3 313.445 3.218 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccc(F)cc2)[C@H]1CC ZINC001566022654 1189717644 /nfs/dbraw/zinc/71/76/44/1189717644.db2.gz ZHCQTLMTSIXRQU-ZWKOTPCHSA-N 0 3 318.436 3.304 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(CC=C)CCCCC2)[C@H]1C ZINC001566114215 1189736676 /nfs/dbraw/zinc/73/66/76/1189736676.db2.gz APILGXNLOVYNDL-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN CC#CCCCC(=O)N1CCCC[C@H]1CN(C)CC=C(C)C ZINC001566124167 1189740947 /nfs/dbraw/zinc/74/09/47/1189740947.db2.gz IWANKCSIYCEKHX-SFHVURJKSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCCCC(C)C)CC(C)(C)C1 ZINC001566131865 1189745457 /nfs/dbraw/zinc/74/54/57/1189745457.db2.gz RFVSZQOSBKTYMH-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN CC(C)c1ccc([C@H](C)N2CC[C@@H](NC(=O)C#CC3CC3)C2)cc1 ZINC001566663949 1189848341 /nfs/dbraw/zinc/84/83/41/1189848341.db2.gz WYURZZBCYLXGCX-OXJNMPFZSA-N 0 3 324.468 3.475 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC001566674066 1189853507 /nfs/dbraw/zinc/85/35/07/1189853507.db2.gz CGFGFKWCMKOQQM-GFCCVEGCSA-N 0 3 304.415 3.265 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC2(C=C)CCCCC2)CC1 ZINC001566693575 1189861520 /nfs/dbraw/zinc/86/15/20/1189861520.db2.gz VUUDBQALGVGUFM-KRWDZBQOSA-N 0 3 314.473 3.117 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](CC)SC)CC1 ZINC001566697330 1189863657 /nfs/dbraw/zinc/86/36/57/1189863657.db2.gz VLVPDXQYKCKSEQ-MRXNPFEDSA-N 0 3 312.523 3.407 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001566700021 1189864118 /nfs/dbraw/zinc/86/41/18/1189864118.db2.gz WEDZGWSRZCPTDT-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C/C=C(\C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001566818085 1189912752 /nfs/dbraw/zinc/91/27/52/1189912752.db2.gz MVBAOPKYYATJKC-WTZSTDMSSA-N 0 3 323.440 3.136 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001566975971 1189977833 /nfs/dbraw/zinc/97/78/33/1189977833.db2.gz HAMVIYZMUPZQQK-GDYQCOEMSA-N 0 3 324.468 3.349 20 30 DGEDHN C=CC1(CC(=O)NC[C@H](C)NCc2cccnc2)CCCCC1 ZINC001567060510 1190013947 /nfs/dbraw/zinc/01/39/47/1190013947.db2.gz KIKDLEHADLFBNU-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(Cl)c(CCC)c2)C1 ZINC001567106985 1190032038 /nfs/dbraw/zinc/03/20/38/1190032038.db2.gz BEXKXZVAMPQZKJ-INIZCTEOSA-N 0 3 318.848 3.120 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)nc1C(C)C ZINC001567224187 1190079221 /nfs/dbraw/zinc/07/92/21/1190079221.db2.gz RCMQYVDZUGEGTG-ZDUSSCGKSA-N 0 3 323.868 3.364 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001567224349 1190079431 /nfs/dbraw/zinc/07/94/31/1190079431.db2.gz UPSTXEWXXJFEMS-UWWQBHOKSA-N 0 3 320.864 3.201 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@@H]1CCCN1Cc1conc1C ZINC001567254303 1190097145 /nfs/dbraw/zinc/09/71/45/1190097145.db2.gz HIRSVOMTSXGJKM-QGZVFWFLSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1(C)CC=CC1 ZINC001567262005 1190100471 /nfs/dbraw/zinc/10/04/71/1190100471.db2.gz RVWXRVFNWNNMEG-HNNXBMFYSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1oc2c(cccc2F)c1C ZINC001567285659 1190111157 /nfs/dbraw/zinc/11/11/57/1190111157.db2.gz OLAJGJMLDKATBQ-UHFFFAOYSA-N 0 3 304.365 3.118 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001567284897 1190111364 /nfs/dbraw/zinc/11/13/64/1190111364.db2.gz ZNXNBUIHCXPTBV-QGZVFWFLSA-N 0 3 304.409 3.217 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(F)c2ccccc12 ZINC001567305175 1190121811 /nfs/dbraw/zinc/12/18/11/1190121811.db2.gz OVKAUXBXQJRBLX-UHFFFAOYSA-N 0 3 300.377 3.217 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1oc2ccccc2c1CC ZINC001567322049 1190128696 /nfs/dbraw/zinc/12/86/96/1190128696.db2.gz PJBSAGOCIDVKDO-UHFFFAOYSA-N 0 3 300.402 3.233 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](CCC)c1ccccc1 ZINC001567391733 1190168730 /nfs/dbraw/zinc/16/87/30/1190168730.db2.gz VQHUUNXIOQFOKH-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC001567419120 1190181220 /nfs/dbraw/zinc/18/12/20/1190181220.db2.gz IRDCJFFDTPQUME-ADKAHSJRSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(Cl)c(C)c1 ZINC001567430352 1190187998 /nfs/dbraw/zinc/18/79/98/1190187998.db2.gz XDJCOCBVEQQRAJ-UHFFFAOYSA-N 0 3 306.837 3.114 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(Cc1ccc(C)cc1)C1CC1 ZINC001567446842 1190197014 /nfs/dbraw/zinc/19/70/14/1190197014.db2.gz JSFUVFZISXRAHI-UHFFFAOYSA-N 0 3 300.446 3.288 20 30 DGEDHN C#CCCCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001567487739 1190208992 /nfs/dbraw/zinc/20/89/92/1190208992.db2.gz IYCQDXSTMSMQEW-CYBMUJFWSA-N 0 3 324.827 3.392 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cnc(C)s1)C(C)C ZINC001567646856 1190236717 /nfs/dbraw/zinc/23/67/17/1190236717.db2.gz SRBFLPIESXHSIS-UHFFFAOYSA-N 0 3 323.506 3.380 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccoc1CC)c1ccccc1 ZINC001567657211 1190239607 /nfs/dbraw/zinc/23/96/07/1190239607.db2.gz IRSFHTXCZDVVGV-QGZVFWFLSA-N 0 3 312.413 3.479 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1nccc2occc21)c1ccccc1 ZINC001567661399 1190240559 /nfs/dbraw/zinc/24/05/59/1190240559.db2.gz YFDOQOWRICPHJR-MRXNPFEDSA-N 0 3 321.380 3.075 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(C)ccc1F)c1ccccc1 ZINC001567662837 1190241867 /nfs/dbraw/zinc/24/18/67/1190241867.db2.gz COWFWEDIJZZUPO-SFHVURJKSA-N 0 3 312.388 3.381 20 30 DGEDHN CC/C(C)=C\C(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001567727204 1190276549 /nfs/dbraw/zinc/27/65/49/1190276549.db2.gz DFQDZWXMZHGWAJ-PUWPPSGDSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN(CCOCC)C2)CCCCC1 ZINC001567778133 1190296581 /nfs/dbraw/zinc/29/65/81/1190296581.db2.gz RIPJKODLNMSYGQ-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001567831141 1190313990 /nfs/dbraw/zinc/31/39/90/1190313990.db2.gz JJMWNVTVIRXEPS-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001567941627 1190367469 /nfs/dbraw/zinc/36/74/69/1190367469.db2.gz FBZZASRALXIGSJ-HOTGVXAUSA-N 0 3 304.434 3.190 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)/C=C/c2ccco2)CCCC1 ZINC001567992123 1190391442 /nfs/dbraw/zinc/39/14/42/1190391442.db2.gz NLLXYMUVPNUNOF-VOTSOKGWSA-N 0 3 308.809 3.064 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001568014395 1190398342 /nfs/dbraw/zinc/39/83/42/1190398342.db2.gz BZTISIBAWBFSQF-LIRRHRJNSA-N 0 3 316.445 3.235 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCCC#CC)C1 ZINC001568064878 1190412332 /nfs/dbraw/zinc/41/23/32/1190412332.db2.gz QUSNHRMGHDHHRX-INIZCTEOSA-N 0 3 310.869 3.151 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NCc2ncc(C)s2)CC1 ZINC001568105687 1190422045 /nfs/dbraw/zinc/42/20/45/1190422045.db2.gz VLBUUKROMYZFHV-SHTZXODSSA-N 0 3 321.490 3.325 20 30 DGEDHN CC#CCCCC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001568120282 1190426574 /nfs/dbraw/zinc/42/65/74/1190426574.db2.gz RCTGRHNYOUYZCY-SDQBBNPISA-N 0 3 318.848 3.339 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 ZINC001568122074 1190427739 /nfs/dbraw/zinc/42/77/39/1190427739.db2.gz ZOHSJSJIXHATRJ-UHFFFAOYSA-N 0 3 320.436 3.346 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)CNCc2csc(C)n2)CCC1 ZINC001568191387 1190447978 /nfs/dbraw/zinc/44/79/78/1190447978.db2.gz ZXKGAMZBNYIWEJ-ZDUSSCGKSA-N 0 3 321.490 3.040 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl)CCC1 ZINC001568298325 1190478335 /nfs/dbraw/zinc/47/83/35/1190478335.db2.gz NFTYTBFJAXQQFU-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CCNCc1cc(C)no1 ZINC001568385433 1190508527 /nfs/dbraw/zinc/50/85/27/1190508527.db2.gz FRFWUXXYLACSES-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc2ccccc2[nH]1)C(C)C ZINC001568468595 1190532063 /nfs/dbraw/zinc/53/20/63/1190532063.db2.gz KOSVVLNDJBFZGN-MRXNPFEDSA-N 0 3 319.836 3.264 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001568551685 1190564443 /nfs/dbraw/zinc/56/44/43/1190564443.db2.gz ONLZPXQGMOMSEJ-UHFFFAOYSA-N 0 3 319.836 3.401 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C)nc1C1CC1 ZINC001568662588 1190575194 /nfs/dbraw/zinc/57/51/94/1190575194.db2.gz JZQDPMQHRCRDQH-ZDUSSCGKSA-N 0 3 321.852 3.118 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1nc(C)sc1C ZINC001568683670 1190578103 /nfs/dbraw/zinc/57/81/03/1190578103.db2.gz YLWKWWURRFBSGN-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1coc2ccccc12 ZINC001568693240 1190579441 /nfs/dbraw/zinc/57/94/41/1190579441.db2.gz ROLNNLLXSOCLBW-CYBMUJFWSA-N 0 3 320.820 3.212 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](CC)CC(F)(F)F ZINC001568699664 1190579614 /nfs/dbraw/zinc/57/96/14/1190579614.db2.gz TWAAEYFUTISDFG-WDEREUQCSA-N 0 3 314.779 3.202 20 30 DGEDHN CC[C@@H](C)CC(=O)N(CC)CCNCc1ccc(F)c(C#N)c1 ZINC001568739154 1190583962 /nfs/dbraw/zinc/58/39/62/1190583962.db2.gz OPGQIEFQORDNFX-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CN[C@H](C)c1ccc(F)cc1 ZINC001568902491 1190598313 /nfs/dbraw/zinc/59/83/13/1190598313.db2.gz JLUCXYCPACBEHB-XITLMJRVSA-N 0 3 316.420 3.342 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001569016400 1190609112 /nfs/dbraw/zinc/60/91/12/1190609112.db2.gz YLJDCBAGKXPBHA-DNVCBOLYSA-N 0 3 317.477 3.402 20 30 DGEDHN CCC[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001569049526 1190613385 /nfs/dbraw/zinc/61/33/85/1190613385.db2.gz HHHATNPBJLDSPP-GJZGRUSLSA-N 0 3 320.864 3.222 20 30 DGEDHN CC(C)CCC(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001569180811 1190650414 /nfs/dbraw/zinc/65/04/14/1190650414.db2.gz MXSQQHKUHZRGGS-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2cccnc21 ZINC001569219819 1190654225 /nfs/dbraw/zinc/65/42/25/1190654225.db2.gz MSGZKGATVFKRBB-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001569315396 1190664338 /nfs/dbraw/zinc/66/43/38/1190664338.db2.gz XTOICPUCLVURMR-GFCCVEGCSA-N 0 3 319.276 3.392 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001569354318 1190673852 /nfs/dbraw/zinc/67/38/52/1190673852.db2.gz UVJCEBYAYBFGSH-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001569362287 1190675963 /nfs/dbraw/zinc/67/59/63/1190675963.db2.gz XRRKHVROKALWTD-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1F ZINC001569371649 1190680721 /nfs/dbraw/zinc/68/07/21/1190680721.db2.gz VCRRXHGMPXTYSV-LBPRGKRZSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001569380710 1190685657 /nfs/dbraw/zinc/68/56/57/1190685657.db2.gz CYJRDNISXIKBNH-DAWZGUTISA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001569380708 1190686020 /nfs/dbraw/zinc/68/60/20/1190686020.db2.gz CYJRDNISXIKBNH-ABHNRTSZSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001569480618 1190706186 /nfs/dbraw/zinc/70/61/86/1190706186.db2.gz DZZJOQVCJWVGQB-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001569481173 1190706318 /nfs/dbraw/zinc/70/63/18/1190706318.db2.gz PNFGHJLBJMQFBH-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C=C1CCC1)c1ccc2ccccc2c1 ZINC001569597873 1190720705 /nfs/dbraw/zinc/72/07/05/1190720705.db2.gz PMHQZAOVHHXWJR-HXUWFJFHSA-N 0 3 318.420 3.330 20 30 DGEDHN C#CCN(C(=O)CCC1CCCCC1)C1CCN(CC=C)CC1 ZINC001569596291 1190720892 /nfs/dbraw/zinc/72/08/92/1190720892.db2.gz VKTWTPWARGBKCR-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cccnc1)C1CCCC1 ZINC001569607722 1190722876 /nfs/dbraw/zinc/72/28/76/1190722876.db2.gz WKJUMGBFRSGNPF-QGZVFWFLSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001569654148 1190735487 /nfs/dbraw/zinc/73/54/87/1190735487.db2.gz CCGDVIUGURBOBN-XLIONFOSSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001569706731 1190744242 /nfs/dbraw/zinc/74/42/42/1190744242.db2.gz VVEOEUIHYHTYGK-JKSUJKDBSA-N 0 3 306.494 3.156 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001569714811 1190747813 /nfs/dbraw/zinc/74/78/13/1190747813.db2.gz GKROQYASPXUJGL-IBGZPJMESA-N 0 3 316.445 3.176 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2cccc(C)c2)C1 ZINC001569720743 1190749512 /nfs/dbraw/zinc/74/95/12/1190749512.db2.gz SCSLYWZWJQHGRT-HXUWFJFHSA-N 0 3 314.473 3.332 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)ccc2C)C1 ZINC001569724540 1190750132 /nfs/dbraw/zinc/75/01/32/1190750132.db2.gz YYHMCRCLRYQCOZ-IBGZPJMESA-N 0 3 300.446 3.321 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(C)co1)c1ccccc1CC ZINC001569801604 1190755786 /nfs/dbraw/zinc/75/57/86/1190755786.db2.gz DVNBOQBVTHFZEB-QGZVFWFLSA-N 0 3 312.413 3.397 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C[C@H](C)CC)C2)CC1 ZINC001569800697 1190755822 /nfs/dbraw/zinc/75/58/22/1190755822.db2.gz UDAMGOUPMNELNI-IEBWSBKVSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001569811007 1190757829 /nfs/dbraw/zinc/75/78/29/1190757829.db2.gz LICVSVMLMSCOGJ-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC3CCCCC3)C[C@@H]2C1 ZINC001569882613 1190769585 /nfs/dbraw/zinc/76/95/85/1190769585.db2.gz YCXACMGGTLKPBC-KDURUIRLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001569921310 1190775108 /nfs/dbraw/zinc/77/51/08/1190775108.db2.gz FHKGOJYOUMDIQO-YZGWKJHDSA-N 0 3 324.468 3.455 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CCNCc2cccc(Cl)n2)C1 ZINC001569970391 1190777498 /nfs/dbraw/zinc/77/74/98/1190777498.db2.gz RCEUTBCAUOZLGS-AWEZNQCLSA-N 0 3 321.852 3.029 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC001570017062 1190782150 /nfs/dbraw/zinc/78/21/50/1190782150.db2.gz NODZQVMSELAKIM-INIZCTEOSA-N 0 3 320.864 3.498 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C(C1CC1)C1CC1 ZINC001570028236 1190783681 /nfs/dbraw/zinc/78/36/81/1190783681.db2.gz NZSUBOHXLUZQEN-UHFFFAOYSA-N 0 3 312.457 3.357 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C[C@H](C)CC)cccc2C1 ZINC001570078346 1190791064 /nfs/dbraw/zinc/79/10/64/1190791064.db2.gz UUTALTTUZBVKHH-MRXNPFEDSA-N 0 3 312.457 3.120 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CCC1 ZINC001570121142 1190799962 /nfs/dbraw/zinc/79/99/62/1190799962.db2.gz QGQPSOGONOCGAD-HOTGVXAUSA-N 0 3 304.478 3.101 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)CC(C)C)C2 ZINC001570275567 1190835999 /nfs/dbraw/zinc/83/59/99/1190835999.db2.gz YIRUOAXUOKYQLS-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)CCC ZINC001570520884 1190873467 /nfs/dbraw/zinc/87/34/67/1190873467.db2.gz UCRBABQHEKNPMC-IAGOWNOFSA-N 0 3 300.446 3.371 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cscc1C ZINC001570519142 1190873491 /nfs/dbraw/zinc/87/34/91/1190873491.db2.gz CJNCJXOERHVTQL-QZTJIDSGSA-N 0 3 324.449 3.065 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 ZINC001570548414 1190885793 /nfs/dbraw/zinc/88/57/93/1190885793.db2.gz NPVIZWTXTHFJID-ZDUSSCGKSA-N 0 3 321.490 3.163 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2c(cccc2C)o1 ZINC001570549454 1190886670 /nfs/dbraw/zinc/88/66/70/1190886670.db2.gz YCUKPXPCHLAHNW-OAHLLOKOSA-N 0 3 312.413 3.464 20 30 DGEDHN CCCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570591307 1190895557 /nfs/dbraw/zinc/89/55/57/1190895557.db2.gz XFHJJCFMJQBPGQ-CHWSQXEVSA-N 0 3 307.463 3.183 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001570604113 1190899417 /nfs/dbraw/zinc/89/94/17/1190899417.db2.gz JBJUEYCRYAEKLV-IAGOWNOFSA-N 0 3 312.457 3.123 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl)C1 ZINC001570634293 1190906948 /nfs/dbraw/zinc/90/69/48/1190906948.db2.gz SIXICPRHCBYIDH-MNOVXSKESA-N 0 3 305.249 3.145 20 30 DGEDHN C[C@@H](CNC(=O)CC1CCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001570693716 1190919047 /nfs/dbraw/zinc/91/90/47/1190919047.db2.gz QTJROQHSUISYNE-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001570860373 1190967869 /nfs/dbraw/zinc/96/78/69/1190967869.db2.gz SJGSJCIQLDZYBG-WMLDXEAASA-N 0 3 310.457 3.308 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H](CC)CCCC)C(C)(C)C1 ZINC001570899971 1190972764 /nfs/dbraw/zinc/97/27/64/1190972764.db2.gz WXUSARGTKCZHTD-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CCCC[C@@H](C)CC)C(C)(C)C1 ZINC001570897462 1190972772 /nfs/dbraw/zinc/97/27/72/1190972772.db2.gz RSSQHWIYOJZYOE-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC[C@H](C)CC)C[C@]2(C)C1 ZINC001571063734 1190981470 /nfs/dbraw/zinc/98/14/70/1190981470.db2.gz FGRZSZUHLUUJTE-QRQLOZEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001571132495 1190983493 /nfs/dbraw/zinc/98/34/93/1190983493.db2.gz ROWHXTNGMPSOBU-FPCVCCKLSA-N 0 3 312.885 3.440 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@@H](C)C(C)(C)C)NCc1ccc(C#N)s1 ZINC001571393919 1191012592 /nfs/dbraw/zinc/01/25/92/1191012592.db2.gz ZEYCJMXEUUWTSN-QWHCGFSZSA-N 0 3 321.490 3.238 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2sccc2Cl)[C@H]1C ZINC001571456090 1191023243 /nfs/dbraw/zinc/02/32/43/1191023243.db2.gz YVKLYKNRHZKVJX-OCCSQVGLSA-N 0 3 324.877 3.140 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)CC(F)(F)F)CCC[C@H]12 ZINC001571505093 1191035325 /nfs/dbraw/zinc/03/53/25/1191035325.db2.gz MUYFRFJNKMEYCD-KCQAQPDRSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2nccs2)C1 ZINC001571544478 1191048399 /nfs/dbraw/zinc/04/83/99/1191048399.db2.gz OFRDEXVZALBIKS-UONOGXRCSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H](NCCF)C(C)(C)C2)CCCCC1 ZINC001571568480 1191054411 /nfs/dbraw/zinc/05/44/11/1191054411.db2.gz KFNDZIGCZDAWQM-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCC(F)(F)C1)C(C)C ZINC001571612376 1191057332 /nfs/dbraw/zinc/05/73/32/1191057332.db2.gz IRZIWZZSCKSNLP-AWEZNQCLSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC1(C(F)(F)F)CC1)C(C)C ZINC001571612556 1191058692 /nfs/dbraw/zinc/05/86/92/1191058692.db2.gz OLYFIOSFFUHFQK-UHFFFAOYSA-N 0 3 320.399 3.464 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCN(C)CC=C(C)C)C(C)C)cc1 ZINC001571613920 1191058787 /nfs/dbraw/zinc/05/87/87/1191058787.db2.gz NSIJDOQMUWYJIX-UHFFFAOYSA-N 0 3 312.457 3.417 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(Cl)cc1)C(C)C ZINC001571615789 1191062737 /nfs/dbraw/zinc/06/27/37/1191062737.db2.gz DWJSWYQCBCBORU-UHFFFAOYSA-N 0 3 306.837 3.146 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2c[nH]c3ccccc23)CC1 ZINC001571699613 1191085539 /nfs/dbraw/zinc/08/55/39/1191085539.db2.gz XKBDYXLZOXQTQV-UHFFFAOYSA-N 0 3 323.440 3.035 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2(F)CCCCC2)c(F)c1 ZINC001571703322 1191086361 /nfs/dbraw/zinc/08/63/61/1191086361.db2.gz BTVDMLSAZCOLKX-UHFFFAOYSA-N 0 3 322.399 3.390 20 30 DGEDHN C#C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC001574505190 1191445450 /nfs/dbraw/zinc/44/54/50/1191445450.db2.gz PSYKGIMPNSXMNA-SJORKVTESA-N 0 3 312.800 3.221 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC001574857751 1191454630 /nfs/dbraw/zinc/45/46/30/1191454630.db2.gz ZCEBSIUULPKFQH-ZDUSSCGKSA-N 0 3 305.765 3.058 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC001574857154 1191454846 /nfs/dbraw/zinc/45/48/46/1191454846.db2.gz MQZUYROSKIPPRY-CMPLNLGQSA-N 0 3 323.849 3.347 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001574902887 1191458197 /nfs/dbraw/zinc/45/81/97/1191458197.db2.gz ITQXMUULHZQMQR-MJGOQNOKSA-N 0 3 323.440 3.103 20 30 DGEDHN C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CNC3)cc1OC ZINC001574943569 1191459164 /nfs/dbraw/zinc/45/91/64/1191459164.db2.gz MHBSEDTXWSNMRQ-UHFFFAOYSA-N 0 3 324.380 3.116 20 30 DGEDHN CC#CC[C@@H](N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001574972676 1191461889 /nfs/dbraw/zinc/46/18/89/1191461889.db2.gz OCYPRKHXNLDNRY-HXUWFJFHSA-N 0 3 320.436 3.066 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCc2sccc21 ZINC001618813028 1193753219 /nfs/dbraw/zinc/75/32/19/1193753219.db2.gz BVYVODUILBSPPS-OAHLLOKOSA-N 0 3 306.475 3.134 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1-c1ccncc1 ZINC001618813883 1193753272 /nfs/dbraw/zinc/75/32/72/1193753272.db2.gz NAUQGSGHYMSBTB-UHFFFAOYSA-N 0 3 323.440 3.329 20 30 DGEDHN CN1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C(C)(C)C ZINC001619308317 1193757910 /nfs/dbraw/zinc/75/79/10/1193757910.db2.gz KVQPABKXWBUIBW-MRXNPFEDSA-N 0 3 305.853 3.374 20 30 DGEDHN C#CCN(CC1(CC(=O)OC)CC1)[C@H]1CCCc2ccccc21 ZINC001620612372 1193783402 /nfs/dbraw/zinc/78/34/02/1193783402.db2.gz CYEYDSMLUOBQTA-SFHVURJKSA-N 0 3 311.425 3.343 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H](CC)[C@@H](O)C(C)C ZINC001621393390 1193836965 /nfs/dbraw/zinc/83/69/65/1193836965.db2.gz VWCCKIAWCPXZOU-RDJZCZTQSA-N 0 3 309.837 3.237 20 30 DGEDHN C=C(C)CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001625765577 1194067652 /nfs/dbraw/zinc/06/76/52/1194067652.db2.gz IGQNAVCRSBRQRQ-UHFFFAOYSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1oc2ccccc2c1C ZINC001626744967 1194093211 /nfs/dbraw/zinc/09/32/11/1194093211.db2.gz NNPRFNAQWDYUIA-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001626754996 1194094239 /nfs/dbraw/zinc/09/42/39/1194094239.db2.gz OQXWXBGADQJCTM-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)cccc1[O-])C(C)C ZINC001627131288 1194113977 /nfs/dbraw/zinc/11/39/77/1194113977.db2.gz HPCGYNIANCUCDL-MRXNPFEDSA-N 0 3 316.445 3.129 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)COc1ccccc1C(C)C ZINC001634636376 1194505524 /nfs/dbraw/zinc/50/55/24/1194505524.db2.gz OYYNRUBNXDVOME-UHFFFAOYSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001634641186 1194506376 /nfs/dbraw/zinc/50/63/76/1194506376.db2.gz ZJZOCNXSLPFJSQ-FQEVSTJZSA-N 0 3 314.473 3.148 20 30 DGEDHN C#CCN(C)CCCNC(=O)NCC1CC(C)(C)CC(C)(C)C1 ZINC001635737987 1194568586 /nfs/dbraw/zinc/56/85/86/1194568586.db2.gz CQIMMJPJQOADOC-UHFFFAOYSA-N 0 3 321.509 3.093 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2ccc(C)nc21 ZINC001635757911 1194569941 /nfs/dbraw/zinc/56/99/41/1194569941.db2.gz QFIDXMDGVDPFMX-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCCN1C ZINC001638829740 1194740238 /nfs/dbraw/zinc/74/02/38/1194740238.db2.gz XRCQUVDJFJAHSV-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1sccc1-n1cccc1 ZINC001640016509 1194791497 /nfs/dbraw/zinc/79/14/97/1194791497.db2.gz YEUMXNONBMSWKZ-UHFFFAOYSA-N 0 3 317.458 3.119 20 30 DGEDHN N#Cc1ccc(N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c(F)c1 ZINC001641669888 1194866278 /nfs/dbraw/zinc/86/62/78/1194866278.db2.gz GRUVTOASXWBBMR-IXDOHACOSA-N 0 3 313.420 3.256 20 30 DGEDHN C#CCN(C)CCCNC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C ZINC001641723618 1194868073 /nfs/dbraw/zinc/86/80/73/1194868073.db2.gz BZQVRPHKTQLKLK-RPIAPYSOSA-N 0 3 304.478 3.076 20 30 DGEDHN C#CCN(C)CCCNC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C ZINC001641723619 1194868306 /nfs/dbraw/zinc/86/83/06/1194868306.db2.gz BZQVRPHKTQLKLK-ZDWZFIHFSA-N 0 3 304.478 3.076 20 30 DGEDHN CC#CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001642362349 1194905068 /nfs/dbraw/zinc/90/50/68/1194905068.db2.gz CEHUTBSTVKLJBA-UHFFFAOYSA-N 0 3 302.421 3.397 20 30 DGEDHN C#CCNC(=O)CNC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001642420299 1194909786 /nfs/dbraw/zinc/90/97/86/1194909786.db2.gz LRVJGOBJOXXSTJ-UHFFFAOYSA-N 0 3 312.457 3.092 20 30 DGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001643487509 1195028928 /nfs/dbraw/zinc/02/89/28/1195028928.db2.gz XBEFOWNAVWCVJE-GRYCIOLGSA-N 0 3 305.809 3.126 20 30 DGEDHN C[C@@H]1[C@H](C)CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC001643487513 1195029270 /nfs/dbraw/zinc/02/92/70/1195029270.db2.gz XBEFOWNAVWCVJE-UTUOFQBUSA-N 0 3 305.809 3.126 20 30 DGEDHN C=CCO[C@H]1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001645015845 1195150886 /nfs/dbraw/zinc/15/08/86/1195150886.db2.gz NWVVQCSJCHHLRL-LSDHHAIUSA-N 0 3 315.335 3.016 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(CC[C@@H]1CCCC1(F)F)C2 ZINC001648528608 1195307535 /nfs/dbraw/zinc/30/75/35/1195307535.db2.gz FDUXVYPBQIWYGD-JTQLQIEISA-N 0 3 311.401 3.386 20 30 DGEDHN C=CCCCN(CC)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC001648544648 1195308154 /nfs/dbraw/zinc/30/81/54/1195308154.db2.gz WRCFQORSRXNASZ-KRWDZBQOSA-N 0 3 302.462 3.330 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1ccccc1C)C1CC1 ZINC001649448740 1195341893 /nfs/dbraw/zinc/34/18/93/1195341893.db2.gz XZUVCUDLCAJKQR-GOSISDBHSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(C)(NCc2ocnc2C)CC1 ZINC001649458969 1195344646 /nfs/dbraw/zinc/34/46/46/1195344646.db2.gz IWIFBXFRPUAQTR-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN CCN1C[C@H](C)N(c2ncc(C#N)c3ccsc32)C[C@@H]1C ZINC001650927343 1195396496 /nfs/dbraw/zinc/39/64/96/1195396496.db2.gz IZTLLYOWNRNXGG-RYUDHWBXSA-N 0 3 300.431 3.087 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2ccoc2)c1 ZINC001651331252 1195445001 /nfs/dbraw/zinc/44/50/01/1195445001.db2.gz ZWJPZWVLWMGQBM-UHFFFAOYSA-N 0 3 305.175 3.246 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2N(C)C)C1(C)C ZINC001651750575 1195505383 /nfs/dbraw/zinc/50/53/83/1195505383.db2.gz IPDFLOUOOIAHCO-QZTJIDSGSA-N 0 3 315.461 3.260 20 30 DGEDHN C=C[C@H](C(=O)N1CCN(C2CCCC2)[C@@H](C)C1)c1ccccc1 ZINC001651773794 1195507649 /nfs/dbraw/zinc/50/76/49/1195507649.db2.gz AODXLMWOTUALLG-LPHOPBHVSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCCCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001652479655 1195604200 /nfs/dbraw/zinc/60/42/00/1195604200.db2.gz CCYPJRKFUFWCRH-SFHVURJKSA-N 0 3 322.880 3.347 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCCN1[O-] ZINC001652756085 1195647819 /nfs/dbraw/zinc/64/78/19/1195647819.db2.gz HSTFHZMCKLYTGJ-NUEKZKHPSA-N 0 3 322.836 3.021 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCCN1[O-] ZINC001652756083 1195648361 /nfs/dbraw/zinc/64/83/61/1195648361.db2.gz HSTFHZMCKLYTGJ-CWRNSKLLSA-N 0 3 322.836 3.021 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001653251918 1195704054 /nfs/dbraw/zinc/70/40/54/1195704054.db2.gz OLJQLXDCDATMSB-FQEVSTJZSA-N 0 3 317.392 3.152 20 30 DGEDHN COc1ccc(C[C@H]2CCN2CCOc2ccccc2C#N)cc1 ZINC001653547505 1195733125 /nfs/dbraw/zinc/73/31/25/1195733125.db2.gz ZUGAFNCWRGKSTB-GOSISDBHSA-N 0 3 322.408 3.263 20 30 DGEDHN CO[C@]1(C)C[C@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC001653642822 1195741071 /nfs/dbraw/zinc/74/10/71/1195741071.db2.gz SOOFZZDHCIHJGY-WMLDXEAASA-N 0 3 324.371 3.453 20 30 DGEDHN C=C(Cl)CN[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001654383307 1195798672 /nfs/dbraw/zinc/79/86/72/1195798672.db2.gz QXJKXECLMMZZLW-CYZMBNFOSA-N 0 3 302.846 3.363 20 30 DGEDHN C=C(C)CN(CCCOCC(F)(F)F)Cc1ccc(CO)o1 ZINC001654425024 1195802629 /nfs/dbraw/zinc/80/26/29/1195802629.db2.gz JJCKVMYIUOGRER-UHFFFAOYSA-N 0 3 321.339 3.119 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2cccc(OC)c2)CC1 ZINC001654556433 1195816272 /nfs/dbraw/zinc/81/62/72/1195816272.db2.gz DNRHQSVPWGQJSX-UHFFFAOYSA-N 0 3 314.473 3.397 20 30 DGEDHN CC(C)(NC[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001654801413 1195841720 /nfs/dbraw/zinc/84/17/20/1195841720.db2.gz MJKVOKLNDRKNDL-KRWDZBQOSA-N 0 3 316.351 3.395 20 30 DGEDHN C[C@@H]1CN(c2ccnc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001655279323 1195898983 /nfs/dbraw/zinc/89/89/83/1195898983.db2.gz WMOSQVDOFBGFBT-CVEARBPZSA-N 0 3 306.413 3.052 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCCC1(CCC)CCC ZINC001673203404 1195905533 /nfs/dbraw/zinc/90/55/33/1195905533.db2.gz VCAVOVZUCLNNDF-UHFFFAOYSA-N 0 3 307.482 3.086 20 30 DGEDHN C=CCC[C@H](O)CN1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001655466370 1195921658 /nfs/dbraw/zinc/92/16/58/1195921658.db2.gz OUBWLSQUUPJYGU-HNNXBMFYSA-N 0 3 319.445 3.124 20 30 DGEDHN Cc1ccc(CN2CCC[C@@]2(CO)c2ccccc2)cc1C#N ZINC001655898034 1195974934 /nfs/dbraw/zinc/97/49/34/1195974934.db2.gz CRBRLHLDYIPKKA-HXUWFJFHSA-N 0 3 306.409 3.350 20 30 DGEDHN Cc1ccc(CN2CCC[C@]2(CO)c2ccccc2)cc1C#N ZINC001655898033 1195975052 /nfs/dbraw/zinc/97/50/52/1195975052.db2.gz CRBRLHLDYIPKKA-FQEVSTJZSA-N 0 3 306.409 3.350 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001656077809 1195994509 /nfs/dbraw/zinc/99/45/09/1195994509.db2.gz NUYGUVRBBAIZDQ-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(C)cc1Cl ZINC001656078148 1195994949 /nfs/dbraw/zinc/99/49/49/1195994949.db2.gz VJDKURGNKZSHQY-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001656103232 1196003094 /nfs/dbraw/zinc/00/30/94/1196003094.db2.gz YSNFMOSIWIMBCE-QWHCGFSZSA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCC(=C)C)CCCCC1 ZINC001656112881 1196004602 /nfs/dbraw/zinc/00/46/02/1196004602.db2.gz LXHPHHJSWKOWAT-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001656329697 1196030678 /nfs/dbraw/zinc/03/06/78/1196030678.db2.gz HEYITLXJMRGXPB-HRCADAONSA-N 0 3 310.869 3.360 20 30 DGEDHN CC(C)C#CC(=O)N1CC2(C[C@H]1C)CCN(C/C=C\Cl)CC2 ZINC001656394005 1196035742 /nfs/dbraw/zinc/03/57/42/1196035742.db2.gz PFGKTOXKKPAEDK-VCELZJIISA-N 0 3 322.880 3.101 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@@H](NCc2cnc(C)s2)C1 ZINC001656881705 1196078810 /nfs/dbraw/zinc/07/88/10/1196078810.db2.gz VTFFTCVLIUXUTA-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C[C@@H](C)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001656887183 1196079877 /nfs/dbraw/zinc/07/98/77/1196079877.db2.gz RFQAICSQTIMVSD-LLVKDONJSA-N 0 3 306.207 3.299 20 30 DGEDHN COc1cc(CN(CCO)[C@@H](C)c2ccccc2)ccc1C#N ZINC001657286345 1196126492 /nfs/dbraw/zinc/12/64/92/1196126492.db2.gz DLNPWQNENZQNJG-HNNXBMFYSA-N 0 3 310.397 3.122 20 30 DGEDHN COc1ccc(C[C@H]2CCN2Cc2ccc(C#N)c(OC)c2)cc1 ZINC001657373115 1196134514 /nfs/dbraw/zinc/13/45/14/1196134514.db2.gz QZAMITGUFMGIPD-GOSISDBHSA-N 0 3 322.408 3.392 20 30 DGEDHN COc1nsc(CNCCc2ccc(C#N)cc2)c1Cl ZINC001658277715 1196234696 /nfs/dbraw/zinc/23/46/96/1196234696.db2.gz GKZORRZDMYPHBV-UHFFFAOYSA-N 0 3 307.806 3.009 20 30 DGEDHN Cc1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1C#N ZINC001658578479 1196275357 /nfs/dbraw/zinc/27/53/57/1196275357.db2.gz ZPFBPLSDOBXQOG-UHFFFAOYSA-N 0 3 316.307 3.478 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001658720029 1196291643 /nfs/dbraw/zinc/29/16/43/1196291643.db2.gz DSYPRAWVHDDMPW-HXUWFJFHSA-N 0 3 314.473 3.034 20 30 DGEDHN N#Cc1ccc(CNCCCOc2cccc(F)c2)c(F)c1 ZINC001658721172 1196291678 /nfs/dbraw/zinc/29/16/78/1196291678.db2.gz OHVBYNIVRONCIA-UHFFFAOYSA-N 0 3 302.324 3.395 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(Cc2cccc(C#N)n2)CC1 ZINC001658832441 1196307508 /nfs/dbraw/zinc/30/75/08/1196307508.db2.gz DTNDSWSDGGVKCQ-FQEVSTJZSA-N 0 3 320.440 3.222 20 30 DGEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCOCC2)cc1 ZINC001659082175 1196342417 /nfs/dbraw/zinc/34/24/17/1196342417.db2.gz RKLKYGKFEYKLLQ-LSDHHAIUSA-N 0 3 302.418 3.097 20 30 DGEDHN C[C@@H](Cc1ccc2c(c1)CCCC2)NCC1(C#N)CCOCC1 ZINC001659086312 1196343580 /nfs/dbraw/zinc/34/35/80/1196343580.db2.gz WYDHWTMWIKWDFM-INIZCTEOSA-N 0 3 312.457 3.406 20 30 DGEDHN Cc1ccccc1OCCN(C)Cc1cc(C#N)ccc1N(C)C ZINC001659273437 1196365759 /nfs/dbraw/zinc/36/57/59/1196365759.db2.gz LNVARYGLTWBBFU-UHFFFAOYSA-N 0 3 323.440 3.444 20 30 DGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCOCC2)C12CCCCC2 ZINC001660206259 1196457199 /nfs/dbraw/zinc/45/71/99/1196457199.db2.gz PUZPEHHAAAZSRB-HOTGVXAUSA-N 0 3 306.450 3.024 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001660426240 1196481863 /nfs/dbraw/zinc/48/18/63/1196481863.db2.gz NGOHIFPDTLZKMX-GJZGRUSLSA-N 0 3 323.868 3.059 20 30 DGEDHN CC(=O)N1CCCC[C@H]1[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001660426152 1196482039 /nfs/dbraw/zinc/48/20/39/1196482039.db2.gz MOLZIDALDLHBFN-KDOFPFPSSA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC001660749596 1196518890 /nfs/dbraw/zinc/51/88/90/1196518890.db2.gz QVWJWCHEXKCOAP-UHFFFAOYSA-N 0 3 312.457 3.202 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001660851030 1196534609 /nfs/dbraw/zinc/53/46/09/1196534609.db2.gz HEJJIQHOHOZODZ-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001660991155 1196550849 /nfs/dbraw/zinc/55/08/49/1196550849.db2.gz CXOGYITYRJUZDZ-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001661015257 1196553160 /nfs/dbraw/zinc/55/31/60/1196553160.db2.gz BTVSQZFNOTVYFB-WBVHZDCISA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001661024391 1196555485 /nfs/dbraw/zinc/55/54/85/1196555485.db2.gz NQXCNLMURWNYCB-HNNXBMFYSA-N 0 3 316.376 3.342 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)COC(C)C ZINC001661240200 1196587028 /nfs/dbraw/zinc/58/70/28/1196587028.db2.gz ARSDSXPLFFJVCI-CALCHBBNSA-N 0 3 310.482 3.057 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001661239742 1196587035 /nfs/dbraw/zinc/58/70/35/1196587035.db2.gz LIJIDOXVQSATAC-BMFZPTHFSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CSC ZINC001661244656 1196587997 /nfs/dbraw/zinc/58/79/97/1196587997.db2.gz LOMHGYPCSXWDNM-YHUYYLMFSA-N 0 3 310.507 3.015 20 30 DGEDHN CCCC[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001661303867 1196592725 /nfs/dbraw/zinc/59/27/25/1196592725.db2.gz CMYAKOWUOOKJEP-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001661346117 1196596030 /nfs/dbraw/zinc/59/60/30/1196596030.db2.gz MVWODBAARSUTIX-HKUYNNGSSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001661463494 1196608594 /nfs/dbraw/zinc/60/85/94/1196608594.db2.gz ZQAJVKXOYMYDTD-QEJZJMRPSA-N 0 3 321.852 3.074 20 30 DGEDHN CC#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001661533640 1196616492 /nfs/dbraw/zinc/61/64/92/1196616492.db2.gz IOICFQJVSKASCY-XYTVBORESA-N 0 3 308.441 3.040 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC2CCCC2)C1 ZINC001661555796 1196618271 /nfs/dbraw/zinc/61/82/71/1196618271.db2.gz OIZSXMFHQKBJQB-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001661589059 1196622447 /nfs/dbraw/zinc/62/24/47/1196622447.db2.gz GXZMZVQPIWRQCW-AEGPPILISA-N 0 3 320.383 3.066 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001661654311 1196628877 /nfs/dbraw/zinc/62/88/77/1196628877.db2.gz PLGDFWDUTCFLRU-BHLPSOOASA-N 0 3 318.848 3.469 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001661665745 1196629363 /nfs/dbraw/zinc/62/93/63/1196629363.db2.gz LGRTUOPRPLDBFM-FPMFFAJLSA-N 0 3 324.827 3.309 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001661890848 1196659139 /nfs/dbraw/zinc/65/91/39/1196659139.db2.gz MMCYWZYLQUFUCQ-IRXDYDNUSA-N 0 3 316.445 3.001 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](CCC)CC(C)C ZINC001661896122 1196660580 /nfs/dbraw/zinc/66/05/80/1196660580.db2.gz LHTIIFZCZAUSGC-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@H](CNC(=O)[C@@H](C)C#N)NC1c2ccccc2-c2ccccc21 ZINC001662180420 1196691329 /nfs/dbraw/zinc/69/13/29/1196691329.db2.gz UXIVSXSZJIOHFX-UONOGXRCSA-N 0 3 319.408 3.010 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccc(C(C)C)nc1C ZINC001662304082 1196705171 /nfs/dbraw/zinc/70/51/71/1196705171.db2.gz SPJUUUHJDKRVPS-AWEZNQCLSA-N 0 3 317.477 3.320 20 30 DGEDHN CCC[C@@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001662350865 1196711044 /nfs/dbraw/zinc/71/10/44/1196711044.db2.gz OFBAUKORZKGFFL-CZUORRHYSA-N 0 3 321.490 3.286 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H]1CC[C@@H](C)CC1)NCc1ccc(C#N)s1 ZINC001662393724 1196717205 /nfs/dbraw/zinc/71/72/05/1196717205.db2.gz DGDQLNIRNGQXRR-IHRRRGAJSA-N 0 3 319.474 3.040 20 30 DGEDHN CC(C)(NCc1ccc(-n2cncn2)cc1)c1cccc(C#N)c1 ZINC001662851584 1196761659 /nfs/dbraw/zinc/76/16/59/1196761659.db2.gz KCCSZWPIEJIJLZ-UHFFFAOYSA-N 0 3 317.396 3.164 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001662851373 1196762107 /nfs/dbraw/zinc/76/21/07/1196762107.db2.gz RWVCZHIPISYRAU-HXUWFJFHSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1coc2ccccc21 ZINC001663019967 1196783977 /nfs/dbraw/zinc/78/39/77/1196783977.db2.gz LCWOWDYFIZDTGD-LBPRGKRZSA-N 0 3 306.793 3.283 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001663254420 1196820149 /nfs/dbraw/zinc/82/01/49/1196820149.db2.gz ZMVPYSPUKBZLDQ-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1oc2c(cccc2C)c1C ZINC001663339009 1196837996 /nfs/dbraw/zinc/83/79/96/1196837996.db2.gz BIXDGXBBCFUXSF-UHFFFAOYSA-N 0 3 300.402 3.287 20 30 DGEDHN CCN(CCNC(=O)C(C)(C)C(C)C)Cc1ccc(C#N)cc1 ZINC001663386351 1196852905 /nfs/dbraw/zinc/85/29/05/1196852905.db2.gz XJYZQKWPEQJECH-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001663396735 1196856309 /nfs/dbraw/zinc/85/63/09/1196856309.db2.gz ORNAHFGLUXFWEL-QZTJIDSGSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1[C@H](C)c1ccc(F)cc1 ZINC001663476358 1196881751 /nfs/dbraw/zinc/88/17/51/1196881751.db2.gz UFCFQKXGXVDYBL-PBHICJAKSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCCC(C)(C)CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC001663510553 1196890625 /nfs/dbraw/zinc/89/06/25/1196890625.db2.gz JDEHCMBKOWSIQL-UHFFFAOYSA-N 0 3 324.490 3.019 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001663518643 1196892627 /nfs/dbraw/zinc/89/26/27/1196892627.db2.gz JGPAMEKNGXUEDI-CXOXVUTBSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CCc2c1cccc2Cl)C1CC1 ZINC001663740042 1196936611 /nfs/dbraw/zinc/93/66/11/1196936611.db2.gz UXAXORSJLHCQMT-MRXNPFEDSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C)C1CC1 ZINC001663762840 1196942473 /nfs/dbraw/zinc/94/24/73/1196942473.db2.gz CJZZRAHHSFQBPD-RBUKOAKNSA-N 0 3 312.457 3.255 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](CC)CC(F)(F)F)C1CC1 ZINC001663769489 1196942688 /nfs/dbraw/zinc/94/26/88/1196942688.db2.gz SOJFJXFHUQLRHN-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN CCCC(=O)NCCCN(Cc1ccccc1C#N)C(C)C ZINC001664477171 1197004190 /nfs/dbraw/zinc/00/41/90/1197004190.db2.gz IMFSLXSJDOXHOY-UHFFFAOYSA-N 0 3 301.434 3.075 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccoc1)c1ccc(C(C)C)cc1 ZINC001664561692 1197013796 /nfs/dbraw/zinc/01/37/96/1197013796.db2.gz LDIKDBXCWZGGGG-IBGZPJMESA-N 0 3 324.424 3.487 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc(C)cc(C)n1)c1ccccc1 ZINC001664583865 1197017507 /nfs/dbraw/zinc/01/75/07/1197017507.db2.gz XMGVIOBVFAPIAX-LJQANCHMSA-N 0 3 323.440 3.335 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@H]1CCCC1(F)F)c1ccccc1 ZINC001664588113 1197018286 /nfs/dbraw/zinc/01/82/86/1197018286.db2.gz OQOLJRKMGORUCL-CVEARBPZSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001664587779 1197018420 /nfs/dbraw/zinc/01/84/20/1197018420.db2.gz GZFGYDISYXSSTR-IRXDYDNUSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001664604388 1197020375 /nfs/dbraw/zinc/02/03/75/1197020375.db2.gz NCLWNUKANRMXPJ-LJQANCHMSA-N 0 3 324.399 3.240 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001664604387 1197020491 /nfs/dbraw/zinc/02/04/91/1197020491.db2.gz NCLWNUKANRMXPJ-IBGZPJMESA-N 0 3 324.399 3.240 20 30 DGEDHN CCCCC(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001664695958 1197039099 /nfs/dbraw/zinc/03/90/99/1197039099.db2.gz ULFZXSMANVYYLS-IBGZPJMESA-N 0 3 312.457 3.057 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)c3n2CCCC3)C1 ZINC001665199708 1197107742 /nfs/dbraw/zinc/10/77/42/1197107742.db2.gz YMLDQSJADZFWOK-OAHLLOKOSA-N 0 3 316.445 3.399 20 30 DGEDHN C#Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001665211828 1197109393 /nfs/dbraw/zinc/10/93/93/1197109393.db2.gz YDOZXEUWMSNOBA-GOSISDBHSA-N 0 3 307.397 3.092 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001665432661 1197136125 /nfs/dbraw/zinc/13/61/25/1197136125.db2.gz GZTNSPVBRBVTQX-GBESFXJTSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2)CC1 ZINC001665428786 1197137235 /nfs/dbraw/zinc/13/72/35/1197137235.db2.gz JFIBRLLZDSSSAW-WDSOQIARSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001665505521 1197145455 /nfs/dbraw/zinc/14/54/55/1197145455.db2.gz SWIWHNRRPZNNIQ-JSGCOSHPSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665574278 1197153565 /nfs/dbraw/zinc/15/35/65/1197153565.db2.gz WHMRTUAJNXTREI-MJGOQNOKSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2C)C1 ZINC001665652229 1197164992 /nfs/dbraw/zinc/16/49/92/1197164992.db2.gz BLLUGRKJSYUHTR-KRWDZBQOSA-N 0 3 300.446 3.240 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1ccccc1F ZINC001665793553 1197198223 /nfs/dbraw/zinc/19/82/23/1197198223.db2.gz PHAKKQMYIVWVHE-OAHLLOKOSA-N 0 3 306.425 3.412 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001665828238 1197203068 /nfs/dbraw/zinc/20/30/68/1197203068.db2.gz LEOLVJLZQOWTKY-LYDJUCFBSA-N 0 3 310.441 3.045 20 30 DGEDHN FC(F)(F)c1ccc(NCCNCC#Cc2ccccc2)nc1 ZINC001665942859 1197219923 /nfs/dbraw/zinc/21/99/23/1197219923.db2.gz NECSUFYKQJPIQJ-UHFFFAOYSA-N 0 3 319.330 3.154 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CC2CCC1CC2)C1CC1 ZINC001666044554 1197230733 /nfs/dbraw/zinc/23/07/33/1197230733.db2.gz SHBGABDFLXNSIG-WINAAZSOSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cc(C)ns2)CCCC1 ZINC001666763540 1197283427 /nfs/dbraw/zinc/28/34/27/1197283427.db2.gz KPPKWIWQHWNLBS-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cnc(C)s2)CCCC1 ZINC001666782914 1197285209 /nfs/dbraw/zinc/28/52/09/1197285209.db2.gz SLRGTBGVQDOJIT-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001667018350 1197308581 /nfs/dbraw/zinc/30/85/81/1197308581.db2.gz OALONSDACVSHPP-MSOLQXFVSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1cnoc1C ZINC001667375288 1197341940 /nfs/dbraw/zinc/34/19/40/1197341940.db2.gz RYYLOXTVYRAZNC-WMLDXEAASA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N1CCC(CCN(C)Cc2cnoc2C)CC1 ZINC001667410029 1197344618 /nfs/dbraw/zinc/34/46/18/1197344618.db2.gz CXXJBFPARUGJMY-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN CC(C)[C@@H](CNC(=O)c1ccccc1)NCC#Cc1ccccc1 ZINC001667430745 1197347252 /nfs/dbraw/zinc/34/72/52/1197347252.db2.gz JHZFWMVLAUGDKT-HXUWFJFHSA-N 0 3 320.436 3.082 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)C(C)(C)CC)C(C)C ZINC001667488340 1197352562 /nfs/dbraw/zinc/35/25/62/1197352562.db2.gz DVQNTNAQWTXXLX-GFCCVEGCSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(F)cc1C)C(C)C ZINC001667512886 1197355664 /nfs/dbraw/zinc/35/56/64/1197355664.db2.gz LBOLSUUPOCXFPC-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)CCc1ccccc1Cl ZINC001667556852 1197361883 /nfs/dbraw/zinc/36/18/83/1197361883.db2.gz LNXUPYFZYMVLDE-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001667580267 1197364314 /nfs/dbraw/zinc/36/43/14/1197364314.db2.gz AYKDRBLOLKJVON-CMDGGOBGSA-N 0 3 300.446 3.142 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001667659502 1197376381 /nfs/dbraw/zinc/37/63/81/1197376381.db2.gz GQPVPOSLSLXHGH-UHFFFAOYSA-N 0 3 320.864 3.338 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNCc1nccs1 ZINC001667726436 1197382893 /nfs/dbraw/zinc/38/28/93/1197382893.db2.gz FPOUWKFQBCFOOA-UONOGXRCSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1c(C)noc1CC ZINC001668162157 1197402397 /nfs/dbraw/zinc/40/23/97/1197402397.db2.gz AHBGFOHHZNQKSU-ZDUSSCGKSA-N 0 3 321.465 3.132 20 30 DGEDHN CC[C@@H](NCCN(CC)C(=O)[C@@H](C)C#N)c1ccc(F)cc1F ZINC001668387995 1197413046 /nfs/dbraw/zinc/41/30/46/1197413046.db2.gz GUINOGCZRXNKRZ-BLLLJJGKSA-N 0 3 323.387 3.014 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CNCc1ccc(F)cc1C ZINC001668988249 1197436677 /nfs/dbraw/zinc/43/66/77/1197436677.db2.gz ANLAOGYWEMENIA-FPLPWBNLSA-N 0 3 316.420 3.090 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001669182908 1197442854 /nfs/dbraw/zinc/44/28/54/1197442854.db2.gz JXGHCWVLJCHFBB-XHDCIHGFSA-N 0 3 312.457 3.102 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001669745840 1197474890 /nfs/dbraw/zinc/47/48/90/1197474890.db2.gz DHONXSNQLWQSPY-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)CC1 ZINC001669877080 1197496516 /nfs/dbraw/zinc/49/65/16/1197496516.db2.gz BOAZYZBUBBUOMG-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001669878060 1197497168 /nfs/dbraw/zinc/49/71/68/1197497168.db2.gz WPMACOSJYPZAHT-BEFAXECRSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001669920868 1197504544 /nfs/dbraw/zinc/50/45/44/1197504544.db2.gz OFYHFUKEYCARQA-CHWSQXEVSA-N 0 3 306.475 3.109 20 30 DGEDHN C#CCCCC(=O)NC1(C)CCN(C/C=C/c2ccccc2)CC1 ZINC001671412597 1197538511 /nfs/dbraw/zinc/53/85/11/1197538511.db2.gz RVBFCYDXNUTOBC-FMIVXFBMSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCN(C(=O)C[C@H](CC)C(C)C)C1CCN(CC=C)CC1 ZINC001671504136 1197543256 /nfs/dbraw/zinc/54/32/56/1197543256.db2.gz PEWDRNYLGKTMAN-KRWDZBQOSA-N 0 3 304.478 3.171 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001671638555 1197556217 /nfs/dbraw/zinc/55/62/17/1197556217.db2.gz SJJAJCJECKDRGC-FNUUXAGOSA-N 0 3 310.441 3.084 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001671671744 1197559987 /nfs/dbraw/zinc/55/99/87/1197559987.db2.gz BDWHPLRIEYRFII-BEFAXECRSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cc(Cl)ccc2C)CC1 ZINC001671857594 1197576193 /nfs/dbraw/zinc/57/61/93/1197576193.db2.gz AOSXTGMWAXEMJW-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001671915991 1197584752 /nfs/dbraw/zinc/58/47/52/1197584752.db2.gz CLPCYKWXDSBBIO-HNAYVOBHSA-N 0 3 318.436 3.334 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC1(C)CC1)c1ccccc1CC ZINC001672175808 1197594823 /nfs/dbraw/zinc/59/48/23/1197594823.db2.gz ARIOUXUWEWDHNZ-QGZVFWFLSA-N 0 3 300.446 3.372 20 30 DGEDHN C#CCN(C)CCCNC(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001672303421 1197604222 /nfs/dbraw/zinc/60/42/22/1197604222.db2.gz YRFQITWBSUBAAE-DLBZAZTESA-N 0 3 321.509 3.093 20 30 DGEDHN CCC(=O)N(CCNCc1cccc(C#N)c1)Cc1ccccc1 ZINC001672381362 1197608761 /nfs/dbraw/zinc/60/87/61/1197608761.db2.gz PAIMIYNYFPKUAQ-UHFFFAOYSA-N 0 3 321.424 3.087 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001672885015 1197626519 /nfs/dbraw/zinc/62/65/19/1197626519.db2.gz HTWOSTSPCAIICU-HNNXBMFYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC001672911378 1197628032 /nfs/dbraw/zinc/62/80/32/1197628032.db2.gz STYRYWXSTPQKHD-OAHLLOKOSA-N 0 3 323.868 3.263 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCC(F)F)cc1 ZINC001672944292 1197630512 /nfs/dbraw/zinc/63/05/12/1197630512.db2.gz ZIJOWUDBFAMNRA-ZDUSSCGKSA-N 0 3 308.372 3.022 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001673201959 1197643209 /nfs/dbraw/zinc/64/32/09/1197643209.db2.gz POTBUOIVGVPHBG-UHFFFAOYSA-N 0 3 304.459 3.070 20 30 DGEDHN C=C[C@H](C(=O)NCC1(NC/C=C/Cl)CCC1)c1ccccc1 ZINC001673238704 1197646373 /nfs/dbraw/zinc/64/63/73/1197646373.db2.gz YKTOIXTVVJZKTP-MZTACXPWSA-N 0 3 318.848 3.337 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001673397041 1197656745 /nfs/dbraw/zinc/65/67/45/1197656745.db2.gz MXCSGVPHLASHFU-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001673478480 1197666095 /nfs/dbraw/zinc/66/60/95/1197666095.db2.gz JRRYILRKGSMPPX-SJORKVTESA-N 0 3 306.494 3.252 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001673478477 1197666210 /nfs/dbraw/zinc/66/62/10/1197666210.db2.gz JRRYILRKGSMPPX-DLBZAZTESA-N 0 3 306.494 3.252 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC ZINC001673632959 1197681469 /nfs/dbraw/zinc/68/14/69/1197681469.db2.gz BEIUNFMWEHRSTL-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CSCCC)cc2C1 ZINC001673761525 1197690857 /nfs/dbraw/zinc/69/08/57/1197690857.db2.gz XKRUTGBYMSNUFV-UHFFFAOYSA-N 0 3 318.486 3.338 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)Cc3ccco3)cc2C1 ZINC001673769609 1197691989 /nfs/dbraw/zinc/69/19/89/1197691989.db2.gz NRGCPHDXSKJFAA-UHFFFAOYSA-N 0 3 324.424 3.420 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CCCCC1 ZINC001674415703 1197770490 /nfs/dbraw/zinc/77/04/90/1197770490.db2.gz DSMXKWBFOYVQTM-TZIWHRDSSA-N 0 3 324.468 3.352 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001674474438 1197781572 /nfs/dbraw/zinc/78/15/72/1197781572.db2.gz BODKTONDZLQJTL-HKUYNNGSSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001674475575 1197782730 /nfs/dbraw/zinc/78/27/30/1197782730.db2.gz OTYWDNMQMIYBDI-OAHLLOKOSA-N 0 3 315.392 3.029 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001674486834 1197784616 /nfs/dbraw/zinc/78/46/16/1197784616.db2.gz PKDWNSOGZLFHSQ-GBESFXJTSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001674710448 1197842095 /nfs/dbraw/zinc/84/20/95/1197842095.db2.gz QIDGRMGLFKTQHI-QWRGUYRKSA-N 0 3 307.265 3.391 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001674728663 1197850817 /nfs/dbraw/zinc/85/08/17/1197850817.db2.gz IDUWDUVFPVHBQA-ROUUACIJSA-N 0 3 314.473 3.347 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2cccc(Cl)n2)C1 ZINC001674729886 1197851842 /nfs/dbraw/zinc/85/18/42/1197851842.db2.gz XBGKIZGPHQDSDO-CHWSQXEVSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC1CC(c2ccccc2)C1 ZINC001674952938 1197933012 /nfs/dbraw/zinc/93/30/12/1197933012.db2.gz AYFPQQCYMZLKFD-HJOIGYKYSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CCCC)CNCc2ccccn2)C1 ZINC001675228288 1198012182 /nfs/dbraw/zinc/01/21/82/1198012182.db2.gz MVDLGXRRDLNXBG-KRWDZBQOSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001675284529 1198035418 /nfs/dbraw/zinc/03/54/18/1198035418.db2.gz DLCISKAPPDXPFK-JKSUJKDBSA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001675284526 1198035804 /nfs/dbraw/zinc/03/58/04/1198035804.db2.gz DLCISKAPPDXPFK-CVEARBPZSA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001675285418 1198038197 /nfs/dbraw/zinc/03/81/97/1198038197.db2.gz JXVPWEIHZYICLC-MRXNPFEDSA-N 0 3 300.446 3.206 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)C(F)(F)F)C(C)(C)C1 ZINC001675481010 1198077472 /nfs/dbraw/zinc/07/74/72/1198077472.db2.gz VBYNYKNVBQVKRK-LBPRGKRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(F)c(C)c1 ZINC001675959164 1198180460 /nfs/dbraw/zinc/18/04/60/1198180460.db2.gz SUTGHJCFMHGKHR-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1ccc(CCCC)cc1 ZINC001676382340 1198306572 /nfs/dbraw/zinc/30/65/72/1198306572.db2.gz UVMZEVSCALQZNY-QGZVFWFLSA-N 0 3 314.473 3.032 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001676461197 1198326886 /nfs/dbraw/zinc/32/68/86/1198326886.db2.gz GEZUJLNMZSUGID-HNNXBMFYSA-N 0 3 312.413 3.123 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001676651251 1198358313 /nfs/dbraw/zinc/35/83/13/1198358313.db2.gz VRCOGHCKDGTTSO-NEPJUHHUSA-N 0 3 319.276 3.487 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc(C)ccc2F)C[C@H]1C ZINC001676715871 1198371524 /nfs/dbraw/zinc/37/15/24/1198371524.db2.gz OCNICFBINVGFCK-ZBFHGGJFSA-N 0 3 304.409 3.179 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001676735565 1198376286 /nfs/dbraw/zinc/37/62/86/1198376286.db2.gz MOFJDIVHXLNNRK-SWLSCSKDSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3ccc(C)cc3)CCC[C@H]12 ZINC001676810671 1198397614 /nfs/dbraw/zinc/39/76/14/1198397614.db2.gz VWHIMALYRFZFHT-FPOVZHCZSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCCC(=O)N[C@@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001676816874 1198399140 /nfs/dbraw/zinc/39/91/40/1198399140.db2.gz UYLQHUGYFFYKKE-DZGCQCFKSA-N 0 3 318.383 3.408 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001676867804 1198415000 /nfs/dbraw/zinc/41/50/00/1198415000.db2.gz UWOHWZIAIXDPEY-HKUYNNGSSA-N 0 3 312.457 3.349 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1CCC(C)(C)CO1)C(C)C ZINC001677205202 1198486952 /nfs/dbraw/zinc/48/69/52/1198486952.db2.gz OCWTWMVJMDBWRV-KRWDZBQOSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(C)c2c1CCC2)C(C)C ZINC001677219151 1198493183 /nfs/dbraw/zinc/49/31/83/1198493183.db2.gz NCUPGEYIYURSEC-UHFFFAOYSA-N 0 3 314.473 3.452 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CCN(Cc2ncccc2C)CC1 ZINC001677328520 1198516242 /nfs/dbraw/zinc/51/62/42/1198516242.db2.gz UAGZUBPYEDPBFR-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)CCCCCC)CC1 ZINC001677341880 1198518999 /nfs/dbraw/zinc/51/89/99/1198518999.db2.gz FTEDIUFUJQFJQZ-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccccc2F)C1 ZINC001677444746 1198536708 /nfs/dbraw/zinc/53/67/08/1198536708.db2.gz DETWGHKIYXNNHZ-UHFFFAOYSA-N 0 3 324.827 3.090 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2CCC3(CC3)CC2)CC1 ZINC001678668271 1198714780 /nfs/dbraw/zinc/71/47/80/1198714780.db2.gz MMGJYAGIOZCQLI-UHFFFAOYSA-N 0 3 319.493 3.297 20 30 DGEDHN CC(C)N(CCCNC(=O)C(C)(C)C)Cc1ccc(C#N)s1 ZINC001691759945 1199108504 /nfs/dbraw/zinc/10/85/04/1199108504.db2.gz DALXGAUPXSSFAE-UHFFFAOYSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001682087009 1199128017 /nfs/dbraw/zinc/12/80/17/1199128017.db2.gz KLPZVSPUDGBXOY-ZWKOTPCHSA-N 0 3 315.461 3.223 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001682423001 1199159436 /nfs/dbraw/zinc/15/94/36/1199159436.db2.gz IHWDIPVBMDYEDS-OAHLLOKOSA-N 0 3 323.868 3.454 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001684620202 1199400819 /nfs/dbraw/zinc/40/08/19/1199400819.db2.gz UOIXQDSDGJBRBX-SFHVURJKSA-N 0 3 315.461 3.479 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000301678857 1199453363 /nfs/dbraw/zinc/45/33/63/1199453363.db2.gz KCOABQAIBNJFOE-QGZVFWFLSA-N 0 3 323.352 3.120 20 30 DGEDHN N#CCOc1cccc(CNCc2c[nH]nc2-c2cccs2)c1 ZINC000113347092 1199667117 /nfs/dbraw/zinc/66/71/17/1199667117.db2.gz ISYOJALTNAYBFR-UHFFFAOYSA-N 0 3 324.409 3.330 20 30 DGEDHN N#CCOc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000113347213 1199667429 /nfs/dbraw/zinc/66/74/29/1199667429.db2.gz NMNHJVYXFWYTJM-UHFFFAOYSA-N 0 3 306.365 3.155 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1occc1Cl ZINC001688886738 1199943035 /nfs/dbraw/zinc/94/30/35/1199943035.db2.gz WDECTNSMBZVGIZ-QWHCGFSZSA-N 0 3 310.825 3.434 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001688891180 1199945011 /nfs/dbraw/zinc/94/50/11/1199945011.db2.gz KUMFDJWRNSYNFR-BZSNNMDCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001688894537 1199947726 /nfs/dbraw/zinc/94/77/26/1199947726.db2.gz ZVUPOMUUNHGJEI-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(F)c(C)c1)C(C)C ZINC001753839267 1199989128 /nfs/dbraw/zinc/98/91/28/1199989128.db2.gz VXDYBLFPXGOKTG-HNNXBMFYSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)Cc1ccccc1)C(C)C ZINC001753843618 1199992546 /nfs/dbraw/zinc/99/25/46/1199992546.db2.gz SPDWAIHTHNUXJD-RHSMWYFYSA-N 0 3 322.880 3.348 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C(C)(C)F ZINC001689039537 1200002902 /nfs/dbraw/zinc/00/29/02/1200002902.db2.gz YRUIFUXFMKVLJB-YPMHNXCESA-N 0 3 304.837 3.094 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccccc1-c1ccccc1 ZINC001753868194 1200020758 /nfs/dbraw/zinc/02/07/58/1200020758.db2.gz WYMVNRWTXZFZHF-UHFFFAOYSA-N 0 3 320.436 3.381 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)C1CCCC1 ZINC001753972624 1200054893 /nfs/dbraw/zinc/05/48/93/1200054893.db2.gz YXGHJWIKGPVZFY-ZDUSSCGKSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C/C=C/c1ccc(F)cc1 ZINC001753976434 1200056582 /nfs/dbraw/zinc/05/65/82/1200056582.db2.gz ZPKSPTFRQYMIAZ-RDFMZFSFSA-N 0 3 324.827 3.466 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CC1(c2ccccc2)CC1 ZINC001753985833 1200058955 /nfs/dbraw/zinc/05/89/55/1200058955.db2.gz YJPMYGYGADWIKT-HNNXBMFYSA-N 0 3 320.864 3.345 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)[C@H]1CC ZINC001689199973 1200059070 /nfs/dbraw/zinc/05/90/70/1200059070.db2.gz PDYMLPJPLBWVST-FGTMMUONSA-N 0 3 318.436 3.474 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001753996219 1200062422 /nfs/dbraw/zinc/06/24/22/1200062422.db2.gz BFSQHYSAWXJQHM-HNAYVOBHSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001754003096 1200066661 /nfs/dbraw/zinc/06/66/61/1200066661.db2.gz AIFLYOBRHQDRJZ-YOEHRIQHSA-N 0 3 320.864 3.028 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2 ZINC001754019528 1200074100 /nfs/dbraw/zinc/07/41/00/1200074100.db2.gz COTTVVYAMJWCQK-CQSZACIVSA-N 0 3 320.864 3.416 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)[C@@H]1C ZINC001689289460 1200085147 /nfs/dbraw/zinc/08/51/47/1200085147.db2.gz RLLJXKFQOCQZOF-APWZRJJASA-N 0 3 312.457 3.132 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001754065422 1200091753 /nfs/dbraw/zinc/09/17/53/1200091753.db2.gz FARQWFAFUMYMQE-IBGZPJMESA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2C)[C@H]1C ZINC001689321664 1200093670 /nfs/dbraw/zinc/09/36/70/1200093670.db2.gz PGHVVDLZDMSMRI-JZXOWHBKSA-N 0 3 300.446 3.254 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1cccc(Cl)c1 ZINC001754126371 1200110480 /nfs/dbraw/zinc/11/04/80/1200110480.db2.gz BNSWVXXGMAJRBO-ONEGZZNKSA-N 0 3 306.837 3.458 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001754322870 1200210648 /nfs/dbraw/zinc/21/06/48/1200210648.db2.gz KFWYHIAAMOUQLF-KDOFPFPSSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC001754342662 1200235094 /nfs/dbraw/zinc/23/50/94/1200235094.db2.gz IKCFHMMVRJGVNM-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001754487206 1200296881 /nfs/dbraw/zinc/29/68/81/1200296881.db2.gz DWBRJFQMZCGPQH-OWCLPIDISA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001754488683 1200299674 /nfs/dbraw/zinc/29/96/74/1200299674.db2.gz IPKBWNKZYWRFTI-HNNXBMFYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001754488960 1200300220 /nfs/dbraw/zinc/30/02/20/1200300220.db2.gz NKHDWRHHGLJSPW-RHSMWYFYSA-N 0 3 313.445 3.118 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001754503947 1200319735 /nfs/dbraw/zinc/31/97/35/1200319735.db2.gz CRLISRUANNWJLD-INIZCTEOSA-N 0 3 300.446 3.039 20 30 DGEDHN CC(C)=CC(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001689897522 1200320373 /nfs/dbraw/zinc/32/03/73/1200320373.db2.gz ZKRYWSHAOQKIKU-UYAOXDASSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001690040152 1200380394 /nfs/dbraw/zinc/38/03/94/1200380394.db2.gz JXRCUCZQIRJEGW-LIXSYLKWSA-N 0 3 312.457 3.332 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001690099312 1200400261 /nfs/dbraw/zinc/40/02/61/1200400261.db2.gz QJSSMXZUYXIPAQ-QGZVFWFLSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN(C(=O)c1ccc(CCC)cc1)C1CCN(CC=C)CC1 ZINC001754640481 1200409385 /nfs/dbraw/zinc/40/93/85/1200409385.db2.gz SVHSJTGQCGWMIE-UHFFFAOYSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1(CC)CC1)c1ccc2ccccc2c1 ZINC001754644193 1200411366 /nfs/dbraw/zinc/41/13/66/1200411366.db2.gz QDXJBAXEXFOAHH-IBGZPJMESA-N 0 3 320.436 3.410 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@H](C)C1CC1)c1ccc2ccccc2c1 ZINC001754644279 1200411473 /nfs/dbraw/zinc/41/14/73/1200411473.db2.gz RTWDAYYRUADEPB-FOIQADDNSA-N 0 3 320.436 3.266 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2occc2Cl)CC1 ZINC001690136164 1200415286 /nfs/dbraw/zinc/41/52/86/1200415286.db2.gz HJFYGDGOHZRLMH-UHFFFAOYSA-N 0 3 322.836 3.273 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1cccc(Cl)n1)C1CC1 ZINC001690153573 1200423594 /nfs/dbraw/zinc/42/35/94/1200423594.db2.gz PQIIOCHMOHKTCW-HNNXBMFYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001690166389 1200428758 /nfs/dbraw/zinc/42/87/58/1200428758.db2.gz CYDAKILKDKUXGF-CTNGQTDRSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(CCOc2ccccc2)C1 ZINC001754674231 1200436615 /nfs/dbraw/zinc/43/66/15/1200436615.db2.gz PYDBSSVOYKGZBN-IBGZPJMESA-N 0 3 316.445 3.002 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001754681894 1200441443 /nfs/dbraw/zinc/44/14/43/1200441443.db2.gz GPPSIAZCHWRJQA-DYVFJYSZSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCC)OCC ZINC001690209784 1200455641 /nfs/dbraw/zinc/45/56/41/1200455641.db2.gz LIPYVORKVNBPNF-ZJPYXAASSA-N 0 3 322.493 3.222 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001754731109 1200475361 /nfs/dbraw/zinc/47/53/61/1200475361.db2.gz PAXFGKNMEQNFFB-HKUYNNGSSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC1(C(=O)NC[C@@]2(C)CCCN(CC#CC)C2)CCCC1 ZINC001754733320 1200480182 /nfs/dbraw/zinc/48/01/82/1200480182.db2.gz BGSNEHSEXXLFLW-LJQANCHMSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C#CC(C)C)c1ccccc1CC ZINC001754785881 1200487507 /nfs/dbraw/zinc/48/75/07/1200487507.db2.gz RHGXFSOHARPLAJ-LJQANCHMSA-N 0 3 312.457 3.231 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1CC ZINC001754786041 1200489559 /nfs/dbraw/zinc/48/95/59/1200489559.db2.gz SXYNWEMKWZECJE-PXNSSMCTSA-N 0 3 324.468 3.376 20 30 DGEDHN C#CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001690306567 1200490691 /nfs/dbraw/zinc/49/06/91/1200490691.db2.gz ZKATVLWMZBSBQD-XYTVBORESA-N 0 3 308.441 3.040 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2csc(C)n2)C1 ZINC001754796182 1200493741 /nfs/dbraw/zinc/49/37/41/1200493741.db2.gz YMKIVXYUOKAZKP-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC/C=C/c1ccccc1 ZINC001754871071 1200528166 /nfs/dbraw/zinc/52/81/66/1200528166.db2.gz YIUVWIFTRSVAII-CHUTXNTCSA-N 0 3 322.452 3.179 20 30 DGEDHN C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccccc1[O-] ZINC001754944096 1200547174 /nfs/dbraw/zinc/54/71/74/1200547174.db2.gz SNGKWUDRPGDQBV-UHFFFAOYSA-N 0 3 324.424 3.330 20 30 DGEDHN C=CCC[N@H+](C)Cc1ccccc1CNC(=O)c1ccccc1[O-] ZINC001754944096 1200547178 /nfs/dbraw/zinc/54/71/78/1200547178.db2.gz SNGKWUDRPGDQBV-UHFFFAOYSA-N 0 3 324.424 3.330 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C3(CC(C)C)CCCC3)C2)CC1 ZINC001754960910 1200559342 /nfs/dbraw/zinc/55/93/42/1200559342.db2.gz AWKIZPRNYVZWFY-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CC3CCC3)cccc2C1 ZINC001754974479 1200563036 /nfs/dbraw/zinc/56/30/36/1200563036.db2.gz OKUQMIDENXXCGB-UHFFFAOYSA-N 0 3 312.457 3.427 20 30 DGEDHN C#CCNC1(CNC(=O)CCc2ccc(C(C)C)cc2)CCC1 ZINC001754983929 1200569739 /nfs/dbraw/zinc/56/97/39/1200569739.db2.gz OITHBKUIYWZLQV-UHFFFAOYSA-N 0 3 312.457 3.004 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2cc3ccccc3o2)CCC1 ZINC001754990653 1200575612 /nfs/dbraw/zinc/57/56/12/1200575612.db2.gz SSPYYHQPWLCNQT-HNNXBMFYSA-N 0 3 324.424 3.188 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001755030842 1200594607 /nfs/dbraw/zinc/59/46/07/1200594607.db2.gz ITACKBNWBVIJJY-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)CC1CC1 ZINC001755074369 1200627973 /nfs/dbraw/zinc/62/79/73/1200627973.db2.gz WYTSGFLAUWOIDW-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001755076097 1200629641 /nfs/dbraw/zinc/62/96/41/1200629641.db2.gz TXPYWJZWNAYLJN-IBGZPJMESA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001755105975 1200638741 /nfs/dbraw/zinc/63/87/41/1200638741.db2.gz WRWAPCNOTXAEEY-WBMJQRKESA-N 0 3 324.827 3.382 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N[C@H](C)c2ccccc2F)cc1 ZINC001690610259 1200646470 /nfs/dbraw/zinc/64/64/70/1200646470.db2.gz JVBAFFMJPBVMGC-HUUCEWRRSA-N 0 3 324.399 3.276 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001690616237 1200649943 /nfs/dbraw/zinc/64/99/43/1200649943.db2.gz FKYFADPMBVJJIS-SJKOYZFVSA-N 0 3 322.399 3.403 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001690616235 1200650597 /nfs/dbraw/zinc/65/05/97/1200650597.db2.gz FKYFADPMBVJJIS-PXAZEXFGSA-N 0 3 322.399 3.403 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001755138196 1200655456 /nfs/dbraw/zinc/65/54/56/1200655456.db2.gz ZGZSRGMUUNDKKB-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001755144299 1200662652 /nfs/dbraw/zinc/66/26/52/1200662652.db2.gz ZXLCLSMJKZYHBO-AEFFLSMTSA-N 0 3 314.473 3.268 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC2(C)CCCCC2)C[C@H]1C ZINC001755162537 1200667888 /nfs/dbraw/zinc/66/78/88/1200667888.db2.gz WGFPXDWSBGAJKE-SJORKVTESA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2ccccc2)C[C@H]1C ZINC001755163012 1200668575 /nfs/dbraw/zinc/66/85/75/1200668575.db2.gz CBBBURCCKAKTEV-MJGOQNOKSA-N 0 3 312.457 3.002 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC2(C)CCCCC2)C[C@H]1C ZINC001755162535 1200668995 /nfs/dbraw/zinc/66/89/95/1200668995.db2.gz WGFPXDWSBGAJKE-IAGOWNOFSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)C1CC1 ZINC001755187709 1200685229 /nfs/dbraw/zinc/68/52/29/1200685229.db2.gz NOBOSBIILWIDID-BOUXLOLZSA-N 0 3 312.457 3.371 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC001755191741 1200689876 /nfs/dbraw/zinc/68/98/76/1200689876.db2.gz RGNQHUPMBRYRTM-SFHVURJKSA-N 0 3 316.420 3.052 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccc(C)cc1 ZINC001755194649 1200692808 /nfs/dbraw/zinc/69/28/08/1200692808.db2.gz XFNQAANDUCOMBY-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001755247905 1200731652 /nfs/dbraw/zinc/73/16/52/1200731652.db2.gz FRGGNOBYTLSMHY-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001755247906 1200731909 /nfs/dbraw/zinc/73/19/09/1200731909.db2.gz FRGGNOBYTLSMHY-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001755250155 1200735496 /nfs/dbraw/zinc/73/54/96/1200735496.db2.gz VHPWXXIWNRPDAS-PGSVNHOBSA-N 0 3 310.441 3.043 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2ncccc2c1 ZINC001690860795 1200754539 /nfs/dbraw/zinc/75/45/39/1200754539.db2.gz IHFVYNKEBLMWJI-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)CCc1ccccc1F ZINC001755303212 1200783407 /nfs/dbraw/zinc/78/34/07/1200783407.db2.gz MAWJOWFUSPNDSZ-OAHLLOKOSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001690945415 1200802020 /nfs/dbraw/zinc/80/20/20/1200802020.db2.gz VIHWWHBGAHERSU-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CCc1cccnc1)c1ccccc1 ZINC001691787174 1200807848 /nfs/dbraw/zinc/80/78/48/1200807848.db2.gz KBTYJDKBCHVGCL-LJQANCHMSA-N 0 3 323.440 3.037 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)cc1C)c1ccccc1 ZINC001691801932 1200814490 /nfs/dbraw/zinc/81/44/90/1200814490.db2.gz YGKICDURLLRJDE-HXUWFJFHSA-N 0 3 320.436 3.387 20 30 DGEDHN C#CCCCCC(=O)N(CCC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001691849597 1200837206 /nfs/dbraw/zinc/83/72/06/1200837206.db2.gz SAYDCEPLYJJFFP-GOSISDBHSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001691867573 1200846880 /nfs/dbraw/zinc/84/68/80/1200846880.db2.gz WWSHOKZTBTVCEC-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCCC(=O)NCC[C@H]1CCN(Cc2cnc(C)s2)C1 ZINC001691904811 1200866406 /nfs/dbraw/zinc/86/64/06/1200866406.db2.gz JDEJVABVLITQRR-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001755384288 1200868149 /nfs/dbraw/zinc/86/81/49/1200868149.db2.gz OAOOZVVEFHTXDJ-HNNXBMFYSA-N 0 3 300.446 3.144 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001755384283 1200869017 /nfs/dbraw/zinc/86/90/17/1200869017.db2.gz NWUURENSIPTQBO-SJORKVTESA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@H](C)C1CN(CC)C1)c1ccccc1 ZINC001755391867 1200874102 /nfs/dbraw/zinc/87/41/02/1200874102.db2.gz LPXPYKNGBPMGGO-CRAIPNDOSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001755410979 1200886583 /nfs/dbraw/zinc/88/65/83/1200886583.db2.gz DHTPTLOXSWEPLZ-IAGOWNOFSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755415225 1200891100 /nfs/dbraw/zinc/89/11/00/1200891100.db2.gz GJQPPYVGLJCTFG-WMLDXEAASA-N 0 3 318.436 3.332 20 30 DGEDHN CCC(=O)N1CCC[C@@H](C)[C@H]1CCNCc1ccccc1C#N ZINC001691981533 1200896024 /nfs/dbraw/zinc/89/60/24/1200896024.db2.gz CEOUHEGMNKKNHP-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNCc1cnoc1C ZINC001691987840 1200898821 /nfs/dbraw/zinc/89/88/21/1200898821.db2.gz RWGBOBDFTNUUDJ-RHSMWYFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001755480374 1200913387 /nfs/dbraw/zinc/91/33/87/1200913387.db2.gz UDUWYIAQXXCZHL-DZKIICNBSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@H](C)C(F)(F)F ZINC001755512853 1200927487 /nfs/dbraw/zinc/92/74/87/1200927487.db2.gz XAFCIYKBUCARNO-GXSJLCMTSA-N 0 3 314.779 3.202 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001692095983 1200928132 /nfs/dbraw/zinc/92/81/32/1200928132.db2.gz OKDMKZNJQTYEMX-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001692104596 1200929618 /nfs/dbraw/zinc/92/96/18/1200929618.db2.gz VCJFESCKRVRZRQ-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001692123363 1200938762 /nfs/dbraw/zinc/93/87/62/1200938762.db2.gz GLUVZPMRRYSODO-KRWDZBQOSA-N 0 3 321.440 3.385 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@H](NCc2cncs2)C1 ZINC001692124035 1200939604 /nfs/dbraw/zinc/93/96/04/1200939604.db2.gz ICDLQMHUUJRWOD-HNNXBMFYSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCc2cncs2)C1 ZINC001692124036 1200939981 /nfs/dbraw/zinc/93/99/81/1200939981.db2.gz ICDLQMHUUJRWOD-OAHLLOKOSA-N 0 3 321.490 3.360 20 30 DGEDHN C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C ZINC001755537437 1200943485 /nfs/dbraw/zinc/94/34/85/1200943485.db2.gz QLKXYTUJKXQVPC-WMLDXEAASA-N 0 3 320.864 3.403 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001755685128 1201013885 /nfs/dbraw/zinc/01/38/85/1201013885.db2.gz UGUGWLNEKNGDBN-GJZGRUSLSA-N 0 3 318.848 3.173 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCC2CCOCC2)[C@H]1C ZINC001755718819 1201040242 /nfs/dbraw/zinc/04/02/42/1201040242.db2.gz PSVOVUROEKRCCX-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)c1ccccc1 ZINC001692384652 1201046430 /nfs/dbraw/zinc/04/64/30/1201046430.db2.gz VDNOCCMRRDLURJ-HOJAQTOUSA-N 0 3 324.468 3.432 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccccc1 ZINC001692384464 1201046527 /nfs/dbraw/zinc/04/65/27/1201046527.db2.gz NNRFHSUNZXYXEW-WDSOQIARSA-N 0 3 312.457 3.117 20 30 DGEDHN CCc1cccc(CN2CCC[C@@H](NC(=O)C#CC3CC3)[C@@H]2C)c1 ZINC001755731736 1201051381 /nfs/dbraw/zinc/05/13/81/1201051381.db2.gz POWLJVGWUMPPAH-OXJNMPFZSA-N 0 3 324.468 3.132 20 30 DGEDHN CC1(C(=O)N2C[C@@H](NCC#Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001755773205 1201067697 /nfs/dbraw/zinc/06/76/97/1201067697.db2.gz HPOWWYGLZUTDQT-GOSISDBHSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCc2ccccc21)C(C)C ZINC001755811760 1201074163 /nfs/dbraw/zinc/07/41/63/1201074163.db2.gz GMWVUKQVPVKDGM-IBGZPJMESA-N 0 3 314.473 3.461 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001755825826 1201089816 /nfs/dbraw/zinc/08/98/16/1201089816.db2.gz XADAKTBRRKMPIF-MRXNPFEDSA-N 0 3 303.450 3.058 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCCCC(C)C)CC1 ZINC001755846379 1201104166 /nfs/dbraw/zinc/10/41/66/1201104166.db2.gz XEWONSDQGHVHPN-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001755848152 1201104360 /nfs/dbraw/zinc/10/43/60/1201104360.db2.gz DUAGOSZWFKFMBM-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CCc3ccccc3)CC2)CC1 ZINC001755870019 1201117518 /nfs/dbraw/zinc/11/75/18/1201117518.db2.gz UUODVLXLTUQEDM-UHFFFAOYSA-N 0 3 324.468 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@@H](C)c2cccc(C)c2)C1 ZINC001698547194 1201215768 /nfs/dbraw/zinc/21/57/68/1201215768.db2.gz VLIKAJSZJMOYPP-RDJZCZTQSA-N 0 3 300.446 3.459 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2)C1 ZINC001698565913 1201234940 /nfs/dbraw/zinc/23/49/40/1201234940.db2.gz IPGWLXGKOCLJRU-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN CC[C@H](CNC(=O)CC1CCCC1)NCc1ccc(C#N)s1 ZINC001698592303 1201266599 /nfs/dbraw/zinc/26/65/99/1201266599.db2.gz YITMQWODMQRSPA-CQSZACIVSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1ccc(F)c(F)c1 ZINC001698608285 1201277961 /nfs/dbraw/zinc/27/79/61/1201277961.db2.gz IAIHQMYOTMBAHX-CYBMUJFWSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H](CC)NCc1ccccn1)c1ccccc1 ZINC001698619071 1201290361 /nfs/dbraw/zinc/29/03/61/1201290361.db2.gz MMLPUEKCDYPIQI-PKOBYXMFSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2cccc(C)c2)CCCC1 ZINC001698633087 1201299877 /nfs/dbraw/zinc/29/98/77/1201299877.db2.gz CNNBHDSVSKKAID-UHFFFAOYSA-N 0 3 320.864 3.309 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccoc2)CCCC[C@@H]1C ZINC001698657259 1201322442 /nfs/dbraw/zinc/32/24/42/1201322442.db2.gz PUWVXIPMOYHKEQ-BLLLJJGKSA-N 0 3 310.825 3.300 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@H](C)SC)C1 ZINC001698685993 1201333818 /nfs/dbraw/zinc/33/38/18/1201333818.db2.gz FIUHGWHVNRDGLS-UONOGXRCSA-N 0 3 318.914 3.099 20 30 DGEDHN C=CCCC(=O)N1CCC(CCNC/C(Cl)=C/Cl)CC1 ZINC001698691253 1201334943 /nfs/dbraw/zinc/33/49/43/1201334943.db2.gz BENBJEPFNIGQSX-KAMYIIQDSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(Cl)c[nH]2)CCCC1 ZINC001698793267 1201420900 /nfs/dbraw/zinc/42/09/00/1201420900.db2.gz FBZFJRJZUKOTHH-UHFFFAOYSA-N 0 3 316.232 3.053 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCCC1 ZINC001698796698 1201425945 /nfs/dbraw/zinc/42/59/45/1201425945.db2.gz ZKXGEZPAPZXFDA-FICVDOATSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2Cc3ccccc32)CCCC1 ZINC001698801615 1201431382 /nfs/dbraw/zinc/43/13/82/1201431382.db2.gz WFEOASQRSQHAJE-MRXNPFEDSA-N 0 3 318.848 3.097 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001698853305 1201509121 /nfs/dbraw/zinc/50/91/21/1201509121.db2.gz XMVJLQXMROCXDK-IEBWSBKVSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](C)c1ccco1 ZINC001698918893 1201574869 /nfs/dbraw/zinc/57/48/69/1201574869.db2.gz SVOTYXITFIJYEQ-HUUCEWRRSA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1c(F)cccc1F)C(C)C ZINC001698979481 1201636102 /nfs/dbraw/zinc/63/61/02/1201636102.db2.gz PSIHZUAHEWWCOS-CYBMUJFWSA-N 0 3 316.779 3.061 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH]ccc21 ZINC001750931455 1201727586 /nfs/dbraw/zinc/72/75/86/1201727586.db2.gz DIPLPIUKOZFOIK-HNNXBMFYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2ccn(C)c2c1 ZINC001699150414 1201729441 /nfs/dbraw/zinc/72/94/41/1201729441.db2.gz QHFYKWVZIKOWMV-ZDUSSCGKSA-N 0 3 319.836 3.029 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001750946170 1201735473 /nfs/dbraw/zinc/73/54/73/1201735473.db2.gz BYDQRNOBADTAEJ-BOSPYUDASA-N 0 3 310.869 3.005 20 30 DGEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1ccc(F)c(F)c1 ZINC001699196504 1201748850 /nfs/dbraw/zinc/74/88/50/1201748850.db2.gz AWZDKENFBBMFKI-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001699261405 1201772835 /nfs/dbraw/zinc/77/28/35/1201772835.db2.gz HEDYXJOKSWMWDY-WAYWQWQTSA-N 0 3 313.445 3.002 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccccc1-c1ccccc1 ZINC001752107879 1201778651 /nfs/dbraw/zinc/77/86/51/1201778651.db2.gz AOEGISCSALACDW-UHFFFAOYSA-N 0 3 306.409 3.039 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001752435090 1201837706 /nfs/dbraw/zinc/83/77/06/1201837706.db2.gz MPDQLHXOANFXSI-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001752435089 1201837792 /nfs/dbraw/zinc/83/77/92/1201837792.db2.gz MPDQLHXOANFXSI-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001752593964 1201875338 /nfs/dbraw/zinc/87/53/38/1201875338.db2.gz RVRBMRRDHNNJMU-INIZCTEOSA-N 0 3 304.409 3.119 20 30 DGEDHN C[C@H]1CCC[C@]1(C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001752766562 1201909917 /nfs/dbraw/zinc/90/99/17/1201909917.db2.gz SBZWLVUQHRLFPB-ROPHOZQPSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001752784484 1201921766 /nfs/dbraw/zinc/92/17/66/1201921766.db2.gz CTSXBEWMAVSJCL-ZDUSSCGKSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccsc1C ZINC001752822593 1201948730 /nfs/dbraw/zinc/94/87/30/1201948730.db2.gz KMXKRVXPQWCFQG-MRXNPFEDSA-N 0 3 306.475 3.146 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001752834618 1201961907 /nfs/dbraw/zinc/96/19/07/1201961907.db2.gz VNMOVUBTTIWQBI-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001699633838 1201998382 /nfs/dbraw/zinc/99/83/82/1201998382.db2.gz IMEHLGGXWPPKCM-KRWDZBQOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001699637430 1202002824 /nfs/dbraw/zinc/00/28/24/1202002824.db2.gz GCTLFSOQIYACRO-DZGCQCFKSA-N 0 3 319.449 3.094 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(F)F ZINC001699683268 1202030974 /nfs/dbraw/zinc/03/09/74/1202030974.db2.gz AJLHVJZZLPQOFG-KFWWJZLASA-N 0 3 314.420 3.309 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001752991060 1202040991 /nfs/dbraw/zinc/04/09/91/1202040991.db2.gz MBYYXEKCKZENHU-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CC[C@@H](C)c3ccccc3)C2)C1 ZINC001699706240 1202044483 /nfs/dbraw/zinc/04/44/83/1202044483.db2.gz OZWPGYUYGZWKKP-WIYYLYMNSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ncc(C)s2)C[C@H]1C ZINC001699740762 1202062100 /nfs/dbraw/zinc/06/21/00/1202062100.db2.gz ZETRVKCZOZHRIT-HIFRSBDPSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001753019893 1202064070 /nfs/dbraw/zinc/06/40/70/1202064070.db2.gz STHGSEWDRNNWKQ-CYBMUJFWSA-N 0 3 312.816 3.293 20 30 DGEDHN C#CCN(C(=O)[C@H](CC)CC(C)C)C1CCN(CC=C)CC1 ZINC001699785730 1202077611 /nfs/dbraw/zinc/07/76/11/1202077611.db2.gz YRRWNAXGGYMMIA-QGZVFWFLSA-N 0 3 304.478 3.171 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001753058563 1202088399 /nfs/dbraw/zinc/08/83/99/1202088399.db2.gz VNFSTUIIVKRVQK-UHFFFAOYSA-N 0 3 308.853 3.205 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001753061261 1202090760 /nfs/dbraw/zinc/09/07/60/1202090760.db2.gz DPUGXMZXJQHKQE-KRWDZBQOSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001753064828 1202094615 /nfs/dbraw/zinc/09/46/15/1202094615.db2.gz YEHCDERWXDXERN-QZTJIDSGSA-N 0 3 300.446 3.194 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CCC(C)(C)c1ccccc1 ZINC001753074773 1202104224 /nfs/dbraw/zinc/10/42/24/1202104224.db2.gz GDNUYKMIXRFOJN-UHFFFAOYSA-N 0 3 302.462 3.369 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@H](C)c1ccc(F)c(F)c1 ZINC001753081270 1202112514 /nfs/dbraw/zinc/11/25/14/1202112514.db2.gz ZZTJFXHBWKFKBM-CQSZACIVSA-N 0 3 322.399 3.267 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001753092695 1202123212 /nfs/dbraw/zinc/12/32/12/1202123212.db2.gz IJQMEJLPCRUOMG-UHFFFAOYSA-N 0 3 300.402 3.287 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001699877286 1202133588 /nfs/dbraw/zinc/13/35/88/1202133588.db2.gz UXRFOCSJXQNKCV-DZGCQCFKSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)SC)c1ccccc1CC ZINC001699933045 1202140609 /nfs/dbraw/zinc/14/06/09/1202140609.db2.gz KNXWOBYVZGGQJE-WMLDXEAASA-N 0 3 320.502 3.324 20 30 DGEDHN CCCCCCCN1CCC[C@H]1CNC(=O)c1nccs1 ZINC001753113443 1202143494 /nfs/dbraw/zinc/14/34/94/1202143494.db2.gz KBOMKTQYNILZKN-AWEZNQCLSA-N 0 3 309.479 3.308 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001753118442 1202147622 /nfs/dbraw/zinc/14/76/22/1202147622.db2.gz IFBBYODRXGOVTP-QZTJIDSGSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001753131860 1202153570 /nfs/dbraw/zinc/15/35/70/1202153570.db2.gz DXPDJYUEJLYCQP-HNNXBMFYSA-N 0 3 318.436 3.284 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccco1 ZINC001699984125 1202157651 /nfs/dbraw/zinc/15/76/51/1202157651.db2.gz ZFVXKLAUIMLGME-KRWDZBQOSA-N 0 3 324.424 3.025 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CCCCC)C(C)C)C[C@@H]2C1 ZINC001699990729 1202160010 /nfs/dbraw/zinc/16/00/10/1202160010.db2.gz KMEIUSIMNPYTEU-OTWHNJEPSA-N 0 3 318.505 3.252 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001753146374 1202163378 /nfs/dbraw/zinc/16/33/78/1202163378.db2.gz SQXPKEGKUJZDIZ-MSOLQXFVSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC(=O)NCCN([C@H](C)c1ccc(F)cc1)C1CC1 ZINC001753153219 1202170797 /nfs/dbraw/zinc/17/07/97/1202170797.db2.gz XBDNRCRJYPLHMW-CQSZACIVSA-N 0 3 304.409 3.434 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001700061634 1202170827 /nfs/dbraw/zinc/17/08/27/1202170827.db2.gz VUFIGHSGHSGRHU-OAHLLOKOSA-N 0 3 310.869 3.458 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001700091421 1202177379 /nfs/dbraw/zinc/17/73/79/1202177379.db2.gz OIPJZXMRKHAXOC-JKSUJKDBSA-N 0 3 300.446 3.357 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC001700094408 1202178362 /nfs/dbraw/zinc/17/83/62/1202178362.db2.gz JPZWUOIRFWYDFW-QAPCUYQASA-N 0 3 312.457 3.413 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)/C=C\c1ccc[nH]1 ZINC001700092396 1202178505 /nfs/dbraw/zinc/17/85/05/1202178505.db2.gz XDGJILIFDAKEIV-KHPPLWFESA-N 0 3 323.440 3.352 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001753186645 1202181908 /nfs/dbraw/zinc/18/19/08/1202181908.db2.gz XDQKTKJFSKJTMP-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN CC(C)CC(=O)NCCCN(Cc1ccccc1C#N)C(C)C ZINC001753281501 1202195099 /nfs/dbraw/zinc/19/50/99/1202195099.db2.gz CHAQMQIALBBNNJ-UHFFFAOYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001753310709 1202202597 /nfs/dbraw/zinc/20/25/97/1202202597.db2.gz UTCBXYHUGHUNPJ-SOLBZPMBSA-N 0 3 310.457 3.404 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001700200052 1202209857 /nfs/dbraw/zinc/20/98/57/1202209857.db2.gz DMMRYTJUDLFUGI-ZWKOTPCHSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001753326612 1202212081 /nfs/dbraw/zinc/21/20/81/1202212081.db2.gz GPKVSEQQHYBVRF-MJGOQNOKSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2ocnc2C2CC2)C1 ZINC001753327221 1202212980 /nfs/dbraw/zinc/21/29/80/1202212980.db2.gz IZJQNOSPCRFPCE-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C2(C(F)F)CCCC2)C(C)(C)C1 ZINC001700291249 1202228916 /nfs/dbraw/zinc/22/89/16/1202228916.db2.gz VVSHXUNEWGXFOI-CYBMUJFWSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1scnc1C ZINC001700345567 1202242937 /nfs/dbraw/zinc/24/29/37/1202242937.db2.gz YOLLDXRWOSCQCD-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CCC)CCC1 ZINC001700348298 1202243380 /nfs/dbraw/zinc/24/33/80/1202243380.db2.gz NXFZHGDBCWKMQI-RTBURBONSA-N 0 3 324.468 3.352 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001753409530 1202243511 /nfs/dbraw/zinc/24/35/11/1202243511.db2.gz REMKVBXXZXXUQO-HNAYVOBHSA-N 0 3 300.446 3.398 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCCc2ccccc21 ZINC001753420350 1202247930 /nfs/dbraw/zinc/24/79/30/1202247930.db2.gz TXTWHYFOQWJTSU-CMKODMSKSA-N 0 3 322.452 3.153 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)Cc1ccccc1 ZINC001700364407 1202251315 /nfs/dbraw/zinc/25/13/15/1202251315.db2.gz QDGVIELZBZHMGJ-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2csc(C)c2C)C1 ZINC001700373517 1202254153 /nfs/dbraw/zinc/25/41/53/1202254153.db2.gz QJWYGAJTMHRSKY-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN CC(C)c1ccccc1CN1CC[C@H](N(C)C(=O)C#CC2CC2)C1 ZINC001753437544 1202254911 /nfs/dbraw/zinc/25/49/11/1202254911.db2.gz LRJHQKYXIQXCDH-IBGZPJMESA-N 0 3 324.468 3.256 20 30 DGEDHN C=CCCCC(=O)NC1CC(CNCc2nc(C)c(C)s2)C1 ZINC001700378654 1202255096 /nfs/dbraw/zinc/25/50/96/1202255096.db2.gz TWROTYUUUUEBGA-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(CCC)cc2)C1 ZINC001700378269 1202255114 /nfs/dbraw/zinc/25/51/14/1202255114.db2.gz CZRCEEZEPZJLKD-UHFFFAOYSA-N 0 3 320.864 3.490 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1sccc1Cl ZINC001700395368 1202261192 /nfs/dbraw/zinc/26/11/92/1202261192.db2.gz POOYKNLKSYTGBK-RYUDHWBXSA-N 0 3 312.866 3.188 20 30 DGEDHN CC[C@@H](CNC(=O)C1(CC)CCC1)NCc1ccc(C#N)s1 ZINC001753485258 1202272103 /nfs/dbraw/zinc/27/21/03/1202272103.db2.gz WLAKWSKTPZTEMS-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2ccnc(Cl)c2)C1 ZINC001753489472 1202273329 /nfs/dbraw/zinc/27/33/29/1202273329.db2.gz KECYGQIPGRJLFI-AWEZNQCLSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001700444533 1202273956 /nfs/dbraw/zinc/27/39/56/1202273956.db2.gz BRVIYWSTYQTQIY-UHFFFAOYSA-N 0 3 318.248 3.108 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2cccnc2)CCCC1 ZINC001753498068 1202276053 /nfs/dbraw/zinc/27/60/53/1202276053.db2.gz OCICKLNQOMFQQL-KRWDZBQOSA-N 0 3 315.461 3.203 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001700458928 1202280406 /nfs/dbraw/zinc/28/04/06/1202280406.db2.gz AVWSCAVVLPMGMW-UONOGXRCSA-N 0 3 322.399 3.122 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001700467950 1202284216 /nfs/dbraw/zinc/28/42/16/1202284216.db2.gz VYMBIRRKYLYULX-GFCCVEGCSA-N 0 3 301.434 3.006 20 30 DGEDHN C[C@@H](CNC(=O)C1(C)CCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001700469736 1202285231 /nfs/dbraw/zinc/28/52/31/1202285231.db2.gz KTINHBZMJBQIBV-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001753547037 1202287799 /nfs/dbraw/zinc/28/77/99/1202287799.db2.gz WOUOUJDQMVQRDQ-CQSZACIVSA-N 0 3 312.885 3.393 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2(CC(C)C)CCC2)cc1 ZINC001753589556 1202294360 /nfs/dbraw/zinc/29/43/60/1202294360.db2.gz FPLYFJBRTPNSMW-UHFFFAOYSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2[nH]ccc2C)CCCCC1 ZINC001700510283 1202299237 /nfs/dbraw/zinc/29/92/37/1202299237.db2.gz RTAOZWPQOLDRFD-UHFFFAOYSA-N 0 3 309.841 3.098 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H](C)CC ZINC001700517338 1202301058 /nfs/dbraw/zinc/30/10/58/1202301058.db2.gz PEGCBYOVAQTIIA-PKOBYXMFSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001700523249 1202304128 /nfs/dbraw/zinc/30/41/28/1202304128.db2.gz INZDYEXVNLNUGZ-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001700523249 1202304130 /nfs/dbraw/zinc/30/41/30/1202304130.db2.gz INZDYEXVNLNUGZ-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCCCN1C[C@H](F)CC ZINC001700525385 1202304536 /nfs/dbraw/zinc/30/45/36/1202304536.db2.gz CWDIXBHJZUZGHM-SJORKVTESA-N 0 3 310.457 3.289 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C(C)(F)F)CCCC1 ZINC001753668831 1202309698 /nfs/dbraw/zinc/30/96/98/1202309698.db2.gz UZOPJGOPOQUPGK-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001700551875 1202311886 /nfs/dbraw/zinc/31/18/86/1202311886.db2.gz XDURPNQQEGKZQA-HUUCEWRRSA-N 0 3 318.436 3.017 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001700551874 1202312114 /nfs/dbraw/zinc/31/21/14/1202312114.db2.gz XDURPNQQEGKZQA-GJZGRUSLSA-N 0 3 318.436 3.017 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C/C=C/Cc2ccccc2)C(C)(C)C1 ZINC001700569122 1202315604 /nfs/dbraw/zinc/31/56/04/1202315604.db2.gz XITANVIXXRJDMV-JBVUFVISSA-N 0 3 324.468 3.025 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC(C)(F)F)C[C@H]2C1 ZINC001700614411 1202322295 /nfs/dbraw/zinc/32/22/95/1202322295.db2.gz FWTPKBDFZAYRBX-AVGNSLFASA-N 0 3 320.811 3.001 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001700616306 1202322899 /nfs/dbraw/zinc/32/28/99/1202322899.db2.gz MGSLJRXSZSLSOU-AZYXTAGOSA-N 0 3 322.880 3.478 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001700640889 1202327507 /nfs/dbraw/zinc/32/75/07/1202327507.db2.gz FNLPPMWISJNJIM-RBSFLKMASA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001700643051 1202328087 /nfs/dbraw/zinc/32/80/87/1202328087.db2.gz DIKBCJVSKLADHJ-BIAGXBKMSA-N 0 3 312.885 3.440 20 30 DGEDHN CCCCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001753752029 1202328907 /nfs/dbraw/zinc/32/89/07/1202328907.db2.gz YRKQUQJVOHPNSU-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1cccc(C)c1 ZINC001700671565 1202331887 /nfs/dbraw/zinc/33/18/87/1202331887.db2.gz LCMCKKJWOPWMSJ-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C ZINC001700700429 1202339270 /nfs/dbraw/zinc/33/92/70/1202339270.db2.gz QLKXYTUJKXQVPC-YOEHRIQHSA-N 0 3 320.864 3.403 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](NCc1csc(C)n1)C(C)C ZINC001700713420 1202340651 /nfs/dbraw/zinc/34/06/51/1202340651.db2.gz OYYIXXUVAGZVJX-OAHLLOKOSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1cc(C)ccc1F)C1CC1 ZINC001700721988 1202342618 /nfs/dbraw/zinc/34/26/18/1202342618.db2.gz OCDDJSDOPDELNE-GOSISDBHSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CC1(C)CCCC1)C(C)C ZINC001753829484 1202343213 /nfs/dbraw/zinc/34/32/13/1202343213.db2.gz PZHWXCNEMSXSDO-CQSZACIVSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](CNCc1cc(C)ns1)C1CC1 ZINC001700723629 1202343347 /nfs/dbraw/zinc/34/33/47/1202343347.db2.gz LXWFMFOTWWVIPC-MRXNPFEDSA-N 0 3 321.490 3.134 20 30 DGEDHN CCCC1(C(=O)N(C)C[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001700767460 1202351397 /nfs/dbraw/zinc/35/13/97/1202351397.db2.gz LTJUQAOARIHUJY-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001700822391 1202356047 /nfs/dbraw/zinc/35/60/47/1202356047.db2.gz PVHPZYTYSIEYJJ-UYAOXDASSA-N 0 3 324.468 3.364 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC001700853751 1202359463 /nfs/dbraw/zinc/35/94/63/1202359463.db2.gz MFJRGIBQOKBBOS-HOCLYGCPSA-N 0 3 324.424 3.266 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](CC)c3ccccc3)CCC[C@H]12 ZINC001700865490 1202361577 /nfs/dbraw/zinc/36/15/77/1202361577.db2.gz IRNODERIOZGBPD-SLYNCCJLSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C(C)(C)C(C)C)c(F)c1 ZINC001701064336 1202386697 /nfs/dbraw/zinc/38/66/97/1202386697.db2.gz GFTMJQVASQUWOR-UHFFFAOYSA-N 0 3 306.425 3.400 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccccc2C)c(F)c1 ZINC001701065056 1202386713 /nfs/dbraw/zinc/38/67/13/1202386713.db2.gz PXBSLYDGYRLJAQ-UHFFFAOYSA-N 0 3 312.388 3.340 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001707046431 1202568586 /nfs/dbraw/zinc/56/85/86/1202568586.db2.gz HZGKKFFJHYABBN-LSDHHAIUSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001707049032 1202568890 /nfs/dbraw/zinc/56/88/90/1202568890.db2.gz FQCUJRQBBPJVBZ-SJORKVTESA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001707056199 1202570329 /nfs/dbraw/zinc/57/03/29/1202570329.db2.gz VLZZZKQESXVZEL-GJZGRUSLSA-N 0 3 319.449 3.128 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001707125718 1202574110 /nfs/dbraw/zinc/57/41/10/1202574110.db2.gz SULNZQTXBACADF-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCCC3CC3)C(C)(C)[C@H]21 ZINC001707185703 1202575634 /nfs/dbraw/zinc/57/56/34/1202575634.db2.gz LBHIFNHHLRZYQA-NEWSRXKRSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCCC#CC)C1 ZINC001707232865 1202577195 /nfs/dbraw/zinc/57/71/95/1202577195.db2.gz GGSLVUFZUXBRNP-INIZCTEOSA-N 0 3 310.869 3.293 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc[nH]c1CCC ZINC001707275383 1202580234 /nfs/dbraw/zinc/58/02/34/1202580234.db2.gz OGPZBUQGKSRQKX-HNNXBMFYSA-N 0 3 303.450 3.080 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001707274649 1202580247 /nfs/dbraw/zinc/58/02/47/1202580247.db2.gz IKEPKJPVKDUEQJ-QGZVFWFLSA-N 0 3 321.490 3.130 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001713000845 1202609359 /nfs/dbraw/zinc/60/93/59/1202609359.db2.gz WFUFLYOKYHHYCE-NEPJUHHUSA-N 0 3 308.800 3.143 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H](C)CC1CCCCC1)C1CC1 ZINC001713046078 1202612645 /nfs/dbraw/zinc/61/26/45/1202612645.db2.gz RJOQJKHZNSFOJV-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1ccc(Cl)cc1F)C1CC1 ZINC001713103371 1202617516 /nfs/dbraw/zinc/61/75/16/1202617516.db2.gz ADTMVYVZQNAWKD-MRXNPFEDSA-N 0 3 324.827 3.430 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](CN(C)C[C@H](F)CC)C1 ZINC001713129725 1202620181 /nfs/dbraw/zinc/62/01/81/1202620181.db2.gz UYMJEPRKMPDGOB-DLBZAZTESA-N 0 3 310.457 3.099 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1C(C)(C)C1(C)C ZINC001713139402 1202621511 /nfs/dbraw/zinc/62/15/11/1202621511.db2.gz RALVGHSZLDSIGP-GASCZTMLSA-N 0 3 304.478 3.310 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCOC1 ZINC001713139529 1202621525 /nfs/dbraw/zinc/62/15/25/1202621525.db2.gz VQRDCIQCYBORBS-KURKYZTESA-N 0 3 322.493 3.059 20 30 DGEDHN C[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166106 1202623452 /nfs/dbraw/zinc/62/34/52/1202623452.db2.gz IXUBWLPGIPXXEP-VBSBHUPXSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2CN(CCC(F)(F)F)CC[C@H]21 ZINC001713182119 1202624967 /nfs/dbraw/zinc/62/49/67/1202624967.db2.gz MJNLRWVKVBABAD-ZIAGYGMSSA-N 0 3 318.383 3.218 20 30 DGEDHN C[C@H]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001713198763 1202625981 /nfs/dbraw/zinc/62/59/81/1202625981.db2.gz HUWKRGJZBXHNOX-OJAHFUOMSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2cc(C)ccc2F)C1 ZINC001713211091 1202627345 /nfs/dbraw/zinc/62/73/45/1202627345.db2.gz CXGIRRYDZZGZCU-INIZCTEOSA-N 0 3 318.436 3.429 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001713223106 1202628662 /nfs/dbraw/zinc/62/86/62/1202628662.db2.gz RXHYNVBYERZOKO-UYAOXDASSA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001713258606 1202632659 /nfs/dbraw/zinc/63/26/59/1202632659.db2.gz AUCNSBGXNRVUSR-QZTJIDSGSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)NCc2ccc(F)c(Cl)c2)C1 ZINC001713337451 1202640475 /nfs/dbraw/zinc/64/04/75/1202640475.db2.gz QSRPZFNLTJXFMK-GFCCVEGCSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C/C=C\c1ccc(F)cc1 ZINC001713410103 1202646908 /nfs/dbraw/zinc/64/69/08/1202646908.db2.gz GDWHIDHUJADHAU-VQTKUKTRSA-N 0 3 324.827 3.466 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@@H]1CCCN1Cc1cc(C)no1 ZINC001713433360 1202649093 /nfs/dbraw/zinc/64/90/93/1202649093.db2.gz WPQCLSJPDQLZNN-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@H]1CCCN1Cc1cc(C)no1 ZINC001713433359 1202649305 /nfs/dbraw/zinc/64/93/05/1202649305.db2.gz WPQCLSJPDQLZNN-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001713462863 1202653325 /nfs/dbraw/zinc/65/33/25/1202653325.db2.gz IKXXKMBWBLKUSI-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001713466212 1202653970 /nfs/dbraw/zinc/65/39/70/1202653970.db2.gz SZLHGMXWBZJSFH-GOSISDBHSA-N 0 3 306.425 3.306 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001713467894 1202654350 /nfs/dbraw/zinc/65/43/50/1202654350.db2.gz DQCGBFHWBHVABL-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001713514966 1202663230 /nfs/dbraw/zinc/66/32/30/1202663230.db2.gz LIJHZLPYPRXPPJ-RDJZCZTQSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1c(Cl)cccc1Cl ZINC001713552185 1202669205 /nfs/dbraw/zinc/66/92/05/1202669205.db2.gz PVDMZUILWVWQHZ-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CCC1CCCC1)c1ccccc1 ZINC001713697235 1202678142 /nfs/dbraw/zinc/67/81/42/1202678142.db2.gz ROMGUEIROMKLFQ-IBGZPJMESA-N 0 3 312.457 3.427 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC12CC2)c1ccc(C(C)C)cc1 ZINC001713698670 1202678344 /nfs/dbraw/zinc/67/83/44/1202678344.db2.gz QPNVUNMHQKSZPW-OALUTQOASA-N 0 3 324.468 3.380 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001713715840 1202680508 /nfs/dbraw/zinc/68/05/08/1202680508.db2.gz FFNCEZZQEQHZDA-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cccn2CC)C1 ZINC001713722817 1202681787 /nfs/dbraw/zinc/68/17/87/1202681787.db2.gz UZUVBOWXMLDIAQ-MRXNPFEDSA-N 0 3 303.450 3.011 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC001713776859 1202689311 /nfs/dbraw/zinc/68/93/11/1202689311.db2.gz VHWBPWMZEVUQCH-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CCCOC(C)C)C2)CC1 ZINC001713791446 1202691046 /nfs/dbraw/zinc/69/10/46/1202691046.db2.gz AQHBUXSSUGIELU-SFHVURJKSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)CCCCC1 ZINC001713794231 1202691624 /nfs/dbraw/zinc/69/16/24/1202691624.db2.gz HPDSTGUAUCYJTC-SJORKVTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001713794558 1202691758 /nfs/dbraw/zinc/69/17/58/1202691758.db2.gz BNEBZPVCXFCZIK-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001713849800 1202695485 /nfs/dbraw/zinc/69/54/85/1202695485.db2.gz LHUWJQQRQNETRL-SJORKVTESA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001713849796 1202695501 /nfs/dbraw/zinc/69/55/01/1202695501.db2.gz LHUWJQQRQNETRL-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCC(=O)NC[C@H](NCc1ccccc1Cl)C1CC1 ZINC001713865477 1202697115 /nfs/dbraw/zinc/69/71/15/1202697115.db2.gz SSQLYISOTHQWNI-KRWDZBQOSA-N 0 3 318.848 3.128 20 30 DGEDHN CCCCCCC[NH+]1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001713888579 1202699315 /nfs/dbraw/zinc/69/93/15/1202699315.db2.gz WBFASGYSHNHGNZ-UHFFFAOYSA-N 0 3 304.434 3.024 20 30 DGEDHN C=C[C@H](C(=O)NCC1CN(CC/C=C\CC)C1)c1ccccc1 ZINC001713925863 1202702762 /nfs/dbraw/zinc/70/27/62/1202702762.db2.gz PBYCTXMCJXOXAX-VOFKWLDRSA-N 0 3 312.457 3.361 20 30 DGEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC)c1ccccc1 ZINC001713941790 1202704380 /nfs/dbraw/zinc/70/43/80/1202704380.db2.gz MUAMHYZOPRDXPE-GBESFXJTSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001714038611 1202744701 /nfs/dbraw/zinc/74/47/01/1202744701.db2.gz AEEQPLNYQUKVCK-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001714104591 1202778515 /nfs/dbraw/zinc/77/85/15/1202778515.db2.gz SQCZPINLLLAJJJ-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2Cc3ccccc32)CCCC1 ZINC001714140463 1202797975 /nfs/dbraw/zinc/79/79/75/1202797975.db2.gz LGLFGOQTUUKZSS-INIZCTEOSA-N 0 3 318.848 3.097 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#CC ZINC001714146310 1202801126 /nfs/dbraw/zinc/80/11/26/1202801126.db2.gz UXKQEVQWXXKNAV-ROUUACIJSA-N 0 3 316.489 3.458 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001714156421 1202809931 /nfs/dbraw/zinc/80/99/31/1202809931.db2.gz LFLNNBMRUMJNJG-INIZCTEOSA-N 0 3 310.800 3.066 20 30 DGEDHN C#CCCCC(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001714188415 1202823230 /nfs/dbraw/zinc/82/32/30/1202823230.db2.gz YIORZEUNHPAKEH-BENRWUELSA-N 0 3 317.260 3.126 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC001714194205 1202825727 /nfs/dbraw/zinc/82/57/27/1202825727.db2.gz FBJOASFCHUEPQJ-HNNXBMFYSA-N 0 3 324.852 3.183 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CCNCc2cc(C)no2)C1 ZINC001714212361 1202834236 /nfs/dbraw/zinc/83/42/36/1202834236.db2.gz ZDUNVUQIEPKVLS-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN CCCC(=O)NCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC001714318598 1202880348 /nfs/dbraw/zinc/88/03/48/1202880348.db2.gz PGARQOWBKUECMB-UHFFFAOYSA-N 0 3 321.424 3.264 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cscc2Cl)cc1 ZINC001714320320 1202880664 /nfs/dbraw/zinc/88/06/64/1202880664.db2.gz OLEOBWFTCPHXIQ-UHFFFAOYSA-N 0 3 318.829 3.054 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2nc(C)sc2C)C1 ZINC001714349666 1202891940 /nfs/dbraw/zinc/89/19/40/1202891940.db2.gz KVEFRWDZIOZTAE-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN Cc1ccccc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001714371785 1202901174 /nfs/dbraw/zinc/90/11/74/1202901174.db2.gz YYMOTLZUXLVBQW-HNNXBMFYSA-N 0 3 321.424 3.022 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC001714406180 1202915710 /nfs/dbraw/zinc/91/57/10/1202915710.db2.gz FIRNDZWEFCPOKM-JKSUJKDBSA-N 0 3 319.449 3.165 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC001714406167 1202916033 /nfs/dbraw/zinc/91/60/33/1202916033.db2.gz FEQKTELLBHFBFV-UONOGXRCSA-N 0 3 321.490 3.181 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC001714440647 1202935291 /nfs/dbraw/zinc/93/52/91/1202935291.db2.gz LACXXUKDTQXUHV-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN CCCC(=O)NCC1(NCc2ccc(C#N)cc2F)CCCC1 ZINC001714484172 1202956053 /nfs/dbraw/zinc/95/60/53/1202956053.db2.gz ASUSEASNNKMKGO-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN CCCCCC(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001714625695 1203060265 /nfs/dbraw/zinc/06/02/65/1203060265.db2.gz LEMJPTVKXFCEIH-SFHVURJKSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](C)Cc1ccccc1Cl)C1CC1 ZINC001714672925 1203095152 /nfs/dbraw/zinc/09/51/52/1203095152.db2.gz GWQFOIBNADDRHL-AWEZNQCLSA-N 0 3 320.864 3.285 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC(C)C)cc1 ZINC001714842260 1203148226 /nfs/dbraw/zinc/14/82/26/1203148226.db2.gz DBPKURJGHYMGAX-BGYRXZFFSA-N 0 3 324.468 3.393 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccoc2C2CC2)C1 ZINC001714864276 1203162006 /nfs/dbraw/zinc/16/20/06/1203162006.db2.gz FCKPDMFPGORHCG-MRXNPFEDSA-N 0 3 314.429 3.107 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccsc2Cl)C1 ZINC001714871408 1203167237 /nfs/dbraw/zinc/16/72/37/1203167237.db2.gz JWYDTWFDVIHXSL-CYBMUJFWSA-N 0 3 324.877 3.351 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001714877541 1203172520 /nfs/dbraw/zinc/17/25/20/1203172520.db2.gz ZIIQAPHZVTXPKL-GVDBMIGSSA-N 0 3 316.445 3.272 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(C)cccn2c1 ZINC001714992189 1203228368 /nfs/dbraw/zinc/22/83/68/1203228368.db2.gz FOILTOKVJBGNGD-ROUUACIJSA-N 0 3 323.440 3.113 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccco1 ZINC001714991972 1203228686 /nfs/dbraw/zinc/22/86/86/1203228686.db2.gz NPEQQAQJMHGANY-IKGGRYGDSA-N 0 3 316.445 3.415 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001715033018 1203246375 /nfs/dbraw/zinc/24/63/75/1203246375.db2.gz URKANFXGADAOTB-IEBWSBKVSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCC=C(Cl)Cl ZINC001715057732 1203257872 /nfs/dbraw/zinc/25/78/72/1203257872.db2.gz BSNHCGNXQKXIIB-NSHDSACASA-N 0 3 307.265 3.392 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1cccc(Cl)n1 ZINC001715060656 1203259204 /nfs/dbraw/zinc/25/92/04/1203259204.db2.gz OSHIEXQTTWFOLF-CYBMUJFWSA-N 0 3 309.841 3.076 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1c(C)nsc1C ZINC001715076756 1203264769 /nfs/dbraw/zinc/26/47/69/1203264769.db2.gz PEQOSLJTOTZGBZ-AWEZNQCLSA-N 0 3 323.506 3.347 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1c(C)nsc1C ZINC001715076757 1203264910 /nfs/dbraw/zinc/26/49/10/1203264910.db2.gz PEQOSLJTOTZGBZ-CQSZACIVSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)CC(C)(C)C1CC1)C1CC1 ZINC001715105230 1203273866 /nfs/dbraw/zinc/27/38/66/1203273866.db2.gz AWEWMSVYYQTKNM-KRWDZBQOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC001715121438 1203278454 /nfs/dbraw/zinc/27/84/54/1203278454.db2.gz WNAUZSOBYFEIKW-SUMWQHHRSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2nc(C)cs2)CC1 ZINC001715190601 1203292714 /nfs/dbraw/zinc/29/27/14/1203292714.db2.gz URILABZZGQGPLV-HDJSIYSDSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCC(=O)NCc1ccc(CNCc2cncc(C)c2)cc1 ZINC001715195164 1203293353 /nfs/dbraw/zinc/29/33/53/1203293353.db2.gz QSTGLMXBGRWDEJ-UHFFFAOYSA-N 0 3 323.440 3.262 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccccc2C)CCCC1 ZINC001715294838 1203308338 /nfs/dbraw/zinc/30/83/38/1203308338.db2.gz QBILDZFDHKUUNZ-UHFFFAOYSA-N 0 3 306.837 3.380 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C(F)=C1CCCC1)C(C)C ZINC001715486613 1203349801 /nfs/dbraw/zinc/34/98/01/1203349801.db2.gz DBTWPLCNRVZWHM-ZDUSSCGKSA-N 0 3 302.821 3.267 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001715391902 1203332759 /nfs/dbraw/zinc/33/27/59/1203332759.db2.gz VTSJABGBWJQZEB-MECSIWFOSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1cncc(F)c1)C(C)C ZINC001715509115 1203355843 /nfs/dbraw/zinc/35/58/43/1203355843.db2.gz RETMSSUJSRDPLF-FUHWJXTLSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)Cc1ccc(OC)cc1 ZINC001715530547 1203363645 /nfs/dbraw/zinc/36/36/45/1203363645.db2.gz WJLHISUGCANPIQ-IBGZPJMESA-N 0 3 318.461 3.188 20 30 DGEDHN CCN(CCNCc1cc(F)ccc1C)C(=O)C#CC(C)(C)C ZINC001715731899 1203385408 /nfs/dbraw/zinc/38/54/08/1203385408.db2.gz OLRMDHZSVVVLMB-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccc(Cl)nc1 ZINC001715749584 1203387445 /nfs/dbraw/zinc/38/74/45/1203387445.db2.gz SAVRNUHEQYQSER-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccc(F)cc1C ZINC001715851622 1203397830 /nfs/dbraw/zinc/39/78/30/1203397830.db2.gz HYUGMPYQOZARLI-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001715959815 1203411292 /nfs/dbraw/zinc/41/12/92/1203411292.db2.gz WWYUGCQXSXZHAA-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1sccc1C(F)F ZINC001716003632 1203419657 /nfs/dbraw/zinc/41/96/57/1203419657.db2.gz PSTXXLCDGPMAHZ-UHFFFAOYSA-N 0 3 302.390 3.266 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001716050750 1203435938 /nfs/dbraw/zinc/43/59/38/1203435938.db2.gz VAOMEMGHJGHMBM-UOHAWKTFSA-N 0 3 322.880 3.430 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1cscn1 ZINC001716068606 1203438594 /nfs/dbraw/zinc/43/85/94/1203438594.db2.gz BSUWNHIMTGQHAH-UKRRQHHQSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001716299441 1203458134 /nfs/dbraw/zinc/45/81/34/1203458134.db2.gz NVMYRRWGQBIAKA-SNAWJCMRSA-N 0 3 304.409 3.252 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001716448989 1203475687 /nfs/dbraw/zinc/47/56/87/1203475687.db2.gz WDXOOOMOQNORFW-NSHDSACASA-N 0 3 312.816 3.286 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001716450456 1203476281 /nfs/dbraw/zinc/47/62/81/1203476281.db2.gz ALNSZIBVRNAKSA-AWEZNQCLSA-N 0 3 320.864 3.222 20 30 DGEDHN CC(C)CC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001716459801 1203478012 /nfs/dbraw/zinc/47/80/12/1203478012.db2.gz XGUXOCFXCCORFE-ZDUSSCGKSA-N 0 3 321.490 3.286 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC001716479145 1203484759 /nfs/dbraw/zinc/48/47/59/1203484759.db2.gz ZJOQSYILDDBGOC-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C(F)F)cc1 ZINC001716479240 1203485115 /nfs/dbraw/zinc/48/51/15/1203485115.db2.gz UWONANCRRYYBCS-CQSZACIVSA-N 0 3 322.399 3.364 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1cc(C)sc1C ZINC001716491545 1203489068 /nfs/dbraw/zinc/48/90/68/1203489068.db2.gz RMVJLGNPIMSCRJ-AWEZNQCLSA-N 0 3 320.502 3.495 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001716499036 1203492427 /nfs/dbraw/zinc/49/24/27/1203492427.db2.gz ZUQJEVHVSZRMLO-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccccc1Cl)C1CC1 ZINC001716606676 1203505781 /nfs/dbraw/zinc/50/57/81/1203505781.db2.gz UIQRYXFXBJOYNN-MRXNPFEDSA-N 0 3 306.837 3.291 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001716640917 1203510998 /nfs/dbraw/zinc/51/09/98/1203510998.db2.gz KLZXTZJLQKREBP-KRWDZBQOSA-N 0 3 304.409 3.376 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC001716652005 1203513376 /nfs/dbraw/zinc/51/33/76/1203513376.db2.gz GWAZUMNKZIUKDS-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccccc1Cl ZINC001716669698 1203520960 /nfs/dbraw/zinc/52/09/60/1203520960.db2.gz VBUDMVIZBGWJBI-KGLIPLIRSA-N 0 3 306.837 3.499 20 30 DGEDHN C=C1CCC(C(=O)NCC2(NCc3cccc(F)c3)CC2)CC1 ZINC001716692889 1203526155 /nfs/dbraw/zinc/52/61/55/1203526155.db2.gz KUOYVFNZRZSPGG-UHFFFAOYSA-N 0 3 316.420 3.311 20 30 DGEDHN CC#CCCCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001716796874 1203544479 /nfs/dbraw/zinc/54/44/79/1203544479.db2.gz KJGLJZKWUNNYEI-UHFFFAOYSA-N 0 3 318.486 3.412 20 30 DGEDHN C#CCN(C(=O)c1ccc(Cl)s1)C1CCN(CC=C)CC1 ZINC001716811847 1203545932 /nfs/dbraw/zinc/54/59/32/1203545932.db2.gz PCCIQSYXBRFYRF-UHFFFAOYSA-N 0 3 322.861 3.127 20 30 DGEDHN C#CCN(C(=O)c1cc(C)cc(C)c1)C1CCN(CC(=C)C)CC1 ZINC001716811549 1203546203 /nfs/dbraw/zinc/54/62/03/1203546203.db2.gz CXTGRERSIHLBKC-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN C=C(C)CCC(=O)NCC1(C)CCN(Cc2cnoc2C)CC1 ZINC001716885515 1203561543 /nfs/dbraw/zinc/56/15/43/1203561543.db2.gz SYXRNFMINTVZKI-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001716889305 1203562232 /nfs/dbraw/zinc/56/22/32/1203562232.db2.gz DVLNUYPLVHUHJR-UHFFFAOYSA-N 0 3 310.441 3.029 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001716898110 1203565455 /nfs/dbraw/zinc/56/54/55/1203565455.db2.gz OTXXZXLSAZYWGA-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(OC)c(C)c2)C1 ZINC001716900909 1203566002 /nfs/dbraw/zinc/56/60/02/1203566002.db2.gz XIWZTNCMIUMNTM-IBGZPJMESA-N 0 3 316.445 3.022 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccc(C)s2)C1 ZINC001716903000 1203566807 /nfs/dbraw/zinc/56/68/07/1203566807.db2.gz UWGOZGRPGCAOEZ-QGZVFWFLSA-N 0 3 306.475 3.003 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CN(CC[C@H](C)F)CCC1(F)F ZINC001716910697 1203567807 /nfs/dbraw/zinc/56/78/07/1203567807.db2.gz IYYMYHMOIDBQDW-KBPBESRZSA-N 0 3 320.399 3.164 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)CC)c1ccccc1CC ZINC001716954520 1203569556 /nfs/dbraw/zinc/56/95/56/1203569556.db2.gz XSRDUOQTWZQBJA-QAPCUYQASA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CN(C[C@@H](F)CC)C[C@H]3C2)CCCC1 ZINC001717015279 1203577705 /nfs/dbraw/zinc/57/77/05/1203577705.db2.gz YCSINOYJCPKACD-BBWFWOEESA-N 0 3 322.468 3.261 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H](C)c1ccco1 ZINC001717113634 1203585954 /nfs/dbraw/zinc/58/59/54/1203585954.db2.gz NITRVYGTXLOGDH-OAHLLOKOSA-N 0 3 312.413 3.317 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1[nH]c(C)cc1C ZINC001717113643 1203585959 /nfs/dbraw/zinc/58/59/59/1203585959.db2.gz NPMVYVSIQNYCDR-UHFFFAOYSA-N 0 3 311.429 3.179 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCC(F)(F)F ZINC001717113040 1203586122 /nfs/dbraw/zinc/58/61/22/1203586122.db2.gz SGNINLQOHMHVGG-UHFFFAOYSA-N 0 3 314.351 3.263 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C=C/C(C)(C)C)cccc2C1 ZINC001717143254 1203589950 /nfs/dbraw/zinc/58/99/50/1203589950.db2.gz CTELXLKZFQFOMR-ZRDIBKRKSA-N 0 3 324.468 3.287 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccccc2C(C)(C)C)CCC1 ZINC001717152736 1203591976 /nfs/dbraw/zinc/59/19/76/1203591976.db2.gz GSQJDTLHVBNUKO-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001717191524 1203595435 /nfs/dbraw/zinc/59/54/35/1203595435.db2.gz NUSHNSYKIYSOBF-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001717191526 1203595965 /nfs/dbraw/zinc/59/59/65/1203595965.db2.gz NUSHNSYKIYSOBF-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001717200876 1203599099 /nfs/dbraw/zinc/59/90/99/1203599099.db2.gz OZNQTRYXUHJMFY-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1oc2ccccc2c1CC ZINC001717215229 1203605620 /nfs/dbraw/zinc/60/56/20/1203605620.db2.gz CGAJEWIZNTYQMI-UHFFFAOYSA-N 0 3 312.413 3.022 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccoc1 ZINC001717243007 1203608603 /nfs/dbraw/zinc/60/86/03/1203608603.db2.gz UTTODNGIUXCQML-LJQANCHMSA-N 0 3 324.424 3.403 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCCC ZINC001717243325 1203609109 /nfs/dbraw/zinc/60/91/09/1203609109.db2.gz CDFFFJKMZNVDAX-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)CCC)C2 ZINC001717248025 1203610223 /nfs/dbraw/zinc/61/02/23/1203610223.db2.gz SWNHVBPLXCNCOC-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN CC(C)CCCN1Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2C1 ZINC001717269506 1203610508 /nfs/dbraw/zinc/61/05/08/1203610508.db2.gz PFBXZTRTLCKONQ-HNNXBMFYSA-N 0 3 313.445 3.214 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC2(C)CCCC2)C(C)(C)C1 ZINC001717308766 1203616663 /nfs/dbraw/zinc/61/66/63/1203616663.db2.gz XJYOGWSESZMNND-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CC=C)CCCCC2)C[C@H]1C ZINC001717335364 1203619763 /nfs/dbraw/zinc/61/97/63/1203619763.db2.gz IMELQPGJEMZMTO-IAGOWNOFSA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccncc2)CC1 ZINC001717354600 1203623450 /nfs/dbraw/zinc/62/34/50/1203623450.db2.gz HMPQKDBPNQFNQG-UHFFFAOYSA-N 0 3 321.852 3.008 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1cccc(F)c1F ZINC001717376268 1203631434 /nfs/dbraw/zinc/63/14/34/1203631434.db2.gz NBUVYDOHRHLPMV-HNNXBMFYSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2nc(C)cs2)C1 ZINC001717384879 1203632653 /nfs/dbraw/zinc/63/26/53/1203632653.db2.gz WWKVGQCZLFEAOI-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001717396581 1203635140 /nfs/dbraw/zinc/63/51/40/1203635140.db2.gz HMRITDCKRDMFOZ-HUUCEWRRSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001717424914 1203641745 /nfs/dbraw/zinc/64/17/45/1203641745.db2.gz LMRHIOAISROXKB-STQMWFEESA-N 0 3 310.388 3.304 20 30 DGEDHN C[C@@H](CNC(=O)CC#Cc1ccccc1)N(C)Cc1ccccc1 ZINC001717500928 1203667732 /nfs/dbraw/zinc/66/77/32/1203667732.db2.gz ZWIAEMAGSBZMNC-SFHVURJKSA-N 0 3 320.436 3.065 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)C(C)(C)C1 ZINC001717588533 1203687794 /nfs/dbraw/zinc/68/77/94/1203687794.db2.gz CEQNIRGGVHDOFA-IHHMQQGQSA-N 0 3 324.468 3.248 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001717810181 1203714952 /nfs/dbraw/zinc/71/49/52/1203714952.db2.gz UBKOOCVKCMWHOE-GDBMZVCRSA-N 0 3 304.459 3.021 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc3ccc(CC)cc23)C1 ZINC001717812599 1203715491 /nfs/dbraw/zinc/71/54/91/1203715491.db2.gz IUDNUXPJTDEJIG-GOEBONIOSA-N 0 3 324.424 3.211 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001717830230 1203717276 /nfs/dbraw/zinc/71/72/76/1203717276.db2.gz PKSUNNOOKQNYIA-KGLIPLIRSA-N 0 3 318.486 3.262 20 30 DGEDHN Cc1ccc(CN(C)CCN(C(=O)[C@@H](C)C#N)C(C)C)cc1C ZINC001717948224 1203732444 /nfs/dbraw/zinc/73/24/44/1203732444.db2.gz 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/nfs/dbraw/zinc/97/36/90/1203973690.db2.gz VPGAGRBNLMIMPY-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001723458629 1203974927 /nfs/dbraw/zinc/97/49/27/1203974927.db2.gz SGCSQAFPWVXFMI-MAUKXSAKSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001723472055 1203977132 /nfs/dbraw/zinc/97/71/32/1203977132.db2.gz XEYHFJYPCCFFOE-BEFAXECRSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc3ncccc3c2)CC1 ZINC001723521109 1203980262 /nfs/dbraw/zinc/98/02/62/1203980262.db2.gz PYTBJYCRNBDWSZ-UHFFFAOYSA-N 0 3 323.440 3.330 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc(Cl)cc3)CC2)C1 ZINC001723558410 1203982393 /nfs/dbraw/zinc/98/23/93/1203982393.db2.gz MDCPMJAKTHHENV-UHFFFAOYSA-N 0 3 318.848 3.435 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C=C(CC)CC)C2)C1 ZINC001723678743 1203988322 /nfs/dbraw/zinc/98/83/22/1203988322.db2.gz NNWLYQPPLUFWSJ-LJQANCHMSA-N 0 3 302.462 3.071 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc3ccccc3c2)C1 ZINC001724139707 1204008133 /nfs/dbraw/zinc/00/81/33/1204008133.db2.gz DMWIAHSGNOBAMY-FOIQADDNSA-N 0 3 321.424 3.080 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001724174644 1204012038 /nfs/dbraw/zinc/01/20/38/1204012038.db2.gz KHFHMUHTWVNRRR-VQIMIIECSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cccc(C3CCC3)c2)CC1 ZINC001724301517 1204018956 /nfs/dbraw/zinc/01/89/56/1204018956.db2.gz CEJKRPBJUVWKMX-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2sc(C)cc2C)C1 ZINC001724323829 1204021279 /nfs/dbraw/zinc/02/12/79/1204021279.db2.gz VZZPPVCAFKQMFU-QGZVFWFLSA-N 0 3 306.475 3.383 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001724341491 1204023173 /nfs/dbraw/zinc/02/31/73/1204023173.db2.gz UKFXOWPYZBFHLD-IBGZPJMESA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001724339481 1204023354 /nfs/dbraw/zinc/02/33/54/1204023354.db2.gz CEJOKXMFXOLFRV-GOSISDBHSA-N 0 3 319.449 3.124 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2cccs2)C1 ZINC001724333719 1204023400 /nfs/dbraw/zinc/02/34/00/1204023400.db2.gz PFHBODAOUAULJM-QAPCUYQASA-N 0 3 318.486 3.093 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC1CCC1)c1ccccc1CC ZINC001724508506 1204026519 /nfs/dbraw/zinc/02/65/19/1204026519.db2.gz NAJSZFFGOWONNG-IBGZPJMESA-N 0 3 312.457 3.209 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2(C(F)F)CCC2)cc1 ZINC001724750614 1204043445 /nfs/dbraw/zinc/04/34/45/1204043445.db2.gz UADGOLDWHBAPBN-ZDUSSCGKSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C(C)(C)C)cc2)CCC1 ZINC001724799396 1204048908 /nfs/dbraw/zinc/04/89/08/1204048908.db2.gz UGANMLRGICJILJ-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cccnc2C)CC1 ZINC001724835679 1204051479 /nfs/dbraw/zinc/05/14/79/1204051479.db2.gz KNHMTVAOKVIJTK-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001724856086 1204058450 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DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001725116369 1204097807 /nfs/dbraw/zinc/09/78/07/1204097807.db2.gz RRWHGQKMHLUYFW-QWHCGFSZSA-N 0 3 309.841 3.074 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001725130877 1204100319 /nfs/dbraw/zinc/10/03/19/1204100319.db2.gz JOCKIJXLBVPXBE-NWDGAFQWSA-N 0 3 310.388 3.160 20 30 DGEDHN C=C(C)CCC(=O)N(C)CC(C)(C)CNCc1ncc(C)s1 ZINC001725181316 1204113475 /nfs/dbraw/zinc/11/34/75/1204113475.db2.gz MGADVNCADNVYSQ-UHFFFAOYSA-N 0 3 323.506 3.382 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C(C)C ZINC001725229283 1204122328 /nfs/dbraw/zinc/12/23/28/1204122328.db2.gz OUNBTORCSCUGPY-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CC1(c2ccccc2)CC1 ZINC001725238480 1204124782 /nfs/dbraw/zinc/12/47/82/1204124782.db2.gz SXDUPEIGSYJYCQ-LJQANCHMSA-N 0 3 324.468 3.102 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1CCc1ccns1 ZINC001725241944 1204126025 /nfs/dbraw/zinc/12/60/25/1204126025.db2.gz 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CC#CCN(C)CCCNC(=O)c1cccc(Cl)c1Cl ZINC001731279534 1204359543 /nfs/dbraw/zinc/35/95/43/1204359543.db2.gz JZALXPPNMKJCLZ-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CCCc1cc(C)sc1C ZINC001731286117 1204361396 /nfs/dbraw/zinc/36/13/96/1204361396.db2.gz GJDVTYULSWCCHD-UHFFFAOYSA-N 0 3 320.502 3.149 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@]1(C)CCC[C@H]1CC)C1CC1 ZINC001731336360 1204376363 /nfs/dbraw/zinc/37/63/63/1204376363.db2.gz IHXVJKOGVCCGFL-VQIMIIECSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1ncccc1C)C1CC1 ZINC001731336104 1204376496 /nfs/dbraw/zinc/37/64/96/1204376496.db2.gz RCBPHKIKDSYKJH-UHFFFAOYSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001731382844 1204389799 /nfs/dbraw/zinc/38/97/99/1204389799.db2.gz MESSHXUUONJBBC-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC23CCN(C[C@@H](F)CC)CC3)CCC1 ZINC001731382444 1204390064 /nfs/dbraw/zinc/39/00/64/1204390064.db2.gz FBZORZCCITYYRW-JKSUJKDBSA-N 0 3 322.468 3.452 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccncc2Cl)CC1 ZINC001731387964 1204392430 /nfs/dbraw/zinc/39/24/30/1204392430.db2.gz YNTZOKLTXIWORO-UHFFFAOYSA-N 0 3 321.852 3.238 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001731452540 1204416590 /nfs/dbraw/zinc/41/65/90/1204416590.db2.gz YQRRIAGQSONABM-FVQBIDKESA-N 0 3 304.409 3.165 20 30 DGEDHN C[C@@H](C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1CCCC1 ZINC001731456641 1204418705 /nfs/dbraw/zinc/41/87/05/1204418705.db2.gz PRTDPYOYASHSFW-NSISKUIASA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001731463662 1204421453 /nfs/dbraw/zinc/42/14/53/1204421453.db2.gz UXOGPRFHENOXNY-BZULGWPFSA-N 0 3 310.869 3.453 20 30 DGEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C)s1 ZINC001731462541 1204421670 /nfs/dbraw/zinc/42/16/70/1204421670.db2.gz FLRXRQFXTLSFSO-GOOCMWNKSA-N 0 3 319.474 3.029 20 30 DGEDHN C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001731477339 1204425744 /nfs/dbraw/zinc/42/57/44/1204425744.db2.gz GFHKKXOVPGNASE-AFYVEPGGSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494607 1204432346 /nfs/dbraw/zinc/43/23/46/1204432346.db2.gz IYXHRARGPXSWNS-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494607 1204432347 /nfs/dbraw/zinc/43/23/47/1204432347.db2.gz IYXHRARGPXSWNS-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001731498564 1204434581 /nfs/dbraw/zinc/43/45/81/1204434581.db2.gz NSMQNZYODOGIGL-ABMFHFBKSA-N 0 3 312.457 3.494 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001731501278 1204435929 /nfs/dbraw/zinc/43/59/29/1204435929.db2.gz RCUCONRNRTTYGD-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CC(C)(C)CO1 ZINC001731538120 1204449297 /nfs/dbraw/zinc/44/92/97/1204449297.db2.gz WUCPLVJMPLEGOI-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN CCC(=CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1)CC ZINC001731587135 1204474052 /nfs/dbraw/zinc/47/40/52/1204474052.db2.gz VOUFDWWYUMOQSV-ZDUSSCGKSA-N 0 3 317.408 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001731688009 1204505231 /nfs/dbraw/zinc/50/52/31/1204505231.db2.gz LQTINTMVJGTUBA-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001731690168 1204506072 /nfs/dbraw/zinc/50/60/72/1204506072.db2.gz NVSWLJSKKCWZBD-ROUUACIJSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC001731694433 1204507894 /nfs/dbraw/zinc/50/78/94/1204507894.db2.gz JIJHFSKUOVHCHY-GJZGRUSLSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2ccn(C)c2c1 ZINC001731738134 1204529825 /nfs/dbraw/zinc/52/98/25/1204529825.db2.gz NLHLKUNVFSXPLZ-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2cnoc2C)CCCC1 ZINC001731741079 1204531306 /nfs/dbraw/zinc/53/13/06/1204531306.db2.gz MKAQTXGPDVRBKG-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2ccccc2CC)cc1 ZINC001731779979 1204551908 /nfs/dbraw/zinc/55/19/08/1204551908.db2.gz AUDGVUXAIHPHEJ-UHFFFAOYSA-N 0 3 320.436 3.092 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)CCc2ccccc2CC)C1 ZINC001731784354 1204556097 /nfs/dbraw/zinc/55/60/97/1204556097.db2.gz JYENWDZNXPLDFP-UHFFFAOYSA-N 0 3 314.473 3.196 20 30 DGEDHN C#CCCN(C)CCNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001731786080 1204557177 /nfs/dbraw/zinc/55/71/77/1204557177.db2.gz MTIRZAVUEKQFPY-SFHVURJKSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCCC(=O)NCCN(CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC001731800185 1204568347 /nfs/dbraw/zinc/56/83/47/1204568347.db2.gz UYSJJMJTTMLVFB-ZDUSSCGKSA-N 0 3 310.388 3.430 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)C)Cc1csc(C)c1 ZINC001731863373 1204608397 /nfs/dbraw/zinc/60/83/97/1204608397.db2.gz CBYBBQULZXNDTM-UHFFFAOYSA-N 0 3 306.475 3.044 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001731865624 1204610498 /nfs/dbraw/zinc/61/04/98/1204610498.db2.gz CHCZFKSHESTHBI-DAWZGUTISA-N 0 3 306.494 3.300 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001731878859 1204619532 /nfs/dbraw/zinc/61/95/32/1204619532.db2.gz BLKFTLIFCKQCCE-UHFFFAOYSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN(CCNC(=O)CC(C)(C)C(F)(F)F)C1CC1 ZINC001731884287 1204624536 /nfs/dbraw/zinc/62/45/36/1204624536.db2.gz IPOVXNMNSLZIJJ-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN CC[C@H](CC(=O)N(C)CCNCc1ccc(C#N)s1)C(C)C ZINC001731975145 1204638356 /nfs/dbraw/zinc/63/83/56/1204638356.db2.gz VKEJGJCNIDXQLB-CQSZACIVSA-N 0 3 321.490 3.240 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)C1CCC1 ZINC001732003957 1204645626 /nfs/dbraw/zinc/64/56/26/1204645626.db2.gz LZHRBTLDCKFTMR-UHFFFAOYSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(CC)cc1)c1ccccc1 ZINC001732027706 1204654151 /nfs/dbraw/zinc/65/41/51/1204654151.db2.gz XVPFQLFBRSEZPU-HXUWFJFHSA-N 0 3 320.436 3.333 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC001732027190 1204654397 /nfs/dbraw/zinc/65/43/97/1204654397.db2.gz QGQKOCKILPMUIN-YJBOKZPZSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001732084881 1204687779 /nfs/dbraw/zinc/68/77/79/1204687779.db2.gz YSLYHCRBMGZQOC-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)c(F)c1 ZINC001732147396 1204713274 /nfs/dbraw/zinc/71/32/74/1204713274.db2.gz YIIYEGBKTBEKII-KBPBESRZSA-N 0 3 322.811 3.344 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCCC ZINC001732147623 1204714962 /nfs/dbraw/zinc/71/49/62/1204714962.db2.gz SRIGYRKWGIIXRQ-ROUUACIJSA-N 0 3 304.478 3.436 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001732152213 1204715672 /nfs/dbraw/zinc/71/56/72/1204715672.db2.gz LGPAKAAEARDRPD-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001732158748 1204720467 /nfs/dbraw/zinc/72/04/67/1204720467.db2.gz PZSRMDYWSMOZGC-LJQANCHMSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001732168065 1204723585 /nfs/dbraw/zinc/72/35/85/1204723585.db2.gz HVQXHAMBAGFBKX-IRXDYDNUSA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1ccccc1F)C1CC1 ZINC001732240816 1204767212 /nfs/dbraw/zinc/76/72/12/1204767212.db2.gz NBPYZURNXZAPPU-GOSISDBHSA-N 0 3 304.409 3.166 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001732280714 1204778756 /nfs/dbraw/zinc/77/87/56/1204778756.db2.gz LWUGQIIJTODTJF-NUTQULCTSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCCC[C@H]2CC)cc1 ZINC001732316639 1204789129 /nfs/dbraw/zinc/78/91/29/1204789129.db2.gz AABVXAHUSZAPTH-MOPGFXCFSA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)CNCc1c(F)cccc1Cl ZINC001732337073 1204797179 /nfs/dbraw/zinc/79/71/79/1204797179.db2.gz AXFXKTRXYNSWQP-CYBMUJFWSA-N 0 3 324.827 3.125 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl)CC1 ZINC001732363917 1204807011 /nfs/dbraw/zinc/80/70/11/1204807011.db2.gz WKZKTHHFLYNFFG-OBTCNRAFSA-N 0 3 319.276 3.394 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@H](F)C2)CCCC1 ZINC001732392266 1204816446 /nfs/dbraw/zinc/81/64/46/1204816446.db2.gz IFYHCGHXZTZLDZ-KGLIPLIRSA-N 0 3 316.848 3.286 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CCCC1 ZINC001732393431 1204817498 /nfs/dbraw/zinc/81/74/98/1204817498.db2.gz PSZYQQRARJVVMO-ZIAGYGMSSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@H](C)CNCc1ccccc1Cl ZINC001732413914 1204829201 /nfs/dbraw/zinc/82/92/01/1204829201.db2.gz VXWBQKPJRPWUPJ-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN CN(C/C=C\Cl)CCC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001732546184 1204887099 /nfs/dbraw/zinc/88/70/99/1204887099.db2.gz CMWZZPVTWUVRMK-WZUFQYTHSA-N 0 3 324.896 3.349 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001732557434 1204895138 /nfs/dbraw/zinc/89/51/38/1204895138.db2.gz FOKIZHJBCMPBPJ-IBGZPJMESA-N 0 3 312.457 3.125 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1ncccc1C)C(C)C ZINC001732565220 1204899047 /nfs/dbraw/zinc/89/90/47/1204899047.db2.gz BWDLXGVJCLVLQN-APWZRJJASA-N 0 3 317.477 3.223 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2cc(C)ns2)C(C)C)C1 ZINC001732567664 1204900547 /nfs/dbraw/zinc/90/05/47/1204900547.db2.gz SSAFBWYSEPGCEA-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2cccc(C)c2)CCC1 ZINC001732588794 1204910996 /nfs/dbraw/zinc/91/09/96/1204910996.db2.gz WASWKRVDNUEQHQ-UHFFFAOYSA-N 0 3 314.473 3.383 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001732593025 1204915163 /nfs/dbraw/zinc/91/51/63/1204915163.db2.gz RYFZXOYMUQQRQU-QGZVFWFLSA-N 0 3 314.473 3.156 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001732908138 1204957961 /nfs/dbraw/zinc/95/79/61/1204957961.db2.gz BNOXPYGCKULXSM-ZBTAVZRMSA-N 0 3 312.457 3.102 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1=CCCCCC1 ZINC001732952126 1204963827 /nfs/dbraw/zinc/96/38/27/1204963827.db2.gz NSBVUZVTEXSRBS-QGZVFWFLSA-N 0 3 310.441 3.023 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001732968571 1204968012 /nfs/dbraw/zinc/96/80/12/1204968012.db2.gz RCQUSXOBLFPPIQ-SNVBAGLBSA-N 0 3 300.855 3.208 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CCCC1(C)C ZINC001732970147 1204968582 /nfs/dbraw/zinc/96/85/82/1204968582.db2.gz VEYIJSCSBOIOEJ-IUODEOHRSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1cccc(OC)c1 ZINC001733055389 1205007504 /nfs/dbraw/zinc/00/75/04/1205007504.db2.gz NZIBQQLDBHWTJF-DNVCBOLYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1sccc1Cl ZINC001733102563 1205024135 /nfs/dbraw/zinc/02/41/35/1205024135.db2.gz VSQIFVVTOCCMOJ-UHFFFAOYSA-N 0 3 307.246 3.206 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)c(CC)s1 ZINC001733145090 1205029600 /nfs/dbraw/zinc/02/96/00/1205029600.db2.gz QFBGRDAOAITBAS-UHFFFAOYSA-N 0 3 314.882 3.423 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1c(C)nsc1C)C1CC1 ZINC001733171244 1205033093 /nfs/dbraw/zinc/03/30/93/1205033093.db2.gz KSJYQMWPSYRLQY-INIZCTEOSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001733210063 1205044982 /nfs/dbraw/zinc/04/49/82/1205044982.db2.gz GVCACASVPDWEKH-LSDHHAIUSA-N 0 3 304.409 3.293 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccncc1C ZINC001733210574 1205045534 /nfs/dbraw/zinc/04/55/34/1205045534.db2.gz DTURDNWJAVVQLN-MRXNPFEDSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001733216607 1205047981 /nfs/dbraw/zinc/04/79/81/1205047981.db2.gz WXPJTAYSSLDHGG-STQMWFEESA-N 0 3 323.387 3.178 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001733215823 1205048006 /nfs/dbraw/zinc/04/80/06/1205048006.db2.gz QBGLTDCFVTUCLS-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001733216602 1205048231 /nfs/dbraw/zinc/04/82/31/1205048231.db2.gz WWKCVXMTANNRME-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001733218962 1205049783 /nfs/dbraw/zinc/04/97/83/1205049783.db2.gz IOBSISYQBMJMHN-QUCCMNQESA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001733229237 1205058766 /nfs/dbraw/zinc/05/87/66/1205058766.db2.gz VVFNQKUULYWCSZ-RHSMWYFYSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001733232731 1205060838 /nfs/dbraw/zinc/06/08/38/1205060838.db2.gz IVUFESFAAGBELJ-LRDDRELGSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001733238937 1205065260 /nfs/dbraw/zinc/06/52/60/1205065260.db2.gz WISIUCCTZRBXSU-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN CCc1ccc(CNC2(CNC(=O)C#CC(C)(C)C)CC2)cc1 ZINC001733242801 1205067315 /nfs/dbraw/zinc/06/73/15/1205067315.db2.gz KSZQJFMHWYKGSG-UHFFFAOYSA-N 0 3 312.457 3.037 20 30 DGEDHN CCCC[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001733243779 1205067321 /nfs/dbraw/zinc/06/73/21/1205067321.db2.gz QLPMXLCZFDKBGN-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCC(=CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)CC ZINC001733338625 1205099218 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C=CCN1CCC[C@@](C)(CNC(=O)c2occc2C(C)C)C1 ZINC001733464594 1205145060 /nfs/dbraw/zinc/14/50/60/1205145060.db2.gz YMSBPNUAROVETP-SFHVURJKSA-N 0 3 304.434 3.421 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(CC)CCCC2)C1 ZINC001733466234 1205146185 /nfs/dbraw/zinc/14/61/85/1205146185.db2.gz ZAJFKOBFSPFIDU-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN[C@H](CNC(=O)/C=C\c1ccc[nH]1)c1ccccc1CC ZINC001733518680 1205151860 /nfs/dbraw/zinc/15/18/60/1205151860.db2.gz PUDBHMQSPKCXJO-YAINUAMHSA-N 0 3 323.440 3.223 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)CCC1(C)CC1 ZINC001733570522 1205165404 /nfs/dbraw/zinc/16/54/04/1205165404.db2.gz BBUXFJXFBJBYFS-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C(C)(CC)CC ZINC001733573376 1205166075 /nfs/dbraw/zinc/16/60/75/1205166075.db2.gz YWLDIXAGQFVKQC-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)OCCCCCC)[C@@H]2C1 ZINC001733602151 1205171517 /nfs/dbraw/zinc/17/15/17/1205171517.db2.gz HLMMEFXRZZFONQ-FGTMMUONSA-N 0 3 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1081892772 /nfs/dbraw/zinc/89/27/72/1081892772.db2.gz AABMERVQUJRFDS-SQNIBIBYSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)C2 ZINC001109987910 1081942892 /nfs/dbraw/zinc/94/28/92/1081942892.db2.gz OPXZUMOPTDIGEQ-CRWXNKLISA-N 0 3 318.383 3.263 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1ccco1)C2 ZINC001109989712 1081943658 /nfs/dbraw/zinc/94/36/58/1081943658.db2.gz VQXYJYBMYHFTAB-FZKCQIBNSA-N 0 3 302.418 3.071 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](CC)CCC)C[C@H](C)O2 ZINC001111553182 1081950764 /nfs/dbraw/zinc/95/07/64/1081950764.db2.gz WTVOBPVKLGJNQR-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCCCC1)C2 ZINC001110056872 1081955918 /nfs/dbraw/zinc/95/59/18/1081955918.db2.gz PIGRJJWNDRQLDV-SQNIBIBYSA-N 0 3 302.462 3.092 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC001086539144 1081965682 /nfs/dbraw/zinc/96/56/82/1081965682.db2.gz QLRIGSMIPJWSMJ-HAQNSBGRSA-N 0 3 313.228 3.191 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)Cc1c(C)cccc1Cl ZINC001266565442 1082004187 /nfs/dbraw/zinc/00/41/87/1082004187.db2.gz YFCIVMAMNHDCJB-UHFFFAOYSA-N 0 3 320.864 3.042 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc2cc(C)ccc2n1 ZINC001266564899 1082004563 /nfs/dbraw/zinc/00/45/63/1082004563.db2.gz FFBSVGAYSTYLEI-UHFFFAOYSA-N 0 3 323.440 3.008 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C)c(Cl)c1 ZINC001266571307 1082012828 /nfs/dbraw/zinc/01/28/28/1082012828.db2.gz PHRWYGNKCNKHPU-UHFFFAOYSA-N 0 3 306.837 3.114 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cccc(Cl)c1Cl ZINC001266577519 1082020434 /nfs/dbraw/zinc/02/04/34/1082020434.db2.gz NRPWTAJQSLOMKV-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)Cc1ccccc1C ZINC001266579462 1082025206 /nfs/dbraw/zinc/02/52/06/1082025206.db2.gz PTQPLLJQOSNUSA-SFHVURJKSA-N 0 3 314.473 3.025 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2cccc(F)c2o1 ZINC001266579814 1082027100 /nfs/dbraw/zinc/02/71/00/1082027100.db2.gz ZAIVAQPUQOKCDK-UHFFFAOYSA-N 0 3 316.376 3.037 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc2ncccc21)C1CC1 ZINC001266604640 1082055118 /nfs/dbraw/zinc/05/51/18/1082055118.db2.gz MAAWHZZHYQLNBU-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN(CCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC001266604973 1082055457 /nfs/dbraw/zinc/05/54/57/1082055457.db2.gz XAWZDOMTTGAKTN-MSOLQXFVSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001112938547 1082057289 /nfs/dbraw/zinc/05/72/89/1082057289.db2.gz MNKFMOVTJDYRKG-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(Cl)cc1C)C1CC1 ZINC001266609835 1082064081 /nfs/dbraw/zinc/06/40/81/1082064081.db2.gz ZDVXISFCJKKTKK-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(CCC)c(C)s1)C1CC1 ZINC001266619405 1082084845 /nfs/dbraw/zinc/08/48/45/1082084845.db2.gz LMNHFLRWQUXXPD-UHFFFAOYSA-N 0 3 306.475 3.389 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001266625013 1082090920 /nfs/dbraw/zinc/09/09/20/1082090920.db2.gz VKFUJQXNRFEIJB-BRWVUGGUSA-N 0 3 320.864 3.245 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)c2ccn3ccccc23)CC1 ZINC001113090672 1082111652 /nfs/dbraw/zinc/11/16/52/1082111652.db2.gz LMQDFJXVRPIZNA-INIZCTEOSA-N 0 3 311.429 3.052 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001086581765 1082131121 /nfs/dbraw/zinc/13/11/21/1082131121.db2.gz MFFOEFQLYIRFBM-ZYSHUDEJSA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001266707938 1082158723 /nfs/dbraw/zinc/15/87/23/1082158723.db2.gz JKUCYCAGIXYSML-CALCHBBNSA-N 0 3 315.461 3.298 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC001113383487 1082192557 /nfs/dbraw/zinc/19/25/57/1082192557.db2.gz APJCUMGMVNHXFQ-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(F)c(Cl)c1 ZINC001266800298 1082223601 /nfs/dbraw/zinc/22/36/01/1082223601.db2.gz RXQPDGRFBDEEMF-UHFFFAOYSA-N 0 3 312.816 3.239 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001086595301 1082231092 /nfs/dbraw/zinc/23/10/92/1082231092.db2.gz VSGCMUFPXTUJPP-LSTHTHJFSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001266889867 1082306009 /nfs/dbraw/zinc/30/60/09/1082306009.db2.gz KOBADTPVJBVFSN-QZTJIDSGSA-N 0 3 302.462 3.212 20 30 DGEDHN CC#CCN1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001170299934 1082338395 /nfs/dbraw/zinc/33/83/95/1082338395.db2.gz HJBPVXHMHQSQAM-MRXNPFEDSA-N 0 3 320.477 3.367 20 30 DGEDHN Cc1cc(CNC2CCC(C#N)(c3ccccc3)CC2)nn1C ZINC001170359360 1082352367 /nfs/dbraw/zinc/35/23/67/1082352367.db2.gz SMUQMHDGAPQXNX-UHFFFAOYSA-N 0 3 308.429 3.222 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001480906577 1082376423 /nfs/dbraw/zinc/37/64/23/1082376423.db2.gz CFVRCPIQCAFVPW-HKUYNNGSSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1ccccc1OC1CC1 ZINC001266961028 1082378340 /nfs/dbraw/zinc/37/83/40/1082378340.db2.gz GRXKOYAMVIVINE-CQSZACIVSA-N 0 3 316.445 3.034 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001267055797 1082461116 /nfs/dbraw/zinc/46/11/16/1082461116.db2.gz PLDGRPOOJFQNBR-HPMVNELHSA-N 0 3 319.276 3.346 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1csc(C)n1 ZINC001170454387 1082480955 /nfs/dbraw/zinc/48/09/55/1082480955.db2.gz ZHLMSCUYRHZTBS-CQSZACIVSA-N 0 3 321.490 3.020 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC001267115383 1082533676 /nfs/dbraw/zinc/53/36/76/1082533676.db2.gz UUEVNLKCGWJLSG-FQEVSTJZSA-N 0 3 320.436 3.400 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001167573213 1082536901 /nfs/dbraw/zinc/53/69/01/1082536901.db2.gz HTAHIWXCWJYNMM-HZPDHXFCSA-N 0 3 324.896 3.441 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C)CCC(F)(F)CC1 ZINC001267134173 1082551684 /nfs/dbraw/zinc/55/16/84/1082551684.db2.gz RIMVBHRWCSBXRT-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN CC[C@@H]1CCC[C@@]1(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001130259141 1082559285 /nfs/dbraw/zinc/55/92/85/1082559285.db2.gz XCUQDQGDOMZHDY-CXAGYDPISA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(C)CCc1ccccc1NC1=C(C(=O)OCC)CNCC1 ZINC001170516506 1082616022 /nfs/dbraw/zinc/61/60/22/1082616022.db2.gz FBYPMYKNXULHFR-UHFFFAOYSA-N 0 3 314.429 3.418 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001267192169 1082620627 /nfs/dbraw/zinc/62/06/27/1082620627.db2.gz JNHLQBWPIWJNPR-SFHVURJKSA-N 0 3 316.420 3.055 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1c1ccccc1 ZINC001211563627 1082639503 /nfs/dbraw/zinc/63/95/03/1082639503.db2.gz ZCLSLVYLCBMBCW-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN CCCC[C@H](CC)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001131485447 1082680956 /nfs/dbraw/zinc/68/09/56/1082680956.db2.gz ZNFWLVQJHIFNRT-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCC(C)=O)CC[C@@H]1C ZINC001131804319 1082733840 /nfs/dbraw/zinc/73/38/40/1082733840.db2.gz XUHTVKFVBBFODE-WMZOPIPTSA-N 0 3 322.493 3.461 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](C)c1ccccc1C ZINC001267278417 1082741034 /nfs/dbraw/zinc/74/10/34/1082741034.db2.gz JSERDHBXJXEARO-IRXDYDNUSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001267280064 1082742334 /nfs/dbraw/zinc/74/23/34/1082742334.db2.gz QPMFSYCZNAELAJ-IRXDYDNUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001267298930 1082761447 /nfs/dbraw/zinc/76/14/47/1082761447.db2.gz TVILAOZKOJMYFI-AWEZNQCLSA-N 0 3 320.864 3.490 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131934532 1082765075 /nfs/dbraw/zinc/76/50/75/1082765075.db2.gz KSGPDBGAYJHHGX-HOTGVXAUSA-N 0 3 322.493 3.317 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001131973017 1082779667 /nfs/dbraw/zinc/77/96/67/1082779667.db2.gz XFSQTRCBJAZBGU-HKUYNNGSSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1cccc2cccnc21)C1CC1 ZINC001267323567 1082795010 /nfs/dbraw/zinc/79/50/10/1082795010.db2.gz XZIWUBKHOZBKFP-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN CC(C)C#CC(=O)NCCN([C@H](C)c1cccc(F)c1)C1CC1 ZINC001267325158 1082796646 /nfs/dbraw/zinc/79/66/46/1082796646.db2.gz CXRAXQYBTVLSKZ-OAHLLOKOSA-N 0 3 316.420 3.127 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC(C)C)CC[C@H]2C)cc1 ZINC001132016946 1082796827 /nfs/dbraw/zinc/79/68/27/1082796827.db2.gz LELZMTAOWFKXKH-IEBWSBKVSA-N 0 3 312.457 3.124 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC(C)C)CC[C@H]2C)cc1 ZINC001132016947 1082797157 /nfs/dbraw/zinc/79/71/57/1082797157.db2.gz LELZMTAOWFKXKH-MJGOQNOKSA-N 0 3 312.457 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132061147 1082804817 /nfs/dbraw/zinc/80/48/17/1082804817.db2.gz PGYBGQAIGBGHBI-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN Cc1ccc(C)c(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)c1 ZINC001132045801 1082805803 /nfs/dbraw/zinc/80/58/03/1082805803.db2.gz JAZRCPNUUFFXQR-XLIONFOSSA-N 0 3 324.468 3.186 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCCF)C1 ZINC001132079504 1082810254 /nfs/dbraw/zinc/81/02/54/1082810254.db2.gz ZLMGQDSVBFPKRX-YPMHNXCESA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cnc2ccccc2c1)C1CC1 ZINC001267333801 1082810674 /nfs/dbraw/zinc/81/06/74/1082810674.db2.gz NDRKTBBUPILQJT-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C1CC1 ZINC001267337186 1082814975 /nfs/dbraw/zinc/81/49/75/1082814975.db2.gz KFIJXGOTGDOWBY-CYBMUJFWSA-N 0 3 318.486 3.253 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC001267350729 1082827447 /nfs/dbraw/zinc/82/74/47/1082827447.db2.gz HSPREXSGPNJFFJ-CYBMUJFWSA-N 0 3 304.777 3.180 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cnco2)CC[C@@H]1C ZINC001132204846 1082841952 /nfs/dbraw/zinc/84/19/52/1082841952.db2.gz ZQACICYXIHZODR-GJZGRUSLSA-N 0 3 305.422 3.004 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cccc(C)c2)CC[C@H]1C ZINC001132206799 1082843606 /nfs/dbraw/zinc/84/36/06/1082843606.db2.gz NQXAFBBTIHJZBM-IEBWSBKVSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132252768 1082854810 /nfs/dbraw/zinc/85/48/10/1082854810.db2.gz KAVFVLDWADBJNS-DLBZAZTESA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132252770 1082855052 /nfs/dbraw/zinc/85/50/52/1082855052.db2.gz KAVFVLDWADBJNS-IRXDYDNUSA-N 0 3 310.482 3.129 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCOC(F)F)c([O-])c1 ZINC000588619650 1082865806 /nfs/dbraw/zinc/86/58/06/1082865806.db2.gz BAJYNQARIXJMGG-WQRHYEAKSA-N 0 3 300.349 3.287 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(CCOCCCC)C2)C1 ZINC001132288946 1082872142 /nfs/dbraw/zinc/87/21/42/1082872142.db2.gz ZLQOYYWYFOFFRX-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cscc2C)C1 ZINC001267454043 1082892786 /nfs/dbraw/zinc/89/27/86/1082892786.db2.gz JSCVGIKABWSGFK-OAHLLOKOSA-N 0 3 304.459 3.006 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(F)cc2F)CC[C@H]1C ZINC001132392255 1082896268 /nfs/dbraw/zinc/89/62/68/1082896268.db2.gz HKVCBEVOGYFKLQ-CZUORRHYSA-N 0 3 322.399 3.053 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc(C)c1 ZINC001087262649 1082902513 /nfs/dbraw/zinc/90/25/13/1082902513.db2.gz GQKYAJKAYBEUPJ-CEXWTWQISA-N 0 3 324.468 3.237 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(C)(C)[C@H]21 ZINC001087262651 1082903132 /nfs/dbraw/zinc/90/31/32/1082903132.db2.gz GQKYAJKAYBEUPJ-QRVBRYPASA-N 0 3 324.468 3.237 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@@H]1C ZINC001132505094 1082929080 /nfs/dbraw/zinc/92/90/80/1082929080.db2.gz OYPYRNFOIPVEAH-JKSUJKDBSA-N 0 3 306.494 3.441 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCOC)C2)CCCCC1 ZINC001132508293 1082930365 /nfs/dbraw/zinc/93/03/65/1082930365.db2.gz GVCCWPDIQOCQPC-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cc(C)sc2C)CC[C@@H]1C ZINC001132524490 1082934154 /nfs/dbraw/zinc/93/41/54/1082934154.db2.gz HSYISIVTFWRKKW-SUMWQHHRSA-N 0 3 320.502 3.453 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3CC)C(C)(C)[C@H]21 ZINC001087302348 1082972355 /nfs/dbraw/zinc/97/23/55/1082972355.db2.gz ROYBGECPYSHBLK-QRVBRYPASA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302241 1082972458 /nfs/dbraw/zinc/97/24/58/1082972458.db2.gz PNBVKEUOHLBMOT-NXHRZFHOSA-N 0 3 316.489 3.051 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001132659882 1082973304 /nfs/dbraw/zinc/97/33/04/1082973304.db2.gz FMNUTFXIYARFFH-YVEFUNNKSA-N 0 3 322.399 3.260 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(CC)cc3)C(C)(C)[C@H]21 ZINC001087315947 1082987491 /nfs/dbraw/zinc/98/74/91/1082987491.db2.gz KNWDWFIULYOXRN-QRVBRYPASA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)cc3C)C(C)(C)[C@@H]21 ZINC001087315549 1082987566 /nfs/dbraw/zinc/98/75/66/1082987566.db2.gz DOLBZRROZAPRIN-GUDVDZBRSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)c(C)c3)C(C)(C)[C@@H]21 ZINC001087316926 1082988717 /nfs/dbraw/zinc/98/87/17/1082988717.db2.gz ZKKDXTWSWUKAOV-GUDVDZBRSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 ZINC001267526644 1082989170 /nfs/dbraw/zinc/98/91/70/1082989170.db2.gz RUNGDHIWTGYADI-ZYKFHVCXSA-N 0 3 324.468 3.283 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccsc2C)C1 ZINC001267542338 1083009478 /nfs/dbraw/zinc/00/94/78/1083009478.db2.gz ULKAFLFGQFFSBC-HNNXBMFYSA-N 0 3 304.459 3.006 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267563544 1083044222 /nfs/dbraw/zinc/04/42/22/1083044222.db2.gz ZYAUEUBLDONSFF-LJQANCHMSA-N 0 3 324.468 3.079 20 30 DGEDHN C=CCCCC(=O)NCCNCc1cc(C(C)C)ccc1OC ZINC001133143480 1083059592 /nfs/dbraw/zinc/05/95/92/1083059592.db2.gz WLAWQPSADKXVKD-UHFFFAOYSA-N 0 3 318.461 3.381 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1CC[C@@H]1CC1(Cl)Cl ZINC001481031276 1083106007 /nfs/dbraw/zinc/10/60/07/1083106007.db2.gz VPJMCGMCDKLNNJ-OLZOCXBDSA-N 0 3 319.276 3.117 20 30 DGEDHN C=C1CCC(C(=O)NCCNCc2ccc(Cl)s2)CC1 ZINC001133369354 1083107111 /nfs/dbraw/zinc/10/71/11/1083107111.db2.gz USTKWEOVHHHSOA-UHFFFAOYSA-N 0 3 312.866 3.354 20 30 DGEDHN C=CCCC1(C(=O)NCCNCc2ccc(F)c(Cl)c2)CC1 ZINC001133376092 1083108444 /nfs/dbraw/zinc/10/84/44/1083108444.db2.gz WQQVLQMBKXTZAW-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCCC ZINC001133382498 1083111404 /nfs/dbraw/zinc/11/14/04/1083111404.db2.gz LRJAJFMXUPQSKI-UHFFFAOYSA-N 0 3 320.864 3.472 20 30 DGEDHN C#CCC1(C(=O)N2CCC(CN(C)CCF)CC2)CCCCC1 ZINC001267604349 1083163239 /nfs/dbraw/zinc/16/32/39/1083163239.db2.gz ZONBOPXKDQETTF-UHFFFAOYSA-N 0 3 322.468 3.100 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CCCCC ZINC001133691698 1083176171 /nfs/dbraw/zinc/17/61/71/1083176171.db2.gz CGAFSEZDCZYTJG-STQMWFEESA-N 0 3 319.287 3.348 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(C(C)C)nc1C ZINC001133888572 1083207625 /nfs/dbraw/zinc/20/76/25/1083207625.db2.gz KKRNKYGEMYMLPS-ZIAGYGMSSA-N 0 3 321.465 3.446 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001133887658 1083209765 /nfs/dbraw/zinc/20/97/65/1083209765.db2.gz AREJOHPUSHUUTG-OLZOCXBDSA-N 0 3 310.388 3.304 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc(C)c(C)cc1Cl ZINC001481144481 1083210862 /nfs/dbraw/zinc/21/08/62/1083210862.db2.gz WVVOFJOLKLGMEP-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)n(C(C)C)c1C ZINC001481154326 1083214571 /nfs/dbraw/zinc/21/45/71/1083214571.db2.gz RIIOBWXVNZOSNP-UHFFFAOYSA-N 0 3 317.477 3.151 20 30 DGEDHN Cc1ccccc1CN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267625690 1083227713 /nfs/dbraw/zinc/22/77/13/1083227713.db2.gz BCZWQVWSJNHBJW-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CCCCc2ccccc2)C1 ZINC001267629850 1083233148 /nfs/dbraw/zinc/23/31/48/1083233148.db2.gz NHHQDPQQNLTKOG-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN CC(C)=C(F)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134081604 1083238924 /nfs/dbraw/zinc/23/89/24/1083238924.db2.gz IQACXTKTKWHURF-UONOGXRCSA-N 0 3 317.408 3.195 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134119119 1083244912 /nfs/dbraw/zinc/24/49/12/1083244912.db2.gz LURRPVHVGKUQQF-KGLIPLIRSA-N 0 3 321.490 3.018 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134418701 1083287204 /nfs/dbraw/zinc/28/72/04/1083287204.db2.gz OBOWLCZFPSIUAA-KGLIPLIRSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCC(=C)Br ZINC001134469732 1083294506 /nfs/dbraw/zinc/29/45/06/1083294506.db2.gz HQNOSUGPJXPSRK-STQMWFEESA-N 0 3 317.271 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134454335 1083295279 /nfs/dbraw/zinc/29/52/79/1083295279.db2.gz VJJFHJGGYYZVNZ-CHWSQXEVSA-N 0 3 323.506 3.427 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001267763796 1083327360 /nfs/dbraw/zinc/32/73/60/1083327360.db2.gz LYODHQRSXJPABB-KRWDZBQOSA-N 0 3 318.486 3.201 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001267768979 1083331692 /nfs/dbraw/zinc/33/16/92/1083331692.db2.gz UEFUKQZKFPOZDT-GOSISDBHSA-N 0 3 314.473 3.494 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccccc2C)C1 ZINC001267772069 1083334884 /nfs/dbraw/zinc/33/48/84/1083334884.db2.gz AAABKLPNCCOAJW-DLBZAZTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001267776649 1083340424 /nfs/dbraw/zinc/34/04/24/1083340424.db2.gz LYGVURZFSLFFBJ-IRXDYDNUSA-N 0 3 324.509 3.184 20 30 DGEDHN CCCCCC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001267796292 1083352579 /nfs/dbraw/zinc/35/25/79/1083352579.db2.gz LZSGHJIVLFWIDV-GOSISDBHSA-N 0 3 300.446 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1scnc1C ZINC001267808758 1083357428 /nfs/dbraw/zinc/35/74/28/1083357428.db2.gz XSPAPDBQEZXSCO-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CCC(=C)CC1)C1CC1 ZINC001267858071 1083459356 /nfs/dbraw/zinc/45/93/56/1083459356.db2.gz LYRGSWVJPHKIQK-KRWDZBQOSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)Cc1ccco1)C1CC1 ZINC001267862440 1083468264 /nfs/dbraw/zinc/46/82/64/1083468264.db2.gz NCEBUAOANZQVEH-PXAZEXFGSA-N 0 3 324.852 3.085 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001267914627 1083561522 /nfs/dbraw/zinc/56/15/22/1083561522.db2.gz WXRMDHRFPBDBAT-TZMCWYRMSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)s1)C2 ZINC001111494317 1083581086 /nfs/dbraw/zinc/58/10/86/1083581086.db2.gz JTLUXFMTQIOIDO-UPJWGTAASA-N 0 3 308.422 3.189 20 30 DGEDHN CCN1CCCC[C@@H]1C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001181997314 1083600968 /nfs/dbraw/zinc/60/09/68/1083600968.db2.gz XQXUQTDQGHSDSD-HXUWFJFHSA-N 0 3 324.468 3.151 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@]2(C)CC=CCC2)cc1 ZINC001267937912 1083601724 /nfs/dbraw/zinc/60/17/24/1083601724.db2.gz CBQIEPCSQCHWJH-HXUWFJFHSA-N 0 3 310.441 3.162 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2C)cc1 ZINC001267937869 1083602147 /nfs/dbraw/zinc/60/21/47/1083602147.db2.gz AQWVHJSMDQKUCO-APWZRJJASA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@]2(C)CCC[C@@H]2CC)cc1 ZINC001267938488 1083604926 /nfs/dbraw/zinc/60/49/26/1083604926.db2.gz YFOPCKRUNPVWAZ-AZUAARDMSA-N 0 3 312.457 3.242 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001267956629 1083648141 /nfs/dbraw/zinc/64/81/41/1083648141.db2.gz LOYTYWIWOGUKDR-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001182415200 1083713503 /nfs/dbraw/zinc/71/35/03/1083713503.db2.gz UWCPGHSPTICPKN-LSDHHAIUSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2ccsc2)CCCC1 ZINC001481324803 1083768965 /nfs/dbraw/zinc/76/89/65/1083768965.db2.gz ARNQCVKIKWLXRI-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN CCNc1ccccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC001182763437 1083788813 /nfs/dbraw/zinc/78/88/13/1083788813.db2.gz GVWBJVOGGUZKAM-IBGZPJMESA-N 0 3 309.413 3.155 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1CCC1(F)F)c1ccccc1 ZINC001481365915 1083826659 /nfs/dbraw/zinc/82/66/59/1083826659.db2.gz TZTPUTYYNCIQPV-GJZGRUSLSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc(COC)c1)c1ccccc1 ZINC001481365409 1083826728 /nfs/dbraw/zinc/82/67/28/1083826728.db2.gz NVNOLSHTUHGVIT-LJQANCHMSA-N 0 3 324.424 3.080 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C(C)(C)C(F)F)c1ccccc1 ZINC001481370345 1083831150 /nfs/dbraw/zinc/83/11/50/1083831150.db2.gz BLQSPQVGFCIBOX-CQSZACIVSA-N 0 3 310.388 3.301 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1C[C@H]1CCC)c1ccccc1 ZINC001481371455 1083832467 /nfs/dbraw/zinc/83/24/67/1083832467.db2.gz WDIIAGBOGPYIJM-KZNAEPCWSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C2(CCCC)CC2)C[C@H]1c1ccccc1 ZINC001211669426 1083833000 /nfs/dbraw/zinc/83/30/00/1083833000.db2.gz ZWJIDWLAZJRKAW-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN CCC(=O)NCC1(NCC#Cc2ccccc2Cl)CCCC1 ZINC001268029800 1083864009 /nfs/dbraw/zinc/86/40/09/1083864009.db2.gz ZIFOECSHAURMCW-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)/C(C)=C\C)C1 ZINC001481508280 1084034198 /nfs/dbraw/zinc/03/41/98/1084034198.db2.gz HWHLLIBGXJNSHI-LLOGYHTPSA-N 0 3 324.468 3.469 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H](CC)CCC)CC1 ZINC001151374238 1084083216 /nfs/dbraw/zinc/08/32/16/1084083216.db2.gz CYORCKRAQRTYHE-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cccc(CC)c2)C1 ZINC001481532678 1084092753 /nfs/dbraw/zinc/09/27/53/1084092753.db2.gz QJMPAGCBNAOTNR-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001481537272 1084107892 /nfs/dbraw/zinc/10/78/92/1084107892.db2.gz WGSAJTXYGLZSBP-DIBVOSKASA-N 0 3 310.441 3.084 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](CNC[C@H](F)CC)CC(C)C)cc1 ZINC001268110690 1084182289 /nfs/dbraw/zinc/18/22/89/1084182289.db2.gz VWUAJXFMPROKEL-MSOLQXFVSA-N 0 3 318.436 3.150 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cncs1)C1CCCCC1 ZINC001268119012 1084199461 /nfs/dbraw/zinc/19/94/61/1084199461.db2.gz PIXZXNIICWERIT-MRXNPFEDSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCCN1CCCC[C@]12CC(=O)N(CCC(F)(F)F)C2 ZINC001273487521 1084211992 /nfs/dbraw/zinc/21/19/92/1084211992.db2.gz LVOPSKJQXMQZGF-OAHLLOKOSA-N 0 3 318.383 3.362 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001184900356 1084281273 /nfs/dbraw/zinc/28/12/73/1084281273.db2.gz RRJPLIFSVAHBMW-MRXNPFEDSA-N 0 3 304.459 3.022 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001268195007 1084305468 /nfs/dbraw/zinc/30/54/68/1084305468.db2.gz XXMKKEMVCJISHI-AWEZNQCLSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001185050638 1084321951 /nfs/dbraw/zinc/32/19/51/1084321951.db2.gz UJLSUXGSEPMDEV-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CNCc2nccs2)[C@H](C)C1 ZINC001185060938 1084325598 /nfs/dbraw/zinc/32/55/98/1084325598.db2.gz JUYUYEXZSHPVKO-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN CC(C)[C@@H](C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001268221421 1084351703 /nfs/dbraw/zinc/35/17/03/1084351703.db2.gz CNMFFRZJDDCNBG-IEBWSBKVSA-N 0 3 314.473 3.061 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1cnc(C)s1)C(C)C ZINC001268223097 1084351861 /nfs/dbraw/zinc/35/18/61/1084351861.db2.gz ZTJOXJSZDGFIND-HNNXBMFYSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)CCc1ccc(Cl)cc1 ZINC001268232516 1084373538 /nfs/dbraw/zinc/37/35/38/1084373538.db2.gz LQKHMAJPDFBGEK-UHFFFAOYSA-N 0 3 308.853 3.239 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1csc2cc(C)ccc21 ZINC001268238312 1084385809 /nfs/dbraw/zinc/38/58/09/1084385809.db2.gz AWLDIXHYLBJOPH-UHFFFAOYSA-N 0 3 314.454 3.237 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(OCCC)c1 ZINC001268239820 1084387650 /nfs/dbraw/zinc/38/76/50/1084387650.db2.gz RIQFJMRWOAFOMZ-UHFFFAOYSA-N 0 3 304.434 3.055 20 30 DGEDHN C#CCCCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001126339084 1084467898 /nfs/dbraw/zinc/46/78/98/1084467898.db2.gz PWQBUQRZFOKQLQ-UHFFFAOYSA-N 0 3 313.228 3.003 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCCC1 ZINC001481678058 1084471774 /nfs/dbraw/zinc/47/17/74/1084471774.db2.gz NUMBWOBACLIBSW-KBPBESRZSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001481679905 1084471935 /nfs/dbraw/zinc/47/19/35/1084471935.db2.gz ORWFEXUXKCRZGT-HUUJSLGLSA-N 0 3 324.468 3.432 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ccncc21 ZINC001481679456 1084472092 /nfs/dbraw/zinc/47/20/92/1084472092.db2.gz GNGYOYRTAOQKIM-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001279318398 1084528891 /nfs/dbraw/zinc/52/88/91/1084528891.db2.gz MLKKMZZHXOQNGT-MJGOQNOKSA-N 0 3 312.457 3.064 20 30 DGEDHN CC(C)CCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001185834588 1084536434 /nfs/dbraw/zinc/53/64/34/1084536434.db2.gz YMGGTSMDVGBSCQ-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC/C=C\c2ccccc2)C1 ZINC001481741879 1084560486 /nfs/dbraw/zinc/56/04/86/1084560486.db2.gz UZZQQDGHRDWYAY-ICEKFOEVSA-N 0 3 310.441 3.036 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001185960063 1084561745 /nfs/dbraw/zinc/56/17/45/1084561745.db2.gz RVRBMRRDHNNJMU-MRXNPFEDSA-N 0 3 304.409 3.119 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001186040022 1084581501 /nfs/dbraw/zinc/58/15/01/1084581501.db2.gz BERXABHYZLCIDK-QZTJIDSGSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001273515387 1084591911 /nfs/dbraw/zinc/59/19/11/1084591911.db2.gz UXHIVLCQHWZUSK-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1 ZINC001110378719 1084628718 /nfs/dbraw/zinc/62/87/18/1084628718.db2.gz DFAUYSLYNAKRJW-ZACQAIPSSA-N 0 3 318.486 3.368 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)(C)C)NCC#Cc1ccc(F)cc1 ZINC001481788524 1084638013 /nfs/dbraw/zinc/63/80/13/1084638013.db2.gz LYYJHEQMHWOINI-QGZVFWFLSA-N 0 3 318.436 3.098 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H]2CCCN(CCF)CC2)CC1 ZINC001186589598 1084677813 /nfs/dbraw/zinc/67/78/13/1084677813.db2.gz PZPLTJSLEVRMQV-MRXNPFEDSA-N 0 3 310.457 3.263 20 30 DGEDHN C=C[C@@H](C(=O)N(CC)CCNC/C=C\Cl)c1ccccc1 ZINC001268500289 1084733241 /nfs/dbraw/zinc/73/32/41/1084733241.db2.gz VTRMNERDOCAYSM-JXMNSVBMSA-N 0 3 306.837 3.147 20 30 DGEDHN C=C[C@@H](C(=O)N(CC)CCNC/C=C/Cl)c1ccccc1 ZINC001268500291 1084733795 /nfs/dbraw/zinc/73/37/95/1084733795.db2.gz VTRMNERDOCAYSM-YCABEKBOSA-N 0 3 306.837 3.147 20 30 DGEDHN C=CCCC(=O)N1CCC(CCNCc2ncc(C)s2)CC1 ZINC001481995367 1084754250 /nfs/dbraw/zinc/75/42/50/1084754250.db2.gz QMZMHTBXUYUBJC-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN CN(C)Cc1ccc(C(=O)Nc2c(C#N)ccc(F)c2F)cc1 ZINC001187295012 1084786293 /nfs/dbraw/zinc/78/62/93/1084786293.db2.gz JWUFJCZYDLOPBX-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H](C)c2ccco2)cc1 ZINC001482034784 1084786395 /nfs/dbraw/zinc/78/63/95/1084786395.db2.gz AWMLWRHLAVFBLN-MRXNPFEDSA-N 0 3 324.424 3.203 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001268615029 1084895479 /nfs/dbraw/zinc/89/54/79/1084895479.db2.gz USFHFWAXKZUHIL-ZBTAVZRMSA-N 0 3 312.457 3.102 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(C)cccc1Cl ZINC001498606922 1084900343 /nfs/dbraw/zinc/90/03/43/1084900343.db2.gz OSOIHVVZDPWXOW-UHFFFAOYSA-N 0 3 315.244 3.453 20 30 DGEDHN C[C@H](CNCC#Cc1cccc(Cl)c1)NC(=O)CC(C)(C)C ZINC001268637525 1084906353 /nfs/dbraw/zinc/90/63/53/1084906353.db2.gz JAAUDJSYJFCFRZ-CQSZACIVSA-N 0 3 320.864 3.222 20 30 DGEDHN CC1=C(C)C[C@H](C(=O)N[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001268646925 1084913396 /nfs/dbraw/zinc/91/33/96/1084913396.db2.gz KMBVSPOVVOPOLT-UYAOXDASSA-N 0 3 324.468 3.269 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)cc1 ZINC001268663916 1084926628 /nfs/dbraw/zinc/92/66/28/1084926628.db2.gz QRIAEBMYOXEKNN-QGZVFWFLSA-N 0 3 318.420 3.089 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](C)CNCc1cccnc1)c1ccccc1 ZINC001268674488 1084936125 /nfs/dbraw/zinc/93/61/25/1084936125.db2.gz MIQHXANDZIQHJO-APWZRJJASA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001268688187 1084946856 /nfs/dbraw/zinc/94/68/56/1084946856.db2.gz XTFOCEBVXCCWHU-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1ccccc1Cl ZINC001268699327 1084954464 /nfs/dbraw/zinc/95/44/64/1084954464.db2.gz JWKURYIOGYUUKF-AWEZNQCLSA-N 0 3 306.837 3.128 20 30 DGEDHN CCCCC1(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)CC1 ZINC001268702624 1084957115 /nfs/dbraw/zinc/95/71/15/1084957115.db2.gz BZNDSJKICCPELZ-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H](C)CNCc1cccnc1)c1ccccc1 ZINC001268716817 1084969469 /nfs/dbraw/zinc/96/94/69/1084969469.db2.gz MIQHXANDZIQHJO-QFBILLFUSA-N 0 3 323.440 3.036 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268728706 1084996375 /nfs/dbraw/zinc/99/63/75/1084996375.db2.gz IUEWKHRWWVRGFK-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001268951921 1085085183 /nfs/dbraw/zinc/08/51/83/1085085183.db2.gz JNESPEVGFSMWKI-LUKYLMHMSA-N 0 3 316.470 3.103 20 30 DGEDHN C=CC[C@@H](C)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001268966266 1085088380 /nfs/dbraw/zinc/08/83/80/1085088380.db2.gz KQCOCIZTQZAHQX-HZSPNIEDSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(F)c1 ZINC001268969881 1085090511 /nfs/dbraw/zinc/09/05/11/1085090511.db2.gz NTWKMWDMMDJISM-WBAXXEDZSA-N 0 3 316.420 3.388 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C)c1ccccc1 ZINC001268989106 1085095538 /nfs/dbraw/zinc/09/55/38/1085095538.db2.gz ZTSHYTWDVRWFCV-NEWSRXKRSA-N 0 3 312.457 3.287 20 30 DGEDHN C=CCOCCC(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001268988842 1085095937 /nfs/dbraw/zinc/09/59/37/1085095937.db2.gz QHAUATORHHKBQR-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](CN[C@H](C)c1ccccc1F)C1CC1 ZINC001269067086 1085111576 /nfs/dbraw/zinc/11/15/76/1085111576.db2.gz RKXAMPOGFHFTHG-RDTXWAMCSA-N 0 3 316.420 3.031 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001269260975 1085243672 /nfs/dbraw/zinc/24/36/72/1085243672.db2.gz MFTQHNCREKGATI-ZBFHGGJFSA-N 0 3 313.445 3.118 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001269324315 1085299477 /nfs/dbraw/zinc/29/94/77/1085299477.db2.gz JIQDAZMBSRAOIT-LJQANCHMSA-N 0 3 312.457 3.077 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCN1CC/C=C\CCC ZINC001269337664 1085314367 /nfs/dbraw/zinc/31/43/67/1085314367.db2.gz MQUJHLGNIHVCMU-PXDRNWIDSA-N 0 3 324.468 3.147 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001269356059 1085332773 /nfs/dbraw/zinc/33/27/73/1085332773.db2.gz MEJZGJQUGSRPLO-LSDHHAIUSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1cc(F)cc(F)c1 ZINC001269449039 1085391008 /nfs/dbraw/zinc/39/10/08/1085391008.db2.gz SGQCRCQTHBEYCJ-OAHLLOKOSA-N 0 3 310.388 3.161 20 30 DGEDHN CC[C@@H](CNC(=O)C[C@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001269449340 1085392239 /nfs/dbraw/zinc/39/22/39/1085392239.db2.gz YJEQDQJFSZGFHP-PMACEKPBSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3cncs3)CCCC2)C1 ZINC001482229275 1085445828 /nfs/dbraw/zinc/44/58/28/1085445828.db2.gz AUMZFDMVRAREDG-UHFFFAOYSA-N 0 3 319.474 3.018 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1occc1Cl)C1CC1 ZINC001269633673 1085505324 /nfs/dbraw/zinc/50/53/24/1085505324.db2.gz DDNOXUILLDVPJL-CQSZACIVSA-N 0 3 317.216 3.174 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001269607241 1085496142 /nfs/dbraw/zinc/49/61/42/1085496142.db2.gz XSSACBDDKPDNPN-WBTNSWJXSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccc[nH]2)CCCC[C@@H]1C ZINC001269658566 1085513322 /nfs/dbraw/zinc/51/33/22/1085513322.db2.gz QTYDHSVIYVMUAI-LRDDRELGSA-N 0 3 309.841 3.036 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C3(CC=C)CCCCC3)C2)C1 ZINC001269745241 1085551431 /nfs/dbraw/zinc/55/14/31/1085551431.db2.gz NLXTYZAFUNGBTK-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC2 ZINC001482244729 1085574582 /nfs/dbraw/zinc/57/45/82/1085574582.db2.gz FOIMSBUUACSGOM-IAGOWNOFSA-N 0 3 318.505 3.252 20 30 DGEDHN CC[C@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001482256894 1085643104 /nfs/dbraw/zinc/64/31/04/1085643104.db2.gz DAKHMVJIMFOSOE-LSDHHAIUSA-N 0 3 320.864 3.174 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2sccc2C2CC2)cc1 ZINC001270082229 1085682570 /nfs/dbraw/zinc/68/25/70/1085682570.db2.gz PVBOHDNCZUXDBV-UHFFFAOYSA-N 0 3 324.449 3.278 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCc1ncccc1C ZINC001270113055 1085696800 /nfs/dbraw/zinc/69/68/00/1085696800.db2.gz NTCGAJLBBWOJEB-IRXDYDNUSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001270195428 1085728706 /nfs/dbraw/zinc/72/87/06/1085728706.db2.gz FMHHEMVLLQSPJO-CYBMUJFWSA-N 0 3 317.260 3.080 20 30 DGEDHN C=C(C)CCC(=O)NC1(C)CCN(Cc2cnccc2C)CC1 ZINC001270231707 1085743221 /nfs/dbraw/zinc/74/32/21/1085743221.db2.gz JJOLKRUXNPHWNM-UHFFFAOYSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1ccc(C)cc1Cl ZINC001482276594 1085759133 /nfs/dbraw/zinc/75/91/33/1085759133.db2.gz VDFUHXMFTZNCGT-OAHLLOKOSA-N 0 3 320.864 3.388 20 30 DGEDHN C#CCN(C(=O)CC(C)(C)CC)C1CCN(CC(=C)C)CC1 ZINC001270315723 1085768558 /nfs/dbraw/zinc/76/85/58/1085768558.db2.gz WMIJOPFGZNFMDF-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN CCCCCCCN1CC[C@](C)(NC(=O)c2ccns2)C1 ZINC001270590994 1085874930 /nfs/dbraw/zinc/87/49/30/1085874930.db2.gz SKGCNEDTQVCWSZ-INIZCTEOSA-N 0 3 309.479 3.308 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001482321682 1085963265 /nfs/dbraw/zinc/96/32/65/1085963265.db2.gz OZFQFLVHKWWNRC-UONOGXRCSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001270748666 1085978859 /nfs/dbraw/zinc/97/88/59/1085978859.db2.gz FTHZWPNTXDLVBV-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](CCC)CC(C)C)CC2 ZINC001270870643 1086103057 /nfs/dbraw/zinc/10/30/57/1086103057.db2.gz NLSBZZSUOCVVSN-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001105391671 1086159780 /nfs/dbraw/zinc/15/97/80/1086159780.db2.gz ITFHZYZSKYJLPV-IDCODDLRSA-N 0 3 314.473 3.069 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001270948722 1086210078 /nfs/dbraw/zinc/21/00/78/1086210078.db2.gz WGQHSEYXURJJCE-HZPDHXFCSA-N 0 3 318.436 3.050 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001270973583 1086224982 /nfs/dbraw/zinc/22/49/82/1086224982.db2.gz CUXBBIPOVBUUBH-ROUUACIJSA-N 0 3 310.457 3.146 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001271008346 1086247037 /nfs/dbraw/zinc/24/70/37/1086247037.db2.gz VUNKIEQGYDDOBK-FQEVSTJZSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001271008545 1086248591 /nfs/dbraw/zinc/24/85/91/1086248591.db2.gz ZRZKMEKIVRLMAY-HXUWFJFHSA-N 0 3 314.473 3.250 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)[C@H]1CC ZINC001087661308 1086343933 /nfs/dbraw/zinc/34/39/33/1086343933.db2.gz CJEYEGZQHODMBB-LSDHHAIUSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)[C@H]1CC ZINC001087739911 1086387217 /nfs/dbraw/zinc/38/72/17/1086387217.db2.gz HATYKRYKMQAZOS-JKSUJKDBSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OCC)c(C)c2)[C@H]1CC ZINC001087747392 1086394788 /nfs/dbraw/zinc/39/47/88/1086394788.db2.gz YJFVCHPTIQBSQG-DLBZAZTESA-N 0 3 316.445 3.162 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1CC ZINC001087801399 1086414233 /nfs/dbraw/zinc/41/42/33/1086414233.db2.gz MRLSOUSICAVTEL-YTQUADARSA-N 0 3 312.457 3.091 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2nccs2)C1 ZINC001482468602 1086415270 /nfs/dbraw/zinc/41/52/70/1086415270.db2.gz LLUSFZOKOYNMMB-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2OC(C)C)[C@H]1CC ZINC001087805026 1086416868 /nfs/dbraw/zinc/41/68/68/1086416868.db2.gz KETREBJOIBUWOJ-DLBZAZTESA-N 0 3 316.445 3.243 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C(C)(C)C)CCN1Cc1ccc(C#N)cc1 ZINC001087805902 1086418019 /nfs/dbraw/zinc/41/80/19/1086418019.db2.gz BPVGRKREUPZAMY-DLBZAZTESA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1CC ZINC001087807175 1086420527 /nfs/dbraw/zinc/42/05/27/1086420527.db2.gz WEFGWZSTKRVMKY-ZBLKQVMWSA-N 0 3 316.489 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1CC ZINC001087814788 1086422177 /nfs/dbraw/zinc/42/21/77/1086422177.db2.gz ANCYYHHKZNQYPQ-FUHWJXTLSA-N 0 3 313.445 3.118 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cncc3ccccc32)[C@H]1CC ZINC001087838130 1086436973 /nfs/dbraw/zinc/43/69/73/1086436973.db2.gz UGBWVOJRKUYACS-ZWKOTPCHSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2cnc(C)o2)C1 ZINC001482476886 1086508481 /nfs/dbraw/zinc/50/84/81/1086508481.db2.gz YRACLULRULCJRV-ZBFHGGJFSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C)CCCCCC3)C[C@@H]2C1 ZINC001087996430 1086519907 /nfs/dbraw/zinc/51/99/07/1086519907.db2.gz QRQBDFXKCGRXKQ-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN[C@@H](CNC(=O)/C=C/c1ccco1)c1ccccc1CC ZINC001271439346 1086629267 /nfs/dbraw/zinc/62/92/67/1086629267.db2.gz RSWHPXXEAALEES-CVTTXWKISA-N 0 3 324.424 3.488 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C3(CC(C)C)CCCC3)C[C@]2(C)C1 ZINC001101395880 1086629526 /nfs/dbraw/zinc/62/95/26/1086629526.db2.gz VFYJOXWBOVRKRQ-MJGOQNOKSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(CF)CCC1)c1ccccc1CC ZINC001271446458 1086635205 /nfs/dbraw/zinc/63/52/05/1086635205.db2.gz NHWZNEDTYPUHPA-QGZVFWFLSA-N 0 3 318.436 3.322 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CCCCCC)C[C@]2(C)C1 ZINC001101400495 1086639841 /nfs/dbraw/zinc/63/98/41/1086639841.db2.gz YXKRGNPENZXHRE-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3c(C)cc(C)cc3C)C[C@@H]2C1 ZINC001088192121 1086650286 /nfs/dbraw/zinc/65/02/86/1086650286.db2.gz KPAPYMNOQLDHSE-MOPGFXCFSA-N 0 3 324.468 3.029 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccns1 ZINC001482494814 1086718335 /nfs/dbraw/zinc/71/83/35/1086718335.db2.gz YONQFSCNNYYQET-GOEBONIOSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C=C/c2ccco2)C1 ZINC001088254754 1086725558 /nfs/dbraw/zinc/72/55/58/1086725558.db2.gz WUUCDVKBRZZZMU-HVHJFMEUSA-N 0 3 322.836 3.406 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccc(C)n2C)C1 ZINC001088258102 1086728237 /nfs/dbraw/zinc/72/82/37/1086728237.db2.gz AXCKHBAYAFVUAT-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc[nH]c2C)C1 ZINC001088290125 1086767638 /nfs/dbraw/zinc/76/76/38/1086767638.db2.gz BLTSVHDMXXOEMC-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC001088302504 1086778401 /nfs/dbraw/zinc/77/84/01/1086778401.db2.gz CEEPZPUOMQDRJU-HLRDLLSLSA-N 0 3 321.852 3.141 20 30 DGEDHN CC(C)[C@H](CNC(=O)C#CC1CC1)N[C@@H](C)c1ccccc1F ZINC001482530430 1086780735 /nfs/dbraw/zinc/78/07/35/1086780735.db2.gz ZDGFWOPGUUQTFS-KSSFIOAISA-N 0 3 316.420 3.031 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C#CC1CC1)N[C@H](C)c1ccccc1F ZINC001482530431 1086781046 /nfs/dbraw/zinc/78/10/46/1086781046.db2.gz ZDGFWOPGUUQTFS-RDTXWAMCSA-N 0 3 316.420 3.031 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1cc(C)ns1)C(C)C ZINC001271877483 1086800747 /nfs/dbraw/zinc/80/07/47/1086800747.db2.gz KJQSODLZDWIOEF-HNNXBMFYSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](NCc2ccccn2)C(C)C)CC1 ZINC001271892822 1086814106 /nfs/dbraw/zinc/81/41/06/1086814106.db2.gz LTXYYNNJLHURSO-GOSISDBHSA-N 0 3 315.461 3.058 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCc2ccccn2)C1 ZINC001088359569 1086860044 /nfs/dbraw/zinc/86/00/44/1086860044.db2.gz BEWAWNSKQXAUIO-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001088396937 1086908807 /nfs/dbraw/zinc/90/88/07/1086908807.db2.gz VSJZOCQBLXMMJV-HRCADAONSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccccc1OCC)C(C)C ZINC001482567323 1086930954 /nfs/dbraw/zinc/93/09/54/1086930954.db2.gz GINBDUJIXYEUGZ-OAHLLOKOSA-N 0 3 324.852 3.182 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCC(C)C ZINC001272046828 1087028158 /nfs/dbraw/zinc/02/81/58/1087028158.db2.gz ZKAVERWWQUQYFT-ZWKOTPCHSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1cccc(CC)c1 ZINC001482600618 1087043048 /nfs/dbraw/zinc/04/30/48/1087043048.db2.gz VTRSJWWAFUXCSI-UHFFFAOYSA-N 0 3 302.462 3.496 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C)[C@@H](C)C1 ZINC001168202126 1087051701 /nfs/dbraw/zinc/05/17/01/1087051701.db2.gz QSKAZFDTEMOBQB-JBWWOZQKSA-N 0 3 319.493 3.284 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1ccc(C)cc1)C2 ZINC001098241523 1087062821 /nfs/dbraw/zinc/06/28/21/1087062821.db2.gz DJIRLMURYJJBSH-QRVBRYPASA-N 0 3 324.468 3.017 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001211967509 1087105023 /nfs/dbraw/zinc/10/50/23/1087105023.db2.gz KZWFBVPVYALESO-OIORMYRMSA-N 0 3 310.482 3.129 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@H]1C ZINC001088606381 1087130222 /nfs/dbraw/zinc/13/02/22/1087130222.db2.gz PNROIYLJDQUYLK-PBHICJAKSA-N 0 3 316.420 3.012 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](OC)C1 ZINC001212051422 1087145506 /nfs/dbraw/zinc/14/55/06/1087145506.db2.gz YQINIZKYFBFIDS-CSLLIFPHSA-N 0 3 324.509 3.375 20 30 DGEDHN C[C@@H](C(=O)NC/C=C/CNCc1cccc(C#N)c1)C(C)(C)C ZINC001483025012 1087239149 /nfs/dbraw/zinc/23/91/49/1087239149.db2.gz ZPZOLRVPAMNREB-NFAHFFEMSA-N 0 3 313.445 3.002 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccccc1C(C)(C)CC ZINC001483025949 1087242089 /nfs/dbraw/zinc/24/20/89/1087242089.db2.gz WFFFFHXEUNLFAV-ZHACJKMWSA-N 0 3 312.457 3.273 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CN[C@H](C)c1cccc(F)c1 ZINC001483048503 1087288276 /nfs/dbraw/zinc/28/82/76/1087288276.db2.gz TXXQUCPUUFRFMZ-KXPUMZMLSA-N 0 3 316.420 3.342 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2cc(F)ccc2C)C1 ZINC001483059215 1087312263 /nfs/dbraw/zinc/31/22/63/1087312263.db2.gz ZWYFCFOXPOVNKO-SNAWJCMRSA-N 0 3 316.420 3.252 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001483063724 1087322817 /nfs/dbraw/zinc/32/28/17/1087322817.db2.gz FBZNOOYWEHBYRU-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@H]1C ZINC001088722889 1087323401 /nfs/dbraw/zinc/32/34/01/1087323401.db2.gz NIPBSGHDNMKNLY-AEFFLSMTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)[C@H]1C ZINC001088751450 1087331800 /nfs/dbraw/zinc/33/18/00/1087331800.db2.gz PTAATAAXWWUOOA-BVGQSLNGSA-N 0 3 316.420 3.011 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001483115191 1087359490 /nfs/dbraw/zinc/35/94/90/1087359490.db2.gz XYPILPLFHPCUBX-BZNIZROVSA-N 0 3 308.372 3.013 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1C ZINC001088826907 1087394707 /nfs/dbraw/zinc/39/47/07/1087394707.db2.gz MRPHTFVNOHGHQO-ABAIWWIYSA-N 0 3 310.800 3.248 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccc(C)cc1Cl ZINC001483221399 1087427923 /nfs/dbraw/zinc/42/79/23/1087427923.db2.gz WZGKOHJKSWKYFE-HNNXBMFYSA-N 0 3 320.864 3.436 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212129412 1087436329 /nfs/dbraw/zinc/43/63/29/1087436329.db2.gz RLWBTLQBKCCVNT-HUUCEWRRSA-N 0 3 314.445 3.036 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1CCCCC1 ZINC001483304680 1087463932 /nfs/dbraw/zinc/46/39/32/1087463932.db2.gz RHJMOMJSZKBGBY-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001483392157 1087489928 /nfs/dbraw/zinc/48/99/28/1087489928.db2.gz SQAXNJAYEGNNOE-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483399228 1087491610 /nfs/dbraw/zinc/49/16/10/1087491610.db2.gz IZOSROZHTCPQGA-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCC(=O)N[C@H](CN[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC001483551338 1087522538 /nfs/dbraw/zinc/52/25/38/1087522538.db2.gz YMBFIQIJFTWLAM-SJKOYZFVSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001120414500 1087576980 /nfs/dbraw/zinc/57/69/80/1087576980.db2.gz WPCOQPCOGPETCU-HUUCEWRRSA-N 0 3 316.848 3.192 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCF)C1 ZINC001120414503 1087577050 /nfs/dbraw/zinc/57/70/50/1087577050.db2.gz WPCOQPCOGPETCU-LSDHHAIUSA-N 0 3 316.848 3.192 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2scnc2C(C)C)[C@H]1C ZINC001088907725 1087601932 /nfs/dbraw/zinc/60/19/32/1087601932.db2.gz KLQHBITWFRGCPV-OLZOCXBDSA-N 0 3 307.463 3.035 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@H]1C ZINC001088923719 1087605282 /nfs/dbraw/zinc/60/52/82/1087605282.db2.gz QEVHGQONRXBDHP-VBQJREDUSA-N 0 3 304.434 3.155 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001483655681 1087607303 /nfs/dbraw/zinc/60/73/03/1087607303.db2.gz RNLCSXGFYFYQFK-JSGCOSHPSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001483669281 1087616708 /nfs/dbraw/zinc/61/67/08/1087616708.db2.gz SMHGQXNKYFIXDB-MRXNPFEDSA-N 0 3 315.461 3.284 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)[C@H]1C ZINC001089013389 1087620069 /nfs/dbraw/zinc/62/00/69/1087620069.db2.gz QRRXQJMNMJAVQY-JLZZUVOBSA-N 0 3 318.848 3.135 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001483670258 1087622166 /nfs/dbraw/zinc/62/21/66/1087622166.db2.gz MHHUEYFYGJMARA-UONOGXRCSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)n(C(C)C)c2C)[C@H]1C ZINC001089029755 1087624587 /nfs/dbraw/zinc/62/45/87/1087624587.db2.gz RQLKDZRHYGHTIK-AEFFLSMTSA-N 0 3 317.477 3.455 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(CC(C)C)s2)[C@H]1C ZINC001089073613 1087631794 /nfs/dbraw/zinc/63/17/94/1087631794.db2.gz ONNIJUDXWMMDKW-KGLIPLIRSA-N 0 3 321.490 3.110 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](OCC)C(=C)C ZINC001099098217 1087631860 /nfs/dbraw/zinc/63/18/60/1087631860.db2.gz MCMUINRXFOFDFX-SJORKVTESA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC(F)F ZINC001099107342 1087645954 /nfs/dbraw/zinc/64/59/54/1087645954.db2.gz XXHHPFCHQPVQFV-CYBMUJFWSA-N 0 3 316.436 3.461 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)C(C)(F)F)C2 ZINC001121798974 1087716056 /nfs/dbraw/zinc/71/60/56/1087716056.db2.gz VLQQSUFZRMHGHD-ZWESNROVSA-N 0 3 320.811 3.047 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H]1CCN1CCC(C)C)c1ccccc1 ZINC001483704124 1087679731 /nfs/dbraw/zinc/67/97/31/1087679731.db2.gz FPBYUYXGSIUMOZ-MSOLQXFVSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001272456292 1087711514 /nfs/dbraw/zinc/71/15/14/1087711514.db2.gz DHFNYTDKXKRRLA-QWHCGFSZSA-N 0 3 320.811 3.003 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCCC1(F)F ZINC001158270751 1087753915 /nfs/dbraw/zinc/75/39/15/1087753915.db2.gz NRLUUORLMDYHRS-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](OCC)C1CCCC1 ZINC001158283251 1087757792 /nfs/dbraw/zinc/75/77/92/1087757792.db2.gz HFFGXVUNHUCZFS-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 ZINC001272575075 1087851015 /nfs/dbraw/zinc/85/10/15/1087851015.db2.gz WSNYUJDTIGITCS-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1csc(C(C)C)n1 ZINC001158605284 1087930128 /nfs/dbraw/zinc/93/01/28/1087930128.db2.gz TYBSCKZFMJLGSB-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCNCc1ccncc1Cl ZINC001158746864 1088004006 /nfs/dbraw/zinc/00/40/06/1088004006.db2.gz JSZKAULGIWLVRZ-UHFFFAOYSA-N 0 3 321.852 3.099 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(C)c1C ZINC001158811391 1088040272 /nfs/dbraw/zinc/04/02/72/1088040272.db2.gz GLRZYKCDPNXSOL-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C=C)c1ccccc1 ZINC001158913985 1088097604 /nfs/dbraw/zinc/09/76/04/1088097604.db2.gz IPUJKQANNUDAFJ-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccccc3Cl)CC2)C1=O ZINC001272601446 1088117490 /nfs/dbraw/zinc/11/74/90/1088117490.db2.gz RNEXRYDCQNIGGB-UHFFFAOYSA-N 0 3 318.848 3.341 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001153001101 1088133949 /nfs/dbraw/zinc/13/39/49/1088133949.db2.gz NVZHNOSKAQCNGM-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1C ZINC001153025295 1088145460 /nfs/dbraw/zinc/14/54/60/1088145460.db2.gz RAAZGWAZHGXJAO-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)c1ccco1 ZINC001099236459 1088229665 /nfs/dbraw/zinc/22/96/65/1088229665.db2.gz ZNOFHSUVYOSHKF-GJZGRUSLSA-N 0 3 304.434 3.176 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206116 1088308078 /nfs/dbraw/zinc/30/80/78/1088308078.db2.gz ITSWDUPLXIDAFF-IAGOWNOFSA-N 0 3 324.509 3.208 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cc(F)ccc3C)CC2)C1=O ZINC001272616617 1088320627 /nfs/dbraw/zinc/32/06/27/1088320627.db2.gz MJVSMFQYCMUHRU-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN N#CCc1ccccc1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001235512729 1088356122 /nfs/dbraw/zinc/35/61/22/1088356122.db2.gz UUTYGGZPZOEZEM-CQSZACIVSA-N 0 3 300.299 3.477 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccsc1C ZINC001099258897 1088358228 /nfs/dbraw/zinc/35/82/28/1088358228.db2.gz VOBKHNNRUQUDSH-INIZCTEOSA-N 0 3 320.502 3.392 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(Cl)nc2)CCCC1 ZINC001153814176 1088371357 /nfs/dbraw/zinc/37/13/57/1088371357.db2.gz ULKJDORTTRWBDR-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C=C2CCCCC2)CC1 ZINC001159507922 1088372428 /nfs/dbraw/zinc/37/24/28/1088372428.db2.gz UNPAQKFQQBFPJV-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001153945615 1088414774 /nfs/dbraw/zinc/41/47/74/1088414774.db2.gz QVYAWCBARDMRKP-OAHLLOKOSA-N 0 3 300.446 3.058 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)CC(C)(C)C1 ZINC001089393000 1088562966 /nfs/dbraw/zinc/56/29/66/1088562966.db2.gz AXGWELMXVXGMLV-MSOLQXFVSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)CC(C)(C)C1 ZINC001089429943 1088595349 /nfs/dbraw/zinc/59/53/49/1088595349.db2.gz GIECHJYIDSAUHS-OAHLLOKOSA-N 0 3 323.440 3.022 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1coc2c1cccc2C ZINC001160010811 1088599369 /nfs/dbraw/zinc/59/93/69/1088599369.db2.gz NKXWLDAFIABAET-UHFFFAOYSA-N 0 3 306.793 3.203 20 30 DGEDHN CN(C)c1ccnc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001160020486 1088604674 /nfs/dbraw/zinc/60/46/74/1088604674.db2.gz BEVVBHUHHVXYPL-UHFFFAOYSA-N 0 3 306.369 3.043 20 30 DGEDHN N#Cc1ccc(-c2ccccc2Nc2ccncc2CN)cc1 ZINC001160027462 1088609359 /nfs/dbraw/zinc/60/93/59/1088609359.db2.gz AHJGUDKMVUNBRC-UHFFFAOYSA-N 0 3 300.365 3.244 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2oc(CC)cc2C)CC(C)(C)C1 ZINC001089542023 1088723968 /nfs/dbraw/zinc/72/39/68/1088723968.db2.gz QNBIDHFKOVTKCA-OAHLLOKOSA-N 0 3 316.445 3.004 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2Cl)CC(C)(C)C1 ZINC001089544969 1088729458 /nfs/dbraw/zinc/72/94/58/1088729458.db2.gz DMGFKURALZAKEW-CQSZACIVSA-N 0 3 318.848 3.194 20 30 DGEDHN C=C(C)CCC(=O)NCCC1=CCN(CCOCC(C)C)CC1 ZINC001160264714 1088730504 /nfs/dbraw/zinc/73/05/04/1088730504.db2.gz YTSRNVPOYOQXKH-UHFFFAOYSA-N 0 3 322.493 3.154 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)CC(C)(C)C1 ZINC001089549225 1088734607 /nfs/dbraw/zinc/73/46/07/1088734607.db2.gz VRPFXRYEQKIFTR-KRWDZBQOSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)CC(C)(C)C1 ZINC001089551279 1088738362 /nfs/dbraw/zinc/73/83/62/1088738362.db2.gz FSUGVQLDLCOHJU-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN C=CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1scnc1C ZINC001089612674 1088816147 /nfs/dbraw/zinc/81/61/47/1088816147.db2.gz HUNWWGNPQZFVQG-AWEZNQCLSA-N 0 3 321.490 3.248 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1csnc1C ZINC001089628000 1088844795 /nfs/dbraw/zinc/84/47/95/1088844795.db2.gz FQUMRUCZHHVQEG-AWEZNQCLSA-N 0 3 321.490 3.248 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccns1 ZINC001089649983 1088912734 /nfs/dbraw/zinc/91/27/34/1088912734.db2.gz QSQTZUAUFSJVPC-AWEZNQCLSA-N 0 3 321.490 3.330 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001483816417 1088928439 /nfs/dbraw/zinc/92/84/39/1088928439.db2.gz ZFDGGDPMJXZNRX-INIZCTEOSA-N 0 3 324.896 3.488 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001483833702 1088935007 /nfs/dbraw/zinc/93/50/07/1088935007.db2.gz NRXRPYJORFDJPT-OALUTQOASA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)CCCCC(C)C)C2)CC1 ZINC001483836788 1088952258 /nfs/dbraw/zinc/95/22/58/1088952258.db2.gz LRYIWOCAMAAGQH-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCNCc1cc(F)ccc1Cl ZINC001272678849 1088976704 /nfs/dbraw/zinc/97/67/04/1088976704.db2.gz AKIKMZOPBUFJCX-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C\c1ccccc1F ZINC001160826649 1088984814 /nfs/dbraw/zinc/98/48/14/1088984814.db2.gz LJPSLKSRKFZHNY-DAXSKMNVSA-N 0 3 310.800 3.077 20 30 DGEDHN CCCCCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001483920390 1089003873 /nfs/dbraw/zinc/00/38/73/1089003873.db2.gz QWWBPPVBRIWAKC-AWEZNQCLSA-N 0 3 319.474 3.281 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1cc(C)ccc1F ZINC001483928699 1089034988 /nfs/dbraw/zinc/03/49/88/1089034988.db2.gz MGJMVEZVHLZPTB-KRWDZBQOSA-N 0 3 316.420 3.018 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001089659356 1089037484 /nfs/dbraw/zinc/03/74/84/1089037484.db2.gz YJZCYWLVSLURBZ-GNZRSQJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2ccc(F)cc2)nn1 ZINC001160957738 1089041779 /nfs/dbraw/zinc/04/17/79/1089041779.db2.gz QZROXERSYVBWII-INIZCTEOSA-N 0 3 312.392 3.345 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(F)c(F)c2F)CC1 ZINC001161043458 1089089264 /nfs/dbraw/zinc/08/92/64/1089089264.db2.gz DRXSRACULQJLKO-UHFFFAOYSA-N 0 3 324.346 3.042 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001089680134 1089133431 /nfs/dbraw/zinc/13/34/31/1089133431.db2.gz HBHZJWAQUHILAO-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001484074172 1089159762 /nfs/dbraw/zinc/15/97/62/1089159762.db2.gz PLZFUEQXOQMECD-KXBFYZLASA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001089690994 1089183001 /nfs/dbraw/zinc/18/30/01/1089183001.db2.gz HUVJMQFPEVNCIW-LBPRGKRZSA-N 0 3 309.841 3.075 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC001161314231 1089187069 /nfs/dbraw/zinc/18/70/69/1089187069.db2.gz POEDLXJISBLKBM-UHFFFAOYSA-N 0 3 324.346 3.042 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001155644589 1089196380 /nfs/dbraw/zinc/19/63/80/1089196380.db2.gz GMNSKWFHHRLOLR-QZTJIDSGSA-N 0 3 314.473 3.420 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cc(C(C)C)oc2C)CC1 ZINC001484145701 1089224217 /nfs/dbraw/zinc/22/42/17/1089224217.db2.gz ZETSDKIYJZRLPN-UHFFFAOYSA-N 0 3 316.445 3.177 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001089716367 1089288967 /nfs/dbraw/zinc/28/89/67/1089288967.db2.gz HAHOUPJOWCLPAX-CQSZACIVSA-N 0 3 320.433 3.085 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001161622003 1089317162 /nfs/dbraw/zinc/31/71/62/1089317162.db2.gz HUINYXMYGJTSEJ-MJGOQNOKSA-N 0 3 304.478 3.383 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CCCC2)C1 ZINC001089748699 1089326337 /nfs/dbraw/zinc/32/63/37/1089326337.db2.gz AHRZAWWYMCSBJX-QAETUUGQSA-N 0 3 322.880 3.098 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccnc1C)c1ccccc1CC ZINC001484322517 1089332589 /nfs/dbraw/zinc/33/25/89/1089332589.db2.gz GEQZMTCJGAHCOQ-LJQANCHMSA-N 0 3 323.440 3.199 20 30 DGEDHN CCC[C@H](C)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001161719572 1089366854 /nfs/dbraw/zinc/36/68/54/1089366854.db2.gz RGHFIOWOKPBELF-NWDGAFQWSA-N 0 3 304.394 3.026 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[C@H]1C ZINC001484398493 1089395526 /nfs/dbraw/zinc/39/55/26/1089395526.db2.gz AFQLXEREWULEJY-MJGOQNOKSA-N 0 3 312.457 3.064 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cccc(C)c2C)CC1 ZINC001161805220 1089411982 /nfs/dbraw/zinc/41/19/82/1089411982.db2.gz AEUARGQJXDQYQN-UHFFFAOYSA-N 0 3 310.441 3.079 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC1CC1 ZINC001089785796 1089422240 /nfs/dbraw/zinc/42/22/40/1089422240.db2.gz DHCRXWMJCBKWRO-YVSFHVDLSA-N 0 3 322.880 3.098 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001161834247 1089432159 /nfs/dbraw/zinc/43/21/59/1089432159.db2.gz FDIWPSYRVMZFJM-UHFFFAOYSA-N 0 3 309.413 3.106 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](CC)c1ccccc1 ZINC001484464959 1089434944 /nfs/dbraw/zinc/43/49/44/1089434944.db2.gz LRBRBEJMRSTBJD-YZGWKJHDSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC001161918658 1089469202 /nfs/dbraw/zinc/46/92/02/1089469202.db2.gz DCASSULMZVFLLN-GOSISDBHSA-N 0 3 324.468 3.027 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001161919630 1089471701 /nfs/dbraw/zinc/47/17/01/1089471701.db2.gz RCXUNVUUHQPCHW-HXUWFJFHSA-N 0 3 314.473 3.285 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cccc(C3CC3)c2)CC1 ZINC001161963741 1089494856 /nfs/dbraw/zinc/49/48/56/1089494856.db2.gz RENYVLGFTHOHFV-UHFFFAOYSA-N 0 3 322.452 3.339 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001161968327 1089497223 /nfs/dbraw/zinc/49/72/23/1089497223.db2.gz ORDZDHIBOWMZKN-UHFFFAOYSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001161968266 1089498068 /nfs/dbraw/zinc/49/80/68/1089498068.db2.gz MMONGLQSLSCRQL-SFHVURJKSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](CCC)C(C)C)C2)CC1 ZINC001484582287 1089517411 /nfs/dbraw/zinc/51/74/11/1089517411.db2.gz HAEZAGYJMCGIIX-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN CC(C)=CCN1CCc2c(CNC(=O)C#CC3CC3)cccc2C1 ZINC001484612780 1089531294 /nfs/dbraw/zinc/53/12/94/1089531294.db2.gz OPWLCOQAQRHKRB-UHFFFAOYSA-N 0 3 322.452 3.041 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cc(F)cc(F)c2)CCC1 ZINC001484646692 1089562026 /nfs/dbraw/zinc/56/20/26/1089562026.db2.gz SDHOLUVSDVQINM-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001484647117 1089562636 /nfs/dbraw/zinc/56/26/36/1089562636.db2.gz FQAOQTWERIJQJN-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C(C)(C)C ZINC001156540919 1089572823 /nfs/dbraw/zinc/57/28/23/1089572823.db2.gz KYCJJUHSUYNDCY-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C(F)F)cc2F)CCC1 ZINC001484655812 1089573181 /nfs/dbraw/zinc/57/31/81/1089573181.db2.gz CIDRAFWLUVRREC-UHFFFAOYSA-N 0 3 324.346 3.029 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001484721018 1089629349 /nfs/dbraw/zinc/62/93/49/1089629349.db2.gz ZBCPSLHLNCRKRY-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2cccs2)o1 ZINC001156682462 1089643906 /nfs/dbraw/zinc/64/39/06/1089643906.db2.gz ASRHEIALMYVXTB-CYBMUJFWSA-N 0 3 316.426 3.082 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001484767663 1089677098 /nfs/dbraw/zinc/67/70/98/1089677098.db2.gz NERKNODEMDUFCQ-HNNXBMFYSA-N 0 3 320.864 3.247 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)CCCC2 ZINC001156757751 1089681041 /nfs/dbraw/zinc/68/10/41/1089681041.db2.gz GKGWIJPUVIDXCL-MRXNPFEDSA-N 0 3 312.457 3.029 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1ccccc1Cl ZINC001156773383 1089688391 /nfs/dbraw/zinc/68/83/91/1089688391.db2.gz LUUSLLAFCWKPBJ-OAHLLOKOSA-N 0 3 320.864 3.123 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC(C)C ZINC001484822376 1089704487 /nfs/dbraw/zinc/70/44/87/1089704487.db2.gz PLFHKJSEXSVRJL-GOSISDBHSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCC=C(Cl)Cl)[C@@H](C)C1 ZINC001484889532 1089724610 /nfs/dbraw/zinc/72/46/10/1089724610.db2.gz NKANHAKYDQBIGW-RYUDHWBXSA-N 0 3 319.276 3.344 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001484941418 1089775480 /nfs/dbraw/zinc/77/54/80/1089775480.db2.gz HUPBUIHJFYMKRD-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001484965793 1089780504 /nfs/dbraw/zinc/78/05/04/1089780504.db2.gz 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/nfs/dbraw/zinc/89/47/03/1089894703.db2.gz AAFYTGXLMZLPDV-UKRRQHHQSA-N 0 3 318.852 3.090 20 30 DGEDHN C=CCc1c(Cl)ncnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162759285 1089929421 /nfs/dbraw/zinc/92/94/21/1089929421.db2.gz CCQZXJLASUGOHK-SNVBAGLBSA-N 0 3 313.792 3.217 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001485096480 1089951408 /nfs/dbraw/zinc/95/14/08/1089951408.db2.gz DCTUHBSQQICDDD-UHFFFAOYSA-N 0 3 310.869 3.194 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCC1CCC1 ZINC001485133364 1089967580 /nfs/dbraw/zinc/96/75/80/1089967580.db2.gz GZZTWGWLZHUWBS-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCNCCF)CCc1ccccc1 ZINC001162822359 1089979168 /nfs/dbraw/zinc/97/91/68/1089979168.db2.gz MSCZYCGGJGLGFY-UHFFFAOYSA-N 0 3 320.452 3.219 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2(C)CC2)C1 ZINC001089838825 1090002344 /nfs/dbraw/zinc/00/23/44/1090002344.db2.gz MUVSITKVBPWJRM-VGWMRTNUSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1(C)CC1 ZINC001089838822 1090003357 /nfs/dbraw/zinc/00/33/57/1090003357.db2.gz MUVSITKVBPWJRM-JJXSEGSLSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001485181081 1090006648 /nfs/dbraw/zinc/00/66/48/1090006648.db2.gz JGBHXXQUDVSHST-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485201930 1090015922 /nfs/dbraw/zinc/01/59/22/1090015922.db2.gz NMNMYSCXTLSOMI-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001157674540 1090067108 /nfs/dbraw/zinc/06/71/08/1090067108.db2.gz GZRULAAAILWRRS-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1cc2ccccc2o1 ZINC001485284284 1090067701 /nfs/dbraw/zinc/06/77/01/1090067701.db2.gz JXOJQZFTTIHIND-CQSZACIVSA-N 0 3 300.402 3.336 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2c(cccc2F)s1 ZINC001485382401 1090139085 /nfs/dbraw/zinc/13/90/85/1090139085.db2.gz KPJXPFYQQURUBH-NSHDSACASA-N 0 3 306.406 3.277 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C[C@H](C)SC)CCCCC1 ZINC001485450368 1090159106 /nfs/dbraw/zinc/15/91/06/1090159106.db2.gz AAJBYZVTKGOAIZ-ZDUSSCGKSA-N 0 3 318.914 3.289 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)C(C)(C)C1 ZINC001485583036 1090218103 /nfs/dbraw/zinc/21/81/03/1090218103.db2.gz KEGMQBUBMHAKIV-IPLHWJFFSA-N 0 3 312.457 3.411 20 30 DGEDHN N#CCc1ccc(Cl)cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163653864 1090224130 /nfs/dbraw/zinc/22/41/30/1090224130.db2.gz QSPKOTQFUNBXRQ-DLBZAZTESA-N 0 3 319.836 3.119 20 30 DGEDHN N=C(Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 ZINC001163684448 1090232586 /nfs/dbraw/zinc/23/25/86/1090232586.db2.gz XWLCAHLJYQUUKS-UHFFFAOYSA-N 0 3 308.259 3.471 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccn(CC)c1C ZINC001485735126 1090254352 /nfs/dbraw/zinc/25/43/52/1090254352.db2.gz CZLOLRYPLAPLKT-CYBMUJFWSA-N 0 3 311.857 3.057 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCCNCc2conc2C)CC1 ZINC001485736071 1090254689 /nfs/dbraw/zinc/25/46/89/1090254689.db2.gz DQYOFSBGRARJHQ-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN CCCc1cc(C#N)c(N2CCCN(CC)CC2)nc1Cl ZINC001163774644 1090256226 /nfs/dbraw/zinc/25/62/26/1090256226.db2.gz MPHOAGUDPBEXMU-UHFFFAOYSA-N 0 3 306.841 3.091 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001163856034 1090274317 /nfs/dbraw/zinc/27/43/17/1090274317.db2.gz ZALXSDCKSFRTKS-UHFFFAOYSA-N 0 3 321.465 3.305 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001163964391 1090301367 /nfs/dbraw/zinc/30/13/67/1090301367.db2.gz ZYAKFPOYOXIPPY-GFCCVEGCSA-N 0 3 310.388 3.334 20 30 DGEDHN C#CCCCCCC(=O)NCCCNCc1cccc(F)c1F ZINC001163969163 1090303042 /nfs/dbraw/zinc/30/30/42/1090303042.db2.gz AGSQDCRBIWULBY-UHFFFAOYSA-N 0 3 322.399 3.144 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2c[nH]c3c2cccc3C)C1=O ZINC001272724946 1090333706 /nfs/dbraw/zinc/33/37/06/1090333706.db2.gz RTIQFFRNEOIJKF-HXUWFJFHSA-N 0 3 323.440 3.229 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164223050 1090377236 /nfs/dbraw/zinc/37/72/36/1090377236.db2.gz PNOXGUMDDNVUHX-UONOGXRCSA-N 0 3 321.465 3.161 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164223048 1090377705 /nfs/dbraw/zinc/37/77/05/1090377705.db2.gz PNOXGUMDDNVUHX-KGLIPLIRSA-N 0 3 321.465 3.161 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001164494752 1090432358 /nfs/dbraw/zinc/43/23/58/1090432358.db2.gz QSEMNZQXNZBHPV-KBPBESRZSA-N 0 3 316.848 3.143 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001164661952 1090452067 /nfs/dbraw/zinc/45/20/67/1090452067.db2.gz ZWMCXBBXZACACX-INIZCTEOSA-N 0 3 310.869 3.361 20 30 DGEDHN CC(C)(C)N1CCN(c2ncccc2C#C[Si](C)(C)C)CC1 ZINC001165091702 1090464169 /nfs/dbraw/zinc/46/41/69/1090464169.db2.gz XQYFEWITLTVUDI-UHFFFAOYSA-N 0 3 315.537 3.231 20 30 DGEDHN Cc1cc(C#N)cc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)n1 ZINC001165203509 1090479833 /nfs/dbraw/zinc/47/98/33/1090479833.db2.gz XPEMCTKMLRRVQW-DLBZAZTESA-N 0 3 320.440 3.361 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864724 1090520330 /nfs/dbraw/zinc/52/03/30/1090520330.db2.gz YXRITEUYLMQAIY-APWZRJJASA-N 0 3 322.493 3.295 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001165535286 1090529132 /nfs/dbraw/zinc/52/91/32/1090529132.db2.gz IORIWTBPAQPHEB-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1c(C)cc(C)cc1C ZINC001165702032 1090539858 /nfs/dbraw/zinc/53/98/58/1090539858.db2.gz DMSPXGMRSJCNQY-UHFFFAOYSA-N 0 3 308.853 3.003 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001165764450 1090546878 /nfs/dbraw/zinc/54/68/78/1090546878.db2.gz QMOGSSXGRKVCBO-CYBMUJFWSA-N 0 3 300.874 3.297 20 30 DGEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1ccc(C)[nH]1)CC2 ZINC001272764139 1090559390 /nfs/dbraw/zinc/55/93/90/1090559390.db2.gz OIULJOQHCVEHBY-UHFFFAOYSA-N 0 3 315.461 3.104 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2nc(C)c(C)s2)CCC1 ZINC001165977689 1090566432 /nfs/dbraw/zinc/56/64/32/1090566432.db2.gz DKBOWMBVXDPBLX-UHFFFAOYSA-N 0 3 321.490 3.102 20 30 DGEDHN C=CCC1(C(=O)NCCCNCC=C(Cl)Cl)CCC1 ZINC001165978144 1090566836 /nfs/dbraw/zinc/56/68/36/1090566836.db2.gz QSNDQLZXRJVYSG-UHFFFAOYSA-N 0 3 305.249 3.148 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1nc(C)sc1C ZINC001272803304 1090589068 /nfs/dbraw/zinc/58/90/68/1090589068.db2.gz QOYFCRBZWLMAQN-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCNCc2cc(Cl)ccc2F)C1 ZINC001166249371 1090592622 /nfs/dbraw/zinc/59/26/22/1090592622.db2.gz STBUDFHXMMXQGY-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CCC)CC(C)C)C2)CC1 ZINC001272825591 1090646472 /nfs/dbraw/zinc/64/64/72/1090646472.db2.gz HLTUYGRGDHUAQK-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cc(C)cs2)C1=O ZINC001272872327 1090662572 /nfs/dbraw/zinc/66/25/72/1090662572.db2.gz LWKAVTOURORASC-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2cc(C)ccc2F)CCC1 ZINC001280475280 1090676580 /nfs/dbraw/zinc/67/65/80/1090676580.db2.gz VTQZSRXTQHEDPX-UHFFFAOYSA-N 0 3 316.420 3.066 20 30 DGEDHN CCC[C@@H](C)CCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001128153522 1090699198 /nfs/dbraw/zinc/69/91/98/1090699198.db2.gz ZROSXSPVVKNISI-CQSZACIVSA-N 0 3 321.490 3.432 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CCc1ccc(C)cc1C ZINC001272936699 1090706669 /nfs/dbraw/zinc/70/66/69/1090706669.db2.gz OOYCSQFACAELCX-INIZCTEOSA-N 0 3 322.880 3.473 20 30 DGEDHN CC[C@H](C)C(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001485847650 1090707483 /nfs/dbraw/zinc/70/74/83/1090707483.db2.gz MCIFLPFDYAMFQC-GJZGRUSLSA-N 0 3 320.864 3.174 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(CCC)CC2)C12CCC2 ZINC001203396424 1090729485 /nfs/dbraw/zinc/72/94/85/1090729485.db2.gz UNQGSQRJLCXYTF-KBPBESRZSA-N 0 3 310.869 3.336 20 30 DGEDHN CC[C@H](C)CCCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001128158239 1090740797 /nfs/dbraw/zinc/74/07/97/1090740797.db2.gz CYOCXPNLUHGCNE-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN CC(C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001486099159 1090747367 /nfs/dbraw/zinc/74/73/67/1090747367.db2.gz CCJDGDHTXVQVLV-ZIAGYGMSSA-N 0 3 319.474 3.135 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558647 1090755740 /nfs/dbraw/zinc/75/57/40/1090755740.db2.gz SGUOPLMIQPTQRG-KRWDZBQOSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203558647 1090755744 /nfs/dbraw/zinc/75/57/44/1090755744.db2.gz SGUOPLMIQPTQRG-KRWDZBQOSA-N 0 3 308.381 3.307 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC001486130424 1090757699 /nfs/dbraw/zinc/75/76/99/1090757699.db2.gz NUEQPOULOAPZLZ-CZUORRHYSA-N 0 3 312.438 3.117 20 30 DGEDHN COc1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1O ZINC001203584655 1090761785 /nfs/dbraw/zinc/76/17/85/1090761785.db2.gz GLDIAIVOJBRRBA-UHFFFAOYSA-N 0 3 322.408 3.458 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@@H]12 ZINC001486156744 1090767812 /nfs/dbraw/zinc/76/78/12/1090767812.db2.gz WPIYVVCPZNKNHG-QFUCXCTJSA-N 0 3 324.468 3.002 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@@H]12 ZINC001486156747 1090768093 /nfs/dbraw/zinc/76/80/93/1090768093.db2.gz WPIYVVCPZNKNHG-YFVAEKQCSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(C)cc2)[C@H]1C ZINC001486175078 1090775255 /nfs/dbraw/zinc/77/52/55/1090775255.db2.gz BMTSHIKOYGEHSM-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccccc2C)[C@@H]1C ZINC001486182294 1090779911 /nfs/dbraw/zinc/77/99/11/1090779911.db2.gz VORYKWDPZOCYOE-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)c(C)c1C ZINC001203715096 1090788249 /nfs/dbraw/zinc/78/82/49/1090788249.db2.gz AJWPTFKAYOCBIC-INIZCTEOSA-N 0 3 303.427 3.086 20 30 DGEDHN COc1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)c(C)c1C ZINC001203715096 1090788252 /nfs/dbraw/zinc/78/82/52/1090788252.db2.gz AJWPTFKAYOCBIC-INIZCTEOSA-N 0 3 303.427 3.086 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1 ZINC001203764526 1090800242 /nfs/dbraw/zinc/80/02/42/1090800242.db2.gz SKMFUCYNJQEDPA-HXUWFJFHSA-N 0 3 317.392 3.473 20 30 DGEDHN CC(C)c1noc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC001203764217 1090800585 /nfs/dbraw/zinc/80/05/85/1090800585.db2.gz FGXHKXYDRULGLK-MRXNPFEDSA-N 0 3 310.401 3.444 20 30 DGEDHN N#Cc1cccc(CN2CCCN(c3ccc(F)cc3)CC2)c1 ZINC001203765229 1090800993 /nfs/dbraw/zinc/80/09/93/1090800993.db2.gz WFGXHHGMGJJCNA-UHFFFAOYSA-N 0 3 309.388 3.410 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(C)c(OC)c(C)c1)C(C)C ZINC001486368939 1090810881 /nfs/dbraw/zinc/81/08/81/1090810881.db2.gz COZGEDPDUVSORY-UHFFFAOYSA-N 0 3 318.461 3.280 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(C#N)cc1)C2 ZINC001203903109 1090834016 /nfs/dbraw/zinc/83/40/16/1090834016.db2.gz QAIHLALXGWOORQ-FQEVSTJZSA-N 0 3 323.440 3.091 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001486438649 1090836212 /nfs/dbraw/zinc/83/62/12/1090836212.db2.gz TVPZHLMLZRVEIE-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C=C(CC)CC)CC[C@H]1C(F)(F)F ZINC001486451314 1090839793 /nfs/dbraw/zinc/83/97/93/1090839793.db2.gz MEJHJXHOXQMKCO-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)C(C)(F)F)c(F)c1 ZINC001486524845 1090868814 /nfs/dbraw/zinc/86/88/14/1090868814.db2.gz OXLCWIXJVVTFHE-NSHDSACASA-N 0 3 314.351 3.009 20 30 DGEDHN C#CCOc1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1 ZINC001204102767 1090903010 /nfs/dbraw/zinc/90/30/10/1090903010.db2.gz DZBXTMWYDREOBQ-UHFFFAOYSA-N 0 3 318.376 3.242 20 30 DGEDHN N#Cc1ccc(CC2CC[NH+](Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001204278341 1090939386 /nfs/dbraw/zinc/93/93/86/1090939386.db2.gz DUPCXPQKROSMLL-UHFFFAOYSA-N 0 3 322.408 3.424 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(Cl)ccc1C ZINC001168723157 1090994100 /nfs/dbraw/zinc/99/41/00/1090994100.db2.gz FNGCKEPIWICGJA-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C)c(C)c2)C1=O ZINC001272987397 1090966543 /nfs/dbraw/zinc/96/65/43/1090966543.db2.gz ARDVAFRZDZARNY-HXUWFJFHSA-N 0 3 312.457 3.446 20 30 DGEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc(CC)o1)CC2 ZINC001273000165 1090979815 /nfs/dbraw/zinc/97/98/15/1090979815.db2.gz ULLIYOGQHYXGFR-KRWDZBQOSA-N 0 3 316.445 3.136 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001276469018 1090983594 /nfs/dbraw/zinc/98/35/94/1090983594.db2.gz QMLUHYZJDJWNHJ-MRXNPFEDSA-N 0 3 312.457 3.039 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(C)c(C)o1)C2 ZINC001204532969 1090992969 /nfs/dbraw/zinc/99/29/69/1090992969.db2.gz GKQCTZTZAVPYBD-IBGZPJMESA-N 0 3 316.445 3.430 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3cccc(C#N)c3)c2)CC1 ZINC001204537095 1090994594 /nfs/dbraw/zinc/99/45/94/1090994594.db2.gz DFJIGFVEZSFLTB-UHFFFAOYSA-N 0 3 306.413 3.049 20 30 DGEDHN Cc1ccc(Nc2cccc(CN3CCN(C)CC3)c2)c(C#N)c1 ZINC001204538270 1090995302 /nfs/dbraw/zinc/99/53/02/1090995302.db2.gz YOCIVFVMZQENQF-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3csc(C#N)c3)cc2)CC1 ZINC001204740225 1091026793 /nfs/dbraw/zinc/02/67/93/1091026793.db2.gz CGVJXGAJQZSCLX-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccc(C#N)cc3)cc2)CC1 ZINC001204746821 1091027954 /nfs/dbraw/zinc/02/79/54/1091027954.db2.gz FGALTFYUKFQGMF-UHFFFAOYSA-N 0 3 306.413 3.049 20 30 DGEDHN Cc1ccc(C#N)cc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001204750987 1091030016 /nfs/dbraw/zinc/03/00/16/1091030016.db2.gz GZKSRRJDRHKRIV-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN N#Cc1ccc(-c2noc([C@@H]3CCNC[C@@H]3F)n2)c2ccccc12 ZINC001205220735 1091134765 /nfs/dbraw/zinc/13/47/65/1091134765.db2.gz ZMZJPDURHYVSRP-CVEARBPZSA-N 0 3 322.343 3.176 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108143577 1091142485 /nfs/dbraw/zinc/14/24/85/1091142485.db2.gz BXGFLYRQNLHBOW-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN CC(=O)[C@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138336431 1091145471 /nfs/dbraw/zinc/14/54/71/1091145471.db2.gz SIHCYUWUEUJRHN-NRFANRHFSA-N 0 3 303.405 3.497 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108148863 1091153957 /nfs/dbraw/zinc/15/39/57/1091153957.db2.gz OZFKWRBMQUACJS-QFBILLFUSA-N 0 3 324.509 3.232 20 30 DGEDHN COc1ccc(Cl)cc1CN1CCC2SC(=O)C=C2C1 ZINC001138478180 1091198856 /nfs/dbraw/zinc/19/88/56/1091198856.db2.gz CZFSMQYBJYPWDO-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ncccc2C)CCC1 ZINC001273142375 1091215055 /nfs/dbraw/zinc/21/50/55/1091215055.db2.gz ZOZDHRLZQUKVOU-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1[O-] ZINC001138631724 1091263031 /nfs/dbraw/zinc/26/30/31/1091263031.db2.gz ZUTBLDYOBSNTGQ-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1[O-] ZINC001138631724 1091263042 /nfs/dbraw/zinc/26/30/42/1091263042.db2.gz ZUTBLDYOBSNTGQ-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC001138629550 1091263952 /nfs/dbraw/zinc/26/39/52/1091263952.db2.gz CSDKTKXJZSGHSI-GOSISDBHSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC001138629550 1091263956 /nfs/dbraw/zinc/26/39/56/1091263956.db2.gz CSDKTKXJZSGHSI-GOSISDBHSA-N 0 3 310.397 3.169 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCN2CCCC[C@@H]2C1 ZINC001138664103 1091279616 /nfs/dbraw/zinc/27/96/16/1091279616.db2.gz ITWLPRDAKJFOOR-GOSISDBHSA-N 0 3 300.446 3.312 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@H](C(=O)OC)[C@H]1C ZINC001138665511 1091280377 /nfs/dbraw/zinc/28/03/77/1091280377.db2.gz NWOCRWHWLYXABU-WBVHZDCISA-N 0 3 317.429 3.415 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC[C@H](C(=O)OCC)C1 ZINC001138665807 1091282225 /nfs/dbraw/zinc/28/22/25/1091282225.db2.gz WTMOTURUEUCEIN-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CCC1 ZINC001273166673 1091309547 /nfs/dbraw/zinc/30/95/47/1091309547.db2.gz RJYHMUASGTXQBW-YJBOKZPZSA-N 0 3 304.478 3.101 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC001273182069 1091344715 /nfs/dbraw/zinc/34/47/15/1091344715.db2.gz QTCLBAOAOZFQPI-KRWDZBQOSA-N 0 3 323.440 3.072 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC001273182281 1091347337 /nfs/dbraw/zinc/34/73/37/1091347337.db2.gz ZKFQUCSUVIVUAD-UHFFFAOYSA-N 0 3 323.440 3.168 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(=O)OC)CC1 ZINC001139031038 1091424758 /nfs/dbraw/zinc/42/47/58/1091424758.db2.gz QCPJOEGMFNISRA-OAHLLOKOSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001165531749 1091427635 /nfs/dbraw/zinc/42/76/35/1091427635.db2.gz XAYCAEKMMHTUDM-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001084341513 1091475078 /nfs/dbraw/zinc/47/50/78/1091475078.db2.gz QIYWICXUTLUHAN-BRWVUGGUSA-N 0 3 302.462 3.066 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(C)(C)C ZINC001206078385 1091483330 /nfs/dbraw/zinc/48/33/30/1091483330.db2.gz VLLUNHMPAPQRTC-GOSISDBHSA-N 0 3 311.429 3.078 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(CC[C@H](C)F)C[C@H]21 ZINC001084372160 1091483822 /nfs/dbraw/zinc/48/38/22/1091483822.db2.gz IZKFYHOXXMGWFE-IACUBPJLSA-N 0 3 316.848 3.046 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ccc(CC)s3)[C@@H]2C1 ZINC001084495258 1091494857 /nfs/dbraw/zinc/49/48/57/1091494857.db2.gz NOXDMXTTYHAPRR-GDBMZVCRSA-N 0 3 318.486 3.423 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4cc(O)ccc4c3)CCC2S1 ZINC001139336474 1091522702 /nfs/dbraw/zinc/52/27/02/1091522702.db2.gz PPZXUQICXFDZGE-KRWDZBQOSA-N 0 3 311.406 3.320 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108193745 1091524825 /nfs/dbraw/zinc/52/48/25/1091524825.db2.gz NKTOABXAFMQVJG-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108193814 1091551310 /nfs/dbraw/zinc/55/13/10/1091551310.db2.gz NKTOABXAFMQVJG-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CC1CCN(Cc2c3ccccc3[nH]c2C(=O)OCC)CC1 ZINC001139463252 1091566095 /nfs/dbraw/zinc/56/60/95/1091566095.db2.gz SJPDRVSRNIRUJF-UHFFFAOYSA-N 0 3 310.397 3.190 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)s3)[C@@H]2C1 ZINC001084811909 1091576812 /nfs/dbraw/zinc/57/68/12/1091576812.db2.gz FVRYAZJXCRQCMD-VXGBXAGGSA-N 0 3 310.850 3.124 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001098931819 1091625049 /nfs/dbraw/zinc/62/50/49/1091625049.db2.gz FCKWUAYNAHMUBR-LPHOPBHVSA-N 0 3 316.445 3.365 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC=CCCC3)C[C@@H]21 ZINC001084969443 1091627860 /nfs/dbraw/zinc/62/78/60/1091627860.db2.gz JCQJPWHCKLXEBU-SQNIBIBYSA-N 0 3 302.462 3.232 20 30 DGEDHN CCCCCCN1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC001139651259 1091635608 /nfs/dbraw/zinc/63/56/08/1091635608.db2.gz NOXZXLPGXLCGAR-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001202960444 1091642711 /nfs/dbraw/zinc/64/27/11/1091642711.db2.gz NNZYOSSUURWWES-UONOGXRCSA-N 0 3 310.869 3.358 20 30 DGEDHN N#Cc1cccc2c(CN3CC[C@H](Oc4ccccn4)C3)c[nH]c21 ZINC001139706649 1091648607 /nfs/dbraw/zinc/64/86/07/1091648607.db2.gz COPQRKZWELQOMY-INIZCTEOSA-N 0 3 318.380 3.088 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C[C@@H]21 ZINC001085077991 1091662122 /nfs/dbraw/zinc/66/21/22/1091662122.db2.gz UIETUHFIVVSGKJ-SXLOBPIMSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CC(C(C)(C)C)C3)C[C@@H]21 ZINC001085104511 1091671609 /nfs/dbraw/zinc/67/16/09/1091671609.db2.gz LRDZBLGTSQJXEJ-VXLLPVPCSA-N 0 3 304.478 3.168 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1OC1CCC1 ZINC001139869547 1091695676 /nfs/dbraw/zinc/69/56/76/1091695676.db2.gz KSUZODXWJCTGGY-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(Cl)nc(C2CC2)c1 ZINC001139869526 1091696240 /nfs/dbraw/zinc/69/62/40/1091696240.db2.gz JZIVVLSXRMXNPO-UHFFFAOYSA-N 0 3 321.852 3.192 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(CC)ccn1 ZINC001085208306 1091716149 /nfs/dbraw/zinc/71/61/49/1091716149.db2.gz LMPWUMFAUGCJAO-HUUCEWRRSA-N 0 3 321.852 3.027 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC)cc1 ZINC001085402806 1091766343 /nfs/dbraw/zinc/76/63/43/1091766343.db2.gz FULQZMWQSFUDSB-HZPDHXFCSA-N 0 3 322.836 3.078 20 30 DGEDHN Cn1cc(CN2CCC(c3cccc(C#N)c3)CC2)cc1C#N ZINC001207105943 1091845746 /nfs/dbraw/zinc/84/57/46/1091845746.db2.gz AMRRWHHHVGIXMM-UHFFFAOYSA-N 0 3 304.397 3.148 20 30 DGEDHN C#CCCCC(=O)N(CC)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001273348770 1091850856 /nfs/dbraw/zinc/85/08/56/1091850856.db2.gz WBFMGJYUWIMTIY-AWEZNQCLSA-N 0 3 322.399 3.267 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608319 1091857454 /nfs/dbraw/zinc/85/74/54/1091857454.db2.gz OKABEAMKAJWRET-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001297379452 1091872564 /nfs/dbraw/zinc/87/25/64/1091872564.db2.gz NPYFRPHHHSUJAS-MRXNPFEDSA-N 0 3 318.461 3.444 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001207215068 1091889228 /nfs/dbraw/zinc/88/92/28/1091889228.db2.gz ALPPHOKGCOKKCU-CZUORRHYSA-N 0 3 306.475 3.349 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1C ZINC001154987837 1091896125 /nfs/dbraw/zinc/89/61/25/1091896125.db2.gz ZPKNZOMZEITQDX-CQSZACIVSA-N 0 3 306.837 3.112 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740188 1091907616 /nfs/dbraw/zinc/90/76/16/1091907616.db2.gz KDFVVWQLRRFQTE-XWTMOSNGSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(O)c(C)c1)C2 ZINC001140575748 1091915502 /nfs/dbraw/zinc/91/55/02/1091915502.db2.gz XAYKMMHGPWMQKS-HKUYNNGSSA-N 0 3 317.429 3.027 20 30 DGEDHN CC(C)(CN(CCC#N)C1CCCCCCC1)N1CCOCC1 ZINC001207303573 1091917651 /nfs/dbraw/zinc/91/76/51/1091917651.db2.gz LAIBYRWOERRMLN-UHFFFAOYSA-N 0 3 321.509 3.426 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CN1CCC[C@H](CC#N)C1 ZINC001207315462 1091921389 /nfs/dbraw/zinc/92/13/89/1091921389.db2.gz QYBRPEXEYKXURU-HZPDHXFCSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1cc(F)ccc1C)CC2 ZINC001140591400 1091922373 /nfs/dbraw/zinc/92/23/73/1091922373.db2.gz WVPMQFLXUSAHJQ-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085790243 1091938771 /nfs/dbraw/zinc/93/87/71/1091938771.db2.gz FCNGJJBEPBUIBK-ZDUSSCGKSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001085798127 1091939135 /nfs/dbraw/zinc/93/91/35/1091939135.db2.gz JPTSQNXXDCAXGA-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)nc1C ZINC001085818947 1091951399 /nfs/dbraw/zinc/95/13/99/1091951399.db2.gz MOXILRNBXFLOOF-MRXNPFEDSA-N 0 3 315.461 3.236 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(CCC)cc1 ZINC001273364192 1091953243 /nfs/dbraw/zinc/95/32/43/1091953243.db2.gz XCEAYYOCKPBHCU-OAQYLSRUSA-N 0 3 324.468 3.229 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085816787 1091953587 /nfs/dbraw/zinc/95/35/87/1091953587.db2.gz GQPRQBJNCJTAFE-MRXNPFEDSA-N 0 3 315.461 3.395 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001085853877 1091981208 /nfs/dbraw/zinc/98/12/08/1091981208.db2.gz JYBUVNGEFNKDLA-CQSZACIVSA-N 0 3 322.474 3.178 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001085864572 1091989739 /nfs/dbraw/zinc/98/97/39/1091989739.db2.gz DWZVZCUCJGTKKK-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001085865698 1091991296 /nfs/dbraw/zinc/99/12/96/1091991296.db2.gz LBMWLZSAAFCSLF-ARFHVFGLSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)cc(OC)c1 ZINC001085889190 1091996450 /nfs/dbraw/zinc/99/64/50/1091996450.db2.gz SVJVGUIPGSRFRF-HNNXBMFYSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001085913101 1092004868 /nfs/dbraw/zinc/00/48/68/1092004868.db2.gz USDABIOIOACUPO-IBGZPJMESA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2scnc2c1 ZINC001085904597 1092006089 /nfs/dbraw/zinc/00/60/89/1092006089.db2.gz ITIXDSHIYKBTAF-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001085914434 1092006476 /nfs/dbraw/zinc/00/64/76/1092006476.db2.gz ACVUNXWCISDBLE-MRXNPFEDSA-N 0 3 315.461 3.006 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2ccccc2n1 ZINC001085940074 1092028722 /nfs/dbraw/zinc/02/87/22/1092028722.db2.gz YCBOOHGCEDAQKH-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085962890 1092054198 /nfs/dbraw/zinc/05/41/98/1092054198.db2.gz RRXGHSATRZTPTG-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961492 1092057504 /nfs/dbraw/zinc/05/75/04/1092057504.db2.gz HNGTYBFMJWSBME-INIZCTEOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961811 1092058493 /nfs/dbraw/zinc/05/84/93/1092058493.db2.gz PKIOBQAFROMEET-MRXNPFEDSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001207653706 1092060239 /nfs/dbraw/zinc/06/02/39/1092060239.db2.gz 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ZINC001213723851 1093649548 /nfs/dbraw/zinc/64/95/48/1093649548.db2.gz YPBLRSBVIHJDFV-BRWVUGGUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)[C@H](OC)C1 ZINC001213944168 1093683917 /nfs/dbraw/zinc/68/39/17/1093683917.db2.gz QWGDOIZBXYRNHA-KZNAEPCWSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001214302210 1093752754 /nfs/dbraw/zinc/75/27/54/1093752754.db2.gz WRWAPCNOTXAEEY-MLGOLLRUSA-N 0 3 324.827 3.382 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NCC(C)(C)C#N)CC[C@@H]2C1 ZINC000400982181 1093930931 /nfs/dbraw/zinc/93/09/31/1093930931.db2.gz WCECEHIGQYVPAE-QLFBSQMISA-N 0 3 321.465 3.161 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215433915 1093982397 /nfs/dbraw/zinc/98/23/97/1093982397.db2.gz GOTIVWDBJSJVOQ-VXGBXAGGSA-N 0 3 305.249 3.098 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215465735 1093986216 /nfs/dbraw/zinc/98/62/16/1093986216.db2.gz SUWBAAQCAQGIPA-JMSVASOKSA-N 0 3 319.276 3.344 20 30 DGEDHN CCCC1(C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001215490552 1093989626 /nfs/dbraw/zinc/98/96/26/1093989626.db2.gz HOLZFFJSISBNNP-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN N#Cc1cnc(Nc2cccc(CN3CCCCC3)c2F)cn1 ZINC001215675633 1094030471 /nfs/dbraw/zinc/03/04/71/1094030471.db2.gz DUEVZIWWTOYXQD-UHFFFAOYSA-N 0 3 311.364 3.217 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001215701460 1094034799 /nfs/dbraw/zinc/03/47/99/1094034799.db2.gz WNWUDMXKEQLVLK-RHSMWYFYSA-N 0 3 318.436 3.365 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cccn2CC)CCCCC1 ZINC001120147656 1094384692 /nfs/dbraw/zinc/38/46/92/1094384692.db2.gz RNPIHQMAUCJABO-UHFFFAOYSA-N 0 3 323.868 3.283 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120412691 1094424275 /nfs/dbraw/zinc/42/42/75/1094424275.db2.gz HUIXIBLWETTXKW-MSOLQXFVSA-N 0 3 322.468 3.243 20 30 DGEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)s1)[C@@H](C)C(C)(C)C ZINC001135178182 1094430670 /nfs/dbraw/zinc/43/06/70/1094430670.db2.gz QXPGCKRWJHGVJQ-CHWSQXEVSA-N 0 3 321.490 3.144 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001135234594 1094453130 /nfs/dbraw/zinc/45/31/30/1094453130.db2.gz BQAXYDVXHWRVGK-RYUDHWBXSA-N 0 3 323.506 3.345 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001135236459 1094454551 /nfs/dbraw/zinc/45/45/51/1094454551.db2.gz SLEFKPMSJRYJJU-UKOINSAQSA-N 0 3 307.265 3.391 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135330303 1094492286 /nfs/dbraw/zinc/49/22/86/1094492286.db2.gz NXORDNJQLNVMGK-GJZGRUSLSA-N 0 3 315.461 3.367 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135357282 1094500559 /nfs/dbraw/zinc/50/05/59/1094500559.db2.gz AHVQMJVFLSEALT-CHWSQXEVSA-N 0 3 307.438 3.021 20 30 DGEDHN COC(=O)CCCCCCCCCCCO[C@@H]1CNC[C@H]1C#N ZINC001217833191 1094503118 /nfs/dbraw/zinc/50/31/18/1094503118.db2.gz RIXOOYWRVJFBTD-IAGOWNOFSA-N 0 3 324.465 3.189 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135358756 1094503252 /nfs/dbraw/zinc/50/32/52/1094503252.db2.gz XYWOJRIFBDQVKA-QWHCGFSZSA-N 0 3 309.479 3.181 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2nc(C)cs2)C1 ZINC001135418030 1094529331 /nfs/dbraw/zinc/52/93/31/1094529331.db2.gz BKFYWCJXHACVPJ-OLZOCXBDSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCCC[C@@H](C)CC)[C@H]2C1 ZINC001218003767 1094553512 /nfs/dbraw/zinc/55/35/12/1094553512.db2.gz GODAYCGQMARXCY-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)CCCCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001135500958 1094556667 /nfs/dbraw/zinc/55/66/67/1094556667.db2.gz FNVYTNNOWHUPJS-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001103417161 1094619614 /nfs/dbraw/zinc/61/96/14/1094619614.db2.gz MHTNRJIRWDDIFH-KBEGMRNHSA-N 0 3 324.896 3.393 20 30 DGEDHN CCn1c2ccccc2nc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC001336729000 1094713592 /nfs/dbraw/zinc/71/35/92/1094713592.db2.gz WAQUTWDNCBXAOV-UONOGXRCSA-N 0 3 314.433 3.008 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121609940 1094726139 /nfs/dbraw/zinc/72/61/39/1094726139.db2.gz HIEQVPCRBPIYMZ-DPGVGJJJSA-N 0 3 310.869 3.358 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121611818 1094726176 /nfs/dbraw/zinc/72/61/76/1094726176.db2.gz ZYTFMDZKLFWGAI-CJHWHTAYSA-N 0 3 310.869 3.214 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001493108411 1094729945 /nfs/dbraw/zinc/72/99/45/1094729945.db2.gz OPKHZGOOZYUHCX-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)c1ccccc1 ZINC001121667504 1094739839 /nfs/dbraw/zinc/73/98/39/1094739839.db2.gz LQIMWTXQPBFWFG-OAHLLOKOSA-N 0 3 311.433 3.041 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)C(C)(C)C)NCc1cc(F)ccc1C#N ZINC001135983997 1094777596 /nfs/dbraw/zinc/77/75/96/1094777596.db2.gz SYYNCZVKHHBIGN-OLZOCXBDSA-N 0 3 319.424 3.116 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ncc(C(C)=O)s1 ZINC001121882214 1094812163 /nfs/dbraw/zinc/81/21/63/1094812163.db2.gz WQQGWVMYBYPWKW-GFCCVEGCSA-N 0 3 311.451 3.362 20 30 DGEDHN N#Cc1nc2ccc(O[C@H]3CNCc4ccccc43)cc2s1 ZINC001218487826 1094813657 /nfs/dbraw/zinc/81/36/57/1094813657.db2.gz WNLPCSKRFPLPPI-HNNXBMFYSA-N 0 3 307.378 3.391 20 30 DGEDHN Cc1nc(O[C@@H]2CNCc3ccccc32)c(C#N)c(C)c1Cl ZINC001218489567 1094818735 /nfs/dbraw/zinc/81/87/35/1094818735.db2.gz TUCZRPHPBBUBRT-OAHLLOKOSA-N 0 3 313.788 3.447 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC001121900161 1094820395 /nfs/dbraw/zinc/82/03/95/1094820395.db2.gz DATMOVRIIMNFPG-CHWSQXEVSA-N 0 3 317.458 3.499 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1NCC(F)(F)F ZINC001121913836 1094824067 /nfs/dbraw/zinc/82/40/67/1094824067.db2.gz KOYILBUGKLHBCB-LLVKDONJSA-N 0 3 315.339 3.283 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@H]1C ZINC001104008279 1094836425 /nfs/dbraw/zinc/83/64/25/1094836425.db2.gz BOPQFHYRQIRDQX-GZBFAFLISA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC001121940255 1094836914 /nfs/dbraw/zinc/83/69/14/1094836914.db2.gz GUHCOTNNCZFAMK-OAHLLOKOSA-N 0 3 300.406 3.239 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc2ccccc2oc1=O ZINC001218594914 1094840509 /nfs/dbraw/zinc/84/05/09/1094840509.db2.gz NZYFMXKHXZLOCY-AWEZNQCLSA-N 0 3 314.385 3.195 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2oc(C)cc2C)C[C@H]1C ZINC001104051679 1094850735 /nfs/dbraw/zinc/85/07/35/1094850735.db2.gz VITQSFAZFIHHPX-IUODEOHRSA-N 0 3 324.852 3.337 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)[C@H](C)CC)C2 ZINC001121975063 1094853561 /nfs/dbraw/zinc/85/35/61/1094853561.db2.gz KWHGESDQYRHBMA-CJHWHTAYSA-N 0 3 312.885 3.438 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H](C)CCCCCC)[C@H]2C1 ZINC001218803105 1094869797 /nfs/dbraw/zinc/86/97/97/1094869797.db2.gz GBYNBDHKZXHPMY-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@H](N)CC1CCC1 ZINC001218953741 1094911665 /nfs/dbraw/zinc/91/16/65/1094911665.db2.gz SAJMMXMIFOUFFI-LBPRGKRZSA-N 0 3 311.307 3.033 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC001111648915 1094940402 /nfs/dbraw/zinc/94/04/02/1094940402.db2.gz UZSZHCHJNHFWFX-LPHOPBHVSA-N 0 3 316.420 3.263 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCC=CCCC1 ZINC001122448055 1094977696 /nfs/dbraw/zinc/97/76/96/1094977696.db2.gz JKQJGLSIROSDTD-SJORKVTESA-N 0 3 310.397 3.148 20 30 DGEDHN N#CC(C(=O)[C@H]1CCOC2(CCCC2)C1)c1nc2ccccc2[nH]1 ZINC001122482405 1094985475 /nfs/dbraw/zinc/98/54/75/1094985475.db2.gz KCRJUBUXKXPCFI-UONOGXRCSA-N 0 3 323.396 3.479 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001111878960 1094994361 /nfs/dbraw/zinc/99/43/61/1094994361.db2.gz TUUBXVHKYSKPDT-BJLQDIEVSA-N 0 3 316.489 3.363 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCOc1ccc(Cl)cc1 ZINC001122519091 1094996893 /nfs/dbraw/zinc/99/68/93/1094996893.db2.gz UOUCHAZFXLVVJW-AWEZNQCLSA-N 0 3 317.776 3.109 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001111888554 1095000479 /nfs/dbraw/zinc/00/04/79/1095000479.db2.gz NHKDUMQWDGQJHX-SCTDSRPQSA-N 0 3 304.478 3.053 20 30 DGEDHN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1cccc(F)n1 ZINC001122637980 1095023496 /nfs/dbraw/zinc/02/34/96/1095023496.db2.gz VQECZFQUHUGXIY-QZPNVGJNSA-N 0 3 301.708 3.159 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)CC(=C)C)C[C@H]1C(F)(F)F ZINC001112149860 1095036274 /nfs/dbraw/zinc/03/62/74/1095036274.db2.gz WEVZKJSNILFKPK-MGPQQGTHSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001086845077 1095041880 /nfs/dbraw/zinc/04/18/80/1095041880.db2.gz JTGSHYIPMLQTFS-RRFJBIMHSA-N 0 3 310.869 3.194 20 30 DGEDHN C=CC[C@H]1N(C(=O)NCCN2CCC(C)CC2)CCCC1(C)C ZINC001220633615 1095128793 /nfs/dbraw/zinc/12/87/93/1095128793.db2.gz KPMPGINDFAECFL-QGZVFWFLSA-N 0 3 321.509 3.495 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001206101004 1095152771 /nfs/dbraw/zinc/15/27/71/1095152771.db2.gz YXLJOTSANRNSQV-UHFFFAOYSA-N 0 3 324.306 3.259 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001220955685 1095176110 /nfs/dbraw/zinc/17/61/10/1095176110.db2.gz NGZXAOBWNAEJPN-GJZGRUSLSA-N 0 3 322.836 3.354 20 30 DGEDHN CCc1cc(C(=O)C(C#N)c2nccn2CC)cc(Cl)n1 ZINC001123234025 1095194966 /nfs/dbraw/zinc/19/49/66/1095194966.db2.gz QNQNRWJZEDVHTF-GFCCVEGCSA-N 0 3 302.765 3.004 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccccc1F ZINC001123237242 1095197517 /nfs/dbraw/zinc/19/75/17/1095197517.db2.gz YMNHGYOMDWLUTF-CYBMUJFWSA-N 0 3 315.348 3.078 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3cc(C)on3)[C@@H]2C1 ZINC001221248839 1095220532 /nfs/dbraw/zinc/22/05/32/1095220532.db2.gz NODFXXABNLQNOW-NVXWUHKLSA-N 0 3 319.449 3.100 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)CSC)CCCCC1 ZINC001115449669 1095225337 /nfs/dbraw/zinc/22/53/37/1095225337.db2.gz SBZRUANPMSZODK-LBPRGKRZSA-N 0 3 318.914 3.147 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001123336253 1095244826 /nfs/dbraw/zinc/24/48/26/1095244826.db2.gz FTUKWBLLJGRGRN-ZDUSSCGKSA-N 0 3 321.302 3.341 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001123338303 1095246270 /nfs/dbraw/zinc/24/62/70/1095246270.db2.gz ZTAFFQGKEGKEEO-OWCLPIDISA-N 0 3 311.360 3.412 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001123338300 1095246387 /nfs/dbraw/zinc/24/63/87/1095246387.db2.gz ZTAFFQGKEGKEEO-ARFHVFGLSA-N 0 3 311.360 3.412 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1cc2c(s1)CCC2 ZINC001123337255 1095247016 /nfs/dbraw/zinc/24/70/16/1095247016.db2.gz PEAMNTQBJSHWOE-SECBINFHSA-N 0 3 305.790 3.114 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1Br ZINC001123337446 1095247113 /nfs/dbraw/zinc/24/71/13/1095247113.db2.gz QTLHYXVOUYIXEL-VIFPVBQESA-N 0 3 324.203 3.217 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2c(C)ccn2C)CCCCC1 ZINC001115504055 1095255814 /nfs/dbraw/zinc/25/58/14/1095255814.db2.gz PVFCUMTXHSVPIP-UHFFFAOYSA-N 0 3 323.868 3.108 20 30 DGEDHN C=C(CC)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001221495230 1095285805 /nfs/dbraw/zinc/28/58/05/1095285805.db2.gz BCMGUEWUDBPJLI-UHFFFAOYSA-N 0 3 315.461 3.089 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221737063 1095338591 /nfs/dbraw/zinc/33/85/91/1095338591.db2.gz NKVOGQHMHLFUSN-WOJBJXKFSA-N 0 3 324.468 3.303 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cccnc2C)CCCCC1 ZINC001115699978 1095341277 /nfs/dbraw/zinc/34/12/77/1095341277.db2.gz YRSCCEKAMOCXJM-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221779860 1095352220 /nfs/dbraw/zinc/35/22/20/1095352220.db2.gz PWGXXZOSVXVTLU-QZTJIDSGSA-N 0 3 302.462 3.376 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](CCCC)C(C)C)[C@@H]2C1 ZINC001222057894 1095416808 /nfs/dbraw/zinc/41/68/08/1095416808.db2.gz GDGUXRZYNZDGIY-KZNAEPCWSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)CCCC1 ZINC001222158094 1095465114 /nfs/dbraw/zinc/46/51/14/1095465114.db2.gz QHEMXRUMBNMDBE-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C[C@H]1CN(Cc2cncc(C#N)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC001144079271 1095503247 /nfs/dbraw/zinc/50/32/47/1095503247.db2.gz FUXFQHDKOQPWHS-MGPUTAFESA-N 0 3 321.424 3.459 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC001116303432 1095510492 /nfs/dbraw/zinc/51/04/92/1095510492.db2.gz VXAMIXSBNTWLKB-CXAGYDPISA-N 0 3 320.820 3.243 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001091027405 1095583703 /nfs/dbraw/zinc/58/37/03/1095583703.db2.gz FTSDMNXGIIQQBK-SHARSMKWSA-N 0 3 310.869 3.194 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCCC(C)(C)C)C[C@@H]21 ZINC001222458996 1095625412 /nfs/dbraw/zinc/62/54/12/1095625412.db2.gz XMXGIFKVBRSHEX-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(Br)no1 ZINC001171181181 1095659598 /nfs/dbraw/zinc/65/95/98/1095659598.db2.gz HMPRJZINUBFWAP-JTQLQIEISA-N 0 3 320.190 3.030 20 30 DGEDHN C#Cc1ccc(CN2CCN3CCc4ccccc4[C@@H]3C2)cc1 ZINC001144578541 1095715158 /nfs/dbraw/zinc/71/51/58/1095715158.db2.gz GIZGEKGEZREPIW-NRFANRHFSA-N 0 3 302.421 3.083 20 30 DGEDHN C#Cc1ccc(CN2CCC(NC(=O)CC(C)(C)C)CC2)cc1 ZINC001144578711 1095715586 /nfs/dbraw/zinc/71/55/86/1095715586.db2.gz KBSAJVKBGAZHAO-UHFFFAOYSA-N 0 3 312.457 3.185 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(CC(F)(F)F)cn1 ZINC001171199427 1095717583 /nfs/dbraw/zinc/71/75/83/1095717583.db2.gz ZZZZSVAQGQBFTO-LBPRGKRZSA-N 0 3 322.334 3.038 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001276833089 1095726789 /nfs/dbraw/zinc/72/67/89/1095726789.db2.gz CAPVDJYZGNSDFH-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2CCN(C[C@H](F)CC)[C@H]2C1 ZINC001222776264 1095750698 /nfs/dbraw/zinc/75/06/98/1095750698.db2.gz QLAXTVGTUXIXIC-OAGGEKHMSA-N 0 3 310.457 3.260 20 30 DGEDHN N#CCOc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC001117319268 1095759581 /nfs/dbraw/zinc/75/95/81/1095759581.db2.gz OFUHFUHWGNYOGZ-OAHLLOKOSA-N 0 3 313.788 3.414 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC001339985924 1095802962 /nfs/dbraw/zinc/80/29/62/1095802962.db2.gz MAVVIZJEXONIAX-LSDHHAIUSA-N 0 3 320.408 3.228 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC001340014032 1095815838 /nfs/dbraw/zinc/81/58/38/1095815838.db2.gz MCPSPUNYYOJZGS-GJZGRUSLSA-N 0 3 315.442 3.032 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](CC)CCCC)C[C@@H]21 ZINC001223145876 1095882769 /nfs/dbraw/zinc/88/27/69/1095882769.db2.gz VTWHCSLBYHNKLO-KSZLIROESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001091357678 1095913518 /nfs/dbraw/zinc/91/35/18/1095913518.db2.gz UWBPCHKLRYJOTL-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cccc(CC#N)n2)CC1 ZINC001118155379 1095948486 /nfs/dbraw/zinc/94/84/86/1095948486.db2.gz QDUQQQLOCFKAOW-HNNXBMFYSA-N 0 3 321.428 3.180 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001276902532 1096008946 /nfs/dbraw/zinc/00/89/46/1096008946.db2.gz ZYHFSLNLPMRMSY-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc(F)cc1Cl ZINC001276916781 1096054453 /nfs/dbraw/zinc/05/44/53/1096054453.db2.gz WKLGFPYCJRGIDY-OAHLLOKOSA-N 0 3 324.827 3.178 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cnn(C(F)F)c1 ZINC001340955507 1096079248 /nfs/dbraw/zinc/07/92/48/1096079248.db2.gz BGOWMDHDZXDHOJ-GFCCVEGCSA-N 0 3 302.369 3.295 20 30 DGEDHN CC1([C@H]2CCCN(Cc3cc(Cl)cc(C#N)c3)C2)OCCO1 ZINC001341025383 1096099016 /nfs/dbraw/zinc/09/90/16/1096099016.db2.gz MXUCHWNOPJMGTD-HNNXBMFYSA-N 0 3 320.820 3.187 20 30 DGEDHN C#CCCCCCC(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224061953 1096127718 /nfs/dbraw/zinc/12/77/18/1096127718.db2.gz PDHGJJYHTDRYPI-QGZVFWFLSA-N 0 3 310.457 3.146 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224186444 1096156568 /nfs/dbraw/zinc/15/65/68/1096156568.db2.gz CIIMJSCPESKVPN-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(Cc2ncccc2C)CC1 ZINC001224272621 1096177258 /nfs/dbraw/zinc/17/72/58/1096177258.db2.gz AQAYKGNFRGLRCI-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(Cc2cncc(C)c2)CC1 ZINC001224272881 1096177841 /nfs/dbraw/zinc/17/78/41/1096177841.db2.gz KADHBYUOAATJIQ-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN N#Cc1ccc(N2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cc1 ZINC001276960537 1096179253 /nfs/dbraw/zinc/17/92/53/1096179253.db2.gz KNBADQAEMBLRDC-HDICACEKSA-N 0 3 320.440 3.235 20 30 DGEDHN N#CCCCCCCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224375407 1096199310 /nfs/dbraw/zinc/19/93/10/1096199310.db2.gz JJRFIZKPVZHSAX-LJQANCHMSA-N 0 3 316.445 3.378 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224385473 1096201036 /nfs/dbraw/zinc/20/10/36/1096201036.db2.gz CPFQYKHSTXZTFS-LJQANCHMSA-N 0 3 315.461 3.012 20 30 DGEDHN CC[C@H](CC(=O)NCCNCc1cccc(C#N)c1)C(C)(C)C ZINC001147466767 1096225805 /nfs/dbraw/zinc/22/58/05/1096225805.db2.gz VTZWRDBGWZKLKN-QGZVFWFLSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001147652480 1096252101 /nfs/dbraw/zinc/25/21/01/1096252101.db2.gz LFVMCAMAAQIYAV-UHFFFAOYSA-N 0 3 318.383 3.075 20 30 DGEDHN C[C@H](CCC(C)(C)C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001147791625 1096273580 /nfs/dbraw/zinc/27/35/80/1096273580.db2.gz PLFSQXRVWWGQPT-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001224739188 1096276662 /nfs/dbraw/zinc/27/66/62/1096276662.db2.gz JYVNTASFNHMMAY-GOSISDBHSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C(C)(C)C2CCCCC2)CC1 ZINC001224796805 1096287232 /nfs/dbraw/zinc/28/72/32/1096287232.db2.gz QRZHARJKVJDYNQ-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC(CNC(=O)CCCC2CCCCC2)CC1 ZINC001225333509 1096399333 /nfs/dbraw/zinc/39/93/33/1096399333.db2.gz SUVNPQYPVBAIQC-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](CC)CCCCC)C2)C1 ZINC001148804724 1096450697 /nfs/dbraw/zinc/45/06/97/1096450697.db2.gz XFSPGZHZXHOCKM-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCCCCC(=O)NCCNCc1cn(C)nc1C ZINC001148820491 1096453324 /nfs/dbraw/zinc/45/33/24/1096453324.db2.gz GCRKHYYKMZSGHP-UHFFFAOYSA-N 0 3 322.497 3.075 20 30 DGEDHN C=C[C@@H](CC(=O)NCC1CCN(CC#CC)CC1)c1ccccc1 ZINC001225535110 1096460237 /nfs/dbraw/zinc/46/02/37/1096460237.db2.gz VKABNFDKRSHRDO-IBGZPJMESA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@](C)(CC)CCCCC)CC1 ZINC001225603399 1096479472 /nfs/dbraw/zinc/47/94/72/1096479472.db2.gz AIBCFPNBLBPGMT-IBGZPJMESA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCC3CCCC3)C2)CC1 ZINC001086899539 1096499273 /nfs/dbraw/zinc/49/92/73/1096499273.db2.gz LNFOKHDUWUAEOO-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3CC(C)(C)C3)C2)CC1 ZINC001086939063 1096515369 /nfs/dbraw/zinc/51/53/69/1096515369.db2.gz HNZYQQAFDRIGJD-INIZCTEOSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001225747387 1096519098 /nfs/dbraw/zinc/51/90/98/1096519098.db2.gz YQDJVBQNNWKILJ-AATRIKPKSA-N 0 3 324.468 3.250 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)C3CCCC3)C2)CC1 ZINC001086952106 1096520884 /nfs/dbraw/zinc/52/08/84/1096520884.db2.gz AGKINKJYJKTLFM-SJORKVTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)c3ccccc3)C2)CC1 ZINC001086954901 1096521315 /nfs/dbraw/zinc/52/13/15/1096521315.db2.gz XYOQPFWDMDYVQX-QZTJIDSGSA-N 0 3 324.468 3.126 20 30 DGEDHN Cc1ccc(C#N)c(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC001225868764 1096548494 /nfs/dbraw/zinc/54/84/94/1096548494.db2.gz HNCVFHITEAMJJV-KSSFIOAISA-N 0 3 307.397 3.161 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC001273457640 1096648823 /nfs/dbraw/zinc/64/88/23/1096648823.db2.gz QHDVRFKSOKMZRK-IEBWSBKVSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC001273457638 1096649217 /nfs/dbraw/zinc/64/92/17/1096649217.db2.gz QHDVRFKSOKMZRK-HKUYNNGSSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001226519488 1096711351 /nfs/dbraw/zinc/71/13/51/1096711351.db2.gz YNBVHWJYGXHKFA-AWEZNQCLSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001226527767 1096713381 /nfs/dbraw/zinc/71/33/81/1096713381.db2.gz NRUDTXZVJAUOPG-UHFFFAOYSA-N 0 3 304.409 3.181 20 30 DGEDHN C[C@@H](Oc1ccnc(N)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC001226656554 1096743529 /nfs/dbraw/zinc/74/35/29/1096743529.db2.gz LICXWXWZEMQWOA-RXMQYKEDSA-N 0 3 306.181 3.264 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccsc3Cl)CCC[C@@H]12 ZINC001094529477 1096846277 /nfs/dbraw/zinc/84/62/77/1096846277.db2.gz WPOCPILEHIDRQO-CZUORRHYSA-N 0 3 322.861 3.009 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc(C4CC4)c3)CCC[C@@H]12 ZINC001094586251 1096864777 /nfs/dbraw/zinc/86/47/77/1096864777.db2.gz GODCWFFOLQIQJA-TZIWHRDSSA-N 0 3 322.452 3.172 20 30 DGEDHN CCN1CCC[C@H](Oc2nc(C)c(-c3ccncc3)cc2C#N)C1 ZINC001227269814 1096909045 /nfs/dbraw/zinc/90/90/45/1096909045.db2.gz KSARXYOSUCMWHR-KRWDZBQOSA-N 0 3 322.412 3.187 20 30 DGEDHN N#Cc1coc(CN[C@H]2CCc3cc(F)c(F)c(F)c3C2)c1 ZINC001171530418 1096919795 /nfs/dbraw/zinc/91/97/95/1096919795.db2.gz QPWKOMUWSNZMNO-NSHDSACASA-N 0 3 306.287 3.216 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)C[C@H]1C(C)(C)C ZINC001171580068 1096929507 /nfs/dbraw/zinc/92/95/07/1096929507.db2.gz SONWPKSCPBLRQI-KGLIPLIRSA-N 0 3 309.454 3.304 20 30 DGEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001277226284 1096963327 /nfs/dbraw/zinc/96/33/27/1096963327.db2.gz VIRORPIYEWSXHK-BMFAXAFESA-N 0 3 322.493 3.057 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001171923321 1097009044 /nfs/dbraw/zinc/00/90/44/1097009044.db2.gz RJKNYDMSJWNWND-UHFFFAOYSA-N 0 3 321.635 3.455 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)N[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172013810 1097018861 /nfs/dbraw/zinc/01/88/61/1097018861.db2.gz RYZVDZDUJZJOMB-GJZGRUSLSA-N 0 3 314.429 3.055 20 30 DGEDHN Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CCN3CC2CCCC2)c1 ZINC001277257162 1097022262 /nfs/dbraw/zinc/02/22/62/1097022262.db2.gz YTGUQVMOMVOJQG-FXAWDEMLSA-N 0 3 323.440 3.460 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCNCc1nc(C)c(C)s1 ZINC001277264204 1097038932 /nfs/dbraw/zinc/03/89/32/1097038932.db2.gz PDWSVGKKVQGSPA-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228130015 1097057565 /nfs/dbraw/zinc/05/75/65/1097057565.db2.gz LJRXFQCXMYZGTO-NUEKZKHPSA-N 0 3 321.490 3.262 20 30 DGEDHN Cc1ccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)nc1 ZINC001172319943 1097100176 /nfs/dbraw/zinc/10/01/76/1097100176.db2.gz SFVPWXUYWOILRK-QGZVFWFLSA-N 0 3 320.440 3.015 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(CC#CC)C1 ZINC001277286172 1097100345 /nfs/dbraw/zinc/10/03/45/1097100345.db2.gz VZMSBYHCPPAFPW-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN O=C1C=C[C@@H](Oc2ccc(CN3CCCCC3)c3cccnc23)C1 ZINC001228374796 1097108597 /nfs/dbraw/zinc/10/85/97/1097108597.db2.gz QCUCCTYRMFMLHK-QGZVFWFLSA-N 0 3 322.408 3.497 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(OC2CCC2)ncn1 ZINC001172299270 1097109682 /nfs/dbraw/zinc/10/96/82/1097109682.db2.gz JAWUXBFFWDEXBF-AWEZNQCLSA-N 0 3 322.412 3.000 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001277297988 1097116932 /nfs/dbraw/zinc/11/69/32/1097116932.db2.gz AVXBMPVCFOSGLZ-STQMWFEESA-N 0 3 314.882 3.479 20 30 DGEDHN CC[C@H](C)OCC[C@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001172340839 1097118828 /nfs/dbraw/zinc/11/88/28/1097118828.db2.gz LNTASKCAZCQCTJ-IRXDYDNUSA-N 0 3 315.461 3.274 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(F)F ZINC001228504452 1097131658 /nfs/dbraw/zinc/13/16/58/1097131658.db2.gz QKVQMOUZBCPXPI-GHMZBOCLSA-N 0 3 308.800 3.047 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2ccccn2c1 ZINC001277313267 1097152057 /nfs/dbraw/zinc/15/20/57/1097152057.db2.gz FRJNGCJLSLDRGS-AWEZNQCLSA-N 0 3 319.836 3.180 20 30 DGEDHN CCOc1ccccc1N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172491025 1097167910 /nfs/dbraw/zinc/16/79/10/1097167910.db2.gz BTHICPQFEONSAU-INIZCTEOSA-N 0 3 301.434 3.290 20 30 DGEDHN COc1ccccc1Cn1cnc(CN[C@H](C)CCCC#N)c1 ZINC001172491859 1097168079 /nfs/dbraw/zinc/16/80/79/1097168079.db2.gz KDRAZKSXJRNILV-OAHLLOKOSA-N 0 3 312.417 3.112 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC001204097996 1097217855 /nfs/dbraw/zinc/21/78/55/1097217855.db2.gz QPEPLFDEEZMVHL-SFHVURJKSA-N 0 3 308.381 3.307 20 30 DGEDHN N=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cn1 ZINC001172709566 1097228325 /nfs/dbraw/zinc/22/83/25/1097228325.db2.gz JLCKHRDEQDISQI-ZDUSSCGKSA-N 0 3 306.196 3.261 20 30 DGEDHN CC[C@H](C)[C@H]([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)N[O-] ZINC001172820700 1097248219 /nfs/dbraw/zinc/24/82/19/1097248219.db2.gz AYBGOAYPIAFYHM-KUQKPQIMSA-N 0 3 318.461 3.298 20 30 DGEDHN C[C@@H]1CC[C@@H](N2CCC[C@@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001173063268 1097315953 /nfs/dbraw/zinc/31/59/53/1097315953.db2.gz AIIKGLAHKDQKMA-OWCLPIDISA-N 0 3 321.465 3.400 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC001277391200 1097328816 /nfs/dbraw/zinc/32/88/16/1097328816.db2.gz DEWUTLLKKQODAU-UHFFFAOYSA-N 0 3 322.452 3.071 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC)OCC ZINC001277431716 1097412520 /nfs/dbraw/zinc/41/25/20/1097412520.db2.gz KXJPJKVYCJULEM-FGTMMUONSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCOC1CCC(N2CCN(c3ncccc3C)CC2)CC1 ZINC001173319521 1097429442 /nfs/dbraw/zinc/42/94/42/1097429442.db2.gz LHYGMOHWLWMXMQ-UHFFFAOYSA-N 0 3 315.461 3.026 20 30 DGEDHN CC1(C#N)CCC(NCc2ccn(CC(F)(F)F)n2)CC1 ZINC001173590883 1097465288 /nfs/dbraw/zinc/46/52/88/1097465288.db2.gz DWZNHRYXQQEQJW-UHFFFAOYSA-N 0 3 300.328 3.007 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C#CC(C)C)CC1 ZINC001230564502 1097514913 /nfs/dbraw/zinc/51/49/13/1097514913.db2.gz UIPFAUJXSJOYTC-QGZVFWFLSA-N 0 3 322.880 3.101 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccncc1 ZINC001230582829 1097518971 /nfs/dbraw/zinc/51/89/71/1097518971.db2.gz FUYPGQWVNPZAEV-KRWDZBQOSA-N 0 3 303.450 3.198 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759756 1097576376 /nfs/dbraw/zinc/57/63/76/1097576376.db2.gz WLPAYFMIBJWWLR-CHWSQXEVSA-N 0 3 310.825 3.434 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cccn1C ZINC001230765268 1097577428 /nfs/dbraw/zinc/57/74/28/1097577428.db2.gz CMNKEPPMFJRKQJ-INIZCTEOSA-N 0 3 305.466 3.142 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)COC1CCCC1 ZINC001230900938 1097618116 /nfs/dbraw/zinc/61/81/16/1097618116.db2.gz XNTMLKFGPDPIMQ-KRWDZBQOSA-N 0 3 324.509 3.449 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230978585 1097636979 /nfs/dbraw/zinc/63/69/79/1097636979.db2.gz YOMRLMPGCCLUID-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCC=C ZINC001231095509 1097667691 /nfs/dbraw/zinc/66/76/91/1097667691.db2.gz RAHGPIAYIKOHBA-MSOLQXFVSA-N 0 3 322.493 3.247 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCCCOC ZINC001231132305 1097678260 /nfs/dbraw/zinc/67/82/60/1097678260.db2.gz SAFACBGKNQUMCT-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN CN1CCc2c(C#N)c(Nc3cccc4[nH]ncc43)sc2C1 ZINC001174342803 1097682612 /nfs/dbraw/zinc/68/26/12/1097682612.db2.gz ONDYFQGXIUTVFA-UHFFFAOYSA-N 0 3 309.398 3.228 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC001231170371 1097686896 /nfs/dbraw/zinc/68/68/96/1097686896.db2.gz PBUPXUSDUFSBFR-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1Cc1cccc2ccccc21 ZINC001231246659 1097701748 /nfs/dbraw/zinc/70/17/48/1097701748.db2.gz HORJQJTZXMXYQJ-CRAIPNDOSA-N 0 3 321.424 3.032 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cc(C)on1 ZINC001231311463 1097718442 /nfs/dbraw/zinc/71/84/42/1097718442.db2.gz JKDAJAFEMKFXNI-KRWDZBQOSA-N 0 3 321.465 3.029 20 30 DGEDHN COc1c(Br)ccc(Nc2ccncc2C)c1C#N ZINC001174538404 1097749020 /nfs/dbraw/zinc/74/90/20/1097749020.db2.gz IGVLARCVSCMBPD-UHFFFAOYSA-N 0 3 318.174 3.198 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231576734 1097782040 /nfs/dbraw/zinc/78/20/40/1097782040.db2.gz HMOLFLBFGCMACW-HXUWFJFHSA-N 0 3 319.404 3.081 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCC)c3ccccc3)C2)C1 ZINC001277537896 1097782931 /nfs/dbraw/zinc/78/29/31/1097782931.db2.gz OQQGPWHKSNLITL-FPOVZHCZSA-N 0 3 324.468 3.128 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2[nH]nc3cc(Br)ccc32)C1 ZINC001231617710 1097793299 /nfs/dbraw/zinc/79/32/99/1097793299.db2.gz JUUKXZKMWYQFMQ-LLVKDONJSA-N 0 3 318.218 3.171 20 30 DGEDHN C=CCOc1cccc(CN2CCCN(c3cccnc3)CC2)c1 ZINC001231624833 1097795062 /nfs/dbraw/zinc/79/50/62/1097795062.db2.gz XYVAWDFPEBGXGY-UHFFFAOYSA-N 0 3 323.440 3.359 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001231659380 1097806753 /nfs/dbraw/zinc/80/67/53/1097806753.db2.gz KLZMBUSYOWVPTR-KRWDZBQOSA-N 0 3 314.429 3.157 20 30 DGEDHN C#Cc1cccc(CN2CCC(Oc3ccc(OC)cn3)CC2)c1 ZINC001231664487 1097808364 /nfs/dbraw/zinc/80/83/64/1097808364.db2.gz REZOGLGUMPOBIA-UHFFFAOYSA-N 0 3 322.408 3.115 20 30 DGEDHN CC[C@@H](F)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001174727211 1097820898 /nfs/dbraw/zinc/82/08/98/1097820898.db2.gz XEMTZPREURYCNE-RHSMWYFYSA-N 0 3 319.424 3.071 20 30 DGEDHN CCCCCCCN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC001174835313 1097854089 /nfs/dbraw/zinc/85/40/89/1097854089.db2.gz DGRJQLRSZRHSTB-UHFFFAOYSA-N 0 3 321.440 3.017 20 30 DGEDHN C#CCN1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001231824860 1097856415 /nfs/dbraw/zinc/85/64/15/1097856415.db2.gz KHTMYDZISCRWMG-UHFFFAOYSA-N 0 3 308.400 3.244 20 30 DGEDHN C=CC[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC001174890210 1097869051 /nfs/dbraw/zinc/86/90/51/1097869051.db2.gz FKIHBEHLWRPRNH-PKOBYXMFSA-N 0 3 314.473 3.440 20 30 DGEDHN C=CC[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC001174890209 1097869282 /nfs/dbraw/zinc/86/92/82/1097869282.db2.gz FKIHBEHLWRPRNH-MJGOQNOKSA-N 0 3 314.473 3.440 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001175082193 1097942136 /nfs/dbraw/zinc/94/21/36/1097942136.db2.gz MGPAGQZVZSRMDB-KBXCAEBGSA-N 0 3 321.465 3.350 20 30 DGEDHN CCCC[C@H](CC)CN1CCC12CN(c1ccc(C#N)cn1)C2 ZINC001277687377 1098091855 /nfs/dbraw/zinc/09/18/55/1098091855.db2.gz OZUHDVJBILOWCJ-INIZCTEOSA-N 0 3 312.461 3.434 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2ccc(C#N)s2)CC1 ZINC001232842531 1098150695 /nfs/dbraw/zinc/15/06/95/1098150695.db2.gz IJKQOTNAHZMRBJ-UHFFFAOYSA-N 0 3 312.442 3.062 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(CC(C)C)cc1 ZINC001175738657 1098151563 /nfs/dbraw/zinc/15/15/63/1098151563.db2.gz QDZNWKZWULRBGO-UHFFFAOYSA-N 0 3 308.853 3.347 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC001232844970 1098152235 /nfs/dbraw/zinc/15/22/35/1098152235.db2.gz GYMLEXFKTDHHJZ-APWZRJJASA-N 0 3 323.465 3.326 20 30 DGEDHN Cc1cc(O[C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)ncn1 ZINC001233083710 1098223825 /nfs/dbraw/zinc/22/38/25/1098223825.db2.gz YCHJYKHUDTVPFJ-GOSISDBHSA-N 0 3 322.412 3.009 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCCCO1 ZINC001233675476 1098404983 /nfs/dbraw/zinc/40/49/83/1098404983.db2.gz YVQJIZSLKKPBQN-QZTJIDSGSA-N 0 3 324.509 3.449 20 30 DGEDHN N#Cc1cccc(Br)c1OC1CCN(C2CC2)CC1 ZINC001233703072 1098413657 /nfs/dbraw/zinc/41/36/57/1098413657.db2.gz GPTQOFWMSYWXAV-UHFFFAOYSA-N 0 3 321.218 3.326 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233730256 1098417944 /nfs/dbraw/zinc/41/79/44/1098417944.db2.gz IRULCOLWUCWIDZ-HZPDHXFCSA-N 0 3 312.523 3.407 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@@H](C)OC ZINC001233827257 1098438123 /nfs/dbraw/zinc/43/81/23/1098438123.db2.gz HEEKIOINZQCGAK-SJORKVTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC[C@H]1CCc2ccccc21 ZINC001176800201 1098444269 /nfs/dbraw/zinc/44/42/69/1098444269.db2.gz SYBQUYWQSLFCNT-MRXNPFEDSA-N 0 3 320.864 3.345 20 30 DGEDHN N#Cc1cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)ccc1Cl ZINC001233926329 1098459558 /nfs/dbraw/zinc/45/95/58/1098459558.db2.gz YPJOPLOROVJBDQ-GASCZTMLSA-N 0 3 320.820 3.234 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C1CC1 ZINC001233946386 1098463714 /nfs/dbraw/zinc/46/37/14/1098463714.db2.gz AKMUWVVEBDCNKM-LJQANCHMSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001233948561 1098464475 /nfs/dbraw/zinc/46/44/75/1098464475.db2.gz YCVGUMQRXUMOLK-QUCCMNQESA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1cc(C)ccc1C ZINC001233948458 1098464978 /nfs/dbraw/zinc/46/49/78/1098464978.db2.gz WCXJVFHTNCCGSE-LJQANCHMSA-N 0 3 312.457 3.140 20 30 DGEDHN CCN1CCC[C@@H](Oc2c(C)cc(Br)cc2C#N)C1 ZINC001234014744 1098477480 /nfs/dbraw/zinc/47/74/80/1098477480.db2.gz VRRLROYNGPOYSZ-CQSZACIVSA-N 0 3 323.234 3.492 20 30 DGEDHN COc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1-n1ccnc1 ZINC001234075108 1098490364 /nfs/dbraw/zinc/49/03/64/1098490364.db2.gz GSIRUYLEJGDVAH-OSYLJGHBSA-N 0 3 322.412 3.147 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1oc2ccccc2c1CC ZINC001177215119 1098492187 /nfs/dbraw/zinc/49/21/87/1098492187.db2.gz ZDVRZSNIUVIESD-UHFFFAOYSA-N 0 3 320.820 3.457 20 30 DGEDHN C[NH+](C)CC[C@H](Oc1cc([O-])cc(C#N)c1)c1cccs1 ZINC001234139120 1098503121 /nfs/dbraw/zinc/50/31/21/1098503121.db2.gz FZSXDQUXOAPKCZ-HNNXBMFYSA-N 0 3 302.399 3.397 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234161359 1098507441 /nfs/dbraw/zinc/50/74/41/1098507441.db2.gz KMPAHJUIGNGLQR-MSOLQXFVSA-N 0 3 312.457 3.248 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234161365 1098507629 /nfs/dbraw/zinc/50/76/29/1098507629.db2.gz KMPAHJUIGNGLQR-ZWKOTPCHSA-N 0 3 312.457 3.248 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccccc1F)CC2 ZINC001203353908 1098508797 /nfs/dbraw/zinc/50/87/97/1098508797.db2.gz IGPXUPMYRXAHIK-IBGZPJMESA-N 0 3 316.420 3.359 20 30 DGEDHN COc1cc(CN(C)C)cc(F)c1OC1CCC(C#N)CC1 ZINC001234239398 1098520747 /nfs/dbraw/zinc/52/07/47/1098520747.db2.gz RKQGXCFHODYBOC-UHFFFAOYSA-N 0 3 306.381 3.357 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234332970 1098537665 /nfs/dbraw/zinc/53/76/65/1098537665.db2.gz IDZFKRIDSKEPHE-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234332965 1098537681 /nfs/dbraw/zinc/53/76/81/1098537681.db2.gz IDZFKRIDSKEPHE-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(-c2ccccc2)co1 ZINC001177570619 1098556444 /nfs/dbraw/zinc/55/64/44/1098556444.db2.gz UUIZCYGSMVXTRN-UHFFFAOYSA-N 0 3 318.804 3.409 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(CC)c(CC)c1 ZINC001177671869 1098575324 /nfs/dbraw/zinc/57/53/24/1098575324.db2.gz BQKQLCHBXYINDV-UHFFFAOYSA-N 0 3 308.853 3.273 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001177651612 1098579489 /nfs/dbraw/zinc/57/94/89/1098579489.db2.gz DZYWECDZWHHJJO-SFHVURJKSA-N 0 3 320.864 3.030 20 30 DGEDHN N#Cc1ccccc1CNCCCCCCNC(=O)C1CCC1 ZINC001177730529 1098582697 /nfs/dbraw/zinc/58/26/97/1098582697.db2.gz NRUUVVGNGCHCPE-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC[C@H]1CCCCO1 ZINC001234536017 1098586661 /nfs/dbraw/zinc/58/66/61/1098586661.db2.gz AWQIBANRVFRSGJ-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC[C@@H]1CCCCO1 ZINC001234536019 1098587261 /nfs/dbraw/zinc/58/72/61/1098587261.db2.gz AWQIBANRVFRSGJ-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2ccc(F)cc2o1 ZINC001177904241 1098643366 /nfs/dbraw/zinc/64/33/66/1098643366.db2.gz KDDNOVAXYGXYBT-SECBINFHSA-N 0 3 315.329 3.349 20 30 DGEDHN C/C=C(\C)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001178149611 1098725004 /nfs/dbraw/zinc/72/50/04/1098725004.db2.gz XVYXNMIXNRUKKJ-HQYXKAPLSA-N 0 3 313.445 3.291 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CC(C)(C)C ZINC001178131735 1098733528 /nfs/dbraw/zinc/73/35/28/1098733528.db2.gz ZPVUXUOBEBSFSR-WMZOPIPTSA-N 0 3 312.457 3.053 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCC2CCCCC2)C[C@@H]1C ZINC001281681431 1098836960 /nfs/dbraw/zinc/83/69/60/1098836960.db2.gz AXEYNWJRDBGFMG-FUHWJXTLSA-N 0 3 304.478 3.339 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cnc(C)o1 ZINC001235303551 1098950545 /nfs/dbraw/zinc/95/05/45/1098950545.db2.gz MCTIKEWRSRKGRA-MRXNPFEDSA-N 0 3 321.465 3.029 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001235375888 1098986581 /nfs/dbraw/zinc/98/65/81/1098986581.db2.gz LYZLXASZAUKDNL-TUYSUELWSA-N 0 3 315.461 3.177 20 30 DGEDHN N#CCc1ccccc1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001235522122 1099070884 /nfs/dbraw/zinc/07/08/84/1099070884.db2.gz ACPPPFIOXVPMQU-UHFFFAOYSA-N 0 3 324.399 3.375 20 30 DGEDHN N#CCc1ccccc1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001235527610 1099075981 /nfs/dbraw/zinc/07/59/81/1099075981.db2.gz KDXACLNZVGGHPO-OALUTQOASA-N 0 3 315.436 3.151 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2CC#N)CCN1Cc1ccccc1 ZINC001235525553 1099076124 /nfs/dbraw/zinc/07/61/24/1099076124.db2.gz NVHUZLIULRFVHH-SFHVURJKSA-N 0 3 319.452 3.459 20 30 DGEDHN N#CCc1ccccc1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001235528720 1099077464 /nfs/dbraw/zinc/07/74/64/1099077464.db2.gz SPTRERASROMFPS-LJQANCHMSA-N 0 3 307.397 3.191 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001179364001 1099083084 /nfs/dbraw/zinc/08/30/84/1099083084.db2.gz DDNIIGSPWXRBNS-XEZPLFJOSA-N 0 3 321.490 3.133 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001179364000 1099084012 /nfs/dbraw/zinc/08/40/12/1099084012.db2.gz DDNIIGSPWXRBNS-WWGRRREGSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001235549452 1099084494 /nfs/dbraw/zinc/08/44/94/1099084494.db2.gz DYLIZMLSJCQXKF-GOSISDBHSA-N 0 3 315.461 3.147 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179384540 1099087874 /nfs/dbraw/zinc/08/78/74/1099087874.db2.gz PQMYJJUMCAKUKG-AVGNSLFASA-N 0 3 319.276 3.487 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001179384660 1099088529 /nfs/dbraw/zinc/08/85/29/1099088529.db2.gz SVDVFWIBPAVGIP-NOLJZWGESA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001235725909 1099149538 /nfs/dbraw/zinc/14/95/38/1099149538.db2.gz VCGLPHZNCGKZDM-IUODEOHRSA-N 0 3 321.490 3.261 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C\c1ccc(C)cc1)C2 ZINC001110233833 1099278977 /nfs/dbraw/zinc/27/89/77/1099278977.db2.gz UZARBPGAZAHTPT-ZOYAEOFMSA-N 0 3 322.452 3.143 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccnn1-c1ccncc1 ZINC001180340565 1099376689 /nfs/dbraw/zinc/37/66/89/1099376689.db2.gz XOBXTBBRRQDZQY-UHFFFAOYSA-N 0 3 308.385 3.091 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001187557144 1099535322 /nfs/dbraw/zinc/53/53/22/1099535322.db2.gz OZSWFNYDTVRZFH-OFLPRAFFSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001187729641 1099589845 /nfs/dbraw/zinc/58/98/45/1099589845.db2.gz PXWZRGNNJWQOKR-WLTZFMEZSA-N 0 3 322.452 3.036 20 30 DGEDHN Cc1nc(C#N)cnc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236470926 1099629708 /nfs/dbraw/zinc/62/97/08/1099629708.db2.gz MPLJDUUEVZAPEV-MOPGFXCFSA-N 0 3 316.408 3.477 20 30 DGEDHN N#Cc1cnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001236470450 1099630080 /nfs/dbraw/zinc/63/00/80/1099630080.db2.gz XRJGLKDGSDSZEA-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001188013066 1099665834 /nfs/dbraw/zinc/66/58/34/1099665834.db2.gz VAVGUMVAWUIKNJ-VQTJNVASSA-N 0 3 324.468 3.488 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)C)c(Cl)c2)C1 ZINC001188256489 1099729776 /nfs/dbraw/zinc/72/97/76/1099729776.db2.gz CFHHATHYQNREOF-OAHLLOKOSA-N 0 3 318.848 3.291 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCC[C@@H]1CNCCF)c1ccccc1 ZINC001278015305 1099808691 /nfs/dbraw/zinc/80/86/91/1099808691.db2.gz BMTQBLCSUDLXMG-MSOLQXFVSA-N 0 3 318.436 3.287 20 30 DGEDHN CN(Cc1ccc(C#N)c(Br)c1)C[C@H]1CCCCO1 ZINC001236863922 1099840912 /nfs/dbraw/zinc/84/09/12/1099840912.db2.gz PPHWHLJQGSDOSN-CQSZACIVSA-N 0 3 323.234 3.322 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1occc1[S-])C2 ZINC001237178207 1100016091 /nfs/dbraw/zinc/01/60/91/1100016091.db2.gz WHKCLQPGJDISER-IAGOWNOFSA-N 0 3 323.458 3.142 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1occc1[S-])C2 ZINC001237178207 1100016097 /nfs/dbraw/zinc/01/60/97/1100016097.db2.gz WHKCLQPGJDISER-IAGOWNOFSA-N 0 3 323.458 3.142 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1occc1[S-])CC2 ZINC001237181546 1100018003 /nfs/dbraw/zinc/01/80/03/1100018003.db2.gz RVCLSAVENLNEIM-KRWDZBQOSA-N 0 3 320.458 3.101 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1occc1[S-])CC2 ZINC001237181546 1100018008 /nfs/dbraw/zinc/01/80/08/1100018008.db2.gz RVCLSAVENLNEIM-KRWDZBQOSA-N 0 3 320.458 3.101 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001278079989 1100060232 /nfs/dbraw/zinc/06/02/32/1100060232.db2.gz NREQWSSLJUKZHZ-QGZVFWFLSA-N 0 3 312.457 3.093 20 30 DGEDHN COc1cccc([C@H]2CCCN(Cc3ccnc(C#N)c3)C2)c1 ZINC001237463234 1100132363 /nfs/dbraw/zinc/13/23/63/1100132363.db2.gz OOZFSWMTVZXYQS-KRWDZBQOSA-N 0 3 307.397 3.341 20 30 DGEDHN CCN(Cc1cn(C)c2ccc(C#N)cc12)Cc1cccnc1 ZINC001237470304 1100135917 /nfs/dbraw/zinc/13/59/17/1100135917.db2.gz HQUBTIMNIILQIT-UHFFFAOYSA-N 0 3 304.397 3.467 20 30 DGEDHN CCOC(=O)Cc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC001237484660 1100139271 /nfs/dbraw/zinc/13/92/71/1100139271.db2.gz GCFHABUKJFISMT-UHFFFAOYSA-N 0 3 322.408 3.296 20 30 DGEDHN N#Cc1cccc(C2CCN(Cc3cccc(C(N)=O)c3)CC2)c1 ZINC001237695477 1100216372 /nfs/dbraw/zinc/21/63/72/1100216372.db2.gz OIRDTNLYDUHYJH-UHFFFAOYSA-N 0 3 319.408 3.037 20 30 DGEDHN CC(C)Oc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001238694603 1100503494 /nfs/dbraw/zinc/50/34/94/1100503494.db2.gz HZEFQTZTLMSGFR-MRXNPFEDSA-N 0 3 321.417 3.387 20 30 DGEDHN Cc1cc(NC(=O)N2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001191751461 1100512696 /nfs/dbraw/zinc/51/26/96/1100512696.db2.gz MYKJSFPWFMKOPQ-CYBMUJFWSA-N 0 3 322.817 3.454 20 30 DGEDHN CCc1cc(CN2CCC3(C[C@@H](F)CO3)CC2)ccc1C#N ZINC001238770163 1100524211 /nfs/dbraw/zinc/52/42/11/1100524211.db2.gz YROMWMKWTAQCGH-QGZVFWFLSA-N 0 3 302.393 3.214 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001191889057 1100539234 /nfs/dbraw/zinc/53/92/34/1100539234.db2.gz AFWKSCKDUSEALL-ROUUACIJSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCc2ccccc2F)C1 ZINC001192093093 1100568560 /nfs/dbraw/zinc/56/85/60/1100568560.db2.gz HIFPDJDRNWIPIX-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN CC[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(F)c(C#N)c1 ZINC001152013631 1100596193 /nfs/dbraw/zinc/59/61/93/1100596193.db2.gz OUWHEDTVFNWCHN-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN CCCCCCCCCOC(=O)NC[C@@H]1CCNC[C@@H]1F ZINC001239320722 1100631326 /nfs/dbraw/zinc/63/13/26/1100631326.db2.gz XMMOXHFNWKLNDT-GJZGRUSLSA-N 0 3 302.434 3.411 20 30 DGEDHN CCCCCCCCCCOC(=O)N[C@H](C)[C@H]1CNCCO1 ZINC001239321507 1100631501 /nfs/dbraw/zinc/63/15/01/1100631501.db2.gz TXLQQZIKPABAMB-HZPDHXFCSA-N 0 3 314.470 3.230 20 30 DGEDHN CCCCCCCCCCNC(=S)N1CC[C@@H](F)[C@H](N)C1 ZINC001239440219 1100667352 /nfs/dbraw/zinc/66/73/52/1100667352.db2.gz CCXCANDTHFXLRG-HUUCEWRRSA-N 0 3 317.518 3.373 20 30 DGEDHN Cc1cccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001239489135 1100676472 /nfs/dbraw/zinc/67/64/72/1100676472.db2.gz ZCXOVOIXZXIPGY-CQSZACIVSA-N 0 3 309.369 3.401 20 30 DGEDHN CCCCCCCOC(=O)N(CCOC)C1CCN(C)CC1 ZINC001194002851 1100851722 /nfs/dbraw/zinc/85/17/22/1100851722.db2.gz ANPTULQHBRGOAZ-UHFFFAOYSA-N 0 3 314.470 3.136 20 30 DGEDHN Cc1cc(-c2cccc(CN3CCN(C)CC3)c2)ccc1CC#N ZINC001240299630 1100931594 /nfs/dbraw/zinc/93/15/94/1100931594.db2.gz RHYNHQBOKRMUMR-UHFFFAOYSA-N 0 3 319.452 3.476 20 30 DGEDHN N#Cc1cc(-c2cncc([C@H]3CN4CCC3CC4)n2)ccc1Cl ZINC001240401021 1100977862 /nfs/dbraw/zinc/97/78/62/1100977862.db2.gz HRMLNAICJFBNLI-HNNXBMFYSA-N 0 3 324.815 3.478 20 30 DGEDHN Cc1cc(CC#N)ccc1-c1ccc(CN2CCN(C)CC2)cc1 ZINC001240408493 1100983144 /nfs/dbraw/zinc/98/31/44/1100983144.db2.gz MAGFVWCVUAXIIQ-UHFFFAOYSA-N 0 3 319.452 3.476 20 30 DGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC001195497275 1101150417 /nfs/dbraw/zinc/15/04/17/1101150417.db2.gz HEONPCARIBTJNS-PBHICJAKSA-N 0 3 314.429 3.358 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2sccc2F)CC1 ZINC001195726232 1101181401 /nfs/dbraw/zinc/18/14/01/1101181401.db2.gz BJXGGRBMNBFSIC-CYBMUJFWSA-N 0 3 310.438 3.390 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2sccc2F)CC1 ZINC001195726234 1101181724 /nfs/dbraw/zinc/18/17/24/1101181724.db2.gz BJXGGRBMNBFSIC-ZDUSSCGKSA-N 0 3 310.438 3.390 20 30 DGEDHN CC(C)C#CC(=O)N1CCCN(CC/C=C/c2ccccc2)CC1 ZINC001195775161 1101200213 /nfs/dbraw/zinc/20/02/13/1101200213.db2.gz OVPVDKDTLKBIRI-IZZDOVSWSA-N 0 3 324.468 3.284 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC001195946721 1101229618 /nfs/dbraw/zinc/22/96/18/1101229618.db2.gz MOLFGIJLFQJNPW-MRXNPFEDSA-N 0 3 316.445 3.367 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC001195946718 1101229912 /nfs/dbraw/zinc/22/99/12/1101229912.db2.gz MOLFGIJLFQJNPW-INIZCTEOSA-N 0 3 316.445 3.367 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC3=CCCCC3)CC2)CCC1 ZINC001196138075 1101255359 /nfs/dbraw/zinc/25/53/59/1101255359.db2.gz ILCNMXQLSFVPSR-UHFFFAOYSA-N 0 3 314.473 3.215 20 30 DGEDHN C=C1CCC(C(=O)N2CCCN(CCCCCF)CC2)CC1 ZINC001197044202 1101459159 /nfs/dbraw/zinc/45/91/59/1101459159.db2.gz OQDKACHGNNVMEM-UHFFFAOYSA-N 0 3 310.457 3.407 20 30 DGEDHN C=CCCN1CCCN(C(=O)C2(CCOCC)CCCC2)CC1 ZINC001197553689 1101598105 /nfs/dbraw/zinc/59/81/05/1101598105.db2.gz BQRVZNUJKIFQPH-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccoc2CCC)CC1 ZINC001197809971 1101671875 /nfs/dbraw/zinc/67/18/75/1101671875.db2.gz PHZCOZMZXIIMBD-UHFFFAOYSA-N 0 3 304.434 3.346 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)/C=C\C(C)(C)C)C2 ZINC001278335940 1101700757 /nfs/dbraw/zinc/70/07/57/1101700757.db2.gz MVMOZUCMWHWQPI-XADARROHSA-N 0 3 316.489 3.317 20 30 DGEDHN Cc1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001197974949 1101722989 /nfs/dbraw/zinc/72/29/89/1101722989.db2.gz MLAZNXUAFRVPPS-AWEZNQCLSA-N 0 3 318.467 3.274 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1C ZINC001198242287 1101795385 /nfs/dbraw/zinc/79/53/85/1101795385.db2.gz WYCMMZDUAPYBRU-AWEZNQCLSA-N 0 3 306.837 3.337 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC001198358670 1101844010 /nfs/dbraw/zinc/84/40/10/1101844010.db2.gz SWWIARTUFKDJIH-CYBMUJFWSA-N 0 3 310.438 3.390 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)CCC)c1ccccc1OC ZINC001198492731 1101874701 /nfs/dbraw/zinc/87/47/01/1101874701.db2.gz TWVIBJQOSNHQFK-INIZCTEOSA-N 0 3 304.434 3.208 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)[C@H](C)CC)c1ccccc1OC ZINC001198540784 1101912601 /nfs/dbraw/zinc/91/26/01/1101912601.db2.gz HSAFDVYAHSKDSO-WBVHZDCISA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCCCC)c1ccccc1OC ZINC001198595029 1101920576 /nfs/dbraw/zinc/92/05/76/1101920576.db2.gz GCBJFROCMWGMDV-MRXNPFEDSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C[C@@H](C)CC)c1ccccc1OC ZINC001198696434 1101949848 /nfs/dbraw/zinc/94/98/48/1101949848.db2.gz ZFYICQMBUZHHLV-DOTOQJQBSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CCC(=C)C)c1ccccc1OC ZINC001198752614 1101976844 /nfs/dbraw/zinc/97/68/44/1101976844.db2.gz RBJYIZDDDKYGSI-KRWDZBQOSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1OC ZINC001198834853 1101990524 /nfs/dbraw/zinc/99/05/24/1101990524.db2.gz OZFFGEWDTWTVBU-OIISXLGYSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198856150 1102001995 /nfs/dbraw/zinc/00/19/95/1102001995.db2.gz FXIDEPOQRPAVNK-NVXWUHKLSA-N 0 3 318.461 3.454 20 30 DGEDHN C#Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001242293883 1102035443 /nfs/dbraw/zinc/03/54/43/1102035443.db2.gz RPXXUYKYDRORSY-OAHLLOKOSA-N 0 3 319.364 3.074 20 30 DGEDHN Cc1cc(C#N)cc(-c2cncc([C@H]3CN4CCC3CC4)n2)c1 ZINC001242478167 1102156806 /nfs/dbraw/zinc/15/68/06/1102156806.db2.gz AWEYAQIHMHEEQZ-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCO[C@H](C)CC(C)C)C2 ZINC001110550171 1102327616 /nfs/dbraw/zinc/32/76/16/1102327616.db2.gz DUARNGJCPUELDA-TVFCKZIOSA-N 0 3 322.493 3.125 20 30 DGEDHN Cc1cc(-c2cncc([C@H]3CN4CCC3CC4)n2)ccc1C#N ZINC001242767081 1102329175 /nfs/dbraw/zinc/32/91/75/1102329175.db2.gz DLMQZKGBCIIXNJ-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN Cc1cc(C)cc(NC(=S)N2CCC3SC(=O)C=C3C2)c1 ZINC001201200604 1102518246 /nfs/dbraw/zinc/51/82/46/1102518246.db2.gz MCMKBFKBKIUXSC-AWEZNQCLSA-N 0 3 318.467 3.274 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC001202108666 1102821247 /nfs/dbraw/zinc/82/12/47/1102821247.db2.gz MBCUOUXHFHGCTJ-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202131413 1102847983 /nfs/dbraw/zinc/84/79/83/1102847983.db2.gz XESRUHFSGSSWHS-YGYTWAPGSA-N 0 3 319.276 3.488 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc4c(c3)CC/C4=N/O)c2)CC1 ZINC001243670568 1102905320 /nfs/dbraw/zinc/90/53/20/1102905320.db2.gz JLUPBYGJNHOUNF-MRCUWXFGSA-N 0 3 321.424 3.230 20 30 DGEDHN N#C[C@@H]1CC=C(c2cccc3cc([C@@H]4CNCCO4)cn32)CC1 ZINC001243795723 1102982440 /nfs/dbraw/zinc/98/24/40/1102982440.db2.gz UJCDSMLFJSTSEV-KUHUBIRLSA-N 0 3 307.397 3.307 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001111061599 1103031837 /nfs/dbraw/zinc/03/18/37/1103031837.db2.gz DZBFTHPCRCCGOW-HZMVEIRTSA-N 0 3 304.478 3.194 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001111072829 1103034893 /nfs/dbraw/zinc/03/48/93/1103034893.db2.gz VKJFIPAEEDQVKM-ZACQAIPSSA-N 0 3 322.493 3.125 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC1CCCCC1)C2 ZINC001111093436 1103043674 /nfs/dbraw/zinc/04/36/74/1103043674.db2.gz CPZFPODEROHGMF-OWYHZJEWSA-N 0 3 316.489 3.338 20 30 DGEDHN C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC001325563191 1103068897 /nfs/dbraw/zinc/06/88/97/1103068897.db2.gz DIXPIYNAPJLSOK-JTOWHCCKSA-N 0 3 305.466 3.226 20 30 DGEDHN CCN1CCN(c2ccc(NC3=CC[C@@H](C#N)CC3)cc2)CC1 ZINC001212861056 1103095573 /nfs/dbraw/zinc/09/55/73/1103095573.db2.gz MTCQUFSWDCTYIA-MRXNPFEDSA-N 0 3 310.445 3.448 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001488667308 1103096887 /nfs/dbraw/zinc/09/68/87/1103096887.db2.gz OESWIWDQKRDSHN-GJZGRUSLSA-N 0 3 319.449 3.299 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC1CCCCC1 ZINC001325677142 1103099153 /nfs/dbraw/zinc/09/91/53/1103099153.db2.gz IETFDVUZFNHRTP-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1 ZINC001325707912 1103105742 /nfs/dbraw/zinc/10/57/42/1103105742.db2.gz GTHOXQXMWWBYHO-UHFFFAOYSA-N 0 3 320.436 3.169 20 30 DGEDHN CCCCCCC[C@H](C)N1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001258043366 1103120018 /nfs/dbraw/zinc/12/00/18/1103120018.db2.gz NTWZZCWRYHGVCR-HOCLYGCPSA-N 0 3 312.498 3.336 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)C1CC1)C2 ZINC001095757986 1103136245 /nfs/dbraw/zinc/13/62/45/1103136245.db2.gz MJOJQMYWIFNOKG-FUMNGEBKSA-N 0 3 324.468 3.478 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001488746531 1103157480 /nfs/dbraw/zinc/15/74/80/1103157480.db2.gz CDQUDGNHQLUMQM-NFAWXSAZSA-N 0 3 300.874 3.296 20 30 DGEDHN Cc1ccc(CN2CCCN(c3cc(C)ncc3C#N)CC2)cc1 ZINC001325909084 1103159834 /nfs/dbraw/zinc/15/98/34/1103159834.db2.gz LUCRVBHSHQJWFU-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCCCC)C2 ZINC001111313508 1103205912 /nfs/dbraw/zinc/20/59/12/1103205912.db2.gz IJFDDBXWOAJCCQ-KURKYZTESA-N 0 3 304.478 3.482 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1c[nH]cc1C ZINC001489002917 1103244183 /nfs/dbraw/zinc/24/41/83/1103244183.db2.gz PERHSQRZTUYPRZ-MLGOLLRUSA-N 0 3 323.868 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001326413191 1103305160 /nfs/dbraw/zinc/30/51/60/1103305160.db2.gz XUNPAGOIGSEQAM-LBPRGKRZSA-N 0 3 320.811 3.003 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001326480116 1103333102 /nfs/dbraw/zinc/33/31/02/1103333102.db2.gz LJCKUQKXGJLMOS-QLIIJSOBSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001326480114 1103333202 /nfs/dbraw/zinc/33/32/02/1103333202.db2.gz LJCKUQKXGJLMOS-GEALJGNFSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@@H]1C ZINC001489286536 1103341733 /nfs/dbraw/zinc/34/17/33/1103341733.db2.gz IESBQVADTDANBZ-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)cc1C ZINC001489333410 1103363760 /nfs/dbraw/zinc/36/37/60/1103363760.db2.gz NLKZXUMZDNTFEW-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C=C(\C)CC)cccc2C1 ZINC001326674055 1103404009 /nfs/dbraw/zinc/40/40/09/1103404009.db2.gz HRPGORQBGHZWGB-DTQAZKPQSA-N 0 3 310.441 3.041 20 30 DGEDHN CC#CCNC1(CNC(=O)CC2CC(c3ccccc3)C2)CCC1 ZINC001326847212 1103461210 /nfs/dbraw/zinc/46/12/10/1103461210.db2.gz XJDQCATYLVZFOC-UHFFFAOYSA-N 0 3 324.468 3.222 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001276318589 1103485468 /nfs/dbraw/zinc/48/54/68/1103485468.db2.gz DIOFKFKMEOANHB-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1sccc1C1CC1 ZINC001276365437 1103565474 /nfs/dbraw/zinc/56/54/74/1103565474.db2.gz IDXGFDZFEKXUQS-UHFFFAOYSA-N 0 3 312.866 3.430 20 30 DGEDHN CCCCC(=O)NCCCN(CC)CC#Cc1ccc(F)cc1 ZINC001490317703 1103565911 /nfs/dbraw/zinc/56/59/11/1103565911.db2.gz JDDFJVQOHJTIOY-UHFFFAOYSA-N 0 3 318.436 3.196 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(C#N)s1 ZINC001327194963 1103577722 /nfs/dbraw/zinc/57/77/22/1103577722.db2.gz KZAJTQVLUBSYAR-UHFFFAOYSA-N 0 3 306.431 3.316 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001327212221 1103585800 /nfs/dbraw/zinc/58/58/00/1103585800.db2.gz BPKQAIBQWDWBJV-UHFFFAOYSA-N 0 3 303.450 3.027 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001327213122 1103587923 /nfs/dbraw/zinc/58/79/23/1103587923.db2.gz LMPIEOLOTUTMQC-UHFFFAOYSA-N 0 3 303.450 3.027 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(C2CC2)cc1)C1CC1 ZINC001490393536 1103589777 /nfs/dbraw/zinc/58/97/77/1103589777.db2.gz SKGKWYMKUYLBMU-UHFFFAOYSA-N 0 3 310.441 3.172 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001490450624 1103609609 /nfs/dbraw/zinc/60/96/09/1103609609.db2.gz TVXCEDVCHFZWBC-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)(C)C=C)C1 ZINC001327308604 1103620856 /nfs/dbraw/zinc/62/08/56/1103620856.db2.gz PNOVATFWEVSLAF-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001490555186 1103651925 /nfs/dbraw/zinc/65/19/25/1103651925.db2.gz CLMAEJQESLGPFZ-LJQANCHMSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CC[C@@H](C)F ZINC001327506656 1103664350 /nfs/dbraw/zinc/66/43/50/1103664350.db2.gz HJXZRVKOBZRJDM-QAPCUYQASA-N 0 3 318.436 3.244 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001490594617 1103671957 /nfs/dbraw/zinc/67/19/57/1103671957.db2.gz HEEIZZGVGBAMPI-PODYEWJSSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](CC)CCCC)CC1 ZINC001490596694 1103673643 /nfs/dbraw/zinc/67/36/43/1103673643.db2.gz AYVAYIHDFHBHSL-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001490610986 1103678679 /nfs/dbraw/zinc/67/86/79/1103678679.db2.gz PSHOSPIWURYGLU-ZWKOTPCHSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001490611549 1103680562 /nfs/dbraw/zinc/68/05/62/1103680562.db2.gz XBZGIJGJJGFXPU-VZSQWMKGSA-N 0 3 322.452 3.002 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001276377643 1103698700 /nfs/dbraw/zinc/69/87/00/1103698700.db2.gz WYKCKDGKYOICDV-INIZCTEOSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCCCC[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001327826063 1103733952 /nfs/dbraw/zinc/73/39/52/1103733952.db2.gz BLYBPMYIYUPEMN-WBVHZDCISA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001096051092 1103739191 /nfs/dbraw/zinc/73/91/91/1103739191.db2.gz BMARAWKCDDOARS-BVGQSLNGSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001490789555 1103744307 /nfs/dbraw/zinc/74/43/07/1103744307.db2.gz NIVPITNNTCKPJO-HRCADAONSA-N 0 3 315.461 3.221 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)C)no1)C2 ZINC001096102115 1103755987 /nfs/dbraw/zinc/75/59/87/1103755987.db2.gz CFLQDDBZDVLMRW-KBMXLJTQSA-N 0 3 317.433 3.099 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)ccc1C)C2 ZINC001096196980 1103782257 /nfs/dbraw/zinc/78/22/57/1103782257.db2.gz JSFCDDXSDBOXLG-PVAVHDDUSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3sccc3[nH]1)C2 ZINC001096280850 1103792492 /nfs/dbraw/zinc/79/24/92/1103792492.db2.gz GDKICSQUHJSWDK-ZLDLUXBVSA-N 0 3 315.442 3.141 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ccn(C)c3c1)C2 ZINC001096285970 1103794850 /nfs/dbraw/zinc/79/48/50/1103794850.db2.gz MXWFVQOMLGVIQJ-SQNIBIBYSA-N 0 3 323.440 3.090 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@H]1C ZINC001490797982 1103834374 /nfs/dbraw/zinc/83/43/74/1103834374.db2.gz CHYXDFNAXDBOTG-VXIBKDFQSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1Cl)C2 ZINC001096490198 1103849557 /nfs/dbraw/zinc/84/95/57/1103849557.db2.gz XVJMQELMWLELBV-PVAVHDDUSA-N 0 3 318.848 3.180 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCC3)C2 ZINC001096518800 1103855715 /nfs/dbraw/zinc/85/57/15/1103855715.db2.gz BPCBZRQZTBCXMN-QYZOEREBSA-N 0 3 310.441 3.087 20 30 DGEDHN C=C[C@](C)(O)CNCc1ccc(Br)cc1Cl ZINC001252584572 1103872524 /nfs/dbraw/zinc/87/25/24/1103872524.db2.gz BUHLBYWRZASBEM-LBPRGKRZSA-N 0 3 304.615 3.129 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1C)C2 ZINC001096593520 1103882358 /nfs/dbraw/zinc/88/23/58/1103882358.db2.gz OKPQAYZANXAYMB-NBMJBFSESA-N 0 3 312.457 3.396 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001328377943 1103927190 /nfs/dbraw/zinc/92/71/90/1103927190.db2.gz QWUNKRQGPFXFQG-BLLLJJGKSA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C(C)C)nc1C ZINC001328414092 1103938595 /nfs/dbraw/zinc/93/85/95/1103938595.db2.gz ZTNBAUOBMONMCE-ZDUSSCGKSA-N 0 3 323.868 3.364 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1c2ccccc2CCN1CCC=C ZINC001328470178 1103959466 /nfs/dbraw/zinc/95/94/66/1103959466.db2.gz VIMJHRAVVIAWAM-IBGZPJMESA-N 0 3 310.441 3.082 20 30 DGEDHN C=CCCCC(=O)N1CCC2(CC1)CN(CCC(C)C)CCO2 ZINC001328493062 1103966878 /nfs/dbraw/zinc/96/68/78/1103966878.db2.gz YVYBKADMDNVLPI-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN O/N=C1/CCc2cc(C3=CC[C@H](N4CCOCC4)CC3)ccc21 ZINC001245426839 1104047188 /nfs/dbraw/zinc/04/71/88/1104047188.db2.gz KCRFGXRRFAUKFT-SKQREZPOSA-N 0 3 312.413 3.079 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cscc1C(F)F ZINC001328738400 1104049227 /nfs/dbraw/zinc/04/92/27/1104049227.db2.gz UKVNGSORDWGDET-LLVKDONJSA-N 0 3 314.401 3.408 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001202592649 1104070621 /nfs/dbraw/zinc/07/06/21/1104070621.db2.gz VHKQHGPSXCPYGO-IAGOWNOFSA-N 0 3 316.420 3.309 20 30 DGEDHN N#Cc1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc1 ZINC001245496874 1104087677 /nfs/dbraw/zinc/08/76/77/1104087677.db2.gz IPYPVFFSCAYGHI-LJQANCHMSA-N 0 3 303.365 3.139 20 30 DGEDHN Cc1cccc(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)c1 ZINC001328977421 1104112161 /nfs/dbraw/zinc/11/21/61/1104112161.db2.gz IUENIFJAXLNBNG-QZTJIDSGSA-N 0 3 320.436 3.143 20 30 DGEDHN Cc1ccc(C#N)c(-c2cncc([C@H]3CN4CCC3CC4)n2)c1 ZINC001245603314 1104147068 /nfs/dbraw/zinc/14/70/68/1104147068.db2.gz NDRMXETWDIOPQD-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1ccc(Sc2ccccn2)o1 ZINC001329173730 1104178854 /nfs/dbraw/zinc/17/88/54/1104178854.db2.gz QNCKDZWNGUNKQL-AWEZNQCLSA-N 0 3 316.426 3.344 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CCCc1ccccc1Cl ZINC001329460760 1104271746 /nfs/dbraw/zinc/27/17/46/1104271746.db2.gz RXCUTILNJASMBU-CQSZACIVSA-N 0 3 308.853 3.285 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccnc(Cl)c1 ZINC001274252999 1104337230 /nfs/dbraw/zinc/33/72/30/1104337230.db2.gz HIQCGDHBHBLVLP-WAYWQWQTSA-N 0 3 321.852 3.099 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@@H]1CNCc2ccsc21 ZINC001245985533 1104346618 /nfs/dbraw/zinc/34/66/18/1104346618.db2.gz RAYWZEMQSITXNN-HZPDHXFCSA-N 0 3 308.491 3.370 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC001278438857 1104459152 /nfs/dbraw/zinc/45/91/52/1104459152.db2.gz XZSKRMDSSCJGOL-FXAWDEMLSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)Cc1ccccc1 ZINC001274835288 1104515044 /nfs/dbraw/zinc/51/50/44/1104515044.db2.gz ICGRVKMBENDHOT-HIFRSBDPSA-N 0 3 308.853 3.102 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC(=C)C)C1 ZINC001279172490 1104552016 /nfs/dbraw/zinc/55/20/16/1104552016.db2.gz LPLQWQZDXWKWOF-KBPBESRZSA-N 0 3 318.383 3.288 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001330613198 1104592925 /nfs/dbraw/zinc/59/29/25/1104592925.db2.gz KIHZGJKAWOAAAU-CZIWCDLHSA-N 0 3 320.864 3.028 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)CCC ZINC001275063897 1104601847 /nfs/dbraw/zinc/60/18/47/1104601847.db2.gz XSGXPLSRDNNOHU-QKYXUNIQSA-N 0 3 312.457 3.208 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNCC(=C)Cl)C2)cc1 ZINC001330662323 1104609805 /nfs/dbraw/zinc/60/98/05/1104609805.db2.gz NTKZLCLMVBXIBQ-KOMQPUFPSA-N 0 3 304.821 3.180 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1c(F)cccc1Cl ZINC001275159199 1104656440 /nfs/dbraw/zinc/65/64/40/1104656440.db2.gz ABKBVSFTMOZDSQ-CYBMUJFWSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C[C@H](COC)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001330867740 1104666471 /nfs/dbraw/zinc/66/64/71/1104666471.db2.gz PMDAWUMOIODWMU-MWQQHZPXSA-N 0 3 307.459 3.115 20 30 DGEDHN CC#CCCCC(=O)N1CCC([C@@H]2CCCN(CCF)C2)CC1 ZINC001275183383 1104668346 /nfs/dbraw/zinc/66/83/46/1104668346.db2.gz FFMGVHDLRRGIIA-GOSISDBHSA-N 0 3 322.468 3.100 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001275323662 1104723147 /nfs/dbraw/zinc/72/31/47/1104723147.db2.gz KQJHLNNPFPNPFF-NVPAJSRCSA-N 0 3 320.864 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001275463860 1104767368 /nfs/dbraw/zinc/76/73/68/1104767368.db2.gz ZSUXQVMBGXSJTA-CHWSQXEVSA-N 0 3 319.474 3.205 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)CCC1 ZINC001275482792 1104773070 /nfs/dbraw/zinc/77/30/70/1104773070.db2.gz VQUQPZAJWVANGI-ROUUACIJSA-N 0 3 324.468 3.267 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)CCC1 ZINC001275482790 1104773530 /nfs/dbraw/zinc/77/35/30/1104773530.db2.gz VQUQPZAJWVANGI-MSOLQXFVSA-N 0 3 324.468 3.267 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)CCc1csc(C)n1 ZINC001275565100 1104812259 /nfs/dbraw/zinc/81/22/59/1104812259.db2.gz BBZOHPUVXVHOKY-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN CCCCCCCCNC(=S)NC1CCN(C2CC2)CC1 ZINC001247172426 1104826972 /nfs/dbraw/zinc/82/69/72/1104826972.db2.gz ZPLFGOYFWJHUSR-UHFFFAOYSA-N 0 3 311.539 3.438 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001280742738 1104897902 /nfs/dbraw/zinc/89/79/02/1104897902.db2.gz BRPOHOSZVXHDCT-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CCc1ccc(C(C)C)cc1 ZINC001275882854 1104943339 /nfs/dbraw/zinc/94/33/39/1104943339.db2.gz UWXSZYPJRKIPEC-MRXNPFEDSA-N 0 3 302.462 3.365 20 30 DGEDHN C[C@H](CNC(=O)CCCC1CC1)N(C)Cc1ccc(C#N)cc1 ZINC001275904794 1104948854 /nfs/dbraw/zinc/94/88/54/1104948854.db2.gz NXTAJEWUWGFJPL-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001275929003 1104959530 /nfs/dbraw/zinc/95/95/30/1104959530.db2.gz WGUBHSXNWSIWKW-HOTGVXAUSA-N 0 3 302.462 3.365 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001275994746 1104982908 /nfs/dbraw/zinc/98/29/08/1104982908.db2.gz XLKNCLJTPWFEHA-CHWSQXEVSA-N 0 3 306.475 3.109 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)nn1C ZINC001276040716 1105003420 /nfs/dbraw/zinc/00/34/20/1105003420.db2.gz RIDQMNIPLBYDBS-HDICACEKSA-N 0 3 316.493 3.124 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001276052459 1105005925 /nfs/dbraw/zinc/00/59/25/1105005925.db2.gz IQRXAJMUWMVSLB-UHFFFAOYSA-N 0 3 320.864 3.200 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCCN1Cc1cncc(C)c1 ZINC001276289647 1105079671 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Cc1sc(N=C2CCC(N3CCOCC3)CC2)c(C#N)c1C ZINC001249552983 1105310972 /nfs/dbraw/zinc/31/09/72/1105310972.db2.gz TYLSPYOVGJZIGN-OAHLLOKOSA-N 0 3 317.458 3.417 20 30 DGEDHN Cc1cc(C#N)cc(C)c1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249558942 1105314247 /nfs/dbraw/zinc/31/42/47/1105314247.db2.gz NVVBFTNWTGRUPO-GOSISDBHSA-N 0 3 311.429 3.356 20 30 DGEDHN N#Cc1c(F)cc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1F ZINC001249560525 1105315552 /nfs/dbraw/zinc/31/55/52/1105315552.db2.gz AIJUSPHFQFUODH-CQSZACIVSA-N 0 3 319.355 3.017 20 30 DGEDHN N#Cc1cc(F)c(F)cc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249566722 1105317089 /nfs/dbraw/zinc/31/70/89/1105317089.db2.gz GBNQNYRVEJRKNW-AWEZNQCLSA-N 0 3 319.355 3.017 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C(C)C)oc1C)C2 ZINC001097067284 1105338948 /nfs/dbraw/zinc/33/89/48/1105338948.db2.gz FERDGHYIBZKFAV-KFWWJZLASA-N 0 3 317.433 3.018 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(o1)CCCC3)C2 ZINC001097200533 1105362982 /nfs/dbraw/zinc/36/29/82/1105362982.db2.gz PUJOWJBYBNKGCK-OAGGEKHMSA-N 0 3 314.429 3.070 20 30 DGEDHN CC(C)=CCN1CCC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001278533059 1105371064 /nfs/dbraw/zinc/37/10/64/1105371064.db2.gz MOVNBZNQPDQWEV-QUCCMNQESA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)C2 ZINC001097540428 1105407979 /nfs/dbraw/zinc/40/79/79/1105407979.db2.gz MJOJQMYWIFNOKG-YSTOQKLRSA-N 0 3 324.468 3.478 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C(C)C)c1C)C2 ZINC001097692170 1105426345 /nfs/dbraw/zinc/42/63/45/1105426345.db2.gz UZVJSVRGUYEHQS-NXHRZFHOSA-N 0 3 315.461 3.289 20 30 DGEDHN C#CC1CC[NH+](Cc2cc(C)c(Br)cc2[O-])CC1 ZINC001250132721 1105450138 /nfs/dbraw/zinc/45/01/38/1105450138.db2.gz DRCNXVNLXNWCRJ-UHFFFAOYSA-N 0 3 308.219 3.308 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001097896590 1105459411 /nfs/dbraw/zinc/45/94/11/1105459411.db2.gz NEADWAVNBNPIHY-OIISXLGYSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001097977442 1105488863 /nfs/dbraw/zinc/48/88/63/1105488863.db2.gz STOYKMGWBASSTG-UPJWGTAASA-N 0 3 310.850 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1F)C2 ZINC001098060371 1105540642 /nfs/dbraw/zinc/54/06/42/1105540642.db2.gz JXYJUXDYGSHSAL-JFTQMJAMSA-N 0 3 316.420 3.227 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2ncc(C)s2)C1 ZINC001278586039 1105550386 /nfs/dbraw/zinc/55/03/86/1105550386.db2.gz PTFQMHLWTHYZTN-KBPBESRZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1C)C2 ZINC001098452735 1105575678 /nfs/dbraw/zinc/57/56/78/1105575678.db2.gz OKPQAYZANXAYMB-RWQQGDIJSA-N 0 3 312.457 3.396 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCC(C)(C)CC1)C2 ZINC001098525096 1105582578 /nfs/dbraw/zinc/58/25/78/1105582578.db2.gz CKDOAFHVDFDPMT-KURKYZTESA-N 0 3 316.489 3.338 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CCC)cc2)C1 ZINC001099002742 1105625194 /nfs/dbraw/zinc/62/51/94/1105625194.db2.gz MASWOMIEENTLQU-FPOVZHCZSA-N 0 3 324.468 3.247 20 30 DGEDHN C=CCN(C)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251091613 1105628633 /nfs/dbraw/zinc/62/86/33/1105628633.db2.gz SQQAHNXSYJDWGH-CQSZACIVSA-N 0 3 310.397 3.179 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001099023765 1105631545 /nfs/dbraw/zinc/63/15/45/1105631545.db2.gz SBYMMHQOUICDJE-IAGOWNOFSA-N 0 3 317.477 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001099077452 1105639569 /nfs/dbraw/zinc/63/95/69/1105639569.db2.gz SIRFGBULPBNLMJ-ALKREAHSSA-N 0 3 316.445 3.157 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001099094320 1105641274 /nfs/dbraw/zinc/64/12/74/1105641274.db2.gz ZRVBKVUNVQJPAM-INIZCTEOSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(=C)C ZINC001099097896 1105642651 /nfs/dbraw/zinc/64/26/51/1105642651.db2.gz HCUJKCXPLAQDEL-KRWDZBQOSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001099106949 1105642679 /nfs/dbraw/zinc/64/26/79/1105642679.db2.gz TUIBAHDRIKSHMT-KBPBESRZSA-N 0 3 316.436 3.461 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)c(CC)o2)C1 ZINC001099115898 1105644248 /nfs/dbraw/zinc/64/42/48/1105644248.db2.gz CXKSRJWOWKDZKM-KXBFYZLASA-N 0 3 316.445 3.311 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001099126413 1105645979 /nfs/dbraw/zinc/64/59/79/1105645979.db2.gz PBQAKLWAGQXJMJ-LMNJBCLMSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001099145989 1105649946 /nfs/dbraw/zinc/64/99/46/1105649946.db2.gz VQIRYYOMOSUPFR-SJCJKPOMSA-N 0 3 322.811 3.249 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H]1CCC(C)(C)CN1CC=C ZINC001099170442 1105652695 /nfs/dbraw/zinc/65/26/95/1105652695.db2.gz HQJKWPHZXFKTQR-QGZVFWFLSA-N 0 3 304.478 3.363 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001099178464 1105653844 /nfs/dbraw/zinc/65/38/44/1105653844.db2.gz CKBYSWWNQOTTCM-QKLQHJQFSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099214963 1105658177 /nfs/dbraw/zinc/65/81/77/1105658177.db2.gz OTLBIZNIPVXOFW-APWZRJJASA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001099229422 1105659080 /nfs/dbraw/zinc/65/90/80/1105659080.db2.gz JRIRDRXTOWDTKU-GFCCVEGCSA-N 0 3 302.409 3.071 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1C(F)(F)F ZINC001099234195 1105660369 /nfs/dbraw/zinc/66/03/69/1105660369.db2.gz SUENWABNTPJPFS-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCC2CCCC2)C1 ZINC001278641724 1105728556 /nfs/dbraw/zinc/72/85/56/1105728556.db2.gz OXLWLVZIBJWDMH-LJQANCHMSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCC2CCCC2)C1 ZINC001278641723 1105728646 /nfs/dbraw/zinc/72/86/46/1105728646.db2.gz OXLWLVZIBJWDMH-IBGZPJMESA-N 0 3 304.478 3.198 20 30 DGEDHN C[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001491047459 1105740714 /nfs/dbraw/zinc/74/07/14/1105740714.db2.gz IXUBWLPGIPXXEP-OJAHFUOMSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCCCCCC[C@H](O)CN[C@@H]1Cc2ccccc2NC1=O ZINC001252137335 1105748872 /nfs/dbraw/zinc/74/88/72/1105748872.db2.gz XMFLVFCURYAAJU-FUHWJXTLSA-N 0 3 318.461 3.251 20 30 DGEDHN C=CCC[C@H](O)CN1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001252596688 1105800196 /nfs/dbraw/zinc/80/01/96/1105800196.db2.gz TUYVVOJJIKTHSX-HNNXBMFYSA-N 0 3 317.404 3.073 20 30 DGEDHN C=CCC[C@H](O)CN1CCSC[C@@H]1c1cccc(OC)c1 ZINC001252604409 1105801535 /nfs/dbraw/zinc/80/15/35/1105801535.db2.gz RXWCXYDOOJGVNC-DOTOQJQBSA-N 0 3 307.459 3.112 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001252618073 1105805444 /nfs/dbraw/zinc/80/54/44/1105805444.db2.gz OTHSJNWJESXFFH-KBXCAEBGSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001491412371 1105822801 /nfs/dbraw/zinc/82/28/01/1105822801.db2.gz 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CC#CCN(CCCNC(=O)C1CCC(C2CC2)CC1)C1CC1 ZINC001316926231 1106772859 /nfs/dbraw/zinc/77/28/59/1106772859.db2.gz GFBNJNNKJOKTNB-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(C)c(OC)c1 ZINC001320032457 1106799838 /nfs/dbraw/zinc/79/98/38/1106799838.db2.gz GADMJQVXKCGXNR-UHFFFAOYSA-N 0 3 318.461 3.106 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001316945944 1106802386 /nfs/dbraw/zinc/80/23/86/1106802386.db2.gz VBKLMPKOPSRQNE-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001320033511 1106802209 /nfs/dbraw/zinc/80/22/09/1106802209.db2.gz NCLBRCIKVPIASI-UHFFFAOYSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001316949969 1106817222 /nfs/dbraw/zinc/81/72/22/1106817222.db2.gz DYFWUMHUEXOPLJ-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC)c(OCCC)c2)C1 ZINC001320087643 1106858217 /nfs/dbraw/zinc/85/82/17/1106858217.db2.gz YFEPNMQGCGCCBN-INIZCTEOSA-N 0 3 305.418 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ZINC001317264482 1107185732 /nfs/dbraw/zinc/18/57/32/1107185732.db2.gz IPUSMOLHZBKOOG-SJCJKPOMSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC001320967699 1107205689 /nfs/dbraw/zinc/20/56/89/1107205689.db2.gz NZFQSQRODITQTI-MOPGFXCFSA-N 0 3 317.429 3.021 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001317283462 1107207843 /nfs/dbraw/zinc/20/78/43/1107207843.db2.gz WWGTTXKVVLLPAR-UKRRQHHQSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2c(C)cccc2Cl)C1 ZINC001317298279 1107217751 /nfs/dbraw/zinc/21/77/51/1107217751.db2.gz IDWOEOIBOOFMHT-AWEZNQCLSA-N 0 3 306.837 3.305 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001317384519 1107294824 /nfs/dbraw/zinc/29/48/24/1107294824.db2.gz XJIYHCXINIBRKN-XCJXAGMVSA-N 0 3 310.441 3.036 20 30 DGEDHN C=CCC1(C(=O)NC/C=C\CNCc2cccc(C#N)c2)CCC1 ZINC001321234203 1107296949 /nfs/dbraw/zinc/29/69/49/1107296949.db2.gz VRJQZPJSLPJXDL-ARJAWSKDSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1coc(C(F)F)c1 ZINC001317404052 1107323031 /nfs/dbraw/zinc/32/30/31/1107323031.db2.gz KNWGBDZELSDPLI-VIFPVBQESA-N 0 3 306.740 3.068 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CC(F)(F)F ZINC001317417681 1107340618 /nfs/dbraw/zinc/34/06/18/1107340618.db2.gz BIJDCGYVEMJFDH-LLVKDONJSA-N 0 3 312.763 3.052 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001317417361 1107342237 /nfs/dbraw/zinc/34/22/37/1107342237.db2.gz KLJXLGGKUFICPQ-NSHDSACASA-N 0 3 323.799 3.158 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1cccc(Cl)c1 ZINC001317484289 1107440893 /nfs/dbraw/zinc/44/08/93/1107440893.db2.gz KBGAKEPQEVBXBG-UHFFFAOYSA-N 0 3 308.853 3.490 20 30 DGEDHN CN(C)c1ccccc1CNN=Cc1ccc(N2CCCC2)cc1 ZINC001321859602 1107450975 /nfs/dbraw/zinc/45/09/75/1107450975.db2.gz BEIZMTKZRUXQPI-UHFFFAOYSA-N 0 3 322.456 3.477 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1F ZINC001321955954 1107471622 /nfs/dbraw/zinc/47/16/22/1107471622.db2.gz KGTGEHWPLFATRA-LSDHHAIUSA-N 0 3 304.409 3.175 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001317515417 1107478256 /nfs/dbraw/zinc/47/82/56/1107478256.db2.gz IOPQWCIQZPXAAM-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001317545003 1107511737 /nfs/dbraw/zinc/51/17/37/1107511737.db2.gz BOQXJKXSYKSPCB-GOSISDBHSA-N 0 3 314.473 3.025 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c(C)cc(C)cc1C)C1CC1 ZINC001317559834 1107541743 /nfs/dbraw/zinc/54/17/43/1107541743.db2.gz LXHWSBWVWHLBNC-UHFFFAOYSA-N 0 3 300.446 3.382 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)Cc1ccc(C)cc1)C1CC1 ZINC001317561403 1107544240 /nfs/dbraw/zinc/54/42/40/1107544240.db2.gz KVOPEDZIVRVQKI-QGZVFWFLSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C1(c2cccc(C)c2)CCC1 ZINC001322218043 1107574297 /nfs/dbraw/zinc/57/42/97/1107574297.db2.gz JRCGNLXWYRGTQR-INIZCTEOSA-N 0 3 300.446 3.039 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(CC)cc1 ZINC001322222524 1107577577 /nfs/dbraw/zinc/57/75/77/1107577577.db2.gz GKUYHDVCGUCDHC-KRWDZBQOSA-N 0 3 314.473 3.379 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001317651055 1107580483 /nfs/dbraw/zinc/58/04/83/1107580483.db2.gz QBNUYAZNWAQZAA-SFHVURJKSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(C)CC[N@@H+](CCCNC(=O)c1ccccc1[O-])C(C)C ZINC001317677202 1107595561 /nfs/dbraw/zinc/59/55/61/1107595561.db2.gz VCLOLXOODOLMRP-UHFFFAOYSA-N 0 3 304.434 3.189 20 30 DGEDHN C=C(C)CC[N@H+](CCCNC(=O)c1ccccc1[O-])C(C)C ZINC001317677202 1107595573 /nfs/dbraw/zinc/59/55/73/1107595573.db2.gz VCLOLXOODOLMRP-UHFFFAOYSA-N 0 3 304.434 3.189 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ncccc1C)c1ccccc1 ZINC001317714288 1107617010 /nfs/dbraw/zinc/61/70/10/1107617010.db2.gz DKHKQMUDEXEGKB-QGZVFWFLSA-N 0 3 309.413 3.027 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001317984994 1107784312 /nfs/dbraw/zinc/78/43/12/1107784312.db2.gz LIMYWRIZAJIFFA-ROUUACIJSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001317987280 1107784443 /nfs/dbraw/zinc/78/44/43/1107784443.db2.gz FRYVZMCAYOMYJO-HOTGVXAUSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001317992078 1107786227 /nfs/dbraw/zinc/78/62/27/1107786227.db2.gz SIDMECRKTYSVGB-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/CCC ZINC001318192718 1107890285 /nfs/dbraw/zinc/89/02/85/1107890285.db2.gz HCCCSDHYYOYWNR-AZGCOUAMSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)oc(C)c1C ZINC001318205134 1107894565 /nfs/dbraw/zinc/89/45/65/1107894565.db2.gz CBUMLYQHPINVNF-ZLIFDBKOSA-N 0 3 316.445 3.458 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ncccc21 ZINC001318208791 1107896791 /nfs/dbraw/zinc/89/67/91/1107896791.db2.gz APVIZKLYTMUBRK-HOTGVXAUSA-N 0 3 321.424 3.100 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)cc1 ZINC001318209096 1107899617 /nfs/dbraw/zinc/89/96/17/1107899617.db2.gz GTRMMNDJLDTLKL-OALUTQOASA-N 0 3 324.468 3.393 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(F)cc1C ZINC001318209198 1107899973 /nfs/dbraw/zinc/89/99/73/1107899973.db2.gz JLVSPYZDMTZAKC-IRXDYDNUSA-N 0 3 316.420 3.307 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001323274212 1107912142 /nfs/dbraw/zinc/91/21/42/1107912142.db2.gz WZLRTUUQURBRFG-IUODEOHRSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001323333999 1107939548 /nfs/dbraw/zinc/93/95/48/1107939548.db2.gz GUVNHEDVSSKXGF-GJZGRUSLSA-N 0 3 304.434 3.391 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001323338119 1107943966 /nfs/dbraw/zinc/94/39/66/1107943966.db2.gz YPVUAIUSIJWCAP-MRXNPFEDSA-N 0 3 317.477 3.278 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001323340660 1107944856 /nfs/dbraw/zinc/94/48/56/1107944856.db2.gz PZJULHDLHWUDHQ-AZRLCKCBSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001318337946 1107948278 /nfs/dbraw/zinc/94/82/78/1107948278.db2.gz KHKJBSCBDCWWHJ-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001318349603 1107952062 /nfs/dbraw/zinc/95/20/62/1107952062.db2.gz PWBBSMGNOFZAMA-SJLPKXTDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC001263117244 1107952076 /nfs/dbraw/zinc/95/20/76/1107952076.db2.gz WCQZSPMAZIYXCB-CQSZACIVSA-N 0 3 312.417 3.073 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC001318347015 1107953329 /nfs/dbraw/zinc/95/33/29/1107953329.db2.gz NUKUILTYWKNTDZ-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001318376748 1107968823 /nfs/dbraw/zinc/96/88/23/1107968823.db2.gz RABHORMCKSUJAF-ZIAGYGMSSA-N 0 3 321.490 3.425 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@H](CC)c2ccc(F)cc2)CC1 ZINC001323434741 1107972378 /nfs/dbraw/zinc/97/23/78/1107972378.db2.gz DEMQPUIZHMJMGO-QGZVFWFLSA-N 0 3 316.420 3.319 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001263277336 1107994303 /nfs/dbraw/zinc/99/43/03/1107994303.db2.gz DZFMWTUWBNQQHE-LSDHHAIUSA-N 0 3 321.852 3.391 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001318437614 1108005392 /nfs/dbraw/zinc/00/53/92/1108005392.db2.gz RJBUMQCSKVBVIX-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001263332366 1108020073 /nfs/dbraw/zinc/02/00/73/1108020073.db2.gz NEWSJYURWZJCNN-ZDUSSCGKSA-N 0 3 321.302 3.248 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1Cc1ccco1 ZINC001263380643 1108031035 /nfs/dbraw/zinc/03/10/35/1108031035.db2.gz WGKFDMCUGHCKBE-MRXNPFEDSA-N 0 3 320.352 3.026 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001318474217 1108035869 /nfs/dbraw/zinc/03/58/69/1108035869.db2.gz SVHPWLFSNKHMCN-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cccc(F)c2F)C1 ZINC001318482860 1108042641 /nfs/dbraw/zinc/04/26/41/1108042641.db2.gz MZJCGZNQHCXRKW-HNNXBMFYSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)CCC1 ZINC001323789475 1108083211 /nfs/dbraw/zinc/08/32/11/1108083211.db2.gz UUFGLIGMHYMEBN-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2scnc2C)CCC1 ZINC001318570773 1108102929 /nfs/dbraw/zinc/10/29/29/1108102929.db2.gz RCPRHHFDQMAZOZ-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2cc(F)cc(F)c2)C1 ZINC001318571141 1108104179 /nfs/dbraw/zinc/10/41/79/1108104179.db2.gz VNPNEKVPLXGUGN-MRXNPFEDSA-N 0 3 322.399 3.306 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001263616059 1108110618 /nfs/dbraw/zinc/11/06/18/1108110618.db2.gz MVLLYDQBKDCCNQ-XJKSGUPXSA-N 0 3 313.376 3.487 20 30 DGEDHN C/C=C(/C)C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001318622655 1108128221 /nfs/dbraw/zinc/12/82/21/1108128221.db2.gz AEYHNTXLWOJWRY-YPEHOIGNSA-N 0 3 310.441 3.023 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001318678949 1108150375 /nfs/dbraw/zinc/15/03/75/1108150375.db2.gz ZYJIBZBGNDSBNH-VYBYYTRPSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)c1ccc(C)o1)C1CC1 ZINC001318715889 1108165627 /nfs/dbraw/zinc/16/56/27/1108165627.db2.gz AAGTYOXJJMRWPW-GUYCJALGSA-N 0 3 324.852 3.319 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001318836277 1108212813 /nfs/dbraw/zinc/21/28/13/1108212813.db2.gz KLRTWLHELFLIHS-CABCVRRESA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001263814803 1108221075 /nfs/dbraw/zinc/22/10/75/1108221075.db2.gz LWKYUPSKBGKJKQ-INIZCTEOSA-N 0 3 319.449 3.184 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC001324341888 1108257388 /nfs/dbraw/zinc/25/73/88/1108257388.db2.gz DFPLEUPRFRTXMX-QGZVFWFLSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001263860372 1108265771 /nfs/dbraw/zinc/26/57/71/1108265771.db2.gz TVMNFKPJHHWHPG-JOCQHMNTSA-N 0 3 324.877 3.189 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1 ZINC001319005800 1108273630 /nfs/dbraw/zinc/27/36/30/1108273630.db2.gz GQWCJKZZPBUEAO-UHFFFAOYSA-N 0 3 320.436 3.463 20 30 DGEDHN O=C(CC1CC1)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001324452865 1108294060 /nfs/dbraw/zinc/29/40/60/1108294060.db2.gz XZCSDHXWYVXLJP-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(C)=C(C)C ZINC001264029591 1108342747 /nfs/dbraw/zinc/34/27/47/1108342747.db2.gz GPJHNZICYXVHIY-NZSAHSFTSA-N 0 3 316.489 3.361 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001319238280 1108379330 /nfs/dbraw/zinc/37/93/30/1108379330.db2.gz SDHLTXRGTIIMFZ-ACJLOTCBSA-N 0 3 324.415 3.409 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)[C@@H](C)CC)CCCC1 ZINC001319379243 1108438634 /nfs/dbraw/zinc/43/86/34/1108438634.db2.gz OBWYACSXEPVVJP-GXTWGEPZSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001324655470 1108405329 /nfs/dbraw/zinc/40/53/29/1108405329.db2.gz DYGFEJZKIDBTOC-APWZRJJASA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2cc(Cl)cs2)C1 ZINC001324657747 1108406789 /nfs/dbraw/zinc/40/67/89/1108406789.db2.gz RRNBYZBDIHJWOV-OAHLLOKOSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCOCC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001319431981 1108463698 /nfs/dbraw/zinc/46/36/98/1108463698.db2.gz YLODVJPFFGFDAD-KGLIPLIRSA-N 0 3 324.852 3.040 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@@H]1CC=CCC1 ZINC001319509144 1108497774 /nfs/dbraw/zinc/49/77/74/1108497774.db2.gz DXUIIAVFQDOYOS-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@H]1CC=CCC1 ZINC001319509146 1108497847 /nfs/dbraw/zinc/49/78/47/1108497847.db2.gz DXUIIAVFQDOYOS-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001319538062 1108514280 /nfs/dbraw/zinc/51/42/80/1108514280.db2.gz NPBWJBUEWUJJGA-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001264416174 1108518637 /nfs/dbraw/zinc/51/86/37/1108518637.db2.gz PZXCFXFXYJSBRY-MQMHXKEQSA-N 0 3 324.827 3.430 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001324971460 1108541989 /nfs/dbraw/zinc/54/19/89/1108541989.db2.gz IKVQMGVDCNEDFC-APWZRJJASA-N 0 3 316.445 3.015 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001264463449 1108544102 /nfs/dbraw/zinc/54/41/02/1108544102.db2.gz SVAUXRLACGWPKV-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2c(F)cccc2F)[C@@H](C)C1 ZINC001319673683 1108588359 /nfs/dbraw/zinc/58/83/59/1108588359.db2.gz LGKBWXIWTUDXQN-SUMWQHHRSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2c(F)cccc2F)[C@@H](C)C1 ZINC001319673682 1108588516 /nfs/dbraw/zinc/58/85/16/1108588516.db2.gz LGKBWXIWTUDXQN-GUYCJALGSA-N 0 3 322.399 3.258 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001264698559 1108625872 /nfs/dbraw/zinc/62/58/72/1108625872.db2.gz JRRYGQOWSBGDSU-MJGOQNOKSA-N 0 3 312.457 3.186 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1CC ZINC001325367479 1108636858 /nfs/dbraw/zinc/63/68/58/1108636858.db2.gz VLMQBFYPDIRSKY-BHIYHBOVSA-N 0 3 312.457 3.065 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccccc1 ZINC001264745725 1108644874 /nfs/dbraw/zinc/64/48/74/1108644874.db2.gz RGQFCTPONDKKPQ-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ocnc2C)CC(C)(C)C1 ZINC001264750290 1108646961 /nfs/dbraw/zinc/64/69/61/1108646961.db2.gz WCWWBDXITVAOQZ-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001319838763 1108659074 /nfs/dbraw/zinc/65/90/74/1108659074.db2.gz TUAHGQIQSDEFSX-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN C[C@H](NCc1cccc(OCC#N)c1)c1ccc(C#N)c(F)c1 ZINC001319848902 1108662303 /nfs/dbraw/zinc/66/23/03/1108662303.db2.gz BGAINJHDKSAZDH-ZDUSSCGKSA-N 0 3 309.344 3.451 20 30 DGEDHN CC/C=C(/C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001319898770 1108686611 /nfs/dbraw/zinc/68/66/11/1108686611.db2.gz LDSIZBXPVMVCSM-DDYRAIOVSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](NCc2cncs2)C(C)C)CC1 ZINC001319942586 1108704221 /nfs/dbraw/zinc/70/42/21/1108704221.db2.gz DRJFOFXRRCTLPW-INIZCTEOSA-N 0 3 321.490 3.120 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](CC)CC1CCCCC1 ZINC001265043151 1108709972 /nfs/dbraw/zinc/70/99/72/1108709972.db2.gz CKQVAJYKIAJMNX-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1ccccc1F ZINC001265125998 1108741628 /nfs/dbraw/zinc/74/16/28/1108741628.db2.gz HNPIKSGWBHERMP-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCCCC1(C)C)C1CC1 ZINC001265184214 1108763572 /nfs/dbraw/zinc/76/35/72/1108763572.db2.gz USLVHSYQVSBJBD-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN Cc1cccc([C@H](C)N2CCC[C@@H](NC(=O)C#CC(C)C)C2)c1 ZINC001265213506 1108782427 /nfs/dbraw/zinc/78/24/27/1108782427.db2.gz SZXKHUWYKIARCN-PKOBYXMFSA-N 0 3 312.457 3.296 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001265222825 1108786414 /nfs/dbraw/zinc/78/64/14/1108786414.db2.gz LMKFSPMJWKOGCD-UKRRQHHQSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001265230919 1108792995 /nfs/dbraw/zinc/79/29/95/1108792995.db2.gz ODHGZGQVHJIXJG-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001265271027 1108797958 /nfs/dbraw/zinc/79/79/58/1108797958.db2.gz QGGZXYUGNJAUHW-ZDUSSCGKSA-N 0 3 310.825 3.484 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001265296876 1108810436 /nfs/dbraw/zinc/81/04/36/1108810436.db2.gz FYHPOUPVQQEMTF-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001265299799 1108812201 /nfs/dbraw/zinc/81/22/01/1108812201.db2.gz UNDAJZGCFREKGY-SFHVURJKSA-N 0 3 323.440 3.052 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001265298881 1108812261 /nfs/dbraw/zinc/81/22/61/1108812261.db2.gz DILJJAJBXGRVGI-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)CCC1 ZINC001265302238 1108813974 /nfs/dbraw/zinc/81/39/74/1108813974.db2.gz ZXDQGSHIOXYINR-SFHVURJKSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccns2)CC1 ZINC001265338544 1108833366 /nfs/dbraw/zinc/83/33/66/1108833366.db2.gz BJZUQBDLWXBUCQ-UHFFFAOYSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001265404838 1108864258 /nfs/dbraw/zinc/86/42/58/1108864258.db2.gz FYRIYDIXSIYCQQ-CALCHBBNSA-N 0 3 315.461 3.358 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(CC)(CC)CC)C1 ZINC001265707482 1108977398 /nfs/dbraw/zinc/97/73/98/1108977398.db2.gz BBULNOMZTUAZFS-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001265720687 1108981079 /nfs/dbraw/zinc/98/10/79/1108981079.db2.gz PVZDOVVESLVCRI-NVHSKGBESA-N 0 3 324.468 3.349 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001265808556 1109010258 /nfs/dbraw/zinc/01/02/58/1109010258.db2.gz GKTKINFXNUPAPT-VXGBXAGGSA-N 0 3 310.388 3.332 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001265808893 1109010413 /nfs/dbraw/zinc/01/04/13/1109010413.db2.gz MYBQDIWLOBJBST-AWEZNQCLSA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[C@@H](C)C#N ZINC001265815220 1109012587 /nfs/dbraw/zinc/01/25/87/1109012587.db2.gz SHASXIBNFZZACF-BLLLJJGKSA-N 0 3 323.387 3.014 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001265821627 1109016393 /nfs/dbraw/zinc/01/63/93/1109016393.db2.gz XCZUWDQDPMRPML-DNVCBOLYSA-N 0 3 318.461 3.200 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H]1CCCCN1C(=O)C1CCC1 ZINC001265987817 1109057037 /nfs/dbraw/zinc/05/70/37/1109057037.db2.gz GUAMSQOJQOWDJI-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001265988971 1109057542 /nfs/dbraw/zinc/05/75/42/1109057542.db2.gz WKZGZSDVRMFOKF-ZBFHGGJFSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2cncc(C)c2)C1 ZINC001266083373 1109084012 /nfs/dbraw/zinc/08/40/12/1109084012.db2.gz YYCUHCBWCBXHFG-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCCCC1(C)C ZINC001266191416 1109121314 /nfs/dbraw/zinc/12/13/14/1109121314.db2.gz BXARQQIDLYNDMK-KGLIPLIRSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCC1(C(=O)N(C)C2CCN(CCOC)CC2)CCCCC1 ZINC001266198114 1109124044 /nfs/dbraw/zinc/12/40/44/1109124044.db2.gz YTMRUUFYZVTMKD-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cccnc1C ZINC001266231447 1109133588 /nfs/dbraw/zinc/13/35/88/1109133588.db2.gz INDNOTLSHTUTKA-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001266236154 1109135151 /nfs/dbraw/zinc/13/51/51/1109135151.db2.gz DYFUJZQNPZXNNL-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C(C)=C2CCC2)c(F)c1 ZINC001279709949 1109160850 /nfs/dbraw/zinc/16/08/50/1109160850.db2.gz KRWCZJUJCOSYJQ-UHFFFAOYSA-N 0 3 302.393 3.218 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001280127005 1109175726 /nfs/dbraw/zinc/17/57/26/1109175726.db2.gz IDERYYCBELRMRO-LUKYLMHMSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001280296788 1109184345 /nfs/dbraw/zinc/18/43/45/1109184345.db2.gz QIZJOXRLFIMAIP-CQSZACIVSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(C)=C1CCC1 ZINC001280324207 1109185297 /nfs/dbraw/zinc/18/52/97/1109185297.db2.gz ANPPBLZMVXRUTH-UHFFFAOYSA-N 0 3 310.441 3.258 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCCC(C)C)cc1 ZINC001280353824 1109189357 /nfs/dbraw/zinc/18/93/57/1109189357.db2.gz BWLALCZZRAEWQM-INIZCTEOSA-N 0 3 300.446 3.413 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001280483015 1109210827 /nfs/dbraw/zinc/21/08/27/1109210827.db2.gz JEHKPXQVEJMQGN-UHFFFAOYSA-N 0 3 317.458 3.105 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC001280756991 1109248668 /nfs/dbraw/zinc/24/86/68/1109248668.db2.gz ROVYXYKFMQDBQS-YJBOKZPZSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc(Cl)ccc1Cl ZINC001280880016 1109266331 /nfs/dbraw/zinc/26/63/31/1109266331.db2.gz BYOWJMGNGYMQKY-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001316607996 1109285631 /nfs/dbraw/zinc/28/56/31/1109285631.db2.gz UWRPZBNKGFLXAW-CYBMUJFWSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001316611755 1109371993 /nfs/dbraw/zinc/37/19/93/1109371993.db2.gz XWQNAPJUDAZBGK-HIEASXQVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)Cc1ccccc1 ZINC001281758867 1109404988 /nfs/dbraw/zinc/40/49/88/1109404988.db2.gz NQSZJAOTABJYTE-HNNXBMFYSA-N 0 3 322.880 3.492 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001281824344 1109409199 /nfs/dbraw/zinc/40/91/99/1109409199.db2.gz CYSVFYYRDGJDBO-ZDUSSCGKSA-N 0 3 300.874 3.346 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(Cl)c1C ZINC001281940709 1109417925 /nfs/dbraw/zinc/41/79/25/1109417925.db2.gz VQSZQVAJXWRPDK-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC001281941691 1109418953 /nfs/dbraw/zinc/41/89/53/1109418953.db2.gz JLSLJKYEDZQULC-YXOSVLIBSA-N 0 3 316.489 3.168 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(-n2cccc2)c1 ZINC001281950272 1109419825 /nfs/dbraw/zinc/41/98/25/1109419825.db2.gz UFMVREUQAQSMEA-LJQANCHMSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001282096304 1109449429 /nfs/dbraw/zinc/44/94/29/1109449429.db2.gz KAUJUPQOCQOLEC-LSDHHAIUSA-N 0 3 318.848 3.141 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2cc(C)ns2)CC1 ZINC001282182073 1109464087 /nfs/dbraw/zinc/46/40/87/1109464087.db2.gz CQABLUDJESZOTH-KBPBESRZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2c(C)nsc2C)C1 ZINC001282186492 1109465330 /nfs/dbraw/zinc/46/53/30/1109465330.db2.gz VMMLKYNGKHJRAM-NWDGAFQWSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC001282444487 1109510990 /nfs/dbraw/zinc/51/09/90/1109510990.db2.gz RSWHDXYGNDYQJL-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2occc2C)CCCCC1 ZINC001282600265 1109535153 /nfs/dbraw/zinc/53/51/53/1109535153.db2.gz PFGGELBZTKDMJR-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccccc2)CCCCC1 ZINC001282599560 1109535196 /nfs/dbraw/zinc/53/51/96/1109535196.db2.gz GNRGEEXKTXUYMF-UHFFFAOYSA-N 0 3 306.837 3.461 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cncc(C)c2)CCCCC1 ZINC001282605811 1109536352 /nfs/dbraw/zinc/53/63/52/1109536352.db2.gz QIGQMLZKYLUQHO-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccccc2CC)C1 ZINC001282694397 1109553420 /nfs/dbraw/zinc/55/34/20/1109553420.db2.gz ZQDQVADVGZSIMS-OAHLLOKOSA-N 0 3 300.446 3.152 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001282733566 1109557603 /nfs/dbraw/zinc/55/76/03/1109557603.db2.gz FYEWXPHWCOMPMJ-CQSZACIVSA-N 0 3 320.502 3.329 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C=C(\C)CC)C[C@@H]2C1 ZINC001282945448 1109582740 /nfs/dbraw/zinc/58/27/40/1109582740.db2.gz DWPVIIDEYDFWOV-AYWZUSBXSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1c(C)nsc1C)C1CC1 ZINC001283491354 1109644391 /nfs/dbraw/zinc/64/43/91/1109644391.db2.gz AOCSIOOINSEWEP-INIZCTEOSA-N 0 3 321.490 3.053 20 30 DGEDHN Cc1ccccc1C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283567858 1109654214 /nfs/dbraw/zinc/65/42/14/1109654214.db2.gz YGVDAUPUXPBESZ-GOSISDBHSA-N 0 3 320.436 3.097 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001283845543 1109688785 /nfs/dbraw/zinc/68/87/85/1109688785.db2.gz IAWDJTCVVMASEB-CJNGLKHVSA-N 0 3 319.474 3.135 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC[C@H](C)CC)CCC[C@@H]12 ZINC001284058784 1109726134 /nfs/dbraw/zinc/72/61/34/1109726134.db2.gz RYLUELSLFKNBJU-ZHALLVOQSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCOc2ccccc2)[C@@H]1C ZINC001284150247 1109749395 /nfs/dbraw/zinc/74/93/95/1109749395.db2.gz AFJNRVZADCDXFA-FUHWJXTLSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H]1C ZINC001284156095 1109750894 /nfs/dbraw/zinc/75/08/94/1109750894.db2.gz WQQNQUMTEKSWFR-HIFRSBDPSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001316634927 1109857375 /nfs/dbraw/zinc/85/73/75/1109857375.db2.gz NZPYPBWRQUHZBZ-IHPCNDPISA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C#CC(C)(C)C ZINC001316683044 1111108584 /nfs/dbraw/zinc/10/85/84/1111108584.db2.gz ZVEKJMRYLFCFTN-GDBMZVCRSA-N 0 3 324.896 3.395 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)[C@H]1CC ZINC001316740878 1111231145 /nfs/dbraw/zinc/23/11/45/1111231145.db2.gz BZCRRRKHPWQHHF-YTQUADARSA-N 0 3 314.473 3.329 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001316856251 1111237747 /nfs/dbraw/zinc/23/77/47/1111237747.db2.gz DTNNSGVXSQUMGP-IAGOWNOFSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001307873158 1111348955 /nfs/dbraw/zinc/34/89/55/1111348955.db2.gz SNABTTNBJNBBGJ-WMLDXEAASA-N 0 3 316.832 3.181 20 30 DGEDHN CCOC(=O)[C@]1(F)CN(CC2CCC(C#N)CC2)CC12CCC2 ZINC001307925373 1111356842 /nfs/dbraw/zinc/35/68/42/1111356842.db2.gz QGCCRCWFDTVESH-JTTJXQCZSA-N 0 3 322.424 3.074 20 30 DGEDHN COc1ccc2c(c1)CCN(CCCOc1cccc(C#N)c1)C2 ZINC001307936404 1111358286 /nfs/dbraw/zinc/35/82/86/1111358286.db2.gz LLBIJUVTPLPZNH-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN C#CCN(Cc1cc2c(c(Br)c1)OCO2)C(C)(C)C ZINC001308088200 1111376490 /nfs/dbraw/zinc/37/64/90/1111376490.db2.gz MYYPKZMYZGTFSP-UHFFFAOYSA-N 0 3 324.218 3.412 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](OC)C1CCCCC1 ZINC001308478393 1111433303 /nfs/dbraw/zinc/43/33/03/1111433303.db2.gz XTGGWSQJFQEUNL-IBGZPJMESA-N 0 3 301.430 3.384 20 30 DGEDHN COc1cccc2c1CCC[C@@H](NCc1nc(C#N)cs1)C2 ZINC001308537118 1111439625 /nfs/dbraw/zinc/43/96/25/1111439625.db2.gz RNABXKLEDPGRCE-CYBMUJFWSA-N 0 3 313.426 3.061 20 30 DGEDHN CC[C@@H]1CCC[C@@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC001308793802 1111475544 /nfs/dbraw/zinc/47/55/44/1111475544.db2.gz ZRWMMGWKBYEIFD-IAGOWNOFSA-N 0 3 312.461 3.292 20 30 DGEDHN CSc1ccccc1C[C@@H](C)NCC1(C#N)CCOCC1 ZINC001308976323 1111503274 /nfs/dbraw/zinc/50/32/74/1111503274.db2.gz DELABIZDGRQDKS-CQSZACIVSA-N 0 3 304.459 3.249 20 30 DGEDHN C#CCCOC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001309556362 1111530272 /nfs/dbraw/zinc/53/02/72/1111530272.db2.gz ASXYXOGLQYRFBE-GOSISDBHSA-N 0 3 316.445 3.237 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCCN2CC(=C)C)CCCCC1 ZINC001317513239 1111619155 /nfs/dbraw/zinc/61/91/55/1111619155.db2.gz IWJBQAGHCLGUPX-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001317541098 1111698831 /nfs/dbraw/zinc/69/88/31/1111698831.db2.gz SCDCXFXDPSTWAS-UHFFFAOYSA-N 0 3 320.864 3.042 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1 ZINC001317085682 1111748236 /nfs/dbraw/zinc/74/82/36/1111748236.db2.gz BXTXVVKBUZEEFT-XJFOESAGSA-N 0 3 300.874 3.294 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCCCC(F)(F)F)[C@@H]1C ZINC001316777876 1111763640 /nfs/dbraw/zinc/76/36/40/1111763640.db2.gz YDAJTHYXZHBAFN-OLZOCXBDSA-N 0 3 306.372 3.264 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)[C@@H]1C ZINC001316788711 1111767488 /nfs/dbraw/zinc/76/74/88/1111767488.db2.gz UYODCKLRCMWRJY-WBVHZDCISA-N 0 3 300.446 3.286 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H]1CCCC1(F)F ZINC001316804501 1111773171 /nfs/dbraw/zinc/77/31/71/1111773171.db2.gz OEQDTHBKSIVMNN-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC2CCC1CC2 ZINC001316806205 1111773362 /nfs/dbraw/zinc/77/33/62/1111773362.db2.gz LXJOYWHAIFXMEU-FOIPXRHGSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cc(C)ns1 ZINC001316872348 1111786402 /nfs/dbraw/zinc/78/64/02/1111786402.db2.gz JXRJNZUXOJQLOF-HOCLYGCPSA-N 0 3 321.490 3.277 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H]1OCCc2sccc21 ZINC000291713742 222579312 /nfs/dbraw/zinc/57/93/12/222579312.db2.gz LPRAQBRCKPQMFM-BONVTDFDSA-N 0 3 304.440 3.473 20 30 DGEDHN CN(C)CCOc1cccc(NC(=O)C2(C#N)CCCCC2)c1 ZINC000341920718 282110136 /nfs/dbraw/zinc/11/01/36/282110136.db2.gz XZAPZCPBCFLKCI-UHFFFAOYSA-N 0 3 315.417 3.040 20 30 DGEDHN CC[C@@H]1CN(CCCSCC#N)CCN1Cc1ccccc1 ZINC000183752216 529391228 /nfs/dbraw/zinc/39/12/28/529391228.db2.gz SCRFQKKYJHIQIG-GOSISDBHSA-N 0 3 317.502 3.230 20 30 DGEDHN CC[C@@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000183752019 529395285 /nfs/dbraw/zinc/39/52/85/529395285.db2.gz XNZZKNZXHSAGQY-RBUKOAKNSA-N 0 3 310.445 3.026 20 30 DGEDHN Cc1cc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc(C#N)n1 ZINC000308277185 231096226 /nfs/dbraw/zinc/09/62/26/231096226.db2.gz HQPCHPANBVAYKE-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCCN(Cc2ccccc2)CC1 ZINC000103139476 432004028 /nfs/dbraw/zinc/00/40/28/432004028.db2.gz OISPVFUKWUROFE-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN CCc1ccccc1CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428805298 529576541 /nfs/dbraw/zinc/57/65/41/529576541.db2.gz MTRAJFZYIAESIK-IBGZPJMESA-N 0 3 321.424 3.211 20 30 DGEDHN CN1CCC(Oc2ccc(CNc3cc(C#N)ccn3)cc2)CC1 ZINC000286595155 219072226 /nfs/dbraw/zinc/07/22/26/219072226.db2.gz XGBPTCHZACFZFE-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN Cc1ccc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)o1 ZINC000092854008 185346577 /nfs/dbraw/zinc/34/65/77/185346577.db2.gz ANMBQGKZYNWYRM-UHFFFAOYSA-N 0 3 311.385 3.335 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000345744083 529718268 /nfs/dbraw/zinc/71/82/68/529718268.db2.gz CIMFRTWRLNQMCO-QAPCUYQASA-N 0 3 313.445 3.194 20 30 DGEDHN CCNC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000181506390 199307870 /nfs/dbraw/zinc/30/78/70/199307870.db2.gz WKIYZODXBQVGDF-CQSZACIVSA-N 0 3 307.397 3.159 20 30 DGEDHN CN(CC(C)(C)C#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000353167484 529843100 /nfs/dbraw/zinc/84/31/00/529843100.db2.gz YMCFXFWSTWEHMD-UHFFFAOYSA-N 0 3 313.445 3.294 20 30 DGEDHN C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181659808 199333709 /nfs/dbraw/zinc/33/37/09/199333709.db2.gz QXWBNADEHSKRSQ-CYBMUJFWSA-N 0 3 303.406 3.076 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309928154 529983696 /nfs/dbraw/zinc/98/36/96/529983696.db2.gz UUFZFEPKYSXVSF-HXUWFJFHSA-N 0 3 305.425 3.265 20 30 DGEDHN CN(Cc1cccc(F)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000347982187 529994841 /nfs/dbraw/zinc/99/48/41/529994841.db2.gz DDFSNMICSITOFV-KRWDZBQOSA-N 0 3 321.355 3.038 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000129941296 432011278 /nfs/dbraw/zinc/01/12/78/432011278.db2.gz YEMSTVJYEAXSFM-WBVHZDCISA-N 0 3 305.466 3.086 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](COC)OC)cc1 ZINC000272707057 210110922 /nfs/dbraw/zinc/11/09/22/210110922.db2.gz UNWPEXSISRZVKZ-CJNGLKHVSA-N 0 3 313.825 3.130 20 30 DGEDHN Cc1ncc(CNCc2ccc(N(C)CCC#N)cc2)s1 ZINC000105448864 432018916 /nfs/dbraw/zinc/01/89/16/432018916.db2.gz FNDYKTGCCYBBBO-UHFFFAOYSA-N 0 3 300.431 3.091 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CC)CC1 ZINC000106264900 432020120 /nfs/dbraw/zinc/02/01/20/432020120.db2.gz IFEIHHVTUXTXKV-WBVHZDCISA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CC(C)C)CC1 ZINC000106275475 432020851 /nfs/dbraw/zinc/02/08/51/432020851.db2.gz GFCRZQCOEPXITC-QGZVFWFLSA-N 0 3 307.482 3.247 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000066972034 432024522 /nfs/dbraw/zinc/02/45/22/432024522.db2.gz MUNGFJISIBEWFU-UHFFFAOYSA-N 0 3 304.397 3.198 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(F)c(COC)c2)cc1 ZINC000172120273 198042088 /nfs/dbraw/zinc/04/20/88/198042088.db2.gz XZYONCWUNHXNIV-UHFFFAOYSA-N 0 3 313.372 3.274 20 30 DGEDHN N#Cc1cccc(NC2CCN(CCc3ccccc3)CC2)n1 ZINC000172408583 198093147 /nfs/dbraw/zinc/09/31/47/198093147.db2.gz QLUDRCDLAVIPHO-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C1CC1)C1CC1 ZINC000173589861 198230743 /nfs/dbraw/zinc/23/07/43/198230743.db2.gz JEGCLLBHVDGTFI-UHFFFAOYSA-N 0 3 308.385 3.229 20 30 DGEDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000174009123 198280572 /nfs/dbraw/zinc/28/05/72/198280572.db2.gz RCQGYJQTBYTYKN-WMLDXEAASA-N 0 3 305.381 3.014 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000174445254 198335510 /nfs/dbraw/zinc/33/55/10/198335510.db2.gz JUQXSFYDARGRRW-UHFFFAOYSA-N 0 3 324.346 3.075 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000067704339 432035454 /nfs/dbraw/zinc/03/54/54/432035454.db2.gz VOVMPZVRLYZLOA-QGZVFWFLSA-N 0 3 316.420 3.238 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C1 ZINC000328766130 283058632 /nfs/dbraw/zinc/05/86/32/283058632.db2.gz PJQKCAOUKLDCTL-UTUOFQBUSA-N 0 3 312.339 3.300 20 30 DGEDHN CCCN(C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000069091108 283076380 /nfs/dbraw/zinc/07/63/80/283076380.db2.gz IAHKPJHFLBEWRL-MRXNPFEDSA-N 0 3 301.434 3.280 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)cc1C(F)(F)F ZINC000266207978 283164816 /nfs/dbraw/zinc/16/48/16/283164816.db2.gz FMXJIJPAICFDQX-CQSZACIVSA-N 0 3 307.319 3.028 20 30 DGEDHN C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)N(C)Cc1ccccc1 ZINC000166533154 432062104 /nfs/dbraw/zinc/06/21/04/432062104.db2.gz NKEBNLNNHPQLBS-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN C[C@]1(O)CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000180195907 199129602 /nfs/dbraw/zinc/12/96/02/199129602.db2.gz ONXFEEYJCCEDJQ-FQEVSTJZSA-N 0 3 322.408 3.094 20 30 DGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000122276364 299274809 /nfs/dbraw/zinc/27/48/09/299274809.db2.gz BHSHEULIQWEURK-INIZCTEOSA-N 0 3 307.397 3.284 20 30 DGEDHN C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000181072895 199248391 /nfs/dbraw/zinc/24/83/91/199248391.db2.gz YLFPECJFUQQKOM-AWEZNQCLSA-N 0 3 321.380 3.366 20 30 DGEDHN CC1CCC2(CC1)OC[C@H](CNCc1ccc(C#N)s1)O2 ZINC000181085576 199250787 /nfs/dbraw/zinc/25/07/87/199250787.db2.gz ODVZWXLJAWPMPG-UYJPIKCFSA-N 0 3 306.431 3.031 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000424075250 237879330 /nfs/dbraw/zinc/87/93/30/237879330.db2.gz IZKDOKGVGMXMGB-GOSISDBHSA-N 0 3 307.397 3.241 20 30 DGEDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](N)CCCC#N ZINC000424147961 237882690 /nfs/dbraw/zinc/88/26/90/237882690.db2.gz ZEQRDOBBQYHJMI-SJORKVTESA-N 0 3 301.434 3.220 20 30 DGEDHN N#CCC1(CNCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000430019256 238064653 /nfs/dbraw/zinc/06/46/53/238064653.db2.gz HHDNNRANYKLXKJ-UHFFFAOYSA-N 0 3 300.793 3.309 20 30 DGEDHN Cn1cc(CNCCOc2cccc(C(F)(F)F)c2)cc1C#N ZINC000190835384 200592275 /nfs/dbraw/zinc/59/22/75/200592275.db2.gz GROHRSGQXJUBQM-UHFFFAOYSA-N 0 3 323.318 3.084 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C12CCCC2 ZINC000433303120 238154409 /nfs/dbraw/zinc/15/44/09/238154409.db2.gz KMKZHGILSKCOLF-MRXNPFEDSA-N 0 3 323.358 3.436 20 30 DGEDHN N#Cc1cc2c(nc1NC[C@@H]1CCCCN1C1CC1)CCCC2 ZINC000433808557 238168853 /nfs/dbraw/zinc/16/88/53/238168853.db2.gz DIPCXHOMDHSNRY-KRWDZBQOSA-N 0 3 310.445 3.261 20 30 DGEDHN C[C@H]1OCC[C@]1(C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000494222414 291237514 /nfs/dbraw/zinc/23/75/14/291237514.db2.gz FWTOIOFZILGHAC-DOMZBBRYSA-N 0 3 313.319 3.094 20 30 DGEDHN C=CCC[C@@H](NC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000271872656 209285078 /nfs/dbraw/zinc/28/50/78/209285078.db2.gz KCVGCFZTAUCAJP-GOSISDBHSA-N 0 3 313.445 3.255 20 30 DGEDHN CCO[C@@H](CNCc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000194461112 201232033 /nfs/dbraw/zinc/23/20/33/201232033.db2.gz ORCHUNZMJHEAQW-IBGZPJMESA-N 0 3 310.397 3.434 20 30 DGEDHN CCOC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135095033 432098709 /nfs/dbraw/zinc/09/87/09/432098709.db2.gz GTTCXBDSCYKDPO-UHFFFAOYSA-N 0 3 314.429 3.263 20 30 DGEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC[C@H]2CCCO2)c1 ZINC000442791293 239125018 /nfs/dbraw/zinc/12/50/18/239125018.db2.gz IWZNIFIEVQNYBZ-KBAYOESNSA-N 0 3 314.429 3.335 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000443059488 239167278 /nfs/dbraw/zinc/16/72/78/239167278.db2.gz CGUADGKBQVGGCM-LJQANCHMSA-N 0 3 324.424 3.256 20 30 DGEDHN N#C[C@H]1CC[C@@H](Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000442852696 239137071 /nfs/dbraw/zinc/13/70/71/239137071.db2.gz HTVGAJHGDFZDIV-FUHWJXTLSA-N 0 3 315.486 3.382 20 30 DGEDHN Cc1cc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC000443998644 239248343 /nfs/dbraw/zinc/24/83/43/239248343.db2.gz WCYADOHENLDOJL-UXHICEINSA-N 0 3 324.399 3.262 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(C#N)cs2)C1 ZINC000195195789 201356478 /nfs/dbraw/zinc/35/64/78/201356478.db2.gz XKGSPGAXGXMYMK-MRXNPFEDSA-N 0 3 306.431 3.031 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c(C#N)c1C ZINC000248558910 202744459 /nfs/dbraw/zinc/74/44/59/202744459.db2.gz LZFMHLFEYUVJIY-UEKVPHQBSA-N 0 3 303.406 3.121 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1cc(Br)cs1 ZINC000268547818 432103847 /nfs/dbraw/zinc/10/38/47/432103847.db2.gz MKLYNLFNUXJEKE-NSHDSACASA-N 0 3 304.253 3.270 20 30 DGEDHN CC1(F)CC(NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000449370286 240161940 /nfs/dbraw/zinc/16/19/40/240161940.db2.gz JDFAMEGMWAVZFA-UHFFFAOYSA-N 0 3 312.392 3.444 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000449435971 240204960 /nfs/dbraw/zinc/20/49/60/240204960.db2.gz GKVKNXWPGGCKOX-KCPJHIHWSA-N 0 3 312.335 3.411 20 30 DGEDHN CO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000449505142 240253561 /nfs/dbraw/zinc/25/35/61/240253561.db2.gz QXZAFISFXLHQQM-YJBOKZPZSA-N 0 3 302.418 3.226 20 30 DGEDHN CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268570629 432106065 /nfs/dbraw/zinc/10/60/65/432106065.db2.gz ANBASMANVZTIMZ-IBGZPJMESA-N 0 3 310.397 3.122 20 30 DGEDHN CCc1cc(N2CCCN(c3ccccc3C#N)CC2)ccn1 ZINC000450255836 240623623 /nfs/dbraw/zinc/62/36/23/240623623.db2.gz DDVBNUNWOOVENL-UHFFFAOYSA-N 0 3 306.413 3.232 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300526 241074403 /nfs/dbraw/zinc/07/44/03/241074403.db2.gz AQVZCAZIUMSBLC-CABCVRRESA-N 0 3 317.351 3.046 20 30 DGEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC000451502754 241148855 /nfs/dbraw/zinc/14/88/55/241148855.db2.gz POBZNSXEYXJPAW-UONOGXRCSA-N 0 3 310.344 3.063 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000451599039 241185031 /nfs/dbraw/zinc/18/50/31/241185031.db2.gz MUJFKZRZWWUERG-NONVJHHQSA-N 0 3 316.445 3.460 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000451608435 241188098 /nfs/dbraw/zinc/18/80/98/241188098.db2.gz SEODFDJIZKLHQS-CFVMTHIKSA-N 0 3 322.836 3.217 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cncc(OCc2ccccc2)c1 ZINC000451615753 241190164 /nfs/dbraw/zinc/19/01/64/241190164.db2.gz WSILODBQDLSPAO-MOPGFXCFSA-N 0 3 310.397 3.094 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(Cl)c1 ZINC000451697516 241211014 /nfs/dbraw/zinc/21/10/14/241211014.db2.gz IGNVEYQYLWBLPM-IJEWVQPXSA-N 0 3 304.821 3.195 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(OCC#N)cc2)C12CCC2 ZINC000268616052 432111337 /nfs/dbraw/zinc/11/13/37/432111337.db2.gz ACIJFXBBNPJYDB-ROUUACIJSA-N 0 3 314.429 3.368 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCC1(F)F ZINC000456136365 242357759 /nfs/dbraw/zinc/35/77/59/242357759.db2.gz IHQDVOPXDHSNTN-GJZGRUSLSA-N 0 3 306.356 3.311 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCC1(F)F ZINC000456136371 242358153 /nfs/dbraw/zinc/35/81/53/242358153.db2.gz IHQDVOPXDHSNTN-LSDHHAIUSA-N 0 3 306.356 3.311 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCSC[C@@H]1C1CC1 ZINC000456163963 242365636 /nfs/dbraw/zinc/36/56/36/242365636.db2.gz BZLOOZMDJAMBEC-DLBZAZTESA-N 0 3 314.454 3.113 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2scnc2C(C)C)CC1 ZINC000455854341 242297891 /nfs/dbraw/zinc/29/78/91/242297891.db2.gz YBGSWMNRNOTZCF-UHFFFAOYSA-N 0 3 322.478 3.429 20 30 DGEDHN C=CCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455945358 242315440 /nfs/dbraw/zinc/31/54/40/242315440.db2.gz NXUPBSCUFSGSOD-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN Cc1nc(C[C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000246279881 432114436 /nfs/dbraw/zinc/11/44/36/432114436.db2.gz CAZDSSCFGOEDGH-CZUORRHYSA-N 0 3 310.401 3.265 20 30 DGEDHN C=CCC[C@H](NC(=O)NC(C)(C)CN(C)C)c1ccccc1 ZINC000458563511 243090810 /nfs/dbraw/zinc/09/08/10/243090810.db2.gz DTGPDPIOBDKCSE-INIZCTEOSA-N 0 3 303.450 3.333 20 30 DGEDHN COCc1cccc(OCC2(CN[C@@H]3CCC[C@H]3C#N)CC2)c1 ZINC000459456473 243376597 /nfs/dbraw/zinc/37/65/97/243376597.db2.gz FYFLOIMXYUDIID-FUHWJXTLSA-N 0 3 314.429 3.274 20 30 DGEDHN COCc1cccc(OCC2(CN[C@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000459456470 243377110 /nfs/dbraw/zinc/37/71/10/243377110.db2.gz FYFLOIMXYUDIID-AEFFLSMTSA-N 0 3 314.429 3.274 20 30 DGEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000459740809 243476540 /nfs/dbraw/zinc/47/65/40/243476540.db2.gz MBKNGGKDRWKVLB-CVEARBPZSA-N 0 3 318.417 3.035 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000275121998 212133073 /nfs/dbraw/zinc/13/30/73/212133073.db2.gz IAFXUUNFGDXUGQ-SJLPKXTDSA-N 0 3 300.446 3.147 20 30 DGEDHN C#CCCCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283697744 335007798 /nfs/dbraw/zinc/00/77/98/335007798.db2.gz RVUNNXUKQITAKB-MRXNPFEDSA-N 0 3 321.852 3.045 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000470968980 244198936 /nfs/dbraw/zinc/19/89/36/244198936.db2.gz SZBSWCGWAGNMBK-KSSFIOAISA-N 0 3 309.413 3.326 20 30 DGEDHN CCC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471056258 244203584 /nfs/dbraw/zinc/20/35/84/244203584.db2.gz NLLJBMVNTQOYAL-ROUUACIJSA-N 0 3 309.413 3.279 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)C(F)F)C(C)C ZINC000472155739 244284470 /nfs/dbraw/zinc/28/44/70/244284470.db2.gz LQHGPUKMQUZETC-ZDUSSCGKSA-N 0 3 302.409 3.093 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC2CC2)CC2CCC2)CC1 ZINC000474325657 244388091 /nfs/dbraw/zinc/38/80/91/244388091.db2.gz BXDWHGWNCNKAMI-UHFFFAOYSA-N 0 3 319.493 3.249 20 30 DGEDHN CCN(CC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1C ZINC000120045063 284159556 /nfs/dbraw/zinc/15/95/56/284159556.db2.gz ZHEDGKXWKJBOQU-JSGCOSHPSA-N 0 3 305.447 3.459 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1occc1C)C(C)C ZINC000487846755 245111445 /nfs/dbraw/zinc/11/14/45/245111445.db2.gz YZTFKUDXLAJYEE-INIZCTEOSA-N 0 3 319.449 3.086 20 30 DGEDHN Cc1cc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1C#N ZINC000488125637 245150741 /nfs/dbraw/zinc/15/07/41/245150741.db2.gz GFOGZRVEYQEYSC-JLCFBVMHSA-N 0 3 312.438 3.455 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCC[C@H]1C ZINC000487950348 245127448 /nfs/dbraw/zinc/12/74/48/245127448.db2.gz GRMLCCOFNSIVGV-RHSMWYFYSA-N 0 3 302.418 3.204 20 30 DGEDHN C=CCOc1ccc(CNC(=O)c2ccccc2CN(C)C)cc1 ZINC000487959676 245129382 /nfs/dbraw/zinc/12/93/82/245129382.db2.gz KRJURRZWTJIDTF-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)c1ccc(C#N)c(C)n1 ZINC000488070427 245142966 /nfs/dbraw/zinc/14/29/66/245142966.db2.gz ONJCCBXZXHZGFO-UHFFFAOYSA-N 0 3 308.429 3.350 20 30 DGEDHN CCC1CCC(N(CCO)Cc2ccc(C#N)cc2F)CC1 ZINC000488237159 245166150 /nfs/dbraw/zinc/16/61/50/245166150.db2.gz WTVIXKXIKCPZMD-UHFFFAOYSA-N 0 3 304.409 3.460 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000488563210 245211119 /nfs/dbraw/zinc/21/11/19/245211119.db2.gz OZPXACLQCFTDFA-IBGZPJMESA-N 0 3 323.440 3.241 20 30 DGEDHN COCC(C)(C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000488815690 245235994 /nfs/dbraw/zinc/23/59/94/245235994.db2.gz BENOHYBFDGITQX-KRWDZBQOSA-N 0 3 316.445 3.328 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000489048034 245266683 /nfs/dbraw/zinc/26/66/83/245266683.db2.gz OSPDFBNBZNOUGA-SFHVURJKSA-N 0 3 323.440 3.021 20 30 DGEDHN C=CCCCS(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000489187264 245279523 /nfs/dbraw/zinc/27/95/23/245279523.db2.gz UXISSHPQZQVFED-HNNXBMFYSA-N 0 3 324.490 3.001 20 30 DGEDHN C=CCCCS(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000489187266 245280182 /nfs/dbraw/zinc/28/01/82/245280182.db2.gz UXISSHPQZQVFED-OAHLLOKOSA-N 0 3 324.490 3.001 20 30 DGEDHN C#C[C@H](NC1CCC(C(=O)OC)CC1)c1ccc(Cl)cc1 ZINC000491277010 245486284 /nfs/dbraw/zinc/48/62/84/245486284.db2.gz LZYZSJVYQVCEAW-BCLQGDPASA-N 0 3 305.805 3.336 20 30 DGEDHN COc1ccc(CNCCc2nc3c(cccc3C)o2)cc1C#N ZINC000266275137 205232093 /nfs/dbraw/zinc/23/20/93/205232093.db2.gz DGTVOUIBRXFYDO-UHFFFAOYSA-N 0 3 321.380 3.349 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCC(F)(F)F)C(C)C ZINC000266324823 205267425 /nfs/dbraw/zinc/26/74/25/205267425.db2.gz QMLRHBJBEILCJK-ZDUSSCGKSA-N 0 3 306.372 3.144 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000135140110 335019189 /nfs/dbraw/zinc/01/91/89/335019189.db2.gz OOLSCWFYDOERGN-DNVCBOLYSA-N 0 3 315.461 3.326 20 30 DGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncccc1C#N ZINC000266489119 205384594 /nfs/dbraw/zinc/38/45/94/205384594.db2.gz RTVNQYBPFSAYRK-SFHVURJKSA-N 0 3 320.440 3.302 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000266511497 205399884 /nfs/dbraw/zinc/39/98/84/205399884.db2.gz XMBPYOPQOMXUAM-UONOGXRCSA-N 0 3 319.408 3.489 20 30 DGEDHN COc1ccccc1[C@H](CNc1ccc(C#N)nc1)N1CCCC1 ZINC000267351666 206005271 /nfs/dbraw/zinc/00/52/71/206005271.db2.gz GLJAHYYRXPHGPR-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)nc1 ZINC000267348994 206001636 /nfs/dbraw/zinc/00/16/36/206001636.db2.gz FZADXYFLCGCGMY-HNAYVOBHSA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@H](NCc1cccc(N2CCOC2=O)c1)c1cccc(C#N)c1 ZINC000494713621 246183826 /nfs/dbraw/zinc/18/38/26/246183826.db2.gz WXBGWCUMIZMAPN-AWEZNQCLSA-N 0 3 321.380 3.366 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267535561 206130520 /nfs/dbraw/zinc/13/05/20/206130520.db2.gz YIUOVKMPYHVEBB-HOCLYGCPSA-N 0 3 321.852 3.091 20 30 DGEDHN C=C(C)COCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495048279 246226045 /nfs/dbraw/zinc/22/60/45/246226045.db2.gz JBNKZGBUCMFPPX-QAPCUYQASA-N 0 3 307.409 3.476 20 30 DGEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000495183891 246244739 /nfs/dbraw/zinc/24/47/39/246244739.db2.gz ZJDGNWJOVOPVNH-URLQWDBASA-N 0 3 320.392 3.397 20 30 DGEDHN C[C@@H](CNC1(c2cccc(C#N)c2)CC1)NC(=O)OC(C)(C)C ZINC000495670237 246294009 /nfs/dbraw/zinc/29/40/09/246294009.db2.gz KBWGXNMCFCTVHR-ZDUSSCGKSA-N 0 3 315.417 3.050 20 30 DGEDHN CN(CC1(C#N)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496461334 246398197 /nfs/dbraw/zinc/39/81/97/246398197.db2.gz VDUCAISAXMFCTF-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000286306678 335034677 /nfs/dbraw/zinc/03/46/77/335034677.db2.gz XIJDXTJLOSHFHX-WMLDXEAASA-N 0 3 320.392 3.433 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)NCCOCCOC)cc1 ZINC000268802991 432139486 /nfs/dbraw/zinc/13/94/86/432139486.db2.gz KUYMLYDYCWNHKF-CQSZACIVSA-N 0 3 313.825 3.132 20 30 DGEDHN CN(C)[C@@H](CNc1snc(Cl)c1C#N)c1cccs1 ZINC000047405245 183590107 /nfs/dbraw/zinc/59/01/07/183590107.db2.gz KNPGGTNZOVAMPN-VIFPVBQESA-N 0 3 312.851 3.444 20 30 DGEDHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271910760 209316647 /nfs/dbraw/zinc/31/66/47/209316647.db2.gz ARHQRNDFUCVLDQ-DOMZBBRYSA-N 0 3 304.365 3.034 20 30 DGEDHN C[C@H](c1cccc(O)c1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000109782423 194284628 /nfs/dbraw/zinc/28/46/28/194284628.db2.gz ZGDYVYIBVCKRFR-CQSZACIVSA-N 0 3 323.396 3.285 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268923498 207088222 /nfs/dbraw/zinc/08/82/22/207088222.db2.gz KPUHBDHKBQZZNX-UONOGXRCSA-N 0 3 319.408 3.489 20 30 DGEDHN COc1cc(NC2CCN([C@H](C)CCC#N)CC2)cc(OC)c1 ZINC000298631359 533024749 /nfs/dbraw/zinc/02/47/49/533024749.db2.gz ORRRCCFPVVAZAB-CQSZACIVSA-N 0 3 317.433 3.272 20 30 DGEDHN C=CCCOCCNCc1ccccc1OCc1cccnc1 ZINC000270266213 208332786 /nfs/dbraw/zinc/33/27/86/208332786.db2.gz WUOHALKZNVYNKP-UHFFFAOYSA-N 0 3 312.413 3.343 20 30 DGEDHN COc1cc(CN[C@@H]2CCc3ccccc3OC2)ccc1C#N ZINC000337841409 253182494 /nfs/dbraw/zinc/18/24/94/253182494.db2.gz ZPCYAQGDRSEPCT-QGZVFWFLSA-N 0 3 308.381 3.050 20 30 DGEDHN CCC(CC)(CCO)NCc1ccc(C#N)cc1OC(F)F ZINC000338377814 253276961 /nfs/dbraw/zinc/27/69/61/253276961.db2.gz RDSRNMDTTKQOPL-UHFFFAOYSA-N 0 3 312.360 3.190 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000357828129 533107350 /nfs/dbraw/zinc/10/73/50/533107350.db2.gz OBFLZVBLSGAHKV-JTQLQIEISA-N 0 3 307.191 3.100 20 30 DGEDHN N#Cc1c(NCCN2CCCCCC2)nc2cc(Cl)ccn12 ZINC000341745218 253864417 /nfs/dbraw/zinc/86/44/17/253864417.db2.gz WYQCAMMTQHGAPQ-UHFFFAOYSA-N 0 3 317.824 3.147 20 30 DGEDHN COCC1(C#N)CCN(CCSCc2ccccc2)CC1 ZINC000341975583 533112240 /nfs/dbraw/zinc/11/22/40/533112240.db2.gz JMPYZIDXUJZUQK-UHFFFAOYSA-N 0 3 304.459 3.172 20 30 DGEDHN CN(c1cc(C#N)ccn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000342792754 254051790 /nfs/dbraw/zinc/05/17/90/254051790.db2.gz UUNPAJPQLYMZLF-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN N#Cc1csc(CNCc2ccccc2Cn2ccnc2)c1 ZINC000343160547 254108619 /nfs/dbraw/zinc/10/86/19/254108619.db2.gz XMLUIZKLTFKADI-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN Cc1ccnc(NC[C@@H](C)N2CCc3ccccc3C2)c1C#N ZINC000343511821 254153526 /nfs/dbraw/zinc/15/35/26/254153526.db2.gz MKZLATHNVLQFOP-OAHLLOKOSA-N 0 3 306.413 3.120 20 30 DGEDHN Cc1cc(CN[C@@H]2CCO[C@@H]2c2ccnn2C(C)C)ccc1C#N ZINC000343384861 254135402 /nfs/dbraw/zinc/13/54/02/254135402.db2.gz KAMSFQJKDIYQHO-MJGOQNOKSA-N 0 3 324.428 3.264 20 30 DGEDHN CC(C)n1nccc1[C@@H]1OCC[C@@H]1NCc1ccc(C#N)s1 ZINC000343396109 254137336 /nfs/dbraw/zinc/13/73/36/254137336.db2.gz HXNGVISQGMFFNB-GOEBONIOSA-N 0 3 316.430 3.017 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@H](NCc1cc(C#N)cs1)CC2 ZINC000345026792 254324535 /nfs/dbraw/zinc/32/45/35/254324535.db2.gz YHQSPRIVBHIMHJ-CQSZACIVSA-N 0 3 300.431 3.044 20 30 DGEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000120705286 195220660 /nfs/dbraw/zinc/22/06/60/195220660.db2.gz PGOZFJNHTIRVJG-JSGCOSHPSA-N 0 3 305.447 3.459 20 30 DGEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)c(F)c1 ZINC000289513556 221031553 /nfs/dbraw/zinc/03/15/53/221031553.db2.gz RDMYXHSERCDXMD-SFHVURJKSA-N 0 3 321.399 3.334 20 30 DGEDHN C#C[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000491464223 533266629 /nfs/dbraw/zinc/26/66/29/533266629.db2.gz QQRZNDWNPDLWIY-OAHLLOKOSA-N 0 3 312.791 3.333 20 30 DGEDHN C[C@@H](NCCCC#N)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000346808319 533375892 /nfs/dbraw/zinc/37/58/92/533375892.db2.gz CZUVAUSZKVFVRJ-CQSZACIVSA-N 0 3 320.458 3.357 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)NCCCCC#N)c1ccccc1 ZINC000172263282 533322129 /nfs/dbraw/zinc/32/21/29/533322129.db2.gz KFTTVGKIJCYBQR-OAHLLOKOSA-N 0 3 316.449 3.109 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047548 400088210 /nfs/dbraw/zinc/08/82/10/400088210.db2.gz DSKBEPNQJSFMKK-XNJGSVPQSA-N 0 3 320.389 3.235 20 30 DGEDHN COC(=O)c1csc([C@@H](C)NCCc2ccc(C#N)cc2)c1 ZINC000595055878 400091357 /nfs/dbraw/zinc/09/13/57/400091357.db2.gz LLZUHRXDHWEDAR-GFCCVEGCSA-N 0 3 314.410 3.300 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])C(C)C ZINC000303709146 400111194 /nfs/dbraw/zinc/11/11/94/400111194.db2.gz PMRGJNSAWTZIBZ-HNNXBMFYSA-N 0 3 318.421 3.409 20 30 DGEDHN CC(C)[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000008002709 400116041 /nfs/dbraw/zinc/11/60/41/400116041.db2.gz SFDKPBURPYOBSI-IBGZPJMESA-N 0 3 307.397 3.484 20 30 DGEDHN CC(C)(C(=O)N1CCC(CCC#N)CC1)[C@H](N)c1ccccc1 ZINC000581826117 400083289 /nfs/dbraw/zinc/08/32/89/400083289.db2.gz RQSTWNRFIROJHG-QGZVFWFLSA-N 0 3 313.445 3.255 20 30 DGEDHN N#CC(C(=O)Nc1cccnc1)c1nc2cc(F)ccc2s1 ZINC000609627369 400182223 /nfs/dbraw/zinc/18/22/23/400182223.db2.gz FDSBAYDENROVJZ-NSHDSACASA-N 0 3 312.329 3.076 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595336359 400129945 /nfs/dbraw/zinc/12/99/45/400129945.db2.gz PDIPUCJGEXYXBR-PMACEKPBSA-N 0 3 305.425 3.458 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595336363 400130615 /nfs/dbraw/zinc/13/06/15/400130615.db2.gz PDIPUCJGEXYXBR-UXHICEINSA-N 0 3 305.425 3.458 20 30 DGEDHN C[C@H]1CCN(c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000091729309 400133449 /nfs/dbraw/zinc/13/34/49/400133449.db2.gz JZLLHCZGAIJZOT-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595432260 400148717 /nfs/dbraw/zinc/14/87/17/400148717.db2.gz YDHUZIBFGBWTAV-RUENVJTFSA-N 0 3 313.420 3.054 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000012675880 400149508 /nfs/dbraw/zinc/14/95/08/400149508.db2.gz TVPSCZRBPUKBEF-UCLAIMLFSA-N 0 3 313.445 3.170 20 30 DGEDHN CC[C@H](NCc1ccnc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000586776221 400153500 /nfs/dbraw/zinc/15/35/00/400153500.db2.gz KYJGDPVWVHQDBK-INIZCTEOSA-N 0 3 311.385 3.211 20 30 DGEDHN C[C@@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCCC[C@H]1C ZINC000595447858 400153743 /nfs/dbraw/zinc/15/37/43/400153743.db2.gz GEXOQOVWDSVVNC-CVEARBPZSA-N 0 3 320.481 3.023 20 30 DGEDHN N#Cc1ccc(NC[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000067384793 400166688 /nfs/dbraw/zinc/16/66/88/400166688.db2.gz USYGJDXQAVSQBT-GOSISDBHSA-N 0 3 306.413 3.277 20 30 DGEDHN N#Cc1cccnc1NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067384789 400167087 /nfs/dbraw/zinc/16/70/87/400167087.db2.gz XYCAMQLGIKMPJN-QGZVFWFLSA-N 0 3 306.413 3.277 20 30 DGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC1(C#N)CCCCC1 ZINC000595499772 400168543 /nfs/dbraw/zinc/16/85/43/400168543.db2.gz ANQBRLATAISCRB-HOTGVXAUSA-N 0 3 320.481 3.023 20 30 DGEDHN CC[C@H](CC(F)F)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500281 400169293 /nfs/dbraw/zinc/16/92/93/400169293.db2.gz DJJCXQODDGTCNR-OCCSQVGLSA-N 0 3 309.360 3.088 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)CCCCCC#N)CN1Cc1ccccc1 ZINC000588644097 400219343 /nfs/dbraw/zinc/21/93/43/400219343.db2.gz VIJNWJWSRHAFEZ-FUHWJXTLSA-N 0 3 313.445 3.240 20 30 DGEDHN CC(C)CCOCCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595775275 400255266 /nfs/dbraw/zinc/25/52/66/400255266.db2.gz UPWZVXTZNKKIGX-UHFFFAOYSA-N 0 3 316.445 3.216 20 30 DGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000026221442 400255435 /nfs/dbraw/zinc/25/54/35/400255435.db2.gz NNDJPEZXGKMYKJ-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN C[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000595706790 400237756 /nfs/dbraw/zinc/23/77/56/400237756.db2.gz LJAICQYICXRZTB-IQUTYRLHSA-N 0 3 319.408 3.203 20 30 DGEDHN C=CCC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000595780274 400256600 /nfs/dbraw/zinc/25/66/00/400256600.db2.gz OLRUFRPGWLOWNZ-UHFFFAOYSA-N 0 3 300.362 3.450 20 30 DGEDHN N#CCCCCN1CCN(c2ccc(Br)cc2)CC1 ZINC000595722830 400243027 /nfs/dbraw/zinc/24/30/27/400243027.db2.gz LLZJCGDJMBYPAW-UHFFFAOYSA-N 0 3 322.250 3.265 20 30 DGEDHN N#Cc1csc(CNC[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000588928778 400246699 /nfs/dbraw/zinc/24/66/99/400246699.db2.gz UWMCRFAADRIRDN-ZDUSSCGKSA-N 0 3 306.818 3.139 20 30 DGEDHN CCOc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609841122 400195039 /nfs/dbraw/zinc/19/50/39/400195039.db2.gz BGCCGTWSOIIUAP-RDTXWAMCSA-N 0 3 308.381 3.451 20 30 DGEDHN CC[C@H](CN1CCCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000609839869 400195084 /nfs/dbraw/zinc/19/50/84/400195084.db2.gz FFVAVFHIWNOHME-GFCCVEGCSA-N 0 3 312.339 3.258 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000595602023 400199842 /nfs/dbraw/zinc/19/98/42/400199842.db2.gz FSQCUJHIHXGUFE-GDBMZVCRSA-N 0 3 315.417 3.431 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC000595609997 400204964 /nfs/dbraw/zinc/20/49/64/400204964.db2.gz RKKSHCRQNQPBAO-WMZOPIPTSA-N 0 3 324.424 3.205 20 30 DGEDHN CC(C)(NCC[S@](=O)c1ccccc1)c1cccc(C#N)c1 ZINC000595635861 400213736 /nfs/dbraw/zinc/21/37/36/400213736.db2.gz NLOUTVFNPMGNKD-QFIPXVFZSA-N 0 3 312.438 3.191 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826739 400272952 /nfs/dbraw/zinc/27/29/52/400272952.db2.gz OQXLVZAQXIHOKQ-IBGZPJMESA-N 0 3 321.424 3.278 20 30 DGEDHN CCOC(=O)CCN(CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000610542809 400273691 /nfs/dbraw/zinc/27/36/91/400273691.db2.gz BAKJMFZPHSHSID-UHFFFAOYSA-N 0 3 319.832 3.357 20 30 DGEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1Cl)c1cccc(F)c1 ZINC000068659151 400277158 /nfs/dbraw/zinc/27/71/58/400277158.db2.gz AJLYQBPKPWVCAV-HNNXBMFYSA-N 0 3 318.783 3.461 20 30 DGEDHN CC(C)Oc1ccc2nccc(N3CCN(CCC#N)CC3)c2c1 ZINC000601261419 400277875 /nfs/dbraw/zinc/27/78/75/400277875.db2.gz CWZJRYPVXXCWSX-UHFFFAOYSA-N 0 3 324.428 3.058 20 30 DGEDHN C=CCN1CCC(Nc2nc(-c3ccccn3)nc(C)c2C)CC1 ZINC000068702538 400280660 /nfs/dbraw/zinc/28/06/60/400280660.db2.gz USWQSVPMLROYJY-UHFFFAOYSA-N 0 3 323.444 3.218 20 30 DGEDHN CC(C)(CCC#N)CNc1ccc(CN2CCC(O)CC2)cc1 ZINC000610909756 400323126 /nfs/dbraw/zinc/32/31/26/400323126.db2.gz HAECXFHIJKQBMA-UHFFFAOYSA-N 0 3 315.461 3.385 20 30 DGEDHN C[C@]1(NCc2ccc(C#N)cc2F)CCN(Cc2ccccc2)C1 ZINC000405986804 400300736 /nfs/dbraw/zinc/30/07/36/400300736.db2.gz KSNREWZVEBQHTK-FQEVSTJZSA-N 0 3 323.415 3.452 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596114314 400320589 /nfs/dbraw/zinc/32/05/89/400320589.db2.gz CSDYDWKKYUERSR-UHFFFAOYSA-N 0 3 319.405 3.364 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000068387615 400257664 /nfs/dbraw/zinc/25/76/64/400257664.db2.gz FNYPFMJJODUHCT-OAHLLOKOSA-N 0 3 313.445 3.316 20 30 DGEDHN COc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1C#N ZINC000595785344 400259947 /nfs/dbraw/zinc/25/99/47/400259947.db2.gz DSWBMZFLDOGWGJ-APWZRJJASA-N 0 3 314.429 3.348 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611388320 400389602 /nfs/dbraw/zinc/38/96/02/400389602.db2.gz ZVPJKFJPDIHQLT-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN CCc1cccc(OC[C@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611388599 400390367 /nfs/dbraw/zinc/39/03/67/400390367.db2.gz PUQPAIDFGUCSFJ-DNVCBOLYSA-N 0 3 324.424 3.211 20 30 DGEDHN Cc1ccc(C#N)nc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000596144770 400328977 /nfs/dbraw/zinc/32/89/77/400328977.db2.gz NCTSBJZGIZGJAG-QGZVFWFLSA-N 0 3 320.440 3.363 20 30 DGEDHN C=CCCCCN1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000578604292 400330615 /nfs/dbraw/zinc/33/06/15/400330615.db2.gz ZTZLPVDJYOWERA-UHFFFAOYSA-N 0 3 316.445 3.086 20 30 DGEDHN C=CCC1(CNC(=O)N2CC[C@H](N3CCCC3)C2)CCCC1 ZINC000580997704 400349098 /nfs/dbraw/zinc/34/90/98/400349098.db2.gz SUCQLNHXQZNXJW-INIZCTEOSA-N 0 3 305.466 3.003 20 30 DGEDHN Cc1cc(NC[C@H]2CCCCN2C2CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596211092 400351973 /nfs/dbraw/zinc/35/19/73/400351973.db2.gz POVXEIBWFKVOKF-MRXNPFEDSA-N 0 3 314.389 3.204 20 30 DGEDHN N#CCCN1CCN(CCCc2cccc3ccccc32)CC1 ZINC000611175964 400354651 /nfs/dbraw/zinc/35/46/51/400354651.db2.gz QNQFFGCRVMXZGP-UHFFFAOYSA-N 0 3 307.441 3.304 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC000590168615 400366412 /nfs/dbraw/zinc/36/64/12/400366412.db2.gz FOQVWNHWVGMLJS-WBVHZDCISA-N 0 3 302.393 3.499 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000115372878 400396720 /nfs/dbraw/zinc/39/67/20/400396720.db2.gz LLIBRCKPKFWXFM-KRWDZBQOSA-N 0 3 312.457 3.263 20 30 DGEDHN C[C@H](NCCN1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000611465546 400405961 /nfs/dbraw/zinc/40/59/61/400405961.db2.gz QUNLXTDMTRMREI-AWEZNQCLSA-N 0 3 309.388 3.364 20 30 DGEDHN CCOC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000590646872 400408419 /nfs/dbraw/zinc/40/84/19/400408419.db2.gz QLKNBJPMNKRCEL-LBPRGKRZSA-N 0 3 311.385 3.222 20 30 DGEDHN CN(CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC(C)(C)C ZINC000602164143 400420283 /nfs/dbraw/zinc/42/02/83/400420283.db2.gz MGVBJCDAMROPJK-KRWDZBQOSA-N 0 3 313.445 3.030 20 30 DGEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CC2CCCC2)CC1 ZINC000611552732 400420295 /nfs/dbraw/zinc/42/02/95/400420295.db2.gz JMEKHWSECJFJCG-SFHVURJKSA-N 0 3 301.409 3.198 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)nc1 ZINC000119276847 400435330 /nfs/dbraw/zinc/43/53/30/400435330.db2.gz LYNDAGZXODCHBQ-UHFFFAOYSA-N 0 3 308.429 3.431 20 30 DGEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C12CCCC2 ZINC000590739071 400426802 /nfs/dbraw/zinc/42/68/02/400426802.db2.gz NRCLHWFRXVOJLL-ROUUACIJSA-N 0 3 314.429 3.394 20 30 DGEDHN N#Cc1ccc(NC[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000596558281 400444258 /nfs/dbraw/zinc/44/42/58/400444258.db2.gz PUNRWAXLTKXBFU-KRWDZBQOSA-N 0 3 322.368 3.153 20 30 DGEDHN CN(C)CCOc1ccc(CNc2ccc(F)c(C#N)c2)cc1 ZINC000617817956 400456986 /nfs/dbraw/zinc/45/69/86/400456986.db2.gz NMUHVHGIXVYWAK-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN C[C@@H](CNCc1cccc(C#N)n1)Oc1cccc(Cl)c1 ZINC000602569361 400499668 /nfs/dbraw/zinc/49/96/68/400499668.db2.gz QUYOODMUOBDZNC-LBPRGKRZSA-N 0 3 301.777 3.164 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@H]2NCc2cccc(C#N)n2)cc1 ZINC000602574185 400501754 /nfs/dbraw/zinc/50/17/54/400501754.db2.gz YAHWQYOYVHLZFX-MOPGFXCFSA-N 0 3 307.397 3.272 20 30 DGEDHN C[C@H](CNC(=O)CC1(C#N)CCCCC1)N1CCCC[C@H]1C ZINC000596796440 400502124 /nfs/dbraw/zinc/50/21/24/400502124.db2.gz FKITXWIXFVBBDD-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000596797073 400502182 /nfs/dbraw/zinc/50/21/82/400502182.db2.gz PKGMPCHSKMYLSM-GFCCVEGCSA-N 0 3 320.824 3.206 20 30 DGEDHN C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000591318582 400509745 /nfs/dbraw/zinc/50/97/45/400509745.db2.gz NEMZECNBKYJLMQ-HNAYVOBHSA-N 0 3 321.424 3.428 20 30 DGEDHN COc1ccc(C2(CNCc3cccc(C#N)n3)CCC2)cc1 ZINC000602606222 400509849 /nfs/dbraw/zinc/50/98/49/400509849.db2.gz CTGQZRXCSXWQBR-UHFFFAOYSA-N 0 3 307.397 3.173 20 30 DGEDHN COc1ccc(C)cc1CN1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602435632 400461310 /nfs/dbraw/zinc/46/13/10/400461310.db2.gz JKBDROOKBIKYLO-KRWDZBQOSA-N 0 3 315.461 3.061 20 30 DGEDHN CCC[C@H](CN1CCC(Oc2cccc(C#N)c2)CC1)OC ZINC000602454089 400466901 /nfs/dbraw/zinc/46/69/01/400466901.db2.gz OIBFPTYRRIGMQG-GOSISDBHSA-N 0 3 302.418 3.217 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000123458504 400469882 /nfs/dbraw/zinc/46/98/82/400469882.db2.gz WJDKNRMQSAPCNQ-CHWSQXEVSA-N 0 3 319.836 3.062 20 30 DGEDHN N#Cc1cccc(CN(Cc2ccccc2)CC2CCOCC2)n1 ZINC000602472868 400471529 /nfs/dbraw/zinc/47/15/29/400471529.db2.gz MSMSIUTXQQZMCK-UHFFFAOYSA-N 0 3 321.424 3.382 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000602614541 400511758 /nfs/dbraw/zinc/51/17/58/400511758.db2.gz SOXKWDNLMHQBRX-QAPCUYQASA-N 0 3 311.360 3.102 20 30 DGEDHN C[C@H](CCC#N)CNc1ccccc1CN1CCC(CO)CC1 ZINC000602488904 400477417 /nfs/dbraw/zinc/47/74/17/400477417.db2.gz BTZPDPKKASPWCV-MRXNPFEDSA-N 0 3 315.461 3.243 20 30 DGEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1F ZINC000602504601 400481330 /nfs/dbraw/zinc/48/13/30/400481330.db2.gz AEACWFJQBXQGOG-ZDUSSCGKSA-N 0 3 306.381 3.023 20 30 DGEDHN COc1ncc(CNCCSCc2ccccc2C#N)s1 ZINC000602504128 400481572 /nfs/dbraw/zinc/48/15/72/400481572.db2.gz SOXVVDLSUROYRQ-UHFFFAOYSA-N 0 3 319.455 3.046 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OC(F)F)cc1 ZINC000602503043 400481862 /nfs/dbraw/zinc/48/18/62/400481862.db2.gz KJCGNILEUWONCP-ZDUSSCGKSA-N 0 3 324.371 3.477 20 30 DGEDHN COc1ccc(C)cc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602506998 400482780 /nfs/dbraw/zinc/48/27/80/400482780.db2.gz MTPVJDRUSIQQFN-HNNXBMFYSA-N 0 3 302.418 3.192 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](c1ccsc1)N(C)C ZINC000602512729 400483924 /nfs/dbraw/zinc/48/39/24/400483924.db2.gz SYBOEFUSWLDNIW-GOEBONIOSA-N 0 3 321.490 3.039 20 30 DGEDHN N#Cc1cccc(CNC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000602519835 400487216 /nfs/dbraw/zinc/48/72/16/400487216.db2.gz BOVKIMVFVDXGOJ-APWZRJJASA-N 0 3 307.397 3.211 20 30 DGEDHN COc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccc1C ZINC000602525777 400488762 /nfs/dbraw/zinc/48/87/62/400488762.db2.gz AUODLUVQYKLHAE-OAHLLOKOSA-N 0 3 302.418 3.192 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602549560 400494185 /nfs/dbraw/zinc/49/41/85/400494185.db2.gz DRPMGELOVLVTBG-INIZCTEOSA-N 0 3 314.429 3.440 20 30 DGEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cccc(C#N)n1 ZINC000602558871 400496008 /nfs/dbraw/zinc/49/60/08/400496008.db2.gz WECBBMGQRGITOI-SJCJKPOMSA-N 0 3 315.804 3.472 20 30 DGEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(F)c1 ZINC000602568932 400499018 /nfs/dbraw/zinc/49/90/18/400499018.db2.gz PKBFXIVPRVDAJW-ZDUSSCGKSA-N 0 3 306.381 3.023 20 30 DGEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(F)c1 ZINC000602568931 400499042 /nfs/dbraw/zinc/49/90/42/400499042.db2.gz PKBFXIVPRVDAJW-CYBMUJFWSA-N 0 3 306.381 3.023 20 30 DGEDHN N#CC1(c2ccc(CN3CCC(c4ccncn4)CC3)cc2)CC1 ZINC000597151593 400571784 /nfs/dbraw/zinc/57/17/84/400571784.db2.gz PIBQHJVSUYKOLL-UHFFFAOYSA-N 0 3 318.424 3.411 20 30 DGEDHN Cc1c(CN[C@H](C)CC2(C#N)CCOCC2)cccc1[N+](=O)[O-] ZINC000602634998 400519035 /nfs/dbraw/zinc/51/90/35/400519035.db2.gz RGSCKBFTHSDYJW-CYBMUJFWSA-N 0 3 317.389 3.092 20 30 DGEDHN CN(CCNC(=O)CC1(C#N)CCCCC1)Cc1ccccc1 ZINC000596898420 400519933 /nfs/dbraw/zinc/51/99/33/400519933.db2.gz LIIQMRUQHFMPJR-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C#N)c(Cl)c1 ZINC000602658600 400527009 /nfs/dbraw/zinc/52/70/09/400527009.db2.gz LUWVPOQTWRUKQR-ZDUSSCGKSA-N 0 3 317.820 3.400 20 30 DGEDHN N#Cc1cccc(CNCCN2CCC3(CCCCC3)CC2)n1 ZINC000602657247 400527596 /nfs/dbraw/zinc/52/75/96/400527596.db2.gz QMZXWHFXZJIVKA-UHFFFAOYSA-N 0 3 312.461 3.089 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1sccc1C)C(C)C ZINC000046049402 400547035 /nfs/dbraw/zinc/54/70/35/400547035.db2.gz BJTKRMSRFSLNJZ-HNNXBMFYSA-N 0 3 306.475 3.485 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1sccc1C)C(C)C ZINC000046049403 400547071 /nfs/dbraw/zinc/54/70/71/400547071.db2.gz BJTKRMSRFSLNJZ-OAHLLOKOSA-N 0 3 306.475 3.485 20 30 DGEDHN COc1cc2c(cc1OC)[C@H](N1CCC[C@H](CC#N)C1)CC2 ZINC000602710767 400547858 /nfs/dbraw/zinc/54/78/58/400547858.db2.gz XFWJXRXTQRQMQL-CZUORRHYSA-N 0 3 300.402 3.317 20 30 DGEDHN COC(=O)c1cnc(C2CCN(C[C@@H](C)CCC#N)CC2)s1 ZINC000602720067 400550813 /nfs/dbraw/zinc/55/08/13/400550813.db2.gz HFGCTLHXACAKAN-LBPRGKRZSA-N 0 3 321.446 3.049 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602805875 400580312 /nfs/dbraw/zinc/58/03/12/400580312.db2.gz RAXFVKRUICXLDW-MRXNPFEDSA-N 0 3 300.402 3.353 20 30 DGEDHN CC[C@@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C#N)cc1 ZINC000618571792 400627320 /nfs/dbraw/zinc/62/73/20/400627320.db2.gz ZNUFAMAGBFGPPZ-MSOLQXFVSA-N 0 3 313.445 3.246 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc3ccccc3o2)CC1 ZINC000592071241 400602756 /nfs/dbraw/zinc/60/27/56/400602756.db2.gz ORWDZPSRSFWXPX-UHFFFAOYSA-N 0 3 312.413 3.132 20 30 DGEDHN CC[C@](C)(NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000602925035 400609368 /nfs/dbraw/zinc/60/93/68/400609368.db2.gz GLGBLTHOENXLOV-ZWKOTPCHSA-N 0 3 319.424 3.095 20 30 DGEDHN CCN(Cc1ccnc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000612825300 400610037 /nfs/dbraw/zinc/61/00/37/400610037.db2.gz HRDBJARLMYMPIW-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN N#Cc1cccc(OCCCN2CC[C@H](c3cccnc3)C2)c1 ZINC000592140205 400612460 /nfs/dbraw/zinc/61/24/60/400612460.db2.gz SZZZITDPINPGFK-SFHVURJKSA-N 0 3 307.397 3.212 20 30 DGEDHN CC(C)(C#N)CCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603142087 400647766 /nfs/dbraw/zinc/64/77/66/400647766.db2.gz BKMKLYZWAVLVND-KBPBESRZSA-N 0 3 314.351 3.050 20 30 DGEDHN CC[C@H]1CN(C)CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000597606033 400651565 /nfs/dbraw/zinc/65/15/65/400651565.db2.gz TXTVOMQGRJJAGC-MSOLQXFVSA-N 0 3 313.445 3.017 20 30 DGEDHN CCCN(C)[C@H](CNC(=O)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000597639930 400655128 /nfs/dbraw/zinc/65/51/28/400655128.db2.gz SPZGPFBCZSUNJH-CZUORRHYSA-N 0 3 321.852 3.389 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C2CCC(CC)CC2)CC1 ZINC000592526112 400665328 /nfs/dbraw/zinc/66/53/28/400665328.db2.gz HZSKZRNQLKAQKJ-UHFFFAOYSA-N 0 3 307.482 3.247 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000048715365 400659470 /nfs/dbraw/zinc/65/94/70/400659470.db2.gz OUCPXPHTMRVMQP-ZDUSSCGKSA-N 0 3 305.381 3.294 20 30 DGEDHN Cc1ccn(-c2ccc(C(=O)C(C#N)c3nc(C)cs3)cc2)n1 ZINC000048788868 400660896 /nfs/dbraw/zinc/66/08/96/400660896.db2.gz YGVSORBRUZZGLH-HNNXBMFYSA-N 0 3 322.393 3.436 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N(CC)CC)cc1 ZINC000597691950 400661604 /nfs/dbraw/zinc/66/16/04/400661604.db2.gz JIPARINELHTBJN-YJBOKZPZSA-N 0 3 315.461 3.298 20 30 DGEDHN Cc1ccc2ncc(CN[C@@H]3CCc4cc(C#N)ccc43)n2c1 ZINC000618743162 400680487 /nfs/dbraw/zinc/68/04/87/400680487.db2.gz YMKYVBZXOQKADW-GOSISDBHSA-N 0 3 302.381 3.292 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597860994 400681538 /nfs/dbraw/zinc/68/15/38/400681538.db2.gz QXGMXRPGOWKGLO-MRXNPFEDSA-N 0 3 313.445 3.090 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000613252247 400683521 /nfs/dbraw/zinc/68/35/21/400683521.db2.gz HVQOKFYKENAEQD-NVXWUHKLSA-N 0 3 313.445 3.138 20 30 DGEDHN C#CCCOc1ccc(CNC[C@](C)(O)c2ccsc2)cc1 ZINC000077460922 400718721 /nfs/dbraw/zinc/71/87/21/400718721.db2.gz GTHMFMFKPPINPZ-SFHVURJKSA-N 0 3 315.438 3.148 20 30 DGEDHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157963210 400721898 /nfs/dbraw/zinc/72/18/98/400721898.db2.gz UWVSARFNXFKREF-NSHDSACASA-N 0 3 317.458 3.167 20 30 DGEDHN CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCN(CC)C1 ZINC000598039432 400723828 /nfs/dbraw/zinc/72/38/28/400723828.db2.gz JWYBTRXSGVGZCX-ROUUACIJSA-N 0 3 313.445 3.017 20 30 DGEDHN CCN(CCOc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000603854509 400724315 /nfs/dbraw/zinc/72/43/15/400724315.db2.gz BTSDRXXLCKKREG-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000158452550 400725637 /nfs/dbraw/zinc/72/56/37/400725637.db2.gz DZIDIPAOJHUIAT-WBVHZDCISA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)(C)OCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000598181688 400755303 /nfs/dbraw/zinc/75/53/03/400755303.db2.gz CRNRQQYNYTWAKT-INIZCTEOSA-N 0 3 302.418 3.080 20 30 DGEDHN C[C@H](C#N)N(C(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000598125354 400744951 /nfs/dbraw/zinc/74/49/51/400744951.db2.gz JOBNNIDRCOVAIZ-OAHLLOKOSA-N 0 3 311.429 3.189 20 30 DGEDHN CCc1ccc([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000603629016 400705851 /nfs/dbraw/zinc/70/58/51/400705851.db2.gz XCENYRPSZCLUHO-OAHLLOKOSA-N 0 3 321.424 3.088 20 30 DGEDHN C[C@H]1CCN(Cc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000618904942 400715960 /nfs/dbraw/zinc/71/59/60/400715960.db2.gz MZXPKDQEHDMFJX-KRWDZBQOSA-N 0 3 320.440 3.050 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H](CC)c2ccccc2)CC1 ZINC000171702161 400804254 /nfs/dbraw/zinc/80/42/54/400804254.db2.gz VXGSBLKLHHWLDQ-MRXNPFEDSA-N 0 3 315.461 3.130 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000078515766 400806983 /nfs/dbraw/zinc/80/69/83/400806983.db2.gz CJJNPTGRRZGCRA-GOSISDBHSA-N 0 3 309.388 3.061 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000054226408 400815585 /nfs/dbraw/zinc/81/55/85/400815585.db2.gz GLUMBEJJRYIUEQ-KXBFYZLASA-N 0 3 319.408 3.124 20 30 DGEDHN CC1(C)[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1(F)F ZINC000598341284 400790216 /nfs/dbraw/zinc/79/02/16/400790216.db2.gz RUNSDUQCJMAHGP-UONOGXRCSA-N 0 3 306.356 3.166 20 30 DGEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cn1)c1cccc(OC)c1 ZINC000078366743 400793460 /nfs/dbraw/zinc/79/34/60/400793460.db2.gz UGVWIIVCYDLQMV-SFHVURJKSA-N 0 3 324.428 3.457 20 30 DGEDHN CO[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000598393405 400801424 /nfs/dbraw/zinc/80/14/24/400801424.db2.gz HUYVUBIHSNGRSO-MSOLQXFVSA-N 0 3 314.429 3.080 20 30 DGEDHN COCCO[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000179355631 400877220 /nfs/dbraw/zinc/87/72/20/400877220.db2.gz DKRQHQZTRJCWHJ-KRWDZBQOSA-N 0 3 316.445 3.115 20 30 DGEDHN C[C@]1(NC(=O)CCCCCC#N)CCN(Cc2ccccc2)C1 ZINC000593336211 400823554 /nfs/dbraw/zinc/82/35/54/400823554.db2.gz FAHFGPMULYYCQW-IBGZPJMESA-N 0 3 313.445 3.241 20 30 DGEDHN COCCN(Cc1ccc(C)cc1C)C[C@@H](O)CC(C)(C)C#N ZINC000598587359 400836712 /nfs/dbraw/zinc/83/67/12/400836712.db2.gz REYMPVDIPPMZJC-SFHVURJKSA-N 0 3 318.461 3.053 20 30 DGEDHN C[C@@H]1SCCN(C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000598593242 400839086 /nfs/dbraw/zinc/83/90/86/400839086.db2.gz RELWQMJSOYWNCN-BHYGNILZSA-N 0 3 318.486 3.466 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000598599801 400841862 /nfs/dbraw/zinc/84/18/62/400841862.db2.gz FLCZJRZSNCYDPO-CYBMUJFWSA-N 0 3 308.372 3.234 20 30 DGEDHN C=CCSCCNCc1ccnn1CCc1ccccc1 ZINC000598635669 400847888 /nfs/dbraw/zinc/84/78/88/400847888.db2.gz YQZCKNADEAUVAD-UHFFFAOYSA-N 0 3 301.459 3.135 20 30 DGEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000598666066 400853791 /nfs/dbraw/zinc/85/37/91/400853791.db2.gz FRBSVYXUNXCAKQ-INIZCTEOSA-N 0 3 321.852 3.346 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)cc1Cl ZINC000598703282 400861174 /nfs/dbraw/zinc/86/11/74/400861174.db2.gz FJSDCPGKHNBEBF-GFCCVEGCSA-N 0 3 301.217 3.384 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000181010102 400887124 /nfs/dbraw/zinc/88/71/24/400887124.db2.gz WZQQRVVWKWKTAA-NSHDSACASA-N 0 3 306.243 3.470 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(Cl)c1Cl ZINC000598713947 400863870 /nfs/dbraw/zinc/86/38/70/400863870.db2.gz FHSHJSLXZALBTQ-LLVKDONJSA-N 0 3 301.217 3.384 20 30 DGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598725804 400866736 /nfs/dbraw/zinc/86/67/36/400866736.db2.gz ZZGOVPZXAFEUNG-CQSZACIVSA-N 0 3 314.351 3.404 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(SCC#N)c2)nc(C)n1 ZINC000080379060 400946055 /nfs/dbraw/zinc/94/60/55/400946055.db2.gz NNAJBAQNIYXALE-OAHLLOKOSA-N 0 3 322.393 3.199 20 30 DGEDHN C[C@@H](CCO)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000593694228 400893438 /nfs/dbraw/zinc/89/34/38/400893438.db2.gz KMXUCLLEVYNBPA-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN C=C[C@@H](Nc1cccc2c1CN([C@@H](C)C(C)C)C2)C(=O)OC ZINC000619734819 400895740 /nfs/dbraw/zinc/89/57/40/400895740.db2.gz TUWWMKVGNNZHDO-XJKSGUPXSA-N 0 3 302.418 3.186 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C#N)CC)N(CC)CC)cc1 ZINC000593724911 400899097 /nfs/dbraw/zinc/89/90/97/400899097.db2.gz BGTSEGGMGFCPOG-AEFFLSMTSA-N 0 3 315.461 3.298 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccsc1 ZINC000619783601 400906480 /nfs/dbraw/zinc/90/64/80/400906480.db2.gz UHAWILNNTVIRNX-GFCCVEGCSA-N 0 3 302.399 3.358 20 30 DGEDHN CC[C@H]1COC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000593791745 400910860 /nfs/dbraw/zinc/91/08/60/400910860.db2.gz ZWZTUJKNFLVDFW-SJORKVTESA-N 0 3 314.429 3.175 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1 ZINC000619902198 400917683 /nfs/dbraw/zinc/91/76/83/400917683.db2.gz BUZPHWBYFRHQFN-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN CN(CCN1CCCCC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000593882730 400917865 /nfs/dbraw/zinc/91/78/65/400917865.db2.gz LDKXDYUWXVKMGK-GOSISDBHSA-N 0 3 313.445 3.018 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000195686888 400926685 /nfs/dbraw/zinc/92/66/85/400926685.db2.gz PCKZRKYPYAGUJU-LJQANCHMSA-N 0 3 311.425 3.287 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599011141 400926810 /nfs/dbraw/zinc/92/68/10/400926810.db2.gz ZKLRXDZJEQFZIK-UKRRQHHQSA-N 0 3 310.319 3.234 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599007379 400926861 /nfs/dbraw/zinc/92/68/61/400926861.db2.gz QAKREQFQOREKQS-FUHWJXTLSA-N 0 3 300.402 3.026 20 30 DGEDHN Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1C#N ZINC000599268985 401005942 /nfs/dbraw/zinc/00/59/42/401005942.db2.gz LNUXUOOWYJKLKV-PMACEKPBSA-N 0 3 317.436 3.435 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCN(C2CCC2)C1=O ZINC000599093746 400958752 /nfs/dbraw/zinc/95/87/52/400958752.db2.gz RCTHAKVWMGYZKZ-OALUTQOASA-N 0 3 323.440 3.069 20 30 DGEDHN Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1C#N ZINC000599305682 401017276 /nfs/dbraw/zinc/01/72/76/401017276.db2.gz BDHZEDKVSCDVEI-FQEVSTJZSA-N 0 3 306.409 3.349 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000615351992 401060348 /nfs/dbraw/zinc/06/03/48/401060348.db2.gz SMZAYBPEXADQJY-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000594424488 401061808 /nfs/dbraw/zinc/06/18/08/401061808.db2.gz FIPZRHZUCGBTPE-MCMJNGCASA-N 0 3 317.477 3.119 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515495 401066315 /nfs/dbraw/zinc/06/63/15/401066315.db2.gz DFNZVNDFVMUFCT-HUUCEWRRSA-N 0 3 322.399 3.445 20 30 DGEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594432833 401067550 /nfs/dbraw/zinc/06/75/50/401067550.db2.gz CARFJDCSJXILQX-GHMZBOCLSA-N 0 3 313.854 3.380 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000594445192 401071897 /nfs/dbraw/zinc/07/18/97/401071897.db2.gz BJDVXCVTXZTGRE-STQMWFEESA-N 0 3 319.371 3.025 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC000599345042 401027885 /nfs/dbraw/zinc/02/78/85/401027885.db2.gz KWVDXMYIWXYBNV-CJNGLKHVSA-N 0 3 322.836 3.062 20 30 DGEDHN N#Cc1ccc(NCC2CCN(Cc3cccs3)CC2)nc1 ZINC000057854766 401031170 /nfs/dbraw/zinc/03/11/70/401031170.db2.gz VPSCPESXUDGDJR-UHFFFAOYSA-N 0 3 312.442 3.339 20 30 DGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)C1CC1 ZINC000599353237 401032288 /nfs/dbraw/zinc/03/22/88/401032288.db2.gz GVPORWLXFTUJJK-UYAOXDASSA-N 0 3 322.408 3.039 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2C)[C@@H]2CCC[C@H]21 ZINC000599656029 401105052 /nfs/dbraw/zinc/10/50/52/401105052.db2.gz SNNJWRSLDGPAPZ-RCCFBDPRSA-N 0 3 312.413 3.030 20 30 DGEDHN CCc1cc(CCCN2CCc3c(CC#N)cccc3C2)on1 ZINC000599677490 401109736 /nfs/dbraw/zinc/10/97/36/401109736.db2.gz HTBDCIDCZXBDGN-UHFFFAOYSA-N 0 3 309.413 3.294 20 30 DGEDHN C/C=C\C[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599691934 401117690 /nfs/dbraw/zinc/11/76/90/401117690.db2.gz VCUFDVDEJGTYGV-VCKBAZOKSA-N 0 3 305.466 3.108 20 30 DGEDHN C[C@H](CCC#N)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599643594 401100278 /nfs/dbraw/zinc/10/02/78/401100278.db2.gz ORGYNCYOAFMMQL-CYBMUJFWSA-N 0 3 302.422 3.284 20 30 DGEDHN Cn1ncc(C2CC2)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000594949895 401204095 /nfs/dbraw/zinc/20/40/95/401204095.db2.gz HNLQTUZBZFCKNH-SFHVURJKSA-N 0 3 306.413 3.336 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCN(c3ccccc3Cl)C2)o1 ZINC000594955102 401205780 /nfs/dbraw/zinc/20/57/80/401205780.db2.gz NSDIYEWYCFRATJ-CYBMUJFWSA-N 0 3 315.804 3.421 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCN2Cc2ccccc2)c(F)c1 ZINC000594997695 401223909 /nfs/dbraw/zinc/22/39/09/401223909.db2.gz BCBMNCFTFAEFII-GOSISDBHSA-N 0 3 309.388 3.061 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000594914426 401186189 /nfs/dbraw/zinc/18/61/89/401186189.db2.gz IBUUVTDEGSUFQX-LJQANCHMSA-N 0 3 308.381 3.016 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccncc1 ZINC000600391242 401244654 /nfs/dbraw/zinc/24/46/54/401244654.db2.gz QOZVEEOVERHZMC-MAUKXSAKSA-N 0 3 307.397 3.074 20 30 DGEDHN C=CCC1(NCCS(=O)(=O)c2ccccc2)CCCCC1 ZINC000625936245 401260245 /nfs/dbraw/zinc/26/02/45/401260245.db2.gz FKOJUWAFMXWNCY-UHFFFAOYSA-N 0 3 307.459 3.329 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCC[C@@H](O)CC)cc1OC ZINC000623450928 401522320 /nfs/dbraw/zinc/52/23/20/401522320.db2.gz CULVPWLTXBUDBT-ZDUSSCGKSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)CCCOC)cc1OC ZINC000628156664 401537474 /nfs/dbraw/zinc/53/74/74/401537474.db2.gz YDJANRSALLPNNU-UHFFFAOYSA-N 0 3 313.825 3.382 20 30 DGEDHN Cc1ccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000329644014 292211388 /nfs/dbraw/zinc/21/13/88/292211388.db2.gz DCOMDHHXVUTDQF-QAPCUYQASA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1ccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000329644014 292211389 /nfs/dbraw/zinc/21/13/89/292211389.db2.gz DCOMDHHXVUTDQF-QAPCUYQASA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccc1F ZINC000348007448 533675541 /nfs/dbraw/zinc/67/55/41/533675541.db2.gz IINAYUWBVBGHFB-KRWDZBQOSA-N 0 3 321.355 3.004 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1ccc(F)c(C#N)c1)C(C)C ZINC000186668208 165054730 /nfs/dbraw/zinc/05/47/30/165054730.db2.gz UCAZJJYLBVCYIM-QGZVFWFLSA-N 0 3 306.381 3.155 20 30 DGEDHN CN(CCCOc1ccc(Cl)cc1)Cc1cc(C#N)n(C)c1 ZINC000191262466 165239782 /nfs/dbraw/zinc/23/97/82/165239782.db2.gz GKOGDJYAHPSGGU-UHFFFAOYSA-N 0 3 317.820 3.451 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000191469907 165252828 /nfs/dbraw/zinc/25/28/28/165252828.db2.gz SUZBZXGNQZHEMA-LJQANCHMSA-N 0 3 324.424 3.256 20 30 DGEDHN C[C@H](O)[C@@](C)(CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000191712152 165266523 /nfs/dbraw/zinc/26/65/23/165266523.db2.gz MQEUTXJOERRTGF-KBXCAEBGSA-N 0 3 314.454 3.339 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)c(F)c1)C(C)C ZINC000192195575 165286880 /nfs/dbraw/zinc/28/68/80/165286880.db2.gz QDMMOAQHSKRXBH-QGZVFWFLSA-N 0 3 306.381 3.155 20 30 DGEDHN N#Cc1cccc(OCCN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192365107 165290611 /nfs/dbraw/zinc/29/06/11/165290611.db2.gz DNLKDBRKVHTMPF-SFHVURJKSA-N 0 3 308.381 3.310 20 30 DGEDHN CC[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447887820 287119741 /nfs/dbraw/zinc/11/97/41/287119741.db2.gz ALUYGHODCURDNZ-YXJHDRRASA-N 0 3 311.429 3.317 20 30 DGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269090462 432152577 /nfs/dbraw/zinc/15/25/77/432152577.db2.gz BYUROMBFVPOANZ-CYBMUJFWSA-N 0 3 320.824 3.017 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2nc3ccccc3s2)CC1 ZINC000171679878 432160350 /nfs/dbraw/zinc/16/03/50/432160350.db2.gz MDOMRQWBECGPAD-UHFFFAOYSA-N 0 3 316.430 3.068 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccccc2Cl)CC1 ZINC000171716039 432164061 /nfs/dbraw/zinc/16/40/61/432164061.db2.gz OZKHFBCCUSVXLB-UHFFFAOYSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCCc2ccc(C)cc2)CC1 ZINC000171717463 432165195 /nfs/dbraw/zinc/16/51/95/432165195.db2.gz BXJGOBXCHQNRHT-UHFFFAOYSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC2CCCCC2)C2CC2)CC1 ZINC000171741014 432166518 /nfs/dbraw/zinc/16/65/18/432166518.db2.gz HUIZSQQJGNEBAW-UHFFFAOYSA-N 0 3 319.493 3.391 20 30 DGEDHN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)C1 ZINC000246933741 432182625 /nfs/dbraw/zinc/18/26/25/432182625.db2.gz YXXHHWWGYXUUDG-KGLIPLIRSA-N 0 3 310.401 3.476 20 30 DGEDHN C=CCOc1ccc(CNCCOCC(F)F)cc1Cl ZINC000190902134 432199083 /nfs/dbraw/zinc/19/90/83/432199083.db2.gz ADXFVKNYBFBYSX-UHFFFAOYSA-N 0 3 305.752 3.276 20 30 DGEDHN Cc1ccc(-c2nc(CCNCc3cc(C#N)n(C)c3)co2)cc1 ZINC000190923872 432202271 /nfs/dbraw/zinc/20/22/71/432202271.db2.gz MNJFAWCVVMCWGC-UHFFFAOYSA-N 0 3 320.396 3.193 20 30 DGEDHN N#Cc1csc(CNCCNc2ccc3ccccc3n2)c1 ZINC000151156754 432225693 /nfs/dbraw/zinc/22/56/93/432225693.db2.gz BYNBEWKAQKLBLF-UHFFFAOYSA-N 0 3 308.410 3.370 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000182697220 432218622 /nfs/dbraw/zinc/21/86/22/432218622.db2.gz SDIWSYSHRZFPTK-MSOLQXFVSA-N 0 3 314.335 3.456 20 30 DGEDHN Cn1cc(CNC[C@H](O)c2ccc(C(C)(C)C)cc2)cc1C#N ZINC000191092562 432219365 /nfs/dbraw/zinc/21/93/65/432219365.db2.gz DRDLUCYCJRDZQM-SFHVURJKSA-N 0 3 311.429 3.017 20 30 DGEDHN Cc1cc([C@@](C)(O)CNC2CC(C#N)(c3ccccc3)C2)c(C)o1 ZINC000127380343 227003149 /nfs/dbraw/zinc/00/31/49/227003149.db2.gz LWORXVVECIWDLL-SYYJFZTOSA-N 0 3 324.424 3.318 20 30 DGEDHN C[C@@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 ZINC000128235816 227008571 /nfs/dbraw/zinc/00/85/71/227008571.db2.gz OKYBCHZNHLGYEA-IOJLRTSASA-N 0 3 324.399 3.247 20 30 DGEDHN C[C@@H](c1cccnc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000174864345 228294733 /nfs/dbraw/zinc/29/47/33/228294733.db2.gz FLGMRZKSEFKYFC-INIZCTEOSA-N 0 3 300.450 3.090 20 30 DGEDHN Cc1ccc(C)c(N2CCN(CCCSCC#N)CC2)c1 ZINC000164682883 228264692 /nfs/dbraw/zinc/26/46/92/228264692.db2.gz LZQZNUCPZNFXTD-UHFFFAOYSA-N 0 3 303.475 3.072 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](c2ccccc2)CC1 ZINC000171092103 228270140 /nfs/dbraw/zinc/27/01/40/228270140.db2.gz GKVVILHMOFHVBI-AEFFLSMTSA-N 0 3 313.445 3.017 20 30 DGEDHN C[C@H](CNC(=O)c1cccc(CC#N)c1)N(C)Cc1ccccc1 ZINC000171881553 228274072 /nfs/dbraw/zinc/27/40/72/228274072.db2.gz OUMFDMGITGJUKB-MRXNPFEDSA-N 0 3 321.424 3.003 20 30 DGEDHN Cc1c([C@H](C)NCCCCC#N)nnn1-c1ccc(F)cc1 ZINC000178646039 228344074 /nfs/dbraw/zinc/34/40/74/228344074.db2.gz JAWZJDBIFHISDV-LBPRGKRZSA-N 0 3 301.369 3.059 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(CC#N)c1 ZINC000179718322 228353238 /nfs/dbraw/zinc/35/32/38/228353238.db2.gz SDQFHHCQQYIYSC-MRXNPFEDSA-N 0 3 321.424 3.003 20 30 DGEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(OCC#N)cc1)CC2 ZINC000180546766 228357525 /nfs/dbraw/zinc/35/75/25/228357525.db2.gz RSODWTGMEWUOBL-IBGZPJMESA-N 0 3 308.381 3.375 20 30 DGEDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181998093 228365289 /nfs/dbraw/zinc/36/52/89/228365289.db2.gz MTZQNJNSQJJJHI-KXBFYZLASA-N 0 3 310.397 3.282 20 30 DGEDHN Nc1c(Cl)ccc(C(=O)NCCN2CCCCC2)c1Cl ZINC000330956940 229011181 /nfs/dbraw/zinc/01/11/81/229011181.db2.gz NICGHRWPVRCNQQ-UHFFFAOYSA-N 0 3 316.232 3.366 20 30 DGEDHN CCOc1nccc(C)c1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000331202773 229022438 /nfs/dbraw/zinc/02/24/38/229022438.db2.gz BRGXRKBGOUXKEC-DZGCQCFKSA-N 0 3 319.449 3.214 20 30 DGEDHN Cc1cc(C)c(NC(=O)NCCN2CCC(C)CC2)c(C)n1 ZINC000331229202 229022869 /nfs/dbraw/zinc/02/28/69/229022869.db2.gz GBCUUIFJIPQMSV-UHFFFAOYSA-N 0 3 304.438 3.065 20 30 DGEDHN Cc1cc(C)c(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c(C)n1 ZINC000331288468 229027996 /nfs/dbraw/zinc/02/79/96/229027996.db2.gz APLOOWAYIRDVHB-OAHLLOKOSA-N 0 3 318.465 3.453 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1 ZINC000332417733 229035955 /nfs/dbraw/zinc/03/59/55/229035955.db2.gz VKWCOOJWESMGCG-DYVFJYSZSA-N 0 3 315.392 3.168 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C2CC2)C1 ZINC000344020703 229133917 /nfs/dbraw/zinc/13/39/17/229133917.db2.gz PADGSVWOIZDFHD-QXCFYTAISA-N 0 3 317.477 3.038 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000348007594 229195345 /nfs/dbraw/zinc/19/53/45/229195345.db2.gz WEMAURVYVBLFRL-PKOBYXMFSA-N 0 3 315.376 3.044 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)c1ccncn1 ZINC000352307487 229250686 /nfs/dbraw/zinc/25/06/86/229250686.db2.gz SDRSHTZLMOUYPM-SECBINFHSA-N 0 3 307.140 3.029 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000357805342 229353152 /nfs/dbraw/zinc/35/31/52/229353152.db2.gz APBJAOGCNVQWTO-OAHLLOKOSA-N 0 3 319.408 3.025 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CCCCC2)c(F)c1 ZINC000412556964 230005663 /nfs/dbraw/zinc/00/56/63/230005663.db2.gz HLGGWWATROHGEF-UHFFFAOYSA-N 0 3 303.381 3.300 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc(C#N)cc1F ZINC000413166577 230143478 /nfs/dbraw/zinc/14/34/78/230143478.db2.gz GYMYKZHRFJXEGT-KSSFIOAISA-N 0 3 324.403 3.415 20 30 DGEDHN C[C@H]1C[C@H](Nc2ncc(C#N)cc2F)CN1Cc1ccccc1 ZINC000413190725 230149862 /nfs/dbraw/zinc/14/98/62/230149862.db2.gz XMHZFBWFHMTNRD-BBRMVZONSA-N 0 3 310.376 3.167 20 30 DGEDHN N#Cc1cnc(NC[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413262228 230170216 /nfs/dbraw/zinc/17/02/16/230170216.db2.gz GVSCENUMKNXZOM-OAHLLOKOSA-N 0 3 310.376 3.026 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)c1cccc(F)c1C#N ZINC000413447651 230228711 /nfs/dbraw/zinc/22/87/11/230228711.db2.gz IBNVEAPXDXMRQV-UHFFFAOYSA-N 0 3 303.406 3.327 20 30 DGEDHN CCc1nnc(N[C@@H](C)CN2CCCCCC2)c(C#N)c1CC ZINC000302442587 230247174 /nfs/dbraw/zinc/24/71/74/230247174.db2.gz RMNARXZGWVLDFM-AWEZNQCLSA-N 0 3 315.465 3.149 20 30 DGEDHN C[C@@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000497220106 269845075 /nfs/dbraw/zinc/84/50/75/269845075.db2.gz ILNSZIRUOCAWPI-RDTXWAMCSA-N 0 3 323.396 3.330 20 30 DGEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000347130352 264162461 /nfs/dbraw/zinc/16/24/61/264162461.db2.gz KAHSFGFNBUVVJN-RNCFNFMXSA-N 0 3 311.248 3.162 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cccc(C#N)c1 ZINC000347237249 264180778 /nfs/dbraw/zinc/18/07/78/264180778.db2.gz AWXQFBYZZUGVRQ-UHFFFAOYSA-N 0 3 313.445 3.142 20 30 DGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000347582423 264246293 /nfs/dbraw/zinc/24/62/93/264246293.db2.gz PRKQMYAKNJKJHI-UHFFFAOYSA-N 0 3 307.344 3.006 20 30 DGEDHN C[C@H]1CCCN1C(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347959770 264314171 /nfs/dbraw/zinc/31/41/71/264314171.db2.gz ULYCTJLONFKCJQ-INIZCTEOSA-N 0 3 323.440 3.048 20 30 DGEDHN C[C@H]1CSC[C@H]1NCc1ccc(C#N)cc1Br ZINC000352818840 265182203 /nfs/dbraw/zinc/18/22/03/265182203.db2.gz VBIQLRGPMIVENQ-TVQRCGJNSA-N 0 3 311.248 3.162 20 30 DGEDHN CCCCOCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353028938 265271604 /nfs/dbraw/zinc/27/16/04/265271604.db2.gz OUNRFWYFGNMMJN-UHFFFAOYSA-N 0 3 320.408 3.357 20 30 DGEDHN N#Cc1ccc2ncc(CNCC3(C(F)(F)F)CCC3)n2c1 ZINC000353095202 265294694 /nfs/dbraw/zinc/29/46/94/265294694.db2.gz LBXDHXLHUFMMKP-UHFFFAOYSA-N 0 3 308.307 3.028 20 30 DGEDHN COc1ccc([C@@H](CCO)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353262985 265366999 /nfs/dbraw/zinc/36/69/99/265366999.db2.gz FMWDUNRCDWSDJG-UXHICEINSA-N 0 3 322.408 3.267 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1cc(C#N)ccc1F ZINC000353143839 266046476 /nfs/dbraw/zinc/04/64/76/266046476.db2.gz UFLKRHWPLASSPJ-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CCN(CCC1CC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000355054834 266122830 /nfs/dbraw/zinc/12/28/30/266122830.db2.gz CNUHWZDXYPVZTK-LBPRGKRZSA-N 0 3 303.406 3.217 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)CCOc2ccccc2C#N)C1(C)C ZINC000354445985 266296027 /nfs/dbraw/zinc/29/60/27/266296027.db2.gz DYIXMLPWYIAFRT-DLBZAZTESA-N 0 3 302.418 3.072 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)CCOc2cccc(C#N)c2)C1(C)C ZINC000354368900 266302078 /nfs/dbraw/zinc/30/20/78/266302078.db2.gz QHNHXXBUKHVRDI-SJORKVTESA-N 0 3 302.418 3.072 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(CC)CC ZINC000361549591 266303099 /nfs/dbraw/zinc/30/30/99/266303099.db2.gz AQZCYQHUJHSPPJ-IRXDYDNUSA-N 0 3 303.450 3.312 20 30 DGEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000355821567 266363170 /nfs/dbraw/zinc/36/31/70/266363170.db2.gz SCJLRWJZAYXIMH-HUUCEWRRSA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCn1c(SC[C@H]2CCN(C)C2)nnc1-c1cccs1 ZINC000191196328 432234443 /nfs/dbraw/zinc/23/44/43/432234443.db2.gz SDHYEXHYDFZOFA-LBPRGKRZSA-N 0 3 320.487 3.236 20 30 DGEDHN COc1cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)ccc1C#N ZINC000353640029 266830626 /nfs/dbraw/zinc/83/06/26/266830626.db2.gz FWANMXKYQXJFGW-SJORKVTESA-N 0 3 302.418 3.249 20 30 DGEDHN CCN(CCOc1ccccc1C#N)Cc1ccc(OC)cc1 ZINC000497596556 267067131 /nfs/dbraw/zinc/06/71/31/267067131.db2.gz GDMDQRIWHDQZNF-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN C[C@@H]1C[C@@H](C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978107 267075022 /nfs/dbraw/zinc/07/50/22/267075022.db2.gz MRASCLXFAWXYDO-IIDMSEBBSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@@]1(CNCc2cc(C#N)cs2)OCCc2sccc21 ZINC000353215960 267117000 /nfs/dbraw/zinc/11/70/00/267117000.db2.gz FPAJJONEYHMXFE-HNNXBMFYSA-N 0 3 304.440 3.259 20 30 DGEDHN C[C@H](C1CCC1)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357035962 267144237 /nfs/dbraw/zinc/14/42/37/267144237.db2.gz JJKDIVCGXZWTAT-LLVKDONJSA-N 0 3 305.809 3.271 20 30 DGEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1cncc(F)c1 ZINC000353669471 267179761 /nfs/dbraw/zinc/17/97/61/267179761.db2.gz CMDZLCMBBDOEQD-AWEZNQCLSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000373912925 267208440 /nfs/dbraw/zinc/20/84/40/267208440.db2.gz PVSWLONUNVJEFO-DNVCBOLYSA-N 0 3 307.397 3.305 20 30 DGEDHN C[C@]1(O)CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000354033133 267264876 /nfs/dbraw/zinc/26/48/76/267264876.db2.gz IPQLPLGPKGTJDR-FQEVSTJZSA-N 0 3 322.408 3.094 20 30 DGEDHN C[C@H](CNCc1cc(C#N)n(C)c1)Oc1ccc(Cl)cc1 ZINC000191238776 432238644 /nfs/dbraw/zinc/23/86/44/432238644.db2.gz GFSFCZLLIZPRRW-GFCCVEGCSA-N 0 3 303.793 3.107 20 30 DGEDHN COc1ccc([C@H](NCCOc2ccccc2C#N)C2CC2)cn1 ZINC000528851017 267644488 /nfs/dbraw/zinc/64/44/88/267644488.db2.gz WPKYXBISDFLMKX-LJQANCHMSA-N 0 3 323.396 3.082 20 30 DGEDHN C#CCCCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000151346346 432238985 /nfs/dbraw/zinc/23/89/85/432238985.db2.gz NTALRKIMELXEBC-UHFFFAOYSA-N 0 3 309.335 3.485 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)o1 ZINC000372638063 268073586 /nfs/dbraw/zinc/07/35/86/268073586.db2.gz ZPCYRUNGYZBSOL-LBPRGKRZSA-N 0 3 317.339 3.046 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCCCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000356300121 268075363 /nfs/dbraw/zinc/07/53/63/268075363.db2.gz JCUBRUNEWMCATP-CABCVRRESA-N 0 3 312.335 3.360 20 30 DGEDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)cn1 ZINC000525886676 268128199 /nfs/dbraw/zinc/12/81/99/268128199.db2.gz PZLKYCXZSLINSN-AWEZNQCLSA-N 0 3 314.820 3.010 20 30 DGEDHN N#Cc1c(NC[C@H]2CCCCN2C2CC2)cccc1-n1cccn1 ZINC000515869845 268166619 /nfs/dbraw/zinc/16/66/19/268166619.db2.gz NHKMPDDYEDZKAD-MRXNPFEDSA-N 0 3 321.428 3.173 20 30 DGEDHN N#Cc1ccc(OCCN2CCC(Cc3cccnc3)CC2)cc1 ZINC000357045170 268173445 /nfs/dbraw/zinc/17/34/45/268173445.db2.gz VLMAAPSEAKCOQY-UHFFFAOYSA-N 0 3 321.424 3.287 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(C(N)=O)c1 ZINC000360663157 268219075 /nfs/dbraw/zinc/21/90/75/268219075.db2.gz IQRFBFVIHUAZKF-LJQANCHMSA-N 0 3 319.408 3.214 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCSCC(F)(F)F)CC2 ZINC000353265470 268223337 /nfs/dbraw/zinc/22/33/37/268223337.db2.gz YNJAUCBFYPDETR-CYBMUJFWSA-N 0 3 300.349 3.431 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@]2(CO)Cc2ccccc2)c1F ZINC000355658631 268246983 /nfs/dbraw/zinc/24/69/83/268246983.db2.gz LRKHLUXUBHKRCC-FQEVSTJZSA-N 0 3 324.399 3.267 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@]2(CO)Cc2ccccc2)c1F ZINC000355658633 268247694 /nfs/dbraw/zinc/24/76/94/268247694.db2.gz LRKHLUXUBHKRCC-HXUWFJFHSA-N 0 3 324.399 3.267 20 30 DGEDHN N#Cc1cccc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000360630150 268247949 /nfs/dbraw/zinc/24/79/49/268247949.db2.gz QNBAZBSSWCKJAN-UHFFFAOYSA-N 0 3 324.399 3.267 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367402656 268282829 /nfs/dbraw/zinc/28/28/29/268282829.db2.gz LITFUHZTBPKDRR-IRXDYDNUSA-N 0 3 314.429 3.076 20 30 DGEDHN Cc1ccccc1NC(=O)C[C@H](C)NCc1cccc(C#N)c1 ZINC000151371120 432240647 /nfs/dbraw/zinc/24/06/47/432240647.db2.gz ITHWCLDRFFDRSF-HNNXBMFYSA-N 0 3 307.397 3.374 20 30 DGEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000414219875 274086605 /nfs/dbraw/zinc/08/66/05/274086605.db2.gz HZFCVDRFAAQTRX-ZCNNSNEGSA-N 0 3 304.393 3.448 20 30 DGEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1[C@H]1CC[C@@H](C#N)C1 ZINC000339129535 274365910 /nfs/dbraw/zinc/36/59/10/274365910.db2.gz DBEJTSJXZZIIQY-NUJGCVRESA-N 0 3 320.440 3.438 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ncccc2-c2ccccc2)CC1 ZINC000272612144 275382516 /nfs/dbraw/zinc/38/25/16/275382516.db2.gz UTHJAJONPJHYJF-UHFFFAOYSA-N 0 3 319.408 3.032 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC2CCN(C3CC3)CC2)CCCC1(C)C ZINC000444886296 275434612 /nfs/dbraw/zinc/43/46/12/275434612.db2.gz OXFJKNPHRSVGHD-QGZVFWFLSA-N 0 3 319.493 3.390 20 30 DGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000329259466 275529765 /nfs/dbraw/zinc/52/97/65/275529765.db2.gz FKDCGIMMRGPFCO-GDBMZVCRSA-N 0 3 321.465 3.351 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)n(C)nc1C(C)C ZINC000280662976 275740082 /nfs/dbraw/zinc/74/00/82/275740082.db2.gz PGLVAAPRTXEVBY-DOMZBBRYSA-N 0 3 311.857 3.268 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(C3CC3)nc(C)c2OC)CC1 ZINC000521370463 429548356 /nfs/dbraw/zinc/54/83/56/429548356.db2.gz URPJGGNEYZIXFT-UHFFFAOYSA-N 0 3 316.449 3.123 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]2CCCO[C@H]21 ZINC000451483594 275889562 /nfs/dbraw/zinc/88/95/62/275889562.db2.gz YIAXTRMEKCQJJN-GVDBMIGSSA-N 0 3 303.833 3.485 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2OC)C12CCC2 ZINC000121237868 276364562 /nfs/dbraw/zinc/36/45/62/276364562.db2.gz BSHSBXUPUFNPAU-ROUUACIJSA-N 0 3 314.429 3.346 20 30 DGEDHN C=C(C)CN1CCC(Nc2nccnc2O[C@H](C)CC)CC1 ZINC000527878078 429813388 /nfs/dbraw/zinc/81/33/88/429813388.db2.gz BRCPHOQOUZNLQH-CQSZACIVSA-N 0 3 304.438 3.106 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC[C@@H](N)c2ccccc2)CCCC1(C)C ZINC000418426341 276910616 /nfs/dbraw/zinc/91/06/16/276910616.db2.gz JRCDMGWCHSIZFM-IAGOWNOFSA-N 0 3 315.461 3.463 20 30 DGEDHN CN1CC[C@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1 ZINC000272239785 277178007 /nfs/dbraw/zinc/17/80/07/277178007.db2.gz WGVWDSPINJYNDF-NHYWBVRUSA-N 0 3 309.335 3.107 20 30 DGEDHN CC(C)(CNC(=O)Nc1ccc(F)cc1C#N)N1CCCCC1 ZINC000132882351 277301871 /nfs/dbraw/zinc/30/18/71/277301871.db2.gz NLDZOMBMIICMOG-UHFFFAOYSA-N 0 3 318.396 3.083 20 30 DGEDHN CC(C)N(C)C(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000345090375 277533060 /nfs/dbraw/zinc/53/30/60/277533060.db2.gz IUQKNPFAGBEPPA-HNNXBMFYSA-N 0 3 313.445 3.198 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000192849589 277626735 /nfs/dbraw/zinc/62/67/35/277626735.db2.gz LDFKBZCKPAQZET-QWHCGFSZSA-N 0 3 308.385 3.461 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000185341694 277669436 /nfs/dbraw/zinc/66/94/36/277669436.db2.gz ZETCLUFVIJKINC-GOSISDBHSA-N 0 3 312.457 3.298 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000429792104 277770081 /nfs/dbraw/zinc/77/00/81/277770081.db2.gz UDIPYVRZGWXFHF-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C(C)(C)C)C1 ZINC000483252401 278149578 /nfs/dbraw/zinc/14/95/78/278149578.db2.gz WLZRDSVKPOYRBT-CVEARBPZSA-N 0 3 319.493 3.476 20 30 DGEDHN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000411664864 278330956 /nfs/dbraw/zinc/33/09/56/278330956.db2.gz RWPUZHJBVDPUON-GOSISDBHSA-N 0 3 306.450 3.120 20 30 DGEDHN CC(C)(C)OC(=O)N(CCN[C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000496065881 278377709 /nfs/dbraw/zinc/37/77/09/278377709.db2.gz YMALJKQRTRSWEF-UONOGXRCSA-N 0 3 309.454 3.304 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(C1)CCN(CCCC#N)CC2 ZINC000497056504 278383163 /nfs/dbraw/zinc/38/31/63/278383163.db2.gz KTKKIOKUKJBCKZ-UHFFFAOYSA-N 0 3 307.438 3.013 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000068456920 431130705 /nfs/dbraw/zinc/13/07/05/431130705.db2.gz KAEBXCZEQYCWAR-ZDUSSCGKSA-N 0 3 314.216 3.014 20 30 DGEDHN C=CC1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000111258635 431204112 /nfs/dbraw/zinc/20/41/12/431204112.db2.gz STERWQSMHXVJHH-UHFFFAOYSA-N 0 3 300.402 3.116 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2C)C(C)C)CC1 ZINC000112190336 431252003 /nfs/dbraw/zinc/25/20/03/431252003.db2.gz UQDASVQUZPOYHM-IBGZPJMESA-N 0 3 312.457 3.154 20 30 DGEDHN N#Cc1sc(N2CCC[C@@H]2CN2CCCCC2)nc1Cl ZINC000278744688 279550888 /nfs/dbraw/zinc/55/08/88/279550888.db2.gz RJDCCCRJHZGSQG-LLVKDONJSA-N 0 3 310.854 3.123 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000112699146 431298324 /nfs/dbraw/zinc/29/83/24/431298324.db2.gz QZIJEBFXIADVOE-GOSISDBHSA-N 0 3 301.434 3.078 20 30 DGEDHN COc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000072659356 431341991 /nfs/dbraw/zinc/34/19/91/431341991.db2.gz IAEFBKYXJFLSKJ-UHFFFAOYSA-N 0 3 309.413 3.335 20 30 DGEDHN CN(CCCSCC#N)Cc1ccc(OC(F)F)cc1 ZINC000074980594 431444336 /nfs/dbraw/zinc/44/43/36/431444336.db2.gz WDESNGULGVGCCF-UHFFFAOYSA-N 0 3 300.374 3.367 20 30 DGEDHN N#CCSCCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000074989733 431448274 /nfs/dbraw/zinc/44/82/74/431448274.db2.gz JGNOLWUJEUJSQC-QGZVFWFLSA-N 0 3 322.449 3.454 20 30 DGEDHN C=CC[C@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000116951761 431541034 /nfs/dbraw/zinc/54/10/34/431541034.db2.gz SPWZOMOCTFMOGN-AWEZNQCLSA-N 0 3 321.490 3.224 20 30 DGEDHN Cc1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000076342892 431543630 /nfs/dbraw/zinc/54/36/30/431543630.db2.gz XNSWGFFRDGDRAG-UHFFFAOYSA-N 0 3 313.426 3.389 20 30 DGEDHN Cc1c(Cl)cnc(N2CCC[C@H]2CN2CCCCC2)c1C#N ZINC000489893608 280234377 /nfs/dbraw/zinc/23/43/77/280234377.db2.gz CBSTZVIDIAOYHW-AWEZNQCLSA-N 0 3 318.852 3.370 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1ccccc1C ZINC000077204325 431572838 /nfs/dbraw/zinc/57/28/38/431572838.db2.gz DWWCTGQQNKOVJY-MAUKXSAKSA-N 0 3 313.445 3.140 20 30 DGEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000444681472 280262180 /nfs/dbraw/zinc/26/21/80/280262180.db2.gz ZYRSXCYPZHBTGB-CVEARBPZSA-N 0 3 305.466 3.230 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ncc([N+](=O)[O-])cc1C)C(C)C ZINC000078470434 431672496 /nfs/dbraw/zinc/67/24/96/431672496.db2.gz ZJXJKMPWJIPLAB-MRXNPFEDSA-N 0 3 318.421 3.409 20 30 DGEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000078539114 431680924 /nfs/dbraw/zinc/68/09/24/431680924.db2.gz YFADQVPZDMTXII-SJLPKXTDSA-N 0 3 313.445 3.444 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000025665641 431663402 /nfs/dbraw/zinc/66/34/02/431663402.db2.gz HPVBPPYKUHEIQV-ICSRJNTNSA-N 0 3 324.424 3.347 20 30 DGEDHN CC(C)CCO[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000083247427 431809375 /nfs/dbraw/zinc/80/93/75/431809375.db2.gz CQCBZEMBTZKPOW-GOSISDBHSA-N 0 3 302.418 3.074 20 30 DGEDHN CCN(Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1)C1CC1 ZINC000085439057 431840107 /nfs/dbraw/zinc/84/01/07/431840107.db2.gz IECHWYDEUJLJST-QGZVFWFLSA-N 0 3 313.445 3.339 20 30 DGEDHN C=CCN1CCC(NC(=O)N([C@H](C)c2ccco2)C2CC2)CC1 ZINC000086394673 431844874 /nfs/dbraw/zinc/84/48/74/431844874.db2.gz PXOWGQOFJWZFQS-CQSZACIVSA-N 0 3 317.433 3.165 20 30 DGEDHN CC(C)(C#N)c1ccc(NC(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000123258285 431859948 /nfs/dbraw/zinc/85/99/48/431859948.db2.gz FLTHARQXELDDKM-QGZVFWFLSA-N 0 3 311.429 3.301 20 30 DGEDHN C[C@@H](CCO)N(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000093304573 431914350 /nfs/dbraw/zinc/91/43/50/431914350.db2.gz KNCBUDMQGWGUPW-KRWDZBQOSA-N 0 3 311.400 3.450 20 30 DGEDHN N#Cc1csc(CNC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000093492051 431915618 /nfs/dbraw/zinc/91/56/18/431915618.db2.gz GVSIBEFONRVRTE-HNNXBMFYSA-N 0 3 301.415 3.139 20 30 DGEDHN C#CCCOc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000093864105 431918867 /nfs/dbraw/zinc/91/88/67/431918867.db2.gz FGNVEKHHOHGABS-LJQANCHMSA-N 0 3 323.440 3.332 20 30 DGEDHN C=C(C)COCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090451139 431891808 /nfs/dbraw/zinc/89/18/08/431891808.db2.gz LRCBQZMGMVWUPA-HNNXBMFYSA-N 0 3 302.418 3.057 20 30 DGEDHN C=CCOc1cccc(NC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000098026233 431976049 /nfs/dbraw/zinc/97/60/49/431976049.db2.gz OYHYVDCFDBJCLV-OAHLLOKOSA-N 0 3 317.433 3.247 20 30 DGEDHN Cc1ccc(N2CCN(CCCSCC#N)CC2)cc1C ZINC000126048706 431941030 /nfs/dbraw/zinc/94/10/30/431941030.db2.gz NMQMHUNVSYAXLB-UHFFFAOYSA-N 0 3 303.475 3.072 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCO[C@H](CC)C1)C(C)C ZINC000183217296 432270029 /nfs/dbraw/zinc/27/00/29/432270029.db2.gz VYGOERWRXKQGJY-KSZLIROESA-N 0 3 322.493 3.006 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000248356933 432281787 /nfs/dbraw/zinc/28/17/87/432281787.db2.gz OXRPNGWAPAJKSP-KKUMJFAQSA-N 0 3 306.475 3.382 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)c1 ZINC000270772176 432288080 /nfs/dbraw/zinc/28/80/80/432288080.db2.gz ADETYIOXEUVGNW-UONOGXRCSA-N 0 3 303.324 3.043 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H]2CC3(CCC3)C(=O)O2)C2CC2)cc1 ZINC000191968498 432319857 /nfs/dbraw/zinc/31/98/57/432319857.db2.gz KYSINACCVZFLIA-KRWDZBQOSA-N 0 3 310.397 3.008 20 30 DGEDHN COC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271056244 432323461 /nfs/dbraw/zinc/32/34/61/432323461.db2.gz ZTYYHBLZZDEELM-UHFFFAOYSA-N 0 3 324.428 3.075 20 30 DGEDHN C=CCC[C@H](O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105660 432333706 /nfs/dbraw/zinc/33/37/06/432333706.db2.gz FUHQQZWYFLXCEQ-VBNZEHGJSA-N 0 3 313.800 3.226 20 30 DGEDHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000271157284 432338856 /nfs/dbraw/zinc/33/88/56/432338856.db2.gz HMVJNTQPAMCLRD-UHFFFAOYSA-N 0 3 323.396 3.310 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(Cl)nc(C3CC3)n2)CC1 ZINC000271157002 432339688 /nfs/dbraw/zinc/33/96/88/432339688.db2.gz ICUXXIZOJVZOCR-UHFFFAOYSA-N 0 3 306.841 3.460 20 30 DGEDHN CC[C@H](CN(CC)[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000249410564 432346700 /nfs/dbraw/zinc/34/67/00/432346700.db2.gz FDWNLPOCOSOXNN-IAGOWNOFSA-N 0 3 315.461 3.263 20 30 DGEDHN C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C#N)cc1 ZINC000173886446 432306459 /nfs/dbraw/zinc/30/64/59/432306459.db2.gz VMWQLHSAZMHVHM-HNNXBMFYSA-N 0 3 306.413 3.404 20 30 DGEDHN C=CCOc1cccc(CN2CCC(C3(C)OCCO3)CC2)c1 ZINC000271207611 432354813 /nfs/dbraw/zinc/35/48/13/432354813.db2.gz WYDPGDFXEQNMJO-UHFFFAOYSA-N 0 3 317.429 3.226 20 30 DGEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248732179 432314818 /nfs/dbraw/zinc/31/48/18/432314818.db2.gz DHAPDKHDZQPEOS-HDMKZQKVSA-N 0 3 313.445 3.387 20 30 DGEDHN CC(C)(C#N)CCCN1CCN(CCCC(C)(C)C#N)CC1 ZINC000174807676 432371809 /nfs/dbraw/zinc/37/18/09/432371809.db2.gz ZTMVYPGKKWCDSU-UHFFFAOYSA-N 0 3 304.482 3.264 20 30 DGEDHN COc1cccc2c1CC[C@H](NCc1ccc(C#N)cc1F)C2 ZINC000192442053 432374978 /nfs/dbraw/zinc/37/49/78/432374978.db2.gz OPMRBAJFSSMAFC-INIZCTEOSA-N 0 3 310.372 3.353 20 30 DGEDHN C#CCCOc1ccc(CNC[C@](C)(O)c2cccs2)cc1 ZINC000153024068 432377350 /nfs/dbraw/zinc/37/73/50/432377350.db2.gz PFZOHIPTAKGERS-SFHVURJKSA-N 0 3 315.438 3.148 20 30 DGEDHN N#Cc1c(Cl)nsc1N1CCC(N2CCCCC2)CC1 ZINC000271354200 432379840 /nfs/dbraw/zinc/37/98/40/432379840.db2.gz TVOBIDVLLVXEKX-UHFFFAOYSA-N 0 3 310.854 3.123 20 30 DGEDHN C[C@H](C1CC1)N(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192543917 432385900 /nfs/dbraw/zinc/38/59/00/432385900.db2.gz IITYGALMFLKJLZ-AUUYWEPGSA-N 0 3 323.440 3.317 20 30 DGEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000271432584 432394124 /nfs/dbraw/zinc/39/41/24/432394124.db2.gz BKGBKSVBFOYORQ-LIRRHRJNSA-N 0 3 310.397 3.433 20 30 DGEDHN C[C@H](c1ccccc1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153285281 432397223 /nfs/dbraw/zinc/39/72/23/432397223.db2.gz XCMKABZETBOIEI-LLVKDONJSA-N 0 3 317.824 3.143 20 30 DGEDHN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(OCC#N)cc1 ZINC000271448821 432397402 /nfs/dbraw/zinc/39/74/02/432397402.db2.gz HZSQJUMZLPGHOX-DYVFJYSZSA-N 0 3 310.401 3.051 20 30 DGEDHN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(OCC#N)cc1 ZINC000271448818 432397514 /nfs/dbraw/zinc/39/75/14/432397514.db2.gz HZSQJUMZLPGHOX-CXAGYDPISA-N 0 3 310.401 3.051 20 30 DGEDHN C=CCOc1ccc(CN2CCC3(C2)CCOCC3)cc1OC ZINC000271216860 432356580 /nfs/dbraw/zinc/35/65/80/432356580.db2.gz NNGUXWXTKQTOSQ-UHFFFAOYSA-N 0 3 317.429 3.263 20 30 DGEDHN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271910377 432428659 /nfs/dbraw/zinc/42/86/59/432428659.db2.gz XUHOWQOVYRKUHU-RYUDHWBXSA-N 0 3 316.323 3.207 20 30 DGEDHN C[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(OCC#N)cc1 ZINC000192933638 432430186 /nfs/dbraw/zinc/43/01/86/432430186.db2.gz IJIPERCKFOVXHB-WMLDXEAASA-N 0 3 313.401 3.135 20 30 DGEDHN N#Cc1cc2c(nc1NC[C@@H]1NCCc3ccccc31)CCCC2 ZINC000261648654 432437038 /nfs/dbraw/zinc/43/70/38/432437038.db2.gz JJTBTOQTERFDJM-IBGZPJMESA-N 0 3 318.424 3.131 20 30 DGEDHN C=CCN1CCC(NC(=O)N([C@@H](C)[C@@H](C)CC)C2CC2)CC1 ZINC000175477618 432440782 /nfs/dbraw/zinc/44/07/82/432440782.db2.gz BLEFPLVOGWGQPU-GJZGRUSLSA-N 0 3 307.482 3.245 20 30 DGEDHN N#C[C@H]1CCC[C@H](NC[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000192812917 432418660 /nfs/dbraw/zinc/41/86/60/432418660.db2.gz NXMVYBOIUHRNAV-AEGPPILISA-N 0 3 312.335 3.108 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](CC)c1nccn1C)C(C)C ZINC000271767056 432424943 /nfs/dbraw/zinc/42/49/43/432424943.db2.gz CHLRZYBBEHZPLZ-IRXDYDNUSA-N 0 3 304.482 3.159 20 30 DGEDHN Cc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000271805481 432425075 /nfs/dbraw/zinc/42/50/75/432425075.db2.gz LEHSIXQAFSPFSC-BEFAXECRSA-N 0 3 310.397 3.282 20 30 DGEDHN Cc1cccc([C@@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271868274 432425800 /nfs/dbraw/zinc/42/58/00/432425800.db2.gz MBPISQZLFVNVNN-BEFAXECRSA-N 0 3 310.397 3.282 20 30 DGEDHN CCCN(CCO[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000185182394 432475117 /nfs/dbraw/zinc/47/51/17/432475117.db2.gz GGOCDQVGGMOGNT-GOSISDBHSA-N 0 3 302.418 3.313 20 30 DGEDHN C=CC[N@@H+](CCc1ccco1)Cc1cc(OC)c(OC)cc1[O-] ZINC000272303272 432479360 /nfs/dbraw/zinc/47/93/60/432479360.db2.gz QWFNFZXLIWMHGU-UHFFFAOYSA-N 0 3 317.385 3.233 20 30 DGEDHN C=CC[N@H+](CCc1ccco1)Cc1cc(OC)c(OC)cc1[O-] ZINC000272303272 432479362 /nfs/dbraw/zinc/47/93/62/432479362.db2.gz QWFNFZXLIWMHGU-UHFFFAOYSA-N 0 3 317.385 3.233 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cc(OC)c(OC)cc1O ZINC000272303272 432479366 /nfs/dbraw/zinc/47/93/66/432479366.db2.gz QWFNFZXLIWMHGU-UHFFFAOYSA-N 0 3 317.385 3.233 20 30 DGEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000193959534 432512484 /nfs/dbraw/zinc/51/24/84/432512484.db2.gz WCMQERMPXQVRKF-SJLPKXTDSA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000193959502 432512199 /nfs/dbraw/zinc/51/21/99/432512199.db2.gz WCMQERMPXQVRKF-AEFFLSMTSA-N 0 3 313.445 3.444 20 30 DGEDHN COc1ccc([C@H]2CCN(CCOc3ccc(C#N)cc3)C2)cc1 ZINC000155323957 432550659 /nfs/dbraw/zinc/55/06/59/432550659.db2.gz ZSJHNKCHCRTZMJ-SFHVURJKSA-N 0 3 322.408 3.435 20 30 DGEDHN COc1ccc(C(=O)Nc2cccc(CNCCCC#N)c2)cc1 ZINC000273105132 432552015 /nfs/dbraw/zinc/55/20/15/432552015.db2.gz WKIBTVIYINCKRO-UHFFFAOYSA-N 0 3 323.396 3.341 20 30 DGEDHN C=CC[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000176867659 432560476 /nfs/dbraw/zinc/56/04/76/432560476.db2.gz UMTPCXQKBQZELD-DLBZAZTESA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)(C)OC(=O)CCCNC1(c2cccc(C#N)c2)CC1 ZINC000273180976 432561772 /nfs/dbraw/zinc/56/17/72/432561772.db2.gz QCEHLICYGWKSIB-UHFFFAOYSA-N 0 3 300.402 3.259 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)NC1(c2cccc(C#N)c2)CC1 ZINC000272501158 432515084 /nfs/dbraw/zinc/51/50/84/432515084.db2.gz LLEGDYXMALKNHD-ZDUSSCGKSA-N 0 3 300.402 3.257 20 30 DGEDHN C=CCCC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000263666887 432564494 /nfs/dbraw/zinc/56/44/94/432564494.db2.gz LDCOISLYEHQKLK-KRWDZBQOSA-N 0 3 304.434 3.161 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCCCSCC#N)c1ccccc1 ZINC000272846643 432536454 /nfs/dbraw/zinc/53/64/54/432536454.db2.gz OAAJIZYMKSHVKR-INIZCTEOSA-N 0 3 320.458 3.306 20 30 DGEDHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCCC#N ZINC000273007604 432538590 /nfs/dbraw/zinc/53/85/90/432538590.db2.gz BFCIEZPXOSQYAO-UHFFFAOYSA-N 0 3 304.344 3.161 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1c(C)noc1C)C(C)C ZINC000264094330 432613876 /nfs/dbraw/zinc/61/38/76/432613876.db2.gz SVWOOJKEFUVWSH-HNNXBMFYSA-N 0 3 320.437 3.112 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c1 ZINC000273595624 432616062 /nfs/dbraw/zinc/61/60/62/432616062.db2.gz KPIMTQDMILYJRT-GUDVDZBRSA-N 0 3 317.429 3.068 20 30 DGEDHN C=CCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000263686603 432566627 /nfs/dbraw/zinc/56/66/27/432566627.db2.gz QARAULFCNUYHTG-UHFFFAOYSA-N 0 3 301.434 3.042 20 30 DGEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000273209155 432566695 /nfs/dbraw/zinc/56/66/95/432566695.db2.gz LGZHSZJBINEEAA-AWEZNQCLSA-N 0 3 317.433 3.474 20 30 DGEDHN COc1cccc(OCCCNCc2ccc(C#N)s2)c1 ZINC000176973158 432570275 /nfs/dbraw/zinc/57/02/75/432570275.db2.gz IBBPSQSDCFEAPC-UHFFFAOYSA-N 0 3 302.399 3.187 20 30 DGEDHN CCN(CC)C(=O)C1(NCc2ccc(C#N)s2)CCCCC1 ZINC000176961981 432571342 /nfs/dbraw/zinc/57/13/42/432571342.db2.gz ALGRYYQCOJCPCE-UHFFFAOYSA-N 0 3 319.474 3.281 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)OC2CCCCCC2)CC1 ZINC000155966580 432583411 /nfs/dbraw/zinc/58/34/11/432583411.db2.gz RMHUOHQZPSNROG-INIZCTEOSA-N 0 3 322.493 3.271 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000194877256 432584302 /nfs/dbraw/zinc/58/43/02/432584302.db2.gz JVHXFKORCYZMNY-GOSISDBHSA-N 0 3 318.392 3.109 20 30 DGEDHN C#CCOc1ccccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000273490418 432604575 /nfs/dbraw/zinc/60/45/75/432604575.db2.gz OCIHGAGOQXDFLY-CQSZACIVSA-N 0 3 311.381 3.264 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)C1CCN(C2CC2)CC1 ZINC000195389643 432621927 /nfs/dbraw/zinc/62/19/27/432621927.db2.gz FHEBAQDSFRITEX-UHFFFAOYSA-N 0 3 312.457 3.118 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCCC[C@H]4C3)o2)cc1 ZINC000177571157 432637469 /nfs/dbraw/zinc/63/74/69/432637469.db2.gz JDXQXJKZEGXBPX-HOTGVXAUSA-N 0 3 308.385 3.230 20 30 DGEDHN CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)N(CC)CC ZINC000274201405 432638353 /nfs/dbraw/zinc/63/83/53/432638353.db2.gz RNKXGVOTSPJTKY-SFHVURJKSA-N 0 3 313.445 3.170 20 30 DGEDHN N#Cc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177614737 432642297 /nfs/dbraw/zinc/64/22/97/432642297.db2.gz UATBTVZQHMMIRF-LJQANCHMSA-N 0 3 314.429 3.108 20 30 DGEDHN C=CCN1CCC(NC(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000264484316 432651319 /nfs/dbraw/zinc/65/13/19/432651319.db2.gz MAMIORAZKQQOAN-UHFFFAOYSA-N 0 3 316.376 3.261 20 30 DGEDHN C[C@H](NC(=O)c1cccc(CC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000187255825 432654872 /nfs/dbraw/zinc/65/48/72/432654872.db2.gz XBKBEDOIWPVMST-HNAYVOBHSA-N 0 3 321.424 3.174 20 30 DGEDHN C#CCSCCNCc1cc(-c2ccncc2)ccc1OC ZINC000187257828 432655043 /nfs/dbraw/zinc/65/50/43/432655043.db2.gz GZNVZEWGFISPCU-UHFFFAOYSA-N 0 3 312.438 3.213 20 30 DGEDHN CN(Cc1ccc(OCC#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000264549323 432657151 /nfs/dbraw/zinc/65/71/51/432657151.db2.gz KPQPMVXZSPSWHH-HXUWFJFHSA-N 0 3 322.408 3.335 20 30 DGEDHN CC[C@@H](NCCSCc1ccccc1C#N)c1cnn(C)c1 ZINC000177821105 432664887 /nfs/dbraw/zinc/66/48/87/432664887.db2.gz HZFRMXOTABKFAO-QGZVFWFLSA-N 0 3 314.458 3.266 20 30 DGEDHN C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(C#N)cc1 ZINC000159863414 432699423 /nfs/dbraw/zinc/69/94/23/432699423.db2.gz MGMHAMXAZHLHLR-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN CC[C@@H](CNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000227712602 432714168 /nfs/dbraw/zinc/71/41/68/432714168.db2.gz YYRDWHDHVZWHIJ-LBPRGKRZSA-N 0 3 309.435 3.013 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccsc2)c([O-])c1 ZINC000265704126 432724175 /nfs/dbraw/zinc/72/41/75/432724175.db2.gz LJERFJMPUSLBRF-DKFVHQPUSA-N 0 3 318.442 3.452 20 30 DGEDHN C=CCn1c(SC[C@H]2CCN(C)C2)nnc1-c1ccccc1 ZINC000187651411 432674296 /nfs/dbraw/zinc/67/42/96/432674296.db2.gz AZAGPFDBCCGQOK-AWEZNQCLSA-N 0 3 314.458 3.175 20 30 DGEDHN CCC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1CCOC ZINC000187712603 432678587 /nfs/dbraw/zinc/67/85/87/432678587.db2.gz XVEOHZWMKBWAEG-LPHOPBHVSA-N 0 3 315.461 3.052 20 30 DGEDHN CCN(CCCNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000224160701 432681430 /nfs/dbraw/zinc/68/14/30/432681430.db2.gz AAICYODBCZYZOE-UHFFFAOYSA-N 0 3 323.462 3.356 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(F)c1C#N ZINC000188647818 432737612 /nfs/dbraw/zinc/73/76/12/432737612.db2.gz LVPGDHPWFCTDQC-CYBMUJFWSA-N 0 3 318.311 3.074 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)c1cccc(CC#N)c1 ZINC000275689120 432740898 /nfs/dbraw/zinc/74/08/98/432740898.db2.gz RBXQLLPHXGBRNW-UHFFFAOYSA-N 0 3 307.397 3.109 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267310172 432830823 /nfs/dbraw/zinc/83/08/23/432830823.db2.gz BXCQIFKTAOCMEG-SOLBZPMBSA-N 0 3 315.461 3.161 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245843665 432865527 /nfs/dbraw/zinc/86/55/27/432865527.db2.gz BSUAUODRGWZFJG-ZACQAIPSSA-N 0 3 313.445 3.300 20 30 DGEDHN COc1ccccc1CN(CCO)CCCCC(C)(C)C#N ZINC000277713767 432871987 /nfs/dbraw/zinc/87/19/87/432871987.db2.gz MYGLEYQVTCVDDN-UHFFFAOYSA-N 0 3 304.434 3.210 20 30 DGEDHN C=CCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000287972174 432881297 /nfs/dbraw/zinc/88/12/97/432881297.db2.gz JPIIUWIDGBEPOC-YOEHRIQHSA-N 0 3 301.434 3.038 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1C ZINC000330054600 432891185 /nfs/dbraw/zinc/89/11/85/432891185.db2.gz SGBQMTRHNAWWSU-ZFWWWQNUSA-N 0 3 318.465 3.484 20 30 DGEDHN C[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)N1CCc2ccccc2C1 ZINC000330104013 432892985 /nfs/dbraw/zinc/89/29/85/432892985.db2.gz HHIYRYOPMBODCP-DYVFJYSZSA-N 0 3 324.428 3.190 20 30 DGEDHN COc1cc(CNCC2(OC)CCC(C)CC2)ccc1C#N ZINC000331266683 432937882 /nfs/dbraw/zinc/93/78/82/432937882.db2.gz IUILCNKHCOFNKX-UHFFFAOYSA-N 0 3 302.418 3.252 20 30 DGEDHN C#Cc1ccc(CN(CC)Cc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000289297115 432942116 /nfs/dbraw/zinc/94/21/16/432942116.db2.gz HUMCBJVUNUUVFY-UHFFFAOYSA-N 0 3 320.436 3.392 20 30 DGEDHN C#Cc1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000289359063 432948890 /nfs/dbraw/zinc/94/88/90/432948890.db2.gz NYJNRRFTQGMKCW-UHFFFAOYSA-N 0 3 324.468 3.329 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000278591971 432896873 /nfs/dbraw/zinc/89/68/73/432896873.db2.gz UCIZQUUOYSAVPZ-INIZCTEOSA-N 0 3 301.434 3.126 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000330204583 432897521 /nfs/dbraw/zinc/89/75/21/432897521.db2.gz BSXIIBLQVRKPGB-HIFRSBDPSA-N 0 3 312.772 3.224 20 30 DGEDHN CC(C)(C#N)CCNc1ccccc1CN1CCC(CO)CC1 ZINC000288806424 432898493 /nfs/dbraw/zinc/89/84/93/432898493.db2.gz ZTVCBNGYDBPSGH-UHFFFAOYSA-N 0 3 315.461 3.243 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330232309 432898974 /nfs/dbraw/zinc/89/89/74/432898974.db2.gz FJWXURKWEJCNGY-ZNMIVQPWSA-N 0 3 318.465 3.306 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330232309 432898977 /nfs/dbraw/zinc/89/89/77/432898977.db2.gz FJWXURKWEJCNGY-ZNMIVQPWSA-N 0 3 318.465 3.306 20 30 DGEDHN CC1CCN(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000330395088 432907040 /nfs/dbraw/zinc/90/70/40/432907040.db2.gz DSFQSHMDIGNJMM-UHFFFAOYSA-N 0 3 320.824 3.269 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000278869020 432910713 /nfs/dbraw/zinc/91/07/13/432910713.db2.gz WVGNWPZVXZAXQQ-UGFHNGPFSA-N 0 3 323.234 3.154 20 30 DGEDHN C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N1CCC[C@@H](C)C1 ZINC000330538985 432915718 /nfs/dbraw/zinc/91/57/18/432915718.db2.gz UPOWGVCBWVHTDL-ZIAGYGMSSA-N 0 3 306.454 3.063 20 30 DGEDHN C[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279406134 432965693 /nfs/dbraw/zinc/96/56/93/432965693.db2.gz MZMICCHGRMRJLJ-OAHLLOKOSA-N 0 3 309.417 3.091 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279751824 432990329 /nfs/dbraw/zinc/99/03/29/432990329.db2.gz QHMBDHRCFIBQIW-KXBFYZLASA-N 0 3 317.392 3.460 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000279707539 432990340 /nfs/dbraw/zinc/99/03/40/432990340.db2.gz KPHMNKXXGIVBGD-BODMPHMZSA-N 0 3 309.413 3.181 20 30 DGEDHN Cc1ccccc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279770597 432991186 /nfs/dbraw/zinc/99/11/86/432991186.db2.gz SRCPXZVIFFRNPX-CRAIPNDOSA-N 0 3 317.392 3.426 20 30 DGEDHN COc1ccc([C@@H](CN(C)C)NCc2cc(C#N)cs2)cc1 ZINC000341225909 432998160 /nfs/dbraw/zinc/99/81/60/432998160.db2.gz FTHZVOXIWRLHFB-QGZVFWFLSA-N 0 3 315.442 3.021 20 30 DGEDHN N#Cc1cccc(OC2CCN(CC3CC(F)(F)C3)CC2)c1 ZINC000297120735 432961132 /nfs/dbraw/zinc/96/11/32/432961132.db2.gz MIENNUFKQOEPGE-UHFFFAOYSA-N 0 3 306.356 3.447 20 30 DGEDHN CCC(=O)CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000297142789 432964107 /nfs/dbraw/zinc/96/41/07/432964107.db2.gz NRVIPOFHKSVUCY-UHFFFAOYSA-N 0 3 300.402 3.161 20 30 DGEDHN C=CCc1cc(CN2CC[C@@](CO)(CCC)C2)cc(OC)c1O ZINC000290223825 433017275 /nfs/dbraw/zinc/01/72/75/433017275.db2.gz SAIRTUJZGXKAID-IBGZPJMESA-N 0 3 319.445 3.114 20 30 DGEDHN CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280253827 433023955 /nfs/dbraw/zinc/02/39/55/433023955.db2.gz CCCUPYFUIZZQRB-CRAIPNDOSA-N 0 3 309.413 3.279 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(C2)CCCCC3)cc1 ZINC000280322677 433033547 /nfs/dbraw/zinc/03/35/47/433033547.db2.gz ONMCJKKCCQRJFM-KRWDZBQOSA-N 0 3 307.397 3.033 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cc(OC)c(O)c(OC)c1 ZINC000290367104 433040465 /nfs/dbraw/zinc/04/04/65/433040465.db2.gz NEBYIDDFASNAGE-UHFFFAOYSA-N 0 3 317.385 3.233 20 30 DGEDHN CC(C)(C)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O ZINC000298033270 433042695 /nfs/dbraw/zinc/04/26/95/433042695.db2.gz BZQRLGZDKYFRMK-SFHVURJKSA-N 0 3 321.424 3.215 20 30 DGEDHN COc1ccc([C@@H](CNc2cccnc2C#N)N2CCCC2)cc1 ZINC000290457110 433056650 /nfs/dbraw/zinc/05/66/50/433056650.db2.gz DXWSKTTZPZCOCC-LJQANCHMSA-N 0 3 322.412 3.211 20 30 DGEDHN Cc1cccc(CC2(O)CCN(CCC(C)(C)C#N)CC2)c1 ZINC000280551442 433080941 /nfs/dbraw/zinc/08/09/41/433080941.db2.gz QLRKKNPAJWVRPM-UHFFFAOYSA-N 0 3 300.446 3.304 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000280568427 433087967 /nfs/dbraw/zinc/08/79/67/433087967.db2.gz GMDPZBNVYTUWOV-IAQYHMDHSA-N 0 3 310.781 3.319 20 30 DGEDHN Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000298401525 433121772 /nfs/dbraw/zinc/12/17/72/433121772.db2.gz JKYQXHHQXIMPSS-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000280647162 433121930 /nfs/dbraw/zinc/12/19/30/433121930.db2.gz NTZJTBBVNGINSJ-XHDPSFHLSA-N 0 3 310.781 3.319 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453366392 433124349 /nfs/dbraw/zinc/12/43/49/433124349.db2.gz SXAUXPHYWVFKQC-BBWFWOEESA-N 0 3 302.374 3.295 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453375541 433132010 /nfs/dbraw/zinc/13/20/10/433132010.db2.gz XCONWCAEKUNINB-GDLCADMTSA-N 0 3 311.809 3.351 20 30 DGEDHN C=CCC[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453379524 433135297 /nfs/dbraw/zinc/13/52/97/433135297.db2.gz YRTTYUGPNZVARV-WBMJQRKESA-N 0 3 304.390 3.234 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(C)cn1)Cc1ccccc1 ZINC000446991282 433144405 /nfs/dbraw/zinc/14/44/05/433144405.db2.gz WJGJMWCRTCKPLT-UHFFFAOYSA-N 0 3 309.413 3.407 20 30 DGEDHN N#CCC1(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412304307 433145912 /nfs/dbraw/zinc/14/59/12/433145912.db2.gz ACWDJMWDFSULAH-UHFFFAOYSA-N 0 3 311.429 3.096 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C)[C@@H]1C ZINC000361332284 433112249 /nfs/dbraw/zinc/11/22/49/433112249.db2.gz RXHRMUHUBWBTRB-PLQZLIEUSA-N 0 3 305.466 3.036 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000280618743 433112638 /nfs/dbraw/zinc/11/26/38/433112638.db2.gz KTSXQFQIJQILQN-YJBOKZPZSA-N 0 3 305.418 3.252 20 30 DGEDHN COc1cc(CN2CC[C@H](Nc3ccccc3)C2)ccc1C#N ZINC000374204428 433178702 /nfs/dbraw/zinc/17/87/02/433178702.db2.gz JMUPWPSLPYGLKI-SFHVURJKSA-N 0 3 307.397 3.253 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)cc1F ZINC000336718111 433185765 /nfs/dbraw/zinc/18/57/65/433185765.db2.gz RAXOIXHPXXMGKJ-HNNXBMFYSA-N 0 3 311.404 3.307 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(SCC)cc2)C1=O ZINC000337196601 433212553 /nfs/dbraw/zinc/21/25/53/433212553.db2.gz XNRUATGKYJFAPR-XJKSGUPXSA-N 0 3 304.459 3.236 20 30 DGEDHN C=CCN1CC[C@H](N(C)CC2CCC(C(F)(F)F)CC2)C1=O ZINC000337234342 433214149 /nfs/dbraw/zinc/21/41/49/433214149.db2.gz XABDKVLXAIKJHC-RUXDESIVSA-N 0 3 318.383 3.074 20 30 DGEDHN COC(=O)[C@@H](CCN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000425386478 433218524 /nfs/dbraw/zinc/21/85/24/433218524.db2.gz RUSYPNQHXFXLFE-IBGZPJMESA-N 0 3 322.408 3.337 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337245287 433218610 /nfs/dbraw/zinc/21/86/10/433218610.db2.gz OEDLGXXOHXHPRO-DLBZAZTESA-N 0 3 304.409 3.242 20 30 DGEDHN CC[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000447535682 433219507 /nfs/dbraw/zinc/21/95/07/433219507.db2.gz HRQSKYFYAKKNKP-QGZVFWFLSA-N 0 3 308.385 3.290 20 30 DGEDHN C=CCC[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000420821810 433268608 /nfs/dbraw/zinc/26/86/08/433268608.db2.gz SAWKKPRWBVSEAB-QZTJIDSGSA-N 0 3 315.461 3.430 20 30 DGEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2OC)cc1 ZINC000337455303 433236768 /nfs/dbraw/zinc/23/67/68/433236768.db2.gz JBCDQPISMSTYDD-SCLBCKFNSA-N 0 3 324.380 3.069 20 30 DGEDHN CC(C)[C@H](CNc1cc(C#N)ccn1)N1CCc2ccccc2C1 ZINC000341739837 433244452 /nfs/dbraw/zinc/24/44/52/433244452.db2.gz AEONVWIVVUATLN-IBGZPJMESA-N 0 3 320.440 3.448 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000298794692 433248190 /nfs/dbraw/zinc/24/81/90/433248190.db2.gz DPRCYPXOIBKQHL-VXGBXAGGSA-N 0 3 300.328 3.231 20 30 DGEDHN CCCCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000361580652 433259217 /nfs/dbraw/zinc/25/92/17/433259217.db2.gz ZYVMEWFPPNFVRR-IAGOWNOFSA-N 0 3 303.450 3.312 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(OC)c1 ZINC000298875953 433267243 /nfs/dbraw/zinc/26/72/43/433267243.db2.gz LYIAFRCVRSLYJB-HUUCEWRRSA-N 0 3 304.434 3.159 20 30 DGEDHN C=CCc1cc(CN2CCCO[C@@H](C(C)C)C2)cc(OC)c1O ZINC000354793570 433275430 /nfs/dbraw/zinc/27/54/30/433275430.db2.gz QWBOGIPLIKUXFT-GOSISDBHSA-N 0 3 319.445 3.376 20 30 DGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000361595048 433276997 /nfs/dbraw/zinc/27/69/97/433276997.db2.gz SCPCQXHLHFYXLL-SJCJKPOMSA-N 0 3 317.820 3.416 20 30 DGEDHN CCc1nnc(NC[C@@H]2N(C)CCCC2(C)C)c(C#N)c1CC ZINC000447813077 433288194 /nfs/dbraw/zinc/28/81/94/433288194.db2.gz PXKSXCSFRROFJW-INIZCTEOSA-N 0 3 315.465 3.005 20 30 DGEDHN CN1CC[C@H]2CCN(c3ccc(C(F)(F)F)cc3C#N)[C@H]2C1 ZINC000374856498 433290707 /nfs/dbraw/zinc/29/07/07/433290707.db2.gz LIONVYIEVAOCJJ-NHYWBVRUSA-N 0 3 309.335 3.107 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425550012 433292602 /nfs/dbraw/zinc/29/26/02/433292602.db2.gz YVLPOVPJZBMJIA-QGZVFWFLSA-N 0 3 313.445 3.222 20 30 DGEDHN Cc1cccc(OC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425548250 433293278 /nfs/dbraw/zinc/29/32/78/433293278.db2.gz YFYHJEKVBGHULD-APWZRJJASA-N 0 3 324.424 3.299 20 30 DGEDHN N#Cc1cc(CN2CC3(CCC3)[C@H]2C2CCOCC2)ccc1F ZINC000425545833 433295199 /nfs/dbraw/zinc/29/51/99/433295199.db2.gz DJFHZEUGRYQDST-GOSISDBHSA-N 0 3 314.404 3.478 20 30 DGEDHN C[C@@H]1CC[C@H](N(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000447877613 433311168 /nfs/dbraw/zinc/31/11/68/433311168.db2.gz IGKKJYQBLNZLMH-FHLIZLRMSA-N 0 3 311.429 3.174 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413904535 433312631 /nfs/dbraw/zinc/31/26/31/433312631.db2.gz UFIZEDYRUUOQTA-KRWDZBQOSA-N 0 3 308.397 3.307 20 30 DGEDHN C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000281582114 433313074 /nfs/dbraw/zinc/31/30/74/433313074.db2.gz NDEVVPCVWULFIW-MAUKXSAKSA-N 0 3 321.424 3.279 20 30 DGEDHN COc1cc(CN[C@H](C)C[C@H](O)c2ccccc2)ccc1C#N ZINC000281685336 433349231 /nfs/dbraw/zinc/34/92/31/433349231.db2.gz MPGDPRYWXIRUST-KDOFPFPSSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCN(CCC(=O)Nc1cccnc1)CCc1ccccc1 ZINC000361708429 433354612 /nfs/dbraw/zinc/35/46/12/433354612.db2.gz ZFIPPRGEAPKQDP-UHFFFAOYSA-N 0 3 309.413 3.141 20 30 DGEDHN Oc1cccc(/C=N/C[C@@H](c2cccs2)N2CCCC2)c1O ZINC000299263919 433358654 /nfs/dbraw/zinc/35/86/54/433358654.db2.gz HNAOTFLZEMFXCX-BGARDKSCSA-N 0 3 316.426 3.415 20 30 DGEDHN CCOCc1ccccc1CNCc1ccc(C#N)c(OC)c1 ZINC000281619523 433327333 /nfs/dbraw/zinc/32/73/33/433327333.db2.gz HHMOBJSMPHJKMI-UHFFFAOYSA-N 0 3 310.397 3.393 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000375320002 433429552 /nfs/dbraw/zinc/42/95/52/433429552.db2.gz MNISFTAMZPIPJI-JLSDUUJJSA-N 0 3 300.402 3.121 20 30 DGEDHN N#CC(C(=O)c1ccc(COC(F)(F)F)cc1)c1ccncn1 ZINC000361792499 433392032 /nfs/dbraw/zinc/39/20/32/433392032.db2.gz NELJRFMIQUKVIT-LBPRGKRZSA-N 0 3 321.258 3.003 20 30 DGEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccc(F)c(F)c1 ZINC000281930200 433433007 /nfs/dbraw/zinc/43/30/07/433433007.db2.gz HZCAVCSAKRUXAM-UHFFFAOYSA-N 0 3 308.372 3.497 20 30 DGEDHN C[C@@H]1C[C@@H](N(C)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000339222355 433451404 /nfs/dbraw/zinc/45/14/04/433451404.db2.gz YKIACBGGBMRPPA-APWZRJJASA-N 0 3 320.440 3.443 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000448638130 433466750 /nfs/dbraw/zinc/46/67/50/433466750.db2.gz KSJCGKWNOKKCBJ-QGZVFWFLSA-N 0 3 318.461 3.407 20 30 DGEDHN CC1CCN(CCNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301266936 433479575 /nfs/dbraw/zinc/47/95/75/433479575.db2.gz GUMSBKFMAXNRCD-UHFFFAOYSA-N 0 3 312.339 3.116 20 30 DGEDHN COc1cccc(O[C@H](C)CNCc2ccc(C#N)c(F)c2)c1 ZINC000421368360 433511781 /nfs/dbraw/zinc/51/17/81/433511781.db2.gz UJKDUZHCVTVTJK-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cc(C)n(C)n1)C(C)C ZINC000282169759 433518530 /nfs/dbraw/zinc/51/85/30/433518530.db2.gz MDRKEDPDUCJKTI-FUHWJXTLSA-N 0 3 304.482 3.078 20 30 DGEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)c(F)c2)CC12CCOCC2 ZINC000421376261 433520492 /nfs/dbraw/zinc/52/04/92/433520492.db2.gz DUWVBQCGRDYYPE-KRWDZBQOSA-N 0 3 302.393 3.334 20 30 DGEDHN N#Cc1ccc(CNCCc2nc3c(s2)CCCC3)cc1F ZINC000421372654 433520573 /nfs/dbraw/zinc/52/05/73/433520573.db2.gz YPFRCRAETVFFLA-UHFFFAOYSA-N 0 3 315.417 3.365 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000426546840 433526789 /nfs/dbraw/zinc/52/67/89/433526789.db2.gz CAAWOKSSHHJNRP-GOEBONIOSA-N 0 3 303.402 3.167 20 30 DGEDHN C[C@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000414281111 433509773 /nfs/dbraw/zinc/50/97/73/433509773.db2.gz ARKLEDKVRRCSET-SWLSCSKDSA-N 0 3 316.351 3.263 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000456011700 433561485 /nfs/dbraw/zinc/56/14/85/433561485.db2.gz VFLBVBQMCIGXAD-UKRRQHHQSA-N 0 3 314.433 3.109 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C(C)C)CC1 ZINC000426725988 433571798 /nfs/dbraw/zinc/57/17/98/433571798.db2.gz GJJVBLOEVVLGKL-CRAIPNDOSA-N 0 3 307.482 3.187 20 30 DGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000362191778 433574011 /nfs/dbraw/zinc/57/40/11/433574011.db2.gz RXCPUEBYHZKDSV-DLBZAZTESA-N 0 3 309.413 3.278 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000292752635 433592319 /nfs/dbraw/zinc/59/23/19/433592319.db2.gz IEVONPVPANRUMP-QGZVFWFLSA-N 0 3 301.386 3.018 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456334146 433596652 /nfs/dbraw/zinc/59/66/52/433596652.db2.gz MALDQCBTFNWBGC-MRXNPFEDSA-N 0 3 300.446 3.179 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3C[C@H]4CCCC[C@@H]4C3)o2)c1 ZINC000426777683 433597418 /nfs/dbraw/zinc/59/74/18/433597418.db2.gz PKJHMJAJHRCQRB-HZPDHXFCSA-N 0 3 308.385 3.230 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1OC ZINC000282425100 433604989 /nfs/dbraw/zinc/60/49/89/433604989.db2.gz SWDBIOWIIRMGES-ZBFHGGJFSA-N 0 3 305.418 3.259 20 30 DGEDHN CCOc1ccccc1CN1CCN(CCCCC#N)[C@@H](C)C1 ZINC000282527549 433615842 /nfs/dbraw/zinc/61/58/42/433615842.db2.gz YTMIHIOEOOGILD-KRWDZBQOSA-N 0 3 315.461 3.285 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000362353641 433658800 /nfs/dbraw/zinc/65/88/00/433658800.db2.gz QRGVKPKXUNOZAO-GOEBONIOSA-N 0 3 310.401 3.080 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000362369003 433663823 /nfs/dbraw/zinc/66/38/23/433663823.db2.gz DRFPHICIJAAZNN-DOTOQJQBSA-N 0 3 301.434 3.006 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000362388852 433680234 /nfs/dbraw/zinc/68/02/34/433680234.db2.gz JWMLLZALXUYSAG-UHFFFAOYSA-N 0 3 316.470 3.321 20 30 DGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000356778321 433690554 /nfs/dbraw/zinc/69/05/54/433690554.db2.gz QHRWPZIBMQKPDH-CZUORRHYSA-N 0 3 308.385 3.290 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H](CC4CC4)C3)C2=O)cc1 ZINC000339674573 433720994 /nfs/dbraw/zinc/72/09/94/433720994.db2.gz AZHVZORRGCDRJN-PKOBYXMFSA-N 0 3 323.440 3.176 20 30 DGEDHN C=CCN1CCC(Nc2nc(C)nc3ccc(OC)cc32)CC1 ZINC000301799964 433727495 /nfs/dbraw/zinc/72/74/95/433727495.db2.gz BUIBRRAPWGEVJI-UHFFFAOYSA-N 0 3 312.417 3.009 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1cccc2Br ZINC000449517550 433751470 /nfs/dbraw/zinc/75/14/70/433751470.db2.gz GMOXPFMZDWCQMN-ZNMIVQPWSA-N 0 3 308.219 3.370 20 30 DGEDHN CN(C)CCN(Cc1cccc(Cl)c1)c1cccc(C#N)n1 ZINC000301859547 433760727 /nfs/dbraw/zinc/76/07/27/433760727.db2.gz SPPRYUGWNYLBRU-UHFFFAOYSA-N 0 3 314.820 3.175 20 30 DGEDHN COCC1(C#N)CCN(C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000342834438 433761106 /nfs/dbraw/zinc/76/11/06/433761106.db2.gz CGGCUSLRWGOVCM-OAHLLOKOSA-N 0 3 302.418 3.051 20 30 DGEDHN C=CCc1cc(CN[C@@H]2CCC[C@H]2OCC)cc(OC)c1O ZINC000449757059 433767917 /nfs/dbraw/zinc/76/79/17/433767917.db2.gz RAHUZJALFQWUEX-HZPDHXFCSA-N 0 3 305.418 3.177 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1nccc(C#N)c1Cl)C(C)C ZINC000429190645 433770089 /nfs/dbraw/zinc/77/00/89/433770089.db2.gz AQYBJOXMXJSACF-HNNXBMFYSA-N 0 3 318.852 3.717 20 30 DGEDHN C=C[C@@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000362591458 433778636 /nfs/dbraw/zinc/77/86/36/433778636.db2.gz IVURITVTSIGQFT-CVEARBPZSA-N 0 3 300.446 3.020 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC000421909687 433802464 /nfs/dbraw/zinc/80/24/64/433802464.db2.gz AXNXWCXZRNOLQW-YPMHNXCESA-N 0 3 321.218 3.142 20 30 DGEDHN CN(CC1CCN(c2ccncc2)CC1)c1cccc(F)c1C#N ZINC000301941820 433803826 /nfs/dbraw/zinc/80/38/26/433803826.db2.gz VAKZFIDZNLHPET-UHFFFAOYSA-N 0 3 324.403 3.445 20 30 DGEDHN COCC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000456866103 433873595 /nfs/dbraw/zinc/87/35/95/433873595.db2.gz HMTMHOIJGXGJQK-KRWDZBQOSA-N 0 3 314.429 3.082 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000376882490 433838450 /nfs/dbraw/zinc/83/84/50/433838450.db2.gz RRFBKBZNVPMSHC-SJLPKXTDSA-N 0 3 300.446 3.370 20 30 DGEDHN Cc1ccc([C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000357187202 433902147 /nfs/dbraw/zinc/90/21/47/433902147.db2.gz IUCNNTKOGCMTTD-SFHVURJKSA-N 0 3 324.384 3.490 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000285059000 433915239 /nfs/dbraw/zinc/91/52/39/433915239.db2.gz DGYYGRPTOKZCGR-IEBWSBKVSA-N 0 3 313.445 3.188 20 30 DGEDHN CSc1ccc([C@@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000293925839 433927599 /nfs/dbraw/zinc/92/75/99/433927599.db2.gz FAYIPPHJDWFSHK-QGZVFWFLSA-N 0 3 312.442 3.390 20 30 DGEDHN C=CCOc1ccc(CN2CCNCc3ccccc32)cc1OC ZINC000414851992 433883246 /nfs/dbraw/zinc/88/32/46/433883246.db2.gz VFYDSROPCVZDNU-UHFFFAOYSA-N 0 3 324.424 3.370 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](O)C23CCCC3)cc(OC)c1O ZINC000293970612 433945585 /nfs/dbraw/zinc/94/55/85/433945585.db2.gz QOFPCGQHQFJJIP-QGZVFWFLSA-N 0 3 317.429 3.009 20 30 DGEDHN OCCCCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000304748355 434016946 /nfs/dbraw/zinc/01/69/46/434016946.db2.gz ZIBHPMDTRCGLPN-UHFFFAOYSA-N 0 3 311.347 3.294 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000294169250 434022527 /nfs/dbraw/zinc/02/25/27/434022527.db2.gz OKKCADWFZYFEAT-UYAOXDASSA-N 0 3 312.457 3.291 20 30 DGEDHN CC(C)(CNCc1ccc(C#N)o1)Oc1cc(F)cc(F)c1 ZINC000285704476 434043256 /nfs/dbraw/zinc/04/32/56/434043256.db2.gz WBURJHZRLSEVNQ-UHFFFAOYSA-N 0 3 306.312 3.377 20 30 DGEDHN C[C@H]1CC[C@@H](CN2CCC(Oc3ccc(C#N)cc3F)CC2)O1 ZINC000285577470 433999821 /nfs/dbraw/zinc/99/98/21/433999821.db2.gz UWDFESFMARFGMS-BBRMVZONSA-N 0 3 318.392 3.108 20 30 DGEDHN CN(C)[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 ZINC000416226357 434061490 /nfs/dbraw/zinc/06/14/90/434061490.db2.gz UXJNFGFGQBNHRR-IRXDYDNUSA-N 0 3 313.445 3.220 20 30 DGEDHN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528390 434063040 /nfs/dbraw/zinc/06/30/40/434063040.db2.gz LPUNQWAAWMFTEB-FZMZJTMJSA-N 0 3 305.809 3.413 20 30 DGEDHN CC1=CCN(CCNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352954004 434064765 /nfs/dbraw/zinc/06/47/65/434064765.db2.gz XQDTUZOIOBTXBP-UHFFFAOYSA-N 0 3 323.362 3.319 20 30 DGEDHN N#CCCCNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000285840513 434084623 /nfs/dbraw/zinc/08/46/23/434084623.db2.gz HNTUJYFWIOYYFA-UHFFFAOYSA-N 0 3 308.307 3.284 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC(=O)c2ccccc21 ZINC000416202948 434056388 /nfs/dbraw/zinc/05/63/88/434056388.db2.gz WSDVTSWFIZSBMT-YJBOKZPZSA-N 0 3 318.376 3.203 20 30 DGEDHN C#CCCOc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000294388025 434109397 /nfs/dbraw/zinc/10/93/97/434109397.db2.gz NYSVRLOKORZTQH-UHFFFAOYSA-N 0 3 322.408 3.403 20 30 DGEDHN CCN1CCCC[C@@H]1CNc1ncc(Br)cc1C#N ZINC000450336899 434109534 /nfs/dbraw/zinc/10/95/34/434109534.db2.gz SOFYNSUHCUNINC-CYBMUJFWSA-N 0 3 323.238 3.002 20 30 DGEDHN CC(C)(C)CCN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000340405405 434112350 /nfs/dbraw/zinc/11/23/50/434112350.db2.gz RQZNBMWHWYGPNG-UHFFFAOYSA-N 0 3 303.425 3.251 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294488043 434114318 /nfs/dbraw/zinc/11/43/18/434114318.db2.gz QQRRIXXQKZEPMW-RDJZCZTQSA-N 0 3 319.474 3.067 20 30 DGEDHN C[C@@H](NCCOCCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000294559146 434119954 /nfs/dbraw/zinc/11/99/54/434119954.db2.gz LILWSNMGILPSRM-CYBMUJFWSA-N 0 3 306.381 3.195 20 30 DGEDHN C=CCCOCCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294540388 434120942 /nfs/dbraw/zinc/12/09/42/434120942.db2.gz AJKXNLFANHTADE-HNNXBMFYSA-N 0 3 318.417 3.277 20 30 DGEDHN CCC[C@@H](CNCc1ccc(OC)c(OCCCC#N)c1)OC ZINC000294686144 434126518 /nfs/dbraw/zinc/12/65/18/434126518.db2.gz BNUPRFXPNJSLMN-INIZCTEOSA-N 0 3 320.433 3.282 20 30 DGEDHN N#Cc1ccc(OCCN2CC[C@H](COc3ccccc3)C2)cc1 ZINC000505890055 294258317 /nfs/dbraw/zinc/25/83/17/294258317.db2.gz MTKRQKDNVFTJTA-SFHVURJKSA-N 0 3 322.408 3.338 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294870704 434150926 /nfs/dbraw/zinc/15/09/26/434150926.db2.gz OKYRDVGAXDSAGF-KRWDZBQOSA-N 0 3 318.486 3.321 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314903231 434154021 /nfs/dbraw/zinc/15/40/21/434154021.db2.gz SUYYERPNBMLMJV-CQSZACIVSA-N 0 3 306.372 3.486 20 30 DGEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000357754166 434165085 /nfs/dbraw/zinc/16/50/85/434165085.db2.gz YTQGYUDPIGNJPJ-DLBZAZTESA-N 0 3 313.445 3.444 20 30 DGEDHN N#Cc1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000379880450 434263982 /nfs/dbraw/zinc/26/39/82/434263982.db2.gz UQKQBZVOFDTEFX-MRXNPFEDSA-N 0 3 322.368 3.153 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423182939 434265353 /nfs/dbraw/zinc/26/53/53/434265353.db2.gz KNBKLIYHJDDLLR-QGZVFWFLSA-N 0 3 316.445 3.165 20 30 DGEDHN Cc1nc2c(cccc2C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000347586474 434269659 /nfs/dbraw/zinc/26/96/59/434269659.db2.gz GSWZROMONXFAEX-ZDUSSCGKSA-N 0 3 306.325 3.033 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(F)cc(Br)c1 ZINC000320314534 434236405 /nfs/dbraw/zinc/23/64/05/434236405.db2.gz VWOAHHOSGPDOSG-CYBMUJFWSA-N 0 3 302.187 3.005 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)NC(C)(C)c1cccs1 ZINC000348311384 434289327 /nfs/dbraw/zinc/28/93/27/434289327.db2.gz BUIFNCYJOMPARQ-BLLLJJGKSA-N 0 3 307.463 3.016 20 30 DGEDHN COc1ccc(C2CCN(Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000365254928 434295384 /nfs/dbraw/zinc/29/53/84/434295384.db2.gz JAQNKEXLZFMTNZ-UHFFFAOYSA-N 0 3 309.413 3.285 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000437584075 434296211 /nfs/dbraw/zinc/29/62/11/434296211.db2.gz QRWGRBSRFVYBAE-SJLPKXTDSA-N 0 3 302.418 3.202 20 30 DGEDHN Cc1ncc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)[nH]1 ZINC000328745314 434303866 /nfs/dbraw/zinc/30/38/66/434303866.db2.gz ABVJLXDXGFEHFO-WFASDCNBSA-N 0 3 318.446 3.167 20 30 DGEDHN C[C@@H](NC(=O)[C@@H]1CC=CCC1)C(=O)NCCN1CCCCC1 ZINC000328750108 434306226 /nfs/dbraw/zinc/30/62/26/434306226.db2.gz BVTZBYAVUMPFJY-HUUCEWRRSA-N 0 3 307.438 3.130 20 30 DGEDHN CC(C)(O)c1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000295313425 434306534 /nfs/dbraw/zinc/30/65/34/434306534.db2.gz GDBYOULUYXUALD-UHFFFAOYSA-N 0 3 310.397 3.106 20 30 DGEDHN C[C@H](C1CCCCC1)N(C)C([O-])=[NH+]C[C@H]1CCc2nccn2C1 ZINC000328746766 434306617 /nfs/dbraw/zinc/30/66/17/434306617.db2.gz PWPPFUNFGHDAMA-HUUCEWRRSA-N 0 3 318.465 3.260 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1 ZINC000328766131 434309372 /nfs/dbraw/zinc/30/93/72/434309372.db2.gz PJQKCAOUKLDCTL-WOPDTQHZSA-N 0 3 312.339 3.300 20 30 DGEDHN Cc1ccc(NC(=O)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)nc1 ZINC000328828106 434317566 /nfs/dbraw/zinc/31/75/66/434317566.db2.gz JTLJHXZRKIECRC-ZBFHGGJFSA-N 0 3 312.417 3.382 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](O)CC(C)(C)C2)cc(OC)c1O ZINC000295346164 434321040 /nfs/dbraw/zinc/32/10/40/434321040.db2.gz YPNDAXGRLWMRIN-MRXNPFEDSA-N 0 3 319.445 3.112 20 30 DGEDHN O=C(CN1CCC[C@@H]1C1CCC1)Nc1ccc2c(c1)OCO2 ZINC000328910323 434330273 /nfs/dbraw/zinc/33/02/73/434330273.db2.gz FNOVVSSADNHXOM-CQSZACIVSA-N 0 3 302.374 3.268 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364673089 434278069 /nfs/dbraw/zinc/27/80/69/434278069.db2.gz LMHUCOPBMNFHEL-SZMVWBNQSA-N 0 3 315.461 3.135 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000329177713 434371709 /nfs/dbraw/zinc/37/17/09/434371709.db2.gz CJDRVHOUNJLWKV-JSGCOSHPSA-N 0 3 323.462 3.174 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC000329220344 434373286 /nfs/dbraw/zinc/37/32/86/434373286.db2.gz TUDYRQWDOOCXJB-AWEZNQCLSA-N 0 3 301.390 3.315 20 30 DGEDHN Cc1nncn1-c1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000329209749 434374342 /nfs/dbraw/zinc/37/43/42/434374342.db2.gz YOOIRBBMYIFGEC-BETUJISGSA-N 0 3 313.405 3.037 20 30 DGEDHN O=C(CCc1ncc[nH]1)NCCN1CCC2(CCCCC2)CC1 ZINC000329268006 434381954 /nfs/dbraw/zinc/38/19/54/434381954.db2.gz DMRLYTQINIGHQE-UHFFFAOYSA-N 0 3 318.465 3.345 20 30 DGEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C3CCCC3)C2)c1C#N ZINC000329625301 434446983 /nfs/dbraw/zinc/44/69/83/434446983.db2.gz GJXJXUGVHJLKDR-LBPRGKRZSA-N 0 3 304.825 3.344 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC000329392590 434406167 /nfs/dbraw/zinc/40/61/67/434406167.db2.gz VWKCHARSEOJKJB-CQSZACIVSA-N 0 3 300.406 3.050 20 30 DGEDHN C[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(F)(F)F ZINC000359129537 434411602 /nfs/dbraw/zinc/41/16/02/434411602.db2.gz KUNTYXRVJIVEKF-NSHDSACASA-N 0 3 322.334 3.247 20 30 DGEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287619169 434413588 /nfs/dbraw/zinc/41/35/88/434413588.db2.gz JSYOMGZENRDTLP-DZGCQCFKSA-N 0 3 315.335 3.451 20 30 DGEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287619201 434413867 /nfs/dbraw/zinc/41/38/67/434413867.db2.gz JSYOMGZENRDTLP-ZFWWWQNUSA-N 0 3 315.335 3.451 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000295563765 434417362 /nfs/dbraw/zinc/41/73/62/434417362.db2.gz YCMHUMLDJVHQMB-LIRRHRJNSA-N 0 3 313.445 3.269 20 30 DGEDHN C=CCC[C@H](NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccco1 ZINC000287643621 434420110 /nfs/dbraw/zinc/42/01/10/434420110.db2.gz URMMJIJDTQRGAK-RYRKJORJSA-N 0 3 319.445 3.444 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359761953 434426889 /nfs/dbraw/zinc/42/68/89/434426889.db2.gz DXPUDHQLYKLHTH-AUUYWEPGSA-N 0 3 319.408 3.107 20 30 DGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccs1 ZINC000329649912 434453052 /nfs/dbraw/zinc/45/30/52/434453052.db2.gz FNQYVEYXJSCSGI-TYNCELHUSA-N 0 3 321.446 3.206 20 30 DGEDHN CCOc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000359963149 434453187 /nfs/dbraw/zinc/45/31/87/434453187.db2.gz JKZUMYJEHGJFCB-ZDUSSCGKSA-N 0 3 313.401 3.155 20 30 DGEDHN CCOC(=O)C(C)(C)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000348712123 434456774 /nfs/dbraw/zinc/45/67/74/434456774.db2.gz STXWXPQSDMPREE-UHFFFAOYSA-N 0 3 320.458 3.421 20 30 DGEDHN C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000353825797 434458184 /nfs/dbraw/zinc/45/81/84/434458184.db2.gz OYVPQSFCRISAHY-PEBXRYMYSA-N 0 3 312.438 3.288 20 30 DGEDHN CN(C(=O)[C@H]1CCN(Cc2cccc(C#N)c2)C1)c1ccccc1 ZINC000366792990 434510363 /nfs/dbraw/zinc/51/03/63/434510363.db2.gz UKRPQYMVODXMCR-SFHVURJKSA-N 0 3 319.408 3.043 20 30 DGEDHN C=CCOc1ccc(CN2CCC3(CCO3)CC2)cc1OC ZINC000367091184 434539006 /nfs/dbraw/zinc/53/90/06/434539006.db2.gz HKSGIWPOOQJYFS-UHFFFAOYSA-N 0 3 303.402 3.015 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccccc1F ZINC000348894222 434544968 /nfs/dbraw/zinc/54/49/68/434544968.db2.gz NWEKACGBYPNPCX-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN CCc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000348893247 434546209 /nfs/dbraw/zinc/54/62/09/434546209.db2.gz KYHRMAIVEVEFCR-UHFFFAOYSA-N 0 3 311.429 3.277 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1 ZINC000417906659 434546556 /nfs/dbraw/zinc/54/65/56/434546556.db2.gz COBNHMMEDRVJHD-INMHGKMJSA-N 0 3 301.434 3.086 20 30 DGEDHN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN(C2CC2)C1 ZINC000451092644 434558091 /nfs/dbraw/zinc/55/80/91/434558091.db2.gz MQLMGAKKCNVYMR-ZDUSSCGKSA-N 0 3 303.837 3.128 20 30 DGEDHN O[C@@H]1CCC[C@H]1[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000451429445 434570130 /nfs/dbraw/zinc/57/01/30/434570130.db2.gz XIFJTISJNVEKGR-RCCFBDPRSA-N 0 3 303.833 3.317 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 ZINC000368912925 434585967 /nfs/dbraw/zinc/58/59/67/434585967.db2.gz FWFQJHPVRDDJGV-LJQANCHMSA-N 0 3 316.408 3.141 20 30 DGEDHN N#CCc1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc1 ZINC000369351435 434593515 /nfs/dbraw/zinc/59/35/15/434593515.db2.gz CRIVOLPUERSTCI-SFHVURJKSA-N 0 3 311.429 3.488 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439334937 434595324 /nfs/dbraw/zinc/59/53/24/434595324.db2.gz XLZRIUASAOPZHF-PKOBYXMFSA-N 0 3 312.457 3.455 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000369462069 434595531 /nfs/dbraw/zinc/59/55/31/434595531.db2.gz HZEPPHDOELXQBH-HNAYVOBHSA-N 0 3 323.396 3.026 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000424087766 434619628 /nfs/dbraw/zinc/61/96/28/434619628.db2.gz INXZHFWUUHEJFE-SFHVURJKSA-N 0 3 323.396 3.116 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000424112296 434624117 /nfs/dbraw/zinc/62/41/17/434624117.db2.gz JCYDMSBIWDLQIL-AWEZNQCLSA-N 0 3 315.392 3.005 20 30 DGEDHN CCC[C@H]1CCc2nc(NC(=O)[C@H](N)CCCC#N)sc2C1 ZINC000424113201 434624714 /nfs/dbraw/zinc/62/47/14/434624714.db2.gz MIVISFYKEXTOHQ-NWDGAFQWSA-N 0 3 320.462 3.008 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459591026 434625003 /nfs/dbraw/zinc/62/50/03/434625003.db2.gz ZIJRNZSKDFXELZ-UYTYNIKBSA-N 0 3 319.470 3.258 20 30 DGEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000424123211 434628422 /nfs/dbraw/zinc/62/84/22/434628422.db2.gz KKRDPNORGPZHRI-GJZGRUSLSA-N 0 3 307.825 3.174 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000424120739 434628781 /nfs/dbraw/zinc/62/87/81/434628781.db2.gz GXOWEKUNWMSGET-IRXDYDNUSA-N 0 3 317.408 3.194 20 30 DGEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](N)CCCC#N ZINC000424126011 434631474 /nfs/dbraw/zinc/63/14/74/434631474.db2.gz OKNIVJZNYLIFFV-QZTJIDSGSA-N 0 3 315.461 3.186 20 30 DGEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424134161 434633204 /nfs/dbraw/zinc/63/32/04/434633204.db2.gz YAWLZDHKZMDODT-BZSNNMDCSA-N 0 3 313.445 3.111 20 30 DGEDHN CCSc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424145806 434637171 /nfs/dbraw/zinc/63/71/71/434637171.db2.gz VJPLSFLDXBZIDM-NSHDSACASA-N 0 3 311.838 3.412 20 30 DGEDHN C=CCN1CC[C@@H](N(CCC)[C@@H]2CCc3ccccc3C2)C1=O ZINC000410342521 434642367 /nfs/dbraw/zinc/64/23/67/434642367.db2.gz KVPYCUGGHNHCOM-RTBURBONSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(F)cc2)C(C)(C)C)C1=O ZINC000410425900 434644162 /nfs/dbraw/zinc/64/41/62/434644162.db2.gz LVIWPAGBRCUWOV-HZPDHXFCSA-N 0 3 304.409 3.289 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@H]2SC)cc1 ZINC000459536790 434600932 /nfs/dbraw/zinc/60/09/32/434600932.db2.gz BXFXYPOTCHTCPG-ZACQAIPSSA-N 0 3 307.459 3.250 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)[C@H]1SC ZINC000418148057 434604779 /nfs/dbraw/zinc/60/47/79/434604779.db2.gz SKXBQMQZYPGHKH-WNRNVDISSA-N 0 3 316.470 3.434 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418151898 434607431 /nfs/dbraw/zinc/60/74/31/434607431.db2.gz UAJMGLOQTZWLEC-SJORKVTESA-N 0 3 303.450 3.464 20 30 DGEDHN CC(C(=O)Nc1ccc(Br)c(C#N)c1)C(F)(F)F ZINC000410974695 434691830 /nfs/dbraw/zinc/69/18/30/434691830.db2.gz XZPMKIAWTJQJIO-LURJTMIESA-N 0 3 321.096 3.458 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)C1(c2ccccc2)CCCC1 ZINC000424196531 434652148 /nfs/dbraw/zinc/65/21/48/434652148.db2.gz ZXQRDOURZMJGFS-NVXWUHKLSA-N 0 3 313.445 3.024 20 30 DGEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424191459 434652831 /nfs/dbraw/zinc/65/28/31/434652831.db2.gz HMQCYTGSTLNNBU-GOEBONIOSA-N 0 3 312.392 3.410 20 30 DGEDHN N#CCc1ccc(NC(=O)C2CCN(C3CC3)CC2)c(Cl)c1 ZINC000452648356 434669283 /nfs/dbraw/zinc/66/92/83/434669283.db2.gz IECWLAJDORCXKT-UHFFFAOYSA-N 0 3 317.820 3.219 20 30 DGEDHN C[C@H](CN(C)C)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000349324556 434673433 /nfs/dbraw/zinc/67/34/33/434673433.db2.gz DRCYMDYXLLDSTE-CHWSQXEVSA-N 0 3 320.462 3.152 20 30 DGEDHN CC[C@H](CN(CC)CC(=O)N(CC)CCC#N)c1ccccc1 ZINC000360740885 434680257 /nfs/dbraw/zinc/68/02/57/434680257.db2.gz XMHYYZDQXNJYFH-QGZVFWFLSA-N 0 3 315.461 3.264 20 30 DGEDHN C=CCn1cc(CN[C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)nn1 ZINC000424290902 434680263 /nfs/dbraw/zinc/68/02/63/434680263.db2.gz CKMXKVBEMOCMNN-KGYLQXTDSA-N 0 3 322.865 3.461 20 30 DGEDHN C=CCn1cc(CN[C@@H](Cc2ccccc2Cl)C2CC2)nn1 ZINC000424296663 434684234 /nfs/dbraw/zinc/68/42/34/434684234.db2.gz PEEYCCCQBRAQGQ-KRWDZBQOSA-N 0 3 316.836 3.228 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@H](OC)C23CCC3)cc1OC ZINC000459734392 434685129 /nfs/dbraw/zinc/68/51/29/434685129.db2.gz HBRWWZOWKSAFEA-ROUUACIJSA-N 0 3 317.429 3.307 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411254188 434752069 /nfs/dbraw/zinc/75/20/69/434752069.db2.gz FGLXHKPTGZMPEK-OAHLLOKOSA-N 0 3 303.450 3.006 20 30 DGEDHN CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424337594 434702278 /nfs/dbraw/zinc/70/22/78/434702278.db2.gz ZPLBGNIAKHEBJU-BFHYXJOUSA-N 0 3 316.401 3.424 20 30 DGEDHN C=CC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000452775894 434711790 /nfs/dbraw/zinc/71/17/90/434711790.db2.gz JIBFMVROTVRLDZ-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000459779080 434716534 /nfs/dbraw/zinc/71/65/34/434716534.db2.gz WVUYKFSISOVUEI-CABCVRRESA-N 0 3 322.355 3.207 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000440620747 434725567 /nfs/dbraw/zinc/72/55/67/434725567.db2.gz GYNHZJKIBFQSSO-RHSMWYFYSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN1CCC(Nc2ncnc3ccc(SC)cc32)CC1 ZINC000360909791 434729668 /nfs/dbraw/zinc/72/96/68/434729668.db2.gz LUCUDHSOYRLCIU-UHFFFAOYSA-N 0 3 314.458 3.414 20 30 DGEDHN CC[C@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)[C@@H]1CC1(C)C ZINC000419314657 434769819 /nfs/dbraw/zinc/76/98/19/434769819.db2.gz IFKMPCDGXZMTLF-KBPBESRZSA-N 0 3 303.406 3.121 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419329722 434773376 /nfs/dbraw/zinc/77/33/76/434773376.db2.gz BJZIVWFGQZYGED-HUUCEWRRSA-N 0 3 313.445 3.223 20 30 DGEDHN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C2CC2)cc1 ZINC000419354969 434775925 /nfs/dbraw/zinc/77/59/25/434775925.db2.gz MNMLYTDWIZSYSH-YJYMSZOUSA-N 0 3 311.429 3.023 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1cccnc1 ZINC000361106803 434797329 /nfs/dbraw/zinc/79/73/29/434797329.db2.gz PEHLNRPBGBKATC-UHFFFAOYSA-N 0 3 308.385 3.295 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1c(C)cccc1Cl ZINC000411647908 434812345 /nfs/dbraw/zinc/81/23/45/434812345.db2.gz ZCZSPSRBRSZXJQ-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1coc(-c2cccc(F)c2)n1 ZINC000411640399 434813530 /nfs/dbraw/zinc/81/35/30/434813530.db2.gz KMMCOKYYBXBNLZ-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2)c2ccccc21 ZINC000372298538 434820870 /nfs/dbraw/zinc/82/08/70/434820870.db2.gz PFCJQKODDIUQPO-SFHVURJKSA-N 0 3 305.381 3.146 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000411774061 434828201 /nfs/dbraw/zinc/82/82/01/434828201.db2.gz WRYYAWVLGVDJDP-RYUDHWBXSA-N 0 3 314.355 3.311 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000411876977 434839585 /nfs/dbraw/zinc/83/95/85/434839585.db2.gz BUHRQEUDGYRQQF-LESCRADOSA-N 0 3 301.434 3.170 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054947 434863681 /nfs/dbraw/zinc/86/36/81/434863681.db2.gz JXAHZXPIAAOOFM-YJBOKZPZSA-N 0 3 311.429 3.096 20 30 DGEDHN CSc1ccccc1OC[C@H](O)CN(CCCC#N)C(C)C ZINC000411989796 434852456 /nfs/dbraw/zinc/85/24/56/434852456.db2.gz UWJSHRQNPWIXOT-OAHLLOKOSA-N 0 3 322.474 3.162 20 30 DGEDHN C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000553230967 434883929 /nfs/dbraw/zinc/88/39/29/434883929.db2.gz LCWWMNXUPHNCCJ-PXAZEXFGSA-N 0 3 314.820 3.710 20 30 DGEDHN N#CCC[C@H](C#N)CN[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000573318125 434888568 /nfs/dbraw/zinc/88/85/68/434888568.db2.gz GSLJRBWFHMWDDS-COXVUDFISA-N 0 3 301.365 3.079 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000492055779 434906889 /nfs/dbraw/zinc/90/68/89/434906889.db2.gz FEKKJTDLUIBHEE-FNORWQNLSA-N 0 3 322.861 3.019 20 30 DGEDHN C[C@@H]1[C@H](CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000412071232 434864249 /nfs/dbraw/zinc/86/42/49/434864249.db2.gz GQGYJMVLGLEFOM-HIFRSBDPSA-N 0 3 311.347 3.150 20 30 DGEDHN C#C[C@@H](NCc1ccc(OCc2noc(C)n2)cc1)C(C)(C)C ZINC000491820210 434866550 /nfs/dbraw/zinc/86/65/50/434866550.db2.gz QKHQMXSYTDARJG-MRXNPFEDSA-N 0 3 313.401 3.095 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)c(SC)c2)CC1 ZINC000491816995 434866630 /nfs/dbraw/zinc/86/66/30/434866630.db2.gz UBTMIWXBSHQVIH-UHFFFAOYSA-N 0 3 322.861 3.346 20 30 DGEDHN CN(C)C/C=C\C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000491847242 434870496 /nfs/dbraw/zinc/87/04/96/434870496.db2.gz MEKKILKTQDRGAX-DAXSKMNVSA-N 0 3 321.380 3.407 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000573930835 434937299 /nfs/dbraw/zinc/93/72/99/434937299.db2.gz DGCDYSGZNOGDMV-SJORKVTESA-N 0 3 320.440 3.048 20 30 DGEDHN Cc1cc(CN[C@@H]2CCN(c3ccccc3F)C2)ccc1C#N ZINC000492176977 434931059 /nfs/dbraw/zinc/93/10/59/434931059.db2.gz WFOAVRASGQFCPE-QGZVFWFLSA-N 0 3 309.388 3.374 20 30 DGEDHN CC(C)(C)c1ncc2c(n1)CCN(CCCC(C)(C)C#N)C2 ZINC000528590687 435026534 /nfs/dbraw/zinc/02/65/34/435026534.db2.gz FWRNTQAEWQNPTF-UHFFFAOYSA-N 0 3 300.450 3.462 20 30 DGEDHN CC(C)[C@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000528637618 435027073 /nfs/dbraw/zinc/02/70/73/435027073.db2.gz GUSGBQLDMDXDFE-WOJBJXKFSA-N 0 3 324.472 3.272 20 30 DGEDHN C[C@@H]1CC(F)(F)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000528772581 435029012 /nfs/dbraw/zinc/02/90/12/435029012.db2.gz YPBOJDLSZJVDMI-GFCCVEGCSA-N 0 3 307.344 3.006 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@H]2CCCCN2C1=O ZINC000574525441 434985532 /nfs/dbraw/zinc/98/55/32/434985532.db2.gz WGXBQYGKJNYSCY-NEWSRXKRSA-N 0 3 323.440 3.069 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ccsc3c2)nc(C)n1 ZINC000524760468 434990030 /nfs/dbraw/zinc/99/00/30/434990030.db2.gz RKQSGDDSKMPYHC-LBPRGKRZSA-N 0 3 308.366 3.193 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC(CC)(CC)C1 ZINC000464584254 434993638 /nfs/dbraw/zinc/99/36/38/434993638.db2.gz IEEPPXYALAUUAR-OAHLLOKOSA-N 0 3 310.507 3.183 20 30 DGEDHN CC#CCN(C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000525110995 435004161 /nfs/dbraw/zinc/00/41/61/435004161.db2.gz BCRSYYUZPWBTRV-GOSISDBHSA-N 0 3 311.425 3.313 20 30 DGEDHN N#CC1(NC(=O)CN2CCC[C@@H]2CCC2CCCCC2)CCC1 ZINC000527128038 435009931 /nfs/dbraw/zinc/00/99/31/435009931.db2.gz AOHRQVVXNXOASK-QGZVFWFLSA-N 0 3 317.477 3.374 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000577325443 435059748 /nfs/dbraw/zinc/05/97/48/435059748.db2.gz DBRCHKFSOQHGDZ-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(F)c(F)c2)CC1 ZINC000492924929 435075289 /nfs/dbraw/zinc/07/52/89/435075289.db2.gz NNZLZZANSHAERR-XQRVVYSFSA-N 0 3 320.383 3.135 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000492695285 435035892 /nfs/dbraw/zinc/03/58/92/435035892.db2.gz HLSVDWIZJFNTDU-GJZGRUSLSA-N 0 3 309.454 3.258 20 30 DGEDHN COCc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1C#N ZINC000529816437 435040738 /nfs/dbraw/zinc/04/07/38/435040738.db2.gz MDJQFNSUTQFCAO-UHFFFAOYSA-N 0 3 323.396 3.019 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000575980533 435052581 /nfs/dbraw/zinc/05/25/81/435052581.db2.gz GGAPUOLAFPFSQW-CYBMUJFWSA-N 0 3 306.372 3.342 20 30 DGEDHN C=CCCCCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000576477685 435056303 /nfs/dbraw/zinc/05/63/03/435056303.db2.gz ZDHQAPYKWBXCHZ-IXDOHACOSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H](C)c2c(C)cc(C)cc2C)C1=O ZINC000532217125 435147196 /nfs/dbraw/zinc/14/71/96/435147196.db2.gz LTADEDPUZLQKAZ-SJORKVTESA-N 0 3 300.446 3.392 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000466763872 435092935 /nfs/dbraw/zinc/09/29/35/435092935.db2.gz KVQOCLFEDXTIGY-SFHVURJKSA-N 0 3 317.477 3.361 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000467109537 435108829 /nfs/dbraw/zinc/10/88/29/435108829.db2.gz IACKLVWMAHZFFW-GOSISDBHSA-N 0 3 315.461 3.349 20 30 DGEDHN N#CCC1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000558854212 435113343 /nfs/dbraw/zinc/11/33/43/435113343.db2.gz WAXKDKPPHWOQNL-UHFFFAOYSA-N 0 3 311.429 3.048 20 30 DGEDHN FC(F)(F)c1ccc(C#CCNCCC2CCOCC2)cc1 ZINC000638897276 435115212 /nfs/dbraw/zinc/11/52/12/435115212.db2.gz FJESVKBELNIGKV-UHFFFAOYSA-N 0 3 311.347 3.463 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000493199976 435124593 /nfs/dbraw/zinc/12/45/93/435124593.db2.gz ICNFTYYULBGESE-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN C=CCCCCNCc1snc(OC)c1Br ZINC000639056951 435139554 /nfs/dbraw/zinc/13/95/54/435139554.db2.gz UUKGMHAZBYERJB-UHFFFAOYSA-N 0 3 305.241 3.360 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC2(CC2)C1)C(C)C ZINC000473885602 435144624 /nfs/dbraw/zinc/14/46/24/435144624.db2.gz NRJWFNMTZMNROR-QGZVFWFLSA-N 0 3 319.493 3.271 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](NC1(c3cccc(C#N)c3)CC1)CO2 ZINC000579918107 435191674 /nfs/dbraw/zinc/19/16/74/435191674.db2.gz SYQASDSNUHVLPB-QGZVFWFLSA-N 0 3 320.392 3.149 20 30 DGEDHN C[C@@H]1C[C@H](C)N(CCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495896076 435205106 /nfs/dbraw/zinc/20/51/06/435205106.db2.gz IUKFVPMYKQKSOI-ILXRZTDVSA-N 0 3 309.454 3.161 20 30 DGEDHN C[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000579552753 435162976 /nfs/dbraw/zinc/16/29/76/435162976.db2.gz DXQIPKFAPQYARE-IIDMSEBBSA-N 0 3 311.429 3.174 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H]2Cc2ccccc2)c1 ZINC000532646922 435181974 /nfs/dbraw/zinc/18/19/74/435181974.db2.gz IRNAHJQIBMHUNL-LJQANCHMSA-N 0 3 319.408 3.204 20 30 DGEDHN CCCN(CCN1CCCCC1)c1ccc(Cl)c(C#N)n1 ZINC000561379405 435214413 /nfs/dbraw/zinc/21/44/13/435214413.db2.gz QAGXBTLFIDOGBI-UHFFFAOYSA-N 0 3 306.841 3.309 20 30 DGEDHN C[C@@H](N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000580275630 435215719 /nfs/dbraw/zinc/21/57/19/435215719.db2.gz MRSSXNXKTJMCDB-PBHICJAKSA-N 0 3 313.445 3.420 20 30 DGEDHN C[C@@H](CCC#N)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496537125 435221664 /nfs/dbraw/zinc/22/16/64/435221664.db2.gz CSLQAPIZDKFLBU-AWEZNQCLSA-N 0 3 307.438 3.154 20 30 DGEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000533298288 435223381 /nfs/dbraw/zinc/22/33/81/435223381.db2.gz OOGQWCHHSGZGJD-JKSUJKDBSA-N 0 3 305.466 3.230 20 30 DGEDHN CN(CCN1CCCC1)c1c(C#N)cnc2c(Cl)cccc21 ZINC000580320348 435223735 /nfs/dbraw/zinc/22/37/35/435223735.db2.gz COBPMIAVJFRCBH-UHFFFAOYSA-N 0 3 314.820 3.292 20 30 DGEDHN C=CCCCCCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533288566 435224620 /nfs/dbraw/zinc/22/46/20/435224620.db2.gz OQXQGZBUHKVMON-SFHVURJKSA-N 0 3 311.429 3.342 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000496427669 435212606 /nfs/dbraw/zinc/21/26/06/435212606.db2.gz BAUZTUHJZDAJFA-RBSFLKMASA-N 0 3 307.438 3.010 20 30 DGEDHN CCC(CC)N(CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000533406397 435236593 /nfs/dbraw/zinc/23/65/93/435236593.db2.gz YNJINTWCMWZAMC-UHFFFAOYSA-N 0 3 303.406 3.360 20 30 DGEDHN N#CC1(CN[C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000582397146 435239549 /nfs/dbraw/zinc/23/95/49/435239549.db2.gz QZEJHPMRDBEHCH-CQSZACIVSA-N 0 3 305.219 3.200 20 30 DGEDHN C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000298097043 298182962 /nfs/dbraw/zinc/18/29/62/298182962.db2.gz KVEVVYDVJXZCSL-KYHPRHEASA-N 0 3 313.445 3.409 20 30 DGEDHN N#CC1CCC(CN[C@H](c2ccccc2)c2cncnc2)CC1 ZINC000562463416 435259551 /nfs/dbraw/zinc/25/95/51/435259551.db2.gz JMEASHIFSKJBHK-LADRWXRNSA-N 0 3 306.413 3.486 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496871310 435265930 /nfs/dbraw/zinc/26/59/30/435265930.db2.gz AHUVLGYIQKYCDW-LVQVYYBASA-N 0 3 321.465 3.161 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C1(CC)CC ZINC000584180493 435282286 /nfs/dbraw/zinc/28/22/86/435282286.db2.gz QBKJNTHXDXPWPX-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2ccccc2CO1 ZINC000566351396 435286732 /nfs/dbraw/zinc/28/67/32/435286732.db2.gz XIWFUQKVQQVCMI-MRXNPFEDSA-N 0 3 306.365 3.233 20 30 DGEDHN CN(CCOc1ccc(F)cc1)CCOc1ccccc1C#N ZINC000497599782 435301259 /nfs/dbraw/zinc/30/12/59/435301259.db2.gz LHGDIJDHLIBHQM-UHFFFAOYSA-N 0 3 314.360 3.087 20 30 DGEDHN COC(=O)c1cccc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)c1C#N ZINC000535963197 435364179 /nfs/dbraw/zinc/36/41/79/435364179.db2.gz JNHGDGSXUGKEGX-QWQRMKEZSA-N 0 3 312.413 3.498 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC000648773358 435416691 /nfs/dbraw/zinc/41/66/91/435416691.db2.gz FDOPNQNWXOMHAH-HXUWFJFHSA-N 0 3 312.457 3.047 20 30 DGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000514611324 435424638 /nfs/dbraw/zinc/42/46/38/435424638.db2.gz JLDXINXKCTUCHL-YSIASYRMSA-N 0 3 321.424 3.394 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1 ZINC000643883152 435376699 /nfs/dbraw/zinc/37/66/99/435376699.db2.gz PWUDOHGNEUNIMO-GJZGRUSLSA-N 0 3 317.351 3.289 20 30 DGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1ccc(C#N)cn1 ZINC000514611323 435424903 /nfs/dbraw/zinc/42/49/03/435424903.db2.gz JLDXINXKCTUCHL-MISYRCLQSA-N 0 3 321.424 3.394 20 30 DGEDHN CC(C)(C)c1ccc(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000568384553 435431080 /nfs/dbraw/zinc/43/10/80/435431080.db2.gz MXTWYEKYZVXJRF-USXIJHARSA-N 0 3 316.445 3.006 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000537225888 435432778 /nfs/dbraw/zinc/43/27/78/435432778.db2.gz RLXLTFRYZCTXNT-FUHWJXTLSA-N 0 3 315.461 3.155 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000568517146 435443946 /nfs/dbraw/zinc/44/39/46/435443946.db2.gz ZXTZYNXOPVJSCC-BLLLJJGKSA-N 0 3 323.352 3.121 20 30 DGEDHN CC(C)(CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCCC1 ZINC000538648562 435511114 /nfs/dbraw/zinc/51/11/14/435511114.db2.gz RCNDKGIQZJSJMX-UHFFFAOYSA-N 0 3 319.836 3.206 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 ZINC000568939009 435484886 /nfs/dbraw/zinc/48/48/86/435484886.db2.gz QTOGLUIJUGMCKW-KRWDZBQOSA-N 0 3 309.413 3.112 20 30 DGEDHN Cc1cccc([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)c1C ZINC000538187950 435485209 /nfs/dbraw/zinc/48/52/09/435485209.db2.gz MCHSLFZMQSRKBM-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2nccn21 ZINC000515460757 435486452 /nfs/dbraw/zinc/48/64/52/435486452.db2.gz FOOXVBFTLBOZGS-SFHVURJKSA-N 0 3 302.381 3.373 20 30 DGEDHN CC(C)(C)c1ccc(OC[C@H](O)CNCC(C)(C)CC#N)cc1 ZINC000568977201 435489567 /nfs/dbraw/zinc/48/95/67/435489567.db2.gz QBRWJXWOPFXSMJ-MRXNPFEDSA-N 0 3 318.461 3.253 20 30 DGEDHN C=C(C)[C@@H](CO)N(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000649280285 435557192 /nfs/dbraw/zinc/55/71/92/435557192.db2.gz UEJIILSVIMJNFP-GOSISDBHSA-N 0 3 318.392 3.282 20 30 DGEDHN C=C(C)[C@H](CO)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000649361821 435570560 /nfs/dbraw/zinc/57/05/60/435570560.db2.gz PWPZPBRIVHTHBB-SFHVURJKSA-N 0 3 300.377 3.333 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000645193826 435588850 /nfs/dbraw/zinc/58/88/50/435588850.db2.gz OGVYVXHVHJEAGE-TVQRCGJNSA-N 0 3 302.187 3.176 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000540629486 435611015 /nfs/dbraw/zinc/61/10/15/435611015.db2.gz UIEXNTIYOBEZDN-MRXNPFEDSA-N 0 3 303.793 3.197 20 30 DGEDHN C[C@@]1(NCC(=O)Nc2ccc(C#N)cc2)CCCc2ccccc21 ZINC000540897544 435623863 /nfs/dbraw/zinc/62/38/63/435623863.db2.gz HLTGHVXVQUGIMS-HXUWFJFHSA-N 0 3 319.408 3.338 20 30 DGEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccc(C)cc2)s1 ZINC000540323669 435598335 /nfs/dbraw/zinc/59/83/35/435598335.db2.gz GMXFIMNJCIRXJW-AWEZNQCLSA-N 0 3 302.443 3.393 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CCC2)C2CCCC2)CC1 ZINC000645232902 435600805 /nfs/dbraw/zinc/60/08/05/435600805.db2.gz YBKKUQDHRLPTEF-GOSISDBHSA-N 0 3 319.493 3.295 20 30 DGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548302777 435683417 /nfs/dbraw/zinc/68/34/17/435683417.db2.gz WJDKNRMQSAPCNQ-STQMWFEESA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@]12CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000571332409 435697555 /nfs/dbraw/zinc/69/75/55/435697555.db2.gz WMXNHGCKEUYFQH-GRZALLJUSA-N 0 3 311.385 3.334 20 30 DGEDHN C#CCN(Cc1cc(-c2cnn(C)c2C)no1)C1CCCCC1 ZINC000490974730 435693121 /nfs/dbraw/zinc/69/31/21/435693121.db2.gz QDXYJABCPFVOPN-UHFFFAOYSA-N 0 3 312.417 3.151 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NCCN(C)CCCC ZINC000491058296 435702026 /nfs/dbraw/zinc/70/20/26/435702026.db2.gz XPDOEWWDQKSPAN-UHFFFAOYSA-N 0 3 309.479 3.178 20 30 DGEDHN C#C[C@@H](CC)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000491307558 435729142 /nfs/dbraw/zinc/72/91/42/435729142.db2.gz QQRLHEOJRGFFMI-SFHVURJKSA-N 0 3 316.408 3.436 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNCc1cc2n(n1)CCCC2)C(C)C ZINC000655714424 435742952 /nfs/dbraw/zinc/74/29/52/435742952.db2.gz CSXQVYCSSMPPQP-IBGZPJMESA-N 0 3 316.493 3.008 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000651749875 435813549 /nfs/dbraw/zinc/81/35/49/435813549.db2.gz MFRWZKCJZVVINK-GHMZBOCLSA-N 0 3 312.335 3.377 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cc(Br)c(Cl)s1 ZINC000641768027 435815655 /nfs/dbraw/zinc/81/56/55/435815655.db2.gz UQANFSOUBFARMH-QMMMGPOBSA-N 0 3 322.655 3.028 20 30 DGEDHN CC#CC[C@H](CO)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000641768617 435816158 /nfs/dbraw/zinc/81/61/58/435816158.db2.gz DGVHQCACIRAYTH-QGZVFWFLSA-N 0 3 310.397 3.046 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C)cc(C)c2)CC1 ZINC000660597228 435819568 /nfs/dbraw/zinc/81/95/68/435819568.db2.gz NAUYQAFDJWOMMS-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000660599277 435820548 /nfs/dbraw/zinc/82/05/48/435820548.db2.gz HYOCCIJKZIMAQO-SJLPKXTDSA-N 0 3 319.493 3.461 20 30 DGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C2CCCC2)C1 ZINC000572591985 435844132 /nfs/dbraw/zinc/84/41/32/435844132.db2.gz PHLPEDJXYZBAPO-PBHICJAKSA-N 0 3 311.429 3.397 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000641939499 435846679 /nfs/dbraw/zinc/84/66/79/435846679.db2.gz AQEWFBAVIALFNK-CYBMUJFWSA-N 0 3 316.228 3.407 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000641939517 435846693 /nfs/dbraw/zinc/84/66/93/435846693.db2.gz DRQXPSIZVIAJJN-GFCCVEGCSA-N 0 3 316.228 3.407 20 30 DGEDHN C=C(CC)CNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000656251501 435923213 /nfs/dbraw/zinc/92/32/13/435923213.db2.gz BKTRZQHJOGWPBS-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)COc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000656256122 435926742 /nfs/dbraw/zinc/92/67/42/435926742.db2.gz SNNHQNVWAKRKNH-SFHVURJKSA-N 0 3 316.445 3.307 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000665389062 435964264 /nfs/dbraw/zinc/96/42/64/435964264.db2.gz AOWQJQYYRFFRQL-VSZNYVQBSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000665391959 435967273 /nfs/dbraw/zinc/96/72/73/435967273.db2.gz OAHCVMDELDNSDK-WCXIOVBPSA-N 0 3 307.482 3.103 20 30 DGEDHN C=CCc1cc(CN[C@H](CO)C[C@@H](C)CC)cc(OC)c1O ZINC000647244056 435988107 /nfs/dbraw/zinc/98/81/07/435988107.db2.gz SYEGYYPVADKGHG-BBRMVZONSA-N 0 3 307.434 3.016 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)CCCC1 ZINC000661531692 436102759 /nfs/dbraw/zinc/10/27/59/436102759.db2.gz UICOBUQTXJWVTD-IBGZPJMESA-N 0 3 319.493 3.250 20 30 DGEDHN C=CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000665945299 436103120 /nfs/dbraw/zinc/10/31/20/436103120.db2.gz HQCFSPZMFVEHMK-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000657391492 436176764 /nfs/dbraw/zinc/17/67/64/436176764.db2.gz LSACNDFIDBLFKJ-OLZOCXBDSA-N 0 3 316.371 3.313 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1c(Br)cnn1C ZINC000657531139 436237036 /nfs/dbraw/zinc/23/70/36/436237036.db2.gz XGXKJYOKQPERDZ-WCQYABFASA-N 0 3 312.255 3.407 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CC[C@H](Cc3ccccc3)C2)nn1 ZINC000657442655 436205407 /nfs/dbraw/zinc/20/54/07/436205407.db2.gz UKSGIVLASQPNLX-MSOLQXFVSA-N 0 3 310.445 3.355 20 30 DGEDHN C=CCC1(NCC(=O)Nc2nnc(C(C)(C)C)s2)CCCC1 ZINC000661852293 436212442 /nfs/dbraw/zinc/21/24/42/436212442.db2.gz PMZQIKDSZZEOKU-UHFFFAOYSA-N 0 3 322.478 3.253 20 30 DGEDHN OC[C@@H]1CCCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000653782094 436264251 /nfs/dbraw/zinc/26/42/51/436264251.db2.gz OXTIDKACWAEKSO-INIZCTEOSA-N 0 3 311.347 3.294 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000662082936 436269786 /nfs/dbraw/zinc/26/97/86/436269786.db2.gz YOPCUYUSTCCUMI-RWQQGDIJSA-N 0 3 312.457 3.478 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H](O)C23CCC3)ccc1OC ZINC000657702136 436283122 /nfs/dbraw/zinc/28/31/22/436283122.db2.gz CUZDANZDHOEMFC-MSOLQXFVSA-N 0 3 317.429 3.043 20 30 DGEDHN C=C(C)CN1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 ZINC000662376958 436341812 /nfs/dbraw/zinc/34/18/12/436341812.db2.gz JJDIADBBYRWHRN-UHFFFAOYSA-N 0 3 319.449 3.316 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000667029381 436328699 /nfs/dbraw/zinc/32/86/99/436328699.db2.gz ZHJCHHJMWKFSPV-MRXNPFEDSA-N 0 3 301.434 3.363 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658334897 436432742 /nfs/dbraw/zinc/43/27/42/436432742.db2.gz WYWLCCCGFBXCAM-MLGOLLRUSA-N 0 3 301.386 3.055 20 30 DGEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000177687484 312782501 /nfs/dbraw/zinc/78/25/01/312782501.db2.gz QXOJAHHDENHBAW-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN CCc1ccc([C@H](CO)NCCCOc2cccc(C#N)c2)cc1 ZINC000542912599 314105764 /nfs/dbraw/zinc/10/57/64/314105764.db2.gz NQHXFUFIGABJII-FQEVSTJZSA-N 0 3 324.424 3.213 20 30 DGEDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543034228 314110590 /nfs/dbraw/zinc/11/05/90/314110590.db2.gz GGLIQICUEHXHML-CABCVRRESA-N 0 3 321.424 3.400 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2cccs2)C2CC2)cc1 ZINC000544397984 314190263 /nfs/dbraw/zinc/19/02/63/314190263.db2.gz WMBUARNGPDXABZ-QGZVFWFLSA-N 0 3 311.410 3.299 20 30 DGEDHN Cc1cnc(CNC2CCN(c3ccc(C#N)cc3)CC2)s1 ZINC000552045275 314591854 /nfs/dbraw/zinc/59/18/54/314591854.db2.gz BEBHGOGEPVYQKS-UHFFFAOYSA-N 0 3 312.442 3.082 20 30 DGEDHN CC(C)(C)CN(Cc1cnc2c(C#N)cnn2c1)CC(C)(C)C ZINC000563149735 315083587 /nfs/dbraw/zinc/08/35/87/315083587.db2.gz LHWSOYLVAUPYEH-UHFFFAOYSA-N 0 3 313.449 3.495 20 30 DGEDHN Cc1nc(CNC2CCC(Oc3ccccc3C#N)CC2)[nH]c1C ZINC000563439879 315115856 /nfs/dbraw/zinc/11/58/56/315115856.db2.gz JCYSEOIHZPJHAW-UHFFFAOYSA-N 0 3 324.428 3.378 20 30 DGEDHN N#Cc1ccncc1N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000565869531 315293042 /nfs/dbraw/zinc/29/30/42/315293042.db2.gz UYWUUCAYWPLUDY-LJQANCHMSA-N 0 3 318.424 3.153 20 30 DGEDHN Cc1csc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)c1C#N ZINC000566421264 315343367 /nfs/dbraw/zinc/34/33/67/315343367.db2.gz XOBHKVODUQGNBR-OLZOCXBDSA-N 0 3 320.462 3.313 20 30 DGEDHN CN(Cc1ccc(C#N)cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000566804392 315375233 /nfs/dbraw/zinc/37/52/33/315375233.db2.gz HSNTWVDCMHIMQN-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN CC1CCN([C@@H](CNc2cncc(C#N)n2)c2ccccc2)CC1 ZINC000571069930 315694717 /nfs/dbraw/zinc/69/47/17/315694717.db2.gz VLOMSLQKJMAZJE-SFHVURJKSA-N 0 3 321.428 3.233 20 30 DGEDHN CN1CC[C@H](Nc2ncc3c(c2C#N)CCC3)[C@@H]1c1ccccc1 ZINC000574983997 316021708 /nfs/dbraw/zinc/02/17/08/316021708.db2.gz RLRKAQDPYGHJCL-OALUTQOASA-N 0 3 318.424 3.299 20 30 DGEDHN CC1=CCC[C@H](C)[C@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000575068700 316030058 /nfs/dbraw/zinc/03/00/58/316030058.db2.gz LAMBORGROREOSB-WMZOPIPTSA-N 0 3 310.445 3.068 20 30 DGEDHN CCC[C@H]1CN(c2cccnc2C#N)CCN1Cc1ccccc1 ZINC000576081395 316092464 /nfs/dbraw/zinc/09/24/64/316092464.db2.gz KNAVIQLNCZPURG-SFHVURJKSA-N 0 3 320.440 3.444 20 30 DGEDHN CN(Cc1ccc(C#N)cn1)[C@H]1CCCN(c2ccccc2)C1 ZINC000577451344 316236373 /nfs/dbraw/zinc/23/63/73/316236373.db2.gz JXPXSISEOFXDRO-IBGZPJMESA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2ccc(C#N)cn2)C1 ZINC000578079778 316301506 /nfs/dbraw/zinc/30/15/06/316301506.db2.gz CPQJVTZQRSNOSK-FDPIWHGQSA-N 0 3 313.445 3.105 20 30 DGEDHN COC[C@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000181680361 323264009 /nfs/dbraw/zinc/26/40/09/323264009.db2.gz FOOWQQDTWSXKAE-IBGZPJMESA-N 0 3 310.397 3.304 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000182935009 323316835 /nfs/dbraw/zinc/31/68/35/323316835.db2.gz WUHLRRFABQXJFO-LBPRGKRZSA-N 0 3 303.406 3.265 20 30 DGEDHN CC(C)N(CC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581231079 324091574 /nfs/dbraw/zinc/09/15/74/324091574.db2.gz NJXZDQNPCJXZIJ-GOSISDBHSA-N 0 3 311.429 3.174 20 30 DGEDHN Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)c1 ZINC000584106787 331741866 /nfs/dbraw/zinc/74/18/66/331741866.db2.gz ICZFEGXMKQEFPR-ZDUSSCGKSA-N 0 3 313.426 3.435 20 30 DGEDHN C[C@@H](Cc1cccc(Br)c1)NC[C@@H](C#N)CCC#N ZINC000557216084 331777322 /nfs/dbraw/zinc/77/73/22/331777322.db2.gz BFROYNMBBHLOAX-GXTWGEPZSA-N 0 3 320.234 3.413 20 30 DGEDHN C=CCCCCCN(C)CC(=O)N1CCc2sccc2C1 ZINC000150878632 332196798 /nfs/dbraw/zinc/19/67/98/332196798.db2.gz SMZMHXKUGIYBPK-UHFFFAOYSA-N 0 3 306.475 3.311 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](Cc1ccccc1)C1CC1 ZINC000181554138 332199089 /nfs/dbraw/zinc/19/90/89/332199089.db2.gz QLIBIKBLZHAJNG-GOSISDBHSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C2CC2)cc1)C(=O)NC1(C#N)CCC1 ZINC000562826805 332629790 /nfs/dbraw/zinc/62/97/90/332629790.db2.gz XXBJOTNUGHLBER-UONOGXRCSA-N 0 3 311.429 3.166 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000193225551 333058931 /nfs/dbraw/zinc/05/89/31/333058931.db2.gz BWOIRPDHNYRMRE-HUUCEWRRSA-N 0 3 304.459 3.474 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1CC)C(C)C ZINC000522075934 333072360 /nfs/dbraw/zinc/07/23/60/333072360.db2.gz XACOMRVWKYGJOB-SJORKVTESA-N 0 3 307.482 3.269 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000497244383 333226817 /nfs/dbraw/zinc/22/68/17/333226817.db2.gz JBUFNBVEIFBTMT-DZGCQCFKSA-N 0 3 307.438 3.010 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000295683020 335137049 /nfs/dbraw/zinc/13/70/49/335137049.db2.gz YMRHGOCBTPKZLI-OAHLLOKOSA-N 0 3 310.441 3.086 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3CC[C@@H](C#N)C3)ccc2NC1=O ZINC000278505313 334097098 /nfs/dbraw/zinc/09/70/98/334097098.db2.gz ATYVCCKPJBHSQX-DMEJVMROSA-N 0 3 313.401 3.139 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000534578873 334288684 /nfs/dbraw/zinc/28/86/84/334288684.db2.gz ZVYMIAIYYFKLET-UONOGXRCSA-N 0 3 320.392 3.453 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1CCCC1 ZINC000344190825 335229137 /nfs/dbraw/zinc/22/91/37/335229137.db2.gz SUILUPNFTIXBFU-WUJZJPHMSA-N 0 3 319.493 3.428 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(C1)CCCCC2 ZINC000519615612 335881828 /nfs/dbraw/zinc/88/18/28/335881828.db2.gz RVPQNKVPBDHJDP-GOSISDBHSA-N 0 3 315.457 3.421 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C)C(C)C ZINC000520608759 335994408 /nfs/dbraw/zinc/99/44/08/335994408.db2.gz WGNDYIRTZAHLBS-GVDBMIGSSA-N 0 3 307.482 3.173 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000352806452 336242477 /nfs/dbraw/zinc/24/24/77/336242477.db2.gz RCVKJRKKFFLUFM-XCBNKYQSSA-N 0 3 322.233 3.167 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC(c2ccnc3ccccc32)CC1 ZINC000514611899 336386115 /nfs/dbraw/zinc/38/61/15/336386115.db2.gz NSWDUNVXKIZTSW-HNNXBMFYSA-N 0 3 323.440 3.105 20 30 DGEDHN CC(C)Cc1ccc([C@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1 ZINC000582261291 336697828 /nfs/dbraw/zinc/69/78/28/336697828.db2.gz IOIMRGSPXPWGAF-KRWDZBQOSA-N 0 3 315.461 3.154 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000584470138 337345042 /nfs/dbraw/zinc/34/50/42/337345042.db2.gz MYTXCMCVWHZTNU-CQSZACIVSA-N 0 3 305.385 3.069 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCC#N)C1c2ccccc2-c2ccccc21 ZINC000424167965 337790476 /nfs/dbraw/zinc/79/04/76/337790476.db2.gz FJYWFCJMTTWODF-SFHVURJKSA-N 0 3 319.408 3.236 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC(C)C)CC(C)C)CC1 ZINC000106341009 337816628 /nfs/dbraw/zinc/81/66/28/337816628.db2.gz KZRSIMJVYSLIRA-UHFFFAOYSA-N 0 3 309.498 3.351 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000121537129 337895102 /nfs/dbraw/zinc/89/51/02/337895102.db2.gz FOVYMEWWWAEASS-INIZCTEOSA-N 0 3 300.446 3.255 20 30 DGEDHN C#C[C@H](NCc1ccc(OC(=O)CC)c(OCC)c1)C(C)C ZINC000491338705 339858503 /nfs/dbraw/zinc/85/85/03/339858503.db2.gz KRKAIQTTWZGXMR-HNNXBMFYSA-N 0 3 303.402 3.148 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCCC2)C1=O ZINC000499605456 340040706 /nfs/dbraw/zinc/04/07/06/340040706.db2.gz ZTSHZCMGXBUXJW-ROUUACIJSA-N 0 3 316.420 3.434 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(F)c2)C2CCCC2)C1=O ZINC000499614125 340041027 /nfs/dbraw/zinc/04/10/27/340041027.db2.gz ZKQQZCCOQPPKSV-QZTJIDSGSA-N 0 3 316.420 3.434 20 30 DGEDHN C=CCNC(=O)CNC/C(C)=C/c1ccccc1C(F)(F)F ZINC000500364539 340055713 /nfs/dbraw/zinc/05/57/13/340055713.db2.gz GGIIFNXIXIAHMB-FMIVXFBMSA-N 0 3 312.335 3.001 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000502162785 340096130 /nfs/dbraw/zinc/09/61/30/340096130.db2.gz AIUAAKIEJGKLOJ-RDJZCZTQSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1 ZINC000502325377 340099870 /nfs/dbraw/zinc/09/98/70/340099870.db2.gz MWKSRZALTFVIQY-GOSISDBHSA-N 0 3 315.388 3.254 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1cccc(C)c1 ZINC000502502634 340106108 /nfs/dbraw/zinc/10/61/08/340106108.db2.gz QNZOPDSVWSTKBN-LJQANCHMSA-N 0 3 311.425 3.423 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C(C)C)no1)C(C)C ZINC000505517361 340170169 /nfs/dbraw/zinc/17/01/69/340170169.db2.gz YHPDLEKQSCBGGO-MRXNPFEDSA-N 0 3 319.449 3.226 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC1CCCCC1 ZINC000507648882 340227195 /nfs/dbraw/zinc/22/71/95/340227195.db2.gz DTZLAPNETRJVOU-QAPCUYQASA-N 0 3 307.482 3.332 20 30 DGEDHN CC#CCCCC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000508335441 340242516 /nfs/dbraw/zinc/24/25/16/340242516.db2.gz PFKDXRVZWLRCLD-UHFFFAOYSA-N 0 3 304.478 3.343 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508883381 340254990 /nfs/dbraw/zinc/25/49/90/340254990.db2.gz VXFKRVCASNKJJN-WBVHZDCISA-N 0 3 303.450 3.285 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000509585060 340274174 /nfs/dbraw/zinc/27/41/74/340274174.db2.gz FBVFSDACCJUCQC-OAGGEKHMSA-N 0 3 319.449 3.459 20 30 DGEDHN C=C(C)CCN1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000509655350 340275942 /nfs/dbraw/zinc/27/59/42/340275942.db2.gz BTLPDKBBJXSILT-HNNXBMFYSA-N 0 3 320.864 3.381 20 30 DGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1ccc(Cl)cc1 ZINC000511621666 340332765 /nfs/dbraw/zinc/33/27/65/340332765.db2.gz AAMNUHISJUFDEL-GCDKYVQMSA-N 0 3 301.817 3.047 20 30 DGEDHN C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511939682 340343298 /nfs/dbraw/zinc/34/32/98/340343298.db2.gz DNTQEKZBTGMHTM-KRWDZBQOSA-N 0 3 315.461 3.162 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(C(C)C)CC2)CC1 ZINC000186584437 340514461 /nfs/dbraw/zinc/51/44/61/340514461.db2.gz AHUBEDNIBPLREC-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000190509448 340545605 /nfs/dbraw/zinc/54/56/05/340545605.db2.gz NBMCGNHUYSQGRP-INIZCTEOSA-N 0 3 310.507 3.067 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000193658564 340580960 /nfs/dbraw/zinc/58/09/60/340580960.db2.gz JEDUHORQURQTSP-HHXXYDBFSA-N 0 3 318.461 3.023 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC=CCC1)C(C)C ZINC000522998748 340613010 /nfs/dbraw/zinc/61/30/10/340613010.db2.gz GXKFLNDIIQDKSA-SJORKVTESA-N 0 3 305.466 3.093 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1scnc1CC)C(C)C ZINC000127827034 340856733 /nfs/dbraw/zinc/85/67/33/340856733.db2.gz UKOZHOFHMHKEPE-OAHLLOKOSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000541324312 340966901 /nfs/dbraw/zinc/96/69/01/340966901.db2.gz WRLFPSLACPLWGK-HNNXBMFYSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000542320457 341004819 /nfs/dbraw/zinc/00/48/19/341004819.db2.gz XYYJOPQXCZKKEG-PKOBYXMFSA-N 0 3 312.457 3.373 20 30 DGEDHN N#CCC1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000542880150 341024856 /nfs/dbraw/zinc/02/48/56/341024856.db2.gz PCXWMHYQELAURY-UHFFFAOYSA-N 0 3 323.799 3.433 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000543628670 341052090 /nfs/dbraw/zinc/05/20/90/341052090.db2.gz WAPICBZOLGSTKT-NJAFHUGGSA-N 0 3 315.461 3.161 20 30 DGEDHN COCCCOc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000543781763 341058568 /nfs/dbraw/zinc/05/85/68/341058568.db2.gz SVROGPXEEKCBGM-UHFFFAOYSA-N 0 3 302.418 3.228 20 30 DGEDHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(CC#N)CC2)c1 ZINC000544450707 341082758 /nfs/dbraw/zinc/08/27/58/341082758.db2.gz CULIVPAAECSBOX-OAHLLOKOSA-N 0 3 322.836 3.014 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000544894163 341097725 /nfs/dbraw/zinc/09/77/25/341097725.db2.gz SDHAVKKIQHYJCT-MAUKXSAKSA-N 0 3 301.434 3.009 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000544894164 341097782 /nfs/dbraw/zinc/09/77/82/341097782.db2.gz SDHAVKKIQHYJCT-QAPCUYQASA-N 0 3 301.434 3.009 20 30 DGEDHN C#CCNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132466120 341123812 /nfs/dbraw/zinc/12/38/12/341123812.db2.gz DULBTFFTNPZASP-UHFFFAOYSA-N 0 3 321.420 3.494 20 30 DGEDHN CCN(CC1CCN(CCCC#N)CC1)C(=O)OC(C)(C)C ZINC000075008124 341160154 /nfs/dbraw/zinc/16/01/54/341160154.db2.gz ADVCNDJZQGLEJK-UHFFFAOYSA-N 0 3 309.454 3.259 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133511682 341177014 /nfs/dbraw/zinc/17/70/14/341177014.db2.gz OKIDHKHVHHLKQB-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135288532 341235525 /nfs/dbraw/zinc/23/55/25/341235525.db2.gz NSOQTPPTKSQNHV-CQSZACIVSA-N 0 3 306.475 3.383 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000547948128 341240234 /nfs/dbraw/zinc/24/02/34/341240234.db2.gz FPWKQRPYLCRWBW-CQSZACIVSA-N 0 3 304.459 3.036 20 30 DGEDHN C=CCC[C@H](C(=O)NCCN1CC[C@@H](C)C1)c1ccccc1 ZINC000547978381 341241823 /nfs/dbraw/zinc/24/18/23/341241823.db2.gz XPEORMSUQIMTIZ-AEFFLSMTSA-N 0 3 300.446 3.194 20 30 DGEDHN CC[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000246228339 341335695 /nfs/dbraw/zinc/33/56/95/341335695.db2.gz MGRPJQQQWRVJFB-CABCVRRESA-N 0 3 317.408 3.193 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC=CC[C@H]1C)C(C)C ZINC000551490019 341342841 /nfs/dbraw/zinc/34/28/41/341342841.db2.gz XGWHCEQJXFGFMA-KZNAEPCWSA-N 0 3 304.478 3.404 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000552993818 341411894 /nfs/dbraw/zinc/41/18/94/341411894.db2.gz UXOLAEZSXIPYEY-UHFFFAOYSA-N 0 3 322.478 3.213 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CNCc1cc(C)cs1 ZINC000565828706 341539511 /nfs/dbraw/zinc/53/95/11/341539511.db2.gz DZKSGPWXNCMZES-MRXNPFEDSA-N 0 3 317.454 3.315 20 30 DGEDHN COc1ccc([C@@H](CCC#N)NCCCCn2ccnc2)cc1 ZINC000575081949 341775783 /nfs/dbraw/zinc/77/57/83/341775783.db2.gz YNLQAQYVTYOKPD-GOSISDBHSA-N 0 3 312.417 3.307 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)c2Cl)CC1 ZINC000179054626 341977218 /nfs/dbraw/zinc/97/72/18/341977218.db2.gz GVWNBAONSGZLHG-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000432292554 533733057 /nfs/dbraw/zinc/73/30/57/533733057.db2.gz WOCUSHSNXWAODU-KBPBESRZSA-N 0 3 314.433 3.251 20 30 DGEDHN COc1cc(CN(C)CCCC(=O)OC(C)(C)C)ccc1C#N ZINC000442886921 533780840 /nfs/dbraw/zinc/78/08/40/533780840.db2.gz VTGUXKOPPPPQGO-UHFFFAOYSA-N 0 3 318.417 3.121 20 30 DGEDHN COc1cc(CN(C)CCOc2ccccc2C)ccc1C#N ZINC000442801584 533784022 /nfs/dbraw/zinc/78/40/22/533784022.db2.gz NDQFPKJLHZHZQT-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN C[C@H](c1cccnc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311389 534148221 /nfs/dbraw/zinc/14/82/21/534148221.db2.gz LZBJHKDTNKYLGL-NVXWUHKLSA-N 0 3 307.397 3.374 20 30 DGEDHN CC(C#N)C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000358938850 534282976 /nfs/dbraw/zinc/28/29/76/534282976.db2.gz YUUODXOMUJTION-IAQYHMDHSA-N 0 3 306.793 3.084 20 30 DGEDHN Cc1nc(CNC(=O)C(C)C#N)oc1-c1ccc(Cl)cc1 ZINC000352459613 534380679 /nfs/dbraw/zinc/38/06/79/534380679.db2.gz ANLHGKLIQMCAES-VIFPVBQESA-N 0 3 303.749 3.079 20 30 DGEDHN Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1C#N ZINC000309917231 534406596 /nfs/dbraw/zinc/40/65/96/534406596.db2.gz UTQFHWLTYCFTQJ-CRAIPNDOSA-N 0 3 306.413 3.337 20 30 DGEDHN CC(C)CO[C@@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000156708578 519760364 /nfs/dbraw/zinc/76/03/64/519760364.db2.gz ZCFJMBAIAMILSS-GOSISDBHSA-N 0 3 302.418 3.074 20 30 DGEDHN C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000444668508 534461423 /nfs/dbraw/zinc/46/14/23/534461423.db2.gz DUMXFBVUBWVICL-XLIONFOSSA-N 0 3 320.436 3.199 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)c(Br)c1 ZINC000449546236 534573293 /nfs/dbraw/zinc/57/32/93/534573293.db2.gz BBNPTKOBWPXBEC-KGLIPLIRSA-N 0 3 314.198 3.411 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(O)cc(C(F)(F)F)c1 ZINC000449546289 534574323 /nfs/dbraw/zinc/57/43/23/534574323.db2.gz BKKKSMWMICGDNZ-KGLIPLIRSA-N 0 3 301.308 3.234 20 30 DGEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CCCC1 ZINC000452128572 534584486 /nfs/dbraw/zinc/58/44/86/534584486.db2.gz VETTWKQDMXTSCX-GVDBMIGSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449519041 534609215 /nfs/dbraw/zinc/60/92/15/534609215.db2.gz KYWRYTHEINRXAQ-CVEARBPZSA-N 0 3 303.402 3.075 20 30 DGEDHN Cn1cc(CNCCC(C)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000294910976 534734674 /nfs/dbraw/zinc/73/46/74/534734674.db2.gz AQBKEBAFKUYFFO-UHFFFAOYSA-N 0 3 304.344 3.094 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cc(C#N)cs1 ZINC000156782033 524631722 /nfs/dbraw/zinc/63/17/22/524631722.db2.gz WHGCXDCIQKTTOK-KSSFIOAISA-N 0 3 311.454 3.230 20 30 DGEDHN Cn1nc(C(C)(C)C)cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330972035 534822089 /nfs/dbraw/zinc/82/20/89/534822089.db2.gz MWBYMJQRNQKZRA-UHFFFAOYSA-N 0 3 320.481 3.144 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000339084260 534863867 /nfs/dbraw/zinc/86/38/67/534863867.db2.gz IXTOCWZZJQKFKF-XDTLVQLUSA-N 0 3 314.355 3.405 20 30 DGEDHN CC#CCCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000185074726 526295789 /nfs/dbraw/zinc/29/57/89/526295789.db2.gz JSEIMOSEJYYQNI-UHFFFAOYSA-N 0 3 312.457 3.003 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1ccc2c(c1)oc(=O)n2C ZINC000350700924 526314304 /nfs/dbraw/zinc/31/43/04/526314304.db2.gz OUGNKCHFNLDXAT-UHFFFAOYSA-N 0 3 322.408 3.362 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](O)COc1ccccc1C ZINC000352702464 526325793 /nfs/dbraw/zinc/32/57/93/526325793.db2.gz XHEVZTOKJKZUHG-QGZVFWFLSA-N 0 3 315.413 3.058 20 30 DGEDHN C=CCN1CCC(NC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC000178794900 526422620 /nfs/dbraw/zinc/42/26/20/526422620.db2.gz BUPXXPYZDAGQMA-INIZCTEOSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2CCC(C(C)C)CC2)CC1 ZINC000431699594 526432157 /nfs/dbraw/zinc/43/21/57/526432157.db2.gz WQQREODJEOMAJY-UHFFFAOYSA-N 0 3 321.509 3.398 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000413249408 526440226 /nfs/dbraw/zinc/44/02/26/526440226.db2.gz YRBTUAGPGUNCQV-HOTGVXAUSA-N 0 3 307.482 3.151 20 30 DGEDHN C=C(C)CCN1CCN(CCC(=C)C)[C@@H](c2cnn(C)c2)C1 ZINC000351718920 526445554 /nfs/dbraw/zinc/44/55/54/526445554.db2.gz LNKXWDIPAXSIGB-GOSISDBHSA-N 0 3 302.466 3.011 20 30 DGEDHN C=C(C)CCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000351853608 526445627 /nfs/dbraw/zinc/44/56/27/526445627.db2.gz DXLNXZPKEQSHIO-UHFFFAOYSA-N 0 3 318.852 3.072 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C)c(C)cc2Cl)CC1 ZINC000180722780 526446068 /nfs/dbraw/zinc/44/60/68/526446068.db2.gz YHUYNGIBYKSXPK-UHFFFAOYSA-N 0 3 306.837 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)c2scnc2C2CCCC2)CC1 ZINC000183549009 526450494 /nfs/dbraw/zinc/45/04/94/526450494.db2.gz BKUJYSRPPJCJLZ-UHFFFAOYSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCN1CCC(NCc2nc3ccc(OC)cc3s2)CC1 ZINC000353760259 526451185 /nfs/dbraw/zinc/45/11/85/526451185.db2.gz QEWUGUZVWAEQCJ-UHFFFAOYSA-N 0 3 317.458 3.045 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(F)c3ccccc32)C1=O ZINC000352262683 526484404 /nfs/dbraw/zinc/48/44/04/526484404.db2.gz JRMROVDPONTNLA-FZKQIMNGSA-N 0 3 312.388 3.416 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000360672964 526493421 /nfs/dbraw/zinc/49/34/21/526493421.db2.gz PUGXRWJCIPTYCF-AEFFLSMTSA-N 0 3 315.461 3.115 20 30 DGEDHN C=CCN1CC[C@H](N(C)CCCSCc2ccccc2)C1=O ZINC000337230805 526499896 /nfs/dbraw/zinc/49/98/96/526499896.db2.gz TVOCACQYOLOLKB-KRWDZBQOSA-N 0 3 318.486 3.029 20 30 DGEDHN C=CCN1CC[C@H](N(C2CC2)[C@@H]2CCCc3ccccc32)C1=O ZINC000337159336 526504669 /nfs/dbraw/zinc/50/46/69/526504669.db2.gz RSBRUWXFNHVBMO-MOPGFXCFSA-N 0 3 310.441 3.315 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2scnc2C2CC2)CC1 ZINC000328949397 526576876 /nfs/dbraw/zinc/57/68/76/526576876.db2.gz WPFJMJNCINWHCZ-UHFFFAOYSA-N 0 3 320.462 3.387 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(C)C)C2)CC1 ZINC000435974925 526585972 /nfs/dbraw/zinc/58/59/72/526585972.db2.gz VLCRTXQVPDJRBK-INIZCTEOSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC(C)(C)C2)CC1 ZINC000443112742 526594104 /nfs/dbraw/zinc/59/41/04/526594104.db2.gz WVQQYVNKXPSOTO-MRXNPFEDSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(OC)c(C)c2)CC1 ZINC000180064738 526599264 /nfs/dbraw/zinc/59/92/64/526599264.db2.gz KYYDYILRZDRZKQ-UHFFFAOYSA-N 0 3 316.445 3.082 20 30 DGEDHN C=C(C)CN[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000341623568 526625892 /nfs/dbraw/zinc/62/58/92/526625892.db2.gz LFVHTJOQQVFVJW-QGZVFWFLSA-N 0 3 316.445 3.305 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000357686322 526670448 /nfs/dbraw/zinc/67/04/48/526670448.db2.gz PIAHNKHCJWXXHB-ZBFHGGJFSA-N 0 3 317.433 3.246 20 30 DGEDHN C#CCCCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000129224952 526685533 /nfs/dbraw/zinc/68/55/33/526685533.db2.gz COCDFRAQFORKHL-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C#CCCCCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000129225184 526686410 /nfs/dbraw/zinc/68/64/10/526686410.db2.gz COCDFRAQFORKHL-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000185087823 526709248 /nfs/dbraw/zinc/70/92/48/526709248.db2.gz KJLUDIAEYCISQJ-INIZCTEOSA-N 0 3 300.446 3.370 20 30 DGEDHN CC(C)(C)c1cc(C(=O)NCCN2CCCC(C)(C)C2)no1 ZINC000330961034 526745842 /nfs/dbraw/zinc/74/58/42/526745842.db2.gz JOHKLQUQUIHLKR-UHFFFAOYSA-N 0 3 307.438 3.399 20 30 DGEDHN CC(=O)NCCN(CCCC(C)(C)C#N)Cc1ccc(C)s1 ZINC000338321110 526749521 /nfs/dbraw/zinc/74/95/21/526749521.db2.gz XTYNTKBFIFNYRM-UHFFFAOYSA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCOCCCN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000348058876 526752159 /nfs/dbraw/zinc/75/21/59/526752159.db2.gz VJEIRCMZXMSINF-GFCCVEGCSA-N 0 3 317.355 3.201 20 30 DGEDHN C=CCOCCCN1CCN(c2nccc3sccc32)CC1 ZINC000343992627 526756589 /nfs/dbraw/zinc/75/65/89/526756589.db2.gz NGIXQRQIWZKGKI-UHFFFAOYSA-N 0 3 317.458 3.011 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000343066687 526845792 /nfs/dbraw/zinc/84/57/92/526845792.db2.gz HTAWEAIPVIJQTF-JKSUJKDBSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H](C)N(CC)C[C@@H]2C)cc1OC ZINC000353803706 526873596 /nfs/dbraw/zinc/87/35/96/526873596.db2.gz LNUKGTARVWBGPV-HOTGVXAUSA-N 0 3 318.461 3.175 20 30 DGEDHN C=CCOc1ccc(CNCCc2ncc(C)cn2)cc1Cl ZINC000340109069 526886367 /nfs/dbraw/zinc/88/63/67/526886367.db2.gz NLMSPHHHHIMFNT-UHFFFAOYSA-N 0 3 317.820 3.336 20 30 DGEDHN C=CCOc1ccc(CN[C@]2(CCC)CCOC2)cc1OC ZINC000353039091 526891610 /nfs/dbraw/zinc/89/16/10/526891610.db2.gz OOLZSQHZIKZJDQ-GOSISDBHSA-N 0 3 305.418 3.309 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000348073017 526984914 /nfs/dbraw/zinc/98/49/14/526984914.db2.gz KNGYDZCDFUYLDU-IRXDYDNUSA-N 0 3 315.461 3.135 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000343963799 527021508 /nfs/dbraw/zinc/02/15/08/527021508.db2.gz ZJWSRHUGJYZYRE-UHFFFAOYSA-N 0 3 318.436 3.484 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)cc(Cl)c1OC ZINC000341296274 527078238 /nfs/dbraw/zinc/07/82/38/527078238.db2.gz JDBLTDOGRBZIMZ-SNVBAGLBSA-N 0 3 304.217 3.276 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000341893589 527082336 /nfs/dbraw/zinc/08/23/36/527082336.db2.gz YTKMUCYHZXHZBG-DZGCQCFKSA-N 0 3 317.408 3.155 20 30 DGEDHN C=CCCCC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178252270 527101938 /nfs/dbraw/zinc/10/19/38/527101938.db2.gz PACKUPDYJRTUGG-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C(C)C ZINC000413823430 527106736 /nfs/dbraw/zinc/10/67/36/527106736.db2.gz ACGBAKWIACXCLX-SFHVURJKSA-N 0 3 317.477 3.155 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](C)c1nc(C)cs1 ZINC000184116485 527128050 /nfs/dbraw/zinc/12/80/50/527128050.db2.gz WLXCMOAJCXOCJM-CYBMUJFWSA-N 0 3 300.427 3.357 20 30 DGEDHN C#CCSCCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000181095789 527151120 /nfs/dbraw/zinc/15/11/20/527151120.db2.gz MNANQDPHLQFNLL-LBPRGKRZSA-N 0 3 308.403 3.011 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000344336555 527157919 /nfs/dbraw/zinc/15/79/19/527157919.db2.gz SUIWNLUUDQBMMP-NJAFHUGGSA-N 0 3 315.461 3.303 20 30 DGEDHN C#CC[C@H](NCCC(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000298998812 527175793 /nfs/dbraw/zinc/17/57/93/527175793.db2.gz QGSWWTUODMMSIN-IBGZPJMESA-N 0 3 322.408 3.378 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(Br)cc1F ZINC000446924450 527189060 /nfs/dbraw/zinc/18/90/60/527189060.db2.gz GPEBKFIPUNVAMU-MNOVXSKESA-N 0 3 316.214 3.423 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(OC)c1O ZINC000443786916 527239293 /nfs/dbraw/zinc/23/92/93/527239293.db2.gz GZHPNGZLFQRWHB-GRDNDAEWSA-N 0 3 319.445 3.111 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000342995104 527290497 /nfs/dbraw/zinc/29/04/97/527290497.db2.gz NGGGVRQTESDTJY-INIZCTEOSA-N 0 3 303.450 3.162 20 30 DGEDHN C=CCCN(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000342741053 527318555 /nfs/dbraw/zinc/31/85/55/527318555.db2.gz SVFLPTMHHGKMKJ-UHFFFAOYSA-N 0 3 315.244 3.460 20 30 DGEDHN C=CCCN(C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000342722687 527324082 /nfs/dbraw/zinc/32/40/82/527324082.db2.gz OQPDHMBARNXXOJ-GFCCVEGCSA-N 0 3 312.816 3.334 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000352353347 527326475 /nfs/dbraw/zinc/32/64/75/527326475.db2.gz WCCMASZZUSLEFX-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344713396 527331851 /nfs/dbraw/zinc/33/18/51/527331851.db2.gz DEUCETFCXPQEHD-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C[C@@H](CO)NCc1cccc(OCc2ccccc2F)c1 ZINC000352449017 527440540 /nfs/dbraw/zinc/44/05/40/527440540.db2.gz XCDKKJLQWPSZOJ-INIZCTEOSA-N 0 3 301.361 3.041 20 30 DGEDHN C=CCC[C@H](NCC(=O)N(C)c1nccs1)c1ccccc1 ZINC000180046219 527482971 /nfs/dbraw/zinc/48/29/71/527482971.db2.gz VUSQTYWNWJZQQT-HNNXBMFYSA-N 0 3 315.442 3.403 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000429732707 527574119 /nfs/dbraw/zinc/57/41/19/527574119.db2.gz YEGKVFKQRWIUBN-QGZVFWFLSA-N 0 3 317.477 3.070 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2CCC[C@H]21)C(C)C ZINC000429943482 527648454 /nfs/dbraw/zinc/64/84/54/527648454.db2.gz NQVAWENKKHDLHC-RCCFBDPRSA-N 0 3 319.493 3.269 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc[nH]c1CC)C(C)C ZINC000352861448 527649750 /nfs/dbraw/zinc/64/97/50/527649750.db2.gz JYUWACSELZSCNZ-QGZVFWFLSA-N 0 3 303.450 3.006 20 30 DGEDHN 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DGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000594426531 547031689 /nfs/dbraw/zinc/03/16/89/547031689.db2.gz DURFPQFPZPCZOK-KRWDZBQOSA-N 0 3 313.445 3.026 20 30 DGEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594426723 547031866 /nfs/dbraw/zinc/03/18/66/547031866.db2.gz GEXXCYQPZGBWMB-HUUCEWRRSA-N 0 3 307.825 3.319 20 30 DGEDHN CC[C@@H]1CCc2nc(NC(=O)[C@H](N)CCCCC#N)sc2C1 ZINC000594426057 547031915 /nfs/dbraw/zinc/03/19/15/547031915.db2.gz CIXHNGHBSAZTHJ-VXGBXAGGSA-N 0 3 320.462 3.008 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2oc(SC)cc2C)CC1 ZINC000668369907 547446378 /nfs/dbraw/zinc/44/63/78/547446378.db2.gz IEHNCQMMCLHGCP-UHFFFAOYSA-N 0 3 308.447 3.080 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(SC)oc2C)CC1 ZINC000668369958 547446484 /nfs/dbraw/zinc/44/64/84/547446484.db2.gz JMINKRPNENSYSA-UHFFFAOYSA-N 0 3 308.447 3.080 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000668706056 547514106 /nfs/dbraw/zinc/51/41/06/547514106.db2.gz PMWAGRJUMXINIJ-CABCVRRESA-N 0 3 307.821 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574995907 /nfs/dbraw/zinc/99/59/07/574995907.db2.gz UYHYYZCYBSTEPE-UHFFFAOYSA-N 0 3 305.418 3.309 20 30 DGEDHN C#CCCCOC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000744049923 575069895 /nfs/dbraw/zinc/06/98/95/575069895.db2.gz WSSGRHCIWYEOHU-QGZVFWFLSA-N 0 3 313.397 3.120 20 30 DGEDHN CCCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC1 ZINC000728931302 575196170 /nfs/dbraw/zinc/19/61/70/575196170.db2.gz SLEHMSMVVJWWMF-HNNXBMFYSA-N 0 3 320.396 3.098 20 30 DGEDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(OCC#N)cc1 ZINC000729686078 575260417 /nfs/dbraw/zinc/26/04/17/575260417.db2.gz WSCSGXDQXRNELP-CQSZACIVSA-N 0 3 308.381 3.375 20 30 DGEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000729887890 575265509 /nfs/dbraw/zinc/26/55/09/575265509.db2.gz FCQWXIQJDMZUNH-XJKSGUPXSA-N 0 3 314.385 3.050 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2cc(C)ccc2C)CC1 ZINC000729943019 575267753 /nfs/dbraw/zinc/26/77/53/575267753.db2.gz XKJKIQSITHHMFD-UHFFFAOYSA-N 0 3 303.475 3.240 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2cc(C)c(C)cc2C)CC1 ZINC000729977523 575268712 /nfs/dbraw/zinc/26/87/12/575268712.db2.gz TYHHGZMHEIUUOC-SREVYHEPSA-N 0 3 312.457 3.392 20 30 DGEDHN O=C(C#Cc1ccccc1)N1CCCN(CC2CCCCC2)CC1 ZINC000747213929 575506233 /nfs/dbraw/zinc/50/62/33/575506233.db2.gz YWEJLJOCMZTWQP-UHFFFAOYSA-N 0 3 324.468 3.153 20 30 DGEDHN CCCCCCCCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747232339 575507251 /nfs/dbraw/zinc/50/72/51/575507251.db2.gz VZVXGZXPZVMJCK-SJORKVTESA-N 0 3 310.482 3.107 20 30 DGEDHN CC[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747530326 575523935 /nfs/dbraw/zinc/52/39/35/575523935.db2.gz XXMSECDOVDPMGM-QGZVFWFLSA-N 0 3 313.445 3.425 20 30 DGEDHN CN(C)c1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000747812008 575543295 /nfs/dbraw/zinc/54/32/95/575543295.db2.gz NBOBIPAWJRPHQA-UHFFFAOYSA-N 0 3 322.456 3.392 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)s1 ZINC000749110824 575627599 /nfs/dbraw/zinc/62/75/99/575627599.db2.gz RVBVXXQMIJFKSE-ZDUSSCGKSA-N 0 3 310.781 3.235 20 30 DGEDHN CCOc1ccc(/C=N/C2CCC(C[NH+](C)C)CC2)c([O-])c1 ZINC000749582951 575666409 /nfs/dbraw/zinc/66/64/09/575666409.db2.gz UCYRLTJQWVHZRT-XDHOZWIPSA-N 0 3 304.434 3.330 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2COC)c1[O-] ZINC000751953027 575814429 /nfs/dbraw/zinc/81/44/29/575814429.db2.gz ZVZMCEOSDAVMDJ-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H]2COC)c1[O-] ZINC000751953027 575814427 /nfs/dbraw/zinc/81/44/27/575814427.db2.gz ZVZMCEOSDAVMDJ-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN CC(C#N)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000752113340 575823640 /nfs/dbraw/zinc/82/36/40/575823640.db2.gz RQXCTIWIPQWWGV-HYVNUMGLSA-N 0 3 300.402 3.041 20 30 DGEDHN C=C(C)CCOC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000744305144 575926362 /nfs/dbraw/zinc/92/63/62/575926362.db2.gz OZZGHMDYKOSPNZ-AWEZNQCLSA-N 0 3 307.777 3.202 20 30 DGEDHN CC[C@H](C#N)Oc1cc(CNCc2cccn2C)ccc1OC ZINC000738429690 576123596 /nfs/dbraw/zinc/12/35/96/576123596.db2.gz BAOSHISBQQPMMT-MRXNPFEDSA-N 0 3 313.401 3.004 20 30 DGEDHN CC[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000727833002 576147867 /nfs/dbraw/zinc/14/78/67/576147867.db2.gz ICFXMSNTYJWAFC-OLZOCXBDSA-N 0 3 313.426 3.347 20 30 DGEDHN CCc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000727954547 576155846 /nfs/dbraw/zinc/15/58/46/576155846.db2.gz RBOUJDYZFRVVNN-DYVFJYSZSA-N 0 3 312.413 3.120 20 30 DGEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000727954550 576155946 /nfs/dbraw/zinc/15/59/46/576155946.db2.gz RBOUJDYZFRVVNN-SUMWQHHRSA-N 0 3 312.413 3.120 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)COCC(F)(F)F)cc1 ZINC000728711502 576197121 /nfs/dbraw/zinc/19/71/21/576197121.db2.gz BERDASYKDHNIJI-NWDGAFQWSA-N 0 3 316.323 3.034 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)COCC(F)(F)F)cc1 ZINC000728711504 576197258 /nfs/dbraw/zinc/19/72/58/576197258.db2.gz BERDASYKDHNIJI-RYUDHWBXSA-N 0 3 316.323 3.034 20 30 DGEDHN C#CCOc1ccccc1CNCCO[C@@H]1CCCC[C@H]1C ZINC000916838722 620646863 /nfs/dbraw/zinc/64/68/63/620646863.db2.gz XAFDDUNWIACQRR-SJLPKXTDSA-N 0 3 301.430 3.384 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccccc1Cl ZINC000916872396 620648536 /nfs/dbraw/zinc/64/85/36/620648536.db2.gz BVXXOCRZQYCIOF-CQSZACIVSA-N 0 3 320.820 3.288 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccoc1 ZINC000916902825 620649259 /nfs/dbraw/zinc/64/92/59/620649259.db2.gz IBHYBNWELLQPAC-HNNXBMFYSA-N 0 3 310.353 3.366 20 30 DGEDHN N#CC(C(=O)CCc1ccco1)C(=O)Nc1ccccc1Cl ZINC000916911717 620650083 /nfs/dbraw/zinc/65/00/83/620650083.db2.gz WNZZCYGQQXIJLF-LBPRGKRZSA-N 0 3 316.744 3.213 20 30 DGEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916912592 620649980 /nfs/dbraw/zinc/64/99/80/620649980.db2.gz RIQSQAHXTKUHAJ-SNVBAGLBSA-N 0 3 310.806 3.129 20 30 DGEDHN C=CCCC(C)(C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000852919738 620655492 /nfs/dbraw/zinc/65/54/92/620655492.db2.gz ANJBHOBYCQHJRB-ZDUSSCGKSA-N 0 3 309.841 3.294 20 30 DGEDHN CC(C)[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917102101 620656756 /nfs/dbraw/zinc/65/67/56/620656756.db2.gz XMZCDBXVIWBDKM-QWHCGFSZSA-N 0 3 315.442 3.449 20 30 DGEDHN OC1CCN(c2ccc(C=NOC3CCCCC3)cc2)CC1 ZINC000853334997 620687273 /nfs/dbraw/zinc/68/72/73/620687273.db2.gz FKYPGWYAIMFIOE-UHFFFAOYSA-N 0 3 302.418 3.331 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000918071330 620695180 /nfs/dbraw/zinc/69/51/80/620695180.db2.gz VPPCHCFUOBBEDF-SFHVURJKSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C(C)C ZINC000918057321 620695666 /nfs/dbraw/zinc/69/56/66/620695666.db2.gz KKMROAUPNFDPIT-SFHVURJKSA-N 0 3 317.477 3.458 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000853598902 620714567 /nfs/dbraw/zinc/71/45/67/620714567.db2.gz YCCQNBQWQQOITE-QRVBRYPASA-N 0 3 310.441 3.451 20 30 DGEDHN C#Cc1cccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000111717933 620750916 /nfs/dbraw/zinc/75/09/16/620750916.db2.gz RJWJGBBXGCJPAD-MRXNPFEDSA-N 0 3 321.424 3.310 20 30 DGEDHN N#Cc1cc(CN2CCCN(Cc3ccccc3)CC2)cs1 ZINC000891404987 617793278 /nfs/dbraw/zinc/79/32/78/617793278.db2.gz QEXKCOREBOADCP-UHFFFAOYSA-N 0 3 311.454 3.328 20 30 DGEDHN OC1CCN(Cc2ccccc2NCC#Cc2ccccc2)CC1 ZINC000892282545 618009220 /nfs/dbraw/zinc/00/92/20/618009220.db2.gz UPHDYUFBIXGPDM-UHFFFAOYSA-N 0 3 320.436 3.107 20 30 DGEDHN N#CC(C(=O)C1C[C@H]2CC[C@@H](C1)S2)c1nc2ccccc2[nH]1 ZINC000892420871 618062172 /nfs/dbraw/zinc/06/21/72/618062172.db2.gz ZDHKLNUMNUFHAI-WVMKXHBISA-N 0 3 311.410 3.413 20 30 DGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CC2)cc1 ZINC000892501596 618084295 /nfs/dbraw/zinc/08/42/95/618084295.db2.gz PFSFCTAJAGOKPA-MLGOLLRUSA-N 0 3 314.385 3.026 20 30 DGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000920115932 620785468 /nfs/dbraw/zinc/78/54/68/620785468.db2.gz PUKQCOQBRUXWCA-KBPBESRZSA-N 0 3 322.368 3.469 20 30 DGEDHN CCOc1ccc(/C=N/CCN(C)Cc2ccccc2)c(O)c1 ZINC000920173284 620789174 /nfs/dbraw/zinc/78/91/74/620789174.db2.gz BVWJQULXXJCYMB-XSFVSMFZSA-N 0 3 312.413 3.342 20 30 DGEDHN C#C[C@H](NCc1ccc(Br)cc1NC(C)=O)C(C)C ZINC000894388039 618301850 /nfs/dbraw/zinc/30/18/50/618301850.db2.gz ZEUDLYYXBLDAAZ-AWEZNQCLSA-N 0 3 323.234 3.155 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC3(CC3)C2)CC1 ZINC000892851958 618329474 /nfs/dbraw/zinc/32/94/74/618329474.db2.gz UAISFVQXIBPQHM-MRXNPFEDSA-N 0 3 305.466 3.049 20 30 DGEDHN CN(CCCN(C)Cc1ccco1)Cc1csc(C#N)c1 ZINC000894435492 618330126 /nfs/dbraw/zinc/33/01/26/618330126.db2.gz LSNWYMJWPCTFMH-UHFFFAOYSA-N 0 3 303.431 3.167 20 30 DGEDHN C=CCN1CCC(NC(=O)NC2(C3CCCCC3)CC2)CC1 ZINC000892857903 618331531 /nfs/dbraw/zinc/33/15/31/618331531.db2.gz MEKWNELSYTZGSM-UHFFFAOYSA-N 0 3 305.466 3.049 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CC(NCC(C)(C)C#N)C2)CC1 ZINC000926873469 618363367 /nfs/dbraw/zinc/36/33/67/618363367.db2.gz GDZULXNDAMEKHV-UHFFFAOYSA-N 0 3 321.465 3.305 20 30 DGEDHN Cc1noc2ncc(CN[C@H]3CCc4cc(C#N)ccc43)cc12 ZINC000894589488 618391677 /nfs/dbraw/zinc/39/16/77/618391677.db2.gz USJJKQHZJKFUPU-KRWDZBQOSA-N 0 3 304.353 3.180 20 30 DGEDHN C#C[C@@H](NC1CCC(C)(O)CC1)c1ccc(Br)cc1 ZINC000894667510 618416847 /nfs/dbraw/zinc/41/68/47/618416847.db2.gz GTVOXOGCFNCIOX-HWOWSKLDSA-N 0 3 322.246 3.407 20 30 DGEDHN C[C@]1(Br)C[C@H]1CNC1(c2cccc(C#N)c2)CC1 ZINC000893190165 618467630 /nfs/dbraw/zinc/46/76/30/618467630.db2.gz AHRSEMSYBUXXBW-KBPBESRZSA-N 0 3 305.219 3.310 20 30 DGEDHN C#C[C@H](N[C@H]1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000894871140 618484394 /nfs/dbraw/zinc/48/43/94/618484394.db2.gz RRLGUPPBTZHQSB-UGFHNGPFSA-N 0 3 308.219 3.281 20 30 DGEDHN C[C@@H](CC#N)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894984858 618507551 /nfs/dbraw/zinc/50/75/51/618507551.db2.gz MIOGJWKZOJJXEH-JTQLQIEISA-N 0 3 313.323 3.255 20 30 DGEDHN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)CC(C)(C)C#N ZINC000925615026 618509454 /nfs/dbraw/zinc/50/94/54/618509454.db2.gz DKQMAUUQJVHIFB-GJZGRUSLSA-N 0 3 322.474 3.157 20 30 DGEDHN Cc1noc2ncc(CNC(C)(C)c3cccc(C#N)c3)cc12 ZINC000895234764 618579342 /nfs/dbraw/zinc/57/93/42/618579342.db2.gz FRLYZKUOQIVEGQ-UHFFFAOYSA-N 0 3 306.369 3.428 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000895494373 618791339 /nfs/dbraw/zinc/79/13/39/618791339.db2.gz FRGHEUGIQTYMJY-XPKDYRNWSA-N 0 3 317.820 3.117 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccccc2OCCCC)CC1 ZINC000895669737 618815953 /nfs/dbraw/zinc/81/59/53/618815953.db2.gz JFPNDOIFPUYHTB-UHFFFAOYSA-N 0 3 301.430 3.216 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000895835467 618839711 /nfs/dbraw/zinc/83/97/11/618839711.db2.gz HCLIMZVORFASSZ-UHFFFAOYSA-N 0 3 301.430 3.378 20 30 DGEDHN C#CCOc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000896198703 618884227 /nfs/dbraw/zinc/88/42/27/618884227.db2.gz SHZCTTPUYAFDBJ-UHFFFAOYSA-N 0 3 321.424 3.170 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](C3OCCO3)C2)cc1Cl ZINC000896385392 618906384 /nfs/dbraw/zinc/90/63/84/618906384.db2.gz SIIZMANLCIFACW-AWEZNQCLSA-N 0 3 323.820 3.100 20 30 DGEDHN COC(=O)c1occc1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000896633121 618937705 /nfs/dbraw/zinc/93/77/05/618937705.db2.gz PWBZPNIWSOBTRT-UHFFFAOYSA-N 0 3 312.369 3.049 20 30 DGEDHN COc1ccc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 ZINC000896660743 618940790 /nfs/dbraw/zinc/94/07/90/618940790.db2.gz SNWYGIWZDRAXKB-KRWDZBQOSA-N 0 3 322.412 3.038 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000840708151 618981492 /nfs/dbraw/zinc/98/14/92/618981492.db2.gz DGMDOBWYHBDIIC-YQNUULROSA-N 0 3 314.433 3.022 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000897420367 619109320 /nfs/dbraw/zinc/10/93/20/619109320.db2.gz RUNZCTAEIBIZKS-DNVCBOLYSA-N 0 3 306.409 3.089 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000026331317 619143159 /nfs/dbraw/zinc/14/31/59/619143159.db2.gz SVLDKYCMORZWCO-QGZVFWFLSA-N 0 3 300.789 3.377 20 30 DGEDHN N#Cc1csc(CN[C@H]2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000897625547 619168588 /nfs/dbraw/zinc/16/85/88/619168588.db2.gz FDDPAGYYMRWAOQ-KGLIPLIRSA-N 0 3 305.447 3.090 20 30 DGEDHN COC(=O)CCC[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000897630103 619169106 /nfs/dbraw/zinc/16/91/06/619169106.db2.gz RBUIZVZCDQVQDL-STQMWFEESA-N 0 3 321.446 3.006 20 30 DGEDHN C=CC[C@H](CC)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897650759 619171302 /nfs/dbraw/zinc/17/13/02/619171302.db2.gz OBKUZYKMJYTANF-RDJZCZTQSA-N 0 3 304.434 3.205 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC1CC2(C1)CO[C@H](C)C2 ZINC000897779197 619181890 /nfs/dbraw/zinc/18/18/90/619181890.db2.gz NUGOCMQVAJNMNQ-WRSVWVKZSA-N 0 3 319.832 3.399 20 30 DGEDHN C[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1cc(C#N)ccn1 ZINC000902731951 619667448 /nfs/dbraw/zinc/66/74/48/619667448.db2.gz TVYYHMWARPMHDG-OXJNMPFZSA-N 0 3 320.440 3.441 20 30 DGEDHN C[C@H](NCCCN(C)c1ccccc1F)c1cc(C#N)ccn1 ZINC000902758032 619671293 /nfs/dbraw/zinc/67/12/93/619671293.db2.gz BLYTUKRYVFAQAD-AWEZNQCLSA-N 0 3 312.392 3.269 20 30 DGEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)N1CCc2ccccc2C1 ZINC000902770553 619673426 /nfs/dbraw/zinc/67/34/26/619673426.db2.gz PWTGMVVIOPUPLK-HZPDHXFCSA-N 0 3 320.440 3.051 20 30 DGEDHN Cc1cccc2oc(CCN[C@@H](C)c3cc(C#N)ccn3)nc21 ZINC000902826957 619679846 /nfs/dbraw/zinc/67/98/46/619679846.db2.gz HIRGITUYMOSYNZ-ZDUSSCGKSA-N 0 3 306.369 3.296 20 30 DGEDHN C[C@H](C[C@H](O)c1cccs1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902848950 619683848 /nfs/dbraw/zinc/68/38/48/619683848.db2.gz ZDNXZJFNQMWLTE-XUJVJEKNSA-N 0 3 301.415 3.178 20 30 DGEDHN C[C@H](NCCc1nc2c(s1)CCCC2)c1cc(C#N)ccn1 ZINC000902866457 619684029 /nfs/dbraw/zinc/68/40/29/619684029.db2.gz GSSWQMHXGAUULD-LBPRGKRZSA-N 0 3 312.442 3.182 20 30 DGEDHN CC[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1cccc(C#N)c1 ZINC000902950040 619696473 /nfs/dbraw/zinc/69/64/73/619696473.db2.gz DTMAVBZSCOLYRN-IBGZPJMESA-N 0 3 319.408 3.085 20 30 DGEDHN CC(C)[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)c1ccccc1 ZINC000902976335 619698501 /nfs/dbraw/zinc/69/85/01/619698501.db2.gz PCNOJTFPINYCGT-GDIGMMSISA-N 0 3 309.413 3.362 20 30 DGEDHN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902998523 619702946 /nfs/dbraw/zinc/70/29/46/619702946.db2.gz FKERCPUFXWPWSQ-HIFRSBDPSA-N 0 3 310.376 3.022 20 30 DGEDHN C[C@@H](NC[C@H]1CSc2ccccc2O1)c1cc(C#N)ccn1 ZINC000903035803 619705101 /nfs/dbraw/zinc/70/51/01/619705101.db2.gz VBNLPQUHEGIXQS-OCCSQVGLSA-N 0 3 311.410 3.157 20 30 DGEDHN CC(=O)OCc1cccc([C@H](C)NCc2ccc(C#N)cc2)c1 ZINC000903073697 619715316 /nfs/dbraw/zinc/71/53/16/619715316.db2.gz PTYKRERNYFAPBY-AWEZNQCLSA-N 0 3 308.381 3.472 20 30 DGEDHN C[C@H](NC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000903180338 619731430 /nfs/dbraw/zinc/73/14/30/619731430.db2.gz ZZZPOJQCQQPXBV-DRCTWCGVSA-N 0 3 316.298 3.458 20 30 DGEDHN CC[C@](O)(CCC(F)(F)F)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903256807 619745841 /nfs/dbraw/zinc/74/58/41/619745841.db2.gz QKLSAYCQXGQARV-FZMZJTMJSA-N 0 3 315.339 3.087 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2nonc2c1 ZINC000903324066 619755889 /nfs/dbraw/zinc/75/58/89/619755889.db2.gz GNAWQZSFYITQSW-MRXNPFEDSA-N 0 3 304.353 3.262 20 30 DGEDHN N#C[C@H]1CC[C@@H](NC2CN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000903345150 619760931 /nfs/dbraw/zinc/76/09/31/619760931.db2.gz DBMQWXFICWIGRD-WCQYABFASA-N 0 3 309.335 3.176 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(Br)cn1 ZINC000903325870 619761189 /nfs/dbraw/zinc/76/11/89/619761189.db2.gz WXTMMYIMZACRDI-DGCLKSJQSA-N 0 3 310.239 3.464 20 30 DGEDHN CCCCCCN([O-])C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000904207124 619893411 /nfs/dbraw/zinc/89/34/11/619893411.db2.gz RHKOZCXXOFJOHZ-HNNXBMFYSA-N 0 3 314.495 3.002 20 30 DGEDHN Cc1ccc(OC(F)F)c(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905081154 619968215 /nfs/dbraw/zinc/96/82/15/619968215.db2.gz PGNZRYRTZMPVJY-NJQKBMNKSA-N 0 3 305.284 3.029 20 30 DGEDHN CC1/C(=C/c2ccccc2OCC(F)(F)F)C(=O)c2ncnn21 ZINC000905081600 619968448 /nfs/dbraw/zinc/96/84/48/619968448.db2.gz RZFAIAOGNWTQPH-NJQKBMNKSA-N 0 3 323.274 3.060 20 30 DGEDHN Clc1cc(N=NC2C[C@H]3CCCN(C2)C3)c2cccnc2n1 ZINC000905497956 620004713 /nfs/dbraw/zinc/00/47/13/620004713.db2.gz RETWOZPNCPBOIE-LLVKDONJSA-N 0 3 315.808 3.167 20 30 DGEDHN CC(C)C1(c2ccccc2)CN(C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905957469 620047421 /nfs/dbraw/zinc/04/74/21/620047421.db2.gz BYESAPSUUUQHMT-GOSISDBHSA-N 0 3 312.457 3.341 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000911967438 620356911 /nfs/dbraw/zinc/35/69/11/620356911.db2.gz IDNPAAQWTUEGQU-SNVBAGLBSA-N 0 3 307.444 3.494 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000912143520 620369815 /nfs/dbraw/zinc/36/98/15/620369815.db2.gz LIXAHTHVJGWDOC-KGLIPLIRSA-N 0 3 308.422 3.162 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)ccc1OCCCC ZINC000912330958 620378714 /nfs/dbraw/zinc/37/87/14/620378714.db2.gz DKXIEELXYUPGCP-HNNXBMFYSA-N 0 3 320.433 3.496 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000912449112 620388243 /nfs/dbraw/zinc/38/82/43/620388243.db2.gz HFQYWPXPFNIAQB-HNNXBMFYSA-N 0 3 317.433 3.212 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCOCC(F)(F)F)c([O-])c1 ZINC000912782432 620406925 /nfs/dbraw/zinc/40/69/25/620406925.db2.gz SBLMZFIDUCLHQQ-GRSHGNNSSA-N 0 3 318.339 3.236 20 30 DGEDHN CCCCCCCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000914879854 620559305 /nfs/dbraw/zinc/55/93/05/620559305.db2.gz ULLVOTFEVKRLPN-QGZVFWFLSA-N 0 3 310.482 3.060 20 30 DGEDHN N#Cc1cc(CNC[C@@H](c2ccco2)N2CCCC2)cs1 ZINC000921474986 620859921 /nfs/dbraw/zinc/85/99/21/620859921.db2.gz NCFUQRSDFRGGHO-HNNXBMFYSA-N 0 3 301.415 3.139 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000113351353 620905203 /nfs/dbraw/zinc/90/52/03/620905203.db2.gz PTNHJEXCDJUSOQ-CQSZACIVSA-N 0 3 323.396 3.040 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 ZINC000888372301 620924046 /nfs/dbraw/zinc/92/40/46/620924046.db2.gz TWKORIHZQXEUPW-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN CC(C)(C)c1cn2c(n1)CC[C@@H](NCc1csc(C#N)c1)C2 ZINC000921646573 620926935 /nfs/dbraw/zinc/92/69/35/620926935.db2.gz XNVKLLUMJIISGY-CYBMUJFWSA-N 0 3 314.458 3.218 20 30 DGEDHN N#Cc1ccc(Br)c(CNC[C@@H]2CCCS2)c1 ZINC000921834214 620958080 /nfs/dbraw/zinc/95/80/80/620958080.db2.gz WRQKZYZXLOQFAG-LBPRGKRZSA-N 0 3 311.248 3.306 20 30 DGEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2csc(C#N)c2)cc1 ZINC000921961832 620974084 /nfs/dbraw/zinc/97/40/84/620974084.db2.gz WWAQLXHIANBFFD-SJCJKPOMSA-N 0 3 316.426 3.494 20 30 DGEDHN N#Cc1cc(CNC[C@H]2COC3(CCCCCC3)O2)cs1 ZINC000921972746 620975442 /nfs/dbraw/zinc/97/54/42/620975442.db2.gz IFRCWDYYVQXAFX-AWEZNQCLSA-N 0 3 306.431 3.175 20 30 DGEDHN CC(C)(C)OC(=O)NC1(CNCc2csc(C#N)c2)CCC1 ZINC000921992788 620978173 /nfs/dbraw/zinc/97/81/73/620978173.db2.gz YYPGBZKMVYRIKT-UHFFFAOYSA-N 0 3 321.446 3.157 20 30 DGEDHN C#Cc1cccc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)c1 ZINC000857077003 621055728 /nfs/dbraw/zinc/05/57/28/621055728.db2.gz GGOAIZKISSIWOB-LJQANCHMSA-N 0 3 304.393 3.255 20 30 DGEDHN COc1cnc(F)c(CNC(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000922604242 621066016 /nfs/dbraw/zinc/06/60/16/621066016.db2.gz QUOAPAXPTUWFCU-UHFFFAOYSA-N 0 3 313.376 3.212 20 30 DGEDHN C[C@H]1CN(C)c2ccccc2CN1Cc1ccc(OCC#N)cc1 ZINC000857566232 621096111 /nfs/dbraw/zinc/09/61/11/621096111.db2.gz YDLZTRWDVSQRBU-INIZCTEOSA-N 0 3 321.424 3.429 20 30 DGEDHN C=CCOc1ccccc1CNC[C@H]1CCC2(CCOCC2)O1 ZINC000922812746 621102490 /nfs/dbraw/zinc/10/24/90/621102490.db2.gz SNSYKBJUEUFTKC-QGZVFWFLSA-N 0 3 317.429 3.069 20 30 DGEDHN C=CCOCCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023177 621146522 /nfs/dbraw/zinc/14/65/22/621146522.db2.gz IHFVPSPPFFRKET-QGZVFWFLSA-N 0 3 302.418 3.005 20 30 DGEDHN Cc1ccc(O[C@H]2CCN(Cc3ccc(C#N)cc3C)C2)nc1 ZINC000858042209 621147522 /nfs/dbraw/zinc/14/75/22/621147522.db2.gz XTDVTVIXCWZWBN-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000858335620 621177523 /nfs/dbraw/zinc/17/75/23/621177523.db2.gz AIKRKADITOGTBN-GOEBONIOSA-N 0 3 305.418 3.000 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(-c2ccccc2OC)cc1 ZINC000858335232 621177526 /nfs/dbraw/zinc/17/75/26/621177526.db2.gz QBEOVFAKKRIJTQ-GOSISDBHSA-N 0 3 309.409 3.490 20 30 DGEDHN C=C(C)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000840792668 621224455 /nfs/dbraw/zinc/22/44/55/621224455.db2.gz NMQJOUXQNJQFCC-UHFFFAOYSA-N 0 3 317.502 3.081 20 30 DGEDHN COc1ccccc1OCCN(C)Cc1ccc(C)c(C#N)c1 ZINC000859087061 621247388 /nfs/dbraw/zinc/24/73/88/621247388.db2.gz VGOBMLZXGVTPJI-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN C#C[C@@H](NCc1ccccc1N1CCO[C@@H](C)C1)C(C)(C)C ZINC000839105626 621329794 /nfs/dbraw/zinc/32/97/94/621329794.db2.gz YGWRWLKGKBJMCJ-MAUKXSAKSA-N 0 3 300.446 3.049 20 30 DGEDHN CCN(CC)Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000839445769 621375557 /nfs/dbraw/zinc/37/55/57/621375557.db2.gz TXUUOSOAEZMZOR-ZIAGYGMSSA-N 0 3 304.390 3.361 20 30 DGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NC(C)C)c1cccc(Cl)c1 ZINC000860472800 621408505 /nfs/dbraw/zinc/40/85/05/621408505.db2.gz OURZECVFOIGWIY-CABCVRRESA-N 0 3 320.820 3.457 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000860779444 621442325 /nfs/dbraw/zinc/44/23/25/621442325.db2.gz BKFHFRSOIBPJGT-YPMHNXCESA-N 0 3 314.307 3.482 20 30 DGEDHN N#CC1(COC(=O)C23CC(C2)C3)CCN(Cc2ccccc2)CC1 ZINC000860856325 621451217 /nfs/dbraw/zinc/45/12/17/621451217.db2.gz GRSWJWMDZHDFER-UHFFFAOYSA-N 0 3 324.424 3.136 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CC(F)(F)C1 ZINC000753802928 621465859 /nfs/dbraw/zinc/46/58/59/621465859.db2.gz ROWRRHNTZOSBBI-NSHDSACASA-N 0 3 312.703 3.033 20 30 DGEDHN C#CCSCCNCc1cc(Cl)c(OC)cc1Cl ZINC000754065826 621484292 /nfs/dbraw/zinc/48/42/92/621484292.db2.gz RIANDYWIAVUNRH-UHFFFAOYSA-N 0 3 304.242 3.458 20 30 DGEDHN Cc1ccc([C@@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000754663001 621522952 /nfs/dbraw/zinc/52/29/52/621522952.db2.gz OFIAZUBMCQCTEE-CQSZACIVSA-N 0 3 319.474 3.392 20 30 DGEDHN Cc1ccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)s1 ZINC000754660712 621523100 /nfs/dbraw/zinc/52/31/00/621523100.db2.gz FPFPWNVJQMPXEM-ZDUSSCGKSA-N 0 3 305.447 3.050 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861719424 621534503 /nfs/dbraw/zinc/53/45/03/621534503.db2.gz HYXAJIUFYHVDKJ-RCCFBDPRSA-N 0 3 324.509 3.041 20 30 DGEDHN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000755602184 621580233 /nfs/dbraw/zinc/58/02/33/621580233.db2.gz LNZDOCULDYNRTB-HOCLYGCPSA-N 0 3 314.429 3.474 20 30 DGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863031918 621634148 /nfs/dbraw/zinc/63/41/48/621634148.db2.gz KJBFAOZFDZOEIL-IAGOWNOFSA-N 0 3 323.481 3.091 20 30 DGEDHN COc1cc(C(C)=NNc2ccnc(C)c2)ccc1SC ZINC000863159028 621643317 /nfs/dbraw/zinc/64/33/17/621643317.db2.gz ZXLQIJWQKCJPDG-UHFFFAOYSA-N 0 3 301.415 3.379 20 30 DGEDHN C#CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000756997856 621678176 /nfs/dbraw/zinc/67/81/76/621678176.db2.gz OTSWSHQSLYQSTA-NRFANRHFSA-N 0 3 320.436 3.377 20 30 DGEDHN C#CC[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000756998718 621678389 /nfs/dbraw/zinc/67/83/89/621678389.db2.gz ZZSMMTOYSGCXIS-LJQANCHMSA-N 0 3 302.381 3.122 20 30 DGEDHN CCNC(=O)OC[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000839601246 621698367 /nfs/dbraw/zinc/69/83/67/621698367.db2.gz JMQOTDPMWFBAAQ-INIZCTEOSA-N 0 3 321.465 3.451 20 30 DGEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000119749750 621721815 /nfs/dbraw/zinc/72/18/15/621721815.db2.gz QEVGELSOZBNXLH-UHFFFAOYSA-N 0 3 320.864 3.424 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000757856010 621743265 /nfs/dbraw/zinc/74/32/65/621743265.db2.gz LVAREZFPUUMTFF-JHJVBQTASA-N 0 3 313.426 3.345 20 30 DGEDHN C#CCNC(=S)Nc1ccc2c(c1)CN([C@@H](C)CCC)C2 ZINC000758214286 621767608 /nfs/dbraw/zinc/76/76/08/621767608.db2.gz FROCQHQEZUKMTF-ZDUSSCGKSA-N 0 3 301.459 3.110 20 30 DGEDHN N#CC(C(=O)CCc1ccccn1)c1ccc2ccccc2n1 ZINC000759187069 621833589 /nfs/dbraw/zinc/83/35/89/621833589.db2.gz ISNVXKNHVNYYLK-MRXNPFEDSA-N 0 3 301.349 3.439 20 30 DGEDHN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)C(C#N)c1ccncn1 ZINC000760332560 621932877 /nfs/dbraw/zinc/93/28/77/621932877.db2.gz HCOKNCZODKSCEY-NHIYQJMISA-N 0 3 301.390 3.027 20 30 DGEDHN CC[C@H](C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760334523 621932908 /nfs/dbraw/zinc/93/29/08/621932908.db2.gz PAFVAWJIHCZMSL-ZFWWWQNUSA-N 0 3 309.369 3.245 20 30 DGEDHN C#CCCc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000762013915 622045946 /nfs/dbraw/zinc/04/59/46/622045946.db2.gz MEHZYDMVWXOGJW-HNNXBMFYSA-N 0 3 313.376 3.154 20 30 DGEDHN C=CCC[C@H](NC[C@H]1CC2(CO1)CCOCC2)c1ccco1 ZINC000866533154 622133604 /nfs/dbraw/zinc/13/36/04/622133604.db2.gz OOGIWDPJVCRWTC-CVEARBPZSA-N 0 3 305.418 3.462 20 30 DGEDHN COC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000866596341 622143903 /nfs/dbraw/zinc/14/39/03/622143903.db2.gz DTNSQVNCCYJQPM-CQDKDKBSSA-N 0 3 323.234 3.418 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)c1 ZINC000121664407 622170953 /nfs/dbraw/zinc/17/09/53/622170953.db2.gz HHZMJDHEVQBFGK-AWEZNQCLSA-N 0 3 302.374 3.169 20 30 DGEDHN CCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764207649 622184051 /nfs/dbraw/zinc/18/40/51/622184051.db2.gz CWXSGEPMTLISGY-MRXNPFEDSA-N 0 3 301.434 3.362 20 30 DGEDHN CC1(C)[C@H](N)c2ccccc2N1C(=O)c1sccc1CC#N ZINC000867988206 622200980 /nfs/dbraw/zinc/20/09/80/622200980.db2.gz WVEXBMPOXJERBM-OAHLLOKOSA-N 0 3 311.410 3.253 20 30 DGEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000805308140 622276013 /nfs/dbraw/zinc/27/60/13/622276013.db2.gz ADEGYJAVMLIVFZ-CZUORRHYSA-N 0 3 321.852 3.044 20 30 DGEDHN C=CC[C@@H]1N(C(=S)NC2CCN(C)CC2)CCCC1(C)C ZINC000766526769 622336850 /nfs/dbraw/zinc/33/68/50/622336850.db2.gz YDCIFCJTSQZYGJ-HNNXBMFYSA-N 0 3 309.523 3.022 20 30 DGEDHN C#CCN1CCC(C(=O)NCC[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000767027864 622370230 /nfs/dbraw/zinc/37/02/30/622370230.db2.gz FEBDCVOXCLYCLL-IRXDYDNUSA-N 0 3 318.505 3.300 20 30 DGEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccc2ccccc2n1 ZINC000870122650 622435165 /nfs/dbraw/zinc/43/51/65/622435165.db2.gz MDRNPENKMFTCFH-GVDBMIGSSA-N 0 3 320.392 3.474 20 30 DGEDHN C#CCOc1ccccc1CN1CCCN(c2ccccc2)CC1 ZINC000768999886 622491288 /nfs/dbraw/zinc/49/12/88/622491288.db2.gz QTOAESIWSFRYCB-UHFFFAOYSA-N 0 3 320.436 3.411 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000769311963 622516606 /nfs/dbraw/zinc/51/66/06/622516606.db2.gz OHYKEJZWOVGVAI-DOTOQJQBSA-N 0 3 310.401 3.011 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc3c(c2)COC3)cc1 ZINC000769928469 622578144 /nfs/dbraw/zinc/57/81/44/622578144.db2.gz QFJPQGRSANYTPM-UHFFFAOYSA-N 0 3 307.393 3.409 20 30 DGEDHN CC[C@H](NCC(C)(C)CC#N)C(=O)N(C)c1ccc(C)cc1 ZINC000871887191 622732126 /nfs/dbraw/zinc/73/21/26/622732126.db2.gz ZKOWOTAIHIUSIT-INIZCTEOSA-N 0 3 301.434 3.266 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259400 622734403 /nfs/dbraw/zinc/73/44/03/622734403.db2.gz ZPNIKWFPINADFT-OOPCZODUSA-N 0 3 312.760 3.032 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645179 622922746 /nfs/dbraw/zinc/92/27/46/622922746.db2.gz WMJSHDSFMVFFDO-HSBHDXMMSA-N 0 3 312.760 3.032 20 30 DGEDHN COc1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1C#N ZINC000773073725 622977973 /nfs/dbraw/zinc/97/79/73/622977973.db2.gz FAPMKFSYLUKFMB-AWEZNQCLSA-N 0 3 309.413 3.484 20 30 DGEDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000773077587 622978764 /nfs/dbraw/zinc/97/87/64/622978764.db2.gz SCTNHCFLPDNJJH-ZDUSSCGKSA-N 0 3 308.381 3.448 20 30 DGEDHN C#CC[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000773107400 622984980 /nfs/dbraw/zinc/98/49/80/622984980.db2.gz NTTNWCHSXAAYLS-HNAYVOBHSA-N 0 3 317.396 3.078 20 30 DGEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000773767211 623070964 /nfs/dbraw/zinc/07/09/64/623070964.db2.gz ACPZLAWWWBJQOO-OCCSQVGLSA-N 0 3 304.415 3.174 20 30 DGEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773977240 623094879 /nfs/dbraw/zinc/09/48/79/623094879.db2.gz VLQHDOGOZHYDPF-UKRRQHHQSA-N 0 3 300.402 3.084 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NOC1CCOCC1 ZINC000774454333 623147836 /nfs/dbraw/zinc/14/78/36/623147836.db2.gz XNSCVRJFXUBBIY-COTUAXAZSA-N 0 3 300.402 3.479 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC[C@@H]2OC)c([O-])c1 ZINC000774542957 623158781 /nfs/dbraw/zinc/15/87/81/623158781.db2.gz SEXGAYBEBGFTGU-DRZPYTGRSA-N 0 3 304.434 3.472 20 30 DGEDHN C[C@@H](NC[C@H](O)c1cc(F)ccc1F)c1cccc(C#N)c1 ZINC000775338887 623256429 /nfs/dbraw/zinc/25/64/29/623256429.db2.gz UIVRTOJKPKBOSV-DIFFPNOSSA-N 0 3 302.324 3.221 20 30 DGEDHN C=C(CC)CN[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775359304 623259544 /nfs/dbraw/zinc/25/95/44/623259544.db2.gz WODOCYYGRIMNBZ-CQSZACIVSA-N 0 3 306.425 3.404 20 30 DGEDHN CC(C)(C)C[C@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000775453437 623276949 /nfs/dbraw/zinc/27/69/49/623276949.db2.gz DVXGMSIHRCCHHK-HNNXBMFYSA-N 0 3 321.852 3.437 20 30 DGEDHN C#C[C@H](N[C@@H](C)c1ccc(-n2ccnc2C)cc1)[C@H]1CCCO1 ZINC000775573070 623292006 /nfs/dbraw/zinc/29/20/06/623292006.db2.gz FUOBEAKROBDSJT-ZOCIIQOWSA-N 0 3 309.413 3.012 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000875247013 623430977 /nfs/dbraw/zinc/43/09/77/623430977.db2.gz GVOPLLZAVLPQAD-HOTGVXAUSA-N 0 3 319.493 3.105 20 30 DGEDHN C[C@H](NCc1cccnc1-n1ccnc1)c1ccc(C#N)c(F)c1 ZINC000776727011 623456116 /nfs/dbraw/zinc/45/61/16/623456116.db2.gz RCYHQWHJYQURPC-ZDUSSCGKSA-N 0 3 321.359 3.129 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000778176760 623620281 /nfs/dbraw/zinc/62/02/81/623620281.db2.gz MPAQBYWMTMYVMM-ZIAGYGMSSA-N 0 3 318.848 3.067 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC000876548267 623640762 /nfs/dbraw/zinc/64/07/62/623640762.db2.gz ZWVJNIGUONPKFV-AWEZNQCLSA-N 0 3 324.808 3.052 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000876557754 623643628 /nfs/dbraw/zinc/64/36/28/623643628.db2.gz CYFPLTWDBUDCHW-MRVPVSSYSA-N 0 3 306.765 3.410 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CC(=C)Cl ZINC000876560097 623644618 /nfs/dbraw/zinc/64/46/18/623644618.db2.gz FNBSQUYLPMWEOJ-LLVKDONJSA-N 0 3 319.257 3.386 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000876577127 623649651 /nfs/dbraw/zinc/64/96/51/623649651.db2.gz RDVKYZORTZYLED-AAEUAGOBSA-N 0 3 306.793 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000876577128 623649787 /nfs/dbraw/zinc/64/97/87/623649787.db2.gz RDVKYZORTZYLED-DGCLKSJQSA-N 0 3 306.793 3.422 20 30 DGEDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)n1 ZINC000876584239 623651297 /nfs/dbraw/zinc/65/12/97/623651297.db2.gz FEPFMOBBSSCKHZ-UHFFFAOYSA-N 0 3 308.429 3.430 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000876587600 623652161 /nfs/dbraw/zinc/65/21/61/623652161.db2.gz SOENRGXDUBHJNK-MFKMUULPSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000876590653 623653468 /nfs/dbraw/zinc/65/34/68/623653468.db2.gz ZXWRXMUKHWIZJS-GXTWGEPZSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000876593352 623654904 /nfs/dbraw/zinc/65/49/04/623654904.db2.gz UHZGBNWTIAVBTC-GFCCVEGCSA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000876605719 623657694 /nfs/dbraw/zinc/65/76/94/623657694.db2.gz PAEFCURMEOTSIH-LBPRGKRZSA-N 0 3 321.635 3.422 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(c2ccccn2)CC1 ZINC000876637663 623665662 /nfs/dbraw/zinc/66/56/62/623665662.db2.gz YKBFZIDLSIYARM-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000876641964 623667822 /nfs/dbraw/zinc/66/78/22/623667822.db2.gz WAUHDMJRTIOVFS-NSHDSACASA-N 0 3 300.761 3.021 20 30 DGEDHN CC(C)OCCNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000778552970 623668283 /nfs/dbraw/zinc/66/82/83/623668283.db2.gz XXRQZCLTSSROLH-SKJPKOHOSA-N 0 3 301.434 3.298 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000876659062 623673484 /nfs/dbraw/zinc/67/34/84/623673484.db2.gz MJRQVBYQXMWGPV-JSGCOSHPSA-N 0 3 313.228 3.126 20 30 DGEDHN N#Cc1cccc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)n1 ZINC000876661767 623673507 /nfs/dbraw/zinc/67/35/07/623673507.db2.gz HGFILWHYSJTYQQ-OALUTQOASA-N 0 3 307.397 3.041 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000876670273 623676280 /nfs/dbraw/zinc/67/62/80/623676280.db2.gz BFULOMPPVIAXHJ-NZVBXONLSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 ZINC000876686242 623681958 /nfs/dbraw/zinc/68/19/58/623681958.db2.gz SUJACHIANHFHKU-CVEARBPZSA-N 0 3 308.853 3.244 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)cc1OCC ZINC000876688511 623683010 /nfs/dbraw/zinc/68/30/10/623683010.db2.gz ZTYJZERVHVZAPP-JTQLQIEISA-N 0 3 303.189 3.147 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1O[C@@H](C)CC ZINC000876692295 623683941 /nfs/dbraw/zinc/68/39/41/623683941.db2.gz PUWJJRFDGOSQAN-DZGCQCFKSA-N 0 3 324.852 3.258 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000876691033 623683965 /nfs/dbraw/zinc/68/39/65/623683965.db2.gz YFKVTESSCSCPNC-GJZGRUSLSA-N 0 3 310.800 3.349 20 30 DGEDHN CC[C@@H](CC#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805928433 625674269 /nfs/dbraw/zinc/67/42/69/625674269.db2.gz MOMXSMGIJFINQV-KRWDZBQOSA-N 0 3 300.402 3.134 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(C#N)cc1 ZINC000779123146 623732483 /nfs/dbraw/zinc/73/24/83/623732483.db2.gz XYCQEBRDOXYLOH-UHFFFAOYSA-N 0 3 300.402 3.254 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000876881781 623735439 /nfs/dbraw/zinc/73/54/39/623735439.db2.gz PBSLHINLYJBNAZ-NCOADZHNSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000876906823 623741328 /nfs/dbraw/zinc/74/13/28/623741328.db2.gz IRNCMNRSZSSBAM-CVEARBPZSA-N 0 3 306.837 3.383 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(cccc2C(C)C)C1 ZINC000876909522 623742030 /nfs/dbraw/zinc/74/20/30/623742030.db2.gz AISSWZALLWIQML-MRXNPFEDSA-N 0 3 306.837 3.165 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000876986753 623759620 /nfs/dbraw/zinc/75/96/20/623759620.db2.gz KGMJBEKBJJQYJT-INIZCTEOSA-N 0 3 319.836 3.013 20 30 DGEDHN C=CC[C@@H](C)NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877036604 623772231 /nfs/dbraw/zinc/77/22/31/623772231.db2.gz RMUMIMFIOJRXAQ-GFCCVEGCSA-N 0 3 323.437 3.489 20 30 DGEDHN C=CC[C@H](NCc1cccn(C(F)F)c1=O)c1ccncc1 ZINC000877047136 623775655 /nfs/dbraw/zinc/77/56/55/623775655.db2.gz XYQLAHIPWIUUCL-AWEZNQCLSA-N 0 3 305.328 3.045 20 30 DGEDHN Cc1nc(CCNCc2cc(C#N)cnc2Cl)sc1C ZINC000877108698 623792478 /nfs/dbraw/zinc/79/24/78/623792478.db2.gz RYVKBHNYKHKFOD-UHFFFAOYSA-N 0 3 306.822 3.012 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000779910075 623831384 /nfs/dbraw/zinc/83/13/84/623831384.db2.gz MCZCINZXPVZDSP-QGZVFWFLSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C(C)(C)C)s1 ZINC000877306453 623846322 /nfs/dbraw/zinc/84/63/22/623846322.db2.gz RFDLVOFXXWFWKZ-LLVKDONJSA-N 0 3 300.855 3.132 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCCc2ccccc2F)c1 ZINC000877492291 623909900 /nfs/dbraw/zinc/90/99/00/623909900.db2.gz UFVHKUUQPPVQCR-UHFFFAOYSA-N 0 3 303.768 3.468 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000780364729 623917115 /nfs/dbraw/zinc/91/71/15/623917115.db2.gz NFIOZNZHLQDSNF-IBGZPJMESA-N 0 3 312.457 3.351 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CC23CCSCC3)c1 ZINC000877594348 623955494 /nfs/dbraw/zinc/95/54/94/623955494.db2.gz FWCIWOBCEPNUOE-CYBMUJFWSA-N 0 3 307.850 3.230 20 30 DGEDHN Cc1scc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1C ZINC000877609055 623960614 /nfs/dbraw/zinc/96/06/14/623960614.db2.gz DUXUSVATUIBZRX-KRWDZBQOSA-N 0 3 300.427 3.402 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000780634722 623961883 /nfs/dbraw/zinc/96/18/83/623961883.db2.gz RFEXQBBILAURGG-IEBWSBKVSA-N 0 3 312.457 3.349 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000877617898 623963987 /nfs/dbraw/zinc/96/39/87/623963987.db2.gz ZALWFMYBHHIHOR-CABCVRRESA-N 0 3 305.809 3.044 20 30 DGEDHN COC(=O)c1cccc2c(CN3CCC[C@H](CC#N)C3)ccnc12 ZINC000877622480 623966272 /nfs/dbraw/zinc/96/62/72/623966272.db2.gz OHJPJPVJSDFJDD-CQSZACIVSA-N 0 3 323.396 3.147 20 30 DGEDHN C#C[C@H](NCc1ccc2ccc(F)c(F)c2n1)C1CCOCC1 ZINC000877638186 623973108 /nfs/dbraw/zinc/97/31/08/623973108.db2.gz UKEXPEUTVALKJB-INIZCTEOSA-N 0 3 316.351 3.031 20 30 DGEDHN C=CC[C@H]1CCN(Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000877651422 623978642 /nfs/dbraw/zinc/97/86/42/623978642.db2.gz XWWTVLSLLGAWHZ-ZDUSSCGKSA-N 0 3 318.421 3.222 20 30 DGEDHN Cc1cccc([O-])c1C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000877681761 623990307 /nfs/dbraw/zinc/99/03/07/623990307.db2.gz CCJUOVJIQXMHNQ-UHFFFAOYSA-N 0 3 321.424 3.331 20 30 DGEDHN Cc1nc2ccccc2nc1CN(C)CCc1cccc(C#N)c1 ZINC000877703943 623998361 /nfs/dbraw/zinc/99/83/61/623998361.db2.gz CECUPTKWAXGVGW-UHFFFAOYSA-N 0 3 316.408 3.484 20 30 DGEDHN CN(CCC#N)c1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC000877703735 623999027 /nfs/dbraw/zinc/99/90/27/623999027.db2.gz ROOCACYFQROIMU-UHFFFAOYSA-N 0 3 307.397 3.258 20 30 DGEDHN CN(CCC#N)c1ccc(C[N@@H+]2Cc3cccc([O-])c3C2)cc1 ZINC000877703735 623999031 /nfs/dbraw/zinc/99/90/31/623999031.db2.gz ROOCACYFQROIMU-UHFFFAOYSA-N 0 3 307.397 3.258 20 30 DGEDHN CN(CCC#N)c1ccc(C[N@H+]2Cc3cccc([O-])c3C2)cc1 ZINC000877703735 623999034 /nfs/dbraw/zinc/99/90/34/623999034.db2.gz ROOCACYFQROIMU-UHFFFAOYSA-N 0 3 307.397 3.258 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000781422364 624069193 /nfs/dbraw/zinc/06/91/93/624069193.db2.gz XIYDAIRQXDQLRN-PIGZYNQJSA-N 0 3 302.324 3.221 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCCOC1 ZINC000781448749 624071809 /nfs/dbraw/zinc/07/18/09/624071809.db2.gz FYVXFANERLZXNZ-BDJLRTHQSA-N 0 3 300.383 3.289 20 30 DGEDHN Nc1ncc(C=NN(Cc2ccccc2)c2ccccc2)cn1 ZINC000781575131 624096293 /nfs/dbraw/zinc/09/62/93/624096293.db2.gz PRXPAOZWPUGPDY-UHFFFAOYSA-N 0 3 303.369 3.100 20 30 DGEDHN COC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCC1 ZINC000781772668 624144562 /nfs/dbraw/zinc/14/45/62/624144562.db2.gz UWNGXTQTKKUSCR-JTQLQIEISA-N 0 3 319.311 3.177 20 30 DGEDHN N#CCOc1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000782160070 624211735 /nfs/dbraw/zinc/21/17/35/624211735.db2.gz IIRHDPWCJNIKHB-UHFFFAOYSA-N 0 3 322.412 3.060 20 30 DGEDHN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CC1(CC#N)CC1 ZINC000878530574 624299308 /nfs/dbraw/zinc/29/93/08/624299308.db2.gz XJHJLWUFHOZJDG-AWEZNQCLSA-N 0 3 313.401 3.330 20 30 DGEDHN C#CCCCCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000878548546 624305230 /nfs/dbraw/zinc/30/52/30/624305230.db2.gz YIQLOVFHDGZJFO-SJLPKXTDSA-N 0 3 321.486 3.252 20 30 DGEDHN COc1ccc([C@H](O)C2CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000878635886 624326689 /nfs/dbraw/zinc/32/66/89/624326689.db2.gz SPFBUAMZKJXVMF-SFHVURJKSA-N 0 3 314.429 3.134 20 30 DGEDHN N#CCC1(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC000878802096 624362367 /nfs/dbraw/zinc/36/23/67/624362367.db2.gz AWKBUTJNCWBBBO-QGZVFWFLSA-N 0 3 304.821 3.317 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000783532683 624362455 /nfs/dbraw/zinc/36/24/55/624362455.db2.gz TVCVEXUPOCYSDI-GOSISDBHSA-N 0 3 321.486 3.378 20 30 DGEDHN C=CC[C@@H](C)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000879011694 624408551 /nfs/dbraw/zinc/40/85/51/624408551.db2.gz JUBONBDKNLXQIZ-GFCCVEGCSA-N 0 3 301.365 3.414 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000879258388 624468246 /nfs/dbraw/zinc/46/82/46/624468246.db2.gz ZQJRANKUHDKZCK-OAHLLOKOSA-N 0 3 315.461 3.326 20 30 DGEDHN CCCCC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000784348290 624507087 /nfs/dbraw/zinc/50/70/87/624507087.db2.gz YBHVXSZVPABOGC-QGZVFWFLSA-N 0 3 313.445 3.460 20 30 DGEDHN N#Cc1ccc(CNC2(CO)CCCCCCC2)c([N+](=O)[O-])c1 ZINC000879498294 624567989 /nfs/dbraw/zinc/56/79/89/624567989.db2.gz OUICPIAMSLDSOJ-UHFFFAOYSA-N 0 3 317.389 3.031 20 30 DGEDHN COC[C@@H](N[C@H](C)CCC#N)c1cccc(Br)c1 ZINC000879663714 624631965 /nfs/dbraw/zinc/63/19/65/624631965.db2.gz QZTRFGBUYMUIAR-BXUZGUMPSA-N 0 3 311.223 3.418 20 30 DGEDHN CC(=NNC1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000786042850 624785163 /nfs/dbraw/zinc/78/51/63/624785163.db2.gz BGBURASOZYWLCF-UHFFFAOYSA-N 0 3 301.434 3.170 20 30 DGEDHN CC(C)(O)[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000880145434 624809029 /nfs/dbraw/zinc/80/90/29/624809029.db2.gz JVLDDKBAFJVUKM-OAHLLOKOSA-N 0 3 311.347 3.150 20 30 DGEDHN C=CC[C@H](C)N1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880217126 624848430 /nfs/dbraw/zinc/84/84/30/624848430.db2.gz OLLOWXQJDNLYAQ-MPGHIAIKSA-N 0 3 324.465 3.051 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533799 624913227 /nfs/dbraw/zinc/91/32/27/624913227.db2.gz GURBOKBDZSTBHW-AWEZNQCLSA-N 0 3 304.777 3.021 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000786538546 624915062 /nfs/dbraw/zinc/91/50/62/624915062.db2.gz GBBJDOWVDZUWGG-ZBFHGGJFSA-N 0 3 314.429 3.392 20 30 DGEDHN O=C(CCN1CCc2ccccc2C1)OCC#Cc1ccccc1 ZINC000786816589 624955909 /nfs/dbraw/zinc/95/59/09/624955909.db2.gz MEUDPUPCWPPKNN-UHFFFAOYSA-N 0 3 319.404 3.030 20 30 DGEDHN C#CCC1(O)CCN(Cc2cc(C(C)C)ccc2OC)CC1 ZINC000880482384 624965303 /nfs/dbraw/zinc/96/53/03/624965303.db2.gz HKUBENAPEIVLLU-UHFFFAOYSA-N 0 3 301.430 3.169 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)Cc1ccc(C)o1)c1ccccc1 ZINC000787035373 624972933 /nfs/dbraw/zinc/97/29/33/624972933.db2.gz LUHVGJBQOOIBQN-SJORKVTESA-N 0 3 324.380 3.107 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)C1CC(F)(F)C1)c1ccccc1 ZINC000787046142 624973803 /nfs/dbraw/zinc/97/38/03/624973803.db2.gz NQZQHYXDYVRAAA-KGLIPLIRSA-N 0 3 320.339 3.008 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCC(C)(F)F)c1ccccc1 ZINC000787042053 624974082 /nfs/dbraw/zinc/97/40/82/624974082.db2.gz SBMNQZDDOKPDLC-KGLIPLIRSA-N 0 3 322.355 3.398 20 30 DGEDHN CC(C)[C@]1(C)C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787061854 624975406 /nfs/dbraw/zinc/97/54/06/624975406.db2.gz SHQLTASNVCNFRX-FCEWJHQRSA-N 0 3 312.413 3.036 20 30 DGEDHN CCC[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787079042 624976352 /nfs/dbraw/zinc/97/63/52/624976352.db2.gz ODWANGBKQOXZCG-DLBZAZTESA-N 0 3 314.429 3.426 20 30 DGEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788794819 625268578 /nfs/dbraw/zinc/26/85/78/625268578.db2.gz JFINZXMHPUJNAK-GTNSWQLSSA-N 0 3 322.368 3.387 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1COCc2cccc(Cl)c21 ZINC000788801166 625270072 /nfs/dbraw/zinc/27/00/72/625270072.db2.gz LAAMOUSOKCQJLM-NUTKFTJISA-N 0 3 307.821 3.482 20 30 DGEDHN N#CC(C(=O)CCc1cccnc1)c1nccc2ccccc21 ZINC000792105118 625910152 /nfs/dbraw/zinc/91/01/52/625910152.db2.gz ZVZUBUVIZXTOBT-KRWDZBQOSA-N 0 3 301.349 3.439 20 30 DGEDHN CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000792227892 625927923 /nfs/dbraw/zinc/92/79/23/625927923.db2.gz ADVATWGRSQGRBQ-UHFFFAOYSA-N 0 3 321.396 3.044 20 30 DGEDHN C=CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000883185776 625960179 /nfs/dbraw/zinc/96/01/79/625960179.db2.gz DPUPVROXJHDXGS-WBVHZDCISA-N 0 3 320.389 3.207 20 30 DGEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCO[C@@H](C)C#N ZINC000796245467 626031886 /nfs/dbraw/zinc/03/18/86/626031886.db2.gz FSZJYMMITCZSGD-ZOBUZTSGSA-N 0 3 302.418 3.397 20 30 DGEDHN Cc1cncc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000796775969 626081372 /nfs/dbraw/zinc/08/13/72/626081372.db2.gz SBAGTKCXEYDUCG-AWEZNQCLSA-N 0 3 305.337 3.340 20 30 DGEDHN C[C@]1(COC(=O)c2ccc(C#N)o2)CCCN1Cc1ccccc1 ZINC000796942134 626097893 /nfs/dbraw/zinc/09/78/93/626097893.db2.gz ICTNVSGIUFRUKW-LJQANCHMSA-N 0 3 324.380 3.363 20 30 DGEDHN CCN1CCCC[C@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567959 626153839 /nfs/dbraw/zinc/15/38/39/626153839.db2.gz DJDOZDVMOUKEMI-STQMWFEESA-N 0 3 319.474 3.491 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000800410601 626357688 /nfs/dbraw/zinc/35/76/88/626357688.db2.gz XVDJLTQXXHBSLE-HOCLYGCPSA-N 0 3 300.402 3.146 20 30 DGEDHN Cn1cc(-c2ccc(CNCc3ccc(C#N)cc3)s2)cn1 ZINC000800884616 626382601 /nfs/dbraw/zinc/38/26/01/626382601.db2.gz JJBAWFWTRRFXBZ-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000801929848 626426348 /nfs/dbraw/zinc/42/63/48/626426348.db2.gz WFQIYHCKCJTAQW-KGLIPLIRSA-N 0 3 315.442 3.404 20 30 DGEDHN C[C@H](C#N)OCCN(C)CCOc1ccccc1C(C)(C)C ZINC000801952580 626428160 /nfs/dbraw/zinc/42/81/60/626428160.db2.gz AUYWMHLAYPEZLV-OAHLLOKOSA-N 0 3 304.434 3.223 20 30 DGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000802797475 626573589 /nfs/dbraw/zinc/57/35/89/626573589.db2.gz WAZVHSJFUXVBQV-AAEUAGOBSA-N 0 3 322.355 3.116 20 30 DGEDHN C=CCC[C@@H](Cc1ccccc1)N[C@@H](C)c1nnnn1C1CC1 ZINC000883219410 626613196 /nfs/dbraw/zinc/61/31/96/626613196.db2.gz SGGQAKIWQFKFMG-HOCLYGCPSA-N 0 3 311.433 3.236 20 30 DGEDHN C=CCC[C@H](NCc1snnc1C)[C@H]1Cc2ccccc2O1 ZINC000883224938 626615041 /nfs/dbraw/zinc/61/50/41/626615041.db2.gz VZNDOSIOWJCXFP-GOEBONIOSA-N 0 3 315.442 3.275 20 30 DGEDHN CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(C#N)cc1 ZINC000883361732 626661722 /nfs/dbraw/zinc/66/17/22/626661722.db2.gz KAOJTRDQBMQUQL-RYUDHWBXSA-N 0 3 322.277 3.157 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CC3(CCOCC3)Oc3ccccc32)C1 ZINC000883386037 626668581 /nfs/dbraw/zinc/66/85/81/626668581.db2.gz YGONMXHBUVUHBN-BFYDXBDKSA-N 0 3 312.413 3.341 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000883389859 626670825 /nfs/dbraw/zinc/67/08/25/626670825.db2.gz ABJUTJQWWIVXAD-YPMHNXCESA-N 0 3 307.825 3.204 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000883400215 626673585 /nfs/dbraw/zinc/67/35/85/626673585.db2.gz GZQWSPKFFDDYQC-CYBMUJFWSA-N 0 3 316.357 3.272 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000807620813 626763608 /nfs/dbraw/zinc/76/36/08/626763608.db2.gz QFWMPYJWSFSLNW-SJLPKXTDSA-N 0 3 315.461 3.255 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000807740050 626767262 /nfs/dbraw/zinc/76/72/62/626767262.db2.gz RYUXZKVYRLHSKV-MJGOQNOKSA-N 0 3 312.457 3.349 20 30 DGEDHN CCSCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000807981247 626781999 /nfs/dbraw/zinc/78/19/99/626781999.db2.gz FNENWRQAVZYQBG-GJZGRUSLSA-N 0 3 316.474 3.004 20 30 DGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000884044513 626809108 /nfs/dbraw/zinc/80/91/08/626809108.db2.gz LEJRRKPDKWMCBL-VOZQYIJBSA-N 0 3 324.211 3.071 20 30 DGEDHN C=CCCC[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC000884419199 626878244 /nfs/dbraw/zinc/87/82/44/626878244.db2.gz JYZHQEBNTYRRRZ-GVDBMIGSSA-N 0 3 304.409 3.024 20 30 DGEDHN C#Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000809595593 626924166 /nfs/dbraw/zinc/92/41/66/626924166.db2.gz OJLVQMAKPSFQOL-UHFFFAOYSA-N 0 3 319.452 3.340 20 30 DGEDHN C#Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000809603752 626925310 /nfs/dbraw/zinc/92/53/10/626925310.db2.gz VJRLCFSFGINSNJ-UHFFFAOYSA-N 0 3 313.784 3.382 20 30 DGEDHN C#Cc1ccc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000809653851 626933121 /nfs/dbraw/zinc/93/31/21/626933121.db2.gz IOQDFRNKGIHOHC-IBGZPJMESA-N 0 3 317.392 3.433 20 30 DGEDHN C#C[C@H](C)NCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000809683725 626935092 /nfs/dbraw/zinc/93/50/92/626935092.db2.gz MBTZTEKHQZDBSZ-INIZCTEOSA-N 0 3 319.408 3.333 20 30 DGEDHN C#C[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)C(C)(C)C ZINC000809781583 626952468 /nfs/dbraw/zinc/95/24/68/626952468.db2.gz WVOYCXPSGLSINS-ROUUACIJSA-N 0 3 301.430 3.382 20 30 DGEDHN Cc1ccc([C@@H](O)CNCc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000810145490 626980774 /nfs/dbraw/zinc/98/07/74/626980774.db2.gz BVSIUMIKLYTBNT-AWEZNQCLSA-N 0 3 324.302 3.302 20 30 DGEDHN C[C@@](O)(CNCc1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000810146077 626980809 /nfs/dbraw/zinc/98/08/09/626980809.db2.gz MXELFUJQGPFWQV-OAHLLOKOSA-N 0 3 324.302 3.167 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(Cl)c2C)CC1 ZINC000810295928 626998715 /nfs/dbraw/zinc/99/87/15/626998715.db2.gz GKDVAAHMYCJRCQ-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cccc(Cl)c1F ZINC000810528684 627012169 /nfs/dbraw/zinc/01/21/69/627012169.db2.gz WQVIJKGXAAGWHK-LBPRGKRZSA-N 0 3 324.783 3.037 20 30 DGEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)s1 ZINC000810529327 627012269 /nfs/dbraw/zinc/01/22/69/627012269.db2.gz DMGOFLVUSBGRQR-OAHLLOKOSA-N 0 3 318.442 3.147 20 30 DGEDHN C#CC[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000810750661 627045002 /nfs/dbraw/zinc/04/50/02/627045002.db2.gz NFYVGSYKELFRRD-APWZRJJASA-N 0 3 316.420 3.080 20 30 DGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@H](O)CC1(C#N)CCC1 ZINC000886120756 627108434 /nfs/dbraw/zinc/10/84/34/627108434.db2.gz MYLPWJHYNUPYHQ-JHJVBQTASA-N 0 3 304.356 3.094 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000886353731 627141641 /nfs/dbraw/zinc/14/16/41/627141641.db2.gz OEMPBGVNWLDWOV-ZIAGYGMSSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CCN(C(=O)c1cccc(-c2ccoc2)c1)C1CCN(C)CC1 ZINC000886579913 627167167 /nfs/dbraw/zinc/16/71/67/627167167.db2.gz NDZLPEVIYCTHSC-UHFFFAOYSA-N 0 3 322.408 3.116 20 30 DGEDHN CC[C@H](NCC(=O)NC1(C#N)CCC1)c1cccc2ccccc21 ZINC000886919323 627214106 /nfs/dbraw/zinc/21/41/06/627214106.db2.gz HSMCDSWDOPCARG-SFHVURJKSA-N 0 3 321.424 3.443 20 30 DGEDHN N#Cc1ccc(CNCC2(C3(O)CCC3)CCC2)c(Cl)c1 ZINC000886979750 627217541 /nfs/dbraw/zinc/21/75/41/627217541.db2.gz YLLYWVHSLCRQEY-UHFFFAOYSA-N 0 3 304.821 3.387 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000811523206 627287868 /nfs/dbraw/zinc/28/78/68/627287868.db2.gz BNWGCVVYIRNPFC-YJBOKZPZSA-N 0 3 324.424 3.049 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000811523204 627288046 /nfs/dbraw/zinc/28/80/46/627288046.db2.gz BNWGCVVYIRNPFC-MAUKXSAKSA-N 0 3 324.424 3.049 20 30 DGEDHN C=CCCCCCCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000811902721 627336021 /nfs/dbraw/zinc/33/60/21/627336021.db2.gz SWQHPZDIVKGITN-MRXNPFEDSA-N 0 3 307.482 3.463 20 30 DGEDHN C#C[C@H](NC(=O)[C@H]1CCCN1CCC)c1ccc(Cl)cc1 ZINC000811947695 627339733 /nfs/dbraw/zinc/33/97/33/627339733.db2.gz MJVNIKGRWREVQX-JKSUJKDBSA-N 0 3 304.821 3.005 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000812353175 627373700 /nfs/dbraw/zinc/37/37/00/627373700.db2.gz HYQMAHIARVOOBQ-WMLDXEAASA-N 0 3 318.848 3.395 20 30 DGEDHN CC[C@](C)(OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216044 627468006 /nfs/dbraw/zinc/46/80/06/627468006.db2.gz FHCMNJBNOTVEOQ-MFKMUULPSA-N 0 3 300.280 3.092 20 30 DGEDHN CCc1ccc(C#CC(=O)Nc2ccccc2CN(C)C)cc1 ZINC000814483305 627570385 /nfs/dbraw/zinc/57/03/85/627570385.db2.gz FCFGOTIJZUOWSP-UHFFFAOYSA-N 0 3 306.409 3.301 20 30 DGEDHN COc1cc2c(cc1CN[C@@H](C)CC(C)(C)C#N)O[C@@H](C)C2 ZINC000924630881 627660145 /nfs/dbraw/zinc/66/01/45/627660145.db2.gz JKUJNISEBBGWTG-STQMWFEESA-N 0 3 302.418 3.437 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000924812844 627682914 /nfs/dbraw/zinc/68/29/14/627682914.db2.gz YCEOCNVYQPNUQH-CHWSQXEVSA-N 0 3 308.447 3.069 20 30 DGEDHN CC1(C)C[C@H](NN=C2CCCCc3ccc(N)cc32)CCO1 ZINC000817327392 627883652 /nfs/dbraw/zinc/88/36/52/627883652.db2.gz HSKQNPXRCQEIIS-OAHLLOKOSA-N 0 3 301.434 3.247 20 30 DGEDHN CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000926753175 627947024 /nfs/dbraw/zinc/94/70/24/627947024.db2.gz FRTSDRIGDMTTGF-WMLDXEAASA-N 0 3 301.434 3.036 20 30 DGEDHN C#CCN1CCC[C@@H](N[C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000926863622 627965629 /nfs/dbraw/zinc/96/56/29/627965629.db2.gz AOZDEOZMSQPKIE-DOTOQJQBSA-N 0 3 309.413 3.090 20 30 DGEDHN CCCCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000818106200 627995731 /nfs/dbraw/zinc/99/57/31/627995731.db2.gz XJXQBONEKKZUQU-DLBZAZTESA-N 0 3 301.434 3.445 20 30 DGEDHN COc1cc(C)ccc1[C@@H](C)NCCNc1ccc(C#N)cn1 ZINC000927165336 628030402 /nfs/dbraw/zinc/03/04/02/628030402.db2.gz POFRKRQWMYDALM-CQSZACIVSA-N 0 3 310.401 3.033 20 30 DGEDHN C#CCN(C)CCCNC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000818589058 628039425 /nfs/dbraw/zinc/03/94/25/628039425.db2.gz NLRWDLWMZNREIO-SOFGYWHQSA-N 0 3 312.457 3.285 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929162877 628218804 /nfs/dbraw/zinc/21/88/04/628218804.db2.gz UPPYQNUSTLJSHT-LSDHHAIUSA-N 0 3 312.335 3.490 20 30 DGEDHN C=CCN1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820658442 628283869 /nfs/dbraw/zinc/28/38/69/628283869.db2.gz NJSADASYFJLBNB-UHFFFAOYSA-N 0 3 313.760 3.450 20 30 DGEDHN CCC[C@@H](CN1CCC(C#N)(C(=O)OC)CC1)c1ccccc1 ZINC000824872854 628701656 /nfs/dbraw/zinc/70/16/56/628701656.db2.gz XMYCMFURNACUQU-KRWDZBQOSA-N 0 3 314.429 3.349 20 30 DGEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000825226896 628739513 /nfs/dbraw/zinc/73/95/13/628739513.db2.gz ODSRQCQDKJICPA-AWEZNQCLSA-N 0 3 322.408 3.486 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C#Cc2cccs2)C1 ZINC000825389412 628756471 /nfs/dbraw/zinc/75/64/71/628756471.db2.gz NJGPRWYQWUZZBL-NVXWUHKLSA-N 0 3 324.449 3.051 20 30 DGEDHN C#C[C@@H](N[C@@H](C)CC(C)(C)CC(=O)OC)c1ccc(F)cc1 ZINC000825955361 628814451 /nfs/dbraw/zinc/81/44/51/628814451.db2.gz LDYJDOYLROIYRK-XJKSGUPXSA-N 0 3 305.393 3.458 20 30 DGEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCCCC2)s1 ZINC000826667341 628870075 /nfs/dbraw/zinc/87/00/75/628870075.db2.gz MACNBJRYVPCDAG-CQSZACIVSA-N 0 3 317.458 3.147 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1cccs1 ZINC000121607005 628888384 /nfs/dbraw/zinc/88/83/84/628888384.db2.gz AYLKAMFMRNGDEE-STQMWFEESA-N 0 3 306.431 3.257 20 30 DGEDHN CC(C)(C)OC(=O)NC1CC(NCC2(C#N)CCCCC2)C1 ZINC000827383920 628954666 /nfs/dbraw/zinc/95/46/66/628954666.db2.gz LAIJUDNXKJQYKF-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN C#C[C@H](NCc1cnc(C2CCCC2)s1)C1CCOCC1 ZINC000827564633 628971209 /nfs/dbraw/zinc/97/12/09/628971209.db2.gz FAZRUTXRZOMOSM-INIZCTEOSA-N 0 3 304.459 3.319 20 30 DGEDHN C#C[C@H](NCc1cccc(OC(F)(F)F)c1)C1CCOCC1 ZINC000827569752 628971974 /nfs/dbraw/zinc/97/19/74/628971974.db2.gz FQOFGWIQBNQUBV-HNNXBMFYSA-N 0 3 313.319 3.103 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000829773480 629190382 /nfs/dbraw/zinc/19/03/82/629190382.db2.gz FHRNHAIHVPAGBM-HUUCEWRRSA-N 0 3 318.848 3.080 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000829769399 629190400 /nfs/dbraw/zinc/19/04/00/629190400.db2.gz UVCSLBITPIVZRJ-CABCVRRESA-N 0 3 318.848 3.253 20 30 DGEDHN COc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)ccc1C#N ZINC000831299360 629359744 /nfs/dbraw/zinc/35/97/44/629359744.db2.gz KDFGQMGSRLDKFM-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN CO[C@H]1C[C@@H](NCc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000831332018 629363398 /nfs/dbraw/zinc/36/33/98/629363398.db2.gz DARSCVCXYHUXPG-CABCVRRESA-N 0 3 308.809 3.145 20 30 DGEDHN C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000834902254 629803861 /nfs/dbraw/zinc/80/38/61/629803861.db2.gz GIMNGJMXXWVENM-AWEZNQCLSA-N 0 3 304.393 3.403 20 30 DGEDHN C[C@@H]1CCC(=NNC2=N[C@@H]3CCCC[C@H]3N2)c2sccc21 ZINC000834965865 629813595 /nfs/dbraw/zinc/81/35/95/629813595.db2.gz ILOBWEQQUDKSPS-RAIGVLPGSA-N 0 3 302.447 3.210 20 30 DGEDHN N#CC(C(=O)[C@H]1CC12CCSCC2)c1nc2ccccc2[nH]1 ZINC000835034391 629830660 /nfs/dbraw/zinc/83/06/60/629830660.db2.gz AJHRGTGPUGXNOT-VXGBXAGGSA-N 0 3 311.410 3.272 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000835060582 629840337 /nfs/dbraw/zinc/84/03/37/629840337.db2.gz BMLMGTNIDNTFLI-JHJVBQTASA-N 0 3 324.302 3.095 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3cccnc3)nc21 ZINC000835172933 629869347 /nfs/dbraw/zinc/86/93/47/629869347.db2.gz NDIKTIAQMLZLNJ-ZNMIVQPWSA-N 0 3 316.364 3.246 20 30 DGEDHN Cc1cc(C#N)ccc1COC(=O)c1cccc(CN(C)C)c1 ZINC000835242742 629887572 /nfs/dbraw/zinc/88/75/72/629887572.db2.gz WTUUAMOQJRESDF-UHFFFAOYSA-N 0 3 308.381 3.285 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000836487332 630120948 /nfs/dbraw/zinc/12/09/48/630120948.db2.gz DIUAPQXMXCHJOG-HNNXBMFYSA-N 0 3 321.490 3.090 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCc2cnn(C)c2)c([O-])c1 ZINC000102598379 630160842 /nfs/dbraw/zinc/16/08/42/630160842.db2.gz JQPMZNNQVIYAGU-CPNJWEJPSA-N 0 3 314.433 3.024 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000837375140 630250026 /nfs/dbraw/zinc/25/00/26/630250026.db2.gz AJDARVCGRVAXTJ-HNNXBMFYSA-N 0 3 318.486 3.126 20 30 DGEDHN CN(C(=O)C#CC(C)(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000837417451 630255467 /nfs/dbraw/zinc/25/54/67/630255467.db2.gz UVSPMHRBRGMFDD-UHFFFAOYSA-N 0 3 312.457 3.159 20 30 DGEDHN CN1CCC[C@H](CNC(=O)C#CC(C)(C)C)[C@H]1c1cccs1 ZINC000837435919 630257281 /nfs/dbraw/zinc/25/72/81/630257281.db2.gz STENPNKMNXOOSV-PBHICJAKSA-N 0 3 318.486 3.297 20 30 DGEDHN C=CCOc1cccnc1C(=O)OC[C@@H]1CCCCN1C(C)C ZINC000837614271 630286610 /nfs/dbraw/zinc/28/66/10/630286610.db2.gz YPWMCRLXKCJIDJ-HNNXBMFYSA-N 0 3 318.417 3.066 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2(CF)CCOCC2)c([O-])c1 ZINC000840708455 630350902 /nfs/dbraw/zinc/35/09/02/630350902.db2.gz GEEPWHXHTUYJGE-NDENLUEZSA-N 0 3 322.424 3.424 20 30 DGEDHN c1ccc([C@H]2CC(=NNC3CCOCC3)CCN2C2CC2)cc1 ZINC000841629368 630449528 /nfs/dbraw/zinc/44/95/28/630449528.db2.gz NCRXGQOJNWYCHW-LJQANCHMSA-N 0 3 313.445 3.111 20 30 DGEDHN COCCCON=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841637951 630450546 /nfs/dbraw/zinc/45/05/46/630450546.db2.gz MKASUOKSUURSTL-GOSISDBHSA-N 0 3 302.418 3.395 20 30 DGEDHN C#CC[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000842628347 630554757 /nfs/dbraw/zinc/55/47/57/630554757.db2.gz BGKAGVDGQIMAGG-KRWDZBQOSA-N 0 3 304.397 3.115 20 30 DGEDHN C#CCCCCNCc1cc(Br)cnc1Cl ZINC000842689190 630563557 /nfs/dbraw/zinc/56/35/57/630563557.db2.gz XHHZLIPRQYOTRT-UHFFFAOYSA-N 0 3 301.615 3.391 20 30 DGEDHN N#Cc1cccc(CN2CCC(/N=C/c3ccccc3O)CC2)c1 ZINC000844272476 630715027 /nfs/dbraw/zinc/71/50/27/630715027.db2.gz WZFIPJVVEWMMDT-HYARGMPZSA-N 0 3 319.408 3.347 20 30 DGEDHN CN(CCCC(=O)c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372463 630722117 /nfs/dbraw/zinc/72/21/17/630722117.db2.gz ZJXUPOILFMTAEX-HXUWFJFHSA-N 0 3 322.408 3.187 20 30 DGEDHN CCOc1ccc(O)c(CNCc2ccc(C#N)cc2F)c1 ZINC000105642616 630947537 /nfs/dbraw/zinc/94/75/37/630947537.db2.gz QGYMJBYWWWJWGM-UHFFFAOYSA-N 0 3 300.333 3.091 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848351533 631648123 /nfs/dbraw/zinc/64/81/23/631648123.db2.gz FINYBBONVMILGD-BBWFWOEESA-N 0 3 323.481 3.091 20 30 DGEDHN CC(C)(C)[S@@](=O)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000848537211 631682941 /nfs/dbraw/zinc/68/29/41/631682941.db2.gz BSRKTBGYLSMDFY-NRFANRHFSA-N 0 3 306.475 3.125 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCO[C@H]2CC2(F)F)c([O-])c1 ZINC000849169532 631851626 /nfs/dbraw/zinc/85/16/26/631851626.db2.gz DQNBZTNHYMCEAK-BKQORJHRSA-N 0 3 312.360 3.082 20 30 DGEDHN COc1ccc([C@H](NCCO[C@@H](C)C#N)c2ccccc2)cc1 ZINC000849318857 631889522 /nfs/dbraw/zinc/88/95/22/631889522.db2.gz YFZZBKNKJIKAAH-HNAYVOBHSA-N 0 3 310.397 3.303 20 30 DGEDHN Cc1csc(C(C#N)C(=O)CSc2ncc(C)cc2C)n1 ZINC000849987201 632023141 /nfs/dbraw/zinc/02/31/41/632023141.db2.gz DIGIQIPMIKOFMA-GFCCVEGCSA-N 0 3 317.439 3.432 20 30 DGEDHN C[C@H](O)[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000850421166 632147762 /nfs/dbraw/zinc/14/77/62/632147762.db2.gz WEYGELPXLZONPV-JXFKEZNVSA-N 0 3 323.440 3.248 20 30 DGEDHN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000850528430 632181667 /nfs/dbraw/zinc/18/16/67/632181667.db2.gz LYPGZFJBRJKXGG-MJXNMMHHSA-N 0 3 308.381 3.418 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850534755 632184986 /nfs/dbraw/zinc/18/49/86/632184986.db2.gz QJFRKHDXGQQYFQ-XYPHTWIQSA-N 0 3 321.367 3.164 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534555 632185277 /nfs/dbraw/zinc/18/52/77/632185277.db2.gz OBXQXHBZDIJXIU-BBWFWOEESA-N 0 3 318.367 3.340 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850759567 632216916 /nfs/dbraw/zinc/21/69/16/632216916.db2.gz KLUFHIYEYVIHQQ-OAHLLOKOSA-N 0 3 310.353 3.041 20 30 DGEDHN N#CC(C(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)NC1CC1 ZINC000850759696 632217938 /nfs/dbraw/zinc/21/79/38/632217938.db2.gz QTHBWPAOIYVLJV-SFHVURJKSA-N 0 3 324.424 3.264 20 30 DGEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000850759753 632218046 /nfs/dbraw/zinc/21/80/46/632218046.db2.gz QWNFTQCEOFPNRI-SCZZXKLOSA-N 0 3 324.167 3.191 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850978137 632275049 /nfs/dbraw/zinc/27/50/49/632275049.db2.gz MRZPTMHAKREDSV-SJORKVTESA-N 0 3 324.424 3.324 20 30 DGEDHN C=CC[C@H](NC(=O)C[C@H]1NCc2ccccc21)c1ccncc1 ZINC000851630835 632462667 /nfs/dbraw/zinc/46/26/67/632462667.db2.gz STFOVQGEHCPHPD-ZWKOTPCHSA-N 0 3 307.397 3.050 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000852098554 632553315 /nfs/dbraw/zinc/55/33/15/632553315.db2.gz QBNQFWLCYNNZOC-QRWLVFNGSA-N 0 3 308.425 3.409 20 30 DGEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000852101362 632555105 /nfs/dbraw/zinc/55/51/05/632555105.db2.gz DGQKTXNUSOWFFM-SJCJKPOMSA-N 0 3 324.827 3.218 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1c(Cl)ncnc1N(C)C ZINC000852303550 632583567 /nfs/dbraw/zinc/58/35/67/632583567.db2.gz SHLBBVRHUXRRFF-TZMCWYRMSA-N 0 3 308.857 3.421 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@H](O)c2ccc(Br)cc2)C1 ZINC000852320091 632586580 /nfs/dbraw/zinc/58/65/80/632586580.db2.gz VXYKNVOYENJJQF-DOMZBBRYSA-N 0 3 323.234 3.108 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)[C@H](C)C1 ZINC000943480814 660189075 /nfs/dbraw/zinc/18/90/75/660189075.db2.gz GOYMYOGOXDZQGA-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(C(C)(C)C)n2)[C@@H](C)C1 ZINC000943550303 660191694 /nfs/dbraw/zinc/19/16/94/660191694.db2.gz XMIJPBGIOFFJNL-QWHCGFSZSA-N 0 3 321.490 3.067 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000943549817 660191710 /nfs/dbraw/zinc/19/17/10/660191710.db2.gz WATXGUWYEMWNMO-CJNGLKHVSA-N 0 3 320.383 3.088 20 30 DGEDHN C=CCCN1CC(CNC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001032096722 660195078 /nfs/dbraw/zinc/19/50/78/660195078.db2.gz QQHLUGTXIQLMHM-UHFFFAOYSA-N 0 3 314.454 3.447 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](C)C1 ZINC000944227763 660216000 /nfs/dbraw/zinc/21/60/00/660216000.db2.gz OVTQMCVCIFLVFO-XLAORIBOSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)[C@H](C)C1 ZINC000944443079 660223883 /nfs/dbraw/zinc/22/38/83/660223883.db2.gz FZJFFLYWPURUNR-AEFFLSMTSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c2CCCC3)C[C@H]1C ZINC000947344703 659409768 /nfs/dbraw/zinc/40/97/68/659409768.db2.gz ZXSQVTGUZUGSKG-AEFFLSMTSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(C(C)C)nc2C)[C@@H](C)C1 ZINC000944905962 660235576 /nfs/dbraw/zinc/23/55/76/660235576.db2.gz GBFAFYLIMYJCDY-JSGCOSHPSA-N 0 3 321.490 3.201 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000945092295 660240741 /nfs/dbraw/zinc/24/07/41/660240741.db2.gz QESRGNJPWDALGF-GOEBONIOSA-N 0 3 312.413 3.367 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)[C@H](C)C1 ZINC000945180788 660243006 /nfs/dbraw/zinc/24/30/06/660243006.db2.gz LOZRTQKHCUCAAD-ZBFHGGJFSA-N 0 3 312.413 3.367 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ncsc2C(C)C)C[C@@H]1C ZINC000947916218 660247462 /nfs/dbraw/zinc/24/74/62/660247462.db2.gz NPQVIGFMRFHACV-STQMWFEESA-N 0 3 307.463 3.035 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NCc2cncs2)C(C)(C)C1 ZINC000996134996 660276083 /nfs/dbraw/zinc/27/60/83/660276083.db2.gz MFWONQIHQAQVLC-AWEZNQCLSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c(C)cccc2C)CC1 ZINC000997316599 660319347 /nfs/dbraw/zinc/31/93/47/660319347.db2.gz QYPQJUVQCZMLEZ-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1coc2ccc(C)cc12 ZINC001032428872 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C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001033729380 660657281 /nfs/dbraw/zinc/65/72/81/660657281.db2.gz PDDZNIVGVCLXPM-HXUWFJFHSA-N 0 3 322.452 3.424 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2F)C1 ZINC001033843579 660669541 /nfs/dbraw/zinc/66/95/41/660669541.db2.gz LHNFBDQENRMLGP-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033874934 660673120 /nfs/dbraw/zinc/67/31/20/660673120.db2.gz LWUWZAUXYOTZKD-AWEZNQCLSA-N 0 3 322.474 3.007 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033890483 660674833 /nfs/dbraw/zinc/67/48/33/660674833.db2.gz PKUWRRDHPLQWCB-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033937299 660682384 /nfs/dbraw/zinc/68/23/84/660682384.db2.gz YESGMOMPIOMPGJ-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033934024 660682796 /nfs/dbraw/zinc/68/27/96/660682796.db2.gz NLDLUZJXTIFSOU-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(OCC)c2)C1 ZINC001033967846 660686529 /nfs/dbraw/zinc/68/65/29/660686529.db2.gz JCCDMLHEWMJQEQ-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033982010 660689968 /nfs/dbraw/zinc/68/99/68/660689968.db2.gz NJGMWYBOOHONCZ-OTWHNJEPSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C(F)F)cc2)C1 ZINC001033992578 660690883 /nfs/dbraw/zinc/69/08/83/660690883.db2.gz SUOPAQNJOQCXME-INIZCTEOSA-N 0 3 320.383 3.184 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2sccc2COC)C1 ZINC001034019243 660694701 /nfs/dbraw/zinc/69/47/01/660694701.db2.gz OAEBRIZUWPSHQV-HNNXBMFYSA-N 0 3 322.474 3.007 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034021398 660694894 /nfs/dbraw/zinc/69/48/94/660694894.db2.gz NJGMWYBOOHONCZ-GBESFXJTSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)oc2C)C1 ZINC001034003609 660695110 /nfs/dbraw/zinc/69/51/10/660695110.db2.gz FSPSTGMZRHHBCE-INIZCTEOSA-N 0 3 316.445 3.271 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC001034024712 660699195 /nfs/dbraw/zinc/69/91/95/660699195.db2.gz HQRLKVXMJDVDBA-MRXNPFEDSA-N 0 3 306.837 3.453 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC001034024710 660699211 /nfs/dbraw/zinc/69/92/11/660699211.db2.gz HQRLKVXMJDVDBA-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034051739 660699558 /nfs/dbraw/zinc/69/95/58/660699558.db2.gz ZVLJPNBIVRKEOH-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001034053854 660699819 /nfs/dbraw/zinc/69/98/19/660699819.db2.gz GZNZMJFJGAGBBM-CQSZACIVSA-N 0 3 315.392 3.029 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC001005509429 660713201 /nfs/dbraw/zinc/71/32/01/660713201.db2.gz AHFJTIZKLVCJGO-UHFFFAOYSA-N 0 3 316.489 3.168 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001034247113 660727297 /nfs/dbraw/zinc/72/72/97/660727297.db2.gz JNASVOZIVRGWRP-OIAUPDTQSA-N 0 3 316.489 3.215 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001034253319 660729772 /nfs/dbraw/zinc/72/97/72/660729772.db2.gz HUBOKYYJMNLKIM-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001034278508 660732400 /nfs/dbraw/zinc/73/24/00/660732400.db2.gz CRYLGYAPCJPREO-HNNXBMFYSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001034309162 660735521 /nfs/dbraw/zinc/73/55/21/660735521.db2.gz IWEVVALTUKKXDA-ZIAGYGMSSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001034323567 660739051 /nfs/dbraw/zinc/73/90/51/660739051.db2.gz JEEAGPOCXHPGQI-CMKODMSKSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001034372993 660743040 /nfs/dbraw/zinc/74/30/40/660743040.db2.gz QHVANPZMEFRSIX-SJLPKXTDSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001034360303 660743476 /nfs/dbraw/zinc/74/34/76/660743476.db2.gz QDTJLRNGGPLDOI-OAHLLOKOSA-N 0 3 303.450 3.128 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001034378066 660745189 /nfs/dbraw/zinc/74/51/89/660745189.db2.gz OYTKATFYNXOIFY-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001034379526 660745463 /nfs/dbraw/zinc/74/54/63/660745463.db2.gz DILUPMQTJCSVIN-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001034394168 660747052 /nfs/dbraw/zinc/74/70/52/660747052.db2.gz LSJZUFRDWNHAEN-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001034423044 660747997 /nfs/dbraw/zinc/74/79/97/660747997.db2.gz GAYNYXIEUGSJOO-WNRNVDISSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001034429593 660748408 /nfs/dbraw/zinc/74/84/08/660748408.db2.gz WWPPPSKFCXPLGU-HZPDHXFCSA-N 0 3 304.434 3.238 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001034447234 660752190 /nfs/dbraw/zinc/75/21/90/660752190.db2.gz FSRNPRVNBRJUMB-HNNXBMFYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001034507445 660763566 /nfs/dbraw/zinc/76/35/66/660763566.db2.gz JAFJJMHNCRVTMW-RDJZCZTQSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001034458242 660756586 /nfs/dbraw/zinc/75/65/86/660756586.db2.gz MGIAMWJVYQQINW-MRXNPFEDSA-N 0 3 315.461 3.374 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001034494268 660759717 /nfs/dbraw/zinc/75/97/17/660759717.db2.gz XWZUKNLVCVLIHO-HUUCEWRRSA-N 0 3 306.475 3.317 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001034509057 660763811 /nfs/dbraw/zinc/76/38/11/660763811.db2.gz XJFFTBRSIVWIFB-ZDUSSCGKSA-N 0 3 317.458 3.390 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001034483423 660761349 /nfs/dbraw/zinc/76/13/49/660761349.db2.gz CXXRTIFLPPGPAF-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001034513313 660765233 /nfs/dbraw/zinc/76/52/33/660765233.db2.gz ZCEKUBOLTQDKPL-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001034550344 660773393 /nfs/dbraw/zinc/77/33/93/660773393.db2.gz UMGNRIYVLRKVHO-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034540280 660769910 /nfs/dbraw/zinc/76/99/10/660769910.db2.gz FXSYNFHSXLEPIC-OPQOLIRYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001034541266 660770235 /nfs/dbraw/zinc/77/02/35/660770235.db2.gz ONEPYDAEHAFHOP-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001034540619 660770384 /nfs/dbraw/zinc/77/03/84/660770384.db2.gz JGBGZRDINFGKGB-OAHLLOKOSA-N 0 3 318.486 3.479 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001034543814 660771133 /nfs/dbraw/zinc/77/11/33/660771133.db2.gz AIELZSJNNUXJAH-VNCLNFNDSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001034542188 660771226 /nfs/dbraw/zinc/77/12/26/660771226.db2.gz UYVNTNWRLGNCFT-QGZVFWFLSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001034550345 660773150 /nfs/dbraw/zinc/77/31/50/660773150.db2.gz UMGNRIYVLRKVHO-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(F)cc(C)cc2F)CC1 ZINC001005690169 660789359 /nfs/dbraw/zinc/78/93/59/660789359.db2.gz AHWXVKDEAOBYKQ-UHFFFAOYSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC001005707707 660791375 /nfs/dbraw/zinc/79/13/75/660791375.db2.gz IWIXUUYQYYBELJ-UHFFFAOYSA-N 0 3 322.399 3.276 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001035012154 660808920 /nfs/dbraw/zinc/80/89/20/660808920.db2.gz SSGQBYKVCVASCT-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1ncccc1C ZINC001035035318 660810779 /nfs/dbraw/zinc/81/07/79/660810779.db2.gz JGGMCMWXXWJDJP-APWZRJJASA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc(C3CC3)c2)CC1 ZINC001005771274 660813545 /nfs/dbraw/zinc/81/35/45/660813545.db2.gz YAJQIGZTDIVGBA-UHFFFAOYSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)oc1C)CC2 ZINC001035647003 660843700 /nfs/dbraw/zinc/84/37/00/660843700.db2.gz GPZHFPAIHMZJFW-UHFFFAOYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc(C)c1F)CC2 ZINC001035709780 660846292 /nfs/dbraw/zinc/84/62/92/660846292.db2.gz LJCNHOZLKCDCAE-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001035791792 660852824 /nfs/dbraw/zinc/85/28/24/660852824.db2.gz NCULCNMEWKGFDC-UHFFFAOYSA-N 0 3 324.468 3.467 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1C=CCCC1)CC2 ZINC001035729963 660847535 /nfs/dbraw/zinc/84/75/35/660847535.db2.gz KXFXKIWQYSRQCA-KRWDZBQOSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035767706 660850013 /nfs/dbraw/zinc/85/00/13/660850013.db2.gz UPBGAAOSDQBRCQ-UHFFFAOYSA-N 0 3 304.478 3.479 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CC3(CCC3)C1)CC2 ZINC001035768756 660850249 /nfs/dbraw/zinc/85/02/49/660850249.db2.gz PTNVGAJUXRKHLS-UHFFFAOYSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c[nH]cc1C1CC1)CC2 ZINC001035826757 660855096 /nfs/dbraw/zinc/85/50/96/660855096.db2.gz JIFVXOYABGBHHD-UHFFFAOYSA-N 0 3 313.445 3.006 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)CC2 ZINC001035829332 660856728 /nfs/dbraw/zinc/85/67/28/660856728.db2.gz ZDHYSKLHZZMSRY-ZWKOTPCHSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001035858427 660860289 /nfs/dbraw/zinc/86/02/89/660860289.db2.gz HSTSTRIBCCNMQT-PIIMJCKOSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cnc3ccsc3c2)CC1 ZINC001005814785 660940407 /nfs/dbraw/zinc/94/04/07/660940407.db2.gz GKKYCOBQMOKKNA-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@]3(C)CC)CC[C@@H]2C1 ZINC000946843332 660943193 /nfs/dbraw/zinc/94/31/93/660943193.db2.gz XTHZPUJIQJWYNN-UIBIWLFHSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001006106022 660964096 /nfs/dbraw/zinc/96/40/96/660964096.db2.gz PMOBGLJUVVXECD-CQSZACIVSA-N 0 3 319.449 3.301 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC001006168053 660966590 /nfs/dbraw/zinc/96/65/90/660966590.db2.gz BWGILDWKASOQBX-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)c2cccc(F)c2)CC1 ZINC001005985478 660954924 /nfs/dbraw/zinc/95/49/24/660954924.db2.gz HIOBTLIDXMRADD-UHFFFAOYSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc3[nH]ccc32)CC1 ZINC001006040257 660958175 /nfs/dbraw/zinc/95/81/75/660958175.db2.gz XVWABFCADZKAHJ-UHFFFAOYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC001006053162 660959501 /nfs/dbraw/zinc/95/95/01/660959501.db2.gz MOSSSDGXTPCFCB-UHFFFAOYSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC001006292678 660973225 /nfs/dbraw/zinc/97/32/25/660973225.db2.gz SAGFXVZJYVQMSX-UHFFFAOYSA-N 0 3 310.441 3.368 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2oc(CC)cc2C)CC1 ZINC001006294204 660973441 /nfs/dbraw/zinc/97/34/41/660973441.db2.gz MEDSGVUCIKIENN-UHFFFAOYSA-N 0 3 304.434 3.263 20 30 DGEDHN CN(C(=O)C(C)(C)C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001006325760 660975003 /nfs/dbraw/zinc/97/50/03/660975003.db2.gz GWUKUBOJCODXJS-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000969147207 655528475 /nfs/dbraw/zinc/52/84/75/655528475.db2.gz AAGSKLYGXLKYIF-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C#CCCCCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000160222449 655532806 /nfs/dbraw/zinc/53/28/06/655532806.db2.gz QNCYUPMOKIAGHI-INIZCTEOSA-N 0 3 321.490 3.234 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001020430709 655534484 /nfs/dbraw/zinc/53/44/84/655534484.db2.gz VYEWCGBOLNZJNK-KLHDSHLOSA-N 0 3 310.869 3.192 20 30 DGEDHN C[C@@H](C#N)OCCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795576311 661161301 /nfs/dbraw/zinc/16/13/01/661161301.db2.gz RSEKHUQUDBZTMB-WFASDCNBSA-N 0 3 310.850 3.435 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001020543904 655547132 /nfs/dbraw/zinc/54/71/32/655547132.db2.gz BVFRRPUYOBQUIN-HAQNSBGRSA-N 0 3 313.228 3.251 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC000969585409 655551491 /nfs/dbraw/zinc/55/14/91/655551491.db2.gz VLWWWFYUQPTFEC-ZIAGYGMSSA-N 0 3 304.409 3.289 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001041535227 655556460 /nfs/dbraw/zinc/55/64/60/655556460.db2.gz DNIOJOANXCPSQP-YJBOKZPZSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000969830992 655559172 /nfs/dbraw/zinc/55/91/72/655559172.db2.gz YDNUBIZSWBWHMZ-SJLPKXTDSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001020625314 655562118 /nfs/dbraw/zinc/56/21/18/655562118.db2.gz BENFNCMWZNOSDX-JOCQHMNTSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001020773977 655574972 /nfs/dbraw/zinc/57/49/72/655574972.db2.gz NWEBIUCNVYJKOJ-JOCQHMNTSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001020776273 655575161 /nfs/dbraw/zinc/57/51/61/655575161.db2.gz BYGSXCDIYUWBPW-HAQNSBGRSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001020780753 655575234 /nfs/dbraw/zinc/57/52/34/655575234.db2.gz ZNIXVGGPQVIXRF-BZUAXINKSA-N 0 3 318.848 3.096 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000970104987 655575859 /nfs/dbraw/zinc/57/58/59/655575859.db2.gz NHMACMWTBNPFPL-CYBMUJFWSA-N 0 3 311.429 3.103 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2nc3ccccc3cc2C)C1 ZINC000970182560 655587130 /nfs/dbraw/zinc/58/71/30/655587130.db2.gz QLXGFDWHDQYPGA-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC000970217060 655589117 /nfs/dbraw/zinc/58/91/17/655589117.db2.gz NBSBQCNABNXCOG-OAHLLOKOSA-N 0 3 324.424 3.123 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000970231423 655590175 /nfs/dbraw/zinc/59/01/75/655590175.db2.gz LUPSERUDSAYFAQ-AWEZNQCLSA-N 0 3 311.429 3.103 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)CC1 ZINC000970377348 655597094 /nfs/dbraw/zinc/59/70/94/655597094.db2.gz PTIIREJVESEPSR-MRXNPFEDSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)C1 ZINC001021373073 655609230 /nfs/dbraw/zinc/60/92/30/655609230.db2.gz CHPURRQWMLYKNG-LIPHLPFNSA-N 0 3 308.853 3.207 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000970626604 655610315 /nfs/dbraw/zinc/61/03/15/655610315.db2.gz ANKXBJWIGLAFLG-HNNXBMFYSA-N 0 3 312.457 3.058 20 30 DGEDHN CCC(C)(CC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000970755038 655617256 /nfs/dbraw/zinc/61/72/56/655617256.db2.gz QNKLTKGIWKJBNF-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC000970779437 655619697 /nfs/dbraw/zinc/61/96/97/655619697.db2.gz NIXMBALJQMXHTI-HNNXBMFYSA-N 0 3 300.446 3.436 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C)s2)C1 ZINC001021505770 655621670 /nfs/dbraw/zinc/62/16/70/655621670.db2.gz NRYWVJMYIIJTJT-CVEARBPZSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C)s2)C1 ZINC001021505772 655621741 /nfs/dbraw/zinc/62/17/41/655621741.db2.gz NRYWVJMYIIJTJT-HZPDHXFCSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2C(C)(C)C2(C)C)C1 ZINC001021554099 655630191 /nfs/dbraw/zinc/63/01/91/655630191.db2.gz HPZFREXAQCFCGM-HOTGVXAUSA-N 0 3 316.489 3.005 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2CC)C1 ZINC001021660863 655651066 /nfs/dbraw/zinc/65/10/66/655651066.db2.gz HKAXQWVKFCXDFM-UYAOXDASSA-N 0 3 324.468 3.199 20 30 DGEDHN C=Cc1ccc(C(=O)N2CCC[C@H]3CN(CC#CC)CC[C@@H]32)cc1 ZINC001021675331 655654236 /nfs/dbraw/zinc/65/42/36/655654236.db2.gz XAOCQUWGRCGVOJ-PMACEKPBSA-N 0 3 322.452 3.279 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971091915 655659904 /nfs/dbraw/zinc/65/99/04/655659904.db2.gz LCOZNDUHTHVTPZ-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C)ccc2C)C1 ZINC001021722562 655664239 /nfs/dbraw/zinc/66/42/39/655664239.db2.gz OXNHLRXLMJNUTN-QUCCMNQESA-N 0 3 324.468 3.253 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(C)C[C@@H](C)OC ZINC000795746670 661171074 /nfs/dbraw/zinc/17/10/74/661171074.db2.gz ILQUSYUKJHBXKK-CYBMUJFWSA-N 0 3 305.447 3.239 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cccc(SC)c2)CCC1 ZINC000933304414 655698836 /nfs/dbraw/zinc/69/88/36/655698836.db2.gz LSJZAGKKHHBJHW-ZDUSSCGKSA-N 0 3 302.443 3.271 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC000971542987 655704291 /nfs/dbraw/zinc/70/42/91/655704291.db2.gz QABUXYJLUIONPA-KSZLIROESA-N 0 3 312.457 3.145 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001022130417 655714147 /nfs/dbraw/zinc/71/41/47/655714147.db2.gz FCMGCYFOGOLKEH-AOOOYVTPSA-N 0 3 319.257 3.313 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(CC)CCC(F)(F)CC2)C1 ZINC000971815068 655730841 /nfs/dbraw/zinc/73/08/41/655730841.db2.gz YCEJIYYCOATZBA-AWEZNQCLSA-N 0 3 314.420 3.311 20 30 DGEDHN CN(Cc1cc(C#N)cs1)C[C@H](O)CCc1ccccc1 ZINC000933773969 655733056 /nfs/dbraw/zinc/73/30/56/655733056.db2.gz UESPFQZVOCHKKP-MRXNPFEDSA-N 0 3 300.427 3.045 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1CCOC12CCCCC2 ZINC000933870503 655736899 /nfs/dbraw/zinc/73/68/99/655736899.db2.gz CJTUCUOVBTYRDI-KRWDZBQOSA-N 0 3 300.402 3.148 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Cl)c1 ZINC001039461786 655738539 /nfs/dbraw/zinc/73/85/39/655738539.db2.gz JSMLXIFDFHWIPL-SJORKVTESA-N 0 3 316.832 3.042 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCN(CC3CCCCCC3)CC2)cc1 ZINC000949596952 655743966 /nfs/dbraw/zinc/74/39/66/655743966.db2.gz FZPLQIQALCYFGZ-UHFFFAOYSA-N 0 3 324.468 3.396 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)CC1 ZINC001022647379 655758223 /nfs/dbraw/zinc/75/82/23/655758223.db2.gz IFXYXCLOXFDSLI-CALCHBBNSA-N 0 3 316.420 3.309 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cc(F)ccc3F)C2)C1 ZINC001022675023 655761314 /nfs/dbraw/zinc/76/13/14/655761314.db2.gz MRFSRAPLLYBHIP-GASCZTMLSA-N 0 3 320.383 3.058 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cc(C)ccc3F)C2)C1 ZINC001022675178 655761393 /nfs/dbraw/zinc/76/13/93/655761393.db2.gz QVGSRDZKQXDJMR-IYBDPMFKSA-N 0 3 316.420 3.227 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC000972082710 655763431 /nfs/dbraw/zinc/76/34/31/655763431.db2.gz RKOSVJOBFQQTHR-KRWDZBQOSA-N 0 3 318.436 3.379 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000972167302 655774878 /nfs/dbraw/zinc/77/48/78/655774878.db2.gz FRDNHTAPCYGEGE-JHJVBQTASA-N 0 3 324.877 3.224 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000972347914 655791013 /nfs/dbraw/zinc/79/10/13/655791013.db2.gz CBWLGDASISXBNS-KRWDZBQOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)nc2CC)C1 ZINC000972353538 655791355 /nfs/dbraw/zinc/79/13/55/655791355.db2.gz VUUUANKUDUBOOL-OAHLLOKOSA-N 0 3 315.461 3.100 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3cccnc32)C[C@H]1C ZINC000947510510 655791506 /nfs/dbraw/zinc/79/15/06/655791506.db2.gz LXCYAMTVAZPJMJ-GDBMZVCRSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001022844253 655792799 /nfs/dbraw/zinc/79/27/99/655792799.db2.gz VSCPEQLNWYEJBG-CALCHBBNSA-N 0 3 316.832 3.249 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001023035241 655809978 /nfs/dbraw/zinc/80/99/78/655809978.db2.gz ASICSINKXCCWSV-BPNZPQAUSA-N 0 3 320.811 3.047 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001023128695 655814084 /nfs/dbraw/zinc/81/40/84/655814084.db2.gz OYEHWMVAKAOQNB-OKILXGFUSA-N 0 3 318.804 3.344 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001023155518 655815394 /nfs/dbraw/zinc/81/53/94/655815394.db2.gz JALPZFIFPLCCHF-UCUFBTAOSA-N 0 3 318.848 3.170 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1coc2ccc(CC)cc12 ZINC001038264660 655823007 /nfs/dbraw/zinc/82/30/07/655823007.db2.gz XIIIKXHMVQAINV-OAHLLOKOSA-N 0 3 312.413 3.375 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3sc(C)cc3C)C[C@H]21 ZINC001042074054 655824940 /nfs/dbraw/zinc/82/49/40/655824940.db2.gz CLRNMCYPJTYPSA-LSDHHAIUSA-N 0 3 304.459 3.087 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001023403153 655831795 /nfs/dbraw/zinc/83/17/95/655831795.db2.gz DYFUWVVJHCCLHH-QGZVFWFLSA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001023406876 655831807 /nfs/dbraw/zinc/83/18/07/655831807.db2.gz XFHLETZEKVXMFB-QGZVFWFLSA-N 0 3 324.468 3.419 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2occc2-c2ccccc2)C1 ZINC001023477694 655836461 /nfs/dbraw/zinc/83/64/61/655836461.db2.gz CAQLRCJVZMSBKA-MRXNPFEDSA-N 0 3 322.408 3.022 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@@H]1C ZINC000947567219 655841740 /nfs/dbraw/zinc/84/17/40/655841740.db2.gz BORUEKJQWMNRTL-WMZOPIPTSA-N 0 3 324.468 3.478 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001023570325 655844055 /nfs/dbraw/zinc/84/40/55/655844055.db2.gz BSEDAWJHIUMKPU-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H]2CCCN(C[C@@H](F)CC)C2)CC1 ZINC001023572616 655844087 /nfs/dbraw/zinc/84/40/87/655844087.db2.gz JAIKBZKEFQBLJQ-RDJZCZTQSA-N 0 3 310.457 3.309 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001023638184 655851562 /nfs/dbraw/zinc/85/15/62/655851562.db2.gz ZHMDMAFHYPECJO-VXESANQCSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001023716634 655856673 /nfs/dbraw/zinc/85/66/73/655856673.db2.gz OVRGAGPJFHMTRF-INIZCTEOSA-N 0 3 312.457 3.059 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000972646653 655858186 /nfs/dbraw/zinc/85/81/86/655858186.db2.gz DMSWMQFVVRMYDE-HNNXBMFYSA-N 0 3 311.429 3.117 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(CC)c(C)s2)C1 ZINC001023736599 655859940 /nfs/dbraw/zinc/85/99/40/655859940.db2.gz GMCDNEGDDPBKRN-OAHLLOKOSA-N 0 3 318.486 3.084 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001023765054 655863069 /nfs/dbraw/zinc/86/30/69/655863069.db2.gz XVPFONBSUQYKBS-CYBMUJFWSA-N 0 3 321.490 3.068 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001023769046 655863548 /nfs/dbraw/zinc/86/35/48/655863548.db2.gz XLGLCPDSYQOFKU-OAHLLOKOSA-N 0 3 318.486 3.337 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000972786784 655882200 /nfs/dbraw/zinc/88/22/00/655882200.db2.gz STSKIBAEQXCBSN-AWEZNQCLSA-N 0 3 312.335 3.038 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000972791941 655882676 /nfs/dbraw/zinc/88/26/76/655882676.db2.gz XROXGQQXMSFZPQ-AWEZNQCLSA-N 0 3 313.228 3.326 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001024448681 655906229 /nfs/dbraw/zinc/90/62/29/655906229.db2.gz VHIFRFXIZVGXBY-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001024510150 655911887 /nfs/dbraw/zinc/91/18/87/655911887.db2.gz FQMVLYWTLIOAPN-IXDOHACOSA-N 0 3 318.486 3.398 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001024547419 655915624 /nfs/dbraw/zinc/91/56/24/655915624.db2.gz KFDDMZLCLSXVMU-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001024560369 655916921 /nfs/dbraw/zinc/91/69/21/655916921.db2.gz FADXDQWJTKACIB-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001024680386 655930239 /nfs/dbraw/zinc/93/02/39/655930239.db2.gz IPKHNSJOPZWHAJ-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001024697357 655931357 /nfs/dbraw/zinc/93/13/57/655931357.db2.gz WVIVKWKBAWOIQG-GNZRSQJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1sc(CC)nc1C ZINC001024708213 655932711 /nfs/dbraw/zinc/93/27/11/655932711.db2.gz WLCCTGSMOKOWDS-AWEZNQCLSA-N 0 3 321.490 3.174 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001024773765 655937307 /nfs/dbraw/zinc/93/73/07/655937307.db2.gz KWVURAFLSXYMPU-IBGZPJMESA-N 0 3 312.457 3.418 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001024782606 655938259 /nfs/dbraw/zinc/93/82/59/655938259.db2.gz LAWRKWHGRXCSKT-CTWPCTMYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001024826263 655943294 /nfs/dbraw/zinc/94/32/94/655943294.db2.gz PNTXDSWAAYSIAH-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN CC[C@H](C)C(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024875571 655947005 /nfs/dbraw/zinc/94/70/05/655947005.db2.gz AEUHGAGOKVSGQS-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025195740 655975825 /nfs/dbraw/zinc/97/58/25/655975825.db2.gz MEVZENXJYUPZBQ-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cncs1 ZINC001025209135 655978546 /nfs/dbraw/zinc/97/85/46/655978546.db2.gz JDOCRIJDULLVOF-LSDHHAIUSA-N 0 3 319.474 3.178 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025220615 655980523 /nfs/dbraw/zinc/98/05/23/655980523.db2.gz IGPRRHXDJIDFFJ-HZPDHXFCSA-N 0 3 306.425 3.119 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001025223657 655981653 /nfs/dbraw/zinc/98/16/53/655981653.db2.gz DQNMQFSMXHJSAK-MOPGFXCFSA-N 0 3 314.473 3.356 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccoc1CC ZINC001025228677 655981922 /nfs/dbraw/zinc/98/19/22/655981922.db2.gz BXVWLFJBEHJYSZ-IAGOWNOFSA-N 0 3 316.445 3.487 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001025230450 655982700 /nfs/dbraw/zinc/98/27/00/655982700.db2.gz AAJLPPVAISRINY-VQTJNVASSA-N 0 3 324.468 3.154 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025259066 655984996 /nfs/dbraw/zinc/98/49/96/655984996.db2.gz KQWOSXMNNVABOT-IRXDYDNUSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001025261850 655986977 /nfs/dbraw/zinc/98/69/77/655986977.db2.gz YJQYRSXCADLPMW-QZTJIDSGSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1csc(C)c1 ZINC001025276697 655988215 /nfs/dbraw/zinc/98/82/15/655988215.db2.gz KMBWBQDFOUZTLM-DLBZAZTESA-N 0 3 316.470 3.149 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1nccs1 ZINC001025282282 655988770 /nfs/dbraw/zinc/98/87/70/655988770.db2.gz AVUXTPYUOUYBRL-GJZGRUSLSA-N 0 3 319.474 3.178 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC001025425419 656009913 /nfs/dbraw/zinc/00/99/13/656009913.db2.gz POZWODRCHFVOMR-WMZOPIPTSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2csc(C)c2C)C1 ZINC001025427657 656011035 /nfs/dbraw/zinc/01/10/35/656011035.db2.gz GUUVWPQUTSUVMF-GDBMZVCRSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001025536671 656030661 /nfs/dbraw/zinc/03/06/61/656030661.db2.gz ZVCZMHKWUBNBDJ-IAGOWNOFSA-N 0 3 324.468 3.202 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(Cl)cs2)C1 ZINC001025549851 656034721 /nfs/dbraw/zinc/03/47/21/656034721.db2.gz WFUQXHQPYHWOIY-STQMWFEESA-N 0 3 324.877 3.255 20 30 DGEDHN CC(C)OCC[NH+]1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000178298414 656037603 /nfs/dbraw/zinc/03/76/03/656037603.db2.gz ZCZXXGRNGYPPGL-XDHOZWIPSA-N 0 3 324.852 3.354 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001025596874 656042595 /nfs/dbraw/zinc/04/25/95/656042595.db2.gz IMXLWKWZDOKTIO-OXQOHEQNSA-N 0 3 322.452 3.110 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC001025596167 656042606 /nfs/dbraw/zinc/04/26/06/656042606.db2.gz YJIADWVXRBFCDI-HIFRSBDPSA-N 0 3 316.470 3.089 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC001025607924 656045930 /nfs/dbraw/zinc/04/59/30/656045930.db2.gz JFTHMGAEFSWNPP-ROUUACIJSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001025611398 656046390 /nfs/dbraw/zinc/04/63/90/656046390.db2.gz KNJJADZOMJVFBK-OXQOHEQNSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3ccccc32)C1 ZINC001025612250 656046994 /nfs/dbraw/zinc/04/69/94/656046994.db2.gz SOISTQBEYYARJY-WMZOPIPTSA-N 0 3 320.436 3.303 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001038330418 656049340 /nfs/dbraw/zinc/04/93/40/656049340.db2.gz SWOHPVJZUUCPDM-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001025619495 656050004 /nfs/dbraw/zinc/05/00/04/656050004.db2.gz XPNJDGXDWHMTEI-OXJNMPFZSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001025631677 656052489 /nfs/dbraw/zinc/05/24/89/656052489.db2.gz CYUYVWIHKCNPDA-BQTPPKLHSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC001025636258 656053667 /nfs/dbraw/zinc/05/36/67/656053667.db2.gz YKXROGMELSSDGN-WMZOPIPTSA-N 0 3 324.468 3.029 20 30 DGEDHN N#Cc1ccccc1CNC1CCC(NC(=O)C2=CCCC2)CC1 ZINC001026476532 656160672 /nfs/dbraw/zinc/16/06/72/656160672.db2.gz ALFVNCLXXITTDC-UHFFFAOYSA-N 0 3 323.440 3.186 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)oc3ccccc32)C(C)(C)C1 ZINC000974618160 656216542 /nfs/dbraw/zinc/21/65/42/656216542.db2.gz CXBXKSYUBYMNLS-QGZVFWFLSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sc(C)cc2C)C(C)(C)C1 ZINC000974621771 656217957 /nfs/dbraw/zinc/21/79/57/656217957.db2.gz BUTFAEQMKXAHOL-CQSZACIVSA-N 0 3 306.475 3.381 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2C(C)C)C(C)(C)C1 ZINC000974643234 656218932 /nfs/dbraw/zinc/21/89/32/656218932.db2.gz JYLBWQJXZJPHNM-SFHVURJKSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccccc2CC)C(C)(C)C1 ZINC000974744938 656226588 /nfs/dbraw/zinc/22/65/88/656226588.db2.gz VYSJRFDHVLTYCB-GOSISDBHSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)ccc2OC)C(C)(C)C1 ZINC000974791143 656230016 /nfs/dbraw/zinc/23/00/16/656230016.db2.gz OHIUNGTXQHEXAT-KRWDZBQOSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cc(C)nc2C)C(C)(C)C1 ZINC000974844793 656233995 /nfs/dbraw/zinc/23/39/95/656233995.db2.gz JDIYRECZUIPUDK-INIZCTEOSA-N 0 3 315.461 3.023 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3ccsc3[nH]2)C(C)(C)C1 ZINC000974894685 656238973 /nfs/dbraw/zinc/23/89/73/656238973.db2.gz MBGWPUPZCONJII-AWEZNQCLSA-N 0 3 317.458 3.246 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)C(C)(C)C1 ZINC000974927184 656242154 /nfs/dbraw/zinc/24/21/54/656242154.db2.gz XPLRITKMNLLMJV-MRXNPFEDSA-N 0 3 318.436 3.459 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)cc(F)c2)C(C)(C)C1 ZINC000975063368 656252583 /nfs/dbraw/zinc/25/25/83/656252583.db2.gz IJRFMVNHFPJOAH-MRXNPFEDSA-N 0 3 304.409 3.150 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sc(C)cc2OC)C(C)(C)C1 ZINC000975107583 656256813 /nfs/dbraw/zinc/25/68/13/656256813.db2.gz HMCHFCWURKUBQN-CQSZACIVSA-N 0 3 322.474 3.081 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(F)cc(Cl)c2)C(C)(C)C1 ZINC000975093785 656257553 /nfs/dbraw/zinc/25/75/53/656257553.db2.gz HVYOHUSHBPTWEU-HNNXBMFYSA-N 0 3 324.827 3.495 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001009194798 656269178 /nfs/dbraw/zinc/26/91/78/656269178.db2.gz IRWNZKIHFRUPSX-CQSZACIVSA-N 0 3 304.459 3.396 20 30 DGEDHN CC(C)CC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027277109 656278386 /nfs/dbraw/zinc/27/83/86/656278386.db2.gz VVOYOQAJOWLXBI-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001009413068 656287364 /nfs/dbraw/zinc/28/73/64/656287364.db2.gz FCAWRDMFJZPSAN-CQSZACIVSA-N 0 3 304.459 3.007 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001027368802 656297141 /nfs/dbraw/zinc/29/71/41/656297141.db2.gz QPKFCIMMNSYSGN-LJQANCHMSA-N 0 3 323.440 3.091 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC001027457445 656310062 /nfs/dbraw/zinc/31/00/62/656310062.db2.gz JMAVVLDSGZRZAK-MRXNPFEDSA-N 0 3 312.457 3.154 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977527152 656339160 /nfs/dbraw/zinc/33/91/60/656339160.db2.gz AIAHVOPJQTXPAI-KRWDZBQOSA-N 0 3 300.446 3.320 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC000977539552 656340683 /nfs/dbraw/zinc/34/06/83/656340683.db2.gz XMZPEZFNMIPYCB-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccccc2Cl)C(C)(C)C1 ZINC000977561536 656343493 /nfs/dbraw/zinc/34/34/93/656343493.db2.gz AWUITRIVFUEVDC-INIZCTEOSA-N 0 3 320.864 3.285 20 30 DGEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001027658800 656388950 /nfs/dbraw/zinc/38/89/50/656388950.db2.gz SPWJRICAKJGLMV-KRWDZBQOSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001027663300 656389131 /nfs/dbraw/zinc/38/91/31/656389131.db2.gz ZIFVLZUNIXUCTP-SFHVURJKSA-N 0 3 312.457 3.154 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001027691897 656396738 /nfs/dbraw/zinc/39/67/38/656396738.db2.gz XBAJLMILKMPQSC-CQSZACIVSA-N 0 3 318.486 3.215 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001038796825 656429291 /nfs/dbraw/zinc/42/92/91/656429291.db2.gz SMMKPNAMBUHGKI-BHYGNILZSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3occc3C)C[C@H]2C1 ZINC000979500078 656431830 /nfs/dbraw/zinc/43/18/30/656431830.db2.gz DCCQPWFCMIOPNH-KKUMJFAQSA-N 0 3 322.836 3.171 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3)C[C@@H]2C1 ZINC000979502336 656432857 /nfs/dbraw/zinc/43/28/57/656432857.db2.gz HQWKZGGYLQUWQS-GVDBMIGSSA-N 0 3 318.848 3.269 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(CCC)s2)CC1 ZINC001052419826 656434849 /nfs/dbraw/zinc/43/48/49/656434849.db2.gz XFUMTCCJLQOWHM-HNNXBMFYSA-N 0 3 318.486 3.308 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2C(C)C)CC1 ZINC001052430911 656435795 /nfs/dbraw/zinc/43/57/95/656435795.db2.gz CYFSIRGRXNKUHR-QGZVFWFLSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C=C3CCC3)C[C@@H]2C1 ZINC000979619214 656438458 /nfs/dbraw/zinc/43/84/58/656438458.db2.gz PTQFTEPYRISSFI-XHSDSOJGSA-N 0 3 308.853 3.066 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001052488832 656439072 /nfs/dbraw/zinc/43/90/72/656439072.db2.gz JXUDPMHQQWJKQK-MSOLQXFVSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2F)CC1 ZINC001052540133 656442824 /nfs/dbraw/zinc/44/28/24/656442824.db2.gz BKPTYMGCIXHCIY-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2coc3ccc(Cl)cc23)C1 ZINC000980282293 656479323 /nfs/dbraw/zinc/47/93/23/656479323.db2.gz BYCKCNQLLBAKHW-ZDUSSCGKSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000980330296 656487416 /nfs/dbraw/zinc/48/74/16/656487416.db2.gz GWRRFYHCMVDWRB-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000980321608 656487740 /nfs/dbraw/zinc/48/77/40/656487740.db2.gz CYQLJBMOIKEADD-HNNXBMFYSA-N 0 3 318.486 3.349 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001039373283 656489566 /nfs/dbraw/zinc/48/95/66/656489566.db2.gz MUBFYWVBLBHTDN-AHRSYUTCSA-N 0 3 322.452 3.226 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(F)c1 ZINC001039386861 656491109 /nfs/dbraw/zinc/49/11/09/656491109.db2.gz IRONGXINHQTQIX-CABCVRRESA-N 0 3 320.383 3.220 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001039420257 656497649 /nfs/dbraw/zinc/49/76/49/656497649.db2.gz KMGHJXZBJMPBOK-IXDOHACOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1F ZINC001039442399 656502344 /nfs/dbraw/zinc/50/23/44/656502344.db2.gz DWQJKGVAWFPOGN-CVEARBPZSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(CC)(CC)c2ccccc2)C1 ZINC000980458525 656506935 /nfs/dbraw/zinc/50/69/35/656506935.db2.gz UVUYMDLETZYKCR-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c[nH]c3c2cccc3CC)C1 ZINC000980482870 656512113 /nfs/dbraw/zinc/51/21/13/656512113.db2.gz DCBUHASEFVIOIA-OAHLLOKOSA-N 0 3 311.429 3.063 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039897129 656540579 /nfs/dbraw/zinc/54/05/79/656540579.db2.gz VIGFDMDYRFBPSQ-SCTDSRPQSA-N 0 3 304.478 3.454 20 30 DGEDHN C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001039983023 656548365 /nfs/dbraw/zinc/54/83/65/656548365.db2.gz AJGMPFCCCHCZOT-BGYRXZFFSA-N 0 3 324.468 3.076 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001027975045 656561370 /nfs/dbraw/zinc/56/13/70/656561370.db2.gz MOHKZNDPBALPFS-HNNXBMFYSA-N 0 3 311.429 3.165 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CC3CCCCC3)C[C@@H]2C1 ZINC001049098725 656562488 /nfs/dbraw/zinc/56/24/88/656562488.db2.gz LVMOUJNRLZVLDH-QRVBRYPASA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@]3(C)CC=CCC3)C2)C1 ZINC001040221624 656570112 /nfs/dbraw/zinc/57/01/12/656570112.db2.gz UCYYOMAJTJAVOH-PMACEKPBSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)C3CCC3)C2)C1 ZINC001040317228 656576274 /nfs/dbraw/zinc/57/62/74/656576274.db2.gz LXZZCEUTMVVHGF-HXUWFJFHSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001027996909 656580913 /nfs/dbraw/zinc/58/09/13/656580913.db2.gz ZDANLPVZQGNXMQ-INIZCTEOSA-N 0 3 304.409 3.158 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3occc3Cl)C2)C1 ZINC001040379297 656583713 /nfs/dbraw/zinc/58/37/13/656583713.db2.gz IIWDFWXBYRZNSY-MRXNPFEDSA-N 0 3 308.809 3.047 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC001040506514 656592143 /nfs/dbraw/zinc/59/21/43/656592143.db2.gz MQOXMLLUWAFGSB-OAQYLSRUSA-N 0 3 324.468 3.371 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028008360 656595422 /nfs/dbraw/zinc/59/54/22/656595422.db2.gz AHUUTQKXFUIBON-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C=C3CCCCC3)C2)CC1 ZINC001040631007 656600694 /nfs/dbraw/zinc/60/06/94/656600694.db2.gz QRHHNCAKTXZMJS-UHFFFAOYSA-N 0 3 314.473 3.215 20 30 DGEDHN C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342106 656608375 /nfs/dbraw/zinc/60/83/75/656608375.db2.gz BQQVZPLSNPUBFJ-DLBZAZTESA-N 0 3 314.429 3.037 20 30 DGEDHN C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342106 656608377 /nfs/dbraw/zinc/60/83/77/656608377.db2.gz BQQVZPLSNPUBFJ-DLBZAZTESA-N 0 3 314.429 3.037 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C(CC)(CC)CC)C2)CC1 ZINC001040895780 656613600 /nfs/dbraw/zinc/61/36/00/656613600.db2.gz HCSFNVBYTYXNAP-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1oc(C)cc1C ZINC001049400870 656613636 /nfs/dbraw/zinc/61/36/36/656613636.db2.gz KPTMFROOPUFNRK-HZPDHXFCSA-N 0 3 302.418 3.151 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)c3cc(C)ccc3C)C2)CC1 ZINC001040925159 656615023 /nfs/dbraw/zinc/61/50/23/656615023.db2.gz CKGAWRRUKLXZLC-UHFFFAOYSA-N 0 3 324.468 3.255 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC001040951765 656616485 /nfs/dbraw/zinc/61/64/85/656616485.db2.gz JFWGSJGCMDPIDG-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(C)CCCC1 ZINC001049463236 656625123 /nfs/dbraw/zinc/62/51/23/656625123.db2.gz YRHALMJHUAYGSZ-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001049474777 656626024 /nfs/dbraw/zinc/62/60/24/656626024.db2.gz RKUMXWMNXJBRSA-RCCFBDPRSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1Cl ZINC001049490720 656628484 /nfs/dbraw/zinc/62/84/84/656628484.db2.gz NKRLTSJTSZBFLA-UONOGXRCSA-N 0 3 322.861 3.104 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)N2CCCN(C(=O)C#CC3CC3)CC2)c1 ZINC000981125859 656630891 /nfs/dbraw/zinc/63/08/91/656630891.db2.gz KHLMZNKZWDZJIR-GOSISDBHSA-N 0 3 324.468 3.312 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126248 656631049 /nfs/dbraw/zinc/63/10/49/656631049.db2.gz RBDQXICWWLSLAA-QGZVFWFLSA-N 0 3 310.441 3.004 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(F)c(C)cc1F ZINC001049537399 656636628 /nfs/dbraw/zinc/63/66/28/656636628.db2.gz OBNCRXQGZDMDLE-DLBZAZTESA-N 0 3 320.383 3.138 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(F)ccc1CC ZINC001049567551 656642318 /nfs/dbraw/zinc/64/23/18/656642318.db2.gz MHOHOQUJOZCJKS-MSOLQXFVSA-N 0 3 316.420 3.253 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(C)CCCCC1 ZINC001049581192 656644748 /nfs/dbraw/zinc/64/47/48/656644748.db2.gz DMEKVSIFMDLMKD-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C2CCC2)CCC1 ZINC001049623051 656651230 /nfs/dbraw/zinc/65/12/30/656651230.db2.gz YHNWSIMMVWOQDW-DLBZAZTESA-N 0 3 302.462 3.208 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001041539351 656653015 /nfs/dbraw/zinc/65/30/15/656653015.db2.gz GUFKKTILLCSAPU-GOSISDBHSA-N 0 3 318.486 3.385 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(OC)cs1 ZINC001049633896 656653302 /nfs/dbraw/zinc/65/33/02/656653302.db2.gz NCRWFOHOFQEDMU-GJZGRUSLSA-N 0 3 320.458 3.012 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2CCC(F)(F)F ZINC001049638267 656654134 /nfs/dbraw/zinc/65/41/34/656654134.db2.gz AGRKNSMZOVJZAU-QWHCGFSZSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccc2ccccc21 ZINC001049675604 656662460 /nfs/dbraw/zinc/66/24/60/656662460.db2.gz IJQADYKMJXPJDE-QZTJIDSGSA-N 0 3 321.424 3.100 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC001041788168 656674703 /nfs/dbraw/zinc/67/47/03/656674703.db2.gz YAYWIFGBWBZXIZ-PXNSSMCTSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC001041803167 656679099 /nfs/dbraw/zinc/67/90/99/656679099.db2.gz BBNYLSGRNLTJFS-NRFANRHFSA-N 0 3 318.420 3.011 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc(CC(C)C)cc3)C2)C1 ZINC001041821472 656681651 /nfs/dbraw/zinc/68/16/51/656681651.db2.gz HZNIDGZZEXUFDN-NRFANRHFSA-N 0 3 324.468 3.056 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001049770391 656683643 /nfs/dbraw/zinc/68/36/43/656683643.db2.gz QVXOEPQLDDSXKD-HCXYKTFWSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccccc1F ZINC001049799146 656688489 /nfs/dbraw/zinc/68/84/89/656688489.db2.gz UIPDHAFXZNLZMA-FHLIZLRMSA-N 0 3 316.420 3.181 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(C)C(C)(C)C3(C)C)C2)C1 ZINC001041860505 656688630 /nfs/dbraw/zinc/68/86/30/656688630.db2.gz FGULSZRUKYOPNY-HXUWFJFHSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2ccncc21 ZINC001049820088 656692171 /nfs/dbraw/zinc/69/21/71/656692171.db2.gz IIJRFINLEWUUHP-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1OC ZINC001049853440 656698706 /nfs/dbraw/zinc/69/87/06/656698706.db2.gz AESXECYPVUEQMR-KBPBESRZSA-N 0 3 320.458 3.012 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041943321 656705376 /nfs/dbraw/zinc/70/53/76/656705376.db2.gz QQLKKYMNGVVUJA-OLZOCXBDSA-N 0 3 308.809 3.046 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c(c1)CCCC2 ZINC001049878792 656711222 /nfs/dbraw/zinc/71/12/22/656711222.db2.gz VFASKNIKNUXTAR-PMACEKPBSA-N 0 3 324.468 3.430 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c(c1)CCCC2 ZINC001049878794 656711519 /nfs/dbraw/zinc/71/15/19/656711519.db2.gz VFASKNIKNUXTAR-UXHICEINSA-N 0 3 324.468 3.430 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21 ZINC001042019335 656713911 /nfs/dbraw/zinc/71/39/11/656713911.db2.gz FHLJHSQGZKLIKO-JSGCOSHPSA-N 0 3 308.809 3.046 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049901242 656716700 /nfs/dbraw/zinc/71/67/00/656716700.db2.gz XXIRHVFLKRMIRX-CABCVRRESA-N 0 3 319.474 3.015 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C2CC2)cc1 ZINC001049908268 656718038 /nfs/dbraw/zinc/71/80/38/656718038.db2.gz LPRPMCHSGACYNQ-RBUKOAKNSA-N 0 3 310.441 3.429 20 30 DGEDHN C=C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2CC#CC)c1ccccc1 ZINC001049907949 656718243 /nfs/dbraw/zinc/71/82/43/656718243.db2.gz FQHGJYJUDZJNHQ-XUVXKRRUSA-N 0 3 322.452 3.045 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C=C)c1ccccc1 ZINC001049912676 656720272 /nfs/dbraw/zinc/72/02/72/656720272.db2.gz NECHVJZTJJVHRT-CEXWTWQISA-N 0 3 310.441 3.208 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@H]21 ZINC001042098227 656721999 /nfs/dbraw/zinc/72/19/99/656721999.db2.gz OFGMAUBDUROCRK-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CF)cc1 ZINC001049923306 656725143 /nfs/dbraw/zinc/72/51/43/656725143.db2.gz KGANSONWIQKYAE-DLBZAZTESA-N 0 3 302.393 3.021 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001049925387 656725970 /nfs/dbraw/zinc/72/59/70/656725970.db2.gz XRKAQSDJJYCERL-ZNVHBHFFSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3c(C)oc(C)c3C)C[C@H]21 ZINC001042142834 656726718 /nfs/dbraw/zinc/72/67/18/656726718.db2.gz ROKBHDUMSUBGNE-DLBZAZTESA-N 0 3 316.445 3.317 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCCCC1(C)C ZINC001049934673 656727914 /nfs/dbraw/zinc/72/79/14/656727914.db2.gz VEJHHXRRIHVVEL-KZNAEPCWSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc2ccccc12 ZINC001049937922 656728322 /nfs/dbraw/zinc/72/83/22/656728322.db2.gz XLWKPVJLWPKXIA-DLBZAZTESA-N 0 3 310.397 3.298 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCC3CCCCCC3)C[C@@H]21 ZINC001042157572 656728626 /nfs/dbraw/zinc/72/86/26/656728626.db2.gz RYXMJZZKMJSFEG-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cccc(F)c3F)C[C@@H]21 ZINC001042205432 656735988 /nfs/dbraw/zinc/73/59/88/656735988.db2.gz BOWGYOTUQYDNGD-CJNGLKHVSA-N 0 3 320.383 3.077 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3C)C[C@H]21 ZINC001042213427 656738169 /nfs/dbraw/zinc/73/81/69/656738169.db2.gz KDZIIFYDDRMFNY-RHSMWYFYSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3csc(Cl)c3)C[C@H]21 ZINC001042252800 656745490 /nfs/dbraw/zinc/74/54/90/656745490.db2.gz ALUKNWYWZDUTMD-DGCLKSJQSA-N 0 3 310.850 3.124 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C34CCC(CC3)C4(C)C)C[C@@H]21 ZINC001042262660 656746708 /nfs/dbraw/zinc/74/67/08/656746708.db2.gz NSHKBFQOUUGGMG-HMFCVHIJSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3oc(CC)cc3C)C[C@H]21 ZINC001042314597 656750198 /nfs/dbraw/zinc/75/01/98/656750198.db2.gz SUNKMFSMOYKRCR-DOTOQJQBSA-N 0 3 316.445 3.263 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(C)c(CC)o3)C[C@H]21 ZINC001042311505 656750275 /nfs/dbraw/zinc/75/02/75/656750275.db2.gz KMNHXTWGCFYQFC-JKSUJKDBSA-N 0 3 316.445 3.263 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@@H]21 ZINC001042317867 656751250 /nfs/dbraw/zinc/75/12/50/656751250.db2.gz COERHPOGWAHAKI-XSLAGTTESA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCc2cccc(Cl)c2)CC1 ZINC000981708138 656752701 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C=CCN1CC[C@@H]2CCN(C(=O)c3cc4ccccc4o3)C[C@H]21 ZINC001042340262 656759224 /nfs/dbraw/zinc/75/92/24/656759224.db2.gz FZKNRMRDQBJJLN-GDBMZVCRSA-N 0 3 310.397 3.155 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C[C@H]21 ZINC001042342262 656759783 /nfs/dbraw/zinc/75/97/83/656759783.db2.gz TVKZJRXYGQUSRI-RBUKOAKNSA-N 0 3 324.468 3.172 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3oc4ccccc4c3C)C[C@H]21 ZINC001042341171 656759888 /nfs/dbraw/zinc/75/98/88/656759888.db2.gz JZEUIVSKOAWCQM-DOTOQJQBSA-N 0 3 324.424 3.464 20 30 DGEDHN C#CCN1CC[C@H]2CCN(C(=O)c3cccc4ccccc43)C[C@@H]21 ZINC001042343748 656760409 /nfs/dbraw/zinc/76/04/09/656760409.db2.gz NRFVVMISOOZOFL-PXNSSMCTSA-N 0 3 318.420 3.009 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC001052786077 656768139 /nfs/dbraw/zinc/76/81/39/656768139.db2.gz ODOYTBQVOWNCEC-YZGWKJHDSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C4CC4)c3)C[C@@H]21 ZINC001042376744 656768848 /nfs/dbraw/zinc/76/88/48/656768848.db2.gz 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DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CC)CC3CCCC3)C2)C1 ZINC001073031482 687003059 /nfs/dbraw/zinc/00/30/59/687003059.db2.gz HADVHAZAFCWGLF-KRWDZBQOSA-N 0 3 304.478 3.313 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3sccc3C(C)C)C2)C1 ZINC001073451206 687195526 /nfs/dbraw/zinc/19/55/26/687195526.db2.gz XMGZKCDHWZAHPH-UHFFFAOYSA-N 0 3 304.459 3.205 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CCc3cc(C)sc3C)C2)C1 ZINC001073471963 687202166 /nfs/dbraw/zinc/20/21/66/687202166.db2.gz XALSKKAWSYWPDW-UHFFFAOYSA-N 0 3 318.486 3.018 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4ccc(C)cc4[nH]3)[C@@H]2C1 ZINC001076099413 687478951 /nfs/dbraw/zinc/47/89/51/687478951.db2.gz ZWAAQZXSECIJHA-QFBILLFUSA-N 0 3 323.440 3.199 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)[C@@H]2C1 ZINC001076287180 687502898 /nfs/dbraw/zinc/50/28/98/687502898.db2.gz IQTIQEFKSPAQCC-BSDSXHPESA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](CC)CC3CCCC3)[C@@H]2C1 ZINC001076318203 687507529 /nfs/dbraw/zinc/50/75/29/687507529.db2.gz NYKRDJZKMVZXQK-FGTMMUONSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)C3CCCCC3)[C@@H]2C1 ZINC001076353539 687512945 /nfs/dbraw/zinc/51/29/45/687512945.db2.gz KIYDQNXIALSQMJ-RYQLBKOJSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCCc4ccccc43)[C@@H]2C1 ZINC001076617162 687543870 /nfs/dbraw/zinc/54/38/70/687543870.db2.gz OBAXJZOCYHIKIA-YSIASYRMSA-N 0 3 324.468 3.215 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)(F)F)cc3)[C@@H]2C1 ZINC001076646976 687546735 /nfs/dbraw/zinc/54/67/35/687546735.db2.gz SQDJQAYCWBFVLY-GOEBONIOSA-N 0 3 320.383 3.131 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sccc2C)C12CCC2 ZINC001078535024 687677886 /nfs/dbraw/zinc/67/78/86/687677886.db2.gz YJLNOCWEFUEPIH-STQMWFEESA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccs2)C12CCC2 ZINC001078538348 687678798 /nfs/dbraw/zinc/67/87/98/687678798.db2.gz CXJMFRBJCYOFJL-UONOGXRCSA-N 0 3 324.877 3.060 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C3CC3)CCC2)C12CCC2 ZINC001078689947 687704777 /nfs/dbraw/zinc/70/47/77/687704777.db2.gz FPLXRPJBTCUTIT-LSDHHAIUSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cc(C)[nH]c2C)C12CCC2 ZINC001078736118 687716921 /nfs/dbraw/zinc/71/69/21/687716921.db2.gz FDKTWGXTJYIZHS-CABCVRRESA-N 0 3 321.852 3.015 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001079810067 687891867 /nfs/dbraw/zinc/89/18/67/687891867.db2.gz NQDGMADYWWMKHE-CRAIPNDOSA-N 0 3 300.446 3.436 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2occc2-c2ccccc2)C1 ZINC001080084315 687919009 /nfs/dbraw/zinc/91/90/09/687919009.db2.gz WKFLBBSXJVBURM-CRAIPNDOSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001080248953 687934800 /nfs/dbraw/zinc/93/48/00/687934800.db2.gz QTPIHNNVIWYUEF-GDBMZVCRSA-N 0 3 304.409 3.069 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001080373227 687965630 /nfs/dbraw/zinc/96/56/30/687965630.db2.gz FNJBTDQBQUWWEM-CZUORRHYSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001080594153 687998617 /nfs/dbraw/zinc/99/86/17/687998617.db2.gz DJRQGNVDVSXTRF-UIXUWTQFSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001080644100 688007441 /nfs/dbraw/zinc/00/74/41/688007441.db2.gz ZPEOIOMFVJLCRA-SZVBFZGTSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001080681816 688008223 /nfs/dbraw/zinc/00/82/23/688008223.db2.gz ITILDWUFRYUSII-NVXWUHKLSA-N 0 3 315.461 3.229 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001080836179 688017370 /nfs/dbraw/zinc/01/73/70/688017370.db2.gz XBOSHHGMNVWVHV-CRAIPNDOSA-N 0 3 300.446 3.436 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001080937427 688029485 /nfs/dbraw/zinc/02/94/85/688029485.db2.gz JQUNUPCJSLFFHO-DNVCBOLYSA-N 0 3 323.440 3.308 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001081035411 688038901 /nfs/dbraw/zinc/03/89/01/688038901.db2.gz FQKSFNUQMSTYLW-DNVCBOLYSA-N 0 3 323.440 3.308 20 30 DGEDHN CCCC[C@@H](N)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC001577412805 1191898541 /nfs/dbraw/zinc/89/85/41/1191898541.db2.gz YNROKMKRFRYKDW-CQSZACIVSA-N 0 3 303.406 3.192 20 30 DGEDHN CCN(CCCNC(=O)[C@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC001660501718 1196491735 /nfs/dbraw/zinc/49/17/35/1196491735.db2.gz FZASWKGFGLVGBE-KGLIPLIRSA-N 0 3 321.852 3.389 20 30 DGEDHN CSc1ccc(Cl)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC001579387684 1191975418 /nfs/dbraw/zinc/97/54/18/1191975418.db2.gz BISSLPAPSISPFT-LBPRGKRZSA-N 0 3 311.838 3.412 20 30 DGEDHN N#CC[C@H](CC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC001580044801 1192004588 /nfs/dbraw/zinc/00/45/88/1192004588.db2.gz JWWORSOGYPCSND-OAHLLOKOSA-N 0 3 305.381 3.316 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC001580049274 1192004646 /nfs/dbraw/zinc/00/46/46/1192004646.db2.gz MSFDEOYNGVRDPI-DLBZAZTESA-N 0 3 305.466 3.359 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001661738000 1196638706 /nfs/dbraw/zinc/63/87/06/1196638706.db2.gz DRZMOYMIIVNZTQ-SJORKVTESA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001663170537 1196804269 /nfs/dbraw/zinc/80/42/69/1196804269.db2.gz CKQKZLQAAFLCHR-CQSZACIVSA-N 0 3 306.837 3.253 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001663276804 1196824926 /nfs/dbraw/zinc/82/49/26/1196824926.db2.gz QQZQOZUUOCOIJQ-GOSISDBHSA-N 0 3 302.462 3.125 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(Cl)cc1Cl ZINC001663692366 1196928939 /nfs/dbraw/zinc/92/89/39/1196928939.db2.gz JGOIVCCLDQTXCQ-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=C1CCC(C[NH2+]Cc2c(C)cc(-c3nnn[n-]3)cc2C)CC1 ZINC001588462453 1192447738 /nfs/dbraw/zinc/44/77/38/1192447738.db2.gz OEBIRBGVTMTULK-UHFFFAOYSA-N 0 3 311.433 3.320 20 30 DGEDHN C=C1CCC(C[NH2+]Cc2c(C)cc(-c3nn[n-]n3)cc2C)CC1 ZINC001588462453 1192447742 /nfs/dbraw/zinc/44/77/42/1192447742.db2.gz OEBIRBGVTMTULK-UHFFFAOYSA-N 0 3 311.433 3.320 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559910 1192449767 /nfs/dbraw/zinc/44/97/67/1192449767.db2.gz LTDKGWOCNUEPKO-XJKSGUPXSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559910 1192449768 /nfs/dbraw/zinc/44/97/68/1192449768.db2.gz LTDKGWOCNUEPKO-XJKSGUPXSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588577617 1192450484 /nfs/dbraw/zinc/45/04/84/1192450484.db2.gz JPASFJAVLONJKN-IAGOWNOFSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588577617 1192450489 /nfs/dbraw/zinc/45/04/89/1192450489.db2.gz JPASFJAVLONJKN-IAGOWNOFSA-N 0 3 311.433 3.058 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2csc(C)c2C)C1 ZINC001664667840 1197030736 /nfs/dbraw/zinc/03/07/36/1197030736.db2.gz QVDSLSKNINSUEY-MRXNPFEDSA-N 0 3 318.486 3.315 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(Cl)cc1 ZINC001596961621 1192713053 /nfs/dbraw/zinc/71/30/53/1192713053.db2.gz XMEGLQYIHNCSRO-HZPDHXFCSA-N 0 3 304.821 3.003 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(Cl)cc1 ZINC001596961619 1192713082 /nfs/dbraw/zinc/71/30/82/1192713082.db2.gz XMEGLQYIHNCSRO-CVEARBPZSA-N 0 3 304.821 3.003 20 30 DGEDHN CCN(CCNC(=O)C1CCCCC1)Cc1cccc(C#N)c1 ZINC001691005900 1176088636 /nfs/dbraw/zinc/08/86/36/1176088636.db2.gz FICSJBMOQBQCTK-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CCC(=CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1)CC ZINC001670460918 1176143604 /nfs/dbraw/zinc/14/36/04/1176143604.db2.gz QJIQZDUPRQRJQB-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cc[nH]c1C ZINC001691991771 1176222144 /nfs/dbraw/zinc/22/21/44/1176222144.db2.gz GCPNVWBPZDBIBS-WBMJQRKESA-N 0 3 323.868 3.296 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC001691797278 1176223247 /nfs/dbraw/zinc/22/32/47/1176223247.db2.gz SROSXKDYNGWFFJ-NVXWUHKLSA-N 0 3 312.413 3.325 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001670729319 1176250755 /nfs/dbraw/zinc/25/07/55/1176250755.db2.gz IMRCWLGFGQGABF-PXNSSMCTSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001691069244 1176292187 /nfs/dbraw/zinc/29/21/87/1176292187.db2.gz XDBYXCFOXNTSTL-SJORKVTESA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001691075650 1176296650 /nfs/dbraw/zinc/29/66/50/1176296650.db2.gz ULBWYHBIOWHCLV-MJGOQNOKSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001691092829 1176306519 /nfs/dbraw/zinc/30/65/19/1176306519.db2.gz ZABZLCIXYVVIRZ-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001691144050 1176337833 /nfs/dbraw/zinc/33/78/33/1176337833.db2.gz FSNAGBLFDJQQQO-JYJNAYRXSA-N 0 3 316.420 3.031 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001691171108 1176355202 /nfs/dbraw/zinc/35/52/02/1176355202.db2.gz NDCMFVGECHQVGO-IEBWSBKVSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C)(C)c1ccccc1)C1CC1 ZINC001691235473 1176407477 /nfs/dbraw/zinc/40/74/77/1176407477.db2.gz ZAXRHXXMFZROGC-UHFFFAOYSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)c1cccc(F)c1)C1CC1 ZINC001691236576 1176407658 /nfs/dbraw/zinc/40/76/58/1176407658.db2.gz GUFYLAWIVXVOJU-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](CC)CC(C)C)C2)CC1 ZINC001691277050 1176420786 /nfs/dbraw/zinc/42/07/86/1176420786.db2.gz MRTYGXHPJQFBLM-ZWKOTPCHSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)n(CC)c1C ZINC001691389438 1176458767 /nfs/dbraw/zinc/45/87/67/1176458767.db2.gz YSJSRDZOUUUSPL-QGZVFWFLSA-N 0 3 317.477 3.237 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001691398391 1176463849 /nfs/dbraw/zinc/46/38/49/1176463849.db2.gz AHAMORUMAQOLJM-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001670735271 1176496539 /nfs/dbraw/zinc/49/65/39/1176496539.db2.gz XSWAEHHTPPMVTJ-YOEHRIQHSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001480917502 1176513360 /nfs/dbraw/zinc/51/33/60/1176513360.db2.gz NLMHURASBNIILR-HNNXBMFYSA-N 0 3 318.461 3.407 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC001699153446 1176620413 /nfs/dbraw/zinc/62/04/13/1176620413.db2.gz QKZJANGHQLUAIK-NSHDSACASA-N 0 3 301.217 3.191 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(C(C)(F)F)CC1)c1ccccc1 ZINC001267369726 1176624485 /nfs/dbraw/zinc/62/44/85/1176624485.db2.gz HDFUKACUWURROM-CQSZACIVSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)OC2CCCCC2)[C@H]1CC ZINC001691477689 1176633972 /nfs/dbraw/zinc/63/39/72/1176633972.db2.gz ABKMOBDOHMSPSF-KSZLIROESA-N 0 3 322.493 3.269 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2cccs2)C(C)(C)C1 ZINC001755142447 1176772409 /nfs/dbraw/zinc/77/24/09/1176772409.db2.gz ALZCNCUGLMFRTL-OAHLLOKOSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](CC)Cc2ccccc2)CC1 ZINC001671428522 1176843565 /nfs/dbraw/zinc/84/35/65/1176843565.db2.gz CBHSKYGCFRGOPG-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1C ZINC001755198021 1176849244 /nfs/dbraw/zinc/84/92/44/1176849244.db2.gz SJVMVGJLJQNTNK-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@H](CC)N(CC)CC)cc21 ZINC001598316527 1192770043 /nfs/dbraw/zinc/77/00/43/1192770043.db2.gz SCCCVKHISMOOFG-INIZCTEOSA-N 0 3 314.433 3.281 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001752533859 1176886988 /nfs/dbraw/zinc/88/69/88/1176886988.db2.gz AAGJHIIIZRWKOZ-VQHPVUNQSA-N 0 3 308.441 3.156 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H](C)C(F)(F)F ZINC001752820795 1177200834 /nfs/dbraw/zinc/20/08/34/1177200834.db2.gz QOSUHWQKNDAUIJ-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2oc(C)nc21)C(C)C ZINC001755815729 1177244666 /nfs/dbraw/zinc/24/46/66/1177244666.db2.gz TXHHNLAMTXBDIT-UHFFFAOYSA-N 0 3 315.417 3.105 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)CC(F)F)C(C)(C)C1 ZINC001700571990 1177310421 /nfs/dbraw/zinc/31/04/21/1177310421.db2.gz AWXXRJZCIHQZDQ-LBPRGKRZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCCC(=O)N1CCC(CCNCc2nc(C)cs2)CC1 ZINC001666194654 1197242579 /nfs/dbraw/zinc/24/25/79/1197242579.db2.gz DNHNYOUWLGSFLL-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCCC1 ZINC001691842424 1177596207 /nfs/dbraw/zinc/59/62/07/1177596207.db2.gz OUEFXSXYHYEPLC-CALCHBBNSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(OCC)cc1 ZINC001691674884 1177674620 /nfs/dbraw/zinc/67/46/20/1177674620.db2.gz OEJQVGGSYSVCDK-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCOc2ccccc2)[C@@H]1C ZINC001691680527 1177681141 /nfs/dbraw/zinc/68/11/41/1177681141.db2.gz WFIPWNQNSUBBQY-AEFFLSMTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)c1ccccc1 ZINC001691678598 1177683347 /nfs/dbraw/zinc/68/33/47/1177683347.db2.gz NZLYNLKITYUBBV-RTBURBONSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@H](C)CC)C2)CC1 ZINC001691689692 1177689744 /nfs/dbraw/zinc/68/97/44/1177689744.db2.gz KBKGEHIQVZWYLH-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001691715650 1177881047 /nfs/dbraw/zinc/88/10/47/1177881047.db2.gz SWQIQDUVOTXCTJ-RYRKJORJSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc3occc32)C1=O ZINC001274625111 1177919468 /nfs/dbraw/zinc/91/94/68/1177919468.db2.gz FSKHPASOPKYECE-IBGZPJMESA-N 0 3 310.397 3.186 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110934688 1177943966 /nfs/dbraw/zinc/94/39/66/1177943966.db2.gz KUMYRVAFKMNRHO-TVFCKZIOSA-N 0 3 322.493 3.125 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C(C)C)cn1 ZINC001330915241 1178091701 /nfs/dbraw/zinc/09/17/01/1178091701.db2.gz JJGRKAMXYMVHEE-CQSZACIVSA-N 0 3 323.868 3.446 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c(F)cccc1F ZINC001330964083 1178101449 /nfs/dbraw/zinc/10/14/49/1178101449.db2.gz YWNUSKOHAXYRKZ-LLVKDONJSA-N 0 3 316.779 3.205 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1ccc(C)c(C)c1 ZINC001330971665 1178102884 /nfs/dbraw/zinc/10/28/84/1178102884.db2.gz NFBXRNLMRXCOML-INIZCTEOSA-N 0 3 322.880 3.473 20 30 DGEDHN C=CCC1(C(=O)N2CCC(N(C)C/C=C\Cl)CC2)CCC1 ZINC001331052926 1178123286 /nfs/dbraw/zinc/12/32/86/1178123286.db2.gz ARPMHQTYJUYVOR-WZUFQYTHSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001331517260 1178232152 /nfs/dbraw/zinc/23/21/52/1178232152.db2.gz FGPYRMDZUYWCEB-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001331600863 1178256472 /nfs/dbraw/zinc/25/64/72/1178256472.db2.gz QPEHROSZCPLMPY-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@](O)(c2ccccc2)C1 ZINC001331660195 1178267960 /nfs/dbraw/zinc/26/79/60/1178267960.db2.gz ZCUXUSWETPRACK-HXUWFJFHSA-N 0 3 322.408 3.050 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CC(C)(C)C ZINC001331955744 1178319750 /nfs/dbraw/zinc/31/97/50/1178319750.db2.gz YNOIKQMTNRBGHT-AEFFLSMTSA-N 0 3 312.457 3.053 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN[C@@H]2CCCc3occc32)c1 ZINC001331962241 1178321751 /nfs/dbraw/zinc/32/17/51/1178321751.db2.gz CHVWUYQRXVYWIC-MRXNPFEDSA-N 0 3 309.369 3.147 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@H]1C ZINC001332175855 1178382020 /nfs/dbraw/zinc/38/20/20/1178382020.db2.gz KGZLCEIMPCCEIC-HKUYNNGSSA-N 0 3 312.457 3.268 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001332414439 1178441014 /nfs/dbraw/zinc/44/10/14/1178441014.db2.gz XXXGERCXXWMBAM-DOTOQJQBSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001332844644 1178506621 /nfs/dbraw/zinc/50/66/21/1178506621.db2.gz TVDZBOBVIFTPNM-RDJZCZTQSA-N 0 3 317.477 3.304 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1)CCOC ZINC001332927803 1178524052 /nfs/dbraw/zinc/52/40/52/1178524052.db2.gz OBYXNDOUTPDDNE-IBGZPJMESA-N 0 3 322.493 3.154 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c(F)c1 ZINC001332928809 1178524285 /nfs/dbraw/zinc/52/42/85/1178524285.db2.gz NDAUCXDVRNDNQG-HZMBPMFUSA-N 0 3 311.788 3.068 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001332949370 1178527308 /nfs/dbraw/zinc/52/73/08/1178527308.db2.gz DUAGOSZWFKFMBM-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CCCC[C@H](C)CC)CC1 ZINC001332949371 1178527908 /nfs/dbraw/zinc/52/79/08/1178527908.db2.gz DUAGOSZWFKFMBM-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCCC23CC3)c(F)c1 ZINC001333473754 1178610695 /nfs/dbraw/zinc/61/06/95/1178610695.db2.gz SBYKYIWEGLABOU-INIZCTEOSA-N 0 3 316.420 3.298 20 30 DGEDHN O[C@]1(CNCC#Cc2ccccc2)CCC[C@@H](C(F)(F)F)C1 ZINC001333716671 1178658503 /nfs/dbraw/zinc/65/85/03/1178658503.db2.gz FVAXJIUPFCVOSO-HZPDHXFCSA-N 0 3 311.347 3.111 20 30 DGEDHN N#Cc1ccc(N[C@H]2CCCN(CCCC(F)(F)F)C2)nc1 ZINC001333867372 1178687103 /nfs/dbraw/zinc/68/71/03/1178687103.db2.gz NMIZPBRXZJXLDS-ZDUSSCGKSA-N 0 3 312.339 3.172 20 30 DGEDHN Cc1ccc(CN2CCCN(c3nc(C)ccc3C#N)CC2)cc1 ZINC001341422674 1179005739 /nfs/dbraw/zinc/00/57/39/1179005739.db2.gz CQWJOTDMBOKYKX-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCc1c[nH]c2c1cccc2Cl ZINC001341490022 1179015793 /nfs/dbraw/zinc/01/57/93/1179015793.db2.gz WECBKNGLNCHBGV-OAHLLOKOSA-N 0 3 319.836 3.164 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCc2c(N)cccc2C1 ZINC001341665553 1179044908 /nfs/dbraw/zinc/04/49/08/1179044908.db2.gz GWEZZKZLPNUGGM-SFHVURJKSA-N 0 3 317.477 3.231 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1C1CCCC1 ZINC001341904175 1179078824 /nfs/dbraw/zinc/07/88/24/1179078824.db2.gz PZCXQVYMDAZBOV-HNNXBMFYSA-N 0 3 323.400 3.204 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCC2(F)F)c1 ZINC001341940950 1179083497 /nfs/dbraw/zinc/08/34/97/1179083497.db2.gz VQIVQXKBZNSNJA-OCCSQVGLSA-N 0 3 320.339 3.468 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NC1(c2ncccn2)CCC1 ZINC001342377719 1179136049 /nfs/dbraw/zinc/13/60/49/1179136049.db2.gz RTHLCLSEVSPFDS-OAHLLOKOSA-N 0 3 318.465 3.050 20 30 DGEDHN N#CC(C(=O)C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644708 1179165497 /nfs/dbraw/zinc/16/54/97/1179165497.db2.gz YGXFKHGCCNXAQT-XYLWRLHESA-N 0 3 302.330 3.437 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001343841708 1179336250 /nfs/dbraw/zinc/33/62/50/1179336250.db2.gz HKGGAODWUXOPDL-IAGOWNOFSA-N 0 3 322.412 3.040 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC001343843576 1179336285 /nfs/dbraw/zinc/33/62/85/1179336285.db2.gz WUAUJJBNPKTEAJ-HTAVTVPLSA-N 0 3 313.323 3.355 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC001344010930 1179363809 /nfs/dbraw/zinc/36/38/09/1179363809.db2.gz HAHKYCKBKWNSQK-MRXNPFEDSA-N 0 3 311.429 3.045 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)CC(F)F ZINC001344322506 1179412170 /nfs/dbraw/zinc/41/21/70/1179412170.db2.gz QSWIXYVGPVVSAL-QMMMGPOBSA-N 0 3 303.740 3.321 20 30 DGEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)Nc1ccccc1Cl ZINC001344544294 1179449630 /nfs/dbraw/zinc/44/96/30/1179449630.db2.gz VFAYGLNGDKQFCV-NWDGAFQWSA-N 0 3 302.761 3.344 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1c(C)noc1C ZINC001479819792 1179468284 /nfs/dbraw/zinc/46/82/84/1179468284.db2.gz IQRUSVHBWNAOIO-PBHICJAKSA-N 0 3 319.449 3.117 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001344868421 1179488732 /nfs/dbraw/zinc/48/87/32/1179488732.db2.gz ATHBXJCBGBNEII-WNRNVDISSA-N 0 3 324.424 3.180 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1sccc1C ZINC001345646598 1179586073 /nfs/dbraw/zinc/58/60/73/1179586073.db2.gz LNLJOWZCORGIBD-CYBMUJFWSA-N 0 3 301.415 3.472 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1cc(C)ccc1C ZINC001345646260 1179586119 /nfs/dbraw/zinc/58/61/19/1179586119.db2.gz HTCWRSXRALPNMC-OAHLLOKOSA-N 0 3 311.385 3.165 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001346096431 1179652806 /nfs/dbraw/zinc/65/28/06/1179652806.db2.gz QFOXYNGXAFQNPU-BDAKNGLRSA-N 0 3 301.724 3.075 20 30 DGEDHN C=C(CC)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC001346128860 1179658648 /nfs/dbraw/zinc/65/86/48/1179658648.db2.gz PCZCVXCONWNQKT-QGZVFWFLSA-N 0 3 304.434 3.161 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001346492828 1179711816 /nfs/dbraw/zinc/71/18/16/1179711816.db2.gz MLWHOMLAFJOASV-JKSUJKDBSA-N 0 3 319.836 3.415 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCCc1ccc(C#N)cc1 ZINC001346750692 1179742757 /nfs/dbraw/zinc/74/27/57/1179742757.db2.gz LOMZULSMINDVIW-UHFFFAOYSA-N 0 3 314.429 3.297 20 30 DGEDHN C=C(CC)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC001347054344 1179772653 /nfs/dbraw/zinc/77/26/53/1179772653.db2.gz ZJGSOVNCZDAKJD-KRWDZBQOSA-N 0 3 324.428 3.235 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC(F)F)c1cccc(F)n1 ZINC001347123225 1179779816 /nfs/dbraw/zinc/77/98/16/1179779816.db2.gz JPIITTJITNSIBJ-SNVBAGLBSA-N 0 3 306.243 3.312 20 30 DGEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccncc1 ZINC001347992801 1179825026 /nfs/dbraw/zinc/82/50/26/1179825026.db2.gz IVTPQIKRRBBDTN-GXFFZTMASA-N 0 3 301.296 3.125 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2sc(C)nc2C)CC1 ZINC001479996382 1179986840 /nfs/dbraw/zinc/98/68/40/1179986840.db2.gz GOBYFGITWSZVMW-UHFFFAOYSA-N 0 3 321.490 3.263 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccccc2C)CC1 ZINC001479996970 1179993240 /nfs/dbraw/zinc/99/32/40/1179993240.db2.gz YQWKBCUPRSKVJY-UHFFFAOYSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602852466 1193000361 /nfs/dbraw/zinc/00/03/61/1193000361.db2.gz QKPDEBCGXOQYBX-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602852466 1193000365 /nfs/dbraw/zinc/00/03/65/1193000365.db2.gz QKPDEBCGXOQYBX-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602852466 1193000368 /nfs/dbraw/zinc/00/03/68/1193000368.db2.gz QKPDEBCGXOQYBX-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602852466 1193000371 /nfs/dbraw/zinc/00/03/71/1193000371.db2.gz QKPDEBCGXOQYBX-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C#Cc1ccc(CN2CCCC[C@H]2COC(=O)N(C)CC)cc1 ZINC001621318613 1193020213 /nfs/dbraw/zinc/02/02/13/1193020213.db2.gz KSMJLBXFQBXAHR-SFHVURJKSA-N 0 3 314.429 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC001353102804 1180463562 /nfs/dbraw/zinc/46/35/62/1180463562.db2.gz SBWFKSDKHWBRGJ-BBRMVZONSA-N 0 3 314.433 3.060 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCc1ccccc1C(F)(F)F ZINC001353211352 1180496727 /nfs/dbraw/zinc/49/67/27/1180496727.db2.gz AGMBIWOUBQBPOO-AWEZNQCLSA-N 0 3 314.351 3.048 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001480467318 1180527835 /nfs/dbraw/zinc/52/78/35/1180527835.db2.gz YSLDSXDOKPFEMG-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001100411626 1180663775 /nfs/dbraw/zinc/66/37/75/1180663775.db2.gz JTZLNVUMTJHDSY-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100559901 1180791103 /nfs/dbraw/zinc/79/11/03/1180791103.db2.gz PAXLPOAKRSRXQJ-UHFFFAOYSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100597422 1180837142 /nfs/dbraw/zinc/83/71/42/1180837142.db2.gz UUNVLYYESRTEJP-NFOMZHRRSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(CCC)CCC)C1 ZINC001100616314 1180853072 /nfs/dbraw/zinc/85/30/72/1180853072.db2.gz QIFQOFJCTCGUIX-UHFFFAOYSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100645127 1180886316 /nfs/dbraw/zinc/88/63/16/1180886316.db2.gz VHCQASDDADYNGI-QOZQQMKHSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200823438 1180940727 /nfs/dbraw/zinc/94/07/27/1180940727.db2.gz JCBGJBNSOZHFEE-XFXZXTDPSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100711546 1180956443 /nfs/dbraw/zinc/95/64/43/1180956443.db2.gz VKORMACBHHEJNA-UHFFFAOYSA-N 0 3 318.436 3.412 20 30 DGEDHN O=C1C=C2CN(C(=S)Nc3ccccc3Cl)CCC2S1 ZINC001200855463 1180975160 /nfs/dbraw/zinc/97/51/60/1180975160.db2.gz LIRMNFWYGGKPKX-GFCCVEGCSA-N 0 3 324.858 3.311 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001355270760 1181024486 /nfs/dbraw/zinc/02/44/86/1181024486.db2.gz WUDZGHVDYRLPLH-XHDPSFHLSA-N 0 3 322.836 3.136 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001355270753 1181024898 /nfs/dbraw/zinc/02/48/98/1181024898.db2.gz WUDZGHVDYRLPLH-ABAIWWIYSA-N 0 3 322.836 3.136 20 30 DGEDHN C=CC[C@@H](C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001473435713 1181522493 /nfs/dbraw/zinc/52/24/93/1181522493.db2.gz CAZJCPDWSCKYRI-RHSMWYFYSA-N 0 3 303.837 3.487 20 30 DGEDHN C=CC[C@H](C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001473435715 1181522854 /nfs/dbraw/zinc/52/28/54/1181522854.db2.gz CAZJCPDWSCKYRI-YOEHRIQHSA-N 0 3 303.837 3.487 20 30 DGEDHN CCCCC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001480718458 1181687648 /nfs/dbraw/zinc/68/76/48/1181687648.db2.gz KKVDOGXQTSQOLY-GOSISDBHSA-N 0 3 313.445 3.171 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cccc(-c2cccc(C)c2)c1 ZINC001450484643 1182250464 /nfs/dbraw/zinc/25/04/64/1182250464.db2.gz HHRXFCHOHRYKOD-UHFFFAOYSA-N 0 3 320.436 3.347 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001459808581 1182617524 /nfs/dbraw/zinc/61/75/24/1182617524.db2.gz LLEAYCWOKHXROI-QBIMZIAESA-N 0 3 319.424 3.309 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(Cl)ccc1OCC#N ZINC001460033237 1182642435 /nfs/dbraw/zinc/64/24/35/1182642435.db2.gz RQGITJYRNKUUPV-UHFFFAOYSA-N 0 3 321.852 3.182 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC001460758494 1182718922 /nfs/dbraw/zinc/71/89/22/1182718922.db2.gz LUJHYGBOYCJRKT-IXDOHACOSA-N 0 3 310.441 3.088 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(Cl)cc1F ZINC001460803530 1182724708 /nfs/dbraw/zinc/72/47/08/1182724708.db2.gz VKPRCWFUZPCUIH-HOTGVXAUSA-N 0 3 322.811 3.142 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H]2CCc3cccc4cccc2c43)C1=O ZINC001460811460 1182725812 /nfs/dbraw/zinc/72/58/12/1182725812.db2.gz IGLCSPSGQAZFPH-ZWKOTPCHSA-N 0 3 306.409 3.204 20 30 DGEDHN C=CCN1CC[C@H](N[C@H]2CCc3cccc4cccc2c43)C1=O ZINC001460811459 1182726201 /nfs/dbraw/zinc/72/62/01/1182726201.db2.gz IGLCSPSGQAZFPH-ROUUACIJSA-N 0 3 306.409 3.204 20 30 DGEDHN C#CCC1(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CCC1 ZINC001460822474 1182727468 /nfs/dbraw/zinc/72/74/68/1182727468.db2.gz YQOIMJZSEUGELW-OAHLLOKOSA-N 0 3 316.832 3.371 20 30 DGEDHN C#CCC[C@H](O)CNCc1cc2cccc(C)c2nc1Cl ZINC001461727904 1182846445 /nfs/dbraw/zinc/84/64/45/1182846445.db2.gz FUAPZILJEFNLTF-HNNXBMFYSA-N 0 3 302.805 3.061 20 30 DGEDHN C#C[C@H](NCc1ccc(C(=O)OCc2ccccc2)[nH]1)C(C)C ZINC001462217855 1182925352 /nfs/dbraw/zinc/92/53/52/1182925352.db2.gz GIDADFRNEVPEIS-KRWDZBQOSA-N 0 3 310.397 3.119 20 30 DGEDHN Cc1nsc(N2CCN(CC(C(C)C)C(C)C)CC2)c1C#N ZINC001462291174 1182935459 /nfs/dbraw/zinc/93/54/59/1182935459.db2.gz OAYCVPLJQPOBQD-UHFFFAOYSA-N 0 3 320.506 3.373 20 30 DGEDHN C#CCCN(CCOC)Cc1cc(C)cc(Br)c1 ZINC001462459961 1182955028 /nfs/dbraw/zinc/95/50/28/1182955028.db2.gz QEEAITOSMVIXNX-UHFFFAOYSA-N 0 3 310.235 3.229 20 30 DGEDHN CC(C)Oc1ccc(NC(=O)C2(N(C)C)CCCC2)cc1C#N ZINC001466186740 1183191589 /nfs/dbraw/zinc/19/15/89/1183191589.db2.gz RQSSZZIIEFJBPA-UHFFFAOYSA-N 0 3 315.417 3.158 20 30 DGEDHN C=C1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001469315539 1183399613 /nfs/dbraw/zinc/39/96/13/1183399613.db2.gz DELFABUVRVTGCL-AEFFLSMTSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CC1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC001472509261 1183649997 /nfs/dbraw/zinc/64/99/97/1183649997.db2.gz RQXVUCMXDLZLDM-SFHVURJKSA-N 0 3 316.445 3.159 20 30 DGEDHN CCC(C)(C)[NH2+][C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001472619638 1183657225 /nfs/dbraw/zinc/65/72/25/1183657225.db2.gz RXJLPRQQMIMVMZ-OAHLLOKOSA-N 0 3 306.450 3.394 20 30 DGEDHN CC(C)(C#N)CCCN1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001473184068 1183725291 /nfs/dbraw/zinc/72/52/91/1183725291.db2.gz HELSUXXUSIZRLF-QGZVFWFLSA-N 0 3 313.445 3.211 20 30 DGEDHN CCc1ccc([C@@H](O)CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC001474143531 1183873825 /nfs/dbraw/zinc/87/38/25/1183873825.db2.gz GDKFHQVDQYDRKA-FQEVSTJZSA-N 0 3 323.440 3.010 20 30 DGEDHN C#C[C@H](N[C@@H]1CCCN(CC)C1)c1ccc(Br)cc1 ZINC001474545733 1183938066 /nfs/dbraw/zinc/93/80/66/1183938066.db2.gz IAXBVAHNNSXVOQ-CVEARBPZSA-N 0 3 321.262 3.197 20 30 DGEDHN C=CCCC(C)(C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001474660128 1183956807 /nfs/dbraw/zinc/95/68/07/1183956807.db2.gz CTUZQNNHAMLQJO-UHFFFAOYSA-N 0 3 308.378 3.391 20 30 DGEDHN Cc1cccc(Cl)c1CNC[C@H](C)N(C)C(=O)C#CC(C)C ZINC001496051010 1184055554 /nfs/dbraw/zinc/05/55/54/1184055554.db2.gz OHAJYPOVSWJZQQ-HNNXBMFYSA-N 0 3 320.864 3.244 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCCC1 ZINC001477926605 1184118964 /nfs/dbraw/zinc/11/89/64/1184118964.db2.gz JOZYOWWXBREGPX-HNNXBMFYSA-N 0 3 305.466 3.049 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001478651739 1184165849 /nfs/dbraw/zinc/16/58/49/1184165849.db2.gz YGHQSSSTIXNGFL-LJQANCHMSA-N 0 3 315.461 3.162 20 30 DGEDHN C=C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC001478767560 1184173828 /nfs/dbraw/zinc/17/38/28/1184173828.db2.gz ZREJAEAFTBCZRB-AEFFLSMTSA-N 0 3 313.445 3.011 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001479254485 1184217527 /nfs/dbraw/zinc/21/75/27/1184217527.db2.gz NTPXFNFGPLFMLL-HKUYNNGSSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc(C)o1 ZINC001479252571 1184217848 /nfs/dbraw/zinc/21/78/48/1184217848.db2.gz NGVMOCPOCFWBLU-HZPDHXFCSA-N 0 3 304.434 3.190 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)CC)C2)CC1 ZINC001479502163 1184260779 /nfs/dbraw/zinc/26/07/79/1184260779.db2.gz NBQNQNDWXUCPCE-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC001479698771 1184293470 /nfs/dbraw/zinc/29/34/70/1184293470.db2.gz BXOQUPAAPFXWMW-PBHICJAKSA-N 0 3 311.429 3.213 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]3c3ccccc3)C2)C1 ZINC001479758403 1184314402 /nfs/dbraw/zinc/31/44/02/1184314402.db2.gz HFFZIDOBDCBDKA-RTBURBONSA-N 0 3 324.468 3.291 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccns1 ZINC001479825334 1184339176 /nfs/dbraw/zinc/33/91/76/1184339176.db2.gz PJVXQXWAWFRGRK-HOCLYGCPSA-N 0 3 321.490 3.359 20 30 DGEDHN CC#CCN(CCCNC(=O)CCC1CCCCC1)C1CC1 ZINC001479879282 1184362459 /nfs/dbraw/zinc/36/24/59/1184362459.db2.gz CLJZXBGXPFSGRY-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2(CCOCC)CCCC2)CC1 ZINC001479893675 1184366488 /nfs/dbraw/zinc/36/64/88/1184366488.db2.gz VOHMFRXCNXWQNB-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC001479987222 1184403922 /nfs/dbraw/zinc/40/39/22/1184403922.db2.gz WVRUXYRXGIJBEB-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1scnc1C)C1CC1 ZINC001480045624 1184416794 /nfs/dbraw/zinc/41/67/94/1184416794.db2.gz ZAUGBZPCBUWOHW-RHSMWYFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CC=CCC1 ZINC001480095610 1184434460 /nfs/dbraw/zinc/43/44/60/1184434460.db2.gz SZOMWCFZLUGHAW-SCTDSRPQSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001480100662 1184434671 /nfs/dbraw/zinc/43/46/71/1184434671.db2.gz BASFGUHINVWNIO-RDGPPVDQSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001480143308 1184444126 /nfs/dbraw/zinc/44/41/26/1184444126.db2.gz XHZIVRBJNKVQOJ-SHTZXODSSA-N 0 3 306.837 3.433 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001480240686 1184467623 /nfs/dbraw/zinc/46/76/23/1184467623.db2.gz ZYKYPZLVBWEZRT-XYPHTWIQSA-N 0 3 320.864 3.163 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1CCCN(CC#CC)C1)c1ccccc1 ZINC001480269950 1184477033 /nfs/dbraw/zinc/47/70/33/1184477033.db2.gz RPSGQPBTGARNRU-QUCCMNQESA-N 0 3 324.468 3.198 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@H](C)c2ccccc2)C1 ZINC001480269080 1184477298 /nfs/dbraw/zinc/47/72/98/1184477298.db2.gz XDMXKDVPGPGSAN-ZWKOTPCHSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001480363669 1184506798 /nfs/dbraw/zinc/50/67/98/1184506798.db2.gz YKRIZVOCIQUHBQ-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN CCC[C@@H](CC)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001480622741 1184563128 /nfs/dbraw/zinc/56/31/28/1184563128.db2.gz ZUVKNEBENZSYRS-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(CCc2ccccc2)CC1 ZINC001493167694 1184662731 /nfs/dbraw/zinc/66/27/31/1184662731.db2.gz KPTPSWSSAVKDCD-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001493183316 1184664535 /nfs/dbraw/zinc/66/45/35/1184664535.db2.gz AZZFXLJVQCLFKZ-HNNXBMFYSA-N 0 3 306.837 3.244 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001493256976 1184676327 /nfs/dbraw/zinc/67/63/27/1184676327.db2.gz FREWYQXMJFMASF-MJGOQNOKSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001493272036 1184678780 /nfs/dbraw/zinc/67/87/80/1184678780.db2.gz SUPHBTWQUGCEBC-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC(=O)NCCN(C1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001493355016 1184691364 /nfs/dbraw/zinc/69/13/64/1184691364.db2.gz QYHRBORYMXRYSC-GOSISDBHSA-N 0 3 316.420 3.360 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccco1)c1ccc(C(C)C)cc1 ZINC001493878963 1184756229 /nfs/dbraw/zinc/75/62/29/1184756229.db2.gz NPQKWDIMDCTDCU-SFHVURJKSA-N 0 3 324.424 3.487 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1scnc1C)c1ccccc1 ZINC001493883199 1184757316 /nfs/dbraw/zinc/75/73/16/1184757316.db2.gz HXTBQFGSKWXTGK-OAHLLOKOSA-N 0 3 315.442 3.088 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc[nH]1)c1ccc(C(C)C)cc1 ZINC001493879992 1184757566 /nfs/dbraw/zinc/75/75/66/1184757566.db2.gz YIADZYGKSFGLHW-LJQANCHMSA-N 0 3 323.440 3.222 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc(C)c(C)cn1)c1ccccc1 ZINC001493893355 1184759619 /nfs/dbraw/zinc/75/96/19/1184759619.db2.gz SPEDEVOLHQLOSX-IBGZPJMESA-N 0 3 323.440 3.335 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C(F)F)o1)c1ccccc1 ZINC001493904216 1184762357 /nfs/dbraw/zinc/76/23/57/1184762357.db2.gz PGJZSGYLZCRJPZ-ZDUSSCGKSA-N 0 3 320.339 3.464 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001493913320 1184763757 /nfs/dbraw/zinc/76/37/57/1184763757.db2.gz ARRKLBGZBKTFPN-BGYRXZFFSA-N 0 3 324.468 3.098 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001493966349 1184778105 /nfs/dbraw/zinc/77/81/05/1184778105.db2.gz CDNGXPZYAQESML-SFHVURJKSA-N 0 3 323.440 3.118 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001494288342 1184845327 /nfs/dbraw/zinc/84/53/27/1184845327.db2.gz HEKXKJDZQZDLRK-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001494324681 1184855791 /nfs/dbraw/zinc/85/57/91/1184855791.db2.gz UZWADQHNBRISNF-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001494324864 1184856315 /nfs/dbraw/zinc/85/63/15/1184856315.db2.gz SKGAMOFRVXTUDD-SFHVURJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCC1(C(=O)NCC2CN(CC3=CCCCC3)C2)CCC1 ZINC001494589870 1184891290 /nfs/dbraw/zinc/89/12/90/1184891290.db2.gz BYBNNLAVPSTPPY-UHFFFAOYSA-N 0 3 302.462 3.281 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001494718877 1184911931 /nfs/dbraw/zinc/91/19/31/1184911931.db2.gz WZUIXSXCVFDXML-KRWDZBQOSA-N 0 3 300.446 3.206 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001494718876 1184912771 /nfs/dbraw/zinc/91/27/71/1184912771.db2.gz WWVMKRKNQQMQQX-WMZOPIPTSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001494728763 1184914095 /nfs/dbraw/zinc/91/40/95/1184914095.db2.gz RGJZRRHDPBBAIY-CABCVRRESA-N 0 3 304.409 3.086 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001494767194 1184922680 /nfs/dbraw/zinc/92/26/80/1184922680.db2.gz BTVSQZFNOTVYFB-DOTOQJQBSA-N 0 3 320.502 3.474 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001494819005 1184934058 /nfs/dbraw/zinc/93/40/58/1184934058.db2.gz JPQJMVCDMILGSU-HXUWFJFHSA-N 0 3 324.468 3.256 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN([C@@H](C)COC)C2)CCCCC1 ZINC001494877147 1184952820 /nfs/dbraw/zinc/95/28/20/1184952820.db2.gz UDNVSOPMYOJJPE-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001494890116 1184955767 /nfs/dbraw/zinc/95/57/67/1184955767.db2.gz NFYKIRCZRAIYRS-INIZCTEOSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC/C=C\c2ccccc2)C1 ZINC001494911209 1184961577 /nfs/dbraw/zinc/96/15/77/1184961577.db2.gz SVVUEDOHJMIWRC-CXOXVUTBSA-N 0 3 324.468 3.426 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001494916515 1184962921 /nfs/dbraw/zinc/96/29/21/1184962921.db2.gz HWWDKNBPLHGGAU-MOPGFXCFSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2c(C)onc2CC)CCCC1 ZINC001495133740 1185001792 /nfs/dbraw/zinc/00/17/92/1185001792.db2.gz AYGWJERKZHJAFQ-UHFFFAOYSA-N 0 3 319.449 3.030 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1 ZINC001495487348 1185062703 /nfs/dbraw/zinc/06/27/03/1185062703.db2.gz CJSXVZLLVQUXRW-ZWKOTPCHSA-N 0 3 312.457 3.098 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC001495490896 1185063041 /nfs/dbraw/zinc/06/30/41/1185063041.db2.gz WNLXJFHPPLVFIM-RBUKOAKNSA-N 0 3 324.468 3.264 20 30 DGEDHN C=CCCCC(=O)NCCC1CCN(Cc2cnc(C)o2)CC1 ZINC001495527589 1185069334 /nfs/dbraw/zinc/06/93/34/1185069334.db2.gz XMFBBLBUOXVUOR-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ncccc2C)CCCC1 ZINC001495940085 1185115897 /nfs/dbraw/zinc/11/58/97/1185115897.db2.gz VBQGQGDQFKDEEQ-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)C1CCCCC1 ZINC001495993102 1185123367 /nfs/dbraw/zinc/12/33/67/1185123367.db2.gz PWHNXDDSUNNUFD-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CCC1(C)CC1 ZINC001496194183 1185147124 /nfs/dbraw/zinc/14/71/24/1185147124.db2.gz IMBVQRMBWDXCRM-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN CC(C)CC(=O)N[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC001496258732 1185156685 /nfs/dbraw/zinc/15/66/85/1185156685.db2.gz VYDXXQCPTHMVDE-LJQANCHMSA-N 0 3 314.473 3.205 20 30 DGEDHN C[C@@H]1CCCN(C(=O)CC2CC2)[C@@H]1CNCC#Cc1ccccc1 ZINC001496472209 1185195010 /nfs/dbraw/zinc/19/50/10/1185195010.db2.gz ZGJUBWXKJOXAMD-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccoc1CCC)C(C)C ZINC001496630226 1185223168 /nfs/dbraw/zinc/22/31/68/1185223168.db2.gz VMBGZKVANAHQKW-CQSZACIVSA-N 0 3 312.841 3.329 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001497241155 1185302245 /nfs/dbraw/zinc/30/22/45/1185302245.db2.gz LTYYJAMCPHDHOF-OAHLLOKOSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001497256278 1185304342 /nfs/dbraw/zinc/30/43/42/1185304342.db2.gz PZDJHAQQMHYNHQ-CYBMUJFWSA-N 0 3 311.857 3.228 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)/C=C\C(C)(C)C ZINC001497361218 1185321385 /nfs/dbraw/zinc/32/13/85/1185321385.db2.gz AQKQTJYVBVFPJQ-KTKRTIGZSA-N 0 3 313.445 3.099 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1coc2ccc(CC)cc12 ZINC001497384354 1185325185 /nfs/dbraw/zinc/32/51/85/1185325185.db2.gz VQANARZPZQPYNZ-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccc(F)cc1 ZINC001497437796 1185333519 /nfs/dbraw/zinc/33/35/19/1185333519.db2.gz YURQSIWVWTUGCT-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001498087295 1185434492 /nfs/dbraw/zinc/43/44/92/1185434492.db2.gz OMKABOWLBLLEOY-HNNXBMFYSA-N 0 3 317.477 3.402 20 30 DGEDHN C[C@H](CN(C)[C@H](C)c1ccc(Cl)cc1)NC(=O)C#CC1CC1 ZINC001498277126 1185462388 /nfs/dbraw/zinc/46/23/88/1185462388.db2.gz PMJFVLKPXXTKPR-ZIAGYGMSSA-N 0 3 318.848 3.251 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001498277125 1185462739 /nfs/dbraw/zinc/46/27/39/1185462739.db2.gz PMJFVLKPXXTKPR-UONOGXRCSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(OC)c1 ZINC001498355434 1185476645 /nfs/dbraw/zinc/47/66/45/1185476645.db2.gz LZGAUJCHFQMEPS-HNNXBMFYSA-N 0 3 318.461 3.152 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nocc2C)[C@H](CC)C1 ZINC001498889541 1185564381 /nfs/dbraw/zinc/56/43/81/1185564381.db2.gz LKJKGOYRESHDJD-CVEARBPZSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001498966857 1185583901 /nfs/dbraw/zinc/58/39/01/1185583901.db2.gz GGFDSUJTLCMENE-MJGOQNOKSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001499022506 1185591791 /nfs/dbraw/zinc/59/17/91/1185591791.db2.gz WZBALMFGVDOLJH-WMZOPIPTSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001499031012 1185594328 /nfs/dbraw/zinc/59/43/28/1185594328.db2.gz PHHXXLWIMFAULV-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001499050365 1185600662 /nfs/dbraw/zinc/60/06/62/1185600662.db2.gz NGXCZFZOTVUAMV-KRWDZBQOSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001499067242 1185603893 /nfs/dbraw/zinc/60/38/93/1185603893.db2.gz UBVKSIJCMFFBRJ-MRXNPFEDSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001499073337 1185604734 /nfs/dbraw/zinc/60/47/34/1185604734.db2.gz YGFMUDHRWLWQPI-INIZCTEOSA-N 0 3 320.864 3.384 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001499074356 1185605477 /nfs/dbraw/zinc/60/54/77/1185605477.db2.gz RQDBXKZMRDUHAY-RTBURBONSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001499082344 1185606359 /nfs/dbraw/zinc/60/63/59/1185606359.db2.gz SYXXFFUFGVFLGT-YJBOKZPZSA-N 0 3 300.446 3.119 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001499113414 1185614946 /nfs/dbraw/zinc/61/49/46/1185614946.db2.gz YHXNRYHYBSLVBO-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CC3(C=C)CCCCC3)C2)C1 ZINC001499610020 1185677765 /nfs/dbraw/zinc/67/77/65/1185677765.db2.gz LHEJTTJFYUEEJE-FQEVSTJZSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001499616255 1185678796 /nfs/dbraw/zinc/67/87/96/1185678796.db2.gz MQARUPFWYMYYEA-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Cc2ccccc2C)CC1 ZINC001500012660 1185731103 /nfs/dbraw/zinc/73/11/03/1185731103.db2.gz HDRBYFMHHKYTJC-QGZVFWFLSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)C1CCN(CC(=C)C)CC1 ZINC001500047276 1185734074 /nfs/dbraw/zinc/73/40/74/1185734074.db2.gz MZXAGRQZXRNFRK-IEBWSBKVSA-N 0 3 316.489 3.171 20 30 DGEDHN C#CCNC[C@@H](NC(=O)CC(C)C)c1ccc2ccccc2c1 ZINC001500060502 1185736339 /nfs/dbraw/zinc/73/63/39/1185736339.db2.gz RNPGCDIEWXLDGX-LJQANCHMSA-N 0 3 308.425 3.266 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ncccc1C)C1CCCC1 ZINC001500074373 1185738322 /nfs/dbraw/zinc/73/83/22/1185738322.db2.gz BQASMNPUENVIGG-SFHVURJKSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001500351969 1185778149 /nfs/dbraw/zinc/77/81/49/1185778149.db2.gz LDSMIGSTOIMTFU-JEMSNHSXSA-N 0 3 319.276 3.490 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2cccc(Cl)c2)C1 ZINC001500519963 1185815676 /nfs/dbraw/zinc/81/56/76/1185815676.db2.gz WENDVKPJPZDHKA-GOSISDBHSA-N 0 3 320.864 3.287 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCCc1ccccc1 ZINC001501396219 1185900142 /nfs/dbraw/zinc/90/01/42/1185900142.db2.gz UINMONRPZCBRCC-UXHICEINSA-N 0 3 324.468 3.098 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001501402972 1185900627 /nfs/dbraw/zinc/90/06/27/1185900627.db2.gz BNFKPMXPBXIIPA-FGTMMUONSA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2ccco2)cc1 ZINC001501681419 1185921409 /nfs/dbraw/zinc/92/14/09/1185921409.db2.gz IMMDTGCTCHVWSC-JKSUJKDBSA-N 0 3 324.424 3.058 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CCCCC)cccc2C1 ZINC001501850366 1185932201 /nfs/dbraw/zinc/93/22/01/1185932201.db2.gz DGYCRAXKJDRKMF-UHFFFAOYSA-N 0 3 312.457 3.265 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001501948179 1185940665 /nfs/dbraw/zinc/94/06/65/1185940665.db2.gz GJFXBFPCAZNKBT-UHFFFAOYSA-N 0 3 316.420 3.004 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CC[C@H]2CCc3ccccc32)CC1 ZINC001502147182 1185962541 /nfs/dbraw/zinc/96/25/41/1185962541.db2.gz DKHFRCSZVVPHNA-RTBURBONSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CCC(C)(C)c1ccccc1 ZINC001502403188 1185980431 /nfs/dbraw/zinc/98/04/31/1185980431.db2.gz IDBGKWBEZNSVQF-UHFFFAOYSA-N 0 3 314.473 3.158 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCCC)C1 ZINC001502404293 1185981020 /nfs/dbraw/zinc/98/10/20/1185981020.db2.gz FDCAERKUWSRVLT-ROUUACIJSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CC)(NCc2nocc2C)CC1 ZINC001502503213 1185989259 /nfs/dbraw/zinc/98/92/59/1185989259.db2.gz IRJITQPIPQGRJI-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C/CC ZINC001502521366 1185990641 /nfs/dbraw/zinc/99/06/41/1185990641.db2.gz BRJUIASTVWCFRL-SCFJZMLDSA-N 0 3 312.457 3.462 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@H](C)SC)cc2C1 ZINC001502646915 1185999293 /nfs/dbraw/zinc/99/92/93/1185999293.db2.gz CSYFTAAIPDGZNG-AWEZNQCLSA-N 0 3 318.486 3.336 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)C(C)(C)C1 ZINC001502831293 1186020900 /nfs/dbraw/zinc/02/09/00/1186020900.db2.gz ZBPLHWYTMOTMJR-ZDUSSCGKSA-N 0 3 316.436 3.461 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001502836380 1186021487 /nfs/dbraw/zinc/02/14/87/1186021487.db2.gz OPMWCHKTWKZAMZ-ZWKOTPCHSA-N 0 3 312.457 3.359 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001503678905 1186051717 /nfs/dbraw/zinc/05/17/17/1186051717.db2.gz USWJWDNVSIJATC-IBGZPJMESA-N 0 3 312.457 3.304 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001505671240 1186120998 /nfs/dbraw/zinc/12/09/98/1186120998.db2.gz OXKFERPLBXZZPD-KGLIPLIRSA-N 0 3 322.399 3.141 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001505671241 1186121491 /nfs/dbraw/zinc/12/14/91/1186121491.db2.gz OXKFERPLBXZZPD-UONOGXRCSA-N 0 3 322.399 3.141 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CCCc1ccc(Cl)cc1 ZINC001505952737 1186169927 /nfs/dbraw/zinc/16/99/27/1186169927.db2.gz GOQGCCPLUCZNKO-AWEZNQCLSA-N 0 3 308.853 3.285 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001505993525 1186176421 /nfs/dbraw/zinc/17/64/21/1186176421.db2.gz XUNDMAGWYNWDMY-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001506014648 1186182061 /nfs/dbraw/zinc/18/20/61/1186182061.db2.gz GGGVKMYXXWAYCJ-BXWFABGCSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001506012735 1186182510 /nfs/dbraw/zinc/18/25/10/1186182510.db2.gz LSOOMUIRABIYOD-UONOGXRCSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001506579201 1186255479 /nfs/dbraw/zinc/25/54/79/1186255479.db2.gz MDAQAELWYBDUBR-SJORKVTESA-N 0 3 316.445 3.001 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001506620078 1186262631 /nfs/dbraw/zinc/26/26/31/1186262631.db2.gz QIIWVTCKBGBZNN-KRWDZBQOSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001506648867 1186268248 /nfs/dbraw/zinc/26/82/48/1186268248.db2.gz GTDUUADSYDBZFN-LRDDRELGSA-N 0 3 314.420 3.071 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001506749212 1186287333 /nfs/dbraw/zinc/28/73/33/1186287333.db2.gz YYKGDRXUARSRJG-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001506938352 1186318080 /nfs/dbraw/zinc/31/80/80/1186318080.db2.gz PZFMLIJXMHZFKC-CYBMUJFWSA-N 0 3 319.836 3.409 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3ccccc3cc2F)C1 ZINC001507322296 1186389552 /nfs/dbraw/zinc/38/95/52/1186389552.db2.gz YMQPJUYKHZTAOP-YOEHRIQHSA-N 0 3 324.399 3.195 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cc(C)no2)[C@@H]1C ZINC001507368813 1186404914 /nfs/dbraw/zinc/40/49/14/1186404914.db2.gz NKDMYTQYFBBUCK-HOTGVXAUSA-N 0 3 319.449 3.312 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cc(C)no2)[C@@H]1C ZINC001507368815 1186405835 /nfs/dbraw/zinc/40/58/35/1186405835.db2.gz NKDMYTQYFBBUCK-JKSUJKDBSA-N 0 3 319.449 3.312 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H]1C ZINC001507383385 1186412687 /nfs/dbraw/zinc/41/26/87/1186412687.db2.gz IZQCCECQVZAVET-VXGBXAGGSA-N 0 3 306.372 3.120 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1sc(C)nc1C)C(C)C ZINC001507862853 1186452246 /nfs/dbraw/zinc/45/22/46/1186452246.db2.gz LRXVGNRGVACXGH-UHFFFAOYSA-N 0 3 309.479 3.118 20 30 DGEDHN C=CCCCC(=O)N[C@H](CNCc1ncccc1C)C(C)(C)C ZINC001508004148 1186466190 /nfs/dbraw/zinc/46/61/90/1186466190.db2.gz ROYGGMNIKOWXND-QGZVFWFLSA-N 0 3 317.477 3.367 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001508082364 1186479003 /nfs/dbraw/zinc/47/90/03/1186479003.db2.gz GQAKNWUAVNXWDP-CABCVRRESA-N 0 3 318.486 3.092 20 30 DGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC001514881084 1186734383 /nfs/dbraw/zinc/73/43/83/1186734383.db2.gz AIWQKRWMKHUNAI-CQSZACIVSA-N 0 3 318.804 3.267 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nccn1Cc1ccccc1 ZINC001515824658 1186771454 /nfs/dbraw/zinc/77/14/54/1186771454.db2.gz VBOZMTJTNPKKBI-LTIDMASMSA-N 0 3 305.381 3.154 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC12CCC2)c1nccn1Cc1ccccc1 ZINC001515834227 1186771565 /nfs/dbraw/zinc/77/15/65/1186771565.db2.gz CAQPVQAHINGJFT-HOTGVXAUSA-N 0 3 305.381 3.298 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCc1cccc(F)c1 ZINC001520035650 1186911933 /nfs/dbraw/zinc/91/19/33/1186911933.db2.gz FGVMGIWVOMCZMI-CZUORRHYSA-N 0 3 313.376 3.487 20 30 DGEDHN CC(=O)c1cc(C(=O)C(C#N)c2ncc(Cl)n2C)ccc1C ZINC001520036046 1186912296 /nfs/dbraw/zinc/91/22/96/1186912296.db2.gz IVRATUMOANYFPP-CYBMUJFWSA-N 0 3 315.760 3.075 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCCOCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001526620549 1187379559 /nfs/dbraw/zinc/37/95/59/1187379559.db2.gz MJGHKLHYBFOSRN-GHMZBOCLSA-N 0 3 317.776 3.209 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC001615740757 1193526986 /nfs/dbraw/zinc/52/69/86/1193526986.db2.gz RTXDTABHYPSENP-QGZVFWFLSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001616577183 1193542410 /nfs/dbraw/zinc/54/24/10/1193542410.db2.gz UNIIWNADHSXRLD-AWEZNQCLSA-N 0 3 316.228 3.384 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001542679138 1188302359 /nfs/dbraw/zinc/30/23/59/1188302359.db2.gz QVAHLWAIBSOXJB-FQEVSTJZSA-N 0 3 324.468 3.303 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001544345296 1188389209 /nfs/dbraw/zinc/38/92/09/1188389209.db2.gz WMIUMXLUFCRREH-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001617182240 1193560227 /nfs/dbraw/zinc/56/02/27/1193560227.db2.gz DNESDIKLXHASFX-CYBMUJFWSA-N 0 3 316.228 3.077 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001565831743 1188981395 /nfs/dbraw/zinc/98/13/95/1188981395.db2.gz MTOGOHMIMVGFHQ-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1ccc(OC)cc1 ZINC001556465999 1189002095 /nfs/dbraw/zinc/00/20/95/1189002095.db2.gz GCWKIRSYAOHTCH-NXVVXOECSA-N 0 3 316.445 3.065 20 30 DGEDHN C#CCN(C)CCCNC(=O)CCCCc1ccc(Cl)cc1 ZINC001556828054 1189023330 /nfs/dbraw/zinc/02/33/30/1189023330.db2.gz GOMQKKJSEMQDHK-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C=CC[C@H]1N(Cc2cc(C(=O)OCC)no2)CCCC1(C)C ZINC001559796903 1189242800 /nfs/dbraw/zinc/24/28/00/1189242800.db2.gz ANVSDZRBFAAELV-OAHLLOKOSA-N 0 3 306.406 3.418 20 30 DGEDHN C#CCCCCCCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC001559869475 1189252627 /nfs/dbraw/zinc/25/26/27/1189252627.db2.gz VCWSHAGLSCQHDH-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN C=CCN(CC(=O)N[C@@H](C)Cc1c(F)cccc1F)C(C)(C)C ZINC001560006071 1189269342 /nfs/dbraw/zinc/26/93/42/1189269342.db2.gz SXOJMFOZPBBVKP-ZDUSSCGKSA-N 0 3 324.415 3.299 20 30 DGEDHN C=C(Cl)CN[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001560243477 1189298293 /nfs/dbraw/zinc/29/82/93/1189298293.db2.gz VGAVKBWCFLBNAR-DOMZBBRYSA-N 0 3 300.830 3.261 20 30 DGEDHN C=C1CN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC001563721788 1189529249 /nfs/dbraw/zinc/52/92/49/1189529249.db2.gz VEBBHQUXTGSWFE-SFHVURJKSA-N 0 3 313.445 3.041 20 30 DGEDHN C=C1CN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC001563721787 1189529447 /nfs/dbraw/zinc/52/94/47/1189529447.db2.gz VEBBHQUXTGSWFE-GOSISDBHSA-N 0 3 313.445 3.041 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC001563751545 1189531272 /nfs/dbraw/zinc/53/12/72/1189531272.db2.gz WVQDYBUEJRFTBH-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCCCN(CC)C(=O)NCCN(C)Cc1ccccc1 ZINC001563750983 1189531615 /nfs/dbraw/zinc/53/16/15/1189531615.db2.gz BMWCUJBHYBFMET-UHFFFAOYSA-N 0 3 303.450 3.116 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001565823303 1189677688 /nfs/dbraw/zinc/67/76/88/1189677688.db2.gz VUVOKHJHXHIGPH-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001565829461 1189680125 /nfs/dbraw/zinc/68/01/25/1189680125.db2.gz GWUXIWQYOHRWDL-HUUCEWRRSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)c1ccccc1 ZINC001565833814 1189683566 /nfs/dbraw/zinc/68/35/66/1189683566.db2.gz RFWYBCTXSRRUCN-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC(C)(C)C3CC3)C(C)(C)[C@H]21 ZINC001565994872 1189711217 /nfs/dbraw/zinc/71/12/17/1189711217.db2.gz LKNJNNBLQSGBDV-NJAFHUGGSA-N 0 3 316.489 3.051 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCOC)[C@@H]2CC)CCCCC1 ZINC001566029191 1189719230 /nfs/dbraw/zinc/71/92/30/1189719230.db2.gz UYGJXOHOTQELLX-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001566463876 1189775477 /nfs/dbraw/zinc/77/54/77/1189775477.db2.gz OMBMXRFIRKEMKJ-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@]1(C)C=CCC1 ZINC001566561534 1189800517 /nfs/dbraw/zinc/80/05/17/1189800517.db2.gz HGWBRUNQCIYFBQ-NRFANRHFSA-N 0 3 324.468 3.223 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc([C@H](C)CC)cc1)C1CC1 ZINC001566604111 1189819149 /nfs/dbraw/zinc/81/91/49/1189819149.db2.gz OPOACSYJJDHWRF-MRXNPFEDSA-N 0 3 312.457 3.418 20 30 DGEDHN C=CC1(CC(=O)N(C)C2CCN(CCOC)CC2)CCCCC1 ZINC001566613433 1189823217 /nfs/dbraw/zinc/82/32/17/1189823217.db2.gz VODRZLLVWVOFFA-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001566623737 1189832977 /nfs/dbraw/zinc/83/29/77/1189832977.db2.gz XBHWQBXJGCQAOZ-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2oncc2C)C1 ZINC001566631449 1189838091 /nfs/dbraw/zinc/83/80/91/1189838091.db2.gz VYBPXTCXWCPJHG-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001566696779 1189863539 /nfs/dbraw/zinc/86/35/39/1189863539.db2.gz BIXWYYFGXWXOFH-PIIMJCKOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001566712469 1189870840 /nfs/dbraw/zinc/87/08/40/1189870840.db2.gz KCJWQBQQRJYBBH-QGZVFWFLSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001566752584 1189890600 /nfs/dbraw/zinc/89/06/00/1189890600.db2.gz GQHIUPDZTQSMLY-ZACQAIPSSA-N 0 3 315.461 3.275 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001566755778 1189891653 /nfs/dbraw/zinc/89/16/53/1189891653.db2.gz RIYQCQRAPFFHCM-ZACQAIPSSA-N 0 3 316.445 3.160 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C1CC1)C1CC1 ZINC001566757826 1189893759 /nfs/dbraw/zinc/89/37/59/1189893759.db2.gz QNYMYVPHNUGKJT-JCGIZDLHSA-N 0 3 316.489 3.453 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)C2CCC(CCCC)CC2)C1 ZINC001566777813 1189898904 /nfs/dbraw/zinc/89/89/04/1189898904.db2.gz CAYCODTYPDQCES-ABHNRTSZSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001566819894 1189913208 /nfs/dbraw/zinc/91/32/08/1189913208.db2.gz WFJJUDFXDOEIEW-AYHJJNSGSA-N 0 3 313.445 3.050 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566963511 1189973655 /nfs/dbraw/zinc/97/36/55/1189973655.db2.gz VLRFGNUNZGMGMJ-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001567190464 1190059795 /nfs/dbraw/zinc/05/97/95/1190059795.db2.gz ZVXGDSNFTQWABO-KRWDZBQOSA-N 0 3 318.486 3.365 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001567201574 1190066583 /nfs/dbraw/zinc/06/65/83/1190066583.db2.gz CSYPKUSTEICWKA-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN CC[C@H](C)CC(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001567214584 1190075290 /nfs/dbraw/zinc/07/52/90/1190075290.db2.gz WNMSYJPHBGAALZ-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)Cc1ccc(Cl)cc1C ZINC001567277989 1190108484 /nfs/dbraw/zinc/10/84/84/1190108484.db2.gz VYRKZXSVURPTML-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001567306016 1190122141 /nfs/dbraw/zinc/12/21/41/1190122141.db2.gz VXUZJXWFTYEQPX-UHFFFAOYSA-N 0 3 302.462 3.151 20 30 DGEDHN C=CCN(CC)CCNC(=O)CC1CC(c2ccccc2)C1 ZINC001567337575 1190138145 /nfs/dbraw/zinc/13/81/45/1190138145.db2.gz OOJCYKGPKIANIO-UHFFFAOYSA-N 0 3 300.446 3.194 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001567371486 1190157533 /nfs/dbraw/zinc/15/75/33/1190157533.db2.gz JYOJXRQFCGJHRB-KBPBESRZSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCCC1 ZINC001567392195 1190168257 /nfs/dbraw/zinc/16/82/57/1190168257.db2.gz YMTFPZJUTRRQAG-IBGZPJMESA-N 0 3 324.468 3.102 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001567403007 1190173115 /nfs/dbraw/zinc/17/31/15/1190173115.db2.gz LPGMUQWFOPYISB-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001567415566 1190178274 /nfs/dbraw/zinc/17/82/74/1190178274.db2.gz OIUXUDQJKPIHOY-RTBURBONSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001567415826 1190178479 /nfs/dbraw/zinc/17/84/79/1190178479.db2.gz ORVGYVIXGYEINT-MRXNPFEDSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC001567665849 1190243424 /nfs/dbraw/zinc/24/34/24/1190243424.db2.gz MRMIPOWVNNIHAF-HXUWFJFHSA-N 0 3 320.436 3.422 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC/C=C\CC)cc1 ZINC001567674268 1190245000 /nfs/dbraw/zinc/24/50/00/1190245000.db2.gz XCABMCMXGPEJHR-GGJLBNBESA-N 0 3 322.452 3.313 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C2=CCCCCC2)C1 ZINC001567681279 1190248907 /nfs/dbraw/zinc/24/89/07/1190248907.db2.gz DLSZSUQYIJAMBN-SFHVURJKSA-N 0 3 302.462 3.213 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CN(C)Cc2cncs2)CC1 ZINC001567746307 1190284394 /nfs/dbraw/zinc/28/43/94/1190284394.db2.gz BYAJTBPEEGWHQB-UHFFFAOYSA-N 0 3 321.490 3.170 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2CC)C1 ZINC001567761666 1190290845 /nfs/dbraw/zinc/29/08/45/1190290845.db2.gz ICKSBPDCRSJAPL-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001567850524 1190321930 /nfs/dbraw/zinc/32/19/30/1190321930.db2.gz LHMPQHDFDCKHOH-COXVUDFISA-N 0 3 302.393 3.079 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001567856833 1190323125 /nfs/dbraw/zinc/32/31/25/1190323125.db2.gz HMSGLQDSPLCRRS-ROUUACIJSA-N 0 3 304.478 3.476 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(c2ccccc2)CC1 ZINC001567857073 1190323723 /nfs/dbraw/zinc/32/37/23/1190323723.db2.gz QKFPYVPQIWBKFT-OALUTQOASA-N 0 3 324.468 3.360 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)CCC1 ZINC001567862566 1190325178 /nfs/dbraw/zinc/32/51/78/1190325178.db2.gz LNUKHJLBOKYWFP-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2occc2Cl)C1 ZINC001567878319 1190330763 /nfs/dbraw/zinc/33/07/63/1190330763.db2.gz XRIFBTFJMDSMMK-ZDUSSCGKSA-N 0 3 310.825 3.484 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001567911048 1190346894 /nfs/dbraw/zinc/34/68/94/1190346894.db2.gz JYJIIWSNBMTDRF-KRWDZBQOSA-N 0 3 300.446 3.322 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2(c3ccccc3)CC2)C1 ZINC001567914735 1190348406 /nfs/dbraw/zinc/34/84/06/1190348406.db2.gz GKLAUJCQMHMJIB-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC2(c3ccccc3)CC2)C1 ZINC001567938848 1190364899 /nfs/dbraw/zinc/36/48/99/1190364899.db2.gz LJHNBITWBKMNCF-IBGZPJMESA-N 0 3 324.468 3.054 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccc(CC)cc2)C1 ZINC001567945128 1190369494 /nfs/dbraw/zinc/36/94/94/1190369494.db2.gz INHNTBCFZUNFMX-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C/C=C(\C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1Cl ZINC001567954896 1190373928 /nfs/dbraw/zinc/37/39/28/1190373928.db2.gz JKPBIUAMXRWUKR-LDJMWSSVSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001567961262 1190377963 /nfs/dbraw/zinc/37/79/63/1190377963.db2.gz FLXKQDBGGRXALQ-MRXNPFEDSA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)C)NCC#Cc1ccc(Cl)cc1 ZINC001567986053 1190387800 /nfs/dbraw/zinc/38/78/00/1190387800.db2.gz WYDFEVBIEKTQMR-INIZCTEOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2[nH]c(C)cc2C)CCCC1 ZINC001568002097 1190393871 /nfs/dbraw/zinc/39/38/71/1190393871.db2.gz KAYMAYYITWOXFA-UHFFFAOYSA-N 0 3 309.841 3.016 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccc(F)cc2)CCCC1 ZINC001568009993 1190396517 /nfs/dbraw/zinc/39/65/17/1190396517.db2.gz LPBNUTCBSTTZJV-UHFFFAOYSA-N 0 3 324.827 3.139 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)c2ccccc2)cc1 ZINC001568122052 1190427824 /nfs/dbraw/zinc/42/78/24/1190427824.db2.gz YNXSYQODMSKLPT-KRWDZBQOSA-N 0 3 320.436 3.219 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccsc2C)CCCC1 ZINC001568234732 1190457541 /nfs/dbraw/zinc/45/75/41/1190457541.db2.gz BHCIRJNKYKUSMZ-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCC23CC3)CCCC1 ZINC001568237603 1190458723 /nfs/dbraw/zinc/45/87/23/1190458723.db2.gz DTQYJUPVPZEPHO-AWEZNQCLSA-N 0 3 310.869 3.338 20 30 DGEDHN C/C=C(/C)C(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001568265119 1190467362 /nfs/dbraw/zinc/46/73/62/1190467362.db2.gz SUFRNKDJDWSGAI-AGKVCYSUSA-N 0 3 318.848 3.094 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1[nH]c(C)cc1C ZINC001568386443 1190508493 /nfs/dbraw/zinc/50/84/93/1190508493.db2.gz BEZBENVKKTUYPE-HNNXBMFYSA-N 0 3 323.868 3.358 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](NCc1ccccc1Cl)C(C)C ZINC001568448498 1190525652 /nfs/dbraw/zinc/52/56/52/1190525652.db2.gz GMEVQECTLMVBHH-QGZVFWFLSA-N 0 3 320.864 3.230 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1ccc(C)cc1)C(C)C ZINC001568456237 1190527550 /nfs/dbraw/zinc/52/75/50/1190527550.db2.gz LEYYYKDXKPYCGD-QGZVFWFLSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1ccncc1Cl)C(C)C ZINC001568459634 1190528324 /nfs/dbraw/zinc/52/83/24/1190528324.db2.gz TZSDLDMHAJLZFY-OAHLLOKOSA-N 0 3 323.868 3.178 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001568459377 1190528416 /nfs/dbraw/zinc/52/84/16/1190528416.db2.gz OQTVGBXURAQICI-ITICKHJUSA-N 0 3 324.468 3.291 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001568475692 1190535589 /nfs/dbraw/zinc/53/55/89/1190535589.db2.gz CUGVNZVTHNZLAS-HNNXBMFYSA-N 0 3 304.434 3.113 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2nccc(C)c2c1 ZINC001568483800 1190539973 /nfs/dbraw/zinc/53/99/73/1190539973.db2.gz BKKPXIKTOVNUOK-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN(C)[C@H](C)c2ccccc2)cc1 ZINC001568491128 1190543139 /nfs/dbraw/zinc/54/31/39/1190543139.db2.gz CMPZNGNYLBULAZ-QGZVFWFLSA-N 0 3 320.436 3.433 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1 ZINC001568712526 1190581340 /nfs/dbraw/zinc/58/13/40/1190581340.db2.gz YVGFQVCBIGWGHL-DZGCQCFKSA-N 0 3 308.853 3.102 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1cc2cccc(C)c2s1 ZINC001568874760 1190595942 /nfs/dbraw/zinc/59/59/42/1190595942.db2.gz CNTSVXXKMVJVLK-WAYWQWQTSA-N 0 3 312.438 3.109 20 30 DGEDHN CCC[C@](C)(CC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001569027781 1190609902 /nfs/dbraw/zinc/60/99/02/1190609902.db2.gz UPYAGEHHHMMVHY-DYVFJYSZSA-N 0 3 321.490 3.430 20 30 DGEDHN CC(C)CCCCC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001569025466 1190609999 /nfs/dbraw/zinc/60/99/99/1190609999.db2.gz XLIMJIRFXDGEBG-GOSISDBHSA-N 0 3 314.473 3.349 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001569086535 1190619265 /nfs/dbraw/zinc/61/92/65/1190619265.db2.gz UZBHFZCHGBRMSD-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1cc(C)sc1C ZINC001569111950 1190626866 /nfs/dbraw/zinc/62/68/66/1190626866.db2.gz DAMARAKRSCSZJY-CQSZACIVSA-N 0 3 320.502 3.495 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1cc(C)sc1C ZINC001569111949 1190626902 /nfs/dbraw/zinc/62/69/02/1190626902.db2.gz DAMARAKRSCSZJY-AWEZNQCLSA-N 0 3 320.502 3.495 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001569131539 1190634268 /nfs/dbraw/zinc/63/42/68/1190634268.db2.gz RZIMLGSWRNGLIK-OAHLLOKOSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001569134032 1190635635 /nfs/dbraw/zinc/63/56/35/1190635635.db2.gz YMCVOVAONIDFGA-AWEZNQCLSA-N 0 3 306.425 3.305 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc2ccsc2c1 ZINC001569229143 1190655084 /nfs/dbraw/zinc/65/50/84/1190655084.db2.gz NLXGSRYNKOHOEO-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1CCC1CCCCCC1 ZINC001569355880 1190675025 /nfs/dbraw/zinc/67/50/25/1190675025.db2.gz OJNJKWMCFJTRAA-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001569381627 1190687004 /nfs/dbraw/zinc/68/70/04/1190687004.db2.gz UVRYVEAQRMGNAY-CHWSQXEVSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001569385005 1190687710 /nfs/dbraw/zinc/68/77/10/1190687710.db2.gz XMVBXDXYFNMWIW-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1sc(C)cc1C ZINC001569384855 1190687813 /nfs/dbraw/zinc/68/78/13/1190687813.db2.gz UKIQQEVUHXXOFJ-OAHLLOKOSA-N 0 3 306.475 3.064 20 30 DGEDHN CC[C@@H](NC1(CNC(=O)C#CC(C)C)CC1)c1ccc(F)cc1 ZINC001569398705 1190691259 /nfs/dbraw/zinc/69/12/59/1190691259.db2.gz MWWKPPCPTWMRDE-QGZVFWFLSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001569412539 1190693552 /nfs/dbraw/zinc/69/35/52/1190693552.db2.gz LDLNDCCWILWWPK-ZDUSSCGKSA-N 0 3 304.409 3.337 20 30 DGEDHN C=C[C@H](CC(=O)NCC1(NC/C=C/Cl)CC1)c1ccccc1 ZINC001569431624 1190697284 /nfs/dbraw/zinc/69/72/84/1190697284.db2.gz XFQGRARINLEFGP-KDHUCADRSA-N 0 3 318.848 3.337 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCCCC)C1 ZINC001569438006 1190698605 /nfs/dbraw/zinc/69/86/05/1190698605.db2.gz HJTNJWUZDQHUFS-MSOLQXFVSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001569437488 1190698692 /nfs/dbraw/zinc/69/86/92/1190698692.db2.gz VJXRMWRWPBHDJW-MOPGFXCFSA-N 0 3 316.489 3.459 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCN(C/C=C\Cl)C1CCCCCC1 ZINC001569448439 1190700260 /nfs/dbraw/zinc/70/02/60/1190700260.db2.gz SVNSPVGRQIAEMY-PIZKADEWSA-N 0 3 311.857 3.040 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001569481539 1190706286 /nfs/dbraw/zinc/70/62/86/1190706286.db2.gz XZRGDTWLURNICS-HXUWFJFHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001569553289 1190715870 /nfs/dbraw/zinc/71/58/70/1190715870.db2.gz QHCWQIZBYGXELK-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCNC[C@H](NC(=O)CCC=C)c1ccc2ccccc2c1 ZINC001569597407 1190720805 /nfs/dbraw/zinc/72/08/05/1190720805.db2.gz CWKGLADXJVZDNT-IBGZPJMESA-N 0 3 306.409 3.186 20 30 DGEDHN CC[C@@H](F)CNC[C@H](NC(=O)C#CC(C)(C)C)C1CCCC1 ZINC001569603843 1190722051 /nfs/dbraw/zinc/72/20/51/1190722051.db2.gz GOVYGQBWIRVXFL-CVEARBPZSA-N 0 3 310.457 3.049 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001569643438 1190731605 /nfs/dbraw/zinc/73/16/05/1190731605.db2.gz YYYYHXCIBWTCFH-SFHVURJKSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(OCC)c2)C1 ZINC001569722438 1190749477 /nfs/dbraw/zinc/74/94/77/1190749477.db2.gz KCPHOHGWSMDRIK-IBGZPJMESA-N 0 3 316.445 3.103 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001569722310 1190749627 /nfs/dbraw/zinc/74/96/27/1190749627.db2.gz JFWPEIDWKPWQJN-MJGOQNOKSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001569725993 1190750352 /nfs/dbraw/zinc/75/03/52/1190750352.db2.gz LDPFCTTVIKEKEL-AKSNENBUSA-N 0 3 304.478 3.217 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001569725994 1190750361 /nfs/dbraw/zinc/75/03/61/1190750361.db2.gz LDPFCTTVIKEKEL-BXNZUYAZSA-N 0 3 304.478 3.217 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001569725531 1190750454 /nfs/dbraw/zinc/75/04/54/1190750454.db2.gz AIHABKRZJGRIRH-OAQYLSRUSA-N 0 3 324.468 3.031 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1CC ZINC001569801758 1190756133 /nfs/dbraw/zinc/75/61/33/1190756133.db2.gz HTBVSEBNOVASJT-ZWKOTPCHSA-N 0 3 312.457 3.372 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC001569875556 1190768343 /nfs/dbraw/zinc/76/83/43/1190768343.db2.gz ICBJZQILPVQUMN-CALCHBBNSA-N 0 3 316.420 3.072 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001569974201 1190778122 /nfs/dbraw/zinc/77/81/22/1190778122.db2.gz MXNJCTPCKMZUON-CQSZACIVSA-N 0 3 310.825 3.091 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001570007930 1190781044 /nfs/dbraw/zinc/78/10/44/1190781044.db2.gz ALSCPCVOUAAIKC-VNQPRFMTSA-N 0 3 310.869 3.003 20 30 DGEDHN C#CCNC1(CNC(=O)C2CCC(CCCC)CC2)CCC1 ZINC001570125487 1190801358 /nfs/dbraw/zinc/80/13/58/1190801358.db2.gz ZVAZYZPOGBDZME-UHFFFAOYSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3cc(C)ccc3o2)CCC1 ZINC001570127675 1190801940 /nfs/dbraw/zinc/80/19/40/1190801940.db2.gz PLKZMBMTNRXEPC-UHFFFAOYSA-N 0 3 310.397 3.007 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001570269052 1190833763 /nfs/dbraw/zinc/83/37/63/1190833763.db2.gz NCVHCOOUFDTQDB-LJQANCHMSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)C(C)(C)C1 ZINC001570400208 1190853547 /nfs/dbraw/zinc/85/35/47/1190853547.db2.gz TURDKFXVUGFOPS-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)C1CCC1 ZINC001570477012 1190866427 /nfs/dbraw/zinc/86/64/27/1190866427.db2.gz NTGAKKFWPBAEOU-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CC)OC1CCCCC1 ZINC001570530101 1190876421 /nfs/dbraw/zinc/87/64/21/1190876421.db2.gz DKASNNYXJWUGDR-AEFFLSMTSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001570545133 1190884311 /nfs/dbraw/zinc/88/43/11/1190884311.db2.gz MEEQIXCULZRRPF-DOTOQJQBSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(c2cccc(C)c2)CC1 ZINC001570549369 1190886597 /nfs/dbraw/zinc/88/65/97/1190886597.db2.gz XFSRUBCGLOARDZ-GOSISDBHSA-N 0 3 312.457 3.135 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570591550 1190895429 /nfs/dbraw/zinc/89/54/29/1190895429.db2.gz ZUBGPZNQKZLFBX-VXGBXAGGSA-N 0 3 307.463 3.039 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001570699635 1190921847 /nfs/dbraw/zinc/92/18/47/1190921847.db2.gz CIRYKQBHMSEFCI-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001570711987 1190925721 /nfs/dbraw/zinc/92/57/21/1190925721.db2.gz BBMQWUWEBSLCLO-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccccc1N(C)C ZINC001570714156 1190926789 /nfs/dbraw/zinc/92/67/89/1190926789.db2.gz IVXOJRHIUHDUBS-MRXNPFEDSA-N 0 3 317.477 3.045 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001570720407 1190929922 /nfs/dbraw/zinc/92/99/22/1190929922.db2.gz REDKOLNUKDZESY-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)C/C=C\c1ccccc1 ZINC001570727962 1190931817 /nfs/dbraw/zinc/93/18/17/1190931817.db2.gz GTRJULLBRRESCM-DDKJEQMHSA-N 0 3 300.446 3.349 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@@H](NCc1cc(C)on1)C(C)C ZINC001570777784 1190948320 /nfs/dbraw/zinc/94/83/20/1190948320.db2.gz VUTUZQVGMOHMMK-MRXNPFEDSA-N 0 3 321.465 3.158 20 30 DGEDHN CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)C(C)C ZINC001570807483 1190952764 /nfs/dbraw/zinc/95/27/64/1190952764.db2.gz MNLNCTFRBBFRNU-CYBMUJFWSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC001570832576 1190962092 /nfs/dbraw/zinc/96/20/92/1190962092.db2.gz LGZOSFWEJMWZRN-HNNXBMFYSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001570843915 1190964270 /nfs/dbraw/zinc/96/42/70/1190964270.db2.gz SBOXXZRADCKFFS-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001570863496 1190968129 /nfs/dbraw/zinc/96/81/29/1190968129.db2.gz GKZFQDVFHXNHBS-KSSFIOAISA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001570909140 1190974840 /nfs/dbraw/zinc/97/48/40/1190974840.db2.gz DDJPMBJNBLLTCN-WMZOPIPTSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001570909139 1190975175 /nfs/dbraw/zinc/97/51/75/1190975175.db2.gz DDJPMBJNBLLTCN-SJLPKXTDSA-N 0 3 312.457 3.359 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001571177727 1190985060 /nfs/dbraw/zinc/98/50/60/1190985060.db2.gz SQZTUSYLIBTQHV-HDJSIYSDSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1nccc2occc21 ZINC001571287303 1190989904 /nfs/dbraw/zinc/98/99/04/1190989904.db2.gz CHTGLIVDINNTBI-GFCCVEGCSA-N 0 3 321.808 3.068 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001571357986 1191001589 /nfs/dbraw/zinc/00/15/89/1191001589.db2.gz WHROGOYLPWLQHZ-QGZVFWFLSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001571400305 1191014521 /nfs/dbraw/zinc/01/45/21/1191014521.db2.gz IQAXBZVPZALUJU-XMRSSTEGSA-N 0 3 317.458 3.079 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001571401720 1191015017 /nfs/dbraw/zinc/01/50/17/1191015017.db2.gz JGVYBFYPINRZBZ-GJZGRUSLSA-N 0 3 306.425 3.365 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1oc2c(cccc2C)c1C ZINC001571419423 1191020686 /nfs/dbraw/zinc/02/06/86/1191020686.db2.gz QOMQURWSIUKSAP-AWEZNQCLSA-N 0 3 312.413 3.123 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@H]1C ZINC001571455214 1191023202 /nfs/dbraw/zinc/02/32/02/1191023202.db2.gz JKAHEZSNWDWWEQ-QAPCUYQASA-N 0 3 324.424 3.171 20 30 DGEDHN CC#CCCCC(=O)N[C@]12CCC[C@H]1N(C[C@@H](F)CC)CC2 ZINC001571503429 1191034409 /nfs/dbraw/zinc/03/44/09/1191034409.db2.gz RCLJORBUDOWULG-JZXOWHBKSA-N 0 3 308.441 3.041 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)/C(C)=C\C)Cc1ccccc1 ZINC001571526361 1191043800 /nfs/dbraw/zinc/04/38/00/1191043800.db2.gz FTPWEVFBPLNZGK-ZGKREOHOSA-N 0 3 320.864 3.412 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)C(C)(C)C)Cc1ccccc1 ZINC001571528928 1191044418 /nfs/dbraw/zinc/04/44/18/1191044418.db2.gz VCMVZKUYEPSMGW-INIZCTEOSA-N 0 3 322.880 3.492 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CCC[C@H](OC)C1)C(C)C ZINC001571612346 1191058169 /nfs/dbraw/zinc/05/81/69/1191058169.db2.gz HLEPPNQGVIMQPV-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(Cl)ccc1F)C(C)C ZINC001571613324 1191058390 /nfs/dbraw/zinc/05/83/90/1191058390.db2.gz RACHYKWJKVUXIY-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCC(F)(F)C1)C(C)C ZINC001571612377 1191059221 /nfs/dbraw/zinc/05/92/21/1191059221.db2.gz IRZIWZZSCKSNLP-CQSZACIVSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(Cl)cn1)C(C)C ZINC001571616145 1191063008 /nfs/dbraw/zinc/06/30/08/1191063008.db2.gz SFJHDIQPAIYCKU-UHFFFAOYSA-N 0 3 309.841 3.094 20 30 DGEDHN CC(C)(C)[C@H](CNCc1ccc(C#N)s1)NC(=O)CC1CC1 ZINC001571616415 1191063676 /nfs/dbraw/zinc/06/36/76/1191063676.db2.gz CMASDWAFXCJIHE-HNNXBMFYSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Br)CNC[C@H](NC(=O)CC(C)C)C(C)(C)C ZINC001571618378 1191064636 /nfs/dbraw/zinc/06/46/36/1191064636.db2.gz WDBNOXPOCSEMEF-LBPRGKRZSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C1CCN(Cc2cccnc2)CC1 ZINC001571644042 1191072802 /nfs/dbraw/zinc/07/28/02/1191072802.db2.gz ACRICUXXBIRYOW-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(CCCC)CC2)CC1 ZINC001571645447 1191073403 /nfs/dbraw/zinc/07/34/03/1191073403.db2.gz GNIYEOIHWNWBRD-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CCN(C[C@H](F)CC)CC2)C1 ZINC001571645845 1191073536 /nfs/dbraw/zinc/07/35/36/1191073536.db2.gz WBZOYYASARNRPG-GDBMZVCRSA-N 0 3 310.457 3.308 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001571650296 1191075027 /nfs/dbraw/zinc/07/50/27/1191075027.db2.gz MLIUEESRASHXAR-SCWSEQNSSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC001574851945 1191454020 /nfs/dbraw/zinc/45/40/20/1191454020.db2.gz MHQVXZDTYPCOCX-KBPBESRZSA-N 0 3 320.820 3.019 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC001574857374 1191455132 /nfs/dbraw/zinc/45/51/32/1191455132.db2.gz RCIZWXDQTWTJRH-HNNXBMFYSA-N 0 3 317.776 3.282 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC001574903496 1191457889 /nfs/dbraw/zinc/45/78/89/1191457889.db2.gz SHQYOIAFZBIOLH-NJAFHUGGSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001574903481 1191458150 /nfs/dbraw/zinc/45/81/50/1191458150.db2.gz RXJDIKZRQHXPAC-DLBZAZTESA-N 0 3 313.445 3.349 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)C1CCCCCC1 ZINC001574947443 1191459868 /nfs/dbraw/zinc/45/98/68/1191459868.db2.gz HVKNNSPMJYCURW-GOSISDBHSA-N 0 3 316.445 3.165 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC001576302510 1191557287 /nfs/dbraw/zinc/55/72/87/1191557287.db2.gz ULOIUEWJJPDKHT-KUHUBIRLSA-N 0 3 319.408 3.312 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CSc1ccc(C)cc1 ZINC001618808213 1193752694 /nfs/dbraw/zinc/75/26/94/1193752694.db2.gz YNOFGHFCXKDUQN-UHFFFAOYSA-N 0 3 306.475 3.053 20 30 DGEDHN C=C(CC)CN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001620561440 1193778781 /nfs/dbraw/zinc/77/87/81/1193778781.db2.gz WPTUGJUJKZWASV-GASCZTMLSA-N 0 3 310.235 3.355 20 30 DGEDHN C=CC[C@H]1N(Cc2cc3c(cn2)OCCO3)CCCC1(C)C ZINC001621291058 1193827462 /nfs/dbraw/zinc/82/74/62/1193827462.db2.gz JVNYHYMLRPVTEF-QGZVFWFLSA-N 0 3 302.418 3.420 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC001622536343 1193904264 /nfs/dbraw/zinc/90/42/64/1193904264.db2.gz LVNLYVPHLLCWRE-UZLBHIALSA-N 0 3 318.420 3.061 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC001629543549 1194240794 /nfs/dbraw/zinc/24/07/94/1194240794.db2.gz AMKWHYRWWLVSCD-INIZCTEOSA-N 0 3 323.440 3.155 20 30 DGEDHN C#Cc1cccc(N(C)C(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC001632693090 1194402792 /nfs/dbraw/zinc/40/27/92/1194402792.db2.gz SQTNTMGDKMONDS-LJQANCHMSA-N 0 3 310.441 3.428 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CSCc1cccc(C)c1 ZINC001634637310 1194506287 /nfs/dbraw/zinc/50/62/87/1194506287.db2.gz ZDVDEIFZKZTQIG-UHFFFAOYSA-N 0 3 320.502 3.195 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001634640462 1194506192 /nfs/dbraw/zinc/50/61/92/1194506192.db2.gz DHMFQRSXUKGAMA-INIZCTEOSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(F)(F)c1ccccc1C ZINC001634640655 1194506664 /nfs/dbraw/zinc/50/66/64/1194506664.db2.gz JVTVLQYVHCGIEG-UHFFFAOYSA-N 0 3 310.388 3.053 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1cccc(C)c1C ZINC001635753167 1194569350 /nfs/dbraw/zinc/56/93/50/1194569350.db2.gz KDKNJKNFUMZUJQ-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=CCC1(NC(=O)NC[C@H]2CCN2C(C)(C)C)CCCCC1 ZINC001636878136 1194638379 /nfs/dbraw/zinc/63/83/79/1194638379.db2.gz JHWDOVAUQBPWAP-OAHLLOKOSA-N 0 3 307.482 3.437 20 30 DGEDHN Cc1ccc(C#N)cc1C(=O)Nc1ccc(CN(C)C)cc1F ZINC001637937745 1194694573 /nfs/dbraw/zinc/69/45/73/1194694573.db2.gz LEQBYWJUKRVVOI-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001638400494 1194716331 /nfs/dbraw/zinc/71/63/31/1194716331.db2.gz UCJFMHQCMPYSKF-AEFFLSMTSA-N 0 3 300.446 3.368 20 30 DGEDHN N#CC1(C[C@H](O)CN[C@H](c2ccc(F)cc2F)C2CC2)CCC1 ZINC001642433748 1194910383 /nfs/dbraw/zinc/91/03/83/1194910383.db2.gz HZOJTYZVYQKREZ-YOEHRIQHSA-N 0 3 320.383 3.450 20 30 DGEDHN C[C@@H]1CCC[C@H](CCN2CCN(c3cnccc3C#N)CC2)C1 ZINC001643257396 1195009242 /nfs/dbraw/zinc/00/92/42/1195009242.db2.gz KZNLVFDTARUAQZ-IAGOWNOFSA-N 0 3 312.461 3.292 20 30 DGEDHN Cc1ccc(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1C#N ZINC001643325453 1195015512 /nfs/dbraw/zinc/01/55/12/1195015512.db2.gz KUDLRSMNEZRDNW-LJQANCHMSA-N 0 3 314.429 3.420 20 30 DGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cc2cnccc2o1 ZINC001644275400 1195094860 /nfs/dbraw/zinc/09/48/60/1195094860.db2.gz POACKFDFUWUJFB-ZDUSSCGKSA-N 0 3 307.353 3.429 20 30 DGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CC3CCC2CC3)c1 ZINC001644357413 1195102555 /nfs/dbraw/zinc/10/25/55/1195102555.db2.gz VVDJJSJGMAAGHZ-ABHNRTSZSA-N 0 3 310.441 3.365 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)C1 ZINC001644469622 1195110576 /nfs/dbraw/zinc/11/05/76/1195110576.db2.gz FLDOWLZLMJZZHA-HOTGVXAUSA-N 0 3 316.420 3.080 20 30 DGEDHN CCC#C[C@H](C)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC001644550529 1195116353 /nfs/dbraw/zinc/11/63/53/1195116353.db2.gz UINCEWYFWKTUNG-LPHOPBHVSA-N 0 3 304.478 3.291 20 30 DGEDHN Cc1cccc([C@H]2CCCN2C[C@H](O)c2cccc(C#N)c2)n1 ZINC001644778450 1195133387 /nfs/dbraw/zinc/13/33/87/1195133387.db2.gz BSWRIJXIPLTSRG-MOPGFXCFSA-N 0 3 307.397 3.132 20 30 DGEDHN C#Cc1ccc(NC(=O)CCNC2(c3ccc(F)cc3)CC2)cc1 ZINC001644866998 1195139948 /nfs/dbraw/zinc/13/99/48/1195139948.db2.gz HWSVGINCJIQWEK-UHFFFAOYSA-N 0 3 322.383 3.415 20 30 DGEDHN Cc1nsc(N2CCN(C[C@H]3CCCC[C@H]3C)CC2)c1C#N ZINC001645950797 1195208847 /nfs/dbraw/zinc/20/88/47/1195208847.db2.gz SOTITVSDLCCLBK-UKRRQHHQSA-N 0 3 318.490 3.272 20 30 DGEDHN C/C=C\C[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001647921333 1195264487 /nfs/dbraw/zinc/26/44/87/1195264487.db2.gz RIZLKLBCJFGNMR-KTFACBHLSA-N 0 3 323.440 3.342 20 30 DGEDHN CN(C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[C@@H]1C#N ZINC001647993411 1195270067 /nfs/dbraw/zinc/27/00/67/1195270067.db2.gz NAQOUGJMCQTPDR-JJXSEGSLSA-N 0 3 321.465 3.304 20 30 DGEDHN C=CCC[C@@H]1CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001648528884 1195307814 /nfs/dbraw/zinc/30/78/14/1195307814.db2.gz TZKLHIJBDAIZKF-OAHLLOKOSA-N 0 3 318.373 3.312 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001649438768 1195338869 /nfs/dbraw/zinc/33/88/69/1195338869.db2.gz LGKJLIMSVLCZTC-IIDMSEBBSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1nc(C)sc1C ZINC001649444519 1195340086 /nfs/dbraw/zinc/34/00/86/1195340086.db2.gz SGRBNCNYIYGAIR-SJKOYZFVSA-N 0 3 323.506 3.347 20 30 DGEDHN C#CCOc1ccccc1CNC[C@]1(C)COc2ccccc2O1 ZINC001651369288 1195451406 /nfs/dbraw/zinc/45/14/06/1195451406.db2.gz MPICUJPCSMLGLO-HXUWFJFHSA-N 0 3 323.392 3.018 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC001651520863 1195475400 /nfs/dbraw/zinc/47/54/00/1195475400.db2.gz UAFYTNMEQWCJDI-UHFFFAOYSA-N 0 3 322.364 3.225 20 30 DGEDHN Cc1cc(C#N)cc(N2CCN[C@H](c3ccc(Cl)cc3)C2)n1 ZINC001651532209 1195476502 /nfs/dbraw/zinc/47/65/02/1195476502.db2.gz BNQMBZVGXXRTFT-INIZCTEOSA-N 0 3 312.804 3.066 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](Nc3nc(C)ccc3C#N)C2)cc1 ZINC001652150722 1195553998 /nfs/dbraw/zinc/55/39/98/1195553998.db2.gz FCHGOUXSOSBSDS-GOSISDBHSA-N 0 3 306.413 3.257 20 30 DGEDHN C=CC[C@@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001652426473 1195595781 /nfs/dbraw/zinc/59/57/81/1195595781.db2.gz HBMPOMNPUAHUBA-OAHLLOKOSA-N 0 3 306.413 3.193 20 30 DGEDHN C[C@@H](CCc1cncc2ccccc21)NCC1(C#N)CCOCC1 ZINC001653237713 1195701807 /nfs/dbraw/zinc/70/18/07/1195701807.db2.gz DKPYZBMHZPFHOE-INIZCTEOSA-N 0 3 323.440 3.466 20 30 DGEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1C(=O)OC(C)(C)C ZINC001654847181 1195846360 /nfs/dbraw/zinc/84/63/60/1195846360.db2.gz DVEITTXIEZCXJH-WMLDXEAASA-N 0 3 314.429 3.358 20 30 DGEDHN C#C[C@@H]1CCCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC001655035264 1195867453 /nfs/dbraw/zinc/86/74/53/1195867453.db2.gz UNCXHVPUXYDFMX-OAHLLOKOSA-N 0 3 315.804 3.420 20 30 DGEDHN CCC[C@](C)(NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC001655861767 1195970377 /nfs/dbraw/zinc/97/03/77/1195970377.db2.gz UYJBUMLDEREZIT-LPHOPBHVSA-N 0 3 315.461 3.300 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccc(C)cc1C ZINC001656080924 1195995681 /nfs/dbraw/zinc/99/56/81/1195995681.db2.gz QHNJUJDOBVDIFI-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001656109764 1196005512 /nfs/dbraw/zinc/00/55/12/1196005512.db2.gz RAVGNDVZSORKKE-DLBZAZTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001656288667 1196026831 /nfs/dbraw/zinc/02/68/31/1196026831.db2.gz QZYFRYLUNRMVDZ-DZGCQCFKSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001656333739 1196030467 /nfs/dbraw/zinc/03/04/67/1196030467.db2.gz DLSMTSNZBCPSNG-DZGCQCFKSA-N 0 3 312.885 3.440 20 30 DGEDHN CC(C)C#CC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C\Cl)CC2 ZINC001656394003 1196035432 /nfs/dbraw/zinc/03/54/32/1196035432.db2.gz PFGKTOXKKPAEDK-SGNXQUTQSA-N 0 3 322.880 3.101 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@H]1C)CCN(C/C=C/Cl)CC2 ZINC001656393620 1196035564 /nfs/dbraw/zinc/03/55/64/1196035564.db2.gz JMSXFOQNVABOFD-FUVBFXSKSA-N 0 3 310.869 3.408 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccsc2)[C@H]1CC ZINC001656716975 1196065078 /nfs/dbraw/zinc/06/50/78/1196065078.db2.gz OSULOBZLOVCTDM-JKSUJKDBSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001656881999 1196078754 /nfs/dbraw/zinc/07/87/54/1196078754.db2.gz XOBMDGKUSVAUCV-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001657095574 1196104244 /nfs/dbraw/zinc/10/42/44/1196104244.db2.gz DPRKQTIPEUIBLJ-WGPYJDKQSA-N 0 3 324.896 3.395 20 30 DGEDHN CC[C@@H](F)CN1CC[C@@H](NC(=O)C#CC(C)C)CC(C)(C)C1 ZINC001657095569 1196104385 /nfs/dbraw/zinc/10/43/85/1196104385.db2.gz DNXLYFXVIUMIEB-HZPDHXFCSA-N 0 3 310.457 3.001 20 30 DGEDHN C=CC[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccncc1 ZINC001657237380 1196121603 /nfs/dbraw/zinc/12/16/03/1196121603.db2.gz RCUGTCOZEPQKCI-KRWDZBQOSA-N 0 3 323.375 3.208 20 30 DGEDHN C=CCSCCNCc1cc(OC)ccc1OC(F)F ZINC001657762835 1196176074 /nfs/dbraw/zinc/17/60/74/1196176074.db2.gz LRNWKNAUKBJAMW-UHFFFAOYSA-N 0 3 303.374 3.305 20 30 DGEDHN CCc1ccc([C@@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC001657992939 1196199742 /nfs/dbraw/zinc/19/97/42/1196199742.db2.gz CTAQEPBYIYYZBE-VCBZYWHSSA-N 0 3 315.461 3.343 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](C4CCC4)C3)C2=O)cc1 ZINC001659493856 1196388832 /nfs/dbraw/zinc/38/88/32/1196388832.db2.gz BKBVFBOEFFPPRC-MJGOQNOKSA-N 0 3 323.440 3.176 20 30 DGEDHN C#C[C@H](N[C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@H]12)c1ccc(Cl)cc1 ZINC001659929617 1196429194 /nfs/dbraw/zinc/42/91/94/1196429194.db2.gz MGMSERBHBAOZJW-QMPXSYISSA-N 0 3 317.816 3.192 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC2(C#N)CCOCC2)C12CCC2 ZINC001660206108 1196457301 /nfs/dbraw/zinc/45/73/01/1196457301.db2.gz PIYPDANUIIUKIE-HUUCEWRRSA-N 0 3 306.450 3.023 20 30 DGEDHN C#CCC1(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCC1 ZINC001660283578 1196466596 /nfs/dbraw/zinc/46/65/96/1196466596.db2.gz GDNIPNXFGPVVGF-OAHLLOKOSA-N 0 3 320.795 3.120 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1occc1C ZINC001660427106 1196482697 /nfs/dbraw/zinc/48/26/97/1196482697.db2.gz XGUTVXRZFISPEF-ZIAGYGMSSA-N 0 3 310.825 3.313 20 30 DGEDHN Cn1nccc1C[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC001660694056 1196513041 /nfs/dbraw/zinc/51/30/41/1196513041.db2.gz JFUODZDIYRDOPC-SFHVURJKSA-N 0 3 313.832 3.132 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CC1 ZINC001660738894 1196518526 /nfs/dbraw/zinc/51/85/26/1196518526.db2.gz GEENURQLKJSMBV-IYARVYRRSA-N 0 3 318.505 3.443 20 30 DGEDHN CC(C)CCOC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001660802298 1196527588 /nfs/dbraw/zinc/52/75/88/1196527588.db2.gz KADKLTBFZTVCOM-UHFFFAOYSA-N 0 3 317.433 3.105 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001660855915 1196536550 /nfs/dbraw/zinc/53/65/50/1196536550.db2.gz VXFCKVCWPRSIKJ-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001660863105 1196536844 /nfs/dbraw/zinc/53/68/44/1196536844.db2.gz VYYIQKHBCWSKKI-PMACEKPBSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001661024679 1196555789 /nfs/dbraw/zinc/55/57/89/1196555789.db2.gz WOYKYYIRARJMDG-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001661087190 1196563992 /nfs/dbraw/zinc/56/39/92/1196563992.db2.gz RUSVARBJBKABBH-CVEARBPZSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001661087193 1196564176 /nfs/dbraw/zinc/56/41/76/1196564176.db2.gz RUSVARBJBKABBH-JKSUJKDBSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001661090717 1196565337 /nfs/dbraw/zinc/56/53/37/1196565337.db2.gz TYAHSZPQBZXFJK-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCC(=O)NC[C@H](N[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC001661111669 1196569297 /nfs/dbraw/zinc/56/92/97/1196569297.db2.gz DMTPCTLMDQTUCJ-SJCJKPOMSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1cc(C)ns1)C1CC1 ZINC001661152493 1196573556 /nfs/dbraw/zinc/57/35/56/1196573556.db2.gz RLKRUVLCNINBKY-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001661262744 1196589553 /nfs/dbraw/zinc/58/95/53/1196589553.db2.gz VPWUYDWSNDJYCM-HRCADAONSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001661268121 1196590430 /nfs/dbraw/zinc/59/04/30/1196590430.db2.gz XQUXQWFBHUZANE-WCXIOVBPSA-N 0 3 302.462 3.207 20 30 DGEDHN CCc1cc(OC)ccc1CNCc1cccc(OCC#N)c1 ZINC001661428692 1196605026 /nfs/dbraw/zinc/60/50/26/1196605026.db2.gz CAUKNNZJTKAEJF-UHFFFAOYSA-N 0 3 310.397 3.450 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001661742633 1196639447 /nfs/dbraw/zinc/63/94/47/1196639447.db2.gz DRIDMJNAACAALZ-ZWKOTPCHSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001661751896 1196639912 /nfs/dbraw/zinc/63/99/12/1196639912.db2.gz ABPSPYVJSOHYFL-ROUUACIJSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001661744470 1196639975 /nfs/dbraw/zinc/63/99/75/1196639975.db2.gz YEYCDBYSANXONV-RTBURBONSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001661886457 1196658256 /nfs/dbraw/zinc/65/82/56/1196658256.db2.gz VEFDISFPJSDHIH-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](CCC)CC(C)C ZINC001661896123 1196660217 /nfs/dbraw/zinc/66/02/17/1196660217.db2.gz LHTIIFZCZAUSGC-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CCC)CC1 ZINC001661977012 1196669212 /nfs/dbraw/zinc/66/92/12/1196669212.db2.gz INQDJMSZPTZPIZ-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001661988957 1196671599 /nfs/dbraw/zinc/67/15/99/1196671599.db2.gz HHZVEFIAHVTFFM-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCNC(=O)CNCc1ccc(-c2ccc(C)cc2)s1 ZINC001662055962 1196678036 /nfs/dbraw/zinc/67/80/36/1196678036.db2.gz QQTLNOPMLJQCRY-UHFFFAOYSA-N 0 3 300.427 3.115 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc(C)c1Cl ZINC001662988769 1196779886 /nfs/dbraw/zinc/77/98/86/1196779886.db2.gz IMSNDCSIDDEBIC-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001663192998 1196809719 /nfs/dbraw/zinc/80/97/19/1196809719.db2.gz PYMFGJNVNMGSFN-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)Cc1ccc(Cl)cc1C ZINC001663377511 1196852245 /nfs/dbraw/zinc/85/22/45/1196852245.db2.gz SSXACYCJVAVGGK-UHFFFAOYSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001663547621 1196902138 /nfs/dbraw/zinc/90/21/38/1196902138.db2.gz JZYKNRIDVRECIG-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001663614274 1196913767 /nfs/dbraw/zinc/91/37/67/1196913767.db2.gz QUUIUVUFVXJNQP-CABCVRRESA-N 0 3 306.475 3.289 20 30 DGEDHN O=C(C#CC1CC1)NCCN(Cc1ccccc1C1CC1)C1CC1 ZINC001663722489 1196934900 /nfs/dbraw/zinc/93/49/00/1196934900.db2.gz MNDZXVQXBJCWRD-UHFFFAOYSA-N 0 3 322.452 3.058 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1ccc(F)cc1Cl)C1CC1 ZINC001663754178 1196940634 /nfs/dbraw/zinc/94/06/34/1196940634.db2.gz UYCDUEKFLBOYSE-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2ccc(C)cc2)CCC1)C1CC1 ZINC001663777253 1196944690 /nfs/dbraw/zinc/94/46/90/1196944690.db2.gz JDXXSJLFJMJGHF-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN C#Cc1ccc(CN(C)C[C@H]2CN(CC)c3ccccc3O2)cc1 ZINC001664091440 1196971243 /nfs/dbraw/zinc/97/12/43/1196971243.db2.gz HRHMTSLBMOIABA-IBGZPJMESA-N 0 3 320.436 3.387 20 30 DGEDHN C#CCCCCCCN1CCN(c2cccc(OC)c2)CC1 ZINC001664133879 1196974383 /nfs/dbraw/zinc/97/43/83/1196974383.db2.gz NUHFJLWAVBJXMD-UHFFFAOYSA-N 0 3 300.446 3.401 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNCC#Cc1ccccc1 ZINC001664547574 1197011892 /nfs/dbraw/zinc/01/18/92/1197011892.db2.gz PTMJTNSZELEMMR-MRXNPFEDSA-N 0 3 316.445 3.273 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](C)C(C)(C)C)c1ccccc1 ZINC001664583240 1197017402 /nfs/dbraw/zinc/01/74/02/1197017402.db2.gz JMXKCQKZJFOHNK-DOTOQJQBSA-N 0 3 300.446 3.139 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC12CCCC2)c1ccccc1 ZINC001664597751 1197018772 /nfs/dbraw/zinc/01/87/72/1197018772.db2.gz FCVDTDKAZUJYRD-ZWKOTPCHSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccccc1C)c1ccccc1 ZINC001664597678 1197018979 /nfs/dbraw/zinc/01/89/79/1197018979.db2.gz CFXHUJVQHLQTAY-IBGZPJMESA-N 0 3 308.425 3.171 20 30 DGEDHN C=CCC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC)c1ccccc1 ZINC001664647559 1197024920 /nfs/dbraw/zinc/02/49/20/1197024920.db2.gz YNUPPDLHPMUWQS-OTWHNJEPSA-N 0 3 312.457 3.432 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001664663470 1197030468 /nfs/dbraw/zinc/03/04/68/1197030468.db2.gz YJAQTIOOOMRSOH-OAHLLOKOSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001664679222 1197034154 /nfs/dbraw/zinc/03/41/54/1197034154.db2.gz UABJSPBQEKPFSB-KGLIPLIRSA-N 0 3 320.399 3.464 20 30 DGEDHN CC/C=C(\C)C(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001664700502 1197040114 /nfs/dbraw/zinc/04/01/14/1197040114.db2.gz KNPTXHVAIKSCPG-UIHGZKEASA-N 0 3 324.468 3.223 20 30 DGEDHN CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC001665140649 1197102370 /nfs/dbraw/zinc/10/23/70/1197102370.db2.gz LYVIHQPGDFJFBK-JKSUJKDBSA-N 0 3 324.852 3.267 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCc3cccs3)C2)CCC1 ZINC001665487031 1197142849 /nfs/dbraw/zinc/14/28/49/1197142849.db2.gz DKVJRYZETPBWRO-HNNXBMFYSA-N 0 3 318.486 3.228 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001665516687 1197147105 /nfs/dbraw/zinc/14/71/05/1197147105.db2.gz RABHORMCKSUJAF-KBPBESRZSA-N 0 3 321.490 3.425 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCC2CCOCC2)C1 ZINC001665720950 1197180817 /nfs/dbraw/zinc/18/08/17/1197180817.db2.gz OBJFTHXLMPNHKX-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001665732574 1197182240 /nfs/dbraw/zinc/18/22/40/1197182240.db2.gz WBKGYQGWRRRLIR-QWHCGFSZSA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001665737566 1197184148 /nfs/dbraw/zinc/18/41/48/1197184148.db2.gz KZOQRXSMDREPOS-SJORKVTESA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CC2CCC1CC2)C1CC1 ZINC001666044555 1197230643 /nfs/dbraw/zinc/23/06/43/1197230643.db2.gz SHBGABDFLXNSIG-WOVHFWOGSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cccn2CC)C1 ZINC001666173763 1197241416 /nfs/dbraw/zinc/24/14/16/1197241416.db2.gz UZPJSPFNHOPAPI-HNNXBMFYSA-N 0 3 323.868 3.092 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001666660008 1197277036 /nfs/dbraw/zinc/27/70/36/1197277036.db2.gz NEDFKFPHEVZFNS-KRWDZBQOSA-N 0 3 315.461 3.162 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)/C=C\c2ccco2)CCCC1 ZINC001666738100 1197281179 /nfs/dbraw/zinc/28/11/79/1197281179.db2.gz ODQBBOXEFZTOCK-SREVYHEPSA-N 0 3 308.809 3.064 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccn1 ZINC001667374694 1197341836 /nfs/dbraw/zinc/34/18/36/1197341836.db2.gz KECLYHIPRWCEKX-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ncccc1C ZINC001667369817 1197342066 /nfs/dbraw/zinc/34/20/66/1197342066.db2.gz ZRXVOPTXWOTCOW-AEFFLSMTSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Br)CN[C@@H](CNC(=O)C(C)(C)CC)C(C)C ZINC001667488341 1197352685 /nfs/dbraw/zinc/35/26/85/1197352685.db2.gz DVQNTNAQWTXXLX-LBPRGKRZSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001667580752 1197364474 /nfs/dbraw/zinc/36/44/74/1197364474.db2.gz OKIAWIRTAYCXTJ-UHFFFAOYSA-N 0 3 304.478 3.025 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001667656698 1197375267 /nfs/dbraw/zinc/37/52/67/1197375267.db2.gz GYLBYMRQZLMWCT-UHFFFAOYSA-N 0 3 318.486 3.044 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001667659462 1197375771 /nfs/dbraw/zinc/37/57/71/1197375771.db2.gz FBLCSWORGDPFGJ-ZDUSSCGKSA-N 0 3 306.475 3.063 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1c[nH]cc1-c1ccccc1 ZINC001667663912 1197376887 /nfs/dbraw/zinc/37/68/87/1197376887.db2.gz FBYSXHVQBBMTTC-UHFFFAOYSA-N 0 3 311.429 3.262 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cn(C)c2ccccc12 ZINC001668128353 1197401232 /nfs/dbraw/zinc/40/12/32/1197401232.db2.gz VPLZMYRBSGNXBV-ZDUSSCGKSA-N 0 3 319.836 3.029 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1nc(C)c(C)s1 ZINC001668224009 1197405511 /nfs/dbraw/zinc/40/55/11/1197405511.db2.gz KDJCLOGWASLQFR-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(F)c1Cl ZINC001668224967 1197406024 /nfs/dbraw/zinc/40/60/24/1197406024.db2.gz ZAQHNTFCRRCLJL-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=CCCC(=O)N(CC)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001668377053 1197412733 /nfs/dbraw/zinc/41/27/33/1197412733.db2.gz FWORXRNPZQNAFJ-CYBMUJFWSA-N 0 3 310.388 3.430 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@H](C)C(C)(C)C ZINC001668468862 1197416391 /nfs/dbraw/zinc/41/63/91/1197416391.db2.gz IHYUMPVZCWPXRW-HNNXBMFYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001668977213 1197435643 /nfs/dbraw/zinc/43/56/43/1197435643.db2.gz DXILREUFLBBTJK-AATRIKPKSA-N 0 3 306.837 3.314 20 30 DGEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C2CCC=CCC2)c1 ZINC001669195921 1197443205 /nfs/dbraw/zinc/44/32/05/1197443205.db2.gz WHFHSALFNQAFGF-WAYWQWQTSA-N 0 3 323.440 3.067 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN[C@H](C)c1cccc(Cl)c1F ZINC001669280509 1197446892 /nfs/dbraw/zinc/44/68/92/1197446892.db2.gz JILKLOOSUZCKEN-CHWSQXEVSA-N 0 3 324.827 3.438 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cccc(CSCC)c1 ZINC001669387173 1197452520 /nfs/dbraw/zinc/45/25/20/1197452520.db2.gz HZDPEELLKWZZPK-UHFFFAOYSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](C)CNCc1cccnc1)c1ccccc1 ZINC001669478913 1197457109 /nfs/dbraw/zinc/45/71/09/1197457109.db2.gz VSSGQFUELFYPPD-SJLPKXTDSA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccc(F)c(F)c2)CCC1 ZINC001669657851 1197468715 /nfs/dbraw/zinc/46/87/15/1197468715.db2.gz QIQHEFZMMXEBAC-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001669698009 1197471235 /nfs/dbraw/zinc/47/12/35/1197471235.db2.gz GYIUAVGADCUBAQ-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2cccc(C)c2)C1 ZINC001669877147 1197496240 /nfs/dbraw/zinc/49/62/40/1197496240.db2.gz CKUVJQZLMXQKNR-MRXNPFEDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cccc(Cl)c2F)CC1 ZINC001671428551 1197539037 /nfs/dbraw/zinc/53/90/37/1197539037.db2.gz CVQCMPUBOZOTSN-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CCN(CC=C)CC1 ZINC001671476931 1197541743 /nfs/dbraw/zinc/54/17/43/1197541743.db2.gz BCXRAHCZLCHJSN-FUHWJXTLSA-N 0 3 316.489 3.171 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001671593404 1197550881 /nfs/dbraw/zinc/55/08/81/1197550881.db2.gz JMJSDNJYYOXCLC-PKOBYXMFSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001671638556 1197555996 /nfs/dbraw/zinc/55/59/96/1197555996.db2.gz SJJAJCJECKDRGC-JTPHSUOKSA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001671679271 1197561425 /nfs/dbraw/zinc/56/14/25/1197561425.db2.gz UMWMBCMLEUEWDZ-RDTXWAMCSA-N 0 3 304.409 3.086 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001671892760 1197582059 /nfs/dbraw/zinc/58/20/59/1197582059.db2.gz UEXNMGHADSFRNY-LJQANCHMSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2csc(Cl)c2)C1 ZINC001671908921 1197583764 /nfs/dbraw/zinc/58/37/64/1197583764.db2.gz ZGVIZFBRNWATBW-OAHLLOKOSA-N 0 3 312.866 3.419 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCCCC(C)C)C1 ZINC001671912606 1197585001 /nfs/dbraw/zinc/58/50/01/1197585001.db2.gz PCHJZHPYXGHTLL-LJQANCHMSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@@H](C=C)CC)C2)CC1 ZINC001672172020 1197594615 /nfs/dbraw/zinc/59/46/15/1197594615.db2.gz VUFMBMVXZAGMHN-PKOBYXMFSA-N 0 3 316.489 3.173 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H]([C@H](C)NCc2nc(C)sc2C)C1 ZINC001672192031 1197596224 /nfs/dbraw/zinc/59/62/24/1197596224.db2.gz YCZGFAQIWZOWAI-SWLSCSKDSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCN(C)CCCNC(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001672303423 1197604332 /nfs/dbraw/zinc/60/43/32/1197604332.db2.gz YRFQITWBSUBAAE-IRXDYDNUSA-N 0 3 321.509 3.093 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC001672917615 1197628402 /nfs/dbraw/zinc/62/84/02/1197628402.db2.gz YEPXCUAESJYWKH-AWEZNQCLSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001672924895 1197628475 /nfs/dbraw/zinc/62/84/75/1197628475.db2.gz HZNHFTHCZSSPFM-BWTSREIZSA-N 0 3 312.457 3.357 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC001672917617 1197628608 /nfs/dbraw/zinc/62/86/08/1197628608.db2.gz YEPXCUAESJYWKH-CQSZACIVSA-N 0 3 324.896 3.393 20 30 DGEDHN CCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1Cl ZINC001673079632 1197636588 /nfs/dbraw/zinc/63/65/88/1197636588.db2.gz IHTVEPXTOUBILX-MRXNPFEDSA-N 0 3 318.848 3.072 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C=C(CC)CC)C2 ZINC001673644755 1197683913 /nfs/dbraw/zinc/68/39/13/1197683913.db2.gz AYUHMHHGWBAZBN-LJQANCHMSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](C)n3cccc3)cc2C1 ZINC001673761542 1197690422 /nfs/dbraw/zinc/69/04/22/1197690422.db2.gz XYFHODQFZREGRK-MRXNPFEDSA-N 0 3 323.440 3.257 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001673871605 1197700313 /nfs/dbraw/zinc/70/03/13/1197700313.db2.gz GKHTVKIGDPLWRT-BLLLJJGKSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2c(C)nsc2C)[C@@H](C)C1 ZINC001673871606 1197700529 /nfs/dbraw/zinc/70/05/29/1197700529.db2.gz GKHTVKIGDPLWRT-LRDDRELGSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccco2)C(C)(C)C1 ZINC001674034709 1197726171 /nfs/dbraw/zinc/72/61/71/1197726171.db2.gz WTGBZCKGBHGYPS-ZBFHGGJFSA-N 0 3 304.434 3.176 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001674140127 1197737481 /nfs/dbraw/zinc/73/74/81/1197737481.db2.gz DRGMIXNKGLTESV-OLZOCXBDSA-N 0 3 306.372 3.264 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1c2ccccc2CCN1CCC ZINC001674271601 1197754473 /nfs/dbraw/zinc/75/44/73/1197754473.db2.gz LHZXXSBSEFVUHY-IBGZPJMESA-N 0 3 312.457 3.306 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)CC1CC1 ZINC001674267576 1197754943 /nfs/dbraw/zinc/75/49/43/1197754943.db2.gz UNZBWRWUTZYGAS-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)Cc1ccco1 ZINC001674271959 1197756597 /nfs/dbraw/zinc/75/65/97/1197756597.db2.gz PCMHLDXJDWFQBR-LJQANCHMSA-N 0 3 324.424 3.114 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC001674429778 1197771536 /nfs/dbraw/zinc/77/15/36/1197771536.db2.gz WLNLORIOUMVORD-CDHQVMDDSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CC(C)(C)CC(F)(F)F ZINC001674495235 1197787637 /nfs/dbraw/zinc/78/76/37/1197787637.db2.gz DKBCNMJCKXPDMW-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccc(C)s1 ZINC001674500016 1197788871 /nfs/dbraw/zinc/78/88/71/1197788871.db2.gz UMRCVVOIDCEDGA-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCCC(=O)NC1CC(CN[C@H](C)c2c(F)cccc2F)C1 ZINC001674525522 1197794036 /nfs/dbraw/zinc/79/40/36/1197794036.db2.gz ASDQKVSMCTTWGY-IYXRBSQSSA-N 0 3 322.399 3.476 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001674749034 1197857612 /nfs/dbraw/zinc/85/76/12/1197857612.db2.gz UPTLGFVRNNOWDR-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1ccc(Cl)cc1 ZINC001674925795 1197923558 /nfs/dbraw/zinc/92/35/58/1197923558.db2.gz PMOPIWWUSYXQGB-AWEZNQCLSA-N 0 3 320.864 3.326 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2cccc(C)c2)cc1 ZINC001674975329 1197941771 /nfs/dbraw/zinc/94/17/71/1197941771.db2.gz KAPJINLIZJLCTF-KRWDZBQOSA-N 0 3 320.436 3.227 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1csc(C)n1 ZINC001674992364 1197952182 /nfs/dbraw/zinc/95/21/82/1197952182.db2.gz XYDWCNSPPXWRJT-DYVFJYSZSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(OC)cc1 ZINC001675003805 1197954121 /nfs/dbraw/zinc/95/41/21/1197954121.db2.gz RASHYOYFMQPKJS-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(CC)c(CCC)s1 ZINC001675043166 1197977375 /nfs/dbraw/zinc/97/73/75/1197977375.db2.gz QLCHEDCUQYCWGD-ZDUSSCGKSA-N 0 3 308.491 3.499 20 30 DGEDHN CCC(=O)NC1(CNCc2ccc(C#N)cc2F)CCCCC1 ZINC001675159903 1197996722 /nfs/dbraw/zinc/99/67/22/1197996722.db2.gz IVFOUFJBVBNMAN-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN C=C1CN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001675181167 1198000843 /nfs/dbraw/zinc/00/08/43/1198000843.db2.gz HRDKZLMDLQBTQI-HNNXBMFYSA-N 0 3 319.474 3.103 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001675369904 1198055569 /nfs/dbraw/zinc/05/55/69/1198055569.db2.gz VRFUGFRCKISAKC-HUUCEWRRSA-N 0 3 318.436 3.017 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1nc(Cl)cs1 ZINC001675958577 1198179588 /nfs/dbraw/zinc/17/95/88/1198179588.db2.gz HVUJGLHCEYTOSP-SECBINFHSA-N 0 3 322.261 3.037 20 30 DGEDHN CCC(=CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1)CC ZINC001676331730 1198293366 /nfs/dbraw/zinc/29/33/66/1198293366.db2.gz YQHSKSKSMUEMBE-ZDUSSCGKSA-N 0 3 319.474 3.303 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3sccc3s2)C1 ZINC001676734516 1198376174 /nfs/dbraw/zinc/37/61/74/1198376174.db2.gz FPZOXCFJYOQQCN-NWDGAFQWSA-N 0 3 318.467 3.179 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2c(C)nsc2C)C[C@H]1C ZINC001676755432 1198380991 /nfs/dbraw/zinc/38/09/91/1198380991.db2.gz LABJUVFAFJEIIA-IUODEOHRSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C(F)=C2CCCC2)CC1 ZINC001677354416 1198521309 /nfs/dbraw/zinc/52/13/09/1198521309.db2.gz LKMVODSNLFUHNK-AWEZNQCLSA-N 0 3 306.425 3.024 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC001677467398 1198540558 /nfs/dbraw/zinc/54/05/58/1198540558.db2.gz KJQAYTYAIBGZAZ-SJORKVTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)/C=C/c2ccco2)c(F)c1 ZINC001677640408 1198565327 /nfs/dbraw/zinc/56/53/27/1198565327.db2.gz OPBJHRHMECELPY-BQYQJAHWSA-N 0 3 314.360 3.024 20 30 DGEDHN C=CCCCCCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001681791741 1199082738 /nfs/dbraw/zinc/08/27/38/1199082738.db2.gz XAOJOCUFFBMUAU-DLBZAZTESA-N 0 3 307.482 3.391 20 30 DGEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1ncccc1C#N ZINC000404310786 1199548404 /nfs/dbraw/zinc/54/84/04/1199548404.db2.gz KWXMCFBRYNBFCM-YESZJQIVSA-N 0 3 320.440 3.441 20 30 DGEDHN COc1ccc(C#N)c(O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000303392672 1199594139 /nfs/dbraw/zinc/59/41/39/1199594139.db2.gz GGNCFSCQHYJBLE-SFHVURJKSA-N 0 3 308.381 3.220 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001688886612 1199942510 /nfs/dbraw/zinc/94/25/10/1199942510.db2.gz SZYWEZMVYKFCBW-QAPCUYQASA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCc1ccccc1 ZINC001688886436 1199943084 /nfs/dbraw/zinc/94/30/84/1199943084.db2.gz PCJNFONGIGGNSC-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001688897079 1199949294 /nfs/dbraw/zinc/94/92/94/1199949294.db2.gz POCWPEOWPCEVNI-HIFRSBDPSA-N 0 3 322.399 3.177 20 30 DGEDHN O=C(CCC1CCC1)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001688900990 1199951496 /nfs/dbraw/zinc/95/14/96/1199951496.db2.gz BOGDGAGIAVDLAP-BGYRXZFFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001688903694 1199952593 /nfs/dbraw/zinc/95/25/93/1199952593.db2.gz RNLJTMMOZIFXAE-GASCZTMLSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCC(F)(F)F)C1 ZINC001698585143 1199971814 /nfs/dbraw/zinc/97/18/14/1199971814.db2.gz KZQIKWVGARASAU-CYBMUJFWSA-N 0 3 306.372 3.218 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001688955585 1199972047 /nfs/dbraw/zinc/97/20/47/1199972047.db2.gz URPAUJPQBLCTEZ-RBUKOAKNSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001753869077 1200020931 /nfs/dbraw/zinc/02/09/31/1200020931.db2.gz GVALMCMKQHPQCW-CYBMUJFWSA-N 0 3 310.388 3.035 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C/C=C\c1ccccc1 ZINC001689172789 1200052412 /nfs/dbraw/zinc/05/24/12/1200052412.db2.gz YWEJAIXOJATELR-JRDMDSSDSA-N 0 3 322.452 3.082 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001689232172 1200065612 /nfs/dbraw/zinc/06/56/12/1200065612.db2.gz VTJIXDUTHGNVTN-KURKYZTESA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C)c(F)c1F ZINC001754002121 1200067703 /nfs/dbraw/zinc/06/77/03/1200067703.db2.gz NQUCYDDEDCURRT-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN O=C(CC1CC1)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001689254258 1200068137 /nfs/dbraw/zinc/06/81/37/1200068137.db2.gz STFJRUYBOIQSBL-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CNCc1ccccc1Cl ZINC001754223641 1200138399 /nfs/dbraw/zinc/13/83/99/1200138399.db2.gz FWCFHGHJLQURIH-CQSZACIVSA-N 0 3 306.837 3.128 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001754304854 1200189422 /nfs/dbraw/zinc/18/94/22/1200189422.db2.gz MQQKSJXUOAXNIT-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001754309157 1200194726 /nfs/dbraw/zinc/19/47/26/1200194726.db2.gz AEJRXDVXFHBFQC-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[C@H]1CCC ZINC001754381289 1200247210 /nfs/dbraw/zinc/24/72/10/1200247210.db2.gz BMLHUADZOSJGCR-CABCVRRESA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(F)ccc1CC ZINC001754382396 1200247967 /nfs/dbraw/zinc/24/79/67/1200247967.db2.gz LFSXEWCJTLLJAG-UHFFFAOYSA-N 0 3 312.816 3.192 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001754494569 1200307606 /nfs/dbraw/zinc/30/76/06/1200307606.db2.gz UUZCOBCSFDWVTR-CYBMUJFWSA-N 0 3 309.841 3.219 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001754500458 1200316283 /nfs/dbraw/zinc/31/62/83/1200316283.db2.gz JPTOZETXGSJNQM-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001754501688 1200318498 /nfs/dbraw/zinc/31/84/98/1200318498.db2.gz VPTQFPOUGPXFRA-NVXWUHKLSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1CCN1CC(C)C)c1ccccc1 ZINC001754505552 1200319035 /nfs/dbraw/zinc/31/90/35/1200319035.db2.gz PXAVRUQXOAOERT-MSOLQXFVSA-N 0 3 300.446 3.193 20 30 DGEDHN CC(C)=CC(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001689897519 1200320676 /nfs/dbraw/zinc/32/06/76/1200320676.db2.gz ZKRYWSHAOQKIKU-AZUAARDMSA-N 0 3 324.468 3.364 20 30 DGEDHN C[C@H](NC1(CNC(=O)C#CC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001754514184 1200330070 /nfs/dbraw/zinc/33/00/70/1200330070.db2.gz UFBSNYVWRKTJSX-AWEZNQCLSA-N 0 3 316.420 3.175 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C(C)(C)CCC)C2)CC1 ZINC001754560868 1200363183 /nfs/dbraw/zinc/36/31/83/1200363183.db2.gz YHBOWVFFDAAABJ-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2nc(C)sc2C)C[C@@H]1C ZINC001754588608 1200384010 /nfs/dbraw/zinc/38/40/10/1200384010.db2.gz AZIBPFHCFPSFHJ-WFASDCNBSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2sccc2F)C1 ZINC001690089165 1200394861 /nfs/dbraw/zinc/39/48/61/1200394861.db2.gz OYFGUUHHTDCYBZ-CYBMUJFWSA-N 0 3 310.438 3.438 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001754631223 1200408863 /nfs/dbraw/zinc/40/88/63/1200408863.db2.gz NCCHIEHZWCKRSN-INIZCTEOSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCN(C(=O)CC1(C)CCCC1)C1CCN(CC(=C)C)CC1 ZINC001754635370 1200409764 /nfs/dbraw/zinc/40/97/64/1200409764.db2.gz FJKRDEDKOYELEI-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001690131751 1200412348 /nfs/dbraw/zinc/41/23/48/1200412348.db2.gz YQFMBEPJDFJGGH-QZTJIDSGSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)CCC)C2 ZINC001754661113 1200423114 /nfs/dbraw/zinc/42/31/14/1200423114.db2.gz WYOBOPOYCXZELY-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001754723824 1200469029 /nfs/dbraw/zinc/46/90/29/1200469029.db2.gz NQKQFNWBGQOXOX-LJQANCHMSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncsc2C2CC2)C1 ZINC001754730048 1200474698 /nfs/dbraw/zinc/47/46/98/1200474698.db2.gz BTYTVVRZNYOSDH-QGZVFWFLSA-N 0 3 319.474 3.038 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccn2C(C)C)C1 ZINC001754734907 1200479700 /nfs/dbraw/zinc/47/97/00/1200479700.db2.gz ZRPPJFJDRXGGCT-GOSISDBHSA-N 0 3 303.450 3.087 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccncc1C)c1ccccc1CC ZINC001754786020 1200487209 /nfs/dbraw/zinc/48/72/09/1200487209.db2.gz SAXRTTFNLNHLFW-IBGZPJMESA-N 0 3 323.440 3.199 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C#CC(C)C)c1ccccc1CC ZINC001754785880 1200488234 /nfs/dbraw/zinc/48/82/34/1200488234.db2.gz RHGXFSOHARPLAJ-IBGZPJMESA-N 0 3 312.457 3.231 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001690355787 1200508807 /nfs/dbraw/zinc/50/88/07/1200508807.db2.gz LXRSNGCRSHUSDW-JKIFEVAISA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001754908376 1200533354 /nfs/dbraw/zinc/53/33/54/1200533354.db2.gz VKCWVDULMFRJMH-DZGCQCFKSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2cc(F)ccc2F)C1 ZINC001754908424 1200533841 /nfs/dbraw/zinc/53/38/41/1200533841.db2.gz VZMQVRDBKHUUNK-CQSZACIVSA-N 0 3 322.399 3.259 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001690389949 1200533994 /nfs/dbraw/zinc/53/39/94/1200533994.db2.gz FVDNEOGWZCFZPR-OALUTQOASA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001690389982 1200534289 /nfs/dbraw/zinc/53/42/89/1200534289.db2.gz GNUTYLZISCEERN-FUHWJXTLSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC001754939967 1200543320 /nfs/dbraw/zinc/54/33/20/1200543320.db2.gz XZUVUNDXRWIQDN-HOTGVXAUSA-N 0 3 323.868 3.020 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)COC(C)(C)C ZINC001754946117 1200548867 /nfs/dbraw/zinc/54/88/67/1200548867.db2.gz WNGRHOWQMHFAOS-UHFFFAOYSA-N 0 3 318.461 3.126 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC001754949090 1200550376 /nfs/dbraw/zinc/55/03/76/1200550376.db2.gz VZNMFMBVRFNZPN-CRAIPNDOSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(C(C)(F)F)CC2)cc1 ZINC001754948978 1200550615 /nfs/dbraw/zinc/55/06/15/1200550615.db2.gz TYOFXBCTNXHZLG-CYBMUJFWSA-N 0 3 320.383 3.022 20 30 DGEDHN C=C/C(C)=C/CC(=O)NCc1ccc([C@H](C)NCC#CC)cc1 ZINC001754948436 1200550664 /nfs/dbraw/zinc/55/06/64/1200550664.db2.gz JIGGHMINLJLZSL-BDBSJLECSA-N 0 3 310.441 3.499 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cnccc2C)CC1 ZINC001755026874 1200588175 /nfs/dbraw/zinc/58/81/75/1200588175.db2.gz YYMCYLNHNPQIEN-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)C1(C)CC1 ZINC001755075931 1200629372 /nfs/dbraw/zinc/62/93/72/1200629372.db2.gz PLIHIBXLKZFCSH-GOSISDBHSA-N 0 3 312.457 3.296 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)NCc1ccc(Cl)s1 ZINC001690573251 1200631965 /nfs/dbraw/zinc/63/19/65/1200631965.db2.gz RSJCIZGTWKRZDG-LLVKDONJSA-N 0 3 312.866 3.045 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@H](C)OCC)cc2C1 ZINC001755100833 1200635810 /nfs/dbraw/zinc/63/58/10/1200635810.db2.gz IQQIZNMESNVWMW-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2c(C)nsc2C)CCC1 ZINC001690618927 1200651904 /nfs/dbraw/zinc/65/19/04/1200651904.db2.gz KMAJUABOSYQWAF-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001755138194 1200656548 /nfs/dbraw/zinc/65/65/48/1200656548.db2.gz ZGZSRGMUUNDKKB-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C(C)(C)C1 ZINC001755143631 1200662368 /nfs/dbraw/zinc/66/23/68/1200662368.db2.gz MDSRKCGHGYBSCY-LBPRGKRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H]1CCN(CC#CC)CC1(C)C)c1ccccc1 ZINC001755144010 1200662886 /nfs/dbraw/zinc/66/28/86/1200662886.db2.gz UQOIJIRTHBFNQQ-RTBURBONSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001755184037 1200682890 /nfs/dbraw/zinc/68/28/90/1200682890.db2.gz LZCPQXMWDRTWHX-HNNXBMFYSA-N 0 3 318.864 3.294 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CSCCC ZINC001755185815 1200685349 /nfs/dbraw/zinc/68/53/49/1200685349.db2.gz UUJNCRFAWUZDSB-SJLPKXTDSA-N 0 3 318.486 3.078 20 30 DGEDHN CN(C/C=C/c1ccccc1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC001755192951 1200691814 /nfs/dbraw/zinc/69/18/14/1200691814.db2.gz OJTNGMTXOLECCO-MVHVFESUSA-N 0 3 322.452 3.036 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001690762591 1200702296 /nfs/dbraw/zinc/70/22/96/1200702296.db2.gz NLWBNBWFHQSOIS-ZWKOTPCHSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001755214393 1200706451 /nfs/dbraw/zinc/70/64/51/1200706451.db2.gz UXRANWSMYLENEN-YLZDHBLKSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001755219691 1200709920 /nfs/dbraw/zinc/70/99/20/1200709920.db2.gz CUGJYYPMYDFMEZ-SHARSMKWSA-N 0 3 300.874 3.296 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)C1CCCCC1 ZINC001755222567 1200712919 /nfs/dbraw/zinc/71/29/19/1200712919.db2.gz FIUKSTINFNRBLC-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN CCCC(=O)NCCC[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC001690882698 1200764297 /nfs/dbraw/zinc/76/42/97/1200764297.db2.gz GWCSCANEIHJZEJ-CQSZACIVSA-N 0 3 319.474 3.281 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cnccc1C ZINC001690893456 1200771278 /nfs/dbraw/zinc/77/12/78/1200771278.db2.gz VMRQJACQYHAOQU-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001755299499 1200779416 /nfs/dbraw/zinc/77/94/16/1200779416.db2.gz VLZIICKRNVGVAI-CABCVRRESA-N 0 3 320.864 3.497 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)CCc1scnc1C ZINC001755304074 1200784850 /nfs/dbraw/zinc/78/48/50/1200784850.db2.gz UUQNBKOFXBYOGA-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)CCc1scnc1C ZINC001755304073 1200785172 /nfs/dbraw/zinc/78/51/72/1200785172.db2.gz UUQNBKOFXBYOGA-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2Cl ZINC001690936370 1200796076 /nfs/dbraw/zinc/79/60/76/1200796076.db2.gz ARJJRKRWHSGQDO-QGZVFWFLSA-N 0 3 318.848 3.179 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@H]1CN(C)Cc1ccccc1 ZINC001691785064 1200805863 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C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2cc(C)ccc2F)C1 ZINC001698614059 1201286046 /nfs/dbraw/zinc/28/60/46/1201286046.db2.gz VOQIQZDDEDDTNQ-MRXNPFEDSA-N 0 3 318.436 3.475 20 30 DGEDHN CCC(CC)CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001698617219 1201289102 /nfs/dbraw/zinc/28/91/02/1201289102.db2.gz XXLRWUURVQCGTL-LJQANCHMSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2cccs2)CCCC1 ZINC001698624705 1201295023 /nfs/dbraw/zinc/29/50/23/1201295023.db2.gz YTIYCPBALJTWKI-UHFFFAOYSA-N 0 3 312.866 3.062 20 30 DGEDHN C[C@@H](NCC1(NC(=O)[C@@H](C)C#N)CCCC1)c1ccccc1F ZINC001698626937 1201296234 /nfs/dbraw/zinc/29/62/34/1201296234.db2.gz HPFOMKKCPGLWGJ-UONOGXRCSA-N 0 3 317.408 3.065 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1cc(F)ccc1F)C1CC1 ZINC001698645101 1201308244 /nfs/dbraw/zinc/30/82/44/1201308244.db2.gz ROXYRTNNVWISTO-SFHVURJKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001698647354 1201310302 /nfs/dbraw/zinc/31/03/02/1201310302.db2.gz 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304.478 3.197 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001699624795 1201986903 /nfs/dbraw/zinc/98/69/03/1201986903.db2.gz WIOHVSSQWXVFMA-UKRRQHHQSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001699627065 1201989368 /nfs/dbraw/zinc/98/93/68/1201989368.db2.gz FMKZBJLNXGRNSP-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001699627783 1201990022 /nfs/dbraw/zinc/99/00/22/1201990022.db2.gz YSFYSSJTHXWTMG-KBPBESRZSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001699639462 1202004906 /nfs/dbraw/zinc/00/49/06/1202004906.db2.gz RYZVGNWQZJRPQE-KRWDZBQOSA-N 0 3 311.429 3.018 20 30 DGEDHN CCC(CC)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001752910700 1202008010 /nfs/dbraw/zinc/00/80/10/1202008010.db2.gz UPXLDQUXUSQNCR-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001699643589 1202009271 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C#CCN(C(=O)/C=C\C(C)(C)C)C1CCN(CC(=C)C)CC1 ZINC001699779712 1202077296 /nfs/dbraw/zinc/07/72/96/1202077296.db2.gz LDHLZESGIDRMCB-FLIBITNWSA-N 0 3 302.462 3.091 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001699804612 1202085135 /nfs/dbraw/zinc/08/51/35/1202085135.db2.gz BJRNYFDOECEYSF-FQEVSTJZSA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001699804613 1202085684 /nfs/dbraw/zinc/08/56/84/1202085684.db2.gz BJRNYFDOECEYSF-HXUWFJFHSA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2cccc(CC)c2)C1 ZINC001699811566 1202089669 /nfs/dbraw/zinc/08/96/69/1202089669.db2.gz KTQPHRIDYJNLCN-LJQANCHMSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001753061262 1202091105 /nfs/dbraw/zinc/09/11/05/1202091105.db2.gz DPUGXMZXJQHKQE-QGZVFWFLSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCCCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001699822232 1202098237 /nfs/dbraw/zinc/09/82/37/1202098237.db2.gz 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C#CCCN[C@H](CNC(=O)C1=CCCC1)c1ccccc1CC ZINC001699931884 1202139911 /nfs/dbraw/zinc/13/99/11/1202139911.db2.gz GCCFYFIOXRLCRW-LJQANCHMSA-N 0 3 310.441 3.130 20 30 DGEDHN CCCN(CCNC(=O)/C=C(/C)CC)Cc1cccc(C#N)c1 ZINC001753144044 1202161598 /nfs/dbraw/zinc/16/15/98/1202161598.db2.gz IQOZMORHOZCFME-VBKFSLOCSA-N 0 3 313.445 3.243 20 30 DGEDHN C#CCN(CCC)CCNC(=O)CC1CC(c2ccccc2)C1 ZINC001753145250 1202163079 /nfs/dbraw/zinc/16/30/79/1202163079.db2.gz AZABHBDDRINCTF-UHFFFAOYSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C=C)c1ccccc1 ZINC001700017598 1202166474 /nfs/dbraw/zinc/16/64/74/1202166474.db2.gz PWXNXRYGHPRNKK-YZGWKJHDSA-N 0 3 322.452 3.045 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC001700080274 1202174719 /nfs/dbraw/zinc/17/47/19/1202174719.db2.gz VGPHBLOUUXNGJQ-ZBFHGGJFSA-N 0 3 324.827 3.278 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cc1ccccc1C ZINC001700090587 1202177424 /nfs/dbraw/zinc/17/74/24/1202177424.db2.gz HWNSAQRFEIXFNC-UHFFFAOYSA-N 0 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CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CC ZINC001753419915 1202247887 /nfs/dbraw/zinc/24/78/87/1202247887.db2.gz JPDUDOAWIUMGHZ-HOTGVXAUSA-N 0 3 317.477 3.446 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(F)c1 ZINC001700359545 1202248157 /nfs/dbraw/zinc/24/81/57/1202248157.db2.gz PCIDUDPDIAIQBE-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001753435987 1202253778 /nfs/dbraw/zinc/25/37/78/1202253778.db2.gz CCBNNYBDNDMNEK-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001700412217 1202266089 /nfs/dbraw/zinc/26/60/89/1202266089.db2.gz BMZMPVBZSZGSSJ-OLZOCXBDSA-N 0 3 310.388 3.304 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001700412216 1202266300 /nfs/dbraw/zinc/26/63/00/1202266300.db2.gz BMZMPVBZSZGSSJ-CHWSQXEVSA-N 0 3 310.388 3.304 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001700414015 1202266617 /nfs/dbraw/zinc/26/66/17/1202266617.db2.gz OVBNJWSTOVQGKU-HOTGVXAUSA-N 0 3 316.420 3.016 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)C1CCC=CCC1 ZINC001700431660 1202271219 /nfs/dbraw/zinc/27/12/19/1202271219.db2.gz SMHZTQVWCPCBTA-QZTJIDSGSA-N 0 3 324.468 3.267 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1c(C)nsc1C ZINC001753490013 1202273122 /nfs/dbraw/zinc/27/31/22/1202273122.db2.gz OHKIDTOYKLCKCY-YOEHRIQHSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(C)CCC(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001753518655 1202281787 /nfs/dbraw/zinc/28/17/87/1202281787.db2.gz MYSFLNNSUVYMON-OAQYLSRUSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)C2CC=CC2)CCCC[C@H]1C ZINC001753532614 1202284852 /nfs/dbraw/zinc/28/48/52/1202284852.db2.gz TYRAUJJPYJOXAG-CXAGYDPISA-N 0 3 310.869 3.360 20 30 DGEDHN CCC1(C(=O)NC[C@@H](C)N(C)Cc2cccc(C#N)c2)CCC1 ZINC001700471759 1202285511 /nfs/dbraw/zinc/28/55/11/1202285511.db2.gz VROAIVIFVAROOA-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2(C3CCC3)CCC2)cc1 ZINC001753589716 1202294577 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ZINC001700564279 1202313986 /nfs/dbraw/zinc/31/39/86/1202313986.db2.gz UHGLBZOPFJZMDF-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C/C=C\Cc2ccccc2)C(C)(C)C1 ZINC001700569123 1202315178 /nfs/dbraw/zinc/31/51/78/1202315178.db2.gz XITANVIXXRJDMV-VJIACCKLSA-N 0 3 324.468 3.025 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001700634047 1202325901 /nfs/dbraw/zinc/32/59/01/1202325901.db2.gz LXAUEYBFGMEYKH-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN CCCCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001753752028 1202328778 /nfs/dbraw/zinc/32/87/78/1202328778.db2.gz YRKQUQJVOHPNSU-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN CCCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001753752027 1202329052 /nfs/dbraw/zinc/32/90/52/1202329052.db2.gz YRKQUQJVOHPNSU-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H](C)n1cccc1 ZINC001753778624 1202332450 /nfs/dbraw/zinc/33/24/50/1202332450.db2.gz ARHLOCFFFSWOLJ-CVEARBPZSA-N 0 3 323.868 3.162 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccccc1Cl ZINC001700758423 1202349463 /nfs/dbraw/zinc/34/94/63/1202349463.db2.gz BFPCIJUDFLOECB-ZDUSSCGKSA-N 0 3 308.853 3.489 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(F)c2ccccc12 ZINC001700765609 1202350737 /nfs/dbraw/zinc/35/07/37/1202350737.db2.gz BJQKACQEEDMXPQ-CQSZACIVSA-N 0 3 312.388 3.052 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2ccccc2F)C1 ZINC001700766340 1202350783 /nfs/dbraw/zinc/35/07/83/1202350783.db2.gz FYZSGKBNVOUBLD-AWEZNQCLSA-N 0 3 304.409 3.119 20 30 DGEDHN CC(C)CCCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001700767671 1202351187 /nfs/dbraw/zinc/35/11/87/1202351187.db2.gz MGXGBDXAUCHJPH-SFHVURJKSA-N 0 3 314.473 3.301 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001700840383 1202357942 /nfs/dbraw/zinc/35/79/42/1202357942.db2.gz GENDMDPMZJVQSE-HUUCEWRRSA-N 0 3 318.848 3.173 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001700865510 1202361607 /nfs/dbraw/zinc/36/16/07/1202361607.db2.gz 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C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)CC(C)C ZINC001707128882 1202574113 /nfs/dbraw/zinc/57/41/13/1202574113.db2.gz DKXYXCIFFVDDSQ-UKRRQHHQSA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[C@@H]1C ZINC001707172162 1202575265 /nfs/dbraw/zinc/57/52/65/1202575265.db2.gz AWPUZPOKJUFRJW-BFJAYTPKSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CSC(C)C)C1 ZINC001707233937 1202577363 /nfs/dbraw/zinc/57/73/63/1202577363.db2.gz WGRHRVJPDLQIJA-AWEZNQCLSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H]1C ZINC001707255676 1202578509 /nfs/dbraw/zinc/57/85/09/1202578509.db2.gz FWECNAGSLMCRPP-OLZOCXBDSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCCCCCNCc1nc2c(s1)CCN(C(=O)CC)C2 ZINC001707276630 1202580176 /nfs/dbraw/zinc/58/01/76/1202580176.db2.gz PADSJRDOZRFDQT-UHFFFAOYSA-N 0 3 321.490 3.274 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(C)o1 ZINC001707429578 1202584346 /nfs/dbraw/zinc/58/43/46/1202584346.db2.gz 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C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001713958497 1202706008 /nfs/dbraw/zinc/70/60/08/1202706008.db2.gz FOQANXHTSHADSW-GPMSIDNRSA-N 0 3 318.436 3.473 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001714017739 1202729475 /nfs/dbraw/zinc/72/94/75/1202729475.db2.gz DMKCLTGYBPHTDN-PKOBYXMFSA-N 0 3 312.457 3.126 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001714017736 1202729985 /nfs/dbraw/zinc/72/99/85/1202729985.db2.gz DMKCLTGYBPHTDN-HKUYNNGSSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001714023769 1202733917 /nfs/dbraw/zinc/73/39/17/1202733917.db2.gz MRDDUSDTHHSDAX-VYRCICMXSA-N 0 3 318.848 3.388 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(CC=C)CC=C ZINC001714143525 1202798638 /nfs/dbraw/zinc/79/86/38/1202798638.db2.gz DANHTPRCUXDQQI-RTBURBONSA-N 0 3 314.473 3.234 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CC=C)CCC1 ZINC001714146675 1202802571 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C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001714302957 1202871721 /nfs/dbraw/zinc/87/17/21/1202871721.db2.gz QZAOYGBDCOGTDR-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC[NH2+]CCc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001714419694 1202922076 /nfs/dbraw/zinc/92/20/76/1202922076.db2.gz LSTGXJGCFWLXRY-UHFFFAOYSA-N 0 3 324.424 3.030 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001714444911 1202937894 /nfs/dbraw/zinc/93/78/94/1202937894.db2.gz CLZXKTPKIPFUFO-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(Cl)cc1F ZINC001714477817 1202953900 /nfs/dbraw/zinc/95/39/00/1202953900.db2.gz PEUFJQQVVMMTAD-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1ncc(C)s1 ZINC001714486374 1202957729 /nfs/dbraw/zinc/95/77/29/1202957729.db2.gz JHGPEQXHYPBHHP-WBMJQRKESA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(Cl)cc1C ZINC001714486596 1202957770 /nfs/dbraw/zinc/95/77/70/1202957770.db2.gz MCSNURDLVLHGSW-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC001714499809 1202965291 /nfs/dbraw/zinc/96/52/91/1202965291.db2.gz ICGRVKMBENDHOT-ZFWWWQNUSA-N 0 3 308.853 3.102 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001714501389 1202965697 /nfs/dbraw/zinc/96/56/97/1202965697.db2.gz FGRQXIWADZHXAL-HNNXBMFYSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001714502165 1202966231 /nfs/dbraw/zinc/96/62/31/1202966231.db2.gz FYMFEGVBQUZPFJ-QGZVFWFLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001714550934 1202996440 /nfs/dbraw/zinc/99/64/40/1202996440.db2.gz CRIQLESEUISIES-UHFFFAOYSA-N 0 3 302.462 3.052 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C1(c2ccccc2C)CCC1 ZINC001714570553 1203011747 /nfs/dbraw/zinc/01/17/47/1203011747.db2.gz IKMFFRHRPFDGGA-UHFFFAOYSA-N 0 3 300.446 3.041 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc2ncccc2c1 ZINC001714608699 1203047153 /nfs/dbraw/zinc/04/71/53/1203047153.db2.gz ZSSRCCXYHVGLLV-SFHVURJKSA-N 0 3 323.440 3.282 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C(C)C)cc1 ZINC001714660810 1203085133 /nfs/dbraw/zinc/08/51/33/1203085133.db2.gz XRODTAOKCADSMO-UHFFFAOYSA-N 0 3 300.446 3.275 20 30 DGEDHN C=CCN(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001714672351 1203094864 /nfs/dbraw/zinc/09/48/64/1203094864.db2.gz ASQVRCNSVVGHQX-UHFFFAOYSA-N 0 3 314.473 3.293 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ncsc1C(C)C)C1CC1 ZINC001714674210 1203094876 /nfs/dbraw/zinc/09/48/76/1203094876.db2.gz MZDMVYXULCDVJX-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C(F)F)CC1)c1ccccc1 ZINC001714838011 1203146810 /nfs/dbraw/zinc/14/68/10/1203146810.db2.gz XGHNOWPHQQOTRX-AWEZNQCLSA-N 0 3 308.372 3.055 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NC[C@@H](C)OC)c1ccccc1 ZINC001714839896 1203147864 /nfs/dbraw/zinc/14/78/64/1203147864.db2.gz TWESOMLTBYBFOK-NVXWUHKLSA-N 0 3 318.461 3.071 20 30 DGEDHN CCCN(C(=O)C#CC(C)(C)C)[C@H]1CCN(CC=C(C)C)C1 ZINC001714857427 1203156884 /nfs/dbraw/zinc/15/68/84/1203156884.db2.gz VVOVGYAZZNDRFJ-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(F)cc2C)C1 ZINC001714863602 1203163091 /nfs/dbraw/zinc/16/30/91/1203163091.db2.gz UOEHLCPWXZOQRE-QGZVFWFLSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC(CN(C)C/C=C\Cl)CC2)C1 ZINC001714911936 1203195852 /nfs/dbraw/zinc/19/58/52/1203195852.db2.gz JTQQQZJCRBPHQX-DAXSKMNVSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001714969865 1203220257 /nfs/dbraw/zinc/22/02/57/1203220257.db2.gz HIGZLKVJIUGEMM-MRXNPFEDSA-N 0 3 314.473 3.399 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001714972473 1203221783 /nfs/dbraw/zinc/22/17/83/1203221783.db2.gz CPDXXQKSPNSYAF-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C#CCCN1CC(CNC(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC001714982672 1203225624 /nfs/dbraw/zinc/22/56/24/1203225624.db2.gz SQFRVBVZAHEHMP-UHFFFAOYSA-N 0 3 318.505 3.300 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccccc2C)C1 ZINC001715023270 1203241624 /nfs/dbraw/zinc/24/16/24/1203241624.db2.gz FXBSZHSAKDWJRD-ZWKOTPCHSA-N 0 3 312.457 3.045 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001715023178 1203242170 /nfs/dbraw/zinc/24/21/70/1203242170.db2.gz FKVJUAJKVVJLLB-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC001715188564 1203292354 /nfs/dbraw/zinc/29/23/54/1203292354.db2.gz GVSIOPSIEZZMCL-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)NCCC1CCN(Cc2scnc2C)CC1 ZINC001715201505 1203295057 /nfs/dbraw/zinc/29/50/57/1203295057.db2.gz VYLRTOHOESAHMX-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001715288328 1203307605 /nfs/dbraw/zinc/30/76/05/1203307605.db2.gz HRUHZWGHEOQQKK-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccccc2F)CCCC1 ZINC001715300767 1203309998 /nfs/dbraw/zinc/30/99/98/1203309998.db2.gz PLHGCODKXIMYKL-UHFFFAOYSA-N 0 3 316.420 3.148 20 30 DGEDHN CCC1(C(=O)N(C)[C@@H](C)CNCc2ccc(C#N)s2)CCC1 ZINC001715352971 1203322300 /nfs/dbraw/zinc/32/23/00/1203322300.db2.gz HSIMSHHQPKRAHF-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(C)no2)C1 ZINC001715452325 1203343373 /nfs/dbraw/zinc/34/33/73/1203343373.db2.gz AFVSDSBBNHHTIQ-JKSUJKDBSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@H](CC(C)C)c1ccccc1 ZINC001715533791 1203365048 /nfs/dbraw/zinc/36/50/48/1203365048.db2.gz PTOHURCJXRMNLT-LJQANCHMSA-N 0 3 314.473 3.230 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC001715539004 1203367401 /nfs/dbraw/zinc/36/74/01/1203367401.db2.gz GFHZIBNUXXLADG-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001715653573 1203377830 /nfs/dbraw/zinc/37/78/30/1203377830.db2.gz XLZUKTURVSPSBV-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2occc2s1 ZINC001715687662 1203381113 /nfs/dbraw/zinc/38/11/13/1203381113.db2.gz ZIDFBPRHBDMPDX-SNVBAGLBSA-N 0 3 312.822 3.345 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001715754562 1203388291 /nfs/dbraw/zinc/38/82/91/1203388291.db2.gz SHUMDFFKDJMYBW-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN C=CCC1(C(=O)NC/C=C\CNCc2ccsc2)CCC1 ZINC001715863253 1203398786 /nfs/dbraw/zinc/39/87/86/1203398786.db2.gz BZOXJNSAMLSWEB-ARJAWSKDSA-N 0 3 304.459 3.257 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CCc1ccc(C)c(Cl)c1 ZINC001715921893 1203404575 /nfs/dbraw/zinc/40/45/75/1203404575.db2.gz HSLDNNUYPNJBLL-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001715925137 1203405104 /nfs/dbraw/zinc/40/51/04/1203405104.db2.gz BPHSJGRYJBKODC-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN Cc1cc(C)cc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c1 ZINC001715958765 1203411487 /nfs/dbraw/zinc/41/14/87/1203411487.db2.gz VDCWNWDCBWVISM-GOSISDBHSA-N 0 3 320.436 3.063 20 30 DGEDHN CCCC[C@@H](CC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001715966566 1203413122 /nfs/dbraw/zinc/41/31/22/1203413122.db2.gz LSZBBIIDEJHBJN-PKOBYXMFSA-N 0 3 314.473 3.349 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CCC1CCC1 ZINC001716013084 1203422274 /nfs/dbraw/zinc/42/22/74/1203422274.db2.gz GRKZKJPPHLAVRJ-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCC1(C(=O)N(C)CCN(C)CC=C(C)C)CCCCC1 ZINC001716024497 1203427316 /nfs/dbraw/zinc/42/73/16/1203427316.db2.gz NQEIBQSVIRVNGM-UHFFFAOYSA-N 0 3 304.478 3.317 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)C#CC(C)(C)C ZINC001716027200 1203427595 /nfs/dbraw/zinc/42/75/95/1203427595.db2.gz HBDAFXWJTFCYKQ-AWEZNQCLSA-N 0 3 320.864 3.326 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCOc1ccc(C)cc1 ZINC001716032779 1203429923 /nfs/dbraw/zinc/42/99/23/1203429923.db2.gz BQDDNXMNRVZCCB-INIZCTEOSA-N 0 3 318.461 3.023 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001716034875 1203430522 /nfs/dbraw/zinc/43/05/22/1203430522.db2.gz MTWMBYIPIVEZPO-OBHDYHNASA-N 0 3 311.429 3.017 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001716174228 1203445924 /nfs/dbraw/zinc/44/59/24/1203445924.db2.gz OBLWDTFYBWCDHY-RYUDHWBXSA-N 0 3 300.855 3.089 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H]1CCc2ccccc21 ZINC001716182263 1203447001 /nfs/dbraw/zinc/44/70/01/1203447001.db2.gz BPXFXGNUDATXNF-GOEBONIOSA-N 0 3 320.864 3.343 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)CCC1CCC1 ZINC001716212233 1203449973 /nfs/dbraw/zinc/44/99/73/1203449973.db2.gz ZYEOMBARHPMLDZ-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN CCN(CCNCc1ccc(Cl)c(F)c1)C(=O)C#CC(C)C ZINC001716216258 1203450304 /nfs/dbraw/zinc/45/03/04/1203450304.db2.gz WDAFKBCYPMGABD-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001716239115 1203452685 /nfs/dbraw/zinc/45/26/85/1203452685.db2.gz AWMHBWCAEZLLOV-KRWDZBQOSA-N 0 3 314.473 3.204 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001716253338 1203454067 /nfs/dbraw/zinc/45/40/67/1203454067.db2.gz RDRREMNABZTUAZ-HZPDHXFCSA-N 0 3 315.461 3.179 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1CCCCCC1 ZINC001716431281 1203472842 /nfs/dbraw/zinc/47/28/42/1203472842.db2.gz LIOSVNAUKMOELB-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN[C@@H](C)c1cccc(Cl)c1F ZINC001716434708 1203473393 /nfs/dbraw/zinc/47/33/93/1203473393.db2.gz JILKLOOSUZCKEN-STQMWFEESA-N 0 3 324.827 3.438 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001716447371 1203475488 /nfs/dbraw/zinc/47/54/88/1203475488.db2.gz DPCUDECNINLVTM-AWEZNQCLSA-N 0 3 306.425 3.331 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C(F)F)cc1 ZINC001716479239 1203485392 /nfs/dbraw/zinc/48/53/92/1203485392.db2.gz UWONANCRRYYBCS-AWEZNQCLSA-N 0 3 322.399 3.364 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001716564870 1203502927 /nfs/dbraw/zinc/50/29/27/1203502927.db2.gz MRIQORCXARMYBC-UHFFFAOYSA-N 0 3 315.244 3.453 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2cccnc2c1 ZINC001716573776 1203503505 /nfs/dbraw/zinc/50/35/05/1203503505.db2.gz KLRVIZOURXSEHF-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001716664820 1203518692 /nfs/dbraw/zinc/51/86/92/1203518692.db2.gz ZPEUOSQTPIYSLT-KGLIPLIRSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001716667853 1203520563 /nfs/dbraw/zinc/52/05/63/1203520563.db2.gz IKWGESJCDPDANT-GOSISDBHSA-N 0 3 314.473 3.429 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001716691133 1203525533 /nfs/dbraw/zinc/52/55/33/1203525533.db2.gz BXHZOXZDJUNFFI-MRXNPFEDSA-N 0 3 315.461 3.039 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCCC ZINC001716709208 1203529759 /nfs/dbraw/zinc/52/97/59/1203529759.db2.gz LTTBROACBOQOOC-KURKYZTESA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001716726413 1203533039 /nfs/dbraw/zinc/53/30/39/1203533039.db2.gz KCMRGNLHXHDPHX-MRXNPFEDSA-N 0 3 310.457 3.405 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC=CCC1)C1CCN(CC=C(C)C)CC1 ZINC001716802774 1203545119 /nfs/dbraw/zinc/54/51/19/1203545119.db2.gz NRWBHVZRIBKLIM-GOSISDBHSA-N 0 3 314.473 3.235 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)CCCC)C1CCN(CC(=C)C)CC1 ZINC001716805684 1203545567 /nfs/dbraw/zinc/54/55/67/1203545567.db2.gz XRGCHQJVWZVQNQ-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCC[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001716815590 1203547128 /nfs/dbraw/zinc/54/71/28/1203547128.db2.gz XLGIZJQNLHSHHU-KRWDZBQOSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC001716873521 1203559454 /nfs/dbraw/zinc/55/94/54/1203559454.db2.gz UJSUOSJAHIENBE-IRXDYDNUSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCC[NH+]1CCC(C)(CNC(=O)c2ccccc2[O-])CC1 ZINC001716881694 1203560355 /nfs/dbraw/zinc/56/03/55/1203560355.db2.gz GMUYYUHAXLLCTG-UHFFFAOYSA-N 0 3 316.445 3.190 20 30 DGEDHN C=C(C)CCC(=O)NCC1(C)CCN(Cc2ocnc2C)CC1 ZINC001716885601 1203561614 /nfs/dbraw/zinc/56/16/14/1203561614.db2.gz XKQQARFGQGZXLG-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccccc2CC)C1 ZINC001716898553 1203565585 /nfs/dbraw/zinc/56/55/85/1203565585.db2.gz XVIGLSSYDRAKSM-IBGZPJMESA-N 0 3 300.446 3.267 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)cccc2F)C1 ZINC001716903038 1203566839 /nfs/dbraw/zinc/56/68/39/1203566839.db2.gz VLDONRRUEGUAKQ-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C2CCN(CC#CC)CC2)C1 ZINC001716952780 1203569200 /nfs/dbraw/zinc/56/92/00/1203569200.db2.gz LPHXJHWSURQEGS-IBGZPJMESA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC001717012696 1203577747 /nfs/dbraw/zinc/57/77/47/1203577747.db2.gz SUIGFMRYPRGLBQ-CALCHBBNSA-N 0 3 316.420 3.072 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001717103541 1203584997 /nfs/dbraw/zinc/58/49/97/1203584997.db2.gz FRIKCXOCCMLSEH-LSDHHAIUSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001717113826 1203585824 /nfs/dbraw/zinc/58/58/24/1203585824.db2.gz PRRXXJYRRLQGEG-UWVAXJGDSA-N 0 3 324.468 3.194 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cc(C)c(C)o1 ZINC001717112513 1203586135 /nfs/dbraw/zinc/58/61/35/1203586135.db2.gz IAIJQLYGFJPNFZ-UHFFFAOYSA-N 0 3 324.424 3.282 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](CC)SC)cc1 ZINC001717115504 1203586540 /nfs/dbraw/zinc/58/65/40/1203586540.db2.gz NDPDSWOROAIADL-RHSMWYFYSA-N 0 3 318.486 3.118 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC=CCC1 ZINC001717114198 1203586581 /nfs/dbraw/zinc/58/65/81/1203586581.db2.gz ZPXCVIUUEJJABA-QGZVFWFLSA-N 0 3 310.441 3.114 20 30 DGEDHN CCC(=O)NCc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC001717117464 1203586883 /nfs/dbraw/zinc/58/68/83/1203586883.db2.gz TXTILRSPCPMFQP-HNNXBMFYSA-N 0 3 321.424 3.435 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C)cc2F)cc1 ZINC001717117048 1203586963 /nfs/dbraw/zinc/58/69/63/1203586963.db2.gz ZCCZODFXJUZFFA-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cncc(C)c2)CCC1 ZINC001717151556 1203591786 /nfs/dbraw/zinc/59/17/86/1203591786.db2.gz TYXLDEWIGVOYQA-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ncccc2C)CCC1 ZINC001717154807 1203592318 /nfs/dbraw/zinc/59/23/18/1203592318.db2.gz NYNHBCJZHSNZAN-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H](C)CCC=C(C)C)CCC1 ZINC001717157879 1203593009 /nfs/dbraw/zinc/59/30/09/1203593009.db2.gz YRXLHFKLVULLQH-QGZVFWFLSA-N 0 3 304.478 3.411 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)CCC1 ZINC001717161950 1203594009 /nfs/dbraw/zinc/59/40/09/1203594009.db2.gz FDZVZGCYRHJQDY-AEFFLSMTSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC001717196585 1203597642 /nfs/dbraw/zinc/59/76/42/1203597642.db2.gz HDFHOEJWKAZHKB-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001717198527 1203598525 /nfs/dbraw/zinc/59/85/25/1203598525.db2.gz UAHHRUZYPVTWMR-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(CC(C)C)cc1 ZINC001717214755 1203604950 /nfs/dbraw/zinc/60/49/50/1203604950.db2.gz JXGKSGVSKYLRJX-UHFFFAOYSA-N 0 3 314.473 3.302 20 30 DGEDHN C=CCCC(=O)N1CCC(C)(NCc2c(F)cccc2F)CC1 ZINC001717296107 1203614113 /nfs/dbraw/zinc/61/41/13/1203614113.db2.gz VHYLGSAGSGSDSJ-UHFFFAOYSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001717337945 1203621133 /nfs/dbraw/zinc/62/11/33/1203621133.db2.gz OAEFXFDTVMGVLS-UKRRQHHQSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2cnccc21 ZINC001717342875 1203622472 /nfs/dbraw/zinc/62/24/72/1203622472.db2.gz YJUYRDMOQXASBO-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001717344011 1203622942 /nfs/dbraw/zinc/62/29/42/1203622942.db2.gz GWFZELSNVXPLFZ-SNRMKQJTSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)c1ccccc1 ZINC001717376638 1203631543 /nfs/dbraw/zinc/63/15/43/1203631543.db2.gz VFHGTSVGKHZISR-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001717394592 1203634311 /nfs/dbraw/zinc/63/43/11/1203634311.db2.gz QXCULARSWCIPIR-FHERZECASA-N 0 3 320.864 3.335 20 30 DGEDHN C=CCCC(=O)N(C)CC(C)(C)CNCc1nc(C)c(C)s1 ZINC001717451760 1203647609 /nfs/dbraw/zinc/64/76/09/1203647609.db2.gz ZWXRXBXGVPGHJE-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(CF)cc1 ZINC001717474744 1203656280 /nfs/dbraw/zinc/65/62/80/1203656280.db2.gz SIMJIOZYZSEYAA-OAHLLOKOSA-N 0 3 306.425 3.449 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(Cl)cc1Cl ZINC001717496888 1203666091 /nfs/dbraw/zinc/66/60/91/1203666091.db2.gz SJQBVGDUNZJCHH-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)/C=C/c2ccco2)CCCCC1 ZINC001717520592 1203670350 /nfs/dbraw/zinc/67/03/50/1203670350.db2.gz UFDLZAQNZXHZOE-BQYQJAHWSA-N 0 3 322.836 3.454 20 30 DGEDHN C=C[C@H](C(=O)NC1(CNCCF)CCCCC1)c1ccccc1 ZINC001717528486 1203672325 /nfs/dbraw/zinc/67/23/25/1203672325.db2.gz ZNPUCUHKCKBXCQ-KRWDZBQOSA-N 0 3 318.436 3.334 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001717550912 1203680002 /nfs/dbraw/zinc/68/00/02/1203680002.db2.gz IWTVXUSQWYIFGP-CQSZACIVSA-N 0 3 320.502 3.329 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001717580034 1203685205 /nfs/dbraw/zinc/68/52/05/1203685205.db2.gz MWGVAHQYFMODHA-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001717646147 1203693589 /nfs/dbraw/zinc/69/35/89/1203693589.db2.gz AHRBVXPRAGXFLX-AULYBMBSSA-N 0 3 308.809 3.008 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001717650932 1203694468 /nfs/dbraw/zinc/69/44/68/1203694468.db2.gz KCKPLBCIVXLINC-BPLDGKMQSA-N 0 3 300.874 3.296 20 30 DGEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)C1CCCC1 ZINC001717656218 1203695138 /nfs/dbraw/zinc/69/51/38/1203695138.db2.gz VORSAIKMDMKZIZ-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001717686324 1203698965 /nfs/dbraw/zinc/69/89/65/1203698965.db2.gz ZQVSFLJTLCJXTR-ZDUSSCGKSA-N 0 3 319.836 3.409 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1cccc(Cl)n1)C1CC1 ZINC001717728003 1203705863 /nfs/dbraw/zinc/70/58/63/1203705863.db2.gz FWOIQWMLOFXCKQ-HNNXBMFYSA-N 0 3 321.852 3.028 20 30 DGEDHN CCC1(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)CCC1 ZINC001717737247 1203707024 /nfs/dbraw/zinc/70/70/24/1203707024.db2.gz AUZZZPDVZDUULX-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)CCCCCC)CCC[C@@H]12 ZINC001717839189 1203719470 /nfs/dbraw/zinc/71/94/70/1203719470.db2.gz DCQXPUZCEVCMKO-ZHALLVOQSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(F)cc1Cl)C(C)C ZINC001717952199 1203734370 /nfs/dbraw/zinc/73/43/70/1203734370.db2.gz RTDXUVIEMHHYMW-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](C)C(CC)CC)CC2)CC1 ZINC001718003814 1203742947 /nfs/dbraw/zinc/74/29/47/1203742947.db2.gz RPGXJWLANRRHNQ-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001718031279 1203744786 /nfs/dbraw/zinc/74/47/86/1203744786.db2.gz OFFPEPKFWGNIKO-QGZVFWFLSA-N 0 3 308.441 3.229 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC001752993427 1203948354 /nfs/dbraw/zinc/94/83/54/1203948354.db2.gz GMSVSIGEFOWKFT-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN CCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1ccccc1C#N ZINC001722925292 1203952036 /nfs/dbraw/zinc/95/20/36/1203952036.db2.gz BYWBSUFUQQJPGY-MSOLQXFVSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001723454177 1203973898 /nfs/dbraw/zinc/97/38/98/1203973898.db2.gz WKVCRCXNOCBIBB-QGZVFWFLSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001723463315 1203975471 /nfs/dbraw/zinc/97/54/71/1203975471.db2.gz ZGPMPWIXRHEISF-QZTJIDSGSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)C(C)C ZINC001723463314 1203975686 /nfs/dbraw/zinc/97/56/86/1203975686.db2.gz ZGPMPWIXRHEISF-MSOLQXFVSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001723473221 1203977036 /nfs/dbraw/zinc/97/70/36/1203977036.db2.gz KQPOBFJKXHUIHY-OCCSQVGLSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1c(C)oc2ccccc21 ZINC001723481502 1203977282 /nfs/dbraw/zinc/97/72/82/1203977282.db2.gz CORAPISOODUWGT-HNNXBMFYSA-N 0 3 312.413 3.050 20 30 DGEDHN C#CCCCCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001723509847 1203979883 /nfs/dbraw/zinc/97/98/83/1203979883.db2.gz NEUJGTMTFZATKE-OAHLLOKOSA-N 0 3 316.420 3.319 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001723647831 1203986869 /nfs/dbraw/zinc/98/68/69/1203986869.db2.gz UIWPBVMHJBLKLV-PQMHYQBVSA-N 0 3 310.869 3.408 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@](C)(F)CCCC)C2)CC1 ZINC001723698587 1203988865 /nfs/dbraw/zinc/98/88/65/1203988865.db2.gz QEVAZWLJWQXTJS-SFHVURJKSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001723740203 1203991365 /nfs/dbraw/zinc/99/13/65/1203991365.db2.gz FJCMQMOCCOWXFT-PKOBYXMFSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CCCCN(C(=O)CCCC(C)=O)C2 ZINC001724122791 1204006082 /nfs/dbraw/zinc/00/60/82/1204006082.db2.gz RUEZYQHSLQENQN-IBGZPJMESA-N 0 3 320.477 3.026 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)/C=C(\C)CC)C2 ZINC001724125061 1204006458 /nfs/dbraw/zinc/00/64/58/1204006458.db2.gz ACGNRHRRESDBDI-FLXZHSAZSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#CC)CCCC1 ZINC001724123446 1204006527 /nfs/dbraw/zinc/00/65/27/1204006527.db2.gz XZTHIULDZXGJDR-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001724302831 1204019096 /nfs/dbraw/zinc/01/90/96/1204019096.db2.gz OVROLYRAZONHCE-INIZCTEOSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CN(CCCF)CCC1(F)F ZINC001724381254 1204025868 /nfs/dbraw/zinc/02/58/68/1204025868.db2.gz UDWZIEWICJSQDW-ZDUSSCGKSA-N 0 3 320.399 3.022 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001724609461 1204032604 /nfs/dbraw/zinc/03/26/04/1204032604.db2.gz YAWDEKWSCJWFKG-KGKZPBIOSA-N 0 3 319.276 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001724704462 1204038811 /nfs/dbraw/zinc/03/88/11/1204038811.db2.gz GLHHBRYAVFRFEP-WBVHZDCISA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001724705757 1204038944 /nfs/dbraw/zinc/03/89/44/1204038944.db2.gz UTVMXHQRLYUQHV-HNNXBMFYSA-N 0 3 310.869 3.458 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC001724740521 1204041829 /nfs/dbraw/zinc/04/18/29/1204041829.db2.gz IOSIJWPFCPVEBR-AWEZNQCLSA-N 0 3 310.372 3.040 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2CCC)cc1 ZINC001724743565 1204042745 /nfs/dbraw/zinc/04/27/45/1204042745.db2.gz FHMJVLWPBPRSLI-KFKAGJAMSA-N 0 3 312.457 3.413 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C\CC)C1 ZINC001724865103 1204060919 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CC(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001725100659 1204094284 /nfs/dbraw/zinc/09/42/84/1204094284.db2.gz ZDZDOWIMCKFNDM-STQMWFEESA-N 0 3 321.490 3.285 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NCc2scnc2C)CC1 ZINC001725105411 1204095473 /nfs/dbraw/zinc/09/54/73/1204095473.db2.gz FVQAIQFEZHZGNN-CHWSQXEVSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1scnc1C ZINC001725108556 1204096556 /nfs/dbraw/zinc/09/65/56/1204096556.db2.gz MWMRWWLVNQWVQA-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001725116370 1204097783 /nfs/dbraw/zinc/09/77/83/1204097783.db2.gz RRWHGQKMHLUYFW-STQMWFEESA-N 0 3 309.841 3.074 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001725130881 1204100165 /nfs/dbraw/zinc/10/01/65/1204100165.db2.gz JOCKIJXLBVPXBE-VXGBXAGGSA-N 0 3 310.388 3.160 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC[C@@H](NCc1ccon1)C(C)C ZINC001725210380 1204119518 /nfs/dbraw/zinc/11/95/18/1204119518.db2.gz FGJNMSULFVEKRJ-MRXNPFEDSA-N 0 3 321.465 3.240 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccco1 ZINC001725238339 1204124768 /nfs/dbraw/zinc/12/47/68/1204124768.db2.gz HBMNXUGPNSMSGI-IAGOWNOFSA-N 0 3 316.445 3.157 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001725250911 1204128249 /nfs/dbraw/zinc/12/82/49/1204128249.db2.gz NYBZBHZZPULWOR-DLBZAZTESA-N 0 3 312.457 3.378 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CCCCCC(C)C)C(C)(C)C1 ZINC001725292433 1204134727 /nfs/dbraw/zinc/13/47/27/1204134727.db2.gz XVXCCIPEICGWBL-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(CC)CC)C[C@@H]2C1 ZINC001725327091 1204137049 /nfs/dbraw/zinc/13/70/49/1204137049.db2.gz APKBBKQDEPRBAX-XHSDSOJGSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001725339334 1204138633 /nfs/dbraw/zinc/13/86/33/1204138633.db2.gz SOQSNSHORJDLGH-OWCLPIDISA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H](CNCC(=C)Cl)C2)CCCC1 ZINC001725368623 1204141673 /nfs/dbraw/zinc/14/16/73/1204141673.db2.gz HOQACDFBGNHCBB-SHTZXODSSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(F)cc1)CC2 ZINC001725583507 1204172269 /nfs/dbraw/zinc/17/22/69/1204172269.db2.gz BBFYEDFEAZNFRR-IEBWSBKVSA-N 0 3 316.420 3.405 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001725592031 1204174196 /nfs/dbraw/zinc/17/41/96/1204174196.db2.gz LYIPHUKTFTXKSQ-LJJUJYJISA-N 0 3 310.441 3.001 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001725594513 1204174816 /nfs/dbraw/zinc/17/48/16/1204174816.db2.gz XXGLYEAKBXJTDY-GOEBONIOSA-N 0 3 312.413 3.478 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001725594516 1204175135 /nfs/dbraw/zinc/17/51/35/1204175135.db2.gz XXGLYEAKBXJTDY-HOCLYGCPSA-N 0 3 312.413 3.478 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cc(C)cc(C)c2)[C@@H]1C ZINC001725617908 1204181352 /nfs/dbraw/zinc/18/13/52/1204181352.db2.gz CZLACKNZFFHRPI-HKUYNNGSSA-N 0 3 314.473 3.391 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CC)CCCCC)CCC[C@@H]12 ZINC001725645296 1204190464 /nfs/dbraw/zinc/19/04/64/1204190464.db2.gz ZQFZFPMKJHAWDL-ZHALLVOQSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)C(C)C ZINC001725731617 1204204478 /nfs/dbraw/zinc/20/44/78/1204204478.db2.gz FCMUYIWUTRHTTG-SJORKVTESA-N 0 3 310.482 3.079 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)C(C)C ZINC001725733162 1204205791 /nfs/dbraw/zinc/20/57/91/1204205791.db2.gz POHXKHAONAYVFB-MRXNPFEDSA-N 0 3 320.452 3.359 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cnoc1C)C(C)(C)C ZINC001725743572 1204209942 /nfs/dbraw/zinc/20/99/42/1204209942.db2.gz HPPZKUGXXOIIEA-HNNXBMFYSA-N 0 3 321.465 3.206 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1cccnc1)C1CC1 ZINC001731335274 1204376188 /nfs/dbraw/zinc/37/61/88/1204376188.db2.gz ABOAQUBSOGHHGV-UHFFFAOYSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001731354875 1204383894 /nfs/dbraw/zinc/38/38/94/1204383894.db2.gz DCCRVHFKSYHDOH-ZDUSSCGKSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)c(C)o2)CC1 ZINC001731385128 1204390606 /nfs/dbraw/zinc/39/06/06/1204390606.db2.gz ZTZLSUXDOBPNSZ-UHFFFAOYSA-N 0 3 304.434 3.399 20 30 DGEDHN CC1(CC(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001731475634 1204425680 /nfs/dbraw/zinc/42/56/80/1204425680.db2.gz FSFDWPTWEUUYIF-KDURUIRLSA-N 0 3 324.468 3.245 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001731482653 1204426920 /nfs/dbraw/zinc/42/69/20/1204426920.db2.gz FREUPQQRDYRXGM-CALCHBBNSA-N 0 3 316.420 3.065 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001731498567 1204434389 /nfs/dbraw/zinc/43/43/89/1204434389.db2.gz NSMQNZYODOGIGL-SSVWKNEZSA-N 0 3 312.457 3.494 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001731506324 1204437927 /nfs/dbraw/zinc/43/79/27/1204437927.db2.gz BIBAYKFKICOQER-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001731507819 1204438088 /nfs/dbraw/zinc/43/80/88/1204438088.db2.gz GWYDUWHCESSLBZ-ZWKOTPCHSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(C)cc1Cl ZINC001731536672 1204448250 /nfs/dbraw/zinc/44/82/50/1204448250.db2.gz FKFYREDYRKPNAT-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001731612275 1204481867 /nfs/dbraw/zinc/48/18/67/1204481867.db2.gz UXPYWLIVBVVLKM-JTQLQIEISA-N 0 3 300.855 3.208 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001731690169 1204506289 /nfs/dbraw/zinc/50/62/89/1204506289.db2.gz NVSWLJSKKCWZBD-ZWKOTPCHSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2c(F)cccc2F)C1 ZINC001731692311 1204507221 /nfs/dbraw/zinc/50/72/21/1204507221.db2.gz UPIAWZYIJCDBFH-KGLIPLIRSA-N 0 3 322.399 3.448 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1occc1C ZINC001731743119 1204532805 /nfs/dbraw/zinc/53/28/05/1204532805.db2.gz QVQZYVATYAZRPX-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001731768323 1204545532 /nfs/dbraw/zinc/54/55/32/1204545532.db2.gz GNCFAIIHHWIVFR-AWEZNQCLSA-N 0 3 306.837 3.253 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)CCc1ccccc1F ZINC001731808618 1204574366 /nfs/dbraw/zinc/57/43/66/1204574366.db2.gz KXUMQJFBKFDBGC-UHFFFAOYSA-N 0 3 320.452 3.409 20 30 DGEDHN CCCN(CCNC(=O)/C=C(\C)CC)Cc1ccc(C#N)cc1 ZINC001731863718 1204608244 /nfs/dbraw/zinc/60/82/44/1204608244.db2.gz MBWQPUDVBMGMBI-DTQAZKPQSA-N 0 3 313.445 3.243 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cc(C)cc(C)c1)C1CC1 ZINC001731881153 1204621736 /nfs/dbraw/zinc/62/17/36/1204621736.db2.gz YZXMSCCFZKMGPK-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)Cc1ccc(C)o1)c1ccccc1 ZINC001732018940 1204650940 /nfs/dbraw/zinc/65/09/40/1204650940.db2.gz DNCYGDDWUQBGEJ-GOSISDBHSA-N 0 3 312.413 3.154 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1nc(C)c(C)s1)c1ccccc1 ZINC001732027237 1204653946 /nfs/dbraw/zinc/65/39/46/1204653946.db2.gz RCMYEKYDCFUHJC-HNNXBMFYSA-N 0 3 315.442 3.007 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC(F)(F)C1 ZINC001732028067 1204655031 /nfs/dbraw/zinc/65/50/31/1204655031.db2.gz FIYASTIQEVVYSG-GASCZTMLSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1cccs1 ZINC001732032382 1204655661 /nfs/dbraw/zinc/65/56/61/1204655661.db2.gz LIKVRFXSLRYXPX-IYBDPMFKSA-N 0 3 318.486 3.322 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(CCCF)C2)CC1 ZINC001732078458 1204683073 /nfs/dbraw/zinc/68/30/73/1204683073.db2.gz SOLVAPLSZFCZHY-KRWDZBQOSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001732158747 1204719684 /nfs/dbraw/zinc/71/96/84/1204719684.db2.gz PZSRMDYWSMOZGC-IBGZPJMESA-N 0 3 312.457 3.174 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001732176326 1204730877 /nfs/dbraw/zinc/73/08/77/1204730877.db2.gz SOYVJBUBYLOYJY-HKUYNNGSSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001732187071 1204738027 /nfs/dbraw/zinc/73/80/27/1204738027.db2.gz WZDPCALNLCBHBB-HZPDHXFCSA-N 0 3 304.434 3.272 20 30 DGEDHN CCCCC(=O)NC[C@H](CC)NCC#Cc1ccccc1Cl ZINC001732191704 1204742631 /nfs/dbraw/zinc/74/26/31/1204742631.db2.gz LQPAKPNPKFEAIH-INIZCTEOSA-N 0 3 320.864 3.366 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001732265228 1204775535 /nfs/dbraw/zinc/77/55/35/1204775535.db2.gz KMTJDFCMHSFRTH-AWEZNQCLSA-N 0 3 318.914 3.099 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC001732269602 1204777277 /nfs/dbraw/zinc/77/72/77/1204777277.db2.gz NFCPFSITVKXDSY-HNNXBMFYSA-N 0 3 324.852 3.183 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2c(C)oc(C)c2C)cc1 ZINC001732317518 1204789791 /nfs/dbraw/zinc/78/97/91/1204789791.db2.gz KVZFIFMBDHEUKG-UHFFFAOYSA-N 0 3 324.424 3.248 20 30 DGEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)/C=C\C(C)(C)C ZINC001732336111 1204796968 /nfs/dbraw/zinc/79/69/68/1204796968.db2.gz CPPSRNRAGMQAPM-FJVVXJACSA-N 0 3 313.445 3.002 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)CN[C@H](C)c1c(F)cccc1F ZINC001732338709 1204798022 /nfs/dbraw/zinc/79/80/22/1204798022.db2.gz KFGCIPHNOBFOIG-ZIAGYGMSSA-N 0 3 322.399 3.171 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@@H](F)C2)CCCC1 ZINC001732392267 1204815825 /nfs/dbraw/zinc/81/58/25/1204815825.db2.gz IFYHCGHXZTZLDZ-UONOGXRCSA-N 0 3 316.848 3.286 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cncs2)CCCC1 ZINC001732394861 1204817830 /nfs/dbraw/zinc/81/78/30/1204817830.db2.gz BTSXNFKCSJISEV-INIZCTEOSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001732410041 1204827261 /nfs/dbraw/zinc/82/72/61/1204827261.db2.gz SSTACMOZOKPGSC-HNNXBMFYSA-N 0 3 318.848 3.094 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(C)C ZINC001732559199 1204895922 /nfs/dbraw/zinc/89/59/22/1204895922.db2.gz PAAQPWWSFIDVBO-QXSJWSMHSA-N 0 3 310.869 3.072 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(C)C ZINC001732561688 1204897057 /nfs/dbraw/zinc/89/70/57/1204897057.db2.gz GYOUANMHAYRURA-CAOSSQGBSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2ccccc2F)C(C)C)C1 ZINC001732565229 1204898859 /nfs/dbraw/zinc/89/88/59/1204898859.db2.gz BZWRRNGXAWHMAC-QGZVFWFLSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](F)c1ccccc1)C(C)C ZINC001732569984 1204901036 /nfs/dbraw/zinc/90/10/36/1204901036.db2.gz RCQMJLQTWAIZPH-GJZGRUSLSA-N 0 3 312.816 3.180 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)cc1C)C(C)C ZINC001732572436 1204901558 /nfs/dbraw/zinc/90/15/58/1204901558.db2.gz RGYYAPKNNHUFPD-INIZCTEOSA-N 0 3 308.853 3.400 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001732595949 1204915957 /nfs/dbraw/zinc/91/59/57/1204915957.db2.gz XGBOCMJMNBJFHX-LBPRGKRZSA-N 0 3 314.882 3.471 20 30 DGEDHN C=CC[C@H](C(=O)N(C)CCN(C)CC(=C)C)c1ccccc1 ZINC001732597924 1204917065 /nfs/dbraw/zinc/91/70/65/1204917065.db2.gz SAUIAQYADPGIGL-SFHVURJKSA-N 0 3 300.446 3.313 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001732729002 1204934969 /nfs/dbraw/zinc/93/49/69/1204934969.db2.gz PYAZCYMOABKSEZ-RYUDHWBXSA-N 0 3 300.855 3.089 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)CCNCc1ccc(F)cc1 ZINC001732776397 1204942215 /nfs/dbraw/zinc/94/22/15/1204942215.db2.gz HHMGFRBDSWKETN-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2cc(C)sc2C)C1 ZINC001732898890 1204956900 /nfs/dbraw/zinc/95/69/00/1204956900.db2.gz ZXMLZWCYDUEEHT-AATRIKPKSA-N 0 3 318.486 3.483 20 30 DGEDHN CCC[C@](C)(CC)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001732976942 1204970574 /nfs/dbraw/zinc/97/05/74/1204970574.db2.gz LGMNGPBWSCDMDC-XLIONFOSSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccc(Cl)c(F)c2)C1 ZINC001733011149 1204980760 /nfs/dbraw/zinc/98/07/60/1204980760.db2.gz NEUZBRKSHHTRRF-LBPRGKRZSA-N 0 3 324.827 3.430 20 30 DGEDHN Cc1ccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)cc1C ZINC001733022183 1204983955 /nfs/dbraw/zinc/98/39/55/1204983955.db2.gz FMBDXHUCHCZQSU-SFHVURJKSA-N 0 3 320.436 3.063 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733035804 1204992437 /nfs/dbraw/zinc/99/24/37/1204992437.db2.gz NPLALFAGDJYNIE-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1(C)CCCC1 ZINC001733047515 1204999559 /nfs/dbraw/zinc/99/95/59/1204999559.db2.gz AVFBHFLBSBOSAN-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2c(s1)CCCCC2 ZINC001733063784 1205013272 /nfs/dbraw/zinc/01/32/72/1205013272.db2.gz RJKGHDHIOGVSNW-CYBMUJFWSA-N 0 3 306.475 3.253 20 30 DGEDHN C#CCCCC(=O)N(C)CCCNCc1c(F)cccc1Cl ZINC001733095641 1205023235 /nfs/dbraw/zinc/02/32/35/1205023235.db2.gz MQMCYYWALLIMKP-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)C(C)(C)CCC ZINC001733123834 1205026290 /nfs/dbraw/zinc/02/62/90/1205026290.db2.gz JEMQUSJAXDOGFP-UHFFFAOYSA-N 0 3 319.287 3.159 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001733212023 1205047197 /nfs/dbraw/zinc/04/71/97/1205047197.db2.gz SCVJJMXBOFYAGJ-BZUAXINKSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001733214320 1205047363 /nfs/dbraw/zinc/04/73/63/1205047363.db2.gz RBZCVPHJQYSXDE-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001733222767 1205051856 /nfs/dbraw/zinc/05/18/56/1205051856.db2.gz ZYJZJCBAPRZJLO-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001733222766 1205052406 /nfs/dbraw/zinc/05/24/06/1205052406.db2.gz ZYJZJCBAPRZJLO-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C(CCC)CCC)C2)CC1 ZINC001733293200 1205085955 /nfs/dbraw/zinc/08/59/55/1205085955.db2.gz PZVSVQLHQCLPQE-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001733297524 1205087065 /nfs/dbraw/zinc/08/70/65/1205087065.db2.gz PQBLEVXJHFCAKA-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN O=C(CCC1CCC1)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001733338085 1205099107 /nfs/dbraw/zinc/09/91/07/1205099107.db2.gz IDTRUJBGAXJDQR-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@H](C)c2cccc(F)c2)CC1 ZINC001733359697 1205105531 /nfs/dbraw/zinc/10/55/31/1205105531.db2.gz DOZYPEOPGLSFPN-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC12CCCC2)C1CCN(CC(=C)C)CC1 ZINC001733373846 1205108488 /nfs/dbraw/zinc/10/84/88/1205108488.db2.gz LHFUAWWSQPNUBK-SFHVURJKSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCNC[C@H](NC(=O)CCCC)c1ccc2ccccc2c1 ZINC001733374418 1205108521 /nfs/dbraw/zinc/10/85/21/1205108521.db2.gz DMAIGZSPUJMXIM-IBGZPJMESA-N 0 3 308.425 3.410 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001733404901 1205120888 /nfs/dbraw/zinc/12/08/88/1205120888.db2.gz SIOQVSDAIJFWPB-IEBWSBKVSA-N 0 3 322.493 3.271 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001733415252 1205125719 /nfs/dbraw/zinc/12/57/19/1205125719.db2.gz DJQJUUQWBPGMJM-IBGZPJMESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCC(=O)NCC1(C)CCN(Cc2scnc2C)CC1 ZINC001733446423 1205135340 /nfs/dbraw/zinc/13/53/40/1205135340.db2.gz NHVQHPGEZJFQNU-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001733464008 1205145040 /nfs/dbraw/zinc/14/50/40/1205145040.db2.gz SCDXATMCCIIXJP-BMFAXAFESA-N 0 3 304.478 3.217 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001733463997 1205145481 /nfs/dbraw/zinc/14/54/81/1205145481.db2.gz RWAGIBHBHYTXHP-SFHVURJKSA-N 0 3 322.399 3.291 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001733469576 1205147308 /nfs/dbraw/zinc/14/73/08/1205147308.db2.gz XONAQNKSPZJIMD-SMRJSYMMSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@H](C)NCc2csc(C)n2)C1 ZINC001733525173 1205154741 /nfs/dbraw/zinc/15/47/41/1205154741.db2.gz BQEFCEPDTLDGLE-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001733661095 1205178178 /nfs/dbraw/zinc/17/81/78/1205178178.db2.gz NNGFYOMZBXSXJO-GJZGRUSLSA-N 0 3 312.885 3.393 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)c2ccc(C)o2)cc1 ZINC001733685169 1205184676 /nfs/dbraw/zinc/18/46/76/1205184676.db2.gz WBDRYDIEGUTWOR-HOTGVXAUSA-N 0 3 324.424 3.292 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC2CC(C)(C)C2)cc1 ZINC001733685243 1205184769 /nfs/dbraw/zinc/18/47/69/1205184769.db2.gz WUQHEQFPLVPYJP-HNNXBMFYSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2CC3(CCC3)C2)cc1 ZINC001733685034 1205184793 /nfs/dbraw/zinc/18/47/93/1205184793.db2.gz SRNRYTROKXCPFT-HNNXBMFYSA-N 0 3 310.441 3.167 20 30 DGEDHN CC1(C)C[C@H]1C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001733710215 1205190081 /nfs/dbraw/zinc/19/00/81/1205190081.db2.gz KJJRZJFFROZRNK-MOPGFXCFSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC001733762369 1205202598 /nfs/dbraw/zinc/20/25/98/1205202598.db2.gz LNYVQNAXYNVJQP-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CCC2CCCCCC2)CC1 ZINC001733765520 1205204531 /nfs/dbraw/zinc/20/45/31/1205204531.db2.gz XZOCVJVESRJSBG-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN CC#CCCCC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001733836420 1205226891 /nfs/dbraw/zinc/22/68/91/1205226891.db2.gz WVTQLXXSOARBEV-UHFFFAOYSA-N 0 3 310.441 3.222 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC001733891058 1205242722 /nfs/dbraw/zinc/24/27/22/1205242722.db2.gz DZONGEOHPBLIFI-BBRMVZONSA-N 0 3 306.475 3.492 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CC2(C)CC2)CC1 ZINC001733919836 1205254565 /nfs/dbraw/zinc/25/45/65/1205254565.db2.gz MHGYLMFHTZPAFZ-UHFFFAOYSA-N 0 3 312.885 3.490 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(OC)c1 ZINC001733923997 1205256866 /nfs/dbraw/zinc/25/68/66/1205256866.db2.gz BRUCKHCYNNYWSW-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CC1(c2ccccc2)CC1 ZINC001733929307 1205259397 /nfs/dbraw/zinc/25/93/97/1205259397.db2.gz ONRUKAZSEVHDIC-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cccc(C(F)F)c1 ZINC001733933445 1205263034 /nfs/dbraw/zinc/26/30/34/1205263034.db2.gz HHGJLEOMRZEWNS-INIZCTEOSA-N 0 3 322.399 3.276 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)cc(OC)c1 ZINC001733938020 1205266346 /nfs/dbraw/zinc/26/63/46/1205266346.db2.gz SUYIFGKHTXWPKE-HNNXBMFYSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1CCC(C2CC2)CC1 ZINC001733940275 1205266678 /nfs/dbraw/zinc/26/66/78/1205266678.db2.gz UYJXSRYRWPLURU-ABHNRTSZSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1OC ZINC001733962619 1205272408 /nfs/dbraw/zinc/27/24/08/1205272408.db2.gz HEGGDDYXIONNBG-CHWSQXEVSA-N 0 3 324.852 3.298 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)CC1 ZINC001733993257 1205281971 /nfs/dbraw/zinc/28/19/71/1205281971.db2.gz YRHGWMFWBTXILU-ROUUACIJSA-N 0 3 324.468 3.267 20 30 DGEDHN Cc1ccc(CN(C)[C@H](C)CNC(=O)C#CC(C)(C)C)cc1F ZINC001734032811 1205296969 /nfs/dbraw/zinc/29/69/69/1205296969.db2.gz AYWXZMUXXLXOSZ-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(C(F)F)c1 ZINC001734034841 1205297358 /nfs/dbraw/zinc/29/73/58/1205297358.db2.gz TTZSXNXWPSOMBX-CQSZACIVSA-N 0 3 322.399 3.364 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCCCc2ccccc2)C1 ZINC001734120116 1205329680 /nfs/dbraw/zinc/32/96/80/1205329680.db2.gz MWICWSNKPKEYGS-KRWDZBQOSA-N 0 3 314.473 3.412 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@@H](CC)c1ccccc1 ZINC001734352007 1205370091 /nfs/dbraw/zinc/37/00/91/1205370091.db2.gz XAVMNOHQAYEUFB-IAGOWNOFSA-N 0 3 300.446 3.030 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@H]1C ZINC001734419458 1205374477 /nfs/dbraw/zinc/37/44/77/1205374477.db2.gz PGJYUCVQIRFUPC-WBVHZDCISA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)C1(C)CC1)Cc1ccccc1 ZINC001734463702 1205382456 /nfs/dbraw/zinc/38/24/56/1205382456.db2.gz OLQLWNKSZKWBFA-MRXNPFEDSA-N 0 3 320.864 3.246 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C2(CCC)CC2)CC[C@@H]1C(F)(F)F ZINC001734590148 1205401806 /nfs/dbraw/zinc/40/18/06/1205401806.db2.gz UNMJWDVWXQCTLZ-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCCCC(=O)NCC1=CCN(Cc2ccc(CC)cc2)CC1 ZINC001734623750 1205406057 /nfs/dbraw/zinc/40/60/57/1205406057.db2.gz OJEKGBYLDKBJBC-UHFFFAOYSA-N 0 3 324.468 3.301 20 30 DGEDHN C=CC[C@H](C(=O)NCC1=CCN(CC=C)CC1)c1ccccc1 ZINC001734637405 1205408029 /nfs/dbraw/zinc/40/80/29/1205408029.db2.gz SIFVWYCNZZCDIW-IBGZPJMESA-N 0 3 310.441 3.281 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H](F)C2)c(F)c1 ZINC001734640803 1205408729 /nfs/dbraw/zinc/40/87/29/1205408729.db2.gz PSSQZKHFDNLFEQ-ZBFHGGJFSA-N 0 3 322.399 3.246 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001667591700 1197365285 /nfs/dbraw/zinc/36/52/85/1197365285.db2.gz BJWXEOQNRVJCDC-ZIAGYGMSSA-N 0 3 320.399 3.321 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001668267773 1197407337 /nfs/dbraw/zinc/40/73/37/1197407337.db2.gz MLMLKXJMIXWTAS-JTQLQIEISA-N 0 3 314.779 3.202 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001671768301 1197568315 /nfs/dbraw/zinc/56/83/15/1197568315.db2.gz DMSSPKAPACYMGZ-PINLSGDHSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001671886861 1197581193 /nfs/dbraw/zinc/58/11/93/1197581193.db2.gz CHFJYYZXLDXKMU-GDBMZVCRSA-N 0 3 314.420 3.216 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CC(C)(F)F ZINC001753034019 1202070612 /nfs/dbraw/zinc/07/06/12/1202070612.db2.gz YJOIDTSXXBOBPZ-GFCCVEGCSA-N 0 3 308.800 3.145 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H](C)NC/C(Cl)=C\Cl)CC1 ZINC001481327985 1083772418 /nfs/dbraw/zinc/77/24/18/1083772418.db2.gz JPLJLGYKPJTPNP-LQELWAHVSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001269333827 1085312678 /nfs/dbraw/zinc/31/26/78/1085312678.db2.gz YOTDXLDPVKPMJQ-ZIAGYGMSSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(Cl)s1 ZINC001128241963 1090923776 /nfs/dbraw/zinc/92/37/76/1090923776.db2.gz GLJLHCIGGWLVJS-UHFFFAOYSA-N 0 3 300.855 3.210 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CSCCC)CCCCC1 ZINC001115428193 1095216005 /nfs/dbraw/zinc/21/60/05/1095216005.db2.gz HHDGAADPGGEXDD-UHFFFAOYSA-N 0 3 318.914 3.291 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2occc2Cl)CC1 ZINC001167046104 1081579846 /nfs/dbraw/zinc/57/98/46/1081579846.db2.gz ZRYKVUZGKHYQTC-UHFFFAOYSA-N 0 3 317.216 3.175 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169527463 1081583192 /nfs/dbraw/zinc/58/31/92/1081583192.db2.gz MTKRRYZCGTYDHX-FUHWJXTLSA-N 0 3 312.457 3.063 20 30 DGEDHN N#CCc1ccc(Cl)cc1N1CCCc2ccc(CN)nc21 ZINC001169591924 1081600184 /nfs/dbraw/zinc/60/01/84/1081600184.db2.gz PWAXOTSBEIVRQY-UHFFFAOYSA-N 0 3 312.804 3.344 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)CCc1ccccc1F ZINC001480869658 1081679448 /nfs/dbraw/zinc/67/94/48/1081679448.db2.gz OHKUAEKIDFBQLT-UHFFFAOYSA-N 0 3 306.425 3.019 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001266346715 1081687410 /nfs/dbraw/zinc/68/74/10/1081687410.db2.gz AGZQVLFDXKEWRZ-AWEZNQCLSA-N 0 3 300.402 3.160 20 30 DGEDHN CC(=O)OC(C)(C)CCCN1CCc2ccc(C#N)cc2C1 ZINC001209148820 1081691342 /nfs/dbraw/zinc/69/13/42/1081691342.db2.gz MFUCETVFCQEFEA-UHFFFAOYSA-N 0 3 300.402 3.038 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001266360685 1081700465 /nfs/dbraw/zinc/70/04/65/1081700465.db2.gz BDFFBHMWTQLSDF-PMACEKPBSA-N 0 3 320.436 3.347 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108933591 1081739885 /nfs/dbraw/zinc/73/98/85/1081739885.db2.gz WPQGXGDRJDINIQ-SQNIBIBYSA-N 0 3 320.477 3.214 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)SC)C2 ZINC001108965738 1081746665 /nfs/dbraw/zinc/74/66/65/1081746665.db2.gz IQJRKNXCERIKNR-FZKCQIBNSA-N 0 3 310.507 3.206 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001204442585 1081751742 /nfs/dbraw/zinc/75/17/42/1081751742.db2.gz FGZNDOLLQTWZOS-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209455707 1081757008 /nfs/dbraw/zinc/75/70/08/1081757008.db2.gz WJWKBRLPECMODT-WFASDCNBSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CC)cc1 ZINC001109054995 1081760119 /nfs/dbraw/zinc/76/01/19/1081760119.db2.gz JOVHPYSQAHVJDV-QYZOEREBSA-N 0 3 312.457 3.437 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)CCC)C[C@@H](C)O2 ZINC001111549857 1081841709 /nfs/dbraw/zinc/84/17/09/1081841709.db2.gz XGOIRVOXRSPCGK-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](CC)CCCC)C2 ZINC001109538532 1081864576 /nfs/dbraw/zinc/86/45/76/1081864576.db2.gz GYSOQOTXNYSXNJ-BDXSIMOUSA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001266494746 1081895781 /nfs/dbraw/zinc/89/57/81/1081895781.db2.gz YMVIIOSMYLVQJX-OAGGEKHMSA-N 0 3 308.441 3.156 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109678905 1081899686 /nfs/dbraw/zinc/89/96/86/1081899686.db2.gz LOILUNPXTYRSRI-VUHPKUFZSA-N 0 3 322.493 3.125 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266499742 1081903481 /nfs/dbraw/zinc/90/34/81/1081903481.db2.gz GUBAZLDGYJBSDD-MRXNPFEDSA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266499742 1081903488 /nfs/dbraw/zinc/90/34/88/1081903488.db2.gz GUBAZLDGYJBSDD-MRXNPFEDSA-N 0 3 316.445 3.190 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001649464461 1081956620 /nfs/dbraw/zinc/95/66/20/1081956620.db2.gz QMILBYZCMKBUOA-SJORKVTESA-N 0 3 310.457 3.263 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1cccs1)C2 ZINC001110073193 1081958477 /nfs/dbraw/zinc/95/84/77/1081958477.db2.gz KJWOBIBUMFAVRA-PVAVHDDUSA-N 0 3 318.486 3.368 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001266544815 1081977179 /nfs/dbraw/zinc/97/71/79/1081977179.db2.gz JFVAWSQJUWCHNF-MSOLQXFVSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001086545729 1081981147 /nfs/dbraw/zinc/98/11/47/1081981147.db2.gz AFUJXVIOSBKACA-SHTZXODSSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001086546856 1081984215 /nfs/dbraw/zinc/98/42/15/1081984215.db2.gz DKFKSAWYPJLOAI-MGCOHNPYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001167339788 1081984389 /nfs/dbraw/zinc/98/43/89/1081984389.db2.gz MGLJJSDTTQIALT-UHFFFAOYSA-N 0 3 315.461 3.060 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001086554247 1081996066 /nfs/dbraw/zinc/99/60/66/1081996066.db2.gz COTVRGJPCIMKEM-CTYIDZIISA-N 0 3 324.827 3.293 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001086556636 1081998400 /nfs/dbraw/zinc/99/84/00/1081998400.db2.gz FIBCBVQAIIIHFO-WJYNOGRTSA-N 0 3 318.848 3.415 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001266573313 1082014473 /nfs/dbraw/zinc/01/44/73/1082014473.db2.gz PVIDVGCNNDFIQK-UHFFFAOYSA-N 0 3 324.424 3.412 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC001086565003 1082032349 /nfs/dbraw/zinc/03/23/49/1082032349.db2.gz SGRFUYVCYDSPMW-JOCQHMNTSA-N 0 3 318.804 3.283 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc(C(F)F)c1)C1CC1 ZINC001266617716 1082081257 /nfs/dbraw/zinc/08/12/57/1082081257.db2.gz UHWLUDYGGKRHRW-UHFFFAOYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](F)CC1CCCCC1)C1CC1 ZINC001266617621 1082081447 /nfs/dbraw/zinc/08/14/47/1082081447.db2.gz QOVVJJWKJAUOJR-KRWDZBQOSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCCCC2)C1 ZINC001086572868 1082102327 /nfs/dbraw/zinc/10/23/27/1082102327.db2.gz RFTRNTAXGLAMRL-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266672092 1082131608 /nfs/dbraw/zinc/13/16/08/1082131608.db2.gz MHSNIXQUNSAZCP-YTQUADARSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001086593999 1082229858 /nfs/dbraw/zinc/22/98/58/1082229858.db2.gz ADOKWDVGSJRJOD-RBUKOAKNSA-N 0 3 324.468 3.337 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cccc3ccncc32)CC1 ZINC001113487243 1082230097 /nfs/dbraw/zinc/23/00/97/1082230097.db2.gz QAHZKWRQBOYQMU-MRXNPFEDSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCO[C@@H]1CCCC[C@H]1C ZINC001480898030 1082309548 /nfs/dbraw/zinc/30/95/48/1082309548.db2.gz CCZMSBGVOXFHNM-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCC(NCc2conc2C)CC1 ZINC001266914346 1082334647 /nfs/dbraw/zinc/33/46/47/1082334647.db2.gz GXMZVTJNRSTZMR-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc(C#N)c1 ZINC001167521394 1082477331 /nfs/dbraw/zinc/47/73/31/1082477331.db2.gz BJWMNPRZZMBFPQ-IBGZPJMESA-N 0 3 310.397 3.209 20 30 DGEDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc(C#N)c1 ZINC001167521394 1082477332 /nfs/dbraw/zinc/47/73/32/1082477332.db2.gz BJWMNPRZZMBFPQ-IBGZPJMESA-N 0 3 310.397 3.209 20 30 DGEDHN C[C@H](Nc1nccnc1C(C#N)C(=O)OC(C)(C)C)C(C)(C)C ZINC001157878279 1082485108 /nfs/dbraw/zinc/48/51/08/1082485108.db2.gz QSKKFHDJBYCALK-RYUDHWBXSA-N 0 3 318.421 3.272 20 30 DGEDHN CC[C@H]1CC(NCCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170461761 1082508497 /nfs/dbraw/zinc/50/84/97/1082508497.db2.gz VYCQSQGCCKZCTI-GJZGRUSLSA-N 0 3 309.454 3.446 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)CC1CCCC1 ZINC001167561278 1082520134 /nfs/dbraw/zinc/52/01/34/1082520134.db2.gz PTHSMDHECWOILG-OAHLLOKOSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1OC ZINC001496133037 1082520654 /nfs/dbraw/zinc/52/06/54/1082520654.db2.gz SKOFLYQCBKNPBI-HNNXBMFYSA-N 0 3 318.461 3.152 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001167578180 1082545491 /nfs/dbraw/zinc/54/54/91/1082545491.db2.gz IYRQCZBDBOBRFL-HOCLYGCPSA-N 0 3 312.885 3.297 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CCC(F)(F)CC1 ZINC001267146302 1082564055 /nfs/dbraw/zinc/56/40/55/1082564055.db2.gz OIDHULWOQSRBPK-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CCC(F)(F)CC1 ZINC001267146301 1082564132 /nfs/dbraw/zinc/56/41/32/1082564132.db2.gz OIDHULWOQSRBPK-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc(F)c1Cl ZINC001267146848 1082564939 /nfs/dbraw/zinc/56/49/39/1082564939.db2.gz XXLPDBMDDQINSR-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2cnc(C)o2)CCCC1 ZINC001267156281 1082576602 /nfs/dbraw/zinc/57/66/02/1082576602.db2.gz PZUVAFIPQNFHNW-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@H](C)NCc2cc(C)no2)CC1 ZINC001267184859 1082610021 /nfs/dbraw/zinc/61/00/21/1082610021.db2.gz FJNVFIZPGGAJRW-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN Cn1cccc1[C@H]1CCCCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001167633984 1082628356 /nfs/dbraw/zinc/62/83/56/1082628356.db2.gz HBHUPCKKXCJTKT-RTBURBONSA-N 0 3 309.413 3.157 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C1(Cc2ccccc2)CCC1 ZINC001267199832 1082629877 /nfs/dbraw/zinc/62/98/77/1082629877.db2.gz WPNFDBIACAGINR-UHFFFAOYSA-N 0 3 300.446 3.024 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@H]1c1ccccc1 ZINC001211563629 1082638211 /nfs/dbraw/zinc/63/82/11/1082638211.db2.gz ZCLSLVYLCBMBCW-YTQUADARSA-N 0 3 312.457 3.030 20 30 DGEDHN CC[C@H](C)C(=O)NCCCN(Cc1ccccc1C#N)C(C)C ZINC001267235581 1082680227 /nfs/dbraw/zinc/68/02/27/1082680227.db2.gz FFXFSVQKAOYKGA-INIZCTEOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCCCC)C[C@@H](C)O2 ZINC001131697146 1082708040 /nfs/dbraw/zinc/70/80/40/1082708040.db2.gz HEKXUEKYIQPOJJ-IEBWSBKVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001267277412 1082740047 /nfs/dbraw/zinc/74/00/47/1082740047.db2.gz XTLMJECCGFJYLO-QYZOEREBSA-N 0 3 312.457 3.022 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001267281025 1082744623 /nfs/dbraw/zinc/74/46/23/1082744623.db2.gz FHVPBRZIQQKKFN-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2CCCCCC2)CC[C@H]1C ZINC001131900479 1082759247 /nfs/dbraw/zinc/75/92/47/1082759247.db2.gz YOKBRRZGBXUHLT-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2CCCCCC2)CC[C@@H]1C ZINC001131900480 1082759383 /nfs/dbraw/zinc/75/93/83/1082759383.db2.gz YOKBRRZGBXUHLT-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2CCCCCC2)CC[C@H]1C ZINC001131900481 1082759606 /nfs/dbraw/zinc/75/96/06/1082759606.db2.gz YOKBRRZGBXUHLT-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001131895891 1082762936 /nfs/dbraw/zinc/76/29/36/1082762936.db2.gz MYGAGDNMZVNHRH-AEFFLSMTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001267300710 1082763662 /nfs/dbraw/zinc/76/36/62/1082763662.db2.gz SQVQVXMLKKHWNX-RDJZCZTQSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C1(C2CCCCC2)CC1 ZINC001267320074 1082790676 /nfs/dbraw/zinc/79/06/76/1082790676.db2.gz YVBFFMANFCIWNR-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]2C)cc1 ZINC001132016945 1082797002 /nfs/dbraw/zinc/79/70/02/1082797002.db2.gz LELZMTAOWFKXKH-HKUYNNGSSA-N 0 3 312.457 3.124 20 30 DGEDHN C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC001132033281 1082797828 /nfs/dbraw/zinc/79/78/28/1082797828.db2.gz CWHAGDXNLRVTEH-WMZOPIPTSA-N 0 3 312.457 3.205 20 30 DGEDHN CCc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@@H]2C)cc1 ZINC001132033858 1082798476 /nfs/dbraw/zinc/79/84/76/1082798476.db2.gz MHAUXEAHUOCXAE-JXFKEZNVSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CC2(C)CCCC2)CC[C@@H]1C ZINC001132038049 1082798798 /nfs/dbraw/zinc/79/87/98/1082798798.db2.gz MUHZBZFFXJXZCO-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(CCNC(=O)c1cncc(-c2ccccc2)c1)C1CC1 ZINC001267326085 1082799005 /nfs/dbraw/zinc/79/90/05/1082799005.db2.gz LXLRXNDUPWEYJG-UHFFFAOYSA-N 0 3 321.424 3.129 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CC2(C)CCCC2)CC[C@H]1C ZINC001132038050 1082799020 /nfs/dbraw/zinc/79/90/20/1082799020.db2.gz MUHZBZFFXJXZCO-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(CCNC(=O)c1csc2ccccc12)C1CC1 ZINC001267330813 1082805682 /nfs/dbraw/zinc/80/56/82/1082805682.db2.gz NRJIJLAZBIOXOV-UHFFFAOYSA-N 0 3 300.427 3.282 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@@H]2C)cc1C ZINC001132047275 1082806293 /nfs/dbraw/zinc/80/62/93/1082806293.db2.gz WAYVXKXUBBHVCH-FXAWDEMLSA-N 0 3 324.468 3.186 20 30 DGEDHN Cc1ccc(C)c(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)c1 ZINC001132045802 1082806848 /nfs/dbraw/zinc/80/68/48/1082806848.db2.gz JAZRCPNUUFFXQR-YLJYHZDGSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC2(c3ccccc3)CC2)CC[C@@H]1C ZINC001132090356 1082818633 /nfs/dbraw/zinc/81/86/33/1082818633.db2.gz GTIALYRPGGROHU-WMZOPIPTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC2(c3ccccc3)CC2)CC[C@H]1C ZINC001132090355 1082818669 /nfs/dbraw/zinc/81/86/69/1082818669.db2.gz GTIALYRPGGROHU-SJLPKXTDSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc(C)c(Cl)cc1C ZINC001493308761 1082819417 /nfs/dbraw/zinc/81/94/17/1082819417.db2.gz QSHSEQPBJSCIIE-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(Cc3ccccc3)CC2)CC[C@@H]1C ZINC001132110315 1082820889 /nfs/dbraw/zinc/82/08/89/1082820889.db2.gz HOEUFWSREOBRQX-HKUYNNGSSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@H]1C ZINC001132132404 1082824477 /nfs/dbraw/zinc/82/44/77/1082824477.db2.gz QLJKZBSPGVADHI-OLZOCXBDSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@@H]1C ZINC001132132406 1082824817 /nfs/dbraw/zinc/82/48/17/1082824817.db2.gz QLJKZBSPGVADHI-STQMWFEESA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)cc2)CC[C@H]1C ZINC001132160767 1082831750 /nfs/dbraw/zinc/83/17/50/1082831750.db2.gz RBPXJEIGDXJVIL-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 ZINC001267362752 1082834010 /nfs/dbraw/zinc/83/40/10/1082834010.db2.gz VNJXWFHSVOPDMG-QUCCMNQESA-N 0 3 310.441 3.203 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001132302892 1082873526 /nfs/dbraw/zinc/87/35/26/1082873526.db2.gz ZNGRXZWSOZJSKG-UHFFFAOYSA-N 0 3 300.402 3.241 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132330311 1082882121 /nfs/dbraw/zinc/88/21/21/1082882121.db2.gz FMVTVYVBGRHRJL-CVEARBPZSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132456516 1082912342 /nfs/dbraw/zinc/91/23/42/1082912342.db2.gz GBYBSBOPJGGEDL-NWDGAFQWSA-N 0 3 306.372 3.120 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3C)C(C)(C)[C@@H]21 ZINC001087270296 1082916985 /nfs/dbraw/zinc/91/69/85/1082916985.db2.gz XUTOIONGDZYSFI-GUDVDZBRSA-N 0 3 324.468 3.237 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CCCC1 ZINC001087271337 1082918724 /nfs/dbraw/zinc/91/87/24/1082918724.db2.gz QLCLMHDDWUMCEM-NZSAHSFTSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2sc(C)nc2C)CC[C@@H]1C ZINC001132469764 1082920692 /nfs/dbraw/zinc/92/06/92/1082920692.db2.gz WEUVNLHBHSNOMV-WFASDCNBSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001267475854 1082930029 /nfs/dbraw/zinc/93/00/29/1082930029.db2.gz QOUJTTZRNRGHDT-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cc(F)ccc2F)CC[C@@H]1C ZINC001132524794 1082934091 /nfs/dbraw/zinc/93/40/91/1082934091.db2.gz LKURRPVJRNXWDU-XJKSGUPXSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cccc(F)c2F)CC[C@@H]1C ZINC001132545711 1082939452 /nfs/dbraw/zinc/93/94/52/1082939452.db2.gz FGEFHCMTIGJNNX-DZGCQCFKSA-N 0 3 322.399 3.053 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000194884503 1082955527 /nfs/dbraw/zinc/95/55/27/1082955527.db2.gz JSQDJOYJFKBQEM-CQSZACIVSA-N 0 3 324.380 3.211 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1conc1C)C(C)C ZINC001267505748 1082964866 /nfs/dbraw/zinc/96/48/66/1082964866.db2.gz JXKBIXQOVJUTJQ-UHFFFAOYSA-N 0 3 321.465 3.302 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](C)[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001132696227 1082983364 /nfs/dbraw/zinc/98/33/64/1082983364.db2.gz ICZLZZGVXCYFGO-RQFBLELKSA-N 0 3 319.276 3.346 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CCC2(CC2)CC1)c1ccccc1 ZINC001267519256 1082978437 /nfs/dbraw/zinc/97/84/37/1082978437.db2.gz COYZUNLOOWZIRJ-IBGZPJMESA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001111941217 1082988726 /nfs/dbraw/zinc/98/87/26/1082988726.db2.gz JXXDEYMRTOHJJC-SCTDSRPQSA-N 0 3 322.468 3.452 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC001267535592 1082997226 /nfs/dbraw/zinc/99/72/26/1082997226.db2.gz BGBWKGUVHROROV-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C#CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC)CCCCC1 ZINC001267537024 1082999184 /nfs/dbraw/zinc/99/91/84/1082999184.db2.gz CGMFRIYFOQGHKR-CALCHBBNSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC=C)CCCCC1 ZINC001267537877 1083000724 /nfs/dbraw/zinc/00/07/24/1083000724.db2.gz MHFPOBRUIQXUHT-HDICACEKSA-N 0 3 314.473 3.212 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccn(C)c2CC)C1 ZINC001267547377 1083018011 /nfs/dbraw/zinc/01/80/11/1083018011.db2.gz MHCSYNRCUSVLLC-MRXNPFEDSA-N 0 3 317.477 3.090 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCN(Cc2cncs2)C1 ZINC001267563661 1083044194 /nfs/dbraw/zinc/04/41/94/1083044194.db2.gz CONJEOVTTOAGOP-LSDHHAIUSA-N 0 3 321.490 3.074 20 30 DGEDHN CCN(CCNC(=O)CCC1CCC1)Cc1ccc(C#N)cc1 ZINC001480966925 1083052679 /nfs/dbraw/zinc/05/26/79/1083052679.db2.gz AHXQTPFGJDVJPH-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)CCc1scnc1C ZINC001480992583 1083064743 /nfs/dbraw/zinc/06/47/43/1083064743.db2.gz VKNMMEKEGNODIX-UHFFFAOYSA-N 0 3 323.506 3.034 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H](CN(C)C[C@@H](F)CC)C2)CC1 ZINC001267587612 1083107657 /nfs/dbraw/zinc/10/76/57/1083107657.db2.gz BCMRVZDCSPFMHW-WBVHZDCISA-N 0 3 310.457 3.261 20 30 DGEDHN C=C1CCC(C(=O)NCCNCc2cc3ccccc3o2)CC1 ZINC001133369444 1083107880 /nfs/dbraw/zinc/10/78/80/1083107880.db2.gz XKYJPYXNSKLCSI-UHFFFAOYSA-N 0 3 312.413 3.385 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001133378959 1083110007 /nfs/dbraw/zinc/11/00/07/1083110007.db2.gz PMZOMYRBUDSUBC-LJQANCHMSA-N 0 3 317.477 3.322 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@H](C)CC ZINC001133398406 1083112920 /nfs/dbraw/zinc/11/29/20/1083112920.db2.gz UOGODYWROYBBMW-OAHLLOKOSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCC1(C(=O)NCCN[C@H](C)c2ccc(F)c(F)c2)CCC1 ZINC001133395609 1083115469 /nfs/dbraw/zinc/11/54/69/1083115469.db2.gz SLLTYSIHINEDLG-CYBMUJFWSA-N 0 3 322.399 3.478 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133540545 1083146280 /nfs/dbraw/zinc/14/62/80/1083146280.db2.gz NABYSWNTCVWJEC-ZIAGYGMSSA-N 0 3 319.424 3.116 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001481071422 1083148763 /nfs/dbraw/zinc/14/87/63/1083148763.db2.gz NLAJORWEBJMIOW-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C[C@@H]1NC[C@H]1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001218386743 1083161120 /nfs/dbraw/zinc/16/11/20/1083161120.db2.gz WMIGWXXRNBLTRY-IUYQGCFVSA-N 0 3 303.177 3.001 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CCCCC ZINC001133691697 1083176576 /nfs/dbraw/zinc/17/65/76/1083176576.db2.gz CGAFSEZDCZYTJG-QWHCGFSZSA-N 0 3 319.287 3.348 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCCCOCC ZINC001158949925 1083177106 /nfs/dbraw/zinc/17/71/06/1083177106.db2.gz WMFLQTORQMMMIV-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)c2ccco2)C[C@H]1C ZINC001104669707 1083181082 /nfs/dbraw/zinc/18/10/82/1083181082.db2.gz VPLXAZNJXDVBBO-VHDGCEQUSA-N 0 3 324.852 3.210 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(O)ccc1Cl ZINC001133883730 1083205745 /nfs/dbraw/zinc/20/57/45/1083205745.db2.gz FEYGEEQHEQVBIA-STQMWFEESA-N 0 3 324.852 3.385 20 30 DGEDHN CCCN(CCNC(=O)C1(C)CCC1)Cc1ccc(C#N)cc1 ZINC001481144204 1083210013 /nfs/dbraw/zinc/21/00/13/1083210013.db2.gz SKFSBCMCUKWROK-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)c1c(F)cccc1F)C1CC1 ZINC001481176256 1083224731 /nfs/dbraw/zinc/22/47/31/1083224731.db2.gz BJILZLJWVOMFND-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccsn2)C1 ZINC001267628185 1083230686 /nfs/dbraw/zinc/23/06/86/1083230686.db2.gz VELDZFPINYIMNU-AWEZNQCLSA-N 0 3 309.479 3.308 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1ccccc1C)C1CC1 ZINC001481200727 1083243150 /nfs/dbraw/zinc/24/31/50/1083243150.db2.gz RUCTYRWGBUCQOF-MRXNPFEDSA-N 0 3 300.446 3.255 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N2CC(CNC(=O)C#CC(C)C)C2)c1 ZINC001267680819 1083260862 /nfs/dbraw/zinc/26/08/62/1083260862.db2.gz YOQLJWXEZAVGRK-KRWDZBQOSA-N 0 3 312.457 3.072 20 30 DGEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001267706362 1083273679 /nfs/dbraw/zinc/27/36/79/1083273679.db2.gz LPXBZNNIBFUXSL-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN N#Cc1ccc(CNCCNC(=O)CC2CCCCCC2)cc1 ZINC001134411721 1083285164 /nfs/dbraw/zinc/28/51/64/1083285164.db2.gz CTSNBLLNRZZMPA-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN N#Cc1ccc(CNCCNC(=O)CC2CCCCCC2)s1 ZINC001134410539 1083285172 /nfs/dbraw/zinc/28/51/72/1083285172.db2.gz WSFVNQQBBTVOIM-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134418700 1083287423 /nfs/dbraw/zinc/28/74/23/1083287423.db2.gz OBOWLCZFPSIUAA-KBPBESRZSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC001267731208 1083289462 /nfs/dbraw/zinc/28/94/62/1083289462.db2.gz SYGWNOGFOBWKGI-ZDUSSCGKSA-N 0 3 312.866 3.101 20 30 DGEDHN CC(C(=O)N(C)CCNCc1ccc(C#N)s1)=C1CCCC1 ZINC001481218441 1083289469 /nfs/dbraw/zinc/28/94/69/1083289469.db2.gz ABFORZLCIZYRQN-UHFFFAOYSA-N 0 3 317.458 3.058 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC001267734247 1083292390 /nfs/dbraw/zinc/29/23/90/1083292390.db2.gz AFEDFQOHKPBCBG-AWEZNQCLSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001134470389 1083295686 /nfs/dbraw/zinc/29/56/86/1083295686.db2.gz PSAUVUXDBXIYLZ-CHWSQXEVSA-N 0 3 323.506 3.489 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC001134475665 1083298033 /nfs/dbraw/zinc/29/80/33/1083298033.db2.gz HHIIGBXLCSCSDD-KBPBESRZSA-N 0 3 319.449 3.281 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001134475957 1083298184 /nfs/dbraw/zinc/29/81/84/1083298184.db2.gz KOSWHAOIQBRMBT-CHWSQXEVSA-N 0 3 307.438 3.021 20 30 DGEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(NCC3CN(C)C3)c12 ZINC001159221969 1083315240 /nfs/dbraw/zinc/31/52/40/1083315240.db2.gz DZTUOJYRTZXTJV-UHFFFAOYSA-N 0 3 318.783 3.181 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@H]1C ZINC001104874243 1083322133 /nfs/dbraw/zinc/32/21/33/1083322133.db2.gz QKIJSBBGQPJZFV-BMFZPTHFSA-N 0 3 324.896 3.393 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(C)C(=O)c2cncs2)C1 ZINC001267756894 1083322678 /nfs/dbraw/zinc/32/26/78/1083322678.db2.gz OROAKUCRLWSGGX-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001267765323 1083328774 /nfs/dbraw/zinc/32/87/74/1083328774.db2.gz XESHEABTMQTJCM-IBGZPJMESA-N 0 3 312.457 3.140 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481248607 1083331397 /nfs/dbraw/zinc/33/13/97/1083331397.db2.gz PFAJEMXEYKHDFD-HNNXBMFYSA-N 0 3 315.461 3.179 20 30 DGEDHN CCCC[C@@](C)(F)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481250900 1083334362 /nfs/dbraw/zinc/33/43/62/1083334362.db2.gz SILPBMOOGYYQCS-GOSISDBHSA-N 0 3 319.424 3.025 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccn(CC)c2C)CCCC1 ZINC001267842461 1083431476 /nfs/dbraw/zinc/43/14/76/1083431476.db2.gz URYILAYZTFJZQS-UHFFFAOYSA-N 0 3 323.868 3.201 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001181511340 1083480801 /nfs/dbraw/zinc/48/08/01/1083480801.db2.gz LCHFCQUUIGKEFS-CYBMUJFWSA-N 0 3 310.800 3.136 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2cccc(F)c2)CC1 ZINC001481277922 1083514315 /nfs/dbraw/zinc/51/43/15/1083514315.db2.gz YBIIKDAOOKXWMZ-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CCNCc2cc(C)no2)C1 ZINC001267892531 1083525291 /nfs/dbraw/zinc/52/52/91/1083525291.db2.gz GQKNJLFISVFDHN-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN CC(C)C(=O)NCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC001267934379 1083596909 /nfs/dbraw/zinc/59/69/09/1083596909.db2.gz WUCJSWANEUORCR-UHFFFAOYSA-N 0 3 321.424 3.120 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCCC3(CC3)C2)cc1 ZINC001267936128 1083600274 /nfs/dbraw/zinc/60/02/74/1083600274.db2.gz HSUOYQKBICAHTN-IBGZPJMESA-N 0 3 324.468 3.386 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@]2(C)CC=CCC2)cc1 ZINC001267937911 1083601819 /nfs/dbraw/zinc/60/18/19/1083601819.db2.gz CBQIEPCSQCHWJH-FQEVSTJZSA-N 0 3 310.441 3.162 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(C)(C)CCC)cc1 ZINC001267939378 1083603358 /nfs/dbraw/zinc/60/33/58/1083603358.db2.gz UOAXWVZPIVGTGK-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001267953250 1083641138 /nfs/dbraw/zinc/64/11/38/1083641138.db2.gz 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CCCCCC(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268049209 1084022045 /nfs/dbraw/zinc/02/20/45/1084022045.db2.gz IRKRUDUREFTAFH-MRXNPFEDSA-N 0 3 318.436 3.194 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001268058589 1084063209 /nfs/dbraw/zinc/06/32/09/1084063209.db2.gz AENJQJVWCLYHIT-CABCVRRESA-N 0 3 320.864 3.497 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC001268058591 1084063362 /nfs/dbraw/zinc/06/33/62/1084063362.db2.gz AENJQJVWCLYHIT-HUUCEWRRSA-N 0 3 320.864 3.497 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(C)cc2C)C1 ZINC001481527059 1084077873 /nfs/dbraw/zinc/07/78/73/1084077873.db2.gz ATGPFSJJWVWTFK-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001151388269 1084106964 /nfs/dbraw/zinc/10/69/64/1084106964.db2.gz YTBMAJYAHXQGJZ-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccccc1Cl ZINC001268078830 1084114271 /nfs/dbraw/zinc/11/42/71/1084114271.db2.gz 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1084256609 /nfs/dbraw/zinc/25/66/09/1084256609.db2.gz KNKSSBWSHMOINM-GJZGRUSLSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CCc2ccc(CC)cc2)C1 ZINC001481627200 1084275221 /nfs/dbraw/zinc/27/52/21/1084275221.db2.gz IWIVDUCSHSEFKJ-UHFFFAOYSA-N 0 3 314.473 3.196 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001184917097 1084291240 /nfs/dbraw/zinc/29/12/40/1084291240.db2.gz HSUCAZFHSAJVOU-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001273495380 1084295530 /nfs/dbraw/zinc/29/55/30/1084295530.db2.gz VLOFKOZKAKOCJC-SFHVURJKSA-N 0 3 303.450 3.103 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001268193522 1084303052 /nfs/dbraw/zinc/30/30/52/1084303052.db2.gz NUPZGCMJSXZHNP-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1scnc1C ZINC001282166272 1084321553 /nfs/dbraw/zinc/32/15/53/1084321553.db2.gz DPQYIXQGLHRLRL-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001185063562 1084327152 /nfs/dbraw/zinc/32/71/52/1084327152.db2.gz CTVWIPPZFLVFQN-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001481639510 1084328263 /nfs/dbraw/zinc/32/82/63/1084328263.db2.gz YKFBVKBBANESGI-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1c(C)noc1C)C(C)C ZINC001268215991 1084339736 /nfs/dbraw/zinc/33/97/36/1084339736.db2.gz FKTDIURYYUPQAL-FUHWJXTLSA-N 0 3 321.465 3.124 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(F)c1F)C(C)C ZINC001268217717 1084340650 /nfs/dbraw/zinc/34/06/50/1084340650.db2.gz CIVXHXJDIZEGGV-ZDUSSCGKSA-N 0 3 316.779 3.061 20 30 DGEDHN CC(C)[C@H](C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001268221429 1084351196 /nfs/dbraw/zinc/35/11/96/1084351196.db2.gz CNMFFRZJDDCNBG-PKOBYXMFSA-N 0 3 314.473 3.061 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1sccc1CC)C(C)C ZINC001268227011 1084361586 /nfs/dbraw/zinc/36/15/86/1084361586.db2.gz 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/nfs/dbraw/zinc/05/92/62/1085059262.db2.gz OXTMYTYMJMTERS-INIZCTEOSA-N 0 3 324.827 3.046 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001268858701 1085068850 /nfs/dbraw/zinc/06/88/50/1085068850.db2.gz PBQLWENYOLFOKT-OAHLLOKOSA-N 0 3 300.446 3.316 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(CCc2ccc(C)cc2)C1 ZINC001268874258 1085071564 /nfs/dbraw/zinc/07/15/64/1085071564.db2.gz INYWORDCHIODQG-FQEVSTJZSA-N 0 3 314.473 3.188 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001268883257 1085072860 /nfs/dbraw/zinc/07/28/60/1085072860.db2.gz FGHDFCPPDQZQMU-OAHLLOKOSA-N 0 3 300.446 3.398 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001268960457 1085089560 /nfs/dbraw/zinc/08/95/60/1085089560.db2.gz RBTXSFZOLFDMHH-SZMVWBNQSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCC#CC ZINC001268960617 1085089732 /nfs/dbraw/zinc/08/97/32/1085089732.db2.gz WERGWSVKLXOEJO-ROUUACIJSA-N 0 3 302.462 3.212 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001269069861 1085112433 /nfs/dbraw/zinc/11/24/33/1085112433.db2.gz XWYYKSFTXXMAMA-SJORKVTESA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001269121084 1085135532 /nfs/dbraw/zinc/13/55/32/1085135532.db2.gz ZYNRWFCJFYIIAH-KRWDZBQOSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001269247905 1085234084 /nfs/dbraw/zinc/23/40/84/1085234084.db2.gz KZVUNIMYHOEWRS-GDBMZVCRSA-N 0 3 316.445 3.317 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001269249023 1085236456 /nfs/dbraw/zinc/23/64/56/1085236456.db2.gz PPEBJSWCYRQFGR-ZDUSSCGKSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001269291759 1085275913 /nfs/dbraw/zinc/27/59/13/1085275913.db2.gz LZKBUQZAUBKVPJ-MOPGFXCFSA-N 0 3 314.473 3.268 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001269324497 1085304601 /nfs/dbraw/zinc/30/46/01/1085304601.db2.gz LYEYHRMHPZLTHE-FQEVSTJZSA-N 0 3 324.468 3.140 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001269354741 1085330260 /nfs/dbraw/zinc/33/02/60/1085330260.db2.gz AFCYFLRYPVIXNW-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H](C)CC)NCC#Cc1ccc(Cl)cc1 ZINC001269371161 1085345875 /nfs/dbraw/zinc/34/58/75/1085345875.db2.gz BSFZHFCTXKIGIT-WMLDXEAASA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@H](CNC(=O)CCC1CCC1)NCc1ccc(C#N)s1 ZINC001269383162 1085352756 /nfs/dbraw/zinc/35/27/56/1085352756.db2.gz GVTHFYHSFVBWEW-CQSZACIVSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cc(F)cc(F)c1 ZINC001269449038 1085390377 /nfs/dbraw/zinc/39/03/77/1085390377.db2.gz SGQCRCQTHBEYCJ-HNNXBMFYSA-N 0 3 310.388 3.161 20 30 DGEDHN CC[C@@H](CNC(=O)C[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001269449341 1085392647 /nfs/dbraw/zinc/39/26/47/1085392647.db2.gz YJEQDQJFSZGFHP-UXHICEINSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCC1 ZINC001269549284 1085459168 /nfs/dbraw/zinc/45/91/68/1085459168.db2.gz JUSVRHINOGQMJT-OWCLPIDISA-N 0 3 322.880 3.360 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001269699394 1085533736 /nfs/dbraw/zinc/53/37/36/1085533736.db2.gz CSEHREIGOJPVFC-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CCCC)CC1)CC2 ZINC001482244638 1085573769 /nfs/dbraw/zinc/57/37/69/1085573769.db2.gz BOHPINIKMDQGEY-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2c(F)cccc2F)C[C@@H]1C ZINC001269918371 1085614360 /nfs/dbraw/zinc/61/43/60/1085614360.db2.gz VFNWJJJEUNZZMP-KBPBESRZSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001482259045 1085656157 /nfs/dbraw/zinc/65/61/57/1085656157.db2.gz ISGRETQSYLGYTF-HNNXBMFYSA-N 0 3 303.450 3.108 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCCC2(C)C)cc1 ZINC001270071148 1085678060 /nfs/dbraw/zinc/67/80/60/1085678060.db2.gz NHTIECWGVLDOIO-GOSISDBHSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCc1ncccc1C ZINC001270113056 1085696832 /nfs/dbraw/zinc/69/68/32/1085696832.db2.gz NTCGAJLBBWOJEB-SJORKVTESA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCCCC(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001270130570 1085703558 /nfs/dbraw/zinc/70/35/58/1085703558.db2.gz BBKBFCBOVYEKNG-WDZFZDKYSA-N 0 3 310.869 3.151 20 30 DGEDHN C=C1CC(C)(C(=O)NCCC2CCN(C/C=C\Cl)CC2)C1 ZINC001270137435 1085707025 /nfs/dbraw/zinc/70/70/25/1085707025.db2.gz AITQUDVXYQPIKZ-CLTKARDFSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2ccc(F)cc2F)CC1 ZINC001270266356 1085755164 /nfs/dbraw/zinc/75/51/64/1085755164.db2.gz CVBGIWSSYPZENB-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCN(C(=O)C(C)=C1CCC1)C1CCN(CC=C(C)C)CC1 ZINC001270315711 1085768380 /nfs/dbraw/zinc/76/83/80/1085768380.db2.gz VVFLCESUUZGJLS-UHFFFAOYSA-N 0 3 314.473 3.379 20 30 DGEDHN C#CCN(C(=O)c1cccc(C2CC2)c1)C1CCN(CC=C)CC1 ZINC001270364610 1085785763 /nfs/dbraw/zinc/78/57/63/1085785763.db2.gz SIOCOSOPACOMAE-UHFFFAOYSA-N 0 3 322.452 3.290 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2ncc(C)s2)CCC1 ZINC001270506073 1085836287 /nfs/dbraw/zinc/83/62/87/1085836287.db2.gz ALHOYKFNCAKFSN-CYBMUJFWSA-N 0 3 321.490 3.040 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(CCC)CCC1)C2 ZINC001270514040 1085840666 /nfs/dbraw/zinc/84/06/66/1085840666.db2.gz TYZUUPDTMDBPAB-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccc3ncccc3c2)C1 ZINC001270559351 1085859307 /nfs/dbraw/zinc/85/93/07/1085859307.db2.gz WZBJOBFYRYJAJB-HXUWFJFHSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001270590740 1085874454 /nfs/dbraw/zinc/87/44/54/1085874454.db2.gz RNBRURFNBNBXEB-LJQANCHMSA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001270659858 1085924102 /nfs/dbraw/zinc/92/41/02/1085924102.db2.gz WREJFZXXMUOTJB-LPHOPBHVSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cccc(F)c2)CCCC1 ZINC001270706656 1085955729 /nfs/dbraw/zinc/95/57/29/1085955729.db2.gz GCZATWATPMOGQI-UHFFFAOYSA-N 0 3 310.800 3.210 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cccc(C)c2)CCCC1 ZINC001270713351 1085958155 /nfs/dbraw/zinc/95/81/55/1085958155.db2.gz FVXJHRJQWVJEOV-UHFFFAOYSA-N 0 3 306.837 3.380 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 ZINC001211864450 1086088498 /nfs/dbraw/zinc/08/84/98/1086088498.db2.gz IERNPQLVIHUAJX-HZPDHXFCSA-N 0 3 312.498 3.208 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1cc(C)cc(F)c1)CC2 ZINC001143585959 1086105161 /nfs/dbraw/zinc/10/51/61/1086105161.db2.gz QBLUIVJAGKHRAP-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001105391674 1086159297 /nfs/dbraw/zinc/15/92/97/1086159297.db2.gz ITFHZYZSKYJLPV-WLGQOEQESA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001105391986 1086163512 /nfs/dbraw/zinc/16/35/12/1086163512.db2.gz QFAWFTLYSDDIIN-VQIMIIECSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001270911077 1086185898 /nfs/dbraw/zinc/18/58/98/1086185898.db2.gz LTIUNOOCJPVRPY-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001482447535 1086224861 /nfs/dbraw/zinc/22/48/61/1086224861.db2.gz MGAUMPFPIISIEG-HNNXBMFYSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(F)ccc2C)C1 ZINC001270982315 1086230403 /nfs/dbraw/zinc/23/04/03/1086230403.db2.gz HULCNMKJERAHIW-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001271006996 1086245144 /nfs/dbraw/zinc/24/51/44/1086245144.db2.gz GPUYDQHVARZEIF-HKUYNNGSSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001271017571 1086254460 /nfs/dbraw/zinc/25/44/60/1086254460.db2.gz RAWMOTMSSIWHAW-SYYJFZTOSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1CC ZINC001087581980 1086314218 /nfs/dbraw/zinc/31/42/18/1086314218.db2.gz LZVZSHRXPJWLOG-JKSUJKDBSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)[C@H]1CC ZINC001087623445 1086331712 /nfs/dbraw/zinc/33/17/12/1086331712.db2.gz FXVGHHVRMVDKKG-XUWVNRHRSA-N 0 3 304.459 3.007 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c3ccccc3n2)[C@H]1CC ZINC001087627500 1086333324 /nfs/dbraw/zinc/33/33/24/1086333324.db2.gz LZJRZXXFGMZIIJ-PKOBYXMFSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H]1CC ZINC001087649627 1086342890 /nfs/dbraw/zinc/34/28/90/1086342890.db2.gz WKYYMDUNIAISBG-DLBZAZTESA-N 0 3 311.429 3.245 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1CC ZINC001087702490 1086366216 /nfs/dbraw/zinc/36/62/16/1086366216.db2.gz XKNZKVOHTNIDNB-JKSUJKDBSA-N 0 3 302.418 3.316 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCOc1ccc(C)cc1C ZINC001496715870 1086371664 /nfs/dbraw/zinc/37/16/64/1086371664.db2.gz SBYVSKQIJFNCQX-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1CC ZINC001087710038 1086372662 /nfs/dbraw/zinc/37/26/62/1086372662.db2.gz FQQUNSSTFNQSRQ-ZWKOTPCHSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H]1CC ZINC001087738419 1086383668 /nfs/dbraw/zinc/38/36/68/1086383668.db2.gz YVJKJCUIOBQQMY-LSDHHAIUSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@H]1CC ZINC001087737093 1086384547 /nfs/dbraw/zinc/38/45/47/1086384547.db2.gz CYJYGFSPVFWVGT-IGKNDFSCSA-N 0 3 304.478 3.358 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087742862 1086389563 /nfs/dbraw/zinc/38/95/63/1086389563.db2.gz FXMRCRRNEDDBNG-BPQIPLTHSA-N 0 3 300.446 3.254 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087744585 1086393318 /nfs/dbraw/zinc/39/33/18/1086393318.db2.gz YCPJSYFINWIJBB-YTQUADARSA-N 0 3 312.457 3.091 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1CC ZINC001087779539 1086406387 /nfs/dbraw/zinc/40/63/87/1086406387.db2.gz LTROMAZGEMHDDN-LSDHHAIUSA-N 0 3 317.433 3.019 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]1CC ZINC001087815556 1086422655 /nfs/dbraw/zinc/42/26/55/1086422655.db2.gz QOYNMYUDDCBJRL-JKSUJKDBSA-N 0 3 306.837 3.038 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)[C@H]1CC ZINC001087828309 1086431441 /nfs/dbraw/zinc/43/14/41/1086431441.db2.gz HMMRMIRBEZFION-RBUKOAKNSA-N 0 3 323.440 3.450 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cccnc1)CC(C)C ZINC001271285497 1086564023 /nfs/dbraw/zinc/56/40/23/1086564023.db2.gz GOESYEPZSQZXLL-QGZVFWFLSA-N 0 3 317.477 3.304 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2csc(C)n2)[C@@H](C)C1 ZINC001271393291 1086594571 /nfs/dbraw/zinc/59/45/71/1086594571.db2.gz GAHRRXSQVZHIAQ-XJKSGUPXSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc[nH]c1C)c1ccccc1CC ZINC001271448485 1086643311 /nfs/dbraw/zinc/64/33/11/1086643311.db2.gz WWGHMTYXKJZHMM-SFHVURJKSA-N 0 3 311.429 3.132 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 ZINC001211896616 1086644500 /nfs/dbraw/zinc/64/45/00/1086644500.db2.gz JKLLWIAPPMRDEN-IAGOWNOFSA-N 0 3 312.498 3.208 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NCc2cscn2)C1 ZINC001271492282 1086668576 /nfs/dbraw/zinc/66/85/76/1086668576.db2.gz YMZCVBXMDOUBRQ-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2cscn2)C1 ZINC001271531635 1086674240 /nfs/dbraw/zinc/67/42/40/1086674240.db2.gz NXCJPEFZNIVGEJ-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)NCc2cnc(C)o2)C1 ZINC001271634740 1086692180 /nfs/dbraw/zinc/69/21/80/1086692180.db2.gz IAHLCAKGEAVKII-HOCLYGCPSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C=C/c2ccco2)C1 ZINC001088254756 1086725684 /nfs/dbraw/zinc/72/56/84/1086725684.db2.gz WUUCDVKBRZZZMU-XVJNWHFHSA-N 0 3 322.836 3.406 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC(F)(F)F)C1 ZINC001088271564 1086747797 /nfs/dbraw/zinc/74/77/97/1086747797.db2.gz KDRLURGFCQPIRC-NSHDSACASA-N 0 3 312.763 3.052 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](CC)SC)C1 ZINC001088297113 1086773967 /nfs/dbraw/zinc/77/39/67/1086773967.db2.gz HTHYBAPJKJKBLL-UONOGXRCSA-N 0 3 318.914 3.241 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1C ZINC001271811935 1086778108 /nfs/dbraw/zinc/77/81/08/1086778108.db2.gz AXKGEDFEMWJSGX-HKUYNNGSSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2c(C)ccn2C)C1 ZINC001088303474 1086778612 /nfs/dbraw/zinc/77/86/12/1086778612.db2.gz ZYRJFKBVXBOMOX-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001088307467 1086782461 /nfs/dbraw/zinc/78/24/61/1086782461.db2.gz WTZSTOWXXMMVJP-AGIUHOORSA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(C)CN1CCC(N(Cc2ccccn2)C(=O)C(C)C)CC1 ZINC001271827148 1086784958 /nfs/dbraw/zinc/78/49/58/1086784958.db2.gz QQDUXWSCBRAQQD-UHFFFAOYSA-N 0 3 315.461 3.107 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001088350025 1086846860 /nfs/dbraw/zinc/84/68/60/1086846860.db2.gz LAGFPYDVWSNGFD-BFYDXBDKSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC2CCC1CC2)C(C)C ZINC001271941268 1086849553 /nfs/dbraw/zinc/84/95/53/1086849553.db2.gz NVJLARBAMYUASM-CKUJCDMFSA-N 0 3 312.885 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCc2ccccn2)C1 ZINC001088359570 1086859599 /nfs/dbraw/zinc/85/95/99/1086859599.db2.gz BEWAWNSKQXAUIO-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2occc2C)C1 ZINC001088377676 1086884202 /nfs/dbraw/zinc/88/42/02/1086884202.db2.gz OYFXBMJOTZOESD-OAHLLOKOSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001088383403 1086900346 /nfs/dbraw/zinc/90/03/46/1086900346.db2.gz CUYLWGCCLKLJMM-QWHCGFSZSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cccn2C(C)C)CC1 ZINC001168172156 1087017454 /nfs/dbraw/zinc/01/74/54/1087017454.db2.gz QUQFNVXWFOBMBE-UHFFFAOYSA-N 0 3 323.868 3.311 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(-c2ccco2)s1 ZINC001482639797 1087098561 /nfs/dbraw/zinc/09/85/61/1087098561.db2.gz VQTFMYHDAZEVJH-UHFFFAOYSA-N 0 3 316.426 3.035 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC001482645071 1087099875 /nfs/dbraw/zinc/09/98/75/1087099875.db2.gz GNGZHSWYDXEHNI-QGZVFWFLSA-N 0 3 314.473 3.148 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2coc3ccc(C)cc23)[C@H]1C ZINC001088598473 1087123458 /nfs/dbraw/zinc/12/34/58/1087123458.db2.gz RTUBJEKSPJLGCC-PBHICJAKSA-N 0 3 312.413 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1 ZINC001482868278 1087176470 /nfs/dbraw/zinc/17/64/70/1087176470.db2.gz RWHDGJNTOMYOCT-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=CCCC(=O)NC/C=C/CN[C@H]1CCc2ccc(F)cc21 ZINC001482989119 1087221721 /nfs/dbraw/zinc/22/17/21/1087221721.db2.gz SRNXDMGPDSEMMA-BDUNBXCCSA-N 0 3 302.393 3.041 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2c(cccc2F)s1 ZINC001272171803 1087225972 /nfs/dbraw/zinc/22/59/72/1087225972.db2.gz FIGLWQABHTVABB-UHFFFAOYSA-N 0 3 318.417 3.068 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CNCc1ccc(F)c(Cl)c1 ZINC001483003776 1087230000 /nfs/dbraw/zinc/23/00/00/1087230000.db2.gz PZYZQOQCQBWRMQ-WAYWQWQTSA-N 0 3 322.811 3.045 20 30 DGEDHN CCN(CC)Cc1cc(OC)ccc1NC(=N)c1nccs1 ZINC001168284063 1087273949 /nfs/dbraw/zinc/27/39/49/1087273949.db2.gz OKFNIDYDBVFNNG-UHFFFAOYSA-N 0 3 318.446 3.031 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CCc2ccc(C)o2)CC1 ZINC001168307520 1087289386 /nfs/dbraw/zinc/28/93/86/1087289386.db2.gz JZVKJJIBZLMPSC-UHFFFAOYSA-N 0 3 324.852 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)[C@H]1C ZINC001088745228 1087327559 /nfs/dbraw/zinc/32/75/59/1087327559.db2.gz PYBJGWWWLMUZRQ-MNEFBYGVSA-N 0 3 312.457 3.335 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)[C@H]1C ZINC001088748495 1087330883 /nfs/dbraw/zinc/33/08/83/1087330883.db2.gz HWPLTADXUWDCMT-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CCC2)[C@H]1C ZINC001088785621 1087353326 /nfs/dbraw/zinc/35/33/26/1087353326.db2.gz OOKYPGKLZHNNNQ-MJGOQNOKSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3ncccc3s2)[C@H]1C ZINC001088792197 1087356731 /nfs/dbraw/zinc/35/67/31/1087356731.db2.gz ZVIWNTOXTDWPGN-OLZOCXBDSA-N 0 3 315.442 3.065 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483114930 1087358181 /nfs/dbraw/zinc/35/81/81/1087358181.db2.gz UYOKTGHTDKYFSA-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@@H](NCCNC(=O)C#CC(C)(C)C)c1ccc(F)c(Cl)c1 ZINC001126907018 1087389128 /nfs/dbraw/zinc/38/91/28/1087389128.db2.gz BKWCRMWJSACSRK-GFCCVEGCSA-N 0 3 324.827 3.295 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001168366724 1087406805 /nfs/dbraw/zinc/40/68/05/1087406805.db2.gz MLOIFXUUZBXHSV-GPANFISMSA-N 0 3 324.896 3.441 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001483158084 1087408050 /nfs/dbraw/zinc/40/80/50/1087408050.db2.gz HMJBUBDXLXEBFB-CHWSQXEVSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)[C@H]1C ZINC001088834258 1087412636 /nfs/dbraw/zinc/41/26/36/1087412636.db2.gz JDSKUYGIOLHZQY-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001483222544 1087428639 /nfs/dbraw/zinc/42/86/39/1087428639.db2.gz AGFQFZMNZISTCX-GJZGRUSLSA-N 0 3 320.864 3.222 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483334342 1087474091 /nfs/dbraw/zinc/47/40/91/1087474091.db2.gz FJSWKEPPSKUWJY-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2ccncc21 ZINC001483501377 1087516165 /nfs/dbraw/zinc/51/61/65/1087516165.db2.gz SZMJATFSKQMNOT-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001483499986 1087516319 /nfs/dbraw/zinc/51/63/19/1087516319.db2.gz GNNYNXWOGKHBDH-JKSUJKDBSA-N 0 3 315.461 3.179 20 30 DGEDHN C#CCCCC(=O)N[C@H](CN[C@H](C)c1ccccc1F)C1CC1 ZINC001483559095 1087525670 /nfs/dbraw/zinc/52/56/70/1087525670.db2.gz ZVWOCTPPJGKFLL-RDTXWAMCSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120429977 1087578748 /nfs/dbraw/zinc/57/87/48/1087578748.db2.gz FSAFAMQEVADKMO-HOTGVXAUSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)SC ZINC001099021948 1087589816 /nfs/dbraw/zinc/58/98/16/1087589816.db2.gz FNCNJACJAOLBNR-CABCVRRESA-N 0 3 312.523 3.311 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)[C@H]1C ZINC001088926858 1087606039 /nfs/dbraw/zinc/60/60/39/1087606039.db2.gz XCYBWBWZPWDWHK-WBMJQRKESA-N 0 3 322.836 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)[C@H]1C ZINC001088988670 1087615844 /nfs/dbraw/zinc/61/58/44/1087615844.db2.gz JSAWXQBLGMFSEC-PBHICJAKSA-N 0 3 318.436 3.258 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)[C@H]1C ZINC001089012790 1087619850 /nfs/dbraw/zinc/61/98/50/1087619850.db2.gz NMTQFYHPZTYMJY-URGYJCLVSA-N 0 3 314.420 3.213 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2CCC(C(C)(C)C)CC2)[C@H]1C ZINC001089018436 1087622072 /nfs/dbraw/zinc/62/20/72/1087622072.db2.gz JALGBYIHZTVZPO-CPFNUKBASA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001483670460 1087622256 /nfs/dbraw/zinc/62/22/56/1087622256.db2.gz OXXOOJGLUCESNF-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)[C@H]1C ZINC001089050723 1087627723 /nfs/dbraw/zinc/62/77/23/1087627723.db2.gz OMBSSLQFQCIYAO-AHIWAGSCSA-N 0 3 322.399 3.223 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H]1C ZINC001089061205 1087629091 /nfs/dbraw/zinc/62/90/91/1087629091.db2.gz BZYPDMGQHVGHPL-AEFFLSMTSA-N 0 3 312.457 3.182 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3c2cccc3CC)[C@H]1C ZINC001089061450 1087629118 /nfs/dbraw/zinc/62/91/18/1087629118.db2.gz UBFMHWBUIVGWPT-DYVFJYSZSA-N 0 3 311.429 3.109 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2C)[C@H]1C ZINC001089077777 1087632614 /nfs/dbraw/zinc/63/26/14/1087632614.db2.gz YBXZBQGCUKGCBX-AEFFLSMTSA-N 0 3 314.473 3.428 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001483692537 1087666132 /nfs/dbraw/zinc/66/61/32/1087666132.db2.gz BSMTZXIRNAEWKI-QGZVFWFLSA-N 0 3 300.446 3.039 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H]1CCN1CCC(C)C)c1ccccc1 ZINC001483704126 1087679681 /nfs/dbraw/zinc/67/96/81/1087679681.db2.gz FPBYUYXGSIUMOZ-ROUUACIJSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001272456293 1087711704 /nfs/dbraw/zinc/71/17/04/1087711704.db2.gz DHFNYTDKXKRRLA-STQMWFEESA-N 0 3 320.811 3.003 20 30 DGEDHN CCCCCCCCN1CCC[C@]12CCN([C@@H](C)C(C)=O)C2=O ZINC001272478800 1087726200 /nfs/dbraw/zinc/72/62/00/1087726200.db2.gz PVASWGVBGPZJCM-QFBILLFUSA-N 0 3 322.493 3.391 20 30 DGEDHN C=CCN1c2ccccc2[C@]2(CCN(CCC(F)(F)F)C2)C1=O ZINC001272502156 1087759718 /nfs/dbraw/zinc/75/97/18/1087759718.db2.gz HXDTURZUMQGOST-MRXNPFEDSA-N 0 3 324.346 3.115 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001099178419 1087777084 /nfs/dbraw/zinc/77/70/84/1087777084.db2.gz ACCUDQSDQKPSDK-WIUGKXBGSA-N 0 3 304.478 3.215 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001122042693 1087787490 /nfs/dbraw/zinc/78/74/90/1087787490.db2.gz MIONTKQBFIIUAR-IXDOHACOSA-N 0 3 310.482 3.138 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CCC)OCC ZINC001099181672 1087787991 /nfs/dbraw/zinc/78/79/91/1087787991.db2.gz BMNRYBAGMQPTQI-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(=C)C ZINC001158369801 1087796082 /nfs/dbraw/zinc/79/60/82/1087796082.db2.gz LURUCVQYFCKZCT-QZTJIDSGSA-N 0 3 322.493 3.104 20 30 DGEDHN CC(C)(C)CC(C)(C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001151938191 1087832041 /nfs/dbraw/zinc/83/20/41/1087832041.db2.gz FFEYSGMHCKEUHS-UHFFFAOYSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106193203 1087873961 /nfs/dbraw/zinc/87/39/61/1087873961.db2.gz CUWXWEYLYDJPJB-PETVBWCUSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccccc1C ZINC001158521714 1087888859 /nfs/dbraw/zinc/88/88/59/1087888859.db2.gz AYOBQJBYEVUMOU-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C[C@@H]1CN(c2cc(CC#N)ccn2)[C@H](C)CN1Cc1ccccc1 ZINC001158523092 1087891813 /nfs/dbraw/zinc/89/18/13/1087891813.db2.gz FWCMBZSBTHZRFV-IAGOWNOFSA-N 0 3 320.440 3.247 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2sccc2[nH]1 ZINC001158689447 1087983401 /nfs/dbraw/zinc/98/34/01/1087983401.db2.gz JCCIRPGJYHMEFX-CYBMUJFWSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001158764432 1088016237 /nfs/dbraw/zinc/01/62/37/1088016237.db2.gz SXEWROFQLAXHDD-CEXWTWQISA-N 0 3 312.457 3.289 20 30 DGEDHN N#Cc1ccc(CNCCNC(=O)CCCC2CCCC2)cc1 ZINC001152685023 1088047160 /nfs/dbraw/zinc/04/71/60/1088047160.db2.gz YGFAEZAUIARDMV-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN CC1(C)CCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001152910408 1088109206 /nfs/dbraw/zinc/10/92/06/1088109206.db2.gz IRWICPHWCJIQFO-HNNXBMFYSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(CCC)s1 ZINC001158965919 1088119132 /nfs/dbraw/zinc/11/91/32/1088119132.db2.gz MONAMJKDDARGKK-UHFFFAOYSA-N 0 3 300.855 3.163 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](OC)C1CCCCC1 ZINC001158976656 1088120413 /nfs/dbraw/zinc/12/04/13/1088120413.db2.gz HZFZVJRFVFQWHN-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCC1(C(=O)NCCNCc2cccc(F)c2)CCCCC1 ZINC001153009817 1088138836 /nfs/dbraw/zinc/13/88/36/1088138836.db2.gz VBBJQKOIGYBCCC-UHFFFAOYSA-N 0 3 316.420 3.005 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1c(Cl)cccc1OC ZINC001159032528 1088153658 /nfs/dbraw/zinc/15/36/58/1088153658.db2.gz JTTFJCLNXXYGPS-UHFFFAOYSA-N 0 3 324.852 3.301 20 30 DGEDHN N#Cc1sc(-c2ccc(F)cc2)cc1Nc1ccncc1CN ZINC001159144712 1088205322 /nfs/dbraw/zinc/20/53/22/1088205322.db2.gz JGRRYKONAPWIFK-UHFFFAOYSA-N 0 3 324.384 3.445 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C)nc1C ZINC001153642088 1088317994 /nfs/dbraw/zinc/31/79/94/1088317994.db2.gz PBFOVLPDTBYXBR-MRXNPFEDSA-N 0 3 317.477 3.381 20 30 DGEDHN CC(C)c1ccc(C([O-])=C(C#N)c2ncc(Cl)n2C)cn1 ZINC001123233999 1088365034 /nfs/dbraw/zinc/36/50/34/1088365034.db2.gz QIVCIFUGZAXTKP-LLVKDONJSA-N 0 3 302.765 3.082 20 30 DGEDHN CC(C)c1ccc(C(=O)C(C#N)c2ncc(Cl)n2C)cn1 ZINC001123233999 1088365052 /nfs/dbraw/zinc/36/50/52/1088365052.db2.gz QIVCIFUGZAXTKP-LLVKDONJSA-N 0 3 302.765 3.082 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(C)c(F)c2)CCCC1 ZINC001153813977 1088371227 /nfs/dbraw/zinc/37/12/27/1088371227.db2.gz LBISZACDSRTIQQ-UHFFFAOYSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3c(C)cc(C)cc3C)CC2)C1=O ZINC001272639828 1088377722 /nfs/dbraw/zinc/37/77/22/1088377722.db2.gz OPTRSZLRZFTGGL-UHFFFAOYSA-N 0 3 324.468 3.060 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001483758926 1088536096 /nfs/dbraw/zinc/53/60/96/1088536096.db2.gz QTJDWXUPUNHWQK-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1oc2ccc(F)cc2c1C ZINC001159938631 1088561543 /nfs/dbraw/zinc/56/15/43/1088561543.db2.gz BDMUNDFKDOESJW-UHFFFAOYSA-N 0 3 324.783 3.342 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)CC(C)(C)C1 ZINC001089393010 1088562139 /nfs/dbraw/zinc/56/21/39/1088562139.db2.gz AXGWELMXVXGMLV-ZWKOTPCHSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1coc2ccccc12 ZINC001272667177 1088601953 /nfs/dbraw/zinc/60/19/53/1088601953.db2.gz MSFOZGHHJFKUSR-HXUWFJFHSA-N 0 3 322.408 3.023 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1coc2cc(C)c(C)cc21 ZINC001154477550 1088621802 /nfs/dbraw/zinc/62/18/02/1088621802.db2.gz PEMSQKSSDPRFDE-OAHLLOKOSA-N 0 3 312.413 3.123 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001160106883 1088640060 /nfs/dbraw/zinc/64/00/60/1088640060.db2.gz GDUXGKYCNVGDTO-QGZVFWFLSA-N 0 3 322.493 3.152 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccc(C)cc2)CC1 ZINC001483764865 1088651966 /nfs/dbraw/zinc/65/19/66/1088651966.db2.gz PZQSCYTYUNVCKM-GOSISDBHSA-N 0 3 300.446 3.336 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)CC(C)(C)C1 ZINC001089495484 1088689636 /nfs/dbraw/zinc/68/96/36/1088689636.db2.gz WXQABSYMMRTKLC-HNNXBMFYSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)CC(C)(C)C1 ZINC001089495485 1088690328 /nfs/dbraw/zinc/69/03/28/1088690328.db2.gz WXQABSYMMRTKLC-OAHLLOKOSA-N 0 3 323.440 3.022 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001160235786 1088715798 /nfs/dbraw/zinc/71/57/98/1088715798.db2.gz KIQVLYPRWKVSDO-GOSISDBHSA-N 0 3 302.462 3.447 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001160242374 1088718371 /nfs/dbraw/zinc/71/83/71/1088718371.db2.gz OUGFMUDAONVNAU-LJQANCHMSA-N 0 3 314.473 3.285 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2)CC(C)(C)C1 ZINC001089545391 1088732977 /nfs/dbraw/zinc/73/29/77/1088732977.db2.gz LMVGIYKMCVCTOS-MRXNPFEDSA-N 0 3 318.848 3.194 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001154747199 1088742022 /nfs/dbraw/zinc/74/20/22/1088742022.db2.gz JYEDPCJIGWRLLH-OAHLLOKOSA-N 0 3 306.475 3.268 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)s2)CC(C)(C)C1 ZINC001089567288 1088755531 /nfs/dbraw/zinc/75/55/31/1088755531.db2.gz XOZNTGJWHMYWGZ-CYBMUJFWSA-N 0 3 322.449 3.131 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1 ZINC001089593373 1088782370 /nfs/dbraw/zinc/78/23/70/1088782370.db2.gz IQONRRDJXUMIRT-QGZVFWFLSA-N 0 3 300.446 3.483 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001089594226 1088785340 /nfs/dbraw/zinc/78/53/40/1088785340.db2.gz ZNJDWHJMOXNEMT-KRWDZBQOSA-N 0 3 316.420 3.069 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C ZINC001089603448 1088804058 /nfs/dbraw/zinc/80/40/58/1088804058.db2.gz REVJLTATVNBCCS-MRXNPFEDSA-N 0 3 300.446 3.401 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1F ZINC001089621612 1088828771 /nfs/dbraw/zinc/82/87/71/1088828771.db2.gz XQXROBLLOKMTAE-CQSZACIVSA-N 0 3 319.424 3.017 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001089619308 1088830278 /nfs/dbraw/zinc/83/02/78/1088830278.db2.gz NMLCWMRRLNGBHF-OAHLLOKOSA-N 0 3 319.424 3.017 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cscc1C ZINC001089623840 1088833427 /nfs/dbraw/zinc/83/34/27/1088833427.db2.gz UCUXIDTWWPJAIT-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001089622069 1088834242 /nfs/dbraw/zinc/83/42/42/1088834242.db2.gz DKVRUUNXTPIQRX-INIZCTEOSA-N 0 3 316.445 3.140 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001089625071 1088842475 /nfs/dbraw/zinc/84/24/75/1088842475.db2.gz JOUKWMNXNSVUQY-INIZCTEOSA-N 0 3 319.424 3.017 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1CC ZINC001089634643 1088858370 /nfs/dbraw/zinc/85/83/70/1088858370.db2.gz DYFNERSLALZWIG-HNNXBMFYSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001089637038 1088860395 /nfs/dbraw/zinc/86/03/95/1088860395.db2.gz JBWPVAQAMFHABP-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001089645809 1088876118 /nfs/dbraw/zinc/87/61/18/1088876118.db2.gz AJBVUZDWWFUSPF-SFHVURJKSA-N 0 3 314.473 3.468 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccns1 ZINC001089649984 1088911097 /nfs/dbraw/zinc/91/10/97/1088911097.db2.gz QSQTZUAUFSJVPC-CQSZACIVSA-N 0 3 321.490 3.330 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001483832947 1088934892 /nfs/dbraw/zinc/93/48/92/1088934892.db2.gz QUOQQGSXKDEXBM-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC001160772609 1088952261 /nfs/dbraw/zinc/95/22/61/1088952261.db2.gz JLAINQLLVNVOHA-UHFFFAOYSA-N 0 3 324.468 3.431 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(C)cc(F)cc2C)CC1 ZINC001160835749 1088987289 /nfs/dbraw/zinc/98/72/89/1088987289.db2.gz IZKXDZLLLJDRDC-UHFFFAOYSA-N 0 3 316.420 3.381 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CN[C@H](C)c1ccccc1F ZINC001483927846 1089030883 /nfs/dbraw/zinc/03/08/83/1089030883.db2.gz QELXRAWNKBANQB-CVEARBPZSA-N 0 3 316.420 3.271 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nnc(Cl)c2ccsc21 ZINC001160952955 1089039082 /nfs/dbraw/zinc/03/90/82/1089039082.db2.gz KLTDIRLQGSAMLY-JTQLQIEISA-N 0 3 308.838 3.407 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(SC)nc2sccc21 ZINC001160953151 1089039179 /nfs/dbraw/zinc/03/91/79/1089039179.db2.gz TWPFXLPQYJFWPT-NSHDSACASA-N 0 3 320.487 3.476 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nccc(-c2ccc(F)cc2)n1 ZINC001160952778 1089039375 /nfs/dbraw/zinc/03/93/75/1089039375.db2.gz ALMZFDFYTHJMDB-INIZCTEOSA-N 0 3 312.392 3.345 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC1(C)C)C1CCN(Cc2ccccc2)CC1 ZINC001483982919 1089059849 /nfs/dbraw/zinc/05/98/49/1089059849.db2.gz KDBBQCIIXDTHEA-LJQANCHMSA-N 0 3 324.468 3.159 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001483974315 1089062607 /nfs/dbraw/zinc/06/26/07/1089062607.db2.gz YUBQRQFNJWHGLF-INIZCTEOSA-N 0 3 310.457 3.452 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001483977250 1089063255 /nfs/dbraw/zinc/06/32/55/1089063255.db2.gz WKBBIDMISGRMIH-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001089669193 1089078098 /nfs/dbraw/zinc/07/80/98/1089078098.db2.gz IKAGNBPAOAOFPO-BZUAXINKSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNC[C@H](F)CC)C2CCCC2)C1 ZINC001484009132 1089093705 /nfs/dbraw/zinc/09/37/05/1089093705.db2.gz KQXBWSLAIJTXRG-HZPDHXFCSA-N 0 3 310.457 3.355 20 30 DGEDHN Cc1cc(NC2CCN(Cc3ccc(O)cc3)CC2)ncc1C#N ZINC001161130793 1089128877 /nfs/dbraw/zinc/12/88/77/1089128877.db2.gz CGKIHSYBTGOSCJ-UHFFFAOYSA-N 0 3 322.412 3.044 20 30 DGEDHN Cc1ccnc(NC2CCN(Cc3ccc(O)cc3)CC2)c1C#N ZINC001161131097 1089130052 /nfs/dbraw/zinc/13/00/52/1089130052.db2.gz QDFAXYKDCWBCSS-UHFFFAOYSA-N 0 3 322.412 3.044 20 30 DGEDHN Cc1ccc(C#N)c(NC2CCN(Cc3ccc(O)cc3)CC2)n1 ZINC001161131687 1089130529 /nfs/dbraw/zinc/13/05/29/1089130529.db2.gz URAWZSNPTQTZLN-UHFFFAOYSA-N 0 3 322.412 3.044 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001155485305 1089131751 /nfs/dbraw/zinc/13/17/51/1089131751.db2.gz YXZFBCLVGQZDEB-CQSZACIVSA-N 0 3 318.461 3.349 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001484059111 1089140092 /nfs/dbraw/zinc/14/00/92/1089140092.db2.gz PXCDEPFBUZRCGP-KRWDZBQOSA-N 0 3 324.827 3.178 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001155546990 1089154937 /nfs/dbraw/zinc/15/49/37/1089154937.db2.gz LNZJIYOCWGUHIQ-MJGOQNOKSA-N 0 3 314.473 3.105 20 30 DGEDHN N#CCc1cnc(N[C@@H]2CNCc3ccsc32)c(Cl)c1 ZINC001155564866 1089167403 /nfs/dbraw/zinc/16/74/03/1089167403.db2.gz IXMUAWBSMOGCEL-GFCCVEGCSA-N 0 3 304.806 3.119 20 30 DGEDHN C=CCCC(=O)NCCCNCc1nc2cc(C)ccc2s1 ZINC001155587039 1089175946 /nfs/dbraw/zinc/17/59/46/1089175946.db2.gz VGBUMTPVKBJXDQ-UHFFFAOYSA-N 0 3 317.458 3.167 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001089690991 1089183020 /nfs/dbraw/zinc/18/30/20/1089183020.db2.gz HUVJMQFPEVNCIW-GFCCVEGCSA-N 0 3 309.841 3.075 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)ccc2F)CC1 ZINC001161320370 1089191505 /nfs/dbraw/zinc/19/15/05/1089191505.db2.gz JOPJQFBBIIHWNB-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC001484108094 1089194669 /nfs/dbraw/zinc/19/46/69/1089194669.db2.gz NCIDCBFDFZWBAZ-PBHICJAKSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001089702733 1089229603 /nfs/dbraw/zinc/22/96/03/1089229603.db2.gz CMXGIAKEIFNJKE-HNNXBMFYSA-N 0 3 303.450 3.038 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001484173809 1089254159 /nfs/dbraw/zinc/25/41/59/1089254159.db2.gz HXPPHDOHRBXYMT-FQEVSTJZSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001089708705 1089276865 /nfs/dbraw/zinc/27/68/65/1089276865.db2.gz LDNOTEIDGLPTRM-IXDOHACOSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001484198078 1089286443 /nfs/dbraw/zinc/28/64/43/1089286443.db2.gz FVMLUCOKOHGZKL-HIFRSBDPSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001484320981 1089327969 /nfs/dbraw/zinc/32/79/69/1089327969.db2.gz YXNKFPUHEXYTKK-UGJSGUFQSA-N 0 3 310.869 3.310 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C(C)(C)CC(F)(F)F)CC1 ZINC001161655734 1089334298 /nfs/dbraw/zinc/33/42/98/1089334298.db2.gz MQVWNCBBUWRTGL-UHFFFAOYSA-N 0 3 318.383 3.289 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1CC ZINC001484324325 1089336521 /nfs/dbraw/zinc/33/65/21/1089336521.db2.gz UALYLZVOPAPBNV-DOADOZAASA-N 0 3 324.468 3.065 20 30 DGEDHN C=CC(C)(C)CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC001161683576 1089345347 /nfs/dbraw/zinc/34/53/47/1089345347.db2.gz IJYSQXTXCYZIMZ-QGZVFWFLSA-N 0 3 318.461 3.453 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(CC)CC)C1 ZINC001089774264 1089376906 /nfs/dbraw/zinc/37/69/06/1089376906.db2.gz WTPMKOCZKPOHEM-QAETUUGQSA-N 0 3 324.896 3.344 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC12CCCC2 ZINC001272682116 1089376991 /nfs/dbraw/zinc/37/69/91/1089376991.db2.gz HVDASJKXGNRXAY-IBGZPJMESA-N 0 3 324.468 3.338 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccc(CF)cc1 ZINC001484401911 1089403780 /nfs/dbraw/zinc/40/37/80/1089403780.db2.gz XFUDMCYPYJUJFN-UHFFFAOYSA-N 0 3 324.399 3.021 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3c(s2)CCC3)CC1 ZINC001161817722 1089422222 /nfs/dbraw/zinc/42/22/22/1089422222.db2.gz CTLLSBVCIBIDNB-UHFFFAOYSA-N 0 3 316.470 3.175 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(Cl)s2)CC1 ZINC001161818160 1089422565 /nfs/dbraw/zinc/42/25/65/1089422565.db2.gz PPDPVFBCCRSMFE-UHFFFAOYSA-N 0 3 322.861 3.177 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001161918620 1089469878 /nfs/dbraw/zinc/46/98/78/1089469878.db2.gz BQPKOPVARNZKNZ-LJQANCHMSA-N 0 3 302.462 3.447 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2=CCCCCC2)cc1 ZINC001484559988 1089494966 /nfs/dbraw/zinc/49/49/66/1089494966.db2.gz WMYMWOHGSPBANE-INIZCTEOSA-N 0 3 310.441 3.477 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@H](C)SC ZINC001484555777 1089496774 /nfs/dbraw/zinc/49/67/74/1089496774.db2.gz XQFHAGLAPVNHLR-AWEZNQCLSA-N 0 3 306.475 3.062 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1(CCF)CC1 ZINC001484556393 1089499276 /nfs/dbraw/zinc/49/92/76/1089499276.db2.gz UPVNEJWVBZVVIW-UHFFFAOYSA-N 0 3 304.409 3.060 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(C)CC(F)(F)C2)cc1 ZINC001484562793 1089506944 /nfs/dbraw/zinc/50/69/44/1089506944.db2.gz GPIHCOXMHKCLFR-CYBMUJFWSA-N 0 3 320.383 3.022 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(C)c(F)c3)CC2)C1=O ZINC001272685467 1089525483 /nfs/dbraw/zinc/52/54/83/1089525483.db2.gz AHZZWTKCIAEFDF-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3sccc3Cl)C2)C1=O ZINC001272687549 1089571618 /nfs/dbraw/zinc/57/16/18/1089571618.db2.gz SOMUKENZLCBRRI-OAHLLOKOSA-N 0 3 310.850 3.012 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001212340113 1089587268 /nfs/dbraw/zinc/58/72/68/1089587268.db2.gz BBZCXJWOWRBPPJ-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001484714595 1089605894 /nfs/dbraw/zinc/60/58/94/1089605894.db2.gz DLFNQZKYXLGINB-BDJZEXMMSA-N 0 3 310.869 3.478 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC(C)(C)CC(F)(F)F ZINC001156617761 1089614631 /nfs/dbraw/zinc/61/46/31/1089614631.db2.gz RBRFOHSRYSUHJX-CYBMUJFWSA-N 0 3 320.399 3.205 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(C2CCCCC2)CC1 ZINC001156623250 1089615555 /nfs/dbraw/zinc/61/55/55/1089615555.db2.gz BNVBMUCQCAJRCS-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1ccc(C)cc1 ZINC001156667842 1089632447 /nfs/dbraw/zinc/63/24/47/1089632447.db2.gz HBCUGJQYGYKPOI-UHFFFAOYSA-N 0 3 302.462 3.284 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001484770740 1089671781 /nfs/dbraw/zinc/67/17/81/1089671781.db2.gz JMWTVOVMQUEDTA-IAGOWNOFSA-N 0 3 310.457 3.263 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCCN(CCF)C2)C1 ZINC001484770739 1089672149 /nfs/dbraw/zinc/67/21/49/1089672149.db2.gz JMWTVOVMQUEDTA-DLBZAZTESA-N 0 3 310.457 3.263 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccoc2CC)cc1 ZINC001272691220 1089712488 /nfs/dbraw/zinc/71/24/88/1089712488.db2.gz JJNGGTFSJDGCPS-HNNXBMFYSA-N 0 3 324.424 3.446 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001484940133 1089773070 /nfs/dbraw/zinc/77/30/70/1089773070.db2.gz BERAAROCEVUPNU-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001484941420 1089776685 /nfs/dbraw/zinc/77/66/85/1089776685.db2.gz HUPBUIHJFYMKRD-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(CCC)cc1 ZINC001484997809 1089820627 /nfs/dbraw/zinc/82/06/27/1089820627.db2.gz LIKRACMRMRCTFY-AWEZNQCLSA-N 0 3 308.853 3.490 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C(C)(C)C(C)C ZINC001484993318 1089835260 /nfs/dbraw/zinc/83/52/60/1089835260.db2.gz VBLJDEHVNUSNBP-LBPRGKRZSA-N 0 3 319.287 3.062 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2cc(C)ccc2o1 ZINC001157138300 1089836777 /nfs/dbraw/zinc/83/67/77/1089836777.db2.gz SOYYIEFWXBUMSA-OAHLLOKOSA-N 0 3 312.413 3.205 20 30 DGEDHN CCCCCN1CCc2ccccc2[C@@H]1CNC(=O)C#CC1CC1 ZINC001485005338 1089845926 /nfs/dbraw/zinc/84/59/26/1089845926.db2.gz YQVHEYPUHKFXGC-FQEVSTJZSA-N 0 3 324.468 3.306 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H]2CN(C)CCOCCCC)C1 ZINC001485070139 1089906590 /nfs/dbraw/zinc/90/65/90/1089906590.db2.gz WHQOEFMTOJPXKO-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCC[C@@H](C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001157378205 1089934381 /nfs/dbraw/zinc/93/43/81/1089934381.db2.gz GHVXTDCEVVJJKS-CQSZACIVSA-N 0 3 319.424 3.120 20 30 DGEDHN CCCC[C@H](C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001157378100 1089934727 /nfs/dbraw/zinc/93/47/27/1089934727.db2.gz CUYRLVXDYUWYLR-AWEZNQCLSA-N 0 3 319.424 3.120 20 30 DGEDHN COc1ccc(-n2c3ccccc3nc2[C@@H](C)N)c(CC#N)c1 ZINC001162776943 1089950223 /nfs/dbraw/zinc/95/02/23/1089950223.db2.gz GRQBGPVJIGTPEZ-GFCCVEGCSA-N 0 3 306.369 3.120 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C(C)=C1CCC1 ZINC001162806646 1089966401 /nfs/dbraw/zinc/96/64/01/1089966401.db2.gz GIUXAWXXFXAZIZ-UHFFFAOYSA-N 0 3 324.468 3.171 20 30 DGEDHN C[C@@H](NC(=O)CCC1CCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001485133362 1089967846 /nfs/dbraw/zinc/96/78/46/1089967846.db2.gz GZZTWGWLZHUWBS-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485155015 1089992223 /nfs/dbraw/zinc/99/22/23/1089992223.db2.gz ZWUKPSSOXYSLLN-HZPDHXFCSA-N 0 3 316.420 3.016 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485181079 1090007563 /nfs/dbraw/zinc/00/75/63/1090007563.db2.gz JGBHXXQUDVSHST-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157648177 1090056738 /nfs/dbraw/zinc/05/67/38/1090056738.db2.gz DEYLJZKKWZRNFC-QZTJIDSGSA-N 0 3 322.493 3.247 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)C ZINC001157669794 1090067307 /nfs/dbraw/zinc/06/73/07/1090067307.db2.gz ZKCKXDCAAYEDTA-ZWKOTPCHSA-N 0 3 324.509 3.184 20 30 DGEDHN N#Cc1nc(N[C@H]2CNCc3ccsc32)ccc1C(F)(F)F ZINC001163220582 1090120972 /nfs/dbraw/zinc/12/09/72/1090120972.db2.gz SXDIVRGFHXSRCA-NSHDSACASA-N 0 3 324.331 3.290 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001485361882 1090124503 /nfs/dbraw/zinc/12/45/03/1090124503.db2.gz AAUQIKZLHOFYQJ-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)CC ZINC001089849337 1090136095 /nfs/dbraw/zinc/13/60/95/1090136095.db2.gz BPLTXCJEBKKTPW-JONQDZQNSA-N 0 3 324.896 3.344 20 30 DGEDHN CCCN(CCN1CCCCC1)c1nc(C#N)c(Cl)s1 ZINC001163279103 1090138633 /nfs/dbraw/zinc/13/86/33/1090138633.db2.gz YLFISWSQZPUNPM-UHFFFAOYSA-N 0 3 312.870 3.370 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(C)c1F ZINC001157982177 1090164556 /nfs/dbraw/zinc/16/45/56/1090164556.db2.gz QDKSBHAPMAKASH-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](CCCC)CNCC#Cc1ccccc1 ZINC001485463965 1090165996 /nfs/dbraw/zinc/16/59/96/1090165996.db2.gz QJULFCUAAJZERG-QPUGPGLDSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC001158191022 1090198077 /nfs/dbraw/zinc/19/80/77/1090198077.db2.gz RCRZBYBUGJLXKL-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCC[C@H]2CC)C1 ZINC001485688325 1090241104 /nfs/dbraw/zinc/24/11/04/1090241104.db2.gz FIJJURPXOHWDMP-ANQUJSFKSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(CF)cc1 ZINC001485751520 1090266549 /nfs/dbraw/zinc/26/65/49/1090266549.db2.gz NYGDUPUOKIUGII-ZDUSSCGKSA-N 0 3 312.816 3.397 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCc2ccccc2)cc1 ZINC001272702130 1090297983 /nfs/dbraw/zinc/29/79/83/1090297983.db2.gz ZMTOMELFUPSHQW-KRWDZBQOSA-N 0 3 320.436 3.219 20 30 DGEDHN CC#CCCCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001164262351 1090389044 /nfs/dbraw/zinc/38/90/44/1090389044.db2.gz BIQUIAMTIQBSPK-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN CC#CCCCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001164268131 1090390949 /nfs/dbraw/zinc/39/09/49/1090390949.db2.gz APLWVVCWQZBXAA-AWEZNQCLSA-N 0 3 322.399 3.315 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccoc2CC)CC1 ZINC001164343431 1090405843 /nfs/dbraw/zinc/40/58/43/1090405843.db2.gz RJBKCEKXPXTZSJ-UHFFFAOYSA-N 0 3 310.825 3.084 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cs2)C1 ZINC001098825432 1090466274 /nfs/dbraw/zinc/46/62/74/1090466274.db2.gz AZZXQOSPACZICU-YOEHRIQHSA-N 0 3 304.459 3.217 20 30 DGEDHN C[C@H]1CN(c2cc(CC#N)ccn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201074 1090479335 /nfs/dbraw/zinc/47/93/35/1090479335.db2.gz FWCMBZSBTHZRFV-IRXDYDNUSA-N 0 3 320.440 3.247 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C(CCC)CCC ZINC001165309675 1090493093 /nfs/dbraw/zinc/49/30/93/1090493093.db2.gz HWQJSLGQAGSDMX-UHFFFAOYSA-N 0 3 319.287 3.207 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850521 1090514820 /nfs/dbraw/zinc/51/48/20/1090514820.db2.gz LJVADWBRXLBOJL-VQIMIIECSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1ccn(C(CC)CC)n1 ZINC001165542797 1090529014 /nfs/dbraw/zinc/52/90/14/1090529014.db2.gz LRBGZZCJYWAZPD-UHFFFAOYSA-N 0 3 320.481 3.196 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001165702838 1090540565 /nfs/dbraw/zinc/54/05/65/1090540565.db2.gz GACOBGGTBAFCPQ-HNNXBMFYSA-N 0 3 310.869 3.361 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(Cl)c(C)c1 ZINC001165722203 1090542054 /nfs/dbraw/zinc/54/20/54/1090542054.db2.gz UXYRMFLDRLHOGV-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C23CCC(CC2)C3)CC1 ZINC001165756436 1090545325 /nfs/dbraw/zinc/54/53/25/1090545325.db2.gz ICDBARQPCCUMMW-UHFFFAOYSA-N 0 3 310.869 3.195 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001272756574 1090547981 /nfs/dbraw/zinc/54/79/81/1090547981.db2.gz STEJLVLFZSMLOR-SHTZXODSSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCCCC)CC2(CCOCC2)C1 ZINC001099596523 1090555797 /nfs/dbraw/zinc/55/57/97/1090555797.db2.gz FWTYHRNWMVFRNG-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCCC1(C(=O)NCCCNCc2ccccc2C#N)CC1 ZINC001165895193 1090558121 /nfs/dbraw/zinc/55/81/21/1090558121.db2.gz HVNDGJPFQCOCIR-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001107965555 1090573229 /nfs/dbraw/zinc/57/32/29/1090573229.db2.gz ZHQPWBWUKUMTRM-VQIMIIECSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCNCc2c(F)cccc2Cl)C1 ZINC001166245555 1090591995 /nfs/dbraw/zinc/59/19/95/1090591995.db2.gz HKFACJNNMOCPBT-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001166350410 1090598002 /nfs/dbraw/zinc/59/80/02/1090598002.db2.gz KJESSCVFLOPKMG-MIFYACCESA-N 0 3 310.869 3.051 20 30 DGEDHN C=C(C)CCC(=O)NC[C@]1(C)CN(CC2CCCCC2)CCO1 ZINC001107976967 1090607371 /nfs/dbraw/zinc/60/73/71/1090607371.db2.gz YEACCIALAVZZPP-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001166545520 1090618492 /nfs/dbraw/zinc/61/84/92/1090618492.db2.gz NWJLQLUUIXRNSG-UHFFFAOYSA-N 0 3 315.461 3.060 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCNCc1ccc(C)c(F)c1 ZINC001128085617 1090645984 /nfs/dbraw/zinc/64/59/84/1090645984.db2.gz XKSSVRLRYCDBIR-UHFFFAOYSA-N 0 3 304.409 3.108 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001166769897 1090654491 /nfs/dbraw/zinc/65/44/91/1090654491.db2.gz FYHPGZBJEBBABL-UHFFFAOYSA-N 0 3 323.868 3.380 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2occc2c1 ZINC001272880944 1090666284 /nfs/dbraw/zinc/66/62/84/1090666284.db2.gz UAAOHKVBEOOABZ-IAGOWNOFSA-N 0 3 310.397 3.184 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(C)C)nc1CC ZINC001166866848 1090670477 /nfs/dbraw/zinc/67/04/77/1090670477.db2.gz WURZSJPWWIXUOI-UHFFFAOYSA-N 0 3 323.868 3.229 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C=C(/C)C3CC3)cccc2C1 ZINC001272908744 1090677553 /nfs/dbraw/zinc/67/75/53/1090677553.db2.gz CAKLLVCDLBWOGO-SSZFMOIBSA-N 0 3 322.452 3.041 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc3ccccc3c2)C1=O ZINC001272925755 1090693557 /nfs/dbraw/zinc/69/35/57/1090693557.db2.gz LKCDZCWGSINCBQ-OAQYLSRUSA-N 0 3 318.420 3.040 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O ZINC001272935611 1090705794 /nfs/dbraw/zinc/70/57/94/1090705794.db2.gz AYIVEZQPJOQQSK-UHFFFAOYSA-N 0 3 304.459 3.139 20 30 DGEDHN CC(C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001486099158 1090747312 /nfs/dbraw/zinc/74/73/12/1090747312.db2.gz CCJDGDHTXVQVLV-UONOGXRCSA-N 0 3 319.474 3.135 20 30 DGEDHN C=CC(C)(C)CCCNCc1cn(-c2ccc(F)cc2)nn1 ZINC001203571455 1090758485 /nfs/dbraw/zinc/75/84/85/1090758485.db2.gz IDVOXBQXQBNSNJ-UHFFFAOYSA-N 0 3 302.397 3.488 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2c3ccccc3oc2CC)C1 ZINC001486133617 1090758641 /nfs/dbraw/zinc/75/86/41/1090758641.db2.gz FEUCBZYJMUAFDF-LSDHHAIUSA-N 0 3 324.424 3.211 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001486135575 1090759519 /nfs/dbraw/zinc/75/95/19/1090759519.db2.gz QGBXJELKIJUODT-SJLPKXTDSA-N 0 3 306.494 3.297 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001486135572 1090759658 /nfs/dbraw/zinc/75/96/58/1090759658.db2.gz QGBXJELKIJUODT-AEFFLSMTSA-N 0 3 306.494 3.297 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(C)cc2)[C@@H]1C ZINC001486175081 1090776194 /nfs/dbraw/zinc/77/61/94/1090776194.db2.gz BMTSHIKOYGEHSM-WMZOPIPTSA-N 0 3 300.446 3.083 20 30 DGEDHN N#Cc1cccc(CN2CCC3(CC2)OC(=O)c2ccccc23)c1 ZINC001203760534 1090798923 /nfs/dbraw/zinc/79/89/23/1090798923.db2.gz LLRPUWNDGNRVMS-UHFFFAOYSA-N 0 3 318.376 3.220 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@H](COC)C(C)C ZINC001203810946 1090810812 /nfs/dbraw/zinc/81/08/12/1090810812.db2.gz YGJPEKVNRLMAPK-CQSZACIVSA-N 0 3 309.837 3.360 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Cc1ccccc1)C(C)C ZINC001486380606 1090816466 /nfs/dbraw/zinc/81/64/66/1090816466.db2.gz MUYFHJCDOHYWLO-KRWDZBQOSA-N 0 3 302.462 3.220 20 30 DGEDHN CC(C)CC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001486383961 1090819781 /nfs/dbraw/zinc/81/97/81/1090819781.db2.gz QJQYMIVNDXHVGP-SFHVURJKSA-N 0 3 314.473 3.205 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CC2)OC(=O)c2ccccc23)cc1 ZINC001203903623 1090834357 /nfs/dbraw/zinc/83/43/57/1090834357.db2.gz JLAKHCWVWDIRTD-UHFFFAOYSA-N 0 3 318.376 3.220 20 30 DGEDHN CCCc1noc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC001203905219 1090835230 /nfs/dbraw/zinc/83/52/30/1090835230.db2.gz XOPXORNQUGYFFM-INIZCTEOSA-N 0 3 310.401 3.273 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001486440531 1090839820 /nfs/dbraw/zinc/83/98/20/1090839820.db2.gz RFOMKYGKJZOCJY-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3c[nH]c4ccccc34)C2)C1=O ZINC001204046032 1090882679 /nfs/dbraw/zinc/88/26/79/1090882679.db2.gz VZFFZXSQTGLBCF-FQEVSTJZSA-N 0 3 323.440 3.168 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001276439812 1090896952 /nfs/dbraw/zinc/89/69/52/1090896952.db2.gz LDEQJNBHDVRKER-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001128241691 1090921894 /nfs/dbraw/zinc/92/18/94/1090921894.db2.gz BGPAQOBYPDGJED-UHFFFAOYSA-N 0 3 317.477 3.322 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001128242515 1090924366 /nfs/dbraw/zinc/92/43/66/1090924366.db2.gz RYSOCNLGGMVJRC-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279575 1090939525 /nfs/dbraw/zinc/93/95/25/1090939525.db2.gz BNJMYCKJEFQVFW-KRWDZBQOSA-N 0 3 324.380 3.013 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279575 1090939530 /nfs/dbraw/zinc/93/95/30/1090939530.db2.gz BNJMYCKJEFQVFW-KRWDZBQOSA-N 0 3 324.380 3.013 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(CC)cc2)C1=O ZINC001272971398 1090943495 /nfs/dbraw/zinc/94/34/95/1090943495.db2.gz HZTOYKXCMQBGQB-FQEVSTJZSA-N 0 3 312.457 3.392 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCCN(Cc2ccccc2C#N)C1 ZINC001204368581 1090957970 /nfs/dbraw/zinc/95/79/70/1090957970.db2.gz QRADKWBGVLEDJO-SFHVURJKSA-N 0 3 300.402 3.114 20 30 DGEDHN C=CCN1c2ccccc2C2(CCN(Cc3ccoc3)CC2)C1=O ZINC001272982311 1090960417 /nfs/dbraw/zinc/96/04/17/1090960417.db2.gz BNZVVFFFHMDOCN-UHFFFAOYSA-N 0 3 322.408 3.346 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(CC)o1)C2 ZINC001204391602 1090961115 /nfs/dbraw/zinc/96/11/15/1090961115.db2.gz RKRWIEPHUAGKMI-IBGZPJMESA-N 0 3 316.445 3.375 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)CCNCc2ccccc2C#N)CC1 ZINC001273001921 1090982344 /nfs/dbraw/zinc/98/23/44/1090982344.db2.gz PCZYOVJGGBROST-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cc(C)cc(C)c2)C1=O ZINC001273006123 1090984052 /nfs/dbraw/zinc/98/40/52/1090984052.db2.gz PBZMZUQUWDNOQU-HXUWFJFHSA-N 0 3 312.457 3.446 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(C)o1 ZINC001273015217 1090996272 /nfs/dbraw/zinc/99/62/72/1090996272.db2.gz VVTWJMIRVMXNIQ-IAGOWNOFSA-N 0 3 302.418 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1csc(C(C)C)n1 ZINC001273076926 1091027520 /nfs/dbraw/zinc/02/75/20/1091027520.db2.gz ZNMSXWYYUCUPGV-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2CCCc2ccc(C)o2)C1=O ZINC001273087596 1091031924 /nfs/dbraw/zinc/03/19/24/1091031924.db2.gz SNULHLGAPLMCMX-LJQANCHMSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC001204898591 1091058552 /nfs/dbraw/zinc/05/85/52/1091058552.db2.gz JHRDUKYSTUDDBN-UHFFFAOYSA-N 0 3 312.413 3.340 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(F)c(C)c1)C2 ZINC001205187189 1091123710 /nfs/dbraw/zinc/12/37/10/1091123710.db2.gz QVHYNGNAQVMWCA-MJGOQNOKSA-N 0 3 319.420 3.460 20 30 DGEDHN Cc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1C ZINC001202819387 1091150883 /nfs/dbraw/zinc/15/08/83/1091150883.db2.gz ZISPBAQWIDVVHG-CQSZACIVSA-N 0 3 302.399 3.109 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C(F)F)o1 ZINC001273151789 1091245389 /nfs/dbraw/zinc/24/53/89/1091245389.db2.gz SDQYFDSRQLYAMG-SECBINFHSA-N 0 3 306.740 3.068 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1[O-] ZINC001138631457 1091262954 /nfs/dbraw/zinc/26/29/54/1091262954.db2.gz SOGAEFFJXPITOJ-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c1[O-] ZINC001138631457 1091262959 /nfs/dbraw/zinc/26/29/59/1091262959.db2.gz SOGAEFFJXPITOJ-SFHVURJKSA-N 0 3 324.424 3.477 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@](C)(C(=O)OC)C1 ZINC001138665522 1091281378 /nfs/dbraw/zinc/28/13/78/1091281378.db2.gz OEHGASGPFXDTKG-LJQANCHMSA-N 0 3 317.429 3.417 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccsc1 ZINC001098869126 1091401978 /nfs/dbraw/zinc/40/19/78/1091401978.db2.gz UHRBFUUZKAPJIE-OAHLLOKOSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001206094861 1091490553 /nfs/dbraw/zinc/49/05/53/1091490553.db2.gz YEIFNPVRPINAKT-UHFFFAOYSA-N 0 3 321.327 3.447 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001084638695 1091524302 /nfs/dbraw/zinc/52/43/02/1091524302.db2.gz NYCDUVFMWWEWKO-TZMCWYRMSA-N 0 3 308.809 3.046 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)CC3CCCC3)[C@@H]2C1 ZINC001084698769 1091539410 /nfs/dbraw/zinc/53/94/10/1091539410.db2.gz IQYFNYVCEVXTGN-CGTJXYLNSA-N 0 3 304.478 3.312 20 30 DGEDHN CCCCCCCN1C[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC001206274743 1091559505 /nfs/dbraw/zinc/55/95/05/1091559505.db2.gz WOZVYWBUXPSNHB-ZIAGYGMSSA-N 0 3 309.479 3.164 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sccc3C3CC3)[C@@H]2C1 ZINC001084811843 1091577116 /nfs/dbraw/zinc/57/71/16/1091577116.db2.gz CDLCZEYCQDNFSP-GDBMZVCRSA-N 0 3 316.470 3.348 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc1F ZINC001139531849 1091590976 /nfs/dbraw/zinc/59/09/76/1091590976.db2.gz XLAUDLRHLQTIHU-ZWKOTPCHSA-N 0 3 319.399 3.096 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCCN(C)C[C@H]1CC ZINC001139628116 1091629053 /nfs/dbraw/zinc/62/90/53/1091629053.db2.gz PAJZHJSJBSZZTR-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN N#Cc1cccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001139704896 1091648376 /nfs/dbraw/zinc/64/83/76/1091648376.db2.gz DDWHCPOTPFICKU-UHFFFAOYSA-N 0 3 303.365 3.303 20 30 DGEDHN N#Cc1cccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001139704896 1091648381 /nfs/dbraw/zinc/64/83/81/1091648381.db2.gz DDWHCPOTPFICKU-UHFFFAOYSA-N 0 3 303.365 3.303 20 30 DGEDHN Cc1cc(O)cc(C)c1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001139714088 1091649852 /nfs/dbraw/zinc/64/98/52/1091649852.db2.gz QOUSXGMPEZQIGS-UHFFFAOYSA-N 0 3 321.424 3.203 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3cccs3)C[C@@H]21 ZINC001085046900 1091650724 /nfs/dbraw/zinc/65/07/24/1091650724.db2.gz JBPDFWSPAPWHKF-UXLLHSPISA-N 0 3 318.486 3.036 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001231024221 1091653750 /nfs/dbraw/zinc/65/37/50/1091653750.db2.gz CAGSSBKBJOFKPY-SJORKVTESA-N 0 3 312.498 3.305 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](F)CC3CCCCC3)C[C@@H]21 ZINC001085075516 1091658908 /nfs/dbraw/zinc/65/89/08/1091658908.db2.gz PKSFLTVFACNFCI-KURKYZTESA-N 0 3 322.468 3.404 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001231130402 1091670294 /nfs/dbraw/zinc/67/02/94/1091670294.db2.gz IKYROBTVOMHKQI-CQSZACIVSA-N 0 3 309.479 3.260 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Oc1ccccc1Cl ZINC001139865797 1091695705 /nfs/dbraw/zinc/69/57/05/1091695705.db2.gz RAASCSFFXDYIJP-CQSZACIVSA-N 0 3 324.852 3.074 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2ccsc2)CC1 ZINC001161205318 1091724360 /nfs/dbraw/zinc/72/43/60/1091724360.db2.gz DJIIJNRFBCPGMJ-CQSZACIVSA-N 0 3 304.459 3.176 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN(CCO)Cc3cccs3)c2c1 ZINC001140113737 1091773387 /nfs/dbraw/zinc/77/33/87/1091773387.db2.gz CJJAKMBKOSSLAH-UHFFFAOYSA-N 0 3 311.410 3.096 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1C ZINC001206884771 1091783576 /nfs/dbraw/zinc/78/35/76/1091783576.db2.gz DXDAJBLUZULWJE-ADRWGQEASA-N 0 3 324.468 3.330 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)noc1CCC ZINC001085593295 1091846301 /nfs/dbraw/zinc/84/63/01/1091846301.db2.gz GKFWZHHFYFTBSJ-OAHLLOKOSA-N 0 3 319.449 3.048 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001085600029 1091850871 /nfs/dbraw/zinc/85/08/71/1091850871.db2.gz IHMFMENCVUHHTH-MRXNPFEDSA-N 0 3 315.461 3.102 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2c1CCCC2 ZINC001085613018 1091856146 /nfs/dbraw/zinc/85/61/46/1091856146.db2.gz GVRAZFWHCYYBBB-KRWDZBQOSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001085642553 1091866778 /nfs/dbraw/zinc/86/67/78/1091866778.db2.gz PHMHXYNSUMKXON-OIAUPDTQSA-N 0 3 316.489 3.168 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001297372735 1091871702 /nfs/dbraw/zinc/87/17/02/1091871702.db2.gz BYUGSXNJPFXXPF-UHFFFAOYSA-N 0 3 315.461 3.349 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654143 1091872259 /nfs/dbraw/zinc/87/22/59/1091872259.db2.gz IWDFEQQVDMGOBS-GOSISDBHSA-N 0 3 315.461 3.147 20 30 DGEDHN C=CCN(CCN1CCC(CF)CC1)C(=O)OC(C)(C)C ZINC001207206567 1091887520 /nfs/dbraw/zinc/88/75/20/1091887520.db2.gz VVWLUMADSGOCGY-UHFFFAOYSA-N 0 3 300.418 3.091 20 30 DGEDHN C=CCN(CCN1CCC[C@@H](CF)C1)C(=O)OC(C)(C)C ZINC001207206178 1091887548 /nfs/dbraw/zinc/88/75/48/1091887548.db2.gz QQPDWEQOSKHDQK-AWEZNQCLSA-N 0 3 300.418 3.091 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c2cccnc12 ZINC001085729982 1091903609 /nfs/dbraw/zinc/90/36/09/1091903609.db2.gz MQIGLQUCUQLNCS-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1C(C)C ZINC001085747741 1091910364 /nfs/dbraw/zinc/91/03/64/1091910364.db2.gz OKYXGDASDYSPAS-MRXNPFEDSA-N 0 3 315.461 3.236 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085748176 1091911558 /nfs/dbraw/zinc/91/15/58/1091911558.db2.gz ZWKHNAZPQVWVOL-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN CN(CCc1c(Cl)ncnc1Cl)Cc1ccc(C#N)cc1 ZINC001207328863 1091927053 /nfs/dbraw/zinc/92/70/53/1091927053.db2.gz VTZKYLCTRAGCQP-UHFFFAOYSA-N 0 3 321.211 3.330 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001085791930 1091937499 /nfs/dbraw/zinc/93/74/99/1091937499.db2.gz WJEVOTRDKRWPAR-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085819164 1091954080 /nfs/dbraw/zinc/95/40/80/1091954080.db2.gz QYHGNFKMMIAKTP-KRWDZBQOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085835917 1091961492 /nfs/dbraw/zinc/96/14/92/1091961492.db2.gz XBTOROWUFHGSAG-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc2ccccc2c1 ZINC001085844347 1091972155 /nfs/dbraw/zinc/97/21/55/1091972155.db2.gz KZRZDNAPPZDDAS-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(OCC)c1 ZINC001085853509 1091981532 /nfs/dbraw/zinc/98/15/32/1091981532.db2.gz AESDLEKAKOFGBB-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2nc(C)ccc2c1 ZINC001085883532 1091995293 /nfs/dbraw/zinc/99/52/93/1091995293.db2.gz GNMJTUQRQDYPEI-GOSISDBHSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085926022 1092016224 /nfs/dbraw/zinc/01/62/24/1092016224.db2.gz MGQMQVLBAWPQLB-OAHLLOKOSA-N 0 3 304.434 3.263 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1OC(C)C ZINC001085937304 1092022278 /nfs/dbraw/zinc/02/22/78/1092022278.db2.gz BHBOFYGIEFDLFJ-INIZCTEOSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C(F)F)c1 ZINC001085936595 1092023584 /nfs/dbraw/zinc/02/35/84/1092023584.db2.gz IJYWLKNUIFXVCM-OAHLLOKOSA-N 0 3 308.372 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943207 1092026548 /nfs/dbraw/zinc/02/65/48/1092026548.db2.gz BNSQBGXEIWVSFC-ZDUSSCGKSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2[nH]ccc2s1 ZINC001085947984 1092036790 /nfs/dbraw/zinc/03/67/90/1092036790.db2.gz YENQOCRUJUCBMT-CYBMUJFWSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001085951447 1092039923 /nfs/dbraw/zinc/03/99/23/1092039923.db2.gz GOPVSZROXGOUAH-WBVHZDCISA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001085952220 1092040100 /nfs/dbraw/zinc/04/01/00/1092040100.db2.gz WFINBZXAYHTWEB-ABHNRTSZSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1OCC ZINC001085954580 1092043034 /nfs/dbraw/zinc/04/30/34/1092043034.db2.gz DUTDVCJGCKEYSL-INIZCTEOSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCN(Cc1ccc(OC)c(N)c1)[C@@H]1CCc2ccccc21 ZINC001140898835 1092054210 /nfs/dbraw/zinc/05/42/10/1092054210.db2.gz CAHQDBDKDZOLBD-LJQANCHMSA-N 0 3 306.409 3.400 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(Cl)cccc1OC ZINC001085985377 1092071674 /nfs/dbraw/zinc/07/16/74/1092071674.db2.gz BDRKFQXHIDPJBB-CYBMUJFWSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950229 1092076759 /nfs/dbraw/zinc/07/67/59/1092076759.db2.gz WLAZMGSCRIYLAT-HKUYNNGSSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950229 1092076764 /nfs/dbraw/zinc/07/67/64/1092076764.db2.gz WLAZMGSCRIYLAT-HKUYNNGSSA-N 0 3 317.429 3.027 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001086001697 1092090119 /nfs/dbraw/zinc/09/01/19/1092090119.db2.gz ODXYZWMCOSRFLA-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001086138832 1092139555 /nfs/dbraw/zinc/13/95/55/1092139555.db2.gz FHOVRZMPYAXNRC-OKILXGFUSA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCC(C)(F)F)C12CCC2 ZINC001203095868 1092142747 /nfs/dbraw/zinc/14/27/47/1092142747.db2.gz VBFOIWLCPAFBGY-VXGBXAGGSA-N 0 3 320.811 3.191 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001086150142 1092144518 /nfs/dbraw/zinc/14/45/18/1092144518.db2.gz UAHOPWKUMPTLOT-OTVXOJSOSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001086165256 1092149488 /nfs/dbraw/zinc/14/94/88/1092149488.db2.gz BYWPGGTYCFANIV-OTVXOJSOSA-N 0 3 324.827 3.293 20 30 DGEDHN CC1(C)CC(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001207966581 1092162177 /nfs/dbraw/zinc/16/21/77/1092162177.db2.gz WKMZRAADOYLVDW-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001207989537 1092168540 /nfs/dbraw/zinc/16/85/40/1092168540.db2.gz QBFDZCXQQMSQOI-CYBMUJFWSA-N 0 3 324.877 3.142 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001086217946 1092168977 /nfs/dbraw/zinc/16/89/77/1092168977.db2.gz GVYHBJXGOJDRES-XBVQOTNRSA-N 0 3 318.848 3.027 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001086279076 1092189961 /nfs/dbraw/zinc/18/99/61/1092189961.db2.gz SRMFIVJYMLAUGN-XTZTZFPZSA-N 0 3 310.869 3.050 20 30 DGEDHN N#Cc1ccc(Oc2ccc(CN3CCC[C@@H](O)C3)cc2)cc1 ZINC001141287321 1092199335 /nfs/dbraw/zinc/19/93/35/1092199335.db2.gz BMMVFTQTHTYQGS-QGZVFWFLSA-N 0 3 308.381 3.307 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001086385667 1092229912 /nfs/dbraw/zinc/22/99/12/1092229912.db2.gz FUJXRURIXFVOCJ-MQMHXKEQSA-N 0 3 322.836 3.009 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001086387399 1092230009 /nfs/dbraw/zinc/23/00/09/1092230009.db2.gz BUEMTIUSTQRWQB-CTYIDZIISA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001086439078 1092253443 /nfs/dbraw/zinc/25/34/43/1092253443.db2.gz PESFSKXIWVLXOI-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001086455557 1092258744 /nfs/dbraw/zinc/25/87/44/1092258744.db2.gz SLKDCAFAAIJYOI-SHTZXODSSA-N 0 3 323.868 3.228 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001208240314 1092286901 /nfs/dbraw/zinc/28/69/01/1092286901.db2.gz LPWBOFDHIQSTSC-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208259118 1092296219 /nfs/dbraw/zinc/29/62/19/1092296219.db2.gz YVTNGSQSJOZZGG-LBPRGKRZSA-N 0 3 305.249 3.242 20 30 DGEDHN C[C@H]1C[C@H](O)CCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141978003 1092374432 /nfs/dbraw/zinc/37/44/32/1092374432.db2.gz WPQRFYBNISBSSF-DOTOQJQBSA-N 0 3 311.450 3.493 20 30 DGEDHN CCC(C)(C)CC(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001492027726 1092374742 /nfs/dbraw/zinc/37/47/42/1092374742.db2.gz HTDJBJDJHAKHOZ-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN CCC(C)(C)CC(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492027727 1092375387 /nfs/dbraw/zinc/37/53/87/1092375387.db2.gz HTDJBJDJHAKHOZ-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2cc(F)ccc2F)C1 ZINC001492081002 1092397194 /nfs/dbraw/zinc/39/71/94/1092397194.db2.gz JEXTWEQXGDKOGC-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001208574858 1092403474 /nfs/dbraw/zinc/40/34/74/1092403474.db2.gz HELYDEJPKOTYEW-IIDMSEBBSA-N 0 3 318.436 3.017 20 30 DGEDHN C[C@@H]1C[C@H](N2CCC[C@@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168863944 1092404055 /nfs/dbraw/zinc/40/40/55/1092404055.db2.gz KXDUIACRRZYABJ-KFWWJZLASA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@@H]1C[C@H](N2CCC[C@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168863943 1092404107 /nfs/dbraw/zinc/40/41/07/1092404107.db2.gz KXDUIACRRZYABJ-ILXRZTDVSA-N 0 3 307.438 3.010 20 30 DGEDHN CC[C@@H](C)CC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001276584576 1092480370 /nfs/dbraw/zinc/48/03/70/1092480370.db2.gz XJKQAXZGCBTUOS-WBMJQRKESA-N 0 3 319.474 3.040 20 30 DGEDHN CN1CCN(CCCc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC001208845806 1092541773 /nfs/dbraw/zinc/54/17/73/1092541773.db2.gz SUESUVHYUPBVCS-NRFANRHFSA-N 0 3 319.452 3.480 20 30 DGEDHN N#Cc1cccc(CCCN2CCN(Cc3ccccc3)CC2)c1 ZINC001208851927 1092544056 /nfs/dbraw/zinc/54/40/56/1092544056.db2.gz NOBWRIFZLKLGHM-UHFFFAOYSA-N 0 3 319.452 3.309 20 30 DGEDHN N#Cc1ccc(CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC001208859467 1092548810 /nfs/dbraw/zinc/54/88/10/1092548810.db2.gz CLDRCXOMQJTWNY-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN Cc1nnc(C2CCN(Cc3c[nH]c4cc(C#N)ccc34)CC2)o1 ZINC001142922802 1092586894 /nfs/dbraw/zinc/58/68/94/1092586894.db2.gz WLQPSCNCUMHEFI-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN C#C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)c1ccccc1 ZINC001143134800 1092619465 /nfs/dbraw/zinc/61/94/65/1092619465.db2.gz AAXQEIWRBQYLCW-GOSISDBHSA-N 0 3 317.392 3.395 20 30 DGEDHN C=CCN(CCN(C)[C@@H](C)c1ccc(OC)cc1)C(=O)OCC ZINC001209021927 1092628043 /nfs/dbraw/zinc/62/80/43/1092628043.db2.gz GJHOSMKHOJLCBO-HNNXBMFYSA-N 0 3 320.433 3.333 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001209146862 1092672082 /nfs/dbraw/zinc/67/20/82/1092672082.db2.gz RJUCJHJAQVNTSY-SJORKVTESA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCN1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001209157684 1092673808 /nfs/dbraw/zinc/67/38/08/1092673808.db2.gz FOPZDEHVRIKQOK-UHFFFAOYSA-N 0 3 324.465 3.055 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001209187553 1092685545 /nfs/dbraw/zinc/68/55/45/1092685545.db2.gz FUWPYDISGMZXCW-QZTJIDSGSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001209192531 1092689496 /nfs/dbraw/zinc/68/94/96/1092689496.db2.gz AGLFFDSTPZWIDP-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCCN1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001209207100 1092695713 /nfs/dbraw/zinc/69/57/13/1092695713.db2.gz LROYPAKPPVOZKB-IBGZPJMESA-N 0 3 302.462 3.348 20 30 DGEDHN C=CCOCc1ncn2c1CN(CCc1cccs1)CCC2 ZINC001209222566 1092700785 /nfs/dbraw/zinc/70/07/85/1092700785.db2.gz NMVJXPQQPORCBA-UHFFFAOYSA-N 0 3 317.458 3.096 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCCC[C@@H](C)CC)C1 ZINC001149780374 1092729643 /nfs/dbraw/zinc/72/96/43/1092729643.db2.gz FVAMCXDGNKFJMI-ROUUACIJSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001150005656 1092748269 /nfs/dbraw/zinc/74/82/69/1092748269.db2.gz JRLHYLHJHOQTHX-ZWKOTPCHSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCCCCCN1CCc2c(c(COCC=C)nn2C)C1 ZINC001209424765 1092770007 /nfs/dbraw/zinc/77/00/07/1092770007.db2.gz TZYZTLAXNOOSHM-UHFFFAOYSA-N 0 3 303.450 3.227 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC001150380750 1092774774 /nfs/dbraw/zinc/77/47/74/1092774774.db2.gz YZNKWWOXOBINNB-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCCCCCN1Cc2cn(C)nc2[C@H](COC)C1 ZINC001209441062 1092775134 /nfs/dbraw/zinc/77/51/34/1092775134.db2.gz GUGDAXRFPWFMKZ-KRWDZBQOSA-N 0 3 305.466 3.492 20 30 DGEDHN CCCC1(C(=O)N2CCC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001209538331 1092813532 /nfs/dbraw/zinc/81/35/32/1092813532.db2.gz ZFLBQHONBDNYQF-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001151398935 1092893951 /nfs/dbraw/zinc/89/39/51/1092893951.db2.gz IVZXUANZWTXYSU-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001210250784 1093095373 /nfs/dbraw/zinc/09/53/73/1093095373.db2.gz DCVJSKLNHXPLJK-IXDOHACOSA-N 0 3 324.509 3.088 20 30 DGEDHN C[C@H]1CC(=O)C=C(Nc2ccc(F)cc2OCCN(C)C)C1 ZINC001210777933 1093281033 /nfs/dbraw/zinc/28/10/33/1093281033.db2.gz PCYAEPBNFWWHMU-GFCCVEGCSA-N 0 3 306.381 3.061 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCc2cc(C)ccc2C)C1 ZINC001211218163 1093424874 /nfs/dbraw/zinc/42/48/74/1093424874.db2.gz OMMJJVKYGHTYSF-IEBWSBKVSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213389685 1093577911 /nfs/dbraw/zinc/57/79/11/1093577911.db2.gz DZWUWLZIYGAUBS-DPFGVCLMSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC(C)(C)C)[C@H](OC)C1 ZINC001213606387 1093623732 /nfs/dbraw/zinc/62/37/32/1093623732.db2.gz NVPLHGYADFCZBY-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)CCCCC)[C@H](OC)C1 ZINC001213895125 1093676644 /nfs/dbraw/zinc/67/66/44/1093676644.db2.gz JLZOIOOMISFRTG-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCCC)C[C@H]2OC)CCCC1 ZINC001214004383 1093694301 /nfs/dbraw/zinc/69/43/01/1093694301.db2.gz XKEVUBXUSJEIAL-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215365636 1093969376 /nfs/dbraw/zinc/96/93/76/1093969376.db2.gz NBSFDEXEOUTWQE-NLWGTHIKSA-N 0 3 324.468 3.077 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215365637 1093969434 /nfs/dbraw/zinc/96/94/34/1093969434.db2.gz NBSFDEXEOUTWQE-QWFCFKBJSA-N 0 3 324.468 3.077 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2nc(C)cs2)[C@H](CC)C1 ZINC001276730673 1094075447 /nfs/dbraw/zinc/07/54/47/1094075447.db2.gz LRMYZZZDAHRNSC-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3c(F)cccc3C#N)n2)cc1 ZINC001216382999 1094186694 /nfs/dbraw/zinc/18/66/94/1094186694.db2.gz IVDWKJDKJNBJLY-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN C[C@H](c1nccs1)N1CCN(CC2CCC(C#N)CC2)CC1 ZINC001119817264 1094293800 /nfs/dbraw/zinc/29/38/00/1094293800.db2.gz INNYDXFZPCHERB-QQFBHYJXSA-N 0 3 318.490 3.152 20 30 DGEDHN C#CCN(C(=O)[C@H](C)CC1CCCCC1)C1CCN(C)CC1 ZINC001119983086 1094333799 /nfs/dbraw/zinc/33/37/99/1094333799.db2.gz GMULYYKAQVBWAL-MRXNPFEDSA-N 0 3 304.478 3.149 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CCCC)[C@H]2C1 ZINC001217321373 1094373283 /nfs/dbraw/zinc/37/32/83/1094373283.db2.gz OKUAZIOXALWMEC-DLBZAZTESA-N 0 3 310.482 3.059 20 30 DGEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](CC)CCCC)[C@H]2C1 ZINC001217327834 1094375749 /nfs/dbraw/zinc/37/57/49/1094375749.db2.gz YELPSPUHZZNRMZ-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](CC)CCCC)[C@H]2C1 ZINC001217327836 1094376344 /nfs/dbraw/zinc/37/63/44/1094376344.db2.gz YELPSPUHZZNRMZ-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](CC)CCCC)[C@H]2C1 ZINC001217344788 1094382067 /nfs/dbraw/zinc/38/20/67/1094382067.db2.gz ZWZMGZIOUXDWQW-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN CC1(C)CN(C[C@@H](O)c2cccc(C#N)c2)Cc2ccccc2O1 ZINC001170793914 1094405109 /nfs/dbraw/zinc/40/51/09/1094405109.db2.gz FRJSIYRFQQERMU-GOSISDBHSA-N 0 3 322.408 3.265 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001120372232 1094417049 /nfs/dbraw/zinc/41/70/49/1094417049.db2.gz BKBQLKWJZXQLSI-SJORKVTESA-N 0 3 322.880 3.101 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)C[C@H](C)NCc1nccs1 ZINC001135187766 1094436201 /nfs/dbraw/zinc/43/62/01/1094436201.db2.gz ARWYRWDIIIDPAY-LSDHHAIUSA-N 0 3 321.490 3.100 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(C3OCCO3)cc2)cc1F ZINC000405881306 1094450910 /nfs/dbraw/zinc/45/09/10/1094450910.db2.gz XOYNOWGAWSFRJQ-UHFFFAOYSA-N 0 3 312.344 3.033 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001135236284 1094454600 /nfs/dbraw/zinc/45/46/00/1094454600.db2.gz RKEYDJSFQDLRCH-QWHCGFSZSA-N 0 3 321.465 3.131 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135229768 1094459411 /nfs/dbraw/zinc/45/94/11/1094459411.db2.gz DGWPBZPEKXHMKE-NEPJUHHUSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCC(=C)Br ZINC001135353097 1094499573 /nfs/dbraw/zinc/49/95/73/1094499573.db2.gz BZRZYPAGSNPBMD-STQMWFEESA-N 0 3 317.271 3.124 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)/C=C(\C)CC)[C@H]2C1 ZINC001217815863 1094499757 /nfs/dbraw/zinc/49/97/57/1094499757.db2.gz YWOJGTCZSJYGPU-SHJQCXLZSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135358480 1094501849 /nfs/dbraw/zinc/50/18/49/1094501849.db2.gz SNZBTEQNXHDQDO-QWHCGFSZSA-N 0 3 309.479 3.181 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC001135358016 1094502007 /nfs/dbraw/zinc/50/20/07/1094502007.db2.gz LEAZSGPEOITHDS-UONOGXRCSA-N 0 3 319.449 3.281 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OC(Cl)(Cl)c1c(F)cccc1Cl ZINC001217831147 1094502474 /nfs/dbraw/zinc/50/24/74/1094502474.db2.gz JLSBMBWLUFFKSO-XVKPBYJWSA-N 0 3 323.582 3.195 20 30 DGEDHN CCC(=O)[C@H]1C[C@@H](O/C(=N/c2ccccc2)c2ccccc2)CN1 ZINC001217879323 1094510324 /nfs/dbraw/zinc/51/03/24/1094510324.db2.gz QPDYTUMEEALSNT-LNQCCUSDSA-N 0 3 322.408 3.491 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2ocnc2C)CCC1 ZINC001135396021 1094515404 /nfs/dbraw/zinc/51/54/04/1094515404.db2.gz VERYTZYNQBCUCW-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NCc2conc2C)CC1 ZINC001135416425 1094528223 /nfs/dbraw/zinc/52/82/23/1094528223.db2.gz TYESQIRUKVPWPZ-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NCc2nccs2)CC1 ZINC001135416093 1094528242 /nfs/dbraw/zinc/52/82/42/1094528242.db2.gz QBEVMDJSBSXBOE-KBPBESRZSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135562459 1094578004 /nfs/dbraw/zinc/57/80/04/1094578004.db2.gz ZWLUKFMRINOEAC-OLZOCXBDSA-N 0 3 323.506 3.427 20 30 DGEDHN Fc1ccc(C#Cc2ccc(O[C@H]3CCNC[C@@H]3F)cc2)cc1 ZINC001218064477 1094582171 /nfs/dbraw/zinc/58/21/71/1094582171.db2.gz LKBCWDJYJKNEJG-OALUTQOASA-N 0 3 313.347 3.304 20 30 DGEDHN F[C@H]1CNCC[C@H]1Oc1ccccc1C=NNc1ccccc1 ZINC001218071860 1094587222 /nfs/dbraw/zinc/58/72/22/1094587222.db2.gz QHYDAMYNZVLEDO-FUHWJXTLSA-N 0 3 313.376 3.211 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C)CC(=C)C2)C1 ZINC001103418740 1094621840 /nfs/dbraw/zinc/62/18/40/1094621840.db2.gz XDGGIWPKXXGQOS-UKRRQHHQSA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC3(CC3)C2)C1 ZINC001103423493 1094623584 /nfs/dbraw/zinc/62/35/84/1094623584.db2.gz FOOFDOVUGBYMNE-TZMCWYRMSA-N 0 3 310.869 3.003 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC(C)C)C1 ZINC001103580908 1094672706 /nfs/dbraw/zinc/67/27/06/1094672706.db2.gz SZYDURSMSXGNHH-IIAWOOMASA-N 0 3 314.901 3.495 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001493108372 1094707540 /nfs/dbraw/zinc/70/75/40/1094707540.db2.gz OPKHZGOOZYUHCX-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN N#Cc1ccc(N2CCN(Cc3cccc4ccoc43)CC2)cn1 ZINC001336754900 1094723198 /nfs/dbraw/zinc/72/31/98/1094723198.db2.gz NDCHLFUDSPKHTE-UHFFFAOYSA-N 0 3 318.380 3.022 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)C2CC2)C1 ZINC001103759549 1094734769 /nfs/dbraw/zinc/73/47/69/1094734769.db2.gz TXZUFFJWHAXUJC-XJKCOSOUSA-N 0 3 312.885 3.249 20 30 DGEDHN C[C@H]1NC[C@@H]1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001218386741 1094743949 /nfs/dbraw/zinc/74/39/49/1094743949.db2.gz WMIGWXXRNBLTRY-DMTCNVIQSA-N 0 3 303.177 3.001 20 30 DGEDHN C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CN[C@H]2C)c1 ZINC001218385785 1094744482 /nfs/dbraw/zinc/74/44/82/1094744482.db2.gz LOEDRCNASRTBDA-IFXJQAMLSA-N 0 3 323.392 3.222 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC001121848190 1094793793 /nfs/dbraw/zinc/79/37/93/1094793793.db2.gz IDEYOTHUFOBUHY-CVEARBPZSA-N 0 3 320.481 3.194 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001121882547 1094811701 /nfs/dbraw/zinc/81/17/01/1094811701.db2.gz JCZUQONAVGJIMG-KMFMINBZSA-N 0 3 304.409 3.214 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)c1cc2c(s1)CNCC2 ZINC001121922101 1094826885 /nfs/dbraw/zinc/82/68/85/1094826885.db2.gz XGRXKUAHPRGTLV-UHFFFAOYSA-N 0 3 318.467 3.284 20 30 DGEDHN CCCCCCCCCN(C)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001121932125 1094832660 /nfs/dbraw/zinc/83/26/60/1094832660.db2.gz FHLLPWTWHPBPJH-HNNXBMFYSA-N 0 3 320.481 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1C ZINC001104008280 1094835335 /nfs/dbraw/zinc/83/53/35/1094835335.db2.gz BOPQFHYRQIRDQX-UMVBOHGHSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC001121955263 1094842925 /nfs/dbraw/zinc/84/29/25/1094842925.db2.gz LDLQWOXXTYBRCR-HOTGVXAUSA-N 0 3 308.372 3.312 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1C ZINC001104055840 1094851151 /nfs/dbraw/zinc/85/11/51/1094851151.db2.gz OAGDQNKLCGMWKW-CZUORRHYSA-N 0 3 324.852 3.039 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1C ZINC001104116555 1094879715 /nfs/dbraw/zinc/87/97/15/1094879715.db2.gz GAXUEZAVDHCWNT-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN N#CCc1cccc(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)c1 ZINC001218988661 1094919305 /nfs/dbraw/zinc/91/93/05/1094919305.db2.gz ZGLKMPCKMISSHW-LMFLDHGRSA-N 0 3 323.440 3.235 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc(F)c1C(C)=O ZINC001218999665 1094925611 /nfs/dbraw/zinc/92/56/11/1094925611.db2.gz KPRZWCRBFGWRPQ-AWEZNQCLSA-N 0 3 306.381 3.431 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC001122215310 1094928711 /nfs/dbraw/zinc/92/87/11/1094928711.db2.gz VWQANYSQFKYMRH-HNNXBMFYSA-N 0 3 309.841 3.024 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCCCCCC)C1 ZINC001111748678 1094956657 /nfs/dbraw/zinc/95/66/57/1094956657.db2.gz IXBMUXMWEFQSIV-LNLFQRSKSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCCCCC(=O)N[C@]12CCC[C@H]1CN(C[C@H](F)CC)C2 ZINC001111833627 1094981641 /nfs/dbraw/zinc/98/16/41/1094981641.db2.gz AIQNPKDAJZBBGD-SCTDSRPQSA-N 0 3 322.468 3.289 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1ccccc1C(F)(F)F ZINC001122519531 1094997327 /nfs/dbraw/zinc/99/73/27/1094997327.db2.gz YEFXKVAGOKNFHL-GFCCVEGCSA-N 0 3 321.302 3.248 20 30 DGEDHN N=C(N[C@@H]1CCc2cccc(F)c2C1)c1ccc(Cl)cn1 ZINC001170953807 1095007478 /nfs/dbraw/zinc/00/74/78/1095007478.db2.gz BURFSKWBWYLNRS-GFCCVEGCSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001111997576 1095022605 /nfs/dbraw/zinc/02/26/05/1095022605.db2.gz AWALNDIRCLVYTG-QRFRQXIXSA-N 0 3 312.457 3.022 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001111997575 1095022761 /nfs/dbraw/zinc/02/27/61/1095022761.db2.gz AWALNDIRCLVYTG-KPFFTGBYSA-N 0 3 312.457 3.022 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001112013679 1095025999 /nfs/dbraw/zinc/02/59/99/1095025999.db2.gz BHOSQCFRADCWAW-NSHGMRRFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2(CCC)CC2)C[C@H]1C(F)(F)F ZINC001112164130 1095038912 /nfs/dbraw/zinc/03/89/12/1095038912.db2.gz FKTJWLWFARTCNB-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NCCN2CCC(C)CC2)CCCC1(C)C ZINC001220633614 1095128259 /nfs/dbraw/zinc/12/82/59/1095128259.db2.gz KPMPGINDFAECFL-KRWDZBQOSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)C[C@H](C)CCCCCC)[C@@H](O)C1 ZINC001220744648 1095147867 /nfs/dbraw/zinc/14/78/67/1095147867.db2.gz NXEBQXISBINGDQ-KURKYZTESA-N 0 3 324.509 3.111 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001171042584 1095178302 /nfs/dbraw/zinc/17/83/02/1095178302.db2.gz CRNPMJYTJJVNRK-AWEZNQCLSA-N 0 3 307.438 3.104 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cc(C)ns2)CCCCC1 ZINC001115442594 1095221894 /nfs/dbraw/zinc/22/18/94/1095221894.db2.gz GNPKZGGNVPMVSO-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cncc(F)c2)CCCCC1 ZINC001115442793 1095222509 /nfs/dbraw/zinc/22/25/09/1095222509.db2.gz QZVWACSUEDVEPC-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3cncs3)[C@@H]2C1 ZINC001221326375 1095245468 /nfs/dbraw/zinc/24/54/68/1095245468.db2.gz VESTVGMNYLUKLT-HUUCEWRRSA-N 0 3 321.490 3.260 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001123338302 1095246347 /nfs/dbraw/zinc/24/63/47/1095246347.db2.gz ZTAFFQGKEGKEEO-HRCADAONSA-N 0 3 311.360 3.412 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCC(C)C)C[C@H]2C1 ZINC001276821670 1095252388 /nfs/dbraw/zinc/25/23/88/1095252388.db2.gz UKZSHPJRLOAWMU-HRCADAONSA-N 0 3 312.885 3.392 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3ccc(CC)cc3)C[C@H]21 ZINC001221512899 1095288382 /nfs/dbraw/zinc/28/83/82/1095288382.db2.gz UAVJSBVSEWFZKC-WOJBJXKFSA-N 0 3 324.468 3.085 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)CC(F)F)CCCCC1 ZINC001115631627 1095311129 /nfs/dbraw/zinc/31/11/29/1095311129.db2.gz LQYDQJQDAXXWCC-LLVKDONJSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@H](F)C2)CCCCC1 ZINC001115694096 1095336077 /nfs/dbraw/zinc/33/60/77/1095336077.db2.gz NZOTXCJCXXQBDK-KBPBESRZSA-N 0 3 316.848 3.286 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)CC(C)(C)C)[C@@H]2C1 ZINC001222038610 1095414424 /nfs/dbraw/zinc/41/44/24/1095414424.db2.gz JYXRUXOEORBRKH-HZPDHXFCSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CC1CCN(Cc2ccc(OC)c(OC(F)(F)F)c2)CC1 ZINC001143879462 1095416884 /nfs/dbraw/zinc/41/68/84/1095416884.db2.gz LWVHGESCGNGCQV-UHFFFAOYSA-N 0 3 313.319 3.439 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1ccc(C)s1 ZINC001171115004 1095425804 /nfs/dbraw/zinc/42/58/04/1095425804.db2.gz GZAMTOYATODIKV-GFCCVEGCSA-N 0 3 300.855 3.008 20 30 DGEDHN N#CCOc1cccc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001116056009 1095446838 /nfs/dbraw/zinc/44/68/38/1095446838.db2.gz YHFAAXFJXPOBOS-UHFFFAOYSA-N 0 3 321.424 3.479 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)c1 ZINC001144166672 1095545912 /nfs/dbraw/zinc/54/59/12/1095545912.db2.gz PZOVLUCKRXGRRC-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCc2ccncc2)C1 ZINC001116576116 1095605798 /nfs/dbraw/zinc/60/57/98/1095605798.db2.gz PQBZFEGSIXXGJT-IBGZPJMESA-N 0 3 324.424 3.438 20 30 DGEDHN CC(C)(C)CCCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001124782679 1095629612 /nfs/dbraw/zinc/62/96/12/1095629612.db2.gz RVJDSMQKMILSHL-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001091064237 1095635397 /nfs/dbraw/zinc/63/53/97/1095635397.db2.gz FUJXRURIXFVOCJ-UHFFFAOYSA-N 0 3 322.836 3.009 20 30 DGEDHN COc1cc(Cl)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001144480788 1095678559 /nfs/dbraw/zinc/67/85/59/1095678559.db2.gz HNXZKSQMKHQOBU-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN C=C[C@H](COC)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC001116879518 1095689136 /nfs/dbraw/zinc/68/91/36/1095689136.db2.gz DGAAODCRBMYYHY-GFCCVEGCSA-N 0 3 302.340 3.062 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(Cc3ccc(C)cc3)CC2)C1=O ZINC001116904923 1095697267 /nfs/dbraw/zinc/69/72/67/1095697267.db2.gz IBWSTRPQLSKLJT-LJQANCHMSA-N 0 3 312.457 3.036 20 30 DGEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001116938161 1095705591 /nfs/dbraw/zinc/70/55/91/1095705591.db2.gz NQPJTYAUMMCSBF-ZJUUUORDSA-N 0 3 302.296 3.006 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccn(CC(F)(F)F)n1 ZINC001171198362 1095708007 /nfs/dbraw/zinc/70/80/07/1095708007.db2.gz KZUIQGXNSVLPOQ-LBPRGKRZSA-N 0 3 322.334 3.038 20 30 DGEDHN C#Cc1ccc(CN2CCC(C(=O)OCC)(C(C)C)CC2)cc1 ZINC001144578893 1095714456 /nfs/dbraw/zinc/71/44/56/1095714456.db2.gz SKKYKAHGXNZHOU-UHFFFAOYSA-N 0 3 313.441 3.469 20 30 DGEDHN C#Cc1ccc(CN(CC)CCNC(=O)OC(C)(C)C)cc1 ZINC001144579012 1095714636 /nfs/dbraw/zinc/71/46/36/1095714636.db2.gz VSTMNAIXABQLDI-UHFFFAOYSA-N 0 3 302.418 3.015 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc1 ZINC001144568081 1095719018 /nfs/dbraw/zinc/71/90/18/1095719018.db2.gz KGDXGNKAIGNMSJ-XJKSGUPXSA-N 0 3 311.347 3.193 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1 ZINC001144568079 1095720314 /nfs/dbraw/zinc/72/03/14/1095720314.db2.gz KGDXGNKAIGNMSJ-CJNGLKHVSA-N 0 3 311.347 3.193 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](Oc3ccccc3OC)C2)cc1 ZINC001144573952 1095723004 /nfs/dbraw/zinc/72/30/04/1095723004.db2.gz VJIJDOSLVOAOOT-SFHVURJKSA-N 0 3 307.393 3.330 20 30 DGEDHN C#Cc1ccc(CN2CC(CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001144576259 1095724717 /nfs/dbraw/zinc/72/47/17/1095724717.db2.gz HXSHJVSZQGHJDX-UHFFFAOYSA-N 0 3 314.429 3.015 20 30 DGEDHN N#Cc1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cc1 ZINC001144717050 1095778555 /nfs/dbraw/zinc/77/85/55/1095778555.db2.gz XQYUKOCLQVONED-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(Oc2ccccn2)CC1 ZINC001171221335 1095815858 /nfs/dbraw/zinc/81/58/58/1095815858.db2.gz KRPAUQNWGSXTIN-INIZCTEOSA-N 0 3 321.424 3.428 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)ccc(F)c3Cl)CCC2S1 ZINC001138001070 1095825660 /nfs/dbraw/zinc/82/56/60/1095825660.db2.gz QPWPEHUFAWIDEO-GFCCVEGCSA-N 0 3 315.772 3.392 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC001276876331 1095915469 /nfs/dbraw/zinc/91/54/69/1095915469.db2.gz SYFYYARTZCBZSC-CQSZACIVSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001091357975 1095915328 /nfs/dbraw/zinc/91/53/28/1095915328.db2.gz CFOJYPPWNJFLIO-UHFFFAOYSA-N 0 3 318.848 3.026 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001223304756 1095931442 /nfs/dbraw/zinc/93/14/42/1095931442.db2.gz RLYOFFGBWKIPLX-KRWDZBQOSA-N 0 3 310.457 3.331 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCC[C@@H](C)CCC)CC1 ZINC001223319835 1095935126 /nfs/dbraw/zinc/93/51/26/1095935126.db2.gz DSUSXNQQYJKPEB-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN Cc1cc(NC(=N)c2ccc(C(N)=O)cc2)cc(C(C)(C)C)c1 ZINC001171258882 1095952958 /nfs/dbraw/zinc/95/29/58/1095952958.db2.gz OAKWXJSDOKCBJM-UHFFFAOYSA-N 0 3 309.413 3.428 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 ZINC001340548811 1095974800 /nfs/dbraw/zinc/97/48/00/1095974800.db2.gz INARIJBUEMRWHN-JSGCOSHPSA-N 0 3 318.417 3.031 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)CC(C)C)C[C@@H]21 ZINC001223900590 1096091613 /nfs/dbraw/zinc/09/16/13/1096091613.db2.gz GZCNCYCFUFHDLX-KURKYZTESA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](F)CCCCCC)C[C@@H]21 ZINC001223921776 1096095685 /nfs/dbraw/zinc/09/56/85/1096095685.db2.gz AJDRVOZKZPFSJQ-ZACQAIPSSA-N 0 3 310.457 3.404 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001224010089 1096114993 /nfs/dbraw/zinc/11/49/93/1096114993.db2.gz RITWKVNPKMNNFP-ZACQAIPSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001224051463 1096123313 /nfs/dbraw/zinc/12/33/13/1096123313.db2.gz YSLLQAHTEKNXCC-UHFFFAOYSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001224057397 1096126400 /nfs/dbraw/zinc/12/64/00/1096126400.db2.gz KUAYTEZFDQGHAW-UHFFFAOYSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224165797 1096150125 /nfs/dbraw/zinc/15/01/25/1096150125.db2.gz SXRPDJSQFFWGJK-STQMWFEESA-N 0 3 320.399 3.225 20 30 DGEDHN Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2c1ccccc1C#N ZINC001276952887 1096153385 /nfs/dbraw/zinc/15/33/85/1096153385.db2.gz BRBCPZBOPIWRJF-IRXDYDNUSA-N 0 3 324.453 3.176 20 30 DGEDHN CC(C)CC[C@@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001341353859 1096160193 /nfs/dbraw/zinc/16/01/93/1096160193.db2.gz WTYBVEXLGGVOAP-GOSISDBHSA-N 0 3 313.445 3.028 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCCC3CCCC3)C[C@@H]21 ZINC001224256732 1096173739 /nfs/dbraw/zinc/17/37/39/1096173739.db2.gz KUUPYYDDAYLOJV-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CCCO[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001224278978 1096177315 /nfs/dbraw/zinc/17/73/15/1096177315.db2.gz JNNZLJOPLVYQLS-HOTGVXAUSA-N 0 3 324.465 3.053 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC001276964935 1096193116 /nfs/dbraw/zinc/19/31/16/1096193116.db2.gz ZPKJMZHHBAVZFQ-CYBMUJFWSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224387053 1096200907 /nfs/dbraw/zinc/20/09/07/1096200907.db2.gz XHRHKKCUBYETFB-OAHLLOKOSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CCN(CCC(F)(F)F)CC2)C1 ZINC001224476855 1096221315 /nfs/dbraw/zinc/22/13/15/1096221315.db2.gz LAFKBDYHORIYBS-UHFFFAOYSA-N 0 3 318.383 3.123 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001276983666 1096244453 /nfs/dbraw/zinc/24/44/53/1096244453.db2.gz PLBWNGFZSABEIZ-ZQDZILKHSA-N 0 3 312.885 3.296 20 30 DGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCCc2ccc(C#N)cc2)C1 ZINC001224656429 1096258366 /nfs/dbraw/zinc/25/83/66/1096258366.db2.gz WRMIZDHSGDCLSL-QFBILLFUSA-N 0 3 321.424 3.348 20 30 DGEDHN C[C@@H](CCC(C)(C)C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001147787244 1096272292 /nfs/dbraw/zinc/27/22/92/1096272292.db2.gz RGWUVBLRXPEOCE-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001224740017 1096276380 /nfs/dbraw/zinc/27/63/80/1096276380.db2.gz VSTLNGZAAMWJBL-LJQANCHMSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001224740016 1096277001 /nfs/dbraw/zinc/27/70/01/1096277001.db2.gz VSTLNGZAAMWJBL-IBGZPJMESA-N 0 3 318.505 3.444 20 30 DGEDHN C[N+](C)(C)CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001224771682 1096282541 /nfs/dbraw/zinc/28/25/41/1096282541.db2.gz QQYZNWGVKQAFOO-LAFOYAEKSA-O 0 3 313.421 3.329 20 30 DGEDHN C=CCCCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148199435 1096319467 /nfs/dbraw/zinc/31/94/67/1096319467.db2.gz DROKZTYYPUCVEB-UHFFFAOYSA-N 0 3 304.459 3.139 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001225110139 1096350263 /nfs/dbraw/zinc/35/02/63/1096350263.db2.gz PIEVJAUZXNLALB-GOSISDBHSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001225162178 1096356504 /nfs/dbraw/zinc/35/65/04/1096356504.db2.gz BAKZTNNLTSVPAP-GOSISDBHSA-N 0 3 322.468 3.146 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1F ZINC001225274935 1096380326 /nfs/dbraw/zinc/38/03/26/1096380326.db2.gz BFWQHQXJJSDEJY-HZPDHXFCSA-N 0 3 322.399 3.448 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001225333307 1096399207 /nfs/dbraw/zinc/39/92/07/1096399207.db2.gz RPGAHMZAVXZMCV-QGZVFWFLSA-N 0 3 312.457 3.032 20 30 DGEDHN N#Cc1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cn1 ZINC001225499986 1096450225 /nfs/dbraw/zinc/45/02/25/1096450225.db2.gz QNZILTIYOBVUFD-YRWFTTLQSA-N 0 3 319.408 3.243 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccsc3)C2)CC1 ZINC001086901234 1096500237 /nfs/dbraw/zinc/50/02/37/1096500237.db2.gz AJILRDPNQABMFA-HNNXBMFYSA-N 0 3 316.470 3.088 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C(/C)C3CC3)C2)CC1 ZINC001086905697 1096502892 /nfs/dbraw/zinc/50/28/92/1096502892.db2.gz FSTABECUKDBKIN-VZVUQDNOSA-N 0 3 314.473 3.069 20 30 DGEDHN CC1(C)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225682256 1096504157 /nfs/dbraw/zinc/50/41/57/1096504157.db2.gz OWKHESFWIAXDCJ-GUDVDZBRSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC3CCCC3)C[C@]2(C)C1 ZINC001092067744 1096572897 /nfs/dbraw/zinc/57/28/97/1096572897.db2.gz XPRRXPIFIUOJBP-POAQFYNOSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)C3CCCCC3)C[C@]2(C)C1 ZINC001092092803 1096576458 /nfs/dbraw/zinc/57/64/58/1096576458.db2.gz FYPQQAOVXAHTEP-POAQFYNOSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001277092386 1096590677 /nfs/dbraw/zinc/59/06/77/1096590677.db2.gz DQHIRIVQLDWQTL-DUPGQFARSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3c(C)cc(C)cc3C)C[C@]2(C)C1 ZINC001092255580 1096597945 /nfs/dbraw/zinc/59/79/45/1096597945.db2.gz PYRLCOHDDBPVNA-NQIIRXRSSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001092311508 1096601271 /nfs/dbraw/zinc/60/12/71/1096601271.db2.gz RKALEKAEMXJLRT-UWVAXJGDSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001226473771 1096698021 /nfs/dbraw/zinc/69/80/21/1096698021.db2.gz AAKYTMCUQFXNEE-HZPDHXFCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@H]2CCc3c2cccc3F)CC1 ZINC001226518322 1096711549 /nfs/dbraw/zinc/71/15/49/1096711549.db2.gz GGLOIFXQABGJGX-SFHVURJKSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCCC(=O)NC1CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001226518885 1096711830 /nfs/dbraw/zinc/71/18/30/1096711830.db2.gz NZRUAUBDPFFZKC-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C[C@H](Oc1ccnc(N)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC001226656557 1096743545 /nfs/dbraw/zinc/74/35/45/1096743545.db2.gz LICXWXWZEMQWOA-YFKPBYRVSA-N 0 3 306.181 3.264 20 30 DGEDHN C=CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CCCCO1 ZINC001277159923 1096794031 /nfs/dbraw/zinc/79/40/31/1096794031.db2.gz PYCFHPALLINSDV-AEFFLSMTSA-N 0 3 306.450 3.141 20 30 DGEDHN C=CCCCCCCCCN1CC[C@H](C(N)=O)n2nccc2C1 ZINC001277171187 1096818794 /nfs/dbraw/zinc/81/87/94/1096818794.db2.gz WKEJXGSPVPGKBM-QGZVFWFLSA-N 0 3 318.465 3.032 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(Cl)s3)CCC[C@@H]12 ZINC001094571475 1096855275 /nfs/dbraw/zinc/85/52/75/1096855275.db2.gz LHRLWTAZPKCASB-CZUORRHYSA-N 0 3 322.861 3.009 20 30 DGEDHN C#CCCCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001227076139 1096862480 /nfs/dbraw/zinc/86/24/80/1096862480.db2.gz FUHAZVQUOVUZPP-DHZHZOJOSA-N 0 3 310.441 3.084 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001227090091 1096864976 /nfs/dbraw/zinc/86/49/76/1096864976.db2.gz DGLLGFPXPOUZOY-BFHYXJOUSA-N 0 3 300.874 3.438 20 30 DGEDHN O=C(C#CC1CC1)NC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001227299083 1096914268 /nfs/dbraw/zinc/91/42/68/1096914268.db2.gz JZTBLWWRBRSYBL-UHFFFAOYSA-N 0 3 322.452 3.058 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1ccccc1OC ZINC001171519844 1096916680 /nfs/dbraw/zinc/91/66/80/1096916680.db2.gz CIPUCQVEHFLDQS-ZDUSSCGKSA-N 0 3 324.852 3.037 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2ccccc2C#N)CN1Cc1ccccc1 ZINC001171724814 1096954888 /nfs/dbraw/zinc/95/48/88/1096954888.db2.gz BOJZIRQNWVPNBY-OXQOHEQNSA-N 0 3 305.425 3.311 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC(F)F ZINC001227582525 1096954959 /nfs/dbraw/zinc/95/49/59/1096954959.db2.gz HYMZMGCYZMNDJX-MVWJERBFSA-N 0 3 308.800 3.047 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC(F)F ZINC001227582527 1096954975 /nfs/dbraw/zinc/95/49/75/1096954975.db2.gz HYMZMGCYZMNDJX-YUSALJHKSA-N 0 3 308.800 3.047 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001227597338 1096957532 /nfs/dbraw/zinc/95/75/32/1096957532.db2.gz WYRUZSYUBHRTQC-UHFFFAOYSA-N 0 3 306.475 3.493 20 30 DGEDHN CC[C@@H]1C[C@H](NCCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171812729 1096986345 /nfs/dbraw/zinc/98/63/45/1096986345.db2.gz VYCQSQGCCKZCTI-QDMKHBRRSA-N 0 3 309.454 3.446 20 30 DGEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)C(C)(C)CC ZINC001277279913 1097074537 /nfs/dbraw/zinc/07/45/37/1097074537.db2.gz KTMLKKCNUATJLJ-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C2CCCCCCC2)CC1 ZINC001228219965 1097076653 /nfs/dbraw/zinc/07/66/53/1097076653.db2.gz KJGPNHRCOBOPCH-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001277285850 1097081477 /nfs/dbraw/zinc/08/14/77/1097081477.db2.gz RCGLMXQEKYAAOE-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001228270446 1097086347 /nfs/dbraw/zinc/08/63/47/1097086347.db2.gz QDTYYQBHZIQHAK-IAGOWNOFSA-N 0 3 315.461 3.263 20 30 DGEDHN Cc1cccnc1N1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309929 1097096394 /nfs/dbraw/zinc/09/63/94/1097096394.db2.gz XVIFKULCKOFCHC-KRWDZBQOSA-N 0 3 320.440 3.015 20 30 DGEDHN COc1cccc(OC)c1CN[C@H](C)Cc1ccc(C#N)cc1 ZINC001172291816 1097106591 /nfs/dbraw/zinc/10/65/91/1097106591.db2.gz AFSQFMWWZRCOHB-CQSZACIVSA-N 0 3 310.397 3.296 20 30 DGEDHN CC(C)COCC[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001172468583 1097145886 /nfs/dbraw/zinc/14/58/86/1097145886.db2.gz LYHMWYZGKXCIOH-QGZVFWFLSA-N 0 3 315.461 3.131 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2sc(C)nc2C)CC1 ZINC001228621957 1097153924 /nfs/dbraw/zinc/15/39/24/1097153924.db2.gz HZDNRXFEMURFCE-UHFFFAOYSA-N 0 3 321.490 3.053 20 30 DGEDHN CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H](C)CCCC#N ZINC001172498516 1097170813 /nfs/dbraw/zinc/17/08/13/1097170813.db2.gz NSRVYGIAQUZWIN-GJZGRUSLSA-N 0 3 309.454 3.400 20 30 DGEDHN C[C@H](CCCC#N)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001172498972 1097170923 /nfs/dbraw/zinc/17/09/23/1097170923.db2.gz QCCXKFFKSNRNQW-VHDGCEQUSA-N 0 3 303.431 3.010 20 30 DGEDHN C[C@H](CCCC#N)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172499868 1097171932 /nfs/dbraw/zinc/17/19/32/1097171932.db2.gz GFXLDXWQEFBPSN-MGPQQGTHSA-N 0 3 313.417 3.006 20 30 DGEDHN C[C@@H](CCCC#N)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172499864 1097172302 /nfs/dbraw/zinc/17/23/02/1097172302.db2.gz GFXLDXWQEFBPSN-BFHYXJOUSA-N 0 3 313.417 3.006 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001203341494 1097241201 /nfs/dbraw/zinc/24/12/01/1097241201.db2.gz RJIVUOCWUXALOD-LSDHHAIUSA-N 0 3 319.474 3.016 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001229034586 1097241546 /nfs/dbraw/zinc/24/15/46/1097241546.db2.gz USFNAXSIEYDPLL-LJQANCHMSA-N 0 3 317.392 3.473 20 30 DGEDHN C[C@@H](Cc1ccc(F)cc1Cl)NC(=N)c1ccc(F)cn1 ZINC001172857254 1097263861 /nfs/dbraw/zinc/26/38/61/1097263861.db2.gz SHVYJWZWWJZQNF-VIFPVBQESA-N 0 3 309.747 3.350 20 30 DGEDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC001172946017 1097289813 /nfs/dbraw/zinc/28/98/13/1097289813.db2.gz IDEHLIWXXUVWPT-AWEZNQCLSA-N 0 3 309.454 3.305 20 30 DGEDHN CC1=C(Oc2cccc(CN3CCCCC3)c2)C(=O)[C@H](C)O1 ZINC001229449017 1097323150 /nfs/dbraw/zinc/32/31/50/1097323150.db2.gz TZOQLPYRUNORCG-ZDUSSCGKSA-N 0 3 301.386 3.271 20 30 DGEDHN C=CCCNC(=S)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001277399875 1097347245 /nfs/dbraw/zinc/34/72/45/1097347245.db2.gz VHVVHZBFLMXYBG-INIZCTEOSA-N 0 3 323.550 3.414 20 30 DGEDHN C#CC[C@H](C)Oc1cccc(C2(C(=O)CC)CCN(C)CC2)c1 ZINC001229735707 1097374315 /nfs/dbraw/zinc/37/43/15/1097374315.db2.gz KXVCVOOSHHPKAW-INIZCTEOSA-N 0 3 313.441 3.420 20 30 DGEDHN N#CCC1CCC(N2CCN(c3ccccc3C#N)CC2)CC1 ZINC001173332025 1097420041 /nfs/dbraw/zinc/42/00/41/1097420041.db2.gz JAVMRLZCIMQNSX-UHFFFAOYSA-N 0 3 308.429 3.153 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001277436526 1097423570 /nfs/dbraw/zinc/42/35/70/1097423570.db2.gz OPEPZOZMCJTPQB-NXHRZFHOSA-N 0 3 304.478 3.454 20 30 DGEDHN CC1(C#N)CCC(n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001173598182 1097467801 /nfs/dbraw/zinc/46/78/01/1097467801.db2.gz NVZVMRQNEFUCEH-UHFFFAOYSA-N 0 3 312.339 3.193 20 30 DGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccccc2CC#N)C1 ZINC001230275698 1097467999 /nfs/dbraw/zinc/46/79/99/1097467999.db2.gz FCBCUQUEROBJPH-DOTOQJQBSA-N 0 3 307.397 3.362 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N[C@H](C)c1ccccc1F ZINC001491556049 1097491319 /nfs/dbraw/zinc/49/13/19/1097491319.db2.gz UXHNTSLIDPLKPI-LSDHHAIUSA-N 0 3 304.409 3.175 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001277457241 1097498243 /nfs/dbraw/zinc/49/82/43/1097498243.db2.gz DJIUHWPBKXMLFA-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001230753089 1097573887 /nfs/dbraw/zinc/57/38/87/1097573887.db2.gz QWJGIVZJUDXIBC-QGZVFWFLSA-N 0 3 319.493 3.450 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759758 1097576344 /nfs/dbraw/zinc/57/63/44/1097576344.db2.gz WLPAYFMIBJWWLR-QWHCGFSZSA-N 0 3 310.825 3.434 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001230786769 1097586177 /nfs/dbraw/zinc/58/61/77/1097586177.db2.gz YACWURZTCFSVID-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001230786769 1097586180 /nfs/dbraw/zinc/58/61/80/1097586180.db2.gz YACWURZTCFSVID-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001277473889 1097630437 /nfs/dbraw/zinc/63/04/37/1097630437.db2.gz LSDDSNVUZLDTSP-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC(F)(F)F ZINC001231034858 1097651951 /nfs/dbraw/zinc/65/19/51/1097651951.db2.gz KRBORGBBPJQLSR-CYBMUJFWSA-N 0 3 306.372 3.218 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001231060184 1097658012 /nfs/dbraw/zinc/65/80/12/1097658012.db2.gz DTGGDKOOYPIUAN-MRXNPFEDSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC001231170369 1097687404 /nfs/dbraw/zinc/68/74/04/1097687404.db2.gz PBUPXUSDUFSBFR-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231245924 1097701614 /nfs/dbraw/zinc/70/16/14/1097701614.db2.gz BXYWJWXVOQTXPO-HZPDHXFCSA-N 0 3 312.523 3.265 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ncoc1CC ZINC001231342662 1097726272 /nfs/dbraw/zinc/72/62/72/1097726272.db2.gz OXYOPSDKYJTNKN-HNNXBMFYSA-N 0 3 321.465 3.354 20 30 DGEDHN C[C@@H]1C[C@@H](O)CCN1Cc1ccccc1C#Cc1ccccc1 ZINC001231578395 1097783221 /nfs/dbraw/zinc/78/32/21/1097783221.db2.gz MASIYZPSVNKPPO-UTKZUKDTSA-N 0 3 305.421 3.432 20 30 DGEDHN C#Cc1cccc(CN2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC001231659735 1097806064 /nfs/dbraw/zinc/80/60/64/1097806064.db2.gz TTWWDJLUBQHMIW-UHFFFAOYSA-N 0 3 309.384 3.291 20 30 DGEDHN C[C@H](CCCCNCc1ccccc1C#N)NC(=O)CCCF ZINC001174759016 1097842963 /nfs/dbraw/zinc/84/29/63/1097842963.db2.gz SRRIHOGEIWJKDP-OAHLLOKOSA-N 0 3 319.424 3.073 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001174834323 1097853390 /nfs/dbraw/zinc/85/33/90/1097853390.db2.gz YXYJGFLMWSOGFU-GDBMZVCRSA-N 0 3 321.465 3.350 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001174798771 1097856087 /nfs/dbraw/zinc/85/60/87/1097856087.db2.gz OLMRBIBVIGZHNW-OAHLLOKOSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1sccc1C(F)F ZINC001174885854 1097863684 /nfs/dbraw/zinc/86/36/84/1097863684.db2.gz ORGVOUOPHCFQEA-UHFFFAOYSA-N 0 3 308.781 3.148 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001174849886 1097867611 /nfs/dbraw/zinc/86/76/11/1097867611.db2.gz RCAOYIQXXRDIAA-HUUCEWRRSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001174849887 1097867966 /nfs/dbraw/zinc/86/79/66/1097867966.db2.gz RCAOYIQXXRDIAA-LSDHHAIUSA-N 0 3 321.465 3.350 20 30 DGEDHN C#CCCCCCCN1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC001175003129 1097907869 /nfs/dbraw/zinc/90/78/69/1097907869.db2.gz FXGFNNNLRCWEAM-CQSZACIVSA-N 0 3 301.377 3.090 20 30 DGEDHN CN(C)Cc1cc(F)cc(CN(CC#N)Cc2ccccc2)c1 ZINC001232146078 1097948862 /nfs/dbraw/zinc/94/88/62/1097948862.db2.gz IODYRJNFNWPUJM-UHFFFAOYSA-N 0 3 311.404 3.413 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)nc2ccccc21 ZINC001175266408 1097997794 /nfs/dbraw/zinc/99/77/94/1097997794.db2.gz UGVGPMDIVCMRHZ-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1oc2ccccc2c1C ZINC001175339414 1098017966 /nfs/dbraw/zinc/01/79/66/1098017966.db2.gz BZXNLGJDJMNAMS-UHFFFAOYSA-N 0 3 306.793 3.203 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3F)C2(C)C)C1=O ZINC001175452095 1098066986 /nfs/dbraw/zinc/06/69/86/1098066986.db2.gz AMWXKAUJFHBCKB-RDJZCZTQSA-N 0 3 316.420 3.181 20 30 DGEDHN Cc1cnc(C#N)c(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175504516 1098073777 /nfs/dbraw/zinc/07/37/77/1098073777.db2.gz FYDGRTGXCNXQNK-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN Cc1cc(NC2=CCN(Cc3ccccc3)CC2)cnc1C#N ZINC001175504927 1098076360 /nfs/dbraw/zinc/07/63/60/1098076360.db2.gz JXHNRWBUQSMZAU-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(OCC(C)C)c1 ZINC001175687539 1098138199 /nfs/dbraw/zinc/13/81/99/1098138199.db2.gz CQIZUCKEKFYSPM-UHFFFAOYSA-N 0 3 324.852 3.183 20 30 DGEDHN N#Cc1cc[nH]c1CN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001233048153 1098212680 /nfs/dbraw/zinc/21/26/80/1098212680.db2.gz XQKYSCJKBZAAPY-HXUWFJFHSA-N 0 3 320.440 3.082 20 30 DGEDHN C#Cc1cccc(Nc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC001175975005 1098216437 /nfs/dbraw/zinc/21/64/37/1098216437.db2.gz HISOHEYPJWRZSK-UHFFFAOYSA-N 0 3 305.425 3.159 20 30 DGEDHN CCOC(=O)C[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233080788 1098222320 /nfs/dbraw/zinc/22/23/20/1098222320.db2.gz WYSANBNDJBRZLK-INIZCTEOSA-N 0 3 300.402 3.032 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@H](c2ccccc2)C1 ZINC001233081359 1098222406 /nfs/dbraw/zinc/22/24/06/1098222406.db2.gz VISDNHJYNBTPNI-FQEVSTJZSA-N 0 3 305.425 3.355 20 30 DGEDHN Cc1cncnc1OC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083609 1098224190 /nfs/dbraw/zinc/22/41/90/1098224190.db2.gz RZKKPMQPKDVPSB-UHFFFAOYSA-N 0 3 322.412 3.009 20 30 DGEDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100680 1098226832 /nfs/dbraw/zinc/22/68/32/1098226832.db2.gz LMQYKWLEBBPFJT-INIZCTEOSA-N 0 3 319.424 3.153 20 30 DGEDHN Cc1cc(Br)cc(C[NH+]2CCC(S)CC2)c1[O-] ZINC001233110219 1098228381 /nfs/dbraw/zinc/22/83/81/1098228381.db2.gz ZYIBODGACHQDFS-UHFFFAOYSA-N 0 3 316.264 3.357 20 30 DGEDHN Cc1cc(Br)cc(CN2CCC(S)CC2)c1O ZINC001233110219 1098228386 /nfs/dbraw/zinc/22/83/86/1098228386.db2.gz ZYIBODGACHQDFS-UHFFFAOYSA-N 0 3 316.264 3.357 20 30 DGEDHN CCC[C@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001277772289 1098244454 /nfs/dbraw/zinc/24/44/54/1098244454.db2.gz VOFNGKMBWLCBSV-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN C#CC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233196441 1098249709 /nfs/dbraw/zinc/24/97/09/1098249709.db2.gz UZZOJARHGHYPQC-UHFFFAOYSA-N 0 3 304.187 3.373 20 30 DGEDHN C#CC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233196441 1098249714 /nfs/dbraw/zinc/24/97/14/1098249714.db2.gz UZZOJARHGHYPQC-UHFFFAOYSA-N 0 3 304.187 3.373 20 30 DGEDHN C#CC1CCN(Cc2c3ccccc3n(C)c2C(=O)OCC)CC1 ZINC001233273176 1098270211 /nfs/dbraw/zinc/27/02/11/1098270211.db2.gz QSBKFNNYEUBMPK-UHFFFAOYSA-N 0 3 324.424 3.200 20 30 DGEDHN Oc1cc(O)c(CN2CCC(C#Cc3ccccc3)CC2)cc1O ZINC001233487137 1098347729 /nfs/dbraw/zinc/34/77/29/1098347729.db2.gz RKRQJKAEYJLBAT-UHFFFAOYSA-N 0 3 323.392 3.067 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001233491432 1098349441 /nfs/dbraw/zinc/34/94/41/1098349441.db2.gz YABDAHDCLCABGG-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN CC(C)N1CCC[C@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233510324 1098357607 /nfs/dbraw/zinc/35/76/07/1098357607.db2.gz KQRNTWHWGNGLCX-ZDUSSCGKSA-N 0 3 313.323 3.224 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2cccc(F)c2o1 ZINC001176584111 1098380291 /nfs/dbraw/zinc/38/02/91/1098380291.db2.gz AFWRWAOGYIQFNZ-UHFFFAOYSA-N 0 3 310.756 3.034 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001233601287 1098386984 /nfs/dbraw/zinc/38/69/84/1098386984.db2.gz SHWPRIAYJCZJPZ-QGZVFWFLSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233730254 1098417725 /nfs/dbraw/zinc/41/77/25/1098417725.db2.gz IRULCOLWUCWIDZ-CVEARBPZSA-N 0 3 312.523 3.407 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001233741270 1098420460 /nfs/dbraw/zinc/42/04/60/1098420460.db2.gz IFUALYLDNIFOOI-KRWDZBQOSA-N 0 3 316.449 3.003 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001233810611 1098435762 /nfs/dbraw/zinc/43/57/62/1098435762.db2.gz QXFAALFXBBQGME-OAHLLOKOSA-N 0 3 319.449 3.130 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC001233856048 1098443721 /nfs/dbraw/zinc/44/37/21/1098443721.db2.gz CSGRPWYJPYJXQG-OAHLLOKOSA-N 0 3 307.438 3.100 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233896892 1098451658 /nfs/dbraw/zinc/45/16/58/1098451658.db2.gz ACJGHEBNMMOMSC-KRWDZBQOSA-N 0 3 306.450 3.325 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C/c1ccccc1 ZINC001233947310 1098465138 /nfs/dbraw/zinc/46/51/38/1098465138.db2.gz KCXUEXOVWWWLAF-CWUFLNSKSA-N 0 3 324.468 3.426 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234001388 1098474269 /nfs/dbraw/zinc/47/42/69/1098474269.db2.gz FGCBJLJFHFGBRB-ZBFHGGJFSA-N 0 3 304.434 3.397 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001234039949 1098482817 /nfs/dbraw/zinc/48/28/17/1098482817.db2.gz RHXKPMGLROTECC-ILXRZTDVSA-N 0 3 314.420 3.167 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001234087807 1098492472 /nfs/dbraw/zinc/49/24/72/1098492472.db2.gz LKEVEFGFJMCOEU-UONOGXRCSA-N 0 3 302.409 3.145 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234161363 1098507788 /nfs/dbraw/zinc/50/77/88/1098507788.db2.gz KMPAHJUIGNGLQR-ROUUACIJSA-N 0 3 312.457 3.248 20 30 DGEDHN CCC(CC)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001234180544 1098509978 /nfs/dbraw/zinc/50/99/78/1098509978.db2.gz HIDWHTXINKQKMB-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195796 1098511623 /nfs/dbraw/zinc/51/16/23/1098511623.db2.gz NQUCMQXMHNOAOB-MOPGFXCFSA-N 0 3 310.441 3.084 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195798 1098511809 /nfs/dbraw/zinc/51/18/09/1098511809.db2.gz NQUCMQXMHNOAOB-OALUTQOASA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234332972 1098538188 /nfs/dbraw/zinc/53/81/88/1098538188.db2.gz IDZFKRIDSKEPHE-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2c(C)noc2C)CCCC1 ZINC001177548385 1098554828 /nfs/dbraw/zinc/55/48/28/1098554828.db2.gz YCLGWJPFXDEJTG-UHFFFAOYSA-N 0 3 319.449 3.024 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001177647682 1098579658 /nfs/dbraw/zinc/57/96/58/1098579658.db2.gz JNRIWRQXSAJHTH-UHFFFAOYSA-N 0 3 316.779 3.260 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001234604279 1098616567 /nfs/dbraw/zinc/61/65/67/1098616567.db2.gz NFEDFLUHLBRZSL-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN Cc1cc(NC(=O)C(C#N)Cc2cccs2)n(C2CCC2)n1 ZINC001177902874 1098643439 /nfs/dbraw/zinc/64/34/39/1098643439.db2.gz BLYLMAOVJQKIQV-LBPRGKRZSA-N 0 3 314.414 3.299 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(N2CCOCC2)c1 ZINC001235080687 1098789550 /nfs/dbraw/zinc/78/95/50/1098789550.db2.gz WEUHWMVLJVHMMW-UHFFFAOYSA-N 0 3 321.424 3.027 20 30 DGEDHN C#CCCCC(=O)NCCCCCCNC/C(Cl)=C/Cl ZINC001178328011 1098797127 /nfs/dbraw/zinc/79/71/27/1098797127.db2.gz VXRJCSKAAYVMHW-OWBHPGMISA-N 0 3 319.276 3.375 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001235103546 1098802608 /nfs/dbraw/zinc/80/26/08/1098802608.db2.gz CLNSYMMJHWLOSO-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178590918 1098867109 /nfs/dbraw/zinc/86/71/09/1098867109.db2.gz KIKZHDNBYVCLDG-UHFFFAOYSA-N 0 3 320.436 3.400 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CCCC(C)C ZINC001235372739 1098983813 /nfs/dbraw/zinc/98/38/13/1098983813.db2.gz BEYUFPUYJJYPRZ-KRWDZBQOSA-N 0 3 317.477 3.257 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001235372825 1098984154 /nfs/dbraw/zinc/98/41/54/1098984154.db2.gz CPDDHVXUPGIKRR-QGZVFWFLSA-N 0 3 317.477 3.401 20 30 DGEDHN C#CC[C@@H](COC)NCc1cc(Cl)cc(Br)c1 ZINC001179291850 1099053611 /nfs/dbraw/zinc/05/36/11/1099053611.db2.gz XTZNKPCZBCNITP-ZDUSSCGKSA-N 0 3 316.626 3.230 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179306033 1099056864 /nfs/dbraw/zinc/05/68/64/1099056864.db2.gz BQBYSBBYBHMFCX-LSDHHAIUSA-N 0 3 321.465 3.207 20 30 DGEDHN CC#CCCCC(=O)NCCCCCCNCc1nccs1 ZINC001179315879 1099068715 /nfs/dbraw/zinc/06/87/15/1099068715.db2.gz LIXANRSTUVVTBQ-UHFFFAOYSA-N 0 3 321.490 3.103 20 30 DGEDHN N#CCc1ccccc1CN1CCC(Oc2cccnc2)CC1 ZINC001235523199 1099070935 /nfs/dbraw/zinc/07/09/35/1099070935.db2.gz NDBFBVXHKGECOF-UHFFFAOYSA-N 0 3 307.397 3.191 20 30 DGEDHN Cc1cnccc1O[C@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235529369 1099078642 /nfs/dbraw/zinc/07/86/42/1099078642.db2.gz ZHHHYTPJJTYNDE-SFHVURJKSA-N 0 3 307.397 3.109 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCCC1CC1 ZINC001179369654 1099084925 /nfs/dbraw/zinc/08/49/25/1099084925.db2.gz CUMDRILOVJGOSA-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1nc(-c3ccccc3)c[nH]1)C2 ZINC001179419264 1099099381 /nfs/dbraw/zinc/09/93/81/1099099381.db2.gz JDJDQSNVSWXPDM-GOSISDBHSA-N 0 3 314.392 3.205 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001235684039 1099126348 /nfs/dbraw/zinc/12/63/48/1099126348.db2.gz IMBJVQYURSFBKV-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235686477 1099126816 /nfs/dbraw/zinc/12/68/16/1099126816.db2.gz TWUFARJATQVHFU-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCN1CCC[C@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC001179579983 1099150292 /nfs/dbraw/zinc/15/02/92/1099150292.db2.gz YZFZTXNEXICSAJ-LBPRGKRZSA-N 0 3 315.219 3.320 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C/c1ccccc1F ZINC001235799770 1099185258 /nfs/dbraw/zinc/18/52/58/1099185258.db2.gz WXXUIHXIQFTJBL-LKUPDRCFSA-N 0 3 316.420 3.338 20 30 DGEDHN N#Cc1cc(CN2CCN[C@H](c3ccccc3)C2)ccc1Cl ZINC001235865079 1099227787 /nfs/dbraw/zinc/22/77/87/1099227787.db2.gz YAYSUJIJAUIRHH-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN N#CCc1nccnc1-c1cccc(CN2CCCCC2)c1F ZINC001236002810 1099323924 /nfs/dbraw/zinc/32/39/24/1099323924.db2.gz NSIVBTPZUKIWFJ-UHFFFAOYSA-N 0 3 310.376 3.335 20 30 DGEDHN N#Cc1ncc(-c2cccc(CN3CCCCC3)c2F)nc1C#N ZINC001236006095 1099326641 /nfs/dbraw/zinc/32/66/41/1099326641.db2.gz QWEPAHGDXSBCOG-UHFFFAOYSA-N 0 3 321.359 3.012 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC001180462947 1099429340 /nfs/dbraw/zinc/42/93/40/1099429340.db2.gz WQQGJOKXKOZBDL-UHFFFAOYSA-N 0 3 324.472 3.036 20 30 DGEDHN N#CCc1nccnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236231057 1099486304 /nfs/dbraw/zinc/48/63/04/1099486304.db2.gz GEYZBBWFNCWFCY-UHFFFAOYSA-N 0 3 310.376 3.335 20 30 DGEDHN CCCCCCC/C=C/CN1CCC[C@H]([C@H](N)C(=O)OC)C1 ZINC001236273904 1099515294 /nfs/dbraw/zinc/51/52/94/1099515294.db2.gz KVWXRFPZKKEKEA-RJCHQFKYSA-N 0 3 310.482 3.115 20 30 DGEDHN Cc1cc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nc(C#N)n1 ZINC001236471909 1099631427 /nfs/dbraw/zinc/63/14/27/1099631427.db2.gz OHWDHYSLBZVBKD-MSOLQXFVSA-N 0 3 316.408 3.477 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001273553721 1099691896 /nfs/dbraw/zinc/69/18/96/1099691896.db2.gz HBDIIEIYLCLYBI-HNNXBMFYSA-N 0 3 320.864 3.247 20 30 DGEDHN CCc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)c(O)c1 ZINC001236790381 1099784516 /nfs/dbraw/zinc/78/45/16/1099784516.db2.gz WOUFLPRXGVAOTJ-UHFFFAOYSA-N 0 3 321.424 3.148 20 30 DGEDHN C#Cc1ccc(C(=O)N(C2CCCC2)C2CCN(C)CC2)cc1 ZINC001188727468 1099843347 /nfs/dbraw/zinc/84/33/47/1099843347.db2.gz CQYRWBPYOVEDLJ-UHFFFAOYSA-N 0 3 310.441 3.147 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)C[C@@H](C)NCC#CC)c1ccccc1 ZINC001278034226 1099893588 /nfs/dbraw/zinc/89/35/88/1099893588.db2.gz LPAKWPURLZAALE-MJGOQNOKSA-N 0 3 312.457 3.196 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189462685 1100064756 /nfs/dbraw/zinc/06/47/56/1100064756.db2.gz XTIAPVZSDGVEDH-QAPCUYQASA-N 0 3 313.445 3.027 20 30 DGEDHN N#Cc1cncc(CN2CCC3(CCNc4ccccc43)CC2)c1 ZINC001237320178 1100076018 /nfs/dbraw/zinc/07/60/18/1100076018.db2.gz JTPHYMHVDATEON-UHFFFAOYSA-N 0 3 318.424 3.303 20 30 DGEDHN C=CCn1cc(CN2CCC3(CCNc4ccccc43)CC2)cn1 ZINC001237322091 1100076040 /nfs/dbraw/zinc/07/60/40/1100076040.db2.gz GCZYAKJRSMAKOX-UHFFFAOYSA-N 0 3 322.456 3.419 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(C(F)F)c1 ZINC001273584207 1100091971 /nfs/dbraw/zinc/09/19/71/1100091971.db2.gz NFLYANCXIDQASV-UHFFFAOYSA-N 0 3 308.372 3.041 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001110412456 1100106172 /nfs/dbraw/zinc/10/61/72/1100106172.db2.gz MJUPTNSYZMWQNZ-OAGGEKHMSA-N 0 3 320.477 3.070 20 30 DGEDHN CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076364 1100203023 /nfs/dbraw/zinc/20/30/23/1100203023.db2.gz OXOTZDQFSULIQA-BLRBJFNZSA-N 0 3 324.468 3.282 20 30 DGEDHN Cc1cc([O-])c(C[NH+]2CCC(S)CC2)cc1Br ZINC001237683397 1100213787 /nfs/dbraw/zinc/21/37/87/1100213787.db2.gz ZHFKCBNSQZHPOK-UHFFFAOYSA-N 0 3 316.264 3.357 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C1 ZINC001190179175 1100217966 /nfs/dbraw/zinc/21/79/66/1100217966.db2.gz ZFHAQTVNGGWOOC-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)CCOCCCC)C1 ZINC001190327072 1100245934 /nfs/dbraw/zinc/24/59/34/1100245934.db2.gz AAUUTLGURWCBBB-GOSISDBHSA-N 0 3 322.493 3.104 20 30 DGEDHN C#CCN(C(=O)C[C@H](C=C)CC)C1CCN(CC(=C)C)CC1 ZINC001278176968 1100329010 /nfs/dbraw/zinc/32/90/10/1100329010.db2.gz FUBKMRXZZVCYNT-QGZVFWFLSA-N 0 3 302.462 3.091 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001273606934 1100332824 /nfs/dbraw/zinc/33/28/24/1100332824.db2.gz GKXVSMPEOUGIJU-MOPGFXCFSA-N 0 3 316.489 3.459 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001190820730 1100344380 /nfs/dbraw/zinc/34/43/80/1100344380.db2.gz CLLDWIZWYFDXRI-QZTJIDSGSA-N 0 3 324.509 3.089 20 30 DGEDHN N#CC1(c2ccccc2)CCN(Cc2cccc3cncn32)CC1 ZINC001238102318 1100361333 /nfs/dbraw/zinc/36/13/33/1100361333.db2.gz BABWYUPXDYODJI-UHFFFAOYSA-N 0 3 316.408 3.392 20 30 DGEDHN CN(C)c1ccncc1NC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190912026 1100367477 /nfs/dbraw/zinc/36/74/77/1100367477.db2.gz HLPCPTDREPZHSB-UHFFFAOYSA-N 0 3 308.385 3.201 20 30 DGEDHN COc1cc(CN(C)C[C@@H]2Cc3ccccc3O2)ccc1C#N ZINC001238417367 1100436858 /nfs/dbraw/zinc/43/68/58/1100436858.db2.gz SMZXFFBQHGRMAM-KRWDZBQOSA-N 0 3 308.381 3.002 20 30 DGEDHN CC(C)Oc1cc(CN2CCC3SC(=O)C=C3C2)ccc1F ZINC001238456283 1100449124 /nfs/dbraw/zinc/44/91/24/1100449124.db2.gz FBPKEYLRSBWJPX-MRXNPFEDSA-N 0 3 321.417 3.387 20 30 DGEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2CC3(CCC3)C2)CC1 ZINC001191773929 1100508878 /nfs/dbraw/zinc/50/88/78/1100508878.db2.gz POOKSJQDFRSQRT-IBGZPJMESA-N 0 3 309.457 3.449 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001191860225 1100527409 /nfs/dbraw/zinc/52/74/09/1100527409.db2.gz YLMCRDSJZFBAID-KRWDZBQOSA-N 0 3 318.486 3.283 20 30 DGEDHN N#Cc1cccc(CN(Cc2cccnc2)C2CCOCC2)c1 ZINC001203762440 1100658867 /nfs/dbraw/zinc/65/88/67/1100658867.db2.gz ICWFIDJYUFTFGY-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN CCCCCCC[C@H](C)NC(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001192937705 1100683482 /nfs/dbraw/zinc/68/34/82/1100683482.db2.gz IVPCRYYHZRCHFC-YESZJQIVSA-N 0 3 309.498 3.471 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432489 1100745590 /nfs/dbraw/zinc/74/55/90/1100745590.db2.gz KMNATFZVKFYQGP-IAGOWNOFSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](CC)c2ccccc2)C1 ZINC001193433141 1100746004 /nfs/dbraw/zinc/74/60/04/1100746004.db2.gz QAZCRFDLEDDTFG-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193478678 1100749948 /nfs/dbraw/zinc/74/99/48/1100749948.db2.gz OUNXDMFZDWMIRJ-IRXDYDNUSA-N 0 3 324.509 3.184 20 30 DGEDHN CCCCCCCCC(=O)N1CC[C@H](N(C)CCOCC)C1 ZINC001193643032 1100779989 /nfs/dbraw/zinc/77/99/89/1100779989.db2.gz PRCOVLBKCOMQJK-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN Cc1cnc(C)c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001239900325 1100792423 /nfs/dbraw/zinc/79/24/23/1100792423.db2.gz BGUKFWISUQCHEY-AWEZNQCLSA-N 0 3 324.384 3.104 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001194164929 1100879781 /nfs/dbraw/zinc/87/97/81/1100879781.db2.gz VLJPUYKEYSLWRE-CRAIPNDOSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174272 1100882584 /nfs/dbraw/zinc/88/25/84/1100882584.db2.gz PXWUJPOPFAAXGJ-KRWDZBQOSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194338080 1100926345 /nfs/dbraw/zinc/92/63/45/1100926345.db2.gz WXVSTNWFHCQTPP-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccc(CC#N)cc3F)c2)CC1 ZINC001240292609 1100928213 /nfs/dbraw/zinc/92/82/13/1100928213.db2.gz BAYYZFKJTDYAHP-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccc(F)c(CC#N)c3)c2)CC1 ZINC001240298405 1100931476 /nfs/dbraw/zinc/93/14/76/1100931476.db2.gz YVSSHKCZYQRTCT-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@@H](N(C)CC=C)C1)c1ccccc1 ZINC001194554781 1100965751 /nfs/dbraw/zinc/96/57/51/1100965751.db2.gz FGEBFDNSRNLASJ-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCCC[N@H+]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001194869108 1101026163 /nfs/dbraw/zinc/02/61/63/1101026163.db2.gz JJSFEPIBEXHRCZ-UHFFFAOYSA-N 0 3 316.445 3.287 20 30 DGEDHN C=CCCCCC[N@@H+]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001194869108 1101026172 /nfs/dbraw/zinc/02/61/72/1101026172.db2.gz JJSFEPIBEXHRCZ-UHFFFAOYSA-N 0 3 316.445 3.287 20 30 DGEDHN C=CCCOc1ccc(C(=O)Nc2cnccc2N(C)C)cc1 ZINC001195113904 1101075013 /nfs/dbraw/zinc/07/50/13/1101075013.db2.gz FFQFBGVWZRTNDN-UHFFFAOYSA-N 0 3 311.385 3.355 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001195966649 1101225542 /nfs/dbraw/zinc/22/55/42/1101225542.db2.gz PSNRFTJCSKIJHD-UHFFFAOYSA-N 0 3 310.457 3.429 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCCN(CCCOC(C)C)CC1 ZINC001195966509 1101225896 /nfs/dbraw/zinc/22/58/96/1101225896.db2.gz IUJWZWRYMQGVEI-UHFFFAOYSA-N 0 3 322.493 3.104 20 30 DGEDHN C=C(C)CCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196011027 1101236261 /nfs/dbraw/zinc/23/62/61/1101236261.db2.gz VMWUEBFMKDCKOO-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2onc(C)c2C)CC1 ZINC001196243148 1101277468 /nfs/dbraw/zinc/27/74/68/1101277468.db2.gz WATGGXRSEFQAEB-UHFFFAOYSA-N 0 3 319.449 3.186 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196879516 1101412616 /nfs/dbraw/zinc/41/26/16/1101412616.db2.gz BTEUTKQNCKKINZ-AWEZNQCLSA-N 0 3 314.420 3.168 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)C[C@H](OC)c1ccccc1 ZINC001152312799 1101437135 /nfs/dbraw/zinc/43/71/35/1101437135.db2.gz CGIKILDOGMNXDQ-AEFFLSMTSA-N 0 3 318.461 3.167 20 30 DGEDHN CC(C)(C)/C=C/c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001241562516 1101549760 /nfs/dbraw/zinc/54/97/60/1101549760.db2.gz KTGYCSUAZFVZNL-ABZNLYFFSA-N 0 3 301.390 3.485 20 30 DGEDHN C=CC1(CC(=O)N2CCCN(CCCF)CC2)CCCCC1 ZINC001197440798 1101559511 /nfs/dbraw/zinc/55/95/11/1101559511.db2.gz MPNUVJBJDFGGDM-UHFFFAOYSA-N 0 3 310.457 3.407 20 30 DGEDHN C#CCCN1CCCN(C(=O)CC2(C=C)CCCCC2)CC1 ZINC001197440886 1101560218 /nfs/dbraw/zinc/56/02/18/1101560218.db2.gz QEPQRCRUKOBYIB-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC001197729283 1101653717 /nfs/dbraw/zinc/65/37/17/1101653717.db2.gz GQVHJRVZPMNNHK-UHFFFAOYSA-N 0 3 317.433 3.056 20 30 DGEDHN CCN1CCN(c2ccc(-c3cc(C#N)cc(C)n3)cc2)CC1 ZINC001241743356 1101674836 /nfs/dbraw/zinc/67/48/36/1101674836.db2.gz XCEBYHDWFDXXOX-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110497396 1101707132 /nfs/dbraw/zinc/70/71/32/1101707132.db2.gz UPXHWYKXSYXJOO-QRVBRYPASA-N 0 3 310.441 3.020 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCCc2cccs2)CC1 ZINC001198053034 1101737722 /nfs/dbraw/zinc/73/77/22/1101737722.db2.gz CZJPVMXTSWFJAL-UHFFFAOYSA-N 0 3 306.475 3.181 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CN(CCC)C[C@H]1O ZINC001198076514 1101747221 /nfs/dbraw/zinc/74/72/21/1101747221.db2.gz YJCWCZMPKYXURJ-IAGOWNOFSA-N 0 3 312.498 3.089 20 30 DGEDHN CC(C)c1noc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC001203904695 1101849312 /nfs/dbraw/zinc/84/93/12/1101849312.db2.gz ADUCJIBDKMGVAK-INIZCTEOSA-N 0 3 310.401 3.444 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CC(C)(C)C)c1ccccc1OC ZINC001198529488 1101897344 /nfs/dbraw/zinc/89/73/44/1101897344.db2.gz FZAIHQMTJCEBFD-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CCCC)c1ccccc1OC ZINC001198543605 1101914530 /nfs/dbraw/zinc/91/45/30/1101914530.db2.gz QIKCTUXEFICQAU-MRXNPFEDSA-N 0 3 304.434 3.208 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C=C1CCC1)c1ccccc1OC ZINC001198655599 1101943544 /nfs/dbraw/zinc/94/35/44/1101943544.db2.gz FKWHJHLKJVBIMK-KRWDZBQOSA-N 0 3 314.429 3.129 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C(F)=C(C)C)c1ccccc1OC ZINC001198654909 1101944004 /nfs/dbraw/zinc/94/40/04/1101944004.db2.gz AOCCSGZHEBOSCX-HNNXBMFYSA-N 0 3 320.408 3.282 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198705503 1101967960 /nfs/dbraw/zinc/96/79/60/1101967960.db2.gz JQORAOFRWLGNLR-WOJBJXKFSA-N 0 3 322.408 3.055 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198826258 1101986006 /nfs/dbraw/zinc/98/60/06/1101986006.db2.gz HRKZXXLINIBUDK-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN CCN1CC=C(c2cnc(-c3cncc(C#N)c3)c(C)c2)CC1 ZINC001242271804 1102017856 /nfs/dbraw/zinc/01/78/56/1102017856.db2.gz ILLQCFSPCPCKCZ-UHFFFAOYSA-N 0 3 304.397 3.433 20 30 DGEDHN C=CCC1(C(=O)N(CC)CCNCc2cccnc2)CCCC1 ZINC001273783917 1102162906 /nfs/dbraw/zinc/16/29/06/1102162906.db2.gz RRUXBDMNZOCZPI-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN Cc1ccc(C#N)cc1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001242543145 1102199915 /nfs/dbraw/zinc/19/99/15/1102199915.db2.gz TXNDLVYAQORWPS-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN N#Cc1cc(Cl)cc(-c2cncc([C@H]3CN4CCC3CC4)n2)c1 ZINC001242568678 1102215796 /nfs/dbraw/zinc/21/57/96/1102215796.db2.gz BTFZZCVBFGPRDI-INIZCTEOSA-N 0 3 324.815 3.478 20 30 DGEDHN CCCCCN1Cc2ccccc2C[C@H]1CNC(=O)C#CC1CC1 ZINC001273814750 1102318565 /nfs/dbraw/zinc/31/85/65/1102318565.db2.gz RIYDGEDXVNMRMA-FQEVSTJZSA-N 0 3 324.468 3.133 20 30 DGEDHN N#Cc1cc(-c2cc([O-])ccc2F)ccc1OC1CC[NH2+]CC1 ZINC001242763954 1102327315 /nfs/dbraw/zinc/32/73/15/1102327315.db2.gz AHQCMJOPAGJAEC-UHFFFAOYSA-N 0 3 312.344 3.201 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](F)CC ZINC001273826592 1102346169 /nfs/dbraw/zinc/34/61/69/1102346169.db2.gz ZYQPLIRXLWKQHL-ROUUACIJSA-N 0 3 318.436 3.244 20 30 DGEDHN O=C1C=C2CN(C(=S)Nc3cccc(Cl)c3)CCC2S1 ZINC001201098712 1102484837 /nfs/dbraw/zinc/48/48/37/1102484837.db2.gz VMPXXDSKWOYJOJ-LBPRGKRZSA-N 0 3 324.858 3.311 20 30 DGEDHN C=CCOC[C@H]1CCC[C@@]12CN(CCc1ccccc1)CCO2 ZINC001201602735 1102670109 /nfs/dbraw/zinc/67/01/09/1102670109.db2.gz AOLKZWCJEKDBNZ-WOJBJXKFSA-N 0 3 315.457 3.303 20 30 DGEDHN CCCCCCCN1CCCn2nnc(COCC3CC3)c2C1 ZINC001201762411 1102721725 /nfs/dbraw/zinc/72/17/25/1102721725.db2.gz KEXWORDKWNPFCN-UHFFFAOYSA-N 0 3 320.481 3.381 20 30 DGEDHN CCCCCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC001201825883 1102739466 /nfs/dbraw/zinc/73/94/66/1102739466.db2.gz HGWZWMLNNVTRNF-UHFFFAOYSA-N 0 3 300.450 3.436 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC001202108664 1102820510 /nfs/dbraw/zinc/82/05/10/1102820510.db2.gz MBCUOUXHFHGCTJ-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C#C[C@H](NCc1cc2nc(Cl)ccc2s1)[C@H]1CCCO1 ZINC001202074804 1102835258 /nfs/dbraw/zinc/83/52/58/1102835258.db2.gz VOLOZIOCSGFDRF-WCQYABFASA-N 0 3 306.818 3.220 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc(F)c(CC#N)c3)c2)CC1 ZINC001243670677 1102904841 /nfs/dbraw/zinc/90/48/41/1102904841.db2.gz PUPLRCAQOAIMJH-UHFFFAOYSA-N 0 3 309.388 3.311 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202341056 1102933613 /nfs/dbraw/zinc/93/36/13/1102933613.db2.gz YESJQALYFAVJFQ-HBIYDYFMSA-N 0 3 319.276 3.488 20 30 DGEDHN C[NH+](C)CCOc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001243750469 1102957691 /nfs/dbraw/zinc/95/76/91/1102957691.db2.gz RIRLYKNRNPTXJP-XDHOZWIPSA-N 0 3 302.349 3.241 20 30 DGEDHN CC(C)=CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202406209 1102972024 /nfs/dbraw/zinc/97/20/24/1102972024.db2.gz HCOWJIJWFKYUQA-OALUTQOASA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2nc(C)cs2)C1 ZINC001325436328 1103031727 /nfs/dbraw/zinc/03/17/27/1103031727.db2.gz IPKWPDJPHRMMLU-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001490836628 1103035706 /nfs/dbraw/zinc/03/57/06/1103035706.db2.gz RRJPLIFSVAHBMW-INIZCTEOSA-N 0 3 304.459 3.022 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC(C)C)C2 ZINC001111103871 1103046405 /nfs/dbraw/zinc/04/64/05/1103046405.db2.gz FNYCJRRSRBERRD-KURKYZTESA-N 0 3 304.478 3.338 20 30 DGEDHN CN1CCN(Cc2ccc(NC3=CC[C@H](C#N)CC3)cc2)CC1 ZINC001212861124 1103097852 /nfs/dbraw/zinc/09/78/52/1103097852.db2.gz NFGAPBFXHHFCMV-INIZCTEOSA-N 0 3 310.445 3.053 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(c2ccccc2)CC1 ZINC001488687849 1103108629 /nfs/dbraw/zinc/10/86/29/1103108629.db2.gz HQJIPVCRCJHAFH-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=C[C@H](CC(=O)N(C)C[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001488694292 1103111223 /nfs/dbraw/zinc/11/12/23/1103111223.db2.gz UTHVSIUZFMKTFB-AEFFLSMTSA-N 0 3 300.446 3.287 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001488694299 1103112497 /nfs/dbraw/zinc/11/24/97/1103112497.db2.gz UTHVSIUZFMKTFB-WMZOPIPTSA-N 0 3 300.446 3.287 20 30 DGEDHN CCCC(C)(C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001490841483 1103125793 /nfs/dbraw/zinc/12/57/93/1103125793.db2.gz NWCYHXRZBPEZML-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCC(C)(C)C)C2 ZINC001110593087 1103214522 /nfs/dbraw/zinc/21/45/22/1103214522.db2.gz HCUVBQKNZDFABN-ZACQAIPSSA-N 0 3 304.478 3.338 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccoc1 ZINC001488988616 1103235027 /nfs/dbraw/zinc/23/50/27/1103235027.db2.gz RPVSSLLXJLHGJP-IUODEOHRSA-N 0 3 310.825 3.253 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2sc(C)nc2C)C[C@@H]1C ZINC001278377651 1103249550 /nfs/dbraw/zinc/24/95/50/1103249550.db2.gz HLUBMXXJKUUYJZ-SWLSCSKDSA-N 0 3 321.490 3.195 20 30 DGEDHN COc1cc(C)c(CN2CCC3SC(=O)C=C3C2)c(C)c1C ZINC001138724646 1103278516 /nfs/dbraw/zinc/27/85/16/1103278516.db2.gz GNZHIYBUNPAGBP-KRWDZBQOSA-N 0 3 317.454 3.395 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001489261740 1103325188 /nfs/dbraw/zinc/32/51/88/1103325188.db2.gz VBHKHCIGDIODEZ-UZLBHIALSA-N 0 3 324.468 3.447 20 30 DGEDHN Cc1ccccc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001489263368 1103325952 /nfs/dbraw/zinc/32/59/52/1103325952.db2.gz BZTKOHGTDOFCTC-AEFFLSMTSA-N 0 3 312.457 3.124 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC(C)(C)CC)cc1 ZINC001326468415 1103328901 /nfs/dbraw/zinc/32/89/01/1103328901.db2.gz MDRZXSUWTLQHCU-HNNXBMFYSA-N 0 3 300.446 3.413 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccsc2)cc1 ZINC001326494655 1103340723 /nfs/dbraw/zinc/34/07/23/1103340723.db2.gz OHTZKTBNQNLVER-AWEZNQCLSA-N 0 3 312.438 3.352 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114692244 1103392706 /nfs/dbraw/zinc/39/27/06/1103392706.db2.gz CZKHQQLFXQJLHI-VZEFYGNVSA-N 0 3 316.420 3.145 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001114753095 1103426666 /nfs/dbraw/zinc/42/66/66/1103426666.db2.gz QKYBCSLXIVRDFM-DZFIZOCASA-N 0 3 316.420 3.059 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001114754767 1103429575 /nfs/dbraw/zinc/42/95/75/1103429575.db2.gz HXEAZUPZOUFLKC-DZFIZOCASA-N 0 3 316.420 3.037 20 30 DGEDHN CCC(C)(C)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001490239408 1103518212 /nfs/dbraw/zinc/51/82/12/1103518212.db2.gz BOSOSULUINDPQY-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C(C)C)C2 ZINC001095908163 1103525627 /nfs/dbraw/zinc/52/56/27/1103525627.db2.gz DMXGGHSQMNUUML-KBMXLJTQSA-N 0 3 302.418 3.314 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001327148586 1103553916 /nfs/dbraw/zinc/55/39/16/1103553916.db2.gz UGLNBKZMRRXMMI-PVABEOQZSA-N 0 3 310.441 3.084 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc(C(F)F)c1)C1CC1 ZINC001490391666 1103590458 /nfs/dbraw/zinc/59/04/58/1103590458.db2.gz QQQKZYWBHLKFCP-UHFFFAOYSA-N 0 3 320.383 3.232 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc(C2CC2)c1)C1CC1 ZINC001490393147 1103590668 /nfs/dbraw/zinc/59/06/68/1103590668.db2.gz MLGGVNBOMPROSW-UHFFFAOYSA-N 0 3 310.441 3.172 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001490438334 1103601198 /nfs/dbraw/zinc/60/11/98/1103601198.db2.gz GWWVCFMDJKLTGT-OAHLLOKOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001490449428 1103609529 /nfs/dbraw/zinc/60/95/29/1103609529.db2.gz QYKSVSLAEQHECQ-PKOBYXMFSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)/C=C(\C)CC)C1 ZINC001327307666 1103620884 /nfs/dbraw/zinc/62/08/84/1103620884.db2.gz FLRTUGQEYUOLTL-QUSVSHMOSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001490553987 1103652536 /nfs/dbraw/zinc/65/25/36/1103652536.db2.gz CQAXSZCIWPZBEY-SFHVURJKSA-N 0 3 302.462 3.261 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CC(C)C)C2 ZINC001327540028 1103677205 /nfs/dbraw/zinc/67/72/05/1103677205.db2.gz GSQVCWGBFKDLDS-FQEVSTJZSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CCC)CC(C)C)C2 ZINC001327542567 1103678476 /nfs/dbraw/zinc/67/84/76/1103678476.db2.gz WYQQXAFIAZBNOG-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)/C=C\c2ccc[nH]2)CC1 ZINC001490614358 1103680612 /nfs/dbraw/zinc/68/06/12/1103680612.db2.gz GHWKWSWXIBCKGR-FPLPWBNLSA-N 0 3 315.461 3.307 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC001202797233 1103692647 /nfs/dbraw/zinc/69/26/47/1103692647.db2.gz FGHVXAGQPQTRJT-CVEARBPZSA-N 0 3 324.371 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3ccccc31)C2 ZINC001095936696 1103704474 /nfs/dbraw/zinc/70/44/74/1103704474.db2.gz CAKBKXMXYVWDAM-NJAFHUGGSA-N 0 3 321.424 3.146 20 30 DGEDHN C=CCCC1(CNCc2ccc(S(C)(=O)=O)o2)CCCC1 ZINC001327830945 1103736530 /nfs/dbraw/zinc/73/65/30/1103736530.db2.gz LDOXYDUMNPTTHZ-UHFFFAOYSA-N 0 3 311.447 3.299 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001490793781 1103744911 /nfs/dbraw/zinc/74/49/11/1103744911.db2.gz MFJHYHVNTRXQDM-NNPSNHGLSA-N 0 3 302.462 3.064 20 30 DGEDHN CCCCC(=O)N[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202487014 1103775206 /nfs/dbraw/zinc/77/52/06/1103775206.db2.gz AVYZNRHPXRZOLJ-RTBURBONSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1F)C2 ZINC001096195048 1103782221 /nfs/dbraw/zinc/78/22/21/1103782221.db2.gz JXYJUXDYGSHSAL-KNCCTNLNSA-N 0 3 316.420 3.227 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)C2 ZINC001096348335 1103805888 /nfs/dbraw/zinc/80/58/88/1103805888.db2.gz KSVLIDVJXNFWRW-BDXSIMOUSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1ccc(C)cc1)C2 ZINC001096376838 1103814203 /nfs/dbraw/zinc/81/42/03/1103814203.db2.gz DJIRLMURYJJBSH-QYZOEREBSA-N 0 3 324.468 3.017 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114340476 1103865431 /nfs/dbraw/zinc/86/54/31/1103865431.db2.gz GZWQTJCGCDLQJM-QLPKVWCKSA-N 0 3 318.486 3.205 20 30 DGEDHN C=C(C)CCC(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114347724 1103870839 /nfs/dbraw/zinc/87/08/39/1103870839.db2.gz ANYIVDKVFNQDPM-PNXJHZHXSA-N 0 3 310.441 3.103 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001328224245 1103879808 /nfs/dbraw/zinc/87/98/08/1103879808.db2.gz QHOWDIDXGFCPCN-YJBOKZPZSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1C)C2 ZINC001096593516 1103881978 /nfs/dbraw/zinc/88/19/78/1103881978.db2.gz OKPQAYZANXAYMB-FPAYPSAMSA-N 0 3 312.457 3.396 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C3CC3)c1)C2 ZINC001096626391 1103888219 /nfs/dbraw/zinc/88/82/19/1103888219.db2.gz SXUJWISPOHOILW-QYZOEREBSA-N 0 3 310.441 3.475 20 30 DGEDHN C=CCC[C@H](O)CNCc1cc(Br)ccc1F ZINC001252618509 1103890230 /nfs/dbraw/zinc/89/02/30/1103890230.db2.gz WGAWZGKEGGHDMZ-LBPRGKRZSA-N 0 3 302.187 3.005 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2 ZINC001096641878 1103894006 /nfs/dbraw/zinc/89/40/06/1103894006.db2.gz GBGLYPQRMMKLFQ-SAJDGTNDSA-N 0 3 324.468 3.188 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC)s1)C2 ZINC001096643461 1103894255 /nfs/dbraw/zinc/89/42/55/1103894255.db2.gz MMKNSUIGGIDMET-RDBSUJKOSA-N 0 3 319.474 3.007 20 30 DGEDHN CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111440615 1103958533 /nfs/dbraw/zinc/95/85/33/1103958533.db2.gz WWJCINSLJNLLRG-AQNXPRMDSA-N 0 3 322.452 3.116 20 30 DGEDHN C=CCOC(=O)N1CCC2(CN(Cc3cc(C)cs3)C2)CC1 ZINC001137152700 1104017214 /nfs/dbraw/zinc/01/72/14/1104017214.db2.gz ZBZOVDANVJMZHT-UHFFFAOYSA-N 0 3 320.458 3.277 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001328686918 1104021884 /nfs/dbraw/zinc/02/18/84/1104021884.db2.gz RDTQCFMPBZTWMJ-LDQXTDLNSA-N 0 3 322.452 3.128 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nc2ccccc2cc1C ZINC001328750402 1104051922 /nfs/dbraw/zinc/05/19/22/1104051922.db2.gz SEBBMLXCDAZFPN-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCC(F)(F)F)C12CCC2 ZINC001202704148 1104124867 /nfs/dbraw/zinc/12/48/67/1104124867.db2.gz OMASYHHGSOCORV-MNOVXSKESA-N 0 3 324.774 3.098 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001329044572 1104135697 /nfs/dbraw/zinc/13/56/97/1104135697.db2.gz GNMREOGCWBCKFG-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN Cc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001202740722 1104200402 /nfs/dbraw/zinc/20/04/02/1104200402.db2.gz GROLVFWAEKTVFA-AWEZNQCLSA-N 0 3 302.399 3.109 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](CC)OCC)cc2C1 ZINC001274020397 1104223521 /nfs/dbraw/zinc/22/35/21/1104223521.db2.gz APEISTURZGLSJL-GOSISDBHSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329543219 1104310208 /nfs/dbraw/zinc/31/02/08/1104310208.db2.gz WNJOBEWRSIFDOC-HNAYVOBHSA-N 0 3 318.461 3.234 20 30 DGEDHN CCC(CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001329590738 1104333361 /nfs/dbraw/zinc/33/33/61/1104333361.db2.gz XIHBMZXVJGVWHA-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001274251265 1104335471 /nfs/dbraw/zinc/33/54/71/1104335471.db2.gz NGZWWQKDCXCPQH-DYVFJYSZSA-N 0 3 322.399 3.258 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3cccc(C(C)C)c3)CC2)C1=O ZINC001274270849 1104338707 /nfs/dbraw/zinc/33/87/07/1104338707.db2.gz WYLQGYHNEFXZTC-UHFFFAOYSA-N 0 3 324.468 3.258 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1ccnc(Cl)c1 ZINC001274340671 1104357326 /nfs/dbraw/zinc/35/73/26/1104357326.db2.gz WMPKNNHVAGQANL-TUYSUELWSA-N 0 3 321.852 3.099 20 30 DGEDHN CCCCCCCCCCC[C@H](C)N[C@@H](CN)C(=O)OC ZINC001246087096 1104378322 /nfs/dbraw/zinc/37/83/22/1104378322.db2.gz XWIQKRJNWPXQTE-HOTGVXAUSA-N 0 3 300.487 3.386 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1cccc(C2CCCC2)c1 ZINC001274499284 1104397540 /nfs/dbraw/zinc/39/75/40/1104397540.db2.gz UUNUCEYHXWSZLE-SREVYHEPSA-N 0 3 310.441 3.243 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H]2CCCC[C@@H]12 ZINC001329912561 1104421317 /nfs/dbraw/zinc/42/13/17/1104421317.db2.gz SEPVFGZRAOVUGK-ARFHVFGLSA-N 0 3 318.442 3.173 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H]2CCCC[C@H]12 ZINC001329912563 1104421610 /nfs/dbraw/zinc/42/16/10/1104421610.db2.gz SEPVFGZRAOVUGK-BZUAXINKSA-N 0 3 318.442 3.173 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001274643684 1104434161 /nfs/dbraw/zinc/43/41/61/1104434161.db2.gz LARKPLSZPFWVSL-FUHWJXTLSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccc(CC)cc2)C1 ZINC001329971918 1104442755 /nfs/dbraw/zinc/44/27/55/1104442755.db2.gz NYPCZVSPXACZPP-OAHLLOKOSA-N 0 3 300.446 3.152 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001330012955 1104452502 /nfs/dbraw/zinc/45/25/02/1104452502.db2.gz LOFWWGDOANXPME-ZDUSSCGKSA-N 0 3 322.399 3.179 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2occc2s1 ZINC001274785900 1104491937 /nfs/dbraw/zinc/49/19/37/1104491937.db2.gz FTRIISAYXWCZSR-JTQLQIEISA-N 0 3 312.822 3.345 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2F)C1 ZINC001330636816 1104601633 /nfs/dbraw/zinc/60/16/33/1104601633.db2.gz OPOTXZAAPUJVIW-JOCQHMNTSA-N 0 3 322.399 3.161 20 30 DGEDHN C[C@H]1CCc2nc(CN[C@@H]3Cc4ccc(C#N)cc4C3)sc2C1 ZINC001330637862 1104601887 /nfs/dbraw/zinc/60/18/87/1104601887.db2.gz BXGCWPVWGSJBDY-BLLLJJGKSA-N 0 3 323.465 3.397 20 30 DGEDHN C=CCCC[C@@H](NC(=O)N(C)CCN(C)C)c1ccccc1 ZINC001246655902 1104650927 /nfs/dbraw/zinc/65/09/27/1104650927.db2.gz WDPYHFDKKVOIDI-QGZVFWFLSA-N 0 3 303.450 3.287 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]2CN(C)CCOC)CCCCC1 ZINC001275167198 1104660949 /nfs/dbraw/zinc/66/09/49/1104660949.db2.gz NSCXEFXIYOEXFA-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ncc(Cl)s1 ZINC001330864781 1104664898 /nfs/dbraw/zinc/66/48/98/1104664898.db2.gz BDJDJCKPXBDRHB-VIFPVBQESA-N 0 3 322.261 3.037 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCN[C@@H](C)c1cnccn1 ZINC001330884667 1104669652 /nfs/dbraw/zinc/66/96/52/1104669652.db2.gz ZLGSDNYMRMWNGJ-CABCVRRESA-N 0 3 318.465 3.014 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001275274237 1104701468 /nfs/dbraw/zinc/70/14/68/1104701468.db2.gz NUJXNVBVQNOHNI-STQMWFEESA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001275286318 1104704670 /nfs/dbraw/zinc/70/46/70/1104704670.db2.gz QQJWDKJROZAYRE-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001275355059 1104733527 /nfs/dbraw/zinc/73/35/27/1104733527.db2.gz JNBMUXKCEMQLOL-GNZFURHMSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(F)c(F)c2)C1 ZINC001275480492 1104772038 /nfs/dbraw/zinc/77/20/38/1104772038.db2.gz IFQKNRVJBXYNQC-CHWSQXEVSA-N 0 3 322.399 3.304 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1cc(C)sc1C ZINC001275545045 1104800955 /nfs/dbraw/zinc/80/09/55/1104800955.db2.gz SRYZEFXVXCVTPW-CYBMUJFWSA-N 0 3 306.475 3.105 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1CC(C)(C)C1 ZINC001275662417 1104853288 /nfs/dbraw/zinc/85/32/88/1104853288.db2.gz UAWJKNIPSQLIDB-UHFFFAOYSA-N 0 3 300.874 3.249 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@H]3CCCN3)n2)cc1Cl ZINC001247496255 1104912449 /nfs/dbraw/zinc/91/24/49/1104912449.db2.gz AEPXDWXDUSXJHK-LLVKDONJSA-N 0 3 309.156 3.340 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001275819682 1104921700 /nfs/dbraw/zinc/92/17/00/1104921700.db2.gz UGMSUWVNQBSCDA-KDOFPFPSSA-N 0 3 316.420 3.053 20 30 DGEDHN CC(C)CCCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001275936804 1104961821 /nfs/dbraw/zinc/96/18/21/1104961821.db2.gz WMODWDHOQGZONG-INIZCTEOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2nc(C)c(C)s2)C1 ZINC001276221216 1105051385 /nfs/dbraw/zinc/05/13/85/1105051385.db2.gz OZLINZYHKXACBW-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001276276654 1105073777 /nfs/dbraw/zinc/07/37/77/1105073777.db2.gz CVEPWMIJGIUBFV-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC=CCCC1)C2 ZINC001095608291 1105088728 /nfs/dbraw/zinc/08/87/28/1105088728.db2.gz RLUPPBDZKUMNRO-MHORFTMASA-N 0 3 302.462 3.421 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC)s1)C2 ZINC001095708772 1105098471 /nfs/dbraw/zinc/09/84/71/1105098471.db2.gz WFEKUYYXGOPWJF-SNPRPXQTSA-N 0 3 304.459 3.222 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110897596 1105105777 /nfs/dbraw/zinc/10/57/77/1105105777.db2.gz QWTMRPZFDSKAJS-KURKYZTESA-N 0 3 312.457 3.429 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)CCC1 ZINC001110987022 1105135111 /nfs/dbraw/zinc/13/51/11/1105135111.db2.gz GBSJBUOLPQOCQJ-JJXSEGSLSA-N 0 3 308.441 3.202 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1csc(C)c1)C2 ZINC001248803099 1105165351 /nfs/dbraw/zinc/16/53/51/1105165351.db2.gz GCSPVSOUEZITIA-IRXDYDNUSA-N 0 3 307.459 3.383 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2[nH]nc3cc(C(F)(F)F)ccc32)C1 ZINC001248847490 1105178567 /nfs/dbraw/zinc/17/85/67/1105178567.db2.gz QXKJDLKGWFNVJC-LLVKDONJSA-N 0 3 307.319 3.427 20 30 DGEDHN Cc1cc(-c2noc(C[C@H](N)c3ccccc3F)n2)ccc1C#N ZINC001249258717 1105258329 /nfs/dbraw/zinc/25/83/29/1105258329.db2.gz JXYBSIFTRKYLHR-INIZCTEOSA-N 0 3 322.343 3.298 20 30 DGEDHN C=CCN(Cc1cnc(N)nc1C(F)(F)F)C1CCCCC1 ZINC001249396453 1105280104 /nfs/dbraw/zinc/28/01/04/1105280104.db2.gz XJXFGXVQZZMAHR-UHFFFAOYSA-N 0 3 314.355 3.398 20 30 DGEDHN N#Cc1ccc2cc(CN3CCC4(C[C@@H]4CCO)CC3)[nH]c2c1 ZINC001249426796 1105285763 /nfs/dbraw/zinc/28/57/63/1105285763.db2.gz HHZQUTZYVIMYOE-INIZCTEOSA-N 0 3 309.413 3.024 20 30 DGEDHN N#Cc1cc(NC2=CC[C@H](N3CCOCC3)CC2)cc(F)c1F ZINC001249560105 1105315276 /nfs/dbraw/zinc/31/52/76/1105315276.db2.gz REJKPCHAMXYEDW-HNNXBMFYSA-N 0 3 319.355 3.017 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC001097089629 1105344260 /nfs/dbraw/zinc/34/42/60/1105344260.db2.gz XVOKHUVSQPAVMC-YHDCXSKOSA-N 0 3 324.468 3.478 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3occc3c1)C2 ZINC001097115973 1105349764 /nfs/dbraw/zinc/34/97/64/1105349764.db2.gz VRXLASREZJXKDE-ZACQAIPSSA-N 0 3 310.397 3.344 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(C2CC2)C2CC2)[C@H]1C ZINC001278533682 1105374585 /nfs/dbraw/zinc/37/45/85/1105374585.db2.gz YBYUJYMVEQZLBN-RDTXWAMCSA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(CCOC)CCCC2)[C@H]1C ZINC001278533766 1105375011 /nfs/dbraw/zinc/37/50/11/1105375011.db2.gz ZUAVFYFKWHPWGB-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(C(C)C)c1)C2 ZINC001097432973 1105393150 /nfs/dbraw/zinc/39/31/50/1105393150.db2.gz GRFQBRFYIDPVAW-AQNXPRMDSA-N 0 3 324.468 3.097 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)C2 ZINC001097540429 1105407572 /nfs/dbraw/zinc/40/75/72/1105407572.db2.gz MJOJQMYWIFNOKG-ZRNYENFQSA-N 0 3 324.468 3.478 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC001097995926 1105494217 /nfs/dbraw/zinc/49/42/17/1105494217.db2.gz MXFNURNEVXTKEL-BNOWGMLFSA-N 0 3 324.877 3.242 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1F)C2 ZINC001098060370 1105540034 /nfs/dbraw/zinc/54/00/34/1105540034.db2.gz JXYJUXDYGSHSAL-DTDBQYNISA-N 0 3 316.420 3.227 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccccc3c1)C2 ZINC001098273245 1105566241 /nfs/dbraw/zinc/56/62/41/1105566241.db2.gz DQAJFYISHSDNRR-AQNXPRMDSA-N 0 3 318.420 3.198 20 30 DGEDHN CC(C)c1ccc(OC[C@H](O)CNCc2cccc(C#N)c2)cc1 ZINC001250743068 1105574240 /nfs/dbraw/zinc/57/42/40/1105574240.db2.gz KRJIOBRKYWOIGM-LJQANCHMSA-N 0 3 324.424 3.211 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001098886402 1105610250 /nfs/dbraw/zinc/61/02/50/1105610250.db2.gz OCKNCMGZOLQIHN-UGSOOPFHSA-N 0 3 320.383 3.044 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001099027468 1105631471 /nfs/dbraw/zinc/63/14/71/1105631471.db2.gz REYOJYFKDJZKKQ-QRTARXTBSA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001099040708 1105633093 /nfs/dbraw/zinc/63/30/93/1105633093.db2.gz IHDFKGQCKSGFPH-UGSOOPFHSA-N 0 3 320.383 3.044 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)c1ccccc1)C2 ZINC001111465109 1105636912 /nfs/dbraw/zinc/63/69/12/1105636912.db2.gz DTTLEYRHVGROAQ-QRVBRYPASA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@](C)(C=C)CCOC ZINC001099159124 1105651642 /nfs/dbraw/zinc/65/16/42/1105651642.db2.gz PAXOHWHYCYFMKK-LPHOPBHVSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2CC)C1 ZINC001099172858 1105653729 /nfs/dbraw/zinc/65/37/29/1105653729.db2.gz AVSRNXGPLYBSRL-YJBOKZPZSA-N 0 3 318.486 3.471 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099214965 1105658672 /nfs/dbraw/zinc/65/86/72/1105658672.db2.gz OTLBIZNIPVXOFW-QFBILLFUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccco1 ZINC001099281749 1105664429 /nfs/dbraw/zinc/66/44/29/1105664429.db2.gz XHYSMRXCAIVWHE-OAHLLOKOSA-N 0 3 304.434 3.005 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCCOC ZINC001099299287 1105666062 /nfs/dbraw/zinc/66/60/62/1105666062.db2.gz SACNMXKOYJXJKD-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001099325784 1105668702 /nfs/dbraw/zinc/66/87/02/1105668702.db2.gz YBQHRWHLDMDUIE-CYBMUJFWSA-N 0 3 316.436 3.461 20 30 DGEDHN C=CCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC=C(C)C ZINC001099360592 1105673611 /nfs/dbraw/zinc/67/36/11/1105673611.db2.gz YXCXVHBJGMRKRE-IRXDYDNUSA-N 0 3 322.493 3.151 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CCC[C@@H](NC(=O)CC)C1 ZINC001252133742 1105747900 /nfs/dbraw/zinc/74/79/00/1105747900.db2.gz RVQAWQNZROTTJC-IAGOWNOFSA-N 0 3 312.498 3.089 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CC[C@@H](Oc2ncccn2)C1 ZINC001252134111 1105747960 /nfs/dbraw/zinc/74/79/60/1105747960.db2.gz VKEKCDCRWKFDQA-DLBZAZTESA-N 0 3 321.465 3.041 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCc1ccc(C(=O)OC)cn1 ZINC001252138727 1105749102 /nfs/dbraw/zinc/74/91/02/1105749102.db2.gz CWDXXZOYBQTRCY-QGZVFWFLSA-N 0 3 322.449 3.069 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCc1ccc(OC)nc1OC ZINC001252139698 1105749721 /nfs/dbraw/zinc/74/97/21/1105749721.db2.gz LOAKZJKHKKZBHK-MRXNPFEDSA-N 0 3 324.465 3.300 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001491119399 1105757606 /nfs/dbraw/zinc/75/76/06/1105757606.db2.gz DUFVVWKCAVBGAK-HIFRSBDPSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001491209359 1105775968 /nfs/dbraw/zinc/77/59/68/1105775968.db2.gz CHTCGJNFVXCYNY-KBPBESRZSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(CC)s2)C1 ZINC001278667853 1105781158 /nfs/dbraw/zinc/78/11/58/1105781158.db2.gz JIEMEWBDNYJUJY-QGZVFWFLSA-N 0 3 306.475 3.328 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cccnc2C)C(C)(C)C1 ZINC001278667957 1105781180 /nfs/dbraw/zinc/78/11/80/1105781180.db2.gz VRWQRIMVHXVZNM-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H](NC/C=C\Cl)C(C)(C)C2)CC1 ZINC001278667378 1105781560 /nfs/dbraw/zinc/78/15/60/1105781560.db2.gz QEGKPWRROWBGGJ-NOKKCYSASA-N 0 3 310.869 3.312 20 30 DGEDHN C=C[C@@](C)(O)CN1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001252557249 1105793513 /nfs/dbraw/zinc/79/35/13/1105793513.db2.gz IKAMEDVKTNXEFN-OAHLLOKOSA-N 0 3 315.244 3.052 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2coc(C(F)F)c2)C1 ZINC001278673124 1105796948 /nfs/dbraw/zinc/79/69/48/1105796948.db2.gz OZVHOZOFCBGXGG-INIZCTEOSA-N 0 3 312.360 3.235 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001491287957 1105799231 /nfs/dbraw/zinc/79/92/31/1105799231.db2.gz QJXIRIBTCHLYOB-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001278674124 1105801775 /nfs/dbraw/zinc/80/17/75/1105801775.db2.gz YWFUSHIVNYFYMF-GDBMZVCRSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cc(OC(F)(F)F)ccc1OC ZINC001252617042 1105805902 /nfs/dbraw/zinc/80/59/02/1105805902.db2.gz XVCFHBLIAFDBER-GFCCVEGCSA-N 0 3 319.323 3.011 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCC(O)(C(F)(F)F)CC1 ZINC001253234274 1105906323 /nfs/dbraw/zinc/90/63/23/1105906323.db2.gz YAOWMGVVRDRNFZ-CQSZACIVSA-N 0 3 323.399 3.263 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCCC[C@H]1C(=O)NCCC ZINC001253239907 1105907230 /nfs/dbraw/zinc/90/72/30/1105907230.db2.gz VQLVUEHIQISTGL-ROUUACIJSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@@H](CO)c1cccc(OC)c1 ZINC001253252231 1105911836 /nfs/dbraw/zinc/91/18/36/1105911836.db2.gz SSWOJNAUNGNWAJ-HKUYNNGSSA-N 0 3 321.461 3.206 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1cc(OCC)ccn1 ZINC001253255782 1105913363 /nfs/dbraw/zinc/91/33/63/1105913363.db2.gz MWQKFTIHFOGNBI-KRWDZBQOSA-N 0 3 306.450 3.457 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCCC(C)C)C[C@]2(C)C1 ZINC001101384405 1105915575 /nfs/dbraw/zinc/91/55/75/1105915575.db2.gz CJHGSLZCCAXKCP-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCCC3CCCCC3)C[C@]2(C)C1 ZINC001101453138 1105919947 /nfs/dbraw/zinc/91/99/47/1105919947.db2.gz XTSDHEFWESTWKF-QUCCMNQESA-N 0 3 316.489 3.151 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001253519646 1105948784 /nfs/dbraw/zinc/94/87/84/1105948784.db2.gz OKFNYLROAGQCER-UHFFFAOYSA-N 0 3 309.498 3.352 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102228904 1106040066 /nfs/dbraw/zinc/04/00/66/1106040066.db2.gz NNAARORAEXBDRJ-ZGWZEZEDSA-N 0 3 310.869 3.007 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102228902 1106040146 /nfs/dbraw/zinc/04/01/46/1106040146.db2.gz NNAARORAEXBDRJ-JBILIXEDSA-N 0 3 310.869 3.007 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(F)cc2)C1 ZINC001102638886 1106084934 /nfs/dbraw/zinc/08/49/34/1106084934.db2.gz SPBAFOSHIXPWPG-IUODEOHRSA-N 0 3 324.827 3.266 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C)o2)C1 ZINC001102650767 1106087757 /nfs/dbraw/zinc/08/77/57/1106087757.db2.gz CKELZJREAPNCIO-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001491548516 1106102253 /nfs/dbraw/zinc/10/22/53/1106102253.db2.gz QZKKIJCBDHTMMC-BDJLRTHQSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001254556043 1106103102 /nfs/dbraw/zinc/10/31/02/1106103102.db2.gz IDMWDZKVGSGZDZ-FQEVSTJZSA-N 0 3 324.424 3.438 20 30 DGEDHN COC(=O)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC001254644582 1106121064 /nfs/dbraw/zinc/12/10/64/1106121064.db2.gz ZJGLSAGNJZJVKP-CQDKDKBSSA-N 0 3 306.793 3.226 20 30 DGEDHN CC1(COc2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2F)COC1 ZINC001254658655 1106125708 /nfs/dbraw/zinc/12/57/08/1106125708.db2.gz WSXNLSONRZDDRJ-HIFRSBDPSA-N 0 3 318.392 3.023 20 30 DGEDHN C[C@@H](CC#N)NC1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254874389 1106151618 /nfs/dbraw/zinc/15/16/18/1106151618.db2.gz GAUOXNXTCPJPSZ-SYJJWHGVSA-N 0 3 321.465 3.448 20 30 DGEDHN CCCN(CCC#N)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254983829 1106162841 /nfs/dbraw/zinc/16/28/41/1106162841.db2.gz WPOLANGWTXIOOX-JYJNAYRXSA-N 0 3 321.465 3.400 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001255152568 1106192222 /nfs/dbraw/zinc/19/22/22/1106192222.db2.gz XOZDRILNCTWKAR-LSDHHAIUSA-N 0 3 321.465 3.448 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255159296 1106194272 /nfs/dbraw/zinc/19/42/72/1106194272.db2.gz SPGQBWOGQARRAU-TUVASFSCSA-N 0 3 307.438 3.199 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001255164767 1106196055 /nfs/dbraw/zinc/19/60/55/1106196055.db2.gz QKPQGAVAUAUNHC-UONOGXRCSA-N 0 3 307.438 3.058 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001255164765 1106196545 /nfs/dbraw/zinc/19/65/45/1106196545.db2.gz QKPQGAVAUAUNHC-KBPBESRZSA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@H](Cc1ccc(F)cc1)N1CCN(c2cccc(C#N)c2)CC1 ZINC001255879040 1106337085 /nfs/dbraw/zinc/33/70/85/1106337085.db2.gz UWQLWWZKPCITFF-MRXNPFEDSA-N 0 3 323.415 3.451 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](N2CCC[C@H](CC#N)C2)C1 ZINC001255914263 1106342690 /nfs/dbraw/zinc/34/26/90/1106342690.db2.gz HPJOPZKPMXXCRO-HUUCEWRRSA-N 0 3 307.438 3.012 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](CC)CC(F)(F)F)C(C)C ZINC001278926195 1106400349 /nfs/dbraw/zinc/40/03/49/1106400349.db2.gz CPRWVNGZFJSPLI-AWEZNQCLSA-N 0 3 320.399 3.157 20 30 DGEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001256449238 1106425109 /nfs/dbraw/zinc/42/51/09/1106425109.db2.gz FZEZXONZTAHNEC-KGLIPLIRSA-N 0 3 307.438 3.058 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cc(C)ns1)C(C)(C)C ZINC001278990647 1106538775 /nfs/dbraw/zinc/53/87/75/1106538775.db2.gz UCYYFJWAKXWDGU-AWEZNQCLSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CCCCC(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001278996008 1106545271 /nfs/dbraw/zinc/54/52/71/1106545271.db2.gz QMHKUQUYGBNVCJ-CQSZACIVSA-N 0 3 309.479 3.120 20 30 DGEDHN N#CCOc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC001257158515 1106546750 /nfs/dbraw/zinc/54/67/50/1106546750.db2.gz HQEUMPSZUSBZHC-IBGZPJMESA-N 0 3 308.381 3.462 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(C(CCC)CCC)CC2 ZINC001257338119 1106569829 /nfs/dbraw/zinc/56/98/29/1106569829.db2.gz RUAYRMDHCQRIMO-UHFFFAOYSA-N 0 3 305.466 3.450 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN([C@H](C)CCCCC)CC2 ZINC001257509316 1106599717 /nfs/dbraw/zinc/59/97/17/1106599717.db2.gz FMEBHBGHMKEPFV-OAHLLOKOSA-N 0 3 305.466 3.450 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H](C)CCCCC ZINC001257515827 1106601305 /nfs/dbraw/zinc/60/13/05/1106601305.db2.gz VOQQZYVIKRZKPN-DOTOQJQBSA-N 0 3 305.466 3.491 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001279025100 1106609226 /nfs/dbraw/zinc/60/92/26/1106609226.db2.gz MLFIDNIHVJIVLU-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001279033792 1106620648 /nfs/dbraw/zinc/62/06/48/1106620648.db2.gz FESKUNMJWAVRMY-CVEARBPZSA-N 0 3 306.425 3.046 20 30 DGEDHN C[C@@H](CC#N)NC1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257754968 1106626159 /nfs/dbraw/zinc/62/61/59/1106626159.db2.gz DJJBOZWSQOODEA-ZDUSSCGKSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H](NCCC#N)C2 ZINC001257788340 1106629319 /nfs/dbraw/zinc/62/93/19/1106629319.db2.gz PLDVYHYUGPJGRX-WMLDXEAASA-N 0 3 307.438 3.059 20 30 DGEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@@H](C)Cc1ccco1)CCO2 ZINC001258191124 1106692200 /nfs/dbraw/zinc/69/22/00/1106692200.db2.gz AOEMWUYXYHVYFL-JENIJYKNSA-N 0 3 319.445 3.284 20 30 DGEDHN CC#CCN(CCCNC(=O)c1c(C)cccc1Cl)C1CC1 ZINC001316923527 1106768365 /nfs/dbraw/zinc/76/83/65/1106768365.db2.gz RWEOCPHNUWLEDC-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cncc(-c2ccccc2)c1 ZINC001320007371 1106779856 /nfs/dbraw/zinc/77/98/56/1106779856.db2.gz NFAFCDVTLNWNLV-UHFFFAOYSA-N 0 3 323.440 3.329 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1oc2c(cccc2F)c1C ZINC001320009316 1106780908 /nfs/dbraw/zinc/78/09/08/1106780908.db2.gz QSNGIOIEWYWCEJ-UHFFFAOYSA-N 0 3 318.392 3.460 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001320062146 1106832860 /nfs/dbraw/zinc/83/28/60/1106832860.db2.gz QPYHXBAZGUOEJQ-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001316982958 1106846203 /nfs/dbraw/zinc/84/62/03/1106846203.db2.gz MCRAFSKLIPDIEU-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)CCN(C)CC(=C)C)c1ccccc1 ZINC001320085100 1106852628 /nfs/dbraw/zinc/85/26/28/1106852628.db2.gz OWXRUIYMHMSSLO-KRWDZBQOSA-N 0 3 300.446 3.313 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC)c(COCC)c2)C1 ZINC001320091649 1106863161 /nfs/dbraw/zinc/86/31/61/1106863161.db2.gz JWGYEHFWZSKTKV-KRWDZBQOSA-N 0 3 305.418 3.009 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001320097684 1106868970 /nfs/dbraw/zinc/86/89/70/1106868970.db2.gz SPZZBURSVZLNDC-UHFFFAOYSA-N 0 3 306.793 3.276 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC001316992551 1106872061 /nfs/dbraw/zinc/87/20/61/1106872061.db2.gz RBJZGKCOBMHABY-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2ccoc2)CC1 ZINC001317004289 1106886449 /nfs/dbraw/zinc/88/64/49/1106886449.db2.gz RZPPAACYRWSALD-UHFFFAOYSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001258727312 1106930946 /nfs/dbraw/zinc/93/09/46/1106930946.db2.gz GOCUMIUCBGFXID-MJGOQNOKSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001258733946 1106941446 /nfs/dbraw/zinc/94/14/46/1106941446.db2.gz OWYZOZCMRKLOBS-CZUORRHYSA-N 0 3 300.418 3.280 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC001320320751 1106958568 /nfs/dbraw/zinc/95/85/68/1106958568.db2.gz IFDQXCOWQCKHTA-MRXNPFEDSA-N 0 3 313.397 3.132 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCNCc1nc(C(C)(C)C)cs1 ZINC001320361015 1106978126 /nfs/dbraw/zinc/97/81/26/1106978126.db2.gz DQXNCZJEYGMFGS-CYBMUJFWSA-N 0 3 323.506 3.391 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317085374 1106978844 /nfs/dbraw/zinc/97/88/44/1106978844.db2.gz JHKAXNDVDZVQDN-WGSAOQKQSA-N 0 3 310.441 3.021 20 30 DGEDHN CCOC(=O)C1(C#N)CCN([C@@H](CC)Cc2ccccc2)CC1 ZINC001258851593 1107024301 /nfs/dbraw/zinc/02/43/01/1107024301.db2.gz IDQZBVJHXRZHEE-KRWDZBQOSA-N 0 3 314.429 3.177 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001320515479 1107036283 /nfs/dbraw/zinc/03/62/83/1107036283.db2.gz ATZQSBNOBWBWMG-QOBZYLRHSA-N 0 3 311.429 3.065 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1coc(C(F)F)c1 ZINC001320529905 1107044619 /nfs/dbraw/zinc/04/46/19/1107044619.db2.gz ODRKMKPXTFVVPD-VIFPVBQESA-N 0 3 306.740 3.068 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1C ZINC001320645350 1107087295 /nfs/dbraw/zinc/08/72/95/1107087295.db2.gz NYRVXOUSBGPQOP-HUUCEWRRSA-N 0 3 308.853 3.335 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2cccc(F)c2o1 ZINC001320645252 1107087712 /nfs/dbraw/zinc/08/77/12/1107087712.db2.gz LSJLMECSEVJRIQ-LLVKDONJSA-N 0 3 324.783 3.422 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)=C2CCCC2)C1 ZINC001317203376 1107119995 /nfs/dbraw/zinc/11/99/95/1107119995.db2.gz ZBTYWNODKNYSPG-AEFFLSMTSA-N 0 3 302.462 3.117 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001317237338 1107162330 /nfs/dbraw/zinc/16/23/30/1107162330.db2.gz XLEXOAGXKMSIAE-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@@H](N[C@@H](C)CNC(=O)C#CC(C)(C)C)c1ccccc1F ZINC001317239332 1107163968 /nfs/dbraw/zinc/16/39/68/1107163968.db2.gz BSTFBQPPYOXJIU-UONOGXRCSA-N 0 3 304.409 3.031 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2ccc(F)c(F)c2)CC1 ZINC001317263519 1107184405 /nfs/dbraw/zinc/18/44/05/1107184405.db2.gz DUKRFSUPSMMTPA-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2ccc(Cl)nc2)CC1 ZINC001317266017 1107186615 /nfs/dbraw/zinc/18/66/15/1107186615.db2.gz PQIJKQIOVYTOHZ-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001317283458 1107207370 /nfs/dbraw/zinc/20/73/70/1107207370.db2.gz WWGTTXKVVLLPAR-DZGCQCFKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H](C)NCc1cccnc1)c1ccccc1 ZINC001317294272 1107216395 /nfs/dbraw/zinc/21/63/95/1107216395.db2.gz KCRBULNAAPWSHL-WMZOPIPTSA-N 0 3 323.440 3.036 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccccc2CC(C)(C)C)C1 ZINC001317300941 1107219708 /nfs/dbraw/zinc/21/97/08/1107219708.db2.gz LUBPQPOORABSDV-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN Cc1n[nH]c(=O)c(CN[C@H]2CCCCc3cc(C#N)ccc32)c1C ZINC001321085871 1107244916 /nfs/dbraw/zinc/24/49/16/1107244916.db2.gz PSWOPQXKKCAWKO-SFHVURJKSA-N 0 3 322.412 3.228 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001321183582 1107277556 /nfs/dbraw/zinc/27/75/56/1107277556.db2.gz DALUKDKTJUVNMI-SREVYHEPSA-N 0 3 304.409 3.108 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001317381938 1107291007 /nfs/dbraw/zinc/29/10/07/1107291007.db2.gz CCAJZIWIORDVRW-KZNAEPCWSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001317384515 1107295746 /nfs/dbraw/zinc/29/57/46/1107295746.db2.gz XJIYHCXINIBRKN-LKQLOZHYSA-N 0 3 310.441 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](C)NCc1oc(C(C)C)nc1C ZINC001317401802 1107318539 /nfs/dbraw/zinc/31/85/39/1107318539.db2.gz DVPDHPQFZKSXNV-CYBMUJFWSA-N 0 3 321.465 3.303 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C#CC(C)(C)C ZINC001317421152 1107346276 /nfs/dbraw/zinc/34/62/76/1107346276.db2.gz MGQIQQVHKBEJRS-HNNXBMFYSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001317460271 1107410071 /nfs/dbraw/zinc/41/00/71/1107410071.db2.gz VFLGFPBRPWSJRA-IBGZPJMESA-N 0 3 302.462 3.454 20 30 DGEDHN CCN(CCNC(=O)C1CCCCC1)Cc1ccc(C#N)cc1 ZINC001317474353 1107430812 /nfs/dbraw/zinc/43/08/12/1107430812.db2.gz GUNVUWPBZNCSIW-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCN(C[C@@H](F)CC)C2)CCCC1 ZINC001317538696 1107499687 /nfs/dbraw/zinc/49/96/87/1107499687.db2.gz KSKSYQSCVYSWEK-CVEARBPZSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001317545845 1107512933 /nfs/dbraw/zinc/51/29/33/1107512933.db2.gz KKFKNNLXFDKYCJ-SFHVURJKSA-N 0 3 318.436 3.027 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001317545935 1107514865 /nfs/dbraw/zinc/51/48/65/1107514865.db2.gz MHXOYVLXKJGFHY-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(-c2ccco2)s1)C1CC1 ZINC001317559007 1107539340 /nfs/dbraw/zinc/53/93/40/1107539340.db2.gz PHAAMONSUJNCDM-UHFFFAOYSA-N 0 3 316.426 3.388 20 30 DGEDHN Cc1ccc(C(=O)N(C)CCNCc2cccc(C#N)c2)c(C)c1 ZINC001317659254 1107583930 /nfs/dbraw/zinc/58/39/30/1107583930.db2.gz VJGDIZUCNOSATE-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccc(C)c(C)n1)c1ccccc1 ZINC001317720336 1107621375 /nfs/dbraw/zinc/62/13/75/1107621375.db2.gz CRVKLHFKTWMTNY-IBGZPJMESA-N 0 3 323.440 3.335 20 30 DGEDHN CC(C)c1ccc(CC2CCN(C[C@H](O)CC#N)CC2)cc1 ZINC001262260413 1107661417 /nfs/dbraw/zinc/66/14/17/1107661417.db2.gz MJCVNLPYBCELGC-LJQANCHMSA-N 0 3 300.446 3.339 20 30 DGEDHN CN(CCCNCc1ccccc1C#N)C(=O)/C=C/C(C)(C)C ZINC001322442856 1107674660 /nfs/dbraw/zinc/67/46/60/1107674660.db2.gz PBWGBZOANRRJCG-ZHACJKMWSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc(Cl)c1C ZINC001322519589 1107696628 /nfs/dbraw/zinc/69/66/28/1107696628.db2.gz KCEHHGNYFGBXAK-UHFFFAOYSA-N 0 3 315.244 3.453 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001317987108 1107783318 /nfs/dbraw/zinc/78/33/18/1107783318.db2.gz AADUMETYFKNEDO-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001317987257 1107784037 /nfs/dbraw/zinc/78/40/37/1107784037.db2.gz GNNZAWCLTMAQJM-IRXDYDNUSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCOCCN(C)Cc1ccc(OCc2ccccc2)cc1 ZINC001323093708 1107832128 /nfs/dbraw/zinc/83/21/28/1107832128.db2.gz KJGYWMVYOYFCOJ-UHFFFAOYSA-N 0 3 309.409 3.347 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001318147062 1107861166 /nfs/dbraw/zinc/86/11/66/1107861166.db2.gz WQCVEFZDWIUPNE-QGZVFWFLSA-N 0 3 314.473 3.454 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CSC ZINC001318190242 1107890138 /nfs/dbraw/zinc/89/01/38/1107890138.db2.gz IMLGOBAOQDAFIK-JYJNAYRXSA-N 0 3 312.523 3.241 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C1(COC)CCCCC1 ZINC001323245899 1107903608 /nfs/dbraw/zinc/90/36/08/1107903608.db2.gz IBESJXSNTWFBCB-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CC1 ZINC001318228761 1107908223 /nfs/dbraw/zinc/90/82/23/1107908223.db2.gz QGOMTLWLYHSGTF-SZMVWBNQSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001323333998 1107940765 /nfs/dbraw/zinc/94/07/65/1107940765.db2.gz GUVNHEDVSSKXGF-CABCVRRESA-N 0 3 304.434 3.391 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001318334109 1107945443 /nfs/dbraw/zinc/94/54/43/1107945443.db2.gz QBVHSMFVWPCHHN-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001323341472 1107945626 /nfs/dbraw/zinc/94/56/26/1107945626.db2.gz VHXLANAREGHALZ-GOEBONIOSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001323340662 1107945778 /nfs/dbraw/zinc/94/57/78/1107945778.db2.gz PZJULHDLHWUDHQ-ZCYBBYNQSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCc3cccs3)C2)CCC1 ZINC001318355376 1107955885 /nfs/dbraw/zinc/95/58/85/1107955885.db2.gz DKVJRYZETPBWRO-OAHLLOKOSA-N 0 3 318.486 3.228 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@]1(C)CCc2ccccc21 ZINC001323372550 1107956588 /nfs/dbraw/zinc/95/65/88/1107956588.db2.gz ZAELTIIABVRPAJ-YLJYHZDGSA-N 0 3 312.457 3.047 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC001323372273 1107956669 /nfs/dbraw/zinc/95/66/69/1107956669.db2.gz UBFDLRDSARLUDG-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN N#CC(=C([O-])c1cn2c(n1)CCCC2)c1ccc2ccccc2n1 ZINC001263137316 1107957120 /nfs/dbraw/zinc/95/71/20/1107957120.db2.gz BUEJMPPXZSQMAB-CQSZACIVSA-N 0 3 316.364 3.258 20 30 DGEDHN N#CC(C(=O)c1cn2c(n1)CCCC2)c1ccc2ccccc2n1 ZINC001263137316 1107957131 /nfs/dbraw/zinc/95/71/31/1107957131.db2.gz BUEJMPPXZSQMAB-CQSZACIVSA-N 0 3 316.364 3.258 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001318357623 1107958128 /nfs/dbraw/zinc/95/81/28/1107958128.db2.gz AEUCAZQLAIOARY-OAHLLOKOSA-N 0 3 319.449 3.349 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](CC)C2CCC(C)CC2)CC1 ZINC001323459209 1107981629 /nfs/dbraw/zinc/98/16/29/1107981629.db2.gz FMKANVQXQUXMKJ-OFLPRAFFSA-N 0 3 304.478 3.101 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001318401028 1107982135 /nfs/dbraw/zinc/98/21/35/1107982135.db2.gz YIUKTRRZJAQLHA-FQEVSTJZSA-N 0 3 324.468 3.012 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCc3ccc(C)cc3)CC2)CCC1 ZINC001323539586 1108004871 /nfs/dbraw/zinc/00/48/71/1108004871.db2.gz HCIPLDLNUWKDKB-UHFFFAOYSA-N 0 3 312.457 3.480 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3cc(F)ccc3C)CC2)C1 ZINC001323541649 1108007480 /nfs/dbraw/zinc/00/74/80/1108007480.db2.gz VSZGZVHBKCLYFD-UHFFFAOYSA-N 0 3 316.420 3.229 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001318484369 1108044209 /nfs/dbraw/zinc/04/42/09/1108044209.db2.gz JRPHHLPUUCNDLG-ZWKOTPCHSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001318492147 1108054126 /nfs/dbraw/zinc/05/41/26/1108054126.db2.gz NUOSXQHIUUYETF-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1cc(C)ns1 ZINC001318527490 1108081136 /nfs/dbraw/zinc/08/11/36/1108081136.db2.gz NHMFMIVDRKVBDD-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001323812301 1108091515 /nfs/dbraw/zinc/09/15/15/1108091515.db2.gz KKMQHZSXDIGNMM-HKUYNNGSSA-N 0 3 322.468 3.243 20 30 DGEDHN CCCC1(C(=O)NC[C@@H](CC)NCc2ccc(C#N)s2)CC1 ZINC001318569264 1108101222 /nfs/dbraw/zinc/10/12/22/1108101222.db2.gz HEBLXWUFTODGPV-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN CCO[C@@H](C(=O)C(C#N)c1ncc(Cl)n1C)c1ccccc1 ZINC001263616183 1108110662 /nfs/dbraw/zinc/11/06/62/1108110662.db2.gz PUJOGLVHISBPDB-SWLSCSKDSA-N 0 3 317.776 3.028 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2cncs2)CCCC1 ZINC001318614436 1108125155 /nfs/dbraw/zinc/12/51/55/1108125155.db2.gz NWHQAHXJCWSJHF-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2(F)CCCC2)CCCC1 ZINC001318641845 1108136259 /nfs/dbraw/zinc/13/62/59/1108136259.db2.gz HJBAGYBGUVJLGV-UHFFFAOYSA-N 0 3 302.821 3.040 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2CC(C)C)CCCC1 ZINC001318655197 1108140746 /nfs/dbraw/zinc/14/07/46/1108140746.db2.gz XDRCPGUZASKFHT-HUUCEWRRSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C[C@H](COC)NCc1cccc(OCc2ccccc2C#N)c1 ZINC001324014781 1108148118 /nfs/dbraw/zinc/14/81/18/1108148118.db2.gz IJOVWPOZFGIUCP-LJQANCHMSA-N 0 3 322.408 3.428 20 30 DGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC001324022672 1108150015 /nfs/dbraw/zinc/15/00/15/1108150015.db2.gz RRHCQVUPEQPNEU-HIFRSBDPSA-N 0 3 305.422 3.068 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CC[C@H](C)CC1)C1CC1 ZINC001318726606 1108168057 /nfs/dbraw/zinc/16/80/57/1108168057.db2.gz ABAKZPSQMNPGIW-SUYBPPKGSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cccn1C(C)C)C1CC1 ZINC001318728382 1108170203 /nfs/dbraw/zinc/17/02/03/1108170203.db2.gz OGXONGIBWYUURT-KRWDZBQOSA-N 0 3 323.868 3.310 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(C)CCC(F)(F)CC1 ZINC001263801657 1108207129 /nfs/dbraw/zinc/20/71/29/1108207129.db2.gz AIVAZBMVTXFGLP-AWEZNQCLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)Cc2occc2C)C1 ZINC001318831092 1108209043 /nfs/dbraw/zinc/20/90/43/1108209043.db2.gz MVJGYNUOESMBJB-OAHLLOKOSA-N 0 3 324.852 3.101 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](OCC)C1CCCC1 ZINC001263805086 1108209995 /nfs/dbraw/zinc/20/99/95/1108209995.db2.gz LCDBFAJYDOANNO-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccccc1C ZINC001263812343 1108218461 /nfs/dbraw/zinc/21/84/61/1108218461.db2.gz LROUQCFOABSNBY-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001324341886 1108258170 /nfs/dbraw/zinc/25/81/70/1108258170.db2.gz DFPLEUPRFRTXMX-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001319106673 1108316870 /nfs/dbraw/zinc/31/68/70/1108316870.db2.gz LAXXONDFXFJODP-DOMZBBRYSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](CNCCF)C2CCCC2)CCCC1 ZINC001324517155 1108327093 /nfs/dbraw/zinc/32/70/93/1108327093.db2.gz DRFVSEVJHQJION-INIZCTEOSA-N 0 3 310.457 3.357 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)CC(C)C)C2 ZINC001324557110 1108339928 /nfs/dbraw/zinc/33/99/28/1108339928.db2.gz OFYLEVJTSRDBEV-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cnns2)[C@H]1CC ZINC001264045687 1108351508 /nfs/dbraw/zinc/35/15/08/1108351508.db2.gz LUBMMCGBUIKZPX-UONOGXRCSA-N 0 3 324.494 3.091 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001319238281 1108379728 /nfs/dbraw/zinc/37/97/28/1108379728.db2.gz SDHLTXRGTIIMFZ-FZKQIMNGSA-N 0 3 324.415 3.409 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2cccc(Cl)c2)C1 ZINC001324633418 1108388404 /nfs/dbraw/zinc/38/84/04/1108388404.db2.gz TXATZENTFSLMLS-SFHVURJKSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001264363617 1108470833 /nfs/dbraw/zinc/47/08/33/1108470833.db2.gz YHBBUDILRLGUOX-CYBMUJFWSA-N 0 3 318.383 3.218 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001264368502 1108475709 /nfs/dbraw/zinc/47/57/09/1108475709.db2.gz GOMLBURCYVMFCG-LJQANCHMSA-N 0 3 312.457 3.221 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@@H]1C=CCCC1 ZINC001319475959 1108485053 /nfs/dbraw/zinc/48/50/53/1108485053.db2.gz BCFRSXZXWVPQBO-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@H]1C=CCCC1 ZINC001319475957 1108485338 /nfs/dbraw/zinc/48/53/38/1108485338.db2.gz BCFRSXZXWVPQBO-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001264375179 1108488595 /nfs/dbraw/zinc/48/85/95/1108488595.db2.gz VXGJCQWTKLLVOZ-VQIMIIECSA-N 0 3 314.473 3.461 20 30 DGEDHN C#CCn1ccc(CN(CC)c2c(C)cnc3ccccc32)n1 ZINC001324874190 1108490848 /nfs/dbraw/zinc/49/08/48/1108490848.db2.gz VKKRJKIATXRYQA-UHFFFAOYSA-N 0 3 304.397 3.399 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc3ccncc3c2)C1 ZINC001324973656 1108542926 /nfs/dbraw/zinc/54/29/26/1108542926.db2.gz YELSUGQIYOXGRU-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001319604261 1108551793 /nfs/dbraw/zinc/55/17/93/1108551793.db2.gz VQFRUIXKJHNLRI-ZIAGYGMSSA-N 0 3 321.490 3.286 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C ZINC001325232889 1108602784 /nfs/dbraw/zinc/60/27/84/1108602784.db2.gz VIJHWTVCJHLABL-QLFBSQMISA-N 0 3 317.408 3.334 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCC)c(OCC)c2)C1 ZINC001325298845 1108616837 /nfs/dbraw/zinc/61/68/37/1108616837.db2.gz HLPTWBYNDMOKBH-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001325338082 1108626246 /nfs/dbraw/zinc/62/62/46/1108626246.db2.gz AAQGPKLRFNSMKF-IHTDDFKSSA-N 0 3 322.880 3.476 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C(C)(C)CCC)C2)CC1 ZINC001325363463 1108633920 /nfs/dbraw/zinc/63/39/20/1108633920.db2.gz SZNWZBDYINTQPX-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1coc(C(F)F)c1 ZINC001264742909 1108641492 /nfs/dbraw/zinc/64/14/92/1108641492.db2.gz LWNNPVDUNDYLOY-ZDUSSCGKSA-N 0 3 312.360 3.330 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)ccc1F ZINC001264744268 1108643225 /nfs/dbraw/zinc/64/32/25/1108643225.db2.gz QCZUUWCJJIYZPJ-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cnoc1C ZINC001319861255 1108667302 /nfs/dbraw/zinc/66/73/02/1108667302.db2.gz MUJRFDSVTPHYFQ-RHSMWYFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N1CCC(CCN(C)Cc2cncs2)CC1 ZINC001319874987 1108673615 /nfs/dbraw/zinc/67/36/15/1108673615.db2.gz JGVRCZHZVAVHCU-UHFFFAOYSA-N 0 3 321.490 3.170 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1ccccc1C)C(C)C ZINC001319946001 1108707257 /nfs/dbraw/zinc/70/72/57/1108707257.db2.gz CNQFPQLBAPIJBQ-QGZVFWFLSA-N 0 3 322.880 3.411 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCc1ccoc1 ZINC001265084086 1108726995 /nfs/dbraw/zinc/72/69/95/1108726995.db2.gz XFIIWFKEERBTCI-GDBMZVCRSA-N 0 3 324.852 3.324 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cccn1CC ZINC001265094965 1108730790 /nfs/dbraw/zinc/73/07/90/1108730790.db2.gz MNVFVFKYYJHRSO-CABCVRRESA-N 0 3 323.868 3.233 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccn1CC ZINC001265094966 1108731537 /nfs/dbraw/zinc/73/15/37/1108731537.db2.gz MNVFVFKYYJHRSO-GJZGRUSLSA-N 0 3 323.868 3.233 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@H](CC)C(C)(C)C)C1CC1 ZINC001265180977 1108760854 /nfs/dbraw/zinc/76/08/54/1108760854.db2.gz ITXPKHOGVAVYNX-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@@H](CC)C(C)(C)C)C1CC1 ZINC001265180978 1108761407 /nfs/dbraw/zinc/76/14/07/1108761407.db2.gz ITXPKHOGVAVYNX-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001265276534 1108801719 /nfs/dbraw/zinc/80/17/19/1108801719.db2.gz DWZUKHNOYANBSK-MRXNPFEDSA-N 0 3 304.434 3.447 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001265303457 1108816141 /nfs/dbraw/zinc/81/61/41/1108816141.db2.gz IOTSCWLFKCXBSQ-WBVHZDCISA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C(CC)(CC)CC)CC1 ZINC001265334306 1108830487 /nfs/dbraw/zinc/83/04/87/1108830487.db2.gz ONWGRDFJAWNPLV-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C[C@H](C)SC)CC1 ZINC001265337868 1108832101 /nfs/dbraw/zinc/83/21/01/1108832101.db2.gz YWLWAQZEBFDDFT-HNNXBMFYSA-N 0 3 312.523 3.407 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1ccc(F)cc1Cl)C1CC1 ZINC001265348188 1108838258 /nfs/dbraw/zinc/83/82/58/1108838258.db2.gz NFLYPLWKBFYZFL-INIZCTEOSA-N 0 3 324.827 3.430 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1OCC ZINC001265402346 1108863888 /nfs/dbraw/zinc/86/38/88/1108863888.db2.gz OFCHWFGBECUDCZ-XDNAFOTISA-N 0 3 322.493 3.057 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@H]1C ZINC001265406790 1108864968 /nfs/dbraw/zinc/86/49/68/1108864968.db2.gz GFGMGHZKMKYBSJ-XDNAFOTISA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001265432241 1108870537 /nfs/dbraw/zinc/87/05/37/1108870537.db2.gz DWFBXBKFZPCYCK-INIZCTEOSA-N 0 3 304.459 3.207 20 30 DGEDHN CC#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001265517646 1108897034 /nfs/dbraw/zinc/89/70/34/1108897034.db2.gz IUFPKLXNOQNORJ-HXGNYLIQSA-N 0 3 308.853 3.044 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)(C)CC)C1 ZINC001265523018 1108898634 /nfs/dbraw/zinc/89/86/34/1108898634.db2.gz GKGOYZMOKOJLIC-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCCC(C)C)C1 ZINC001265523552 1108899361 /nfs/dbraw/zinc/89/93/61/1108899361.db2.gz MQPIBWWHGXVPEY-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001265595023 1108926644 /nfs/dbraw/zinc/92/66/44/1108926644.db2.gz QGKVZFFPEKWZEG-IAGOWNOFSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001265619869 1108935010 /nfs/dbraw/zinc/93/50/10/1108935010.db2.gz VUNVTXNQKZAXET-YFBAIUBQSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cc(C)ccc1F ZINC001265656234 1108953392 /nfs/dbraw/zinc/95/33/92/1108953392.db2.gz YUVRJNRONQQYFX-KRWDZBQOSA-N 0 3 318.436 3.223 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001265705988 1108977322 /nfs/dbraw/zinc/97/73/22/1108977322.db2.gz PJYCKNHJPDHAEC-MAUKXSAKSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001265706735 1108977787 /nfs/dbraw/zinc/97/77/87/1108977787.db2.gz YWNBYOPLVBGBRL-BMEWNCGWSA-N 0 3 310.869 3.149 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001265811874 1109011050 /nfs/dbraw/zinc/01/10/50/1109011050.db2.gz ZAYJUJYWUQMXOW-OAHLLOKOSA-N 0 3 312.413 3.221 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)NCc1cc(C)ccc1OC ZINC001265821628 1109015893 /nfs/dbraw/zinc/01/58/93/1109015893.db2.gz XCZUWDQDPMRPML-HNAYVOBHSA-N 0 3 318.461 3.200 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1[nH]c(C)cc1C ZINC001265996616 1109059582 /nfs/dbraw/zinc/05/95/82/1109059582.db2.gz GJTQGNFTENTPDE-HUUCEWRRSA-N 0 3 323.868 3.357 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@H](C)c2cccc(F)c2)CC1 ZINC001266190261 1109121511 /nfs/dbraw/zinc/12/15/11/1109121511.db2.gz QXBRBNUEJFMKOV-HNNXBMFYSA-N 0 3 318.436 3.428 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001266214713 1109129323 /nfs/dbraw/zinc/12/93/23/1109129323.db2.gz FXAAJCFHVJYZTB-OALUTQOASA-N 0 3 312.457 3.378 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC001266233909 1109134809 /nfs/dbraw/zinc/13/48/09/1109134809.db2.gz UCAQRHUPSQGMLI-AEFFLSMTSA-N 0 3 312.457 3.467 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(C3CC3)CC2)cc1 ZINC001280350228 1109188210 /nfs/dbraw/zinc/18/82/10/1109188210.db2.gz GGRRYHOZEQYMOO-HNNXBMFYSA-N 0 3 310.441 3.167 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001280760847 1109250059 /nfs/dbraw/zinc/25/00/59/1109250059.db2.gz SUFVFVNKYWUNAS-ACGJQVIASA-N 0 3 324.468 3.474 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN1CC1CC(F)(F)C1 ZINC001316606636 1109262459 /nfs/dbraw/zinc/26/24/59/1109262459.db2.gz WZBBSAKNXJBJPI-GDBMZVCRSA-N 0 3 314.420 3.167 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001281379604 1109343178 /nfs/dbraw/zinc/34/31/78/1109343178.db2.gz WSAVBBQMHMETSS-BLLLJJGKSA-N 0 3 324.827 3.382 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1ccccc1C ZINC001281968506 1109424810 /nfs/dbraw/zinc/42/48/10/1109424810.db2.gz NGPQAWUXIUZCOX-DLBZAZTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1OC ZINC001282131402 1109455311 /nfs/dbraw/zinc/45/53/11/1109455311.db2.gz CKEMBOIPVPRZTQ-JKSUJKDBSA-N 0 3 318.461 3.343 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cccc(C(C)C)n1 ZINC001282170144 1109462132 /nfs/dbraw/zinc/46/21/32/1109462132.db2.gz YAAZUSBKTXUUTC-CABCVRRESA-N 0 3 317.477 3.400 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1Cc2ccccc21 ZINC001282310798 1109482377 /nfs/dbraw/zinc/48/23/77/1109482377.db2.gz SQFXLZSYDDRVMK-INIZCTEOSA-N 0 3 320.864 3.153 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001282498407 1109527251 /nfs/dbraw/zinc/52/72/51/1109527251.db2.gz XLSRQRKGQXBCSH-CABCVRRESA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cscc1C(F)(F)F ZINC001282505067 1109528077 /nfs/dbraw/zinc/52/80/77/1109528077.db2.gz WDKNTLZJWHCTOJ-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccn(C)c2C)CCCCC1 ZINC001282619174 1109538609 /nfs/dbraw/zinc/53/86/09/1109538609.db2.gz LHHODYWCQKBLJK-UHFFFAOYSA-N 0 3 323.868 3.108 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001282724358 1109556816 /nfs/dbraw/zinc/55/68/16/1109556816.db2.gz GFSGMRPVQGYTNX-XVWMLYKFSA-N 0 3 316.420 3.242 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccsc2)C(C)(C)C1 ZINC001282812805 1109569221 /nfs/dbraw/zinc/56/92/21/1109569221.db2.gz 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1109728462 /nfs/dbraw/zinc/72/84/62/1109728462.db2.gz PDCRFMHKIOXVNK-ILZDJORESA-N 0 3 316.489 3.339 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCCCCC)CCC[C@H]12 ZINC001284069801 1109728792 /nfs/dbraw/zinc/72/87/92/1109728792.db2.gz HJTZTUSONFZGSR-HKUYNNGSSA-N 0 3 304.478 3.483 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(C)cc2)[C@@H]1C ZINC001284130929 1109744246 /nfs/dbraw/zinc/74/42/46/1109744246.db2.gz NVGRKWJFWLFBCM-HKUYNNGSSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCOc2ccccc2)[C@H]1C ZINC001284154928 1109750128 /nfs/dbraw/zinc/75/01/28/1109750128.db2.gz RHGDLXOPPYLLEZ-SJLPKXTDSA-N 0 3 316.445 3.001 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](CCC)C(C)C)C1 ZINC001284794721 1109862229 /nfs/dbraw/zinc/86/22/29/1109862229.db2.gz LMASWFGYWZEITR-YMAMQOFZSA-N 0 3 300.874 3.390 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)Cc1ccoc1 ZINC001316675146 1111081794 /nfs/dbraw/zinc/08/17/94/1111081794.db2.gz KRCDRLKVBXIDJB-CJNGLKHVSA-N 0 3 324.852 3.181 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001301881417 1111102965 /nfs/dbraw/zinc/10/29/65/1111102965.db2.gz MMRPJKLHCOHMJL-DOTOQJQBSA-N 0 3 300.446 3.225 20 30 DGEDHN N#Cc1ccnc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC001307575830 1111315630 /nfs/dbraw/zinc/31/56/30/1111315630.db2.gz BFFWEJZBXUIQKY-OALUTQOASA-N 0 3 307.397 3.041 20 30 DGEDHN C=C(Br)CN1CCCC[C@@H](C2CCOCC2)C1 ZINC001308038891 1111370470 /nfs/dbraw/zinc/37/04/70/1111370470.db2.gz NELVVNREANFLQW-CQSZACIVSA-N 0 3 302.256 3.424 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001308867347 1111486172 /nfs/dbraw/zinc/48/61/72/1111486172.db2.gz BDUCPXNJUSWFMT-QAPCUYQASA-N 0 3 313.441 3.468 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001317510902 1111610178 /nfs/dbraw/zinc/61/01/78/1111610178.db2.gz ZGULKROLNDTONO-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001317530030 1111651385 /nfs/dbraw/zinc/65/13/85/1111651385.db2.gz SCDQNAPWRAJCEZ-MOPGFXCFSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001316947297 1111730377 /nfs/dbraw/zinc/73/03/77/1111730377.db2.gz KBXHRZJGFDXLKD-ZDUSSCGKSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cc(Cl)cs2)[C@H]1C ZINC001316792265 1111767754 /nfs/dbraw/zinc/76/77/54/1111767754.db2.gz MOWVLXRYKKCVPC-RISCZKNCSA-N 0 3 312.866 3.099 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(C)c1F ZINC001316802795 1111770504 /nfs/dbraw/zinc/77/05/04/1111770504.db2.gz QDKSBHAPMAKASH-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN CCC#C[C@H](C)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001620455501 1193769886 /nfs/dbraw/zinc/76/98/86/1193769886.db2.gz SMSDIEKGTVNJNE-RLFYNMQTSA-N 0 3 306.450 3.168 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(F)c1 ZINC000412587894 282147648 /nfs/dbraw/zinc/14/76/48/282147648.db2.gz XBQQJUSXRZEWEH-SFHVURJKSA-N 0 3 315.392 3.300 20 30 DGEDHN C[C@@H]1[C@H](NCc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000309820463 231103986 /nfs/dbraw/zinc/10/39/86/231103986.db2.gz PJFCCOVFHMDGIH-RDTXWAMCSA-N 0 3 311.454 3.372 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(C(F)(F)F)c1 ZINC000431449558 529486600 /nfs/dbraw/zinc/48/66/00/529486600.db2.gz NLJITTDPIRHPRN-PWSUYJOCSA-N 0 3 314.307 3.139 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083406322 185222003 /nfs/dbraw/zinc/22/20/03/185222003.db2.gz FUAOKHMFZZZYFX-BEFAXECRSA-N 0 3 314.429 3.279 20 30 DGEDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1cccc(CC#N)c1 ZINC000415815931 529610834 /nfs/dbraw/zinc/61/08/34/529610834.db2.gz SPODJZAUVTZWPH-SFHVURJKSA-N 0 3 322.412 3.137 20 30 DGEDHN CCc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428801057 529642541 /nfs/dbraw/zinc/64/25/41/529642541.db2.gz HMOHMJKUAGEWGE-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)cc1F ZINC000088715767 185263244 /nfs/dbraw/zinc/26/32/44/185263244.db2.gz NIRKMNMVVUJXHP-QRWLVFNGSA-N 0 3 323.415 3.307 20 30 DGEDHN CC(=O)Nc1cccc([C@@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000090107013 185282481 /nfs/dbraw/zinc/28/24/81/185282481.db2.gz IMJIVKYWZHNOGP-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000345744076 529701932 /nfs/dbraw/zinc/70/19/32/529701932.db2.gz CIMFRTWRLNQMCO-CRAIPNDOSA-N 0 3 313.445 3.194 20 30 DGEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310509535 529976466 /nfs/dbraw/zinc/97/64/66/529976466.db2.gz JWUVJGZXVLFIEQ-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN CN1CCC(CC(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000330176612 530048627 /nfs/dbraw/zinc/04/86/27/530048627.db2.gz KCWFDJDYCJSKHP-UHFFFAOYSA-N 0 3 305.426 3.103 20 30 DGEDHN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N1CCCCC1 ZINC000104241658 432015181 /nfs/dbraw/zinc/01/51/81/432015181.db2.gz UCWMVWLOTNQROK-QAPCUYQASA-N 0 3 313.445 3.246 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000106037751 432019164 /nfs/dbraw/zinc/01/91/64/432019164.db2.gz 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/nfs/dbraw/zinc/02/03/37/432020337.db2.gz UFTDFPMHYSJIHB-CQSZACIVSA-N 0 3 321.490 3.019 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1sccc1OC)C(C)C ZINC000106294180 432020550 /nfs/dbraw/zinc/02/05/50/432020550.db2.gz UTMHAVBMDKABTJ-AWEZNQCLSA-N 0 3 322.474 3.185 20 30 DGEDHN Fc1ccc(CNCCOC(F)(F)F)c(C(F)(F)F)c1 ZINC000353188975 282979649 /nfs/dbraw/zinc/97/96/49/282979649.db2.gz DLLROLMVKGCRGH-UHFFFAOYSA-N 0 3 305.193 3.471 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000175636374 186183272 /nfs/dbraw/zinc/18/32/72/186183272.db2.gz CGWQIEZQXXZLOB-BQFCYCMXSA-N 0 3 315.461 3.303 20 30 DGEDHN COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000181911826 186217623 /nfs/dbraw/zinc/21/76/23/186217623.db2.gz KUPXEFMXFPZNRO-IFXJQAMLSA-N 0 3 310.397 3.341 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(-n2cccn2)c1 ZINC000131159442 432032844 /nfs/dbraw/zinc/03/28/44/432032844.db2.gz ZJXZDSLRVQTAIF-UHFFFAOYSA-N 0 3 302.381 3.376 20 30 DGEDHN N#Cc1ccc(CNC[C@H](c2cccs2)N2CCCC2)o1 ZINC000174238323 198309465 /nfs/dbraw/zinc/30/94/65/198309465.db2.gz BXMBXWCCJWHGEL-OAHLLOKOSA-N 0 3 301.415 3.139 20 30 DGEDHN N#CC1(CCCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCOCC1 ZINC000368092916 283043781 /nfs/dbraw/zinc/04/37/81/283043781.db2.gz OACRIGZLFZHLHG-IAGOWNOFSA-N 0 3 318.461 3.120 20 30 DGEDHN N#CC1(CCN2CCC[C@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000411271366 283045582 /nfs/dbraw/zinc/04/55/82/283045582.db2.gz GYEVHBQYDJQYIJ-STQMWFEESA-N 0 3 304.356 3.238 20 30 DGEDHN N#CC1(CCN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CCCCC1 ZINC000411718049 283045675 /nfs/dbraw/zinc/04/56/75/283045675.db2.gz JZKHIPUSDBTZMF-KGLIPLIRSA-N 0 3 318.383 3.343 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000248849192 283056059 /nfs/dbraw/zinc/05/60/59/283056059.db2.gz ONLNTUDDLMSFOP-NXHRZFHOSA-N 0 3 311.429 3.022 20 30 DGEDHN CO[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000276974558 213212909 /nfs/dbraw/zinc/21/29/09/213212909.db2.gz XJXBLHDVEHXNDS-LSDHHAIUSA-N 0 3 323.234 3.368 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166151647 432058479 /nfs/dbraw/zinc/05/84/79/432058479.db2.gz PHZSDDCSWFSOFZ-OLZOCXBDSA-N 0 3 302.846 3.364 20 30 DGEDHN N#Cc1sc(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)nc1Cl ZINC000286063495 283260200 /nfs/dbraw/zinc/26/02/00/283260200.db2.gz BTGVYCLIAXGIQJ-JQWIXIFHSA-N 0 3 322.865 3.121 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H](CNCc1cc(C#N)cs1)C1CC1 ZINC000133712286 432070271 /nfs/dbraw/zinc/07/02/71/432070271.db2.gz ZFFSVJXVXSXYNH-CQSZACIVSA-N 0 3 321.446 3.013 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000179895332 432073950 /nfs/dbraw/zinc/07/39/50/432073950.db2.gz SATUNCFQVSLBTI-LJQANCHMSA-N 0 3 312.457 3.442 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000179747903 199075160 /nfs/dbraw/zinc/07/51/60/199075160.db2.gz NDWWQDJPKRTNOF-MRXNPFEDSA-N 0 3 306.475 3.441 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCC(C)(C)C#N ZINC000496453734 291140596 /nfs/dbraw/zinc/14/05/96/291140596.db2.gz GTPMVIJFXZMQRP-UONOGXRCSA-N 0 3 309.454 3.304 20 30 DGEDHN Cn1cc(CNCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180028896 432076870 /nfs/dbraw/zinc/07/68/70/432076870.db2.gz JGMLATJTQPMONY-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN N#Cc1ccc(NCC2CCN(c3ccncc3)CC2)c(F)c1 ZINC000180045989 432077714 /nfs/dbraw/zinc/07/77/14/432077714.db2.gz IQWIPKIOHHFEOE-UHFFFAOYSA-N 0 3 310.376 3.421 20 30 DGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)o1 ZINC000429873259 238062456 /nfs/dbraw/zinc/06/24/56/238062456.db2.gz YAQQREMHDDCRDK-UHFFFAOYSA-N 0 3 309.369 3.389 20 30 DGEDHN N#Cc1cccc(CNCC2(CO)CC(c3ccccc3)C2)c1 ZINC000433172324 238149333 /nfs/dbraw/zinc/14/93/33/238149333.db2.gz DVCGHRDGWIXOCK-UHFFFAOYSA-N 0 3 306.409 3.204 20 30 DGEDHN COc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271966549 209347119 /nfs/dbraw/zinc/34/71/19/209347119.db2.gz VNZLACYALZRZIX-KPZWWZAWSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C2(C)OCCO2)CC1 ZINC000268491567 432094603 /nfs/dbraw/zinc/09/46/03/432094603.db2.gz RONWBHJTCFBDLY-CQSZACIVSA-N 0 3 300.402 3.094 20 30 DGEDHN C[C@@H](NC(=O)C1(C#N)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000186917575 296039067 /nfs/dbraw/zinc/03/90/67/296039067.db2.gz VHKRAABYVRNCDN-NVXWUHKLSA-N 0 3 313.445 3.268 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442705183 239113316 /nfs/dbraw/zinc/11/33/16/239113316.db2.gz ONTQEODYCGWNJB-VIFPVBQESA-N 0 3 314.282 3.152 20 30 DGEDHN C[C@@H]1C[C@H](O)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444664326 239318931 /nfs/dbraw/zinc/31/89/31/239318931.db2.gz MCVYORWBUUKEJJ-XLIONFOSSA-N 0 3 320.436 3.341 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1cc(Br)cs1 ZINC000268547817 432102724 /nfs/dbraw/zinc/10/27/24/432102724.db2.gz MKLYNLFNUXJEKE-LLVKDONJSA-N 0 3 304.253 3.270 20 30 DGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000271823486 209246348 /nfs/dbraw/zinc/24/63/48/209246348.db2.gz SJWXLEDLHRJDIB-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000135156453 432103353 /nfs/dbraw/zinc/10/33/53/432103353.db2.gz ZGAOAPMIHMNYPX-ZWKOTPCHSA-N 0 3 314.429 3.346 20 30 DGEDHN COCCCN(CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189918864 432104200 /nfs/dbraw/zinc/10/42/00/432104200.db2.gz MCFVDFUACREAQD-UHFFFAOYSA-N 0 3 324.424 3.056 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000449352683 240152313 /nfs/dbraw/zinc/15/23/13/240152313.db2.gz XSVLSWMCOGIATB-OLZOCXBDSA-N 0 3 300.793 3.308 20 30 DGEDHN C=CC(C)(C)CNCc1c(Cl)cccc1N1CCOCC1 ZINC000449484106 240235290 /nfs/dbraw/zinc/23/52/90/240235290.db2.gz FDVBFQHXIDXHSS-UHFFFAOYSA-N 0 3 308.853 3.478 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(Br)c1F ZINC000449516440 240262156 /nfs/dbraw/zinc/26/21/56/240262156.db2.gz AXCQKALCFJGKHD-NEPJUHHUSA-N 0 3 300.171 3.021 20 30 DGEDHN CC[C@H](C)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000449622110 240324619 /nfs/dbraw/zinc/32/46/19/240324619.db2.gz CFSZUNWNQNJCHC-KRWDZBQOSA-N 0 3 315.461 3.285 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)[C@H](OC)C2CC2)cc1OC ZINC000449627078 240330303 /nfs/dbraw/zinc/33/03/03/240330303.db2.gz FWYABXYKSLIZDJ-UGSOOPFHSA-N 0 3 305.418 3.163 20 30 DGEDHN CCN(CCC#N)C(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451193053 241042356 /nfs/dbraw/zinc/04/23/56/241042356.db2.gz XBGHVNBSPRNVDC-RYRKJORJSA-N 0 3 313.445 3.015 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451617166 241191414 /nfs/dbraw/zinc/19/14/14/241191414.db2.gz AFTIMUSOZSYYOP-MSOLQXFVSA-N 0 3 314.404 3.478 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000451697511 241210815 /nfs/dbraw/zinc/21/08/15/241210815.db2.gz IGNVEYQYLWBLPM-IIAWOOMASA-N 0 3 304.821 3.195 20 30 DGEDHN OCCC[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000452114943 241321808 /nfs/dbraw/zinc/32/18/08/241321808.db2.gz BAPRLYZHFPAOEI-OAHLLOKOSA-N 0 3 311.347 3.151 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)cc1F ZINC000246235868 432110847 /nfs/dbraw/zinc/11/08/47/432110847.db2.gz NIRKMNMVVUJXHP-MGPUTAFESA-N 0 3 323.415 3.307 20 30 DGEDHN C=C(CC)CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000455525233 242226547 /nfs/dbraw/zinc/22/65/47/242226547.db2.gz RBQZXAPVEDZYFY-UHFFFAOYSA-N 0 3 303.450 3.246 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000456002529 242325135 /nfs/dbraw/zinc/32/51/35/242325135.db2.gz MVHWHEUJCBSCIZ-OAHLLOKOSA-N 0 3 314.433 3.109 20 30 DGEDHN Cc1cccc(CN(C)C(=O)C(C#N)CCc2ccccc2)n1 ZINC000456989964 242613262 /nfs/dbraw/zinc/61/32/62/242613262.db2.gz VOLWHRXGTZROTL-KRWDZBQOSA-N 0 3 307.397 3.121 20 30 DGEDHN C[C@H](c1ccccn1)N(C)CCC(=O)Nc1sccc1C#N ZINC000091704006 284003700 /nfs/dbraw/zinc/00/37/00/284003700.db2.gz FSHZKAJKBVGAJG-GFCCVEGCSA-N 0 3 314.414 3.036 20 30 DGEDHN Cc1cc(NC(=O)c2cccc(C#N)c2C)ccc1CN(C)C ZINC000458265078 243011571 /nfs/dbraw/zinc/01/15/71/243011571.db2.gz MYIZRHAMICWWNP-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1CN(C)C ZINC000458256201 243008633 /nfs/dbraw/zinc/00/86/33/243008633.db2.gz CBJIJPIMERQVGV-LJQANCHMSA-N 0 3 311.429 3.469 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2(CC)CCCCC2)CC1 ZINC000458330227 243033747 /nfs/dbraw/zinc/03/37/47/243033747.db2.gz ZUXPOYKKGZQACP-UHFFFAOYSA-N 0 3 307.482 3.439 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCC)C2CCCC2)CC1 ZINC000458336709 243036988 /nfs/dbraw/zinc/03/69/88/243036988.db2.gz PXOHTPOVMBYRET-KRWDZBQOSA-N 0 3 307.482 3.295 20 30 DGEDHN C[C@H](CCC1CCCCC1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115601331 284114952 /nfs/dbraw/zinc/11/49/52/284114952.db2.gz MTOKXHVGOIKTJV-RDTXWAMCSA-N 0 3 313.445 3.423 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469423818 244103761 /nfs/dbraw/zinc/10/37/61/244103761.db2.gz FPVABRUYBZUTAH-AEFFLSMTSA-N 0 3 317.477 3.407 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000472153407 244284746 /nfs/dbraw/zinc/28/47/46/244284746.db2.gz HVTGNUGLOLOBAQ-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCC[C@H](O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000472568702 244308856 /nfs/dbraw/zinc/30/88/56/244308856.db2.gz XCHYNJHCKFQWSL-YJBOKZPZSA-N 0 3 322.880 3.346 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000119358707 284141409 /nfs/dbraw/zinc/14/14/09/284141409.db2.gz ADHZVAPJVFWEJV-UHFFFAOYSA-N 0 3 315.323 3.150 20 30 DGEDHN CC(C)C1CCC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000120953762 284183531 /nfs/dbraw/zinc/18/35/31/284183531.db2.gz PKDDZXGIWCLOIJ-LEOMRAHMSA-N 0 3 313.445 3.137 20 30 DGEDHN CCC(CC)(CNCC#Cc1cccc(Cl)c1)C(=O)OC ZINC000487841837 245112394 /nfs/dbraw/zinc/11/23/94/245112394.db2.gz NBZOJMQLJBVRBJ-UHFFFAOYSA-N 0 3 307.821 3.261 20 30 DGEDHN C=C(CN[C@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccccc1 ZINC000488256763 245169182 /nfs/dbraw/zinc/16/91/82/245169182.db2.gz QBMCZNVBDQFQOB-QGZVFWFLSA-N 0 3 314.816 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@H]2C(C)C)CC1 ZINC000488838716 245240139 /nfs/dbraw/zinc/24/01/39/245240139.db2.gz DRECRSATORZHIE-QGZVFWFLSA-N 0 3 319.493 3.247 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COCc1ccccc1Cl ZINC000489432785 245307431 /nfs/dbraw/zinc/30/74/31/245307431.db2.gz RDUBDKWNXBLPMJ-CVEARBPZSA-N 0 3 309.837 3.258 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000489476263 245312447 /nfs/dbraw/zinc/31/24/47/245312447.db2.gz NDJOSISFPLHMHS-WSTZPKSXSA-N 0 3 315.457 3.482 20 30 DGEDHN CN(CCc1ccc(Cl)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268709271 432123498 /nfs/dbraw/zinc/12/34/98/432123498.db2.gz SWRWOIDTRLLSET-GOSISDBHSA-N 0 3 314.816 3.420 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H](O)c2ccccc2C)cc1 ZINC000264982257 204320894 /nfs/dbraw/zinc/32/08/94/204320894.db2.gz URPXIQSLHKLOOB-HXUWFJFHSA-N 0 3 309.409 3.220 20 30 DGEDHN N#Cc1cccc(C2(NC[C@@H](O)c3c(F)cccc3F)CC2)c1 ZINC000271741983 209173224 /nfs/dbraw/zinc/17/32/24/209173224.db2.gz COIZKLWEGVCDNS-MRXNPFEDSA-N 0 3 314.335 3.149 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000490253910 245391705 /nfs/dbraw/zinc/39/17/05/245391705.db2.gz SHYHIJLNSRCMDP-NJAFHUGGSA-N 0 3 300.446 3.335 20 30 DGEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000181394154 432126599 /nfs/dbraw/zinc/12/65/99/432126599.db2.gz ULZJOPFRJLVEAO-INIZCTEOSA-N 0 3 320.440 3.268 20 30 DGEDHN C#C[C@H](NC1CCN(CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000491464222 245512520 /nfs/dbraw/zinc/51/25/20/245512520.db2.gz QQRZNDWNPDLWIY-HNNXBMFYSA-N 0 3 312.791 3.333 20 30 DGEDHN C=CCOc1ccc(CNCCC(=O)OC(C)(C)C)cc1OC ZINC000266155277 205143671 /nfs/dbraw/zinc/14/36/71/205143671.db2.gz LQJCGNVKTPQIMH-UHFFFAOYSA-N 0 3 321.417 3.081 20 30 DGEDHN C[C@H](NCc1cc(C#N)cs1)[C@H]1OCCc2sccc21 ZINC000492225758 245658713 /nfs/dbraw/zinc/65/87/13/245658713.db2.gz NEMDHSXSGQUXKU-ZUZCIYMTSA-N 0 3 304.440 3.473 20 30 DGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncccc1C#N ZINC000266489117 205384661 /nfs/dbraw/zinc/38/46/61/205384661.db2.gz RTVNQYBPFSAYRK-GOSISDBHSA-N 0 3 320.440 3.302 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000494111598 246113246 /nfs/dbraw/zinc/11/32/46/246113246.db2.gz LCOVTALYMPAWSA-JKSUJKDBSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000494283729 246131853 /nfs/dbraw/zinc/13/18/53/246131853.db2.gz YGHJJZCFQXYHBZ-SUMWQHHRSA-N 0 3 320.458 3.060 20 30 DGEDHN CN(C[C@H]1CCN(CCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000494709774 246183916 /nfs/dbraw/zinc/18/39/16/246183916.db2.gz HQHIIIYXDMVBCP-CQSZACIVSA-N 0 3 309.454 3.115 20 30 DGEDHN C=CCN(C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000494706032 246184561 /nfs/dbraw/zinc/18/45/61/246184561.db2.gz ZSKAUPJGDQYZMG-UHFFFAOYSA-N 0 3 322.408 3.364 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)CCC#N)CC1 ZINC000495938716 246330070 /nfs/dbraw/zinc/33/00/70/246330070.db2.gz BKMPKHBWQWHSHO-UONOGXRCSA-N 0 3 309.454 3.304 20 30 DGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(N2CCOC2=O)c1 ZINC000496205544 246365830 /nfs/dbraw/zinc/36/58/30/246365830.db2.gz IMDICPZMWBUMEB-CYBMUJFWSA-N 0 3 301.390 3.234 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286280834 335031147 /nfs/dbraw/zinc/03/11/47/335031147.db2.gz OXFRDIBEVNQSRY-NRFANRHFSA-N 0 3 324.468 3.305 20 30 DGEDHN COc1ccc([C@H](CCO)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000181911805 432149324 /nfs/dbraw/zinc/14/93/24/432149324.db2.gz KUPXEFMXFPZNRO-KUHUBIRLSA-N 0 3 310.397 3.341 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(Cn3ccnc3)cc2)c1 ZINC000042228132 183244719 /nfs/dbraw/zinc/24/47/19/183244719.db2.gz ZTWZEGPBGLVTNJ-UHFFFAOYSA-N 0 3 302.381 3.093 20 30 DGEDHN CCCCOCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963487 194058138 /nfs/dbraw/zinc/05/81/38/194058138.db2.gz PTGKDBYEVACLLA-UHFFFAOYSA-N 0 3 302.418 3.218 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 ZINC000106488404 194218864 /nfs/dbraw/zinc/21/88/64/194218864.db2.gz OTEIBPCFIBAETO-INIZCTEOSA-N 0 3 313.351 3.205 20 30 DGEDHN N#Cc1ccc(OC2CCN(C[C@H]3CCCCO3)CC2)c(F)c1 ZINC000285556566 218509478 /nfs/dbraw/zinc/50/94/78/218509478.db2.gz SABVXELOLQAGQL-MRXNPFEDSA-N 0 3 318.392 3.110 20 30 DGEDHN CN(CCOc1ccc(C#N)cc1)CCN(C)c1ccccc1 ZINC000520783846 269688682 /nfs/dbraw/zinc/68/86/82/269688682.db2.gz VMZBKJDBTUTTRK-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H](O)c2cccc(C)c2)cc1 ZINC000268949855 207113648 /nfs/dbraw/zinc/11/36/48/207113648.db2.gz CYDNNPXVRDJSBZ-HXUWFJFHSA-N 0 3 309.409 3.220 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc(C#N)c2C)c1 ZINC000338184780 253238810 /nfs/dbraw/zinc/23/88/10/253238810.db2.gz USGKVMAOMNABDN-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN N#Cc1ccc(CN(CCCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000338236871 253247411 /nfs/dbraw/zinc/24/74/11/253247411.db2.gz YPYOURWTWVJNHK-IBGZPJMESA-N 0 3 314.429 3.456 20 30 DGEDHN CC(C#N)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000427790238 533108336 /nfs/dbraw/zinc/10/83/36/533108336.db2.gz SAAQWURRNOCIHB-QMMMGPOBSA-N 0 3 315.598 3.221 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000356649786 533108773 /nfs/dbraw/zinc/10/87/73/533108773.db2.gz WKCMIFVAFQSSHK-NSHDSACASA-N 0 3 321.218 3.347 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@H](O)c2cccc(F)c2)cc1 ZINC000157627197 197203012 /nfs/dbraw/zinc/20/30/12/197203012.db2.gz MBALQGYLNWHBGH-LIRRHRJNSA-N 0 3 313.372 3.222 20 30 DGEDHN Cc1nc2ccccc2n1CCNCc1ccc(C#N)cc1F ZINC000343035389 254089133 /nfs/dbraw/zinc/08/91/33/254089133.db2.gz RNTAFGBXUKJCGP-UHFFFAOYSA-N 0 3 308.360 3.145 20 30 DGEDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1cccs1 ZINC000157534279 197195379 /nfs/dbraw/zinc/19/53/79/197195379.db2.gz QTILIFWKDIFZIC-AWEZNQCLSA-N 0 3 316.386 3.243 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OCC(C)C ZINC000345845966 533127094 /nfs/dbraw/zinc/12/70/94/533127094.db2.gz NNTICNNOVALFNG-STQMWFEESA-N 0 3 304.390 3.067 20 30 DGEDHN CC(C)(C)[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344203294 254238886 /nfs/dbraw/zinc/23/88/86/254238886.db2.gz FCILQIFXXOVMIT-DOTOQJQBSA-N 0 3 311.429 3.032 20 30 DGEDHN N#Cc1ccc([C@H](O)CN(CCc2cccc(F)c2)C2CC2)cc1 ZINC000156396581 197110232 /nfs/dbraw/zinc/11/02/32/197110232.db2.gz ONJKTYFCRDBCPC-HXUWFJFHSA-N 0 3 324.399 3.438 20 30 DGEDHN CCC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000271646594 209093260 /nfs/dbraw/zinc/09/32/60/209093260.db2.gz IIENSQLOUNXHJQ-IBGZPJMESA-N 0 3 321.424 3.305 20 30 DGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000120803742 195240539 /nfs/dbraw/zinc/24/05/39/195240539.db2.gz FUQHOLZEJUNTJW-DGCLKSJQSA-N 0 3 305.447 3.363 20 30 DGEDHN OC[C@@]1(Cc2ccccc2)CCCN1CC#Cc1ccccc1 ZINC000483996883 285283684 /nfs/dbraw/zinc/28/36/84/285283684.db2.gz XBTBYDWUIMACCO-NRFANRHFSA-N 0 3 305.421 3.108 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)c(C)c1OC ZINC000347529697 533352929 /nfs/dbraw/zinc/35/29/29/533352929.db2.gz XCBYWSCSUJJHFH-GFCCVEGCSA-N 0 3 316.382 3.267 20 30 DGEDHN C[C@@H](CC(=O)Nc1ccccc1)NCc1ccc(OCC#N)cc1 ZINC000177305159 533450493 /nfs/dbraw/zinc/45/04/93/533450493.db2.gz LSBBRZQRMUOEFA-HNNXBMFYSA-N 0 3 323.396 3.096 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc2ccccc2nc1OC ZINC000584698787 400089739 /nfs/dbraw/zinc/08/97/39/400089739.db2.gz BRLXOOYINCNPTM-MAUKXSAKSA-N 0 3 312.413 3.314 20 30 DGEDHN CC[C@H](C)c1ccc([C@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000066473513 400093778 /nfs/dbraw/zinc/09/37/78/400093778.db2.gz LSPGMOIXBNVMRG-KBXCAEBGSA-N 0 3 301.434 3.127 20 30 DGEDHN C=CCCSCCN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000595059878 400094216 /nfs/dbraw/zinc/09/42/16/400094216.db2.gz QTUNJQDOQPMNNK-ZDUSSCGKSA-N 0 3 304.463 3.306 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(C#N)c(F)c1 ZINC000595060075 400095305 /nfs/dbraw/zinc/09/53/05/400095305.db2.gz LGYDBRBKTLWVNM-KZFRLUCNSA-N 0 3 308.422 3.038 20 30 DGEDHN C#CCN1CCC(C(=O)NC2(c3cccc(C)c3)CCCC2)CC1 ZINC000066511376 400095748 /nfs/dbraw/zinc/09/57/48/400095748.db2.gz ZGMRAWYQLLQHGY-UHFFFAOYSA-N 0 3 324.468 3.226 20 30 DGEDHN CC(=O)Nc1cccc2c1CCN(CCc1ccc(C#N)cc1)C2 ZINC000595293200 400118392 /nfs/dbraw/zinc/11/83/92/400118392.db2.gz HGBNBJDFVYZHQZ-UHFFFAOYSA-N 0 3 319.408 3.117 20 30 DGEDHN C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nccn1C ZINC000595107618 400108217 /nfs/dbraw/zinc/10/82/17/400108217.db2.gz OSUZLOPQCKPGBZ-DMKPSLHHSA-N 0 3 308.429 3.475 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000595255778 400113971 /nfs/dbraw/zinc/11/39/71/400113971.db2.gz FABLHMUHFCXNNN-CYBMUJFWSA-N 0 3 314.216 3.021 20 30 DGEDHN CN(CCCOc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000066376282 400083395 /nfs/dbraw/zinc/08/33/95/400083395.db2.gz OABFYOPFQWOXTA-UHFFFAOYSA-N 0 3 324.380 3.188 20 30 DGEDHN COC1(C(F)(F)F)CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595552876 400184567 /nfs/dbraw/zinc/18/45/67/400184567.db2.gz SBOQUNWRSXUFGW-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN CC1CCC(N2CCN(CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595323116 400126743 /nfs/dbraw/zinc/12/67/43/400126743.db2.gz QYARMGMJOTUSAQ-UHFFFAOYSA-N 0 3 311.473 3.297 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595336366 400130829 /nfs/dbraw/zinc/13/08/29/400130829.db2.gz PDIPUCJGEXYXBR-VQTJNVASSA-N 0 3 305.425 3.458 20 30 DGEDHN CC(C)[C@@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000011100232 400139510 /nfs/dbraw/zinc/13/95/10/400139510.db2.gz MYYMDFRJTAYDJD-WDYCEAGBSA-N 0 3 315.461 3.416 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000609123662 400141374 /nfs/dbraw/zinc/14/13/74/400141374.db2.gz LYPNNYRYSQGBJI-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN CC1(C#N)CCN(CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000595431102 400148257 /nfs/dbraw/zinc/14/82/57/400148257.db2.gz YABXQLDBFFDKMW-OAHLLOKOSA-N 0 3 315.442 3.115 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092072135 400151740 /nfs/dbraw/zinc/15/17/40/400151740.db2.gz IVZRDHGCFVJHLN-KRWDZBQOSA-N 0 3 324.428 3.472 20 30 DGEDHN CC[C@@]1(NCc2ccc(OC)c(OCCCC#N)c2)CCOC1 ZINC000616487696 400157999 /nfs/dbraw/zinc/15/79/99/400157999.db2.gz FGFYLGDJNQOKBM-GOSISDBHSA-N 0 3 318.417 3.036 20 30 DGEDHN CO[C@@]1(C(F)(F)F)CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595469052 400160427 /nfs/dbraw/zinc/16/04/27/400160427.db2.gz MTYCTFRLZWSCHV-HNNXBMFYSA-N 0 3 312.335 3.144 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000319745586 400161320 /nfs/dbraw/zinc/16/13/20/400161320.db2.gz YHOORXYCSHCGJU-NWDGAFQWSA-N 0 3 306.369 3.140 20 30 DGEDHN COc1ccccc1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000026223490 400255324 /nfs/dbraw/zinc/25/53/24/400255324.db2.gz XOLYGQBGHJPOQC-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN N#Cc1ccc(N2CCN(CCC3CCCC3)CC2)c(F)c1 ZINC000610212885 400223583 /nfs/dbraw/zinc/22/35/83/400223583.db2.gz SGUQGUWULWAHPD-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)CCCCCC#N)CCN1Cc1ccccc1 ZINC000588771207 400228674 /nfs/dbraw/zinc/22/86/74/400228674.db2.gz DZPURMRKSUQLFP-WMZOPIPTSA-N 0 3 313.445 3.240 20 30 DGEDHN N#Cc1ccc(-c2cc(N3CCN(C4CCCC4)CC3)n[nH]2)cc1 ZINC000595726118 400243771 /nfs/dbraw/zinc/24/37/71/400243771.db2.gz MPBJJONRMMMTSK-UHFFFAOYSA-N 0 3 321.428 3.013 20 30 DGEDHN C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(C#N)c1 ZINC000610344807 400244528 /nfs/dbraw/zinc/24/45/28/400244528.db2.gz IQRLFUKADDIUOO-ZDUSSCGKSA-N 0 3 321.359 3.129 20 30 DGEDHN C[C@H](NCc1ccc(C(=O)NC2CC2)cc1)c1cccc(C#N)c1 ZINC000610344839 400244953 /nfs/dbraw/zinc/24/49/53/400244953.db2.gz IXSFVXRBUWIEGB-AWEZNQCLSA-N 0 3 319.408 3.301 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000595734301 400246405 /nfs/dbraw/zinc/24/64/05/400246405.db2.gz RCTATSNKDHGCPQ-KURKYZTESA-N 0 3 312.413 3.112 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(CC)(CO)CC2)cc1 ZINC000093592127 400250186 /nfs/dbraw/zinc/25/01/86/400250186.db2.gz HOSUWSPENZCNEB-UHFFFAOYSA-N 0 3 301.430 3.073 20 30 DGEDHN Cc1ccc(CN2CC[C@H](NCc3cc(C#N)cs3)C2)cc1 ZINC000601160115 400252155 /nfs/dbraw/zinc/25/21/55/400252155.db2.gz SLKGBJWIRAFARM-KRWDZBQOSA-N 0 3 311.454 3.292 20 30 DGEDHN C=CCN(CC(=O)NC(=O)Nc1ccc(C)cc1C)C(C)(C)C ZINC000595765767 400252536 /nfs/dbraw/zinc/25/25/36/400252536.db2.gz NWWVMYPAPBZUFP-UHFFFAOYSA-N 0 3 317.433 3.238 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCCC#N ZINC000588164070 400195597 /nfs/dbraw/zinc/19/55/97/400195597.db2.gz ILVYOPYBLQSABJ-AEFFLSMTSA-N 0 3 313.445 3.097 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)[C@H](CO)Cc1ccccc1 ZINC000595593573 400197727 /nfs/dbraw/zinc/19/77/27/400197727.db2.gz WSBABVXNJLKCHP-SFHVURJKSA-N 0 3 300.446 3.386 20 30 DGEDHN C[C@@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000588204564 400201334 /nfs/dbraw/zinc/20/13/34/400201334.db2.gz UUJMIHSGJJQEQZ-ACJLOTCBSA-N 0 3 314.816 3.466 20 30 DGEDHN CC(C)c1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000609920111 400201263 /nfs/dbraw/zinc/20/12/63/400201263.db2.gz IACSKPZXWLKWIU-CQSZACIVSA-N 0 3 300.402 3.339 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccnc1 ZINC000092747999 400201602 /nfs/dbraw/zinc/20/16/02/400201602.db2.gz BJNPOBJLXPDXRD-WMLDXEAASA-N 0 3 324.403 3.412 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000609921801 400202321 /nfs/dbraw/zinc/20/23/21/400202321.db2.gz GCVKASGAFVRBRE-KUHUBIRLSA-N 0 3 320.392 3.377 20 30 DGEDHN CN(CCCCC#N)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000610001676 400205722 /nfs/dbraw/zinc/20/57/22/400205722.db2.gz HSEAHWYHRKMCGE-KRWDZBQOSA-N 0 3 300.381 3.274 20 30 DGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000595612516 400206060 /nfs/dbraw/zinc/20/60/60/400206060.db2.gz XSPHNHBYXSVPTH-CYBMUJFWSA-N 0 3 305.809 3.294 20 30 DGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000595612613 400206168 /nfs/dbraw/zinc/20/61/68/400206168.db2.gz YMLORPNREGDKQJ-GFCCVEGCSA-N 0 3 323.799 3.433 20 30 DGEDHN N#CC[C@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000595619468 400209842 /nfs/dbraw/zinc/20/98/42/400209842.db2.gz BPKOLEQTZSLJRU-APWZRJJASA-N 0 3 314.429 3.370 20 30 DGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H](c2ccccc2)C2CC2)cc1 ZINC000023678698 400211741 /nfs/dbraw/zinc/21/17/41/400211741.db2.gz MFKGORAKMCCEKM-AZUAARDMSA-N 0 3 322.408 3.039 20 30 DGEDHN CC(C)(NCCOCCOc1ccccc1)c1cccc(C#N)c1 ZINC000595635333 400214039 /nfs/dbraw/zinc/21/40/39/400214039.db2.gz IUMQGHDCXJDSSY-UHFFFAOYSA-N 0 3 324.424 3.479 20 30 DGEDHN COc1cccc(OCCNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595640696 400215188 /nfs/dbraw/zinc/21/51/88/400215188.db2.gz VVEJAYJUKXBEJV-UHFFFAOYSA-N 0 3 310.397 3.471 20 30 DGEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)C1CCC(F)CC1 ZINC000595820791 400269489 /nfs/dbraw/zinc/26/94/89/400269489.db2.gz WMOQASORUYUGFO-LRVUVFPRSA-N 0 3 303.381 3.003 20 30 DGEDHN CCCCC[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000595872200 400283217 /nfs/dbraw/zinc/28/32/17/400283217.db2.gz RKIDVBVMJBELMD-FUHWJXTLSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000595880712 400284999 /nfs/dbraw/zinc/28/49/99/400284999.db2.gz NWJWRHQETUAFFN-DOTOQJQBSA-N 0 3 317.477 3.230 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1OCCc3ccccc31)CC2 ZINC000589342374 400291146 /nfs/dbraw/zinc/29/11/46/400291146.db2.gz MVPVHFAJZYBOSW-PMACEKPBSA-N 0 3 304.393 3.449 20 30 DGEDHN CN1Cc2ccccc2[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000589343775 400291500 /nfs/dbraw/zinc/29/15/00/400291500.db2.gz VSXBVMFCYFVBCR-WOJBJXKFSA-N 0 3 303.409 3.322 20 30 DGEDHN CC1(C)CN(C(=O)[C@H](N)CCCCC#N)[C@@H]1c1cccs1 ZINC000595947767 400297254 /nfs/dbraw/zinc/29/72/54/400297254.db2.gz NWAQTSAQQBFBHS-TZMCWYRMSA-N 0 3 305.447 3.069 20 30 DGEDHN CSc1ccc([C@H](CNC[C@H](C#N)CCC#N)N(C)C)cc1 ZINC000578064532 400324803 /nfs/dbraw/zinc/32/48/03/400324803.db2.gz JEVHJCOSRBYCMX-YOEHRIQHSA-N 0 3 316.474 3.044 20 30 DGEDHN CC(C)(C)OC(=O)[C@H](CNCc1ccc(C#N)cc1)C1CCC1 ZINC000596064656 400307463 /nfs/dbraw/zinc/30/74/63/400307463.db2.gz ZQKZIWCNLBWDQZ-QGZVFWFLSA-N 0 3 314.429 3.406 20 30 DGEDHN Cc1cc(NCCN2CCCC[C@@H]2C)cc(C#N)c1[N+](=O)[O-] ZINC000596074528 400309968 /nfs/dbraw/zinc/30/99/68/400309968.db2.gz BLLNCCDIXLSODT-ZDUSSCGKSA-N 0 3 302.378 3.061 20 30 DGEDHN Cc1cc(N[C@@H](C)CN2CCCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596075519 400310113 /nfs/dbraw/zinc/31/01/13/400310113.db2.gz FNCFGEXWVOUVIT-ZDUSSCGKSA-N 0 3 302.378 3.061 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C#N)cc1C ZINC000601619311 400318023 /nfs/dbraw/zinc/31/80/23/400318023.db2.gz AJZKRKVOVJPVNG-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN C=CCOc1ccc(CNCCC(=O)Nc2ccccc2)cc1 ZINC000113346715 400380278 /nfs/dbraw/zinc/38/02/78/400380278.db2.gz MYBMUEQGKWHCFF-UHFFFAOYSA-N 0 3 310.397 3.370 20 30 DGEDHN C[C@H](NCCC(=O)Nc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000611386018 400388993 /nfs/dbraw/zinc/38/89/93/400388993.db2.gz ANACBTKOLPTFNC-ZDUSSCGKSA-N 0 3 311.360 3.377 20 30 DGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000611388245 400390320 /nfs/dbraw/zinc/39/03/20/400390320.db2.gz ZGAGPRMYEYMUQV-AWEZNQCLSA-N 0 3 318.380 3.109 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000030532751 400327980 /nfs/dbraw/zinc/32/79/80/400327980.db2.gz FGRBSMDZEOTPML-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1OC ZINC000579007879 400335072 /nfs/dbraw/zinc/33/50/72/400335072.db2.gz CVJQTDRTQQNYEI-SJORKVTESA-N 0 3 317.429 3.261 20 30 DGEDHN CN(C)[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611390159 400391129 /nfs/dbraw/zinc/39/11/29/400391129.db2.gz GQULHUVUWMADLM-ZWKOTPCHSA-N 0 3 309.413 3.421 20 30 DGEDHN C[C@H](COCC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392338 400391249 /nfs/dbraw/zinc/39/12/49/400391249.db2.gz MPCSOEPTVDEAMZ-IAQYHMDHSA-N 0 3 312.335 3.493 20 30 DGEDHN N#Cc1ccc(CNCc2ccccc2Cn2ccnc2)cc1 ZINC000069675986 400338611 /nfs/dbraw/zinc/33/86/11/400338611.db2.gz DNZPEZSSUHIDGH-UHFFFAOYSA-N 0 3 302.381 3.093 20 30 DGEDHN CCOC1CC(N(C)Cc2cccc(OCCCC#N)c2)C1 ZINC000579776801 400341639 /nfs/dbraw/zinc/34/16/39/400341639.db2.gz DACWBZFWQRLUFB-UHFFFAOYSA-N 0 3 302.418 3.368 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC(C2CC2)CC1 ZINC000590008617 400347858 /nfs/dbraw/zinc/34/78/58/400347858.db2.gz LFMRQORIWVAQPA-UHFFFAOYSA-N 0 3 300.402 3.068 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(OCc3ccccc3F)CC2)C1 ZINC000590168653 400366560 /nfs/dbraw/zinc/36/65/60/400366560.db2.gz KWROTEBIQDGAPZ-GDBMZVCRSA-N 0 3 302.393 3.499 20 30 DGEDHN CC(C)(C#N)CCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000611462508 400404647 /nfs/dbraw/zinc/40/46/47/400404647.db2.gz LABAGOTUTGIZPX-UHFFFAOYSA-N 0 3 305.466 3.087 20 30 DGEDHN N#CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000602251743 400430374 /nfs/dbraw/zinc/43/03/74/400430374.db2.gz MGGIHBIBLJFDRA-SFHVURJKSA-N 0 3 319.408 3.065 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@](C)(O)CCC)ccc1OC ZINC000602278473 400432888 /nfs/dbraw/zinc/43/28/88/400432888.db2.gz WNCUKNNTCWTOBB-SFHVURJKSA-N 0 3 307.434 3.291 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2OC)C12CCCC2 ZINC000590739072 400426928 /nfs/dbraw/zinc/42/69/28/400426928.db2.gz NRCLHWFRXVOJLL-ZWKOTPCHSA-N 0 3 314.429 3.394 20 30 DGEDHN N#Cc1ccsc1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602231498 400427631 /nfs/dbraw/zinc/42/76/31/400427631.db2.gz WLHBNGJLCIPRHN-OAHLLOKOSA-N 0 3 311.410 3.080 20 30 DGEDHN C[C@@H]1[C@H](O)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000590762334 400429764 /nfs/dbraw/zinc/42/97/64/400429764.db2.gz TUAIVDRFADTNDJ-YLJYHZDGSA-N 0 3 320.436 3.341 20 30 DGEDHN COc1ccccc1C[C@@H](NCc1cccc(C#N)n1)C(C)C ZINC000602573180 400500027 /nfs/dbraw/zinc/50/00/27/400500027.db2.gz PVELDYDZMKQLTQ-GOSISDBHSA-N 0 3 309.413 3.319 20 30 DGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NCc1cccc(C#N)n1)CC3 ZINC000602587368 400506301 /nfs/dbraw/zinc/50/63/01/400506301.db2.gz FMHBQMFYBDDBMT-CQSZACIVSA-N 0 3 316.408 3.390 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1-n1cccn1 ZINC000602591499 400507434 /nfs/dbraw/zinc/50/74/34/400507434.db2.gz GDXUROGWGNWTKE-MRXNPFEDSA-N 0 3 324.428 3.061 20 30 DGEDHN C[C@@H](NC(=O)Nc1cccc2c1CCNC2)c1cccc(C#N)c1 ZINC000591310408 400507846 /nfs/dbraw/zinc/50/78/46/400507846.db2.gz NFQSITADZHNTOH-CYBMUJFWSA-N 0 3 320.396 3.087 20 30 DGEDHN C[C@@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000591318578 400509907 /nfs/dbraw/zinc/50/99/07/400509907.db2.gz NEMZECNBKYJLMQ-BEFAXECRSA-N 0 3 321.424 3.428 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCC[C@H](C)C1 ZINC000123016176 400465379 /nfs/dbraw/zinc/46/53/79/400465379.db2.gz FNVFBDUMJDQZME-STQMWFEESA-N 0 3 319.836 3.062 20 30 DGEDHN COc1ccc(C[C@@H]2CCCN(Cc3cccc(C#N)n3)C2)cc1 ZINC000602469731 400469418 /nfs/dbraw/zinc/46/94/18/400469418.db2.gz WIRQAPGZPLCXEG-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN C[C@@H](CCC#N)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000602462573 400470012 /nfs/dbraw/zinc/47/00/12/400470012.db2.gz HTAPBTFVQBGICF-WMZOPIPTSA-N 0 3 313.445 3.211 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)[C@H]1SC ZINC000590964549 400471193 /nfs/dbraw/zinc/47/11/93/400471193.db2.gz IWQBNMXCVMIAQD-RRFJBIMHSA-N 0 3 310.850 3.210 20 30 DGEDHN COc1cccc([C@@H](CNc2ccc(C#N)cn2)N2CCCC2)c1 ZINC000073868753 400474190 /nfs/dbraw/zinc/47/41/90/400474190.db2.gz BKFSFQYVGVVWAO-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN N#Cc1cccc(CN(CCCO)[C@H]2CCCc3ccccc32)n1 ZINC000602480810 400474200 /nfs/dbraw/zinc/47/42/00/400474200.db2.gz CCHWXIPCHMUPIP-FQEVSTJZSA-N 0 3 321.424 3.215 20 30 DGEDHN Cc1cccc(OCCN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602503028 400481579 /nfs/dbraw/zinc/48/15/79/400481579.db2.gz KCDIFINRGVPJMM-INIZCTEOSA-N 0 3 302.418 3.062 20 30 DGEDHN COc1cc(CNCCSCc2ccccc2C#N)sn1 ZINC000602500810 400481677 /nfs/dbraw/zinc/48/16/77/400481677.db2.gz BIGFKPXTMJBECT-UHFFFAOYSA-N 0 3 319.455 3.046 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1OC(F)F ZINC000602508705 400482491 /nfs/dbraw/zinc/48/24/91/400482491.db2.gz WDQIRQMUFQHXBT-CYBMUJFWSA-N 0 3 324.371 3.477 20 30 DGEDHN N#Cc1cccc(CNCCSCc2ccccc2F)n1 ZINC000602506057 400482900 /nfs/dbraw/zinc/48/29/00/400482900.db2.gz CKASAXDRDQOYCZ-UHFFFAOYSA-N 0 3 301.390 3.115 20 30 DGEDHN C[C@@H](CCC#N)CNCc1cccnc1OCC(F)(F)F ZINC000602510529 400483974 /nfs/dbraw/zinc/48/39/74/400483974.db2.gz YIZOWPSBIXLRTK-NSHDSACASA-N 0 3 301.312 3.052 20 30 DGEDHN Cc1ccccc1C1(CNCc2cccc(C#N)n2)CCOCC1 ZINC000602521149 400486974 /nfs/dbraw/zinc/48/69/74/400486974.db2.gz NBRNYZVVVOKFSL-UHFFFAOYSA-N 0 3 321.424 3.100 20 30 DGEDHN N#CCCCCNCc1nc2cc(Br)ccc2o1 ZINC000602538877 400491784 /nfs/dbraw/zinc/49/17/84/400491784.db2.gz DEMOXOFSHBRWAH-UHFFFAOYSA-N 0 3 308.179 3.374 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(F)c(F)c1 ZINC000602539116 400491937 /nfs/dbraw/zinc/49/19/37/400491937.db2.gz CWDWCFJJQOXPRF-CYBMUJFWSA-N 0 3 324.371 3.032 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H](CCCO)c1ccccc1 ZINC000602551314 400495139 /nfs/dbraw/zinc/49/51/39/400495139.db2.gz IAXPTMMCTLGYOI-WMZOPIPTSA-N 0 3 316.445 3.189 20 30 DGEDHN N#CCC1(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC1 ZINC000602787869 400574354 /nfs/dbraw/zinc/57/43/54/400574354.db2.gz LQLRIUUWXHZBNU-UHFFFAOYSA-N 0 3 321.428 3.345 20 30 DGEDHN CCN(C(=O)[C@H](C)CC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000596886767 400517988 /nfs/dbraw/zinc/51/79/88/400517988.db2.gz PULOLFGRAPSZRP-NUJGCVRESA-N 0 3 313.445 3.220 20 30 DGEDHN Cn1cc(-c2ccc(CN3CCC[C@@H](CC#N)C3)s2)cn1 ZINC000597176212 400577866 /nfs/dbraw/zinc/57/78/66/400577866.db2.gz GLDHSVJIQUUZAP-ZDUSSCGKSA-N 0 3 300.431 3.274 20 30 DGEDHN C[C@H](CCC#N)CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000602643330 400522330 /nfs/dbraw/zinc/52/23/30/400522330.db2.gz DYCCZRWPQILQMG-DGCLKSJQSA-N 0 3 316.323 3.148 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C#N)c(Cl)c1 ZINC000602658594 400527177 /nfs/dbraw/zinc/52/71/77/400527177.db2.gz LUWVPOQTWRUKQR-CYBMUJFWSA-N 0 3 317.820 3.400 20 30 DGEDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596976099 400532767 /nfs/dbraw/zinc/53/27/67/400532767.db2.gz XSMMGFCBDVRSCZ-MRXNPFEDSA-N 0 3 312.413 3.017 20 30 DGEDHN N#CC1(c2ccc(CN(CCO)Cc3ccccc3)cc2)CC1 ZINC000596978457 400532892 /nfs/dbraw/zinc/53/28/92/400532892.db2.gz ZADUQOHUHCELAN-UHFFFAOYSA-N 0 3 306.409 3.236 20 30 DGEDHN CCOc1ccc(C[C@@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602689922 400539429 /nfs/dbraw/zinc/53/94/29/400539429.db2.gz ZGQBBAXRUXTYHM-OAHLLOKOSA-N 0 3 309.413 3.320 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000131101978 400546301 /nfs/dbraw/zinc/54/63/01/400546301.db2.gz GOLSOYWGZYMGDU-OAHLLOKOSA-N 0 3 315.465 3.124 20 30 DGEDHN N#CCC[C@H](C#N)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000591736995 400553540 /nfs/dbraw/zinc/55/35/40/400553540.db2.gz QBEOCURQPRJOFY-MJGOQNOKSA-N 0 3 310.445 3.247 20 30 DGEDHN N#CCC[C@H](C#N)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000591736994 400553714 /nfs/dbraw/zinc/55/37/14/400553714.db2.gz QBEOCURQPRJOFY-IEBWSBKVSA-N 0 3 310.445 3.247 20 30 DGEDHN Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@@](O)(CC#N)C1 ZINC000592148716 400615008 /nfs/dbraw/zinc/61/50/08/400615008.db2.gz ZYPHUUHVZZEHTB-IBGZPJMESA-N 0 3 300.446 3.451 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000602990882 400622885 /nfs/dbraw/zinc/62/28/85/400622885.db2.gz ITQOSAZRMUVLLA-RVKKMQEKSA-N 0 3 301.434 3.089 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603070729 400634139 /nfs/dbraw/zinc/63/41/39/400634139.db2.gz SKJSNMZMKXGKJS-UHFFFAOYSA-N 0 3 318.396 3.037 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3cc2OC)CC1 ZINC000592069519 400602314 /nfs/dbraw/zinc/60/23/14/400602314.db2.gz VYBGHGVGHHTZKK-UHFFFAOYSA-N 0 3 324.424 3.229 20 30 DGEDHN N#CCCOCCN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602919039 400605603 /nfs/dbraw/zinc/60/56/03/400605603.db2.gz WADGQGRZKUVZDN-FQEVSTJZSA-N 0 3 324.424 3.152 20 30 DGEDHN CCCN(C)[C@@H](CNC(=O)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000597639929 400655410 /nfs/dbraw/zinc/65/54/10/400655410.db2.gz SPZGPFBCZSUNJH-CJNGLKHVSA-N 0 3 321.852 3.389 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)n1cc(CNC2CCCCC2)nn1 ZINC000603234324 400659013 /nfs/dbraw/zinc/65/90/13/400659013.db2.gz NMGBVABUUVUMQD-AWEZNQCLSA-N 0 3 309.417 3.181 20 30 DGEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513093 400660773 /nfs/dbraw/zinc/66/07/73/400660773.db2.gz VVMVDQFETIHXEA-KBXCAEBGSA-N 0 3 317.396 3.184 20 30 DGEDHN CN(CCCNC(=O)c1cccc(CC#N)c1)Cc1ccccc1 ZINC000049603612 400669727 /nfs/dbraw/zinc/66/97/27/400669727.db2.gz XFAIOYPVYQEADO-UHFFFAOYSA-N 0 3 321.424 3.005 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)OCCO2 ZINC000618742920 400680309 /nfs/dbraw/zinc/68/03/09/400680309.db2.gz SYHHOQHKPCYNHK-KRWDZBQOSA-N 0 3 306.365 3.107 20 30 DGEDHN C[C@@H](N[C@@H](C)C1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157629922 400718718 /nfs/dbraw/zinc/71/87/18/400718718.db2.gz NAOOUUUNRCBTNE-WDEREUQCSA-N 0 3 305.809 3.317 20 30 DGEDHN COc1ccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000052465179 400733398 /nfs/dbraw/zinc/73/33/98/400733398.db2.gz RKRQAHLPXYKXKN-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN C=CCC1(NC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000598178053 400755047 /nfs/dbraw/zinc/75/50/47/400755047.db2.gz OCHBKOUSCCESSS-QGZVFWFLSA-N 0 3 312.413 3.000 20 30 DGEDHN CC(C)(C)OCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000598181689 400755176 /nfs/dbraw/zinc/75/51/76/400755176.db2.gz CRNRQQYNYTWAKT-MRXNPFEDSA-N 0 3 302.418 3.080 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2ccn3C)nc(C)n1 ZINC000077940919 400755658 /nfs/dbraw/zinc/75/56/58/400755658.db2.gz QJCCYSIAQATLQA-OAHLLOKOSA-N 0 3 304.353 3.075 20 30 DGEDHN N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1ccccn1 ZINC000077865816 400751740 /nfs/dbraw/zinc/75/17/40/400751740.db2.gz WLIRHTRTFFITHZ-OAHLLOKOSA-N 0 3 316.320 3.154 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)nnc2ccccc21)c1ccccc1 ZINC000077210602 400696221 /nfs/dbraw/zinc/69/62/21/400696221.db2.gz NSHMLUTZHUURJS-GOSISDBHSA-N 0 3 317.396 3.216 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000165719308 400752796 /nfs/dbraw/zinc/75/27/96/400752796.db2.gz QECZHBKOMDUEGJ-MJGOQNOKSA-N 0 3 315.461 3.418 20 30 DGEDHN CCO[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000155430316 400703309 /nfs/dbraw/zinc/70/33/09/400703309.db2.gz RYPIVJHAXWQIJW-SFHVURJKSA-N 0 3 302.418 3.370 20 30 DGEDHN C=CCCSCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000597966726 400705434 /nfs/dbraw/zinc/70/54/34/400705434.db2.gz BEOXFOBBDLLFMA-MRXNPFEDSA-N 0 3 306.475 3.105 20 30 DGEDHN CCc1ccc([C@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000603629013 400705784 /nfs/dbraw/zinc/70/57/84/400705784.db2.gz XCENYRPSZCLUHO-HNNXBMFYSA-N 0 3 321.424 3.088 20 30 DGEDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC[C@H]1C ZINC000052101393 400717755 /nfs/dbraw/zinc/71/77/55/400717755.db2.gz UBAKKWQGPYDLBB-OLZOCXBDSA-N 0 3 302.378 3.141 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2ccc(C)cc2)CC1 ZINC000171717922 400805115 /nfs/dbraw/zinc/80/51/15/400805115.db2.gz OJZDOTVXTPHZOY-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN CCn1cc(CN(CCCC2(C#N)CCOCC2)C(C)C)cn1 ZINC000593082298 400757244 /nfs/dbraw/zinc/75/72/44/400757244.db2.gz VHOYURRKYIKVFU-UHFFFAOYSA-N 0 3 318.465 3.214 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(OCc3ccccn3)c2)C1 ZINC000613660883 400770779 /nfs/dbraw/zinc/77/07/79/400770779.db2.gz BKUDBXVHKPKWCY-DOTOQJQBSA-N 0 3 307.397 3.442 20 30 DGEDHN CC(C#N)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000598299060 400775468 /nfs/dbraw/zinc/77/54/68/400775468.db2.gz CTVGUTSUQQREAD-SSDOTTSWSA-N 0 3 304.234 3.316 20 30 DGEDHN CCSC1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000598327529 400784764 /nfs/dbraw/zinc/78/47/64/400784764.db2.gz GXFJCHFALAFLFC-OAHLLOKOSA-N 0 3 302.443 3.161 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H]3C3CCC3)C2=O)cc1 ZINC000619157559 400785202 /nfs/dbraw/zinc/78/52/02/400785202.db2.gz FHTMBEXRNLBSJP-RTBURBONSA-N 0 3 323.440 3.318 20 30 DGEDHN CO[C@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000598393410 400801189 /nfs/dbraw/zinc/80/11/89/400801189.db2.gz HUYVUBIHSNGRSO-ZWKOTPCHSA-N 0 3 314.429 3.080 20 30 DGEDHN CC[C@H](C)N[C@@H](CNC(=O)c1cscc1C#N)c1ccco1 ZINC000598736053 400869811 /nfs/dbraw/zinc/86/98/11/400869811.db2.gz XIIWMUPSGLFYKU-FZMZJTMJSA-N 0 3 317.414 3.072 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000181111179 400888082 /nfs/dbraw/zinc/88/80/82/400888082.db2.gz LQMKVCLXBOMSAY-DLBZAZTESA-N 0 3 307.482 3.391 20 30 DGEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc2ccccc2c1 ZINC000593613912 400881289 /nfs/dbraw/zinc/88/12/89/400881289.db2.gz NGVMYNVNHHARPK-GUYCJALGSA-N 0 3 324.380 3.110 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc4c3CCC4)C2)nc1 ZINC000593629354 400883506 /nfs/dbraw/zinc/88/35/06/400883506.db2.gz MJAKYFOOILELJT-GOSISDBHSA-N 0 3 319.408 3.095 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000605764764 400884559 /nfs/dbraw/zinc/88/45/59/400884559.db2.gz ZZQQUPSWXJWYOA-WBVHZDCISA-N 0 3 318.436 3.428 20 30 DGEDHN C[C@@]1(NC(=O)CCCCCC#N)CCN(Cc2ccccc2)C1 ZINC000593336212 400823580 /nfs/dbraw/zinc/82/35/80/400823580.db2.gz FAHFGPMULYYCQW-LJQANCHMSA-N 0 3 313.445 3.241 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000598584684 400835818 /nfs/dbraw/zinc/83/58/18/400835818.db2.gz RVZOAFHOWZQDFH-KRWDZBQOSA-N 0 3 302.393 3.216 20 30 DGEDHN Cc1nc(C2CCN(C[C@H](O)CC(C)(C)C#N)CC2)sc1C ZINC000598589105 400837526 /nfs/dbraw/zinc/83/75/26/400837526.db2.gz DBOOVEXOXBRJMX-OAHLLOKOSA-N 0 3 321.490 3.240 20 30 DGEDHN Cc1ccc([C@H]2CSCCN2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598592950 400838666 /nfs/dbraw/zinc/83/86/66/400838666.db2.gz OLFYZAYCXUNFGQ-IAGOWNOFSA-N 0 3 318.486 3.386 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCSC[C@@H]1c1ccccc1 ZINC000598592823 400839194 /nfs/dbraw/zinc/83/91/94/400839194.db2.gz NRNQPCWFDMVLHX-HZPDHXFCSA-N 0 3 304.459 3.077 20 30 DGEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000598666067 400854144 /nfs/dbraw/zinc/85/41/44/400854144.db2.gz FRBSVYXUNXCAKQ-MRXNPFEDSA-N 0 3 321.852 3.346 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCSc2c(F)cccc21 ZINC000598699219 400859673 /nfs/dbraw/zinc/85/96/73/400859673.db2.gz CXKIWXAXYNIFOQ-RISCZKNCSA-N 0 3 308.422 3.253 20 30 DGEDHN CCCCOc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598714926 400863465 /nfs/dbraw/zinc/86/34/65/400863465.db2.gz KQWDRKZPKJJCNA-INIZCTEOSA-N 0 3 304.434 3.256 20 30 DGEDHN CCCCOc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598714927 400863775 /nfs/dbraw/zinc/86/37/75/400863775.db2.gz KQWDRKZPKJJCNA-MRXNPFEDSA-N 0 3 304.434 3.256 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(F)c(Cl)cc1F ZINC000598723315 400865759 /nfs/dbraw/zinc/86/57/59/400865759.db2.gz GHSVEIIBRLCVNQ-JTQLQIEISA-N 0 3 302.752 3.009 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000181794497 400890157 /nfs/dbraw/zinc/89/01/57/400890157.db2.gz GEZUPIFBDFXCKC-SJLPKXTDSA-N 0 3 315.461 3.372 20 30 DGEDHN Cc1occc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593691896 400892264 /nfs/dbraw/zinc/89/22/64/400892264.db2.gz TXGUSCCAWOCAPC-UHFFFAOYSA-N 0 3 309.413 3.214 20 30 DGEDHN CC(C)(C)OCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000619722979 400894216 /nfs/dbraw/zinc/89/42/16/400894216.db2.gz YRLDUUJNBWLAAY-UHFFFAOYSA-N 0 3 301.434 3.144 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182882475 400899036 /nfs/dbraw/zinc/89/90/36/400899036.db2.gz XRGSRFMENJMSAY-SUMWQHHRSA-N 0 3 317.408 3.298 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1Cc2ccccc2NC1=O ZINC000599074031 400952096 /nfs/dbraw/zinc/95/20/96/400952096.db2.gz JHBPBQKFXBHMIF-MOPGFXCFSA-N 0 3 317.392 3.089 20 30 DGEDHN C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccoc1 ZINC000593721157 400899444 /nfs/dbraw/zinc/89/94/44/400899444.db2.gz KGSRWGXADZTZRH-HNNXBMFYSA-N 0 3 309.413 3.466 20 30 DGEDHN C[C@H](C#N)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000183841171 400902470 /nfs/dbraw/zinc/90/24/70/400902470.db2.gz SPGBZCFFZJKRQA-GFCCVEGCSA-N 0 3 309.816 3.193 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185656500 400905753 /nfs/dbraw/zinc/90/57/53/400905753.db2.gz CNGLHGPJXRAXKN-MFKMUULPSA-N 0 3 319.371 3.040 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCN(CCC)C1 ZINC000619903203 400917229 /nfs/dbraw/zinc/91/72/29/400917229.db2.gz XWVFISKUJCKISR-AWEZNQCLSA-N 0 3 304.459 3.179 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598978388 400918470 /nfs/dbraw/zinc/91/84/70/400918470.db2.gz NORNLXYKAWLSBG-GFCCVEGCSA-N 0 3 311.447 3.120 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000195446878 400924544 /nfs/dbraw/zinc/92/45/44/400924544.db2.gz TUACMLAFKHKSKX-UHFFFAOYSA-N 0 3 314.429 3.454 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599011140 400926724 /nfs/dbraw/zinc/92/67/24/400926724.db2.gz ZKLRXDZJEQFZIK-HIFRSBDPSA-N 0 3 310.319 3.234 20 30 DGEDHN CO[C@H]1C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000599017287 400927194 /nfs/dbraw/zinc/92/71/94/400927194.db2.gz XBEFBRKWCXMVPC-KESTWPANSA-N 0 3 322.408 3.404 20 30 DGEDHN COc1cccc([C@@H](CNc2cccc(F)c2C#N)N(C)C)c1 ZINC000198223620 400929150 /nfs/dbraw/zinc/92/91/50/400929150.db2.gz LCOFDJNOYLCQON-GOSISDBHSA-N 0 3 313.376 3.421 20 30 DGEDHN C[C@H]1C[C@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000080231086 400933421 /nfs/dbraw/zinc/93/34/21/400933421.db2.gz NYZMIICNRJOPDH-MAUKXSAKSA-N 0 3 306.413 3.418 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000606923185 400984335 /nfs/dbraw/zinc/98/43/35/400984335.db2.gz IOADYNZJLGESIE-DLBZAZTESA-N 0 3 309.498 3.495 20 30 DGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1Cl ZINC000599311010 401018946 /nfs/dbraw/zinc/01/89/46/401018946.db2.gz APXHLWVBKXUNHH-ZIAGYGMSSA-N 0 3 322.836 3.062 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000594116310 400992028 /nfs/dbraw/zinc/99/20/28/400992028.db2.gz NACITAZOAAPZQY-UHFFFAOYSA-N 0 3 314.433 3.091 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000606973243 400992505 /nfs/dbraw/zinc/99/25/05/400992505.db2.gz VHITZUJCIWYHDY-IAGOWNOFSA-N 0 3 309.498 3.495 20 30 DGEDHN CCN(Cc1ccccc1C)C[C@@H](O)COc1ccccc1C#N ZINC000599260293 401003158 /nfs/dbraw/zinc/00/31/58/401003158.db2.gz YGXRBRFRLBZHBG-LJQANCHMSA-N 0 3 324.424 3.129 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCc1ccc(F)c(C#N)c1)C(C)C ZINC000594038491 400958757 /nfs/dbraw/zinc/95/87/57/400958757.db2.gz AKUXDMMSLZVEER-MRXNPFEDSA-N 0 3 306.381 3.153 20 30 DGEDHN C=CCC1(CNC(=O)NCc2ccc3c(c2)CNC3)CCCC1 ZINC000633672409 401053633 /nfs/dbraw/zinc/05/36/33/401053633.db2.gz VGNRRPMUKYREEG-UHFFFAOYSA-N 0 3 313.445 3.226 20 30 DGEDHN C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512628 401062313 /nfs/dbraw/zinc/06/23/13/401062313.db2.gz LKHBFCRYHNFWCU-STQMWFEESA-N 0 3 321.371 3.110 20 30 DGEDHN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594430119 401066314 /nfs/dbraw/zinc/06/63/14/401066314.db2.gz WBUJGXLPVUDTGF-LBPRGKRZSA-N 0 3 313.323 3.364 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000594439155 401069508 /nfs/dbraw/zinc/06/95/08/401069508.db2.gz SVQQLGQAGABNFU-INIZCTEOSA-N 0 3 324.384 3.224 20 30 DGEDHN C[C@H](N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(C)CC1 ZINC000248708062 401075686 /nfs/dbraw/zinc/07/56/86/401075686.db2.gz BENUIJJCVCRTLQ-YOEHRIQHSA-N 0 3 311.429 3.174 20 30 DGEDHN CCOc1ccccc1[C@@H](CC)NC[C@@H](O)CC1(C#N)CC1 ZINC000599350046 401029761 /nfs/dbraw/zinc/02/97/61/401029761.db2.gz NDMDCDXJWBBYCW-GOEBONIOSA-N 0 3 302.418 3.181 20 30 DGEDHN COc1ccccc1[C@H](CC(C)C)NC[C@H](O)CC1(C#N)CC1 ZINC000599354189 401031213 /nfs/dbraw/zinc/03/12/13/401031213.db2.gz NMDOGYNLQCUPLP-WBVHZDCISA-N 0 3 316.445 3.427 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NC[C@H](O)COc2ccccc2C#N)c1 ZINC000599358449 401033565 /nfs/dbraw/zinc/03/35/65/401033565.db2.gz DEHJQGJKDOUDOV-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c(C)s1 ZINC000061110537 401146204 /nfs/dbraw/zinc/14/62/04/401146204.db2.gz GIKWMBUNDLZZIG-CYBMUJFWSA-N 0 3 314.414 3.173 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594603376 401127370 /nfs/dbraw/zinc/12/73/70/401127370.db2.gz URJNOBQSYRZJIB-OLZOCXBDSA-N 0 3 324.350 3.401 20 30 DGEDHN CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000060943190 401142049 /nfs/dbraw/zinc/14/20/49/401142049.db2.gz OXTWNUGTKVCXHV-LJQANCHMSA-N 0 3 324.424 3.014 20 30 DGEDHN CCC(C#N)(CC)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000599612833 401091231 /nfs/dbraw/zinc/09/12/31/401091231.db2.gz MJEJCQPKRVSBKZ-KRWDZBQOSA-N 0 3 313.445 3.049 20 30 DGEDHN Cc1cccc([C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599627424 401095450 /nfs/dbraw/zinc/09/54/50/401095450.db2.gz MKHSFZVBCWXTKQ-MOPGFXCFSA-N 0 3 315.461 3.336 20 30 DGEDHN Cc1cccc([C@@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C(C)C)c1 ZINC000599628664 401095598 /nfs/dbraw/zinc/09/55/98/401095598.db2.gz CVCYIUYUESCQMY-RDJZCZTQSA-N 0 3 313.445 3.233 20 30 DGEDHN CN(C)C[C@@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000599627862 401095678 /nfs/dbraw/zinc/09/56/78/401095678.db2.gz OXVATDBMSBCOPU-CQSZACIVSA-N 0 3 300.233 3.489 20 30 DGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(C#N)cc1F ZINC000594519355 401097167 /nfs/dbraw/zinc/09/71/67/401097167.db2.gz JZPJYWWYAVNPJP-KKXDTOCCSA-N 0 3 301.409 3.365 20 30 DGEDHN C=CCCSCCNCc1ccc(Cl)cc1-n1cncn1 ZINC000594960441 401208407 /nfs/dbraw/zinc/20/84/07/401208407.db2.gz QKJJKGGOJPBYJV-UHFFFAOYSA-N 0 3 322.865 3.320 20 30 DGEDHN CCC[C@H](CNC(=O)C(C#N)CCc1ccccc1)OCC ZINC000600174782 401208514 /nfs/dbraw/zinc/20/85/14/401208514.db2.gz OAEZRJWKUBTAEE-IAGOWNOFSA-N 0 3 302.418 3.080 20 30 DGEDHN COC(=O)[C@@H]1CN(CC(C)(C)CCC#N)Cc2ccccc21 ZINC000600216281 401225990 /nfs/dbraw/zinc/22/59/90/401225990.db2.gz XQWDTPSDCPFSIS-MRXNPFEDSA-N 0 3 300.402 3.089 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2n[nH]cc21 ZINC000600108539 401180541 /nfs/dbraw/zinc/18/05/41/401180541.db2.gz ZJJQTXHTWVLFEX-UHFFFAOYSA-N 0 3 320.396 3.083 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCN2Cc2ccccc2)cc1F ZINC000594999744 401224286 /nfs/dbraw/zinc/22/42/86/401224286.db2.gz VOBPYOLUPDXLOI-SFHVURJKSA-N 0 3 309.388 3.061 20 30 DGEDHN C=C(C)COCCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000090450920 401266344 /nfs/dbraw/zinc/26/63/44/401266344.db2.gz KUEPIENDRDLDJV-ZDUSSCGKSA-N 0 3 302.418 3.160 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2ccc(O)cc2C1 ZINC000600226865 401227972 /nfs/dbraw/zinc/22/79/72/401227972.db2.gz DVTGPSIAXBTYCO-OAHLLOKOSA-N 0 3 306.365 3.007 20 30 DGEDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000064114254 401229344 /nfs/dbraw/zinc/22/93/44/401229344.db2.gz NIYOJBUHBNQPOO-SFHVURJKSA-N 0 3 324.384 3.490 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncnc3sc(C)cc32)CC1 ZINC000090091727 401255435 /nfs/dbraw/zinc/25/54/35/401255435.db2.gz TYMCBGRQGQIEIJ-UHFFFAOYSA-N 0 3 302.447 3.452 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100851 401299619 /nfs/dbraw/zinc/29/96/19/401299619.db2.gz AMIFIZHPZVYRHR-HUUCEWRRSA-N 0 3 318.244 3.334 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cccnc3c2)CC1 ZINC000630943598 401357745 /nfs/dbraw/zinc/35/77/45/401357745.db2.gz RWCZOALWHIOZRS-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCC1(NCc2ccncc2Br)CCOCC1 ZINC000631173976 401415411 /nfs/dbraw/zinc/41/54/11/401415411.db2.gz UDIACUZSJPPWMJ-UHFFFAOYSA-N 0 3 311.223 3.059 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC[C@@H](O)CCC)cc1OC ZINC000623416255 401511922 /nfs/dbraw/zinc/51/19/22/401511922.db2.gz ONCPMFCSOBQTLQ-ZDUSSCGKSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CN2CCCN(C)CC2)cc1OC ZINC000628117106 401526832 /nfs/dbraw/zinc/52/68/32/401526832.db2.gz RXXZHBSFGPCRAT-UHFFFAOYSA-N 0 3 324.852 3.051 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@]2(C)OC)cc1OC ZINC000623574432 401548687 /nfs/dbraw/zinc/54/86/87/401548687.db2.gz NVMGTUOLMNTNFL-ZBFHGGJFSA-N 0 3 311.809 3.180 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(CN(C)C)cc1OC)OCC ZINC000633375222 401678354 /nfs/dbraw/zinc/67/83/54/401678354.db2.gz IADVALKXSNFGOO-INIZCTEOSA-N 0 3 320.433 3.067 20 30 DGEDHN C[C@H](O)[C@](C)(CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000191712121 165267069 /nfs/dbraw/zinc/26/70/69/165267069.db2.gz MQEUTXJOERRTGF-KSSFIOAISA-N 0 3 314.454 3.339 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000171607314 432150587 /nfs/dbraw/zinc/15/05/87/432150587.db2.gz ROHCBNCNHWYPHP-UHFFFAOYSA-N 0 3 307.482 3.247 20 30 DGEDHN COc1cccc(O[C@H](C)CNCc2ccc(C#N)cc2F)c1 ZINC000269422066 432171138 /nfs/dbraw/zinc/17/11/38/432171138.db2.gz LZLLQJHOFLMKNX-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(SC)ccc2Cl)CC1 ZINC000171724962 432165684 /nfs/dbraw/zinc/16/56/84/432165684.db2.gz GILSEWHHAVBPSR-UHFFFAOYSA-N 0 3 324.877 3.442 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(OCCCC)cc2)CC1 ZINC000171725921 432165853 /nfs/dbraw/zinc/16/58/53/432165853.db2.gz LXICDAJTLUNCKO-UHFFFAOYSA-N 0 3 316.445 3.246 20 30 DGEDHN N#Cc1ccc(CNCCc2nc3c(s2)CCCC3)c(F)c1 ZINC000269437825 432173242 /nfs/dbraw/zinc/17/32/42/432173242.db2.gz RTSIBCWJYAFFFE-UHFFFAOYSA-N 0 3 315.417 3.365 20 30 DGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OC(F)F)cc1 ZINC000190719157 432185834 /nfs/dbraw/zinc/18/58/34/432185834.db2.gz BRZCDATYJUZJCL-NSHDSACASA-N 0 3 305.328 3.349 20 30 DGEDHN C[C@H]1C[C@@H](N(C)c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000150876554 432198484 /nfs/dbraw/zinc/19/84/84/432198484.db2.gz VTLQZEHHUPHIGF-LPHOPBHVSA-N 0 3 320.440 3.443 20 30 DGEDHN C[C@@H]1C[C@@H](N(C)c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000150875192 432198024 /nfs/dbraw/zinc/19/80/24/432198024.db2.gz OJNGSSLNZOBXGI-APWZRJJASA-N 0 3 320.440 3.443 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](OCCC)CC1 ZINC000247095706 432201660 /nfs/dbraw/zinc/20/16/60/432201660.db2.gz JKFIZTILRPEBCQ-IAGOWNOFSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2ccc(SCC)cc2)CC1 ZINC000269728312 432202151 /nfs/dbraw/zinc/20/21/51/432202151.db2.gz FNCYPPLYMQHUQW-UHFFFAOYSA-N 0 3 318.486 3.108 20 30 DGEDHN CC(C)N(C)c1ccc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000190965810 432207441 /nfs/dbraw/zinc/20/74/41/432207441.db2.gz UZCDPRLMLQDYAM-UHFFFAOYSA-N 0 3 324.428 3.118 20 30 DGEDHN Cn1cc(CNCCOc2ccccc2C(F)(F)F)cc1C#N ZINC000190979195 432208980 /nfs/dbraw/zinc/20/89/80/432208980.db2.gz HLUUOHHHIOKEQN-UHFFFAOYSA-N 0 3 323.318 3.084 20 30 DGEDHN C[C@H](O)C[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000269797975 432209489 /nfs/dbraw/zinc/20/94/89/432209489.db2.gz LMFSRQSFBRFVBS-XJKSGUPXSA-N 0 3 311.347 3.292 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCCN(c2nccs2)CC1 ZINC000172396973 432210686 /nfs/dbraw/zinc/21/06/86/432210686.db2.gz UUEHHAPPMVXYHG-CQSZACIVSA-N 0 3 312.442 3.288 20 30 DGEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000182740675 432224521 /nfs/dbraw/zinc/22/45/21/432224521.db2.gz SYNLVMPKOJZGEA-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN Cc1ccc(C#N)c(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000132823936 196287396 /nfs/dbraw/zinc/28/73/96/196287396.db2.gz SXOLACFHYDTBFQ-SFHVURJKSA-N 0 3 306.413 3.338 20 30 DGEDHN C[C@@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccsc1 ZINC000127309704 227004698 /nfs/dbraw/zinc/00/46/98/227004698.db2.gz YODCUHHUEDNWHZ-LXPRWKDFSA-N 0 3 312.438 3.169 20 30 DGEDHN Cc1occc1C(=O)NC1CCN(CCCC(C)(C)C#N)CC1 ZINC000174843756 228294153 /nfs/dbraw/zinc/29/41/53/228294153.db2.gz WKTLWNRUNZICSM-UHFFFAOYSA-N 0 3 317.433 3.112 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172068858 228273765 /nfs/dbraw/zinc/27/37/65/228273765.db2.gz IMYWKJFBQPPSKR-WOJBJXKFSA-N 0 3 322.408 3.117 20 30 DGEDHN Cc1cccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)c1C ZINC000183735855 228374742 /nfs/dbraw/zinc/37/47/42/228374742.db2.gz YUJZMGHYDBCZLE-INIZCTEOSA-N 0 3 313.445 3.297 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000185837366 228398655 /nfs/dbraw/zinc/39/86/55/228398655.db2.gz PBNRQDWBALJZAG-PWSUYJOCSA-N 0 3 313.232 3.472 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C)[C@H](C)C1 ZINC000267614959 228667044 /nfs/dbraw/zinc/66/70/44/228667044.db2.gz CCLZACHWKQYWGV-RBSFLKMASA-N 0 3 317.408 3.049 20 30 DGEDHN Cc1cc([C@H](C)NC(=O)N[C@H](C)C2=CCN(C)CC2)c(C)o1 ZINC000330771643 229003545 /nfs/dbraw/zinc/00/35/45/229003545.db2.gz OTOBNUFYRBRPBV-OLZOCXBDSA-N 0 3 305.422 3.111 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000341204758 229094905 /nfs/dbraw/zinc/09/49/05/229094905.db2.gz FPFMVUQXCFCXHX-DAYGRLMNSA-N 0 3 301.434 3.089 20 30 DGEDHN N#CCCn1cc(CN[C@@H]2C[C@@H]2C(F)F)c(-c2ccccc2)n1 ZINC000342191124 229109878 /nfs/dbraw/zinc/10/98/78/229109878.db2.gz KJURTWVSEYHWBQ-LSDHHAIUSA-N 0 3 316.355 3.207 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000343535233 229126287 /nfs/dbraw/zinc/12/62/87/229126287.db2.gz OSYQFFGIKNOZLJ-YPMHNXCESA-N 0 3 313.323 3.195 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](OCc3ccccc3F)C2)C1 ZINC000339141307 229075428 /nfs/dbraw/zinc/07/54/28/229075428.db2.gz OTOMLFIPBUPSSN-HYVNUMGLSA-N 0 3 302.393 3.499 20 30 DGEDHN N#CCCn1cc(CN[C@H]2CCC[C@H]2F)c(-c2ccccc2)n1 ZINC000339591637 229081645 /nfs/dbraw/zinc/08/16/45/229081645.db2.gz WTKXJWXUMQXWNF-SJORKVTESA-N 0 3 312.392 3.444 20 30 DGEDHN C[C@H]1c2cccn2CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346160805 229165957 /nfs/dbraw/zinc/16/59/57/229165957.db2.gz ZJGIRDLEMNQTPZ-DOTOQJQBSA-N 0 3 307.397 3.164 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc3nccc(C)c3c2)nc(C)n1 ZINC000353525534 229279362 /nfs/dbraw/zinc/27/93/62/229279362.db2.gz GUMKGYRVEOSEEX-MRXNPFEDSA-N 0 3 316.364 3.440 20 30 DGEDHN N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccncn1 ZINC000354464941 229294898 /nfs/dbraw/zinc/29/48/98/229294898.db2.gz LGHTVMJTNBBMEF-OAHLLOKOSA-N 0 3 316.320 3.154 20 30 DGEDHN CC(C#N)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000357019003 229343498 /nfs/dbraw/zinc/34/34/98/229343498.db2.gz LMTYYRDFANJQQM-VIFPVBQESA-N 0 3 305.790 3.239 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)cccc1C#N)c1cccc(F)c1 ZINC000302446632 230247796 /nfs/dbraw/zinc/24/77/96/230247796.db2.gz OESRFZPLTGQUON-QGZVFWFLSA-N 0 3 308.360 3.284 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000532987910 269834687 /nfs/dbraw/zinc/83/46/87/269834687.db2.gz QJHSCFRPBGQDDE-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN CSC1(CNc2cc(C(C)=O)ccc2C#N)CCN(C)CC1 ZINC000357575007 270003821 /nfs/dbraw/zinc/00/38/21/270003821.db2.gz YCWBANZKZAQELO-UHFFFAOYSA-N 0 3 317.458 3.000 20 30 DGEDHN Cc1cc(C)c(C#N)c(N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000360358858 270004397 /nfs/dbraw/zinc/00/43/97/270004397.db2.gz HBRADHQJZFPHOE-UHFFFAOYSA-N 0 3 312.461 3.271 20 30 DGEDHN CCC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000351971084 266017768 /nfs/dbraw/zinc/01/77/68/266017768.db2.gz OHJRFQBDKRVISE-SFHVURJKSA-N 0 3 311.429 3.176 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1cccc(C#N)c1F ZINC000353172029 266046366 /nfs/dbraw/zinc/04/63/66/266046366.db2.gz STJVVPKICLPAOU-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1ccc(C#N)cc1OC ZINC000353158130 266047307 /nfs/dbraw/zinc/04/73/07/266047307.db2.gz XTSXFBXBKSFVMC-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355405485 266064078 /nfs/dbraw/zinc/06/40/78/266064078.db2.gz BAWUOWHLSOVPMB-HOTGVXAUSA-N 0 3 313.445 3.170 20 30 DGEDHN CC[C@H](C)[C@@H](C)N(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000355818380 266196602 /nfs/dbraw/zinc/19/66/02/266196602.db2.gz IJSSHVSPMGHTHG-LSDHHAIUSA-N 0 3 313.445 3.073 20 30 DGEDHN CC[C@@H](C)[C@H](C)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000355821565 266367246 /nfs/dbraw/zinc/36/72/46/266367246.db2.gz SCJLRWJZAYXIMH-CABCVRRESA-N 0 3 313.445 3.073 20 30 DGEDHN C[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000352771046 267024744 /nfs/dbraw/zinc/02/47/44/267024744.db2.gz WGHCCUQNKLATTF-RKVPGOIHSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 ZINC000362995840 267026591 /nfs/dbraw/zinc/02/65/91/267026591.db2.gz FDYNFSDVPPTUON-MGPQQGTHSA-N 0 3 317.458 3.097 20 30 DGEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000351627245 267027055 /nfs/dbraw/zinc/02/70/55/267027055.db2.gz INJFMJCZZUGNFV-IUODEOHRSA-N 0 3 324.371 3.143 20 30 DGEDHN C[C@@H]1CSC[C@H]1NCc1cc(C#N)ccc1Br ZINC000352791908 267074404 /nfs/dbraw/zinc/07/44/04/267074404.db2.gz JUJXPYYFPKXCHM-NOZJJQNGSA-N 0 3 311.248 3.162 20 30 DGEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2ccc(C#N)s2)C1 ZINC000362921218 267086808 /nfs/dbraw/zinc/08/68/08/267086808.db2.gz AVOISQIKQVICAI-BETUJISGSA-N 0 3 319.474 3.106 20 30 DGEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000367885146 267179994 /nfs/dbraw/zinc/17/99/94/267179994.db2.gz KBCBYNPKTCEONK-LBPRGKRZSA-N 0 3 311.351 3.063 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(C#N)cc1 ZINC000353569314 267235136 /nfs/dbraw/zinc/23/51/36/267235136.db2.gz VOVBEUWTBKXMKJ-KRWDZBQOSA-N 0 3 305.425 3.265 20 30 DGEDHN Cc1cc(N2CCN(Cc3ccccc3)C[C@H](C)C2)c(C#N)cn1 ZINC000399480569 267339603 /nfs/dbraw/zinc/33/96/03/267339603.db2.gz FAMNJSPMYVIKMG-INIZCTEOSA-N 0 3 320.440 3.220 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCN(c3ccc(F)c(F)c3)C2)o1 ZINC000372638040 268074044 /nfs/dbraw/zinc/07/40/44/268074044.db2.gz ZPCYRUNGYZBSOL-GFCCVEGCSA-N 0 3 317.339 3.046 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)OCCCO3)CC2 ZINC000353416979 268223262 /nfs/dbraw/zinc/22/32/62/268223262.db2.gz YVGPCRFKPRLVCC-GOSISDBHSA-N 0 3 320.392 3.497 20 30 DGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccccc1 ZINC000528336813 268299787 /nfs/dbraw/zinc/29/97/87/268299787.db2.gz ISADXYUXXACOAT-MOPGFXCFSA-N 0 3 322.408 3.135 20 30 DGEDHN N#Cc1cnc2c(F)cc(F)cc2c1NCCN1CCCCC1 ZINC000352300778 268313180 /nfs/dbraw/zinc/31/31/80/268313180.db2.gz GCXRNDOYEPGOPK-UHFFFAOYSA-N 0 3 316.355 3.282 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1cc(C)cc(CN(C)C)c1)OCC ZINC000270398533 432242072 /nfs/dbraw/zinc/24/20/72/432242072.db2.gz VJQDYRQYUXHKDC-QGZVFWFLSA-N 0 3 304.434 3.366 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000182948757 432244325 /nfs/dbraw/zinc/24/43/25/432244325.db2.gz ZPIZUHCPVBKZHT-QWRGUYRKSA-N 0 3 303.406 3.121 20 30 DGEDHN C[C@H]1C[C@H](Nc2cccnc2C#N)CCN1Cc1ccccc1 ZINC000368117594 271141063 /nfs/dbraw/zinc/14/10/63/271141063.db2.gz YUIBIXSAGFRCDD-DOTOQJQBSA-N 0 3 306.413 3.418 20 30 DGEDHN CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000163254771 273756682 /nfs/dbraw/zinc/75/66/82/273756682.db2.gz CKTPMUMTGBZTBH-ZFWWWQNUSA-N 0 3 303.406 3.265 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)cc1 ZINC000126299152 274258392 /nfs/dbraw/zinc/25/83/92/274258392.db2.gz WSLKSZUTMNQZNX-CZUORRHYSA-N 0 3 310.376 3.022 20 30 DGEDHN Clc1cccc(C#CCN2CCN(C3CCCC3)CC2)c1 ZINC000156052423 274883704 /nfs/dbraw/zinc/88/37/04/274883704.db2.gz JGCQGYTXIAAAME-UHFFFAOYSA-N 0 3 302.849 3.252 20 30 DGEDHN N#Cc1ccnc(N2CCC[C@H]2CN2CCCCC2)c1Cl ZINC000429202213 274928749 /nfs/dbraw/zinc/92/87/49/274928749.db2.gz UGIJCKLWQWKFFV-AWEZNQCLSA-N 0 3 304.825 3.061 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000173160808 275427667 /nfs/dbraw/zinc/42/76/67/275427667.db2.gz DZUMJXIVQKVJCL-CTNGQTDRSA-N 0 3 324.468 3.047 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)OCC ZINC000274600618 277799689 /nfs/dbraw/zinc/79/96/89/277799689.db2.gz HOCVPKTXXIXHHY-IEZWGBDMSA-N 0 3 318.461 3.165 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC12CCN(CCC(C)(C)C#N)CC2 ZINC000495990039 278382859 /nfs/dbraw/zinc/38/28/59/278382859.db2.gz FSEQDOBZPDMMFI-UHFFFAOYSA-N 0 3 321.465 3.402 20 30 DGEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000274930427 278579486 /nfs/dbraw/zinc/57/94/86/278579486.db2.gz NLBGMJRXFRANBL-OLZOCXBDSA-N 0 3 303.406 3.083 20 30 DGEDHN C[C@@H]1[C@@H](CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000412071234 279084923 /nfs/dbraw/zinc/08/49/23/279084923.db2.gz GQGYJMVLGLEFOM-UKRRQHHQSA-N 0 3 311.347 3.150 20 30 DGEDHN CC(C)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)Nc1nccs1 ZINC000193066965 279194938 /nfs/dbraw/zinc/19/49/38/279194938.db2.gz IGWOBRJXZFXAJN-MJBXVCDLSA-N 0 3 320.462 3.168 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000483252403 279218567 /nfs/dbraw/zinc/21/85/67/279218567.db2.gz WLZRDSVKPOYRBT-HZPDHXFCSA-N 0 3 319.493 3.476 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000068713418 431138970 /nfs/dbraw/zinc/13/89/70/431138970.db2.gz JCLGYUURXYPUGD-FUHWJXTLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000110425535 431191060 /nfs/dbraw/zinc/19/10/60/431191060.db2.gz XPFCLZQGKYLZIV-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000111256927 431202948 /nfs/dbraw/zinc/20/29/48/431202948.db2.gz BNHMEFHXAYHZNL-CYBMUJFWSA-N 0 3 322.399 3.382 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000069606945 431203895 /nfs/dbraw/zinc/20/38/95/431203895.db2.gz MEJAAROQRJXKKG-ZFWWWQNUSA-N 0 3 314.433 3.109 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000111259275 431204362 /nfs/dbraw/zinc/20/43/62/431204362.db2.gz YXKLSOWPUHACJN-AWEZNQCLSA-N 0 3 304.409 3.071 20 30 DGEDHN CC1CCN(c2ccc(CNCc3ccc(C#N)cc3)cn2)CC1 ZINC000069708850 431213196 /nfs/dbraw/zinc/21/31/96/431213196.db2.gz YMQDEKXMRSMBRY-UHFFFAOYSA-N 0 3 320.440 3.479 20 30 DGEDHN CCCCN(C)CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112466312 431278392 /nfs/dbraw/zinc/27/83/92/431278392.db2.gz PTAVPKSMYRXTIG-UHFFFAOYSA-N 0 3 308.813 3.065 20 30 DGEDHN C=CCOc1cccc(NC(=O)NCCN(C)CCCC)c1 ZINC000112464907 431279807 /nfs/dbraw/zinc/27/98/07/431279807.db2.gz OBNYMHZSTSJAJF-UHFFFAOYSA-N 0 3 305.422 3.105 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1 ZINC000113317115 431341279 /nfs/dbraw/zinc/34/12/79/431341279.db2.gz GWNJUKVJYVGWSP-UHFFFAOYSA-N 0 3 322.408 3.337 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(N(CC)CC)nc2)cc1 ZINC000113325245 431342351 /nfs/dbraw/zinc/34/23/51/431342351.db2.gz SZDWHRXBTYNMLK-UHFFFAOYSA-N 0 3 323.440 3.230 20 30 DGEDHN N#CCCN(C(=O)CN1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000075769092 431494649 /nfs/dbraw/zinc/49/46/49/431494649.db2.gz ICEPUTVDLKFFOQ-WMZOPIPTSA-N 0 3 311.429 3.198 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000012284585 431500792 /nfs/dbraw/zinc/50/07/92/431500792.db2.gz ZXSJTQJCCTZYDD-SFHVURJKSA-N 0 3 319.408 3.409 20 30 DGEDHN CCc1ccc([C@H](NCC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC000076676745 431562363 /nfs/dbraw/zinc/56/23/63/431562363.db2.gz CSINJGWGUWNDMM-LJQANCHMSA-N 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BSHSBXUPUFNPAU-QZTJIDSGSA-N 0 3 314.429 3.346 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)CCc2ccccc2F)CC1 ZINC000080079572 431762875 /nfs/dbraw/zinc/76/28/75/431762875.db2.gz NEZIRIOLQCOJCL-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC(C)C)CC2)CC1 ZINC000119952291 431717933 /nfs/dbraw/zinc/71/79/33/431717933.db2.gz UPOQEMVWGAZMGS-UHFFFAOYSA-N 0 3 307.482 3.152 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000119901560 431719844 /nfs/dbraw/zinc/71/98/44/431719844.db2.gz XPEHDQOSLKQMOU-MAUKXSAKSA-N 0 3 318.486 3.441 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000121572002 431803003 /nfs/dbraw/zinc/80/30/03/431803003.db2.gz QNVXBXKNBZWROJ-UHFFFAOYSA-N 0 3 319.408 3.032 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1ccccc1OC(F)(F)F ZINC000121850730 431805664 /nfs/dbraw/zinc/80/56/64/431805664.db2.gz BZYKNYIUTLACNQ-ZDUSSCGKSA-N 0 3 303.324 3.344 20 30 DGEDHN N#Cc1ccc(CNCCc2nc(C(F)(F)F)cs2)cc1 ZINC000080520509 431769440 /nfs/dbraw/zinc/76/94/40/431769440.db2.gz MPHHOXQGOWFFBK-UHFFFAOYSA-N 0 3 311.332 3.366 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(F)cc(F)c1 ZINC000123444017 431865003 /nfs/dbraw/zinc/86/50/03/431865003.db2.gz FPZCRSNRSORMFD-ZDUSSCGKSA-N 0 3 311.291 3.342 20 30 DGEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@H]1CCCCO1 ZINC000092427833 431908835 /nfs/dbraw/zinc/90/88/35/431908835.db2.gz WHDNSARFPPCGFW-GOSISDBHSA-N 0 3 302.418 3.370 20 30 DGEDHN C#CCOc1ccccc1CN1CCC(OC(C)(C)C)CC1 ZINC000092454281 431909890 /nfs/dbraw/zinc/90/98/90/431909890.db2.gz ZLVXOQHEWXUCNW-UHFFFAOYSA-N 0 3 301.430 3.478 20 30 DGEDHN C=CC1CCN(Cc2ccc(OCC(=O)OCC)cc2)CC1 ZINC000124996570 431910725 /nfs/dbraw/zinc/91/07/25/431910725.db2.gz KURUGNPDPHTNOD-UHFFFAOYSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cccs1)C(C)C ZINC000047633565 431913444 /nfs/dbraw/zinc/91/34/44/431913444.db2.gz JZYNPUMVVJSBCV-MRXNPFEDSA-N 0 3 306.475 3.105 20 30 DGEDHN CN(CC(C)(C)CCC#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385665 431914004 /nfs/dbraw/zinc/91/40/04/431914004.db2.gz ZQARCCGZGOPTKA-MRXNPFEDSA-N 0 3 317.408 3.193 20 30 DGEDHN N#Cc1csc(CNC[C@H](c2ccco2)N2CCCC2)c1 ZINC000093492050 431916021 /nfs/dbraw/zinc/91/60/21/431916021.db2.gz GVSIBEFONRVRTE-OAHLLOKOSA-N 0 3 301.415 3.139 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000094134679 431919685 /nfs/dbraw/zinc/91/96/85/431919685.db2.gz BPFMGRTYHVJQAQ-WFFDWFOESA-N 0 3 322.493 3.005 20 30 DGEDHN CCN(CC)C(=O)C[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000090664496 431893868 /nfs/dbraw/zinc/89/38/68/431893868.db2.gz OWFBPOCSEVPAQS-RDJZCZTQSA-N 0 3 301.434 3.268 20 30 DGEDHN COc1ccc(OCCCN(C)Cc2cccc(C#N)c2)cc1 ZINC000046518088 431897849 /nfs/dbraw/zinc/89/78/49/431897849.db2.gz QTEMRUFTCKDBBJ-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN Cc1ccc([C@H](O)CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126116109 431942829 /nfs/dbraw/zinc/94/28/29/431942829.db2.gz CAUKMEVCHMHAHD-IOJLRTSASA-N 0 3 306.409 3.242 20 30 DGEDHN C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)cc1 ZINC000126299392 431947303 /nfs/dbraw/zinc/94/73/03/431947303.db2.gz WSLKSZUTMNQZNX-BBRMVZONSA-N 0 3 310.376 3.022 20 30 DGEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2sccc2C#N)C1 ZINC000052148245 431954339 /nfs/dbraw/zinc/95/43/39/431954339.db2.gz QIUPNFHVPWHIPQ-BETUJISGSA-N 0 3 319.474 3.106 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C(C)C)CC2)ccc1OC ZINC000127041363 431963000 /nfs/dbraw/zinc/96/30/00/431963000.db2.gz VMYWAOHONALDIU-UHFFFAOYSA-N 0 3 318.461 3.176 20 30 DGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC(C)(C)C#N ZINC000278592056 281128447 /nfs/dbraw/zinc/12/84/47/281128447.db2.gz UEKQJZVGYKTRGL-NVXWUHKLSA-N 0 3 311.429 3.069 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@@H]1C ZINC000248367712 432281732 /nfs/dbraw/zinc/28/17/32/432281732.db2.gz UJCHXSBDXHCFOZ-WOPDTQHZSA-N 0 3 305.809 3.269 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]2CCC[C@@H]21 ZINC000173811560 432301944 /nfs/dbraw/zinc/30/19/44/432301944.db2.gz LWALKHUTAVGODP-OCCSQVGLSA-N 0 3 303.431 3.213 20 30 DGEDHN N#CCCCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000102397968 431993635 /nfs/dbraw/zinc/99/36/35/431993635.db2.gz XUIQKUMCOBUBGU-UHFFFAOYSA-N 0 3 319.836 3.182 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000058451143 431996690 /nfs/dbraw/zinc/99/66/90/431996690.db2.gz ALIFVQXUNDIYEA-HNNXBMFYSA-N 0 3 314.433 3.109 20 30 DGEDHN N#Cc1ccc(N2CCN([C@@H]3CCCc4ccccc43)CC2)nc1 ZINC000060480535 432000099 /nfs/dbraw/zinc/00/00/99/432000099.db2.gz ZUFMWSSOAAYLCE-LJQANCHMSA-N 0 3 318.424 3.153 20 30 DGEDHN CC(C)CN(CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000060857073 432000922 /nfs/dbraw/zinc/00/09/22/432000922.db2.gz MMGNAUNKWJCUAE-UHFFFAOYSA-N 0 3 301.434 3.300 20 30 DGEDHN COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000174052866 432317168 /nfs/dbraw/zinc/31/71/68/432317168.db2.gz WVGJASKRLVAOJE-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN C=CCCCCCN(C)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000271157751 432338634 /nfs/dbraw/zinc/33/86/34/432338634.db2.gz CAJLIRNRPZKLAR-UHFFFAOYSA-N 0 3 321.465 3.241 20 30 DGEDHN CC(C)(C)OC(=O)C1CCC(NCc2ccc(C#N)o2)CC1 ZINC000271204919 432353306 /nfs/dbraw/zinc/35/33/06/432353306.db2.gz BZHQLOFTPPZEDI-UHFFFAOYSA-N 0 3 304.390 3.141 20 30 DGEDHN C=CCc1cc(CN2CCSCC[C@H]2C)cc(OC)c1O ZINC000191816173 432304510 /nfs/dbraw/zinc/30/45/10/432304510.db2.gz SFXTZHWRVBUVTQ-CYBMUJFWSA-N 0 3 307.459 3.457 20 30 DGEDHN COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000270994573 432312581 /nfs/dbraw/zinc/31/25/81/432312581.db2.gz FRMMXOZHQSJSFY-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN C#CCCCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000271342785 432377201 /nfs/dbraw/zinc/37/72/01/432377201.db2.gz CVLDCQMXTNTBKZ-UHFFFAOYSA-N 0 3 324.468 3.229 20 30 DGEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000252499698 432380441 /nfs/dbraw/zinc/38/04/41/432380441.db2.gz JCMOOAZVLFRPRG-CVEARBPZSA-N 0 3 305.466 3.086 20 30 DGEDHN C#CCCCCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000271403616 432388769 /nfs/dbraw/zinc/38/87/69/432388769.db2.gz IMVQWQUBLBQZFZ-UHFFFAOYSA-N 0 3 312.457 3.303 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000271432580 432393839 /nfs/dbraw/zinc/39/38/39/432393839.db2.gz BKGBKSVBFOYORQ-IFXJQAMLSA-N 0 3 310.397 3.433 20 30 DGEDHN C=C(Cl)CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000271435620 432395949 /nfs/dbraw/zinc/39/59/49/432395949.db2.gz CQYKOVLESPNPJV-UHFFFAOYSA-N 0 3 313.228 3.287 20 30 DGEDHN C=CCOc1cccc(CNC[C@@H]2COC3(CCCC3)O2)c1 ZINC000271454948 432399235 /nfs/dbraw/zinc/39/92/35/432399235.db2.gz SHHRPPKWGDVSPY-QGZVFWFLSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1OC ZINC000152837824 432361850 /nfs/dbraw/zinc/36/18/50/432361850.db2.gz TVDFJVCSTSNMQW-OAGGEKHMSA-N 0 3 303.402 3.060 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]2CCO[C@H]21 ZINC000271913565 432428932 /nfs/dbraw/zinc/42/89/32/432428932.db2.gz YLAOLYBBHIJRIR-BZUAXINKSA-N 0 3 323.358 3.460 20 30 DGEDHN CC(C)(C#N)CCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000272072464 432439978 /nfs/dbraw/zinc/43/99/78/432439978.db2.gz ZLDQESUKNUUYCB-QGZVFWFLSA-N 0 3 300.402 3.438 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccccc1C#N)CCc1ccco1 ZINC000272299022 432477985 /nfs/dbraw/zinc/47/79/85/432477985.db2.gz PLQGUMUUWQBTCL-UHFFFAOYSA-N 0 3 323.396 3.211 20 30 DGEDHN CN(Cc1ccccc1)[C@H](CNCc1ccc(C#N)o1)C1CC1 ZINC000185223107 432479282 /nfs/dbraw/zinc/47/92/82/432479282.db2.gz JQINEIIBLVRQKH-LJQANCHMSA-N 0 3 309.413 3.151 20 30 DGEDHN CC(C)(C)c1cnc(CNC(=N)Nc2cc(F)ccc2F)o1 ZINC000262323006 432481358 /nfs/dbraw/zinc/48/13/58/432481358.db2.gz WHUASCRYZIOUFJ-UHFFFAOYSA-N 0 3 308.332 3.177 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)cc1F)C(C)C ZINC000185232172 432481723 /nfs/dbraw/zinc/48/17/23/432481723.db2.gz AKDNGJSQLZNFAS-KRWDZBQOSA-N 0 3 306.381 3.155 20 30 DGEDHN C[C@H](CCN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000193675834 432490033 /nfs/dbraw/zinc/49/00/33/432490033.db2.gz YUOWCMQDPMUWJY-QGZVFWFLSA-N 0 3 320.440 3.269 20 30 DGEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000154349485 432492729 /nfs/dbraw/zinc/49/27/29/432492729.db2.gz NUVNONVVMZBASF-INIZCTEOSA-N 0 3 305.466 3.087 20 30 DGEDHN C=CCc1cc(CN2CCC(C)(OC)CC2)cc(OC)c1O ZINC000272408436 432495167 /nfs/dbraw/zinc/49/51/67/432495167.db2.gz YTFJMEJKCBBOQD-UHFFFAOYSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(CC)CCOCC1)C(C)C ZINC000272211497 432463031 /nfs/dbraw/zinc/46/30/31/432463031.db2.gz FLKYBPRKWQFNCM-QGZVFWFLSA-N 0 3 322.493 3.008 20 30 DGEDHN CCCCCCCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000193346008 432467481 /nfs/dbraw/zinc/46/74/81/432467481.db2.gz OKRKRMJOEPQCKX-UHFFFAOYSA-N 0 3 315.421 3.229 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000194097973 432525276 /nfs/dbraw/zinc/52/52/76/432525276.db2.gz AGBRSBIAXBNLCM-UHFFFAOYSA-N 0 3 301.434 3.280 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCCOc2cccc(Br)c2)C1 ZINC000185793613 432534055 /nfs/dbraw/zinc/53/40/55/432534055.db2.gz RJLDTIKUVYRJOZ-OCCSQVGLSA-N 0 3 323.234 3.500 20 30 DGEDHN CN(C)[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F ZINC000185834973 432537030 /nfs/dbraw/zinc/53/70/30/432537030.db2.gz ZPGBQIKQBSMXBZ-ZENOOKHLSA-N 0 3 307.388 3.239 20 30 DGEDHN COc1ccc([C@H]2CCN(CCOc3ccccc3C#N)C2)cc1 ZINC000155192383 432543369 /nfs/dbraw/zinc/54/33/69/432543369.db2.gz VJNNLEMHGQVWBU-SFHVURJKSA-N 0 3 322.408 3.435 20 30 DGEDHN C=CCc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)cc(OC)c1O ZINC000273068726 432546388 /nfs/dbraw/zinc/54/63/88/432546388.db2.gz GPQVBUYGGLSCAL-RBUKOAKNSA-N 0 3 317.429 3.177 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)ccc2OC)C12CCC2 ZINC000157124295 432615221 /nfs/dbraw/zinc/61/52/21/432615221.db2.gz LIWNTBLKCNUSNW-ROUUACIJSA-N 0 3 314.429 3.346 20 30 DGEDHN N#CCCN(CC1CC1)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000264102895 432615772 /nfs/dbraw/zinc/61/57/72/432615772.db2.gz ALSDCIVDJBYFHU-UHFFFAOYSA-N 0 3 311.429 3.048 20 30 DGEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc(C)c(C)s2)c1 ZINC000155652133 432566501 /nfs/dbraw/zinc/56/65/01/432566501.db2.gz JBTUXXMSUNSAQW-AWEZNQCLSA-N 0 3 313.382 3.208 20 30 DGEDHN N#Cc1ccc(CNCCCOCCc2ccccc2)s1 ZINC000176951517 432569225 /nfs/dbraw/zinc/56/92/25/432569225.db2.gz YQKBIQCXCBFSNE-UHFFFAOYSA-N 0 3 300.427 3.359 20 30 DGEDHN COc1ccc([C@H](CN2CCCC2)Nc2ccc(C#N)nc2)cc1 ZINC000273309623 432582728 /nfs/dbraw/zinc/58/27/28/432582728.db2.gz NEFWYWSSEKSDAQ-IBGZPJMESA-N 0 3 322.412 3.211 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186400223 432591358 /nfs/dbraw/zinc/59/13/58/432591358.db2.gz XCBHNELWLIKHIA-AEFFLSMTSA-N 0 3 302.418 3.250 20 30 DGEDHN C[C@H](O)[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177149359 432591432 /nfs/dbraw/zinc/59/14/32/432591432.db2.gz WTGKIQDPLIGAEO-BBRMVZONSA-N 0 3 311.347 3.292 20 30 DGEDHN N#CCCN(C(=O)CN1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000263969570 432599605 /nfs/dbraw/zinc/59/96/05/432599605.db2.gz AZFNBGYWHDCZHO-GOSISDBHSA-N 0 3 311.429 3.198 20 30 DGEDHN C[C@@H](NC(=O)C1(C#N)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000186917531 432637326 /nfs/dbraw/zinc/63/73/26/432637326.db2.gz VHKRAABYVRNCDN-WBVHZDCISA-N 0 3 313.445 3.268 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCC2(CC2)C1 ZINC000186996404 432642087 /nfs/dbraw/zinc/64/20/87/432642087.db2.gz DUYBVJHMPKGLHV-QGZVFWFLSA-N 0 3 301.430 3.031 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000264412012 432644037 /nfs/dbraw/zinc/64/40/37/432644037.db2.gz UARAMVBAZVQNAT-MRXNPFEDSA-N 0 3 315.461 3.130 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncnc3cccc(F)c32)CC1 ZINC000264477449 432649802 /nfs/dbraw/zinc/64/98/02/432649802.db2.gz KNXVTTHIFMOSGU-UHFFFAOYSA-N 0 3 300.381 3.221 20 30 DGEDHN N#Cc1csc(CNCCc2nccn2Cc2ccccc2)c1 ZINC000177684204 432649911 /nfs/dbraw/zinc/64/99/11/432649911.db2.gz RQBNWUKLIVFWOO-UHFFFAOYSA-N 0 3 322.437 3.197 20 30 DGEDHN CC#CCCCC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000274354647 432656537 /nfs/dbraw/zinc/65/65/37/432656537.db2.gz PZPOAKQXEBWTDD-UHFFFAOYSA-N 0 3 302.418 3.068 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000187498976 432667126 /nfs/dbraw/zinc/66/71/26/432667126.db2.gz CHZAQRGZMZZGIR-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000159937686 432701847 /nfs/dbraw/zinc/70/18/47/432701847.db2.gz ANYVATBEODCMPH-SJLPKXTDSA-N 0 3 313.445 3.033 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000227684856 432713813 /nfs/dbraw/zinc/71/38/13/432713813.db2.gz PHYSOJUUDPJRID-CHWSQXEVSA-N 0 3 303.406 3.122 20 30 DGEDHN CC(C)CN1CCN(c2cccc(Br)c2C#N)CC1 ZINC000228703816 432719753 /nfs/dbraw/zinc/71/97/53/432719753.db2.gz JSVBDRBLLNKNKN-UHFFFAOYSA-N 0 3 322.250 3.099 20 30 DGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C/CN(C)C ZINC000265663375 432719768 /nfs/dbraw/zinc/71/97/68/432719768.db2.gz FHQWCUUJKVJAKW-YSKGHYERSA-N 0 3 303.431 3.137 20 30 DGEDHN C[C@H]1CCN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000266182755 432753330 /nfs/dbraw/zinc/75/33/30/432753330.db2.gz CPDRMURRXODBOA-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189030500 432759114 /nfs/dbraw/zinc/75/91/14/432759114.db2.gz NQJXFQLVMDCQPG-QZTJIDSGSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000276022617 432768463 /nfs/dbraw/zinc/76/84/63/432768463.db2.gz CJQFQUIGDBZHOL-WMZOPIPTSA-N 0 3 315.461 3.115 20 30 DGEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000266655319 432776595 /nfs/dbraw/zinc/77/65/95/432776595.db2.gz KHJKHCDZXLJREA-CYBMUJFWSA-N 0 3 305.447 3.217 20 30 DGEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1ccc(N(C)C)cc1 ZINC000276772448 432824613 /nfs/dbraw/zinc/82/46/13/432824613.db2.gz OTGVHTYWBHJSGF-UHFFFAOYSA-N 0 3 310.445 3.373 20 30 DGEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000189487715 432791409 /nfs/dbraw/zinc/79/14/09/432791409.db2.gz FPMDEYPPBZRZME-JKSUJKDBSA-N 0 3 317.458 3.151 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(F)c(Br)c2)o1 ZINC000237736393 432798915 /nfs/dbraw/zinc/79/89/15/432798915.db2.gz IPDSHESMIXHNMZ-UHFFFAOYSA-N 0 3 323.165 3.385 20 30 DGEDHN Cc1ccc(C#N)c(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1 ZINC000161821468 432800258 /nfs/dbraw/zinc/80/02/58/432800258.db2.gz ZRJNVDFNHSYIKZ-QAPCUYQASA-N 0 3 306.413 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000245929190 432869927 /nfs/dbraw/zinc/86/99/27/432869927.db2.gz QDOILRZKNFQTGE-IXDOHACOSA-N 0 3 304.478 3.360 20 30 DGEDHN N#CCCn1cc(CNC2CC(F)(F)C2)c(-c2ccccc2)n1 ZINC000277697799 432870649 /nfs/dbraw/zinc/87/06/49/432870649.db2.gz QZQVVGRROANDFY-UHFFFAOYSA-N 0 3 316.355 3.351 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287974362 432881980 /nfs/dbraw/zinc/88/19/80/432881980.db2.gz JVDZZYGJNUXRRL-RDJZCZTQSA-N 0 3 301.434 3.061 20 30 DGEDHN CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1csc(=O)[n-]1 ZINC000329983488 432886284 /nfs/dbraw/zinc/88/62/84/432886284.db2.gz PQFFEMGLDCOTGE-UHFFFAOYSA-N 0 3 311.451 3.198 20 30 DGEDHN C[C@H]1CCN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000288380096 432891177 /nfs/dbraw/zinc/89/11/77/432891177.db2.gz LRRSKNYYWFHPEW-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000245623619 432850162 /nfs/dbraw/zinc/85/01/62/432850162.db2.gz XPEHDQOSLKQMOU-QAPCUYQASA-N 0 3 318.486 3.441 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000245724411 432859416 /nfs/dbraw/zinc/85/94/16/432859416.db2.gz DQDJKTXGDNSWMZ-FCEWJHQRSA-N 0 3 324.428 3.257 20 30 DGEDHN CC(C)Nc1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cn1 ZINC000331071134 432929108 /nfs/dbraw/zinc/92/91/08/432929108.db2.gz ISOZUXRFJQSYFZ-CABCVRRESA-N 0 3 318.465 3.327 20 30 DGEDHN CCCOc1ncccc1CNC(=N)Nc1cc(F)ccc1F ZINC000288748094 432896678 /nfs/dbraw/zinc/89/66/78/432896678.db2.gz QKUJZDOGOIFYDY-UHFFFAOYSA-N 0 3 320.343 3.075 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000278657784 432897550 /nfs/dbraw/zinc/89/75/50/432897550.db2.gz AUOBZGSJAMGIDL-NVXWUHKLSA-N 0 3 313.445 3.096 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000278609617 432898438 /nfs/dbraw/zinc/89/84/38/432898438.db2.gz MMGBXLNAAKONAV-DYVFJYSZSA-N 0 3 315.392 3.168 20 30 DGEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330238555 432899459 /nfs/dbraw/zinc/89/94/59/432899459.db2.gz HZIQXNQUXOQRFD-ZJIFWQFVSA-N 0 3 316.449 3.060 20 30 DGEDHN [O-]C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330238555 432899460 /nfs/dbraw/zinc/89/94/60/432899460.db2.gz HZIQXNQUXOQRFD-ZJIFWQFVSA-N 0 3 316.449 3.060 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCCc2ccccc21 ZINC000330251277 432899716 /nfs/dbraw/zinc/89/97/16/432899716.db2.gz HNWLXOZKBWPOFQ-ZHALLVOQSA-N 0 3 314.429 3.178 20 30 DGEDHN O=C(CN1CC[C@@H](O)C12CCCC2)NCCC1CCCCC1 ZINC000330319478 432903149 /nfs/dbraw/zinc/90/31/49/432903149.db2.gz DFZWMQRZAKYQAD-MRXNPFEDSA-N 0 3 308.466 3.293 20 30 DGEDHN CCN(Cc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279512573 432977689 /nfs/dbraw/zinc/97/76/89/432977689.db2.gz RUAGILRITVOZGQ-LJQANCHMSA-N 0 3 317.392 3.289 20 30 DGEDHN C[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280034537 432999763 /nfs/dbraw/zinc/99/97/63/432999763.db2.gz NLQICUWOFFMNON-FHLIZLRMSA-N 0 3 309.413 3.326 20 30 DGEDHN CCN1CCC[C@H]1CN(Cc1ccc(C#N)o1)Cc1ccncc1 ZINC000289384988 432952222 /nfs/dbraw/zinc/95/22/22/432952222.db2.gz CZQVFDUKTPPCCC-KRWDZBQOSA-N 0 3 324.428 3.033 20 30 DGEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2ccccc2C)CC1 ZINC000297669186 433004812 /nfs/dbraw/zinc/00/48/12/433004812.db2.gz NRBVKLQXIXAAIR-UHFFFAOYSA-N 0 3 315.461 3.180 20 30 DGEDHN C=CCN1CCC(NC(=O)CCSCc2ccccc2)CC1 ZINC000280155678 433007178 /nfs/dbraw/zinc/00/71/78/433007178.db2.gz BBUKFUUGHSDYHW-UHFFFAOYSA-N 0 3 318.486 3.077 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H](CO)C[C@@H]2C)ccc1OC ZINC000290221187 433015998 /nfs/dbraw/zinc/01/59/98/433015998.db2.gz RPNDUORKUUVRFF-RDJZCZTQSA-N 0 3 319.445 3.243 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C3CC3)ccn2)CC1 ZINC000290235861 433019425 /nfs/dbraw/zinc/01/94/25/433019425.db2.gz ZTNMBKBSHQZFHN-UHFFFAOYSA-N 0 3 314.433 3.121 20 30 DGEDHN C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@@H]1C ZINC000349874594 433028367 /nfs/dbraw/zinc/02/83/67/433028367.db2.gz MMPIVWXAQZAPLT-STQMWFEESA-N 0 3 319.836 3.204 20 30 DGEDHN C[C@H](CCC#N)N(C)C[C@H](O)c1ccccc1Br ZINC000298070274 433045799 /nfs/dbraw/zinc/04/57/99/433045799.db2.gz GXYMOFJYKVRRGZ-RISCZKNCSA-N 0 3 311.223 3.107 20 30 DGEDHN CCN(CC)c1ncc(CNCCc2cccc(C#N)c2)s1 ZINC000341484925 433086706 /nfs/dbraw/zinc/08/67/06/433086706.db2.gz LLVKXAMDJMCJTD-UHFFFAOYSA-N 0 3 314.458 3.193 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453322930 433089913 /nfs/dbraw/zinc/08/99/13/433089913.db2.gz AJMPHVHRVHSZEW-PMPSAXMXSA-N 0 3 302.374 3.250 20 30 DGEDHN CCN(CC)[C@@H](CNc1cc(C)ncc1C#N)c1ccsc1 ZINC000425207043 433121476 /nfs/dbraw/zinc/12/14/76/433121476.db2.gz MCGVKXOMDGBUMJ-KRWDZBQOSA-N 0 3 314.458 3.240 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453375543 433131545 /nfs/dbraw/zinc/13/15/45/433131545.db2.gz XCONWCAEKUNINB-HONMWMINSA-N 0 3 311.809 3.351 20 30 DGEDHN COCCSCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373284370 433148306 /nfs/dbraw/zinc/14/83/06/433148306.db2.gz KWNRWAOXYKQMGA-UHFFFAOYSA-N 0 3 316.470 3.417 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000453344028 433109022 /nfs/dbraw/zinc/10/90/22/433109022.db2.gz FEBXKHIRVRMBBJ-BIMULSAOSA-N 0 3 301.308 3.421 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453344082 433110090 /nfs/dbraw/zinc/11/00/90/433110090.db2.gz GVHHOPZICJXXAQ-LSDHHAIUSA-N 0 3 317.351 3.310 20 30 DGEDHN C[C@H](CCC#N)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298392141 433117475 /nfs/dbraw/zinc/11/74/75/433117475.db2.gz OHHDUYSDXXFIFP-RISCZKNCSA-N 0 3 311.223 3.107 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000280638127 433118926 /nfs/dbraw/zinc/11/89/26/433118926.db2.gz ZGGYYAGJXHDPNG-RCCFBDPRSA-N 0 3 307.397 3.032 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000280647159 433121026 /nfs/dbraw/zinc/12/10/26/433121026.db2.gz NTZJTBBVNGINSJ-ABAIWWIYSA-N 0 3 310.781 3.319 20 30 DGEDHN C=CCN1CC[C@H](N(Cc2cccc(F)c2)C2CCCC2)C1=O ZINC000337150139 433209325 /nfs/dbraw/zinc/20/93/25/433209325.db2.gz IMUSGRGEJNIPBF-SFHVURJKSA-N 0 3 316.420 3.357 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000280799490 433175319 /nfs/dbraw/zinc/17/53/19/433175319.db2.gz SCIATINNJWXZIN-BZNIZROVSA-N 0 3 311.809 3.125 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374247777 433180441 /nfs/dbraw/zinc/18/04/41/433180441.db2.gz GUAJKKQIOFJYFN-HXUWFJFHSA-N 0 3 312.457 3.064 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000374412667 433188376 /nfs/dbraw/zinc/18/83/76/433188376.db2.gz VHWLVMSDOGQCPN-HOTGVXAUSA-N 0 3 323.358 3.415 20 30 DGEDHN CCCN(CCn1c(C)csc1=O)Cc1ccc(C#N)cc1 ZINC000298592685 433190044 /nfs/dbraw/zinc/19/00/44/433190044.db2.gz ZMCXWSXRRYORIG-UHFFFAOYSA-N 0 3 315.442 3.002 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCN(C(C)C)CC1 ZINC000453456789 433193180 /nfs/dbraw/zinc/19/31/80/433193180.db2.gz WIMKGBQOCOSJFS-MRXNPFEDSA-N 0 3 319.497 3.288 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](CCCC)c2ccc(OC)cc2)C1=O ZINC000337183104 433211474 /nfs/dbraw/zinc/21/14/74/433211474.db2.gz NKDGEPZNRVNDAC-ZWKOTPCHSA-N 0 3 316.445 3.303 20 30 DGEDHN CC[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447563663 433227923 /nfs/dbraw/zinc/22/79/23/433227923.db2.gz RJMJMCJNPGCASZ-MJGOQNOKSA-N 0 3 319.408 3.404 20 30 DGEDHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)CCCC(C)(C)C#N ZINC000337458243 433236743 /nfs/dbraw/zinc/23/67/43/433236743.db2.gz PZRTUSAOKZSSJU-MRXNPFEDSA-N 0 3 315.461 3.468 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N(C)C[C@H]1CCCN1C ZINC000420632251 433237447 /nfs/dbraw/zinc/23/74/47/433237447.db2.gz HTDRQOADGVGDDZ-OAHLLOKOSA-N 0 3 312.392 3.084 20 30 DGEDHN C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000291397180 433239176 /nfs/dbraw/zinc/23/91/76/433239176.db2.gz DIQYLYUFGHCXAU-AWEZNQCLSA-N 0 3 311.381 3.264 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000291397180 433239187 /nfs/dbraw/zinc/23/91/87/433239187.db2.gz DIQYLYUFGHCXAU-AWEZNQCLSA-N 0 3 311.381 3.264 20 30 DGEDHN C[C@@H]1CC[C@@H](CNCc2cn(CCC#N)nc2-c2ccccc2)O1 ZINC000453627170 433248329 /nfs/dbraw/zinc/24/83/29/433248329.db2.gz HVJUIRMKLVPUIS-QAPCUYQASA-N 0 3 324.428 3.121 20 30 DGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(C(N)=O)c1 ZINC000350681986 433254119 /nfs/dbraw/zinc/25/41/19/433254119.db2.gz MPMDHEJRUOQKRD-UHFFFAOYSA-N 0 3 321.424 3.315 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000374740985 433269619 /nfs/dbraw/zinc/26/96/19/433269619.db2.gz XOHYJEXDELTUNP-GOSISDBHSA-N 0 3 302.381 3.355 20 30 DGEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000281582107 433315400 /nfs/dbraw/zinc/31/54/00/433315400.db2.gz NDEVVPCVWULFIW-CRAIPNDOSA-N 0 3 321.424 3.279 20 30 DGEDHN Cc1cnc(C(C)(C)NCCCC2(C#N)CCOCC2)s1 ZINC000281193350 433271609 /nfs/dbraw/zinc/27/16/09/433271609.db2.gz BXHCGQGJQRVMSB-UHFFFAOYSA-N 0 3 307.463 3.377 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291602112 433281728 /nfs/dbraw/zinc/28/17/28/433281728.db2.gz BXCQAUHULLOMCN-UZLBHIALSA-N 0 3 306.409 3.255 20 30 DGEDHN CN1CC[C@H]2CCN(c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1 ZINC000374856499 433292341 /nfs/dbraw/zinc/29/23/41/433292341.db2.gz LIONVYIEVAOCJJ-XHDPSFHLSA-N 0 3 309.335 3.107 20 30 DGEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccccc1 ZINC000338385070 433295619 /nfs/dbraw/zinc/29/56/19/433295619.db2.gz GRZXVRLOKNQFLX-GOSISDBHSA-N 0 3 306.413 3.157 20 30 DGEDHN CCN(C[C@H](O)COc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299009403 433296760 /nfs/dbraw/zinc/29/67/60/433296760.db2.gz COWYPHXCFUSQPZ-LPHOPBHVSA-N 0 3 324.424 3.381 20 30 DGEDHN CSCCCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000281395435 433297106 /nfs/dbraw/zinc/29/71/06/433297106.db2.gz XCFGEOYPFAPVPO-UHFFFAOYSA-N 0 3 314.458 3.144 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000414012207 433351164 /nfs/dbraw/zinc/35/11/64/433351164.db2.gz RTHPLHWUUMPKNB-KRWDZBQOSA-N 0 3 321.424 3.248 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cc2n(n1)CCC2)C(C)C ZINC000414053165 433364721 /nfs/dbraw/zinc/36/47/21/433364721.db2.gz AMSVCOMYPHJLDN-QFBILLFUSA-N 0 3 316.493 3.179 20 30 DGEDHN C[C@@H]1C[C@H](N(C)C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000291836300 433368870 /nfs/dbraw/zinc/36/88/70/433368870.db2.gz BISSBDFAYSBLTK-SJLPKXTDSA-N 0 3 313.445 3.192 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccccc1Br)C1CC1 ZINC000299561533 433370787 /nfs/dbraw/zinc/37/07/87/433370787.db2.gz GTAVLKZGXNUJMR-UHFFFAOYSA-N 0 3 323.234 3.428 20 30 DGEDHN COC(=O)C[C@@H](NCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000361751885 433374576 /nfs/dbraw/zinc/37/45/76/433374576.db2.gz UIVSJAIGFGXYAN-QGZVFWFLSA-N 0 3 318.392 3.299 20 30 DGEDHN CO[C@@](C)([C@@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000413965025 433328495 /nfs/dbraw/zinc/32/84/95/433328495.db2.gz WLPBJFSBYOUPKP-ALKREAHSSA-N 0 3 314.429 3.079 20 30 DGEDHN CO[C@@](C)([C@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000413965026 433328539 /nfs/dbraw/zinc/32/85/39/433328539.db2.gz WLPBJFSBYOUPKP-GMBSWORKSA-N 0 3 314.429 3.079 20 30 DGEDHN Cc1nc(NC(=O)C(C)C(F)(F)F)sc1SCC#N ZINC000361680660 433337859 /nfs/dbraw/zinc/33/78/59/433337859.db2.gz CWCWYPVEJHIINN-YFKPBYRVSA-N 0 3 309.338 3.204 20 30 DGEDHN COc1cc(CNC[C@@H](c2ccsc2)N(C)C)ccc1C#N ZINC000281663133 433340987 /nfs/dbraw/zinc/34/09/87/433340987.db2.gz KYGMBWCKWCGEBM-INIZCTEOSA-N 0 3 315.442 3.021 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000375320007 433425751 /nfs/dbraw/zinc/42/57/51/433425751.db2.gz MNISFTAMZPIPJI-ZTFGCOKTSA-N 0 3 300.402 3.121 20 30 DGEDHN CCCCN(C)CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426144177 433429610 /nfs/dbraw/zinc/42/96/10/433429610.db2.gz SQDGKNNYLLFNQR-UHFFFAOYSA-N 0 3 308.813 3.065 20 30 DGEDHN C=CCCC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000361807082 433398307 /nfs/dbraw/zinc/39/83/07/433398307.db2.gz SISWXFDAVSCKDW-GOSISDBHSA-N 0 3 312.457 3.466 20 30 DGEDHN C=CCNC(=O)CN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414113966 433403990 /nfs/dbraw/zinc/40/39/90/433403990.db2.gz SPTLWXFZEQXHRM-ZBFHGGJFSA-N 0 3 306.837 3.258 20 30 DGEDHN C=CCNC(=O)CN[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414113960 433405069 /nfs/dbraw/zinc/40/50/69/433405069.db2.gz SPTLWXFZEQXHRM-GDBMZVCRSA-N 0 3 306.837 3.258 20 30 DGEDHN CC(C)(C)CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000301105666 433416334 /nfs/dbraw/zinc/41/63/34/433416334.db2.gz TWCOECKRFZPZGY-UHFFFAOYSA-N 0 3 316.405 3.025 20 30 DGEDHN CN(C)[C@@H](CNc1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000301104962 433418459 /nfs/dbraw/zinc/41/84/59/433418459.db2.gz LFFTZTGWZBHRLI-OAHLLOKOSA-N 0 3 315.367 3.421 20 30 DGEDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000291987986 433422016 /nfs/dbraw/zinc/42/20/16/433422016.db2.gz UKBFBTNDRNJDEW-XJKSGUPXSA-N 0 3 323.371 3.153 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(C#N)s2)c1 ZINC000421083151 433424973 /nfs/dbraw/zinc/42/49/73/433424973.db2.gz ONPTVTPWPXCPSI-UHFFFAOYSA-N 0 3 314.414 3.003 20 30 DGEDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000292049186 433440272 /nfs/dbraw/zinc/44/02/72/433440272.db2.gz YZCQAMAYUVVLSN-CZUORRHYSA-N 0 3 323.371 3.153 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000454471850 433441364 /nfs/dbraw/zinc/44/13/64/433441364.db2.gz ZUIJQYRPXBDZMW-MRXNPFEDSA-N 0 3 321.509 3.495 20 30 DGEDHN CC(C)CN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301204722 433450304 /nfs/dbraw/zinc/45/03/04/433450304.db2.gz YKAISTQKKNSRHN-UHFFFAOYSA-N 0 3 311.351 3.355 20 30 DGEDHN Cc1ccc([C@H](CNc2cc(C)nc(C#N)c2)N2CCCC2)o1 ZINC000342091187 433460848 /nfs/dbraw/zinc/46/08/48/433460848.db2.gz FEZLERFCFWPYEL-KRWDZBQOSA-N 0 3 310.401 3.412 20 30 DGEDHN C=CC[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454523805 433461439 /nfs/dbraw/zinc/46/14/39/433461439.db2.gz LSFIEGHHQKPQBN-IRXDYDNUSA-N 0 3 315.461 3.115 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)[nH]c1C)c1ccccc1 ZINC000448641579 433471116 /nfs/dbraw/zinc/47/11/16/433471116.db2.gz XVUQCAOLANACTN-GOSISDBHSA-N 0 3 324.428 3.008 20 30 DGEDHN CN(CCCC1(C#N)CCOCC1)Cc1nc2ccccc2o1 ZINC000282035471 433472291 /nfs/dbraw/zinc/47/22/91/433472291.db2.gz QLFSLVHRLYBOGY-UHFFFAOYSA-N 0 3 313.401 3.360 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC(C)(C)C2)CC1 ZINC000454548223 433477146 /nfs/dbraw/zinc/47/71/46/433477146.db2.gz POMFKTVHMJNGNS-OAHLLOKOSA-N 0 3 307.482 3.152 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN(C3CCC3)C[C@H](C)C2)c1C#N ZINC000292241861 433520768 /nfs/dbraw/zinc/52/07/68/433520768.db2.gz JNGZAUQVBCSUAE-LBPRGKRZSA-N 0 3 318.852 3.226 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cc(C)n(C)n1)C(C)C ZINC000282169761 433520847 /nfs/dbraw/zinc/52/08/47/433520847.db2.gz MDRKEDPDUCJKTI-SJLPKXTDSA-N 0 3 304.482 3.078 20 30 DGEDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000421385207 433528961 /nfs/dbraw/zinc/52/89/61/433528961.db2.gz PYNPPBFLJXJUFG-LBPRGKRZSA-N 0 3 304.287 3.144 20 30 DGEDHN CC(=O)c1ccc(C#N)c(N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000292293159 433540114 /nfs/dbraw/zinc/54/01/14/433540114.db2.gz NGGFJKVBJOTREK-CQSZACIVSA-N 0 3 311.429 3.071 20 30 DGEDHN CCN(CC)Cc1cccc(NC(=O)c2cc(C#N)[nH]c2C)c1 ZINC000448675455 433487976 /nfs/dbraw/zinc/48/79/76/433487976.db2.gz MXVSWAVEQKDRMB-UHFFFAOYSA-N 0 3 310.401 3.289 20 30 DGEDHN C[C@@H](CC(=O)N(C)c1ccccc1)NCc1ccc(C#N)s1 ZINC000421347821 433491413 /nfs/dbraw/zinc/49/14/13/433491413.db2.gz DHNATWOSBLKUMN-ZDUSSCGKSA-N 0 3 313.426 3.151 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000421349973 433491551 /nfs/dbraw/zinc/49/15/51/433491551.db2.gz YDPVUXRTZPKVQZ-IFXJQAMLSA-N 0 3 311.404 3.478 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292375375 433560705 /nfs/dbraw/zinc/56/07/05/433560705.db2.gz YUZKOGQZMJCFQC-KBXCAEBGSA-N 0 3 318.380 3.039 20 30 DGEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000362188911 433577013 /nfs/dbraw/zinc/57/70/13/433577013.db2.gz ILMVXGXSTJROAI-SFHVURJKSA-N 0 3 314.429 3.306 20 30 DGEDHN CCN1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301495165 433578614 /nfs/dbraw/zinc/57/86/14/433578614.db2.gz ALZDPGKMNFXVAO-UHFFFAOYSA-N 0 3 314.820 3.292 20 30 DGEDHN C#Cc1ccccc1CC(=O)Nc1cc(CN(C)C)ccc1C ZINC000292612971 433584786 /nfs/dbraw/zinc/58/47/86/433584786.db2.gz UKEYEAJUBCBMKU-UHFFFAOYSA-N 0 3 306.409 3.219 20 30 DGEDHN CN(c1cccc(C#N)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301421553 433547512 /nfs/dbraw/zinc/54/75/12/433547512.db2.gz FEKWEVZBXFSZBX-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1nnc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C#N)c1C ZINC000301620418 433642710 /nfs/dbraw/zinc/64/27/10/433642710.db2.gz MMDAMCPLZGWHSR-CXAGYDPISA-N 0 3 321.428 3.040 20 30 DGEDHN C=CCC(F)(F)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000293025006 433607691 /nfs/dbraw/zinc/60/76/91/433607691.db2.gz INALHAZCFCORQW-UHFFFAOYSA-N 0 3 322.399 3.287 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc(F)c1C#N ZINC000427120748 433653505 /nfs/dbraw/zinc/65/35/05/433653505.db2.gz FABFDRHPQBCONT-AWEZNQCLSA-N 0 3 317.408 3.082 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000293199996 433654636 /nfs/dbraw/zinc/65/46/36/433654636.db2.gz BPPFWDTVSDYAOC-ZBFHGGJFSA-N 0 3 322.399 3.225 20 30 DGEDHN CN(C)CCN(Cc1cccc(F)c1)c1cccc(F)c1C#N ZINC000301663079 433660839 /nfs/dbraw/zinc/66/08/39/433660839.db2.gz VGNJNZITFHCDHK-UHFFFAOYSA-N 0 3 315.367 3.405 20 30 DGEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000362335766 433649681 /nfs/dbraw/zinc/64/96/81/433649681.db2.gz MCOGKDZNFXCICL-IFXJQAMLSA-N 0 3 324.428 3.357 20 30 DGEDHN N#Cc1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293324742 433703481 /nfs/dbraw/zinc/70/34/81/433703481.db2.gz MFOAGSQELORRNN-UHFFFAOYSA-N 0 3 306.409 3.084 20 30 DGEDHN CC(C)N1CCC[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000356806339 433708038 /nfs/dbraw/zinc/70/80/38/433708038.db2.gz LQAAOMAQEQIMAH-ZWKOTPCHSA-N 0 3 313.445 3.063 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 ZINC000362434816 433713692 /nfs/dbraw/zinc/71/36/92/433713692.db2.gz PQRBBAFKRFGRJV-KFWWJZLASA-N 0 3 306.475 3.239 20 30 DGEDHN COc1cc(OC)c(OC)cc1CNC1CCC(C)(C#N)CC1 ZINC000449060334 433716378 /nfs/dbraw/zinc/71/63/78/433716378.db2.gz CYPCBOMVYCNGCX-UHFFFAOYSA-N 0 3 318.417 3.274 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CCC3)CC2)CC1 ZINC000376322552 433716633 /nfs/dbraw/zinc/71/66/33/433716633.db2.gz MUMYKDKPUNYDJY-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Cl)s2)CC1 ZINC000283550215 433743807 /nfs/dbraw/zinc/74/38/07/433743807.db2.gz IYLNCNAPBXTHIU-UHFFFAOYSA-N 0 3 312.866 3.101 20 30 DGEDHN CC(C)[C@H](NCc1ccc(Cl)cc1C#N)C1(CO)CCC1 ZINC000339728279 433751264 /nfs/dbraw/zinc/75/12/64/433751264.db2.gz ADXXWICRNOAHPB-INIZCTEOSA-N 0 3 306.837 3.488 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000283922733 433800915 /nfs/dbraw/zinc/80/09/15/433800915.db2.gz ARECXBVCFNNROE-ZDUSSCGKSA-N 0 3 308.447 3.071 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC000421909685 433802035 /nfs/dbraw/zinc/80/20/35/433802035.db2.gz AXNXWCXZRNOLQW-WCQYABFASA-N 0 3 321.218 3.142 20 30 DGEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)cc(C)n1 ZINC000421914039 433805937 /nfs/dbraw/zinc/80/59/37/433805937.db2.gz FXCOXJINZVQJNM-GOSISDBHSA-N 0 3 307.397 3.087 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1CC(F)(F)C1)C(C)C ZINC000449802147 433812784 /nfs/dbraw/zinc/81/27/84/433812784.db2.gz JRYMGZGAIIDWJH-OAHLLOKOSA-N 0 3 314.420 3.237 20 30 DGEDHN CCC[C@@H]1CN(c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000302043976 433813306 /nfs/dbraw/zinc/81/33/06/433813306.db2.gz XHOUJHHFSJOEKG-LJQANCHMSA-N 0 3 320.440 3.444 20 30 DGEDHN CC[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978151 433833903 /nfs/dbraw/zinc/83/39/03/433833903.db2.gz NAEKYWGEDPOGAZ-QAPCUYQASA-N 0 3 311.429 3.176 20 30 DGEDHN CC(C)(C)[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344203597 433854536 /nfs/dbraw/zinc/85/45/36/433854536.db2.gz FCILQIFXXOVMIT-WBVHZDCISA-N 0 3 311.429 3.032 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2sc(CCC)nc2C)CC1 ZINC000362789234 433859498 /nfs/dbraw/zinc/85/94/98/433859498.db2.gz HZSLJAIPCZPUBQ-UHFFFAOYSA-N 0 3 322.478 3.176 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc(OC)c1O ZINC000285247619 433922260 /nfs/dbraw/zinc/92/22/60/433922260.db2.gz SSUQZGFRNAWITO-SJORKVTESA-N 0 3 317.429 3.273 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@](C)(C#N)CC ZINC000285204508 433923745 /nfs/dbraw/zinc/92/37/45/433923745.db2.gz FMUWDLIZDPNJEY-SFHVURJKSA-N 0 3 301.434 3.037 20 30 DGEDHN CC(C)CC[C@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000362954650 433923850 /nfs/dbraw/zinc/92/38/50/433923850.db2.gz MJMUYGYDACFXNS-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1CCC1CCCC1 ZINC000362950099 433925568 /nfs/dbraw/zinc/92/55/68/433925568.db2.gz XVOALZIVLGHGNL-KRWDZBQOSA-N 0 3 305.466 3.183 20 30 DGEDHN COc1ccc(CN(C)CCN(C)c2ccccc2)cc1C#N ZINC000340150014 433941650 /nfs/dbraw/zinc/94/16/50/433941650.db2.gz GXVNTQLIORSINV-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN CSc1ccc([C@@H](CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000293980891 433950355 /nfs/dbraw/zinc/95/03/55/433950355.db2.gz IKOVDIAFDBGMEP-MRXNPFEDSA-N 0 3 312.442 3.390 20 30 DGEDHN CSCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285520177 433978539 /nfs/dbraw/zinc/97/85/39/433978539.db2.gz OUXKYBLCDRZOOM-UHFFFAOYSA-N 0 3 308.422 3.294 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@H](SCC)C1 ZINC000303439023 433940822 /nfs/dbraw/zinc/94/08/22/433940822.db2.gz HAUWXAUVOPHTFL-HOTGVXAUSA-N 0 3 312.523 3.407 20 30 DGEDHN CSc1ccc([C@@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000294145922 434013770 /nfs/dbraw/zinc/01/37/70/434013770.db2.gz QSMIXOUCCAANAH-QGZVFWFLSA-N 0 3 312.442 3.390 20 30 DGEDHN CC1(C)CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000294191978 434034486 /nfs/dbraw/zinc/03/44/86/434034486.db2.gz OXWUICOVOJCACY-SJORKVTESA-N 0 3 309.413 3.183 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(C(F)(F)F)CCCC2)CC1 ZINC000416152274 434038607 /nfs/dbraw/zinc/03/86/07/434038607.db2.gz VZBQBRFXJBKZDG-UHFFFAOYSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285692762 434038803 /nfs/dbraw/zinc/03/88/03/434038803.db2.gz VLDUIOINHYQNFE-DOMZBBRYSA-N 0 3 318.244 3.334 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285692768 434039798 /nfs/dbraw/zinc/03/97/98/434039798.db2.gz VLDUIOINHYQNFE-SWLSCSKDSA-N 0 3 318.244 3.334 20 30 DGEDHN COc1cccc([C@@H](CNc2snc(C)c2C#N)N(C)C)c1 ZINC000285688493 434039870 /nfs/dbraw/zinc/03/98/70/434039870.db2.gz QMYXRNLWJSETOH-OAHLLOKOSA-N 0 3 316.430 3.047 20 30 DGEDHN CN(C)[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000416176208 434044985 /nfs/dbraw/zinc/04/49/85/434044985.db2.gz GBYSELFMXIJYFX-SFHVURJKSA-N 0 3 319.408 3.140 20 30 DGEDHN CN(C)[C@H](CC(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000416176203 434045269 /nfs/dbraw/zinc/04/52/69/434045269.db2.gz GBYSELFMXIJYFX-GOSISDBHSA-N 0 3 319.408 3.140 20 30 DGEDHN CNc1ccc(C#N)cc1NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416229472 434063618 /nfs/dbraw/zinc/06/36/18/434063618.db2.gz VKFITRURAARXAZ-SFHVURJKSA-N 0 3 322.412 3.231 20 30 DGEDHN CN(C)[C@@H](CC(=O)NCC1CCC(C#N)CC1)c1ccccc1 ZINC000416220886 434063959 /nfs/dbraw/zinc/06/39/59/434063959.db2.gz BDCJBXBLPXFEKB-HTWSVDAQSA-N 0 3 313.445 3.126 20 30 DGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000353177743 434071688 /nfs/dbraw/zinc/07/16/88/434071688.db2.gz WIJYJXUZJMYZJT-CYBMUJFWSA-N 0 3 306.369 3.164 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285761549 434059938 /nfs/dbraw/zinc/05/99/38/434059938.db2.gz ZKCBKCOGFPMBJP-WFASDCNBSA-N 0 3 312.335 3.399 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416333601 434104702 /nfs/dbraw/zinc/10/47/02/434104702.db2.gz MNTWDXIBRJBFTB-SFHVURJKSA-N 0 3 320.433 3.176 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H](C)c1ccc(CN)nc1C ZINC000422913259 434105878 /nfs/dbraw/zinc/10/58/78/434105878.db2.gz XZZBPVXAIDBJPT-AWEZNQCLSA-N 0 3 311.429 3.264 20 30 DGEDHN COCCN(CC[C@@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000285949979 434116352 /nfs/dbraw/zinc/11/63/52/434116352.db2.gz KAPLAUUMMQQGIP-HXUWFJFHSA-N 0 3 324.424 3.130 20 30 DGEDHN C=CC(C)(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000294515848 434118135 /nfs/dbraw/zinc/11/81/35/434118135.db2.gz STXJQWAHUPOOGK-UHFFFAOYSA-N 0 3 315.461 3.288 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Cl)cn1)C(C)C ZINC000346114993 434123829 /nfs/dbraw/zinc/12/38/29/434123829.db2.gz BJBIBTGFPZEPGJ-INIZCTEOSA-N 0 3 321.852 3.163 20 30 DGEDHN CCCCCN(CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000437130869 434220548 /nfs/dbraw/zinc/22/05/48/434220548.db2.gz KHSRBKYOYBHELI-UHFFFAOYSA-N 0 3 312.360 3.144 20 30 DGEDHN C[C@H](NCCN(C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346205801 434197523 /nfs/dbraw/zinc/19/75/23/434197523.db2.gz VQJAIZNIJIZJST-HNNXBMFYSA-N 0 3 311.404 3.480 20 30 DGEDHN C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(C#N)c(F)c1 ZINC000346205821 434198504 /nfs/dbraw/zinc/19/85/04/434198504.db2.gz VTAZHCDXBWBYAX-CYBMUJFWSA-N 0 3 321.359 3.129 20 30 DGEDHN C=CCC[C@@H](NCCc1cn2c(n1)SCC2)c1ccco1 ZINC000286364327 434244995 /nfs/dbraw/zinc/24/49/95/434244995.db2.gz ZWGBFEIJUILAIZ-CQSZACIVSA-N 0 3 303.431 3.421 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1cc(C)nc(C2CC2)n1)C(C)C ZINC000346670937 434258528 /nfs/dbraw/zinc/25/85/28/434258528.db2.gz LKXVBCXFPLGXIM-KRWDZBQOSA-N 0 3 314.477 3.773 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000347491702 434269840 /nfs/dbraw/zinc/26/98/40/434269840.db2.gz FZSXHMJYXDOPSC-ZANVPECISA-N 0 3 321.218 3.348 20 30 DGEDHN COc1cc(CNCc2ccccc2-n2cccn2)ccc1C#N ZINC000364353303 434270261 /nfs/dbraw/zinc/27/02/61/434270261.db2.gz MMBUMBQSJVSVAI-UHFFFAOYSA-N 0 3 318.380 3.042 20 30 DGEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000286442138 434271285 /nfs/dbraw/zinc/27/12/85/434271285.db2.gz OFSCFJHPTGFMME-YPMHNXCESA-N 0 3 324.350 3.035 20 30 DGEDHN COC(=O)C[C@H](NCc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000347971484 434278722 /nfs/dbraw/zinc/27/87/22/434278722.db2.gz XHBJEMIKIJLEEI-KRWDZBQOSA-N 0 3 318.392 3.299 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)CCCC1 ZINC000450584207 434281828 /nfs/dbraw/zinc/28/18/28/434281828.db2.gz WJURJGXSODGFJI-JKSUJKDBSA-N 0 3 322.518 3.161 20 30 DGEDHN Cc1nc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)sc1C ZINC000365239432 434290191 /nfs/dbraw/zinc/29/01/91/434290191.db2.gz FENCDFMJHRINRJ-HNNXBMFYSA-N 0 3 314.458 3.350 20 30 DGEDHN COc1cc(CN[C@H](c2ccccc2)C(C)(C)CO)ccc1C#N ZINC000348364495 434291818 /nfs/dbraw/zinc/29/18/18/434291818.db2.gz YNOSDZDZRRQYKA-LJQANCHMSA-N 0 3 324.424 3.416 20 30 DGEDHN Cc1nc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)sc1C ZINC000365239433 434292713 /nfs/dbraw/zinc/29/27/13/434292713.db2.gz FENCDFMJHRINRJ-OAHLLOKOSA-N 0 3 314.458 3.350 20 30 DGEDHN CCn1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)cn1 ZINC000328700018 434300405 /nfs/dbraw/zinc/30/04/05/434300405.db2.gz ILYSXCRWDYIZFJ-UHFFFAOYSA-N 0 3 318.465 3.254 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 ZINC000328787918 434314467 /nfs/dbraw/zinc/31/44/67/434314467.db2.gz XKAWYPBIKCEIDH-UKRRQHHQSA-N 0 3 323.400 3.003 20 30 DGEDHN CCN1CCC[C@H](NC(=O)CCc2nc3ccccc3o2)C1 ZINC000328869805 434320313 /nfs/dbraw/zinc/32/03/13/434320313.db2.gz CZTWMUDLHHDSNV-ZDUSSCGKSA-N 0 3 301.390 3.201 20 30 DGEDHN C[C@@H](C(=O)NCCc1cnc(C2CC2)nc1)N1CCCCCC1 ZINC000328865151 434321498 /nfs/dbraw/zinc/32/14/98/434321498.db2.gz NFASCEYLBMYDHK-AWEZNQCLSA-N 0 3 316.449 3.118 20 30 DGEDHN Cc1cccc(C)c1NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328917658 434328304 /nfs/dbraw/zinc/32/83/04/434328304.db2.gz RXARPUAHVNJOOK-RDTXWAMCSA-N 0 3 315.417 3.379 20 30 DGEDHN C[C@@H](NC[C@H]1COCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450715543 434363069 /nfs/dbraw/zinc/36/30/69/434363069.db2.gz IPADPZSVFWSBSV-QRWLVFNGSA-N 0 3 322.408 3.291 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2nsnc2c1 ZINC000329129164 434363637 /nfs/dbraw/zinc/36/36/37/434363637.db2.gz ZWQOFYLPDWGRET-VXGBXAGGSA-N 0 3 318.446 3.116 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390747641 434367426 /nfs/dbraw/zinc/36/74/26/434367426.db2.gz AZIFSPLUVBDTIX-QGZVFWFLSA-N 0 3 313.445 3.097 20 30 DGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cncc(F)c1 ZINC000457889273 434387828 /nfs/dbraw/zinc/38/78/28/434387828.db2.gz JSBCCWCBACTRCD-DZGCQCFKSA-N 0 3 311.360 3.170 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295406834 434348083 /nfs/dbraw/zinc/34/80/83/434348083.db2.gz BTCDODICANTNTN-GOEBONIOSA-N 0 3 313.445 3.233 20 30 DGEDHN COCCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000287398822 434352368 /nfs/dbraw/zinc/35/23/68/434352368.db2.gz JBHUIXQAPXMZLH-IAGOWNOFSA-N 0 3 302.418 3.274 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295501816 434391180 /nfs/dbraw/zinc/39/11/80/434391180.db2.gz HJYDRWHYTOAOMV-GDBMZVCRSA-N 0 3 313.445 3.233 20 30 DGEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C3CCCC3)C2)c1C#N ZINC000329625300 434447511 /nfs/dbraw/zinc/44/75/11/434447511.db2.gz GJXJXUGVHJLKDR-GFCCVEGCSA-N 0 3 304.825 3.344 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000295555925 434414758 /nfs/dbraw/zinc/41/47/58/434414758.db2.gz SOTUVHHSOAWHBC-QGZVFWFLSA-N 0 3 318.461 3.405 20 30 DGEDHN C=CCC[C@H](NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccco1 ZINC000287643634 434419554 /nfs/dbraw/zinc/41/95/54/434419554.db2.gz URMMJIJDTQRGAK-SOLBZPMBSA-N 0 3 319.445 3.444 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329536941 434427549 /nfs/dbraw/zinc/42/75/49/434427549.db2.gz BHODCAPGMFVVJT-DDUZABMNSA-N 0 3 324.428 3.264 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329536941 434427554 /nfs/dbraw/zinc/42/75/54/434427554.db2.gz BHODCAPGMFVVJT-DDUZABMNSA-N 0 3 324.428 3.264 20 30 DGEDHN Cc1ccc([O-])c(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000329751363 434470896 /nfs/dbraw/zinc/47/08/96/434470896.db2.gz IVPGULKDQXCMKW-ZDUSSCGKSA-N 0 3 303.406 3.338 20 30 DGEDHN Cc1ccc([O-])c(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000329751363 434470905 /nfs/dbraw/zinc/47/09/05/434470905.db2.gz IVPGULKDQXCMKW-ZDUSSCGKSA-N 0 3 303.406 3.338 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCC(C)(C)C#N)CC[C@H]21 ZINC000366558505 434449469 /nfs/dbraw/zinc/44/94/69/434449469.db2.gz LQJYFQXHPZVYRB-LSDHHAIUSA-N 0 3 321.465 3.258 20 30 DGEDHN CC(C)N1CCCC[C@@H]1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000450885886 434457893 /nfs/dbraw/zinc/45/78/93/434457893.db2.gz VNSNMORBAFJMMS-QRVBRYPASA-N 0 3 319.493 3.177 20 30 DGEDHN CC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000341053853 434513012 /nfs/dbraw/zinc/51/30/12/434513012.db2.gz GFFNWLLVDYBMKY-IBGZPJMESA-N 0 3 321.424 3.224 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000417973057 434560649 /nfs/dbraw/zinc/56/06/49/434560649.db2.gz CCWNYYMMTIAFOR-YOEHRIQHSA-N 0 3 303.450 3.293 20 30 DGEDHN CN1CCN(Cc2ccc(C#N)cc2F)C2(CCCCC2)C1 ZINC000353935009 434536994 /nfs/dbraw/zinc/53/69/94/434536994.db2.gz SVGGKGUSLFEDQJ-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN COC(=O)[C@]1(C(F)(F)F)CCN(CCCCC(C)(C)C#N)C1 ZINC000367146562 434541422 /nfs/dbraw/zinc/54/14/22/434541422.db2.gz WPAAHYRXCGRPNC-AWEZNQCLSA-N 0 3 320.355 3.134 20 30 DGEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000367885145 434558726 /nfs/dbraw/zinc/55/87/26/434558726.db2.gz KBCBYNPKTCEONK-GFCCVEGCSA-N 0 3 311.351 3.063 20 30 DGEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC23CCCC3)c(C#N)c1C ZINC000451459501 434568291 /nfs/dbraw/zinc/56/82/91/434568291.db2.gz QLKYHJZKPKAYJM-WFASDCNBSA-N 0 3 315.417 3.408 20 30 DGEDHN C=CCC[C@@H](N[C@H]1CCCc2cn(CCOC)nc21)C1CC1 ZINC000368189650 434568496 /nfs/dbraw/zinc/56/84/96/434568496.db2.gz RBQATAAJIKQAJZ-SJORKVTESA-N 0 3 303.450 3.241 20 30 DGEDHN COc1cc(CN[C@@H](C)[C@@H]2COc3ccccc32)ccc1C#N ZINC000368516861 434577090 /nfs/dbraw/zinc/57/70/90/434577090.db2.gz DWZANTNRHNHKQD-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN CC(C)(CCC#N)CN1CCCN(c2ncccc2F)CC1 ZINC000369052926 434588950 /nfs/dbraw/zinc/58/89/50/434588950.db2.gz WJRAPIVXMVOKCO-UHFFFAOYSA-N 0 3 304.413 3.063 20 30 DGEDHN Cc1ccc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)s1 ZINC000424067909 434613920 /nfs/dbraw/zinc/61/39/20/434613920.db2.gz QIJLKMXMDUUVGE-SNVBAGLBSA-N 0 3 320.443 3.140 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000424092065 434619936 /nfs/dbraw/zinc/61/99/36/434619936.db2.gz PHOSRCLMPSGQGV-HUUCEWRRSA-N 0 3 305.809 3.025 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000424102281 434623506 /nfs/dbraw/zinc/62/35/06/434623506.db2.gz AUERDTQYLWLFPL-LBPRGKRZSA-N 0 3 314.414 3.133 20 30 DGEDHN CC(C)COc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424105401 434624880 /nfs/dbraw/zinc/62/48/80/434624880.db2.gz WAZVDXLKWWAORC-CQSZACIVSA-N 0 3 323.824 3.334 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000424111356 434625776 /nfs/dbraw/zinc/62/57/76/434625776.db2.gz GFXQUPCWIFWLKF-LJQANCHMSA-N 0 3 319.408 3.217 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(F)cc2)C(C)(C)C)C1=O ZINC000410425898 434645395 /nfs/dbraw/zinc/64/53/95/434645395.db2.gz LVIWPAGBRCUWOV-HOTGVXAUSA-N 0 3 304.409 3.289 20 30 DGEDHN CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424116187 434627305 /nfs/dbraw/zinc/62/73/05/434627305.db2.gz XBDQIHCVORPVEG-CZUORRHYSA-N 0 3 319.474 3.385 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000424118669 434628999 /nfs/dbraw/zinc/62/89/99/434628999.db2.gz CBQBBIQIKYQHSH-VMWRSERWSA-N 0 3 313.445 3.098 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000418321776 434629962 /nfs/dbraw/zinc/62/99/62/434629962.db2.gz CQEBMZPZCPKVFE-QGZVFWFLSA-N 0 3 301.434 3.170 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000424128693 434630019 /nfs/dbraw/zinc/63/00/19/434630019.db2.gz WYDBVLLFAJYUDC-IRXDYDNUSA-N 0 3 317.408 3.194 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000424144615 434635776 /nfs/dbraw/zinc/63/57/76/434635776.db2.gz SNAIYFATCWGBDS-HOTGVXAUSA-N 0 3 319.836 3.319 20 30 DGEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424171910 434644687 /nfs/dbraw/zinc/64/46/87/434644687.db2.gz MLUOJEKZSKOLPX-QWHCGFSZSA-N 0 3 322.478 3.116 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@H]2SC)cc1 ZINC000459536788 434600035 /nfs/dbraw/zinc/60/00/35/434600035.db2.gz BXFXYPOTCHTCPG-IKGGRYGDSA-N 0 3 307.459 3.250 20 30 DGEDHN C=C(C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000452722984 434692138 /nfs/dbraw/zinc/69/21/38/434692138.db2.gz LUVNFOANBSWDBK-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN Cn1cc(-c2ccccc2CNCc2ccc(C#N)s2)cn1 ZINC000371175054 434648678 /nfs/dbraw/zinc/64/86/78/434648678.db2.gz ZPQDUJGUOPMEJI-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCC12CCN(C)CC2)c1ccccc1 ZINC000371315892 434667897 /nfs/dbraw/zinc/66/78/97/434667897.db2.gz XWIPXUSWURDLPS-KRWDZBQOSA-N 0 3 312.457 3.433 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](CC(C)C)OC ZINC000419200134 434749048 /nfs/dbraw/zinc/74/90/48/434749048.db2.gz WLWDXSGQEHUKCX-SFHVURJKSA-N 0 3 304.434 3.068 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000452798909 434717814 /nfs/dbraw/zinc/71/78/14/434717814.db2.gz XNTQBUUNSURPFB-YJBOKZPZSA-N 0 3 320.392 3.268 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1nnc(C(F)F)s1)C(C)C ZINC000360880467 434718801 /nfs/dbraw/zinc/71/88/01/434718801.db2.gz WLWCKDAHFXUKQE-LLVKDONJSA-N 0 3 316.421 3.586 20 30 DGEDHN C=CCN1CCC(Nc2ncc(F)c(-c3ccsc3)n2)CC1 ZINC000418872507 434722885 /nfs/dbraw/zinc/72/28/85/434722885.db2.gz WRXMROFQOAQCEC-UHFFFAOYSA-N 0 3 318.421 3.407 20 30 DGEDHN COc1cc(CN[C@H]2CCCO[C@H]2CC(C)C)ccc1C#N ZINC000440634213 434727768 /nfs/dbraw/zinc/72/77/68/434727768.db2.gz HHXXMYWKBOTSKU-WMZOPIPTSA-N 0 3 302.418 3.250 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H]2CC(C)(C)CCc3ccccc32)C1=O ZINC000440649885 434730263 /nfs/dbraw/zinc/73/02/63/434730263.db2.gz SWEOPUAAPJWBMK-ZWKOTPCHSA-N 0 3 312.457 3.467 20 30 DGEDHN COc1cc(CN[C@@H](C)COc2cccc(F)c2)ccc1C#N ZINC000440803413 434744248 /nfs/dbraw/zinc/74/42/48/434744248.db2.gz ASQZPIISDSEMMK-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN CC[C@@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)[C@@H]1CC1(C)C ZINC000419314659 434770033 /nfs/dbraw/zinc/77/00/33/434770033.db2.gz IFKMPCDGXZMTLF-UONOGXRCSA-N 0 3 303.406 3.121 20 30 DGEDHN C[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000443649862 434780351 /nfs/dbraw/zinc/78/03/51/434780351.db2.gz HQQKYDAABSXDFE-CVEARBPZSA-N 0 3 305.466 3.039 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]2c2ccncc2)c1 ZINC000411405713 434777100 /nfs/dbraw/zinc/77/71/00/434777100.db2.gz ADIOVNNBBKAJQK-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN C=CCC[C@H](NCC(=O)NCC)c1ccc(C(F)(F)F)cc1 ZINC000411485845 434789154 /nfs/dbraw/zinc/78/91/54/434789154.db2.gz RWNPBSRSJJTFCX-AWEZNQCLSA-N 0 3 314.351 3.438 20 30 DGEDHN COCCOc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OC ZINC000411446089 434782634 /nfs/dbraw/zinc/78/26/34/434782634.db2.gz HZVFTCDTXLRPFM-ZIAGYGMSSA-N 0 3 306.406 3.063 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCCC1(C)C ZINC000445128149 434790771 /nfs/dbraw/zinc/79/07/71/434790771.db2.gz DXYMBPDCEPGHJP-XHSDSOJGSA-N 0 3 307.482 3.245 20 30 DGEDHN CC(=O)N[C@@H](C)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411548531 434798296 /nfs/dbraw/zinc/79/82/96/434798296.db2.gz DZDYMESSERTDOX-HNNXBMFYSA-N 0 3 305.466 3.087 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000424826895 434812098 /nfs/dbraw/zinc/81/20/98/434812098.db2.gz LVFOIWVIAPMOCR-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(SC)cc1 ZINC000411655992 434813551 /nfs/dbraw/zinc/81/35/51/434813551.db2.gz OJPLCIIWJSJWPX-HUUCEWRRSA-N 0 3 307.459 3.189 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2ccccc2F)o1 ZINC000411639917 434813580 /nfs/dbraw/zinc/81/35/80/434813580.db2.gz JUNDRNCRXPMGFO-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)Nc1cccc(C#N)c1 ZINC000445892727 434835636 /nfs/dbraw/zinc/83/56/36/434835636.db2.gz DUGICTAFJVPNBG-CYBMUJFWSA-N 0 3 313.323 3.063 20 30 DGEDHN CC[C@@H](COCC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000453251875 434840841 /nfs/dbraw/zinc/84/08/41/434840841.db2.gz FSINUFQGLWXKGG-DZGCQCFKSA-N 0 3 312.335 3.493 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC(C)(C)C[C@@H]1C ZINC000412038237 434858716 /nfs/dbraw/zinc/85/87/16/434858716.db2.gz ITTPRZUMGQGYOE-HOTGVXAUSA-N 0 3 313.445 3.442 20 30 DGEDHN CCCC[C@@H](CC)CN1CCN(c2cnccc2C#N)CC1 ZINC000521249652 434875806 /nfs/dbraw/zinc/87/58/06/434875806.db2.gz HNWBTUMHQREPQA-MRXNPFEDSA-N 0 3 300.450 3.292 20 30 DGEDHN CC1(C)CN(Cc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000573401047 434895643 /nfs/dbraw/zinc/89/56/43/434895643.db2.gz PSANFTAOCQIFFY-UHFFFAOYSA-N 0 3 320.440 3.050 20 30 DGEDHN CC#CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000553704099 434898987 /nfs/dbraw/zinc/89/89/87/434898987.db2.gz UOQUWVJNGQAQTC-INIZCTEOSA-N 0 3 321.852 3.045 20 30 DGEDHN CCC(CC)(CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000553876218 434906322 /nfs/dbraw/zinc/90/63/22/434906322.db2.gz TVQJBWXWGWTHRP-INIZCTEOSA-N 0 3 302.418 3.080 20 30 DGEDHN C=CC1CCN(CC(=O)NCCc2ccc(C(C)C)cc2)CC1 ZINC000522081549 434911511 /nfs/dbraw/zinc/91/15/11/434911511.db2.gz LUNOIVYQSDZLGE-UHFFFAOYSA-N 0 3 314.473 3.367 20 30 DGEDHN C[C@H](C(=O)N(CCN(C)C)c1ccccc1)c1cccc(C#N)c1 ZINC000463597239 434966068 /nfs/dbraw/zinc/96/60/68/434966068.db2.gz AGNMHLSYNKRFOP-INIZCTEOSA-N 0 3 321.424 3.257 20 30 DGEDHN C=CC[C@@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000522645295 434927340 /nfs/dbraw/zinc/92/73/40/434927340.db2.gz MXULPEFEUNKPDU-SJORKVTESA-N 0 3 314.473 3.410 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000528146398 435020882 /nfs/dbraw/zinc/02/08/82/435020882.db2.gz KZEKRLXHSMNPRH-WBVHZDCISA-N 0 3 313.445 3.268 20 30 DGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000556760112 435023047 /nfs/dbraw/zinc/02/30/47/435023047.db2.gz RWOOWEIADGHYAF-RTBURBONSA-N 0 3 312.461 3.176 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000465262522 435023228 /nfs/dbraw/zinc/02/32/28/435023228.db2.gz LVMACNDJDAUZDG-GJZGRUSLSA-N 0 3 302.418 3.373 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)nc21 ZINC000528952440 435031317 /nfs/dbraw/zinc/03/13/17/435031317.db2.gz AHEAWYOKJGRJRQ-BAYHKCFCSA-N 0 3 311.385 3.107 20 30 DGEDHN CC(C)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000556190381 434999795 /nfs/dbraw/zinc/99/97/95/434999795.db2.gz RFLSWCSAHFAFLM-QGZVFWFLSA-N 0 3 305.385 3.088 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000525636639 435006937 /nfs/dbraw/zinc/00/69/37/435006937.db2.gz GBZYECIUONRWDN-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000527298937 435012160 /nfs/dbraw/zinc/01/21/60/435012160.db2.gz FZAFJXWEAJTPEF-HZPDHXFCSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000466393635 435074848 /nfs/dbraw/zinc/07/48/48/435074848.db2.gz ZMZDZVXBRLLDGB-KRWDZBQOSA-N 0 3 321.440 3.254 20 30 DGEDHN COc1ccccc1C[C@@H](NCc1ccc(C#N)cn1)C(C)C ZINC000558245952 435082277 /nfs/dbraw/zinc/08/22/77/435082277.db2.gz MBZFOIWRLDSPAO-GOSISDBHSA-N 0 3 309.413 3.319 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000529751532 435039977 /nfs/dbraw/zinc/03/99/77/435039977.db2.gz KJOOBLGLTGWBCJ-BQBZGAKWSA-N 0 3 317.133 3.064 20 30 DGEDHN COc1cccc(C[C@H]2CCCCCN2C(=O)C(C)C#N)c1 ZINC000529963700 435041783 /nfs/dbraw/zinc/04/17/83/435041783.db2.gz YEAGDKYTKMIQOC-GOEBONIOSA-N 0 3 300.402 3.169 20 30 DGEDHN C=CCOc1ccc(C(=O)N2CCCc3cccc(CN)c32)cc1 ZINC000638544995 435049671 /nfs/dbraw/zinc/04/96/71/435049671.db2.gz NIQOJDMYYLLBQT-UHFFFAOYSA-N 0 3 322.408 3.303 20 30 DGEDHN C[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C#N)cc1Cl ZINC000578829462 435111919 /nfs/dbraw/zinc/11/19/19/435111919.db2.gz RRGHQFHUYCKGNK-OCCSQVGLSA-N 0 3 318.804 3.306 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)C1(C#N)CC(C)C1)c1ccccc1 ZINC000531808212 435120978 /nfs/dbraw/zinc/12/09/78/435120978.db2.gz WGJMQGHITRRURC-XAUUPUKJSA-N 0 3 313.445 3.172 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2OC)C12CCCC2 ZINC000580010499 435199334 /nfs/dbraw/zinc/19/93/34/435199334.db2.gz GAJVUASYKCMUOQ-MSOLQXFVSA-N 0 3 314.429 3.394 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(CCCC#N)C2)C1 ZINC000495659793 435203176 /nfs/dbraw/zinc/20/31/76/435203176.db2.gz VHLNWRAOXZBSGH-QGZVFWFLSA-N 0 3 307.438 3.013 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)c(O)cc1Cl ZINC000639149035 435175103 /nfs/dbraw/zinc/17/51/03/435175103.db2.gz VZFTWPJRDFNVAL-BZNIZROVSA-N 0 3 311.809 3.125 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(C)cc1)C(C)C ZINC000495966807 435208530 /nfs/dbraw/zinc/20/85/30/435208530.db2.gz SDEVGELULBHHNH-IBGZPJMESA-N 0 3 314.473 3.352 20 30 DGEDHN CC1CCN([C@H](CNC[C@@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000561303787 435210425 /nfs/dbraw/zinc/21/04/25/435210425.db2.gz ASZIQYWLZCNTGI-UYAOXDASSA-N 0 3 324.472 3.493 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000496680421 435241278 /nfs/dbraw/zinc/24/12/78/435241278.db2.gz AITQZCSPMJPKQN-AWEZNQCLSA-N 0 3 309.454 3.305 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000580512494 435236811 /nfs/dbraw/zinc/23/68/11/435236811.db2.gz QLKRPHHKCXLKFG-GOEBONIOSA-N 0 3 320.396 3.116 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@H](OCc3ccccn3)C2)c1 ZINC000639338784 435251988 /nfs/dbraw/zinc/25/19/88/435251988.db2.gz CEZNJBWUEAUGGU-FQEVSTJZSA-N 0 3 324.424 3.438 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc(NC(=O)OC)c2)cc1 ZINC000496742888 435248026 /nfs/dbraw/zinc/24/80/26/435248026.db2.gz SOOLIQUKDXTFSZ-UHFFFAOYSA-N 0 3 324.380 3.167 20 30 DGEDHN N#CC1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000562384615 435258595 /nfs/dbraw/zinc/25/85/95/435258595.db2.gz XGPOTEIHKQDIRS-UHFFFAOYSA-N 0 3 303.837 3.198 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cncnc1C)C(C)C ZINC000563416013 435267779 /nfs/dbraw/zinc/26/77/79/435267779.db2.gz FHNWZZUPXMRWET-YJBOKZPZSA-N 0 3 302.466 3.134 20 30 DGEDHN Cc1cccc2c1OC[C@H](N[C@@H]1CCc3ccc(C#N)cc31)C2 ZINC000584045842 435269047 /nfs/dbraw/zinc/26/90/47/435269047.db2.gz IPOVEXCEVUICHL-IEBWSBKVSA-N 0 3 304.393 3.447 20 30 DGEDHN Cc1cccc2c1OC[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)C2 ZINC000584045844 435269094 /nfs/dbraw/zinc/26/90/94/435269094.db2.gz IPOVEXCEVUICHL-PKOBYXMFSA-N 0 3 304.393 3.447 20 30 DGEDHN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CCC#N)CC1 ZINC000564990508 435275099 /nfs/dbraw/zinc/27/50/99/435275099.db2.gz JIKUFQCRTAEQHW-UHFFFAOYSA-N 0 3 323.444 3.400 20 30 DGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000567323069 435307226 /nfs/dbraw/zinc/30/72/26/435307226.db2.gz MYAHNNPEHUBPLC-APWZRJJASA-N 0 3 317.477 3.087 20 30 DGEDHN CC(C#N)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000533990894 435263286 /nfs/dbraw/zinc/26/32/86/435263286.db2.gz FBPNDPWTGFYUPG-SNVBAGLBSA-N 0 3 319.817 3.282 20 30 DGEDHN Cc1ccc(NC(=O)CCN[C@H](CCC#N)c2ccccc2)nc1 ZINC000567578867 435331347 /nfs/dbraw/zinc/33/13/47/435331347.db2.gz APYSCOGDCLIGGL-QGZVFWFLSA-N 0 3 322.412 3.353 20 30 DGEDHN C[C@H]1[C@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000536697732 435406124 /nfs/dbraw/zinc/40/61/24/435406124.db2.gz GIADHLROBKDWEL-KBPBESRZSA-N 0 3 310.363 3.081 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CC=CCC1)C(C)C ZINC000514073778 435409807 /nfs/dbraw/zinc/40/98/07/435409807.db2.gz CLHBXKLZRRANRA-ZWKOTPCHSA-N 0 3 319.493 3.341 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C2CCC2)C1)C(C)C ZINC000480512272 435382384 /nfs/dbraw/zinc/38/23/84/435382384.db2.gz BBGIEWJYMZIHDM-SFHVURJKSA-N 0 3 319.493 3.127 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000537059252 435424795 /nfs/dbraw/zinc/42/47/95/435424795.db2.gz XDLWVPBQOSDWOZ-LJQANCHMSA-N 0 3 300.446 3.482 20 30 DGEDHN COC(=O)c1oc([C@H](C)N2CCC(CCC#N)CC2)cc1C ZINC000568979768 435489512 /nfs/dbraw/zinc/48/95/12/435489512.db2.gz OVLZZWCRIKUIKL-ZDUSSCGKSA-N 0 3 304.390 3.451 20 30 DGEDHN C=CCOc1cccc(CNCc2cccc(C(=O)OC)c2)c1 ZINC000515556000 435493082 /nfs/dbraw/zinc/49/30/82/435493082.db2.gz DKYOYYRITNSWAI-UHFFFAOYSA-N 0 3 311.381 3.328 20 30 DGEDHN C=CCCC(C)(C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637660747 435495538 /nfs/dbraw/zinc/49/55/38/435495538.db2.gz GAGXKOCFQCBDKP-UHFFFAOYSA-N 0 3 319.453 3.016 20 30 DGEDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000538408492 435497103 /nfs/dbraw/zinc/49/71/03/435497103.db2.gz XUGXLPMUWFZTEF-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN CCC[C@@H]1CN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000539392849 435551151 /nfs/dbraw/zinc/55/11/51/435551151.db2.gz HPIPHOGSGJKIAC-LJQANCHMSA-N 0 3 320.440 3.444 20 30 DGEDHN CCCC1CCC(N(C)CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000484880193 435556695 /nfs/dbraw/zinc/55/66/95/435556695.db2.gz XEKJSXTXTFKYER-KLAILNCOSA-N 0 3 307.482 3.285 20 30 DGEDHN COc1ccc(C[C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000569738419 435556837 /nfs/dbraw/zinc/55/68/37/435556837.db2.gz PAWQNPLVJQXRJK-KRWDZBQOSA-N 0 3 321.424 3.417 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000649357172 435568455 /nfs/dbraw/zinc/56/84/55/435568455.db2.gz PHCMMJOUNDUKKO-ZFWWWQNUSA-N 0 3 302.443 3.413 20 30 DGEDHN C=C[C@@H](CC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000649357491 435569285 /nfs/dbraw/zinc/56/92/85/435569285.db2.gz LTTVDXBAODQYQS-INIZCTEOSA-N 0 3 306.409 3.266 20 30 DGEDHN N#Cc1ccc(OCCNCc2cc3ccc(F)cc3[nH]2)cc1 ZINC000486704099 435611847 /nfs/dbraw/zinc/61/18/47/435611847.db2.gz UNUXXNDEYKBMOE-UHFFFAOYSA-N 0 3 309.344 3.347 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000517773223 435613090 /nfs/dbraw/zinc/61/30/90/435613090.db2.gz WECCPTSGNXKOMB-SJLPKXTDSA-N 0 3 313.445 3.033 20 30 DGEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486811348 435615629 /nfs/dbraw/zinc/61/56/29/435615629.db2.gz TYEDAKQYVMZXQD-CVEARBPZSA-N 0 3 305.466 3.230 20 30 DGEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1)c1ccc(C)c(C)c1 ZINC000540776760 435616095 /nfs/dbraw/zinc/61/60/95/435616095.db2.gz DDUBZTLIJOOBRF-HXUWFJFHSA-N 0 3 322.452 3.479 20 30 DGEDHN C=C(C)CN(CC)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000517875934 435616362 /nfs/dbraw/zinc/61/63/62/435616362.db2.gz HLVQBCIRJUMHPA-CQSZACIVSA-N 0 3 317.351 3.343 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C#N ZINC000488736648 435641888 /nfs/dbraw/zinc/64/18/88/435641888.db2.gz VKVCWQNGBIHJQK-BFQNTYOBSA-N 0 3 318.852 3.082 20 30 DGEDHN Cc1ccccc1[C@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000570843798 435655690 /nfs/dbraw/zinc/65/56/90/435655690.db2.gz UDKGOQGEKLOSKE-GOSISDBHSA-N 0 3 317.396 3.247 20 30 DGEDHN CC(C)CN(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000520170274 435725816 /nfs/dbraw/zinc/72/58/16/435725816.db2.gz JTHRFDIJEGLZCH-IBGZPJMESA-N 0 3 315.461 3.199 20 30 DGEDHN Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3=O)nc(C)n1 ZINC000645954651 435727300 /nfs/dbraw/zinc/72/73/00/435727300.db2.gz WKWQSUKFESDDPD-INIZCTEOSA-N 0 3 319.364 3.103 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)CCCC3=O)nc(C)n1 ZINC000645954651 435727303 /nfs/dbraw/zinc/72/73/03/435727303.db2.gz WKWQSUKFESDDPD-INIZCTEOSA-N 0 3 319.364 3.103 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](O)COc1cccc(C)c1 ZINC000491394251 435739742 /nfs/dbraw/zinc/73/97/42/435739742.db2.gz GVYLLMBLPULNKO-KRWDZBQOSA-N 0 3 315.413 3.058 20 30 DGEDHN C=CCN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccco1 ZINC000491394640 435740786 /nfs/dbraw/zinc/74/07/86/435740786.db2.gz HIYFINDXECVOBC-UHFFFAOYSA-N 0 3 316.357 3.297 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@]2(C)Cc2ccccc2F)C1=O ZINC000646010055 435741296 /nfs/dbraw/zinc/74/12/96/435741296.db2.gz MQOUMEQPPFUJSW-PKOBYXMFSA-N 0 3 316.420 3.010 20 30 DGEDHN COCCN(CCOc1cccc(C#N)c1)CCc1ccccc1 ZINC000519918024 435717706 /nfs/dbraw/zinc/71/77/06/435717706.db2.gz WXDIIINSERXQCC-UHFFFAOYSA-N 0 3 324.424 3.128 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2CCc3ccccc3NC2=O)c1 ZINC000655813817 435820012 /nfs/dbraw/zinc/82/00/12/435820012.db2.gz IENTWDDFAJAQMR-IBGZPJMESA-N 0 3 322.408 3.295 20 30 DGEDHN C=CC[C@@H]1CC[C@H](Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000651815367 435834658 /nfs/dbraw/zinc/83/46/58/435834658.db2.gz MZDXTOLZCHMWMS-MNEFBYGVSA-N 0 3 300.446 3.410 20 30 DGEDHN C=CC[C@@H]1CC[C@H](NCc2ccncc2OC[C@H]2CCOC2)C1 ZINC000651813002 435836451 /nfs/dbraw/zinc/83/64/51/435836451.db2.gz SSTATBCOHQJLBW-RYRKJORJSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC=C)CC1 ZINC000660707448 435867358 /nfs/dbraw/zinc/86/73/58/435867358.db2.gz PAXFBXKRDFZZGZ-WBVHZDCISA-N 0 3 305.466 3.071 20 30 DGEDHN C=CCCCCN1CCN(CCOc2cccc(OC)c2)CC1 ZINC000572949495 435885012 /nfs/dbraw/zinc/88/50/12/435885012.db2.gz SNDDMSMTTHKERK-UHFFFAOYSA-N 0 3 318.461 3.048 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000665389147 435966784 /nfs/dbraw/zinc/96/67/84/435966784.db2.gz CDZNGTSKXNHXTB-KBAYOESNSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000661009599 435943813 /nfs/dbraw/zinc/94/38/13/435943813.db2.gz KPVIVONNYKFLQB-DJIMGWMZSA-N 0 3 305.466 3.071 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(SC)c2)CC1 ZINC000650542553 435945683 /nfs/dbraw/zinc/94/56/83/435945683.db2.gz KTOPFJRUUVRMOT-UHFFFAOYSA-N 0 3 319.474 3.489 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000661367364 436043604 /nfs/dbraw/zinc/04/36/04/436043604.db2.gz IHTQZAVIQQRDKB-BRWVUGGUSA-N 0 3 305.466 3.001 20 30 DGEDHN C=C(C)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000653055320 436101651 /nfs/dbraw/zinc/10/16/51/436101651.db2.gz PKLHGFQEFDLVDC-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCCC1(CNC(=O)N(C)CC2CCN(C)CC2)CCCC1 ZINC000661531051 436102684 /nfs/dbraw/zinc/10/26/84/436102684.db2.gz GZYKTQNDNYKKDF-UHFFFAOYSA-N 0 3 321.509 3.496 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000661507319 436092973 /nfs/dbraw/zinc/09/29/73/436092973.db2.gz KTYJBKBMYRBTEV-AWEZNQCLSA-N 0 3 321.490 3.319 20 30 DGEDHN C=CCN(CC(=O)NCCCOC1CCCCC1)C(C)(C)C ZINC000661756420 436178932 /nfs/dbraw/zinc/17/89/32/436178932.db2.gz OFVLRSOVBPAPEZ-UHFFFAOYSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCC1(C(=O)N2CCN(c3ccncc3)CC2)CCCCC1 ZINC000648097086 436212118 /nfs/dbraw/zinc/21/21/18/436212118.db2.gz ZOGVPERTZVCONP-UHFFFAOYSA-N 0 3 313.445 3.257 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@H]2CCCCO2)CC1 ZINC000661870562 436218462 /nfs/dbraw/zinc/21/84/62/436218462.db2.gz JSKFPOGLJZRLSO-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)c1ccccc1OC ZINC000662079102 436265898 /nfs/dbraw/zinc/26/58/98/436265898.db2.gz KGFOPXWAQSESLY-OAGGEKHMSA-N 0 3 314.429 3.055 20 30 DGEDHN C=CCc1cc(CNC[C@H]2CCC[C@H](C)O2)cc(OC)c1O ZINC000657663096 436271357 /nfs/dbraw/zinc/27/13/57/436271357.db2.gz DSJLEUKPTAYBRH-XJKSGUPXSA-N 0 3 305.418 3.177 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000667028801 436327301 /nfs/dbraw/zinc/32/73/01/436327301.db2.gz GHINNSXADOTJIS-MRXNPFEDSA-N 0 3 301.434 3.411 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)Cc2ccc3c(c2)CCCC3)nn1 ZINC000658038499 436357838 /nfs/dbraw/zinc/35/78/38/436357838.db2.gz QANVGPNVAAVLDY-HNNXBMFYSA-N 0 3 310.445 3.064 20 30 DGEDHN C=C(CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000654563674 436434119 /nfs/dbraw/zinc/43/41/19/436434119.db2.gz OMDSTJKYPFWNRK-QZTJIDSGSA-N 0 3 313.445 3.016 20 30 DGEDHN C=CCCC(C)(C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000663421315 436457687 /nfs/dbraw/zinc/45/76/87/436457687.db2.gz ZEUWGBXQXHQUOS-INIZCTEOSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654730112 436459418 /nfs/dbraw/zinc/45/94/18/436459418.db2.gz ZOTRBZDSEMVXHJ-IAGOWNOFSA-N 0 3 307.482 3.391 20 30 DGEDHN C=CCCCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042781 436460991 /nfs/dbraw/zinc/46/09/91/436460991.db2.gz VAWJDZUBAAJRED-KRWDZBQOSA-N 0 3 317.433 3.215 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)F)cc2F)CC1 ZINC000654747834 436462879 /nfs/dbraw/zinc/46/28/79/436462879.db2.gz NSRIJEODXXEVMR-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659262063 436483891 /nfs/dbraw/zinc/48/38/91/436483891.db2.gz HUPOYHALVJEFAZ-IBGZPJMESA-N 0 3 306.409 3.436 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659280217 436488404 /nfs/dbraw/zinc/48/84/04/436488404.db2.gz IXLGYOVUMMLZTG-SFHVURJKSA-N 0 3 322.408 3.102 20 30 DGEDHN C=CCCC1(CNC(=O)[C@H](CN)c2ccccc2)CCCC1 ZINC000659335297 436496115 /nfs/dbraw/zinc/49/61/15/436496115.db2.gz YABRIYOLCLTAFZ-QGZVFWFLSA-N 0 3 300.446 3.372 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(CN(C)C)c1 ZINC000660324711 436623298 /nfs/dbraw/zinc/62/32/98/436623298.db2.gz NJGYGEMOOTVYGL-HDICACEKSA-N 0 3 313.445 3.141 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000660339978 436624815 /nfs/dbraw/zinc/62/48/15/436624815.db2.gz LGMXBPMOZIPYMO-LUKYLMHMSA-N 0 3 305.466 3.142 20 30 DGEDHN C=C(C)[C@H](NC[C@H](OC)[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000660312057 436621607 /nfs/dbraw/zinc/62/16/07/436621607.db2.gz NRPUZKTUNRZHIS-COXVUDFISA-N 0 3 311.372 3.223 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)NCc1cccc(C#N)c1 ZINC000546935125 314337861 /nfs/dbraw/zinc/33/78/61/314337861.db2.gz KHIDBPIXEGOBRP-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1COc3cc(F)ccc3C1)CC2 ZINC000563445184 315116806 /nfs/dbraw/zinc/11/68/06/315116806.db2.gz ZERVUPAWQPFCIM-WMZOPIPTSA-N 0 3 308.356 3.278 20 30 DGEDHN N#Cc1cnn2cc(CNC3(c4ccccc4)CCCC3)cnc12 ZINC000566245555 315325574 /nfs/dbraw/zinc/32/55/74/315325574.db2.gz NQENXZGRUIIDGW-UHFFFAOYSA-N 0 3 317.396 3.160 20 30 DGEDHN N#Cc1cncc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000566733687 315370657 /nfs/dbraw/zinc/37/06/57/315370657.db2.gz DRVRDYBASLOKGF-MRXNPFEDSA-N 0 3 310.426 3.105 20 30 DGEDHN C[C@@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CO1 ZINC000567165889 315401198 /nfs/dbraw/zinc/40/11/98/315401198.db2.gz AVPQFSPIXYICFM-BEFAXECRSA-N 0 3 322.408 3.404 20 30 DGEDHN Cc1csc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1C#N ZINC000577073599 316200240 /nfs/dbraw/zinc/20/02/40/316200240.db2.gz WAFUFGHZLLWJTN-CYBMUJFWSA-N 0 3 318.446 3.020 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)oc1C ZINC000577294189 316222352 /nfs/dbraw/zinc/22/23/52/316222352.db2.gz MBHNSMOKIKOCQX-UHFFFAOYSA-N 0 3 312.373 3.129 20 30 DGEDHN Cc1sc(NC(=O)CN(CC2CC2)C2CCC2)c(C#N)c1C ZINC000578065690 316299752 /nfs/dbraw/zinc/29/97/52/316299752.db2.gz XKOMKUBJGXKXIG-UHFFFAOYSA-N 0 3 317.458 3.440 20 30 DGEDHN COc1ccc([C@@H](CCO)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181911995 323274603 /nfs/dbraw/zinc/27/46/03/323274603.db2.gz DJPJVUZLIYHGKG-AUUYWEPGSA-N 0 3 310.397 3.341 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)c1 ZINC000182876981 323314825 /nfs/dbraw/zinc/31/48/25/323314825.db2.gz SDRJSDYRPRJIOG-HNNXBMFYSA-N 0 3 307.397 3.464 20 30 DGEDHN COC(=O)c1cccc(CN(CC2CC2)CC2CCC2)c1C#N ZINC000581859505 324160634 /nfs/dbraw/zinc/16/06/34/324160634.db2.gz MHAODSWGZZGRQU-UHFFFAOYSA-N 0 3 312.413 3.357 20 30 DGEDHN Cc1ccc2c(c1)[C@@H](NCc1cnc3c(C#N)cnn3c1)CCC2 ZINC000583813084 324399816 /nfs/dbraw/zinc/39/98/16/324399816.db2.gz RVKWVNOWUISTKI-SFHVURJKSA-N 0 3 317.396 3.077 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(F)cccc1F)C(C)C ZINC000047633812 331588436 /nfs/dbraw/zinc/58/84/36/331588436.db2.gz STTMYNVYCWWXRT-MRXNPFEDSA-N 0 3 322.399 3.393 20 30 DGEDHN Cc1ccccc1C1(CNC[C@H](C#N)CCC#N)CCOCC1 ZINC000556856229 331741363 /nfs/dbraw/zinc/74/13/63/331741363.db2.gz ULYMCXKIFXWLCF-KRWDZBQOSA-N 0 3 311.429 3.076 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000518410395 332028536 /nfs/dbraw/zinc/02/85/36/332028536.db2.gz QCIOTPQNLLZWOJ-FUHWJXTLSA-N 0 3 313.445 3.206 20 30 DGEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000538216668 332244944 /nfs/dbraw/zinc/24/49/44/332244944.db2.gz NJTVYWVQZNZPHK-TXPKVOOTSA-N 0 3 315.461 3.397 20 30 DGEDHN CC#CCN(C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000559458304 332261298 /nfs/dbraw/zinc/26/12/98/332261298.db2.gz AQSZSRHZZHEVET-MRXNPFEDSA-N 0 3 306.409 3.111 20 30 DGEDHN N#CCCOCCS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564962116 332305456 /nfs/dbraw/zinc/30/54/56/332305456.db2.gz CSAREONVONDDTP-KRWDZBQOSA-N 0 3 304.459 3.314 20 30 DGEDHN COCCOc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000564990878 332385790 /nfs/dbraw/zinc/38/57/90/332385790.db2.gz OODBLTJUWKPHBO-UHFFFAOYSA-N 0 3 302.418 3.228 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000562568793 332605650 /nfs/dbraw/zinc/60/56/50/332605650.db2.gz AJIJMDYNTSQMGF-HNNXBMFYSA-N 0 3 317.481 3.042 20 30 DGEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCC1 ZINC000526056931 333107828 /nfs/dbraw/zinc/10/78/28/333107828.db2.gz QYFHEIZKEDAZDW-PBHICJAKSA-N 0 3 311.429 3.068 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000182215725 333204828 /nfs/dbraw/zinc/20/48/28/333204828.db2.gz JQFVOROHAATDHV-AWEZNQCLSA-N 0 3 307.463 3.103 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2C)C(C)(C)C)C1=O ZINC000499611302 333287821 /nfs/dbraw/zinc/28/78/21/333287821.db2.gz NTKRQOOGRPXGEG-SJORKVTESA-N 0 3 300.446 3.459 20 30 DGEDHN C=C(CNC(=O)NCCN1CCCC[C@H]1CC)c1ccccc1 ZINC000497818755 333296318 /nfs/dbraw/zinc/29/63/18/333296318.db2.gz WWYVSWNKOMXDBJ-GOSISDBHSA-N 0 3 315.461 3.264 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000188220976 333361242 /nfs/dbraw/zinc/36/12/42/333361242.db2.gz NKHVQRUGAAZAKG-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOCCCCC(F)(F)F)cc1 ZINC000269851992 334004537 /nfs/dbraw/zinc/00/45/37/334004537.db2.gz PQRXOUPIFWVELM-UHFFFAOYSA-N 0 3 317.355 3.118 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC(C)(C)C2)CC1 ZINC000526098642 336091109 /nfs/dbraw/zinc/09/11/09/336091109.db2.gz IQZHAJFMFKQGKE-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000526135387 336230525 /nfs/dbraw/zinc/23/05/25/336230525.db2.gz SQLKXQGMEUAWRY-QGZVFWFLSA-N 0 3 313.445 3.234 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncccc2C(=O)OC(C)C)CC1 ZINC000302218600 336354634 /nfs/dbraw/zinc/35/46/34/336354634.db2.gz LDEUFVOPINTWHR-UHFFFAOYSA-N 0 3 317.433 3.099 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2ccnc3ccccc32)CC1 ZINC000514611900 336386163 /nfs/dbraw/zinc/38/61/63/336386163.db2.gz NSWDUNVXKIZTSW-OAHLLOKOSA-N 0 3 323.440 3.105 20 30 DGEDHN CN(C)C1(CN(C)C(=O)C[C@H](CC#N)c2ccccc2)CCC1 ZINC000356976492 336568092 /nfs/dbraw/zinc/56/80/92/336568092.db2.gz QHWZEAHNVUSBMT-KRWDZBQOSA-N 0 3 313.445 3.017 20 30 DGEDHN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000007018751 336896999 /nfs/dbraw/zinc/89/69/99/336896999.db2.gz DJGKPMRPEVLFHB-JLTOFOAXSA-N 0 3 321.424 3.299 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](OC)CC2)cc1OC ZINC000378630223 337077088 /nfs/dbraw/zinc/07/70/88/337077088.db2.gz FMJBJRVMIYGANZ-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000584470137 337345094 /nfs/dbraw/zinc/34/50/94/337345094.db2.gz MYTXCMCVWHZTNU-AWEZNQCLSA-N 0 3 305.385 3.069 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)C1CC1 ZINC000537856869 337963549 /nfs/dbraw/zinc/96/35/49/337963549.db2.gz IPCSJJYIIOYCQN-MRXNPFEDSA-N 0 3 321.490 3.491 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000516579201 340066190 /nfs/dbraw/zinc/06/61/90/340066190.db2.gz MCKSSKGFOVHKNW-SJLPKXTDSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2ccccc2)CC1 ZINC000502011901 340092874 /nfs/dbraw/zinc/09/28/74/340092874.db2.gz XHKJIRHQTMLZJR-KRWDZBQOSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000502163942 340096106 /nfs/dbraw/zinc/09/61/06/340096106.db2.gz DRFTUBRYCXRGKQ-WMZOPIPTSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1CCCC1)C(C)C ZINC000503406862 340127512 /nfs/dbraw/zinc/12/75/12/340127512.db2.gz NXOBSWNOSHZZCZ-KRWDZBQOSA-N 0 3 307.482 3.174 20 30 DGEDHN C=CCN(CC=C)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000505908120 340181321 /nfs/dbraw/zinc/18/13/21/340181321.db2.gz UGKGIIYOLDWKME-UHFFFAOYSA-N 0 3 315.369 3.402 20 30 DGEDHN CCOC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000506516278 340196090 /nfs/dbraw/zinc/19/60/90/340196090.db2.gz MHTYTUALXKEURL-QGZVFWFLSA-N 0 3 314.429 3.224 20 30 DGEDHN COCCN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000507172724 340211193 /nfs/dbraw/zinc/21/11/93/340211193.db2.gz HLYQVHSTZGMBOZ-UHFFFAOYSA-N 0 3 324.428 3.075 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000507235412 340215142 /nfs/dbraw/zinc/21/51/42/340215142.db2.gz ZZNNXLJPOIJHQO-KGLIPLIRSA-N 0 3 314.433 3.027 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC1CCCCC1 ZINC000507648878 340227214 /nfs/dbraw/zinc/22/72/14/340227214.db2.gz DTZLAPNETRJVOU-CRAIPNDOSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000300814133 340241284 /nfs/dbraw/zinc/24/12/84/340241284.db2.gz HRGFRQPLQBLQBS-LBPRGKRZSA-N 0 3 302.846 3.364 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1ccc2c(c1)nnn2C ZINC000512039863 340346398 /nfs/dbraw/zinc/34/63/98/340346398.db2.gz YXHXPIZYDYACEX-UHFFFAOYSA-N 0 3 306.413 3.199 20 30 DGEDHN C[C@H]1CSC[C@@H]1NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000512192725 340351718 /nfs/dbraw/zinc/35/17/18/340351718.db2.gz BNEJQEFKHLKNSE-FZMZJTMJSA-N 0 3 315.360 3.278 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CCCC[C@@H]2C)CC1 ZINC000512636288 340370349 /nfs/dbraw/zinc/37/03/49/340370349.db2.gz KXJKBJMBTQEATP-JKSUJKDBSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC=CCC1)C(C)C ZINC000522998746 340613012 /nfs/dbraw/zinc/61/30/12/340613012.db2.gz GXKFLNDIIQDKSA-IAGOWNOFSA-N 0 3 305.466 3.093 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C(C)(C)C)C1 ZINC000542319597 341004674 /nfs/dbraw/zinc/00/46/74/341004674.db2.gz JGVNDSWRGQCNTM-GJZGRUSLSA-N 0 3 305.466 3.086 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(C2CC2)c1 ZINC000543059025 341029680 /nfs/dbraw/zinc/02/96/80/341029680.db2.gz MNQHCUAUYMLGRQ-AWEZNQCLSA-N 0 3 316.364 3.336 20 30 DGEDHN CC(C)(C#N)CCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000547346091 341207555 /nfs/dbraw/zinc/20/75/55/341207555.db2.gz UFYJHYXBOGDMEJ-AWEZNQCLSA-N 0 3 306.372 3.342 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000546931330 341187135 /nfs/dbraw/zinc/18/71/35/341187135.db2.gz PJKXKIZSLDQAJQ-TXPKVOOTSA-N 0 3 315.461 3.397 20 30 DGEDHN CCCCN(C)CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000133917580 341199571 /nfs/dbraw/zinc/19/95/71/341199571.db2.gz WITCTFAOYXXILX-KRWDZBQOSA-N 0 3 316.449 3.063 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)c2cccc(Cl)c2)C1=O ZINC000547406561 341211595 /nfs/dbraw/zinc/21/15/95/341211595.db2.gz OTLSWOGZYLBVMP-XJKSGUPXSA-N 0 3 306.837 3.162 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCC1CC1 ZINC000135312022 341236597 /nfs/dbraw/zinc/23/65/97/341236597.db2.gz AFJUENZWQHNPHE-SWKXRBFHSA-N 0 3 305.466 3.038 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NCCN1CCC(C)CC1 ZINC000079267999 341256142 /nfs/dbraw/zinc/25/61/42/341256142.db2.gz IOJRWBILAQDJNJ-UHFFFAOYSA-N 0 3 321.490 3.178 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000548604740 341266949 /nfs/dbraw/zinc/26/69/49/341266949.db2.gz YEMCAKPKBFHHME-CQSZACIVSA-N 0 3 304.459 3.036 20 30 DGEDHN N#CCCN(C(=O)CN1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000247457932 341365212 /nfs/dbraw/zinc/36/52/12/341365212.db2.gz ICEPUTVDLKFFOQ-SJLPKXTDSA-N 0 3 311.429 3.198 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000249535494 341399004 /nfs/dbraw/zinc/39/90/04/341399004.db2.gz CHZAQRGZMZZGIR-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CC[C@@H](C(=O)NCCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000249579324 341399510 /nfs/dbraw/zinc/39/95/10/341399510.db2.gz QLBAWNWCWHFUER-SJLPKXTDSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1cc(C)cs1 ZINC000565828703 341539443 /nfs/dbraw/zinc/53/94/43/341539443.db2.gz DZKSGPWXNCMZES-INIZCTEOSA-N 0 3 317.454 3.315 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000330906256 533718817 /nfs/dbraw/zinc/71/88/17/533718817.db2.gz ZWBNBXGTELRCGO-CQSZACIVSA-N 0 3 314.433 3.074 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000574605689 341763545 /nfs/dbraw/zinc/76/35/45/341763545.db2.gz AHNAOXUIXVSQMY-LPHOPBHVSA-N 0 3 317.477 3.087 20 30 DGEDHN COc1cc(CN2CCC(CCC#N)CC2)cc(OC)c1OC ZINC000575748395 341802368 /nfs/dbraw/zinc/80/23/68/341802368.db2.gz KHKQPRFETYTIAO-UHFFFAOYSA-N 0 3 318.417 3.228 20 30 DGEDHN CSC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000347355584 533726929 /nfs/dbraw/zinc/72/69/29/533726929.db2.gz BVMSKUKZAPKIDW-SJORKVTESA-N 0 3 316.470 3.361 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000432292555 533732760 /nfs/dbraw/zinc/73/27/60/533732760.db2.gz WOCUSHSNXWAODU-KGLIPLIRSA-N 0 3 314.433 3.251 20 30 DGEDHN COc1cccc([C@H](CNc2c(C#N)cccc2C#N)N(C)C)c1 ZINC000302447612 533782440 /nfs/dbraw/zinc/78/24/40/533782440.db2.gz OICLIJKCWCURDT-SFHVURJKSA-N 0 3 320.396 3.153 20 30 DGEDHN CSC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000347355581 533803004 /nfs/dbraw/zinc/80/30/04/533803004.db2.gz BVMSKUKZAPKIDW-DLBZAZTESA-N 0 3 316.470 3.361 20 30 DGEDHN C[C@H](NCCOCCC#N)c1cccc(OC(F)(F)F)c1 ZINC000339076788 533859803 /nfs/dbraw/zinc/85/98/03/533859803.db2.gz FBSUYSANCBTBMY-NSHDSACASA-N 0 3 302.296 3.166 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncc(C#N)cc2F)C1 ZINC000413071965 534110931 /nfs/dbraw/zinc/11/09/31/534110931.db2.gz MJNDJBSDVRUESS-XJKSGUPXSA-N 0 3 310.376 3.340 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CC=CCC1)C(C)C ZINC000514073776 517334271 /nfs/dbraw/zinc/33/42/71/517334271.db2.gz CLHBXKLZRRANRA-QZTJIDSGSA-N 0 3 319.493 3.341 20 30 DGEDHN CC(C#N)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000358694384 534283522 /nfs/dbraw/zinc/28/35/22/534283522.db2.gz QHLAQVDIAWEGIR-SNVBAGLBSA-N 0 3 311.366 3.332 20 30 DGEDHN CC(C#N)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000348728353 534284169 /nfs/dbraw/zinc/28/41/69/534284169.db2.gz KQXNOVCTDZXGFY-MLGOLLRUSA-N 0 3 313.788 3.295 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](OCC)[C@@H](C)C2)cc(OC)c1O ZINC000449503012 534414280 /nfs/dbraw/zinc/41/42/80/534414280.db2.gz XFZALPFAGMYDHC-YOEHRIQHSA-N 0 3 319.445 3.376 20 30 DGEDHN CC1CCN(c2ccc(CNCc3cc(C#N)n(C)c3)cc2)CC1 ZINC000190986697 521040893 /nfs/dbraw/zinc/04/08/93/521040893.db2.gz OAWBXGHIZOCYIP-UHFFFAOYSA-N 0 3 322.456 3.423 20 30 DGEDHN Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CC=CCC2)c(C#N)c1C ZINC000330813464 534548516 /nfs/dbraw/zinc/54/85/16/534548516.db2.gz CKKICCFWXJSPDK-ZFWWWQNUSA-N 0 3 315.417 3.383 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1Cl ZINC000489432787 534559578 /nfs/dbraw/zinc/55/95/78/534559578.db2.gz RDUBDKWNXBLPMJ-HZPDHXFCSA-N 0 3 309.837 3.258 20 30 DGEDHN N#CCC[C@@H](NC1CCN(CC(F)F)CC1)c1ccccc1 ZINC000342802589 534656893 /nfs/dbraw/zinc/65/68/93/534656893.db2.gz OBGFPNJWZTYENW-MRXNPFEDSA-N 0 3 307.388 3.351 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472946932 534685488 /nfs/dbraw/zinc/68/54/88/534685488.db2.gz BFQJNJFWEWWBRI-WMZOPIPTSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000472844337 534685582 /nfs/dbraw/zinc/68/55/82/534685582.db2.gz APMNNIMLCCWALA-FUHWJXTLSA-N 0 3 315.461 3.305 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494176608 534689912 /nfs/dbraw/zinc/68/99/12/534689912.db2.gz QNVABGVMNHFRFX-MSOLQXFVSA-N 0 3 313.445 3.011 20 30 DGEDHN Cc1cnccc1OC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000352355050 534711844 /nfs/dbraw/zinc/71/18/44/534711844.db2.gz ASTBKGUTDIUZGX-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN COc1ccc([C@H](CNc2ccc(C#N)nc2)N2CCCC2)cc1 ZINC000267446804 525360484 /nfs/dbraw/zinc/36/04/84/525360484.db2.gz ZXNYSVVVGVPTNL-IBGZPJMESA-N 0 3 322.412 3.211 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000494419871 534891332 /nfs/dbraw/zinc/89/13/32/534891332.db2.gz XCNNBNVZCSWVPT-CQSZACIVSA-N 0 3 309.454 3.163 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000179991230 526397145 /nfs/dbraw/zinc/39/71/45/526397145.db2.gz RIBKRILLLRVMKN-UHFFFAOYSA-N 0 3 309.454 3.259 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ncc(C(C)(C)C)s2)CC1 ZINC000331251883 526413695 /nfs/dbraw/zinc/41/36/95/526413695.db2.gz PVBUASSJLFAXGV-UHFFFAOYSA-N 0 3 322.478 3.417 20 30 DGEDHN C=CCN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916553 526415490 /nfs/dbraw/zinc/41/54/90/526415490.db2.gz QTDDSRQKPDLSDZ-UHFFFAOYSA-N 0 3 323.234 3.286 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C2CCC(C)(C)CC2)CC1 ZINC000176267569 526423172 /nfs/dbraw/zinc/42/31/72/526423172.db2.gz VJLDXLAPWZLTBA-UHFFFAOYSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000357819181 526442877 /nfs/dbraw/zinc/44/28/77/526442877.db2.gz KWIJTNWLNGNLKK-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000171721558 526443218 /nfs/dbraw/zinc/44/32/18/526443218.db2.gz IRDIAAWUVGJTPR-JKSUJKDBSA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000171717478 526444728 /nfs/dbraw/zinc/44/47/28/526444728.db2.gz AGABCFHWFAWRTM-SJORKVTESA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2C(C)(C)C)CC1 ZINC000433744691 526449340 /nfs/dbraw/zinc/44/93/40/526449340.db2.gz LYTMWCTXNPTXEV-UHFFFAOYSA-N 0 3 300.446 3.364 20 30 DGEDHN C=CCN1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413126680 526454718 /nfs/dbraw/zinc/45/47/18/526454718.db2.gz KPTUMMCVOQGTLN-UHFFFAOYSA-N 0 3 310.323 3.034 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@H](c3ccc(F)cc3)CC2)C1=O ZINC000337176728 526478362 /nfs/dbraw/zinc/47/83/62/526478362.db2.gz JCSUSNQDZBRQQF-MAUKXSAKSA-N 0 3 316.420 3.182 20 30 DGEDHN C=C(C)CN(CCCCn1ccnc1C)Cc1ccc(CO)o1 ZINC000352799222 526550766 /nfs/dbraw/zinc/55/07/66/526550766.db2.gz FXADBDDIAILAKC-UHFFFAOYSA-N 0 3 317.433 3.135 20 30 DGEDHN C=C(C)CN(CCCc1ccncc1)Cc1ccc(CO)o1 ZINC000352802888 526551745 /nfs/dbraw/zinc/55/17/45/526551745.db2.gz WXKZUYTWVMWQHC-UHFFFAOYSA-N 0 3 300.402 3.178 20 30 DGEDHN C=C(C)CN(CCN1CCCCC1)Cc1cnn(C(C)C)c1 ZINC000352901782 526553258 /nfs/dbraw/zinc/55/32/58/526553258.db2.gz KWGJAZZYZFWHLC-UHFFFAOYSA-N 0 3 304.482 3.328 20 30 DGEDHN C=C(C)CN(CCc1scnc1C)Cc1ccc(CO)o1 ZINC000352798498 526553765 /nfs/dbraw/zinc/55/37/65/526553765.db2.gz KPZIIBIEXRYOLM-UHFFFAOYSA-N 0 3 306.431 3.158 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2OC)CC1 ZINC000171585788 526594920 /nfs/dbraw/zinc/59/49/20/526594920.db2.gz RNEXBGNFISEAID-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCc3sccc32)CC1 ZINC000129707341 526598772 /nfs/dbraw/zinc/59/87/72/526598772.db2.gz QMLFONLGIFYODP-INIZCTEOSA-N 0 3 318.486 3.325 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3ncccc3c2)CC1 ZINC000106034153 526600601 /nfs/dbraw/zinc/60/06/01/526600601.db2.gz URGYRELQMNWJJV-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCC([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184707414 526601511 /nfs/dbraw/zinc/60/15/11/526601511.db2.gz CPGYJNJZCPZBFZ-UHFFFAOYSA-N 0 3 324.852 3.184 20 30 DGEDHN C=C(C)COCCN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000358283218 526656541 /nfs/dbraw/zinc/65/65/41/526656541.db2.gz DAENWBQKKAVKHB-HNNXBMFYSA-N 0 3 319.449 3.460 20 30 DGEDHN C=CCOCCCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000347960161 526754725 /nfs/dbraw/zinc/75/47/25/526754725.db2.gz FGDJSANVZAZJGW-INIZCTEOSA-N 0 3 305.418 3.433 20 30 DGEDHN C=CCOCCCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000348040934 526756045 /nfs/dbraw/zinc/75/60/45/526756045.db2.gz FCJBXTKFGDSYNK-INIZCTEOSA-N 0 3 306.425 3.097 20 30 DGEDHN C=CCOCCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000339032032 526768910 /nfs/dbraw/zinc/76/89/10/526768910.db2.gz ZWFOEUKTIHFMGE-UHFFFAOYSA-N 0 3 314.404 3.468 20 30 DGEDHN C=CCOCCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000338992636 526769007 /nfs/dbraw/zinc/76/90/07/526769007.db2.gz RRKPYANZBYJXKB-UHFFFAOYSA-N 0 3 318.244 3.380 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000435742761 526781525 /nfs/dbraw/zinc/78/15/25/526781525.db2.gz OMJZULZBDOVUCQ-CJNGLKHVSA-N 0 3 307.821 3.346 20 30 DGEDHN C=CCOCc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000346224261 526816880 /nfs/dbraw/zinc/81/68/80/526816880.db2.gz WRTFDUIVDKRRBA-UHFFFAOYSA-N 0 3 313.401 3.425 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000181091673 526862204 /nfs/dbraw/zinc/86/22/04/526862204.db2.gz QUSGTIPMHMUNLF-SJORKVTESA-N 0 3 319.445 3.243 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1Cl ZINC000346344323 526872936 /nfs/dbraw/zinc/87/29/36/526872936.db2.gz WHNCQFWMYHTVMB-SQWLQELKSA-N 0 3 307.821 3.108 20 30 DGEDHN C=C(CN[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000353503075 526883336 /nfs/dbraw/zinc/88/33/36/526883336.db2.gz OBYGXNTWTCICOX-AWEZNQCLSA-N 0 3 308.381 3.382 20 30 DGEDHN C=CCOc1ccc(CNC2(CC(=O)OC)CCC2)cc1Cl ZINC000347628212 526883884 /nfs/dbraw/zinc/88/38/84/526883884.db2.gz HYVZRZQTWNQTNE-UHFFFAOYSA-N 0 3 323.820 3.480 20 30 DGEDHN C=C(Cl)CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000364844520 526890132 /nfs/dbraw/zinc/89/01/32/526890132.db2.gz QSHULAIDCIVPIJ-UHFFFAOYSA-N 0 3 313.228 3.287 20 30 DGEDHN C=CCOc1cccc(CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000354025433 526898551 /nfs/dbraw/zinc/89/85/51/526898551.db2.gz DJHRLDIMXIAFKI-LJQANCHMSA-N 0 3 317.429 3.021 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000354025936 526900500 /nfs/dbraw/zinc/90/05/00/526900500.db2.gz LBZVRKUKATUZAZ-LJQANCHMSA-N 0 3 310.397 3.300 20 30 DGEDHN C=CC(C)(C)CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415979331 526953372 /nfs/dbraw/zinc/95/33/72/526953372.db2.gz ZZXNMKMVWYICEA-UHFFFAOYSA-N 0 3 315.339 3.498 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000432552742 527009872 /nfs/dbraw/zinc/00/98/72/527009872.db2.gz FPNVDGKGWZOEQI-KRWDZBQOSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000343656234 527032663 /nfs/dbraw/zinc/03/26/63/527032663.db2.gz AAJSDFIQKPSWDF-UHFFFAOYSA-N 0 3 316.449 3.165 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000341885417 527083273 /nfs/dbraw/zinc/08/32/73/527083273.db2.gz XCAYKUSSGZPAPI-NWDGAFQWSA-N 0 3 307.825 3.062 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176323131 527099826 /nfs/dbraw/zinc/09/98/26/527099826.db2.gz PQRBWLRSORLNTD-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180558178 527115651 /nfs/dbraw/zinc/11/56/51/527115651.db2.gz UGQHYFURWRYPRE-INIZCTEOSA-N 0 3 320.392 3.452 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](C)c1ncc(C)s1 ZINC000184347540 527128116 /nfs/dbraw/zinc/12/81/16/527128116.db2.gz SFDWHGCSDIRGBP-CYBMUJFWSA-N 0 3 300.427 3.357 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000342080807 527130333 /nfs/dbraw/zinc/13/03/33/527130333.db2.gz BLQSRSUJNUYRGV-YJBOKZPZSA-N 0 3 315.461 3.087 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000347628185 527152772 /nfs/dbraw/zinc/15/27/72/527152772.db2.gz WDYFZHPASMIPRI-SFHVURJKSA-N 0 3 315.461 3.089 20 30 DGEDHN C=CCCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000351694253 527156652 /nfs/dbraw/zinc/15/66/52/527156652.db2.gz RXQCNRSJINWKPG-SFHVURJKSA-N 0 3 315.461 3.307 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)c(OCC)c(OC)c1 ZINC000341324866 527186276 /nfs/dbraw/zinc/18/62/76/527186276.db2.gz TUOLZNGFDRSMOF-LBPRGKRZSA-N 0 3 313.825 3.022 20 30 DGEDHN CC(=O)c1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1O ZINC000331238982 527221856 /nfs/dbraw/zinc/22/18/56/527221856.db2.gz OCDXXMVXFBYEKD-CHWSQXEVSA-N 0 3 318.417 3.020 20 30 DGEDHN C=CCc1cc(CN2C[C@@H](C)N(CC)C[C@H]2C)cc(OC)c1O ZINC000353801449 527239641 /nfs/dbraw/zinc/23/96/41/527239641.db2.gz FQQCNJCIKKOSDU-HUUCEWRRSA-N 0 3 318.461 3.044 20 30 DGEDHN C=CCc1cc(CNC[C@@H](C)C(F)(F)F)cc(OC)c1O ZINC000359132674 527241799 /nfs/dbraw/zinc/24/17/99/527241799.db2.gz VZNULPWJCKXBJD-SNVBAGLBSA-N 0 3 303.324 3.417 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC)c(OCc2cccnc2)c1)C(C)C ZINC000289358255 527291020 /nfs/dbraw/zinc/29/10/20/527291020.db2.gz JYVYLRFMVJYFFZ-GOSISDBHSA-N 0 3 324.424 3.417 20 30 DGEDHN C=CCCN(C)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000342731123 527323659 /nfs/dbraw/zinc/32/36/59/527323659.db2.gz BBWVSEARRQSJSQ-OAHLLOKOSA-N 0 3 324.371 3.291 20 30 DGEDHN C=C[C@@H](CO)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000352453942 527440893 /nfs/dbraw/zinc/44/08/93/527440893.db2.gz QPAACLKDFLHLQV-KRWDZBQOSA-N 0 3 301.361 3.041 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000342121353 527456936 /nfs/dbraw/zinc/45/69/36/527456936.db2.gz DRCKVWZPQVTRIX-UXHICEINSA-N 0 3 314.473 3.318 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000444664290 527461295 /nfs/dbraw/zinc/46/12/95/527461295.db2.gz NHGZDEFZWVMSJA-STQMWFEESA-N 0 3 306.372 3.484 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000435101001 527479555 /nfs/dbraw/zinc/47/95/55/527479555.db2.gz MCTCPCATZMXZCA-SZMVWBNQSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](NC1CCN(C(=O)C2CC2)CC1)c1ccco1 ZINC000353462921 527482899 /nfs/dbraw/zinc/48/28/99/527482899.db2.gz QATPCCKPICXSOG-INIZCTEOSA-N 0 3 302.418 3.278 20 30 DGEDHN C=CCC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000180039384 527483030 /nfs/dbraw/zinc/48/30/30/527483030.db2.gz KWJQRSCMSMBZFK-HKUYNNGSSA-N 0 3 313.445 3.338 20 30 DGEDHN C=CCC[C@H](NC[C@H](C(C)C)N1CCOCC1)c1ccco1 ZINC000353453622 527484875 /nfs/dbraw/zinc/48/48/75/527484875.db2.gz FPCTVMVMLPPNFL-DLBZAZTESA-N 0 3 306.450 3.233 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000429709756 527575362 /nfs/dbraw/zinc/57/53/62/527575362.db2.gz RVUUJDHABHSKKX-AWEZNQCLSA-N 0 3 323.868 3.107 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000344086269 527606826 /nfs/dbraw/zinc/60/68/26/527606826.db2.gz GAUOXWHFFBROHN-LJQANCHMSA-N 0 3 315.461 3.359 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)nsc1C)C(C)C ZINC000340300599 527646542 /nfs/dbraw/zinc/64/65/42/527646542.db2.gz IUWGMPNZZZVSPP-HNNXBMFYSA-N 0 3 321.490 3.188 20 30 DGEDHN CC(C)CCN(CCC#N)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879361 527712656 /nfs/dbraw/zinc/71/26/56/527712656.db2.gz AZFADXMRXYZTJT-UHFFFAOYSA-N 0 3 314.433 3.126 20 30 DGEDHN CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000357826529 527778207 /nfs/dbraw/zinc/77/82/07/527778207.db2.gz LUWTUYZVYOOEQO-SJLPKXTDSA-N 0 3 313.445 3.049 20 30 DGEDHN CC(C)[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000444755779 527780302 /nfs/dbraw/zinc/78/03/02/527780302.db2.gz YSLSFHJDBOJQCA-FUHWJXTLSA-N 0 3 311.429 3.032 20 30 DGEDHN CC1=CCC[C@@H](C)[C@H]1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000443405711 528106472 /nfs/dbraw/zinc/10/64/72/528106472.db2.gz KQWXUDSSJRIQDN-AEFFLSMTSA-N 0 3 310.445 3.068 20 30 DGEDHN CCC[C@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000181680408 528217228 /nfs/dbraw/zinc/21/72/28/528217228.db2.gz VVBJFLNEVPRUDO-INIZCTEOSA-N 0 3 323.387 3.158 20 30 DGEDHN CCOC(=O)c1oc2c(c1C)[C@H](NCC1(CC#N)CC1)CCC2 ZINC000430738288 528391738 /nfs/dbraw/zinc/39/17/38/528391738.db2.gz APUIEZBHULHNPM-CYBMUJFWSA-N 0 3 316.401 3.426 20 30 DGEDHN CCN(CCCC#N)CCOc1ccc(Br)cc1 ZINC000129718989 528431391 /nfs/dbraw/zinc/43/13/91/528431391.db2.gz WHDOQKJRTDNHQS-UHFFFAOYSA-N 0 3 311.223 3.454 20 30 DGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000347121066 528542982 /nfs/dbraw/zinc/54/29/82/528542982.db2.gz YKKVZLUUPYBHLE-LSDHHAIUSA-N 0 3 324.428 3.483 20 30 DGEDHN CCC1(CC)[C@H](NCc2cc(C#N)ccc2OC)C[C@H]1OC ZINC000429308082 529108774 /nfs/dbraw/zinc/10/87/74/529108774.db2.gz QKXUAFAKGGDSTA-IAGOWNOFSA-N 0 3 302.418 3.250 20 30 DGEDHN CC1(C)C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C(C)(C)O1 ZINC000331195111 529138506 /nfs/dbraw/zinc/13/85/06/529138506.db2.gz NCYICAAEVABPRE-HZPDHXFCSA-N 0 3 314.429 3.221 20 30 DGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000346663497 529181555 /nfs/dbraw/zinc/18/15/55/529181555.db2.gz GEMORKXWJFHUFO-SJLPKXTDSA-N 0 3 315.461 3.468 20 30 DGEDHN CC[C@H](C)N[C@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413276152 529183070 /nfs/dbraw/zinc/18/30/70/529183070.db2.gz CEYSEYLWOMXFMQ-SMDDNHRTSA-N 0 3 302.353 3.227 20 30 DGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000413403156 529288664 /nfs/dbraw/zinc/28/86/64/529288664.db2.gz NCZDPLATLCTHRA-CVEARBPZSA-N 0 3 301.434 3.005 20 30 DGEDHN CC[C@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000183752037 529295328 /nfs/dbraw/zinc/29/53/28/529295328.db2.gz XNZZKNZXHSAGQY-OALUTQOASA-N 0 3 310.445 3.026 20 30 DGEDHN CC[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279438964 529298327 /nfs/dbraw/zinc/29/83/27/529298327.db2.gz REXDLYYLPOQMMG-MRXNPFEDSA-N 0 3 323.444 3.481 20 30 DGEDHN CC[C@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348460396 529315820 /nfs/dbraw/zinc/31/58/20/529315820.db2.gz GYSLMFQMOCZDPF-UONOGXRCSA-N 0 3 323.318 3.088 20 30 DGEDHN CN(CCC(C)(C)C#N)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496463262 536313905 /nfs/dbraw/zinc/31/39/05/536313905.db2.gz VGVCSPNCZBGGKI-UHFFFAOYSA-N 0 3 309.454 3.305 20 30 DGEDHN C=CCN1CCC(NCc2cscc2Br)CC1 ZINC000286348551 546403138 /nfs/dbraw/zinc/40/31/38/546403138.db2.gz FLXTWWXKLQJZRS-UHFFFAOYSA-N 0 3 315.280 3.251 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(F)c2)C(C)(C)C)C1=O ZINC000499613204 546940474 /nfs/dbraw/zinc/94/04/74/546940474.db2.gz VVAUVQRVXPOION-CVEARBPZSA-N 0 3 304.409 3.289 20 30 DGEDHN C=CCNC(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1 ZINC000667611911 547241366 /nfs/dbraw/zinc/24/13/66/547241366.db2.gz HFBRYVCDICVEGV-UHFFFAOYSA-N 0 3 316.430 3.198 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(F)ccn1)C(C)C ZINC000667647024 547255480 /nfs/dbraw/zinc/25/54/80/547255480.db2.gz JBLWJKMBBCFPLF-OAHLLOKOSA-N 0 3 320.412 3.041 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000668370413 547446575 /nfs/dbraw/zinc/44/65/75/547446575.db2.gz WZISCYXDSFIFRX-IAGOWNOFSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@H]3COC[C@H]3C2)ccc1OC ZINC000668707050 547514991 /nfs/dbraw/zinc/51/49/91/547514991.db2.gz XAZOAJNTYNETCK-IAGOWNOFSA-N 0 3 317.429 3.118 20 30 DGEDHN COCC#CCN1CCC(c2ccc(Br)cc2)CC1 ZINC000669695167 547673291 /nfs/dbraw/zinc/67/32/91/547673291.db2.gz PXLCUEAQLSXAGW-UHFFFAOYSA-N 0 3 322.246 3.278 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673235110 547949823 /nfs/dbraw/zinc/94/98/23/547949823.db2.gz KXOVIOPMPJTSDR-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000676421149 548360871 /nfs/dbraw/zinc/36/08/71/548360871.db2.gz YZFFROZKINOEQI-IRXDYDNUSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCC[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000676421147 548361582 /nfs/dbraw/zinc/36/15/82/548361582.db2.gz YZFFROZKINOEQI-DLBZAZTESA-N 0 3 301.434 3.087 20 30 DGEDHN CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000677195380 548468718 /nfs/dbraw/zinc/46/87/18/548468718.db2.gz RVQXZUGZMNGHCR-CQSZACIVSA-N 0 3 310.363 3.083 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000677479529 548506046 /nfs/dbraw/zinc/50/60/46/548506046.db2.gz OOSVBVZIGVXPGT-CQSZACIVSA-N 0 3 302.393 3.278 20 30 DGEDHN COCC#CCN(Cc1ccc(Br)cc1)C(C)C ZINC000677818448 548560846 /nfs/dbraw/zinc/56/08/46/548560846.db2.gz NYVHGXCWNJSGDF-UHFFFAOYSA-N 0 3 310.235 3.309 20 30 DGEDHN C=CCOc1cccc(CN2CCC(NC(=O)CCC)CC2)c1 ZINC000678182099 548634002 /nfs/dbraw/zinc/63/40/02/548634002.db2.gz OBNRDECMZSYBPP-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741965 548755932 /nfs/dbraw/zinc/75/59/32/548755932.db2.gz HUJPJTIIXZPLTK-HNAYVOBHSA-N 0 3 312.413 3.248 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000680135255 549002745 /nfs/dbraw/zinc/00/27/45/549002745.db2.gz WAHFDKPXJLPZNA-UHFFFAOYSA-N 0 3 309.369 3.123 20 30 DGEDHN C=CCOc1ccccc1CN1CCC([C@H]2CCOC2)CC1 ZINC000680333184 549030746 /nfs/dbraw/zinc/03/07/46/549030746.db2.gz KDHAOFRVDGNNJH-SFHVURJKSA-N 0 3 301.430 3.500 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CCC(OC)CC1)C(C)C ZINC000681994984 549274057 /nfs/dbraw/zinc/27/40/57/549274057.db2.gz RAMSDKHRRDLQAI-ABHNRTSZSA-N 0 3 322.493 3.006 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000682383432 549312767 /nfs/dbraw/zinc/31/27/67/549312767.db2.gz ZRCOXCMDBQLZHK-PKOBYXMFSA-N 0 3 300.446 3.322 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685621779 549781779 /nfs/dbraw/zinc/78/17/79/549781779.db2.gz DCCVSVNVAUFKBI-WFASDCNBSA-N 0 3 315.335 3.482 20 30 DGEDHN CC(C)OCCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421634 574529288 /nfs/dbraw/zinc/52/92/88/574529288.db2.gz MXLMNGBKWQBYHL-NSHDSACASA-N 0 3 306.362 3.427 20 30 DGEDHN CCC(CC)[C@H](O)C/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000731938252 574563092 /nfs/dbraw/zinc/56/30/92/574563092.db2.gz SKYFSYWDTOIMCY-GEBKJHSDSA-N 0 3 306.450 3.454 20 30 DGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@@H](c4ccco4)C3)n2)cc1 ZINC000732181751 574567452 /nfs/dbraw/zinc/56/74/52/574567452.db2.gz LPZVXULLDDJYGU-QGZVFWFLSA-N 0 3 318.380 3.462 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707604 574579358 /nfs/dbraw/zinc/57/93/58/574579358.db2.gz BBXDCLGGCCOOJE-WHWKNOJMSA-N 0 3 306.365 3.394 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CCSCC2)cc1 ZINC000733052810 574593127 /nfs/dbraw/zinc/59/31/27/574593127.db2.gz GMRCODXBWCVQMR-HNNXBMFYSA-N 0 3 316.426 3.040 20 30 DGEDHN C#CCOc1ccc(CNC[C@H](c2ccsc2)N(C)C)cc1 ZINC000733322984 574615481 /nfs/dbraw/zinc/61/54/81/574615481.db2.gz ZQCMBVHVPCYZPI-GOSISDBHSA-N 0 3 314.454 3.153 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H]1OCCc2ccccc21 ZINC000733328502 574616185 /nfs/dbraw/zinc/61/61/85/574616185.db2.gz XQXCOHFVPAPRFZ-HXUWFJFHSA-N 0 3 307.393 3.102 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000733327294 574616432 /nfs/dbraw/zinc/61/64/32/574616432.db2.gz PKDPGIOXZDXNPP-UHFFFAOYSA-N 0 3 307.393 3.313 20 30 DGEDHN CCCCCCN(C)CC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000735658420 574711628 /nfs/dbraw/zinc/71/16/28/574711628.db2.gz BCTMVUIZEBJYSJ-GOSISDBHSA-N 0 3 307.482 3.477 20 30 DGEDHN CCCCCCN(C)CC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000735658421 574711652 /nfs/dbraw/zinc/71/16/52/574711652.db2.gz BCTMVUIZEBJYSJ-SFHVURJKSA-N 0 3 307.482 3.477 20 30 DGEDHN C=C(Cl)CNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000736397885 574747637 /nfs/dbraw/zinc/74/76/37/574747637.db2.gz JNQHWLJLWJIYFC-HNNXBMFYSA-N 0 3 309.841 3.121 20 30 DGEDHN C=C(Cl)CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000736400359 574748062 /nfs/dbraw/zinc/74/80/62/574748062.db2.gz RNNOFHMCWDZEFL-CYBMUJFWSA-N 0 3 315.870 3.183 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000736671154 574802253 /nfs/dbraw/zinc/80/22/53/574802253.db2.gz BGFHNKOWYQRWGY-BXUZGUMPSA-N 0 3 321.218 3.142 20 30 DGEDHN C#Cc1cccc(NC(=S)N(C)[C@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000740638745 574938171 /nfs/dbraw/zinc/93/81/71/574938171.db2.gz YJELNAHGTUNVMV-YOEHRIQHSA-N 0 3 315.486 3.169 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000740737642 574940757 /nfs/dbraw/zinc/94/07/57/574940757.db2.gz GVEOIFGOBGVPIK-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C[C@@H]1C[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000740881629 574944931 /nfs/dbraw/zinc/94/49/31/574944931.db2.gz CESVNYFTEDEVQW-AGIUHOORSA-N 0 3 313.426 3.203 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000741455564 574958414 /nfs/dbraw/zinc/95/84/14/574958414.db2.gz CAZPCZRCJBBZBI-CQSZACIVSA-N 0 3 318.490 3.308 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cc3sccc3s2)CC1 ZINC000743493442 575054361 /nfs/dbraw/zinc/05/43/61/575054361.db2.gz SWWDCZHAIBSQIE-UHFFFAOYSA-N 0 3 318.467 3.180 20 30 DGEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000744032002 575069130 /nfs/dbraw/zinc/06/91/30/575069130.db2.gz GRBJHNPUXAYQTA-UUSYTGMJSA-N 0 3 306.724 3.093 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C)c1 ZINC000744026953 575069203 /nfs/dbraw/zinc/06/92/03/575069203.db2.gz CEYQLFZBDRGCMP-RZXPCSSPSA-N 0 3 314.385 3.335 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)cc1 ZINC000744029262 575069231 /nfs/dbraw/zinc/06/92/31/575069231.db2.gz RLZHISHXSYTVJZ-IUODEOHRSA-N 0 3 310.353 3.293 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000740737171 575214205 /nfs/dbraw/zinc/21/42/05/575214205.db2.gz CJDXHLSCPMCCFH-UHFFFAOYSA-N 0 3 306.409 3.057 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000729942952 575267709 /nfs/dbraw/zinc/26/77/09/575267709.db2.gz VGBAGRKQRAAVGQ-UHFFFAOYSA-N 0 3 309.866 3.277 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000729942618 575267746 /nfs/dbraw/zinc/26/77/46/575267746.db2.gz PPWXYWPZDKHGBV-GDBMZVCRSA-N 0 3 309.523 3.070 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(C)s2)CC1 ZINC000730120591 575275502 /nfs/dbraw/zinc/27/55/02/575275502.db2.gz REUPMGQBGPDWSX-CYBMUJFWSA-N 0 3 307.463 3.067 20 30 DGEDHN CC(C)N(Cc1nc2ccccc2c(=O)n1CC#N)C1CCCC1 ZINC000744396595 575340182 /nfs/dbraw/zinc/34/01/82/575340182.db2.gz LIJYOZUKCGBXGU-UHFFFAOYSA-N 0 3 324.428 3.073 20 30 DGEDHN CC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744421919 575340589 /nfs/dbraw/zinc/34/05/89/575340589.db2.gz VCMSNMZBABXEFT-GFCCVEGCSA-N 0 3 313.426 3.204 20 30 DGEDHN CN(C)[C@H](C/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000746816761 575476440 /nfs/dbraw/zinc/47/64/40/575476440.db2.gz UFIUORABYQVQNV-SMLKNPDNSA-N 0 3 318.804 3.473 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](CO)c2ccccc2C)cc1 ZINC000747100970 575496267 /nfs/dbraw/zinc/49/62/67/575496267.db2.gz ZVYJLCJUKMCRLQ-FQEVSTJZSA-N 0 3 309.409 3.220 20 30 DGEDHN C#CCOc1ccc(CN[C@H](COC)Cc2ccccc2)cc1 ZINC000747100535 575496406 /nfs/dbraw/zinc/49/64/06/575496406.db2.gz JWUHKDSHJXOSPL-IBGZPJMESA-N 0 3 309.409 3.046 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)C#Cc1ccccc1)c1ccccc1 ZINC000747203476 575505559 /nfs/dbraw/zinc/50/55/59/575505559.db2.gz YHNSIDJVHLFXPM-HXUWFJFHSA-N 0 3 320.436 3.237 20 30 DGEDHN CCCCCCCCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747232334 575507288 /nfs/dbraw/zinc/50/72/88/575507288.db2.gz VZVXGZXPZVMJCK-IAGOWNOFSA-N 0 3 310.482 3.107 20 30 DGEDHN Cc1cc(C)cc(CON=C(N)c2ccc(CN(C)C)cc2)c1 ZINC000747838885 575545410 /nfs/dbraw/zinc/54/54/10/575545410.db2.gz QBLJYMHDVMSKHF-UHFFFAOYSA-N 0 3 311.429 3.202 20 30 DGEDHN C[C@H]1CCCN(CCCCC#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000747970434 575554105 /nfs/dbraw/zinc/55/41/05/575554105.db2.gz VPHPENJJKMFDOD-GJZGRUSLSA-N 0 3 309.454 3.305 20 30 DGEDHN Clc1cncc(N=NC2CCCC[C@@H]2N2CCCCC2)n1 ZINC000748781197 575606068 /nfs/dbraw/zinc/60/60/68/575606068.db2.gz UPPHLAVYFJJYQB-ZDUSSCGKSA-N 0 3 307.829 3.326 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)s1 ZINC000749110822 575627705 /nfs/dbraw/zinc/62/77/05/575627705.db2.gz RVBVXXQMIJFKSE-CYBMUJFWSA-N 0 3 310.781 3.235 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC000750028067 575698549 /nfs/dbraw/zinc/69/85/49/575698549.db2.gz UWGQPJAEWXHIRU-GFCCVEGCSA-N 0 3 324.877 3.109 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000750057297 575700547 /nfs/dbraw/zinc/70/05/47/575700547.db2.gz TZSTUDVGLJKZDQ-HXUWFJFHSA-N 0 3 323.415 3.404 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cccn2Cc2ccncc2)n1 ZINC000726318162 576016370 /nfs/dbraw/zinc/01/63/70/576016370.db2.gz DWMXHTUBSHKSFV-AWEZNQCLSA-N 0 3 322.393 3.186 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cccn2Cc2ccncc2)n1 ZINC000726318164 576016490 /nfs/dbraw/zinc/01/64/90/576016490.db2.gz DWMXHTUBSHKSFV-CQSZACIVSA-N 0 3 322.393 3.186 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000918071329 620695055 /nfs/dbraw/zinc/69/50/55/620695055.db2.gz VPPCHCFUOBBEDF-GOSISDBHSA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)(CCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000155069722 620763664 /nfs/dbraw/zinc/76/36/64/620763664.db2.gz QTGLPEHKWHMFIB-MRXNPFEDSA-N 0 3 312.413 3.076 20 30 DGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)CC1 ZINC000892491285 618080580 /nfs/dbraw/zinc/08/05/80/618080580.db2.gz IAMKIAJUQSXPAJ-INIZCTEOSA-N 0 3 312.369 3.089 20 30 DGEDHN CCC/C(C)=C/C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000920222930 620791726 /nfs/dbraw/zinc/79/17/26/620791726.db2.gz ZQFCJPYXXDFFBL-DTQAZKPQSA-N 0 3 313.445 3.195 20 30 DGEDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(CNCC(C)(C)C#N)C2 ZINC000894453886 618337738 /nfs/dbraw/zinc/33/77/38/618337738.db2.gz IJNWVJLJZBKIEF-GOOCMWNKSA-N 0 3 321.465 3.304 20 30 DGEDHN Cc1noc2ncc(CN[C@@H]3CCc4cc(C#N)ccc43)cc12 ZINC000894589489 618392222 /nfs/dbraw/zinc/39/22/22/618392222.db2.gz USJJKQHZJKFUPU-QGZVFWFLSA-N 0 3 304.353 3.180 20 30 DGEDHN C#C[C@H](NC[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870050 618483934 /nfs/dbraw/zinc/48/39/34/618483934.db2.gz HQSNSAXNDDDYRL-WFASDCNBSA-N 0 3 308.219 3.140 20 30 DGEDHN N#Cc1cc(CN2CC3(CCC3)[C@H]2C2CCOCC2)cs1 ZINC000895018012 618514553 /nfs/dbraw/zinc/51/45/53/618514553.db2.gz JUMKKXQGFGHDIJ-MRXNPFEDSA-N 0 3 302.443 3.401 20 30 DGEDHN C#CCNC(=O)CN[C@H](CCCc1ccccc1)c1ccccc1 ZINC000015056826 618526066 /nfs/dbraw/zinc/52/60/66/618526066.db2.gz XAWZTHOWXWVIMM-HXUWFJFHSA-N 0 3 320.436 3.090 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CCCN1[O-] ZINC000895157694 618557704 /nfs/dbraw/zinc/55/77/04/618557704.db2.gz DRAKJLMSCCGNBO-HZPDHXFCSA-N 0 3 320.820 3.246 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@@H](OCc2ccccn2)C1 ZINC000895493424 618791490 /nfs/dbraw/zinc/79/14/90/618791490.db2.gz RIBBFCGSGOUVHV-LJQANCHMSA-N 0 3 321.424 3.361 20 30 DGEDHN C=CCC1(O)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000895834986 618839750 /nfs/dbraw/zinc/83/97/50/618839750.db2.gz VESJQOIGVFXSRK-QINSGFPZSA-N 0 3 316.401 3.401 20 30 DGEDHN COC(=O)c1ccc(CNCc2ccc(C)c(C#N)c2)cc1C ZINC000896879458 618974423 /nfs/dbraw/zinc/97/44/23/618974423.db2.gz AXDCAHNUDMXNAD-UHFFFAOYSA-N 0 3 308.381 3.252 20 30 DGEDHN CC(C)(C)N1CC[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000897281216 619043614 /nfs/dbraw/zinc/04/36/14/619043614.db2.gz ZKVQYRJXBCSWDD-SFHVURJKSA-N 0 3 323.440 3.047 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000897698326 619173287 /nfs/dbraw/zinc/17/32/87/619173287.db2.gz VRFGRWZZINOMNC-GOSISDBHSA-N 0 3 316.445 3.161 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)cc1 ZINC000897731036 619179951 /nfs/dbraw/zinc/17/99/51/619179951.db2.gz VYAIESMVCFIEKX-PBHICJAKSA-N 0 3 310.397 3.120 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccccc1CN1CCCC1=O ZINC000924641244 619251943 /nfs/dbraw/zinc/25/19/43/619251943.db2.gz XROKEXNCNZTJOR-HNNXBMFYSA-N 0 3 313.445 3.227 20 30 DGEDHN N#CCCn1cc(CNC/C=C/Cl)c(-c2ccccc2)n1 ZINC000898434880 619275543 /nfs/dbraw/zinc/27/55/43/619275543.db2.gz CHQMSVKPXNQXLK-XBXARRHUSA-N 0 3 300.793 3.306 20 30 DGEDHN C=C1CC(C)(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1 ZINC000899046450 619309620 /nfs/dbraw/zinc/30/96/20/619309620.db2.gz SUUWOEGYKCPGSD-UHFFFAOYSA-N 0 3 318.808 3.006 20 30 DGEDHN C[C@](O)(CNCc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000899876357 619379921 /nfs/dbraw/zinc/37/99/21/619379921.db2.gz RNDDBPMXDIKAEF-JTQLQIEISA-N 0 3 319.220 3.003 20 30 DGEDHN N#CCCCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900835288 619454115 /nfs/dbraw/zinc/45/41/15/619454115.db2.gz GLDUXMHGUCKKTK-UHFFFAOYSA-N 0 3 321.424 3.176 20 30 DGEDHN C=CCCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900836237 619456825 /nfs/dbraw/zinc/45/68/25/619456825.db2.gz QISSDIMDRYAXGK-UHFFFAOYSA-N 0 3 308.425 3.448 20 30 DGEDHN C[C@@H]1CC(NN=C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000901300451 619483224 /nfs/dbraw/zinc/48/32/24/619483224.db2.gz AQMDIYMDCHZNLJ-YUITZXLLSA-N 0 3 301.434 3.297 20 30 DGEDHN C[C@@H](N[C@@H](C)COc1ccc(F)cc1F)c1cc(C#N)ccn1 ZINC000902766213 619672962 /nfs/dbraw/zinc/67/29/62/619672962.db2.gz ZDCSVBDBGTZGEK-NWDGAFQWSA-N 0 3 317.339 3.350 20 30 DGEDHN CCN(CC)[C@@H](CN[C@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902780799 619674764 /nfs/dbraw/zinc/67/47/64/619674764.db2.gz TUOFSTCRVXCXNN-PBHICJAKSA-N 0 3 312.417 3.280 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)c1ccccc1 ZINC000902976336 619698333 /nfs/dbraw/zinc/69/83/33/619698333.db2.gz PCNOJTFPINYCGT-JVPBZIDWSA-N 0 3 309.413 3.362 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902998524 619702988 /nfs/dbraw/zinc/70/29/88/619702988.db2.gz FKERCPUFXWPWSQ-UKRRQHHQSA-N 0 3 310.376 3.022 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903009518 619704020 /nfs/dbraw/zinc/70/40/20/619704020.db2.gz AMRFZERYJWDBAS-HONMWMINSA-N 0 3 300.324 3.485 20 30 DGEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110365 619718280 /nfs/dbraw/zinc/71/82/80/619718280.db2.gz OPTBHDFCDCJYHL-ZJUUUORDSA-N 0 3 307.337 3.205 20 30 DGEDHN C=CCC[C@H](N[C@H](C)C(=O)NCCF)c1cccc(Cl)c1 ZINC000903168576 619732790 /nfs/dbraw/zinc/73/27/90/619732790.db2.gz XZQFLTOPBBXTKT-DOMZBBRYSA-N 0 3 312.816 3.411 20 30 DGEDHN C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378186 619768165 /nfs/dbraw/zinc/76/81/65/619768165.db2.gz PEMJDTMLDCPADN-RDTXWAMCSA-N 0 3 324.428 3.002 20 30 DGEDHN C[C@@H]([NH2+][C@H](CCN(C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378186 619768166 /nfs/dbraw/zinc/76/81/66/619768166.db2.gz PEMJDTMLDCPADN-RDTXWAMCSA-N 0 3 324.428 3.002 20 30 DGEDHN C[N@@H+]1CC[C@H](CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904178681 619888188 /nfs/dbraw/zinc/88/81/88/619888188.db2.gz RHTMJOZTBGYTSY-SNVBAGLBSA-N 0 3 317.216 3.053 20 30 DGEDHN C[N@H+]1CC[C@H](CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904178681 619888190 /nfs/dbraw/zinc/88/81/90/619888190.db2.gz RHTMJOZTBGYTSY-SNVBAGLBSA-N 0 3 317.216 3.053 20 30 DGEDHN CC#Cc1cccc(-c2nc(C(F)(F)F)n3c2CNCC3)c1 ZINC000904753954 619944987 /nfs/dbraw/zinc/94/49/87/619944987.db2.gz RCMIMCMOCIQFTO-UHFFFAOYSA-N 0 3 305.303 3.044 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@]2(OC)CCSC2)c([O-])c1 ZINC000905002009 619964132 /nfs/dbraw/zinc/96/41/32/619964132.db2.gz DJURFMFBYNLAPG-AUUUKSDWSA-N 0 3 322.474 3.179 20 30 DGEDHN CC1/C(=C/c2ccccc2OC2CCCC2)C(=O)c2ncnn21 ZINC000905080888 619968227 /nfs/dbraw/zinc/96/82/27/619968227.db2.gz NBPAWTZJJCMLTL-DYTQJMLRSA-N 0 3 309.369 3.440 20 30 DGEDHN CC[C@@](O)(CN[C@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000905287646 619985715 /nfs/dbraw/zinc/98/57/15/619985715.db2.gz HBYJKPZSBZMEAT-LSDHHAIUSA-N 0 3 312.335 3.229 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OCC)ccc1OCC ZINC000912061836 620361018 /nfs/dbraw/zinc/36/10/18/620361018.db2.gz XYDSHYRDYSSMPT-CQSZACIVSA-N 0 3 306.406 3.106 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000912114604 620366434 /nfs/dbraw/zinc/36/64/34/620366434.db2.gz DSFRGDFGUZVHJC-DLBZAZTESA-N 0 3 304.434 3.192 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000912372071 620383583 /nfs/dbraw/zinc/38/35/83/620383583.db2.gz CMCRWURPPVLUHX-SMDDNHRTSA-N 0 3 312.360 3.149 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000912389347 620383900 /nfs/dbraw/zinc/38/39/00/620383900.db2.gz WNBKGLCZJCARDK-WMLDXEAASA-N 0 3 304.434 3.335 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000912449113 620388285 /nfs/dbraw/zinc/38/82/85/620388285.db2.gz HFQYWPXPFNIAQB-OAHLLOKOSA-N 0 3 317.433 3.212 20 30 DGEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(OC)c(C#N)c1 ZINC000151929851 620482114 /nfs/dbraw/zinc/48/21/14/620482114.db2.gz BVFGOOAIXQRVRE-KRWDZBQOSA-N 0 3 308.381 3.353 20 30 DGEDHN C#CCN(C(=O)N[C@H](C)CCCCCC)C1CCN(C)CC1 ZINC000913850808 620486600 /nfs/dbraw/zinc/48/66/00/620486600.db2.gz RTNUTHNQRJCEOQ-MRXNPFEDSA-N 0 3 307.482 3.084 20 30 DGEDHN CC(C)Cc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000152372615 620503102 /nfs/dbraw/zinc/50/31/02/620503102.db2.gz HCIHLLCPWLQBDQ-KRWDZBQOSA-N 0 3 314.429 3.051 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NOC[C@@H]1CCOC1 ZINC000788032650 620558876 /nfs/dbraw/zinc/55/88/76/620558876.db2.gz CMDXYVLJQJGPKD-HCDQAGNISA-N 0 3 300.402 3.337 20 30 DGEDHN CCCCNN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000915966649 620609074 /nfs/dbraw/zinc/60/90/74/620609074.db2.gz ZVUZCTGFUWWBET-UHFFFAOYSA-N 0 3 303.450 3.405 20 30 DGEDHN Cc1cc(C(F)(F)F)c(C#N)c(SC[C@H]2CCCN2C)n1 ZINC000916145589 620619407 /nfs/dbraw/zinc/61/94/07/620619407.db2.gz BSBHHWPENDNRRT-SNVBAGLBSA-N 0 3 315.364 3.467 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCCC(=O)OC)c([O-])c1 ZINC000920991593 620830700 /nfs/dbraw/zinc/83/07/00/620830700.db2.gz WQLUWNYLQYILJP-AQTBWJFISA-N 0 3 306.406 3.001 20 30 DGEDHN N#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CCCC1 ZINC000921541590 620904954 /nfs/dbraw/zinc/90/49/54/620904954.db2.gz NSZJDAMZKZJQFU-GOSISDBHSA-N 0 3 311.429 3.095 20 30 DGEDHN N#Cc1cc(CN[C@H]2CCN(c3ccc(F)cc3F)C2)cs1 ZINC000921703767 620937685 /nfs/dbraw/zinc/93/76/85/620937685.db2.gz ABDLSHGXGIRTII-ZDUSSCGKSA-N 0 3 319.380 3.266 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H](NCc1csc(C#N)c1)C1CC1 ZINC000921772545 620947534 /nfs/dbraw/zinc/94/75/34/620947534.db2.gz BZGCHAXJIUCLBE-AWEZNQCLSA-N 0 3 321.446 3.013 20 30 DGEDHN COc1ccc(O[C@H](C)CNCc2csc(C#N)c2)cc1 ZINC000921791559 620950134 /nfs/dbraw/zinc/95/01/34/620950134.db2.gz DUGBPGFZRPDFMZ-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN C[C@@H](NCc1csc(C#N)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000922153556 620996521 /nfs/dbraw/zinc/99/65/21/620996521.db2.gz NZCASKSJYTVMAO-GHMZBOCLSA-N 0 3 309.435 3.011 20 30 DGEDHN N#Cc1cc(CNC[C@H]2CCC[C@H](C(F)(F)F)O2)cs1 ZINC000922691317 621082259 /nfs/dbraw/zinc/08/22/59/621082259.db2.gz HJNLLSRJJXQYKC-ZYHUDNBSSA-N 0 3 304.337 3.209 20 30 DGEDHN N#Cc1ccccc1CSCCN[C@H]1CCCc2c[nH]nc21 ZINC000857850258 621122292 /nfs/dbraw/zinc/12/22/92/621122292.db2.gz VIROZYCLLSRNGN-INIZCTEOSA-N 0 3 312.442 3.182 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858022983 621146195 /nfs/dbraw/zinc/14/61/95/621146195.db2.gz DHSLBRVSWNZAQZ-JLSDUUJJSA-N 0 3 311.429 3.494 20 30 DGEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1OC1CC1 ZINC000858098382 621152290 /nfs/dbraw/zinc/15/22/90/621152290.db2.gz KXTXJMBBXBVMEE-UHFFFAOYSA-N 0 3 308.381 3.398 20 30 DGEDHN C#Cc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000858290529 621172508 /nfs/dbraw/zinc/17/25/08/621172508.db2.gz VGYVZUHIRBDAHY-UHFFFAOYSA-N 0 3 316.404 3.335 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000858334895 621177500 /nfs/dbraw/zinc/17/75/00/621177500.db2.gz HTISRCVFTFYCCC-LLVKDONJSA-N 0 3 303.736 3.069 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000858335457 621177642 /nfs/dbraw/zinc/17/76/42/621177642.db2.gz VLENDMXGBGYUEX-NSHDSACASA-N 0 3 305.727 3.487 20 30 DGEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(F)c1 ZINC000116593394 621255616 /nfs/dbraw/zinc/25/56/16/621255616.db2.gz YIGTVNNLNVSCQO-WBMJQRKESA-N 0 3 316.376 3.087 20 30 DGEDHN C#CCCN1CCN(C[C@H](C)CSc2ccccc2C)CC1 ZINC000859214040 621261399 /nfs/dbraw/zinc/26/13/99/621261399.db2.gz UJKYVHRNOUCPLP-KRWDZBQOSA-N 0 3 316.514 3.364 20 30 DGEDHN C=CC[C@H]1CCN(Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000859444498 621278085 /nfs/dbraw/zinc/27/80/85/621278085.db2.gz PUPYRLWGEHYCBJ-LBPRGKRZSA-N 0 3 304.825 3.328 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000838787312 621280560 /nfs/dbraw/zinc/28/05/60/621280560.db2.gz IHBOEPWQHFBVBU-ZWNOBZJWSA-N 0 3 324.327 3.024 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000838787308 621280645 /nfs/dbraw/zinc/28/06/45/621280645.db2.gz IHBOEPWQHFBVBU-MFKMUULPSA-N 0 3 324.327 3.024 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COC(C)(C)CC)cc1 ZINC000838788887 621281162 /nfs/dbraw/zinc/28/11/62/621281162.db2.gz WBGWLHRCTGLEJO-OAHLLOKOSA-N 0 3 316.401 3.102 20 30 DGEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000859533377 621287521 /nfs/dbraw/zinc/28/75/21/621287521.db2.gz LKWNTWBPRHPTPQ-UHFFFAOYSA-N 0 3 317.433 3.099 20 30 DGEDHN C#CCC[C@@H](C)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000839036062 621311996 /nfs/dbraw/zinc/31/19/96/621311996.db2.gz QGYSHWOEDWJTQL-IUODEOHRSA-N 0 3 319.788 3.038 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000860463329 621407972 /nfs/dbraw/zinc/40/79/72/621407972.db2.gz AMWGEGYZIGUSQG-RRFJBIMHSA-N 0 3 318.442 3.257 20 30 DGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C12CC(C1)C2 ZINC000860468642 621408491 /nfs/dbraw/zinc/40/84/91/621408491.db2.gz DZZVDUYOBIZARV-WXYZLBAPSA-N 0 3 304.349 3.287 20 30 DGEDHN Cc1sc2ncnc(N=NC3C[C@@H](C)N(C4CC4)C3)c2c1C ZINC000753955412 621474330 /nfs/dbraw/zinc/47/43/30/621474330.db2.gz MTLQURWWZYEUAT-SECBINFHSA-N 0 3 315.446 3.333 20 30 DGEDHN CCCCCCCCCCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861710403 621534545 /nfs/dbraw/zinc/53/45/45/621534545.db2.gz PCVHZAYICORYNW-QZTJIDSGSA-N 0 3 324.509 3.185 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(CC#N)cc1 ZINC000754874163 621539606 /nfs/dbraw/zinc/53/96/06/621539606.db2.gz POWHKUHCUVSQIZ-UHFFFAOYSA-N 0 3 314.429 3.449 20 30 DGEDHN C[C@H](CCN1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000862421699 621587945 /nfs/dbraw/zinc/58/79/45/621587945.db2.gz DOLWQCQBJYRRBD-QGZVFWFLSA-N 0 3 320.440 3.269 20 30 DGEDHN C#CC[C@H]1CCN(Cc2cc(OC)ccc2Br)C1 ZINC000862445621 621590847 /nfs/dbraw/zinc/59/08/47/621590847.db2.gz YFVMUNKITWEYDI-LBPRGKRZSA-N 0 3 308.219 3.303 20 30 DGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(OC(F)(F)F)cc1 ZINC000755892808 621600564 /nfs/dbraw/zinc/60/05/64/621600564.db2.gz KKKDTKNLZVEZNR-JTQLQIEISA-N 0 3 313.323 3.467 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCCO1 ZINC000756242761 621622660 /nfs/dbraw/zinc/62/26/60/621622660.db2.gz OHKTWPVSJFXLQD-QFYYESIMSA-N 0 3 319.311 3.177 20 30 DGEDHN CCCCn1nc(C)c(C=NNc2ccnc(C)c2)c1Cl ZINC000863158588 621642897 /nfs/dbraw/zinc/64/28/97/621642897.db2.gz IDQBZGMHZMQPTA-UHFFFAOYSA-N 0 3 305.813 3.216 20 30 DGEDHN Cc1c(C=NNc2ccnc(C)c2)sc2nc(C)nc(C)c12 ZINC000863158770 621643253 /nfs/dbraw/zinc/64/32/53/621643253.db2.gz PWMFICAAZIJWRI-UHFFFAOYSA-N 0 3 311.414 3.188 20 30 DGEDHN C#CC[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805893010 625514231 /nfs/dbraw/zinc/51/42/31/625514231.db2.gz LFWVJVLJEBCMRD-IBGZPJMESA-N 0 3 311.425 3.244 20 30 DGEDHN N#CC(C(=O)CCc1ccncc1)c1ccc2ccccc2n1 ZINC000759186425 621833440 /nfs/dbraw/zinc/83/34/40/621833440.db2.gz GUCHUTBRUCPQTF-MRXNPFEDSA-N 0 3 301.349 3.439 20 30 DGEDHN CN(CCC#N)c1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000120489623 621896558 /nfs/dbraw/zinc/89/65/58/621896558.db2.gz CKGHTFUDRUWMKL-UHFFFAOYSA-N 0 3 313.376 3.171 20 30 DGEDHN N#CCc1ccccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000761095245 621985985 /nfs/dbraw/zinc/98/59/85/621985985.db2.gz YEMOZWWNOWPAPD-HNNXBMFYSA-N 0 3 315.332 3.313 20 30 DGEDHN CCn1c2ccccc2nc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000865848239 622007504 /nfs/dbraw/zinc/00/75/04/622007504.db2.gz LQRFVZFLQQHXBT-KRWDZBQOSA-N 0 3 316.408 3.185 20 30 DGEDHN C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])CN1CCCCC1 ZINC000866237466 622072812 /nfs/dbraw/zinc/07/28/12/622072812.db2.gz DGSRAPALDUCJAA-CABCVRRESA-N 0 3 301.434 3.036 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc(C4CCC4)no3)CC2)C1 ZINC000866582151 622142037 /nfs/dbraw/zinc/14/20/37/622142037.db2.gz MTPYDWCIZHGTMK-WFASDCNBSA-N 0 3 300.406 3.209 20 30 DGEDHN N#CC(C(=O)CCc1cncc2ccccc21)c1ccccn1 ZINC000765586523 622274879 /nfs/dbraw/zinc/27/48/79/622274879.db2.gz IBCAULAGDIHSKK-KRWDZBQOSA-N 0 3 301.349 3.439 20 30 DGEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000868782021 622284653 /nfs/dbraw/zinc/28/46/53/622284653.db2.gz JVJKRJQHEGJDSK-UHFFFAOYSA-N 0 3 317.433 3.124 20 30 DGEDHN COc1cc(C=NOCCN2CCCCC2)ccc1OC(C)C ZINC000766685310 622346851 /nfs/dbraw/zinc/34/68/51/622346851.db2.gz RBRYJKBMGQCKSU-UHFFFAOYSA-N 0 3 320.433 3.319 20 30 DGEDHN C#CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000766895246 622359980 /nfs/dbraw/zinc/35/99/80/622359980.db2.gz CACUBDXDYOEVKK-UHFFFAOYSA-N 0 3 310.363 3.236 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)C2CCOCC2)c([O-])c1 ZINC000122892549 622426676 /nfs/dbraw/zinc/42/66/76/622426676.db2.gz LIGWMZYGTNFIQO-ITRAFESCSA-N 0 3 304.434 3.472 20 30 DGEDHN CC#CCCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000768003127 622433460 /nfs/dbraw/zinc/43/34/60/622433460.db2.gz NYBLALLXLADFOW-UHFFFAOYSA-N 0 3 303.402 3.228 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(OC(C)(C)C)c2)CC1 ZINC000888559040 622561574 /nfs/dbraw/zinc/56/15/74/622561574.db2.gz LEEMEXUZFREOLU-UHFFFAOYSA-N 0 3 314.429 3.148 20 30 DGEDHN CCCCCCC[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000770034001 622593410 /nfs/dbraw/zinc/59/34/10/622593410.db2.gz GVBTYRGOZSFGAM-UHFFFAOYSA-N 0 3 322.453 3.131 20 30 DGEDHN CCCCCCC[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000770034001 622593411 /nfs/dbraw/zinc/59/34/11/622593411.db2.gz GVBTYRGOZSFGAM-UHFFFAOYSA-N 0 3 322.453 3.131 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000770049828 622595308 /nfs/dbraw/zinc/59/53/08/622595308.db2.gz PVLVVYGWUOKHCS-LPHOPBHVSA-N 0 3 300.446 3.378 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1)C(=O)Nc1ccc(C)cc1 ZINC000871869718 622723519 /nfs/dbraw/zinc/72/35/19/622723519.db2.gz AAAFTSZDWDFZPC-SFHVURJKSA-N 0 3 307.397 3.374 20 30 DGEDHN C=CCC[C@@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000772781599 622939096 /nfs/dbraw/zinc/93/90/96/622939096.db2.gz IRVHLULPEMAYLS-IUODEOHRSA-N 0 3 305.349 3.077 20 30 DGEDHN N#Cc1ccc(CNC[C@@]2(O)CCCc3ccccc32)c(F)c1 ZINC000772926745 622954539 /nfs/dbraw/zinc/95/45/39/622954539.db2.gz GIDHTVLYJWIRLQ-IBGZPJMESA-N 0 3 310.372 3.011 20 30 DGEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(OC)c(C#N)c1)CC2 ZINC000773072673 622977862 /nfs/dbraw/zinc/97/78/62/622977862.db2.gz AVCRQBSFVDTKTO-SFHVURJKSA-N 0 3 308.381 3.353 20 30 DGEDHN C#CCCCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000773834743 623077064 /nfs/dbraw/zinc/07/70/64/623077064.db2.gz MVNNJHPIDMZVJS-UHFFFAOYSA-N 0 3 303.402 3.228 20 30 DGEDHN CCCCCCCC[C@@H](O)CCC(=O)N1CCN2CCC1CC2 ZINC000774097858 623107108 /nfs/dbraw/zinc/10/71/08/623107108.db2.gz VHPBZVFJFGZGDW-GOSISDBHSA-N 0 3 324.509 3.185 20 30 DGEDHN C[C@H](NCc1ccc2c(c1)ncn2C)c1ccc(OCC#N)cc1 ZINC000774811353 623194891 /nfs/dbraw/zinc/19/48/91/623194891.db2.gz NMMBXNVWPFTPPB-AWEZNQCLSA-N 0 3 320.396 3.326 20 30 DGEDHN Cc1ccnc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)n1 ZINC000775058937 623223529 /nfs/dbraw/zinc/22/35/29/623223529.db2.gz FBTGJARGYSQEPR-UHFFFAOYSA-N 0 3 306.413 3.345 20 30 DGEDHN C[C@@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cccc(C#N)c1 ZINC000775337305 623255602 /nfs/dbraw/zinc/25/56/02/623255602.db2.gz DBFLAWAMCUANQH-KDOFPFPSSA-N 0 3 321.380 3.234 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2nc3ccccc3cc2C)CC1 ZINC000874436502 623270321 /nfs/dbraw/zinc/27/03/21/623270321.db2.gz IVWOGWYYZAZRIE-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2sccc2C(F)F)CC1 ZINC000874436901 623270327 /nfs/dbraw/zinc/27/03/27/623270327.db2.gz XFIHVNKLIPEFPM-UHFFFAOYSA-N 0 3 314.401 3.456 20 30 DGEDHN N#CCCNC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000775526794 623284897 /nfs/dbraw/zinc/28/48/97/623284897.db2.gz KAXJMAOIDYONRE-QGZVFWFLSA-N 0 3 319.836 3.191 20 30 DGEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccc2ccccc2c1 ZINC000776076853 623372447 /nfs/dbraw/zinc/37/24/47/623372447.db2.gz JBOXSBPEXNRDNU-SFHVURJKSA-N 0 3 320.392 3.174 20 30 DGEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776165271 623386939 /nfs/dbraw/zinc/38/69/39/623386939.db2.gz ZPYOTYZCSGBJDJ-ACJLOTCBSA-N 0 3 322.412 3.416 20 30 DGEDHN C[C@@]1(CCCO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000776596977 623444827 /nfs/dbraw/zinc/44/48/27/623444827.db2.gz BNDZLHMNXOIHJR-KRWDZBQOSA-N 0 3 322.836 3.369 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccccc1OC(F)(F)F ZINC000777452075 623527873 /nfs/dbraw/zinc/52/78/73/623527873.db2.gz SEYBRKADGQPDLU-UHFFFAOYSA-N 0 3 324.306 3.492 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000876575809 623648564 /nfs/dbraw/zinc/64/85/64/623648564.db2.gz UBWJYVMUJIIXOF-VIFPVBQESA-N 0 3 310.678 3.253 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000876594023 623654886 /nfs/dbraw/zinc/65/48/86/623654886.db2.gz QXOCXCVXXCDRTK-UONOGXRCSA-N 0 3 312.816 3.499 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000876601837 623657702 /nfs/dbraw/zinc/65/77/02/623657702.db2.gz CDLJUJQXFTZBPU-OAHLLOKOSA-N 0 3 324.827 3.224 20 30 DGEDHN C#CCNC(=O)C1CCN(C/C=C\c2cc(C)c(C)cc2C)CC1 ZINC000876634248 623665048 /nfs/dbraw/zinc/66/50/48/623665048.db2.gz LPACTQKVEZJJQH-SREVYHEPSA-N 0 3 324.468 3.086 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000876635108 623665688 /nfs/dbraw/zinc/66/56/88/623665688.db2.gz MEPNIBRJAUIURB-SJORKVTESA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000876637982 623666996 /nfs/dbraw/zinc/66/69/96/623666996.db2.gz YKIOZSLQPOQPJV-JTQLQIEISA-N 0 3 323.607 3.410 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(C)c2)CCCC1 ZINC000876644413 623668464 /nfs/dbraw/zinc/66/84/64/623668464.db2.gz GCVRYVIKDVQVFB-HNNXBMFYSA-N 0 3 306.837 3.350 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCCC)Cc1ccccc1F ZINC000876646875 623669543 /nfs/dbraw/zinc/66/95/43/623669543.db2.gz YUTRZUGIWRETPO-OAHLLOKOSA-N 0 3 312.816 3.424 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)Cc1ccc(Cl)cc1 ZINC000876672676 623676925 /nfs/dbraw/zinc/67/69/25/623676925.db2.gz XNJULJVHZOHFQU-KGLIPLIRSA-N 0 3 315.244 3.247 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000876672036 623677021 /nfs/dbraw/zinc/67/70/21/623677021.db2.gz RSMCHYNNEROBQB-LKTVYLICSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000876673684 623677657 /nfs/dbraw/zinc/67/76/57/623677657.db2.gz PUWQCTSZFMOVFM-QEJZJMRPSA-N 0 3 324.877 3.162 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](CC)Cc1ccccc1 ZINC000876688114 623682079 /nfs/dbraw/zinc/68/20/79/623682079.db2.gz QDVXJOLOUDRIGT-HZPDHXFCSA-N 0 3 308.853 3.326 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC000876698335 623684651 /nfs/dbraw/zinc/68/46/51/623684651.db2.gz PDIHMLMFKFZDFQ-GJZGRUSLSA-N 0 3 324.852 3.369 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000876698834 623685591 /nfs/dbraw/zinc/68/55/91/623685591.db2.gz NFXJPSPOCICOFO-CYBMUJFWSA-N 0 3 319.792 3.367 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000876703837 623686832 /nfs/dbraw/zinc/68/68/32/623686832.db2.gz IVRWZXQLZMUYAW-MNOVXSKESA-N 0 3 312.763 3.084 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000876715624 623688844 /nfs/dbraw/zinc/68/88/44/623688844.db2.gz NWLWLUAUNSGULE-AWEZNQCLSA-N 0 3 307.825 3.004 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000876717369 623689000 /nfs/dbraw/zinc/68/90/00/623689000.db2.gz CXRPPEAFWBCKKN-CQSZACIVSA-N 0 3 321.852 3.475 20 30 DGEDHN C#CCCCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790553335 625668718 /nfs/dbraw/zinc/66/87/18/625668718.db2.gz JBCURIKSTQCKLG-UHFFFAOYSA-N 0 3 301.821 3.478 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1sc(CC)nc1C ZINC000876771381 623702741 /nfs/dbraw/zinc/70/27/41/623702741.db2.gz QVCPBVUQQIYCIB-MNOVXSKESA-N 0 3 315.870 3.003 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000876888532 623737422 /nfs/dbraw/zinc/73/74/22/623737422.db2.gz DFNHOUCTNPLTGG-DLBZAZTESA-N 0 3 320.864 3.470 20 30 DGEDHN COc1ccc(C)cc1CCNCc1cc(C#N)cnc1Cl ZINC000876901097 623740143 /nfs/dbraw/zinc/74/01/43/623740143.db2.gz YXVBPOLBMGNBHC-UHFFFAOYSA-N 0 3 315.804 3.256 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000876907626 623742094 /nfs/dbraw/zinc/74/20/94/623742094.db2.gz UMUIONGBNDYXCR-ZBFHGGJFSA-N 0 3 320.864 3.473 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000876907621 623742239 /nfs/dbraw/zinc/74/22/39/623742239.db2.gz UMUIONGBNDYXCR-GOEBONIOSA-N 0 3 320.864 3.473 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000876956101 623753510 /nfs/dbraw/zinc/75/35/10/623753510.db2.gz GTPPXJLKNIKPEG-RDJZCZTQSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Br)CNCC(C)(C)CNC(=O)OC(C)(C)C ZINC000877020111 623767554 /nfs/dbraw/zinc/76/75/54/623767554.db2.gz LGVWNLGLEWDDCL-UHFFFAOYSA-N 0 3 321.259 3.036 20 30 DGEDHN C=CC[C@H](C)NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877036606 623772409 /nfs/dbraw/zinc/77/24/09/623772409.db2.gz RMUMIMFIOJRXAQ-LBPRGKRZSA-N 0 3 323.437 3.489 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(CO)cc2)c1 ZINC000877045848 623775734 /nfs/dbraw/zinc/77/57/34/623775734.db2.gz DXLPEPGWONVPAX-SFHVURJKSA-N 0 3 310.397 3.150 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000779706487 623788413 /nfs/dbraw/zinc/78/84/13/623788413.db2.gz FOROFDCEGZEYRA-XGYFDAGOSA-N 0 3 304.434 3.472 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000779706484 623788667 /nfs/dbraw/zinc/78/86/67/623788667.db2.gz FOROFDCEGZEYRA-DVRXWAPZSA-N 0 3 304.434 3.472 20 30 DGEDHN CC(C)OC1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877113969 623794059 /nfs/dbraw/zinc/79/40/59/623794059.db2.gz IRICMEFIVLEERB-UHFFFAOYSA-N 0 3 307.825 3.432 20 30 DGEDHN CCc1ccc(N(CC2CC2)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000877143993 623806200 /nfs/dbraw/zinc/80/62/00/623806200.db2.gz DJXNLPZZGMVSGQ-GOSISDBHSA-N 0 3 313.445 3.403 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2F)C1(C)C ZINC000877255969 623837785 /nfs/dbraw/zinc/83/77/85/623837785.db2.gz LHGPZLOQGKATMV-DZGCQCFKSA-N 0 3 324.827 3.390 20 30 DGEDHN COC1CCC(CCNCc2cc(C#N)cnc2Cl)CC1 ZINC000877335172 623853955 /nfs/dbraw/zinc/85/39/55/623853955.db2.gz DYCSCQUVGNDODE-UHFFFAOYSA-N 0 3 307.825 3.292 20 30 DGEDHN Cc1csc([C@@H](C)CNCc2cc(C#N)cnc2Cl)n1 ZINC000877333019 623854704 /nfs/dbraw/zinc/85/47/04/623854704.db2.gz MJSAKVXTMLTAQD-VIFPVBQESA-N 0 3 306.822 3.265 20 30 DGEDHN C=CCCCNCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877489658 623908799 /nfs/dbraw/zinc/90/87/99/623908799.db2.gz QBCVHGAEJFGILL-UHFFFAOYSA-N 0 3 323.437 3.490 20 30 DGEDHN COc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1C#N ZINC000780540152 623946294 /nfs/dbraw/zinc/94/62/94/623946294.db2.gz ZOZSNDKNZTZUSE-UHFFFAOYSA-N 0 3 324.409 3.308 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000877617900 623963601 /nfs/dbraw/zinc/96/36/01/623963601.db2.gz ZALWFMYBHHIHOR-HUUCEWRRSA-N 0 3 305.809 3.044 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000877650630 623977629 /nfs/dbraw/zinc/97/76/29/623977629.db2.gz NMJHGQHICAOXGK-LLVKDONJSA-N 0 3 319.202 3.436 20 30 DGEDHN COc1cncc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000877664871 623984335 /nfs/dbraw/zinc/98/43/35/623984335.db2.gz XBQUSSXBSZJADI-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN N#Cc1ccccc1N1CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000877683138 623991281 /nfs/dbraw/zinc/99/12/81/623991281.db2.gz YVOOPZYZJQTFBT-UHFFFAOYSA-N 0 3 322.412 3.182 20 30 DGEDHN Cc1csc([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000877814658 624047935 /nfs/dbraw/zinc/04/79/35/624047935.db2.gz WIUKNAKNUZXGNB-CQSZACIVSA-N 0 3 301.390 3.452 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1cccc2ccccc21 ZINC000783289491 624335387 /nfs/dbraw/zinc/33/53/87/624335387.db2.gz MOEXDTRQCANTDI-SFHVURJKSA-N 0 3 317.454 3.481 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCCCS1 ZINC000783353214 624339750 /nfs/dbraw/zinc/33/97/50/624339750.db2.gz SCLBIFBIADULDV-GWCFXTLKSA-N 0 3 322.817 3.273 20 30 DGEDHN C#CC[C@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878760260 624355507 /nfs/dbraw/zinc/35/55/07/624355507.db2.gz HKJSMLGGKUUZOJ-ICSRJNTNSA-N 0 3 308.425 3.162 20 30 DGEDHN Cc1cc(C)c(CN(C)C[C@H](O)c2cccc(C#N)c2)c(C)n1 ZINC000878800804 624362610 /nfs/dbraw/zinc/36/26/10/624362610.db2.gz GODFKWRDOHGJLN-IBGZPJMESA-N 0 3 309.413 3.044 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](CCC)c1ccc(Cl)cc1 ZINC000783538004 624363533 /nfs/dbraw/zinc/36/35/33/624363533.db2.gz YWSJUUUKZXQZSZ-HNNXBMFYSA-N 0 3 315.866 3.372 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)o1 ZINC000878905238 624385088 /nfs/dbraw/zinc/38/50/88/624385088.db2.gz REPBYNCCOAPINN-CQSZACIVSA-N 0 3 304.353 3.084 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CC2(CC#N)CC2)C1 ZINC000879104594 624427899 /nfs/dbraw/zinc/42/78/99/624427899.db2.gz LSPGWPXFWZMACF-OAHLLOKOSA-N 0 3 321.465 3.450 20 30 DGEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)ccc1F ZINC000879243618 624459290 /nfs/dbraw/zinc/45/92/90/624459290.db2.gz KCJBZPCQRHRPAJ-MOPGFXCFSA-N 0 3 310.372 3.395 20 30 DGEDHN Cc1cccc(C(=O)NC2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000879350686 624513267 /nfs/dbraw/zinc/51/32/67/624513267.db2.gz OPKBABIOOWEVPX-UHFFFAOYSA-N 0 3 313.445 3.129 20 30 DGEDHN COc1cccc([C@@H]2CN(Cc3ccc(C)c(C#N)c3)CCN2)c1 ZINC000879522780 624577512 /nfs/dbraw/zinc/57/75/12/624577512.db2.gz MKNTXUDMOJRVKT-FQEVSTJZSA-N 0 3 321.424 3.022 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCC(C)(C)C#N ZINC000879756175 624667297 /nfs/dbraw/zinc/66/72/97/624667297.db2.gz ZSHOWUDUGXCGSY-CABCVRRESA-N 0 3 321.465 3.400 20 30 DGEDHN C=CC[C@H](C)N1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880217124 624848703 /nfs/dbraw/zinc/84/87/03/624848703.db2.gz OLLOWXQJDNLYAQ-DAYGRLMNSA-N 0 3 324.465 3.051 20 30 DGEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786543786 624916718 /nfs/dbraw/zinc/91/67/18/624916718.db2.gz SVTDYPCEWCEPQO-INIZCTEOSA-N 0 3 300.402 3.291 20 30 DGEDHN CC(C)(C#N)CCCOC(=O)CCN1CCc2ccccc2C1 ZINC000786824967 624956595 /nfs/dbraw/zinc/95/65/95/624956595.db2.gz ILARGAQEJFTTMB-UHFFFAOYSA-N 0 3 314.429 3.308 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccsc1C ZINC000786928329 624965222 /nfs/dbraw/zinc/96/52/22/624965222.db2.gz HXFLLKLEAIGXTA-AWEZNQCLSA-N 0 3 306.431 3.004 20 30 DGEDHN C#CCC1(O)CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000880479524 624965510 /nfs/dbraw/zinc/96/55/10/624965510.db2.gz WXOXYZCUSVBKIU-UHFFFAOYSA-N 0 3 309.862 3.282 20 30 DGEDHN C#CCC1(O)CCN(CCSc2cccc(Cl)c2)CC1 ZINC000880482481 624965513 /nfs/dbraw/zinc/96/55/13/624965513.db2.gz KIIWOIFQKXWOJI-UHFFFAOYSA-N 0 3 309.862 3.282 20 30 DGEDHN C#CCC1(O)CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000880479609 624965516 /nfs/dbraw/zinc/96/55/16/624965516.db2.gz SDKLGKBIAZYMSE-UHFFFAOYSA-N 0 3 314.816 3.238 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2cc(C#N)ccc2F)cn1 ZINC000880517744 624971215 /nfs/dbraw/zinc/97/12/15/624971215.db2.gz PYGIBAJTQPBAOH-DODVFSASSA-N 0 3 324.403 3.341 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000787065311 624975416 /nfs/dbraw/zinc/97/54/16/624975416.db2.gz GGEHRQIAVUYACT-CVEARBPZSA-N 0 3 312.413 3.180 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC1(C)C ZINC000787065314 624975419 /nfs/dbraw/zinc/97/54/19/624975419.db2.gz GGEHRQIAVUYACT-JKSUJKDBSA-N 0 3 312.413 3.180 20 30 DGEDHN CCC(CC)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073043 624975703 /nfs/dbraw/zinc/97/57/03/624975703.db2.gz NFYRJRPQCXEIER-INIZCTEOSA-N 0 3 300.402 3.180 20 30 DGEDHN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787075520 624976312 /nfs/dbraw/zinc/97/63/12/624976312.db2.gz ZJLMLFHLLDRFTR-OIISXLGYSA-N 0 3 312.413 3.180 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000787775007 625049039 /nfs/dbraw/zinc/04/90/39/625049039.db2.gz JPIUBTFZLOYXEO-KFWWJZLASA-N 0 3 309.454 3.256 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCCCC#N)cc1 ZINC000805855528 625061394 /nfs/dbraw/zinc/06/13/94/625061394.db2.gz JSIOJJBQTMACRQ-MRXNPFEDSA-N 0 3 311.385 3.370 20 30 DGEDHN C#CCC1(C(=O)N2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000788231602 625100084 /nfs/dbraw/zinc/10/00/84/625100084.db2.gz GBEHLASUVJJRFM-UHFFFAOYSA-N 0 3 316.489 3.437 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128733858 625179614 /nfs/dbraw/zinc/17/96/14/625179614.db2.gz SMZPOIJVEGJGOL-OAHLLOKOSA-N 0 3 310.353 3.420 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128733858 625179618 /nfs/dbraw/zinc/17/96/18/625179618.db2.gz SMZPOIJVEGJGOL-OAHLLOKOSA-N 0 3 310.353 3.420 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000880985933 625179975 /nfs/dbraw/zinc/17/99/75/625179975.db2.gz AOFPNLIZXOPNJX-ZDUSSCGKSA-N 0 3 318.396 3.000 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000788560965 625216641 /nfs/dbraw/zinc/21/66/41/625216641.db2.gz CWCPTRUVSSEOKO-VXGBXAGGSA-N 0 3 310.357 3.460 20 30 DGEDHN C[C@H](NCCCCC#N)c1nc(Br)ccc1F ZINC000788588964 625222157 /nfs/dbraw/zinc/22/21/57/625222157.db2.gz OWUZQHMEDUMXSG-VIFPVBQESA-N 0 3 300.175 3.328 20 30 DGEDHN C#C[C@@H](CCC)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000791013456 625737366 /nfs/dbraw/zinc/73/73/66/625737366.db2.gz DPUZNBXMSJWRBT-JKSUJKDBSA-N 0 3 321.490 3.232 20 30 DGEDHN N#CC(C(=O)C=C1CCSCC1)c1cnc2ccccc2n1 ZINC000792110556 625910818 /nfs/dbraw/zinc/91/08/18/625910818.db2.gz OJEYNGSFFAYZFB-CYBMUJFWSA-N 0 3 309.394 3.259 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc2cnn(C(C)C)c2nc1Cl ZINC000883138576 625941101 /nfs/dbraw/zinc/94/11/01/625941101.db2.gz IRBBGNMNMXUQNT-CQSZACIVSA-N 0 3 322.840 3.082 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2oc(=O)oc2c1 ZINC000883147320 625942381 /nfs/dbraw/zinc/94/23/81/625942381.db2.gz RHOZNSSTZQWWNM-INIZCTEOSA-N 0 3 320.348 3.425 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOC(C)(C)C)c1 ZINC000796786520 626082805 /nfs/dbraw/zinc/08/28/05/626082805.db2.gz DQHAUZVNMCJHTM-HNNXBMFYSA-N 0 3 316.401 3.238 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1csc(C)c1 ZINC000796791944 626083899 /nfs/dbraw/zinc/08/38/99/626083899.db2.gz DURJAMPSAHMTKF-GFCCVEGCSA-N 0 3 314.366 3.026 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000796815625 626085964 /nfs/dbraw/zinc/08/59/64/626085964.db2.gz FNZMYXAPVRIHMZ-WMLDXEAASA-N 0 3 310.401 3.258 20 30 DGEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000797549230 626152076 /nfs/dbraw/zinc/15/20/76/626152076.db2.gz XHZBLDPJSKDEQQ-NBMRYCAZSA-N 0 3 318.376 3.384 20 30 DGEDHN CCCCCCCS(=O)(=O)N(C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000799776454 626328305 /nfs/dbraw/zinc/32/83/05/626328305.db2.gz OTQMVNKCYGXYFD-CVEARBPZSA-N 0 3 318.527 3.091 20 30 DGEDHN Cc1cccc(CCCN2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000801551128 626409625 /nfs/dbraw/zinc/40/96/25/626409625.db2.gz KPSUPJKQDPYJJY-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C[C@H](C#N)OCCN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000801938284 626427036 /nfs/dbraw/zinc/42/70/36/626427036.db2.gz DAANMWIQMROISP-XLIONFOSSA-N 0 3 324.424 3.463 20 30 DGEDHN C[C@@H](C#N)OCCN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000802740306 626569112 /nfs/dbraw/zinc/56/91/12/626569112.db2.gz JDQUZJVAWAYPJU-LRDDRELGSA-N 0 3 304.390 3.495 20 30 DGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000802796884 626573617 /nfs/dbraw/zinc/57/36/17/626573617.db2.gz KXLSQJVIDFAIKL-WFASDCNBSA-N 0 3 320.820 3.491 20 30 DGEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc2n1CCCC2 ZINC000883216763 626612010 /nfs/dbraw/zinc/61/20/10/626612010.db2.gz WFTCHFPLKNRGHF-KRWDZBQOSA-N 0 3 310.445 3.282 20 30 DGEDHN CC(C)(C(=O)OCCN1CCCCC1)c1cc(F)cc(C#N)c1 ZINC000803925546 626652182 /nfs/dbraw/zinc/65/21/82/626652182.db2.gz RIOZBZNEIYTHSK-UHFFFAOYSA-N 0 3 318.392 3.004 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000883390265 626670894 /nfs/dbraw/zinc/67/08/94/626670894.db2.gz IRJKCULOQKVZTB-GJZGRUSLSA-N 0 3 317.351 3.310 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000883401797 626673670 /nfs/dbraw/zinc/67/36/70/626673670.db2.gz YRIRCQJXELWGOC-CQSZACIVSA-N 0 3 316.357 3.272 20 30 DGEDHN C=CCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)C(C)C ZINC000807440488 626756848 /nfs/dbraw/zinc/75/68/48/626756848.db2.gz RECNYVZCXLXFMP-CABCVRRESA-N 0 3 307.438 3.315 20 30 DGEDHN Cc1cccc(C(C)C)c1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047023 626810768 /nfs/dbraw/zinc/81/07/68/626810768.db2.gz ANIUVEVWCXZXON-XAUUPUKJSA-N 0 3 311.429 3.196 20 30 DGEDHN CC(C)CC[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)(C)C ZINC000884138735 626839894 /nfs/dbraw/zinc/83/98/94/626839894.db2.gz XDAGMZSVTAZWMD-BWRBCVJASA-N 0 3 319.493 3.093 20 30 DGEDHN C[C@H]1CCCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)c2ccccc21 ZINC000884316048 626863836 /nfs/dbraw/zinc/86/38/36/626863836.db2.gz ILUOANPCMHLVMT-DQLYFJKKSA-N 0 3 323.440 3.056 20 30 DGEDHN CCCCC[C@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884417532 626878100 /nfs/dbraw/zinc/87/81/00/626878100.db2.gz KIQJXIOASRHUKV-ISXWCOSWSA-N 0 3 317.477 3.087 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CCC2CC2)cc1 ZINC000135270414 626918786 /nfs/dbraw/zinc/91/87/86/626918786.db2.gz IXZMBDTYMLHTIP-INIZCTEOSA-N 0 3 313.445 3.362 20 30 DGEDHN C#Cc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1 ZINC000809608704 626925713 /nfs/dbraw/zinc/92/57/13/626925713.db2.gz QKDLIJHJSVPCNM-UHFFFAOYSA-N 0 3 301.393 3.203 20 30 DGEDHN C#C[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)C(C)(C)C ZINC000809781581 626952272 /nfs/dbraw/zinc/95/22/72/626952272.db2.gz WVOYCXPSGLSINS-MSOLQXFVSA-N 0 3 301.430 3.382 20 30 DGEDHN CC(C)(CO)[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000809993243 626966541 /nfs/dbraw/zinc/96/65/41/626966541.db2.gz UUSGRNWLVRTQIP-IBGZPJMESA-N 0 3 324.424 3.438 20 30 DGEDHN C[C@](O)(CNCc1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000810146073 626980706 /nfs/dbraw/zinc/98/07/06/626980706.db2.gz MXELFUJQGPFWQV-HNNXBMFYSA-N 0 3 324.302 3.167 20 30 DGEDHN Cc1ccc([C@H](O)CNCc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000810145491 626980710 /nfs/dbraw/zinc/98/07/10/626980710.db2.gz BVSIUMIKLYTBNT-CQSZACIVSA-N 0 3 324.302 3.302 20 30 DGEDHN CCCCCCCCC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885861598 627055109 /nfs/dbraw/zinc/05/51/09/627055109.db2.gz YLNAWOGTXKRTNW-KRWDZBQOSA-N 0 3 310.482 3.107 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCS[C@H](c3ccccc3)C2)CCC1 ZINC000886014034 627083601 /nfs/dbraw/zinc/08/36/01/627083601.db2.gz BFRAYRCTAWWPHN-SJORKVTESA-N 0 3 316.470 3.221 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCS[C@@H](c3ccccc3)C2)CCC1 ZINC000886014031 627083737 /nfs/dbraw/zinc/08/37/37/627083737.db2.gz BFRAYRCTAWWPHN-DLBZAZTESA-N 0 3 316.470 3.221 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCSC[C@@H]2c2ccccc2)CCC1 ZINC000886012347 627083872 /nfs/dbraw/zinc/08/38/72/627083872.db2.gz FNMINLFJTWEWPH-DLBZAZTESA-N 0 3 316.470 3.221 20 30 DGEDHN N#CC1(C[C@H](O)CN2CC[C@@H](c3c(F)cccc3F)C2)CCC1 ZINC000886138547 627110788 /nfs/dbraw/zinc/11/07/88/627110788.db2.gz NBRPLZOVFKIEJM-KGLIPLIRSA-N 0 3 320.383 3.199 20 30 DGEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)Cc2ccccc2O1 ZINC000886209509 627121454 /nfs/dbraw/zinc/12/14/54/627121454.db2.gz ODRPHENGLAXTAT-MRXNPFEDSA-N 0 3 314.429 3.104 20 30 DGEDHN N#CC1(C[C@@H](O)CNC2(c3ccccc3F)CCC2)CCC1 ZINC000886265783 627127812 /nfs/dbraw/zinc/12/78/12/627127812.db2.gz RNPMOXMJJYVJGR-CQSZACIVSA-N 0 3 302.393 3.239 20 30 DGEDHN C#CCN(C(=O)c1cc2ccccc2cc1F)C1CCN(C)CC1 ZINC000886572505 627165896 /nfs/dbraw/zinc/16/58/96/627165896.db2.gz OGVDOKIMZMGCDZ-UHFFFAOYSA-N 0 3 324.399 3.149 20 30 DGEDHN C#CCN(C(=O)c1ccc(C(C)(C)C)cc1)C1CCN(C)CC1 ZINC000886588962 627168802 /nfs/dbraw/zinc/16/88/02/627168802.db2.gz FBNRYPRDMUGKHQ-UHFFFAOYSA-N 0 3 312.457 3.154 20 30 DGEDHN Cc1nc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)[nH]c1C ZINC000886664649 627183624 /nfs/dbraw/zinc/18/36/24/627183624.db2.gz TZMAOIUEORSRDC-UHFFFAOYSA-N 0 3 312.392 3.417 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000811523205 627287861 /nfs/dbraw/zinc/28/78/61/627287861.db2.gz BNWGCVVYIRNPFC-QAPCUYQASA-N 0 3 324.424 3.049 20 30 DGEDHN CCCN1CCN(c2ccccc2C=NOC/C=C\Cl)CC1 ZINC000811668353 627304295 /nfs/dbraw/zinc/30/42/95/627304295.db2.gz FDUWRKCRKNXYDV-WYKNHTHOSA-N 0 3 321.852 3.322 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@](C)(OC)C2CC2)c([O-])c1 ZINC000812444454 627387132 /nfs/dbraw/zinc/38/71/32/627387132.db2.gz HGIWLJYANHNPPP-GEBKJHSDSA-N 0 3 304.434 3.472 20 30 DGEDHN COc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1C#N ZINC000812724876 627413546 /nfs/dbraw/zinc/41/35/46/627413546.db2.gz ORSJXCVADZLWKN-SFHVURJKSA-N 0 3 308.381 3.440 20 30 DGEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000812827663 627426622 /nfs/dbraw/zinc/42/66/22/627426622.db2.gz HQDATTVBVLSQEX-MRXNPFEDSA-N 0 3 323.799 3.363 20 30 DGEDHN C#CCOc1ccccc1CN[C@H]1CCN(c2ccccc2F)C1 ZINC000813791718 627512032 /nfs/dbraw/zinc/51/20/32/627512032.db2.gz IZQOBJDUHZUYEZ-KRWDZBQOSA-N 0 3 324.399 3.206 20 30 DGEDHN C[C@@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000815089848 627625187 /nfs/dbraw/zinc/62/51/87/627625187.db2.gz OCWYDEKHMWNRIU-MLGOLLRUSA-N 0 3 316.351 3.091 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000815118204 627630328 /nfs/dbraw/zinc/63/03/28/627630328.db2.gz LPZHVTXVWQTPFX-KRWDZBQOSA-N 0 3 324.465 3.102 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000924812847 627682875 /nfs/dbraw/zinc/68/28/75/627682875.db2.gz YCEOCNVYQPNUQH-STQMWFEESA-N 0 3 308.447 3.069 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)C#CC2CC2)cc1C(F)(F)F ZINC000924891010 627691331 /nfs/dbraw/zinc/69/13/31/627691331.db2.gz XSYIKJSYLZPXPJ-UHFFFAOYSA-N 0 3 310.319 3.119 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(OC2CCOCC2)c1 ZINC000925054302 627703874 /nfs/dbraw/zinc/70/38/74/627703874.db2.gz NMCKSWPHVZGIDV-CQSZACIVSA-N 0 3 317.433 3.057 20 30 DGEDHN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)CC(C)(C)C#N ZINC000925615022 627763034 /nfs/dbraw/zinc/76/30/34/627763034.db2.gz DKQMAUUQJVHIFB-CABCVRRESA-N 0 3 322.474 3.157 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)Nc1ccccc1CN1CCC(O)CC1 ZINC000925884531 627811941 /nfs/dbraw/zinc/81/19/41/627811941.db2.gz XULPJYCCHJDACK-HNNXBMFYSA-N 0 3 315.461 3.384 20 30 DGEDHN C#CCN1CCC[C@@H](N[C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000926867311 627966352 /nfs/dbraw/zinc/96/63/52/627966352.db2.gz JZJCZRKFLNHXSO-NHCUHLMSSA-N 0 3 319.452 3.167 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1SC(F)(F)F ZINC000818057451 627991017 /nfs/dbraw/zinc/99/10/17/627991017.db2.gz NLMQPNHXHFNUIS-VIFPVBQESA-N 0 3 317.336 3.258 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000818088516 627993998 /nfs/dbraw/zinc/99/39/98/627993998.db2.gz XGZPKVIIBHKNQK-SFHVURJKSA-N 0 3 323.396 3.225 20 30 DGEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000818595784 628040506 /nfs/dbraw/zinc/04/05/06/628040506.db2.gz NOXDMAUZKSGSRZ-UHFFFAOYSA-N 0 3 322.452 3.189 20 30 DGEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000818595627 628040580 /nfs/dbraw/zinc/04/05/80/628040580.db2.gz FMHBITPVXJDZKN-KRWDZBQOSA-N 0 3 314.473 3.375 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)ccc1SCC ZINC000818609364 628041943 /nfs/dbraw/zinc/04/19/43/628041943.db2.gz RKGNCRYCEANWFJ-UHFFFAOYSA-N 0 3 324.877 3.137 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000818612226 628042930 /nfs/dbraw/zinc/04/29/30/628042930.db2.gz ONFZGOVKVIYSDU-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)c1ccc(C#N)cc1 ZINC000818998428 628075586 /nfs/dbraw/zinc/07/55/86/628075586.db2.gz RMFGTUATMZQNMU-RBUKOAKNSA-N 0 3 322.408 3.267 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819739927 628184960 /nfs/dbraw/zinc/18/49/60/628184960.db2.gz LDDLVHFHMPQTKS-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819739927 628184962 /nfs/dbraw/zinc/18/49/62/628184962.db2.gz LDDLVHFHMPQTKS-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819739927 628184964 /nfs/dbraw/zinc/18/49/64/628184964.db2.gz LDDLVHFHMPQTKS-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819739927 628184966 /nfs/dbraw/zinc/18/49/66/628184966.db2.gz LDDLVHFHMPQTKS-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN Cc1cc(Br)cnc1N=NC1CN(C2CC2)C[C@H]1C ZINC000819828327 628194816 /nfs/dbraw/zinc/19/48/16/628194816.db2.gz ZCHVWUPDILXNFQ-SNVBAGLBSA-N 0 3 323.238 3.035 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000822498027 628457760 /nfs/dbraw/zinc/45/77/60/628457760.db2.gz UBMXBVIHZYFNGR-JKSUJKDBSA-N 0 3 323.396 3.154 20 30 DGEDHN O=C(C#Cc1cccs1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000824615684 628677734 /nfs/dbraw/zinc/67/77/34/628677734.db2.gz KNQSEPWIWYGVCG-GOSISDBHSA-N 0 3 324.449 3.053 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000824696720 628684713 /nfs/dbraw/zinc/68/47/13/628684713.db2.gz QQVLHDATIMXKPS-HNAYVOBHSA-N 0 3 310.397 3.143 20 30 DGEDHN C=C(C)CC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824743557 628688288 /nfs/dbraw/zinc/68/82/88/628688288.db2.gz GJYBBAKHISSRRH-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN COC(=O)C1(C#N)CCN(C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000824872024 628701979 /nfs/dbraw/zinc/70/19/79/628701979.db2.gz NJCCWUXPMUKJQT-QGZVFWFLSA-N 0 3 314.429 3.205 20 30 DGEDHN C#C[C@H](N[C@@H](C)CC(C)(C)CC(=O)OC)c1ccc(F)cc1 ZINC000825955358 628814943 /nfs/dbraw/zinc/81/49/43/628814943.db2.gz LDYJDOYLROIYRK-BBRMVZONSA-N 0 3 305.393 3.458 20 30 DGEDHN COCC1(C2CCC2)CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000827011702 628912568 /nfs/dbraw/zinc/91/25/68/628912568.db2.gz MGLMWPXKTOSLEQ-OAHLLOKOSA-N 0 3 314.429 3.226 20 30 DGEDHN C#C[C@H](NCc1ccc(C(F)(F)F)s1)C1CCOCC1 ZINC000827559789 628970866 /nfs/dbraw/zinc/97/08/66/628970866.db2.gz JJMIXVZGDHIFOV-LBPRGKRZSA-N 0 3 303.349 3.285 20 30 DGEDHN C#C[C@@H](NCc1cnc(-c2cccs2)s1)C1CCOCC1 ZINC000827565861 628971337 /nfs/dbraw/zinc/97/13/37/628971337.db2.gz PNJPWBVRRNENTF-CQSZACIVSA-N 0 3 318.467 3.390 20 30 DGEDHN C#C[C@@H](NCc1cnc(-c2ccccc2)s1)C1CCOCC1 ZINC000827570850 628971967 /nfs/dbraw/zinc/97/19/67/628971967.db2.gz SDVMKXSKIPPOKE-QGZVFWFLSA-N 0 3 312.438 3.328 20 30 DGEDHN C#C[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000827570325 628971985 /nfs/dbraw/zinc/97/19/85/628971985.db2.gz LUMFCCIVQOTUAR-KRWDZBQOSA-N 0 3 316.401 3.236 20 30 DGEDHN C#C[C@@H](NCc1cc(Br)cs1)C1CCOCC1 ZINC000827575293 628972735 /nfs/dbraw/zinc/97/27/35/628972735.db2.gz OPGIGWJBBMRJQR-CYBMUJFWSA-N 0 3 314.248 3.029 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000829773275 629190097 /nfs/dbraw/zinc/19/00/97/629190097.db2.gz BXPHNUOECKNURL-OKZBNKHCSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000829773647 629190307 /nfs/dbraw/zinc/19/03/07/629190307.db2.gz HSACWIQQXPUYRL-OKZBNKHCSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000829800426 629194788 /nfs/dbraw/zinc/19/47/88/629194788.db2.gz XYYJXMHCLOKFDF-JKSUJKDBSA-N 0 3 321.424 3.297 20 30 DGEDHN CO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000831332020 629363446 /nfs/dbraw/zinc/36/34/46/629363446.db2.gz DARSCVCXYHUXPG-HUUCEWRRSA-N 0 3 308.809 3.145 20 30 DGEDHN C#CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000834893690 629800434 /nfs/dbraw/zinc/80/04/34/629800434.db2.gz WHISDSMAZSCNGB-FQEVSTJZSA-N 0 3 302.377 3.347 20 30 DGEDHN C=C[C@](C)(CCOC)COC(=O)c1cccc(CN(C)C)c1 ZINC000835337545 629909497 /nfs/dbraw/zinc/90/94/97/629909497.db2.gz POYFDHMNQFXTNT-GOSISDBHSA-N 0 3 305.418 3.134 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC(C)C)c1 ZINC000835341479 629910376 /nfs/dbraw/zinc/91/03/76/629910376.db2.gz VAMQEDQZFNMIMA-INIZCTEOSA-N 0 3 300.402 3.146 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC(C)C)c1 ZINC000835341481 629910588 /nfs/dbraw/zinc/91/05/88/629910588.db2.gz VAMQEDQZFNMIMA-MRXNPFEDSA-N 0 3 300.402 3.146 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836919468 630186179 /nfs/dbraw/zinc/18/61/79/630186179.db2.gz JXMGWFOSLGJIHP-KRWDZBQOSA-N 0 3 312.457 3.016 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000837142188 630217453 /nfs/dbraw/zinc/21/74/53/630217453.db2.gz PGCPVCKSXMQLPK-QGZVFWFLSA-N 0 3 303.381 3.018 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000837373908 630249485 /nfs/dbraw/zinc/24/94/85/630249485.db2.gz MRQMVOBYPQIGFU-GOSISDBHSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCN(C)CCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000840759638 630356122 /nfs/dbraw/zinc/35/61/22/630356122.db2.gz YGOCWHHJWYOJAW-UHFFFAOYSA-N 0 3 303.475 3.052 20 30 DGEDHN c1ccc([C@@H]2CC(=NOC[C@@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841636476 630450634 /nfs/dbraw/zinc/45/06/34/630450634.db2.gz BUHWKCWGNGAGET-BEFAXECRSA-N 0 3 314.429 3.395 20 30 DGEDHN CC(=NN(C)C[C@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000841656560 630452067 /nfs/dbraw/zinc/45/20/67/630452067.db2.gz XCJHHESBEXNBGG-HNNXBMFYSA-N 0 3 303.450 3.104 20 30 DGEDHN N#CCOc1ccc(CN2CCC(OC3CCC3)CC2)cc1 ZINC000842161063 630500552 /nfs/dbraw/zinc/50/05/52/630500552.db2.gz LTPDDLFVLJBYRL-UHFFFAOYSA-N 0 3 300.402 3.122 20 30 DGEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842288899 630511307 /nfs/dbraw/zinc/51/13/07/630511307.db2.gz MLACNWAGNWJVGL-KBPBESRZSA-N 0 3 322.792 3.048 20 30 DGEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842287732 630511342 /nfs/dbraw/zinc/51/13/42/630511342.db2.gz DSSOCYHRLLDUMO-JKSUJKDBSA-N 0 3 314.385 3.072 20 30 DGEDHN C[C@H](CC#N)NCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000843290332 630642770 /nfs/dbraw/zinc/64/27/70/630642770.db2.gz QPRGWAGKEHTFCF-CQSZACIVSA-N 0 3 309.454 3.305 20 30 DGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000843422614 630656187 /nfs/dbraw/zinc/65/61/87/630656187.db2.gz OZSJBGIYINYQME-HNNXBMFYSA-N 0 3 319.408 3.048 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2cc(OC)c(OCC)c(OC)c2)C1 ZINC000843423614 630656255 /nfs/dbraw/zinc/65/62/55/630656255.db2.gz HFCQETDLQGHWNM-OAHLLOKOSA-N 0 3 317.429 3.338 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C2CCC2)C2CCCCC2)CC1 ZINC000843717083 630692811 /nfs/dbraw/zinc/69/28/11/630692811.db2.gz SXWWJSNWINYSFY-IBGZPJMESA-N 0 3 316.489 3.197 20 30 DGEDHN C#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000843969587 630705463 /nfs/dbraw/zinc/70/54/63/630705463.db2.gz QEFBMADGBKURIX-FQEVSTJZSA-N 0 3 318.420 3.387 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C(F)F)ccc2F)CC1 ZINC000844859164 630948140 /nfs/dbraw/zinc/94/81/40/630948140.db2.gz CLGVVHYZMCYVGP-UHFFFAOYSA-N 0 3 310.319 3.047 20 30 DGEDHN C#CCCCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000844964210 631012127 /nfs/dbraw/zinc/01/21/27/631012127.db2.gz NIBGHNPTNQYQHC-HXUWFJFHSA-N 0 3 312.457 3.351 20 30 DGEDHN C=CCOc1cccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000846006749 631205401 /nfs/dbraw/zinc/20/54/01/631205401.db2.gz LGADYDFMPCGEEV-HXUWFJFHSA-N 0 3 322.408 3.288 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846011021 631205683 /nfs/dbraw/zinc/20/56/83/631205683.db2.gz QOAPNUPCKLIMJC-KBPBESRZSA-N 0 3 309.454 3.352 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(NCC2(C#N)CCCC2)CC1 ZINC000846009709 631205785 /nfs/dbraw/zinc/20/57/85/631205785.db2.gz BXUWOGPZLNUJAX-UHFFFAOYSA-N 0 3 307.438 3.059 20 30 DGEDHN CC(C)=CC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847745482 631531631 /nfs/dbraw/zinc/53/16/31/631531631.db2.gz HZTVXYGWCAALJT-UHFFFAOYSA-N 0 3 312.413 3.302 20 30 DGEDHN C[C@@H](COC(=O)c1ccc(C2(C#N)CC2)cc1)N1CCCCC1 ZINC000847962866 631586716 /nfs/dbraw/zinc/58/67/16/631586716.db2.gz LBEMHIGRXFYTKY-HNNXBMFYSA-N 0 3 312.413 3.273 20 30 DGEDHN CCN(c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1)C(C)C ZINC000848407897 631655612 /nfs/dbraw/zinc/65/56/12/631655612.db2.gz WZAODCJYGGSXGN-KRWDZBQOSA-N 0 3 316.449 3.271 20 30 DGEDHN Brc1cc(N=NC2CCCN3CCCC[C@H]23)ccn1 ZINC000848408779 631655795 /nfs/dbraw/zinc/65/57/95/631655795.db2.gz ZTLDAVKPTJRGTG-CYBMUJFWSA-N 0 3 323.238 3.260 20 30 DGEDHN Brc1cncc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848408244 631655956 /nfs/dbraw/zinc/65/59/56/631655956.db2.gz ZBJDFBGDHFPKTD-CQSZACIVSA-N 0 3 323.238 3.260 20 30 DGEDHN O=[N+]([O-])c1cc(N=NC2CCCN3CCCC[C@@H]23)ccc1F ZINC000848408291 631655967 /nfs/dbraw/zinc/65/59/67/631655967.db2.gz IJVGUKJNTCBTNU-AWEZNQCLSA-N 0 3 306.341 3.150 20 30 DGEDHN COC(=O)c1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1F ZINC000848411644 631656936 /nfs/dbraw/zinc/65/69/36/631656936.db2.gz AWPGXAHLPIRZHY-INIZCTEOSA-N 0 3 319.380 3.029 20 30 DGEDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCC#N)c1[O-] ZINC000848543508 631686270 /nfs/dbraw/zinc/68/62/70/631686270.db2.gz GNRPJAKJDJNOBQ-VIFPVBQESA-N 0 3 313.195 3.118 20 30 DGEDHN N#CCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850120993 632061171 /nfs/dbraw/zinc/06/11/71/632061171.db2.gz MQIHXJKQDDAVGM-UHFFFAOYSA-N 0 3 317.392 3.434 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCC1CC(OC)C1 ZINC000850342355 632118948 /nfs/dbraw/zinc/11/89/48/632118948.db2.gz PTVZDSASSMSNDH-UHFFFAOYSA-N 0 3 307.821 3.257 20 30 DGEDHN Cn1c2ccc(CNC(C)(C)c3cccc(C#N)c3)cc2oc1=O ZINC000850355138 632123467 /nfs/dbraw/zinc/12/34/67/632123467.db2.gz GWXXMLCCJVOSKV-UHFFFAOYSA-N 0 3 321.380 3.028 20 30 DGEDHN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850584828 632202011 /nfs/dbraw/zinc/20/20/11/632202011.db2.gz SXSABXLLYQSWSP-KHYOSLBOSA-N 0 3 310.397 3.362 20 30 DGEDHN N#CC(C(=O)C1CC2(CC2(F)F)C1)c1nc2ccccc2[nH]1 ZINC000850738117 632209634 /nfs/dbraw/zinc/20/96/34/632209634.db2.gz FDGXLFMGUXQQTP-KGXJWFGYSA-N 0 3 301.296 3.175 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850978134 632275329 /nfs/dbraw/zinc/27/53/29/632275329.db2.gz MRZPTMHAKREDSV-DLBZAZTESA-N 0 3 324.424 3.324 20 30 DGEDHN C=CCN(CC[C@H]1COC(C)(C)O1)Cc1cccc([N+](=O)[O-])c1 ZINC000851738757 632480341 /nfs/dbraw/zinc/48/03/41/632480341.db2.gz QMYFGMGMBNTPMB-INIZCTEOSA-N 0 3 320.389 3.124 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000852098555 632553151 /nfs/dbraw/zinc/55/31/51/632553151.db2.gz QBNQFWLCYNNZOC-YWZLYKJASA-N 0 3 308.425 3.409 20 30 DGEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000852100556 632554256 /nfs/dbraw/zinc/55/42/56/632554256.db2.gz XXPYJEKRYYJESF-LPHOPBHVSA-N 0 3 300.446 3.204 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000852101947 632554975 /nfs/dbraw/zinc/55/49/75/632554975.db2.gz IQIZLYGBASPGEN-KSSFIOAISA-N 0 3 304.409 3.127 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000852101665 632555032 /nfs/dbraw/zinc/55/50/32/632555032.db2.gz GFJHUSMZYLBMIQ-RDJZCZTQSA-N 0 3 306.475 3.343 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852319878 632586738 /nfs/dbraw/zinc/58/67/38/632586738.db2.gz SURZUXNFMWSOGX-SWLSCSKDSA-N 0 3 312.335 3.364 20 30 DGEDHN C=CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@H](C)COC ZINC000852356589 632594591 /nfs/dbraw/zinc/59/45/91/632594591.db2.gz IVHZPUJGUPHOPX-IUODEOHRSA-N 0 3 317.351 3.262 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2scnc2C(C)(C)C)[C@H](C)C1 ZINC000943482113 660189165 /nfs/dbraw/zinc/18/91/65/660189165.db2.gz NJFWEQPZMUVIMR-OLZOCXBDSA-N 0 3 321.490 3.067 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C)c2Cl)[C@H](C)C1 ZINC000943674711 660196023 /nfs/dbraw/zinc/19/60/23/660196023.db2.gz JTWAWSGWROELGN-GDBMZVCRSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)[C@@H](C)C1 ZINC000944077625 660211453 /nfs/dbraw/zinc/21/14/53/660211453.db2.gz BYBYBDLLDCADCG-KXBFYZLASA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)[C@H](C)C1 ZINC000944097345 660212002 /nfs/dbraw/zinc/21/20/02/660212002.db2.gz GYANFPXYFOTQPN-UZLBHIALSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CCCC3)c2)[C@H](C)C1 ZINC000944097481 660212124 /nfs/dbraw/zinc/21/21/24/660212124.db2.gz HESNJRJKEHNVHG-UZLBHIALSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)[C@@H](C)C1 ZINC000944156743 660214408 /nfs/dbraw/zinc/21/44/08/660214408.db2.gz VYIINIZRDKPOBE-GXTWGEPZSA-N 0 3 304.459 3.252 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000944306528 660219927 /nfs/dbraw/zinc/21/99/27/660219927.db2.gz SEVQTXBFWYKIOC-SMDDNHRTSA-N 0 3 310.800 3.105 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000944620117 660226744 /nfs/dbraw/zinc/22/67/44/660226744.db2.gz QKLQCWJYGHEWGS-IAQYHMDHSA-N 0 3 310.800 3.105 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC000944699540 660229704 /nfs/dbraw/zinc/22/97/04/660229704.db2.gz HKMANMMEKVJFLD-OXQOHEQNSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@H](C)C1 ZINC000944443081 660223689 /nfs/dbraw/zinc/22/36/89/660223689.db2.gz FZJFFLYWPURUNR-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccc(F)cc23)[C@@H](C)C1 ZINC000944445227 660223744 /nfs/dbraw/zinc/22/37/44/660223744.db2.gz NSSDQZQQMCSLFY-LRDDRELGSA-N 0 3 316.376 3.198 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](C)C1 ZINC000944443082 660223763 /nfs/dbraw/zinc/22/37/63/660223763.db2.gz FZJFFLYWPURUNR-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](C)C1 ZINC000944787156 660232438 /nfs/dbraw/zinc/23/24/38/660232438.db2.gz BKDCJLFPZGVVHJ-WFASDCNBSA-N 0 3 306.475 3.245 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](C)C1 ZINC000944789970 660232664 /nfs/dbraw/zinc/23/26/64/660232664.db2.gz NHOPUHPAIYRNKS-GJZGRUSLSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000945063875 660239287 /nfs/dbraw/zinc/23/92/87/660239287.db2.gz WLVFHLPLJCEIAO-DNVCBOLYSA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c3occc32)[C@@H](C)C1 ZINC000945028560 660238648 /nfs/dbraw/zinc/23/86/48/660238648.db2.gz JOQBSXJAOWTNRZ-BLLLJJGKSA-N 0 3 316.376 3.198 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000945092260 660240791 /nfs/dbraw/zinc/24/07/91/660240791.db2.gz QCNCJEKDEJCITI-DOTOQJQBSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)[C@H](C)C1 ZINC000945332488 660249642 /nfs/dbraw/zinc/24/96/42/660249642.db2.gz COAFXTLPVDRQJY-ZBFHGGJFSA-N 0 3 312.413 3.367 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3ccsc32)C1 ZINC001015944864 660277484 /nfs/dbraw/zinc/27/74/84/660277484.db2.gz QDZMWXUWKFUXFY-CQSZACIVSA-N 0 3 300.427 3.282 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(NCc2nc(C)c(C)s2)CC1 ZINC000996876356 660296965 /nfs/dbraw/zinc/29/69/65/660296965.db2.gz LWEMBGPIXOVRIH-UHFFFAOYSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001032407277 660312485 /nfs/dbraw/zinc/31/24/85/660312485.db2.gz SNZVKIYIVSMIIB-OKYOBFRVSA-N 0 3 324.468 3.287 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2coc(C(F)F)c2)CC1 ZINC000997281720 660317795 /nfs/dbraw/zinc/31/77/95/660317795.db2.gz YSKRACLXZMZUNI-GFCCVEGCSA-N 0 3 324.371 3.071 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(CC)s2)CC1 ZINC000997214045 660315690 /nfs/dbraw/zinc/31/56/90/660315690.db2.gz OTQOVVDJRTUNIP-CQSZACIVSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000997435831 660324158 /nfs/dbraw/zinc/32/41/58/660324158.db2.gz DPQGYDHBUSCOIL-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)cc2C)CC1 ZINC000997407878 660324345 /nfs/dbraw/zinc/32/43/45/660324345.db2.gz BLIDVEXDEGPTCT-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C)c(C)s2)CC1 ZINC000997418562 660324874 /nfs/dbraw/zinc/32/48/74/660324874.db2.gz UUZSFUGASJEBDO-CQSZACIVSA-N 0 3 318.486 3.219 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)cc1Cl ZINC001032482119 660329215 /nfs/dbraw/zinc/32/92/15/660329215.db2.gz AIOGSJRHDWLGHC-HOTGVXAUSA-N 0 3 318.848 3.052 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000997585928 660334448 /nfs/dbraw/zinc/33/44/48/660334448.db2.gz ZCJCHKRQTJVCGM-FUHWJXTLSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2oc(CC)cc2C)CC1 ZINC000997837468 660346850 /nfs/dbraw/zinc/34/68/50/660346850.db2.gz 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C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034215960 660724501 /nfs/dbraw/zinc/72/45/01/660724501.db2.gz ZCNWTZVKANMSRZ-XMTFNYHQSA-N 0 3 302.462 3.136 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034226278 660725145 /nfs/dbraw/zinc/72/51/45/660725145.db2.gz PTOALBZAALWQDE-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC001034251740 660729616 /nfs/dbraw/zinc/72/96/16/660729616.db2.gz BDYZEAZLWHJVET-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001034267524 660730055 /nfs/dbraw/zinc/73/00/55/660730055.db2.gz WKLIBIFWYIHALX-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001034295184 660733383 /nfs/dbraw/zinc/73/33/83/660733383.db2.gz ADXKRECCSHNJIP-HNNXBMFYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001034347404 660741101 /nfs/dbraw/zinc/74/11/01/660741101.db2.gz YPQYHBQAVQOHSQ-CQSZACIVSA-N 0 3 306.475 3.182 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001034373464 660743060 /nfs/dbraw/zinc/74/30/60/660743060.db2.gz SMAWZSMCKZPVOL-GOSISDBHSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001034398628 660747438 /nfs/dbraw/zinc/74/74/38/660747438.db2.gz OWAHBBUNDFCKLK-KRWDZBQOSA-N 0 3 315.461 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001034447699 660752580 /nfs/dbraw/zinc/75/25/80/660752580.db2.gz JETXQMHDOJBOBH-HOTGVXAUSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001034413794 660750739 /nfs/dbraw/zinc/75/07/39/660750739.db2.gz QEDWDCLRNPITEV-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001034416977 660751298 /nfs/dbraw/zinc/75/12/98/660751298.db2.gz PJZPDXHBCLBCPV-KRWDZBQOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001034418558 660751321 /nfs/dbraw/zinc/75/13/21/660751321.db2.gz VIAFUENCFDXUSL-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034420075 660751523 /nfs/dbraw/zinc/75/15/23/660751523.db2.gz QORQMKSBZWWTQS-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034420073 660751563 /nfs/dbraw/zinc/75/15/63/660751563.db2.gz QORQMKSBZWWTQS-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001034444986 660752134 /nfs/dbraw/zinc/75/21/34/660752134.db2.gz OQCACJIAYWFBKR-GDBMZVCRSA-N 0 3 304.434 3.157 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001034444987 660752241 /nfs/dbraw/zinc/75/22/41/660752241.db2.gz OQCACJIAYWFBKR-GOEBONIOSA-N 0 3 304.434 3.157 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001034432587 660753267 /nfs/dbraw/zinc/75/32/67/660753267.db2.gz QVEZOJZTECWFJO-KOHRHEQBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CCCC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001034432115 660753348 /nfs/dbraw/zinc/75/33/48/660753348.db2.gz NJFJKUFDEZNWBY-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001034433705 660753382 /nfs/dbraw/zinc/75/33/82/660753382.db2.gz QEULLRJHXOZJJK-BHYGNILZSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034464647 660755120 /nfs/dbraw/zinc/75/51/20/660755120.db2.gz ARYGUVRPGCSJJE-HNNXBMFYSA-N 0 3 301.434 3.053 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001034451891 660756007 /nfs/dbraw/zinc/75/60/07/660756007.db2.gz YGKXAOILBGNHPT-SFHVURJKSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001034471162 660758528 /nfs/dbraw/zinc/75/85/28/660758528.db2.gz FLEBUHFLKIYJAJ-LJQANCHMSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001034511702 660764338 /nfs/dbraw/zinc/76/43/38/660764338.db2.gz QOLZJSAZJRYTDN-CQSZACIVSA-N 0 3 316.376 3.342 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001034513330 660764993 /nfs/dbraw/zinc/76/49/93/660764993.db2.gz ZKRBQJUUAVVKDE-OAHLLOKOSA-N 0 3 316.470 3.233 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001034514398 660765269 /nfs/dbraw/zinc/76/52/69/660765269.db2.gz JIURBXBYONYPBV-LJQANCHMSA-N 0 3 312.457 3.336 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001034513329 660765306 /nfs/dbraw/zinc/76/53/06/660765306.db2.gz ZKRBQJUUAVVKDE-HNNXBMFYSA-N 0 3 316.470 3.233 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001034548696 660772898 /nfs/dbraw/zinc/77/28/98/660772898.db2.gz RTUWJGVVHLSTKW-CJNGLKHVSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001034548716 660773245 /nfs/dbraw/zinc/77/32/45/660773245.db2.gz SJMBMDGDQAEYDA-QGZVFWFLSA-N 0 3 312.457 3.336 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](NCc3nccs3)CC2)C1 ZINC001034725325 660787179 /nfs/dbraw/zinc/78/71/79/660787179.db2.gz CILIEDYHXJAFRU-HDJSIYSDSA-N 0 3 319.474 3.016 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001035014819 660809267 /nfs/dbraw/zinc/80/92/67/660809267.db2.gz QLPQAXXVMXHUBS-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN CCCC(=O)N1CCC2(CCN(CC#Cc3ccccc3)C2)CC1 ZINC001035148908 660818226 /nfs/dbraw/zinc/81/82/26/660818226.db2.gz SSAJYINXKBHULA-UHFFFAOYSA-N 0 3 324.468 3.153 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1coc2cc(C)c(C)cc12 ZINC001038559352 660824087 /nfs/dbraw/zinc/82/40/87/660824087.db2.gz WZYJZUZHAVADKR-OAHLLOKOSA-N 0 3 312.413 3.430 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(C)coc1C)CC2 ZINC001035696902 660845278 /nfs/dbraw/zinc/84/52/78/660845278.db2.gz KVZBQBVVHAZGTQ-UHFFFAOYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[C@H]1C)CC2 ZINC001035713877 660846456 /nfs/dbraw/zinc/84/64/56/660846456.db2.gz YKNUYWRZBFDERZ-SJORKVTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC1(C)C)CC2 ZINC001035771098 660850402 /nfs/dbraw/zinc/85/04/02/660850402.db2.gz PWROSXPDQRMLMO-MRXNPFEDSA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1CCCCCCC1)CC2 ZINC001035749432 660851060 /nfs/dbraw/zinc/85/10/60/660851060.db2.gz OKAUJAPSLQLAMX-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc3ccccn3c1)CC2 ZINC001035809171 660854951 /nfs/dbraw/zinc/85/49/51/660854951.db2.gz KMIWMLKMBPBVHD-UHFFFAOYSA-N 0 3 323.440 3.053 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)c1c(C)cc(C)cc1C)CC2 ZINC001035848859 660856162 /nfs/dbraw/zinc/85/61/62/660856162.db2.gz MSKYFBUOUOBKRV-UHFFFAOYSA-N 0 3 324.468 3.173 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2coc(C(F)F)c2)CC1 ZINC000948722692 660949414 /nfs/dbraw/zinc/94/94/14/660949414.db2.gz XADHECMQVVDIQB-AWEZNQCLSA-N 0 3 324.371 3.167 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(Cl)c2F)CC1 ZINC001005921316 660949786 /nfs/dbraw/zinc/94/97/86/660949786.db2.gz SIZHWMCPTKTJFV-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2sc(CC)nc2C)CC1 ZINC001006128535 660965132 /nfs/dbraw/zinc/96/51/32/660965132.db2.gz SHFQGOYGCWSQLS-UHFFFAOYSA-N 0 3 321.490 3.126 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccc(F)cc23)C[C@H]1C ZINC000947975799 660959668 /nfs/dbraw/zinc/95/96/68/660959668.db2.gz QCHQFOWOKKVMPV-TZMCWYRMSA-N 0 3 316.376 3.341 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3cc(F)ccc3o2)CC1 ZINC001006075651 660961906 /nfs/dbraw/zinc/96/19/06/660961906.db2.gz PUZDXKMICONHOK-UHFFFAOYSA-N 0 3 316.376 3.294 20 30 DGEDHN CC(=NN[C@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000793115426 661005599 /nfs/dbraw/zinc/00/55/99/661005599.db2.gz MMVBPLYDMCZASN-OAHLLOKOSA-N 0 3 303.450 3.271 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cn2)C[C@@H]1Oc1ccccc1 ZINC000793558932 661045962 /nfs/dbraw/zinc/04/59/62/661045962.db2.gz WQERRYWMFNTNHM-MSOLQXFVSA-N 0 3 307.397 3.289 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cnn(CC)c2)c([O-])c1 ZINC000794677652 661098213 /nfs/dbraw/zinc/09/82/13/661098213.db2.gz XFRTXWYKISYXFX-LDADJPATSA-N 0 3 300.406 3.074 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000795328842 661140518 /nfs/dbraw/zinc/14/05/18/661140518.db2.gz IXAVUEQDYACDTJ-CRAIPNDOSA-N 0 3 324.399 3.377 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000795336153 661141258 /nfs/dbraw/zinc/14/12/58/661141258.db2.gz XVRNTTMFHMFMJM-QUCCMNQESA-N 0 3 318.420 3.016 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC000969112071 655523756 /nfs/dbraw/zinc/52/37/56/655523756.db2.gz XCGLHXQBAKUGAI-OAHLLOKOSA-N 0 3 304.434 3.311 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1sccc1OC ZINC000969121241 655525615 /nfs/dbraw/zinc/52/56/15/655525615.db2.gz FJPWCMCZRCYQKP-CQSZACIVSA-N 0 3 322.474 3.307 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC000969150258 655528403 /nfs/dbraw/zinc/52/84/03/655528403.db2.gz GLXCYBQALSBWRN-OAHLLOKOSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2C2CC2)C1 ZINC001020430710 655534326 /nfs/dbraw/zinc/53/43/26/655534326.db2.gz VYEWCGBOLNZJNK-VGWMRTNUSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2C2CC2)C1 ZINC001020430708 655534382 /nfs/dbraw/zinc/53/43/82/655534382.db2.gz VYEWCGBOLNZJNK-FPCVCCKLSA-N 0 3 310.869 3.192 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)C[C@@H]1C ZINC000947371054 655535019 /nfs/dbraw/zinc/53/50/19/655535019.db2.gz XUDSBHRHLKUSEA-IRXDYDNUSA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC000969570529 655551020 /nfs/dbraw/zinc/55/10/20/655551020.db2.gz SHBSXSDKSDNPCV-CQSZACIVSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3ccccc3nc2C)C1 ZINC000969783750 655557470 /nfs/dbraw/zinc/55/74/70/655557470.db2.gz ZFMBBFFBNBAUAL-CQSZACIVSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC000969830711 655559194 /nfs/dbraw/zinc/55/91/94/655559194.db2.gz RPVQNUIPNUYQFH-PBHICJAKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000969845027 655559964 /nfs/dbraw/zinc/55/99/64/655559964.db2.gz JCLKWAVJTKTYHI-IHXKFAGKSA-N 0 3 316.489 3.071 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC000969969611 655565783 /nfs/dbraw/zinc/56/57/83/655565783.db2.gz OKTIPDBZWWPWOG-BEFAXECRSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001020661075 655566914 /nfs/dbraw/zinc/56/69/14/655566914.db2.gz TWLPNGWYHFEPIH-JOCQHMNTSA-N 0 3 322.767 3.175 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(F)ccc2CC)C1 ZINC000970052262 655570647 /nfs/dbraw/zinc/57/06/47/655570647.db2.gz WENUOWYYYSGGKI-ZDUSSCGKSA-N 0 3 304.409 3.014 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001020965717 655583486 /nfs/dbraw/zinc/58/34/86/655583486.db2.gz XOTMBUIWYPQRNP-MGCOHNPYSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001021136623 655591534 /nfs/dbraw/zinc/59/15/34/655591534.db2.gz XODWMRSYXATWKA-SHTZXODSSA-N 0 3 318.848 3.016 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC000970518404 655604034 /nfs/dbraw/zinc/60/40/34/655604034.db2.gz KYHPQNDTNDICDN-HNNXBMFYSA-N 0 3 316.445 3.020 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C(CC)CC)C1 ZINC001039193487 655609993 /nfs/dbraw/zinc/60/99/93/655609993.db2.gz OCYWHGCKLMSSHU-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC001039205784 655613852 /nfs/dbraw/zinc/61/38/52/655613852.db2.gz ACGQCRQQPRBSQZ-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000970809434 655623771 /nfs/dbraw/zinc/62/37/71/655623771.db2.gz ACAGQSCIAVFJIW-LBPRGKRZSA-N 0 3 324.827 3.414 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCCCCC2)C1 ZINC001021679408 655654968 /nfs/dbraw/zinc/65/49/68/655654968.db2.gz NWPWAVLHJNDMPM-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000971072176 655657724 /nfs/dbraw/zinc/65/77/24/655657724.db2.gz YIIBQAXYFAIORI-QGZVFWFLSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C)cc2C)C1 ZINC001021727748 655664859 /nfs/dbraw/zinc/66/48/59/655664859.db2.gz OFDYNAUZEFAZIS-QUCCMNQESA-N 0 3 324.468 3.253 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971115368 655665151 /nfs/dbraw/zinc/66/51/51/655665151.db2.gz WTAFPWNFWCCISS-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CCC=CCC2)C1 ZINC001021742752 655669109 /nfs/dbraw/zinc/66/91/09/655669109.db2.gz NFMPEDWLBIPMRO-MOPGFXCFSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C3CC3)cc2)C1 ZINC001021744667 655669504 /nfs/dbraw/zinc/66/95/04/655669504.db2.gz XCOKSWOCLCBTPH-VQTJNVASSA-N 0 3 322.452 3.124 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C3CC3)cc2)C1 ZINC001021744666 655669567 /nfs/dbraw/zinc/66/95/67/655669567.db2.gz XCOKSWOCLCBTPH-UXHICEINSA-N 0 3 322.452 3.124 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCC(C)(C)CC2)C1 ZINC001021744253 655669579 /nfs/dbraw/zinc/66/95/79/655669579.db2.gz VYDKEHIDHNVAQH-ZWKOTPCHSA-N 0 3 316.489 3.149 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@@H]2C)cc1 ZINC000177898773 655674349 /nfs/dbraw/zinc/67/43/49/655674349.db2.gz HLUGSCJDFSEQNS-ULQDDVLXSA-N 0 3 313.445 3.361 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCC1 ZINC000933304602 655698791 /nfs/dbraw/zinc/69/87/91/655698791.db2.gz OSPOGLLKRXQHML-LBPRGKRZSA-N 0 3 322.355 3.151 20 30 DGEDHN C#CCC1(NCC(=O)Nc2cccc(C(F)(F)F)c2)CCC1 ZINC000933304188 655698834 /nfs/dbraw/zinc/69/88/34/655698834.db2.gz ZADDZRBGKCOGQC-UHFFFAOYSA-N 0 3 310.319 3.180 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000971715433 655722454 /nfs/dbraw/zinc/72/24/54/655722454.db2.gz HJSZQHJZCHDCGD-KZNAEPCWSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2-c2ccncc2)C1 ZINC000971786448 655726203 /nfs/dbraw/zinc/72/62/03/655726203.db2.gz HCIYSEVNWKXRBE-KRWDZBQOSA-N 0 3 321.424 3.081 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001022400295 655735657 /nfs/dbraw/zinc/73/56/57/655735657.db2.gz YXJZCSSNLZGEBH-LXTVHRRPSA-N 0 3 310.869 3.214 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001022400291 655735690 /nfs/dbraw/zinc/73/56/90/655735690.db2.gz YXJZCSSNLZGEBH-BARDWOONSA-N 0 3 310.869 3.214 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001022400293 655735804 /nfs/dbraw/zinc/73/58/04/655735804.db2.gz YXJZCSSNLZGEBH-LJISPDSOSA-N 0 3 310.869 3.214 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000971860715 655738924 /nfs/dbraw/zinc/73/89/24/655738924.db2.gz CYIQTAHZBDYSTR-NSHDSACASA-N 0 3 318.364 3.099 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000971883955 655741853 /nfs/dbraw/zinc/74/18/53/655741853.db2.gz CMINHXGBIVREAX-CQSZACIVSA-N 0 3 318.417 3.373 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2cc3ccccc3o2)C1 ZINC000971904989 655745298 /nfs/dbraw/zinc/74/52/98/655745298.db2.gz SGNHQJOSYSJROZ-MRXNPFEDSA-N 0 3 312.413 3.084 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001022533368 655747711 /nfs/dbraw/zinc/74/77/11/655747711.db2.gz WOHMQFKVVQQBFW-TXEJJXNPSA-N 0 3 312.866 3.015 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2F)C1 ZINC000972083352 655763614 /nfs/dbraw/zinc/76/36/14/655763614.db2.gz XRPGFRKXSPWUQJ-MRXNPFEDSA-N 0 3 318.436 3.113 20 30 DGEDHN CCC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972209184 655779287 /nfs/dbraw/zinc/77/92/87/655779287.db2.gz HBHOOZHOPFNINQ-KRWDZBQOSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000972227914 655780960 /nfs/dbraw/zinc/78/09/60/655780960.db2.gz OOLITLNCAMOSBN-XJKSGUPXSA-N 0 3 306.837 3.162 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001022769194 655783778 /nfs/dbraw/zinc/78/37/78/655783778.db2.gz IKWNIKRCEPBSGS-HUSMAVQQSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000972386503 655792797 /nfs/dbraw/zinc/79/27/97/655792797.db2.gz PPIAHLPJQDGRCC-INIZCTEOSA-N 0 3 310.397 3.279 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1cccs1 ZINC000069911057 655806286 /nfs/dbraw/zinc/80/62/86/655806286.db2.gz NZGVZSOEFSHJCM-AWEZNQCLSA-N 0 3 306.431 3.086 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001022989269 655806982 /nfs/dbraw/zinc/80/69/82/655806982.db2.gz CONHWIGWYYXZSX-CWRNSKLLSA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001023108481 655813287 /nfs/dbraw/zinc/81/32/87/655813287.db2.gz JTGHFECEOOJYCN-PHIMTYICSA-N 0 3 322.767 3.175 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC001023112599 655813408 /nfs/dbraw/zinc/81/34/08/655813408.db2.gz KVHWZTSPRGYFDV-TXEJJXNPSA-N 0 3 322.767 3.175 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001023146379 655815047 /nfs/dbraw/zinc/81/50/47/655815047.db2.gz STDYCXFEAZTDBC-IYBDPMFKSA-N 0 3 320.864 3.488 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3sc(C)cc3C)C[C@@H]21 ZINC001042074051 655824811 /nfs/dbraw/zinc/82/48/11/655824811.db2.gz CLRNMCYPJTYPSA-GJZGRUSLSA-N 0 3 304.459 3.087 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(Cl)c2C)C1 ZINC001023384960 655830758 /nfs/dbraw/zinc/83/07/58/655830758.db2.gz QTRZRVDHPVRWAO-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001023390090 655830983 /nfs/dbraw/zinc/83/09/83/655830983.db2.gz BVJATUUYWPNLBB-LBPRGKRZSA-N 0 3 312.866 3.338 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(CC(C)C)s2)C1 ZINC001023415132 655832800 /nfs/dbraw/zinc/83/28/00/655832800.db2.gz IUCZIDCIJAYJNY-OAHLLOKOSA-N 0 3 318.486 3.022 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001023481039 655836866 /nfs/dbraw/zinc/83/68/66/655836866.db2.gz ALGLTRVOCHBYEB-AWEZNQCLSA-N 0 3 314.385 3.167 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001023510502 655839011 /nfs/dbraw/zinc/83/90/11/655839011.db2.gz LYVIKNVAPVWTOT-MRXNPFEDSA-N 0 3 324.424 3.125 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@@H]1C ZINC000947564546 655839691 /nfs/dbraw/zinc/83/96/91/655839691.db2.gz QWFORYKQVJQOTJ-DOTOQJQBSA-N 0 3 310.441 3.088 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C[C@H]1C ZINC000947569381 655845912 /nfs/dbraw/zinc/84/59/12/655845912.db2.gz XEKWFZIWDIRUHE-UZLBHIALSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001023636666 655851241 /nfs/dbraw/zinc/85/12/41/655851241.db2.gz RIPCIXYNVIBQMC-CYBMUJFWSA-N 0 3 321.490 3.068 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001023699667 655856145 /nfs/dbraw/zinc/85/61/45/655856145.db2.gz HLWOWDHSDRBBKG-QGZVFWFLSA-N 0 3 324.468 3.419 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001023735320 655859947 /nfs/dbraw/zinc/85/99/47/655859947.db2.gz KXQJNABVOLMNDE-QGZVFWFLSA-N 0 3 324.468 3.031 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001023770156 655863928 /nfs/dbraw/zinc/86/39/28/655863928.db2.gz RLVAAGXAHQNDFQ-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC000972681443 655865047 /nfs/dbraw/zinc/86/50/47/655865047.db2.gz ZHFLGIALEQIMFU-DOTOQJQBSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC000972681444 655865098 /nfs/dbraw/zinc/86/50/98/655865098.db2.gz ZHFLGIALEQIMFU-NVXWUHKLSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC000972698863 655868575 /nfs/dbraw/zinc/86/85/75/655868575.db2.gz ZYEYVNRQZQMPJX-ZBFHGGJFSA-N 0 3 312.413 3.255 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC000972734383 655875315 /nfs/dbraw/zinc/87/53/15/655875315.db2.gz XWUFTJUEUKOCGE-MJGOQNOKSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000972786786 655882230 /nfs/dbraw/zinc/88/22/30/655882230.db2.gz STSKIBAEQXCBSN-CQSZACIVSA-N 0 3 312.335 3.038 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCOCC2CC2)c([O-])c1 ZINC000255678779 655889975 /nfs/dbraw/zinc/88/99/75/655889975.db2.gz MRWPLVJGLWHIEC-UYRXBGFRSA-N 0 3 304.434 3.474 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001024457643 655907355 /nfs/dbraw/zinc/90/73/55/655907355.db2.gz NUBVEPNZTKEEBE-SFHVURJKSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001024484950 655909853 /nfs/dbraw/zinc/90/98/53/655909853.db2.gz DRAFAQGHWQLSIX-CQSZACIVSA-N 0 3 321.852 3.204 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001024504036 655911266 /nfs/dbraw/zinc/91/12/66/655911266.db2.gz GFGJVSGQNUOHNK-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001024549197 655915928 /nfs/dbraw/zinc/91/59/28/655915928.db2.gz RMNRSTXIJXBBMN-INIZCTEOSA-N 0 3 311.429 3.100 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001024578196 655919548 /nfs/dbraw/zinc/91/95/48/655919548.db2.gz NQBUWCKZZIPTBH-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001024593360 655921613 /nfs/dbraw/zinc/92/16/13/655921613.db2.gz LHRULNHYUUGRBA-QGZVFWFLSA-N 0 3 316.420 3.050 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001024620952 655925314 /nfs/dbraw/zinc/92/53/14/655925314.db2.gz GMVSLVGDLPGPSB-SJLPKXTDSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001024625687 655925449 /nfs/dbraw/zinc/92/54/49/655925449.db2.gz RJEVWBRLUIVEBN-IBGZPJMESA-N 0 3 312.457 3.247 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001024669528 655929180 /nfs/dbraw/zinc/92/91/80/655929180.db2.gz HVCWBYYBDIESEU-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001024697358 655931484 /nfs/dbraw/zinc/93/14/84/655931484.db2.gz WVIVKWKBAWOIQG-OHTSDLOESA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001038311914 655932273 /nfs/dbraw/zinc/93/22/73/655932273.db2.gz QTLXPVZLQMVQNR-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024739277 655934266 /nfs/dbraw/zinc/93/42/66/655934266.db2.gz ZRIYBQBPKDWTNL-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001024737297 655934570 /nfs/dbraw/zinc/93/45/70/655934570.db2.gz HXUSGOQQIGALPJ-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001024761708 655935954 /nfs/dbraw/zinc/93/59/54/655935954.db2.gz JBVSARRWYZZDMX-MRXNPFEDSA-N 0 3 316.445 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001024785255 655938552 /nfs/dbraw/zinc/93/85/52/655938552.db2.gz GIFQFRWSSRHRAZ-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001024793761 655939712 /nfs/dbraw/zinc/93/97/12/655939712.db2.gz BIXULFDXAXCNRB-LJQANCHMSA-N 0 3 312.457 3.336 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001024816037 655942327 /nfs/dbraw/zinc/94/23/27/655942327.db2.gz AARNPRDBSKFHPJ-IBGZPJMESA-N 0 3 310.441 3.172 20 30 DGEDHN C#CCCCN[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000178058195 655953815 /nfs/dbraw/zinc/95/38/15/655953815.db2.gz SCPBYEHXUMCKRT-GFCCVEGCSA-N 0 3 302.809 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001025037732 655958080 /nfs/dbraw/zinc/95/80/80/655958080.db2.gz MUUHHYZIYUUGDK-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001025070091 655963456 /nfs/dbraw/zinc/96/34/56/655963456.db2.gz UKSSUJCSHPRZBP-MJGOQNOKSA-N 0 3 315.461 3.155 20 30 DGEDHN CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC001025146670 655970241 /nfs/dbraw/zinc/97/02/41/655970241.db2.gz RYBGLTVBFSNJLU-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001025193888 655975653 /nfs/dbraw/zinc/97/56/53/655975653.db2.gz YPLDJLODBWQWSI-OALUTQOASA-N 0 3 310.441 3.169 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025198365 655977775 /nfs/dbraw/zinc/97/77/75/655977775.db2.gz OSDYOBFWXBOQPS-CVEARBPZSA-N 0 3 302.418 3.233 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025214271 655979381 /nfs/dbraw/zinc/97/93/81/655979381.db2.gz XNKIOIITTGKUPO-CVEARBPZSA-N 0 3 320.477 3.023 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1csnc1C ZINC001025218553 655980576 /nfs/dbraw/zinc/98/05/76/655980576.db2.gz OKZFDPAAGCBHDB-CVEARBPZSA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001025228936 655982269 /nfs/dbraw/zinc/98/22/69/655982269.db2.gz DYHGJJFFNCSXAT-RTBURBONSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1ccc(C)cc1 ZINC001025248140 655984196 /nfs/dbraw/zinc/98/41/96/655984196.db2.gz VTFVPTNMWQBADF-UXHICEINSA-N 0 3 324.468 3.016 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025258490 655985033 /nfs/dbraw/zinc/98/50/33/655985033.db2.gz GTUAFKDLIPWMHJ-HZPDHXFCSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cccc(C)c1 ZINC001025264110 655986191 /nfs/dbraw/zinc/98/61/91/655986191.db2.gz WCBRFUUKYDUDQB-PMACEKPBSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)CC1 ZINC001025292663 655989281 /nfs/dbraw/zinc/98/92/81/655989281.db2.gz LEHFJJBYVYOTLJ-MKXGPGLRSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)ccc1C ZINC001025294013 655989657 /nfs/dbraw/zinc/98/96/57/655989657.db2.gz VZUITZVLRRQQEX-WOJBJXKFSA-N 0 3 324.468 3.396 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cscc2Cl)C1 ZINC001025451462 656015532 /nfs/dbraw/zinc/01/55/32/656015532.db2.gz QSOKYNMLEFMOGT-STQMWFEESA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC001025519797 656026398 /nfs/dbraw/zinc/02/63/98/656026398.db2.gz QDEOFTRYBZCSNC-ZBFHGGJFSA-N 0 3 314.429 3.011 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC)C1 ZINC001025519299 656027854 /nfs/dbraw/zinc/02/78/54/656027854.db2.gz MSBZHVLJVFVSGC-WMZOPIPTSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001025558958 656036610 /nfs/dbraw/zinc/03/66/10/656036610.db2.gz PWCOXNNWDIXDNK-XJKSGUPXSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001025592305 656041161 /nfs/dbraw/zinc/04/11/61/656041161.db2.gz NNVMDSIMWXESLT-OXJNMPFZSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC001025611188 656047035 /nfs/dbraw/zinc/04/70/35/656047035.db2.gz JXFUUSSZLDYKOQ-ZWKOTPCHSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC001025614122 656047481 /nfs/dbraw/zinc/04/74/81/656047481.db2.gz GPTUWDYRGHEBSY-CZUORRHYSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(Cl)s2)C1 ZINC001025614307 656048558 /nfs/dbraw/zinc/04/85/58/656048558.db2.gz JOEBYOVZMHZHQM-STQMWFEESA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025633612 656053006 /nfs/dbraw/zinc/05/30/06/656053006.db2.gz WYQCRHWYRPUKTR-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC001025636256 656053565 /nfs/dbraw/zinc/05/35/65/656053565.db2.gz YKXROGMELSSDGN-FUHWJXTLSA-N 0 3 324.468 3.029 20 30 DGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(CN(C)C)c1 ZINC000183109960 656110780 /nfs/dbraw/zinc/11/07/80/656110780.db2.gz KSGANWRBSZXPRP-AWEZNQCLSA-N 0 3 323.396 3.291 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C[C@H]1C ZINC000947672106 656113553 /nfs/dbraw/zinc/11/35/53/656113553.db2.gz QFSQWZWHPZFWFB-VQIMIIECSA-N 0 3 312.457 3.245 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)C[C@@H]1C ZINC000947684076 656136914 /nfs/dbraw/zinc/13/69/14/656136914.db2.gz FVWIFDSZFXXOJY-GOEBONIOSA-N 0 3 318.848 3.254 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C[C@H]1C ZINC000947685290 656144603 /nfs/dbraw/zinc/14/46/03/656144603.db2.gz MGSJMPNFNBEGSQ-ZBFHGGJFSA-N 0 3 318.848 3.254 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C[C@H]1C ZINC000947690204 656178045 /nfs/dbraw/zinc/17/80/45/656178045.db2.gz RXVCWRQTMQKLSU-GDBMZVCRSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000974588178 656215405 /nfs/dbraw/zinc/21/54/05/656215405.db2.gz PDEBNWJPQYXOFY-GBESFXJTSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C)c2F)C(C)(C)C1 ZINC000974622700 656218259 /nfs/dbraw/zinc/21/82/59/656218259.db2.gz QZVSEHVNIIFLLU-OAHLLOKOSA-N 0 3 304.409 3.150 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(C(C)C)c2)C(C)(C)C1 ZINC000974779139 656229055 /nfs/dbraw/zinc/22/90/55/656229055.db2.gz XQBFSCFSRASRDV-SFHVURJKSA-N 0 3 314.473 3.365 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC3(CC3)CC2)C(C)(C)C1 ZINC000974831203 656232510 /nfs/dbraw/zinc/23/25/10/656232510.db2.gz CQQYGTDRRZSCKG-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn(C(C)C)c2C)C(C)(C)C1 ZINC000974954626 656242690 /nfs/dbraw/zinc/24/26/90/656242690.db2.gz MDHONKDCPGJEAK-QGZVFWFLSA-N 0 3 317.477 3.394 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)c(C)c2)C(C)(C)C1 ZINC000975001549 656247369 /nfs/dbraw/zinc/24/73/69/656247369.db2.gz BPYDZNBOFDHADI-MRXNPFEDSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001008773699 656248234 /nfs/dbraw/zinc/24/82/34/656248234.db2.gz ZNENGFYXTUOYIK-BXWFABGCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(OC)c2C)C(C)(C)C1 ZINC000975079723 656254513 /nfs/dbraw/zinc/25/45/13/656254513.db2.gz BEELEONRSIMRKF-KRWDZBQOSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)C(C)(C)C1 ZINC000975093670 656257202 /nfs/dbraw/zinc/25/72/02/656257202.db2.gz HGYOYCPAZKDYKI-HNNXBMFYSA-N 0 3 324.827 3.495 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001009370176 656284141 /nfs/dbraw/zinc/28/41/41/656284141.db2.gz LGFJYZGUGDGLKE-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN C#CCOc1ccccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000066876571 656290534 /nfs/dbraw/zinc/29/05/34/656290534.db2.gz RNFFUVOSIWMEDK-UHFFFAOYSA-N 0 3 317.392 3.174 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2oc(C(C)C)nc2C)C(C)(C)C1 ZINC000977282319 656320271 /nfs/dbraw/zinc/32/02/71/656320271.db2.gz CSQLLIJVPYTXTO-CQSZACIVSA-N 0 3 319.449 3.123 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C(C)(C)C1 ZINC000977375415 656325295 /nfs/dbraw/zinc/32/52/95/656325295.db2.gz ZQHCMSZBUSSBDD-SJLPKXTDSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3ccncc32)C(C)(C)C1 ZINC000977419161 656328083 /nfs/dbraw/zinc/32/80/83/656328083.db2.gz DTMABWNXHIPPBP-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977491052 656334869 /nfs/dbraw/zinc/33/48/69/656334869.db2.gz CLCACERHLUURAE-KSZLIROESA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cnc(C3CC3)s2)C(C)(C)C1 ZINC000977497422 656336002 /nfs/dbraw/zinc/33/60/02/656336002.db2.gz WRSPCONPMDLAJS-CQSZACIVSA-N 0 3 319.474 3.037 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977561678 656343195 /nfs/dbraw/zinc/34/31/95/656343195.db2.gz BRLIZNGDTQXMJW-QGZVFWFLSA-N 0 3 300.446 3.320 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C(C)(C)C1 ZINC000977619597 656349713 /nfs/dbraw/zinc/34/97/13/656349713.db2.gz BTESGQMDWWBLGA-QGZVFWFLSA-N 0 3 311.429 3.103 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000977648367 656350975 /nfs/dbraw/zinc/35/09/75/656350975.db2.gz AAQSFUDUTHYQPD-UYSNPLJNSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3c2CCC3)C(C)(C)C1 ZINC000977643923 656351677 /nfs/dbraw/zinc/35/16/77/656351677.db2.gz XWRJPDGYXOGYDR-SFHVURJKSA-N 0 3 312.457 3.192 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001027599928 656371034 /nfs/dbraw/zinc/37/10/34/656371034.db2.gz STIBFAJCPBJBMT-SJLPKXTDSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2CCC(C3CC3)CC2)CC1 ZINC001006356161 661257536 /nfs/dbraw/zinc/25/75/36/661257536.db2.gz LTNWGVGCIRNFIR-UHFFFAOYSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(CCC)c(C)s2)C1 ZINC001027674298 656392879 /nfs/dbraw/zinc/39/28/79/656392879.db2.gz UXPNYQDCEQAZQZ-MRXNPFEDSA-N 0 3 318.486 3.179 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(CCC)c(C)s2)C1 ZINC001027674297 656393174 /nfs/dbraw/zinc/39/31/74/656393174.db2.gz UXPNYQDCEQAZQZ-INIZCTEOSA-N 0 3 318.486 3.179 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2CC(C)C)C1 ZINC001027698716 656399471 /nfs/dbraw/zinc/39/94/71/656399471.db2.gz PHWUREVEXMJOJW-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@H](NC(=O)C3=CCCC3)CC2)c1 ZINC001052301950 656426902 /nfs/dbraw/zinc/42/69/02/656426902.db2.gz BYAZFXHWUDMBCG-IBGZPJMESA-N 0 3 323.440 3.139 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001038800144 656434099 /nfs/dbraw/zinc/43/40/99/656434099.db2.gz GVDXKKGUMNXAKE-YESZJQIVSA-N 0 3 318.848 3.210 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccoc3C)C[C@@H]2C1 ZINC000979535059 656435120 /nfs/dbraw/zinc/43/51/20/656435120.db2.gz UWCZHVUGLCDFRQ-ZNMIVQPWSA-N 0 3 322.836 3.171 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cc(F)c3ccccc3c2)CC1 ZINC001052432733 656436386 /nfs/dbraw/zinc/43/63/86/656436386.db2.gz JODOONCDOPYGNB-KRWDZBQOSA-N 0 3 324.399 3.196 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2c(C)c(F)ccc2Cl)CC1 ZINC001052505859 656440156 /nfs/dbraw/zinc/44/01/56/656440156.db2.gz QTAXWVKYGJXUGL-ZDUSSCGKSA-N 0 3 322.811 3.005 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(C)=C3CCC3)C[C@H]2C1 ZINC000979671926 656441005 /nfs/dbraw/zinc/44/10/05/656441005.db2.gz HGDINJFFGAYUOM-YESZJQIVSA-N 0 3 322.880 3.456 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3ccccc3s2)CC1 ZINC001052534574 656442172 /nfs/dbraw/zinc/44/21/72/656442172.db2.gz MPNFUTDALCFCDC-OAHLLOKOSA-N 0 3 312.438 3.119 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3(C4CC4)CC3)C[C@@H]2C1 ZINC000980002136 656451657 /nfs/dbraw/zinc/45/16/57/656451657.db2.gz QCASLTJDQKTGKB-LZWOXQAQSA-N 0 3 322.880 3.146 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C(C2CCC2)C2CCC2)CC1 ZINC001052663819 656454190 /nfs/dbraw/zinc/45/41/90/656454190.db2.gz ZOZWFTWYDJRKKK-SFHVURJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001027902781 656472754 /nfs/dbraw/zinc/47/27/54/656472754.db2.gz VXWGQMBLJBKNAP-QGZVFWFLSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1scc(C)c1Cl ZINC001027903460 656474987 /nfs/dbraw/zinc/47/49/87/656474987.db2.gz GPZVILNGZHEACZ-LBPRGKRZSA-N 0 3 312.866 3.480 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000980281619 656477932 /nfs/dbraw/zinc/47/79/32/656477932.db2.gz NVFQKZKQORTBDA-LBPRGKRZSA-N 0 3 310.800 3.120 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC000980317971 656484322 /nfs/dbraw/zinc/48/43/22/656484322.db2.gz XULXGEUIJXLDFI-KGLIPLIRSA-N 0 3 318.486 3.205 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001039377223 656490261 /nfs/dbraw/zinc/49/02/61/656490261.db2.gz LTDJOMMKGNSYFA-XWTMOSNGSA-N 0 3 316.489 3.147 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001039393052 656492288 /nfs/dbraw/zinc/49/22/88/656492288.db2.gz OXUQMQRQKJIZOX-KSZLIROESA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000980358690 656492762 /nfs/dbraw/zinc/49/27/62/656492762.db2.gz RYBBDRDODBJKKG-LBPRGKRZSA-N 0 3 318.417 3.373 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001039403752 656493749 /nfs/dbraw/zinc/49/37/49/656493749.db2.gz NBRFYHJXBKXRQW-YYIAUSFCSA-N 0 3 304.478 3.310 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C(C)C ZINC001039421882 656498484 /nfs/dbraw/zinc/49/84/84/656498484.db2.gz WVNNJWQWRPVXTQ-CVEARBPZSA-N 0 3 315.461 3.393 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001039431546 656500742 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C=CCN1CC[C@H]2CCN(C(=O)C3(c4ccccc4C)CC3)C[C@H]21 ZINC001042379310 656769562 /nfs/dbraw/zinc/76/95/62/656769562.db2.gz JNLLUPJOGAVGPQ-PKOBYXMFSA-N 0 3 324.468 3.135 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3coc4ccccc34)C[C@H]21 ZINC001042379260 656769792 /nfs/dbraw/zinc/76/97/92/656769792.db2.gz IVOGTXHNCVRQCB-RHSMWYFYSA-N 0 3 310.397 3.155 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001052822894 656772277 /nfs/dbraw/zinc/77/22/77/656772277.db2.gz UVVWJRFJIDZFCL-GUDVDZBRSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CC3(c4ccccc4)CC3)C2)C1 ZINC000981805683 656774783 /nfs/dbraw/zinc/77/47/83/656774783.db2.gz BYZRSXDBXMGIJY-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)CC1 ZINC001052886603 656783418 /nfs/dbraw/zinc/78/34/18/656783418.db2.gz PHVNGJRPLHWHQM-LJQANCHMSA-N 0 3 306.409 3.057 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001052891653 656785063 /nfs/dbraw/zinc/78/50/63/656785063.db2.gz 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C=CCN1CCCC2(CN(C(=O)CC3CCCCCC3)C2)C1 ZINC000982036695 656872629 /nfs/dbraw/zinc/87/26/29/656872629.db2.gz NIPDILNNQPPFCO-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C34CCC(CC3)C4(C)C)C2)C1 ZINC000982058274 656878744 /nfs/dbraw/zinc/87/87/44/656878744.db2.gz PJSMTKKLACVZHP-UHFFFAOYSA-N 0 3 316.489 3.313 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000982069614 656884179 /nfs/dbraw/zinc/88/41/79/656884179.db2.gz BEXQXEOVDROLRO-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1CC(C)C1 ZINC001054036227 656887780 /nfs/dbraw/zinc/88/77/80/656887780.db2.gz FLVKSVIPXCBYMS-PPSBMQLTSA-N 0 3 312.457 3.152 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc[nH]c1 ZINC001054040814 656890345 /nfs/dbraw/zinc/89/03/45/656890345.db2.gz AOOAOAYDAMBMOR-IBGZPJMESA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001054055548 656894225 /nfs/dbraw/zinc/89/42/25/656894225.db2.gz NVGKIPPVWWCUAO-OALUTQOASA-N 0 3 324.468 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ZINC001001193753 657196000 /nfs/dbraw/zinc/19/60/00/657196000.db2.gz MDKMGUWMTIIXMW-UHFFFAOYSA-N 0 3 308.784 3.027 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001046683818 657203731 /nfs/dbraw/zinc/20/37/31/657203731.db2.gz MJXCWIHWLMVRAP-NSHGMRRFSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001046693408 657204769 /nfs/dbraw/zinc/20/47/69/657204769.db2.gz UBLUSRIDLSEPHG-FCEWJHQRSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001046707303 657206833 /nfs/dbraw/zinc/20/68/33/657206833.db2.gz RKMJOCRTEPEGHA-KRWDZBQOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC001001393996 657214400 /nfs/dbraw/zinc/21/44/00/657214400.db2.gz UWLRTSNQFZBODC-UHFFFAOYSA-N 0 3 324.346 3.253 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC001001436400 657220304 /nfs/dbraw/zinc/22/03/04/657220304.db2.gz YKSTXXHXOPMZCN-UHFFFAOYSA-N 0 3 323.440 3.333 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cc3ccccc3n2CC)CC1 ZINC001001461995 657223187 /nfs/dbraw/zinc/22/31/87/657223187.db2.gz CPDZWWLYDCRKCG-UHFFFAOYSA-N 0 3 323.440 3.209 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2cc(-c3ccccc3)co2)CC1 ZINC001001500962 657227871 /nfs/dbraw/zinc/22/78/71/657227871.db2.gz AMFRTFCLRORVKA-UHFFFAOYSA-N 0 3 322.408 3.495 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001046817057 657228858 /nfs/dbraw/zinc/22/88/58/657228858.db2.gz SLIKDZYGALGWIU-HXUWFJFHSA-N 0 3 323.440 3.314 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001028946299 657230361 /nfs/dbraw/zinc/23/03/61/657230361.db2.gz GIMRLMPOVJVQGY-MRXNPFEDSA-N 0 3 312.457 3.059 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001046823301 657230655 /nfs/dbraw/zinc/23/06/55/657230655.db2.gz IJKLWEIFGNVJDD-GOSISDBHSA-N 0 3 303.450 3.066 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2ccccc2CCC)CC1 ZINC001001611643 657233940 /nfs/dbraw/zinc/23/39/40/657233940.db2.gz SLPHQEFZHMTNCI-UHFFFAOYSA-N 0 3 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C=C(C)CN1C[C@H](NC(=O)Cc2cc(F)ccc2F)CC[C@H]1C ZINC001071776217 686749292 /nfs/dbraw/zinc/74/92/92/686749292.db2.gz OIHRKLDDKXYCRD-CZUORRHYSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)c(C)c2)CC[C@H]1C ZINC001071792411 686755543 /nfs/dbraw/zinc/75/55/43/686755543.db2.gz IYHFSOVVFORKEP-GDBMZVCRSA-N 0 3 318.848 3.254 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3[nH]ccc32)CC[C@H]1C ZINC001071835179 686764936 /nfs/dbraw/zinc/76/49/36/686764936.db2.gz LGLXJDZUCWKZEP-CABCVRRESA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)CC[C@H]1C ZINC001071844581 686769786 /nfs/dbraw/zinc/76/97/86/686769786.db2.gz PFWUZVYSRAVNQY-OCCSQVGLSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2scnc2C2CC2)CC[C@@H]1C ZINC001071883991 686781901 /nfs/dbraw/zinc/78/19/01/686781901.db2.gz VRXMOZUPJBJGGR-GXTWGEPZSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sc(CC)nc2C)CC[C@H]1C ZINC001071891145 686783695 /nfs/dbraw/zinc/78/36/95/686783695.db2.gz 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C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001076487706 687528987 /nfs/dbraw/zinc/52/89/87/687528987.db2.gz LIUPCHZKLPLEBR-XJKSGUPXSA-N 0 3 304.821 3.062 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)[C@@H]2C1 ZINC001076615909 687544168 /nfs/dbraw/zinc/54/41/68/687544168.db2.gz CXEUVLZUQYJUPH-RBUKOAKNSA-N 0 3 310.441 3.286 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3c(C)oc4ccccc43)[C@@H]2C1 ZINC001076650123 687546232 /nfs/dbraw/zinc/54/62/32/687546232.db2.gz QUATWWYIMSBDHA-MAUKXSAKSA-N 0 3 324.424 3.002 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2)C12CCC2 ZINC001078531405 687677157 /nfs/dbraw/zinc/67/71/57/687677157.db2.gz LZHBOWPXAIGKBX-CABCVRRESA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccsc2)C12CCC2 ZINC001078540953 687679541 /nfs/dbraw/zinc/67/95/41/687679541.db2.gz IWLLLIWOQUTNHF-OLZOCXBDSA-N 0 3 310.850 3.131 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)coc2C)C12CCC2 ZINC001078616922 687690028 /nfs/dbraw/zinc/69/00/28/687690028.db2.gz DGDJVAXKDFYIFE-UONOGXRCSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(F)CCCC2)C12CCC2 ZINC001078663916 687699543 /nfs/dbraw/zinc/69/95/43/687699543.db2.gz WGVPUARIAAYDJC-CHWSQXEVSA-N 0 3 314.832 3.038 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001079950125 687906611 /nfs/dbraw/zinc/90/66/11/687906611.db2.gz BVUNLYZABRZWOF-NXWXRZEISA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001080134882 687922583 /nfs/dbraw/zinc/92/25/83/687922583.db2.gz GTIUBVUMVLCAMB-DVOMOZLQSA-N 0 3 322.399 3.081 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001080202852 687929946 /nfs/dbraw/zinc/92/99/46/687929946.db2.gz TXAMDXCDFRGDQV-NVXWUHKLSA-N 0 3 318.505 3.299 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001080718764 688010058 /nfs/dbraw/zinc/01/00/58/688010058.db2.gz BDDARTNWCSIMGT-CRAIPNDOSA-N 0 3 300.446 3.436 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001080854752 688019556 /nfs/dbraw/zinc/01/95/56/688019556.db2.gz FJPCBWDVLIIFPX-MLGOLLRUSA-N 0 3 316.376 3.198 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001081008099 688033447 /nfs/dbraw/zinc/03/34/47/688033447.db2.gz XIZAXBGWIRLOAS-HDMKZQKVSA-N 0 3 300.446 3.436 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001081005501 688033627 /nfs/dbraw/zinc/03/36/27/688033627.db2.gz MTAKJMDELPGKEH-CHWSQXEVSA-N 0 3 321.490 3.067 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001081014131 688035363 /nfs/dbraw/zinc/03/53/63/688035363.db2.gz VKXBZSUCZAIMKE-SPNPKDGLSA-N 0 3 324.468 3.121 20 30 DGEDHN N[C@@H](CC(F)F)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001580122565 1192008168 /nfs/dbraw/zinc/00/81/68/1192008168.db2.gz WUSWANOQUNZGFG-HNNXBMFYSA-N 0 3 314.335 3.007 20 30 DGEDHN O=C([C@H]1C[NH2+]CCC12CCC2)N([O-])CCCCc1ccccc1 ZINC001580484959 1192029621 /nfs/dbraw/zinc/02/96/21/1192029621.db2.gz OBVQTWJPEXZFRZ-QGZVFWFLSA-N 0 3 316.445 3.007 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCOC1CCCCCC1 ZINC001690967827 1176047470 /nfs/dbraw/zinc/04/74/70/1176047470.db2.gz JDCFZWMFKDNERK-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1cnc(C)s1)C1CC1 ZINC001670528261 1176161696 /nfs/dbraw/zinc/16/16/96/1176161696.db2.gz NZKALGVWXPISLK-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)NC/C(Cl)=C/Cl)C1 ZINC001672208588 1176186072 /nfs/dbraw/zinc/18/60/72/1176186072.db2.gz FWPCTANHDRGGDR-KTELQUMVSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001670681653 1176215077 /nfs/dbraw/zinc/21/50/77/1176215077.db2.gz DLFWKRCREDZRDK-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001670681652 1176215761 /nfs/dbraw/zinc/21/57/61/1176215761.db2.gz DLFWKRCREDZRDK-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN(CC)CCNC(=O)C(C)(C)c1ccccc1Cl ZINC001691048417 1176265867 /nfs/dbraw/zinc/26/58/67/1176265867.db2.gz XORGQDICPPNNHV-UHFFFAOYSA-N 0 3 308.853 3.242 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001772541410 1176272983 /nfs/dbraw/zinc/27/29/83/1176272983.db2.gz XMONXIKFLYYGQB-CQSZACIVSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1cccc(C)c1 ZINC001691050848 1176277362 /nfs/dbraw/zinc/27/73/62/1176277362.db2.gz QHONAOPENLOQBP-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC1CC(F)(F)C1 ZINC001691052659 1176278878 /nfs/dbraw/zinc/27/88/78/1176278878.db2.gz DCPAJZOURAFCGU-CQSZACIVSA-N 0 3 314.420 3.167 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001691066991 1176290479 /nfs/dbraw/zinc/29/04/79/1176290479.db2.gz ZIUNIHXPMMPNCW-AWEZNQCLSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc(C)c(OC)c1 ZINC001691069923 1176293037 /nfs/dbraw/zinc/29/30/37/1176293037.db2.gz RNSAPESYQVLHFO-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCCCC)CCOCC1 ZINC001691069442 1176293121 /nfs/dbraw/zinc/29/31/21/1176293121.db2.gz YPZJMWHFDPHXJG-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001700061157 1176313854 /nfs/dbraw/zinc/31/38/54/1176313854.db2.gz QAUTWSKMHGHZQW-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001691108173 1176317093 /nfs/dbraw/zinc/31/70/93/1176317093.db2.gz CDHKMKLDGHEBQB-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001691143949 1176337703 /nfs/dbraw/zinc/33/77/03/1176337703.db2.gz CHCBMHYCDNTBNB-KOMQPUFPSA-N 0 3 318.848 3.128 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001691198297 1176380600 /nfs/dbraw/zinc/38/06/00/1176380600.db2.gz OZTYFZODOPYRJX-OAHLLOKOSA-N 0 3 320.864 3.295 20 30 DGEDHN C=CCN(CCNC(=O)c1oc2c(cccc2F)c1C)C1CC1 ZINC001691212962 1176395554 /nfs/dbraw/zinc/39/55/54/1176395554.db2.gz FTDWIZPPQZVQJR-UHFFFAOYSA-N 0 3 316.376 3.261 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@H](NCC1=CCCCC1)c1ccccc1 ZINC001691778815 1176404717 /nfs/dbraw/zinc/40/47/17/1176404717.db2.gz ZZMATIOJCRJWEW-QAPCUYQASA-N 0 3 311.429 3.094 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001691274669 1176419654 /nfs/dbraw/zinc/41/96/54/1176419654.db2.gz DDHSMEKITZLNCK-KRWDZBQOSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNCc1conc1C ZINC001691294200 1176428847 /nfs/dbraw/zinc/42/88/47/1176428847.db2.gz JJGKOMNYBHACCX-RHSMWYFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001691410805 1176474429 /nfs/dbraw/zinc/47/44/29/1176474429.db2.gz UHZGMZURPFHVJJ-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1C ZINC001691416363 1176475178 /nfs/dbraw/zinc/47/51/78/1176475178.db2.gz ILABGFOJKNFMNR-IEBWSBKVSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C1(CC)CCC(F)(F)CC1 ZINC001754314188 1176505780 /nfs/dbraw/zinc/50/57/80/1176505780.db2.gz MLZGXGSUCZVHAR-ZDUSSCGKSA-N 0 3 302.409 3.215 20 30 DGEDHN CC#CCCCC(=O)N(CCCc1ccccc1)CCN(C)C ZINC001597781567 1192747881 /nfs/dbraw/zinc/74/78/81/1192747881.db2.gz ROHYBYHNFLXPDI-UHFFFAOYSA-N 0 3 314.473 3.203 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)CCc1ccc(Cl)cc1 ZINC001731781778 1176635115 /nfs/dbraw/zinc/63/51/15/1176635115.db2.gz FGPHXGMYXUODNR-UHFFFAOYSA-N 0 3 308.853 3.143 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NC/C(Cl)=C/Cl)C1 ZINC001754787080 1176687976 /nfs/dbraw/zinc/68/79/76/1176687976.db2.gz GDBMTHUIDOAFGP-LSOFDGFXSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001754961118 1176714315 /nfs/dbraw/zinc/71/43/15/1176714315.db2.gz ITRIXRANOIUSAX-UITAMQMPSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001752308913 1176724477 /nfs/dbraw/zinc/72/44/77/1176724477.db2.gz SZMOOGOGQRGHTJ-IBGZPJMESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC2(OC)CCC2)CC1 ZINC001752433348 1176808617 /nfs/dbraw/zinc/80/86/17/1176808617.db2.gz HAWWNDPJUHMBBH-UHFFFAOYSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)[C@H](C)CC)CCCC1 ZINC001732233836 1176834303 /nfs/dbraw/zinc/83/43/03/1176834303.db2.gz BTYQSFWUXDIGLX-OCCSQVGLSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cccc(OC)c2)CC1 ZINC001670788144 1176843984 /nfs/dbraw/zinc/84/39/84/1176843984.db2.gz ALXCYOZKEKPOBK-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN N#Cc1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001620982857 1192769618 /nfs/dbraw/zinc/76/96/18/1192769618.db2.gz IEAHCCOOGKQMMW-UHFFFAOYSA-N 0 3 302.280 3.170 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001752533861 1176887055 /nfs/dbraw/zinc/88/70/55/1176887055.db2.gz AAGJHIIIZRWKOZ-VVLHAWIVSA-N 0 3 308.441 3.156 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001753765134 1176950757 /nfs/dbraw/zinc/95/07/57/1176950757.db2.gz CJLMLLGOMPZTEL-INIZCTEOSA-N 0 3 306.837 3.414 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001671039399 1177578439 /nfs/dbraw/zinc/57/84/39/1177578439.db2.gz MZQYSXCJNPPWGR-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](F)c1ccccc1 ZINC001691661810 1177603816 /nfs/dbraw/zinc/60/38/16/1177603816.db2.gz YNRQJARWKQBLNY-IAGOWNOFSA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001691674279 1177671445 /nfs/dbraw/zinc/67/14/45/1177671445.db2.gz BOAPPGMAQXHJNB-ZIAGYGMSSA-N 0 3 322.399 3.466 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001691680412 1177681255 /nfs/dbraw/zinc/68/12/55/1177681255.db2.gz QUMDISQVSAKRMU-ZBFHGGJFSA-N 0 3 306.475 3.492 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001691683870 1177685682 /nfs/dbraw/zinc/68/56/82/1177685682.db2.gz UJQDLHMZHGIZCX-SWLSCSKDSA-N 0 3 321.490 3.261 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)CC(C)C)C2)CC1 ZINC001691691087 1177689283 /nfs/dbraw/zinc/68/92/83/1177689283.db2.gz XRAKAOASZQORGI-ZWKOTPCHSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)CCCCC)C2)C1 ZINC001671084686 1177773393 /nfs/dbraw/zinc/77/33/93/1177773393.db2.gz FRNYWMQGJWJLDD-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](CC)c3ccccc3)C2)C1 ZINC001671084512 1177773506 /nfs/dbraw/zinc/77/35/06/1177773506.db2.gz BTTVXTBZRXOAQC-NQIIRXRSSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2sc(C)nc2C)C1 ZINC001691867026 1177779518 /nfs/dbraw/zinc/77/95/18/1177779518.db2.gz LHLXPHYMPQXKCH-HNNXBMFYSA-N 0 3 321.490 3.263 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cc1ccsc1 ZINC001672921269 1177860047 /nfs/dbraw/zinc/86/00/47/1177860047.db2.gz PDDJCLBQGFFFAI-UHFFFAOYSA-N 0 3 314.454 3.225 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C3CC3)on2)C1 ZINC001691857977 1177877455 /nfs/dbraw/zinc/87/74/55/1177877455.db2.gz YYKVRPDERBGGTI-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(N(C)Cc2cnc(C)o2)CC1 ZINC001331040204 1178120599 /nfs/dbraw/zinc/12/05/99/1178120599.db2.gz WVDUHPCKHLIEFE-OAHLLOKOSA-N 0 3 319.449 3.008 20 30 DGEDHN CCNc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC001331381103 1178199840 /nfs/dbraw/zinc/19/98/40/1178199840.db2.gz PGGZOXYDXVTJRI-MJBXVCDLSA-N 0 3 314.433 3.190 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2ccsc2)CC1 ZINC001331548480 1178242350 /nfs/dbraw/zinc/24/23/50/1178242350.db2.gz QQIRZTPFSXBOOX-AWEZNQCLSA-N 0 3 306.475 3.431 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)[C@H]1C ZINC001331896183 1178299840 /nfs/dbraw/zinc/29/98/40/1178299840.db2.gz KWFWBUOQJPDOEO-CXAGYDPISA-N 0 3 322.399 3.400 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@H]1C ZINC001331896186 1178300552 /nfs/dbraw/zinc/30/05/52/1178300552.db2.gz KWFWBUOQJPDOEO-DYVFJYSZSA-N 0 3 322.399 3.400 20 30 DGEDHN CC(C)CCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001331953151 1178317948 /nfs/dbraw/zinc/31/79/48/1178317948.db2.gz FWQIBCPYXFVSCU-MJGOQNOKSA-N 0 3 312.457 3.053 20 30 DGEDHN COc1ccc2c(c1)CC[C@H]2NCc1cccc(OCC#N)c1 ZINC001331972485 1178323966 /nfs/dbraw/zinc/32/39/66/1178323966.db2.gz MVVBZEKNLPSBMV-LJQANCHMSA-N 0 3 308.381 3.375 20 30 DGEDHN CC(C)=CC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001332066517 1178349297 /nfs/dbraw/zinc/34/92/97/1178349297.db2.gz APMANFXMPAQYCY-AZUAARDMSA-N 0 3 323.440 3.138 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H](C)c3ccccc3)CCC[C@H]12 ZINC001332115759 1178362482 /nfs/dbraw/zinc/36/24/82/1178362482.db2.gz FWQVFTLZEXLFCB-HFSMHLIXSA-N 0 3 324.468 3.317 20 30 DGEDHN CC1(CC(=O)N2C[C@@H](NCC#Cc3ccccc3)C(C)(C)C2)CC1 ZINC001332405652 1178437864 /nfs/dbraw/zinc/43/78/64/1178437864.db2.gz VMOCWHSOQHVAMG-GOSISDBHSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC001332735370 1178486682 /nfs/dbraw/zinc/48/66/82/1178486682.db2.gz MSTXNPGSSPGKBW-ROUUACIJSA-N 0 3 324.509 3.183 20 30 DGEDHN CCC(=O)N[C@H](CNCC#Cc1ccc(Cl)cc1)C(C)(C)C ZINC001332753120 1178490972 /nfs/dbraw/zinc/49/09/72/1178490972.db2.gz JPDIZOPPULJUII-MRXNPFEDSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1cnoc1C)C(C)(C)C ZINC001332806747 1178501559 /nfs/dbraw/zinc/50/15/59/1178501559.db2.gz HFIZMPLSYDEKTI-OAHLLOKOSA-N 0 3 321.465 3.206 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001333004906 1178539008 /nfs/dbraw/zinc/53/90/08/1178539008.db2.gz OJLBWUXMALAEGJ-DOTOQJQBSA-N 0 3 306.494 3.299 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333048488 1178546448 /nfs/dbraw/zinc/54/64/48/1178546448.db2.gz HUMMBLNAPIZVDX-IVMQYODDSA-N 0 3 312.457 3.053 20 30 DGEDHN C[C@H](NCCN1c2ccccc2CC[C@@H]1C)c1cc(C#N)ccn1 ZINC001333149628 1178564120 /nfs/dbraw/zinc/56/41/20/1178564120.db2.gz LHISRZMIXJVKEN-HOTGVXAUSA-N 0 3 320.440 3.445 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@]23C[C@H]2CCCC3)c(F)c1 ZINC001333478938 1178611595 /nfs/dbraw/zinc/61/15/95/1178611595.db2.gz GAFYVAGIAMGSCR-VQIMIIECSA-N 0 3 316.420 3.298 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001341464799 1179012344 /nfs/dbraw/zinc/01/23/44/1179012344.db2.gz GFBGFNUEAUBQPG-HOTGVXAUSA-N 0 3 320.864 3.499 20 30 DGEDHN Cc1ccc(C)c(C2CCN(C(=O)[C@H](N)CCCC#N)CC2)c1 ZINC001341513466 1179021345 /nfs/dbraw/zinc/02/13/45/1179021345.db2.gz DBQSEDFTKDARMH-GOSISDBHSA-N 0 3 313.445 3.031 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccccc1Cl ZINC001342166693 1179112518 /nfs/dbraw/zinc/11/25/18/1179112518.db2.gz QZURSIATVJVHPH-ZDUSSCGKSA-N 0 3 301.777 3.273 20 30 DGEDHN Cc1ccccc1[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC001342716033 1179177772 /nfs/dbraw/zinc/17/77/72/1179177772.db2.gz HAZPLAASRBKAOM-WMLDXEAASA-N 0 3 312.413 3.256 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(C(N)=O)cc1C ZINC001342824648 1179193976 /nfs/dbraw/zinc/19/39/76/1179193976.db2.gz YQPYAZQEZXHZCC-OAHLLOKOSA-N 0 3 319.449 3.110 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC001343263661 1179249980 /nfs/dbraw/zinc/24/99/80/1179249980.db2.gz ZIJKAFUYHOJGOJ-HNNXBMFYSA-N 0 3 300.406 3.239 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnn(C3CCCCC3)c2)nc(C)n1 ZINC001343442987 1179276433 /nfs/dbraw/zinc/27/64/33/1179276433.db2.gz OSSQMGLHFZHIKY-INIZCTEOSA-N 0 3 323.400 3.285 20 30 DGEDHN CC(C)C1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)COC1 ZINC001343473497 1179281261 /nfs/dbraw/zinc/28/12/61/1179281261.db2.gz OZUZTHSSDYFVDR-NSHDSACASA-N 0 3 306.431 3.289 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC001343530204 1179292432 /nfs/dbraw/zinc/29/24/32/1179292432.db2.gz HXVVMIXZWYCOFQ-QWHCGFSZSA-N 0 3 319.474 3.490 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001344590531 1179455149 /nfs/dbraw/zinc/45/51/49/1179455149.db2.gz PHUHZYVPUPXVCZ-OAHLLOKOSA-N 0 3 317.433 3.198 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1c(C)noc1C ZINC001479819796 1179468249 /nfs/dbraw/zinc/46/82/49/1179468249.db2.gz IQRUSVHBWNAOIO-RHSMWYFYSA-N 0 3 319.449 3.117 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1cc(C)cc(C)c1 ZINC001345646786 1179586212 /nfs/dbraw/zinc/58/62/12/1179586212.db2.gz ONUOMSNUCBZNEZ-INIZCTEOSA-N 0 3 311.385 3.165 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ncc(Cl)n2C)cc(C)c1C#N ZINC001346088387 1179650634 /nfs/dbraw/zinc/65/06/34/1179650634.db2.gz WTTFYKVPBGAUMZ-ZDUSSCGKSA-N 0 3 312.760 3.052 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cccc(C(F)F)c1F ZINC001346096785 1179652996 /nfs/dbraw/zinc/65/29/96/1179652996.db2.gz USUIFSLPKAXVGI-NSHDSACASA-N 0 3 307.275 3.470 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1ccc(Cl)c(F)c1 ZINC001346537441 1179717791 /nfs/dbraw/zinc/71/77/91/1179717791.db2.gz LOGAQGADWLLGQP-LLVKDONJSA-N 0 3 305.740 3.022 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cn(C)nc1C(F)F ZINC001346656843 1179730909 /nfs/dbraw/zinc/73/09/09/1179730909.db2.gz GRVWYSDZPKDZBY-NSHDSACASA-N 0 3 316.396 3.374 20 30 DGEDHN C=CC[C@H]1CC[C@@H]([NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001602824117 1192998932 /nfs/dbraw/zinc/99/89/32/1192998932.db2.gz NVCLUDGXRJSDBF-XJKSGUPXSA-N 0 3 309.417 3.190 20 30 DGEDHN C=CC[C@H]1CC[C@@H]([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001602824117 1192998934 /nfs/dbraw/zinc/99/89/34/1192998934.db2.gz NVCLUDGXRJSDBF-XJKSGUPXSA-N 0 3 309.417 3.190 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602834363 1192999625 /nfs/dbraw/zinc/99/96/25/1192999625.db2.gz QXYXVSIWXYGZMX-DYVFJYSZSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602834363 1192999628 /nfs/dbraw/zinc/99/96/28/1192999628.db2.gz QXYXVSIWXYGZMX-DYVFJYSZSA-N 0 3 311.433 3.058 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1)Cc1ccccc1-c1nnn[n-]1 ZINC001602859818 1193000713 /nfs/dbraw/zinc/00/07/13/1193000713.db2.gz LWTSTFBALLBHCN-UHFFFAOYSA-N 0 3 305.385 3.055 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1-c1nnn[n-]1 ZINC001602859818 1193000714 /nfs/dbraw/zinc/00/07/14/1193000714.db2.gz LWTSTFBALLBHCN-UHFFFAOYSA-N 0 3 305.385 3.055 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1)Cc1ccccc1-c1nn[n-]n1 ZINC001602859818 1193000716 /nfs/dbraw/zinc/00/07/16/1193000716.db2.gz LWTSTFBALLBHCN-UHFFFAOYSA-N 0 3 305.385 3.055 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1-c1nn[n-]n1 ZINC001602859818 1193000718 /nfs/dbraw/zinc/00/07/18/1193000718.db2.gz LWTSTFBALLBHCN-UHFFFAOYSA-N 0 3 305.385 3.055 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001350354512 1180058784 /nfs/dbraw/zinc/05/87/84/1180058784.db2.gz RGPMDKWAEIUDTB-FFSVYQOJSA-N 0 3 322.355 3.377 20 30 DGEDHN N#Cc1cncc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC001351174817 1180182758 /nfs/dbraw/zinc/18/27/58/1180182758.db2.gz AEBCFPVPOIYEBL-KXBFYZLASA-N 0 3 307.397 3.211 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@@H]1CCN(CC)C[C@@H]1O ZINC001100083187 1180366271 /nfs/dbraw/zinc/36/62/71/1180366271.db2.gz OIQPGCLSWYTFDQ-SJORKVTESA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001100087056 1180368853 /nfs/dbraw/zinc/36/88/53/1180368853.db2.gz FJQRHXBIUXGJCI-ROUUACIJSA-N 0 3 324.509 3.255 20 30 DGEDHN C#CCCCCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200155214 1180412699 /nfs/dbraw/zinc/41/26/99/1180412699.db2.gz BIMFSFWOZIQKOV-QBFSEMIESA-N 0 3 317.260 3.080 20 30 DGEDHN C[C@H](CNC(=O)C=C1CCCCC1)NCc1ccc(C#N)s1 ZINC001480433062 1180440501 /nfs/dbraw/zinc/44/05/01/1180440501.db2.gz MHLZTOLHANRNNS-CYBMUJFWSA-N 0 3 317.458 3.105 20 30 DGEDHN CCCCCCCCCNC(=S)N1CCN2CCC1CC2 ZINC001200376245 1180587386 /nfs/dbraw/zinc/58/73/86/1180587386.db2.gz WKTAYOBMFOSBKQ-UHFFFAOYSA-N 0 3 311.539 3.392 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2cccc(F)c2F)C1 ZINC001100371078 1180623796 /nfs/dbraw/zinc/62/37/96/1180623796.db2.gz OPVQMFDVDKNEBV-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2ccc(F)cc2F)C1 ZINC001100371093 1180624087 /nfs/dbraw/zinc/62/40/87/1180624087.db2.gz PGHBHCPHGMBELN-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C[C@@H](C#N)c1ccc(NC(=S)NCCN2CCCCC2)cc1 ZINC001200430197 1180635494 /nfs/dbraw/zinc/63/54/94/1180635494.db2.gz KABAPOBWKQHGJL-AWEZNQCLSA-N 0 3 316.474 3.086 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001100464587 1180709621 /nfs/dbraw/zinc/70/96/21/1180709621.db2.gz CDQUDGNHQLUMQM-OPFPJEHXSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100645126 1180885761 /nfs/dbraw/zinc/88/57/61/1180885761.db2.gz VHCQASDDADYNGI-KOHJWAIASA-N 0 3 319.276 3.392 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100644668 1180885915 /nfs/dbraw/zinc/88/59/15/1180885915.db2.gz BLBDEXRJZQWJJQ-KVULBXGLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200783575 1180905047 /nfs/dbraw/zinc/90/50/47/1180905047.db2.gz SEUGYUQXGUWDGV-ZRDIBKRKSA-N 0 3 319.276 3.488 20 30 DGEDHN C[C@@H]1C[C@@H](NN=Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001356021974 1181127008 /nfs/dbraw/zinc/12/70/08/1181127008.db2.gz BSSYGCBPWQHBJI-SCAQPMJSSA-N 0 3 301.434 3.166 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 ZINC001357546205 1181407387 /nfs/dbraw/zinc/40/73/87/1181407387.db2.gz QLWSYUZMWUZVRL-OAHLLOKOSA-N 0 3 312.417 3.111 20 30 DGEDHN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2cccc(F)n2)nc1 ZINC001357660972 1181416861 /nfs/dbraw/zinc/41/68/61/1181416861.db2.gz CKKMFSWDVDCUAG-LBPRGKRZSA-N 0 3 313.332 3.283 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(SC)CC1 ZINC001357967660 1181439986 /nfs/dbraw/zinc/43/99/86/1181439986.db2.gz ZNSUXODRNOOYKS-OAHLLOKOSA-N 0 3 300.512 3.418 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc21 ZINC001358296533 1181475311 /nfs/dbraw/zinc/47/53/11/1181475311.db2.gz OHPWMNMVEIHOIE-KRWDZBQOSA-N 0 3 312.417 3.068 20 30 DGEDHN Cc1cccnc1[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC001358453207 1181495799 /nfs/dbraw/zinc/49/57/99/1181495799.db2.gz ONLYCSKOSHQGOS-HOCLYGCPSA-N 0 3 316.449 3.005 20 30 DGEDHN COC(=O)C[C@@H](NCC#Cc1ccccc1Cl)C(C)(C)C ZINC001473826343 1181581356 /nfs/dbraw/zinc/58/13/56/1181581356.db2.gz PEULWXMZUSPGPT-OAHLLOKOSA-N 0 3 307.821 3.259 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccccc2)CCCC1 ZINC001421847129 1181761324 /nfs/dbraw/zinc/76/13/24/1181761324.db2.gz QABFXKPEYXQHCH-UHFFFAOYSA-N 0 3 306.837 3.000 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001448872430 1182217544 /nfs/dbraw/zinc/21/75/44/1182217544.db2.gz AAEQWDMRTDHWHR-DOTOQJQBSA-N 0 3 318.461 3.302 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2ccccc2CC#N)c(F)c1 ZINC001451392068 1182268837 /nfs/dbraw/zinc/26/88/37/1182268837.db2.gz ONQLNOHCWAZVGQ-UHFFFAOYSA-N 0 3 311.360 3.206 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC001455950477 1182389150 /nfs/dbraw/zinc/38/91/50/1182389150.db2.gz PXADBMTVNCJIFU-SZMVWBNQSA-N 0 3 300.446 3.335 20 30 DGEDHN CCOC(=O)/C=C/CN(Cc1ccc(C#N)cc1)CC(C)C ZINC001459381516 1182583836 /nfs/dbraw/zinc/58/38/36/1182583836.db2.gz NWBNVUPSJPYOCI-AATRIKPKSA-N 0 3 300.402 3.136 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CCCCCCCC3)C2=O)cc1 ZINC001460110016 1182653019 /nfs/dbraw/zinc/65/30/19/1182653019.db2.gz FYFBAJFZJDCOJG-GOSISDBHSA-N 0 3 311.429 3.320 20 30 DGEDHN CO[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1(C)C ZINC001460123531 1182653837 /nfs/dbraw/zinc/65/38/37/1182653837.db2.gz PUZNJGWNASUTBZ-HUUCEWRRSA-N 0 3 311.347 3.460 20 30 DGEDHN C=CCOCCN1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001460175353 1182659967 /nfs/dbraw/zinc/65/99/67/1182659967.db2.gz UKYIIQOYZWQOOM-UHFFFAOYSA-N 0 3 308.853 3.443 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC001460290633 1182673351 /nfs/dbraw/zinc/67/33/51/1182673351.db2.gz SZPKWUWMEKRHPQ-RCCFBDPRSA-N 0 3 324.468 3.478 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC001460758514 1182718713 /nfs/dbraw/zinc/71/87/13/1182718713.db2.gz LUJHYGBOYCJRKT-YESZJQIVSA-N 0 3 310.441 3.088 20 30 DGEDHN CC#CCN1CCC(OCc2ccc(Br)cc2)CC1 ZINC001460974098 1182748866 /nfs/dbraw/zinc/74/88/66/1182748866.db2.gz NMOWVPWWZMXGDR-UHFFFAOYSA-N 0 3 322.246 3.453 20 30 DGEDHN Cc1ccc(CN2CC[C@H](NCc3ccc(C#N)cc3F)C2)cc1 ZINC001461701219 1182844744 /nfs/dbraw/zinc/84/47/44/1182844744.db2.gz CNBXSPHLJALFBL-IBGZPJMESA-N 0 3 323.415 3.370 20 30 DGEDHN C#CCOc1ccc(CNCc2cc(C)nc(Cl)c2)cc1 ZINC001462263198 1182929738 /nfs/dbraw/zinc/92/97/38/1182929738.db2.gz PAANNPFTWSBRJQ-UHFFFAOYSA-N 0 3 300.789 3.345 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC001464537253 1183098939 /nfs/dbraw/zinc/09/89/39/1183098939.db2.gz AOHZFGHFJJCZCD-LJQANCHMSA-N 0 3 306.409 3.009 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(CCCCC)cc1 ZINC001465047376 1183126449 /nfs/dbraw/zinc/12/64/49/1183126449.db2.gz HPUNVNVEELACET-UHFFFAOYSA-N 0 3 315.461 3.496 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001469315540 1183400024 /nfs/dbraw/zinc/40/00/24/1183400024.db2.gz DELFABUVRVTGCL-FUHWJXTLSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001470071049 1183459598 /nfs/dbraw/zinc/45/95/98/1183459598.db2.gz PALFXVVPQBMRLD-MRXNPFEDSA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCN(C)CCN(CC)c1ccnc(Cc2ccccc2)n1 ZINC001472817978 1183685502 /nfs/dbraw/zinc/68/55/02/1183685502.db2.gz PZDAWJFYBJLMIZ-UHFFFAOYSA-N 0 3 310.445 3.012 20 30 DGEDHN N#Cc1cccc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1F ZINC001473787052 1183802937 /nfs/dbraw/zinc/80/29/37/1183802937.db2.gz YFGPMYAVDIAJDU-AZUAARDMSA-N 0 3 322.383 3.097 20 30 DGEDHN C#CCC1(N[C@H]2CCCN(c3cc(C)ccc3F)C2=O)CCC1 ZINC001473819779 1183808178 /nfs/dbraw/zinc/80/81/78/1183808178.db2.gz PXUCKLYMXYGOSG-INIZCTEOSA-N 0 3 314.404 3.165 20 30 DGEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473868138 1183814816 /nfs/dbraw/zinc/81/48/16/1183814816.db2.gz JKTROEUKRWAFRJ-OAHLLOKOSA-N 0 3 315.804 3.028 20 30 DGEDHN C#CCOc1ccccc1CNCCOc1ccc2c(c1)CCC2 ZINC001473950492 1183836435 /nfs/dbraw/zinc/83/64/35/1183836435.db2.gz YYSXCSPRXSDXLO-UHFFFAOYSA-N 0 3 321.420 3.356 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nnc(-c2ccccc2)[n-]1 ZINC001473998789 1183847619 /nfs/dbraw/zinc/84/76/19/1183847619.db2.gz HXCGAEGFDCAFCA-UHFFFAOYSA-N 0 3 317.396 3.250 20 30 DGEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc(C)n1 ZINC001474233261 1183887152 /nfs/dbraw/zinc/88/71/52/1183887152.db2.gz VKSWOBMBMGUAED-UHFFFAOYSA-N 0 3 321.424 3.366 20 30 DGEDHN Cc1cccc(Cl)c1CNC[C@@H](C)N(C)C(=O)C#CC(C)C ZINC001496051011 1184054864 /nfs/dbraw/zinc/05/48/64/1184054864.db2.gz OHAJYPOVSWJZQQ-OAHLLOKOSA-N 0 3 320.864 3.244 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001478591490 1184163100 /nfs/dbraw/zinc/16/31/00/1184163100.db2.gz OZWNOGOJLUMDKM-INIZCTEOSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001479261670 1184221525 /nfs/dbraw/zinc/22/15/25/1184221525.db2.gz YTFGTTJOZIPJNP-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001479272783 1184224835 /nfs/dbraw/zinc/22/48/35/1184224835.db2.gz AJHYKGUWUHYERX-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001479391599 1184244397 /nfs/dbraw/zinc/24/43/97/1184244397.db2.gz KVEVJXVVVYPWJA-SAZUREKKSA-N 0 3 322.399 3.306 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001479502161 1184261599 /nfs/dbraw/zinc/26/15/99/1184261599.db2.gz NBQNQNDWXUCPCE-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C[C@H](CC)C(C)C)CC(C)(C)C1 ZINC001479748333 1184312611 /nfs/dbraw/zinc/31/26/11/1184312611.db2.gz SPVCVRCUYCSHLW-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCC1(C(=O)NCCCN(C)Cc2cnccc2C)CCC1 ZINC001479794784 1184327722 /nfs/dbraw/zinc/32/77/22/1184327722.db2.gz WAIFTLOGKWCSBQ-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001479913987 1184380432 /nfs/dbraw/zinc/38/04/32/1184380432.db2.gz AMEJGRRULIDWFY-MSOLQXFVSA-N 0 3 318.436 3.287 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001479950850 1184385229 /nfs/dbraw/zinc/38/52/29/1184385229.db2.gz LWKBXURJESYOSC-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CC)CCCCC)CC1 ZINC001479987110 1184403620 /nfs/dbraw/zinc/40/36/20/1184403620.db2.gz CHMFAXVQTWZKMN-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)C[C@H](F)CC)C2)C1 ZINC001480084505 1184429855 /nfs/dbraw/zinc/42/98/55/1184429855.db2.gz LSOGQEFBEZLJJB-HZPDHXFCSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCCC(=O)NC1CCC(NCc2c(F)cccc2F)CC1 ZINC001480399818 1184521219 /nfs/dbraw/zinc/52/12/19/1184521219.db2.gz QNMFKBAASZPTFT-UHFFFAOYSA-N 0 3 322.399 3.448 20 30 DGEDHN CCC[C@H](CC)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001480622740 1184563625 /nfs/dbraw/zinc/56/36/25/1184563625.db2.gz ZUVKNEBENZSYRS-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1nccc2ccsc21 ZINC001480771086 1184603042 /nfs/dbraw/zinc/60/30/42/1184603042.db2.gz OQQURYWLNZBEDZ-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nccc2ccsc21 ZINC001480771087 1184603193 /nfs/dbraw/zinc/60/31/93/1184603193.db2.gz OQQURYWLNZBEDZ-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(C)CC(F)(F)F ZINC001480800687 1184612161 /nfs/dbraw/zinc/61/21/61/1184612161.db2.gz DKOPJKZEUMSUCO-SNVBAGLBSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001480811680 1184614265 /nfs/dbraw/zinc/61/42/65/1184614265.db2.gz BNKQSAMBIXUSRE-GOEBONIOSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(-c2cccs2)o1 ZINC001493051104 1184639072 /nfs/dbraw/zinc/63/90/72/1184639072.db2.gz UBWIUWUPFVTDEK-UHFFFAOYSA-N 0 3 304.415 3.246 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001493150709 1184659123 /nfs/dbraw/zinc/65/91/23/1184659123.db2.gz FOZMSFXJSRGFHT-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001493160370 1184659939 /nfs/dbraw/zinc/65/99/39/1184659939.db2.gz HRVKSSMIKWDMMW-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001493256975 1184676136 /nfs/dbraw/zinc/67/61/36/1184676136.db2.gz FREWYQXMJFMASF-IEBWSBKVSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2cccc(F)c2o1)C1CC1 ZINC001493447996 1184708633 /nfs/dbraw/zinc/70/86/33/1184708633.db2.gz ARUXSLYFNJSVTO-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN CC(C)C(=O)NCCCN(Cc1ccc(C#N)cc1F)C(C)C ZINC001493852440 1184748682 /nfs/dbraw/zinc/74/86/82/1184748682.db2.gz XLUSLTYLOAYDOR-UHFFFAOYSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cccc(C)n1)c1ccccc1 ZINC001493883137 1184757055 /nfs/dbraw/zinc/75/70/55/1184757055.db2.gz HPCCTVZPTSVJPA-GOSISDBHSA-N 0 3 309.413 3.027 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1Cc2ccc(F)cc21)c1ccccc1 ZINC001493895052 1184761142 /nfs/dbraw/zinc/76/11/42/1184761142.db2.gz CIOBWRPNPAKRKK-RBUKOAKNSA-N 0 3 324.399 3.099 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)c1ccco1)c1ccccc1 ZINC001493898275 1184761487 /nfs/dbraw/zinc/76/14/87/1184761487.db2.gz JWGJNKVPPIOBSL-DOTOQJQBSA-N 0 3 312.413 3.406 20 30 DGEDHN C#CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC)CCCCC1 ZINC001493930087 1184766706 /nfs/dbraw/zinc/76/67/06/1184766706.db2.gz IXBIHWRCOUPNLD-HDICACEKSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001493964321 1184779401 /nfs/dbraw/zinc/77/94/01/1184779401.db2.gz KGBZEZHVAFXCNV-RDGPPVDQSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)C2(C)CC2)C1 ZINC001494181597 1184826494 /nfs/dbraw/zinc/82/64/94/1184826494.db2.gz JGGKVMXTRVUQKI-LJQANCHMSA-N 0 3 324.468 3.303 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC001494327093 1184855815 /nfs/dbraw/zinc/85/58/15/1184855815.db2.gz LMEWSNNTPHPGHS-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001494598219 1184892494 /nfs/dbraw/zinc/89/24/94/1184892494.db2.gz DNINGXHSPBZLRH-LJQANCHMSA-N 0 3 318.505 3.300 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001494737925 1184915712 /nfs/dbraw/zinc/91/57/12/1184915712.db2.gz LRDKNRPNAHSAPV-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001494914575 1184961473 /nfs/dbraw/zinc/96/14/73/1184961473.db2.gz UOIXKEIVKZFULZ-PKOBYXMFSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001495033665 1184983642 /nfs/dbraw/zinc/98/36/42/1184983642.db2.gz FKMQZTHHUMILCZ-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001495135317 1185001676 /nfs/dbraw/zinc/00/16/76/1185001676.db2.gz PBVIOLVWAZLWOI-UHFFFAOYSA-N 0 3 310.441 3.023 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001495374449 1185041131 /nfs/dbraw/zinc/04/11/31/1185041131.db2.gz RHFSJXCYTQBWII-AWEZNQCLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCC(=O)N1CCC(CCNCc2csc(C)n2)CC1 ZINC001495407087 1185047901 /nfs/dbraw/zinc/04/79/01/1185047901.db2.gz DUEGHWOAZPVETI-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)CNCc2ncc(C)s2)CC1 ZINC001495732784 1185095631 /nfs/dbraw/zinc/09/56/31/1185095631.db2.gz BDJRCFBETUJZBR-CYBMUJFWSA-N 0 3 321.490 3.040 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](CC)CC(F)F)CCCC1 ZINC001495918859 1185113322 /nfs/dbraw/zinc/11/33/22/1185113322.db2.gz PZQOWAAJRVIDIA-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN C#Cc1ccc(C(=O)NCC2(NCC(=C)Cl)CCCC2)cc1 ZINC001495930571 1185114249 /nfs/dbraw/zinc/11/42/49/1185114249.db2.gz MFBSUKZSOWFYOA-UHFFFAOYSA-N 0 3 316.832 3.053 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)CC(C)C)CC2 ZINC001495984702 1185121269 /nfs/dbraw/zinc/12/12/69/1185121269.db2.gz BDHAODINGXQZBV-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN CC[C@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001496005547 1185124522 /nfs/dbraw/zinc/12/45/22/1185124522.db2.gz WXRHHWHLCVHMJZ-GJZGRUSLSA-N 0 3 320.864 3.174 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)cc1F ZINC001496053476 1185129972 /nfs/dbraw/zinc/12/99/72/1185129972.db2.gz BEZPGDXFUURXEQ-CYBMUJFWSA-N 0 3 324.827 3.219 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cncs2)CCCC1 ZINC001496252118 1185155469 /nfs/dbraw/zinc/15/54/69/1185155469.db2.gz YWWRCMGDNYSGHO-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2nccs2)[C@H](C)C1 ZINC001496362198 1185174283 /nfs/dbraw/zinc/17/42/83/1185174283.db2.gz YKKZWLNOZRPFRD-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1cc(F)ccc1F)C(C)C ZINC001496538295 1185208229 /nfs/dbraw/zinc/20/82/29/1185208229.db2.gz QVRMBBWREFKUHZ-INIZCTEOSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccnc1C1CC1)C(C)C ZINC001496573894 1185215310 /nfs/dbraw/zinc/21/53/10/1185215310.db2.gz FTPAIKUDQRGAPB-OAHLLOKOSA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cscc1C(F)F ZINC001496705773 1185234815 /nfs/dbraw/zinc/23/48/15/1185234815.db2.gz XRCLUOFUKLXMCS-UHFFFAOYSA-N 0 3 302.390 3.266 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC/C=C\c1ccccc1 ZINC001496781942 1185246493 /nfs/dbraw/zinc/24/64/93/1185246493.db2.gz ZHBDKXYRPALXTO-WQLSENKSSA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCCc2ccccc21 ZINC001497217942 1185298886 /nfs/dbraw/zinc/29/88/86/1185298886.db2.gz YOXYCPUNTBFSOP-WMLDXEAASA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1c(C)cc(C)cc1C ZINC001497259198 1185304786 /nfs/dbraw/zinc/30/47/86/1185304786.db2.gz FNILHWOPHPQXHD-INIZCTEOSA-N 0 3 322.880 3.391 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCNCc2oc(C)nc2C)CC1 ZINC001497266399 1185306265 /nfs/dbraw/zinc/30/62/65/1185306265.db2.gz YSEVCKPDAKDNRW-ZDUSSCGKSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001497658337 1185371051 /nfs/dbraw/zinc/37/10/51/1185371051.db2.gz NFHXKTSWLBJJLB-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001497950303 1185413011 /nfs/dbraw/zinc/41/30/11/1185413011.db2.gz DEFKZQBINXZFND-WBVHZDCISA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1ocnc1C ZINC001498479443 1185505527 /nfs/dbraw/zinc/50/55/27/1185505527.db2.gz FKSRMHCCEZRNNQ-HZPDHXFCSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2ccncc2Cl)C1 ZINC001498610826 1185523338 /nfs/dbraw/zinc/52/33/38/1185523338.db2.gz KRXXZNOMTQQJNX-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001498804220 1185549387 /nfs/dbraw/zinc/54/93/87/1185549387.db2.gz UYPOHTKFGGHFJJ-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1CC/C=C\c1ccccc1 ZINC001498966193 1185581702 /nfs/dbraw/zinc/58/17/02/1185581702.db2.gz CHWJAHUQAQRIAX-KEEQEYLASA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001499005779 1185589766 /nfs/dbraw/zinc/58/97/66/1185589766.db2.gz QIFDCGJYHZWASS-MJGOQNOKSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001499005774 1185590047 /nfs/dbraw/zinc/59/00/47/1185590047.db2.gz QIFDCGJYHZWASS-HKUYNNGSSA-N 0 3 312.457 3.263 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCCCCC=C)cc1 ZINC001499033164 1185595377 /nfs/dbraw/zinc/59/53/77/1185595377.db2.gz QHSVGUSHKISSRF-IBGZPJMESA-N 0 3 310.441 3.218 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001499049148 1185600371 /nfs/dbraw/zinc/60/03/71/1185600371.db2.gz VJADAVAGQCOOOQ-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CCN2C[C@@H](CC)OC)CCCCC1 ZINC001499081229 1185606682 /nfs/dbraw/zinc/60/66/82/1185606682.db2.gz WPNVSFRHNLVLPL-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cccc(CC)c2)CC1 ZINC001499238214 1185628824 /nfs/dbraw/zinc/62/88/24/1185628824.db2.gz RUQKQEPTQXIOLB-UHFFFAOYSA-N 0 3 300.446 3.344 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001499919303 1185716687 /nfs/dbraw/zinc/71/66/87/1185716687.db2.gz QZPDPWGLZIYHTI-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC001500013300 1185730564 /nfs/dbraw/zinc/73/05/64/1185730564.db2.gz UGTRTZXEXHLWHL-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN(C(C)=O)C1CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC001500020263 1185731905 /nfs/dbraw/zinc/73/19/05/1185731905.db2.gz XBYHLSSVZYMOMK-UHFFFAOYSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(Cc2cccc(CC)c2)CC1 ZINC001500019088 1185732230 /nfs/dbraw/zinc/73/22/30/1185732230.db2.gz WLKVLVRIWJTJBX-UHFFFAOYSA-N 0 3 312.457 3.085 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001500543034 1185819778 /nfs/dbraw/zinc/81/97/78/1185819778.db2.gz QEANZQZBZBCICD-OAHLLOKOSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3cnccc32)C1 ZINC001500551355 1185820626 /nfs/dbraw/zinc/82/06/26/1185820626.db2.gz XRXFMNGPIWWAPW-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2sc(C)cc2C)C1 ZINC001500550138 1185820688 /nfs/dbraw/zinc/82/06/88/1185820688.db2.gz KACVXPYMQZJENZ-SFHVURJKSA-N 0 3 320.502 3.312 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1CC ZINC001501021490 1185856777 /nfs/dbraw/zinc/85/67/77/1185856777.db2.gz GWJNNHLTAGOPGH-FAJBIJEISA-N 0 3 312.457 3.228 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)C(C)(C)C ZINC001501195786 1185882523 /nfs/dbraw/zinc/88/25/23/1185882523.db2.gz FHXYQEASOSHHLQ-QGZVFWFLSA-N 0 3 314.473 3.310 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ncccc1CC ZINC001501665896 1185917693 /nfs/dbraw/zinc/91/76/93/1185917693.db2.gz UPIILDIHUQNALH-UHFFFAOYSA-N 0 3 323.440 3.192 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cc1occc1C ZINC001501668715 1185918834 /nfs/dbraw/zinc/91/88/34/1185918834.db2.gz KVNBBKDVUDOYCN-UHFFFAOYSA-N 0 3 312.413 3.065 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)CCC)cc1 ZINC001501673505 1185920339 /nfs/dbraw/zinc/92/03/39/1185920339.db2.gz PVECXOUHCCSYSS-CVEARBPZSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2occc2Cl)cc1 ZINC001501679800 1185921337 /nfs/dbraw/zinc/92/13/37/1185921337.db2.gz UYFUURIOJMDGRF-LBPRGKRZSA-N 0 3 316.788 3.147 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)[nH]c2C)cc1 ZINC001501681937 1185921893 /nfs/dbraw/zinc/92/18/93/1185921893.db2.gz UJSVGGINYKICRX-OAHLLOKOSA-N 0 3 323.440 3.235 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001502522095 1185991906 /nfs/dbraw/zinc/99/19/06/1185991906.db2.gz LMCGCMFQIGZXHA-ZRNYNZGJSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C(C)(C)C=C ZINC001502532648 1185992153 /nfs/dbraw/zinc/99/21/53/1185992153.db2.gz VLCUEQPZTUYQLL-GOSISDBHSA-N 0 3 312.457 3.318 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2cccs2)C[C@H]1C ZINC001503013452 1186035434 /nfs/dbraw/zinc/03/54/34/1186035434.db2.gz GALKNARGFSEDDH-CVEARBPZSA-N 0 3 318.486 3.063 20 30 DGEDHN C=CCC[C@H](C)N1CCc2ccccc2[C@H]1CNC(=O)C(F)F ZINC001503668464 1186051501 /nfs/dbraw/zinc/05/15/01/1186051501.db2.gz XQCQDGOYHMUFKJ-XJKSGUPXSA-N 0 3 322.399 3.322 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccccc1F ZINC001505444883 1186081857 /nfs/dbraw/zinc/08/18/57/1186081857.db2.gz KMICDRAGCFTHFP-DOTOQJQBSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2scnc2c1 ZINC001505452276 1186085475 /nfs/dbraw/zinc/08/54/75/1186085475.db2.gz DTEMUVNNXVTBCF-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(F)cccc1Cl ZINC001505459199 1186087877 /nfs/dbraw/zinc/08/78/77/1186087877.db2.gz LYGRDAVUSUQQOR-LBPRGKRZSA-N 0 3 310.800 3.202 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001505547164 1186101228 /nfs/dbraw/zinc/10/12/28/1186101228.db2.gz GOXZHJUKDBWMNQ-HUUCEWRRSA-N 0 3 320.864 3.220 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001505547165 1186101729 /nfs/dbraw/zinc/10/17/29/1186101729.db2.gz GOXZHJUKDBWMNQ-LSDHHAIUSA-N 0 3 320.864 3.220 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1ccccc1F ZINC001505615270 1186114561 /nfs/dbraw/zinc/11/45/61/1186114561.db2.gz VHUNWBPWJYRMMC-KBPBESRZSA-N 0 3 306.425 3.411 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001505820427 1186143720 /nfs/dbraw/zinc/14/37/20/1186143720.db2.gz SVBLAXBCSDSTAB-RRFJBIMHSA-N 0 3 312.885 3.249 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1coc2cc(C)c(C)cc21 ZINC001505969321 1186172749 /nfs/dbraw/zinc/17/27/49/1186172749.db2.gz MHUXKEAPMRYXDT-CQSZACIVSA-N 0 3 300.402 3.286 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(OC)cc1 ZINC001505976033 1186172754 /nfs/dbraw/zinc/17/27/54/1186172754.db2.gz DLOPZGMKTGOFHJ-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001505977124 1186174240 /nfs/dbraw/zinc/17/42/40/1186174240.db2.gz YTZVDWKVEIIAFW-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)CCc1scnc1C ZINC001506010301 1186180450 /nfs/dbraw/zinc/18/04/50/1186180450.db2.gz SOMOZGGVSVOIFS-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@@H](NCc1coc(C)n1)C(C)C ZINC001506385948 1186218809 /nfs/dbraw/zinc/21/88/09/1186218809.db2.gz IJSMFEJQMKMIMJ-MRXNPFEDSA-N 0 3 321.465 3.158 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(CCOC2CCCCCC2)C1 ZINC001506591383 1186258165 /nfs/dbraw/zinc/25/81/65/1186258165.db2.gz KEJLGACRCTUEPH-INIZCTEOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001506638693 1186266275 /nfs/dbraw/zinc/26/62/75/1186266275.db2.gz BEKTXEZBDXJIIU-MRXNPFEDSA-N 0 3 314.473 3.452 20 30 DGEDHN C=CCOCC(=O)N(C)C[C@H](C)N[C@H](C)c1ccccc1Cl ZINC001507064019 1186353890 /nfs/dbraw/zinc/35/38/90/1186353890.db2.gz UTIMRGDOUZIMHV-UONOGXRCSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001507075593 1186354865 /nfs/dbraw/zinc/35/48/65/1186354865.db2.gz DLHJZPFEIMYVGL-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001507076480 1186355468 /nfs/dbraw/zinc/35/54/68/1186355468.db2.gz JWJRAQQSRGSKNB-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@@]1(C)CC=CCC1)NCC#Cc1ccccc1 ZINC001507079574 1186356282 /nfs/dbraw/zinc/35/62/82/1186356282.db2.gz ZXEUCKQJQNRYSG-RXVVDRJESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccc(C)nc1C ZINC001507114867 1186364520 /nfs/dbraw/zinc/36/45/20/1186364520.db2.gz WKSDMMQJKNHSQA-DOTOQJQBSA-N 0 3 317.477 3.237 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2c(C)nsc2C)C1 ZINC001507120813 1186365550 /nfs/dbraw/zinc/36/55/50/1186365550.db2.gz ONECXGRMCQXUOL-GFCCVEGCSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2cc(F)cc(F)c2)C1 ZINC001507121106 1186365783 /nfs/dbraw/zinc/36/57/83/1186365783.db2.gz UVKZNCCWKAXDHS-ZDUSSCGKSA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001507126015 1186367287 /nfs/dbraw/zinc/36/72/87/1186367287.db2.gz KLUCDBAPMHOIJT-IRXDYDNUSA-N 0 3 314.473 3.202 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC001507154744 1186373593 /nfs/dbraw/zinc/37/35/93/1186373593.db2.gz HMUVKILATFBRJQ-LBPRGKRZSA-N 0 3 318.417 3.114 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001507276978 1186379025 /nfs/dbraw/zinc/37/90/25/1186379025.db2.gz GPTPXPJXYNPULJ-QWHCGFSZSA-N 0 3 317.260 3.078 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001507276976 1186379289 /nfs/dbraw/zinc/37/92/89/1186379289.db2.gz GPTPXPJXYNPULJ-CHWSQXEVSA-N 0 3 317.260 3.078 20 30 DGEDHN Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C#CC3CC3)[C@H]2C)c1 ZINC001507376483 1186408695 /nfs/dbraw/zinc/40/86/95/1186408695.db2.gz KMFLFWYETWGQTQ-YLJYHZDGSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cnc(CC)s2)[C@@H]1C ZINC001507385920 1186412591 /nfs/dbraw/zinc/41/25/91/1186412591.db2.gz KRWFEGGNNTUXBX-KBPBESRZSA-N 0 3 321.490 3.254 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)c1cccs1)C(C)C ZINC001507833790 1186449412 /nfs/dbraw/zinc/44/94/12/1186449412.db2.gz GITVWIJWIVMRFK-OAHLLOKOSA-N 0 3 306.475 3.044 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@@H]1CC(C)(C)CO1)C(C)C ZINC001507864393 1186451695 /nfs/dbraw/zinc/45/16/95/1186451695.db2.gz RXHZWKRJKHXBBO-QGZVFWFLSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2cncs2)C(C)(C)C)C1 ZINC001508019619 1186467137 /nfs/dbraw/zinc/46/71/37/1186467137.db2.gz BYGGSHIPERBKER-CQSZACIVSA-N 0 3 321.490 3.120 20 30 DGEDHN C#CCC1(C(=O)N[C@@H](CNCCF)C(C)(C)C)CCCCC1 ZINC001508043137 1186472959 /nfs/dbraw/zinc/47/29/59/1186472959.db2.gz KJYFJHLJBBCNPS-HNNXBMFYSA-N 0 3 310.457 3.050 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCC=C(Cl)Cl)C2)C1 ZINC001508132829 1186483522 /nfs/dbraw/zinc/48/35/22/1186483522.db2.gz CIISDCVXIMEYOI-UHFFFAOYSA-N 0 3 317.260 3.241 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@@H](C)CC(C)C)CC2)CC1 ZINC001508160964 1186486201 /nfs/dbraw/zinc/48/62/01/1186486201.db2.gz ADKZQZSNJJISNM-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCc1ccccc1F ZINC001517065427 1186801078 /nfs/dbraw/zinc/80/10/78/1186801078.db2.gz XYKAVQJKPMJENX-ZFWWWQNUSA-N 0 3 313.376 3.487 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCc1ccccc1F ZINC001517065425 1186801724 /nfs/dbraw/zinc/80/17/24/1186801724.db2.gz XYKAVQJKPMJENX-HIFRSBDPSA-N 0 3 313.376 3.487 20 30 DGEDHN N#CC(C(=O)CC1CCOCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517126187 1186803154 /nfs/dbraw/zinc/80/31/54/1186803154.db2.gz UKXJMQSPKTYYOG-NSHDSACASA-N 0 3 317.776 3.209 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001520036067 1186912215 /nfs/dbraw/zinc/91/22/15/1186912215.db2.gz JIQRRMGPUURMIY-IJLUTSLNSA-N 0 3 313.323 3.448 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(NC[C@H]2CCCCN2C2CC2)cc1F ZINC001612354108 1193451001 /nfs/dbraw/zinc/45/10/01/1193451001.db2.gz ZWOHXPKVIQZTAW-CYBMUJFWSA-N 0 3 318.352 3.034 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001521346747 1187016877 /nfs/dbraw/zinc/01/68/77/1187016877.db2.gz RJQLGRJCIPUFJA-CYBMUJFWSA-N 0 3 300.324 3.414 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CCCO1)c1nccn1Cc1ccccc1 ZINC001524671100 1187258872 /nfs/dbraw/zinc/25/88/72/1187258872.db2.gz BIISRKPSFUIEKV-IAGOWNOFSA-N 0 3 323.396 3.067 20 30 DGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC001525461966 1187316086 /nfs/dbraw/zinc/31/60/86/1187316086.db2.gz GOBULLZMUNIDTL-FXXCCUJSSA-N 0 3 324.424 3.036 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC001615961896 1193531322 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ZINC001565824269 1188979737 /nfs/dbraw/zinc/97/97/37/1188979737.db2.gz GMIVYIPKDNGVKT-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1CCCCC(F)(F)F ZINC001567362963 1188981378 /nfs/dbraw/zinc/98/13/78/1188981378.db2.gz KXJQHOWRPVIEKE-AWEZNQCLSA-N 0 3 318.383 3.103 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)SCc1ccccc1 ZINC001556466057 1189001879 /nfs/dbraw/zinc/00/18/79/1189001879.db2.gz IAACTOHZKNPFTG-INIZCTEOSA-N 0 3 320.502 3.275 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001556466682 1189002496 /nfs/dbraw/zinc/00/24/96/1189002496.db2.gz IMLKYXFBJZODSP-ROUUACIJSA-N 0 3 318.436 3.286 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001556898921 1189027227 /nfs/dbraw/zinc/02/72/27/1189027227.db2.gz SWQIQDUVOTXCTJ-NUJGCVRESA-N 0 3 300.446 3.368 20 30 DGEDHN Cc1ccc(CN2CC[C@H](Nc3c(C#N)cccc3C#N)C2)cc1 ZINC001559262986 1189189010 /nfs/dbraw/zinc/18/90/10/1189189010.db2.gz UQULFINOTXCKIW-IBGZPJMESA-N 0 3 316.408 3.425 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1coc(-c2ccccc2F)n1 ZINC001559797576 1189242438 /nfs/dbraw/zinc/24/24/38/1189242438.db2.gz UMFYIHJUHSFPER-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN N#Cc1ccc(N2CCN(CC3CC=CC3)CC2)c(Cl)c1 ZINC001559794716 1189242516 /nfs/dbraw/zinc/24/25/16/1189242516.db2.gz LPHJMSCTFWQZNH-UHFFFAOYSA-N 0 3 301.821 3.300 20 30 DGEDHN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(CCCC#N)[C@@H]1C ZINC001559947775 1189261609 /nfs/dbraw/zinc/26/16/09/1189261609.db2.gz BSSOJUUQAYXGKZ-KFWWJZLASA-N 0 3 309.454 3.304 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001559983000 1189265763 /nfs/dbraw/zinc/26/57/63/1189265763.db2.gz CNYSPLOZXNKUNI-LSDHHAIUSA-N 0 3 304.409 3.291 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC001560136370 1189282890 /nfs/dbraw/zinc/28/28/90/1189282890.db2.gz REIXDHXCIFQWLW-QZTJIDSGSA-N 0 3 310.441 3.062 20 30 DGEDHN C#CCN(Cc1cccc(C(=O)NCC(C)C)c1)C(C)(C)C ZINC001560156556 1189285548 /nfs/dbraw/zinc/28/55/48/1189285548.db2.gz REGQNMKDVWBRQA-UHFFFAOYSA-N 0 3 300.446 3.306 20 30 DGEDHN C=CCCOCCNCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001560429290 1189327399 /nfs/dbraw/zinc/32/73/99/1189327399.db2.gz BCWSARCBYWFLDK-UHFFFAOYSA-N 0 3 321.421 3.111 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001560939249 1189408928 /nfs/dbraw/zinc/40/89/28/1189408928.db2.gz BUJKTMMBWLHXGY-LJQANCHMSA-N 0 3 321.424 3.278 20 30 DGEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001563853366 1189538859 /nfs/dbraw/zinc/53/88/59/1189538859.db2.gz AVPXTDZZTQYQJN-DLBZAZTESA-N 0 3 321.509 3.093 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001565824642 1189677014 /nfs/dbraw/zinc/67/70/14/1189677014.db2.gz KZRWEALCHGFDDR-KRWDZBQOSA-N 0 3 317.477 3.490 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC)CCCCC1 ZINC001565835456 1189686009 /nfs/dbraw/zinc/68/60/09/1189686009.db2.gz NLWHZOVNJVTEDU-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)CCC)C2)CC1 ZINC001565921957 1189705044 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C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ncccc1C ZINC001566526016 1189790785 /nfs/dbraw/zinc/79/07/85/1189790785.db2.gz NPDUBXNPUZHRFB-HUUCEWRRSA-N 0 3 321.852 3.115 20 30 DGEDHN CC#CCN(CCCNC(=O)C1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001566604123 1189819300 /nfs/dbraw/zinc/81/93/00/1189819300.db2.gz OUOACLJVEUQRQN-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCCc2sccc2C)CC1 ZINC001566613018 1189822996 /nfs/dbraw/zinc/82/29/96/1189822996.db2.gz BZUGIELNQCQBAN-UHFFFAOYSA-N 0 3 320.502 3.488 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001566630618 1189837575 /nfs/dbraw/zinc/83/75/75/1189837575.db2.gz SIDMECRKTYSVGB-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001566755705 1189891639 /nfs/dbraw/zinc/89/16/39/1189891639.db2.gz PSKFJDAXCRAZDH-OAGGEKHMSA-N 0 3 302.418 3.025 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2oc(C(C)C)nc2C)C1 ZINC001566839716 1189919507 /nfs/dbraw/zinc/91/95/07/1189919507.db2.gz HIJFHFJKYJYYAL-GASCZTMLSA-N 0 3 319.449 3.200 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001566929919 1189958607 /nfs/dbraw/zinc/95/86/07/1189958607.db2.gz LYDYTDRZXLEEHM-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC1CC1 ZINC001566956137 1189967412 /nfs/dbraw/zinc/96/74/12/1189967412.db2.gz SZEJKVSYWDLJRM-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566962591 1189973628 /nfs/dbraw/zinc/97/36/28/1189973628.db2.gz JXFMKZSQZLSQPB-QZTJIDSGSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001567104094 1190030924 /nfs/dbraw/zinc/03/09/24/1190030924.db2.gz QGKKFOARUPVLPS-INIZCTEOSA-N 0 3 318.436 3.427 20 30 DGEDHN CCCCCC(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001567112708 1190033172 /nfs/dbraw/zinc/03/31/72/1190033172.db2.gz GTHYIOLRFGLGIZ-MRXNPFEDSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CC(C)(C)CC(F)F)C1 ZINC001567195876 1190063016 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C=CCN1CCC[C@H]1CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001567391732 1190168446 /nfs/dbraw/zinc/16/84/46/1190168446.db2.gz VQHUUNXIOQFOKH-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001567395141 1190170096 /nfs/dbraw/zinc/17/00/96/1190170096.db2.gz GQFUFXNFJANWAD-GJZGRUSLSA-N 0 3 304.409 3.291 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001567409393 1190175317 /nfs/dbraw/zinc/17/53/17/1190175317.db2.gz GYEHKTOGKXAYTQ-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001567434739 1190190569 /nfs/dbraw/zinc/19/05/69/1190190569.db2.gz MYSDYJVKDOIXAA-IAGOWNOFSA-N 0 3 306.494 3.300 20 30 DGEDHN CC[C@H](CC(=O)N(C)CCNCc1cccc(C#N)c1)C(C)C ZINC001567591480 1190223377 /nfs/dbraw/zinc/22/33/77/1190223377.db2.gz DOYGOCDFTKMWKK-GOSISDBHSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C(C)C)nc1)c1ccccc1 ZINC001567660074 1190240513 /nfs/dbraw/zinc/24/05/13/1190240513.db2.gz 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C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001567880287 1190332562 /nfs/dbraw/zinc/33/25/62/1190332562.db2.gz AKVYMFSGJJVXJO-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001567919125 1190353026 /nfs/dbraw/zinc/35/30/26/1190353026.db2.gz VGQYFFAYTSYKII-IBGZPJMESA-N 0 3 312.457 3.221 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)N[C@@H](C)c1ccccc1F ZINC001567958958 1190376203 /nfs/dbraw/zinc/37/62/03/1190376203.db2.gz VSPGPSLXUFTYBC-LSDHHAIUSA-N 0 3 304.409 3.031 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1cccc(C(C)C)n1 ZINC001567972836 1190382480 /nfs/dbraw/zinc/38/24/80/1190382480.db2.gz XFTLDZBCKLXYOR-OAHLLOKOSA-N 0 3 317.477 3.402 20 30 DGEDHN C[C@@H](C#N)C(=O)NC1(CNCc2ccccc2Cl)CCCC1 ZINC001567995705 1190392096 /nfs/dbraw/zinc/39/20/96/1190392096.db2.gz YMQNYGQTNJKHGN-ZDUSSCGKSA-N 0 3 319.836 3.018 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CCC2CCCC2)cc1 ZINC001568115518 1190425615 /nfs/dbraw/zinc/42/56/15/1190425615.db2.gz GYUINNNZVFYVEP-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2ccnc(Cl)c2)C1 ZINC001568298714 1190478451 /nfs/dbraw/zinc/47/84/51/1190478451.db2.gz VUYLECYGHZHEDD-CYBMUJFWSA-N 0 3 321.852 3.028 20 30 DGEDHN CC[C@H](F)CNC[C@@H](NC(=O)C#CC(C)C)C1CCCCC1 ZINC001568341805 1190497063 /nfs/dbraw/zinc/49/70/63/1190497063.db2.gz BSIDBFLVANAMNW-DLBZAZTESA-N 0 3 310.457 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001568386670 1190507961 /nfs/dbraw/zinc/50/79/61/1190507961.db2.gz GYRBXGQOHRNKMX-CQSZACIVSA-N 0 3 316.848 3.382 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(C)no2)C1 ZINC001568412976 1190513669 /nfs/dbraw/zinc/51/36/69/1190513669.db2.gz YSLVFCLSZUWZDN-JKSUJKDBSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2cc(C)no2)C1 ZINC001568412974 1190513979 /nfs/dbraw/zinc/51/39/79/1190513979.db2.gz YSLVFCLSZUWZDN-HOTGVXAUSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Br)CN[C@@H](CNC(=O)[C@@H](C)CCC)C(C)C ZINC001568446427 1190524844 /nfs/dbraw/zinc/52/48/44/1190524844.db2.gz VQZOHEXWHGVWRI-AAEUAGOBSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(C)c1F)C(C)C ZINC001568451288 1190526627 /nfs/dbraw/zinc/52/66/27/1190526627.db2.gz LRLGZEUYGKAYMX-CQSZACIVSA-N 0 3 312.816 3.231 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)Cc1ccc(C)cc1C ZINC001568478779 1190537645 /nfs/dbraw/zinc/53/76/45/1190537645.db2.gz JAEAPMIZIPIXOW-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001568478983 1190538176 /nfs/dbraw/zinc/53/81/76/1190538176.db2.gz MQVFIHAUZVYTSQ-MRXNPFEDSA-N 0 3 318.436 3.471 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001568489030 1190542639 /nfs/dbraw/zinc/54/26/39/1190542639.db2.gz LJXJURNBBGJHJC-DOTOQJQBSA-N 0 3 318.461 3.302 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1ncc(C)s1 ZINC001568528496 1190559429 /nfs/dbraw/zinc/55/94/29/1190559429.db2.gz NDZKFHKXXILUJG-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001568549361 1190564351 /nfs/dbraw/zinc/56/43/51/1190564351.db2.gz YCJAUQJGUBXZQD-UHFFFAOYSA-N 0 3 314.473 3.074 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc(Cl)cc1 ZINC001568553978 1190564808 /nfs/dbraw/zinc/56/48/08/1190564808.db2.gz FGLQJPFOKMNFNU-DHZHZOJOSA-N 0 3 306.837 3.320 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1ccccc1C ZINC001568551722 1190564963 /nfs/dbraw/zinc/56/49/63/1190564963.db2.gz PZHNLDAROOTUAP-QGZVFWFLSA-N 0 3 302.462 3.455 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1cccc(F)c1F ZINC001568663964 1190575688 /nfs/dbraw/zinc/57/56/88/1190575688.db2.gz HEMCHFSYQNNWJM-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)c1cccc(C)c1 ZINC001568683628 1190578159 /nfs/dbraw/zinc/57/81/59/1190578159.db2.gz XVJNCQIMPJBBER-GJZGRUSLSA-N 0 3 308.853 3.335 20 30 DGEDHN N#Cc1ccc(CNC/C=C\CNC(=O)CC2=CCCCC2)cc1 ZINC001568828382 1190592765 /nfs/dbraw/zinc/59/27/65/1190592765.db2.gz YITDMMRFJBCZKT-PLNGDYQASA-N 0 3 323.440 3.211 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1cc2cccc(C)c2s1 ZINC001568874759 1190596165 /nfs/dbraw/zinc/59/61/65/1190596165.db2.gz CNTSVXXKMVJVLK-AATRIKPKSA-N 0 3 312.438 3.109 20 30 DGEDHN C#CCNC/C=C/CNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001568971498 1190603486 /nfs/dbraw/zinc/60/34/86/1190603486.db2.gz LCMXSRQZZZMKAB-VOTSOKGWSA-N 0 3 304.478 3.124 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001568988194 1190604870 /nfs/dbraw/zinc/60/48/70/1190604870.db2.gz DVEKKXUTZNPZRI-OAHLLOKOSA-N 0 3 320.864 3.436 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2ccc(Cl)c(F)c2)C1 ZINC001569017555 1190609233 /nfs/dbraw/zinc/60/92/33/1190609233.db2.gz NEUZBRKSHHTRRF-GFCCVEGCSA-N 0 3 324.827 3.430 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001569056130 1190614644 /nfs/dbraw/zinc/61/46/44/1190614644.db2.gz PTPXDMXSJVQOGS-ZSMUJPCHSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001569315397 1190664588 /nfs/dbraw/zinc/66/45/88/1190664588.db2.gz XTOICPUCLVURMR-LBPRGKRZSA-N 0 3 319.276 3.392 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001569354317 1190674162 /nfs/dbraw/zinc/67/41/62/1190674162.db2.gz UVJCEBYAYBFGSH-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001569367022 1190678330 /nfs/dbraw/zinc/67/83/30/1190678330.db2.gz XVXYYFCVJAMVKO-MRXNPFEDSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001569380613 1190685280 /nfs/dbraw/zinc/68/52/80/1190685280.db2.gz CMGWFPCKAZBWFJ-NWDGAFQWSA-N 0 3 312.360 3.376 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 ZINC001569430578 1190696946 /nfs/dbraw/zinc/69/69/46/1190696946.db2.gz IFEQJQQIUHCNBH-FUHWJXTLSA-N 0 3 312.457 3.078 20 30 DGEDHN C#CCC1(C(=O)NCC2(NCc3ccccc3)CC2)CCCCC1 ZINC001569433649 1190697873 /nfs/dbraw/zinc/69/78/73/1190697873.db2.gz UFZGLPKQFMQKRL-UHFFFAOYSA-N 0 3 324.468 3.399 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001569447258 1190699467 /nfs/dbraw/zinc/69/94/67/1190699467.db2.gz WBNWQMIGSAYWHX-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001569477076 1190705309 /nfs/dbraw/zinc/70/53/09/1190705309.db2.gz AHZCLMLSYGTMHT-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001569553290 1190715859 /nfs/dbraw/zinc/71/58/59/1190715859.db2.gz QHCWQIZBYGXELK-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CCC(=O)NC1(C)CCN(Cc2ncccc2C)CC1 ZINC001569572309 1190718689 /nfs/dbraw/zinc/71/86/89/1190718689.db2.gz FGGHRWSTWZUDLW-UHFFFAOYSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001569649314 1190733065 /nfs/dbraw/zinc/73/30/65/1190733065.db2.gz FPJRNTHUQLDVQU-LJQANCHMSA-N 0 3 312.413 3.132 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001569651700 1190734575 /nfs/dbraw/zinc/73/45/75/1190734575.db2.gz VAMHGVVSDMSXPM-FOIQADDNSA-N 0 3 324.424 3.140 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(CC)cc2)C1 ZINC001569723132 1190749652 /nfs/dbraw/zinc/74/96/52/1190749652.db2.gz CARKWKBMTTWTER-HXUWFJFHSA-N 0 3 312.457 3.104 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001569724121 1190750220 /nfs/dbraw/zinc/75/02/20/1190750220.db2.gz PXIZWMXQYYJIIN-LPHOPBHVSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001569726175 1190750749 /nfs/dbraw/zinc/75/07/49/1190750749.db2.gz MPGODBQACYAMOR-MRXNPFEDSA-N 0 3 324.877 3.257 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cccnc1)c1ccccc1CC ZINC001569800567 1190755669 /nfs/dbraw/zinc/75/56/69/1190755669.db2.gz RYKFSRNCGWPQEN-LJQANCHMSA-N 0 3 323.440 3.281 20 30 DGEDHN CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001569804945 1190756629 /nfs/dbraw/zinc/75/66/29/1190756629.db2.gz RCGSJIZYTNKXNV-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C1(CCC)CC1 ZINC001569870225 1190768020 /nfs/dbraw/zinc/76/80/20/1190768020.db2.gz PHZIRHFTXGLYDE-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001569871055 1190768186 /nfs/dbraw/zinc/76/81/86/1190768186.db2.gz UDUPBOZHABFOND-NRFANRHFSA-N 0 3 324.468 3.375 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001569903730 1190770748 /nfs/dbraw/zinc/77/07/48/1190770748.db2.gz AUHFBPIDXRKCAO-HOTGVXAUSA-N 0 3 304.459 3.280 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(C)cc2F)C1 ZINC001570005179 1190780555 /nfs/dbraw/zinc/78/05/55/1190780555.db2.gz KYHAOFLEDCCFON-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC001570030413 1190784658 /nfs/dbraw/zinc/78/46/58/1190784658.db2.gz TZTNQFLPLLWSLP-QFBILLFUSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@]2(C)C=CCC2)cc1 ZINC001570031260 1190785180 /nfs/dbraw/zinc/78/51/80/1190785180.db2.gz KNTIQCYXGAJLFJ-OXJNMPFZSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(CF)CCC2)cc1 ZINC001570033548 1190785282 /nfs/dbraw/zinc/78/52/82/1190785282.db2.gz WOZTXOKINYQBIV-HNNXBMFYSA-N 0 3 316.420 3.117 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@H](C)CCCCCC)C2)CC1 ZINC001570056293 1190789546 /nfs/dbraw/zinc/78/95/46/1190789546.db2.gz KPEFIJUIBARZOL-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC001570177053 1190808002 /nfs/dbraw/zinc/80/80/02/1190808002.db2.gz DTXJSSXQXSSPFM-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001570212127 1190823271 /nfs/dbraw/zinc/82/32/71/1190823271.db2.gz UKQPOUMWUDDMMT-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](CC)C(C)C)C2 ZINC001570274508 1190835390 /nfs/dbraw/zinc/83/53/90/1190835390.db2.gz DYUBNNLROVQQGI-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)C(C)(C)C1 ZINC001570400285 1190853603 /nfs/dbraw/zinc/85/36/03/1190853603.db2.gz VZROZPHKYZVSPE-GFCCVEGCSA-N 0 3 302.409 3.071 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1cccc(C)c1 ZINC001570468391 1190865995 /nfs/dbraw/zinc/86/59/95/1190865995.db2.gz JLSHFODABFEFFX-LSDHHAIUSA-N 0 3 308.853 3.335 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CCC1CC1 ZINC001570476506 1190866767 /nfs/dbraw/zinc/86/67/67/1190866767.db2.gz DMGCVTLBIFXKHP-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001570520862 1190874064 /nfs/dbraw/zinc/87/40/64/1190874064.db2.gz SOCICOMOMSVYTJ-KBRIMQKVSA-N 0 3 300.446 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C/C=C\Cc1ccccc1 ZINC001570534977 1190878962 /nfs/dbraw/zinc/87/89/62/1190878962.db2.gz UMGCBNYWHOFIRT-FQQSSWHASA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1sc(CCC)nc1C ZINC001570545858 1190884822 /nfs/dbraw/zinc/88/48/22/1190884822.db2.gz YVAMNLYDMYMLPP-CQSZACIVSA-N 0 3 321.490 3.126 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cnc(C)s1 ZINC001570625557 1190904647 /nfs/dbraw/zinc/90/46/47/1190904647.db2.gz YPUJSRZJKPIRER-NEPJUHHUSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNCc1conc1C ZINC001570679226 1190916220 /nfs/dbraw/zinc/91/62/20/1190916220.db2.gz JOXKRSOOQMFAAP-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1cc2ccccc2o1 ZINC001570709423 1190926348 /nfs/dbraw/zinc/92/63/48/1190926348.db2.gz QPUMMZPCBBLJRQ-HNNXBMFYSA-N 0 3 312.413 3.173 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2(F)CCCC2)CCCCC1 ZINC001570798789 1190950965 /nfs/dbraw/zinc/95/09/65/1190950965.db2.gz UFPOALSTRVPFGI-UHFFFAOYSA-N 0 3 316.848 3.430 20 30 DGEDHN CCCC(=O)NC[C@@H]1CCCCCN1Cc1cccc(C#N)c1 ZINC001570815981 1190955459 /nfs/dbraw/zinc/95/54/59/1190955459.db2.gz OPSKIZIAFRPHNM-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN CCCC(=O)NC[C@H]1CCCCCN1Cc1cccc(C#N)c1 ZINC001570815980 1190955876 /nfs/dbraw/zinc/95/58/76/1190955876.db2.gz OPSKIZIAFRPHNM-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001570820996 1190958910 /nfs/dbraw/zinc/95/89/10/1190958910.db2.gz WSUJCISZVVSHTB-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)c2cc(C)no2)C(C)(C)C1 ZINC001570888699 1190969795 /nfs/dbraw/zinc/96/97/95/1190969795.db2.gz JDBOCQJJHCCSCA-INIZCTEOSA-N 0 3 321.465 3.394 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571289128 1190989604 /nfs/dbraw/zinc/98/96/04/1190989604.db2.gz ZGMJNNHPHFFTAY-YHUYYLMFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001571355900 1191000953 /nfs/dbraw/zinc/00/09/53/1191000953.db2.gz ITTGFPXIOTYKCJ-YOEHRIQHSA-N 0 3 316.445 3.187 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(-c2ccoc2)c1 ZINC001571413170 1191018885 /nfs/dbraw/zinc/01/88/85/1191018885.db2.gz ODDIKYPHHFIVMM-OAHLLOKOSA-N 0 3 310.397 3.020 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001571451192 1191021707 /nfs/dbraw/zinc/02/17/07/1191021707.db2.gz QVLXUAIYQDHHOB-QFBILLFUSA-N 0 3 312.457 3.053 20 30 DGEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C1CCCCC1 ZINC001571449390 1191021756 /nfs/dbraw/zinc/02/17/56/1191021756.db2.gz MRPSUSXYAIEOJH-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC(C)C)s2)C1 ZINC001571479857 1191027732 /nfs/dbraw/zinc/02/77/32/1191027732.db2.gz XKNPNLYHCJANJS-LSDHHAIUSA-N 0 3 318.486 3.163 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNCc2csc(C)n2)C1 ZINC001571535811 1191046436 /nfs/dbraw/zinc/04/64/36/1191046436.db2.gz HBIXEOHZLDIJIK-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1CCC[C@@H](OC)C1)C(C)C ZINC001571612345 1191057926 /nfs/dbraw/zinc/05/79/26/1191057926.db2.gz HLEPPNQGVIMQPV-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(F)c1C)C(C)C ZINC001571612620 1191059081 /nfs/dbraw/zinc/05/90/81/1191059081.db2.gz QWCDZIMUZIOROC-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(F)c(Cl)c1)C(C)C ZINC001571614773 1191061779 /nfs/dbraw/zinc/06/17/79/1191061779.db2.gz SYTILEPNXGUARP-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@H]1CCCC[C@@H]1C)C(C)C ZINC001571615613 1191062525 /nfs/dbraw/zinc/06/25/25/1191062525.db2.gz XWIIWGPGBHTQIG-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(F)ccc1Cl)C(C)C ZINC001571615592 1191063234 /nfs/dbraw/zinc/06/32/34/1191063234.db2.gz XJOSJXNXMONZQK-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C=C(C)[C@@H](NC(=O)[C@@H](N)CC(=C)Cl)c1ccc(F)c(F)c1 ZINC001574852163 1191454066 /nfs/dbraw/zinc/45/40/66/1191454066.db2.gz QGWQLXJQLIRWNV-UONOGXRCSA-N 0 3 314.763 3.168 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001574852878 1191454945 /nfs/dbraw/zinc/45/49/45/1191454945.db2.gz ZICZTVYPOVUDTM-JXQTWKCFSA-N 0 3 300.874 3.425 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC001574852864 1191455100 /nfs/dbraw/zinc/45/51/00/1191455100.db2.gz ZHGPFEIEQWLVMB-DVMIWYLISA-N 0 3 310.869 3.177 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001574908173 1191457653 /nfs/dbraw/zinc/45/76/53/1191457653.db2.gz GHORBFZATLEUOQ-CYBMUJFWSA-N 0 3 318.808 3.352 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC001574908126 1191457804 /nfs/dbraw/zinc/45/78/04/1191457804.db2.gz DUFONPRJACKMBC-YMVOSSCXSA-N 0 3 304.478 3.393 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC001574902801 1191457824 /nfs/dbraw/zinc/45/78/24/1191457824.db2.gz GZNBTYXEZBEADG-HNNXBMFYSA-N 0 3 308.372 3.144 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001574903482 1191458028 /nfs/dbraw/zinc/45/80/28/1191458028.db2.gz RXJDIKZRQHXPAC-IAGOWNOFSA-N 0 3 313.445 3.349 20 30 DGEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2c(c1)CNC2 ZINC001574944050 1191459733 /nfs/dbraw/zinc/45/97/33/1191459733.db2.gz VLCDYTNTBGHXHI-UHFFFAOYSA-N 0 3 324.380 3.116 20 30 DGEDHN CC#CC[C@H](N)C(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC001574963436 1191460414 /nfs/dbraw/zinc/46/04/14/1191460414.db2.gz UGNWSCCXKGFAKL-SFHVURJKSA-N 0 3 314.473 3.235 20 30 DGEDHN CC#CC[C@@H](N)C(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC001574972728 1191461721 /nfs/dbraw/zinc/46/17/21/1191461721.db2.gz OXPGAXDJQOJREF-LJQANCHMSA-N 0 3 306.409 3.019 20 30 DGEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC001620421827 1193767452 /nfs/dbraw/zinc/76/74/52/1193767452.db2.gz OGHVCVGWYVPLSD-HXUWFJFHSA-N 0 3 323.440 3.494 20 30 DGEDHN COC(=O)C[C@@H](NCc1ccc(C#N)cc1Cl)C(C)(C)C ZINC001620613301 1193784247 /nfs/dbraw/zinc/78/42/47/1193784247.db2.gz BQHJHIRCGOESOR-CQSZACIVSA-N 0 3 308.809 3.279 20 30 DGEDHN C#C[C@H]1CCCCN1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001620652301 1193786588 /nfs/dbraw/zinc/78/65/88/1193786588.db2.gz KNAGSPQTGMFOLK-HOTGVXAUSA-N 0 3 311.347 3.097 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CNC1([C@H]2CCCO2)CCC1 ZINC001620671199 1193789348 /nfs/dbraw/zinc/78/93/48/1193789348.db2.gz HKGPRYILFRDLRB-MRXNPFEDSA-N 0 3 320.820 3.434 20 30 DGEDHN N#Cc1cccc(OCCN2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001620671115 1193789793 /nfs/dbraw/zinc/78/97/93/1193789793.db2.gz FKYCFJGEEZRRSV-HXUWFJFHSA-N 0 3 322.408 3.401 20 30 DGEDHN C#CCN(Cc1cn(C)nc1-c1cc(F)ccc1F)CC1CC1 ZINC001621160390 1193811252 /nfs/dbraw/zinc/81/12/52/1193811252.db2.gz YKHMEXBBLMJTOP-UHFFFAOYSA-N 0 3 315.367 3.211 20 30 DGEDHN CCN(Cc1cccc(C#N)n1)[C@@H](COC)Cc1ccccc1 ZINC001621178237 1193813218 /nfs/dbraw/zinc/81/32/18/1193813218.db2.gz DAJHTSIFGHEXMU-LJQANCHMSA-N 0 3 309.413 3.033 20 30 DGEDHN C=C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)c1ccccc1 ZINC001627127676 1194113230 /nfs/dbraw/zinc/11/32/30/1194113230.db2.gz KMXKJKJHQBOMDQ-GOSISDBHSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCCC[C@@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC001628634993 1194189266 /nfs/dbraw/zinc/18/92/66/1194189266.db2.gz RZJJDBAFZPYFTI-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001630451544 1194287123 /nfs/dbraw/zinc/28/71/23/1194287123.db2.gz ZSWDGWFBIWEWCF-MSOLQXFVSA-N 0 3 310.441 3.076 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2(C3CCCCC3)CC2)CC1 ZINC001631214127 1194325485 /nfs/dbraw/zinc/32/54/85/1194325485.db2.gz UNRSFJSMEMMHND-UHFFFAOYSA-N 0 3 319.493 3.439 20 30 DGEDHN Cc1cc(C(=O)NCCN2CCCC(C)(C)C2)cc(C)c1C#N ZINC001634128030 1194475297 /nfs/dbraw/zinc/47/52/97/1194475297.db2.gz LIFRNSPBACVXAJ-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)COc1ccc(C(C)C)cc1 ZINC001634636829 1194505220 /nfs/dbraw/zinc/50/52/20/1194505220.db2.gz SPUNNKZDMFFWHR-UHFFFAOYSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001634640286 1194506534 /nfs/dbraw/zinc/50/65/34/1194506534.db2.gz ACDJYHVDIBWGNS-UHFFFAOYSA-N 0 3 311.429 3.262 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1scnc1C1CCCC1 ZINC001634640857 1194506620 /nfs/dbraw/zinc/50/66/20/1194506620.db2.gz PCSYFUQDBDBXAT-UHFFFAOYSA-N 0 3 321.490 3.381 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001634783938 1194515703 /nfs/dbraw/zinc/51/57/03/1194515703.db2.gz ZIMBJNVGJUNGJC-HKUYNNGSSA-N 0 3 315.461 3.305 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@H]1CCCCC ZINC001635739283 1194568921 /nfs/dbraw/zinc/56/89/21/1194568921.db2.gz WYALGXXQGKROLA-QGZVFWFLSA-N 0 3 307.482 3.086 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1csc(C(C)(C)C)n1 ZINC001635753329 1194569547 /nfs/dbraw/zinc/56/95/47/1194569547.db2.gz RGGMLQAZGHCLJC-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1ccccc1C ZINC001635753116 1194569730 /nfs/dbraw/zinc/56/97/30/1194569730.db2.gz HMOYVZQPYMGAKC-ICFOKQHNSA-N 0 3 300.446 3.365 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC001635757827 1194570231 /nfs/dbraw/zinc/57/02/31/1194570231.db2.gz NESUBDOHYFSRDR-CGTJXYLNSA-N 0 3 300.446 3.002 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001635757806 1194570260 /nfs/dbraw/zinc/57/02/60/1194570260.db2.gz MHJYJMHJPOCPJS-LSDHHAIUSA-N 0 3 322.399 3.035 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC/C=C\c1ccccc1 ZINC001635757551 1194570270 /nfs/dbraw/zinc/57/02/70/1194570270.db2.gz BSKFVIATUNSSJS-LCYFTJDESA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1SCCc2sccc21 ZINC001635757773 1194570390 /nfs/dbraw/zinc/57/03/90/1194570390.db2.gz LJFJPXVZDBBGGD-HNNXBMFYSA-N 0 3 324.515 3.045 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC001635757828 1194570442 /nfs/dbraw/zinc/57/04/42/1194570442.db2.gz NESUBDOHYFSRDR-KBAYOESNSA-N 0 3 300.446 3.002 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1coc(C2CCCCC2)n1 ZINC001635757979 1194570522 /nfs/dbraw/zinc/57/05/22/1194570522.db2.gz SNXJIYDPFYLYNK-UHFFFAOYSA-N 0 3 319.449 3.302 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1ccc(F)cc1F ZINC001640016008 1194791530 /nfs/dbraw/zinc/79/15/30/1194791530.db2.gz MGEOAKTXUUQVRJ-CYBMUJFWSA-N 0 3 310.388 3.035 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(Cc2ccncc2C#N)CC1 ZINC001641887708 1194877824 /nfs/dbraw/zinc/87/78/24/1194877824.db2.gz RLOPSMIQHWLPMT-FQEVSTJZSA-N 0 3 320.440 3.222 20 30 DGEDHN Cc1ccc(C)c([C@H](C)NCC(=O)NCc2cccc(C#N)c2)c1 ZINC001642594337 1194922136 /nfs/dbraw/zinc/92/21/36/1194922136.db2.gz GMJYPPHLGGTYES-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC001642719292 1194931976 /nfs/dbraw/zinc/93/19/76/1194931976.db2.gz VHTLYJWGCDYPGQ-KRWDZBQOSA-N 0 3 315.392 3.433 20 30 DGEDHN Cc1nsc(N2CCN(C[C@@H]3CCC[C@H](C)C3)CC2)c1C#N ZINC001643266515 1195009127 /nfs/dbraw/zinc/00/91/27/1195009127.db2.gz LJHPPXOCHSWJIC-DZGCQCFKSA-N 0 3 318.490 3.272 20 30 DGEDHN C=CCCSCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001644664403 1195124990 /nfs/dbraw/zinc/12/49/90/1195124990.db2.gz PWNQZFNEPWRKNB-UHFFFAOYSA-N 0 3 317.458 3.330 20 30 DGEDHN CC[C@]1(C)CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001644943832 1195144572 /nfs/dbraw/zinc/14/45/72/1195144572.db2.gz BQNRHQLPQQTQAU-DPCKTDSQSA-N 0 3 319.493 3.428 20 30 DGEDHN CCCCCCCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC001645900330 1195206829 /nfs/dbraw/zinc/20/68/29/1195206829.db2.gz BROHROMNQYSXNW-GOSISDBHSA-N 0 3 302.462 3.390 20 30 DGEDHN C#CCCCCCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC001645919425 1195207245 /nfs/dbraw/zinc/20/72/45/1195207245.db2.gz VOTIQAHNXBBWFJ-UHFFFAOYSA-N 0 3 316.420 3.473 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2cscn2)c1 ZINC001647042685 1195243655 /nfs/dbraw/zinc/24/36/55/1195243655.db2.gz RZQGCGKSKZCKGY-UHFFFAOYSA-N 0 3 322.231 3.110 20 30 DGEDHN C#CC[C@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001648293316 1195290015 /nfs/dbraw/zinc/29/00/15/1195290015.db2.gz YSIMGMZOFALJRA-HNNXBMFYSA-N 0 3 323.415 3.345 20 30 DGEDHN N#Cc1cc(F)c(C(F)(F)F)cc1NCCN1CCCC1 ZINC001649311175 1195332298 /nfs/dbraw/zinc/33/22/98/1195332298.db2.gz VHDMTPAIDIVKBF-UHFFFAOYSA-N 0 3 301.287 3.224 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001649438459 1195338814 /nfs/dbraw/zinc/33/88/14/1195338814.db2.gz ITZOSMGPIGVWFO-HAQNSBGRSA-N 0 3 312.866 3.495 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2nc(C)cs2)C[C@H]1C ZINC001671245652 1195357142 /nfs/dbraw/zinc/35/71/42/1195357142.db2.gz OHXIVOHSNVFBJX-HUUCEWRRSA-N 0 3 321.490 3.277 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@]1(C)COc2ccccc2O1 ZINC001651369287 1195451188 /nfs/dbraw/zinc/45/11/88/1195451188.db2.gz MPICUJPCSMLGLO-FQEVSTJZSA-N 0 3 323.392 3.018 20 30 DGEDHN COc1ccc(CNCc2cccc3ncccc23)cc1C#N ZINC001651479127 1195469096 /nfs/dbraw/zinc/46/90/96/1195469096.db2.gz OKEWXZRFSBEPNH-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN CC(C)[C@H]1C[C@H](N2CCCC2)CN1c1snc(Cl)c1C#N ZINC001652317671 1195580889 /nfs/dbraw/zinc/58/08/89/1195580889.db2.gz CKZXCSHMROPJIY-WCQYABFASA-N 0 3 324.881 3.367 20 30 DGEDHN C=CCCCN(CC)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001653312676 1195710245 /nfs/dbraw/zinc/71/02/45/1195710245.db2.gz LMHRSUYDYRFDTQ-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(Cl)CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001654383308 1195799356 /nfs/dbraw/zinc/79/93/56/1195799356.db2.gz QXJKXECLMMZZLW-KGYLQXTDSA-N 0 3 302.846 3.363 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC001654508719 1195810910 /nfs/dbraw/zinc/81/09/10/1195810910.db2.gz SGHUHGDRZKBWQA-LJQANCHMSA-N 0 3 318.436 3.344 20 30 DGEDHN C=CCN(CCOc1ccc(Cl)c(F)c1)[C@H](C)COC ZINC001655045042 1195869708 /nfs/dbraw/zinc/86/97/08/1195869708.db2.gz OCMPGDBODPRFKY-GFCCVEGCSA-N 0 3 301.789 3.381 20 30 DGEDHN C#C[C@H]1CCCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001655826342 1195967616 /nfs/dbraw/zinc/96/76/16/1195967616.db2.gz FQNKZQVVLSTPGS-HNNXBMFYSA-N 0 3 315.804 3.420 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001656081102 1195995359 /nfs/dbraw/zinc/99/53/59/1195995359.db2.gz UQMVCHXPAFDYRY-ZBFHGGJFSA-N 0 3 316.445 3.269 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2ccccc2n1 ZINC001656105513 1196001957 /nfs/dbraw/zinc/00/19/57/1196001957.db2.gz GHNFGXVIAPFOQS-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc2c(s1)CCC2 ZINC001656106381 1196003463 /nfs/dbraw/zinc/00/34/63/1196003463.db2.gz ZAYWYFKFTCBWGR-HNNXBMFYSA-N 0 3 318.486 3.349 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2C[C@H](CC)OC)CCCC1 ZINC001656113286 1196006056 /nfs/dbraw/zinc/00/60/56/1196006056.db2.gz UYVUFSFQFNOXMC-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001656150724 1196010810 /nfs/dbraw/zinc/01/08/10/1196010810.db2.gz SDQQUMHGUBOFPJ-PBDRCHOWSA-N 0 3 322.452 3.045 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001656166448 1196012580 /nfs/dbraw/zinc/01/25/80/1196012580.db2.gz BAJULEASBIAYSQ-MCIONIFRSA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001656170432 1196013151 /nfs/dbraw/zinc/01/31/51/1196013151.db2.gz SZHAYIFHAJYROZ-KFWWJZLASA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001656175815 1196014217 /nfs/dbraw/zinc/01/42/17/1196014217.db2.gz HTAYXANQZQQTOI-JNSHFYNHSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001656211352 1196018799 /nfs/dbraw/zinc/01/87/99/1196018799.db2.gz ZLIPAPIQLHNDMP-SHTZXODSSA-N 0 3 312.885 3.440 20 30 DGEDHN CCC1(C(=O)NC[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001656216592 1196019499 /nfs/dbraw/zinc/01/94/99/1196019499.db2.gz WBZZPKHJHFTBPH-WGSAOQKQSA-N 0 3 324.468 3.103 20 30 DGEDHN COc1ccc(Cl)cc1[C@@H](O)CNCc1csc(C#N)c1 ZINC001656247959 1196023414 /nfs/dbraw/zinc/02/34/14/1196023414.db2.gz ZDUCCJFFOAIQFS-AWEZNQCLSA-N 0 3 322.817 3.105 20 30 DGEDHN C#CCOc1ccc(CNCc2cc3ccccc3n2C)cc1 ZINC001656272276 1196025458 /nfs/dbraw/zinc/02/54/58/1196025458.db2.gz KGKIUCSRIPFZHL-UHFFFAOYSA-N 0 3 304.393 3.480 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(CCCc1cccc(F)c1)C2 ZINC001656381085 1196033756 /nfs/dbraw/zinc/03/37/56/1196033756.db2.gz OHFLCXOKWZNJHR-UHFFFAOYSA-N 0 3 315.417 3.332 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2ccco2)c1 ZINC001656629679 1196056293 /nfs/dbraw/zinc/05/62/93/1196056293.db2.gz OCTIQFIESNVXKI-UHFFFAOYSA-N 0 3 305.175 3.246 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@H](NCc2cc(C)ns2)C1 ZINC001656880624 1196078222 /nfs/dbraw/zinc/07/82/22/1196078222.db2.gz HYKSQYBUKZTYBC-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@H](NCc2cnc(C)s2)C1 ZINC001656881703 1196079015 /nfs/dbraw/zinc/07/90/15/1196079015.db2.gz VTFFTCVLIUXUTA-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC001657079895 1196101403 /nfs/dbraw/zinc/10/14/03/1196101403.db2.gz USWKUTKWAJQSCF-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN Cn1cc(-c2ccccc2CNCc2csc(C#N)c2)cn1 ZINC001657105333 1196106070 /nfs/dbraw/zinc/10/60/70/1196106070.db2.gz JDHFYAVQQLUDJL-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(n2cc(Br)cn2)CC1 ZINC001657205799 1196118737 /nfs/dbraw/zinc/11/87/37/1196118737.db2.gz BXTQHLZPFPTUFB-GFCCVEGCSA-N 0 3 310.239 3.084 20 30 DGEDHN CCO[C@@H](CNCc1cc(C#N)ccc1N(C)C)c1ccccc1 ZINC001657280351 1196126569 /nfs/dbraw/zinc/12/65/69/1196126569.db2.gz QAYCAXBYVOCXFG-FQEVSTJZSA-N 0 3 323.440 3.492 20 30 DGEDHN C#C[C@H](N[C@H]1CSC[C@H]1C)c1ccc(Br)cc1 ZINC001658193025 1196223358 /nfs/dbraw/zinc/22/33/58/1196223358.db2.gz JOMLGTKLAMDHNJ-SWHYSGLUSA-N 0 3 310.260 3.465 20 30 DGEDHN CN(C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC001658759171 1196296739 /nfs/dbraw/zinc/29/67/39/1196296739.db2.gz SUIJBVTXTRWKCA-UONOGXRCSA-N 0 3 309.454 3.161 20 30 DGEDHN C#CCOc1ccc(C[NH2+]Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001659266703 1196365617 /nfs/dbraw/zinc/36/56/17/1196365617.db2.gz BWPPJFJONJQWCR-UHFFFAOYSA-N 0 3 311.381 3.011 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@H](C4CCC4)C3)C2=O)cc1 ZINC001659493854 1196388585 /nfs/dbraw/zinc/38/85/85/1196388585.db2.gz BKBVFBOEFFPPRC-HKUYNNGSSA-N 0 3 323.440 3.176 20 30 DGEDHN Cc1cc(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001659960688 1196433194 /nfs/dbraw/zinc/43/31/94/1196433194.db2.gz GEALXWATGFSDKT-LJQANCHMSA-N 0 3 314.429 3.420 20 30 DGEDHN CN(C)c1cccc(CN2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001660382699 1196477198 /nfs/dbraw/zinc/47/71/98/1196477198.db2.gz ZEBSRIWDJLPUEL-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CC1 ZINC001660738638 1196517922 /nfs/dbraw/zinc/51/79/22/1196517922.db2.gz COKIFCOJBWXQLD-QAQDUYKDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(CCC)cc2)C1 ZINC001660965790 1196547526 /nfs/dbraw/zinc/54/75/26/1196547526.db2.gz GJBWXRBXSKNVCG-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001660987961 1196550927 /nfs/dbraw/zinc/55/09/27/1196550927.db2.gz CYUQCWICKKGROW-IBGZPJMESA-N 0 3 312.457 3.454 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CSCCC)CC1 ZINC001661082738 1196562608 /nfs/dbraw/zinc/56/26/08/1196562608.db2.gz GKQUDMDRNHUCMK-UHFFFAOYSA-N 0 3 312.523 3.409 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)OCC(C)C)CC1 ZINC001661083092 1196563459 /nfs/dbraw/zinc/56/34/59/1196563459.db2.gz MEWGSPMWWXAFLZ-KRWDZBQOSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C2(CCF)CC2)CC1 ZINC001661090206 1196565243 /nfs/dbraw/zinc/56/52/43/1196565243.db2.gz OLISYIASKYCVAS-UHFFFAOYSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001661262895 1196589497 /nfs/dbraw/zinc/58/94/97/1196589497.db2.gz XKHSMYFGIXNTGO-OIISXLGYSA-N 0 3 304.478 3.453 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCC2CCCC2)C1 ZINC001661555797 1196618504 /nfs/dbraw/zinc/61/85/04/1196618504.db2.gz OIZSXMFHQKBJQB-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001661735046 1196638021 /nfs/dbraw/zinc/63/80/21/1196638021.db2.gz UZZGMCGQRHZTJN-MRXNPFEDSA-N 0 3 318.486 3.270 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CC2CCCCCC2)C1 ZINC001661740272 1196638846 /nfs/dbraw/zinc/63/88/46/1196638846.db2.gz YDCPJFCORDIPKC-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001661943770 1196664996 /nfs/dbraw/zinc/66/49/96/1196664996.db2.gz SSMBQBRAZRBHLW-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@@H](C)NC1c2ccccc2-c2ccccc21 ZINC001662180421 1196691019 /nfs/dbraw/zinc/69/10/19/1196691019.db2.gz UXIVSXSZJIOHFX-ZIAGYGMSSA-N 0 3 319.408 3.010 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](CCC)CC1CCCCC1 ZINC001662349691 1196711066 /nfs/dbraw/zinc/71/10/66/1196711066.db2.gz FREICFWCMMJSHT-WMZOPIPTSA-N 0 3 306.494 3.491 20 30 DGEDHN C#Cc1ccc(CNCc2cn(C)nc2-c2cccs2)cc1 ZINC001662488135 1196725399 /nfs/dbraw/zinc/72/53/99/1196725399.db2.gz QCVRTBNSOIJRTI-UHFFFAOYSA-N 0 3 307.422 3.420 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H](C)CSC ZINC001663040905 1196787109 /nfs/dbraw/zinc/78/71/09/1196787109.db2.gz VKQKGAUQTFSKHJ-JSGCOSHPSA-N 0 3 318.914 3.099 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001662852045 1196762135 /nfs/dbraw/zinc/76/21/35/1196762135.db2.gz YXAHQGWJQPZLQR-QGZVFWFLSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1ccc(C)s1 ZINC001663019700 1196784509 /nfs/dbraw/zinc/78/45/09/1196784509.db2.gz HNTGBDOBNLKLAJ-LBPRGKRZSA-N 0 3 314.882 3.226 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H](F)C(C)C ZINC001663098825 1196791559 /nfs/dbraw/zinc/79/15/59/1196791559.db2.gz OTAVIPZWZFZNSB-KBPBESRZSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1(CF)CCC1 ZINC001663105637 1196792542 /nfs/dbraw/zinc/79/25/42/1196792542.db2.gz WMFMSCUSYLEBSK-AWEZNQCLSA-N 0 3 316.848 3.240 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001663166309 1196803521 /nfs/dbraw/zinc/80/35/21/1196803521.db2.gz FGAHIYRKCCJHFY-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)[C@H](C)c2cccc(F)c2)cc1 ZINC001663245013 1196816974 /nfs/dbraw/zinc/81/69/74/1196816974.db2.gz CEKNTFOPLZMTMI-OAHLLOKOSA-N 0 3 324.399 3.230 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001663277192 1196825652 /nfs/dbraw/zinc/82/56/52/1196825652.db2.gz ZRMRXJWYSIJODD-MRXNPFEDSA-N 0 3 302.462 3.367 20 30 DGEDHN C=CCC1(C(=O)NCCN(CC)C[C@@H]2CCCCO2)CCCC1 ZINC001663460704 1196872622 /nfs/dbraw/zinc/87/26/22/1196872622.db2.gz BKVRHTZBIXNUFB-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1oc2ccccc2c1CC ZINC001663460700 1196873172 /nfs/dbraw/zinc/87/31/72/1196873172.db2.gz BFXPXWGMYRZRRK-UHFFFAOYSA-N 0 3 300.402 3.233 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1c(C)cc(C)cc1C ZINC001663691878 1196929158 /nfs/dbraw/zinc/92/91/58/1196929158.db2.gz BMKVXQPTQOQJHZ-UHFFFAOYSA-N 0 3 300.446 3.077 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(Cl)ccc1OC)C1CC1 ZINC001663773042 1196943820 /nfs/dbraw/zinc/94/38/20/1196943820.db2.gz LUTRKQJLUAHQEV-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN[C@@H](C)c2ccccc2F)C1 ZINC001664172977 1196977035 /nfs/dbraw/zinc/97/70/35/1196977035.db2.gz BQGGQKXTVUUFBB-AWEZNQCLSA-N 0 3 304.409 3.291 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cncc(CC)c1)c1ccccc1 ZINC001664583209 1197016997 /nfs/dbraw/zinc/01/69/97/1197016997.db2.gz JANXEVSRSNRLDW-LJQANCHMSA-N 0 3 323.440 3.281 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)Cc1ccccc1)c1ccccc1 ZINC001664583378 1197017359 /nfs/dbraw/zinc/01/73/59/1197017359.db2.gz MEEFHIJHLIRVPU-IBGZPJMESA-N 0 3 308.425 3.252 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C2CCC(=C)CC2)C1 ZINC001664680086 1197034121 /nfs/dbraw/zinc/03/41/21/1197034121.db2.gz ZMLOGTASGGBRIZ-SFHVURJKSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C2CCC(=C)CC2)C1 ZINC001664680085 1197034439 /nfs/dbraw/zinc/03/44/39/1197034439.db2.gz ZMLOGTASGGBRIZ-GOSISDBHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccc(C)cc2)C1 ZINC001664686874 1197036480 /nfs/dbraw/zinc/03/64/80/1197036480.db2.gz OOVSNELDYDURJI-SFHVURJKSA-N 0 3 300.446 3.498 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCC(F)(F)C1 ZINC001665378518 1197130670 /nfs/dbraw/zinc/13/06/70/1197130670.db2.gz CRIYUBTXCLKVEF-ILXRZTDVSA-N 0 3 312.404 3.063 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC001665458932 1197140422 /nfs/dbraw/zinc/14/04/22/1197140422.db2.gz CZFGVSOUUKSDME-SSVWKNEZSA-N 0 3 324.468 3.330 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001665481685 1197142043 /nfs/dbraw/zinc/14/20/43/1197142043.db2.gz PWBBSMGNOFZAMA-AEFFLSMTSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001665563452 1197152023 /nfs/dbraw/zinc/15/20/23/1197152023.db2.gz BNDQLDVDFUYRGP-OAHLLOKOSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001665732541 1197182275 /nfs/dbraw/zinc/18/22/75/1197182275.db2.gz VLZYQMYINXNHFE-GOEBONIOSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)N[C@H]1CCc2c1c(F)ccc2F ZINC001665765244 1197190773 /nfs/dbraw/zinc/19/07/73/1197190773.db2.gz JEKQTPLICHSMHT-WBMJQRKESA-N 0 3 322.399 3.403 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001665865846 1197208501 /nfs/dbraw/zinc/20/85/01/1197208501.db2.gz RJRMOIALVXLKLO-INIZCTEOSA-N 0 3 303.450 3.191 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001665866530 1197209470 /nfs/dbraw/zinc/20/94/70/1197209470.db2.gz FHLRDPJMNRTQSE-HKUYNNGSSA-N 0 3 314.473 3.349 20 30 DGEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)CCC1CC1)C1CC1 ZINC001665985166 1197224948 /nfs/dbraw/zinc/22/49/48/1197224948.db2.gz PKKYPJXWZCZZHB-NRFANRHFSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CC2CCC1CC2)C1CC1 ZINC001666044552 1197230537 /nfs/dbraw/zinc/23/05/37/1197230537.db2.gz SHBGABDFLXNSIG-FLMHQWFMSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cc[nH]c2C)CCCC[C@H]1C ZINC001666049074 1197231310 /nfs/dbraw/zinc/23/13/10/1197231310.db2.gz JFISTOOKKBWSKR-PXAZEXFGSA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001666298833 1197249433 /nfs/dbraw/zinc/24/94/33/1197249433.db2.gz SSVDIOPMRIIKSB-HDJSIYSDSA-N 0 3 321.490 3.262 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 ZINC001666344014 1197253518 /nfs/dbraw/zinc/25/35/18/1197253518.db2.gz ASTHKONNFMOVCA-OALUTQOASA-N 0 3 324.468 3.242 20 30 DGEDHN CC(C)CCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001666848844 1197289898 /nfs/dbraw/zinc/28/98/98/1197289898.db2.gz AHNSFDHTGPPTET-CQSZACIVSA-N 0 3 319.424 3.070 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1ccccc1Cl ZINC001666887208 1197295595 /nfs/dbraw/zinc/29/55/95/1197295595.db2.gz KONIQPPJOITMNT-CQSZACIVSA-N 0 3 306.837 3.080 20 30 DGEDHN CC(C)C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CC1 ZINC001667087650 1197316721 /nfs/dbraw/zinc/31/67/21/1197316721.db2.gz ZLWPDMGXFUPUCE-CYBMUJFWSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ncc(C)s2)[C@H](C)C1 ZINC001667197463 1197328745 /nfs/dbraw/zinc/32/87/45/1197328745.db2.gz IXKLIFZCTAZJBN-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ncccc1C ZINC001667369819 1197341847 /nfs/dbraw/zinc/34/18/47/1197341847.db2.gz ZRXVOPTXWOTCOW-SJLPKXTDSA-N 0 3 315.461 3.073 20 30 DGEDHN Cc1cc(C)cc(CN(C)CCN(C)C(=O)C#CC(C)(C)C)c1 ZINC001667561603 1197362468 /nfs/dbraw/zinc/36/24/68/1197362468.db2.gz GRBSCWQLQKGIRO-UHFFFAOYSA-N 0 3 314.473 3.243 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)CCC1(C)CC1 ZINC001668605176 1197421542 /nfs/dbraw/zinc/42/15/42/1197421542.db2.gz SDAODTHTMURDIL-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC001668978817 1197435354 /nfs/dbraw/zinc/43/53/54/1197435354.db2.gz MQAQPKIYGAPTNS-KEGWNNHHSA-N 0 3 316.420 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(CF)cc1 ZINC001668978314 1197435480 /nfs/dbraw/zinc/43/54/80/1197435480.db2.gz JJMVXMPXVXSLRU-WAYWQWQTSA-N 0 3 304.409 3.130 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1ccc(F)c(F)c1 ZINC001669021534 1197437602 /nfs/dbraw/zinc/43/76/02/1197437602.db2.gz ZLPWXDQFNRWNMI-IPLHWJFFSA-N 0 3 322.399 3.329 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001669521139 1197460432 /nfs/dbraw/zinc/46/04/32/1197460432.db2.gz UYOKTGHTDKYFSA-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN CC(C)c1ccoc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669645335 1197468228 /nfs/dbraw/zinc/46/82/28/1197468228.db2.gz TXEOFVDZDHHVQO-INIZCTEOSA-N 0 3 324.424 3.163 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001669649245 1197468576 /nfs/dbraw/zinc/46/85/76/1197468576.db2.gz MIVQBTLORQZRKN-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669783351 1197481883 /nfs/dbraw/zinc/48/18/83/1197481883.db2.gz TYIIZSYTHDZEPT-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669783350 1197482328 /nfs/dbraw/zinc/48/23/28/1197482328.db2.gz TYIIZSYTHDZEPT-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2ccco2)s1 ZINC001669905115 1197500781 /nfs/dbraw/zinc/50/07/81/1197500781.db2.gz PCFRKJKRSGTPBM-GFCCVEGCSA-N 0 3 304.415 3.244 20 30 DGEDHN C=CCCCC(=O)N[C@]1(C)CCN(CCOc2ccccc2)C1 ZINC001671666774 1197559358 /nfs/dbraw/zinc/55/93/58/1197559358.db2.gz JZKHCPCVMMQLFW-LJQANCHMSA-N 0 3 316.445 3.002 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001671886863 1197581322 /nfs/dbraw/zinc/58/13/22/1197581322.db2.gz CHFJYYZXLDXKMU-HOCLYGCPSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001671915989 1197585166 /nfs/dbraw/zinc/58/51/66/1197585166.db2.gz CLPCYKWXDSBBIO-BEFAXECRSA-N 0 3 318.436 3.334 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1)C2 ZINC001672146783 1197593268 /nfs/dbraw/zinc/59/32/68/1197593268.db2.gz GMKYCBQWSWNCMD-ZCNNSNEGSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1coc(C)c1)c1ccccc1CC ZINC001672177486 1197594885 /nfs/dbraw/zinc/59/48/85/1197594885.db2.gz XDZSEVURDACZOE-LJQANCHMSA-N 0 3 324.424 3.234 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2nc(C)sc2C)C1 ZINC001672192032 1197596166 /nfs/dbraw/zinc/59/61/66/1197596166.db2.gz YCZGFAQIWZOWAI-WFASDCNBSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2coc(C)n2)CC1 ZINC001672978272 1197632383 /nfs/dbraw/zinc/63/23/83/1197632383.db2.gz BZFCFUJQKGPZAW-WKILWMFISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)[C@H](F)C(C)C)cccc2C1 ZINC001673079910 1197636813 /nfs/dbraw/zinc/63/68/13/1197636813.db2.gz UKQCSWHNQMDQCY-GOSISDBHSA-N 0 3 318.436 3.231 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CCC1 ZINC001673221952 1197645157 /nfs/dbraw/zinc/64/51/57/1197645157.db2.gz NVLVFRJLROOECA-DLBZAZTESA-N 0 3 318.505 3.491 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(CC)c(CC)c1 ZINC001673491405 1197667812 /nfs/dbraw/zinc/66/78/12/1197667812.db2.gz JNMMISDPXSBVSA-UHFFFAOYSA-N 0 3 314.473 3.229 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001674140128 1197737629 /nfs/dbraw/zinc/73/76/29/1197737629.db2.gz DRGMIXNKGLTESV-QWHCGFSZSA-N 0 3 306.372 3.264 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(F)ccc(C)c1F ZINC001674229155 1197749229 /nfs/dbraw/zinc/74/92/29/1197749229.db2.gz WDVUSKFZBKBWBD-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)C/C=C/c1ccccc1 ZINC001674451193 1197778389 /nfs/dbraw/zinc/77/83/89/1197778389.db2.gz ZMGBAKYQKXYTGS-WUTDNEBXSA-N 0 3 324.468 3.282 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1coc2c1cccc2C ZINC001674462879 1197779322 /nfs/dbraw/zinc/77/93/22/1197779322.db2.gz ANWNKXGLJYBKGQ-OAHLLOKOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(C)c1Cl ZINC001674491176 1197785866 /nfs/dbraw/zinc/78/58/66/1197785866.db2.gz MFCYCJJIXPSBNT-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@@H]2CCCN(CCF)C2)CC1 ZINC001674510471 1197791707 /nfs/dbraw/zinc/79/17/07/1197791707.db2.gz NWOBGNXVPJHGGL-QGZVFWFLSA-N 0 3 310.457 3.263 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1Cl ZINC001674662519 1197826167 /nfs/dbraw/zinc/82/61/67/1197826167.db2.gz XTBFVDZQHAGYBD-KGLIPLIRSA-N 0 3 306.837 3.126 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C)cc1Cl ZINC001674662707 1197826570 /nfs/dbraw/zinc/82/65/70/1197826570.db2.gz YKLRFVAMMULBAV-GJZGRUSLSA-N 0 3 320.864 3.435 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001674710449 1197841602 /nfs/dbraw/zinc/84/16/02/1197841602.db2.gz QIDGRMGLFKTQHI-WDEREUQCSA-N 0 3 307.265 3.391 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001674918025 1197918124 /nfs/dbraw/zinc/91/81/24/1197918124.db2.gz UNVFHODDBFFPFC-AWEZNQCLSA-N 0 3 306.837 3.080 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCOc1ccc(C)cc1 ZINC001674977117 1197940273 /nfs/dbraw/zinc/94/02/73/1197940273.db2.gz WNGZBWKCCKALQW-MRXNPFEDSA-N 0 3 318.461 3.023 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001674978936 1197941897 /nfs/dbraw/zinc/94/18/97/1197941897.db2.gz BRKNKXCXKONTBH-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001675257800 1198023399 /nfs/dbraw/zinc/02/33/99/1198023399.db2.gz HNUBWRSGLBPBSB-ZWKOTPCHSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001675269749 1198029711 /nfs/dbraw/zinc/02/97/11/1198029711.db2.gz MTRHKFVWOQVCJW-PKOBYXMFSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCC(F)F)C[C@@H]2C1 ZINC001675637026 1198099055 /nfs/dbraw/zinc/09/90/55/1198099055.db2.gz YVUZHIBFPYPQDE-YNEHKIRRSA-N 0 3 320.811 3.001 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cnc(C)s2)[C@@H]1C ZINC001676651051 1198358764 /nfs/dbraw/zinc/35/87/64/1198358764.db2.gz RWPNZTMVAJOERU-SWLSCSKDSA-N 0 3 321.490 3.133 20 30 DGEDHN CC/C(C)=C/C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001676728729 1198374188 /nfs/dbraw/zinc/37/41/88/1198374188.db2.gz FKEDTNKSZUQIIK-NAICIEFVSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CC1(CC(=O)N2C[C@H](NCC#CC)C[C@@H]2C)CCCCC1 ZINC001676762490 1198382426 /nfs/dbraw/zinc/38/24/26/1198382426.db2.gz KVKYPRVRCMSDBA-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(Cl)nc2)C[C@H]1C ZINC001676757169 1198382559 /nfs/dbraw/zinc/38/25/59/1198382559.db2.gz VSGAYWBPPDKSLQ-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001676774951 1198385157 /nfs/dbraw/zinc/38/51/57/1198385157.db2.gz OYFDCNOTCHUFOM-MAUKXSAKSA-N 0 3 312.457 3.200 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001676774953 1198385392 /nfs/dbraw/zinc/38/53/92/1198385392.db2.gz OYFDCNOTCHUFOM-YJBOKZPZSA-N 0 3 312.457 3.200 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC001676860114 1198412652 /nfs/dbraw/zinc/41/26/52/1198412652.db2.gz POZDHHFOQPONHX-KGLIPLIRSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001677063807 1198472134 /nfs/dbraw/zinc/47/21/34/1198472134.db2.gz BLGRTGCVJJPWEN-GOSISDBHSA-N 0 3 313.445 3.013 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(C)n([C@H](C)CC)n1)C(C)C ZINC001677204986 1198485110 /nfs/dbraw/zinc/48/51/10/1198485110.db2.gz JHWQPWPZASPEBL-OAHLLOKOSA-N 0 3 320.481 3.131 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)CCOC(C)C)C(C)C)CC1 ZINC001677211747 1198489004 /nfs/dbraw/zinc/48/90/04/1198489004.db2.gz XLLGDPQWMIBBNC-UHFFFAOYSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001691757724 1198722480 /nfs/dbraw/zinc/72/24/80/1198722480.db2.gz MAADCNPZEAILIO-HLLBOEOZSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(C)CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001682513679 1199167700 /nfs/dbraw/zinc/16/77/00/1199167700.db2.gz RGXORUMUXCZXPM-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001683814044 1199307059 /nfs/dbraw/zinc/30/70/59/1199307059.db2.gz KALXCWJDLRIJPM-JFIYKMOQSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001683814047 1199307373 /nfs/dbraw/zinc/30/73/73/1199307373.db2.gz KALXCWJDLRIJPM-NUJGCVRESA-N 0 3 319.493 3.247 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001683814046 1199308765 /nfs/dbraw/zinc/30/87/65/1199308765.db2.gz KALXCWJDLRIJPM-LZLYRXPVSA-N 0 3 319.493 3.247 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000300845016 1199390669 /nfs/dbraw/zinc/39/06/69/1199390669.db2.gz MVKRCFJEBCCMOT-KBPBESRZSA-N 0 3 309.454 3.304 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(c4cccc(C)c4)CCC3)C2)C1 ZINC001686305502 1199551425 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C=CCC[C@H](C(=O)N[C@@H](C)C1CN(CC)C1)c1ccccc1 ZINC001755391873 1200873947 /nfs/dbraw/zinc/87/39/47/1200873947.db2.gz LPXPYKNGBPMGGO-YJBOKZPZSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2F)[C@H]1CC ZINC001692007247 1200908516 /nfs/dbraw/zinc/90/85/16/1200908516.db2.gz JOCMEHVLXKICAQ-FHLIZLRMSA-N 0 3 318.436 3.159 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccco2)C1 ZINC001755481420 1200913590 /nfs/dbraw/zinc/91/35/90/1200913590.db2.gz JVHMHBTZQKWBGY-UBHSHLNASA-N 0 3 310.825 3.010 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001755482675 1200915224 /nfs/dbraw/zinc/91/52/24/1200915224.db2.gz FYBHNUSXEZBASZ-QAQDUYKDSA-N 0 3 320.864 3.083 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)CCCF ZINC001692116909 1200936321 /nfs/dbraw/zinc/93/63/21/1200936321.db2.gz JJKCBFJOBRETKE-UKRRQHHQSA-N 0 3 318.864 3.486 20 30 DGEDHN CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001692148110 1200948989 /nfs/dbraw/zinc/94/89/89/1200948989.db2.gz YYIDYINFDOLHGI-QZTJIDSGSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCC1(F)F ZINC001692254684 1200988652 /nfs/dbraw/zinc/98/86/52/1200988652.db2.gz NRLUUORLMDYHRS-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001692254596 1200990157 /nfs/dbraw/zinc/99/01/57/1200990157.db2.gz KZECXFIQUAWMOM-FJIDUMEYSA-N 0 3 304.478 3.312 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001755618783 1200995683 /nfs/dbraw/zinc/99/56/83/1200995683.db2.gz ZHBZVIYZUWCPBZ-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C[C@@H](C)c2ccco2)CC(C)(C)C1 ZINC001692280084 1201002763 /nfs/dbraw/zinc/00/27/63/1201002763.db2.gz OFBFHTYTVGFYRO-HZPDHXFCSA-N 0 3 316.445 3.013 20 30 DGEDHN CC(C)=CC(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001755695351 1201022818 /nfs/dbraw/zinc/02/28/18/1201022818.db2.gz SXJBRXKTTLAQKO-ICSRJNTNSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCC1(C(=O)N2CCCCC[C@H](NCCF)C2)CCCCC1 ZINC001692336269 1201025637 /nfs/dbraw/zinc/02/56/37/1201025637.db2.gz KLVRGSJMQJMZBU-KRWDZBQOSA-N 0 3 322.468 3.291 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001755701872 1201026967 /nfs/dbraw/zinc/02/69/67/1201026967.db2.gz NGDLHXIFLJVUGD-PKOBYXMFSA-N 0 3 313.445 3.051 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)c1ccccc1C ZINC001692362919 1201038050 /nfs/dbraw/zinc/03/80/50/1201038050.db2.gz VHPHKWXOFANDOI-SQNIBIBYSA-N 0 3 310.441 3.145 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(CCOCC2CCC2)[C@@H]1C ZINC001755719405 1201039850 /nfs/dbraw/zinc/03/98/50/1201039850.db2.gz YNCDXTOVEFTPJQ-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C\Cc1ccccc1 ZINC001692369238 1201042151 /nfs/dbraw/zinc/04/21/51/1201042151.db2.gz XXTQJMUOCLDVCT-COJDAZNPSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sc(C)nc2C)[C@H]1C ZINC001755722785 1201044243 /nfs/dbraw/zinc/04/42/43/1201044243.db2.gz TWUXVLUTHLMPEA-UKRRQHHQSA-N 0 3 321.490 3.309 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H](C)c1ccccc1 ZINC001692378163 1201044514 /nfs/dbraw/zinc/04/45/14/1201044514.db2.gz IDTRJIVTBCAORS-WDSOQIARSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNCc2csc(C)n2)C1 ZINC001755742196 1201056971 /nfs/dbraw/zinc/05/69/71/1201056971.db2.gz BIPTVIZLXZAERL-KGLIPLIRSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(F)c(OC)c1)C(C)C ZINC001755815064 1201079441 /nfs/dbraw/zinc/07/94/41/1201079441.db2.gz ZIYKFSRLUVPOEM-UHFFFAOYSA-N 0 3 322.424 3.193 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001755824537 1201090179 /nfs/dbraw/zinc/09/01/79/1201090179.db2.gz BYZQRRBEPKREDJ-AWEZNQCLSA-N 0 3 309.479 3.120 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1cnoc1C)C(C)(C)C ZINC001755829264 1201092567 /nfs/dbraw/zinc/09/25/67/1201092567.db2.gz AIKAFHRLLOZUBX-MAUKXSAKSA-N 0 3 321.465 3.206 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)CCC2CCCC2)CC1 ZINC001755845592 1201102455 /nfs/dbraw/zinc/10/24/55/1201102455.db2.gz PWJGTCOJCAMLJS-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001755845974 1201102915 /nfs/dbraw/zinc/10/29/15/1201102915.db2.gz HBLPLFHEOIJJJA-DLBZAZTESA-N 0 3 306.494 3.299 20 30 DGEDHN CN(C(=O)C1(C)CCCC1)C1CC(NCC#Cc2ccccc2)C1 ZINC001755859526 1201110073 /nfs/dbraw/zinc/11/00/73/1201110073.db2.gz WINOGKAVVWRHPW-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCCc2ccc(F)cc2)CC1 ZINC001755894541 1201124002 /nfs/dbraw/zinc/12/40/02/1201124002.db2.gz SHWRJHOCQJALMJ-UHFFFAOYSA-N 0 3 316.420 3.083 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccc(Cl)cc2)C1 ZINC001698568804 1201240252 /nfs/dbraw/zinc/24/02/52/1201240252.db2.gz KDZNLXQWEOUGAN-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001698570398 1201240647 /nfs/dbraw/zinc/24/06/47/1201240647.db2.gz UDCUPLADRIVYOU-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001698580642 1201256207 /nfs/dbraw/zinc/25/62/07/1201256207.db2.gz FMHIAVRBUHCZJF-HXUWFJFHSA-N 0 3 324.468 3.140 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2cccc(Cl)n2)C1 ZINC001698613347 1201282380 /nfs/dbraw/zinc/28/23/80/1201282380.db2.gz FXUKCMFLTYDEKA-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1c(C)nsc1C)C1CC1 ZINC001698644265 1201307997 /nfs/dbraw/zinc/30/79/97/1201307997.db2.gz CUUFDPPKTBJHAC-QGZVFWFLSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(CC)cc1)C1CC1 ZINC001698650686 1201312850 /nfs/dbraw/zinc/31/28/50/1201312850.db2.gz BOWDYKNOOSPZFU-SFHVURJKSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H](C)n1cccc1)C1CC1 ZINC001698653111 1201317473 /nfs/dbraw/zinc/31/74/73/1201317473.db2.gz OBFYMWBDOIETMI-WMLDXEAASA-N 0 3 323.868 3.066 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@]2(C)CC=C(C)CC2)cc1 ZINC001698719028 1201357424 /nfs/dbraw/zinc/35/74/24/1201357424.db2.gz BDGLAKYPOBAZPK-FQEVSTJZSA-N 0 3 310.441 3.162 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)c2cccc(C)c2)cc1 ZINC001698720090 1201359375 /nfs/dbraw/zinc/35/93/75/1201359375.db2.gz SPFJTWRNFNIQRV-QGZVFWFLSA-N 0 3 320.436 3.138 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)c(C)o2)CCCC1 ZINC001698795762 1201426036 /nfs/dbraw/zinc/42/60/36/1201426036.db2.gz GNNXRDRFDWKIAX-UHFFFAOYSA-N 0 3 310.825 3.281 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001698850715 1201506734 /nfs/dbraw/zinc/50/67/34/1201506734.db2.gz PCORTHZUUATIIE-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC001698868861 1201526502 /nfs/dbraw/zinc/52/65/02/1201526502.db2.gz BZZMBHQSRJDNDP-PKOBYXMFSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001698910923 1201571336 /nfs/dbraw/zinc/57/13/36/1201571336.db2.gz YGOGDIPEKUNZKV-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cncs1 ZINC001698940300 1201590369 /nfs/dbraw/zinc/59/03/69/1201590369.db2.gz OLJXLVFSNRVBEU-HOCLYGCPSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)COc1cccc(C(C)C)c1 ZINC001698988005 1201650264 /nfs/dbraw/zinc/65/02/64/1201650264.db2.gz LODCBEUXEMCIOM-UHFFFAOYSA-N 0 3 318.461 3.155 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)sc1C ZINC001699114929 1201715809 /nfs/dbraw/zinc/71/58/09/1201715809.db2.gz GDRNOZBGONXVDW-SNVBAGLBSA-N 0 3 300.855 3.215 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001749627439 1201711013 /nfs/dbraw/zinc/71/10/13/1201711013.db2.gz NSFRVYDJNGASKZ-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC001699126706 1201721502 /nfs/dbraw/zinc/72/15/02/1201721502.db2.gz OLKFZSUOZJYHBM-ZDUSSCGKSA-N 0 3 319.449 3.139 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001750946173 1201735066 /nfs/dbraw/zinc/73/50/66/1201735066.db2.gz BYDQRNOBADTAEJ-ZHMISCPASA-N 0 3 310.869 3.005 20 30 DGEDHN C#CCN(CCCNC(=O)CC[C@H]1CCc2ccccc21)C1CC1 ZINC001752294448 1201820904 /nfs/dbraw/zinc/82/09/04/1201820904.db2.gz XHJVCJZHZNNQAQ-GOSISDBHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1C1CC1 ZINC001699447323 1201885549 /nfs/dbraw/zinc/88/55/49/1201885549.db2.gz ZANNBQNTPBBZBP-HNNXBMFYSA-N 0 3 300.446 3.467 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@@H](C)C(C)(C)C ZINC001699451751 1201890194 /nfs/dbraw/zinc/89/01/94/1201890194.db2.gz YYCYMCGILWJBTQ-LSDHHAIUSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2cccnc2C)C1 ZINC001752786520 1201920427 /nfs/dbraw/zinc/92/04/27/1201920427.db2.gz UIVRDYHEHRCBBM-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(F)cc(C)cc1F ZINC001699521732 1201933661 /nfs/dbraw/zinc/93/36/61/1201933661.db2.gz OJMKVPJDGQUTIV-UHFFFAOYSA-N 0 3 316.779 3.077 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)C(C)(CC)CC ZINC001699554603 1201948305 /nfs/dbraw/zinc/94/83/05/1201948305.db2.gz UFINEBUHOUJUNW-UHFFFAOYSA-N 0 3 319.287 3.159 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](CCCC)C(C)C ZINC001752825040 1201953568 /nfs/dbraw/zinc/95/35/68/1201953568.db2.gz KJBXHQZCXKYFSP-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001699577732 1201955139 /nfs/dbraw/zinc/95/51/39/1201955139.db2.gz JUHKVHUVYUNGBK-LBPRGKRZSA-N 0 3 305.249 3.146 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001752831647 1201957695 /nfs/dbraw/zinc/95/76/95/1201957695.db2.gz JXBSDDBPJNGSPN-ZGOZOZORSA-N 0 3 302.462 3.212 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2ccccc2F)C2CC2)C1 ZINC001699588397 1201961136 /nfs/dbraw/zinc/96/11/36/1201961136.db2.gz BBFVGHBCHPGCTD-KRWDZBQOSA-N 0 3 316.420 3.166 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN1Cc1cccc2ccccc21 ZINC001699613022 1201975004 /nfs/dbraw/zinc/97/50/04/1201975004.db2.gz HXPKJYMVHIBXKJ-SFHVURJKSA-N 0 3 308.425 3.497 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1CCN1CCC1CCCCCC1 ZINC001699618716 1201982343 /nfs/dbraw/zinc/98/23/43/1201982343.db2.gz JPCRMUYZSCECEK-GOSISDBHSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001752877229 1201990179 /nfs/dbraw/zinc/99/01/79/1201990179.db2.gz PLWQKHSLMWBAQO-OLZOCXBDSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001699636246 1202003030 /nfs/dbraw/zinc/00/30/30/1202003030.db2.gz XWXIBOAKWDHNCJ-AEFFLSMTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001699646365 1202011942 /nfs/dbraw/zinc/01/19/42/1202011942.db2.gz AVYTTYCJMWDHEC-UHFFFAOYSA-N 0 3 310.800 3.184 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001699648123 1202012586 /nfs/dbraw/zinc/01/25/86/1202012586.db2.gz WOKOVSLSAXIXHQ-HOCLYGCPSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc3ncccc3c2)CC1 ZINC001699659534 1202018949 /nfs/dbraw/zinc/01/89/49/1202018949.db2.gz UQARHPBUOPSZBK-UHFFFAOYSA-N 0 3 323.440 3.185 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001752978827 1202033491 /nfs/dbraw/zinc/03/34/91/1202033491.db2.gz SDCRDMPXPZFKKV-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](CCCC)C(C)C)C2)C1 ZINC001699696832 1202037920 /nfs/dbraw/zinc/03/79/20/1202037920.db2.gz JMNYSNHWPSCGAX-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)CCCCCC)C2)C1 ZINC001699704888 1202042231 /nfs/dbraw/zinc/04/22/31/1202042231.db2.gz FQLPZOCBQDKRDF-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(Cl)s1 ZINC001753019438 1202063091 /nfs/dbraw/zinc/06/30/91/1202063091.db2.gz YVXLAERCBXFOKK-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccn(C)c1C ZINC001753033092 1202069613 /nfs/dbraw/zinc/06/96/13/1202069613.db2.gz DXISEUSSOKWYGV-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN C#CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)C1CCN(CC(=C)C)CC1 ZINC001699785330 1202077182 /nfs/dbraw/zinc/07/71/82/1202077182.db2.gz LHBOKUFWYSYBMM-QUCCMNQESA-N 0 3 316.489 3.171 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C=C(C)C)c1ccc2ccccc2c1 ZINC001699788450 1202079344 /nfs/dbraw/zinc/07/93/44/1202079344.db2.gz CXPIJMOLFSHQKG-LJQANCHMSA-N 0 3 306.409 3.186 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@H](C)CC)c1ccc2ccccc2c1 ZINC001699789859 1202079546 /nfs/dbraw/zinc/07/95/46/1202079546.db2.gz RYMAHCOAPPUBMW-DNVCBOLYSA-N 0 3 308.425 3.266 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001753049415 1202082294 /nfs/dbraw/zinc/08/22/94/1202082294.db2.gz BMCXHFSRYULDSA-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001699822360 1202097732 /nfs/dbraw/zinc/09/77/32/1202097732.db2.gz GJZGFHRGJCJQBP-IBGZPJMESA-N 0 3 312.413 3.050 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@]1(C)CCCN(CC#CC)C1)c1ccccc1 ZINC001699879743 1202135104 /nfs/dbraw/zinc/13/51/04/1202135104.db2.gz XATYJXDDGDVJEF-TZIWHRDSSA-N 0 3 324.468 3.198 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001699888908 1202136735 /nfs/dbraw/zinc/13/67/35/1202136735.db2.gz VJMUFDDSGJIAQT-KBPBESRZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001699928460 1202138776 /nfs/dbraw/zinc/13/87/76/1202138776.db2.gz SWONWPYPVXNRBP-JEFPTHFSSA-N 0 3 310.869 3.310 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001753118426 1202147552 /nfs/dbraw/zinc/14/75/52/1202147552.db2.gz HYADDLOSLCAWLU-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN CCC(=O)N(CCNCc1ccc(C#N)cc1)Cc1ccccc1 ZINC001699981023 1202156900 /nfs/dbraw/zinc/15/69/00/1202156900.db2.gz VNDMLIXZROQXCD-UHFFFAOYSA-N 0 3 321.424 3.087 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001699991810 1202160179 /nfs/dbraw/zinc/16/01/79/1202160179.db2.gz YGFLWIQKZILDEJ-GBESFXJTSA-N 0 3 316.489 3.173 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2c(o1)c(F)ccc2C)C1CC1 ZINC001753156871 1202173389 /nfs/dbraw/zinc/17/33/89/1202173389.db2.gz MHZAXVDFDRLAAL-UHFFFAOYSA-N 0 3 316.376 3.261 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001700089416 1202176244 /nfs/dbraw/zinc/17/62/44/1202176244.db2.gz BYWXWUXAXADDFY-MBOZVWFJSA-N 0 3 324.468 3.194 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1csc(C(C)C)n1)C1CC1 ZINC001753161607 1202176754 /nfs/dbraw/zinc/17/67/54/1202176754.db2.gz VBPAQQACWJJONN-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CCCC[C@@H](C)CC)C2)CC1 ZINC001700108456 1202183135 /nfs/dbraw/zinc/18/31/35/1202183135.db2.gz SAIALAIPDQNRPJ-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C3(CC)CCC3)cccc2C1 ZINC001700122434 1202184345 /nfs/dbraw/zinc/18/43/45/1202184345.db2.gz ACUBUVGMLACQAS-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(OC)c(Cl)c1 ZINC001753224371 1202185770 /nfs/dbraw/zinc/18/57/70/1202185770.db2.gz KGQFQBUSZHRBHL-UHFFFAOYSA-N 0 3 324.852 3.109 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc([C@H](C)CC)cc2)CCC1 ZINC001700142873 1202192049 /nfs/dbraw/zinc/19/20/49/1202192049.db2.gz HGLMXYOQUKTRNJ-MRXNPFEDSA-N 0 3 312.457 3.466 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001700171766 1202193044 /nfs/dbraw/zinc/19/30/44/1202193044.db2.gz AYPAYFLLZYFKGC-KRWDZBQOSA-N 0 3 304.409 3.263 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)C(F)(F)F)c1ccccc1 ZINC001753302131 1202201206 /nfs/dbraw/zinc/20/12/06/1202201206.db2.gz VHGMMBQICGXRSA-JSGCOSHPSA-N 0 3 314.351 3.208 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(OC)c(C)c1)c1ccccc1 ZINC001753312374 1202203406 /nfs/dbraw/zinc/20/34/06/1202203406.db2.gz QYDSFDPECRMAHR-SFHVURJKSA-N 0 3 324.424 3.250 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC001700193349 1202206497 /nfs/dbraw/zinc/20/64/97/1202206497.db2.gz XHPNWDWACIGWHX-SFHVURJKSA-N 0 3 314.473 3.374 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(CCC)[C@@H]1CCN(CC(=C)C)C1 ZINC001753324057 1202211242 /nfs/dbraw/zinc/21/12/42/1202211242.db2.gz WLHLWTOXRVVTSH-HXUWFJFHSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2ocnc2C2CC2)C1 ZINC001753327220 1202213225 /nfs/dbraw/zinc/21/32/25/1202213225.db2.gz IZJQNOSPCRFPCE-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCCCCC)C2 ZINC001700230050 1202216259 /nfs/dbraw/zinc/21/62/59/1202216259.db2.gz ODBONRSCCPPVIK-IBGZPJMESA-N 0 3 304.478 3.295 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CN(C)Cc2cncc(C)c2)C1 ZINC001753356403 1202226176 /nfs/dbraw/zinc/22/61/76/1202226176.db2.gz ZREQDHVMTSNACJ-QGZVFWFLSA-N 0 3 315.461 3.027 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001700292231 1202228166 /nfs/dbraw/zinc/22/81/66/1202228166.db2.gz ISGZYNMMLSUXJS-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cccc(C)c1Cl ZINC001700357628 1202246918 /nfs/dbraw/zinc/24/69/18/1202246918.db2.gz QKWRRYLXSQUSNG-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C ZINC001753419505 1202248182 /nfs/dbraw/zinc/24/81/82/1202248182.db2.gz BKZIXGPMEMZEMB-HOTGVXAUSA-N 0 3 303.450 3.192 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C12CCC(CC1)C2(C)C ZINC001700360155 1202248837 /nfs/dbraw/zinc/24/88/37/1202248837.db2.gz BSTKCERLPYJSRG-KOHRHEQBSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001700365381 1202251893 /nfs/dbraw/zinc/25/18/93/1202251893.db2.gz OTZVNLHKIGYLAX-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)C(F)(F)F ZINC001700444105 1202274112 /nfs/dbraw/zinc/27/41/12/1202274112.db2.gz GRRKQEFBFCRPFB-JTQLQIEISA-N 0 3 314.779 3.012 20 30 DGEDHN CC(C)c1ccccc1CN1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001753433742 1202253202 /nfs/dbraw/zinc/25/32/02/1202253202.db2.gz MULRICJGWFIZEK-DOTOQJQBSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)c1F ZINC001700396709 1202261198 /nfs/dbraw/zinc/26/11/98/1202261198.db2.gz YAYMLGNMCKEHDQ-VXGBXAGGSA-N 0 3 312.816 3.428 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001700399623 1202262283 /nfs/dbraw/zinc/26/22/83/1202262283.db2.gz FTIIBSHVDPTTQW-IAGOWNOFSA-N 0 3 314.473 3.347 20 30 DGEDHN C/C=C(\C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001753470204 1202267792 /nfs/dbraw/zinc/26/77/92/1202267792.db2.gz OJRDQEBGDAUIFT-XIYYVKAQSA-N 0 3 318.848 3.142 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001700458927 1202280256 /nfs/dbraw/zinc/28/02/56/1202280256.db2.gz AVWSCAVVLPMGMW-KGLIPLIRSA-N 0 3 322.399 3.122 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](CC)SC)C1 ZINC001753544132 1202286984 /nfs/dbraw/zinc/28/69/84/1202286984.db2.gz OLYQHRYBIRSLJC-UONOGXRCSA-N 0 3 318.914 3.099 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC001753544131 1202287073 /nfs/dbraw/zinc/28/70/73/1202287073.db2.gz OLYQHRYBIRSLJC-KGLIPLIRSA-N 0 3 318.914 3.099 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2c(s1)CCCCC2 ZINC001700485150 1202294211 /nfs/dbraw/zinc/29/42/11/1202294211.db2.gz ILMRBINWRGSEQJ-CYBMUJFWSA-N 0 3 306.475 3.253 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@@H](CC)C(C)(C)C)cc1 ZINC001753591892 1202294813 /nfs/dbraw/zinc/29/48/13/1202294813.db2.gz RDRDBUZFMBCICL-GOSISDBHSA-N 0 3 314.473 3.488 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC001753590727 1202295131 /nfs/dbraw/zinc/29/51/31/1202295131.db2.gz MKUIANDXYPYHQU-GOSISDBHSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001700530190 1202307013 /nfs/dbraw/zinc/30/70/13/1202307013.db2.gz BBLNFAFHOPBZBY-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001700551229 1202311919 /nfs/dbraw/zinc/31/19/19/1202311919.db2.gz RYEUGJITZUUTKQ-QWHCGFSZSA-N 0 3 322.399 3.081 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCc2sccc2C)C1 ZINC001700552207 1202312213 /nfs/dbraw/zinc/31/22/13/1202312213.db2.gz YJEXKGNDVHWWFJ-OAHLLOKOSA-N 0 3 320.502 3.392 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001700571556 1202316101 /nfs/dbraw/zinc/31/61/01/1202316101.db2.gz UOQGMTIIMXADLQ-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(F)cc1C ZINC001700684423 1202334001 /nfs/dbraw/zinc/33/40/01/1202334001.db2.gz UFAZONGWIVCKOZ-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN CCC1(C(=O)N2CCC(N(C)CC#Cc3ccccc3)CC2)CC1 ZINC001700695550 1202337090 /nfs/dbraw/zinc/33/70/90/1202337090.db2.gz LCGRVANJLXSUHJ-UHFFFAOYSA-N 0 3 324.468 3.151 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1sccc1C)C(C)C ZINC001753822466 1202340433 /nfs/dbraw/zinc/34/04/33/1202340433.db2.gz JMDRRPGQEFKYBC-GFCCVEGCSA-N 0 3 300.855 3.153 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1cccc(F)c1F)C1CC1 ZINC001700723004 1202342945 /nfs/dbraw/zinc/34/29/45/1202342945.db2.gz ZKROWHKODQWSBU-INIZCTEOSA-N 0 3 322.399 3.258 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001753829015 1202343224 /nfs/dbraw/zinc/34/32/24/1202343224.db2.gz MKKZMGVAFPRSFO-FCUDFIOSSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H]1CCC(F)(F)C1)C(C)C ZINC001753831093 1202343591 /nfs/dbraw/zinc/34/35/91/1202343591.db2.gz MOPXYSNJLZDFJP-OLZOCXBDSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H]1CCC(F)(F)C1)C(C)C ZINC001753831095 1202343841 /nfs/dbraw/zinc/34/38/41/1202343841.db2.gz MOPXYSNJLZDFJP-STQMWFEESA-N 0 3 322.827 3.295 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001700744764 1202347065 /nfs/dbraw/zinc/34/70/65/1202347065.db2.gz DKBSRQXGBQFYTP-UONOGXRCSA-N 0 3 321.490 3.383 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(F)c2ccccc12 ZINC001700765608 1202350914 /nfs/dbraw/zinc/35/09/14/1202350914.db2.gz BJQKACQEEDMXPQ-AWEZNQCLSA-N 0 3 312.388 3.052 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CCCC)C(C)C)CCC[C@H]12 ZINC001700867126 1202362012 /nfs/dbraw/zinc/36/20/12/1202362012.db2.gz LTXCZABJGSPHGN-ZIFCJYIRSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cnco2)[C@@H]1C ZINC001700882514 1202365037 /nfs/dbraw/zinc/36/50/37/1202365037.db2.gz SYFGOBPGGFGCKL-LSDHHAIUSA-N 0 3 305.422 3.004 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cccc(F)c2F)[C@@H]1C ZINC001700884860 1202365642 /nfs/dbraw/zinc/36/56/42/1202365642.db2.gz JMLOMFFJPBXLEG-BBRMVZONSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2nccs2)C1 ZINC001700902211 1202367965 /nfs/dbraw/zinc/36/79/65/1202367965.db2.gz RRLWNUWRMPBHPS-ZIAGYGMSSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)cc(F)c1)C(C)C ZINC001700974104 1202373796 /nfs/dbraw/zinc/37/37/96/1202373796.db2.gz WAELLQMCNOZESL-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H](C)n1cccc1)C(C)C ZINC001700975975 1202374481 /nfs/dbraw/zinc/37/44/81/1202374481.db2.gz DTPCNEZDVINDLX-QGZVFWFLSA-N 0 3 305.466 3.184 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1csc(Cl)c1)C(C)C ZINC001700975477 1202374538 /nfs/dbraw/zinc/37/45/38/1202374538.db2.gz PXBVCDIRBGBSNR-UHFFFAOYSA-N 0 3 300.855 3.370 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCC)CC[C@H]1C(F)(F)F ZINC001701013326 1202381436 /nfs/dbraw/zinc/38/14/36/1202381436.db2.gz YAYBRBSMYDUHLS-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C/C=C(/C)C=C)CC[C@H]1C(F)(F)F ZINC001701015374 1202381679 /nfs/dbraw/zinc/38/16/79/1202381679.db2.gz RMJIJZXXAOFXND-NGPFNDBQSA-N 0 3 316.367 3.064 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(C)CC)CC[C@H]1C(F)(F)F ZINC001701014804 1202381684 /nfs/dbraw/zinc/38/16/84/1202381684.db2.gz HNNLLHFVNMNQDA-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccccc2C)C1 ZINC001701024049 1202382715 /nfs/dbraw/zinc/38/27/15/1202382715.db2.gz WEVOTFIJIOWFLO-UHFFFAOYSA-N 0 3 320.864 3.259 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCCc2ccc(C)cc2)CC1 ZINC001701055356 1202385645 /nfs/dbraw/zinc/38/56/45/1202385645.db2.gz DQFACDFGGQIOQE-UHFFFAOYSA-N 0 3 312.457 3.252 20 30 DGEDHN C=CCC1(C(=O)NCC2=CCN(CC=C(C)C)CC2)CCC1 ZINC001701056954 1202385786 /nfs/dbraw/zinc/38/57/86/1202385786.db2.gz YVHXIVFXRFCFAV-UHFFFAOYSA-N 0 3 302.462 3.447 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c(F)c1 ZINC001701066439 1202386777 /nfs/dbraw/zinc/38/67/77/1202386777.db2.gz YUPHUYLGMQTHIK-YQQAZPJKSA-N 0 3 316.420 3.154 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001707063853 1202571014 /nfs/dbraw/zinc/57/10/14/1202571014.db2.gz RSJYBRTVDIQMHV-QZTJIDSGSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001707063855 1202571124 /nfs/dbraw/zinc/57/11/24/1202571124.db2.gz RSJYBRTVDIQMHV-ROUUACIJSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001707075713 1202571763 /nfs/dbraw/zinc/57/17/63/1202571763.db2.gz STQCQNPBZLWRPV-ARLBYUKCSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncc(C)c1 ZINC001707155574 1202574738 /nfs/dbraw/zinc/57/47/38/1202574738.db2.gz URLBQGBTVFNFER-QAPCUYQASA-N 0 3 315.461 3.073 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC)c1ccccc1 ZINC001707202411 1202576342 /nfs/dbraw/zinc/57/63/42/1202576342.db2.gz AYLXIFINPGZXID-SLFFLAALSA-N 0 3 324.468 3.339 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC001707250990 1202578452 /nfs/dbraw/zinc/57/84/52/1202578452.db2.gz YTYNMJUAPMFZIW-QAPCUYQASA-N 0 3 323.440 3.050 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001707273325 1202579738 /nfs/dbraw/zinc/57/97/38/1202579738.db2.gz UABWUVOMGJNZNI-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001707273324 1202579920 /nfs/dbraw/zinc/57/99/20/1202579920.db2.gz UABWUVOMGJNZNI-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)C(C)(C)C)C2 ZINC001707274417 1202580083 /nfs/dbraw/zinc/58/00/83/1202580083.db2.gz FXEUKXSVHLZRJE-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ncccc1C ZINC001707441998 1202585083 /nfs/dbraw/zinc/58/50/83/1202585083.db2.gz RHABRADYEDOHOU-FUHWJXTLSA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001712951926 1202605838 /nfs/dbraw/zinc/60/58/38/1202605838.db2.gz DDAOIYZQXRVWHY-IYARVYRRSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001713081114 1202614746 /nfs/dbraw/zinc/61/47/46/1202614746.db2.gz TZCJSMWQVHSHIG-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2scnc2CC)C1 ZINC001713082976 1202615214 /nfs/dbraw/zinc/61/52/14/1202615214.db2.gz JFBVMWSXWGVOPI-AWEZNQCLSA-N 0 3 323.506 3.480 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001713088261 1202616231 /nfs/dbraw/zinc/61/62/31/1202616231.db2.gz ADYALDYYAHIZSY-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](CCC)OC)CC1 ZINC001713100798 1202617142 /nfs/dbraw/zinc/61/71/42/1202617142.db2.gz HTMAMDBMGKGQKD-KRWDZBQOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001713101377 1202617203 /nfs/dbraw/zinc/61/72/03/1202617203.db2.gz SFBLJELCLMJVOW-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)CCC1 ZINC001713167697 1202623628 /nfs/dbraw/zinc/62/36/28/1202623628.db2.gz HKHAQHFDMNRKRE-HAQNSBGRSA-N 0 3 317.260 3.289 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2ccc(Cl)nc2)CCC1 ZINC001713337470 1202640446 /nfs/dbraw/zinc/64/04/46/1202640446.db2.gz QYBKDLXNOREUCF-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC001713377081 1202643024 /nfs/dbraw/zinc/64/30/24/1202643024.db2.gz NAXQEKGPTVPGOC-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001713397913 1202645313 /nfs/dbraw/zinc/64/53/13/1202645313.db2.gz SAOCSYPRONJAED-HKUYNNGSSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)NCc1cccc(F)c1Cl ZINC001713403240 1202646151 /nfs/dbraw/zinc/64/61/51/1202646151.db2.gz DRCCPTFAHNCBQF-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN CC/C=C(\C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001713404394 1202646341 /nfs/dbraw/zinc/64/63/41/1202646341.db2.gz XOKIKFKWZKYFJJ-BRRGFWCPSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001713414113 1202647238 /nfs/dbraw/zinc/64/72/38/1202647238.db2.gz PDCCEFCTBHBJEY-OAHLLOKOSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001713423226 1202648132 /nfs/dbraw/zinc/64/81/32/1202648132.db2.gz LWEPOOHOCLEOFC-LBPRGKRZSA-N 0 3 300.874 3.296 20 30 DGEDHN CC1(C(=O)NCCC[C@@H]2CCCN2CC#Cc2ccccc2)CC1 ZINC001713432272 1202649226 /nfs/dbraw/zinc/64/92/26/1202649226.db2.gz ZJTFORXRVBZUHD-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001713463242 1202653310 /nfs/dbraw/zinc/65/33/10/1202653310.db2.gz VKELALWAZQLKBU-QGZVFWFLSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001713462740 1202653331 /nfs/dbraw/zinc/65/33/31/1202653331.db2.gz CZZKXIZXTKVHOM-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC[C@H](C)c1ccccc1 ZINC001713514799 1202663207 /nfs/dbraw/zinc/66/32/07/1202663207.db2.gz IRXUSQWERNYGRQ-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc(C)c1Cl)C1CC1 ZINC001713563977 1202671255 /nfs/dbraw/zinc/67/12/55/1202671255.db2.gz GJYCSUSZBBVTJY-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](C)c1ccc(Cl)s1)C1CC1 ZINC001713563892 1202671376 /nfs/dbraw/zinc/67/13/76/1202671376.db2.gz CXKURTZAAZCKOO-NSHDSACASA-N 0 3 312.866 3.272 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001713646254 1202674673 /nfs/dbraw/zinc/67/46/73/1202674673.db2.gz DOKLJESXBBYGKI-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(CCF)CC1)c1ccccc1 ZINC001713701087 1202678506 /nfs/dbraw/zinc/67/85/06/1202678506.db2.gz QSJLDINWVVEVEO-MRXNPFEDSA-N 0 3 304.409 3.149 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001713715658 1202680221 /nfs/dbraw/zinc/68/02/21/1202680221.db2.gz ACPRTXBQMFONHJ-IBGZPJMESA-N 0 3 314.473 3.213 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001713790823 1202691016 /nfs/dbraw/zinc/69/10/16/1202691016.db2.gz JZOUBPNVIOIREM-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001713794300 1202691651 /nfs/dbraw/zinc/69/16/51/1202691651.db2.gz LPURMLXHPLTPGW-OLZOCXBDSA-N 0 3 310.438 3.436 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001713838579 1202694488 /nfs/dbraw/zinc/69/44/88/1202694488.db2.gz SSKRWGUMNGRASQ-DLBZAZTESA-N 0 3 304.409 3.086 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1cnc(C)s1)C1CC1 ZINC001713877181 1202698071 /nfs/dbraw/zinc/69/80/71/1202698071.db2.gz USIVHYKBWGLXTG-NVXWUHKLSA-N 0 3 321.490 3.038 20 30 DGEDHN CC(C)c1ccc([C@H](C)N2CC(CNC(=O)[C@H](C)C#N)C2)cc1 ZINC001713893570 1202700154 /nfs/dbraw/zinc/70/01/54/1202700154.db2.gz JADWVYBJUADELP-CABCVRRESA-N 0 3 313.445 3.079 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(F)(F)F ZINC001713909212 1202701415 /nfs/dbraw/zinc/70/14/15/1202701415.db2.gz BUMJYRCYDSSSFC-RQJABVFESA-N 0 3 318.383 3.215 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(Cc3ccccc3C3CC3)C2)C1 ZINC001713918129 1202702175 /nfs/dbraw/zinc/70/21/75/1202702175.db2.gz XEZYAISJRRILDW-UHFFFAOYSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(F)F ZINC001713941214 1202704072 /nfs/dbraw/zinc/70/40/72/1202704072.db2.gz VHRKBNGZZZWHEE-IHRRRGAJSA-N 0 3 314.420 3.308 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CCC ZINC001713940000 1202704131 /nfs/dbraw/zinc/70/41/31/1202704131.db2.gz ROIHCVKCZNOEFY-JYJNAYRXSA-N 0 3 316.445 3.486 20 30 DGEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1=CCCCCC1 ZINC001713946669 1202704563 /nfs/dbraw/zinc/70/45/63/1202704563.db2.gz RUUISSXQHGVLAZ-MXVIHJGJSA-N 0 3 322.452 3.165 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001713958238 1202706419 /nfs/dbraw/zinc/70/64/19/1202706419.db2.gz WTXLOOJGRSFMNQ-HKUYNNGSSA-N 0 3 300.446 3.288 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001713987858 1202716032 /nfs/dbraw/zinc/71/60/32/1202716032.db2.gz FGKSSPGJUJWFTI-HDICACEKSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001714002060 1202722254 /nfs/dbraw/zinc/72/22/54/1202722254.db2.gz NRGTWMVBTFPVJF-BNOWGMLFSA-N 0 3 322.399 3.475 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001714003567 1202723271 /nfs/dbraw/zinc/72/32/71/1202723271.db2.gz HIUGVDLCJMGBJN-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001714004319 1202723597 /nfs/dbraw/zinc/72/35/97/1202723597.db2.gz JQQKJTLRHUVENX-CALCHBBNSA-N 0 3 320.864 3.307 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC(C)(C)c2ccccc2)C1 ZINC001714024165 1202734088 /nfs/dbraw/zinc/73/40/88/1202734088.db2.gz CZYJWCYWGXVDJV-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001714023768 1202734187 /nfs/dbraw/zinc/73/41/87/1202734187.db2.gz MRDDUSDTHHSDAX-KSQPQJEDSA-N 0 3 318.848 3.388 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)CC2CCCCC2)C1 ZINC001714027410 1202736483 /nfs/dbraw/zinc/73/64/83/1202736483.db2.gz NHYOHGYVNYFFFJ-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001714032237 1202739733 /nfs/dbraw/zinc/73/97/33/1202739733.db2.gz CVVSDDWTGNSYMY-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCCC(=O)N(CC)[C@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC001714032765 1202741119 /nfs/dbraw/zinc/74/11/19/1202741119.db2.gz MNWDTWNZMDKOFV-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](C)CCCCCC)C1 ZINC001714044501 1202748662 /nfs/dbraw/zinc/74/86/62/1202748662.db2.gz RDRZKOYXQQSQBE-MSOLQXFVSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001714049871 1202752292 /nfs/dbraw/zinc/75/22/92/1202752292.db2.gz LZPBGTAODKCITJ-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001714053943 1202755289 /nfs/dbraw/zinc/75/52/89/1202755289.db2.gz QSEXXOABDZGBAJ-AZUAARDMSA-N 0 3 324.468 3.292 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1cnc(C)s1 ZINC001714103473 1202777194 /nfs/dbraw/zinc/77/71/94/1202777194.db2.gz FOAWWDKLOOIMHN-BBRMVZONSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2ccncc2Cl)CCCC1 ZINC001714130536 1202794410 /nfs/dbraw/zinc/79/44/10/1202794410.db2.gz DCLNKYXHHUVYHC-UHFFFAOYSA-N 0 3 321.852 3.220 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001714142044 1202797793 /nfs/dbraw/zinc/79/77/93/1202797793.db2.gz CTBKYNNXQVEMKL-XMNQGQKYSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001714142042 1202798141 /nfs/dbraw/zinc/79/81/41/1202798141.db2.gz CTBKYNNXQVEMKL-MMCLNADLSA-N 0 3 302.462 3.067 20 30 DGEDHN C=CCC1(C(=O)N2CCCC[C@H]2CNCCF)CCCCC1 ZINC001714142342 1202799388 /nfs/dbraw/zinc/79/93/88/1202799388.db2.gz SHVBSSIPSMDDDN-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CC/C=C\c2ccccc2)C1 ZINC001714153439 1202807250 /nfs/dbraw/zinc/80/72/50/1202807250.db2.gz HVDSAEYSIQCUTB-FJUFFASXSA-N 0 3 324.468 3.330 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](F)c1ccccc1)C1CC1 ZINC001714172756 1202815578 /nfs/dbraw/zinc/81/55/78/1202815578.db2.gz BXNSYNOBHCIGCA-DOTOQJQBSA-N 0 3 324.827 3.324 20 30 DGEDHN C=CCCC(=O)NC1CCC(NCc2cc(C3CC3)no2)CC1 ZINC001714182428 1202821675 /nfs/dbraw/zinc/82/16/75/1202821675.db2.gz PJEKHSDPHLNMRM-UHFFFAOYSA-N 0 3 317.433 3.035 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001714229397 1202840616 /nfs/dbraw/zinc/84/06/16/1202840616.db2.gz MPWWLWBXTGOBAO-ZIAGYGMSSA-N 0 3 322.399 3.314 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC001714233452 1202841813 /nfs/dbraw/zinc/84/18/13/1202841813.db2.gz VLZDMIIBEVUOPT-ZIAGYGMSSA-N 0 3 306.837 3.155 20 30 DGEDHN C/C=C(/C)C(=O)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC001714325523 1202883562 /nfs/dbraw/zinc/88/35/62/1202883562.db2.gz STMKLKQXXQIOEJ-ZUWFHJRGSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC001714406179 1202915946 /nfs/dbraw/zinc/91/59/46/1202915946.db2.gz FIRNDZWEFCPOKM-HZPDHXFCSA-N 0 3 319.449 3.165 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001714452551 1202942265 /nfs/dbraw/zinc/94/22/65/1202942265.db2.gz GCHLMRWNULEQHP-MJGOQNOKSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CCCC1 ZINC001714496221 1202962915 /nfs/dbraw/zinc/96/29/15/1202962915.db2.gz NECADQVCEPYXBR-ILXRZTDVSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C2CC2)cc1 ZINC001714501061 1202965208 /nfs/dbraw/zinc/96/52/08/1202965208.db2.gz XMKVMINZOLKJHB-CYBMUJFWSA-N 0 3 306.837 3.415 20 30 DGEDHN CCCCC(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001714547417 1202992266 /nfs/dbraw/zinc/99/22/66/1202992266.db2.gz BJFCKUFEJFFWMM-OAHLLOKOSA-N 0 3 320.864 3.318 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CCC1CCC1 ZINC001714579441 1203021214 /nfs/dbraw/zinc/02/12/14/1203021214.db2.gz XQFTVISPJQTBPR-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001714621162 1203055843 /nfs/dbraw/zinc/05/58/43/1203055843.db2.gz NYWWCZPGBOCWNF-GOSISDBHSA-N 0 3 314.473 3.293 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001714620882 1203056201 /nfs/dbraw/zinc/05/62/01/1203056201.db2.gz OQPVJYOOMIPVJK-INIZCTEOSA-N 0 3 312.413 3.050 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CCCC2CCCCC2)C1 ZINC001714644045 1203071161 /nfs/dbraw/zinc/07/11/61/1203071161.db2.gz BNBMEZBJIYTYDZ-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)CCCC2CCCCC2)C1 ZINC001714644042 1203071167 /nfs/dbraw/zinc/07/11/67/1203071167.db2.gz BNBMEZBJIYTYDZ-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC001714677209 1203097701 /nfs/dbraw/zinc/09/77/01/1203097701.db2.gz ZGNHHNFNEQFKAH-ZDUSSCGKSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](C)c1cccc(Cl)c1)C1CC1 ZINC001714677208 1203098167 /nfs/dbraw/zinc/09/81/67/1203098167.db2.gz ZGNHHNFNEQFKAH-CYBMUJFWSA-N 0 3 306.837 3.210 20 30 DGEDHN CC#CCNCCN(C)C(=O)c1ccccc1C(C)(C)CC ZINC001714722831 1203109540 /nfs/dbraw/zinc/10/95/40/1203109540.db2.gz JEWPSYBYKRVJSQ-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001714744489 1203115852 /nfs/dbraw/zinc/11/58/52/1203115852.db2.gz FTEAODXIXBRIGN-CQSZACIVSA-N 0 3 322.399 3.267 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2cccnc2C)CCCC1 ZINC001714803374 1203130872 /nfs/dbraw/zinc/13/08/72/1203130872.db2.gz OIOVKNTXDANSAV-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(C)C[NH2+][C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001714836620 1203146113 /nfs/dbraw/zinc/14/61/13/1203146113.db2.gz ULEVKEYGZDYPQZ-KRWDZBQOSA-N 0 3 310.397 3.029 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC001714843742 1203148689 /nfs/dbraw/zinc/14/86/89/1203148689.db2.gz FRHZDMSDDRVBII-FQEVSTJZSA-N 0 3 320.436 3.008 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccccc1OC)c1ccccc1 ZINC001714851552 1203152022 /nfs/dbraw/zinc/15/20/22/1203152022.db2.gz XJZVXQASFFVEMI-GOSISDBHSA-N 0 3 324.424 3.332 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001714864841 1203164267 /nfs/dbraw/zinc/16/42/67/1203164267.db2.gz FSHGICARZGALJD-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001714877539 1203172767 /nfs/dbraw/zinc/17/27/67/1203172767.db2.gz ZIIQAPHZVTXPKL-BRWVUGGUSA-N 0 3 316.445 3.272 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cnccc1C)CC(C)C ZINC001714927467 1203203475 /nfs/dbraw/zinc/20/34/75/1203203475.db2.gz OXAQYIRLUZDJBQ-QGZVFWFLSA-N 0 3 317.477 3.223 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001714969864 1203220849 /nfs/dbraw/zinc/22/08/49/1203220849.db2.gz HIGZLKVJIUGEMM-INIZCTEOSA-N 0 3 314.473 3.399 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccncc2)C1 ZINC001715036304 1203246631 /nfs/dbraw/zinc/24/66/31/1203246631.db2.gz CPDSLFGYOLSNBU-AEFFLSMTSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccncc2)C1 ZINC001715036307 1203246926 /nfs/dbraw/zinc/24/69/26/1203246926.db2.gz CPDSLFGYOLSNBU-WMZOPIPTSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](C)C(C)C ZINC001715228714 1203300148 /nfs/dbraw/zinc/30/01/48/1203300148.db2.gz YQSCKXMUOQELKK-CABCVRRESA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001715522792 1203359960 /nfs/dbraw/zinc/35/99/60/1203359960.db2.gz FOOFOPPISOYJEA-GOSISDBHSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CCC[C@H](C)[NH2+][C@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001715525724 1203361584 /nfs/dbraw/zinc/36/15/84/1203361584.db2.gz FGGOIZRZJQEAQR-GOEBONIOSA-N 0 3 304.434 3.091 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C/C=C/c1ccc(C)cc1 ZINC001715540283 1203367791 /nfs/dbraw/zinc/36/77/91/1203367791.db2.gz PKKLYXAVPPVMSJ-VOTSOKGWSA-N 0 3 300.446 3.365 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC001715540282 1203368158 /nfs/dbraw/zinc/36/81/58/1203368158.db2.gz PKKLYXAVPPVMSJ-SREVYHEPSA-N 0 3 300.446 3.365 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1nc(C)c(C)s1 ZINC001715547990 1203369485 /nfs/dbraw/zinc/36/94/85/1203369485.db2.gz MDKZDASCYKERBM-CABCVRRESA-N 0 3 321.490 3.101 20 30 DGEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC(C)(C)C ZINC001715720524 1203384200 /nfs/dbraw/zinc/38/42/00/1203384200.db2.gz MMQDKVXEAOGPHD-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001715745355 1203386746 /nfs/dbraw/zinc/38/67/46/1203386746.db2.gz NMSXVPOKALUDML-UHFFFAOYSA-N 0 3 314.429 3.109 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001715748462 1203387102 /nfs/dbraw/zinc/38/71/02/1203387102.db2.gz HIIAIPIUNXHRES-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CN[C@H](C)c1ccc(Cl)cc1 ZINC001715812322 1203394699 /nfs/dbraw/zinc/39/46/99/1203394699.db2.gz UNJUQNNFQLOKHU-IDTUSYRASA-N 0 3 318.848 3.467 20 30 DGEDHN C=CCCCC(=O)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001715858151 1203398115 /nfs/dbraw/zinc/39/81/15/1203398115.db2.gz HMZYMCNOFQOMRY-OOFWQKGWSA-N 0 3 316.420 3.431 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc2ccccc2c1C ZINC001715895309 1203401619 /nfs/dbraw/zinc/40/16/19/1203401619.db2.gz LUPKTBLUBZTNJV-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC001715985317 1203416505 /nfs/dbraw/zinc/41/65/05/1203416505.db2.gz WEULAXFBDIZNRG-CQSZACIVSA-N 0 3 300.402 3.113 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CCCc2ccccc21 ZINC001715994547 1203417778 /nfs/dbraw/zinc/41/77/78/1203417778.db2.gz CTVSGDAMEZBGQS-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001716019071 1203424187 /nfs/dbraw/zinc/42/41/87/1203424187.db2.gz YCHYRJADZPIQNW-OLZOCXBDSA-N 0 3 310.388 3.429 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCc1scnc1C ZINC001716033781 1203429554 /nfs/dbraw/zinc/42/95/54/1203429554.db2.gz GNZWMESXPHWANX-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCOc1ccccc1C ZINC001716036008 1203430580 /nfs/dbraw/zinc/43/05/80/1203430580.db2.gz VSSZGMXPCABBES-INIZCTEOSA-N 0 3 318.461 3.023 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1cscn1 ZINC001716066512 1203438095 /nfs/dbraw/zinc/43/80/95/1203438095.db2.gz HAGPDIFVPYQYEI-DZGCQCFKSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2ccncc2s1 ZINC001716145810 1203443166 /nfs/dbraw/zinc/44/31/66/1203443166.db2.gz MHWXXVFXGNJETG-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc2ccccc2c1 ZINC001716177595 1203446234 /nfs/dbraw/zinc/44/62/34/1203446234.db2.gz ZSVOYGNMJHAFDV-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1coc2ccccc21 ZINC001716201138 1203448553 /nfs/dbraw/zinc/44/85/53/1203448553.db2.gz UDRBXZAMSORACM-GFCCVEGCSA-N 0 3 306.793 3.283 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1csc(C)c1 ZINC001716299159 1203458116 /nfs/dbraw/zinc/45/81/16/1203458116.db2.gz INKOHPXHOJKDOS-VOTSOKGWSA-N 0 3 306.475 3.421 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001716459748 1203477896 /nfs/dbraw/zinc/47/78/96/1203477896.db2.gz VOLWMUGZYYCYHS-PKOBYXMFSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001716501882 1203493477 /nfs/dbraw/zinc/49/34/77/1203493477.db2.gz JJORLSVXDVHHLE-LSDHHAIUSA-N 0 3 304.434 3.100 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cscn1 ZINC001716514112 1203497895 /nfs/dbraw/zinc/49/78/95/1203497895.db2.gz KRCKEIJDQFSJBF-GOEBONIOSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cc(C)no1 ZINC001716514596 1203498015 /nfs/dbraw/zinc/49/80/15/1203498015.db2.gz NNVUIWYWDGUWKE-DOTOQJQBSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1CNCc1nccs1 ZINC001716513543 1203498040 /nfs/dbraw/zinc/49/80/40/1203498040.db2.gz DBEUEQPCEGGANR-CABCVRRESA-N 0 3 321.490 3.264 20 30 DGEDHN C#CCCCC(=O)N(C)CCCNCc1cc(Cl)ccc1F ZINC001716540114 1203500983 /nfs/dbraw/zinc/50/09/83/1203500983.db2.gz ZAESWXPNLLGFCC-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001716582284 1203504300 /nfs/dbraw/zinc/50/43/00/1203504300.db2.gz XVPZUVVZGYCCNH-UHFFFAOYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ccc(F)cc1Cl)C1CC1 ZINC001716605580 1203505711 /nfs/dbraw/zinc/50/57/11/1203505711.db2.gz CIMATXRLDBGRLW-MRXNPFEDSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001716654435 1203514402 /nfs/dbraw/zinc/51/44/02/1203514402.db2.gz BZTGMGGETLGRSC-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1cccc(C)c1 ZINC001716657254 1203515131 /nfs/dbraw/zinc/51/51/31/1203515131.db2.gz ICXFDFVCMOUEPK-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001716660284 1203516642 /nfs/dbraw/zinc/51/66/42/1203516642.db2.gz PJGWMVWSJCBSJE-ICSRJNTNSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001716666998 1203519121 /nfs/dbraw/zinc/51/91/21/1203519121.db2.gz ROMVWHKEQSNDCQ-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001716671295 1203521487 /nfs/dbraw/zinc/52/14/87/1203521487.db2.gz MFFJPYLTIRFPQK-INIZCTEOSA-N 0 3 304.409 3.213 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)[C@H](C)CC)C2)CC1 ZINC001716727349 1203532952 /nfs/dbraw/zinc/53/29/52/1203532952.db2.gz AEGAACROOXKBKJ-SJORKVTESA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](CC)CCC)C2)CC1 ZINC001716728133 1203533368 /nfs/dbraw/zinc/53/33/68/1203533368.db2.gz OSWKRQJMVRSHMY-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CCC[C@H]1C)C1CCN(CC(=C)C)CC1 ZINC001716806769 1203545427 /nfs/dbraw/zinc/54/54/27/1203545427.db2.gz IMUHNNTWZCOYDD-QZTJIDSGSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)CC1(C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001716807852 1203545648 /nfs/dbraw/zinc/54/56/48/1203545648.db2.gz ZXNHXZKHBGACAW-UHFFFAOYSA-N 0 3 324.468 3.303 20 30 DGEDHN CCCCCCCN1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001716835283 1203550358 /nfs/dbraw/zinc/55/03/58/1203550358.db2.gz USFWIPNMTIUEAC-INIZCTEOSA-N 0 3 324.494 3.011 20 30 DGEDHN CCCCCCCN1CC[C@](C)(NC(=O)C(=O)C(C)(C)C)C1 ZINC001716840018 1203551919 /nfs/dbraw/zinc/55/19/19/1203551919.db2.gz RCECEHHWXFEJNC-SFHVURJKSA-N 0 3 310.482 3.153 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001716847310 1203554731 /nfs/dbraw/zinc/55/47/31/1203554731.db2.gz IJNUXEHXCVBADY-VQIMIIECSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001716848474 1203555275 /nfs/dbraw/zinc/55/52/75/1203555275.db2.gz DRBQTOVCNAMXPG-DNVCBOLYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCc2cc(C)sc2C)C1 ZINC001716853637 1203556424 /nfs/dbraw/zinc/55/64/24/1203556424.db2.gz FSVIQHOYNFRXMD-GOSISDBHSA-N 0 3 320.502 3.454 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC=C)CCCCC1 ZINC001717038274 1203579842 /nfs/dbraw/zinc/57/98/42/1203579842.db2.gz LITYYQLCTNAAKE-QZTJIDSGSA-N 0 3 314.473 3.212 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001717042712 1203581410 /nfs/dbraw/zinc/58/14/10/1203581410.db2.gz DEIFIKPTLGLSOZ-HZSPNIEDSA-N 0 3 318.383 3.074 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](CCC)CC2CCCC2)CCC1 ZINC001717159295 1203593199 /nfs/dbraw/zinc/59/31/99/1203593199.db2.gz XKYLUZBCQYXGJL-KRWDZBQOSA-N 0 3 304.478 3.245 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001717201903 1203599509 /nfs/dbraw/zinc/59/95/09/1203599509.db2.gz KNCADTNHTHLLIC-AZUAARDMSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001717201904 1203599590 /nfs/dbraw/zinc/59/95/90/1203599590.db2.gz KNCADTNHTHLLIC-ICSRJNTNSA-N 0 3 324.468 3.340 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](CC)Cc1ccccc1 ZINC001717212917 1203603651 /nfs/dbraw/zinc/60/36/51/1203603651.db2.gz SBKZKQRWDXNSLF-LJQANCHMSA-N 0 3 314.473 3.059 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1coc2ccc(Cl)cc12 ZINC001717214832 1203604685 /nfs/dbraw/zinc/60/46/85/1203604685.db2.gz MPMASFYLSOBRFW-UHFFFAOYSA-N 0 3 318.804 3.113 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001717246932 1203609695 /nfs/dbraw/zinc/60/96/95/1203609695.db2.gz WEOGSSHCBHHZME-PKOBYXMFSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)CCCC)C2 ZINC001717245000 1203609775 /nfs/dbraw/zinc/60/97/75/1203609775.db2.gz LPUBGKJLGXIGBB-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCCC(C)C)CCO2 ZINC001717345304 1203622751 /nfs/dbraw/zinc/62/27/51/1203622751.db2.gz CDQYYRRNZOUFHV-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN CCC(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1Cl ZINC001717357305 1203624506 /nfs/dbraw/zinc/62/45/06/1203624506.db2.gz IHTVEPXTOUBILX-INIZCTEOSA-N 0 3 318.848 3.072 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C(C)=C1CCCC1 ZINC001717361767 1203625130 /nfs/dbraw/zinc/62/51/30/1203625130.db2.gz CFNAZEAHAOSQJS-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717400837 1203636514 /nfs/dbraw/zinc/63/65/14/1203636514.db2.gz KNGQZCOEFOUYGR-HUUCEWRRSA-N 0 3 318.848 3.141 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001717408001 1203638192 /nfs/dbraw/zinc/63/81/92/1203638192.db2.gz FCEBXVKBEYZDGU-IAGOWNOFSA-N 0 3 314.473 3.203 20 30 DGEDHN CCCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001717438532 1203644186 /nfs/dbraw/zinc/64/41/86/1203644186.db2.gz IDOGGWZCEAHPFJ-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)/C=C\c1ccco1 ZINC001717449170 1203646878 /nfs/dbraw/zinc/64/68/78/1203646878.db2.gz NIBQQZDKMHZSLR-FPLPWBNLSA-N 0 3 310.825 3.120 20 30 DGEDHN Cc1ccccc1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001717464866 1203651736 /nfs/dbraw/zinc/65/17/36/1203651736.db2.gz ICKYTTNLJSPFQY-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001717482049 1203658789 /nfs/dbraw/zinc/65/87/89/1203658789.db2.gz WFLYBNVSMZDPBH-GFCCVEGCSA-N 0 3 302.418 3.271 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001717485382 1203661161 /nfs/dbraw/zinc/66/11/61/1203661161.db2.gz LDEVIZUGNVKUEI-OAHLLOKOSA-N 0 3 313.445 3.461 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001717550911 1203680129 /nfs/dbraw/zinc/68/01/29/1203680129.db2.gz IWTVXUSQWYIFGP-AWEZNQCLSA-N 0 3 320.502 3.329 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717557932 1203681515 /nfs/dbraw/zinc/68/15/15/1203681515.db2.gz SDYFJKZILKLJNJ-CHWSQXEVSA-N 0 3 314.420 3.071 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CN(Cc3ccccc3C)C2)C1 ZINC001717556925 1203681545 /nfs/dbraw/zinc/68/15/45/1203681545.db2.gz OLQMIFHGJATHBN-INIZCTEOSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2oc(C(C)C)nc2C)C1 ZINC001717637554 1203692462 /nfs/dbraw/zinc/69/24/62/1203692462.db2.gz SINHRDWHPBOOIS-SHTZXODSSA-N 0 3 319.449 3.057 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001717834065 1203718690 /nfs/dbraw/zinc/71/86/90/1203718690.db2.gz ONEUAMHLHANZPM-RDJZCZTQSA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)/C(C)=C/C)cc1 ZINC001752983233 1203945520 /nfs/dbraw/zinc/94/55/20/1203945520.db2.gz ZJBFPZKWBMZIRB-YIXHJXPBSA-N 0 3 306.837 3.154 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCC1(C)CC1 ZINC001722905223 1203949249 /nfs/dbraw/zinc/94/92/49/1203949249.db2.gz AOVFLQVFDITJIM-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001723429838 1203970695 /nfs/dbraw/zinc/97/06/95/1203970695.db2.gz PYJAGUGTNJNZEI-DZGCQCFKSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001723437779 1203971843 /nfs/dbraw/zinc/97/18/43/1203971843.db2.gz HWMGQDOGEAILBH-HNNXBMFYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)CC(F)(F)F ZINC001723471023 1203975850 /nfs/dbraw/zinc/97/58/50/1203975850.db2.gz RQQZAWQDLVUBKK-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001723472292 1203976718 /nfs/dbraw/zinc/97/67/18/1203976718.db2.gz FRJWNXUSAACGSY-RDJZCZTQSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001723484973 1203977891 /nfs/dbraw/zinc/97/78/91/1203977891.db2.gz SBBPXMOHFRBTSX-TZMCWYRMSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1sccc1CC ZINC001723485230 1203978151 /nfs/dbraw/zinc/97/81/51/1203978151.db2.gz VXCGPSUJPBRKDB-ZFWWWQNUSA-N 0 3 306.475 3.469 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001723482642 1203978393 /nfs/dbraw/zinc/97/83/93/1203978393.db2.gz DMZWDNCFDDBHNX-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1cc(F)ccc1F ZINC001723483872 1203978422 /nfs/dbraw/zinc/97/84/22/1203978422.db2.gz KOFGGTDCQTUIQW-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(CC=C)CC=C)C1 ZINC001723605667 1203984799 /nfs/dbraw/zinc/98/47/99/1203984799.db2.gz AQSUXZNMUQZHPR-RBUKOAKNSA-N 0 3 314.473 3.091 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC ZINC001723631871 1203986224 /nfs/dbraw/zinc/98/62/24/1203986224.db2.gz DBBDMJMELPRSGC-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C2CC(C)C2)CC1 ZINC001723647454 1203987002 /nfs/dbraw/zinc/98/70/02/1203987002.db2.gz MXPAOLYBXOZORU-UHFFFAOYSA-N 0 3 324.896 3.488 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001723659902 1203988169 /nfs/dbraw/zinc/98/81/69/1203988169.db2.gz KVNBGYRRQHWJOQ-KDURUIRLSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCC3CCCCC3)C2)C1 ZINC001723727077 1203990298 /nfs/dbraw/zinc/99/02/98/1203990298.db2.gz NWQZVKUVWRIOJK-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001723720800 1203990356 /nfs/dbraw/zinc/99/03/56/1203990356.db2.gz FDPPAPZXSWXLDM-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001723720801 1203990639 /nfs/dbraw/zinc/99/06/39/1203990639.db2.gz FDPPAPZXSWXLDM-QFBILLFUSA-N 0 3 304.478 3.006 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H]1CN[C@@H](C)c1ccccc1F ZINC001723898102 1203998006 /nfs/dbraw/zinc/99/80/06/1203998006.db2.gz CMMJXHYMDBWETJ-HOTGVXAUSA-N 0 3 316.420 3.127 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)CC)C1CCN(CC=C(C)C)CC1 ZINC001724043614 1204002272 /nfs/dbraw/zinc/00/22/72/1204002272.db2.gz JCKJWTLEFIIAOF-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C1(C)CC1)c1ccc2ccccc2c1 ZINC001724072792 1204003245 /nfs/dbraw/zinc/00/32/45/1204003245.db2.gz VMBOYCDURDPBLY-GOSISDBHSA-N 0 3 306.409 3.020 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001724114645 1204005786 /nfs/dbraw/zinc/00/57/86/1204005786.db2.gz JJEKPSQZJNWOLV-OAGGEKHMSA-N 0 3 310.457 3.402 20 30 DGEDHN CC[C@@H](F)CN1CC[C@]2(C1)CCCCN(C(=O)C#CC(C)C)C2 ZINC001724126316 1204006383 /nfs/dbraw/zinc/00/63/83/1204006383.db2.gz QVXBDXXCSQAKQN-MJGOQNOKSA-N 0 3 322.468 3.099 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001724126268 1204006478 /nfs/dbraw/zinc/00/64/78/1204006478.db2.gz QNJULQKZSADKRQ-RLGIIYIFSA-N 0 3 322.880 3.247 20 30 DGEDHN CCCc1ccc(CN2CC[C@@](C)(NC(=O)C#CC3CC3)C2)cc1 ZINC001724155885 1204009903 /nfs/dbraw/zinc/00/99/03/1204009903.db2.gz YACOIDRKWFDKMK-OAQYLSRUSA-N 0 3 324.468 3.133 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)CC2CCCCCC2)C1 ZINC001724173489 1204010971 /nfs/dbraw/zinc/01/09/71/1204010971.db2.gz CHBLSLGAPYZABH-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)CC2CCCCCC2)C1 ZINC001724173488 1204011386 /nfs/dbraw/zinc/01/13/86/1204011386.db2.gz CHBLSLGAPYZABH-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001724189874 1204013680 /nfs/dbraw/zinc/01/36/80/1204013680.db2.gz LHCHOOPRYJAZTR-LPHOPBHVSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001724302833 1204019053 /nfs/dbraw/zinc/01/90/53/1204019053.db2.gz OVROLYRAZONHCE-MRXNPFEDSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(C)ccc2C)C1 ZINC001724342285 1204023898 /nfs/dbraw/zinc/02/38/98/1204023898.db2.gz GURQYCRPWZVRGI-HXUWFJFHSA-N 0 3 312.457 3.159 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccccc2Cl)C1 ZINC001724344332 1204024158 /nfs/dbraw/zinc/02/41/58/1204024158.db2.gz ZRCFRDCSEKMJQT-GOSISDBHSA-N 0 3 318.848 3.195 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccccc1)c1ccccc1CC ZINC001724512385 1204026853 /nfs/dbraw/zinc/02/68/53/1204026853.db2.gz SKBQWEZGWCASMM-HXUWFJFHSA-N 0 3 322.452 3.425 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](CCC)C(C)C)[C@@H]2C1 ZINC001724659825 1204037232 /nfs/dbraw/zinc/03/72/32/1204037232.db2.gz UPZPUBZWLJPLCZ-OKZBNKHCSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001724727759 1204040199 /nfs/dbraw/zinc/04/01/99/1204040199.db2.gz PTJWRYJLXBMBQP-GFCCVEGCSA-N 0 3 320.811 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC001724730770 1204040671 /nfs/dbraw/zinc/04/06/71/1204040671.db2.gz ZPLYJVWLCFUDLO-MRXNPFEDSA-N 0 3 320.864 3.498 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001724735710 1204041066 /nfs/dbraw/zinc/04/10/66/1204041066.db2.gz ZVNBKNAGSYLHDO-CYBMUJFWSA-N 0 3 310.869 3.003 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC001724740522 1204041688 /nfs/dbraw/zinc/04/16/88/1204041688.db2.gz IOSIJWPFCPVEBR-CQSZACIVSA-N 0 3 310.372 3.040 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 ZINC001724740786 1204041931 /nfs/dbraw/zinc/04/19/31/1204041931.db2.gz KIJTXFCUAPIGLL-SJORKVTESA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2CC(F)(F)C2)cc1 ZINC001724739655 1204041950 /nfs/dbraw/zinc/04/19/50/1204041950.db2.gz ABNCWQUXESNCSL-CYBMUJFWSA-N 0 3 320.383 3.022 20 30 DGEDHN CCC(=O)NCc1ccc([C@@H](C)NCC#Cc2ccccc2)cc1 ZINC001724743329 1204042484 /nfs/dbraw/zinc/04/24/84/1204042484.db2.gz VIDGASHNZWILSZ-QGZVFWFLSA-N 0 3 320.436 3.415 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001724748097 1204043237 /nfs/dbraw/zinc/04/32/37/1204043237.db2.gz WZCPTIBHFNZJCP-WKILWMFISA-N 0 3 316.445 3.237 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@](C)(CC)CCC)C2 ZINC001724898024 1204064491 /nfs/dbraw/zinc/06/44/91/1204064491.db2.gz LEKROZLPHKIDRX-RTBURBONSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C1 ZINC001724942070 1204068064 /nfs/dbraw/zinc/06/80/64/1204068064.db2.gz WFGFBPWSZPLOTL-NEPJUHHUSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCCC(=O)N1CCC(C)(NCc2nc(C)sc2C)CC1 ZINC001724953414 1204069994 /nfs/dbraw/zinc/06/99/94/1204069994.db2.gz OUDFQXIRTUBTBK-UHFFFAOYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1nc(C)c(C)s1 ZINC001725006446 1204078326 /nfs/dbraw/zinc/07/83/26/1204078326.db2.gz GSSXYXWHSPZSBR-YVEFUNNKSA-N 0 3 323.506 3.347 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001725086558 1204092047 /nfs/dbraw/zinc/09/20/47/1204092047.db2.gz ZYGGGOWQUJOAMT-IRXDYDNUSA-N 0 3 300.446 3.101 20 30 DGEDHN CC(C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1)=C1CCC1 ZINC001725094772 1204093387 /nfs/dbraw/zinc/09/33/87/1204093387.db2.gz QHAKHYFAYHFZBD-IAGOWNOFSA-N 0 3 310.441 3.021 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NCc2scnc2C)CC1 ZINC001725105412 1204095426 /nfs/dbraw/zinc/09/54/26/1204095426.db2.gz FVQAIQFEZHZGNN-OLZOCXBDSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ncccc2C)CCC1 ZINC001725106574 1204095925 /nfs/dbraw/zinc/09/59/25/1204095925.db2.gz JIBXNAXQPOYMNO-CVEARBPZSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1sccc1C ZINC001725136111 1204101143 /nfs/dbraw/zinc/10/11/43/1204101143.db2.gz BWLQCDBCUUKPBL-UHFFFAOYSA-N 0 3 314.882 3.497 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001725154319 1204105127 /nfs/dbraw/zinc/10/51/27/1204105127.db2.gz HQPBHZZOYZLIPP-DYVFJYSZSA-N 0 3 304.409 3.216 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H](C)N(C)CC=C(C)C)c1ccccc1 ZINC001725197871 1204118276 /nfs/dbraw/zinc/11/82/76/1204118276.db2.gz WNCIILMGTIYHDS-FUHWJXTLSA-N 0 3 300.446 3.359 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCCc1cccs1 ZINC001725237426 1204124401 /nfs/dbraw/zinc/12/44/01/1204124401.db2.gz BUQZQCCGFZXYQI-INIZCTEOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCCC#CC)C[C@@H]2C1 ZINC001725331886 1204137525 /nfs/dbraw/zinc/13/75/25/1204137525.db2.gz AZRYLZWLOWMRFS-BBWFWOEESA-N 0 3 322.880 3.149 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](CCC)CC(C)C)C[C@]2(C)C1 ZINC001725347092 1204139667 /nfs/dbraw/zinc/13/96/67/1204139667.db2.gz LNDMMSJAWKMLJS-YSIASYRMSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNCc1oc(C)nc1C ZINC001725396924 1204145579 /nfs/dbraw/zinc/14/55/79/1204145579.db2.gz GZFRGTWMPMDLTR-ZDUSSCGKSA-N 0 3 321.465 3.268 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)CC1CC(C)(C)C1 ZINC001725402806 1204145935 /nfs/dbraw/zinc/14/59/35/1204145935.db2.gz UKCVYMGRZCWNKM-ZDUSSCGKSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1sc(Cl)nc1C)C(C)C ZINC001725727381 1204202533 /nfs/dbraw/zinc/20/25/33/1204202533.db2.gz FRDNJQGHFCWPOX-UHFFFAOYSA-N 0 3 315.870 3.073 20 30 DGEDHN C[C@H](CN(C)C(=O)CCCC1CC1)NCC#Cc1ccccc1 ZINC001725504478 1204161028 /nfs/dbraw/zinc/16/10/28/1204161028.db2.gz LOAQBJCIGBTBMX-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001725507208 1204161318 /nfs/dbraw/zinc/16/13/18/1204161318.db2.gz WYPUSWPLMHPNHC-GFCCVEGCSA-N 0 3 309.479 3.053 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001725569770 1204169043 /nfs/dbraw/zinc/16/90/43/1204169043.db2.gz VTXUQFZUTDVPTC-NWDGAFQWSA-N 0 3 305.249 3.241 20 30 DGEDHN CCCCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001725576172 1204170259 /nfs/dbraw/zinc/17/02/59/1204170259.db2.gz SACVDZHSTKNQRK-ZIAGYGMSSA-N 0 3 319.474 3.279 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)/C=C/C(C)(C)C ZINC001725585709 1204172393 /nfs/dbraw/zinc/17/23/93/1204172393.db2.gz OTRSSANCJQVVPI-NYQNCTAXSA-N 0 3 324.468 3.219 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001725595496 1204175250 /nfs/dbraw/zinc/17/52/50/1204175250.db2.gz PFKGSVVQGDAFFD-DOTOQJQBSA-N 0 3 318.486 3.411 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)C3CCCCC3)CCC[C@H]12 ZINC001725611805 1204179305 /nfs/dbraw/zinc/17/93/05/1204179305.db2.gz PSSATRWTGGKQKA-IMFGXOCKSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)[C@@H]1C ZINC001725644568 1204189673 /nfs/dbraw/zinc/18/96/73/1204189673.db2.gz YEIZACIVVSWXFM-FUHWJXTLSA-N 0 3 300.446 3.164 20 30 DGEDHN CC(C)=CC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001725738099 1204207826 /nfs/dbraw/zinc/20/78/26/1204207826.db2.gz SWIQBLQUSPKIIR-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(C)C=C)CC[C@H]1C(F)(F)F ZINC001725779772 1204220140 /nfs/dbraw/zinc/22/01/40/1204220140.db2.gz FUTNXYJOBLNHJW-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)Cc2ccc(C)cc2)CCC1 ZINC001753063237 1204305568 /nfs/dbraw/zinc/30/55/68/1204305568.db2.gz MIDZZKQMSIUESK-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCN(C)Cc1sc(C)nc1C ZINC001731264624 1204356109 /nfs/dbraw/zinc/35/61/09/1204356109.db2.gz SAXCESABSCHPMQ-QGZVFWFLSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CSCCC ZINC001731288846 1204363269 /nfs/dbraw/zinc/36/32/69/1204363269.db2.gz SAUYGNSXCZXJPH-UONOGXRCSA-N 0 3 318.914 3.241 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC001731341318 1204378318 /nfs/dbraw/zinc/37/83/18/1204378318.db2.gz SOSKJGDWZNVJNI-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCCC(=O)N(C)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001731349131 1204381270 /nfs/dbraw/zinc/38/12/70/1204381270.db2.gz UIGRZNLPUVOBTE-XFXZXTDPSA-N 0 3 324.468 3.426 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001731389753 1204394431 /nfs/dbraw/zinc/39/44/31/1204394431.db2.gz BHHWKXAWYSLQHV-MLGOLLRUSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cc[nH]c2c1 ZINC001731424241 1204409033 /nfs/dbraw/zinc/40/90/33/1204409033.db2.gz BJZVWTOJLDYUMX-HDICACEKSA-N 0 3 323.440 3.423 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001731538464 1204449498 /nfs/dbraw/zinc/44/94/98/1204449498.db2.gz OAOHQNKXDNEGQC-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001731714123 1204517613 /nfs/dbraw/zinc/51/76/13/1204517613.db2.gz YJCLTQLNWBXDGU-ZWKOTPCHSA-N 0 3 304.478 3.315 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](C)NCc1cccc(F)c1Cl ZINC001731726102 1204524702 /nfs/dbraw/zinc/52/47/02/1204524702.db2.gz SWCNTISEVOKZQV-CYBMUJFWSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(Cl)cc1 ZINC001731739066 1204530456 /nfs/dbraw/zinc/53/04/56/1204530456.db2.gz DIHXIVDGEQUKMZ-LLVKDONJSA-N 0 3 301.217 3.191 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)Cc1c(C)cccc1C ZINC001731770919 1204546541 /nfs/dbraw/zinc/54/65/41/1204546541.db2.gz VUIPMXDGDWUEBJ-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001731794425 1204563370 /nfs/dbraw/zinc/56/33/70/1204563370.db2.gz KNXYTRQBLKWFRO-ZDUSSCGKSA-N 0 3 306.475 3.111 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)Cc1ccccc1C1CC1 ZINC001731802227 1204569957 /nfs/dbraw/zinc/56/99/57/1204569957.db2.gz XNBOGDABLALGHZ-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001731829428 1204589273 /nfs/dbraw/zinc/58/92/73/1204589273.db2.gz XHNOVCGLYPTWHC-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001731837922 1204595575 /nfs/dbraw/zinc/59/55/75/1204595575.db2.gz VQTDEYXVFPQCDH-AZRLCKCBSA-N 0 3 316.489 3.360 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1CCC ZINC001731867721 1204611469 /nfs/dbraw/zinc/61/14/69/1204611469.db2.gz VVKFTDJIXIZWQI-UHFFFAOYSA-N 0 3 300.446 3.104 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C1CC1 ZINC001731878692 1204619791 /nfs/dbraw/zinc/61/97/91/1204619791.db2.gz UYNLGZSYULXJPN-SJORKVTESA-N 0 3 304.478 3.382 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC(C)C ZINC001732026909 1204654242 /nfs/dbraw/zinc/65/42/42/1204654242.db2.gz KPJFYBNIQBRTJV-OKZBNKHCSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2ccoc2)C1 ZINC001732035902 1204658932 /nfs/dbraw/zinc/65/89/32/1204658932.db2.gz NMFDDMGKSQFXGB-KRWDZBQOSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001732073314 1204680025 /nfs/dbraw/zinc/68/00/25/1204680025.db2.gz PLVYSLIVPJDWJM-IZIDJEDMSA-N 0 3 310.869 3.288 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)(F)F ZINC001732150412 1204715041 /nfs/dbraw/zinc/71/50/41/1204715041.db2.gz XBNDMHCVUMXZOB-AGIUHOORSA-N 0 3 318.383 3.215 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001732154711 1204717290 /nfs/dbraw/zinc/71/72/90/1204717290.db2.gz SBMCPEGYAGAQQD-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001732173485 1204728923 /nfs/dbraw/zinc/72/89/23/1204728923.db2.gz PABQYHITRWQVSH-RBUKOAKNSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1c(C)nsc1C ZINC001732200629 1204746242 /nfs/dbraw/zinc/74/62/42/1204746242.db2.gz QRKMDYBMTVIBEM-CQSZACIVSA-N 0 3 309.479 3.101 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1cccc(Cl)n1 ZINC001732206388 1204748980 /nfs/dbraw/zinc/74/89/80/1204748980.db2.gz TWKFRODPVWZPOH-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001732353279 1204801786 /nfs/dbraw/zinc/80/17/86/1204801786.db2.gz FRSSXTDGBAHMTO-MDUDVEDUSA-N 0 3 307.265 3.250 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001732353658 1204802430 /nfs/dbraw/zinc/80/24/30/1204802430.db2.gz HOGZLJGRXITZDT-HNNXBMFYSA-N 0 3 313.445 3.147 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cccc(OC)c2)CCCC1 ZINC001732399032 1204820564 /nfs/dbraw/zinc/82/05/64/1204820564.db2.gz RDDUPRRYDNANQZ-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCc2ccccc2)CCCC1 ZINC001732399269 1204821372 /nfs/dbraw/zinc/82/13/72/1204821372.db2.gz AMKWUJOGQPAOLT-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN CCC(CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001732412382 1204828443 /nfs/dbraw/zinc/82/84/43/1204828443.db2.gz VNAWFGZXSAKXRB-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2ccc(F)c(F)c2)C1 ZINC001732438575 1204841494 /nfs/dbraw/zinc/84/14/94/1204841494.db2.gz PVUBOAGDULTKON-ZDUSSCGKSA-N 0 3 322.399 3.258 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H]1CC12CCCC2 ZINC001732448345 1204845664 /nfs/dbraw/zinc/84/56/64/1204845664.db2.gz HJFVENBIWUZOEC-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nc(C)cs2)[C@@H](C)C1 ZINC001732487620 1204868063 /nfs/dbraw/zinc/86/80/63/1204868063.db2.gz MNERFQFPAWKHGQ-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2cscn2)C1 ZINC001732526971 1204882429 /nfs/dbraw/zinc/88/24/29/1204882429.db2.gz VRONMCCDPJYJIV-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)c1ccccc1)C(C)C ZINC001732571664 1204901473 /nfs/dbraw/zinc/90/14/73/1204901473.db2.gz JPJTWQYYCBCITA-ZBFHGGJFSA-N 0 3 308.853 3.273 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001732591296 1204913590 /nfs/dbraw/zinc/91/35/90/1204913590.db2.gz JZGKLCACWXCIPY-IBGZPJMESA-N 0 3 320.452 3.361 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc2ccccc2c1 ZINC001732598547 1204917772 /nfs/dbraw/zinc/91/77/72/1204917772.db2.gz QBDXEPRASKZPBV-UHFFFAOYSA-N 0 3 310.441 3.349 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(c2ccccc2)CCC1 ZINC001732712344 1204932260 /nfs/dbraw/zinc/93/22/60/1204932260.db2.gz LPWJFIHDDOYSFJ-HNNXBMFYSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C)nc1C(C)C ZINC001732716036 1204932812 /nfs/dbraw/zinc/93/28/12/1204932812.db2.gz QLAHMZSRXBFSGG-AWEZNQCLSA-N 0 3 323.868 3.364 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cccc(Cl)c1 ZINC001732725860 1204934373 /nfs/dbraw/zinc/93/43/73/1204934373.db2.gz QTCJDCYOXFVHPS-GFCCVEGCSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@]1(C)CCc2ccccc21 ZINC001732759614 1204939343 /nfs/dbraw/zinc/93/93/43/1204939343.db2.gz MMFMQVKSOOQEMI-RDTXWAMCSA-N 0 3 320.864 3.127 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2ccc(C)c(F)c2)C1 ZINC001732897715 1204956619 /nfs/dbraw/zinc/95/66/19/1204956619.db2.gz OXPRLTSLYPDNBX-PLNGDYQASA-N 0 3 316.420 3.252 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001732900215 1204956766 /nfs/dbraw/zinc/95/67/66/1204956766.db2.gz MDEVVYDFEQTHLM-CSHXORCISA-N 0 3 315.461 3.063 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001732966373 1204967151 /nfs/dbraw/zinc/96/71/51/1204967151.db2.gz DPCUDECNINLVTM-CQSZACIVSA-N 0 3 306.425 3.331 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CNC1c2ccccc2-c2ccccc21 ZINC001732992140 1204976164 /nfs/dbraw/zinc/97/61/64/1204976164.db2.gz PZBOVNMJQSJCNI-KBPBESRZSA-N 0 3 319.408 3.010 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001733048396 1205000583 /nfs/dbraw/zinc/00/05/83/1205000583.db2.gz HWNLNDBVNFVBDF-HUUCEWRRSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2ccc(CF)cc2)C1 ZINC001733051523 1205002833 /nfs/dbraw/zinc/00/28/33/1205002833.db2.gz DDTCTRPZSYNRJA-OAHLLOKOSA-N 0 3 318.436 3.449 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)CCc1scnc1C ZINC001733056747 1205008624 /nfs/dbraw/zinc/00/86/24/1205008624.db2.gz VJWJNABJBPWASF-CXAGYDPISA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(Cl)c2occc21 ZINC001733060280 1205011102 /nfs/dbraw/zinc/01/11/02/1205011102.db2.gz AVTGNNOOSVXXJF-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001733117243 1205025591 /nfs/dbraw/zinc/02/55/91/1205025591.db2.gz PPSCXEYFLGOVLG-JKSUJKDBSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCC(=O)N[C@H](CN[C@@H](C)c1ccccc1F)C1CC1 ZINC001733166373 1205032045 /nfs/dbraw/zinc/03/20/45/1205032045.db2.gz ORTFKYASHACKPF-SUMWQHHRSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001733170249 1205032989 /nfs/dbraw/zinc/03/29/89/1205032989.db2.gz FGJLJCPVWOZOKS-IBGZPJMESA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001733213612 1205046351 /nfs/dbraw/zinc/04/63/51/1205046351.db2.gz FXGAERKZUXQTMN-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1cc(Cl)cs1 ZINC001733225765 1205055977 /nfs/dbraw/zinc/05/59/77/1205055977.db2.gz BBXRKVPBZOSNAN-ZDUSSCGKSA-N 0 3 312.866 3.101 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C(C)(C)CC)cc2)CC1 ZINC001733246225 1205067685 /nfs/dbraw/zinc/06/76/85/1205067685.db2.gz AAGZHVOTDQFSAX-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(N[C@H](C)c3cccc(F)c3)CC2)C1 ZINC001733255755 1205070681 /nfs/dbraw/zinc/07/06/81/1205070681.db2.gz SVGPZPFRGCNTBU-CQSZACIVSA-N 0 3 316.420 3.481 20 30 DGEDHN C#CCCCCC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001733286995 1205083011 /nfs/dbraw/zinc/08/30/11/1205083011.db2.gz WLVLOWGLQJVDOS-IZZDOVSWSA-N 0 3 322.880 3.247 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)CC1 ZINC001733294244 1205085350 /nfs/dbraw/zinc/08/53/50/1205085350.db2.gz YOYXAVOZDFHSJJ-QGZVFWFLSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001733362336 1205106270 /nfs/dbraw/zinc/10/62/70/1205106270.db2.gz SAOSDWLMDDTUKZ-VOTSOKGWSA-N 0 3 324.468 3.392 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001733362239 1205106622 /nfs/dbraw/zinc/10/66/22/1205106622.db2.gz SAOSDWLMDDTUKZ-SREVYHEPSA-N 0 3 324.468 3.392 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@@H]1C[C@H]1CC)c1ccc2ccccc2c1 ZINC001733374673 1205108900 /nfs/dbraw/zinc/10/89/00/1205108900.db2.gz KCHJYVLRSMZYSJ-YSGRDPCXSA-N 0 3 320.436 3.266 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001733452553 1205137909 /nfs/dbraw/zinc/13/79/09/1205137909.db2.gz IVLWGVADDIFUAA-KRWDZBQOSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc3c(s2)CCC3)C1 ZINC001733460293 1205142052 /nfs/dbraw/zinc/14/20/52/1205142052.db2.gz CYLFCJFCXCIFFK-SFHVURJKSA-N 0 3 318.486 3.255 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](F)c2ccccc2)C1 ZINC001733465539 1205146518 /nfs/dbraw/zinc/14/65/18/1205146518.db2.gz MRODBSAASKJNHR-WMZOPIPTSA-N 0 3 304.409 3.102 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001733468100 1205147174 /nfs/dbraw/zinc/14/71/74/1205147174.db2.gz MFZZVKOPIQMWKY-HXUWFJFHSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1occc1C)c1ccccc1CC ZINC001733512772 1205150114 /nfs/dbraw/zinc/15/01/14/1205150114.db2.gz HTOZHVHIJCUQHJ-KRWDZBQOSA-N 0 3 312.413 3.397 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1CC ZINC001733517581 1205151796 /nfs/dbraw/zinc/15/17/96/1205151796.db2.gz HRRGSAKACWNZBF-XUVXKRRUSA-N 0 3 324.468 3.065 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001733647663 1205176798 /nfs/dbraw/zinc/17/67/98/1205176798.db2.gz QYBGEPFTMCLUEJ-CQSZACIVSA-N 0 3 310.825 3.091 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CC(C)(F)F)cccc2C1 ZINC001733708373 1205188949 /nfs/dbraw/zinc/18/89/49/1205188949.db2.gz BWEBDGMIEWBMGI-UHFFFAOYSA-N 0 3 322.399 3.282 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2(CC)CCCCC2)CC1 ZINC001733766237 1205203721 /nfs/dbraw/zinc/20/37/21/1205203721.db2.gz DICDOYAWVLTUMU-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCN(C)CCC(F)(F)F)CCC1 ZINC001733776673 1205212452 /nfs/dbraw/zinc/21/24/52/1205212452.db2.gz RRIWENUBUKNBCM-UHFFFAOYSA-N 0 3 320.399 3.466 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C1CCC(CCCC)CC1 ZINC001733780826 1205215948 /nfs/dbraw/zinc/21/59/48/1205215948.db2.gz RTNWGWNCNGFPOP-UHFFFAOYSA-N 0 3 306.494 3.397 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001733783149 1205218538 /nfs/dbraw/zinc/21/85/38/1205218538.db2.gz WORRNOARDPLCGP-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(C/C=C/c2ccccc2)[C@H](C)C1 ZINC001733892287 1205242667 /nfs/dbraw/zinc/24/26/67/1205242667.db2.gz CTPCYYTZOVNAPG-MRRRUUNJSA-N 0 3 324.468 3.328 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(Cl)c1F ZINC001733906238 1205250196 /nfs/dbraw/zinc/25/01/96/1205250196.db2.gz SEYYJVBEHCZDNZ-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN CCCCCCCN1CCOC2(CCN(C(=O)CC)CC2)C1 ZINC001733909886 1205251482 /nfs/dbraw/zinc/25/14/82/1205251482.db2.gz XSJPVULYFFVZRI-UHFFFAOYSA-N 0 3 310.482 3.060 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001733908333 1205251557 /nfs/dbraw/zinc/25/15/57/1205251557.db2.gz UOEFWVCHZBYILN-DNVCBOLYSA-N 0 3 312.457 3.324 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001733922476 1205255653 /nfs/dbraw/zinc/25/56/53/1205255653.db2.gz VZXQHGRZHHNONT-BHIYHBOVSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(Cl)ccc1OC ZINC001733962007 1205272133 /nfs/dbraw/zinc/27/21/33/1205272133.db2.gz CPSPKMWRYQNBHX-CHWSQXEVSA-N 0 3 324.852 3.298 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001733975199 1205276687 /nfs/dbraw/zinc/27/66/87/1205276687.db2.gz MDTFVBNBAJLHJW-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(Cl)nc2)C1 ZINC001733988119 1205280020 /nfs/dbraw/zinc/28/00/20/1205280020.db2.gz MORVBMQBXAHGMY-OLZOCXBDSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)CC1 ZINC001733993256 1205281655 /nfs/dbraw/zinc/28/16/55/1205281655.db2.gz YRHGWMFWBTXILU-QZTJIDSGSA-N 0 3 324.468 3.267 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1conc1C ZINC001734023427 1205291294 /nfs/dbraw/zinc/29/12/94/1205291294.db2.gz YCCTZLICDNOSAO-SFHVURJKSA-N 0 3 321.465 3.160 20 30 DGEDHN Cc1ccc(CN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)cc1F ZINC001734032810 1205296337 /nfs/dbraw/zinc/29/63/37/1205296337.db2.gz AYWXZMUXXLXOSZ-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCC1CCCCC1 ZINC001734105763 1205326146 /nfs/dbraw/zinc/32/61/46/1205326146.db2.gz HKYFALMBCZXQGD-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cccs2)C(C)(C)C1 ZINC001734152754 1205336953 /nfs/dbraw/zinc/33/69/53/1205336953.db2.gz DEIQLQXNHHXPOK-HNNXBMFYSA-N 0 3 306.475 3.083 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](CCC)CC(C)C)C(C)(C)C1 ZINC001734152884 1205337069 /nfs/dbraw/zinc/33/70/69/1205337069.db2.gz GRBXURHCXKSTLL-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@]2(C)CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001734198377 1205342075 /nfs/dbraw/zinc/34/20/75/1205342075.db2.gz HXTJXBPEXOIIOA-RYQLBKOJSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@]2(C)CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001734198991 1205342677 /nfs/dbraw/zinc/34/26/77/1205342677.db2.gz PUPVQIFACILXOI-YTQUADARSA-N 0 3 322.468 3.099 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001734222983 1205346653 /nfs/dbraw/zinc/34/66/53/1205346653.db2.gz YTLKRVKSPDLXAF-CTYIDZIISA-N 0 3 324.827 3.293 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001734316656 1205363465 /nfs/dbraw/zinc/36/34/65/1205363465.db2.gz JGIMZXKUUPQFFC-SJCJKPOMSA-N 0 3 322.399 3.355 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccccc1CC(C)(C)C ZINC001734329046 1205365631 /nfs/dbraw/zinc/36/56/31/1205365631.db2.gz BXQWYHZSCGGSNO-MRXNPFEDSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ncccc2C)[C@H]1C ZINC001734396094 1205372063 /nfs/dbraw/zinc/37/20/63/1205372063.db2.gz PZVPMMSCOGDVAK-CVEARBPZSA-N 0 3 315.461 3.071 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3ccsc32)C1 ZINC001734425542 1205375547 /nfs/dbraw/zinc/37/55/47/1205375547.db2.gz JDYGJOUKAFUOGP-DZGCQCFKSA-N 0 3 312.438 3.117 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCOC)[C@H]2C)CCCCC1 ZINC001734464231 1205382768 /nfs/dbraw/zinc/38/27/68/1205382768.db2.gz ZDNPKUGYOAUELC-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cccc(C)c2)[C@@H]1C ZINC001734464507 1205382820 /nfs/dbraw/zinc/38/28/20/1205382820.db2.gz YDNTVYTWMQZYLA-PKOBYXMFSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C[C@@H]1CCCCO1)C(C)C ZINC001734551915 1205391542 /nfs/dbraw/zinc/39/15/42/1205391542.db2.gz SWWALJJDJJVWRT-KRWDZBQOSA-N 0 3 324.509 3.327 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001734552486 1205391809 /nfs/dbraw/zinc/39/18/09/1205391809.db2.gz BVJDWKSLHHDAER-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C(C)=C2CCCC2)CC1 ZINC001734584530 1205401120 /nfs/dbraw/zinc/40/11/20/1205401120.db2.gz LPDQTQCJEVRUMZ-INIZCTEOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2ccncc2Cl)C1 ZINC001734594126 1205402798 /nfs/dbraw/zinc/40/27/98/1205402798.db2.gz LMBCTXUPHQDABG-UHFFFAOYSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](CC)Cc2ccccc2)CC1 ZINC001734634080 1205407768 /nfs/dbraw/zinc/40/77/68/1205407768.db2.gz NMGXAJIVQIVCKI-LJQANCHMSA-N 0 3 312.457 3.190 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC001734630987 1205407777 /nfs/dbraw/zinc/40/77/77/1205407777.db2.gz CWDKAKVANRRPKK-CQSZACIVSA-N 0 3 318.848 3.378 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccoc2CC)c(F)c1 ZINC001734640003 1205408656 /nfs/dbraw/zinc/40/86/56/1205408656.db2.gz DYOVEWOOCITLHV-UHFFFAOYSA-N 0 3 316.376 3.187 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC001669782831 1197481005 /nfs/dbraw/zinc/48/10/05/1197481005.db2.gz KTOIFHGYDSSSGU-ZDUSSCGKSA-N 0 3 324.852 3.251 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2ccc(F)cc2s1 ZINC001669838308 1197489800 /nfs/dbraw/zinc/48/98/00/1197489800.db2.gz KVOHBDPJLFDOLR-NSHDSACASA-N 0 3 306.406 3.277 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001573329696 947424961 /nfs/dbraw/zinc/42/49/61/947424961.db2.gz NMGKUMKRKDRVNJ-UHFFFAOYSA-N 0 3 315.396 3.374 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001573329696 947424968 /nfs/dbraw/zinc/42/49/68/947424968.db2.gz NMGKUMKRKDRVNJ-UHFFFAOYSA-N 0 3 315.396 3.374 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(Br)cc3)CCC2S1 ZINC001203909971 1090836227 /nfs/dbraw/zinc/83/62/27/1090836227.db2.gz SVAFQGRFJHYABM-CYBMUJFWSA-N 0 3 324.243 3.223 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001480857487 1081577533 /nfs/dbraw/zinc/57/75/33/1081577533.db2.gz TWLYIVHDQOCDTC-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccc2ccccc2c1 ZINC001480861986 1081590329 /nfs/dbraw/zinc/59/03/29/1081590329.db2.gz HAHYGSSXLUKYEO-UHFFFAOYSA-N 0 3 308.425 3.047 20 30 DGEDHN C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C#CC(C)(C)C ZINC001480862533 1081592052 /nfs/dbraw/zinc/59/20/52/1081592052.db2.gz USCKMRTXBLQJES-AWEZNQCLSA-N 0 3 320.864 3.499 20 30 DGEDHN N#CCc1c[nH]c2cccc(N3CCCc4ccc(CN)nc43)c12 ZINC001169590262 1081599087 /nfs/dbraw/zinc/59/90/87/1081599087.db2.gz CTUXLQPUKVTJTK-UHFFFAOYSA-N 0 3 317.396 3.172 20 30 DGEDHN N#Cc1cnc(N2CCCc3ccc(CN)nc32)c2ccccc12 ZINC001169582991 1081607060 /nfs/dbraw/zinc/60/70/60/1081607060.db2.gz AQQVSJXILQPNAE-UHFFFAOYSA-N 0 3 315.380 3.044 20 30 DGEDHN CCCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001266302490 1081648856 /nfs/dbraw/zinc/64/88/56/1081648856.db2.gz QMXCSZCMAYHUKQ-HNNXBMFYSA-N 0 3 304.434 3.167 20 30 DGEDHN CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001266302490 1081648858 /nfs/dbraw/zinc/64/88/58/1081648858.db2.gz QMXCSZCMAYHUKQ-HNNXBMFYSA-N 0 3 304.434 3.167 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001266311671 1081656184 /nfs/dbraw/zinc/65/61/84/1081656184.db2.gz FNIDBBKSNBCOGV-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001266315546 1081658984 /nfs/dbraw/zinc/65/89/84/1081658984.db2.gz XVLBWVZSJQWXIA-KRWDZBQOSA-N 0 3 318.486 3.249 20 30 DGEDHN C=CC[C@H](Nc1cccc(CN(CC)CC)c1F)C(=O)OC ZINC001169845497 1081662711 /nfs/dbraw/zinc/66/27/11/1081662711.db2.gz VCYQVTKYNXGLGP-HNNXBMFYSA-N 0 3 308.397 3.197 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(C(C)C)CC2)C12CCC2 ZINC001203386889 1081709820 /nfs/dbraw/zinc/70/98/20/1081709820.db2.gz RHLCXIDPAIQXJD-ZIAGYGMSSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cccc2c1CCCCC2 ZINC001266396165 1081741610 /nfs/dbraw/zinc/74/16/10/1081741610.db2.gz BUJGMVNIJXRJCX-UHFFFAOYSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCCC)C2 ZINC001108970319 1081744926 /nfs/dbraw/zinc/74/49/26/1081744926.db2.gz UFPZQGVFYIPDRE-MHORFTMASA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCCCCCN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001209430742 1081746965 /nfs/dbraw/zinc/74/69/65/1081746965.db2.gz BOMZECGWIPOFKJ-FQEVSTJZSA-N 0 3 316.489 3.302 20 30 DGEDHN CCC(CC)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001266398232 1081748944 /nfs/dbraw/zinc/74/89/44/1081748944.db2.gz OSKRBLVHGCNBLM-INIZCTEOSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1ccc(Cl)cc1 ZINC001266411573 1081768003 /nfs/dbraw/zinc/76/80/03/1081768003.db2.gz ZFZWMCDGMXJEOW-UHFFFAOYSA-N 0 3 320.864 3.472 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001109170896 1081775566 /nfs/dbraw/zinc/77/55/66/1081775566.db2.gz XWUINBMHRBAFBR-AABGKKOBSA-N 0 3 324.468 3.410 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001266423959 1081783080 /nfs/dbraw/zinc/78/30/80/1081783080.db2.gz LBAGDHMYFIBPGL-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)c(C)c1 ZINC001109209669 1081784749 /nfs/dbraw/zinc/78/47/49/1081784749.db2.gz TWTBBVWRYCRHSW-AABGKKOBSA-N 0 3 324.468 3.328 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109212121 1081785473 /nfs/dbraw/zinc/78/54/73/1081785473.db2.gz WNAPSTQKKFAOGF-QYZOEREBSA-N 0 3 310.441 3.020 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCc2ccccc21 ZINC001109246174 1081791345 /nfs/dbraw/zinc/79/13/45/1081791345.db2.gz RBZCYNHXLHRKCP-GTAWCEEGSA-N 0 3 322.452 3.055 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109601578 1081879146 /nfs/dbraw/zinc/87/91/46/1081879146.db2.gz GNUVPUSWNMNTFJ-SQNIBIBYSA-N 0 3 312.457 3.429 20 30 DGEDHN C#CCCCCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001156812363 1081889024 /nfs/dbraw/zinc/88/90/24/1081889024.db2.gz RXRVMUHFMUVZMU-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001266489728 1081890902 /nfs/dbraw/zinc/89/09/02/1081890902.db2.gz PCILPOKJNNJYQH-SOUVJXGZSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001266496395 1081898867 /nfs/dbraw/zinc/89/88/67/1081898867.db2.gz LURNUBKUXCYEGL-CALCHBBNSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001266496586 1081898895 /nfs/dbraw/zinc/89/88/95/1081898895.db2.gz RUMPNEJITPKQMW-RYQLBKOJSA-N 0 3 313.445 3.034 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ccc(C)cc1)C2 ZINC001109670050 1081898809 /nfs/dbraw/zinc/89/88/09/1081898809.db2.gz HJAWYLRNWKALFC-AABGKKOBSA-N 0 3 324.468 3.063 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCOC ZINC001266498715 1081901576 /nfs/dbraw/zinc/90/15/76/1081901576.db2.gz ASKLJOMZAQHPJR-ZACQAIPSSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CCC(C)(C)C)C[C@@H](C)O2 ZINC001111550996 1081903311 /nfs/dbraw/zinc/90/33/11/1081903311.db2.gz PQPSFBWSPSLQGF-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C2 ZINC001109765931 1081911108 /nfs/dbraw/zinc/91/11/08/1081911108.db2.gz IBDIEIQQJNRWIA-FUMNGEBKSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCCCC)C[C@@H](C)O2 ZINC001111552939 1081947115 /nfs/dbraw/zinc/94/71/15/1081947115.db2.gz QNDIXGAXNQOKIO-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110024420 1081949162 /nfs/dbraw/zinc/94/91/62/1081949162.db2.gz ITAZZURIIHAFMZ-SQNIBIBYSA-N 0 3 324.509 3.231 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001266528685 1081952180 /nfs/dbraw/zinc/95/21/80/1081952180.db2.gz VZHABQNIQXATSJ-HOTGVXAUSA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CCCCC1)C2 ZINC001110066926 1081958956 /nfs/dbraw/zinc/95/89/56/1081958956.db2.gz VOEUTAKBSKYPKO-QYZOEREBSA-N 0 3 316.489 3.482 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](F)c2ccccc2)CC1 ZINC001167340002 1081985464 /nfs/dbraw/zinc/98/54/64/1081985464.db2.gz QTUGCFANJHIKDI-HNNXBMFYSA-N 0 3 324.827 3.326 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001266552310 1081988514 /nfs/dbraw/zinc/98/85/14/1081988514.db2.gz TYNWSHAQCSFUJF-RBUKOAKNSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001266567165 1082006090 /nfs/dbraw/zinc/00/60/90/1082006090.db2.gz XMMWDJMIPMABFK-IBGZPJMESA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001086560629 1082010272 /nfs/dbraw/zinc/01/02/72/1082010272.db2.gz QWDHGWOYBCKYTH-DUPGQFARSA-N 0 3 312.885 3.296 20 30 DGEDHN CCN1CCN(c2ccc(NC3=CC(=O)C[C@@H](C)C3)cc2)CC1 ZINC001210771623 1082018718 /nfs/dbraw/zinc/01/87/18/1082018718.db2.gz XYRMRARXWRHGCD-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(Cl)c(F)c1)C1CC1 ZINC001266611769 1082068770 /nfs/dbraw/zinc/06/87/70/1082068770.db2.gz XCPNREBCWGISDF-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001266612496 1082069690 /nfs/dbraw/zinc/06/96/90/1082069690.db2.gz UIVBZFQXCSEOEP-HDJSIYSDSA-N 0 3 324.827 3.428 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1scnc1C1CCCC1 ZINC001480886185 1082074474 /nfs/dbraw/zinc/07/44/74/1082074474.db2.gz IQUAOIVDLCJKCP-UHFFFAOYSA-N 0 3 307.463 3.038 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC001113008286 1082083150 /nfs/dbraw/zinc/08/31/50/1082083150.db2.gz MFZFEWGIEIAMNE-IAGOWNOFSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001266620221 1082085855 /nfs/dbraw/zinc/08/58/55/1082085855.db2.gz PLGDFWDUTCFLRU-YOPYJRFPSA-N 0 3 318.848 3.469 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1O[C@H](C)CC ZINC001167418354 1082086300 /nfs/dbraw/zinc/08/63/00/1082086300.db2.gz QLQYDFJIOWELMO-CQSZACIVSA-N 0 3 324.852 3.326 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cccc3cccnc32)CC1 ZINC001113073838 1082108288 /nfs/dbraw/zinc/10/82/88/1082108288.db2.gz KMABKALYZDRYBR-MRXNPFEDSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC001113076985 1082109401 /nfs/dbraw/zinc/10/94/01/1082109401.db2.gz NCLGRJMFBQTNET-KRWDZBQOSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)Oc1ccccc1C ZINC001167449369 1082141655 /nfs/dbraw/zinc/14/16/55/1082141655.db2.gz PSWMSPZJXBQUOE-HNNXBMFYSA-N 0 3 324.852 3.001 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2c(F)cccc2F)CC1 ZINC001113270757 1082157130 /nfs/dbraw/zinc/15/71/30/1082157130.db2.gz ZZUALZOZMIHFSU-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC001113266176 1082160830 /nfs/dbraw/zinc/16/08/30/1082160830.db2.gz NITKWGPWZFGVJL-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC001113294622 1082168859 /nfs/dbraw/zinc/16/88/59/1082168859.db2.gz GRSKHZVLDKZUTO-SFHVURJKSA-N 0 3 314.473 3.345 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001266755212 1082191550 /nfs/dbraw/zinc/19/15/50/1082191550.db2.gz NBZQBSGBAOUIHI-ROUUACIJSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC001113566332 1082252954 /nfs/dbraw/zinc/25/29/54/1082252954.db2.gz QGOFEQORFODHKV-IAGOWNOFSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC001113580615 1082253598 /nfs/dbraw/zinc/25/35/98/1082253598.db2.gz VBSPEQTYEVDXOS-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCCC1CCOCC1 ZINC001266845004 1082261280 /nfs/dbraw/zinc/26/12/80/1082261280.db2.gz SAZKLYHGEPZEIA-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN CC(C)=CCN1CCCC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001266859761 1082276067 /nfs/dbraw/zinc/27/60/67/1082276067.db2.gz PDLWKWRHFXVGLJ-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C)co2)C1 ZINC001086604889 1082280830 /nfs/dbraw/zinc/28/08/30/1082280830.db2.gz AEJXHRGADILKCA-ZWKOTPCHSA-N 0 3 324.424 3.362 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1scnc1C ZINC001266868276 1082288330 /nfs/dbraw/zinc/28/83/30/1082288330.db2.gz DSLNJDGJUTWTJC-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2CCCCC2)C1 ZINC001266890008 1082307231 /nfs/dbraw/zinc/30/72/31/1082307231.db2.gz LHUYUBFGQYYMGL-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](CC)CCC)CC1 ZINC001167542867 1082485171 /nfs/dbraw/zinc/48/51/71/1082485171.db2.gz IQARYKOYGHWLNN-AWEZNQCLSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2oc(CC)nc2C)C1 ZINC001267079934 1082485256 /nfs/dbraw/zinc/48/52/56/1082485256.db2.gz UEIREKAPFXSLDS-GJZGRUSLSA-N 0 3 319.449 3.029 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001167542925 1082486335 /nfs/dbraw/zinc/48/63/35/1082486335.db2.gz KGOGUXYMPUUTRA-OCCSQVGLSA-N 0 3 300.874 3.297 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001267101634 1082515109 /nfs/dbraw/zinc/51/51/09/1082515109.db2.gz WEOLJKUDQDXTNQ-CVEARBPZSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001267101634 1082515116 /nfs/dbraw/zinc/51/51/16/1082515116.db2.gz WEOLJKUDQDXTNQ-CVEARBPZSA-N 0 3 316.445 3.283 20 30 DGEDHN C#CC1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001130096727 1082525273 /nfs/dbraw/zinc/52/52/73/1082525273.db2.gz HUIQWDQUQWIWPZ-FQEVSTJZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001167578178 1082544551 /nfs/dbraw/zinc/54/45/51/1082544551.db2.gz IYRQCZBDBOBRFL-GOEBONIOSA-N 0 3 312.885 3.297 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)C1CCCC1 ZINC001267131852 1082549429 /nfs/dbraw/zinc/54/94/29/1082549429.db2.gz IWCDGVBPLAFYHC-ZDUSSCGKSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1sc(C)cc1C ZINC001267154201 1082573151 /nfs/dbraw/zinc/57/31/51/1082573151.db2.gz YWWFUUBYGVEBDR-GFCCVEGCSA-N 0 3 314.882 3.144 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C[C@H](C)CCC)C[C@H]1c1ccccc1 ZINC001211554003 1082587808 /nfs/dbraw/zinc/58/78/08/1082587808.db2.gz RIZMVHGZBQEJGQ-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001130904306 1082622578 /nfs/dbraw/zinc/62/25/78/1082622578.db2.gz KGJAURKEBGUYNU-RVKKMQEKSA-N 0 3 310.457 3.450 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001267197134 1082626445 /nfs/dbraw/zinc/62/64/45/1082626445.db2.gz HHGPYDPBKQTVCV-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001267215020 1082647307 /nfs/dbraw/zinc/64/73/07/1082647307.db2.gz FXMDPLPDYFWOQJ-KXBFYZLASA-N 0 3 318.461 3.407 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001267225473 1082662676 /nfs/dbraw/zinc/66/26/76/1082662676.db2.gz WQEIDPJJIPYSIB-OAHLLOKOSA-N 0 3 304.434 3.102 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001086666017 1082663900 /nfs/dbraw/zinc/66/39/00/1082663900.db2.gz WPCSQNZJZZOUAL-UONOGXRCSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC[C@H](C)c1ccccc1 ZINC001167665094 1082689040 /nfs/dbraw/zinc/68/90/40/1082689040.db2.gz XYKZOYKGCRJQKS-AWEZNQCLSA-N 0 3 308.853 3.419 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCC(C)C)C[C@H](C)O2 ZINC001131688244 1082703857 /nfs/dbraw/zinc/70/38/57/1082703857.db2.gz JDXCWDVQOHZJME-PKOBYXMFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCCCC)C[C@H](C)O2 ZINC001131697145 1082707889 /nfs/dbraw/zinc/70/78/89/1082707889.db2.gz HEKXUEKYIQPOJJ-HKUYNNGSSA-N 0 3 322.493 3.225 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC001267268410 1082728792 /nfs/dbraw/zinc/72/87/92/1082728792.db2.gz YGGKAIOBXHAHRJ-FQEVSTJZSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cc(C)no2)CC[C@@H]1C ZINC001131784196 1082731734 /nfs/dbraw/zinc/73/17/34/1082731734.db2.gz POZSHZPKGNGUDT-JKSUJKDBSA-N 0 3 319.449 3.312 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc(C)no2)CC[C@@H]1C ZINC001131784194 1082731759 /nfs/dbraw/zinc/73/17/59/1082731759.db2.gz POZSHZPKGNGUDT-HOTGVXAUSA-N 0 3 319.449 3.312 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001211588853 1082732318 /nfs/dbraw/zinc/73/23/18/1082732318.db2.gz ZEFRAVVNYDMLDH-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001131824398 1082735864 /nfs/dbraw/zinc/73/58/64/1082735864.db2.gz BDPZFOMUSIAQJW-JSGCOSHPSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001267276601 1082738720 /nfs/dbraw/zinc/73/87/20/1082738720.db2.gz OURFZPCHIRRNPP-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001267282302 1082746346 /nfs/dbraw/zinc/74/63/46/1082746346.db2.gz PGCALSIWJJMNHL-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001267282299 1082746571 /nfs/dbraw/zinc/74/65/71/1082746571.db2.gz PGCALSIWJJMNHL-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001131895893 1082763533 /nfs/dbraw/zinc/76/35/33/1082763533.db2.gz MYGAGDNMZVNHRH-SJLPKXTDSA-N 0 3 300.446 3.430 20 30 DGEDHN CCCN(CCNC(=O)CC(C)C)Cc1ccc(F)c(C#N)c1 ZINC001267309468 1082774395 /nfs/dbraw/zinc/77/43/95/1082774395.db2.gz LXGGTJLLVLNLSG-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001131959369 1082782479 /nfs/dbraw/zinc/78/24/79/1082782479.db2.gz DKNPMWIUNANQJL-YJBOKZPZSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CCC)Cc1ccc(C)nc1C ZINC001267316220 1082784425 /nfs/dbraw/zinc/78/44/25/1082784425.db2.gz JPYUDBFWVAJMRO-UHFFFAOYSA-N 0 3 317.477 3.239 20 30 DGEDHN C=CC1(CC(=O)NCCN(CC#CC)CCC)CCCCC1 ZINC001267318010 1082787947 /nfs/dbraw/zinc/78/79/47/1082787947.db2.gz DVJCIOWKPGVKCQ-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN Cc1cc(C)cc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c1 ZINC001132034862 1082797508 /nfs/dbraw/zinc/79/75/08/1082797508.db2.gz VVPZEKMKIYNYSC-FXAWDEMLSA-N 0 3 324.468 3.186 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)c(C)c1 ZINC001132033644 1082797668 /nfs/dbraw/zinc/79/76/68/1082797668.db2.gz JEARVUJTAWWXOS-XLIONFOSSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CCN(CCNC(=O)c1cscc1C(F)F)C1CC1 ZINC001267326686 1082798847 /nfs/dbraw/zinc/79/88/47/1082798847.db2.gz YPOXGZYYTZTMMR-UHFFFAOYSA-N 0 3 300.374 3.066 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001267332697 1082808378 /nfs/dbraw/zinc/80/83/78/1082808378.db2.gz QDJIASDTXGPBQP-UHFFFAOYSA-N 0 3 302.462 3.424 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(COC)CCCCC2)CC[C@@H]1C ZINC001132102574 1082817148 /nfs/dbraw/zinc/81/71/48/1082817148.db2.gz XONPTPZMQJBLGT-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(Cc3ccccc3)C2)CCC1 ZINC001132101404 1082817433 /nfs/dbraw/zinc/81/74/33/1082817433.db2.gz LAPQPWFRALZAQX-IEBWSBKVSA-N 0 3 324.468 3.349 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC001267361960 1082832931 /nfs/dbraw/zinc/83/29/31/1082832931.db2.gz MFESYZHSRBJAKR-KRWDZBQOSA-N 0 3 316.351 3.212 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132217927 1082844793 /nfs/dbraw/zinc/84/47/93/1082844793.db2.gz JKEGERYXKCFWER-HZPDHXFCSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132218434 1082844869 /nfs/dbraw/zinc/84/48/69/1082844869.db2.gz QNICTXCRYCDTFS-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132218435 1082844889 /nfs/dbraw/zinc/84/48/89/1082844889.db2.gz QNICTXCRYCDTFS-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOCC(C)C)C1 ZINC001132217650 1082845092 /nfs/dbraw/zinc/84/50/92/1082845092.db2.gz FHQSTVBGDKKUHI-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C(C1CC1)C1CC1)c1ccccc1 ZINC001267377944 1082847658 /nfs/dbraw/zinc/84/76/58/1082847658.db2.gz UWNTXIWUNPSLHZ-SFHVURJKSA-N 0 3 312.457 3.446 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132236089 1082854670 /nfs/dbraw/zinc/85/46/70/1082854670.db2.gz YBRLQLUUECQWBZ-IEBWSBKVSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCN[C@H](CNC(=O)C(C)(C)C(C)(F)F)c1ccccc1 ZINC001267382312 1082855209 /nfs/dbraw/zinc/85/52/09/1082855209.db2.gz OLRAOTMHFYVNFO-CQSZACIVSA-N 0 3 310.388 3.301 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132241040 1082856751 /nfs/dbraw/zinc/85/67/51/1082856751.db2.gz POSOLVJGMNPHMH-CVEARBPZSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(CCOCCCC)C2)C1 ZINC001132288947 1082872661 /nfs/dbraw/zinc/87/26/61/1082872661.db2.gz ZLQOYYWYFOFFRX-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001132304404 1082876095 /nfs/dbraw/zinc/87/60/95/1082876095.db2.gz NLGPMDAMVHNJGT-GFCCVEGCSA-N 0 3 310.388 3.334 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132368620 1082890407 /nfs/dbraw/zinc/89/04/07/1082890407.db2.gz OTFFCGIPSKARTL-MSOLQXFVSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001132375581 1082893913 /nfs/dbraw/zinc/89/39/13/1082893913.db2.gz FSKZKXVFDLXORL-LSDHHAIUSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416608 1082906972 /nfs/dbraw/zinc/90/69/72/1082906972.db2.gz IHNOXWKLCMNEOI-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCCCC3)C(C)(C)[C@H]21 ZINC001087267676 1082911042 /nfs/dbraw/zinc/91/10/42/1082911042.db2.gz FPCZALZFSOFNAG-KURKYZTESA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132456515 1082911833 /nfs/dbraw/zinc/91/18/33/1082911833.db2.gz GBYBSBOPJGGEDL-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccccc3C)C(C)(C)[C@H]21 ZINC001087270298 1082916708 /nfs/dbraw/zinc/91/67/08/1082916708.db2.gz XUTOIONGDZYSFI-QYZOEREBSA-N 0 3 324.468 3.237 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132472892 1082920473 /nfs/dbraw/zinc/92/04/73/1082920473.db2.gz NOGQDULCQOGMFJ-HUUCEWRRSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CCC)C(=O)c2ccns2)C1 ZINC001267467565 1082921929 /nfs/dbraw/zinc/92/19/29/1082921929.db2.gz ZUOBNTKLDDBDGN-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCOc2ccccc2)CC[C@H]1C ZINC001132501470 1082924277 /nfs/dbraw/zinc/92/42/77/1082924277.db2.gz XDIGAZPQHGAYDK-IAGOWNOFSA-N 0 3 316.445 3.001 20 30 DGEDHN C=C[C@@H](CC(=O)NCCN(C)CC=C(C)C)c1ccccc1 ZINC001480950142 1082926606 /nfs/dbraw/zinc/92/66/06/1082926606.db2.gz RMOKWDLBZVVDHJ-KRWDZBQOSA-N 0 3 300.446 3.361 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132505091 1082929333 /nfs/dbraw/zinc/92/93/33/1082929333.db2.gz OYPYRNFOIPVEAH-CVEARBPZSA-N 0 3 306.494 3.441 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CCOC)CCCC2)CC[C@H]1C ZINC001132524204 1082934444 /nfs/dbraw/zinc/93/44/44/1082934444.db2.gz FNNGDLOPASZXTE-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2cnc(CC)s2)CC[C@@H]1C ZINC001132530349 1082935403 /nfs/dbraw/zinc/93/54/03/1082935403.db2.gz XFLWORYTZWRIDS-KBPBESRZSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132569596 1082948355 /nfs/dbraw/zinc/94/83/55/1082948355.db2.gz UWVAYSYVAVOJCW-HUUCEWRRSA-N 0 3 317.477 3.177 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132574275 1082950494 /nfs/dbraw/zinc/95/04/94/1082950494.db2.gz YQGWUHRKISUDQJ-STQMWFEESA-N 0 3 324.852 3.013 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001132651223 1082972019 /nfs/dbraw/zinc/97/20/19/1082972019.db2.gz VJLOBORXIBPZMS-NSHDSACASA-N 0 3 300.855 3.210 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001132652990 1082972726 /nfs/dbraw/zinc/97/27/26/1082972726.db2.gz BHBHFKXMMARIQL-PXAZEXFGSA-N 0 3 322.399 3.260 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132659406 1082973356 /nfs/dbraw/zinc/97/33/56/1082973356.db2.gz UWKYSIYDOORRPR-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001132662886 1082974105 /nfs/dbraw/zinc/97/41/05/1082974105.db2.gz LLQVNHYEMPYREA-QWHCGFSZSA-N 0 3 310.388 3.334 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC001267523851 1082984177 /nfs/dbraw/zinc/98/41/77/1082984177.db2.gz XYFJVXDBQICJSE-RTBURBONSA-N 0 3 324.399 3.168 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCc2ccsc2)C1 ZINC001267542432 1083009369 /nfs/dbraw/zinc/00/93/69/1083009369.db2.gz WQIWBFWYJMCDBO-KRWDZBQOSA-N 0 3 318.486 3.017 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNCc2nccs2)C1 ZINC001132865626 1083010331 /nfs/dbraw/zinc/01/03/31/1083010331.db2.gz PPIHTKLFOABHCN-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc(Cl)cn2C)C1 ZINC001267545111 1083013565 /nfs/dbraw/zinc/01/35/65/1083013565.db2.gz YRTYVWUPMORPNB-OAHLLOKOSA-N 0 3 323.868 3.181 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001267548485 1083019420 /nfs/dbraw/zinc/01/94/20/1083019420.db2.gz GNLKQJBFBRUUSI-QGZVFWFLSA-N 0 3 323.440 3.118 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001111949327 1083025771 /nfs/dbraw/zinc/02/57/71/1083025771.db2.gz ZDKRIJIMUWTPGX-LNLFQRSKSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CC1(CC(=O)NCC[C@H]2CCN(CCF)C2)CCCCC1 ZINC001267566305 1083047019 /nfs/dbraw/zinc/04/70/19/1083047019.db2.gz CXCOKYLBVSXTKC-INIZCTEOSA-N 0 3 310.457 3.311 20 30 DGEDHN C=CCCC(=O)NCCN(CC)[C@@H]1CCc2ccc(F)cc21 ZINC001480964284 1083051383 /nfs/dbraw/zinc/05/13/83/1083051383.db2.gz QJLFHWWHIYWAQX-QGZVFWFLSA-N 0 3 304.409 3.217 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)CC1 ZINC001267570163 1083057323 /nfs/dbraw/zinc/05/73/23/1083057323.db2.gz JOLRUMULPCYYPA-QPOBUALMSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1C ZINC001104553231 1083102793 /nfs/dbraw/zinc/10/27/93/1083102793.db2.gz WUHVIZFKKOFZCK-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCC1(C(=O)NCCNCc2cc(F)ccc2C)CC1 ZINC001133376135 1083108730 /nfs/dbraw/zinc/10/87/30/1083108730.db2.gz YYQZDXDVWJTDJU-UHFFFAOYSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)/C(C)=C\CC ZINC001133385149 1083112046 /nfs/dbraw/zinc/11/20/46/1083112046.db2.gz AHXPHHXIMHVXOZ-CHHVJCJISA-N 0 3 318.848 3.248 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C(F)=C(C)C ZINC001133390773 1083113799 /nfs/dbraw/zinc/11/37/99/1083113799.db2.gz IINQFGWCDOEPLK-UHFFFAOYSA-N 0 3 322.811 3.155 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001481052582 1083136653 /nfs/dbraw/zinc/13/66/53/1083136653.db2.gz NKJCDMDABWZJEU-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)c1ccccc1)NCc1ccccc1C#N ZINC001133526319 1083146776 /nfs/dbraw/zinc/14/67/76/1083146776.db2.gz TWNCDSZDGPRHGP-HOTGVXAUSA-N 0 3 321.424 3.245 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)c1ccccc1)NCc1ccccc1C#N ZINC001133526320 1083146934 /nfs/dbraw/zinc/14/69/34/1083146934.db2.gz TWNCDSZDGPRHGP-HZPDHXFCSA-N 0 3 321.424 3.245 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001481072249 1083148057 /nfs/dbraw/zinc/14/80/57/1083148057.db2.gz WMNXLFGLVRUHOF-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C1CC(C)(C(=O)NCCNCc2ccc(Cl)c(F)c2)C1 ZINC001133570358 1083153090 /nfs/dbraw/zinc/15/30/90/1083153090.db2.gz XKVCJCZELWCYMY-UHFFFAOYSA-N 0 3 310.800 3.041 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2c(C)nsc2C)C1 ZINC001481096405 1083166873 /nfs/dbraw/zinc/16/68/73/1083166873.db2.gz RUMLQGYKXZTDGY-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)/C(C)=C/CC ZINC001133839535 1083201585 /nfs/dbraw/zinc/20/15/85/1083201585.db2.gz GOTOBMTUAQRJLK-ILGUYDGLSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2nccs2)C1 ZINC001267619496 1083220153 /nfs/dbraw/zinc/22/01/53/1083220153.db2.gz ORRPOXDSDHHAPP-CQSZACIVSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(C(F)F)ccc1F)C1CC1 ZINC001481170029 1083222533 /nfs/dbraw/zinc/22/25/33/1083222533.db2.gz AWYKGFVDJSWIFZ-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001267624147 1083226117 /nfs/dbraw/zinc/22/61/17/1083226117.db2.gz RQVSYPKDJRXGNW-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2cccc(C)c2)CCC1)C1CC1 ZINC001481179634 1083227184 /nfs/dbraw/zinc/22/71/84/1083227184.db2.gz IACYAMQBABXCBU-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001134047639 1083231743 /nfs/dbraw/zinc/23/17/43/1083231743.db2.gz PVOVBWJPVXELJX-WWRZCIAWSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2cnccc2c1)C1CC1 ZINC001481193181 1083236259 /nfs/dbraw/zinc/23/62/59/1083236259.db2.gz MBJCIZBXSXDMET-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001267653537 1083246982 /nfs/dbraw/zinc/24/69/82/1083246982.db2.gz VGYJIUJOFOBYSL-ZDUSSCGKSA-N 0 3 306.372 3.075 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)C(F)=C(C)C ZINC001134081187 1083238156 /nfs/dbraw/zinc/23/81/56/1083238156.db2.gz FHSJGRFMCQEEEC-QWRGUYRKSA-N 0 3 321.234 3.031 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C)(C)c1ccccc1C)C1CC1 ZINC001481198793 1083240871 /nfs/dbraw/zinc/24/08/71/1083240871.db2.gz DIKOXMGEBSTBTD-UHFFFAOYSA-N 0 3 314.473 3.429 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(c2cccc(C)c2)CC1)C1CC1 ZINC001481201122 1083245117 /nfs/dbraw/zinc/24/51/17/1083245117.db2.gz WDIILLITVHWZBS-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001267687792 1083264995 /nfs/dbraw/zinc/26/49/95/1083264995.db2.gz OBNXEUJRJCLGRI-GOSISDBHSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001134417938 1083286766 /nfs/dbraw/zinc/28/67/66/1083286766.db2.gz CAWRZXOCVMRQIH-UONOGXRCSA-N 0 3 319.449 3.124 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC001134418421 1083286801 /nfs/dbraw/zinc/28/68/01/1083286801.db2.gz KFUYAHVLBLOODA-KGLIPLIRSA-N 0 3 321.490 3.284 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001267728753 1083287321 /nfs/dbraw/zinc/28/73/21/1083287321.db2.gz IDRPPCYRQHDKCN-KRWDZBQOSA-N 0 3 318.486 3.249 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCCC)C[C@H]1C(F)(F)F ZINC001112047823 1083297459 /nfs/dbraw/zinc/29/74/59/1083297459.db2.gz OMSSKGIMTYBVAF-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1C ZINC001104778753 1083301522 /nfs/dbraw/zinc/30/15/22/1083301522.db2.gz MVTRQOJNWOLATP-VDNDLQMASA-N 0 3 324.896 3.249 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267742888 1083309357 /nfs/dbraw/zinc/30/93/57/1083309357.db2.gz CYUQCWICKKGROW-LJQANCHMSA-N 0 3 312.457 3.454 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC)CCCC)C[C@H]1C(F)(F)F ZINC001112052044 1083310218 /nfs/dbraw/zinc/31/02/18/1083310218.db2.gz WNNOVXRNNHSLTI-BFHYXJOUSA-N 0 3 320.399 3.368 20 30 DGEDHN C[C@H](CC1CCCC1)C(=O)NCCNCc1ccc(C#N)s1 ZINC001134683883 1083318859 /nfs/dbraw/zinc/31/88/59/1083318859.db2.gz YIJFKLTWWYLPRK-CYBMUJFWSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001267753607 1083320501 /nfs/dbraw/zinc/32/05/01/1083320501.db2.gz INGSJNVROLWFOC-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001267771647 1083334807 /nfs/dbraw/zinc/33/48/07/1083334807.db2.gz KSCYTHGOJXMVEP-WMLDXEAASA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccc(F)cc2F)C1 ZINC001267786807 1083347257 /nfs/dbraw/zinc/34/72/57/1083347257.db2.gz PZMUGVKFMCFEKX-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN CC[C@@H](CNC(=O)CCC1(C)CC1)NCc1ccc(C#N)s1 ZINC001267827782 1083394132 /nfs/dbraw/zinc/39/41/32/1083394132.db2.gz XKVBAQUTABPWAO-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(OC)c2)CCCC1 ZINC001267842722 1083431285 /nfs/dbraw/zinc/43/12/85/1083431285.db2.gz BECJHKUANDGBGC-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)Cc1ccco1)C1CC1 ZINC001267862442 1083468500 /nfs/dbraw/zinc/46/85/00/1083468500.db2.gz NCEBUAOANZQVEH-SJKOYZFVSA-N 0 3 324.852 3.085 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccccc2OC(C)C)C1 ZINC001181512163 1083481482 /nfs/dbraw/zinc/48/14/82/1083481482.db2.gz YAFPJWOQMIUMKN-QGZVFWFLSA-N 0 3 316.445 3.131 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCC2CCC2)CC1 ZINC001151047365 1083484378 /nfs/dbraw/zinc/48/43/78/1083484378.db2.gz MYMZTQNQAXGCHZ-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001267891867 1083524033 /nfs/dbraw/zinc/52/40/33/1083524033.db2.gz XWOJEDVCZRMAPI-LSDHHAIUSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001267928830 1083586112 /nfs/dbraw/zinc/58/61/12/1083586112.db2.gz FQBSDHYTQVXBCA-ZQIUZPCESA-N 0 3 321.490 3.262 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001267936843 1083603286 /nfs/dbraw/zinc/60/32/86/1083603286.db2.gz CJIJJUAOQOSOPE-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)CN[C@H](C)c1c(F)cccc1F ZINC001267978706 1083689476 /nfs/dbraw/zinc/68/94/76/1083689476.db2.gz DPGJKNXOWWUMBU-CHWSQXEVSA-N 0 3 310.388 3.334 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001167764157 1083715011 /nfs/dbraw/zinc/71/50/11/1083715011.db2.gz JSJKZJBUUMFPDX-HNNXBMFYSA-N 0 3 320.864 3.419 20 30 DGEDHN CCC(CC)CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001481296567 1083715350 /nfs/dbraw/zinc/71/53/50/1083715350.db2.gz XAQHRDPNBBULNP-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl)C1 ZINC001268001804 1083724798 /nfs/dbraw/zinc/72/47/98/1083724798.db2.gz KHWWFNONGLAFON-MDUDVEDUSA-N 0 3 305.249 3.004 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H]1CCc2ccc(F)cc21 ZINC001182592722 1083760203 /nfs/dbraw/zinc/76/02/03/1083760203.db2.gz HHEDBTHTWAGAIA-WBVHZDCISA-N 0 3 316.420 3.012 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151259519 1083778570 /nfs/dbraw/zinc/77/85/70/1083778570.db2.gz SXXILGSSEXWFKU-IRXDYDNUSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001182918130 1083841177 /nfs/dbraw/zinc/84/11/77/1083841177.db2.gz AZTCUZLPNYYMBU-LSDHHAIUSA-N 0 3 304.409 3.434 20 30 DGEDHN CN(C)/C=N/c1ccc(NCc2ccc3c(c2)CCO3)cc1C#N ZINC001167782286 1083853726 /nfs/dbraw/zinc/85/37/26/1083853726.db2.gz RYCRUJCHEZZDTG-LPYMAVHISA-N 0 3 320.396 3.327 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CCC)C(=O)c2scnc2C)C1 ZINC001481392561 1083855185 /nfs/dbraw/zinc/85/51/85/1083855185.db2.gz KGSWJVMESDNNGI-HNNXBMFYSA-N 0 3 321.490 3.344 20 30 DGEDHN Cc1ccc(NC(=O)c2cc(C#N)ccc2F)c(CN(C)C)c1 ZINC001126182026 1083919953 /nfs/dbraw/zinc/91/99/53/1083919953.db2.gz CXDGEGPARXGOGI-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)c2ccccc2)CC1 ZINC001167797844 1083992221 /nfs/dbraw/zinc/99/22/21/1083992221.db2.gz JSJKZJBUUMFPDX-OAHLLOKOSA-N 0 3 320.864 3.419 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)/C(C)=C\C)C1 ZINC001481508290 1084034475 /nfs/dbraw/zinc/03/44/75/1084034475.db2.gz HWHLLIBGXJNSHI-ZYCWUHPBSA-N 0 3 324.468 3.469 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1sccc1Cl ZINC001268060520 1084071706 /nfs/dbraw/zinc/07/17/06/1084071706.db2.gz VXAGLFNBCIHMPW-GFCCVEGCSA-N 0 3 312.866 3.142 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183961199 1084075048 /nfs/dbraw/zinc/07/50/48/1084075048.db2.gz XNUBFCPTAZRKOR-HOTGVXAUSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001268079885 1084117421 /nfs/dbraw/zinc/11/74/21/1084117421.db2.gz GAACHJWNAWRHKV-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN COc1cccc([C@@H](CNc2cc(F)ccc2C#N)N(C)C)c1 ZINC001184491574 1084184133 /nfs/dbraw/zinc/18/41/33/1084184133.db2.gz NTYKHVFWMUULCO-GOSISDBHSA-N 0 3 313.376 3.421 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2nccs2)[C@H](C)C1 ZINC001268126176 1084209876 /nfs/dbraw/zinc/20/98/76/1084209876.db2.gz CLIIIBLHXPXYHF-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2nccs2)[C@@H](C)C1 ZINC001268126175 1084210381 /nfs/dbraw/zinc/21/03/81/1084210381.db2.gz CLIIIBLHXPXYHF-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1c1ccccc1 ZINC001211700602 1084215320 /nfs/dbraw/zinc/21/53/20/1084215320.db2.gz KTYMXATWCCFYHP-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(C)cc2)CC1 ZINC001167849495 1084219233 /nfs/dbraw/zinc/21/92/33/1084219233.db2.gz VOSLCMUOLNHTTC-UHFFFAOYSA-N 0 3 306.837 3.237 20 30 DGEDHN C/C=C(\C)C(=O)N1CCC[C@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001268183918 1084298280 /nfs/dbraw/zinc/29/82/80/1084298280.db2.gz HYXPOPCOKJEGCV-QMXDDDEPSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(CC(F)(F)F)C2 ZINC001273494970 1084301698 /nfs/dbraw/zinc/30/16/98/1084301698.db2.gz KNAWPNDEQORNFG-OAHLLOKOSA-N 0 3 318.383 3.362 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1ccc(F)cn1)C(C)C ZINC001268215975 1084340689 /nfs/dbraw/zinc/34/06/89/1084340689.db2.gz DXTJHDCCZMHJAZ-FUHWJXTLSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)c1ccc(C)o1)C(C)C ZINC001268221787 1084350470 /nfs/dbraw/zinc/35/04/70/1084350470.db2.gz DYHBTNVWGNWODN-ZIAGYGMSSA-N 0 3 312.841 3.174 20 30 DGEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001273500029 1084391955 /nfs/dbraw/zinc/39/19/55/1084391955.db2.gz HACNEAFWXHDZRJ-MRXNPFEDSA-N 0 3 300.393 3.065 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3sccc3Cl)C2)C1=O ZINC001205326872 1084402468 /nfs/dbraw/zinc/40/24/68/1084402468.db2.gz NXAPKJLAPDRUIZ-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCCc1ccc(C)cc1 ZINC001268247855 1084404820 /nfs/dbraw/zinc/40/48/20/1084404820.db2.gz VEVZDZKFZOSIHE-UHFFFAOYSA-N 0 3 302.462 3.284 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC(C)(C)CC(F)(F)F ZINC001268256783 1084420904 /nfs/dbraw/zinc/42/09/04/1084420904.db2.gz VUSSDWOVNKYGNW-UHFFFAOYSA-N 0 3 308.388 3.321 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001481679867 1084470973 /nfs/dbraw/zinc/47/09/73/1084470973.db2.gz OAQZCHNJDPZJKZ-XLAORIBOSA-N 0 3 304.478 3.288 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001481706734 1084501340 /nfs/dbraw/zinc/50/13/40/1084501340.db2.gz MSSRVCKLHMYTGF-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001110369011 1084520755 /nfs/dbraw/zinc/52/07/55/1084520755.db2.gz UKTCLUAFBLPQHZ-AQNXPRMDSA-N 0 3 324.468 3.363 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@]1(C)CCC[C@H]1C ZINC001279317534 1084521581 /nfs/dbraw/zinc/52/15/81/1084521581.db2.gz CZFUQHDBOJSCDE-XLIONFOSSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001481718977 1084528047 /nfs/dbraw/zinc/52/80/47/1084528047.db2.gz GNYHWHBZLCIGPS-KRWDZBQOSA-N 0 3 311.429 3.167 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ccncc1Cl ZINC001268388491 1084551178 /nfs/dbraw/zinc/55/11/78/1084551178.db2.gz CHKNSUFQBFWPGW-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001268393943 1084555025 /nfs/dbraw/zinc/55/50/25/1084555025.db2.gz XSZSEEBHVCAIQK-MRXNPFEDSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001268407505 1084572843 /nfs/dbraw/zinc/57/28/43/1084572843.db2.gz YJFJCKMJZRZAHJ-HYVNUMGLSA-N 0 3 320.864 3.335 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001481782120 1084635013 /nfs/dbraw/zinc/63/50/13/1084635013.db2.gz NBUPJQAGSMIZOM-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)N[C@@H](C)c1ccc(F)cc1F ZINC001481809132 1084645654 /nfs/dbraw/zinc/64/56/54/1084645654.db2.gz IFDAXOGNPHTNDD-DZGCQCFKSA-N 0 3 322.399 3.170 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC1CC1)N[C@H](C)c1ccccc1Cl ZINC001481811213 1084649138 /nfs/dbraw/zinc/64/91/38/1084649138.db2.gz NSOJUTHWOBTJDH-HIFRSBDPSA-N 0 3 318.848 3.299 20 30 DGEDHN CC(C)(C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001186457777 1084655899 /nfs/dbraw/zinc/65/58/99/1084655899.db2.gz AOZLWYXYYUMOCM-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001481856507 1084672978 /nfs/dbraw/zinc/67/29/78/1084672978.db2.gz HCFWLCSMTGZRMN-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)c2ccco2)CCCC1 ZINC001481904842 1084696094 /nfs/dbraw/zinc/69/60/94/1084696094.db2.gz UAQHMVKGUAODLQ-ZDUSSCGKSA-N 0 3 310.825 3.154 20 30 DGEDHN C=C[C@H](C(=O)N(CC)CCNC/C=C\Cl)c1ccccc1 ZINC001268500288 1084733720 /nfs/dbraw/zinc/73/37/20/1084733720.db2.gz VTRMNERDOCAYSM-CLOOOTJHSA-N 0 3 306.837 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001481984404 1084748639 /nfs/dbraw/zinc/74/86/39/1084748639.db2.gz PHAMLFSFJIQMMJ-GJZGRUSLSA-N 0 3 324.852 3.354 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(Cc3cc(C)sc3C)C[C@H]21 ZINC001187208645 1084775403 /nfs/dbraw/zinc/77/54/03/1084775403.db2.gz HOQDEIIRCOOZJX-DOTOQJQBSA-N 0 3 318.486 3.364 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001187210049 1084776311 /nfs/dbraw/zinc/77/63/11/1084776311.db2.gz SAMJFDKXTZZYHL-UWWQBHOKSA-N 0 3 316.420 3.386 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2(CC=C)CCCC2)cc1 ZINC001482035426 1084787473 /nfs/dbraw/zinc/78/74/73/1084787473.db2.gz AGTFJKXWGLTCOD-UHFFFAOYSA-N 0 3 310.441 3.162 20 30 DGEDHN CC#CCCCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001482069744 1084821449 /nfs/dbraw/zinc/82/14/49/1084821449.db2.gz AGLUDLWAWHYSST-IZZDOVSWSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1nc(C)c(C)s1 ZINC001482105816 1084839703 /nfs/dbraw/zinc/83/97/03/1084839703.db2.gz OOVDFARPFUJCLO-GFCCVEGCSA-N 0 3 323.506 3.204 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001268639216 1084907476 /nfs/dbraw/zinc/90/74/76/1084907476.db2.gz IZTXZXWERDRSDA-HWIKDYBBSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001268687769 1084947478 /nfs/dbraw/zinc/94/74/78/1084947478.db2.gz FUIQFIONHUIGPJ-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cccnc2)CCCCC1 ZINC001268716658 1084967555 /nfs/dbraw/zinc/96/75/55/1084967555.db2.gz JRKXZQONBULFBY-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(OC)c1C ZINC001268741852 1085014365 /nfs/dbraw/zinc/01/43/65/1085014365.db2.gz ZXUFSWIAUSQMTJ-CQSZACIVSA-N 0 3 318.461 3.152 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001268749360 1085025860 /nfs/dbraw/zinc/02/58/60/1085025860.db2.gz VWBHTFSIQKGVEI-WMZOPIPTSA-N 0 3 302.462 3.186 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001268800453 1085056859 /nfs/dbraw/zinc/05/68/59/1085056859.db2.gz OGAJOYUCIOFEMB-UONOGXRCSA-N 0 3 312.866 3.042 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccc1 ZINC001268934836 1085084234 /nfs/dbraw/zinc/08/42/34/1085084234.db2.gz LNXBTDNVFHTJLF-SQNIBIBYSA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001268947176 1085086654 /nfs/dbraw/zinc/08/66/54/1085086654.db2.gz DZCLLHDBMLPHGT-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCc2ccccc21 ZINC001268974578 1085092172 /nfs/dbraw/zinc/09/21/72/1085092172.db2.gz WRAQGOQSFZUUTH-FHWLQOOXSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CC(F)(F)F ZINC001268978436 1085093536 /nfs/dbraw/zinc/09/35/36/1085093536.db2.gz AIEUCWRMRPWJQM-RDBSUJKOSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CC(F)(F)F ZINC001268978435 1085093599 /nfs/dbraw/zinc/09/35/99/1085093599.db2.gz AIEUCWRMRPWJQM-IHRRRGAJSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001269138220 1085153203 /nfs/dbraw/zinc/15/32/03/1085153203.db2.gz CFLNSYNLORQQCS-CYBMUJFWSA-N 0 3 321.490 3.211 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2C)C1 ZINC001269262319 1085245094 /nfs/dbraw/zinc/24/50/94/1085245094.db2.gz GRSZVORVWLZFKJ-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001269268848 1085252150 /nfs/dbraw/zinc/25/21/50/1085252150.db2.gz QMKZIRFCWIHNHE-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1c(C)cc(C)cc1C ZINC001269284489 1085267702 /nfs/dbraw/zinc/26/77/02/1085267702.db2.gz DKWOHRSXGHQIFA-GOSISDBHSA-N 0 3 314.473 3.311 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001269310590 1085294807 /nfs/dbraw/zinc/29/48/07/1085294807.db2.gz NJVAYTUXIVMLHL-PBHICJAKSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001269350881 1085329797 /nfs/dbraw/zinc/32/97/97/1085329797.db2.gz KZSYQDHMVPTNTA-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)N[C@H](C)c1ccc(F)cc1F ZINC001269378738 1085351287 /nfs/dbraw/zinc/35/12/87/1085351287.db2.gz UYUNCKWMLYXQKP-OCCSQVGLSA-N 0 3 310.388 3.476 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](CC)NCc1ccc(F)c(F)c1 ZINC001269453603 1085394056 /nfs/dbraw/zinc/39/40/56/1085394056.db2.gz FVPIIZHJPBLHDR-HNNXBMFYSA-N 0 3 322.399 3.143 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)C(C)C ZINC001284554039 1085475810 /nfs/dbraw/zinc/47/58/10/1085475810.db2.gz YBUOTRHWJSVUBG-QZTJIDSGSA-N 0 3 304.478 3.005 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC2 ZINC001482244728 1085574794 /nfs/dbraw/zinc/57/47/94/1085574794.db2.gz FOIMSBUUACSGOM-DLBZAZTESA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC2 ZINC001482244730 1085575672 /nfs/dbraw/zinc/57/56/72/1085575672.db2.gz FOIMSBUUACSGOM-IRXDYDNUSA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2 ZINC001482245509 1085578936 /nfs/dbraw/zinc/57/89/36/1085578936.db2.gz YTCQCGWQVXGVQW-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001270015270 1085653375 /nfs/dbraw/zinc/65/33/75/1085653375.db2.gz KZYFWFRZUALZAJ-GUVYXZIWSA-N 0 3 317.458 3.057 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2sccc2Cl)cc1 ZINC001270060181 1085675517 /nfs/dbraw/zinc/67/55/17/1085675517.db2.gz KIONYSBPTAQPMZ-UHFFFAOYSA-N 0 3 318.829 3.054 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C)cc1 ZINC001270071064 1085679170 /nfs/dbraw/zinc/67/91/70/1085679170.db2.gz KUPBKPLXVRSXDE-QFBILLFUSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccns1)C1CCCC1 ZINC001270404027 1085801933 /nfs/dbraw/zinc/80/19/33/1085801933.db2.gz REQVGFGBIUVKPK-INIZCTEOSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001270477625 1085827487 /nfs/dbraw/zinc/82/74/87/1085827487.db2.gz CFRGXRGPHLIDSH-GFCCVEGCSA-N 0 3 310.388 3.019 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccc(OC)c(C)c2)C1 ZINC001270557621 1085861858 /nfs/dbraw/zinc/86/18/58/1085861858.db2.gz MLVCBERKACETOF-IBGZPJMESA-N 0 3 316.445 3.050 20 30 DGEDHN CCCCCCCN1CC[C@@](C)(NC(=O)c2ccns2)C1 ZINC001270590996 1085875426 /nfs/dbraw/zinc/87/54/26/1085875426.db2.gz SKGCNEDTQVCWSZ-MRXNPFEDSA-N 0 3 309.479 3.308 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001270649621 1085917754 /nfs/dbraw/zinc/91/77/54/1085917754.db2.gz PDHNSNYDUINKKY-CQSZACIVSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001105389308 1086129245 /nfs/dbraw/zinc/12/92/45/1086129245.db2.gz NCGQSTRDPMIPBF-ULUBDBHXSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001105389307 1086129733 /nfs/dbraw/zinc/12/97/33/1086129733.db2.gz NCGQSTRDPMIPBF-ROBMAMTRSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001105391672 1086160237 /nfs/dbraw/zinc/16/02/37/1086160237.db2.gz ITFHZYZSKYJLPV-JRJUITNWSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)C2CC2)C1 ZINC001270957982 1086216785 /nfs/dbraw/zinc/21/67/85/1086216785.db2.gz DXMHNSZSGKTNNZ-IBGZPJMESA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001271073720 1086276095 /nfs/dbraw/zinc/27/60/95/1086276095.db2.gz BQBYVAIHEQLMCE-MSOLQXFVSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2COC)[C@H]1CC ZINC001087624289 1086331439 /nfs/dbraw/zinc/33/14/39/1086331439.db2.gz VAHZVEPUVPDYTH-LSDHHAIUSA-N 0 3 322.474 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@H]1CC ZINC001087737095 1086385291 /nfs/dbraw/zinc/38/52/91/1086385291.db2.gz CYJYGFSPVFWVGT-WCXIOVBPSA-N 0 3 304.478 3.358 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087742863 1086389084 /nfs/dbraw/zinc/38/90/84/1086389084.db2.gz FXMRCRRNEDDBNG-RYQLBKOJSA-N 0 3 300.446 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3scnc3c2)[C@H]1CC ZINC001087781672 1086407808 /nfs/dbraw/zinc/40/78/08/1086407808.db2.gz XOPNUGNTPCGEQQ-DZGCQCFKSA-N 0 3 315.442 3.065 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)[C@H]1CC ZINC001087809846 1086418553 /nfs/dbraw/zinc/41/85/53/1086418553.db2.gz OKBYKPNAGHJUJF-GXTWGEPZSA-N 0 3 317.458 3.388 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1CC ZINC001087808419 1086419655 /nfs/dbraw/zinc/41/96/55/1086419655.db2.gz OKZJRHYTGZMBKL-LSDHHAIUSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)[C@H]1CC ZINC001087813737 1086422306 /nfs/dbraw/zinc/42/23/06/1086422306.db2.gz DLQWHLBIKRFGMD-PFSRBDOWSA-N 0 3 314.420 3.213 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2csc3c2CCCC3)[C@H]1CC ZINC001087821434 1086428817 /nfs/dbraw/zinc/42/88/17/1086428817.db2.gz JSCDNZWRXIMBAN-JKSUJKDBSA-N 0 3 318.486 3.396 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)[C@H]1CC ZINC001087835445 1086435420 /nfs/dbraw/zinc/43/54/20/1086435420.db2.gz AAMQWMWPEWEGQY-OAUYIBNBSA-N 0 3 322.399 3.223 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@H]1CC ZINC001087835547 1086435827 /nfs/dbraw/zinc/43/58/27/1086435827.db2.gz FHLQLXVBBCAWNW-RRQGHBQHSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1scnc1C)CC(C)C ZINC001271286889 1086564868 /nfs/dbraw/zinc/56/48/68/1086564868.db2.gz XMEDIBKYRUXAJT-AWEZNQCLSA-N 0 3 323.506 3.284 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CC3CCCCCC3)C[C@@H]2C1 ZINC001088122161 1086614616 /nfs/dbraw/zinc/61/46/16/1086614616.db2.gz OZODRNUNPJQYME-MOPGFXCFSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CC(C)C1)c1ccccc1CC ZINC001271445650 1086634054 /nfs/dbraw/zinc/63/40/54/1086634054.db2.gz HIEDXQKVENXPJI-GXOAENINSA-N 0 3 312.457 3.065 20 30 DGEDHN C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001271484487 1086666643 /nfs/dbraw/zinc/66/66/43/1086666643.db2.gz DSJFISQJOKNNSB-CQSZACIVSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCc1conc1CC ZINC001271493441 1086668889 /nfs/dbraw/zinc/66/88/89/1086668889.db2.gz AZDWUTUOZQIUBT-INIZCTEOSA-N 0 3 319.449 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001271503793 1086671059 /nfs/dbraw/zinc/67/10/59/1086671059.db2.gz CJYNDRNNIPLGMX-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cccs2)C1 ZINC001088255115 1086724880 /nfs/dbraw/zinc/72/48/80/1086724880.db2.gz GXIQWOOVPPWRMX-CYBMUJFWSA-N 0 3 312.866 3.475 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cccs2)C1 ZINC001088255116 1086724961 /nfs/dbraw/zinc/72/49/61/1086724961.db2.gz GXIQWOOVPPWRMX-ZDUSSCGKSA-N 0 3 312.866 3.475 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CCCCC)C(C)C)C[C@]2(C)C1 ZINC001101421417 1086767455 /nfs/dbraw/zinc/76/74/55/1086767455.db2.gz FUAKVXXGZGPUHJ-HBFSDRIKSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](CC)SC)C1 ZINC001088297112 1086773629 /nfs/dbraw/zinc/77/36/29/1086773629.db2.gz HTHYBAPJKJKBLL-KGLIPLIRSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)n2cccc2)C1 ZINC001088297100 1086773862 /nfs/dbraw/zinc/77/38/62/1086773862.db2.gz HOPDTWAWOCQTPG-HOTGVXAUSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc[nH]c2CC)C1 ZINC001088307910 1086783353 /nfs/dbraw/zinc/78/33/53/1086783353.db2.gz IFAKGRFYPBDONW-CQSZACIVSA-N 0 3 323.868 3.304 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccoc1C(C)C ZINC001271827230 1086784838 /nfs/dbraw/zinc/78/48/38/1086784838.db2.gz UIJDVDVIPGJWNE-UHFFFAOYSA-N 0 3 324.424 3.268 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc2c(o1)CCCC2)C(C)C ZINC001482534157 1086792506 /nfs/dbraw/zinc/79/25/06/1086792506.db2.gz QHELYRYFJUQOTQ-CQSZACIVSA-N 0 3 324.852 3.255 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cc(C)cc(C)c1)C(C)C ZINC001271892948 1086813081 /nfs/dbraw/zinc/81/30/81/1086813081.db2.gz MSVVZUZMEKOQFL-KRWDZBQOSA-N 0 3 322.880 3.329 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1c(C)cccc1C)C(C)C ZINC001271904008 1086824960 /nfs/dbraw/zinc/82/49/60/1086824960.db2.gz WTBSMSOYKAGXLW-OAHLLOKOSA-N 0 3 308.853 3.400 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cccc(F)c1F)C(C)C ZINC001482548703 1086848537 /nfs/dbraw/zinc/84/85/37/1086848537.db2.gz SCCQZHALTKCZTD-OAHLLOKOSA-N 0 3 324.415 3.407 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCc2cnoc2C)C1 ZINC001088360204 1086859714 /nfs/dbraw/zinc/85/97/14/1086859714.db2.gz SYWBHMLSPIBFQT-MRXNPFEDSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001088378289 1086887826 /nfs/dbraw/zinc/88/78/26/1086887826.db2.gz DPGSDNCXTYPAJZ-GFCCVEGCSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001088392147 1086904999 /nfs/dbraw/zinc/90/49/99/1086904999.db2.gz BVFGDLSPZDYRKL-CABCVRRESA-N 0 3 300.874 3.392 20 30 DGEDHN C=C[C@H](C(=O)N1CCCCC[C@@H](NCCF)C1)c1ccccc1 ZINC001088429219 1086930427 /nfs/dbraw/zinc/93/04/27/1086930427.db2.gz LXCODVDRUQVFEC-MSOLQXFVSA-N 0 3 318.436 3.287 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccsc1 ZINC001272014725 1086972461 /nfs/dbraw/zinc/97/24/61/1086972461.db2.gz DPEQOZGGGOULKS-DLBZAZTESA-N 0 3 316.470 3.117 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCCC(C)C ZINC001272046254 1087026895 /nfs/dbraw/zinc/02/68/95/1087026895.db2.gz XSPQNKLHRVFVJV-ROUUACIJSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)CCc1ccccc1F ZINC001482599114 1087042201 /nfs/dbraw/zinc/04/22/01/1087042201.db2.gz PRSNCTANRWDMKE-UHFFFAOYSA-N 0 3 320.452 3.361 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C)[C@H](C)C1 ZINC001168202124 1087051753 /nfs/dbraw/zinc/05/17/53/1087051753.db2.gz QSKAZFDTEMOBQB-FNYPPERVSA-N 0 3 319.493 3.284 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCC(C)CC1 ZINC001168217761 1087060741 /nfs/dbraw/zinc/06/07/41/1087060741.db2.gz OCJHLHJZMVBWGU-DQPZFDDXSA-N 0 3 303.450 3.101 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@H]1C ZINC001088588542 1087112394 /nfs/dbraw/zinc/11/23/94/1087112394.db2.gz MZXMALZESUKRIB-BEFAXECRSA-N 0 3 312.457 3.334 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@H](C)C(C)C)[C@H](OC)C1 ZINC001212016007 1087137871 /nfs/dbraw/zinc/13/78/71/1087137871.db2.gz WFTNNUHDZQFRIE-RCCFBDPRSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001482859378 1087173996 /nfs/dbraw/zinc/17/39/96/1087173996.db2.gz JFMAEQFJNOIUFP-CYBMUJFWSA-N 0 3 319.836 3.327 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1nc(C)sc1C ZINC001482867213 1087175683 /nfs/dbraw/zinc/17/56/83/1087175683.db2.gz FVWUPRXVEXCDPW-YVEFUNNKSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cc(C)cc(C)c1 ZINC001482869187 1087177306 /nfs/dbraw/zinc/17/73/06/1087177306.db2.gz VPVVMOCYCGBAQK-OAHLLOKOSA-N 0 3 308.853 3.083 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2cc(F)ccc2C)C1 ZINC001482947151 1087197973 /nfs/dbraw/zinc/19/79/73/1087197973.db2.gz JAIRDQVUHHYLIX-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C(CC)(CC)c1ccccc1 ZINC001482969276 1087203614 /nfs/dbraw/zinc/20/36/14/1087203614.db2.gz JVAKBCOSQCXYNL-UHFFFAOYSA-N 0 3 314.473 3.206 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2ccccc2n1CC ZINC001272178862 1087231803 /nfs/dbraw/zinc/23/18/03/1087231803.db2.gz RXNVBWZMPXJLKN-UHFFFAOYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2nc(C(C)(C)C)cs2)[C@H]1C ZINC001088637569 1087241333 /nfs/dbraw/zinc/24/13/33/1087241333.db2.gz OUHWCGFZVFBUKH-OLZOCXBDSA-N 0 3 321.490 3.209 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3c2CCCCC3)[C@H]1C ZINC001088642735 1087242472 /nfs/dbraw/zinc/24/24/72/1087242472.db2.gz VVMQFVLDXSJOPL-UZLBHIALSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cn(CC)c3ccccc23)[C@H]1C ZINC001088724655 1087324418 /nfs/dbraw/zinc/32/44/18/1087324418.db2.gz QUKZGQQYKLSUBE-PBHICJAKSA-N 0 3 311.429 3.040 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC001088730546 1087325624 /nfs/dbraw/zinc/32/56/24/1087325624.db2.gz HGCFPAOHDUYKMD-QAPCUYQASA-N 0 3 300.446 3.408 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001483076985 1087332646 /nfs/dbraw/zinc/33/26/46/1087332646.db2.gz OYXHONDDGZIPRV-LGZALOBFSA-N 0 3 313.445 3.002 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001483076981 1087332968 /nfs/dbraw/zinc/33/29/68/1087332968.db2.gz OYXHONDDGZIPRV-DKLOGILVSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@H]1C ZINC001088789564 1087355133 /nfs/dbraw/zinc/35/51/33/1087355133.db2.gz VJSJPCNSNLSBGJ-ZBFHGGJFSA-N 0 3 304.409 3.211 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3ccsc3c2)[C@H]1C ZINC001088792477 1087357751 /nfs/dbraw/zinc/35/77/51/1087357751.db2.gz PRRLNQCJZWAYFL-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483114931 1087358114 /nfs/dbraw/zinc/35/81/14/1087358114.db2.gz UYOKTGHTDKYFSA-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@H]1C ZINC001088809228 1087370473 /nfs/dbraw/zinc/37/04/73/1087370473.db2.gz KLXSYFPFWVZLDG-WBVHZDCISA-N 0 3 303.450 3.146 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001483131795 1087395028 /nfs/dbraw/zinc/39/50/28/1087395028.db2.gz LJXLBPSVXHUSNC-CQSZACIVSA-N 0 3 300.402 3.383 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1CCCCC1 ZINC001483304679 1087463704 /nfs/dbraw/zinc/46/37/04/1087463704.db2.gz RHJMOMJSZKBGBY-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483334340 1087474080 /nfs/dbraw/zinc/47/40/80/1087474080.db2.gz FJSWKEPPSKUWJY-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483342051 1087476582 /nfs/dbraw/zinc/47/65/82/1087476582.db2.gz IQGCRYAUIALYKL-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)COC2 ZINC001483378617 1087485840 /nfs/dbraw/zinc/48/58/40/1087485840.db2.gz OKDLZKKCLGOIRC-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001483405027 1087493073 /nfs/dbraw/zinc/49/30/73/1087493073.db2.gz GDPXXXKWMKLIJT-UONOGXRCSA-N 0 3 300.402 3.159 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(c2cccc(F)c2)CC1 ZINC001483496811 1087515094 /nfs/dbraw/zinc/51/50/94/1087515094.db2.gz ZTABPGGQTGUHPU-UHFFFAOYSA-N 0 3 324.827 3.048 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC(F)F)C1 ZINC001103241712 1087538144 /nfs/dbraw/zinc/53/81/44/1087538144.db2.gz UBZXUEVHTGYTPB-NQBHXWOUSA-N 0 3 322.827 3.104 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@H]1C ZINC001088879715 1087595276 /nfs/dbraw/zinc/59/52/76/1087595276.db2.gz INFBNQBWPMGRPQ-VQHPVUNQSA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1C ZINC001088885736 1087597529 /nfs/dbraw/zinc/59/75/29/1087597529.db2.gz MNDFQIAOYMGQAR-JZXOWHBKSA-N 0 3 300.446 3.254 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001483649160 1087603447 /nfs/dbraw/zinc/60/34/47/1087603447.db2.gz JMSBFNJVZXTNQV-HKUYNNGSSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001483667874 1087615271 /nfs/dbraw/zinc/61/52/71/1087615271.db2.gz ALWMTGXUCFLTKR-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)[C@H]1C ZINC001088995672 1087617311 /nfs/dbraw/zinc/61/73/11/1087617311.db2.gz DVNZNBRZMHPKEM-AYBZRNKSSA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)[C@H]1C ZINC001089013569 1087620012 /nfs/dbraw/zinc/62/00/12/1087620012.db2.gz ZUPHIVXXCPJPEF-LTDKPHRXSA-N 0 3 304.478 3.358 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001483675102 1087629946 /nfs/dbraw/zinc/62/99/46/1087629946.db2.gz XLNILVLVAXCHJR-KBPBESRZSA-N 0 3 314.420 3.357 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001483677509 1087634331 /nfs/dbraw/zinc/63/43/31/1087634331.db2.gz KUQPASQERHGUKL-ICSRJNTNSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001483677510 1087634484 /nfs/dbraw/zinc/63/44/84/1087634484.db2.gz KUQPASQERHGUKL-QUCCMNQESA-N 0 3 314.473 3.412 20 30 DGEDHN CCC[C@@H](C)CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272431749 1087702027 /nfs/dbraw/zinc/70/20/27/1087702027.db2.gz MTRLUYDXSRNQKD-SJLPKXTDSA-N 0 3 305.466 3.183 20 30 DGEDHN CCCCCCCN1CCCC[C@]12CC(=O)N(CCOCC)C2 ZINC001272475862 1087717772 /nfs/dbraw/zinc/71/77/72/1087717772.db2.gz DULAQGNPEIHDMD-LJQANCHMSA-N 0 3 324.509 3.450 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1cccc(C)c1 ZINC001158301165 1087767481 /nfs/dbraw/zinc/76/74/81/1087767481.db2.gz ZEAXNAMNHVTPAT-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C=C)CC ZINC001158376841 1087799075 /nfs/dbraw/zinc/79/90/75/1087799075.db2.gz CPVHSSLOVLCSIZ-QZTJIDSGSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)CCOC1CCC1 ZINC001158419718 1087826599 /nfs/dbraw/zinc/82/65/99/1087826599.db2.gz YFAOBKFHNSINEY-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)c(F)c1 ZINC001151925513 1087833502 /nfs/dbraw/zinc/83/35/02/1087833502.db2.gz RQAHQYQOKIDICZ-CQSZACIVSA-N 0 3 319.424 3.214 20 30 DGEDHN Cc1cc(C#N)c(N(C2CCCC2)C2CCN(C)CC2)nc1C ZINC001158487813 1087859128 /nfs/dbraw/zinc/85/91/28/1087859128.db2.gz DLDCTVMLZBPMQX-UHFFFAOYSA-N 0 3 312.461 3.413 20 30 DGEDHN CN1CCC(N(c2nc3c(cc2C#N)CCC3)C2CCCC2)CC1 ZINC001158487649 1087861660 /nfs/dbraw/zinc/86/16/60/1087861660.db2.gz KYVWONJTJFVXQP-UHFFFAOYSA-N 0 3 324.472 3.285 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cccc(F)c1F ZINC001158522135 1087892883 /nfs/dbraw/zinc/89/28/83/1087892883.db2.gz MZIWVGKOAOFNQB-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000176534718 1087896097 /nfs/dbraw/zinc/89/60/97/1087896097.db2.gz GJGKYSIKBQEAGY-LLVKDONJSA-N 0 3 308.740 3.483 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1ccc(C)o1 ZINC001158565139 1087918261 /nfs/dbraw/zinc/91/82/61/1087918261.db2.gz JQIRRDVDTZPLNB-HZPDHXFCSA-N 0 3 304.434 3.190 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(OC)c(F)c1 ZINC001152346372 1087957549 /nfs/dbraw/zinc/95/75/49/1087957549.db2.gz UMGKJUOSZHLYQC-CQSZACIVSA-N 0 3 322.424 3.127 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(CC(C)C)c[nH]1 ZINC001158744304 1088001163 /nfs/dbraw/zinc/00/11/63/1088001163.db2.gz HHEVCAXOYYCFJZ-QGZVFWFLSA-N 0 3 317.477 3.326 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(C)oc2ccccc21 ZINC001158755065 1088008948 /nfs/dbraw/zinc/00/89/48/1088008948.db2.gz LUQHCBDTFFVNSV-UHFFFAOYSA-N 0 3 306.793 3.203 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3cccc(F)c3Cl)C2)C1=O ZINC001272608249 1088131896 /nfs/dbraw/zinc/13/18/96/1088131896.db2.gz NAPWIYNBLGQEHR-KRWDZBQOSA-N 0 3 322.811 3.090 20 30 DGEDHN C#CCC1(C(=O)NCCNCc2csc(C)c2)CCCCC1 ZINC001153009932 1088139143 /nfs/dbraw/zinc/13/91/43/1088139143.db2.gz ZJFGPYMHTKGBLT-UHFFFAOYSA-N 0 3 318.486 3.236 20 30 DGEDHN CCOC(=O)c1sc(SC)c(C#N)c1NC1=CNCCC1 ZINC001159135284 1088195321 /nfs/dbraw/zinc/19/53/21/1088195321.db2.gz RHSJYRMVXGOQRJ-UHFFFAOYSA-N 0 3 323.443 3.155 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CCC2CCCC2)CC1 ZINC001159137593 1088198879 /nfs/dbraw/zinc/19/88/79/1088198879.db2.gz PSVFXFHQVLQWKQ-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN C[C@@H]1CCCC[C@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001153253474 1088202774 /nfs/dbraw/zinc/20/27/74/1088202774.db2.gz LPSGLTZLAFFLCS-KGLIPLIRSA-N 0 3 319.474 3.042 20 30 DGEDHN Cc1cccc2nc(Cl)c(C#N)c(NCC3CN(C)C3)c12 ZINC001159223119 1088240614 /nfs/dbraw/zinc/24/06/14/1088240614.db2.gz XHXBQRSQIMTZOZ-UHFFFAOYSA-N 0 3 300.793 3.042 20 30 DGEDHN Cc1cccc(C(=O)N[C@H](C)CCNCc2ccccc2C#N)c1 ZINC001272630220 1088345826 /nfs/dbraw/zinc/34/58/26/1088345826.db2.gz SRDPPADRQRLNSS-MRXNPFEDSA-N 0 3 321.424 3.165 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(F)c2ccccc2c1 ZINC001159440019 1088349534 /nfs/dbraw/zinc/34/95/34/1088349534.db2.gz DKUVURLVZFOUIL-UHFFFAOYSA-N 0 3 320.795 3.441 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1coc2c1cccc2C ZINC001153844108 1088385454 /nfs/dbraw/zinc/38/54/54/1088385454.db2.gz SFYJFEFYPIDYQU-OAHLLOKOSA-N 0 3 312.413 3.205 20 30 DGEDHN Cc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ccc1C#N ZINC001159596254 1088411269 /nfs/dbraw/zinc/41/12/69/1088411269.db2.gz VHFYWDROCCDGER-LBPRGKRZSA-N 0 3 303.369 3.134 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C(C)=C2CCCC2)CC1 ZINC001159819402 1088505334 /nfs/dbraw/zinc/50/53/34/1088505334.db2.gz AVHHAKJRCYYOEX-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2sccc2Cl)CC(C)(C)C1 ZINC001089392928 1088561514 /nfs/dbraw/zinc/56/15/14/1088561514.db2.gz ZGQQDHSPOGDDGL-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)CC(C)(C)C1 ZINC001089416770 1088583316 /nfs/dbraw/zinc/58/33/16/1088583316.db2.gz PKAMVIWLEKHUIH-QZTJIDSGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC001160120518 1088648164 /nfs/dbraw/zinc/64/81/64/1088648164.db2.gz NIEZAOSMNIMUIL-HOCLYGCPSA-N 0 3 314.429 3.341 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089473616 1088666817 /nfs/dbraw/zinc/66/68/17/1088666817.db2.gz ZXYKETYJKMDCAS-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccsc2)CC(C)(C)C1 ZINC001089491508 1088684853 /nfs/dbraw/zinc/68/48/53/1088684853.db2.gz ODNVXUHWMICVPJ-ZBFHGGJFSA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)CC(C)(C)C1 ZINC001089509950 1088707537 /nfs/dbraw/zinc/70/75/37/1088707537.db2.gz KXYHBQBLEKRDOQ-CYBMUJFWSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001089566526 1088754066 /nfs/dbraw/zinc/75/40/66/1088754066.db2.gz NULGBXNMIXRVKT-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001089605061 1088807693 /nfs/dbraw/zinc/80/76/93/1088807693.db2.gz KSSJJWYQYRJQQA-INIZCTEOSA-N 0 3 316.445 3.140 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001272675816 1088825874 /nfs/dbraw/zinc/82/58/74/1088825874.db2.gz RWFOTCLUTVUZIQ-RTBURBONSA-N 0 3 312.457 3.050 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC001160492462 1088833038 /nfs/dbraw/zinc/83/30/38/1088833038.db2.gz UBWYVFKHJRSKEW-FQEVSTJZSA-N 0 3 324.468 3.431 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(CC)s2)CC1 ZINC001160613084 1088892219 /nfs/dbraw/zinc/89/22/19/1088892219.db2.gz GPEADUITYNKXOI-UHFFFAOYSA-N 0 3 316.470 3.086 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001483832688 1088936308 /nfs/dbraw/zinc/93/63/08/1088936308.db2.gz MQBQJDPRLJOGGH-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN(Cc3cccc(C)c3C)CC2)C1=O ZINC001272679035 1088983100 /nfs/dbraw/zinc/98/31/00/1088983100.db2.gz WVRXLUNYAJLNHL-NRFANRHFSA-N 0 3 324.468 3.141 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C\c1ccc(F)cc1 ZINC001160838301 1088987749 /nfs/dbraw/zinc/98/77/49/1088987749.db2.gz IQYCZPPIPYGPGO-RQOWECAXSA-N 0 3 310.800 3.077 20 30 DGEDHN CCCN(CCC)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001155182001 1088993838 /nfs/dbraw/zinc/99/38/38/1088993838.db2.gz BLRRKDHJBOYKMQ-ZDUSSCGKSA-N 0 3 318.421 3.052 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccn(C(C)C)c2C)CC1 ZINC001160980368 1089058268 /nfs/dbraw/zinc/05/82/68/1089058268.db2.gz WREYBLXSZKEPBT-UHFFFAOYSA-N 0 3 315.461 3.315 20 30 DGEDHN C#CCN(C(=O)C1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC001483977872 1089063832 /nfs/dbraw/zinc/06/38/32/1089063832.db2.gz HHRNTPNGMNMUNE-UHFFFAOYSA-N 0 3 324.468 3.303 20 30 DGEDHN C#CCN(C(=O)c1ccc(Cl)o1)C1CCN(CC(=C)C)CC1 ZINC001483980805 1089067125 /nfs/dbraw/zinc/06/71/25/1089067125.db2.gz OOWXAPGEQHJCAT-UHFFFAOYSA-N 0 3 320.820 3.049 20 30 DGEDHN C#CCN(C(=O)C1CCCCCCC1)C1CCN(CC=C)CC1 ZINC001483984046 1089068146 /nfs/dbraw/zinc/06/81/46/1089068146.db2.gz QEJNDRXXLSUCBO-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@H]1C(C)C)C1CCN(CC=C(C)C)CC1 ZINC001483988501 1089072922 /nfs/dbraw/zinc/07/29/22/1089072922.db2.gz CWMRTXUNCQWWBC-RBUKOAKNSA-N 0 3 316.489 3.171 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001089668156 1089075442 /nfs/dbraw/zinc/07/54/42/1089075442.db2.gz RHMVVZLIYSEFRZ-AWEZNQCLSA-N 0 3 323.868 3.085 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001483994925 1089082386 /nfs/dbraw/zinc/08/23/86/1089082386.db2.gz FSDBMJLHXQADAY-FCWSUFITSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)Cc2cc(C)ccc2C)CC1 ZINC001161102147 1089117562 /nfs/dbraw/zinc/11/75/62/1089117562.db2.gz VICPXWRHRBGADL-UHFFFAOYSA-N 0 3 324.468 3.008 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)CN2CC(=C)C)cc1 ZINC001089678118 1089123118 /nfs/dbraw/zinc/12/31/18/1089123118.db2.gz MGGHROKRBJNLAB-IBGZPJMESA-N 0 3 324.468 3.464 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2cc(F)ccc2o1 ZINC001155553524 1089159381 /nfs/dbraw/zinc/15/93/81/1089159381.db2.gz PASBYBBSJSWIDU-CYBMUJFWSA-N 0 3 316.376 3.035 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001089685650 1089162866 /nfs/dbraw/zinc/16/28/66/1089162866.db2.gz FZGLZHXAGXIYBY-OAHLLOKOSA-N 0 3 304.434 3.385 20 30 DGEDHN N#Cc1ccc2ccnc(N[C@@H]3CNCc4ccsc43)c2c1 ZINC001155560697 1089163545 /nfs/dbraw/zinc/16/35/45/1089163545.db2.gz IKVLOXPKPKKUTK-OAHLLOKOSA-N 0 3 306.394 3.424 20 30 DGEDHN CCC(CC)(CC)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001493744393 1089165709 /nfs/dbraw/zinc/16/57/09/1089165709.db2.gz OJUWRPUIXDFVDZ-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN N#Cc1cc(N[C@H]2CNCc3ccsc32)nc2ccccc12 ZINC001155564840 1089166495 /nfs/dbraw/zinc/16/64/95/1089166495.db2.gz ISACBMIQJMOSAB-HNNXBMFYSA-N 0 3 306.394 3.424 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1occc1CC ZINC001089689845 1089176263 /nfs/dbraw/zinc/17/62/63/1089176263.db2.gz JVFHECAYRJVLKF-INIZCTEOSA-N 0 3 316.445 3.086 20 30 DGEDHN C=CCCC(=O)NCCCNCc1nc(C)c(C(C)(C)C)s1 ZINC001155586713 1089176536 /nfs/dbraw/zinc/17/65/36/1089176536.db2.gz GXTAEXAJRJEFGK-UHFFFAOYSA-N 0 3 323.506 3.311 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001155601789 1089179815 /nfs/dbraw/zinc/17/98/15/1089179815.db2.gz LEUYCYXEPXTGLX-AEFFLSMTSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C)cc2F)CC1 ZINC001161314324 1089186717 /nfs/dbraw/zinc/18/67/17/1089186717.db2.gz VMFKAXDMOYCLFJ-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC001161369919 1089214647 /nfs/dbraw/zinc/21/46/47/1089214647.db2.gz SLFKNGTWKGCSLY-GOSISDBHSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(C)CCC(=O)NCC1(C)CCN(Cc2cccnc2)CC1 ZINC001484136963 1089215814 /nfs/dbraw/zinc/21/58/14/1089215814.db2.gz IDXBUJHCUZMBJY-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001161425854 1089237731 /nfs/dbraw/zinc/23/77/31/1089237731.db2.gz COTBPVOYKRTFNF-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001484179678 1089268663 /nfs/dbraw/zinc/26/86/63/1089268663.db2.gz XYBNEYRDCALVQP-SFHVURJKSA-N 0 3 306.494 3.463 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001484198079 1089287183 /nfs/dbraw/zinc/28/71/83/1089287183.db2.gz FVMLUCOKOHGZKL-UKRRQHHQSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001089718267 1089292378 /nfs/dbraw/zinc/29/23/78/1089292378.db2.gz MUVARXBXWKPCFJ-HOTGVXAUSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](CC)CC(C)C)CC1 ZINC001161655588 1089332712 /nfs/dbraw/zinc/33/27/12/1089332712.db2.gz LOKXVXLPXBOFSM-GOSISDBHSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3ccncc3c2)CC1 ZINC001161660263 1089334619 /nfs/dbraw/zinc/33/46/19/1089334619.db2.gz FZBGQKINTHYGMA-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@]1(C)C=CCC1)c1ccccc1CC ZINC001484325033 1089335978 /nfs/dbraw/zinc/33/59/78/1089335978.db2.gz XBCBXPMITDBPPT-FPOVZHCZSA-N 0 3 324.468 3.376 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)s2)c(F)c1 ZINC001161694410 1089352408 /nfs/dbraw/zinc/35/24/08/1089352408.db2.gz PJHDQXLZDXQKIG-UHFFFAOYSA-N 0 3 303.362 3.073 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC001161716057 1089365465 /nfs/dbraw/zinc/36/54/65/1089365465.db2.gz BUWHUNWMRYGQSX-UHFFFAOYSA-N 0 3 315.461 3.151 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC1(C)C ZINC001484400037 1089403704 /nfs/dbraw/zinc/40/37/04/1089403704.db2.gz GJWPAHOLBUHZGP-SFHVURJKSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C(F)F)o2)CC1 ZINC001161797165 1089407501 /nfs/dbraw/zinc/40/75/01/1089407501.db2.gz VTGUEKDGGHVWFD-UHFFFAOYSA-N 0 3 310.344 3.155 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC001161918647 1089468477 /nfs/dbraw/zinc/46/84/77/1089468477.db2.gz CVBFTWXWAUSBCF-SFHVURJKSA-N 0 3 324.468 3.260 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H](C)CC ZINC001484554564 1089487722 /nfs/dbraw/zinc/48/77/22/1089487722.db2.gz ZSPIREPRHQTYOO-INIZCTEOSA-N 0 3 300.446 3.194 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2=CCCCCC2)cc1 ZINC001484559989 1089494815 /nfs/dbraw/zinc/49/48/15/1089494815.db2.gz WMYMWOHGSPBANE-MRXNPFEDSA-N 0 3 310.441 3.477 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001161972557 1089503035 /nfs/dbraw/zinc/50/30/35/1089503035.db2.gz FWRFHEISEJFEJV-UHFFFAOYSA-N 0 3 304.478 3.383 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2coc3ccccc23)CC1 ZINC001162003127 1089519750 /nfs/dbraw/zinc/51/97/50/1089519750.db2.gz VFATXCIGSRAHNC-UHFFFAOYSA-N 0 3 322.408 3.208 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(c3ccccc3C)CC2)CC1 ZINC001162003121 1089519889 /nfs/dbraw/zinc/51/98/89/1089519889.db2.gz UXVQVYHEVJECOM-UHFFFAOYSA-N 0 3 324.468 3.351 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(F)c(C)c3)CC2)C1=O ZINC001272686195 1089533142 /nfs/dbraw/zinc/53/31/42/1089533142.db2.gz JFWUROXLLRWWLM-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN N#Cc1c(Cl)ccnc1-n1cncc1CNCc1ccccc1 ZINC001156482116 1089542565 /nfs/dbraw/zinc/54/25/65/1089542565.db2.gz HVTPGFQBCQOBPH-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN N#Cc1cnc(Cl)cc1-n1cncc1CNCc1ccccc1 ZINC001156482419 1089544708 /nfs/dbraw/zinc/54/47/08/1089544708.db2.gz KVLPEROXHJRBMY-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(Cl)c1Cl ZINC001156602295 1089606518 /nfs/dbraw/zinc/60/65/18/1089606518.db2.gz WKJLLDJJROLSLK-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CCCc2ccsc2)CC1 ZINC001484716086 1089608732 /nfs/dbraw/zinc/60/87/32/1089608732.db2.gz CDZJYYPQLQNRFH-KRWDZBQOSA-N 0 3 318.486 3.065 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001484766215 1089677468 /nfs/dbraw/zinc/67/74/68/1089677468.db2.gz KABFHONBBDTVQQ-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1ccccc1 ZINC001156758164 1089679716 /nfs/dbraw/zinc/67/97/16/1089679716.db2.gz WAENKEFPVXGCKS-DLBZAZTESA-N 0 3 300.446 3.030 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001484823561 1089703406 /nfs/dbraw/zinc/70/34/06/1089703406.db2.gz UWALCWAFMMMAGT-KXBFYZLASA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@@H]3CC3(F)F)cc2C1 ZINC001484872979 1089714270 /nfs/dbraw/zinc/71/42/70/1089714270.db2.gz HLMSYSHJYRNRDF-INIZCTEOSA-N 0 3 320.383 3.240 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C(C)(C)C(F)F)cc2C1 ZINC001484875605 1089719737 /nfs/dbraw/zinc/71/97/37/1089719737.db2.gz LJAKLHHZXIEZCF-UHFFFAOYSA-N 0 3 322.399 3.486 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001484899956 1089728089 /nfs/dbraw/zinc/72/80/89/1089728089.db2.gz QDJWBBARKWKIPX-PKOBYXMFSA-N 0 3 324.468 3.077 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCCc2ccccc2)C(C)(C)C1 ZINC001484938109 1089765578 /nfs/dbraw/zinc/76/55/78/1089765578.db2.gz VGWSWBHBPQIOSR-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](CC)C(C)C)C(C)(C)C1 ZINC001484943390 1089776505 /nfs/dbraw/zinc/77/65/05/1089776505.db2.gz XZFKEWXYENIRNP-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCc1cc(C)ccc1C ZINC001157035431 1089794140 /nfs/dbraw/zinc/79/41/40/1089794140.db2.gz QTHMGNREZZHQJZ-GOSISDBHSA-N 0 3 314.473 3.086 20 30 DGEDHN CCCCCC(C)(C)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001157041116 1089796202 /nfs/dbraw/zinc/79/62/02/1089796202.db2.gz CORXHHCXECCKMK-QGZVFWFLSA-N 0 3 324.509 3.069 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC#CC)[C@@H](C)C2)CCCC1 ZINC001484987935 1089806661 /nfs/dbraw/zinc/80/66/61/1089806661.db2.gz MBVAPICOFNCLMA-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCC2CCCC2)C[C@@H]1C ZINC001484988454 1089808483 /nfs/dbraw/zinc/80/84/83/1089808483.db2.gz XDGWGBNLMHHGQO-WMZOPIPTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1cc(O)ccc1Cl ZINC001484996737 1089818170 /nfs/dbraw/zinc/81/81/70/1089818170.db2.gz LFUSCEZVXKJCDV-LBPRGKRZSA-N 0 3 324.852 3.242 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]([C@H]3CCN(CCF)C3)C2)CCC1 ZINC001485082445 1089941066 /nfs/dbraw/zinc/94/10/66/1089941066.db2.gz OUNXAPAZRVCYFA-IRXDYDNUSA-N 0 3 322.468 3.263 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc2nc(C#N)ccc2c1 ZINC001162777246 1089949886 /nfs/dbraw/zinc/94/98/86/1089949886.db2.gz OHVVODHWHJJEPO-LBPRGKRZSA-N 0 3 313.364 3.465 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001157477417 1089987695 /nfs/dbraw/zinc/98/76/95/1089987695.db2.gz TURXAGPMRIBICQ-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485155011 1089992163 /nfs/dbraw/zinc/99/21/63/1089992163.db2.gz ZWUKPSSOXYSLLN-CVEARBPZSA-N 0 3 316.420 3.016 20 30 DGEDHN C[C@H](CNC(=O)[C@H](C)C(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001485318081 1090098748 /nfs/dbraw/zinc/09/87/48/1090098748.db2.gz CUMOFMCFYYUQAZ-CABCVRRESA-N 0 3 315.461 3.177 20 30 DGEDHN C[C@H](CNC(=O)[C@@H](C)C(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001485318083 1090099022 /nfs/dbraw/zinc/09/90/22/1090099022.db2.gz CUMOFMCFYYUQAZ-HUUCEWRRSA-N 0 3 315.461 3.177 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485306165 1090101924 /nfs/dbraw/zinc/10/19/24/1090101924.db2.gz JJJSJDNGLODTHI-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)ccc1C1CC1 ZINC001163178951 1090103264 /nfs/dbraw/zinc/10/32/64/1090103264.db2.gz IFSYORHANXUBBL-UHFFFAOYSA-N 0 3 306.837 3.334 20 30 DGEDHN CCCC1(C(=O)NC[C@@H](C)N(C)Cc2cccc(C#N)c2)CC1 ZINC001485349323 1090119168 /nfs/dbraw/zinc/11/91/68/1090119168.db2.gz JPNMQEHLAHXQDZ-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001157902845 1090147488 /nfs/dbraw/zinc/14/74/88/1090147488.db2.gz PGRWOCQISCERJR-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCCC[C@@H]1CN(C)CC=C ZINC001157951161 1090156085 /nfs/dbraw/zinc/15/60/85/1090156085.db2.gz QYENEDPLNIRZGV-GOSISDBHSA-N 0 3 322.493 3.248 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CCCC)CNCc2cccnc2)C1 ZINC001485468268 1090168886 /nfs/dbraw/zinc/16/88/86/1090168886.db2.gz JJIVJSSJMHJZDT-QGZVFWFLSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CC(F)F ZINC001158067197 1090180796 /nfs/dbraw/zinc/18/07/96/1090180796.db2.gz XAXYRHALSVTTPG-UONOGXRCSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)c1ccncc1 ZINC001158128736 1090188894 /nfs/dbraw/zinc/18/88/94/1090188894.db2.gz IQFARSNMXFPCRT-FUHWJXTLSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001485528798 1090198204 /nfs/dbraw/zinc/19/82/04/1090198204.db2.gz MBKLKZNVDCPSPX-MRXNPFEDSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(CC)s1 ZINC001158212247 1090202384 /nfs/dbraw/zinc/20/23/84/1090202384.db2.gz GSDXFQWRSAFOFT-CQSZACIVSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C/C=C\Cc2ccccc2)C(C)(C)C1 ZINC001485570461 1090211906 /nfs/dbraw/zinc/21/19/06/1090211906.db2.gz DYJYXWKCMOBSCB-CNZFZVQHSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001485563032 1090212996 /nfs/dbraw/zinc/21/29/96/1090212996.db2.gz GCINHQQWDMCLPF-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccc(C)s2)C(C)(C)C1 ZINC001485584225 1090219480 /nfs/dbraw/zinc/21/94/80/1090219480.db2.gz RAJFJIDEIDEXSS-INIZCTEOSA-N 0 3 320.502 3.392 20 30 DGEDHN CN(C)Cc1ccc(NC(=N)c2ccc(C(F)(F)F)cc2)nc1 ZINC001163680703 1090231637 /nfs/dbraw/zinc/23/16/37/1090231637.db2.gz WOROIEYQVFECKK-UHFFFAOYSA-N 0 3 322.334 3.199 20 30 DGEDHN Cc1c(NC(=N)c2ccc(C(F)(F)F)cc2)cccc1C(N)=O ZINC001163683352 1090233004 /nfs/dbraw/zinc/23/30/04/1090233004.db2.gz AWMGKOYYVROSTA-UHFFFAOYSA-N 0 3 321.302 3.150 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001485712422 1090252226 /nfs/dbraw/zinc/25/22/26/1090252226.db2.gz ZCSUECWLYUPTFG-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccn(CC)c1C ZINC001485735127 1090254009 /nfs/dbraw/zinc/25/40/09/1090254009.db2.gz CZLOLRYPLAPLKT-ZDUSSCGKSA-N 0 3 311.857 3.057 20 30 DGEDHN C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)C(F)F ZINC001485768774 1090275051 /nfs/dbraw/zinc/27/50/51/1090275051.db2.gz AJCKWQYHLKKZLW-UHFFFAOYSA-N 0 3 316.779 3.013 20 30 DGEDHN CN(C)/C=N/c1ccc(NC[C@H]2Cc3ccccc3O2)cc1C#N ZINC001163867258 1090277075 /nfs/dbraw/zinc/27/70/75/1090277075.db2.gz WMBHZWWORNFULJ-NEIHUHTASA-N 0 3 320.396 3.195 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001163964392 1090301431 /nfs/dbraw/zinc/30/14/31/1090301431.db2.gz ZYAKFPOYOXIPPY-LBPRGKRZSA-N 0 3 310.388 3.334 20 30 DGEDHN CC(C)(C)CCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001124782361 1090326977 /nfs/dbraw/zinc/32/69/77/1090326977.db2.gz JMLCYOSEIUFYSP-UHFFFAOYSA-N 0 3 307.463 3.042 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2c[nH]c3ccc(C)cc23)C1=O ZINC001272731732 1090335647 /nfs/dbraw/zinc/33/56/47/1090335647.db2.gz RRXGEDVFUAPPCA-FQEVSTJZSA-N 0 3 323.440 3.229 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C1(N(C)C)CCCC1 ZINC001299259981 1090378486 /nfs/dbraw/zinc/37/84/86/1090378486.db2.gz PTIOHOSBOIWVKL-QGZVFWFLSA-N 0 3 300.446 3.164 20 30 DGEDHN CCCC(=O)NC[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC001107261892 1090404893 /nfs/dbraw/zinc/40/48/93/1090404893.db2.gz ZOYMLZSMAFBGOM-TZIWHRDSSA-N 0 3 324.468 3.199 20 30 DGEDHN CC(C)[Si](C#CNCC(=O)N1CCCC1)(C(C)C)C(C)C ZINC001164577390 1090443713 /nfs/dbraw/zinc/44/37/13/1090443713.db2.gz YPMDZZZLEQBISS-UHFFFAOYSA-N 0 3 308.542 3.377 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001164623296 1090449603 /nfs/dbraw/zinc/44/96/03/1090449603.db2.gz WRSCMCCZTLWRLC-UKRRQHHQSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@H](C)CCC)C[C@@H](C)O2 ZINC001111539429 1090454784 /nfs/dbraw/zinc/45/47/84/1090454784.db2.gz ZDBSEOYFBHKVBA-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107524282 1090455837 /nfs/dbraw/zinc/45/58/37/1090455837.db2.gz QNZIHRNHSFNJBF-ZTYGBSLESA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107742023 1090495675 /nfs/dbraw/zinc/49/56/75/1090495675.db2.gz WPFYKAZODZXMII-SJLPKXTDSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCNc1nnc(SCCN2C[C@H](C)C[C@@H](C)C2)s1 ZINC001165421856 1090518954 /nfs/dbraw/zinc/51/89/54/1090518954.db2.gz IFDAVIJLDAQAPM-VXGBXAGGSA-N 0 3 312.508 3.206 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864727 1090520439 /nfs/dbraw/zinc/52/04/39/1090520439.db2.gz YXRITEUYLMQAIY-VQIMIIECSA-N 0 3 322.493 3.295 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001165535470 1090528841 /nfs/dbraw/zinc/52/88/41/1090528841.db2.gz NGQSBQUCVOKHKX-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=CCCCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001165560149 1090530907 /nfs/dbraw/zinc/53/09/07/1090530907.db2.gz QGMHDLJNKSAWBG-ZDUSSCGKSA-N 0 3 310.388 3.478 20 30 DGEDHN CCCC(C)(C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001165581485 1090532000 /nfs/dbraw/zinc/53/20/00/1090532000.db2.gz BZNLNUZBIZZWII-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969526 1090590627 /nfs/dbraw/zinc/59/06/27/1090590627.db2.gz PBDOSTXYEOZSCA-QFBILLFUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCNCc2cccc(F)c2Cl)C1 ZINC001166239343 1090592016 /nfs/dbraw/zinc/59/20/16/1090592016.db2.gz RNUOOHCGECKUSP-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001107970573 1090592941 /nfs/dbraw/zinc/59/29/41/1090592941.db2.gz CQMSGNKQWJJYGC-LJQANCHMSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc[nH]c2CCC)CC1 ZINC001166769964 1090654474 /nfs/dbraw/zinc/65/44/74/1090654474.db2.gz IJZQESYUVCGVGA-UHFFFAOYSA-N 0 3 323.868 3.209 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccn(CC)c2C)CC1 ZINC001166781110 1090656019 /nfs/dbraw/zinc/65/60/19/1090656019.db2.gz DTUUBMABGCDGGS-UHFFFAOYSA-N 0 3 323.868 3.059 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001166875844 1090670955 /nfs/dbraw/zinc/67/09/55/1090670955.db2.gz MGQIHIWGFSVTPI-DZGCQCFKSA-N 0 3 312.885 3.441 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)cc1 ZINC001272907573 1090676844 /nfs/dbraw/zinc/67/68/44/1090676844.db2.gz IAQUFFZZBNZOFP-RTBURBONSA-N 0 3 323.440 3.066 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001167044276 1090702030 /nfs/dbraw/zinc/70/20/30/1090702030.db2.gz KBCKHCIWPKVINJ-HUUCEWRRSA-N 0 3 312.885 3.441 20 30 DGEDHN N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932005 1090702674 /nfs/dbraw/zinc/70/26/74/1090702674.db2.gz HNIWQHMPEZCMSQ-KRWDZBQOSA-N 0 3 317.458 3.009 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001485868364 1090713144 /nfs/dbraw/zinc/71/31/44/1090713144.db2.gz KSJNYOVOKYYVPZ-ZDUSSCGKSA-N 0 3 324.827 3.219 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001485868664 1090713535 /nfs/dbraw/zinc/71/35/35/1090713535.db2.gz NROWPRMFZDCJDY-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN CC(C)(C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001203631145 1090769316 /nfs/dbraw/zinc/76/93/16/1090769316.db2.gz KVTGESFGKSFYLY-MSOLQXFVSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H]1C ZINC001486175079 1090775769 /nfs/dbraw/zinc/77/57/69/1090775769.db2.gz BMTSHIKOYGEHSM-FUHWJXTLSA-N 0 3 300.446 3.083 20 30 DGEDHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cccc(C#N)c2)o1 ZINC001203756869 1090797417 /nfs/dbraw/zinc/79/74/17/1090797417.db2.gz FAKZHLVHWUOKPY-UXHICEINSA-N 0 3 321.424 3.309 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(CC)s1)C(C)C ZINC001486372243 1090811590 /nfs/dbraw/zinc/81/15/90/1090811590.db2.gz VPGWNVOBHYWSPE-UHFFFAOYSA-N 0 3 306.475 3.116 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC001203822667 1090813166 /nfs/dbraw/zinc/81/31/66/1090813166.db2.gz YCQKZDYYAIEWGO-RTBURBONSA-N 0 3 317.429 3.021 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC001203899788 1090833137 /nfs/dbraw/zinc/83/31/37/1090833137.db2.gz BNOIRWOLNIHGSV-UHFFFAOYSA-N 0 3 317.392 3.044 20 30 DGEDHN N#Cc1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC001203904165 1090834320 /nfs/dbraw/zinc/83/43/20/1090834320.db2.gz ZYLUNBBANVNBGT-UHFFFAOYSA-N 0 3 310.372 3.181 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2cccs2)C1 ZINC001486482503 1090853826 /nfs/dbraw/zinc/85/38/26/1090853826.db2.gz GNHOWZHTCPFUTI-UHFFFAOYSA-N 0 3 312.866 3.012 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CN(Cc3cccc(C)c3)C2)C1 ZINC001276433466 1090859881 /nfs/dbraw/zinc/85/98/81/1090859881.db2.gz VLCMUWGDIRAOFA-INIZCTEOSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC001486522077 1090867487 /nfs/dbraw/zinc/86/74/87/1090867487.db2.gz VVPXFTXRMIHCNP-QGZVFWFLSA-N 0 3 312.457 3.108 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279576 1090939269 /nfs/dbraw/zinc/93/92/69/1090939269.db2.gz BNJMYCKJEFQVFW-QGZVFWFLSA-N 0 3 324.380 3.013 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279576 1090939271 /nfs/dbraw/zinc/93/92/71/1090939271.db2.gz BNJMYCKJEFQVFW-QGZVFWFLSA-N 0 3 324.380 3.013 20 30 DGEDHN C=CCOc1ccc(CN2CCC(N(CC)C(C)=O)CC2)cc1 ZINC001204302488 1090943981 /nfs/dbraw/zinc/94/39/81/1090943981.db2.gz KHICJRKSVMTYBO-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3ccc(C)cc3)CC2)C1=O ZINC001272971327 1090944196 /nfs/dbraw/zinc/94/41/96/1090944196.db2.gz GUZZSDSAURSRMC-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](C(=O)OCCCC)C2)cc1 ZINC001204302590 1090944200 /nfs/dbraw/zinc/94/42/00/1090944200.db2.gz OIVOCQXIQXGKPO-KRWDZBQOSA-N 0 3 317.429 3.417 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(N4CCCC4)cc3)CCC2S1 ZINC001204327785 1090950807 /nfs/dbraw/zinc/95/08/07/1090950807.db2.gz ILHIAXGLNSADCQ-KRWDZBQOSA-N 0 3 314.454 3.061 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(N4CCCC4)cc3)CC[C@@H]2S1 ZINC001204327785 1090950809 /nfs/dbraw/zinc/95/08/09/1090950809.db2.gz ILHIAXGLNSADCQ-KRWDZBQOSA-N 0 3 314.454 3.061 20 30 DGEDHN C=C[C@@H](C(=O)N[C@H](C)C1CN(CC=C(C)C)C1)c1ccccc1 ZINC001276467456 1090976619 /nfs/dbraw/zinc/97/66/19/1090976619.db2.gz BCLVMKRVZGVYBI-VQIMIIECSA-N 0 3 312.457 3.359 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccsc3C#N)cc2)CC1 ZINC001204733533 1091025297 /nfs/dbraw/zinc/02/52/97/1091025297.db2.gz BLSLXLJONBZMHG-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3cccc(C#N)c3F)cc2)CC1 ZINC001204746667 1091028282 /nfs/dbraw/zinc/02/82/82/1091028282.db2.gz AIWKTNUXXCIKAI-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3cc(F)ccc3C#N)cc2)CC1 ZINC001204751382 1091029078 /nfs/dbraw/zinc/02/90/78/1091029078.db2.gz RNQZJRUVDIKFIO-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN Cc1cc(Nc2ccc(CN3CCN(C)CC3)cc2)ccc1C#N ZINC001204758227 1091031612 /nfs/dbraw/zinc/03/16/12/1091031612.db2.gz ATLKHGIQAMTDEE-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108104988 1091069427 /nfs/dbraw/zinc/06/94/27/1091069427.db2.gz QJMRRJFLQMODAH-VQIMIIECSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108136067 1091129532 /nfs/dbraw/zinc/12/95/32/1091129532.db2.gz OOSIGGFVIPDLDX-IMGYXXHVSA-N 0 3 320.477 3.071 20 30 DGEDHN C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)C(C)(C)F ZINC001168758304 1091173083 /nfs/dbraw/zinc/17/30/83/1091173083.db2.gz DNWJEPULLVFCHW-AWEZNQCLSA-N 0 3 319.424 3.071 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cccs1 ZINC001098854890 1091181089 /nfs/dbraw/zinc/18/10/89/1091181089.db2.gz CXXDDHCASGMEHD-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001205459443 1091227845 /nfs/dbraw/zinc/22/78/45/1091227845.db2.gz RPSZGPXNPWUNQJ-GOSISDBHSA-N 0 3 318.392 3.253 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@@H](Oc3cccnc3)C2)cc1 ZINC001138558674 1091228217 /nfs/dbraw/zinc/22/82/17/1091228217.db2.gz DPAXMXZOBVLUFZ-HXUWFJFHSA-N 0 3 322.408 3.137 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(c3nc(C)no3)CC2)c1[O-] ZINC001138628566 1091261706 /nfs/dbraw/zinc/26/17/06/1091261706.db2.gz XHJLMGJJXZKLLO-UHFFFAOYSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1[O-] ZINC001138629095 1091263641 /nfs/dbraw/zinc/26/36/41/1091263641.db2.gz NUCXQNOMVYCNCF-SFHVURJKSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1[O-] ZINC001138629095 1091263645 /nfs/dbraw/zinc/26/36/45/1091263645.db2.gz NUCXQNOMVYCNCF-SFHVURJKSA-N 0 3 310.397 3.169 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@](F)(CO)CC1 ZINC001138661942 1091278425 /nfs/dbraw/zinc/27/84/25/1091278425.db2.gz JPGPAXUNZBKGMX-GOSISDBHSA-N 0 3 307.409 3.328 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)OC)CC1 ZINC001139031037 1091425350 /nfs/dbraw/zinc/42/53/50/1091425350.db2.gz QCPJOEGMFNISRA-HNNXBMFYSA-N 0 3 303.402 3.027 20 30 DGEDHN N#C[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081295 1091440788 /nfs/dbraw/zinc/44/07/88/1091440788.db2.gz GCNNTKJBGUKXGZ-OAHLLOKOSA-N 0 3 308.385 3.395 20 30 DGEDHN N#CCC1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081074 1091440908 /nfs/dbraw/zinc/44/09/08/1091440908.db2.gz VJUUQRKOWOLZCE-UHFFFAOYSA-N 0 3 308.385 3.395 20 30 DGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139093743 1091446019 /nfs/dbraw/zinc/44/60/19/1091446019.db2.gz FOIDJGQCNZUOCU-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139093743 1091446024 /nfs/dbraw/zinc/44/60/24/1091446024.db2.gz FOIDJGQCNZUOCU-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139093743 1091446030 /nfs/dbraw/zinc/44/60/30/1091446030.db2.gz FOIDJGQCNZUOCU-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139093743 1091446038 /nfs/dbraw/zinc/44/60/38/1091446038.db2.gz FOIDJGQCNZUOCU-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001206100666 1091492178 /nfs/dbraw/zinc/49/21/78/1091492178.db2.gz RVLOHMLNCUKYRQ-UHFFFAOYSA-N 0 3 324.306 3.259 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001084577258 1091506139 /nfs/dbraw/zinc/50/61/39/1091506139.db2.gz HCSXJDKHDIFIEH-QZTJIDSGSA-N 0 3 312.457 3.240 20 30 DGEDHN CCCCCCCN(C)Cc1cnc(N2CCN(C)CC2)s1 ZINC001139324345 1091521343 /nfs/dbraw/zinc/52/13/43/1091521343.db2.gz XJXFQEITNQQXGS-UHFFFAOYSA-N 0 3 324.538 3.297 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084811949 1091577649 /nfs/dbraw/zinc/57/76/49/1091577649.db2.gz HAHGGPHZYDVPDB-BHIYHBOVSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C[C@@H]21 ZINC001084948208 1091623603 /nfs/dbraw/zinc/62/36/03/1091623603.db2.gz QHOGXQDBJUHXHZ-SQNIBIBYSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)COC1CCCC1 ZINC001098933470 1091631515 /nfs/dbraw/zinc/63/15/15/1091631515.db2.gz YDSKLVYVYJZXBL-MRXNPFEDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(C)c1F)CC2 ZINC001273257927 1091655312 /nfs/dbraw/zinc/65/53/12/1091655312.db2.gz SVCPPVXEOCUBMP-INIZCTEOSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001098943829 1091656891 /nfs/dbraw/zinc/65/68/91/1091656891.db2.gz CIXLOECATPEKMG-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/CC ZINC001098944245 1091656933 /nfs/dbraw/zinc/65/69/33/1091656933.db2.gz KFWIDAHQIPYRDI-BDBSJLECSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc(CC)cc2)C[C@H]1C ZINC001206537498 1091662359 /nfs/dbraw/zinc/66/23/59/1091662359.db2.gz VZJRJQLCXQKNAZ-CRAIPNDOSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCn1cc(CN2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC001139771117 1091668859 /nfs/dbraw/zinc/66/88/59/1091668859.db2.gz ONYXHZUZJJYTFG-UHFFFAOYSA-N 0 3 306.413 3.320 20 30 DGEDHN C=CCn1cc(CN(Cc2ccccc2)C2CCOCC2)cn1 ZINC001139773115 1091669537 /nfs/dbraw/zinc/66/95/37/1091669537.db2.gz YYRIJSGVOVAOGQ-UHFFFAOYSA-N 0 3 311.429 3.250 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cccs1 ZINC001085120126 1091681791 /nfs/dbraw/zinc/68/17/91/1091681791.db2.gz VFWLYYMNJBEBEI-ZIAGYGMSSA-N 0 3 312.866 3.060 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC)Cc1ccccc1 ZINC001139869603 1091695731 /nfs/dbraw/zinc/69/57/31/1091695731.db2.gz MSUIUAGRVFIOTF-SFHVURJKSA-N 0 3 302.462 3.222 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001085214389 1091716179 /nfs/dbraw/zinc/71/61/79/1091716179.db2.gz WMYCNPKMJOVOBQ-HZPDHXFCSA-N 0 3 306.837 3.054 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202985100 1091719075 /nfs/dbraw/zinc/71/90/75/1091719075.db2.gz BEOIADWEYZEKCL-GJZGRUSLSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202986493 1091720885 /nfs/dbraw/zinc/72/08/85/1091720885.db2.gz IYKCNWZTFDREAE-CABCVRRESA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC)o1 ZINC001085248033 1091725641 /nfs/dbraw/zinc/72/56/41/1091725641.db2.gz ORYPDDXDJBMYFV-ZIAGYGMSSA-N 0 3 310.825 3.225 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]cc1C1CC1 ZINC001085379070 1091759509 /nfs/dbraw/zinc/75/95/09/1091759509.db2.gz HIMLODYKJNUEFA-HZPDHXFCSA-N 0 3 321.852 3.275 20 30 DGEDHN CC#CC[C@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC001203000089 1091763046 /nfs/dbraw/zinc/76/30/46/1091763046.db2.gz GYSZADIWZVBMOA-CYBMUJFWSA-N 0 3 305.727 3.223 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H](Oc4ccccn4)C3)c2c1 ZINC001140116137 1091773632 /nfs/dbraw/zinc/77/36/32/1091773632.db2.gz SPXHMMPOLLKWRW-INIZCTEOSA-N 0 3 318.380 3.088 20 30 DGEDHN CCCC(=O)N1CCC[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001207056007 1091832709 /nfs/dbraw/zinc/83/27/09/1091832709.db2.gz QSEFWURYXXFXDW-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001085594630 1091846046 /nfs/dbraw/zinc/84/60/46/1091846046.db2.gz LMBSWRKTKYDXPG-AWEZNQCLSA-N 0 3 319.449 3.085 20 30 DGEDHN COc1cccc(CC2CCN(Cc3cc(C#N)n(C)c3)CC2)c1 ZINC001207109848 1091847984 /nfs/dbraw/zinc/84/79/84/1091847984.db2.gz XDLJXLYZLWBYHI-UHFFFAOYSA-N 0 3 323.440 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nsc2ccccc21 ZINC001085611032 1091852717 /nfs/dbraw/zinc/85/27/17/1091852717.db2.gz HIAGEJPKNTXPEI-CYBMUJFWSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001297380362 1091872351 /nfs/dbraw/zinc/87/23/51/1091872351.db2.gz XDCCHWWBJOIYEV-HNNXBMFYSA-N 0 3 306.425 3.286 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001316661953 1091872971 /nfs/dbraw/zinc/87/29/71/1091872971.db2.gz UTZAEOUVJXQJCP-VHDGCEQUSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc2ccccc21 ZINC001085707532 1091888531 /nfs/dbraw/zinc/88/85/31/1091888531.db2.gz MAVVJZAPFZHWAU-INIZCTEOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001085734330 1091902106 /nfs/dbraw/zinc/90/21/06/1091902106.db2.gz DUVQFTLHVIEFQO-QGZVFWFLSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085748177 1091910463 /nfs/dbraw/zinc/91/04/63/1091910463.db2.gz ZWKHNAZPQVWVOL-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CN1CCC(C)(C#N)CC1 ZINC001207311680 1091919716 /nfs/dbraw/zinc/91/97/16/1091919716.db2.gz FDXTZWZVVXTSDE-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCN1CCN(CCCc2ccc(Br)cc2)CC1 ZINC001207322406 1091925453 /nfs/dbraw/zinc/92/54/53/1091925453.db2.gz OORQTSNQNAJARJ-UHFFFAOYSA-N 0 3 323.278 3.185 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001085779830 1091929520 /nfs/dbraw/zinc/92/95/20/1091929520.db2.gz DNUPLEBLKULMGA-KRWDZBQOSA-N 0 3 317.477 3.490 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2sccc2[nH]1 ZINC001085908870 1092005955 /nfs/dbraw/zinc/00/59/55/1092005955.db2.gz USZLOOYFCQMMEG-ZDUSSCGKSA-N 0 3 317.458 3.342 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001085916997 1092009675 /nfs/dbraw/zinc/00/96/75/1092009675.db2.gz NYCMCVFWPCYPRA-AWEZNQCLSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001085929297 1092021084 /nfs/dbraw/zinc/02/10/84/1092021084.db2.gz UABMDEDFUUZTBU-LJQANCHMSA-N 0 3 310.441 3.368 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001207653707 1092059656 /nfs/dbraw/zinc/05/96/56/1092059656.db2.gz KHTLJYGTIBRODX-MRXNPFEDSA-N 0 3 304.409 3.181 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001085979475 1092067232 /nfs/dbraw/zinc/06/72/32/1092067232.db2.gz SXKMYEJYSCSWMB-MRXNPFEDSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001085990540 1092078880 /nfs/dbraw/zinc/07/88/80/1092078880.db2.gz SDNYSEXSLBSHAC-KMFTYDHNSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC001085995944 1092082701 /nfs/dbraw/zinc/08/27/01/1092082701.db2.gz YVNWFBPXZFLQES-CZUORRHYSA-N 0 3 318.848 3.089 20 30 DGEDHN O=C(CCC1CCC1)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207759260 1092091731 /nfs/dbraw/zinc/09/17/31/1092091731.db2.gz SYVAYVJWULHJQT-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391286 1092110529 /nfs/dbraw/zinc/11/05/29/1092110529.db2.gz GKHAKEOOUJOCFI-HOTGVXAUSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391286 1092110534 /nfs/dbraw/zinc/11/05/34/1092110534.db2.gz GKHAKEOOUJOCFI-HOTGVXAUSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCN1CCN(CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207844874 1092119171 /nfs/dbraw/zinc/11/91/71/1092119171.db2.gz QXVQHCGZNGUXOT-UHFFFAOYSA-N 0 3 312.379 3.442 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001086094029 1092130713 /nfs/dbraw/zinc/13/07/13/1092130713.db2.gz RNDOYIKNIQYJCQ-JNSHFYNHSA-N 0 3 318.804 3.283 20 30 DGEDHN N#CC1(c2ccccc2)CCN(Cc2cc(O)ccc2O)CC1 ZINC001141156724 1092155621 /nfs/dbraw/zinc/15/56/21/1092155621.db2.gz SCNQIGZRARNJJZ-UHFFFAOYSA-N 0 3 308.381 3.155 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001086217554 1092168719 /nfs/dbraw/zinc/16/87/19/1092168719.db2.gz KFBNZXZSVCPHNF-JGZJWPJOSA-N 0 3 319.257 3.252 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001207995474 1092169738 /nfs/dbraw/zinc/16/97/38/1092169738.db2.gz IWLDFPBWNQBZAO-CYBMUJFWSA-N 0 3 324.877 3.142 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001086285092 1092192778 /nfs/dbraw/zinc/19/27/78/1092192778.db2.gz SGRFUYVCYDSPMW-BETUJISGSA-N 0 3 318.804 3.283 20 30 DGEDHN CCCCCCC/C=C/CN1CCC(NC(=O)COC)CC1 ZINC001208118638 1092203534 /nfs/dbraw/zinc/20/35/34/1092203534.db2.gz MNLHGVRAWSVHSB-MDZDMXLPSA-N 0 3 310.482 3.130 20 30 DGEDHN N#C[C@@H]1CCCN(Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141413288 1092233441 /nfs/dbraw/zinc/23/34/41/1092233441.db2.gz NFKQMRGSYIDXFT-MRXNPFEDSA-N 0 3 314.429 3.370 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001086463527 1092262740 /nfs/dbraw/zinc/26/27/40/1092262740.db2.gz MZQPJCNTJLEBKZ-JCNLHEQBSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001491880959 1092271073 /nfs/dbraw/zinc/27/10/73/1092271073.db2.gz DFGUVBWGIVRXAK-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001208239467 1092287620 /nfs/dbraw/zinc/28/76/20/1092287620.db2.gz AWSWEZZGMWLBQH-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001086498876 1092288510 /nfs/dbraw/zinc/28/85/10/1092288510.db2.gz IHMARXRBGSFJHH-CAXWJHAQSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001208255649 1092294580 /nfs/dbraw/zinc/29/45/80/1092294580.db2.gz NVKHAFFDTTVIPT-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4cc(F)ccc4n3)CCC2S1 ZINC001141642494 1092305181 /nfs/dbraw/zinc/30/51/81/1092305181.db2.gz SSAJYVSMVFUYQB-INIZCTEOSA-N 0 3 314.385 3.148 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001491964881 1092327579 /nfs/dbraw/zinc/32/75/79/1092327579.db2.gz CUNXCVXSQDPBPJ-QUCCMNQESA-N 0 3 316.489 3.459 20 30 DGEDHN C[C@H](C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1)C1CCC1 ZINC001208401044 1092343589 /nfs/dbraw/zinc/34/35/89/1092343589.db2.gz RQCHOZJDWVYINP-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cscc1Cl ZINC001492039649 1092358098 /nfs/dbraw/zinc/35/80/98/1092358098.db2.gz JLQAATISOBTEJH-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C(#Cc1ccccc1)c1ccc(CN2CCN3CC[C@H]2C3)s1 ZINC001141978029 1092375871 /nfs/dbraw/zinc/37/58/71/1092375871.db2.gz XPRXXFLTFLJQCG-KRWDZBQOSA-N 0 3 308.450 3.038 20 30 DGEDHN C[C@H]1C[C@@H]1C(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001492165861 1092418450 /nfs/dbraw/zinc/41/84/50/1092418450.db2.gz CINMVHCNWZSAKJ-IHPCNDPISA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001492172377 1092424118 /nfs/dbraw/zinc/42/41/18/1092424118.db2.gz YMCZMNXKHIXBDD-OWCLPIDISA-N 0 3 310.869 3.146 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001108408751 1092424445 /nfs/dbraw/zinc/42/44/45/1092424445.db2.gz KQZMXKQMGXVWSR-APWZRJJASA-N 0 3 324.509 3.375 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001168959163 1092462901 /nfs/dbraw/zinc/46/29/01/1092462901.db2.gz BXBTZIRJZOLODJ-MRXNPFEDSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001169024289 1092506071 /nfs/dbraw/zinc/50/60/71/1092506071.db2.gz FIAIBJFSSWKJPU-GOSISDBHSA-N 0 3 320.864 3.203 20 30 DGEDHN CC[C@H](C)[C@H]([NH2+][C@@H](Cc1ccccc1)CC(C)C)C(=O)N[O-] ZINC001169070246 1092521733 /nfs/dbraw/zinc/52/17/33/1092521733.db2.gz PERYBFJZMHJCGH-UAGQMJEPSA-N 0 3 306.450 3.154 20 30 DGEDHN Cc1cccc(N2CCN(CCCc3cccc(C#N)c3)CC2)n1 ZINC001208846269 1092541945 /nfs/dbraw/zinc/54/19/45/1092541945.db2.gz YWDKUJSKKASEJW-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN CN(CCCc1ccc(C#N)cc1)Cc1cnc2ccccn12 ZINC001208856017 1092546945 /nfs/dbraw/zinc/54/69/45/1092546945.db2.gz ITKSVPXIOUEKCE-UHFFFAOYSA-N 0 3 304.397 3.271 20 30 DGEDHN Cc1cccc(N2CCN(CCc3ccc(C#N)cc3)CC2)c1 ZINC001208920244 1092588008 /nfs/dbraw/zinc/58/80/08/1092588008.db2.gz CEEUEHQLSLYRHL-UHFFFAOYSA-N 0 3 305.425 3.231 20 30 DGEDHN Cc1ccc(N2CCN(CCc3ccc(C#N)cc3)CC2)cc1 ZINC001208920279 1092588422 /nfs/dbraw/zinc/58/84/22/1092588422.db2.gz DDRYCKAVSLPOHM-UHFFFAOYSA-N 0 3 305.425 3.231 20 30 DGEDHN C=CCN(CCN(C)[C@H](C)c1ccc(OC)cc1)C(=O)OCC ZINC001209021931 1092627682 /nfs/dbraw/zinc/62/76/82/1092627682.db2.gz GJHOSMKHOJLCBO-OAHLLOKOSA-N 0 3 320.433 3.333 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209145483 1092670807 /nfs/dbraw/zinc/67/08/07/1092670807.db2.gz DKGPNWVJHWXFRM-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001209146762 1092673032 /nfs/dbraw/zinc/67/30/32/1092673032.db2.gz QJUKJJLHFBTEEF-WMZOPIPTSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCN1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001209161660 1092677542 /nfs/dbraw/zinc/67/75/42/1092677542.db2.gz ODLWNRKTEVCOAN-UHOSZYNNSA-N 0 3 318.461 3.157 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001209192530 1092689033 /nfs/dbraw/zinc/68/90/33/1092689033.db2.gz AGLFFDSTPZWIDP-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCCN1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001209207102 1092694988 /nfs/dbraw/zinc/69/49/88/1092694988.db2.gz LROYPAKPPVOZKB-LJQANCHMSA-N 0 3 302.462 3.348 20 30 DGEDHN C#C[C@H]1CCCN(CC2(F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209236156 1092709250 /nfs/dbraw/zinc/70/92/50/1092709250.db2.gz JTRMWXSJDJTGEP-HNNXBMFYSA-N 0 3 324.440 3.071 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001149780372 1092730709 /nfs/dbraw/zinc/73/07/09/1092730709.db2.gz FVAMCXDGNKFJMI-MSOLQXFVSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CN(CC2=CCCCC2)CCCO1 ZINC001149789617 1092731070 /nfs/dbraw/zinc/73/10/70/1092731070.db2.gz PCZVINSITKYLDD-SFHVURJKSA-N 0 3 320.477 3.050 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001209334496 1092738378 /nfs/dbraw/zinc/73/83/78/1092738378.db2.gz DIVXUXYKKZUAFC-MRXNPFEDSA-N 0 3 304.409 3.263 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001209335257 1092738488 /nfs/dbraw/zinc/73/84/88/1092738488.db2.gz JQZOLZHTRFXNGT-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN CCOC(=O)CCCCCCN1CCc2ccc(C#N)cc2C1 ZINC001209346038 1092741351 /nfs/dbraw/zinc/74/13/51/1092741351.db2.gz OXCMPALTOZVYLS-UHFFFAOYSA-N 0 3 314.429 3.430 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CN(CC2=CCCCC2)CCCO1 ZINC001150223646 1092764038 /nfs/dbraw/zinc/76/40/38/1092764038.db2.gz CSNRWCJIEMODJJ-GOSISDBHSA-N 0 3 320.477 3.050 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CN(CC2=CCCCC2)CCCO1 ZINC001150223647 1092764258 /nfs/dbraw/zinc/76/42/58/1092764258.db2.gz CSNRWCJIEMODJJ-SFHVURJKSA-N 0 3 320.477 3.050 20 30 DGEDHN CC[C@@H](CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2)NC(=O)OC(C)(C)C ZINC001209471004 1092786697 /nfs/dbraw/zinc/78/66/97/1092786697.db2.gz ZPBQNAOPUBNHEE-ZQDZILKHSA-N 0 3 307.438 3.056 20 30 DGEDHN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209525389 1092810110 /nfs/dbraw/zinc/81/01/10/1092810110.db2.gz UECAQJUWXMPIJZ-HSALFYBXSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CC2CCCC2)CC1 ZINC001150918375 1092840019 /nfs/dbraw/zinc/84/00/19/1092840019.db2.gz FRGHEMPELFAMJD-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCCCC)CC1 ZINC001150949135 1092845268 /nfs/dbraw/zinc/84/52/68/1092845268.db2.gz TXONIUHVUPCPGL-UHFFFAOYSA-N 0 3 310.482 3.130 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)/C=C/C(C)(C)C)CC1 ZINC001151027607 1092856342 /nfs/dbraw/zinc/85/63/42/1092856342.db2.gz YFWDOXWYTHDAAJ-BQYQJAHWSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001211343328 1093466382 /nfs/dbraw/zinc/46/63/82/1093466382.db2.gz VGUIXIFREBOVBS-MRXNPFEDSA-N 0 3 301.434 3.087 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001211398959 1093482371 /nfs/dbraw/zinc/48/23/71/1093482371.db2.gz HNMBQKBMEMUUMB-LMMKCTJWSA-N 0 3 306.494 3.443 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C)CCCC2)[C@H](OC)C1 ZINC001213230040 1093546255 /nfs/dbraw/zinc/54/62/55/1093546255.db2.gz FSHKNFDMDGFNCA-IAGOWNOFSA-N 0 3 324.509 3.353 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@H](OC)C1 ZINC001213899736 1093677273 /nfs/dbraw/zinc/67/72/73/1093677273.db2.gz JCYGUTYTRWOOGJ-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)[C@H](OC)C1 ZINC001213944169 1093683929 /nfs/dbraw/zinc/68/39/29/1093683929.db2.gz QWGDOIZBXYRNHA-RCCFBDPRSA-N 0 3 324.509 3.230 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001214148478 1093722040 /nfs/dbraw/zinc/72/20/40/1093722040.db2.gz RWGXRFFBOLFDJX-CZUORRHYSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001214307781 1093753487 /nfs/dbraw/zinc/75/34/87/1093753487.db2.gz MVUHNGJTTRFEKL-PBFPGSCMSA-N 0 3 322.399 3.429 20 30 DGEDHN N#Cc1ncc(Nc2cccc(CN3CCCCC3)c2F)cn1 ZINC001215675770 1094030254 /nfs/dbraw/zinc/03/02/54/1094030254.db2.gz QLVAYNJPFJHWEZ-UHFFFAOYSA-N 0 3 311.364 3.217 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3cc(F)cc(C#N)c3)n2)cc1 ZINC001215975677 1094097966 /nfs/dbraw/zinc/09/79/66/1094097966.db2.gz KIFCZEWHHXBFIK-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1ccc(C#N)cn1 ZINC000404292731 1094252792 /nfs/dbraw/zinc/25/27/92/1094252792.db2.gz BNMZSGYLLDJMOZ-GVDBMIGSSA-N 0 3 320.440 3.441 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(F)c(C#N)c3)n2)cc1 ZINC001216982078 1094288756 /nfs/dbraw/zinc/28/87/56/1094288756.db2.gz BRKNZANIYKDHBY-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN CCCCC[C@@H](C)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001134825006 1094302976 /nfs/dbraw/zinc/30/29/76/1094302976.db2.gz WXPCVTQJKRJBDW-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)C3CCCC3)[C@H]2C1 ZINC001217176826 1094330662 /nfs/dbraw/zinc/33/06/62/1094330662.db2.gz NZRMXEJFVGZUOJ-ZWKOTPCHSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(=C)Cl)C1 ZINC001120348644 1094410983 /nfs/dbraw/zinc/41/09/83/1094410983.db2.gz ZGPYMNYTALAXNT-JKSUJKDBSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001120372229 1094417202 /nfs/dbraw/zinc/41/72/02/1094417202.db2.gz BKBQLKWJZXQLSI-DLBZAZTESA-N 0 3 322.880 3.101 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120412694 1094423918 /nfs/dbraw/zinc/42/39/18/1094423918.db2.gz HUIXIBLWETTXKW-ZWKOTPCHSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1conc1CC ZINC001135180663 1094430994 /nfs/dbraw/zinc/43/09/94/1094430994.db2.gz IYOVTMJYERELAV-KBPBESRZSA-N 0 3 321.465 3.212 20 30 DGEDHN C=CC1(CC(=O)NCCNCc2cnccc2C)CCCCC1 ZINC001135187104 1094435981 /nfs/dbraw/zinc/43/59/81/1094435981.db2.gz QACGAYUYJJFWDV-UHFFFAOYSA-N 0 3 315.461 3.122 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CC3CCC3)[C@H]2C1 ZINC001217594124 1094450514 /nfs/dbraw/zinc/45/05/14/1094450514.db2.gz CPCDHLGYMPJMSF-ZWKOTPCHSA-N 0 3 322.493 3.059 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135235098 1094453763 /nfs/dbraw/zinc/45/37/63/1094453763.db2.gz GWQMXOCQBBMEEJ-KBPBESRZSA-N 0 3 321.490 3.018 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135236906 1094454743 /nfs/dbraw/zinc/45/47/43/1094454743.db2.gz YKJOQCNKEMZQPN-HUUCEWRRSA-N 0 3 313.445 3.143 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135236907 1094454872 /nfs/dbraw/zinc/45/48/72/1094454872.db2.gz YKJOQCNKEMZQPN-LSDHHAIUSA-N 0 3 313.445 3.143 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001135239663 1094457284 /nfs/dbraw/zinc/45/72/84/1094457284.db2.gz ZXVAKQFQIFFOGO-HUPKAIDTSA-N 0 3 319.276 3.372 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001135357943 1094502275 /nfs/dbraw/zinc/50/22/75/1094502275.db2.gz KCKJKOVGCXUJBP-KGLIPLIRSA-N 0 3 321.465 3.275 20 30 DGEDHN COC(=O)CCCCCCCCCCCO[C@H]1CNC[C@H]1C#N ZINC001217833194 1094502607 /nfs/dbraw/zinc/50/26/07/1094502607.db2.gz RIXOOYWRVJFBTD-SJORKVTESA-N 0 3 324.465 3.189 20 30 DGEDHN CCOC(=O)CCCCCCCCCCO[C@H]1CNC[C@H]1C#N ZINC001217831629 1094502848 /nfs/dbraw/zinc/50/28/48/1094502848.db2.gz KJGNQZDYRBFFJH-SJORKVTESA-N 0 3 324.465 3.189 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135358757 1094503380 /nfs/dbraw/zinc/50/33/80/1094503380.db2.gz XYWOJRIFBDQVKA-STQMWFEESA-N 0 3 309.479 3.181 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2conc2C)CC1 ZINC001135382292 1094510746 /nfs/dbraw/zinc/51/07/46/1094510746.db2.gz FSLDSUSNHNUYNZ-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2cnc(C)o2)CC1 ZINC001135382408 1094510885 /nfs/dbraw/zinc/51/08/85/1094510885.db2.gz HLQZQVZIVBUTQL-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OC(Cl)(c1ccccc1)c1ccccc1 ZINC001217910797 1094515862 /nfs/dbraw/zinc/51/58/62/1094515862.db2.gz NCTHWWTXTCRYNQ-YOEHRIQHSA-N 0 3 312.800 3.255 20 30 DGEDHN Fc1ccc(C#Cc2ccc(O[C@@H]3CCNC[C@@H]3F)cc2)cc1 ZINC001218064478 1094583178 /nfs/dbraw/zinc/58/31/78/1094583178.db2.gz LKBCWDJYJKNEJG-RBUKOAKNSA-N 0 3 313.347 3.304 20 30 DGEDHN N#Cc1ccc(-c2ccc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)cc2)cc1 ZINC001218129575 1094623668 /nfs/dbraw/zinc/62/36/68/1094623668.db2.gz OOIPHDKAXMACFC-XUVXKRRUSA-N 0 3 320.392 3.123 20 30 DGEDHN N#Cc1ccc(-c2ccc(O[C@H]3CC[C@@H]4NCCO[C@H]43)cc2)cc1 ZINC001218150676 1094634954 /nfs/dbraw/zinc/63/49/54/1094634954.db2.gz OOIPHDKAXMACFC-SLFFLAALSA-N 0 3 320.392 3.123 20 30 DGEDHN C=C(C)CCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001336480790 1094658791 /nfs/dbraw/zinc/65/87/91/1094658791.db2.gz OZZNOKZHDTVQGF-UHFFFAOYSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)CC(F)F)C2 ZINC001121423462 1094683602 /nfs/dbraw/zinc/68/36/02/1094683602.db2.gz FKVOXCZSPPKMFU-NCLPGTSESA-N 0 3 320.811 3.047 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001086798101 1094695738 /nfs/dbraw/zinc/69/57/38/1094695738.db2.gz YPLMBYAELDQXJH-MPTYRVRUSA-N 0 3 310.869 3.194 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@H](CC)CCCC)[C@H]2C1 ZINC001218332439 1094721385 /nfs/dbraw/zinc/72/13/85/1094721385.db2.gz IVMDEKRJOODDLI-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1C ZINC001103836609 1094767887 /nfs/dbraw/zinc/76/78/87/1094767887.db2.gz PXIQHLABMIHSRZ-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1C ZINC001103872931 1094782111 /nfs/dbraw/zinc/78/21/11/1094782111.db2.gz VKZSDJYEHWYWNO-VNQPRFMTSA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001103901209 1094794842 /nfs/dbraw/zinc/79/48/42/1094794842.db2.gz RDYYCKSOJNKLMN-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN N#Cc1ccc2c(cccc2O[C@@H]2CNCc3ccccc32)n1 ZINC001218486170 1094810690 /nfs/dbraw/zinc/81/06/90/1094810690.db2.gz HPHOMNNSDMJMMR-LJQANCHMSA-N 0 3 301.349 3.330 20 30 DGEDHN N#Cc1ccc2ccc(O[C@@H]3CNCc4ccccc43)nc2c1 ZINC001218489955 1094818030 /nfs/dbraw/zinc/81/80/30/1094818030.db2.gz QDJGQHCBYSYYHJ-GOSISDBHSA-N 0 3 301.349 3.330 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1nc2c(cccc2C)[nH]1 ZINC001218502051 1094822273 /nfs/dbraw/zinc/82/22/73/1094822273.db2.gz OWOQQIAVCLUWQK-ZDUSSCGKSA-N 0 3 300.406 3.274 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001121945474 1094838940 /nfs/dbraw/zinc/83/89/40/1094838940.db2.gz DEPJWEOYSWZQNU-GOSISDBHSA-N 0 3 317.477 3.173 20 30 DGEDHN N#Cc1cc(NC(=O)C[C@@H](N)c2ccccc2)ccc1C1CC1 ZINC001337078349 1094845178 /nfs/dbraw/zinc/84/51/78/1094845178.db2.gz XFWKESRLRBENBQ-GOSISDBHSA-N 0 3 305.381 3.464 20 30 DGEDHN CC[C@@H]1CCCC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136080677 1094849293 /nfs/dbraw/zinc/84/92/93/1094849293.db2.gz JRZUAZVGVOBTSI-CJNGLKHVSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)[C@@H](C)CC)C2 ZINC001121975066 1094854057 /nfs/dbraw/zinc/85/40/57/1094854057.db2.gz KWHGESDQYRHBMA-CXTNICHPSA-N 0 3 312.885 3.438 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC001121975617 1094856558 /nfs/dbraw/zinc/85/65/58/1094856558.db2.gz SSAIJDMLIUGMER-MRXNPFEDSA-N 0 3 301.434 3.217 20 30 DGEDHN C=C(C)CCC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC001337174374 1094883644 /nfs/dbraw/zinc/88/36/44/1094883644.db2.gz YTTUUJWVRVLMAZ-UHFFFAOYSA-N 0 3 316.445 3.110 20 30 DGEDHN N#Cc1cc(F)c(NC(=O)[C@@H](N)C2CCCCC2)c(Cl)c1 ZINC001218995531 1094923441 /nfs/dbraw/zinc/92/34/41/1094923441.db2.gz RHMBKKCMVXIQPC-ZDUSSCGKSA-N 0 3 309.772 3.197 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)(C)C)C1 ZINC001111658620 1094943148 /nfs/dbraw/zinc/94/31/48/1094943148.db2.gz IBHGGOMYPBFPCU-LPHOPBHVSA-N 0 3 304.478 3.197 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4cccc(Cl)c4C3)CCC2S1 ZINC001170931685 1094957911 /nfs/dbraw/zinc/95/79/11/1094957911.db2.gz RWNNATKLZWQQCP-XJKSGUPXSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4cccc(Cl)c4C3)CC[C@H]2S1 ZINC001170931685 1094957921 /nfs/dbraw/zinc/95/79/21/1094957921.db2.gz RWNNATKLZWQQCP-XJKSGUPXSA-N 0 3 319.857 3.471 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC/C=C\c2ccccc2)C1 ZINC001111870913 1094995492 /nfs/dbraw/zinc/99/54/92/1094995492.db2.gz RVOKPSDNFMLUMN-LWUUHIRDSA-N 0 3 322.452 3.084 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001111936785 1095017473 /nfs/dbraw/zinc/01/74/73/1095017473.db2.gz XMZXVISLOKOGGH-CUWPLCDZSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCCCC)C[C@H]1C(F)(F)F ZINC001112201758 1095041557 /nfs/dbraw/zinc/04/15/57/1095041557.db2.gz NHYVPFMTOFEPOR-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(F)n1 ZINC001122715124 1095043549 /nfs/dbraw/zinc/04/35/49/1095043549.db2.gz XOEFKSAJCPZMOG-LLVKDONJSA-N 0 3 319.679 3.272 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(CCC)CCC)[C@@H](O)C1 ZINC001220234118 1095066708 /nfs/dbraw/zinc/06/67/08/1095066708.db2.gz VNMNEESIXADTMV-MSOLQXFVSA-N 0 3 324.509 3.111 20 30 DGEDHN CC1(CCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)CC1 ZINC001122898112 1095095222 /nfs/dbraw/zinc/09/52/22/1095095222.db2.gz RPCBTDSTOPEUET-CQSZACIVSA-N 0 3 318.804 3.245 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001171010725 1095123416 /nfs/dbraw/zinc/12/34/16/1095123416.db2.gz UORAURHTACDLEE-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C1CC=C(F)C=C1NC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220797557 1095156111 /nfs/dbraw/zinc/15/61/11/1095156111.db2.gz RQJHSUWONYXBGX-AFRKLYKTSA-N 0 3 316.420 3.344 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001220841080 1095163237 /nfs/dbraw/zinc/16/32/37/1095163237.db2.gz HNWKCMQRNWOKMO-MSOLQXFVSA-N 0 3 324.509 3.255 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4c(Cl)cccc4C3)CCC2S1 ZINC001171037069 1095173160 /nfs/dbraw/zinc/17/31/60/1095173160.db2.gz JKFPBQOVVLKWTE-CZUORRHYSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4c(Cl)cccc4C3)CC[C@H]2S1 ZINC001171037069 1095173164 /nfs/dbraw/zinc/17/31/64/1095173164.db2.gz JKFPBQOVVLKWTE-CZUORRHYSA-N 0 3 319.857 3.471 20 30 DGEDHN CC(=O)NCC1(NCC#Cc2cccc(Cl)c2)CCCCC1 ZINC001115372249 1095192664 /nfs/dbraw/zinc/19/26/64/1095192664.db2.gz LXKMFWZULMHSAR-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001123233773 1095195350 /nfs/dbraw/zinc/19/53/50/1095195350.db2.gz NMHXENALDXYCGL-KRWDZBQOSA-N 0 3 307.397 3.201 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(Br)oc1C ZINC001123234629 1095196668 /nfs/dbraw/zinc/19/66/68/1095196668.db2.gz YUKDIBPWDMKNFE-SNVBAGLBSA-N 0 3 322.162 3.057 20 30 DGEDHN C=C[C@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001338161560 1095207213 /nfs/dbraw/zinc/20/72/13/1095207213.db2.gz CYYBINLAEBSPIR-QGZVFWFLSA-N 0 3 313.397 3.262 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCc2ccco2)CCCCC1 ZINC001115404738 1095207332 /nfs/dbraw/zinc/20/73/32/1095207332.db2.gz ARYURIJNTDXMBI-UHFFFAOYSA-N 0 3 324.852 3.373 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3cc(C)cc(C)c3)C[C@H]21 ZINC001221424071 1095260190 /nfs/dbraw/zinc/26/01/90/1095260190.db2.gz YOXCYRKTNPYACR-RTBURBONSA-N 0 3 312.457 3.302 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3ccccc3CC)C[C@H]21 ZINC001221513950 1095289045 /nfs/dbraw/zinc/28/90/45/1095289045.db2.gz ATZYZBVWZISCLO-WOJBJXKFSA-N 0 3 324.468 3.085 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCC(F)F)CCCCC1 ZINC001115630145 1095310323 /nfs/dbraw/zinc/31/03/23/1095310323.db2.gz BTIAMXTVQWKVQU-UHFFFAOYSA-N 0 3 308.800 3.193 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001338553198 1095333856 /nfs/dbraw/zinc/33/38/56/1095333856.db2.gz WRJDUVOCMQTTNS-DZGCQCFKSA-N 0 3 320.408 3.318 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001338553214 1095334004 /nfs/dbraw/zinc/33/40/04/1095334004.db2.gz WRJDUVOCMQTTNS-UKRRQHHQSA-N 0 3 320.408 3.318 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001221752485 1095345635 /nfs/dbraw/zinc/34/56/35/1095345635.db2.gz SGRVAVCHTDAXGO-MISYRCLQSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001338653291 1095351914 /nfs/dbraw/zinc/35/19/14/1095351914.db2.gz JLJAHBJGQGTDDE-DLBZAZTESA-N 0 3 319.493 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)NC2(C)CCC(C)(C)CC2)CC1 ZINC001221806797 1095363540 /nfs/dbraw/zinc/36/35/40/1095363540.db2.gz PFASXBQGKLXOFB-UHFFFAOYSA-N 0 3 307.482 3.295 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](CC)c3ccccc3)[C@@H]2C1 ZINC001221942279 1095395094 /nfs/dbraw/zinc/39/50/94/1095395094.db2.gz GDSQDQAKQRQJBN-DFQSSKMNSA-N 0 3 324.468 3.126 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21)c1ccccc1 ZINC001222037189 1095414119 /nfs/dbraw/zinc/41/41/19/1095414119.db2.gz VKXWNCGWGHGCAE-VAMGGRTRSA-N 0 3 324.468 3.455 20 30 DGEDHN CC(=NNCC1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC001116076992 1095452620 /nfs/dbraw/zinc/45/26/20/1095452620.db2.gz MWQDSMXVPLKOFI-UHFFFAOYSA-N 0 3 315.461 3.417 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccc(O)c1C)C2 ZINC001144116922 1095517389 /nfs/dbraw/zinc/51/73/89/1095517389.db2.gz OQPATVKOUZOBEU-MJGOQNOKSA-N 0 3 317.429 3.027 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(Br)no1 ZINC001171181184 1095659201 /nfs/dbraw/zinc/65/92/01/1095659201.db2.gz HMPRJZINUBFWAP-SNVBAGLBSA-N 0 3 320.190 3.030 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001171187646 1095671627 /nfs/dbraw/zinc/67/16/27/1095671627.db2.gz NERRQDKCAWZUBB-AWEZNQCLSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCCC(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001222578868 1095675009 /nfs/dbraw/zinc/67/50/09/1095675009.db2.gz ICRZVJHHBLXFKU-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2Cc1[nH]ccc1C#N ZINC001276837755 1095752877 /nfs/dbraw/zinc/75/28/77/1095752877.db2.gz GHEACMJNQLGYSV-RYQLBKOJSA-N 0 3 314.477 3.361 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001091374746 1095920088 /nfs/dbraw/zinc/92/00/88/1095920088.db2.gz BALOHBRUVVNZLQ-UHFFFAOYSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001091373523 1095920625 /nfs/dbraw/zinc/92/06/25/1095920625.db2.gz FIBCBVQAIIIHFO-UHFFFAOYSA-N 0 3 318.848 3.415 20 30 DGEDHN CC[C@H](CC#N)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171249114 1095922700 /nfs/dbraw/zinc/92/27/00/1095922700.db2.gz GCOFHFYYXNFWRC-CSNJMZFVSA-N 0 3 311.429 3.104 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001276884216 1095951611 /nfs/dbraw/zinc/95/16/11/1095951611.db2.gz QEIIRIMVADMSFS-UONOGXRCSA-N 0 3 306.475 3.469 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)[C@H](N)CCCCC#N ZINC001118322321 1095981474 /nfs/dbraw/zinc/98/14/74/1095981474.db2.gz AHXMZOURLRFWCA-QBPKDAKJSA-N 0 3 307.482 3.222 20 30 DGEDHN CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC001118400824 1096000457 /nfs/dbraw/zinc/00/04/57/1096000457.db2.gz PMBCMEKDIGDUAD-UHFFFAOYSA-N 0 3 321.424 3.219 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)CCCCC)C[C@@H]21 ZINC001223622099 1096019127 /nfs/dbraw/zinc/01/91/27/1096019127.db2.gz LVFCYBMKRMXHCT-KSZLIROESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224198229 1096160478 /nfs/dbraw/zinc/16/04/78/1096160478.db2.gz MFZUTGVMCKAGQC-ZDUSSCGKSA-N 0 3 320.399 3.369 20 30 DGEDHN Cc1ncsc1CN1C[C@@H]2CCN(c3ccccc3C#N)[C@@H]2C1 ZINC001276954187 1096168701 /nfs/dbraw/zinc/16/87/01/1096168701.db2.gz YHWAAJZAWZKMQC-DOTOQJQBSA-N 0 3 324.453 3.034 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC001276964936 1096192953 /nfs/dbraw/zinc/19/29/53/1096192953.db2.gz ZPKJMZHHBAVZFQ-ZDUSSCGKSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCCCC(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001147440138 1096228773 /nfs/dbraw/zinc/22/87/73/1096228773.db2.gz JPXATHFUSTUUNB-DHZHZOJOSA-N 0 3 322.452 3.038 20 30 DGEDHN C[C@H](OC[C@@H]1CCCN1C)C(F)(F)C(F)(F)C(F)(F)F ZINC001224817805 1096291416 /nfs/dbraw/zinc/29/14/16/1096291416.db2.gz APFXYRBPFBVQHO-YUMQZZPRSA-N 0 3 311.241 3.319 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001224825000 1096293675 /nfs/dbraw/zinc/29/36/75/1096293675.db2.gz FBJZHNJWWFAEJT-MRXNPFEDSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)CCC=C(C)C)C2)C1 ZINC001148320751 1096349663 /nfs/dbraw/zinc/34/96/63/1096349663.db2.gz GGCFZJGGWHNSIP-GOSISDBHSA-N 0 3 316.489 3.317 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001277020266 1096350417 /nfs/dbraw/zinc/35/04/17/1096350417.db2.gz YAKRURUNLLELHL-UCZXGBCZSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001225154634 1096354844 /nfs/dbraw/zinc/35/48/44/1096354844.db2.gz CSCJMOLNGLKRAR-INIZCTEOSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C(CC(C)C)CC(C)C)C2)C1 ZINC001148862156 1096458762 /nfs/dbraw/zinc/45/87/62/1096458762.db2.gz OLRDQDONLQWMFI-UHFFFAOYSA-N 0 3 318.505 3.252 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC=CCC3)C2)CC1 ZINC001086902447 1096501495 /nfs/dbraw/zinc/50/14/95/1096501495.db2.gz FJMOTMXYTVBTIE-QZTJIDSGSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C3CC(C)(C)C3)C2)CC1 ZINC001086921108 1096509661 /nfs/dbraw/zinc/50/96/61/1096509661.db2.gz HZQDGWYJJQXKLT-INIZCTEOSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3(C)CCCC3)C2)CC1 ZINC001086921090 1096509733 /nfs/dbraw/zinc/50/97/33/1096509733.db2.gz HMFCTUCOHCKYKN-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H](C)C3CC3)C2)CC1 ZINC001086958349 1096524347 /nfs/dbraw/zinc/52/43/47/1096524347.db2.gz NPVKCGPQLLREAC-IRXDYDNUSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(CCC)cc3)C[C@]2(C)C1 ZINC001091964443 1096555489 /nfs/dbraw/zinc/55/54/89/1096555489.db2.gz JIKLDEQJGCIJJX-CTNGQTDRSA-N 0 3 324.468 3.056 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC3CCCCC3)C[C@]2(C)C1 ZINC001092063267 1096571770 /nfs/dbraw/zinc/57/17/70/1096571770.db2.gz LCUWWNDCWYONMH-HQRMLTQVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C)c1ccccc1 ZINC001110137037 1096634358 /nfs/dbraw/zinc/63/43/58/1096634358.db2.gz YGLSDKSJFQQVHP-YRXWBPOGSA-N 0 3 310.441 3.254 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001226518089 1096711152 /nfs/dbraw/zinc/71/11/52/1096711152.db2.gz BHHFVOLLPYOXIN-OAHLLOKOSA-N 0 3 316.445 3.303 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001226519531 1096711286 /nfs/dbraw/zinc/71/12/86/1096711286.db2.gz ZTUAYVZYMHNVHG-AWEZNQCLSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCCC(=O)NC1CCN(CCOC2CCCCCC2)CC1 ZINC001226519061 1096711379 /nfs/dbraw/zinc/71/13/79/1096711379.db2.gz PYKIHQPEKYHXAY-UHFFFAOYSA-N 0 3 322.493 3.273 20 30 DGEDHN C=C1CCC(C(=O)NCC2(NCc3ccc(F)cc3)CC2)CC1 ZINC001277165287 1096812253 /nfs/dbraw/zinc/81/22/53/1096812253.db2.gz WZNWYMQQFSLTGW-UHFFFAOYSA-N 0 3 316.420 3.311 20 30 DGEDHN N#Cc1ccccc1CN1CC[C@H](Oc2ccc3nc[nH]c3c2)C1 ZINC001226927712 1096819270 /nfs/dbraw/zinc/81/92/70/1096819270.db2.gz ABKDQGHYRRAKFD-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN CCN1CCC[C@@H](Oc2nc(C)c(-c3ccncc3)cc2C#N)C1 ZINC001227269815 1096909182 /nfs/dbraw/zinc/90/91/82/1096909182.db2.gz KSARXYOSUCMWHR-QGZVFWFLSA-N 0 3 322.412 3.187 20 30 DGEDHN CC(C)c1ccc(CN2CCC(NC(=O)C#CC3CC3)CC2)cc1 ZINC001227289591 1096912807 /nfs/dbraw/zinc/91/28/07/1096912807.db2.gz DNZHRRAAVDKWDL-UHFFFAOYSA-N 0 3 324.468 3.304 20 30 DGEDHN N#Cc1cccc([C@H](O)CNC2(c3ccccc3F)CCC2)c1 ZINC001171520928 1096916481 /nfs/dbraw/zinc/91/64/81/1096916481.db2.gz DVNCYDZNYSDBTI-GOSISDBHSA-N 0 3 310.372 3.400 20 30 DGEDHN N#Cc1ccc([O-])c(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001227344932 1096918758 /nfs/dbraw/zinc/91/87/58/1096918758.db2.gz HHJGHSRFEOKASS-QGZVFWFLSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccc([O-])c(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227344932 1096918760 /nfs/dbraw/zinc/91/87/60/1096918760.db2.gz HHJGHSRFEOKASS-QGZVFWFLSA-N 0 3 308.381 3.307 20 30 DGEDHN N#CC1(c2ccccc2)CCN(Cc2ccc(CO)cc2)CC1 ZINC001203180675 1096922916 /nfs/dbraw/zinc/92/29/16/1096922916.db2.gz WVHGIKZJOFFGQR-UHFFFAOYSA-N 0 3 306.409 3.236 20 30 DGEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001277226285 1096963524 /nfs/dbraw/zinc/96/35/24/1096963524.db2.gz VIRORPIYEWSXHK-MTNOOBJLSA-N 0 3 322.493 3.057 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1cnoc1C ZINC001171818972 1096974377 /nfs/dbraw/zinc/97/43/77/1096974377.db2.gz ZOBCFKRRHQSPRS-UHFFFAOYSA-N 0 3 309.454 3.330 20 30 DGEDHN CCCN(CCC#N)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171895286 1096996996 /nfs/dbraw/zinc/99/69/96/1096996996.db2.gz PKNVXJHOBHCYPD-GOSISDBHSA-N 0 3 313.445 3.307 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)s1 ZINC001227967258 1097021426 /nfs/dbraw/zinc/02/14/26/1097021426.db2.gz HHCMAZGWGWBDJO-HUUCEWRRSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)s1 ZINC001228270433 1097086412 /nfs/dbraw/zinc/08/64/12/1097086412.db2.gz PQSQLSYYNJVUNU-HZPDHXFCSA-N 0 3 321.490 3.325 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)CC1 ZINC001172310261 1097096519 /nfs/dbraw/zinc/09/65/19/1097096519.db2.gz BUHYLZYEIICQMI-SFHVURJKSA-N 0 3 319.452 3.307 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCN(CC#CC)C1 ZINC001277286171 1097100354 /nfs/dbraw/zinc/10/03/54/1097100354.db2.gz VZMSBYHCPPAFPW-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccn(CC(F)(F)F)n1 ZINC001172300005 1097109907 /nfs/dbraw/zinc/10/99/07/1097109907.db2.gz QJRSQGYHBGAWPI-LBPRGKRZSA-N 0 3 322.334 3.038 20 30 DGEDHN C=CCc1cc(OC)c(O[C@@H]2CCN(C(C)C)C2)c(OC)c1 ZINC001228427892 1097119205 /nfs/dbraw/zinc/11/92/05/1097119205.db2.gz QCQRPNOXNUBYFD-OAHLLOKOSA-N 0 3 305.418 3.294 20 30 DGEDHN CC(C)COCC[C@@H](C)N1CCN(c2cccc(C#N)c2)CC1 ZINC001172485269 1097152569 /nfs/dbraw/zinc/15/25/69/1097152569.db2.gz VKJANGOAPFQQNU-QGZVFWFLSA-N 0 3 315.461 3.131 20 30 DGEDHN CC(C)N(C)Cc1cnc2n1CCN([C@H](C)CCCC#N)[C@@H]2C ZINC001172495694 1097170235 /nfs/dbraw/zinc/17/02/35/1097170235.db2.gz TTYXMAYEFMCVEH-HZPDHXFCSA-N 0 3 317.481 3.182 20 30 DGEDHN CN1CC[C@@H](Oc2cc(OCc3ccccc3)ccc2C#N)C1 ZINC001228719496 1097176291 /nfs/dbraw/zinc/17/62/91/1097176291.db2.gz RSSJQLBNFZBMEB-GOSISDBHSA-N 0 3 308.381 3.220 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(F)(F)F)CC1 ZINC001228730917 1097178064 /nfs/dbraw/zinc/17/80/64/1097178064.db2.gz KSXOSNNDJKNCFT-GHMZBOCLSA-N 0 3 324.774 3.098 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228748611 1097182522 /nfs/dbraw/zinc/18/25/22/1097182522.db2.gz MPDAJVZSXPSYIR-IAGOWNOFSA-N 0 3 324.509 3.088 20 30 DGEDHN CCCN(CCC#N)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172816439 1097246902 /nfs/dbraw/zinc/24/69/02/1097246902.db2.gz DEJLVRIIOMCPFE-XYPWUTKMSA-N 0 3 319.449 3.319 20 30 DGEDHN C[C@H](Cc1ccc(F)cc1Cl)NC(=N)c1ccc(F)cn1 ZINC001172857253 1097263415 /nfs/dbraw/zinc/26/34/15/1097263415.db2.gz SHVYJWZWWJZQNF-SECBINFHSA-N 0 3 309.747 3.350 20 30 DGEDHN CCCN(CCC#N)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915428 1097279480 /nfs/dbraw/zinc/27/94/80/1097279480.db2.gz MVXAROYHNUMVCE-INIZCTEOSA-N 0 3 301.390 3.468 20 30 DGEDHN CC[C@@H](C)C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001277379549 1097305356 /nfs/dbraw/zinc/30/53/56/1097305356.db2.gz RQIBWKGSSXMQMT-QGZVFWFLSA-N 0 3 312.457 3.007 20 30 DGEDHN C[C@@H]1CC[C@H](N2CCC(C)(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173067814 1097321482 /nfs/dbraw/zinc/32/14/82/1097321482.db2.gz YZHZSZHHGRHCIF-CABCVRRESA-N 0 3 321.465 3.400 20 30 DGEDHN CCC(=O)C1(c2cccc(O[C@@H](C)CS)c2)CCN(C)CC1 ZINC001229738243 1097374942 /nfs/dbraw/zinc/37/49/42/1097374942.db2.gz RZYLLALNPQOIAB-AWEZNQCLSA-N 0 3 321.486 3.326 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001229846505 1097397318 /nfs/dbraw/zinc/39/73/18/1097397318.db2.gz WFQOIMROMBGKRU-QZTJIDSGSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCOC1CCC(NCc2cc(Br)no2)CC1 ZINC001173313339 1097408984 /nfs/dbraw/zinc/40/89/84/1097408984.db2.gz VJAVRRJJWTXFMW-UHFFFAOYSA-N 0 3 315.211 3.041 20 30 DGEDHN C=CCOC1CCC(n2nc(-c3ccncc3)cc2CN)CC1 ZINC001173318437 1097428290 /nfs/dbraw/zinc/42/82/90/1097428290.db2.gz UXCJZUPHGAWGKB-UHFFFAOYSA-N 0 3 312.417 3.090 20 30 DGEDHN CC1(C#N)CCC(N2CCN(c3ccccc3C#N)CC2)CC1 ZINC001173592140 1097466182 /nfs/dbraw/zinc/46/61/82/1097466182.db2.gz HUUZJHDQCBLNQZ-UHFFFAOYSA-N 0 3 308.429 3.153 20 30 DGEDHN CC(=O)Oc1ccc(C2CCC(N3CC[C@@H](C#N)C3)CC2)cc1 ZINC001173789910 1097514308 /nfs/dbraw/zinc/51/43/08/1097514308.db2.gz WHZJPNYSTBXVPQ-HJOIGYKYSA-N 0 3 312.413 3.484 20 30 DGEDHN COc1cc(C#N)c(Nc2ccccc2CN(C)C)cc1OC ZINC001173930155 1097556953 /nfs/dbraw/zinc/55/69/53/1097556953.db2.gz SXHQYODLERNXNH-UHFFFAOYSA-N 0 3 311.385 3.381 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230769414 1097578707 /nfs/dbraw/zinc/57/87/07/1097578707.db2.gz PGVMOUZVJCRQER-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230978593 1097637013 /nfs/dbraw/zinc/63/70/13/1097637013.db2.gz YOMRLMPGCCLUID-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001231059660 1097657814 /nfs/dbraw/zinc/65/78/14/1097657814.db2.gz AEPCDWZDPOGAST-ROUUACIJSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCCC=C ZINC001231095511 1097667560 /nfs/dbraw/zinc/66/75/60/1097667560.db2.gz RAHGPIAYIKOHBA-ROUUACIJSA-N 0 3 322.493 3.247 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1=COCCC1 ZINC001231115488 1097672337 /nfs/dbraw/zinc/67/23/37/1097672337.db2.gz VPMBCKIFANCXOD-KRWDZBQOSA-N 0 3 308.466 3.184 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CC1CCC(F)(F)CC1 ZINC001231170253 1097687330 /nfs/dbraw/zinc/68/73/30/1097687330.db2.gz OCQOPBIGSCTUJB-OAHLLOKOSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnccc1C ZINC001231359295 1097730183 /nfs/dbraw/zinc/73/01/83/1097730183.db2.gz LZOLDEFHQQBVPD-QGZVFWFLSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC1CCOCC1 ZINC001231388245 1097736497 /nfs/dbraw/zinc/73/64/97/1097736497.db2.gz NNPNMTQCILAGAL-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001231412573 1097744078 /nfs/dbraw/zinc/74/40/78/1097744078.db2.gz FNVQWPOUKLHCLZ-ZBFHGGJFSA-N 0 3 304.434 3.397 20 30 DGEDHN C[C@H]1C[C@H](O)CCN1Cc1ccccc1C#Cc1ccccc1 ZINC001231578394 1097783291 /nfs/dbraw/zinc/78/32/91/1097783291.db2.gz MASIYZPSVNKPPO-LAUBAEHRSA-N 0 3 305.421 3.432 20 30 DGEDHN C#Cc1cccc(CN2CCN(CCc3ccccc3)CC2)c1 ZINC001231659097 1097806947 /nfs/dbraw/zinc/80/69/47/1097806947.db2.gz FOFWUODXOXOOLR-UHFFFAOYSA-N 0 3 304.437 3.028 20 30 DGEDHN C#Cc1cccc(CN2CC[C@H](Oc3ccccc3OC)C2)c1 ZINC001231659003 1097806999 /nfs/dbraw/zinc/80/69/99/1097806999.db2.gz CVBLCPLRYBRAOD-SFHVURJKSA-N 0 3 307.393 3.330 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3cccc(OC)n3)C2)c1 ZINC001231664372 1097809332 /nfs/dbraw/zinc/80/93/32/1097809332.db2.gz PTNFDVKQCIZSLJ-GOSISDBHSA-N 0 3 322.408 3.115 20 30 DGEDHN Cc1ccc([O-])c(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)n1 ZINC001231673142 1097812516 /nfs/dbraw/zinc/81/25/16/1097812516.db2.gz DMOIJIXVLMLWHL-UHFFFAOYSA-N 0 3 321.424 3.422 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(C)csc1Cl ZINC001174721977 1097820193 /nfs/dbraw/zinc/82/01/93/1097820193.db2.gz IJYVXFHYOJPLTM-UHFFFAOYSA-N 0 3 307.246 3.172 20 30 DGEDHN CC[C@H](F)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001174727213 1097820913 /nfs/dbraw/zinc/82/09/13/1097820913.db2.gz XEMTZPREURYCNE-YOEHRIQHSA-N 0 3 319.424 3.071 20 30 DGEDHN Cc1cc(C)c(CN2CCN(c3ccccc3C#N)CC2)c(O)c1 ZINC001231841629 1097860346 /nfs/dbraw/zinc/86/03/46/1097860346.db2.gz GDJMDDLFCFVMHZ-UHFFFAOYSA-N 0 3 321.424 3.203 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001175081477 1097941246 /nfs/dbraw/zinc/94/12/46/1097941246.db2.gz GXTWECZRTVLVCR-KSSFIOAISA-N 0 3 321.465 3.350 20 30 DGEDHN CN(C)Cc1cc(F)cc(CN2CCc3cc(C#N)ccc3C2)c1 ZINC001232145022 1097949948 /nfs/dbraw/zinc/94/99/48/1097949948.db2.gz RYRKEFLWGFSFOS-UHFFFAOYSA-N 0 3 323.415 3.317 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccccc1Cl ZINC001175483738 1098059492 /nfs/dbraw/zinc/05/94/92/1098059492.db2.gz NHRRIOJNPRPABU-UHFFFAOYSA-N 0 3 315.244 3.121 20 30 DGEDHN O=C1C=C2CN(Cc3ncc(Cl)cc3Cl)CCC2S1 ZINC001232570036 1098079917 /nfs/dbraw/zinc/07/99/17/1098079917.db2.gz AQWULHPFYWMFBP-LBPRGKRZSA-N 0 3 315.225 3.163 20 30 DGEDHN CCC(CC)CN1CC(N(C)C(=O)CC#Cc2ccccc2)C1 ZINC001277699742 1098113334 /nfs/dbraw/zinc/11/33/34/1098113334.db2.gz PDIHJOFHJVCQKG-UHFFFAOYSA-N 0 3 312.457 3.007 20 30 DGEDHN O=C1C=C2CN(Cc3cccc4ncsc43)CCC2S1 ZINC001232730806 1098121274 /nfs/dbraw/zinc/12/12/74/1098121274.db2.gz OOOFWLLKPFFMKF-ZDUSSCGKSA-N 0 3 302.424 3.070 20 30 DGEDHN O=C1C=C2CN(Cc3cccc4ncsc43)CC[C@@H]2S1 ZINC001232730806 1098121275 /nfs/dbraw/zinc/12/12/75/1098121275.db2.gz OOOFWLLKPFFMKF-ZDUSSCGKSA-N 0 3 302.424 3.070 20 30 DGEDHN C#CCN(Cc1ccc(CCO)cc1)[C@@H]1CCc2ccccc21 ZINC001232776000 1098131681 /nfs/dbraw/zinc/13/16/81/1098131681.db2.gz DFTZXQAHCPITBJ-OAQYLSRUSA-N 0 3 305.421 3.344 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2csc(CC)n2)C[C@@H]1C ZINC001277720660 1098145136 /nfs/dbraw/zinc/14/51/36/1098145136.db2.gz BEJLEJZTZBPZFH-KBPBESRZSA-N 0 3 321.490 3.141 20 30 DGEDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC001232844807 1098151488 /nfs/dbraw/zinc/15/14/88/1098151488.db2.gz DSCVBSCOJIRTFS-STQMWFEESA-N 0 3 306.431 3.031 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(C)cc(O)c1)C2 ZINC001232881872 1098160749 /nfs/dbraw/zinc/16/07/49/1098160749.db2.gz QGJBMPLJYFYAAI-MOPGFXCFSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cnc(C)cc1C)C2 ZINC001233007729 1098201620 /nfs/dbraw/zinc/20/16/20/1098201620.db2.gz ZZRFEXNNRAGDQF-RTBURBONSA-N 0 3 316.445 3.025 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OCCCC)cc1 ZINC001175919293 1098207768 /nfs/dbraw/zinc/20/77/68/1098207768.db2.gz MOURSHAVQZZKPC-UHFFFAOYSA-N 0 3 324.852 3.328 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)c(O)c1)C2 ZINC001233232493 1098258454 /nfs/dbraw/zinc/25/84/54/1098258454.db2.gz HCVSUKQJBAJZDB-HKUYNNGSSA-N 0 3 317.429 3.027 20 30 DGEDHN COC(=O)/C=C/c1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC001233298413 1098281165 /nfs/dbraw/zinc/28/11/65/1098281165.db2.gz IYYFWLJPBSVITN-VAWYXSNFSA-N 0 3 320.392 3.376 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1sncc1C)C2 ZINC001233319715 1098287199 /nfs/dbraw/zinc/28/71/99/1098287199.db2.gz ZHHFXRHZGYYBGG-DLBZAZTESA-N 0 3 322.474 3.025 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CCC ZINC001233488164 1098346705 /nfs/dbraw/zinc/34/67/05/1098346705.db2.gz CRIVCEYHZSOVAU-ZEVQVBBLSA-N 0 3 322.493 3.248 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001233946723 1098463671 /nfs/dbraw/zinc/46/36/71/1098463671.db2.gz DOYRQLBLKOMRJE-MJGOQNOKSA-N 0 3 310.441 3.010 20 30 DGEDHN CN(CCCNC(=O)CC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC001233998278 1098473379 /nfs/dbraw/zinc/47/33/79/1098473379.db2.gz YIFNBXYDJGRIMK-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1CC(C)C ZINC001177201656 1098488867 /nfs/dbraw/zinc/48/88/67/1098488867.db2.gz JAQCLWPGBSAQOS-UHFFFAOYSA-N 0 3 308.853 3.347 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2c(cccc2C)o1 ZINC001177183939 1098493591 /nfs/dbraw/zinc/49/35/91/1098493591.db2.gz YJVHDUODZCJVFS-UHFFFAOYSA-N 0 3 306.793 3.203 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234246638 1098521170 /nfs/dbraw/zinc/52/11/70/1098521170.db2.gz RUPYKCMZXAAJJR-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001177382556 1098521864 /nfs/dbraw/zinc/52/18/64/1098521864.db2.gz PUPJFGGVUZYWSW-UHFFFAOYSA-N 0 3 317.820 3.144 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCOCC1CC1 ZINC001234275089 1098525994 /nfs/dbraw/zinc/52/59/94/1098525994.db2.gz BDRSBULDTVRAIW-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCCCC ZINC001234276854 1098526951 /nfs/dbraw/zinc/52/69/51/1098526951.db2.gz UQAINHYRPDNKJA-IRXDYDNUSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCCCCC ZINC001234277277 1098527016 /nfs/dbraw/zinc/52/70/16/1098527016.db2.gz YPGKIFJPORZYRO-MSOLQXFVSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1nc(C(C)C)oc1C ZINC001234305543 1098532876 /nfs/dbraw/zinc/53/28/76/1098532876.db2.gz SSWRUPMJBSPYFQ-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234378750 1098545264 /nfs/dbraw/zinc/54/52/64/1098545264.db2.gz VSIUETWVPDGFIL-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001234393305 1098546463 /nfs/dbraw/zinc/54/64/63/1098546463.db2.gz YLOFGHBAJTUYBR-OTWHNJEPSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2ncc(C)s2)CCCC1 ZINC001177547943 1098554397 /nfs/dbraw/zinc/55/43/97/1098554397.db2.gz JRPFACWMGSNPQK-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCF)CCCC1 ZINC001110212762 1098571546 /nfs/dbraw/zinc/57/15/46/1098571546.db2.gz NOUDPBUCRZXOQT-PMPSAXMXSA-N 0 3 308.441 3.204 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCc1ccc(C)cc1 ZINC001234604887 1098616150 /nfs/dbraw/zinc/61/61/50/1098616150.db2.gz XLCVVCLBJFLDGW-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001110214280 1098647052 /nfs/dbraw/zinc/64/70/52/1098647052.db2.gz CCNLBPZCZFURNF-XWSJACJDSA-N 0 3 312.457 3.478 20 30 DGEDHN N#CCCN1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234995922 1098738885 /nfs/dbraw/zinc/73/88/85/1098738885.db2.gz QRISSJLERCPFIN-UHFFFAOYSA-N 0 3 321.424 3.090 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@@H]1C ZINC001178324684 1098796137 /nfs/dbraw/zinc/79/61/37/1098796137.db2.gz XBESUENTRKMUBD-AAEUAGOBSA-N 0 3 312.866 3.447 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)[C@@H]1C ZINC001178587299 1098866765 /nfs/dbraw/zinc/86/67/65/1098866765.db2.gz GUVGLRCNOOCREQ-VKJFTORMSA-N 0 3 316.420 3.269 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001178576803 1098881893 /nfs/dbraw/zinc/88/18/93/1098881893.db2.gz ALQAKFIBHCAVRA-YOEHRIQHSA-N 0 3 318.848 3.223 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@@H]1C ZINC001178599988 1098884995 /nfs/dbraw/zinc/88/49/95/1098884995.db2.gz LXDILDDFXVFODG-JSGCOSHPSA-N 0 3 324.877 3.284 20 30 DGEDHN O=C1C=C2CN(Cc3cc4cccc(F)c4[nH]3)CCC2S1 ZINC001235236720 1098910106 /nfs/dbraw/zinc/91/01/06/1098910106.db2.gz GMTSHIGRWPWSMQ-AWEZNQCLSA-N 0 3 302.374 3.081 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2c(C)nsc2C)[C@@H]1C ZINC001178805652 1098936811 /nfs/dbraw/zinc/93/68/11/1098936811.db2.gz JGTPIJGVCPCWKF-BBRMVZONSA-N 0 3 321.490 3.195 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)C[C@@H]1CCN1CCC ZINC001235395786 1098994171 /nfs/dbraw/zinc/99/41/71/1098994171.db2.gz XZSJWDQQZKXKJF-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cc(C)ns1 ZINC001277947238 1099052527 /nfs/dbraw/zinc/05/25/27/1099052527.db2.gz JLDCBSJABSKRCK-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179306574 1099056900 /nfs/dbraw/zinc/05/69/00/1099056900.db2.gz IJCKTXCUTGQMEK-CABCVRRESA-N 0 3 321.465 3.207 20 30 DGEDHN CCCC[C@@H](CC)CN1CCO[C@H]2CN(CCCCC#N)C[C@H]21 ZINC001277949313 1099065773 /nfs/dbraw/zinc/06/57/73/1099065773.db2.gz VRHJSXVTWDRTKY-QRVBRYPASA-N 0 3 321.509 3.282 20 30 DGEDHN COC(=O)c1ccc(C2CN(Cc3ccccc3CC#N)C2)cc1 ZINC001235527558 1099076400 /nfs/dbraw/zinc/07/64/00/1099076400.db2.gz JNSDVCWKHVBWFW-UHFFFAOYSA-N 0 3 320.392 3.139 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCCCCNCc1cc(C)no1 ZINC001179339812 1099076712 /nfs/dbraw/zinc/07/67/12/1099076712.db2.gz LZXAFLYHYJLWGB-INIZCTEOSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001235549453 1099084346 /nfs/dbraw/zinc/08/43/46/1099084346.db2.gz DYLIZMLSJCQXKF-SFHVURJKSA-N 0 3 315.461 3.147 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001179384659 1099088100 /nfs/dbraw/zinc/08/81/00/1099088100.db2.gz SVDVFWIBPAVGIP-BJJXKVORSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)c(C)cc1F ZINC001235616359 1099100542 /nfs/dbraw/zinc/10/05/42/1099100542.db2.gz KGLNQCAHFSJXAZ-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C#CCN1CCC[C@@H](NCc2ccc(Cl)c(C)c2Cl)C1 ZINC001179579840 1099150377 /nfs/dbraw/zinc/15/03/77/1099150377.db2.gz WEMOXHXYJURUMX-CQSZACIVSA-N 0 3 311.256 3.489 20 30 DGEDHN CSc1ccc(CNCc2cccc3nccn32)cc1C#N ZINC001179583852 1099150757 /nfs/dbraw/zinc/15/07/57/1099150757.db2.gz KJDWQQKIWFZIPD-UHFFFAOYSA-N 0 3 308.410 3.218 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCN[C@H](c3ccccc3)C2)c1[O-] ZINC001235853182 1099212886 /nfs/dbraw/zinc/21/28/86/1099212886.db2.gz JGRDBZSKOVEBNV-IBGZPJMESA-N 0 3 308.425 3.267 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCN[C@H](c3ccccc3)C2)c1[O-] ZINC001235853182 1099212892 /nfs/dbraw/zinc/21/28/92/1099212892.db2.gz JGRDBZSKOVEBNV-IBGZPJMESA-N 0 3 308.425 3.267 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3ccc(F)c(C#N)c3)cn2)CC1 ZINC001235893909 1099238334 /nfs/dbraw/zinc/23/83/34/1099238334.db2.gz PVCWDKHBWBADET-UHFFFAOYSA-N 0 3 324.403 3.290 20 30 DGEDHN C#Cc1ccc(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)cc1 ZINC001235933690 1099268737 /nfs/dbraw/zinc/26/87/37/1099268737.db2.gz GNFLETBCGKHPDY-NHCUHLMSSA-N 0 3 322.427 3.370 20 30 DGEDHN Cc1ncc(C#N)c(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236005510 1099326549 /nfs/dbraw/zinc/32/65/49/1099326549.db2.gz SMIAWHMZKSGMDQ-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN Cc1cc(C#N)nc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236006297 1099327823 /nfs/dbraw/zinc/32/78/23/1099327823.db2.gz YENVVDVUYWEBLB-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C[C@@H](CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C)C1CC1 ZINC001180230558 1099348379 /nfs/dbraw/zinc/34/83/79/1099348379.db2.gz FWDGJHBVKPOLLN-ZWOKBUDYSA-N 0 3 324.468 3.053 20 30 DGEDHN CCCCCCCCS(=O)(=O)N(C)C1CCN(CC)CC1 ZINC001188009406 1099656897 /nfs/dbraw/zinc/65/68/97/1099656897.db2.gz CYZKFFIBZXVRSJ-UHFFFAOYSA-N 0 3 318.527 3.093 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001273553676 1099692041 /nfs/dbraw/zinc/69/20/41/1099692041.db2.gz FUHIFFFKXJTBQL-UHFFFAOYSA-N 0 3 320.864 3.031 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)COCCCCCCCC)[C@@H]2C1 ZINC001188212052 1099720420 /nfs/dbraw/zinc/72/04/20/1099720420.db2.gz BLTPMXMCZYXWKP-ZWKOTPCHSA-N 0 3 322.493 3.082 20 30 DGEDHN CCc1ccc(CN2CCN(c3ccccc3C#N)CC2)c(O)c1 ZINC001236784565 1099783511 /nfs/dbraw/zinc/78/35/11/1099783511.db2.gz WYFQSSFEOZLMQV-UHFFFAOYSA-N 0 3 321.424 3.148 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(CSCC)cc1 ZINC001205392681 1099848618 /nfs/dbraw/zinc/84/86/18/1099848618.db2.gz FIXNIMROAUVWRL-UHFFFAOYSA-N 0 3 319.474 3.016 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001189279938 1099999392 /nfs/dbraw/zinc/99/93/92/1099999392.db2.gz OCFYGYGICVYYOY-INIZCTEOSA-N 0 3 306.837 3.339 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC3(C[C@H]3C(=O)N3CC=CC3)C2)CC1 ZINC001278073295 1100048070 /nfs/dbraw/zinc/04/80/70/1100048070.db2.gz URFKDMWFCIWACE-MSOLQXFVSA-N 0 3 312.457 3.009 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](CCC)c2ccccn2)CC1 ZINC001278070743 1100056254 /nfs/dbraw/zinc/05/62/54/1100056254.db2.gz AJPGFQFYGAZEFQ-INIZCTEOSA-N 0 3 315.461 3.122 20 30 DGEDHN CCC[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189462683 1100065150 /nfs/dbraw/zinc/06/51/50/1100065150.db2.gz XTIAPVZSDGVEDH-MAUKXSAKSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc2ccccc21 ZINC001273584568 1100098962 /nfs/dbraw/zinc/09/89/62/1100098962.db2.gz UJSNAIVYKQSJRU-UHFFFAOYSA-N 0 3 308.425 3.257 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189706457 1100116760 /nfs/dbraw/zinc/11/67/60/1100116760.db2.gz NIIPSTCTWKQMIX-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN COC(=O)CCN(Cc1cc(C#N)c(F)cc1F)C1CCCC1 ZINC001237526716 1100159971 /nfs/dbraw/zinc/15/99/71/1100159971.db2.gz QJCBAOULKKEABD-UHFFFAOYSA-N 0 3 322.355 3.144 20 30 DGEDHN CCCCCCCCCC(=O)N1CC[C@H]2CN(CCOC)C[C@H]21 ZINC001189936284 1100163872 /nfs/dbraw/zinc/16/38/72/1100163872.db2.gz CBZJMMXDCVOQOJ-ZWKOTPCHSA-N 0 3 324.509 3.306 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001190046114 1100192806 /nfs/dbraw/zinc/19/28/06/1100192806.db2.gz FEQGKINBEJVNIL-QGZVFWFLSA-N 0 3 318.848 3.032 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C(CC(C)C)CC(C)C)[C@@H]2C1 ZINC001190394328 1100258520 /nfs/dbraw/zinc/25/85/20/1100258520.db2.gz NEPTYDRCPFPBNQ-FUHWJXTLSA-N 0 3 306.494 3.414 20 30 DGEDHN CCCOc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001237904512 1100287477 /nfs/dbraw/zinc/28/74/77/1100287477.db2.gz BRLANXFSXLQWQL-MRXNPFEDSA-N 0 3 321.417 3.389 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C=C)CC)C1CCN(CC(=C)C)CC1 ZINC001278176967 1100328651 /nfs/dbraw/zinc/32/86/51/1100328651.db2.gz FUBKMRXZZVCYNT-KRWDZBQOSA-N 0 3 302.462 3.091 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151938086 1100412733 /nfs/dbraw/zinc/41/27/33/1100412733.db2.gz ZIUHRDUERAOLCX-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001191265923 1100439017 /nfs/dbraw/zinc/43/90/17/1100439017.db2.gz HDHUWZPOKHGAPF-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC001191275145 1100442106 /nfs/dbraw/zinc/44/21/06/1100442106.db2.gz NDNAWGZSJKKVHK-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191421839 1100464297 /nfs/dbraw/zinc/46/42/97/1100464297.db2.gz CYGNUGLPIXESII-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191837666 1100531928 /nfs/dbraw/zinc/53/19/28/1100531928.db2.gz BFVGKDMSTGITSM-KTZABMDBSA-N 0 3 324.468 3.426 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001191838619 1100532592 /nfs/dbraw/zinc/53/25/92/1100532592.db2.gz KHJOOAKCCANLAN-SFHVURJKSA-N 0 3 316.420 3.052 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001191912457 1100536361 /nfs/dbraw/zinc/53/63/61/1100536361.db2.gz OXVXKEHCDNVSIR-QZTJIDSGSA-N 0 3 324.509 3.184 20 30 DGEDHN N#Cc1ccc(/C=C/c2cncc([C@@H]3CN4CCC3CC4)n2)cc1 ZINC001239292299 1100622966 /nfs/dbraw/zinc/62/29/66/1100622966.db2.gz QOBSDOXSDSPOJS-ZMBJWTFHSA-N 0 3 316.408 3.328 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001278294831 1100643339 /nfs/dbraw/zinc/64/33/39/1100643339.db2.gz WSGZCACUPZGJCW-CJNGLKHVSA-N 0 3 317.458 3.055 20 30 DGEDHN CCCCCCCCCNC(=S)NC[C@H]1CCNC[C@H]1F ZINC001239374416 1100647422 /nfs/dbraw/zinc/64/74/22/1100647422.db2.gz WCKMCVIMPVYGAM-HUUCEWRRSA-N 0 3 317.518 3.149 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001194164934 1100879034 /nfs/dbraw/zinc/87/90/34/1100879034.db2.gz VLJPUYKEYSLWRE-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C[C@@H](C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1)c1ccccc1 ZINC001194183492 1100886756 /nfs/dbraw/zinc/88/67/56/1100886756.db2.gz QDAGZVNXFYMYEI-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCOC(=O)N1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001194300754 1100907999 /nfs/dbraw/zinc/90/79/99/1100907999.db2.gz OAIIZTRDGNWVEF-MRXNPFEDSA-N 0 3 318.417 3.279 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2ccc(C)s2)C1 ZINC001194565923 1100968149 /nfs/dbraw/zinc/96/81/49/1100968149.db2.gz BUILKPQTNZFDDB-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195173556 1101092687 /nfs/dbraw/zinc/09/26/87/1101092687.db2.gz BRLFJYJFFGKPMI-KRWDZBQOSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccncc2F)CC1 ZINC001195404262 1101129536 /nfs/dbraw/zinc/12/95/36/1101129536.db2.gz OYPJVQQHMBBTCO-UHFFFAOYSA-N 0 3 319.424 3.115 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccc(F)cn2)CC1 ZINC001195549723 1101156218 /nfs/dbraw/zinc/15/62/18/1101156218.db2.gz OSCKGFQDAIVTGE-UHFFFAOYSA-N 0 3 321.440 3.339 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2nc(C(C)C)oc2C)CC1 ZINC001195838629 1101211868 /nfs/dbraw/zinc/21/18/68/1101211868.db2.gz AAXHOUDHNQSXTO-UHFFFAOYSA-N 0 3 319.449 3.221 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2coc(C(C)(C)C)n2)CC1 ZINC001195838988 1101212039 /nfs/dbraw/zinc/21/20/39/1101212039.db2.gz HMRPFZISTJYFGA-UHFFFAOYSA-N 0 3 319.449 3.086 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](OCC)C2CC2)CC1 ZINC001195880554 1101216647 /nfs/dbraw/zinc/21/66/47/1101216647.db2.gz WDBQEERINJRPJG-SFHVURJKSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCCN(CCCCCOC)CC1 ZINC001195966377 1101225772 /nfs/dbraw/zinc/22/57/72/1101225772.db2.gz BBHAIBDNEYPVPF-UHFFFAOYSA-N 0 3 322.493 3.106 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001196011144 1101235732 /nfs/dbraw/zinc/23/57/32/1101235732.db2.gz ZSBMWAOVOZVESL-ROUUACIJSA-N 0 3 324.509 3.449 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001196830497 1101402545 /nfs/dbraw/zinc/40/25/45/1101402545.db2.gz KWKWTMKMBXMVQM-ZWKOTPCHSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196854770 1101418306 /nfs/dbraw/zinc/41/83/06/1101418306.db2.gz TWWYZLBFVUBAME-SJORKVTESA-N 0 3 304.478 3.479 20 30 DGEDHN COc1cc(C#N)ccc1-c1cc(OC2CCN(C)CC2)ccn1 ZINC001241397109 1101431418 /nfs/dbraw/zinc/43/14/18/1101431418.db2.gz UBBNYFGAXLRANP-UHFFFAOYSA-N 0 3 323.396 3.102 20 30 DGEDHN C=CCCC1(C(=O)N2CCCN(CCCCCOC)CC2)CC1 ZINC001197062732 1101467444 /nfs/dbraw/zinc/46/74/44/1101467444.db2.gz XOHJSERZWVFQPV-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CCCOC(C)C)CC2)CCC1 ZINC001197076090 1101472341 /nfs/dbraw/zinc/47/23/41/1101472341.db2.gz BENKEPVIDLMQPD-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(CC)c1 ZINC001110493358 1101574521 /nfs/dbraw/zinc/57/45/21/1101574521.db2.gz NLWWSVMZNNXBCI-AQNXPRMDSA-N 0 3 324.468 3.274 20 30 DGEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001197715714 1101636964 /nfs/dbraw/zinc/63/69/64/1101636964.db2.gz KZWHBSKVQIKOIZ-RCCFBDPRSA-N 0 3 324.509 3.111 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)C1 ZINC001197700921 1101646431 /nfs/dbraw/zinc/64/64/31/1101646431.db2.gz AZAAVTVPQDWQTI-BZUAXINKSA-N 0 3 324.424 3.344 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ncoc2C(C)(C)C)CC1 ZINC001197729058 1101654120 /nfs/dbraw/zinc/65/41/20/1101654120.db2.gz BWHQUNJFUVBKIJ-UHFFFAOYSA-N 0 3 319.449 3.086 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)C(CC)CC)C2 ZINC001278336591 1101723669 /nfs/dbraw/zinc/72/36/69/1101723669.db2.gz RJRSBRGBWYCWEE-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(C)cc1C ZINC001198016130 1101730307 /nfs/dbraw/zinc/73/03/07/1101730307.db2.gz NXJASSRPFJOLHQ-HNNXBMFYSA-N 0 3 303.475 3.240 20 30 DGEDHN C=CC[C@H](C(=O)N1CCCN(CCCF)CC1)c1ccccc1 ZINC001198190514 1101783183 /nfs/dbraw/zinc/78/31/83/1101783183.db2.gz JBRMJAFNHYEZMN-SFHVURJKSA-N 0 3 318.436 3.240 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CCCOCC)CC2)CCCC1 ZINC001198423032 1101851894 /nfs/dbraw/zinc/85/18/94/1101851894.db2.gz INHPISXGLLPDBN-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C#CC[C@H](CC(=O)N1CCCN(CC(=C)C)CC1)c1ccccc1 ZINC001198394869 1101856614 /nfs/dbraw/zinc/85/66/14/1101856614.db2.gz NWBJDIPXGUZXAL-HXUWFJFHSA-N 0 3 324.468 3.294 20 30 DGEDHN C=CCCCN(CC)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC001198458416 1101862107 /nfs/dbraw/zinc/86/21/07/1101862107.db2.gz SCFFJUOLQXDEQW-AWEZNQCLSA-N 0 3 324.415 3.300 20 30 DGEDHN C=CCC[C@H](C)N[C@@H](CNC(=O)CC)c1ccccc1OC ZINC001198444586 1101870522 /nfs/dbraw/zinc/87/05/22/1101870522.db2.gz SDDUWRFIFJEPHR-HOCLYGCPSA-N 0 3 304.434 3.207 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CC(C)C)c1ccccc1OC ZINC001198499682 1101882215 /nfs/dbraw/zinc/88/22/15/1101882215.db2.gz PHNSIRZXKWOYLT-INIZCTEOSA-N 0 3 304.434 3.064 20 30 DGEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1SC ZINC001198524088 1101893128 /nfs/dbraw/zinc/89/31/28/1101893128.db2.gz CQUWYFQRMWFHKL-CQSZACIVSA-N 0 3 302.443 3.225 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198740392 1101963624 /nfs/dbraw/zinc/96/36/24/1101963624.db2.gz DQLCJNAJQCZTAT-INIZCTEOSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198740208 1101964336 /nfs/dbraw/zinc/96/43/36/1101964336.db2.gz BEORMWYSIVKNGW-OAHLLOKOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CCC(=C)C)c1ccccc1OC ZINC001198752615 1101977913 /nfs/dbraw/zinc/97/79/13/1101977913.db2.gz RBJYIZDDDKYGSI-QGZVFWFLSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C(C)(C)C=C)c1ccccc1OC ZINC001198835120 1101991102 /nfs/dbraw/zinc/99/11/02/1101991102.db2.gz RCXMVQONSDIMSI-INIZCTEOSA-N 0 3 316.445 3.230 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198856152 1102000161 /nfs/dbraw/zinc/00/01/61/1102000161.db2.gz FXIDEPOQRPAVNK-RDJZCZTQSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](NCC)c2ccccc2OC)CC1 ZINC001198885477 1102022837 /nfs/dbraw/zinc/02/28/37/1102022837.db2.gz JDUHIIJARQFIGN-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1 ZINC001273792178 1102229808 /nfs/dbraw/zinc/22/98/08/1102229808.db2.gz KHQFDYYBXCJSBP-NRFANRHFSA-N 0 3 322.452 3.201 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C)CC ZINC001273812783 1102301546 /nfs/dbraw/zinc/30/15/46/1102301546.db2.gz ALIYZIGLYCTTPC-CRAIPNDOSA-N 0 3 300.446 3.152 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001273833873 1102364527 /nfs/dbraw/zinc/36/45/27/1102364527.db2.gz RGMOZMFQPBCWCU-VTSXBNNFSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001278354278 1102395432 /nfs/dbraw/zinc/39/54/32/1102395432.db2.gz BBDOETSYBISYIE-TZMCWYRMSA-N 0 3 308.372 3.010 20 30 DGEDHN CC#Cc1cncc(-c2ccc(N3CCN(C(C)C)CC3)nc2)c1 ZINC001242940501 1102431456 /nfs/dbraw/zinc/43/14/56/1102431456.db2.gz KFZLRORGDBLRIB-UHFFFAOYSA-N 0 3 320.440 3.045 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@H](C)CC)CC2 ZINC001201503148 1102613676 /nfs/dbraw/zinc/61/36/76/1102613676.db2.gz OBELOQYSZDAJFJ-OAHLLOKOSA-N 0 3 317.477 3.400 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccc(C#N)cc3F)cc2)CC1 ZINC001201569469 1102655759 /nfs/dbraw/zinc/65/57/59/1102655759.db2.gz FVIVXSIEVXNBDH-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN CCCCCCCCCCCN1CCN(CC(=O)OC)CC1 ZINC001201630475 1102666093 /nfs/dbraw/zinc/66/60/93/1102666093.db2.gz AHBUAICATICICZ-UHFFFAOYSA-N 0 3 312.498 3.308 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001201798134 1102730291 /nfs/dbraw/zinc/73/02/91/1102730291.db2.gz PRJKDDJIOIRQRE-MRXNPFEDSA-N 0 3 303.450 3.246 20 30 DGEDHN O=C(Nc1ccccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001202059274 1102803367 /nfs/dbraw/zinc/80/33/67/1102803367.db2.gz QZSNLTVGYKZYKT-GFCCVEGCSA-N 0 3 308.790 3.146 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202131411 1102847750 /nfs/dbraw/zinc/84/77/50/1102847750.db2.gz XESRUHFSGSSWHS-GMCKNXKJSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202131412 1102849152 /nfs/dbraw/zinc/84/91/52/1102849152.db2.gz XESRUHFSGSSWHS-IXJPEXDMSA-N 0 3 319.276 3.488 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc(C#N)c(CC#N)c3)c2)CC1 ZINC001243670495 1102906090 /nfs/dbraw/zinc/90/60/90/1102906090.db2.gz MDEMZUMIOQJBSJ-UHFFFAOYSA-N 0 3 316.408 3.043 20 30 DGEDHN O=C(Nc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001202373560 1102966670 /nfs/dbraw/zinc/96/66/70/1102966670.db2.gz OMHSBBKMJPGXMT-GFCCVEGCSA-N 0 3 308.790 3.146 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cccs1)C2 ZINC001111078190 1103036409 /nfs/dbraw/zinc/03/64/09/1103036409.db2.gz NEMRDDSQRKTDHR-SRABZTEZSA-N 0 3 318.486 3.224 20 30 DGEDHN CCN1CCN(c2ccc(NC3=CC[C@H](C#N)CC3)cc2)CC1 ZINC001212861055 1103095335 /nfs/dbraw/zinc/09/53/35/1103095335.db2.gz MTCQUFSWDCTYIA-INIZCTEOSA-N 0 3 310.445 3.448 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cccc(Cl)c1F ZINC001488666859 1103097167 /nfs/dbraw/zinc/09/71/67/1103097167.db2.gz IABPJYKJMGCBLL-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)CC(C)C ZINC001325707548 1103105167 /nfs/dbraw/zinc/10/51/67/1103105167.db2.gz BSUQKLDLGRVALI-UHFFFAOYSA-N 0 3 314.473 3.310 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nocc1C)C2 ZINC001111231730 1103107723 /nfs/dbraw/zinc/10/77/23/1103107723.db2.gz MJFIOPJLUKTLTH-OAGGEKHMSA-N 0 3 317.433 3.065 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)C1CC1)C2 ZINC001095757987 1103136012 /nfs/dbraw/zinc/13/60/12/1103136012.db2.gz MJOJQMYWIFNOKG-FYQPLNBISA-N 0 3 324.468 3.478 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)O ZINC001111315847 1103207359 /nfs/dbraw/zinc/20/73/59/1103207359.db2.gz PSBQJQZGYCRMMI-MLHJIOFPSA-N 0 3 324.509 3.229 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ccccn1 ZINC001488988142 1103234173 /nfs/dbraw/zinc/23/41/73/1103234173.db2.gz OIWPQZUUJSUZSB-CJNGLKHVSA-N 0 3 321.852 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001489084054 1103263139 /nfs/dbraw/zinc/26/31/39/1103263139.db2.gz GNTNXYLXCMFFCV-ZKDJXDLUSA-N 0 3 322.880 3.264 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(F)cc2F)[C@H]1CC ZINC001489139880 1103297372 /nfs/dbraw/zinc/29/73/72/1103297372.db2.gz YUYFHWPKVPXPTM-DLBZAZTESA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](F)C1 ZINC001326458191 1103325051 /nfs/dbraw/zinc/32/50/51/1103325051.db2.gz MOJPHFGMTPQHML-MAUKXSAKSA-N 0 3 318.436 3.449 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)n2cccc2)cc1 ZINC001326490944 1103337566 /nfs/dbraw/zinc/33/75/66/1103337566.db2.gz UIBBLXBRPFSOQK-DLBZAZTESA-N 0 3 323.440 3.039 20 30 DGEDHN C#Cc1ccc(CNCc2c[nH]nc2-c2cccc(OC)c2)cc1 ZINC001202475315 1103458302 /nfs/dbraw/zinc/45/83/02/1103458302.db2.gz TWYVETCCOYNEMN-UHFFFAOYSA-N 0 3 317.392 3.356 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001276333150 1103505182 /nfs/dbraw/zinc/50/51/82/1103505182.db2.gz OVZPKLCSABWBGB-UHFFFAOYSA-N 0 3 318.848 3.450 20 30 DGEDHN C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001276342883 1103516257 /nfs/dbraw/zinc/51/62/57/1103516257.db2.gz SPMINLSVNVZLRR-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C(C)(C)CC ZINC001490343403 1103555825 /nfs/dbraw/zinc/55/58/25/1103555825.db2.gz RPXBYSPFSZLCMO-UHFFFAOYSA-N 0 3 314.473 3.303 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]cc1C ZINC001490309513 1103562336 /nfs/dbraw/zinc/56/23/36/1103562336.db2.gz KSBKULJIBSAOCR-ZFWWWQNUSA-N 0 3 309.841 3.048 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001490450540 1103609210 /nfs/dbraw/zinc/60/92/10/1103609210.db2.gz MMOPEHYODNXJLK-ROUUACIJSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001490418701 1103617616 /nfs/dbraw/zinc/61/76/16/1103617616.db2.gz OVSPGXUOZDDVBR-UHFFFAOYSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC(C)(C)C=C)C1 ZINC001327308612 1103620939 /nfs/dbraw/zinc/62/09/39/1103620939.db2.gz PNOVATFWEVSLAF-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN COc1ccc(-c2cc(OC3CCN(C)CC3)ccn2)cc1C#N ZINC001244708495 1103643281 /nfs/dbraw/zinc/64/32/81/1103643281.db2.gz TUOROFICMZPMSU-UHFFFAOYSA-N 0 3 323.396 3.102 20 30 DGEDHN C=CCCC(=O)N1CCC(CC)(NCc2ncc(C)s2)CC1 ZINC001327438994 1103643734 /nfs/dbraw/zinc/64/37/34/1103643734.db2.gz ZFHWKWMWUHSJSA-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001490558408 1103655007 /nfs/dbraw/zinc/65/50/07/1103655007.db2.gz GVEZALKALKHWRB-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1CC[C@H](C)F ZINC001327506654 1103665285 /nfs/dbraw/zinc/66/52/85/1103665285.db2.gz HJXZRVKOBZRJDM-MAUKXSAKSA-N 0 3 318.436 3.244 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC1(C)CC1 ZINC001327507227 1103665615 /nfs/dbraw/zinc/66/56/15/1103665615.db2.gz JBOBKSZZOJKLKT-GOSISDBHSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001490599232 1103673970 /nfs/dbraw/zinc/67/39/70/1103673970.db2.gz QEPXQVGWFGXOPD-IUYMFKLXSA-N 0 3 322.452 3.084 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001490699380 1103709893 /nfs/dbraw/zinc/70/98/93/1103709893.db2.gz MWLNSANIFPTGQX-FXAWDEMLSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(Cl)c1)C2 ZINC001095960401 1103713576 /nfs/dbraw/zinc/71/35/76/1103713576.db2.gz IMKHMLRFLNKEDD-PVAVHDDUSA-N 0 3 316.832 3.007 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC001327721933 1103716045 /nfs/dbraw/zinc/71/60/45/1103716045.db2.gz OYHMJZMFSUGWRO-IBGZPJMESA-N 0 3 311.429 3.266 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2cc3ccccc3o2)[C@@H](C)C1 ZINC001327842181 1103738903 /nfs/dbraw/zinc/73/89/03/1103738903.db2.gz HYCJREVIEBDBLY-YJBOKZPZSA-N 0 3 324.424 3.173 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc[nH]c3c1)C2 ZINC001096070475 1103749710 /nfs/dbraw/zinc/74/97/10/1103749710.db2.gz LVPRUEURMPGKAW-NJAFHUGGSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1C(C)C)C2 ZINC001110658360 1103774991 /nfs/dbraw/zinc/77/49/91/1103774991.db2.gz TVCXFPLHGGVYPW-BMFZPTHFSA-N 0 3 317.433 3.099 20 30 DGEDHN CCCCCCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC ZINC001110672390 1103782695 /nfs/dbraw/zinc/78/26/95/1103782695.db2.gz SXNQSIVJCHYJES-ZACQAIPSSA-N 0 3 310.482 3.105 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3sccc3c1)C2 ZINC001096268168 1103791630 /nfs/dbraw/zinc/79/16/30/1103791630.db2.gz LBFPLWYOZUYWBP-IKGGRYGDSA-N 0 3 324.449 3.260 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccc(C)cc1)C2 ZINC001096374307 1103813479 /nfs/dbraw/zinc/81/34/79/1103813479.db2.gz SQWRJKMWWDPPLR-YSHGAJCASA-N 0 3 312.457 3.396 20 30 DGEDHN C[C@@H]1CCc2nc(CNCCc3ccc(C#N)cc3)sc2C1 ZINC001328060391 1103825681 /nfs/dbraw/zinc/82/56/81/1103825681.db2.gz IMJKCFPKKJMEOW-CYBMUJFWSA-N 0 3 311.454 3.472 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3cccc(C#N)c3F)cn2)CC1 ZINC001245070109 1103839943 /nfs/dbraw/zinc/83/99/43/1103839943.db2.gz CIOOZNMAGLJGBF-UHFFFAOYSA-N 0 3 324.403 3.290 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114325557 1103856118 /nfs/dbraw/zinc/85/61/18/1103856118.db2.gz BEYOELZBMXMJAS-FVQHAEBGSA-N 0 3 316.470 3.063 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114343603 1103868964 /nfs/dbraw/zinc/86/89/64/1103868964.db2.gz QYNRBHZINYCYHW-CKNFYHOISA-N 0 3 316.420 3.289 20 30 DGEDHN C=CCC[C@H](O)CNCc1cc(F)ccc1OC(F)(F)F ZINC001252590151 1103878446 /nfs/dbraw/zinc/87/84/46/1103878446.db2.gz ZMSYAQVVPAGUKB-LBPRGKRZSA-N 0 3 307.287 3.141 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cc(OC(F)(F)F)ccc1F ZINC001252615919 1103887075 /nfs/dbraw/zinc/88/70/75/1103887075.db2.gz IMJDLMCUPPELQU-LLVKDONJSA-N 0 3 307.287 3.141 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)C2 ZINC001096674809 1103900011 /nfs/dbraw/zinc/90/00/11/1103900011.db2.gz NWIXZMOVXZDYOU-BDXSIMOUSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC2(C=C)CCCCC2)C[C@H]1C ZINC001328280280 1103901359 /nfs/dbraw/zinc/90/13/59/1103901359.db2.gz SLWNIQCYRZYAPJ-IAGOWNOFSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC ZINC001111435674 1103902137 /nfs/dbraw/zinc/90/21/37/1103902137.db2.gz YSNQBSKNFAQKHE-MANSERQUSA-N 0 3 312.457 3.163 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@H](C)NCc1c(F)cccc1Cl ZINC001328343191 1103917226 /nfs/dbraw/zinc/91/72/26/1103917226.db2.gz WLOMEHVUUMNWRD-ZDUSSCGKSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1nc(C)sc1C ZINC001328400284 1103933309 /nfs/dbraw/zinc/93/33/09/1103933309.db2.gz SGRBNCNYIYGAIR-SJCJKPOMSA-N 0 3 323.506 3.347 20 30 DGEDHN CC(C)=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C#CC(C)(C)C ZINC001328686923 1104021307 /nfs/dbraw/zinc/02/13/07/1104021307.db2.gz RPIKWJCPIZLTIK-UYAOXDASSA-N 0 3 324.468 3.374 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CC)CCCC1 ZINC001328692846 1104023681 /nfs/dbraw/zinc/02/36/81/1104023681.db2.gz AQLLNWAJLLJMDU-RTBURBONSA-N 0 3 324.468 3.352 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1ccccc1F ZINC001328780823 1104067772 /nfs/dbraw/zinc/06/77/72/1104067772.db2.gz OEFGYBUOOCWZPP-CABCVRRESA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202591153 1104068593 /nfs/dbraw/zinc/06/85/93/1104068593.db2.gz NXCZXLNHNVGDFJ-MOPGFXCFSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001202592650 1104070736 /nfs/dbraw/zinc/07/07/36/1104070736.db2.gz VHKQHGPSXCPYGO-IRXDYDNUSA-N 0 3 316.420 3.309 20 30 DGEDHN N#Cc1cccc(C2(NCc3cccn3C3CC3)CCOCC2)c1 ZINC001328853680 1104090212 /nfs/dbraw/zinc/09/02/12/1104090212.db2.gz XHBICMAYOHGNCA-UHFFFAOYSA-N 0 3 321.424 3.490 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C/C(C)(C)C)C12CCC2 ZINC001202664503 1104106326 /nfs/dbraw/zinc/10/63/26/1104106326.db2.gz OOHMIQHKVLEFKK-VAIDBEGPSA-N 0 3 310.869 3.358 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001329012747 1104124664 /nfs/dbraw/zinc/12/46/64/1104124664.db2.gz GOTQTDOQUKFGSR-KGLIPLIRSA-N 0 3 322.399 3.141 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](C)[C@@H](C)NC(=O)C#CC1CC1 ZINC001329031638 1104131080 /nfs/dbraw/zinc/13/10/80/1104131080.db2.gz CIGGXJFAJKXSGF-ZIAGYGMSSA-N 0 3 318.848 3.045 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cc(C)ns1 ZINC001329103558 1104153032 /nfs/dbraw/zinc/15/30/32/1104153032.db2.gz LWSAULPZWLSXJV-QWHCGFSZSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(F)=C(C)C)C12CCC2 ZINC001202735622 1104186642 /nfs/dbraw/zinc/18/66/42/1104186642.db2.gz MWGIEYXKFCNWKI-RYUDHWBXSA-N 0 3 300.805 3.019 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CCC(NCc2nccs2)CC1 ZINC001329230630 1104194510 /nfs/dbraw/zinc/19/45/10/1104194510.db2.gz KTURDIRLGUHQIZ-UHFFFAOYSA-N 0 3 321.490 3.359 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001278414819 1104202600 /nfs/dbraw/zinc/20/26/00/1104202600.db2.gz DWCVAVJVWASKTB-APWZRJJASA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C3(CF)CCC3)cc2C1 ZINC001274035224 1104229504 /nfs/dbraw/zinc/22/95/04/1104229504.db2.gz GURCYOYMVWMTPL-UHFFFAOYSA-N 0 3 316.420 3.334 20 30 DGEDHN C=C(C)CN1c2ccccc2C2(CCN(CCCC#N)CC2)C1=O ZINC001274039367 1104231127 /nfs/dbraw/zinc/23/11/27/1104231127.db2.gz CHSSXSYLMRACER-UHFFFAOYSA-N 0 3 323.440 3.247 20 30 DGEDHN COC(=O)c1ccc(Nc2ccc3nc(C)[nH]c3c2)c(C#N)c1 ZINC001213076265 1104242591 /nfs/dbraw/zinc/24/25/91/1104242591.db2.gz OAMUZDMFZQTXGG-UHFFFAOYSA-N 0 3 306.325 3.273 20 30 DGEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C[C@@H]2C=CCCC2)cc1 ZINC001274120361 1104252548 /nfs/dbraw/zinc/25/25/48/1104252548.db2.gz ZKEDMUDYIGBRIT-VGOKWCNXSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329450046 1104268712 /nfs/dbraw/zinc/26/87/12/1104268712.db2.gz KENJWGASRYDXRA-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001329538314 1104307995 /nfs/dbraw/zinc/30/79/95/1104307995.db2.gz BMRLQGCGVMTGPF-KBXCAEBGSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(OC)c1 ZINC001329562416 1104320302 /nfs/dbraw/zinc/32/03/02/1104320302.db2.gz XLLMZPPVHKAPCE-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C(F)(F)F)s1 ZINC001329628771 1104355118 /nfs/dbraw/zinc/35/51/18/1104355118.db2.gz UHFQPBSUSNEZPC-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCc1ccc(Cl)cc1 ZINC001320034740 1104366824 /nfs/dbraw/zinc/36/68/24/1104366824.db2.gz WTGYHLDESKGDGW-UHFFFAOYSA-N 0 3 322.880 3.485 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001329951483 1104435114 /nfs/dbraw/zinc/43/51/14/1104435114.db2.gz HEPZPMNCTYDZPM-MSOLQXFVSA-N 0 3 318.436 3.114 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001330030874 1104458198 /nfs/dbraw/zinc/45/81/98/1104458198.db2.gz HEWPZZFJJLQVNP-INIZCTEOSA-N 0 3 314.473 3.452 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C3CC3)cc2)C1=O ZINC001274816424 1104501220 /nfs/dbraw/zinc/50/12/20/1104501220.db2.gz LMRCAFJKHUZMAL-FQEVSTJZSA-N 0 3 310.441 3.317 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C=C1CCC1 ZINC001274849075 1104518412 /nfs/dbraw/zinc/51/84/12/1104518412.db2.gz YMGLRRUCHJRACP-IBGZPJMESA-N 0 3 310.441 3.388 20 30 DGEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@@H](C)CCC)CC2)C1 ZINC001274868425 1104524821 /nfs/dbraw/zinc/52/48/21/1104524821.db2.gz YZSRWLXQWQHIEF-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(CC1)CN(CCC(=C)C)CCO2 ZINC001274867615 1104529580 /nfs/dbraw/zinc/52/95/80/1104529580.db2.gz LMQLHRAFMCTHRY-UHFFFAOYSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCCCN1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001274974288 1104564103 /nfs/dbraw/zinc/56/41/03/1104564103.db2.gz FXDNFWUOLJTPKG-GASCZTMLSA-N 0 3 320.399 3.070 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3(CC=C)CCCC3)C2)C1 ZINC001330513985 1104565799 /nfs/dbraw/zinc/56/57/99/1104565799.db2.gz HMUUJQVBCWVTAZ-UHFFFAOYSA-N 0 3 302.462 3.233 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001275077473 1104615296 /nfs/dbraw/zinc/61/52/96/1104615296.db2.gz AFJSCUUIEZLBOZ-HNNXBMFYSA-N 0 3 320.864 3.366 20 30 DGEDHN CCN1CC2(C1)CN(Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC001275086838 1104619047 /nfs/dbraw/zinc/61/90/47/1104619047.db2.gz PYZAXIPSZGVZJD-UHFFFAOYSA-N 0 3 317.436 3.363 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)CCCNCc1ccc(C#N)cc1F ZINC001330733183 1104634296 /nfs/dbraw/zinc/63/42/96/1104634296.db2.gz LPXJAUGBRDCLSL-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1F ZINC001275121992 1104636714 /nfs/dbraw/zinc/63/67/14/1104636714.db2.gz UPFGOICNGSSLDL-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1=CCCCCC1 ZINC001275127586 1104638292 /nfs/dbraw/zinc/63/82/92/1104638292.db2.gz BXUJUBRZBBLPMD-ZDUSSCGKSA-N 0 3 317.458 3.105 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1cccc(Cl)c1 ZINC001275129479 1104640662 /nfs/dbraw/zinc/64/06/62/1104640662.db2.gz WFYIFTFGVHYEEC-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN CCCCCCCCN1CC2(C1)CN(Cc1cc(C)nn1C)C2 ZINC001275131444 1104645570 /nfs/dbraw/zinc/64/55/70/1104645570.db2.gz RODQKGMRERTPAP-UHFFFAOYSA-N 0 3 318.509 3.207 20 30 DGEDHN CC#CCCCC(=O)N1CCC([C@H]2CCCN(CCF)C2)CC1 ZINC001275183384 1104669069 /nfs/dbraw/zinc/66/90/69/1104669069.db2.gz FFMGVHDLRRGIIA-SFHVURJKSA-N 0 3 322.468 3.100 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](CC)CC(C)C)CCC[C@H]12 ZINC001278466895 1104684338 /nfs/dbraw/zinc/68/43/38/1104684338.db2.gz MBEAXWBWAPYROH-JENIJYKNSA-N 0 3 304.478 3.195 20 30 DGEDHN C[C@@H](NC(=O)CCC1CCC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001275377892 1104741800 /nfs/dbraw/zinc/74/18/00/1104741800.db2.gz VAVQIMKCPSOZFZ-QWHCGFSZSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2ccc(F)cc2)C1 ZINC001275647945 1104846348 /nfs/dbraw/zinc/84/63/48/1104846348.db2.gz FLTLGDZKLWHFBF-CQSZACIVSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNCc1cc(C)no1 ZINC001275696684 1104869059 /nfs/dbraw/zinc/86/90/59/1104869059.db2.gz WHHWJPVYSWQHNK-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001275818059 1104921222 /nfs/dbraw/zinc/92/12/22/1104921222.db2.gz GPDZQRPVAJYIJR-KGLIPLIRSA-N 0 3 322.399 3.266 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1csc(C(F)(F)F)c1 ZINC001275875115 1104941058 /nfs/dbraw/zinc/94/10/58/1104941058.db2.gz YFQQBDXILJXASD-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001275897223 1104948104 /nfs/dbraw/zinc/94/81/04/1104948104.db2.gz JFTSDVLQHKYVSV-ZDUSSCGKSA-N 0 3 308.853 3.489 20 30 DGEDHN C#CCCCN1C[C@@H]2CN(C[C@H](CC)CCCC)C[C@H](C1)O2 ZINC001275975388 1104975607 /nfs/dbraw/zinc/97/56/07/1104975607.db2.gz AUTRIRTWQZSJKU-QRVBRYPASA-N 0 3 306.494 3.001 20 30 DGEDHN C=CCCCCCN1CC2(C1)CN(C(=O)[C@@H]1C=CCC=C1C)C2 ZINC001276034700 1104992050 /nfs/dbraw/zinc/99/20/50/1104992050.db2.gz BNXXXKMOJXQDMA-GOSISDBHSA-N 0 3 314.473 3.399 20 30 DGEDHN C=CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001276042209 1105003923 /nfs/dbraw/zinc/00/39/23/1105003923.db2.gz XARHKKZMHZVIBP-CALCHBBNSA-N 0 3 307.482 3.390 20 30 DGEDHN O=C(CC1CC1)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001276176428 1105037591 /nfs/dbraw/zinc/03/75/91/1105037591.db2.gz NZRNERPBEZXEDZ-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2CC(F)(F)C2)CCCCC1 ZINC001276194649 1105044945 /nfs/dbraw/zinc/04/49/45/1105044945.db2.gz QLMWKKIFUBSGHX-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3ccccc31)C2 ZINC001095621034 1105090970 /nfs/dbraw/zinc/09/09/70/1105090970.db2.gz LZHNYBUIRRROQS-LMCOJAPRSA-N 0 3 324.468 3.404 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110900814 1105107042 /nfs/dbraw/zinc/10/70/42/1105107042.db2.gz RWISWLJMCCAYEK-AQNXPRMDSA-N 0 3 324.468 3.492 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110984719 1105133914 /nfs/dbraw/zinc/13/39/14/1105133914.db2.gz LOILUNPXTYRSRI-VXIBKDFQSA-N 0 3 322.493 3.125 20 30 DGEDHN Cc1cc(CN2CCCN(c3ccc(C#N)cn3)CC2)cs1 ZINC001248803629 1105166470 /nfs/dbraw/zinc/16/64/70/1105166470.db2.gz JYFMSNQTUKDAKX-UHFFFAOYSA-N 0 3 312.442 3.036 20 30 DGEDHN C#CC1CCN(Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001248847498 1105178434 /nfs/dbraw/zinc/17/84/34/1105178434.db2.gz RBQBNHAWIPFMNE-UHFFFAOYSA-N 0 3 307.319 3.427 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(C)cc3Cl)no2)CCCN1 ZINC001249351917 1105272541 /nfs/dbraw/zinc/27/25/41/1105272541.db2.gz PJOUGLNBFYEMQD-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1SC ZINC001249376084 1105277315 /nfs/dbraw/zinc/27/73/15/1105277315.db2.gz QNXWQRSOYJNPJG-AWEZNQCLSA-N 0 3 321.467 3.191 20 30 DGEDHN Cc1cc(C#N)c(N=C2CCC(N3CCOCC3)CC2)s1 ZINC001249553240 1105311447 /nfs/dbraw/zinc/31/14/47/1105311447.db2.gz FCBYUOBBTZTJDE-HNNXBMFYSA-N 0 3 303.431 3.109 20 30 DGEDHN C[C@@H](C#N)c1ccc(NC2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001249559254 1105314714 /nfs/dbraw/zinc/31/47/14/1105314714.db2.gz QPCCPPCZBWJNDE-KXBFYZLASA-N 0 3 311.429 3.494 20 30 DGEDHN N#CCc1cc(NC2=CC[C@@H](N3CCOCC3)CC2)ccc1F ZINC001249560544 1105315608 /nfs/dbraw/zinc/31/56/08/1105315608.db2.gz ARKGQDOFNPKPCO-QGZVFWFLSA-N 0 3 315.392 3.072 20 30 DGEDHN N#Cc1c(F)cc(F)cc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249561694 1105316174 /nfs/dbraw/zinc/31/61/74/1105316174.db2.gz QUKNZHMELXZYON-AWEZNQCLSA-N 0 3 319.355 3.017 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC3(CC3)C1)C2 ZINC001097070276 1105338978 /nfs/dbraw/zinc/33/89/78/1105338978.db2.gz ZVPBQDSZFLQTEX-VQHPVUNQSA-N 0 3 302.462 3.254 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)c1ccccc1 ZINC001111443238 1105357471 /nfs/dbraw/zinc/35/74/71/1105357471.db2.gz DIOZIOQWIPIQBR-TVFCKZIOSA-N 0 3 316.420 3.037 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)ccc(F)c1F)C2 ZINC001097749487 1105440198 /nfs/dbraw/zinc/44/01/98/1105440198.db2.gz PSTZTXHBLIIIRK-HONMWMINSA-N 0 3 324.346 3.015 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C2 ZINC001097989107 1105491268 /nfs/dbraw/zinc/49/12/68/1105491268.db2.gz DSGLZJRCUUSERD-FQBWVUSXSA-N 0 3 310.441 3.088 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1coc3ccccc13)C2 ZINC001098102188 1105549081 /nfs/dbraw/zinc/54/90/81/1105549081.db2.gz HENNTDCSRHHBAJ-NXHRZFHOSA-N 0 3 324.424 3.273 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3sccc3c1)C2 ZINC001098134417 1105553553 /nfs/dbraw/zinc/55/35/53/1105553553.db2.gz LBFPLWYOZUYWBP-ZACQAIPSSA-N 0 3 324.449 3.260 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001490916991 1105557265 /nfs/dbraw/zinc/55/72/65/1105557265.db2.gz MQGHWLFKXSOJDY-HDJSIYSDSA-N 0 3 321.490 3.099 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ccccc31)C2 ZINC001098317377 1105568927 /nfs/dbraw/zinc/56/89/27/1105568927.db2.gz TWNLWLXRTBEMNR-AHRSYUTCSA-N 0 3 318.420 3.198 20 30 DGEDHN CC(C)c1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC001250758441 1105578048 /nfs/dbraw/zinc/57/80/48/1105578048.db2.gz KMNQESPPMHGKAV-WMZOPIPTSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2Cl)C1 ZINC001098849905 1105608601 /nfs/dbraw/zinc/60/86/01/1105608601.db2.gz LTVMJTGHZAVVHO-LRDDRELGSA-N 0 3 322.861 3.009 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001098886071 1105610741 /nfs/dbraw/zinc/61/07/41/1105610741.db2.gz WDEGOQZBPSLVSO-SJCJKPOMSA-N 0 3 324.371 3.296 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)ccc2F)C1 ZINC001098876095 1105610880 /nfs/dbraw/zinc/61/08/80/1105610880.db2.gz CIOJQYFAUQIZBW-UGSOOPFHSA-N 0 3 320.383 3.125 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001098903272 1105612702 /nfs/dbraw/zinc/61/27/02/1105612702.db2.gz JMKYFCNJAXPOBY-DSKINZAPSA-N 0 3 324.468 3.263 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)cc2F)C1 ZINC001098929123 1105613522 /nfs/dbraw/zinc/61/35/22/1105613522.db2.gz ILDVNKSPEUQDPU-SJCJKPOMSA-N 0 3 322.811 3.249 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=C)C ZINC001098960938 1105619217 /nfs/dbraw/zinc/61/92/17/1105619217.db2.gz UDBZFOVLZHGNPO-IRXDYDNUSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001099023768 1105631541 /nfs/dbraw/zinc/63/15/41/1105631541.db2.gz SBYMMHQOUICDJE-SJORKVTESA-N 0 3 317.477 3.232 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001099108791 1105643163 /nfs/dbraw/zinc/64/31/63/1105643163.db2.gz UBDQENSCGGJUSG-FPOVZHCZSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)COC1CCCCC1 ZINC001099130639 1105646601 /nfs/dbraw/zinc/64/66/01/1105646601.db2.gz QEBLLYGBLQDXOB-INIZCTEOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001099154298 1105650856 /nfs/dbraw/zinc/65/08/56/1105650856.db2.gz WJCTURIPYXOEBD-RCJHGTSTSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001099168451 1105652477 /nfs/dbraw/zinc/65/24/77/1105652477.db2.gz VBVGJLIBMIIVTJ-LPHOPBHVSA-N 0 3 316.420 3.213 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C=C ZINC001099169925 1105652911 /nfs/dbraw/zinc/65/29/11/1105652911.db2.gz BEULOKBROOPMHN-INIZCTEOSA-N 0 3 322.493 3.008 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C2CCCCCC2)C[C@H]1C(F)(F)F ZINC001099223117 1105659696 /nfs/dbraw/zinc/65/96/96/1105659696.db2.gz FQRYBHHOMROQQR-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001099257936 1105661875 /nfs/dbraw/zinc/66/18/75/1105661875.db2.gz LZDHBCQPGXUDHL-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1nccs1 ZINC001099276541 1105663632 /nfs/dbraw/zinc/66/36/32/1105663632.db2.gz SYVHTWMSVCIFOA-CQSZACIVSA-N 0 3 321.490 3.330 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccccc1C ZINC001099333880 1105669882 /nfs/dbraw/zinc/66/98/82/1105669882.db2.gz CBCZLGNAEHJYNM-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1ccccc1 ZINC001251951931 1105714425 /nfs/dbraw/zinc/71/44/25/1105714425.db2.gz CEFLORQNYJXGLA-FUHWJXTLSA-N 0 3 301.361 3.082 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2oc(C(C)C)nc2C)C1 ZINC001490921825 1105722935 /nfs/dbraw/zinc/72/29/35/1105722935.db2.gz ITFUVHCKYTVEIG-SHTZXODSSA-N 0 3 319.449 3.200 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001490981370 1105730799 /nfs/dbraw/zinc/73/07/99/1105730799.db2.gz IJLOBJXXCALCED-QZKWLWDQSA-N 0 3 322.880 3.245 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)CCC1 ZINC001491051759 1105742282 /nfs/dbraw/zinc/74/22/82/1105742282.db2.gz HKHAQHFDMNRKRE-TXEJJXNPSA-N 0 3 317.260 3.289 20 30 DGEDHN CCCCCCCC[C@@H](O)CN[C@H](CO)c1ccccc1OC ZINC001252139900 1105749897 /nfs/dbraw/zinc/74/98/97/1105749897.db2.gz UQQSVEAZRORHMC-SJLPKXTDSA-N 0 3 323.477 3.430 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCc1cncn1CC1CC1 ZINC001252139957 1105749994 /nfs/dbraw/zinc/74/99/94/1105749994.db2.gz VXNPAMYRNXQHDU-GOSISDBHSA-N 0 3 307.482 3.494 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001491175108 1105765977 /nfs/dbraw/zinc/76/59/77/1105765977.db2.gz UIVYHPPJUSFZGI-CQSZACIVSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001491235767 1105784144 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ZINC001491410682 1105821870 /nfs/dbraw/zinc/82/18/70/1105821870.db2.gz MNDAQIGLIXVLQS-LRDDRELGSA-N 0 3 310.388 3.476 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001278677204 1105823923 /nfs/dbraw/zinc/82/39/23/1105823923.db2.gz FOSTUMFTBGDCPE-FQEVSTJZSA-N 0 3 323.440 3.023 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)NCc1ccc(Cl)c(F)c1 ZINC001491451302 1105829432 /nfs/dbraw/zinc/82/94/32/1105829432.db2.gz FCMJONBAVYKBNL-GFCCVEGCSA-N 0 3 324.827 3.123 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001491451917 1105829593 /nfs/dbraw/zinc/82/95/93/1105829593.db2.gz JZWIYAKCFHESMG-CQSZACIVSA-N 0 3 320.864 3.292 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001100952975 1105870849 /nfs/dbraw/zinc/87/08/49/1105870849.db2.gz YLUWXCLRDSKHTM-UHFFFAOYSA-N 0 3 320.864 3.083 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001101015202 1105875204 /nfs/dbraw/zinc/87/52/04/1105875204.db2.gz MAADCNPZEAILIO-DQPZFDDXSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001101040904 1105878176 /nfs/dbraw/zinc/87/81/76/1105878176.db2.gz HTAYXANQZQQTOI-UHFFFAOYSA-N 0 3 310.869 3.050 20 30 DGEDHN CCCC[C@H](CC)COC[C@H](O)CNCC#Cc1ccccc1 ZINC001253027293 1105879075 /nfs/dbraw/zinc/87/90/75/1105879075.db2.gz WEORHDOOPQOLMH-AZUAARDMSA-N 0 3 317.473 3.222 20 30 DGEDHN CCCC[C@@H](CC)COC[C@@H](O)CNCc1cc(C#N)cs1 ZINC001253033787 1105880348 /nfs/dbraw/zinc/88/03/48/1105880348.db2.gz KXQOGEWIDBCOPE-ZBFHGGJFSA-N 0 3 324.490 3.303 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@@H](CO)c1cccc(F)c1 ZINC001253251178 1105911815 /nfs/dbraw/zinc/91/18/15/1105911815.db2.gz HNAKETKZOOTWAJ-ROUUACIJSA-N 0 3 309.425 3.336 20 30 DGEDHN C=CCCC1(C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)CC1 ZINC001102328482 1106050105 /nfs/dbraw/zinc/05/01/05/1106050105.db2.gz KXBKCLHGIWOAJV-BKILABGBSA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccoc2CC)C1 ZINC001102933203 1106120200 /nfs/dbraw/zinc/12/02/00/1106120200.db2.gz 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ZINC001254673314 1106130551 /nfs/dbraw/zinc/13/05/51/1106130551.db2.gz IRKPPWKELVZGGX-KPFFTGBYSA-N 0 3 309.457 3.374 20 30 DGEDHN N#C[C@@H]1CC[C@H](N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001254673460 1106130958 /nfs/dbraw/zinc/13/09/58/1106130958.db2.gz LEMUHUMIZQIMBU-YPMHNXCESA-N 0 3 313.228 3.480 20 30 DGEDHN C[C@H]1CN([C@H]2CC[C@@H](C#N)C2)CCCN1C(=O)OC(C)(C)C ZINC001254673037 1106131116 /nfs/dbraw/zinc/13/11/16/1106131116.db2.gz GGUMSXZVWCETEJ-ZNMIVQPWSA-N 0 3 307.438 3.010 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765915 1106140342 /nfs/dbraw/zinc/14/03/42/1106140342.db2.gz ZUCWHBKPAZPAIV-KBPBESRZSA-N 0 3 307.438 3.058 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2cc(F)ccc2F)CC1 ZINC001255160402 1106193944 /nfs/dbraw/zinc/19/39/44/1106193944.db2.gz JKPINTKYULFYAY-OAHLLOKOSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001255160920 1106194016 /nfs/dbraw/zinc/19/40/16/1106194016.db2.gz RSUPGGNSMYBNGV-OAHLLOKOSA-N 0 3 319.424 3.081 20 30 DGEDHN CC[C@H](CC#N)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255166224 1106197210 /nfs/dbraw/zinc/19/72/10/1106197210.db2.gz HPIGWBKZILNQNQ-OAHLLOKOSA-N 0 3 309.454 3.258 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC2(C)C)C1 ZINC001103344792 1106207853 /nfs/dbraw/zinc/20/78/53/1106207853.db2.gz QMKWMYUAYNXURA-BPLDGKMQSA-N 0 3 312.885 3.249 20 30 DGEDHN CCOC(=O)[C@H]1CCC[C@@H](N2CCc3cc(C#N)ccc3C2)C1 ZINC001255358813 1106231484 /nfs/dbraw/zinc/23/14/84/1106231484.db2.gz XORDPYDLDLDFGX-FUHWJXTLSA-N 0 3 312.413 3.038 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](N2CCC[C@H](C#N)CC2)C1 ZINC001255915303 1106343500 /nfs/dbraw/zinc/34/35/00/1106343500.db2.gz MJQIZTGUCJLVCD-LSDHHAIUSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)N[C@@H]1CCN(C(=O)OCC)C1 ZINC001256022250 1106357167 /nfs/dbraw/zinc/35/71/67/1106357167.db2.gz ZXMBAHJZEWXPDI-LSDHHAIUSA-N 0 3 318.417 3.133 20 30 DGEDHN COc1cccc(C[C@@H](C)NC(=N)c2ccc(Cl)cn2)c1 ZINC001256145735 1106376927 /nfs/dbraw/zinc/37/69/27/1106376927.db2.gz JQYVLYMMAMXMSW-LLVKDONJSA-N 0 3 303.793 3.080 20 30 DGEDHN C[C@H]1C[C@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001256449239 1106425173 /nfs/dbraw/zinc/42/51/73/1106425173.db2.gz FZEZXONZTAHNEC-UONOGXRCSA-N 0 3 307.438 3.058 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1CCCC1)c1ccccc1CC ZINC001278964732 1106483357 /nfs/dbraw/zinc/48/33/57/1106483357.db2.gz YLUJMPZPMOIADP-SFHVURJKSA-N 0 3 300.446 3.372 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(F)CCCC1)c1ccccc1CC ZINC001278970073 1106499640 /nfs/dbraw/zinc/49/96/40/1106499640.db2.gz WTDICROOWMAWGK-KRWDZBQOSA-N 0 3 318.436 3.464 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C1CCC(C#N)CC1 ZINC001256963301 1106516987 /nfs/dbraw/zinc/51/69/87/1106516987.db2.gz FIUSJJSEIKBMND-SSHXOBKSSA-N 0 3 319.449 3.152 20 30 DGEDHN N#CC1CCC(N2CCN(c3nccc4occc43)CC2)CC1 ZINC001256970171 1106518636 /nfs/dbraw/zinc/51/86/36/1106518636.db2.gz VAACHZDGCBNRLE-UHFFFAOYSA-N 0 3 310.401 3.032 20 30 DGEDHN COC(=O)[C@@H]1CCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011184 1106524011 /nfs/dbraw/zinc/52/40/11/1106524011.db2.gz XJPCMWHEHWEFCZ-ABHNRTSZSA-N 0 3 312.413 3.222 20 30 DGEDHN CC[C@@H]1C[C@@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001257100626 1106539492 /nfs/dbraw/zinc/53/94/92/1106539492.db2.gz CVNRUKNLYJYCPN-LSDHHAIUSA-N 0 3 321.465 3.448 20 30 DGEDHN CC(C)[C@@H]1C[C@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257177177 1106548641 /nfs/dbraw/zinc/54/86/41/1106548641.db2.gz XJKXPLLFJNLANN-CABCVRRESA-N 0 3 321.465 3.304 20 30 DGEDHN CCCCCCCCCCC[C@@H](C)NS(=O)(=O)CCN ZINC001258052442 1106664763 /nfs/dbraw/zinc/66/47/63/1106664763.db2.gz PIONLKYLASRSOY-OAHLLOKOSA-N 0 3 306.516 3.174 20 30 DGEDHN COc1ccc(CC[C@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001258390342 1106727721 /nfs/dbraw/zinc/72/77/21/1106727721.db2.gz LZDFYLPBUFWSGW-LBPRGKRZSA-N 0 3 317.820 3.470 20 30 DGEDHN CN(C(=O)C#CC1CC1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001316930230 1106777959 /nfs/dbraw/zinc/77/79/59/1106777959.db2.gz AVLVCLDFNQKCOT-VMPITWQZSA-N 0 3 322.452 3.036 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001319999582 1106777761 /nfs/dbraw/zinc/77/77/61/1106777761.db2.gz JNPASJXZZMWKBK-SJORKVTESA-N 0 3 300.446 3.002 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C1(CC)CCC(F)(F)CC1 ZINC001320020281 1106790695 /nfs/dbraw/zinc/79/06/95/1106790695.db2.gz HXJRVYHLMQSXAK-UHFFFAOYSA-N 0 3 314.420 3.006 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001316944945 1106799802 /nfs/dbraw/zinc/79/98/02/1106799802.db2.gz NAIVKJUSUXVENM-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001316945433 1106802660 /nfs/dbraw/zinc/80/26/60/1106802660.db2.gz RRZMAYOQTYFODG-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1cc(C)ccc1C ZINC001320033505 1106804023 /nfs/dbraw/zinc/80/40/23/1106804023.db2.gz BQMLYBGZFVMGQV-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccc(C)cc1C ZINC001320035833 1106807248 /nfs/dbraw/zinc/80/72/48/1106807248.db2.gz YEOAAGJQVGNKMB-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC001320040139 1106812302 /nfs/dbraw/zinc/81/23/02/1106812302.db2.gz VHSPCHDNCKFGNZ-MRXNPFEDSA-N 0 3 313.397 3.187 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001316950952 1106815898 /nfs/dbraw/zinc/81/58/98/1106815898.db2.gz GHPVURQBCYXPPX-WFASDCNBSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001316950911 1106816259 /nfs/dbraw/zinc/81/62/59/1106816259.db2.gz FIAADCOQYMVEIM-FUHWJXTLSA-N 0 3 318.436 3.287 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CC(CC#N)C2)CC1(C)C ZINC001258557581 1106823409 /nfs/dbraw/zinc/82/34/09/1106823409.db2.gz RWPTYELGULVYSW-AWEZNQCLSA-N 0 3 307.438 3.010 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2C)C1 ZINC001316980146 1106842653 /nfs/dbraw/zinc/84/26/53/1106842653.db2.gz MNGQACFEWAUJDN-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001316981181 1106843750 /nfs/dbraw/zinc/84/37/50/1106843750.db2.gz SHIBRGRVSJHVFN-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN CCC[C@H](Cc1ccccc1)N1CCC(C#N)(C(=O)OC)CC1 ZINC001258661127 1106888470 /nfs/dbraw/zinc/88/84/70/1106888470.db2.gz OJISVPVJRHXFDD-QGZVFWFLSA-N 0 3 314.429 3.177 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001317006133 1106890311 /nfs/dbraw/zinc/89/03/11/1106890311.db2.gz ISORANRGBQVGGW-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)COC2CCCC2)CC1 ZINC001317008051 1106892839 /nfs/dbraw/zinc/89/28/39/1106892839.db2.gz NEVNRTKCWHGPSR-UHFFFAOYSA-N 0 3 322.493 3.225 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCO1 ZINC001317045247 1106946089 /nfs/dbraw/zinc/94/60/89/1106946089.db2.gz YQCJACGALUYUCQ-KSZLIROESA-N 0 3 322.493 3.201 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001317045998 1106946323 /nfs/dbraw/zinc/94/63/23/1106946323.db2.gz SSWHSOZGXZKLRE-HDICACEKSA-N 0 3 318.461 3.468 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2OC)C1 ZINC001317073698 1106970543 /nfs/dbraw/zinc/97/05/43/1106970543.db2.gz VPRHYKQSLIBGIS-SHTZXODSSA-N 0 3 322.836 3.052 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001317082895 1106977302 /nfs/dbraw/zinc/97/73/02/1106977302.db2.gz VIIHFHOWYNMCSG-WKILWMFISA-N 0 3 318.848 3.098 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001317087439 1106982244 /nfs/dbraw/zinc/98/22/44/1106982244.db2.gz JSDGMZRAKXCLNK-ULQDDVLXSA-N 0 3 320.864 3.416 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001317087435 1106983196 /nfs/dbraw/zinc/98/31/96/1106983196.db2.gz JSDGMZRAKXCLNK-BRWVUGGUSA-N 0 3 320.864 3.416 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001317114262 1107007841 /nfs/dbraw/zinc/00/78/41/1107007841.db2.gz VIIHFHOWYNMCSG-IYBDPMFKSA-N 0 3 318.848 3.098 20 30 DGEDHN C[C@@H]1CCC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001258829070 1107010500 /nfs/dbraw/zinc/01/05/00/1107010500.db2.gz VUVUQBLVRZNSSZ-ZBFHGGJFSA-N 0 3 301.409 3.398 20 30 DGEDHN C=C[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC001320471048 1107016047 /nfs/dbraw/zinc/01/60/47/1107016047.db2.gz PGMJQENKBXKQSI-JQWIXIFHSA-N 0 3 314.223 3.315 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001317135116 1107038216 /nfs/dbraw/zinc/03/82/16/1107038216.db2.gz GVIONYXRDVPGNH-MRXNPFEDSA-N 0 3 316.489 3.054 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2cccc(F)c2F)C1 ZINC001320540710 1107047274 /nfs/dbraw/zinc/04/72/74/1107047274.db2.gz JINRJZFHOCMWKT-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001317140983 1107047340 /nfs/dbraw/zinc/04/73/40/1107047340.db2.gz PCJFIWXLJIJMFL-MWGFUINXSA-N 0 3 324.468 3.250 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2cccc(F)c2F)C1 ZINC001320540709 1107047723 /nfs/dbraw/zinc/04/77/23/1107047723.db2.gz JINRJZFHOCMWKT-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001317154978 1107058946 /nfs/dbraw/zinc/05/89/46/1107058946.db2.gz MAZVXLAZKXIHSO-HRYODUOUSA-N 0 3 319.276 3.490 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCc1ccsc1 ZINC001317174985 1107090458 /nfs/dbraw/zinc/09/04/58/1107090458.db2.gz XMMBFPRGGBIIRB-INIZCTEOSA-N 0 3 306.475 3.228 20 30 DGEDHN CC[C@H](C)C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001317180764 1107103408 /nfs/dbraw/zinc/10/34/08/1107103408.db2.gz GNABXKMAUUQEII-PKOBYXMFSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001317211393 1107132319 /nfs/dbraw/zinc/13/23/19/1107132319.db2.gz YXZPEAOKMAXQOG-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C1(CC)CCC(F)(F)CC1 ZINC001320780464 1107135266 /nfs/dbraw/zinc/13/52/66/1107135266.db2.gz RKMRESPOLNYTRE-UHFFFAOYSA-N 0 3 314.420 3.054 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001317384176 1107295778 /nfs/dbraw/zinc/29/57/78/1107295778.db2.gz LPDHEYHJSNUFMM-PMACEKPBSA-N 0 3 324.468 3.292 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)NCc1ccc(F)cc1Cl ZINC001317390443 1107304424 /nfs/dbraw/zinc/30/44/24/1107304424.db2.gz URRUTSYHZXYDCG-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)nc1C1CC1 ZINC001317400560 1107317015 /nfs/dbraw/zinc/31/70/15/1107317015.db2.gz LNDHLHHGUWGXPC-GFCCVEGCSA-N 0 3 321.852 3.118 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1ccccc1OC1CC1 ZINC001321616492 1107390771 /nfs/dbraw/zinc/39/07/71/1107390771.db2.gz BPIQRARRWXARCA-CQSZACIVSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1scnc1C1CCCC1 ZINC001317482106 1107435045 /nfs/dbraw/zinc/43/50/45/1107435045.db2.gz OOWDALXDTJMJPL-UHFFFAOYSA-N 0 3 307.463 3.038 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001322130186 1107529249 /nfs/dbraw/zinc/52/92/49/1107529249.db2.gz OBJPCRIEWQLIMY-GUYCJALGSA-N 0 3 304.409 3.216 20 30 DGEDHN N#CCc1cccc2c1CCN(Cc1cccc3c[nH]nc31)C2 ZINC001261830976 1107538195 /nfs/dbraw/zinc/53/81/95/1107538195.db2.gz OIJBBPSYWVADEQ-UHFFFAOYSA-N 0 3 302.381 3.187 20 30 DGEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CCC1CCCC1 ZINC001317564135 1107546496 /nfs/dbraw/zinc/54/64/96/1107546496.db2.gz NQIZVKHWYLDZNB-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001317619257 1107567149 /nfs/dbraw/zinc/56/71/49/1107567149.db2.gz UTUFCDDLKPTCAE-MRXNPFEDSA-N 0 3 322.399 3.212 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ncccc1C)c1ccccc1 ZINC001317714287 1107616436 /nfs/dbraw/zinc/61/64/36/1107616436.db2.gz DKHKQMUDEXEGKB-KRWDZBQOSA-N 0 3 309.413 3.027 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CCCC12CC2)c1ccccc1 ZINC001317721889 1107622815 /nfs/dbraw/zinc/62/28/15/1107622815.db2.gz ZYQCXTKNSATBOO-ROUUACIJSA-N 0 3 310.441 3.037 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CCCC12CC2)c1ccccc1 ZINC001317721886 1107623373 /nfs/dbraw/zinc/62/33/73/1107623373.db2.gz ZYQCXTKNSATBOO-QZTJIDSGSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)/C=C/C(C)(C)C)C1 ZINC001317754083 1107640053 /nfs/dbraw/zinc/64/00/53/1107640053.db2.gz OMLGZWKEGJEKNB-VMSUTVGLSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCCC(=O)NCC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001317780774 1107661809 /nfs/dbraw/zinc/66/18/09/1107661809.db2.gz WYACAOKBKBQNKT-HNNXBMFYSA-N 0 3 304.409 3.120 20 30 DGEDHN CC(C)[C@H](C(=O)Nc1ccc(OCC#N)cc1)N1CCCCC1 ZINC001322502248 1107691197 /nfs/dbraw/zinc/69/11/97/1107691197.db2.gz CLQDXQQOSBHGOO-QGZVFWFLSA-N 0 3 315.417 3.038 20 30 DGEDHN CCCCC(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001317826166 1107693197 /nfs/dbraw/zinc/69/31/97/1107693197.db2.gz HVLOROXHENNGGF-CQSZACIVSA-N 0 3 319.474 3.090 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001322571151 1107708851 /nfs/dbraw/zinc/70/88/51/1107708851.db2.gz UCOYLRNWOHGTGH-LBPRGKRZSA-N 0 3 319.287 3.015 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cc(F)c(C#N)c(F)c1 ZINC001262573194 1107727524 /nfs/dbraw/zinc/72/75/24/1107727524.db2.gz PEACXKGBHYGODL-KPZWWZAWSA-N 0 3 316.351 3.091 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001317948077 1107760185 /nfs/dbraw/zinc/76/01/85/1107760185.db2.gz QNYMQKXEPGOZDT-OAHLLOKOSA-N 0 3 320.433 3.229 20 30 DGEDHN O=C(CC1CCCC1)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001322957293 1107788917 /nfs/dbraw/zinc/78/89/17/1107788917.db2.gz YYKICVDOCUGPHF-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H](CC)C1 ZINC001323128966 1107845938 /nfs/dbraw/zinc/84/59/38/1107845938.db2.gz IRFXBFWJWBOZID-LOKCTGBGSA-N 0 3 319.276 3.488 20 30 DGEDHN CC(C)C#CC(=O)NCC1CN(Cc2cccc3ccccc32)C1 ZINC001318119016 1107848217 /nfs/dbraw/zinc/84/82/17/1107848217.db2.gz KSJFQBPZQVLXMF-UHFFFAOYSA-N 0 3 320.436 3.047 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2)CCC1 ZINC001318206754 1107894794 /nfs/dbraw/zinc/89/47/94/1107894794.db2.gz WIXDXVQAAWYPEN-OALUTQOASA-N 0 3 324.468 3.360 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001318209873 1107900092 /nfs/dbraw/zinc/90/00/92/1107900092.db2.gz RYSLTPJPWVRCEJ-LNLFQRSKSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(COC)CCCCC1 ZINC001323245902 1107902759 /nfs/dbraw/zinc/90/27/59/1107902759.db2.gz IBESJXSNTWFBCB-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001318228332 1107908345 /nfs/dbraw/zinc/90/83/45/1107908345.db2.gz IVQVVVRILJECSU-CNFALQKSSA-N 0 3 302.462 3.064 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(=C)C)CCCCC1 ZINC001318228035 1107908547 /nfs/dbraw/zinc/90/85/47/1107908547.db2.gz AVGJNKJXBUOHTG-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001323301599 1107921990 /nfs/dbraw/zinc/92/19/90/1107921990.db2.gz JFKPYQHRSHBTJJ-CYBMUJFWSA-N 0 3 311.857 3.443 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001318319994 1107942318 /nfs/dbraw/zinc/94/23/18/1107942318.db2.gz QYJQUXRFAWNLFY-LJQANCHMSA-N 0 3 308.425 3.497 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC001323371284 1107954535 /nfs/dbraw/zinc/95/45/35/1107954535.db2.gz KXFMKZHJEYVNTE-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC001263124474 1107954932 /nfs/dbraw/zinc/95/49/32/1107954932.db2.gz LUDLATAABSYMEA-GLJUWKHASA-N 0 3 316.445 3.213 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(CC1CC1)c1ccc(OC)cc1 ZINC001263171117 1107965515 /nfs/dbraw/zinc/96/55/15/1107965515.db2.gz HGIYXLWNKJFTMI-QGZVFWFLSA-N 0 3 302.418 3.122 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(CCC)Cc1ccc(OC)cc1 ZINC001263166662 1107965671 /nfs/dbraw/zinc/96/56/71/1107965671.db2.gz NUVCMBZWFSYCCF-KRWDZBQOSA-N 0 3 304.434 3.117 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H](C)c2ccc(CC)cc2)CC1 ZINC001323542715 1108007603 /nfs/dbraw/zinc/00/76/03/1108007603.db2.gz RNVHTIPCLDNZQH-INIZCTEOSA-N 0 3 312.457 3.004 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCCO1)c1nccn1Cc1ccccc1 ZINC001263332066 1108019714 /nfs/dbraw/zinc/01/97/14/1108019714.db2.gz GGWKLBGFTVFNOF-SJORKVTESA-N 0 3 323.396 3.067 20 30 DGEDHN CC(C)c1noc(CCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC001323621722 1108030151 /nfs/dbraw/zinc/03/01/51/1108030151.db2.gz PPPYTIKHBFMZPT-LLVKDONJSA-N 0 3 302.353 3.097 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001318471188 1108035692 /nfs/dbraw/zinc/03/56/92/1108035692.db2.gz QRIYIUGFWOGIQQ-LJQANCHMSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CC(C)(C)CC(F)F)C1 ZINC001318479947 1108040995 /nfs/dbraw/zinc/04/09/95/1108040995.db2.gz SZDXFISYLDOPQM-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccccc2C)C1 ZINC001318492864 1108052716 /nfs/dbraw/zinc/05/27/16/1108052716.db2.gz UTNYMENQRBFMLO-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN COc1cc(CNC2CC(C#N)(c3ccccc3)C2)ccc1C#N ZINC001323936451 1108123511 /nfs/dbraw/zinc/12/35/11/1108123511.db2.gz UCBUYNGOXGRPBS-UHFFFAOYSA-N 0 3 317.392 3.280 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)Cc2occc2C)C1 ZINC001318831091 1108209626 /nfs/dbraw/zinc/20/96/26/1108209626.db2.gz MVJGYNUOESMBJB-HNNXBMFYSA-N 0 3 324.852 3.101 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1 ZINC001263808312 1108216896 /nfs/dbraw/zinc/21/68/96/1108216896.db2.gz ZTURWBCLHLOKAV-PKOBYXMFSA-N 0 3 312.457 3.474 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001263820763 1108233687 /nfs/dbraw/zinc/23/36/87/1108233687.db2.gz GPMGFOHDJMYDPV-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001263821665 1108234800 /nfs/dbraw/zinc/23/48/00/1108234800.db2.gz XAGNYZUPDIWGOX-PBHICJAKSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001263863146 1108267725 /nfs/dbraw/zinc/26/77/25/1108267725.db2.gz HGCRBXCGZQZNTA-CTYIDZIISA-N 0 3 321.852 3.076 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](CC)CCC)cc1 ZINC001319006283 1108274162 /nfs/dbraw/zinc/27/41/62/1108274162.db2.gz LORNPDSXRQMLSA-SFHVURJKSA-N 0 3 300.446 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)CCC(C)(C)C)cc1 ZINC001319005447 1108274853 /nfs/dbraw/zinc/27/48/53/1108274853.db2.gz CDKYRJLQCGXZHS-MRXNPFEDSA-N 0 3 314.473 3.488 20 30 DGEDHN C#CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1CCN(CC=C)CC1 ZINC001324425777 1108282641 /nfs/dbraw/zinc/28/26/41/1108282641.db2.gz ABPBSBRIOAHTJJ-IAGOWNOFSA-N 0 3 318.505 3.417 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001319104199 1108313828 /nfs/dbraw/zinc/31/38/28/1108313828.db2.gz RBWGGEUZKPSHAT-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccccc2)[C@H]1CC ZINC001264062203 1108361718 /nfs/dbraw/zinc/36/17/18/1108361718.db2.gz WDEOACNQRXKHBA-ZWKOTPCHSA-N 0 3 300.446 3.164 20 30 DGEDHN CC#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001324642853 1108396535 /nfs/dbraw/zinc/39/65/35/1108396535.db2.gz YONRHSYQIBQISQ-FQEVSTJZSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001324655471 1108405879 /nfs/dbraw/zinc/40/58/79/1108405879.db2.gz DYGFEJZKIDBTOC-LPHOPBHVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)[C@H]1C ZINC001264160390 1108406870 /nfs/dbraw/zinc/40/68/70/1108406870.db2.gz PDNKBHKZBPDHRQ-DAYGRLMNSA-N 0 3 318.436 3.159 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001324671563 1108416858 /nfs/dbraw/zinc/41/68/58/1108416858.db2.gz FCMXOLIZCJJWSQ-PXNSSMCTSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)CC(C)(C)C1 ZINC001264196954 1108432818 /nfs/dbraw/zinc/43/28/18/1108432818.db2.gz PSSUOJGARJCBNC-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCOCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001319431980 1108464008 /nfs/dbraw/zinc/46/40/08/1108464008.db2.gz YLODVJPFFGFDAD-KBPBESRZSA-N 0 3 324.852 3.040 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001319436630 1108465333 /nfs/dbraw/zinc/46/53/33/1108465333.db2.gz KCKHUOCYYJHVQH-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c(OC(F)F)c1 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ZINC001265298816 1108812413 /nfs/dbraw/zinc/81/24/13/1108812413.db2.gz CFQSTUNGKXPHEO-FQEVSTJZSA-N 0 3 324.468 3.059 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC001265301945 1108814284 /nfs/dbraw/zinc/81/42/84/1108814284.db2.gz UUQYQSHRPBEYQG-GOSISDBHSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001265314835 1108823493 /nfs/dbraw/zinc/82/34/93/1108823493.db2.gz JUSYQNVDPOQHDQ-AWEZNQCLSA-N 0 3 304.459 3.007 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C[C@@H](C)SC)CC1 ZINC001265337869 1108832230 /nfs/dbraw/zinc/83/22/30/1108832230.db2.gz YWLWAQZEBFDDFT-OAHLLOKOSA-N 0 3 312.523 3.407 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001265408879 1108865224 /nfs/dbraw/zinc/86/52/24/1108865224.db2.gz XFBVAVADWNZDCL-HRCADAONSA-N 0 3 308.441 3.299 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCC(C)C)C1 ZINC001265523555 1108898814 /nfs/dbraw/zinc/89/88/14/1108898814.db2.gz MQPIBWWHGXVPEY-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001265586254 1108920076 /nfs/dbraw/zinc/92/00/76/1108920076.db2.gz CUPLERAPEIMAQW-PGYGNJIDSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001265619868 1108934784 /nfs/dbraw/zinc/93/47/84/1108934784.db2.gz VUNVTXNQKZAXET-OXBCTQFSSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001265619866 1108935325 /nfs/dbraw/zinc/93/53/25/1108935325.db2.gz VUNVTXNQKZAXET-FMNNIJNLSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001265649198 1108948811 /nfs/dbraw/zinc/94/88/11/1108948811.db2.gz OXXIZARIWWRCLV-ZDUSSCGKSA-N 0 3 302.409 3.215 20 30 DGEDHN CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001265696952 1108971539 /nfs/dbraw/zinc/97/15/39/1108971539.db2.gz MRGXPAKMPPFLOR-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1cc(F)cc(F)c1 ZINC001265779891 1109002686 /nfs/dbraw/zinc/00/26/86/1109002686.db2.gz 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C#CCN[C@H](C)c1ccc(CNC(=O)c2sccc2F)cc1 ZINC001280350095 1109188289 /nfs/dbraw/zinc/18/82/89/1109188289.db2.gz DBTMMSNPXNSYAH-GFCCVEGCSA-N 0 3 316.401 3.101 20 30 DGEDHN CCC(CC)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001280468859 1109208753 /nfs/dbraw/zinc/20/87/53/1109208753.db2.gz HDGOCQXLVHJVBV-UHFFFAOYSA-N 0 3 319.474 3.184 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001280744894 1109246033 /nfs/dbraw/zinc/24/60/33/1109246033.db2.gz PMUTUENAEMDUKT-DLBZAZTESA-N 0 3 310.457 3.289 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC(C2CCC2)C2CCC2)CC1 ZINC001280758542 1109248678 /nfs/dbraw/zinc/24/86/78/1109248678.db2.gz BOPKWGIEBPWDLZ-SFHVURJKSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001280760849 1109250086 /nfs/dbraw/zinc/25/00/86/1109250086.db2.gz SUFVFVNKYWUNAS-HXKWKUIBSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CCc3ccccc3)CC2)C[C@H]1C ZINC001281682080 1109395241 /nfs/dbraw/zinc/39/52/41/1109395241.db2.gz GLMDOZIMLYMCAF-IEBWSBKVSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2c1CCCC2 ZINC001281716848 1109399080 /nfs/dbraw/zinc/39/90/80/1109399080.db2.gz IYMWNNXCAXLAOV-AWEZNQCLSA-N 0 3 320.864 3.416 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001281749311 1109403737 /nfs/dbraw/zinc/40/37/37/1109403737.db2.gz STLQMZIRNWLQSS-RRFJBIMHSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1ccncc1Cl ZINC001281749625 1109404007 /nfs/dbraw/zinc/40/40/07/1109404007.db2.gz XYQGKJALTHIEJI-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCc1cncc(C)c1 ZINC001281862839 1109412479 /nfs/dbraw/zinc/41/24/79/1109412479.db2.gz RQSIAITUKLIHLG-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1F ZINC001281955526 1109421160 /nfs/dbraw/zinc/42/11/60/1109421160.db2.gz NLFNDECJTXVTRW-CVEARBPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1ccccc1C ZINC001281968513 1109424465 /nfs/dbraw/zinc/42/44/65/1109424465.db2.gz NGPQAWUXIUZCOX-SJORKVTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001282003223 1109429332 /nfs/dbraw/zinc/42/93/32/1109429332.db2.gz ZNRXNPCQCFDULI-SHARSMKWSA-N 0 3 310.869 3.194 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)cc1F ZINC001282122885 1109453841 /nfs/dbraw/zinc/45/38/41/1109453841.db2.gz HXZAYNLJBAVPMX-OLZOCXBDSA-N 0 3 324.827 3.265 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cnc(C)s1 ZINC001282195533 1109467392 /nfs/dbraw/zinc/46/73/92/1109467392.db2.gz ZQNNGGOKHDQVTH-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN CCCCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282226802 1109471578 /nfs/dbraw/zinc/47/15/78/1109471578.db2.gz FKNDQFFCTAPXLE-ROUUACIJSA-N 0 3 314.473 3.491 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282455986 1109515675 /nfs/dbraw/zinc/51/56/75/1109515675.db2.gz VDQZJBQQKMUKMK-DNVCBOLYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001282478561 1109521500 /nfs/dbraw/zinc/52/15/00/1109521500.db2.gz RCXFLQSQHXMPFA-SJLPKXTDSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001282498410 1109527661 /nfs/dbraw/zinc/52/76/61/1109527661.db2.gz XLSRQRKGQXBCSH-HUUCEWRRSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001282665578 1109547517 /nfs/dbraw/zinc/54/75/17/1109547517.db2.gz GJQYWFPYUXRVMN-UONOGXRCSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCOCCN1CC([C@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001282745614 1109562343 /nfs/dbraw/zinc/56/23/43/1109562343.db2.gz UYBRIRFNBGFUEN-HNNXBMFYSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001282958965 1109584312 /nfs/dbraw/zinc/58/43/12/1109584312.db2.gz ROOFNXIPTJDCFT-ARFHVFGLSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(Br)CNCCC[C@H](C)NC(=O)CC(C)(C)C ZINC001283128072 1109596895 /nfs/dbraw/zinc/59/68/95/1109596895.db2.gz VLNRCHZBANNXRK-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCC=C(Cl)Cl ZINC001283214358 1109603833 /nfs/dbraw/zinc/60/38/33/1109603833.db2.gz MEACJKIONOBLBM-NSHDSACASA-N 0 3 307.265 3.392 20 30 DGEDHN C[C@@H](CN(C)C(=O)CC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC001283572245 1109655301 /nfs/dbraw/zinc/65/53/01/1109655301.db2.gz KSXQDFINHGWFQU-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001283629104 1109663012 /nfs/dbraw/zinc/66/30/12/1109663012.db2.gz FECLCXPKTDMWSP-AWEZNQCLSA-N 0 3 314.454 3.283 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(C)nc1C ZINC001283652481 1109666981 /nfs/dbraw/zinc/66/69/81/1109666981.db2.gz FSACKBZPSNPNMP-OAHLLOKOSA-N 0 3 317.477 3.237 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283664167 1109668747 /nfs/dbraw/zinc/66/87/47/1109668747.db2.gz VGQZSXOEMKAPNC-XLIONFOSSA-N 0 3 312.457 3.077 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CCC1(C)CC1 ZINC001283925863 1109701566 /nfs/dbraw/zinc/70/15/66/1109701566.db2.gz UMCDBDCRRLPQSV-IEBWSBKVSA-N 0 3 324.468 3.197 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCCC2CCCCC2)C1 ZINC001284027987 1109718675 /nfs/dbraw/zinc/71/86/75/1109718675.db2.gz YMPDEJMRROGGRX-AEFFLSMTSA-N 0 3 304.478 3.339 20 30 DGEDHN Cc1ccccc1CN1CCC[C@@H](NC(=O)C#CC(C)C)[C@@H]1C ZINC001284118757 1109739277 /nfs/dbraw/zinc/73/92/77/1109739277.db2.gz BBWGWBXBQDWETM-PKOBYXMFSA-N 0 3 312.457 3.124 20 30 DGEDHN Cc1ccccc1CN1CCC[C@@H](NC(=O)C#CC(C)C)[C@H]1C ZINC001284118750 1109739412 /nfs/dbraw/zinc/73/94/12/1109739412.db2.gz BBWGWBXBQDWETM-IEBWSBKVSA-N 0 3 312.457 3.124 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(Cc3ccccc3)CC2)[C@H]1C ZINC001284128067 1109742514 /nfs/dbraw/zinc/74/25/14/1109742514.db2.gz IWQUOIDNHFRIIV-MJGOQNOKSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(Cl)cc2)[C@H]1C ZINC001284129097 1109743154 /nfs/dbraw/zinc/74/31/54/1109743154.db2.gz GCIQEURJZOLZHG-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H]1C ZINC001284130932 1109743840 /nfs/dbraw/zinc/74/38/40/1109743840.db2.gz NVGRKWJFWLFBCM-PKOBYXMFSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1csc(C(C)C)n1)C(C)C ZINC001284553754 1109811133 /nfs/dbraw/zinc/81/11/33/1109811133.db2.gz SXKUACSHNDZDDU-UHFFFAOYSA-N 0 3 309.479 3.235 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC001303335317 1111140912 /nfs/dbraw/zinc/14/09/12/1111140912.db2.gz SKUVFOBDJOQLLF-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2oc(C(F)F)cc2C)C1 ZINC001317376856 1111191241 /nfs/dbraw/zinc/19/12/41/1111191241.db2.gz RVOFMSJYWFIIRE-ZDUSSCGKSA-N 0 3 324.371 3.085 20 30 DGEDHN CN(C)[C@@H](CNc1nc2ncccc2cc1C#N)c1cccs1 ZINC001306911184 1111249634 /nfs/dbraw/zinc/24/96/34/1111249634.db2.gz PPXNPPWCDWTRRD-AWEZNQCLSA-N 0 3 323.425 3.278 20 30 DGEDHN N#Cc1ccnc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC001307575829 1111315106 /nfs/dbraw/zinc/31/51/06/1111315106.db2.gz BFFWEJZBXUIQKY-MOPGFXCFSA-N 0 3 307.397 3.041 20 30 DGEDHN CC(C)C[C@H]1CN(C)CCN1Cc1ccc(Cl)cc1C#N ZINC001308101273 1111377520 /nfs/dbraw/zinc/37/75/20/1111377520.db2.gz WMKMPQGXDXLDGJ-KRWDZBQOSA-N 0 3 305.853 3.374 20 30 DGEDHN C#CCN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(C)C ZINC001308096947 1111377558 /nfs/dbraw/zinc/37/75/58/1111377558.db2.gz YOARYRNGMPDLTA-AWEZNQCLSA-N 0 3 316.228 3.077 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001316998054 1111735714 /nfs/dbraw/zinc/73/57/14/1111735714.db2.gz IRJBZFXWIKSMKW-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCCC)C[C@@H]2C1 ZINC001316759428 1111760185 /nfs/dbraw/zinc/76/01/85/1111760185.db2.gz HIGKOLHHYJPXDT-KSZLIROESA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC[C@H]2CCc3ccccc32)[C@H]1C ZINC001316799559 1111770891 /nfs/dbraw/zinc/77/08/91/1111770891.db2.gz VYTSZGSGDVONAA-SUMDDJOVSA-N 0 3 312.457 3.262 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC1CCC(OC)CC1 ZINC001316805616 1111772500 /nfs/dbraw/zinc/77/25/00/1111772500.db2.gz CDZLVZYPYKSGFK-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cnoc2C)CC(C)(C)C1 ZINC001316808526 1111775181 /nfs/dbraw/zinc/77/51/81/1111775181.db2.gz WIEDVKXRXXJKOH-MRXNPFEDSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2conc2C)CC(C)(C)C1 ZINC001316808142 1111775414 /nfs/dbraw/zinc/77/54/14/1111775414.db2.gz QGBWZQKOMWPICJ-INIZCTEOSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001316870634 1111786040 /nfs/dbraw/zinc/78/60/40/1111786040.db2.gz OZPRPCPNZQXVJV-UHFFFAOYSA-N 0 3 310.441 3.329 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)[nH]c1C ZINC001316875938 1111787583 /nfs/dbraw/zinc/78/75/83/1111787583.db2.gz GYKOVXRECRHBHV-HOCLYGCPSA-N 0 3 323.868 3.357 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)CCC(C)C ZINC001316884561 1111791659 /nfs/dbraw/zinc/79/16/59/1111791659.db2.gz OESVGFHYMVYMPE-UHFFFAOYSA-N 0 3 314.473 3.303 20 30 DGEDHN CC[C@@H]1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000302151848 529402010 /nfs/dbraw/zinc/40/20/10/529402010.db2.gz KTWSVMJOPYIGQP-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H]1CC[C@H](NCC2(CC#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496105332 290637728 /nfs/dbraw/zinc/63/77/28/290637728.db2.gz KXJXNURBVIJQFU-KBPBESRZSA-N 0 3 307.438 3.058 20 30 DGEDHN CCOc1ccccc1OCCN(C)Cc1cccc(C#N)c1 ZINC000321059887 231199892 /nfs/dbraw/zinc/19/98/92/231199892.db2.gz IOLAZNRYRPTCAF-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN CCC(CC)N(CCOC)C(=O)C(C#N)CCc1ccccc1 ZINC000433314615 282182535 /nfs/dbraw/zinc/18/25/35/282182535.db2.gz VWGLDWKIBPCCAD-QGZVFWFLSA-N 0 3 316.445 3.423 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)CCC#N)ccc2NC1=O ZINC000351336121 529474792 /nfs/dbraw/zinc/47/47/92/529474792.db2.gz YOMSFBSQZGOCKP-XUJVJEKNSA-N 0 3 301.390 3.139 20 30 DGEDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)N(CC)CCC#N ZINC000345868346 529542755 /nfs/dbraw/zinc/54/27/55/529542755.db2.gz NUMBINKNQPMYKK-SFHVURJKSA-N 0 3 315.461 3.092 20 30 DGEDHN CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(C#N)cc1 ZINC000278209303 214024719 /nfs/dbraw/zinc/02/47/19/214024719.db2.gz HOSZXQKGEKGOEZ-GOSISDBHSA-N 0 3 307.397 3.159 20 30 DGEDHN C=CCN(CCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000063388168 432005985 /nfs/dbraw/zinc/00/59/85/432005985.db2.gz VVOJCWURFMRMLD-UHFFFAOYSA-N 0 3 300.402 3.278 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C(=O)C(C#N)CCc1ccccc1 ZINC000433223871 529992943 /nfs/dbraw/zinc/99/29/43/529992943.db2.gz UNWMRVNTHSOKPL-IBGZPJMESA-N 0 3 317.392 3.289 20 30 DGEDHN CN1CCC(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000174518626 530048146 /nfs/dbraw/zinc/04/81/46/530048146.db2.gz AILONHVJPSMPDQ-UHFFFAOYSA-N 0 3 318.420 3.367 20 30 DGEDHN CCN(CC)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000066394595 432015419 /nfs/dbraw/zinc/01/54/19/432015419.db2.gz YXLGNRMERPXRBU-GFCCVEGCSA-N 0 3 314.216 3.016 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N1CCCCC1 ZINC000104241653 432015828 /nfs/dbraw/zinc/01/58/28/432015828.db2.gz UCWMVWLOTNQROK-MAUKXSAKSA-N 0 3 313.445 3.246 20 30 DGEDHN CC1(C)CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000105414368 432018764 /nfs/dbraw/zinc/01/87/64/432018764.db2.gz OSWIUVOQXDMUCG-SFHVURJKSA-N 0 3 310.445 3.026 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(C)ccc2C)CC1 ZINC000106034579 432019088 /nfs/dbraw/zinc/01/90/88/432019088.db2.gz KYATZGKDJQUHOV-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(SC)ccc2C)CC1 ZINC000106037190 432019239 /nfs/dbraw/zinc/01/92/39/432019239.db2.gz KKJAHOKNXCDFSN-UHFFFAOYSA-N 0 3 318.486 3.487 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000106038241 432019976 /nfs/dbraw/zinc/01/99/76/432019976.db2.gz ONUALMMBHJQSLQ-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCCOc2ccccc2)CC1 ZINC000106039396 432020304 /nfs/dbraw/zinc/02/03/04/432020304.db2.gz OXAZUCWBJDPBIM-UHFFFAOYSA-N 0 3 316.445 3.002 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000106324594 432020761 /nfs/dbraw/zinc/02/07/61/432020761.db2.gz KDABSGBPMPDFFQ-UHFFFAOYSA-N 0 3 312.417 3.330 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000106261742 432020785 /nfs/dbraw/zinc/02/07/85/432020785.db2.gz GKUUIRVFPYALJC-INIZCTEOSA-N 0 3 315.461 3.396 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccccc2)CC1 ZINC000106275926 432020889 /nfs/dbraw/zinc/02/08/89/432020889.db2.gz QXFIVAKMTJVTEI-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CN1C1CC1 ZINC000133532394 185992873 /nfs/dbraw/zinc/99/28/73/185992873.db2.gz LLSPRBDRPMTOAN-MWLCHTKSSA-N 0 3 310.323 3.009 20 30 DGEDHN CC[S@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181865217 186212425 /nfs/dbraw/zinc/21/24/25/186212425.db2.gz WDIXPPZOYAYIPK-GDEPLPEGSA-N 0 3 304.459 3.289 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(C)c2C)CC1 ZINC000172151033 198047098 /nfs/dbraw/zinc/04/70/98/198047098.db2.gz BVVSCEJKPWDYIJ-MRXNPFEDSA-N 0 3 315.461 3.314 20 30 DGEDHN C[C@@H](COc1ccc(F)cc1F)NCc1cccc(C#N)c1 ZINC000067250433 432028842 /nfs/dbraw/zinc/02/88/42/432028842.db2.gz SUSMHAGBJLBYSW-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN CC(=O)Nc1cccc(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000174057634 198285664 /nfs/dbraw/zinc/28/56/64/198285664.db2.gz FMVIVORRIQWVHI-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000174076425 198288410 /nfs/dbraw/zinc/28/84/10/198288410.db2.gz HAEGZKCIAXQDCM-CJNGLKHVSA-N 0 3 315.417 3.218 20 30 DGEDHN N#CC1(CCCN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCOCC1 ZINC000368092925 283043718 /nfs/dbraw/zinc/04/37/18/283043718.db2.gz OACRIGZLFZHLHG-IRXDYDNUSA-N 0 3 318.461 3.120 20 30 DGEDHN N#CC1(CCN2CCC[C@H]([C@H](O)C(F)(F)F)C2)CCCCC1 ZINC000411641095 283045540 /nfs/dbraw/zinc/04/55/40/283045540.db2.gz WTDWCDKWWDDJJN-KBPBESRZSA-N 0 3 318.383 3.486 20 30 DGEDHN CN(C)CCOc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000077631256 191744585 /nfs/dbraw/zinc/74/45/85/191744585.db2.gz YBOFYXZCPDQXPX-UHFFFAOYSA-N 0 3 324.384 3.143 20 30 DGEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245916916 283138406 /nfs/dbraw/zinc/13/84/06/283138406.db2.gz SCRPIEXOEDUGCI-DLBZAZTESA-N 0 3 302.443 3.045 20 30 DGEDHN C=CCC(CC=C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000133225008 432058895 /nfs/dbraw/zinc/05/88/95/432058895.db2.gz ASONUAPPGZQHTD-UHFFFAOYSA-N 0 3 316.445 3.471 20 30 DGEDHN N#Cc1cnc(N2CCC[C@@H]2CN2CCCCC2)c(Cl)c1 ZINC000160450018 283231243 /nfs/dbraw/zinc/23/12/43/283231243.db2.gz YNNCLRXIJGNXBJ-CQSZACIVSA-N 0 3 304.825 3.061 20 30 DGEDHN N#Cc1cccc(OCCN[C@H](CCCO)c2ccccc2)c1 ZINC000179759486 199077070 /nfs/dbraw/zinc/07/70/70/199077070.db2.gz AUMSSCPSZNJLFJ-LJQANCHMSA-N 0 3 310.397 3.040 20 30 DGEDHN C#CCCCCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000179771092 199078469 /nfs/dbraw/zinc/07/84/69/199078469.db2.gz IRQHNBLRFLVEQG-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN N#Cc1cc(F)ccc1NCC1CCN(c2ccncc2)CC1 ZINC000180046012 199111303 /nfs/dbraw/zinc/11/13/03/199111303.db2.gz ICJOTFPTPHHCMH-UHFFFAOYSA-N 0 3 310.376 3.421 20 30 DGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000180677060 199195332 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ZINC000428774816 238031316 /nfs/dbraw/zinc/03/13/16/238031316.db2.gz XSXPGSTWABNXJM-RDJZCZTQSA-N 0 3 307.397 3.476 20 30 DGEDHN N#CCC1(CNC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000431130935 238094783 /nfs/dbraw/zinc/09/47/83/238094783.db2.gz XEDHNBLKNOJPPH-UHFFFAOYSA-N 0 3 311.429 3.096 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000246058115 432091266 /nfs/dbraw/zinc/09/12/66/432091266.db2.gz VSDFZUUNUZZSNC-PKOBYXMFSA-N 0 3 319.445 3.003 20 30 DGEDHN COCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCCSC1 ZINC000433182562 238149417 /nfs/dbraw/zinc/14/94/17/238149417.db2.gz OGQAHNJUKCUGSF-OAHLLOKOSA-N 0 3 308.422 3.041 20 30 DGEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCSC1 ZINC000433186548 238149462 /nfs/dbraw/zinc/14/94/62/238149462.db2.gz KBSJSJFIMIZJOT-OAHLLOKOSA-N 0 3 308.422 3.041 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1cccnc1)C1CC1 ZINC000433236506 238151929 /nfs/dbraw/zinc/15/19/29/238151929.db2.gz YAHNTUZKHKSPQU-GOSISDBHSA-N 0 3 319.408 3.345 20 30 DGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000433344349 238156603 /nfs/dbraw/zinc/15/66/03/238156603.db2.gz REOTYFHIFAZPJU-SUMDDJOVSA-N 0 3 313.445 3.268 20 30 DGEDHN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)c(F)c1 ZINC000271985115 209360545 /nfs/dbraw/zinc/36/05/45/209360545.db2.gz XYKWCGKUUMXXRM-CJNGLKHVSA-N 0 3 310.376 3.022 20 30 DGEDHN C[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271922954 209326896 /nfs/dbraw/zinc/32/68/96/209326896.db2.gz IIDGFKIGEQTXIB-LRDDRELGSA-N 0 3 301.365 3.244 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]2CCO[C@@H]21 ZINC000271913567 209319782 /nfs/dbraw/zinc/31/97/82/209319782.db2.gz YLAOLYBBHIJRIR-OAGGEKHMSA-N 0 3 323.358 3.460 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(F)(F)c1ccc(C)cc1 ZINC001626751057 1194092734 /nfs/dbraw/zinc/09/27/34/1194092734.db2.gz QYRSLTGGQYDWTJ-UHFFFAOYSA-N 0 3 310.388 3.053 20 30 DGEDHN Cc1sc(NC(=O)CN[C@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000194311189 201200383 /nfs/dbraw/zinc/20/03/83/201200383.db2.gz AQJHTMOHOWLFIK-HZMBPMFUSA-N 0 3 305.447 3.343 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000442769360 239119471 /nfs/dbraw/zinc/11/94/71/239119471.db2.gz QACORDUAOCDPFA-HOCLYGCPSA-N 0 3 309.369 3.314 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000442861174 239138369 /nfs/dbraw/zinc/13/83/69/239138369.db2.gz MLDKSSKEEHBLPV-BXKDBHETSA-N 0 3 313.279 3.395 20 30 DGEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(-n2cc(Cl)cn2)n1 ZINC000442860051 239139617 /nfs/dbraw/zinc/13/96/17/239139617.db2.gz RMZOOEGOLVJCNW-IUODEOHRSA-N 0 3 315.808 3.011 20 30 DGEDHN COc1cccc(N2CC[C@H](N[C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000271852827 209268079 /nfs/dbraw/zinc/26/80/79/209268079.db2.gz IWSCLSWHFILTNZ-QAPCUYQASA-N 0 3 321.424 3.496 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C#N)s2)C1 ZINC000195195351 201356983 /nfs/dbraw/zinc/35/69/83/201356983.db2.gz INUINHQFCOFKCJ-MRXNPFEDSA-N 0 3 306.431 3.031 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000271834935 209254609 /nfs/dbraw/zinc/25/46/09/209254609.db2.gz FUGPJAWPBOTWQH-UAGQMJEPSA-N 0 3 300.377 3.135 20 30 DGEDHN CC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(F)F ZINC000449366268 240158251 /nfs/dbraw/zinc/15/82/51/240158251.db2.gz YIMVOZYFYGKEEG-MRXNPFEDSA-N 0 3 307.388 3.156 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000189968411 432107846 /nfs/dbraw/zinc/10/78/46/432107846.db2.gz LHVQKONCNPUEMH-LSBZLQRGSA-N 0 3 323.440 3.095 20 30 DGEDHN C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000091989657 193137933 /nfs/dbraw/zinc/13/79/33/193137933.db2.gz WQAWVFVOZDQJNK-LBPRGKRZSA-N 0 3 314.414 3.036 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451507239 241151061 /nfs/dbraw/zinc/15/10/61/241151061.db2.gz VIRINNUBLKATIN-SJORKVTESA-N 0 3 302.418 3.249 20 30 DGEDHN C[C@](CO)(NCCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC000451918913 241274877 /nfs/dbraw/zinc/27/48/77/241274877.db2.gz ZBMNTPWMELGYHD-CQSZACIVSA-N 0 3 301.217 3.484 20 30 DGEDHN N#Cc1ccc(OCCN2CCC[C@]3(CCSC3)C2)cc1 ZINC000451964739 241284997 /nfs/dbraw/zinc/28/49/97/241284997.db2.gz LBQCZHQIUXMYJD-KRWDZBQOSA-N 0 3 302.443 3.156 20 30 DGEDHN COc1ccc([C@@H](C)N(C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000268599332 432109709 /nfs/dbraw/zinc/10/97/09/432109709.db2.gz ICIQFADPZKXFOF-AUUYWEPGSA-N 0 3 310.397 3.293 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000189993778 432110478 /nfs/dbraw/zinc/11/04/78/432110478.db2.gz RTANOTNOPNPNQS-OLZOCXBDSA-N 0 3 303.406 3.122 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCC1CC1 ZINC000135279987 432110850 /nfs/dbraw/zinc/11/08/50/432110850.db2.gz ZZGRIWALWNAAJF-LLVKDONJSA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCC[C@H](NC(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000454697357 242012568 /nfs/dbraw/zinc/01/25/68/242012568.db2.gz JEDMEHTVAQLVEK-SQNIBIBYSA-N 0 3 313.445 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)nc2C2CC2)CC1 ZINC000455490105 242215468 /nfs/dbraw/zinc/21/54/68/242215468.db2.gz 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/nfs/dbraw/zinc/18/68/08/244186808.db2.gz RIJLEDIXQZHEDD-SJORKVTESA-N 0 3 309.450 3.023 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000472231160 244290848 /nfs/dbraw/zinc/29/08/48/244290848.db2.gz RBLKCWAWZAJWOA-XYJFISCASA-N 0 3 300.446 3.193 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@H]1CCC[C@@H]1C ZINC000487950351 245127029 /nfs/dbraw/zinc/12/70/29/245127029.db2.gz GRMLCCOFNSIVGV-YOEHRIQHSA-N 0 3 302.418 3.204 20 30 DGEDHN Cc1noc(C2(C)CCN(Cc3ccc(C#N)c(C)c3)CC2)n1 ZINC000488297088 245174733 /nfs/dbraw/zinc/17/47/33/245174733.db2.gz NNHMHHBGDVYEHU-UHFFFAOYSA-N 0 3 310.401 3.112 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000264484407 203954049 /nfs/dbraw/zinc/95/40/49/203954049.db2.gz MEVRJOWOLWYCBQ-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCOc1ccc(CNC[C@](C)(O)c2ccco2)cc1Cl ZINC000266172355 205158088 /nfs/dbraw/zinc/15/80/88/205158088.db2.gz ROWVUGOJMDVYHV-KRWDZBQOSA-N 0 3 321.804 3.495 20 30 DGEDHN CN(C)CCN(C(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000127965663 284359014 /nfs/dbraw/zinc/35/90/14/284359014.db2.gz SQGJWZHMDNUNJM-UHFFFAOYSA-N 0 3 321.424 3.086 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)CCC(F)(F)F)C(C)C ZINC000266324822 205268200 /nfs/dbraw/zinc/26/82/00/205268200.db2.gz QMLRHBJBEILCJK-CYBMUJFWSA-N 0 3 306.372 3.144 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190184059 432130326 /nfs/dbraw/zinc/13/03/26/432130326.db2.gz LPAXZYGZMOTORD-WDYCEAGBSA-N 0 3 312.457 3.478 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)nc1 ZINC000267348996 206003149 /nfs/dbraw/zinc/00/31/49/206003149.db2.gz FZADXYFLCGCGMY-KXBFYZLASA-N 0 3 306.413 3.276 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000494283727 246131838 /nfs/dbraw/zinc/13/18/38/246131838.db2.gz YGHJJZCFQXYHBZ-DYVFJYSZSA-N 0 3 320.458 3.060 20 30 DGEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000181541314 432134520 /nfs/dbraw/zinc/13/45/20/432134520.db2.gz KPLWKGFVFLKRLJ-HUUCEWRRSA-N 0 3 307.397 3.279 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000135163706 335024969 /nfs/dbraw/zinc/02/49/69/335024969.db2.gz OFHSVBKOASLNQY-GOSISDBHSA-N 0 3 301.434 3.017 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(CC#N)cc1 ZINC000495014083 246225031 /nfs/dbraw/zinc/22/50/31/246225031.db2.gz YXOMLICZDMDFEV-CQSZACIVSA-N 0 3 317.433 3.098 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Cl)o1)C(C)C ZINC000496000608 246338697 /nfs/dbraw/zinc/33/86/97/246338697.db2.gz WXOQPYGYQNCNKP-CYBMUJFWSA-N 0 3 310.825 3.361 20 30 DGEDHN CN(CCCNCc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000496220178 246368011 /nfs/dbraw/zinc/36/80/11/246368011.db2.gz VXUYHPYYEPXEFC-UHFFFAOYSA-N 0 3 321.396 3.044 20 30 DGEDHN Cc1cc(CN[C@H](COC(N)=O)Cc2ccccc2)ccc1C#N ZINC000496236809 246369160 /nfs/dbraw/zinc/36/91/60/246369160.db2.gz MEASBUXQQIITAG-SFHVURJKSA-N 0 3 323.396 3.077 20 30 DGEDHN C[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000496056222 246345929 /nfs/dbraw/zinc/34/59/29/246345929.db2.gz ZYYWIUILTSBJIU-KBPBESRZSA-N 0 3 317.433 3.464 20 30 DGEDHN C[C@H]1C[C@@H](CNCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC000496384008 246389308 /nfs/dbraw/zinc/38/93/08/246389308.db2.gz GNEJKDALVAGOBF-GJZGRUSLSA-N 0 3 321.465 3.305 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCc3c2cnn3C)cc1 ZINC000268809865 432138500 /nfs/dbraw/zinc/13/85/00/432138500.db2.gz KNCTXIBVGFJWOZ-KBXCAEBGSA-N 0 3 309.413 3.160 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000171550137 432143927 /nfs/dbraw/zinc/14/39/27/432143927.db2.gz GZUIETSFEBSWCA-MRXNPFEDSA-N 0 3 315.461 3.314 20 30 DGEDHN CC(C)(CCc1ccccc1)NCC(=O)Nc1ccc(C#N)cc1 ZINC000151963149 284592907 /nfs/dbraw/zinc/59/29/07/284592907.db2.gz YYHLHXKUEISIKZ-UHFFFAOYSA-N 0 3 321.424 3.498 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3F)C2)cc1 ZINC000136126774 432146448 /nfs/dbraw/zinc/14/64/48/432146448.db2.gz WRULXJKBLVTRNZ-KRWDZBQOSA-N 0 3 309.388 3.456 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000171606943 432149782 /nfs/dbraw/zinc/14/97/82/432149782.db2.gz WJORGEDPCJPVDA-NVXWUHKLSA-N 0 3 307.482 3.247 20 30 DGEDHN C[C@@H](O)CN(Cc1cn2ccccc2c1C#N)C1CCCCC1 ZINC000104684091 194025489 /nfs/dbraw/zinc/02/54/89/194025489.db2.gz XTCCWMDYGWDAPU-OAHLLOKOSA-N 0 3 311.429 3.326 20 30 DGEDHN C=CCCc1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000273880701 211138450 /nfs/dbraw/zinc/13/84/50/211138450.db2.gz OGKISQLIRWPEQR-ZDUSSCGKSA-N 0 3 301.371 3.211 20 30 DGEDHN C#CCSCCN[C@@H](C)c1cc(Br)ncc1F ZINC000273877818 211136653 /nfs/dbraw/zinc/13/66/53/211136653.db2.gz QEYCQYOYHYFXGV-VIFPVBQESA-N 0 3 317.227 3.000 20 30 DGEDHN COc1ccc(O[C@H](C)CNCc2ccc(C#N)cc2F)cc1 ZINC000269425879 207532117 /nfs/dbraw/zinc/53/21/17/207532117.db2.gz NPWYQXWATYPOGP-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN CCC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1CCOC ZINC000249410795 285072890 /nfs/dbraw/zinc/07/28/90/285072890.db2.gz XVEOHZWMKBWAEG-VQIMIIECSA-N 0 3 315.461 3.052 20 30 DGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccccc2)cc1 ZINC000336878434 253017459 /nfs/dbraw/zinc/01/74/59/253017459.db2.gz FICUDGFQMSVABK-UYAOXDASSA-N 0 3 322.408 3.135 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000337811144 253178105 /nfs/dbraw/zinc/17/81/05/253178105.db2.gz LRZNOLUYBBKMFH-KXBFYZLASA-N 0 3 321.424 3.288 20 30 DGEDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000338368858 253275353 /nfs/dbraw/zinc/27/53/53/253275353.db2.gz NVYUUPYCGKBWHK-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN COCC1(C#N)CCN(CCCCOc2ccccc2)CC1 ZINC000341990079 533111329 /nfs/dbraw/zinc/11/13/29/533111329.db2.gz LOZRNRNWBJLMPA-UHFFFAOYSA-N 0 3 302.418 3.098 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000347062846 533116179 /nfs/dbraw/zinc/11/61/79/533116179.db2.gz GZRFTULJALWCNR-QWRGUYRKSA-N 0 3 309.207 3.046 20 30 DGEDHN CC(C#N)C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000358938851 533113858 /nfs/dbraw/zinc/11/38/58/533113858.db2.gz YUUODXOMUJTION-NHYWBVRUSA-N 0 3 306.793 3.084 20 30 DGEDHN CC(C#N)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000357819615 533118060 /nfs/dbraw/zinc/11/80/60/533118060.db2.gz DZWSAOIGILTHRX-XJKSGUPXSA-N 0 3 312.344 3.222 20 30 DGEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000342573492 254010455 /nfs/dbraw/zinc/01/04/55/254010455.db2.gz VDWULVBKCQGIJQ-AWEZNQCLSA-N 0 3 324.371 3.408 20 30 DGEDHN CCN(CCN1CCCCCC1)c1ncc(C#N)cc1Cl ZINC000343801991 254190173 /nfs/dbraw/zinc/19/01/73/254190173.db2.gz GZOZWZFJYWGBJZ-UHFFFAOYSA-N 0 3 306.841 3.309 20 30 DGEDHN COCc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000344098097 254224454 /nfs/dbraw/zinc/22/44/54/254224454.db2.gz DCGQGKOYVRGJET-UHFFFAOYSA-N 0 3 324.424 3.353 20 30 DGEDHN COCC[C@H](Cc1ccco1)NCc1ccc(C#N)cc1F ZINC000344331201 254257744 /nfs/dbraw/zinc/25/77/44/254257744.db2.gz AWKAQLQKIFXGBE-OAHLLOKOSA-N 0 3 302.349 3.028 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153346025 533186826 /nfs/dbraw/zinc/18/68/26/533186826.db2.gz PWBADESSHSNGMG-GVDBMIGSSA-N 0 3 311.429 3.054 20 30 DGEDHN CC(C)SCCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000290030578 221390019 /nfs/dbraw/zinc/39/00/19/221390019.db2.gz DZOYWEVNYWPPDH-UHFFFAOYSA-N 0 3 314.458 3.190 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1cccc(C#N)c1 ZINC000122088460 195398976 /nfs/dbraw/zinc/39/89/76/195398976.db2.gz GSHUMOZLYKVZGL-HOTGVXAUSA-N 0 3 315.417 3.094 20 30 DGEDHN COc1ccc2c(c1)[C@H](NCc1ccc(OCC#N)cc1)CC2 ZINC000180546747 533298074 /nfs/dbraw/zinc/29/80/74/533298074.db2.gz RSODWTGMEWUOBL-LJQANCHMSA-N 0 3 308.381 3.375 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)c(C)c1OC ZINC000347529699 533354663 /nfs/dbraw/zinc/35/46/63/533354663.db2.gz XCBYWSCSUJJHFH-LBPRGKRZSA-N 0 3 316.382 3.267 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCc2cccc(C)c2C1 ZINC000429571802 533503994 /nfs/dbraw/zinc/50/39/94/533503994.db2.gz YITMQLOIPQMCDI-UHFFFAOYSA-N 0 3 322.408 3.312 20 30 DGEDHN C[C@@H](N[C@H]1CCC(=O)NC12CCC2)c1ccc(C#N)cc1F ZINC000328753919 533541020 /nfs/dbraw/zinc/54/10/20/533541020.db2.gz NXEXHHGZLMILQW-ABAIWWIYSA-N 0 3 301.365 3.390 20 30 DGEDHN C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435126618 533640830 /nfs/dbraw/zinc/64/08/30/533640830.db2.gz ORXRLJVXYBFAHF-JKSUJKDBSA-N 0 3 323.444 3.337 20 30 DGEDHN COc1ccc(CNCCCC#N)c(OCc2cccnc2)c1 ZINC000443989021 533661124 /nfs/dbraw/zinc/66/11/24/533661124.db2.gz NJNHRFBWHPSMAV-UHFFFAOYSA-N 0 3 311.385 3.063 20 30 DGEDHN COC(=O)C[C@@](C)(NCCCCC(C)(C)C#N)c1ccccn1 ZINC000351817395 533665320 /nfs/dbraw/zinc/66/53/20/533665320.db2.gz VYORYEAWEVJUIN-GOSISDBHSA-N 0 3 317.433 3.170 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397210 400085411 /nfs/dbraw/zinc/08/54/11/400085411.db2.gz XOMBCGIBPYCTHJ-INIZCTEOSA-N 0 3 301.434 3.005 20 30 DGEDHN N#C[C@@H](c1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC000595289715 400117463 /nfs/dbraw/zinc/11/74/63/400117463.db2.gz VVJKORQSGIGNGU-FQEVSTJZSA-N 0 3 305.425 3.459 20 30 DGEDHN N#Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000595288974 400117711 /nfs/dbraw/zinc/11/77/11/400117711.db2.gz CVBYBLDHZJBMSS-UHFFFAOYSA-N 0 3 309.388 3.062 20 30 DGEDHN CC[C@@H](C)c1ccc([C@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000066473510 400093184 /nfs/dbraw/zinc/09/31/84/400093184.db2.gz LSPGMOIXBNVMRG-RDTXWAMCSA-N 0 3 301.434 3.127 20 30 DGEDHN COc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)c(OC)c1 ZINC000595059921 400094363 /nfs/dbraw/zinc/09/43/63/400094363.db2.gz IPYTUWAMLVNXPM-CQSZACIVSA-N 0 3 310.397 3.469 20 30 DGEDHN C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1F ZINC000595080300 400101860 /nfs/dbraw/zinc/10/18/60/400101860.db2.gz JQIPNIVYRHNDNP-IAQYHMDHSA-N 0 3 314.335 3.491 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000595250205 400112557 /nfs/dbraw/zinc/11/25/57/400112557.db2.gz MNSOLHZTYZQYMP-CYBMUJFWSA-N 0 3 314.216 3.021 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2ccn(C(F)F)c2c1 ZINC000595255103 400113986 /nfs/dbraw/zinc/11/39/86/400113986.db2.gz JANGEWNWPCZKEM-CYBMUJFWSA-N 0 3 320.343 3.386 20 30 DGEDHN CC(C)[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000008003879 400116420 /nfs/dbraw/zinc/11/64/20/400116420.db2.gz IZAYFOCVFKYHCD-QZTJIDSGSA-N 0 3 319.424 3.167 20 30 DGEDHN CC[C@H](CC(F)F)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000595286057 400117096 /nfs/dbraw/zinc/11/70/96/400117096.db2.gz BLVYXVYNCAKHGO-OAHLLOKOSA-N 0 3 321.415 3.357 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000600679934 400127813 /nfs/dbraw/zinc/12/78/13/400127813.db2.gz IVPCNYGYDHSBNW-HZPDHXFCSA-N 0 3 300.446 3.459 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCCCC)CC1 ZINC000066921560 400128835 /nfs/dbraw/zinc/12/88/35/400128835.db2.gz FIZCCLABFMMPLC-UHFFFAOYSA-N 0 3 314.429 3.149 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cnccc1C#N ZINC000091733449 400133393 /nfs/dbraw/zinc/13/33/93/400133393.db2.gz NOMYAVUBEBAFSI-QAPCUYQASA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000092072166 400152590 /nfs/dbraw/zinc/15/25/90/400152590.db2.gz QRGVKPKXUNOZAO-ZBFHGGJFSA-N 0 3 310.401 3.080 20 30 DGEDHN CO[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CCCC1 ZINC000595472597 400161488 /nfs/dbraw/zinc/16/14/88/400161488.db2.gz NUDWMTGDRHVWDI-KRWDZBQOSA-N 0 3 313.445 3.144 20 30 DGEDHN CC(C)(C#N)CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000595504015 400170255 /nfs/dbraw/zinc/17/02/55/400170255.db2.gz CXAULJDIPLNZHF-UHFFFAOYSA-N 0 3 307.388 3.417 20 30 DGEDHN C[C@@H](NC(=O)CCCCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000588683576 400221930 /nfs/dbraw/zinc/22/19/30/400221930.db2.gz XRJXPAVLQAGLMD-QAPCUYQASA-N 0 3 301.434 3.268 20 30 DGEDHN COC[C@H](NCCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000595683787 400225477 /nfs/dbraw/zinc/22/54/77/400225477.db2.gz KMVNGMMABUQAHR-IBGZPJMESA-N 0 3 310.397 3.087 20 30 DGEDHN CN(C)CCOc1ccc(CN(CCC#N)CC(C)(C)C)cc1 ZINC000093101108 400226220 /nfs/dbraw/zinc/22/62/20/400226220.db2.gz VEMYHBMRXAXAPE-UHFFFAOYSA-N 0 3 317.477 3.389 20 30 DGEDHN Cc1cc(C)c(C#N)c(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1 ZINC000610281871 400234525 /nfs/dbraw/zinc/23/45/25/400234525.db2.gz SXQZEYQBAUYJHZ-GOSISDBHSA-N 0 3 320.440 3.281 20 30 DGEDHN CN(CC(=O)NC1(C#N)CCC1)C1CC(C)(C)CC(C)(C)C1 ZINC000595704306 400236461 /nfs/dbraw/zinc/23/64/61/400236461.db2.gz KVYRHGYAQGOGIS-UHFFFAOYSA-N 0 3 305.466 3.086 20 30 DGEDHN C=CCC1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000595780487 400256266 /nfs/dbraw/zinc/25/62/66/400256266.db2.gz STBCUGCFVIPZBR-UHFFFAOYSA-N 0 3 317.389 3.320 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000595734303 400246192 /nfs/dbraw/zinc/24/61/92/400246192.db2.gz RCTATSNKDHGCPQ-RCCFBDPRSA-N 0 3 312.413 3.112 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCCCC#N)C1 ZINC000588153388 400192143 /nfs/dbraw/zinc/19/21/43/400192143.db2.gz JTWGAFOZXPGAEB-WMZOPIPTSA-N 0 3 313.445 3.412 20 30 DGEDHN N#Cc1ccc(CNc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000609851442 400195777 /nfs/dbraw/zinc/19/57/77/400195777.db2.gz KQKBBNDKHKGDIQ-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1SCC#N ZINC000595602541 400200483 /nfs/dbraw/zinc/20/04/83/400200483.db2.gz WROVUQJOPYTBBA-CYBMUJFWSA-N 0 3 305.447 3.361 20 30 DGEDHN N#CC[C@@H]1CCCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000595619470 400209617 /nfs/dbraw/zinc/20/96/17/400209617.db2.gz BPKOLEQTZSLJRU-QFBILLFUSA-N 0 3 314.429 3.370 20 30 DGEDHN N#Cc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1 ZINC000610052392 400209758 /nfs/dbraw/zinc/20/97/58/400209758.db2.gz HIFRHRIVDFAOJN-UHFFFAOYSA-N 0 3 319.408 3.301 20 30 DGEDHN CC(C)(NCCC(=O)Nc1ccccc1)c1cccc(C#N)c1 ZINC000595635843 400213473 /nfs/dbraw/zinc/21/34/73/400213473.db2.gz MPDGZIRJPFKQBX-UHFFFAOYSA-N 0 3 307.397 3.412 20 30 DGEDHN COc1ccc(OCCNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595636670 400213628 /nfs/dbraw/zinc/21/36/28/400213628.db2.gz URNPNQAQTGWGAP-UHFFFAOYSA-N 0 3 310.397 3.471 20 30 DGEDHN CC(C)(NCCOc1ccccc1C#N)c1cccc(C#N)c1 ZINC000595636615 400213768 /nfs/dbraw/zinc/21/37/68/400213768.db2.gz SWUKPAYBMZJTNO-UHFFFAOYSA-N 0 3 305.381 3.334 20 30 DGEDHN CC(C)(NCC[S@@](=O)c1ccccc1)c1cccc(C#N)c1 ZINC000595635860 400214137 /nfs/dbraw/zinc/21/41/37/400214137.db2.gz NLOUTVFNPMGNKD-JOCHJYFZSA-N 0 3 312.438 3.191 20 30 DGEDHN CCc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)N(C)C)cc1 ZINC000024053838 400215953 /nfs/dbraw/zinc/21/59/53/400215953.db2.gz CVIXPRREAACFNV-SFHVURJKSA-N 0 3 323.444 3.242 20 30 DGEDHN CN1CCN(Cc2ccc(NCC(C)(C)CCC#N)cc2)CC1 ZINC000610909679 400322717 /nfs/dbraw/zinc/32/27/17/400322717.db2.gz JMLCUELKPVFOKV-UHFFFAOYSA-N 0 3 314.477 3.176 20 30 DGEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H](O)C(F)(F)F ZINC000601301122 400286424 /nfs/dbraw/zinc/28/64/24/400286424.db2.gz RNWUQRSBTBRWTR-NZVBXONLSA-N 0 3 312.335 3.227 20 30 DGEDHN N#CC[C@@H]1CCCN(CCOc2cccc(Br)c2)C1 ZINC000397810917 400287247 /nfs/dbraw/zinc/28/72/47/400287247.db2.gz IHXDCNCKTBAFQH-ZDUSSCGKSA-N 0 3 323.234 3.454 20 30 DGEDHN COCCN(CCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000610681460 400290756 /nfs/dbraw/zinc/29/07/56/400290756.db2.gz IPBMRNIZPUQVSH-UHFFFAOYSA-N 0 3 304.434 3.212 20 30 DGEDHN C=CCCSCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000595939193 400296293 /nfs/dbraw/zinc/29/62/93/400296293.db2.gz HFRAIFCVLGLGRJ-HNNXBMFYSA-N 0 3 306.475 3.138 20 30 DGEDHN C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)[C@@H](N)c1ccccc1 ZINC000595959151 400297179 /nfs/dbraw/zinc/29/71/79/400297179.db2.gz AKZZKDCGLXUSRL-KBXCAEBGSA-N 0 3 321.424 3.246 20 30 DGEDHN C[C@@H](NC(=O)c1ccccc1CC#N)[C@H](c1ccccc1)N(C)C ZINC000601456783 400303198 /nfs/dbraw/zinc/30/31/98/400303198.db2.gz XTHGUZPNTRFZJH-DNVCBOLYSA-N 0 3 321.424 3.174 20 30 DGEDHN Cc1ccc(C#N)nc1NC[C@@H](C)N1CCc2ccccc2C1 ZINC000596077773 400310802 /nfs/dbraw/zinc/31/08/02/400310802.db2.gz YJAWGULMTOOJPQ-OAHLLOKOSA-N 0 3 306.413 3.120 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2cccc(C)c2)CC1 ZINC000106038097 400325357 /nfs/dbraw/zinc/32/53/57/400325357.db2.gz SKDZFGIAWYZFIJ-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN N#Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000069221184 400317725 /nfs/dbraw/zinc/31/77/25/400317725.db2.gz AKLHXCCUKMMISJ-KRWDZBQOSA-N 0 3 312.417 3.040 20 30 DGEDHN C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1cccc(C#N)c1 ZINC000601942163 400382060 /nfs/dbraw/zinc/38/20/60/400382060.db2.gz RVLNGCICRKUQHS-LLVKDONJSA-N 0 3 308.307 3.124 20 30 DGEDHN N#Cc1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000611402435 400394588 /nfs/dbraw/zinc/39/45/88/400394588.db2.gz ASDNEYFNQYWQMM-QFBILLFUSA-N 0 3 307.397 3.211 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCn1ccc(C(F)(F)F)n1)CC2 ZINC000601962510 400388382 /nfs/dbraw/zinc/38/83/82/400388382.db2.gz DIERIHWPXPBJNI-CQSZACIVSA-N 0 3 320.318 3.051 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000030532663 400328205 /nfs/dbraw/zinc/32/82/05/400328205.db2.gz LBCLJFBSNFIMSZ-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1ccc(C#N)nc1NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000596172753 400340566 /nfs/dbraw/zinc/34/05/66/400340566.db2.gz YDGCZVWNURRIFW-OAHLLOKOSA-N 0 3 321.428 3.294 20 30 DGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCCC[C@H]1O ZINC000579599618 400340829 /nfs/dbraw/zinc/34/08/29/400340829.db2.gz USILRTCVYXWNFG-QZTJIDSGSA-N 0 3 305.466 3.393 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC(C4CC4)CC3)C2=O)cc1 ZINC000590008063 400347825 /nfs/dbraw/zinc/34/78/25/400347825.db2.gz BIGUUAPOLQODFG-LJQANCHMSA-N 0 3 323.440 3.176 20 30 DGEDHN CN1CCCC(C)(C)[C@H]1CNc1nc2ncccc2cc1C#N ZINC000596216477 400353017 /nfs/dbraw/zinc/35/30/17/400353017.db2.gz KANYYEBVSNHASE-OAHLLOKOSA-N 0 3 309.417 3.034 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOc1ncccc1F ZINC000611394467 400392722 /nfs/dbraw/zinc/39/27/22/400392722.db2.gz KQQQWAIPEOUZLC-QGZVFWFLSA-N 0 3 311.360 3.138 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC000590168613 400366690 /nfs/dbraw/zinc/36/66/90/400366690.db2.gz FOQVWNHWVGMLJS-RDJZCZTQSA-N 0 3 302.393 3.499 20 30 DGEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)cc(C#N)c1[N+](=O)[O-] ZINC000596297586 400374362 /nfs/dbraw/zinc/37/43/62/400374362.db2.gz RKWZBGVDGQBDTA-CVEARBPZSA-N 0 3 314.389 3.204 20 30 DGEDHN Cc1cc(NC[C@@H]2CCN2C(C)(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000596309564 400376911 /nfs/dbraw/zinc/37/69/11/400376911.db2.gz VPPJNGKWXBYWMC-ZDUSSCGKSA-N 0 3 302.378 3.060 20 30 DGEDHN N#CCN1CCC(NC(c2ccccc2)c2ccccc2)CC1 ZINC000611519278 400414484 /nfs/dbraw/zinc/41/44/84/400414484.db2.gz LJLCOLSZEHVHBU-UHFFFAOYSA-N 0 3 305.425 3.354 20 30 DGEDHN CCCc1ccc2nccc(NC3CCN(CC#N)CC3)c2c1 ZINC000590690005 400416177 /nfs/dbraw/zinc/41/61/77/400416177.db2.gz SDJUUUIPMHYGIN-UHFFFAOYSA-N 0 3 308.429 3.009 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2C(C)C)CC1 ZINC000117493417 400418666 /nfs/dbraw/zinc/41/86/66/400418666.db2.gz QWRXTNFISRWYQN-QGZVFWFLSA-N 0 3 307.482 3.247 20 30 DGEDHN COc1ccc2c(c1)C[C@H](N[C@H]1CCc3cc(C#N)ccc31)CO2 ZINC000590778463 400432887 /nfs/dbraw/zinc/43/28/87/400432887.db2.gz JKWURYRTBKWIFF-LPHOPBHVSA-N 0 3 320.392 3.147 20 30 DGEDHN COc1ccc2c(c1)C[C@H](N[C@@H](C)c1cccc(C#N)c1)CO2 ZINC000590778030 400433479 /nfs/dbraw/zinc/43/34/79/400433479.db2.gz SWAHYCALFNXZIZ-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN CCOc1ccccc1N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602429295 400459129 /nfs/dbraw/zinc/45/91/29/400459129.db2.gz PAOMTBCDTCGNPO-MRXNPFEDSA-N 0 3 301.434 3.147 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000602429154 400459729 /nfs/dbraw/zinc/45/97/29/400459729.db2.gz MPXPCWJBHLOBDO-MRXNPFEDSA-N 0 3 301.434 3.256 20 30 DGEDHN C[C@@]1(C#N)CCCN(CCCCN2CCC[C@@](C)(C#N)C2)C1 ZINC000612161345 400501019 /nfs/dbraw/zinc/50/10/19/400501019.db2.gz SGSMULSWAKCAPQ-ROUUACIJSA-N 0 3 302.466 3.018 20 30 DGEDHN Cc1cc(-c2ccccc2CN2CCN(C)CC2)ccc1CC#N ZINC000596639225 400468157 /nfs/dbraw/zinc/46/81/57/400468157.db2.gz MDOSVKKPPQDLQL-UHFFFAOYSA-N 0 3 319.452 3.476 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596640948 400469003 /nfs/dbraw/zinc/46/90/03/400469003.db2.gz RNBXINZJXPKKRP-CYBMUJFWSA-N 0 3 320.824 3.206 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@@H]1SC ZINC000590964542 400470626 /nfs/dbraw/zinc/47/06/26/400470626.db2.gz IWQBNMXCVMIAQD-KFWWJZLASA-N 0 3 310.850 3.210 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1cccc(C#N)n1 ZINC000602471190 400470587 /nfs/dbraw/zinc/47/05/87/400470587.db2.gz JRTXPFNQPHHDGJ-KRWDZBQOSA-N 0 3 320.440 3.050 20 30 DGEDHN C[C@@H](CC#N)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000596657485 400473934 /nfs/dbraw/zinc/47/39/34/400473934.db2.gz MYMUQOMSPPYXEV-GJZGRUSLSA-N 0 3 319.474 3.187 20 30 DGEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCC1(C#N)CCCCC1)CC2 ZINC000591014912 400475563 /nfs/dbraw/zinc/47/55/63/400475563.db2.gz JOQNXTSYZXWPMP-IAGOWNOFSA-N 0 3 320.477 3.102 20 30 DGEDHN N#CC1(CCN2CCCN(C[C@H]3CCCO3)CC2)CCCCC1 ZINC000591011298 400476165 /nfs/dbraw/zinc/47/61/65/400476165.db2.gz CPPGUHJVVQAHSD-GOSISDBHSA-N 0 3 319.493 3.037 20 30 DGEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1F ZINC000602504596 400481477 /nfs/dbraw/zinc/48/14/77/400481477.db2.gz AEACWFJQBXQGOG-CYBMUJFWSA-N 0 3 306.381 3.023 20 30 DGEDHN Cc1ccc(OCCN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602501049 400481844 /nfs/dbraw/zinc/48/18/44/400481844.db2.gz CWIWLGDKAZCMHM-MRXNPFEDSA-N 0 3 302.418 3.062 20 30 DGEDHN COCc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602506120 400482692 /nfs/dbraw/zinc/48/26/92/400482692.db2.gz HNIYXYWMXPCZRH-OAHLLOKOSA-N 0 3 302.418 3.022 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](c1ccsc1)N(C)C ZINC000602512731 400483683 /nfs/dbraw/zinc/48/36/83/400483683.db2.gz SYBOEFUSWLDNIW-HOCLYGCPSA-N 0 3 321.490 3.039 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000591088340 400485707 /nfs/dbraw/zinc/48/57/07/400485707.db2.gz TWUXQXLUDJPLOL-IPMKNSEASA-N 0 3 321.424 3.183 20 30 DGEDHN CCOc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602521086 400487353 /nfs/dbraw/zinc/48/73/53/400487353.db2.gz LSSSGMKBOBFIOJ-OAHLLOKOSA-N 0 3 302.418 3.274 20 30 DGEDHN Cc1ccc(CN(CC(C)C)C(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000602526465 400488701 /nfs/dbraw/zinc/48/87/01/400488701.db2.gz XCNHPGKZRATNLY-GOSISDBHSA-N 0 3 315.461 3.309 20 30 DGEDHN C[C@H](NC(C)(C)CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602546134 400493283 /nfs/dbraw/zinc/49/32/83/400493283.db2.gz PBMFLVAOLCKFNL-HNNXBMFYSA-N 0 3 308.429 3.172 20 30 DGEDHN N#CCC1(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000602786527 400573992 /nfs/dbraw/zinc/57/39/92/400573992.db2.gz HBFZBCGKUPSBHN-UHFFFAOYSA-N 0 3 315.392 3.170 20 30 DGEDHN C[C@@H](CCC#N)CNCc1ccncc1OCC(F)(F)F ZINC000602654733 400526411 /nfs/dbraw/zinc/52/64/11/400526411.db2.gz JACHNWGVYSQQDT-NSHDSACASA-N 0 3 301.312 3.052 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)NCC3(CC#N)CC3)ccc2NC1=O ZINC000602803938 400578701 /nfs/dbraw/zinc/57/87/01/400578701.db2.gz FJLWLGUJEZOLNM-WFASDCNBSA-N 0 3 313.401 3.141 20 30 DGEDHN Cc1noc(C2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)n1 ZINC000596984239 400533756 /nfs/dbraw/zinc/53/37/56/400533756.db2.gz CYANLXLUFROWGH-UHFFFAOYSA-N 0 3 322.412 3.313 20 30 DGEDHN N#Cc1ccc(CNC(=O)[C@H]2CCCCN2C2CCCC2)s1 ZINC000591535456 400536556 /nfs/dbraw/zinc/53/65/56/400536556.db2.gz QAHQQBFBYNOISV-MRXNPFEDSA-N 0 3 317.458 3.033 20 30 DGEDHN N#CC1(c2ccc(CN3CCC[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000596997224 400537605 /nfs/dbraw/zinc/53/76/05/400537605.db2.gz BBDGDGDTXAHDDQ-GOSISDBHSA-N 0 3 306.413 3.275 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1OC)C(C)C ZINC000046049371 400546962 /nfs/dbraw/zinc/54/69/62/400546962.db2.gz HXQMKLHIIZTDJB-KRWDZBQOSA-N 0 3 316.445 3.124 20 30 DGEDHN COCc1csc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602709739 400548512 /nfs/dbraw/zinc/54/85/12/400548512.db2.gz IVVZCIUXBDHEOL-CYBMUJFWSA-N 0 3 308.447 3.083 20 30 DGEDHN Cc1nn(-c2ccccc2)cc1CCCNC[C@H](C#N)CCC#N ZINC000591726078 400552625 /nfs/dbraw/zinc/55/26/25/400552625.db2.gz IQLNIIKDWBROHO-KRWDZBQOSA-N 0 3 321.428 3.146 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCCC(=O)Nc1ccccc1F ZINC000591763884 400554725 /nfs/dbraw/zinc/55/47/25/400554725.db2.gz PESCMAAESDTRHL-QGZVFWFLSA-N 0 3 323.371 3.303 20 30 DGEDHN Cc1c(F)cccc1NC(=O)CCNCc1ccc(C#N)s1 ZINC000591770965 400554807 /nfs/dbraw/zinc/55/48/07/400554807.db2.gz WVUFTEMMNPLALN-UHFFFAOYSA-N 0 3 317.389 3.186 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)CCc2ccccc2)cc1Cl ZINC000591765703 400554845 /nfs/dbraw/zinc/55/48/45/400554845.db2.gz BFUZLSJRJHPCLS-QGZVFWFLSA-N 0 3 314.816 3.295 20 30 DGEDHN Cc1cnn([C@@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000597131627 400566401 /nfs/dbraw/zinc/56/64/01/400566401.db2.gz CKSMEAWXIUIIKW-GOSISDBHSA-N 0 3 306.413 3.194 20 30 DGEDHN N#Cc1ccccc1OCCN1CC[C@H](Oc2ccccc2)C1 ZINC000592136402 400613051 /nfs/dbraw/zinc/61/30/51/400613051.db2.gz SAGCLEGCVUXKII-SFHVURJKSA-N 0 3 308.381 3.090 20 30 DGEDHN CC(C)(C)c1ccc(OCCCN2CC[C@](O)(CC#N)C2)cc1 ZINC000592147093 400614221 /nfs/dbraw/zinc/61/42/21/400614221.db2.gz LUESHIULDDOTLU-LJQANCHMSA-N 0 3 316.445 3.103 20 30 DGEDHN Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@](O)(CC#N)C1 ZINC000592148717 400614426 /nfs/dbraw/zinc/61/44/26/400614426.db2.gz ZYPHUUHVZZEHTB-LJQANCHMSA-N 0 3 300.446 3.451 20 30 DGEDHN C[C@@H](CN1CC[C@](O)(CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000592152885 400615095 /nfs/dbraw/zinc/61/50/95/400615095.db2.gz GDMYSUCCVKBWKP-SWLSCSKDSA-N 0 3 312.335 3.159 20 30 DGEDHN C[C@H](CC#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000597402536 400625471 /nfs/dbraw/zinc/62/54/71/400625471.db2.gz CTQWDGIKWXKDFE-OAHLLOKOSA-N 0 3 315.417 3.040 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC000144759967 400643163 /nfs/dbraw/zinc/64/31/63/400643163.db2.gz GCWMVCKOCMQRAW-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN N#Cc1ccccc1N1CCN(CCCc2ccccc2)CC1 ZINC000143047828 400633438 /nfs/dbraw/zinc/63/34/38/400633438.db2.gz PWJSQGQAIBDABU-UHFFFAOYSA-N 0 3 305.425 3.313 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccsc2)CC1 ZINC000592298598 400634269 /nfs/dbraw/zinc/63/42/69/400634269.db2.gz MYBJHCJUQYMIQO-AWEZNQCLSA-N 0 3 321.490 3.019 20 30 DGEDHN Cc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1C#N ZINC000618593476 400636613 /nfs/dbraw/zinc/63/66/13/400636613.db2.gz MGDGIVJQBWCYRA-BGYRXZFFSA-N 0 3 317.436 3.435 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](c3ccnc(C)n3)C2)ccc1C#N ZINC000618593583 400637176 /nfs/dbraw/zinc/63/71/76/400637176.db2.gz MIENMCABEMIWHS-GOSISDBHSA-N 0 3 306.413 3.345 20 30 DGEDHN N#CCCCOc1cccc(CNCc2ccc(CO)cc2)c1 ZINC000592372435 400639753 /nfs/dbraw/zinc/63/97/53/400639753.db2.gz XTGNKOYOQKCUBB-UHFFFAOYSA-N 0 3 310.397 3.151 20 30 DGEDHN COC(=O)c1ccc2c(c1)[C@@H](CNCc1ccc(C#N)o1)CCC2 ZINC000597200156 400586486 /nfs/dbraw/zinc/58/64/86/400586486.db2.gz GOSORXHYOYFWKR-OAHLLOKOSA-N 0 3 324.380 3.148 20 30 DGEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1(CO)CC1 ZINC000597254836 400600096 /nfs/dbraw/zinc/60/00/96/400600096.db2.gz MAHHAVUBSRVDHA-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc(C)c(Cl)c2)CC1 ZINC000592069405 400601470 /nfs/dbraw/zinc/60/14/70/400601470.db2.gz GQCDAIJZORGACB-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(CCCC)cc2)CC1 ZINC000592069517 400601512 /nfs/dbraw/zinc/60/15/12/400601512.db2.gz VNKKMZLUTRUPOA-UHFFFAOYSA-N 0 3 300.446 3.409 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000592076615 400602861 /nfs/dbraw/zinc/60/28/61/400602861.db2.gz FZMIBRZTKNZZJZ-KRWDZBQOSA-N 0 3 314.433 3.391 20 30 DGEDHN C[C@H](CC#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000597277849 400605694 /nfs/dbraw/zinc/60/56/94/400605694.db2.gz IILANPZHFFOQBB-RYRKJORJSA-N 0 3 313.445 3.048 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@](C)(CC)c1ccc(F)cc1 ZINC000602924238 400608734 /nfs/dbraw/zinc/60/87/34/400608734.db2.gz MMFTXWPLGOKODZ-KBXCAEBGSA-N 0 3 319.424 3.049 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000592481678 400657208 /nfs/dbraw/zinc/65/72/08/400657208.db2.gz KTYNRDGTFPRYDU-XYJFISCASA-N 0 3 319.493 3.295 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)n1cc(CNC2CCCCC2)nn1 ZINC000603229537 400658988 /nfs/dbraw/zinc/65/89/88/400658988.db2.gz ZWQXFUUDNHODLA-AWEZNQCLSA-N 0 3 309.417 3.181 20 30 DGEDHN COCc1cc(C#N)ccc1NC[C@@H](c1ccsc1)N(C)C ZINC000603272001 400662723 /nfs/dbraw/zinc/66/27/23/400662723.db2.gz OUAKDUOIWPJVBU-KRWDZBQOSA-N 0 3 315.442 3.481 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CCC)C2CCCCC2)CC1 ZINC000076836085 400675759 /nfs/dbraw/zinc/67/57/59/400675759.db2.gz GNWVBIFCOVZDIU-SFHVURJKSA-N 0 3 304.478 3.197 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597827012 400677632 /nfs/dbraw/zinc/67/76/32/400677632.db2.gz SNEVMSICMCKNNG-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN COCCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742329 400680567 /nfs/dbraw/zinc/68/05/67/400680567.db2.gz WXMDXFZAEWMVND-HXUWFJFHSA-N 0 3 322.408 3.361 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000597864252 400682963 /nfs/dbraw/zinc/68/29/63/400682963.db2.gz MCDNIJNJZYUFSR-WBVHZDCISA-N 0 3 307.397 3.074 20 30 DGEDHN N#Cc1cccc(CN2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000592982921 400724710 /nfs/dbraw/zinc/72/47/10/400724710.db2.gz MEICGKSOUQHICG-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN C#C[C@H](C)NCc1ccc(Br)c(Br)c1 ZINC000166389895 400754488 /nfs/dbraw/zinc/75/44/88/400754488.db2.gz DREGDTAKMMFFIQ-QMMMGPOBSA-N 0 3 317.024 3.323 20 30 DGEDHN N#Cc1ccsc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593003125 400730360 /nfs/dbraw/zinc/73/03/60/400730360.db2.gz KPBMNCKRPAQQGT-NXEZZACHSA-N 0 3 318.320 3.306 20 30 DGEDHN C=CCC1(NC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000598178052 400755234 /nfs/dbraw/zinc/75/52/34/400755234.db2.gz OCHBKOUSCCESSS-KRWDZBQOSA-N 0 3 312.413 3.000 20 30 DGEDHN C[C@H](C#N)N(C(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000598137776 400749727 /nfs/dbraw/zinc/74/97/27/400749727.db2.gz RBIHBBPUFNKEBX-OAHLLOKOSA-N 0 3 311.429 3.189 20 30 DGEDHN Cc1cc(C)cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000598142954 400751026 /nfs/dbraw/zinc/75/10/26/400751026.db2.gz XARYJNTUOLQQFU-LJQANCHMSA-N 0 3 317.392 3.174 20 30 DGEDHN Cc1cc(C#N)cc(C)c1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000154157565 400691707 /nfs/dbraw/zinc/69/17/07/400691707.db2.gz OGCLTDTZCGWMFP-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN COC[C@H](Cc1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618804230 400693288 /nfs/dbraw/zinc/69/32/88/400693288.db2.gz KLUKOOJJYYDYOD-AZUAARDMSA-N 0 3 306.409 3.393 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000077195107 400694299 /nfs/dbraw/zinc/69/42/99/400694299.db2.gz JBJNBLCIFRRKSR-SFHVURJKSA-N 0 3 313.445 3.366 20 30 DGEDHN CC[C@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000597922624 400698112 /nfs/dbraw/zinc/69/81/12/400698112.db2.gz JMWYZLZHVLGQIB-QZTJIDSGSA-N 0 3 314.429 3.080 20 30 DGEDHN CN(C)Cc1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 ZINC000597948126 400702180 /nfs/dbraw/zinc/70/21/80/400702180.db2.gz FARYEGHLVNOCPT-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(Br)cc1 ZINC000051767015 400707406 /nfs/dbraw/zinc/70/74/06/400707406.db2.gz WBDIFAHCGXLZSZ-UHFFFAOYSA-N 0 3 323.234 3.452 20 30 DGEDHN CN1CC[C@@H]2[C@@H](CCCN2c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613429375 400717578 /nfs/dbraw/zinc/71/75/78/400717578.db2.gz KQNBVSLRWLVFIK-JKSUJKDBSA-N 0 3 312.461 3.171 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000171734622 400805726 /nfs/dbraw/zinc/80/57/26/400805726.db2.gz QZGKTDKHDOFDOB-DOTOQJQBSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604920755 400814646 /nfs/dbraw/zinc/81/46/46/400814646.db2.gz IUBSPJOTIXUFHN-WMZOPIPTSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000604912419 400814772 /nfs/dbraw/zinc/81/47/72/400814772.db2.gz ZMSGSJRKSCNZQH-WMLDXEAASA-N 0 3 303.450 3.116 20 30 DGEDHN Cc1nnc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c(C#N)c1C ZINC000604304573 400762093 /nfs/dbraw/zinc/76/20/93/400762093.db2.gz DPHGOONMIHMMGA-WBVHZDCISA-N 0 3 321.428 3.213 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(C#N)ccc1Cl ZINC000598261309 400771419 /nfs/dbraw/zinc/77/14/19/400771419.db2.gz QGYBNKXQISOEEK-CYBMUJFWSA-N 0 3 319.836 3.062 20 30 DGEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000604484166 400779104 /nfs/dbraw/zinc/77/91/04/400779104.db2.gz ABLMNHSIRRNXAW-IBGZPJMESA-N 0 3 308.381 3.480 20 30 DGEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000604484255 400779542 /nfs/dbraw/zinc/77/95/42/400779542.db2.gz IZBOXILGUQNLQO-IBGZPJMESA-N 0 3 308.381 3.480 20 30 DGEDHN CN(CCOc1ccc(C#N)cc1)CCOc1ccccc1F ZINC000053421092 400782795 /nfs/dbraw/zinc/78/27/95/400782795.db2.gz QQBMYEFHQRXJMK-UHFFFAOYSA-N 0 3 314.360 3.087 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1C)C(C)(C)C ZINC000180083636 400881879 /nfs/dbraw/zinc/88/18/79/400881879.db2.gz GPWJOTKRCZGOCB-GOSISDBHSA-N 0 3 315.461 3.434 20 30 DGEDHN Cc1ccccc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000054425092 400824700 /nfs/dbraw/zinc/82/47/00/400824700.db2.gz ISBYIOXSIDRUAJ-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605764762 400884771 /nfs/dbraw/zinc/88/47/71/400884771.db2.gz ZZQQUPSWXJWYOA-RDJZCZTQSA-N 0 3 318.436 3.428 20 30 DGEDHN COCC1(NC(=O)C(C#N)CCc2ccccc2)CCCCC1 ZINC000598549640 400829239 /nfs/dbraw/zinc/82/92/39/400829239.db2.gz ATUJBNXQWMGCFF-KRWDZBQOSA-N 0 3 314.429 3.224 20 30 DGEDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598584431 400835484 /nfs/dbraw/zinc/83/54/84/400835484.db2.gz LXNLTSCLTCBULX-AWEZNQCLSA-N 0 3 314.351 3.438 20 30 DGEDHN CN(Cc1ccccc1N1CCCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598585029 400836266 /nfs/dbraw/zinc/83/62/66/400836266.db2.gz OEDMGHFYXPXSMB-KRWDZBQOSA-N 0 3 315.461 3.019 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000598595730 400840002 /nfs/dbraw/zinc/84/00/02/400840002.db2.gz GZAMFCFCVFHBMW-KGLIPLIRSA-N 0 3 322.836 3.094 20 30 DGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598600209 400841735 /nfs/dbraw/zinc/84/17/35/400841735.db2.gz IGHBKVRBWCPJQR-GDBMZVCRSA-N 0 3 304.434 3.425 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2cccc(F)c2F)CC1 ZINC000598606347 400843305 /nfs/dbraw/zinc/84/33/05/400843305.db2.gz DRHSQAVEGHCKOW-CQSZACIVSA-N 0 3 322.399 3.445 20 30 DGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)CC(C)(C)C#N ZINC000598622032 400846031 /nfs/dbraw/zinc/84/60/31/400846031.db2.gz KJSIPBSHAZRDQH-CYBMUJFWSA-N 0 3 324.852 3.474 20 30 DGEDHN CNC(=O)[C@H](CC(C)C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508632 400858030 /nfs/dbraw/zinc/85/80/30/400858030.db2.gz PWUNOUSJAIZDPA-ROUUACIJSA-N 0 3 313.445 3.076 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Cl)cc1Cl ZINC000598703283 400860970 /nfs/dbraw/zinc/86/09/70/400860970.db2.gz FJSDCPGKHNBEBF-LBPRGKRZSA-N 0 3 301.217 3.384 20 30 DGEDHN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCCSCC#N ZINC000593994206 400938790 /nfs/dbraw/zinc/93/87/90/400938790.db2.gz WEMSFEMGDDGEPM-CQSZACIVSA-N 0 3 323.893 3.497 20 30 DGEDHN Cc1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593688924 400891845 /nfs/dbraw/zinc/89/18/45/400891845.db2.gz YFKWKKQBUHQKDS-UHFFFAOYSA-N 0 3 309.413 3.214 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000606704242 400951770 /nfs/dbraw/zinc/95/17/70/400951770.db2.gz SSZDREUXNUFHPL-SFHVURJKSA-N 0 3 319.493 3.249 20 30 DGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000593714124 400898001 /nfs/dbraw/zinc/89/80/01/400898001.db2.gz MEWRAJUWHLRNBG-NWANDNLSSA-N 0 3 318.417 3.445 20 30 DGEDHN N#Cc1ccc(CNCc2ccccc2-n2cncn2)cc1Cl ZINC000619748841 400898358 /nfs/dbraw/zinc/89/83/58/400898358.db2.gz QHAOEXSOUMMSJR-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)c1 ZINC000182939128 400898819 /nfs/dbraw/zinc/89/88/19/400898819.db2.gz HFDYAKXEHRPQGJ-MRXNPFEDSA-N 0 3 313.445 3.297 20 30 DGEDHN C[C@@H](CCc1ccccc1)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000055901114 400900492 /nfs/dbraw/zinc/90/04/92/400900492.db2.gz KRGXGEUTSLOCJM-KRWDZBQOSA-N 0 3 320.440 3.097 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(CCC)C1)c1ccccc1 ZINC000619902199 400916755 /nfs/dbraw/zinc/91/67/55/400916755.db2.gz BUZPHWBYFRHQFN-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000194014555 400919734 /nfs/dbraw/zinc/91/97/34/400919734.db2.gz LXULDYGABWEHEM-SJLPKXTDSA-N 0 3 301.434 3.090 20 30 DGEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000080231091 400933525 /nfs/dbraw/zinc/93/35/25/400933525.db2.gz NYZMIICNRJOPDH-YJBOKZPZSA-N 0 3 306.413 3.418 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000606974990 400992777 /nfs/dbraw/zinc/99/27/77/400992777.db2.gz JYGKQIKQKQKKKC-QGZVFWFLSA-N 0 3 309.498 3.495 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594085302 400979468 /nfs/dbraw/zinc/97/94/68/400979468.db2.gz UYANNLWBHGNHSH-IAGOWNOFSA-N 0 3 312.417 3.005 20 30 DGEDHN CC(C#N)C(=O)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC000594396556 401056733 /nfs/dbraw/zinc/05/67/33/401056733.db2.gz AXVIMUAEVHKQSS-GFCCVEGCSA-N 0 3 306.356 3.296 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000594424490 401061489 /nfs/dbraw/zinc/06/14/89/401061489.db2.gz FIPZRHZUCGBTPE-USCDJENESA-N 0 3 317.477 3.119 20 30 DGEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1(F)F ZINC000599512715 401062463 /nfs/dbraw/zinc/06/24/63/401062463.db2.gz LOWVCIMQMKICDX-CHWSQXEVSA-N 0 3 321.371 3.110 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000594430076 401065867 /nfs/dbraw/zinc/06/58/67/401065867.db2.gz YLHPCTQLKDJYFC-QGZVFWFLSA-N 0 3 315.417 3.358 20 30 DGEDHN CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594429129 401066357 /nfs/dbraw/zinc/06/63/57/401066357.db2.gz QZVZXVNZAYYVQR-CYBMUJFWSA-N 0 3 309.797 3.088 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNC(C)(C)c1nc2ccccc2s1 ZINC000599534087 401070167 /nfs/dbraw/zinc/07/01/67/401070167.db2.gz WSFBHJVXGRJGFK-GFCCVEGCSA-N 0 3 317.458 3.422 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1c(F)cccc1Cl ZINC000594445635 401071515 /nfs/dbraw/zinc/07/15/15/401071515.db2.gz JIQHMRLUUMBWND-ZWNOBZJWSA-N 0 3 311.788 3.068 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC23CCC3)cc1Cl ZINC000081545051 401075503 /nfs/dbraw/zinc/07/55/03/401075503.db2.gz AEOSQPFDYOGGKS-UHFFFAOYSA-N 0 3 303.793 3.169 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(C)cc1 ZINC000599346092 401028368 /nfs/dbraw/zinc/02/83/68/401028368.db2.gz XRVJGOHIUITLBI-OALUTQOASA-N 0 3 324.424 3.347 20 30 DGEDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000599349523 401029874 /nfs/dbraw/zinc/02/98/74/401029874.db2.gz IZVWHNANXIEFLU-HOCLYGCPSA-N 0 3 302.418 3.179 20 30 DGEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F ZINC000599349556 401030213 /nfs/dbraw/zinc/03/02/13/401030213.db2.gz JRAIRVYIZOSIDC-TZMCWYRMSA-N 0 3 324.371 3.383 20 30 DGEDHN CCC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599352378 401031126 /nfs/dbraw/zinc/03/11/26/401031126.db2.gz CKOFOKJOCGMFQM-CZUORRHYSA-N 0 3 308.372 3.450 20 30 DGEDHN Cc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1C#N ZINC000599354521 401032062 /nfs/dbraw/zinc/03/20/62/401032062.db2.gz PVKAWJILKXTJFC-JLCFBVMHSA-N 0 3 312.438 3.455 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](C)Cn2ccnc2)ccc1OC ZINC000057962664 401040271 /nfs/dbraw/zinc/04/02/71/401040271.db2.gz HLAVEFACZKXCOO-HNNXBMFYSA-N 0 3 315.417 3.025 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@@H]2CCC[C@H]21 ZINC000599655186 401104805 /nfs/dbraw/zinc/10/48/05/401104805.db2.gz OOGVQKFLUKVMMA-RCCFBDPRSA-N 0 3 312.413 3.030 20 30 DGEDHN N#CCCN(C(=O)CN1CCCC2(CC2)CC1)c1ccccc1 ZINC000599672417 401107989 /nfs/dbraw/zinc/10/79/89/401107989.db2.gz CWMGJYUFYLQPFW-UHFFFAOYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCCN(C)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625363936 401110948 /nfs/dbraw/zinc/11/09/48/401110948.db2.gz BGEORGSVXIGVBE-AWEZNQCLSA-N 0 3 323.234 3.210 20 30 DGEDHN CN(CCN1CCc2c(CC#N)cccc2C1)Cc1ccccc1 ZINC000599678972 401112856 /nfs/dbraw/zinc/11/28/56/401112856.db2.gz USSQPWNUFCQMOV-UHFFFAOYSA-N 0 3 319.452 3.243 20 30 DGEDHN COC(=O)C1C[C@@H](C)N(Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599690958 401118446 /nfs/dbraw/zinc/11/84/46/401118446.db2.gz NAJQPAMMDYZVQO-ZIAGYGMSSA-N 0 3 300.402 3.029 20 30 DGEDHN COC(=O)C1C[C@@H](C)N(Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000599694950 401120056 /nfs/dbraw/zinc/12/00/56/401120056.db2.gz JDOZAAMSGRQOMU-ZIAGYGMSSA-N 0 3 300.402 3.029 20 30 DGEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)c(C#N)cc1[N+](=O)[O-] ZINC000594596980 401121972 /nfs/dbraw/zinc/12/19/72/401121972.db2.gz BRPFSFRQSHYBOO-HOCLYGCPSA-N 0 3 314.389 3.204 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(C#N)cs1 ZINC000084186503 401132050 /nfs/dbraw/zinc/13/20/50/401132050.db2.gz WTVLMSOJACGEDC-AWEZNQCLSA-N 0 3 305.447 3.004 20 30 DGEDHN Cc1cccc([C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599627427 401095335 /nfs/dbraw/zinc/09/53/35/401095335.db2.gz MKHSFZVBCWXTKQ-RTBURBONSA-N 0 3 315.461 3.336 20 30 DGEDHN Cc1cccc([C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C(C)C)c1 ZINC000599628663 401095422 /nfs/dbraw/zinc/09/54/22/401095422.db2.gz CVCYIUYUESCQMY-NVXWUHKLSA-N 0 3 313.445 3.233 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640191 401100135 /nfs/dbraw/zinc/10/01/35/401100135.db2.gz GNQADFIGTDIAPK-MJGOQNOKSA-N 0 3 315.461 3.399 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](COC)C(C)C)ccc1OC ZINC000608060827 401178875 /nfs/dbraw/zinc/17/88/75/401178875.db2.gz LTELPJDIPSBASB-MRXNPFEDSA-N 0 3 307.434 3.411 20 30 DGEDHN COc1cc2c(c(CNCCc3ccc(C#N)cc3)c1)O[C@H](C)C2 ZINC000594955401 401204985 /nfs/dbraw/zinc/20/49/85/401204985.db2.gz NYYHAIDGKZGPRO-CQSZACIVSA-N 0 3 322.408 3.223 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063650996 401207047 /nfs/dbraw/zinc/20/70/47/401207047.db2.gz YWLLYQJUYYTNRJ-AWEZNQCLSA-N 0 3 315.335 3.119 20 30 DGEDHN C=CCCSCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000594960221 401208874 /nfs/dbraw/zinc/20/88/74/401208874.db2.gz NLMZDRHKWXZYRP-UHFFFAOYSA-N 0 3 319.449 3.469 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1 ZINC000063750794 401213977 /nfs/dbraw/zinc/21/39/77/401213977.db2.gz MUHADGRWMPGGHF-IBGZPJMESA-N 0 3 324.424 3.209 20 30 DGEDHN Cc1ccc([C@@H](C)CN2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000600111337 401182429 /nfs/dbraw/zinc/18/24/29/401182429.db2.gz GQGFVRWNKDCOLR-KRWDZBQOSA-N 0 3 320.440 3.187 20 30 DGEDHN CCCn1nccc1CNCCSCc1ccccc1C#N ZINC000594916416 401188355 /nfs/dbraw/zinc/18/83/55/401188355.db2.gz FAVLNSATUQDYRO-UHFFFAOYSA-N 0 3 314.458 3.188 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccncc1 ZINC000600391247 401244707 /nfs/dbraw/zinc/24/47/07/401244707.db2.gz QOZVEEOVERHZMC-YJBOKZPZSA-N 0 3 307.397 3.074 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2CC)CC1 ZINC000630941682 401357513 /nfs/dbraw/zinc/35/75/13/401357513.db2.gz DJPUHXKLAABUGP-UHFFFAOYSA-N 0 3 304.409 3.158 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CC1 ZINC000630941767 401357753 /nfs/dbraw/zinc/35/77/53/401357753.db2.gz DZDZXHUTRLFHFF-QGZVFWFLSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@]2(C)CCOC2)cc1OC ZINC000623474370 401526223 /nfs/dbraw/zinc/52/62/23/401526223.db2.gz ZWGHVJNORSPCNA-MRXNPFEDSA-N 0 3 311.809 3.182 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)C[C@@H](C)O)cc1OC ZINC000623488737 401530085 /nfs/dbraw/zinc/53/00/85/401530085.db2.gz BJEQICZPLNBLQQ-NWDGAFQWSA-N 0 3 313.825 3.162 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1cc(C#N)ccc1OC)C(C)C ZINC000186723272 165056875 /nfs/dbraw/zinc/05/68/75/165056875.db2.gz RUVSZFVPGIVEPT-GOSISDBHSA-N 0 3 318.417 3.024 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1cc(C#N)cs1 ZINC000187994014 165109604 /nfs/dbraw/zinc/10/96/04/165109604.db2.gz BBPOHAIYYSMFRR-INIZCTEOSA-N 0 3 300.427 3.309 20 30 DGEDHN COc1ccc2cc(CNCc3cc(C#N)n(C)c3)ccc2c1 ZINC000190714215 165212591 /nfs/dbraw/zinc/21/25/91/165212591.db2.gz DFOUIOMTENMFJX-UHFFFAOYSA-N 0 3 305.381 3.348 20 30 DGEDHN N#Cc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1F ZINC000192059033 165281598 /nfs/dbraw/zinc/28/15/98/165281598.db2.gz KJZIEWCJUWLECD-LJQANCHMSA-N 0 3 310.372 3.179 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000171680423 432160313 /nfs/dbraw/zinc/16/03/13/432160313.db2.gz CQPGNJDHBYLIQS-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC000171716530 432164931 /nfs/dbraw/zinc/16/49/31/432164931.db2.gz ABEMTXCFOBXIFE-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000171721413 432165486 /nfs/dbraw/zinc/16/54/86/432165486.db2.gz XVOWQSJIOUOVKI-BQYQJAHWSA-N 0 3 310.397 3.213 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2OCC)CC1 ZINC000171741674 432167269 /nfs/dbraw/zinc/16/72/69/432167269.db2.gz MODGPFFVAHTSCO-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246836971 432169730 /nfs/dbraw/zinc/16/97/30/432169730.db2.gz OMOPXDNLSQNXLH-HNAYVOBHSA-N 0 3 313.420 3.146 20 30 DGEDHN Cn1cc(CNCCSCc2ccccc2F)cc1C#N ZINC000190693747 432181709 /nfs/dbraw/zinc/18/17/09/432181709.db2.gz BAXKDBWGZUNRRN-UHFFFAOYSA-N 0 3 303.406 3.059 20 30 DGEDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000269621746 432189548 /nfs/dbraw/zinc/18/95/48/432189548.db2.gz NPZCIGDSIMNNAL-KBXCAEBGSA-N 0 3 311.429 3.142 20 30 DGEDHN CC(=O)Nc1cccc([C@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000182553939 432203040 /nfs/dbraw/zinc/20/30/40/432203040.db2.gz PVGKKJWMKOFWAL-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN CC(C)(C)C[C@@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000172269160 432205611 /nfs/dbraw/zinc/20/56/11/432205611.db2.gz KTAHSFOBVDEQHS-MRXNPFEDSA-N 0 3 304.434 3.256 20 30 DGEDHN Cc1ccc(NCc2ccc(C#N)s2)c(OCCN(C)C)c1 ZINC000133964036 196349794 /nfs/dbraw/zinc/34/97/94/196349794.db2.gz FSERVCGYCPVWRQ-UHFFFAOYSA-N 0 3 315.442 3.481 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152673561 227076547 /nfs/dbraw/zinc/07/65/47/227076547.db2.gz PQTBSHVAPZNLDP-CBYDULDESA-N 0 3 317.477 3.038 20 30 DGEDHN C[C@H](c1ccncc1)N1CCC(/N=C/c2ccccc2O)CC1 ZINC000158272811 228236526 /nfs/dbraw/zinc/23/65/26/228236526.db2.gz MZHGONKIAZLXNS-HFITWMCCSA-N 0 3 309.413 3.432 20 30 DGEDHN N#CC(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccccn1 ZINC000176526360 228314236 /nfs/dbraw/zinc/31/42/36/228314236.db2.gz AAMOWNZXDKTRQH-INIZCTEOSA-N 0 3 315.332 3.131 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000178576701 228343925 /nfs/dbraw/zinc/34/39/25/228343925.db2.gz AKYKSEZEDHENOZ-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c(Cl)c1 ZINC000331202361 229022381 /nfs/dbraw/zinc/02/23/81/229022381.db2.gz NREHMWPZABMRLI-CQSZACIVSA-N 0 3 324.852 3.046 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000341201739 229095277 /nfs/dbraw/zinc/09/52/77/229095277.db2.gz MKNVLRSLWNFEHH-BBRMVZONSA-N 0 3 314.433 3.092 20 30 DGEDHN COc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1OCCCC#N ZINC000342233308 229109845 /nfs/dbraw/zinc/10/98/45/229109845.db2.gz SHDZOLBKCUXTIU-OLZOCXBDSA-N 0 3 310.344 3.121 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc4c[nH+]cn4c3)nc21 ZINC000342347238 229110828 /nfs/dbraw/zinc/11/08/28/229110828.db2.gz OBXUTDDQWZAFLN-CQSZACIVSA-N 0 3 315.336 3.009 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCCC[C@H]1C ZINC000337382619 229047862 /nfs/dbraw/zinc/04/78/62/229047862.db2.gz VLBVODRIPOAJMM-HUUCEWRRSA-N 0 3 314.433 3.137 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc3ncccc3c2)nc(C)n1 ZINC000340186516 229086740 /nfs/dbraw/zinc/08/67/40/229086740.db2.gz RZJZPPQKYGFNRH-HNNXBMFYSA-N 0 3 302.337 3.132 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000345754217 229156219 /nfs/dbraw/zinc/15/62/19/229156219.db2.gz DEWLZUNVRCYNRJ-NSHDSACASA-N 0 3 321.218 3.147 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000345996300 229162389 /nfs/dbraw/zinc/16/23/89/229162389.db2.gz SCMPSKMWRFDWKS-NSHDSACASA-N 0 3 303.724 3.376 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000349793195 229217057 /nfs/dbraw/zinc/21/70/57/229217057.db2.gz UVKHBXDNEMXLLY-QMTHXVAHSA-N 0 3 321.218 3.166 20 30 DGEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349802275 229217630 /nfs/dbraw/zinc/21/76/30/229217630.db2.gz NGKXQOAAECBJMC-QZTJIDSGSA-N 0 3 308.429 3.330 20 30 DGEDHN N#CC(C(=O)c1cccc(OC2CCCC2)c1)c1ccncn1 ZINC000354474761 229296359 /nfs/dbraw/zinc/29/63/59/229296359.db2.gz ZGKDLEMKTUCUDA-MRXNPFEDSA-N 0 3 307.353 3.288 20 30 DGEDHN N#CCCC[C@@H](NCc1c[nH]c2nccnc12)c1ccccc1 ZINC000353917199 229285452 /nfs/dbraw/zinc/28/54/52/229285452.db2.gz SXTFEPUQAFHYMT-MRXNPFEDSA-N 0 3 305.385 3.434 20 30 DGEDHN COCC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000356750493 229341044 /nfs/dbraw/zinc/34/10/44/229341044.db2.gz ZISUTDINTAXXIW-ZANVPECISA-N 0 3 315.200 3.347 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000357805339 229354171 /nfs/dbraw/zinc/35/41/71/229354171.db2.gz APBJAOGCNVQWTO-HNNXBMFYSA-N 0 3 319.408 3.025 20 30 DGEDHN Cn1cccc1[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000358000511 229355705 /nfs/dbraw/zinc/35/57/05/229355705.db2.gz BPPHHNBZHRZIBB-IEBWSBKVSA-N 0 3 321.424 3.461 20 30 DGEDHN CC(C#N)C(=O)N1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000359435674 229378439 /nfs/dbraw/zinc/37/84/39/229378439.db2.gz LQNZGXKNWHBRSK-GFCCVEGCSA-N 0 3 313.426 3.336 20 30 DGEDHN CN(C)[C@H](CNc1nc2ccccn2c1C#N)c1cccc(F)c1 ZINC000302117765 230102656 /nfs/dbraw/zinc/10/26/56/230102656.db2.gz WSPHOQUPPQCMJI-MRXNPFEDSA-N 0 3 323.375 3.060 20 30 DGEDHN CCC[C@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000346275429 264000790 /nfs/dbraw/zinc/00/07/90/264000790.db2.gz KAPSBJRHFYGZMI-INIZCTEOSA-N 0 3 315.461 3.275 20 30 DGEDHN C[C@H]1CN(c2ccc(C#N)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000346651648 264073411 /nfs/dbraw/zinc/07/34/11/264073411.db2.gz HRDATEYIYZGSLP-HOTGVXAUSA-N 0 3 306.413 3.052 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000347262952 264185631 /nfs/dbraw/zinc/18/56/31/264185631.db2.gz PKZKJVTZSYZACW-SJLPKXTDSA-N 0 3 302.418 3.202 20 30 DGEDHN COC(=O)CC1(NCc2cc(C#N)ccc2F)CCCCC1 ZINC000533527497 270004919 /nfs/dbraw/zinc/00/49/19/270004919.db2.gz RNWGXEMTBGEDPT-UHFFFAOYSA-N 0 3 304.365 3.053 20 30 DGEDHN COC(=O)c1cccc(CN2CCC[C@@H]2C2CCCC2)c1C#N ZINC000534487931 270005187 /nfs/dbraw/zinc/00/51/87/270005187.db2.gz WGGNCVVHJJXVGJ-GOSISDBHSA-N 0 3 312.413 3.499 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)CC ZINC000151202818 432228820 /nfs/dbraw/zinc/22/88/20/432228820.db2.gz GBGNQPGJJSEMJY-CQSZACIVSA-N 0 3 308.495 3.383 20 30 DGEDHN COc1ccc(COCCN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353265599 265368901 /nfs/dbraw/zinc/36/89/01/265368901.db2.gz YXIUEADNIOCTGT-FQEVSTJZSA-N 0 3 322.408 3.361 20 30 DGEDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(C#N)cs1)c1ccco1 ZINC000359539349 266361987 /nfs/dbraw/zinc/36/19/87/266361987.db2.gz OSQJOZRGCVNMEB-DGCLKSJQSA-N 0 3 317.414 3.072 20 30 DGEDHN CC[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978150 266417826 /nfs/dbraw/zinc/41/78/26/266417826.db2.gz NAEKYWGEDPOGAZ-MAUKXSAKSA-N 0 3 311.429 3.176 20 30 DGEDHN C=CCC[C@H](O)CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247457050 432232438 /nfs/dbraw/zinc/23/24/38/432232438.db2.gz PIUDZZHSZYGKTO-WBVHZDCISA-N 0 3 305.393 3.048 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1cc2c(nn1)CCC2)C(C)C ZINC000621742741 425113765 /nfs/dbraw/zinc/11/37/65/425113765.db2.gz PHERNDQWEDLPHB-QGZVFWFLSA-N 0 3 300.450 3.076 20 30 DGEDHN C[C@H]1C[C@H](NCc2cc(C#N)cs2)CN1Cc1ccccc1 ZINC000151309533 432236781 /nfs/dbraw/zinc/23/67/81/432236781.db2.gz JTYJXMOULRPOHR-YOEHRIQHSA-N 0 3 311.454 3.372 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131745864 267001167 /nfs/dbraw/zinc/00/11/67/267001167.db2.gz MMLBMIRLXNGQNY-DOTOQJQBSA-N 0 3 314.429 3.137 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000352771047 267023428 /nfs/dbraw/zinc/02/34/28/267023428.db2.gz WGHCCUQNKLATTF-RVKKMQEKSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000358885835 267029254 /nfs/dbraw/zinc/02/92/54/267029254.db2.gz VEZLSUQVJAZZNT-GUTXKFCHSA-N 0 3 318.852 3.448 20 30 DGEDHN C[C@@](O)(CN[C@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000360655228 267115122 /nfs/dbraw/zinc/11/51/22/267115122.db2.gz CKGWNLGOYPHMBE-LSDHHAIUSA-N 0 3 312.335 3.229 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000354115128 267179974 /nfs/dbraw/zinc/17/99/74/267179974.db2.gz BHUSUECUUTYYEB-HNNXBMFYSA-N 0 3 321.424 3.417 20 30 DGEDHN CC[C@H](CN1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000506635235 267210790 /nfs/dbraw/zinc/21/07/90/267210790.db2.gz WHOUTDCDHIXJIJ-GOSISDBHSA-N 0 3 320.440 3.269 20 30 DGEDHN C[C@](O)(CN[C@@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000360655225 267256941 /nfs/dbraw/zinc/25/69/41/267256941.db2.gz CKGWNLGOYPHMBE-CABCVRRESA-N 0 3 312.335 3.229 20 30 DGEDHN CN(C)[C@H](CNc1ncc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000514598602 267288810 /nfs/dbraw/zinc/28/88/10/267288810.db2.gz WCQJINCCXBPUDX-KRWDZBQOSA-N 0 3 320.440 3.027 20 30 DGEDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C#N)cn1 ZINC000399609362 267301297 /nfs/dbraw/zinc/30/12/97/267301297.db2.gz XRMNCQLBUWUHDO-APWZRJJASA-N 0 3 320.440 3.149 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCCN2Cc2ccccc2)cc1F ZINC000404089644 268073798 /nfs/dbraw/zinc/07/37/98/268073798.db2.gz SWDSOBYOHWLJHB-IBGZPJMESA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2OC(F)F)c(Cl)c1 ZINC000348522386 268076586 /nfs/dbraw/zinc/07/65/86/268076586.db2.gz XCYFBRALQMJGDO-STQMWFEESA-N 0 3 300.736 3.462 20 30 DGEDHN N#Cc1ccnc(N2CCN(CCCCc3ccccc3)CC2)c1 ZINC000359841041 268293968 /nfs/dbraw/zinc/29/39/68/268293968.db2.gz DPOYPVIBDOMBFE-UHFFFAOYSA-N 0 3 320.440 3.098 20 30 DGEDHN N#Cc1ccnc(NC2CCN(CCc3ccccc3)CC2)c1 ZINC000367722881 268296701 /nfs/dbraw/zinc/29/67/01/268296701.db2.gz WRTBLKJEHKSXDD-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2ccccc2F)c1 ZINC000151491889 432250146 /nfs/dbraw/zinc/25/01/46/432250146.db2.gz SRUVLUQNORFCDV-UHFFFAOYSA-N 0 3 306.344 3.377 20 30 DGEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1cccs1 ZINC000298690787 273815125 /nfs/dbraw/zinc/81/51/25/273815125.db2.gz BGAMOVYXFTVRFS-OAHLLOKOSA-N 0 3 312.442 3.218 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1c(C#N)cccc1C#N ZINC000302887068 274213281 /nfs/dbraw/zinc/21/32/81/274213281.db2.gz NNWGNTLCLXOFTP-HNNXBMFYSA-N 0 3 304.397 3.362 20 30 DGEDHN C[C@@H](CN1CCCCC1)Nc1nc2cc(Cl)ccn2c1C#N ZINC000341556429 274217908 /nfs/dbraw/zinc/21/79/08/274217908.db2.gz ZGPXNUUWEBWYLE-LBPRGKRZSA-N 0 3 317.824 3.146 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)c(C#N)c1C ZINC000184642941 274877406 /nfs/dbraw/zinc/87/74/06/274877406.db2.gz PWRLUMGIPMLXKW-NEPJUHHUSA-N 0 3 303.406 3.263 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349803150 274916912 /nfs/dbraw/zinc/91/69/12/274916912.db2.gz PQMLDPQQHFUEBA-DGCLKSJQSA-N 0 3 306.793 3.283 20 30 DGEDHN OC[C@@H]([C@H](NCC#Cc1cccc(Cl)c1)C1CC1)C1CC1 ZINC000451613360 275048359 /nfs/dbraw/zinc/04/83/59/275048359.db2.gz QOBFXESIXYLKLE-QZTJIDSGSA-N 0 3 303.833 3.078 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Cl)cn1)C(C)C ZINC000346115012 275425467 /nfs/dbraw/zinc/42/54/67/275425467.db2.gz BJBIBTGFPZEPGJ-MRXNPFEDSA-N 0 3 321.852 3.163 20 30 DGEDHN C=C[C@H](CO)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000289835111 275438381 /nfs/dbraw/zinc/43/83/81/275438381.db2.gz POUPUMLPESNDBK-KGLIPLIRSA-N 0 3 318.417 3.463 20 30 DGEDHN Cc1cc(CNCCN2CCc3sccc3C2)ccc1C#N ZINC000443980785 533689641 /nfs/dbraw/zinc/68/96/41/533689641.db2.gz NSWKTBKMUDZQPI-UHFFFAOYSA-N 0 3 311.454 3.076 20 30 DGEDHN CC[C@H](CN(CC)C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424175428 287845453 /nfs/dbraw/zinc/84/54/53/287845453.db2.gz QEQYXWMUCBWGFW-NVXWUHKLSA-N 0 3 301.434 3.050 20 30 DGEDHN CC1(C#N)CCC(N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)CC1 ZINC000333910105 275804805 /nfs/dbraw/zinc/80/48/05/275804805.db2.gz WUOBNZNEWQSOBX-QHZIWVDMSA-N 0 3 320.458 3.383 20 30 DGEDHN N#Cc1nc(NC[C@H]2CCN2C2CCCC2)ccc1C(F)(F)F ZINC000528212239 429861792 /nfs/dbraw/zinc/86/17/92/429861792.db2.gz SATUUQDTILTSBJ-GFCCVEGCSA-N 0 3 324.350 3.401 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000623951721 429928669 /nfs/dbraw/zinc/92/86/69/429928669.db2.gz YFPUZLCHANDAIK-UHFFFAOYSA-N 0 3 316.380 3.328 20 30 DGEDHN CN1CCN(CC#Cc2ccc(F)cc2)C2(CCCCC2)C1 ZINC000154612580 277103991 /nfs/dbraw/zinc/10/39/91/277103991.db2.gz NGWRDHNAMLKRTA-UHFFFAOYSA-N 0 3 300.421 3.128 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683691 277120676 /nfs/dbraw/zinc/12/06/76/277120676.db2.gz BBCVBYHJPSPLHW-CHWSQXEVSA-N 0 3 306.372 3.199 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CC[C@@H](C#N)C3)CC[C@H]21 ZINC000495730379 277191645 /nfs/dbraw/zinc/19/16/45/277191645.db2.gz QBUTUGWXWSTLIP-KLHDSHLOSA-N 0 3 319.449 3.010 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CC[C@H](C#N)C3)CC[C@H]21 ZINC000495730380 277191686 /nfs/dbraw/zinc/19/16/86/277191686.db2.gz QBUTUGWXWSTLIP-ZJIFWQFVSA-N 0 3 319.449 3.010 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(CCC2)C1)C(C)C ZINC000468036368 277850515 /nfs/dbraw/zinc/85/05/15/277850515.db2.gz DFEZFSDKELZMKM-QGZVFWFLSA-N 0 3 319.493 3.271 20 30 DGEDHN CC1(C)CCC[C@]1(O)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329481030 278248990 /nfs/dbraw/zinc/24/89/90/278248990.db2.gz DGHJHMDGMBVQQG-QAPCUYQASA-N 0 3 308.466 3.291 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707274 431139401 /nfs/dbraw/zinc/13/94/01/431139401.db2.gz XOSAXZJNQPKQJO-CQSZACIVSA-N 0 3 321.380 3.366 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCCC[C@@H]1C ZINC000338357652 279339517 /nfs/dbraw/zinc/33/95/17/279339517.db2.gz ROZJDSGTADGUHY-QWHCGFSZSA-N 0 3 318.396 3.082 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000495851736 279340144 /nfs/dbraw/zinc/34/01/44/279340144.db2.gz SLJDQFAWVSPABE-WBMJQRKESA-N 0 3 315.417 3.048 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000069615593 431201863 /nfs/dbraw/zinc/20/18/63/431201863.db2.gz WCOSGOFJGORVNR-GOSISDBHSA-N 0 3 322.412 3.291 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000111257814 431204215 /nfs/dbraw/zinc/20/42/15/431204215.db2.gz GWWWNXTVRKYSGC-KGLIPLIRSA-N 0 3 304.409 3.289 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000193070620 279488080 /nfs/dbraw/zinc/48/80/80/279488080.db2.gz IXJQOESQKFWJHQ-OUENDJJVSA-N 0 3 306.356 3.467 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC1CCC1 ZINC000111298657 431209620 /nfs/dbraw/zinc/20/96/20/431209620.db2.gz UFVCGKCGBWANII-CQSZACIVSA-N 0 3 306.475 3.383 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2ccc(Cl)nc2)cc1 ZINC000069753555 431219173 /nfs/dbraw/zinc/21/91/73/431219173.db2.gz QZHBCFOKKNKRQU-UHFFFAOYSA-N 0 3 314.820 3.375 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000111644927 431229910 /nfs/dbraw/zinc/22/99/10/431229910.db2.gz BCMGXNNTHOIRQT-OAGGEKHMSA-N 0 3 316.445 3.129 20 30 DGEDHN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)NC1CC1 ZINC000329724116 279528575 /nfs/dbraw/zinc/52/85/75/279528575.db2.gz BMCAOPLHLYTWBZ-SUMWQHHRSA-N 0 3 314.429 3.178 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC1CC1 ZINC000070014671 431237202 /nfs/dbraw/zinc/23/72/02/431237202.db2.gz WNFIZSOAGZUZTA-UHFFFAOYSA-N 0 3 313.445 3.282 20 30 DGEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000112699057 431299153 /nfs/dbraw/zinc/29/91/53/431299153.db2.gz XWEVBKCTOCFYAH-OALUTQOASA-N 0 3 313.445 3.124 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1sccc1C#N)C(C)C ZINC000112919813 431315145 /nfs/dbraw/zinc/31/51/45/431315145.db2.gz MXCZQIIVWBUICP-HNNXBMFYSA-N 0 3 317.458 3.048 20 30 DGEDHN N#Cc1cccc(CN(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000114193534 431374781 /nfs/dbraw/zinc/37/47/81/431374781.db2.gz GHLNXTPIMKFJGU-HXUWFJFHSA-N 0 3 306.409 3.430 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000115596774 431464370 /nfs/dbraw/zinc/46/43/70/431464370.db2.gz LTHXSKMQFPQKLA-KXBFYZLASA-N 0 3 319.408 3.404 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCS[C@H](C(C)C)C1 ZINC000076065334 431520414 /nfs/dbraw/zinc/52/04/14/431520414.db2.gz RWJJUCQDHZFMGI-KRWDZBQOSA-N 0 3 320.458 3.019 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000117026043 431546717 /nfs/dbraw/zinc/54/67/17/431546717.db2.gz ACNUPQBUFYQZJQ-UONOGXRCSA-N 0 3 307.463 3.149 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N(CC)CC ZINC000274080552 280080877 /nfs/dbraw/zinc/08/08/77/280080877.db2.gz QPXJBQHCWGDNCP-IRXDYDNUSA-N 0 3 301.434 3.268 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000129941086 280102820 /nfs/dbraw/zinc/10/28/20/280102820.db2.gz YEMSTVJYEAXSFM-NVXWUHKLSA-N 0 3 305.466 3.086 20 30 DGEDHN Cc1c(Cl)cnc(N2CCC[C@@H]2CN2CCCCC2)c1C#N ZINC000489893609 280233632 /nfs/dbraw/zinc/23/36/32/280233632.db2.gz CBSTZVIDIAOYHW-CQSZACIVSA-N 0 3 318.852 3.370 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CSc3ccccc32)CC1 ZINC000118334491 431600408 /nfs/dbraw/zinc/60/04/08/431600408.db2.gz BJTDDAIOGNYNNF-MRXNPFEDSA-N 0 3 316.470 3.033 20 30 DGEDHN CCOC(=O)CC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118392604 431603172 /nfs/dbraw/zinc/60/31/72/431603172.db2.gz DGDZEPHWJQXGDA-CQSZACIVSA-N 0 3 300.402 3.284 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000118811368 431620001 /nfs/dbraw/zinc/62/00/01/431620001.db2.gz AKFQXRXZGOJQRH-OAHLLOKOSA-N 0 3 317.433 3.057 20 30 DGEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000078539121 431680249 /nfs/dbraw/zinc/68/02/49/431680249.db2.gz YFADQVPZDMTXII-FUHWJXTLSA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCN(C)C ZINC000078579930 431686104 /nfs/dbraw/zinc/68/61/04/431686104.db2.gz WPKYDRZWUIMAQA-ZDUSSCGKSA-N 0 3 320.462 3.106 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC[C@H]1CCCO1)c1ccccn1 ZINC000078732644 431703075 /nfs/dbraw/zinc/70/30/75/431703075.db2.gz WDBWXWQGKLPTIN-ZBFHGGJFSA-N 0 3 322.364 3.129 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000121254519 431761594 /nfs/dbraw/zinc/76/15/94/431761594.db2.gz XILNUEILZPWEKG-AWEZNQCLSA-N 0 3 310.397 3.335 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000119972502 431720059 /nfs/dbraw/zinc/72/00/59/431720059.db2.gz JVZICDKGRZAAFW-IEBWSBKVSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000121478606 431793005 /nfs/dbraw/zinc/79/30/05/431793005.db2.gz QVDFKWPVIDQKBP-GOSISDBHSA-N 0 3 300.446 3.044 20 30 DGEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(C#N)cs2)C1 ZINC000084188684 431818264 /nfs/dbraw/zinc/81/82/64/431818264.db2.gz CLQMXWQEHXWUQT-ZDUSSCGKSA-N 0 3 319.474 3.250 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000083231843 431808915 /nfs/dbraw/zinc/80/89/15/431808915.db2.gz IIIXFRLDJRZKDY-CVEARBPZSA-N 0 3 315.461 3.128 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1cccc(C#N)c1 ZINC000121305878 431770019 /nfs/dbraw/zinc/77/00/19/431770019.db2.gz BJNMSODPKAOTAC-UHFFFAOYSA-N 0 3 320.440 3.231 20 30 DGEDHN CCOc1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122694600 431841509 /nfs/dbraw/zinc/84/15/09/431841509.db2.gz NQATZSZUUSFOCC-AWEZNQCLSA-N 0 3 319.364 3.462 20 30 DGEDHN N#Cc1ccc(CNCCOc2ncccc2C(F)(F)F)cc1 ZINC000122867557 431847279 /nfs/dbraw/zinc/84/72/79/431847279.db2.gz VDYREPJQONLSJT-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN CN(CCCCC#N)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122382597 431829457 /nfs/dbraw/zinc/82/94/57/431829457.db2.gz JNAJQVJQRHBORL-UHFFFAOYSA-N 0 3 312.316 3.142 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(N2CCOCC2)c1 ZINC000361431990 280829621 /nfs/dbraw/zinc/82/96/21/280829621.db2.gz HZJZSLSUTWIVBO-FUHWJXTLSA-N 0 3 313.445 3.004 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093066358 431913632 /nfs/dbraw/zinc/91/36/32/431913632.db2.gz CLHQMRKEGCSMDE-UHFFFAOYSA-N 0 3 313.445 3.183 20 30 DGEDHN CN(CC(C)(C)CCC#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385666 431914445 /nfs/dbraw/zinc/91/44/45/431914445.db2.gz ZQARCCGZGOPTKA-INIZCTEOSA-N 0 3 317.408 3.193 20 30 DGEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1OC(F)F ZINC000047798193 431915301 /nfs/dbraw/zinc/91/53/01/431915301.db2.gz LUWWVDVBNJXBBB-UHFFFAOYSA-N 0 3 318.323 3.458 20 30 DGEDHN CN(CC(C)(C)CCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000093512577 431915325 /nfs/dbraw/zinc/91/53/25/431915325.db2.gz KCIBRPKNMJSGQG-QGZVFWFLSA-N 0 3 313.445 3.444 20 30 DGEDHN CSCCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093509415 431916368 /nfs/dbraw/zinc/91/63/68/431916368.db2.gz NGCANFXJBGPGTF-UHFFFAOYSA-N 0 3 314.458 3.259 20 30 DGEDHN CC[C@H](O)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000124235051 431886978 /nfs/dbraw/zinc/88/69/78/431886978.db2.gz IVDIXJAZIBWYBS-IBGZPJMESA-N 0 3 324.424 3.388 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000090201555 431889901 /nfs/dbraw/zinc/88/99/01/431889901.db2.gz OHHSYOCBBKGFKO-INIZCTEOSA-N 0 3 315.417 3.047 20 30 DGEDHN CCN(CC)C(=O)C[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000090664499 431894142 /nfs/dbraw/zinc/89/41/42/431894142.db2.gz OWFBPOCSEVPAQS-DOTOQJQBSA-N 0 3 301.434 3.268 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000092048343 431907461 /nfs/dbraw/zinc/90/74/61/431907461.db2.gz JXFGWKNXXSQBRV-UHFFFAOYSA-N 0 3 316.405 3.047 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000052103974 431954565 /nfs/dbraw/zinc/95/45/65/431954565.db2.gz JVLMIWBPDRRMRZ-JTTJXQCZSA-N 0 3 305.466 3.084 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)c(N2CCN(CC3CC3)CC2)c1 ZINC000127799629 431981451 /nfs/dbraw/zinc/98/14/51/431981451.db2.gz DXEJJRSETWHWHP-UHFFFAOYSA-N 0 3 309.335 3.109 20 30 DGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1(C#N)CCCC1)N(C)C ZINC000362128819 281359184 /nfs/dbraw/zinc/35/91/84/281359184.db2.gz IOBIJIBBHUQTLK-NVXWUHKLSA-N 0 3 313.445 3.186 20 30 DGEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)cc1F ZINC000270651778 432271975 /nfs/dbraw/zinc/27/19/75/432271975.db2.gz MCJDVLRIJJORRZ-XHDPSFHLSA-N 0 3 304.390 3.361 20 30 DGEDHN N#CC(CCN1CC[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000191506872 432272353 /nfs/dbraw/zinc/27/23/53/432272353.db2.gz ZAVOUVRIMUGQAG-SFHVURJKSA-N 0 3 320.436 3.201 20 30 DGEDHN C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000183290841 432279805 /nfs/dbraw/zinc/27/98/05/432279805.db2.gz VDRHTFXJHPYJMA-BBRMVZONSA-N 0 3 315.417 3.218 20 30 DGEDHN CCOC(=O)[C@@](C)(CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000191633679 432285918 /nfs/dbraw/zinc/28/59/18/432285918.db2.gz ZSCMDUYOXDTHPL-FQEVSTJZSA-N 0 3 322.408 3.169 20 30 DGEDHN N#CCCCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401434 431994241 /nfs/dbraw/zinc/99/42/41/431994241.db2.gz VLGSMLHPAWYOEI-CQSZACIVSA-N 0 3 314.364 3.359 20 30 DGEDHN Cc1ncccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183158808 432263865 /nfs/dbraw/zinc/26/38/65/432263865.db2.gz HZGPXMCTBZAQIS-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191951743 432318060 /nfs/dbraw/zinc/31/80/60/432318060.db2.gz IXHLFFVRTQMFIM-MJGOQNOKSA-N 0 3 308.381 3.187 20 30 DGEDHN C[C@@H](CN(C)CCOc1ccc(C#N)cc1)c1nccs1 ZINC000183918556 432334660 /nfs/dbraw/zinc/33/46/60/432334660.db2.gz OHCRIPPHGOKKKQ-ZDUSSCGKSA-N 0 3 301.415 3.129 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000249406509 432347164 /nfs/dbraw/zinc/34/71/64/432347164.db2.gz UNYPPRKTTNWVDX-ABAIWWIYSA-N 0 3 303.406 3.217 20 30 DGEDHN CC[C@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCCO1 ZINC000191825225 432306963 /nfs/dbraw/zinc/30/69/63/432306963.db2.gz PPUHXBQEFFKKEM-GJZGRUSLSA-N 0 3 323.234 3.368 20 30 DGEDHN CC[C@@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCCO1 ZINC000191825237 432307073 /nfs/dbraw/zinc/30/70/73/432307073.db2.gz PPUHXBQEFFKKEM-CABCVRRESA-N 0 3 323.234 3.368 20 30 DGEDHN C[C@H](NCCNC(=O)CC1CCCCC1)c1ccc(C#N)cc1 ZINC000174032189 432315475 /nfs/dbraw/zinc/31/54/75/432315475.db2.gz XUSJVHCJNSPWCF-HNNXBMFYSA-N 0 3 313.445 3.295 20 30 DGEDHN N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000192501535 432382152 /nfs/dbraw/zinc/38/21/52/432382152.db2.gz LJDYSJVRVZNAHE-INIZCTEOSA-N 0 3 311.410 3.299 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000192741173 432407384 /nfs/dbraw/zinc/40/73/84/432407384.db2.gz MOTHQVQRUGROFC-WCQYABFASA-N 0 3 306.793 3.283 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192338368 432362458 /nfs/dbraw/zinc/36/24/58/432362458.db2.gz QFYNSUUSHJBKGC-IEBWSBKVSA-N 0 3 312.457 3.301 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000192741192 432406958 /nfs/dbraw/zinc/40/69/58/432406958.db2.gz MOTHQVQRUGROFC-AAEUAGOBSA-N 0 3 306.793 3.283 20 30 DGEDHN CC[C@H]1Oc2cc([C@@H](C)NCCC(C)(C)C#N)ccc2NC1=O ZINC000272030747 432433243 /nfs/dbraw/zinc/43/32/43/432433243.db2.gz OYYUAOWTULKHDI-IUODEOHRSA-N 0 3 315.417 3.387 20 30 DGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(N2CCOC2=O)cc1 ZINC000272037823 432434882 /nfs/dbraw/zinc/43/48/82/432434882.db2.gz QMMMFBTXQCMMMN-ZDUSSCGKSA-N 0 3 301.390 3.234 20 30 DGEDHN C=C(C)COCCN[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000193022998 432440662 /nfs/dbraw/zinc/44/06/62/432440662.db2.gz PZLXZHWEQQPSSE-AWEZNQCLSA-N 0 3 321.417 3.324 20 30 DGEDHN CCN(CC(C)C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000153777658 432440918 /nfs/dbraw/zinc/44/09/18/432440918.db2.gz SEUFHCRPFZHZIM-INIZCTEOSA-N 0 3 301.434 3.300 20 30 DGEDHN N#Cc1ccc(CN(CCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000193046313 432441942 /nfs/dbraw/zinc/44/19/42/432441942.db2.gz FXVRMMVQCMGGGT-SFHVURJKSA-N 0 3 300.402 3.066 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000193070643 432445840 /nfs/dbraw/zinc/44/58/40/432445840.db2.gz IXJQOESQKFWJHQ-YCCRMZCTSA-N 0 3 306.356 3.467 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)c(C#N)c1C ZINC000184642908 432415805 /nfs/dbraw/zinc/41/58/05/432415805.db2.gz PWRLUMGIPMLXKW-RYUDHWBXSA-N 0 3 303.406 3.263 20 30 DGEDHN N#CCOc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000271790900 432424202 /nfs/dbraw/zinc/42/42/02/432424202.db2.gz NJLYHHZMABVGGG-LJQANCHMSA-N 0 3 310.397 3.192 20 30 DGEDHN Cc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1C ZINC000271776449 432424890 /nfs/dbraw/zinc/42/48/90/432424890.db2.gz OMSWDNXMEFZGGJ-MRXNPFEDSA-N 0 3 313.445 3.297 20 30 DGEDHN COc1cc(O)c(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271856759 432426568 /nfs/dbraw/zinc/42/65/68/432426568.db2.gz JVJPCVZFRULMSG-LBPRGKRZSA-N 0 3 312.369 3.132 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@]3(CCOC3)C2)cc1 ZINC000153645991 432427693 /nfs/dbraw/zinc/42/76/93/432427693.db2.gz XCDGLCGMOQJYNO-INIZCTEOSA-N 0 3 309.331 3.169 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CC[C@H](C(=O)OC)C2)cc1Cl ZINC000193500788 432477901 /nfs/dbraw/zinc/47/79/01/432477901.db2.gz QOXIKXUQFRGHJJ-UONOGXRCSA-N 0 3 323.820 3.336 20 30 DGEDHN CN(Cc1ccccc1)[C@@H](CNCc1ccc(C#N)o1)C1CC1 ZINC000185223088 432479249 /nfs/dbraw/zinc/47/92/49/432479249.db2.gz JQINEIIBLVRQKH-IBGZPJMESA-N 0 3 309.413 3.151 20 30 DGEDHN C=CCNC(=O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000185382010 432496705 /nfs/dbraw/zinc/49/67/05/432496705.db2.gz FBPAVXQDYYNLAM-GFCCVEGCSA-N 0 3 302.805 3.446 20 30 DGEDHN C=CCN(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000153977246 432460640 /nfs/dbraw/zinc/46/06/40/432460640.db2.gz HQICNRXMHZZVMO-GOSISDBHSA-N 0 3 315.461 3.287 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(OCC#N)cc1)c1nccs1 ZINC000273089226 432550450 /nfs/dbraw/zinc/55/04/50/432550450.db2.gz MKXPWRZHZYXTIW-CYBMUJFWSA-N 0 3 301.415 3.281 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000194541436 432560224 /nfs/dbraw/zinc/56/02/24/432560224.db2.gz BHBXNCAMITUPKH-RHSMWYFYSA-N 0 3 308.381 3.391 20 30 DGEDHN CCN(C(=O)CC1CCN(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000273193756 432563564 /nfs/dbraw/zinc/56/35/64/432563564.db2.gz IPDUPJONIIOYBB-OAHLLOKOSA-N 0 3 313.445 3.200 20 30 DGEDHN CC1(C#N)CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000272585501 432527795 /nfs/dbraw/zinc/52/77/95/432527795.db2.gz OSDVQOYVMMJKKO-QGZVFWFLSA-N 0 3 324.424 3.205 20 30 DGEDHN CC1(C#N)CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000272912964 432536111 /nfs/dbraw/zinc/53/61/11/432536111.db2.gz DEUYGXIZRMZOEL-UHFFFAOYSA-N 0 3 311.429 3.048 20 30 DGEDHN C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)C1=CCN(C)CC1 ZINC000273060179 432545145 /nfs/dbraw/zinc/54/51/45/432545145.db2.gz YHHPSZLJJKFCGF-JTQLQIEISA-N 0 3 310.323 3.034 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](OCC)[C@]23CCCO3)c1 ZINC000273595628 432616255 /nfs/dbraw/zinc/61/62/55/432616255.db2.gz KPIMTQDMILYJRT-QRVBRYPASA-N 0 3 317.429 3.068 20 30 DGEDHN C[C@@H](CCNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000176964298 432570596 /nfs/dbraw/zinc/57/05/96/432570596.db2.gz PQRYLBNBPFMNJE-NSHDSACASA-N 0 3 309.435 3.013 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000194872565 432582398 /nfs/dbraw/zinc/58/23/98/432582398.db2.gz NFMAZMGZZLJKFW-SFHVURJKSA-N 0 3 318.392 3.109 20 30 DGEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000273312412 432582860 /nfs/dbraw/zinc/58/28/60/432582860.db2.gz NVDUQSUAFMUJBR-PKOBYXMFSA-N 0 3 323.440 3.214 20 30 DGEDHN C=CCOc1cccc(CNC[C@@H](c2ccco2)N(C)C)c1 ZINC000194884909 432583930 /nfs/dbraw/zinc/58/39/30/432583930.db2.gz RZKLXVCRPAWFRF-KRWDZBQOSA-N 0 3 300.402 3.237 20 30 DGEDHN N#Cc1cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)ccc1F ZINC000156026059 432584989 /nfs/dbraw/zinc/58/49/89/432584989.db2.gz NGQQKGVAAMQTGF-HXUWFJFHSA-N 0 3 324.399 3.470 20 30 DGEDHN N#Cc1cc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)ccc1F ZINC000156025929 432585166 /nfs/dbraw/zinc/58/51/66/432585166.db2.gz NGQQKGVAAMQTGF-FQEVSTJZSA-N 0 3 324.399 3.470 20 30 DGEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)cc1OC ZINC000194935287 432587269 /nfs/dbraw/zinc/58/72/69/432587269.db2.gz ZYEUZMXMDNOXRF-SFHVURJKSA-N 0 3 302.418 3.348 20 30 DGEDHN C[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(C#N)c1 ZINC000177130015 432589523 /nfs/dbraw/zinc/58/95/23/432589523.db2.gz PIJFLIGWDZOEHA-OAHLLOKOSA-N 0 3 306.413 3.404 20 30 DGEDHN C[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(C#N)c1 ZINC000177129998 432589656 /nfs/dbraw/zinc/58/96/56/432589656.db2.gz PIJFLIGWDZOEHA-HNNXBMFYSA-N 0 3 306.413 3.404 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186432264 432594560 /nfs/dbraw/zinc/59/45/60/432594560.db2.gz PBKRJAFXQBUOSI-NRFANRHFSA-N 0 3 319.404 3.330 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)o1 ZINC000273489039 432603710 /nfs/dbraw/zinc/60/37/10/432603710.db2.gz MVBZDLPCPLJNGF-PBHICJAKSA-N 0 3 300.333 3.300 20 30 DGEDHN CC1(C)CC[C@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000186660754 432619219 /nfs/dbraw/zinc/61/92/19/432619219.db2.gz MQLKPEMGCFGOQB-QGZVFWFLSA-N 0 3 313.445 3.028 20 30 DGEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000264304606 432634814 /nfs/dbraw/zinc/63/48/14/432634814.db2.gz APRQHGAUEJFWNP-LBPRGKRZSA-N 0 3 314.216 3.016 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1cccs1 ZINC000264411333 432643510 /nfs/dbraw/zinc/64/35/10/432643510.db2.gz LKFZOBQPVKLAIH-LBPRGKRZSA-N 0 3 306.822 3.383 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]c(C)cc1C)C(C)C ZINC000177639855 432645681 /nfs/dbraw/zinc/64/56/81/432645681.db2.gz KQXVYUUAMXJDCG-INIZCTEOSA-N 0 3 303.450 3.060 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H](NCc1cc(C#N)cs1)C1CC1 ZINC000177705172 432652377 /nfs/dbraw/zinc/65/23/77/432652377.db2.gz KSFMPPMRNJQOTG-CQSZACIVSA-N 0 3 321.446 3.013 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc3ccsc32)CC1 ZINC000274349414 432655604 /nfs/dbraw/zinc/65/56/04/432655604.db2.gz OPWSEHYQIMOVKV-UHFFFAOYSA-N 0 3 300.427 3.282 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000187274735 432656096 /nfs/dbraw/zinc/65/60/96/432656096.db2.gz VBDLVMCUPCLHER-AEFFLSMTSA-N 0 3 304.478 3.053 20 30 DGEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000265043007 432666347 /nfs/dbraw/zinc/66/63/47/432666347.db2.gz ZBYZPTBTKNKPPE-GFCCVEGCSA-N 0 3 314.216 3.014 20 30 DGEDHN CC(C)[C@H](CNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000226266359 432703825 /nfs/dbraw/zinc/70/38/25/432703825.db2.gz SOCXMTWGZLGJTE-AWEZNQCLSA-N 0 3 323.462 3.259 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)Cc2ccccc2)CC1 ZINC000265600859 432712116 /nfs/dbraw/zinc/71/21/16/432712116.db2.gz UTKGNVCLYWBTBE-UHFFFAOYSA-N 0 3 314.473 3.412 20 30 DGEDHN C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccc(C#N)cc1 ZINC000274840499 432715877 /nfs/dbraw/zinc/71/58/77/432715877.db2.gz VYYSIIBUSGCDKM-AWEZNQCLSA-N 0 3 319.408 3.318 20 30 DGEDHN CC(C)CN1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000228703407 432718460 /nfs/dbraw/zinc/71/84/60/432718460.db2.gz CAPBAFMIUBACTD-UHFFFAOYSA-N 0 3 322.250 3.099 20 30 DGEDHN Cc1ccc(C#N)c(NC[C@H](C)N2CCc3ccccc3C2)n1 ZINC000160507337 432724021 /nfs/dbraw/zinc/72/40/21/432724021.db2.gz HNVTVRUWQJWRAS-HNNXBMFYSA-N 0 3 306.413 3.120 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccn1 ZINC000159087908 432670439 /nfs/dbraw/zinc/67/04/39/432670439.db2.gz AMVYQSSTTMPXJB-HOCLYGCPSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000265197388 432674208 /nfs/dbraw/zinc/67/42/08/432674208.db2.gz PEWJRBAVAROFFN-SWLSCSKDSA-N 0 3 311.410 3.076 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC(C)C)C(CC)CC)CC1 ZINC000178669272 432764752 /nfs/dbraw/zinc/76/47/52/432764752.db2.gz GDACNNALGIGITC-UHFFFAOYSA-N 0 3 309.498 3.493 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000276022606 432768351 /nfs/dbraw/zinc/76/83/51/432768351.db2.gz CJQFQUIGDBZHOL-FUHWJXTLSA-N 0 3 315.461 3.115 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@@H]2CCC[C@H](C)C2)c(C#N)c1C ZINC000178712116 432769359 /nfs/dbraw/zinc/76/93/59/432769359.db2.gz HSSZYLMSRIXHAC-SMDDNHRTSA-N 0 3 303.406 3.217 20 30 DGEDHN N#Cc1cc(CN2CCCN(Cc3ccccc3)CC2)ccc1F ZINC000160629145 432732668 /nfs/dbraw/zinc/73/26/68/432732668.db2.gz APYHRVGRXIYZDN-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN C=CCN(CCCCC(=O)OCC)Cc1cccc(C#N)c1 ZINC000265818397 432736488 /nfs/dbraw/zinc/73/64/88/432736488.db2.gz RLIWYDFGOKTASG-UHFFFAOYSA-N 0 3 300.402 3.280 20 30 DGEDHN CC[C@@H](C)N(CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1 ZINC000245201720 432824846 /nfs/dbraw/zinc/82/48/46/432824846.db2.gz TXANIYIUTIYYGX-IAGOWNOFSA-N 0 3 315.461 3.295 20 30 DGEDHN Cc1ccc(C#N)c(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1 ZINC000161634008 432790486 /nfs/dbraw/zinc/79/04/86/432790486.db2.gz VDVNTICFZNBEQC-KRWDZBQOSA-N 0 3 320.440 3.363 20 30 DGEDHN Cc1nc(CCNCc2cccc(OCCCC#N)c2)cs1 ZINC000237635480 432795750 /nfs/dbraw/zinc/79/57/50/432795750.db2.gz UTDMBJAOOSKYFQ-UHFFFAOYSA-N 0 3 315.442 3.466 20 30 DGEDHN C#CCC1(C(=O)NCc2cccc(CN(C)C)c2)CCCCC1 ZINC000276325551 432796734 /nfs/dbraw/zinc/79/67/34/432796734.db2.gz RRIGOHDHVFBQHD-UHFFFAOYSA-N 0 3 312.457 3.338 20 30 DGEDHN Cc1ccc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000161780957 432797393 /nfs/dbraw/zinc/79/73/93/432797393.db2.gz XOHPBVRBHSDAIH-AWEZNQCLSA-N 0 3 310.401 3.174 20 30 DGEDHN O=C(NC1CCN(C2CC2)CC1)c1coc(C2CCCC2)n1 ZINC000329963990 432885355 /nfs/dbraw/zinc/88/53/55/432885355.db2.gz UGGXQLPHPQCOJD-UHFFFAOYSA-N 0 3 303.406 3.264 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCC(O)CC2)C1 ZINC000329964298 432885559 /nfs/dbraw/zinc/88/55/59/432885559.db2.gz ULBMUOJRDUJVIF-CCGTUFIJSA-N 0 3 316.445 3.330 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)CCN1C ZINC000330004609 432887141 /nfs/dbraw/zinc/88/71/41/432887141.db2.gz BFUWXWNIHOTSJT-TWRYWWQQSA-N 0 3 321.465 3.351 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296249441 432888981 /nfs/dbraw/zinc/88/89/81/432888981.db2.gz XUNOESOWJYZWME-XHSDSOJGSA-N 0 3 302.805 3.259 20 30 DGEDHN C#C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(C)(C)C ZINC000288200909 432890295 /nfs/dbraw/zinc/89/02/95/432890295.db2.gz MGVFGHUJAHYOPH-MRXNPFEDSA-N 0 3 312.413 3.272 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000245643053 432852826 /nfs/dbraw/zinc/85/28/26/432852826.db2.gz KWECBHMGTVCJAH-LZLYRXPVSA-N 0 3 300.446 3.145 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000245705743 432858453 /nfs/dbraw/zinc/85/84/53/432858453.db2.gz XOXFKERZSRKOPA-ZIAGYGMSSA-N 0 3 314.433 3.109 20 30 DGEDHN C#Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000289206834 432933547 /nfs/dbraw/zinc/93/35/47/432933547.db2.gz IFQICCIPPORZOA-CQSZACIVSA-N 0 3 304.393 3.403 20 30 DGEDHN C=CCCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000279082654 432933576 /nfs/dbraw/zinc/93/35/76/432933576.db2.gz FGUQRNFZTYNILJ-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000331295493 432938558 /nfs/dbraw/zinc/93/85/58/432938558.db2.gz RZRIHUUOLIXFPG-LZJOCLMNSA-N 0 3 304.459 3.036 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279234299 432948820 /nfs/dbraw/zinc/94/88/20/432948820.db2.gz FDVHUTKXBGPJTN-OLMNPRSZSA-N 0 3 309.413 3.183 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000278609612 432898126 /nfs/dbraw/zinc/89/81/26/432898126.db2.gz MMGBXLNAAKONAV-CXAGYDPISA-N 0 3 315.392 3.168 20 30 DGEDHN C[C@H](CC1CCCCC1)NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330232599 432898175 /nfs/dbraw/zinc/89/81/75/432898175.db2.gz RSIRFGXCACZXBO-UKRRQHHQSA-N 0 3 304.438 3.060 20 30 DGEDHN C[C@H](CC1CCCCC1)[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330232599 432898178 /nfs/dbraw/zinc/89/81/78/432898178.db2.gz RSIRFGXCACZXBO-UKRRQHHQSA-N 0 3 304.438 3.060 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N[C@H]1CCCc2ccccc21 ZINC000330251276 432899687 /nfs/dbraw/zinc/89/96/87/432899687.db2.gz HNWLXOZKBWPOFQ-YQVWRLOYSA-N 0 3 314.429 3.178 20 30 DGEDHN CC[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278877686 432911413 /nfs/dbraw/zinc/91/14/13/432911413.db2.gz XPZBBZYOYOHEBJ-HSALFYBXSA-N 0 3 324.424 3.084 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccc(C#N)cc2)[C@]12CCCO2 ZINC000278881894 432912490 /nfs/dbraw/zinc/91/24/90/432912490.db2.gz XYLOGEPSMJFBSS-INDMIFKZSA-N 0 3 314.429 3.326 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000278882833 432912831 /nfs/dbraw/zinc/91/28/31/432912831.db2.gz HCRQVIKRBMIJRI-GOSISDBHSA-N 0 3 316.408 3.090 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCNC(=O)CC1 ZINC000296479814 432912911 /nfs/dbraw/zinc/91/29/11/432912911.db2.gz KJRGTFXBZMJZAX-GFCCVEGCSA-N 0 3 312.866 3.306 20 30 DGEDHN C#C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000289089361 432921978 /nfs/dbraw/zinc/92/19/78/432921978.db2.gz BLJPEWZJXQZWHH-SFHVURJKSA-N 0 3 306.413 3.211 20 30 DGEDHN N#Cc1ccccc1CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000289557242 432968507 /nfs/dbraw/zinc/96/85/07/432968507.db2.gz UTFJPAQEYUTIEU-IBGZPJMESA-N 0 3 303.409 3.195 20 30 DGEDHN C=CCCCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000280102954 433002042 /nfs/dbraw/zinc/00/20/42/433002042.db2.gz ONEABRVUEOQQDJ-UHFFFAOYSA-N 0 3 321.490 3.226 20 30 DGEDHN CC[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279438957 432969073 /nfs/dbraw/zinc/96/90/73/432969073.db2.gz REXDLYYLPOQMMG-INIZCTEOSA-N 0 3 323.444 3.481 20 30 DGEDHN C=C[C@H](CO)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000289668511 432971334 /nfs/dbraw/zinc/97/13/34/432971334.db2.gz HBGORRJRQBJWKI-ZIAGYGMSSA-N 0 3 300.427 3.324 20 30 DGEDHN C=C[C@H](CO)N[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000289668506 432971541 /nfs/dbraw/zinc/97/15/41/432971541.db2.gz HBGORRJRQBJWKI-KGLIPLIRSA-N 0 3 300.427 3.324 20 30 DGEDHN C=CCCN(C)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289695324 432971659 /nfs/dbraw/zinc/97/16/59/432971659.db2.gz NIRWOKUFVKHOPN-UHFFFAOYSA-N 0 3 315.360 3.356 20 30 DGEDHN CN(C)C[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000290063909 432986665 /nfs/dbraw/zinc/98/66/65/432986665.db2.gz HMWHENADVFKHCI-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN CC1(C#N)CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279595245 432987755 /nfs/dbraw/zinc/98/77/55/432987755.db2.gz DTZWQYSRLBDKHX-LJQANCHMSA-N 0 3 308.425 3.369 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CCCC2)cc1 ZINC000279753292 432990700 /nfs/dbraw/zinc/99/07/00/432990700.db2.gz QLRZCVQQNHGBHO-SFHVURJKSA-N 0 3 309.413 3.327 20 30 DGEDHN Cc1ccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279737676 432991016 /nfs/dbraw/zinc/99/10/16/432991016.db2.gz OLILIWJQEZIHOK-BEFAXECRSA-N 0 3 317.392 3.426 20 30 DGEDHN COc1cccc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000341213014 432993090 /nfs/dbraw/zinc/99/30/90/432993090.db2.gz QYOJVOUCUUKYQG-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000290110547 432994556 /nfs/dbraw/zinc/99/45/56/432994556.db2.gz OBZNMRWFBKXXBW-UHFFFAOYSA-N 0 3 304.393 3.085 20 30 DGEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000332284491 432995135 /nfs/dbraw/zinc/99/51/35/432995135.db2.gz DYHSCISNGLXDCA-VKJFTORMSA-N 0 3 309.413 3.135 20 30 DGEDHN CC[C@H](C)CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000349706471 432995206 /nfs/dbraw/zinc/99/52/06/432995206.db2.gz LMESAQMNNJFZAQ-INIZCTEOSA-N 0 3 315.461 3.275 20 30 DGEDHN C[C@]1(O)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000279888556 432997426 /nfs/dbraw/zinc/99/74/26/432997426.db2.gz CVOKIYCTAAWATE-INIZCTEOSA-N 0 3 311.347 3.294 20 30 DGEDHN CC1(C)CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280058278 433001336 /nfs/dbraw/zinc/00/13/36/433001336.db2.gz PIQKDXKJMRKHOO-SJORKVTESA-N 0 3 309.413 3.326 20 30 DGEDHN COCCN(CC[C@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000290253065 433021867 /nfs/dbraw/zinc/02/18/67/433021867.db2.gz KAPLAUUMMQQGIP-FQEVSTJZSA-N 0 3 324.424 3.130 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000280348937 433038621 /nfs/dbraw/zinc/03/86/21/433038621.db2.gz IFHJLHLZMZGRHR-NONVJHHQSA-N 0 3 309.413 3.181 20 30 DGEDHN C[C@@H](CCC#N)N(C)C[C@@H](O)c1ccccc1Br ZINC000298070286 433046111 /nfs/dbraw/zinc/04/61/11/433046111.db2.gz GXYMOFJYKVRRGZ-SMDDNHRTSA-N 0 3 311.223 3.107 20 30 DGEDHN Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)cc(C#N)n1 ZINC000341373115 433041310 /nfs/dbraw/zinc/04/13/10/433041310.db2.gz XGODESZQLNOYRQ-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN CCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1Cl ZINC000341391777 433046861 /nfs/dbraw/zinc/04/68/61/433046861.db2.gz UNZKTHMOHVXHJJ-UHFFFAOYSA-N 0 3 303.793 3.239 20 30 DGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccnc2)s1 ZINC000419837811 433072971 /nfs/dbraw/zinc/07/29/71/433072971.db2.gz MSWBXIMTEKZVKW-LLVKDONJSA-N 0 3 300.387 3.081 20 30 DGEDHN C=CCCCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280559071 433084263 /nfs/dbraw/zinc/08/42/63/433084263.db2.gz UVOOOBSRCAVMNV-GOSISDBHSA-N 0 3 309.413 3.445 20 30 DGEDHN Cn1c(CNCCc2cccc(C#N)c2)nc2cc(Cl)ccc21 ZINC000341487599 433090348 /nfs/dbraw/zinc/09/03/48/433090348.db2.gz OTCDXOQCNHJEMC-UHFFFAOYSA-N 0 3 324.815 3.431 20 30 DGEDHN N#Cc1cccc(CCNCc2csc(-c3ccccn3)n2)c1 ZINC000341496191 433095893 /nfs/dbraw/zinc/09/58/93/433095893.db2.gz YPPPPHHIKYWBKP-UHFFFAOYSA-N 0 3 320.421 3.409 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000373230959 433139192 /nfs/dbraw/zinc/13/91/92/433139192.db2.gz OIVPAAGSKSUYNN-DOTOQJQBSA-N 0 3 324.428 3.091 20 30 DGEDHN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(C)C#N ZINC000447064075 433149627 /nfs/dbraw/zinc/14/96/27/433149627.db2.gz SWGVKURPIJUONF-PWSUYJOCSA-N 0 3 321.218 3.272 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000425119926 433101398 /nfs/dbraw/zinc/10/13/98/433101398.db2.gz AKQVEGVEFCWGRG-CVEARBPZSA-N 0 3 313.445 3.342 20 30 DGEDHN C=CCC[C@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000453342088 433103090 /nfs/dbraw/zinc/10/30/90/433103090.db2.gz FQCIUHXGWVVLJJ-KGLIPLIRSA-N 0 3 321.417 3.059 20 30 DGEDHN Cc1ccc2c(c1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000361337375 433115889 /nfs/dbraw/zinc/11/58/89/433115889.db2.gz RJCBTWYKEREJID-GOSISDBHSA-N 0 3 315.376 3.091 20 30 DGEDHN C=CCCC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000290615437 433115975 /nfs/dbraw/zinc/11/59/75/433115975.db2.gz SAXKMXXVADXVIU-QGZVFWFLSA-N 0 3 304.434 3.159 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000280638122 433117456 /nfs/dbraw/zinc/11/74/56/433117456.db2.gz ZGGYYAGJXHDPNG-KZNAEPCWSA-N 0 3 307.397 3.032 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000446855467 433117935 /nfs/dbraw/zinc/11/79/35/433117935.db2.gz BUYXCKYFLSGAEJ-UHFFFAOYSA-N 0 3 324.424 3.258 20 30 DGEDHN C[C@@H](CCC#N)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298392146 433118542 /nfs/dbraw/zinc/11/85/42/433118542.db2.gz OHHDUYSDXXFIFP-SMDDNHRTSA-N 0 3 311.223 3.107 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412242823 433118655 /nfs/dbraw/zinc/11/86/55/433118655.db2.gz DTMZBZGPBKDZFP-XHSDSOJGSA-N 0 3 304.434 3.098 20 30 DGEDHN C[C@H](CCC#N)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298392133 433118676 /nfs/dbraw/zinc/11/86/76/433118676.db2.gz OHHDUYSDXXFIFP-BXUZGUMPSA-N 0 3 311.223 3.107 20 30 DGEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1nc2ccccc2[nH]1 ZINC000447252271 433174569 /nfs/dbraw/zinc/17/45/69/433174569.db2.gz QVZJSQVRGVUKOX-ZDUSSCGKSA-N 0 3 302.337 3.325 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000280799508 433179331 /nfs/dbraw/zinc/17/93/31/433179331.db2.gz SCIATINNJWXZIN-ZBEGNZNMSA-N 0 3 311.809 3.125 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)oc(=O)n2C ZINC000425365657 433201513 /nfs/dbraw/zinc/20/15/13/433201513.db2.gz MIJQCQDRLJEBHL-ZDUSSCGKSA-N 0 3 321.380 3.196 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337245289 433217670 /nfs/dbraw/zinc/21/76/70/433217670.db2.gz OEDLGXXOHXHPRO-IRXDYDNUSA-N 0 3 304.409 3.242 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(COCCOC)cc2)cc1 ZINC000291009616 433217745 /nfs/dbraw/zinc/21/77/45/433217745.db2.gz DRSGEOJQPFNNQV-UHFFFAOYSA-N 0 3 309.409 3.121 20 30 DGEDHN C=CCOc1ccc(CNC[C@](C)(OC)C2CC2)cc1OC ZINC000291072325 433221141 /nfs/dbraw/zinc/22/11/41/433221141.db2.gz RZOKBUIFYORYEF-SFHVURJKSA-N 0 3 305.418 3.165 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)C[C@@H](C)OC ZINC000291218640 433230443 /nfs/dbraw/zinc/23/04/43/433230443.db2.gz LGHUOJLLTWYALB-CABCVRRESA-N 0 3 324.490 3.008 20 30 DGEDHN CC[C@@H](NCc1ccc(OCCO)cc1)c1ccc(C#N)cc1 ZINC000447580918 433234647 /nfs/dbraw/zinc/23/46/47/433234647.db2.gz RAGLBFKXTOGRHN-LJQANCHMSA-N 0 3 310.397 3.170 20 30 DGEDHN Cc1cc(NC[C@H](C)N2CCc3ccccc3C2)cc(C#N)n1 ZINC000341742536 433246155 /nfs/dbraw/zinc/24/61/55/433246155.db2.gz FQRNXYDMLFLFFY-HNNXBMFYSA-N 0 3 306.413 3.120 20 30 DGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccccc3)CC2)c1 ZINC000298869637 433267532 /nfs/dbraw/zinc/26/75/32/433267532.db2.gz JKXHEYOIPKYUOQ-UHFFFAOYSA-N 0 3 305.381 3.166 20 30 DGEDHN CC[C@@H]1CC[C@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447887817 433315358 /nfs/dbraw/zinc/31/53/58/433315358.db2.gz ALUYGHODCURDNZ-LESCRADOSA-N 0 3 311.429 3.317 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)Cc1ccc(F)cc1 ZINC000425530338 433283927 /nfs/dbraw/zinc/28/39/27/433283927.db2.gz DWRHUQOOJTZTDV-IFXJQAMLSA-N 0 3 312.388 3.294 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCC(F)(F)C(F)F ZINC000425536890 433290303 /nfs/dbraw/zinc/29/03/03/433290303.db2.gz PODAEDZTTRRLCX-LLVKDONJSA-N 0 3 318.314 3.468 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000425543592 433295270 /nfs/dbraw/zinc/29/52/70/433295270.db2.gz RZWRUAYMOCJHGB-QGZVFWFLSA-N 0 3 300.446 3.322 20 30 DGEDHN C[C@H](CCCCNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000291646696 433296564 /nfs/dbraw/zinc/29/65/64/433296564.db2.gz CELDFOTXFMVAAF-CYBMUJFWSA-N 0 3 321.421 3.324 20 30 DGEDHN COc1cc(CN[C@H](C)C[C@@H](O)c2ccccc2)ccc1C#N ZINC000281685343 433349580 /nfs/dbraw/zinc/34/95/80/433349580.db2.gz MPGDPRYWXIRUST-RDTXWAMCSA-N 0 3 310.397 3.169 20 30 DGEDHN CC1=CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000281721933 433358734 /nfs/dbraw/zinc/35/87/34/433358734.db2.gz FHEWANDDASGLKS-UHFFFAOYSA-N 0 3 307.401 3.011 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cc2n(n1)CCC2)C(C)C ZINC000414053163 433363932 /nfs/dbraw/zinc/36/39/32/433363932.db2.gz AMSVCOMYPHJLDN-LPHOPBHVSA-N 0 3 316.493 3.179 20 30 DGEDHN CCN(CC)[C@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000341933154 433364837 /nfs/dbraw/zinc/36/48/37/433364837.db2.gz VFGXOFZFGOGCFW-CYBMUJFWSA-N 0 3 318.808 3.695 20 30 DGEDHN Cc1nc(C)c(C#N)c(SC[C@H]2CCCCN2C(C)C)n1 ZINC000339115443 433368584 /nfs/dbraw/zinc/36/85/84/433368584.db2.gz XVPSEKSSEFHAJT-CQSZACIVSA-N 0 3 304.463 3.320 20 30 DGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000299408119 433369024 /nfs/dbraw/zinc/36/90/24/433369024.db2.gz NZSSBVVAAOEOCP-MJGOQNOKSA-N 0 3 313.445 3.268 20 30 DGEDHN COc1cc(CNCCc2nc3c(cccc3C)o2)ccc1C#N ZINC000281759260 433370297 /nfs/dbraw/zinc/37/02/97/433370297.db2.gz RPGKMXKVFSEESJ-UHFFFAOYSA-N 0 3 321.380 3.349 20 30 DGEDHN COC(=O)C[C@H](NCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000361751884 433374172 /nfs/dbraw/zinc/37/41/72/433374172.db2.gz UIVSJAIGFGXYAN-KRWDZBQOSA-N 0 3 318.392 3.299 20 30 DGEDHN Cc1nc2cc(C(=O)C(C#N)c3cc(C)nc(C)n3)ccc2o1 ZINC000361664609 433330558 /nfs/dbraw/zinc/33/05/58/433330558.db2.gz NPPHWCFNAVDUHF-ZDUSSCGKSA-N 0 3 306.325 3.033 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)c(F)c1 ZINC000291758241 433339454 /nfs/dbraw/zinc/33/94/54/433339454.db2.gz RAJGJVRUHLOJJP-OAHLLOKOSA-N 0 3 313.351 3.205 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000454243402 433341995 /nfs/dbraw/zinc/34/19/95/433341995.db2.gz USQUDQXSBSMROW-QGZVFWFLSA-N 0 3 315.461 3.335 20 30 DGEDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1C#N ZINC000281793662 433382760 /nfs/dbraw/zinc/38/27/60/433382760.db2.gz UTSBERTUQMPXRX-UHFFFAOYSA-N 0 3 313.376 3.062 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000454380453 433399286 /nfs/dbraw/zinc/39/92/86/433399286.db2.gz UUNWKXSCYGGPTK-WBVHZDCISA-N 0 3 301.434 3.087 20 30 DGEDHN COc1ccc2c(c1)OC(C)(C)CN(CCCSCC#N)C2 ZINC000421033660 433404590 /nfs/dbraw/zinc/40/45/90/433404590.db2.gz GHZBPHGRDDFFGA-UHFFFAOYSA-N 0 3 320.458 3.315 20 30 DGEDHN CC(C)(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000301099471 433413558 /nfs/dbraw/zinc/41/35/58/433413558.db2.gz QYKGANUTKIFVKD-UHFFFAOYSA-N 0 3 316.405 3.025 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C2CCC2)CC1 ZINC000454458095 433434936 /nfs/dbraw/zinc/43/49/36/433434936.db2.gz FKUHIZUIFQBIKW-UHFFFAOYSA-N 0 3 307.482 3.152 20 30 DGEDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N(C)Cc1ccccc1 ZINC000301236962 433465131 /nfs/dbraw/zinc/46/51/31/433465131.db2.gz ICURKQMEJVLKDM-AWEZNQCLSA-N 0 3 324.384 3.399 20 30 DGEDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N(C)Cc1ccccc1 ZINC000301236964 433463032 /nfs/dbraw/zinc/46/30/32/433463032.db2.gz ICURKQMEJVLKDM-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN C=CCN1CCC(Nc2nc(-c3ccncc3)nc(C)c2C)CC1 ZINC000301241299 433468044 /nfs/dbraw/zinc/46/80/44/433468044.db2.gz GGNNQQFFBVCUIK-UHFFFAOYSA-N 0 3 323.444 3.218 20 30 DGEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC000414229375 433470684 /nfs/dbraw/zinc/47/06/84/433470684.db2.gz ZYKOLUAQNKXMFW-ZDUSSCGKSA-N 0 3 312.442 3.334 20 30 DGEDHN Cc1nocc1CNC1CCC(Oc2ccccc2C#N)CC1 ZINC000339253261 433471147 /nfs/dbraw/zinc/47/11/47/433471147.db2.gz JZSFXLNJSDUSFK-UHFFFAOYSA-N 0 3 311.385 3.335 20 30 DGEDHN C[C@@H]1CCCN(CCNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301250376 433473434 /nfs/dbraw/zinc/47/34/34/433473434.db2.gz BXAAEKKCDURUIK-LLVKDONJSA-N 0 3 312.339 3.116 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN(C3CCC3)C[C@@H](C)C2)c1C#N ZINC000292241848 433517883 /nfs/dbraw/zinc/51/78/83/433517883.db2.gz JNGZAUQVBCSUAE-GFCCVEGCSA-N 0 3 318.852 3.226 20 30 DGEDHN CC(C)[C@@H](CNc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000301281352 433487217 /nfs/dbraw/zinc/48/72/17/433487217.db2.gz OJUVJTXZHSXLDE-LJQANCHMSA-N 0 3 320.440 3.448 20 30 DGEDHN COCCN(CCCC1(C#N)CCOCC1)Cc1ccc(C)o1 ZINC000282084305 433490042 /nfs/dbraw/zinc/49/00/42/433490042.db2.gz UTMSQHHLOQVPHP-UHFFFAOYSA-N 0 3 320.433 3.137 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(C4CC4)c3)C2)nc1 ZINC000421355693 433501493 /nfs/dbraw/zinc/50/14/93/433501493.db2.gz JISUIUXOOIZGTE-LJQANCHMSA-N 0 3 319.408 3.484 20 30 DGEDHN COc1ccccc1O[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC000421360506 433504438 /nfs/dbraw/zinc/50/44/38/433504438.db2.gz FAZBJQVYSHWESK-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292321426 433551067 /nfs/dbraw/zinc/55/10/67/433551067.db2.gz VVMRVLCUORHLMN-KSSFIOAISA-N 0 3 318.380 3.039 20 30 DGEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)Cc2ccccc2O1 ZINC000292329135 433557058 /nfs/dbraw/zinc/55/70/58/433557058.db2.gz FWWNLTWGJDOAAV-INIZCTEOSA-N 0 3 314.429 3.370 20 30 DGEDHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000355823708 433557501 /nfs/dbraw/zinc/55/75/01/433557501.db2.gz ZDQRWMYUHNWLRM-CQSZACIVSA-N 0 3 307.397 3.111 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000456006984 433561874 /nfs/dbraw/zinc/56/18/74/433561874.db2.gz QYURSYKENRAQDO-ZFWWWQNUSA-N 0 3 314.433 3.109 20 30 DGEDHN N#CCCN(C(=O)CN(C1CCC1)C1CCC1)c1ccccc1 ZINC000292422205 433564281 /nfs/dbraw/zinc/56/42/81/433564281.db2.gz MXHDJDMXOOOMFP-UHFFFAOYSA-N 0 3 311.429 3.340 20 30 DGEDHN CCc1c(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000362191843 433576631 /nfs/dbraw/zinc/57/66/31/433576631.db2.gz RILCSVBHOXZNBL-LBPRGKRZSA-N 0 3 321.302 3.491 20 30 DGEDHN Cc1cc(CNC[C@@H](CO)c2ccccc2Cl)ccc1C#N ZINC000342284943 433585557 /nfs/dbraw/zinc/58/55/57/433585557.db2.gz IRIBWEJJJGMKQH-INIZCTEOSA-N 0 3 314.816 3.386 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000375846480 433592155 /nfs/dbraw/zinc/59/21/55/433592155.db2.gz JFXOLKYMALBHLI-FQEVSTJZSA-N 0 3 323.440 3.468 20 30 DGEDHN N#CCCCCN1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000375739097 433545217 /nfs/dbraw/zinc/54/52/17/433545217.db2.gz XALJUKKIKAISBB-INIZCTEOSA-N 0 3 307.438 3.157 20 30 DGEDHN Cc1nn(-c2cccc(F)c2)cc1CNCC(C)(C)CC#N ZINC000414463235 433630192 /nfs/dbraw/zinc/63/01/92/433630192.db2.gz NLQZLNOAFJFGPP-UHFFFAOYSA-N 0 3 300.381 3.349 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000301528073 433596363 /nfs/dbraw/zinc/59/63/63/433596363.db2.gz GSFHPZBVKOGEMQ-INIZCTEOSA-N 0 3 300.793 3.321 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)CC1 ZINC000448920507 433611378 /nfs/dbraw/zinc/61/13/78/433611378.db2.gz HRKZENLZNPAXAW-ICSRJNTNSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)cc(OC)c2)CC1 ZINC000293056815 433614754 /nfs/dbraw/zinc/61/47/54/433614754.db2.gz LFAZKUVOFLURER-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C(C)C ZINC000456357434 433615410 /nfs/dbraw/zinc/61/54/10/433615410.db2.gz XXLFIGZZIKHHDH-GBESFXJTSA-N 0 3 323.440 3.380 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000301570742 433618414 /nfs/dbraw/zinc/61/84/14/433618414.db2.gz NWCBRNRCZFPCLB-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN CN(CCNc1ccc(F)cc1C#N)Cc1ccc(F)cc1 ZINC000301571339 433619736 /nfs/dbraw/zinc/61/97/36/433619736.db2.gz WZWLAJPGMNLQMF-UHFFFAOYSA-N 0 3 301.340 3.380 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000301587676 433625574 /nfs/dbraw/zinc/62/55/74/433625574.db2.gz WGVCKKXEGWRIHX-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000362353639 433659771 /nfs/dbraw/zinc/65/97/71/433659771.db2.gz QRGVKPKXUNOZAO-GDBMZVCRSA-N 0 3 310.401 3.080 20 30 DGEDHN COc1ccc(CN[C@@H]2CS[C@H](C)C2)cc1OCCCC#N ZINC000414495454 433661193 /nfs/dbraw/zinc/66/11/93/433661193.db2.gz BOVKUENIUKRRRD-HIFRSBDPSA-N 0 3 320.458 3.361 20 30 DGEDHN COc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1C#N ZINC000376149729 433679407 /nfs/dbraw/zinc/67/94/07/433679407.db2.gz MIDYOOOCBRVIGS-DOTOQJQBSA-N 0 3 314.429 3.205 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000362389805 433683176 /nfs/dbraw/zinc/68/31/76/433683176.db2.gz QGZXLHJETDGUQB-HNNXBMFYSA-N 0 3 318.486 3.379 20 30 DGEDHN CN(C)CCN(Cc1cccc(Cl)c1)c1ncccc1C#N ZINC000301635853 433651692 /nfs/dbraw/zinc/65/16/92/433651692.db2.gz KVTGSYHXZPUKFR-UHFFFAOYSA-N 0 3 314.820 3.175 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000362402309 433698066 /nfs/dbraw/zinc/69/80/66/433698066.db2.gz LDYNHOLMAOEZPC-CQSZACIVSA-N 0 3 316.470 3.345 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC(Cc2cccnc2)CC1 ZINC000367517823 293082413 /nfs/dbraw/zinc/08/24/13/293082413.db2.gz MADUMRRCRUXUPB-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000456514198 433699898 /nfs/dbraw/zinc/69/98/98/433699898.db2.gz WGXNWBMRYWLPJL-GOSISDBHSA-N 0 3 321.424 3.493 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000421713174 433699261 /nfs/dbraw/zinc/69/92/61/433699261.db2.gz RYRWGPYFEDEORD-MSOLQXFVSA-N 0 3 300.446 3.289 20 30 DGEDHN N#CCCOCCN(Cc1cccc(Br)c1)C1CC1 ZINC000293374556 433717181 /nfs/dbraw/zinc/71/71/81/433717181.db2.gz FXDTZMIJYMKGNB-UHFFFAOYSA-N 0 3 323.234 3.344 20 30 DGEDHN CCCCOC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000362444929 433717425 /nfs/dbraw/zinc/71/74/25/433717425.db2.gz AKQZFBNFUVSSHB-UHFFFAOYSA-N 0 3 302.418 3.218 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CC[C@H](CC4CC4)C3)C2=O)cc1 ZINC000339674569 433720129 /nfs/dbraw/zinc/72/01/29/433720129.db2.gz AZHVZORRGCDRJN-MJGOQNOKSA-N 0 3 323.440 3.176 20 30 DGEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000362503239 433730654 /nfs/dbraw/zinc/73/06/54/433730654.db2.gz UGTHTYYSPCXRSV-UHFFFAOYSA-N 0 3 308.809 3.351 20 30 DGEDHN C=C(CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1)c1ccccc1 ZINC000351807259 433731069 /nfs/dbraw/zinc/73/10/69/433731069.db2.gz JFZHJRUVTVVDME-NVXWUHKLSA-N 0 3 315.461 3.119 20 30 DGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000428190745 433751870 /nfs/dbraw/zinc/75/18/70/433751870.db2.gz NZKJOEAYACKSDF-GOSKSRJBSA-N 0 3 323.440 3.253 20 30 DGEDHN Cc1ccccc1CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351889405 433770211 /nfs/dbraw/zinc/77/02/11/433770211.db2.gz KZVORBCEQLLJEO-IBGZPJMESA-N 0 3 319.408 3.152 20 30 DGEDHN COCCOc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000421896475 433799862 /nfs/dbraw/zinc/79/98/62/433799862.db2.gz ZQAXSMLJGLGGTE-ZDUSSCGKSA-N 0 3 316.426 3.496 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000362655855 433809947 /nfs/dbraw/zinc/80/99/47/433809947.db2.gz ASMCOSBYNUMSPH-LSDHHAIUSA-N 0 3 321.490 3.395 20 30 DGEDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(C#N)s2)cc1 ZINC000284143765 433844813 /nfs/dbraw/zinc/84/48/13/433844813.db2.gz VHVLGZDWDWFIAK-QGZVFWFLSA-N 0 3 315.442 3.021 20 30 DGEDHN CC[C@@H](NCc1cccnc1-n1cccn1)c1ccc(C#N)cc1 ZINC000377081028 433846945 /nfs/dbraw/zinc/84/69/45/433846945.db2.gz HMBBREGDOAAYQE-GOSISDBHSA-N 0 3 317.396 3.380 20 30 DGEDHN CC[C@H](NCc1cccnc1-n1cccn1)c1ccc(C#N)cc1 ZINC000377081032 433847558 /nfs/dbraw/zinc/84/75/58/433847558.db2.gz HMBBREGDOAAYQE-SFHVURJKSA-N 0 3 317.396 3.380 20 30 DGEDHN Cc1cc(C)c(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000456846985 433860174 /nfs/dbraw/zinc/86/01/74/433860174.db2.gz ULXZDYGWBUOSRJ-KRWDZBQOSA-N 0 3 307.397 3.087 20 30 DGEDHN C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000284984699 433914602 /nfs/dbraw/zinc/91/46/02/433914602.db2.gz BYJRLTPBKVFPJL-ZDUSSCGKSA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000357268067 433929559 /nfs/dbraw/zinc/92/95/59/433929559.db2.gz XTSUTUDAVRIKRI-AWEZNQCLSA-N 0 3 324.384 3.399 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436141907 433888759 /nfs/dbraw/zinc/88/87/59/433888759.db2.gz YBJYNZZDRYNYFO-BBRMVZONSA-N 0 3 323.396 3.025 20 30 DGEDHN COc1ccccc1[C@@H](CNc1cccnc1C#N)N1CCCC1 ZINC000357316156 433949735 /nfs/dbraw/zinc/94/97/35/433949735.db2.gz OCDSHMLWGQAFOY-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN CC(C)(C#N)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285490971 433967844 /nfs/dbraw/zinc/96/78/44/433967844.db2.gz MILGYFZGIMPGIK-UHFFFAOYSA-N 0 3 315.392 3.480 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@H]2CCN(CCC(C)(C)C#N)C[C@H]2C1 ZINC000377757038 433983631 /nfs/dbraw/zinc/98/36/31/433983631.db2.gz CPRPYFWXYMORHI-CABCVRRESA-N 0 3 321.465 3.115 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000345827851 433938562 /nfs/dbraw/zinc/93/85/62/433938562.db2.gz UXDJVDXWZZQWJX-MRXNPFEDSA-N 0 3 315.461 3.275 20 30 DGEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1c(F)cncc1F ZINC000285601446 434007391 /nfs/dbraw/zinc/00/73/91/434007391.db2.gz JHCSNWUOVPXKKZ-GFCCVEGCSA-N 0 3 309.360 3.111 20 30 DGEDHN CN(C)[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000450214982 434030657 /nfs/dbraw/zinc/03/06/57/434030657.db2.gz LGWXMHBILLXYSY-MRXNPFEDSA-N 0 3 324.384 3.051 20 30 DGEDHN CCN1CCC[C@@H]1CNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000450217462 434034163 /nfs/dbraw/zinc/03/41/63/434034163.db2.gz QGPIKUOLQDPAFS-CYBMUJFWSA-N 0 3 316.355 3.281 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000340333111 434070684 /nfs/dbraw/zinc/07/06/84/434070684.db2.gz PSWRSEUKZPVIAP-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000294318406 434080971 /nfs/dbraw/zinc/08/09/71/434080971.db2.gz XSEGRCRVIHFUEX-GUYCJALGSA-N 0 3 300.377 3.413 20 30 DGEDHN CC(C)[C@@H](O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352836912 434055751 /nfs/dbraw/zinc/05/57/51/434055751.db2.gz KWZJXOJPLQCWBE-AWEZNQCLSA-N 0 3 300.324 3.074 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285761532 434057690 /nfs/dbraw/zinc/05/76/90/434057690.db2.gz ZKCBKCOGFPMBJP-DOMZBBRYSA-N 0 3 312.335 3.399 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000294695105 434128371 /nfs/dbraw/zinc/12/83/71/434128371.db2.gz AWJNDEVUXANVFO-SFHVURJKSA-N 0 3 301.430 3.336 20 30 DGEDHN N#Cc1ccccc1OCCN1CC[C@H](COc2ccccc2)C1 ZINC000505818249 294255431 /nfs/dbraw/zinc/25/54/31/294255431.db2.gz HXMCYVIZAUZBPO-KRWDZBQOSA-N 0 3 322.408 3.338 20 30 DGEDHN CC(C)(CCC#N)CN1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000378339151 434145348 /nfs/dbraw/zinc/14/53/48/434145348.db2.gz DROPJDQPEXBKTE-AWEZNQCLSA-N 0 3 302.422 3.456 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294948809 434153782 /nfs/dbraw/zinc/15/37/82/434153782.db2.gz LUKYTZYSICNVLX-ZBFHGGJFSA-N 0 3 322.399 3.367 20 30 DGEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000346179726 434176654 /nfs/dbraw/zinc/17/66/54/434176654.db2.gz JKXWISBNSIYURP-OLZOCXBDSA-N 0 3 323.387 3.074 20 30 DGEDHN CC[C@H](COCC(F)(F)F)NCc1ccc(OC)c(C#N)c1 ZINC000295075979 434184249 /nfs/dbraw/zinc/18/42/49/434184249.db2.gz HVEFTVBGPUPKOL-CYBMUJFWSA-N 0 3 316.323 3.014 20 30 DGEDHN N#Cc1ccnc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000286235816 434202662 /nfs/dbraw/zinc/20/26/62/434202662.db2.gz DXQPPPMVKQLMHI-FQEVSTJZSA-N 0 3 318.424 3.056 20 30 DGEDHN CC(C)(C)CCN1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000340556936 434203697 /nfs/dbraw/zinc/20/36/97/434203697.db2.gz WTUFFQJWEAMWQN-UHFFFAOYSA-N 0 3 303.425 3.251 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000457502947 434208224 /nfs/dbraw/zinc/20/82/24/434208224.db2.gz ZCPWLFHRDVREMR-AWEZNQCLSA-N 0 3 307.463 3.150 20 30 DGEDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000286283044 434216307 /nfs/dbraw/zinc/21/63/07/434216307.db2.gz UQQXOGKSWGGSTE-UHOFOFEASA-N 0 3 317.458 3.149 20 30 DGEDHN COC(=O)c1csc([C@@H](C)NCCc2cccc(C#N)c2)c1 ZINC000353586287 434250632 /nfs/dbraw/zinc/25/06/32/434250632.db2.gz AHMHAUNSUMMRCJ-GFCCVEGCSA-N 0 3 314.410 3.300 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000347070475 434261498 /nfs/dbraw/zinc/26/14/98/434261498.db2.gz NWAPQZSEXDDPFB-ZWNOBZJWSA-N 0 3 307.191 3.272 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000347070471 434261667 /nfs/dbraw/zinc/26/16/67/434261667.db2.gz NWAPQZSEXDDPFB-GWCFXTLKSA-N 0 3 307.191 3.272 20 30 DGEDHN Cc1ccnc(N2CCN(Cc3ccccc3)C[C@H](C)C2)c1C#N ZINC000323961940 434273526 /nfs/dbraw/zinc/27/35/26/434273526.db2.gz ADXKEGPWYLYXCO-INIZCTEOSA-N 0 3 320.440 3.220 20 30 DGEDHN CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000286459032 434274939 /nfs/dbraw/zinc/27/49/39/434274939.db2.gz KGIAEOXLBMEPFK-AWEZNQCLSA-N 0 3 310.363 3.083 20 30 DGEDHN C#CCCOc1ccc(CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000295136223 434222791 /nfs/dbraw/zinc/22/27/91/434222791.db2.gz YWKVCDRMXFHFBI-HXUWFJFHSA-N 0 3 309.409 3.254 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCCOC1 ZINC000437146299 434225447 /nfs/dbraw/zinc/22/54/47/434225447.db2.gz AHRPORBSWZRRCZ-CYBMUJFWSA-N 0 3 310.344 3.018 20 30 DGEDHN C[C@@H](NC[C@@](C)(CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000348293928 434290705 /nfs/dbraw/zinc/29/07/05/434290705.db2.gz QBYJYRAPRYWRFJ-KUHUBIRLSA-N 0 3 312.388 3.298 20 30 DGEDHN CN(CCCOCc1ccccc1)CCOc1ccc(C#N)cc1 ZINC000384291055 434291935 /nfs/dbraw/zinc/29/19/35/434291935.db2.gz VERISBSFJSRXSH-UHFFFAOYSA-N 0 3 324.424 3.476 20 30 DGEDHN CN(C)CCN(Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000340682027 434297287 /nfs/dbraw/zinc/29/72/87/434297287.db2.gz RAAHHTIYKJIXDW-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=CC[C@@H]1N(Cc2cc(C(=O)OC)n(C)c2)CCCC1(C)C ZINC000348396672 434298355 /nfs/dbraw/zinc/29/83/55/434298355.db2.gz QLRABJKCLIRYSL-INIZCTEOSA-N 0 3 304.434 3.378 20 30 DGEDHN C[S@@](=O)Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353643553 434299118 /nfs/dbraw/zinc/29/91/18/434299118.db2.gz WWJCOWSZPHWKDM-AUSIDOKSSA-N 0 3 324.449 3.214 20 30 DGEDHN CN1CCC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000328745276 434305703 /nfs/dbraw/zinc/30/57/03/434305703.db2.gz ABCMJUNWUUFBGK-HRCADAONSA-N 0 3 308.466 3.006 20 30 DGEDHN Cc1ncc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)[nH]1 ZINC000328745307 434306171 /nfs/dbraw/zinc/30/61/71/434306171.db2.gz ABVJLXDXGFEHFO-SWLSCSKDSA-N 0 3 318.446 3.167 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)CCc1ccccc1)CC2 ZINC000353657314 434308450 /nfs/dbraw/zinc/30/84/50/434308450.db2.gz JAPNVGILLRHLLN-QUCCMNQESA-N 0 3 306.409 3.129 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000365836575 434314184 /nfs/dbraw/zinc/31/41/84/434314184.db2.gz VLMVZDCRGQTNID-GOSISDBHSA-N 0 3 323.440 3.202 20 30 DGEDHN C[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)[C@@]1(C)CCCO1 ZINC000328852652 434318130 /nfs/dbraw/zinc/31/81/30/434318130.db2.gz VTMPAJGRMPABQI-JCKWVBRZSA-N 0 3 318.417 3.014 20 30 DGEDHN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000328865541 434321599 /nfs/dbraw/zinc/32/15/99/434321599.db2.gz NHYFHCZSCIHRAO-OAHLLOKOSA-N 0 3 324.428 3.235 20 30 DGEDHN O=C(Nc1ccccc1[O-])C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000328886610 434324817 /nfs/dbraw/zinc/32/48/17/434324817.db2.gz OBFOIHIQPDSEJL-CQSZACIVSA-N 0 3 318.417 3.119 20 30 DGEDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1Cl ZINC000328904161 434325668 /nfs/dbraw/zinc/32/56/68/434325668.db2.gz IWXDMXNDAKDVAQ-CJNGLKHVSA-N 0 3 321.808 3.415 20 30 DGEDHN Cc1cccc(C)c1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328917656 434327906 /nfs/dbraw/zinc/32/79/06/434327906.db2.gz RXARPUAHVNJOOK-KSSFIOAISA-N 0 3 315.417 3.379 20 30 DGEDHN COc1cc(CNC[C@H](C)N(C)Cc2ccccc2)ccc1C#N ZINC000390633899 434367025 /nfs/dbraw/zinc/36/70/25/434367025.db2.gz CTEIKXQLHLLMPW-INIZCTEOSA-N 0 3 323.440 3.177 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295501858 434388051 /nfs/dbraw/zinc/38/80/51/434388051.db2.gz HJYDRWHYTOAOMV-HOCLYGCPSA-N 0 3 313.445 3.233 20 30 DGEDHN COc1ccc2c(c1)CCN(Cc1ccc(F)c(C#N)c1)CC2 ZINC000340752091 434340498 /nfs/dbraw/zinc/34/04/98/434340498.db2.gz YJSUGCUJNSUGEP-UHFFFAOYSA-N 0 3 310.372 3.307 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000295903272 434443724 /nfs/dbraw/zinc/44/37/24/434443724.db2.gz ZHGLYFLPAXKJKB-WOJBJXKFSA-N 0 3 324.468 3.032 20 30 DGEDHN C[C@@H](CNC(=O)c1cc2nc[nH]c2cc1F)N1CCC[C@@H](C)C1 ZINC000329403470 434404529 /nfs/dbraw/zinc/40/45/29/434404529.db2.gz WSXHGCRILADYLJ-NEPJUHHUSA-N 0 3 318.396 3.127 20 30 DGEDHN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC(=O)N1 ZINC000329433115 434408033 /nfs/dbraw/zinc/40/80/33/434408033.db2.gz LBWUUWJKYULXJR-JWDQPFGJSA-N 0 3 315.417 3.143 20 30 DGEDHN CC[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 ZINC000329435606 434408803 /nfs/dbraw/zinc/40/88/03/434408803.db2.gz LTADBJWTNRXHKT-XSXXDBAGSA-N 0 3 320.477 3.459 20 30 DGEDHN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)ccc12 ZINC000329588889 434435483 /nfs/dbraw/zinc/43/54/83/434435483.db2.gz XVKBHFBVNOVSFJ-TZMCWYRMSA-N 0 3 313.401 3.036 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC=C(C)C1)C(C)C ZINC000438214206 434438170 /nfs/dbraw/zinc/43/81/70/434438170.db2.gz KFWGKDRQGLCHLI-QGZVFWFLSA-N 0 3 305.466 3.047 20 30 DGEDHN Cc1ccccc1[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329603272 434439625 /nfs/dbraw/zinc/43/96/25/434439625.db2.gz LIDHCSAAZBWCAK-KSSFIOAISA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1ccccc1[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329603272 434439633 /nfs/dbraw/zinc/43/96/33/434439633.db2.gz LIDHCSAAZBWCAK-KSSFIOAISA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1c(C(=O)NC[C@H]2CCCN2C)cnn1C1CCCCC1 ZINC000329696905 434462527 /nfs/dbraw/zinc/46/25/27/434462527.db2.gz DSGRMRKGJHJCSE-OAHLLOKOSA-N 0 3 304.438 3.096 20 30 DGEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329686551 434463182 /nfs/dbraw/zinc/46/31/82/434463182.db2.gz FRRXQQNRKAOWGW-VNQPRFMTSA-N 0 3 324.428 3.059 20 30 DGEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329686551 434463189 /nfs/dbraw/zinc/46/31/89/434463189.db2.gz FRRXQQNRKAOWGW-VNQPRFMTSA-N 0 3 324.428 3.059 20 30 DGEDHN C=C(Cl)CN[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400531137 434485964 /nfs/dbraw/zinc/48/59/64/434485964.db2.gz RTYLLKLRCMKOJQ-GFCCVEGCSA-N 0 3 302.846 3.364 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(C#N)o2)C1(C)C ZINC000401547551 434496290 /nfs/dbraw/zinc/49/62/90/434496290.db2.gz XJVPCJGOCFZEPN-CQSZACIVSA-N 0 3 319.405 3.029 20 30 DGEDHN Cc1nc(NC[C@@H](C)N2CCC[C@H](C)C2)c(Cl)cc1C#N ZINC000359892392 434449905 /nfs/dbraw/zinc/44/99/05/434449905.db2.gz AHYOKYWIHIDYTA-NWDGAFQWSA-N 0 3 306.841 3.447 20 30 DGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000403971931 434508653 /nfs/dbraw/zinc/50/86/53/434508653.db2.gz BWJPUROYPMEHRZ-KXBFYZLASA-N 0 3 323.415 3.450 20 30 DGEDHN CC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000341053855 434513723 /nfs/dbraw/zinc/51/37/23/434513723.db2.gz GFFNWLLVDYBMKY-LJQANCHMSA-N 0 3 321.424 3.224 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2OC)C12CCC2 ZINC000296118542 434515063 /nfs/dbraw/zinc/51/50/63/434515063.db2.gz IPOOYTMVXYXNBO-DLBZAZTESA-N 0 3 300.402 3.004 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000367461467 434547706 /nfs/dbraw/zinc/54/77/06/434547706.db2.gz YFRBBQXGKWBTGG-KRWDZBQOSA-N 0 3 311.429 3.050 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000367543191 434550587 /nfs/dbraw/zinc/55/05/87/434550587.db2.gz YRWAYASJDALSEB-MRXNPFEDSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000417973047 434561678 /nfs/dbraw/zinc/56/16/78/434561678.db2.gz CCWNYYMMTIAFOR-PBHICJAKSA-N 0 3 303.450 3.293 20 30 DGEDHN C=CCCCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418042728 434572148 /nfs/dbraw/zinc/57/21/48/434572148.db2.gz XZAQIBRCAYXFIG-GOSISDBHSA-N 0 3 311.429 3.495 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000451594681 434574569 /nfs/dbraw/zinc/57/45/69/434574569.db2.gz BLNNSGAIXITIRC-XYPHTWIQSA-N 0 3 302.418 3.070 20 30 DGEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000368494281 434575439 /nfs/dbraw/zinc/57/54/39/434575439.db2.gz FHQVNXQSVTZTEV-YPMHNXCESA-N 0 3 302.846 3.364 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000424066923 434613117 /nfs/dbraw/zinc/61/31/17/434613117.db2.gz UUBDVMQMEJUASP-CHWSQXEVSA-N 0 3 323.849 3.014 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1Cl ZINC000424074285 434615516 /nfs/dbraw/zinc/61/55/16/434615516.db2.gz GWHJQPHZCTZTSK-ZANVPECISA-N 0 3 314.216 3.192 20 30 DGEDHN CCCOc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424089918 434619065 /nfs/dbraw/zinc/61/90/65/434619065.db2.gz LMUXIKFDTJGIFY-GFCCVEGCSA-N 0 3 309.797 3.088 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000424089406 434620929 /nfs/dbraw/zinc/62/09/29/434620929.db2.gz HYONCOYQMKWSNL-IBGZPJMESA-N 0 3 321.424 3.352 20 30 DGEDHN CCC(CC)(NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424112072 434624725 /nfs/dbraw/zinc/62/47/25/434624725.db2.gz IHWUKHNCRLSWFB-OAHLLOKOSA-N 0 3 321.852 3.493 20 30 DGEDHN CC(C)COc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424105399 434626277 /nfs/dbraw/zinc/62/62/77/434626277.db2.gz WAZVDXLKWWAORC-AWEZNQCLSA-N 0 3 323.824 3.334 20 30 DGEDHN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H](N)CCCC#N ZINC000424122499 434627733 /nfs/dbraw/zinc/62/77/33/434627733.db2.gz JMTWGZHVDBLUTO-YJBOKZPZSA-N 0 3 313.445 3.397 20 30 DGEDHN C=CCN(C(=O)NC[C@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000418321773 434628752 /nfs/dbraw/zinc/62/87/52/434628752.db2.gz CQEBMZPZCPKVFE-KRWDZBQOSA-N 0 3 301.434 3.170 20 30 DGEDHN C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424125173 434630593 /nfs/dbraw/zinc/63/05/93/434630593.db2.gz NKEJRKKDKIOLLX-IPOQPSJVSA-N 0 3 319.836 3.174 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000410396792 434645620 /nfs/dbraw/zinc/64/56/20/434645620.db2.gz WKXNZDMWKJFQJW-QRVBRYPASA-N 0 3 312.457 3.350 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452524794 434637314 /nfs/dbraw/zinc/63/73/14/434637314.db2.gz IBZDUHUPONPDPE-KURKYZTESA-N 0 3 309.413 3.183 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(CCc3ccccc3)CC2)C1=O ZINC000410309434 434639174 /nfs/dbraw/zinc/63/91/74/434639174.db2.gz WYFRNCXRPBXTAC-IBGZPJMESA-N 0 3 312.457 3.118 20 30 DGEDHN C[C@H]1CCCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000360594550 434641857 /nfs/dbraw/zinc/64/18/57/434641857.db2.gz AZOYHNGCAUYTOR-MAUKXSAKSA-N 0 3 311.429 3.176 20 30 DGEDHN COc1cc(C)c(C[C@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418138112 434600730 /nfs/dbraw/zinc/60/07/30/434600730.db2.gz FZICRSZCNMNTMS-AWEZNQCLSA-N 0 3 302.418 3.227 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000410396788 434645918 /nfs/dbraw/zinc/64/59/18/434645918.db2.gz WKXNZDMWKJFQJW-FHWLQOOXSA-N 0 3 312.457 3.350 20 30 DGEDHN C[C@@H](c1cccc(O)c1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000440411379 434700227 /nfs/dbraw/zinc/70/02/27/434700227.db2.gz ZLQAVBKDAXGVEX-AWEZNQCLSA-N 0 3 323.396 3.285 20 30 DGEDHN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc(OC)c1OC ZINC000424319046 434693273 /nfs/dbraw/zinc/69/32/73/434693273.db2.gz DINIQPBHBNBPJR-MBNYWOFBSA-N 0 3 304.390 3.055 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440337788 434696541 /nfs/dbraw/zinc/69/65/41/434696541.db2.gz ZGWGAXAUUMYBBM-UZLBHIALSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCn1cc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)nn1 ZINC000424290067 434679666 /nfs/dbraw/zinc/67/96/66/434679666.db2.gz AYJXDTRSQZNZEF-KRWDZBQOSA-N 0 3 312.392 3.329 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1cccc(F)c1 ZINC000354236026 434684033 /nfs/dbraw/zinc/68/40/33/434684033.db2.gz CJEJWYKXOLDDNF-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN CC(C)(CC#N)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000459733898 434684434 /nfs/dbraw/zinc/68/44/34/434684434.db2.gz RFYGUIDAEGLZMM-UHFFFAOYSA-N 0 3 300.381 3.100 20 30 DGEDHN COc1cc(CN[C@H](C)COc2cccc(C)c2)ccc1C#N ZINC000440815506 434748091 /nfs/dbraw/zinc/74/80/91/434748091.db2.gz URNGGALIOCKLKA-OAHLLOKOSA-N 0 3 310.397 3.432 20 30 DGEDHN COc1cccc(CN(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000349403518 434707292 /nfs/dbraw/zinc/70/72/92/434707292.db2.gz CDYPUIZJXVPUFI-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000452796444 434719096 /nfs/dbraw/zinc/71/90/96/434719096.db2.gz MKOZSNNQMSLOLL-KRWDZBQOSA-N 0 3 321.424 3.248 20 30 DGEDHN COc1ccccc1NC(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000411335412 434764289 /nfs/dbraw/zinc/76/42/89/434764289.db2.gz GUEODDDPRQGAKW-AWEZNQCLSA-N 0 3 315.417 3.038 20 30 DGEDHN CCC[C@@H]1CCCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419286695 434764537 /nfs/dbraw/zinc/76/45/37/434764537.db2.gz VNIKOJQUIIEQNL-KBAYOESNSA-N 0 3 313.445 3.281 20 30 DGEDHN CC[C@@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)[C@H]1CC1(C)C ZINC000419314660 434771788 /nfs/dbraw/zinc/77/17/88/434771788.db2.gz IFKMPCDGXZMTLF-ZIAGYGMSSA-N 0 3 303.406 3.121 20 30 DGEDHN CC1CCC(N2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000361033127 434772605 /nfs/dbraw/zinc/77/26/05/434772605.db2.gz RLADHBKYLQJAMV-UHFFFAOYSA-N 0 3 301.409 3.398 20 30 DGEDHN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C2CC2)cc1 ZINC000419354966 434775629 /nfs/dbraw/zinc/77/56/29/434775629.db2.gz MNMLYTDWIZSYSH-BFUOFWGJSA-N 0 3 311.429 3.023 20 30 DGEDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000411430880 434777806 /nfs/dbraw/zinc/77/78/06/434777806.db2.gz SCAPYAPKRFULNS-GOSISDBHSA-N 0 3 322.412 3.365 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCC1(C)C ZINC000445209849 434790097 /nfs/dbraw/zinc/79/00/97/434790097.db2.gz HFZREIAQEFVAFG-UAGQMJEPSA-N 0 3 319.493 3.245 20 30 DGEDHN C=CC[C@H]1N(CC(=O)NC2(C#N)CCCCC2)CCCC1(C)C ZINC000444780377 434790197 /nfs/dbraw/zinc/79/01/97/434790197.db2.gz FAIWSUFQINKHKM-MRXNPFEDSA-N 0 3 317.477 3.396 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCCC1(C)C ZINC000445123934 434791042 /nfs/dbraw/zinc/79/10/42/434791042.db2.gz XADLSJZIPZVOOI-UXLLHSPISA-N 0 3 319.493 3.388 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)N(CC)C[C@H](C)C#N)CCCC1(C)C ZINC000444782341 434791371 /nfs/dbraw/zinc/79/13/71/434791371.db2.gz QPUFOBMATYCBPK-CVEARBPZSA-N 0 3 305.466 3.061 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419452477 434794419 /nfs/dbraw/zinc/79/44/19/434794419.db2.gz HAUJVKNOIZXLRZ-DLBZAZTESA-N 0 3 321.509 3.493 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053522 434862086 /nfs/dbraw/zinc/86/20/86/434862086.db2.gz FMGSVFHRPSICBO-MAUKXSAKSA-N 0 3 311.429 3.096 20 30 DGEDHN CCO[C@@H]1C[C@](CO)(NCCC2(C#N)CCCCC2)C1(C)C ZINC000411615760 434807952 /nfs/dbraw/zinc/80/79/52/434807952.db2.gz SCMPEUGVMDXZDV-CRAIPNDOSA-N 0 3 308.466 3.006 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000411634733 434811538 /nfs/dbraw/zinc/81/15/38/434811538.db2.gz ARHDMQZHMQBPOV-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN CS[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1N1CCCC1 ZINC000445609346 434817462 /nfs/dbraw/zinc/81/74/62/434817462.db2.gz WDPRVDWIVDGSGD-JKSUJKDBSA-N 0 3 321.877 3.228 20 30 DGEDHN C[C@H](CCC#N)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000411728196 434823165 /nfs/dbraw/zinc/82/31/65/434823165.db2.gz RDIXLGWPRXFGEE-CYBMUJFWSA-N 0 3 301.365 3.233 20 30 DGEDHN N#CC1(CCN2CC[C@](CO)(c3ccccc3)C2)CCCCC1 ZINC000411746800 434825573 /nfs/dbraw/zinc/82/55/73/434825573.db2.gz UWPCMBVHQVIJBQ-FQEVSTJZSA-N 0 3 312.457 3.487 20 30 DGEDHN N#CC1(CCN2CC[C@@](CO)(c3ccccc3)C2)CCCCC1 ZINC000411746801 434825626 /nfs/dbraw/zinc/82/56/26/434825626.db2.gz UWPCMBVHQVIJBQ-HXUWFJFHSA-N 0 3 312.457 3.487 20 30 DGEDHN N#Cc1ccc(OCCN2CCSC3(CCC3)CC2)cc1 ZINC000411871200 434838139 /nfs/dbraw/zinc/83/81/39/434838139.db2.gz QIISZWBXCURFJM-UHFFFAOYSA-N 0 3 302.443 3.299 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000372837533 434857972 /nfs/dbraw/zinc/85/79/72/434857972.db2.gz NOGOEQBBHCEPIL-LJQANCHMSA-N 0 3 306.409 3.057 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000573368997 434893578 /nfs/dbraw/zinc/89/35/78/434893578.db2.gz OHZJMMNEBRBRKS-KRWDZBQOSA-N 0 3 316.445 3.097 20 30 DGEDHN N#CCC[C@@H](C#N)CNCCCC(=O)Nc1ccc(Cl)cc1 ZINC000573557020 434908253 /nfs/dbraw/zinc/90/82/53/434908253.db2.gz MWCJJPYJEBZMCB-ZDUSSCGKSA-N 0 3 318.808 3.092 20 30 DGEDHN Cc1cc(CC(C)(C)NC(=O)C(C)C#N)ccc1Br ZINC000554008791 434908626 /nfs/dbraw/zinc/90/86/26/434908626.db2.gz SKVHMOZZIBXUFZ-NSHDSACASA-N 0 3 323.234 3.355 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000491808828 434865794 /nfs/dbraw/zinc/86/57/94/434865794.db2.gz WTCXHIHPQZJWIA-OAHLLOKOSA-N 0 3 310.441 3.086 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460971408 434866905 /nfs/dbraw/zinc/86/69/05/434866905.db2.gz YHZYKXIKXPDXDN-AEFFLSMTSA-N 0 3 314.473 3.365 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000528448002 435024916 /nfs/dbraw/zinc/02/49/16/435024916.db2.gz JKECGXLFIJBASG-ROUUACIJSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000528447999 435025103 /nfs/dbraw/zinc/02/51/03/435025103.db2.gz JKECGXLFIJBASG-QZTJIDSGSA-N 0 3 316.420 3.086 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1cnc2ccccc2n1 ZINC000574857683 435002900 /nfs/dbraw/zinc/00/29/00/435002900.db2.gz ZVAVZUGJLHDNAL-CQSZACIVSA-N 0 3 315.332 3.055 20 30 DGEDHN CCC[C@]1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000464845540 435006790 /nfs/dbraw/zinc/00/67/90/435006790.db2.gz FVSVBWRACXNYOH-LJQANCHMSA-N 0 3 313.445 3.077 20 30 DGEDHN C[C@H](Cc1ccsc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525830805 435009146 /nfs/dbraw/zinc/00/91/46/435009146.db2.gz UUUZXJTZCFZUKK-DYVFJYSZSA-N 0 3 323.421 3.049 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)c2cnc3n2CCCC3)n1 ZINC000556479837 435010184 /nfs/dbraw/zinc/01/01/84/435010184.db2.gz ANOFKTUOCKKNJE-LLVKDONJSA-N 0 3 314.414 3.289 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000466367776 435073536 /nfs/dbraw/zinc/07/35/36/435073536.db2.gz ZKLHYRRRBHJZQF-AQFXKWCLSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000466403508 435075119 /nfs/dbraw/zinc/07/51/19/435075119.db2.gz FZUARUIQKKHBKX-QGZVFWFLSA-N 0 3 321.440 3.254 20 30 DGEDHN CC(C)C[C@@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000466693327 435088166 /nfs/dbraw/zinc/08/81/66/435088166.db2.gz VBEUVIHQOOYHLM-INIZCTEOSA-N 0 3 305.466 3.230 20 30 DGEDHN COc1cccc(C[C@@H]2CCCCCN2C(=O)C(C)C#N)c1 ZINC000529963701 435041848 /nfs/dbraw/zinc/04/18/48/435041848.db2.gz YEAGDKYTKMIQOC-HOCLYGCPSA-N 0 3 300.402 3.169 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000466044693 435056765 /nfs/dbraw/zinc/05/67/65/435056765.db2.gz UJKQIMSZIABUAA-DOTOQJQBSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCOc2ccc(CN)cc21)c1ccccc1 ZINC000638807850 435092715 /nfs/dbraw/zinc/09/27/15/435092715.db2.gz QGCWGKQAICTXAP-INIZCTEOSA-N 0 3 322.408 3.231 20 30 DGEDHN CCC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000559272808 435127033 /nfs/dbraw/zinc/12/70/33/435127033.db2.gz FMCLFQGZUZRLLH-KRWDZBQOSA-N 0 3 305.385 3.232 20 30 DGEDHN CC(C)C[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000469152418 435129949 /nfs/dbraw/zinc/12/99/49/435129949.db2.gz YUQJKQPNFNWONF-IRXDYDNUSA-N 0 3 319.493 3.476 20 30 DGEDHN C=CCCCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000472863670 435141972 /nfs/dbraw/zinc/14/19/72/435141972.db2.gz OUOCWSRVZIGQBF-QGZVFWFLSA-N 0 3 303.450 3.253 20 30 DGEDHN C=CCCCCN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000580037098 435199970 /nfs/dbraw/zinc/19/99/70/435199970.db2.gz ICVWDYGPJIFRBP-UHFFFAOYSA-N 0 3 318.436 3.259 20 30 DGEDHN N#Cc1ccnc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000580066666 435202622 /nfs/dbraw/zinc/20/26/22/435202622.db2.gz LGEQMQBXIXSXCI-INIZCTEOSA-N 0 3 310.426 3.105 20 30 DGEDHN C=CCOCCCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000495613118 435203691 /nfs/dbraw/zinc/20/36/91/435203691.db2.gz VBSXADJAPQUOBN-SFHVURJKSA-N 0 3 324.465 3.055 20 30 DGEDHN COC(=O)C[C@@H](NCc1ccc(C#N)s1)C1CCCCC1 ZINC000580089630 435205220 /nfs/dbraw/zinc/20/52/20/435205220.db2.gz QFLAOEHMPAEGRQ-OAHLLOKOSA-N 0 3 306.431 3.221 20 30 DGEDHN C[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)N1CCCCCC1 ZINC000328744272 297944116 /nfs/dbraw/zinc/94/41/16/297944116.db2.gz NVZLPJHUYXLKGG-ZIAGYGMSSA-N 0 3 307.438 3.249 20 30 DGEDHN C[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000579552754 435163113 /nfs/dbraw/zinc/16/31/13/435163113.db2.gz DXQIPKFAPQYARE-RKVPGOIHSA-N 0 3 311.429 3.174 20 30 DGEDHN C[C@H](CCC#N)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496329402 298364421 /nfs/dbraw/zinc/36/44/21/298364421.db2.gz QZHZQOJSYZGCNA-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496306374 298365154 /nfs/dbraw/zinc/36/51/54/298365154.db2.gz KZADPIOURBAYEG-ILXRZTDVSA-N 0 3 307.438 3.010 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cnc(-c2ccccc2)nc1 ZINC000563208564 435265855 /nfs/dbraw/zinc/26/58/55/435265855.db2.gz YJKUYBDIVMVWAV-UHFFFAOYSA-N 0 3 310.445 3.083 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC(C)(C)C(C)C)C(C)C ZINC000564102831 435271158 /nfs/dbraw/zinc/27/11/58/435271158.db2.gz LMLGCLVTKXMVFY-MRXNPFEDSA-N 0 3 309.498 3.419 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000496993271 435281133 /nfs/dbraw/zinc/28/11/33/435281133.db2.gz BQDFYZFOHQPYEJ-OFQRWUPVSA-N 0 3 321.465 3.304 20 30 DGEDHN COc1ccccc1SC[C@@H](C)CNC[C@@H](C#N)CCC#N ZINC000566108027 435284848 /nfs/dbraw/zinc/28/48/48/435284848.db2.gz SWYDUORZEWTKLK-LSDHHAIUSA-N 0 3 317.458 3.457 20 30 DGEDHN C=CCCCN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497015216 435285670 /nfs/dbraw/zinc/28/56/70/435285670.db2.gz IXXHODRUIGHHMB-CYBMUJFWSA-N 0 3 305.422 3.467 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497030516 435286829 /nfs/dbraw/zinc/28/68/29/435286829.db2.gz BBOGICVGBSAEMF-MAUKXSAKSA-N 0 3 321.465 3.402 20 30 DGEDHN COCCN(C)CC[C@@H](Nc1ncccc1C#N)c1ccccc1 ZINC000505577370 435306952 /nfs/dbraw/zinc/30/69/52/435306952.db2.gz UYWQYKXDYVMVMG-GOSISDBHSA-N 0 3 324.428 3.075 20 30 DGEDHN C=CCCCCN1CCN(c2ncnc3sccc32)CC1 ZINC000562694018 435262803 /nfs/dbraw/zinc/26/28/03/435262803.db2.gz XLTAFRSHVFRIAY-UHFFFAOYSA-N 0 3 302.447 3.170 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]cc1C1CC1)C(C)C ZINC000639517829 435327632 /nfs/dbraw/zinc/32/76/32/435327632.db2.gz PHIJCNDCQWHMBL-SFHVURJKSA-N 0 3 315.461 3.321 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc([C@@H]3CCOC3)c2)nc(C)n1 ZINC000535650722 435340765 /nfs/dbraw/zinc/34/07/65/435340765.db2.gz LAYYEZULZCVOHO-SJORKVTESA-N 0 3 321.380 3.087 20 30 DGEDHN N#CCCNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000567710563 435347212 /nfs/dbraw/zinc/34/72/12/435347212.db2.gz NICAQLZLLBWDPQ-UHFFFAOYSA-N 0 3 312.244 3.461 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC(F)(F)C1)C(C)C ZINC000479683041 435348778 /nfs/dbraw/zinc/34/87/78/435348778.db2.gz GVXSRTSCPLHTAO-HUUCEWRRSA-N 0 3 314.420 3.237 20 30 DGEDHN COCC1(CCN[C@@H](CCC#N)c2ccc(OC)cc2)CC1 ZINC000567857067 435363071 /nfs/dbraw/zinc/36/30/71/435363071.db2.gz YORBPCDMTRIMAV-KRWDZBQOSA-N 0 3 302.418 3.446 20 30 DGEDHN C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H](c1ccccc1)N(C)C ZINC000596217846 435313184 /nfs/dbraw/zinc/31/31/84/435313184.db2.gz XSCYCYBUDFUSOO-ZWNOBZJWSA-N 0 3 320.849 3.771 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCc1ccccc1 ZINC000536083662 435369326 /nfs/dbraw/zinc/36/93/26/435369326.db2.gz XZRSESHYFZSJBM-KRWDZBQOSA-N 0 3 302.462 3.364 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(-c2cccc(F)c2F)o1 ZINC000480305888 435373929 /nfs/dbraw/zinc/37/39/29/435373929.db2.gz IOFNIDSPOAWUPL-LBPRGKRZSA-N 0 3 307.340 3.499 20 30 DGEDHN CC[C@H]1[C@H](C)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481396346 435426174 /nfs/dbraw/zinc/42/61/74/435426174.db2.gz BZQCKMJEYIDRBZ-ABAIWWIYSA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cnn(Cc2ccccc2Cl)c1 ZINC000648821014 435431980 /nfs/dbraw/zinc/43/19/80/435431980.db2.gz ZYWTWVDUJVLTDJ-INIZCTEOSA-N 0 3 319.836 3.002 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCCc2ccc(F)cc2)CC1 ZINC000569137063 435507511 /nfs/dbraw/zinc/50/75/11/435507511.db2.gz DEPUIVUYUZSYCD-UHFFFAOYSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000539457219 435554549 /nfs/dbraw/zinc/55/45/49/435554549.db2.gz UAHNDGWSKZXFLV-RDJZCZTQSA-N 0 3 303.450 3.333 20 30 DGEDHN N#Cc1cccc(CCNCc2conc2Cc2ccccc2)c1 ZINC000517249595 435586804 /nfs/dbraw/zinc/58/68/04/435586804.db2.gz LNYKQFPKVUPVJS-UHFFFAOYSA-N 0 3 317.392 3.469 20 30 DGEDHN C=C(CC)CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000539103081 435539358 /nfs/dbraw/zinc/53/93/58/435539358.db2.gz ALDHEFISCOFKCY-CQSZACIVSA-N 0 3 317.351 3.343 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(F)cc1Br ZINC000539296553 435543823 /nfs/dbraw/zinc/54/38/23/435543823.db2.gz CIYYJPKTSOWGPY-MNOVXSKESA-N 0 3 316.214 3.423 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)NCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000539260488 435544576 /nfs/dbraw/zinc/54/45/76/435544576.db2.gz BZVODQSSOZXXFZ-IDHHARJASA-N 0 3 313.445 3.092 20 30 DGEDHN C=CCNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000540588685 435607885 /nfs/dbraw/zinc/60/78/85/435607885.db2.gz AFVPPNXPHPWLPJ-IBGZPJMESA-N 0 3 300.446 3.228 20 30 DGEDHN CC(C)[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCN1C ZINC000487071732 435623960 /nfs/dbraw/zinc/62/39/60/435623960.db2.gz AYJZSCZQMBVWSX-OAHLLOKOSA-N 0 3 311.351 3.353 20 30 DGEDHN CC(C)(C#N)CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541024854 435635083 /nfs/dbraw/zinc/63/50/83/435635083.db2.gz QIYFRUFHSXPFCC-CYBMUJFWSA-N 0 3 300.324 3.268 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)c(N)c1)C(C)C ZINC000645415075 435640278 /nfs/dbraw/zinc/64/02/78/435640278.db2.gz FBOXZPYEEYQIDJ-SFHVURJKSA-N 0 3 315.461 3.006 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1N[C@H]1CCN(C2CC2)C1 ZINC000518523276 435642770 /nfs/dbraw/zinc/64/27/70/435642770.db2.gz IVODLCFFQNNJQL-LBPRGKRZSA-N 0 3 312.804 3.408 20 30 DGEDHN C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000416139564 299063611 /nfs/dbraw/zinc/06/36/11/299063611.db2.gz QNKWGXWTQKWJSK-KXBFYZLASA-N 0 3 321.424 3.428 20 30 DGEDHN COC(=O)[C@H](C)[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000542207009 435646604 /nfs/dbraw/zinc/64/66/04/435646604.db2.gz VHVGKIPRQRKFIE-DNVCBOLYSA-N 0 3 322.408 3.393 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)c1C#N ZINC000547832988 435650851 /nfs/dbraw/zinc/65/08/51/435650851.db2.gz OKEDOGIVZZEOQL-GDZNZVCISA-N 0 3 300.402 3.259 20 30 DGEDHN CN(CCN(C)C1CC1)c1c(C#N)cnc2c(Cl)cccc21 ZINC000519147677 435670973 /nfs/dbraw/zinc/67/09/73/435670973.db2.gz UKPBNZLMPUKYCD-UHFFFAOYSA-N 0 3 314.820 3.290 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000519274546 435677001 /nfs/dbraw/zinc/67/70/01/435677001.db2.gz ACVOCVOTUBWRDO-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548302776 435682365 /nfs/dbraw/zinc/68/23/65/435682365.db2.gz WJDKNRMQSAPCNQ-OLZOCXBDSA-N 0 3 319.836 3.062 20 30 DGEDHN C=CCCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000571273764 435692948 /nfs/dbraw/zinc/69/29/48/435692948.db2.gz YNEUCSMSIGPHKL-MRXNPFEDSA-N 0 3 305.397 3.378 20 30 DGEDHN CCC#C[C@H](C)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649780663 435702151 /nfs/dbraw/zinc/70/21/51/435702151.db2.gz FYPDDXMKOKZXEY-YCPHGPKFSA-N 0 3 301.434 3.249 20 30 DGEDHN C=CCCC[C@@H](C)n1cc(COc2ccccc2CN)nn1 ZINC000641234876 435720079 /nfs/dbraw/zinc/72/00/79/435720079.db2.gz WBIBRSAVKARWMT-CQSZACIVSA-N 0 3 300.406 3.233 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(F)cc2Cl)CC1 ZINC000491664794 435787847 /nfs/dbraw/zinc/78/78/47/435787847.db2.gz UJDCATVBEAKEQV-UHFFFAOYSA-N 0 3 308.784 3.071 20 30 DGEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491672743 435790789 /nfs/dbraw/zinc/79/07/89/435790789.db2.gz USYGCVZLKWMYKM-YPMHNXCESA-N 0 3 308.809 3.067 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccccc2Cl)nc1C ZINC000655778934 435793537 /nfs/dbraw/zinc/79/35/37/435793537.db2.gz XIHXSOZYUBDCBX-WBVHZDCISA-N 0 3 317.820 3.267 20 30 DGEDHN CC#CC[C@H](CO)NCc1cc(Br)c(Cl)s1 ZINC000641768026 435815239 /nfs/dbraw/zinc/81/52/39/435815239.db2.gz UQANFSOUBFARMH-MRVPVSSYSA-N 0 3 322.655 3.028 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC000660598407 435819854 /nfs/dbraw/zinc/81/98/54/435819854.db2.gz YOWOEIHOSUDYGA-INIZCTEOSA-N 0 3 305.466 3.025 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(F)c(Cl)c2)CC1 ZINC000491543919 435768656 /nfs/dbraw/zinc/76/86/56/435768656.db2.gz DFIGWYLGQQYYID-XQRVVYSFSA-N 0 3 322.811 3.259 20 30 DGEDHN C=CC[C@H](CO)CNCc1cn(-c2ccccc2Cl)nc1C ZINC000655756811 435775518 /nfs/dbraw/zinc/77/55/18/435775518.db2.gz YQTAOLASJZAEFB-AWEZNQCLSA-N 0 3 319.836 3.108 20 30 DGEDHN C#C[C@H](CCC)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000491626169 435781863 /nfs/dbraw/zinc/78/18/63/435781863.db2.gz MIEVRFFLRPVPKL-GOSISDBHSA-N 0 3 315.461 3.082 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000551708164 435848211 /nfs/dbraw/zinc/84/82/11/435848211.db2.gz KEWOTVGXSZJBSR-UTKZUKDTSA-N 0 3 319.452 3.478 20 30 DGEDHN OCCC1(NCC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000660678609 435857221 /nfs/dbraw/zinc/85/72/21/435857221.db2.gz PTVRTSIYBLSGOV-UHFFFAOYSA-N 0 3 311.347 3.342 20 30 DGEDHN C=CCc1cc(CN(CC)[C@@H]2CCCOC2)cc(OC)c1O ZINC000651948693 435874083 /nfs/dbraw/zinc/87/40/83/435874083.db2.gz SRLYVVVKTNHRGM-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000665389060 435964209 /nfs/dbraw/zinc/96/42/09/435964209.db2.gz AOWQJQYYRFFRQL-BDXSIMOUSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(Cl)cc1)[C@H](C)COC ZINC000661239185 436003610 /nfs/dbraw/zinc/00/36/10/436003610.db2.gz CLBWQKDPBNCPOA-CYBMUJFWSA-N 0 3 310.825 3.192 20 30 DGEDHN C=CCCC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CCCC1 ZINC000665588900 436012277 /nfs/dbraw/zinc/01/22/77/436012277.db2.gz GSTAWMKLWVQDGU-SJORKVTESA-N 0 3 321.509 3.495 20 30 DGEDHN C=CCCC(C)(C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000665604073 436015665 /nfs/dbraw/zinc/01/56/65/436015665.db2.gz WNSVZSKUEXIXTB-UHFFFAOYSA-N 0 3 319.449 3.493 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)CCCC1 ZINC000661531694 436101733 /nfs/dbraw/zinc/10/17/33/436101733.db2.gz UICOBUQTXJWVTD-LJQANCHMSA-N 0 3 319.493 3.250 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N(CC)[C@@H]2CCN(C)C2)c1 ZINC000665956461 436106492 /nfs/dbraw/zinc/10/64/92/436106492.db2.gz QUMXJTSEXSGPNB-MRXNPFEDSA-N 0 3 317.433 3.199 20 30 DGEDHN C=CCCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000661571193 436110447 /nfs/dbraw/zinc/11/04/47/436110447.db2.gz QYWDRTCYLLBDRC-SFHVURJKSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCCn1cc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000657391494 436175222 /nfs/dbraw/zinc/17/52/22/436175222.db2.gz LSACNDFIDBLFKJ-STQMWFEESA-N 0 3 316.371 3.313 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661881872 436221197 /nfs/dbraw/zinc/22/11/97/436221197.db2.gz XNAAGWHTRQPPKT-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661881873 436222752 /nfs/dbraw/zinc/22/27/52/436222752.db2.gz XNAAGWHTRQPPKT-RCCFBDPRSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCn1cc(CN2CCC[C@@]2(C)Cc2ccccc2)nn1 ZINC000653618795 436225613 /nfs/dbraw/zinc/22/56/13/436225613.db2.gz YBSBYBVZOYKEKZ-IBGZPJMESA-N 0 3 310.445 3.451 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000662031813 436251797 /nfs/dbraw/zinc/25/17/97/436251797.db2.gz BNLGUNCNOQJGNG-GJZGRUSLSA-N 0 3 309.331 3.025 20 30 DGEDHN C=C(C)COc1cc(CN[C@H]2C[C@H](OCC)C2)ccc1OC ZINC000657610639 436259276 /nfs/dbraw/zinc/25/92/76/436259276.db2.gz QDHITVYTQFDGEL-WKILWMFISA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCC1(NCc2ccc(Br)o2)CCOCC1 ZINC000657633015 436264045 /nfs/dbraw/zinc/26/40/45/436264045.db2.gz QOECKHPUAKTLTA-UHFFFAOYSA-N 0 3 300.196 3.257 20 30 DGEDHN C=CCC1(NCc2cn3cc(Cl)ccc3n2)CCOCC1 ZINC000657633375 436264347 /nfs/dbraw/zinc/26/43/47/436264347.db2.gz MYOYMPMBMFVUJT-UHFFFAOYSA-N 0 3 305.809 3.203 20 30 DGEDHN C=CCC1(NCc2nc3cc(Cl)ccc3n2C)CCOCC1 ZINC000657632964 436264996 /nfs/dbraw/zinc/26/49/96/436264996.db2.gz FLFAJQHOSUVHFP-UHFFFAOYSA-N 0 3 319.836 3.442 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccccc1F ZINC000662083565 436269866 /nfs/dbraw/zinc/26/98/66/436269866.db2.gz GALALSAKWYRBLU-CWRNSKLLSA-N 0 3 302.393 3.013 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000662086336 436270048 /nfs/dbraw/zinc/27/00/48/436270048.db2.gz RHSHYHCLUVEXGU-BMFZPTHFSA-N 0 3 300.402 3.205 20 30 DGEDHN C=CCOCCCNCc1cc(OC)ccc1Br ZINC000657657969 436270231 /nfs/dbraw/zinc/27/02/31/436270231.db2.gz GUDYDYAKZFYCSS-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659038005 436461706 /nfs/dbraw/zinc/46/17/06/436461706.db2.gz LGAOQYNPJRKUSV-YOEHRIQHSA-N 0 3 317.433 3.214 20 30 DGEDHN C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655615858 436569344 /nfs/dbraw/zinc/56/93/44/436569344.db2.gz LUCDFXPGBDQAPN-HNNXBMFYSA-N 0 3 319.497 3.288 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000660339980 436624796 /nfs/dbraw/zinc/62/47/96/436624796.db2.gz LGMXBPMOZIPYMO-VQHPVUNQSA-N 0 3 305.466 3.142 20 30 DGEDHN C=CCC[C@@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000664497356 436611313 /nfs/dbraw/zinc/61/13/13/436611313.db2.gz QUOIKTDKQRIHFQ-ZWKOTPCHSA-N 0 3 315.461 3.430 20 30 DGEDHN N#CCCN(C(=O)CN1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000263969573 303151874 /nfs/dbraw/zinc/15/18/74/303151874.db2.gz AZFNBGYWHDCZHO-SFHVURJKSA-N 0 3 311.429 3.198 20 30 DGEDHN N#CCSCCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553908 303156651 /nfs/dbraw/zinc/15/66/51/303156651.db2.gz UQPMWHDJFSYSDB-HUUCEWRRSA-N 0 3 310.850 3.095 20 30 DGEDHN Cc1cccc([C@H](C)NCC(=O)NCc2cccc(C#N)c2)c1C ZINC000538187947 313850615 /nfs/dbraw/zinc/85/06/15/313850615.db2.gz MCHSLFZMQSRKBM-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN COC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCO1 ZINC000558794619 314864225 /nfs/dbraw/zinc/86/42/25/314864225.db2.gz PHISDVSKFORYMR-QYZOEREBSA-N 0 3 314.429 3.109 20 30 DGEDHN N#Cc1nccc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000563735304 315134740 /nfs/dbraw/zinc/13/47/40/315134740.db2.gz YXPVSYFMXGBZSZ-OAHLLOKOSA-N 0 3 310.426 3.105 20 30 DGEDHN Cc1csc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1C#N ZINC000565161726 315236285 /nfs/dbraw/zinc/23/62/85/315236285.db2.gz KCFMTPCOJBPKRV-YPMHNXCESA-N 0 3 320.462 3.170 20 30 DGEDHN CC[C@H](Cc1ccccc1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000565363358 315255755 /nfs/dbraw/zinc/25/57/55/315255755.db2.gz QXAPECDLZQHFPK-GOSISDBHSA-N 0 3 319.412 3.054 20 30 DGEDHN C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000566694557 315368253 /nfs/dbraw/zinc/36/82/53/315368253.db2.gz JYJOPLYJXLMRDP-RGYTYGDFSA-N 0 3 317.408 3.041 20 30 DGEDHN Cc1cc(CNCc2ccnc(N3CCCC3)c2)ccc1C#N ZINC000567001191 315389597 /nfs/dbraw/zinc/38/95/97/315389597.db2.gz KEQQJFPHJPOHPJ-UHFFFAOYSA-N 0 3 306.413 3.152 20 30 DGEDHN C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(C#N)c(F)c1 ZINC000567368331 315417441 /nfs/dbraw/zinc/41/74/41/315417441.db2.gz SNBAROIVBLALJJ-MEDUHNTESA-N 0 3 314.335 3.491 20 30 DGEDHN CCC[C@@H](NCc1cccc(C(=O)OC)c1C#N)C1CCC1 ZINC000574902779 316014460 /nfs/dbraw/zinc/01/44/60/316014460.db2.gz IYKPBLALPKOZCK-QGZVFWFLSA-N 0 3 300.402 3.403 20 30 DGEDHN CCCN(CC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000577883566 316281457 /nfs/dbraw/zinc/28/14/57/316281457.db2.gz BTLLHZPRAXTMDD-GOSISDBHSA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000347955750 533704905 /nfs/dbraw/zinc/70/49/05/533704905.db2.gz KYGNVDSQDBBXOD-KBXCAEBGSA-N 0 3 303.365 3.118 20 30 DGEDHN CN(C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000180661350 323235344 /nfs/dbraw/zinc/23/53/44/323235344.db2.gz CJUVLEGSVVLBGI-UHFFFAOYSA-N 0 3 324.384 3.034 20 30 DGEDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1cccc(C#N)c1 ZINC000181445287 323253968 /nfs/dbraw/zinc/25/39/68/323253968.db2.gz BGKKSJPGTAXRDI-OAHLLOKOSA-N 0 3 317.396 3.049 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000182928891 323316235 /nfs/dbraw/zinc/31/62/35/323316235.db2.gz UJOOHFSRBYPKSV-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1nc(C)c(C#N)c(SCCN2C[C@H](C)C[C@H](C)C2)n1 ZINC000582498056 324237805 /nfs/dbraw/zinc/23/78/05/324237805.db2.gz JJILFLSRWHUNRB-TXEJJXNPSA-N 0 3 304.463 3.035 20 30 DGEDHN Cc1nc(C)c(C#N)c(SCCN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000582498055 324237973 /nfs/dbraw/zinc/23/79/73/324237973.db2.gz JJILFLSRWHUNRB-RYUDHWBXSA-N 0 3 304.463 3.035 20 30 DGEDHN Cc1ccccc1C(C)(C)NCC(=O)NCc1cccc(C#N)c1 ZINC000583643925 324381246 /nfs/dbraw/zinc/38/12/46/324381246.db2.gz GRWHAUHVQNISMU-UHFFFAOYSA-N 0 3 321.424 3.008 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C\c2cccc(F)c2)CC1 ZINC000255265892 331726485 /nfs/dbraw/zinc/72/64/85/331726485.db2.gz JPKWIOTZUXSYPV-XQRVVYSFSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCNC(=O)CNCc1sc2c(cccc2Cl)c1C ZINC000559295166 332018611 /nfs/dbraw/zinc/01/86/11/332018611.db2.gz RFOMSGZBSAPCKD-UHFFFAOYSA-N 0 3 308.834 3.255 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000518500901 332068419 /nfs/dbraw/zinc/06/84/19/332068419.db2.gz DUMGWEFJQPRAQV-KGLIPLIRSA-N 0 3 318.383 3.122 20 30 DGEDHN CC#CCCCC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000561615953 332470384 /nfs/dbraw/zinc/47/03/84/332470384.db2.gz USBIEQNECKEKRS-UHFFFAOYSA-N 0 3 304.478 3.437 20 30 DGEDHN C#CCOc1ccccc1CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293685808 335112201 /nfs/dbraw/zinc/11/22/01/335112201.db2.gz QFZYSUSJCMHEAP-IBGZPJMESA-N 0 3 311.425 3.090 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1C ZINC000497605622 333268156 /nfs/dbraw/zinc/26/81/56/333268156.db2.gz MWXZEQFQOWDYAB-LJQANCHMSA-N 0 3 311.425 3.423 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cccs1)C(C)C ZINC000337451129 333449480 /nfs/dbraw/zinc/44/94/80/333449480.db2.gz TVLGTMZGCIOMDU-INIZCTEOSA-N 0 3 321.490 3.246 20 30 DGEDHN COc1cccc(N2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000160698998 333476951 /nfs/dbraw/zinc/47/69/51/333476951.db2.gz MMVBYHVQHLUUDS-UHFFFAOYSA-N 0 3 301.434 3.147 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Br)s1 ZINC000320267287 333486778 /nfs/dbraw/zinc/48/67/78/333486778.db2.gz LBTKUNSIHQVMOG-ZJUUUORDSA-N 0 3 304.253 3.488 20 30 DGEDHN COc1ccc([C@H](O)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293548958 334198992 /nfs/dbraw/zinc/19/89/92/334198992.db2.gz KYUCNMPBRCPNQS-BJZITVGISA-N 0 3 314.429 3.133 20 30 DGEDHN C=CCc1cc(CNCc2cc(C)cc(N)c2)cc(OC)c1O ZINC000414966650 334214522 /nfs/dbraw/zinc/21/45/22/334214522.db2.gz OYFBLLYPCCQCPI-UHFFFAOYSA-N 0 3 312.413 3.310 20 30 DGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000299408116 334255267 /nfs/dbraw/zinc/25/52/67/334255267.db2.gz NZSSBVVAAOEOCP-HKUYNNGSSA-N 0 3 313.445 3.268 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cncc(CC)c1)C(C)C ZINC000344680899 335266081 /nfs/dbraw/zinc/26/60/81/335266081.db2.gz QNJADQLUFDQJAH-GOSISDBHSA-N 0 3 315.461 3.072 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)c(C)o1)C(C)C ZINC000532261147 335926962 /nfs/dbraw/zinc/92/69/62/335926962.db2.gz AJXOXXGFGMBVBM-INIZCTEOSA-N 0 3 304.434 3.325 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000030562264 336258751 /nfs/dbraw/zinc/25/87/51/336258751.db2.gz LKNWQIDYYDQDPN-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN CC(C)O[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000582241979 336391382 /nfs/dbraw/zinc/39/13/82/336391382.db2.gz SMGAGJAZCSCZJH-GOSISDBHSA-N 0 3 302.418 3.368 20 30 DGEDHN N#CC[C@@H](CC(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000354418591 336470082 /nfs/dbraw/zinc/47/00/82/336470082.db2.gz IMGFZMORZVGGBI-SFHVURJKSA-N 0 3 313.445 3.066 20 30 DGEDHN C[C@@]1(NCc2cccc(OCCCC#N)c2)CCO[C@H]1C1CC1 ZINC000378650983 337077700 /nfs/dbraw/zinc/07/77/00/337077700.db2.gz PTPANXIWLVESBP-RBUKOAKNSA-N 0 3 314.429 3.416 20 30 DGEDHN N#CCC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000397310920 337259966 /nfs/dbraw/zinc/25/99/66/337259966.db2.gz SNCPKCCMICXYFZ-UHFFFAOYSA-N 0 3 323.234 3.454 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)CCCC#N)C2)s1 ZINC000583326620 337316425 /nfs/dbraw/zinc/31/64/25/337316425.db2.gz HOEZROMQQYTHSB-HNNXBMFYSA-N 0 3 319.474 3.031 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](C)c1sccc1Br ZINC000320321324 337595072 /nfs/dbraw/zinc/59/50/72/337595072.db2.gz XHNYRYLGXGAULR-NXEZZACHSA-N 0 3 304.253 3.488 20 30 DGEDHN Cc1csc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)n1 ZINC000424116565 337741605 /nfs/dbraw/zinc/74/16/05/337741605.db2.gz XMTCDGRKPJYHJE-AWEZNQCLSA-N 0 3 314.414 3.078 20 30 DGEDHN CCC(C)(C)c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424166254 337789573 /nfs/dbraw/zinc/78/95/73/337789573.db2.gz CBZUSLXZMINJAF-INIZCTEOSA-N 0 3 301.434 3.012 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000106038923 337812175 /nfs/dbraw/zinc/81/21/75/337812175.db2.gz MFLMWNAIPVYRGL-UHFFFAOYSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCCCCN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000516147618 338005354 /nfs/dbraw/zinc/00/53/54/338005354.db2.gz NHFAFEKSGCIZLU-UHFFFAOYSA-N 0 3 319.445 3.469 20 30 DGEDHN C=CCN(C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1 ZINC000508892119 340255310 /nfs/dbraw/zinc/25/53/10/340255310.db2.gz HWLJTQRBVKAJHZ-MAUKXSAKSA-N 0 3 315.461 3.346 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000509576883 340273845 /nfs/dbraw/zinc/27/38/45/340273845.db2.gz ILAOZGQRXZGROR-CABCVRRESA-N 0 3 305.422 3.092 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510552359 340302517 /nfs/dbraw/zinc/30/25/17/340302517.db2.gz QDYXDPMGCTVSGA-APWZRJJASA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000510766983 340310244 /nfs/dbraw/zinc/31/02/44/340310244.db2.gz VKTUNAIRNPNWBW-QGZVFWFLSA-N 0 3 303.837 3.488 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000511179505 340323419 /nfs/dbraw/zinc/32/34/19/340323419.db2.gz XTXGDTSQZNAVRI-KSSFIOAISA-N 0 3 301.434 3.172 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000512636284 340370266 /nfs/dbraw/zinc/37/02/66/340370266.db2.gz KXJKBJMBTQEATP-HOTGVXAUSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CC=CCC1)C(C)C ZINC000514073775 340444542 /nfs/dbraw/zinc/44/45/42/340444542.db2.gz CLHBXKLZRRANRA-MSOLQXFVSA-N 0 3 319.493 3.341 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC=CCC1)C(C)C ZINC000522998747 340613035 /nfs/dbraw/zinc/61/30/35/340613035.db2.gz GXKFLNDIIQDKSA-IRXDYDNUSA-N 0 3 305.466 3.093 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1ccccc1)N(CC)CC)C1CC1 ZINC000538958154 340863432 /nfs/dbraw/zinc/86/34/32/340863432.db2.gz IAENNOVZRFRVAW-SFHVURJKSA-N 0 3 315.461 3.430 20 30 DGEDHN N#CCC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000543780067 341058461 /nfs/dbraw/zinc/05/84/61/341058461.db2.gz MIFBJBBSJWIUDI-LJQANCHMSA-N 0 3 314.429 3.370 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000544190948 341073819 /nfs/dbraw/zinc/07/38/19/341073819.db2.gz BGHRPQSUYKNTOG-GOSISDBHSA-N 0 3 300.446 3.209 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C12CCC(CC1)C2)C(C)C ZINC000544231805 341074766 /nfs/dbraw/zinc/07/47/66/341074766.db2.gz VFCXYXPNGZFBBD-TVRKMHQQSA-N 0 3 304.478 3.382 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000546214955 341157418 /nfs/dbraw/zinc/15/74/18/341157418.db2.gz ZGXLLBWITGOKGJ-MRXNPFEDSA-N 0 3 312.457 3.417 20 30 DGEDHN C=C(C)COCCNCc1ccccc1OCc1cccnc1 ZINC000134503545 341216573 /nfs/dbraw/zinc/21/65/73/341216573.db2.gz JHMVSEFATLEGBC-UHFFFAOYSA-N 0 3 312.413 3.343 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246207952 341333682 /nfs/dbraw/zinc/33/36/82/341333682.db2.gz NLMSUWHVWSNTQI-KLHDSHLOSA-N 0 3 321.465 3.304 20 30 DGEDHN C=CCN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000154909046 341597822 /nfs/dbraw/zinc/59/78/22/341597822.db2.gz BGUJVAHROFFHHM-HNNXBMFYSA-N 0 3 301.434 3.039 20 30 DGEDHN C=CCCCCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000574758642 341768013 /nfs/dbraw/zinc/76/80/13/341768013.db2.gz UZSNWJHRLDSIOW-AWEZNQCLSA-N 0 3 304.463 3.469 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ncsc2C(C)C)CC1 ZINC000576667173 341857676 /nfs/dbraw/zinc/85/76/76/341857676.db2.gz MDIOCORPTYQQKY-UHFFFAOYSA-N 0 3 322.478 3.429 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001691740457 1177974950 /nfs/dbraw/zinc/97/49/50/1177974950.db2.gz VHCQASDDADYNGI-TYNCELHUSA-N 0 3 319.276 3.392 20 30 DGEDHN COc1cccc([C@H](CNCc2ccc(C#N)c(C)c2)N(C)C)c1 ZINC000443990226 533782605 /nfs/dbraw/zinc/78/26/05/533782605.db2.gz SOZKWXQAUMVLPO-FQEVSTJZSA-N 0 3 323.440 3.268 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCC(=O)NC23CCC3)[C@H]1C ZINC000328679946 533816397 /nfs/dbraw/zinc/81/63/97/533816397.db2.gz BTBRSFZMSONSFB-CBBWQLFWSA-N 0 3 321.465 3.399 20 30 DGEDHN COc1cc(CN2CC[C@H](COc3ccccc3)C2)ccc1C#N ZINC000442841241 533822292 /nfs/dbraw/zinc/82/22/92/533822292.db2.gz NRBHJCDBSFQEFR-KRWDZBQOSA-N 0 3 322.408 3.468 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C(C)(C)C)on1 ZINC000330913524 533825677 /nfs/dbraw/zinc/82/56/77/533825677.db2.gz XNVLPRFIXTZKCM-OLZOCXBDSA-N 0 3 307.438 3.397 20 30 DGEDHN COc1cc(CN2CCc3cccc(OC)c3CC2)ccc1C#N ZINC000443064004 533828817 /nfs/dbraw/zinc/82/88/17/533828817.db2.gz OFPYYTRIACOTNN-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN COc1cc(CNCCCC#N)ccc1OCC(F)(F)F ZINC000344324008 533873032 /nfs/dbraw/zinc/87/30/32/533873032.db2.gz FODRFCQRDLJXBL-UHFFFAOYSA-N 0 3 302.296 3.030 20 30 DGEDHN COc1cc(Cl)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000344732162 533953057 /nfs/dbraw/zinc/95/30/57/533953057.db2.gz RNUIIZQBEKVFPI-CQSZACIVSA-N 0 3 315.760 3.246 20 30 DGEDHN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)C1CCCCC1 ZINC000434861318 534003652 /nfs/dbraw/zinc/00/36/52/534003652.db2.gz MFVZMQMYLCJNER-WFASDCNBSA-N 0 3 317.458 3.283 20 30 DGEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)c(OC)c1 ZINC000442889806 534034809 /nfs/dbraw/zinc/03/48/09/534034809.db2.gz MAJCQJYGDLMJAX-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCCSCC#N ZINC000175409799 534068750 /nfs/dbraw/zinc/06/87/50/534068750.db2.gz NYRMYMDQDBTZPQ-RNODOKPDSA-N 0 3 310.488 3.064 20 30 DGEDHN C[C@@H](c1ccncc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311019 534129384 /nfs/dbraw/zinc/12/93/84/534129384.db2.gz KPCGFJFVGMSKDL-MAUKXSAKSA-N 0 3 307.397 3.374 20 30 DGEDHN C[C@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000413290459 534143160 /nfs/dbraw/zinc/14/31/60/534143160.db2.gz AMGLDKWMYCMFSB-GUYCJALGSA-N 0 3 310.376 3.167 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000330995453 534255165 /nfs/dbraw/zinc/25/51/65/534255165.db2.gz OHSORHGXZOOHLE-KNCCTNLNSA-N 0 3 309.413 3.181 20 30 DGEDHN C=CC[C@H](CO)CNCc1cnc(CCc2ccccc2)s1 ZINC000449209303 534398568 /nfs/dbraw/zinc/39/85/68/534398568.db2.gz UTWKMRIOISJCOZ-INIZCTEOSA-N 0 3 316.470 3.203 20 30 DGEDHN C=C(CC)CNCc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000449735372 534416838 /nfs/dbraw/zinc/41/68/38/534416838.db2.gz TZTLZULTVQXRAJ-UHFFFAOYSA-N 0 3 303.358 3.284 20 30 DGEDHN C=CCc1cc(CN[C@@H]2C[C@@H](OC)C23CCC3)cc(OC)c1O ZINC000459796044 534418643 /nfs/dbraw/zinc/41/86/43/534418643.db2.gz VZBRAUYBAOYBGH-IAGOWNOFSA-N 0 3 317.429 3.177 20 30 DGEDHN C=C(CN(C)C)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000496364367 534426467 /nfs/dbraw/zinc/42/64/67/534426467.db2.gz UIWKMOJXOJCLOT-UHFFFAOYSA-N 0 3 319.405 3.090 20 30 DGEDHN C=CC(C)(C)CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000454845688 534514932 /nfs/dbraw/zinc/51/49/32/534514932.db2.gz WDZIWLYFEXKSIA-UHFFFAOYSA-N 0 3 319.449 3.269 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)cc(Br)c1 ZINC000449546968 534573106 /nfs/dbraw/zinc/57/31/06/534573106.db2.gz GBVKDLSUUOZUMV-KGLIPLIRSA-N 0 3 314.198 3.411 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C)c(Br)s1 ZINC000449521817 534609279 /nfs/dbraw/zinc/60/92/79/534609279.db2.gz SNDDNGSWDFSQIG-MNOVXSKESA-N 0 3 302.237 3.252 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472946931 534685509 /nfs/dbraw/zinc/68/55/09/534685509.db2.gz BFQJNJFWEWWBRI-SJLPKXTDSA-N 0 3 315.461 3.477 20 30 DGEDHN Cc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000430174574 534711670 /nfs/dbraw/zinc/71/16/70/534711670.db2.gz WOMWKBYNQDCDOU-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000349823284 534755628 /nfs/dbraw/zinc/75/56/28/534755628.db2.gz UDGWRQJZROGLGA-DLBZAZTESA-N 0 3 307.397 3.442 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451149043 534823066 /nfs/dbraw/zinc/82/30/66/534823066.db2.gz RSHYHKVHBLTTIL-BFHYXJOUSA-N 0 3 318.383 3.238 20 30 DGEDHN CC(C)(C)OC(=O)NCC1(CNCc2ccc(C#N)s2)CC1 ZINC000496162353 534876859 /nfs/dbraw/zinc/87/68/59/534876859.db2.gz UJYKCBRRGVHMQW-UHFFFAOYSA-N 0 3 321.446 3.014 20 30 DGEDHN C=CCOc1ccc(CN2CCN(C)[C@H](C(C)C)C2)cc1OC ZINC000488539955 534883681 /nfs/dbraw/zinc/88/36/81/534883681.db2.gz VGLMUGSRNOIFIY-KRWDZBQOSA-N 0 3 318.461 3.032 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)c1cccc(CN(C)C)c1 ZINC000353118683 526323811 /nfs/dbraw/zinc/32/38/11/526323811.db2.gz UAILVGVRWGOQGN-UHFFFAOYSA-N 0 3 312.413 3.212 20 30 DGEDHN C=CCN(C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CC1 ZINC000357557765 526330515 /nfs/dbraw/zinc/33/05/15/526330515.db2.gz ZQHSVVGPKWBCCM-CQSZACIVSA-N 0 3 315.335 3.096 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)N(CC)CC ZINC000346010088 526344917 /nfs/dbraw/zinc/34/49/17/526344917.db2.gz PLARZJCVJCYPDQ-SFHVURJKSA-N 0 3 313.445 3.193 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C2CCC(C(C)C)CC2)CC1 ZINC000433335238 526424339 /nfs/dbraw/zinc/42/43/39/526424339.db2.gz KUUUQBGCWBWMLX-UHFFFAOYSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Sc2ccc(C)cc2)CC1 ZINC000357578872 526443942 /nfs/dbraw/zinc/44/39/42/526443942.db2.gz FHTUNSRGJUDWSK-OAHLLOKOSA-N 0 3 318.486 3.242 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(SC3CC3)cc2)CC1 ZINC000341045459 526447458 /nfs/dbraw/zinc/44/74/58/526447458.db2.gz MMNRHOMZIBZUED-UHFFFAOYSA-N 0 3 316.470 3.321 20 30 DGEDHN C=CCN1CCC(N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343871016 526453426 /nfs/dbraw/zinc/45/34/26/526453426.db2.gz YLOYVQPERHAVMZ-JTQLQIEISA-N 0 3 319.396 3.463 20 30 DGEDHN C=CCN1CCC(N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343871018 526454810 /nfs/dbraw/zinc/45/48/10/526454810.db2.gz YLOYVQPERHAVMZ-SNVBAGLBSA-N 0 3 319.396 3.463 20 30 DGEDHN C=C(C)CCN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000429005270 526457167 /nfs/dbraw/zinc/45/71/67/526457167.db2.gz YRMGJNKTAUNHAC-CYBMUJFWSA-N 0 3 302.187 3.177 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000360672966 526491935 /nfs/dbraw/zinc/49/19/35/526491935.db2.gz PUGXRWJCIPTYCF-FUHWJXTLSA-N 0 3 315.461 3.115 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433049455 526521780 /nfs/dbraw/zinc/52/17/80/526521780.db2.gz VACRLCZTBOVBLA-GOSISDBHSA-N 0 3 300.446 3.291 20 30 DGEDHN C=C(C)CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000152683643 526576605 /nfs/dbraw/zinc/57/66/05/526576605.db2.gz BZIJZIMXFCYNTD-UHFFFAOYSA-N 0 3 312.457 3.466 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cc(C)nc2C)CC1 ZINC000331231731 526577512 /nfs/dbraw/zinc/57/75/12/526577512.db2.gz IRUQUDUKPIBZMO-UHFFFAOYSA-N 0 3 316.449 3.373 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCCCC3)O2)cc1 ZINC000181096059 526622501 /nfs/dbraw/zinc/62/25/01/526622501.db2.gz KYDBMAWDMHIZPL-KRWDZBQOSA-N 0 3 300.402 3.114 20 30 DGEDHN C=C(C)COCCN[C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359332537 526655531 /nfs/dbraw/zinc/65/55/31/526655531.db2.gz OTIIRDZCOHSLMG-MRXNPFEDSA-N 0 3 304.390 3.413 20 30 DGEDHN C=C(C)COCCN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000338797703 526657462 /nfs/dbraw/zinc/65/74/62/526657462.db2.gz YDVGKBMBCXBNPE-ROUUACIJSA-N 0 3 317.429 3.351 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000185793308 526667256 /nfs/dbraw/zinc/66/72/56/526667256.db2.gz QTRWWSZCEFBUGW-WMZOPIPTSA-N 0 3 312.457 3.205 20 30 DGEDHN C=CCOCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348057222 526751372 /nfs/dbraw/zinc/75/13/72/526751372.db2.gz STMZGZUFHPLWBI-UHFFFAOYSA-N 0 3 320.389 3.031 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2ccc(OC)cc2s1 ZINC000435742880 526834727 /nfs/dbraw/zinc/83/47/27/526834727.db2.gz XGBDGOILIJSDRN-SJKOYZFVSA-N 0 3 318.442 3.376 20 30 DGEDHN C=C(CC)CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415961330 526858717 /nfs/dbraw/zinc/85/87/17/526858717.db2.gz DAQSBBJGWNNVBY-UHFFFAOYSA-N 0 3 301.312 3.252 20 30 DGEDHN C=CCOc1ccc(CN(C)CC[C@@H]2CCCO2)cc1OC ZINC000343500226 526861491 /nfs/dbraw/zinc/86/14/91/526861491.db2.gz VEPKXLNIFNAKIZ-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H](C)N(CC)C[C@H]2C)cc1OC ZINC000353803708 526872854 /nfs/dbraw/zinc/87/28/54/526872854.db2.gz LNUKGTARVWBGPV-JKSUJKDBSA-N 0 3 318.461 3.175 20 30 DGEDHN C=CCOc1ccc(CN[C@@]2(CCC)CCOC2)cc1OC ZINC000353039092 526888706 /nfs/dbraw/zinc/88/87/06/526888706.db2.gz OOLZSQHZIKZJDQ-SFHVURJKSA-N 0 3 305.418 3.309 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(F)(F)F)c2C)CC1 ZINC000132251653 526932786 /nfs/dbraw/zinc/93/27/86/526932786.db2.gz BEGKOKTUXDHPJN-UHFFFAOYSA-N 0 3 324.346 3.298 20 30 DGEDHN C=CCSCCN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000358015793 527005071 /nfs/dbraw/zinc/00/50/71/527005071.db2.gz GGVBXKQXLUCOCY-GFCCVEGCSA-N 0 3 308.447 3.223 20 30 DGEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(S(=O)(=O)CC)s1 ZINC000355129853 527032937 /nfs/dbraw/zinc/03/29/37/527032937.db2.gz XHIBEVVCYMUHSS-VXGBXAGGSA-N 0 3 301.477 3.232 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000341892234 527083245 /nfs/dbraw/zinc/08/32/45/527083245.db2.gz WOXDCOPJRNMUFP-NWDGAFQWSA-N 0 3 313.825 3.192 20 30 DGEDHN C=CCCC1(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000356164075 527083685 /nfs/dbraw/zinc/08/36/85/527083685.db2.gz ZBLPDIFFZFEMDV-UHFFFAOYSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCC1(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000354583623 527086212 /nfs/dbraw/zinc/08/62/12/527086212.db2.gz JHYWUWAIOMPJRU-UHFFFAOYSA-N 0 3 322.518 3.211 20 30 DGEDHN C=CCCCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280559074 527126142 /nfs/dbraw/zinc/12/61/42/527126142.db2.gz UVOOOBSRCAVMNV-SFHVURJKSA-N 0 3 309.413 3.445 20 30 DGEDHN C#CCOc1ccccc1CNCCc1csc(CC)n1 ZINC000102431746 527127470 /nfs/dbraw/zinc/12/74/70/527127470.db2.gz VHBOEGLSNLKGSX-UHFFFAOYSA-N 0 3 300.427 3.050 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267310168 527133430 /nfs/dbraw/zinc/13/34/30/527133430.db2.gz BXCQIFKTAOCMEG-BQFCYCMXSA-N 0 3 315.461 3.161 20 30 DGEDHN C#CCSCCN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000181097676 527151252 /nfs/dbraw/zinc/15/12/52/527151252.db2.gz OMQOYVXJPZUINV-NSHDSACASA-N 0 3 315.385 3.314 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000359689061 527154699 /nfs/dbraw/zinc/15/46/99/527154699.db2.gz SKWNQNXFJAMTLR-RDJZCZTQSA-N 0 3 303.450 3.161 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341279426 527185439 /nfs/dbraw/zinc/18/54/39/527185439.db2.gz CEIAMKQBOAHFRJ-ZDUSSCGKSA-N 0 3 316.357 3.129 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000346616535 527190193 /nfs/dbraw/zinc/19/01/93/527190193.db2.gz BPFNFSSDMFAOOI-KXBFYZLASA-N 0 3 314.404 3.393 20 30 DGEDHN CC(=O)c1ccc(C#N)c(NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000302094648 527226506 /nfs/dbraw/zinc/22/65/06/527226506.db2.gz IMIFUJNNVBIJDK-IBGZPJMESA-N 0 3 321.424 3.346 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C(=O)NCCCC)cc2)cc1 ZINC000289231419 527438587 /nfs/dbraw/zinc/43/85/87/527438587.db2.gz KFHVSPPHAFXWBR-UHFFFAOYSA-N 0 3 320.436 3.488 20 30 DGEDHN CC(C)(C#N)CCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC000444666238 527459993 /nfs/dbraw/zinc/45/99/93/527459993.db2.gz QXVJDQACWRAZJQ-UHFFFAOYSA-N 0 3 315.461 3.230 20 30 DGEDHN CC(C)(C#N)CCCN1CCN(CCOc2ccccc2)CC1 ZINC000174810432 527463788 /nfs/dbraw/zinc/46/37/88/527463788.db2.gz LSHCZKZNZXPSNL-UHFFFAOYSA-N 0 3 315.461 3.013 20 30 DGEDHN C=CCC[C@H](NC(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000435099312 527478498 /nfs/dbraw/zinc/47/84/98/527478498.db2.gz SYMKTLAKQRHWHO-SFHVURJKSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCC[C@H](NCCc1cccc(C(=O)NC)c1)c1ccco1 ZINC000356099221 527484139 /nfs/dbraw/zinc/48/41/39/527484139.db2.gz XEJHLCXTUGSWBS-KRWDZBQOSA-N 0 3 312.413 3.479 20 30 DGEDHN C=CCC[C@H](O)CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000154481261 527488730 /nfs/dbraw/zinc/48/87/30/527488730.db2.gz SYETZYLSMLETLQ-INIZCTEOSA-N 0 3 322.424 3.192 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000356246045 527575254 /nfs/dbraw/zinc/57/52/54/527575254.db2.gz UVEOZUGRWJLXPH-XLIONFOSSA-N 0 3 312.457 3.291 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000342121352 527605526 /nfs/dbraw/zinc/60/55/26/527605526.db2.gz DRCKVWZPQVTRIX-PMACEKPBSA-N 0 3 314.473 3.318 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(C)C1CCC(C(F)(F)F)CC1 ZINC000344169230 527606409 /nfs/dbraw/zinc/60/64/09/527606409.db2.gz OKURISDTLKYBHN-UHFFFAOYSA-N 0 3 318.383 3.240 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)nsc1C)C(C)C ZINC000340300605 527649482 /nfs/dbraw/zinc/64/94/82/527649482.db2.gz IUWGMPNZZZVSPP-OAHLLOKOSA-N 0 3 321.490 3.188 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ccc(C(C)=O)cn1)C(C)C ZINC000340260446 527651351 /nfs/dbraw/zinc/65/13/51/527651351.db2.gz PCRHSRVSHYFIGB-QGZVFWFLSA-N 0 3 301.434 3.395 20 30 DGEDHN CC(C)[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000444755781 527779792 /nfs/dbraw/zinc/77/97/92/527779792.db2.gz YSLSFHJDBOJQCA-WMZOPIPTSA-N 0 3 311.429 3.032 20 30 DGEDHN CCN(CC(=O)Nc1ccccc1SCC#N)CC(C)C ZINC000173405159 527929564 /nfs/dbraw/zinc/92/95/64/527929564.db2.gz WNSIXSHCSCDRCW-UHFFFAOYSA-N 0 3 305.447 3.219 20 30 DGEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)Cc2ccccc2C1 ZINC000433372642 528028314 /nfs/dbraw/zinc/02/83/14/528028314.db2.gz PHRSPNHNZMMXAQ-IBGZPJMESA-N 0 3 318.420 3.433 20 30 DGEDHN CCCN(CCc1cccs1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000184507554 528115906 /nfs/dbraw/zinc/11/59/06/528115906.db2.gz GTZNHRYMQAUTNM-QGZVFWFLSA-N 0 3 321.490 3.057 20 30 DGEDHN CCC[C@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000180281217 528400430 /nfs/dbraw/zinc/40/04/30/528400430.db2.gz IYKQRQMUDBJMSA-PMACEKPBSA-N 0 3 324.472 3.416 20 30 DGEDHN CCCCNC(=O)C1(NCc2cc(C#N)cs2)CCCCC1 ZINC000154634106 528491237 /nfs/dbraw/zinc/49/12/37/528491237.db2.gz MZHWYZAWQRPXCT-UHFFFAOYSA-N 0 3 319.474 3.329 20 30 DGEDHN CC(C)n1cc(C2=CCCN([C@@H]3CCC[C@@H](C#N)C3)CC2)nn1 ZINC000333627604 528561210 /nfs/dbraw/zinc/56/12/10/528561210.db2.gz ZMPIMGDJLVFKIB-NVXWUHKLSA-N 0 3 313.449 3.421 20 30 DGEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000441637839 528599812 /nfs/dbraw/zinc/59/98/12/528599812.db2.gz WFKYEBJBEAVOGI-QGZVFWFLSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)Cc1ccc([C@H](CNC(=O)CCCC#N)N(C)C)cc1 ZINC000360597860 528657625 /nfs/dbraw/zinc/65/76/25/528657625.db2.gz NKFFUNGGPXMTBM-SFHVURJKSA-N 0 3 315.461 3.298 20 30 DGEDHN CC(C)n1nccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000130161449 528677515 /nfs/dbraw/zinc/67/75/15/528677515.db2.gz AJMKLNCYFZIBOR-LLVKDONJSA-N 0 3 322.290 3.368 20 30 DGEDHN CCCc1nc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)co1 ZINC000330801687 528681456 /nfs/dbraw/zinc/68/14/56/528681456.db2.gz DGSSUCZFUIUXIN-CYBMUJFWSA-N 0 3 307.438 3.442 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000353219087 528695692 /nfs/dbraw/zinc/69/56/92/528695692.db2.gz LXCWLKGOSKGCOK-LZLYRXPVSA-N 0 3 313.445 3.078 20 30 DGEDHN CCOc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433308000 528729461 /nfs/dbraw/zinc/72/94/61/528729461.db2.gz WPURLOVABIFSIG-QGZVFWFLSA-N 0 3 322.408 3.474 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000330994635 528932922 /nfs/dbraw/zinc/93/29/22/528932922.db2.gz UJAPDFCPATYDNX-UHFFFAOYSA-N 0 3 305.378 3.021 20 30 DGEDHN CC(C)N(Cc1cccc(Br)c1)C(=O)C(C)C#N ZINC000344135936 528943817 /nfs/dbraw/zinc/94/38/17/528943817.db2.gz XSWYPTXBCQLANB-NSHDSACASA-N 0 3 309.207 3.346 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000330794405 528959595 /nfs/dbraw/zinc/95/95/95/528959595.db2.gz DLDPBRKBSBGYDZ-UHFFFAOYSA-N 0 3 306.797 3.022 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000330686643 528997259 /nfs/dbraw/zinc/99/72/59/528997259.db2.gz VLUIWTMLKORKCU-CQSZACIVSA-N 0 3 305.378 3.082 20 30 DGEDHN CCC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000181769971 529003609 /nfs/dbraw/zinc/00/36/09/529003609.db2.gz FKVRBPKIDQUHJT-DOTOQJQBSA-N 0 3 301.434 3.126 20 30 DGEDHN CCSCC[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433358956 529194499 /nfs/dbraw/zinc/19/44/99/529194499.db2.gz APLIMOIETACQOI-HOCLYGCPSA-N 0 3 304.459 3.407 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1c(C)nn(CC)c1C ZINC000330775125 529200028 /nfs/dbraw/zinc/20/00/28/529200028.db2.gz YRKDDOGGQYSURV-HNNXBMFYSA-N 0 3 306.454 3.089 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000346515636 529205013 /nfs/dbraw/zinc/20/50/13/529205013.db2.gz BXKCHXSZSVQJBX-IUODEOHRSA-N 0 3 319.836 3.332 20 30 DGEDHN CC[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343931925 529216763 /nfs/dbraw/zinc/21/67/63/529216763.db2.gz PVAWIPDTADAVMX-KRWDZBQOSA-N 0 3 313.445 3.445 20 30 DGEDHN CC[C@@H](O)CN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000441069134 529224494 /nfs/dbraw/zinc/22/44/94/529224494.db2.gz SDVPVGJUKAYNJX-LJQANCHMSA-N 0 3 324.424 3.210 20 30 DGEDHN CC[C@@H](O)CN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000441071329 529224604 /nfs/dbraw/zinc/22/46/04/529224604.db2.gz HRRWCUNVYKHIQY-LJQANCHMSA-N 0 3 324.424 3.210 20 30 DGEDHN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000473070374 534954657 /nfs/dbraw/zinc/95/46/57/534954657.db2.gz DIPSWJYKXJYQLX-GDBMZVCRSA-N 0 3 300.402 3.424 20 30 DGEDHN CC1(C#N)CCC(NCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000451117987 535273210 /nfs/dbraw/zinc/27/32/10/535273210.db2.gz WXKXNVXCQJCAQC-UHFFFAOYSA-N 0 3 305.809 3.341 20 30 DGEDHN CC1(C#N)CCC(NCC(=O)N2CCCc3ccccc32)CC1 ZINC000449098964 535273392 /nfs/dbraw/zinc/27/33/92/535273392.db2.gz LNWASDQIGDVZAF-UHFFFAOYSA-N 0 3 311.429 3.028 20 30 DGEDHN C=CCOc1ccc(CN2C[C@]3(C)COC[C@]3(C)C2)cc1OC ZINC000668516190 547471605 /nfs/dbraw/zinc/47/16/05/547471605.db2.gz OZXOTLZDZQNBGA-KDURUIRLSA-N 0 3 317.429 3.118 20 30 DGEDHN COCC#CCN(Cc1cccs1)C1Cc2ccccc2C1 ZINC000671246892 547782010 /nfs/dbraw/zinc/78/20/10/547782010.db2.gz RZRCMKWTZFWMNL-UHFFFAOYSA-N 0 3 311.450 3.367 20 30 DGEDHN C=CCOc1cccc(NC(=O)N[C@@H](CC)CN2CCCC2)c1 ZINC000674408261 548076114 /nfs/dbraw/zinc/07/61/14/548076114.db2.gz CZLIAXOPVMNELY-HNNXBMFYSA-N 0 3 317.433 3.247 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H](CC)CN1CCCC1 ZINC000675193448 548170726 /nfs/dbraw/zinc/17/07/26/548170726.db2.gz HPYWKTKPRBUVNP-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccco3)s2)CC1 ZINC000675785461 548270917 /nfs/dbraw/zinc/27/09/17/548270917.db2.gz GKPYXZUVFGUEEW-UHFFFAOYSA-N 0 3 316.426 3.388 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C)nc1)C(C)C ZINC000676266203 548338721 /nfs/dbraw/zinc/33/87/21/548338721.db2.gz IHOBCGJENKVYHG-QGZVFWFLSA-N 0 3 316.449 3.210 20 30 DGEDHN C=CCOc1ccccc1CN(CCO)CCc1ccccc1 ZINC000678267211 548662058 /nfs/dbraw/zinc/66/20/58/548662058.db2.gz DTBKZQSMIYIYMW-UHFFFAOYSA-N 0 3 311.425 3.288 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000678638236 548745179 /nfs/dbraw/zinc/74/51/79/548745179.db2.gz HOAOBOXXLJMUIR-ROUUACIJSA-N 0 3 301.405 3.316 20 30 DGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000678742980 548755863 /nfs/dbraw/zinc/75/58/63/548755863.db2.gz BJDZGSNHIYPQCL-LSDHHAIUSA-N 0 3 305.418 3.173 20 30 DGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678743273 548756004 /nfs/dbraw/zinc/75/60/04/548756004.db2.gz CNOXYOSJHWFZFQ-KXBFYZLASA-N 0 3 312.413 3.248 20 30 DGEDHN COc1nc(C)ccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000679091348 548828756 /nfs/dbraw/zinc/82/87/56/548828756.db2.gz UVRUFFOIXGEFIC-OAHLLOKOSA-N 0 3 317.348 3.437 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](CO)NCC#Cc1ccccc1Cl ZINC000680995261 549142527 /nfs/dbraw/zinc/14/25/27/549142527.db2.gz VABQQLTXMKXCNZ-BEFAXECRSA-N 0 3 313.828 3.446 20 30 DGEDHN C=CCC[C@H](O)CN1CCCN(c2ccccc2Cl)CC1 ZINC000685415697 549755359 /nfs/dbraw/zinc/75/53/59/549755359.db2.gz JBFQQQDDWRRARB-HNNXBMFYSA-N 0 3 308.853 3.179 20 30 DGEDHN C=CCC[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1 ZINC000685415704 549755611 /nfs/dbraw/zinc/75/56/11/549755611.db2.gz JBFQQQDDWRRARB-OAHLLOKOSA-N 0 3 308.853 3.179 20 30 DGEDHN CCO[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417222 574528811 /nfs/dbraw/zinc/52/88/11/574528811.db2.gz NLZRHOQXAPNKOZ-CKYFFXLPSA-N 0 3 304.346 3.037 20 30 DGEDHN C#CCOc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC000731012501 574541683 /nfs/dbraw/zinc/54/16/83/574541683.db2.gz NHKARDSOMBTHDH-GOSISDBHSA-N 0 3 314.429 3.148 20 30 DGEDHN CC[C@H](C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732205289 574568079 /nfs/dbraw/zinc/56/80/79/574568079.db2.gz FCAHUAQTGZCDJE-QWHCGFSZSA-N 0 3 315.442 3.450 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707603 574579341 /nfs/dbraw/zinc/57/93/41/574579341.db2.gz BBXDCLGGCCOOJE-SBSDFTTDSA-N 0 3 306.365 3.394 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1CCSCC1 ZINC000733054056 574593620 /nfs/dbraw/zinc/59/36/20/574593620.db2.gz WUTHVASKMQDWQP-LLVKDONJSA-N 0 3 322.817 3.131 20 30 DGEDHN C#CCCOc1ccc(CNCCn2cnc3ccccc32)cc1 ZINC000733325542 574615674 /nfs/dbraw/zinc/61/56/74/574615674.db2.gz JAYAWCCWLDLSFH-UHFFFAOYSA-N 0 3 319.408 3.228 20 30 DGEDHN C#CCOc1ccc(CNCCOc2cc(C)cc(C)c2)cc1 ZINC000733325867 574615937 /nfs/dbraw/zinc/61/59/37/574615937.db2.gz ZZZCSKBCJIATPS-UHFFFAOYSA-N 0 3 309.409 3.484 20 30 DGEDHN C=C(C)CNC(=S)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000734762698 574674426 /nfs/dbraw/zinc/67/44/26/574674426.db2.gz IAWHIEROHWVDSX-OAHLLOKOSA-N 0 3 317.502 3.252 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000735206795 574692396 /nfs/dbraw/zinc/69/23/96/574692396.db2.gz NIIZFYPDYZYCJB-FJOGCWAESA-N 0 3 320.776 3.352 20 30 DGEDHN C=CCCCOC(=O)C1CCN(c2cc(C)cc(C)c2)C1=O ZINC000735531817 574705376 /nfs/dbraw/zinc/70/53/76/574705376.db2.gz FMGQFDLKBMIARR-MRXNPFEDSA-N 0 3 301.386 3.166 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000736287243 574739947 /nfs/dbraw/zinc/73/99/47/574739947.db2.gz YFGPIIKXGRIBMJ-MRXNPFEDSA-N 0 3 319.836 3.267 20 30 DGEDHN CCCCCCCCN1CCC(NS(=O)(=O)CCC)CC1 ZINC000740874892 574944435 /nfs/dbraw/zinc/94/44/35/574944435.db2.gz PFPFXJKZFONGES-UHFFFAOYSA-N 0 3 318.527 3.141 20 30 DGEDHN CCCCCCCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000740877225 574944941 /nfs/dbraw/zinc/94/49/41/574944941.db2.gz HCVFGYDNFCOGLP-ZDUSSCGKSA-N 0 3 308.388 3.442 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2c(C)cccc2C)[C@@H](C)C1 ZINC000741453843 574958356 /nfs/dbraw/zinc/95/83/56/574958356.db2.gz WZLGQLQHJJTXAD-AWEZNQCLSA-N 0 3 318.490 3.308 20 30 DGEDHN C[C@H]1CC(=NNCc2ccc(Br)cc2)CCN1C ZINC000741463606 574958576 /nfs/dbraw/zinc/95/85/76/574958576.db2.gz HMWPOFFBVCQWIP-NSHDSACASA-N 0 3 310.239 3.009 20 30 DGEDHN COc1ccc(CNCCCOc2cccc(C)c2)cc1C#N ZINC000742366388 574992609 /nfs/dbraw/zinc/99/26/09/574992609.db2.gz BZJMQBDZLNVSLI-UHFFFAOYSA-N 0 3 310.397 3.434 20 30 DGEDHN N#Cc1cccc(Cl)c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000742392331 574996275 /nfs/dbraw/zinc/99/62/75/574996275.db2.gz IAKWQHDCWLMZLU-HNNXBMFYSA-N 0 3 319.836 3.267 20 30 DGEDHN C#CCCCN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000743485693 575054178 /nfs/dbraw/zinc/05/41/78/575054178.db2.gz SGZIQUIKXTWJMT-IBGZPJMESA-N 0 3 322.408 3.378 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnc2ccsc2c1 ZINC000744028408 575069116 /nfs/dbraw/zinc/06/91/16/575069116.db2.gz HZIUJEDMWOWGDH-ZDUSSCGKSA-N 0 3 321.361 3.257 20 30 DGEDHN CCC/C(C)=C\C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000744093584 575071970 /nfs/dbraw/zinc/07/19/70/575071970.db2.gz VMAJGXPTDONWOK-VBKFSLOCSA-N 0 3 313.445 3.195 20 30 DGEDHN C#CCN(C[C@@H](O)COc1cc(C)ccc1C)C1CCCCC1 ZINC000744211280 575078634 /nfs/dbraw/zinc/07/86/34/575078634.db2.gz JRQFFLCPDMNNFR-LJQANCHMSA-N 0 3 315.457 3.311 20 30 DGEDHN C(=NNCCCc1ccccc1)c1ccccc1N1CCOCC1 ZINC000729146462 575219929 /nfs/dbraw/zinc/21/99/29/575219929.db2.gz YFQPQCRPUXCDLH-UHFFFAOYSA-N 0 3 323.440 3.080 20 30 DGEDHN N#Cc1cc(Cl)ccc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000729182357 575222841 /nfs/dbraw/zinc/22/28/41/575222841.db2.gz JSRXPDVBDPMKLL-INIZCTEOSA-N 0 3 319.836 3.267 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2cc(C)c(C)cc2C)CC1 ZINC000729977524 575268731 /nfs/dbraw/zinc/26/87/31/575268731.db2.gz TYHHGZMHEIUUOC-VOTSOKGWSA-N 0 3 312.457 3.392 20 30 DGEDHN CC#CCOC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000744993837 575368670 /nfs/dbraw/zinc/36/86/70/575368670.db2.gz NRAZNRMCOXMQQZ-MRXNPFEDSA-N 0 3 315.413 3.120 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCc2ccc(C)o2)cc1 ZINC000747107459 575496487 /nfs/dbraw/zinc/49/64/87/575496487.db2.gz DFKFAIQGQITOBG-KRWDZBQOSA-N 0 3 324.380 3.431 20 30 DGEDHN Cc1cc(C)n(CCC(=O)C(C#N)c2nc(C(C)C)cs2)n1 ZINC000747194113 575505105 /nfs/dbraw/zinc/50/51/05/575505105.db2.gz STIKLKFWMXBQQY-CYBMUJFWSA-N 0 3 316.430 3.346 20 30 DGEDHN CCCN(CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747527534 575522812 /nfs/dbraw/zinc/52/28/12/575522812.db2.gz FBSVTSBBVQZARG-UHFFFAOYSA-N 0 3 301.434 3.282 20 30 DGEDHN COc1ccc(CNN=Cc2ccc3c(c2)CCCN3C)cc1 ZINC000748034888 575557552 /nfs/dbraw/zinc/55/75/52/575557552.db2.gz VLLTWCPVCAFLNA-UHFFFAOYSA-N 0 3 309.413 3.201 20 30 DGEDHN CCN(CC)CC#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000748905395 575614128 /nfs/dbraw/zinc/61/41/28/575614128.db2.gz IGJVFVGMIRXXBT-HRCADAONSA-N 0 3 319.470 3.437 20 30 DGEDHN Cc1cc(C#N)ccc1C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000749223402 575636319 /nfs/dbraw/zinc/63/63/19/575636319.db2.gz NXZOCZSVBDZQBT-UHFFFAOYSA-N 0 3 321.424 3.201 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750259893 575714431 /nfs/dbraw/zinc/71/44/31/575714431.db2.gz AGWUHPKUYBUYNZ-ZIAGYGMSSA-N 0 3 320.820 3.101 20 30 DGEDHN CCc1cc(NCCNc2ccc(C#N)cn2)c2ccccc2n1 ZINC000751862980 575808046 /nfs/dbraw/zinc/80/80/46/575808046.db2.gz YQLFFPYRZPZTRQ-UHFFFAOYSA-N 0 3 317.396 3.010 20 30 DGEDHN CCCN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000725798610 575915814 /nfs/dbraw/zinc/91/58/14/575915814.db2.gz ZKHNMRHZUGRECU-LBPRGKRZSA-N 0 3 301.415 3.204 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000726971734 576089644 /nfs/dbraw/zinc/08/96/44/576089644.db2.gz PRGOFUZXPGJUDI-GFCCVEGCSA-N 0 3 315.442 3.450 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000728715097 576196656 /nfs/dbraw/zinc/19/66/56/576196656.db2.gz HLWGFDMACPCFDP-CQSZACIVSA-N 0 3 308.381 3.202 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852783640 620648391 /nfs/dbraw/zinc/64/83/91/620648391.db2.gz RXKVNNLQSVAQQX-OAHLLOKOSA-N 0 3 316.445 3.087 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852847868 620652262 /nfs/dbraw/zinc/65/22/62/620652262.db2.gz WBRQWEAMQRLEKO-UKRRQHHQSA-N 0 3 321.852 3.248 20 30 DGEDHN C=CCC1(NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CCCC1 ZINC000852912859 620655269 /nfs/dbraw/zinc/65/52/69/620655269.db2.gz QQZVWEVFFQEVAG-CQSZACIVSA-N 0 3 321.852 3.438 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000917116978 620657126 /nfs/dbraw/zinc/65/71/26/620657126.db2.gz CLFFLTXBZZMBHL-WOJBJXKFSA-N 0 3 309.384 3.482 20 30 DGEDHN OC1CCN(c2ccc(C=NOCc3ccccc3)cc2)CC1 ZINC000853287126 620684030 /nfs/dbraw/zinc/68/40/30/620684030.db2.gz QPPHXULTKHCMAN-UHFFFAOYSA-N 0 3 310.397 3.198 20 30 DGEDHN Cc1cccc(CNN=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853318923 620686368 /nfs/dbraw/zinc/68/63/68/620686368.db2.gz YDCXIKJTGRTURH-UHFFFAOYSA-N 0 3 323.440 3.080 20 30 DGEDHN O=[N+]([O-])c1ccc(N=NC2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000853396226 620692316 /nfs/dbraw/zinc/69/23/16/620692316.db2.gz AYDLBXNTUQXHEJ-HNNXBMFYSA-N 0 3 306.341 3.150 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000853598900 620714019 /nfs/dbraw/zinc/71/40/19/620714019.db2.gz YCCQNBQWQQOITE-GBESFXJTSA-N 0 3 310.441 3.451 20 30 DGEDHN C#CCN(C[C@@H](O)COc1ccccc1)[C@H]1CCc2ccccc21 ZINC000918739381 620723543 /nfs/dbraw/zinc/72/35/43/620723543.db2.gz NLNOGUUWVWATDA-NQIIRXRSSA-N 0 3 321.420 3.049 20 30 DGEDHN Cc1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000853718853 620728774 /nfs/dbraw/zinc/72/87/74/620728774.db2.gz FKXCHKKTKNESTL-UHFFFAOYSA-N 0 3 310.397 3.382 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1sc(C)cc1Br ZINC000858333744 617605866 /nfs/dbraw/zinc/60/58/66/617605866.db2.gz AAKIYSITZVHVOX-NSHDSACASA-N 0 3 316.264 3.337 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000891528830 617827940 /nfs/dbraw/zinc/82/79/40/617827940.db2.gz LRZFERLWGWEZEI-UHFFFAOYSA-N 0 3 306.475 3.385 20 30 DGEDHN C=CCN(CCc1ccccc1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891806429 617903931 /nfs/dbraw/zinc/90/39/31/617903931.db2.gz BHTNTKHYMPKGKZ-QZTJIDSGSA-N 0 3 319.420 3.351 20 30 DGEDHN CCN(CC)[C@H](CNc1ccc(C#N)cc1CO)c1ccco1 ZINC000892075162 617957107 /nfs/dbraw/zinc/95/71/07/617957107.db2.gz LIYUZPSOYNQZIM-QGZVFWFLSA-N 0 3 313.401 3.139 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892419633 618061986 /nfs/dbraw/zinc/06/19/86/618061986.db2.gz GHQDGXZYNBYJMZ-KBPBESRZSA-N 0 3 323.396 3.099 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCOC2(CCC2)C1)c1nc2ccccc2[nH]1 ZINC000892419855 618062067 /nfs/dbraw/zinc/06/20/67/618062067.db2.gz IUGQMKNURGVFHP-OLZOCXBDSA-N 0 3 309.369 3.088 20 30 DGEDHN C#CCN(CC)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000920095203 620782852 /nfs/dbraw/zinc/78/28/52/620782852.db2.gz LLNIQBGHYROBPC-IBGZPJMESA-N 0 3 309.409 3.048 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(CC(F)(F)F)s1 ZINC000894738044 618443761 /nfs/dbraw/zinc/44/37/61/618443761.db2.gz JGQCGDLNIPRQIE-MNOVXSKESA-N 0 3 306.353 3.071 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000925649179 618520141 /nfs/dbraw/zinc/52/01/41/618520141.db2.gz BQRCVDZVJVWQCX-DZGCQCFKSA-N 0 3 317.408 3.239 20 30 DGEDHN COC(=O)c1ccc(CNCc2ccc(CC#N)cc2)cc1C ZINC000895091649 618535789 /nfs/dbraw/zinc/53/57/89/618535789.db2.gz XRHQPLBKMBHQPF-UHFFFAOYSA-N 0 3 308.381 3.138 20 30 DGEDHN CC[C@H](CC#N)NC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000893605125 618614564 /nfs/dbraw/zinc/61/45/64/618614564.db2.gz COJJQTZWCNBTCZ-CQSZACIVSA-N 0 3 321.465 3.448 20 30 DGEDHN C[C@@]1(Br)C[C@@H]1CN1CCc2c(CC#N)cccc2C1 ZINC000895667446 618815601 /nfs/dbraw/zinc/81/56/01/618815601.db2.gz NZIRLJWCVPWSJF-GDBMZVCRSA-N 0 3 319.246 3.284 20 30 DGEDHN C[C@]1(Br)C[C@@H]1CN1CCc2c(CC#N)cccc2C1 ZINC000895667449 618815648 /nfs/dbraw/zinc/81/56/48/618815648.db2.gz NZIRLJWCVPWSJF-ZBFHGGJFSA-N 0 3 319.246 3.284 20 30 DGEDHN C=CCC1(O)CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000895835137 618839654 /nfs/dbraw/zinc/83/96/54/618839654.db2.gz AFPKOMQNBVYUTM-UHFFFAOYSA-N 0 3 301.386 3.344 20 30 DGEDHN C=CCc1cc(CN2C[C@@H](OC)CC[C@@H]2C)cc(OC)c1O ZINC000895926641 618849648 /nfs/dbraw/zinc/84/96/48/618849648.db2.gz IZTCDIUGJKIVHM-BBRMVZONSA-N 0 3 305.418 3.129 20 30 DGEDHN COC1(OC)CC2(CN(Cc3ccc(C#N)cc3)[C@@H]2C(C)C)C1 ZINC000895994701 618860100 /nfs/dbraw/zinc/86/01/00/618860100.db2.gz GLWLLHSCZFZPRQ-QGZVFWFLSA-N 0 3 314.429 3.168 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000897035469 619004667 /nfs/dbraw/zinc/00/46/67/619004667.db2.gz SVZKLJWNQXXACF-UHFFFAOYSA-N 0 3 313.441 3.216 20 30 DGEDHN N#Cc1c(F)cccc1CNCC[C@H]1OCCc2ccccc21 ZINC000897235150 619034017 /nfs/dbraw/zinc/03/40/17/619034017.db2.gz WOCUAGKDXGDHNB-LJQANCHMSA-N 0 3 310.372 3.491 20 30 DGEDHN N#Cc1csc(CN[C@H]2CCC[C@H](C3CCOCC3)C2)n1 ZINC000897625546 619168767 /nfs/dbraw/zinc/16/87/67/619168767.db2.gz FDDPAGYYMRWAOQ-KBPBESRZSA-N 0 3 305.447 3.090 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000897698327 619173384 /nfs/dbraw/zinc/17/33/84/619173384.db2.gz VRFGRWZZINOMNC-SFHVURJKSA-N 0 3 316.445 3.161 20 30 DGEDHN C=CCOc1ccc(CN[C@@]23CCC[C@]2(OCC)OCC3)cc1 ZINC000897978077 619202582 /nfs/dbraw/zinc/20/25/82/619202582.db2.gz LLJSKXGAUOXVTR-MOPGFXCFSA-N 0 3 317.429 3.417 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CC(Cc3ccoc3)C2)cc1 ZINC000898162961 619219184 /nfs/dbraw/zinc/21/91/84/619219184.db2.gz ZGBCSAIDAIRVMK-UHFFFAOYSA-N 0 3 309.413 3.304 20 30 DGEDHN COC1(CNCc2cc(C#N)cnc2Cl)CCCCCC1 ZINC000898262061 619230152 /nfs/dbraw/zinc/23/01/52/619230152.db2.gz XDZZATFHIDOBDD-UHFFFAOYSA-N 0 3 307.825 3.436 20 30 DGEDHN C[C@@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(C#N)cc1F ZINC000926964332 619253245 /nfs/dbraw/zinc/25/32/45/619253245.db2.gz RIFBIAICYMWUHS-QMTHXVAHSA-N 0 3 317.330 3.231 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(OCC(F)(F)F)c1 ZINC000924661501 619254543 /nfs/dbraw/zinc/25/45/43/619254543.db2.gz BXUXEAAGXCJWCR-NSHDSACASA-N 0 3 315.339 3.441 20 30 DGEDHN C#CCCCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900835352 619456835 /nfs/dbraw/zinc/45/68/35/619456835.db2.gz INRJWABUNYIMOA-UHFFFAOYSA-N 0 3 320.436 3.285 20 30 DGEDHN C[C@@H]1C[C@@H](NN=C2CCCC[C@H]2N2CCCCC2)C[C@H](C)O1 ZINC000901309397 619483820 /nfs/dbraw/zinc/48/38/20/619483820.db2.gz AAYJASOALUESHS-KYHPRHEASA-N 0 3 307.482 3.317 20 30 DGEDHN C[C@@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1cc(C#N)ccn1 ZINC000902757802 619671143 /nfs/dbraw/zinc/67/11/43/619671143.db2.gz YSWDNAMQYAXHQY-FZKQIMNGSA-N 0 3 312.392 3.046 20 30 DGEDHN C[C@@H](NCCOc1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902770820 619673246 /nfs/dbraw/zinc/67/32/46/619673246.db2.gz VJTKZBQNPBWQQV-GFCCVEGCSA-N 0 3 301.777 3.336 20 30 DGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)N1CCc2ccccc2C1 ZINC000902770551 619673387 /nfs/dbraw/zinc/67/33/87/619673387.db2.gz PWTGMVVIOPUPLK-CVEARBPZSA-N 0 3 320.440 3.051 20 30 DGEDHN C[C@H](NCC1([C@H](O)c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902886951 619688599 /nfs/dbraw/zinc/68/85/99/619688599.db2.gz XLGNZBSMZWWHRB-KBXCAEBGSA-N 0 3 307.397 3.118 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)c1ccccc1 ZINC000902976338 619698384 /nfs/dbraw/zinc/69/83/84/619698384.db2.gz PCNOJTFPINYCGT-ZOCIIQOWSA-N 0 3 309.413 3.362 20 30 DGEDHN CC[C@H](N[C@@H](CC(=O)NC)c1ccccc1)c1cccc(C#N)c1 ZINC000902980271 619699275 /nfs/dbraw/zinc/69/92/75/619699275.db2.gz YWBGTJXKGRQISH-OALUTQOASA-N 0 3 321.424 3.476 20 30 DGEDHN C#CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CCN(C)CC1 ZINC000902986379 619699645 /nfs/dbraw/zinc/69/96/45/619699645.db2.gz YCYBEZBPSTUWCH-UHFFFAOYSA-N 0 3 323.799 3.040 20 30 DGEDHN CC[C@@H](NCC(C)(C)C#N)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000903101589 619716737 /nfs/dbraw/zinc/71/67/37/619716737.db2.gz JLUNTPVTVZIMAM-ZIAGYGMSSA-N 0 3 309.454 3.304 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2cc(N(C)C)ccn2)cc1 ZINC000903201239 619735303 /nfs/dbraw/zinc/73/53/03/619735303.db2.gz GQZMXVXOIPYWEB-OAHLLOKOSA-N 0 3 309.413 3.010 20 30 DGEDHN N#C[C@H]1CC[C@H](NC2CN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000903345148 619760906 /nfs/dbraw/zinc/76/09/06/619760906.db2.gz DBMQWXFICWIGRD-AAEUAGOBSA-N 0 3 309.335 3.176 20 30 DGEDHN Oc1ccc(Cl)cc1/C=N\[C@@H]1CCCN2CCSC[C@@H]12 ZINC000905004038 619964450 /nfs/dbraw/zinc/96/44/50/619964450.db2.gz ZKZVAHRSOWWCTQ-ATEAVEDXSA-N 0 3 310.850 3.044 20 30 DGEDHN CC1/C(=C/c2ccc(OCC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905079882 619968097 /nfs/dbraw/zinc/96/80/97/619968097.db2.gz GNJWIFFFSLNGIZ-TXEUWIOXSA-N 0 3 323.274 3.060 20 30 DGEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C(C)(C)C ZINC000905083843 619968687 /nfs/dbraw/zinc/96/86/87/619968687.db2.gz GJAYGSIBPQQGPZ-JYVXZMADSA-N 0 3 311.385 3.425 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906450418 620098985 /nfs/dbraw/zinc/09/89/85/620098985.db2.gz LKWCYJSGEJUCLW-RJYAGPCLSA-N 0 3 317.477 3.039 20 30 DGEDHN C[C@@H](NC(=O)c1ccsc1C#N)[C@H](c1ccccc1)N(C)C ZINC000907445185 620157874 /nfs/dbraw/zinc/15/78/74/620157874.db2.gz AWBRCBWCCHASDP-MLGOLLRUSA-N 0 3 313.426 3.041 20 30 DGEDHN CC(C)(CCC#N)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908215493 620194309 /nfs/dbraw/zinc/19/43/09/620194309.db2.gz YQTNBQQYIQQVNC-UHFFFAOYSA-N 0 3 312.417 3.351 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573652 620211710 /nfs/dbraw/zinc/21/17/10/620211710.db2.gz SUDNFYPZZXOCGR-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(OC)ccc1N ZINC000911661779 620339383 /nfs/dbraw/zinc/33/93/83/620339383.db2.gz BIQDYRAFOHIUPJ-HNNXBMFYSA-N 0 3 307.438 3.294 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(OC)c(N)c1 ZINC000911662817 620339954 /nfs/dbraw/zinc/33/99/54/620339954.db2.gz LRIZEEXCEQEKSJ-CQSZACIVSA-N 0 3 307.438 3.294 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000911989091 620357662 /nfs/dbraw/zinc/35/76/62/620357662.db2.gz DJNUDPOCUKUIAJ-CYBMUJFWSA-N 0 3 300.324 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000912065470 620361443 /nfs/dbraw/zinc/36/14/43/620361443.db2.gz OMGHOZGDBXFNKA-DLBZAZTESA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1ccc(Cl)s1 ZINC000912066972 620361705 /nfs/dbraw/zinc/36/17/05/620361705.db2.gz XWFUQOPTVQWJDL-LBPRGKRZSA-N 0 3 300.855 3.434 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000912189249 620373503 /nfs/dbraw/zinc/37/35/03/620373503.db2.gz RUVIZFROOHOKQX-NSHDSACASA-N 0 3 316.323 3.250 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1c(F)cccc1F ZINC000153200666 620540054 /nfs/dbraw/zinc/54/00/54/620540054.db2.gz OAZBVEINHNIUHX-NEPJUHHUSA-N 0 3 322.355 3.084 20 30 DGEDHN CN(C)c1ccc(/C=C/C=NN[C@H]2CCOC(C)(C)C2)cc1 ZINC000834971183 620546118 /nfs/dbraw/zinc/54/61/18/620546118.db2.gz BCLDQZNFLOYLRU-DTHQUBQWSA-N 0 3 301.434 3.299 20 30 DGEDHN C[C@@H]1CCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000914771626 620553127 /nfs/dbraw/zinc/55/31/27/620553127.db2.gz GVGGQAJHFOXEFS-HIFRSBDPSA-N 0 3 320.396 3.098 20 30 DGEDHN CCOc1ccc(/C=N/[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000920945456 620829036 /nfs/dbraw/zinc/82/90/36/620829036.db2.gz ZRRKXJVNDLAHKU-LANLRWRYSA-N 0 3 324.424 3.484 20 30 DGEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1OC ZINC000921473098 620859501 /nfs/dbraw/zinc/85/95/01/620859501.db2.gz CZHLGBLEIMDDAA-UHFFFAOYSA-N 0 3 310.397 3.482 20 30 DGEDHN CCNC(=O)c1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921534732 620904169 /nfs/dbraw/zinc/90/41/69/620904169.db2.gz OMMHTOYLKAOXTG-UHFFFAOYSA-N 0 3 321.424 3.215 20 30 DGEDHN COCCOc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921547799 620906598 /nfs/dbraw/zinc/90/65/98/620906598.db2.gz NVHTYBSYQHXGJI-UHFFFAOYSA-N 0 3 324.424 3.490 20 30 DGEDHN N#C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)C1CCCC1 ZINC000921561225 620909612 /nfs/dbraw/zinc/90/96/12/620909612.db2.gz VRIYKHIHZLFRIU-MRXNPFEDSA-N 0 3 310.401 3.103 20 30 DGEDHN C#CCN(C(=O)NCCCCCCCC)C1CCN(C)CC1 ZINC000921641342 620923249 /nfs/dbraw/zinc/92/32/49/620923249.db2.gz WZURCOOJJCPLEE-UHFFFAOYSA-N 0 3 307.482 3.086 20 30 DGEDHN N#CCOc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921694593 620935936 /nfs/dbraw/zinc/93/59/36/620935936.db2.gz VGSNTVMISUPJJW-UHFFFAOYSA-N 0 3 308.381 3.204 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H](CNCc1csc(C#N)c1)C1CC1 ZINC000921944884 620971822 /nfs/dbraw/zinc/97/18/22/620971822.db2.gz KJSPGHDZNDUZDV-AWEZNQCLSA-N 0 3 321.446 3.013 20 30 DGEDHN C#CCN(C(=O)NCC1(CC)CCCCC1)C1CCN(C)CC1 ZINC000921977108 620976500 /nfs/dbraw/zinc/97/65/00/620976500.db2.gz DTHNAXXFRBOOAL-UHFFFAOYSA-N 0 3 319.493 3.086 20 30 DGEDHN COCC1(NCc2cc(C#N)ccc2Br)CCCC1 ZINC000922235535 621010489 /nfs/dbraw/zinc/01/04/89/621010489.db2.gz GARFCBUGZSUNEJ-UHFFFAOYSA-N 0 3 323.234 3.370 20 30 DGEDHN C#CCC1(NCc2cccc(C)c2Br)CCOCC1 ZINC000922347743 621027732 /nfs/dbraw/zinc/02/77/32/621027732.db2.gz YVYIOSJJFDBGIJ-UHFFFAOYSA-N 0 3 322.246 3.420 20 30 DGEDHN Cn1cc(CNC(C)(C)Cc2ccc(C#N)cc2)c(Cl)n1 ZINC000922602651 621065386 /nfs/dbraw/zinc/06/53/86/621065386.db2.gz CMJOPGXEWWLKSZ-UHFFFAOYSA-N 0 3 302.809 3.056 20 30 DGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCc3ccccc3C2)n1 ZINC000789328915 625461400 /nfs/dbraw/zinc/46/14/00/625461400.db2.gz CSEIXRYQWCHZAL-QGZVFWFLSA-N 0 3 307.441 3.143 20 30 DGEDHN COc1cc(C)c(CNCc2ccc(C)c(C#N)c2)cc1OC ZINC000922758496 621095276 /nfs/dbraw/zinc/09/52/76/621095276.db2.gz DBMZUBGAJWESOH-UHFFFAOYSA-N 0 3 310.397 3.482 20 30 DGEDHN CC(C)[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cnn(C)c1 ZINC000922891747 621116271 /nfs/dbraw/zinc/11/62/71/621116271.db2.gz YHGPCMQLJLLMIF-SFHVURJKSA-N 0 3 308.429 3.462 20 30 DGEDHN N#Cc1ccc(CNC[C@]2(c3ccccc3)CCCO2)c(F)c1 ZINC000922960110 621136818 /nfs/dbraw/zinc/13/68/18/621136818.db2.gz KNJWFDLTVMBWHY-IBGZPJMESA-N 0 3 310.372 3.493 20 30 DGEDHN C#CCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCC1 ZINC000922999391 621145527 /nfs/dbraw/zinc/14/55/27/621145527.db2.gz BQLQKOVYCXLDOJ-UHFFFAOYSA-N 0 3 324.218 3.199 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858015587 621145676 /nfs/dbraw/zinc/14/56/76/621145676.db2.gz YBKWLCVBNOBIFZ-IBGZPJMESA-N 0 3 319.408 3.484 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN(Cc3ccc(C#N)cc3C)C2)nc1 ZINC000858042208 621147668 /nfs/dbraw/zinc/14/76/68/621147668.db2.gz XTDVTVIXCWZWBN-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN C#CCOc1ccc(CN[C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858341923 621178602 /nfs/dbraw/zinc/17/86/02/621178602.db2.gz HYWMQPHWOOZJHR-FQEVSTJZSA-N 0 3 322.408 3.343 20 30 DGEDHN N#Cc1sc(NC[C@H]2CCN2C2CCCCC2)nc1Cl ZINC000858681963 621214523 /nfs/dbraw/zinc/21/45/23/621214523.db2.gz ILPHHQSUHUEQGZ-LLVKDONJSA-N 0 3 310.854 3.487 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000838186733 621221722 /nfs/dbraw/zinc/22/17/22/621221722.db2.gz VKABBTCTWNHLMN-UHFFFAOYSA-N 0 3 306.475 3.222 20 30 DGEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000116593537 621255517 /nfs/dbraw/zinc/25/55/17/621255517.db2.gz IJBBPAGBMYNDAR-ZBFHGGJFSA-N 0 3 321.380 3.231 20 30 DGEDHN C=CC[C@@H]1CCN(C[C@H](O)c2ccccc2Br)C1 ZINC000859446441 621278490 /nfs/dbraw/zinc/27/84/90/621278490.db2.gz ZYSSWNWROCBNSQ-DOMZBBRYSA-N 0 3 310.235 3.381 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(F)(F)F)c1 ZINC000838786295 621280406 /nfs/dbraw/zinc/28/04/06/621280406.db2.gz HGIJEERGANNUCQ-ZYHUDNBSSA-N 0 3 312.291 3.231 20 30 DGEDHN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCC#N ZINC000859479717 621282201 /nfs/dbraw/zinc/28/22/01/621282201.db2.gz PFVZCVPCUJHWJN-OAHLLOKOSA-N 0 3 309.454 3.258 20 30 DGEDHN COc1cc(CNCC(C)(C)CC#N)ccc1OC(=O)C1CC1 ZINC000839163368 621349447 /nfs/dbraw/zinc/34/94/47/621349447.db2.gz LNOHENUENAFDME-UHFFFAOYSA-N 0 3 316.401 3.040 20 30 DGEDHN Cc1ccc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1C#N ZINC000860101699 621365931 /nfs/dbraw/zinc/36/59/31/621365931.db2.gz ZZDQZJVJNUQJPP-AWEZNQCLSA-N 0 3 317.433 3.212 20 30 DGEDHN N#CCc1cccc2c1CCN(CC[C@H](O)c1ccccc1)C2 ZINC000860109168 621367541 /nfs/dbraw/zinc/36/75/41/621367541.db2.gz OBKGXXYMSKDLIU-FQEVSTJZSA-N 0 3 306.409 3.234 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000860463858 621407955 /nfs/dbraw/zinc/40/79/55/621407955.db2.gz IUDXBVYPNCSLNP-GVDBMIGSSA-N 0 3 312.413 3.114 20 30 DGEDHN Cc1ccc(CO[C@@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000860466148 621407976 /nfs/dbraw/zinc/40/79/76/621407976.db2.gz QBBPUFNWFUWIJX-WMLDXEAASA-N 0 3 323.396 3.183 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000860467021 621408212 /nfs/dbraw/zinc/40/82/12/621408212.db2.gz AMOJFWAITWZMFZ-KGLIPLIRSA-N 0 3 322.792 3.193 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H](C)c2ccco2)c1 ZINC000860469153 621408453 /nfs/dbraw/zinc/40/84/53/621408453.db2.gz PKVUJHLXCJVOSB-DZGCQCFKSA-N 0 3 310.353 3.429 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000860470563 621408531 /nfs/dbraw/zinc/40/85/31/621408531.db2.gz QNBXDMPJAKCRIB-HZPDHXFCSA-N 0 3 316.401 3.102 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@@H](OC)C2(C)C)c([O-])c1 ZINC000753139886 621427513 /nfs/dbraw/zinc/42/75/13/621427513.db2.gz XLKXDHGZDKZAHI-WKHYQZIASA-N 0 3 304.434 3.471 20 30 DGEDHN C[C@H](NCCCC#N)c1ccc(N2CCOCC2)cc1Cl ZINC000753735062 621462620 /nfs/dbraw/zinc/46/26/20/621462620.db2.gz PSQIXABQMJCFLN-ZDUSSCGKSA-N 0 3 307.825 3.131 20 30 DGEDHN CC(C)N1CC(N=Nc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000754253158 621499327 /nfs/dbraw/zinc/49/93/27/621499327.db2.gz ATPWOMXXZUYZIH-SNVBAGLBSA-N 0 3 300.328 3.228 20 30 DGEDHN CCCCCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000862360047 621577701 /nfs/dbraw/zinc/57/77/01/621577701.db2.gz VEOIQSSQLGZWMQ-GOSISDBHSA-N 0 3 317.477 3.380 20 30 DGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(Br)cc1 ZINC000755892923 621600717 /nfs/dbraw/zinc/60/07/17/621600717.db2.gz NCFZEHWUTRFVKJ-JTQLQIEISA-N 0 3 308.223 3.331 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCCO1 ZINC000756242759 621622464 /nfs/dbraw/zinc/62/24/64/621622464.db2.gz OHKTWPVSJFXLQD-HWPZZCPQSA-N 0 3 319.311 3.177 20 30 DGEDHN C[C@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CC[N@@H+]1C ZINC000863128170 621641367 /nfs/dbraw/zinc/64/13/67/621641367.db2.gz HHZZYMMSYXJQCU-JTQLQIEISA-N 0 3 301.419 3.174 20 30 DGEDHN C[C@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CC[N@H+]1C ZINC000863128170 621641368 /nfs/dbraw/zinc/64/13/68/621641368.db2.gz HHZZYMMSYXJQCU-JTQLQIEISA-N 0 3 301.419 3.174 20 30 DGEDHN CCOc1ccc(C(C)=NNc2ccnc(C)c2)cc1OCC ZINC000863158452 621643103 /nfs/dbraw/zinc/64/31/03/621643103.db2.gz BZPZTWIHNDVCDU-UHFFFAOYSA-N 0 3 313.401 3.445 20 30 DGEDHN CC1=CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000756637303 621654613 /nfs/dbraw/zinc/65/46/13/621654613.db2.gz QSROOTKUPIVFOG-CYBMUJFWSA-N 0 3 311.410 3.125 20 30 DGEDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1C#N ZINC000756763378 621662616 /nfs/dbraw/zinc/66/26/16/621662616.db2.gz ZRUITHVNXPBFOZ-NSHDSACASA-N 0 3 300.333 3.262 20 30 DGEDHN CCNC(=O)OC[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000839601248 621698382 /nfs/dbraw/zinc/69/83/82/621698382.db2.gz JMQOTDPMWFBAAQ-MRXNPFEDSA-N 0 3 321.465 3.451 20 30 DGEDHN Cc1ccn(CN(CCC(C)C)C2CCCC2)c(=O)c1C#N ZINC000758211681 621766904 /nfs/dbraw/zinc/76/69/04/621766904.db2.gz XSGURRBGWOSFOE-UHFFFAOYSA-N 0 3 301.434 3.277 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CO)CC(F)F)cc1 ZINC000760041635 621912482 /nfs/dbraw/zinc/91/24/82/621912482.db2.gz ZHKRGGKBIDEWHR-DGCLKSJQSA-N 0 3 319.779 3.485 20 30 DGEDHN CCOC(=O)CC[C@@H](C)/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000760227939 621922641 /nfs/dbraw/zinc/92/26/41/621922641.db2.gz CCUPTWWFIYELJU-RMENWYJGSA-N 0 3 320.433 3.389 20 30 DGEDHN Cc1ccc(C(C)C)c(OCC(=O)C(C#N)c2ccncn2)c1 ZINC000760360166 621935306 /nfs/dbraw/zinc/93/53/06/621935306.db2.gz WNWWZNKLPCHDKV-OAHLLOKOSA-N 0 3 309.369 3.164 20 30 DGEDHN CCO[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(C)C ZINC000761065887 621983783 /nfs/dbraw/zinc/98/37/83/621983783.db2.gz WFPQSNJDKYVVSR-LRDDRELGSA-N 0 3 300.358 3.455 20 30 DGEDHN CCn1nc(CN[C@H]2Cc3ccc(C#N)cc3C2)c2ccccc21 ZINC000865848576 622007312 /nfs/dbraw/zinc/00/73/12/622007312.db2.gz UPMURSBJVAIIJK-KRWDZBQOSA-N 0 3 316.408 3.185 20 30 DGEDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(OC)c(C#N)c1 ZINC000866307543 622089598 /nfs/dbraw/zinc/08/95/98/622089598.db2.gz DCOHRIKWDDEWGE-GOSISDBHSA-N 0 3 308.381 3.353 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)CCc2cncc3ccccc32)nn1 ZINC000866380010 622107302 /nfs/dbraw/zinc/10/73/02/622107302.db2.gz YGSTZHZIPIQMEG-HNNXBMFYSA-N 0 3 321.428 3.123 20 30 DGEDHN C[C@H](NC1CCN(c2ccccc2C#N)CC1)c1nccs1 ZINC000866448158 622120507 /nfs/dbraw/zinc/12/05/07/622120507.db2.gz AJRZGMZPIXKAMS-ZDUSSCGKSA-N 0 3 312.442 3.334 20 30 DGEDHN CC(C)c1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121733854 622176352 /nfs/dbraw/zinc/17/63/52/622176352.db2.gz ZVBZNFDXKKHLIB-GUYCJALGSA-N 0 3 312.413 3.291 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000767043598 622371215 /nfs/dbraw/zinc/37/12/15/622371215.db2.gz TUUPCOHYLRYPRZ-INIZCTEOSA-N 0 3 315.461 3.369 20 30 DGEDHN Cc1nccn1-c1ccc(CNCc2ccc(C#N)c(C)c2)cn1 ZINC000767683244 622415099 /nfs/dbraw/zinc/41/50/99/622415099.db2.gz UCQCKHMVEFLXGH-UHFFFAOYSA-N 0 3 317.396 3.046 20 30 DGEDHN Cc1cc2c(CC(=O)C(C#N)C(=O)NC(C)C)csc2s1 ZINC000870143832 622436780 /nfs/dbraw/zinc/43/67/80/622436780.db2.gz ZMLWUKBBAHMKIH-LBPRGKRZSA-N 0 3 320.439 3.047 20 30 DGEDHN CCOC(C)(C)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000870158636 622437479 /nfs/dbraw/zinc/43/74/79/622437479.db2.gz MWNYJZSFALYJGP-JTQLQIEISA-N 0 3 321.327 3.423 20 30 DGEDHN C=CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCCCC1 ZINC000768445334 622456961 /nfs/dbraw/zinc/45/69/61/622456961.db2.gz GFWSSMDTWGZCPL-GOSISDBHSA-N 0 3 317.429 3.386 20 30 DGEDHN C=CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCCCC1 ZINC000768445334 622456964 /nfs/dbraw/zinc/45/69/64/622456964.db2.gz GFWSSMDTWGZCPL-GOSISDBHSA-N 0 3 317.429 3.386 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000769311974 622516686 /nfs/dbraw/zinc/51/66/86/622516686.db2.gz OHYKEJZWOVGVAI-NVXWUHKLSA-N 0 3 310.401 3.011 20 30 DGEDHN CN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CCC1(C)C ZINC000871156977 622556805 /nfs/dbraw/zinc/55/68/05/622556805.db2.gz QDNMTHDRDNVNMC-UHFFFAOYSA-N 0 3 313.445 3.044 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259398 622734457 /nfs/dbraw/zinc/73/44/57/622734457.db2.gz ZPNIKWFPINADFT-DHCBQETCSA-N 0 3 312.760 3.032 20 30 DGEDHN COCCc1nc(C)c([C@H](C)NCc2ccc(C#N)cc2)s1 ZINC000771385223 622751571 /nfs/dbraw/zinc/75/15/71/622751571.db2.gz REPWAEATHOEFLM-LBPRGKRZSA-N 0 3 315.442 3.363 20 30 DGEDHN C#Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000771504920 622769509 /nfs/dbraw/zinc/76/95/09/622769509.db2.gz NICFNEYBGKLMMD-KXBFYZLASA-N 0 3 321.424 3.481 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068893 622787174 /nfs/dbraw/zinc/78/71/74/622787174.db2.gz KKPAUVIOMCRPRJ-MKBNYLNASA-N 0 3 308.353 3.366 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccnc(SC)c2)cc1 ZINC000771880465 622808622 /nfs/dbraw/zinc/80/86/22/622808622.db2.gz ILHAWBIJYYKNAL-UHFFFAOYSA-N 0 3 312.438 3.495 20 30 DGEDHN N#CC1(C[C@H](O)CNCc2cc(Cl)cc(Cl)c2F)CC1 ZINC000872234739 622863317 /nfs/dbraw/zinc/86/33/17/622863317.db2.gz GDLXMPKPPBHFTE-NSHDSACASA-N 0 3 317.191 3.277 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1ccco1 ZINC000772643707 622922718 /nfs/dbraw/zinc/92/27/18/622922718.db2.gz DPGNISAVLXWXAJ-INIZCTEOSA-N 0 3 324.380 3.294 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1cccc(F)c1 ZINC000772932579 622954947 /nfs/dbraw/zinc/95/49/47/622954947.db2.gz ZIKWHVIIYPTGCG-APPDUMDISA-N 0 3 302.324 3.048 20 30 DGEDHN CN(CCO)c1ccc(C=NN2CCC(C(C)(C)C)CC2)cc1 ZINC000790180437 625613222 /nfs/dbraw/zinc/61/32/22/625613222.db2.gz FRXNBWVAGJOQKF-UHFFFAOYSA-N 0 3 317.477 3.207 20 30 DGEDHN C[C@@H](NC[C@H]1Cc2ccccc2CN1)c1ccc(C#N)cc1F ZINC000873294881 623107135 /nfs/dbraw/zinc/10/71/35/623107135.db2.gz VKYMEUNUEOKSPL-CXAGYDPISA-N 0 3 309.388 3.062 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774480711 623151441 /nfs/dbraw/zinc/15/14/41/623151441.db2.gz CGHMRVNJFQZCLA-CVEARBPZSA-N 0 3 317.477 3.216 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CCC=CCC2)c1 ZINC000873498213 623160639 /nfs/dbraw/zinc/16/06/39/623160639.db2.gz SEQTULBMZAFTJV-MRXNPFEDSA-N 0 3 312.369 3.089 20 30 DGEDHN Cc1cc(CN2CCC(OC[C@H]3CCCO3)CC2)ccc1C#N ZINC000774862075 623200997 /nfs/dbraw/zinc/20/09/97/623200997.db2.gz IEAHPFHSYDPPRM-LJQANCHMSA-N 0 3 314.429 3.027 20 30 DGEDHN N#CCCNC(=O)CN[C@@H](CC1CCCCC1)c1ccccc1 ZINC000775322138 623253994 /nfs/dbraw/zinc/25/39/94/623253994.db2.gz FVQYFUBOKOCNSR-SFHVURJKSA-N 0 3 313.445 3.318 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1cc(F)ccc1F)c1cccc(C#N)c1 ZINC000775338891 623256374 /nfs/dbraw/zinc/25/63/74/623256374.db2.gz UIVRTOJKPKBOSV-PIGZYNQJSA-N 0 3 302.324 3.221 20 30 DGEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1C#N ZINC000124958322 623260628 /nfs/dbraw/zinc/26/06/28/623260628.db2.gz WIMCVAFWOYYZKU-GFCCVEGCSA-N 0 3 310.353 3.146 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](CC)Cc2cccc(C)c2)CC1 ZINC000874436595 623270364 /nfs/dbraw/zinc/27/03/64/623270364.db2.gz LKMZUVDTNSICGT-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000775412929 623271890 /nfs/dbraw/zinc/27/18/90/623271890.db2.gz SHDFZPPLNZQTRO-KFWWJZLASA-N 0 3 308.447 3.167 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000874834619 623365262 /nfs/dbraw/zinc/36/52/62/623365262.db2.gz UGEYTGACLBUBRZ-OTWHNJEPSA-N 0 3 312.457 3.432 20 30 DGEDHN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776165277 623386989 /nfs/dbraw/zinc/38/69/89/623386989.db2.gz ZPYOTYZCSGBJDJ-SCLBCKFNSA-N 0 3 322.412 3.416 20 30 DGEDHN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776168270 623388017 /nfs/dbraw/zinc/38/80/17/623388017.db2.gz HYAJZNDMQBNVCR-BBRMVZONSA-N 0 3 316.426 3.343 20 30 DGEDHN C#CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000776252213 623401798 /nfs/dbraw/zinc/40/17/98/623401798.db2.gz KAEAIZPHWGEODQ-DLBZAZTESA-N 0 3 314.429 3.350 20 30 DGEDHN C#CCCN1CCN([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000776594563 623445360 /nfs/dbraw/zinc/44/53/60/623445360.db2.gz MYBRCGLYAOFADA-CQSZACIVSA-N 0 3 310.363 3.407 20 30 DGEDHN CC(C)CN(C(=O)c1sccc1CC#N)C1CCN(C)CC1 ZINC000875737945 623485879 /nfs/dbraw/zinc/48/58/79/623485879.db2.gz OCNROOMEPBWHKO-UHFFFAOYSA-N 0 3 319.474 3.007 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1nc(C)cs1 ZINC000778156484 623616782 /nfs/dbraw/zinc/61/67/82/623616782.db2.gz UDAABVACBIZROH-UHFFFAOYSA-N 0 3 320.845 3.449 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1cnc(C)s1 ZINC000778173554 623620500 /nfs/dbraw/zinc/62/05/00/623620500.db2.gz LBRVCXUQXLUWOE-UHFFFAOYSA-N 0 3 320.845 3.449 20 30 DGEDHN C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000876531911 623635645 /nfs/dbraw/zinc/63/56/45/623635645.db2.gz STGCVYBMMCPPKG-RDJZCZTQSA-N 0 3 302.418 3.313 20 30 DGEDHN C[C@@H](CCC#N)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000876531911 623635647 /nfs/dbraw/zinc/63/56/47/623635647.db2.gz STGCVYBMMCPPKG-RDJZCZTQSA-N 0 3 302.418 3.313 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000876578053 623649769 /nfs/dbraw/zinc/64/97/69/623649769.db2.gz ZMOKYZKQIVFQEW-HNNXBMFYSA-N 0 3 308.853 3.113 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000876598161 623656922 /nfs/dbraw/zinc/65/69/22/623656922.db2.gz LDPLMTMPZVWWTP-NSHDSACASA-N 0 3 307.781 3.360 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](C)c1cccc(OC)c1 ZINC000876605309 623657351 /nfs/dbraw/zinc/65/73/51/623657351.db2.gz KXSQZRLOWCVRKD-DOMZBBRYSA-N 0 3 310.825 3.075 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000876623300 623663029 /nfs/dbraw/zinc/66/30/29/623663029.db2.gz GJWRQDWLEARFEX-HNNXBMFYSA-N 0 3 308.809 3.022 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000876629439 623665030 /nfs/dbraw/zinc/66/50/30/623665030.db2.gz SFXRCABERLXQKZ-GFCCVEGCSA-N 0 3 300.761 3.021 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000876638622 623666824 /nfs/dbraw/zinc/66/68/24/623666824.db2.gz MFQQRLKMBDEJST-LBPRGKRZSA-N 0 3 308.784 3.064 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000876645740 623669333 /nfs/dbraw/zinc/66/93/33/623669333.db2.gz QPZIGKRQOZZIJH-JKSUJKDBSA-N 0 3 306.837 3.253 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000876645734 623669387 /nfs/dbraw/zinc/66/93/87/623669387.db2.gz QPZIGKRQOZZIJH-CVEARBPZSA-N 0 3 306.837 3.253 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000876647521 623669476 /nfs/dbraw/zinc/66/94/76/623669476.db2.gz LIOQUMCQSOLXHP-HUUCEWRRSA-N 0 3 310.800 3.253 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000876663733 623674349 /nfs/dbraw/zinc/67/43/49/623674349.db2.gz CIAHKWYURWHBHK-DOTOQJQBSA-N 0 3 306.837 3.037 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000876666959 623675020 /nfs/dbraw/zinc/67/50/20/623675020.db2.gz ZLUMLTFNJHHOKY-HUUCEWRRSA-N 0 3 324.877 3.081 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000876685195 623681533 /nfs/dbraw/zinc/68/15/33/623681533.db2.gz MUHYUMFODRQVLO-HNNXBMFYSA-N 0 3 308.853 3.201 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000876686243 623681865 /nfs/dbraw/zinc/68/18/65/623681865.db2.gz SUJACHIANHFHKU-HOTGVXAUSA-N 0 3 308.853 3.244 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000876693022 623684081 /nfs/dbraw/zinc/68/40/81/623684081.db2.gz NFRIHUSOXPAPSY-SJLPKXTDSA-N 0 3 320.864 3.328 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000876711865 623687540 /nfs/dbraw/zinc/68/75/40/623687540.db2.gz HISASRQRNMUDRQ-QWRGUYRKSA-N 0 3 323.849 3.286 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000876717367 623688595 /nfs/dbraw/zinc/68/85/95/623688595.db2.gz CXRPPEAFWBCKKN-AWEZNQCLSA-N 0 3 321.852 3.475 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000876737159 623692419 /nfs/dbraw/zinc/69/24/19/623692419.db2.gz OYBFJOVINZUHMY-CQSZACIVSA-N 0 3 318.808 3.102 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000876778801 623703494 /nfs/dbraw/zinc/70/34/94/623703494.db2.gz OQJLXDCDZPRZQM-CQSZACIVSA-N 0 3 321.852 3.474 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000876878637 623733947 /nfs/dbraw/zinc/73/39/47/623733947.db2.gz HXYYXHCTJXROFM-OAHLLOKOSA-N 0 3 306.837 3.037 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000876881782 623734980 /nfs/dbraw/zinc/73/49/80/623734980.db2.gz PBSLHINLYJBNAZ-VVLHAWIVSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000876883610 623735218 /nfs/dbraw/zinc/73/52/18/623735218.db2.gz KUBQDABESIILCH-SNPRPXQTSA-N 0 3 310.800 3.048 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@H]1C[C@@H](C)O ZINC000779158695 623736801 /nfs/dbraw/zinc/73/68/01/623736801.db2.gz WZFZEYLOAMKNQT-KGLIPLIRSA-N 0 3 307.821 3.087 20 30 DGEDHN C=CCOc1ccc(CNC2(C(=O)NC)CCCC2)cc1Cl ZINC000779174768 623738528 /nfs/dbraw/zinc/73/85/28/623738528.db2.gz BBHSYBMYXMKUGJ-UHFFFAOYSA-N 0 3 322.836 3.053 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC000876908716 623742043 /nfs/dbraw/zinc/74/20/43/623742043.db2.gz PWXBRWKUQIAJIO-JKSUJKDBSA-N 0 3 308.853 3.087 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(C(C)C)cc2C1 ZINC000876960997 623755899 /nfs/dbraw/zinc/75/58/99/623755899.db2.gz AIQACCIOUGKSJG-MRXNPFEDSA-N 0 3 306.837 3.165 20 30 DGEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCOCC2)n1 ZINC000877041091 623773525 /nfs/dbraw/zinc/77/35/25/623773525.db2.gz CHFNZMMDBOIFKF-IBGZPJMESA-N 0 3 307.397 3.211 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000877053798 623776962 /nfs/dbraw/zinc/77/69/62/623776962.db2.gz BNZSZPODPLQXBA-GJZGRUSLSA-N 0 3 324.827 3.390 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000877117576 623795154 /nfs/dbraw/zinc/79/51/54/623795154.db2.gz JONXRMWFABBPGU-ZNMIVQPWSA-N 0 3 317.820 3.044 20 30 DGEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877124338 623796880 /nfs/dbraw/zinc/79/68/80/623796880.db2.gz VJWKQOXAJKYTOT-KBPBESRZSA-N 0 3 307.825 3.290 20 30 DGEDHN C#CCCCCCCNCc1nnc2ccc(C(F)(F)F)cn21 ZINC000877143197 623806830 /nfs/dbraw/zinc/80/68/30/623806830.db2.gz HQAAOSIBUQEMQP-UHFFFAOYSA-N 0 3 324.350 3.421 20 30 DGEDHN CCC(Cc1ccc(Cl)cc1Cl)=NNC1=N[C@@H](C)CN1 ZINC000779794129 623808882 /nfs/dbraw/zinc/80/88/82/623808882.db2.gz CTMHRNDZOYAZLE-VIFPVBQESA-N 0 3 313.232 3.239 20 30 DGEDHN CCC(N=Nc1ccncc1)c1ccc(Br)cc1 ZINC000779808944 623811283 /nfs/dbraw/zinc/81/12/83/623811283.db2.gz QDCMITIYIPQSAW-UHFFFAOYSA-N 0 3 304.191 3.492 20 30 DGEDHN CC(C)(C)OC(=O)NCC(C)(C)CN1CCC(C)(C#N)CC1 ZINC000877182889 623820942 /nfs/dbraw/zinc/82/09/42/623820942.db2.gz UDBKUDVXAJREHD-UHFFFAOYSA-N 0 3 309.454 3.163 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(Cc1ccccc1)C(C)C ZINC000877198582 623825466 /nfs/dbraw/zinc/82/54/66/623825466.db2.gz JYBBETMFNYPPMX-WBVHZDCISA-N 0 3 308.853 3.230 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000779910074 623831330 /nfs/dbraw/zinc/83/13/30/623831330.db2.gz MCZCINZXPVZDSP-KRWDZBQOSA-N 0 3 300.446 3.207 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000779915739 623832235 /nfs/dbraw/zinc/83/22/35/623832235.db2.gz JRCZHNRMPICOLI-UHFFFAOYSA-N 0 3 314.473 3.469 20 30 DGEDHN C#CCCCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000779985522 623845211 /nfs/dbraw/zinc/84/52/11/623845211.db2.gz ANDHWCVKRAHSBU-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN C=C(C)CCNCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877564798 623943864 /nfs/dbraw/zinc/94/38/64/623943864.db2.gz LPTFDAJUDNVFTC-UHFFFAOYSA-N 0 3 323.437 3.490 20 30 DGEDHN C[C@]1(CCNCc2cc(C#N)cnc2Cl)C[C@@]1(F)Cl ZINC000877611375 623961873 /nfs/dbraw/zinc/96/18/73/623961873.db2.gz PZRLJZGDVPHXFD-STQMWFEESA-N 0 3 302.180 3.401 20 30 DGEDHN C=CCCNCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877623422 623967710 /nfs/dbraw/zinc/96/77/10/623967710.db2.gz OTLQHVWYEDWKBL-UHFFFAOYSA-N 0 3 309.410 3.100 20 30 DGEDHN CC1(C)CCC(O)(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877636010 623971735 /nfs/dbraw/zinc/97/17/35/623971735.db2.gz KJCIUNVURXZAAF-UHFFFAOYSA-N 0 3 307.825 3.028 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672654 623986964 /nfs/dbraw/zinc/98/69/64/623986964.db2.gz JTAHPFZJKKJFIK-CTNGQTDRSA-N 0 3 321.420 3.397 20 30 DGEDHN Cc1csc([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000877814657 624047930 /nfs/dbraw/zinc/04/79/30/624047930.db2.gz WIUKNAKNUZXGNB-AWEZNQCLSA-N 0 3 301.390 3.452 20 30 DGEDHN COc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)cc1C#N ZINC000781906393 624169485 /nfs/dbraw/zinc/16/94/85/624169485.db2.gz CDGFVUDJESZWET-ZDUSSCGKSA-N 0 3 323.396 3.376 20 30 DGEDHN C[C@H](CC#N)N(C)CC(CN(C)[C@H](C)CC#N)C1CCCC1 ZINC000878189353 624206966 /nfs/dbraw/zinc/20/69/66/624206966.db2.gz WWFGCJWLWNXSNY-HZPDHXFCSA-N 0 3 304.482 3.261 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N(C)CC(F)F)CC1 ZINC000782185595 624217357 /nfs/dbraw/zinc/21/73/57/624217357.db2.gz HKQWTKFMZZFVFL-ZDUSSCGKSA-N 0 3 307.388 3.281 20 30 DGEDHN COC(=O)c1ccc(N=NC2CN(C3CC3)C[C@@H]2C)cc1Cl ZINC000782237794 624225355 /nfs/dbraw/zinc/22/53/55/624225355.db2.gz JGHZAWJWGFFWFG-JTQLQIEISA-N 0 3 321.808 3.009 20 30 DGEDHN CC(=O)[C@@](C#N)(CCN1CCSCC[C@H]1C)c1ccccc1 ZINC000878504193 624292378 /nfs/dbraw/zinc/29/23/78/624292378.db2.gz DSNXPGACUOVKRP-QAPCUYQASA-N 0 3 316.470 3.254 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC12CCN(CC1(CC#N)CC1)CC2 ZINC000878723834 624348677 /nfs/dbraw/zinc/34/86/77/624348677.db2.gz WEYQXIYJIUYIDA-UHFFFAOYSA-N 0 3 319.449 3.156 20 30 DGEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@H](CCF)C1)c1ccccc1 ZINC000878949339 624394680 /nfs/dbraw/zinc/39/46/80/624394680.db2.gz LKZNZJWPXNCSRU-MJGOQNOKSA-N 0 3 316.420 3.499 20 30 DGEDHN C[C@H](C#N)OCCN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000879079234 624421968 /nfs/dbraw/zinc/42/19/68/624421968.db2.gz GUCHUOSEEKFWOZ-XLIONFOSSA-N 0 3 324.424 3.151 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)c(F)c1 ZINC000879240244 624457258 /nfs/dbraw/zinc/45/72/58/624457258.db2.gz LFARHZIWKZWLQQ-MOPGFXCFSA-N 0 3 310.372 3.395 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)c1F ZINC000879244858 624459631 /nfs/dbraw/zinc/45/96/31/624459631.db2.gz UBFWLRCHVYSFME-MJGOQNOKSA-N 0 3 310.372 3.395 20 30 DGEDHN N#CCCNC(=O)CN[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000879284210 624484339 /nfs/dbraw/zinc/48/43/39/624484339.db2.gz BHJJFPFLPWSNPA-SFHVURJKSA-N 0 3 317.408 3.067 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879560157 624590004 /nfs/dbraw/zinc/59/00/04/624590004.db2.gz RMUQBIVHKKHIPQ-GXTWGEPZSA-N 0 3 322.861 3.427 20 30 DGEDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1[O-] ZINC000879650010 624622921 /nfs/dbraw/zinc/62/29/21/624622921.db2.gz XJCLNRCZKHBZOD-LLVKDONJSA-N 0 3 315.398 3.005 20 30 DGEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2nc(C)cs2)C1 ZINC000880008210 624750954 /nfs/dbraw/zinc/75/09/54/624750954.db2.gz APXRCHBZUFUSOE-AWEZNQCLSA-N 0 3 313.426 3.321 20 30 DGEDHN COC(=O)[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1Cl)CC2 ZINC000880183705 624824657 /nfs/dbraw/zinc/82/46/57/624824657.db2.gz XCMJNVOGRQWHPE-WBVHZDCISA-N 0 3 318.804 3.129 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC(C)(C)C)c1 ZINC000786542643 624916500 /nfs/dbraw/zinc/91/65/00/624916500.db2.gz VAXKAOVXZHWQGJ-HNNXBMFYSA-N 0 3 300.402 3.146 20 30 DGEDHN COc1ccc(CN2CCC3(CCCCO3)CC2)cc1C#N ZINC000880455587 624959431 /nfs/dbraw/zinc/95/94/31/624959431.db2.gz BEFFEONHSNADST-UHFFFAOYSA-N 0 3 300.402 3.102 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065530 624975155 /nfs/dbraw/zinc/97/51/55/624975155.db2.gz HYNRURNZRRSPFP-RHSMWYFYSA-N 0 3 314.429 3.426 20 30 DGEDHN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787075518 624976576 /nfs/dbraw/zinc/97/65/76/624976576.db2.gz ZJLMLFHLLDRFTR-DJIMGWMZSA-N 0 3 312.413 3.180 20 30 DGEDHN OC[C@H](NN=Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000788461163 625185245 /nfs/dbraw/zinc/18/52/45/625185245.db2.gz QMTJVTHOBDKMLO-FQEVSTJZSA-N 0 3 323.440 3.334 20 30 DGEDHN C#C[C@H](CCC)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000791013452 625737323 /nfs/dbraw/zinc/73/73/23/625737323.db2.gz DPUZNBXMSJWRBT-CVEARBPZSA-N 0 3 321.490 3.232 20 30 DGEDHN CC(C)(C)C#CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805961619 625838944 /nfs/dbraw/zinc/83/89/44/625838944.db2.gz CKQMXZZFIOUNFO-UHFFFAOYSA-N 0 3 313.441 3.491 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(NC(N)=O)cc2)cc1 ZINC000130896301 625915920 /nfs/dbraw/zinc/91/59/20/625915920.db2.gz JNXMYRZBHYQECS-AWEZNQCLSA-N 0 3 323.396 3.040 20 30 DGEDHN Cc1cc(CNCc2cccc(C3(C)OCCO3)c2)ccc1C#N ZINC000883128537 625935377 /nfs/dbraw/zinc/93/53/77/625935377.db2.gz LMEJKNXJBQMODG-UHFFFAOYSA-N 0 3 322.408 3.376 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000796135424 626025401 /nfs/dbraw/zinc/02/54/01/626025401.db2.gz KSJLVRACSPQBCN-SUMWQHHRSA-N 0 3 308.372 3.477 20 30 DGEDHN CC(C)[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)C ZINC000798826728 626248584 /nfs/dbraw/zinc/24/85/84/626248584.db2.gz AZJQBQBDWLHQHL-BXUZGUMPSA-N 0 3 319.405 3.198 20 30 DGEDHN Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1C#N ZINC000799334980 626291792 /nfs/dbraw/zinc/29/17/92/626291792.db2.gz JWLYKKMYGAZCFL-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN COc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1C#N ZINC000799337416 626292289 /nfs/dbraw/zinc/29/22/89/626292289.db2.gz HICBAQXEJQRGEH-AWEZNQCLSA-N 0 3 321.380 3.320 20 30 DGEDHN O=C1C=C(NNc2ccnc3cc(Cl)ccc32)C2CCCN12 ZINC000799465369 626303142 /nfs/dbraw/zinc/30/31/42/626303142.db2.gz GQJXPILIABPKHP-HNNXBMFYSA-N 0 3 314.776 3.051 20 30 DGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)cc1C(F)(F)F ZINC000799492037 626305170 /nfs/dbraw/zinc/30/51/70/626305170.db2.gz IYJACYSLLSKFOF-SNVBAGLBSA-N 0 3 322.334 3.459 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)c2ccc(C)c(C#N)c2)N(C)C)cc1 ZINC000799589256 626312326 /nfs/dbraw/zinc/31/23/26/626312326.db2.gz MWELLQAAKDAALU-IBGZPJMESA-N 0 3 321.424 3.208 20 30 DGEDHN N#Cc1cc(C(=O)OC[C@@H]2CCCCN2Cc2ccccc2)c[nH]1 ZINC000799631944 626315209 /nfs/dbraw/zinc/31/52/09/626315209.db2.gz GGSNRVQPUYRUDZ-SFHVURJKSA-N 0 3 323.396 3.098 20 30 DGEDHN Cc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cc1C#N ZINC000799673693 626320308 /nfs/dbraw/zinc/32/03/08/626320308.db2.gz LJDMFOQNVKQRDJ-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000802797186 626573651 /nfs/dbraw/zinc/57/36/51/626573651.db2.gz QMRFYIQOSUZNNT-XJKSGUPXSA-N 0 3 300.402 3.146 20 30 DGEDHN C=CCC[C@H](N[C@H]1CCn2ccnc21)[C@H]1Cc2ccccc2O1 ZINC000883226238 626615620 /nfs/dbraw/zinc/61/56/20/626615620.db2.gz URWUQCPRIXSLLL-XYJFISCASA-N 0 3 309.413 3.256 20 30 DGEDHN C[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000883358523 626660233 /nfs/dbraw/zinc/66/02/33/626660233.db2.gz NAAQUUDMJBNNDX-WKEGUHRASA-N 0 3 319.220 3.174 20 30 DGEDHN C=CCc1cc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c([O-])c(OC)c1 ZINC000840124010 626776976 /nfs/dbraw/zinc/77/69/76/626776976.db2.gz JCAMROXXKFKXSE-KRWDZBQOSA-N 0 3 319.445 3.376 20 30 DGEDHN C=CCc1cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c([O-])c(OC)c1 ZINC000840124010 626776980 /nfs/dbraw/zinc/77/69/80/626776980.db2.gz JCAMROXXKFKXSE-KRWDZBQOSA-N 0 3 319.445 3.376 20 30 DGEDHN CCSCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1 ZINC000807981248 626782124 /nfs/dbraw/zinc/78/21/24/626782124.db2.gz FNENWRQAVZYQBG-HUUCEWRRSA-N 0 3 316.474 3.004 20 30 DGEDHN CCCCCCC[C@@H](C)CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884099754 626834643 /nfs/dbraw/zinc/83/46/43/626834643.db2.gz YEYNWWNAKCQLIV-XNGIKWSVSA-N 0 3 319.493 3.239 20 30 DGEDHN CCCCC[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)(C)C ZINC000884139092 626840121 /nfs/dbraw/zinc/84/01/21/626840121.db2.gz IYLSYPIIBWXELA-YJTLQXIOSA-N 0 3 319.493 3.237 20 30 DGEDHN C[C@H]1CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)c2ccccc21 ZINC000884316051 626863773 /nfs/dbraw/zinc/86/37/73/626863773.db2.gz ILUOANPCMHLVMT-ZZPBVIFJSA-N 0 3 323.440 3.056 20 30 DGEDHN C#Cc1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000809615243 626926415 /nfs/dbraw/zinc/92/64/15/626926415.db2.gz WTMYHIBGXFEXEF-QGZVFWFLSA-N 0 3 319.326 3.208 20 30 DGEDHN C#Cc1ccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000809650349 626932542 /nfs/dbraw/zinc/93/25/42/626932542.db2.gz WBDAUXXFGZMFPK-IBGZPJMESA-N 0 3 310.441 3.081 20 30 DGEDHN C#Cc1ccc(CN2CCCC[C@@H]2COC(=O)NC(C)C)cc1 ZINC000809721257 626941043 /nfs/dbraw/zinc/94/10/43/626941043.db2.gz WBHGXEONAFHCPE-GOSISDBHSA-N 0 3 314.429 3.157 20 30 DGEDHN C#Cc1ccc(CN2CCCC[C@H]2COC(=O)NC(C)C)cc1 ZINC000809721259 626941301 /nfs/dbraw/zinc/94/13/01/626941301.db2.gz WBHGXEONAFHCPE-SFHVURJKSA-N 0 3 314.429 3.157 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000809750229 626946913 /nfs/dbraw/zinc/94/69/13/626946913.db2.gz RCVMYVPJLLEIHE-NUEKZKHPSA-N 0 3 301.386 3.152 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@]1(C)CCCO ZINC000809757452 626947696 /nfs/dbraw/zinc/94/76/96/626947696.db2.gz MPPDYJKXGLPVQJ-GOSISDBHSA-N 0 3 321.848 3.479 20 30 DGEDHN C#Cc1ccccc1Cc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000810277551 626996085 /nfs/dbraw/zinc/99/60/85/626996085.db2.gz RMNSPKQYYLPEFI-UHFFFAOYSA-N 0 3 317.392 3.370 20 30 DGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@@H](O)CC1(C#N)CCC1 ZINC000886120757 627108496 /nfs/dbraw/zinc/10/84/96/627108496.db2.gz MYLPWJHYNUPYHQ-UPJWGTAASA-N 0 3 304.356 3.094 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000886129532 627109943 /nfs/dbraw/zinc/10/99/43/627109943.db2.gz IAJHEEWZYFYMRZ-OLZOCXBDSA-N 0 3 315.442 3.392 20 30 DGEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000886355892 627142160 /nfs/dbraw/zinc/14/21/60/627142160.db2.gz PGQAEJDWPGVBCN-KBPBESRZSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CCSCCNCc1cc(Cl)ccc1OC(F)F ZINC000219221237 627142372 /nfs/dbraw/zinc/14/23/72/627142372.db2.gz YPXUMANSOKBMRI-UHFFFAOYSA-N 0 3 305.777 3.397 20 30 DGEDHN C#CCN(C(=O)[C@H](C)c1ccc(Cl)s1)C1CCN(C)CC1 ZINC000886580042 627167059 /nfs/dbraw/zinc/16/70/59/627167059.db2.gz SQUDDLRBQRBMMK-GFCCVEGCSA-N 0 3 324.877 3.061 20 30 DGEDHN C#CCN(C(=O)CC/C=C/c1ccccc1)C1CCN(C)CC1 ZINC000886581191 627167069 /nfs/dbraw/zinc/16/70/69/627167069.db2.gz MTTJTVSSJNYFDD-YRNVUSSQSA-N 0 3 310.441 3.036 20 30 DGEDHN C#CCN(C(=O)c1ccc([C@@H](C)CC)cc1)C1CCN(C)CC1 ZINC000886579938 627167128 /nfs/dbraw/zinc/16/71/28/627167128.db2.gz OGGNUSMAUVEPKQ-INIZCTEOSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCn1cc2ccc(NC(=O)[C@H]3CCCN3CCC)cc2n1 ZINC000886647588 627179963 /nfs/dbraw/zinc/17/99/63/627179963.db2.gz UZKWZHWEKIFCIF-QGZVFWFLSA-N 0 3 312.417 3.035 20 30 DGEDHN COc1ccc(CN2CCC(c3nc(C)c(C)[nH]3)CC2)cc1C#N ZINC000886664189 627183777 /nfs/dbraw/zinc/18/37/77/627183777.db2.gz FBLLYCKJCJAPDT-UHFFFAOYSA-N 0 3 324.428 3.286 20 30 DGEDHN C[C@H](NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(C#N)cc1F ZINC000886763638 627201137 /nfs/dbraw/zinc/20/11/37/627201137.db2.gz AROAGBPDZPSWRV-VAGZCVSGSA-N 0 3 318.392 3.075 20 30 DGEDHN C[C@@H](NC[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(C#N)cc1F ZINC000886763637 627201168 /nfs/dbraw/zinc/20/11/68/627201168.db2.gz AROAGBPDZPSWRV-HOPMXRPOSA-N 0 3 318.392 3.075 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886832730 627210073 /nfs/dbraw/zinc/21/00/73/627210073.db2.gz MAWLRDNOZMKFSU-XJKSGUPXSA-N 0 3 320.820 3.243 20 30 DGEDHN CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccc2ccccc21 ZINC000886919322 627214176 /nfs/dbraw/zinc/21/41/76/627214176.db2.gz HSMCDSWDOPCARG-GOSISDBHSA-N 0 3 321.424 3.443 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486283 627280283 /nfs/dbraw/zinc/28/02/83/627280283.db2.gz LABYPXKAUBDZCE-VIFPVBQESA-N 0 3 319.188 3.176 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3cnn(C)c3c2)cc1 ZINC000812770989 627418376 /nfs/dbraw/zinc/41/83/76/627418376.db2.gz ZMWRUTPLODCRSZ-AWEZNQCLSA-N 0 3 320.396 3.154 20 30 DGEDHN C=CCCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215375 627468351 /nfs/dbraw/zinc/46/83/51/627468351.db2.gz XPCOIOGDKVZFBP-PWSUYJOCSA-N 0 3 312.291 3.258 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000814170032 627545967 /nfs/dbraw/zinc/54/59/67/627545967.db2.gz QHTKWVNOEQJDEJ-WQVCFCJDSA-N 0 3 306.356 3.455 20 30 DGEDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1[O-] ZINC000924960664 627698140 /nfs/dbraw/zinc/69/81/40/627698140.db2.gz QPXBUYJFMWDKSU-MAUKXSAKSA-N 0 3 315.461 3.425 20 30 DGEDHN Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)cc(C)n1 ZINC000817410010 627895548 /nfs/dbraw/zinc/89/55/48/627895548.db2.gz HWSNTMVPUFXNPS-UHFFFAOYSA-N 0 3 308.429 3.338 20 30 DGEDHN CCCCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000818106201 627995917 /nfs/dbraw/zinc/99/59/17/627995917.db2.gz XJXQBONEKKZUQU-IAGOWNOFSA-N 0 3 301.434 3.445 20 30 DGEDHN CC(C)C[C@H](NCCNc1ccc(C#N)cn1)c1ccccn1 ZINC000927163477 628029878 /nfs/dbraw/zinc/02/98/78/628029878.db2.gz JYDWLIFDLQWQIC-KRWDZBQOSA-N 0 3 309.417 3.137 20 30 DGEDHN CC[C@H](NCCNc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000927164442 628030532 /nfs/dbraw/zinc/03/05/32/628030532.db2.gz JYMNMYHPSBKKMS-INIZCTEOSA-N 0 3 316.355 3.384 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccc(CC)cc2)o1 ZINC000818612430 628043190 /nfs/dbraw/zinc/04/31/90/628043190.db2.gz ZIJUDWMNSPCXGS-UHFFFAOYSA-N 0 3 324.424 3.194 20 30 DGEDHN CC(C)(C#N)CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819892221 628196360 /nfs/dbraw/zinc/19/63/60/628196360.db2.gz ZLXYHHHKZIPBNO-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN CC(C)(C#N)CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819892221 628196363 /nfs/dbraw/zinc/19/63/63/628196363.db2.gz ZLXYHHHKZIPBNO-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN CC(C)(C#N)CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819892221 628196366 /nfs/dbraw/zinc/19/63/66/628196366.db2.gz ZLXYHHHKZIPBNO-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN CC(C)(C#N)CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819892221 628196368 /nfs/dbraw/zinc/19/63/68/628196368.db2.gz ZLXYHHHKZIPBNO-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN Cc1ccc(CN(CCc2ccccc2)C[C@H](O)CC#N)s1 ZINC000929091644 628207603 /nfs/dbraw/zinc/20/76/03/628207603.db2.gz LRYJELRRCRUVHD-QGZVFWFLSA-N 0 3 314.454 3.376 20 30 DGEDHN C=CCC1(C(=O)OCCN(C)Cc2ccccc2)CCOCC1 ZINC000821146369 628340796 /nfs/dbraw/zinc/34/07/96/628340796.db2.gz WCFVBNNRVJWJDT-UHFFFAOYSA-N 0 3 317.429 3.035 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894836 628608079 /nfs/dbraw/zinc/60/80/79/628608079.db2.gz XTHVKJJNUZHSJV-CQSZACIVSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894836 628608080 /nfs/dbraw/zinc/60/80/80/628608080.db2.gz XTHVKJJNUZHSJV-CQSZACIVSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823894360 628608168 /nfs/dbraw/zinc/60/81/68/628608168.db2.gz OBTOYAMDYFBMLO-VXGBXAGGSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823894360 628608169 /nfs/dbraw/zinc/60/81/69/628608169.db2.gz OBTOYAMDYFBMLO-VXGBXAGGSA-N 0 3 303.385 3.401 20 30 DGEDHN C#C[C@@H](NCc1ccccc1OCC(C)C)C1CCOCC1 ZINC000827554209 628969990 /nfs/dbraw/zinc/96/99/90/628969990.db2.gz APZVTFLWIXIQRR-GOSISDBHSA-N 0 3 301.430 3.239 20 30 DGEDHN C#C[C@H](NCc1cn(-c2cccc(C)c2)nc1C)C1CCOCC1 ZINC000827554741 628970052 /nfs/dbraw/zinc/97/00/52/628970052.db2.gz JNUJPULTIPLPFY-FQEVSTJZSA-N 0 3 323.440 3.007 20 30 DGEDHN C#C[C@@H](NCc1cn(-c2ccc(C)cc2)nc1C)C1CCOCC1 ZINC000827555089 628970092 /nfs/dbraw/zinc/97/00/92/628970092.db2.gz NIWNKWJVKMPZQC-HXUWFJFHSA-N 0 3 323.440 3.007 20 30 DGEDHN C#C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C1CCOCC1 ZINC000827565107 628971227 /nfs/dbraw/zinc/97/12/27/628971227.db2.gz JDLZTLAGSSJZCA-HNNXBMFYSA-N 0 3 315.310 3.363 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC)c(OCCC)c1)C1CCOCC1 ZINC000827569910 628971833 /nfs/dbraw/zinc/97/18/33/628971833.db2.gz IBBSCIGRTYHYNF-QGZVFWFLSA-N 0 3 317.429 3.002 20 30 DGEDHN C#C[C@@H](NCc1ccc(OCC)c(OCC)c1)C1CCOCC1 ZINC000827570882 628971853 /nfs/dbraw/zinc/97/18/53/628971853.db2.gz TVTGWZUQSIUEOO-QGZVFWFLSA-N 0 3 317.429 3.002 20 30 DGEDHN C[C@@H]1C[C@@H](CN2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000827650046 628979766 /nfs/dbraw/zinc/97/97/66/628979766.db2.gz MPTGRDLUHTWVOR-RVKKMQEKSA-N 0 3 321.465 3.258 20 30 DGEDHN C#Cc1ccc(CN[C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000827942777 629006057 /nfs/dbraw/zinc/00/60/57/629006057.db2.gz RPKDNOSLQYEBRX-LJQANCHMSA-N 0 3 306.409 3.056 20 30 DGEDHN C=CCCCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000828133406 629026382 /nfs/dbraw/zinc/02/63/82/629026382.db2.gz RZCPAWMFZUPQQU-QGZVFWFLSA-N 0 3 302.418 3.454 20 30 DGEDHN C#C[C@@H](C)N(C)CCCC(=O)c1ccc(Br)cc1 ZINC000829283051 629145967 /nfs/dbraw/zinc/14/59/67/629145967.db2.gz IJUYBKDVUZGFDE-GFCCVEGCSA-N 0 3 308.219 3.366 20 30 DGEDHN COc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)ccc1C#N ZINC000829678381 629181627 /nfs/dbraw/zinc/18/16/27/629181627.db2.gz HJJBBNGDRGQQCP-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000829773276 629190296 /nfs/dbraw/zinc/19/02/96/629190296.db2.gz BXPHNUOECKNURL-RCCFBDPRSA-N 0 3 312.457 3.030 20 30 DGEDHN C[C@@H]1[C@@H](C)N(CCCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830190252 629236449 /nfs/dbraw/zinc/23/64/49/629236449.db2.gz VQUPVBCPYAWTBZ-RRFJBIMHSA-N 0 3 309.454 3.398 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000831830597 629416701 /nfs/dbraw/zinc/41/67/01/629416701.db2.gz XSXRSKRIHVNMCN-NEPJUHHUSA-N 0 3 300.349 3.036 20 30 DGEDHN C=C(CC)CN[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834904461 629804858 /nfs/dbraw/zinc/80/48/58/629804858.db2.gz YNGMFJQRTJQLOZ-LLVKDONJSA-N 0 3 303.374 3.300 20 30 DGEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000835062920 629841409 /nfs/dbraw/zinc/84/14/09/629841409.db2.gz STHORCINDPBFNH-WBVHZDCISA-N 0 3 324.380 3.302 20 30 DGEDHN CN(C)Cc1cccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000835210461 629879649 /nfs/dbraw/zinc/87/96/49/629879649.db2.gz UTJYEBILBDYGSP-GOSISDBHSA-N 0 3 322.408 3.287 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@H]2CCC)CC1 ZINC000837108336 630214852 /nfs/dbraw/zinc/21/48/52/630214852.db2.gz RDZWNEKXIFHUPG-AEFFLSMTSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@@H]2CCC)CC1 ZINC000837108337 630215162 /nfs/dbraw/zinc/21/51/62/630215162.db2.gz RDZWNEKXIFHUPG-FUHWJXTLSA-N 0 3 304.478 3.054 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(CF)CCOCC2)c([O-])c1 ZINC000840708457 630350942 /nfs/dbraw/zinc/35/09/42/630350942.db2.gz GEEPWHXHTUYJGE-UDWIEESQSA-N 0 3 322.424 3.424 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CCC3)C2)cc1 ZINC000842686491 630562992 /nfs/dbraw/zinc/56/29/92/630562992.db2.gz NPHGAEBCUXYDFG-MRXNPFEDSA-N 0 3 310.397 3.477 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(C)c2Cl)CC1 ZINC000843636706 630682135 /nfs/dbraw/zinc/68/21/35/630682135.db2.gz OIOJWLVNSSPOPD-UHFFFAOYSA-N 0 3 304.821 3.241 20 30 DGEDHN C#Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000844310882 630717902 /nfs/dbraw/zinc/71/79/02/630717902.db2.gz VNADXZZEIZLLKX-ZIAGYGMSSA-N 0 3 311.303 3.354 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000845447413 631175757 /nfs/dbraw/zinc/17/57/57/631175757.db2.gz CHRIJUFVRBGOOX-ABAIWWIYSA-N 0 3 318.804 3.211 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(C#N)c(Cl)c1 ZINC000845729845 631192099 /nfs/dbraw/zinc/19/20/99/631192099.db2.gz DUIKIMDGABYXOL-CYBMUJFWSA-N 0 3 306.793 3.241 20 30 DGEDHN CCc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000846007447 631205451 /nfs/dbraw/zinc/20/54/51/631205451.db2.gz NMFDKQCLNVHWSO-QGZVFWFLSA-N 0 3 300.427 3.348 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](CC(C)C)c1ccc(F)cc1 ZINC000846165588 631212952 /nfs/dbraw/zinc/21/29/52/631212952.db2.gz PCMUVURXNYSSGR-MRXNPFEDSA-N 0 3 313.438 3.103 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000847737010 631528410 /nfs/dbraw/zinc/52/84/10/631528410.db2.gz QCECXOCGECBBDH-PBHICJAKSA-N 0 3 314.429 3.153 20 30 DGEDHN COC(=O)c1cccc(N=NC2CCCN3CCCC[C@@H]23)c1F ZINC000848412161 631656396 /nfs/dbraw/zinc/65/63/96/631656396.db2.gz KKFFCTXBOVEFML-HNNXBMFYSA-N 0 3 319.380 3.029 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000848564665 631694825 /nfs/dbraw/zinc/69/48/25/631694825.db2.gz AYUUGLQDVQYLND-UAOJZALGSA-N 0 3 307.393 3.008 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2COC3(CCC3)C2)c([O-])c1 ZINC000849172467 631852576 /nfs/dbraw/zinc/85/25/76/631852576.db2.gz SOIVLKSVNAEXPA-VUFYJBQKSA-N 0 3 302.418 3.369 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccccc1F ZINC000109038444 632022489 /nfs/dbraw/zinc/02/24/89/632022489.db2.gz GKNOBHZCEXEHSS-DZGCQCFKSA-N 0 3 318.392 3.335 20 30 DGEDHN N#CC1(c2ccc(CNCc3ccc4c(c3)CCO4)cc2)CC1 ZINC000850112575 632059289 /nfs/dbraw/zinc/05/92/89/632059289.db2.gz ZUKZWPPTSVVCIH-UHFFFAOYSA-N 0 3 304.393 3.466 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(C2OCCO2)s1 ZINC000850342346 632119547 /nfs/dbraw/zinc/11/95/47/632119547.db2.gz POZFTMBQYYIKTM-STQMWFEESA-N 0 3 308.447 3.413 20 30 DGEDHN CN(CCC#N)c1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368738 632128063 /nfs/dbraw/zinc/12/80/63/632128063.db2.gz DXRVXMAPIOPOHV-WOJBJXKFSA-N 0 3 321.424 3.304 20 30 DGEDHN C[C@@H](CC#N)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850760699 632218271 /nfs/dbraw/zinc/21/82/71/632218271.db2.gz CHJPWIMKLMJIAI-QPUJVOFHSA-N 0 3 324.167 3.191 20 30 DGEDHN CO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCC1 ZINC000851037879 632293103 /nfs/dbraw/zinc/29/31/03/632293103.db2.gz HFKGBZQFHMOGRR-FZMZJTMJSA-N 0 3 312.291 3.092 20 30 DGEDHN C#CCOCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000851822886 632503328 /nfs/dbraw/zinc/50/33/28/632503328.db2.gz BSBAOFAGZRQLNA-UHFFFAOYSA-N 0 3 318.804 3.310 20 30 DGEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000852099245 632554651 /nfs/dbraw/zinc/55/46/51/632554651.db2.gz HSKAWRDHEHIWEU-OGHNNQOOSA-N 0 3 306.837 3.297 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1c(Cl)ncnc1N(C)C ZINC000852303548 632583419 /nfs/dbraw/zinc/58/34/19/632583419.db2.gz SHLBBVRHUXRRFF-JSGCOSHPSA-N 0 3 308.857 3.421 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)[C@H](C)C1 ZINC000943482601 660189045 /nfs/dbraw/zinc/18/90/45/660189045.db2.gz PPCAZXLDGBJQJI-YJBCQJRQSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)[C@@H](C)C1 ZINC000943716957 660196690 /nfs/dbraw/zinc/19/66/90/660196690.db2.gz GXIBMDDZNIQCIL-ZFWWWQNUSA-N 0 3 306.837 3.275 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)[C@H](C)C1 ZINC000943716955 660196798 /nfs/dbraw/zinc/19/67/98/660196798.db2.gz GXIBMDDZNIQCIL-HIFRSBDPSA-N 0 3 306.837 3.275 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000943702629 660196970 /nfs/dbraw/zinc/19/69/70/660196970.db2.gz PXIOAFMIZMGHFL-YOEHRIQHSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000943702628 660197051 /nfs/dbraw/zinc/19/70/51/660197051.db2.gz PXIOAFMIZMGHFL-WMLDXEAASA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC000943744337 660197762 /nfs/dbraw/zinc/19/77/62/660197762.db2.gz HIDHINRTQSQNFF-QAPCUYQASA-N 0 3 312.457 3.058 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000944227355 660216083 /nfs/dbraw/zinc/21/60/83/660216083.db2.gz 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MCHFLIRSSYDLQQ-YOEHRIQHSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@]3(C)C=CCC3)CC[C@@H]2C1 ZINC000946720989 660578651 /nfs/dbraw/zinc/57/86/51/660578651.db2.gz PZLBUDCGBQJRRE-JZXOWHBKSA-N 0 3 322.880 3.266 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C(C)(C)C3CC3)CC[C@@H]2C1 ZINC000946726313 660578931 /nfs/dbraw/zinc/57/89/31/660578931.db2.gz MHONSACIFUZBMC-GASCZTMLSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2coc3cc(F)ccc32)C1 ZINC001033204873 660588301 /nfs/dbraw/zinc/58/83/01/660588301.db2.gz VCPUPBIFHQRMPE-AWEZNQCLSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)cc(OC)c2C)C1 ZINC001033236412 660595690 /nfs/dbraw/zinc/59/56/90/660595690.db2.gz DEYHYDVUYUPKRS-MRXNPFEDSA-N 0 3 316.445 3.034 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc3ccccc3cc2C)C1 ZINC001033280534 660603656 /nfs/dbraw/zinc/60/36/56/660603656.db2.gz VWBQTENWPNZUFZ-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001033389492 660618372 /nfs/dbraw/zinc/61/83/72/660618372.db2.gz PGEWPUWSSFZIOM-LJQANCHMSA-N 0 3 312.457 3.466 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2scnc2C(C)C)C1 ZINC001033484681 660626855 /nfs/dbraw/zinc/62/68/55/660626855.db2.gz RUSLPJHFESMJKJ-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001033447505 660622996 /nfs/dbraw/zinc/62/29/96/660622996.db2.gz WHJLKDDHUVMFFE-BDXSIMOUSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C(F)F)c2)C1 ZINC001033601006 660636978 /nfs/dbraw/zinc/63/69/78/660636978.db2.gz JSRHNUCKDHTFGK-HNNXBMFYSA-N 0 3 308.372 3.347 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2OC(C)C)C1 ZINC001033599621 660636545 /nfs/dbraw/zinc/63/65/45/660636545.db2.gz QVWSMDGNDMLPQF-INIZCTEOSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001033604014 660637606 /nfs/dbraw/zinc/63/76/06/660637606.db2.gz XRFVSEJDHQSHHZ-QZTJIDSGSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033684763 660649511 /nfs/dbraw/zinc/64/95/11/660649511.db2.gz IYIWFTRHAKPBML-GOSISDBHSA-N 0 3 312.457 3.135 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001033696540 660650832 /nfs/dbraw/zinc/65/08/32/660650832.db2.gz VJYVRJQKRIBJSJ-CZUORRHYSA-N 0 3 318.848 3.089 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033708734 660653155 /nfs/dbraw/zinc/65/31/55/660653155.db2.gz BJFOXRXJKLJISO-QGZVFWFLSA-N 0 3 312.457 3.135 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033820133 660667436 /nfs/dbraw/zinc/66/74/36/660667436.db2.gz JIGDAXPXJOOZJX-ZDUSSCGKSA-N 0 3 310.438 3.390 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC001005380097 660667449 /nfs/dbraw/zinc/66/74/49/660667449.db2.gz BZYABGOCGPPKAM-UKRRQHHQSA-N 0 3 302.418 3.125 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033852705 660671169 /nfs/dbraw/zinc/67/11/69/660671169.db2.gz ZIRFMWCXXUQPQX-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033857201 660672085 /nfs/dbraw/zinc/67/20/85/660672085.db2.gz BFGLTWNYECVMQG-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001033877567 660672939 /nfs/dbraw/zinc/67/29/39/660672939.db2.gz CQHRRAXTCDCGHB-ICSRJNTNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033877330 660672964 /nfs/dbraw/zinc/67/29/64/660672964.db2.gz BLSSYHDLSDHHTP-IXDOHACOSA-N 0 3 318.486 3.351 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001033877571 660673192 /nfs/dbraw/zinc/67/31/92/660673192.db2.gz CQHRRAXTCDCGHB-QUCCMNQESA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033890892 660674499 /nfs/dbraw/zinc/67/44/99/660674499.db2.gz UTGYCSCEDYAPIY-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033966068 660685855 /nfs/dbraw/zinc/68/58/55/660685855.db2.gz CVBWHBGFRFVOTR-KRWDZBQOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc3ccncc32)C1 ZINC001034004148 660695192 /nfs/dbraw/zinc/69/51/92/660695192.db2.gz KABWBYMYJFSCNZ-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C(F)F)cc2)C1 ZINC001033992579 660691161 /nfs/dbraw/zinc/69/11/61/660691161.db2.gz SUOPAQNJOQCXME-MRXNPFEDSA-N 0 3 320.383 3.184 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccn2C(C)C)C1 ZINC001034042065 660700888 /nfs/dbraw/zinc/70/08/88/660700888.db2.gz NCXSTMWMFCOELD-INIZCTEOSA-N 0 3 303.450 3.182 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001034047910 660701511 /nfs/dbraw/zinc/70/15/11/660701511.db2.gz QBTKKRSEFPBJED-QGZVFWFLSA-N 0 3 324.468 3.043 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034051060 660702641 /nfs/dbraw/zinc/70/26/41/660702641.db2.gz RTOFENPITZFKAJ-OFLPRAFFSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034029524 660695968 /nfs/dbraw/zinc/69/59/68/660695968.db2.gz RJKVDMRMKIDEBT-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@@H](NC(=O)C3=CCCC3)C2)cc1 ZINC001034158150 660717913 /nfs/dbraw/zinc/71/79/13/660717913.db2.gz FVEGWOHSKCMCPA-LJQANCHMSA-N 0 3 323.440 3.139 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001034241247 660728677 /nfs/dbraw/zinc/72/86/77/660728677.db2.gz XBRGOIGPMNOZPU-AWEZNQCLSA-N 0 3 323.387 3.180 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001034260450 660729140 /nfs/dbraw/zinc/72/91/40/660729140.db2.gz KXRQTZGMBJIASJ-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001034274474 660731507 /nfs/dbraw/zinc/73/15/07/660731507.db2.gz NJZUHJKQIVFINC-CQSZACIVSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001034296411 660733782 /nfs/dbraw/zinc/73/37/82/660733782.db2.gz JUEJJSISDZJDIC-INIZCTEOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001034299740 660734254 /nfs/dbraw/zinc/73/42/54/660734254.db2.gz DDYFOTLELDYXFO-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001034303002 660734853 /nfs/dbraw/zinc/73/48/53/660734853.db2.gz SXKLYWNRTRXKLD-GOSISDBHSA-N 0 3 323.440 3.248 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@@H]1C ZINC000947963584 660735301 /nfs/dbraw/zinc/73/53/01/660735301.db2.gz VBWAHDQAPPVGND-HNAYVOBHSA-N 0 3 306.409 3.056 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001034338046 660738651 /nfs/dbraw/zinc/73/86/51/660738651.db2.gz KROKWKZSJGGABU-CQSZACIVSA-N 0 3 317.458 3.390 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001034372991 660742731 /nfs/dbraw/zinc/74/27/31/660742731.db2.gz QHVANPZMEFRSIX-AEFFLSMTSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001034375680 660743527 /nfs/dbraw/zinc/74/35/27/660743527.db2.gz DLCLYKKFZZKTJX-GOSISDBHSA-N 0 3 314.473 3.311 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001034411553 660749538 /nfs/dbraw/zinc/74/95/38/660749538.db2.gz SFBBVOVYHNBPDU-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034411680 660749963 /nfs/dbraw/zinc/74/99/63/660749963.db2.gz VBWJWNAPPGRFPE-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001034413590 660750010 /nfs/dbraw/zinc/75/00/10/660750010.db2.gz NNJCUISELLBFBT-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001034414795 660750464 /nfs/dbraw/zinc/75/04/64/660750464.db2.gz DTXBNUPGBIBBDL-CYBMUJFWSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001034443733 660754747 /nfs/dbraw/zinc/75/47/47/660754747.db2.gz YXRHRQTZQUMHQW-GBESFXJTSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001034460327 660756570 /nfs/dbraw/zinc/75/65/70/660756570.db2.gz YTIMZSAXXBJMBJ-GOSISDBHSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034499257 660761397 /nfs/dbraw/zinc/76/13/97/660761397.db2.gz SKRSCNGTMNIQAI-CEXWTWQISA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001034483704 660761407 /nfs/dbraw/zinc/76/14/07/660761407.db2.gz UBQSRMLMOIGIIY-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034500813 660762245 /nfs/dbraw/zinc/76/22/45/660762245.db2.gz PHQABKUWEGHRFS-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC001034511797 660764701 /nfs/dbraw/zinc/76/47/01/660764701.db2.gz MMWYNMCHXWBDKC-MRXNPFEDSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001034532602 660767592 /nfs/dbraw/zinc/76/75/92/660767592.db2.gz OFRBESZDFGKHLG-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001034535151 660769518 /nfs/dbraw/zinc/76/95/18/660769518.db2.gz CAQNSIYCBKYPNF-DLBZAZTESA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001034548715 660773111 /nfs/dbraw/zinc/77/31/11/660773111.db2.gz SJMBMDGDQAEYDA-KRWDZBQOSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc3ccc(C)nc32)CC1 ZINC001005563291 660773126 /nfs/dbraw/zinc/77/31/26/660773126.db2.gz VCXVFXUBLPQAOH-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)cc2F)CC1 ZINC001005682795 660788304 /nfs/dbraw/zinc/78/83/04/660788304.db2.gz XVYYJWOMOASMDJ-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C(CC)CC)no2)CC1 ZINC001045578760 660791045 /nfs/dbraw/zinc/79/10/45/660791045.db2.gz QGRXHZMAKJVIFC-UHFFFAOYSA-N 0 3 319.449 3.349 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC001005727195 660794742 /nfs/dbraw/zinc/79/47/42/660794742.db2.gz ASWGCRMAESBASM-AZUAARDMSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001035013829 660809022 /nfs/dbraw/zinc/80/90/22/660809022.db2.gz HOEROAIBDRWXGH-OAHLLOKOSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cncc(C)c1 ZINC001035035858 660810745 /nfs/dbraw/zinc/81/07/45/660810745.db2.gz SGJPTQJKWDTGRS-IEBWSBKVSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CCC(F)CC1)CC2 ZINC001035783943 660851300 /nfs/dbraw/zinc/85/13/00/660851300.db2.gz SABPUQCTULVFBY-UHFFFAOYSA-N 0 3 308.441 3.015 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)CC2 ZINC001035826934 660854083 /nfs/dbraw/zinc/85/40/83/660854083.db2.gz KUXTZBHYEFFFFG-QZTJIDSGSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)ccc1F)CC2 ZINC001035806089 660854625 /nfs/dbraw/zinc/85/46/25/660854625.db2.gz SUPYMBMSJQTJMV-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC001035815072 660855342 /nfs/dbraw/zinc/85/53/42/660855342.db2.gz WTKVXPCTJFFKSV-MOPGFXCFSA-N 0 3 324.468 3.291 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@]1(CC)C(C)C)CC2 ZINC001035829465 660856686 /nfs/dbraw/zinc/85/66/86/660856686.db2.gz ZOWUYZCMTPHLOK-XLIONFOSSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCc1ccc(C)o1)CC2 ZINC001035857192 660860299 /nfs/dbraw/zinc/86/02/99/660860299.db2.gz ZWRCCXYWTXFKTK-UHFFFAOYSA-N 0 3 316.445 3.021 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C)CCC(C)CC1)CC2 ZINC001035861732 660861074 /nfs/dbraw/zinc/86/10/74/660861074.db2.gz PKCOJQLUSVZBDE-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(C)cccc1F)CC2 ZINC001035862231 660861130 /nfs/dbraw/zinc/86/11/30/660861130.db2.gz AIVYFBJMOBYFDW-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC001005803465 660892252 /nfs/dbraw/zinc/89/22/52/660892252.db2.gz OFGWTRJMWKIFDU-UHFFFAOYSA-N 0 3 315.392 3.029 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001005888545 660946923 /nfs/dbraw/zinc/94/69/23/660946923.db2.gz WCMZSAWJMLQOQU-STQMWFEESA-N 0 3 318.383 3.074 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccccc2CC)CC1 ZINC001005895317 660947841 /nfs/dbraw/zinc/94/78/41/660947841.db2.gz CMTAGSQSBNOBDG-UHFFFAOYSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC[C@@H]2C1 ZINC000946843359 660943778 /nfs/dbraw/zinc/94/37/78/660943778.db2.gz YMGMZHBQSZMWTP-YYIAUSFCSA-N 0 3 324.896 3.201 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC001006036741 660957933 /nfs/dbraw/zinc/95/79/33/660957933.db2.gz BFPCDVNZTWEVAQ-IAGOWNOFSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C)c(F)c2F)CC1 ZINC001006039728 660958124 /nfs/dbraw/zinc/95/81/24/660958124.db2.gz TUUXOTVTAGZFAJ-UHFFFAOYSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccc(F)cc23)C[C@@H]1C ZINC000947975797 660959637 /nfs/dbraw/zinc/95/96/37/660959637.db2.gz QCHQFOWOKKVMPV-JSGCOSHPSA-N 0 3 316.376 3.341 20 30 DGEDHN CC(C)CN(CC(C)C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793468455 661037529 /nfs/dbraw/zinc/03/75/29/661037529.db2.gz JYMSQHROHGKBED-UHFFFAOYSA-N 0 3 315.461 3.170 20 30 DGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNCc1cccc(C)c1 ZINC000794917526 661113391 /nfs/dbraw/zinc/11/33/91/661113391.db2.gz CURXMINDJNLWGG-UHFFFAOYSA-N 0 3 319.412 3.195 20 30 DGEDHN CC(C)c1ccc([C@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000795103585 661127056 /nfs/dbraw/zinc/12/70/56/661127056.db2.gz MTHNVEQPTZQESE-GOSISDBHSA-N 0 3 301.434 3.127 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000795336150 661141274 /nfs/dbraw/zinc/14/12/74/661141274.db2.gz XVRNTTMFHMFMJM-ICSRJNTNSA-N 0 3 318.420 3.016 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000969111826 655523510 /nfs/dbraw/zinc/52/35/10/655523510.db2.gz UKWYWICYBRCLCE-OAHLLOKOSA-N 0 3 304.434 3.311 20 30 DGEDHN N#CC(C(=O)CCC(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000049458966 655524029 /nfs/dbraw/zinc/52/40/29/655524029.db2.gz KZKOEHMZEPXPSU-ZDUSSCGKSA-N 0 3 314.291 3.199 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001020393981 655525510 /nfs/dbraw/zinc/52/55/10/655525510.db2.gz UPNJANRHTSIUHC-BRWVUGGUSA-N 0 3 318.848 3.170 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)C)C[C@H]1C ZINC000947371051 655535038 /nfs/dbraw/zinc/53/50/38/655535038.db2.gz XUDSBHRHLKUSEA-IAGOWNOFSA-N 0 3 312.457 3.416 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)C2=CCCC2)CCN1Cc1ccc(C#N)cc1 ZINC000947190461 655540172 /nfs/dbraw/zinc/54/01/72/655540172.db2.gz CGCYDWLAUYIWOB-DNVCBOLYSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCOCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000795517316 661156881 /nfs/dbraw/zinc/15/68/81/661156881.db2.gz HEOBCJMZPFJHFH-UHFFFAOYSA-N 0 3 317.429 3.035 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC000969569892 655550973 /nfs/dbraw/zinc/55/09/73/655550973.db2.gz DQSVHBVTBHVRHF-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000969584821 655551604 /nfs/dbraw/zinc/55/16/04/655551604.db2.gz NXNWIJNCRQEEJJ-TZMCWYRMSA-N 0 3 322.399 3.429 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970115059 655576727 /nfs/dbraw/zinc/57/67/27/655576727.db2.gz BMUKYLRRCRXZIV-OAHLLOKOSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3c(s2)CCCC3)C1 ZINC001021014451 655586688 /nfs/dbraw/zinc/58/66/88/655586688.db2.gz ZUNYEVDZDCWRES-JOCQHMNTSA-N 0 3 324.877 3.230 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)cc1 ZINC000970252789 655590383 /nfs/dbraw/zinc/59/03/83/655590383.db2.gz IGJAEYSQMHMAEC-INIZCTEOSA-N 0 3 322.452 3.218 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(F)ccc2Cl)C1 ZINC000970482401 655602309 /nfs/dbraw/zinc/60/23/09/655602309.db2.gz LUUVPTBJSXOJMS-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000970623407 655609972 /nfs/dbraw/zinc/60/99/72/655609972.db2.gz QGXSALFZCYFKCH-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccsc2C)C1 ZINC001039200254 655612347 /nfs/dbraw/zinc/61/23/47/655612347.db2.gz JBVRIKAOHBBECN-WBVHZDCISA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(C3CCCC3)c2)C1 ZINC000970742234 655615593 /nfs/dbraw/zinc/61/55/93/655615593.db2.gz WNHOUVLXRKUCPP-INIZCTEOSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2(C)CCCC2)C1 ZINC001039222030 655625327 /nfs/dbraw/zinc/62/53/27/655625327.db2.gz YZVGEJCIFVZNED-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC2(C)CCCC2)C1 ZINC001039222033 655625444 /nfs/dbraw/zinc/62/54/44/655625444.db2.gz YZVGEJCIFVZNED-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C=C2CCCCC2)C1 ZINC001021536755 655625909 /nfs/dbraw/zinc/62/59/09/655625909.db2.gz SZWLUHDNSDGMMO-RBUKOAKNSA-N 0 3 314.473 3.213 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC000970839857 655628641 /nfs/dbraw/zinc/62/86/41/655628641.db2.gz FLHJTNBSOAQPRI-HNNXBMFYSA-N 0 3 316.445 3.100 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)C[C@H]1C ZINC000947411124 655631823 /nfs/dbraw/zinc/63/18/23/655631823.db2.gz DLNWILRCANEXKC-NEPJUHHUSA-N 0 3 312.360 3.294 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C(F)=C2CCCC2)C1 ZINC001021564483 655633436 /nfs/dbraw/zinc/63/34/36/655633436.db2.gz YWXFYRYJYJQVIX-IAGOWNOFSA-N 0 3 318.436 3.120 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CC(c3ccccc3)C2)C1 ZINC000970961263 655643506 /nfs/dbraw/zinc/64/35/06/655643506.db2.gz ASDBCGUJEYOHCA-FAEJEUNOSA-N 0 3 312.457 3.193 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(CCC)cc2)C1 ZINC001021660439 655650847 /nfs/dbraw/zinc/65/08/47/655650847.db2.gz ZVKXEBSTLRWVNK-PMACEKPBSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCC1(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCC1 ZINC000933301113 655698433 /nfs/dbraw/zinc/69/84/33/655698433.db2.gz BUHKOFFITCHGLJ-UHFFFAOYSA-N 0 3 323.440 3.086 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCC1 ZINC000933300176 655698436 /nfs/dbraw/zinc/69/84/36/655698436.db2.gz SOIVIPGLVLWBOC-NSHDSACASA-N 0 3 308.784 3.342 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000933494508 655716357 /nfs/dbraw/zinc/71/63/57/655716357.db2.gz ONOKUIZYXNUVKH-CABCVRRESA-N 0 3 316.445 3.085 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2CCCC#N ZINC000933499291 655716480 /nfs/dbraw/zinc/71/64/80/655716480.db2.gz ULDLDUHLEYLHDX-RHSMWYFYSA-N 0 3 307.438 3.059 20 30 DGEDHN C=CCCCCCCCCNC(=O)N1CCN2CCC1CC2 ZINC000806080506 661177200 /nfs/dbraw/zinc/17/72/00/661177200.db2.gz GFSGAJGEJFHSHQ-UHFFFAOYSA-N 0 3 307.482 3.393 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3sccc3s2)C1 ZINC000971794734 655727010 /nfs/dbraw/zinc/72/70/10/655727010.db2.gz LSUHNUOOWJRSJF-LLVKDONJSA-N 0 3 306.456 3.295 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000971820787 655731217 /nfs/dbraw/zinc/73/12/17/655731217.db2.gz HQPPOJRPQFPWHF-KVZIAJEVSA-N 0 3 312.457 3.289 20 30 DGEDHN C[C@@H](NC(=O)Nc1ccc(C#N)cc1C1CC1)C1=CCN(C)CC1 ZINC000933846853 655735921 /nfs/dbraw/zinc/73/59/21/655735921.db2.gz FXCUUNFTQIFTSR-CYBMUJFWSA-N 0 3 324.428 3.208 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC000971921985 655748462 /nfs/dbraw/zinc/74/84/62/655748462.db2.gz IECKKOSJTYVYND-INIZCTEOSA-N 0 3 312.388 3.311 20 30 DGEDHN CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974504 655753986 /nfs/dbraw/zinc/75/39/86/655753986.db2.gz LDHQSKXAXXFMDU-UHFFFAOYSA-N 0 3 309.413 3.374 20 30 DGEDHN CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974504 655753987 /nfs/dbraw/zinc/75/39/87/655753987.db2.gz LDHQSKXAXXFMDU-UHFFFAOYSA-N 0 3 309.413 3.374 20 30 DGEDHN CN(CCN=Cc1cc2ccccc2[nH]c1=O)Cc1ccccc1 ZINC000255481054 655765022 /nfs/dbraw/zinc/76/50/22/655765022.db2.gz VGSBENBMRIVVPK-STZFKDTASA-N 0 3 319.408 3.491 20 30 DGEDHN CN1CCN(c2ccc(NCC(C)(C)CCC#N)cc2)CC1 ZINC000158120288 655773477 /nfs/dbraw/zinc/77/34/77/655773477.db2.gz POMBZDUWWNJVSH-UHFFFAOYSA-N 0 3 300.450 3.180 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000972227911 655780976 /nfs/dbraw/zinc/78/09/76/655780976.db2.gz OOLITLNCAMOSBN-CZUORRHYSA-N 0 3 306.837 3.162 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000972245066 655782206 /nfs/dbraw/zinc/78/22/06/655782206.db2.gz JLQBCZNTYLMSMJ-IEBWSBKVSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972246590 655782520 /nfs/dbraw/zinc/78/25/20/655782520.db2.gz PRNQVQJBZWPOOD-MJGOQNOKSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3)C2)C1 ZINC000972276126 655784851 /nfs/dbraw/zinc/78/48/51/655784851.db2.gz RULUXUCBGSVYIR-KRWDZBQOSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001022778833 655785981 /nfs/dbraw/zinc/78/59/81/655785981.db2.gz WLBULZQAYOCNBT-BETUJISGSA-N 0 3 324.852 3.488 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000972439572 655798896 /nfs/dbraw/zinc/79/88/96/655798896.db2.gz DQPGJHZSCFTOCS-ZDUSSCGKSA-N 0 3 312.866 3.053 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOCC(F)(F)F)c([O-])c1 ZINC000121797797 655800554 /nfs/dbraw/zinc/80/05/54/655800554.db2.gz SBLMZFIDUCLHQQ-VXLYETTFSA-N 0 3 318.339 3.236 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2C(F)F)C1 ZINC001023033766 655810117 /nfs/dbraw/zinc/81/01/17/655810117.db2.gz PKLLITMWONNTRC-DTORHVGOSA-N 0 3 320.792 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001023056395 655811323 /nfs/dbraw/zinc/81/13/23/655811323.db2.gz RMTAOUADVBKISW-BETUJISGSA-N 0 3 318.804 3.344 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000972522486 655815979 /nfs/dbraw/zinc/81/59/79/655815979.db2.gz MSMXSXDDXBZORP-IXDOHACOSA-N 0 3 318.848 3.162 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)c1coc2ccc(CC)cc12 ZINC001038264659 655822997 /nfs/dbraw/zinc/82/29/97/655822997.db2.gz XIIIKXHMVQAINV-HNNXBMFYSA-N 0 3 312.413 3.375 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(Cl)c2C)C1 ZINC001023384961 655830685 /nfs/dbraw/zinc/83/06/85/655830685.db2.gz QTRZRVDHPVRWAO-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@H]1C ZINC000947567216 655841770 /nfs/dbraw/zinc/84/17/70/655841770.db2.gz BORUEKJQWMNRTL-AEFFLSMTSA-N 0 3 324.468 3.478 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001023608725 655847516 /nfs/dbraw/zinc/84/75/16/655847516.db2.gz DTEXLPUHQRGWGF-MRXNPFEDSA-N 0 3 322.408 3.022 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001023670267 655854050 /nfs/dbraw/zinc/85/40/50/655854050.db2.gz OMKJJHPQQPFLRL-GUDVDZBRSA-N 0 3 318.505 3.300 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001023734208 655859696 /nfs/dbraw/zinc/85/96/96/655859696.db2.gz XSSAKVKVSULFLH-AOCRQIFASA-N 0 3 318.505 3.300 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001023763061 655863021 /nfs/dbraw/zinc/86/30/21/655863021.db2.gz BGDNUZKYIZYQKR-MRXNPFEDSA-N 0 3 324.424 3.125 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001023770586 655863902 /nfs/dbraw/zinc/86/39/02/655863902.db2.gz DPWALZUJYCTRDK-OAHLLOKOSA-N 0 3 324.424 3.070 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001023781508 655865143 /nfs/dbraw/zinc/86/51/43/655865143.db2.gz PCZKYFSIICXKCG-QGZVFWFLSA-N 0 3 322.452 3.329 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C3CC3)nc2C)C[C@@H]1C ZINC000947301135 655866020 /nfs/dbraw/zinc/86/60/20/655866020.db2.gz OGSIJUPNRYPFQI-SMDDNHRTSA-N 0 3 319.474 3.098 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C3CC3)nc2C)C[C@H]1C ZINC000947301132 655866075 /nfs/dbraw/zinc/86/60/75/655866075.db2.gz OGSIJUPNRYPFQI-BXUZGUMPSA-N 0 3 319.474 3.098 20 30 DGEDHN CC(C)(C)OC(=O)N(CCNCc1ccc(C#N)s1)C1CC1 ZINC000176961540 655884863 /nfs/dbraw/zinc/88/48/63/655884863.db2.gz WBCHRJNEZXPKKE-UHFFFAOYSA-N 0 3 321.446 3.109 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1scnc1C ZINC001024344937 655901978 /nfs/dbraw/zinc/90/19/78/655901978.db2.gz LGPFPJHHLXYXCI-CQSZACIVSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001036791899 661201744 /nfs/dbraw/zinc/20/17/44/661201744.db2.gz GSOOFPBITGTYRO-DNWYELSFSA-N 0 3 310.869 3.264 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1coc2c1cccc2C ZINC001024482358 655909370 /nfs/dbraw/zinc/90/93/70/655909370.db2.gz DKVNOFBJHLGTLU-MRXNPFEDSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001024479529 655909543 /nfs/dbraw/zinc/90/95/43/655909543.db2.gz IVEKFKYKLIZVFF-KRWDZBQOSA-N 0 3 315.461 3.365 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001024482356 655909579 /nfs/dbraw/zinc/90/95/79/655909579.db2.gz DKVNOFBJHLGTLU-INIZCTEOSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001024484949 655909898 /nfs/dbraw/zinc/90/98/98/655909898.db2.gz DRAFAQGHWQLSIX-AWEZNQCLSA-N 0 3 321.852 3.204 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001024489811 655910175 /nfs/dbraw/zinc/91/01/75/655910175.db2.gz DZXMWMHGNYUPOC-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001024508880 655912219 /nfs/dbraw/zinc/91/22/19/655912219.db2.gz NRZWDWDABSTSNB-QUCCMNQESA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001024540293 655914696 /nfs/dbraw/zinc/91/46/96/655914696.db2.gz BKXYTKZPSYNBBP-HNNXBMFYSA-N 0 3 311.429 3.247 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001024625688 655925455 /nfs/dbraw/zinc/92/54/55/655925455.db2.gz RJEVWBRLUIVEBN-LJQANCHMSA-N 0 3 312.457 3.247 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001024754494 655935687 /nfs/dbraw/zinc/93/56/87/655935687.db2.gz UOWGRZNXCJYBCK-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024773385 655937302 /nfs/dbraw/zinc/93/73/02/655937302.db2.gz DZCSOHKBAPRKFF-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786718 655938675 /nfs/dbraw/zinc/93/86/75/655938675.db2.gz OWPYCQUXSFJNDV-SFHVURJKSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001024802884 655940551 /nfs/dbraw/zinc/94/05/51/655940551.db2.gz CCKAKLTWXIWHNE-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1sccc1CC ZINC001024814750 655941326 /nfs/dbraw/zinc/94/13/26/655941326.db2.gz XBIHSBWYHILTPA-OAHLLOKOSA-N 0 3 306.475 3.471 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001024816086 655942170 /nfs/dbraw/zinc/94/21/70/655942170.db2.gz BAVWKEYBDGPDAR-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC001025184210 655973523 /nfs/dbraw/zinc/97/35/23/655973523.db2.gz OOZODSRYDSLKNO-WOJBJXKFSA-N 0 3 324.468 3.294 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199302 655976537 /nfs/dbraw/zinc/97/65/37/655976537.db2.gz VJWOCCAUZBIJER-SJORKVTESA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196748 655976754 /nfs/dbraw/zinc/97/67/54/655976754.db2.gz ZUMGDEGWEVEOMH-MOPGFXCFSA-N 0 3 310.441 3.087 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025196307 655976811 /nfs/dbraw/zinc/97/68/11/655976811.db2.gz SPBVXLOTQPPLGN-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196407 655976978 /nfs/dbraw/zinc/97/69/78/655976978.db2.gz UNXUGSBHAZTPLK-OALUTQOASA-N 0 3 310.441 3.087 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025197136 655977428 /nfs/dbraw/zinc/97/74/28/655977428.db2.gz GRIQNCBHITWYLI-SJORKVTESA-N 0 3 314.429 3.070 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025198368 655977558 /nfs/dbraw/zinc/97/75/58/655977558.db2.gz OSDYOBFWXBOQPS-HZPDHXFCSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001025209194 655979086 /nfs/dbraw/zinc/97/90/86/655979086.db2.gz KLRSJAPECHIESH-RBUKOAKNSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001025215275 655979683 /nfs/dbraw/zinc/97/96/83/655979683.db2.gz LCRHBJBBNDLGRW-HOTGVXAUSA-N 0 3 316.489 3.147 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cscc1C ZINC001025219032 655979822 /nfs/dbraw/zinc/97/98/22/655979822.db2.gz RUNJGKLDYVKJNP-SJORKVTESA-N 0 3 316.470 3.149 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025215612 655979835 /nfs/dbraw/zinc/97/98/35/655979835.db2.gz BPBCRECKPVPTCS-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001007528005 655981726 /nfs/dbraw/zinc/98/17/26/655981726.db2.gz QJEBSCOVFGGOHH-FHWLQOOXSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001025230010 655982220 /nfs/dbraw/zinc/98/22/20/655982220.db2.gz RUNITQVTTDMHSR-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C(=C)C ZINC001025258969 655984966 /nfs/dbraw/zinc/98/49/66/655984966.db2.gz MBAGHRUCCBZDFU-IAGOWNOFSA-N 0 3 302.462 3.067 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1csc(C)n1 ZINC001025258235 655985162 /nfs/dbraw/zinc/98/51/62/655985162.db2.gz DWFHCEUPMOVJAG-HOTGVXAUSA-N 0 3 319.474 3.097 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CC)CCC1 ZINC001025259554 655985179 /nfs/dbraw/zinc/98/51/79/655985179.db2.gz OMHTZPBBOIWDFZ-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258865 655985185 /nfs/dbraw/zinc/98/51/85/655985185.db2.gz KEORNHVAXKDKDN-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CCCC1 ZINC001025254015 655985530 /nfs/dbraw/zinc/98/55/30/655985530.db2.gz CXWPONJEQMUQPP-IAGOWNOFSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266025 655986475 /nfs/dbraw/zinc/98/64/75/655986475.db2.gz IHVWJDSRRVELAJ-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1CC ZINC001025261124 655986615 /nfs/dbraw/zinc/98/66/15/655986615.db2.gz UCFRMHZHKJFCPM-WOJBJXKFSA-N 0 3 324.468 3.341 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#CC ZINC001025260600 655986638 /nfs/dbraw/zinc/98/66/38/655986638.db2.gz YNJQDKXUALBKRE-SJORKVTESA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001025261849 655986806 /nfs/dbraw/zinc/98/68/06/655986806.db2.gz YJQYRSXCADLPMW-MSOLQXFVSA-N 0 3 316.489 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CC)CCC1 ZINC001025261531 655987015 /nfs/dbraw/zinc/98/70/15/655987015.db2.gz WNUCRCCOHYKOND-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC001025420808 656009143 /nfs/dbraw/zinc/00/91/43/656009143.db2.gz VYOYOLQIOSBAFX-CRAIPNDOSA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC001025521382 656028896 /nfs/dbraw/zinc/02/88/96/656028896.db2.gz ZTSXKINEYJCADG-STQMWFEESA-N 0 3 324.371 3.071 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2CCC)C1 ZINC001025592223 656041098 /nfs/dbraw/zinc/04/10/98/656041098.db2.gz LVACWGOOGGYCHX-JKSUJKDBSA-N 0 3 316.445 3.086 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2oc(CC)cc2C)C1 ZINC001025595431 656041678 /nfs/dbraw/zinc/04/16/78/656041678.db2.gz ODXAXCKCEBDEMI-HZPDHXFCSA-N 0 3 316.445 3.004 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC001025596166 656042577 /nfs/dbraw/zinc/04/25/77/656042577.db2.gz YJIADWVXRBFCDI-DZGCQCFKSA-N 0 3 316.470 3.089 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3ccccc3c2)C1 ZINC001025602590 656044244 /nfs/dbraw/zinc/04/42/44/656044244.db2.gz JCMXOJXIRXFAQL-JXFKEZNVSA-N 0 3 320.436 3.303 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001025603089 656044809 /nfs/dbraw/zinc/04/48/09/656044809.db2.gz QKXHDZAOGINGPV-QFBILLFUSA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC001025614123 656047742 /nfs/dbraw/zinc/04/77/42/656047742.db2.gz GPTUWDYRGHEBSY-XJKSGUPXSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC001025630785 656052275 /nfs/dbraw/zinc/05/22/75/656052275.db2.gz WCCKBXYKTGCMAL-FFEBTUMSSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC001025634144 656053454 /nfs/dbraw/zinc/05/34/54/656053454.db2.gz ZRFLZBFXZSQNRH-CVEARBPZSA-N 0 3 316.445 3.257 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3occc3c2)C(C)(C)C1 ZINC000974615798 656216407 /nfs/dbraw/zinc/21/64/07/656216407.db2.gz ARYITMDYZJLJGR-QGZVFWFLSA-N 0 3 312.413 3.449 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(CCC)c2)C(C)(C)C1 ZINC000974718405 656224816 /nfs/dbraw/zinc/22/48/16/656224816.db2.gz VISIEWVERRPOML-QGZVFWFLSA-N 0 3 315.461 3.050 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C(C)(C)C1 ZINC000974738617 656227146 /nfs/dbraw/zinc/22/71/46/656227146.db2.gz JEACFXHFYPJIFG-INIZCTEOSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)ccc2OC)C(C)(C)C1 ZINC000974791146 656230194 /nfs/dbraw/zinc/23/01/94/656230194.db2.gz OHIUNGTXQHEXAT-QGZVFWFLSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3ccsc3[nH]2)C(C)(C)C1 ZINC000974894689 656239052 /nfs/dbraw/zinc/23/90/52/656239052.db2.gz MBGWPUPZCONJII-CQSZACIVSA-N 0 3 317.458 3.246 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)C1 ZINC000975024932 656249360 /nfs/dbraw/zinc/24/93/60/656249360.db2.gz HPWSSQQCNOMINH-KRWDZBQOSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)cc(F)c2)C(C)(C)C1 ZINC000975063366 656252577 /nfs/dbraw/zinc/25/25/77/656252577.db2.gz IJRFMVNHFPJOAH-INIZCTEOSA-N 0 3 304.409 3.150 20 30 DGEDHN CC(C)CC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027277126 656278390 /nfs/dbraw/zinc/27/83/90/656278390.db2.gz WHILLZPAXADBKG-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C(C)(C)C1 ZINC000977212075 656316774 /nfs/dbraw/zinc/31/67/74/656316774.db2.gz 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ZCIFTBGDBGRXJL-JKSUJKDBSA-N 0 3 316.445 3.405 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1oc(CC)cc1C ZINC001049850592 656698358 /nfs/dbraw/zinc/69/83/58/656698358.db2.gz SKPDAQMUORWBQS-JKSUJKDBSA-N 0 3 302.418 3.015 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1OC ZINC001049853444 656698942 /nfs/dbraw/zinc/69/89/42/656698942.db2.gz AESXECYPVUEQMR-KGLIPLIRSA-N 0 3 320.458 3.012 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2ccccc2o1 ZINC001049872310 656707039 /nfs/dbraw/zinc/70/70/39/656707039.db2.gz RECYRKLAXIXEIX-DLBZAZTESA-N 0 3 322.408 3.135 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)cc(C)cc1C ZINC001049880531 656712231 /nfs/dbraw/zinc/71/22/31/656712231.db2.gz GAOPBBFATMYUTR-QZTJIDSGSA-N 0 3 312.457 3.477 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2ccccc2[nH]1 ZINC001049883134 656712988 /nfs/dbraw/zinc/71/29/88/656712988.db2.gz HMHPXUJCLYYPIF-ROUUACIJSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc4occc4c3)C[C@@H]21 ZINC001042068465 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C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1C(C)C ZINC001049918790 656722904 /nfs/dbraw/zinc/72/29/04/656722904.db2.gz TWTKFUQHGBUTCN-CVEARBPZSA-N 0 3 302.418 3.268 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)C[C@@H]21 ZINC001042141552 656726479 /nfs/dbraw/zinc/72/64/79/656726479.db2.gz GRNKMSGACDJBOV-WBMJQRKESA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)c3cccs3)C[C@@H]21 ZINC001042186135 656731906 /nfs/dbraw/zinc/73/19/06/656731906.db2.gz DIMKYPACYDRVGJ-CABCVRRESA-N 0 3 318.486 3.135 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001052666432 656742862 /nfs/dbraw/zinc/74/28/62/656742862.db2.gz VAPNJDFJWZOEFX-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@@H]21 ZINC001042273851 656747170 /nfs/dbraw/zinc/74/71/70/656747170.db2.gz VIRHGOCSTPOJAE-HOCLYGCPSA-N 0 3 318.848 3.371 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2c(C)cccc2Cl)CC1 ZINC001052682384 656747980 /nfs/dbraw/zinc/74/79/80/656747980.db2.gz TVDYEQUKKOCJEM-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@@H]21 ZINC001042302074 656749881 /nfs/dbraw/zinc/74/98/81/656749881.db2.gz QFBBATHPZHIAJF-XLIONFOSSA-N 0 3 324.468 3.370 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc4c(c3)CCC=C4)C[C@H]21 ZINC001042316666 656751391 /nfs/dbraw/zinc/75/13/91/656751391.db2.gz QNMLJBKTWXMVIL-FXAWDEMLSA-N 0 3 322.452 3.368 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)CCC3CCCCC3)C[C@@H]21 ZINC001042333532 656756202 /nfs/dbraw/zinc/75/62/02/656756202.db2.gz PIVRFQOUUJJFBQ-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)c3ccccc3)C[C@@H]21 ZINC001042343983 656761293 /nfs/dbraw/zinc/76/12/93/656761293.db2.gz QCVLYKWMEBVSRT-WMZOPIPTSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)C1 ZINC000981768035 656764552 /nfs/dbraw/zinc/76/45/52/656764552.db2.gz BEGGVRPCSKSGHG-MRXNPFEDSA-N 0 3 302.462 3.067 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc4cccc(C)c4o3)C[C@@H]21 ZINC001042370462 656765963 /nfs/dbraw/zinc/76/59/63/656765963.db2.gz DOHZWLRJAVCEFH-WBVHZDCISA-N 0 3 324.424 3.464 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC001052786076 656768473 /nfs/dbraw/zinc/76/84/73/656768473.db2.gz ODOYTBQVOWNCEC-YSIASYRMSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3coc4ccccc34)C[C@H]21 ZINC001042379261 656769875 /nfs/dbraw/zinc/76/98/75/656769875.db2.gz IVOGTXHNCVRQCB-WMLDXEAASA-N 0 3 310.397 3.155 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)C[C@@H]21 ZINC001042382444 656769969 /nfs/dbraw/zinc/76/99/69/656769969.db2.gz JCVVPEUEPYYCKY-MSOLQXFVSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(Cl)ccc2C)CC1 ZINC001052799856 656770535 /nfs/dbraw/zinc/77/05/35/656770535.db2.gz XKHLFDXKEOTVNP-INIZCTEOSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001052867646 656779270 /nfs/dbraw/zinc/77/92/70/656779270.db2.gz NADUBXBPDQRYTB-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001052877722 656780538 /nfs/dbraw/zinc/78/05/38/656780538.db2.gz UADMRXWYMPOECW-MJGOQNOKSA-N 0 3 312.457 3.093 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001052886140 656783427 /nfs/dbraw/zinc/78/34/27/656783427.db2.gz HCWWTAXKZICSDU-QGZVFWFLSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@]3(C)CCC[C@@H]3CC)C2)C1 ZINC000981842701 656785129 /nfs/dbraw/zinc/78/51/29/656785129.db2.gz IUTGYQHMXZOJCM-WMZOPIPTSA-N 0 3 304.478 3.313 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001052912452 656788960 /nfs/dbraw/zinc/78/89/60/656788960.db2.gz BXGZHYPWMDYALP-HXUWFJFHSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC000981868287 656790678 /nfs/dbraw/zinc/79/06/78/656790678.db2.gz RQVIOAAXSGTMEU-UHFFFAOYSA-N 0 3 314.473 3.265 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)C2)C1 ZINC000981881117 656793589 /nfs/dbraw/zinc/79/35/89/656793589.db2.gz QZTIDGKVPFCTGX-IRXDYDNUSA-N 0 3 316.489 3.335 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(Cl)ccc3F)C2)C1 ZINC000981878178 656794805 /nfs/dbraw/zinc/79/48/05/656794805.db2.gz NWJRKGDOXMFNOH-UHFFFAOYSA-N 0 3 322.811 3.203 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001052979569 656805440 /nfs/dbraw/zinc/80/54/40/656805440.db2.gz RTUHKSASNFCOOJ-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc4cc(C)ccc4[nH]3)C2)C1 ZINC000981927998 656809434 /nfs/dbraw/zinc/80/94/34/656809434.db2.gz YLLOSJDBNKCCGO-UHFFFAOYSA-N 0 3 323.440 3.200 20 30 DGEDHN COc1ccc(O)c(/C=N/C[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000067005676 656809604 /nfs/dbraw/zinc/80/96/04/656809604.db2.gz KRWFMAFGGVYTMZ-TYJAPOHBSA-N 0 3 312.413 3.431 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccco2)C1 ZINC001053062259 656836380 /nfs/dbraw/zinc/83/63/80/656836380.db2.gz XNDZKXBPUKYTTI-IRXDYDNUSA-N 0 3 314.429 3.010 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccccc2C)C1 ZINC001053067497 656841279 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C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001028191519 656852538 /nfs/dbraw/zinc/85/25/38/656852538.db2.gz UHXHPBUOLJDFQP-IXDOHACOSA-N 0 3 318.848 3.210 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)C1 ZINC001053105517 656853666 /nfs/dbraw/zinc/85/36/66/656853666.db2.gz OZATYEDGMAGJRJ-UXHICEINSA-N 0 3 324.468 3.335 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)C2)C1 ZINC000982064764 656880771 /nfs/dbraw/zinc/88/07/71/656880771.db2.gz VGVHLOVKBFMATR-RBUKOAKNSA-N 0 3 324.468 3.209 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc[nH]c1C ZINC001054036039 656888726 /nfs/dbraw/zinc/88/87/26/656888726.db2.gz AMTOAYDSXIKDJC-SFHVURJKSA-N 0 3 323.440 3.056 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4c(c3)CCC=C4)C2)C1 ZINC000982118298 656898829 /nfs/dbraw/zinc/89/88/29/656898829.db2.gz MNDBUSIRAYQQDB-UHFFFAOYSA-N 0 3 322.452 3.370 20 30 DGEDHN C=C(C)CN1CCCC2(CN(C(=O)c3c(F)cccc3F)C2)C1 ZINC000982130454 656902666 /nfs/dbraw/zinc/90/26/66/656902666.db2.gz LSKMNCOBYYEGKP-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3CCC(C)(C)CC3)C2)C1 ZINC000982167958 656909279 /nfs/dbraw/zinc/90/92/79/656909279.db2.gz WXPUWXCUUUXOMY-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C2 ZINC001054134722 656917044 /nfs/dbraw/zinc/91/70/44/656917044.db2.gz LRAVSEBKWZHEFQ-SQGPQFPESA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(C)CCCCCC1)C2 ZINC001054146290 656919736 /nfs/dbraw/zinc/91/97/36/656919736.db2.gz HOGWITHHRNLCTM-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1C=CCCC1)C2 ZINC001054152707 656921144 /nfs/dbraw/zinc/92/11/44/656921144.db2.gz GLTHOQZVYBVOFL-UYAOXDASSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@]3(CCN(C/C=C\Cl)C3)C2)C1 ZINC001054193060 656933114 /nfs/dbraw/zinc/93/31/14/656933114.db2.gz OLZAUEYZMCCZJZ-NCRRVARUSA-N 0 3 322.880 3.410 20 30 DGEDHN C[C@H]1C[C@@H](NCc2ccccc2C#N)CCN1C(=O)C1=CCCC1 ZINC001044542481 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C=C(C)CCN1Cc2ccc(CNC(=O)c3ccn(C)c3)cc2C1 ZINC001054261798 656954104 /nfs/dbraw/zinc/95/41/04/656954104.db2.gz VEQUZNGIYYJURR-UHFFFAOYSA-N 0 3 323.440 3.237 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3ccncc3C)cc2C1 ZINC001054264577 656955151 /nfs/dbraw/zinc/95/51/51/656955151.db2.gz KSBNRLKAOSMJGB-UHFFFAOYSA-N 0 3 321.424 3.212 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028278947 656966211 /nfs/dbraw/zinc/96/62/11/656966211.db2.gz GTPASDHKYSEBDL-LBPRGKRZSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279590 656966829 /nfs/dbraw/zinc/96/68/29/656966829.db2.gz QUAMZDISUHONCE-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C(C)(C)C(C)(C)C)C[C@]2(C)C1 ZINC000982430673 656970367 /nfs/dbraw/zinc/97/03/67/656970367.db2.gz BHBLUGVJFHYCTR-BGYRXZFFSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001028292692 656979112 /nfs/dbraw/zinc/97/91/12/656979112.db2.gz VIHLDOTVHNSDGY-RDJZCZTQSA-N 0 3 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CC#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000941198680 660093598 /nfs/dbraw/zinc/09/35/98/660093598.db2.gz BFRZAKZSAPBAFO-GOSISDBHSA-N 0 3 312.457 3.157 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C(C)(C)C1 ZINC000941251463 660098632 /nfs/dbraw/zinc/09/86/32/660098632.db2.gz WUQRPGPDDWQWGZ-CQSZACIVSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C1CCC(C(=O)NCC2CN([C@@H]3CCc4ccccc43)C2)CC1 ZINC001031951320 660104966 /nfs/dbraw/zinc/10/49/66/660104966.db2.gz FOZQYHMSNKXSRS-HXUWFJFHSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2C(F)F)[C@H](C)C1 ZINC000942061366 660133788 /nfs/dbraw/zinc/13/37/88/660133788.db2.gz LJDFDWUUIZPRBQ-MFKMUULPSA-N 0 3 314.401 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2scc(C)c2Cl)[C@H](C)C1 ZINC000942080468 660135022 /nfs/dbraw/zinc/13/50/22/660135022.db2.gz YCKUROVOZHBQOZ-PWSUYJOCSA-N 0 3 312.866 3.336 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@@H](C)C1 ZINC000942078967 660135839 /nfs/dbraw/zinc/13/58/39/660135839.db2.gz 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ZINC000942607142 660166206 /nfs/dbraw/zinc/16/62/06/660166206.db2.gz AGVJHKPVXVMSGD-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2C2(C)CC2)[C@@H](C)C1 ZINC000942722896 660168845 /nfs/dbraw/zinc/16/88/45/660168845.db2.gz PQQFXPPPFBCNSV-LPHOPBHVSA-N 0 3 324.468 3.202 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c3ccccc23)[C@@H](C)C1 ZINC000942937877 660173217 /nfs/dbraw/zinc/17/32/17/660173217.db2.gz JLJVHMZSCGGEPC-IFXJQAMLSA-N 0 3 324.399 3.052 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC2CCCCCC2)[C@@H](C)C1 ZINC000942958399 660173723 /nfs/dbraw/zinc/17/37/23/660173723.db2.gz FILNYBUGEJPNPD-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000943287094 660183357 /nfs/dbraw/zinc/18/33/57/660183357.db2.gz IAZOKBWCUBUIIP-SWLSCSKDSA-N 0 3 316.376 3.198 20 30 DGEDHN N#CC1CCC(CN2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000929355864 661300330 /nfs/dbraw/zinc/30/03/30/661300330.db2.gz QRPBBCKKSGOBLD-UHFFFAOYSA-N 0 3 318.852 3.187 20 30 DGEDHN 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C=CCN1CC[C@H](NC(=O)c2ccn(C(CC)CC)n2)C[C@@H]1C ZINC000947779753 661931433 /nfs/dbraw/zinc/93/14/33/661931433.db2.gz SIWCDHFGSRARNV-GJZGRUSLSA-N 0 3 318.465 3.013 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2Cl)C[C@H]1C ZINC000947824441 661933400 /nfs/dbraw/zinc/93/34/00/661933400.db2.gz HJURTMMZTGOPOK-CHWSQXEVSA-N 0 3 322.836 3.117 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)C[C@H]1C ZINC000947842488 661933889 /nfs/dbraw/zinc/93/38/89/661933889.db2.gz UVXFECUCMBMLGF-DOMZBBRYSA-N 0 3 322.836 3.117 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C[C@H]1C ZINC000947842726 661933993 /nfs/dbraw/zinc/93/39/93/661933993.db2.gz WSWQXKOEYVKBLN-NCXUSEDFSA-N 0 3 318.505 3.441 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C[C@H]1C ZINC000947879383 661935841 /nfs/dbraw/zinc/93/58/41/661935841.db2.gz ZQOMBHVEZPEUBE-GDBMZVCRSA-N 0 3 323.440 3.001 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)C[C@@H]1C ZINC000947934097 661938613 /nfs/dbraw/zinc/93/86/13/661938613.db2.gz JFAGFDVRGVEYGQ-GOEBONIOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2C(F)F)C[C@@H]1C ZINC000947985082 661941670 /nfs/dbraw/zinc/94/16/70/661941670.db2.gz KVISZWJKAGXAGG-WDEREUQCSA-N 0 3 314.401 3.454 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)C[C@H]1C ZINC000948001749 661944079 /nfs/dbraw/zinc/94/40/79/661944079.db2.gz FJEYIBCORKWQOF-TZMCWYRMSA-N 0 3 304.459 3.006 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC(C)C)cc2)C[C@@H]1C ZINC000948011597 661944575 /nfs/dbraw/zinc/94/45/75/661944575.db2.gz JMNBJCCQGWADGT-QFBILLFUSA-N 0 3 312.457 3.101 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C[C@H]1C ZINC000948078170 661948406 /nfs/dbraw/zinc/94/84/06/661948406.db2.gz IRMUAVKGIBWPLA-NVXWUHKLSA-N 0 3 304.478 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)C[C@H]1C ZINC000948094508 661950441 /nfs/dbraw/zinc/95/04/41/661950441.db2.gz LURCBLAJNIRIES-MSOLQXFVSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C[C@@H]1C ZINC000948104606 661951324 /nfs/dbraw/zinc/95/13/24/661951324.db2.gz NIUMMTDWVDYLNJ-QWHCGFSZSA-N 0 3 307.463 3.035 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2sccc2C)CC1 ZINC000948151647 661955729 /nfs/dbraw/zinc/95/57/29/661955729.db2.gz FYRFLQPJJABVQU-OAHLLOKOSA-N 0 3 304.459 3.006 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C(F)=C2CCCC2)CC1 ZINC000948300635 661966949 /nfs/dbraw/zinc/96/69/49/661966949.db2.gz YZTFMVRYEMNIQQ-MRXNPFEDSA-N 0 3 306.425 3.120 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000948473762 661977396 /nfs/dbraw/zinc/97/73/96/661977396.db2.gz KTZFMAFMHWJOSH-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccccc2CCC)CC1 ZINC000948604452 661985953 /nfs/dbraw/zinc/98/59/53/661985953.db2.gz FJPWSZCWIGEXAE-SFHVURJKSA-N 0 3 312.457 3.199 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2CCCCCCC2)CC1 ZINC000948605041 661985984 /nfs/dbraw/zinc/98/59/84/661985984.db2.gz LTJOWRFFDZMDKQ-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000948649082 661988728 /nfs/dbraw/zinc/98/87/28/661988728.db2.gz YYPNNBVKRSPJFD-FQEVSTJZSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000948656174 661989050 /nfs/dbraw/zinc/98/90/50/661989050.db2.gz VXSHWNRDAIJLEI-KRWDZBQOSA-N 0 3 323.440 3.036 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000948701250 661991838 /nfs/dbraw/zinc/99/18/38/661991838.db2.gz SYTJFCTZRKJDBD-INIZCTEOSA-N 0 3 315.461 3.088 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(CCC)cc2)CC1 ZINC000948730264 661993573 /nfs/dbraw/zinc/99/35/73/661993573.db2.gz UUYFYIHEXNWTJK-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)C2(C)CCCCC2)CC1 ZINC000948742218 661994483 /nfs/dbraw/zinc/99/44/83/661994483.db2.gz IEQYTJROTLIORX-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(C/C=C\Cl)CC2)C1 ZINC000948758130 661995455 /nfs/dbraw/zinc/99/54/55/661995455.db2.gz BFJVEZQBXYHMQB-GTBONMDNSA-N 0 3 310.869 3.408 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000948771491 661997128 /nfs/dbraw/zinc/99/71/28/661997128.db2.gz OXLBWVKWZLKIQP-RDJZCZTQSA-N 0 3 318.486 3.188 20 30 DGEDHN C=Cc1ccc(C(=O)N(C)[C@H]2CCCN(CC#CC)CC2)cc1 ZINC000948800639 661998862 /nfs/dbraw/zinc/99/88/62/661998862.db2.gz WQVFCHGAGCOTRS-IBGZPJMESA-N 0 3 310.441 3.279 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc2ccccc2c1 ZINC000193378185 662132334 /nfs/dbraw/zinc/13/23/34/662132334.db2.gz IYORGCSMPDDIMW-QGZVFWFLSA-N 0 3 308.381 3.006 20 30 DGEDHN N#Cc1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)cc1 ZINC000194653305 662170296 /nfs/dbraw/zinc/17/02/96/662170296.db2.gz YVJDBBYFDXHFSZ-UHFFFAOYSA-N 0 3 322.364 3.157 20 30 DGEDHN CCCCCCCS(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000195121005 662178622 /nfs/dbraw/zinc/17/86/22/662178622.db2.gz CYPLRKPLZJAMMI-UHFFFAOYSA-N 0 3 318.527 3.139 20 30 DGEDHN CC(C)CO[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000246204653 662250968 /nfs/dbraw/zinc/25/09/68/662250968.db2.gz MCOJDLAAHXFCNG-QAPCUYQASA-N 0 3 302.418 3.224 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC000970372161 685334718 /nfs/dbraw/zinc/33/47/18/685334718.db2.gz NFBUWHIPSBVKAN-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)C[C@H]1C ZINC000947584346 685331587 /nfs/dbraw/zinc/33/15/87/685331587.db2.gz IGIZAAQHFDZTAW-ZBFHGGJFSA-N 0 3 313.445 3.036 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001046384103 685400051 /nfs/dbraw/zinc/40/00/51/685400051.db2.gz XXQTWIZVEUSKMF-ZHALLVOQSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(Cl)c2C)CC[C@@H]1C ZINC001071525935 686678937 /nfs/dbraw/zinc/67/89/37/686678937.db2.gz PQXLTZSLEIQSII-DZGCQCFKSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2C(C)C)CC[C@@H]1C ZINC001071548699 686686876 /nfs/dbraw/zinc/68/68/76/686686876.db2.gz KQUSDPJKVXGTKB-DLBZAZTESA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C(F)F)nc2)CC[C@H]1C ZINC001071556330 686687942 /nfs/dbraw/zinc/68/79/42/686687942.db2.gz KXOVIAIGDXVTHI-TZMCWYRMSA-N 0 3 323.387 3.178 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3cccnc32)CC[C@@H]1C ZINC001071647029 686711625 /nfs/dbraw/zinc/71/16/25/686711625.db2.gz DFNMERIFZSLULH-RDJZCZTQSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@H]1C ZINC001071662640 686716304 /nfs/dbraw/zinc/71/63/04/686716304.db2.gz FGMXLDHFPAMQFD-NVXWUHKLSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)oc(C)c2C)CC[C@@H]1C ZINC001071666688 686718228 /nfs/dbraw/zinc/71/82/28/686718228.db2.gz PDMMTHBAWGCKHF-LRDDRELGSA-N 0 3 304.434 3.364 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)oc(C)c2C)CC[C@H]1C ZINC001071666690 686718284 /nfs/dbraw/zinc/71/82/84/686718284.db2.gz PDMMTHBAWGCKHF-MLGOLLRUSA-N 0 3 304.434 3.364 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccnc2C(F)F)CC[C@@H]1C ZINC001071672321 686719395 /nfs/dbraw/zinc/71/93/95/686719395.db2.gz BBNWNJZODQNTCD-QWHCGFSZSA-N 0 3 323.387 3.178 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)CC[C@@H]1C ZINC001071670818 686720029 /nfs/dbraw/zinc/72/00/29/686720029.db2.gz RXEIIGAPYSWSHT-ZFWWWQNUSA-N 0 3 311.429 3.245 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2c(C)noc2C2CC2)CC[C@@H]1C ZINC001071696041 686725349 /nfs/dbraw/zinc/72/53/49/686725349.db2.gz WBOSHAHQDNCEBF-SWLSCSKDSA-N 0 3 317.433 3.019 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(F)ccc2C)CC[C@@H]1C ZINC001071715052 686731079 /nfs/dbraw/zinc/73/10/79/686731079.db2.gz CQXCLXBNASXXPL-HOCLYGCPSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3ccsc3[nH]2)CC[C@@H]1C ZINC001071724500 686734528 /nfs/dbraw/zinc/73/45/28/686734528.db2.gz IDIDZKAGHBQXEP-JSGCOSHPSA-N 0 3 317.458 3.388 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C2CCC2)C2CCC2)CC[C@@H]1C ZINC001071771894 686745975 /nfs/dbraw/zinc/74/59/75/686745975.db2.gz AZPFFPNYOBAUGM-YJBOKZPZSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)c(C)c2)CC[C@@H]1C ZINC001071792412 686755740 /nfs/dbraw/zinc/75/57/40/686755740.db2.gz IYHFSOVVFORKEP-GOEBONIOSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)ccc2Cl)CC[C@H]1C ZINC001071844118 686768324 /nfs/dbraw/zinc/76/83/24/686768324.db2.gz HWASLPHRUZSCGC-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C(F)F)cc2)CC[C@H]1C ZINC001071889800 686783727 /nfs/dbraw/zinc/78/37/27/686783727.db2.gz CCQFGQYGEQJJBR-CZUORRHYSA-N 0 3 320.383 3.230 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@@H]1C ZINC001071893744 686784874 /nfs/dbraw/zinc/78/48/74/686784874.db2.gz SJNFUNZLVCRQDZ-DOTOQJQBSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@@H]1C ZINC001071974791 686801678 /nfs/dbraw/zinc/80/16/78/686801678.db2.gz PONPFNNERAZMOZ-DZGCQCFKSA-N 0 3 318.465 3.000 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)CC[C@@H]1C ZINC001071974791 686801681 /nfs/dbraw/zinc/80/16/81/686801681.db2.gz PONPFNNERAZMOZ-DZGCQCFKSA-N 0 3 318.465 3.000 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)CC[C@H]1C ZINC001071999548 686810432 /nfs/dbraw/zinc/81/04/32/686810432.db2.gz PTLRAHLDNLALFX-NVXWUHKLSA-N 0 3 317.477 3.372 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)ccc2F)CC[C@@H]1C ZINC001072001933 686811066 /nfs/dbraw/zinc/81/10/66/686811066.db2.gz HNIXSIRVUHRVKG-RDJZCZTQSA-N 0 3 318.436 3.222 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cnc(C3CC3)s2)CC[C@H]1C ZINC001072009093 686815740 /nfs/dbraw/zinc/81/57/40/686815740.db2.gz QEGVBYSVQOTULS-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3ccccc3n2)CC[C@H]1C ZINC001072019226 686824451 /nfs/dbraw/zinc/82/44/51/686824451.db2.gz FLMWCMICXJWQMB-WBVHZDCISA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2OCC)CC[C@H]1C ZINC001072037757 686836270 /nfs/dbraw/zinc/83/62/70/686836270.db2.gz UHFVWOQXHVFXHG-HZPDHXFCSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001072098866 686865355 /nfs/dbraw/zinc/86/53/55/686865355.db2.gz HLJFIPYROVWQBR-ZFWWWQNUSA-N 0 3 306.475 3.469 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccoc2C(C)C)CC[C@H]1C ZINC001072101113 686866489 /nfs/dbraw/zinc/86/64/89/686866489.db2.gz DIYOFIAIDRVHGX-HUUCEWRRSA-N 0 3 302.418 3.009 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072113250 686874586 /nfs/dbraw/zinc/87/45/86/686874586.db2.gz RVKIBQGABXLNIU-STQMWFEESA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3coc4c3cccc4C)C2)C1 ZINC001072816809 686963930 /nfs/dbraw/zinc/96/39/30/686963930.db2.gz AELIVWZIZCKWJC-UHFFFAOYSA-N 0 3 310.397 3.075 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)c3cccc(F)c3)C2)C1 ZINC001072968612 686992191 /nfs/dbraw/zinc/99/21/91/686992191.db2.gz UMBHPUWLJKZSGF-HNNXBMFYSA-N 0 3 316.420 3.040 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@]3(c4ccccc4)CC3(C)C)C2)C1 ZINC001073072295 687008605 /nfs/dbraw/zinc/00/86/05/687008605.db2.gz HJWAKWIDQLPAID-OAQYLSRUSA-N 0 3 324.468 3.075 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001073143790 687018310 /nfs/dbraw/zinc/01/83/10/687018310.db2.gz CZBGEWYZIIUNGL-UHFFFAOYSA-N 0 3 312.457 3.318 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3C)[C@@H]2C1 ZINC001075822266 687446097 /nfs/dbraw/zinc/44/60/97/687446097.db2.gz IQPVDYKOAWUUQI-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@@H]2C1 ZINC001075829733 687447240 /nfs/dbraw/zinc/44/72/40/687447240.db2.gz KQRIDRQPZCMSOS-FXAWDEMLSA-N 0 3 324.468 3.288 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC001076092682 687477193 /nfs/dbraw/zinc/47/71/93/687477193.db2.gz GNSHUHCEYVBMHK-VQTJNVASSA-N 0 3 324.468 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3C)[C@@H]2C1 ZINC001076369333 687514989 /nfs/dbraw/zinc/51/49/89/687514989.db2.gz RRPSLWVTHXNHTC-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C(C)(C)C)c3)[C@@H]2C1 ZINC001076383160 687516293 /nfs/dbraw/zinc/51/62/93/687516293.db2.gz UUTHSPKPJUSUAC-FUHWJXTLSA-N 0 3 312.457 3.316 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)[C@@H]2C1 ZINC001076417465 687521395 /nfs/dbraw/zinc/52/13/95/687521395.db2.gz FLRWDKILAPTQIU-MAUKXSAKSA-N 0 3 323.440 3.117 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(Cl)s3)[C@@H]2C1 ZINC001076442586 687523748 /nfs/dbraw/zinc/52/37/48/687523748.db2.gz YUMMAWUBKIAFSX-RWMBFGLXSA-N 0 3 324.877 3.224 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cc4ccccc4o3)[C@@H]2C1 ZINC001076443680 687523819 /nfs/dbraw/zinc/52/38/19/687523819.db2.gz VDQDAJOBDAQWSS-BHYGNILZSA-N 0 3 324.424 3.255 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCC(C4CC4)CC3)[C@@H]2C1 ZINC001076514313 687532938 /nfs/dbraw/zinc/53/29/38/687532938.db2.gz BAXOVCPZTUBIDX-WZOJCFFYSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(F)cc3Cl)[C@@H]2C1 ZINC001076525897 687533646 /nfs/dbraw/zinc/53/36/46/687533646.db2.gz VPLYZNZKPOXPRB-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)s3)[C@@H]2C1 ZINC001076617195 687544366 /nfs/dbraw/zinc/54/43/66/687544366.db2.gz PRDDNICNZWEOPU-LSDHHAIUSA-N 0 3 316.470 3.041 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2)C12CCC2 ZINC001078538827 687678700 /nfs/dbraw/zinc/67/87/00/687678700.db2.gz JDRYQJOVMKFVBB-LSDHHAIUSA-N 0 3 304.821 3.070 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2C)C12CCC2 ZINC001078541641 687679780 /nfs/dbraw/zinc/67/97/80/687679780.db2.gz TZEONEZUEJLGFB-HOTGVXAUSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C12CCC2 ZINC001078592163 687685819 /nfs/dbraw/zinc/68/58/19/687685819.db2.gz ZHIXELFDJKVQOP-CHWSQXEVSA-N 0 3 324.896 3.438 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cc(C)cs2)C12CCC2 ZINC001078619109 687690516 /nfs/dbraw/zinc/69/05/16/687690516.db2.gz CJWCLOKBBTWMQZ-ZIAGYGMSSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2C=CC=CC=C2)C12CCC2 ZINC001078637582 687695115 /nfs/dbraw/zinc/69/51/15/687695115.db2.gz REJGMTZJEAFJEC-HZPDHXFCSA-N 0 3 318.848 3.054 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2[nH]c(C)cc2C)C12CCC2 ZINC001078660477 687698967 /nfs/dbraw/zinc/69/89/67/687698967.db2.gz JHNGEBDBXJDYNE-ZIAGYGMSSA-N 0 3 321.852 3.015 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(C)CC(=C)C2)C12CCC2 ZINC001078720139 687713479 /nfs/dbraw/zinc/71/34/79/687713479.db2.gz GVYKPVUCNWMYHJ-KGLIPLIRSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001079690711 687875654 /nfs/dbraw/zinc/87/56/54/687875654.db2.gz CVKYZNNBLRLTGJ-KLHDSHLOSA-N 0 3 318.486 3.173 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001079760901 687886622 /nfs/dbraw/zinc/88/66/22/687886622.db2.gz IHMUDWNKCDPASM-ZYHUDNBSSA-N 0 3 312.866 3.336 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001079981846 687910017 /nfs/dbraw/zinc/91/00/17/687910017.db2.gz DQBZNLVZMGJWDT-DNVCBOLYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001080043393 687914416 /nfs/dbraw/zinc/91/44/16/687914416.db2.gz AGAJMUDIRIJCPK-RHSMWYFYSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001080242145 687934695 /nfs/dbraw/zinc/93/46/95/687934695.db2.gz KOHSJHQIEKZLJB-RDTXWAMCSA-N 0 3 311.429 3.103 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001080256480 687935990 /nfs/dbraw/zinc/93/59/90/687935990.db2.gz RVWLSEJJEVFUGV-ZIAGYGMSSA-N 0 3 306.475 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001080503523 687988289 /nfs/dbraw/zinc/98/82/89/687988289.db2.gz VEIUWZQXLHAPQI-QBPKDAKJSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001080626689 688004607 /nfs/dbraw/zinc/00/46/07/688004607.db2.gz YGOXZCVYVALXGD-HACGYAERSA-N 0 3 304.434 3.013 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001080804924 688014097 /nfs/dbraw/zinc/01/40/97/688014097.db2.gz QZURUXVKPOOUBS-RHSMWYFYSA-N 0 3 318.436 3.116 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001080888720 688023201 /nfs/dbraw/zinc/02/32/01/688023201.db2.gz KBRMPCNBKOHFNU-DNVCBOLYSA-N 0 3 312.457 3.192 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](OC)C1 ZINC001081806228 688059920 /nfs/dbraw/zinc/05/99/20/688059920.db2.gz XJWGDYQSOIKNFV-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)OCO2 ZINC001577430074 1191901672 /nfs/dbraw/zinc/90/16/72/1191901672.db2.gz MEBHQBZGXNJLQH-AWEZNQCLSA-N 0 3 306.406 3.432 20 30 DGEDHN CCSc1cccc(F)c1NC(=O)[C@H](N)CCCCC#N ZINC001578220615 1191932733 /nfs/dbraw/zinc/93/27/33/1191932733.db2.gz OXRMJBYZJNKULB-GFCCVEGCSA-N 0 3 309.410 3.287 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001580049019 1192004731 /nfs/dbraw/zinc/00/47/31/1192004731.db2.gz DLBPWXWNJVTFBV-GOSISDBHSA-N 0 3 313.445 3.372 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC001580049030 1192004771 /nfs/dbraw/zinc/00/47/71/1192004771.db2.gz DVGJOGSOTOZNQM-VIFPVBQESA-N 0 3 304.152 3.092 20 30 DGEDHN C#CCN(C(=O)CC1CCC(C)(C)CC1)C1CCN(C)CC1 ZINC001585115274 1192241959 /nfs/dbraw/zinc/24/19/59/1192241959.db2.gz NBWJZTLHRQBGBP-UHFFFAOYSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C[NH2+]Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001588444217 1192447419 /nfs/dbraw/zinc/44/74/19/1192447419.db2.gz RDJQBRHTCVACAY-UHFFFAOYSA-N 0 3 319.412 3.287 20 30 DGEDHN C=C(C[NH2+]Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588444217 1192447422 /nfs/dbraw/zinc/44/74/22/1192447422.db2.gz RDJQBRHTCVACAY-UHFFFAOYSA-N 0 3 319.412 3.287 20 30 DGEDHN C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588426314 1192447546 /nfs/dbraw/zinc/44/75/46/1192447546.db2.gz SCCOVPMVIZYXIT-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588426314 1192447548 /nfs/dbraw/zinc/44/75/48/1192447548.db2.gz SCCOVPMVIZYXIT-UHFFFAOYSA-N 0 3 319.412 3.445 20 30 DGEDHN C=CCC1(C[NH2+][C@H](C)c2cc(-c3nnn[n-]3)ccn2)CCCC1 ZINC001588557259 1192449790 /nfs/dbraw/zinc/44/97/90/1192449790.db2.gz IYEPXRXMBGGNCJ-CYBMUJFWSA-N 0 3 312.421 3.049 20 30 DGEDHN C=CCC1(C[NH2+][C@H](C)c2cc(-c3nn[n-]n3)ccn2)CCCC1 ZINC001588557259 1192449791 /nfs/dbraw/zinc/44/97/91/1192449791.db2.gz IYEPXRXMBGGNCJ-CYBMUJFWSA-N 0 3 312.421 3.049 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588577616 1192449927 /nfs/dbraw/zinc/44/99/27/1192449927.db2.gz JPASFJAVLONJKN-DLBZAZTESA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCC[C@H](CCC)[NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588577616 1192449930 /nfs/dbraw/zinc/44/99/30/1192449930.db2.gz JPASFJAVLONJKN-DLBZAZTESA-N 0 3 311.433 3.058 20 30 DGEDHN C=CCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001588556653 1192450476 /nfs/dbraw/zinc/45/04/76/1192450476.db2.gz BLVIVXOOBDYZOL-UHFFFAOYSA-N 0 3 315.396 3.232 20 30 DGEDHN C=CCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001588556653 1192450479 /nfs/dbraw/zinc/45/04/79/1192450479.db2.gz BLVIVXOOBDYZOL-UHFFFAOYSA-N 0 3 315.396 3.232 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588561061 1192450712 /nfs/dbraw/zinc/45/07/12/1192450712.db2.gz WXVZWCQAKBWLKR-RDJZCZTQSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588561061 1192450715 /nfs/dbraw/zinc/45/07/15/1192450715.db2.gz WXVZWCQAKBWLKR-RDJZCZTQSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CCOc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC001620933277 1192628567 /nfs/dbraw/zinc/62/85/67/1192628567.db2.gz LKMJQEXCUSPRTQ-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN C=CCCCn1c(C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001594680783 1192646336 /nfs/dbraw/zinc/64/63/36/1192646336.db2.gz VCAIODMRRYLSBN-UHFFFAOYSA-N 0 3 319.497 3.111 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001665601671 1197156158 /nfs/dbraw/zinc/15/61/58/1197156158.db2.gz TVZXJAZVEAGHOK-CYBMUJFWSA-N 0 3 310.438 3.438 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001665618096 1197159405 /nfs/dbraw/zinc/15/94/05/1197159405.db2.gz VSXVHVZMTILWGI-CYBMUJFWSA-N 0 3 306.372 3.218 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001671437079 1176020123 /nfs/dbraw/zinc/02/01/23/1176020123.db2.gz IKTDACBFKBNLQN-QGZVFWFLSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001671969030 1176027780 /nfs/dbraw/zinc/02/77/80/1176027780.db2.gz QZDYDTBUGTYLGW-ZIAGYGMSSA-N 0 3 320.399 3.164 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](CN(C)C[C@H](F)CC)C2)CCC1 ZINC001691979939 1176097489 /nfs/dbraw/zinc/09/74/89/1176097489.db2.gz UOFRQYCLSUSRLN-JKSUJKDBSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(C)CCC(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001691021924 1176100634 /nfs/dbraw/zinc/10/06/34/1176100634.db2.gz JVIHRSAFEHEGGS-UHFFFAOYSA-N 0 3 306.425 3.429 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cc(C)cc(C)c1 ZINC001670686627 1176218272 /nfs/dbraw/zinc/21/82/72/1176218272.db2.gz ILHUBLQKUVRWQY-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc[nH]c1C ZINC001691991768 1176222218 /nfs/dbraw/zinc/22/22/18/1176222218.db2.gz GCPNVWBPZDBIBS-MLGOLLRUSA-N 0 3 323.868 3.296 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001670719392 1176232562 /nfs/dbraw/zinc/23/25/62/1176232562.db2.gz PYFDEMWLJZSGIM-JKSUJKDBSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@]1(C)CCc2ccccc21 ZINC001670729321 1176250725 /nfs/dbraw/zinc/25/07/25/1176250725.db2.gz IMRCWLGFGQGABF-YLJYHZDGSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001691070083 1176293168 /nfs/dbraw/zinc/29/31/68/1176293168.db2.gz VHKDRVXGSNYYPA-LJQANCHMSA-N 0 3 312.457 3.222 20 30 DGEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC001691082942 1176299788 /nfs/dbraw/zinc/29/97/88/1176299788.db2.gz OVWOWCPSAGQNDL-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001691109743 1176319596 /nfs/dbraw/zinc/31/95/96/1176319596.db2.gz WJESHYZILIXNFT-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001691111874 1176320905 /nfs/dbraw/zinc/32/09/05/1176320905.db2.gz BTCUPZVAZFPHQL-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1cc(C)ccc1C)C1CC1 ZINC001691203225 1176390961 /nfs/dbraw/zinc/39/09/61/1176390961.db2.gz QUCHIJPQJBDVDR-UHFFFAOYSA-N 0 3 300.446 3.350 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001691212335 1176394184 /nfs/dbraw/zinc/39/41/84/1176394184.db2.gz LNARWQQAXPUWQS-AEGPPILISA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CN(CCNC(=O)CCc1cc(F)ccc1F)C1CC1 ZINC001691237032 1176407874 /nfs/dbraw/zinc/40/78/74/1176407874.db2.gz PLSSFISRCJVLKU-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cnc(CC(C)C)s1)C1CC1 ZINC001691238897 1176409422 /nfs/dbraw/zinc/40/94/22/1176409422.db2.gz GEQNQUCKRKEUOH-UHFFFAOYSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C[C@H]1C)CCN(CC#CC)CC2 ZINC001691274670 1176419551 /nfs/dbraw/zinc/41/95/51/1176419551.db2.gz DDHSMEKITZLNCK-QGZVFWFLSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCCCC)C2)CC1 ZINC001691275042 1176419947 /nfs/dbraw/zinc/41/99/47/1176419947.db2.gz KGRFPZJOIYPRGT-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1CCc1ccc(C)cc1 ZINC001691391722 1176464675 /nfs/dbraw/zinc/46/46/75/1176464675.db2.gz CFAMSHUQOOCBOE-SFHVURJKSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001691392165 1176465011 /nfs/dbraw/zinc/46/50/11/1176465011.db2.gz KQOYKDKUXREOCC-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C=C)c1ccccc1 ZINC001691416721 1176476071 /nfs/dbraw/zinc/47/60/71/1176476071.db2.gz OTZOEDVCZPKPHU-IEBWSBKVSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@H]2C1(C)C ZINC001691429141 1176535517 /nfs/dbraw/zinc/53/55/17/1176535517.db2.gz VWSBBDFGMIYZBL-AOBXMGLLSA-N 0 3 314.473 3.137 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001691437093 1176552196 /nfs/dbraw/zinc/55/21/96/1176552196.db2.gz CUCBNNOYRISSIB-HNNXBMFYSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)CCc1cccs1 ZINC001698994355 1176561995 /nfs/dbraw/zinc/56/19/95/1176561995.db2.gz KVELGTOJIMXGMF-KRWDZBQOSA-N 0 3 308.491 3.283 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001691441923 1176587524 /nfs/dbraw/zinc/58/75/24/1176587524.db2.gz YCXNBGJFYXWLRG-OAHLLOKOSA-N 0 3 306.425 3.284 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001754557755 1176604369 /nfs/dbraw/zinc/60/43/69/1176604369.db2.gz NEZQIDQXHXTSQF-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)CC1 ZINC001754561154 1176605182 /nfs/dbraw/zinc/60/51/82/1176605182.db2.gz KTXYKPYYVMRRIH-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCCCC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001754719230 1176675399 /nfs/dbraw/zinc/67/53/99/1176675399.db2.gz ZKMJDWLQBKSQPW-YRNVUSSQSA-N 0 3 310.869 3.151 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC001752141891 1176679954 /nfs/dbraw/zinc/67/99/54/1176679954.db2.gz OZBZAGQHNCVDSP-RHRXWLLISA-N 0 3 310.869 3.454 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001752308914 1176724447 /nfs/dbraw/zinc/72/44/47/1176724447.db2.gz SZMOOGOGQRGHTJ-LJQANCHMSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC001752309991 1176726218 /nfs/dbraw/zinc/72/62/18/1176726218.db2.gz CZIMQBDDLGUASV-OAHLLOKOSA-N 0 3 318.436 3.113 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001672509752 1176807548 /nfs/dbraw/zinc/80/75/48/1176807548.db2.gz QGVGQFAOTILCAA-RCCFBDPRSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001755183154 1176825641 /nfs/dbraw/zinc/82/56/41/1176825641.db2.gz BNXMXBTUFNNNAQ-UHFFFAOYSA-N 0 3 324.896 3.490 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)C(C)C ZINC001687383736 1176897441 /nfs/dbraw/zinc/89/74/41/1176897441.db2.gz GESJOQNMWIUZGW-GOSISDBHSA-N 0 3 315.461 3.175 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)ccc1C)C(C)C ZINC001753845378 1176960994 /nfs/dbraw/zinc/96/09/94/1176960994.db2.gz YORIVADRAZRXTA-MRXNPFEDSA-N 0 3 308.853 3.400 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2F)[C@H]1CC ZINC001691504997 1177007354 /nfs/dbraw/zinc/00/73/54/1177007354.db2.gz QHWHNKGULPMAPN-JCGIZDLHSA-N 0 3 318.436 3.474 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001752815177 1177189700 /nfs/dbraw/zinc/18/97/00/1177189700.db2.gz AMRAWIMHDIHZOA-SFHVURJKSA-N 0 3 320.477 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001691534154 1177251010 /nfs/dbraw/zinc/25/10/10/1177251010.db2.gz SVUOGJFWEYZBPU-MRVWCRGKSA-N 0 3 310.825 3.010 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CCCCCC)C[C@@H]2C1 ZINC001691576881 1177316837 /nfs/dbraw/zinc/31/68/37/1177316837.db2.gz WXMXCENXAMRLAA-OTWHNJEPSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[C@H](C)SC)C1 ZINC001691617567 1177329651 /nfs/dbraw/zinc/32/96/51/1177329651.db2.gz NIPOLXVIPAHLCN-KBPBESRZSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001691856499 1177569801 /nfs/dbraw/zinc/56/98/01/1177569801.db2.gz KHANXQQUZPXBOB-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001691856500 1177570056 /nfs/dbraw/zinc/57/00/56/1177570056.db2.gz KHANXQQUZPXBOB-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001691856501 1177571685 /nfs/dbraw/zinc/57/16/85/1177571685.db2.gz KHANXQQUZPXBOB-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)[C@@H]1C ZINC001691654374 1177580423 /nfs/dbraw/zinc/58/04/23/1177580423.db2.gz PROPRNQUMSOFOW-KHYOSLBOSA-N 0 3 321.424 3.078 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001691656792 1177595303 /nfs/dbraw/zinc/59/53/03/1177595303.db2.gz NLXIXYMHHKZGKS-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001691665464 1177618197 /nfs/dbraw/zinc/61/81/97/1177618197.db2.gz FFRANOOXOKZPGV-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001691682146 1177684398 /nfs/dbraw/zinc/68/43/98/1177684398.db2.gz ISZGLTPGGVHDOL-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2sc(C)nc2C)CC1 ZINC001752900331 1177696153 /nfs/dbraw/zinc/69/61/53/1177696153.db2.gz XVKYUDJKHUQVPM-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001671084776 1177774740 /nfs/dbraw/zinc/77/47/40/1177774740.db2.gz HJIWJZSGNOAXBN-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001671084777 1177775064 /nfs/dbraw/zinc/77/50/64/1177775064.db2.gz HJIWJZSGNOAXBN-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001274622973 1177918647 /nfs/dbraw/zinc/91/86/47/1177918647.db2.gz HZWPDNSUGIUOTG-FUHWJXTLSA-N 0 3 315.461 3.215 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001331406105 1178205841 /nfs/dbraw/zinc/20/58/41/1178205841.db2.gz NKHOVVRTEWFCFV-CVEARBPZSA-N 0 3 318.436 3.050 20 30 DGEDHN CCCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001331849134 1178290211 /nfs/dbraw/zinc/29/02/11/1178290211.db2.gz ASJRQLRWZQJSGF-CZUORRHYSA-N 0 3 319.474 3.279 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ncccc1C(F)(F)F)C2 ZINC001331906999 1178304251 /nfs/dbraw/zinc/30/42/51/1178304251.db2.gz VEENAAVQZYOZBY-AWEZNQCLSA-N 0 3 317.314 3.229 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001332010299 1178334723 /nfs/dbraw/zinc/33/47/23/1178334723.db2.gz AUDVJHPAODTMEX-OXJNMPFZSA-N 0 3 324.468 3.099 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC001332734988 1178487157 /nfs/dbraw/zinc/48/71/57/1178487157.db2.gz HNLYUKLERFJKBP-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)C(C)C ZINC001332740454 1178488422 /nfs/dbraw/zinc/48/84/22/1178488422.db2.gz LVQFYECGNSMMCV-KRWDZBQOSA-N 0 3 318.461 3.117 20 30 DGEDHN C[C@@H](NCCN1c2ccccc2CC[C@@H]1C)c1cc(C#N)ccn1 ZINC001333149633 1178563504 /nfs/dbraw/zinc/56/35/04/1178563504.db2.gz LHISRZMIXJVKEN-JKSUJKDBSA-N 0 3 320.440 3.445 20 30 DGEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@H](O)CC#N ZINC001333330593 1178590129 /nfs/dbraw/zinc/59/01/29/1178590129.db2.gz VXSCDSIWTTXHTN-BXUZGUMPSA-N 0 3 301.415 3.044 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001333386046 1178598429 /nfs/dbraw/zinc/59/84/29/1178598429.db2.gz CJDAIXJPRUKMQF-MRXNPFEDSA-N 0 3 313.445 3.051 20 30 DGEDHN CC(C)(C)C(=O)N1CCN(CC2CCC(C#N)CC2)C(C)(C)C1 ZINC001333911542 1178694412 /nfs/dbraw/zinc/69/44/12/1178694412.db2.gz JFOAHWIGMKPSKE-UHFFFAOYSA-N 0 3 319.493 3.285 20 30 DGEDHN Cc1cc(C#N)cc(C)c1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001334750582 1178789895 /nfs/dbraw/zinc/78/98/95/1178789895.db2.gz FXBDLDGNGBLAQG-HNNXBMFYSA-N 0 3 308.385 3.034 20 30 DGEDHN C=C(C)CCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001336062754 1178987683 /nfs/dbraw/zinc/98/76/83/1178987683.db2.gz YQXFSXLKGVVGAH-UHFFFAOYSA-N 0 3 301.434 3.123 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC001341431398 1179007177 /nfs/dbraw/zinc/00/71/77/1179007177.db2.gz WLFRVKYKPGXXJT-AWEZNQCLSA-N 0 3 318.808 3.148 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)CCC[C@H]2CC ZINC001341670364 1179044637 /nfs/dbraw/zinc/04/46/37/1179044637.db2.gz RMTFAXQXWZOLAB-ZJUUUORDSA-N 0 3 313.854 3.381 20 30 DGEDHN N#CCCc1ccc(NC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001341748805 1179057220 /nfs/dbraw/zinc/05/72/20/1179057220.db2.gz JHPWWXRUPQUUOT-UHFFFAOYSA-N 0 3 311.410 3.102 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccn(C(C)C)n3)nc21 ZINC001341787032 1179062530 /nfs/dbraw/zinc/06/25/30/1179062530.db2.gz SDQLYQSGJPNJRK-CQSZACIVSA-N 0 3 321.384 3.068 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3ccn(C(C)C)n3)[nH]c21 ZINC001341787032 1179062538 /nfs/dbraw/zinc/06/25/38/1179062538.db2.gz SDQLYQSGJPNJRK-CQSZACIVSA-N 0 3 321.384 3.068 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1csc2ccccc21 ZINC001341949162 1179084927 /nfs/dbraw/zinc/08/49/27/1179084927.db2.gz BPDTZVHVCBCIAY-RISCZKNCSA-N 0 3 301.415 3.100 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC001342126996 1179107342 /nfs/dbraw/zinc/10/73/42/1179107342.db2.gz GXLULQABWQPEML-IRXDYDNUSA-N 0 3 324.509 3.482 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001342320171 1179129902 /nfs/dbraw/zinc/12/99/02/1179129902.db2.gz IOBKJULNKQYZRT-CQSZACIVSA-N 0 3 321.371 3.336 20 30 DGEDHN N#CC(C(=O)c1cnn(-c2ccccc2F)c1)c1cccc(F)n1 ZINC001342562506 1179153796 /nfs/dbraw/zinc/15/37/96/1179153796.db2.gz PBXCNPCCJRGCJV-LBPRGKRZSA-N 0 3 324.290 3.036 20 30 DGEDHN N#CC(C(=O)[C@H]1CC=CCC1)c1nccn1Cc1ccccc1 ZINC001342603506 1179159396 /nfs/dbraw/zinc/15/93/96/1179159396.db2.gz KMZUMSAFNGHNOZ-IRXDYDNUSA-N 0 3 305.381 3.464 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccc(OC)cc1)C1CCC1 ZINC001342697473 1179174565 /nfs/dbraw/zinc/17/45/65/1179174565.db2.gz LOAYRTQDHIRUSN-ROUUACIJSA-N 0 3 316.445 3.336 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)C[C@@H](C)CC ZINC001343007210 1179223328 /nfs/dbraw/zinc/22/33/28/1179223328.db2.gz LERKDEQYMWLHKY-HOTGVXAUSA-N 0 3 319.497 3.146 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC001343446049 1179277009 /nfs/dbraw/zinc/27/70/09/1179277009.db2.gz YZPYIHAULLRVGR-YJBOKZPZSA-N 0 3 315.461 3.148 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN([C@@H]3CCc4c3cccc4F)C2)nc1 ZINC001343789975 1179333179 /nfs/dbraw/zinc/33/31/79/1179333179.db2.gz LYNNQSOVKDGPPM-KBXCAEBGSA-N 0 3 323.371 3.233 20 30 DGEDHN N#CC(C(=O)CCc1cccc(F)c1F)c1cccc(F)n1 ZINC001344003702 1179363119 /nfs/dbraw/zinc/36/31/19/1179363119.db2.gz AIXNBWCIABJNBQ-NSHDSACASA-N 0 3 304.271 3.308 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NC1CC2(CC2(F)F)C1 ZINC001344045054 1179370793 /nfs/dbraw/zinc/37/07/93/1179370793.db2.gz YCZTYHWYVPQALG-JVWICGRDSA-N 0 3 302.409 3.368 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C)c1Cl ZINC001344322561 1179412356 /nfs/dbraw/zinc/41/23/56/1179412356.db2.gz RUJFFBIJYWSWLL-CYBMUJFWSA-N 0 3 301.777 3.284 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccc(F)cn1 ZINC001479820229 1179464515 /nfs/dbraw/zinc/46/45/15/1179464515.db2.gz KIVYJZMQWYAQQO-YOEHRIQHSA-N 0 3 319.424 3.046 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344868773 1179488627 /nfs/dbraw/zinc/48/86/27/1179488627.db2.gz GKRDKFOAYGJLNL-FJIDUMEYSA-N 0 3 324.424 3.180 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC001345647214 1179585986 /nfs/dbraw/zinc/58/59/86/1179585986.db2.gz SLQLEVXGCIHLSU-XJKSGUPXSA-N 0 3 311.385 3.282 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1cc(C)cc(C)c1 ZINC001345646788 1179586014 /nfs/dbraw/zinc/58/60/14/1179586014.db2.gz ONUOMSNUCBZNEZ-MRXNPFEDSA-N 0 3 311.385 3.165 20 30 DGEDHN C#CCC[C@@H](O)CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001621052451 1192969474 /nfs/dbraw/zinc/96/94/74/1192969474.db2.gz XKTQIIHLCXUVPW-OAHLLOKOSA-N 0 3 303.789 3.464 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1cccs1 ZINC001346095806 1179652556 /nfs/dbraw/zinc/65/25/56/1179652556.db2.gz JVDTXFOKGWAUNS-NSHDSACASA-N 0 3 307.806 3.334 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc(C4CC4)no3)nc21 ZINC001347052507 1179772429 /nfs/dbraw/zinc/77/24/29/1179772429.db2.gz SDKXWNGOFPURCP-ZDUSSCGKSA-N 0 3 320.352 3.156 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc2[nH]ccc2c1 ZINC001349701452 1179935099 /nfs/dbraw/zinc/93/50/99/1179935099.db2.gz GDHVFFAGUQZRIS-HNNXBMFYSA-N 0 3 306.369 3.193 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602837659 1192999637 /nfs/dbraw/zinc/99/96/37/1192999637.db2.gz CGOUCIIQEGSZSY-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602837659 1192999639 /nfs/dbraw/zinc/99/96/39/1192999639.db2.gz CGOUCIIQEGSZSY-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602837659 1192999642 /nfs/dbraw/zinc/99/96/42/1192999642.db2.gz CGOUCIIQEGSZSY-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602837659 1192999646 /nfs/dbraw/zinc/99/96/46/1192999646.db2.gz CGOUCIIQEGSZSY-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CCOC(C)C)CCC1 ZINC001480325017 1180370522 /nfs/dbraw/zinc/37/05/22/1180370522.db2.gz SIMVUKQGAOPKGM-QGZVFWFLSA-N 0 3 322.493 3.129 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 ZINC001300140328 1180416980 /nfs/dbraw/zinc/41/69/80/1180416980.db2.gz DGKHIQAZRLWFCW-QGZVFWFLSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2oc(C(C)C)nc2C)C1 ZINC001100171969 1180419759 /nfs/dbraw/zinc/41/97/59/1180419759.db2.gz RWMMKVOEFMZZFL-UHFFFAOYSA-N 0 3 319.449 3.057 20 30 DGEDHN C#CCCCC(=O)NCC1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001100285611 1180530216 /nfs/dbraw/zinc/53/02/16/1180530216.db2.gz OCVQJUNNEPEVNQ-FHERZECASA-N 0 3 316.420 3.175 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H]1CCC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001480532186 1180613149 /nfs/dbraw/zinc/61/31/49/1180613149.db2.gz CJKBVIVEPFAUBQ-QWHCGFSZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cc(C)ccc2F)CCC1 ZINC001480533542 1180615460 /nfs/dbraw/zinc/61/54/60/1180615460.db2.gz WFAMINJRUVWRJM-OAHLLOKOSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC001353748232 1180641801 /nfs/dbraw/zinc/64/18/01/1180641801.db2.gz CKXVRTJMFNXCON-KGLIPLIRSA-N 0 3 314.351 3.132 20 30 DGEDHN C[C@@H](NC[C@H](O)CC#N)c1cccc(OCc2ccccc2)c1 ZINC001354711095 1180883244 /nfs/dbraw/zinc/88/32/44/1180883244.db2.gz BQQDOSQGPUARIZ-CRAIPNDOSA-N 0 3 310.397 3.191 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001200794954 1180915147 /nfs/dbraw/zinc/91/51/47/1180915147.db2.gz RNIYKDJUGYUVEJ-UHFFFAOYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001100719957 1180964810 /nfs/dbraw/zinc/96/48/10/1180964810.db2.gz AOGULHZATXGVGO-NRXISQOPSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H](C)CCC ZINC001356557326 1181214708 /nfs/dbraw/zinc/21/47/08/1181214708.db2.gz PVRNBIJKKJWQPA-JKSUJKDBSA-N 0 3 319.497 3.288 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001357273288 1181377463 /nfs/dbraw/zinc/37/74/63/1181377463.db2.gz IFYHLPGBLBXADQ-XQQFMLRXSA-N 0 3 306.372 3.155 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1cccc(F)n1 ZINC001357689037 1181419187 /nfs/dbraw/zinc/41/91/87/1181419187.db2.gz IZARMFJWZXLXCA-DTWKUNHWSA-N 0 3 301.148 3.371 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2conc2C)CCCC1 ZINC001480816252 1181694032 /nfs/dbraw/zinc/69/40/32/1181694032.db2.gz VVTNJEOVDLZOAX-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CCCc2ccccc21 ZINC001439623595 1182010387 /nfs/dbraw/zinc/01/03/87/1182010387.db2.gz HYHNVZGAKMLHLY-VQTJNVASSA-N 0 3 324.468 3.399 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(ccnc2Cl)o1 ZINC001448872782 1182217201 /nfs/dbraw/zinc/21/72/01/1182217201.db2.gz MJMXZBBSAZMLPF-UHFFFAOYSA-N 0 3 321.808 3.061 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001455419647 1182369278 /nfs/dbraw/zinc/36/92/78/1182369278.db2.gz REKHKLPDPHTILV-IAGOWNOFSA-N 0 3 310.482 3.059 20 30 DGEDHN Cc1ccc([C@@H](O)CN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC001460183996 1182660661 /nfs/dbraw/zinc/66/06/61/1182660661.db2.gz HQTKBRTULHCRGV-FQEVSTJZSA-N 0 3 324.424 3.049 20 30 DGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC001460362688 1182683753 /nfs/dbraw/zinc/68/37/53/1182683753.db2.gz NUCDMXLHAPGDCL-CABCVRRESA-N 0 3 304.409 3.119 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)ccc1OC ZINC001460488318 1182692252 /nfs/dbraw/zinc/69/22/52/1182692252.db2.gz NUQFOVVVXQFFJA-IYBDPMFKSA-N 0 3 301.386 3.165 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H]2CCc3cccc4cccc2c43)C1=O ZINC001460811458 1182725758 /nfs/dbraw/zinc/72/57/58/1182725758.db2.gz IGLCSPSGQAZFPH-QZTJIDSGSA-N 0 3 306.409 3.204 20 30 DGEDHN C#C[C@H]1CCCCN1Cc1ccc(C(=O)OC)c2cccnc12 ZINC001460918122 1182740533 /nfs/dbraw/zinc/74/05/33/1182740533.db2.gz OIACBDHKROBCAR-HNNXBMFYSA-N 0 3 308.381 3.009 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2nccnc2c1 ZINC001461475504 1182817780 /nfs/dbraw/zinc/81/77/80/1182817780.db2.gz UMPBYELRQYGCSM-KRWDZBQOSA-N 0 3 300.365 3.279 20 30 DGEDHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN(CCC#N)CC1CC1 ZINC001461896648 1182873153 /nfs/dbraw/zinc/87/31/53/1182873153.db2.gz JYGXWZLNBCNDNW-MRXNPFEDSA-N 0 3 323.481 3.409 20 30 DGEDHN CC(C)(C#N)CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001464785227 1183111811 /nfs/dbraw/zinc/11/18/11/1183111811.db2.gz AYAJOQSBIWCOIZ-KRWDZBQOSA-N 0 3 313.445 3.270 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1ccc(F)cc1F ZINC001467728314 1183284921 /nfs/dbraw/zinc/28/49/21/1183284921.db2.gz FDRAZCJSNCCCOR-UHFFFAOYSA-N 0 3 324.415 3.209 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC001467728236 1183285063 /nfs/dbraw/zinc/28/50/63/1183285063.db2.gz AUFOQNPAXQYEQN-UHFFFAOYSA-N 0 3 320.452 3.460 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001469317858 1183399866 /nfs/dbraw/zinc/39/98/66/1183399866.db2.gz NIXCTCWXATYXFI-NVXWUHKLSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CC1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC001472509260 1183650412 /nfs/dbraw/zinc/65/04/12/1183650412.db2.gz RQXVUCMXDLZLDM-GOSISDBHSA-N 0 3 316.445 3.159 20 30 DGEDHN C=C(C)CCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC001472601060 1183655804 /nfs/dbraw/zinc/65/58/04/1183655804.db2.gz TWYIFTKSTLWHNL-UHFFFAOYSA-N 0 3 306.797 3.006 20 30 DGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN(CCC#N)CC1CC1 ZINC001473204763 1183728652 /nfs/dbraw/zinc/72/86/52/1183728652.db2.gz ZDHZAHDYVMZLJQ-GDBMZVCRSA-N 0 3 321.465 3.115 20 30 DGEDHN CN(Cc1cc2ccccc2[nH]1)C[C@@H](O)c1cccc(C#N)c1 ZINC001473208034 1183730130 /nfs/dbraw/zinc/73/01/30/1183730130.db2.gz GTCGBXRSQPOBRF-LJQANCHMSA-N 0 3 305.381 3.205 20 30 DGEDHN CCC#C[C@H](C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001473267886 1183737341 /nfs/dbraw/zinc/73/73/41/1183737341.db2.gz KNSXSWPFDHNIOX-ZDUSSCGKSA-N 0 3 319.836 3.187 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]12 ZINC001473738146 1183795888 /nfs/dbraw/zinc/79/58/88/1183795888.db2.gz WHDVWUVAMDCWKB-KZNAEPCWSA-N 0 3 303.833 3.317 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1cccnc1-n1cccn1 ZINC001473992036 1183845883 /nfs/dbraw/zinc/84/58/83/1183845883.db2.gz XXWCLJJOTSUBJJ-UHFFFAOYSA-N 0 3 317.396 3.046 20 30 DGEDHN C=CCOc1cccc(CNCc2cccc(-n3cncn3)c2)c1 ZINC001474015296 1183851905 /nfs/dbraw/zinc/85/19/05/1183851905.db2.gz VGDCRGXYOLULJG-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2oc(=O)oc2c1 ZINC001474134002 1183873967 /nfs/dbraw/zinc/87/39/67/1183873967.db2.gz MKOWACGWMYIBHO-OAHLLOKOSA-N 0 3 306.321 3.035 20 30 DGEDHN CSc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1C#N ZINC001474704906 1183964795 /nfs/dbraw/zinc/96/47/95/1183964795.db2.gz ICZMJYMYRZNZCX-UHFFFAOYSA-N 0 3 302.374 3.415 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)C1 ZINC001474760399 1183974897 /nfs/dbraw/zinc/97/48/97/1183974897.db2.gz NOXMBCDLSCTLRD-LORHWOILSA-N 0 3 312.413 3.341 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001478395178 1184149105 /nfs/dbraw/zinc/14/91/05/1184149105.db2.gz XIMRDIFUJDORDQ-WBVHZDCISA-N 0 3 315.461 3.018 20 30 DGEDHN C#C[C@H](CCC)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001478896793 1184184607 /nfs/dbraw/zinc/18/46/07/1184184607.db2.gz RIPFSKRXKLKDFR-HZPDHXFCSA-N 0 3 321.852 3.044 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001479248433 1184215351 /nfs/dbraw/zinc/21/53/51/1184215351.db2.gz AIOIKZATHNCYFV-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001479254486 1184218157 /nfs/dbraw/zinc/21/81/57/1184218157.db2.gz NTPXFNFGPLFMLL-IEBWSBKVSA-N 0 3 324.509 3.306 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC3(C)CC3)C(C)(C)[C@@H]21 ZINC001479615658 1184275669 /nfs/dbraw/zinc/27/56/69/1184275669.db2.gz XDUMKQSEZQIWAB-KBAYOESNSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCN(C[C@@H](F)CC)C[C@H]2C1 ZINC001479667080 1184286705 /nfs/dbraw/zinc/28/67/05/1184286705.db2.gz JOGKPWTVFDVMGB-PMPSAXMXSA-N 0 3 310.457 3.117 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc2ccccn2c1 ZINC001479737578 1184307932 /nfs/dbraw/zinc/30/79/32/1184307932.db2.gz RXOJZOUYKSBQSW-SFHVURJKSA-N 0 3 311.429 3.052 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001479739066 1184308618 /nfs/dbraw/zinc/30/86/18/1184308618.db2.gz PUTKNERGIQFEOP-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccns1 ZINC001479825332 1184338719 /nfs/dbraw/zinc/33/87/19/1184338719.db2.gz PJVXQXWAWFRGRK-GDBMZVCRSA-N 0 3 321.490 3.359 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccns1 ZINC001479825335 1184338762 /nfs/dbraw/zinc/33/87/62/1184338762.db2.gz PJVXQXWAWFRGRK-ZBFHGGJFSA-N 0 3 321.490 3.359 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001479900558 1184370266 /nfs/dbraw/zinc/37/02/66/1184370266.db2.gz UCNWNKPASJVRGJ-INIZCTEOSA-N 0 3 320.481 3.191 20 30 DGEDHN CCC/C=C\CCN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479902775 1184372072 /nfs/dbraw/zinc/37/20/72/1184372072.db2.gz ATURJEBWUCCMAG-ZPUOCTKUSA-N 0 3 304.478 3.363 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001479909995 1184376824 /nfs/dbraw/zinc/37/68/24/1184376824.db2.gz ARECOFJNCHHEEQ-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001479910621 1184377127 /nfs/dbraw/zinc/37/71/27/1184377127.db2.gz FITSQKVJAJCCIG-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001479915322 1184380726 /nfs/dbraw/zinc/38/07/26/1184380726.db2.gz QXGRQVDDBYSVJJ-GOSISDBHSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCCCC(=O)NC[C@H](N[C@H](C)c1ccccc1F)C1CC1 ZINC001480016356 1184412264 /nfs/dbraw/zinc/41/22/64/1184412264.db2.gz PFYUOLPSOJWRJP-KDOFPFPSSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001480094857 1184433014 /nfs/dbraw/zinc/43/30/14/1184433014.db2.gz SIWCAGZNRPNIOR-IXDOHACOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001480095614 1184434237 /nfs/dbraw/zinc/43/42/37/1184434237.db2.gz TVEOCGRPCDESEY-ZACQAIPSSA-N 0 3 302.462 3.066 20 30 DGEDHN CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001480095320 1184434506 /nfs/dbraw/zinc/43/45/06/1184434506.db2.gz NBFHSNZOALHWOS-CALCHBBNSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001480226736 1184464851 /nfs/dbraw/zinc/46/48/51/1184464851.db2.gz WGXHUGKCYJUUDV-OKILXGFUSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001480240487 1184468527 /nfs/dbraw/zinc/46/85/27/1184468527.db2.gz WFJWOJMGTNMVIA-ZNMIVQPWSA-N 0 3 300.874 3.438 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN(CCC(F)(F)F)C2)C1 ZINC001480262717 1184475125 /nfs/dbraw/zinc/47/51/25/1184475125.db2.gz NPONYIUDVXDCOC-CYBMUJFWSA-N 0 3 318.383 3.123 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001480318442 1184490281 /nfs/dbraw/zinc/49/02/81/1184490281.db2.gz ICHHQLCTMABXLF-RURPWVQCSA-N 0 3 312.457 3.332 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](CC)OC1CCCC1 ZINC001480327422 1184494393 /nfs/dbraw/zinc/49/43/93/1184494393.db2.gz FHIYDPUEMKGAIM-WMZOPIPTSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001480394390 1184519746 /nfs/dbraw/zinc/51/97/46/1184519746.db2.gz QUPNPSDILKJHTE-MLSIRXKPSA-N 0 3 324.468 3.349 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001480519124 1184541104 /nfs/dbraw/zinc/54/11/04/1184541104.db2.gz VCLDCVWYQNKQBG-KBPBESRZSA-N 0 3 322.399 3.314 20 30 DGEDHN CC(C)CCCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001480540935 1184544247 /nfs/dbraw/zinc/54/42/47/1184544247.db2.gz YRHZGXZYHFOEHU-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(Cl)ccc1F ZINC001480778087 1184605033 /nfs/dbraw/zinc/60/50/33/1184605033.db2.gz NRZKWNVQUZDQKM-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C[C@H](C(=O)NCC[C@@H](C)NCC(=C)Cl)c1ccccc1 ZINC001480814029 1184615514 /nfs/dbraw/zinc/61/55/14/1184615514.db2.gz ROGHZXIXPCHTQD-ZBFHGGJFSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](CC)SC ZINC001480819747 1184618124 /nfs/dbraw/zinc/61/81/24/1184618124.db2.gz BVNJIOBWUUQTJY-ZIAGYGMSSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](CC)SC ZINC001480819738 1184618500 /nfs/dbraw/zinc/61/85/00/1184618500.db2.gz BVNJIOBWUUQTJY-KBPBESRZSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1(C)CC(=C)C1 ZINC001480830355 1184624649 /nfs/dbraw/zinc/62/46/49/1184624649.db2.gz JWHLSDRFXLRBNU-OAHLLOKOSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1cccc(CC)c1 ZINC001493087833 1184645826 /nfs/dbraw/zinc/64/58/26/1184645826.db2.gz YYXWDINCFOAXLJ-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001493123734 1184652692 /nfs/dbraw/zinc/65/26/92/1184652692.db2.gz LWCKBXDISYYKJP-LJQANCHMSA-N 0 3 324.468 3.021 20 30 DGEDHN CCCN(CCNC(=O)CC1(C)CC1)Cc1ccc(C#N)cc1 ZINC001493308231 1184683790 /nfs/dbraw/zinc/68/37/90/1184683790.db2.gz UNPUJFOEQIDYHM-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)c1cccc(C)c1)C1CC1 ZINC001493418015 1184704081 /nfs/dbraw/zinc/70/40/81/1184704081.db2.gz LDBMMJOFLVVKEG-INIZCTEOSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN(CCNC(=O)C(C)(C)c1ccccc1Cl)C1CC1 ZINC001493435634 1184707502 /nfs/dbraw/zinc/70/75/02/1184707502.db2.gz GDXCMAZIAOMHFU-UHFFFAOYSA-N 0 3 320.864 3.384 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)c1ccco1 ZINC001493851199 1184748884 /nfs/dbraw/zinc/74/88/84/1184748884.db2.gz RLFRYKYBCGOBRT-UHFFFAOYSA-N 0 3 324.424 3.162 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2cccc(F)c2)C1 ZINC001493973327 1184780894 /nfs/dbraw/zinc/78/08/94/1184780894.db2.gz IZTJLEUEDMFWTK-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001494262910 1184840770 /nfs/dbraw/zinc/84/07/70/1184840770.db2.gz ASKOMRGPYNJPMD-OAHLLOKOSA-N 0 3 321.490 3.392 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN([C@H](C)COC)C2)CCCCC1 ZINC001494326600 1184855077 /nfs/dbraw/zinc/85/50/77/1184855077.db2.gz TXSOIAOZHDTFIQ-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001494719596 1184912374 /nfs/dbraw/zinc/91/23/74/1184912374.db2.gz CDAISMNVHOFQFR-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001494722773 1184912605 /nfs/dbraw/zinc/91/26/05/1184912605.db2.gz MCBWRBMGXMSLKS-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC001494727380 1184913895 /nfs/dbraw/zinc/91/38/95/1184913895.db2.gz VBACQNCVNIOMOC-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001494776207 1184924366 /nfs/dbraw/zinc/92/43/66/1184924366.db2.gz JMTKJGUSMSASPP-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2F)C1 ZINC001494873764 1184950927 /nfs/dbraw/zinc/95/09/27/1184950927.db2.gz CLCFDCBNQHPENL-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN([C@H](C)COC)C2)CCCCC1 ZINC001494877149 1184952787 /nfs/dbraw/zinc/95/27/87/1184952787.db2.gz UDNVSOPMYOJJPE-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCC(C)(F)F)C1CC1 ZINC001495255240 1185017339 /nfs/dbraw/zinc/01/73/39/1185017339.db2.gz PMPUBHNNZNEBJO-ZDUSSCGKSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001495355403 1185037722 /nfs/dbraw/zinc/03/77/22/1185037722.db2.gz KPQHGGXDCNPYCB-AWEZNQCLSA-N 0 3 310.825 3.172 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001495724398 1185094716 /nfs/dbraw/zinc/09/47/16/1185094716.db2.gz YHXLALDOIOJVPU-CQSZACIVSA-N 0 3 322.399 3.000 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001496173333 1185143566 /nfs/dbraw/zinc/14/35/66/1185143566.db2.gz STVPTYRLMHHOHI-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2nccs2)[C@@H](C)C1 ZINC001496362199 1185174737 /nfs/dbraw/zinc/17/47/37/1185174737.db2.gz YKKZWLNOZRPFRD-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN CCCC(=O)N1CCCC[C@@H]1CCNCc1ccccc1C#N ZINC001496377031 1185177964 /nfs/dbraw/zinc/17/79/64/1185177964.db2.gz UELYMEIPLJKJOO-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C[C@@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001496524454 1185206867 /nfs/dbraw/zinc/20/68/67/1185206867.db2.gz VTONKLLAYBXDIC-WOJBJXKFSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(C(F)F)CCCC1)C(C)C ZINC001496598820 1185219067 /nfs/dbraw/zinc/21/90/67/1185219067.db2.gz PRVTXISLJGTKDH-GFCCVEGCSA-N 0 3 322.827 3.295 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001496846336 1185258254 /nfs/dbraw/zinc/25/82/54/1185258254.db2.gz GOMSBIFSFDHSAB-AWEZNQCLSA-N 0 3 308.853 3.095 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001497423100 1185330699 /nfs/dbraw/zinc/33/06/99/1185330699.db2.gz FXGFVLSCGYTGBD-OALUTQOASA-N 0 3 312.457 3.032 20 30 DGEDHN N#Cc1cccc(CNC/C=C/CNC(=O)CC2=CCCCC2)c1 ZINC001497541284 1185350718 /nfs/dbraw/zinc/35/07/18/1185350718.db2.gz PCFSLHIKNOJTSK-SNAWJCMRSA-N 0 3 323.440 3.211 20 30 DGEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C[C@@H]2CC=CCC2)cc1 ZINC001497648751 1185368786 /nfs/dbraw/zinc/36/87/86/1185368786.db2.gz APTKEOXKNCWORY-LAQIPUCWSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCC1(C(=O)NC/C=C/CNCc2ccc(F)cc2)CCC1 ZINC001497672064 1185372693 /nfs/dbraw/zinc/37/26/93/1185372693.db2.gz RZBQLJSWARMHLE-ONEGZZNKSA-N 0 3 316.420 3.334 20 30 DGEDHN CCC1(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)CCC1 ZINC001498362006 1185477851 /nfs/dbraw/zinc/47/78/51/1185477851.db2.gz JTANACBSLCQJIB-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@@H](C(=O)N[C@H](C)CN(C)CC=C(C)C)c1ccccc1 ZINC001498458037 1185499991 /nfs/dbraw/zinc/49/99/91/1185499991.db2.gz QTJWNOVZSKOJLZ-SJLPKXTDSA-N 0 3 300.446 3.359 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCc2nc(C)cs2)CCC1 ZINC001498606973 1185523744 /nfs/dbraw/zinc/52/37/44/1185523744.db2.gz QEGDVCQQMNBMLF-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001498815963 1185550967 /nfs/dbraw/zinc/55/09/67/1185550967.db2.gz FOXPBJRQCUTGNZ-FPOVZHCZSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2nccs2)[C@@H](CC)C1 ZINC001498893690 1185565168 /nfs/dbraw/zinc/56/51/68/1185565168.db2.gz KJDQCFYYCVJGMN-LSDHHAIUSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001499022504 1185593069 /nfs/dbraw/zinc/59/30/69/1185593069.db2.gz WZBALMFGVDOLJH-FUHWJXTLSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1ccccc1C ZINC001499061800 1185602244 /nfs/dbraw/zinc/60/22/44/1185602244.db2.gz HAKIBPAPNYGCHA-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001499062179 1185602263 /nfs/dbraw/zinc/60/22/63/1185602263.db2.gz JBLDBKUURMTQIF-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001499067238 1185603666 /nfs/dbraw/zinc/60/36/66/1185603666.db2.gz UBVKSIJCMFFBRJ-INIZCTEOSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCN1CC1CCC1)c1ccccc1 ZINC001499123847 1185616946 /nfs/dbraw/zinc/61/69/46/1185616946.db2.gz DAWPJAKVPHKNJI-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001499137657 1185618318 /nfs/dbraw/zinc/61/83/18/1185618318.db2.gz QJUHWKGMWXNCAC-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001499137656 1185618607 /nfs/dbraw/zinc/61/86/07/1185618607.db2.gz QJUHWKGMWXNCAC-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 ZINC001499344975 1185640544 /nfs/dbraw/zinc/64/05/44/1185640544.db2.gz DZLNVJVBIPBRBD-QGZVFWFLSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C/Cl)C1 ZINC001499480085 1185655001 /nfs/dbraw/zinc/65/50/01/1185655001.db2.gz CDXYERHSOBOJAL-SNWBSQOPSA-N 0 3 310.869 3.408 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001499576736 1185671409 /nfs/dbraw/zinc/67/14/09/1185671409.db2.gz MXEDWIISIGOTEI-FQEVSTJZSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3(CCC)CCC3)C2)C1 ZINC001499574288 1185671594 /nfs/dbraw/zinc/67/15/94/1185671594.db2.gz QJOXMVJERXDICO-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CC/C=C/c3ccccc3)C2)C1 ZINC001499610642 1185677782 /nfs/dbraw/zinc/67/77/82/1185677782.db2.gz RAFWPOIBTSFXOS-ISPXXFMDSA-N 0 3 322.452 3.038 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCc1cnc(C)s1 ZINC001499919300 1185716504 /nfs/dbraw/zinc/71/65/04/1185716504.db2.gz QZPDPWGLZIYHTI-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCc1cnc(C)s1 ZINC001499919301 1185717063 /nfs/dbraw/zinc/71/70/63/1185717063.db2.gz QZPDPWGLZIYHTI-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccccn1)c1ccccc1CC ZINC001501015914 1185856107 /nfs/dbraw/zinc/85/61/07/1185856107.db2.gz PKFOUCHNACVUKZ-IBGZPJMESA-N 0 3 323.440 3.281 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1CC ZINC001501020233 1185857186 /nfs/dbraw/zinc/85/71/86/1185857186.db2.gz ZAZYJCPOVHAVFL-ICSRJNTNSA-N 0 3 324.468 3.376 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1CC ZINC001501020232 1185857636 /nfs/dbraw/zinc/85/76/36/1185857636.db2.gz ZAZYJCPOVHAVFL-AZUAARDMSA-N 0 3 324.468 3.376 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@H](C)CC ZINC001501193837 1185881454 /nfs/dbraw/zinc/88/14/54/1185881454.db2.gz RUBBJAVKROCTJY-QGZVFWFLSA-N 0 3 300.446 3.064 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001501402973 1185901295 /nfs/dbraw/zinc/90/12/95/1185901295.db2.gz BNFKPMXPBXIIPA-KZNAEPCWSA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccccc1F ZINC001501658648 1185917463 /nfs/dbraw/zinc/91/74/63/1185917463.db2.gz VDBCDKQTAQNBQD-UHFFFAOYSA-N 0 3 324.399 3.211 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](F)C1 ZINC001501665780 1185917632 /nfs/dbraw/zinc/91/76/32/1185917632.db2.gz PTPZDJYDPDNXQV-WMLDXEAASA-N 0 3 304.409 3.059 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)[nH]c2C)cc1 ZINC001501681936 1185922305 /nfs/dbraw/zinc/92/23/05/1185922305.db2.gz UJSVGGINYKICRX-HNNXBMFYSA-N 0 3 323.440 3.235 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@H](CC(C)C)c1ccccc1 ZINC001502380710 1185977424 /nfs/dbraw/zinc/97/74/24/1185977424.db2.gz RMLDSWVWEVNYTC-LJQANCHMSA-N 0 3 314.473 3.230 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(C(C)C)c1 ZINC001502387335 1185978446 /nfs/dbraw/zinc/97/84/46/1185978446.db2.gz RYTSUCKGTSANLH-UHFFFAOYSA-N 0 3 300.446 3.227 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001502967757 1186032717 /nfs/dbraw/zinc/03/27/17/1186032717.db2.gz JLBAAWZXASGHEA-JSGCOSHPSA-N 0 3 321.490 3.133 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001505537970 1186099531 /nfs/dbraw/zinc/09/95/31/1186099531.db2.gz RBRNOHMLXOWODU-AXJCJWBSSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCOC1CCCCCC1 ZINC001505979645 1186173405 /nfs/dbraw/zinc/17/34/05/1186173405.db2.gz ZNUVELRRQPJBFS-MRXNPFEDSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001506014649 1186181820 /nfs/dbraw/zinc/18/18/20/1186181820.db2.gz GGGVKMYXXWAYCJ-FCEWJHQRSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001506574315 1186253710 /nfs/dbraw/zinc/25/37/10/1186253710.db2.gz FZCKZQJSQBXRQG-GJZGRUSLSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccc(F)cc2)C(C)(C)C1 ZINC001506749007 1186285867 /nfs/dbraw/zinc/28/58/67/1186285867.db2.gz XCONCKFPQGRAKI-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(C)cc(F)c1 ZINC001506938484 1186317718 /nfs/dbraw/zinc/31/77/18/1186317718.db2.gz SGUSSZMXDAMTMA-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCCNCc2ccns2)CC1 ZINC001506941627 1186318917 /nfs/dbraw/zinc/31/89/17/1186318917.db2.gz IJPUXUGCBOXHOT-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@@H](NCc2ccon2)C(C)C)CC1 ZINC001506990044 1186336089 /nfs/dbraw/zinc/33/60/89/1186336089.db2.gz PGTYKYMKUIDFTD-QGZVFWFLSA-N 0 3 319.449 3.042 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001507076265 1186355654 /nfs/dbraw/zinc/35/56/54/1186355654.db2.gz OQHXWPMWFSEADX-UONOGXRCSA-N 0 3 322.399 3.122 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccc(C)nc1C ZINC001507114873 1186364342 /nfs/dbraw/zinc/36/43/42/1186364342.db2.gz WKSDMMQJKNHSQA-RDJZCZTQSA-N 0 3 317.477 3.237 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C1CC(C)(C)C1 ZINC001507278748 1186379419 /nfs/dbraw/zinc/37/94/19/1186379419.db2.gz RFQUMHAABJOZLZ-VQIMIIECSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001507275046 1186379715 /nfs/dbraw/zinc/37/97/15/1186379715.db2.gz WYJAHZACRVBABY-WMLDXEAASA-N 0 3 304.409 3.179 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@@H]1C ZINC001507280388 1186380455 /nfs/dbraw/zinc/38/04/55/1186380455.db2.gz MLTXVKYEDMNTBX-DZGCQCFKSA-N 0 3 321.490 3.133 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C1CCCCC1 ZINC001507301308 1186385000 /nfs/dbraw/zinc/38/50/00/1186385000.db2.gz QVJALFHAJKVSJX-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@H]1C ZINC001507316797 1186387821 /nfs/dbraw/zinc/38/78/21/1186387821.db2.gz DQSJFBIEJNTNDE-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001507339665 1186396147 /nfs/dbraw/zinc/39/61/47/1186396147.db2.gz GEOBSTBVMJUHJM-WBVHZDCISA-N 0 3 304.459 3.328 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(CC)ccn1)C(C)C ZINC001507801747 1186444804 /nfs/dbraw/zinc/44/48/04/1186444804.db2.gz JCIUSCFSVXHIIG-UHFFFAOYSA-N 0 3 303.450 3.003 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(CC)CC)CC[C@@H]1C(F)(F)F ZINC001508084367 1186478973 /nfs/dbraw/zinc/47/89/73/1186478973.db2.gz HENKKLNADAFAQJ-KBPBESRZSA-N 0 3 320.399 3.368 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)c3ccccc3)CC2)CC1 ZINC001508161704 1186486433 /nfs/dbraw/zinc/48/64/33/1186486433.db2.gz FOINEVSPVGPNEI-KRWDZBQOSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](CC)CCCC)CC2)CC1 ZINC001508158564 1186486441 /nfs/dbraw/zinc/48/64/41/1186486441.db2.gz NNRJPFDCDSDMIR-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001514986592 1186740619 /nfs/dbraw/zinc/74/06/19/1186740619.db2.gz KJYXZENXYZIRHJ-YJKIEOBBSA-N 0 3 300.383 3.144 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@H]1CCCC1(F)F ZINC001517047441 1186800450 /nfs/dbraw/zinc/80/04/50/1186800450.db2.gz VHEYDMOXRIMJRV-DTWKUNHWSA-N 0 3 301.724 3.075 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCc1ccccc1F ZINC001517065424 1186801235 /nfs/dbraw/zinc/80/12/35/1186801235.db2.gz XYKAVQJKPMJENX-DZGCQCFKSA-N 0 3 313.376 3.487 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC001521282185 1187011096 /nfs/dbraw/zinc/01/10/96/1187011096.db2.gz DGEWVXCFPKZOTM-LLVKDONJSA-N 0 3 323.849 3.250 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCC1(F)F)C(=O)Nc1ccccc1 ZINC001524029599 1187210062 /nfs/dbraw/zinc/21/00/62/1187210062.db2.gz QCYTVOCRPHYHBB-YPMHNXCESA-N 0 3 306.312 3.159 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC001524173965 1187219860 /nfs/dbraw/zinc/21/98/60/1187219860.db2.gz KENLOYFSZFASOA-MRXNPFEDSA-N 0 3 300.446 3.370 20 30 DGEDHN C[C@@H]1[C@@H](C(=O)C(C#N)c2nc(-c3ccncc3)cs2)C1(F)F ZINC001524486917 1187244535 /nfs/dbraw/zinc/24/45/35/1187244535.db2.gz NZMMDEZZYGQZBL-QRTLGDNMSA-N 0 3 319.336 3.283 20 30 DGEDHN N#CC(C(=O)C[C@H]1C=CCC1)c1nccn1Cc1ccccc1 ZINC001524677718 1187259264 /nfs/dbraw/zinc/25/92/64/1187259264.db2.gz NENKZTHWRWPLMP-RDJZCZTQSA-N 0 3 305.381 3.464 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001525199212 1187302110 /nfs/dbraw/zinc/30/21/10/1187302110.db2.gz CBIOSWOBIRBEPW-INIZCTEOSA-N 0 3 313.445 3.025 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(C(F)(F)F)CCCC1 ZINC001656112447 1196005378 /nfs/dbraw/zinc/00/53/78/1196005378.db2.gz AZAYLZLLVLKENR-CYBMUJFWSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C(C)C ZINC001526446813 1187367394 /nfs/dbraw/zinc/36/73/94/1187367394.db2.gz OBEBKNYGCUDDKC-KRWDZBQOSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCc1ccccc1)CCN(C)C ZINC001526716672 1187385994 /nfs/dbraw/zinc/38/59/94/1187385994.db2.gz VNXFRLBCDUIZTP-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN C[C@H]1CCC[C@@H](CCN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC001615163757 1193516361 /nfs/dbraw/zinc/51/63/61/1193516361.db2.gz DFBNHADCFCXBKZ-IRXDYDNUSA-N 0 3 312.461 3.292 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)CC1 ZINC001533942541 1187862080 /nfs/dbraw/zinc/86/20/80/1187862080.db2.gz AYQCBQHIJMXPQQ-UHFFFAOYSA-N 0 3 316.420 3.407 20 30 DGEDHN COCC#CCN(CCc1ccc(OC)cc1)Cc1ccccc1 ZINC001615411422 1193521860 /nfs/dbraw/zinc/52/18/60/1193521860.db2.gz QRCMBEUBNVPMMY-UHFFFAOYSA-N 0 3 323.436 3.390 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC001539244598 1188183468 /nfs/dbraw/zinc/18/34/68/1188183468.db2.gz WHJMJPFPPMAHMN-PMACEKPBSA-N 0 3 322.452 3.245 20 30 DGEDHN C#CCN(C(=O)/C=C\c1cc(C)c(C)cc1C)C1CCN(C)CC1 ZINC001617454906 1193570187 /nfs/dbraw/zinc/57/01/87/1193570187.db2.gz WPIVHBCOKFCBLY-FPLPWBNLSA-N 0 3 324.468 3.181 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC001562939263 1188727267 /nfs/dbraw/zinc/72/72/67/1188727267.db2.gz CGCBCOICPCLOTF-KRWDZBQOSA-N 0 3 312.417 3.005 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001556466334 1189001816 /nfs/dbraw/zinc/00/18/16/1189001816.db2.gz SQUYYQDCKCEIBI-IBGZPJMESA-N 0 3 316.489 3.468 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001556466515 1189002680 /nfs/dbraw/zinc/00/26/80/1189002680.db2.gz BUOOHGFDYGFKRX-UHFFFAOYSA-N 0 3 318.436 3.286 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)c(Cl)cc1F ZINC001556466787 1189003140 /nfs/dbraw/zinc/00/31/40/1189003140.db2.gz MRDWVIOUUUPDLZ-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=CCCC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC001556737724 1189017092 /nfs/dbraw/zinc/01/70/92/1189017092.db2.gz MPVQUDCJIVZTOJ-QYZOEREBSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001556828383 1189023026 /nfs/dbraw/zinc/02/30/26/1189023026.db2.gz QGXSQSPQMWEEHE-ZRDIBKRKSA-N 0 3 324.399 3.063 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1 ZINC001567854359 1189145949 /nfs/dbraw/zinc/14/59/49/1189145949.db2.gz CMDKMRYTUYVELG-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCOCCN1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC001559486206 1189209683 /nfs/dbraw/zinc/20/96/83/1189209683.db2.gz JAVMDSVFUZCPGR-UHFFFAOYSA-N 0 3 301.430 3.303 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC001559939058 1189258673 /nfs/dbraw/zinc/25/86/73/1189258673.db2.gz FXQDECFBFDWRAI-MAUKXSAKSA-N 0 3 314.404 3.056 20 30 DGEDHN C=CCC[C@@H]1CCCN1[C@@H]1CCN(c2ccccc2OC)C1=O ZINC001560200303 1189290211 /nfs/dbraw/zinc/29/02/11/1189290211.db2.gz SEFBSWGOEKMONO-NVXWUHKLSA-N 0 3 314.429 3.231 20 30 DGEDHN C[C@@H](CCc1ccc(F)cc1F)NCC1(C#N)CCOCC1 ZINC001561045137 1189425555 /nfs/dbraw/zinc/42/55/55/1189425555.db2.gz VAOYTQBBSPHZOH-ZDUSSCGKSA-N 0 3 308.372 3.196 20 30 DGEDHN C=C1CN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001564878714 1189602725 /nfs/dbraw/zinc/60/27/25/1189602725.db2.gz OKYICRFQFDECEC-SFHVURJKSA-N 0 3 315.461 3.069 20 30 DGEDHN CCCCO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC001657256025 1196124114 /nfs/dbraw/zinc/12/41/14/1196124114.db2.gz YEHGKCGXXQEHGG-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001566119372 1189738211 /nfs/dbraw/zinc/73/82/11/1189738211.db2.gz HZCIIKNEJZKJKC-MQNTZWLQSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1coc(C(C)(C)C)n1 ZINC001566121974 1189739002 /nfs/dbraw/zinc/73/90/02/1189739002.db2.gz DWIPIJUFQOTFSR-AWEZNQCLSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCC2 ZINC001566125130 1189742488 /nfs/dbraw/zinc/74/24/88/1189742488.db2.gz VWWNKWHIQCOETF-HNNXBMFYSA-N 0 3 318.486 3.349 20 30 DGEDHN C#CCCCC(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001566448637 1189773690 /nfs/dbraw/zinc/77/36/90/1189773690.db2.gz OYPUFXQBJHEUBW-HNNXBMFYSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCc1ccco1 ZINC001566523307 1189789640 /nfs/dbraw/zinc/78/96/40/1189789640.db2.gz CNDNBSABVZCSHH-HOCLYGCPSA-N 0 3 324.852 3.324 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1C ZINC001566526015 1189790621 /nfs/dbraw/zinc/79/06/21/1189790621.db2.gz NPDUBXNPUZHRFB-GJZGRUSLSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1C ZINC001566526014 1189791009 /nfs/dbraw/zinc/79/10/09/1189791009.db2.gz NPDUBXNPUZHRFB-CABCVRRESA-N 0 3 321.852 3.115 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN([C@@H](C)c2cccc(C)c2)C1 ZINC001566621007 1189828948 /nfs/dbraw/zinc/82/89/48/1189828948.db2.gz YCYWSAJJUSCDAO-PKOBYXMFSA-N 0 3 312.457 3.440 20 30 DGEDHN CC(C)c1ccc([C@@H](C)N2CC[C@@H](NC(=O)C#CC3CC3)C2)cc1 ZINC001566663950 1189848519 /nfs/dbraw/zinc/84/85/19/1189848519.db2.gz WYURZZBCYLXGCX-OXQOHEQNSA-N 0 3 324.468 3.475 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001566671416 1189851431 /nfs/dbraw/zinc/85/14/31/1189851431.db2.gz VWYXVUUTPUOVSU-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1ccc(F)cc1F)C1CC1 ZINC001566720188 1189874148 /nfs/dbraw/zinc/87/41/48/1189874148.db2.gz SCBLWHFWHICPMW-INIZCTEOSA-N 0 3 322.399 3.161 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C(C)C ZINC001566754848 1189891770 /nfs/dbraw/zinc/89/17/70/1189891770.db2.gz QABNHJRJJHCWMU-IYBDPMFKSA-N 0 3 315.461 3.393 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001566852065 1189922355 /nfs/dbraw/zinc/92/23/55/1189922355.db2.gz JTROLDLELSRAOF-JKIFEVAISA-N 0 3 321.490 3.099 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC001566876904 1189935621 /nfs/dbraw/zinc/93/56/21/1189935621.db2.gz MTWZEGJBKGGBOV-QGZVFWFLSA-N 0 3 315.461 3.075 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2(CC(C)C)CCCC2)C1 ZINC001566879344 1189936334 /nfs/dbraw/zinc/93/63/34/1189936334.db2.gz KBCJTWLKTOMAGF-GOSISDBHSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001566924475 1189955433 /nfs/dbraw/zinc/95/54/33/1189955433.db2.gz OVCIOTNRZGDVKY-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001567002310 1189988930 /nfs/dbraw/zinc/98/89/30/1189988930.db2.gz QEJVSJSMVNIHTK-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@H](CC(=O)NC[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001567071572 1190020638 /nfs/dbraw/zinc/02/06/38/1190020638.db2.gz SWCRVUFKZGALAO-UONOGXRCSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001567215625 1190074953 /nfs/dbraw/zinc/07/49/53/1190074953.db2.gz CIZZPSMLTDMXRC-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)C/C=C/c2ccccc2)C1 ZINC001567347614 1190144315 /nfs/dbraw/zinc/14/43/15/1190144315.db2.gz JGPSWCMSPSIYJO-DHZHZOJOSA-N 0 3 312.457 3.494 20 30 DGEDHN CCCN(CCNC(=O)[C@@H](C)CC)Cc1ccc(F)c(C#N)c1 ZINC001567422242 1190182051 /nfs/dbraw/zinc/18/20/51/1190182051.db2.gz VCIVBJRFBLYCBD-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccccc1C(C)(C)CC ZINC001567425905 1190185175 /nfs/dbraw/zinc/18/51/75/1190185175.db2.gz HWRSYGPRHSPDLX-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)c1ccccc1C ZINC001567435026 1190190676 /nfs/dbraw/zinc/19/06/76/1190190676.db2.gz YGAQTUKIXARJKH-SFHVURJKSA-N 0 3 314.473 3.340 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001567567004 1190220142 /nfs/dbraw/zinc/22/01/42/1190220142.db2.gz LXCHLIQIUBRJKK-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ncccc1CC)c1ccccc1 ZINC001567661141 1190240572 /nfs/dbraw/zinc/24/05/72/1190240572.db2.gz RAFWUTIZOBUPML-SFHVURJKSA-N 0 3 323.440 3.281 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC001567662859 1190241250 /nfs/dbraw/zinc/24/12/50/1190241250.db2.gz KBQBLDGIJDTPTA-MSOLQXFVSA-N 0 3 312.457 3.283 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1occc1Cl)c1ccccc1 ZINC001567664177 1190242608 /nfs/dbraw/zinc/24/26/08/1190242608.db2.gz VUDUZDCOSPNTQR-AWEZNQCLSA-N 0 3 304.777 3.180 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC001567665848 1190242984 /nfs/dbraw/zinc/24/29/84/1190242984.db2.gz MRMIPOWVNNIHAF-FQEVSTJZSA-N 0 3 320.436 3.422 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(CCC)C(=O)c2ccns2)C1 ZINC001567684865 1190251712 /nfs/dbraw/zinc/25/17/12/1190251712.db2.gz POTBQYIOSCKUMX-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2sccc2OC)C1 ZINC001567688336 1190253717 /nfs/dbraw/zinc/25/37/17/1190253717.db2.gz HJFRTQBHOYSWOU-AWEZNQCLSA-N 0 3 322.474 3.259 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001567761697 1190290205 /nfs/dbraw/zinc/29/02/05/1190290205.db2.gz JQFADMDAQVSKAP-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001567762727 1190291039 /nfs/dbraw/zinc/29/10/39/1190291039.db2.gz HOMHXMIPHAVGQQ-GOSISDBHSA-N 0 3 323.440 3.052 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001567776703 1190295701 /nfs/dbraw/zinc/29/57/01/1190295701.db2.gz MUIQRNVVQLSJMI-HNNXBMFYSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001567831215 1190313329 /nfs/dbraw/zinc/31/33/29/1190313329.db2.gz MBOCTQXADVQHHV-UHFFFAOYSA-N 0 3 312.457 3.311 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001567835629 1190314509 /nfs/dbraw/zinc/31/45/09/1190314509.db2.gz DVRAUSSKRYCSDX-UHFFFAOYSA-N 0 3 314.473 3.399 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001567856834 1190322714 /nfs/dbraw/zinc/32/27/14/1190322714.db2.gz HPBRXRFNRSKTLB-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001567880347 1190331569 /nfs/dbraw/zinc/33/15/69/1190331569.db2.gz FZOOTKYNHQADCX-RBUKOAKNSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001567920639 1190353327 /nfs/dbraw/zinc/35/33/27/1190353327.db2.gz ISNFFVCQJUVNRW-WMZOPIPTSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccccc2F)C1 ZINC001567944006 1190369069 /nfs/dbraw/zinc/36/90/69/1190369069.db2.gz KFZSCQMLDURTPJ-HOTGVXAUSA-N 0 3 318.436 3.428 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)C)NCC#Cc1cccc(Cl)c1 ZINC001567947133 1190370416 /nfs/dbraw/zinc/37/04/16/1190370416.db2.gz GFKSYEJQYFIIIU-KRWDZBQOSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@@H](CNC(=O)/C=C\C(C)(C)C)NCC#Cc1ccccc1 ZINC001567952259 1190372717 /nfs/dbraw/zinc/37/27/17/1190372717.db2.gz GPKPCQSHPZYWRE-HWOXTHGCSA-N 0 3 312.457 3.125 20 30 DGEDHN CC[C@@H](C)C(=O)NC[C@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001567951781 1190373193 /nfs/dbraw/zinc/37/31/93/1190373193.db2.gz RNPGEZYHPKPSQQ-PBHICJAKSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ncc(C)cc2C)CCCC1 ZINC001568001721 1190394196 /nfs/dbraw/zinc/39/41/96/1190394196.db2.gz LMIWCKCDJLVEFN-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCC(C)(C)C1)C1CC1 ZINC001568027668 1190401730 /nfs/dbraw/zinc/40/17/30/1190401730.db2.gz GKUIEMHAXIIVOQ-SUMWQHHRSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001568101019 1190420715 /nfs/dbraw/zinc/42/07/15/1190420715.db2.gz HZOWSZQYWHEZJA-IYARVYRRSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCCC(=O)NCc1ccc(CNCc2cccnc2C)cc1 ZINC001568116081 1190425750 /nfs/dbraw/zinc/42/57/50/1190425750.db2.gz AKQXHXLDNYTZQK-UHFFFAOYSA-N 0 3 323.440 3.262 20 30 DGEDHN CCC(=O)NCC1(NCC#Cc2cccc(Cl)c2)CCCC1 ZINC001568229998 1190454563 /nfs/dbraw/zinc/45/45/63/1190454563.db2.gz SCBZLJHWTMJBJS-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CCC(F)(F)F)CCCC1 ZINC001568232895 1190456671 /nfs/dbraw/zinc/45/66/71/1190456671.db2.gz KUCQKRXBGIJAEN-UHFFFAOYSA-N 0 3 312.763 3.100 20 30 DGEDHN C/C=C(/C)C(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001568265121 1190467369 /nfs/dbraw/zinc/46/73/69/1190467369.db2.gz SUFRNKDJDWSGAI-NUKWSGDCSA-N 0 3 318.848 3.094 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CCCC12CC2 ZINC001568280737 1190471646 /nfs/dbraw/zinc/47/16/46/1190471646.db2.gz BWCGMKKBJOHGCM-PKOBYXMFSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)CCC1 ZINC001568298093 1190478248 /nfs/dbraw/zinc/47/82/48/1190478248.db2.gz IZNQVQRIKFYKOE-SFHVURJKSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001568302964 1190480012 /nfs/dbraw/zinc/48/00/12/1190480012.db2.gz HEEOJSNIZSHVDB-CYBMUJFWSA-N 0 3 319.474 3.159 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001568393877 1190509599 /nfs/dbraw/zinc/50/95/99/1190509599.db2.gz UWVFVXHUQJODFG-GFCCVEGCSA-N 0 3 308.800 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CC1CC(C)(C)C1)C(C)C ZINC001568460287 1190528656 /nfs/dbraw/zinc/52/86/56/1190528656.db2.gz GQMMSVIGUUIFJW-AWEZNQCLSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1c(F)ccc(F)c1Cl ZINC001568554084 1190564216 /nfs/dbraw/zinc/56/42/16/1190564216.db2.gz IEGGVNIMGCISKC-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001568554074 1190564375 /nfs/dbraw/zinc/56/43/75/1190564375.db2.gz HWTGLHQBVFSFLY-UHFFFAOYSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1sc(C(C)(C)C)nc1C ZINC001568551428 1190564795 /nfs/dbraw/zinc/56/47/95/1190564795.db2.gz DFZIXBTVYOIBLM-UHFFFAOYSA-N 0 3 323.506 3.329 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2c(s1)CCC2 ZINC001568706191 1190580242 /nfs/dbraw/zinc/58/02/42/1190580242.db2.gz ODDHRDWUEVUKLQ-NSHDSACASA-N 0 3 312.866 3.087 20 30 DGEDHN C=CCCC(=O)NC/C=C/CN[C@H]1CCc2c1cc(F)cc2F ZINC001568825142 1190592048 /nfs/dbraw/zinc/59/20/48/1190592048.db2.gz FQDJUUIGMZXDTI-BDUNBXCCSA-N 0 3 320.383 3.180 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1cc(C)sc1C ZINC001568856576 1190595051 /nfs/dbraw/zinc/59/50/51/1190595051.db2.gz DZZZZZQJASOFEA-AATRIKPKSA-N 0 3 306.475 3.483 20 30 DGEDHN CCCC[C@](C)(F)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001569002477 1190606542 /nfs/dbraw/zinc/60/65/42/1190606542.db2.gz DMRBJOMPMCRIHU-APWZRJJASA-N 0 3 318.436 3.051 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001569013591 1190608660 /nfs/dbraw/zinc/60/86/60/1190608660.db2.gz SWGRMHPDRKLVCX-HUUCEWRRSA-N 0 3 306.425 3.331 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001569026375 1190610170 /nfs/dbraw/zinc/61/01/70/1190610170.db2.gz GYIUAVGADCUBAQ-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001569037993 1190611947 /nfs/dbraw/zinc/61/19/47/1190611947.db2.gz CLTGAHVWBVGKPQ-AEOIHIIDSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1cc(C)ns1)C1CC1 ZINC001569304482 1190662771 /nfs/dbraw/zinc/66/27/71/1190662771.db2.gz LWMJEMLEMBJXOC-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001569359928 1190675126 /nfs/dbraw/zinc/67/51/26/1190675126.db2.gz OPWVAWLMKVOPEW-UKRRQHHQSA-N 0 3 304.409 3.293 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1cccnc1C ZINC001569371180 1190680129 /nfs/dbraw/zinc/68/01/29/1190680129.db2.gz SQJPMDPSAWAWKB-INIZCTEOSA-N 0 3 303.450 3.165 20 30 DGEDHN CC#CCCCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001569414544 1190693897 /nfs/dbraw/zinc/69/38/97/1190693897.db2.gz OVEVMGHKALKDQQ-OAHLLOKOSA-N 0 3 316.420 3.319 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(Cl)c(CCC)c2)CC1 ZINC001569426269 1190696353 /nfs/dbraw/zinc/69/63/53/1190696353.db2.gz LFLWQXBNNZEILZ-UHFFFAOYSA-N 0 3 318.848 3.168 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 ZINC001569430579 1190696677 /nfs/dbraw/zinc/69/66/77/1190696677.db2.gz IFEQJQQIUHCNBH-SJLPKXTDSA-N 0 3 312.457 3.078 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCC[C@@H](C)CC)C2)C1 ZINC001569474960 1190704842 /nfs/dbraw/zinc/70/48/42/1190704842.db2.gz PTBBRLCEIXHRTK-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(C)CCN([C@@H](C)c2ccccc2F)CC1 ZINC001569570217 1190718317 /nfs/dbraw/zinc/71/83/17/1190718317.db2.gz KSFWBWCDJSYVQF-KGLIPLIRSA-N 0 3 317.408 3.017 20 30 DGEDHN C[C@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001569570218 1190718424 /nfs/dbraw/zinc/71/84/24/1190718424.db2.gz KSFWBWCDJSYVQF-UONOGXRCSA-N 0 3 317.408 3.017 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)CC)C2 ZINC001569622769 1190725007 /nfs/dbraw/zinc/72/50/07/1190725007.db2.gz SJZUVYYNUNVYSI-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001569637540 1190729398 /nfs/dbraw/zinc/72/93/98/1190729398.db2.gz LIDPBQIWQYBQDH-OAQYLSRUSA-N 0 3 324.468 3.059 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001569649313 1190733249 /nfs/dbraw/zinc/73/32/49/1190733249.db2.gz FPJRNTHUQLDVQU-IBGZPJMESA-N 0 3 312.413 3.132 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001569701910 1190743108 /nfs/dbraw/zinc/74/31/08/1190743108.db2.gz HCOHUKJRFNVECH-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC001569701935 1190743246 /nfs/dbraw/zinc/74/32/46/1190743246.db2.gz HLFLIGLVZYOEBL-LJQANCHMSA-N 0 3 324.468 3.032 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC001569703149 1190743295 /nfs/dbraw/zinc/74/32/95/1190743295.db2.gz LBFGZZXLCIMOLL-ZWKOTPCHSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC001569700594 1190743453 /nfs/dbraw/zinc/74/34/53/1190743453.db2.gz GOCRIOPPYCMOBF-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](CC)CCCC)C1 ZINC001569710324 1190745332 /nfs/dbraw/zinc/74/53/32/1190745332.db2.gz REGKVKNYLRESTA-MJGOQNOKSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2cccc(C)c2)C1 ZINC001569720741 1190749472 /nfs/dbraw/zinc/74/94/72/1190749472.db2.gz SCSLYWZWJQHGRT-FQEVSTJZSA-N 0 3 314.473 3.332 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C/C=C/Cl)C3)CCC1 ZINC001569798814 1190754754 /nfs/dbraw/zinc/75/47/54/1190754754.db2.gz PHNRERNZWXSHKL-BODRFGJMSA-N 0 3 322.880 3.454 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001569871056 1190768082 /nfs/dbraw/zinc/76/80/82/1190768082.db2.gz UDUPBOZHABFOND-OAQYLSRUSA-N 0 3 324.468 3.375 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001569905626 1190771007 /nfs/dbraw/zinc/77/10/07/1190771007.db2.gz XTVFOGTXDNBRIW-RTBURBONSA-N 0 3 323.440 3.090 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](C)c2ccc(CC)cc2)CCC1 ZINC001570121128 1190799855 /nfs/dbraw/zinc/79/98/55/1190799855.db2.gz PRCOINHTLXLLPD-MRXNPFEDSA-N 0 3 312.457 3.004 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc(C)nc2C)CC1 ZINC001570170771 1190805856 /nfs/dbraw/zinc/80/58/56/1190805856.db2.gz JRSXMUAKEXPICB-SFHVURJKSA-N 0 3 315.461 3.135 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2c(C)noc2C)CC1 ZINC001570181049 1190808941 /nfs/dbraw/zinc/80/89/41/1190808941.db2.gz BTUSBQGISRFEPP-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C[C@@H](F)CC)CC2)CCC1 ZINC001570183022 1190810038 /nfs/dbraw/zinc/81/00/38/1190810038.db2.gz AVJKGRHYYSQPPP-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC001570183095 1190810305 /nfs/dbraw/zinc/81/03/05/1190810305.db2.gz CDCYSYPSWXHYKK-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC001570183923 1190810357 /nfs/dbraw/zinc/81/03/57/1190810357.db2.gz UDRSGUJYDKPNPS-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@H](C)CC)C2 ZINC001570275091 1190835583 /nfs/dbraw/zinc/83/55/83/1190835583.db2.gz PAGFDGVOGMQIDU-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCN1Cc2ccc(CNC(=O)C#CC3CC3)cc2C1 ZINC001570312761 1190838123 /nfs/dbraw/zinc/83/81/23/1190838123.db2.gz KEFMQVMEOGKGBT-UHFFFAOYSA-N 0 3 310.441 3.222 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)C(C)(C)C1 ZINC001570400210 1190853273 /nfs/dbraw/zinc/85/32/73/1190853273.db2.gz TURDKFXVUGFOPS-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C)CC ZINC001570476443 1190866623 /nfs/dbraw/zinc/86/66/23/1190866623.db2.gz CICOZTUXKRILGP-YJBOKZPZSA-N 0 3 300.446 3.324 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1c2ccccc2CCN1CCCC=C ZINC001570477516 1190867296 /nfs/dbraw/zinc/86/72/96/1190867296.db2.gz VAJFYAZWGJLFSP-FQEVSTJZSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1sc(C(C)C)nc1C ZINC001570544718 1190883570 /nfs/dbraw/zinc/88/35/70/1190883570.db2.gz BWVLOPNTSJHMJA-CQSZACIVSA-N 0 3 321.490 3.297 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1sc(C)cc1C ZINC001570544991 1190884497 /nfs/dbraw/zinc/88/44/97/1190884497.db2.gz IXHFWCTYKHGAPD-HNNXBMFYSA-N 0 3 306.475 3.016 20 30 DGEDHN C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](C)NCC#Cc1ccccc1 ZINC001570593465 1190895452 /nfs/dbraw/zinc/89/54/52/1190895452.db2.gz RFRZGOACRQYYJS-IMIANULMSA-N 0 3 312.457 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001570624346 1190904187 /nfs/dbraw/zinc/90/41/87/1190904187.db2.gz KMCLJMKCEYNSIX-KGLIPLIRSA-N 0 3 306.425 3.411 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001570841607 1190964444 /nfs/dbraw/zinc/96/44/44/1190964444.db2.gz PBPUZIVJVNKEJB-OAHLLOKOSA-N 0 3 300.446 3.225 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CC2(C=C)CCCCC2)C(C)(C)C1 ZINC001570905446 1190974382 /nfs/dbraw/zinc/97/43/82/1190974382.db2.gz SZIVXWZWDBHFEI-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC001571322390 1190991872 /nfs/dbraw/zinc/99/18/72/1190991872.db2.gz PAGKHFXZCNHBLK-HUUCEWRRSA-N 0 3 308.853 3.417 20 30 DGEDHN C[C@H](CN(C)C(=O)CCC1(C)CC1)NCc1ccc(C#N)s1 ZINC001571411621 1191018457 /nfs/dbraw/zinc/01/84/57/1191018457.db2.gz HHLSPXGHDQMEDD-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(C2CCCC2)c1 ZINC001571413542 1191018873 /nfs/dbraw/zinc/01/88/73/1191018873.db2.gz VVXUKEYPHMQRII-MRXNPFEDSA-N 0 3 312.457 3.418 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1coc2ccc(Cl)cc21 ZINC001571415463 1191020307 /nfs/dbraw/zinc/02/03/07/1191020307.db2.gz LRGYXFCCOPXSLN-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H](C)CC(C)C)CCC[C@H]12 ZINC001571505759 1191035036 /nfs/dbraw/zinc/03/50/36/1191035036.db2.gz WEKJDLAHLROUSN-ZIFCJYIRSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2scnc2CC)[C@@H]1C ZINC001571518755 1191040622 /nfs/dbraw/zinc/04/06/22/1191040622.db2.gz IXNWYOPNBWULAY-ZFWWWQNUSA-N 0 3 321.490 3.254 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)c(CC)s1)C(C)C ZINC001571616098 1191062548 /nfs/dbraw/zinc/06/25/48/1191062548.db2.gz QLDCEDBNISRGAQ-UHFFFAOYSA-N 0 3 320.502 3.425 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cnc(C)s1)C(C)(C)C ZINC001571629870 1191068496 /nfs/dbraw/zinc/06/84/96/1191068496.db2.gz UYHYTYWSESOXNT-CQSZACIVSA-N 0 3 323.506 3.284 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C=C(CC)CC)CC2)CC1 ZINC001571668054 1191079933 /nfs/dbraw/zinc/07/99/33/1191079933.db2.gz FIJCDYNKVAJVSN-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)c1ccc(Cl)cc1 ZINC001574503731 1191445062 /nfs/dbraw/zinc/44/50/62/1191445062.db2.gz CCGRLAFARBDVKX-IRXDYDNUSA-N 0 3 318.848 3.428 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001574852652 1191454742 /nfs/dbraw/zinc/45/47/42/1191454742.db2.gz XSCOJKUJXIMZBJ-OCCSQVGLSA-N 0 3 308.809 3.193 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1 ZINC001574888901 1191455856 /nfs/dbraw/zinc/45/58/56/1191455856.db2.gz MCBVFAZRYODXHZ-WOJBJXKFSA-N 0 3 320.436 3.177 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC001574903943 1191457801 /nfs/dbraw/zinc/45/78/01/1191457801.db2.gz YCSGTFZRBPQUJH-QGZVFWFLSA-N 0 3 300.446 3.250 20 30 DGEDHN CC#CC[C@H](N)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 ZINC001574973896 1191461459 /nfs/dbraw/zinc/46/14/59/1191461459.db2.gz ZGMWICBTIMGWBL-IBGZPJMESA-N 0 3 320.436 3.250 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC001618813579 1193752948 /nfs/dbraw/zinc/75/29/48/1193752948.db2.gz IRMRHFDXECCDHP-CQSZACIVSA-N 0 3 324.415 3.425 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001618813581 1193753120 /nfs/dbraw/zinc/75/31/20/1193753120.db2.gz ITJPLMSYIZHDPA-SFHVURJKSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1CCc2ccccc21 ZINC001618813890 1193753239 /nfs/dbraw/zinc/75/32/39/1193753239.db2.gz NGJUKMCAPATFFU-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN C=CCN1CC[C@H](N2CCC3(CCc4ccccc4C3)CC2)C1=O ZINC001619651495 1193760166 /nfs/dbraw/zinc/76/01/66/1193760166.db2.gz FJFFKRYMKRFGHQ-IBGZPJMESA-N 0 3 324.468 3.044 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CCCC2)C1 ZINC001620670929 1193789766 /nfs/dbraw/zinc/78/97/66/1193789766.db2.gz AYDFZHQUDDUUOE-HHXXYDBFSA-N 0 3 319.493 3.332 20 30 DGEDHN CCN(Cc1cccc(C#N)n1)[C@H](COC)Cc1ccccc1 ZINC001621178236 1193813610 /nfs/dbraw/zinc/81/36/10/1193813610.db2.gz DAJHTSIFGHEXMU-IBGZPJMESA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2sccc2c1 ZINC001626751222 1194093592 /nfs/dbraw/zinc/09/35/92/1194093592.db2.gz YWFVJEJCBCSLJY-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(SCC)cc1 ZINC001626750809 1194093699 /nfs/dbraw/zinc/09/36/99/1194093699.db2.gz IAXXSBIOOBYECX-UHFFFAOYSA-N 0 3 320.502 3.307 20 30 DGEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)cccc1[O-])C(C)C ZINC001627131287 1194114066 /nfs/dbraw/zinc/11/40/66/1194114066.db2.gz HPCGYNIANCUCDL-INIZCTEOSA-N 0 3 316.445 3.129 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001634645508 1194506999 /nfs/dbraw/zinc/50/69/99/1194506999.db2.gz AAFSBJYRSBANFO-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2cc(C)ccc2o1 ZINC001635752980 1194569315 /nfs/dbraw/zinc/56/93/15/1194569315.db2.gz BALGGCISKLKEFH-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1scc(C)c1Cl ZINC001635757845 1194570713 /nfs/dbraw/zinc/57/07/13/1194570713.db2.gz NMYWSJRMHPJJHN-UHFFFAOYSA-N 0 3 300.855 3.290 20 30 DGEDHN C#CC1(NC(=O)c2cccc(CN3CCCCC3)c2)CCCC1 ZINC001636669833 1194627251 /nfs/dbraw/zinc/62/72/51/1194627251.db2.gz HQUSZLWSTRQKOX-UHFFFAOYSA-N 0 3 310.441 3.348 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001640015737 1194791317 /nfs/dbraw/zinc/79/13/17/1194791317.db2.gz IGBPRZZZSCVJSO-UHFFFAOYSA-N 0 3 320.864 3.338 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(F)c1SC ZINC001640020140 1194791789 /nfs/dbraw/zinc/79/17/89/1194791789.db2.gz OUQOJGWJYZMQAW-UHFFFAOYSA-N 0 3 310.438 3.128 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCC(OC3CCCC3)CC2)c1 ZINC001641667459 1194866284 /nfs/dbraw/zinc/86/62/84/1194866284.db2.gz VHUYXGHQALIOJG-LJQANCHMSA-N 0 3 314.429 3.015 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001642069547 1194886701 /nfs/dbraw/zinc/88/67/01/1194886701.db2.gz IIMYTYGRAKBLIN-LJQANCHMSA-N 0 3 314.473 3.263 20 30 DGEDHN N#C[C@@H](c1ccccc1)N1CCN(CC23CCC(CC2)C3)CC1 ZINC001642109594 1194888301 /nfs/dbraw/zinc/88/83/01/1194888301.db2.gz GPAUUKPEJKGVFP-SYYJFZTOSA-N 0 3 309.457 3.449 20 30 DGEDHN N#CCC1(CN2CCC3(CC2)OCCc2ccsc23)CC1 ZINC001642403444 1194907962 /nfs/dbraw/zinc/90/79/62/1194907962.db2.gz AQKWSCUKOPQXSB-UHFFFAOYSA-N 0 3 302.443 3.306 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cscc1Br ZINC001642917534 1194953734 /nfs/dbraw/zinc/95/37/34/1194953734.db2.gz CQLZRQDUWOLVHY-UHFFFAOYSA-N 0 3 317.296 3.450 20 30 DGEDHN C#CCCCCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001643253091 1195008300 /nfs/dbraw/zinc/00/83/00/1195008300.db2.gz BBRJHSMHDQARSA-RTBURBONSA-N 0 3 303.421 3.370 20 30 DGEDHN COc1ccc(C#N)cc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001644481353 1195112310 /nfs/dbraw/zinc/11/23/10/1195112310.db2.gz VEBHBNSJQRCASH-AZUAARDMSA-N 0 3 304.393 3.340 20 30 DGEDHN CCC#C[C@@H](C)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC001644550528 1195116215 /nfs/dbraw/zinc/11/62/15/1195116215.db2.gz UINCEWYFWKTUNG-APWZRJJASA-N 0 3 304.478 3.291 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC001646287808 1195220536 /nfs/dbraw/zinc/22/05/36/1195220536.db2.gz SFGSXOHDDCYAEY-ZFWWWQNUSA-N 0 3 312.335 3.256 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC001646287805 1195220815 /nfs/dbraw/zinc/22/08/15/1195220815.db2.gz SFGSXOHDDCYAEY-DZGCQCFKSA-N 0 3 312.335 3.256 20 30 DGEDHN CO[C@H](CN1CCc2c(C#N)c(N)sc2C1)C1CCCCC1 ZINC001648528806 1195307074 /nfs/dbraw/zinc/30/70/74/1195307074.db2.gz PKBNEPOGRKLQDF-OAHLLOKOSA-N 0 3 319.474 3.155 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@H]1CC[C@@H](C#N)C1 ZINC001648588279 1195310826 /nfs/dbraw/zinc/31/08/26/1195310826.db2.gz YOXQMTNYXRJQKI-GBRKPNRJSA-N 0 3 319.449 3.200 20 30 DGEDHN C[C@@H]1CC[C@](CO)(NCc2cccc(C#N)c2)c2ccccc21 ZINC001648621151 1195315221 /nfs/dbraw/zinc/31/52/21/1195315221.db2.gz JRPDKULPOQBSJL-FOIQADDNSA-N 0 3 306.409 3.433 20 30 DGEDHN N#Cc1ccc(NCCNCc2ccc(-c3ccccc3)o2)nc1 ZINC001648763568 1195329448 /nfs/dbraw/zinc/32/94/48/1195329448.db2.gz CPAWKILXAZMYMP-UHFFFAOYSA-N 0 3 318.380 3.415 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(C)(NCc2ocnc2C)CC1 ZINC001649458968 1195344383 /nfs/dbraw/zinc/34/43/83/1195344383.db2.gz IWIFBXFRPUAQTR-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN CN1CCC[C@@H]1CNc1cc(C(F)(F)F)c(F)cc1C#N ZINC001651252580 1195433431 /nfs/dbraw/zinc/43/34/31/1195433431.db2.gz JJVZKSWKFXNLRS-SNVBAGLBSA-N 0 3 301.287 3.222 20 30 DGEDHN CCN1C[C@@H](C)N(c2cc(Br)ccc2C#N)C[C@H]1C ZINC001651702769 1195499447 /nfs/dbraw/zinc/49/94/47/1195499447.db2.gz NBJLRPVUSQXTNO-VXGBXAGGSA-N 0 3 322.250 3.240 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(Cc2ccccc2Cl)CC1 ZINC001652100644 1195547998 /nfs/dbraw/zinc/54/79/98/1195547998.db2.gz NHAGFLQYEQZAHB-OAHLLOKOSA-N 0 3 305.853 3.397 20 30 DGEDHN CC(C)[C@H]1C[C@@H](N2CCCC2)CN1c1snc(Cl)c1C#N ZINC001652317669 1195580261 /nfs/dbraw/zinc/58/02/61/1195580261.db2.gz CKZXCSHMROPJIY-DGCLKSJQSA-N 0 3 324.881 3.367 20 30 DGEDHN CC[C@](CNCC#Cc1ccccc1)(C(=O)OC)c1ccccc1 ZINC001652653827 1195632810 /nfs/dbraw/zinc/63/28/10/1195632810.db2.gz AKZWCNZNTVKOKG-OAQYLSRUSA-N 0 3 321.420 3.149 20 30 DGEDHN C[C@H](CCc1cncc2ccccc21)NCC1(C#N)CCOCC1 ZINC001653237714 1195701979 /nfs/dbraw/zinc/70/19/79/1195701979.db2.gz DKPYZBMHZPFHOE-MRXNPFEDSA-N 0 3 323.440 3.466 20 30 DGEDHN C=CC[C@H]1N(CC(=O)NCCOCCC(C)C)CCCC1(C)C ZINC001653459853 1195725862 /nfs/dbraw/zinc/72/58/62/1195725862.db2.gz LTTQCLXAIODHMF-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001653661798 1195742172 /nfs/dbraw/zinc/74/21/72/1195742172.db2.gz BQYPBPUXAQMBGV-DOTOQJQBSA-N 0 3 306.837 3.299 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CCc2ccccc2[C@@H]1CO ZINC001653683339 1195743497 /nfs/dbraw/zinc/74/34/97/1195743497.db2.gz WBWNOXLWACYGQL-FQEVSTJZSA-N 0 3 306.409 3.267 20 30 DGEDHN C#CCCOC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001653725566 1195746228 /nfs/dbraw/zinc/74/62/28/1195746228.db2.gz JMLZXIQRTILYJX-SJLPKXTDSA-N 0 3 314.429 3.304 20 30 DGEDHN CCCCOc1ccc([C@@H](C)NCC#CCOC)cc1OC ZINC001653921843 1195759609 /nfs/dbraw/zinc/75/96/09/1195759609.db2.gz GVAUQWXNGCKCEV-OAHLLOKOSA-N 0 3 305.418 3.175 20 30 DGEDHN C=CCN(CCc1cccc2c1OC(F)(F)O2)[C@@H](C)COC ZINC001654211615 1195784416 /nfs/dbraw/zinc/78/44/16/1195784416.db2.gz SMOIRJKXCKYHMU-LBPRGKRZSA-N 0 3 313.344 3.074 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001654312775 1195792336 /nfs/dbraw/zinc/79/23/36/1195792336.db2.gz WVKJYODEEAASBH-ZDUSSCGKSA-N 0 3 302.846 3.412 20 30 DGEDHN N#Cc1cccc(C2(NC[C@@H]3COC4(CCCCC4)O3)CC2)c1 ZINC001654428287 1195804017 /nfs/dbraw/zinc/80/40/17/1195804017.db2.gz XAAYATOZSBFZBU-QGZVFWFLSA-N 0 3 312.413 3.213 20 30 DGEDHN CCc1ccc2ccccc2c1CN1CCN(CCC#N)CC1 ZINC001655362922 1195907650 /nfs/dbraw/zinc/90/76/50/1195907650.db2.gz BNSHKIZAGIWUGP-UHFFFAOYSA-N 0 3 307.441 3.433 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)CC1 ZINC001655406256 1195913260 /nfs/dbraw/zinc/91/32/60/1195913260.db2.gz HMPDJPAVODKEFV-SUMDDJOVSA-N 0 3 319.493 3.332 20 30 DGEDHN CCCCC1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001655835159 1195968234 /nfs/dbraw/zinc/96/82/34/1195968234.db2.gz ULAIWRKSHIQBFA-UHFFFAOYSA-N 0 3 305.809 3.463 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001656085528 1195997115 /nfs/dbraw/zinc/99/71/15/1195997115.db2.gz UPYDWSTYXJVJKH-UYAOXDASSA-N 0 3 324.468 3.400 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001656089826 1195998950 /nfs/dbraw/zinc/99/89/50/1195998950.db2.gz XEPKCKZZRLZOPS-OAHLLOKOSA-N 0 3 302.418 3.270 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001656105763 1196002195 /nfs/dbraw/zinc/00/21/95/1196002195.db2.gz KSSICCCGXOSPRO-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001656109181 1196004316 /nfs/dbraw/zinc/00/43/16/1196004316.db2.gz GJEHPWDPBCGXAY-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001656187769 1196015346 /nfs/dbraw/zinc/01/53/46/1196015346.db2.gz HWPVWWLOFCENQQ-KKUMJFAQSA-N 0 3 304.409 3.337 20 30 DGEDHN COc1ccc(Cl)cc1[C@H](O)CNCc1cc(C#N)cs1 ZINC001656247614 1196023524 /nfs/dbraw/zinc/02/35/24/1196023524.db2.gz KPYXRHGZQWMCEC-CQSZACIVSA-N 0 3 322.817 3.105 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@](C)(OC)c1ccccc1 ZINC001656280074 1196026612 /nfs/dbraw/zinc/02/66/12/1196026612.db2.gz MIKSBPAZPLBTEA-HXUWFJFHSA-N 0 3 309.409 3.350 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC(C)C)C1 ZINC001656661637 1196059672 /nfs/dbraw/zinc/05/96/72/1196059672.db2.gz IIDKZHFWJXLCDY-RTBURBONSA-N 0 3 312.457 3.030 20 30 DGEDHN N#Cc1ccc(NCCNCc2cc(Cl)ccc2Cl)nc1 ZINC001656725973 1196066026 /nfs/dbraw/zinc/06/60/26/1196066026.db2.gz HKSAXNZLMXRTRL-UHFFFAOYSA-N 0 3 321.211 3.462 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)[C@H]1CC ZINC001656741408 1196067066 /nfs/dbraw/zinc/06/70/66/1196067066.db2.gz NSBGPVIOLXNMLM-YESZJQIVSA-N 0 3 306.494 3.441 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)[C@H]1C ZINC001657040893 1196096173 /nfs/dbraw/zinc/09/61/73/1196096173.db2.gz XVJFNFQSIORSPI-JZXOWHBKSA-N 0 3 300.446 3.020 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)CCCc2ccccc2)[C@H]1C ZINC001657047815 1196096528 /nfs/dbraw/zinc/09/65/28/1196096528.db2.gz KXMWBYIMBJFDJZ-SCTDSRPQSA-N 0 3 314.473 3.410 20 30 DGEDHN CCCCO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC001657256027 1196124676 /nfs/dbraw/zinc/12/46/76/1196124676.db2.gz YEHGKCGXXQEHGG-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN C#Cc1cccc(CNCc2c[nH]nc2-c2ccc(OC)cc2)c1 ZINC001657532768 1196152532 /nfs/dbraw/zinc/15/25/32/1196152532.db2.gz YDPJTJTZOPWVSZ-UHFFFAOYSA-N 0 3 317.392 3.356 20 30 DGEDHN N#Cc1ccc(CCNCc2nccn2-c2ccccc2)cc1 ZINC001657665227 1196167943 /nfs/dbraw/zinc/16/79/43/1196167943.db2.gz AJRFOKFRLBVWTB-UHFFFAOYSA-N 0 3 302.381 3.076 20 30 DGEDHN C#CCN1CCC[C@@H](NCc2ccc(Oc3ccccc3)o2)C1 ZINC001657988268 1196198678 /nfs/dbraw/zinc/19/86/78/1196198678.db2.gz ATFIPBQKTOCFEF-MRXNPFEDSA-N 0 3 310.397 3.259 20 30 DGEDHN C#Cc1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC001658126878 1196214972 /nfs/dbraw/zinc/21/49/72/1196214972.db2.gz ADAHVDUEMNFADC-UHFFFAOYSA-N 0 3 305.356 3.487 20 30 DGEDHN CN1CCN(Cc2ccc(F)c(C#N)c2)CC12CCCCC2 ZINC001658707082 1196290177 /nfs/dbraw/zinc/29/01/77/1196290177.db2.gz UGJFFCYEEQDPOP-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC001658883108 1196313002 /nfs/dbraw/zinc/31/30/02/1196313002.db2.gz DXRNZISJAFRDAA-WMLDXEAASA-N 0 3 319.832 3.353 20 30 DGEDHN C[C@@H]1CC(C)(C)CN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001659025897 1196333796 /nfs/dbraw/zinc/33/37/96/1196333796.db2.gz YUNLQNZDXUWMMX-PBHICJAKSA-N 0 3 311.429 3.174 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](C4CCC4)C3)C2=O)cc1 ZINC001659493857 1196388393 /nfs/dbraw/zinc/38/83/93/1196388393.db2.gz BKBVFBOEFFPPRC-PKOBYXMFSA-N 0 3 323.440 3.176 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC001660117671 1196448315 /nfs/dbraw/zinc/44/83/15/1196448315.db2.gz BIVSGISNJAJCKR-LAUBAEHRSA-N 0 3 324.468 3.379 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(C)Cc1sc(C)nc1C ZINC001660253623 1196462782 /nfs/dbraw/zinc/46/27/82/1196462782.db2.gz LHNNWXZUGLKUEU-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001660426512 1196482569 /nfs/dbraw/zinc/48/25/69/1196482569.db2.gz QFOAOGISGAZXNH-NVXWUHKLSA-N 0 3 316.445 3.331 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001660448139 1196485284 /nfs/dbraw/zinc/48/52/84/1196485284.db2.gz VYSNNWUITDFCOJ-KBPBESRZSA-N 0 3 316.848 3.380 20 30 DGEDHN C=CCC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001660485036 1196489986 /nfs/dbraw/zinc/48/99/86/1196489986.db2.gz YOPUYAHAXXCXGR-CYBMUJFWSA-N 0 3 305.334 3.434 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC001660686077 1196512503 /nfs/dbraw/zinc/51/25/03/1196512503.db2.gz XUMHDQXYOPWRAU-MOPGFXCFSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001661094159 1196565107 /nfs/dbraw/zinc/56/51/07/1196565107.db2.gz JSXDRWXVRQKFAR-HZPDHXFCSA-N 0 3 310.457 3.404 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](NCc1cc2ccccc2o1)C1CC1 ZINC001661127534 1196570537 /nfs/dbraw/zinc/57/05/37/1196570537.db2.gz PPPDEAPHCBUCHY-GOSISDBHSA-N 0 3 324.424 3.077 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)CCC1 ZINC001661346010 1196596046 /nfs/dbraw/zinc/59/60/46/1196596046.db2.gz DZABMNURJUTUKO-KRWDZBQOSA-N 0 3 316.420 3.263 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001661496116 1196612116 /nfs/dbraw/zinc/61/21/16/1196612116.db2.gz NEYNCMLRRQWHKR-KKUMJFAQSA-N 0 3 316.848 3.284 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2oc(CCC)nc2C)C1 ZINC001661604831 1196623949 /nfs/dbraw/zinc/62/39/49/1196623949.db2.gz CZBITUSLHONMHB-GASCZTMLSA-N 0 3 319.449 3.029 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001661641314 1196627375 /nfs/dbraw/zinc/62/73/75/1196627375.db2.gz ZQAJVKXOYMYDTD-YUELXQCFSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001661659065 1196629186 /nfs/dbraw/zinc/62/91/86/1196629186.db2.gz VKFUJQXNRFEIJB-YESZJQIVSA-N 0 3 320.864 3.245 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001661737993 1196639460 /nfs/dbraw/zinc/63/94/60/1196639460.db2.gz DRZMOYMIIVNZTQ-DLBZAZTESA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001661747862 1196640005 /nfs/dbraw/zinc/64/00/05/1196640005.db2.gz IOYGMAFPWPWMQR-PKOBYXMFSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCCCCCN1CCCC[C@H]1CNC(=O)C(C)(F)F ZINC001661846252 1196649814 /nfs/dbraw/zinc/64/98/14/1196649814.db2.gz JOQKFVPRYSKBPE-AWEZNQCLSA-N 0 3 302.409 3.359 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1Cl ZINC001661881410 1196657665 /nfs/dbraw/zinc/65/76/65/1196657665.db2.gz XQODDKMDXOXLQW-HNNXBMFYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001661886458 1196658836 /nfs/dbraw/zinc/65/88/36/1196658836.db2.gz VEFDISFPJSDHIH-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001661890847 1196659674 /nfs/dbraw/zinc/65/96/74/1196659674.db2.gz MMCYWZYLQUFUCQ-IAGOWNOFSA-N 0 3 316.445 3.001 20 30 DGEDHN C=C1CCC(C(=O)N2CCCC[C@H]2CNC[C@@H](F)CC)CC1 ZINC001661947300 1196665490 /nfs/dbraw/zinc/66/54/90/1196665490.db2.gz UCQPXRUFYBQQNF-IRXDYDNUSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001661990559 1196671710 /nfs/dbraw/zinc/67/17/10/1196671710.db2.gz WBLSHKJIFNUNQL-IELZWVCUSA-N 0 3 324.468 3.025 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001661988956 1196672051 /nfs/dbraw/zinc/67/20/51/1196672051.db2.gz HHZVEFIAHVTFFM-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C[C@@H](CNC(=O)C(C)(C)C1CCC1)NCc1ccc(C#N)s1 ZINC001662293226 1196703654 /nfs/dbraw/zinc/70/36/54/1196703654.db2.gz PKMNJCVZISCKIF-LBPRGKRZSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001662545396 1196729308 /nfs/dbraw/zinc/72/93/08/1196729308.db2.gz GZKUNJIVPWPZKZ-MSOLQXFVSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001662852044 1196761563 /nfs/dbraw/zinc/76/15/63/1196761563.db2.gz YXAHQGWJQPZLQR-KRWDZBQOSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1cc(C)cc(C)c1 ZINC001662994318 1196780870 /nfs/dbraw/zinc/78/08/70/1196780870.db2.gz KHEUXMXONIKVSI-MRXNPFEDSA-N 0 3 322.880 3.473 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001663170536 1196805243 /nfs/dbraw/zinc/80/52/43/1196805243.db2.gz CKQKZLQAAFLCHR-AWEZNQCLSA-N 0 3 306.837 3.253 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)Cc1cccc(Cl)c1 ZINC001663381600 1196851251 /nfs/dbraw/zinc/85/12/51/1196851251.db2.gz MCMJHIOETGARTO-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(-c2ccco2)s1 ZINC001663439379 1196869227 /nfs/dbraw/zinc/86/92/27/1196869227.db2.gz NFFRYOYBLCILGU-UHFFFAOYSA-N 0 3 304.415 3.246 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001663522786 1196894623 /nfs/dbraw/zinc/89/46/23/1196894623.db2.gz DDUDPKBJSCRWOE-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1oc2ccccc2c1CC ZINC001663696262 1196930027 /nfs/dbraw/zinc/93/00/27/1196930027.db2.gz NVQMUDRWGQVBHQ-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC001663710031 1196933152 /nfs/dbraw/zinc/93/31/52/1196933152.db2.gz CWHDVJCMBUXRQT-CHWSQXEVSA-N 0 3 319.836 3.141 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1cccc(F)c1)c1ccccc1 ZINC001664598370 1197019822 /nfs/dbraw/zinc/01/98/22/1197019822.db2.gz JHAXZVCLNXNXOD-GOSISDBHSA-N 0 3 312.388 3.001 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc(C)cc(F)c2)C1 ZINC001664683524 1197033415 /nfs/dbraw/zinc/03/34/15/1197033415.db2.gz KQAPNKKHSILTRR-SFHVURJKSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001664695823 1197038499 /nfs/dbraw/zinc/03/84/99/1197038499.db2.gz SSABHWIOCXDNOI-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001664695823 1197038503 /nfs/dbraw/zinc/03/85/03/1197038503.db2.gz SSABHWIOCXDNOI-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(CCCC)cc1 ZINC001673450454 1197057854 /nfs/dbraw/zinc/05/78/54/1197057854.db2.gz UJPYHBYWPYNXFG-UHFFFAOYSA-N 0 3 314.473 3.446 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCCN1[O-] ZINC001665140942 1197102448 /nfs/dbraw/zinc/10/24/48/1197102448.db2.gz OKVZTSKVLSCQJK-VNQPRFMTSA-N 0 3 322.836 3.336 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001665320120 1197121899 /nfs/dbraw/zinc/12/18/99/1197121899.db2.gz BNNKMMFWIHMTDP-KRWDZBQOSA-N 0 3 314.473 3.454 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001665320332 1197122327 /nfs/dbraw/zinc/12/23/27/1197122327.db2.gz ITUNGARZCHWEGA-MRXNPFEDSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCC(F)(F)C1 ZINC001665410624 1197133747 /nfs/dbraw/zinc/13/37/47/1197133747.db2.gz XKCOMUVNIOCAII-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)[nH]1 ZINC001665413266 1197134386 /nfs/dbraw/zinc/13/43/86/1197134386.db2.gz PNZIAYFSRQHQJN-KBPBESRZSA-N 0 3 321.852 3.313 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)o1 ZINC001665429062 1197136621 /nfs/dbraw/zinc/13/66/21/1197136621.db2.gz PRPCWZZPRIHDTQ-AVGNSLFASA-N 0 3 324.371 3.471 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(CCC)cc2)C1 ZINC001665456660 1197139324 /nfs/dbraw/zinc/13/93/24/1197139324.db2.gz HWGXVXSBSCZWMZ-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC001665494609 1197143832 /nfs/dbraw/zinc/14/38/32/1197143832.db2.gz JXLNUDQQCASGBY-ZDUSSCGKSA-N 0 3 321.490 3.211 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCc2ccc(C)cc2)C1 ZINC001665516423 1197146418 /nfs/dbraw/zinc/14/64/18/1197146418.db2.gz BBVUDDDCWYVCIB-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC[C@H](N(C)C(=O)C#CC(C)C)C2)c1 ZINC001665631830 1197161305 /nfs/dbraw/zinc/16/13/05/1197161305.db2.gz MVSUXKNJTARSJE-MJGOQNOKSA-N 0 3 312.457 3.248 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001665627894 1197161596 /nfs/dbraw/zinc/16/15/96/1197161596.db2.gz ZHQNZMFYZQCTMI-CQSZACIVSA-N 0 3 318.383 3.055 20 30 DGEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)C1=CCCC1)C1CC1 ZINC001665990464 1197224943 /nfs/dbraw/zinc/22/49/43/1197224943.db2.gz FUQKRIFSGLXRTK-OAQYLSRUSA-N 0 3 322.452 3.023 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCC(C)=C(C)C2)cc1 ZINC001666333577 1197253099 /nfs/dbraw/zinc/25/30/99/1197253099.db2.gz XYRWQFOTQNDGLS-IBGZPJMESA-N 0 3 310.441 3.162 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001666462758 1197261446 /nfs/dbraw/zinc/26/14/46/1197261446.db2.gz RMGOWFDMONQVHQ-GFCCVEGCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)Cc2ccco2)CCCC1 ZINC001666795776 1197286330 /nfs/dbraw/zinc/28/63/30/1197286330.db2.gz GKUUPNKBSHBCNY-ZDUSSCGKSA-N 0 3 324.852 3.229 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(C2CCC2)CCC1)C(C)C ZINC001667478858 1197352287 /nfs/dbraw/zinc/35/22/87/1197352287.db2.gz SZLWWABEZHSADS-HNNXBMFYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1oc2ccccc2c1C ZINC001667659756 1197376746 /nfs/dbraw/zinc/37/67/46/1197376746.db2.gz LGTKFXUCEZXHJB-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC001667743667 1197384603 /nfs/dbraw/zinc/38/46/03/1197384603.db2.gz JLGKSDLWFCFJQF-ZFWWWQNUSA-N 0 3 321.490 3.038 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001668040171 1197397032 /nfs/dbraw/zinc/39/70/32/1197397032.db2.gz XXCHHALGOJUISF-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC001668106987 1197399864 /nfs/dbraw/zinc/39/98/64/1197399864.db2.gz RLKONMKXLFOOLN-NWDGAFQWSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cccc(C2CC2)c1 ZINC001668152108 1197401707 /nfs/dbraw/zinc/40/17/07/1197401707.db2.gz DJVAFRGTMCINSC-AWEZNQCLSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCCCC1(F)F ZINC001668153112 1197402280 /nfs/dbraw/zinc/40/22/80/1197402280.db2.gz PPXDNVFQCPWQJT-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001668314438 1197409238 /nfs/dbraw/zinc/40/92/38/1197409238.db2.gz FUNTXBZSOXMCMZ-STQMWFEESA-N 0 3 312.816 3.166 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001668577414 1197420443 /nfs/dbraw/zinc/42/04/43/1197420443.db2.gz ANKMNCSUEMREDW-IBGZPJMESA-N 0 3 314.473 3.278 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1ccc(F)cc1C ZINC001668843759 1197432493 /nfs/dbraw/zinc/43/24/93/1197432493.db2.gz QLPRVRPJLBRRKO-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001669069864 1197439719 /nfs/dbraw/zinc/43/97/19/1197439719.db2.gz LAVWUIVOALJWNR-BBVFFXRHSA-N 0 3 304.478 3.268 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001669799844 1197484439 /nfs/dbraw/zinc/48/44/39/1197484439.db2.gz CCGNXIFXIGBZSH-RDTXWAMCSA-N 0 3 316.420 3.053 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669815729 1197487034 /nfs/dbraw/zinc/48/70/34/1197487034.db2.gz KKNRXSUNWYTKNQ-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001669863179 1197493029 /nfs/dbraw/zinc/49/30/29/1197493029.db2.gz WJQYMSRBVFCCOU-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001669867368 1197494792 /nfs/dbraw/zinc/49/47/92/1197494792.db2.gz FBGZUACBSCXCSP-GPZRYRNASA-N 0 3 312.457 3.330 20 30 DGEDHN C#CCN(C(C)=O)C1CCN(Cc2ccc(CCC)cc2)CC1 ZINC001671447749 1197540825 /nfs/dbraw/zinc/54/08/25/1197540825.db2.gz JYXMFELTAGZFDW-UHFFFAOYSA-N 0 3 312.457 3.085 20 30 DGEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001671648110 1197556578 /nfs/dbraw/zinc/55/65/78/1197556578.db2.gz CNUWOCZFSRWORF-LJQANCHMSA-N 0 3 300.446 3.432 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001671887548 1197581073 /nfs/dbraw/zinc/58/10/73/1197581073.db2.gz QVIYAWWXMNWAOW-UYAOXDASSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccnc2C(F)F)C1 ZINC001671891297 1197581485 /nfs/dbraw/zinc/58/14/85/1197581485.db2.gz AFJRJQLYSMDADO-KRWDZBQOSA-N 0 3 323.387 3.037 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001671898331 1197582038 /nfs/dbraw/zinc/58/20/38/1197582038.db2.gz RLWWKMXLIGWVKV-GOSISDBHSA-N 0 3 304.478 3.361 20 30 DGEDHN CC(C)C#CC(=O)N(CCNC/C=C\Cl)Cc1ccccc1 ZINC001672388748 1197609107 /nfs/dbraw/zinc/60/91/07/1197609107.db2.gz OEVWEVXQDMITBU-WDZFZDKYSA-N 0 3 318.848 3.017 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001672814621 1197623957 /nfs/dbraw/zinc/62/39/57/1197623957.db2.gz ATMXUVACMNRANP-UONOGXRCSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001672814623 1197624127 /nfs/dbraw/zinc/62/41/27/1197624127.db2.gz ATMXUVACMNRANP-ZIAGYGMSSA-N 0 3 300.874 3.249 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)C(C)(F)F)cc1 ZINC001672943455 1197629973 /nfs/dbraw/zinc/62/99/73/1197629973.db2.gz MMTDWPHLQWTIKF-UONOGXRCSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@@H](CC)c2ccc(C)cc2)CCC1 ZINC001673210034 1197643916 /nfs/dbraw/zinc/64/39/16/1197643916.db2.gz KPOGDZYBTLGJOZ-QGZVFWFLSA-N 0 3 312.457 3.140 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC001673479066 1197666191 /nfs/dbraw/zinc/66/61/91/1197666191.db2.gz YXBRXUDSAJNOEW-UHFFFAOYSA-N 0 3 314.454 3.237 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001673634025 1197680824 /nfs/dbraw/zinc/68/08/24/1197680824.db2.gz MTRCFDPDBJMREY-IBGZPJMESA-N 0 3 312.457 3.132 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)Cc3ccc(C)o3)cc2C1 ZINC001673760276 1197690190 /nfs/dbraw/zinc/69/01/90/1197690190.db2.gz HLOCJZOMDRIHJW-UHFFFAOYSA-N 0 3 324.424 3.339 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001673855958 1197698461 /nfs/dbraw/zinc/69/84/61/1197698461.db2.gz WMTRPYQKHJRCHK-WMLDXEAASA-N 0 3 312.413 3.336 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001674140941 1197737882 /nfs/dbraw/zinc/73/78/82/1197737882.db2.gz JDPFSTKXXWNUDU-DOTOQJQBSA-N 0 3 315.461 3.071 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC ZINC001674271603 1197755309 /nfs/dbraw/zinc/75/53/09/1197755309.db2.gz LHZXXSBSEFVUHY-LJQANCHMSA-N 0 3 312.457 3.306 20 30 DGEDHN CCCCCCCN1CCOC2(CCN(C(=O)C3CC3)CC2)C1 ZINC001674275757 1197756086 /nfs/dbraw/zinc/75/60/86/1197756086.db2.gz DPMYGEUSAZBOLH-UHFFFAOYSA-N 0 3 322.493 3.060 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001674624507 1197806443 /nfs/dbraw/zinc/80/64/43/1197806443.db2.gz BXBYDYIYWAGGGP-QWHCGFSZSA-N 0 3 307.463 3.039 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001674958688 1197935249 /nfs/dbraw/zinc/93/52/49/1197935249.db2.gz QAQDAVCIQVJBKQ-INIZCTEOSA-N 0 3 302.462 3.050 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001674979496 1197944563 /nfs/dbraw/zinc/94/45/63/1197944563.db2.gz FLKFYPXMLDTSNF-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CC(F)(F)F)CCCCC1 ZINC001675170108 1197998340 /nfs/dbraw/zinc/99/83/40/1197998340.db2.gz LOGZVBOXEDXMMJ-UHFFFAOYSA-N 0 3 312.763 3.100 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1Cc1scnc1C ZINC001675248094 1198018735 /nfs/dbraw/zinc/01/87/35/1198018735.db2.gz SVESORFLRHCHGR-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)C(C)(C)C1 ZINC001675459239 1198072143 /nfs/dbraw/zinc/07/21/43/1198072143.db2.gz VZGSGRQSLHWGJO-LBPRGKRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCC(F)F)C[C@H]2C1 ZINC001675637024 1198099829 /nfs/dbraw/zinc/09/98/29/1198099829.db2.gz YVUZHIBFPYPQDE-RWMBFGLXSA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(C)(C)CC)C[C@@H]2C1 ZINC001675643898 1198102668 /nfs/dbraw/zinc/10/26/68/1198102668.db2.gz WZYIBBAPMAPNKF-ZNMIVQPWSA-N 0 3 312.885 3.392 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C1=CCCC1 ZINC001675880796 1198165682 /nfs/dbraw/zinc/16/56/82/1198165682.db2.gz RDXCNONZSLLCFN-HNNXBMFYSA-N 0 3 311.429 3.043 20 30 DGEDHN CC(C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001676294826 1198276328 /nfs/dbraw/zinc/27/63/28/1198276328.db2.gz PYGZVVJXXHFJJR-HNNXBMFYSA-N 0 3 320.864 3.174 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)s1 ZINC001676342054 1198295366 /nfs/dbraw/zinc/29/53/66/1198295366.db2.gz OIACZMIBMKSNER-LBPRGKRZSA-N 0 3 312.866 3.142 20 30 DGEDHN C[C@@H](N[C@@H](C)CN(C)C(=O)C#CC1CC1)c1ccccc1Cl ZINC001676347119 1198296251 /nfs/dbraw/zinc/29/62/51/1198296251.db2.gz OMUGBLMEEINISX-UONOGXRCSA-N 0 3 318.848 3.251 20 30 DGEDHN Cc1cccc(C)c1CN(C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001677191914 1198481287 /nfs/dbraw/zinc/48/12/87/1198481287.db2.gz VDMYAZRESLMQPZ-KRWDZBQOSA-N 0 3 315.461 3.132 20 30 DGEDHN C=C(Cl)CNC[C@H](NC(=O)c1cc2occc2[nH]1)C(C)(C)C ZINC001677252931 1198501889 /nfs/dbraw/zinc/50/18/89/1198501889.db2.gz MLHWDAIPQWMCOY-AWEZNQCLSA-N 0 3 323.824 3.248 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001680395994 1198875693 /nfs/dbraw/zinc/87/56/93/1198875693.db2.gz XFXHRODIAFMNQV-SFHVURJKSA-N 0 3 317.477 3.408 20 30 DGEDHN C=CCC[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001680581829 1198895524 /nfs/dbraw/zinc/89/55/24/1198895524.db2.gz YEADTRIZRZMDMM-QZTJIDSGSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001681712761 1199067779 /nfs/dbraw/zinc/06/77/79/1199067779.db2.gz BACDEHFGQSBAFD-MSOLQXFVSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001682110371 1199131226 /nfs/dbraw/zinc/13/12/26/1199131226.db2.gz CEVNIMGHCDFOPH-HZPDHXFCSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001682422999 1199160021 /nfs/dbraw/zinc/16/00/21/1199160021.db2.gz IHWDIPVBMDYEDS-HNNXBMFYSA-N 0 3 323.868 3.454 20 30 DGEDHN C#CCN(C(=O)NCC1CCCCCCC1)C1CCN(C)CC1 ZINC001682798204 1199200036 /nfs/dbraw/zinc/20/00/36/1199200036.db2.gz LOVTUZTWYQESJJ-UHFFFAOYSA-N 0 3 319.493 3.086 20 30 DGEDHN CC[C@H](CC#N)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400734396 1199358275 /nfs/dbraw/zinc/35/82/75/1199358275.db2.gz RJQZRAUGSNZNMV-DZGCQCFKSA-N 0 3 309.454 3.304 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000300845042 1199390019 /nfs/dbraw/zinc/39/00/19/1199390019.db2.gz MVKRCFJEBCCMOT-KGLIPLIRSA-N 0 3 309.454 3.304 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001684619417 1199400696 /nfs/dbraw/zinc/40/06/96/1199400696.db2.gz 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/nfs/dbraw/zinc/99/66/40/1199996640.db2.gz OIVBEFUOCMGVJQ-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)CCC1CCC1 ZINC001753955428 1200048019 /nfs/dbraw/zinc/04/80/19/1200048019.db2.gz AORMJUAAHITNNI-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001753996218 1200063835 /nfs/dbraw/zinc/06/38/35/1200063835.db2.gz BFSQHYSAWXJQHM-DNVCBOLYSA-N 0 3 313.445 3.145 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCCCCC(C)C)C[C@@H]2C1 ZINC001689232608 1200066432 /nfs/dbraw/zinc/06/64/32/1200066432.db2.gz OBLIYCPTODTEAH-MOPGFXCFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CCc1ccccc1C ZINC001754003067 1200067506 /nfs/dbraw/zinc/06/75/06/1200067506.db2.gz ZHTOQMVXZHFOBF-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](OCC)C1CCCC1 ZINC001689350483 1200103266 /nfs/dbraw/zinc/10/32/66/1200103266.db2.gz HFFGXVUNHUCZFS-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccnc(Cl)c2)CCC1 ZINC001754282055 1200170954 /nfs/dbraw/zinc/17/09/54/1200170954.db2.gz KVRQCCXVTPZPQG-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCC[C@H]1CNCc1nc(C)cs1 ZINC001754339892 1200233389 /nfs/dbraw/zinc/23/33/89/1200233389.db2.gz IJRKJTYOCXMBEM-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cscc1Cl ZINC001754378481 1200247393 /nfs/dbraw/zinc/24/73/93/1200247393.db2.gz LXEHTEKWHAUCPQ-UHFFFAOYSA-N 0 3 307.246 3.206 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCC=C(Cl)Cl ZINC001754388646 1200248973 /nfs/dbraw/zinc/24/89/73/1200248973.db2.gz HGCCCVWSVGQQBL-UHFFFAOYSA-N 0 3 307.265 3.346 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001754482766 1200293732 /nfs/dbraw/zinc/29/37/32/1200293732.db2.gz SEEYOPDBVITAAD-QGZVFWFLSA-N 0 3 316.445 3.082 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001754484883 1200296366 /nfs/dbraw/zinc/29/63/66/1200296366.db2.gz KFXQDMHQCDXKFC-KRWDZBQOSA-N 0 3 300.446 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ZINC001754643582 1200411134 /nfs/dbraw/zinc/41/11/34/1200411134.db2.gz CCTUUIVBVJDAAT-RYGJVYDSSA-N 0 3 320.436 3.266 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001690167020 1200430408 /nfs/dbraw/zinc/43/04/08/1200430408.db2.gz PQRDARWDNOUKLW-WFASDCNBSA-N 0 3 319.276 3.392 20 30 DGEDHN Cc1ccc(CN2CC[C@@](C)(NC(=O)C#CC(C)C)C2)cc1C ZINC001754671144 1200430748 /nfs/dbraw/zinc/43/07/48/1200430748.db2.gz VVXKNMAOGDOOJI-HXUWFJFHSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc3cccnc3c2)C1 ZINC001754732276 1200477793 /nfs/dbraw/zinc/47/77/93/1200477793.db2.gz QUZUPTFVTJLCFU-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001690286600 1200478356 /nfs/dbraw/zinc/47/83/56/1200478356.db2.gz XELROJYBTZVWGG-DJIMGWMZSA-N 0 3 318.436 3.473 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001754744112 1200483681 /nfs/dbraw/zinc/48/36/81/1200483681.db2.gz BTGGWYOGQUXWGU-ZIAGYGMSSA-N 0 3 320.399 3.022 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CCCC1)c1ccccc1CC ZINC001754785065 1200487281 /nfs/dbraw/zinc/48/72/81/1200487281.db2.gz HTOFBMTWLMUIAX-LJQANCHMSA-N 0 3 312.457 3.209 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC1CCC1)c1ccccc1CC ZINC001754784870 1200488123 /nfs/dbraw/zinc/48/81/23/1200488123.db2.gz FLRUFBNBNXSDRM-GOSISDBHSA-N 0 3 300.446 3.372 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001754786259 1200489336 /nfs/dbraw/zinc/48/93/36/1200489336.db2.gz WHTXGGJPJFBBOM-SICBVYNQSA-N 0 3 322.880 3.292 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001690383513 1200528751 /nfs/dbraw/zinc/52/87/51/1200528751.db2.gz QENJEHQOFSVWJQ-KRWDZBQOSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CCNCc2cc(F)ccc2F)C1 ZINC001754908422 1200533522 /nfs/dbraw/zinc/53/35/22/1200533522.db2.gz VZMQVRDBKHUUNK-AWEZNQCLSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001754921557 1200538494 /nfs/dbraw/zinc/53/84/94/1200538494.db2.gz 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ZINC001755100721 1200635253 /nfs/dbraw/zinc/63/52/53/1200635253.db2.gz DTMUVHJBTNKHQP-UHFFFAOYSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)C[C@H](C)OC)cc2C1 ZINC001755101095 1200635417 /nfs/dbraw/zinc/63/54/17/1200635417.db2.gz RNPBFHQTYFJPQG-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)C[C@@H](C)OC)cc2C1 ZINC001755101096 1200635804 /nfs/dbraw/zinc/63/58/04/1200635804.db2.gz RNPBFHQTYFJPQG-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001755108780 1200640438 /nfs/dbraw/zinc/64/04/38/1200640438.db2.gz LLSLITUHJKWODY-WMLDXEAASA-N 0 3 318.848 3.080 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC2(C)CCCCC2)C[C@@H]1C ZINC001755162536 1200668616 /nfs/dbraw/zinc/66/86/16/1200668616.db2.gz WGFPXDWSBGAJKE-IRXDYDNUSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(CC1)CN(CCC(C)C)CCO2 ZINC001755174773 1200679930 /nfs/dbraw/zinc/67/99/30/1200679930.db2.gz XZOUEKHBJLWQFS-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001755184038 1200683742 /nfs/dbraw/zinc/68/37/42/1200683742.db2.gz LZCPQXMWDRTWHX-OAHLLOKOSA-N 0 3 318.864 3.294 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C)cc(Cl)c1 ZINC001755196069 1200692711 /nfs/dbraw/zinc/69/27/11/1200692711.db2.gz DOQUATRIJPDOBI-MRXNPFEDSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(OC(C)C)cc1 ZINC001755201940 1200700454 /nfs/dbraw/zinc/70/04/54/1200700454.db2.gz ZBCJCBWEKKXLSK-KRWDZBQOSA-N 0 3 316.445 3.196 20 30 DGEDHN C[C@@H](NC(=O)C1CCCCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001755222566 1200712258 /nfs/dbraw/zinc/71/22/58/1200712258.db2.gz FIUKSTINFNRBLC-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CC1CCCC1 ZINC001755222477 1200712473 /nfs/dbraw/zinc/71/24/73/1200712473.db2.gz DPUHCDFZCLTXGZ-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001755222446 1200712824 /nfs/dbraw/zinc/71/28/24/1200712824.db2.gz DKQBIRMWNRGKID-CABCVRRESA-N 0 3 318.848 3.141 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001755227902 1200717346 /nfs/dbraw/zinc/71/73/46/1200717346.db2.gz XFPVDIDMDKQZBX-HZPDHXFCSA-N 0 3 318.436 3.096 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C=C1CCCCC1 ZINC001755229288 1200718982 /nfs/dbraw/zinc/71/89/82/1200718982.db2.gz YJBNAHOLFUQGFL-MSOLQXFVSA-N 0 3 324.468 3.411 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001690822782 1200735703 /nfs/dbraw/zinc/73/57/03/1200735703.db2.gz MWUGKEXZXVYSHX-GUDVDZBRSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2ccccc2F)C1 ZINC001755252484 1200738462 /nfs/dbraw/zinc/73/84/62/1200738462.db2.gz IJOMLKYQIBJGNL-KBPBESRZSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCC1CCC1 ZINC001755279567 1200760493 /nfs/dbraw/zinc/76/04/93/1200760493.db2.gz UDFSJJHBQVTLEO-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2c(c1)CCCC2 ZINC001690878077 1200760403 /nfs/dbraw/zinc/76/04/03/1200760403.db2.gz RSUKCMWYKNNFEB-CQSZACIVSA-N 0 3 320.864 3.416 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001691811050 1200818723 /nfs/dbraw/zinc/81/87/23/1200818723.db2.gz TYFGHTLCGMTZHF-HAQNSBGRSA-N 0 3 317.260 3.146 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001755366563 1200854004 /nfs/dbraw/zinc/85/40/04/1200854004.db2.gz TWILFDJNRBANBJ-FQEVSTJZSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@H](C)c2ccccc2F)C(C)(C)C1 ZINC001755411620 1200886468 /nfs/dbraw/zinc/88/64/68/1200886468.db2.gz MPMZPWPWJHSEEM-WMLDXEAASA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)CCC)C2)CC1 ZINC001691960282 1200889280 /nfs/dbraw/zinc/88/92/80/1200889280.db2.gz OIEIWPUVRSAFQK-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](CC=C)c2ccccc2)C(C)(C)C1 ZINC001755415674 1200891761 /nfs/dbraw/zinc/89/17/61/1200891761.db2.gz KSNXCLZBMIFJMP-MOPGFXCFSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001755482507 1200914204 /nfs/dbraw/zinc/91/42/04/1200914204.db2.gz YVZZDMTZNNUQOA-QSPRXWTASA-N 0 3 318.848 3.027 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCCC1(C)C ZINC001755513040 1200927698 /nfs/dbraw/zinc/92/76/98/1200927698.db2.gz JEUISIKXQOANRF-ZIAGYGMSSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@H](NCc2ncccc2C)C1 ZINC001692115280 1200934356 /nfs/dbraw/zinc/93/43/56/1200934356.db2.gz GZBKRRCLOUXOQO-KRWDZBQOSA-N 0 3 315.461 3.217 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001755616632 1200992421 /nfs/dbraw/zinc/99/24/21/1200992421.db2.gz VETLOZDFRWBAPJ-CQSZACIVSA-N 0 3 320.502 3.336 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001692260725 1200993343 /nfs/dbraw/zinc/99/33/43/1200993343.db2.gz OZOPEYBEYYPCTJ-OJAHFUOMSA-N 0 3 324.468 3.071 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CSCCC)C1 ZINC001692313340 1201012360 /nfs/dbraw/zinc/01/23/60/1201012360.db2.gz 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ZINC001755842222 1201100979 /nfs/dbraw/zinc/10/09/79/1201100979.db2.gz NYZTYGUWQUJGNC-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)c2cccs2)CC1 ZINC001755844716 1201102498 /nfs/dbraw/zinc/10/24/98/1201102498.db2.gz IAIAGDNIRSOJNL-LSDHHAIUSA-N 0 3 318.486 3.092 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CCN(C[C@H](F)CC)CC2)C1 ZINC001755851511 1201106471 /nfs/dbraw/zinc/10/64/71/1201106471.db2.gz WBZOYYASARNRPG-GOEBONIOSA-N 0 3 310.457 3.308 20 30 DGEDHN C#CCCCCC(=O)NCC1=CCN(Cc2ccc(C)cc2)CC1 ZINC001755883392 1201118643 /nfs/dbraw/zinc/11/86/43/1201118643.db2.gz KNSZSOJGNUMCQO-UHFFFAOYSA-N 0 3 324.468 3.437 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)c2ccco2)c(F)c1 ZINC001755902061 1201126583 /nfs/dbraw/zinc/12/65/83/1201126583.db2.gz MWVQAZCWNSMKSW-ZDUSSCGKSA-N 0 3 316.376 3.114 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001698586600 1201261043 /nfs/dbraw/zinc/26/10/43/1201261043.db2.gz WHOGOTZHDREKBX-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@H](CNC(=O)C=C1CCCCC1)NCC#Cc1ccccc1 ZINC001698593996 1201267511 /nfs/dbraw/zinc/26/75/11/1201267511.db2.gz DKQAFFRPEHTIIK-HXUWFJFHSA-N 0 3 324.468 3.413 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001698595084 1201268889 /nfs/dbraw/zinc/26/88/89/1201268889.db2.gz KAJVSZJVVDFCHW-MSXUNZPYSA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@@H](CNC(=O)c1cc(C)c(C)o1)NCC#Cc1ccccc1 ZINC001698598569 1201269549 /nfs/dbraw/zinc/26/95/49/1201269549.db2.gz WJSGPMRHTMACFP-SFHVURJKSA-N 0 3 324.424 3.046 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H](CC)NCc1ccccn1)c1ccccc1 ZINC001698619069 1201289869 /nfs/dbraw/zinc/28/98/69/1201289869.db2.gz MMLPUEKCDYPIQI-MJGOQNOKSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2ncccc2C)CCCC1 ZINC001698629587 1201297541 /nfs/dbraw/zinc/29/75/41/1201297541.db2.gz BJVGXPZDZKSFOJ-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C#CC(C)(C)C)CCCC[C@@H]1C ZINC001698651934 1201315582 /nfs/dbraw/zinc/31/55/82/1201315582.db2.gz BFSXENKXPUQOIU-KSSFIOAISA-N 0 3 324.896 3.443 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2ccoc2)CCCC[C@H]1C ZINC001698655375 1201319315 /nfs/dbraw/zinc/31/93/15/1201319315.db2.gz PGHDKPGAQHOECE-CXAGYDPISA-N 0 3 324.852 3.229 20 30 DGEDHN C=CCC1(C(=O)NCc2ccc(CNCC#CC)cc2)CCC1 ZINC001698716392 1201355230 /nfs/dbraw/zinc/35/52/30/1201355230.db2.gz MQCURKLPRYAVEO-UHFFFAOYSA-N 0 3 310.441 3.162 20 30 DGEDHN C=CCCC(=O)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC001698720581 1201359042 /nfs/dbraw/zinc/35/90/42/1201359042.db2.gz KIRAVEJAGDXDLH-UHFFFAOYSA-N 0 3 324.468 3.223 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2(C)CCC(C)CC2)cc1 ZINC001698719135 1201359864 /nfs/dbraw/zinc/35/98/64/1201359864.db2.gz GPRQPLUBLXZNGR-UHFFFAOYSA-N 0 3 312.457 3.242 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001698759584 1201395223 /nfs/dbraw/zinc/39/52/23/1201395223.db2.gz GFXUNBWWSHBJRF-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001698800625 1201428799 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CC[C@@H](C)C(=O)NCCCN(CC)CC#Cc1ccc(F)cc1 ZINC001752170009 1201790919 /nfs/dbraw/zinc/79/09/19/1201790919.db2.gz XGMKNXCUCDGVPB-MRXNPFEDSA-N 0 3 318.436 3.052 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001752435307 1201838132 /nfs/dbraw/zinc/83/81/32/1201838132.db2.gz PKEQQISHRIKBKD-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](N[C@H](C)c1ccccc1F)C1CC1 ZINC001752462341 1201845803 /nfs/dbraw/zinc/84/58/03/1201845803.db2.gz DAZSAVLWPJXJBZ-RDTXWAMCSA-N 0 3 316.420 3.031 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001699419577 1201853615 /nfs/dbraw/zinc/85/36/15/1201853615.db2.gz IAJZXNDEGJHUSW-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN Cc1ccc(CN[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)c(Cl)c1 ZINC001752649764 1201884787 /nfs/dbraw/zinc/88/47/87/1201884787.db2.gz BFCSIOGSPSWUTF-WKILWMFISA-N 0 3 318.848 3.045 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001752660660 1201887101 /nfs/dbraw/zinc/88/71/01/1201887101.db2.gz JQQKJTLRHUVENX-QAQDUYKDSA-N 0 3 320.864 3.307 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@@H](C)C(C)(C)C ZINC001699451750 1201889017 /nfs/dbraw/zinc/88/90/17/1201889017.db2.gz YYCYMCGILWJBTQ-HUUCEWRRSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC001699472157 1201918004 /nfs/dbraw/zinc/91/80/04/1201918004.db2.gz RXTWJDBQKYLEDR-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001752786171 1201921885 /nfs/dbraw/zinc/92/18/85/1201921885.db2.gz MIYXPJOOPHADFW-HKUYNNGSSA-N 0 3 315.461 3.012 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001752789608 1201926175 /nfs/dbraw/zinc/92/61/75/1201926175.db2.gz GYERDRKFJUUODK-QUCCMNQESA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)c1ccsc1 ZINC001699533544 1201940596 /nfs/dbraw/zinc/94/05/96/1201940596.db2.gz LZWACEYKNMHUJX-GFCCVEGCSA-N 0 3 300.855 3.042 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccco1 ZINC001752824085 1201949550 /nfs/dbraw/zinc/94/95/50/1201949550.db2.gz PETXZDMHTNEKRQ-CVEARBPZSA-N 0 3 304.434 3.320 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001752826952 1201956072 /nfs/dbraw/zinc/95/60/72/1201956072.db2.gz HDGVEYQEEWQAPM-IBGZPJMESA-N 0 3 324.468 3.102 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001752839479 1201962742 /nfs/dbraw/zinc/96/27/42/1201962742.db2.gz BKVBMXCQGOTONK-HZPDHXFCSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001752839480 1201963080 /nfs/dbraw/zinc/96/30/80/1201963080.db2.gz BKVBMXCQGOTONK-JKSUJKDBSA-N 0 3 318.505 3.299 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001752844564 1201968715 /nfs/dbraw/zinc/96/87/15/1201968715.db2.gz PHOBWHYXFSJXCV-STEDVDCISA-N 0 3 304.478 3.071 20 30 DGEDHN C=CCCC(=O)NC1CCC(NCc2nc(C)sc2C)CC1 ZINC001752848627 1201973608 /nfs/dbraw/zinc/97/36/08/1201973608.db2.gz PAAHVFGYOVIHIF-UHFFFAOYSA-N 0 3 321.490 3.243 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cscn2)[C@@H](CC)C1 ZINC001699609086 1201974437 /nfs/dbraw/zinc/97/44/37/1201974437.db2.gz YVZHDGHGRULIRZ-HOCLYGCPSA-N 0 3 321.490 3.216 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccccc1O ZINC001699614259 1201979521 /nfs/dbraw/zinc/97/95/21/1201979521.db2.gz SBNGEWMZXUOURX-OAHLLOKOSA-N 0 3 304.434 3.167 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001699628072 1201991330 /nfs/dbraw/zinc/99/13/30/1201991330.db2.gz MMJXXWQCGRKYAR-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001699632907 1201995893 /nfs/dbraw/zinc/99/58/93/1201995893.db2.gz KHMLKIHJISXOPF-BBRMVZONSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001699635589 1202001296 /nfs/dbraw/zinc/00/12/96/1202001296.db2.gz WOHMPAANMAXMAO-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001699638579 1202004233 /nfs/dbraw/zinc/00/42/33/1202004233.db2.gz LWIKHPYWQFJSQE-IAGOWNOFSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001699643587 1202009844 /nfs/dbraw/zinc/00/98/44/1202009844.db2.gz ZMFYRXUQQFOYDW-PBHICJAKSA-N 0 3 304.409 3.315 20 30 DGEDHN C=CCCCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001699661486 1202020551 /nfs/dbraw/zinc/02/05/51/1202020551.db2.gz OAPUOAKJNRHROP-AWEZNQCLSA-N 0 3 304.409 3.481 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001699691130 1202037177 /nfs/dbraw/zinc/03/71/77/1202037177.db2.gz YIAIMXNGPYAIIW-ZIFCJYIRSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001699696850 1202038810 /nfs/dbraw/zinc/03/88/10/1202038810.db2.gz JTWOZPAAMYAIOJ-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](CCCC)C(C)C)C2)CC1 ZINC001699700320 1202039694 /nfs/dbraw/zinc/03/96/94/1202039694.db2.gz PHVOJMJONBHNJF-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](CCCC)C(C)C)C2)CC1 ZINC001699700319 1202040553 /nfs/dbraw/zinc/04/05/53/1202040553.db2.gz PHVOJMJONBHNJF-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)CCCCCC)C2)C1 ZINC001699704881 1202042745 /nfs/dbraw/zinc/04/27/45/1202042745.db2.gz FQLPZOCBQDKRDF-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CC[C@H](C)c3ccccc3)C2)C1 ZINC001699706239 1202043942 /nfs/dbraw/zinc/04/39/42/1202043942.db2.gz OZWPGYUYGZWKKP-RXVVDRJESA-N 0 3 324.468 3.128 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(F)c(Cl)c1 ZINC001753012873 1202058386 /nfs/dbraw/zinc/05/83/86/1202058386.db2.gz ONMACBPVMCHMPA-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2oc(C)nc2C)C[C@H]1C ZINC001699735391 1202059903 /nfs/dbraw/zinc/05/99/03/1202059903.db2.gz FDDPJKYTXVXUPH-CJNGLKHVSA-N 0 3 319.449 3.117 20 30 DGEDHN O=C(CC1CC1)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001753022508 1202065443 /nfs/dbraw/zinc/06/54/43/1202065443.db2.gz LBZMLPZJUUAVCC-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN CCC(C)(C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001699757516 1202067584 /nfs/dbraw/zinc/06/75/84/1202067584.db2.gz UZDRGSRWSLZPBX-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCNC[C@H](NC(=O)C=C(C)C)c1ccc2ccccc2c1 ZINC001699788449 1202079379 /nfs/dbraw/zinc/07/93/79/1202079379.db2.gz CXPIJMOLFSHQKG-IBGZPJMESA-N 0 3 306.409 3.186 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001753062110 1202092967 /nfs/dbraw/zinc/09/29/67/1202092967.db2.gz VSUYWGPNNIPZDY-KRWDZBQOSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCc2ccc(C)cc2)C1 ZINC001699826858 1202100930 /nfs/dbraw/zinc/10/09/30/1202100930.db2.gz YCZICYOFYJIBAT-LJQANCHMSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001699827829 1202103600 /nfs/dbraw/zinc/10/36/00/1202103600.db2.gz ZXGYJZKOLRBCGA-KXBFYZLASA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@@H](C(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC001753075674 1202105374 /nfs/dbraw/zinc/10/53/74/1202105374.db2.gz GFRXXQNOCQPHOJ-LJQANCHMSA-N 0 3 308.425 3.204 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccccc2)C1 ZINC001699876898 1202133016 /nfs/dbraw/zinc/13/30/16/1202133016.db2.gz LSEUTBRAEMHYJS-IBGZPJMESA-N 0 3 300.446 3.024 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001753106425 1202138732 /nfs/dbraw/zinc/13/87/32/1202138732.db2.gz OGLYIMSEYWUCIN-SFHVURJKSA-N 0 3 312.457 3.166 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1C ZINC001753120477 1202148866 /nfs/dbraw/zinc/14/88/66/1202148866.db2.gz XHSSCTIAKGXCIV-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001700017901 1202165995 /nfs/dbraw/zinc/16/59/95/1202165995.db2.gz SWKDWVCYLOYDLS-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C=C)c1ccccc1 ZINC001700017595 1202166395 /nfs/dbraw/zinc/16/63/95/1202166395.db2.gz PWXNXRYGHPRNKK-DFQSSKMNSA-N 0 3 322.452 3.045 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](CC)CC(C)C)[C@@H]2C1 ZINC001700020517 1202167410 /nfs/dbraw/zinc/16/74/10/1202167410.db2.gz YCVGYTRSGSLJRG-FGTMMUONSA-N 0 3 304.478 3.005 20 30 DGEDHN CC(C)C#CC(=O)NCCN(Cc1ccc(C2CC2)cc1)C1CC1 ZINC001753153477 1202172340 /nfs/dbraw/zinc/17/23/40/1202172340.db2.gz VDJGIITWDYGQJE-UHFFFAOYSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCN(CCNC(=O)c1csc(C(F)(F)F)c1)C1CC1 ZINC001753157377 1202173028 /nfs/dbraw/zinc/17/30/28/1202173028.db2.gz HUKJERLTUMTRMU-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H]2CC=CCC2)cc1 ZINC001700094870 1202179405 /nfs/dbraw/zinc/17/94/05/1202179405.db2.gz OLIYLISUOVKXCN-IRXDYDNUSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC(C2CC2)C2CC2)cc1 ZINC001700098138 1202180365 /nfs/dbraw/zinc/18/03/65/1202180365.db2.gz DJOQPYSZCPGKPV-OAHLLOKOSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@@](C)(C=C)CC)cccc2C1 ZINC001700122832 1202184462 /nfs/dbraw/zinc/18/44/62/1202184462.db2.gz IMMVUVXTZIQIKB-NRFANRHFSA-N 0 3 324.468 3.287 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2csc(C)c2)CCC1 ZINC001753228490 1202186445 /nfs/dbraw/zinc/18/64/45/1202186445.db2.gz YCZDHHHYRNGJRT-UHFFFAOYSA-N 0 3 306.475 3.351 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(F)c3ccccc23)CCC1 ZINC001700138372 1202190199 /nfs/dbraw/zinc/19/01/99/1202190199.db2.gz SFFZXZYUQFJEKW-UHFFFAOYSA-N 0 3 324.399 3.244 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CCC1 ZINC001700138719 1202190306 /nfs/dbraw/zinc/19/03/06/1202190306.db2.gz HAOASELEFJQBRN-RBUKOAKNSA-N 0 3 324.468 3.059 20 30 DGEDHN C#CCNC1(CNC(=O)c2cccc(C3CCCC3)c2)CCC1 ZINC001700142333 1202191500 /nfs/dbraw/zinc/19/15/00/1202191500.db2.gz SVRYRGKVZONQKG-UHFFFAOYSA-N 0 3 310.441 3.220 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)CCC1 ZINC001700143756 1202191868 /nfs/dbraw/zinc/19/18/68/1202191868.db2.gz XWLYHSXESKHENR-SFHVURJKSA-N 0 3 302.462 3.165 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CCC1(C)C)c1ccccc1 ZINC001753301620 1202201053 /nfs/dbraw/zinc/20/10/53/1202201053.db2.gz MIIPPFWZZNUQKM-IAGOWNOFSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001753319527 1202208441 /nfs/dbraw/zinc/20/84/41/1202208441.db2.gz HCBGDTKUFFLBFV-WMZOPIPTSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001700200050 1202209293 /nfs/dbraw/zinc/20/92/93/1202209293.db2.gz DMMRYTJUDLFUGI-ROUUACIJSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001700200047 1202209370 /nfs/dbraw/zinc/20/93/70/1202209370.db2.gz DMMRYTJUDLFUGI-MSOLQXFVSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCCC(=O)NCC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001753322726 1202210125 /nfs/dbraw/zinc/21/01/25/1202210125.db2.gz PUFILEXLDGEEPB-AWEZNQCLSA-N 0 3 319.474 3.138 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)c2cccs2)C1 ZINC001753325448 1202212650 /nfs/dbraw/zinc/21/26/50/1202212650.db2.gz AHURTVZSHKZRDQ-CVEARBPZSA-N 0 3 318.486 3.188 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001700228388 1202216672 /nfs/dbraw/zinc/21/66/72/1202216672.db2.gz UBEPCCMUJOWQTI-IBGZPJMESA-N 0 3 312.457 3.132 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001700341267 1202241265 /nfs/dbraw/zinc/24/12/65/1202241265.db2.gz LSOCWTFJPBPDNW-OAHLLOKOSA-N 0 3 310.869 3.100 20 30 DGEDHN C=CCCCC(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001753410396 1202244766 /nfs/dbraw/zinc/24/47/66/1202244766.db2.gz FDIOBWAYTVGYQF-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(C)CCC(F)(F)CC1 ZINC001700355427 1202246386 /nfs/dbraw/zinc/24/63/86/1202246386.db2.gz ABBCUPGFWXFYOV-AWEZNQCLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc2ccccc2c1 ZINC001700362665 1202250046 /nfs/dbraw/zinc/25/00/46/1202250046.db2.gz CBLOVEVVTMJNPJ-FQEVSTJZSA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)s1 ZINC001753428034 1202250137 /nfs/dbraw/zinc/25/01/37/1202250137.db2.gz ZCGUEXSJMRPGSZ-HOTGVXAUSA-N 0 3 318.486 3.240 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001700365379 1202252185 /nfs/dbraw/zinc/25/21/85/1202252185.db2.gz OTZVNLHKIGYLAX-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN CC(C)c1ccccc1CN1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001753433744 1202252704 /nfs/dbraw/zinc/25/27/04/1202252704.db2.gz MULRICJGWFIZEK-RDJZCZTQSA-N 0 3 313.445 3.002 20 30 DGEDHN CC(C)c1ccccc1CN1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001753433743 1202252881 /nfs/dbraw/zinc/25/28/81/1202252881.db2.gz MULRICJGWFIZEK-NVXWUHKLSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1cccc(F)c1 ZINC001700366381 1202252922 /nfs/dbraw/zinc/25/29/22/1202252922.db2.gz UPMGDMZEBVJFGM-YOEHRIQHSA-N 0 3 304.409 3.038 20 30 DGEDHN CC(C)c1ccccc1CN1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001753437545 1202254488 /nfs/dbraw/zinc/25/44/88/1202254488.db2.gz LRJHQKYXIQXCDH-LJQANCHMSA-N 0 3 324.468 3.256 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001700388325 1202259022 /nfs/dbraw/zinc/25/90/22/1202259022.db2.gz AAVKZAVLRKESMB-CHWSQXEVSA-N 0 3 319.424 3.116 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccccc2C)C1 ZINC001753459965 1202263813 /nfs/dbraw/zinc/26/38/13/1202263813.db2.gz WAGXSYNBMWBEEB-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN CCCC1(C(=O)NC[C@@H](CC)NCC#Cc2ccccc2)CC1 ZINC001753489268 1202273214 /nfs/dbraw/zinc/27/32/14/1202273214.db2.gz JONIYRBCANRAIV-GOSISDBHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CC(C)(F)F)CCCC[C@H]1C ZINC001753536014 1202285686 /nfs/dbraw/zinc/28/56/86/1202285686.db2.gz ONIHRPGNGWRVNT-ABAIWWIYSA-N 0 3 322.827 3.439 20 30 DGEDHN C[C@H](CNC(=O)CCCC1CC1)N(C)Cc1cccc(C#N)c1 ZINC001700472338 1202286836 /nfs/dbraw/zinc/28/68/36/1202286836.db2.gz ZXDVRRJSVBCRCJ-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CCNCc2cnc(C)o2)C1 ZINC001753547239 1202287812 /nfs/dbraw/zinc/28/78/12/1202287812.db2.gz AMXRTNGLNNZDSC-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN CCC(CC)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001700480254 1202290716 /nfs/dbraw/zinc/29/07/16/1202290716.db2.gz FNVDHOSDDSRRGM-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C1CC(C)(C(=O)NCc2ccc(CNC[C@H](F)CC)cc2)C1 ZINC001753590568 1202295122 /nfs/dbraw/zinc/29/51/22/1202295122.db2.gz KGZTWCQFQSGXIP-QGZVFWFLSA-N 0 3 318.436 3.497 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(F)CCCC2)CCCC1 ZINC001753666019 1202309042 /nfs/dbraw/zinc/30/90/42/1202309042.db2.gz VUJBKLNTRGNEGI-UHFFFAOYSA-N 0 3 302.821 3.040 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(CN(CCOCCCC)C2)CC1 ZINC001753673641 1202310950 /nfs/dbraw/zinc/31/09/50/1202310950.db2.gz QJCKDDOPQJRRGR-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001753693537 1202315719 /nfs/dbraw/zinc/31/57/19/1202315719.db2.gz PEZJWWLYGKEZHG-ZDUSSCGKSA-N 0 3 319.474 3.159 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C2CC2)C2CC2)C(C)(C)C1 ZINC001700574826 1202317758 /nfs/dbraw/zinc/31/77/58/1202317758.db2.gz BXITVJAQRPLCLM-QGZVFWFLSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC(C)(F)F)C[C@@H]2C1 ZINC001700614415 1202322106 /nfs/dbraw/zinc/32/21/06/1202322106.db2.gz FWTPKBDFZAYRBX-XQQFMLRXSA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001700632235 1202325526 /nfs/dbraw/zinc/32/55/26/1202325526.db2.gz QJWYGAJTMHRSKY-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001753776374 1202332151 /nfs/dbraw/zinc/33/21/51/1202332151.db2.gz DKCBVIGMQHLXPL-KRWDZBQOSA-N 0 3 320.864 3.398 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ncoc1C(C)C ZINC001700679731 1202332781 /nfs/dbraw/zinc/33/27/81/1202332781.db2.gz CVVCHBDSFKDVPD-LBPRGKRZSA-N 0 3 313.829 3.039 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1sccc1C)C(C)C ZINC001753822467 1202340874 /nfs/dbraw/zinc/34/08/74/1202340874.db2.gz JMDRRPGQEFKYBC-LBPRGKRZSA-N 0 3 300.855 3.153 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H](C)NCc1cc(F)cc(F)c1 ZINC001700745646 1202347215 /nfs/dbraw/zinc/34/72/15/1202347215.db2.gz MKLDDGRZYHKFRP-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)CCC1 ZINC001700768857 1202351744 /nfs/dbraw/zinc/35/17/44/1202351744.db2.gz WFZDGUWVXGFAKS-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2ccc(Cl)s2)C[C@@H]1C ZINC001700837000 1202357595 /nfs/dbraw/zinc/35/75/95/1202357595.db2.gz CLSKLXVTBCFQON-STQMWFEESA-N 0 3 324.877 3.140 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001700840260 1202357944 /nfs/dbraw/zinc/35/79/44/1202357944.db2.gz HIIHGDJSFORAPA-NVXWUHKLSA-N 0 3 322.408 3.163 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001700857506 1202359892 /nfs/dbraw/zinc/35/98/92/1202359892.db2.gz DNUUPRCEJDUSCH-TZMCWYRMSA-N 0 3 304.356 3.018 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2nccs2)C1 ZINC001700902205 1202367939 /nfs/dbraw/zinc/36/79/39/1202367939.db2.gz RRLWNUWRMPBHPS-KBPBESRZSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCc2ccccc2C1)C(C)C ZINC001700973434 1202373223 /nfs/dbraw/zinc/37/32/23/1202373223.db2.gz NATJBDXJFFYJPO-IBGZPJMESA-N 0 3 314.473 3.146 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C)c(F)c1F)C(C)C ZINC001700974132 1202374049 /nfs/dbraw/zinc/37/40/49/1202374049.db2.gz WXNVLBIVCGSTTQ-UHFFFAOYSA-N 0 3 322.399 3.079 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(Cl)c1C)C(C)C ZINC001700977638 1202374975 /nfs/dbraw/zinc/37/49/75/1202374975.db2.gz XGRVPDBUGOSURO-UHFFFAOYSA-N 0 3 320.864 3.454 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(C)=C2CCCC2)CC1 ZINC001701005741 1202379923 /nfs/dbraw/zinc/37/99/23/1202379923.db2.gz LPDQTQCJEVRUMZ-MRXNPFEDSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCN1CC1CC(F)(F)C1 ZINC001707052702 1202569651 /nfs/dbraw/zinc/56/96/51/1202569651.db2.gz XCJQSOZZUVZIDG-HIFRSBDPSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)CC)C1 ZINC001707093837 1202573119 /nfs/dbraw/zinc/57/31/19/1202573119.db2.gz FHSZFVQKINJUQB-BPQIPLTHSA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCCC(C)C)C2)CC1 ZINC001707126536 1202574017 /nfs/dbraw/zinc/57/40/17/1202574017.db2.gz YBBQXVGPLAQUJP-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(C)o1 ZINC001707429581 1202584371 /nfs/dbraw/zinc/58/43/71/1202584371.db2.gz BKQCQOXEYIYIJW-ZBFHGGJFSA-N 0 3 324.852 3.242 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(C)o1 ZINC001707429579 1202584403 /nfs/dbraw/zinc/58/44/03/1202584403.db2.gz BKQCQOXEYIYIJW-GOEBONIOSA-N 0 3 324.852 3.242 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cnoc1C ZINC001707447763 1202585703 /nfs/dbraw/zinc/58/57/03/1202585703.db2.gz YIIQWRXUIGVTFJ-YOEHRIQHSA-N 0 3 319.449 3.199 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001712975851 1202607815 /nfs/dbraw/zinc/60/78/15/1202607815.db2.gz OWMBWYDFCDCJDQ-LJQANCHMSA-N 0 3 314.473 3.025 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=C)Cl ZINC001712997491 1202609076 /nfs/dbraw/zinc/60/90/76/1202609076.db2.gz YQRGFNXZWRDZTQ-HZPDHXFCSA-N 0 3 310.869 3.292 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001713085657 1202615511 /nfs/dbraw/zinc/61/55/11/1202615511.db2.gz YMOLSZVHYWSYFB-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCOC(C)C)C2)CCCC1 ZINC001713090276 1202616382 /nfs/dbraw/zinc/61/63/82/1202616382.db2.gz HANBWVSXZFQXSP-QGZVFWFLSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC001713096888 1202616661 /nfs/dbraw/zinc/61/66/61/1202616661.db2.gz ILEGCBYBGCEWSJ-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC001713096887 1202616701 /nfs/dbraw/zinc/61/67/01/1202616701.db2.gz ILEGCBYBGCEWSJ-OALUTQOASA-N 0 3 324.468 3.030 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)C1CCN(CC=C(C)C)CC1 ZINC001713099445 1202616819 /nfs/dbraw/zinc/61/68/19/1202616819.db2.gz QBINNEADHGDPNG-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001713141813 1202621399 /nfs/dbraw/zinc/62/13/99/1202621399.db2.gz LLICKEJFYDQIPH-AHCXZYCDSA-N 0 3 304.478 3.453 20 30 DGEDHN CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC#Cc1ccccc1 ZINC001713145171 1202621844 /nfs/dbraw/zinc/62/18/44/1202621844.db2.gz PYFJTCCMASHWOY-BGYRXZFFSA-N 0 3 324.468 3.294 20 30 DGEDHN C[C@@H]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166816 1202623454 /nfs/dbraw/zinc/62/34/54/1202623454.db2.gz HUWKRGJZBXHNOX-VBSBHUPXSA-N 0 3 324.468 3.101 20 30 DGEDHN CC1(C)CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001713198880 1202625884 /nfs/dbraw/zinc/62/58/84/1202625884.db2.gz LQHOOQCMLUFCSY-CEXWTWQISA-N 0 3 324.468 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1C[C@H]1CCCCO1 ZINC001713251921 1202631430 /nfs/dbraw/zinc/63/14/30/1202631430.db2.gz NVVUGJHHKGUKNV-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001713254724 1202631851 /nfs/dbraw/zinc/63/18/51/1202631851.db2.gz XESINZZPALUXME-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC001713398102 1202645621 /nfs/dbraw/zinc/64/56/21/1202645621.db2.gz UQMBNASBSXWEQG-CYBMUJFWSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001713419107 1202647719 /nfs/dbraw/zinc/64/77/19/1202647719.db2.gz STLQMZIRNWLQSS-ILXRZTDVSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)/C=C(/C)C1CC1 ZINC001713426819 1202648515 /nfs/dbraw/zinc/64/85/15/1202648515.db2.gz RQYULSCGXOAWAN-KVNDZABWSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001713472931 1202655455 /nfs/dbraw/zinc/65/54/55/1202655455.db2.gz FNYDSPPXOTWNBN-UHFFFAOYSA-N 0 3 302.462 3.151 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001713510957 1202662721 /nfs/dbraw/zinc/66/27/21/1202662721.db2.gz KMLFDUWVVPTFRW-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN1Cc1ccc(OC)cc1 ZINC001713513362 1202663064 /nfs/dbraw/zinc/66/30/64/1202663064.db2.gz CXKBKVBGPKDRHG-KRWDZBQOSA-N 0 3 316.445 3.132 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001713520014 1202664223 /nfs/dbraw/zinc/66/42/23/1202664223.db2.gz LXQGIAGHYYCJEL-LJQANCHMSA-N 0 3 324.468 3.021 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CCOCC)CCCCC1 ZINC001713519703 1202664311 /nfs/dbraw/zinc/66/43/11/1202664311.db2.gz GJLYTURKSHIJKV-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1c(C)cccc1Cl ZINC001713550577 1202668846 /nfs/dbraw/zinc/66/88/46/1202668846.db2.gz HJHCTMFZQFSFJO-UHFFFAOYSA-N 0 3 306.837 3.114 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCNCc2cc3ccccc3o2)C1 ZINC001713632282 1202674160 /nfs/dbraw/zinc/67/41/60/1202674160.db2.gz AQRNNNXFQDXACA-UHFFFAOYSA-N 0 3 312.413 3.337 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1=CCCCCC1)c1ccccc1 ZINC001713698643 1202678404 /nfs/dbraw/zinc/67/84/04/1202678404.db2.gz JNLIWYSWALQZEC-IBGZPJMESA-N 0 3 310.441 3.347 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC1CC(C)(C)C1)c1ccccc1 ZINC001713700385 1202678631 /nfs/dbraw/zinc/67/86/31/1202678631.db2.gz DRCCKBBCBDDZGG-QGZVFWFLSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC001713703012 1202679044 /nfs/dbraw/zinc/67/90/44/1202679044.db2.gz UJRKAWNARMNKJT-PKOBYXMFSA-N 0 3 310.441 3.203 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC2CC(C)(C)C2)C1 ZINC001713718347 1202680862 /nfs/dbraw/zinc/68/08/62/1202680862.db2.gz FEAYHZPLRRXTIT-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccccc1CCC)C1CC1 ZINC001713768259 1202688740 /nfs/dbraw/zinc/68/87/40/1202688740.db2.gz ACBIYPLGCVZABM-UHFFFAOYSA-N 0 3 312.457 3.247 20 30 DGEDHN CC#CCN(CCCNC(=O)C1CCCCCCC1)C1CC1 ZINC001713768330 1202688759 /nfs/dbraw/zinc/68/87/59/1202688759.db2.gz CGLNZSCVWUZTTJ-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001713786564 1202690569 /nfs/dbraw/zinc/69/05/69/1202690569.db2.gz NCUCQEBJFCTWIU-OAHLLOKOSA-N 0 3 317.433 3.021 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001713867161 1202697202 /nfs/dbraw/zinc/69/72/02/1202697202.db2.gz CGCLKBQTZZJTDK-GFCCVEGCSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001713916299 1202702111 /nfs/dbraw/zinc/70/21/11/1202702111.db2.gz LKIIBZFVUWEJGE-MRXNPFEDSA-N 0 3 300.446 3.460 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN([C@@H](C)c3cccc(C)c3)C2)C1 ZINC001713918277 1202702245 /nfs/dbraw/zinc/70/22/45/1202702245.db2.gz ZIEVAPYMLYKOBE-INIZCTEOSA-N 0 3 312.457 3.460 20 30 DGEDHN C=C[C@@H](C(=O)NCC1CN(CC/C=C/CC)C1)c1ccccc1 ZINC001713925864 1202702788 /nfs/dbraw/zinc/70/27/88/1202702788.db2.gz PBYCTXMCJXOXAX-ZMBJWTFHSA-N 0 3 312.457 3.361 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC(C)(C)c2ccccc2)C1 ZINC001714024166 1202733895 /nfs/dbraw/zinc/73/38/95/1202733895.db2.gz CZYJWCYWGXVDJV-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001714023932 1202734711 /nfs/dbraw/zinc/73/47/11/1202734711.db2.gz ARDFXHVHTAPMFO-RTBURBONSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001714044711 1202748420 /nfs/dbraw/zinc/74/84/20/1202748420.db2.gz BJIJUVPMILILPC-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H](C)C1CCC1)NCc1ccc(C#N)s1 ZINC001714082115 1202765245 /nfs/dbraw/zinc/76/52/45/1202765245.db2.gz HTJWYFCYDKCVLC-GXTWGEPZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1cnc(C)s1 ZINC001714103475 1202777742 /nfs/dbraw/zinc/77/77/42/1202777742.db2.gz FOAWWDKLOOIMHN-CJNGLKHVSA-N 0 3 309.479 3.038 20 30 DGEDHN CC[C@@H](CNC(=O)c1ccc(C)cc1)NCC#Cc1ccccc1 ZINC001714120803 1202789329 /nfs/dbraw/zinc/78/93/29/1202789329.db2.gz ZTBFTIZPBKNQIO-FQEVSTJZSA-N 0 3 320.436 3.145 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(CC)CC)NCc1ccc(C#N)s1 ZINC001714121880 1202790333 /nfs/dbraw/zinc/79/03/33/1202790333.db2.gz DHHNFIKEHYVEBX-CYBMUJFWSA-N 0 3 321.490 3.430 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2c(C)noc2CC)CCCC1 ZINC001714130800 1202793931 /nfs/dbraw/zinc/79/39/31/1202793931.db2.gz NNYPXQAIYXQPNT-UHFFFAOYSA-N 0 3 319.449 3.030 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccsc2)C1 ZINC001714150543 1202805221 /nfs/dbraw/zinc/80/52/21/1202805221.db2.gz MIULOAOOONDQEN-RDJZCZTQSA-N 0 3 318.486 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC001714203499 1202830157 /nfs/dbraw/zinc/83/01/57/1202830157.db2.gz TXLKAIQEFPUKCK-HZPDHXFCSA-N 0 3 323.868 3.020 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc(C)cs2)cc1 ZINC001714319433 1202880291 /nfs/dbraw/zinc/88/02/91/1202880291.db2.gz FHPJGOZZYWJUHL-UHFFFAOYSA-N 0 3 312.438 3.099 20 30 DGEDHN CC(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001714471189 1202952576 /nfs/dbraw/zinc/95/25/76/1202952576.db2.gz IOEVHPRGFDTUSO-OAHLLOKOSA-N 0 3 315.461 3.225 20 30 DGEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)C1CCCC1 ZINC001714483904 1202955719 /nfs/dbraw/zinc/95/57/19/1202955719.db2.gz XKYYBCXBRDWKKJ-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cc[nH]c1C ZINC001714512822 1202974545 /nfs/dbraw/zinc/97/45/45/1202974545.db2.gz PQQOBPJOVQCURR-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001714616628 1203050865 /nfs/dbraw/zinc/05/08/65/1203050865.db2.gz DPBARLIHQLTGLN-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001714630032 1203062921 /nfs/dbraw/zinc/06/29/21/1203062921.db2.gz APISJUSMEVBMTA-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001714642189 1203069213 /nfs/dbraw/zinc/06/92/13/1203069213.db2.gz DISZUXDJNZGNMA-AWEZNQCLSA-N 0 3 306.475 3.289 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(F)c2occc21 ZINC001714660473 1203084298 /nfs/dbraw/zinc/08/42/98/1203084298.db2.gz UGXSXIOXUNCXQA-UHFFFAOYSA-N 0 3 316.376 3.037 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](CC)SC)c1ccccc1 ZINC001714837415 1203146000 /nfs/dbraw/zinc/14/60/00/1203146000.db2.gz RZEYOFXCXJXPQL-JKSUJKDBSA-N 0 3 306.475 3.151 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC001714841871 1203148752 /nfs/dbraw/zinc/14/87/52/1203148752.db2.gz AVDABAZJMWBFRN-QGZVFWFLSA-N 0 3 316.351 3.212 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1cccc(CC)c1)c1ccccc1 ZINC001714849708 1203150863 /nfs/dbraw/zinc/15/08/63/1203150863.db2.gz YLSJDPFPDZPJKZ-FQEVSTJZSA-N 0 3 322.452 3.425 20 30 DGEDHN C=C(C)CN1CCC[C@H](N(Cc2ccccc2)C(=O)CC)C1 ZINC001714903487 1203188634 /nfs/dbraw/zinc/18/86/34/1203188634.db2.gz AJXQBULBJAPTQF-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN Cc1cc(C)c(CN2CCC[C@@H](NC(=O)C#CC3CC3)C2)c(C)c1 ZINC001714920239 1203200086 /nfs/dbraw/zinc/20/00/86/1203200086.db2.gz MTLYTVYEEZDTMA-LJQANCHMSA-N 0 3 324.468 3.106 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccccc1 ZINC001714989393 1203227149 /nfs/dbraw/zinc/22/71/49/1203227149.db2.gz DFOIFAOSSIEDKJ-OALUTQOASA-N 0 3 312.457 3.261 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC001715002749 1203232229 /nfs/dbraw/zinc/23/22/29/1203232229.db2.gz VHIFQRLLLGAJGC-LBPRGKRZSA-N 0 3 312.866 3.101 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCc2cccs2)C1 ZINC001715031450 1203244885 /nfs/dbraw/zinc/24/48/85/1203244885.db2.gz MRWGIZCZPUSAKB-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1ccnc(Cl)c1 ZINC001715072137 1203263026 /nfs/dbraw/zinc/26/30/26/1203263026.db2.gz SHEJSUDFKYNFAY-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2CCC=CCC2)cc1 ZINC001715200354 1203294812 /nfs/dbraw/zinc/29/48/12/1203294812.db2.gz SMOHQGWOEDMDBV-UHFFFAOYSA-N 0 3 310.441 3.162 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001715199976 1203294835 /nfs/dbraw/zinc/29/48/35/1203294835.db2.gz XVGKQIWUWWPJJJ-ONNFQVAWSA-N 0 3 310.869 3.007 20 30 DGEDHN CC[C@H](C)C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001715295262 1203308870 /nfs/dbraw/zinc/30/88/70/1203308870.db2.gz KNELBCVLTOKNPS-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2conc2CC)CCCC1 ZINC001715300595 1203309841 /nfs/dbraw/zinc/30/98/41/1203309841.db2.gz YUVHTHZXIBRHOC-UHFFFAOYSA-N 0 3 319.449 3.112 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CCC1(C)CC1 ZINC001715368395 1203326659 /nfs/dbraw/zinc/32/66/59/1203326659.db2.gz UZXYQSCAXHOZOP-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CCNCc1cnoc1C ZINC001715435358 1203340947 /nfs/dbraw/zinc/34/09/47/1203340947.db2.gz PQOOXTGFTACDME-QGZVFWFLSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)C1CCC1)C(C)C ZINC001715498898 1203353401 /nfs/dbraw/zinc/35/34/01/1203353401.db2.gz QMJXXOZCUGCOBO-AWEZNQCLSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCC#Cc2ccccc2)C(C)C)C1 ZINC001715503965 1203354475 /nfs/dbraw/zinc/35/44/75/1203354475.db2.gz SQUZAGCVPPLCON-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](NCc2ccns2)C(C)C)CC1 ZINC001715503202 1203354500 /nfs/dbraw/zinc/35/45/00/1203354500.db2.gz RLXPAJWACIVQOD-INIZCTEOSA-N 0 3 321.490 3.120 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001715517156 1203358901 /nfs/dbraw/zinc/35/89/01/1203358901.db2.gz BWGVLIFKEBCJDU-OAHLLOKOSA-N 0 3 320.864 3.451 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C ZINC001715588905 1203373369 /nfs/dbraw/zinc/37/33/69/1203373369.db2.gz QVYUKJUNRPUZNG-GFCCVEGCSA-N 0 3 307.265 3.392 20 30 DGEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)C1CCCCC1 ZINC001715618467 1203374186 /nfs/dbraw/zinc/37/41/86/1203374186.db2.gz IUFNPAMAPLNPHG-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)ccc1F)C(C)C ZINC001715664572 1203378702 /nfs/dbraw/zinc/37/87/02/1203378702.db2.gz WSZHMTNDUMKKMK-HNNXBMFYSA-N 0 3 312.816 3.231 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1oc(C(C)C)nc1C ZINC001715674928 1203379886 /nfs/dbraw/zinc/37/98/86/1203379886.db2.gz ZSFYAWQKVATTQU-ZDUSSCGKSA-N 0 3 321.465 3.303 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)C(C)C ZINC001715702930 1203382211 /nfs/dbraw/zinc/38/22/11/1203382211.db2.gz XADNQSOOCIAHPI-GDBMZVCRSA-N 0 3 323.868 3.058 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)CC(C)(C)C1CCCCC1 ZINC001715895048 1203401746 /nfs/dbraw/zinc/40/17/46/1203401746.db2.gz LFBFITBPLSQFNK-MDZDMXLPSA-N 0 3 304.478 3.268 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccccc1CC ZINC001715917799 1203403428 /nfs/dbraw/zinc/40/34/28/1203403428.db2.gz CMAITMCKYWUIGE-UHFFFAOYSA-N 0 3 302.462 3.351 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN[C@@H](CC)c1ccc(F)cc1F ZINC001715974223 1203414212 /nfs/dbraw/zinc/41/42/12/1203414212.db2.gz VZHRGHJNSWHNKG-GUYCJALGSA-N 0 3 322.399 3.314 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC001716067834 1203438502 /nfs/dbraw/zinc/43/85/02/1203438502.db2.gz RVORNRCLHMUXHO-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(C(C)C)n1 ZINC001716153417 1203443709 /nfs/dbraw/zinc/44/37/09/1203443709.db2.gz KCDQAOXCAZVPQD-ZDUSSCGKSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccccc1CCC ZINC001716157617 1203444005 /nfs/dbraw/zinc/44/40/05/1203444005.db2.gz XUFWLXSCPFXKNO-CQSZACIVSA-N 0 3 308.853 3.490 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001716459747 1203478171 /nfs/dbraw/zinc/47/81/71/1203478171.db2.gz VOLWMUGZYYCYHS-HKUYNNGSSA-N 0 3 314.473 3.205 20 30 DGEDHN C[C@H](c1ccc(F)cc1)N(C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001716477990 1203484406 /nfs/dbraw/zinc/48/44/06/1203484406.db2.gz NBVLXRZLWSAXCM-LSDHHAIUSA-N 0 3 318.436 3.373 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001716498231 1203492270 /nfs/dbraw/zinc/49/22/70/1203492270.db2.gz PFNVLVIKTYRKQE-AEFFLSMTSA-N 0 3 302.462 3.439 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001716620225 1203507459 /nfs/dbraw/zinc/50/74/59/1203507459.db2.gz MBIYPGCBBLPCPW-HNNXBMFYSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001716652289 1203513930 /nfs/dbraw/zinc/51/39/30/1203513930.db2.gz KWHNOJFTBDRKTL-GOSISDBHSA-N 0 3 302.462 3.446 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001716665151 1203518576 /nfs/dbraw/zinc/51/85/76/1203518576.db2.gz HHFZNUKREKKWAX-KRWDZBQOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001716670406 1203521002 /nfs/dbraw/zinc/52/10/02/1203521002.db2.gz FDROIZZNAXXTKR-OIAUPDTQSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001716843850 1203553501 /nfs/dbraw/zinc/55/35/01/1203553501.db2.gz QENNLAQUIIRHGC-KXBFYZLASA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCCc2cc(C)sc2C)C1 ZINC001716853638 1203556244 /nfs/dbraw/zinc/55/62/44/1203556244.db2.gz FSVIQHOYNFRXMD-SFHVURJKSA-N 0 3 320.502 3.454 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(C)c2F)C1 ZINC001716894448 1203564500 /nfs/dbraw/zinc/56/45/00/1203564500.db2.gz QHKYGKOOYMCKNC-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001716912738 1203568214 /nfs/dbraw/zinc/56/82/14/1203568214.db2.gz MGBOJZONECWYLC-HIFRSBDPSA-N 0 3 320.399 3.022 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](CC)CCCC ZINC001717034920 1203579291 /nfs/dbraw/zinc/57/92/91/1203579291.db2.gz DAGMXCUWASRWID-KZNAEPCWSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001717103539 1203584918 /nfs/dbraw/zinc/58/49/18/1203584918.db2.gz FRIKCXOCCMLSEH-GJZGRUSLSA-N 0 3 300.874 3.393 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)C2CCC2)cc1 ZINC001717115724 1203586483 /nfs/dbraw/zinc/58/64/83/1203586483.db2.gz NLWVNWQPXBCDDQ-JKSUJKDBSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccsc2C)cc1 ZINC001717116057 1203586623 /nfs/dbraw/zinc/58/66/23/1203586623.db2.gz PZBPTWKFJHUOIM-CYBMUJFWSA-N 0 3 312.438 3.270 20 30 DGEDHN CC#CCNC1(CNC(=O)C2(c3ccccc3)CCCC2)CCC1 ZINC001717162552 1203594397 /nfs/dbraw/zinc/59/43/97/1203594397.db2.gz ZDOCAZDXHZDNMA-UHFFFAOYSA-N 0 3 324.468 3.150 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC001717196586 1203597795 /nfs/dbraw/zinc/59/77/95/1203597795.db2.gz HDFHOEJWKAZHKB-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)CCC)C2 ZINC001717248027 1203609863 /nfs/dbraw/zinc/60/98/63/1203609863.db2.gz SWNHVBPLXCNCOC-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)CC(C)C)C2 ZINC001717247634 1203609961 /nfs/dbraw/zinc/60/99/61/1203609961.db2.gz MAAAJCLWGNBBMQ-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cccc(Cl)n2)[C@@H](C)C1 ZINC001717285950 1203612822 /nfs/dbraw/zinc/61/28/22/1203612822.db2.gz MEUKUXPNFZGMJS-ZFWWWQNUSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(C)cc1Cl ZINC001717367383 1203626543 /nfs/dbraw/zinc/62/65/43/1203626543.db2.gz JAZZQRFVHAGVHS-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nccc2ccsc21 ZINC001717368030 1203627473 /nfs/dbraw/zinc/62/74/73/1203627473.db2.gz WPUAXGLQZDKRGS-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CC(C)(C)C(F)(F)F ZINC001717375068 1203629968 /nfs/dbraw/zinc/62/99/68/1203629968.db2.gz UCUJRNLXEUQZSN-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1ccccc1C ZINC001717376755 1203631426 /nfs/dbraw/zinc/63/14/26/1203631426.db2.gz XJMDMXULSKOAQR-IEBWSBKVSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001717391629 1203634056 /nfs/dbraw/zinc/63/40/56/1203634056.db2.gz XYMBJWBBGXCSJO-UHFFFAOYSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001717407949 1203638258 /nfs/dbraw/zinc/63/82/58/1203638258.db2.gz DOXYOFOLFFMQPJ-QWHCGFSZSA-N 0 3 310.388 3.304 20 30 DGEDHN C[C@@H](NC(=O)CCCC1CC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001717423061 1203640990 /nfs/dbraw/zinc/64/09/90/1203640990.db2.gz OGXWXRLTXXDFKM-QWHCGFSZSA-N 0 3 319.474 3.183 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001717501635 1203668026 /nfs/dbraw/zinc/66/80/26/1203668026.db2.gz QUYNAKJXLHWVPD-ZIAGYGMSSA-N 0 3 308.853 3.141 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001717647644 1203693971 /nfs/dbraw/zinc/69/39/71/1203693971.db2.gz DFOKIITXIUWPDK-AVGNSLFASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001717648490 1203693996 /nfs/dbraw/zinc/69/39/96/1203693996.db2.gz BGTGMFZESLBOBC-VGWMRTNUSA-N 0 3 324.896 3.440 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](CCC)CC1CCCC1 ZINC001717745636 1203708867 /nfs/dbraw/zinc/70/88/67/1203708867.db2.gz ZMIYRCBRYYFAQA-FUHWJXTLSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001717788785 1203712404 /nfs/dbraw/zinc/71/24/04/1203712404.db2.gz XLKGFXIGEJESNU-NVXWUHKLSA-N 0 3 316.445 3.331 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001717825493 1203716590 /nfs/dbraw/zinc/71/65/90/1203716590.db2.gz GUOASMFOBMCBIF-DOTOQJQBSA-N 0 3 324.424 3.266 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)CCCCCC)CCC[C@@H]12 ZINC001717839188 1203719823 /nfs/dbraw/zinc/71/98/23/1203719823.db2.gz DCQXPUZCEVCMKO-YQVWRLOYSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cccc(Cl)c2)[C@@H]1C ZINC001717855646 1203723129 /nfs/dbraw/zinc/72/31/29/1203723129.db2.gz IWDMGWSMVBJMII-YOEHRIQHSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2cccs2)[C@@H]1C ZINC001717860492 1203723955 /nfs/dbraw/zinc/72/39/55/1203723955.db2.gz MDVINBGFLTVVMW-GOEBONIOSA-N 0 3 306.475 3.226 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCCN(CCCF)[C@@H]2C)CCCCC1 ZINC001717861918 1203724577 /nfs/dbraw/zinc/72/45/77/1203724577.db2.gz BUDMRLPAQOWHIV-IAGOWNOFSA-N 0 3 322.468 3.289 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCCN(CCCF)[C@@H]2C)CCCCC1 ZINC001717861920 1203724588 /nfs/dbraw/zinc/72/45/88/1203724588.db2.gz BUDMRLPAQOWHIV-SJORKVTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cc(C)ns2)C(C)(C)C1 ZINC001717895323 1203729216 /nfs/dbraw/zinc/72/92/16/1203729216.db2.gz JQRITROXHTZWIT-HNNXBMFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC[N@@H+](C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001717946322 1203732210 /nfs/dbraw/zinc/73/22/10/1203732210.db2.gz RWLRAPBIFAVLPB-UHFFFAOYSA-N 0 3 304.434 3.141 20 30 DGEDHN C=CCCC[N@H+](C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001717946322 1203732211 /nfs/dbraw/zinc/73/22/11/1203732211.db2.gz RWLRAPBIFAVLPB-UHFFFAOYSA-N 0 3 304.434 3.141 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1ccc(Cl)s1)C(C)C ZINC001717950979 1203733776 /nfs/dbraw/zinc/73/37/76/1203733776.db2.gz BVKVDZOUMHKLCQ-UHFFFAOYSA-N 0 3 314.882 3.299 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1Cc2ccc(F)cc21)C(C)C ZINC001717950520 1203733871 /nfs/dbraw/zinc/73/38/71/1203733871.db2.gz QKMYISUEGBCGMJ-SFHVURJKSA-N 0 3 318.436 3.210 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1c(C)noc1C)C(C)(C)C ZINC001717965016 1203737093 /nfs/dbraw/zinc/73/70/93/1203737093.db2.gz HYBMXUWLBPMGSH-HNNXBMFYSA-N 0 3 321.465 3.124 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCCC)CC[C@@H]1C(F)(F)F ZINC001717986561 1203740692 /nfs/dbraw/zinc/74/06/92/1203740692.db2.gz JXNWDEXEIUKHHL-QWHCGFSZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCCCC)CC[C@H]1C(F)(F)F ZINC001717986560 1203740823 /nfs/dbraw/zinc/74/08/23/1203740823.db2.gz JXNWDEXEIUKHHL-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001717986329 1203740833 /nfs/dbraw/zinc/74/08/33/1203740833.db2.gz GCKQBZJZOHPYMB-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN CCCC(=O)N[C@H]1CCCC[C@H]1CNCc1ccccc1C#N ZINC001722925294 1203952305 /nfs/dbraw/zinc/95/23/05/1203952305.db2.gz BYWBSUFUQQJPGY-ROUUACIJSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(C)CCCNCc1ccccc1C#N ZINC001723095839 1203957508 /nfs/dbraw/zinc/95/75/08/1203957508.db2.gz IJPTYXILEQCQSC-MHWRWJLKSA-N 0 3 311.429 3.019 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cc(C)ns1)C1CC1 ZINC001723324574 1203963552 /nfs/dbraw/zinc/96/35/52/1203963552.db2.gz NOHJMMQQALNCJQ-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001723470615 1203976382 /nfs/dbraw/zinc/97/63/82/1203976382.db2.gz NXTGSQVLZPHHNW-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001723473154 1203976724 /nfs/dbraw/zinc/97/67/24/1203976724.db2.gz NCEJTJITWCNPMT-MRXNPFEDSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@H]2CCc3c2cccc3F)CC1 ZINC001723520358 1203980215 /nfs/dbraw/zinc/98/02/15/1203980215.db2.gz CTWKGAMAMGPYAP-KRWDZBQOSA-N 0 3 316.420 3.408 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccc(F)cc2)CC1 ZINC001723553095 1203981982 /nfs/dbraw/zinc/98/19/82/1203981982.db2.gz WKDNNHFYGUZBBQ-AWEZNQCLSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CCOCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(=C)C ZINC001723659352 1203987448 /nfs/dbraw/zinc/98/74/48/1203987448.db2.gz AKSGDCDWAJSPGB-HDICACEKSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCOC ZINC001723665988 1203988140 /nfs/dbraw/zinc/98/81/40/1203988140.db2.gz UIPLKIQLHAYCLQ-KURKYZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001723680120 1203988375 /nfs/dbraw/zinc/98/83/75/1203988375.db2.gz RFRUEBWENKOKCD-IEBWSBKVSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@]3(CCN(CC#CC)C3)C2)CCCC1 ZINC001723726312 1203990536 /nfs/dbraw/zinc/99/05/36/1203990536.db2.gz GFIKDZAVNWMQPT-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001724126266 1204006391 /nfs/dbraw/zinc/00/63/91/1204006391.db2.gz QNJULQKZSADKRQ-DBEXCURXSA-N 0 3 322.880 3.247 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc3ccccc3c2)C1 ZINC001724139709 1204008026 /nfs/dbraw/zinc/00/80/26/1204008026.db2.gz DMWIAHSGNOBAMY-MGPUTAFESA-N 0 3 321.424 3.080 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001724191114 1204013461 /nfs/dbraw/zinc/01/34/61/1204013461.db2.gz SLYXUFRYIVGQHJ-SCLBCKFNSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(C)noc2C(C)C)C1 ZINC001724325202 1204022212 /nfs/dbraw/zinc/02/22/12/1204022212.db2.gz WPTOMBMJHUZWSF-GOSISDBHSA-N 0 3 319.449 3.124 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001724343869 1204024244 /nfs/dbraw/zinc/02/42/44/1204024244.db2.gz VOSOZBDXMHGYME-SFHVURJKSA-N 0 3 318.486 3.220 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001724609462 1204032662 /nfs/dbraw/zinc/03/26/62/1204032662.db2.gz YAWDEKWSCJWFKG-KZHSWYDLSA-N 0 3 319.276 3.202 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)cc1 ZINC001724646872 1204035886 /nfs/dbraw/zinc/03/58/86/1204035886.db2.gz KIOGBDBHAQOJTI-RTBURBONSA-N 0 3 323.440 3.090 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cccc(CC)n1 ZINC001724737094 1204041523 /nfs/dbraw/zinc/04/15/23/1204041523.db2.gz MRTFZPVJWIXDAN-UHFFFAOYSA-N 0 3 323.440 3.192 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC001724744928 1204042805 /nfs/dbraw/zinc/04/28/05/1204042805.db2.gz QHNWVWDACUOGQN-XCLNPWKQSA-N 0 3 324.468 3.413 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001724860268 1204060156 /nfs/dbraw/zinc/06/01/56/1204060156.db2.gz HHLJTRQNEQAQON-ZWKOTPCHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001724900948 1204065246 /nfs/dbraw/zinc/06/52/46/1204065246.db2.gz ZYYGVHZNBUDSRH-APWZRJJASA-N 0 3 314.473 3.398 20 30 DGEDHN C[C@H]1CN(C(=O)CC2CCCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001724936783 1204067872 /nfs/dbraw/zinc/06/78/72/1204067872.db2.gz YOTCTHCEFMTLSY-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)[C@@H](C)C1 ZINC001724941310 1204068083 /nfs/dbraw/zinc/06/80/83/1204068083.db2.gz GUZWLBPZDFQVHI-ZFWWWQNUSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1cccc(C2CC2)c1 ZINC001725041475 1204083935 /nfs/dbraw/zinc/08/39/35/1204083935.db2.gz MCCRVNYZOAZBJH-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C)c(F)c(C)c1 ZINC001725056947 1204086943 /nfs/dbraw/zinc/08/69/43/1204086943.db2.gz GIJVXFJXEUAMQI-MRXNPFEDSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001725073871 1204089674 /nfs/dbraw/zinc/08/96/74/1204089674.db2.gz XDVOSOVISUQNDR-BZOOQXSSSA-N 0 3 320.864 3.417 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CC(C)(C)C ZINC001725082149 1204090774 /nfs/dbraw/zinc/09/07/74/1204090774.db2.gz QZWCVHXQMRNHHK-NEPJUHHUSA-N 0 3 307.463 3.039 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ncccc2C)CCC1 ZINC001725106579 1204095960 /nfs/dbraw/zinc/09/59/60/1204095960.db2.gz JIBXNAXQPOYMNO-HOTGVXAUSA-N 0 3 315.461 3.119 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC001725109252 1204096100 /nfs/dbraw/zinc/09/61/00/1204096100.db2.gz QAWGXDJTERWGGK-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001725115452 1204097408 /nfs/dbraw/zinc/09/74/08/1204097408.db2.gz FMEXCVDXHAENMC-CHWSQXEVSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001725166573 1204108689 /nfs/dbraw/zinc/10/86/89/1204108689.db2.gz YUDBAGMBBBGEPJ-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001725186983 1204115074 /nfs/dbraw/zinc/11/50/74/1204115074.db2.gz JUOFFBKBSDVNBN-UONOGXRCSA-N 0 3 300.402 3.159 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)CCC1 ZINC001725256286 1204128930 /nfs/dbraw/zinc/12/89/30/1204128930.db2.gz DQXBIXXRPDIDNA-INIZCTEOSA-N 0 3 312.457 3.370 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CCCCCC(C)C)C(C)(C)C1 ZINC001725292431 1204134597 /nfs/dbraw/zinc/13/45/97/1204134597.db2.gz XVXCCIPEICGWBL-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCC3CC3)C[C@H]2C1 ZINC001725328941 1204137033 /nfs/dbraw/zinc/13/70/33/1204137033.db2.gz DEDWCGPNMHEKHD-JYJNAYRXSA-N 0 3 310.869 3.146 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001725503381 1204160417 /nfs/dbraw/zinc/16/04/17/1204160417.db2.gz QHKYLXLIBNSBHG-LBPRGKRZSA-N 0 3 318.417 3.114 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001725585297 1204171980 /nfs/dbraw/zinc/17/19/80/1204171980.db2.gz GJRWCRPZNDLNDI-XJKSGUPXSA-N 0 3 320.383 3.014 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001725585289 1204172052 /nfs/dbraw/zinc/17/20/52/1204172052.db2.gz GJRWCRPZNDLNDI-BBRMVZONSA-N 0 3 320.383 3.014 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001725595505 1204175112 /nfs/dbraw/zinc/17/51/12/1204175112.db2.gz PFKGSVVQGDAFFD-NVXWUHKLSA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001725622332 1204183301 /nfs/dbraw/zinc/18/33/01/1204183301.db2.gz HCZXZUVGGKECAJ-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCc2ccccc2F)[C@H]1C ZINC001725626886 1204184956 /nfs/dbraw/zinc/18/49/56/1204184956.db2.gz ASUOOLCRLXNWQY-MAUKXSAKSA-N 0 3 318.436 3.304 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC2(C)CCCC2)CC1 ZINC001725760587 1204214186 /nfs/dbraw/zinc/21/41/86/1204214186.db2.gz ABRLUORATRBIJK-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H](C)c2cccc(F)c2)CC1 ZINC001725825115 1204228035 /nfs/dbraw/zinc/22/80/35/1204228035.db2.gz ALCRRANWQTXSOQ-OAHLLOKOSA-N 0 3 316.420 3.254 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001731298168 1204366560 /nfs/dbraw/zinc/36/65/60/1204366560.db2.gz WDWQEGCGQFGZJH-WBVHZDCISA-N 0 3 320.864 3.341 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1occc1C ZINC001731299955 1204367067 /nfs/dbraw/zinc/36/70/67/1204367067.db2.gz MAMIVBFWTAJPKV-UHFFFAOYSA-N 0 3 324.424 3.082 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001731382117 1204388950 /nfs/dbraw/zinc/38/89/50/1204388950.db2.gz XTQSNFPCONFHPV-MRDWYFFCSA-N 0 3 322.880 3.293 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccsc1 ZINC001731425015 1204408794 /nfs/dbraw/zinc/40/87/94/1204408794.db2.gz JDROCGUOHYNNMA-OIISXLGYSA-N 0 3 318.486 3.493 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(F)c1 ZINC001731427040 1204409583 /nfs/dbraw/zinc/40/95/83/1204409583.db2.gz KWZYZKSTDYRDNN-CALCHBBNSA-N 0 3 316.420 3.389 20 30 DGEDHN C[C@@H](N[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)C1)c1ccccc1F ZINC001731445196 1204414567 /nfs/dbraw/zinc/41/45/67/1204414567.db2.gz YJLZTPNJRYOQJM-RBSFLKMASA-N 0 3 316.420 3.173 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2Cl)C1 ZINC001731471236 1204424120 /nfs/dbraw/zinc/42/41/20/1204424120.db2.gz VPKLUBYEVRIWFT-IYBDPMFKSA-N 0 3 318.848 3.119 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(C)cc1Cl ZINC001731536673 1204448671 /nfs/dbraw/zinc/44/86/71/1204448671.db2.gz FKFYREDYRKPNAT-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001731537229 1204449700 /nfs/dbraw/zinc/44/97/00/1204449700.db2.gz IRNIHMGSWLBUKL-OAHLLOKOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1C[C@H]1CC(C)(C)CO1 ZINC001731538121 1204449742 /nfs/dbraw/zinc/44/97/42/1204449742.db2.gz WUCPLVJMPLEGOI-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001731540657 1204451341 /nfs/dbraw/zinc/45/13/41/1204451341.db2.gz BAODEQKJYVJADH-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001731545293 1204454870 /nfs/dbraw/zinc/45/48/70/1204454870.db2.gz YNSUEZRDVSXEPN-CVEARBPZSA-N 0 3 316.445 3.331 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCCCC(C)C)C1 ZINC001731560342 1204462273 /nfs/dbraw/zinc/46/22/73/1204462273.db2.gz VRQBNHVGVDHRLS-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001731626337 1204488178 /nfs/dbraw/zinc/48/81/78/1204488178.db2.gz HXOVEFSZBUQSCH-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001731690167 1204506523 /nfs/dbraw/zinc/50/65/23/1204506523.db2.gz NVSWLJSKKCWZBD-QZTJIDSGSA-N 0 3 311.429 3.041 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001731718656 1204520327 /nfs/dbraw/zinc/52/03/27/1204520327.db2.gz WMOWQSKTWTVFMF-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN CN(C/C=C/c1ccccc1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001731717647 1204520547 /nfs/dbraw/zinc/52/05/47/1204520547.db2.gz WWWDPSJZYXMPON-MVHVFESUSA-N 0 3 322.452 3.036 20 30 DGEDHN CC(C)=C(C)CC(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001731733253 1204528721 /nfs/dbraw/zinc/52/87/21/1204528721.db2.gz NDHUSPBHCUCOCO-MRXNPFEDSA-N 0 3 313.445 3.289 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccccc1CC ZINC001731772359 1204547955 /nfs/dbraw/zinc/54/79/55/1204547955.db2.gz PSJXVQIGHWKLNH-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CCC)Cc1cccc(C#N)c1 ZINC001731866039 1204609894 /nfs/dbraw/zinc/60/98/94/1204609894.db2.gz LCWYUDBKQPNEGJ-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1c1ccsc1)C1CC1 ZINC001731877757 1204618543 /nfs/dbraw/zinc/61/85/43/1204618543.db2.gz LEJDBNLPKWVZKU-JKSUJKDBSA-N 0 3 304.459 3.008 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)OC1CCCCCC1)C1CC1 ZINC001731881110 1204622005 /nfs/dbraw/zinc/62/20/05/1204622005.db2.gz MROPQWHBQIASKH-MRXNPFEDSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2c(cccc2F)s1)C1CC1 ZINC001731885783 1204625405 /nfs/dbraw/zinc/62/54/05/1204625405.db2.gz ZDYHGMJZKPGBJU-UHFFFAOYSA-N 0 3 318.417 3.421 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN[C@H]1CCc2c1cc(F)cc2F ZINC001731935366 1204632043 /nfs/dbraw/zinc/63/20/43/1204632043.db2.gz YOHNXCOCVARVEM-KRWDZBQOSA-N 0 3 322.399 3.356 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC001732026141 1204654492 /nfs/dbraw/zinc/65/44/92/1204654492.db2.gz RYHZOPUWXLHXPV-APWZRJJASA-N 0 3 308.425 3.423 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC(C)C ZINC001732033000 1204655856 /nfs/dbraw/zinc/65/58/56/1204655856.db2.gz XZWFHMKLVSWGIC-OKZBNKHCSA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001732084885 1204687597 /nfs/dbraw/zinc/68/75/97/1204687597.db2.gz YSLYHCRBMGZQOC-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001732131003 1204706027 /nfs/dbraw/zinc/70/60/27/1204706027.db2.gz HAZIYLSRSMDPOP-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C1CCCC1 ZINC001732142751 1204711839 /nfs/dbraw/zinc/71/18/39/1204711839.db2.gz XIROXZDDCRSTHK-KBMXLJTQSA-N 0 3 306.425 3.424 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccco1 ZINC001732149557 1204714498 /nfs/dbraw/zinc/71/44/98/1204714498.db2.gz MVSSXVXXXYIACV-HOTGVXAUSA-N 0 3 304.434 3.078 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1c(C)nsc1C ZINC001732200437 1204746448 /nfs/dbraw/zinc/74/64/48/1204746448.db2.gz OCPRBMKICIXRBC-AWEZNQCLSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001732210480 1204751699 /nfs/dbraw/zinc/75/16/99/1204751699.db2.gz GZWPSAUPYJHVLF-GUYCJALGSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCCC1 ZINC001732228154 1204761518 /nfs/dbraw/zinc/76/15/18/1204761518.db2.gz VDHLNMIFERHGSN-FICVDOATSA-N 0 3 310.869 3.194 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC001732316740 1204788957 /nfs/dbraw/zinc/78/89/57/1204788957.db2.gz DCDSVXNIKAVTGD-VQTJNVASSA-N 0 3 324.468 3.242 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(F)cn2)CCCC1 ZINC001732396065 1204819241 /nfs/dbraw/zinc/81/92/41/1204819241.db2.gz XLTNEBVLGCLYJM-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C=CC[C@@H](C(=O)NCC1(NCCF)CCCC1)c1ccccc1 ZINC001732399490 1204821262 /nfs/dbraw/zinc/82/12/62/1204821262.db2.gz BBRXUJXMQOHFDZ-QGZVFWFLSA-N 0 3 318.436 3.334 20 30 DGEDHN CN(C/C=C/Cl)CCC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001732546180 1204887303 /nfs/dbraw/zinc/88/73/03/1204887303.db2.gz CMWZZPVTWUVRMK-VZUCSPMQSA-N 0 3 324.896 3.349 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1cc(C)ns1)C(C)C ZINC001732560079 1204896438 /nfs/dbraw/zinc/89/64/38/1204896438.db2.gz UULLYXKDYKWKBK-OAHLLOKOSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCC2(CC2)C1)C(C)C ZINC001732563337 1204898040 /nfs/dbraw/zinc/89/80/40/1204898040.db2.gz RGDJDQCIOHFRDG-LSDHHAIUSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](NCc2ccccn2)C(C)C)CCC1 ZINC001732568655 1204900334 /nfs/dbraw/zinc/90/03/34/1204900334.db2.gz ZLCZXFDBSNXQRM-QGZVFWFLSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)cc(F)c1)C(C)C ZINC001732570132 1204900790 /nfs/dbraw/zinc/90/07/90/1204900790.db2.gz RONXWMLDANSKNE-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)Cc1ccc(C2CC2)cc1 ZINC001732580487 1204907184 /nfs/dbraw/zinc/90/71/84/1204907184.db2.gz GPSKMPDULKXUDQ-UHFFFAOYSA-N 0 3 312.457 3.114 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](c1ccccc1)C(C)C ZINC001732595592 1204916339 /nfs/dbraw/zinc/91/63/39/1204916339.db2.gz UIIZDQWDADLGFZ-SFHVURJKSA-N 0 3 302.462 3.393 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001732596720 1204917386 /nfs/dbraw/zinc/91/73/86/1204917386.db2.gz RLVKPFFJCVWWIP-UHFFFAOYSA-N 0 3 304.478 3.169 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2ccccc2)CCCC1 ZINC001732598485 1204917815 /nfs/dbraw/zinc/91/78/15/1204917815.db2.gz OOBRWDMEAFMZLM-UHFFFAOYSA-N 0 3 314.473 3.465 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001732733192 1204935157 /nfs/dbraw/zinc/93/51/57/1204935157.db2.gz JVQASORVTDDDPN-HNNXBMFYSA-N 0 3 313.445 3.145 20 30 DGEDHN C=CCCC(=O)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001732830496 1204949727 /nfs/dbraw/zinc/94/97/27/1204949727.db2.gz MDZCCJWYGIQNGN-VGOKWCNXSA-N 0 3 302.393 3.041 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1ccnc(Cl)c1 ZINC001732855184 1204951628 /nfs/dbraw/zinc/95/16/28/1204951628.db2.gz HJUPJLXGGUYIBI-AATRIKPKSA-N 0 3 321.852 3.099 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001732855487 1204951910 /nfs/dbraw/zinc/95/19/10/1204951910.db2.gz JXEXTJKNTYIVON-SREVYHEPSA-N 0 3 318.436 3.498 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CN[C@@H](C)c1ccc(F)cc1 ZINC001732887082 1204954355 /nfs/dbraw/zinc/95/43/55/1204954355.db2.gz HPJYMQCSIDMRPW-UZYOAWRESA-N 0 3 304.409 3.361 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001732900218 1204956734 /nfs/dbraw/zinc/95/67/34/1204956734.db2.gz MDEVVYDFEQTHLM-SGQUHAKNSA-N 0 3 315.461 3.063 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1F ZINC001732969274 1204968401 /nfs/dbraw/zinc/96/84/01/1204968401.db2.gz KGTGEHWPLFATRA-HUUCEWRRSA-N 0 3 304.409 3.175 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2ccc(F)c(F)c2)CC1 ZINC001732969075 1204968853 /nfs/dbraw/zinc/96/88/53/1204968853.db2.gz ODEOBBOBKGAWIC-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001733036927 1204993321 /nfs/dbraw/zinc/99/33/21/1204993321.db2.gz CQNZWNFPJABYEO-CABCVRRESA-N 0 3 320.864 3.497 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001733036930 1204993414 /nfs/dbraw/zinc/99/34/14/1204993414.db2.gz CQNZWNFPJABYEO-LSDHHAIUSA-N 0 3 320.864 3.497 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1ncc(C)s1 ZINC001733069296 1205016772 /nfs/dbraw/zinc/01/67/72/1205016772.db2.gz VEJQDKFJHDVRLW-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1ccc(C)cc1C ZINC001733115897 1205024965 /nfs/dbraw/zinc/02/49/65/1205024965.db2.gz ACJWNXQOCZUYTA-UHFFFAOYSA-N 0 3 322.880 3.427 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CCCc1ccccc1C ZINC001733212823 1205046679 /nfs/dbraw/zinc/04/66/79/1205046679.db2.gz LWLXNUSGDMBZFF-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001733216601 1205048569 /nfs/dbraw/zinc/04/85/69/1205048569.db2.gz WWKCVXMTANNRME-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001733220964 1205050295 /nfs/dbraw/zinc/05/02/95/1205050295.db2.gz KWKUHHOOLBNTAS-KBPBESRZSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1ccc(Cl)cc1 ZINC001733220634 1205050616 /nfs/dbraw/zinc/05/06/16/1205050616.db2.gz GZXMSKNMPHWWLK-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001733222051 1205053020 /nfs/dbraw/zinc/05/30/20/1205053020.db2.gz VUQRVDRFCIMFED-ZDUSSCGKSA-N 0 3 302.409 3.215 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001733225921 1205055498 /nfs/dbraw/zinc/05/54/98/1205055498.db2.gz KKTLPCFSPLUDKL-NSHGMRRFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1coc2ccccc12 ZINC001733228786 1205058026 /nfs/dbraw/zinc/05/80/26/1205058026.db2.gz IPPIRHDHKWAMHB-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](CC)Cc1ccccc1C ZINC001733227852 1205058667 /nfs/dbraw/zinc/05/86/67/1205058667.db2.gz BCWGZVLEUUCMCF-MJGOQNOKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H]1CCN1CCCC)c1ccccc1 ZINC001733237865 1205064607 /nfs/dbraw/zinc/06/46/07/1205064607.db2.gz PPIXZEUZNIMTKI-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C[C@H](NC1(CNC(=O)C#CC(C)(C)C)CC1)c1cccc(F)c1 ZINC001733243817 1205066721 /nfs/dbraw/zinc/06/67/21/1205066721.db2.gz UPVOZSBDIATSNL-AWEZNQCLSA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCCC(=O)N1CC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC001733291285 1205084732 /nfs/dbraw/zinc/08/47/32/1205084732.db2.gz HMZGCAYHHLUPGE-KRWDZBQOSA-N 0 3 304.459 3.139 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001733297525 1205086415 /nfs/dbraw/zinc/08/64/15/1205086415.db2.gz PQBLEVXJHFCAKA-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN CC1(NC(=O)C#CC2CC2)CCN(C/C=C\c2ccccc2)CC1 ZINC001733358869 1205105325 /nfs/dbraw/zinc/10/53/25/1205105325.db2.gz WRBMOGJZWIXNAN-YVMONPNESA-N 0 3 322.452 3.084 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001733402440 1205119369 /nfs/dbraw/zinc/11/93/69/1205119369.db2.gz QGWWYKWGJCQGEK-NRFANRHFSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc(CCCC)cc2)C1 ZINC001733407608 1205121609 /nfs/dbraw/zinc/12/16/09/1205121609.db2.gz KWLKLRFWJUDTJB-FQEVSTJZSA-N 0 3 314.473 3.338 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCc2cccs2)C1 ZINC001733414234 1205124722 /nfs/dbraw/zinc/12/47/22/1205124722.db2.gz UITZLDGWPVGVJS-KRWDZBQOSA-N 0 3 306.475 3.228 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001733413019 1205125232 /nfs/dbraw/zinc/12/52/32/1205125232.db2.gz PYIOAJWXPOFVMS-MLGOLLRUSA-N 0 3 324.877 3.109 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CCCC[C@@H](C)CC)CC1 ZINC001733448796 1205136540 /nfs/dbraw/zinc/13/65/40/1205136540.db2.gz SUKBTDMAIAWNSI-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001733465305 1205146432 /nfs/dbraw/zinc/14/64/32/1205146432.db2.gz ZWCJPJYCTZDCDT-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](C)CCCC)C2)CC1 ZINC001733513140 1205150474 /nfs/dbraw/zinc/15/04/74/1205150474.db2.gz KEEQVYQINJLKKL-MJGOQNOKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](C)CCCC)C2)CC1 ZINC001733513137 1205150481 /nfs/dbraw/zinc/15/04/81/1205150481.db2.gz KEEQVYQINJLKKL-IEBWSBKVSA-N 0 3 318.505 3.397 20 30 DGEDHN CCc1ccccc1[C@@H](CNC(=O)[C@@H](C)C#N)NCC=C(C)C ZINC001733517370 1205151823 /nfs/dbraw/zinc/15/18/23/1205151823.db2.gz FXOGQIGZLDHHKS-MAUKXSAKSA-N 0 3 313.445 3.122 20 30 DGEDHN CCc1ccccc1[C@@H](CNC(=O)[C@H](C)C#N)NCC=C(C)C ZINC001733517367 1205151851 /nfs/dbraw/zinc/15/18/51/1205151851.db2.gz FXOGQIGZLDHHKS-CRAIPNDOSA-N 0 3 313.445 3.122 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C)cc(C)n1 ZINC001733679694 1205182692 /nfs/dbraw/zinc/18/26/92/1205182692.db2.gz CTVGGDLKVTWGRA-UHFFFAOYSA-N 0 3 323.440 3.246 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](CC)C(C)(C)C)C2)CC1 ZINC001733695869 1205188184 /nfs/dbraw/zinc/18/81/84/1205188184.db2.gz PNAZSJDHSOAOKK-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3cccc(F)c3)CCC2)C1 ZINC001733721285 1205193495 /nfs/dbraw/zinc/19/34/95/1205193495.db2.gz JXFMPAUPSUPODP-UHFFFAOYSA-N 0 3 316.420 3.311 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001733770900 1205208834 /nfs/dbraw/zinc/20/88/34/1205208834.db2.gz UUPZWAJUGPJKSD-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001733782554 1205217633 /nfs/dbraw/zinc/21/76/33/1205217633.db2.gz KOMUAQFORGVNJY-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCC[NH2+]C1(CC)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001733802261 1205220671 /nfs/dbraw/zinc/22/06/71/1205220671.db2.gz ZHFJSJIDQLLPTG-UHFFFAOYSA-N 0 3 316.445 3.333 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@@H]1C ZINC001733901162 1205247206 /nfs/dbraw/zinc/24/72/06/1205247206.db2.gz MRANSEOZGJSSSI-HOTGVXAUSA-N 0 3 306.494 3.441 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C[C@H]1C ZINC001733904296 1205249202 /nfs/dbraw/zinc/24/92/02/1205249202.db2.gz ZNZLQNIVZFPADJ-IEBWSBKVSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001733952214 1205269579 /nfs/dbraw/zinc/26/95/79/1205269579.db2.gz SCKZGLREFSTHBI-BPCQOVAHSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001733990164 1205281241 /nfs/dbraw/zinc/28/12/41/1205281241.db2.gz NIFMSPARZDQTLM-QWHCGFSZSA-N 0 3 309.841 3.074 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001734036465 1205298530 /nfs/dbraw/zinc/29/85/30/1205298530.db2.gz LMFBOPUROBRELC-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001734057663 1205309189 /nfs/dbraw/zinc/30/91/89/1205309189.db2.gz GYWMGYXOESEVLE-HNNXBMFYSA-N 0 3 302.462 3.149 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CC(C)(F)F)CCCCC1 ZINC001734089797 1205318860 /nfs/dbraw/zinc/31/88/60/1205318860.db2.gz INSBPEPRGXYNLA-UHFFFAOYSA-N 0 3 308.800 3.193 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001734124682 1205330842 /nfs/dbraw/zinc/33/08/42/1205330842.db2.gz WRLQTADAXOHVQP-GFCCVEGCSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001734126233 1205330955 /nfs/dbraw/zinc/33/09/55/1205330955.db2.gz RKVGCYVJHWZFPD-LSDHHAIUSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001734145402 1205334240 /nfs/dbraw/zinc/33/42/40/1205334240.db2.gz JHOXPZMPGMCKRF-KRWDZBQOSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2C)C(C)(C)C1 ZINC001734149850 1205336294 /nfs/dbraw/zinc/33/62/94/1205336294.db2.gz MLWMRADKMCESQL-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cc(C)cc(C)c2)C(C)(C)C1 ZINC001734154891 1205337401 /nfs/dbraw/zinc/33/74/01/1205337401.db2.gz URWLQDRQTHGECA-SFHVURJKSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\CC)C[C@@H]2C1 ZINC001734184705 1205340381 /nfs/dbraw/zinc/34/03/81/1205340381.db2.gz AUFQCUDYRSAMCT-RKDYKSKUSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](CC)CC(F)(F)F)C2)C1 ZINC001734197056 1205342668 /nfs/dbraw/zinc/34/26/68/1205342668.db2.gz TZXSADGHTAEFHG-CYBMUJFWSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001734212400 1205344135 /nfs/dbraw/zinc/34/41/35/1205344135.db2.gz JXSVSMIEIKUDHW-FPCVCCKLSA-N 0 3 324.896 3.462 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001734220483 1205346075 /nfs/dbraw/zinc/34/60/75/1205346075.db2.gz JGRYGHDKUOLRRM-SHTZXODSSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCCCC1(F)F ZINC001734247697 1205349233 /nfs/dbraw/zinc/34/92/33/1205349233.db2.gz REMRPXSLHGOUQB-QWHCGFSZSA-N 0 3 322.827 3.439 20 30 DGEDHN CN(C(=O)CCC1CC1)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001734296398 1205359229 /nfs/dbraw/zinc/35/92/29/1205359229.db2.gz VIGVSUFDMSTQDJ-HXUWFJFHSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](CNCc1cncs1)C1CC1 ZINC001734297850 1205359287 /nfs/dbraw/zinc/35/92/87/1205359287.db2.gz YEQTZVRIFGXJGW-HNNXBMFYSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001734340836 1205367575 /nfs/dbraw/zinc/36/75/75/1205367575.db2.gz WICGRHKBFYJHOV-ZIAGYGMSSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(C)cc(OC)c1C)C(C)C ZINC001734550488 1205391085 /nfs/dbraw/zinc/39/10/85/1205391085.db2.gz UVIMDUNPRPJCDR-UHFFFAOYSA-N 0 3 318.461 3.280 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2c(F)cccc2F)CC1 ZINC001734627327 1205406851 /nfs/dbraw/zinc/40/68/51/1205406851.db2.gz HMZWCJIYSKRNQI-ZDUSSCGKSA-N 0 3 320.383 3.003 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)CCC)C2 ZINC001671599291 1197551231 /nfs/dbraw/zinc/55/12/31/1197551231.db2.gz VQHWURIWFBGROQ-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001671907437 1194781682 /nfs/dbraw/zinc/78/16/82/1194781682.db2.gz IRFLXDBISQYEDJ-HOCLYGCPSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001266252667 1081581566 /nfs/dbraw/zinc/58/15/66/1081581566.db2.gz XZUSXABBRJZDKL-IUODEOHRSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001266252630 1081581613 /nfs/dbraw/zinc/58/16/13/1081581613.db2.gz XSQMHEXRPGDGCQ-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCCC(=O)NCCN(C)[C@H]1CCc2ccc(Cl)cc21 ZINC001266262632 1081593627 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C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC001266345773 1081687613 /nfs/dbraw/zinc/68/76/13/1081687613.db2.gz YEOGFOAAWXYKID-OALUTQOASA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(C(C)C)CC2)C12CCC2 ZINC001203386880 1081710208 /nfs/dbraw/zinc/71/02/08/1081710208.db2.gz RHLCXIDPAIQXJD-KGLIPLIRSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001266371064 1081710845 /nfs/dbraw/zinc/71/08/45/1081710845.db2.gz RJLKQTJPBLLJSP-DLBZAZTESA-N 0 3 322.468 3.474 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001266371066 1081711035 /nfs/dbraw/zinc/71/10/35/1081711035.db2.gz RJLKQTJPBLLJSP-IRXDYDNUSA-N 0 3 322.468 3.474 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001266371065 1081711056 /nfs/dbraw/zinc/71/10/56/1081711056.db2.gz RJLKQTJPBLLJSP-IAGOWNOFSA-N 0 3 322.468 3.474 20 30 DGEDHN CCC(=CC(=O)NCCN(CC)Cc1cccc(C#N)c1)CC ZINC001266385946 1081728520 /nfs/dbraw/zinc/72/85/20/1081728520.db2.gz MUFIMFILCMYWSE-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001266386433 1081729485 /nfs/dbraw/zinc/72/94/85/1081729485.db2.gz FQZGJLXVRLEIJJ-ZWKOTPCHSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCC[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C)C2 ZINC001108960092 1081743870 /nfs/dbraw/zinc/74/38/70/1081743870.db2.gz JLFCOMJWZQHEQW-ATGSNQNLSA-N 0 3 319.474 3.141 20 30 DGEDHN CCC(CC)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001266398233 1081748813 /nfs/dbraw/zinc/74/88/13/1081748813.db2.gz OSKRBLVHGCNBLM-MRXNPFEDSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001266423033 1081782347 /nfs/dbraw/zinc/78/23/47/1081782347.db2.gz AGUFLPGFZXTFPB-OWMRDYPQSA-N 0 3 322.452 3.045 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001109251669 1081792288 /nfs/dbraw/zinc/79/22/88/1081792288.db2.gz GCMIMDVNRJEFKK-QYZOEREBSA-N 0 3 324.468 3.000 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001266428091 1081792633 /nfs/dbraw/zinc/79/26/33/1081792633.db2.gz AHAOWOUWIJURGA-MJGOQNOKSA-N 0 3 318.436 3.412 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109261200 1081793223 /nfs/dbraw/zinc/79/32/23/1081793223.db2.gz WSUIQUDBBRSDIZ-SQNIBIBYSA-N 0 3 314.473 3.258 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)c2ccco2)CC1 ZINC001167188549 1081793937 /nfs/dbraw/zinc/79/39/37/1081793937.db2.gz SWBHCRDTBIKFDI-CYBMUJFWSA-N 0 3 310.825 3.012 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C=C)c1ccccc1 ZINC001156672794 1081818383 /nfs/dbraw/zinc/81/83/83/1081818383.db2.gz YJYDRTPQPDBICQ-KRWDZBQOSA-N 0 3 300.446 3.313 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCCCF)CCC1 ZINC001109393089 1081823826 /nfs/dbraw/zinc/82/38/26/1081823826.db2.gz PJKDRNCHDNBLQA-IKGGRYGDSA-N 0 3 320.452 3.041 20 30 DGEDHN CCCCCCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001109409767 1081827556 /nfs/dbraw/zinc/82/75/56/1081827556.db2.gz SXNQSIVJCHYJES-IKGGRYGDSA-N 0 3 310.482 3.105 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)cc1)C2 ZINC001109504722 1081852332 /nfs/dbraw/zinc/85/23/32/1081852332.db2.gz KYYBNUYSGVVUCV-QYZOEREBSA-N 0 3 312.457 3.225 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001109624916 1081889110 /nfs/dbraw/zinc/88/91/10/1081889110.db2.gz IVMDMNFQWIMTMY-AABGKKOBSA-N 0 3 324.468 3.410 20 30 DGEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)CC1 ZINC001109681811 1081898039 /nfs/dbraw/zinc/89/80/39/1081898039.db2.gz JALKQOUWBFALBB-FZKCQIBNSA-N 0 3 308.441 3.202 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCCCF)C1 ZINC001109698816 1081901055 /nfs/dbraw/zinc/90/10/55/1081901055.db2.gz UJGAAEPFXUBBBI-PMPSAXMXSA-N 0 3 308.441 3.204 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109769754 1081912141 /nfs/dbraw/zinc/91/21/41/1081912141.db2.gz SJHKTCDRCBNAGN-PMPSAXMXSA-N 0 3 310.457 3.450 20 30 DGEDHN C[Si](C)(C)C#CNC[C@@H](O)c1c(Cl)cccc1Cl ZINC001170032774 1081939904 /nfs/dbraw/zinc/93/99/04/1081939904.db2.gz VBSKPBJTQLYCEW-GFCCVEGCSA-N 0 3 302.277 3.455 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C2 ZINC001109981037 1081943133 /nfs/dbraw/zinc/94/31/33/1081943133.db2.gz LEOKDAKMYJUZAW-YVSFHVDLSA-N 0 3 304.478 3.194 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C2 ZINC001110064396 1081957720 /nfs/dbraw/zinc/95/77/20/1081957720.db2.gz JTCPAZNVPWKUJL-YSHGAJCASA-N 0 3 312.457 3.478 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001266544817 1081977760 /nfs/dbraw/zinc/97/77/60/1081977760.db2.gz JFVAWSQJUWCHNF-ROUUACIJSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112676371 1081985602 /nfs/dbraw/zinc/98/56/02/1081985602.db2.gz KGIIOXDVTJKIAG-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001086547300 1081986391 /nfs/dbraw/zinc/98/63/91/1081986391.db2.gz BPVIIJCAODUXLT-MQMHXKEQSA-N 0 3 318.804 3.283 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001170069030 1081989232 /nfs/dbraw/zinc/98/92/32/1081989232.db2.gz TZKSPVAUYXUCNK-MRJCOXNESA-N 0 3 313.445 3.289 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2cc(F)ccc2s1 ZINC001266577420 1082020640 /nfs/dbraw/zinc/02/06/40/1082020640.db2.gz JXNJSWRSUNWPAG-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C(C)(C)C)oc1C ZINC001167369753 1082032736 /nfs/dbraw/zinc/03/27/36/1082032736.db2.gz PTUQYGGPIJRLLV-UHFFFAOYSA-N 0 3 312.841 3.348 20 30 DGEDHN C#CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001266651526 1082114122 /nfs/dbraw/zinc/11/41/22/1082114122.db2.gz ASDJSVYXVZQENM-OOKSDGMUSA-N 0 3 322.468 3.430 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001266713612 1082163365 /nfs/dbraw/zinc/16/33/65/1082163365.db2.gz JGCAZLMCEPCZLV-CYBMUJFWSA-N 0 3 310.388 3.430 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001086587512 1082175930 /nfs/dbraw/zinc/17/59/30/1082175930.db2.gz YDKWDMWYGOLXET-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001266763568 1082200904 /nfs/dbraw/zinc/20/09/04/1082200904.db2.gz FZEZJVSIYFGSBR-KRWDZBQOSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001266767179 1082203800 /nfs/dbraw/zinc/20/38/00/1082203800.db2.gz LJOKMGDFLRWILO-KRWDZBQOSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001266768149 1082204960 /nfs/dbraw/zinc/20/49/60/1082204960.db2.gz ZNEMONVAOIRKJC-QZTJIDSGSA-N 0 3 322.468 3.146 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001266804359 1082226402 /nfs/dbraw/zinc/22/64/02/1082226402.db2.gz GWBWCVOOSBMIFJ-CABCVRRESA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC001113577155 1082252926 /nfs/dbraw/zinc/25/29/26/1082252926.db2.gz XSLXOWKGACMWPV-QGZVFWFLSA-N 0 3 300.446 3.118 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2CCCCC2)C1 ZINC001266890006 1082307538 /nfs/dbraw/zinc/30/75/38/1082307538.db2.gz LHUYUBFGQYYMGL-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN N#CC1(c2ccccc2)CCC(n2ncc3c2CCNC3)CC1 ZINC001170378482 1082362877 /nfs/dbraw/zinc/36/28/77/1082362877.db2.gz DAZZHULGWMVHDB-UHFFFAOYSA-N 0 3 306.413 3.105 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001086610363 1082387209 /nfs/dbraw/zinc/38/72/09/1082387209.db2.gz GMACFFAKGVRZJP-OQIJWPOYSA-N 0 3 312.457 3.193 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCCCNC/C(Cl)=C\Cl ZINC001170426621 1082393859 /nfs/dbraw/zinc/39/38/59/1082393859.db2.gz XILDRKQUPWCLJQ-MBFWDRTGSA-N 0 3 319.276 3.374 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccccc2CC)C1 ZINC001480909536 1082420417 /nfs/dbraw/zinc/42/04/17/1082420417.db2.gz PLVIZTSFYXTYDD-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC001267082669 1082487947 /nfs/dbraw/zinc/48/79/47/1082487947.db2.gz SFKAPGWXTPDMGE-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2cc(C)cn2c1 ZINC001267130170 1082548106 /nfs/dbraw/zinc/54/81/06/1082548106.db2.gz FTFSMPAWDHOBMD-CQSZACIVSA-N 0 3 319.836 3.098 20 30 DGEDHN CC[C@H]1CCC[C@]1(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001130259143 1082559130 /nfs/dbraw/zinc/55/91/30/1082559130.db2.gz XCUQDQGDOMZHDY-GUYCJALGSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2nc(C)c(C)s2)C1 ZINC001267143049 1082560876 /nfs/dbraw/zinc/56/08/76/1082560876.db2.gz JTKVQHBATMFEON-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C(C)(C)C(F)F ZINC001267174816 1082598018 /nfs/dbraw/zinc/59/80/18/1082598018.db2.gz LQOWBWALXMIKIQ-GFCCVEGCSA-N 0 3 322.827 3.391 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001130904307 1082622842 /nfs/dbraw/zinc/62/28/42/1082622842.db2.gz KGJAURKEBGUYNU-VKJFTORMSA-N 0 3 310.457 3.450 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(F)CCCCC2)CC1 ZINC001167636538 1082631020 /nfs/dbraw/zinc/63/10/20/1082631020.db2.gz UMOBFQKFMVEMGJ-UHFFFAOYSA-N 0 3 316.848 3.287 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCc1ccc(F)c(F)c1 ZINC001267210651 1082643143 /nfs/dbraw/zinc/64/31/43/1082643143.db2.gz KBGQZCXFEABDIC-UHFFFAOYSA-N 0 3 324.415 3.158 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2cccc(CC)c2)cc1 ZINC001267211087 1082643193 /nfs/dbraw/zinc/64/31/93/1082643193.db2.gz SWKPTZNRGLAKDN-UHFFFAOYSA-N 0 3 320.436 3.092 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@H]3NC[C@H]4C[C@H]43)n2)cc1Cl ZINC001211565953 1082653789 /nfs/dbraw/zinc/65/37/89/1082653789.db2.gz QNQFSVMCRFSCMC-RWYTXXIDSA-N 0 3 321.167 3.195 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC001493298975 1082664369 /nfs/dbraw/zinc/66/43/69/1082664369.db2.gz HOLFKBGPDYBNPT-VOTSOKGWSA-N 0 3 316.420 3.081 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001267242631 1082691189 /nfs/dbraw/zinc/69/11/89/1082691189.db2.gz SPGOHXRIJPFBQM-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC=C(C)C)C2)C1 ZINC001131666770 1082700816 /nfs/dbraw/zinc/70/08/16/1082700816.db2.gz RQOTWEYPWHOZKG-MJGOQNOKSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@H](C)O2 ZINC001131681819 1082702840 /nfs/dbraw/zinc/70/28/40/1082702840.db2.gz IPSLEEGMPBPBGC-QFBILLFUSA-N 0 3 322.493 3.081 20 30 DGEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001086672945 1082704089 /nfs/dbraw/zinc/70/40/89/1082704089.db2.gz JGJGTSYJAOXJGE-HNAYVOBHSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(CC)CC)C[C@@H](C)O2 ZINC001131691848 1082707014 /nfs/dbraw/zinc/70/70/14/1082707014.db2.gz AQYHGHPJGSZAAC-APWZRJJASA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001131899130 1082758626 /nfs/dbraw/zinc/75/86/26/1082758626.db2.gz IVHXISAEKNTTHI-SJLPKXTDSA-N 0 3 300.446 3.430 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001267299642 1082761715 /nfs/dbraw/zinc/76/17/15/1082761715.db2.gz ZXMPQHHWGXABTG-AWEZNQCLSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001267300709 1082764028 /nfs/dbraw/zinc/76/40/28/1082764028.db2.gz SQVQVXMLKKHWNX-NVXWUHKLSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1C ZINC001104485864 1082772140 /nfs/dbraw/zinc/77/21/40/1082772140.db2.gz RHAOOCANLZTQRI-UKRRQHHQSA-N 0 3 312.885 3.415 20 30 DGEDHN Cc1ncc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1C#N ZINC001213092088 1082786636 /nfs/dbraw/zinc/78/66/36/1082786636.db2.gz ANUWDHYTCYXIBN-UHFFFAOYSA-N 0 3 319.368 3.040 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001131996325 1082788920 /nfs/dbraw/zinc/78/89/20/1082788920.db2.gz SUXFFIWUASJBNR-HKUYNNGSSA-N 0 3 312.457 3.268 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCCF)C1 ZINC001132079503 1082810419 /nfs/dbraw/zinc/81/04/19/1082810419.db2.gz ZLMGQDSVBFPKRX-WCQYABFASA-N 0 3 304.837 3.094 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104493467 1082804407 /nfs/dbraw/zinc/80/44/07/1082804407.db2.gz AGDRSADTTYHHCC-NVXWUHKLSA-N 0 3 324.896 3.397 20 30 DGEDHN CCc1cccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)c1 ZINC001132046589 1082806165 /nfs/dbraw/zinc/80/61/65/1082806165.db2.gz PUKLNRBDQFFHNQ-UZLBHIALSA-N 0 3 324.468 3.132 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCOCCC(C)C)C1 ZINC001132073584 1082809209 /nfs/dbraw/zinc/80/92/09/1082809209.db2.gz WTWBMQCELCALCM-ZWKOTPCHSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\Cc2ccccc2)CC[C@@H]1C ZINC001132115831 1082821812 /nfs/dbraw/zinc/82/18/12/1082821812.db2.gz KZDIFZQGHKSMBR-JKLVOYIESA-N 0 3 312.457 3.331 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2cccc(F)c2)CC[C@@H]1C ZINC001132113872 1082822100 /nfs/dbraw/zinc/82/21/00/1082822100.db2.gz FPJMKICGKQUOCD-IUUIOCINSA-N 0 3 316.420 3.384 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@@H]1C ZINC001132132405 1082825350 /nfs/dbraw/zinc/82/53/50/1082825350.db2.gz QLJKZBSPGVADHI-QWHCGFSZSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC(C)(C)CC(F)F)CC[C@H]1C ZINC001132190189 1082838113 /nfs/dbraw/zinc/83/81/13/1082838113.db2.gz FNDJBCINIHHLOP-OLZOCXBDSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC(C)(C)CC(F)F)CC[C@@H]1C ZINC001132190191 1082838649 /nfs/dbraw/zinc/83/86/49/1082838649.db2.gz FNDJBCINIHHLOP-STQMWFEESA-N 0 3 302.409 3.213 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC001267371570 1082841080 /nfs/dbraw/zinc/84/10/80/1082841080.db2.gz ZXQJLWPFUJOFAE-KZNAEPCWSA-N 0 3 324.424 3.406 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132217928 1082844844 /nfs/dbraw/zinc/84/48/44/1082844844.db2.gz JKEGERYXKCFWER-JKSUJKDBSA-N 0 3 322.493 3.127 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC001267377198 1082846707 /nfs/dbraw/zinc/84/67/07/1082846707.db2.gz NQJJELJLDKAQLJ-AEFFLSMTSA-N 0 3 324.424 3.162 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOCCC(C)C)C1 ZINC001132228823 1082850705 /nfs/dbraw/zinc/85/07/05/1082850705.db2.gz WVDICRHXLCSOAM-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCC2CCC2)C1 ZINC001132256333 1082859567 /nfs/dbraw/zinc/85/95/67/1082859567.db2.gz MKKCNFRRKFSBFM-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(C)CCCCC2)CC[C@H]1C ZINC001132265837 1082861933 /nfs/dbraw/zinc/86/19/33/1082861933.db2.gz UDEBGQCXJIYTAZ-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1C1(C)CC1 ZINC001493318904 1082863840 /nfs/dbraw/zinc/86/38/40/1082863840.db2.gz YFDMFQDKJGXMGH-UHFFFAOYSA-N 0 3 312.457 3.203 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CCCC)CC2)CC[C@@H]1C ZINC001132278777 1082868175 /nfs/dbraw/zinc/86/81/75/1082868175.db2.gz QRPXAEXOCWAMQA-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CCCC[C@](C)(F)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267394258 1082869013 /nfs/dbraw/zinc/86/90/13/1082869013.db2.gz CJMMQUIDUYKFLX-SFHVURJKSA-N 0 3 319.424 3.025 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCCC)cc1 ZINC001267417441 1082873404 /nfs/dbraw/zinc/87/34/04/1082873404.db2.gz AFHYPRDGOJGDNP-KDURUIRLSA-N 0 3 310.441 3.147 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)N(CCOC(C)C)C2)CC1 ZINC001132293132 1082875238 /nfs/dbraw/zinc/87/52/38/1082875238.db2.gz ZHUGHRMAHNJWOC-FUHWJXTLSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2C)CC[C@H]1C ZINC001132321970 1082885444 /nfs/dbraw/zinc/88/54/44/1082885444.db2.gz MUENSVXRFPOZNR-MJGOQNOKSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2)CC[C@@H]1C ZINC001132444941 1082913054 /nfs/dbraw/zinc/91/30/54/1082913054.db2.gz IQCDPSGYQDDKDN-WMZOPIPTSA-N 0 3 300.446 3.164 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132449083 1082914109 /nfs/dbraw/zinc/91/41/09/1082914109.db2.gz RKPIGOOUGQNZEQ-IAGOWNOFSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccccc2Cl)CC[C@@H]1C ZINC001132467399 1082919505 /nfs/dbraw/zinc/91/95/05/1082919505.db2.gz DSVOVIRVEIVDQR-GOEBONIOSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2sc(C)nc2C)CC[C@H]1C ZINC001132469762 1082919929 /nfs/dbraw/zinc/91/99/29/1082919929.db2.gz WEUVNLHBHSNOMV-IUODEOHRSA-N 0 3 321.490 3.309 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2cccs2)CC[C@H]1C ZINC001132469989 1082920373 /nfs/dbraw/zinc/92/03/73/1082920373.db2.gz ZXJWOHMGMDPJFX-CABCVRRESA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)C[C@H]2CC[C@H](C)O2)CCCCC1 ZINC001480949667 1082925825 /nfs/dbraw/zinc/92/58/25/1082925825.db2.gz LWFZOHKNLSDZFZ-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cc(F)ccc2F)CC[C@H]1C ZINC001132524792 1082934237 /nfs/dbraw/zinc/93/42/37/1082934237.db2.gz LKURRPVJRNXWDU-CJNGLKHVSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C2CC2)C2CC2)CC[C@H]1C ZINC001132522938 1082936589 /nfs/dbraw/zinc/93/65/89/1082936589.db2.gz VGXIBOHFTGLKSX-PBHICJAKSA-N 0 3 304.478 3.358 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C(F)=C3CCCC3)C(C)(C)[C@@H]21 ZINC001087281822 1082938339 /nfs/dbraw/zinc/93/83/39/1082938339.db2.gz MURKYQODRBWDML-DJIMGWMZSA-N 0 3 318.436 3.022 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001132569109 1082948476 /nfs/dbraw/zinc/94/84/76/1082948476.db2.gz KSMCNLNJCUNOKR-KBPBESRZSA-N 0 3 300.402 3.097 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(Cc2cnc(C)o2)C(C)C)C1 ZINC001267508681 1082967104 /nfs/dbraw/zinc/96/71/04/1082967104.db2.gz FEVDAKKLZCBHGL-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132660018 1082973512 /nfs/dbraw/zinc/97/35/12/1082973512.db2.gz HJIZJMIJLQBCBP-CYBMUJFWSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cscc1C)c1ccccc1 ZINC001267516176 1082975163 /nfs/dbraw/zinc/97/51/63/1082975163.db2.gz AVIXPXIQDZQUKO-MRXNPFEDSA-N 0 3 300.427 3.303 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001132662978 1082975293 /nfs/dbraw/zinc/97/52/93/1082975293.db2.gz NBIYEEPVMOKSAO-CHWSQXEVSA-N 0 3 310.388 3.334 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132667886 1082976226 /nfs/dbraw/zinc/97/62/26/1082976226.db2.gz VTHKTZQPYBKBBG-GFCCVEGCSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc[nH]c1CC)c1ccccc1 ZINC001267518725 1082978614 /nfs/dbraw/zinc/97/86/14/1082978614.db2.gz AWNRPCVLDPNCLW-GOSISDBHSA-N 0 3 311.429 3.214 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1 ZINC001267523975 1082984414 /nfs/dbraw/zinc/98/44/14/1082984414.db2.gz ZZSPLXXNLZVEPT-YOEHRIQHSA-N 0 3 314.454 3.485 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)ccc3C)C(C)(C)[C@H]21 ZINC001087315046 1082986726 /nfs/dbraw/zinc/98/67/26/1082986726.db2.gz VPEJFZIRSNAWDB-QRQLOZEOSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(F)cc1C)c1ccccc1 ZINC001267524638 1082987032 /nfs/dbraw/zinc/98/70/32/1082987032.db2.gz DGTHSUFDFKPOFZ-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001170634271 1082998508 /nfs/dbraw/zinc/99/85/08/1082998508.db2.gz HIAIAMGYEPRXRT-JTQLQIEISA-N 0 3 321.273 3.353 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CCc2ccsc2)C1 ZINC001267542433 1083010188 /nfs/dbraw/zinc/01/01/88/1083010188.db2.gz WQIWBFWYJMCDBO-QGZVFWFLSA-N 0 3 318.486 3.017 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@@H](CNCc2nccs2)C1 ZINC001132865625 1083010598 /nfs/dbraw/zinc/01/05/98/1083010598.db2.gz PPIHTKLFOABHCN-GJZGRUSLSA-N 0 3 321.490 3.074 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CCCCNC/C(Cl)=C/Cl ZINC001170647274 1083041251 /nfs/dbraw/zinc/04/12/51/1083041251.db2.gz FBJXTWGIRNDCMD-JFBXQDQPSA-N 0 3 319.276 3.229 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1oc2c(cccc2F)c1C ZINC001480978877 1083058758 /nfs/dbraw/zinc/05/87/58/1083058758.db2.gz NWVDGAVELPAHAJ-UHFFFAOYSA-N 0 3 304.365 3.118 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001133380810 1083110751 /nfs/dbraw/zinc/11/07/51/1083110751.db2.gz PFQYYINBRXUSKQ-SJCJKPOMSA-N 0 3 310.388 3.334 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133586217 1083156937 /nfs/dbraw/zinc/15/69/37/1083156937.db2.gz MPPQZGLLIUNAQA-KGLIPLIRSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CCC(C)C ZINC001133605928 1083161616 /nfs/dbraw/zinc/16/16/16/1083161616.db2.gz BBFKESABLRCVNB-CHWSQXEVSA-N 0 3 319.287 3.204 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C ZINC001104609075 1083162346 /nfs/dbraw/zinc/16/23/46/1083162346.db2.gz YHDHSVVNBVLOAJ-TZMCWYRMSA-N 0 3 300.874 3.249 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133606623 1083164275 /nfs/dbraw/zinc/16/42/75/1083164275.db2.gz MRNFCMKWQLEBDR-JKSUJKDBSA-N 0 3 315.461 3.367 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(CCC)CC2)C[C@H]1C ZINC001104643556 1083171321 /nfs/dbraw/zinc/17/13/21/1083171321.db2.gz VTMYKEMOUQYTKU-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133707544 1083176990 /nfs/dbraw/zinc/17/69/90/1083176990.db2.gz ILPBOQGJMKUSDH-LSDHHAIUSA-N 0 3 301.434 3.121 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1C ZINC001104691659 1083187845 /nfs/dbraw/zinc/18/78/45/1083187845.db2.gz QPAJBTOWGDQZLM-RAIGVLPGSA-N 0 3 322.827 3.104 20 30 DGEDHN CN(C)/C=N/c1ccc(NCc2cccc3ccnn32)cc1C#N ZINC001170707152 1083193756 /nfs/dbraw/zinc/19/37/56/1083193756.db2.gz GPHHGLNIEXRAOV-FYJGNVAPSA-N 0 3 318.384 3.039 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001481118951 1083195331 /nfs/dbraw/zinc/19/53/31/1083195331.db2.gz KPRYCKZRVFGXSI-QZTJIDSGSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)sc1C ZINC001133884459 1083205924 /nfs/dbraw/zinc/20/59/24/1083205924.db2.gz PTQCOTLFPLXXLT-NEPJUHHUSA-N 0 3 309.479 3.099 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)CCC1CC1)NCc1ccccc1C#N ZINC001133964372 1083217635 /nfs/dbraw/zinc/21/76/35/1083217635.db2.gz HNZLVVZODJVWJF-CABCVRRESA-N 0 3 313.445 3.121 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)C=C1CCC1)NCc1ccccc1C#N ZINC001134113753 1083242646 /nfs/dbraw/zinc/24/26/46/1083242646.db2.gz FLPDJJRWGHSWMK-HUUCEWRRSA-N 0 3 311.429 3.041 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001134201411 1083256709 /nfs/dbraw/zinc/25/67/09/1083256709.db2.gz OSPOHYCFBNKJQP-ZIAGYGMSSA-N 0 3 322.399 3.141 20 30 DGEDHN C#CCC1(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCCC1 ZINC001134293809 1083265086 /nfs/dbraw/zinc/26/50/86/1083265086.db2.gz UAPQCEFWPKTEGZ-SFHVURJKSA-N 0 3 308.441 3.041 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134285896 1083267599 /nfs/dbraw/zinc/26/75/99/1083267599.db2.gz YMPNPAMGGMOBBC-LDXCAOIPSA-N 0 3 313.445 3.287 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001267705242 1083274177 /nfs/dbraw/zinc/27/41/77/1083274177.db2.gz SLQHBWTXNQXMBX-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001267711652 1083277304 /nfs/dbraw/zinc/27/73/04/1083277304.db2.gz BYKRRJKAHJWRDV-VSZNYVQBSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1occc1C ZINC001267712463 1083277645 /nfs/dbraw/zinc/27/76/45/1083277645.db2.gz QGMGNZVDWRKLCJ-IRXDYDNUSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001267734507 1083292740 /nfs/dbraw/zinc/29/27/40/1083292740.db2.gz LOIGPJIESBOLHF-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001134457697 1083295707 /nfs/dbraw/zinc/29/57/07/1083295707.db2.gz RYNOAUYDYIKPOJ-OLZOCXBDSA-N 0 3 321.465 3.267 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001267748712 1083315618 /nfs/dbraw/zinc/31/56/18/1083315618.db2.gz FWZVJPHRTSWJKI-MJGOQNOKSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC001267749168 1083316427 /nfs/dbraw/zinc/31/64/27/1083316427.db2.gz NQVFIHSKSRYBSW-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1C ZINC001104843750 1083316838 /nfs/dbraw/zinc/31/68/38/1083316838.db2.gz ZRBPFDXUAAJYHP-SQWLQELKSA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001267753608 1083320672 /nfs/dbraw/zinc/32/06/72/1083320672.db2.gz INGSJNVROLWFOC-WMLDXEAASA-N 0 3 320.864 3.285 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001267765324 1083328861 /nfs/dbraw/zinc/32/88/61/1083328861.db2.gz XESHEABTMQTJCM-LJQANCHMSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001481266972 1083344302 /nfs/dbraw/zinc/34/43/02/1083344302.db2.gz PNQRLJIEQSCJMY-UHFFFAOYSA-N 0 3 300.402 3.193 20 30 DGEDHN CCCC1(C(=O)N(C)CCNCc2cccc(C#N)c2)CCC1 ZINC001481267598 1083345477 /nfs/dbraw/zinc/34/54/77/1083345477.db2.gz CZTDXOFZFJZVCO-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](CC)NCc2cnc(C)s2)CC1 ZINC001267819684 1083381054 /nfs/dbraw/zinc/38/10/54/1083381054.db2.gz ZALYGKUDSFUDGP-HNNXBMFYSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC001211653134 1083415198 /nfs/dbraw/zinc/41/51/98/1083415198.db2.gz HSVTYSHNQKVECY-GBESFXJTSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)c(C)n2)CCCC1 ZINC001267840771 1083426836 /nfs/dbraw/zinc/42/68/36/1083426836.db2.gz KKORBIAKJAXUNB-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CCNCc2cc(C)no2)C1 ZINC001267892530 1083524818 /nfs/dbraw/zinc/52/48/18/1083524818.db2.gz GQKNJLFISVFDHN-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC001267924803 1083578257 /nfs/dbraw/zinc/57/82/57/1083578257.db2.gz IZSOEVGJCGURGX-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H]2CCC[C@H]2C)cc1 ZINC001267937872 1083602489 /nfs/dbraw/zinc/60/24/89/1083602489.db2.gz AQWVHJSMDQKUCO-VQIMIIECSA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC001267940290 1083607126 /nfs/dbraw/zinc/60/71/26/1083607126.db2.gz HYLDJLADPFTCRI-UHFFFAOYSA-N 0 3 324.399 3.095 20 30 DGEDHN CC1(C(=O)NCCC2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC001267943540 1083613495 /nfs/dbraw/zinc/61/34/95/1083613495.db2.gz RKHMLXOFZOOGJW-UHFFFAOYSA-N 0 3 324.468 3.057 20 30 DGEDHN C#CCCCNC(=O)[C@H](c1ccccc1)N(CC)CCCC ZINC001182237976 1083659500 /nfs/dbraw/zinc/65/95/00/1083659500.db2.gz YWDMHSXDLAJRAP-SFHVURJKSA-N 0 3 300.446 3.379 20 30 DGEDHN CCCCN(CC)[C@@H](C(=O)NCCCS)c1ccccc1 ZINC001182238700 1083660017 /nfs/dbraw/zinc/66/00/17/1083660017.db2.gz ZJMJOITXQURCMA-MRXNPFEDSA-N 0 3 308.491 3.286 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1ccncc1Cl ZINC001267988584 1083705807 /nfs/dbraw/zinc/70/58/07/1083705807.db2.gz VRIOAARTBOEIPE-CYBMUJFWSA-N 0 3 323.868 3.179 20 30 DGEDHN CCC(C)(C)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182847852 1083806773 /nfs/dbraw/zinc/80/67/73/1083806773.db2.gz HRYHEVVGGLDPLH-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001481361028 1083820975 /nfs/dbraw/zinc/82/09/75/1083820975.db2.gz VFTFYWIUIHKACS-WBAXXEDZSA-N 0 3 300.446 3.399 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1c(C)oc(C)c1C)c1ccccc1 ZINC001481364486 1083823968 /nfs/dbraw/zinc/82/39/68/1083823968.db2.gz AJXBSQNMUKPSFW-SFHVURJKSA-N 0 3 324.424 3.289 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc(OC)c1C)c1ccccc1 ZINC001481370756 1083830460 /nfs/dbraw/zinc/83/04/60/1083830460.db2.gz LCNKJTMGPYOTFU-GOSISDBHSA-N 0 3 324.424 3.250 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CCC=CCC1)c1ccccc1 ZINC001481371304 1083831290 /nfs/dbraw/zinc/83/12/90/1083831290.db2.gz CRCCZJKKQPNBJD-IBGZPJMESA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 ZINC001481374334 1083836306 /nfs/dbraw/zinc/83/63/06/1083836306.db2.gz MDTFGAQZCMMHEN-LRMJVLKBSA-N 0 3 312.457 3.446 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001182933409 1083847818 /nfs/dbraw/zinc/84/78/18/1083847818.db2.gz RVWWKZDFYMQTGB-GFCCVEGCSA-N 0 3 312.866 3.448 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC2=CCCCC2)C1 ZINC001481393983 1083855872 /nfs/dbraw/zinc/85/58/72/1083855872.db2.gz AVTQOCZAOTVTHD-GOSISDBHSA-N 0 3 302.462 3.213 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C2CCC3(CC3)CC2)C1 ZINC001481402948 1083871503 /nfs/dbraw/zinc/87/15/03/1083871503.db2.gz IHTIKBCXYZDIKJ-SFHVURJKSA-N 0 3 316.489 3.293 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2ccccc2C#N)CC1 ZINC001204368221 1083880661 /nfs/dbraw/zinc/88/06/61/1083880661.db2.gz VXJLSCUVFSFFOP-UHFFFAOYSA-N 0 3 306.413 3.001 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C)ccc2C)C1 ZINC001481411525 1083883874 /nfs/dbraw/zinc/88/38/74/1083883874.db2.gz ZAMLEMASNHTBSM-GOSISDBHSA-N 0 3 312.457 3.253 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C)C2 ZINC001110340591 1084028262 /nfs/dbraw/zinc/02/82/62/1084028262.db2.gz QTKPSMDQXUFXSC-OAGGEKHMSA-N 0 3 317.433 3.065 20 30 DGEDHN C=C(C)CC[N@@H+](C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001481511685 1084043337 /nfs/dbraw/zinc/04/33/37/1084043337.db2.gz JEYOFSBRDZWOQY-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(C)CC[N@H+](C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001481511685 1084043346 /nfs/dbraw/zinc/04/33/46/1084043346.db2.gz JEYOFSBRDZWOQY-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001268055915 1084051017 /nfs/dbraw/zinc/05/10/17/1084051017.db2.gz QGGAGNRUMGMXLX-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC001481525481 1084074509 /nfs/dbraw/zinc/07/45/09/1084074509.db2.gz IBRZTLGFNPOCAZ-IEBWSBKVSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)[C@@H](C)C1 ZINC001184078207 1084101227 /nfs/dbraw/zinc/10/12/27/1084101227.db2.gz MWQYUCDUHRQNGD-WKJNPJQJSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001493374358 1084109420 /nfs/dbraw/zinc/10/94/20/1084109420.db2.gz XWUNDKIQVLLKSB-UHFFFAOYSA-N 0 3 300.446 3.370 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC(CC)CC)C[C@H]1c1ccccc1 ZINC001211698445 1084152355 /nfs/dbraw/zinc/15/23/55/1084152355.db2.gz OFYXEDZTMBEGCL-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2cncs2)CC(C)C)C1 ZINC001268111941 1084185306 /nfs/dbraw/zinc/18/53/06/1084185306.db2.gz SKYCFUMEMCUDFN-AWEZNQCLSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001268192879 1084305586 /nfs/dbraw/zinc/30/55/86/1084305586.db2.gz GWWVCFMDJKLTGT-HNNXBMFYSA-N 0 3 320.502 3.474 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001185000585 1084320328 /nfs/dbraw/zinc/32/03/28/1084320328.db2.gz WKFCCLBAACFROC-CYBMUJFWSA-N 0 3 324.877 3.286 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@@H](C)c1cccc(F)c1 ZINC001268245949 1084401462 /nfs/dbraw/zinc/40/14/62/1084401462.db2.gz UTFSCOTVHGHHEA-AWEZNQCLSA-N 0 3 306.425 3.489 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001185296971 1084408277 /nfs/dbraw/zinc/40/82/77/1084408277.db2.gz WJHTZGZDTFVQJO-CQSZACIVSA-N 0 3 308.372 3.012 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC001268257083 1084420729 /nfs/dbraw/zinc/42/07/29/1084420729.db2.gz SDHORCCSQIOPPC-SJLPKXTDSA-N 0 3 302.462 3.393 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCCC2 ZINC001481681006 1084469349 /nfs/dbraw/zinc/46/93/49/1084469349.db2.gz UAJDVLOPTRUXRR-PMACEKPBSA-N 0 3 324.468 3.430 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001481706746 1084500820 /nfs/dbraw/zinc/50/08/20/1084500820.db2.gz NQXCNLMURWNYCB-OAHLLOKOSA-N 0 3 316.376 3.342 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001279318397 1084529667 /nfs/dbraw/zinc/52/96/67/1084529667.db2.gz MLKKMZZHXOQNGT-IEBWSBKVSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCNCc2nc(C)cs2)CC1 ZINC001268398446 1084562453 /nfs/dbraw/zinc/56/24/53/1084562453.db2.gz ZIKMEVLVQLQMQX-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN CCC(=CC(=O)N(CC)CCNCc1ccc(C#N)s1)CC ZINC001268443472 1084601497 /nfs/dbraw/zinc/60/14/97/1084601497.db2.gz SACUCEOFJBDCFU-UHFFFAOYSA-N 0 3 319.474 3.304 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)Cc2ccccc2)C1 ZINC001481781110 1084635094 /nfs/dbraw/zinc/63/50/94/1084635094.db2.gz AFCYFLRYPVIXNW-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)NCC#Cc1ccccc1Cl ZINC001481793432 1084636381 /nfs/dbraw/zinc/63/63/81/1084636381.db2.gz BBLFTKADYATPKI-MRXNPFEDSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1ccc(Cl)nc1 ZINC001268484029 1084704914 /nfs/dbraw/zinc/70/49/14/1084704914.db2.gz KNXFJUIQNABUSZ-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001187012082 1084738361 /nfs/dbraw/zinc/73/83/61/1084738361.db2.gz UDUBGBKZCXAGRM-RTBURBONSA-N 0 3 312.457 3.030 20 30 DGEDHN CCCCCCCN1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001187055041 1084746971 /nfs/dbraw/zinc/74/69/71/1084746971.db2.gz LXLIRRFNOJMTRX-LSDHHAIUSA-N 0 3 321.490 3.260 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001481984398 1084748890 /nfs/dbraw/zinc/74/88/90/1084748890.db2.gz PHAMLFSFJIQMMJ-CABCVRRESA-N 0 3 324.852 3.354 20 30 DGEDHN CN(C)Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC001187277759 1084780531 /nfs/dbraw/zinc/78/05/31/1084780531.db2.gz NYRTVTCCBZNIQV-UHFFFAOYSA-N 0 3 324.428 3.429 20 30 DGEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)(C)C)C2 ZINC001110392427 1084784173 /nfs/dbraw/zinc/78/41/73/1084784173.db2.gz NWKZOGXFSBVKPJ-ZACQAIPSSA-N 0 3 322.493 3.127 20 30 DGEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C2=CCCCCC2)c1 ZINC001268532045 1084788798 /nfs/dbraw/zinc/78/87/98/1084788798.db2.gz CNBOORJXOGPJGY-AATRIKPKSA-N 0 3 323.440 3.211 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001268647317 1084912621 /nfs/dbraw/zinc/91/26/21/1084912621.db2.gz ZKHKALPDTJDOEF-OAHLLOKOSA-N 0 3 317.477 3.402 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268693476 1084948861 /nfs/dbraw/zinc/94/88/61/1084948861.db2.gz DHSLVWATMDBGSC-QWHCGFSZSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001268730825 1084994393 /nfs/dbraw/zinc/99/43/93/1084994393.db2.gz WLDDPKOLGZFFLF-CQSZACIVSA-N 0 3 306.837 3.080 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001268749359 1085026009 /nfs/dbraw/zinc/02/60/09/1085026009.db2.gz VWBHTFSIQKGVEI-SJLPKXTDSA-N 0 3 302.462 3.186 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001268811758 1085060040 /nfs/dbraw/zinc/06/00/40/1085060040.db2.gz JVCLUWQPFSXCEC-UHFFFAOYSA-N 0 3 319.836 3.281 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001268873958 1085071537 /nfs/dbraw/zinc/07/15/37/1085071537.db2.gz CQGIGFIJFVFARE-AZUAARDMSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001268874703 1085072413 /nfs/dbraw/zinc/07/24/13/1085072413.db2.gz WAGNDSRXHVFCJE-SFHVURJKSA-N 0 3 320.502 3.331 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001268939845 1085083290 /nfs/dbraw/zinc/08/32/90/1085083290.db2.gz TWFPTYLKCFVAKC-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccc(F)c(F)c1)C1CC1 ZINC001269074506 1085114663 /nfs/dbraw/zinc/11/46/63/1085114663.db2.gz BVLMMOPPUAAXRW-KRWDZBQOSA-N 0 3 322.399 3.306 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001269121751 1085137367 /nfs/dbraw/zinc/13/73/67/1085137367.db2.gz LGPAKAAEARDRPD-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001269171785 1085176029 /nfs/dbraw/zinc/17/60/29/1085176029.db2.gz BMQGTFDPRMUXGX-QZTJIDSGSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269241198 1085230150 /nfs/dbraw/zinc/23/01/50/1085230150.db2.gz SCDXKCIUEKYWQF-AEFFLSMTSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CC1(CC(=O)N(CC)[C@H]2CCN(CCOC)C2)CCCCC1 ZINC001269348044 1085323691 /nfs/dbraw/zinc/32/36/91/1085323691.db2.gz HLTCCIIJBRWMQQ-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001269351225 1085329446 /nfs/dbraw/zinc/32/94/46/1085329446.db2.gz NXHKGHYROLYWIS-AEFFLSMTSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)C(C)(C)C)CCCC1 ZINC001482222723 1085408278 /nfs/dbraw/zinc/40/82/78/1085408278.db2.gz JFCGROFZFOWAGY-ZDUSSCGKSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCCC(=O)N1CCC2(CN(Cc3cccc(C)c3)C2)CC1 ZINC001482241305 1085560874 /nfs/dbraw/zinc/56/08/74/1085560874.db2.gz LVWFQZZLELHGNK-UHFFFAOYSA-N 0 3 324.468 3.223 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001482256891 1085644018 /nfs/dbraw/zinc/64/40/18/1085644018.db2.gz DAKHMVJIMFOSOE-CABCVRRESA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270143054 1085710149 /nfs/dbraw/zinc/71/01/49/1085710149.db2.gz DOYCGAPYSQTAAT-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270258907 1085752929 /nfs/dbraw/zinc/75/29/29/1085752929.db2.gz HUWRCTRJFUBSNX-TZIWHRDSSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC001270266357 1085755440 /nfs/dbraw/zinc/75/54/40/1085755440.db2.gz CVBGIWSSYPZENB-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccccc1F ZINC001482276494 1085758862 /nfs/dbraw/zinc/75/88/62/1085758862.db2.gz UUCISOMUPGWEOB-CABCVRRESA-N 0 3 304.409 3.127 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CN[C@H](C)c1ccccc1F ZINC001482276498 1085759023 /nfs/dbraw/zinc/75/90/23/1085759023.db2.gz UUCISOMUPGWEOB-HUUCEWRRSA-N 0 3 304.409 3.127 20 30 DGEDHN C#CCN(C(=O)c1ccc(CC)cc1)C1CCN(CC(=C)C)CC1 ZINC001270359663 1085784373 /nfs/dbraw/zinc/78/43/73/1085784373.db2.gz ZOIVTBWNCHIFLC-UHFFFAOYSA-N 0 3 324.468 3.365 20 30 DGEDHN CC(C)C#CC(=O)N[C@]1(C)CCN(Cc2ccccc2C2CC2)C1 ZINC001270582272 1085872864 /nfs/dbraw/zinc/87/28/64/1085872864.db2.gz FECWBGQDYDICPF-OAQYLSRUSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C/C=C/Cc1ccccc1 ZINC001626750896 1085901425 /nfs/dbraw/zinc/90/14/25/1085901425.db2.gz LBRHQTFBJLOLQH-MDZDMXLPSA-N 0 3 300.446 3.142 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3cccc(C#N)c3)cc2)CC1 ZINC001204747275 1085935751 /nfs/dbraw/zinc/93/57/51/1085935751.db2.gz POIWTHHERNOLBT-UHFFFAOYSA-N 0 3 306.413 3.049 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001482317521 1085952302 /nfs/dbraw/zinc/95/23/02/1085952302.db2.gz RPXDDDFMAAWOBW-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN CC/C=C(\C)C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001270721353 1085964865 /nfs/dbraw/zinc/96/48/65/1085964865.db2.gz XACIFHDTDDTZPE-VCHYOVAHSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cnc(C)s2)CCC1 ZINC001482327653 1086011449 /nfs/dbraw/zinc/01/14/49/1086011449.db2.gz NHTJNRKXFVASJQ-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001482328000 1086012019 /nfs/dbraw/zinc/01/20/19/1086012019.db2.gz QWDBRRNSTAYYRF-SJKOYZFVSA-N 0 3 323.506 3.299 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2(C)CCCCCC2)CC1 ZINC001270885427 1086142070 /nfs/dbraw/zinc/14/20/70/1086142070.db2.gz IWENJRCROXTPST-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001270932260 1086197704 /nfs/dbraw/zinc/19/77/04/1086197704.db2.gz KQUBEHJNAUTZEM-AATRIKPKSA-N 0 3 324.468 3.250 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001270932262 1086198324 /nfs/dbraw/zinc/19/83/24/1086198324.db2.gz KQUBEHJNAUTZEM-WAYWQWQTSA-N 0 3 324.468 3.250 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001482447537 1086224901 /nfs/dbraw/zinc/22/49/01/1086224901.db2.gz MGAUMPFPIISIEG-OAHLLOKOSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCCc2ccccc2)C1 ZINC001270992212 1086234214 /nfs/dbraw/zinc/23/42/14/1086234214.db2.gz SVPSLOJEEXMVFA-HXUWFJFHSA-N 0 3 314.473 3.414 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001270998655 1086239462 /nfs/dbraw/zinc/23/94/62/1086239462.db2.gz GSUNARNWORVWHP-YJBOKZPZSA-N 0 3 304.434 3.096 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001271017601 1086253807 /nfs/dbraw/zinc/25/38/07/1086253807.db2.gz RQFQSWPGYCAAHT-LJQANCHMSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H]1CC ZINC001087575063 1086312614 /nfs/dbraw/zinc/31/26/14/1086312614.db2.gz NAWXEQUJCALASS-LWYYNNOASA-N 0 3 324.468 3.173 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)[C@H]1CC ZINC001087679857 1086354958 /nfs/dbraw/zinc/35/49/58/1086354958.db2.gz MCSPYAKJFKSYOR-DLBZAZTESA-N 0 3 312.413 3.130 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ncccc32)[C@H]1CC ZINC001087678360 1086357131 /nfs/dbraw/zinc/35/71/31/1086357131.db2.gz IJHKMNAJOKIEJM-ZWKOTPCHSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2F)[C@H]1CC ZINC001087740176 1086389818 /nfs/dbraw/zinc/38/98/18/1086389818.db2.gz SLXZYYGMXJGFBT-LSDHHAIUSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)[C@H]1CC ZINC001087749756 1086394446 /nfs/dbraw/zinc/39/44/46/1086394446.db2.gz YEQOBCXMRGVOFE-LSDHHAIUSA-N 0 3 322.836 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1CC ZINC001087796497 1086412255 /nfs/dbraw/zinc/41/22/55/1086412255.db2.gz CHPVATGGUXGCAS-JKSUJKDBSA-N 0 3 304.434 3.309 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)s2)[C@H]1CC ZINC001087795797 1086412489 /nfs/dbraw/zinc/41/24/89/1086412489.db2.gz XURQUDFRHHEILV-LSDHHAIUSA-N 0 3 316.470 3.232 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)[C@H]1CC ZINC001087793635 1086415244 /nfs/dbraw/zinc/41/52/44/1086415244.db2.gz UOHZMXAZFGWXRE-ZWKOTPCHSA-N 0 3 323.440 3.450 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)[C@H]1CC ZINC001087835364 1086435341 /nfs/dbraw/zinc/43/53/41/1086435341.db2.gz WVSFATYSESRGIL-OAUYIBNBSA-N 0 3 322.399 3.223 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)[C@H]1CC ZINC001087847086 1086444375 /nfs/dbraw/zinc/44/43/75/1086444375.db2.gz NGBIREPIPMAPDT-PKOBYXMFSA-N 0 3 323.440 3.450 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@H](F)CC)C[C@H]2C1 ZINC001088064705 1086539702 /nfs/dbraw/zinc/53/97/02/1086539702.db2.gz QUIFFYRQEUEMDX-OWCLPIDISA-N 0 3 310.457 3.117 20 30 DGEDHN CCCC[C@H](CC)CN1CCC12CN(C(=O)CCCC#N)C2 ZINC001271252982 1086557623 /nfs/dbraw/zinc/55/76/23/1086557623.db2.gz UTGPXELUAIHSKB-INIZCTEOSA-N 0 3 305.466 3.183 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cncc(C)c1)CC(C)C ZINC001271285999 1086564006 /nfs/dbraw/zinc/56/40/06/1086564006.db2.gz NNUFTGBBLKKXON-QGZVFWFLSA-N 0 3 317.477 3.223 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CCCCCC)C[C@]2(C)C1 ZINC001101400494 1086639910 /nfs/dbraw/zinc/63/99/10/1086639910.db2.gz YXKRGNPENZXHRE-GGPKGHCWSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCC3CCCCC3)C[C@@H]2C1 ZINC001088189520 1086648331 /nfs/dbraw/zinc/64/83/31/1086648331.db2.gz GIHDCRJQMOBCQC-MOPGFXCFSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001088216724 1086656166 /nfs/dbraw/zinc/65/61/66/1086656166.db2.gz WMKNNUJVEYNMSJ-SQNIBIBYSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001271484484 1086666495 /nfs/dbraw/zinc/66/64/95/1086666495.db2.gz DSJFISQJOKNNSB-AWEZNQCLSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCc1nc(C)cs1 ZINC001271493640 1086668609 /nfs/dbraw/zinc/66/86/09/1086668609.db2.gz BYFZWDDCWSIJHJ-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)Cc1ccc(C)o1 ZINC001271514585 1086673933 /nfs/dbraw/zinc/67/39/33/1086673933.db2.gz RSOOVAIQMNMGGI-HNNXBMFYSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2occc2C)C1 ZINC001088264164 1086736892 /nfs/dbraw/zinc/73/68/92/1086736892.db2.gz XCNHNJRGEZWKDB-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001088269990 1086746685 /nfs/dbraw/zinc/74/66/85/1086746685.db2.gz XXFSCBNDWJSWFL-ISBHARSQSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC(F)(F)F)C1 ZINC001088271563 1086748247 /nfs/dbraw/zinc/74/82/47/1086748247.db2.gz KDRLURGFCQPIRC-LLVKDONJSA-N 0 3 312.763 3.052 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H]1CCCC1(F)F)C(C)C ZINC001271887167 1086807995 /nfs/dbraw/zinc/80/79/95/1086807995.db2.gz YOZBMDKYXHNUOS-QWHCGFSZSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001088383404 1086900473 /nfs/dbraw/zinc/90/04/73/1086900473.db2.gz CUYLWGCCLKLJMM-STQMWFEESA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001088388977 1086901728 /nfs/dbraw/zinc/90/17/28/1086901728.db2.gz HIGWNUMNPFNGSX-HNNXBMFYSA-N 0 3 323.868 3.358 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001088392150 1086905036 /nfs/dbraw/zinc/90/50/36/1086905036.db2.gz BVFGDLSPZDYRKL-LSDHHAIUSA-N 0 3 300.874 3.392 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001168143742 1086983593 /nfs/dbraw/zinc/98/35/93/1086983593.db2.gz LGGOOUAYFWUJLG-CABCVRRESA-N 0 3 302.393 3.250 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC001088597808 1087122868 /nfs/dbraw/zinc/12/28/68/1087122868.db2.gz YUATWTHHHXLEDK-AEFFLSMTSA-N 0 3 300.446 3.001 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC001482677610 1087132676 /nfs/dbraw/zinc/13/26/76/1087132676.db2.gz IMYINEOPHOPVRI-HOCLYGCPSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)Cc2cccc(CC)c2)C1 ZINC001496780732 1087158219 /nfs/dbraw/zinc/15/82/19/1087158219.db2.gz DTPRQADSLJGHKU-UHFFFAOYSA-N 0 3 314.473 3.496 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCNCc1cccc(F)c1Cl ZINC001482816738 1087166532 /nfs/dbraw/zinc/16/65/32/1087166532.db2.gz JPIQJUNJLTVDIP-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2cc(C)cn2c1 ZINC001482839898 1087168598 /nfs/dbraw/zinc/16/85/98/1087168598.db2.gz OACPLFPGRTZSSS-AWEZNQCLSA-N 0 3 319.836 3.098 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001272172098 1087226393 /nfs/dbraw/zinc/22/63/93/1087226393.db2.gz JJODGQFWUOYYPN-AWEZNQCLSA-N 0 3 320.502 3.453 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc(CC)cc1 ZINC001272171588 1087226439 /nfs/dbraw/zinc/22/64/39/1087226439.db2.gz AJEJDBYNTHOTCY-UHFFFAOYSA-N 0 3 302.462 3.148 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)[C@H]1C ZINC001088660898 1087247985 /nfs/dbraw/zinc/24/79/85/1087247985.db2.gz MFKUZJCWEQUCJH-BVUBDWEXSA-N 0 3 304.459 3.007 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CN[C@@H](C)c1cccc(F)c1 ZINC001483048504 1087287911 /nfs/dbraw/zinc/28/79/11/1087287911.db2.gz TXXQUCPUUFRFMZ-PTZVLDCSSA-N 0 3 316.420 3.342 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC(C2CC2)C2CC2)CC1 ZINC001168354679 1087307838 /nfs/dbraw/zinc/30/78/38/1087307838.db2.gz LOXYYZPKMHBLBC-UHFFFAOYSA-N 0 3 324.896 3.441 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)[C@H]1C ZINC001088712961 1087313327 /nfs/dbraw/zinc/31/33/27/1087313327.db2.gz PIZCIYPEIBQMRF-APWZRJJASA-N 0 3 323.440 3.246 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001483064119 1087323730 /nfs/dbraw/zinc/32/37/30/1087323730.db2.gz HFFODMXLDSUBKM-FPLPWBNLSA-N 0 3 315.461 3.063 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CC(C)(C)C(F)(F)F)C2)C1 ZINC001506865763 1087343316 /nfs/dbraw/zinc/34/33/16/1087343316.db2.gz MGPMHUUGXJSSQG-UHFFFAOYSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)[C@H]1C ZINC001088781379 1087351902 /nfs/dbraw/zinc/35/19/02/1087351902.db2.gz KFHKYTDVJPSVAE-KOLCDFICSA-N 0 3 316.232 3.090 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001483126853 1087387255 /nfs/dbraw/zinc/38/72/55/1087387255.db2.gz XHIBBCZSNJNNFA-KGLIPLIRSA-N 0 3 306.837 3.155 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001168366726 1087406611 /nfs/dbraw/zinc/40/66/11/1087406611.db2.gz MLOIFXUUZBXHSV-UYSNPLJNSA-N 0 3 324.896 3.441 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1C ZINC001088833748 1087409741 /nfs/dbraw/zinc/40/97/41/1087409741.db2.gz HUCNRYAUWOWXEX-AEFFLSMTSA-N 0 3 300.446 3.001 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@H](C)c1cccc(OC)c1 ZINC001483320909 1087468557 /nfs/dbraw/zinc/46/85/57/1087468557.db2.gz RZQSOOYSOBTQLX-HUUCEWRRSA-N 0 3 304.434 3.159 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001483395713 1087490519 /nfs/dbraw/zinc/49/05/19/1087490519.db2.gz VSILQELREWKZNW-BPQIPLTHSA-N 0 3 300.446 3.029 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001483395714 1087490775 /nfs/dbraw/zinc/49/07/75/1087490775.db2.gz VSILQELREWKZNW-RYQLBKOJSA-N 0 3 300.446 3.029 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCc2cc(C)no2)CCCC1 ZINC001483512851 1087519408 /nfs/dbraw/zinc/51/94/08/1087519408.db2.gz IDMPXBGECUEJOC-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001483562851 1087525975 /nfs/dbraw/zinc/52/59/75/1087525975.db2.gz MAJQOFXHIJMZKZ-KRWDZBQOSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001103332154 1087556166 /nfs/dbraw/zinc/55/61/66/1087556166.db2.gz ILAYXQFJJCXYEQ-UNEWFSDZSA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120429976 1087578592 /nfs/dbraw/zinc/57/85/92/1087578592.db2.gz FSAFAMQEVADKMO-CVEARBPZSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001099021954 1087589807 /nfs/dbraw/zinc/58/98/07/1087589807.db2.gz FNCNJACJAOLBNR-HUUCEWRRSA-N 0 3 312.523 3.311 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)SC ZINC001099021951 1087589876 /nfs/dbraw/zinc/58/98/76/1087589876.db2.gz FNCNJACJAOLBNR-GJZGRUSLSA-N 0 3 312.523 3.311 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001483642759 1087597570 /nfs/dbraw/zinc/59/75/70/1087597570.db2.gz NQLQCSPENDAENJ-QZTJIDSGSA-N 0 3 312.457 3.440 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@H]1C ZINC001088913397 1087603345 /nfs/dbraw/zinc/60/33/45/1087603345.db2.gz UBKRTGKBPVUEHT-LULLPPNCSA-N 0 3 312.457 3.254 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)[C@H]1C ZINC001088975943 1087613432 /nfs/dbraw/zinc/61/34/32/1087613432.db2.gz YDLBBGFSWHBYKV-QAPCUYQASA-N 0 3 323.440 3.450 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC001483667872 1087615497 /nfs/dbraw/zinc/61/54/97/1087615497.db2.gz ALWMTGXUCFLTKR-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)[C@H]1C ZINC001089039296 1087626012 /nfs/dbraw/zinc/62/60/12/1087626012.db2.gz GAPXZPOGCRMUHB-BEFAXECRSA-N 0 3 323.440 3.450 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc3ccccc32)[C@H]1C ZINC001089057916 1087629171 /nfs/dbraw/zinc/62/91/71/1087629171.db2.gz SBXCBNWNWJNNCH-KDOFPFPSSA-N 0 3 309.413 3.004 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)[C@H]1C ZINC001089068426 1087630518 /nfs/dbraw/zinc/63/05/18/1087630518.db2.gz CAOOIXXGIVPGDS-ZIFCJYIRSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ccsc1 ZINC001099107340 1087646153 /nfs/dbraw/zinc/64/61/53/1087646153.db2.gz XWIVIXOEERLLHG-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001483687390 1087653619 /nfs/dbraw/zinc/65/36/19/1087653619.db2.gz HBXVPWHGTCCEKJ-CRAIPNDOSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN(Cc3ccccc3CC)CC2)C1=O ZINC001272420157 1087696977 /nfs/dbraw/zinc/69/69/77/1087696977.db2.gz CRMUNPFVWIYAGZ-NRFANRHFSA-N 0 3 324.468 3.087 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H](C)OC ZINC001233809307 1087697981 /nfs/dbraw/zinc/69/79/81/1087697981.db2.gz IELQMIKACMLXAQ-IAGOWNOFSA-N 0 3 312.498 3.305 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001158246626 1087744751 /nfs/dbraw/zinc/74/47/51/1087744751.db2.gz WQYHYBSJTVOLFS-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)(C)CCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272495791 1087750658 /nfs/dbraw/zinc/75/06/58/1087750658.db2.gz QPFLGSRLABOIRX-GOSISDBHSA-N 0 3 305.466 3.183 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)CCOC(C)C ZINC001158369163 1087793754 /nfs/dbraw/zinc/79/37/54/1087793754.db2.gz CPYCWDMWMWOBJW-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCCC1(F)F ZINC001158377525 1087800886 /nfs/dbraw/zinc/80/08/86/1087800886.db2.gz OEQDTHBKSIVMNN-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2sccc2C)CC(C)(C)C1 ZINC001089303976 1087805803 /nfs/dbraw/zinc/80/58/03/1087805803.db2.gz WTNPRXKGFVTLNQ-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN CN1CCC(N(c2nccc(Cl)c2C#N)C2CCCC2)CC1 ZINC001158487757 1087861072 /nfs/dbraw/zinc/86/10/72/1087861072.db2.gz ATFWMBYOPHBQNE-UHFFFAOYSA-N 0 3 318.852 3.450 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)c1cccnc1 ZINC001158553884 1087908782 /nfs/dbraw/zinc/90/87/82/1087908782.db2.gz BASRRFWZVGDBHK-SJLPKXTDSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1scc(C)c1Cl ZINC001158725798 1087994378 /nfs/dbraw/zinc/99/43/78/1087994378.db2.gz FCDFNNMCCGGPHG-UHFFFAOYSA-N 0 3 307.246 3.172 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc2c1CCCC2 ZINC001158740421 1088001950 /nfs/dbraw/zinc/00/19/50/1088001950.db2.gz CFAAGTCDDPMCEP-UHFFFAOYSA-N 0 3 306.837 3.027 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCNCc1nc(C)c(C)s1 ZINC001158746843 1088003660 /nfs/dbraw/zinc/00/36/60/1088003660.db2.gz IXILXCYWRULXCG-UHFFFAOYSA-N 0 3 321.490 3.124 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCNCC=C(Cl)Cl ZINC001158746940 1088005089 /nfs/dbraw/zinc/00/50/89/1088005089.db2.gz NQAXPGKUKMHGIE-UHFFFAOYSA-N 0 3 305.249 3.170 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(CF)cc1 ZINC001158927774 1088105943 /nfs/dbraw/zinc/10/59/43/1088105943.db2.gz FAALXWRASZWAGQ-QGZVFWFLSA-N 0 3 304.409 3.269 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1nc(C(C)(C)C)cs1 ZINC001159032354 1088152806 /nfs/dbraw/zinc/15/28/06/1088152806.db2.gz BCNYUEWXBRTJSO-UHFFFAOYSA-N 0 3 323.506 3.393 20 30 DGEDHN CN(Cc1ccc(NCc2ccc(C#N)c(F)c2)nc1)C1CC1 ZINC001159086812 1088174142 /nfs/dbraw/zinc/17/41/42/1088174142.db2.gz IDTBFPNDHRTQSG-UHFFFAOYSA-N 0 3 310.376 3.299 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001153181188 1088179283 /nfs/dbraw/zinc/17/92/83/1088179283.db2.gz QMYBEMAAVBCMOC-DDITZMBXSA-N 0 3 313.445 3.241 20 30 DGEDHN CCN(Cc1cc(F)ccc1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207381 1088187296 /nfs/dbraw/zinc/18/72/96/1088187296.db2.gz HHPJYXQUSQFTKB-MRXNPFEDSA-N 0 3 318.436 3.120 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1scc(C)c1Cl ZINC001153560103 1088280986 /nfs/dbraw/zinc/28/09/86/1088280986.db2.gz AOVPLAZNIAPORG-GFCCVEGCSA-N 0 3 312.866 3.173 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCc1ccccc1Cl ZINC001153748691 1088344270 /nfs/dbraw/zinc/34/42/70/1088344270.db2.gz AVQZLJDUTCECNT-OAHLLOKOSA-N 0 3 320.864 3.123 20 30 DGEDHN C=CCC[C@H](C(=O)NCCNCc1cccnc1)c1ccccc1 ZINC001153818167 1088371021 /nfs/dbraw/zinc/37/10/21/1088371021.db2.gz YTXMQNGDUCALJX-IBGZPJMESA-N 0 3 323.440 3.037 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)COCCCCCCCC ZINC001153828292 1088377575 /nfs/dbraw/zinc/37/75/75/1088377575.db2.gz JYXQDNKWKOTMTC-GOSISDBHSA-N 0 3 324.509 3.213 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(Cl)cc1 ZINC001123336599 1088418128 /nfs/dbraw/zinc/41/81/28/1088418128.db2.gz JAYVXXJJUOQGNJ-AWEZNQCLSA-N 0 3 301.777 3.365 20 30 DGEDHN C/C=C(\C)C(=O)NCCC1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC001159760273 1088474719 /nfs/dbraw/zinc/47/47/19/1088474719.db2.gz NEWUFQHFBRJTMV-HQYXKAPLSA-N 0 3 323.440 3.163 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)o2)CC(C)(C)C1 ZINC001089359885 1088494097 /nfs/dbraw/zinc/49/40/97/1088494097.db2.gz JLIYCUJFSBVINI-MRXNPFEDSA-N 0 3 316.445 3.140 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1sc2ccccc2c1C ZINC001154229581 1088526889 /nfs/dbraw/zinc/52/68/89/1088526889.db2.gz UVIADAQVYMVTQF-CYBMUJFWSA-N 0 3 314.454 3.283 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(C)c1Cl ZINC001154284866 1088552144 /nfs/dbraw/zinc/55/21/44/1088552144.db2.gz VDGDHYSSALLVAR-OAHLLOKOSA-N 0 3 320.864 3.041 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)CC(C)(C)C1 ZINC001089416768 1088582601 /nfs/dbraw/zinc/58/26/01/1088582601.db2.gz PKAMVIWLEKHUIH-MSOLQXFVSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)ccc1C1CC1 ZINC001154452222 1088611224 /nfs/dbraw/zinc/61/12/24/1088611224.db2.gz DUMABGKZNMUNEA-MRXNPFEDSA-N 0 3 312.457 3.336 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccoc2C2CC2)CC(C)(C)C1 ZINC001089477010 1088668585 /nfs/dbraw/zinc/66/85/85/1088668585.db2.gz JAKFNSWNUKSJMD-OAHLLOKOSA-N 0 3 314.429 3.011 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2occc2Cl)CC(C)(C)C1 ZINC001089479951 1088674338 /nfs/dbraw/zinc/67/43/38/1088674338.db2.gz LYPXJECUKYTNAD-ZDUSSCGKSA-N 0 3 322.836 3.177 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000248337445 1088683293 /nfs/dbraw/zinc/68/32/93/1088683293.db2.gz HLUGSCJDFSEQNS-ZACQAIPSSA-N 0 3 313.445 3.361 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)c2cccs2)CC(C)(C)C1 ZINC001089491173 1088684942 /nfs/dbraw/zinc/68/49/42/1088684942.db2.gz JLZAELWSJHPNCT-HUUCEWRRSA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)CC(C)(C)C1 ZINC001089494570 1088690527 /nfs/dbraw/zinc/69/05/27/1088690527.db2.gz OBPDXSQJFMXHMT-SFHVURJKSA-N 0 3 310.441 3.183 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccsc2Cl)CC(C)(C)C1 ZINC001089510291 1088706899 /nfs/dbraw/zinc/70/68/99/1088706899.db2.gz QFTRZZYZERKHKJ-GFCCVEGCSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccoc2CCC)CC(C)(C)C1 ZINC001089541811 1088724483 /nfs/dbraw/zinc/72/44/83/1088724483.db2.gz OBTPVJGPQYQHGE-HNNXBMFYSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccoc2CCC)CC(C)(C)C1 ZINC001089541813 1088724522 /nfs/dbraw/zinc/72/45/22/1088724522.db2.gz OBTPVJGPQYQHGE-OAHLLOKOSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)CC(C)(C)C1 ZINC001089551278 1088736717 /nfs/dbraw/zinc/73/67/17/1088736717.db2.gz FSUGVQLDLCOHJU-GFCCVEGCSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)CC(C)(C)C1 ZINC001089551249 1088737785 /nfs/dbraw/zinc/73/77/85/1088737785.db2.gz FGLOQHPJSKHVGQ-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3c2CCC3)CC(C)(C)C1 ZINC001089567297 1088755378 /nfs/dbraw/zinc/75/53/78/1088755378.db2.gz XUKBJUVTISURDD-QGZVFWFLSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001089607556 1088806885 /nfs/dbraw/zinc/80/68/85/1088806885.db2.gz MVRFJDZNWKXWCX-ZDUSSCGKSA-N 0 3 322.836 3.177 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC001272675814 1088826129 /nfs/dbraw/zinc/82/61/29/1088826129.db2.gz RWFOTCLUTVUZIQ-OALUTQOASA-N 0 3 312.457 3.050 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001089631680 1088853402 /nfs/dbraw/zinc/85/34/02/1088853402.db2.gz OIAWTXNWILMWCY-MRXNPFEDSA-N 0 3 304.434 3.385 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001089634601 1088858737 /nfs/dbraw/zinc/85/87/37/1088858737.db2.gz CPJSYIHQZVFZTJ-HNNXBMFYSA-N 0 3 303.450 3.120 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccsc1C ZINC001089635561 1088860466 /nfs/dbraw/zinc/86/04/66/1088860466.db2.gz UDAMQANONWECCW-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001089638485 1088869192 /nfs/dbraw/zinc/86/91/92/1088869192.db2.gz XVGWVYFQWFQSFY-MRXNPFEDSA-N 0 3 316.445 3.140 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cn(C)c3ccccc23)CC1 ZINC001160612806 1088894467 /nfs/dbraw/zinc/89/44/67/1088894467.db2.gz AWSWRMQPHYQKHX-UHFFFAOYSA-N 0 3 323.440 3.116 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc3cccnc32)CC1 ZINC001160613124 1088895408 /nfs/dbraw/zinc/89/54/08/1088895408.db2.gz ILCHLHOGVSBMNO-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001483815229 1088923373 /nfs/dbraw/zinc/92/33/73/1088923373.db2.gz OMKPHBOHXXKKDD-ZDUSSCGKSA-N 0 3 312.885 3.488 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCCCC(C)C)C2)C1 ZINC001483849470 1088951162 /nfs/dbraw/zinc/95/11/62/1088951162.db2.gz WKXPUPMEAJQMSF-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cc(C(=O)OC(C)(C)C)ccn1 ZINC001160953188 1089037255 /nfs/dbraw/zinc/03/72/55/1089037255.db2.gz VMXIYHMXGONVNN-HNNXBMFYSA-N 0 3 317.433 3.099 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001089659357 1089037105 /nfs/dbraw/zinc/03/71/05/1089037105.db2.gz YJZCYWLVSLURBZ-OHTSDLOESA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cnc2ccc(Cl)cc2n1 ZINC001160952904 1089038164 /nfs/dbraw/zinc/03/81/64/1089038164.db2.gz HTFJICSLUXRFHX-ZDUSSCGKSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cnc2c(Cl)cccc2n1 ZINC001160953120 1089039452 /nfs/dbraw/zinc/03/94/52/1089039452.db2.gz RPTXWHDHAXZKOV-LBPRGKRZSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ncc2c(n1)-c1ccccc1CC2 ZINC001160953771 1089041894 /nfs/dbraw/zinc/04/18/94/1089041894.db2.gz JPRYIZWDZRLSBS-KRWDZBQOSA-N 0 3 320.440 3.305 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC001483973131 1089059639 /nfs/dbraw/zinc/05/96/39/1089059639.db2.gz RROBWSAMRKRVIF-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2coc(C(F)F)c2)CC1 ZINC001161021461 1089079405 /nfs/dbraw/zinc/07/94/05/1089079405.db2.gz PLWPLWQXNZNLAZ-UHFFFAOYSA-N 0 3 310.344 3.155 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001483994926 1089082838 /nfs/dbraw/zinc/08/28/38/1089082838.db2.gz FSDBMJLHXQADAY-HLEHRXSFSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)cc1Cl ZINC001155394761 1089090788 /nfs/dbraw/zinc/09/07/88/1089090788.db2.gz UFEDRTCZXKHLLA-CQSZACIVSA-N 0 3 306.837 3.112 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C(CCC)CCC)CC1 ZINC001161045571 1089091204 /nfs/dbraw/zinc/09/12/04/1089091204.db2.gz SYBRTOMRPNNNFD-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC001484035600 1089117413 /nfs/dbraw/zinc/11/74/13/1089117413.db2.gz WLDGVGWGLQFQBY-GXTWGEPZSA-N 0 3 319.276 3.117 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001484065150 1089152822 /nfs/dbraw/zinc/15/28/22/1089152822.db2.gz KGMFILISBZPHDP-KBXCAEBGSA-N 0 3 304.409 3.086 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001161208033 1089156402 /nfs/dbraw/zinc/15/64/02/1089156402.db2.gz YNNRQCXUKNGLAZ-HNNXBMFYSA-N 0 3 316.470 3.013 20 30 DGEDHN C=CCCC(=O)NCCCNCc1nc(C(C)(C)C)cs1 ZINC001155594069 1089178640 /nfs/dbraw/zinc/17/86/40/1089178640.db2.gz YIOFOIRTWZSUQN-UHFFFAOYSA-N 0 3 309.479 3.003 20 30 DGEDHN CCCC[C@](C)(F)C(=O)NCCCNCc1ccccc1C#N ZINC001161289301 1089179106 /nfs/dbraw/zinc/17/91/06/1089179106.db2.gz PJGNEPJHWWQJRQ-SFHVURJKSA-N 0 3 319.424 3.073 20 30 DGEDHN C=Cc1ccc(C(=O)NCCC2=CCN(CC#CC)CC2)cc1 ZINC001161300852 1089180162 /nfs/dbraw/zinc/18/01/62/1089180162.db2.gz HASFBXVTVRQREM-UHFFFAOYSA-N 0 3 308.425 3.105 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@](C)(CNCc2nc(C)cs2)C1 ZINC001484097168 1089185227 /nfs/dbraw/zinc/18/52/27/1089185227.db2.gz SKQCSFSJSKQOPD-KRWDZBQOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001161427344 1089237478 /nfs/dbraw/zinc/23/74/78/1089237478.db2.gz JBFRWVHZOZPYLA-AWEZNQCLSA-N 0 3 317.433 3.126 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001161444738 1089246865 /nfs/dbraw/zinc/24/68/65/1089246865.db2.gz JFRRKZICUNLXCA-SJORKVTESA-N 0 3 318.505 3.466 20 30 DGEDHN CCN1CCCC[C@@H]1c1ccc(NC2(C#N)CCOCC2)nc1 ZINC001161485101 1089258930 /nfs/dbraw/zinc/25/89/30/1089258930.db2.gz ZPMAVSFIXRBMMO-MRXNPFEDSA-N 0 3 314.433 3.113 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001484167370 1089260998 /nfs/dbraw/zinc/26/09/98/1089260998.db2.gz DQXDTDPIPXWWFM-VQIMIIECSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714262 1089285843 /nfs/dbraw/zinc/28/58/43/1089285843.db2.gz IGFDKFRGFJWZBP-KRWDZBQOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001089718266 1089292347 /nfs/dbraw/zinc/29/23/47/1089292347.db2.gz MUVARXBXWKPCFJ-CVEARBPZSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C=C2CCCCC2)cc1 ZINC001272681977 1089369636 /nfs/dbraw/zinc/36/96/36/1089369636.db2.gz DRYHXHPOODFDMP-INIZCTEOSA-N 0 3 310.441 3.477 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c(F)cccc12 ZINC001156105106 1089389995 /nfs/dbraw/zinc/38/99/95/1089389995.db2.gz YFLQCNPVGZXFRQ-AWEZNQCLSA-N 0 3 312.388 3.359 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(C)cc2C)CC1 ZINC001161809040 1089414111 /nfs/dbraw/zinc/41/41/11/1089414111.db2.gz QHDVUUQYPIHMRQ-UHFFFAOYSA-N 0 3 310.441 3.079 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC=C)CCCC1 ZINC001484467548 1089436246 /nfs/dbraw/zinc/43/62/46/1089436246.db2.gz LARXXELZUPUKSL-IAGOWNOFSA-N 0 3 302.462 3.374 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC001484503300 1089445226 /nfs/dbraw/zinc/44/52/26/1089445226.db2.gz JBMIXZISGGABRI-CYBMUJFWSA-N 0 3 310.800 3.020 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)c2occc21 ZINC001156341830 1089484050 /nfs/dbraw/zinc/48/40/50/1089484050.db2.gz NGPZFZJECSFHPR-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cncs1 ZINC001484555121 1089491510 /nfs/dbraw/zinc/49/15/10/1089491510.db2.gz HIMFEMKGMXHAHZ-UHFFFAOYSA-N 0 3 315.442 3.081 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(F)ccc2C)cc1 ZINC001484561900 1089497221 /nfs/dbraw/zinc/49/72/21/1089497221.db2.gz SJISXQSXZJACMZ-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001484556096 1089498458 /nfs/dbraw/zinc/49/84/58/1089498458.db2.gz JSSLVRBIAPHDFJ-PMACEKPBSA-N 0 3 324.468 3.194 20 30 DGEDHN CC(C)CCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001484623448 1089547180 /nfs/dbraw/zinc/54/71/80/1089547180.db2.gz NYIYGZJACSQQAU-UHFFFAOYSA-N 0 3 319.474 3.184 20 30 DGEDHN N#Cc1cnc(NC[C@@H](c2ccccc2)N2CCCC2)c(C#N)c1 ZINC001156528654 1089563470 /nfs/dbraw/zinc/56/34/70/1089563470.db2.gz BRULEDZZZQBDJE-SFHVURJKSA-N 0 3 317.396 3.074 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001212338444 1089585391 /nfs/dbraw/zinc/58/53/91/1089585391.db2.gz KXJWODAYCNLCEC-VEUZHWNKSA-N 0 3 322.493 3.151 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001484718501 1089611013 /nfs/dbraw/zinc/61/10/13/1089611013.db2.gz QBKBMKRWUGJLBW-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)occ1C(F)(F)F ZINC001156672161 1089636270 /nfs/dbraw/zinc/63/62/70/1089636270.db2.gz IKWLPFHMVZOMPG-UHFFFAOYSA-N 0 3 318.339 3.187 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sccc1C1CC1 ZINC001156746767 1089674865 /nfs/dbraw/zinc/67/48/65/1089674865.db2.gz UXIRTUSLROESDB-CYBMUJFWSA-N 0 3 304.459 3.089 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1oc2ccccc2c1C ZINC001156767151 1089685869 /nfs/dbraw/zinc/68/58/69/1089685869.db2.gz PVAXTVIJUUAOII-CQSZACIVSA-N 0 3 312.413 3.205 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CCC)C(C)C)C2 ZINC001484830479 1089695487 /nfs/dbraw/zinc/69/54/87/1089695487.db2.gz LVKRQLMLEYLIFW-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CCC)C(C)C)C2 ZINC001484830481 1089696096 /nfs/dbraw/zinc/69/60/96/1089696096.db2.gz LVKRQLMLEYLIFW-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCCCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001156811852 1089704056 /nfs/dbraw/zinc/70/40/56/1089704056.db2.gz NPNKBSXHYHLCDR-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001484823559 1089704046 /nfs/dbraw/zinc/70/40/46/1089704046.db2.gz UWALCWAFMMMAGT-DNVCBOLYSA-N 0 3 312.457 3.152 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1cc2ccccc2s1 ZINC001162422049 1089728114 /nfs/dbraw/zinc/72/81/14/1089728114.db2.gz QKWLKPWVUVFSJH-UHFFFAOYSA-N 0 3 322.861 3.292 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCC2CCCC2)C[C@H]1C ZINC001484988451 1089808626 /nfs/dbraw/zinc/80/86/26/1089808626.db2.gz XDGWGBNLMHHGQO-AEFFLSMTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001484977544 1089812282 /nfs/dbraw/zinc/81/22/82/1089812282.db2.gz GZFXZKCGYDCHKK-CHWSQXEVSA-N 0 3 306.372 3.264 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C(CC)CC ZINC001162710596 1089900931 /nfs/dbraw/zinc/90/09/31/1089900931.db2.gz YNDLTXIOSOKWJU-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)CCCCC ZINC001162714510 1089902750 /nfs/dbraw/zinc/90/27/50/1089902750.db2.gz BHWGGDPYRULHBL-UHFFFAOYSA-N 0 3 314.473 3.251 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(OCCC)c1 ZINC001485058739 1089911441 /nfs/dbraw/zinc/91/14/41/1089911441.db2.gz UNBLOXLTHWCJMP-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(C(F)(F)F)CCCC1 ZINC001485079533 1089919203 /nfs/dbraw/zinc/91/92/03/1089919203.db2.gz KCUOXVRCQNYUAC-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN Cc1cc(Cl)c(C#N)c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001162759045 1089930599 /nfs/dbraw/zinc/93/05/99/1089930599.db2.gz OALWCMHWYQRZTL-SNVBAGLBSA-N 0 3 311.776 3.274 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H](C)CCCC ZINC001162797596 1089960406 /nfs/dbraw/zinc/96/04/06/1089960406.db2.gz DKVGLJZAGWMBFV-GOSISDBHSA-N 0 3 314.473 3.107 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001485181080 1090007844 /nfs/dbraw/zinc/00/78/44/1090007844.db2.gz JGBHXXQUDVSHST-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001157567523 1090030041 /nfs/dbraw/zinc/03/00/41/1090030041.db2.gz AQGBROPEDQJVNM-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001157567523 1090030053 /nfs/dbraw/zinc/03/00/53/1090030053.db2.gz AQGBROPEDQJVNM-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC(CC)CC ZINC001162964043 1090038426 /nfs/dbraw/zinc/03/84/26/1090038426.db2.gz RGEPCUSCHVCKJW-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1cnc(C)o1 ZINC001485259555 1090054664 /nfs/dbraw/zinc/05/46/64/1090054664.db2.gz XPJXSLWKFOOUSV-SFHVURJKSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001157674542 1090066606 /nfs/dbraw/zinc/06/66/06/1090066606.db2.gz GZRULAAAILWRRS-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN C[C@@H](CNC(=O)/C=C/C(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001485287452 1090081455 /nfs/dbraw/zinc/08/14/55/1090081455.db2.gz RDAQMLHUKGKRSJ-FEAKQIBJSA-N 0 3 313.445 3.097 20 30 DGEDHN C[C@@H](NCCCNC(=O)C#CC(C)(C)C)c1cc(F)ccc1F ZINC001157736863 1090092671 /nfs/dbraw/zinc/09/26/71/1090092671.db2.gz OEBHQHCNWZQZFJ-CYBMUJFWSA-N 0 3 322.399 3.171 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001485333618 1090106933 /nfs/dbraw/zinc/10/69/33/1090106933.db2.gz FXIWDYDUMGHOJH-CQSZACIVSA-N 0 3 308.853 3.204 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)ccc2F)cc1 ZINC001272699544 1090144734 /nfs/dbraw/zinc/14/47/34/1090144734.db2.gz BFDPJBJXIAVOLA-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CCCC)CNCc2cccnc2)C1 ZINC001485468267 1090168935 /nfs/dbraw/zinc/16/89/35/1090168935.db2.gz JJIVJSSJMHJZDT-KRWDZBQOSA-N 0 3 315.461 3.203 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001485502748 1090195321 /nfs/dbraw/zinc/19/53/21/1090195321.db2.gz KTGTXPYPTLZDER-INIZCTEOSA-N 0 3 324.468 3.160 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001485528796 1090198014 /nfs/dbraw/zinc/19/80/14/1090198014.db2.gz MBKLKZNVDCPSPX-INIZCTEOSA-N 0 3 314.473 3.268 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CCC2CCCCCC2)C1 ZINC001485517631 1090199159 /nfs/dbraw/zinc/19/91/59/1090199159.db2.gz WIZLPUQXORNGQM-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c(C)oc(C)c1C ZINC001158199507 1090199346 /nfs/dbraw/zinc/19/93/46/1090199346.db2.gz BRBOMDRTJIZYNW-MRXNPFEDSA-N 0 3 304.434 3.317 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001485541201 1090204154 /nfs/dbraw/zinc/20/41/54/1090204154.db2.gz YHWKDEBGBNCZBJ-JKSUJKDBSA-N 0 3 300.446 3.111 20 30 DGEDHN CC(C)N(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C(C)C ZINC001163576590 1090214788 /nfs/dbraw/zinc/21/47/88/1090214788.db2.gz KJGINGBAJMQGPS-ZDUSSCGKSA-N 0 3 318.421 3.049 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2oncc2C)C(C)(C)C1 ZINC001485579541 1090216878 /nfs/dbraw/zinc/21/68/78/1090216878.db2.gz PJMWNHYRQQHZRU-HNNXBMFYSA-N 0 3 319.449 3.170 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)CCC)CC1 ZINC001163741162 1090246495 /nfs/dbraw/zinc/24/64/95/1090246495.db2.gz AGOVGSJLXXZXFE-CYBMUJFWSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1nsc2ccccc12 ZINC001163952880 1090296612 /nfs/dbraw/zinc/29/66/12/1090296612.db2.gz CLVYOKFCUZADPJ-UHFFFAOYSA-N 0 3 317.458 3.104 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(CC)CC1 ZINC001089861528 1090312691 /nfs/dbraw/zinc/31/26/91/1090312691.db2.gz IGQMOWOJVNBUIP-FZKCQIBNSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001164222827 1090377629 /nfs/dbraw/zinc/37/76/29/1090377629.db2.gz NHFAHEWMUXYZKC-CHWSQXEVSA-N 0 3 310.388 3.019 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCC)CC2(CCOCC2)C1 ZINC001099564309 1090427995 /nfs/dbraw/zinc/42/79/95/1090427995.db2.gz VXHPZPIGUYHHPO-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706518 1090489489 /nfs/dbraw/zinc/48/94/89/1090489489.db2.gz RNECOGAGWTYJLU-VQIMIIECSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC1(C(=O)NCCCNCc2cccc(Cl)n2)CC1 ZINC001165914011 1090560538 /nfs/dbraw/zinc/56/05/38/1090560538.db2.gz SZSXLLYKVAYPNN-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001107965551 1090572995 /nfs/dbraw/zinc/57/29/95/1090572995.db2.gz ZHQPWBWUKUMTRM-LPHOPBHVSA-N 0 3 322.493 3.008 20 30 DGEDHN COCC#CCN[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC001168604183 1090600704 /nfs/dbraw/zinc/60/07/04/1090600704.db2.gz LDDWLRDBDUQQMB-INIZCTEOSA-N 0 3 319.445 3.421 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C(F)F)C12CCC2 ZINC001203383261 1090628574 /nfs/dbraw/zinc/62/85/74/1090628574.db2.gz DQWODPWVHJUKJQ-QWRGUYRKSA-N 0 3 320.811 3.047 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001166882460 1090672011 /nfs/dbraw/zinc/67/20/11/1090672011.db2.gz MPHRYRGMHWFGOI-UKRRQHHQSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)s1 ZINC001272934506 1090704484 /nfs/dbraw/zinc/70/44/84/1090704484.db2.gz RMDWDIQURMNPBA-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C)s2)C1=O ZINC001272935853 1090706198 /nfs/dbraw/zinc/70/61/98/1090706198.db2.gz DMLSVKFCIYLWLA-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1 ZINC001485920701 1090728166 /nfs/dbraw/zinc/72/81/66/1090728166.db2.gz WAKILCPVVWAKFM-CXAGYDPISA-N 0 3 323.868 3.274 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1 ZINC001485920705 1090728217 /nfs/dbraw/zinc/72/82/17/1090728217.db2.gz WAKILCPVVWAKFM-DYVFJYSZSA-N 0 3 323.868 3.274 20 30 DGEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CCCC1CC1 ZINC001486083391 1090743857 /nfs/dbraw/zinc/74/38/57/1090743857.db2.gz CUMDRILOVJGOSA-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)[C@H]1C ZINC001486085326 1090744201 /nfs/dbraw/zinc/74/42/01/1090744201.db2.gz QCCMXVNEPDYJNU-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2c3ccccc3oc2CC)C1 ZINC001486133616 1090758590 /nfs/dbraw/zinc/75/85/90/1090758590.db2.gz FEUCBZYJMUAFDF-HUUCEWRRSA-N 0 3 324.424 3.211 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001203631148 1090769537 /nfs/dbraw/zinc/76/95/37/1090769537.db2.gz KVTGESFGKSFYLY-ZWKOTPCHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1C ZINC001486170535 1090773205 /nfs/dbraw/zinc/77/32/05/1090773205.db2.gz JAZVRUGNEDYWHZ-JKSUJKDBSA-N 0 3 322.493 3.317 20 30 DGEDHN CCCc1noc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC001203764563 1090800695 /nfs/dbraw/zinc/80/06/95/1090800695.db2.gz UXRYHPTYBYOCLN-INIZCTEOSA-N 0 3 310.401 3.273 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2cc(C)cn2c1)C(C)C ZINC001486369422 1090811148 /nfs/dbraw/zinc/81/11/48/1090811148.db2.gz HHEFVMNRXGIAMD-UHFFFAOYSA-N 0 3 313.445 3.216 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)C(C)C ZINC001486373423 1090812675 /nfs/dbraw/zinc/81/26/75/1090812675.db2.gz TUTFDTRBJSBCPC-UHFFFAOYSA-N 0 3 318.248 3.290 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2ccccc2n1C)C(C)C ZINC001486374801 1090813318 /nfs/dbraw/zinc/81/33/18/1090813318.db2.gz JVAQYWIALLEVAI-UHFFFAOYSA-N 0 3 313.445 3.147 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001486382871 1090818438 /nfs/dbraw/zinc/81/84/38/1090818438.db2.gz HDSNNDQXONLRQS-HNNXBMFYSA-N 0 3 319.474 3.206 20 30 DGEDHN CC(C)=CC(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001486382872 1090818469 /nfs/dbraw/zinc/81/84/69/1090818469.db2.gz HDSNNDQXONLRQS-OAHLLOKOSA-N 0 3 319.474 3.206 20 30 DGEDHN CC(C)CC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001486383960 1090819509 /nfs/dbraw/zinc/81/95/09/1090819509.db2.gz QJQYMIVNDXHVGP-GOSISDBHSA-N 0 3 314.473 3.205 20 30 DGEDHN CCCCC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001486385813 1090819716 /nfs/dbraw/zinc/81/97/16/1090819716.db2.gz KHJZLQFURLOIPH-GOSISDBHSA-N 0 3 314.473 3.349 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001486449702 1090839113 /nfs/dbraw/zinc/83/91/13/1090839113.db2.gz MSVNTVNAJUTMRI-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCC2(C)CC2)CC[C@H]1C(F)(F)F ZINC001486452538 1090843511 /nfs/dbraw/zinc/84/35/11/1090843511.db2.gz KCZRDVBIFSXDTL-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001486473810 1090848759 /nfs/dbraw/zinc/84/87/59/1090848759.db2.gz FHVYLGFRBXSTQF-HIFPTAJRSA-N 0 3 319.276 3.487 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@H](C)c3ccccc3)CC2)CC1 ZINC001486490673 1090855626 /nfs/dbraw/zinc/85/56/26/1090855626.db2.gz ZDNXWHFPWTWCJY-KRWDZBQOSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2(CCC)CC2)c(F)c1 ZINC001486525109 1090868516 /nfs/dbraw/zinc/86/85/16/1090868516.db2.gz WXMGOSFJDMTWHF-UHFFFAOYSA-N 0 3 304.409 3.298 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cccc3ccccc32)C1 ZINC001276452538 1090943575 /nfs/dbraw/zinc/94/35/75/1090943575.db2.gz CFTQIBBRMOWADK-MRXNPFEDSA-N 0 3 322.452 3.395 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(N4CCCC4)cc3)CCC2S1 ZINC001204327786 1090950180 /nfs/dbraw/zinc/95/01/80/1090950180.db2.gz ILHIAXGLNSADCQ-QGZVFWFLSA-N 0 3 314.454 3.061 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]2S1 ZINC001204327786 1090950182 /nfs/dbraw/zinc/95/01/82/1090950182.db2.gz ILHIAXGLNSADCQ-QGZVFWFLSA-N 0 3 314.454 3.061 20 30 DGEDHN C=C(C)CCC(=O)NCCNCc1ccccc1OC(C)C ZINC001128405077 1090955874 /nfs/dbraw/zinc/95/58/74/1090955874.db2.gz NCYLJUJSQAOWAV-UHFFFAOYSA-N 0 3 304.434 3.036 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001272994094 1090972307 /nfs/dbraw/zinc/97/23/07/1090972307.db2.gz WUKFUFZVPBRMNM-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C[C@H](C(=O)N[C@H](C)C1CN(CC=C(C)C)C1)c1ccccc1 ZINC001276467451 1090976547 /nfs/dbraw/zinc/97/65/47/1090976547.db2.gz BCLVMKRVZGVYBI-APWZRJJASA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc(F)c1C ZINC001273005713 1090984012 /nfs/dbraw/zinc/98/40/12/1090984012.db2.gz LUKALJBDHAWDAO-IBGZPJMESA-N 0 3 316.420 3.277 20 30 DGEDHN CCCCC(=O)N1CCC(CNCc2ccccc2C#N)CC1 ZINC001204517946 1090989206 /nfs/dbraw/zinc/98/92/06/1090989206.db2.gz UAZVYWSIHPONKR-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001204526779 1090991639 /nfs/dbraw/zinc/99/16/39/1090991639.db2.gz KWFFMOJCPYBUTC-KRWDZBQOSA-N 0 3 302.418 3.180 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2CCc2ccc(F)cc2)C1=O ZINC001273041290 1091013697 /nfs/dbraw/zinc/01/36/97/1091013697.db2.gz QTSNPAWECWCFOR-IBGZPJMESA-N 0 3 316.420 3.011 20 30 DGEDHN CC[C@H]1CCC[C@@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC001205033061 1091088654 /nfs/dbraw/zinc/08/86/54/1091088654.db2.gz PSPAKCLNDQBWFV-DLBZAZTESA-N 0 3 312.461 3.292 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(C[C@H](C)CC(C)C)CCO1 ZINC001108118735 1091098593 /nfs/dbraw/zinc/09/85/93/1091098593.db2.gz AHFFKNMAVKZAKQ-APWZRJJASA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc(C)c2C)C1 ZINC001205103770 1091102925 /nfs/dbraw/zinc/10/29/25/1091102925.db2.gz QWAQRRSLPRGBLJ-KRWDZBQOSA-N 0 3 302.418 3.180 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108147274 1091148896 /nfs/dbraw/zinc/14/88/96/1091148896.db2.gz ZZPZLBBFELBKGR-APWZRJJASA-N 0 3 322.493 3.129 20 30 DGEDHN N#Cc1cccc(N2CCN(Cc3cccc4[nH]ccc43)CC2)c1 ZINC001205298020 1091171741 /nfs/dbraw/zinc/17/17/41/1091171741.db2.gz QCTFJLFGKDSOER-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001138559095 1091227786 /nfs/dbraw/zinc/22/77/86/1091227786.db2.gz OXDCAUUOYLYKAD-OAQYLSRUSA-N 0 3 321.420 3.490 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](Oc3ccncc3C)C2)cc1 ZINC001138561014 1091230207 /nfs/dbraw/zinc/23/02/07/1091230207.db2.gz VDBGMTIWWKTXKZ-LJQANCHMSA-N 0 3 322.408 3.055 20 30 DGEDHN CC1(C)OCCC12CCN(Cc1ccc(F)c(C#N)c1)CC2 ZINC001205502253 1091236802 /nfs/dbraw/zinc/23/68/02/1091236802.db2.gz MXBKMCJMVMKXIL-UHFFFAOYSA-N 0 3 302.393 3.478 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(C)s2)CC1 ZINC001163199804 1091245636 /nfs/dbraw/zinc/24/56/36/1091245636.db2.gz YMPMCEQWLAYHMH-UHFFFAOYSA-N 0 3 312.866 3.299 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001138627268 1091260707 /nfs/dbraw/zinc/26/07/07/1091260707.db2.gz BGKCMSSBXGXDFY-VQTJNVASSA-N 0 3 323.436 3.299 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001138627268 1091260714 /nfs/dbraw/zinc/26/07/14/1091260714.db2.gz BGKCMSSBXGXDFY-VQTJNVASSA-N 0 3 323.436 3.299 20 30 DGEDHN C=CCc1cccc(C[N@@H+](C)CCc2noc(C(C)C)n2)c1[O-] ZINC001138625503 1091261471 /nfs/dbraw/zinc/26/14/71/1091261471.db2.gz MQLSZCDZUHXJFN-UHFFFAOYSA-N 0 3 315.417 3.302 20 30 DGEDHN C=CCc1cccc(C[N@H+](C)CCc2noc(C(C)C)n2)c1[O-] ZINC001138625503 1091261476 /nfs/dbraw/zinc/26/14/76/1091261476.db2.gz MQLSZCDZUHXJFN-UHFFFAOYSA-N 0 3 315.417 3.302 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](c2ccccc2)C(C)C)CCC1 ZINC001273162024 1091279159 /nfs/dbraw/zinc/27/91/59/1091279159.db2.gz QSPMFNKNIZJFQM-GOSISDBHSA-N 0 3 312.457 3.078 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108188584 1091374676 /nfs/dbraw/zinc/37/46/76/1091374676.db2.gz VVXGORAPWIPWAW-MOPGFXCFSA-N 0 3 324.509 3.232 20 30 DGEDHN CCCOc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001138996697 1091411855 /nfs/dbraw/zinc/41/18/55/1091411855.db2.gz NMEZFEUHQKJHMO-MRXNPFEDSA-N 0 3 303.427 3.250 20 30 DGEDHN C=CCOc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001139028953 1091423087 /nfs/dbraw/zinc/42/30/87/1091423087.db2.gz KLUUPBRUVNIMDA-MRXNPFEDSA-N 0 3 301.411 3.026 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(CNCc2nccs2)CC1 ZINC001205981493 1091435997 /nfs/dbraw/zinc/43/59/97/1091435997.db2.gz SJERKIDRFKCARK-CQSZACIVSA-N 0 3 321.490 3.074 20 30 DGEDHN C#C[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(C)(C)C ZINC001206078386 1091483295 /nfs/dbraw/zinc/48/32/95/1091483295.db2.gz VLLUNHMPAPQRTC-SFHVURJKSA-N 0 3 311.429 3.078 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001206100101 1091492670 /nfs/dbraw/zinc/49/26/70/1091492670.db2.gz IYKXQPFNIDLYMY-UHFFFAOYSA-N 0 3 324.306 3.259 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001084514863 1091499459 /nfs/dbraw/zinc/49/94/59/1091499459.db2.gz JIAIBUZMYGSATL-VAMGGRTRSA-N 0 3 324.468 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001084514862 1091500618 /nfs/dbraw/zinc/50/06/18/1091500618.db2.gz JIAIBUZMYGSATL-AQNXPRMDSA-N 0 3 324.468 3.289 20 30 DGEDHN CCCCCCCN1C[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC001206155897 1091511951 /nfs/dbraw/zinc/51/19/51/1091511951.db2.gz WGUVQMVOUMHXHH-UKRRQHHQSA-N 0 3 323.506 3.472 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108193746 1091524073 /nfs/dbraw/zinc/52/40/73/1091524073.db2.gz NKTOABXAFMQVJG-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc4occc4s3)[C@@H]2C1 ZINC001084657709 1091529776 /nfs/dbraw/zinc/52/97/76/1091529776.db2.gz KYCUJVAZZSXYBP-CHWSQXEVSA-N 0 3 316.426 3.217 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001098910040 1091539312 /nfs/dbraw/zinc/53/93/12/1091539312.db2.gz IFRUSACBLQYRSU-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@@H]2C1 ZINC001084739999 1091550590 /nfs/dbraw/zinc/55/05/90/1091550590.db2.gz LZBWWFKWWXECPE-NCXUSEDFSA-N 0 3 316.489 3.005 20 30 DGEDHN CN(C)c1ccc(CN2CCC(C#Cc3ccccc3)CC2)cn1 ZINC001139458162 1091564200 /nfs/dbraw/zinc/56/42/00/1091564200.db2.gz KZFRLGQQPCIUKQ-UHFFFAOYSA-N 0 3 319.452 3.411 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(CC)CC ZINC001098921604 1091583754 /nfs/dbraw/zinc/58/37/54/1091583754.db2.gz JGWVDQMMJOODGH-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc([C@@H](C)CC)cc3)[C@@H]2C1 ZINC001084856875 1091593512 /nfs/dbraw/zinc/59/35/12/1091593512.db2.gz YUHIHFQFIKTHSM-PWIZWCRZSA-N 0 3 324.468 3.370 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001084859594 1091594334 /nfs/dbraw/zinc/59/43/34/1091594334.db2.gz BTKQHDXDPGTOOZ-BRWVUGGUSA-N 0 3 304.478 3.312 20 30 DGEDHN Cc1noc(C2CCN(Cc3c[nH]c4c3cccc4C#N)CC2)n1 ZINC001139706513 1091648340 /nfs/dbraw/zinc/64/83/40/1091648340.db2.gz XGHHKENFOJXQDN-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139725753 1091655129 /nfs/dbraw/zinc/65/51/29/1091655129.db2.gz AQGCDAROOJCWCI-GOSISDBHSA-N 0 3 300.402 3.032 20 30 DGEDHN Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc1C#N ZINC001139729383 1091656273 /nfs/dbraw/zinc/65/62/73/1091656273.db2.gz ZFXJWEZAGBWMQF-OALUTQOASA-N 0 3 315.436 3.265 20 30 DGEDHN C=CCn1cc(CN2CCC(OC)(c3ccccc3)CC2)cn1 ZINC001139771173 1091669382 /nfs/dbraw/zinc/66/93/82/1091669382.db2.gz QQOWYYODNNIPKP-UHFFFAOYSA-N 0 3 311.429 3.207 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C[C@@H]21 ZINC001085103597 1091671479 /nfs/dbraw/zinc/67/14/79/1091671479.db2.gz BCGDYYHQVLUNKA-KURKYZTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CCCCC3(C)C)C[C@@H]21 ZINC001085108296 1091671753 /nfs/dbraw/zinc/67/17/53/1091671753.db2.gz XLERDJFGXSCVNZ-SQNIBIBYSA-N 0 3 316.489 3.149 20 30 DGEDHN CN(C/C=C\c1ccc(F)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001206576809 1091675231 /nfs/dbraw/zinc/67/52/31/1091675231.db2.gz FKDOVOAVMGGJGY-SIEMBAAWSA-N 0 3 310.372 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001085287762 1091735236 /nfs/dbraw/zinc/73/52/36/1091735236.db2.gz YZMNAGIKQKPYFY-HUUCEWRRSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]c1C1CC1 ZINC001085312372 1091742912 /nfs/dbraw/zinc/74/29/12/1091742912.db2.gz BBNMQZJPBRNIJK-HUUCEWRRSA-N 0 3 321.852 3.275 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC001085323364 1091746647 /nfs/dbraw/zinc/74/66/47/1091746647.db2.gz CXDAUWDGLQKPIS-GHMZBOCLSA-N 0 3 316.232 3.051 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001085436693 1091777746 /nfs/dbraw/zinc/77/77/46/1091777746.db2.gz WXCUBOSSFRDRPN-FPDCHNRVSA-N 0 3 322.880 3.048 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001206885151 1091783538 /nfs/dbraw/zinc/78/35/38/1091783538.db2.gz XDPOIDXWGSGGCL-RHSMWYFYSA-N 0 3 318.486 3.187 20 30 DGEDHN Cn1cc(CN2CCC(n3cnc4ccccc43)CC2)cc1C#N ZINC001207108559 1091846460 /nfs/dbraw/zinc/84/64/60/1091846460.db2.gz MCYQWWADVZWYNJ-UHFFFAOYSA-N 0 3 319.412 3.084 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001085593170 1091846790 /nfs/dbraw/zinc/84/67/90/1091846790.db2.gz CURADANHXOLGLF-ARFHVFGLSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cscc1C(F)F ZINC001085599038 1091849635 /nfs/dbraw/zinc/84/96/35/1091849635.db2.gz GXBZPEORRABYOQ-LLVKDONJSA-N 0 3 314.401 3.408 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607186 1091850781 /nfs/dbraw/zinc/85/07/81/1091850781.db2.gz JDCROWYEJWELIQ-VSZNYVQBSA-N 0 3 302.462 3.088 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCCC2 ZINC001085613019 1091855267 /nfs/dbraw/zinc/85/52/67/1091855267.db2.gz GVRAZFWHCYYBBB-QGZVFWFLSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2nccc(C)c2c1 ZINC001085617349 1091860330 /nfs/dbraw/zinc/86/03/30/1091860330.db2.gz LAGMFTNDCGNQSI-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc2c1cccc2C ZINC001085643023 1091867380 /nfs/dbraw/zinc/86/73/80/1091867380.db2.gz CHVKQHBHBJMUCN-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2ccc(C)nc21 ZINC001085663707 1091873579 /nfs/dbraw/zinc/87/35/79/1091873579.db2.gz QUVOHLASRAHUEI-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)cc2ccoc21 ZINC001085684220 1091882646 /nfs/dbraw/zinc/88/26/46/1091882646.db2.gz MOZZGVXNQDIHBJ-OAHLLOKOSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(OC)c1C ZINC001085699565 1091885943 /nfs/dbraw/zinc/88/59/43/1091885943.db2.gz QPYBFAUTQXSLDK-INIZCTEOSA-N 0 3 316.445 3.034 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](CN(CCC#N)C2CCCC2)C1 ZINC001207211260 1091889697 /nfs/dbraw/zinc/88/96/97/1091889697.db2.gz PRBFEIYSXXOSCT-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1OC ZINC001085705641 1091893495 /nfs/dbraw/zinc/89/34/95/1091893495.db2.gz VLCPPAMFEVRJMO-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001085749116 1091909636 /nfs/dbraw/zinc/90/96/36/1091909636.db2.gz YVFLDMZEBGCQIU-INIZCTEOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)ccc1C)C2 ZINC001140591972 1091924354 /nfs/dbraw/zinc/92/43/54/1091924354.db2.gz QZYIYQAOTYJFKN-RBUKOAKNSA-N 0 3 319.420 3.460 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1Cl ZINC001085877142 1091993194 /nfs/dbraw/zinc/99/31/94/1091993194.db2.gz TXKSLIVEISEAIE-CYBMUJFWSA-N 0 3 322.836 3.071 20 30 DGEDHN Cc1cc(F)ccc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001140782181 1091997622 /nfs/dbraw/zinc/99/76/22/1091997622.db2.gz LMZQPWWGWMUNSP-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN SC1CCN(CCc2ccccc2Br)CC1 ZINC001207530620 1092012309 /nfs/dbraw/zinc/01/23/09/1092012309.db2.gz MAZDSXBJRGJDQQ-UHFFFAOYSA-N 0 3 300.265 3.386 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(F)ccc3Cl)C2)C1=O ZINC001273374712 1092023804 /nfs/dbraw/zinc/02/38/04/1092023804.db2.gz QFRUAYKLIYPZON-QGZVFWFLSA-N 0 3 322.811 3.090 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1coc2ccc(F)cc12 ZINC001085948795 1092038589 /nfs/dbraw/zinc/03/85/89/1092038589.db2.gz PNUDAQJUZXGRBQ-CQSZACIVSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)c(Cl)c1 ZINC001085964843 1092062897 /nfs/dbraw/zinc/06/28/97/1092062897.db2.gz SOYCXHHCMGRAOX-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cscc2Cl)C1 ZINC001086114134 1092135480 /nfs/dbraw/zinc/13/54/80/1092135480.db2.gz IPOWRJVFADITGZ-AOOOYVTPSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@]2(C1)CN(CC(CC)CC)CCO2 ZINC001276549053 1092117267 /nfs/dbraw/zinc/11/72/67/1092117267.db2.gz PWYKOEVPIPRTEH-IBGZPJMESA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001086084077 1092128219 /nfs/dbraw/zinc/12/82/19/1092128219.db2.gz BMVLCYZCWPEARV-RUZUBIRVSA-N 0 3 322.836 3.254 20 30 DGEDHN C=CCCCCCCCCCN(C)CC(=O)N1CCOCC1 ZINC001207896954 1092132679 /nfs/dbraw/zinc/13/26/79/1092132679.db2.gz XHGYDLDWASPASU-UHFFFAOYSA-N 0 3 310.482 3.084 20 30 DGEDHN COC(C)(C)[C@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141113790 1092141333 /nfs/dbraw/zinc/14/13/33/1092141333.db2.gz ABAQPRXSKURPCF-LLVKDONJSA-N 0 3 313.854 3.245 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001207935859 1092147627 /nfs/dbraw/zinc/14/76/27/1092147627.db2.gz XFARWNOZJZXURK-KRWDZBQOSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001086177263 1092152142 /nfs/dbraw/zinc/15/21/42/1092152142.db2.gz MVRKMPJWXFJAIY-BJHJDKERSA-N 0 3 308.809 3.008 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3occc3s2)C1 ZINC001086195058 1092157108 /nfs/dbraw/zinc/15/71/08/1092157108.db2.gz BQYIYOYNQNBVRM-PHIMTYICSA-N 0 3 324.833 3.345 20 30 DGEDHN N#Cc1ccccc1OC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161745 1092158118 /nfs/dbraw/zinc/15/81/18/1092158118.db2.gz WPNPUHWVQOANAQ-UHFFFAOYSA-N 0 3 324.380 3.013 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001086206290 1092160888 /nfs/dbraw/zinc/16/08/88/1092160888.db2.gz KPUQVWHBEAMVNY-XBXGTLAGSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001086256523 1092181061 /nfs/dbraw/zinc/18/10/61/1092181061.db2.gz GVYHBJXGOJDRES-PQEBFOHHSA-N 0 3 318.848 3.027 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001491596769 1092187168 /nfs/dbraw/zinc/18/71/68/1092187168.db2.gz GGJWOGUGDLOJPU-WMZOPIPTSA-N 0 3 306.494 3.347 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001086365021 1092224133 /nfs/dbraw/zinc/22/41/33/1092224133.db2.gz BMVLCYZCWPEARV-ZRJCITRHSA-N 0 3 322.836 3.254 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001086364448 1092225465 /nfs/dbraw/zinc/22/54/65/1092225465.db2.gz FTSDMNXGIIQQBK-RBSFLKMASA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001086398945 1092235569 /nfs/dbraw/zinc/23/55/69/1092235569.db2.gz HLKYBTSDKSACHT-JYJNAYRXSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCC(O)=C(C(=O)OCC)CC2)CC1 ZINC001208177548 1092240204 /nfs/dbraw/zinc/24/02/04/1092240204.db2.gz UGRKPRPQNMWSLC-IAGOWNOFSA-N 0 3 319.445 3.133 20 30 DGEDHN CCCCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001491910787 1092292340 /nfs/dbraw/zinc/29/23/40/1092292340.db2.gz RHQQFBPBFZQZFF-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001208255507 1092294791 /nfs/dbraw/zinc/29/47/91/1092294791.db2.gz KFWFNRJMJQGMRI-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4cc(F)ccc4n3)CCC2S1 ZINC001141642495 1092305944 /nfs/dbraw/zinc/30/59/44/1092305944.db2.gz SSAJYVSMVFUYQB-MRXNPFEDSA-N 0 3 314.385 3.148 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001086519737 1092313385 /nfs/dbraw/zinc/31/33/85/1092313385.db2.gz QURAVSLPEXJPPI-DTZQCDIJSA-N 0 3 310.869 3.050 20 30 DGEDHN O[C@H]1CCCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972378 1092371963 /nfs/dbraw/zinc/37/19/63/1092371963.db2.gz IYMLAYRTYKYSET-KRWDZBQOSA-N 0 3 311.450 3.495 20 30 DGEDHN CC(C)c1ccc(CN(C)CCNC(=O)C#CC(C)(C)C)cc1 ZINC001492247702 1092457211 /nfs/dbraw/zinc/45/72/11/1092457211.db2.gz MXBLAWDSJXHOOT-UHFFFAOYSA-N 0 3 314.473 3.408 20 30 DGEDHN CC[C@H](C)CCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001168961406 1092464484 /nfs/dbraw/zinc/46/44/84/1092464484.db2.gz JTWDLKFAXGZSCQ-AWEZNQCLSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1oc2ccc(F)cc2c1C ZINC001492279331 1092468146 /nfs/dbraw/zinc/46/81/46/1092468146.db2.gz CRIYZECDQJAMMB-UHFFFAOYSA-N 0 3 304.365 3.118 20 30 DGEDHN CN1CC=C(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)CC1 ZINC001208793404 1092511622 /nfs/dbraw/zinc/51/16/22/1092511622.db2.gz FUJGRIVZSMBAIW-UHFFFAOYSA-N 0 3 313.792 3.029 20 30 DGEDHN Cc1cccnc1N1CCN(CCCc2cccc(C#N)c2)CC1 ZINC001208844127 1092538536 /nfs/dbraw/zinc/53/85/36/1092538536.db2.gz DRPRIHJDNRMQKK-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN CN1CCN(CCCc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC001208845807 1092542953 /nfs/dbraw/zinc/54/29/53/1092542953.db2.gz SUESUVHYUPBVCS-OAQYLSRUSA-N 0 3 319.452 3.480 20 30 DGEDHN N#Cc1cccc(CCCN2CCc3cc4c(cc3C2)OCO4)c1 ZINC001208845953 1092543011 /nfs/dbraw/zinc/54/30/11/1092543011.db2.gz VNOPRLKYGSWKFX-UHFFFAOYSA-N 0 3 320.392 3.278 20 30 DGEDHN CN(CCCc1ccc(C#N)cc1)Cc1cccc2c1OCO2 ZINC001208864433 1092551875 /nfs/dbraw/zinc/55/18/75/1092551875.db2.gz SQXXCSBIRWMVSR-UHFFFAOYSA-N 0 3 308.381 3.352 20 30 DGEDHN N#Cc1ccc2c(CN3CCC4(C[C@H](F)CO4)CC3)c[nH]c2c1 ZINC001142922296 1092587404 /nfs/dbraw/zinc/58/74/04/1092587404.db2.gz BAPWGIDSQKTMHI-HNNXBMFYSA-N 0 3 313.376 3.133 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCCc2ccc(F)cc2)C1 ZINC001208923963 1092587620 /nfs/dbraw/zinc/58/76/20/1092587620.db2.gz IIRLUAKVZRCHDK-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN N#Cc1ccc2c(CN3CC[C@H](Oc4ccccn4)C3)c[nH]c2c1 ZINC001142926130 1092588735 /nfs/dbraw/zinc/58/87/35/1092588735.db2.gz JQZBYDKHJMHUIP-INIZCTEOSA-N 0 3 318.380 3.088 20 30 DGEDHN Cc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)c(N)n1 ZINC001143204152 1092633435 /nfs/dbraw/zinc/63/34/35/1092633435.db2.gz ZIEBDVMMTBJJEQ-UHFFFAOYSA-N 0 3 306.413 3.224 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001209107202 1092654543 /nfs/dbraw/zinc/65/45/43/1092654543.db2.gz RSIXBUCRJHMVSI-BPQIPLTHSA-N 0 3 306.494 3.461 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC001209253520 1092715353 /nfs/dbraw/zinc/71/53/53/1092715353.db2.gz IFCNHSZZAWSTAZ-BHIYHBOVSA-N 0 3 314.473 3.439 20 30 DGEDHN C=CCCCCCN1CCCn2nc(C(=O)OCC)cc2C1 ZINC001209423670 1092769273 /nfs/dbraw/zinc/76/92/73/1092769273.db2.gz WMNOEHUWEIOBHY-UHFFFAOYSA-N 0 3 305.422 3.012 20 30 DGEDHN C=CCCCCCCCCN1CCC(O)=C(C(=O)OCC)C1 ZINC001209443379 1092776745 /nfs/dbraw/zinc/77/67/45/1092776745.db2.gz ROSRIRFGQNECPA-INIZCTEOSA-N 0 3 309.450 3.357 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001150586985 1092797838 /nfs/dbraw/zinc/79/78/38/1092797838.db2.gz DJSONWPIKPGNBJ-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)CCC2CCCC2)CC1 ZINC001150919083 1092841377 /nfs/dbraw/zinc/84/13/77/1092841377.db2.gz YZMXYOPLEVFCNL-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001151368213 1092890993 /nfs/dbraw/zinc/89/09/93/1092890993.db2.gz XCTYWMVAFCNMGU-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001210081765 1093037504 /nfs/dbraw/zinc/03/75/04/1093037504.db2.gz OMLNWBHUCPCNII-SJLPKXTDSA-N 0 3 314.473 3.268 20 30 DGEDHN C#Cc1ccc(Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC001210114245 1093047524 /nfs/dbraw/zinc/04/75/24/1093047524.db2.gz ALFHTSNXFUHHCM-UHFFFAOYSA-N 0 3 305.425 3.472 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCc2cccs2)C1 ZINC001210870838 1093306499 /nfs/dbraw/zinc/30/64/99/1093306499.db2.gz IKVQWUPLRHKQAO-GDBMZVCRSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC001210877876 1093308880 /nfs/dbraw/zinc/30/88/80/1093308880.db2.gz QAPGKHYFEMMDLE-SJLPKXTDSA-N 0 3 314.473 3.285 20 30 DGEDHN CC#Cc1cncc(Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC001211058886 1093368059 /nfs/dbraw/zinc/36/80/59/1093368059.db2.gz NKSDFYGITSBSOB-UHFFFAOYSA-N 0 3 320.440 3.257 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001211343327 1093466446 /nfs/dbraw/zinc/46/64/46/1093466446.db2.gz VGUIXIFREBOVBS-INIZCTEOSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC001211399254 1093482252 /nfs/dbraw/zinc/48/22/52/1093482252.db2.gz LFIPMNFQZXRJDG-OLMNPRSZSA-N 0 3 318.436 3.188 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001211436142 1093494156 /nfs/dbraw/zinc/49/41/56/1093494156.db2.gz CLYUPFYIEBRZSB-UHFFFAOYSA-N 0 3 308.385 3.416 20 30 DGEDHN CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213076481 1093510803 /nfs/dbraw/zinc/51/08/03/1093510803.db2.gz TYXISLFKDHZXBK-UHFFFAOYSA-N 0 3 319.368 3.155 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)[C@H](OC)C1 ZINC001213477733 1093593153 /nfs/dbraw/zinc/59/31/53/1093593153.db2.gz YGJDZENSCYPUQO-KZNAEPCWSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)CCCCC)[C@H](OC)C1 ZINC001213892493 1093676674 /nfs/dbraw/zinc/67/66/74/1093676674.db2.gz IQLHTNKHISCMDF-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@H](C)C2CC2)[C@H](OC)C1 ZINC001213940858 1093683674 /nfs/dbraw/zinc/68/36/74/1093683674.db2.gz URRTTZYUBNGNSZ-CGTJXYLNSA-N 0 3 324.509 3.208 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215332529 1093962645 /nfs/dbraw/zinc/96/26/45/1093962645.db2.gz WSRYONFDWWWLEF-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215701372 1094035389 /nfs/dbraw/zinc/03/53/89/1094035389.db2.gz SMBUZKLADUHWNC-VXGBXAGGSA-N 0 3 319.276 3.344 20 30 DGEDHN Cc1c(C#N)cccc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001216177222 1094138863 /nfs/dbraw/zinc/13/88/63/1094138863.db2.gz FRLRTMZTCMAQQF-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CCCCC[C@H](C)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001134825005 1094304084 /nfs/dbraw/zinc/30/40/84/1094304084.db2.gz WXPCVTQJKRJBDW-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CCCCC)[C@H]2C1 ZINC001217310680 1094368125 /nfs/dbraw/zinc/36/81/25/1094368125.db2.gz GXSQYTOMMAPHNU-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN CN(C)c1ncccc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001120071644 1094370978 /nfs/dbraw/zinc/37/09/78/1094370978.db2.gz VSSBIXALALGEAS-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2c[nH]cc2C)CCCCC1 ZINC001120129561 1094381793 /nfs/dbraw/zinc/38/17/93/1094381793.db2.gz IUXJSVMJOYDBBZ-UHFFFAOYSA-N 0 3 309.841 3.098 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135181786 1094432223 /nfs/dbraw/zinc/43/22/23/1094432223.db2.gz VFRTYVHDMALXOR-QWHCGFSZSA-N 0 3 321.465 3.267 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001120503471 1094444358 /nfs/dbraw/zinc/44/43/58/1094444358.db2.gz ROAUAGSHDMZJAG-GOSISDBHSA-N 0 3 316.445 3.305 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001135236285 1094454614 /nfs/dbraw/zinc/45/46/14/1094454614.db2.gz RKEYDJSFQDLRCH-STQMWFEESA-N 0 3 321.465 3.131 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)C[C@H](C)CC)[C@H]2C1 ZINC001217744525 1094488505 /nfs/dbraw/zinc/48/85/05/1094488505.db2.gz WRNOZSGRNNKMOZ-FGTMMUONSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@H](C)NCc2ocnc2C)CCC1 ZINC001135396020 1094515210 /nfs/dbraw/zinc/51/52/10/1094515210.db2.gz VERYTZYNQBCUCW-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@@H](C)NCc2cc(C)no2)CC1 ZINC001135416925 1094528623 /nfs/dbraw/zinc/52/86/23/1094528623.db2.gz YCHIOWKIXFUODY-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2nc(C)cs2)C1 ZINC001135418029 1094529873 /nfs/dbraw/zinc/52/98/73/1094529873.db2.gz BKFYWCJXHACVPJ-CHWSQXEVSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135565365 1094579320 /nfs/dbraw/zinc/57/93/20/1094579320.db2.gz UGTMHULKBLAZIF-STQMWFEESA-N 0 3 321.465 3.267 20 30 DGEDHN F[C@H]1CNCC[C@@H]1Oc1ccccc1C=NNc1ccccc1 ZINC001218071863 1094587253 /nfs/dbraw/zinc/58/72/53/1094587253.db2.gz QHYDAMYNZVLEDO-WMZOPIPTSA-N 0 3 313.376 3.211 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(C)(C)C(C)C)C2 ZINC001121169220 1094594889 /nfs/dbraw/zinc/59/48/89/1094594889.db2.gz GYKZRFFELCAGDT-UHFFFAOYSA-N 0 3 312.885 3.438 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)[nH]c2C)C1 ZINC001103474915 1094642217 /nfs/dbraw/zinc/64/22/17/1094642217.db2.gz PIJRMWYFHZUPPF-IAQYHMDHSA-N 0 3 323.868 3.072 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001103518685 1094657772 /nfs/dbraw/zinc/65/77/72/1094657772.db2.gz CICNEDIZNFBHJH-VDNDLQMASA-N 0 3 324.896 3.249 20 30 DGEDHN C#CCCCCCC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121534410 1094706627 /nfs/dbraw/zinc/70/66/27/1094706627.db2.gz HFKHDSUEEMKRDT-UHFFFAOYSA-N 0 3 322.880 3.340 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1C ZINC001103872423 1094782208 /nfs/dbraw/zinc/78/22/08/1094782208.db2.gz FSJQRFFCJCUXKC-UKRRQHHQSA-N 0 3 324.852 3.039 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1SC(=O)N(C)C ZINC001121948054 1094838047 /nfs/dbraw/zinc/83/80/47/1094838047.db2.gz MJDHWZUJUBODBW-LBPRGKRZSA-N 0 3 321.446 3.082 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC001121950871 1094840338 /nfs/dbraw/zinc/84/03/38/1094840338.db2.gz HSVGDBQPBZTJCP-ZDUSSCGKSA-N 0 3 318.808 3.148 20 30 DGEDHN CC[C@H]1CCCC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136080676 1094850358 /nfs/dbraw/zinc/85/03/58/1094850358.db2.gz JRZUAZVGVOBTSI-BBRMVZONSA-N 0 3 319.474 3.042 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cn2c(cccc2Cl)n1 ZINC001218738946 1094858732 /nfs/dbraw/zinc/85/87/32/1094858732.db2.gz RMOFNJWDBRJJEF-LBPRGKRZSA-N 0 3 320.824 3.390 20 30 DGEDHN C=C(C)CCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001337253915 1094910775 /nfs/dbraw/zinc/91/07/75/1094910775.db2.gz PUMHVOPTUURJHX-KRWDZBQOSA-N 0 3 300.446 3.323 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2CCCCCC2)[C@@H](O)C1 ZINC001219328626 1094964478 /nfs/dbraw/zinc/96/44/78/1094964478.db2.gz RDXBUCCRFLWQLY-MSOLQXFVSA-N 0 3 324.509 3.089 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2F)cc1 ZINC001122459530 1094980566 /nfs/dbraw/zinc/98/05/66/1094980566.db2.gz PZMSZSKCRXZQHG-HPEDKQMDSA-N 0 3 302.349 3.205 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCc1ccc2c(c1)CCC2 ZINC001219569498 1094990057 /nfs/dbraw/zinc/99/00/57/1094990057.db2.gz RZAPNAWOIVBXKG-SFHVURJKSA-N 0 3 300.446 3.255 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCc2cccc(N)c2C1 ZINC001122545933 1095004119 /nfs/dbraw/zinc/00/41/19/1095004119.db2.gz MRMMLFJJRDWXPA-GOSISDBHSA-N 0 3 317.477 3.231 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)CCCC)C[C@H]1C(F)(F)F ZINC001112094159 1095033026 /nfs/dbraw/zinc/03/30/26/1095033026.db2.gz WQCWOUKBPDZDGE-MGPQQGTHSA-N 0 3 320.399 3.368 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(CCC)CCC2)[C@@H](O)C1 ZINC001220190485 1095063598 /nfs/dbraw/zinc/06/35/98/1095063598.db2.gz NUZBOXPTZVSHGA-SJORKVTESA-N 0 3 324.509 3.089 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)CCCCCCCCCC)[C@@H](O)C1 ZINC001220836888 1095163281 /nfs/dbraw/zinc/16/32/81/1095163281.db2.gz JNIOFMCYROHQNH-MSOLQXFVSA-N 0 3 324.509 3.255 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001171036888 1095172824 /nfs/dbraw/zinc/17/28/24/1095172824.db2.gz YZUVPIGKLYACJU-CQSZACIVSA-N 0 3 307.438 3.104 20 30 DGEDHN C#CC1(NC(=O)[C@H]2CCC[C@H](c3ccccc3)N2)CCCCC1 ZINC001221275553 1095228213 /nfs/dbraw/zinc/22/82/13/1095228213.db2.gz DWYMQEOFXVJUFE-QZTJIDSGSA-N 0 3 310.441 3.322 20 30 DGEDHN CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221292867 1095236467 /nfs/dbraw/zinc/23/64/67/1095236467.db2.gz VGQAUIYMSVMJTL-JENIJYKNSA-N 0 3 313.445 3.314 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)[C@@H](C)SC)[C@@H]2C1 ZINC001221296673 1095237229 /nfs/dbraw/zinc/23/72/29/1095237229.db2.gz WOELEBSJKBRDMA-BZUAXINKSA-N 0 3 310.507 3.017 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccc(CC)cc3)C[C@H]21 ZINC001221429283 1095265553 /nfs/dbraw/zinc/26/55/53/1095265553.db2.gz QPANNCZORKEYEU-RTBURBONSA-N 0 3 312.457 3.248 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cnoc2C)CCCCC1 ZINC001115556804 1095277885 /nfs/dbraw/zinc/27/78/85/1095277885.db2.gz CGIAGWALQASSDI-UHFFFAOYSA-N 0 3 319.449 3.248 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3cc(C)cc(C)c3)C[C@H]21 ZINC001221512641 1095287911 /nfs/dbraw/zinc/28/79/11/1095287911.db2.gz IZNZQWQOQGDQIX-WOJBJXKFSA-N 0 3 324.468 3.140 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001221580494 1095308013 /nfs/dbraw/zinc/30/80/13/1095308013.db2.gz MSKXHKDTYNWGTH-SFHVURJKSA-N 0 3 315.461 3.397 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccccn2)CCCCC1 ZINC001115667153 1095323821 /nfs/dbraw/zinc/32/38/21/1095323821.db2.gz YUDISZCAVKQFPQ-UHFFFAOYSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C(C)(C)C(F)F)CCCCC1 ZINC001115723422 1095357520 /nfs/dbraw/zinc/35/75/20/1095357520.db2.gz PJONSOUFWIKKMK-UHFFFAOYSA-N 0 3 322.827 3.439 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)CCCCC1 ZINC001222040124 1095413190 /nfs/dbraw/zinc/41/31/90/1095413190.db2.gz LHKNKOQDLZGETH-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](CC)CCCCC)[C@@H]2C1 ZINC001222037957 1095414333 /nfs/dbraw/zinc/41/43/33/1095414333.db2.gz GFUURMMYHVVRQK-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cc1ccccc1)C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001144405394 1095645128 /nfs/dbraw/zinc/64/51/28/1095645128.db2.gz OZHCGJSSRGEHIS-UHFFFAOYSA-N 0 3 305.381 3.021 20 30 DGEDHN C=C(Cc1ccccc1)C(=O)NCCc1c[nH]c2ccncc12 ZINC001144405394 1095645131 /nfs/dbraw/zinc/64/51/31/1095645131.db2.gz OZHCGJSSRGEHIS-UHFFFAOYSA-N 0 3 305.381 3.021 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001091095868 1095663003 /nfs/dbraw/zinc/66/30/03/1095663003.db2.gz HLKYBTSDKSACHT-PCKAHOCUSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001091095867 1095663625 /nfs/dbraw/zinc/66/36/25/1095663625.db2.gz HLKYBTSDKSACHT-HWOWSKLDSA-N 0 3 310.869 3.360 20 30 DGEDHN C[C@@H](C#N)OCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001116938160 1095705383 /nfs/dbraw/zinc/70/53/83/1095705383.db2.gz NQPJTYAUMMCSBF-UWVGGRQHSA-N 0 3 302.296 3.006 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(CC(F)(F)F)cn1 ZINC001171199426 1095718560 /nfs/dbraw/zinc/71/85/60/1095718560.db2.gz ZZZZSVAQGQBFTO-GFCCVEGCSA-N 0 3 322.334 3.038 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)OCCCCCC)C[C@@H]21 ZINC001222679297 1095719221 /nfs/dbraw/zinc/71/92/21/1095719221.db2.gz BATAOCVNGYXBJY-KSZLIROESA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H]1CCc2ccccc2C1=O ZINC001171201743 1095736897 /nfs/dbraw/zinc/73/68/97/1095736897.db2.gz QMJGXQSEFIZBJG-LIRRHRJNSA-N 0 3 304.393 3.277 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001339868874 1095763897 /nfs/dbraw/zinc/76/38/97/1095763897.db2.gz LPDOUPGYFUHOBG-INIZCTEOSA-N 0 3 319.405 3.015 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC(C)(C)c1ccccc1 ZINC001144737631 1095794718 /nfs/dbraw/zinc/79/47/18/1095794718.db2.gz GXUGZWAHMJMSIW-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccoc2C2CC2)C1 ZINC001091201325 1095798466 /nfs/dbraw/zinc/79/84/66/1095798466.db2.gz MVRKMPJWXFJAIY-UHFFFAOYSA-N 0 3 308.809 3.008 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001091198763 1095803382 /nfs/dbraw/zinc/80/33/82/1095803382.db2.gz SLKDCAFAAIJYOI-UHFFFAOYSA-N 0 3 323.868 3.228 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC001340014031 1095815909 /nfs/dbraw/zinc/81/59/09/1095815909.db2.gz MCPSPUNYYOJZGS-CABCVRRESA-N 0 3 315.442 3.032 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)c(C)s1)C2 ZINC001110114745 1095839041 /nfs/dbraw/zinc/83/90/41/1095839041.db2.gz DCISYCQEWQXIDW-ILXRZTDVSA-N 0 3 319.474 3.061 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001091247024 1095844060 /nfs/dbraw/zinc/84/40/60/1095844060.db2.gz KPUQVWHBEAMVNY-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001091331103 1095899446 /nfs/dbraw/zinc/89/94/46/1095899446.db2.gz GVYHBJXGOJDRES-MHVXSEJMSA-N 0 3 318.848 3.027 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccccc2Cl)C1 ZINC001091335890 1095901756 /nfs/dbraw/zinc/90/17/56/1095901756.db2.gz QLRIGSMIPJWSMJ-UHFFFAOYSA-N 0 3 313.228 3.191 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001091380691 1095923903 /nfs/dbraw/zinc/92/39/03/1095923903.db2.gz GCAJIMDUOMRXIX-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001276884088 1095949770 /nfs/dbraw/zinc/94/97/70/1095949770.db2.gz PBNKCGJVIPCBDX-KBPBESRZSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCCCCN1CC[C@H]2C[C@]21C(=O)NC1CCC(F)CC1 ZINC001276887291 1095957825 /nfs/dbraw/zinc/95/78/25/1095957825.db2.gz BDJRTYRGNPAOLJ-MMIPBJDJSA-N 0 3 308.441 3.204 20 30 DGEDHN CC[C@@H](CC#N)N1CCN[C@H](c2cccc(Br)c2)C1 ZINC001246807848 1095994814 /nfs/dbraw/zinc/99/48/14/1095994814.db2.gz UBCFGMQMKLLMTC-GJZGRUSLSA-N 0 3 322.250 3.088 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223564061 1096001281 /nfs/dbraw/zinc/00/12/81/1096001281.db2.gz SPKSORVPVYBRLD-BBWFWOEESA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccsc1C(F)(F)F ZINC001340876687 1096057080 /nfs/dbraw/zinc/05/70/80/1096057080.db2.gz PDHZWSPSLJFKCJ-JTQLQIEISA-N 0 3 306.353 3.067 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001276924111 1096076341 /nfs/dbraw/zinc/07/63/41/1096076341.db2.gz RUSWLHUOBHXIPY-DLBZAZTESA-N 0 3 322.493 3.271 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)C)C[C@@H]21 ZINC001223955636 1096105111 /nfs/dbraw/zinc/10/51/11/1096105111.db2.gz QCNICLFGEICAAH-KURKYZTESA-N 0 3 304.478 3.005 20 30 DGEDHN Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H](N)CCCC#N)o1 ZINC001119328212 1096169316 /nfs/dbraw/zinc/16/93/16/1096169316.db2.gz SSHITCPMHOFRPL-KRWDZBQOSA-N 0 3 319.449 3.374 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1cc3ccccc3o1)C2 ZINC001147158849 1096175348 /nfs/dbraw/zinc/17/53/48/1096175348.db2.gz KFOWHJMAKKIBIO-UHFFFAOYSA-N 0 3 324.424 3.433 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224385471 1096200698 /nfs/dbraw/zinc/20/06/98/1096200698.db2.gz CPFQYKHSTXZTFS-IBGZPJMESA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001276981081 1096238358 /nfs/dbraw/zinc/23/83/58/1096238358.db2.gz ZHHIBCGEPAHCLX-XJKSGUPXSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001276985764 1096248746 /nfs/dbraw/zinc/24/87/46/1096248746.db2.gz IYPLSBIRYSOFJP-ROUUACIJSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001224816115 1096290982 /nfs/dbraw/zinc/29/09/82/1096290982.db2.gz VMQOJSYMOZOYSS-USXIJHARSA-N 0 3 316.445 3.378 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001224825172 1096293628 /nfs/dbraw/zinc/29/36/28/1096293628.db2.gz HXPIDOUHCIMOHG-CVEARBPZSA-N 0 3 306.494 3.156 20 30 DGEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC ZINC001224871676 1096304461 /nfs/dbraw/zinc/30/44/61/1096304461.db2.gz QOEIKXRIRYFSCI-CHWSQXEVSA-N 0 3 317.271 3.102 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148095316 1096306862 /nfs/dbraw/zinc/30/68/62/1096306862.db2.gz HCRCQCHAMJAKBE-LSDHHAIUSA-N 0 3 318.486 3.241 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001277001970 1096307015 /nfs/dbraw/zinc/30/70/15/1096307015.db2.gz SGHHJRHJDMUNFC-CYUUQNCZSA-N 0 3 324.877 3.089 20 30 DGEDHN CC(C)Oc1ccc(C(=O)Nc2cnccc2N(C)C)cc1C#N ZINC001148769039 1096444900 /nfs/dbraw/zinc/44/49/00/1096444900.db2.gz MVSCYLYFDSJAFF-UHFFFAOYSA-N 0 3 324.384 3.059 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C=C)c3ccccc3)C2)C1 ZINC001148812174 1096452082 /nfs/dbraw/zinc/45/20/82/1096452082.db2.gz PCULYIVRXLQQOC-KRWDZBQOSA-N 0 3 310.441 3.067 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001086856997 1096489734 /nfs/dbraw/zinc/48/97/34/1096489734.db2.gz FQYLXKBBWMFCNZ-QCEMKRCNSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC3CCCC3)C2)CC1 ZINC001086899938 1096499435 /nfs/dbraw/zinc/49/94/35/1096499435.db2.gz XHCVAVBZWRTVDK-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3CCCCC3)C2)CC1 ZINC001086900950 1096500385 /nfs/dbraw/zinc/50/03/85/1096500385.db2.gz WHPDDCGANXBXIA-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3C=CCC3)C2)CC1 ZINC001086902021 1096500484 /nfs/dbraw/zinc/50/04/84/1096500484.db2.gz UWYWRWMNBWTHPI-QZTJIDSGSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C(CC)CC)C2)CC1 ZINC001086903898 1096502220 /nfs/dbraw/zinc/50/22/20/1096502220.db2.gz QRKPAQZPVKEKRH-MRXNPFEDSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC001086913177 1096506261 /nfs/dbraw/zinc/50/62/61/1096506261.db2.gz JPEDMKZBGWFBDL-HNNXBMFYSA-N 0 3 316.489 3.005 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC3(C)C)C2)CC1 ZINC001086938048 1096514639 /nfs/dbraw/zinc/51/46/39/1096514639.db2.gz GRGBWAZPUZKHIJ-IRXDYDNUSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3C=CCCC3)C2)CC1 ZINC001086928974 1096519990 /nfs/dbraw/zinc/51/99/90/1096519990.db2.gz TVXFDHBVPDXTOS-QZTJIDSGSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[C@H](C)CC3)C2)CC1 ZINC001086954305 1096521650 /nfs/dbraw/zinc/52/16/50/1096521650.db2.gz IGZFLVYRVZVSNM-BZSNNMDCSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cccc(C)c3C)C2)CC1 ZINC001086955451 1096523453 /nfs/dbraw/zinc/52/34/53/1096523453.db2.gz NSKVLJOIIPTRGQ-KRWDZBQOSA-N 0 3 324.468 3.253 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001277092385 1096590820 /nfs/dbraw/zinc/59/08/20/1096590820.db2.gz DQHIRIVQLDWQTL-CEGJGDEGSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001092310110 1096601246 /nfs/dbraw/zinc/60/12/46/1096601246.db2.gz LDQNNJPOKBXBDN-QKLQHJQFSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)CC1 ZINC001092934478 1096643040 /nfs/dbraw/zinc/64/30/40/1096643040.db2.gz BQJFEBWAVZCUBO-HWKADKQISA-N 0 3 310.869 3.169 20 30 DGEDHN N=C(N[C@H]1CCc2c(F)cccc2C1)c1ccc(Cl)cn1 ZINC001171403112 1096673077 /nfs/dbraw/zinc/67/30/77/1096673077.db2.gz XBANRQDXQCULLH-LBPRGKRZSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2cc3ccccc3o2)CC1 ZINC001226527484 1096713283 /nfs/dbraw/zinc/71/32/83/1096713283.db2.gz KJOBFQXXMCMLTA-UHFFFAOYSA-N 0 3 312.413 3.480 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001226527455 1096713453 /nfs/dbraw/zinc/71/34/53/1096713453.db2.gz KBYNIPWVPGIFFQ-UHFFFAOYSA-N 0 3 304.409 3.181 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1CC ZINC001226532987 1096715037 /nfs/dbraw/zinc/71/50/37/1096715037.db2.gz MOXGDBSNZYVAAA-IAGOWNOFSA-N 0 3 319.449 3.110 20 30 DGEDHN C=CCCCCCN1CC2(C[C@@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001277151215 1096761523 /nfs/dbraw/zinc/76/15/23/1096761523.db2.gz DOJCOZDLPLIXRU-MRXNPFEDSA-N 0 3 320.452 3.015 20 30 DGEDHN C=CCCCCCN1CC2(C[C@H]2C(=O)N2CCCC23CC3)C1 ZINC001277152778 1096765609 /nfs/dbraw/zinc/76/56/09/1096765609.db2.gz VJTFWQRNGSVFBB-INIZCTEOSA-N 0 3 302.462 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cc(C)ccc2C)CC1 ZINC001226834112 1096790211 /nfs/dbraw/zinc/79/02/11/1096790211.db2.gz MBIJAINDSDYRSX-MRXNPFEDSA-N 0 3 315.461 3.314 20 30 DGEDHN N#Cc1cc(C#N)cc(O[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001226896206 1096808358 /nfs/dbraw/zinc/80/83/58/1096808358.db2.gz JNLJKDVQQQDDIW-IBGZPJMESA-N 0 3 317.392 3.473 20 30 DGEDHN Fc1cc2c(c(F)c1F)C[C@@H](N1CCC(S)CC1)CC2 ZINC001171544454 1096912072 /nfs/dbraw/zinc/91/20/72/1096912072.db2.gz UUDNEYIDKVHJFB-JTQLQIEISA-N 0 3 301.377 3.355 20 30 DGEDHN CCC#C[C@H](C)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC001171606836 1096933542 /nfs/dbraw/zinc/93/35/42/1096933542.db2.gz DGHUGRVEJNFSQJ-RRQGHBQHSA-N 0 3 319.832 3.330 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001227588575 1096955964 /nfs/dbraw/zinc/95/59/64/1096955964.db2.gz QZYJQZPZXKMVCX-UHFFFAOYSA-N 0 3 300.446 3.432 20 30 DGEDHN CCCCCCCCN1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277232380 1096970969 /nfs/dbraw/zinc/97/09/69/1096970969.db2.gz ZCPHSZDGOAZOMY-KRWDZBQOSA-N 0 3 317.477 3.041 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001171839876 1096989131 /nfs/dbraw/zinc/98/91/31/1096989131.db2.gz JYDKOCAMNSXFIZ-UHFFFAOYSA-N 0 3 308.853 3.446 20 30 DGEDHN CCCCCCCCCC(=O)NCCCNCc1nccn1C ZINC001171865091 1096994909 /nfs/dbraw/zinc/99/49/09/1096994909.db2.gz RAYZDNCMMVKNKF-UHFFFAOYSA-N 0 3 322.497 3.157 20 30 DGEDHN C=C1CCC(CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC001227883840 1097005813 /nfs/dbraw/zinc/00/58/13/1097005813.db2.gz VTQKALFFDVHOJM-QGZVFWFLSA-N 0 3 305.466 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCc1nc(C)c(C)s1 ZINC001277264205 1097039087 /nfs/dbraw/zinc/03/90/87/1097039087.db2.gz PDWSVGKKVQGSPA-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C/Cl)C1 ZINC001277285807 1097081132 /nfs/dbraw/zinc/08/11/32/1097081132.db2.gz QNSCHRVTJQRFKX-CZPJPAAGSA-N 0 3 322.880 3.245 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001228270452 1097086923 /nfs/dbraw/zinc/08/69/23/1097086923.db2.gz QLQQNXBWBPVOOJ-IAGOWNOFSA-N 0 3 319.449 3.165 20 30 DGEDHN CCCc1cc(C)nc(O[C@H]2CCCN(C(C)C)C2)c1C#N ZINC001228600131 1097150446 /nfs/dbraw/zinc/15/04/46/1097150446.db2.gz XEYNPUMIELUORD-INIZCTEOSA-N 0 3 301.434 3.466 20 30 DGEDHN C[C@@H](CCCC#N)N1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001172496278 1097169853 /nfs/dbraw/zinc/16/98/53/1097169853.db2.gz LOZMZOHFJXQJLK-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H](C)CCCC#N ZINC001172507026 1097174095 /nfs/dbraw/zinc/17/40/95/1097174095.db2.gz NSRVYGIAQUZWIN-LSDHHAIUSA-N 0 3 309.454 3.400 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228748613 1097182590 /nfs/dbraw/zinc/18/25/90/1097182590.db2.gz MPDAJVZSXPSYIR-IRXDYDNUSA-N 0 3 324.509 3.088 20 30 DGEDHN CCCCCCCNC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001277330429 1097193116 /nfs/dbraw/zinc/19/31/16/1097193116.db2.gz JVLZHFQFSBFEQS-UHFFFAOYSA-N 0 3 307.482 3.227 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](OCC)C(C)C ZINC001277345834 1097229399 /nfs/dbraw/zinc/22/93/99/1097229399.db2.gz MZBMXEMAHAYMQF-FGTMMUONSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001229017461 1097238590 /nfs/dbraw/zinc/23/85/90/1097238590.db2.gz STAFTLWXPYHZLE-IBGZPJMESA-N 0 3 324.509 3.232 20 30 DGEDHN CC(C)C[C@H]([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)N[O-] ZINC001172821557 1097247464 /nfs/dbraw/zinc/24/74/64/1097247464.db2.gz JORDBJCPLJNULT-ABHNRTSZSA-N 0 3 318.461 3.298 20 30 DGEDHN C[C@@H]1CC[C@@H](N2CCC[C@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001173063266 1097315941 /nfs/dbraw/zinc/31/59/41/1097315941.db2.gz AIIKGLAHKDQKMA-BZUAXINKSA-N 0 3 321.465 3.400 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cccc1 ZINC001229800500 1097389596 /nfs/dbraw/zinc/38/95/96/1097389596.db2.gz GHKABVQOFNHQPP-ARFHVFGLSA-N 0 3 323.868 3.209 20 30 DGEDHN N#Cc1cc(F)c(F)cc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001229840203 1097396861 /nfs/dbraw/zinc/39/68/61/1097396861.db2.gz YAZMKDCLJBSMGN-OAHLLOKOSA-N 0 3 314.335 3.490 20 30 DGEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@@H](C)CSCC)CCO2 ZINC001173304646 1097404945 /nfs/dbraw/zinc/40/49/45/1097404945.db2.gz CIYGZWYFKKLECP-GVDBMIGSSA-N 0 3 313.507 3.202 20 30 DGEDHN CCCCCCCC[C@H](CCC)N(C)S(=O)(=O)CCN ZINC001173310031 1097407597 /nfs/dbraw/zinc/40/75/97/1097407597.db2.gz NYKXVSDVABGWRE-HNNXBMFYSA-N 0 3 306.516 3.126 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C1CCC(CC#N)CC1 ZINC001173336105 1097420842 /nfs/dbraw/zinc/42/08/42/1097420842.db2.gz NOEGKKGANJDSIY-CKUJCDMFSA-N 0 3 319.449 3.152 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C)C2 ZINC001095114775 1097426557 /nfs/dbraw/zinc/42/65/57/1097426557.db2.gz AKOOUHBBYXOOFM-ILXRZTDVSA-N 0 3 304.459 3.358 20 30 DGEDHN C=CCOC1CCC(NCC(=O)c2cc(F)ccc2F)CC1 ZINC001173318648 1097428497 /nfs/dbraw/zinc/42/84/97/1097428497.db2.gz HMGYVIGMGXIRCA-UHFFFAOYSA-N 0 3 309.356 3.251 20 30 DGEDHN CCCCCCCCC(=O)NC1CCN(CCOCC)CC1 ZINC001230115452 1097447503 /nfs/dbraw/zinc/44/75/03/1097447503.db2.gz YDLWHYPDCQPJJX-UHFFFAOYSA-N 0 3 312.498 3.354 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NCCF)c1ccccc1 ZINC001230229387 1097460622 /nfs/dbraw/zinc/46/06/22/1097460622.db2.gz PWAQBWUPCJUXSR-KBAYOESNSA-N 0 3 318.436 3.333 20 30 DGEDHN CSc1ncc(Cl)c(CNC2CCC(C)(C#N)CC2)n1 ZINC001173590368 1097465304 /nfs/dbraw/zinc/46/53/04/1097465304.db2.gz HLNSBOANSJEFSK-UHFFFAOYSA-N 0 3 310.854 3.414 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)NC1CCN(CC=C)CC1 ZINC001230322242 1097475847 /nfs/dbraw/zinc/47/58/47/1097475847.db2.gz YEQAOUFIIVAHQG-SFHVURJKSA-N 0 3 312.457 3.188 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001277457239 1097498330 /nfs/dbraw/zinc/49/83/30/1097498330.db2.gz DJIUHWPBKXMLFA-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H]2CCCN2CC(=C)Cl)CC1 ZINC001230532851 1097506177 /nfs/dbraw/zinc/50/61/77/1097506177.db2.gz CSQXSUMYLVSSEW-MRXNPFEDSA-N 0 3 310.869 3.408 20 30 DGEDHN COC(=O)c1ccc(Nc2ccccc2CN(C)C)c(C#N)c1 ZINC001173932579 1097558149 /nfs/dbraw/zinc/55/81/49/1097558149.db2.gz XJJHOQFCTFNVNB-UHFFFAOYSA-N 0 3 309.369 3.150 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230701890 1097559798 /nfs/dbraw/zinc/55/97/98/1097559798.db2.gz HTZUNDIBVKAHKQ-INIZCTEOSA-N 0 3 304.434 3.481 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001277465320 1097575452 /nfs/dbraw/zinc/57/54/52/1097575452.db2.gz OIIDAFDICPJSIO-MOPGFXCFSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230762598 1097577108 /nfs/dbraw/zinc/57/71/08/1097577108.db2.gz PBSGRPYVNJWDBH-MRXNPFEDSA-N 0 3 304.434 3.481 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001230815918 1097596311 /nfs/dbraw/zinc/59/63/11/1097596311.db2.gz XEMOSWYMAWWDNY-MRXNPFEDSA-N 0 3 309.498 3.495 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CCCC3CCCC3)C2)C1 ZINC001277473359 1097629328 /nfs/dbraw/zinc/62/93/28/1097629328.db2.gz DELYFXJNEGDYIC-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001277473886 1097630593 /nfs/dbraw/zinc/63/05/93/1097630593.db2.gz LSDDSNVUZLDTSP-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@H](C)CCC)C2)CC1 ZINC001277482967 1097658719 /nfs/dbraw/zinc/65/87/19/1097658719.db2.gz QUNSGJRXOUNDNX-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001231062714 1097658972 /nfs/dbraw/zinc/65/89/72/1097658972.db2.gz SCCLKGKKPXWMNV-SJORKVTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231084441 1097664910 /nfs/dbraw/zinc/66/49/10/1097664910.db2.gz BBOUZVYVNFVUJU-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001231101314 1097669199 /nfs/dbraw/zinc/66/91/99/1097669199.db2.gz BCQXNIAWQGQOFS-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231245921 1097701852 /nfs/dbraw/zinc/70/18/52/1097701852.db2.gz BXYWJWXVOQTXPO-HOTGVXAUSA-N 0 3 312.523 3.265 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001231248438 1097702673 /nfs/dbraw/zinc/70/26/73/1097702673.db2.gz WAPQXRTVBGGIGH-INIZCTEOSA-N 0 3 319.424 3.113 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231255258 1097704109 /nfs/dbraw/zinc/70/41/09/1097704109.db2.gz LAPVRRAAZRGMTE-HZPDHXFCSA-N 0 3 314.539 3.489 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C[C@H](C)C(C)(C)C ZINC001174572004 1097764270 /nfs/dbraw/zinc/76/42/70/1097764270.db2.gz SZUMLUBYHSPBEB-NSHDSACASA-N 0 3 319.287 3.063 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCc2ccccc2C1 ZINC001174588519 1097769752 /nfs/dbraw/zinc/76/97/52/1097769752.db2.gz ZRTJZISUNAVMFC-HNNXBMFYSA-N 0 3 320.864 3.030 20 30 DGEDHN C(#Cc1ccccc1CN1CC[C@H]2OCC[C@H]21)c1ccccc1 ZINC001231577562 1097782586 /nfs/dbraw/zinc/78/25/86/1097782586.db2.gz XOHCWHBWRSSPMO-NHCUHLMSSA-N 0 3 303.405 3.450 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001174672480 1097795483 /nfs/dbraw/zinc/79/54/83/1097795483.db2.gz OHFVZTLJVYVEJY-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN C#Cc1cccc(CN2CCC(c3nc(CCC)no3)CC2)c1 ZINC001231662839 1097808334 /nfs/dbraw/zinc/80/83/34/1097808334.db2.gz JMIZWKPDQGGLCK-UHFFFAOYSA-N 0 3 309.413 3.383 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C)nc1C)C2 ZINC001232083888 1097934463 /nfs/dbraw/zinc/93/44/63/1097934463.db2.gz KHOMMBMTXGOIAM-RBUKOAKNSA-N 0 3 316.445 3.025 20 30 DGEDHN COc1ccc(-c2c(CN3CCC[C@H](C#N)CC3)cnn2C)cc1 ZINC001232112697 1097942142 /nfs/dbraw/zinc/94/21/42/1097942142.db2.gz ODACXCAMVXLEOP-HNNXBMFYSA-N 0 3 324.428 3.221 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001175083114 1097942205 /nfs/dbraw/zinc/94/22/05/1097942205.db2.gz VLMWXWZTIAESLO-KBXCAEBGSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCN(CC=C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203515 1097963075 /nfs/dbraw/zinc/96/30/75/1097963075.db2.gz XENMOYXWEPQOHE-UHFFFAOYSA-N 0 3 306.837 3.351 20 30 DGEDHN N#Cc1cccc(N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506682 1098077050 /nfs/dbraw/zinc/07/70/50/1098077050.db2.gz CKIQIPZTUCYFEQ-UHFFFAOYSA-N 0 3 304.397 3.342 20 30 DGEDHN CCC1(C(=O)N(C)[C@@H](CNCC#Cc2ccccc2)C2CC2)CC1 ZINC001277692344 1098102165 /nfs/dbraw/zinc/10/21/65/1098102165.db2.gz AOTBNFRWOXUBIW-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C#C[C@H]1CCCN(Cc2c(Cl)c3ccccc3n(C)c2=O)C1 ZINC001232644238 1098106039 /nfs/dbraw/zinc/10/60/39/1098106039.db2.gz VVNAXFCITGICAB-ZDUSSCGKSA-N 0 3 314.816 3.037 20 30 DGEDHN CN(Cc1ccc(Br)c(C#N)c1)C[C@@H]1CCCCO1 ZINC001232895571 1098167089 /nfs/dbraw/zinc/16/70/89/1098167089.db2.gz PCCRMYLRNOPKCN-AWEZNQCLSA-N 0 3 323.234 3.322 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)nc3C)cc2)CC1 ZINC001175782698 1098170035 /nfs/dbraw/zinc/17/00/35/1098170035.db2.gz COCJRNCYMZLXDQ-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cc3O)cc2)CC1 ZINC001175782942 1098170290 /nfs/dbraw/zinc/17/02/90/1098170290.db2.gz ZIMLWZFWBSRXPN-UHFFFAOYSA-N 0 3 322.412 3.149 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cnc(C)cc1C)C2 ZINC001233007726 1098200790 /nfs/dbraw/zinc/20/07/90/1098200790.db2.gz ZZRFEXNNRAGDQF-MOPGFXCFSA-N 0 3 316.445 3.025 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001233080476 1098220487 /nfs/dbraw/zinc/22/04/87/1098220487.db2.gz MWLMQUCVECFQCA-UHFFFAOYSA-N 0 3 306.356 3.257 20 30 DGEDHN COC(=O)c1ccc(C2CN(Cc3ccc(C#N)cc3C)C2)cc1 ZINC001233083464 1098222199 /nfs/dbraw/zinc/22/21/99/1098222199.db2.gz LUWNYNBRFJMBLZ-UHFFFAOYSA-N 0 3 320.392 3.253 20 30 DGEDHN CCCCCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001277759607 1098223403 /nfs/dbraw/zinc/22/34/03/1098223403.db2.gz LRVCBAJAFVYHNF-CQSZACIVSA-N 0 3 319.424 3.214 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1sncc1C)C2 ZINC001233319718 1098287294 /nfs/dbraw/zinc/28/72/94/1098287294.db2.gz ZHHFXRHZGYYBGG-SJORKVTESA-N 0 3 322.474 3.025 20 30 DGEDHN C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)C(C)(C)C ZINC001176285690 1098299308 /nfs/dbraw/zinc/29/93/08/1098299308.db2.gz OVIRTGJWEUGTKN-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CCC ZINC001233488162 1098348133 /nfs/dbraw/zinc/34/81/33/1098348133.db2.gz CRIVCEYHZSOVAU-JTHGQSKGSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001233491180 1098349931 /nfs/dbraw/zinc/34/99/31/1098349931.db2.gz VVYNSXNLQWAEAS-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233610189 1098389838 /nfs/dbraw/zinc/38/98/38/1098389838.db2.gz FIFRAGITJWPGBK-HOCLYGCPSA-N 0 3 304.434 3.397 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H]1CCCCO1 ZINC001233675480 1098404703 /nfs/dbraw/zinc/40/47/03/1098404703.db2.gz YVQJIZSLKKPBQN-ZWKOTPCHSA-N 0 3 324.509 3.449 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001176727188 1098413931 /nfs/dbraw/zinc/41/39/31/1098413931.db2.gz FLDHCVONSWQQIR-UHFFFAOYSA-N 0 3 324.896 3.297 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1 ZINC001233801597 1098433443 /nfs/dbraw/zinc/43/34/43/1098433443.db2.gz QZXMVKPKVBSGHV-HKUYNNGSSA-N 0 3 312.457 3.474 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1sccc1C(C)C ZINC001176835013 1098442471 /nfs/dbraw/zinc/44/24/71/1098442471.db2.gz DBRALPBRVFOLJU-UHFFFAOYSA-N 0 3 300.855 3.334 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC001233856045 1098443755 /nfs/dbraw/zinc/44/37/55/1098443755.db2.gz CSGRPWYJPYJXQG-HNNXBMFYSA-N 0 3 307.438 3.100 20 30 DGEDHN C=C(Br)CN1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001176887453 1098447864 /nfs/dbraw/zinc/44/78/64/1098447864.db2.gz RQNXHDFVKCDJLA-KGLIPLIRSA-N 0 3 301.272 3.090 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H](CC)c1ccccc1 ZINC001233914852 1098456634 /nfs/dbraw/zinc/45/66/34/1098456634.db2.gz GTAYDVALGYBVMK-RBUKOAKNSA-N 0 3 312.457 3.474 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCOCC1 ZINC001233926587 1098459083 /nfs/dbraw/zinc/45/90/83/1098459083.db2.gz OZMJYQIUPGZXGQ-ROUUACIJSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001233938001 1098462710 /nfs/dbraw/zinc/46/27/10/1098462710.db2.gz SDUAIFRQYYLTTM-OAHLLOKOSA-N 0 3 321.490 3.344 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1cc(C)ccc1C ZINC001233948457 1098464893 /nfs/dbraw/zinc/46/48/93/1098464893.db2.gz WCXJVFHTNCCGSE-IBGZPJMESA-N 0 3 312.457 3.140 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1CC(OCC)C1 ZINC001234079455 1098491153 /nfs/dbraw/zinc/49/11/53/1098491153.db2.gz XOZCSBYZYFEABA-ADKAHSJRSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205513 1098513708 /nfs/dbraw/zinc/51/37/08/1098513708.db2.gz IWYQDNJHLPYWJP-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#C[C@H](Oc1c(F)cc(CN(C)C)cc1OC)c1ccncc1 ZINC001234241187 1098520474 /nfs/dbraw/zinc/52/04/74/1098520474.db2.gz PIAUPEOGULMKGX-INIZCTEOSA-N 0 3 314.360 3.044 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001234403695 1098548255 /nfs/dbraw/zinc/54/82/55/1098548255.db2.gz XYZNJMHMKRPOOJ-XMTFNYHQSA-N 0 3 302.462 3.088 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001234554499 1098597651 /nfs/dbraw/zinc/59/76/51/1098597651.db2.gz KRIBZMATYKGBKQ-CQSZACIVSA-N 0 3 318.864 3.438 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001234500916 1098571836 /nfs/dbraw/zinc/57/18/36/1098571836.db2.gz ZEVDTFYCEILJSS-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C/c1ccc(C)cc1 ZINC001177663562 1098573640 /nfs/dbraw/zinc/57/36/40/1098573640.db2.gz RATOHVAXCONFDE-HWKANZROSA-N 0 3 306.837 3.247 20 30 DGEDHN CC(=O)c1ccsc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904428 1098643284 /nfs/dbraw/zinc/64/32/84/1098643284.db2.gz PJSABDYCUAETTI-JTQLQIEISA-N 0 3 304.396 3.333 20 30 DGEDHN Cc1nc2ccccn2c1NC(=O)C(C#N)Cc1cccs1 ZINC001177904635 1098643394 /nfs/dbraw/zinc/64/33/94/1098643394.db2.gz QTNFEGHCFSXBJN-GFCCVEGCSA-N 0 3 310.382 3.025 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C1CCCCC1 ZINC001178046536 1098687388 /nfs/dbraw/zinc/68/73/88/1098687388.db2.gz MRPSUSXYAIEOJH-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN C/C=C(/C)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001178149612 1098724647 /nfs/dbraw/zinc/72/46/47/1098724647.db2.gz XVYXNMIXNRUKKJ-XFQLMFQHSA-N 0 3 313.445 3.291 20 30 DGEDHN C#CCCCC(=O)NCCCCCCNCc1ncc(C)s1 ZINC001178327253 1098796065 /nfs/dbraw/zinc/79/60/65/1098796065.db2.gz ATJRCEFLWYMHMQ-UHFFFAOYSA-N 0 3 321.490 3.021 20 30 DGEDHN CCC[C@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178376099 1098798160 /nfs/dbraw/zinc/79/81/60/1098798160.db2.gz VWHGNMRASPUGPF-LNLFQRSKSA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235105109 1098805597 /nfs/dbraw/zinc/80/55/97/1098805597.db2.gz IMSJUKIWYSOYCP-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC1(c2ccccc2)CC1 ZINC001235106887 1098808016 /nfs/dbraw/zinc/80/80/16/1098808016.db2.gz SHIVRRXIAOACSF-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235194753 1098871042 /nfs/dbraw/zinc/87/10/42/1098871042.db2.gz YCDIFONJVLUXQD-KRWDZBQOSA-N 0 3 324.509 3.306 20 30 DGEDHN C=C(C)CCC(=O)NCCCCCCNCc1nccs1 ZINC001178596704 1098880870 /nfs/dbraw/zinc/88/08/70/1098880870.db2.gz WGXCGHGJRJJDFA-UHFFFAOYSA-N 0 3 309.479 3.266 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@@H]1C ZINC001178802396 1098935006 /nfs/dbraw/zinc/93/50/06/1098935006.db2.gz IJHKANYJGFRSGU-GUYCJALGSA-N 0 3 322.399 3.400 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001235378261 1098987822 /nfs/dbraw/zinc/98/78/22/1098987822.db2.gz YPPLNKHOIQKVDI-SFHVURJKSA-N 0 3 324.509 3.306 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179360111 1099081350 /nfs/dbraw/zinc/08/13/50/1099081350.db2.gz OTNKGDLEANCENC-STQMWFEESA-N 0 3 317.260 3.078 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001179380459 1099086619 /nfs/dbraw/zinc/08/66/19/1099086619.db2.gz JQXHQASETHIQSG-SNPRPXQTSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001235551550 1099086700 /nfs/dbraw/zinc/08/67/00/1099086700.db2.gz UVIVVSCSDFFOST-QWUACUGRSA-N 0 3 312.457 3.284 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3ccc(F)c(C#N)c3)c2)CC1 ZINC001235892961 1099238431 /nfs/dbraw/zinc/23/84/31/1099238431.db2.gz FRYVZFGHDVVFDJ-UHFFFAOYSA-N 0 3 311.360 3.232 20 30 DGEDHN Cc1nc(-c2cccc(CN3CCCCC3)c2F)cnc1C#N ZINC001236005221 1099327244 /nfs/dbraw/zinc/32/72/44/1099327244.db2.gz MCFLLVHXHNRUKB-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)Cc1ccc(Cl)cc1)N1CCCC1 ZINC001180576755 1099449533 /nfs/dbraw/zinc/44/95/33/1099449533.db2.gz BAVXRKZIVXICFM-AWEZNQCLSA-N 0 3 319.836 3.067 20 30 DGEDHN N#CCc1nccnc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236469265 1099628253 /nfs/dbraw/zinc/62/82/53/1099628253.db2.gz HZDLMIKBWONWEN-MSOLQXFVSA-N 0 3 316.408 3.363 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001187993576 1099652399 /nfs/dbraw/zinc/65/23/99/1099652399.db2.gz BXIXRTVRNYBKEP-SWBVGFSZSA-N 0 3 318.848 3.289 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3ccc(C#N)cc3F)c2)CC1 ZINC001236527786 1099662183 /nfs/dbraw/zinc/66/21/83/1099662183.db2.gz PQQRWHQKYFEUBE-UHFFFAOYSA-N 0 3 311.360 3.232 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc3ccoc32)C1 ZINC001236742974 1099767696 /nfs/dbraw/zinc/76/76/96/1099767696.db2.gz OALFZBIMPSVAMU-MRXNPFEDSA-N 0 3 314.385 3.309 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001273565271 1099802943 /nfs/dbraw/zinc/80/29/43/1099802943.db2.gz CVRHYQKSKGOFFB-SFHVURJKSA-N 0 3 306.494 3.397 20 30 DGEDHN CN(Cc1ccc(C#N)c(Br)c1)C[C@@H]1CCCCO1 ZINC001236863916 1099840886 /nfs/dbraw/zinc/84/08/86/1099840886.db2.gz PPHWHLJQGSDOSN-AWEZNQCLSA-N 0 3 323.234 3.322 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1cccc(-n2cncn2)c1 ZINC001236884405 1099851356 /nfs/dbraw/zinc/85/13/56/1099851356.db2.gz ATDGZAMRYCRFJU-UHFFFAOYSA-N 0 3 304.397 3.456 20 30 DGEDHN CCCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001188869570 1099878159 /nfs/dbraw/zinc/87/81/59/1099878159.db2.gz JMJWQCXPWORDPX-GOSISDBHSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC=C(C)C)[C@@H]2C1 ZINC001189212903 1099994219 /nfs/dbraw/zinc/99/42/19/1099994219.db2.gz QAUKWNRLMBHLNF-OKZBNKHCSA-N 0 3 304.478 3.478 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001189278717 1099995959 /nfs/dbraw/zinc/99/59/59/1099995959.db2.gz ALPFMTSOIQXIQU-INIZCTEOSA-N 0 3 306.837 3.339 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCN(CC)C2)c1 ZINC001189281495 1099998967 /nfs/dbraw/zinc/99/89/67/1099998967.db2.gz IYEMMVORGQIHEJ-QGZVFWFLSA-N 0 3 315.461 3.348 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C)C2)c1 ZINC001189274833 1100015675 /nfs/dbraw/zinc/01/56/75/1100015675.db2.gz LOAXHGASDRPSOL-KRWDZBQOSA-N 0 3 315.461 3.348 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC001273577622 1100015758 /nfs/dbraw/zinc/01/57/58/1100015758.db2.gz CTJYSTBPYZKNEU-UHFFFAOYSA-N 0 3 314.473 3.059 20 30 DGEDHN O=C1C=C2CN(Cc3cnc(-c4ccccc4)o3)CCC2S1 ZINC001237362709 1100094639 /nfs/dbraw/zinc/09/46/39/1100094639.db2.gz DOTGYZVVOWFBEF-HNNXBMFYSA-N 0 3 312.394 3.116 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC001281852584 1100123605 /nfs/dbraw/zinc/12/36/05/1100123605.db2.gz CXHMRTLSHBVOQQ-AWEZNQCLSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CCCN(Cc1ccccc1)Cc1ccc(C(=O)OC)nc1 ZINC001237447327 1100127299 /nfs/dbraw/zinc/12/72/99/1100127299.db2.gz ZCWYIMYLUDYRLP-UHFFFAOYSA-N 0 3 310.397 3.447 20 30 DGEDHN Cn1cc(CN2CCC3(CCCOC3)CC2)c2cc(C#N)ccc21 ZINC001237472077 1100136295 /nfs/dbraw/zinc/13/62/95/1100136295.db2.gz DCACIVBMIRKAOC-UHFFFAOYSA-N 0 3 323.440 3.443 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189903030 1100158442 /nfs/dbraw/zinc/15/84/42/1100158442.db2.gz RWTCUCRGYLTUOU-VSRDTVRMSA-N 0 3 310.441 3.036 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C)C2 ZINC001110421718 1100197136 /nfs/dbraw/zinc/19/71/36/1100197136.db2.gz KSSHVDGOIGYJCM-OAGGEKHMSA-N 0 3 319.449 3.289 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001191439810 1100467733 /nfs/dbraw/zinc/46/77/33/1100467733.db2.gz JVXSMWVJCFPMCX-QZTJIDSGSA-N 0 3 322.493 3.009 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@H]1C ZINC001278252167 1100475848 /nfs/dbraw/zinc/47/58/48/1100475848.db2.gz STTQGAHQTHZZNE-QAPCUYQASA-N 0 3 316.420 3.017 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001281953534 1100517412 /nfs/dbraw/zinc/51/74/12/1100517412.db2.gz XSAFYEBIWJUWHR-GOSISDBHSA-N 0 3 304.478 3.459 20 30 DGEDHN CCc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1C#N ZINC001238768904 1100523796 /nfs/dbraw/zinc/52/37/96/1100523796.db2.gz NRURNJUENYANLB-LJQANCHMSA-N 0 3 307.397 3.169 20 30 DGEDHN CCc1cc(CN2CC[C@@H](Oc3cccnc3)C2)ccc1C#N ZINC001238773029 1100526596 /nfs/dbraw/zinc/52/65/96/1100526596.db2.gz TYNASDKONNXREQ-LJQANCHMSA-N 0 3 307.397 3.169 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001191838618 1100532181 /nfs/dbraw/zinc/53/21/81/1100532181.db2.gz KHJOOAKCCANLAN-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccncc1-c1ccccc1 ZINC001191908379 1100535551 /nfs/dbraw/zinc/53/55/51/1100535551.db2.gz CCKPAOCNUBLEDL-KRWDZBQOSA-N 0 3 321.424 3.129 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cc1O ZINC001192341470 1100606315 /nfs/dbraw/zinc/60/63/15/1100606315.db2.gz XYWKOAXIVALHSE-HNNXBMFYSA-N 0 3 316.445 3.070 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)[C@H]1C ZINC001278293289 1100625029 /nfs/dbraw/zinc/62/50/29/1100625029.db2.gz LLFZCVLWOIBTEL-CXAGYDPISA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192688778 1100652075 /nfs/dbraw/zinc/65/20/75/1100652075.db2.gz ZTWSAKLXGIOLHQ-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H](N(C)CCOCC)C2)CCCCC1 ZINC001192825842 1100667143 /nfs/dbraw/zinc/66/71/43/1100667143.db2.gz LVZXLGLDESNRQL-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193478679 1100750163 /nfs/dbraw/zinc/75/01/63/1100750163.db2.gz OUNXDMFZDWMIRJ-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2cc(C)ccc2C)C1 ZINC001194174263 1100881726 /nfs/dbraw/zinc/88/17/26/1100881726.db2.gz PWMCQOJGJBLJNE-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCOC(=O)N(C)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001194304543 1100909295 /nfs/dbraw/zinc/90/92/95/1100909295.db2.gz KSVCQVCQTXYKNJ-DOTOQJQBSA-N 0 3 302.418 3.151 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001194335751 1100925434 /nfs/dbraw/zinc/92/54/34/1100925434.db2.gz BPNSHHCTXXTAJZ-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001194335750 1100925458 /nfs/dbraw/zinc/92/54/58/1100925458.db2.gz BPNSHHCTXXTAJZ-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cccc(CC#N)c3)c2)CC1 ZINC001240293077 1100928138 /nfs/dbraw/zinc/92/81/38/1100928138.db2.gz ZDKQZZBCDBVKNG-UHFFFAOYSA-N 0 3 305.425 3.167 20 30 DGEDHN COc1nc(C2=CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001240385993 1100969412 /nfs/dbraw/zinc/96/94/12/1100969412.db2.gz VDHPZEHPSIFIRC-UHFFFAOYSA-N 0 3 305.381 3.251 20 30 DGEDHN Cc1cccc([C@H](O)CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC001194791268 1101004666 /nfs/dbraw/zinc/00/46/66/1101004666.db2.gz IHIAHUCFYRZZPF-HXUWFJFHSA-N 0 3 324.424 3.049 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001194889496 1101040814 /nfs/dbraw/zinc/04/08/14/1101040814.db2.gz MXMYEPUKBAUHJP-UHFFFAOYSA-N 0 3 320.481 3.090 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001195226018 1101102079 /nfs/dbraw/zinc/10/20/79/1101102079.db2.gz LQMRTRZLCIRVFW-UHFFFAOYSA-N 0 3 311.429 3.168 20 30 DGEDHN C=CCCCCN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC001195241626 1101104209 /nfs/dbraw/zinc/10/42/09/1101104209.db2.gz IMYQJOPLFZTZDB-IBGZPJMESA-N 0 3 312.457 3.392 20 30 DGEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001195271595 1101109077 /nfs/dbraw/zinc/10/90/77/1101109077.db2.gz NRRLWVRXLUBLLI-KZNAEPCWSA-N 0 3 324.509 3.111 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2oc(C)nc2C)CC1 ZINC001195410665 1101128976 /nfs/dbraw/zinc/12/89/76/1101128976.db2.gz AZPKJNKAOWEYJE-UHFFFAOYSA-N 0 3 321.465 3.410 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001195487891 1101147324 /nfs/dbraw/zinc/14/73/24/1101147324.db2.gz JNDVMLDVORXMHR-KRWDZBQOSA-N 0 3 310.482 3.060 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001195487892 1101148437 /nfs/dbraw/zinc/14/84/37/1101148437.db2.gz JNDVMLDVORXMHR-QGZVFWFLSA-N 0 3 310.482 3.060 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)[C@@H](CC)SC)CC1 ZINC001195489198 1101148510 /nfs/dbraw/zinc/14/85/10/1101148510.db2.gz YMXDNTMIIYHGEP-MRXNPFEDSA-N 0 3 312.523 3.409 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2csnc2C)CC1 ZINC001195524974 1101154883 /nfs/dbraw/zinc/15/48/83/1101154883.db2.gz OXMIZKQTBKYXQM-UHFFFAOYSA-N 0 3 321.490 3.346 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001195924010 1101222810 /nfs/dbraw/zinc/22/28/10/1101222810.db2.gz QGXPGYRFGUYLJU-IAGOWNOFSA-N 0 3 324.509 3.089 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(CC)s2)C1=O ZINC001273727940 1101382289 /nfs/dbraw/zinc/38/22/89/1101382289.db2.gz ZPGSWAWESSEPIP-SFHVURJKSA-N 0 3 318.486 3.454 20 30 DGEDHN C#CCCCCCC(=O)N1CCCN(CCCCCF)CC1 ZINC001196771708 1101396585 /nfs/dbraw/zinc/39/65/85/1101396585.db2.gz XSXJBZMKJYTGDB-UHFFFAOYSA-N 0 3 310.457 3.244 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196830630 1101402661 /nfs/dbraw/zinc/40/26/61/1101402661.db2.gz MENPKPGKCBXQAO-MSOLQXFVSA-N 0 3 314.473 3.222 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCCc2ccc(F)cc2)CC1 ZINC001197252950 1101509842 /nfs/dbraw/zinc/50/98/42/1101509842.db2.gz BKUJMBKYMNASEO-UHFFFAOYSA-N 0 3 318.436 3.259 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001197300892 1101521661 /nfs/dbraw/zinc/52/16/61/1101521661.db2.gz VDRWKLQJUNRVOL-CQSZACIVSA-N 0 3 317.433 3.055 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001197348437 1101537174 /nfs/dbraw/zinc/53/71/74/1101537174.db2.gz FPLOSNYTCRLBNP-SFHVURJKSA-N 0 3 319.452 3.480 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2oc(C(C)C)nc2C)CC1 ZINC001197388184 1101553903 /nfs/dbraw/zinc/55/39/03/1101553903.db2.gz BDAWWEYNETZNKH-UHFFFAOYSA-N 0 3 319.449 3.221 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1COC(C)(C)C ZINC001197630591 1101632656 /nfs/dbraw/zinc/63/26/56/1101632656.db2.gz RNLYUWACOQBJTM-MRXNPFEDSA-N 0 3 302.418 3.346 20 30 DGEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001197715934 1101636678 /nfs/dbraw/zinc/63/66/78/1101636678.db2.gz NXEBQXISBINGDQ-KZNAEPCWSA-N 0 3 324.509 3.111 20 30 DGEDHN CN(C)C[C@H](NC(=S)Nc1cccc(C#N)c1)c1ccccc1 ZINC001197723743 1101651393 /nfs/dbraw/zinc/65/13/93/1101651393.db2.gz ONIZAQRLDAIMQL-KRWDZBQOSA-N 0 3 324.453 3.148 20 30 DGEDHN CCN1CCN(c2ccc(-c3nc(C)cc(C)c3C#N)cc2)CC1 ZINC001241737769 1101669178 /nfs/dbraw/zinc/66/91/78/1101669178.db2.gz IDLXYPVDYSHOQN-UHFFFAOYSA-N 0 3 320.440 3.379 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccc(C#N)c(C)n3)cc2)CC1 ZINC001241740801 1101671788 /nfs/dbraw/zinc/67/17/88/1101671788.db2.gz RIFWWMUPODCREM-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN C#Cc1cccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001241918569 1101779105 /nfs/dbraw/zinc/77/91/05/1101779105.db2.gz CHJOUHLJMXWEHQ-OAHLLOKOSA-N 0 3 319.364 3.074 20 30 DGEDHN CC(C)c1noc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC001203904696 1101849665 /nfs/dbraw/zinc/84/96/65/1101849665.db2.gz ADUCJIBDKMGVAK-MRXNPFEDSA-N 0 3 310.401 3.444 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CCCCOC)CC2)CCCC1 ZINC001198423601 1101850632 /nfs/dbraw/zinc/85/06/32/1101850632.db2.gz RQPKBBXDMINEFB-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)C(C)(C)F)c1ccccc1OC ZINC001198480758 1101885237 /nfs/dbraw/zinc/88/52/37/1101885237.db2.gz CJXLKAPSTDHRJH-OAHLLOKOSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198553000 1101917119 /nfs/dbraw/zinc/91/71/19/1101917119.db2.gz HAKUZJXTGFIOFX-INIZCTEOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCCC(C)C)c1ccccc1OC ZINC001198605655 1101925155 /nfs/dbraw/zinc/92/51/55/1101925155.db2.gz KHPLKFQYQRITBQ-QGZVFWFLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1OC ZINC001198648435 1101940889 /nfs/dbraw/zinc/94/08/89/1101940889.db2.gz VLGHMISEYQAIHK-RHSMWYFYSA-N 0 3 316.445 3.064 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198677158 1101955355 /nfs/dbraw/zinc/95/53/55/1101955355.db2.gz IKKYGQCEOUYOSY-QGZVFWFLSA-N 0 3 316.445 3.044 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198856526 1102003367 /nfs/dbraw/zinc/00/33/67/1102003367.db2.gz JAWYPAOVDPUZMD-KRWDZBQOSA-N 0 3 316.445 3.044 20 30 DGEDHN C=CCCCC(=O)NC[C@H](NCCC=C)c1ccccc1OC ZINC001198875584 1102018065 /nfs/dbraw/zinc/01/80/65/1102018065.db2.gz CMXLHTKOIKXKRH-KRWDZBQOSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198915794 1102027074 /nfs/dbraw/zinc/02/70/74/1102027074.db2.gz BCFMGIHFUIMDGR-INIZCTEOSA-N 0 3 318.461 3.453 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539414 1102171391 /nfs/dbraw/zinc/17/13/91/1102171391.db2.gz RVYBUGBPHKHVTJ-QOJCHSLYSA-N 0 3 322.452 3.191 20 30 DGEDHN Cc1ccc(C#N)cc1-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001242543739 1102199769 /nfs/dbraw/zinc/19/97/69/1102199769.db2.gz IWRODXQQWGDXHU-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccccc2)C1 ZINC001494866698 1102268277 /nfs/dbraw/zinc/26/82/77/1102268277.db2.gz BKGDYECAIZPSJM-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN Cc1cc(-c2cccc3cc([C@@H]4CNCCO4)cn32)ccc1C#N ZINC001242768155 1102331405 /nfs/dbraw/zinc/33/14/05/1102331405.db2.gz RXXLYOOUGMIATI-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)CC)C2 ZINC001273841553 1102371358 /nfs/dbraw/zinc/37/13/58/1102371358.db2.gz UMPKNHGIODGFIH-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCCN1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001201762491 1102722712 /nfs/dbraw/zinc/72/27/12/1102722712.db2.gz MRBULQVFRFNBGP-GOSISDBHSA-N 0 3 323.481 3.044 20 30 DGEDHN CCCCCCCCN1CCCn2nnc(COCC)c2C1 ZINC001201814962 1102732024 /nfs/dbraw/zinc/73/20/24/1102732024.db2.gz URSIWTDSQNPKMY-UHFFFAOYSA-N 0 3 308.470 3.381 20 30 DGEDHN C=CCCCNCc1ccc(F)cc1I ZINC001202258826 1102901158 /nfs/dbraw/zinc/90/11/58/1102901158.db2.gz IWQBEGAKDLHASM-UHFFFAOYSA-N 0 3 319.161 3.486 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc(/C=N/O)c(F)c3)c2)CC1 ZINC001243671263 1102905842 /nfs/dbraw/zinc/90/58/42/1102905842.db2.gz WAQSWDAKVWZTAS-DEDYPNTBSA-N 0 3 313.376 3.053 20 30 DGEDHN C/C(=N\O)c1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1 ZINC001243673200 1102907919 /nfs/dbraw/zinc/90/79/19/1102907919.db2.gz MYANDPWWZPBLLO-HMMYKYKNSA-N 0 3 309.413 3.304 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc(OCCC#N)cc3)c2)CC1 ZINC001243671686 1102908700 /nfs/dbraw/zinc/90/87/00/1102908700.db2.gz XCSMFOWVDAJQJM-UHFFFAOYSA-N 0 3 321.424 3.398 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C2 ZINC001111070558 1103034535 /nfs/dbraw/zinc/03/45/35/1103034535.db2.gz IBDIEIQQJNRWIA-YSTOQKLRSA-N 0 3 324.468 3.171 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)Cc1ccccc1)C2 ZINC001111079784 1103037789 /nfs/dbraw/zinc/03/77/89/1103037789.db2.gz WXDFJRXPMPFCMJ-NMLBUPMWSA-N 0 3 324.468 3.000 20 30 DGEDHN C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC001325563189 1103067823 /nfs/dbraw/zinc/06/78/23/1103067823.db2.gz DIXPIYNAPJLSOK-FSZRXZPDSA-N 0 3 305.466 3.226 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@@H]2CCN2CCCOC)CCCCC1 ZINC001488669603 1103100430 /nfs/dbraw/zinc/10/04/30/1103100430.db2.gz DTVYZRQQVRIOHU-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001488680336 1103106610 /nfs/dbraw/zinc/10/66/10/1103106610.db2.gz VTEMTJOSDCAJCY-LJQANCHMSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCc1ccc(F)cc1 ZINC001488663307 1103119974 /nfs/dbraw/zinc/11/99/74/1103119974.db2.gz OLZINDQCXVCGNZ-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001488746530 1103158080 /nfs/dbraw/zinc/15/80/80/1103158080.db2.gz CDQUDGNHQLUMQM-KCQAQPDRSA-N 0 3 300.874 3.296 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1(C=C)CCCCC1 ZINC001325922668 1103164441 /nfs/dbraw/zinc/16/44/41/1103164441.db2.gz SXPWHEFXJLLUEL-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC2CC2)C1 ZINC001488890747 1103190174 /nfs/dbraw/zinc/19/01/74/1103190174.db2.gz YKVBHHKNDDNLDL-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN N#CC1(c2cccc(-c3ccc4c(c3)COC43CNC3)c2)CC1 ZINC001244074305 1103190480 /nfs/dbraw/zinc/19/04/80/1103190480.db2.gz BDOHRZBPGMVARG-UHFFFAOYSA-N 0 3 302.377 3.237 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001488976535 1103228139 /nfs/dbraw/zinc/22/81/39/1103228139.db2.gz WSCSIMNZIKEOOZ-ZUPDTJCQSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccn1 ZINC001488988145 1103233122 /nfs/dbraw/zinc/23/31/22/1103233122.db2.gz OIWPQZUUJSUZSB-XJKSGUPXSA-N 0 3 321.852 3.055 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC1(C)C ZINC001326458744 1103324391 /nfs/dbraw/zinc/32/43/91/1103324391.db2.gz SAZAYVXIWHSLJJ-GOSISDBHSA-N 0 3 312.457 3.194 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2[nH]c(C)cc2C)cc1 ZINC001326467506 1103328826 /nfs/dbraw/zinc/32/88/26/1103328826.db2.gz 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CC#CCN1CCC[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001327173232 1103565655 /nfs/dbraw/zinc/56/56/55/1103565655.db2.gz OQKDBTWDEGIHMZ-MWGFUINXSA-N 0 3 324.468 3.392 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC001490421198 1103617650 /nfs/dbraw/zinc/61/76/50/1103617650.db2.gz HLEGEDSAJCVROZ-UHFFFAOYSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCC(=O)N1CCC(CC)(NCc2csc(C)n2)CC1 ZINC001327434801 1103641736 /nfs/dbraw/zinc/64/17/36/1103641736.db2.gz DGTPCCRMJRWPPF-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001490599233 1103673855 /nfs/dbraw/zinc/67/38/55/1103673855.db2.gz QEPXQVGWFGXOPD-SMTIMMHKSA-N 0 3 322.452 3.084 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001490605517 1103676949 /nfs/dbraw/zinc/67/69/49/1103676949.db2.gz GDUHTICBROEPQE-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2scnc2C)CC1 ZINC001490608657 1103678933 /nfs/dbraw/zinc/67/89/33/1103678933.db2.gz 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C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1C ZINC001329451170 1104269886 /nfs/dbraw/zinc/26/98/86/1104269886.db2.gz RREZDYXMLGDSKU-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001329502063 1104289236 /nfs/dbraw/zinc/28/92/36/1104289236.db2.gz VNPQHQUEIPBIDH-NSHDSACASA-N 0 3 305.809 3.057 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)CCc2ccccc2F)C1 ZINC001329539096 1104307585 /nfs/dbraw/zinc/30/75/85/1104307585.db2.gz FSPHTJOXNJECAF-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2cccc3sccc32)C1=O ZINC001274462612 1104392329 /nfs/dbraw/zinc/39/23/29/1104392329.db2.gz HOMOKHYGCRDWGS-IBGZPJMESA-N 0 3 324.449 3.101 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)ccc1Cl ZINC001274492922 1104397117 /nfs/dbraw/zinc/39/71/17/1104397117.db2.gz XAJZNZVKTSGKEL-IAGOWNOFSA-N 0 3 318.848 3.400 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2conc2C)CCCCC1 ZINC001329846563 1104398229 /nfs/dbraw/zinc/39/82/29/1104398229.db2.gz URSGGCRVYGRQHD-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/61/86/50/1104618650.db2.gz DPZNADNVKSOBFD-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN CCCCCCCCN1CC2(CCN2CCn2ccnc2)C1 ZINC001275130623 1104640795 /nfs/dbraw/zinc/64/07/95/1104640795.db2.gz CPHVPXZUIIIXDB-UHFFFAOYSA-N 0 3 304.482 3.004 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CCC)c1ccccn1 ZINC001275135598 1104643694 /nfs/dbraw/zinc/64/36/94/1104643694.db2.gz LFUNBHFIQLJKQK-SJORKVTESA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1F ZINC001275160153 1104658464 /nfs/dbraw/zinc/65/84/64/1104658464.db2.gz KHXAKDDKWBBGSP-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001275175560 1104664771 /nfs/dbraw/zinc/66/47/71/1104664771.db2.gz IZMHHKMNIYTPCN-IEBWSBKVSA-N 0 3 314.473 3.282 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](CC)CC(C)C)CCC[C@@H]12 ZINC001278466897 1104683785 /nfs/dbraw/zinc/68/37/85/1104683785.db2.gz MBEAXWBWAPYROH-ZHALLVOQSA-N 0 3 304.478 3.195 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](CC)CC(C)C)CCC[C@@H]12 ZINC001278466896 1104684424 /nfs/dbraw/zinc/68/44/24/1104684424.db2.gz MBEAXWBWAPYROH-YQVWRLOYSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC(C)(C)c3ccccc3)CCC[C@H]12 ZINC001278467764 1104697700 /nfs/dbraw/zinc/69/77/00/1104697700.db2.gz UVNHTEWYJURTPQ-GHTZIAJQSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C(CC)(CC)CC)C1 ZINC001275299380 1104711956 /nfs/dbraw/zinc/71/19/56/1104711956.db2.gz SQZTUSYLIBTQHV-UHFFFAOYSA-N 0 3 300.874 3.440 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001275472955 1104770963 /nfs/dbraw/zinc/77/09/63/1104770963.db2.gz YJATVPUCYGSLMM-JKSUJKDBSA-N 0 3 318.436 3.311 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001275480045 1104772191 /nfs/dbraw/zinc/77/21/91/1104772191.db2.gz FJGXXXCEGJQLGQ-NWDGAFQWSA-N 0 3 309.479 3.099 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001275621845 1104835090 /nfs/dbraw/zinc/83/50/90/1104835090.db2.gz JDGBIPPWYOOAIO-MRXNPFEDSA-N 0 3 318.436 3.286 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1c(CC)oc2ccccc21 ZINC001275727925 1104882112 /nfs/dbraw/zinc/88/21/12/1104882112.db2.gz ARSPCDZHQNGPGW-ZDUSSCGKSA-N 0 3 300.402 3.231 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001275818060 1104920745 /nfs/dbraw/zinc/92/07/45/1104920745.db2.gz GPDZQRPVAJYIJR-UONOGXRCSA-N 0 3 322.399 3.266 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001275897222 1104947329 /nfs/dbraw/zinc/94/73/29/1104947329.db2.gz JFTSDVLQHKYVSV-CYBMUJFWSA-N 0 3 308.853 3.489 20 30 DGEDHN CCCCCCCOc1ccc(-c2noc([C@@H](N)CN)n2)cc1 ZINC001247693101 1104957495 /nfs/dbraw/zinc/95/74/95/1104957495.db2.gz WSEKKGXBQDTLJC-HNNXBMFYSA-N 0 3 318.421 3.044 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001275929002 1104959219 /nfs/dbraw/zinc/95/92/19/1104959219.db2.gz WGUBHSXNWSIWKW-CVEARBPZSA-N 0 3 302.462 3.365 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001275987504 1104979198 /nfs/dbraw/zinc/97/91/98/1104979198.db2.gz SPXVGVQGPFXMJE-DGTBMVLOSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCCCCCCCN1CC2(C1)CN(C(=O)NC(C)C)C2 ZINC001276042826 1105004078 /nfs/dbraw/zinc/00/40/78/1105004078.db2.gz IKYYKQKWOVRWKA-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1C)C2 ZINC001095453831 1105014222 /nfs/dbraw/zinc/01/42/22/1105014222.db2.gz FFGAQRTVWGJQBL-COXVUDFISA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001276245293 1105060706 /nfs/dbraw/zinc/06/07/06/1105060706.db2.gz FAVKVPDDRGZRHN-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCC1 ZINC001276251988 1105062438 /nfs/dbraw/zinc/06/24/38/1105062438.db2.gz XROKYCNKSXRXGE-HXUWFJFHSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C(F)F)cc1C)C2 ZINC001095567724 1105083462 /nfs/dbraw/zinc/08/34/62/1105083462.db2.gz XPBQXIGRHFQQBD-AGIUHOORSA-N 0 3 324.371 3.437 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cccnc31)C2 ZINC001095703647 1105099721 /nfs/dbraw/zinc/09/97/21/1105099721.db2.gz TWORIUXKIBTSQB-NJAFHUGGSA-N 0 3 321.424 3.146 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(Cl)cc3C)no2)CCCN1 ZINC001249352658 1105272139 /nfs/dbraw/zinc/27/21/39/1105272139.db2.gz DMRQGQVCTJPSIT-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc4ccccc4c3)no2)CCCN1 ZINC001249351852 1105272253 /nfs/dbraw/zinc/27/22/53/1105272253.db2.gz MFHOFMRWVOXHDK-LJQANCHMSA-N 0 3 303.365 3.492 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc3c2CCC3)C1 ZINC001249459510 1105291956 /nfs/dbraw/zinc/29/19/56/1105291956.db2.gz XRHJJPKFTOUVCI-KRWDZBQOSA-N 0 3 314.429 3.052 20 30 DGEDHN Cc1sc(N=C2CCC(N3CCOCC3)CC2)c(C#N)c1C ZINC001249552978 1105310635 /nfs/dbraw/zinc/31/06/35/1105310635.db2.gz TYLSPYOVGJZIGN-HNNXBMFYSA-N 0 3 317.458 3.417 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249559882 1105314988 /nfs/dbraw/zinc/31/49/88/1105314988.db2.gz PEZWFUBLYOMHMS-MRXNPFEDSA-N 0 3 317.820 3.392 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CCOC(C)C)[C@@H]2C)CC1 ZINC001278521971 1105332713 /nfs/dbraw/zinc/33/27/13/1105332713.db2.gz SBDXSLJYQBTGQU-AEFFLSMTSA-N 0 3 322.493 3.127 20 30 DGEDHN N#Cc1cccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1F ZINC001249700516 1105359631 /nfs/dbraw/zinc/35/96/31/1105359631.db2.gz YWWQAGXMWJYQBD-DLBZAZTESA-N 0 3 319.399 3.096 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC(C2CC2)C2CC2)[C@@H]1C ZINC001278533681 1105374747 /nfs/dbraw/zinc/37/47/47/1105374747.db2.gz YBYUJYMVEQZLBN-KSSFIOAISA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(F)c1)C2 ZINC001097476083 1105394792 /nfs/dbraw/zinc/39/47/92/1105394792.db2.gz OQUARZRKSRMMFM-OIISXLGYSA-N 0 3 302.393 3.045 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccsc3[nH]1)C2 ZINC001097612623 1105412354 /nfs/dbraw/zinc/41/23/54/1105412354.db2.gz DFRXHBDKXOLJJW-NFAWXSAZSA-N 0 3 315.442 3.141 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C1CCC1)C2 ZINC001097847134 1105452670 /nfs/dbraw/zinc/45/26/70/1105452670.db2.gz VWHPYEGXXQYILS-OIISXLGYSA-N 0 3 313.445 3.193 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(CC)cc1)C2 ZINC001097942643 1105477196 /nfs/dbraw/zinc/47/71/96/1105477196.db2.gz BRDQTOSEUAYMPH-QRVBRYPASA-N 0 3 312.457 3.089 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001490894767 1105552189 /nfs/dbraw/zinc/55/21/89/1105552189.db2.gz QPFFITBPYFRLLK-XYPYZODXSA-N 0 3 305.249 3.145 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccc(F)c(C#N)c3)cc2)CC1 ZINC001250636266 1105552323 /nfs/dbraw/zinc/55/23/23/1105552323.db2.gz ZDXQXAOUMRFXMX-UHFFFAOYSA-N 0 3 309.388 3.112 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(C)cccn3c1)C2 ZINC001098206431 1105562235 /nfs/dbraw/zinc/56/22/35/1105562235.db2.gz ADNKEICRJWWJDA-KURKYZTESA-N 0 3 323.440 3.159 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)C2 ZINC001098244263 1105562993 /nfs/dbraw/zinc/56/29/93/1105562993.db2.gz DSGLZJRCUUSERD-ZRSRNVLSSA-N 0 3 310.441 3.088 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC3CCC1CC3)C2 ZINC001098470368 1105578167 /nfs/dbraw/zinc/57/81/67/1105578167.db2.gz LQQSKYNZRQMJGN-IMGJYBRMSA-N 0 3 302.462 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c3c1CCC3)C2 ZINC001098475487 1105579593 /nfs/dbraw/zinc/57/95/93/1105579593.db2.gz IDUFXCVFQDRAQV-YSGRDPCXSA-N 0 3 324.468 3.395 20 30 DGEDHN C=C[C@@H](NC[C@@H](O)COc1cccc(F)c1)c1ccccc1 ZINC001250835471 1105592101 /nfs/dbraw/zinc/59/21/01/1105592101.db2.gz NSSAXUKYCFGWEA-SJLPKXTDSA-N 0 3 301.361 3.082 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2Cl)C1 ZINC001098810614 1105605923 /nfs/dbraw/zinc/60/59/23/1105605923.db2.gz XZAXSWUXKHQFLO-LRDDRELGSA-N 0 3 308.809 3.093 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001098944492 1105615882 /nfs/dbraw/zinc/61/58/82/1105615882.db2.gz GXUMGGQHIWPEHZ-YJBOKZPZSA-N 0 3 318.848 3.419 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CCC ZINC001098974831 1105621035 /nfs/dbraw/zinc/62/10/35/1105621035.db2.gz AFVIKYDLZVQYGN-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001099013421 1105627939 /nfs/dbraw/zinc/62/79/39/1105627939.db2.gz MWXSYNNESZZPOO-YJBOKZPZSA-N 0 3 318.848 3.419 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001099049738 1105635473 /nfs/dbraw/zinc/63/54/73/1105635473.db2.gz WZGRMZFAEWUAND-IPLXSBJHSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001099106951 1105642421 /nfs/dbraw/zinc/64/24/21/1105642421.db2.gz TUIBAHDRIKSHMT-UONOGXRCSA-N 0 3 316.436 3.461 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(=C)C ZINC001099097897 1105642640 /nfs/dbraw/zinc/64/26/40/1105642640.db2.gz HCUJKCXPLAQDEL-QGZVFWFLSA-N 0 3 322.493 3.152 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCC(C)(C)CN2CC(=C)C)CCC1 ZINC001099106454 1105642684 /nfs/dbraw/zinc/64/26/84/1105642684.db2.gz GJJFRPBWPKSVDA-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2Cl)C1 ZINC001099133261 1105647968 /nfs/dbraw/zinc/64/79/68/1105647968.db2.gz MNUPRZDRQJTHOA-GUYCJALGSA-N 0 3 304.821 3.110 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001099144184 1105649039 /nfs/dbraw/zinc/64/90/39/1105649039.db2.gz BDJJARNOELTFAJ-ULQDDVLXSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC(F)F ZINC001099144996 1105649420 /nfs/dbraw/zinc/64/94/20/1105649420.db2.gz PYWDRDWDWRXZNL-UONOGXRCSA-N 0 3 316.436 3.461 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001099244790 1105661142 /nfs/dbraw/zinc/66/11/42/1105661142.db2.gz DCAOGQCBHCTFTP-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC2(C)CCCC2)C[C@H]1C(F)(F)F ZINC001099247997 1105661405 /nfs/dbraw/zinc/66/14/05/1105661405.db2.gz QCEALUIORFFYNH-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cccc1 ZINC001099310169 1105667375 /nfs/dbraw/zinc/66/73/75/1105667375.db2.gz IVDCCWFIXGTAFR-IAGOWNOFSA-N 0 3 317.477 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC001099324404 1105668745 /nfs/dbraw/zinc/66/87/45/1105668745.db2.gz LHTGVENJSGQGEJ-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCOCC(=O)NC[C@H]1CCC(C)(C)CN1CC=C(C)C ZINC001099364995 1105673096 /nfs/dbraw/zinc/67/30/96/1105673096.db2.gz UOQGCBHWFXSMGD-QGZVFWFLSA-N 0 3 322.493 3.152 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001278637128 1105694154 /nfs/dbraw/zinc/69/41/54/1105694154.db2.gz VOSHLAPTMAOFLB-HXUWFJFHSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1 ZINC001278645555 1105743459 /nfs/dbraw/zinc/74/34/59/1105743459.db2.gz RIDYMKBBKDEARO-INIZCTEOSA-N 0 3 315.461 3.011 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001252126186 1105745142 /nfs/dbraw/zinc/74/51/42/1105745142.db2.gz MODRACPNVMBSJU-CVEARBPZSA-N 0 3 311.491 3.372 20 30 DGEDHN CCCCCCCC[C@H](O)CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001252125371 1105745465 /nfs/dbraw/zinc/74/54/65/1105745465.db2.gz CGOCZWNKGLVANZ-ZNMIVQPWSA-N 0 3 305.409 3.064 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001491114260 1105754205 /nfs/dbraw/zinc/75/42/05/1105754205.db2.gz NYJSTXBNNMSJHW-INIZCTEOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001491114261 1105754670 /nfs/dbraw/zinc/75/46/70/1105754670.db2.gz NYJSTXBNNMSJHW-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CNCc2nc(C)sc2C)C1 ZINC001491143300 1105762668 /nfs/dbraw/zinc/76/26/68/1105762668.db2.gz SVLNQSDDAIJQPS-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001278662448 1105772104 /nfs/dbraw/zinc/77/21/04/1105772104.db2.gz SCPZOCJJOOEUCK-SFHVURJKSA-N 0 3 324.468 3.077 20 30 DGEDHN C=CC1(CC(=O)N2C[C@@H](NCCF)C(C)(C)C2)CCCCC1 ZINC001278673326 1105797462 /nfs/dbraw/zinc/79/74/62/1105797462.db2.gz RLOSPCGLAKHRLM-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001252602819 1105800569 /nfs/dbraw/zinc/80/05/69/1105800569.db2.gz XIJHFFPEGDIHLU-IBGZPJMESA-N 0 3 316.489 3.433 20 30 DGEDHN C=CCC[C@H](O)CNCc1cncn1Cc1ccc(Cl)cc1 ZINC001252622495 1105806265 /nfs/dbraw/zinc/80/62/65/1105806265.db2.gz WJRHXEPETBEDJK-KRWDZBQOSA-N 0 3 319.836 3.002 20 30 DGEDHN CCCC(=O)NC1CCC(NCc2cc(F)ccc2C#N)CC1 ZINC001491339572 1105808342 /nfs/dbraw/zinc/80/83/42/1105808342.db2.gz FDNIKXSJVWDQQU-UHFFFAOYSA-N 0 3 317.408 3.014 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001278676833 1105816227 /nfs/dbraw/zinc/81/62/27/1105816227.db2.gz BAWRNBKAVNALJZ-HXUWFJFHSA-N 0 3 323.440 3.023 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001278681356 1105825736 /nfs/dbraw/zinc/82/57/36/1105825736.db2.gz DXPTZXOJONPGQN-OALUTQOASA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC001491441327 1105827620 /nfs/dbraw/zinc/82/76/20/1105827620.db2.gz LPJYLDKCYBCXCA-CXAGYDPISA-N 0 3 322.399 3.314 20 30 DGEDHN C[C@@H](CNC(=O)CC(C)(C)C1CC1)NCc1ccc(C#N)s1 ZINC001491447182 1105828565 /nfs/dbraw/zinc/82/85/65/1105828565.db2.gz IPIPFKUOOUJFPZ-LBPRGKRZSA-N 0 3 319.474 3.040 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ccc(Cl)c(F)c1 ZINC001491451303 1105829126 /nfs/dbraw/zinc/82/91/26/1105829126.db2.gz FCMJONBAVYKBNL-LBPRGKRZSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@](C)(CC)CCC)C1 ZINC001100794148 1105848866 /nfs/dbraw/zinc/84/88/66/1105848866.db2.gz JBBOJNJNRXSKGZ-ZBCRRDGASA-N 0 3 300.874 3.440 20 30 DGEDHN CCCC[C@@H](CC)COC[C@H](O)CNCC#Cc1ccccc1 ZINC001253027296 1105879856 /nfs/dbraw/zinc/87/98/56/1105879856.db2.gz WEORHDOOPQOLMH-UYAOXDASSA-N 0 3 317.473 3.222 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1cncn1CC1CC1 ZINC001253255115 1105912572 /nfs/dbraw/zinc/91/25/72/1105912572.db2.gz WFHKTMCDJCZMIS-GOSISDBHSA-N 0 3 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COC(=O)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC001254676667 1106131748 /nfs/dbraw/zinc/13/17/48/1106131748.db2.gz MWRIQHASVZDNTG-HPBDAGMYSA-N 0 3 312.413 3.305 20 30 DGEDHN CCCN(CCC#N)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254911550 1106154553 /nfs/dbraw/zinc/15/45/53/1106154553.db2.gz TUZBPBKISPJYIU-MUJYYYPQSA-N 0 3 321.465 3.258 20 30 DGEDHN CC[C@H](CC#N)NCC1(c2cccc(OC)c2)CCOCC1 ZINC001255160099 1106194118 /nfs/dbraw/zinc/19/41/18/1106194118.db2.gz FWTBRARQFFEQQL-MRXNPFEDSA-N 0 3 302.418 3.025 20 30 DGEDHN CC[C@@H](CC#N)N(CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255172796 1106198228 /nfs/dbraw/zinc/19/82/28/1106198228.db2.gz GIGXCWYUSTWLQU-AWEZNQCLSA-N 0 3 309.454 3.400 20 30 DGEDHN CC[C@H](CC#N)N(CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255172797 1106198707 /nfs/dbraw/zinc/19/87/07/1106198707.db2.gz GIGXCWYUSTWLQU-CQSZACIVSA-N 0 3 309.454 3.400 20 30 DGEDHN CC[C@H](CC#N)N(CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255178525 1106200456 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C#CCN(CC#C)[C@H](C)CCc1ccc(Br)cc1 ZINC001256229519 1106393395 /nfs/dbraw/zinc/39/33/95/1106393395.db2.gz RHCIESJZVRSYOB-CQSZACIVSA-N 0 3 304.231 3.339 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC001256401696 1106415384 /nfs/dbraw/zinc/41/53/84/1106415384.db2.gz KXWIUAXNRXQLLO-GOSISDBHSA-N 0 3 306.365 3.122 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(CC)CC1)c1ccccc1CC ZINC001278969371 1106498401 /nfs/dbraw/zinc/49/84/01/1106498401.db2.gz IVUGPSYGYCSTJX-KRWDZBQOSA-N 0 3 300.446 3.372 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)/C=C(\C)C1CC1)c1ccccc1CC ZINC001278969690 1106498751 /nfs/dbraw/zinc/49/87/51/1106498751.db2.gz OLVNVHCZYPRXBD-VISDOYDDSA-N 0 3 324.468 3.376 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cncc(C)c1)c1ccccc1CC ZINC001278969922 1106499596 /nfs/dbraw/zinc/49/95/96/1106499596.db2.gz SUQIJRLQCGHHRB-LJQANCHMSA-N 0 3 323.440 3.199 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1occc1C)c1ccccc1CC ZINC001278970347 1106499762 /nfs/dbraw/zinc/49/97/62/1106499762.db2.gz ZULCTFHFSSUADD-GOSISDBHSA-N 0 3 324.424 3.234 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CC1(F)F)c1ccccc1CC ZINC001278970169 1106499872 /nfs/dbraw/zinc/49/98/72/1106499872.db2.gz XPZFEQRIZKVUPH-HZPDHXFCSA-N 0 3 322.399 3.227 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cc(C)ns1)C(C)(C)C ZINC001278990648 1106538556 /nfs/dbraw/zinc/53/85/56/1106538556.db2.gz UCYYFJWAKXWDGU-CQSZACIVSA-N 0 3 323.506 3.284 20 30 DGEDHN CC[C@@H]1C[C@H](N2CC(CC#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257131479 1106542979 /nfs/dbraw/zinc/54/29/79/1106542979.db2.gz ZZXHHZFHQOTXCY-HUUCEWRRSA-N 0 3 307.438 3.010 20 30 DGEDHN CCOC(=O)c1ccc(C[C@@H](C)N2CCC(C#N)CC2)cc1 ZINC001257157351 1106546206 /nfs/dbraw/zinc/54/62/06/1106546206.db2.gz GSOFFISENMZIBB-CQSZACIVSA-N 0 3 300.402 3.030 20 30 DGEDHN CCCCCCCCCC[C@@H](C)N(C)S(=O)(=O)CCN ZINC001257548638 1106604282 /nfs/dbraw/zinc/60/42/82/1106604282.db2.gz WSRDRHKHSBXFRD-OAHLLOKOSA-N 0 3 306.516 3.126 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257577902 1106608847 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IZBPEWPFSGYCNV-SJLPKXTDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001317211392 1107132553 /nfs/dbraw/zinc/13/25/53/1107132553.db2.gz YXZPEAOKMAXQOG-FUHWJXTLSA-N 0 3 315.461 3.155 20 30 DGEDHN C[C@@H](CNC(=O)C1CCCCCC1)NCc1ccc(C#N)s1 ZINC001317227899 1107152290 /nfs/dbraw/zinc/15/22/90/1107152290.db2.gz CPOFHBBVFJUBHM-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCN(CCOC)CCc1ccc(OC(F)(F)F)cc1 ZINC001320844755 1107160758 /nfs/dbraw/zinc/16/07/58/1107160758.db2.gz FDDQBKRKGYJKPN-UHFFFAOYSA-N 0 3 303.324 3.262 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2ccnc(Cl)c2)CCC1 ZINC001317266749 1107188392 /nfs/dbraw/zinc/18/83/92/1107188392.db2.gz RHHCWXSHOXZBLZ-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C/CNCc1ccc(C(F)F)cc1 ZINC001321054524 1107235285 /nfs/dbraw/zinc/23/52/85/1107235285.db2.gz NAJLDNMKZHAXOM-ONEGZZNKSA-N 0 3 320.383 3.046 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C\CNCc1ccc(C(F)F)cc1 ZINC001321054522 1107235292 /nfs/dbraw/zinc/23/52/92/1107235292.db2.gz NAJLDNMKZHAXOM-ARJAWSKDSA-N 0 3 320.383 3.046 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(F)cc1C ZINC001321186365 1107278762 /nfs/dbraw/zinc/27/87/62/1107278762.db2.gz NLVAPWDXKUYBTC-SREVYHEPSA-N 0 3 304.409 3.108 20 30 DGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC001321242161 1107300521 /nfs/dbraw/zinc/30/05/21/1107300521.db2.gz UWCWCPUOBILERD-CMPLNLGQSA-N 0 3 301.333 3.148 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccc(C#N)c1C ZINC001321269824 1107307576 /nfs/dbraw/zinc/30/75/76/1107307576.db2.gz ZBMVCRUFNRXYSA-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@@H](C)NCc1nc(C)c(C)s1 ZINC001317393610 1107308913 /nfs/dbraw/zinc/30/89/13/1107308913.db2.gz BLCJWYMBQLLSNN-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001317408198 1107328696 /nfs/dbraw/zinc/32/86/96/1107328696.db2.gz LVKWTHYWZZLIGF-IMJJTQAJSA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H](C)C(C)(F)F ZINC001317434809 1107362336 /nfs/dbraw/zinc/36/23/36/1107362336.db2.gz LTIBNRMAZSBUBB-QWHCGFSZSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cccc2c1CCCCC2 ZINC001317453313 1107399902 /nfs/dbraw/zinc/39/99/02/1107399902.db2.gz OEPVKMGNCYXTNZ-UHFFFAOYSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cccc(C(F)F)c1F ZINC001317478492 1107431801 /nfs/dbraw/zinc/43/18/01/1107431801.db2.gz MKTIGKBHBSPDIZ-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)C/C=C\c1ccccc1 ZINC001317485541 1107442950 /nfs/dbraw/zinc/44/29/50/1107442950.db2.gz VVOKVUBCIWMGFK-RAXLEYEMSA-N 0 3 300.446 3.350 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001321831715 1107444423 /nfs/dbraw/zinc/44/44/23/1107444423.db2.gz MPQZSCHSZGGOBF-KBPBESRZSA-N 0 3 306.837 3.299 20 30 DGEDHN CCCC1(C(=O)NCCN(CC)Cc2ccc(C#N)cc2)CC1 ZINC001317486518 1107445301 /nfs/dbraw/zinc/44/53/01/1107445301.db2.gz YRSBCPGSUSOWCZ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CCCCC1 ZINC001321969020 1107475271 /nfs/dbraw/zinc/47/52/71/1107475271.db2.gz PYKRFKGNGGUJGY-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1oc2c(cccc2F)c1C ZINC001322176527 1107556081 /nfs/dbraw/zinc/55/60/81/1107556081.db2.gz PWWOWRLFDOHZGT-LLVKDONJSA-N 0 3 304.365 3.116 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(CC)cc1 ZINC001322222525 1107576536 /nfs/dbraw/zinc/57/65/36/1107576536.db2.gz GKUYHDVCGUCDHC-QGZVFWFLSA-N 0 3 314.473 3.379 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)C/C=C/c2ccccc2)C1 ZINC001322243661 1107587852 /nfs/dbraw/zinc/58/78/52/1107587852.db2.gz HCFYTTJXPVHVOX-YRYLYKBFSA-N 0 3 312.457 3.493 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001322268516 1107602537 /nfs/dbraw/zinc/60/25/37/1107602537.db2.gz DICQQICONUUUJR-CRAIPNDOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC001317720645 1107622015 /nfs/dbraw/zinc/62/20/15/1107622015.db2.gz JUFZHNIURDNUCM-IBGZPJMESA-N 0 3 319.408 3.415 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC001317723052 1107623849 /nfs/dbraw/zinc/62/38/49/1107623849.db2.gz CMMZYGIJEBLBPT-ZACQAIPSSA-N 0 3 310.397 3.016 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC001317726817 1107625126 /nfs/dbraw/zinc/62/51/26/1107625126.db2.gz DDHKTLAQZJPCNZ-XLIONFOSSA-N 0 3 320.436 3.261 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001317769429 1107651616 /nfs/dbraw/zinc/65/16/16/1107651616.db2.gz DCNCSRNXGUSBRO-HSALFYBXSA-N 0 3 324.468 3.126 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001317940040 1107754907 /nfs/dbraw/zinc/75/49/07/1107754907.db2.gz AXXJJIYWSCJMIM-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001317969045 1107771452 /nfs/dbraw/zinc/77/14/52/1107771452.db2.gz OKAPFSVRXLOLFI-IBGZPJMESA-N 0 3 324.468 3.304 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1scnc1C)C1CC1 ZINC001323064085 1107821539 /nfs/dbraw/zinc/82/15/39/1107821539.db2.gz OSWQTXWRYXXNCB-PBHICJAKSA-N 0 3 321.490 3.038 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccc1 ZINC001318192470 1107887602 /nfs/dbraw/zinc/88/76/02/1107887602.db2.gz AWEFBZOSKOXYHS-SQNIBIBYSA-N 0 3 317.477 3.305 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)CC(C)C)C1 ZINC001318214858 1107901953 /nfs/dbraw/zinc/90/19/53/1107901953.db2.gz AYEBSPQJRFJIEY-PVAVHDDUSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)c1ccccc1 ZINC001318223778 1107905610 /nfs/dbraw/zinc/90/56/10/1107905610.db2.gz KVBADPPOMRGTFB-NEWSRXKRSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC2CCC1CC2 ZINC001318228333 1107906939 /nfs/dbraw/zinc/90/69/39/1107906939.db2.gz IVQVVVRILJECSU-NUUXYWTLSA-N 0 3 302.462 3.064 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001318326766 1107943569 /nfs/dbraw/zinc/94/35/69/1107943569.db2.gz STCBSFFCFMDZES-LJQANCHMSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccccc2F)CC1 ZINC001318333246 1107946908 /nfs/dbraw/zinc/94/69/08/1107946908.db2.gz OWZFAROLWPAQBG-UHFFFAOYSA-N 0 3 319.424 3.008 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC001263133923 1107956975 /nfs/dbraw/zinc/95/69/75/1107956975.db2.gz HPCOZHAUPCTKRY-SQNIBIBYSA-N 0 3 324.509 3.482 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001263152616 1107962339 /nfs/dbraw/zinc/96/23/39/1107962339.db2.gz NTHULULXHGIOJD-SFHVURJKSA-N 0 3 313.445 3.478 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001318371155 1107964595 /nfs/dbraw/zinc/96/45/95/1107964595.db2.gz NQWYGEBEBMALJH-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(CC1CC1)c1ccc(OC)cc1 ZINC001263171116 1107965716 /nfs/dbraw/zinc/96/57/16/1107965716.db2.gz HGIYXLWNKJFTMI-KRWDZBQOSA-N 0 3 302.418 3.122 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001318428647 1107998374 /nfs/dbraw/zinc/99/83/74/1107998374.db2.gz LNLVRFSWQLMXBA-QGZVFWFLSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001323540259 1108003973 /nfs/dbraw/zinc/00/39/73/1108003973.db2.gz KXKJQKNKKVVPKD-SFHVURJKSA-N 0 3 318.436 3.475 20 30 DGEDHN CCc1ccc(CN2CC[C@@H](N(CC)C(=O)C#CC3CC3)C2)cc1 ZINC001318469852 1108032593 /nfs/dbraw/zinc/03/25/93/1108032593.db2.gz GRUBYALSVGVYJE-HXUWFJFHSA-N 0 3 324.468 3.085 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCCC)C1 ZINC001323639198 1108036557 /nfs/dbraw/zinc/03/65/57/1108036557.db2.gz YGJGDWRHYLSPHR-ZWKOTPCHSA-N 0 3 304.478 3.293 20 30 DGEDHN CC(=O)Nc1ccc([C@H](C)NCc2cccc(OCC#N)c2)cc1 ZINC001323647377 1108042011 /nfs/dbraw/zinc/04/20/11/1108042011.db2.gz SCUDMHMFEJBPEO-AWEZNQCLSA-N 0 3 323.396 3.398 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001323776361 1108080002 /nfs/dbraw/zinc/08/00/02/1108080002.db2.gz PYKLAGYITFSJAW-HDICACEKSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C3(CCCC)CC3)C2)CC1 ZINC001323832582 1108098130 /nfs/dbraw/zinc/09/81/30/1108098130.db2.gz PCWSGJDYBGTBNZ-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1scnc1C ZINC001318571006 1108102900 /nfs/dbraw/zinc/10/29/00/1108102900.db2.gz UBBJKFPSMMWIBY-CZUORRHYSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@](C)(CNCc1cncs1)C1CC1 ZINC001318697808 1108158113 /nfs/dbraw/zinc/15/81/13/1108158113.db2.gz BUJGKRSJZRFWLN-KRWDZBQOSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CCNCc2ocnc2C)C1 ZINC001318824490 1108208018 /nfs/dbraw/zinc/20/80/18/1108208018.db2.gz IJZQSULVYUFJJL-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001318834163 1108210409 /nfs/dbraw/zinc/21/04/09/1108210409.db2.gz CBWANYUDZHOZKF-HNNXBMFYSA-N 0 3 323.868 3.216 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001263820764 1108234308 /nfs/dbraw/zinc/23/43/08/1108234308.db2.gz GPMGFOHDJMYDPV-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccc(C)s1 ZINC001263823197 1108236610 /nfs/dbraw/zinc/23/66/10/1108236610.db2.gz JENNEWJQHMHHCQ-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001263827352 1108239872 /nfs/dbraw/zinc/23/98/72/1108239872.db2.gz ASSMDIZDKIRGMS-NFAWXSAZSA-N 0 3 322.399 3.476 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H]2CCC)cc1 ZINC001318995465 1108268929 /nfs/dbraw/zinc/26/89/29/1108268929.db2.gz DBQMSRMUNVJLDG-OALUTQOASA-N 0 3 312.457 3.242 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001263885689 1108284486 /nfs/dbraw/zinc/28/44/86/1108284486.db2.gz HZHOOZUALGVFQO-YQVWRLOYSA-N 0 3 300.446 3.193 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C(/C)CC)C2)CC1 ZINC001263937197 1108303581 /nfs/dbraw/zinc/30/35/81/1108303581.db2.gz WBMULTYLCMBPDE-VZVUQDNOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C[C@@H](COC)N[C@H]1CCc2c1ccc(F)c2Br ZINC001324543979 1108333440 /nfs/dbraw/zinc/33/34/40/1108333440.db2.gz WXEYZAQBRZVHKX-ZANVPECISA-N 0 3 314.198 3.366 20 30 DGEDHN C=C[C@@H](COC)N[C@@H]1CCc2c1ccc(F)c2Br ZINC001324543978 1108333548 /nfs/dbraw/zinc/33/35/48/1108333548.db2.gz WXEYZAQBRZVHKX-TVQRCGJNSA-N 0 3 314.198 3.366 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001319142810 1108334065 /nfs/dbraw/zinc/33/40/65/1108334065.db2.gz SRSRXCFBFQRDEQ-UHFFFAOYSA-N 0 3 308.441 3.039 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001324633712 1108389120 /nfs/dbraw/zinc/38/91/20/1108389120.db2.gz VWMWGERSMYYMSX-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2c(C)nsc2C)CC1 ZINC001491567985 1108392154 /nfs/dbraw/zinc/39/21/54/1108392154.db2.gz IVAFIAHWCBRYPC-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)[C@H]1C ZINC001264145985 1108400205 /nfs/dbraw/zinc/40/02/05/1108400205.db2.gz QXVFHFRIRSRAHT-MJGOQNOKSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cc(C)ccc2C)C1 ZINC001324647090 1108402234 /nfs/dbraw/zinc/40/22/34/1108402234.db2.gz LKMIJNXEHXAEIL-LJQANCHMSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC001264179557 1108415351 /nfs/dbraw/zinc/41/53/51/1108415351.db2.gz ZPLFFHISISRUKJ-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1nc(C(C)C)oc1C ZINC001264182166 1108417537 /nfs/dbraw/zinc/41/75/37/1108417537.db2.gz IAVGNTWHCPARFD-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001324673300 1108419252 /nfs/dbraw/zinc/41/92/52/1108419252.db2.gz LHCHOOPRYJAZTR-APWZRJJASA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1F ZINC001264184730 1108419939 /nfs/dbraw/zinc/41/99/39/1108419939.db2.gz ZVLOLJABANBIHT-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2C=CC=CC=C2)CCCC1 ZINC001319353853 1108426301 /nfs/dbraw/zinc/42/63/01/1108426301.db2.gz WEFOMKOMEIBEPK-UHFFFAOYSA-N 0 3 306.837 3.056 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)/C=C/C(C)(C)C ZINC001319437772 1108466585 /nfs/dbraw/zinc/46/65/85/1108466585.db2.gz WHNNXRRJFIMRFP-TUQDCPSNSA-N 0 3 312.457 3.077 20 30 DGEDHN C#CCN(Cc1cccc(SC(=O)N(C)C)c1)CC1CC1 ZINC001319446697 1108470851 /nfs/dbraw/zinc/47/08/51/1108470851.db2.gz VADDISKSEZNKRK-UHFFFAOYSA-N 0 3 302.443 3.306 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)cc1F ZINC001319453070 1108474701 /nfs/dbraw/zinc/47/47/01/1108474701.db2.gz DUTNHFIGSOTLND-ZDUSSCGKSA-N 0 3 324.827 3.075 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001264370605 1108478946 /nfs/dbraw/zinc/47/89/46/1108478946.db2.gz GWMXGSOUHSTLOW-AZUAARDMSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001319461218 1108479333 /nfs/dbraw/zinc/47/93/33/1108479333.db2.gz ANMQGKNIGORMNM-CYBMUJFWSA-N 0 3 309.841 3.028 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001264378013 1108492234 /nfs/dbraw/zinc/49/22/34/1108492234.db2.gz BVUDTBNMFHXIOX-DZGCQCFKSA-N 0 3 319.449 3.046 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC2=CCCCC2)C1 ZINC001324921191 1108512764 /nfs/dbraw/zinc/51/27/64/1108512764.db2.gz LJKYBAJZQWZJGO-LJQANCHMSA-N 0 3 302.462 3.119 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001264428367 1108526219 /nfs/dbraw/zinc/52/62/19/1108526219.db2.gz QILWKXBPCKHSCW-CTYIDZIISA-N 0 3 310.869 3.194 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccc(F)cc2)C1 ZINC001324944838 1108527712 /nfs/dbraw/zinc/52/77/12/1108527712.db2.gz UJVVEJNYUFEKHC-IBGZPJMESA-N 0 3 318.436 3.163 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001264446564 1108538384 /nfs/dbraw/zinc/53/83/84/1108538384.db2.gz CTFIZXKALRXQBG-YSIASYRMSA-N 0 3 324.468 3.196 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001319604258 1108551845 /nfs/dbraw/zinc/55/18/45/1108551845.db2.gz VQFRUIXKJHNLRI-KBPBESRZSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)c1ccccc1CC ZINC001325361511 1108632372 /nfs/dbraw/zinc/63/23/72/1108632372.db2.gz HNITVBFYTMDSRJ-HRCADAONSA-N 0 3 322.399 3.083 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@@H](C)OC)[C@@H]2C)CCCCC1 ZINC001264732206 1108635463 /nfs/dbraw/zinc/63/54/63/1108635463.db2.gz ANKWSQYLQPCCEW-ZACQAIPSSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)sc1C ZINC001264741921 1108641413 /nfs/dbraw/zinc/64/14/13/1108641413.db2.gz WTMRZFVUQXVZFL-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cncs1 ZINC001319861434 1108667223 /nfs/dbraw/zinc/66/72/23/1108667223.db2.gz OTHHJZOGFSVRLT-GDBMZVCRSA-N 0 3 321.490 3.216 20 30 DGEDHN CCCCCC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001319898222 1108685615 /nfs/dbraw/zinc/68/56/15/1108685615.db2.gz GSSFUWRQPNROPS-IBGZPJMESA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)sc1C)C(C)C ZINC001319928181 1108697489 /nfs/dbraw/zinc/69/74/89/1108697489.db2.gz JUECDXUPHLAPDG-AWEZNQCLSA-N 0 3 314.882 3.461 20 30 DGEDHN CCN(CC#Cc1cccc(Cl)c1)CCCNC(=O)C(C)C ZINC001265099787 1108733782 /nfs/dbraw/zinc/73/37/82/1108733782.db2.gz MLHWOVZCGOFFTR-UHFFFAOYSA-N 0 3 320.864 3.176 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCC[C@@H]1CCC)C1CC1 ZINC001265167650 1108756938 /nfs/dbraw/zinc/75/69/38/1108756938.db2.gz WWPMTASWYDEVIR-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001265200111 1108772040 /nfs/dbraw/zinc/77/20/40/1108772040.db2.gz JGUBEQJIVQXHMA-MRXNPFEDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001265203545 1108774597 /nfs/dbraw/zinc/77/45/97/1108774597.db2.gz LWJJHSSZGAPIQM-GXTWGEPZSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001265310864 1108821426 /nfs/dbraw/zinc/82/14/26/1108821426.db2.gz WJTACMIAZXMBMI-OAHLLOKOSA-N 0 3 319.449 3.349 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCCCCF)C2)CCCC1 ZINC001265321702 1108826616 /nfs/dbraw/zinc/82/66/16/1108826616.db2.gz OYQIWMSAQOYRKC-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](OCC)C2CC2)CC1 ZINC001265339069 1108833209 /nfs/dbraw/zinc/83/32/09/1108833209.db2.gz VTUNERGLHHOLFQ-GOSISDBHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC(F)F ZINC001265409915 1108866253 /nfs/dbraw/zinc/86/62/53/1108866253.db2.gz COELZIWLQOVDLE-OKILXGFUSA-N 0 3 314.420 3.309 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1 ZINC001265414369 1108867605 /nfs/dbraw/zinc/86/76/05/1108867605.db2.gz HUKWFEZBQDTYSI-HDICACEKSA-N 0 3 316.420 3.010 20 30 DGEDHN C[C@@H](N[C@H]1C[C@@H](NC(=O)C#CC2CC2)C1)c1ccccc1Cl ZINC001265538800 1108903699 /nfs/dbraw/zinc/90/36/99/1108903699.db2.gz MNGAWHBMVMOFLY-YUELXQCFSA-N 0 3 316.832 3.051 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001265572277 1108913740 /nfs/dbraw/zinc/91/37/40/1108913740.db2.gz CVBCPJGBSMGIMC-SOUVJXGZSA-N 0 3 300.874 3.438 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)C2CCCCC2)C1 ZINC001265592626 1108925231 /nfs/dbraw/zinc/92/52/31/1108925231.db2.gz GLOGXWFJVYYHGG-KRWDZBQOSA-N 0 3 318.505 3.444 20 30 DGEDHN Cc1ccc(CN2CCCC[C@@H]2CNC(=O)C#CC(C)C)cc1 ZINC001265644787 1108945943 /nfs/dbraw/zinc/94/59/43/1108945943.db2.gz BQIYWOZAWJIQHZ-LJQANCHMSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC001265656194 1108952840 /nfs/dbraw/zinc/95/28/40/1108952840.db2.gz XZUFCKXTTHAYRC-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1ccc(Cl)nc1 ZINC001265663018 1108956390 /nfs/dbraw/zinc/95/63/90/1108956390.db2.gz BVYVDVGECYZNML-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1cncc(F)c1 ZINC001265671485 1108960241 /nfs/dbraw/zinc/96/02/41/1108960241.db2.gz JCLJOGKKLPGQLP-QGZVFWFLSA-N 0 3 319.424 3.048 20 30 DGEDHN CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001265696953 1108970805 /nfs/dbraw/zinc/97/08/05/1108970805.db2.gz MRGXPAKMPPFLOR-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CC=C)CCCCC2)C1 ZINC001265708098 1108978941 /nfs/dbraw/zinc/97/89/41/1108978941.db2.gz JRYROIPTTZTOHQ-MSOLQXFVSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001265707847 1108979119 /nfs/dbraw/zinc/97/91/19/1108979119.db2.gz GPFIIKRADJLVIJ-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001265812945 1109012093 /nfs/dbraw/zinc/01/20/93/1109012093.db2.gz HPUKJFSPNMKQJN-GJZGRUSLSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001265988969 1109057942 /nfs/dbraw/zinc/05/79/42/1109057942.db2.gz WKZGZSDVRMFOKF-GOEBONIOSA-N 0 3 321.852 3.115 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001266102078 1109090922 /nfs/dbraw/zinc/09/09/22/1109090922.db2.gz BYIXJMSAAFPZID-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC001266103584 1109091332 /nfs/dbraw/zinc/09/13/32/1109091332.db2.gz SZUOVXJRYNADCQ-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1coc2ccccc12 ZINC001266181271 1109117694 /nfs/dbraw/zinc/11/76/94/1109117694.db2.gz ZBZZODCNUKVEBJ-ZDUSSCGKSA-N 0 3 320.820 3.212 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C1CCN(CCOCC(C)C)CC1 ZINC001266183992 1109119148 /nfs/dbraw/zinc/11/91/48/1109119148.db2.gz YYCPPWZIXMKOIH-UHFFFAOYSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@]1(C)CCc2ccccc21 ZINC001266191675 1109121854 /nfs/dbraw/zinc/12/18/54/1109121854.db2.gz HPRFGXRUMUWGAD-KBXCAEBGSA-N 0 3 320.864 3.127 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001266217060 1109130464 /nfs/dbraw/zinc/13/04/64/1109130464.db2.gz XRSVHWOBWAMTRE-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCCCCC ZINC001279589236 1109157225 /nfs/dbraw/zinc/15/72/25/1109157225.db2.gz WRPRHEVQELSEEH-ZWKOTPCHSA-N 0 3 304.478 3.436 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cccc(F)c2)c(F)c1 ZINC001279703652 1109160926 /nfs/dbraw/zinc/16/09/26/1109160926.db2.gz KFDSTIGHRDBQGW-UHFFFAOYSA-N 0 3 316.351 3.170 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCCO1 ZINC001316602265 1109181538 /nfs/dbraw/zinc/18/15/38/1109181538.db2.gz LIBXIIBTXWCZTB-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1 ZINC001280355010 1109189355 /nfs/dbraw/zinc/18/93/55/1109189355.db2.gz WJBMJRRYIUONGJ-QAPCUYQASA-N 0 3 310.441 3.167 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1ccccc1F)CC2 ZINC001280382782 1109195678 /nfs/dbraw/zinc/19/56/78/1109195678.db2.gz GYSMQAYWFODELY-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN CCC[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001280471225 1109209348 /nfs/dbraw/zinc/20/93/48/1109209348.db2.gz ORDAUCCKZUVBQB-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)OC1CCCC1 ZINC001316604245 1109215631 /nfs/dbraw/zinc/21/56/31/1109215631.db2.gz SDILRLIXEOBAIM-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1ccc2c(c1)CN(CC(C)C)C2 ZINC001281298317 1109326229 /nfs/dbraw/zinc/32/62/29/1109326229.db2.gz JGEFKHZRPYEDTF-UHFFFAOYSA-N 0 3 300.446 3.487 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001281678175 1109394287 /nfs/dbraw/zinc/39/42/87/1109394287.db2.gz ZUBGDLQIXHWFJA-CRAIPNDOSA-N 0 3 315.461 3.215 20 30 DGEDHN C#CCCCC(=O)NCC[C@H](C)NCc1ccc(F)cc1Cl ZINC001281707541 1109398640 /nfs/dbraw/zinc/39/86/40/1109398640.db2.gz MOWAGWVKLQQCQO-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001281713797 1109399272 /nfs/dbraw/zinc/39/92/72/1109399272.db2.gz DLRYRPKHMKFHPG-AWEZNQCLSA-N 0 3 324.852 3.163 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)F ZINC001281768710 1109405450 /nfs/dbraw/zinc/40/54/50/1109405450.db2.gz RYVSDBUYPXGOBN-QGZVFWFLSA-N 0 3 318.436 3.416 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)/C=C(\C)C1CC1 ZINC001281901308 1109414144 /nfs/dbraw/zinc/41/41/44/1109414144.db2.gz KUHJMMVQHBFXKP-LQFRORHJSA-N 0 3 310.441 3.291 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCC1CCCC1 ZINC001281897251 1109414218 /nfs/dbraw/zinc/41/42/18/1109414218.db2.gz HVNQWDYMAQLMGN-TZIWHRDSSA-N 0 3 324.468 3.352 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CC=C)CCC1 ZINC001281913150 1109415092 /nfs/dbraw/zinc/41/50/92/1109415092.db2.gz VACUYLKPLDADTJ-RTBURBONSA-N 0 3 322.452 3.128 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001282003225 1109429507 /nfs/dbraw/zinc/42/95/07/1109429507.db2.gz ZNRXNPCQCFDULI-SLTAFYQDSA-N 0 3 310.869 3.194 20 30 DGEDHN CC(C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1)=C1CCC1 ZINC001282128896 1109454438 /nfs/dbraw/zinc/45/44/38/1109454438.db2.gz OYHSXFVGEYQCAB-QWHCGFSZSA-N 0 3 317.458 3.103 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC001282364911 1109494119 /nfs/dbraw/zinc/49/41/19/1109494119.db2.gz SFPDZYQVRBOLMD-HNNXBMFYSA-N 0 3 300.446 3.467 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C(C)C)CCCCC1 ZINC001282623416 1109538379 /nfs/dbraw/zinc/53/83/79/1109538379.db2.gz AQGUNWJINAPZKO-AWEZNQCLSA-N 0 3 300.874 3.440 20 30 DGEDHN CC(C)C(=O)NC[C@H]1CCCCCN1Cc1cccc(C#N)c1 ZINC001282657114 1109544278 /nfs/dbraw/zinc/54/42/78/1109544278.db2.gz ZVRWLVLLJSNUCE-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001282734396 1109558126 /nfs/dbraw/zinc/55/81/26/1109558126.db2.gz OGDVXZGPIAXLBB-KRWDZBQOSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCc2ccc(C)s2)C1 ZINC001282741391 1109560061 /nfs/dbraw/zinc/56/00/61/1109560061.db2.gz SFPJPBWBNWHTQC-AWEZNQCLSA-N 0 3 306.475 3.002 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC001282789767 1109565424 /nfs/dbraw/zinc/56/54/24/1109565424.db2.gz CBMBYVJAZIZGRF-HNNXBMFYSA-N 0 3 321.490 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2cccc(F)c2F)C1 ZINC001283071715 1109591127 /nfs/dbraw/zinc/59/11/27/1109591127.db2.gz NQMFVVDYODTJEI-MQMHXKEQSA-N 0 3 322.399 3.161 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)CC2CCC2)CC1 ZINC001283297180 1109610786 /nfs/dbraw/zinc/61/07/86/1109610786.db2.gz VSCBCQSOBMHDBA-UHFFFAOYSA-N 0 3 324.468 3.151 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001283664899 1109668986 /nfs/dbraw/zinc/66/89/86/1109668986.db2.gz PNCCQUFGCNHQPE-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2OC)[C@@H]1C ZINC001283865559 1109690827 /nfs/dbraw/zinc/69/08/27/1109690827.db2.gz HSNHHEQWCBYEME-DOTOQJQBSA-N 0 3 316.445 3.049 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001316630507 1109699147 /nfs/dbraw/zinc/69/91/47/1109699147.db2.gz VJQFEGGNDYNMHH-JCNLHEQBSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001284132505 1109745076 /nfs/dbraw/zinc/74/50/76/1109745076.db2.gz WBHVPQLRRWKDBI-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN CCCC(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC001284563036 1109812899 /nfs/dbraw/zinc/81/28/99/1109812899.db2.gz WWBHEUHMGHMRRD-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Br)CNC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C ZINC001284644060 1109832252 /nfs/dbraw/zinc/83/22/52/1109832252.db2.gz SKFVTVDZEBXTMZ-LLVKDONJSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001284790262 1109861723 /nfs/dbraw/zinc/86/17/23/1109861723.db2.gz PWTYBIISPFVEIA-MQBCKMQZSA-N 0 3 321.490 3.133 20 30 DGEDHN C=C(C)[C@@H](CC(=O)NCC1=CCN(CC=C(C)C)CC1)OCC ZINC001284920244 1109881005 /nfs/dbraw/zinc/88/10/05/1109881005.db2.gz CIQHHWQLRQVXCV-GOSISDBHSA-N 0 3 320.477 3.072 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001316636906 1109896328 /nfs/dbraw/zinc/89/63/28/1109896328.db2.gz FEUGQYVNANIMLP-KOMQPUFPSA-N 0 3 316.420 3.166 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC#CC)C1 ZINC001316645288 1110164277 /nfs/dbraw/zinc/16/42/77/1110164277.db2.gz QVHRRJCDJBOFSX-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN Cc1cc(F)c(C#N)c(NCCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001307069161 1111261551 /nfs/dbraw/zinc/26/15/51/1111261551.db2.gz QZBMLNLBEPDUQN-GJZGRUSLSA-N 0 3 319.424 3.307 20 30 DGEDHN Cc1cc(NC[C@H]2N(C)CCCC2(C)C)c(C#N)cc1[N+](=O)[O-] ZINC001307113209 1111266784 /nfs/dbraw/zinc/26/67/84/1111266784.db2.gz YHQRXTJZKLLCBV-MRXNPFEDSA-N 0 3 316.405 3.307 20 30 DGEDHN C#CCCN(CCOC)Cc1cc(Br)ccc1C ZINC001307955559 1111360080 /nfs/dbraw/zinc/36/00/80/1111360080.db2.gz BRFFWCCTMDCEBS-UHFFFAOYSA-N 0 3 310.235 3.229 20 30 DGEDHN C=CC[C@@H]1CCN(CCOc2ccc(C(=O)OC)cc2Cl)C1 ZINC001307960622 1111360174 /nfs/dbraw/zinc/36/01/74/1111360174.db2.gz AINOADXEJZQSBZ-CYBMUJFWSA-N 0 3 323.820 3.403 20 30 DGEDHN C=CCCOCCNCc1ccccc1OCC(F)(F)F ZINC001308361033 1111421630 /nfs/dbraw/zinc/42/16/30/1111421630.db2.gz OMNKXPBXZSSDCL-UHFFFAOYSA-N 0 3 303.324 3.310 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(C)o1 ZINC001308947767 1111497878 /nfs/dbraw/zinc/49/78/78/1111497878.db2.gz BETJHYCSDQVQHS-QGZVFWFLSA-N 0 3 310.401 3.240 20 30 DGEDHN C=CCN(CC)CCNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001317487397 1111557168 /nfs/dbraw/zinc/55/71/68/1111557168.db2.gz WPRMOOLCFPWSAW-UHFFFAOYSA-N 0 3 308.853 3.242 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001317530032 1111651312 /nfs/dbraw/zinc/65/13/12/1111651312.db2.gz SCDQNAPWRAJCEZ-RBUKOAKNSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001316947296 1111730626 /nfs/dbraw/zinc/73/06/26/1111730626.db2.gz KBXHRZJGFDXLKD-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(CCF)CC2)C1 ZINC001316773544 1111762759 /nfs/dbraw/zinc/76/27/59/1111762759.db2.gz HRVUMBLBUSYSCE-CQSZACIVSA-N 0 3 316.848 3.240 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1C ZINC001316791850 1111768775 /nfs/dbraw/zinc/76/87/75/1111768775.db2.gz CHNXZRBDHGUFSE-BPQIPLTHSA-N 0 3 300.446 3.191 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000128909763 432002211 /nfs/dbraw/zinc/00/22/11/432002211.db2.gz LUHUNKIKNCUEJJ-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(OC(C)C)c2)CC1 ZINC000278547796 214227853 /nfs/dbraw/zinc/22/78/53/214227853.db2.gz SVYOMPWUZGOYIM-UHFFFAOYSA-N 0 3 314.429 3.066 20 30 DGEDHN C[C@H](c1cccc(Cl)c1)N(C)CCC(=O)N(C)CCC#N ZINC000062014246 432003060 /nfs/dbraw/zinc/00/30/60/432003060.db2.gz JUALYMFRCLOAEK-CYBMUJFWSA-N 0 3 307.825 3.095 20 30 DGEDHN CC[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000278613559 214275750 /nfs/dbraw/zinc/27/57/50/214275750.db2.gz FWKDHMPZOLZVJJ-GOSISDBHSA-N 0 3 313.445 3.390 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ccccc3)CC2)cc1 ZINC000305048100 230943992 /nfs/dbraw/zinc/94/39/92/230943992.db2.gz BPCIDBNMIGIDSL-HXUWFJFHSA-N 0 3 306.409 3.471 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000184095546 529448269 /nfs/dbraw/zinc/44/82/69/529448269.db2.gz WOGZQUJHDKGOLX-ZDUSSCGKSA-N 0 3 319.836 3.226 20 30 DGEDHN CCc1c(C(=O)NC[C@@H]2CCCCN2CC)cnn1C(C)(C)C ZINC000330701224 529470480 /nfs/dbraw/zinc/47/04/80/529470480.db2.gz NSKOWAJJSUOOBU-AWEZNQCLSA-N 0 3 320.481 3.380 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083406320 185222277 /nfs/dbraw/zinc/22/22/77/185222277.db2.gz FUAOKHMFZZZYFX-KXBFYZLASA-N 0 3 314.429 3.279 20 30 DGEDHN CCc1ccccc1CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428805299 529577056 /nfs/dbraw/zinc/57/70/56/529577056.db2.gz MTRAJFZYIAESIK-LJQANCHMSA-N 0 3 321.424 3.211 20 30 DGEDHN CCc1ccccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428812268 529579958 /nfs/dbraw/zinc/57/99/58/529579958.db2.gz ACTUXCXWFHPOLZ-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000122232990 529586900 /nfs/dbraw/zinc/58/69/00/529586900.db2.gz FBQJCTPMELQDBW-HNNXBMFYSA-N 0 3 307.825 3.143 20 30 DGEDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1cc(C#N)ccc1C ZINC000415056337 529610400 /nfs/dbraw/zinc/61/04/00/529610400.db2.gz NYGGSWSGQYTKHI-KRWDZBQOSA-N 0 3 322.412 3.251 20 30 DGEDHN CC[C@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)N(CC)CC ZINC000435445278 529621316 /nfs/dbraw/zinc/62/13/16/529621316.db2.gz DOVZOSUYJKZTDQ-MRXNPFEDSA-N 0 3 317.433 3.404 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000413815207 529718482 /nfs/dbraw/zinc/71/84/82/529718482.db2.gz PUUQYIQIQAUQBI-FSZRXZPDSA-N 0 3 313.445 3.191 20 30 DGEDHN CCc1ccc2nccc(NCCCc3[nH]nc(N)c3C#N)c2c1 ZINC000296580769 529732028 /nfs/dbraw/zinc/73/20/28/529732028.db2.gz RCRAERZJPJVXEI-UHFFFAOYSA-N 0 3 320.400 3.019 20 30 DGEDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(CC#N)cc1 ZINC000352559724 529935339 /nfs/dbraw/zinc/93/53/39/529935339.db2.gz DIWWWGXFZUIWRS-UHFFFAOYSA-N 0 3 309.369 3.335 20 30 DGEDHN COc1ccc([C@H](CNc2cc(C#N)ccn2)N2CCCC2)cc1 ZINC000286720910 219128231 /nfs/dbraw/zinc/12/82/31/219128231.db2.gz DAIPUIWYKQFZMI-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN C=CCCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000279699143 215071809 /nfs/dbraw/zinc/07/18/09/215071809.db2.gz BOONMTJXCHZPNQ-HNNXBMFYSA-N 0 3 321.490 3.226 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@](C)(O)CC2)ccc1OC ZINC000279704571 215077487 /nfs/dbraw/zinc/07/74/87/215077487.db2.gz RRFNJMZFQACOJF-LJQANCHMSA-N 0 3 319.445 3.387 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)c2ccccc2)CC1 ZINC000106037288 432019083 /nfs/dbraw/zinc/01/90/83/432019083.db2.gz BXUQRTYCTSIGKN-GOSISDBHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCOc1ccc(C(=O)NC2CCN(CC(=C)C)CC2)cc1 ZINC000106036861 432019356 /nfs/dbraw/zinc/01/93/56/432019356.db2.gz MBAHHQGPFJUPBF-UHFFFAOYSA-N 0 3 314.429 3.022 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCCC2CCCC2)CC1 ZINC000106256966 432020542 /nfs/dbraw/zinc/02/05/42/432020542.db2.gz XOWMKSGLTCEPKJ-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN[C@@H]2CCCOC2)c1 ZINC000066905913 432024120 /nfs/dbraw/zinc/02/41/20/432024120.db2.gz PHDODRYNTCEZME-LJQANCHMSA-N 0 3 322.408 3.406 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(OCCCC)c2)CC1 ZINC000066922011 432024277 /nfs/dbraw/zinc/02/42/77/432024277.db2.gz QORXUSNMQOQQAD-UHFFFAOYSA-N 0 3 314.429 3.149 20 30 DGEDHN C#CCCCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000150731086 186060810 /nfs/dbraw/zinc/06/08/10/186060810.db2.gz VOLNYKSJQJZFEX-UHFFFAOYSA-N 0 3 314.410 3.432 20 30 DGEDHN CC(C)[C@H](NCC#Cc1ccc(F)cc1)C1(CO)CCCC1 ZINC000459520142 535119835 /nfs/dbraw/zinc/11/98/35/535119835.db2.gz CLPFVRARPJVYTA-SFHVURJKSA-N 0 3 303.421 3.344 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCCCNC2=O)cc1 ZINC000177877852 186197616 /nfs/dbraw/zinc/19/76/16/186197616.db2.gz SKHVJBQLAMUSIP-XJKSGUPXSA-N 0 3 322.836 3.137 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCCCNC2=O)cc1 ZINC000177877866 186197905 /nfs/dbraw/zinc/19/79/05/186197905.db2.gz SKHVJBQLAMUSIP-CZUORRHYSA-N 0 3 322.836 3.137 20 30 DGEDHN COc1ccccc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000067007862 432025984 /nfs/dbraw/zinc/02/59/84/432025984.db2.gz JQAFHJZMNQXMFA-NSHDSACASA-N 0 3 318.423 3.429 20 30 DGEDHN CCN(CC)C(=O)C1(NCc2cccc(C#N)c2)CCCCC1 ZINC000172352689 198084290 /nfs/dbraw/zinc/08/42/90/198084290.db2.gz YHASQNGOIVJEBJ-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN CN(c1ncccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000000021244 180669650 /nfs/dbraw/zinc/66/96/50/180669650.db2.gz SBCCLIZPJSPGNS-UHFFFAOYSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000174009149 198280322 /nfs/dbraw/zinc/28/03/22/198280322.db2.gz RCQGYJQTBYTYKN-YOEHRIQHSA-N 0 3 305.381 3.014 20 30 DGEDHN CN(CCC#N)C(=O)CCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000131841595 432039763 /nfs/dbraw/zinc/03/97/63/432039763.db2.gz DDABLVXVZYUWOA-KRWDZBQOSA-N 0 3 319.424 3.265 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000339064609 283067236 /nfs/dbraw/zinc/06/72/36/283067236.db2.gz OSDDMCCLEMHJSG-YOEHRIQHSA-N 0 3 310.397 3.239 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166151442 432058639 /nfs/dbraw/zinc/05/86/39/432058639.db2.gz PHZSDDCSWFSOFZ-CHWSQXEVSA-N 0 3 302.846 3.364 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@H]2CCCCO2)ccc1OC ZINC000237183052 202178228 /nfs/dbraw/zinc/17/82/28/202178228.db2.gz JEOOIMRJCBKLSF-INIZCTEOSA-N 0 3 305.418 3.309 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC000179248183 199004815 /nfs/dbraw/zinc/00/48/15/199004815.db2.gz FKHDPCSQFNZVQF-AWEZNQCLSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C[C@H](CC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000179367500 199022097 /nfs/dbraw/zinc/02/20/97/199022097.db2.gz QEOUNFQXBSWAPJ-BHIYHBOVSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000179747887 199075703 /nfs/dbraw/zinc/07/57/03/199075703.db2.gz NDWWQDJPKRTNOF-INIZCTEOSA-N 0 3 306.475 3.441 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000180478265 199164009 /nfs/dbraw/zinc/16/40/09/199164009.db2.gz LWXKOFMMMLWJDA-HZPDHXFCSA-N 0 3 315.461 3.131 20 30 DGEDHN CNC(=O)OC[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000496622178 283378305 /nfs/dbraw/zinc/37/83/05/283378305.db2.gz IXEPQJAWBFIPCX-HNNXBMFYSA-N 0 3 307.438 3.061 20 30 DGEDHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000134502183 432078340 /nfs/dbraw/zinc/07/83/40/432078340.db2.gz JSOCLMPRCVFNNX-SFHVURJKSA-N 0 3 312.388 3.470 20 30 DGEDHN N#Cc1cccc(C#N)c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000430494559 238078330 /nfs/dbraw/zinc/07/83/30/238078330.db2.gz UPBGRXRZIRVCGT-SFHVURJKSA-N 0 3 302.381 3.116 20 30 DGEDHN CN(C)[C@@H](CC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000431899590 238113918 /nfs/dbraw/zinc/11/39/18/238113918.db2.gz GKINODWKGKGBRM-IBGZPJMESA-N 0 3 321.424 3.210 20 30 DGEDHN COCCN(Cc1ccc(C#N)c(F)c1)[C@H]1CCCSC1 ZINC000433182561 238149492 /nfs/dbraw/zinc/14/94/92/238149492.db2.gz OGQAHNJUKCUGSF-HNNXBMFYSA-N 0 3 308.422 3.041 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)Oc1ccccc1 ZINC000433357015 238157199 /nfs/dbraw/zinc/15/71/99/238157199.db2.gz WDEQDDGIRBULOJ-SJLPKXTDSA-N 0 3 322.408 3.343 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCOCc1ccccc1 ZINC000433373257 238157866 /nfs/dbraw/zinc/15/78/66/238157866.db2.gz JRJRDDINRDAHQZ-IBGZPJMESA-N 0 3 322.408 3.092 20 30 DGEDHN C[C@H](NCCOc1ncccc1Cl)c1ccc(C#N)c(F)c1 ZINC000271934386 209336070 /nfs/dbraw/zinc/33/60/70/209336070.db2.gz JRAPLTHTZIULQC-NSHDSACASA-N 0 3 319.767 3.475 20 30 DGEDHN CN(CCC(=O)N(C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000134959103 432093266 /nfs/dbraw/zinc/09/32/66/432093266.db2.gz IZJPCSKYUSSOPE-UHFFFAOYSA-N 0 3 307.397 3.043 20 30 DGEDHN COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1cccc(C#N)c1)C2 ZINC000271895489 209304511 /nfs/dbraw/zinc/30/45/11/209304511.db2.gz TZUGPVWAJUDVQF-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN Cc1ccccc1C(C)(C)NCC(=O)NCc1ccc(C#N)cc1 ZINC000292842108 223269444 /nfs/dbraw/zinc/26/94/44/223269444.db2.gz BEWPCEQAEJGPDD-UHFFFAOYSA-N 0 3 321.424 3.008 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(Br)cc2)C1 ZINC000442858364 239139576 /nfs/dbraw/zinc/13/95/76/239139576.db2.gz HMSSBTNNWPVNNT-DGCLKSJQSA-N 0 3 309.207 3.110 20 30 DGEDHN N#C[C@H]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000442869172 239142485 /nfs/dbraw/zinc/14/24/85/239142485.db2.gz RUFXFDGANHSQBO-YOEHRIQHSA-N 0 3 301.459 3.340 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCCNc2cccc(Br)c2)C1 ZINC000442880739 239143606 /nfs/dbraw/zinc/14/36/06/239143606.db2.gz XYZHJQRDLXKKKJ-RISCZKNCSA-N 0 3 308.223 3.143 20 30 DGEDHN N#C[C@@H]1CC[C@H](Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000442852694 239137116 /nfs/dbraw/zinc/13/71/16/239137116.db2.gz HTVGAJHGDFZDIV-AEFFLSMTSA-N 0 3 315.486 3.382 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](c1nccn1C)C1CC1)C(C)C ZINC000271850350 209266670 /nfs/dbraw/zinc/26/66/70/209266670.db2.gz VYWNHMQKVJKPDO-QZTJIDSGSA-N 0 3 316.493 3.159 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000180807146 432099893 /nfs/dbraw/zinc/09/98/93/432099893.db2.gz BHJJGDVJIVBMJQ-CYBMUJFWSA-N 0 3 306.431 3.175 20 30 DGEDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)c(C)c2)cn1 ZINC000444004512 239250775 /nfs/dbraw/zinc/25/07/75/239250775.db2.gz MHUVXDJXNUTZMJ-RBUKOAKNSA-N 0 3 324.428 3.093 20 30 DGEDHN COc1ccc(CN2CCN(C)CC23CCCCC3)cc1C#N ZINC000135128628 432100788 /nfs/dbraw/zinc/10/07/88/432100788.db2.gz ZXJIFXXBSIKZQM-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN COc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1C#N ZINC000135138313 432101340 /nfs/dbraw/zinc/10/13/40/432101340.db2.gz ONPMXRGASDACMY-RDJZCZTQSA-N 0 3 302.443 3.427 20 30 DGEDHN C=CCc1cc(CNC[C@@H](OC)[C@@H](C)CC)cc(OC)c1O ZINC000449403359 240178918 /nfs/dbraw/zinc/17/89/18/240178918.db2.gz VQDIGYRCULHJOB-SUMWQHHRSA-N 0 3 307.434 3.280 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@H]2OC)ccc1OC ZINC000449525836 240265561 /nfs/dbraw/zinc/26/55/61/240265561.db2.gz XVSPOPGLFXNTMB-HZPDHXFCSA-N 0 3 305.418 3.307 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC(F)(F)F)cc1 ZINC000449524147 240267405 /nfs/dbraw/zinc/26/74/05/240267405.db2.gz ZCOVPJHJLJVWMO-KGLIPLIRSA-N 0 3 301.308 3.061 20 30 DGEDHN N#Cc1csc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066954 193152879 /nfs/dbraw/zinc/15/28/79/193152879.db2.gz ZDHNVVUTPMWOBQ-PBHICJAKSA-N 0 3 301.459 3.068 20 30 DGEDHN N#Cc1ccc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451616580 241191162 /nfs/dbraw/zinc/19/11/62/241191162.db2.gz RZVMPFSITGNAII-NVXWUHKLSA-N 0 3 304.821 3.098 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451630312 241192635 /nfs/dbraw/zinc/19/26/35/241192635.db2.gz SQSCRHRDONLWSZ-MSOLQXFVSA-N 0 3 314.404 3.478 20 30 DGEDHN C[C@H](NCC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H](C)C1 ZINC000452077350 241311505 /nfs/dbraw/zinc/31/15/05/241311505.db2.gz ZXJIIPLSHHLARH-RWMBFGLXSA-N 0 3 305.447 3.363 20 30 DGEDHN C[C@H](NCC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H](C)C1 ZINC000452077344 241311515 /nfs/dbraw/zinc/31/15/15/241311515.db2.gz ZXJIIPLSHHLARH-AVGNSLFASA-N 0 3 305.447 3.363 20 30 DGEDHN COc1cccc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000268613360 432110979 /nfs/dbraw/zinc/11/09/79/432110979.db2.gz LKNYJGHHYBHADI-PMACEKPBSA-N 0 3 322.408 3.437 20 30 DGEDHN CCO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1C ZINC000456129567 242356683 /nfs/dbraw/zinc/35/66/83/242356683.db2.gz BXWNHJRAIVUUBF-CGTJXYLNSA-N 0 3 314.429 3.032 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000455982049 242321912 /nfs/dbraw/zinc/32/19/12/242321912.db2.gz HKFKGHZVHAJWPP-CABCVRRESA-N 0 3 314.433 3.251 20 30 DGEDHN C=CCN1CCC(NC(=O)NC2(CC=C)CCCCC2)CC1 ZINC000458345652 243038344 /nfs/dbraw/zinc/03/83/44/243038344.db2.gz VTAGDAWNTVYNMM-UHFFFAOYSA-N 0 3 305.466 3.215 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@H]1SC ZINC000459420628 243363953 /nfs/dbraw/zinc/36/39/53/243363953.db2.gz YHDOAVGEVDEVPU-PVAVHDDUSA-N 0 3 307.459 3.250 20 30 DGEDHN COCCN(C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000268682424 432119104 /nfs/dbraw/zinc/11/91/04/432119104.db2.gz MQOVFIIJKPQGEY-OXQOHEQNSA-N 0 3 324.424 3.301 20 30 DGEDHN C=CCC[C@@H](O)CN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469735289 244120303 /nfs/dbraw/zinc/12/03/03/244120303.db2.gz HCGCPQMPBVDMEF-CQSZACIVSA-N 0 3 317.351 3.343 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000470279853 244162435 /nfs/dbraw/zinc/16/24/35/244162435.db2.gz WDUAOUZZRZMOCI-UHFFFAOYSA-N 0 3 316.445 3.103 20 30 DGEDHN CC(C#N)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000470739259 244186876 /nfs/dbraw/zinc/18/68/76/244186876.db2.gz ZUQWGXPCYDFUFF-ZJUUUORDSA-N 0 3 315.200 3.379 20 30 DGEDHN C=CCC[C@H](C(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000275091946 212115479 /nfs/dbraw/zinc/11/54/79/212115479.db2.gz CJRITELHGSKUIZ-SFHVURJKSA-N 0 3 300.446 3.337 20 30 DGEDHN C[C@H]1C[C@@H](O)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000471809979 244249712 /nfs/dbraw/zinc/24/97/12/244249712.db2.gz NEMKLUYXCLRCQJ-HNAYVOBHSA-N 0 3 322.408 3.092 20 30 DGEDHN C[C@@H]1C[C@H](O)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000471810176 244249918 /nfs/dbraw/zinc/24/99/18/244249918.db2.gz KGDHMCVDQOZWJC-BEFAXECRSA-N 0 3 322.408 3.092 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472344501 244300284 /nfs/dbraw/zinc/30/02/84/244300284.db2.gz CKJHAUVBLXKWRC-IEBWSBKVSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000474262480 244382727 /nfs/dbraw/zinc/38/27/27/244382727.db2.gz BVNZVAZBZVBHOD-UHFFFAOYSA-N 0 3 300.446 3.488 20 30 DGEDHN CO[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1OC ZINC000488040817 245139030 /nfs/dbraw/zinc/13/90/30/245139030.db2.gz FDSYNPSKKUJRPA-PMACEKPBSA-N 0 3 322.408 3.071 20 30 DGEDHN C=C(CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccccc1 ZINC000488256762 245168425 /nfs/dbraw/zinc/16/84/25/245168425.db2.gz QBMCZNVBDQFQOB-KRWDZBQOSA-N 0 3 314.816 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000264401285 203902858 /nfs/dbraw/zinc/90/28/58/203902858.db2.gz ZNSSQYUFMVULMI-INIZCTEOSA-N 0 3 319.474 3.245 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@@H]1C=C ZINC000489435814 245306552 /nfs/dbraw/zinc/30/65/52/245306552.db2.gz MSRDMUMRXVIGLB-ZWKOTPCHSA-N 0 3 301.430 3.195 20 30 DGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000268703574 432123575 /nfs/dbraw/zinc/12/35/75/432123575.db2.gz RTJNFDOJUFRIDE-MLGOLLRUSA-N 0 3 315.442 3.358 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1cc(C)ccc1Cl ZINC000489401177 245303303 /nfs/dbraw/zinc/30/33/03/245303303.db2.gz ILCUQWWXRGEMBV-CABCVRRESA-N 0 3 309.837 3.429 20 30 DGEDHN CN(CCNc1nc(Cl)c(C#N)s1)Cc1ccc(F)cc1 ZINC000288194294 220010853 /nfs/dbraw/zinc/01/08/53/220010853.db2.gz CEYUZTFMDPFOGL-UHFFFAOYSA-N 0 3 324.812 3.351 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@H]2COC3(CCCC3)O2)cc1 ZINC000271723326 209158768 /nfs/dbraw/zinc/15/87/68/209158768.db2.gz ODDKFGAWWHMWMV-YJBOKZPZSA-N 0 3 315.413 3.035 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271723320 209158471 /nfs/dbraw/zinc/15/84/71/209158471.db2.gz ODDKFGAWWHMWMV-CRAIPNDOSA-N 0 3 315.413 3.035 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(SC)c2C)CC1 ZINC000271692858 209131882 /nfs/dbraw/zinc/13/18/82/209131882.db2.gz FNLJCEDPZFIADU-UHFFFAOYSA-N 0 3 302.443 3.001 20 30 DGEDHN CN(C)C/C=C\C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000491883265 245579359 /nfs/dbraw/zinc/57/93/59/245579359.db2.gz KVPGVYVVXYKLTK-ARJAWSKDSA-N 0 3 321.380 3.407 20 30 DGEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000288381518 220122270 /nfs/dbraw/zinc/12/22/70/220122270.db2.gz GBPVQLUWLNWAHB-KSSFIOAISA-N 0 3 311.454 3.372 20 30 DGEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246419223 432128766 /nfs/dbraw/zinc/12/87/66/432128766.db2.gz RMTHRZMFWUXCFQ-WBVHZDCISA-N 0 3 313.445 3.103 20 30 DGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cn1 ZINC000266443339 205350329 /nfs/dbraw/zinc/35/03/29/205350329.db2.gz HPIAHSAHXMCNRY-IBGZPJMESA-N 0 3 320.440 3.302 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000267535557 206129874 /nfs/dbraw/zinc/12/98/74/206129874.db2.gz YIUOVKMPYHVEBB-GDBMZVCRSA-N 0 3 321.852 3.091 20 30 DGEDHN C=C(C)COCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495048278 246226152 /nfs/dbraw/zinc/22/61/52/246226152.db2.gz JBNKZGBUCMFPPX-MAUKXSAKSA-N 0 3 307.409 3.476 20 30 DGEDHN C[C@H](NCCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000495218376 246248046 /nfs/dbraw/zinc/24/80/46/246248046.db2.gz BYAMXDCNBFUIGP-LBPRGKRZSA-N 0 3 321.396 3.263 20 30 DGEDHN C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000495603564 246285882 /nfs/dbraw/zinc/28/58/82/246285882.db2.gz MJNIGCQACFOLDO-LBPRGKRZSA-N 0 3 321.396 3.090 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286280839 335031354 /nfs/dbraw/zinc/03/13/54/335031354.db2.gz OXFRDIBEVNQSRY-OAQYLSRUSA-N 0 3 324.468 3.305 20 30 DGEDHN C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1cccc(C#N)c1 ZINC000181885273 432148128 /nfs/dbraw/zinc/14/81/28/432148128.db2.gz RMHFTHVFLKEFCW-BBRMVZONSA-N 0 3 310.376 3.022 20 30 DGEDHN N#Cc1cccc(OC2CCN(CCOc3ccccc3)CC2)c1 ZINC000104715482 194028939 /nfs/dbraw/zinc/02/89/39/194028939.db2.gz HNFMIRXXBBFJEK-UHFFFAOYSA-N 0 3 322.408 3.480 20 30 DGEDHN COCCN(CCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754479 184288361 /nfs/dbraw/zinc/28/83/61/184288361.db2.gz HMSFLAVPQSLWKF-UHFFFAOYSA-N 0 3 310.397 3.086 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccn(C(CC)CC)n2)CC1 ZINC000269248818 207385804 /nfs/dbraw/zinc/38/58/04/207385804.db2.gz CYSQMXWKEXMDGJ-UHFFFAOYSA-N 0 3 318.465 3.015 20 30 DGEDHN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000337226755 533001989 /nfs/dbraw/zinc/00/19/89/533001989.db2.gz RCWUZQYDNIEYJG-OLZOCXBDSA-N 0 3 317.458 3.010 20 30 DGEDHN COc1cc(OC)cc(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000330954764 533062988 /nfs/dbraw/zinc/06/29/88/533062988.db2.gz GVTJPHCSYHMZRO-UHFFFAOYSA-N 0 3 320.433 3.130 20 30 DGEDHN C=C(C)CN(CC)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000158998779 197318058 /nfs/dbraw/zinc/31/80/58/197318058.db2.gz LEDNUBFOJRXRGA-UHFFFAOYSA-N 0 3 303.402 3.409 20 30 DGEDHN Cc1ccnc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1C#N ZINC000272979767 210360130 /nfs/dbraw/zinc/36/01/30/210360130.db2.gz ARFPNCBPOIRNPR-HNNXBMFYSA-N 0 3 321.428 3.294 20 30 DGEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(C#N)cs1 ZINC000338954848 253377618 /nfs/dbraw/zinc/37/76/18/253377618.db2.gz MMSQMSKGKZFDFC-UHFFFAOYSA-N 0 3 301.371 3.202 20 30 DGEDHN COCC1(C#N)CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000341990126 533110802 /nfs/dbraw/zinc/11/08/02/533110802.db2.gz KJMVNGNOKDNJSR-UHFFFAOYSA-N 0 3 322.836 3.361 20 30 DGEDHN COCC1(C#N)CCN(Cc2cc(C)c3ncccc3c2)CC1 ZINC000342837031 533111492 /nfs/dbraw/zinc/11/14/92/533111492.db2.gz JULAEIDSLYZFBR-UHFFFAOYSA-N 0 3 309.413 3.295 20 30 DGEDHN COCC1(C#N)CCN(CCCOc2cc(C)cc(C)c2)CC1 ZINC000341999896 533111930 /nfs/dbraw/zinc/11/19/30/533111930.db2.gz VQUVDCDXMOGQTP-UHFFFAOYSA-N 0 3 316.445 3.325 20 30 DGEDHN CC(C)(C#N)CCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000157778953 197214606 /nfs/dbraw/zinc/21/46/06/197214606.db2.gz DNPYPNCTEGMPIQ-UHFFFAOYSA-N 0 3 314.433 3.212 20 30 DGEDHN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000342642765 254023933 /nfs/dbraw/zinc/02/39/33/254023933.db2.gz ZVMWXFGXKMASDN-SFHVURJKSA-N 0 3 312.388 3.470 20 30 DGEDHN CC[C@H](CO)N(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000342642761 254024087 /nfs/dbraw/zinc/02/40/87/254024087.db2.gz ZVMWXFGXKMASDN-GOSISDBHSA-N 0 3 312.388 3.470 20 30 DGEDHN CN(c1cc(C#N)ccn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000342792756 254051061 /nfs/dbraw/zinc/05/10/61/254051061.db2.gz UUNPAJPQLYMZLF-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1ccnc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000343469072 254148545 /nfs/dbraw/zinc/14/85/45/254148545.db2.gz BIYWPZGYLYVTAT-SFHVURJKSA-N 0 3 320.440 3.363 20 30 DGEDHN CCCN1CCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000343992597 254210261 /nfs/dbraw/zinc/21/02/61/254210261.db2.gz ZDBMWEOXQJTLPJ-LBPRGKRZSA-N 0 3 312.339 3.258 20 30 DGEDHN CC(C)(C)CCN1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000344344572 254259397 /nfs/dbraw/zinc/25/93/97/254259397.db2.gz CWWRCXJLLUTMCX-UHFFFAOYSA-N 0 3 303.425 3.251 20 30 DGEDHN N#Cc1cnccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000344462219 254273275 /nfs/dbraw/zinc/27/32/75/254273275.db2.gz QOQDGTXTSLFMFA-UHFFFAOYSA-N 0 3 320.396 3.191 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@@H](NCc1ccc(C#N)cc1F)CC2 ZINC000345014788 254323218 /nfs/dbraw/zinc/32/32/18/254323218.db2.gz HBCRJMDNIZEKSZ-INIZCTEOSA-N 0 3 312.392 3.122 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@H](NCc1ccc(C#N)s1)CC2 ZINC000345024964 254324230 /nfs/dbraw/zinc/32/42/30/254324230.db2.gz VGEZNLKYEPVFEI-CYBMUJFWSA-N 0 3 300.431 3.044 20 30 DGEDHN OC[C@@H]([C@@H](NCC#Cc1cccc(Cl)c1)C1CC1)C1CC1 ZINC000451613359 285271653 /nfs/dbraw/zinc/27/16/53/285271653.db2.gz QOBFXESIXYLKLE-MSOLQXFVSA-N 0 3 303.833 3.078 20 30 DGEDHN COc1ccc(-n2ccc(CNCC(C)(C)CCC#N)n2)cc1 ZINC000174351008 533215256 /nfs/dbraw/zinc/21/52/56/533215256.db2.gz DKKJSDRLVOKMGZ-UHFFFAOYSA-N 0 3 312.417 3.300 20 30 DGEDHN COc1ccccc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289915252 221314084 /nfs/dbraw/zinc/31/40/84/221314084.db2.gz VJJOFPOJXOUQKU-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN COc1cccc(/C=N/[C@H](C)CN(C)Cc2ccccc2)c1O ZINC000183390586 533389504 /nfs/dbraw/zinc/38/95/04/533389504.db2.gz OAAPLJOVGLHOFI-RVZJCZPVSA-N 0 3 312.413 3.340 20 30 DGEDHN CO[C@]1(C)C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1(C)C ZINC000433369394 533373666 /nfs/dbraw/zinc/37/36/66/533373666.db2.gz WOEGPRQFTVAIKA-FRQCXROJSA-N 0 3 314.429 3.079 20 30 DGEDHN C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000297479207 533416515 /nfs/dbraw/zinc/41/65/15/533416515.db2.gz ZBYOJPWSCGNGDC-PXAZEXFGSA-N 0 3 316.351 3.091 20 30 DGEDHN Cc1ccc(C)c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428799573 533669717 /nfs/dbraw/zinc/66/97/17/533669717.db2.gz WRQBSJCTWBLQML-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN CC(C)(NC(=O)C[C@H]1NCc2ccccc21)c1cccc(C#N)c1 ZINC000595257844 400115602 /nfs/dbraw/zinc/11/56/02/400115602.db2.gz ZASIUBZHKYBDKH-GOSISDBHSA-N 0 3 319.408 3.144 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCCC1 ZINC000595508125 400172495 /nfs/dbraw/zinc/17/24/95/400172495.db2.gz UDNYFFVPSQRFQQ-INIZCTEOSA-N 0 3 320.481 3.024 20 30 DGEDHN N#C[C@H](c1ccccc1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000595548230 400183949 /nfs/dbraw/zinc/18/39/49/400183949.db2.gz BDLZURUCKJFJAM-PWRODBHTSA-N 0 3 317.436 3.458 20 30 DGEDHN COc1cc(CN(C)CCc2ccc(C#N)cc2)cc(OC)c1 ZINC000595295718 400120041 /nfs/dbraw/zinc/12/00/41/400120041.db2.gz QGMHRERUAUPOHQ-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN CC(C)c1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000600734856 400139620 /nfs/dbraw/zinc/13/96/20/400139620.db2.gz KYILAHSNPLBMJQ-IBGZPJMESA-N 0 3 324.424 3.211 20 30 DGEDHN CN1CCN(CCc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000595398238 400140632 /nfs/dbraw/zinc/14/06/32/400140632.db2.gz NWUONHBOWKPZBM-FQEVSTJZSA-N 0 3 305.425 3.089 20 30 DGEDHN N#Cc1ccc(CCN2CCC(Nc3ccccn3)CC2)cc1 ZINC000595404417 400141631 /nfs/dbraw/zinc/14/16/31/400141631.db2.gz YFPOWEVAFHDACE-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN C[C@H](NCCC(=O)N1CCc2ccccc21)c1cccc(C#N)c1 ZINC000585815949 400145524 /nfs/dbraw/zinc/14/55/24/400145524.db2.gz DFNJUXIEEALLMC-HNNXBMFYSA-N 0 3 319.408 3.188 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000092072138 400152624 /nfs/dbraw/zinc/15/26/24/400152624.db2.gz IVZRDHGCFVJHLN-QGZVFWFLSA-N 0 3 324.428 3.472 20 30 DGEDHN N#Cc1cccc(OCCN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609234003 400152699 /nfs/dbraw/zinc/15/26/99/400152699.db2.gz LLKXCOGKOJHZJQ-FQEVSTJZSA-N 0 3 322.408 3.401 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000092072890 400154319 /nfs/dbraw/zinc/15/43/19/400154319.db2.gz NMHVYDQFOZLDFP-KRWDZBQOSA-N 0 3 309.413 3.191 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000067235860 400155557 /nfs/dbraw/zinc/15/55/57/400155557.db2.gz IVCKKIYMAXMBBP-UHFFFAOYSA-N 0 3 322.861 3.346 20 30 DGEDHN CC(C)(CCC#N)CNc1ccccc1CN1CCC(O)CC1 ZINC000092135278 400157027 /nfs/dbraw/zinc/15/70/27/400157027.db2.gz VUMOKNBHVZHRCZ-UHFFFAOYSA-N 0 3 315.461 3.385 20 30 DGEDHN COC(=O)C[C@@](C)(NCCCCC(C)(C)C#N)c1ccncc1 ZINC000595486899 400165381 /nfs/dbraw/zinc/16/53/81/400165381.db2.gz PYSMJQHNILEPQE-GOSISDBHSA-N 0 3 317.433 3.170 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCCN(c3cccc(F)c3F)CC2)C1 ZINC000595504097 400170468 /nfs/dbraw/zinc/17/04/68/400170468.db2.gz FCLMHXMHCNKHPD-KBPBESRZSA-N 0 3 305.372 3.169 20 30 DGEDHN COc1cc(CNCCCCC#N)c(F)cc1Br ZINC000601105364 400233937 /nfs/dbraw/zinc/23/39/37/400233937.db2.gz FAXIIMLRFXDNQP-UHFFFAOYSA-N 0 3 315.186 3.380 20 30 DGEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000595705201 400236491 /nfs/dbraw/zinc/23/64/91/400236491.db2.gz DSYOCHOVJHWUNW-CKFHNAJUSA-N 0 3 319.408 3.203 20 30 DGEDHN Cc1oc(NC(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)c(C#N)c1C ZINC000595707431 400237476 /nfs/dbraw/zinc/23/74/76/400237476.db2.gz OKNUUFRGBCTIEY-YVEFUNNKSA-N 0 3 323.396 3.025 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](CCF)C1 ZINC000595755309 400251690 /nfs/dbraw/zinc/25/16/90/400251690.db2.gz KNWBMWIEDPRESS-LBPRGKRZSA-N 0 3 309.410 3.020 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1C2CCCC1CCC2 ZINC000610370004 400252167 /nfs/dbraw/zinc/25/21/67/400252167.db2.gz NUFNDQGLIJFCFW-UHFFFAOYSA-N 0 3 300.402 3.353 20 30 DGEDHN COc1cccc([C@@]2(C)CCN(Cc3ccnc(C#N)c3)C2)c1 ZINC000595765348 400253017 /nfs/dbraw/zinc/25/30/17/400253017.db2.gz JQBMENQACLKJCS-IBGZPJMESA-N 0 3 307.397 3.125 20 30 DGEDHN Cc1ccc(CN(CCC(=O)Nc2cccc(C#N)c2)C2CC2)o1 ZINC000610392254 400254085 /nfs/dbraw/zinc/25/40/85/400254085.db2.gz MITLGKDBNNURFL-UHFFFAOYSA-N 0 3 323.396 3.453 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000595608918 400202579 /nfs/dbraw/zinc/20/25/79/400202579.db2.gz BSWIDDPIBCYMRG-VQIMIIECSA-N 0 3 324.424 3.205 20 30 DGEDHN CC1(C)CC[C@@H](CNC2(c3cccc(C#N)c3)CCOCC2)O1 ZINC000595768941 400254287 /nfs/dbraw/zinc/25/42/87/400254287.db2.gz MVDWEDIKUBYAEW-KRWDZBQOSA-N 0 3 314.429 3.111 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC(c3ccco3)CC2)c1 ZINC000595614858 400207254 /nfs/dbraw/zinc/20/72/54/400207254.db2.gz JZNCHQDXAZAFNA-UHFFFAOYSA-N 0 3 323.396 3.359 20 30 DGEDHN N#CC[C@H]1CCCN(CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000595623561 400211270 /nfs/dbraw/zinc/21/12/70/400211270.db2.gz TZYFKTXGUWLOGL-CZUORRHYSA-N 0 3 315.442 3.115 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000595635031 400213725 /nfs/dbraw/zinc/21/37/25/400213725.db2.gz IUOLIENJRZHXGZ-VHDGCEQUSA-N 0 3 324.346 3.170 20 30 DGEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)C1CCC(F)CC1 ZINC000595819782 400269420 /nfs/dbraw/zinc/26/94/20/400269420.db2.gz PVXVJPRDSKBKDZ-XSRFYTQQSA-N 0 3 309.410 3.065 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C2CCC2)C1 ZINC000595837686 400277188 /nfs/dbraw/zinc/27/71/88/400277188.db2.gz QYDOGWSARHHKPH-NVXWUHKLSA-N 0 3 317.477 3.230 20 30 DGEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610586976 400279800 /nfs/dbraw/zinc/27/98/00/400279800.db2.gz GAVDMLFGVRGINM-ZDUSSCGKSA-N 0 3 320.824 3.208 20 30 DGEDHN C=C[C@H](CO)NCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000595863406 400282593 /nfs/dbraw/zinc/28/25/93/400282593.db2.gz FYYLOYBUZZSZTA-LJQANCHMSA-N 0 3 306.409 3.023 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000595867751 400283284 /nfs/dbraw/zinc/28/32/84/400283284.db2.gz PZUDKPHIPCLUAB-WMZOPIPTSA-N 0 3 305.466 3.086 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000601287443 400284568 /nfs/dbraw/zinc/28/45/68/400284568.db2.gz IXJQOESQKFWJHQ-BHADISHBSA-N 0 3 306.356 3.467 20 30 DGEDHN C[C@H]1CCC[C@H](C)N1CCNc1nc2ncccc2cc1C#N ZINC000596120165 400323050 /nfs/dbraw/zinc/32/30/50/400323050.db2.gz IHNJSEGIPQICNB-KBPBESRZSA-N 0 3 309.417 3.176 20 30 DGEDHN CN1Cc2ccccc2[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000589343768 400291187 /nfs/dbraw/zinc/29/11/87/400291187.db2.gz VSXBVMFCYFVBCR-PMACEKPBSA-N 0 3 303.409 3.322 20 30 DGEDHN CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)[C@H]1c1cccs1 ZINC000595947765 400297305 /nfs/dbraw/zinc/29/73/05/400297305.db2.gz NWAQTSAQQBFBHS-JSGCOSHPSA-N 0 3 305.447 3.069 20 30 DGEDHN Cc1ccc(OC(F)F)c([C@H](C)NC2CCN(CC#N)CC2)c1 ZINC000610812928 400310173 /nfs/dbraw/zinc/31/01/73/400310173.db2.gz PNZNAPUKWLWJNH-ZDUSSCGKSA-N 0 3 323.387 3.235 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000106038036 400325113 /nfs/dbraw/zinc/32/51/13/400325113.db2.gz SIYOQWOBCCWBEW-IRXDYDNUSA-N 0 3 304.478 3.382 20 30 DGEDHN C[C@@H](N[C@@H](C)CC(=O)N1CCCCCC1)c1cccc(C#N)c1 ZINC000610830257 400312004 /nfs/dbraw/zinc/31/20/04/400312004.db2.gz IYHCERPAHDODGR-JKSUJKDBSA-N 0 3 313.445 3.390 20 30 DGEDHN C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000610830251 400312267 /nfs/dbraw/zinc/31/22/67/400312267.db2.gz IYHCERPAHDODGR-CVEARBPZSA-N 0 3 313.445 3.390 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790852 400261341 /nfs/dbraw/zinc/26/13/41/400261341.db2.gz ZAZLKLWMMYYRTB-AEFFLSMTSA-N 0 3 314.429 3.348 20 30 DGEDHN CC(C)(NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000610476526 400262117 /nfs/dbraw/zinc/26/21/17/400262117.db2.gz CPGWYYRUXBTWAY-SFHVURJKSA-N 0 3 324.424 3.017 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000030532669 400328176 /nfs/dbraw/zinc/32/81/76/400328176.db2.gz LBCLJFBSNFIMSZ-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN N#Cc1nc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)sc1Cl ZINC000596170571 400339484 /nfs/dbraw/zinc/33/94/84/400339484.db2.gz UXPBSZSFFXXCCR-ZWNOBZJWSA-N 0 3 322.865 3.121 20 30 DGEDHN C[C@H](N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000589949547 400341943 /nfs/dbraw/zinc/34/19/43/400341943.db2.gz BOECZOYTMDNOOG-NURSFMCSSA-N 0 3 316.298 3.194 20 30 DGEDHN Cc1ncc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)s1 ZINC000601771706 400347177 /nfs/dbraw/zinc/34/71/77/400347177.db2.gz KLPHFVZKONCZCV-DOMZBBRYSA-N 0 3 313.426 3.401 20 30 DGEDHN C=CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1CCCCC1 ZINC000069860001 400347289 /nfs/dbraw/zinc/34/72/89/400347289.db2.gz NCYBNCCYTLDYAS-SFHVURJKSA-N 0 3 305.466 3.109 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CN(C)C(C)C ZINC000070944239 400363406 /nfs/dbraw/zinc/36/34/06/400363406.db2.gz QOBGKYNPNFTDNE-UHFFFAOYSA-N 0 3 300.855 3.256 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000111492017 400365139 /nfs/dbraw/zinc/36/51/39/400365139.db2.gz WZRMFNZYXSZXDS-GOSISDBHSA-N 0 3 315.461 3.205 20 30 DGEDHN CC(C)N1CCCC[C@H]1Cn1cc(C#N)c2ccccc2c1=O ZINC000596315096 400378159 /nfs/dbraw/zinc/37/81/59/400378159.db2.gz WVVPXSBOCBWXDQ-INIZCTEOSA-N 0 3 309.413 3.136 20 30 DGEDHN N#Cc1nc(N2CCCN(C3CCCC3)CC2)sc1Cl ZINC000590585814 400398940 /nfs/dbraw/zinc/39/89/40/400398940.db2.gz PIZAUXYVPFVGMR-UHFFFAOYSA-N 0 3 310.854 3.123 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CCC[C@H]2C(=O)OC)cc1Cl ZINC000590658214 400410711 /nfs/dbraw/zinc/41/07/11/400410711.db2.gz XZXOULLVTPCLOI-HIFRSBDPSA-N 0 3 323.820 3.336 20 30 DGEDHN CN(CC(=O)N[C@H](CCC#N)c1ccccc1)CC(C)(C)C ZINC000602128577 400417405 /nfs/dbraw/zinc/41/74/05/400417405.db2.gz KSJSCKXJADXWKU-MRXNPFEDSA-N 0 3 301.434 3.126 20 30 DGEDHN C=CCCSCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000596451378 400418377 /nfs/dbraw/zinc/41/83/77/400418377.db2.gz XJICJCCJJPXSEX-UHFFFAOYSA-N 0 3 307.463 3.179 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2C(C)C)CC1 ZINC000117493414 400418833 /nfs/dbraw/zinc/41/88/33/400418833.db2.gz QWRXTNFISRWYQN-KRWDZBQOSA-N 0 3 307.482 3.247 20 30 DGEDHN CCN(Cc1ccccc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000120224805 400444278 /nfs/dbraw/zinc/44/42/78/400444278.db2.gz OXTWNUGTKVCXHV-IBGZPJMESA-N 0 3 324.424 3.014 20 30 DGEDHN N#Cc1cc(NC[C@H]2CCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596559394 400444973 /nfs/dbraw/zinc/44/49/73/400444973.db2.gz XXDIKIORXPYASF-QGZVFWFLSA-N 0 3 322.368 3.153 20 30 DGEDHN CCc1ccc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000120433336 400445130 /nfs/dbraw/zinc/44/51/30/400445130.db2.gz DYXKVSBRWXAVBB-AWEZNQCLSA-N 0 3 307.397 3.410 20 30 DGEDHN C[C@@H](CNCc1cccc(C#N)n1)Oc1ccc(Cl)cc1 ZINC000602571879 400500672 /nfs/dbraw/zinc/50/06/72/400500672.db2.gz VYWLQQHMGQIKKP-LBPRGKRZSA-N 0 3 301.777 3.164 20 30 DGEDHN C[C@H](CCN1CCC[C@@](C)(C#N)C1)N1CCC[C@](C)(C#N)C1 ZINC000612162357 400501681 /nfs/dbraw/zinc/50/16/81/400501681.db2.gz JQPDWQMQAMKDJX-FGTMMUONSA-N 0 3 302.466 3.016 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NCc2cccc(C#N)n2)cc1 ZINC000602574186 400501819 /nfs/dbraw/zinc/50/18/19/400501819.db2.gz YAHWQYOYVHLZFX-OALUTQOASA-N 0 3 307.397 3.272 20 30 DGEDHN Cc1ccncc1[C@@H](C)NCCC(=O)Nc1sccc1C#N ZINC000611938945 400466343 /nfs/dbraw/zinc/46/63/43/400466343.db2.gz LYMWDLSAXDCIMN-GFCCVEGCSA-N 0 3 314.414 3.003 20 30 DGEDHN Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1CC#N ZINC000596640079 400467792 /nfs/dbraw/zinc/46/77/92/400467792.db2.gz ZKWOSQIHLMQWCV-UHFFFAOYSA-N 0 3 319.452 3.476 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@H]1SC ZINC000590962134 400469818 /nfs/dbraw/zinc/46/98/18/400469818.db2.gz MFRUXXFJUPQIKF-YYIAUSFCSA-N 0 3 302.443 3.044 20 30 DGEDHN N#CC1(CCN(CCO)CCc2ccccc2)CCCCC1 ZINC000591014346 400476208 /nfs/dbraw/zinc/47/62/08/400476208.db2.gz RGKXTHRPLRNJQO-UHFFFAOYSA-N 0 3 300.446 3.388 20 30 DGEDHN C[C@H](NCCC(=O)NCC1CCCCC1)c1cccc(C#N)c1 ZINC000591022978 400476929 /nfs/dbraw/zinc/47/69/29/400476929.db2.gz NJOUTEHZJKSANL-HNNXBMFYSA-N 0 3 313.445 3.295 20 30 DGEDHN N#Cc1cccc(CN[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000602614542 400512184 /nfs/dbraw/zinc/51/21/84/400512184.db2.gz SOXKWDNLMHQBRX-YJBOKZPZSA-N 0 3 311.360 3.102 20 30 DGEDHN N#Cc1cccc(CNCCCSc2ccc(F)cc2)n1 ZINC000602500503 400480305 /nfs/dbraw/zinc/48/03/05/400480305.db2.gz ZQQZULHDWWZDAP-UHFFFAOYSA-N 0 3 301.390 3.364 20 30 DGEDHN COc1ccc(C)cc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602506999 400482726 /nfs/dbraw/zinc/48/27/26/400482726.db2.gz MTPVJDRUSIQQFN-OAHLLOKOSA-N 0 3 302.418 3.192 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000125973340 400487530 /nfs/dbraw/zinc/48/75/30/400487530.db2.gz PXUPXLRCVBKCQU-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000602525102 400488766 /nfs/dbraw/zinc/48/87/66/400488766.db2.gz QORABXWTLZTLRO-MRXNPFEDSA-N 0 3 319.836 3.100 20 30 DGEDHN CCc1cccc2c(CCNCc3cccc(C#N)n3)c[nH]c21 ZINC000602554490 400495084 /nfs/dbraw/zinc/49/50/84/400495084.db2.gz DFIRLSPFZQNBKE-UHFFFAOYSA-N 0 3 304.397 3.329 20 30 DGEDHN COc1cccc(-c2noc([C@H](C)NC[C@@H](C)CCC#N)n2)c1 ZINC000602647084 400523410 /nfs/dbraw/zinc/52/34/10/400523410.db2.gz SIRFBRPTVNCKAB-STQMWFEESA-N 0 3 314.389 3.336 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596979967 400533228 /nfs/dbraw/zinc/53/32/28/400533228.db2.gz QSNLGOKYTSHVMO-HXUWFJFHSA-N 0 3 322.408 3.358 20 30 DGEDHN COCCc1ccc(OC[C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000597051289 400547072 /nfs/dbraw/zinc/54/70/72/400547072.db2.gz TZXSRKIVZNVTLN-INIZCTEOSA-N 0 3 324.424 3.304 20 30 DGEDHN N#Cc1ccccc1N1CCCN(CCOc2ccccc2)CC1 ZINC000046087024 400550240 /nfs/dbraw/zinc/55/02/40/400550240.db2.gz YQBASNLJSCMJKC-UHFFFAOYSA-N 0 3 321.424 3.149 20 30 DGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H](CO)c1ccccc1 ZINC000597137401 400567629 /nfs/dbraw/zinc/56/76/29/400567629.db2.gz QZAJOEKTAKKUJV-IBGZPJMESA-N 0 3 306.409 3.407 20 30 DGEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CC2(CCCC2)O1 ZINC000592195528 400622832 /nfs/dbraw/zinc/62/28/32/400622832.db2.gz SXAGVTXXINGBDM-MRXNPFEDSA-N 0 3 306.450 3.120 20 30 DGEDHN COc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1OC(F)F ZINC000618562217 400623582 /nfs/dbraw/zinc/62/35/82/400623582.db2.gz NSLFOQVUYFLDTG-YPMHNXCESA-N 0 3 310.344 3.469 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC000144760142 400643262 /nfs/dbraw/zinc/64/32/62/400643262.db2.gz GCWMVCKOCMQRAW-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN N#CC1(NC(=O)CN(C2CC2)C2CCCCC2)CCCCC1 ZINC000047904091 400633568 /nfs/dbraw/zinc/63/35/68/400633568.db2.gz WTUFLUACCPJGIP-UHFFFAOYSA-N 0 3 303.450 3.126 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c1 ZINC000046835925 400582542 /nfs/dbraw/zinc/58/25/42/400582542.db2.gz SNHGJARJAPOWJM-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN COc1ccc(CN(C)CCOc2ccc(F)cc2)cc1C#N ZINC000134949031 400582770 /nfs/dbraw/zinc/58/27/70/400582770.db2.gz UGSVJHXSOBWZSB-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN COc1cc(CN2CC[C@H](N(C)c3ccccc3)C2)ccc1C#N ZINC000597224633 400592238 /nfs/dbraw/zinc/59/22/38/400592238.db2.gz NAZHZQMNUURZEY-IBGZPJMESA-N 0 3 321.424 3.278 20 30 DGEDHN Cc1cc(NC2CCN(C)CC2)n2c3ccccc3nc2c1C#N ZINC000075604941 400597175 /nfs/dbraw/zinc/59/71/75/400597175.db2.gz WSXRBUJBVGCSIJ-UHFFFAOYSA-N 0 3 319.412 3.174 20 30 DGEDHN C=CCNC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 ZINC000612819699 400608867 /nfs/dbraw/zinc/60/88/67/400608867.db2.gz YUADBEABKYKZPC-UHFFFAOYSA-N 0 3 304.409 3.263 20 30 DGEDHN C[C@H](N[C@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000613107057 400655500 /nfs/dbraw/zinc/65/55/00/400655500.db2.gz REZTZMIOVKLUAF-YOEHRIQHSA-N 0 3 313.445 3.246 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000597616115 400652727 /nfs/dbraw/zinc/65/27/27/400652727.db2.gz HMJQWRALRODBCA-NEWSRXKRSA-N 0 3 319.408 3.074 20 30 DGEDHN COc1ccccc1[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000158118039 400722509 /nfs/dbraw/zinc/72/25/09/400722509.db2.gz BARLUFCSXIHREI-KRWDZBQOSA-N 0 3 322.408 3.435 20 30 DGEDHN COc1ccccc1[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000158117894 400722759 /nfs/dbraw/zinc/72/27/59/400722759.db2.gz BARLUFCSXIHREI-QGZVFWFLSA-N 0 3 322.408 3.435 20 30 DGEDHN CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(CC)C1 ZINC000598040186 400723937 /nfs/dbraw/zinc/72/39/37/400723937.db2.gz NOUIGNUOKQRVSZ-KRWDZBQOSA-N 0 3 313.445 3.044 20 30 DGEDHN N#Cc1ccc(OCCN2CCCN(c3ccccc3)CC2)cc1 ZINC000603869641 400727973 /nfs/dbraw/zinc/72/79/73/400727973.db2.gz PKONLWVEENVCGK-UHFFFAOYSA-N 0 3 321.424 3.149 20 30 DGEDHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000593022765 400737845 /nfs/dbraw/zinc/73/78/45/400737845.db2.gz KBFWRTFLBQADMV-KUHUBIRLSA-N 0 3 319.408 3.154 20 30 DGEDHN Cc1cc(C)cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000598142953 400750937 /nfs/dbraw/zinc/75/09/37/400750937.db2.gz XARYJNTUOLQQFU-IBGZPJMESA-N 0 3 317.392 3.174 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3c(ccn3CCC)c2)CC1 ZINC000051420759 400701421 /nfs/dbraw/zinc/70/14/21/400701421.db2.gz LBYHZVIVWVRPBB-UHFFFAOYSA-N 0 3 323.440 3.335 20 30 DGEDHN C=CCCSCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000597967092 400704964 /nfs/dbraw/zinc/70/49/64/400704964.db2.gz NDLSXHADBNQKTC-MRXNPFEDSA-N 0 3 310.507 3.209 20 30 DGEDHN C[C@@H]1CCN(c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000078689603 400820900 /nfs/dbraw/zinc/82/09/00/400820900.db2.gz RZKWHGUXWNVAOQ-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](CCF)C1 ZINC000598222650 400764553 /nfs/dbraw/zinc/76/45/53/400764553.db2.gz BKPNBFOGEQRRDO-DLBZAZTESA-N 0 3 302.393 3.357 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](CCF)C1 ZINC000598222652 400764658 /nfs/dbraw/zinc/76/46/58/400764658.db2.gz BKPNBFOGEQRRDO-IRXDYDNUSA-N 0 3 302.393 3.357 20 30 DGEDHN CC(C#N)C(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000598231943 400766837 /nfs/dbraw/zinc/76/68/37/400766837.db2.gz VDZDNPAKGBNFII-BXUZGUMPSA-N 0 3 306.793 3.178 20 30 DGEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000078380210 400795194 /nfs/dbraw/zinc/79/51/94/400795194.db2.gz LZROHLPLEPGHGW-ZDUSSCGKSA-N 0 3 314.776 3.148 20 30 DGEDHN C[C@H]1CCN(c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000078689607 400820646 /nfs/dbraw/zinc/82/06/46/400820646.db2.gz RZKWHGUXWNVAOQ-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C=CCNC(=O)CN[C@@H](CCC(C)C)c1ccc(OC)cc1 ZINC000180027700 400881834 /nfs/dbraw/zinc/88/18/34/400881834.db2.gz XZJNLUZTPGKKJW-KRWDZBQOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000605760167 400884870 /nfs/dbraw/zinc/88/48/70/400884870.db2.gz YTYGPAXUPFRZSL-QGZVFWFLSA-N 0 3 318.436 3.115 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)c2cccc(C)c2)CC1 ZINC000172607233 400834122 /nfs/dbraw/zinc/83/41/22/400834122.db2.gz DAGRUPSGZMHFML-INIZCTEOSA-N 0 3 315.461 3.048 20 30 DGEDHN Cc1nc(C2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)sc1C ZINC000598589103 400836868 /nfs/dbraw/zinc/83/68/68/400836868.db2.gz DBOOVEXOXBRJMX-HNNXBMFYSA-N 0 3 321.490 3.240 20 30 DGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598587185 400837640 /nfs/dbraw/zinc/83/76/40/400837640.db2.gz ONOABFSSLUZKKJ-ZDUSSCGKSA-N 0 3 314.351 3.438 20 30 DGEDHN C[C@@H]1SCCN(C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000598593243 400838745 /nfs/dbraw/zinc/83/87/45/400838745.db2.gz RELWQMJSOYWNCN-UAGQMJEPSA-N 0 3 318.486 3.466 20 30 DGEDHN Cc1cccc(NC2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598594687 400840176 /nfs/dbraw/zinc/84/01/76/400840176.db2.gz CJABQVLWBHTZPL-SFHVURJKSA-N 0 3 315.461 3.172 20 30 DGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)CC(C)(C)C#N)CCC2 ZINC000598599296 400841407 /nfs/dbraw/zinc/84/14/07/400841407.db2.gz ZGQJIVPPOAFPAJ-OCCSQVGLSA-N 0 3 321.490 3.315 20 30 DGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1OC(F)F ZINC000598603606 400843160 /nfs/dbraw/zinc/84/31/60/400843160.db2.gz XCTMEYIOCTUGAP-VXGBXAGGSA-N 0 3 312.360 3.239 20 30 DGEDHN CC[C@H](c1ccccc1OC)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598615435 400844095 /nfs/dbraw/zinc/84/40/95/400844095.db2.gz AXDLTWFPUFJTPE-GDBMZVCRSA-N 0 3 304.434 3.379 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(OCC(F)F)cc2)c1 ZINC000174263626 400855239 /nfs/dbraw/zinc/85/52/39/400855239.db2.gz GPLYBHBGQNXYKO-UHFFFAOYSA-N 0 3 302.324 3.492 20 30 DGEDHN Cc1c2cc(F)ccc2oc1CNC[C@H](O)CC(C)(C)C#N ZINC000598702570 400861137 /nfs/dbraw/zinc/86/11/37/400861137.db2.gz VJMJYUXGAWPDGD-CYBMUJFWSA-N 0 3 304.365 3.271 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccccc1C(F)(F)F ZINC000598716171 400863477 /nfs/dbraw/zinc/86/34/77/400863477.db2.gz ZAVZSFWCOAGBNO-LBPRGKRZSA-N 0 3 300.324 3.096 20 30 DGEDHN CCOc1cc(Cl)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598722242 400865560 /nfs/dbraw/zinc/86/55/60/400865560.db2.gz BEOPINZHRIXTJM-CQSZACIVSA-N 0 3 310.825 3.129 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000598723226 400866096 /nfs/dbraw/zinc/86/60/96/400866096.db2.gz FJQPEMWWTOVFAZ-HIFRSBDPSA-N 0 3 320.408 3.318 20 30 DGEDHN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCCSCC#N ZINC000593994205 400938726 /nfs/dbraw/zinc/93/87/26/400938726.db2.gz WEMSFEMGDDGEPM-AWEZNQCLSA-N 0 3 323.893 3.497 20 30 DGEDHN C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(C#N)cc1F ZINC000599058295 400942239 /nfs/dbraw/zinc/94/22/39/400942239.db2.gz JRNRQRVJTNDLHV-GUYCJALGSA-N 0 3 310.372 3.489 20 30 DGEDHN Cc1cccc2c1C[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CO2 ZINC000599063850 400944618 /nfs/dbraw/zinc/94/46/18/400944618.db2.gz JRDGDWCZHLWRRU-QFBILLFUSA-N 0 3 304.393 3.447 20 30 DGEDHN CC(C)[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000181654250 400889857 /nfs/dbraw/zinc/88/98/57/400889857.db2.gz JRBLYDUXZWDHEY-QGZVFWFLSA-N 0 3 323.387 3.014 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(C)cc1 ZINC000181686523 400890039 /nfs/dbraw/zinc/89/00/39/400890039.db2.gz DYXIAGAZCHZCSF-WBVHZDCISA-N 0 3 301.434 3.044 20 30 DGEDHN CC(C)(C)CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)(C)C ZINC000182078936 400891177 /nfs/dbraw/zinc/89/11/77/400891177.db2.gz OSYGYOTWNGMFIJ-SFHVURJKSA-N 0 3 307.482 3.189 20 30 DGEDHN N#Cc1cccc(CN2CCC(NCc3ccccc3F)CC2)c1 ZINC000593687554 400891774 /nfs/dbraw/zinc/89/17/74/400891774.db2.gz IKXMZXLDEPPMPC-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000619704747 400892046 /nfs/dbraw/zinc/89/20/46/400892046.db2.gz DSAKEFJGSAWJER-UHIISALHSA-N 0 3 317.458 3.214 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccc2c(c1)OCCO2 ZINC000614397584 400892684 /nfs/dbraw/zinc/89/26/84/400892684.db2.gz GSGFXCFWXPQVEW-UHFFFAOYSA-N 0 3 308.381 3.270 20 30 DGEDHN C=CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000182547083 400893302 /nfs/dbraw/zinc/89/33/02/400893302.db2.gz SXKBKLCAZHOWLU-QGZVFWFLSA-N 0 3 306.837 3.463 20 30 DGEDHN CCCN(C)[C@H](CNC(=O)[C@H](C#N)CC)c1ccc(Cl)cc1 ZINC000593700863 400896322 /nfs/dbraw/zinc/89/63/22/400896322.db2.gz COSRXWYIZOFOFP-XJKSGUPXSA-N 0 3 321.852 3.389 20 30 DGEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1cccc2ccccc21 ZINC000593707419 400897360 /nfs/dbraw/zinc/89/73/60/400897360.db2.gz HFCANVMGPFRLJC-CXAGYDPISA-N 0 3 324.380 3.110 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)C1(C(=O)OC)CCC1 ZINC000619754963 400899502 /nfs/dbraw/zinc/89/95/02/400899502.db2.gz PMQXMOHHLFKZCZ-OAHLLOKOSA-N 0 3 320.820 3.423 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccsc1 ZINC000619783602 400906186 /nfs/dbraw/zinc/90/61/86/400906186.db2.gz UHAWILNNTVIRNX-LBPRGKRZSA-N 0 3 302.399 3.358 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594025888 400952770 /nfs/dbraw/zinc/95/27/70/400952770.db2.gz AJPOOVJUNLVCQW-LJQANCHMSA-N 0 3 314.429 3.361 20 30 DGEDHN CC[C@H]1COC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000593791744 400910798 /nfs/dbraw/zinc/91/07/98/400910798.db2.gz ZWZTUJKNFLVDFW-IRXDYDNUSA-N 0 3 314.429 3.175 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H](CC)CO1 ZINC000593790695 400911051 /nfs/dbraw/zinc/91/10/51/400911051.db2.gz ISYVXSFRSVJRIA-RCCFBDPRSA-N 0 3 314.429 3.175 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598978389 400918513 /nfs/dbraw/zinc/91/85/13/400918513.db2.gz NORNLXYKAWLSBG-LBPRGKRZSA-N 0 3 311.447 3.120 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000593960459 400927817 /nfs/dbraw/zinc/92/78/17/400927817.db2.gz AQVZSDXWHHMILL-OAHLLOKOSA-N 0 3 321.424 3.437 20 30 DGEDHN Cn1cncc1CCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000593969764 400931414 /nfs/dbraw/zinc/93/14/14/400931414.db2.gz ODHBUDVVDVLKFR-UHFFFAOYSA-N 0 3 306.413 3.014 20 30 DGEDHN Cc1cc(NC[C@@H]2CCN2C2CCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000599164102 400982279 /nfs/dbraw/zinc/98/22/79/400982279.db2.gz JPXRRXQYVCRUMT-INIZCTEOSA-N 0 3 314.389 3.204 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000606923194 400983603 /nfs/dbraw/zinc/98/36/03/400983603.db2.gz IOADYNZJLGESIE-IAGOWNOFSA-N 0 3 309.498 3.495 20 30 DGEDHN CCN(Cc1ccccc1C)C[C@H](O)COc1ccccc1C#N ZINC000599260291 401002856 /nfs/dbraw/zinc/00/28/56/401002856.db2.gz YGXRBRFRLBZHBG-IBGZPJMESA-N 0 3 324.424 3.129 20 30 DGEDHN Cc1cnc(CCNC(=O)C(C#N)CCc2ccccc2)c(C)c1 ZINC000594396942 401056898 /nfs/dbraw/zinc/05/68/98/401056898.db2.gz IZNIIBJFJSFQNO-GOSISDBHSA-N 0 3 321.424 3.130 20 30 DGEDHN CCc1ccc(CN(C(=O)[C@@H](N)CCCCC#N)C2CC2)cc1 ZINC000594425825 401062840 /nfs/dbraw/zinc/06/28/40/401062840.db2.gz ADAYQBUDUPFEEM-SFHVURJKSA-N 0 3 313.445 3.151 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000594428588 401064694 /nfs/dbraw/zinc/06/46/94/401064694.db2.gz MYERRYHQXSIHRS-ZWKOTPCHSA-N 0 3 313.445 3.021 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000594429931 401065853 /nfs/dbraw/zinc/06/58/53/401065853.db2.gz UFSVSCGRPZSVLV-LBPRGKRZSA-N 0 3 317.286 3.194 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515226 401066697 /nfs/dbraw/zinc/06/66/97/401066697.db2.gz AZEQMUJTDQCHFT-HUUCEWRRSA-N 0 3 320.383 3.199 20 30 DGEDHN Cc1ccc(CN(CC(=O)NC2(C#N)CCC2)C(C)(C)C)cc1 ZINC000599527229 401068659 /nfs/dbraw/zinc/06/86/59/401068659.db2.gz IHQYKNZWDXPDOH-UHFFFAOYSA-N 0 3 313.445 3.158 20 30 DGEDHN CC(C)(C)c1ccc(O)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594437869 401070395 /nfs/dbraw/zinc/07/03/95/401070395.db2.gz XKLYZGDOSLFTNY-CYBMUJFWSA-N 0 3 303.406 3.039 20 30 DGEDHN CC(C)CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)c(F)c1 ZINC000594456498 401074423 /nfs/dbraw/zinc/07/44/23/401074423.db2.gz LGWYTKLLJUQWIK-HNNXBMFYSA-N 0 3 321.396 3.210 20 30 DGEDHN C[C@@H](N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(C)CC1 ZINC000248708056 401075892 /nfs/dbraw/zinc/07/58/92/401075892.db2.gz BENUIJJCVCRTLQ-PBHICJAKSA-N 0 3 311.429 3.174 20 30 DGEDHN CCC[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599345466 401028055 /nfs/dbraw/zinc/02/80/55/401028055.db2.gz QYTKLXXDIAQXRF-OALUTQOASA-N 0 3 324.424 3.429 20 30 DGEDHN CC(C)Oc1cccc([C@H](C)NC[C@H](O)CC2(C#N)CC2)c1 ZINC000599349522 401029514 /nfs/dbraw/zinc/02/95/14/401029514.db2.gz IZVWHNANXIEFLU-GOEBONIOSA-N 0 3 302.418 3.179 20 30 DGEDHN Cc1ccc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1C#N ZINC000599350945 401029552 /nfs/dbraw/zinc/02/95/52/401029552.db2.gz BYKQFWIDAIBYNB-MRXNPFEDSA-N 0 3 321.428 3.242 20 30 DGEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F ZINC000599349555 401030345 /nfs/dbraw/zinc/03/03/45/401030345.db2.gz JRAIRVYIZOSIDC-OCCSQVGLSA-N 0 3 324.371 3.383 20 30 DGEDHN CCOC(=O)CCN(Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC000615224093 401033035 /nfs/dbraw/zinc/03/30/35/401033035.db2.gz LAJVLHIRNHJEIM-UHFFFAOYSA-N 0 3 320.820 3.377 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cc(C)ccc1C ZINC000599645526 401101227 /nfs/dbraw/zinc/10/12/27/401101227.db2.gz PHENIUYWUBMQAM-DOTOQJQBSA-N 0 3 313.445 3.295 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000599646681 401101511 /nfs/dbraw/zinc/10/15/11/401101511.db2.gz JXARPLCPGCUKBN-KURKYZTESA-N 0 3 312.413 3.030 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)Cc1ccncc1C#N ZINC000599661267 401106775 /nfs/dbraw/zinc/10/67/75/401106775.db2.gz RPQWPCHVMAAIFM-UHFFFAOYSA-N 0 3 308.429 3.037 20 30 DGEDHN COC(=O)[C@H]1CN(CCCC(C)(C)C#N)Cc2ccccc21 ZINC000599674261 401108448 /nfs/dbraw/zinc/10/84/48/401108448.db2.gz CABNDTSJUSEFSH-INIZCTEOSA-N 0 3 300.402 3.089 20 30 DGEDHN CO[C@@H](CN1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599676539 401109986 /nfs/dbraw/zinc/10/99/86/401109986.db2.gz BFVBMEPLLQOMAO-FQEVSTJZSA-N 0 3 306.409 3.498 20 30 DGEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1CCCCC1 ZINC000060598990 401128211 /nfs/dbraw/zinc/12/82/11/401128211.db2.gz SFRXKSYYIVIVQN-GOSISDBHSA-N 0 3 307.482 3.333 20 30 DGEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000084134400 401129108 /nfs/dbraw/zinc/12/91/08/401129108.db2.gz IUYYNYVCWIUFIU-HXUWFJFHSA-N 0 3 306.409 3.392 20 30 DGEDHN CCC(C#N)(CC)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000599612836 401090600 /nfs/dbraw/zinc/09/06/00/401090600.db2.gz MJEJCQPKRVSBKZ-QGZVFWFLSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCN1CCC(NC(=O)CC(C2CCC2)C2CCC2)CC1 ZINC000625322240 401098359 /nfs/dbraw/zinc/09/83/59/401098359.db2.gz BHZHYUZWHGFVMK-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C(C)C)c(O)cc2C)CC1 ZINC000088465137 401200730 /nfs/dbraw/zinc/20/07/30/401200730.db2.gz VLJNKDHPDTVFQP-UHFFFAOYSA-N 0 3 314.429 3.108 20 30 DGEDHN CCN(CC)c1ncc(CNCCc2ccc(C#N)cc2)s1 ZINC000594955659 401205819 /nfs/dbraw/zinc/20/58/19/401205819.db2.gz RGGCITWJBCYXAI-UHFFFAOYSA-N 0 3 314.458 3.193 20 30 DGEDHN N#CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCCC1 ZINC000066043798 401290819 /nfs/dbraw/zinc/29/08/19/401290819.db2.gz RMZITTXITVSZQG-UHFFFAOYSA-N 0 3 311.429 3.239 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC[C@](C)(O)CC)cc1OC ZINC000623407949 401510415 /nfs/dbraw/zinc/51/04/15/401510415.db2.gz AVBNIJNMKNWXOJ-MRXNPFEDSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](CC)CCO)cc1OC ZINC000623428174 401515282 /nfs/dbraw/zinc/51/52/82/401515282.db2.gz ASRYNFZWJUWOGN-ZDUSSCGKSA-N 0 3 313.825 3.164 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000631627972 401518311 /nfs/dbraw/zinc/51/83/11/401518311.db2.gz DXJBYTMZDSCKQL-WMZOPIPTSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H]2C[C@H](OC)C2)cc1OC ZINC000623808945 401581604 /nfs/dbraw/zinc/58/16/04/401581604.db2.gz KWRITHJTOJJWOP-JOCQHMNTSA-N 0 3 311.809 3.180 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@]2(C)C2CCCCC2)CC1 ZINC000636741296 401590677 /nfs/dbraw/zinc/59/06/77/401590677.db2.gz UQGYUFVRPIIWQU-LJQANCHMSA-N 0 3 319.493 3.391 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC(CC)(C2CC2)C2CC2)CC1 ZINC000636742699 401590687 /nfs/dbraw/zinc/59/06/87/401590687.db2.gz YHWIAETXIIXIAB-UHFFFAOYSA-N 0 3 319.493 3.295 20 30 DGEDHN C=C(C)COc1cc(CN(C)CC2(C)COC2)ccc1OC ZINC000628423284 401594821 /nfs/dbraw/zinc/59/48/21/401594821.db2.gz LTQJGZYXRQNVQG-UHFFFAOYSA-N 0 3 305.418 3.118 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CCO[C@H]2C=C)cc1OC ZINC000623539143 401542134 /nfs/dbraw/zinc/54/21/34/401542134.db2.gz BSFXLBLMUCTAMX-CABCVRRESA-N 0 3 323.820 3.347 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000492695284 298364796 /nfs/dbraw/zinc/36/47/96/298364796.db2.gz HLSVDWIZJFNTDU-CABCVRRESA-N 0 3 309.454 3.258 20 30 DGEDHN C[C@H](CCC#N)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495938717 298364822 /nfs/dbraw/zinc/36/48/22/298364822.db2.gz BKMPKHBWQWHSHO-ZIAGYGMSSA-N 0 3 309.454 3.304 20 30 DGEDHN Cn1cc(CNCCOc2ccc3ccccc3c2)cc1C#N ZINC000190733914 165212550 /nfs/dbraw/zinc/21/25/50/165212550.db2.gz FOTPVIKNUZHOCU-UHFFFAOYSA-N 0 3 305.381 3.219 20 30 DGEDHN Cc1cc(C(F)(F)F)c(C#N)c(SC[C@H]2CCN(C)C2)n1 ZINC000191023506 165226947 /nfs/dbraw/zinc/22/69/47/165226947.db2.gz AXEVJPMLSQPMEH-JTQLQIEISA-N 0 3 315.364 3.324 20 30 DGEDHN CN(C)c1cccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 ZINC000191380940 165246738 /nfs/dbraw/zinc/24/67/38/165246738.db2.gz QDOZWHRYWGCAPW-LJQANCHMSA-N 0 3 308.429 3.300 20 30 DGEDHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000245948614 165493490 /nfs/dbraw/zinc/49/34/90/165493490.db2.gz WDIXPPZOYAYIPK-HKHONHPRSA-N 0 3 304.459 3.289 20 30 DGEDHN CCC1(CC)CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000190415229 432153735 /nfs/dbraw/zinc/15/37/35/432153735.db2.gz YIGGCFWOIBUVAS-KRWDZBQOSA-N 0 3 305.466 3.087 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/Sc2ccccc2)CC1 ZINC000171723394 432164445 /nfs/dbraw/zinc/16/44/45/432164445.db2.gz MQSMTDKPIHRPKD-GXDHUFHOSA-N 0 3 302.443 3.059 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2CCC(CC)CC2)CC1 ZINC000171725953 432164851 /nfs/dbraw/zinc/16/48/51/432164851.db2.gz QTDWZOAPZHIXAM-UHFFFAOYSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(SC)c2)CC1 ZINC000171737315 432166457 /nfs/dbraw/zinc/16/64/57/432166457.db2.gz NYFHHOQZNNGLGP-UHFFFAOYSA-N 0 3 305.447 3.180 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000171737920 432167005 /nfs/dbraw/zinc/16/70/05/432167005.db2.gz LHFFXHJQSPSFIY-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000190608954 432175747 /nfs/dbraw/zinc/17/57/47/432175747.db2.gz KZAKAAWNBWSHMV-HNAYVOBHSA-N 0 3 319.408 3.010 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000190729801 432185360 /nfs/dbraw/zinc/18/53/60/432185360.db2.gz KAAJVMOPXQNDRY-LJQANCHMSA-N 0 3 315.461 3.369 20 30 DGEDHN C[C@@H](NCCOc1ncccc1Cl)c1ccc(C#N)cc1 ZINC000151044822 432214233 /nfs/dbraw/zinc/21/42/33/432214233.db2.gz IDMMFDQSIYQKMC-GFCCVEGCSA-N 0 3 301.777 3.336 20 30 DGEDHN CO[C@H](C)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000191139319 432225812 /nfs/dbraw/zinc/22/58/12/432225812.db2.gz PYCZPYYGIHDSJV-OAHLLOKOSA-N 0 3 310.397 3.262 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cccc2F)CC1 ZINC000182773421 432226835 /nfs/dbraw/zinc/22/68/35/432226835.db2.gz VJESNEOAMPOFII-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN Cc1ccc(C#N)c(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000132823711 196286957 /nfs/dbraw/zinc/28/69/57/196286957.db2.gz SXOLACFHYDTBFQ-GOSISDBHSA-N 0 3 306.413 3.338 20 30 DGEDHN N#CCCCCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136701286 227050246 /nfs/dbraw/zinc/05/02/46/227050246.db2.gz OHISZKSXKSOUEZ-CYBMUJFWSA-N 0 3 323.322 3.196 20 30 DGEDHN CN(C)[C@@H](CNC1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000158446653 228238050 /nfs/dbraw/zinc/23/80/50/228238050.db2.gz SQPMNIAHJSNSEN-HFCFLWKCSA-N 0 3 309.413 3.096 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000185837815 228398213 /nfs/dbraw/zinc/39/82/13/228398213.db2.gz HSHVCINCJWNZTN-NOLJZWGESA-N 0 3 317.820 3.117 20 30 DGEDHN Cc1ccc(NC(=O)NC2(C)CCCC2)c(OCCN(C)C)c1 ZINC000330900354 229008883 /nfs/dbraw/zinc/00/88/83/229008883.db2.gz WEDFECARLTVVEW-UHFFFAOYSA-N 0 3 319.449 3.403 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1 ZINC000332417735 229035855 /nfs/dbraw/zinc/03/58/55/229035855.db2.gz VKWCOOJWESMGCG-SUMWQHHRSA-N 0 3 315.392 3.168 20 30 DGEDHN COc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1OCCCC#N ZINC000342233304 229109454 /nfs/dbraw/zinc/10/94/54/229109454.db2.gz SHDZOLBKCUXTIU-CHWSQXEVSA-N 0 3 310.344 3.121 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338295338 229061915 /nfs/dbraw/zinc/06/19/15/229061915.db2.gz IIVCXVLHYMLWEC-QMTHXVAHSA-N 0 3 314.282 3.262 20 30 DGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000339067476 229074126 /nfs/dbraw/zinc/07/41/26/229074126.db2.gz KLZDZDSEOOOKMN-OGHNNQOOSA-N 0 3 312.417 3.313 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccc1Cl ZINC000340183888 229087031 /nfs/dbraw/zinc/08/70/31/229087031.db2.gz JCUIXPJKLBJUQC-GFCCVEGCSA-N 0 3 315.760 3.246 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000347955757 229193137 /nfs/dbraw/zinc/19/31/37/229193137.db2.gz KYGNVDSQDBBXOD-KDOFPFPSSA-N 0 3 303.365 3.118 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349803152 229218314 /nfs/dbraw/zinc/21/83/14/229218314.db2.gz PQMLDPQQHFUEBA-YPMHNXCESA-N 0 3 306.793 3.283 20 30 DGEDHN N#Cc1cnc(N[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000413052942 230120470 /nfs/dbraw/zinc/12/04/70/230120470.db2.gz ZCLWTXJCVLTQOV-KRWDZBQOSA-N 0 3 310.376 3.341 20 30 DGEDHN C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000413454151 230230656 /nfs/dbraw/zinc/23/06/56/230230656.db2.gz MSFRBFBGBLFMCN-OQMKEHIESA-N 0 3 319.836 3.282 20 30 DGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047453327 270003344 /nfs/dbraw/zinc/00/33/44/270003344.db2.gz ZTZXCUMYQOTXTR-AWEZNQCLSA-N 0 3 323.396 3.026 20 30 DGEDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N1CCCCC1 ZINC000104241649 264908498 /nfs/dbraw/zinc/90/84/98/264908498.db2.gz UCWMVWLOTNQROK-YJBOKZPZSA-N 0 3 313.445 3.246 20 30 DGEDHN COCCCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353026377 265271027 /nfs/dbraw/zinc/27/10/27/265271027.db2.gz KDOZNNIENZACBS-UHFFFAOYSA-N 0 3 320.408 3.357 20 30 DGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(NC(N)=O)cc1 ZINC000353262898 265367332 /nfs/dbraw/zinc/36/73/32/265367332.db2.gz 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/nfs/dbraw/zinc/03/07/09/267030709.db2.gz BNARVZRAICIWDJ-XEKGUZQTSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cc2ccc(F)cc2C#N)C1 ZINC000374078503 267032132 /nfs/dbraw/zinc/03/21/32/267032132.db2.gz BNARVZRAICIWDJ-RPTUDFQQSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@@H]1CSC[C@H]1NCc1ccc(C#N)cc1Br ZINC000352818836 267073505 /nfs/dbraw/zinc/07/35/05/267073505.db2.gz VBIQLRGPMIVENQ-NOZJJQNGSA-N 0 3 311.248 3.162 20 30 DGEDHN C[C@@H]1C[C@H](c2cccnc2)N(CCOc2cccc(C#N)c2)C1 ZINC000359868196 267092621 /nfs/dbraw/zinc/09/26/21/267092621.db2.gz HIIFVWWGWXSDTI-DNVCBOLYSA-N 0 3 307.397 3.415 20 30 DGEDHN C[C@@H]1Cc2ccccc2CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000357794988 267095277 /nfs/dbraw/zinc/09/52/77/267095277.db2.gz HLNBDLMUJMKZOP-OAHLLOKOSA-N 0 3 319.408 3.334 20 30 DGEDHN C[C@@H]1N(Cc2cn3ccccc3c2C#N)CCC12CCOCC2 ZINC000375236494 267096114 /nfs/dbraw/zinc/09/61/14/267096114.db2.gz GIHAMZNGHNZFQP-HNNXBMFYSA-N 0 3 309.413 3.202 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000361419620 267231140 /nfs/dbraw/zinc/23/11/40/267231140.db2.gz FTEBNJKCZYDRRJ-KRWDZBQOSA-N 0 3 305.425 3.265 20 30 DGEDHN C[C@H]1[C@@H](NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000404042971 267251024 /nfs/dbraw/zinc/25/10/24/267251024.db2.gz ICOUZMRAMFBPRN-YWZLYKJASA-N 0 3 323.415 3.450 20 30 DGEDHN Cc1cc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)ccc1C#N ZINC000353222817 267327158 /nfs/dbraw/zinc/32/71/58/267327158.db2.gz QYXFDAPRVUFDMR-WOJBJXKFSA-N 0 3 306.409 3.123 20 30 DGEDHN CN(c1ncc(C#N)cc1F)C1CCN(Cc2ccccc2)CC1 ZINC000413145028 267329007 /nfs/dbraw/zinc/32/90/07/267329007.db2.gz VCXAXYKXSXSRMO-UHFFFAOYSA-N 0 3 324.403 3.193 20 30 DGEDHN N#Cc1ccc(CNCCc2nc3ccccc3n2C(F)F)o1 ZINC000347833175 268074450 /nfs/dbraw/zinc/07/44/50/268074450.db2.gz CWGWUYSUTRLFEU-UHFFFAOYSA-N 0 3 316.311 3.228 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CO)CC(F)(F)F ZINC000360650529 268219358 /nfs/dbraw/zinc/21/93/58/268219358.db2.gz YEHGWQWDSSXJJH-UKRRQHHQSA-N 0 3 312.335 3.229 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367402657 268281925 /nfs/dbraw/zinc/28/19/25/268281925.db2.gz LITFUHZTBPKDRR-SJORKVTESA-N 0 3 314.429 3.076 20 30 DGEDHN C[C@@H](CC(=O)Nc1cccc(F)c1)NCc1cccc(C#N)c1 ZINC000151367755 432240704 /nfs/dbraw/zinc/24/07/04/432240704.db2.gz RKPQTOOLVHZJJL-ZDUSSCGKSA-N 0 3 311.360 3.204 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000270418670 432244796 /nfs/dbraw/zinc/24/47/96/432244796.db2.gz KILNLAKXUPOBJZ-HKUYNNGSSA-N 0 3 312.457 3.433 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000247878085 432251819 /nfs/dbraw/zinc/25/18/19/432251819.db2.gz YYOSKSGRFPMDTO-YQQAZPJKSA-N 0 3 307.482 3.151 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2NC(C)(C)C)CC1 ZINC000276725301 273478554 /nfs/dbraw/zinc/47/85/54/273478554.db2.gz SORWYQNRDBUVCJ-UHFFFAOYSA-N 0 3 313.445 3.181 20 30 DGEDHN N#CC(C(=O)c1csc(Cl)c1)c1nnc2n1CCCCC2 ZINC000191376577 432256563 /nfs/dbraw/zinc/25/65/63/432256563.db2.gz KEUZUFIHGROHNO-SNVBAGLBSA-N 0 3 320.805 3.209 20 30 DGEDHN CC(C)(C)OC(=O)NCCCCNCc1cc(C#N)cs1 ZINC000183096863 432257237 /nfs/dbraw/zinc/25/72/37/432257237.db2.gz XNLRRVAATHCOOS-UHFFFAOYSA-N 0 3 309.435 3.014 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000425198717 273805422 /nfs/dbraw/zinc/80/54/22/273805422.db2.gz GANAKDCLQLSJPJ-MRXNPFEDSA-N 0 3 324.384 3.051 20 30 DGEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1cccc(F)c1 ZINC000338356557 273805597 /nfs/dbraw/zinc/80/55/97/273805597.db2.gz KUCMPIFHQRTCCJ-SFHVURJKSA-N 0 3 324.403 3.296 20 30 DGEDHN COc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1C#N ZINC000269705825 274108371 /nfs/dbraw/zinc/10/83/71/274108371.db2.gz NTWYPYFKPZHEBK-HXUWFJFHSA-N 0 3 322.408 3.313 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCCC[C@@H]1C ZINC000338357654 274222743 /nfs/dbraw/zinc/22/27/43/274222743.db2.gz ROZJDSGTADGUHY-STQMWFEESA-N 0 3 318.396 3.082 20 30 DGEDHN C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)cc1 ZINC000126299657 274262660 /nfs/dbraw/zinc/26/26/60/274262660.db2.gz WSLKSZUTMNQZNX-CJNGLKHVSA-N 0 3 310.376 3.022 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000329967593 274314588 /nfs/dbraw/zinc/31/45/88/274314588.db2.gz VRGJGMCQKCXVTE-QKPAOTATSA-N 0 3 304.438 3.196 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000125651210 274922215 /nfs/dbraw/zinc/92/22/15/274922215.db2.gz ZJGJJQFLUGIQEA-CYBMUJFWSA-N 0 3 307.319 3.028 20 30 DGEDHN OC[C@H]([C@H](NCC#Cc1cccc(Cl)c1)C1CC1)C1CC1 ZINC000451613362 275049879 /nfs/dbraw/zinc/04/98/79/275049879.db2.gz QOBFXESIXYLKLE-ZWKOTPCHSA-N 0 3 303.833 3.078 20 30 DGEDHN O[C@@H]1CCC[C@H]1[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000451421256 275053860 /nfs/dbraw/zinc/05/38/60/275053860.db2.gz ODGICIJWMBKGDQ-OKZBNKHCSA-N 0 3 303.833 3.317 20 30 DGEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000173196671 275427537 /nfs/dbraw/zinc/42/75/37/275427537.db2.gz IJPOORHEGUFRGK-YJBOKZPZSA-N 0 3 313.445 3.039 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453362970 275743369 /nfs/dbraw/zinc/74/33/69/275743369.db2.gz QFVYGXMJRHUIQQ-DGCLKSJQSA-N 0 3 307.825 3.204 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](C2CC2)C1)C(C)C ZINC000489842116 275744119 /nfs/dbraw/zinc/74/41/19/275744119.db2.gz NAZRGNNPGQSIFT-MSOLQXFVSA-N 0 3 319.493 3.127 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC[C@H](N)c2ccccc2)CCCC1(C)C ZINC000418426342 275748769 /nfs/dbraw/zinc/74/87/69/275748769.db2.gz JRCDMGWCHSIZFM-IRXDYDNUSA-N 0 3 315.461 3.463 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1cnc(C)nc1C(C)C ZINC000330660192 276010692 /nfs/dbraw/zinc/01/06/92/276010692.db2.gz BCJMFKIYTWQTON-AWEZNQCLSA-N 0 3 304.438 3.087 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCCC2(CCCCC2)CC1 ZINC000346642310 276121477 /nfs/dbraw/zinc/12/14/77/276121477.db2.gz LFOQWSJWUQMYAZ-UHFFFAOYSA-N 0 3 305.466 3.185 20 30 DGEDHN CCC[C@H]1CN(CCC2(C#N)CCCCC2)CCN1CCOC ZINC000411434697 276289953 /nfs/dbraw/zinc/28/99/53/276289953.db2.gz ZZKOJBMGFIJDSU-SFHVURJKSA-N 0 3 321.509 3.283 20 30 DGEDHN CN(C)[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000450214975 276866808 /nfs/dbraw/zinc/86/68/08/276866808.db2.gz LGWXMHBILLXYSY-INIZCTEOSA-N 0 3 324.384 3.051 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC12CCCC2)C(C)C ZINC000474697186 276890972 /nfs/dbraw/zinc/89/09/72/276890972.db2.gz NDHWJFWJMGUTQC-IRXDYDNUSA-N 0 3 304.478 3.382 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC2CCN(CC=C)CC2)CCCC1(C)C ZINC000445093475 276910633 /nfs/dbraw/zinc/91/06/33/276910633.db2.gz PKRHYSHJRGSVDC-QGZVFWFLSA-N 0 3 319.493 3.413 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCC(C)(C)C#N)C[C@@H]2C1 ZINC000377757041 277195384 /nfs/dbraw/zinc/19/53/84/277195384.db2.gz CPRPYFWXYMORHI-LSDHHAIUSA-N 0 3 321.465 3.115 20 30 DGEDHN COC(=O)CCN(CC#Cc1ccc(Cl)cc1)CC(C)C ZINC000426410664 277316723 /nfs/dbraw/zinc/31/67/23/277316723.db2.gz JRFFDKUTXNAXLB-UHFFFAOYSA-N 0 3 307.821 3.213 20 30 DGEDHN CN(C)CCNc1ccc(-c2ccc(C#N)c(Cl)c2)cn1 ZINC000600774179 430533809 /nfs/dbraw/zinc/53/38/09/430533809.db2.gz CYDSOQAIWKAPDE-UHFFFAOYSA-N 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/nfs/dbraw/zinc/15/41/93/431154193.db2.gz QMOFQRKXTMEUJC-HNNXBMFYSA-N 0 3 313.376 3.357 20 30 DGEDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(CCCC#N)C2)cc1 ZINC000069016533 431156459 /nfs/dbraw/zinc/15/64/59/431156459.db2.gz SIQSENJMWBTHQE-MRXNPFEDSA-N 0 3 314.433 3.132 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000111257805 431206161 /nfs/dbraw/zinc/20/61/61/431206161.db2.gz GWWWNXTVRKYSGC-UONOGXRCSA-N 0 3 304.409 3.289 20 30 DGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000073477524 431371724 /nfs/dbraw/zinc/37/17/24/431371724.db2.gz FFAJLAWEBQTIMU-ZDUSSCGKSA-N 0 3 317.458 3.219 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000113313968 431341481 /nfs/dbraw/zinc/34/14/81/431341481.db2.gz GXOZGIIQLIOEJN-OAHLLOKOSA-N 0 3 323.392 3.321 20 30 DGEDHN C#CCCOc1ccc(CNCCC(=O)Nc2ccccc2)cc1 ZINC000113346790 431341960 /nfs/dbraw/zinc/34/19/60/431341960.db2.gz BPWNLKUGDANAOK-UHFFFAOYSA-N 0 3 322.408 3.207 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCC2CCCCC2)CC1 ZINC000115118466 431433724 /nfs/dbraw/zinc/43/37/24/431433724.db2.gz YXCVLZWMBVPKTL-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000116851301 431532707 /nfs/dbraw/zinc/53/27/07/431532707.db2.gz GJMUUZPZLWGOCG-GDBMZVCRSA-N 0 3 304.409 3.119 20 30 DGEDHN N#Cc1ccc(NC2CCN(CCc3ccccc3)CC2)nc1 ZINC000075669892 431492085 /nfs/dbraw/zinc/49/20/85/431492085.db2.gz WLQYPKKGPTYKBF-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1ccc(C#N)cc1 ZINC000075825816 431500779 /nfs/dbraw/zinc/50/07/79/431500779.db2.gz OUPDIKPXKPHNPP-UHFFFAOYSA-N 0 3 320.440 3.231 20 30 DGEDHN CCOc1ccc(C#N)cc1NC(=O)[C@H](CC)N(CC)CC ZINC000265528961 279951930 /nfs/dbraw/zinc/95/19/30/279951930.db2.gz OUZNJKSCYGWOGU-HNNXBMFYSA-N 0 3 303.406 3.016 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000116972222 431540119 /nfs/dbraw/zinc/54/01/19/431540119.db2.gz BUWOUHAAPLMEOD-DOTOQJQBSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000116944658 431540469 /nfs/dbraw/zinc/54/04/69/431540469.db2.gz CGFIAXDSVWDROU-MRXNPFEDSA-N 0 3 315.461 3.223 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000117874447 431581998 /nfs/dbraw/zinc/58/19/98/431581998.db2.gz UAGXZTZUQBZLHO-UHFFFAOYSA-N 0 3 306.837 3.454 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000078544988 431679569 /nfs/dbraw/zinc/67/95/69/431679569.db2.gz LVVFRANQQYHUMJ-OAHLLOKOSA-N 0 3 301.434 3.006 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000120266054 431725695 /nfs/dbraw/zinc/72/56/95/431725695.db2.gz GPMLQQXMYJVENZ-WFASDCNBSA-N 0 3 307.825 3.141 20 30 DGEDHN C=CCOc1ccc(CNC[C@@](C)(O)CSC)cc1Cl ZINC000120681478 431730924 /nfs/dbraw/zinc/73/09/24/431730924.db2.gz QSGSLSBNLATIHX-OAHLLOKOSA-N 0 3 315.866 3.108 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccnn2C(CC)CC)CC1 ZINC000120896105 431737901 /nfs/dbraw/zinc/73/79/01/431737901.db2.gz WOVIFMCIJVMCQN-UHFFFAOYSA-N 0 3 318.465 3.015 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCN(C)CC12CCCCC2 ZINC000121151884 431748901 /nfs/dbraw/zinc/74/89/01/431748901.db2.gz HRYQEXMYCCHGNF-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1nnc(C)c(C)c1C#N)C(C)C ZINC000029525779 431723323 /nfs/dbraw/zinc/72/33/23/431723323.db2.gz GZBUVJCQDRXKRJ-QGZVFWFLSA-N 0 3 313.449 3.076 20 30 DGEDHN N#CCSCCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121841422 431805834 /nfs/dbraw/zinc/80/58/34/431805834.db2.gz LGGDYJJBILRGER-CYBMUJFWSA-N 0 3 308.472 3.432 20 30 DGEDHN CN(CC1CCCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083133651 431806688 /nfs/dbraw/zinc/80/66/88/431806688.db2.gz CZZXFUHDIVRMER-OAHLLOKOSA-N 0 3 317.458 3.237 20 30 DGEDHN N#Cc1cccc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084133803 431816159 /nfs/dbraw/zinc/81/61/59/431816159.db2.gz SERUCQLRDBJTDK-HXUWFJFHSA-N 0 3 306.409 3.392 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C#N)cs1)C(C)C ZINC000084168350 431817154 /nfs/dbraw/zinc/81/71/54/431817154.db2.gz MJIDHEXTKGZHOX-OAHLLOKOSA-N 0 3 317.458 3.048 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@H]2CSC)cc(OC)c1O ZINC000093760965 431916671 /nfs/dbraw/zinc/91/66/71/431916671.db2.gz OFKYTKFHKCTUOO-OAHLLOKOSA-N 0 3 307.459 3.457 20 30 DGEDHN C#CCN(Cc1cc(OC)c(OC)c(OC)c1)C1CCCC1 ZINC000093819810 431916844 /nfs/dbraw/zinc/91/68/44/431916844.db2.gz AHYJFXSEKUXKDG-UHFFFAOYSA-N 0 3 303.402 3.090 20 30 DGEDHN CC(C)C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000123774930 431874119 /nfs/dbraw/zinc/87/41/19/431874119.db2.gz BQTCJHNYGNURPY-IEBWSBKVSA-N 0 3 313.445 3.172 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000123778205 431874220 /nfs/dbraw/zinc/87/42/20/431874220.db2.gz NOYUIHWZACLEGQ-QGZVFWFLSA-N 0 3 303.446 3.474 20 30 DGEDHN CN(CCC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000046529033 431898105 /nfs/dbraw/zinc/89/81/05/431898105.db2.gz WZFDGNYMTRELIJ-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](N3CC=CC3)C2)c1 ZINC000125650997 431932792 /nfs/dbraw/zinc/93/27/92/431932792.db2.gz ZJGJJQFLUGIQEA-ZDUSSCGKSA-N 0 3 307.319 3.028 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cn1 ZINC000048852127 431933199 /nfs/dbraw/zinc/93/31/99/431933199.db2.gz BWAMYYADDSONHW-CQSZACIVSA-N 0 3 303.321 3.128 20 30 DGEDHN N#Cc1ccc(CN(CCCO)[C@H]2CCc3ccccc32)s1 ZINC000126185566 431944301 /nfs/dbraw/zinc/94/43/01/431944301.db2.gz MKRCIEZWOOXITL-SFHVURJKSA-N 0 3 312.438 3.492 20 30 DGEDHN Cc1ccccc1[C@@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000126877895 431959959 /nfs/dbraw/zinc/95/99/59/431959959.db2.gz YWYAMTIQNYYMBN-SYYJFZTOSA-N 0 3 306.409 3.242 20 30 DGEDHN CC[C@H](C)N(CC(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000101546302 431985586 /nfs/dbraw/zinc/98/55/86/431985586.db2.gz XXAHUKSNWDKLON-INIZCTEOSA-N 0 3 301.434 3.049 20 30 DGEDHN COc1ccc(CN[C@H](C)C[C@H](O)c2ccccc2)cc1C#N ZINC000270702813 432279221 /nfs/dbraw/zinc/27/92/21/432279221.db2.gz YNQUEFHCQXYNAZ-KDOFPFPSSA-N 0 3 310.397 3.169 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@@H]1C ZINC000248367710 432281928 /nfs/dbraw/zinc/28/19/28/432281928.db2.gz UJCHXSBDXHCFOZ-GRYCIOLGSA-N 0 3 305.809 3.269 20 30 DGEDHN COc1cccc(COCCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000152087582 432303060 /nfs/dbraw/zinc/30/30/60/432303060.db2.gz UKXNCUSOAKJEMU-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105649 432333394 /nfs/dbraw/zinc/33/33/94/432333394.db2.gz FUHQQZWYFLXCEQ-APHBMKBZSA-N 0 3 313.800 3.226 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCC1 ZINC000249580120 432351930 /nfs/dbraw/zinc/35/19/30/432351930.db2.gz NBQGYIBIKSVJBF-SJLPKXTDSA-N 0 3 312.457 3.370 20 30 DGEDHN C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000192932363 432430045 /nfs/dbraw/zinc/43/00/45/432430045.db2.gz XCGKNQVFUKJSIC-CQSZACIVSA-N 0 3 324.380 3.211 20 30 DGEDHN N#Cc1csc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000184790700 432432920 /nfs/dbraw/zinc/43/29/20/432432920.db2.gz HZUYVGACYUBVNB-GOSISDBHSA-N 0 3 312.438 3.393 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)s1 ZINC000184788732 432433610 /nfs/dbraw/zinc/43/36/10/432433610.db2.gz QIAXWQNPFVWMOR-SFHVURJKSA-N 0 3 312.438 3.393 20 30 DGEDHN COC(=O)CCCN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272065524 432439462 /nfs/dbraw/zinc/43/94/62/432439462.db2.gz XRBBERSGYQGFGO-UHFFFAOYSA-N 0 3 302.418 3.382 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000193021852 432440855 /nfs/dbraw/zinc/44/08/55/432440855.db2.gz APKDZAGGXCKWRB-DGCLKSJQSA-N 0 3 313.323 3.151 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000193021839 432441020 /nfs/dbraw/zinc/44/10/20/432441020.db2.gz APKDZAGGXCKWRB-AAEUAGOBSA-N 0 3 313.323 3.151 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000192741219 432409449 /nfs/dbraw/zinc/40/94/49/432409449.db2.gz MOTHQVQRUGROFC-YPMHNXCESA-N 0 3 306.793 3.283 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000255676891 432412670 /nfs/dbraw/zinc/41/26/70/432412670.db2.gz NKXNLSHZMDJEFS-XQRVVYSFSA-N 0 3 310.850 3.181 20 30 DGEDHN C[C@H](NC[C@H](O)c1ccccc1F)c1ccc(OCC#N)cc1 ZINC000271784300 432423644 /nfs/dbraw/zinc/42/36/44/432423644.db2.gz GOTYHOBJBHPVGC-UGSOOPFHSA-N 0 3 314.360 3.112 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000271758033 432425000 /nfs/dbraw/zinc/42/50/00/432425000.db2.gz UYHPLSCAQPPKBP-FUHWJXTLSA-N 0 3 313.445 3.292 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](c1nccn1C)C1CC1)C(C)C ZINC000271850356 432426365 /nfs/dbraw/zinc/42/63/65/432426365.db2.gz VYWNHMQKVJKPDO-ZWKOTPCHSA-N 0 3 316.493 3.159 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(F)cc2F)CC1 ZINC000176322002 432511183 /nfs/dbraw/zinc/51/11/83/432511183.db2.gz LJQDYTOBOWMOPS-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3ccnc3)cc2)n1 ZINC000193268401 432461202 /nfs/dbraw/zinc/46/12/02/432461202.db2.gz OESHJTKHKWUFJR-AWEZNQCLSA-N 0 3 308.366 3.127 20 30 DGEDHN C=CCCCCCN1CCN(CCOc2ccccc2)CC1 ZINC000193301861 432462422 /nfs/dbraw/zinc/46/24/22/432462422.db2.gz PTHOWAKSMPPJIE-UHFFFAOYSA-N 0 3 302.462 3.429 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)Cc1ccccc1 ZINC000194533647 432558146 /nfs/dbraw/zinc/55/81/46/432558146.db2.gz KECMFEFKMQNKFC-FQEVSTJZSA-N 0 3 306.409 3.150 20 30 DGEDHN C=CC[C@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000176867674 432561032 /nfs/dbraw/zinc/56/10/32/432561032.db2.gz UMTPCXQKBQZELD-IRXDYDNUSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000154909130 432528077 /nfs/dbraw/zinc/52/80/77/432528077.db2.gz BGUJVAHROFFHHM-OAHLLOKOSA-N 0 3 301.434 3.039 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cn(C)nc1-c1cccnc1 ZINC000272593513 432529060 /nfs/dbraw/zinc/52/90/60/432529060.db2.gz IECIKHIOQOZAGP-UHFFFAOYSA-N 0 3 322.412 3.306 20 30 DGEDHN CC(C)(C#N)CCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272597407 432531616 /nfs/dbraw/zinc/53/16/16/432531616.db2.gz YCOUJWUHDJMTBV-UHFFFAOYSA-N 0 3 314.355 3.479 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000185778184 432531775 /nfs/dbraw/zinc/53/17/75/432531775.db2.gz CYDKUIFLDDOSNI-WCQYABFASA-N 0 3 313.323 3.195 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000185782821 432532679 /nfs/dbraw/zinc/53/26/79/432532679.db2.gz ONLNTUDDLMSFOP-RYQLBKOJSA-N 0 3 311.429 3.022 20 30 DGEDHN C#CCC(C)(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000186177551 432566264 /nfs/dbraw/zinc/56/62/64/432566264.db2.gz AMBSHTRZKGMGSO-OAHLLOKOSA-N 0 3 300.446 3.282 20 30 DGEDHN Cc1ccc([C@@H](CNCc2ccc(C#N)s2)N2CCCC2)o1 ZINC000176960058 432569124 /nfs/dbraw/zinc/56/91/24/432569124.db2.gz PGJDTIKIQHACSN-MRXNPFEDSA-N 0 3 315.442 3.448 20 30 DGEDHN C=CCCC[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186233817 432571847 /nfs/dbraw/zinc/57/18/47/432571847.db2.gz YHSYSRGRQUAZBR-CVEARBPZSA-N 0 3 309.475 3.492 20 30 DGEDHN Clc1ccc(C#CCN2CCN(C3CCCC3)CC2)cc1 ZINC000177018385 432576415 /nfs/dbraw/zinc/57/64/15/432576415.db2.gz XTHHXNXWGKIFRZ-UHFFFAOYSA-N 0 3 302.849 3.252 20 30 DGEDHN CCCNC(=O)C1(NCc2ccc(C#N)cc2C)CCCCC1 ZINC000186302780 432579910 /nfs/dbraw/zinc/57/99/10/432579910.db2.gz OFBDEPIUQZLGOB-UHFFFAOYSA-N 0 3 313.445 3.185 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186335405 432583211 /nfs/dbraw/zinc/58/32/11/432583211.db2.gz CXFWIDONGDCSMK-HXUWFJFHSA-N 0 3 304.393 3.498 20 30 DGEDHN COC(=O)c1ccccc1CCN(C)Cc1ccc(C#N)cc1 ZINC000186495351 432600857 /nfs/dbraw/zinc/60/08/57/432600857.db2.gz FFXHZWQOUOEUQJ-UHFFFAOYSA-N 0 3 308.381 3.019 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000273489049 432604198 /nfs/dbraw/zinc/60/41/98/432604198.db2.gz MVBZDLPCPLJNGF-WMLDXEAASA-N 0 3 300.333 3.300 20 30 DGEDHN CCN(Cc1ccc(OCC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000264153521 432619693 /nfs/dbraw/zinc/61/96/93/432619693.db2.gz QWAUEVMMQBCHER-UHFFFAOYSA-N 0 3 324.380 3.340 20 30 DGEDHN C[C@@H](NCCCCC#N)c1cc(Br)ncc1F ZINC000273873009 432631647 /nfs/dbraw/zinc/63/16/47/432631647.db2.gz PDCUTPVHUSYSRP-SECBINFHSA-N 0 3 300.175 3.328 20 30 DGEDHN CC[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)N(CC)CC ZINC000274080550 432634531 /nfs/dbraw/zinc/63/45/31/432634531.db2.gz QPXJBQHCWGDNCP-IAGOWNOFSA-N 0 3 301.434 3.268 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2(c3ccccc3)CC2)CC1 ZINC000264336614 432637533 /nfs/dbraw/zinc/63/75/33/432637533.db2.gz AUJAGNUZISSESP-UHFFFAOYSA-N 0 3 313.445 3.015 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccco2)C(C)C)CC1 ZINC000264424758 432644443 /nfs/dbraw/zinc/64/44/43/432644443.db2.gz VIIWRRRIIOOJCW-UHFFFAOYSA-N 0 3 319.449 3.240 20 30 DGEDHN C=C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000264477575 432649854 /nfs/dbraw/zinc/64/98/54/432649854.db2.gz PGJDWQVJYAGKAV-UHFFFAOYSA-N 0 3 303.793 3.192 20 30 DGEDHN COc1ccc(OCCCNCc2cc(C#N)cs2)cc1 ZINC000177690016 432650644 /nfs/dbraw/zinc/65/06/44/432650644.db2.gz PRMPSXILMWSZOK-UHFFFAOYSA-N 0 3 302.399 3.187 20 30 DGEDHN COc1cccc(O[C@H](C)CNCc2cc(C#N)cs2)c1 ZINC000177706977 432652571 /nfs/dbraw/zinc/65/25/71/432652571.db2.gz QWPBHYURMGXZCZ-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN CC#CCCCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000274381482 432658812 /nfs/dbraw/zinc/65/88/12/432658812.db2.gz YWIAYGHTHIGGFV-UHFFFAOYSA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCOc1ccc(CN2CCC(CC(=O)OCC)CC2)cc1 ZINC000159037419 432666481 /nfs/dbraw/zinc/66/64/81/432666481.db2.gz AOMMKSOLGQENEG-UHFFFAOYSA-N 0 3 317.429 3.417 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000265105406 432666633 /nfs/dbraw/zinc/66/66/33/432666633.db2.gz AAQSWVCKGYCKRT-RDTXWAMCSA-N 0 3 305.381 3.014 20 30 DGEDHN CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)N(CC)CC ZINC000265428542 432698330 /nfs/dbraw/zinc/69/83/30/432698330.db2.gz MAHQNADWJOXBFZ-QGZVFWFLSA-N 0 3 317.433 3.428 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159992714 432703009 /nfs/dbraw/zinc/70/30/09/432703009.db2.gz MCBCHMVUSUIPPA-WMZOPIPTSA-N 0 3 315.461 3.115 20 30 DGEDHN COc1ccc([C@@H](CNc2cccc(C#N)n2)N2CCCC2)cc1 ZINC000265512695 432706586 /nfs/dbraw/zinc/70/65/86/432706586.db2.gz KSCQJQCQZZWWSX-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN CCOc1ccc(C#N)cc1NC(=O)[C@@H](CC)N(CC)CC ZINC000265528965 432707618 /nfs/dbraw/zinc/70/76/18/432707618.db2.gz OUZNJKSCYGWOGU-OAHLLOKOSA-N 0 3 303.406 3.016 20 30 DGEDHN C=C(C)[C@H](NCCCc1nc(C)no1)c1ccc(F)c(F)c1 ZINC000274841691 432714993 /nfs/dbraw/zinc/71/49/93/432714993.db2.gz CZMCWVBPBWMNTH-INIZCTEOSA-N 0 3 307.344 3.496 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@H]1CCCN(C)C1)c1ccccc1 ZINC000275122000 432724171 /nfs/dbraw/zinc/72/41/71/432724171.db2.gz IAFXUUNFGDXUGQ-WMZOPIPTSA-N 0 3 300.446 3.147 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Cc2nccn2C)CC1 ZINC000187683853 432676986 /nfs/dbraw/zinc/67/69/86/432676986.db2.gz UPMZUCDIQDSLQU-OAHLLOKOSA-N 0 3 308.429 3.307 20 30 DGEDHN CCC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1CCOC ZINC000187712581 432678143 /nfs/dbraw/zinc/67/81/43/432678143.db2.gz XVEOHZWMKBWAEG-QFBILLFUSA-N 0 3 315.461 3.052 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1nccnc1C)C(C)C ZINC000187756836 432682826 /nfs/dbraw/zinc/68/28/26/432682826.db2.gz RSNJKFFSUDKLEY-SJORKVTESA-N 0 3 302.466 3.134 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000224671234 432683447 /nfs/dbraw/zinc/68/34/47/432683447.db2.gz PCNBXZPQVKUUQR-MLGOLLRUSA-N 0 3 302.399 3.035 20 30 DGEDHN CC(C)Oc1cccc([C@@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000265331806 432690779 /nfs/dbraw/zinc/69/07/79/432690779.db2.gz WADQPPKCIPQZJV-IBGZPJMESA-N 0 3 310.397 3.169 20 30 DGEDHN CC(C)(C#N)CCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000266001789 432750744 /nfs/dbraw/zinc/75/07/44/432750744.db2.gz LDVGNKYQTICIHH-UHFFFAOYSA-N 0 3 317.408 3.416 20 30 DGEDHN C=CCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000276172818 432779051 /nfs/dbraw/zinc/77/90/51/432779051.db2.gz SULURCGRHRNFDL-UHFFFAOYSA-N 0 3 300.362 3.003 20 30 DGEDHN COc1ccc(OCCN(C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160554541 432729603 /nfs/dbraw/zinc/72/96/03/432729603.db2.gz LDQUNUGJHRXFHR-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(C#N)o2)CC1 ZINC000232176297 432735988 /nfs/dbraw/zinc/73/59/88/432735988.db2.gz HOCVVJPEYCIQRK-ZDUSSCGKSA-N 0 3 319.405 3.030 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cccc(C#N)n1 ZINC000267188488 432820027 /nfs/dbraw/zinc/82/00/27/432820027.db2.gz GXZDKWGQLUKIAA-MAUKXSAKSA-N 0 3 306.413 3.276 20 30 DGEDHN C=CCN1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276589845 432821284 /nfs/dbraw/zinc/82/12/84/432821284.db2.gz JLAXJPWZWMZZHX-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN CCN1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000267538135 432835162 /nfs/dbraw/zinc/83/51/62/432835162.db2.gz UJHHEGWWCMIYHJ-UHFFFAOYSA-N 0 3 310.363 3.085 20 30 DGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nc(C(F)(F)F)ccc1C#N ZINC000267533502 432835233 /nfs/dbraw/zinc/83/52/33/432835233.db2.gz LWSRURMNRVWFMY-OLZOCXBDSA-N 0 3 324.350 3.035 20 30 DGEDHN CC(C)C[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245494643 432837039 /nfs/dbraw/zinc/83/70/39/432837039.db2.gz NVWOQZNBRBIGSH-WMZOPIPTSA-N 0 3 311.429 3.032 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000178887517 432785600 /nfs/dbraw/zinc/78/56/00/432785600.db2.gz QDOILRZKNFQTGE-BRWVUGGUSA-N 0 3 304.478 3.360 20 30 DGEDHN C[C@H](CCC#N)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000276262866 432789616 /nfs/dbraw/zinc/78/96/16/432789616.db2.gz BLWYHZNRFCDLAG-CYBMUJFWSA-N 0 3 303.381 3.168 20 30 DGEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000189485735 432791535 /nfs/dbraw/zinc/79/15/35/432791535.db2.gz WCFLDZBJPDUIRG-CHWSQXEVSA-N 0 3 323.487 3.212 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000179002786 432795255 /nfs/dbraw/zinc/79/52/55/432795255.db2.gz RQXPKPHOYHDHSQ-UAGQMJEPSA-N 0 3 300.377 3.135 20 30 DGEDHN C=CCCN(C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000276517295 432814509 /nfs/dbraw/zinc/81/45/09/432814509.db2.gz YJCOYSBMORQNKW-AWEZNQCLSA-N 0 3 300.402 3.460 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245843659 432865087 /nfs/dbraw/zinc/86/50/87/432865087.db2.gz BSUAUODRGWZFJG-IXDOHACOSA-N 0 3 313.445 3.300 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCCC[C@H]2O)cc1OC ZINC000245991306 432874187 /nfs/dbraw/zinc/87/41/87/432874187.db2.gz QUSGTIPMHMUNLF-DLBZAZTESA-N 0 3 319.445 3.243 20 30 DGEDHN [O-]C(=[NH+]C[C@H]1CCc2nccn2C1)N1CCC2(CCCC2)CC1 ZINC000329964392 432885108 /nfs/dbraw/zinc/88/51/08/432885108.db2.gz TWOQBXVUZYNKMI-OAHLLOKOSA-N 0 3 316.449 3.016 20 30 DGEDHN C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000329960128 432885427 /nfs/dbraw/zinc/88/54/27/432885427.db2.gz NSXYJBIOFMCORI-AWEZNQCLSA-N 0 3 309.413 3.197 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296249403 432888940 /nfs/dbraw/zinc/88/89/40/432888940.db2.gz XUNOESOWJYZWME-BZUAXINKSA-N 0 3 302.805 3.259 20 30 DGEDHN C=CCN(CCCSCCOC)Cc1cccc(C#N)c1 ZINC000278330286 432890609 /nfs/dbraw/zinc/89/06/09/432890609.db2.gz DHXUCWMFTOMFMI-UHFFFAOYSA-N 0 3 304.459 3.316 20 30 DGEDHN CC(C)(C#N)CCCN1CCC(Oc2ncccc2F)CC1 ZINC000278375916 432891677 /nfs/dbraw/zinc/89/16/77/432891677.db2.gz TUQKTABXFFAAJR-UHFFFAOYSA-N 0 3 305.397 3.394 20 30 DGEDHN C[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)N1CCc2ccccc2C1 ZINC000330104011 432893032 /nfs/dbraw/zinc/89/30/32/432893032.db2.gz HHIYRYOPMBODCP-CXAGYDPISA-N 0 3 324.428 3.190 20 30 DGEDHN COCCOCc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000289128259 432925756 /nfs/dbraw/zinc/92/57/56/432925756.db2.gz OGFGWCWLHQLIGZ-UHFFFAOYSA-N 0 3 324.424 3.353 20 30 DGEDHN C[C@@H](Cc1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279182815 432943363 /nfs/dbraw/zinc/94/33/63/432943363.db2.gz BQMVCAGNWYWYQV-BBRMVZONSA-N 0 3 323.421 3.049 20 30 DGEDHN C[C@H](Cc1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279182817 432943420 /nfs/dbraw/zinc/94/34/20/432943420.db2.gz BQMVCAGNWYWYQV-CZUORRHYSA-N 0 3 323.421 3.049 20 30 DGEDHN C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(F)c1-c1nnc[n-]1 ZINC000330293202 432901808 /nfs/dbraw/zinc/90/18/08/432901808.db2.gz DNXWAMUKJQGFTQ-PHIMTYICSA-N 0 3 317.368 3.072 20 30 DGEDHN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(F)c1-c1nnc[n-]1 ZINC000330293202 432901812 /nfs/dbraw/zinc/90/18/12/432901812.db2.gz DNXWAMUKJQGFTQ-PHIMTYICSA-N 0 3 317.368 3.072 20 30 DGEDHN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1C(C)C ZINC000330393547 432906433 /nfs/dbraw/zinc/90/64/33/432906433.db2.gz KRNCKHAZWWXXRC-SMDDNHRTSA-N 0 3 319.449 3.436 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289027663 432914554 /nfs/dbraw/zinc/91/45/54/432914554.db2.gz OKURISDTLKYBHN-OKILXGFUSA-N 0 3 318.383 3.240 20 30 DGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000289672953 432972040 /nfs/dbraw/zinc/97/20/40/432972040.db2.gz HHGGFRLCOHGXKJ-ONGXEEELSA-N 0 3 303.374 3.207 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC23CCCCC3)cc1 ZINC000280066171 433002087 /nfs/dbraw/zinc/00/20/87/433002087.db2.gz MZLRLIDNGFMPBE-IRXDYDNUSA-N 0 3 307.397 3.080 20 30 DGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)c1 ZINC000289718984 432973047 /nfs/dbraw/zinc/97/30/47/432973047.db2.gz CUEXTUOJLZDPGN-KRWDZBQOSA-N 0 3 308.429 3.440 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000289751733 432973813 /nfs/dbraw/zinc/97/38/13/432973813.db2.gz HQFPOFQMXKDTBN-PKOBYXMFSA-N 0 3 315.461 3.199 20 30 DGEDHN Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279734753 432991508 /nfs/dbraw/zinc/99/15/08/432991508.db2.gz OCCGLRPUTXYEDQ-IBGZPJMESA-N 0 3 317.392 3.208 20 30 DGEDHN C[C@@H]1CCC[C@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279699908 432991580 /nfs/dbraw/zinc/99/15/80/432991580.db2.gz JGFOAUDZROYMCG-JLSDUUJJSA-N 0 3 309.413 3.278 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000279802872 432992765 /nfs/dbraw/zinc/99/27/65/432992765.db2.gz WNPHXTPCEMVJBJ-KXBFYZLASA-N 0 3 317.392 3.160 20 30 DGEDHN CC(C)CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279902303 432997408 /nfs/dbraw/zinc/99/74/08/432997408.db2.gz DMLWTVITIYLOGD-KRWDZBQOSA-N 0 3 311.429 3.429 20 30 DGEDHN CCC1(CC)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279905327 432998127 /nfs/dbraw/zinc/99/81/27/432998127.db2.gz DSCBYKHKZKRNSW-KRWDZBQOSA-N 0 3 309.413 3.279 20 30 DGEDHN CC1(C)CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280058271 433001060 /nfs/dbraw/zinc/00/10/60/433001060.db2.gz PIQKDXKJMRKHOO-DLBZAZTESA-N 0 3 309.413 3.326 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)s1)Cc1cccc(F)c1 ZINC000289445886 432962314 /nfs/dbraw/zinc/96/23/14/432962314.db2.gz MQMBNZUYIGYCTI-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN CC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279398518 432963742 /nfs/dbraw/zinc/96/37/42/432963742.db2.gz MFJSHKDADSHHDY-UHFFFAOYSA-N 0 3 309.417 3.091 20 30 DGEDHN Cc1ccccc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280141181 433005567 /nfs/dbraw/zinc/00/55/67/433005567.db2.gz ZZFBFEFAFBXFJM-IBGZPJMESA-N 0 3 317.392 3.208 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(Cl)c2F)CC1 ZINC000290194590 433010941 /nfs/dbraw/zinc/01/09/41/433010941.db2.gz HEMJKGODOZKZFE-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C#C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C(C)(C)C ZINC000290193994 433011052 /nfs/dbraw/zinc/01/10/52/433011052.db2.gz OZHIBLKQFOOLDD-KRWDZBQOSA-N 0 3 306.413 3.096 20 30 DGEDHN CN1CCC(N(Cc2ccco2)Cc2ccc(C#N)cc2)CC1 ZINC000290302631 433028794 /nfs/dbraw/zinc/02/87/94/433028794.db2.gz BLCSRABXFNZNAD-UHFFFAOYSA-N 0 3 309.413 3.248 20 30 DGEDHN Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)cc(C#N)n1 ZINC000341336376 433031504 /nfs/dbraw/zinc/03/15/04/433031504.db2.gz BVBSXEHROWWQGA-KRWDZBQOSA-N 0 3 310.401 3.494 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000280348935 433039024 /nfs/dbraw/zinc/03/90/24/433039024.db2.gz IFHJLHLZMZGRHR-DTDBQYNISA-N 0 3 309.413 3.181 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000298069467 433046080 /nfs/dbraw/zinc/04/60/80/433046080.db2.gz BRGVISOOHLSBLS-KRWDZBQOSA-N 0 3 313.376 3.217 20 30 DGEDHN C=CCc1cc(CN2CCCC[C@H]2C[C@H](C)O)cc(OC)c1O ZINC000280436003 433050925 /nfs/dbraw/zinc/05/09/25/433050925.db2.gz JXTXFLMWPFAXSL-YOEHRIQHSA-N 0 3 319.445 3.255 20 30 DGEDHN C[C@@H](CCC#N)N(C)C[C@H](O)c1ccccc1Br ZINC000298070261 433046525 /nfs/dbraw/zinc/04/65/25/433046525.db2.gz GXYMOFJYKVRRGZ-FZMZJTMJSA-N 0 3 311.223 3.107 20 30 DGEDHN CC(C#N)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000344390877 289235800 /nfs/dbraw/zinc/23/58/00/289235800.db2.gz SRMLHKAHIKCQBQ-YGRLFVJLSA-N 0 3 302.424 3.443 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CCCC1 ZINC000344269635 289257779 /nfs/dbraw/zinc/25/77/79/289257779.db2.gz ZOPGBYCBUKWZOE-MRXNPFEDSA-N 0 3 313.445 3.444 20 30 DGEDHN C#C[C@@H](C)N(C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000491808137 433069274 /nfs/dbraw/zinc/06/92/74/433069274.db2.gz VKCZVCCGZOJFHH-CYBMUJFWSA-N 0 3 301.365 3.070 20 30 DGEDHN N#CC[C@H](CC(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000354418585 433070332 /nfs/dbraw/zinc/07/03/32/433070332.db2.gz IMGFZMORZVGGBI-GOSISDBHSA-N 0 3 313.445 3.066 20 30 DGEDHN C#CCCCC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000372938684 433064955 /nfs/dbraw/zinc/06/49/55/433064955.db2.gz LQCGKABXWVPCDH-UHFFFAOYSA-N 0 3 312.457 3.127 20 30 DGEDHN Cc1csc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000419832478 433072273 /nfs/dbraw/zinc/07/22/73/433072273.db2.gz JQHZNJQETAKJJK-SECBINFHSA-N 0 3 320.443 3.451 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000290529212 433085203 /nfs/dbraw/zinc/08/52/03/433085203.db2.gz QOXWFVAXBZOZOE-GOSISDBHSA-N 0 3 309.413 3.376 20 30 DGEDHN CCC1(CC)CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000446732659 433092669 /nfs/dbraw/zinc/09/26/69/433092669.db2.gz USFNNEZLDQGRSC-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN CCCCCCCCC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373225771 433135462 /nfs/dbraw/zinc/13/54/62/433135462.db2.gz AZPAFUAKHVYTDQ-UHFFFAOYSA-N 0 3 320.481 3.839 20 30 DGEDHN C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000341563258 433138233 /nfs/dbraw/zinc/13/82/33/433138233.db2.gz JPKWCXGTRWXVAM-STQMWFEESA-N 0 3 302.378 3.141 20 30 DGEDHN C=CCn1c(C)cc(C(=O)CN2CCNCc3ccccc32)c1C ZINC000420284018 433144603 /nfs/dbraw/zinc/14/46/03/433144603.db2.gz CGUNWCLFIRKERB-UHFFFAOYSA-N 0 3 323.440 3.083 20 30 DGEDHN C=CCSCCN[C@H](C)c1ccc(Br)nc1 ZINC000290601126 433113642 /nfs/dbraw/zinc/11/36/42/433113642.db2.gz HFWLHJBKZUEUDL-SNVBAGLBSA-N 0 3 301.253 3.414 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412242817 433119464 /nfs/dbraw/zinc/11/94/64/433119464.db2.gz DTMZBZGPBKDZFP-JYJNAYRXSA-N 0 3 304.434 3.098 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)CC1(OC)CCCCC1 ZINC000361495824 433207296 /nfs/dbraw/zinc/20/72/96/433207296.db2.gz HLMFVGSPIUMUOB-UHFFFAOYSA-N 0 3 316.445 3.356 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c(F)c1 ZINC000425376639 433210222 /nfs/dbraw/zinc/21/02/22/433210222.db2.gz YFBPPRHGBADUDY-SFHVURJKSA-N 0 3 314.404 3.478 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCCC12CCN(C)CC2 ZINC000374324174 433186439 /nfs/dbraw/zinc/18/64/39/433186439.db2.gz LQMGWRKMHPQVSW-UHFFFAOYSA-N 0 3 324.509 3.450 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000374412668 433189464 /nfs/dbraw/zinc/18/94/64/433189464.db2.gz VHWLVMSDOGQCPN-HZPDHXFCSA-N 0 3 323.358 3.415 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000374412666 433189895 /nfs/dbraw/zinc/18/98/95/433189895.db2.gz VHWLVMSDOGQCPN-CVEARBPZSA-N 0 3 323.358 3.415 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453456741 433194526 /nfs/dbraw/zinc/19/45/26/433194526.db2.gz VUTRTLSAQDGGES-MRXNPFEDSA-N 0 3 319.497 3.116 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C#N)cc1 ZINC000453458248 433198572 /nfs/dbraw/zinc/19/85/72/433198572.db2.gz VSZUWXJLZKXFCR-YOEHRIQHSA-N 0 3 322.412 3.330 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000361509701 433215685 /nfs/dbraw/zinc/21/56/85/433215685.db2.gz DMTYVGPGLSHVAZ-OAHLLOKOSA-N 0 3 317.348 3.437 20 30 DGEDHN CC[C@H](NCCNC(=O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000447538503 433217144 /nfs/dbraw/zinc/21/71/44/433217144.db2.gz BQUJAGHRFNAOFZ-SFHVURJKSA-N 0 3 313.445 3.295 20 30 DGEDHN C#CC[C@@H](NCCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000298760363 433241303 /nfs/dbraw/zinc/24/13/03/433241303.db2.gz CSTDNHTVWAVGBX-LJQANCHMSA-N 0 3 306.409 3.394 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000298794677 433247375 /nfs/dbraw/zinc/24/73/75/433247375.db2.gz DPRCYPXOIBKQHL-RYUDHWBXSA-N 0 3 300.328 3.231 20 30 DGEDHN C=C(C)CN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000354743223 433250324 /nfs/dbraw/zinc/25/03/24/433250324.db2.gz GMEDRYVJSJHZQK-INIZCTEOSA-N 0 3 322.399 3.178 20 30 DGEDHN C[C@H](CN1CCCCC1)Nc1cc(C(F)(F)F)cnc1C#N ZINC000413091855 433259163 /nfs/dbraw/zinc/25/91/63/433259163.db2.gz LDEVDZOGPVRZQD-LLVKDONJSA-N 0 3 312.339 3.258 20 30 DGEDHN N#CCCN(C(=O)CN(CC1CC1)C1CCC1)c1ccccc1 ZINC000361585473 433267694 /nfs/dbraw/zinc/26/76/94/433267694.db2.gz JCKIQGVKQVDFFU-UHFFFAOYSA-N 0 3 311.429 3.198 20 30 DGEDHN CN(C)CC1(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000281384856 433294168 /nfs/dbraw/zinc/29/41/68/433294168.db2.gz NTERZOVXMGGHBZ-UHFFFAOYSA-N 0 3 314.433 3.094 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000281388582 433294719 /nfs/dbraw/zinc/29/47/19/433294719.db2.gz OWXPBSDRMNVARJ-OAHLLOKOSA-N 0 3 307.438 3.016 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)cc1 ZINC000454174040 433305021 /nfs/dbraw/zinc/30/50/21/433305021.db2.gz PCLVWKGLCYCBLF-KRWDZBQOSA-N 0 3 314.433 3.190 20 30 DGEDHN COc1cc(CN[C@@H](C)C[C@@H](O)c2ccccc2)ccc1C#N ZINC000281685332 433349129 /nfs/dbraw/zinc/34/91/29/433349129.db2.gz MPGDPRYWXIRUST-KBXCAEBGSA-N 0 3 310.397 3.169 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(OC)cc1 ZINC000299389075 433361103 /nfs/dbraw/zinc/36/11/03/433361103.db2.gz IWOWIUDOUHPODQ-CABCVRRESA-N 0 3 304.434 3.159 20 30 DGEDHN CC(C)CCOCCNCc1ccc(N(C)CCC#N)cc1 ZINC000299311694 433361434 /nfs/dbraw/zinc/36/14/34/433361434.db2.gz FEBAYHDDBSPJBI-UHFFFAOYSA-N 0 3 303.450 3.189 20 30 DGEDHN N#Cc1cccc(CN(Cc2ccccc2)CC2(CO)CC2)c1 ZINC000341940727 433370695 /nfs/dbraw/zinc/37/06/95/433370695.db2.gz PQLWFVZVMFYFCC-UHFFFAOYSA-N 0 3 306.409 3.333 20 30 DGEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000361753505 433372593 /nfs/dbraw/zinc/37/25/93/433372593.db2.gz JXYWLJHGHFZTCJ-KBPBESRZSA-N 0 3 310.344 3.207 20 30 DGEDHN CC(C)(NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000299650006 433376480 /nfs/dbraw/zinc/37/64/80/433376480.db2.gz OMZDJFBUGWZPNM-UHFFFAOYSA-N 0 3 321.424 3.458 20 30 DGEDHN Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(C)C#N)cc2)nc(C)n1 ZINC000361665817 433328914 /nfs/dbraw/zinc/32/89/14/433328914.db2.gz ZPYMDAQAURYYBL-MRXNPFEDSA-N 0 3 318.380 3.385 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)(C)C#N)cc2)nc(C)n1 ZINC000361665817 433328917 /nfs/dbraw/zinc/32/89/17/433328917.db2.gz ZPYMDAQAURYYBL-MRXNPFEDSA-N 0 3 318.380 3.385 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000375016114 433331354 /nfs/dbraw/zinc/33/13/54/433331354.db2.gz XOIYZHWMWWULQY-CVEARBPZSA-N 0 3 302.393 3.336 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2cnc3n2CCCC3)cc1 ZINC000375315978 433427567 /nfs/dbraw/zinc/42/75/67/433427567.db2.gz CNKXYXYDGBQZBA-OAHLLOKOSA-N 0 3 309.413 3.082 20 30 DGEDHN COc1cc([C@H](C)NCC(C)(C)CC#N)cc(OC)c1OC ZINC000414166037 433431937 /nfs/dbraw/zinc/43/19/37/433431937.db2.gz MWUCNFLYXUVVSM-LBPRGKRZSA-N 0 3 306.406 3.303 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000291946571 433404575 /nfs/dbraw/zinc/40/45/75/433404575.db2.gz QEEXIVHTDQCHRC-MSOLQXFVSA-N 0 3 319.408 3.032 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000291946579 433404890 /nfs/dbraw/zinc/40/48/90/433404890.db2.gz QEEXIVHTDQCHRC-ROUUACIJSA-N 0 3 319.408 3.032 20 30 DGEDHN C=CCOc1ccccc1CN[C@H](C)Cc1ccc(OC)nc1 ZINC000414130472 433414346 /nfs/dbraw/zinc/41/43/46/433414346.db2.gz WKQIDSNXZBYVCL-OAHLLOKOSA-N 0 3 312.413 3.376 20 30 DGEDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000291987957 433420749 /nfs/dbraw/zinc/42/07/49/433420749.db2.gz UKBFBTNDRNJDEW-BBRMVZONSA-N 0 3 323.371 3.153 20 30 DGEDHN COCCOc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1OC ZINC000414163432 433434065 /nfs/dbraw/zinc/43/40/65/433434065.db2.gz IPORZIUCIAZNIR-CQSZACIVSA-N 0 3 320.433 3.311 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000421120957 433441581 /nfs/dbraw/zinc/44/15/81/433441581.db2.gz NASIBKGEISQJOK-INIZCTEOSA-N 0 3 301.434 3.363 20 30 DGEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000281992072 433458620 /nfs/dbraw/zinc/45/86/20/433458620.db2.gz MVGMRMZAKVCFEC-UHFFFAOYSA-N 0 3 317.389 3.127 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463532 433470196 /nfs/dbraw/zinc/47/01/96/433470196.db2.gz CLQFZZVSPNDKNE-LRDDRELGSA-N 0 3 308.385 3.369 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC[C@H]2CC)CC1 ZINC000454536034 433469085 /nfs/dbraw/zinc/46/90/85/433469085.db2.gz GEKRXCBRZBWEEB-HZPDHXFCSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000454537445 433469158 /nfs/dbraw/zinc/46/91/58/433469158.db2.gz HAOAUEOSELLZGO-PMPSAXMXSA-N 0 3 307.482 3.151 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ccccc3c2C)nc(C)n1 ZINC000361995905 433482624 /nfs/dbraw/zinc/48/26/24/433482624.db2.gz IGOCSJLHNBQBJC-OAHLLOKOSA-N 0 3 316.364 3.440 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)C[C@H](CO)C2)ccc1OC ZINC000421367373 433510811 /nfs/dbraw/zinc/51/08/11/433510811.db2.gz WHTGWIHJFHRIHJ-WBVHZDCISA-N 0 3 319.445 3.100 20 30 DGEDHN N#CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000292250710 433521637 /nfs/dbraw/zinc/52/16/37/433521637.db2.gz QWCDNAVLRVPJHA-HXUWFJFHSA-N 0 3 320.440 3.072 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000426542026 433529574 /nfs/dbraw/zinc/52/95/74/433529574.db2.gz CVQFMVKPMXHLJB-QGZVFWFLSA-N 0 3 317.429 3.396 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000426542019 433529684 /nfs/dbraw/zinc/52/96/84/433529684.db2.gz CVQFMVKPMXHLJB-KRWDZBQOSA-N 0 3 317.429 3.396 20 30 DGEDHN C[C@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(C#N)s1 ZINC000421356739 433498784 /nfs/dbraw/zinc/49/87/84/433498784.db2.gz YFSINJLUDINQJO-LLVKDONJSA-N 0 3 317.389 3.266 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)cc1F ZINC000421357487 433501555 /nfs/dbraw/zinc/50/15/55/433501555.db2.gz OLKALYYCAMUVDC-HNNXBMFYSA-N 0 3 313.351 3.205 20 30 DGEDHN COc1ccccc1O[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC000421360505 433503551 /nfs/dbraw/zinc/50/35/51/433503551.db2.gz FAZBJQVYSHWESK-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)CC(C)(C)C#N)CC1 ZINC000375719524 433540868 /nfs/dbraw/zinc/54/08/68/433540868.db2.gz NTANWFAYIKYLQY-HNNXBMFYSA-N 0 3 313.445 3.268 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@@H]1CC[C@H](C)C1 ZINC000362153871 433552084 /nfs/dbraw/zinc/55/20/84/433552084.db2.gz GKQITWGESYNNSA-WMLDXEAASA-N 0 3 302.418 3.204 20 30 DGEDHN C[C@@H](NC(=O)c1ccc(C#N)s1)[C@@H](c1ccccc1)N(C)C ZINC000356229536 433564569 /nfs/dbraw/zinc/56/45/69/433564569.db2.gz LMOJWJBBUNSARI-WBMJQRKESA-N 0 3 313.426 3.041 20 30 DGEDHN Cn1cc(CN[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000342256922 433568795 /nfs/dbraw/zinc/56/87/95/433568795.db2.gz XJZKJXRUSMWVKV-ROUUACIJSA-N 0 3 309.413 3.232 20 30 DGEDHN COCC[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000456290075 433572034 /nfs/dbraw/zinc/57/20/34/433572034.db2.gz NIYXSJBLBJIYTP-ZWNOBZJWSA-N 0 3 314.307 3.059 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccccc2Cl)c(F)c1 ZINC000342275212 433578400 /nfs/dbraw/zinc/57/84/00/433578400.db2.gz AQBJOMLLSQSWCT-AWEZNQCLSA-N 0 3 318.779 3.216 20 30 DGEDHN N#Cc1csc(CNC[C@@H](CO)c2ccccc2Cl)c1 ZINC000342276699 433579473 /nfs/dbraw/zinc/57/94/73/433579473.db2.gz KNLSWAITGFEHPH-LBPRGKRZSA-N 0 3 306.818 3.139 20 30 DGEDHN C#Cc1cccc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000292658460 433588560 /nfs/dbraw/zinc/58/85/60/433588560.db2.gz ODCXXZGMNQFDFR-HNNXBMFYSA-N 0 3 311.429 3.006 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000292730964 433590769 /nfs/dbraw/zinc/59/07/69/433590769.db2.gz GNQZWHOCWAEPDQ-DZGCQCFKSA-N 0 3 315.373 3.130 20 30 DGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301407083 433543548 /nfs/dbraw/zinc/54/35/48/433543548.db2.gz VMCAPYYNGOMOPR-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)cn1 ZINC000301607661 433635199 /nfs/dbraw/zinc/63/51/99/433635199.db2.gz ZIPFCIDGQBWARG-YJBOKZPZSA-N 0 3 306.413 3.276 20 30 DGEDHN C#CCCCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000362320440 433639284 /nfs/dbraw/zinc/63/92/84/433639284.db2.gz RMQNAMNNBRIZIV-UHFFFAOYSA-N 0 3 312.457 3.223 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)C)nc2CC)CC1 ZINC000293037066 433610047 /nfs/dbraw/zinc/61/00/47/433610047.db2.gz JJXQORVOJQIMRU-UHFFFAOYSA-N 0 3 315.461 3.148 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282611565 433619226 /nfs/dbraw/zinc/61/92/26/433619226.db2.gz CAYGHOSQWDYULP-GOSISDBHSA-N 0 3 312.457 3.207 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(C1)CCCCCC2 ZINC000362383447 433672475 /nfs/dbraw/zinc/67/24/75/433672475.db2.gz MWXIBDPQPZNYES-INIZCTEOSA-N 0 3 305.466 3.183 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCCN1CC ZINC000362391975 433687020 /nfs/dbraw/zinc/68/70/20/433687020.db2.gz ZVEGTSFLPCEBPB-AWEZNQCLSA-N 0 3 304.459 3.179 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000421713177 433697037 /nfs/dbraw/zinc/69/70/37/433697037.db2.gz RYRWGPYFEDEORD-ZWKOTPCHSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)C2(OC)CCC2)cc1OC ZINC000414531305 433697705 /nfs/dbraw/zinc/69/77/05/433697705.db2.gz YXEMRVPQXPCFSU-CQSZACIVSA-N 0 3 305.418 3.307 20 30 DGEDHN C[C@H]1CN(CCCCNc2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000301726194 433694220 /nfs/dbraw/zinc/69/42/20/433694220.db2.gz QBKNSOKTESUEST-STQMWFEESA-N 0 3 323.387 3.138 20 30 DGEDHN Cc1nc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(Cl)cc1C#N ZINC000488742604 293298176 /nfs/dbraw/zinc/29/81/76/293298176.db2.gz FSIHJYUGUQBCGZ-MQIPJXDCSA-N 0 3 318.852 3.082 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000362434820 433713864 /nfs/dbraw/zinc/71/38/64/433713864.db2.gz PQRBBAFKRFGRJV-QLFBSQMISA-N 0 3 306.475 3.239 20 30 DGEDHN CC(C)[C@H](NCc1ccc(C#N)cc1Cl)C1(CO)CCC1 ZINC000339732210 433750236 /nfs/dbraw/zinc/75/02/36/433750236.db2.gz ZJBBFEFWNFRLPG-INIZCTEOSA-N 0 3 306.837 3.488 20 30 DGEDHN C=CCC[C@H](CO)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000449701555 433761244 /nfs/dbraw/zinc/76/12/44/433761244.db2.gz SWPFWOVKCYALHX-QGZVFWFLSA-N 0 3 313.445 3.412 20 30 DGEDHN Cc1cccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000351910440 433785336 /nfs/dbraw/zinc/78/53/36/433785336.db2.gz RWUQJWDGJZEYFP-LJQANCHMSA-N 0 3 319.408 3.152 20 30 DGEDHN CC[C@@H](C)N[C@H](CNc1nnc(C)c(C)c1C#N)c1ccco1 ZINC000343268384 433794973 /nfs/dbraw/zinc/79/49/73/433794973.db2.gz WEGIRQMSBNSUDT-IAQYHMDHSA-N 0 3 313.405 3.099 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1CC(F)(F)C1)C(C)C ZINC000449802146 433812050 /nfs/dbraw/zinc/81/20/50/433812050.db2.gz JRYMGZGAIIDWJH-HNNXBMFYSA-N 0 3 314.420 3.237 20 30 DGEDHN C[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC(C)(C)C1 ZINC000344035400 433844466 /nfs/dbraw/zinc/84/44/66/433844466.db2.gz SBLCRBZJIPLDDZ-RHSMWYFYSA-N 0 3 311.429 3.032 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000377062882 433847079 /nfs/dbraw/zinc/84/70/79/433847079.db2.gz TUCVNXQHKGLRKX-OAHLLOKOSA-N 0 3 321.380 3.085 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000302809360 433870765 /nfs/dbraw/zinc/87/07/65/433870765.db2.gz KCVULTHEDYSCBI-IXDOHACOSA-N 0 3 313.445 3.300 20 30 DGEDHN N#Cc1cc(CN2CCCN3c4ccccc4C[C@H]3C2)ccc1F ZINC000377669525 433948588 /nfs/dbraw/zinc/94/85/88/433948588.db2.gz MOFWQFNZEZKZQC-SFHVURJKSA-N 0 3 321.399 3.334 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000357328117 433951952 /nfs/dbraw/zinc/95/19/52/433951952.db2.gz WMDJGQZINDFZCM-QGZVFWFLSA-N 0 3 310.357 3.181 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000303712630 433960597 /nfs/dbraw/zinc/96/05/97/433960597.db2.gz ZKAIBYHYQQSLOD-HZPDHXFCSA-N 0 3 307.482 3.143 20 30 DGEDHN C=CCN(CC=C)CCC(=O)Nc1cccc(Br)c1 ZINC000303798246 433964503 /nfs/dbraw/zinc/96/45/03/433964503.db2.gz RTWDFGIHJMJUER-UHFFFAOYSA-N 0 3 323.234 3.452 20 30 DGEDHN COc1ccc(CN2CCN(CCC(C)(C)C)CC2)cc1C#N ZINC000340178917 433965720 /nfs/dbraw/zinc/96/57/20/433965720.db2.gz DSOPRCXBHIZCEY-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285514146 433976358 /nfs/dbraw/zinc/97/63/58/433976358.db2.gz OIQUZJYYTGMJQC-SJLPKXTDSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCC1(C(=O)NC[C@@]2(N(C)C)CCSC2)CCCCC1 ZINC000450040383 433940584 /nfs/dbraw/zinc/94/05/84/433940584.db2.gz HLCDOQONABDNOK-KRWDZBQOSA-N 0 3 310.507 3.067 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@](CO)(CCC)C2)cc1 ZINC000377836200 434017291 /nfs/dbraw/zinc/01/72/91/434017291.db2.gz ZQUBTWKTOZOGGW-LJQANCHMSA-N 0 3 301.430 3.073 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000294169247 434022351 /nfs/dbraw/zinc/02/23/51/434022351.db2.gz OKKCADWFZYFEAT-QUCCMNQESA-N 0 3 312.457 3.291 20 30 DGEDHN CC1(C)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000352408640 434042310 /nfs/dbraw/zinc/04/23/10/434042310.db2.gz ZRQZZTUHPIPOKT-KRWDZBQOSA-N 0 3 311.429 3.176 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)CCCCC1 ZINC000450266645 434066294 /nfs/dbraw/zinc/06/62/94/434066294.db2.gz SEAOXDIKCLQBPC-HUUCEWRRSA-N 0 3 310.507 3.017 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000294318419 434083166 /nfs/dbraw/zinc/08/31/66/434083166.db2.gz XSEGRCRVIHFUEX-SUMWQHHRSA-N 0 3 300.377 3.413 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(Br)s1 ZINC000309502774 434094337 /nfs/dbraw/zinc/09/43/37/434094337.db2.gz BGSPZHKSVDAXKJ-UWVGGRQHSA-N 0 3 304.253 3.488 20 30 DGEDHN CSc1ccc([C@H](CNc2cccc(C#N)n2)N(C)C)cc1 ZINC000294236231 434055337 /nfs/dbraw/zinc/05/53/37/434055337.db2.gz VVCZNZUUUBRUFT-INIZCTEOSA-N 0 3 312.442 3.390 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC(=O)c2ccccc21 ZINC000416202947 434056996 /nfs/dbraw/zinc/05/69/96/434056996.db2.gz WSDVTSWFIZSBMT-QAPCUYQASA-N 0 3 318.376 3.203 20 30 DGEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000285958892 434118461 /nfs/dbraw/zinc/11/84/61/434118461.db2.gz NKJLHEUUWKAAFO-LBPRGKRZSA-N 0 3 314.433 3.238 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294870708 434150071 /nfs/dbraw/zinc/15/00/71/434150071.db2.gz OKYRDVGAXDSAGF-QGZVFWFLSA-N 0 3 318.486 3.321 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294948801 434156668 /nfs/dbraw/zinc/15/66/68/434156668.db2.gz LUKYTZYSICNVLX-HOCLYGCPSA-N 0 3 322.399 3.367 20 30 DGEDHN Cc1sccc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000353495734 434173414 /nfs/dbraw/zinc/17/34/14/434173414.db2.gz IXCVYYUJBMNYJO-UHFFFAOYSA-N 0 3 313.470 3.492 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286184577 434188359 /nfs/dbraw/zinc/18/83/59/434188359.db2.gz ASAVPHFMHLOFKT-DGCLKSJQSA-N 0 3 324.350 3.035 20 30 DGEDHN CN(C)c1ccccc1CN(C)CCOc1ccccc1C#N ZINC000353522403 434197252 /nfs/dbraw/zinc/19/72/52/434197252.db2.gz UPTXEKVJTDBMOR-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN CSC1(CN2CCN(c3ccc(C#N)cc3F)CC2)CCC1 ZINC000340576513 434218320 /nfs/dbraw/zinc/21/83/20/434218320.db2.gz IQTBSOIPFSOJCL-UHFFFAOYSA-N 0 3 319.449 3.105 20 30 DGEDHN Cc1cccnc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000286378070 434251668 /nfs/dbraw/zinc/25/16/68/434251668.db2.gz ZWTINYDHXHSZQN-UHFFFAOYSA-N 0 3 306.413 3.020 20 30 DGEDHN N#Cc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000379880442 434264941 /nfs/dbraw/zinc/26/49/41/434264941.db2.gz UQKQBZVOFDTEFX-INIZCTEOSA-N 0 3 322.368 3.153 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCN(CC(F)(F)F)CC1 ZINC000364354119 434268129 /nfs/dbraw/zinc/26/81/29/434268129.db2.gz NUYFIVWXGGCUIC-UHFFFAOYSA-N 0 3 305.388 3.276 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC1CCOCC1 ZINC000347969756 434280551 /nfs/dbraw/zinc/28/05/51/434280551.db2.gz BBRUGUGXEOHCRF-UHFFFAOYSA-N 0 3 310.344 3.018 20 30 DGEDHN N#Cc1ccc(OCCN2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000437544145 434287011 /nfs/dbraw/zinc/28/70/11/434287011.db2.gz XGFDPDOIXXDUEM-SJORKVTESA-N 0 3 302.443 3.297 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H]1CCC(=O)NC12CCC2 ZINC000328679680 434297397 /nfs/dbraw/zinc/29/73/97/434297397.db2.gz BRUIQZSKRJLBJZ-RDBSUJKOSA-N 0 3 307.438 3.153 20 30 DGEDHN Cc1ccncc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000365416195 434300171 /nfs/dbraw/zinc/30/01/71/434300171.db2.gz BUCGYDSUPUVMKJ-KRWDZBQOSA-N 0 3 324.403 3.159 20 30 DGEDHN COc1ccc2occ(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)c2c1 ZINC000328700601 434301718 /nfs/dbraw/zinc/30/17/18/434301718.db2.gz IUJVJCLHRMHHFX-BDJLRTHQSA-N 0 3 314.385 3.229 20 30 DGEDHN Cc1cnn([C@H]2CCN(Cc3cccc(OCCCC#N)c3)C2)c1 ZINC000365619160 434304445 /nfs/dbraw/zinc/30/44/45/434304445.db2.gz RCUYGWDXXGOJBJ-SFHVURJKSA-N 0 3 324.428 3.321 20 30 DGEDHN C[C@@](O)(CNC(=O)C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000328746021 434306131 /nfs/dbraw/zinc/30/61/31/434306131.db2.gz LBTNPPKRMWIPBF-GOSISDBHSA-N 0 3 308.466 3.149 20 30 DGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCC(=O)NC1CCCC1 ZINC000328771653 434308995 /nfs/dbraw/zinc/30/89/95/434308995.db2.gz ATCBDYCXLWQVFE-DOMZBBRYSA-N 0 3 307.438 3.105 20 30 DGEDHN C[C@H](C(=O)NCCc1cnc(C2CC2)nc1)N1CCCCCC1 ZINC000328865152 434319623 /nfs/dbraw/zinc/31/96/23/434319623.db2.gz NFASCEYLBMYDHK-CQSZACIVSA-N 0 3 316.449 3.118 20 30 DGEDHN C=CCSCCN[C@@H](C)c1ccc(Br)cn1 ZINC000390412924 434362280 /nfs/dbraw/zinc/36/22/80/434362280.db2.gz FYLDKCNJVYLFJQ-JTQLQIEISA-N 0 3 301.253 3.414 20 30 DGEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000437911197 434364872 /nfs/dbraw/zinc/36/48/72/434364872.db2.gz AQDRUMQPYINGBQ-UHFFFAOYSA-N 0 3 314.433 3.047 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)Nc1cccc(C#N)c1 ZINC000437913682 434365429 /nfs/dbraw/zinc/36/54/29/434365429.db2.gz HPKKFUCIJAQFIW-UHFFFAOYSA-N 0 3 308.385 3.306 20 30 DGEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cc(C#N)cs1 ZINC000328991777 434340236 /nfs/dbraw/zinc/34/02/36/434340236.db2.gz SOIZCJUNMJEPRR-HOCLYGCPSA-N 0 3 316.430 3.017 20 30 DGEDHN O=C(CCNC(=O)c1ccsc1)NC1CCN(C2CC2)CC1 ZINC000328983126 434341052 /nfs/dbraw/zinc/34/10/52/434341052.db2.gz SJDBCSLGARPWHS-UHFFFAOYSA-N 0 3 321.446 3.026 20 30 DGEDHN CN(C[C@H](O)c1ccccc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC000295414647 434351613 /nfs/dbraw/zinc/35/16/13/434351613.db2.gz UNEJQYUWMDDYPQ-JMSVASOKSA-N 0 3 323.234 3.107 20 30 DGEDHN CC[C@H](C)N[C@H](CNc1snc(C)c1C#N)c1ccco1 ZINC000340941913 434442941 /nfs/dbraw/zinc/44/29/41/434442941.db2.gz CRKISFBTBVTAKO-GXFFZTMASA-N 0 3 304.419 3.458 20 30 DGEDHN C=C(CC)CN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000358502580 434395900 /nfs/dbraw/zinc/39/59/00/434395900.db2.gz WIKFRMNNFVJUHY-SFHVURJKSA-N 0 3 302.462 3.176 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287619183 434412502 /nfs/dbraw/zinc/41/25/02/434412502.db2.gz JSYOMGZENRDTLP-HIFRSBDPSA-N 0 3 315.335 3.451 20 30 DGEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329497382 434422859 /nfs/dbraw/zinc/42/28/59/434422859.db2.gz JHRWGJPJJFCPKF-STQMWFEESA-N 0 3 307.438 3.129 20 30 DGEDHN CNC(=O)CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359901288 434448435 /nfs/dbraw/zinc/44/84/35/434448435.db2.gz ZVESYOPPXVHYLQ-AWEZNQCLSA-N 0 3 307.397 3.012 20 30 DGEDHN CC(C)c1nccn1CCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329695780 434461716 /nfs/dbraw/zinc/46/17/16/434461716.db2.gz DEVXWBSJGDTDKW-CQSZACIVSA-N 0 3 304.438 3.004 20 30 DGEDHN C[C@H](NCc1ccc(Br)cc1C#N)C1CCOCC1 ZINC000287846854 434464757 /nfs/dbraw/zinc/46/47/57/434464757.db2.gz QYEQIBOJYPPCOU-NSHDSACASA-N 0 3 323.234 3.225 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1nccn1CC)C(C)C ZINC000295989241 434465081 /nfs/dbraw/zinc/46/50/81/434465081.db2.gz NPSXFGSEKWUPEJ-IAGOWNOFSA-N 0 3 304.482 3.252 20 30 DGEDHN CCCN1CCC[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348727120 434466024 /nfs/dbraw/zinc/46/60/24/434466024.db2.gz JSTNEAVOMJFHBT-IBGZPJMESA-N 0 3 323.440 3.048 20 30 DGEDHN CCOC[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000458077984 434470039 /nfs/dbraw/zinc/47/00/39/434470039.db2.gz JPHLSBLJADJGTJ-ZWKOTPCHSA-N 0 3 314.429 3.177 20 30 DGEDHN N#CC1(CCCN2CCOC3(CCCCC3)C2)CCOCC1 ZINC000366849540 434523250 /nfs/dbraw/zinc/52/32/50/434523250.db2.gz HZEBXYANVWIEIK-UHFFFAOYSA-N 0 3 306.450 3.122 20 30 DGEDHN C#Cc1ccc(CN[C@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000367300439 434544924 /nfs/dbraw/zinc/54/49/24/434544924.db2.gz MXUZJGDRQYIPIM-IBGZPJMESA-N 0 3 304.393 3.255 20 30 DGEDHN CN(C)CCN(Cc1cc(C#N)cs1)Cc1ccccc1F ZINC000348897586 434548081 /nfs/dbraw/zinc/54/80/81/434548081.db2.gz VXRLZYLDQTZDPU-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN Cc1nsc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c1C#N ZINC000367465608 434548875 /nfs/dbraw/zinc/54/88/75/434548875.db2.gz LRKVCLAFHNMBPZ-OAHLLOKOSA-N 0 3 312.442 3.034 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000458755664 434549361 /nfs/dbraw/zinc/54/93/61/434549361.db2.gz DFKRWTGOIXDOOQ-HOCLYGCPSA-N 0 3 303.450 3.189 20 30 DGEDHN N#CCCCN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000367592694 434552620 /nfs/dbraw/zinc/55/26/20/434552620.db2.gz DMNZTWNOFSVILW-HNNXBMFYSA-N 0 3 312.335 3.300 20 30 DGEDHN CN(C)CCN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000348921567 434557369 /nfs/dbraw/zinc/55/73/69/434557369.db2.gz OJEOZWFFNIBJGR-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451611499 434574354 /nfs/dbraw/zinc/57/43/54/434574354.db2.gz ILHMZQWFGPGUNE-OLZOCXBDSA-N 0 3 316.279 3.047 20 30 DGEDHN COc1cc(CN[C@H](C)[C@@H]2COc3ccccc32)ccc1C#N ZINC000368516860 434577071 /nfs/dbraw/zinc/57/70/71/434577071.db2.gz DWZANTNRHNHKQD-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN CC[C@@H]1CN(CC)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451730164 434577268 /nfs/dbraw/zinc/57/72/68/434577268.db2.gz NIFYZXLXIFUTFF-QGZVFWFLSA-N 0 3 324.390 3.473 20 30 DGEDHN C=C(C)CCNCc1ccc(F)cc1I ZINC000418072889 434580261 /nfs/dbraw/zinc/58/02/61/434580261.db2.gz LGAZMCUEOPICEF-UHFFFAOYSA-N 0 3 319.161 3.486 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C1(C#N)CCCCC1 ZINC000452340545 434590669 /nfs/dbraw/zinc/59/06/69/434590669.db2.gz AFJJNXCBOWBJRY-INIZCTEOSA-N 0 3 305.466 3.087 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424062604 434613160 /nfs/dbraw/zinc/61/31/60/434613160.db2.gz HCVSZFUPBZANKC-RNCFNFMXSA-N 0 3 314.216 3.192 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000424068097 434615025 /nfs/dbraw/zinc/61/50/25/434615025.db2.gz QZINRNLZCVFYSU-RTBURBONSA-N 0 3 321.424 3.108 20 30 DGEDHN Cc1nc(-c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)cs1 ZINC000424068424 434615055 /nfs/dbraw/zinc/61/50/55/434615055.db2.gz RZUSGDWUZAKODZ-AWEZNQCLSA-N 0 3 314.414 3.078 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc(Cl)ccc1Cl ZINC000424104880 434623466 /nfs/dbraw/zinc/62/34/66/434623466.db2.gz VCAIYAPNAGAESZ-TVQRCGJNSA-N 0 3 314.216 3.192 20 30 DGEDHN CCCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424113758 434624504 /nfs/dbraw/zinc/62/45/04/434624504.db2.gz OIPCUZHPAFSRJC-SJORKVTESA-N 0 3 317.433 3.064 20 30 DGEDHN Cc1csc(-c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)n1 ZINC000424115825 434625755 /nfs/dbraw/zinc/62/57/55/434625755.db2.gz WBXOKOBESHYXHV-AWEZNQCLSA-N 0 3 314.414 3.078 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000424120740 434627976 /nfs/dbraw/zinc/62/79/76/434627976.db2.gz GXOWEKUNWMSGET-SJORKVTESA-N 0 3 317.408 3.194 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000424129120 434629954 /nfs/dbraw/zinc/62/99/54/434629954.db2.gz GBXYKGOBDPANNH-HNNXBMFYSA-N 0 3 314.433 3.027 20 30 DGEDHN C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424125171 434631003 /nfs/dbraw/zinc/63/10/03/434631003.db2.gz NKEJRKKDKIOLLX-CAPXZKIUSA-N 0 3 319.836 3.174 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000452528502 434637867 /nfs/dbraw/zinc/63/78/67/434637867.db2.gz CUKHSOGSYSCHOT-MRVPVSSYSA-N 0 3 317.336 3.028 20 30 DGEDHN C=CCN1CC[C@@H](N(CCc2ccccc2)C2CCCC2)C1=O ZINC000410336215 434640527 /nfs/dbraw/zinc/64/05/27/434640527.db2.gz DQYWAFMPJZNYAI-LJQANCHMSA-N 0 3 312.457 3.261 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000424163275 434641419 /nfs/dbraw/zinc/64/14/19/434641419.db2.gz ZNLXBYMOXXXMAC-CYBMUJFWSA-N 0 3 313.323 3.141 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000424171894 434644205 /nfs/dbraw/zinc/64/42/05/434644205.db2.gz MLFRYWPSPGJKPO-ROUUACIJSA-N 0 3 313.445 3.021 20 30 DGEDHN COCCN(CCCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000360437044 434605854 /nfs/dbraw/zinc/60/58/54/434605854.db2.gz LARBBNMYKJVIGH-UHFFFAOYSA-N 0 3 309.413 3.034 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000370247041 434609933 /nfs/dbraw/zinc/60/99/33/434609933.db2.gz KZTUXLAHNBYVBT-MRXNPFEDSA-N 0 3 307.409 3.283 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000424066928 434611426 /nfs/dbraw/zinc/61/14/26/434611426.db2.gz UUBDVMQMEJUASP-QWHCGFSZSA-N 0 3 323.849 3.014 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)nc2scc(C3CC3)n12 ZINC000459569620 434611711 /nfs/dbraw/zinc/61/17/11/434611711.db2.gz DAFFJHNKNFWLBK-DOMZBBRYSA-N 0 3 303.431 3.015 20 30 DGEDHN CN(C1CC(C)(C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000459749846 434694519 /nfs/dbraw/zinc/69/45/19/434694519.db2.gz ZEJKTJNNAIMXRJ-QGZVFWFLSA-N 0 3 311.429 3.174 20 30 DGEDHN CN(C1CC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000459749838 434694680 /nfs/dbraw/zinc/69/46/80/434694680.db2.gz ZEJKTJNNAIMXRJ-KRWDZBQOSA-N 0 3 311.429 3.174 20 30 DGEDHN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(OCC#N)cc1 ZINC000360791656 434694987 /nfs/dbraw/zinc/69/49/87/434694987.db2.gz HMJGJAYMYCTHPI-FOIQADDNSA-N 0 3 321.424 3.426 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418429089 434649409 /nfs/dbraw/zinc/64/94/09/434649409.db2.gz NGDFNBMYUHUVLH-IBGZPJMESA-N 0 3 323.440 3.474 20 30 DGEDHN C#CCCN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000371195430 434653284 /nfs/dbraw/zinc/65/32/84/434653284.db2.gz MDCITUHXJBYFJR-INIZCTEOSA-N 0 3 306.450 3.121 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000410536628 434655198 /nfs/dbraw/zinc/65/51/98/434655198.db2.gz BWPLCUNZWKSDIW-KRWDZBQOSA-N 0 3 300.446 3.322 20 30 DGEDHN CN(C)CCN(Cc1cccs1)Cc1cc(C#N)cs1 ZINC000349321368 434674977 /nfs/dbraw/zinc/67/49/77/434674977.db2.gz XEPASAMWNRSQQM-UHFFFAOYSA-N 0 3 305.472 3.245 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418559615 434677725 /nfs/dbraw/zinc/67/77/25/434677725.db2.gz VTWOYHQWFVKLCJ-UHFFFAOYSA-N 0 3 321.424 3.188 20 30 DGEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2ccc(F)cc2)nn1 ZINC000424291593 434679608 /nfs/dbraw/zinc/67/96/08/434679608.db2.gz DUTYRXFIDQGAFH-DLBZAZTESA-N 0 3 300.381 3.029 20 30 DGEDHN C=CCn1cc(CN[C@H](C)[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000424297480 434684324 /nfs/dbraw/zinc/68/43/24/434684324.db2.gz QSAKKZPLAMDAHD-QWHCGFSZSA-N 0 3 304.825 3.399 20 30 DGEDHN Cc1cc(CN)cc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000424418493 434722115 /nfs/dbraw/zinc/72/21/15/434722115.db2.gz BJZYNZIFCHFWRC-UHFFFAOYSA-N 0 3 320.396 3.136 20 30 DGEDHN COc1cc(CNCCOc2ccccc2Cl)ccc1C#N ZINC000440618450 434723863 /nfs/dbraw/zinc/72/38/63/434723863.db2.gz YPIVJCCEXDCFNJ-UHFFFAOYSA-N 0 3 316.788 3.389 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000440620745 434725073 /nfs/dbraw/zinc/72/50/73/434725073.db2.gz GYNHZJKIBFQSSO-PBHICJAKSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCc1cc(CN[C@@H]2C[C@H](OC)C23CCC3)cc(OC)c1O ZINC000459796046 434725769 /nfs/dbraw/zinc/72/57/69/434725769.db2.gz VZBRAUYBAOYBGH-SJORKVTESA-N 0 3 317.429 3.177 20 30 DGEDHN COc1cc(CNCCc2c(F)cccc2F)ccc1C#N ZINC000440805619 434744778 /nfs/dbraw/zinc/74/47/78/434744778.db2.gz YSCBOBMHTGQSEK-UHFFFAOYSA-N 0 3 302.324 3.177 20 30 DGEDHN C=C(C)CN(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441007099 434759744 /nfs/dbraw/zinc/75/97/44/434759744.db2.gz CWNFWDUWALYGPZ-UHFFFAOYSA-N 0 3 307.482 3.250 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)CC(C)(C)CN1CCOCC1 ZINC000411401944 434773326 /nfs/dbraw/zinc/77/33/26/434773326.db2.gz YLHFDWFOMSEAPR-UHFFFAOYSA-N 0 3 321.509 3.141 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCCC1(C)C ZINC000445209852 434789922 /nfs/dbraw/zinc/78/99/22/434789922.db2.gz HFZREIAQEFVAFG-XIRDDKMYSA-N 0 3 319.493 3.245 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000424721275 434788438 /nfs/dbraw/zinc/78/84/38/434788438.db2.gz LIVCAZKIUIXVIQ-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@H]1CN2CCCC[C@H]2CN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443522817 434780825 /nfs/dbraw/zinc/78/08/25/434780825.db2.gz NHXIJNGCASUDPE-RYUDHWBXSA-N 0 3 324.350 3.035 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000424789230 434802708 /nfs/dbraw/zinc/80/27/08/434802708.db2.gz WIDQBCVOKNMTQC-DOTOQJQBSA-N 0 3 300.446 3.225 20 30 DGEDHN COCCOCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000361124461 434803427 /nfs/dbraw/zinc/80/34/27/434803427.db2.gz SHEOHXLYWBOVJZ-UHFFFAOYSA-N 0 3 316.426 3.073 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000424761351 434797723 /nfs/dbraw/zinc/79/77/23/434797723.db2.gz WRAXDMMSIQPWHS-UHFFFAOYSA-N 0 3 301.434 3.017 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000412048730 434862400 /nfs/dbraw/zinc/86/24/00/434862400.db2.gz XUNXRLKRVKNMRW-QUCCMNQESA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000411647786 434812596 /nfs/dbraw/zinc/81/25/96/434812596.db2.gz YNNPEVFEMHBQIP-ZDUSSCGKSA-N 0 3 320.462 3.299 20 30 DGEDHN CS[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@@H]1N1CCCC1 ZINC000445610394 434816888 /nfs/dbraw/zinc/81/68/88/434816888.db2.gz MOCRBIVOOQLKSK-LSDHHAIUSA-N 0 3 321.877 3.228 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)N(C)C[C@@H]2C)ccc1OC ZINC000361166859 434819257 /nfs/dbraw/zinc/81/92/57/434819257.db2.gz OMJXVZOPBZXMOH-CVEARBPZSA-N 0 3 318.461 3.175 20 30 DGEDHN CN(C)CCSCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000446571567 434863535 /nfs/dbraw/zinc/86/35/35/434863535.db2.gz JPUQKBRZMZFTOE-UHFFFAOYSA-N 0 3 315.442 3.032 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCCC(C)(C)C1 ZINC000446075791 434848127 /nfs/dbraw/zinc/84/81/27/434848127.db2.gz BKWMAQFNUZFZFF-OAHLLOKOSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1(C)C ZINC000412037749 434857279 /nfs/dbraw/zinc/85/72/79/434857279.db2.gz NPRMGFXBVDGTQJ-AWEZNQCLSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)c1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000573318412 434888440 /nfs/dbraw/zinc/88/84/40/434888440.db2.gz ZYUVYKHKMAEHRV-LJQANCHMSA-N 0 3 324.424 3.211 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN2Cc2ccc(C#N)cn2)c1 ZINC000521893992 434898840 /nfs/dbraw/zinc/89/88/40/434898840.db2.gz FHAFSZVEKGWJES-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(CCC#N)CC1 ZINC000573482390 434903111 /nfs/dbraw/zinc/90/31/11/434903111.db2.gz BFICCEBDGYQFBG-OAHLLOKOSA-N 0 3 305.466 3.182 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000555261003 434966790 /nfs/dbraw/zinc/96/67/90/434966790.db2.gz NSONVYGYEHDQHG-HZPDHXFCSA-N 0 3 319.497 3.144 20 30 DGEDHN COc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000555294844 434967945 /nfs/dbraw/zinc/96/79/45/434967945.db2.gz HBFUOJYNWPVHKT-DGCLKSJQSA-N 0 3 310.344 3.421 20 30 DGEDHN COc1ccc(C(=O)CCN2CCC(CCC#N)CC2)cc1 ZINC000573798469 434925942 /nfs/dbraw/zinc/92/59/42/434925942.db2.gz IGGKEESNYZREHY-UHFFFAOYSA-N 0 3 300.402 3.284 20 30 DGEDHN C[C@@H](N[C@@H]1CCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554522870 434932820 /nfs/dbraw/zinc/93/28/20/434932820.db2.gz CZOAHOVKNJMUQG-QMTHXVAHSA-N 0 3 305.809 3.317 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](C)C2CCCCC2)CC1 ZINC000527768087 435014818 /nfs/dbraw/zinc/01/48/18/435014818.db2.gz DYUCCMJAVJZPOW-MRXNPFEDSA-N 0 3 321.509 3.495 20 30 DGEDHN CCC(C#N)(CC)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000528139544 435020747 /nfs/dbraw/zinc/02/07/47/435020747.db2.gz OFFORYJKYALSIN-UHFFFAOYSA-N 0 3 319.493 3.431 20 30 DGEDHN C=C(C)COc1cc(CN2CCC(CCO)CC2)ccc1OC ZINC000556788152 435025263 /nfs/dbraw/zinc/02/52/63/435025263.db2.gz YRFITHMULQJHJJ-UHFFFAOYSA-N 0 3 319.445 3.245 20 30 DGEDHN CC(C)[C@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000528637615 435026672 /nfs/dbraw/zinc/02/66/72/435026672.db2.gz GUSGBQLDMDXDFE-VQTJNVASSA-N 0 3 324.472 3.272 20 30 DGEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000464730671 434995013 /nfs/dbraw/zinc/99/50/13/434995013.db2.gz DOLOMFPYLJLQOW-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000464739170 434995755 /nfs/dbraw/zinc/99/57/55/434995755.db2.gz WDKFPVKEOGYMKI-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000464730672 434996091 /nfs/dbraw/zinc/99/60/91/434996091.db2.gz DOLOMFPYLJLQOW-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000525635017 435007620 /nfs/dbraw/zinc/00/76/20/435007620.db2.gz DWKSOOOMQXZQHZ-IEBWSBKVSA-N 0 3 312.457 3.140 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000527298938 435011566 /nfs/dbraw/zinc/01/15/66/435011566.db2.gz FZAFJXWEAJTPEF-JKSUJKDBSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000527289638 435012039 /nfs/dbraw/zinc/01/20/39/435012039.db2.gz WIJAGVIKVVBRPR-HUUCEWRRSA-N 0 3 321.424 3.441 20 30 DGEDHN Cn1c2ccc(CN3CCC(CCC#N)CC3)cc2sc1=O ZINC000576824429 435058838 /nfs/dbraw/zinc/05/88/38/435058838.db2.gz XBWNWNIBZSDHLV-UHFFFAOYSA-N 0 3 315.442 3.116 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000466381494 435072790 /nfs/dbraw/zinc/07/27/90/435072790.db2.gz BRZMURITLROIJX-SFHVURJKSA-N 0 3 317.477 3.423 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000466385802 435074463 /nfs/dbraw/zinc/07/44/63/435074463.db2.gz KAESFCNXPGYASZ-MRXNPFEDSA-N 0 3 321.440 3.254 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cn2)C[C@H]1OCc1ccccc1 ZINC000558246158 435081754 /nfs/dbraw/zinc/08/17/54/435081754.db2.gz KECGNIJTYUPEPQ-RTBURBONSA-N 0 3 321.424 3.427 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000492695286 435036333 /nfs/dbraw/zinc/03/63/33/435036333.db2.gz HLSVDWIZJFNTDU-HUUCEWRRSA-N 0 3 309.454 3.258 20 30 DGEDHN CN(CCC(=O)N(C)CCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000557181314 435047227 /nfs/dbraw/zinc/04/72/27/435047227.db2.gz QGEGBZSFTALFCW-UHFFFAOYSA-N 0 3 315.461 3.178 20 30 DGEDHN C[C@@H](N[C@@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000558461654 435092517 /nfs/dbraw/zinc/09/25/17/435092517.db2.gz ISVUOOUECAFYFT-CZUORRHYSA-N 0 3 317.408 3.239 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000466981770 435102810 /nfs/dbraw/zinc/10/28/10/435102810.db2.gz AOLQNIPPVPNBSY-GOSISDBHSA-N 0 3 315.461 3.041 20 30 DGEDHN COC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCO1 ZINC000558794617 435112003 /nfs/dbraw/zinc/11/20/03/435112003.db2.gz PHISDVSKFORYMR-GBESFXJTSA-N 0 3 314.429 3.109 20 30 DGEDHN C[C@]1(CO)CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000472624708 435140654 /nfs/dbraw/zinc/14/06/54/435140654.db2.gz RQLXBOAFILJCCT-HZPDHXFCSA-N 0 3 311.347 3.198 20 30 DGEDHN COc1ccccc1OCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000580015827 435198753 /nfs/dbraw/zinc/19/87/53/435198753.db2.gz DOQPBPALZXOELN-QGZVFWFLSA-N 0 3 308.381 3.223 20 30 DGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2OC)C12CCCC2 ZINC000580010501 435199581 /nfs/dbraw/zinc/19/95/81/435199581.db2.gz GAJVUASYKCMUOQ-ROUUACIJSA-N 0 3 314.429 3.394 20 30 DGEDHN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000580068932 435202545 /nfs/dbraw/zinc/20/25/45/435202545.db2.gz AXWZUUHHZQOOOS-WBVHZDCISA-N 0 3 305.466 3.182 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCN(CCC(C)(C)C)CC1 ZINC000532603581 435179653 /nfs/dbraw/zinc/17/96/53/435179653.db2.gz CAQFLFWTYYFZPN-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000533280604 435224164 /nfs/dbraw/zinc/22/41/64/435224164.db2.gz IXAPEDCHRDAGTB-LZLYRXPVSA-N 0 3 307.482 3.187 20 30 DGEDHN CC[C@H](CC#N)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496613761 435231578 /nfs/dbraw/zinc/23/15/78/435231578.db2.gz JMOKLVSTPACVAA-LSDHHAIUSA-N 0 3 309.454 3.305 20 30 DGEDHN CC(C)(C)OC(=O)NCC1(CN2CCC(CCC#N)CC2)CC1 ZINC000496696564 435242242 /nfs/dbraw/zinc/24/22/42/435242242.db2.gz HTOJEWWYTKUUFQ-UHFFFAOYSA-N 0 3 321.465 3.307 20 30 DGEDHN Cc1ccnc(-c2nnc([C@H](C)[NH2+]C3CCC(C)(C#N)CC3)[n-]2)c1 ZINC000583605297 435242270 /nfs/dbraw/zinc/24/22/70/435242270.db2.gz WAFONHBUEPLBAX-VNSJNIRKSA-N 0 3 324.432 3.298 20 30 DGEDHN Cc1cc(CNCc2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000496831177 435259890 /nfs/dbraw/zinc/25/98/90/435259890.db2.gz WAMALJMDRUSDAF-UHFFFAOYSA-N 0 3 321.380 3.113 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000563532158 435267288 /nfs/dbraw/zinc/26/72/88/435267288.db2.gz JDPJNUVFYCFHDA-SFHVURJKSA-N 0 3 322.412 3.258 20 30 DGEDHN C=CCSCCN[C@@H](C)c1cncc(Br)c1 ZINC000563442304 435267393 /nfs/dbraw/zinc/26/73/93/435267393.db2.gz HZOBWZONXAMDPM-JTQLQIEISA-N 0 3 301.253 3.414 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000496911237 435269086 /nfs/dbraw/zinc/26/90/86/435269086.db2.gz MJMSJMRIJAFEOG-CAOSSQGBSA-N 0 3 321.465 3.304 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCC1(C#N)CCC1 ZINC000497104372 435297639 /nfs/dbraw/zinc/29/76/39/435297639.db2.gz BQYLOLDUTGZSOQ-HUUCEWRRSA-N 0 3 321.465 3.353 20 30 DGEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CCCC2(F)F)CC1 ZINC000562708464 435262477 /nfs/dbraw/zinc/26/24/77/435262477.db2.gz PKXIEBZXCQLPID-CQSZACIVSA-N 0 3 305.372 3.374 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000479502282 435336023 /nfs/dbraw/zinc/33/60/23/435336023.db2.gz LXKSJJQMMVOUHR-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000648565541 435344790 /nfs/dbraw/zinc/34/47/90/435344790.db2.gz DQJGGYODKYZDSQ-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000537088622 435424613 /nfs/dbraw/zinc/42/46/13/435424613.db2.gz QAVKBYMKRVAALU-FRQCXROJSA-N 0 3 315.461 3.397 20 30 DGEDHN N#CC1CCC(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000568027701 435380923 /nfs/dbraw/zinc/38/09/23/435380923.db2.gz KRRVLGFGHDSVBH-HTWSVDAQSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)C[C@@H](N)Cc1ccccc1 ZINC000644045667 435396820 /nfs/dbraw/zinc/39/68/20/435396820.db2.gz UTRXLOKEAKGCAZ-INIZCTEOSA-N 0 3 314.454 3.223 20 30 DGEDHN N#Cc1ccnc(N2CCN(CCC3CCCCCC3)CC2)c1 ZINC000514692551 435429385 /nfs/dbraw/zinc/42/93/85/435429385.db2.gz SIEVSSQUHUGKSP-UHFFFAOYSA-N 0 3 312.461 3.436 20 30 DGEDHN CC(C)(C)[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000483231751 435503516 /nfs/dbraw/zinc/50/35/16/435503516.db2.gz JFVDPXQCWAJLLN-HNNXBMFYSA-N 0 3 305.466 3.087 20 30 DGEDHN COc1cccc(C[C@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 ZINC000568939010 435485865 /nfs/dbraw/zinc/48/58/65/435485865.db2.gz QTOGLUIJUGMCKW-QGZVFWFLSA-N 0 3 309.413 3.112 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2nccn21 ZINC000515460756 435486934 /nfs/dbraw/zinc/48/69/34/435486934.db2.gz FOOXVBFTLBOZGS-GOSISDBHSA-N 0 3 302.381 3.373 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000484539007 435548066 /nfs/dbraw/zinc/54/80/66/435548066.db2.gz ATFDXIYFAVDESS-AWEZNQCLSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(CC)CN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000539104673 435540328 /nfs/dbraw/zinc/54/03/28/435540328.db2.gz PEIRJTXDUZKXEV-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000517773224 435612406 /nfs/dbraw/zinc/61/24/06/435612406.db2.gz WECCPTSGNXKOMB-WMZOPIPTSA-N 0 3 313.445 3.033 20 30 DGEDHN N#Cc1ccc(CN[C@H](CO)C2CCCCC2)c(OC(F)F)c1 ZINC000541052677 435635410 /nfs/dbraw/zinc/63/54/10/435635410.db2.gz CLYZPBUWLDPFHI-OAHLLOKOSA-N 0 3 324.371 3.190 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000541282821 435641936 /nfs/dbraw/zinc/64/19/36/435641936.db2.gz OAWBBKBLEJZRPY-CYBMUJFWSA-N 0 3 315.335 3.119 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H]([C@H](C)O)C2)ccc1OC ZINC000541891220 435646109 /nfs/dbraw/zinc/64/61/09/435646109.db2.gz YOLYWOYUQIKRLX-RDJZCZTQSA-N 0 3 319.445 3.243 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000490574965 435662465 /nfs/dbraw/zinc/66/24/65/435662465.db2.gz IIFAEKVZZRUWTO-PMACEKPBSA-N 0 3 324.468 3.174 20 30 DGEDHN C[C@H]1CN(CCC(C)(C)C#N)[C@@H](C)CN1CCC(C)(C)C#N ZINC000345734677 300253800 /nfs/dbraw/zinc/25/38/00/300253800.db2.gz DOFPWSCBOUACQZ-HOTGVXAUSA-N 0 3 304.482 3.261 20 30 DGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1(C#N)CC(C)C1)N(C)C ZINC000571712482 435728416 /nfs/dbraw/zinc/72/84/16/435728416.db2.gz NHTFDJPGLKYVQQ-LJQUFJLCSA-N 0 3 313.445 3.042 20 30 DGEDHN Cn1cc([C@@H]2CN(Cc3cccc(C#N)c3F)CC2(C)C)cn1 ZINC000571461373 435708668 /nfs/dbraw/zinc/70/86/68/435708668.db2.gz GHGWISRYJVRXTF-INIZCTEOSA-N 0 3 312.392 3.056 20 30 DGEDHN C=CCCC[C@H](C)n1cc(COc2ccccc2CN)nn1 ZINC000641234875 435720458 /nfs/dbraw/zinc/72/04/58/435720458.db2.gz WBIBRSAVKARWMT-AWEZNQCLSA-N 0 3 300.406 3.233 20 30 DGEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000651708161 435798602 /nfs/dbraw/zinc/79/86/02/435798602.db2.gz HOFALQUCHXXTIS-IJEWVQPXSA-N 0 3 302.393 3.265 20 30 DGEDHN C#C[C@@H](NC1CCN(c2nccs2)CC1)c1ccc(F)cc1 ZINC000491726371 435798967 /nfs/dbraw/zinc/79/89/67/435798967.db2.gz GDPICIUALLALLR-MRXNPFEDSA-N 0 3 315.417 3.215 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000651708160 435800509 /nfs/dbraw/zinc/80/05/09/435800509.db2.gz HOFALQUCHXXTIS-IIAWOOMASA-N 0 3 302.393 3.265 20 30 DGEDHN C=CCCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000655807567 435815184 /nfs/dbraw/zinc/81/51/84/435815184.db2.gz PSXZIVZJPKEBQX-HNNXBMFYSA-N 0 3 311.422 3.380 20 30 DGEDHN CCN(Cc1ccc(C#N)cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000572493861 435832572 /nfs/dbraw/zinc/83/25/72/435832572.db2.gz CNBAVJHMAOJKAL-HNNXBMFYSA-N 0 3 309.413 3.415 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3cncc(Cl)c3)CC2)C1 ZINC000572732953 435859220 /nfs/dbraw/zinc/85/92/20/435859220.db2.gz VJIDCLFJPPHFKD-TZMCWYRMSA-N 0 3 305.809 3.270 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000665389063 435965140 /nfs/dbraw/zinc/96/51/40/435965140.db2.gz AOWQJQYYRFFRQL-ZJPYXAASSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000661009602 435942939 /nfs/dbraw/zinc/94/29/39/435942939.db2.gz KPVIVONNYKFLQB-USXIJHARSA-N 0 3 305.466 3.071 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CCCC1 ZINC000661010272 435943762 /nfs/dbraw/zinc/94/37/62/435943762.db2.gz RFUGUTNOQWBUFQ-INIZCTEOSA-N 0 3 319.493 3.463 20 30 DGEDHN C=CCCC1(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CCCC1 ZINC000665588898 436011997 /nfs/dbraw/zinc/01/19/97/436011997.db2.gz GSTAWMKLWVQDGU-IAGOWNOFSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000661379300 436048648 /nfs/dbraw/zinc/04/86/48/436048648.db2.gz BEHPSKNSSJSPEI-ZDUSSCGKSA-N 0 3 317.820 3.136 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccccc2F)CC1 ZINC000650852577 436049556 /nfs/dbraw/zinc/04/95/56/436049556.db2.gz KBTOPZLIOXOAFD-KRWDZBQOSA-N 0 3 319.424 3.226 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000650852193 436050133 /nfs/dbraw/zinc/05/01/33/436050133.db2.gz VIGMDKSSBFFOGV-GOEBONIOSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661395030 436053667 /nfs/dbraw/zinc/05/36/67/436053667.db2.gz CEMYYSNMTFQCMM-AWEZNQCLSA-N 0 3 321.490 3.319 20 30 DGEDHN C=CCN(CC(=O)N[C@@H](C)c1ccccc1OC)C(C)(C)C ZINC000661754828 436178892 /nfs/dbraw/zinc/17/88/92/436178892.db2.gz CJFBNDCCHYXEPT-AWEZNQCLSA-N 0 3 304.434 3.159 20 30 DGEDHN C=CCCn1cc(CNC[C@]2(C)CCCc3ccccc32)nn1 ZINC000657426372 436196148 /nfs/dbraw/zinc/19/61/48/436196148.db2.gz BWHQULXQOPTDJY-IBGZPJMESA-N 0 3 310.445 3.238 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(F)c1OC(F)F ZINC000657454411 436209754 /nfs/dbraw/zinc/20/97/54/436209754.db2.gz IRMOUZCVKJHGGM-TZMCWYRMSA-N 0 3 315.335 3.498 20 30 DGEDHN C=CCC1(NCC(=O)Nc2nc3c(s2)CCC3)CCCC1 ZINC000661852569 436209812 /nfs/dbraw/zinc/20/98/12/436209812.db2.gz YZCHWNRQDIKNQZ-UHFFFAOYSA-N 0 3 305.447 3.049 20 30 DGEDHN C=CCC1(NCC(=O)Nc2cc(OC)cc(OC)c2)CCCC1 ZINC000661862885 436214647 /nfs/dbraw/zinc/21/46/47/436214647.db2.gz HWKYVUFYJXVHSI-UHFFFAOYSA-N 0 3 318.417 3.121 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000648144034 436218930 /nfs/dbraw/zinc/21/89/30/436218930.db2.gz CETQQAXHIOUEII-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000662031812 436251407 /nfs/dbraw/zinc/25/14/07/436251407.db2.gz BNLGUNCNOQJGNG-CABCVRRESA-N 0 3 309.331 3.025 20 30 DGEDHN C=CCC1(NCc2nc3ccc(Cl)cc3n2C)CCOCC1 ZINC000657633639 436264057 /nfs/dbraw/zinc/26/40/57/436264057.db2.gz TXHUIOYDUBDENJ-UHFFFAOYSA-N 0 3 319.836 3.442 20 30 DGEDHN C=CCC1(NCc2cccc3c2OC(F)(F)O3)CCOCC1 ZINC000657634482 436264656 /nfs/dbraw/zinc/26/46/56/436264656.db2.gz KJRXHRGXRZEKEX-UHFFFAOYSA-N 0 3 311.328 3.223 20 30 DGEDHN C=CCC1(NCc2cc(OC)c(OC)cc2F)CCOCC1 ZINC000657634882 436265473 /nfs/dbraw/zinc/26/54/73/436265473.db2.gz RCIHASUDNCFUAQ-UHFFFAOYSA-N 0 3 309.381 3.058 20 30 DGEDHN C=CCOCCCNCc1c(C)nc2scc(C3CC3)n12 ZINC000657657749 436270965 /nfs/dbraw/zinc/27/09/65/436270965.db2.gz AVHLJPLYWYQZQP-UHFFFAOYSA-N 0 3 305.447 3.264 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000654317940 436393682 /nfs/dbraw/zinc/39/36/82/436393682.db2.gz KUFDKSZZIRKREJ-FHWLQOOXSA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCn1cc(CN[C@H](C)Cc2ccc3c(c2)CCCC3)nn1 ZINC000658038500 436358566 /nfs/dbraw/zinc/35/85/66/436358566.db2.gz QANVGPNVAAVLDY-OAHLLOKOSA-N 0 3 310.445 3.064 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000658333154 436432436 /nfs/dbraw/zinc/43/24/36/436432436.db2.gz NDTJIYQGRBAFBD-JFGNBEQYSA-N 0 3 304.217 3.286 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654730113 436459927 /nfs/dbraw/zinc/45/99/27/436459927.db2.gz ZOTRBZDSEMVXHJ-IRXDYDNUSA-N 0 3 307.482 3.391 20 30 DGEDHN C=CCCC(C)(C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042067 436461002 /nfs/dbraw/zinc/46/10/02/436461002.db2.gz SBCYCPSZXLACGK-INIZCTEOSA-N 0 3 317.433 3.214 20 30 DGEDHN C=CCC[C@@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccco1 ZINC000658293776 436420610 /nfs/dbraw/zinc/42/06/10/436420610.db2.gz CCVODFURHKIZJQ-IAGOWNOFSA-N 0 3 304.434 3.130 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000659519015 436513562 /nfs/dbraw/zinc/51/35/62/436513562.db2.gz BWCUSDAUCQJTNY-IKGGRYGDSA-N 0 3 301.434 3.121 20 30 DGEDHN COc1cccc(CCNCc2ccc(C#N)cc2F)c1OC ZINC000533312236 313611190 /nfs/dbraw/zinc/61/11/90/313611190.db2.gz IHUHSELNWJMRTD-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000544898322 314216777 /nfs/dbraw/zinc/21/67/77/314216777.db2.gz RYBXSUQRXRJCKA-OAHLLOKOSA-N 0 3 307.397 3.464 20 30 DGEDHN CCCC[C@@H](CC)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000546932170 314337082 /nfs/dbraw/zinc/33/70/82/314337082.db2.gz QWTSVJITSOZNOG-JKSUJKDBSA-N 0 3 315.465 3.075 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1COc3cc(F)ccc3C1)CC2 ZINC000563445183 315116481 /nfs/dbraw/zinc/11/64/81/315116481.db2.gz ZERVUPAWQPFCIM-SJLPKXTDSA-N 0 3 308.356 3.278 20 30 DGEDHN N#Cc1nccc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000563735296 315134626 /nfs/dbraw/zinc/13/46/26/315134626.db2.gz YXPVSYFMXGBZSZ-HNNXBMFYSA-N 0 3 310.426 3.105 20 30 DGEDHN CN(Cc1ccc(C#N)cn1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000577451345 316236349 /nfs/dbraw/zinc/23/63/49/316236349.db2.gz JXPXSISEOFXDRO-LJQANCHMSA-N 0 3 306.413 3.054 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]2c2ccccn2)c1 ZINC000577930649 316285217 /nfs/dbraw/zinc/28/52/17/316285217.db2.gz HXTFAIBOLHFOTF-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1O ZINC000577974003 316290466 /nfs/dbraw/zinc/29/04/66/316290466.db2.gz ZHLHZYGQGRXUCJ-MOPGFXCFSA-N 0 3 306.409 3.474 20 30 DGEDHN COC[C@@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000181680380 323264378 /nfs/dbraw/zinc/26/43/78/323264378.db2.gz FOOWQQDTWSXKAE-LJQANCHMSA-N 0 3 310.397 3.304 20 30 DGEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000181789962 323269597 /nfs/dbraw/zinc/26/95/97/323269597.db2.gz BEARQDYXCKNSEK-HNNXBMFYSA-N 0 3 321.424 3.453 20 30 DGEDHN C[C@@H](NCCNC(=O)CC1CCCCC1)c1cccc(C#N)c1 ZINC000181959119 323276877 /nfs/dbraw/zinc/27/68/77/323276877.db2.gz VIDHNFGFLCFKFL-OAHLLOKOSA-N 0 3 313.445 3.295 20 30 DGEDHN Cc1oc(NC(=O)CN[C@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000192790677 323458705 /nfs/dbraw/zinc/45/87/05/323458705.db2.gz SNMNCYTUHQKHIW-GOSISDBHSA-N 0 3 323.396 3.448 20 30 DGEDHN C[C@H](NCc1cc(C#N)cs1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381336526 323615345 /nfs/dbraw/zinc/61/53/45/323615345.db2.gz DBZZKIWGAFXZIR-QWRGUYRKSA-N 0 3 309.435 3.011 20 30 DGEDHN CC[C@@H]1C[C@H](C)CN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000580991448 324061410 /nfs/dbraw/zinc/06/14/10/324061410.db2.gz MDNXHIWZTPORSI-LESCRADOSA-N 0 3 311.429 3.174 20 30 DGEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000583281761 324335553 /nfs/dbraw/zinc/33/55/53/324335553.db2.gz KLPRAROYKQNUPE-OAHLLOKOSA-N 0 3 319.836 3.158 20 30 DGEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000538216667 332244974 /nfs/dbraw/zinc/24/49/74/332244974.db2.gz NJTVYWVQZNZPHK-FRQCXROJSA-N 0 3 315.461 3.397 20 30 DGEDHN C=CCNC(=O)[C@@H](C)S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564966259 332310067 /nfs/dbraw/zinc/31/00/67/332310067.db2.gz MWOKYJWJSIMYPK-NVXWUHKLSA-N 0 3 318.486 3.075 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000560855622 332390434 /nfs/dbraw/zinc/39/04/34/332390434.db2.gz RZYOBZKASGYACD-RDJZCZTQSA-N 0 3 313.445 3.182 20 30 DGEDHN Cc1cccc(OC[C@@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000561191396 332423778 /nfs/dbraw/zinc/42/37/78/332423778.db2.gz CCUURJPWNHGNIQ-ICSRJNTNSA-N 0 3 324.424 3.369 20 30 DGEDHN C=CCOCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000293556379 335108785 /nfs/dbraw/zinc/10/87/85/335108785.db2.gz LTVAHTCGKKAVBE-CQSZACIVSA-N 0 3 304.217 3.209 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000248597665 332612970 /nfs/dbraw/zinc/61/29/70/332612970.db2.gz UCNKRNBERZRWCB-ZMSDIMECSA-N 0 3 307.482 3.151 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000182589346 333179073 /nfs/dbraw/zinc/17/90/73/333179073.db2.gz ZNYDORGTYRFHPV-WBVHZDCISA-N 0 3 321.852 3.435 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2C)C(C)(C)C)C1=O ZINC000499611300 333287893 /nfs/dbraw/zinc/28/78/93/333287893.db2.gz NTKRQOOGRPXGEG-IRXDYDNUSA-N 0 3 300.446 3.459 20 30 DGEDHN C=C[C@H](CC(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000152148892 333626135 /nfs/dbraw/zinc/62/61/35/333626135.db2.gz UBEUKNJUIMTLDP-QGZVFWFLSA-N 0 3 300.446 3.339 20 30 DGEDHN N#CCSCCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000292951886 334194576 /nfs/dbraw/zinc/19/45/76/334194576.db2.gz DZYNFYCDWFBMPH-HNNXBMFYSA-N 0 3 310.850 3.440 20 30 DGEDHN COc1ccc([C@H](O)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293550138 334199003 /nfs/dbraw/zinc/19/90/03/334199003.db2.gz KYUCNMPBRCPNQS-FNHZYXHNSA-N 0 3 314.429 3.133 20 30 DGEDHN COc1ccc(CN2CC[C@@H](SC)C2)cc1OCCCC#N ZINC000295140932 334219751 /nfs/dbraw/zinc/21/97/51/334219751.db2.gz ZQXFYFQWLDTBMR-OAHLLOKOSA-N 0 3 320.458 3.315 20 30 DGEDHN CC(C)[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000303667736 334329182 /nfs/dbraw/zinc/32/91/82/334329182.db2.gz XYSJSUGHEGBAPZ-QGZVFWFLSA-N 0 3 319.493 3.429 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000112047338 334362826 /nfs/dbraw/zinc/36/28/26/334362826.db2.gz FMSAHHBCYPTULO-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000112047336 334362875 /nfs/dbraw/zinc/36/28/75/334362875.db2.gz FMSAHHBCYPTULO-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000302930945 334373656 /nfs/dbraw/zinc/37/36/56/334373656.db2.gz IDBQRUHFLAMIJJ-UHFFFAOYSA-N 0 3 313.445 3.097 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1CCCC1 ZINC000344190824 335229120 /nfs/dbraw/zinc/22/91/20/335229120.db2.gz SUILUPNFTIXBFU-KOHRHEQBSA-N 0 3 319.493 3.428 20 30 DGEDHN C=C(C)CN1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302883412 336373181 /nfs/dbraw/zinc/37/31/81/336373181.db2.gz KXKRVTLPDHFFEV-UHFFFAOYSA-N 0 3 316.405 3.015 20 30 DGEDHN COc1ccc(CN[C@@]2(C)CCCOC2)cc1OCCCC#N ZINC000357339739 336581497 /nfs/dbraw/zinc/58/14/97/336581497.db2.gz BWWHIKXDDSBKRM-SFHVURJKSA-N 0 3 318.417 3.036 20 30 DGEDHN CCOc1c(OC)cc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000361466097 336757747 /nfs/dbraw/zinc/75/77/47/336757747.db2.gz YXAMPHQXIXZWGE-UKRRQHHQSA-N 0 3 318.417 3.274 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000171700955 337088669 /nfs/dbraw/zinc/08/86/69/337088669.db2.gz BMJQSQWWENTMAU-GOSISDBHSA-N 0 3 315.461 3.477 20 30 DGEDHN CN(C)CCN(CCCCC(C)(C)C#N)Cc1ccccn1 ZINC000583271985 337298196 /nfs/dbraw/zinc/29/81/96/337298196.db2.gz WJGZLEGABFSFOC-UHFFFAOYSA-N 0 3 302.466 3.165 20 30 DGEDHN N#CCCC1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000564080386 337452282 /nfs/dbraw/zinc/45/22/82/337452282.db2.gz GGCDEDGNHFKUJG-UHFFFAOYSA-N 0 3 322.412 3.365 20 30 DGEDHN C=CCOc1cccc(CN[C@H](CC)[C@H](O)C(F)(F)F)c1 ZINC000270772175 337642351 /nfs/dbraw/zinc/64/23/51/337642351.db2.gz ADETYIOXEUVGNW-KGLIPLIRSA-N 0 3 303.324 3.043 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2csc3c2CCCC3)CC1 ZINC000106037985 337812181 /nfs/dbraw/zinc/81/21/81/337812181.db2.gz UELLFLLPNZSFQM-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN C=C(C)CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000119124139 337855222 /nfs/dbraw/zinc/85/52/22/337855222.db2.gz ZKYYWTAAHLNSKN-OAHLLOKOSA-N 0 3 301.434 3.087 20 30 DGEDHN CN(C)CCOc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 ZINC000057395977 337859658 /nfs/dbraw/zinc/85/96/58/337859658.db2.gz YPPCQNNXVYIFFG-UHFFFAOYSA-N 0 3 315.417 3.040 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]1C(C)C)C(C)C ZINC000537230775 337926739 /nfs/dbraw/zinc/92/67/39/337926739.db2.gz TYZWEAIBAHEVQT-SJORKVTESA-N 0 3 307.482 3.125 20 30 DGEDHN C=C(C)CNC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 ZINC000085938526 338012312 /nfs/dbraw/zinc/01/23/12/338012312.db2.gz SEPUMROOPLBCET-UHFFFAOYSA-N 0 3 318.417 3.121 20 30 DGEDHN CCC1CCC(N(C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000498650058 340021461 /nfs/dbraw/zinc/02/14/61/340021461.db2.gz VUIYFTGLTPYBLP-UHFFFAOYSA-N 0 3 305.466 3.230 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CCCCC1)C(C)C ZINC000503409683 340127628 /nfs/dbraw/zinc/12/76/28/340127628.db2.gz KBYVGIYSYUDLMA-KRWDZBQOSA-N 0 3 307.482 3.317 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000503432800 340128150 /nfs/dbraw/zinc/12/81/50/340128150.db2.gz ABONKRQDPKAUBE-OKZBNKHCSA-N 0 3 321.509 3.373 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCCCC1)C(C)C ZINC000503436916 340128268 /nfs/dbraw/zinc/12/82/68/340128268.db2.gz DOMQCGMRPFBXGP-KRWDZBQOSA-N 0 3 307.482 3.271 20 30 DGEDHN C=CCN(CC=C)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000505881837 340180568 /nfs/dbraw/zinc/18/05/68/340180568.db2.gz UACURIYWZWXFII-UHFFFAOYSA-N 0 3 303.402 3.029 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508883378 340255046 /nfs/dbraw/zinc/25/50/46/340255046.db2.gz VXFKRVCASNKJJN-DOTOQJQBSA-N 0 3 303.450 3.285 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508896703 340255476 /nfs/dbraw/zinc/25/54/76/340255476.db2.gz IQERVLAWOOSNEZ-WBVHZDCISA-N 0 3 303.450 3.204 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(Br)cc1F ZINC000301948908 340265152 /nfs/dbraw/zinc/26/51/52/340265152.db2.gz HVMABVPIYXGPPA-SNVBAGLBSA-N 0 3 302.187 3.441 20 30 DGEDHN CCOc1ccc(CCC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000510342478 340296476 /nfs/dbraw/zinc/29/64/76/340296476.db2.gz NSLRTHZAYKVKTA-OAHLLOKOSA-N 0 3 314.429 3.416 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000511179503 340323485 /nfs/dbraw/zinc/32/34/85/340323485.db2.gz XTXGDTSQZNAVRI-KBXCAEBGSA-N 0 3 301.434 3.172 20 30 DGEDHN C=CCOc1ccc(CNCc2cnc3c(C)cccn23)cc1 ZINC000512562028 340366982 /nfs/dbraw/zinc/36/69/82/340366982.db2.gz ONSOSHMLKILTNS-UHFFFAOYSA-N 0 3 307.397 3.497 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CCCC)C2CCC2)CC1 ZINC000176586287 340428945 /nfs/dbraw/zinc/42/89/45/340428945.db2.gz VFTZZRUQEKSIHF-QGZVFWFLSA-N 0 3 307.482 3.295 20 30 DGEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000185466408 340501395 /nfs/dbraw/zinc/50/13/95/340501395.db2.gz JAUTYVWDHYADGI-UHFFFAOYSA-N 0 3 300.446 3.079 20 30 DGEDHN C=CCOc1cccc(CN[C@H](CO)Cc2cccc(C)c2)c1 ZINC000189025487 340524778 /nfs/dbraw/zinc/52/47/78/340524778.db2.gz SRHMOWGFBNMLIK-IBGZPJMESA-N 0 3 311.425 3.253 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000540556705 340935971 /nfs/dbraw/zinc/93/59/71/340935971.db2.gz MECJEDMARXBGGV-WMZOPIPTSA-N 0 3 317.477 3.203 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C(C)(C)C)C1 ZINC000542319596 341004728 /nfs/dbraw/zinc/00/47/28/341004728.db2.gz JGVNDSWRGQCNTM-CABCVRRESA-N 0 3 305.466 3.086 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CNC2(C3CC3)CC2)c1C ZINC000543452539 341045527 /nfs/dbraw/zinc/04/55/27/341045527.db2.gz GCHCMTKEXDQBEI-UHFFFAOYSA-N 0 3 311.429 3.082 20 30 DGEDHN C[C@H](c1cc2ccccc2o1)N(C)CCC(=O)N(C)CCC#N ZINC000130891542 341053122 /nfs/dbraw/zinc/05/31/22/341053122.db2.gz PUKPSBTZWIRQTA-CQSZACIVSA-N 0 3 313.401 3.188 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C12CCC(CC1)C2)C(C)C ZINC000544231801 341074799 /nfs/dbraw/zinc/07/47/99/341074799.db2.gz VFCXYXPNGZFBBD-HFCFLWKCSA-N 0 3 304.478 3.382 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC[C@@H](C#N)CCC#N)cc1 ZINC000564281019 341094141 /nfs/dbraw/zinc/09/41/41/341094141.db2.gz SAOUVAREGFFIBP-NEWSRXKRSA-N 0 3 311.429 3.496 20 30 DGEDHN CC1(C)CN(CCCSCC#N)CCN1Cc1ccccc1 ZINC000074990395 341159165 /nfs/dbraw/zinc/15/91/65/341159165.db2.gz MMYHIXORFOSHOK-UHFFFAOYSA-N 0 3 317.502 3.230 20 30 DGEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)c2cccc(Cl)c2)C1=O ZINC000547406559 341211530 /nfs/dbraw/zinc/21/15/30/341211530.db2.gz OTLSWOGZYLBVMP-CJNGLKHVSA-N 0 3 306.837 3.162 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(CC)C[C@H]1CCCN1CC ZINC000547475924 341216009 /nfs/dbraw/zinc/21/60/09/341216009.db2.gz VMQXJTAARUWQES-MRXNPFEDSA-N 0 3 316.445 3.198 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC1CCCCC1)C1CC1 ZINC000077211598 341220969 /nfs/dbraw/zinc/22/09/69/341220969.db2.gz GAOSQVUQNKAPKJ-OAHLLOKOSA-N 0 3 305.466 3.039 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000248874518 341389042 /nfs/dbraw/zinc/38/90/42/341389042.db2.gz IXJQOESQKFWJHQ-DTJGQCLQSA-N 0 3 306.356 3.467 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000248982281 341391255 /nfs/dbraw/zinc/39/12/55/341391255.db2.gz FUHQQZWYFLXCEQ-MAZHCROVSA-N 0 3 313.800 3.226 20 30 DGEDHN COc1cc2c(cc1CN[C@@H]1CCC[C@@H](C#N)C1)O[C@H](C)C2 ZINC000249043143 341392583 /nfs/dbraw/zinc/39/25/83/341392583.db2.gz VHIOTGRWBRYKTH-XJKCOSOUSA-N 0 3 300.402 3.191 20 30 DGEDHN C=C(C)COc1cc(CNC[C@]2(C)CCCO2)ccc1OC ZINC000152890991 341510530 /nfs/dbraw/zinc/51/05/30/341510530.db2.gz KKHCHLLXTYNQSB-SFHVURJKSA-N 0 3 305.418 3.309 20 30 DGEDHN C=CCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000153977139 341582470 /nfs/dbraw/zinc/58/24/70/341582470.db2.gz HQICNRXMHZZVMO-SFHVURJKSA-N 0 3 315.461 3.287 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000572765978 341703482 /nfs/dbraw/zinc/70/34/82/341703482.db2.gz JQUTXTGBXFGXQZ-QZTJIDSGSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@@H](CC)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177970311 341940463 /nfs/dbraw/zinc/94/04/63/341940463.db2.gz GKFGQQBMWAAFOZ-CQSZACIVSA-N 0 3 315.866 3.448 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000347955758 533723171 /nfs/dbraw/zinc/72/31/71/533723171.db2.gz KYGNVDSQDBBXOD-KSSFIOAISA-N 0 3 303.365 3.118 20 30 DGEDHN COc1cc(CN(C)CCOc2cccc(C)c2)ccc1C#N ZINC000442800716 533786229 /nfs/dbraw/zinc/78/62/29/533786229.db2.gz KLQBFMFCELMKLF-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000428781036 533956355 /nfs/dbraw/zinc/95/63/55/533956355.db2.gz GHHRXMVCDFRNNB-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN COc1cc(F)c([C@H](C)NCCCSCC#N)cc1OC ZINC000183505954 533991489 /nfs/dbraw/zinc/99/14/89/533991489.db2.gz VUUFLIPITUMIRI-NSHDSACASA-N 0 3 312.410 3.140 20 30 DGEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(-n2cc(Cl)cn2)n1 ZINC000442860044 534089732 /nfs/dbraw/zinc/08/97/32/534089732.db2.gz RMZOOEGOLVJCNW-DOMZBBRYSA-N 0 3 315.808 3.011 20 30 DGEDHN C[C@@H]1SCCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000433344584 534219656 /nfs/dbraw/zinc/21/96/56/534219656.db2.gz SKKNFKZFMSHTDU-OFQRWUPVSA-N 0 3 302.443 3.111 20 30 DGEDHN C[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000429580835 534246936 /nfs/dbraw/zinc/24/69/36/534246936.db2.gz RFKWWDOKUMXFQN-KGLIPLIRSA-N 0 3 317.458 3.361 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458909865 534334936 /nfs/dbraw/zinc/33/49/36/534334936.db2.gz YOVMYLYUVFEZCJ-BBRMVZONSA-N 0 3 321.490 3.275 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](OCC)[C@@H](C)C2)cc(OC)c1O ZINC000449503010 534413117 /nfs/dbraw/zinc/41/31/17/534413117.db2.gz XFZALPFAGMYDHC-WMLDXEAASA-N 0 3 319.445 3.376 20 30 DGEDHN Cc1ccc2cc(C(=O)C(C#N)c3cc(C)nc(C)n3)ccc2n1 ZINC000340187215 534466101 /nfs/dbraw/zinc/46/61/01/534466101.db2.gz WBPUYEGQOSCLTF-MRXNPFEDSA-N 0 3 316.364 3.440 20 30 DGEDHN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)C1CCCC1 ZINC000267446802 520373184 /nfs/dbraw/zinc/37/31/84/520373184.db2.gz ZXLUSMRLVGCNLS-UHFFFAOYSA-N 0 3 305.447 3.440 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000458813422 534546348 /nfs/dbraw/zinc/54/63/48/534546348.db2.gz STFBWHPHVBQOKA-UHFFFAOYSA-N 0 3 321.465 3.264 20 30 DGEDHN C=CCC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CCCC1 ZINC000459050474 534598226 /nfs/dbraw/zinc/59/82/26/534598226.db2.gz NFJLRAVLSRVZRU-CVEARBPZSA-N 0 3 307.482 3.105 20 30 DGEDHN Cc1cnc([C@H](C)NC(=O)NC[C@H]2N(C)CCCC2(C)C)s1 ZINC000331339969 534642905 /nfs/dbraw/zinc/64/29/05/534642905.db2.gz WYVNIENGPHQXBI-QWHCGFSZSA-N 0 3 324.494 3.137 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@H](O)COCc1ccccc1Cl ZINC000489432786 534695090 /nfs/dbraw/zinc/69/50/90/534695090.db2.gz RDUBDKWNXBLPMJ-HOTGVXAUSA-N 0 3 309.837 3.258 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1Cl ZINC000489432788 534695302 /nfs/dbraw/zinc/69/53/02/534695302.db2.gz RDUBDKWNXBLPMJ-JKSUJKDBSA-N 0 3 309.837 3.258 20 30 DGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000428954589 534763602 /nfs/dbraw/zinc/76/36/02/534763602.db2.gz MKQGNRILCNMMTK-QGTPRVQTSA-N 0 3 302.393 3.213 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000449699426 534791046 /nfs/dbraw/zinc/79/10/46/534791046.db2.gz QOKMQCRTZAHBKD-INIZCTEOSA-N 0 3 319.836 3.251 20 30 DGEDHN C=CCC[C@H](O)CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915253 534805706 /nfs/dbraw/zinc/80/57/06/534805706.db2.gz TZWWRXZIWAYUSH-LSDHHAIUSA-N 0 3 318.244 3.118 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185661163 526299037 /nfs/dbraw/zinc/29/90/37/526299037.db2.gz GEUSBVSGGSKFKT-QAPCUYQASA-N 0 3 318.486 3.441 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000350700927 526313395 /nfs/dbraw/zinc/31/33/95/526313395.db2.gz OYCGIMUBGXMYES-UHFFFAOYSA-N 0 3 322.408 3.248 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1cnn(CC(F)F)c1 ZINC000350698297 526313815 /nfs/dbraw/zinc/31/38/15/526313815.db2.gz CNEQJEWITCISFK-UHFFFAOYSA-N 0 3 305.372 3.379 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](CC)N(CC)CC ZINC000345981624 526339541 /nfs/dbraw/zinc/33/95/41/526339541.db2.gz ICZIBVKFZPKVKF-SFHVURJKSA-N 0 3 318.461 3.330 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)Sc2ccc(C)cc2)CC1 ZINC000357578871 526444736 /nfs/dbraw/zinc/44/47/36/526444736.db2.gz FHTUNSRGJUDWSK-HNNXBMFYSA-N 0 3 318.486 3.242 20 30 DGEDHN C=CCN1CC[C@@H](N(C2CC2)[C@@H]2CCCc3ccccc32)C1=O ZINC000337159339 526474626 /nfs/dbraw/zinc/47/46/26/526474626.db2.gz RSBRUWXFNHVBMO-RTBURBONSA-N 0 3 310.441 3.315 20 30 DGEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1)c1sccc1C ZINC000180036425 526573214 /nfs/dbraw/zinc/57/32/14/526573214.db2.gz VRBGUTJGEZHAOF-MRXNPFEDSA-N 0 3 314.454 3.232 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(SC)cc2)CC1 ZINC000357587344 526599963 /nfs/dbraw/zinc/59/99/63/526599963.db2.gz HRHNHJXIXMDTDE-UHFFFAOYSA-N 0 3 304.459 3.179 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2coc3cc(F)ccc23)CC1 ZINC000355651279 526602475 /nfs/dbraw/zinc/60/24/75/526602475.db2.gz ALMRURKVFGPYGI-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)CN1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183737944 526603544 /nfs/dbraw/zinc/60/35/44/526603544.db2.gz OBJJSEWSFZDMGQ-UHFFFAOYSA-N 0 3 323.824 3.378 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncnc3scc(C)c32)CC1 ZINC000413127761 526606819 /nfs/dbraw/zinc/60/68/19/526606819.db2.gz MYYXZITUQOCIES-UHFFFAOYSA-N 0 3 302.447 3.452 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)CC[C@H]2C)ccc1OC ZINC000353461665 526660151 /nfs/dbraw/zinc/66/01/51/526660151.db2.gz NDVGZASHIFUBJW-MRXNPFEDSA-N 0 3 318.461 3.176 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)ccc1OC ZINC000354438387 526661039 /nfs/dbraw/zinc/66/10/39/526661039.db2.gz FAASGIBVVQTHSK-IYBDPMFKSA-N 0 3 318.461 3.175 20 30 DGEDHN C#CCCCCC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000180005302 526685864 /nfs/dbraw/zinc/68/58/64/526685864.db2.gz HPOZRRGOLMUOGM-UHFFFAOYSA-N 0 3 300.446 3.290 20 30 DGEDHN C=C(C)[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000184855994 526753123 /nfs/dbraw/zinc/75/31/23/526753123.db2.gz RCMGUYPGWHSBTJ-MRXNPFEDSA-N 0 3 308.372 3.040 20 30 DGEDHN C=CCOCCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000347960195 526756202 /nfs/dbraw/zinc/75/62/02/526756202.db2.gz FIKKOUKNCWVPRW-UHFFFAOYSA-N 0 3 308.853 3.050 20 30 DGEDHN C=CCOCCN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000339183535 526769159 /nfs/dbraw/zinc/76/91/59/526769159.db2.gz AJEGTNIWVBMTOZ-UHFFFAOYSA-N 0 3 303.324 3.262 20 30 DGEDHN C=C(C)[C@H](NC(=O)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000184855974 526817802 /nfs/dbraw/zinc/81/78/02/526817802.db2.gz RCMGUYPGWHSBTJ-INIZCTEOSA-N 0 3 308.372 3.040 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000351483407 526849461 /nfs/dbraw/zinc/84/94/61/526849461.db2.gz OJAQOBYDEFICHE-CVEARBPZSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(CC)CN1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000358494265 526852577 /nfs/dbraw/zinc/85/25/77/526852577.db2.gz FDMCHKGSOMEXEX-OAHLLOKOSA-N 0 3 323.506 3.324 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)cc1OC ZINC000443784112 526872023 /nfs/dbraw/zinc/87/20/23/526872023.db2.gz RZUVYUUZEFSSIY-ZOBUZTSGSA-N 0 3 319.445 3.241 20 30 DGEDHN C=C(CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000346782127 526883740 /nfs/dbraw/zinc/88/37/40/526883740.db2.gz SYHFRBYFVONHPL-HNNXBMFYSA-N 0 3 315.438 3.454 20 30 DGEDHN C=CCOc1ccc(CNCC2(C(=O)OCC)CC2)cc1Cl ZINC000351894387 526884118 /nfs/dbraw/zinc/88/41/18/526884118.db2.gz RIGSBTDKZIBLBG-UHFFFAOYSA-N 0 3 323.820 3.338 20 30 DGEDHN C=CC1CCN(CCOc2ccc(C(=O)OC)cc2Cl)CC1 ZINC000441396886 526978900 /nfs/dbraw/zinc/97/89/00/526978900.db2.gz VDWSSZKJRFZSOU-UHFFFAOYSA-N 0 3 323.820 3.403 20 30 DGEDHN CC(C)(CCC#N)CN1CCC(Oc2ncccc2F)CC1 ZINC000278274708 526983848 /nfs/dbraw/zinc/98/38/48/526983848.db2.gz PFFWFNPEQOTUKE-UHFFFAOYSA-N 0 3 305.397 3.394 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000360222952 527046150 /nfs/dbraw/zinc/04/61/50/527046150.db2.gz XCFAMDGCKZVRRX-QZTJIDSGSA-N 0 3 315.461 3.305 20 30 DGEDHN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182009390 527059074 /nfs/dbraw/zinc/05/90/74/527059074.db2.gz NUQXLTOXLYDKRX-AWEZNQCLSA-N 0 3 323.396 3.398 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000132512022 527066561 /nfs/dbraw/zinc/06/65/61/527066561.db2.gz FGYZOPAWXGKSJA-WMZOPIPTSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346629377 527083153 /nfs/dbraw/zinc/08/31/53/527083153.db2.gz UJKWPFKWRQCCJQ-KDOFPFPSSA-N 0 3 300.377 3.084 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000355732552 527152613 /nfs/dbraw/zinc/15/26/13/527152613.db2.gz MLADCMJXQQASGJ-SOUVJXGZSA-N 0 3 307.438 3.363 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000355732550 527154881 /nfs/dbraw/zinc/15/48/81/527154881.db2.gz MLADCMJXQQASGJ-KKUMJFAQSA-N 0 3 307.438 3.363 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000355835922 527157944 /nfs/dbraw/zinc/15/79/44/527157944.db2.gz VSUOAXPJDDIRKD-SZMVWBNQSA-N 0 3 315.461 3.303 20 30 DGEDHN C=CC[C@H](CC)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000341384785 527158983 /nfs/dbraw/zinc/15/89/83/527158983.db2.gz XYAUKQHDYXQOEH-AWEZNQCLSA-N 0 3 305.422 3.103 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000341883108 527189428 /nfs/dbraw/zinc/18/94/28/527189428.db2.gz USRPSFSNGSDBHE-QWRGUYRKSA-N 0 3 303.324 3.262 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C2CC2)CC1 ZINC000412845092 527213655 /nfs/dbraw/zinc/21/36/55/527213655.db2.gz VBYGTLVYGGJWHS-GOSISDBHSA-N 0 3 312.457 3.164 20 30 DGEDHN CC(C)(CO)[C@@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000429715740 527214428 /nfs/dbraw/zinc/21/44/28/527214428.db2.gz JCJJXNCVGOFMOO-IBGZPJMESA-N 0 3 324.424 3.286 20 30 DGEDHN CC(C)(COc1ncccc1C(F)(F)F)NCCCC#N ZINC000181656628 527224094 /nfs/dbraw/zinc/22/40/94/527224094.db2.gz QFNXTZVDOOAMCA-UHFFFAOYSA-N 0 3 301.312 3.151 20 30 DGEDHN C=CCc1cc(CN(C)CCc2ccncc2)cc(OC)c1O ZINC000183761207 527235058 /nfs/dbraw/zinc/23/50/58/527235058.db2.gz JOTBFZHBXOYJIQ-UHFFFAOYSA-N 0 3 312.413 3.199 20 30 DGEDHN C=CCCOCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433303462 527367573 /nfs/dbraw/zinc/36/75/73/527367573.db2.gz LCUOUMKFXBYAMW-MRXNPFEDSA-N 0 3 304.390 3.500 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(CCC)CCN1CCCCCC1 ZINC000345338750 527388908 /nfs/dbraw/zinc/38/89/08/527388908.db2.gz FHEKAYDTEHMEOK-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=C[C@@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000346006385 527405870 /nfs/dbraw/zinc/40/58/70/527405870.db2.gz GGROFXGQJKAMAV-WBVHZDCISA-N 0 3 303.450 3.017 20 30 DGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000358303348 527417182 /nfs/dbraw/zinc/41/71/82/527417182.db2.gz QSPLKAFKSRLXQY-CABCVRRESA-N 0 3 322.474 3.086 20 30 DGEDHN C=CCC[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000131068580 527440365 /nfs/dbraw/zinc/44/03/65/527440365.db2.gz XDYIHAYLZQRQCW-ZWKOTPCHSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@@H](NCCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000180042374 527448231 /nfs/dbraw/zinc/44/82/31/527448231.db2.gz CCEXGMRPOVMPTN-QGZVFWFLSA-N 0 3 309.475 3.497 20 30 DGEDHN CC(C)=CCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354458211 527449197 /nfs/dbraw/zinc/44/91/97/527449197.db2.gz COEWHMGRISVBQI-MRXNPFEDSA-N 0 3 307.353 3.312 20 30 DGEDHN C=CCC[C@@H](NC[C@@H]1CN(CC(C)C)CCO1)c1ccco1 ZINC000353445022 527449365 /nfs/dbraw/zinc/44/93/65/527449365.db2.gz WBISJSPOVPXDDC-IAGOWNOFSA-N 0 3 306.450 3.233 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000131067918 527476890 /nfs/dbraw/zinc/47/68/90/527476890.db2.gz XDYIHAYLZQRQCW-MSOLQXFVSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000343920483 527479776 /nfs/dbraw/zinc/47/97/76/527479776.db2.gz QCAZWZSPIFJGQG-NJAFHUGGSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccccc1 ZINC000358401612 527482488 /nfs/dbraw/zinc/48/24/88/527482488.db2.gz NVJSGACEMRYXRI-INIZCTEOSA-N 0 3 307.459 3.108 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000429725677 527574879 /nfs/dbraw/zinc/57/48/79/527574879.db2.gz ZJDXPMJEQUOSDX-HNNXBMFYSA-N 0 3 305.422 3.404 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000429722212 527575614 /nfs/dbraw/zinc/57/56/14/527575614.db2.gz SFSIWURRWZDYLJ-AWEZNQCLSA-N 0 3 323.868 3.107 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C)ccn1)C(C)C ZINC000345123100 527646324 /nfs/dbraw/zinc/64/63/24/527646324.db2.gz JAHNAZJZZHGQQI-INIZCTEOSA-N 0 3 316.449 3.210 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccoc1CC)C(C)C ZINC000431373603 527649555 /nfs/dbraw/zinc/64/95/55/527649555.db2.gz ZVNKVHZAOMYSFR-MRXNPFEDSA-N 0 3 304.434 3.270 20 30 DGEDHN CC1(C)C[C@H](NC(=O)C(C#N)CCc2ccccc2)C(C)(C)O1 ZINC000331195109 527737525 /nfs/dbraw/zinc/73/75/25/527737525.db2.gz NCYICAAEVABPRE-CVEARBPZSA-N 0 3 314.429 3.221 20 30 DGEDHN CCC[C@@H]1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000302048425 527790052 /nfs/dbraw/zinc/79/00/52/527790052.db2.gz ZEWRGRZAELMUCZ-LJQANCHMSA-N 0 3 320.440 3.444 20 30 DGEDHN CC(C)OC(=O)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000349245001 527804252 /nfs/dbraw/zinc/80/42/52/527804252.db2.gz OZUGCCVKPZRQJU-OIISXLGYSA-N 0 3 300.402 3.351 20 30 DGEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000066394594 528087955 /nfs/dbraw/zinc/08/79/55/528087955.db2.gz YXLGNRMERPXRBU-LBPRGKRZSA-N 0 3 314.216 3.016 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2OC)C12CCC2 ZINC000296118550 528097844 /nfs/dbraw/zinc/09/78/44/528097844.db2.gz IPOOYTMVXYXNBO-SJORKVTESA-N 0 3 300.402 3.004 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(OC)c2)C1(C)C ZINC000442883655 528130590 /nfs/dbraw/zinc/13/05/90/528130590.db2.gz HZNCPHMMUWXCJX-IRXDYDNUSA-N 0 3 302.418 3.202 20 30 DGEDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000343638621 528226301 /nfs/dbraw/zinc/22/63/01/528226301.db2.gz ZKPPZGPDKSWERC-QGZVFWFLSA-N 0 3 313.445 3.092 20 30 DGEDHN CC(C)Oc1cccc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185829670 528244360 /nfs/dbraw/zinc/24/43/60/528244360.db2.gz FYWOCOZIPYZGTI-YXJHDRRASA-N 0 3 302.418 3.179 20 30 DGEDHN CCN(CCN1CCCCCC1)C(=O)c1cccc(CC#N)c1 ZINC000346346450 528477424 /nfs/dbraw/zinc/47/74/24/528477424.db2.gz LPVHNHNZEIGBIW-UHFFFAOYSA-N 0 3 313.445 3.091 20 30 DGEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000443072633 528527475 /nfs/dbraw/zinc/52/74/75/528527475.db2.gz VGVHMLRJOVHMER-GOSISDBHSA-N 0 3 302.418 3.348 20 30 DGEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000347121064 528542939 /nfs/dbraw/zinc/54/29/39/528542939.db2.gz YKKVZLUUPYBHLE-GJZGRUSLSA-N 0 3 324.428 3.483 20 30 DGEDHN CC(C)C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000180759223 528570269 /nfs/dbraw/zinc/57/02/69/528570269.db2.gz AWPZXHOMEQTEJQ-HKUYNNGSSA-N 0 3 315.461 3.418 20 30 DGEDHN CC(C)n1nccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000130161214 528676624 /nfs/dbraw/zinc/67/66/24/528676624.db2.gz AJMKLNCYFZIBOR-NSHDSACASA-N 0 3 322.290 3.368 20 30 DGEDHN CCN(Cc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1)C1CC1 ZINC000357446159 528773954 /nfs/dbraw/zinc/77/39/54/528773954.db2.gz RVKCXAPKAZMIPR-UHFFFAOYSA-N 0 3 311.429 3.189 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000330960971 528933303 /nfs/dbraw/zinc/93/33/03/528933303.db2.gz JLSOFBVAEYSNKB-UHFFFAOYSA-N 0 3 321.371 3.263 20 30 DGEDHN CCC[C@@H](NC(C)C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000351648501 528997887 /nfs/dbraw/zinc/99/78/87/528997887.db2.gz LTOXHYPVTFLJOA-QGZVFWFLSA-N 0 3 317.433 3.474 20 30 DGEDHN CC(C)N1CCN(c2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442874944 529045936 /nfs/dbraw/zinc/04/59/36/529045936.db2.gz RTDNBEOFSNOHCT-SJLPKXTDSA-N 0 3 312.461 3.321 20 30 DGEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185813007 529180245 /nfs/dbraw/zinc/18/02/45/529180245.db2.gz DHAPDKHDZQPEOS-MPGHIAIKSA-N 0 3 313.445 3.387 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353233760 529348870 /nfs/dbraw/zinc/34/88/70/529348870.db2.gz WQEDAFQXKBMAFB-JLJPHGGASA-N 0 3 319.474 3.187 20 30 DGEDHN CC(C)CC[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000472809479 534920590 /nfs/dbraw/zinc/92/05/90/534920590.db2.gz KSIMATCLEADIDT-WMZOPIPTSA-N 0 3 307.482 3.332 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@H]1n1cccn1 ZINC000449655155 534998140 /nfs/dbraw/zinc/99/81/40/534998140.db2.gz GJXCHUGATUGRFU-KZNAEPCWSA-N 0 3 324.428 3.042 20 30 DGEDHN CCCNC(=O)OC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000496462730 535102145 /nfs/dbraw/zinc/10/21/45/535102145.db2.gz RIIZJHXLPHDGQY-OAHLLOKOSA-N 0 3 309.454 3.307 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488982463 535594168 /nfs/dbraw/zinc/59/41/68/535594168.db2.gz PTTGZUVHAPRCJD-IBGZPJMESA-N 0 3 314.429 3.278 20 30 DGEDHN C[C@H](C1CC1)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000047909292 545684771 /nfs/dbraw/zinc/68/47/71/545684771.db2.gz UUTRGLWPWOMPBM-OAHLLOKOSA-N 0 3 311.429 3.196 20 30 DGEDHN C=CCOc1ccc(CN2CCC(OCC)CC2)cc1OC ZINC000091678152 545838448 /nfs/dbraw/zinc/83/84/48/545838448.db2.gz RYNGMPMSRPTNMX-UHFFFAOYSA-N 0 3 305.418 3.261 20 30 DGEDHN O=C(NC1CCN(C2CC2)CC1)c1coc(-c2ccccc2)n1 ZINC000329429239 546485686 /nfs/dbraw/zinc/48/56/86/546485686.db2.gz JXSSINHUUFIICX-UHFFFAOYSA-N 0 3 311.385 3.273 20 30 DGEDHN CCO[C@H](C)c1ncc(C(=O)NC2CCN(C3CC3)CC2)s1 ZINC000329602970 546488561 /nfs/dbraw/zinc/48/85/61/546488561.db2.gz GBMYCHVYZBHLEP-LLVKDONJSA-N 0 3 323.462 3.172 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000668625959 547495985 /nfs/dbraw/zinc/49/59/85/547495985.db2.gz JCSSBKXCIIXSMX-KGLIPLIRSA-N 0 3 305.418 3.129 20 30 DGEDHN C=CCOc1ccc(CN2CC(C3CCOCC3)C2)cc1OC ZINC000669715612 547678412 /nfs/dbraw/zinc/67/84/12/547678412.db2.gz ZINARJJKKGKHLA-UHFFFAOYSA-N 0 3 317.429 3.118 20 30 DGEDHN CCC#C[C@H](C)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000670093174 547725596 /nfs/dbraw/zinc/72/55/96/547725596.db2.gz ONEKIJIBSRDEQQ-CWFSZBLJSA-N 0 3 312.457 3.365 20 30 DGEDHN C=CCOc1cccc(CN(CCO)CCc2ccccc2)c1 ZINC000678267236 548661793 /nfs/dbraw/zinc/66/17/93/548661793.db2.gz FNFZRGVLQNORMH-UHFFFAOYSA-N 0 3 311.425 3.288 20 30 DGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678743270 548756049 /nfs/dbraw/zinc/75/60/49/548756049.db2.gz CNOXYOSJHWFZFQ-BEFAXECRSA-N 0 3 312.413 3.248 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000679174670 548842298 /nfs/dbraw/zinc/84/22/98/548842298.db2.gz CYCKKSIZWMVNQP-RDJZCZTQSA-N 0 3 308.429 3.453 20 30 DGEDHN C=CCOCCNCc1ccc(Br)cc1SC ZINC000679485568 548903266 /nfs/dbraw/zinc/90/32/66/548903266.db2.gz IKXVZTUXQYLVSE-UHFFFAOYSA-N 0 3 316.264 3.463 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000679575863 548920438 /nfs/dbraw/zinc/92/04/38/548920438.db2.gz CUDVKHWLIYYWFT-OAHLLOKOSA-N 0 3 319.449 3.414 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000682363948 549309604 /nfs/dbraw/zinc/30/96/04/549309604.db2.gz QKSGOJTVVQWYSA-LJQANCHMSA-N 0 3 316.445 3.184 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@H](Cc3ccc(C)cc3)C2)C1=O ZINC000685000026 549731689 /nfs/dbraw/zinc/73/16/89/549731689.db2.gz CHUZGAYYCOTHHM-MOPGFXCFSA-N 0 3 312.457 3.036 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1=O ZINC000685002246 549732511 /nfs/dbraw/zinc/73/25/11/549732511.db2.gz CUPZWKOFEVMDDO-LPHOPBHVSA-N 0 3 323.440 3.134 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000733204831 574607671 /nfs/dbraw/zinc/60/76/71/574607671.db2.gz AUVLSLJVTFHKSW-MRGVZLDZSA-N 0 3 318.339 3.235 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000733326141 574615932 /nfs/dbraw/zinc/61/59/32/574615932.db2.gz KZDRIURRZRDYBH-HNNXBMFYSA-N 0 3 307.393 3.484 20 30 DGEDHN C#CCOc1ccc(CNCCOc2c(C)cccc2C)cc1 ZINC000733325071 574616023 /nfs/dbraw/zinc/61/60/23/574616023.db2.gz VMPJCHJZQYCKKZ-UHFFFAOYSA-N 0 3 309.409 3.484 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)C ZINC000734149184 574652047 /nfs/dbraw/zinc/65/20/47/574652047.db2.gz AQTRJEAPDIMMOY-CYBMUJFWSA-N 0 3 315.442 3.450 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000735205229 574692407 /nfs/dbraw/zinc/69/24/07/574692407.db2.gz BBONKSPTABRQPL-PPOCWRSBSA-N 0 3 300.358 3.089 20 30 DGEDHN CC(C)CNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000735669979 574711207 /nfs/dbraw/zinc/71/12/07/574711207.db2.gz UXSYXADUARXJAR-HNNXBMFYSA-N 0 3 313.445 3.103 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCc3cscn3)nc21 ZINC000735791053 574715109 /nfs/dbraw/zinc/71/51/09/574715109.db2.gz UALBRBTZLGMKOA-LBPRGKRZSA-N 0 3 310.382 3.137 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CCc3cscn3)[nH]c21 ZINC000735791053 574715112 /nfs/dbraw/zinc/71/51/12/574715112.db2.gz UALBRBTZLGMKOA-LBPRGKRZSA-N 0 3 310.382 3.137 20 30 DGEDHN C#Cc1cccc(NC(=S)N(C)[C@@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000740638744 574938165 /nfs/dbraw/zinc/93/81/65/574938165.db2.gz YJELNAHGTUNVMV-WMLDXEAASA-N 0 3 315.486 3.169 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2ccc(C)cc2C)[C@H](C)C1 ZINC000741453042 574958443 /nfs/dbraw/zinc/95/84/43/574958443.db2.gz KOLNJHRIFASELH-CQSZACIVSA-N 0 3 318.490 3.308 20 30 DGEDHN CC(C)CN(CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741793715 574971588 /nfs/dbraw/zinc/97/15/88/574971588.db2.gz BSTGQUSPGQXFEJ-HNNXBMFYSA-N 0 3 309.454 3.115 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000742707004 575014132 /nfs/dbraw/zinc/01/41/32/575014132.db2.gz SZXGBIGTSRCNFZ-CJNGLKHVSA-N 0 3 304.409 3.031 20 30 DGEDHN C=C(C)CNC(=S)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000743036677 575032061 /nfs/dbraw/zinc/03/20/61/575032061.db2.gz OLBRUMGDJXDDPH-MRXNPFEDSA-N 0 3 317.502 3.033 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(C)C ZINC000743328970 575043739 /nfs/dbraw/zinc/04/37/39/575043739.db2.gz CTTDDDKFXZMQTI-KRWDZBQOSA-N 0 3 303.450 3.204 20 30 DGEDHN C=CCCOC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000744048918 575069884 /nfs/dbraw/zinc/06/98/84/575069884.db2.gz FPCXXXFNBFTHMA-MRXNPFEDSA-N 0 3 301.386 3.282 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccc(OCC)cc2)CC1 ZINC000729941834 575267611 /nfs/dbraw/zinc/26/76/11/575267611.db2.gz DRBSEESFEHXOLO-UHFFFAOYSA-N 0 3 319.474 3.022 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccccc2OC)CC1 ZINC000729942067 575267620 /nfs/dbraw/zinc/26/76/20/575267620.db2.gz HZBAYMWJWRABIO-UHFFFAOYSA-N 0 3 319.474 3.022 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000729942028 575267664 /nfs/dbraw/zinc/26/76/64/575267664.db2.gz GAVLCOLKKGJREQ-UHFFFAOYSA-N 0 3 303.475 3.240 20 30 DGEDHN C#CCN(C(=O)NC[C@@H](C)N1CCCC[C@@H]1C)C1CCCCC1 ZINC000744834516 575360180 /nfs/dbraw/zinc/36/01/80/575360180.db2.gz OQGMKRKZGLUSJG-DLBZAZTESA-N 0 3 319.493 3.227 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCC1=NOCc1cccnc1 ZINC000746585627 575463587 /nfs/dbraw/zinc/46/35/87/575463587.db2.gz ISGRGJKMSSRVOG-MRXNPFEDSA-N 0 3 309.413 3.496 20 30 DGEDHN Cc1nnc(C)n1N=C[C@@H](C)c1cccc(Br)c1 ZINC000747629762 575528002 /nfs/dbraw/zinc/52/80/02/575528002.db2.gz IASGNQWXVWLZNN-SECBINFHSA-N 0 3 307.195 3.295 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOCc2cccc(Cl)c2)cc1 ZINC000747838859 575545741 /nfs/dbraw/zinc/54/57/41/575545741.db2.gz OXPCNHJMQNLXJB-UHFFFAOYSA-N 0 3 317.820 3.239 20 30 DGEDHN Cc1ccc(N2CCN(CCCSCC#N)[C@@H](C)C2)cc1C ZINC000747971948 575554358 /nfs/dbraw/zinc/55/43/58/575554358.db2.gz XLQWOJKJDIZYAF-KRWDZBQOSA-N 0 3 317.502 3.461 20 30 DGEDHN CC(=NNc1cccc(C#N)c1)c1ccc(OCCN(C)C)cc1 ZINC000748132424 575563088 /nfs/dbraw/zinc/56/30/88/575563088.db2.gz APVBTKXGKSJTMK-UHFFFAOYSA-N 0 3 322.412 3.335 20 30 DGEDHN CCN(CC)CC#C[C@H](C)OC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000748905396 575614145 /nfs/dbraw/zinc/61/41/45/575614145.db2.gz IGJVFVGMIRXXBT-JYJNAYRXSA-N 0 3 319.470 3.437 20 30 DGEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000749295087 575643440 /nfs/dbraw/zinc/64/34/40/575643440.db2.gz ILRWSLXWNVGPNC-XJKSGUPXSA-N 0 3 316.426 3.171 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750259891 575714518 /nfs/dbraw/zinc/71/45/18/575714518.db2.gz AGWUHPKUYBUYNZ-KGLIPLIRSA-N 0 3 320.820 3.101 20 30 DGEDHN C=C(C)CNC(=S)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000751041055 575769265 /nfs/dbraw/zinc/76/92/65/575769265.db2.gz XAMZTWBJTGFFRW-DOTOQJQBSA-N 0 3 317.502 3.080 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)[C@H](C)C2)cc1C ZINC000752075373 575821048 /nfs/dbraw/zinc/82/10/48/575821048.db2.gz JCPNBAWKRKENQJ-IAGOWNOFSA-N 0 3 313.445 3.138 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@H](C)CCCCCCC)CC1 ZINC000742356168 575840034 /nfs/dbraw/zinc/84/00/34/575840034.db2.gz RSZCUDPCCLCMBM-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000726461393 576025072 /nfs/dbraw/zinc/02/50/72/576025072.db2.gz ZLVNCAPJYKXIBK-GJZGRUSLSA-N 0 3 315.486 3.217 20 30 DGEDHN C#Cc1cccc(NC(=S)N2CCCN(C(C)(C)C)CC2)c1 ZINC000726485666 576027083 /nfs/dbraw/zinc/02/70/83/576027083.db2.gz VCZBUUONQDSYDB-UHFFFAOYSA-N 0 3 315.486 3.171 20 30 DGEDHN CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)C ZINC000726971206 576089688 /nfs/dbraw/zinc/08/96/88/576089688.db2.gz AWPFAXMZGLRYDW-CQSZACIVSA-N 0 3 322.412 3.202 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000727953700 576156125 /nfs/dbraw/zinc/15/61/25/576156125.db2.gz MYFARYOLOJTQLE-YOEHRIQHSA-N 0 3 314.429 3.368 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCCN2CCc3ccccc32)cc1 ZINC000728711431 576197311 /nfs/dbraw/zinc/19/73/11/576197311.db2.gz ABQWKSGCJNSSCY-INIZCTEOSA-N 0 3 321.424 3.130 20 30 DGEDHN CC(C)[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917102099 620656769 /nfs/dbraw/zinc/65/67/69/620656769.db2.gz XMZCDBXVIWBDKM-CHWSQXEVSA-N 0 3 315.442 3.449 20 30 DGEDHN C#Cc1cccnc1NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000853089727 620667158 /nfs/dbraw/zinc/66/71/58/620667158.db2.gz RUYWWHHBVQSRHY-SFHVURJKSA-N 0 3 321.424 3.321 20 30 DGEDHN C[C@@H]1CCCCN1CCNc1cc(Br)cnc1C#N ZINC000853162045 620673954 /nfs/dbraw/zinc/67/39/54/620673954.db2.gz LQWWAGHGLQARPW-LLVKDONJSA-N 0 3 323.238 3.002 20 30 DGEDHN COC(=O)c1cccc(N=NC2CCCN3CCCC[C@@H]23)c1C ZINC000853397550 620692512 /nfs/dbraw/zinc/69/25/12/620692512.db2.gz GKUVELJRMBNAPC-KRWDZBQOSA-N 0 3 315.417 3.198 20 30 DGEDHN CCCCCCCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000918493772 620709940 /nfs/dbraw/zinc/70/99/40/620709940.db2.gz CUVSZPFUPOYZRE-VXGBXAGGSA-N 0 3 323.355 3.347 20 30 DGEDHN C#C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000890654327 617634808 /nfs/dbraw/zinc/63/48/08/617634808.db2.gz BFSPVGTVILBZRN-IBGZPJMESA-N 0 3 310.441 3.300 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248031 617759698 /nfs/dbraw/zinc/75/96/98/617759698.db2.gz KGPXFGJRNDLCDK-PKOBYXMFSA-N 0 3 317.477 3.074 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000919785167 620765810 /nfs/dbraw/zinc/76/58/10/620765810.db2.gz WXYQKTQALHEIQR-FUHWJXTLSA-N 0 3 315.461 3.428 20 30 DGEDHN CC[C@H](N[C@@H](C)CC(C)(C)C#N)C(=O)NCc1cccs1 ZINC000926637758 618076378 /nfs/dbraw/zinc/07/63/78/618076378.db2.gz NWTORVIAROEERO-JSGCOSHPSA-N 0 3 307.463 3.061 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCc2sccc2C1=O)c1ccccn1 ZINC000892481648 618078277 /nfs/dbraw/zinc/07/82/77/618078277.db2.gz REMSVABYIMEJMH-AAEUAGOBSA-N 0 3 310.378 3.155 20 30 DGEDHN C#CCOc1ccccc1CNCCOc1cc(C)cc(C)c1 ZINC000920181356 620788838 /nfs/dbraw/zinc/78/88/38/620788838.db2.gz LFZGUHCAGMXFLJ-UHFFFAOYSA-N 0 3 309.409 3.484 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2C2CCCC2)CC1 ZINC000892851282 618329796 /nfs/dbraw/zinc/32/97/96/618329796.db2.gz GLNRKXAFGGYISX-QGZVFWFLSA-N 0 3 305.466 3.001 20 30 DGEDHN N#Cc1cc(CN2CCCN3c4ccccc4C[C@@H]3C2)cs1 ZINC000894537896 618376722 /nfs/dbraw/zinc/37/67/22/618376722.db2.gz YZOUBINTTOTKCL-MRXNPFEDSA-N 0 3 309.438 3.257 20 30 DGEDHN C#C[C@H](NC[C@H]1CCSC1)c1ccc(Br)cc1 ZINC000894870985 618483688 /nfs/dbraw/zinc/48/36/88/618483688.db2.gz REONXQFMJQTSKW-RISCZKNCSA-N 0 3 310.260 3.466 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCC2(C#N)CCC2)C1 ZINC000894968138 618504269 /nfs/dbraw/zinc/50/42/69/618504269.db2.gz ZSKSEDZKBKJXOR-KRWDZBQOSA-N 0 3 321.465 3.307 20 30 DGEDHN CC(C)(N[C@@H]1CCC2(C[C@H]1F)OCCO2)c1cccc(C#N)c1 ZINC000895330654 618597054 /nfs/dbraw/zinc/59/70/54/618597054.db2.gz VIMZZXOVBPXLQJ-HZPDHXFCSA-N 0 3 318.392 3.017 20 30 DGEDHN C#C[C@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000893657367 618633373 /nfs/dbraw/zinc/63/33/73/618633373.db2.gz RGJDDARTWSMBCY-KRWDZBQOSA-N 0 3 317.816 3.432 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2csc(C#N)c2)C1 ZINC000894068366 618703857 /nfs/dbraw/zinc/70/38/57/618703857.db2.gz VDQPRERUJYLPEN-MRXNPFEDSA-N 0 3 306.431 3.031 20 30 DGEDHN CCc1[nH]c(CN[C@@H](C)c2ccc(C#N)cc2)cc1C(=O)OC ZINC000894164729 618722261 /nfs/dbraw/zinc/72/22/61/618722261.db2.gz JFFBGXGEKMGYDY-LBPRGKRZSA-N 0 3 311.385 3.086 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000924926664 618740391 /nfs/dbraw/zinc/74/03/91/618740391.db2.gz MAECHYRQTQIHEG-WFASDCNBSA-N 0 3 314.351 3.354 20 30 DGEDHN C#CC[C@H]1CCN(Cc2ccc(C(F)(F)F)nc2N(C)C)C1 ZINC000895562496 618799449 /nfs/dbraw/zinc/79/94/49/618799449.db2.gz IBUJDMMOOKBTSE-LBPRGKRZSA-N 0 3 311.351 3.012 20 30 DGEDHN CC(C)(C)OCCCN1CCN(CC(C)(C)CCC#N)CC1 ZINC000895645557 618812077 /nfs/dbraw/zinc/81/20/77/618812077.db2.gz REXLVRMYAQVIBY-UHFFFAOYSA-N 0 3 309.498 3.139 20 30 DGEDHN C=CCC1(O)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000895827053 618834136 /nfs/dbraw/zinc/83/41/36/618834136.db2.gz JJHZTMPSJRAOEL-UHFFFAOYSA-N 0 3 304.390 3.115 20 30 DGEDHN C=CCC1(O)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000895834416 618839527 /nfs/dbraw/zinc/83/95/27/618839527.db2.gz KQUGSJYDNFYUIB-WAYWQWQTSA-N 0 3 300.446 3.169 20 30 DGEDHN C=CCOc1cccc(CN[C@@]23CCC[C@]2(OC)OCC3)c1 ZINC000896416352 618909857 /nfs/dbraw/zinc/90/98/57/618909857.db2.gz YWDVPGFYCCULIV-MSOLQXFVSA-N 0 3 303.402 3.027 20 30 DGEDHN N#Cc1c(F)cccc1CNCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896810801 618962806 /nfs/dbraw/zinc/96/28/06/618962806.db2.gz CERLZMCVXHBDNW-RISCZKNCSA-N 0 3 316.298 3.287 20 30 DGEDHN Cc1csc(C[C@@H]2CCN(Cc3cc(C#N)cs3)C2)n1 ZINC000897298713 619048210 /nfs/dbraw/zinc/04/82/10/619048210.db2.gz HDPCANZRRORYFP-LBPRGKRZSA-N 0 3 303.456 3.449 20 30 DGEDHN CCOc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)c(C)c1 ZINC000897599208 619165162 /nfs/dbraw/zinc/16/51/62/619165162.db2.gz FNZZMDJWBWGTIS-UHFFFAOYSA-N 0 3 315.413 3.231 20 30 DGEDHN Cc1ccc(CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1C#N ZINC000926962033 619252943 /nfs/dbraw/zinc/25/29/43/619252943.db2.gz LIBHYRDNWOLHQC-HNNXBMFYSA-N 0 3 321.424 3.419 20 30 DGEDHN C=C[C@H](CC)CC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899490859 619346357 /nfs/dbraw/zinc/34/63/57/619346357.db2.gz SUWOGKABQMKLDY-LLVKDONJSA-N 0 3 320.824 3.252 20 30 DGEDHN C#CCN(C(=S)Nc1c(C)cccc1C)C1CCN(C)CC1 ZINC000899613632 619361109 /nfs/dbraw/zinc/36/11/09/619361109.db2.gz ITBKXCNNPSARCR-UHFFFAOYSA-N 0 3 315.486 3.030 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902318043 619614434 /nfs/dbraw/zinc/61/44/34/619614434.db2.gz GFMVMZVJUFBJQK-NXHRZFHOSA-N 0 3 314.404 3.282 20 30 DGEDHN C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cc(C#N)ccn1 ZINC000902731950 619667594 /nfs/dbraw/zinc/66/75/94/619667594.db2.gz TVYYHMWARPMHDG-JXFKEZNVSA-N 0 3 320.440 3.441 20 30 DGEDHN C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902741292 619668627 /nfs/dbraw/zinc/66/86/27/619668627.db2.gz AEPDDWUCJXOGQG-LPHOPBHVSA-N 0 3 320.440 3.268 20 30 DGEDHN CC[C@@H](NCc1cccc(C(=O)NC)c1)c1cccc(C#N)c1 ZINC000902767129 619673144 /nfs/dbraw/zinc/67/31/44/619673144.db2.gz ZJHSORDBKPCMGQ-GOSISDBHSA-N 0 3 307.397 3.159 20 30 DGEDHN COc1cccc(O[C@H](C)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902821674 619679174 /nfs/dbraw/zinc/67/91/74/619679174.db2.gz KGOJVIMCSJQFMB-KGLIPLIRSA-N 0 3 311.385 3.080 20 30 DGEDHN CC[C@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1cccc(C#N)c1 ZINC000902866446 619684240 /nfs/dbraw/zinc/68/42/40/619684240.db2.gz GLXDYBTUZYYAES-ROUUACIJSA-N 0 3 313.445 3.246 20 30 DGEDHN CC[C@@H](N[C@@H](CC(=O)NC)c1ccccc1)c1cccc(C#N)c1 ZINC000902980263 619699150 /nfs/dbraw/zinc/69/91/50/619699150.db2.gz YWBGTJXKGRQISH-MOPGFXCFSA-N 0 3 321.424 3.476 20 30 DGEDHN CC[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1cccc(C#N)c1 ZINC000902992577 619700849 /nfs/dbraw/zinc/70/08/49/619700849.db2.gz BHRCHSMOJKXNAT-SCTDSRPQSA-N 0 3 308.381 3.094 20 30 DGEDHN C[C@@H](NCCc1cc(C(F)(F)F)ccn1)c1cc(C#N)ccn1 ZINC000903000699 619703332 /nfs/dbraw/zinc/70/33/32/619703332.db2.gz MBTSDMVKSGTLSA-LLVKDONJSA-N 0 3 320.318 3.260 20 30 DGEDHN C[C@H](NC[C@H]1CSc2ccccc2O1)c1cc(C#N)ccn1 ZINC000903035802 619705269 /nfs/dbraw/zinc/70/52/69/619705269.db2.gz VBNLPQUHEGIXQS-JSGCOSHPSA-N 0 3 311.410 3.157 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NCC(C)(C)C#N ZINC000903100177 619716426 /nfs/dbraw/zinc/71/64/26/619716426.db2.gz IVSHXRRWEXLXES-KGLIPLIRSA-N 0 3 309.454 3.352 20 30 DGEDHN C=CCC[C@@H](NC[C@H](C)S(C)(=O)=O)c1cccc(Cl)c1 ZINC000903128487 619722893 /nfs/dbraw/zinc/72/28/93/619722893.db2.gz ZMJMKTGJRUMXQR-SWLSCSKDSA-N 0 3 315.866 3.370 20 30 DGEDHN C[C@H](NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000903180337 619731411 /nfs/dbraw/zinc/73/14/11/619731411.db2.gz ZZZPOJQCQQPXBV-CHIMOYNISA-N 0 3 316.298 3.458 20 30 DGEDHN Cn1cnc2cc(CN[C@H]3CCc4ccc(C#N)cc43)ccc21 ZINC000903203848 619736298 /nfs/dbraw/zinc/73/62/98/619736298.db2.gz YKLFUSBBPUAAAZ-KRWDZBQOSA-N 0 3 302.381 3.222 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NC1(c2ccc3c(c2)OCCO3)CC1 ZINC000903295686 619752680 /nfs/dbraw/zinc/75/26/80/619752680.db2.gz YRGQKDDUJJHBJG-CYBMUJFWSA-N 0 3 300.402 3.365 20 30 DGEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C(C)(C)C ZINC000905083845 619968656 /nfs/dbraw/zinc/96/86/56/619968656.db2.gz GJAYGSIBPQQGPZ-LFTLCWSBSA-N 0 3 311.385 3.425 20 30 DGEDHN COCc1c(C)cc(C)c(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905084667 619968723 /nfs/dbraw/zinc/96/87/23/619968723.db2.gz KBPRSFYSPCXAHZ-FEZXJWFHSA-N 0 3 311.385 3.191 20 30 DGEDHN Cc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1OC(F)F ZINC000905083507 619968781 /nfs/dbraw/zinc/96/87/81/619968781.db2.gz DXNDAXQYNCVMEG-VKRGWIQLSA-N 0 3 305.284 3.029 20 30 DGEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(C(F)(F)F)c1 ZINC000905086684 619969152 /nfs/dbraw/zinc/96/91/52/619969152.db2.gz SMFFCILDAGLSBK-ZXWSLBRVSA-N 0 3 323.274 3.146 20 30 DGEDHN CC(C)Oc1cc(Cl)ccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000905426364 619998176 /nfs/dbraw/zinc/99/81/76/619998176.db2.gz TWYBLZXDZVNZCE-HNNXBMFYSA-N 0 3 322.836 3.272 20 30 DGEDHN CCC(=O)c1cccc(C#N)c1OCC[C@@H]1CCCCN1C ZINC000906507431 620101531 /nfs/dbraw/zinc/10/15/31/620101531.db2.gz CFFGXEWEAMXIQG-HNNXBMFYSA-N 0 3 300.402 3.404 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000912112985 620366142 /nfs/dbraw/zinc/36/61/42/620366142.db2.gz KGBMKTPVHLHAJT-ROUUACIJSA-N 0 3 316.445 3.432 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000912156056 620370696 /nfs/dbraw/zinc/37/06/96/620370696.db2.gz OTWIGJNTUJWDNN-GFCCVEGCSA-N 0 3 308.451 3.208 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000912249288 620376350 /nfs/dbraw/zinc/37/63/50/620376350.db2.gz MCROHFPOHMIUHB-ZDUSSCGKSA-N 0 3 318.314 3.144 20 30 DGEDHN N#CC[C@@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912291899 620377426 /nfs/dbraw/zinc/37/74/26/620377426.db2.gz LUOLOAUOQHCUBA-AWEZNQCLSA-N 0 3 310.401 3.057 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000912350420 620381515 /nfs/dbraw/zinc/38/15/15/620381515.db2.gz KCGRQTTVQONMIN-HNNXBMFYSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000912464353 620387626 /nfs/dbraw/zinc/38/76/26/620387626.db2.gz SKODRVQZSQNCEK-KBPBESRZSA-N 0 3 308.422 3.162 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000912474896 620390063 /nfs/dbraw/zinc/39/00/63/620390063.db2.gz YFMDNNWOUFDNCB-STQMWFEESA-N 0 3 300.324 3.090 20 30 DGEDHN CC(C)(C)C(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000753704481 620459894 /nfs/dbraw/zinc/45/98/94/620459894.db2.gz HXNGKEWAHPDHAY-UHFFFAOYSA-N 0 3 314.429 3.407 20 30 DGEDHN CCCNN=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000915965709 620611798 /nfs/dbraw/zinc/61/17/98/620611798.db2.gz YBPGTTYVMLWQMJ-UHFFFAOYSA-N 0 3 303.450 3.405 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@H](c1ccc(C)cc1)N(C)C ZINC000921261429 620845827 /nfs/dbraw/zinc/84/58/27/620845827.db2.gz OYXZDQZZDNINDO-XNHPLOEXSA-N 0 3 312.413 3.431 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1 ZINC000113329294 620904482 /nfs/dbraw/zinc/90/44/82/620904482.db2.gz BWKSKICGZJURSI-UHFFFAOYSA-N 0 3 317.392 3.174 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC000921561795 620909657 /nfs/dbraw/zinc/90/96/57/620909657.db2.gz LMAUARJRPDWUJY-OIISXLGYSA-N 0 3 301.434 3.086 20 30 DGEDHN COCCC(C)(C)NCc1cc(C#N)ccc1Br ZINC000921811191 620953116 /nfs/dbraw/zinc/95/31/16/620953116.db2.gz GXKFGHUSFCSERM-UHFFFAOYSA-N 0 3 311.223 3.225 20 30 DGEDHN COCCC1(CNCc2cc(C#N)ccc2Br)CC1 ZINC000921861238 620963194 /nfs/dbraw/zinc/96/31/94/620963194.db2.gz GODOPBUMGLWGIJ-UHFFFAOYSA-N 0 3 323.234 3.227 20 30 DGEDHN COc1ccc(CNCc2ccc3c(c2)CCCO3)cc1C#N ZINC000921917967 620968680 /nfs/dbraw/zinc/96/86/80/620968680.db2.gz VMFYMWNNRNXMPJ-UHFFFAOYSA-N 0 3 308.381 3.182 20 30 DGEDHN C[C@](O)(CNCc1csc(C#N)c1)c1ccccc1Cl ZINC000921998473 620978641 /nfs/dbraw/zinc/97/86/41/620978641.db2.gz AIZRGXBQDIDWIG-HNNXBMFYSA-N 0 3 306.818 3.270 20 30 DGEDHN N#CCCC[C@@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000922144134 620995496 /nfs/dbraw/zinc/99/54/96/620995496.db2.gz CHZFEEVVBBIZGW-QGZVFWFLSA-N 0 3 300.381 3.377 20 30 DGEDHN CC(F)(F)CCNCc1cc(C#N)ccc1Br ZINC000922153935 620996560 /nfs/dbraw/zinc/99/65/60/620996560.db2.gz XVYDEXAFHXWZMO-UHFFFAOYSA-N 0 3 303.150 3.456 20 30 DGEDHN CC[C@@H](CNCc1csc(C#N)c1)NC(=O)OC(C)(C)C ZINC000922158072 620997411 /nfs/dbraw/zinc/99/74/11/620997411.db2.gz ZFJMBWHOTPVCNW-LBPRGKRZSA-N 0 3 309.435 3.013 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCC[C@@H]2CCOC2)c1 ZINC000922167614 620999893 /nfs/dbraw/zinc/99/98/93/620999893.db2.gz BCJAYNZNLWOCHK-GFCCVEGCSA-N 0 3 323.234 3.227 20 30 DGEDHN CC[C@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000922191941 621004092 /nfs/dbraw/zinc/00/40/92/621004092.db2.gz GWAQDTNNFPBCCO-KBPBESRZSA-N 0 3 323.234 3.368 20 30 DGEDHN N#Cc1cc(CNC[C@@H]2CSc3ccccc3O2)cs1 ZINC000922209121 621005781 /nfs/dbraw/zinc/00/57/81/621005781.db2.gz ZEYJKPIHAFIQQW-GFCCVEGCSA-N 0 3 302.424 3.263 20 30 DGEDHN COC(=O)Cc1ccccc1CNCc1c(C)cc(C#N)cc1C ZINC000922227476 621008455 /nfs/dbraw/zinc/00/84/55/621008455.db2.gz WWQLNQBSWFPZHT-UHFFFAOYSA-N 0 3 322.408 3.180 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1c(Cl)n[nH]c1C1CC1)C2 ZINC000922320941 621023850 /nfs/dbraw/zinc/02/38/50/621023850.db2.gz QSYVDFWLISGSLW-CQSZACIVSA-N 0 3 312.804 3.069 20 30 DGEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617863 621024822 /nfs/dbraw/zinc/02/48/22/621024822.db2.gz RXRCPMPJAVFJRG-PBHICJAKSA-N 0 3 312.413 3.228 20 30 DGEDHN Cc1ccc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc1C#N ZINC000922760273 621095552 /nfs/dbraw/zinc/09/55/52/621095552.db2.gz RDYGASPSQNLPCG-FQEVSTJZSA-N 0 3 322.408 3.324 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCc2ccccc21)C(=O)NC1CCCCC1 ZINC000115903471 621157763 /nfs/dbraw/zinc/15/77/63/621157763.db2.gz LOQFBGOIQIUOBX-QAPCUYQASA-N 0 3 324.424 3.264 20 30 DGEDHN C#Cc1cccc(CNCc2c(C)[nH]c(C(=O)OCC)c2C)c1 ZINC000858174025 621161497 /nfs/dbraw/zinc/16/14/97/621161497.db2.gz MRQZRNPSAZURAK-UHFFFAOYSA-N 0 3 310.397 3.079 20 30 DGEDHN C#CC[C@H](CCOC)NCc1nc(-c2ccccc2)cs1 ZINC000858334946 621177520 /nfs/dbraw/zinc/17/75/20/621177520.db2.gz ZRSYWBOVYJKWGW-OAHLLOKOSA-N 0 3 300.427 3.328 20 30 DGEDHN Cc1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1C#N ZINC000859158498 621254896 /nfs/dbraw/zinc/25/48/96/621254896.db2.gz FJCHNQFMDNFEAK-IBGZPJMESA-N 0 3 314.429 3.027 20 30 DGEDHN N#CC1(C[C@@H](O)CN2CCc3cc(-c4ccccc4)oc3C2)CC1 ZINC000859197538 621259435 /nfs/dbraw/zinc/25/94/35/621259435.db2.gz JLEKDPGQBKAUAE-QGZVFWFLSA-N 0 3 322.408 3.359 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc2ccccc2n1 ZINC000838783734 621280045 /nfs/dbraw/zinc/28/00/45/621280045.db2.gz UBCWVJLMWGWGQZ-PMOUVXMZSA-N 0 3 304.349 3.026 20 30 DGEDHN CCC(C)(C)OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000838785167 621280704 /nfs/dbraw/zinc/28/07/04/621280704.db2.gz CSVOYRHOJHAXGV-CYBMUJFWSA-N 0 3 322.792 3.193 20 30 DGEDHN CC(C)(C)[S@@](=O)CCNCc1cccc(OCCCC#N)c1 ZINC000116920507 621318498 /nfs/dbraw/zinc/31/84/98/621318498.db2.gz DAAHNYSTZLTIMN-JOCHJYFZSA-N 0 3 322.474 3.006 20 30 DGEDHN CO[C@H]1C[C@@H](NCc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000839190506 621346547 /nfs/dbraw/zinc/34/65/47/621346547.db2.gz HAWQVVIZJKQQIK-CVEARBPZSA-N 0 3 320.820 3.290 20 30 DGEDHN CCC#C[C@@H](C)N1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860137472 621370208 /nfs/dbraw/zinc/37/02/08/621370208.db2.gz GMCZJIQTLUKSEN-BEFAXECRSA-N 0 3 301.430 3.243 20 30 DGEDHN N#CC(C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1nc2ccccc2[nH]1 ZINC000860450736 621406219 /nfs/dbraw/zinc/40/62/19/621406219.db2.gz YYMZLEYAYVGNEV-KJWYOANISA-N 0 3 313.360 3.325 20 30 DGEDHN N#CC(C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1nc2ccccc2[nH]1 ZINC000860450737 621406430 /nfs/dbraw/zinc/40/64/30/621406430.db2.gz YYMZLEYAYVGNEV-MJSCVDMRSA-N 0 3 313.360 3.325 20 30 DGEDHN Cc1ccc(CO[C@@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000860466150 621407949 /nfs/dbraw/zinc/40/79/49/621407949.db2.gz QBBPUFNWFUWIJX-YOEHRIQHSA-N 0 3 323.396 3.183 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860470552 621408560 /nfs/dbraw/zinc/40/85/60/621408560.db2.gz QKIBIEHXPSUYQV-WXYZLBAPSA-N 0 3 310.397 3.259 20 30 DGEDHN C=C[C@@H](CC(=O)OC[C@@H]1CCCN1CCOC)c1ccccc1 ZINC000861034816 621469558 /nfs/dbraw/zinc/46/95/58/621469558.db2.gz HWNBWQLHZCNVRW-WMZOPIPTSA-N 0 3 317.429 3.000 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000754678006 621523916 /nfs/dbraw/zinc/52/39/16/621523916.db2.gz YXILYQZNUADTJA-KBPBESRZSA-N 0 3 319.474 3.438 20 30 DGEDHN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000755602153 621580175 /nfs/dbraw/zinc/58/01/75/621580175.db2.gz LNZDOCULDYNRTB-GDBMZVCRSA-N 0 3 314.429 3.474 20 30 DGEDHN CC(C)(CN1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000862421651 621588180 /nfs/dbraw/zinc/58/81/80/621588180.db2.gz BUCJSDYXCOMMIP-UHFFFAOYSA-N 0 3 320.440 3.053 20 30 DGEDHN CCOc1cccc(CN2CCc3c(CC#N)cccc3C2)c1O ZINC000862542294 621598953 /nfs/dbraw/zinc/59/89/53/621598953.db2.gz KZQQXZBRSNQSFT-UHFFFAOYSA-N 0 3 322.408 3.415 20 30 DGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cccc(Br)c1 ZINC000755891598 621600705 /nfs/dbraw/zinc/60/07/05/621600705.db2.gz CNTFDQNFBVCFJD-JTQLQIEISA-N 0 3 308.223 3.331 20 30 DGEDHN CC[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000755996107 621609136 /nfs/dbraw/zinc/60/91/36/621609136.db2.gz PNEMAJKXWJJTDY-QWHCGFSZSA-N 0 3 313.426 3.204 20 30 DGEDHN CCCN(CCC)c1ccc(C=NNC2CCOCC2)cc1 ZINC000757591668 621726911 /nfs/dbraw/zinc/72/69/11/621726911.db2.gz FTBRREJIWCGGJW-UHFFFAOYSA-N 0 3 303.450 3.416 20 30 DGEDHN N#CC(C(=O)CCc1ccccn1)c1ccc2ccccc2n1 ZINC000759187068 621833747 /nfs/dbraw/zinc/83/37/47/621833747.db2.gz ISNVXKNHVNYYLK-INIZCTEOSA-N 0 3 301.349 3.439 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000759655588 621880064 /nfs/dbraw/zinc/88/00/64/621880064.db2.gz OYOWEWWEHGMWEP-IRXDYDNUSA-N 0 3 301.434 3.038 20 30 DGEDHN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)C(C#N)c1ccncn1 ZINC000760332559 621932549 /nfs/dbraw/zinc/93/25/49/621932549.db2.gz HCOKNCZODKSCEY-KQTLUZQSSA-N 0 3 301.390 3.027 20 30 DGEDHN Cc1ccc(C(C)C)c(OCC(=O)C(C#N)c2ccncn2)c1 ZINC000760360163 621935347 /nfs/dbraw/zinc/93/53/47/621935347.db2.gz WNWWZNKLPCHDKV-HNNXBMFYSA-N 0 3 309.369 3.164 20 30 DGEDHN COc1ccc(CNCc2cc(C#N)ccc2N(C)C)c(C)c1 ZINC000865493220 621935580 /nfs/dbraw/zinc/93/55/80/621935580.db2.gz AWFIRRCAHFWGKH-UHFFFAOYSA-N 0 3 309.413 3.231 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cncc1Cl ZINC000865554568 621950921 /nfs/dbraw/zinc/95/09/21/621950921.db2.gz XMHCCUGUWQFVCU-HZMBPMFUSA-N 0 3 301.217 3.459 20 30 DGEDHN C=CCC1(NCc2cccnc2Br)CCOCC1 ZINC000865626248 621965389 /nfs/dbraw/zinc/96/53/89/621965389.db2.gz LJCLBWDYLRLNIE-UHFFFAOYSA-N 0 3 311.223 3.059 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C3(C)OCCO3)cc2)cc1 ZINC000865668912 621974901 /nfs/dbraw/zinc/97/49/01/621974901.db2.gz SLZFAPHEOMMMKV-UHFFFAOYSA-N 0 3 307.393 3.177 20 30 DGEDHN Cc1cnc(CNC2CCN(c3ccccc3C#N)CC2)s1 ZINC000865696020 621979400 /nfs/dbraw/zinc/97/94/00/621979400.db2.gz SQBDYKXEBMBOGW-UHFFFAOYSA-N 0 3 312.442 3.082 20 30 DGEDHN C[C@H]1CC(N=Nc2nc(C(F)(F)F)nc3ccccc32)CN1C ZINC000761803657 622030141 /nfs/dbraw/zinc/03/01/41/622030141.db2.gz DULKQAQRKBGJAO-VIFPVBQESA-N 0 3 323.322 3.141 20 30 DGEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nc2ccccc2n1C ZINC000866618228 622148628 /nfs/dbraw/zinc/14/86/28/622148628.db2.gz XFUOSCNCHFXCPU-GUYCJALGSA-N 0 3 316.408 3.263 20 30 DGEDHN C=CCC1(C(=O)N2c3ccccc3[C@H](N)C2(C)C)CCOCC1 ZINC000867987169 622200615 /nfs/dbraw/zinc/20/06/15/622200615.db2.gz HXLBEOXYMXHPFW-INIZCTEOSA-N 0 3 314.429 3.185 20 30 DGEDHN CC(=NNCc1cccc(C)c1)c1cccc(N2CCOCC2)c1 ZINC000764715085 622215345 /nfs/dbraw/zinc/21/53/45/622215345.db2.gz NQLCMWOTKQTEPK-UHFFFAOYSA-N 0 3 323.440 3.345 20 30 DGEDHN C=CC[C@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccncc1 ZINC000766017395 622300588 /nfs/dbraw/zinc/30/05/88/622300588.db2.gz BEAAFCMQUIOPDE-KDOFPFPSSA-N 0 3 320.400 3.025 20 30 DGEDHN C=CC[C@H]1N(C(=S)NC2CCN(C)CC2)CCCC1(C)C ZINC000766526771 622336877 /nfs/dbraw/zinc/33/68/77/622336877.db2.gz YDCIFCJTSQZYGJ-OAHLLOKOSA-N 0 3 309.523 3.022 20 30 DGEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccc2ccccc2n1 ZINC000870122649 622435094 /nfs/dbraw/zinc/43/50/94/622435094.db2.gz MDRNPENKMFTCFH-BBWFWOEESA-N 0 3 320.392 3.474 20 30 DGEDHN C#CCOc1ccc(CN(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000768183794 622443495 /nfs/dbraw/zinc/44/34/95/622443495.db2.gz PSVAOSLTPVRPBK-UHFFFAOYSA-N 0 3 323.392 3.102 20 30 DGEDHN C#C[C@H](C)N(C)Cc1cc(Br)cc2cccnc21 ZINC000769961018 622582038 /nfs/dbraw/zinc/58/20/38/622582038.db2.gz LOUCYCQXHUVWCM-NSHDSACASA-N 0 3 303.203 3.451 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1sccc1C ZINC000129382577 625605556 /nfs/dbraw/zinc/60/55/56/625605556.db2.gz QDFHOFXGHBBUMQ-AWEZNQCLSA-N 0 3 320.458 3.395 20 30 DGEDHN N#CC(C(=O)Cc1ccco1)C(=O)Nc1cccc2ccccc21 ZINC000772646830 622922647 /nfs/dbraw/zinc/92/26/47/622922647.db2.gz ULWNPNSMZRQMOJ-MRXNPFEDSA-N 0 3 318.332 3.323 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000773081548 622980283 /nfs/dbraw/zinc/98/02/83/622980283.db2.gz DEPUORDAZSKQLU-HNNXBMFYSA-N 0 3 320.392 3.430 20 30 DGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000773544794 623044817 /nfs/dbraw/zinc/04/48/17/623044817.db2.gz STQGBVKIOCLPGA-KRWDZBQOSA-N 0 3 310.401 3.266 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773768983 623071628 /nfs/dbraw/zinc/07/16/28/623071628.db2.gz HMSRBENTRXEILI-WFASDCNBSA-N 0 3 318.442 3.428 20 30 DGEDHN Cc1cc(Br)cc2c1C(=N[N-]c1[nH+]ccn1C)CC2 ZINC000790301037 625631507 /nfs/dbraw/zinc/63/15/07/625631507.db2.gz DRLPALCKAJLAQR-UHFFFAOYSA-N 0 3 319.206 3.253 20 30 DGEDHN CC(C)CC[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000775143982 623234872 /nfs/dbraw/zinc/23/48/72/623234872.db2.gz GNOQMMBQPPQZSH-MRXNPFEDSA-N 0 3 321.852 3.437 20 30 DGEDHN C#CCCCN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000775184919 623239582 /nfs/dbraw/zinc/23/95/82/623239582.db2.gz OHVLBHRLGVQXLD-NSHDSACASA-N 0 3 324.218 3.284 20 30 DGEDHN C#CC[C@H](NCc1ccccc1CC(=O)OC)c1ccccc1 ZINC000775401185 623268749 /nfs/dbraw/zinc/26/87/49/623268749.db2.gz WEHYJVKZDZXXTJ-IBGZPJMESA-N 0 3 307.393 3.256 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000775412930 623271740 /nfs/dbraw/zinc/27/17/40/623271740.db2.gz SHDFZPPLNZQTRO-QLFBSQMISA-N 0 3 308.447 3.167 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874833391 623366150 /nfs/dbraw/zinc/36/61/50/623366150.db2.gz LCDQESYYUPKOHT-JKSUJKDBSA-N 0 3 316.470 3.273 20 30 DGEDHN CC(CN1CCCCCC1)N=Nc1nc(-c2ccccc2)no1 ZINC000777441208 623526114 /nfs/dbraw/zinc/52/61/14/623526114.db2.gz RYSKYSRLUWAWFZ-UHFFFAOYSA-N 0 3 313.405 3.400 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1ccccn1 ZINC000778151510 623616245 /nfs/dbraw/zinc/61/62/45/623616245.db2.gz PGUJBBGLHRXDIL-UHFFFAOYSA-N 0 3 300.789 3.079 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000778176757 623620185 /nfs/dbraw/zinc/62/01/85/623620185.db2.gz MPAQBYWMTMYVMM-KGLIPLIRSA-N 0 3 318.848 3.067 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)CCCO ZINC000778178138 623621178 /nfs/dbraw/zinc/62/11/78/623621178.db2.gz JLNMBXVJYIAUOK-UHFFFAOYSA-N 0 3 309.837 3.240 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000876570809 623647937 /nfs/dbraw/zinc/64/79/37/623647937.db2.gz OTLKBPOLAUAZCM-HNNXBMFYSA-N 0 3 306.837 3.085 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000876580966 623650231 /nfs/dbraw/zinc/65/02/31/623650231.db2.gz VUBBDTBBGWEJTI-SNVBAGLBSA-N 0 3 310.678 3.253 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000876584978 623651529 /nfs/dbraw/zinc/65/15/29/623651529.db2.gz VAMKNQSXZCHSJE-OAHLLOKOSA-N 0 3 308.809 3.416 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000876590658 623653405 /nfs/dbraw/zinc/65/34/05/623653405.db2.gz ZXWRXMUKHWIZJS-TZMCWYRMSA-N 0 3 310.825 3.121 20 30 DGEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)n1 ZINC000876661769 623673321 /nfs/dbraw/zinc/67/33/21/623673321.db2.gz HGFILWHYSJTYQQ-RTBURBONSA-N 0 3 307.397 3.041 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccc(Cl)s1 ZINC000876663301 623674451 /nfs/dbraw/zinc/67/44/51/623674451.db2.gz RSLBBAXYHMQXBT-BDAKNGLRSA-N 0 3 307.246 3.439 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000876669443 623675983 /nfs/dbraw/zinc/67/59/83/623675983.db2.gz MLSOYVRCLIWCPA-OAHLLOKOSA-N 0 3 310.800 3.034 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)Cc1ccc(Cl)cc1 ZINC000876672678 623677116 /nfs/dbraw/zinc/67/71/16/623677116.db2.gz XNJULJVHZOHFQU-ZIAGYGMSSA-N 0 3 315.244 3.247 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)cc1OCCC ZINC000876696954 623684640 /nfs/dbraw/zinc/68/46/40/623684640.db2.gz MQJFWMJKHTUIBE-LLVKDONJSA-N 0 3 300.761 3.023 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000876703836 623686865 /nfs/dbraw/zinc/68/68/65/623686865.db2.gz IVRWZXQLZMUYAW-GHMZBOCLSA-N 0 3 312.763 3.084 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000778995712 623717853 /nfs/dbraw/zinc/71/78/53/623717853.db2.gz CEYIDDAHOJBKMJ-QGZVFWFLSA-N 0 3 307.340 3.322 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000779188595 623739809 /nfs/dbraw/zinc/73/98/09/623739809.db2.gz VBWUVVGXFLCENZ-HXUWFJFHSA-N 0 3 313.441 3.480 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000876908713 623741784 /nfs/dbraw/zinc/74/17/84/623741784.db2.gz PWXBRWKUQIAJIO-CVEARBPZSA-N 0 3 308.853 3.087 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(cccc2C(C)C)C1 ZINC000876909521 623742123 /nfs/dbraw/zinc/74/21/23/623742123.db2.gz AISSWZALLWIQML-INIZCTEOSA-N 0 3 306.837 3.165 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000876910657 623742135 /nfs/dbraw/zinc/74/21/35/623742135.db2.gz IFXNMZXWSJSYFG-GHMZBOCLSA-N 0 3 324.774 3.037 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)cc1SC ZINC000876959530 623755023 /nfs/dbraw/zinc/75/50/23/623755023.db2.gz MDJGEYLGZCMNSH-VIFPVBQESA-N 0 3 305.230 3.470 20 30 DGEDHN CC1(C)C[C@@H](NN=C2CCCC[C@@H]2N2CCCCC2)CCO1 ZINC000780240326 623889472 /nfs/dbraw/zinc/88/94/72/623889472.db2.gz BLMJZJXKXJAWPA-RDJZCZTQSA-N 0 3 307.482 3.318 20 30 DGEDHN N#Cc1ccccc1N1CCN(C[C@@H]2CCc3ccccc32)CC1 ZINC000780292009 623906609 /nfs/dbraw/zinc/90/66/09/623906609.db2.gz MEGUJFPJENWRLX-IBGZPJMESA-N 0 3 317.436 3.410 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000780364731 623917135 /nfs/dbraw/zinc/91/71/35/623917135.db2.gz NFIOZNZHLQDSNF-LJQANCHMSA-N 0 3 312.457 3.351 20 30 DGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)c1cccnc1 ZINC000877592235 623954545 /nfs/dbraw/zinc/95/45/45/623954545.db2.gz MTWKBFRJQHUDKP-UHFFFAOYSA-N 0 3 300.793 3.069 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000780634720 623961581 /nfs/dbraw/zinc/96/15/81/623961581.db2.gz RFEXQBBILAURGG-HKUYNNGSSA-N 0 3 312.457 3.349 20 30 DGEDHN C[C@@]1(CCNCc2cc(C#N)cnc2Cl)C[C@@]1(F)Cl ZINC000877611373 623962309 /nfs/dbraw/zinc/96/23/09/623962309.db2.gz PZRLJZGDVPHXFD-OLZOCXBDSA-N 0 3 302.180 3.401 20 30 DGEDHN COC(=O)c1cccc2c(CN3CCC[C@@H](CC#N)C3)ccnc12 ZINC000877622479 623965986 /nfs/dbraw/zinc/96/59/86/623965986.db2.gz OHJPJPVJSDFJDD-AWEZNQCLSA-N 0 3 323.396 3.147 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2CC1(CN1CCC[C@H](CC#N)C1)C2 ZINC000877622859 623967320 /nfs/dbraw/zinc/96/73/20/623967320.db2.gz UZKXQPUPBFKODA-KSTDHSDQSA-N 0 3 319.449 3.012 20 30 DGEDHN CCOC(=O)N1CCC(C)(CNCC2(C#N)CCCCC2)CC1 ZINC000877633875 623971796 /nfs/dbraw/zinc/97/17/96/623971796.db2.gz UFBJSGUJCHXTLA-UHFFFAOYSA-N 0 3 321.465 3.309 20 30 DGEDHN CC1(C)CCC[C@](O)(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877668617 623984922 /nfs/dbraw/zinc/98/49/22/623984922.db2.gz LLWCSUZQOIUFCO-QGZVFWFLSA-N 0 3 321.852 3.418 20 30 DGEDHN COc1cc(CN2CC[C@H](c3nc(C)cs3)C2)ccc1C#N ZINC000877813242 624044293 /nfs/dbraw/zinc/04/42/93/624044293.db2.gz FQUOALYJTHMREB-HNNXBMFYSA-N 0 3 313.426 3.321 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](C(C)(C)O)C2)cc1Cl ZINC000877835831 624063368 /nfs/dbraw/zinc/06/33/68/624063368.db2.gz XZGOEGSEAKZWPC-CQSZACIVSA-N 0 3 309.837 3.498 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000877917252 624091739 /nfs/dbraw/zinc/09/17/39/624091739.db2.gz RNNTYVSOZFTNSC-PMACEKPBSA-N 0 3 311.425 3.159 20 30 DGEDHN CSC[C@H]1CCCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878199455 624213280 /nfs/dbraw/zinc/21/32/80/624213280.db2.gz AOLSJKLSAGCJBP-QZTJIDSGSA-N 0 3 316.470 3.254 20 30 DGEDHN C=CC[C@H](C)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000878491586 624290128 /nfs/dbraw/zinc/29/01/28/624290128.db2.gz OWXGBUNOOKDNRD-JTQLQIEISA-N 0 3 320.384 3.034 20 30 DGEDHN CN(CC1(CC#N)CC1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000878680644 624338449 /nfs/dbraw/zinc/33/84/49/624338449.db2.gz XKPKYPDLTXKMRL-UHFFFAOYSA-N 0 3 307.438 3.059 20 30 DGEDHN COc1cccc([C@H](O)C2CCN(CC3(CC#N)CC3)CC2)c1 ZINC000879064683 624418246 /nfs/dbraw/zinc/41/82/46/624418246.db2.gz MFVMJTVZFKCZTO-GOSISDBHSA-N 0 3 314.429 3.134 20 30 DGEDHN COc1cccc([C@@H](O)C2CCN(CC3(CC#N)CC3)CC2)c1 ZINC000879064684 624418425 /nfs/dbraw/zinc/41/84/25/624418425.db2.gz MFVMJTVZFKCZTO-SFHVURJKSA-N 0 3 314.429 3.134 20 30 DGEDHN COC(=O)C[C@](C)(NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000879441936 624549345 /nfs/dbraw/zinc/54/93/45/624549345.db2.gz JGULMUVSRZIBDP-KRWDZBQOSA-N 0 3 305.805 3.013 20 30 DGEDHN N#CCSCCCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550227 624585888 /nfs/dbraw/zinc/58/58/88/624585888.db2.gz JKRNKXYPQFVCSI-UHFFFAOYSA-N 0 3 320.462 3.163 20 30 DGEDHN COc1ccc(C#N)cc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000879735295 624657742 /nfs/dbraw/zinc/65/77/42/624657742.db2.gz WIVJUNLQOHCWCH-KRWDZBQOSA-N 0 3 300.402 3.148 20 30 DGEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C#N ZINC000785617858 624702395 /nfs/dbraw/zinc/70/23/95/624702395.db2.gz XMIHWWQVIJKWMK-GOSISDBHSA-N 0 3 303.365 3.216 20 30 DGEDHN O=C(OCC#Cc1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000785714628 624717260 /nfs/dbraw/zinc/71/72/60/624717260.db2.gz MHYCCFBWDUTXAR-UHFFFAOYSA-N 0 3 319.404 3.491 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2nc(C)cs2)C1 ZINC000880008300 624751345 /nfs/dbraw/zinc/75/13/45/624751345.db2.gz BQAQJQDQFSZXOF-OAHLLOKOSA-N 0 3 313.426 3.321 20 30 DGEDHN C=C(C)CN1CCC(Cc2nc(C(=O)OCC)cs2)CC1 ZINC000880264290 624876626 /nfs/dbraw/zinc/87/66/26/624876626.db2.gz SFCDKIBKOATYAZ-UHFFFAOYSA-N 0 3 308.447 3.150 20 30 DGEDHN C[C@@H]1CCC[C@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787068713 624975740 /nfs/dbraw/zinc/97/57/40/624975740.db2.gz ZIGMPIBMIZQXIZ-PVAVHDDUSA-N 0 3 312.413 3.180 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073865 624976608 /nfs/dbraw/zinc/97/66/08/624976608.db2.gz NXMXAGNLRJEJIE-SQWLQELKSA-N 0 3 300.402 3.036 20 30 DGEDHN COc1ccc(CN(CCO)CCC2(C#N)CCCCC2)cc1 ZINC000880572366 624980208 /nfs/dbraw/zinc/98/02/08/624980208.db2.gz OVAJVDJKILKOSN-UHFFFAOYSA-N 0 3 316.445 3.354 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C3CC3)cc2F)CC1 ZINC000880744926 625030404 /nfs/dbraw/zinc/03/04/04/625030404.db2.gz XXXBYSXOXDKSGE-UHFFFAOYSA-N 0 3 317.408 3.475 20 30 DGEDHN COc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1C#N ZINC000787769524 625048066 /nfs/dbraw/zinc/04/80/66/625048066.db2.gz HEUCYQAVIKJPIG-IBGZPJMESA-N 0 3 324.424 3.416 20 30 DGEDHN Cc1ccccc1CCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000791054656 625745650 /nfs/dbraw/zinc/74/56/50/625745650.db2.gz WYBQBQNCGAGTMV-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C=CCC[C@H](CO)NCc1cccc(F)c1OC(F)(F)F ZINC000883138746 625940748 /nfs/dbraw/zinc/94/07/48/625940748.db2.gz NQYPKUYBIRKDCP-LLVKDONJSA-N 0 3 307.287 3.141 20 30 DGEDHN CC(C)Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000796792891 626083874 /nfs/dbraw/zinc/08/38/74/626083874.db2.gz MFHAXZFJWKCVCY-YOEHRIQHSA-N 0 3 314.429 3.222 20 30 DGEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)cc(Cl)n1 ZINC000797600280 626158292 /nfs/dbraw/zinc/15/82/92/626158292.db2.gz ORSBVFHSMDMWRG-UHFFFAOYSA-N 0 3 301.777 3.236 20 30 DGEDHN C#C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(CC)CC)C(C)C ZINC000798512052 626223070 /nfs/dbraw/zinc/22/30/70/626223070.db2.gz WINANNZNMZTAIO-HOTGVXAUSA-N 0 3 321.490 3.088 20 30 DGEDHN N#CC(C(=O)CCCC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000798814552 626247704 /nfs/dbraw/zinc/24/77/04/626247704.db2.gz WYRFBAWXFBGKAU-CQSZACIVSA-N 0 3 311.385 3.336 20 30 DGEDHN Cc1ccc(NC(=O)c2ccc(C)c(C#N)c2)c(CN(C)C)c1 ZINC000799336351 626291611 /nfs/dbraw/zinc/29/16/11/626291611.db2.gz SHHMWAGFRFOMCY-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000800408819 626357113 /nfs/dbraw/zinc/35/71/13/626357113.db2.gz FLWJXORPSIVUAN-WCQYABFASA-N 0 3 322.355 3.116 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000800408927 626357138 /nfs/dbraw/zinc/35/71/38/626357138.db2.gz HGDJHKWLXCWIMR-RISCZKNCSA-N 0 3 322.355 3.116 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800485006 626364148 /nfs/dbraw/zinc/36/41/48/626364148.db2.gz IXVVSPNGVWPONZ-DLBZAZTESA-N 0 3 314.429 3.002 20 30 DGEDHN COc1cccc(O)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000800895377 626383212 /nfs/dbraw/zinc/38/32/12/626383212.db2.gz DJZSHVUUAVKBDA-UHFFFAOYSA-N 0 3 302.761 3.216 20 30 DGEDHN C[C@H](C#N)OCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000801911840 626424988 /nfs/dbraw/zinc/42/49/88/626424988.db2.gz DEJGUSWKAKWEGK-CYBMUJFWSA-N 0 3 315.442 3.404 20 30 DGEDHN Cc1ccc(C)c(OC2CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000801914958 626425429 /nfs/dbraw/zinc/42/54/29/626425429.db2.gz GLSPYRUABPUOSP-MRXNPFEDSA-N 0 3 302.418 3.075 20 30 DGEDHN Cc1cc(Br)ccc1CN(C)CCO[C@@H](C)C#N ZINC000801951389 626427569 /nfs/dbraw/zinc/42/75/69/626427569.db2.gz UUFCKUKIJBESQP-LBPRGKRZSA-N 0 3 311.223 3.118 20 30 DGEDHN C=CCCC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000883202441 626606810 /nfs/dbraw/zinc/60/68/10/626606810.db2.gz BIWPPHROUOLJAU-NVXWUHKLSA-N 0 3 309.475 3.497 20 30 DGEDHN C=CCCC[C@@H](NCCS(=O)(=O)C1CC1)c1ccccc1 ZINC000883229572 626616869 /nfs/dbraw/zinc/61/68/69/626616869.db2.gz MROPFHGSCHRPCD-QGZVFWFLSA-N 0 3 307.459 3.251 20 30 DGEDHN C=CCCC[C@H](NCc1n[nH]c(COC)n1)c1ccccc1 ZINC000883235047 626618233 /nfs/dbraw/zinc/61/82/33/626618233.db2.gz SUELGDNBVFTHLR-HNNXBMFYSA-N 0 3 300.406 3.138 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000883275627 626632906 /nfs/dbraw/zinc/63/29/06/626632906.db2.gz WVGNWPZVXZAXQQ-NILFDRSVSA-N 0 3 323.234 3.154 20 30 DGEDHN C[C@@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000883358520 626659844 /nfs/dbraw/zinc/65/98/44/626659844.db2.gz NAAQUUDMJBNNDX-LDWIPMOCSA-N 0 3 319.220 3.174 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CC3(CCOCC3)Oc3ccccc32)C1 ZINC000883386039 626668681 /nfs/dbraw/zinc/66/86/81/626668681.db2.gz YGONMXHBUVUHBN-INMHGKMJSA-N 0 3 312.413 3.341 20 30 DGEDHN CCN1CCN(c2ccc(Nc3nc(C)ccc3C#N)cc2)CC1 ZINC000804326805 626670078 /nfs/dbraw/zinc/67/00/78/626670078.db2.gz BKRTXSYROHUGPT-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000883390174 626670592 /nfs/dbraw/zinc/67/05/92/626670592.db2.gz HJAJWZRWLXKFBZ-PWSUYJOCSA-N 0 3 303.324 3.405 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1cc(Br)ccc1F ZINC000883401135 626673761 /nfs/dbraw/zinc/67/37/61/626673761.db2.gz DHTZAYXTXGUSKY-LBPRGKRZSA-N 0 3 302.187 3.005 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1cc(Br)ccc1F ZINC000883401134 626673813 /nfs/dbraw/zinc/67/38/13/626673813.db2.gz DHTZAYXTXGUSKY-GFCCVEGCSA-N 0 3 302.187 3.005 20 30 DGEDHN CC(C)CCN(CCC(C)C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884045885 626809714 /nfs/dbraw/zinc/80/97/14/626809714.db2.gz LEHJYWQNKPUHLI-TVRKMHQQSA-N 0 3 319.493 3.047 20 30 DGEDHN CCCCCCCCCCNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884071066 626829141 /nfs/dbraw/zinc/82/91/41/626829141.db2.gz HPENFVAAVBPNIT-TVRKMHQQSA-N 0 3 319.493 3.383 20 30 DGEDHN C[C@H](CC#N)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808497246 626833129 /nfs/dbraw/zinc/83/31/29/626833129.db2.gz UWSOXIHXNDUPBW-RBSFLKMASA-N 0 3 309.454 3.209 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC000808980119 626873042 /nfs/dbraw/zinc/87/30/42/626873042.db2.gz UIVYJSVUFAZKNJ-CYBMUJFWSA-N 0 3 324.833 3.056 20 30 DGEDHN CC[C@H](C)c1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884429702 626879734 /nfs/dbraw/zinc/87/97/34/626879734.db2.gz RLRIRONUOHKZGE-NOFHKNGASA-N 0 3 311.429 3.278 20 30 DGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000809609155 626925626 /nfs/dbraw/zinc/92/56/26/626925626.db2.gz FGVLVIHFPZZUSV-HNNXBMFYSA-N 0 3 320.392 3.475 20 30 DGEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000809683952 626935531 /nfs/dbraw/zinc/93/55/31/626935531.db2.gz SPXUCJBHDUWWJK-HNNXBMFYSA-N 0 3 302.381 3.046 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@]1(C)CCCO ZINC000809757454 626947677 /nfs/dbraw/zinc/94/76/77/626947677.db2.gz MPPDYJKXGLPVQJ-SFHVURJKSA-N 0 3 321.848 3.479 20 30 DGEDHN C#C[C@H](NCc1cc(OC)c(OCC)c(OC)c1)C(C)(C)C ZINC000809781157 626951747 /nfs/dbraw/zinc/95/17/47/626951747.db2.gz IDAFYLBIOVECFP-INIZCTEOSA-N 0 3 305.418 3.240 20 30 DGEDHN C=CCCCCC[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810070728 626973913 /nfs/dbraw/zinc/97/39/13/626973913.db2.gz WISWKUQWRPAUCV-CYBMUJFWSA-N 0 3 306.372 3.123 20 30 DGEDHN C=CCCCCC[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810070728 626973916 /nfs/dbraw/zinc/97/39/16/626973916.db2.gz WISWKUQWRPAUCV-CYBMUJFWSA-N 0 3 306.372 3.123 20 30 DGEDHN N#CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810225009 626989887 /nfs/dbraw/zinc/98/98/87/626989887.db2.gz QCHHYBMQJJDOJK-IBGZPJMESA-N 0 3 303.365 3.238 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810532309 627012129 /nfs/dbraw/zinc/01/21/29/627012129.db2.gz RVNQEBKTRKOQPT-AWEZNQCLSA-N 0 3 302.349 3.036 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)CN3[C@H](C)CC[C@@H]3C)cc21 ZINC000885574073 627027724 /nfs/dbraw/zinc/02/77/24/627027724.db2.gz XXJYFSCDBKHKNV-OKILXGFUSA-N 0 3 312.417 3.034 20 30 DGEDHN C#CC[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000810750664 627044994 /nfs/dbraw/zinc/04/49/94/627044994.db2.gz NFYVGSYKELFRRD-VQIMIIECSA-N 0 3 316.420 3.080 20 30 DGEDHN C=C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000136879756 627104119 /nfs/dbraw/zinc/10/41/19/627104119.db2.gz UQSMBLLDTBQOJI-RHSMWYFYSA-N 0 3 310.397 3.114 20 30 DGEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886112423 627107383 /nfs/dbraw/zinc/10/73/83/627107383.db2.gz XTCGZYVKIXLDMW-XJKSGUPXSA-N 0 3 308.372 3.450 20 30 DGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000886129534 627109728 /nfs/dbraw/zinc/10/97/28/627109728.db2.gz IAJHEEWZYFYMRZ-STQMWFEESA-N 0 3 315.442 3.392 20 30 DGEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000886176824 627117787 /nfs/dbraw/zinc/11/77/87/627117787.db2.gz LXDYMHWEEGIDGS-HZPDHXFCSA-N 0 3 322.836 3.062 20 30 DGEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2c(CC)cccc2CC)C1 ZINC000886356392 627142018 /nfs/dbraw/zinc/14/20/18/627142018.db2.gz YVVAWUJYPYSNMF-CVEARBPZSA-N 0 3 312.457 3.484 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000886366143 627143689 /nfs/dbraw/zinc/14/36/89/627143689.db2.gz XZYOWXRSSFERPS-MELADBBJSA-N 0 3 301.352 3.269 20 30 DGEDHN C#CCC1(NCc2ccc(CSC(F)F)o2)CCOCC1 ZINC000886381921 627145179 /nfs/dbraw/zinc/14/51/79/627145179.db2.gz YEBAJLXERVVAJE-UHFFFAOYSA-N 0 3 315.385 3.398 20 30 DGEDHN Cc1ccccc1[C@H](CO)N(C)Cc1ccc(OCC#N)cc1 ZINC000886434014 627148128 /nfs/dbraw/zinc/14/81/28/627148128.db2.gz ZQDRCIXWARRMOL-IBGZPJMESA-N 0 3 310.397 3.063 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)c(C)c1Cl)C1CCN(C)CC1 ZINC000886578568 627166607 /nfs/dbraw/zinc/16/66/07/627166607.db2.gz CHQXLVYFXSYHMT-UHFFFAOYSA-N 0 3 318.848 3.126 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cnn(C)c1 ZINC000886606674 627171658 /nfs/dbraw/zinc/17/16/58/627171658.db2.gz DDEAPHWWXKMWCL-MRXNPFEDSA-N 0 3 302.809 3.432 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1CCC)c1ccc(Cl)cc1 ZINC000811947693 627339831 /nfs/dbraw/zinc/33/98/31/627339831.db2.gz MJVNIKGRWREVQX-HOTGVXAUSA-N 0 3 304.821 3.005 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C[C@H]2CCC[C@H](C)C2)OC)CC1 ZINC000812032549 627348378 /nfs/dbraw/zinc/34/83/78/627348378.db2.gz NINJHNDKRFWWLG-HOTGVXAUSA-N 0 3 323.481 3.036 20 30 DGEDHN C[C@@H]1C[C@H](C)[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813215307 627468045 /nfs/dbraw/zinc/46/80/45/627468045.db2.gz WMXODYFYDYQACM-XHEDZOQISA-N 0 3 312.291 3.090 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccccc1C)C1CCCC1 ZINC000813867641 627517319 /nfs/dbraw/zinc/51/73/19/627517319.db2.gz SOKGGVOUOHDZKW-GOSISDBHSA-N 0 3 321.486 3.417 20 30 DGEDHN O=[N+]([O-])c1ccccc1NNC1=C[C@@H](C(F)(F)F)OCC1 ZINC000814685928 627583484 /nfs/dbraw/zinc/58/34/84/627583484.db2.gz QYZPZGWDVCSKCR-NSHDSACASA-N 0 3 303.240 3.104 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000815059872 627620602 /nfs/dbraw/zinc/62/06/02/627620602.db2.gz IWBDOSHSGMMNEZ-KRWDZBQOSA-N 0 3 317.454 3.486 20 30 DGEDHN N#CCCOCCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000815063898 627621398 /nfs/dbraw/zinc/62/13/98/627621398.db2.gz SVKXQNKRSWLYEI-CQSZACIVSA-N 0 3 315.442 3.406 20 30 DGEDHN C#CCNC(=O)CCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000815103861 627626946 /nfs/dbraw/zinc/62/69/46/627626946.db2.gz YSKYTPXSJIVYAM-INIZCTEOSA-N 0 3 304.821 3.007 20 30 DGEDHN C=CCC(F)(F)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000815132911 627634176 /nfs/dbraw/zinc/63/41/76/627634176.db2.gz OEBCNXYJFTWHCX-UHFFFAOYSA-N 0 3 324.415 3.221 20 30 DGEDHN CCCN1CC[C@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2[O-])C1 ZINC000924754022 627676653 /nfs/dbraw/zinc/67/66/53/627676653.db2.gz RVAVUIRYZZUGSN-PBHICJAKSA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@H]1[C@H](OC(=O)c2c[nH]c(C#N)c2)CCCN1Cc1ccccc1 ZINC000816471131 627794564 /nfs/dbraw/zinc/79/45/64/627794564.db2.gz XZRPOOMRGOZHEG-KBXCAEBGSA-N 0 3 323.396 3.096 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000926879895 627968601 /nfs/dbraw/zinc/96/86/01/627968601.db2.gz MJBYZZRCFGTZFL-LSDHHAIUSA-N 0 3 321.465 3.353 20 30 DGEDHN CCCCCCCCCC(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000818035375 627989307 /nfs/dbraw/zinc/98/93/07/627989307.db2.gz VETGGXIAOJYCBI-ZWKOTPCHSA-N 0 3 324.509 3.449 20 30 DGEDHN CC(=O)N1CC[C@H](NCc2ccc(C)c(C#N)c2)c2ccccc21 ZINC000926960661 627989611 /nfs/dbraw/zinc/98/96/11/627989611.db2.gz GCDSAXYBOGHGJD-IBGZPJMESA-N 0 3 319.408 3.454 20 30 DGEDHN C[C@@H](NC[C@]1(c2ccccc2)CCCO1)c1cc(C#N)ccn1 ZINC000927122116 628021428 /nfs/dbraw/zinc/02/14/28/628021428.db2.gz ZLWHAGFGDZWUSA-BEFAXECRSA-N 0 3 307.397 3.310 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000818603350 628040934 /nfs/dbraw/zinc/04/09/34/628040934.db2.gz ZGWUMGAGJHZQOS-PMACEKPBSA-N 0 3 320.436 3.015 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000818609016 628041901 /nfs/dbraw/zinc/04/19/01/628041901.db2.gz GKMPOAQPIDDIRO-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1coc2ccc(C(C)C)cc21 ZINC000818612243 628042819 /nfs/dbraw/zinc/04/28/19/628042819.db2.gz PONIRDHYHJOUML-UHFFFAOYSA-N 0 3 312.413 3.241 20 30 DGEDHN CCc1cccc2c1OCC[C@@H]2NC[C@H](O)c1ccc(C#N)cc1 ZINC000818998426 628075608 /nfs/dbraw/zinc/07/56/08/628075608.db2.gz RMFGTUATMZQNMU-OALUTQOASA-N 0 3 322.408 3.267 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929165446 628218717 /nfs/dbraw/zinc/21/87/17/628218717.db2.gz WOEBLNNEAYBFLU-CABCVRRESA-N 0 3 312.335 3.490 20 30 DGEDHN N#CC(C(=O)C=C[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177660 628343385 /nfs/dbraw/zinc/34/33/85/628343385.db2.gz HZZJNXONVILXLM-BKGLOODYSA-N 0 3 310.275 3.012 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC(=O)Cc1ccccc1 ZINC000823617009 628580011 /nfs/dbraw/zinc/58/00/11/628580011.db2.gz FCELBFVUWUGDHJ-INIZCTEOSA-N 0 3 322.408 3.337 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823894359 628607919 /nfs/dbraw/zinc/60/79/19/628607919.db2.gz OBTOYAMDYFBMLO-RYUDHWBXSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823894359 628607922 /nfs/dbraw/zinc/60/79/22/628607922.db2.gz OBTOYAMDYFBMLO-RYUDHWBXSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823894627 628608099 /nfs/dbraw/zinc/60/80/99/628608099.db2.gz VEHMGFZRILKCQG-VXGBXAGGSA-N 0 3 303.385 3.401 20 30 DGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823894627 628608101 /nfs/dbraw/zinc/60/81/01/628608101.db2.gz VEHMGFZRILKCQG-VXGBXAGGSA-N 0 3 303.385 3.401 20 30 DGEDHN C#CCOc1ccc(C[NH2+]Cc2ccc(OCC)cc2[O-])cc1 ZINC000824926792 628707833 /nfs/dbraw/zinc/70/78/33/628707833.db2.gz UNBHWGAVWCUIFO-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN CCOCOc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000825232011 628740585 /nfs/dbraw/zinc/74/05/85/628740585.db2.gz KHKSNXNJSBMIIB-UHFFFAOYSA-N 0 3 314.360 3.360 20 30 DGEDHN CCCCCCCCc1nnc(NC(=O)C2(N)CCC2)s1 ZINC000826677853 628871951 /nfs/dbraw/zinc/87/19/51/628871951.db2.gz PYAYNSCCKGPDJX-UHFFFAOYSA-N 0 3 310.467 3.261 20 30 DGEDHN C#C[C@H](NCc1cc2ccccc2cc1OC)C1CCOCC1 ZINC000827555148 628970124 /nfs/dbraw/zinc/97/01/24/628970124.db2.gz OUPQOVZLOHHXJR-IBGZPJMESA-N 0 3 309.409 3.366 20 30 DGEDHN C#C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)C1CCOCC1 ZINC000827565108 628971280 /nfs/dbraw/zinc/97/12/80/628971280.db2.gz JDLZTLAGSSJZCA-OAHLLOKOSA-N 0 3 315.310 3.363 20 30 DGEDHN C#C[C@H](NCc1ccc(OC)c(OCCC)c1)C1CCOCC1 ZINC000827569909 628971899 /nfs/dbraw/zinc/97/18/99/628971899.db2.gz IBBSCIGRTYHYNF-KRWDZBQOSA-N 0 3 317.429 3.002 20 30 DGEDHN CCc1ccc2nccc(N3CCC(C#N)(C(=O)OC)CC3)c2c1 ZINC000828975415 629115913 /nfs/dbraw/zinc/11/59/13/629115913.db2.gz PZMSUJWEILFMKW-UHFFFAOYSA-N 0 3 323.396 3.080 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000829774200 629189915 /nfs/dbraw/zinc/18/99/15/629189915.db2.gz NENGARJKHBQBIC-CVEARBPZSA-N 0 3 316.420 3.080 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000829769162 629190303 /nfs/dbraw/zinc/19/03/03/629190303.db2.gz PUYBPTHTVXPBDR-GOSISDBHSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000829779392 629191345 /nfs/dbraw/zinc/19/13/45/629191345.db2.gz STHODKXRJOJYNS-GDBMZVCRSA-N 0 3 318.848 3.080 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000829779393 629191569 /nfs/dbraw/zinc/19/15/69/629191569.db2.gz STHODKXRJOJYNS-GOEBONIOSA-N 0 3 318.848 3.080 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000829810351 629196636 /nfs/dbraw/zinc/19/66/36/629196636.db2.gz OOMKZHVXSBFPAF-CQSZACIVSA-N 0 3 314.820 3.156 20 30 DGEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000829815281 629197027 /nfs/dbraw/zinc/19/70/27/629197027.db2.gz IUSCNVOIQQGHSI-HNNXBMFYSA-N 0 3 307.397 3.085 20 30 DGEDHN C#CC[C@H]1CCC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000829815281 629197029 /nfs/dbraw/zinc/19/70/29/629197029.db2.gz IUSCNVOIQQGHSI-HNNXBMFYSA-N 0 3 307.397 3.085 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000829815717 629197552 /nfs/dbraw/zinc/19/75/52/629197552.db2.gz RWPTWHYSPXKKPU-ZDUSSCGKSA-N 0 3 305.805 3.362 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000831830602 629416881 /nfs/dbraw/zinc/41/68/81/629416881.db2.gz XSXRSKRIHVNMCN-VXGBXAGGSA-N 0 3 300.349 3.036 20 30 DGEDHN CC[C@H]1CN(CC)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000831964720 629431857 /nfs/dbraw/zinc/43/18/57/629431857.db2.gz GIQLUEIILBYIAL-INIZCTEOSA-N 0 3 321.852 3.158 20 30 DGEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000835062918 629841673 /nfs/dbraw/zinc/84/16/73/629841673.db2.gz STHORCINDPBFNH-RDJZCZTQSA-N 0 3 324.380 3.302 20 30 DGEDHN CN(C)Cc1cccc(C(=O)OCC2(C#N)CCCCC2)c1 ZINC000835281810 629896765 /nfs/dbraw/zinc/89/67/65/629896765.db2.gz GVWRLHPMXCTQQW-UHFFFAOYSA-N 0 3 300.402 3.379 20 30 DGEDHN CC(C)(C(=O)C(C#N)c1cnc2ccccc2n1)C(C)(F)F ZINC000835348484 629912065 /nfs/dbraw/zinc/91/20/65/629912065.db2.gz ODDJPYAYXVIAAL-SNVBAGLBSA-N 0 3 303.312 3.487 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)cc1Cl ZINC000836218007 630084688 /nfs/dbraw/zinc/08/46/88/630084688.db2.gz VLZSYJLQIPVJNH-UHFFFAOYSA-N 0 3 314.216 3.070 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000837357960 630247051 /nfs/dbraw/zinc/24/70/51/630247051.db2.gz KWWDTWDSXIGYKT-VQIMIIECSA-N 0 3 310.441 3.084 20 30 DGEDHN Cc1ccc(C)c(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000102816659 630262813 /nfs/dbraw/zinc/26/28/13/630262813.db2.gz WSODASHITCVBBS-QGZVFWFLSA-N 0 3 312.413 3.004 20 30 DGEDHN CCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000837531112 630271339 /nfs/dbraw/zinc/27/13/39/630271339.db2.gz LNGQYYHMQJEERE-GOSISDBHSA-N 0 3 312.457 3.159 20 30 DGEDHN C#Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000844310876 630717733 /nfs/dbraw/zinc/71/77/33/630717733.db2.gz VNADXZZEIZLLKX-KBPBESRZSA-N 0 3 311.303 3.354 20 30 DGEDHN CO[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000844405011 630725025 /nfs/dbraw/zinc/72/50/25/630725025.db2.gz HUMPATCZTILDAF-GDBMZVCRSA-N 0 3 308.809 3.290 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845437455 631175104 /nfs/dbraw/zinc/17/51/04/631175104.db2.gz WRKMBLDEGZZGLB-LXTVHRRPSA-N 0 3 305.381 3.352 20 30 DGEDHN C=C[C@H](C)ONC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000845634007 631184584 /nfs/dbraw/zinc/18/45/84/631184584.db2.gz RFWRZDQKQNFSDH-RDJZCZTQSA-N 0 3 317.433 3.019 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000845733067 631192460 /nfs/dbraw/zinc/19/24/60/631192460.db2.gz TZLONGNLKPQOHT-MRXNPFEDSA-N 0 3 312.413 3.006 20 30 DGEDHN C#CCCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873367 631200127 /nfs/dbraw/zinc/20/01/27/631200127.db2.gz CXFIDCFYDHJDKJ-MLGOLLRUSA-N 0 3 307.321 3.269 20 30 DGEDHN C#CCCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873370 631200193 /nfs/dbraw/zinc/20/01/93/631200193.db2.gz CXFIDCFYDHJDKJ-WBMJQRKESA-N 0 3 307.321 3.269 20 30 DGEDHN CC([C@H](OC(=O)CC(C)(C)C#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877653 631200577 /nfs/dbraw/zinc/20/05/77/631200577.db2.gz FWZINRRURYUBSQ-YGRLFVJLSA-N 0 3 308.309 3.015 20 30 DGEDHN CCOc1cccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000846008810 631205477 /nfs/dbraw/zinc/20/54/77/631205477.db2.gz XZVUOANQXJTBAG-LJQANCHMSA-N 0 3 310.397 3.122 20 30 DGEDHN CCOc1cccc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000846008807 631205510 /nfs/dbraw/zinc/20/55/10/631205510.db2.gz XZVUOANQXJTBAG-IBGZPJMESA-N 0 3 310.397 3.122 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107877052 631751960 /nfs/dbraw/zinc/75/19/60/631751960.db2.gz QGLKEUIBNFHFOA-FGTMMUONSA-N 0 3 320.392 3.177 20 30 DGEDHN C=CCCC1(CNC(=S)NC2CCN(C)CC2)CCCC1 ZINC000849273608 631876074 /nfs/dbraw/zinc/87/60/74/631876074.db2.gz QPSCBBCJGWXPDL-UHFFFAOYSA-N 0 3 309.523 3.071 20 30 DGEDHN COCc1csc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000850378178 632131852 /nfs/dbraw/zinc/13/18/52/632131852.db2.gz WTNRGVVWGSIDPZ-CYBMUJFWSA-N 0 3 316.426 3.475 20 30 DGEDHN COc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1C#N ZINC000850395483 632138956 /nfs/dbraw/zinc/13/89/56/632138956.db2.gz TUNCGGHTQDOFEV-WOJBJXKFSA-N 0 3 324.424 3.415 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419139 632146477 /nfs/dbraw/zinc/14/64/77/632146477.db2.gz BWVJFOQIPBYUNC-JXFKEZNVSA-N 0 3 309.409 3.300 20 30 DGEDHN CC1(C)OC[C@@H]2C[C@@]21C(=O)C(C#N)c1nc2ccccc2s1 ZINC000850738408 632209670 /nfs/dbraw/zinc/20/96/70/632209670.db2.gz BWTGJZGPCLULME-RVPKQNPDSA-N 0 3 312.394 3.288 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850759565 632217052 /nfs/dbraw/zinc/21/70/52/632217052.db2.gz KLUFHIYEYVIHQQ-HNNXBMFYSA-N 0 3 310.353 3.041 20 30 DGEDHN COc1ccc(SCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000007672009 632268941 /nfs/dbraw/zinc/26/89/41/632268941.db2.gz 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/nfs/dbraw/zinc/59/47/78/632594778.db2.gz YLTOCKJRXCSAKW-UHFFFAOYSA-N 0 3 322.408 3.299 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(CC)CC)no2)[C@@H](C)C1 ZINC000943374626 660186364 /nfs/dbraw/zinc/18/63/64/660186364.db2.gz NWSWZFYHDMFLEC-ZFWWWQNUSA-N 0 3 319.449 3.204 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)[C@H](C)C1 ZINC000944077620 660211391 /nfs/dbraw/zinc/21/13/91/660211391.db2.gz BYBYBDLLDCADCG-BEFAXECRSA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000944306938 660220220 /nfs/dbraw/zinc/22/02/20/660220220.db2.gz UOYXDSHGAFZBIV-QFBILLFUSA-N 0 3 312.457 3.274 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccc(F)cc23)[C@@H](C)C1 ZINC000944445226 660223760 /nfs/dbraw/zinc/22/37/60/660223760.db2.gz NSSDQZQQMCSLFY-BLLLJJGKSA-N 0 3 316.376 3.198 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2C(F)F)[C@@H](C)C1 ZINC000944529958 660225009 /nfs/dbraw/zinc/22/50/09/660225009.db2.gz AJQAEMVRKLNZIA-CMPLNLGQSA-N 0 3 314.401 3.312 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3c2CCCC3)C[C@@H]1C ZINC000947344704 659409751 /nfs/dbraw/zinc/40/97/51/659409751.db2.gz ZXSQVTGUZUGSKG-FUHWJXTLSA-N 0 3 324.468 3.171 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2oc3ccccc3c2C)[C@H](C)C1 ZINC000944701082 660230177 /nfs/dbraw/zinc/23/01/77/660230177.db2.gz NBSXKLBXCMELHU-RHSMWYFYSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2oc3ccccc3c2C)[C@@H](C)C1 ZINC000944701084 660230222 /nfs/dbraw/zinc/23/02/22/660230222.db2.gz NBSXKLBXCMELHU-YOEHRIQHSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2csc3c2CCCC3)[C@H](C)C1 ZINC000944701456 660230476 /nfs/dbraw/zinc/23/04/76/660230476.db2.gz PFVBHYFIZGFHJE-CZUORRHYSA-N 0 3 318.486 3.253 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](C)C1 ZINC000944790283 660232652 /nfs/dbraw/zinc/23/26/52/660232652.db2.gz PEBGRGUMMJOONG-UONOGXRCSA-N 0 3 306.475 3.245 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)c3occc32)[C@H](C)C1 ZINC000945028563 660238616 /nfs/dbraw/zinc/23/86/16/660238616.db2.gz JOQBSXJAOWTNRZ-WBMJQRKESA-N 0 3 316.376 3.198 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H](C)C1 ZINC000945367010 660250358 /nfs/dbraw/zinc/25/03/58/660250358.db2.gz QCZPGEQAFLXLLD-JZFKGDSASA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2sccc2Cl)CC1 ZINC000997106498 660309107 /nfs/dbraw/zinc/30/91/07/660309107.db2.gz DQCKRXMDIRSGPX-GFCCVEGCSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000997294826 660318292 /nfs/dbraw/zinc/31/82/92/660318292.db2.gz ZWCAHWZCNFYWHC-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)(C)C ZINC001032465210 660322816 /nfs/dbraw/zinc/32/28/16/660322816.db2.gz ARZQMRDXCOQQGR-HOTGVXAUSA-N 0 3 312.457 3.459 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)CC3CCCC3)C2)C1 ZINC001040432756 660330193 /nfs/dbraw/zinc/33/01/93/660330193.db2.gz VEAYZDPZYLGEJM-YLJYHZDGSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000997401067 660323869 /nfs/dbraw/zinc/32/38/69/660323869.db2.gz ZNRPMXCHVFBOQA-JFIYKMOQSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(CC)c(C)s2)CC1 ZINC000997418143 660324446 /nfs/dbraw/zinc/32/44/46/660324446.db2.gz QFGDHDCMJCTDQH-CYBMUJFWSA-N 0 3 318.486 3.082 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2ccccc21 ZINC001032477036 660328233 /nfs/dbraw/zinc/32/82/33/660328233.db2.gz CDHYGDOZXOQVLH-BJLQDIEVSA-N 0 3 324.468 3.358 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000997585929 660334481 /nfs/dbraw/zinc/33/44/81/660334481.db2.gz ZCJCHKRQTJVCGM-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001032518641 660336520 /nfs/dbraw/zinc/33/65/20/660336520.db2.gz PWWOGLNHWQXQES-FHWLQOOXSA-N 0 3 310.441 3.041 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001032518731 660336681 /nfs/dbraw/zinc/33/66/81/660336681.db2.gz UWGHNEZZZLLCQZ-UFYCRDLUSA-N 0 3 324.468 3.432 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccccc2CC)CC1 ZINC000997736543 660341220 /nfs/dbraw/zinc/34/12/20/660341220.db2.gz VPQIKEDORHYVSV-INIZCTEOSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(C)c2Cl)CC1 ZINC000997798886 660345292 /nfs/dbraw/zinc/34/52/92/660345292.db2.gz JLQTXFCEZUEQCJ-AWEZNQCLSA-N 0 3 318.848 3.112 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001032530249 660338395 /nfs/dbraw/zinc/33/83/95/660338395.db2.gz LNAAASNZXVUGKZ-VNYTWHDVSA-N 0 3 324.468 3.216 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2sccc2C2CC2)CC1 ZINC000997856730 660347681 /nfs/dbraw/zinc/34/76/81/660347681.db2.gz KECVLATUCVTMCP-ZDUSSCGKSA-N 0 3 316.470 3.089 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC000997881861 660348674 /nfs/dbraw/zinc/34/86/74/660348674.db2.gz JDNNNDSMPBMEAV-VMEOHVCESA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000997916285 660354645 /nfs/dbraw/zinc/35/46/45/660354645.db2.gz SHPRZQSBYORANE-HNNXBMFYSA-N 0 3 321.852 3.008 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(Cl)o2)CC1 ZINC000997917622 660354915 /nfs/dbraw/zinc/35/49/15/660354915.db2.gz XWGVNDKJEUTSCQ-CQSZACIVSA-N 0 3 322.836 3.273 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000948639133 660360269 /nfs/dbraw/zinc/36/02/69/660360269.db2.gz MJHCAZCNDUFTER-ZSYWTGECSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)C[C@H]1C ZINC000947943664 660367230 /nfs/dbraw/zinc/36/72/30/660367230.db2.gz NRWSJYUFDXGDEQ-CZUORRHYSA-N 0 3 320.383 3.230 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000998136757 660372196 /nfs/dbraw/zinc/37/21/96/660372196.db2.gz UVONFPRHNNNXKX-SFHVURJKSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000998136754 660372232 /nfs/dbraw/zinc/37/22/32/660372232.db2.gz UVONFPRHNNNXKX-GOSISDBHSA-N 0 3 323.440 3.118 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1C ZINC001032604147 660373234 /nfs/dbraw/zinc/37/32/34/660373234.db2.gz RCCDKCSZDAMXAS-OALUTQOASA-N 0 3 312.457 3.097 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc(Cl)c2)CC1 ZINC000998179115 660374611 /nfs/dbraw/zinc/37/46/11/660374611.db2.gz IHIIXBIOCJMSCA-QGZVFWFLSA-N 0 3 318.848 3.290 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000998200272 660376123 /nfs/dbraw/zinc/37/61/23/660376123.db2.gz ZIESGTIEZDWDAI-QGZVFWFLSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(F)c(C)c2)CC1 ZINC000998092088 660369050 /nfs/dbraw/zinc/36/90/50/660369050.db2.gz DCSRKZWMEFMFTO-KRWDZBQOSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000998102808 660369511 /nfs/dbraw/zinc/36/95/11/660369511.db2.gz NOFMOUGBLAQYGM-UYAOXDASSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C1CCC(C(=O)N(CC)[C@H]2CCCN(CC#CC)CC2)CC1 ZINC000998112038 660370762 /nfs/dbraw/zinc/37/07/62/660370762.db2.gz SGWRTMRCDRWLEK-IBGZPJMESA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC2CC2)CC[C@H]1C(F)(F)F ZINC000998233335 660377228 /nfs/dbraw/zinc/37/72/28/660377228.db2.gz BUFYZXLVFNVAAB-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)C2=CCCC2)CC[C@@H]1C(F)(F)F ZINC000998260391 660379167 /nfs/dbraw/zinc/37/91/67/660379167.db2.gz WHWVHHRNKAOHMZ-KBPBESRZSA-N 0 3 316.367 3.042 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC2(C)CC2)CC[C@@H]1C(F)(F)F ZINC000998278461 660380530 /nfs/dbraw/zinc/38/05/30/660380530.db2.gz HGWWQPYOWJHGCS-QWHCGFSZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2(CC)CC2)CC[C@@H]1C(F)(F)F ZINC000998283044 660380855 /nfs/dbraw/zinc/38/08/55/660380855.db2.gz BVUOATKUWQGHDX-QWHCGFSZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)C2(CC)CC2)CC[C@@H]1C(F)(F)F ZINC000998283045 660381077 /nfs/dbraw/zinc/38/10/77/660381077.db2.gz BVUOATKUWQGHDX-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc3occc3c2)C1 ZINC000998811129 660399149 /nfs/dbraw/zinc/39/91/49/660399149.db2.gz SDEWRNASAKGTQQ-UHFFFAOYSA-N 0 3 318.804 3.378 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001032647468 660405994 /nfs/dbraw/zinc/40/59/94/660405994.db2.gz XNEJPAVYNBLVEK-MWDXBVQZSA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)cc(Cl)c1 ZINC001032645025 660405496 /nfs/dbraw/zinc/40/54/96/660405496.db2.gz CMKNUEKSQZSEIJ-HOTGVXAUSA-N 0 3 322.811 3.344 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2cc(C)ccc2C)C1 ZINC000999339116 660416224 /nfs/dbraw/zinc/41/62/24/660416224.db2.gz KATXDQPFCGXMST-UHFFFAOYSA-N 0 3 320.864 3.177 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000999388643 660417764 /nfs/dbraw/zinc/41/77/64/660417764.db2.gz HSVUWPVMTUONJP-PNESKVBLSA-N 0 3 320.811 3.143 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(CF)cc2)C1 ZINC000999909313 660431422 /nfs/dbraw/zinc/43/14/22/660431422.db2.gz HFSYCGXUINOEMM-UHFFFAOYSA-N 0 3 310.800 3.101 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc2ccccc21 ZINC001032746085 660437590 /nfs/dbraw/zinc/43/75/90/660437590.db2.gz YSJNRURASCXTOG-OALUTQOASA-N 0 3 320.436 3.244 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(Cl)s1 ZINC001032780131 660444051 /nfs/dbraw/zinc/44/40/51/660444051.db2.gz WAZWFJJUHRRZTE-STQMWFEESA-N 0 3 324.877 3.195 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001032805791 660451384 /nfs/dbraw/zinc/45/13/84/660451384.db2.gz AREKWQDEFHOPDI-NEWSRXKRSA-N 0 3 312.457 3.035 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCc2ccccc21 ZINC001032807653 660451892 /nfs/dbraw/zinc/45/18/92/660451892.db2.gz RRTNMTVGIBAOSL-BJLQDIEVSA-N 0 3 324.468 3.358 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001032808526 660452272 /nfs/dbraw/zinc/45/22/72/660452272.db2.gz FLDYWUOMPFWCIN-IKGGRYGDSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc(CC)c(CC)c2)CC1 ZINC001001496590 660454828 /nfs/dbraw/zinc/45/48/28/660454828.db2.gz KEGZSYRZSZHWBW-UHFFFAOYSA-N 0 3 312.457 3.359 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001001970688 660460801 /nfs/dbraw/zinc/46/08/01/660460801.db2.gz OJCIOBKLSDUPER-WGSAOQKQSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001002070962 660463152 /nfs/dbraw/zinc/46/31/52/660463152.db2.gz VOKAMZVCJABRIC-SAABIXHNSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)C2)C1 ZINC001040541307 660469245 /nfs/dbraw/zinc/46/92/45/660469245.db2.gz ZRFHABLWUDGQBH-WOJBJXKFSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C(C)(F)F)CC1 ZINC001004322719 660542192 /nfs/dbraw/zinc/54/21/92/660542192.db2.gz CIFKHVOXKSAOJG-CYBMUJFWSA-N 0 3 320.811 3.097 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)c2ccoc2)CC1 ZINC001004351146 660545929 /nfs/dbraw/zinc/54/59/29/660545929.db2.gz JBWXYJJUMNLTQL-INIZCTEOSA-N 0 3 322.836 3.349 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C2CC(C)C2)CC1 ZINC001004399644 660548480 /nfs/dbraw/zinc/54/84/80/660548480.db2.gz JEOWRTVRGNLYRZ-IMRCBTMISA-N 0 3 324.896 3.488 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001004416968 660550148 /nfs/dbraw/zinc/55/01/48/660550148.db2.gz ZAKZITBYQHMAKK-HZPDHXFCSA-N 0 3 324.896 3.488 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2OC)C1 ZINC001033373611 660616016 /nfs/dbraw/zinc/61/60/16/660616016.db2.gz SGGYOVBAVBDSRS-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001033392479 660616284 /nfs/dbraw/zinc/61/62/84/660616284.db2.gz BFHNITVAKULGGG-SFHVURJKSA-N 0 3 312.457 3.384 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2C)C1 ZINC001033380093 660615510 /nfs/dbraw/zinc/61/55/10/660615510.db2.gz HECSDLBBOFBCLW-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001033447506 660622854 /nfs/dbraw/zinc/62/28/54/660622854.db2.gz WHJLKDDHUVMFFE-GVDBMIGSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033447007 660622864 /nfs/dbraw/zinc/62/28/64/660622864.db2.gz BGQVVUHJECSQDN-GFCCVEGCSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001033511461 660628902 /nfs/dbraw/zinc/62/89/02/660628902.db2.gz BCJJYEOJFMTIPI-VQIMIIECSA-N 0 3 314.473 3.461 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001033499422 660629196 /nfs/dbraw/zinc/62/91/96/660629196.db2.gz KCUUIGSKZQAFLM-LJQANCHMSA-N 0 3 310.441 3.368 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sccc2C(F)F)C1 ZINC001033624903 660640913 /nfs/dbraw/zinc/64/09/13/660640913.db2.gz RBFHAVDHYNWNAH-NSHDSACASA-N 0 3 314.401 3.408 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1 ZINC001033630431 660641664 /nfs/dbraw/zinc/64/16/64/660641664.db2.gz YCAITZMYSQFVFC-ABHNRTSZSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033670583 660647342 /nfs/dbraw/zinc/64/73/42/660647342.db2.gz ACZCWGTWMAAWLV-WMLDXEAASA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001033679343 660649240 /nfs/dbraw/zinc/64/92/40/660649240.db2.gz KWVWFHIYQSDGAT-DZGCQCFKSA-N 0 3 322.399 3.177 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001033691643 660652003 /nfs/dbraw/zinc/65/20/03/660652003.db2.gz AGRVAIWJXGMBBX-AZUAARDMSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)noc2CCC)CC1 ZINC001005383686 660666129 /nfs/dbraw/zinc/66/61/29/660666129.db2.gz VJHBRHDVKKOGKQ-UHFFFAOYSA-N 0 3 319.449 3.048 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc3c2CCCC3)C1 ZINC001033848327 660670330 /nfs/dbraw/zinc/67/03/30/660670330.db2.gz AQGJXSJZWSZUCM-GOSISDBHSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCn1cccc1C(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033855834 660671578 /nfs/dbraw/zinc/67/15/78/660671578.db2.gz NCHSKVHKXWONLB-QGZVFWFLSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cc(COC)cs2)C1 ZINC001033885046 660675284 /nfs/dbraw/zinc/67/52/84/660675284.db2.gz MCYWLWVHYVLPRV-OAHLLOKOSA-N 0 3 322.474 3.007 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033895836 660676964 /nfs/dbraw/zinc/67/69/64/660676964.db2.gz UUCNWGSDNJJIED-INIZCTEOSA-N 0 3 311.429 3.052 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033968555 660686506 /nfs/dbraw/zinc/68/65/06/660686506.db2.gz OWGFNGOHEHHBRA-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001034014087 660693411 /nfs/dbraw/zinc/69/34/11/660693411.db2.gz BBZQXSSNAUXYMK-FQEVSTJZSA-N 0 3 322.452 3.206 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034037916 660698066 /nfs/dbraw/zinc/69/80/66/660698066.db2.gz BWUAIENOWGHVJH-LJQANCHMSA-N 0 3 312.457 3.288 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034051740 660699642 /nfs/dbraw/zinc/69/96/42/660699642.db2.gz ZVLJPNBIVRKEOH-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cncc3ccccc32)C1 ZINC001034046957 660701557 /nfs/dbraw/zinc/70/15/57/660701557.db2.gz WNGLFLQFCDPVSZ-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2sccc2CC)C1 ZINC001034049183 660701852 /nfs/dbraw/zinc/70/18/52/660701852.db2.gz KUQRFVXQOSLEIX-HNNXBMFYSA-N 0 3 306.475 3.423 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050478 660702624 /nfs/dbraw/zinc/70/26/24/660702624.db2.gz ALLQNSMEHBLOHY-KRWDZBQOSA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034028424 660695936 /nfs/dbraw/zinc/69/59/36/660695936.db2.gz DXOURKQLBPGCTQ-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001034219256 660724447 /nfs/dbraw/zinc/72/44/47/660724447.db2.gz BTBYWPDSKIGVNA-CYBMUJFWSA-N 0 3 324.877 3.318 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228603 660725603 /nfs/dbraw/zinc/72/56/03/660725603.db2.gz GKQILCNLCQPVHN-JKSUJKDBSA-N 0 3 318.465 3.015 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2nsc3ccccc32)C1 ZINC001034221249 660726229 /nfs/dbraw/zinc/72/62/29/660726229.db2.gz LBGUWSFQPPLCJD-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001034258161 660729173 /nfs/dbraw/zinc/72/91/73/660729173.db2.gz STDLDXORMICVJN-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cncc(Cl)c2C)CC1 ZINC001005533080 660730197 /nfs/dbraw/zinc/73/01/97/660730197.db2.gz NANDXPYYDZGBPK-UHFFFAOYSA-N 0 3 321.852 3.156 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001034294297 660733376 /nfs/dbraw/zinc/73/33/76/660733376.db2.gz VXXUCGWBRVAQFM-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001034307207 660735437 /nfs/dbraw/zinc/73/54/37/660735437.db2.gz LTYLNDUYCDSRSU-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001034307205 660735478 /nfs/dbraw/zinc/73/54/78/660735478.db2.gz LTYLNDUYCDSRSU-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001034309159 660735537 /nfs/dbraw/zinc/73/55/37/660735537.db2.gz IWEVVALTUKKXDA-KBPBESRZSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001034370746 660742328 /nfs/dbraw/zinc/74/23/28/660742328.db2.gz XTEVCHGFGZQJBG-QGZVFWFLSA-N 0 3 300.446 3.409 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001034374584 660742668 /nfs/dbraw/zinc/74/26/68/660742668.db2.gz ZGKKNNDVFXUCRL-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001034375491 660743446 /nfs/dbraw/zinc/74/34/46/660743446.db2.gz BNQJKBWVILHIMH-AWEZNQCLSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001034361464 660744030 /nfs/dbraw/zinc/74/40/30/660744030.db2.gz AZPZBODWOSTXKL-MRXNPFEDSA-N 0 3 303.450 3.148 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001034361463 660744072 /nfs/dbraw/zinc/74/40/72/660744072.db2.gz AZPZBODWOSTXKL-INIZCTEOSA-N 0 3 303.450 3.148 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001034366861 660744712 /nfs/dbraw/zinc/74/47/12/660744712.db2.gz BIZOGABMRYZZOT-KRWDZBQOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001034377866 660744970 /nfs/dbraw/zinc/74/49/70/660744970.db2.gz MSIQFWOAHHQRTC-OAHLLOKOSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001034399290 660747298 /nfs/dbraw/zinc/74/72/98/660747298.db2.gz RXKGSVQBFWLOHS-MRXNPFEDSA-N 0 3 315.461 3.443 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034395180 660747655 /nfs/dbraw/zinc/74/76/55/660747655.db2.gz UILBGLZHTYBYGT-GDBMZVCRSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001034449779 660755475 /nfs/dbraw/zinc/75/54/75/660755475.db2.gz AZNLWIRYYXZZRU-QGZVFWFLSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001034451451 660756090 /nfs/dbraw/zinc/75/60/90/660756090.db2.gz RFFUHRKQRGOZDL-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001034453494 660756162 /nfs/dbraw/zinc/75/61/62/660756162.db2.gz HLMJGAYAYJPLKJ-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001034474448 660756367 /nfs/dbraw/zinc/75/63/67/660756367.db2.gz OYPOBAYLLSWBSO-GOSISDBHSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001034477507 660757270 /nfs/dbraw/zinc/75/72/70/660757270.db2.gz QJADIKDLKKMQRV-AWEZNQCLSA-N 0 3 319.449 3.133 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001034499531 660761267 /nfs/dbraw/zinc/76/12/67/660761267.db2.gz UOSSYZRKLMGOQL-CYBMUJFWSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001034536413 660769454 /nfs/dbraw/zinc/76/94/54/660769454.db2.gz UTDNPIGLUPSLRR-HNNXBMFYSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001034540246 660770312 /nfs/dbraw/zinc/77/03/12/660770312.db2.gz GULAJJRDJUEOFY-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001034548478 660772619 /nfs/dbraw/zinc/77/26/19/660772619.db2.gz OCJVYQBCSMPEFL-CTWPCTMYSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001034548811 660773187 /nfs/dbraw/zinc/77/31/87/660773187.db2.gz GYOLBUKGNSVZBS-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(CC)s2)CC1 ZINC001005678085 660788710 /nfs/dbraw/zinc/78/87/10/660788710.db2.gz QEIDFZXLGZEXDB-UHFFFAOYSA-N 0 3 306.475 3.423 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccnc2C2CC2)CC1 ZINC001005663301 660786783 /nfs/dbraw/zinc/78/67/83/660786783.db2.gz XUYPQQQYLLTKFZ-UHFFFAOYSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC001005770090 660813396 /nfs/dbraw/zinc/81/33/96/660813396.db2.gz QXCAFQNEYZWUMP-MSOLQXFVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC3(CCN(C/C=C/Cl)C3)CC2)C1 ZINC001035226114 660829026 /nfs/dbraw/zinc/82/90/26/660829026.db2.gz HJRXSARMMZGOKF-XVNBXDOJSA-N 0 3 322.880 3.410 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)c1ccsc1)CC2 ZINC001035794185 660852625 /nfs/dbraw/zinc/85/26/25/660852625.db2.gz HDFGHFZAPDORMF-OAHLLOKOSA-N 0 3 318.486 3.352 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC=CCCC1)CC2 ZINC001035730604 660847663 /nfs/dbraw/zinc/84/76/63/660847663.db2.gz RKURBYWMEQYQKZ-GOSISDBHSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)CC2 ZINC001035781021 660851474 /nfs/dbraw/zinc/85/14/74/660851474.db2.gz LXZRRKXNHMJBKA-DLBZAZTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035785019 660851674 /nfs/dbraw/zinc/85/16/74/660851674.db2.gz NFGVNILMQHSZAX-GOSISDBHSA-N 0 3 304.478 3.479 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)C1 ZINC001035788429 660852117 /nfs/dbraw/zinc/85/21/17/660852117.db2.gz GJGVUUMOZURESW-UHFFFAOYSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc3[nH]ccc31)CC2 ZINC001035803370 660854210 /nfs/dbraw/zinc/85/42/10/660854210.db2.gz MHUZFWVSUVTTOQ-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc3c(c1)CCC3)CC2 ZINC001035849185 660856336 /nfs/dbraw/zinc/85/63/36/660856336.db2.gz QMOALDIECKJGGD-UHFFFAOYSA-N 0 3 324.468 3.289 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)CC2 ZINC001035829939 660856537 /nfs/dbraw/zinc/85/65/37/660856537.db2.gz KAFXTTLHRMKZST-AEFFLSMTSA-N 0 3 304.478 3.169 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H](C)c1ccco1)CC2 ZINC001035838141 660857216 /nfs/dbraw/zinc/85/72/16/660857216.db2.gz OSAMHVVMXQLWAZ-MRXNPFEDSA-N 0 3 316.445 3.274 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001036439994 660905954 /nfs/dbraw/zinc/90/59/54/660905954.db2.gz MVTQTKKFYSMBEL-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@@]3(C)CC)CC[C@@H]2C1 ZINC000946843331 660943287 /nfs/dbraw/zinc/94/32/87/660943287.db2.gz XTHZPUJIQJWYNN-KYHPRHEASA-N 0 3 324.896 3.346 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001006117638 660964609 /nfs/dbraw/zinc/96/46/09/660964609.db2.gz XYKUILIPLFJABK-QUCCMNQESA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001006061188 660960339 /nfs/dbraw/zinc/96/03/39/660960339.db2.gz RGCUWIAYQNCMBO-MRXNPFEDSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(C)C)oc2C)CC1 ZINC001006233754 660970708 /nfs/dbraw/zinc/97/07/08/660970708.db2.gz BTOUELAKIUPPBY-UHFFFAOYSA-N 0 3 304.434 3.434 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3ccncc3c2)CC1 ZINC001006249026 660971112 /nfs/dbraw/zinc/97/11/12/660971112.db2.gz PXQGDBMCEKXIGO-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN CC(=NNCC1(C)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000793085060 661004012 /nfs/dbraw/zinc/00/40/12/661004012.db2.gz WNBCLJUDRVJQLM-UHFFFAOYSA-N 0 3 315.461 3.417 20 30 DGEDHN C#CC[C@@H](NCc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000793029570 661001281 /nfs/dbraw/zinc/00/12/81/661001281.db2.gz WUOHYHPXAFTLDU-MRXNPFEDSA-N 0 3 322.433 3.454 20 30 DGEDHN CCOC[C@@H](NCc1cc(Cl)ccc1OCC#N)C(C)C ZINC000794599273 661092663 /nfs/dbraw/zinc/09/26/63/661092663.db2.gz FHJCPMBTZSSAGA-OAHLLOKOSA-N 0 3 310.825 3.393 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000969118899 655524968 /nfs/dbraw/zinc/52/49/68/655524968.db2.gz ZKVHGXZEKXGDJL-GBESFXJTSA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC000969121896 655525508 /nfs/dbraw/zinc/52/55/08/655525508.db2.gz QEYMLXHKJJWHFU-QGZVFWFLSA-N 0 3 316.420 3.132 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000969126619 655526186 /nfs/dbraw/zinc/52/61/86/655526186.db2.gz HNNOZVPNQZYQIU-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC000969132966 655526720 /nfs/dbraw/zinc/52/67/20/655526720.db2.gz GOHBBVAOWKLAMH-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC000969138828 655527427 /nfs/dbraw/zinc/52/74/27/655527427.db2.gz CMRHGWRMNUWWOG-GOSISDBHSA-N 0 3 312.457 3.301 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC000969158899 655529263 /nfs/dbraw/zinc/52/92/63/655529263.db2.gz VQWRKKLFUYHMCR-MRXNPFEDSA-N 0 3 323.440 3.084 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(F)c3ccccc3c2)C1 ZINC000969803167 655558191 /nfs/dbraw/zinc/55/81/91/655558191.db2.gz GCYBAFWMDVBDLK-CQSZACIVSA-N 0 3 324.399 3.052 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC000969830712 655559064 /nfs/dbraw/zinc/55/90/64/655559064.db2.gz RPVQNUIPNUYQFH-RHSMWYFYSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001020627365 655562371 /nfs/dbraw/zinc/56/23/71/655562371.db2.gz IKWNIKRCEPBSGS-KBUPBQIOSA-N 0 3 310.869 3.192 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccccc2C(C)(C)C)C1 ZINC000969923363 655564005 /nfs/dbraw/zinc/56/40/05/655564005.db2.gz RZLJBKZMDHWWFQ-OAHLLOKOSA-N 0 3 312.457 3.058 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039064184 655565536 /nfs/dbraw/zinc/56/55/36/655565536.db2.gz FOBRYHBOWPRROH-MRXNPFEDSA-N 0 3 312.457 3.254 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC001039105095 655577395 /nfs/dbraw/zinc/57/73/95/655577395.db2.gz FDVCJCFELDTQAP-MRXNPFEDSA-N 0 3 312.885 3.346 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001020864974 655579422 /nfs/dbraw/zinc/57/94/22/655579422.db2.gz SIIAURRLRGQBOQ-JOCQHMNTSA-N 0 3 310.825 3.314 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651916 655585334 /nfs/dbraw/zinc/58/53/34/655585334.db2.gz NQMAJRZFSOJUSA-HNAYVOBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001021001193 655585832 /nfs/dbraw/zinc/58/58/32/655585832.db2.gz PLYKGMWUDVVNIZ-SHTZXODSSA-N 0 3 314.816 3.443 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC000970267628 655591247 /nfs/dbraw/zinc/59/12/47/655591247.db2.gz HOMIHJAOTVDMGS-CQSZACIVSA-N 0 3 318.848 3.030 20 30 DGEDHN CN1CCN(C(=O)/C=C\c2ccccc2C#N)C2(CCCCC2)C1 ZINC000255080330 655595579 /nfs/dbraw/zinc/59/55/79/655595579.db2.gz JJAGFWPFQVJUOC-KTKRTIGZSA-N 0 3 323.440 3.048 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(F)c3ccccc23)C1 ZINC000970465832 655601285 /nfs/dbraw/zinc/60/12/85/655601285.db2.gz XDKQMKIACFVMOQ-CQSZACIVSA-N 0 3 324.399 3.052 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000970571957 655606798 /nfs/dbraw/zinc/60/67/98/655606798.db2.gz PXJHCGCLXGWSAO-HNNXBMFYSA-N 0 3 310.441 3.272 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000970626607 655610420 /nfs/dbraw/zinc/61/04/20/655610420.db2.gz ANKXBJWIGLAFLG-OAHLLOKOSA-N 0 3 312.457 3.058 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001039197292 655611234 /nfs/dbraw/zinc/61/12/34/655611234.db2.gz LWZYTQIUOHDEKR-MOPGFXCFSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001039197294 655611274 /nfs/dbraw/zinc/61/12/74/655611274.db2.gz LWZYTQIUOHDEKR-RBUKOAKNSA-N 0 3 314.473 3.213 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC000970730102 655614885 /nfs/dbraw/zinc/61/48/85/655614885.db2.gz ZSGXQISCKWNTNF-HNNXBMFYSA-N 0 3 323.440 3.308 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC000970740548 655615626 /nfs/dbraw/zinc/61/56/26/655615626.db2.gz KKSQJRBYYLNJOW-AWEZNQCLSA-N 0 3 318.848 3.030 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC000970740550 655615706 /nfs/dbraw/zinc/61/57/06/655615706.db2.gz KKSQJRBYYLNJOW-CQSZACIVSA-N 0 3 318.848 3.030 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C)s2)C1 ZINC001021505774 655621926 /nfs/dbraw/zinc/62/19/26/655621926.db2.gz NRYWVJMYIIJTJT-JKSUJKDBSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2=CCCCC2)C1 ZINC001021544156 655626934 /nfs/dbraw/zinc/62/69/34/655626934.db2.gz HUNUIAMKXOMMEU-RTBURBONSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)C[C@@H]1C ZINC000947409808 655628399 /nfs/dbraw/zinc/62/83/99/655628399.db2.gz XKODYENLSGAPCL-STQMWFEESA-N 0 3 324.371 3.132 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCC(CCCC)CC2)C1 ZINC000970846121 655629052 /nfs/dbraw/zinc/62/90/52/655629052.db2.gz QKBWUDUCLSZWEG-WWDZGPRUSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(F)c3occc32)C1 ZINC000970903029 655634517 /nfs/dbraw/zinc/63/45/17/655634517.db2.gz ZMJVHJCAHSEAJF-GFCCVEGCSA-N 0 3 316.376 3.198 20 30 DGEDHN COc1ccc(O)c(/C=N\C[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000255206096 655646015 /nfs/dbraw/zinc/64/60/15/655646015.db2.gz KRWFMAFGGVYTMZ-HRVJUDJTSA-N 0 3 312.413 3.431 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000971072175 655657821 /nfs/dbraw/zinc/65/78/21/655657821.db2.gz YIIBQAXYFAIORI-KRWDZBQOSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCC1(N[C@@H](CCCC)C(=O)Nc2cc(C)on2)CCC1 ZINC000933300704 655698366 /nfs/dbraw/zinc/69/83/66/655698366.db2.gz JXZKNDIHXRCNQX-AWEZNQCLSA-N 0 3 303.406 3.016 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2cccc(SC)c2)CCC1 ZINC000933304413 655698830 /nfs/dbraw/zinc/69/88/30/655698830.db2.gz LSJZAGKKHHBJHW-CYBMUJFWSA-N 0 3 302.443 3.271 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001022120376 655712396 /nfs/dbraw/zinc/71/23/96/655712396.db2.gz MFPBKWNUTVAZSP-TXEJJXNPSA-N 0 3 313.228 3.251 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC000971798048 655727846 /nfs/dbraw/zinc/72/78/46/655727846.db2.gz PWLZEAUCDHUCTI-HNNXBMFYSA-N 0 3 311.429 3.117 20 30 DGEDHN N#CC1(CCCCN2CCOC[C@H]2C[C@@H]2CCCO2)CCC1 ZINC000933688449 655730446 /nfs/dbraw/zinc/73/04/46/655730446.db2.gz KFGYYNWHFCNEFX-SJORKVTESA-N 0 3 306.450 3.120 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000971855594 655737605 /nfs/dbraw/zinc/73/76/05/655737605.db2.gz FLTWFVJXOTXXIX-LBPRGKRZSA-N 0 3 317.820 3.154 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC000971897418 655744732 /nfs/dbraw/zinc/74/47/32/655744732.db2.gz ZRPQRHYRFIMNMC-LJQANCHMSA-N 0 3 314.473 3.146 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC=CCC1 ZINC001039472300 655744743 /nfs/dbraw/zinc/74/47/43/655744743.db2.gz LMFZNLBKPAARDI-MSOLQXFVSA-N 0 3 302.462 3.374 20 30 DGEDHN CC(C)CO[C@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000091964281 655751788 /nfs/dbraw/zinc/75/17/88/655751788.db2.gz MCOJDLAAHXFCNG-YJBOKZPZSA-N 0 3 302.418 3.224 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001022637914 655757726 /nfs/dbraw/zinc/75/77/26/655757726.db2.gz RKPHQIGGOVBEGS-AOOOYVTPSA-N 0 3 317.191 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972082048 655763493 /nfs/dbraw/zinc/76/34/93/655763493.db2.gz LJXLAKGDYFUAJB-INIZCTEOSA-N 0 3 304.409 3.071 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001022699507 655768307 /nfs/dbraw/zinc/76/83/07/655768307.db2.gz QISPJFPGFPSDFE-GASCZTMLSA-N 0 3 324.827 3.093 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC000972189681 655776520 /nfs/dbraw/zinc/77/65/20/655776520.db2.gz UQVWXCHULRZHPJ-NZSAHSFTSA-N 0 3 312.457 3.071 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC000972189682 655776686 /nfs/dbraw/zinc/77/66/86/655776686.db2.gz UQVWXCHULRZHPJ-YTQUADARSA-N 0 3 312.457 3.071 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)ccnc2CC)CC1 ZINC000934460340 655776728 /nfs/dbraw/zinc/77/67/28/655776728.db2.gz LIWVAZIAZCFSAO-UHFFFAOYSA-N 0 3 316.449 3.114 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001022795793 655788923 /nfs/dbraw/zinc/78/89/23/655788923.db2.gz TWLPNGWYHFEPIH-BETUJISGSA-N 0 3 322.767 3.175 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001022854537 655793665 /nfs/dbraw/zinc/79/36/65/655793665.db2.gz BLDNPQLWRSGIAV-BETUJISGSA-N 0 3 314.763 3.227 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001022867716 655794420 /nfs/dbraw/zinc/79/44/20/655794420.db2.gz BYGSXCDIYUWBPW-TXEJJXNPSA-N 0 3 313.228 3.251 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000972432994 655798038 /nfs/dbraw/zinc/79/80/38/655798038.db2.gz KMQVPGQTJHIURK-SFHVURJKSA-N 0 3 314.473 3.245 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000972439570 655798802 /nfs/dbraw/zinc/79/88/02/655798802.db2.gz DQPGJHZSCFTOCS-CYBMUJFWSA-N 0 3 312.866 3.053 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C[C@H]1C ZINC000947520603 655799471 /nfs/dbraw/zinc/79/94/71/655799471.db2.gz PUNFOWAFCLGIAC-DGCLKSJQSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001023013043 655808359 /nfs/dbraw/zinc/80/83/59/655808359.db2.gz BGEKKKLQQSOTAX-MJOOJJJVSA-N 0 3 322.880 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001023142203 655814848 /nfs/dbraw/zinc/81/48/48/655814848.db2.gz INXIUEBLFWYPMN-BETUJISGSA-N 0 3 318.804 3.344 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3sc(C)cc3C)C[C@H]21 ZINC001042074053 655824894 /nfs/dbraw/zinc/82/48/94/655824894.db2.gz CLRNMCYPJTYPSA-HUUCEWRRSA-N 0 3 304.459 3.087 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC000972555445 655829569 /nfs/dbraw/zinc/82/95/69/655829569.db2.gz OGNVAOSRMSIRIF-QAPCUYQASA-N 0 3 300.446 3.071 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001023403152 655831814 /nfs/dbraw/zinc/83/18/14/655831814.db2.gz DYFUWVVJHCCLHH-KRWDZBQOSA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2coc3c2cccc3C)C1 ZINC001023418148 655832657 /nfs/dbraw/zinc/83/26/57/655832657.db2.gz UZSSETNGKTWWST-INIZCTEOSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001023430705 655833293 /nfs/dbraw/zinc/83/32/93/655833293.db2.gz RVOJQUNUESJLNA-ZDUSSCGKSA-N 0 3 321.490 3.068 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3sccc3s2)C1 ZINC001023444391 655834246 /nfs/dbraw/zinc/83/42/46/655834246.db2.gz KDVMBXQZDOUILA-LBPRGKRZSA-N 0 3 318.467 3.038 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C)c3ccccc23)C1 ZINC001023619821 655849715 /nfs/dbraw/zinc/84/97/15/655849715.db2.gz POGBNJCWZXNKPE-QGZVFWFLSA-N 0 3 320.436 3.223 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001023763709 655862608 /nfs/dbraw/zinc/86/26/08/655862608.db2.gz YPTCQPCXGWKIRX-INIZCTEOSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001023763494 655862676 /nfs/dbraw/zinc/86/26/76/655862676.db2.gz OXYXXBOZUYIMJY-OAHLLOKOSA-N 0 3 312.413 3.369 20 30 DGEDHN CCOc1ccc(O)c(/C=N\CCN(C)Cc2ccccc2)c1 ZINC000255635319 655883142 /nfs/dbraw/zinc/88/31/42/655883142.db2.gz ZRKOWJMALDESFY-ZHZULCJRSA-N 0 3 312.413 3.342 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)C[C@H]1C ZINC000947602622 655885845 /nfs/dbraw/zinc/88/58/45/655885845.db2.gz MLLXGAGMQOXQJB-WBVHZDCISA-N 0 3 316.420 3.049 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccsc1COC ZINC001024510256 655911865 /nfs/dbraw/zinc/91/18/65/655911865.db2.gz IFQBEOICTVWCEG-AWEZNQCLSA-N 0 3 322.474 3.055 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001024510151 655911987 /nfs/dbraw/zinc/91/19/87/655911987.db2.gz FQMVLYWTLIOAPN-YESZJQIVSA-N 0 3 318.486 3.398 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001024580904 655920127 /nfs/dbraw/zinc/92/01/27/655920127.db2.gz AKPNFGODKVTNAP-KRWDZBQOSA-N 0 3 323.440 3.084 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001024581877 655920337 /nfs/dbraw/zinc/92/03/37/655920337.db2.gz NOMVZOQDIHJPJG-MRXNPFEDSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001024582412 655920344 /nfs/dbraw/zinc/92/03/44/655920344.db2.gz VROZGYRJBWZKKQ-AWEZNQCLSA-N 0 3 317.458 3.390 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001024616450 655924530 /nfs/dbraw/zinc/92/45/30/655924530.db2.gz VVWSJRASVYLJQA-HNNXBMFYSA-N 0 3 303.450 3.299 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024622037 655924935 /nfs/dbraw/zinc/92/49/35/655924935.db2.gz QKKNBHHQCJBMAW-HNNXBMFYSA-N 0 3 301.434 3.053 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001024626798 655925063 /nfs/dbraw/zinc/92/50/63/655925063.db2.gz GVAMWBOGJLQGNY-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001024632099 655926610 /nfs/dbraw/zinc/92/66/10/655926610.db2.gz SRMPAONGTFQSPB-GOSISDBHSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001024636938 655926916 /nfs/dbraw/zinc/92/69/16/655926916.db2.gz DSYAYLDOGXIANY-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001024649402 655927779 /nfs/dbraw/zinc/92/77/79/655927779.db2.gz SXZABNCQEVLHDG-KRWDZBQOSA-N 0 3 324.468 3.346 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024663800 655928463 /nfs/dbraw/zinc/92/84/63/655928463.db2.gz LZIXZIOHTSKZFT-MRXNPFEDSA-N 0 3 311.429 3.328 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001024673568 655928697 /nfs/dbraw/zinc/92/86/97/655928697.db2.gz MRTHQMNNGUFBSP-YRXWBPOGSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024690003 655931035 /nfs/dbraw/zinc/93/10/35/655931035.db2.gz POFWATJQDXQSTE-GOSISDBHSA-N 0 3 311.429 3.100 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001024702211 655931758 /nfs/dbraw/zinc/93/17/58/655931758.db2.gz QDWUUEBMSCINSM-HXUWFJFHSA-N 0 3 322.452 3.254 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001024704322 655932122 /nfs/dbraw/zinc/93/21/22/655932122.db2.gz KCLFRCQBHVOCRD-YZGWKJHDSA-N 0 3 324.468 3.093 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786717 655938733 /nfs/dbraw/zinc/93/87/33/655938733.db2.gz OWPYCQUXSFJNDV-GOSISDBHSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccccc1OCC ZINC001024785162 655938739 /nfs/dbraw/zinc/93/87/39/655938739.db2.gz DOMVCGNHWXKFML-INIZCTEOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001024811716 655941410 /nfs/dbraw/zinc/94/14/10/655941410.db2.gz WWNOEHBCENMXHG-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001024819463 655941553 /nfs/dbraw/zinc/94/15/53/655941553.db2.gz PDPLZNPUSQELNP-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCN[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000178058208 655953613 /nfs/dbraw/zinc/95/36/13/655953613.db2.gz SCPBYEHXUMCKRT-LBPRGKRZSA-N 0 3 302.809 3.293 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1ncccc1C ZINC001025041019 655958583 /nfs/dbraw/zinc/95/85/83/655958583.db2.gz RCPUNEDFHYJKMH-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025194833 655976140 /nfs/dbraw/zinc/97/61/40/655976140.db2.gz GPPDKKRVRKWTKA-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196408 655976989 /nfs/dbraw/zinc/97/69/89/655976989.db2.gz UNXUGSBHAZTPLK-RBUKOAKNSA-N 0 3 310.441 3.087 20 30 DGEDHN C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201297 655977943 /nfs/dbraw/zinc/97/79/43/655977943.db2.gz LJCNKHIIVTYUFO-SJORKVTESA-N 0 3 314.429 3.037 20 30 DGEDHN C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001025201297 655977944 /nfs/dbraw/zinc/97/79/44/655977944.db2.gz LJCNKHIIVTYUFO-SJORKVTESA-N 0 3 314.429 3.037 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001025207955 655978572 /nfs/dbraw/zinc/97/85/72/655978572.db2.gz BWCOOCSVVGLGIA-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC(C)(C)C1 ZINC001025227718 655981996 /nfs/dbraw/zinc/98/19/96/655981996.db2.gz BBUHEEFNYWZGNS-QZTJIDSGSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001025230011 655982200 /nfs/dbraw/zinc/98/22/00/655982200.db2.gz RUNITQVTTDMHSR-ZWKOTPCHSA-N 0 3 316.489 3.291 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001025230447 655982642 /nfs/dbraw/zinc/98/26/42/655982642.db2.gz AAJLPPVAISRINY-UXHICEINSA-N 0 3 324.468 3.154 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C2CC2)CC1 ZINC001025242134 655983969 /nfs/dbraw/zinc/98/39/69/655983969.db2.gz GTLYVZLGWKHDCP-QZTJIDSGSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1ccc(C)cc1 ZINC001025248139 655984230 /nfs/dbraw/zinc/98/42/30/655984230.db2.gz VTFVPTNMWQBADF-PMACEKPBSA-N 0 3 324.468 3.016 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025258491 655984978 /nfs/dbraw/zinc/98/49/78/655984978.db2.gz GTUAFKDLIPWMHJ-JKSUJKDBSA-N 0 3 302.418 3.233 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CC=CC1 ZINC001025268470 655987011 /nfs/dbraw/zinc/98/70/11/655987011.db2.gz ZWAMKLBCQGRGPI-QZTJIDSGSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CC)CCCC1 ZINC001025285147 655989190 /nfs/dbraw/zinc/98/91/90/655989190.db2.gz SMNCWJSANUVVEQ-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)cc1C ZINC001025294349 655989678 /nfs/dbraw/zinc/98/96/78/655989678.db2.gz ADALPWZYLQCGHX-WOJBJXKFSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(CC)cc1 ZINC001025298087 655990413 /nfs/dbraw/zinc/99/04/13/655990413.db2.gz UCHQUFMNKYRXII-WOJBJXKFSA-N 0 3 324.468 3.341 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001007571766 655997060 /nfs/dbraw/zinc/99/70/60/655997060.db2.gz SNXWVZDMEICQGW-MRXNPFEDSA-N 0 3 312.457 3.202 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC)C1 ZINC001025519297 656027813 /nfs/dbraw/zinc/02/78/13/656027813.db2.gz MSBZHVLJVFVSGC-FUHWJXTLSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC001025601208 656043034 /nfs/dbraw/zinc/04/30/34/656043034.db2.gz AXIBVBZZXWBROE-ZBFHGGJFSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C2CCC2)C1 ZINC001025607339 656045134 /nfs/dbraw/zinc/04/51/34/656045134.db2.gz SXFXRPNRAAAGGD-WMZOPIPTSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3ccccc32)C1 ZINC001025612232 656046938 /nfs/dbraw/zinc/04/69/38/656046938.db2.gz SOISTQBEYYARJY-FUHWJXTLSA-N 0 3 320.436 3.303 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC001025613793 656047705 /nfs/dbraw/zinc/04/77/05/656047705.db2.gz ARPHVUVWLYOZBN-GJZGRUSLSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC001025630783 656052448 /nfs/dbraw/zinc/05/24/48/656052448.db2.gz WCCKBXYKTGCMAL-BHASAWDCSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025631715 656052551 /nfs/dbraw/zinc/05/25/51/656052551.db2.gz DKEXIAVDUAHBCV-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc(C#N)c2)[C@@H]1SC 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C=C(C)CN1C[C@H](NC(=O)c2cc(C)sc2C)C(C)(C)C1 ZINC000974778542 656228928 /nfs/dbraw/zinc/22/89/28/656228928.db2.gz CKLIMXBABKSAHK-HNNXBMFYSA-N 0 3 306.475 3.381 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1NCCC#N ZINC000299991683 656231090 /nfs/dbraw/zinc/23/10/90/656231090.db2.gz UYYRYJQWLVTKDB-RRFJBIMHSA-N 0 3 307.438 3.058 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc[nH]c2C(C)C)C(C)(C)C1 ZINC000974940718 656243256 /nfs/dbraw/zinc/24/32/56/656243256.db2.gz IDFNYMZQQBFPNB-HNNXBMFYSA-N 0 3 303.450 3.154 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)ccc2C)C(C)(C)C1 ZINC000974993702 656246967 /nfs/dbraw/zinc/24/69/67/656246967.db2.gz IXHXQQYJWGTWIL-GOSISDBHSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)cc2C)C(C)(C)C1 ZINC000974991789 656247114 /nfs/dbraw/zinc/24/71/14/656247114.db2.gz FNAKAPUXDAKVDU-QGZVFWFLSA-N 0 3 316.445 3.020 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C(C)(C)C1 ZINC000974993115 656247130 /nfs/dbraw/zinc/24/71/30/656247130.db2.gz 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ZINC000977341406 656323109 /nfs/dbraw/zinc/32/31/09/656323109.db2.gz HCIRNHVJILGCAQ-RHSMWYFYSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)c2ccccc2F)C(C)(C)C1 ZINC000977341403 656323239 /nfs/dbraw/zinc/32/32/39/656323239.db2.gz HCIRNHVJILGCAQ-PBHICJAKSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3cccnc3c2)C(C)(C)C1 ZINC000977357200 656324291 /nfs/dbraw/zinc/32/42/91/656324291.db2.gz RWTPYRNBZYYKLS-GOSISDBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)C(C)(C)C1 ZINC000977427793 656329456 /nfs/dbraw/zinc/32/94/56/656329456.db2.gz XETOZHVWUIFNBY-QGZVFWFLSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C(C)(C)C1 ZINC000977497869 656335507 /nfs/dbraw/zinc/33/55/07/656335507.db2.gz ZVGYVFSHPBQPHZ-ULQDDVLXSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977527157 656339327 /nfs/dbraw/zinc/33/93/27/656339327.db2.gz AIAHVOPJQTXPAI-QGZVFWFLSA-N 0 3 300.446 3.320 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)C(C)(C)C1 ZINC000977555786 656342044 /nfs/dbraw/zinc/34/20/44/656342044.db2.gz HNRSFYWXICCQOT-IBGZPJMESA-N 0 3 324.468 3.029 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC000977640942 656350994 /nfs/dbraw/zinc/35/09/94/656350994.db2.gz OURBNRZVYHAKLP-AWEZNQCLSA-N 0 3 321.490 3.112 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(CF)cc2)C(C)(C)C1 ZINC000977646619 656352477 /nfs/dbraw/zinc/35/24/77/656352477.db2.gz URHLFOALDHTRMD-INIZCTEOSA-N 0 3 304.409 3.172 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(C3CC3)c2)C(C)(C)C1 ZINC000977652972 656352722 /nfs/dbraw/zinc/35/27/22/656352722.db2.gz QXBQXJCBOWGVFT-SFHVURJKSA-N 0 3 310.441 3.028 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977638978 656354342 /nfs/dbraw/zinc/35/43/42/656354342.db2.gz WNSXJKKXVXSJHP-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001027612926 656376045 /nfs/dbraw/zinc/37/60/45/656376045.db2.gz 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C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cocc3C)C[C@@H]2C1 ZINC000980151615 656456844 /nfs/dbraw/zinc/45/68/44/656456844.db2.gz NRXDPAVVVRETMT-ZNMIVQPWSA-N 0 3 322.836 3.171 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000980157260 656457509 /nfs/dbraw/zinc/45/75/09/656457509.db2.gz QCPHCMGTHAAWEY-NSHDSACASA-N 0 3 313.228 3.326 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cc(C)co3)C[C@H]2C1 ZINC000980155001 656458208 /nfs/dbraw/zinc/45/82/08/656458208.db2.gz UASVICPLMSDWGI-SOUVJXGZSA-N 0 3 322.836 3.171 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(OCC(C)C)cc2)C1 ZINC000980321768 656487467 /nfs/dbraw/zinc/48/74/67/656487467.db2.gz FNECZKWPXBWCAC-KRWDZBQOSA-N 0 3 316.445 3.054 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC000980351230 656491630 /nfs/dbraw/zinc/49/16/30/656491630.db2.gz YHMKLGVGCDFFBC-SFHVURJKSA-N 0 3 314.473 3.381 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c2ccccc12 ZINC001039401345 656494045 /nfs/dbraw/zinc/49/40/45/656494045.db2.gz 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C=CCN(C)[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC000980501918 656514680 /nfs/dbraw/zinc/51/46/80/656514680.db2.gz FCJPWAOTSVHVNP-MSOLQXFVSA-N 0 3 318.436 3.284 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC000980501221 656515382 /nfs/dbraw/zinc/51/53/82/656515382.db2.gz TVFQMRHKQJKQHZ-DLBZAZTESA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC000980554112 656525311 /nfs/dbraw/zinc/52/53/11/656525311.db2.gz XGWIXXVEEAPOBZ-LEOMRAHMSA-N 0 3 316.420 3.038 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC3CCCCC3)C[C@@H]2C1 ZINC001049098737 656562232 /nfs/dbraw/zinc/56/22/32/656562232.db2.gz MAXSDXDVRPPXOZ-YTQUADARSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)C1 ZINC001040291464 656574777 /nfs/dbraw/zinc/57/47/77/656574777.db2.gz NRVRPQJXUHTMCO-HLIPFELVSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)C1 ZINC001040411364 656586192 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C=CCN1CC[C@@H]2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)C[C@H]21 ZINC001042178475 656730874 /nfs/dbraw/zinc/73/08/74/656730874.db2.gz DPDCQHNHZIFENJ-DNVCBOLYSA-N 0 3 323.440 3.199 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001042183471 656731712 /nfs/dbraw/zinc/73/17/12/656731712.db2.gz PQTVULVDGQDORQ-OLZOCXBDSA-N 0 3 318.383 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccoc3C3CC3)C[C@@H]21 ZINC001042202009 656735060 /nfs/dbraw/zinc/73/50/60/656735060.db2.gz UHBVDKONBIJCSR-YOEHRIQHSA-N 0 3 314.429 3.270 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C[C@H]21 ZINC001042212473 656737297 /nfs/dbraw/zinc/73/72/97/656737297.db2.gz DWXVMLZYOLHHCS-RHSMWYFYSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2nc3ccccc3cc2C)CC1 ZINC000981639749 656740853 /nfs/dbraw/zinc/74/08/53/656740853.db2.gz XFWRVIIZFFPUPB-UHFFFAOYSA-N 0 3 323.440 3.267 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001050163004 656741374 /nfs/dbraw/zinc/74/13/74/656741374.db2.gz ZYTQRUKBTYYVAT-GOEBONIOSA-N 0 3 304.459 3.169 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001028110023 656741730 /nfs/dbraw/zinc/74/17/30/656741730.db2.gz BSVYCPIQOABLFO-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001028111915 656742929 /nfs/dbraw/zinc/74/29/29/656742929.db2.gz RBNLWGUIHDWEDD-GFCCVEGCSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(CC)(CC)CC)C[C@@H]21 ZINC001042290306 656748282 /nfs/dbraw/zinc/74/82/82/656748282.db2.gz PFPFYSGSVAJKTF-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccoc3CCC)C[C@@H]21 ZINC001042309921 656749443 /nfs/dbraw/zinc/74/94/43/656749443.db2.gz OSKDYCMRJGASBK-WBVHZDCISA-N 0 3 316.445 3.345 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2Cl)CC1 ZINC001052731178 656754532 /nfs/dbraw/zinc/75/45/32/656754532.db2.gz LIEPYQFREAGAFN-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)C[C@H]21 ZINC001042332153 656755694 /nfs/dbraw/zinc/75/56/94/656755694.db2.gz UGZKBHOVLSYBRT-UYAOXDASSA-N 0 3 324.468 3.370 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC000981753531 656758368 /nfs/dbraw/zinc/75/83/68/656758368.db2.gz FSQXJSCUVXLFQA-SFHVURJKSA-N 0 3 312.457 3.420 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3sccc3CC)C[C@@H]21 ZINC001042367175 656765109 /nfs/dbraw/zinc/76/51/09/656765109.db2.gz CAYBJVKACYLOFY-CVEARBPZSA-N 0 3 318.486 3.423 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3sccc3CC)C[C@@H]21 ZINC001042367176 656765165 /nfs/dbraw/zinc/76/51/65/656765165.db2.gz CAYBJVKACYLOFY-HOTGVXAUSA-N 0 3 318.486 3.423 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@H]21 ZINC001042366996 656765384 /nfs/dbraw/zinc/76/53/84/656765384.db2.gz YYQRDQKYVRXPPY-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(c4cccc(C)c4)CC3)C[C@@H]21 ZINC001042369366 656765907 /nfs/dbraw/zinc/76/59/07/656765907.db2.gz XAIKQRBVYGPOQT-MJGOQNOKSA-N 0 3 324.468 3.135 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001052774753 656767286 /nfs/dbraw/zinc/76/72/86/656767286.db2.gz IMCJTZVDNDAWSA-GNZRSQJKSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4c(cccc4C)o3)C[C@@H]21 ZINC001042376962 656768137 /nfs/dbraw/zinc/76/81/37/656768137.db2.gz YMLGUGMDWKDOME-RDJZCZTQSA-N 0 3 324.424 3.464 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc4c(cccc4C)o3)C[C@@H]21 ZINC001042376963 656768427 /nfs/dbraw/zinc/76/84/27/656768427.db2.gz YMLGUGMDWKDOME-WBVHZDCISA-N 0 3 324.424 3.464 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)C1 ZINC000981787916 656769832 /nfs/dbraw/zinc/76/98/32/656769832.db2.gz MUWDIDFOKYMFRO-KRWDZBQOSA-N 0 3 302.462 3.233 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC001052805470 656771623 /nfs/dbraw/zinc/77/16/23/656771623.db2.gz CHRXKRPWSCIXTG-SFHVURJKSA-N 0 3 312.457 3.202 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC001052860906 656777638 /nfs/dbraw/zinc/77/76/38/656777638.db2.gz ZUKMFNUROJDNRL-JKSUJKDBSA-N 0 3 318.486 3.154 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC001052867647 656779494 /nfs/dbraw/zinc/77/94/94/656779494.db2.gz NADUBXBPDQRYTB-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC000981858926 656788328 /nfs/dbraw/zinc/78/83/28/656788328.db2.gz VAHJCVXKSREBAK-UHFFFAOYSA-N 0 3 310.800 3.203 20 30 DGEDHN CC[C@](O)(CN1CC[C@]2(CC(F)(F)C2(F)F)C1)C(F)(F)F ZINC000931911281 656790786 /nfs/dbraw/zinc/79/07/86/656790786.db2.gz WBCMKWGHLBZDKJ-IUCAKERBSA-N 0 3 323.252 3.056 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)CC1 ZINC001052963336 656799155 /nfs/dbraw/zinc/79/91/55/656799155.db2.gz WIVIYSFQJNQRPG-LJQANCHMSA-N 0 3 310.441 3.172 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C2(c3ccc(C)cc3)CCC2)CC1 ZINC001052967978 656799920 /nfs/dbraw/zinc/79/99/20/656799920.db2.gz QVMXSCGUTNDONN-IBGZPJMESA-N 0 3 324.468 3.021 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(C)c2)C1 ZINC001053060412 656834051 /nfs/dbraw/zinc/83/40/51/656834051.db2.gz HGKAGJMPZLQRBX-WOJBJXKFSA-N 0 3 324.468 3.335 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CCCC2)C1 ZINC001053065341 656840716 /nfs/dbraw/zinc/84/07/16/656840716.db2.gz GBEATGYKDXUBDU-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C(CC)CC)C1 ZINC001053070697 656844883 /nfs/dbraw/zinc/84/48/83/656844883.db2.gz CLOKQZKYWLQBHY-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1=CCCC1 ZINC001054037209 656888261 /nfs/dbraw/zinc/88/82/61/656888261.db2.gz AXGXIDZDPROGII-LJQANCHMSA-N 0 3 310.441 3.216 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001054036590 656889011 /nfs/dbraw/zinc/88/90/11/656889011.db2.gz OHPOWKCGSHWGRA-QZTJIDSGSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H]3CCc4ccccc43)C2)C1 ZINC000982075629 656889249 /nfs/dbraw/zinc/88/92/49/656889249.db2.gz SIKZPDCOJWGVID-SFHVURJKSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(Cl)ccc3C)C2)C1 ZINC000982073284 656890299 /nfs/dbraw/zinc/89/02/99/656890299.db2.gz NWSYUAZWFBCRQL-UHFFFAOYSA-N 0 3 318.848 3.372 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001054051042 656893461 /nfs/dbraw/zinc/89/34/61/656893461.db2.gz SGYXHHQDFJNARN-NMLBUPMWSA-N 0 3 324.468 3.152 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001054055280 656894698 /nfs/dbraw/zinc/89/46/98/656894698.db2.gz IHVKREGZWLJWQC-RBUKOAKNSA-N 0 3 324.468 3.296 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C)s1)C2 ZINC001054074067 656902382 /nfs/dbraw/zinc/90/23/82/656902382.db2.gz DCTCXHMXUBVYOZ-SFHVURJKSA-N 0 3 316.470 3.008 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3c(C)csc3Cl)C2)C1 ZINC000982130916 656903385 /nfs/dbraw/zinc/90/33/85/656903385.db2.gz KKDNVOAOMUBKBJ-UHFFFAOYSA-N 0 3 324.877 3.434 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC1CCCCC1)C2 ZINC001054080213 656905907 /nfs/dbraw/zinc/90/59/07/656905907.db2.gz VJDFQAKEKAOOCN-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C=C)c3ccccc3)C2)C1 ZINC000982160112 656907972 /nfs/dbraw/zinc/90/79/72/656907972.db2.gz QWAQHCZMWVOHAH-SFHVURJKSA-N 0 3 310.441 3.067 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CCc3ccc(C)s3)C2)C1 ZINC000982174368 656912078 /nfs/dbraw/zinc/91/20/78/656912078.db2.gz OMSWLDLGZYUZTH-UHFFFAOYSA-N 0 3 318.486 3.100 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1C)C2 ZINC001054129293 656917016 /nfs/dbraw/zinc/91/70/16/656917016.db2.gz OIFWUFWRRAKMLR-GOSISDBHSA-N 0 3 316.470 3.008 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC1(C)CCCC1)C2 ZINC001054127656 656917398 /nfs/dbraw/zinc/91/73/98/656917398.db2.gz HFFDBAUMMCCDBL-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@]1(C)CC=CCC1)C2 ZINC001054138339 656918606 /nfs/dbraw/zinc/91/86/06/656918606.db2.gz OSMDVLNPUBECSL-UXHICEINSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC1(C)CCCCC1)C2 ZINC001054162873 656922329 /nfs/dbraw/zinc/92/23/29/656922329.db2.gz UNNOSPDHQIIURG-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001038946624 656926388 /nfs/dbraw/zinc/92/63/88/656926388.db2.gz HILAOOKXJSYVES-MRXNPFEDSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@]3(CCN(C[C@@H](F)CC)C3)C2)C1 ZINC001054194399 656932891 /nfs/dbraw/zinc/93/28/91/656932891.db2.gz OULPFYSLJYCFAM-LPHOPBHVSA-N 0 3 322.468 3.405 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028235850 656933339 /nfs/dbraw/zinc/93/33/39/656933339.db2.gz FOBKRJSXDUDUDH-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cccc(C)c3F)C[C@]2(C)C1 ZINC000982285395 656936060 /nfs/dbraw/zinc/93/60/60/656936060.db2.gz CTQITJSZTIEXHE-KDURUIRLSA-N 0 3 316.420 3.104 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccccc3C(C)C)C[C@]2(C)C1 ZINC000982292494 656937993 /nfs/dbraw/zinc/93/79/93/656937993.db2.gz LUCUZBAYLJAVNZ-OYRHEFFESA-N 0 3 324.468 3.227 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cccc(C(C)C)c1)C2 ZINC001054223903 656940673 /nfs/dbraw/zinc/94/06/73/656940673.db2.gz LNXAOJYZSYPVHN-NRFANRHFSA-N 0 3 324.468 3.371 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)cc(C)c1)C2 ZINC001054232115 656943624 /nfs/dbraw/zinc/94/36/24/656943624.db2.gz JBEIYZHYJOQBEZ-NRFANRHFSA-N 0 3 324.468 3.255 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)ccc1C)C2 ZINC001054233397 656944099 /nfs/dbraw/zinc/94/40/99/656944099.db2.gz JXWRHARDCGPSGJ-NRFANRHFSA-N 0 3 324.468 3.255 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)c1ccccc1)C2 ZINC001054237166 656945087 /nfs/dbraw/zinc/94/50/87/656945087.db2.gz RNVCWVTZSPSDFK-WIYYLYMNSA-N 0 3 324.468 3.128 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001054244316 656946812 /nfs/dbraw/zinc/94/68/12/656946812.db2.gz UJMODGWVGUWWSL-VQTJNVASSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001028255206 656947508 /nfs/dbraw/zinc/94/75/08/656947508.db2.gz IMEQWGJYVRQGRM-ZDUSSCGKSA-N 0 3 307.463 3.037 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1Cl ZINC001028263652 656952502 /nfs/dbraw/zinc/95/25/02/656952502.db2.gz VNGDZZIGUUCMIV-OAHLLOKOSA-N 0 3 318.848 3.174 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)cc2C1 ZINC001054285485 656961883 /nfs/dbraw/zinc/96/18/83/656961883.db2.gz KHIASLVDVAXPJR-RBUKOAKNSA-N 0 3 310.441 3.241 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001028279922 656967425 /nfs/dbraw/zinc/96/74/25/656967425.db2.gz XPAIEJSFRKKRPR-KRWDZBQOSA-N 0 3 300.446 3.364 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001028304512 656988153 /nfs/dbraw/zinc/98/81/53/656988153.db2.gz YYDPDYZAVHULDL-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001028311367 656990014 /nfs/dbraw/zinc/99/00/14/656990014.db2.gz MSJJJELGTVZEAM-KRWDZBQOSA-N 0 3 323.440 3.002 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001028317852 656991648 /nfs/dbraw/zinc/99/16/48/656991648.db2.gz LYNMFZMTIPZDIP-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCc2ccccc21 ZINC001028336756 656996811 /nfs/dbraw/zinc/99/68/11/656996811.db2.gz KCPOATXYZLXIJF-IEBWSBKVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCc2ccccc21 ZINC001028336758 656997229 /nfs/dbraw/zinc/99/72/29/656997229.db2.gz KCPOATXYZLXIJF-PKOBYXMFSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001028346675 657001382 /nfs/dbraw/zinc/00/13/82/657001382.db2.gz CYQWXPUVRCXEKO-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCCC[C@@H]3C)C[C@]2(C)C1 ZINC000982492741 657015793 /nfs/dbraw/zinc/01/57/93/657015793.db2.gz VSXYKMWZCTXGFC-QGZVKYPTSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc3nccc(C)c3c2)CC1 ZINC001045449094 657024602 /nfs/dbraw/zinc/02/46/02/657024602.db2.gz YALTZMMJGYJZMH-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001054977018 657027529 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C=C1CC(C)(C(=O)N2C[C@@]3(C)CN(C[C@@H](F)CC)C[C@@]3(C)C2)C1 ZINC000982533702 657045000 /nfs/dbraw/zinc/04/50/00/657045000.db2.gz HTTGNYHQOZGOPB-ZYSHUDEJSA-N 0 3 322.468 3.261 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001045649463 657049933 /nfs/dbraw/zinc/04/99/33/657049933.db2.gz MGVGRDQAISYABV-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCCC[C@@H]3CC)C[C@]2(C)C1 ZINC000982689184 657079261 /nfs/dbraw/zinc/07/92/61/657079261.db2.gz FHGOUFHRPCNKKF-QGZVKYPTSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3oc(CC)cc3C)C[C@]2(C)C1 ZINC000982735450 657085041 /nfs/dbraw/zinc/08/50/41/657085041.db2.gz HVJJXOIWPXGSDO-KDURUIRLSA-N 0 3 316.445 3.120 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001028585664 657085218 /nfs/dbraw/zinc/08/52/18/657085218.db2.gz VOFRNAABKJPRIX-OAHLLOKOSA-N 0 3 324.399 3.054 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccccc1)C2 ZINC001045909131 657086064 /nfs/dbraw/zinc/08/60/64/657086064.db2.gz 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C#CCCN1C[C@@H](C)[C@H](NC(=O)c2oc3ccccc3c2CC)C1 ZINC001081022200 688034668 /nfs/dbraw/zinc/03/46/68/688034668.db2.gz MGQDGMTVUSBDGC-RHSMWYFYSA-N 0 3 324.424 3.069 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C2(C)CCCCC2)C[C@H]1c1ccccc1 ZINC001081171138 688058010 /nfs/dbraw/zinc/05/80/10/688058010.db2.gz FGXROVPEGSKNCZ-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN CC(C)(C)O[C@H]1C[C@@H](NCC2(C#N)CCOCC2)C12CCC2 ZINC001660206106 1196457129 /nfs/dbraw/zinc/45/71/29/1196457129.db2.gz PIYPDANUIIUKIE-CABCVRRESA-N 0 3 306.450 3.023 20 30 DGEDHN CCc1ccc(Cl)c(CC)c1NC(=O)[C@H](N)CCCC#N ZINC001578259851 1191934851 /nfs/dbraw/zinc/93/48/51/1191934851.db2.gz MALAGCNDHMJAQR-CQSZACIVSA-N 0 3 307.825 3.424 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC001620573682 1191997391 /nfs/dbraw/zinc/99/73/91/1191997391.db2.gz SSQLRMCIDMBQJO-CHWSQXEVSA-N 0 3 324.346 3.378 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC001580050975 1192004702 /nfs/dbraw/zinc/00/47/02/1192004702.db2.gz UZTFSGVMXZLJHD-JTQLQIEISA-N 0 3 322.821 3.299 20 30 DGEDHN N#Cc1cc(NC(=O)[C@@H](N)CC2CCCCC2)nc2ccccc12 ZINC001580059532 1192005221 /nfs/dbraw/zinc/00/52/21/1192005221.db2.gz FIIJQNMYTQZKPR-INIZCTEOSA-N 0 3 322.412 3.343 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001584323722 1192189715 /nfs/dbraw/zinc/18/97/15/1192189715.db2.gz XRJGKWSOJCAQHM-HBFSDRIKSA-N 0 3 312.457 3.322 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588456898 1192448005 /nfs/dbraw/zinc/44/80/05/1192448005.db2.gz ZHERWFKQUHHPEV-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588456898 1192448008 /nfs/dbraw/zinc/44/80/08/1192448008.db2.gz ZHERWFKQUHHPEV-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588456898 1192448010 /nfs/dbraw/zinc/44/80/10/1192448010.db2.gz ZHERWFKQUHHPEV-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588456898 1192448011 /nfs/dbraw/zinc/44/80/11/1192448011.db2.gz ZHERWFKQUHHPEV-OKILXGFUSA-N 0 3 315.808 3.203 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588539370 1192449502 /nfs/dbraw/zinc/44/95/02/1192449502.db2.gz IUMCIVJAVGANFV-NSHDSACASA-N 0 3 303.385 3.259 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588539370 1192449509 /nfs/dbraw/zinc/44/95/09/1192449509.db2.gz IUMCIVJAVGANFV-NSHDSACASA-N 0 3 303.385 3.259 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588558676 1192449595 /nfs/dbraw/zinc/44/95/95/1192449595.db2.gz BPLQVCQFHVMOEB-NVXWUHKLSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588558676 1192449608 /nfs/dbraw/zinc/44/96/08/1192449608.db2.gz BPLQVCQFHVMOEB-NVXWUHKLSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588559956 1192449993 /nfs/dbraw/zinc/44/99/93/1192449993.db2.gz MLRVHEAWBQJOMF-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588559956 1192449996 /nfs/dbraw/zinc/44/99/96/1192449996.db2.gz MLRVHEAWBQJOMF-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001589037202 1192456168 /nfs/dbraw/zinc/45/61/68/1192456168.db2.gz APDJSLAEIGRKBT-SFHVURJKSA-N 0 3 311.429 3.495 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001690969480 1176049138 /nfs/dbraw/zinc/04/91/38/1176049138.db2.gz MLAZTXJSZYHBLP-MRXNPFEDSA-N 0 3 304.409 3.073 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)CCOC2CCCCCC2)C1 ZINC001690976659 1176058301 /nfs/dbraw/zinc/05/83/01/1176058301.db2.gz QHVJXTBLFCVSGE-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)[C@H]1C ZINC001691769918 1176062510 /nfs/dbraw/zinc/06/25/10/1176062510.db2.gz YRTVNYSEMNHOBE-FHLIZLRMSA-N 0 3 318.436 3.330 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cc(C)ns1)C1CC1 ZINC001670527536 1176161042 /nfs/dbraw/zinc/16/10/42/1176161042.db2.gz ISXLVJSZBRBLSJ-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN(CCNC(=O)c1sc(C)nc1CC(C)C)C1CC1 ZINC001266600526 1176182040 /nfs/dbraw/zinc/18/20/40/1176182040.db2.gz YCZSLHWMGBSELY-UHFFFAOYSA-N 0 3 321.490 3.030 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001670655930 1176203600 /nfs/dbraw/zinc/20/36/00/1176203600.db2.gz DHBTWSDWDFQGQK-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001670682772 1176215045 /nfs/dbraw/zinc/21/50/45/1176215045.db2.gz VSDPVEYWGVKMRB-PKOBYXMFSA-N 0 3 314.473 3.487 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](CCC)c1ccccn1 ZINC001670683127 1176215988 /nfs/dbraw/zinc/21/59/88/1176215988.db2.gz ZNWZZLIGOSVHPB-SJORKVTESA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001597314598 1192727568 /nfs/dbraw/zinc/72/75/68/1192727568.db2.gz RPQXOPWXJLJCIG-OAHLLOKOSA-N 0 3 304.459 3.035 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cscn2)C1 ZINC001772541447 1176272623 /nfs/dbraw/zinc/27/26/23/1176272623.db2.gz CCDQISAPIHHPJM-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN Cc1cc(CN(C)CCCN(C)C(=O)C#CC(C)(C)C)cs1 ZINC001724852204 1176272794 /nfs/dbraw/zinc/27/27/94/1176272794.db2.gz QJHPZRCIONLMKI-UHFFFAOYSA-N 0 3 320.502 3.386 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1CCCCC(F)(F)F ZINC001691069137 1176292161 /nfs/dbraw/zinc/29/21/61/1176292161.db2.gz HOZDCUWCOITJHA-CYBMUJFWSA-N 0 3 306.372 3.266 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)c(OC)c1 ZINC001691069922 1176292514 /nfs/dbraw/zinc/29/25/14/1176292514.db2.gz RNSAPESYQVLHFO-KRWDZBQOSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccc(F)cc1F ZINC001691072166 1176293388 /nfs/dbraw/zinc/29/33/88/1176293388.db2.gz VBXKYDPOPWKCMW-HIFRSBDPSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN1Cc1cccc(OC)c1 ZINC001691094590 1176306878 /nfs/dbraw/zinc/30/68/78/1176306878.db2.gz IAMOGYADAUXERU-KRWDZBQOSA-N 0 3 316.445 3.132 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001691109744 1176319666 /nfs/dbraw/zinc/31/96/66/1176319666.db2.gz WJESHYZILIXNFT-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001691173814 1176358051 /nfs/dbraw/zinc/35/80/51/1176358051.db2.gz LVWYGLZZCFRAEH-QGZVFWFLSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001266876039 1176368447 /nfs/dbraw/zinc/36/84/47/1176368447.db2.gz FIMBSMXLTRYETE-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC001691772725 1176377076 /nfs/dbraw/zinc/37/70/76/1176377076.db2.gz NWFDIZFWTVNHHM-AWEZNQCLSA-N 0 3 316.788 3.017 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001691198296 1176378756 /nfs/dbraw/zinc/37/87/56/1176378756.db2.gz OZTYFZODOPYRJX-HNNXBMFYSA-N 0 3 320.864 3.295 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC001691778759 1176401827 /nfs/dbraw/zinc/40/18/27/1176401827.db2.gz YZGOOECQLJFKHF-INIZCTEOSA-N 0 3 302.393 3.417 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@@H](NCC1=CCCCC1)c1ccccc1 ZINC001691778813 1176402654 /nfs/dbraw/zinc/40/26/54/1176402654.db2.gz ZZMATIOJCRJWEW-CRAIPNDOSA-N 0 3 311.429 3.094 20 30 DGEDHN C=CCN(CCNC(=O)c1coc2ccc(Cl)cc12)C1CC1 ZINC001691235333 1176407090 /nfs/dbraw/zinc/40/70/90/1176407090.db2.gz SBPZOORCAWOSHH-UHFFFAOYSA-N 0 3 318.804 3.466 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H](CC)C(C)C)C2)CC1 ZINC001691277136 1176421048 /nfs/dbraw/zinc/42/10/48/1176421048.db2.gz PSPYTKFCZVWIJD-MSOLQXFVSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCNCc1ccc(C(C)C)nc1C ZINC001691334514 1176443580 /nfs/dbraw/zinc/44/35/80/1176443580.db2.gz WPZCVSQNQNLFBK-UHFFFAOYSA-N 0 3 317.477 3.418 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001691392166 1176464618 /nfs/dbraw/zinc/46/46/18/1176464618.db2.gz KQOYKDKUXREOCC-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001691406479 1176471660 /nfs/dbraw/zinc/47/16/60/1176471660.db2.gz OBQBDVAATJNRPC-UKRRQHHQSA-N 0 3 319.449 3.046 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC001691416079 1176475242 /nfs/dbraw/zinc/47/52/42/1176475242.db2.gz CTVZZKXOBGKBLD-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001691412344 1176476362 /nfs/dbraw/zinc/47/63/62/1176476362.db2.gz GJVPVBLTRSWYIG-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN Cc1cc(CN(C)[C@H]2CCCN(C(=O)C#CC(C)C)C2)cs1 ZINC001267106708 1176513472 /nfs/dbraw/zinc/51/34/72/1176513472.db2.gz VAZJZZFUNSFWAP-KRWDZBQOSA-N 0 3 318.486 3.139 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC(CC)CC)C(C)(C)[C@H]21 ZINC001691429571 1176533953 /nfs/dbraw/zinc/53/39/53/1176533953.db2.gz ZZSAXTBATHKIGG-NJAFHUGGSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCC(F)(F)C1)C(C)C ZINC001725730518 1176605432 /nfs/dbraw/zinc/60/54/32/1176605432.db2.gz UWQWRHDNXYCKSK-CQSZACIVSA-N 0 3 302.409 3.167 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001752124360 1176669349 /nfs/dbraw/zinc/66/93/49/1176669349.db2.gz JWADFNJAOGKQTQ-MRXNPFEDSA-N 0 3 300.446 3.275 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCC(C)(F)F)cc1 ZINC001754948091 1176713434 /nfs/dbraw/zinc/71/34/34/1176713434.db2.gz VXDRIGQNYRSOLL-ZDUSSCGKSA-N 0 3 308.372 3.022 20 30 DGEDHN Cc1ccccc1CN1CC[C@](C)(NC(=O)C#CC(C)(C)C)C1 ZINC001671645310 1176812777 /nfs/dbraw/zinc/81/27/77/1176812777.db2.gz WGZUJXBPBWBETH-FQEVSTJZSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001752531633 1176886266 /nfs/dbraw/zinc/88/62/66/1176886266.db2.gz BJLPOTWBVIUXJE-YUELXQCFSA-N 0 3 319.474 3.095 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001755501619 1177048696 /nfs/dbraw/zinc/04/86/96/1177048696.db2.gz CZIAOUSPOXMTQW-QWHCGFSZSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001691541209 1177301573 /nfs/dbraw/zinc/30/15/73/1177301573.db2.gz NTMHUONXJXYMSH-XEZPLFJOSA-N 0 3 324.827 3.166 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC(C)(C)CC)C1 ZINC001670922265 1177544654 /nfs/dbraw/zinc/54/46/54/1177544654.db2.gz AUPMEMYRPWWJKV-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCc1ccc(C)cc1 ZINC001691656473 1177594393 /nfs/dbraw/zinc/59/43/93/1177594393.db2.gz JKJOBJWVKSFQCR-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001691660775 1177603687 /nfs/dbraw/zinc/60/36/87/1177603687.db2.gz FVMUNGRPRALODK-DOTOQJQBSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001691665424 1177616942 /nfs/dbraw/zinc/61/69/42/1177616942.db2.gz DPVOSHJTMBRPTF-GSEOLPGOSA-N 0 3 324.468 3.071 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001691665466 1177617835 /nfs/dbraw/zinc/61/78/35/1177617835.db2.gz FFRANOOXOKZPGV-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@H](C)NCc2cnc(C)o2)CC1 ZINC001691667249 1177621684 /nfs/dbraw/zinc/62/16/84/1177621684.db2.gz OHPKPADFEYQBDK-AWEZNQCLSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1sccc1C ZINC001691674476 1177670912 /nfs/dbraw/zinc/67/09/12/1177670912.db2.gz GERGJWFYQJERAF-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001691683866 1177685505 /nfs/dbraw/zinc/68/55/05/1177685505.db2.gz UJQDLHMZHGIZCX-DOMZBBRYSA-N 0 3 321.490 3.261 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)CCCCC)C2)C1 ZINC001671084683 1177774002 /nfs/dbraw/zinc/77/40/02/1177774002.db2.gz FRNYWMQGJWJLDD-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1ccccc1F ZINC001182442777 1177818151 /nfs/dbraw/zinc/81/81/51/1177818151.db2.gz SAXYYCMVAHQMLK-LSDHHAIUSA-N 0 3 316.420 3.127 20 30 DGEDHN CC[C@H](C)C(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001691701703 1177846000 /nfs/dbraw/zinc/84/60/00/1177846000.db2.gz QHFWOZBKFIYFIQ-SFHVURJKSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)CCc2ccccc2F)[C@H]1C ZINC001691722219 1177887234 /nfs/dbraw/zinc/88/72/34/1177887234.db2.gz DVGNORWMKNJRKW-RKVPGOIHSA-N 0 3 318.436 3.159 20 30 DGEDHN C[C@H](CN(C)C(=O)CC1CCCC1)NCc1ccc(C#N)s1 ZINC001331376505 1178198780 /nfs/dbraw/zinc/19/87/80/1178198780.db2.gz LWJMRNWGGNGVSH-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C[C@@H](CN(C)C(=O)C#CC(C)(C)C)N[C@@H](C)c1ccccc1F ZINC001331440567 1178214757 /nfs/dbraw/zinc/21/47/57/1178214757.db2.gz SVADMHBTXKAEPO-GJZGRUSLSA-N 0 3 318.436 3.373 20 30 DGEDHN C[C@H](CN(C)C(=O)CCCC1CC1)NCc1ccc(C#N)s1 ZINC001331528637 1178234777 /nfs/dbraw/zinc/23/47/77/1178234777.db2.gz FKLKZINKLGDQLB-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN CCC(CC)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001331596097 1178256193 /nfs/dbraw/zinc/25/61/93/1178256193.db2.gz AYMDADVNUHPGCG-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001331990582 1178328974 /nfs/dbraw/zinc/32/89/74/1178328974.db2.gz KFQIOOVYYJVBIC-UKRRQHHQSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)C(C)(F)F)[C@@H]1C ZINC001332162888 1178375751 /nfs/dbraw/zinc/37/57/51/1178375751.db2.gz YMPAQLBFECNSCG-UONOGXRCSA-N 0 3 302.409 3.357 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccsc2)[C@@H]1C ZINC001332185224 1178385047 /nfs/dbraw/zinc/38/50/47/1178385047.db2.gz OIQSTJXIVIBKPD-HOCLYGCPSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C[C@H]1CC[C@H](C)O1)C(C)C ZINC001332707699 1178479620 /nfs/dbraw/zinc/47/96/20/1178479620.db2.gz PJFNRWFQSCODED-DLBZAZTESA-N 0 3 324.509 3.325 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC001332735368 1178487268 /nfs/dbraw/zinc/48/72/68/1178487268.db2.gz MSTXNPGSSPGKBW-MSOLQXFVSA-N 0 3 324.509 3.183 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2(C3CCCCC3)CC2)CC1 ZINC001333004003 1178538345 /nfs/dbraw/zinc/53/83/45/1178538345.db2.gz GFLBOQWTLRXWEH-INIZCTEOSA-N 0 3 316.489 3.197 20 30 DGEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)CC2(CCOCC2)O1 ZINC001333016639 1178541178 /nfs/dbraw/zinc/54/11/78/1178541178.db2.gz ISTFDSJYNWCTNT-INIZCTEOSA-N 0 3 306.450 3.120 20 30 DGEDHN CN(C(=O)CC(C)(C)C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333034992 1178543697 /nfs/dbraw/zinc/54/36/97/1178543697.db2.gz HEJLAAZQUQRWEY-UHFFFAOYSA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC001333418344 1178603254 /nfs/dbraw/zinc/60/32/54/1178603254.db2.gz YEKFKPSNWXZWCV-KRWDZBQOSA-N 0 3 312.457 3.423 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C(C)(C)C(=C)C)c(F)c1 ZINC001333473744 1178610492 /nfs/dbraw/zinc/61/04/92/1178610492.db2.gz RTMHVXPSDZUEHE-UHFFFAOYSA-N 0 3 304.409 3.320 20 30 DGEDHN N#CC[C@@H](O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001333891162 1178691837 /nfs/dbraw/zinc/69/18/37/1178691837.db2.gz QZLQQKJHKUFPKQ-MSOLQXFVSA-N 0 3 316.351 3.113 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1N1CCCCC1 ZINC001341513742 1179020848 /nfs/dbraw/zinc/02/08/48/1179020848.db2.gz CWHQHCXMIPTICL-HNNXBMFYSA-N 0 3 301.434 3.299 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001341578656 1179031541 /nfs/dbraw/zinc/03/15/41/1179031541.db2.gz DVWODEAKLYGIIT-XOKHGSTOSA-N 0 3 304.409 3.419 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001341609250 1179037640 /nfs/dbraw/zinc/03/76/40/1179037640.db2.gz HYHWPBBCGPFJST-YESZJQIVSA-N 0 3 310.482 3.092 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC001341714230 1179052218 /nfs/dbraw/zinc/05/22/18/1179052218.db2.gz MZKSDEFMOXGSOX-QWHCGFSZSA-N 0 3 309.479 3.217 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001341860115 1179071824 /nfs/dbraw/zinc/07/18/24/1179071824.db2.gz FOIDKHQVOMVYTC-IXDOHACOSA-N 0 3 312.498 3.384 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001342163104 1179111682 /nfs/dbraw/zinc/11/16/82/1179111682.db2.gz KUFKLBCXMYQIPG-KBPBESRZSA-N 0 3 310.344 3.095 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001343402635 1179267817 /nfs/dbraw/zinc/26/78/17/1179267817.db2.gz AROZHXDIHYCYMH-TZMCWYRMSA-N 0 3 313.426 3.345 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC=CCC2)c1 ZINC001343492203 1179284775 /nfs/dbraw/zinc/28/47/75/1179284775.db2.gz VXAJUEPCLOGQKD-CJNGLKHVSA-N 0 3 312.369 3.089 20 30 DGEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccccc1Cl ZINC001344544291 1179449028 /nfs/dbraw/zinc/44/90/28/1179449028.db2.gz VFAYGLNGDKQFCV-NEPJUHHUSA-N 0 3 302.761 3.344 20 30 DGEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)Nc1ccccc1Cl ZINC001344544297 1179449432 /nfs/dbraw/zinc/44/94/32/1179449432.db2.gz VFAYGLNGDKQFCV-RYUDHWBXSA-N 0 3 302.761 3.344 20 30 DGEDHN Cc1cccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC001344543087 1179449472 /nfs/dbraw/zinc/44/94/72/1179449472.db2.gz QWPMQPLZHHGBRB-LLVKDONJSA-N 0 3 313.744 3.005 20 30 DGEDHN C=C1CCC(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001344889319 1179492797 /nfs/dbraw/zinc/49/27/97/1179492797.db2.gz BUISDUMFHQQHGB-OAHLLOKOSA-N 0 3 321.852 3.296 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001346085542 1179650557 /nfs/dbraw/zinc/65/05/57/1179650557.db2.gz GHVQSEGGMPJMJX-OALUTQOASA-N 0 3 308.425 3.375 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccccc1OC ZINC001346097069 1179653336 /nfs/dbraw/zinc/65/33/36/1179653336.db2.gz WZTQEQBIECXNHV-ZFWWWQNUSA-N 0 3 311.385 3.282 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001346492827 1179711079 /nfs/dbraw/zinc/71/10/79/1179711079.db2.gz MLWHOMLAFJOASV-HZPDHXFCSA-N 0 3 319.836 3.415 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001346492825 1179711599 /nfs/dbraw/zinc/71/15/99/1179711599.db2.gz MLWHOMLAFJOASV-CVEARBPZSA-N 0 3 319.836 3.415 20 30 DGEDHN C#CCCCCCC[NH2+]C(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001602711125 1192995302 /nfs/dbraw/zinc/99/53/02/1192995302.db2.gz IDWRMAOXJBXDNL-UHFFFAOYSA-N 0 3 311.433 3.275 20 30 DGEDHN C#CCCCCCC[NH2+]C(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001602711125 1192995304 /nfs/dbraw/zinc/99/53/04/1192995304.db2.gz IDWRMAOXJBXDNL-UHFFFAOYSA-N 0 3 311.433 3.275 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@H]1CCN(CC)C[C@@H]1O ZINC001100083186 1180365912 /nfs/dbraw/zinc/36/59/12/1180365912.db2.gz OIQPGCLSWYTFDQ-IRXDYDNUSA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CCCC(C)(C)C)C1 ZINC001100185983 1180429062 /nfs/dbraw/zinc/42/90/62/1180429062.db2.gz VAKSLZHBWXGSTB-UHFFFAOYSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001480447521 1180466627 /nfs/dbraw/zinc/46/66/27/1180466627.db2.gz PXGOKIRPXYFDDD-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Br)CN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001200243466 1180479089 /nfs/dbraw/zinc/47/90/89/1180479089.db2.gz IKWXXZJDZJTCOY-DZGCQCFKSA-N 0 3 309.251 3.320 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC001353291801 1180520172 /nfs/dbraw/zinc/52/01/72/1180520172.db2.gz RSLOVPXZLQWASL-CQSZACIVSA-N 0 3 321.446 3.082 20 30 DGEDHN Cc1sc(NC(=S)NCCN2CCCCC2)c(C#N)c1C ZINC001200417779 1180625837 /nfs/dbraw/zinc/62/58/37/1180625837.db2.gz DMZTYQAZNHRSPN-UHFFFAOYSA-N 0 3 322.503 3.009 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 ZINC001353747937 1180640211 /nfs/dbraw/zinc/64/02/11/1180640211.db2.gz ARKPQIYLXQSDFF-GXTWGEPZSA-N 0 3 321.490 3.225 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC001353845652 1180662521 /nfs/dbraw/zinc/66/25/21/1180662521.db2.gz VBGWQTGCMAYGMK-HUUCEWRRSA-N 0 3 322.836 3.354 20 30 DGEDHN CCC1(C(=O)NCC2CC(NCC#Cc3ccccc3)C2)CCC1 ZINC001100591913 1180829606 /nfs/dbraw/zinc/82/96/06/1180829606.db2.gz WBZZPKHJHFTBPH-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200783573 1180904674 /nfs/dbraw/zinc/90/46/74/1180904674.db2.gz SEUGYUQXGUWDGV-BENRWUELSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](CC)c1cccc(OC)c1 ZINC001356293513 1181170987 /nfs/dbraw/zinc/17/09/87/1181170987.db2.gz JEOKPQUBZGJNMM-DLBZAZTESA-N 0 3 304.434 3.288 20 30 DGEDHN N#CCn1c(C(=O)C(C#N)c2cccc(F)n2)cc2ccccc21 ZINC001357599498 1181412877 /nfs/dbraw/zinc/41/28/77/1181412877.db2.gz VYCCNOPBAFKISV-ZDUSSCGKSA-N 0 3 318.311 3.189 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC001358052397 1181450205 /nfs/dbraw/zinc/45/02/05/1181450205.db2.gz ORWIEPRNGJGUIG-INIZCTEOSA-N 0 3 312.417 3.316 20 30 DGEDHN Cc1cccnc1[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC001358453183 1181495632 /nfs/dbraw/zinc/49/56/32/1181495632.db2.gz ONLYCSKOSHQGOS-GDBMZVCRSA-N 0 3 316.449 3.005 20 30 DGEDHN N#Cc1c(F)cccc1NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001364250983 1181679731 /nfs/dbraw/zinc/67/97/31/1181679731.db2.gz MTNNABPTCKMRPI-KSSFIOAISA-N 0 3 317.408 3.000 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001448872442 1182216631 /nfs/dbraw/zinc/21/66/31/1182216631.db2.gz AAEQWDMRTDHWHR-RDJZCZTQSA-N 0 3 318.461 3.302 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001448883599 1182217009 /nfs/dbraw/zinc/21/70/09/1182217009.db2.gz OYMYKTJAVYSHEC-OAHLLOKOSA-N 0 3 322.880 3.485 20 30 DGEDHN Cc1cc(N2CCN(Cc3ccccc3)C(C)(C)C2)ncc1C#N ZINC001458162599 1182500789 /nfs/dbraw/zinc/50/07/89/1182500789.db2.gz QEFNQHPRFMRQGT-UHFFFAOYSA-N 0 3 320.440 3.363 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN(C3CCCC3)[C@H](C)C2)c1C#N ZINC001458604517 1182543513 /nfs/dbraw/zinc/54/35/13/1182543513.db2.gz PKZDRUFKHOCLNX-GFCCVEGCSA-N 0 3 318.852 3.368 20 30 DGEDHN N#Cc1ccc(N2CCN(CC3CC4(CCC4)C3)CC2)c(F)c1 ZINC001459440091 1182587079 /nfs/dbraw/zinc/58/70/79/1182587079.db2.gz XJEXYKGDRLFOMO-UHFFFAOYSA-N 0 3 313.420 3.400 20 30 DGEDHN COCC#CCN1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001459527561 1182591583 /nfs/dbraw/zinc/59/15/83/1182591583.db2.gz MDTYQQSURICHAZ-HNNXBMFYSA-N 0 3 321.848 3.253 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459741510 1182611905 /nfs/dbraw/zinc/61/19/05/1182611905.db2.gz KTDTYNSJLWRRFQ-UONOGXRCSA-N 0 3 319.836 3.187 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001459808582 1182617843 /nfs/dbraw/zinc/61/78/43/1182617843.db2.gz LLEAYCWOKHXROI-XCRHUMRWSA-N 0 3 319.424 3.309 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@]1(C)C1CCCCC1 ZINC001460688934 1182707337 /nfs/dbraw/zinc/70/73/37/1182707337.db2.gz XRYCIRUHLRJZLT-QAPCUYQASA-N 0 3 305.466 3.039 20 30 DGEDHN N#CC1(CCCCN[C@H](CO)c2cc(F)ccc2F)CCC1 ZINC001460953728 1182746172 /nfs/dbraw/zinc/74/61/72/1182746172.db2.gz RPIANRNTRHXLSM-MRXNPFEDSA-N 0 3 308.372 3.452 20 30 DGEDHN CSc1ccc(CNCc2cccc3n[nH]cc32)cc1C#N ZINC001461751837 1182848871 /nfs/dbraw/zinc/84/88/71/1182848871.db2.gz GTEANPUPFLUDNC-UHFFFAOYSA-N 0 3 308.410 3.446 20 30 DGEDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(CC#N)cc2)c1[O-] ZINC001462379463 1182944303 /nfs/dbraw/zinc/94/43/03/1182944303.db2.gz DKMGKBXNWCWKAU-UHFFFAOYSA-N 0 3 316.788 3.410 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1ccc(Cl)cc1 ZINC001467727394 1183284293 /nfs/dbraw/zinc/28/42/93/1183284293.db2.gz FAHWDAMFVIMJBD-UHFFFAOYSA-N 0 3 324.852 3.075 20 30 DGEDHN C#CCN(C)CCCNC(=O)C1=C(c2ccccc2)CCCC1 ZINC001468546432 1183340849 /nfs/dbraw/zinc/34/08/49/1183340849.db2.gz VLXHSIPCPUXOBL-UHFFFAOYSA-N 0 3 310.441 3.086 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001469317860 1183399841 /nfs/dbraw/zinc/39/98/41/1183399841.db2.gz NIXCTCWXATYXFI-WBVHZDCISA-N 0 3 315.461 3.161 20 30 DGEDHN CCCN(Cc1cc(C#N)ccn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001473176054 1183724172 /nfs/dbraw/zinc/72/41/72/1183724172.db2.gz RQBQLUOGRFMOHX-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN CC1(C)[C@H](NCc2cc(C#N)ccn2)C[C@@H]1OCc1ccccc1 ZINC001473483765 1183762415 /nfs/dbraw/zinc/76/24/15/1183762415.db2.gz PEMMIEAADMKHRH-MOPGFXCFSA-N 0 3 321.424 3.427 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@H](C4CCCC4)C3)C2=O)cc1 ZINC001473567833 1183775158 /nfs/dbraw/zinc/77/51/58/1183775158.db2.gz ZCGXOJCAZRSTBG-PKOBYXMFSA-N 0 3 323.440 3.176 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCN([C@H](C)CC)CC1 ZINC001474524771 1183935222 /nfs/dbraw/zinc/93/52/22/1183935222.db2.gz BJSKRIXEKMCQMM-OAHLLOKOSA-N 0 3 320.864 3.268 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001477803692 1184112530 /nfs/dbraw/zinc/11/25/30/1184112530.db2.gz VFJBPQIKKKTXJS-FVQHAEBGSA-N 0 3 321.509 3.398 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC001478735288 1184171589 /nfs/dbraw/zinc/17/15/89/1184171589.db2.gz HOLXRUANOVXEHO-GOSISDBHSA-N 0 3 319.493 3.086 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001479228678 1184212940 /nfs/dbraw/zinc/21/29/40/1184212940.db2.gz UQBRHUGAVARCJG-INIZCTEOSA-N 0 3 304.434 3.317 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCC[C@H]2CC)C1 ZINC001479302410 1184229304 /nfs/dbraw/zinc/22/93/04/1184229304.db2.gz METRKOWLFSRQCE-AIANPOQGSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001479338214 1184237204 /nfs/dbraw/zinc/23/72/04/1184237204.db2.gz SVUOGJFWEYZBPU-BNOWGMLFSA-N 0 3 310.825 3.010 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001479391832 1184243415 /nfs/dbraw/zinc/24/34/15/1184243415.db2.gz ODOGCWUUERDWEF-SHTZXODSSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC[C@@H](F)CC ZINC001479559151 1184269055 /nfs/dbraw/zinc/26/90/55/1184269055.db2.gz GJMFNYWWGBAFFZ-IKGGRYGDSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2ccns2)[C@@H]1CC ZINC001479641164 1184282601 /nfs/dbraw/zinc/28/26/01/1184282601.db2.gz OPNXAEFCKVVEPP-JKSUJKDBSA-N 0 3 321.490 3.011 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCC2CCCC2)[C@H]1CC ZINC001479647210 1184284072 /nfs/dbraw/zinc/28/40/72/1184284072.db2.gz FOMBYGKMXWDXJQ-ZWKOTPCHSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001479699586 1184294157 /nfs/dbraw/zinc/29/41/57/1184294157.db2.gz NRTVMMDNMXVEKW-AEFFLSMTSA-N 0 3 300.446 3.349 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)CC2(C)CCCCC2)[C@H]1C ZINC001479712856 1184296197 /nfs/dbraw/zinc/29/61/97/1184296197.db2.gz UNESVDKZJHGZED-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CN(C)C[C@H]1CCCCO1 ZINC001479735398 1184305489 /nfs/dbraw/zinc/30/54/89/1184305489.db2.gz RDJZIAZRRVGVKG-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1 ZINC001479738812 1184308252 /nfs/dbraw/zinc/30/82/52/1184308252.db2.gz KRLLCRHBGZUTKW-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001479987686 1184403850 /nfs/dbraw/zinc/40/38/50/1184403850.db2.gz DDCODBIEBQKMEH-KRWDZBQOSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc[nH]c2CCC)CC1 ZINC001479994108 1184405503 /nfs/dbraw/zinc/40/55/03/1184405503.db2.gz DDMRECCHARPFST-UHFFFAOYSA-N 0 3 317.477 3.470 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001480041726 1184415643 /nfs/dbraw/zinc/41/56/43/1184415643.db2.gz UUTFSPKOBGLYDV-GOSISDBHSA-N 0 3 316.420 3.004 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001480095078 1184433073 /nfs/dbraw/zinc/43/30/73/1184433073.db2.gz UKZMNVOKSRUQJE-KHHDSSOXSA-N 0 3 302.462 3.062 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C/C=C/Cc1ccccc1 ZINC001480097556 1184434489 /nfs/dbraw/zinc/43/44/89/1184434489.db2.gz GKLNSTSHZLFYFC-SCSYBTMDSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001480102806 1184435925 /nfs/dbraw/zinc/43/59/25/1184435925.db2.gz QZEJEJGNCUHKMF-QRQLOZEOSA-N 0 3 312.457 3.432 20 30 DGEDHN CC1(C)CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480152043 1184445143 /nfs/dbraw/zinc/44/51/43/1184445143.db2.gz LQHOOQCMLUFCSY-GUDVDZBRSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001480217734 1184462014 /nfs/dbraw/zinc/46/20/14/1184462014.db2.gz DGTRHTNTAYHCKT-OAGGEKHMSA-N 0 3 316.420 3.317 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1cncc(C)c1 ZINC001480359762 1184504036 /nfs/dbraw/zinc/50/40/36/1184504036.db2.gz QGDXNJLBERMEQJ-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001480660136 1184568175 /nfs/dbraw/zinc/56/81/75/1184568175.db2.gz XYSDLDHRZXKNLK-CQSZACIVSA-N 0 3 322.399 3.259 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC001480742897 1184596369 /nfs/dbraw/zinc/59/63/69/1184596369.db2.gz RZIMJDNWAQZBNL-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cc(C)ccc1C ZINC001480790324 1184609035 /nfs/dbraw/zinc/60/90/35/1184609035.db2.gz NRDJIMGETNZTAU-OAHLLOKOSA-N 0 3 308.853 3.083 20 30 DGEDHN C#CCC1(C(=O)NCCC[C@@H]2CCCN2CCF)CCCCC1 ZINC001480833873 1184626350 /nfs/dbraw/zinc/62/63/50/1184626350.db2.gz ZFJUEVWSJNTCET-QGZVFWFLSA-N 0 3 322.468 3.291 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001493108368 1184651109 /nfs/dbraw/zinc/65/11/09/1184651109.db2.gz OPKHZGOOZYUHCX-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001493272037 1184679268 /nfs/dbraw/zinc/67/92/68/1184679268.db2.gz SUPHBTWQUGCEBC-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001493296154 1184682775 /nfs/dbraw/zinc/68/27/75/1184682775.db2.gz HUWGRKNMPQUFFB-WGSAOQKQSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc(C(F)F)c1F)C1CC1 ZINC001493372789 1184696309 /nfs/dbraw/zinc/69/63/09/1184696309.db2.gz QDESREFGXNKPIG-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(-c2ccccc2)ccn1)C1CC1 ZINC001493429068 1184705983 /nfs/dbraw/zinc/70/59/83/1184705983.db2.gz PZHQEKPCUMGZMT-UHFFFAOYSA-N 0 3 321.424 3.129 20 30 DGEDHN CCC(CC)(CC)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493743364 1184733190 /nfs/dbraw/zinc/73/31/90/1184733190.db2.gz GYKGAXVSEHECNK-UHFFFAOYSA-N 0 3 321.490 3.384 20 30 DGEDHN C=CCCC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001493856985 1184750977 /nfs/dbraw/zinc/75/09/77/1184750977.db2.gz FYNQRNICCMUIOQ-UHFFFAOYSA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(C(C)C)no1)c1ccccc1 ZINC001493898898 1184761185 /nfs/dbraw/zinc/76/11/85/1184761185.db2.gz MIVJHUNXLBKYJQ-INIZCTEOSA-N 0 3 313.401 3.045 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@H](CN(C)CCF)C1)c1ccccc1 ZINC001494178183 1184825187 /nfs/dbraw/zinc/82/51/87/1184825187.db2.gz GYWCSRXYNQRJSL-SJLPKXTDSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001494312407 1184850964 /nfs/dbraw/zinc/85/09/64/1184850964.db2.gz IYSVDEHEHOEFOR-SFHVURJKSA-N 0 3 318.436 3.305 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(CC/C=C/c3ccccc3)C2)C1 ZINC001494593137 1184892764 /nfs/dbraw/zinc/89/27/64/1184892764.db2.gz OFRXUDCJUIZUNV-UXBLZVDNSA-N 0 3 324.468 3.494 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C ZINC001494640484 1184898444 /nfs/dbraw/zinc/89/84/44/1184898444.db2.gz ZRLMVNBVMBWVTE-KKUMJFAQSA-N 0 3 304.459 3.310 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC/C=C/c2ccccc2)C1 ZINC001494911204 1184961612 /nfs/dbraw/zinc/96/16/12/1184961612.db2.gz SVVUEDOHJMIWRC-CWUFLNSKSA-N 0 3 324.468 3.426 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC(C2CC2)C2CC2)C1 ZINC001494925833 1184964131 /nfs/dbraw/zinc/96/41/31/1184964131.db2.gz UGEXWIWEOYCTPO-KRWDZBQOSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCCC2CCCC2)C1 ZINC001494923819 1184964223 /nfs/dbraw/zinc/96/42/23/1184964223.db2.gz IESLLGCQRKAFSY-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)C(C)(F)F)CCCC[C@H]1C ZINC001495314060 1185027034 /nfs/dbraw/zinc/02/70/34/1185027034.db2.gz OCNCESKQJFNSRV-QMTHXVAHSA-N 0 3 308.800 3.049 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001495439006 1185053168 /nfs/dbraw/zinc/05/31/68/1185053168.db2.gz FUCNVPYKSIQWDE-IYARVYRRSA-N 0 3 313.445 3.121 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)cc1 ZINC001495491593 1185063573 /nfs/dbraw/zinc/06/35/73/1185063573.db2.gz GAHIUADYWAAZGE-VQIMIIECSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)cc2)CCCC1 ZINC001495960175 1185118617 /nfs/dbraw/zinc/11/86/17/1185118617.db2.gz QWNSKFSGBRRGRQ-UHFFFAOYSA-N 0 3 306.837 3.380 20 30 DGEDHN CCCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001496005052 1185124289 /nfs/dbraw/zinc/12/42/89/1185124289.db2.gz UYAZAQDKHIXBAC-HNNXBMFYSA-N 0 3 320.864 3.318 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C1(C)CCCC1 ZINC001496124965 1185137353 /nfs/dbraw/zinc/13/73/53/1185137353.db2.gz ICAGJQFWGFONDC-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2ccccn2)CC(C)C)C1 ZINC001496287227 1185160038 /nfs/dbraw/zinc/16/00/38/1185160038.db2.gz PHWANPOOFHFYMO-KRWDZBQOSA-N 0 3 315.461 3.058 20 30 DGEDHN C/C(=C\C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C)C1CC1 ZINC001496530440 1185208338 /nfs/dbraw/zinc/20/83/38/1185208338.db2.gz IKQSQIBVKWZHKC-QMEWPPBRSA-N 0 3 324.468 3.125 20 30 DGEDHN CCC(CC)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001496533696 1185208526 /nfs/dbraw/zinc/20/85/26/1185208526.db2.gz NSADDFDOUCHFJV-LJQANCHMSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(Cl)s1)C(C)C ZINC001496627424 1185223088 /nfs/dbraw/zinc/22/30/88/1185223088.db2.gz IFBWPDUAXXQQGT-JTQLQIEISA-N 0 3 321.273 3.498 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)C(C)C ZINC001496639806 1185225107 /nfs/dbraw/zinc/22/51/07/1185225107.db2.gz SPDWAIHTHNUXJD-YOEHRIQHSA-N 0 3 322.880 3.348 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1ccc(OC)c(C)c1 ZINC001496709619 1185235818 /nfs/dbraw/zinc/23/58/18/1185235818.db2.gz IZTYXAGKIOWRDA-UHFFFAOYSA-N 0 3 318.461 3.250 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1oc(C(F)F)cc1C ZINC001496720241 1185237636 /nfs/dbraw/zinc/23/76/36/1185237636.db2.gz BACKOGPRSYLZBU-UHFFFAOYSA-N 0 3 300.349 3.106 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001496864056 1185260696 /nfs/dbraw/zinc/26/06/96/1185260696.db2.gz SBXYFABNFSAPFG-RVHKNYROSA-N 0 3 322.880 3.245 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001497473294 1185338410 /nfs/dbraw/zinc/33/84/10/1185338410.db2.gz OESWGMNSMNUXCS-HOTGVXAUSA-N 0 3 315.461 3.179 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C\CN[C@H](C)c1ccc(Cl)cc1 ZINC001497579104 1185357179 /nfs/dbraw/zinc/35/71/79/1185357179.db2.gz MGKUYRZCKWLTQK-FOSCPCJNSA-N 0 3 318.848 3.322 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1ccc(C)c(F)c1 ZINC001497590283 1185359160 /nfs/dbraw/zinc/35/91/60/1185359160.db2.gz HNCOMRIYSBUUCB-SNAWJCMRSA-N 0 3 304.409 3.252 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001498148462 1185440593 /nfs/dbraw/zinc/44/05/93/1185440593.db2.gz RSIHNCNWPDGCCT-DZGCQCFKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cc(C)ns2)CCCC1 ZINC001498207506 1185448085 /nfs/dbraw/zinc/44/80/85/1185448085.db2.gz UTFWIYZCWZVRIR-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498376081 1185481185 /nfs/dbraw/zinc/48/11/85/1185481185.db2.gz OLONQLIMBADCJE-BEFAXECRSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCC=C(Cl)Cl)CCC1 ZINC001498606954 1185523249 /nfs/dbraw/zinc/52/32/49/1185523249.db2.gz PQMVYIZGLURATC-UHFFFAOYSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001498614025 1185523676 /nfs/dbraw/zinc/52/36/76/1185523676.db2.gz UZDVZNCVNIBTSX-UHFFFAOYSA-N 0 3 309.841 3.009 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1cc(C)cc(C)c1 ZINC001498636295 1185527063 /nfs/dbraw/zinc/52/70/63/1185527063.db2.gz VYIWFYWEGRQXCJ-UHFFFAOYSA-N 0 3 322.880 3.427 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2nccs2)[C@H](CC)C1 ZINC001498893689 1185565122 /nfs/dbraw/zinc/56/51/22/1185565122.db2.gz KJDQCFYYCVJGMN-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001499102695 1185612210 /nfs/dbraw/zinc/61/22/10/1185612210.db2.gz WPXITQPWUXRMQX-HOTGVXAUSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c[nH]cc1-c1ccccc1 ZINC001499120253 1185614493 /nfs/dbraw/zinc/61/44/93/1185614493.db2.gz MUNYNKPXPXRLPF-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001499113416 1185614762 /nfs/dbraw/zinc/61/47/62/1185614762.db2.gz YHXNRYHYBSLVBO-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c[nH]cc1-c1ccccc1 ZINC001499120252 1185614911 /nfs/dbraw/zinc/61/49/11/1185614911.db2.gz MUNYNKPXPXRLPF-KRWDZBQOSA-N 0 3 323.440 3.452 20 30 DGEDHN O=C(C#CC1CC1)NCCN(C/C=C\Cl)C1CCCCCC1 ZINC001499517510 1185660836 /nfs/dbraw/zinc/66/08/36/1185660836.db2.gz FCVQZLKBCHZEOJ-XGICHPGQSA-N 0 3 322.880 3.293 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001499525963 1185663498 /nfs/dbraw/zinc/66/34/98/1185663498.db2.gz LRJJGGRLXCXRBU-CQSZACIVSA-N 0 3 324.896 3.488 20 30 DGEDHN CC(C)(C)/C=C\C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499883420 1185711544 /nfs/dbraw/zinc/71/15/44/1185711544.db2.gz WGXZXXVOYBPNAK-QQBSYFJQSA-N 0 3 324.468 3.221 20 30 DGEDHN CC1(C)CC[C@H]1C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499918980 1185716528 /nfs/dbraw/zinc/71/65/28/1185716528.db2.gz LOTGQBQNLAZJHP-OALUTQOASA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Cc2ccccc2C)CC1 ZINC001500012652 1185731161 /nfs/dbraw/zinc/73/11/61/1185731161.db2.gz HDRBYFMHHKYTJC-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(C)CCN(C/C=C\Cl)CC2)C1 ZINC001500447542 1185793620 /nfs/dbraw/zinc/79/36/20/1185793620.db2.gz VCXYAYKTJQQRAO-DAXSKMNVSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccc(C)cc2)C1 ZINC001500508233 1185811345 /nfs/dbraw/zinc/81/13/45/1185811345.db2.gz DHFHDLYTZCUOLZ-HXUWFJFHSA-N 0 3 314.473 3.332 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001500511647 1185811443 /nfs/dbraw/zinc/81/14/43/1185811443.db2.gz HICXPRDXKWJLEW-QGZVFWFLSA-N 0 3 317.458 3.247 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(F)cc2C)C1 ZINC001500546463 1185819577 /nfs/dbraw/zinc/81/95/77/1185819577.db2.gz APGOJWWNDHYORG-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)CCCC1 ZINC001501016372 1185856023 /nfs/dbraw/zinc/85/60/23/1185856023.db2.gz WSINWSKNZBJMIJ-XHSDSOJGSA-N 0 3 308.441 3.062 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1CC ZINC001501019586 1185857702 /nfs/dbraw/zinc/85/77/02/1185857702.db2.gz SAQXENYLNVPXBT-KBXCAEBGSA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)nc1)c1ccccc1CC ZINC001501019870 1185857769 /nfs/dbraw/zinc/85/77/69/1185857769.db2.gz WILFAVSKXONZSO-IBGZPJMESA-N 0 3 323.440 3.199 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CCCCCC)C[C@@H]2C1 ZINC001501238485 1185887589 /nfs/dbraw/zinc/88/75/89/1185887589.db2.gz RMKOMJVSEWUHAS-OKZBNKHCSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CCCCCC)C[C@@H]2C1 ZINC001501238484 1185888246 /nfs/dbraw/zinc/88/82/46/1185888246.db2.gz RMKOMJVSEWUHAS-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(CC)CC ZINC001501391956 1185897600 /nfs/dbraw/zinc/89/76/00/1185897600.db2.gz VAPGZPKWUZOLQV-KBAYOESNSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC(C)C)CCC1 ZINC001501392137 1185898427 /nfs/dbraw/zinc/89/84/27/1185898427.db2.gz WEODLBYEGFQUOL-SJORKVTESA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001501603923 1185911702 /nfs/dbraw/zinc/91/17/02/1185911702.db2.gz HTHIREPVSSBGOS-HOTGVXAUSA-N 0 3 310.869 3.314 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)C2CCCC2)cc1 ZINC001501682060 1185922099 /nfs/dbraw/zinc/92/20/99/1185922099.db2.gz WVMJEYIQCQFYDT-HZPDHXFCSA-N 0 3 312.457 3.413 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CCC(F)F)cccc2C1 ZINC001501853890 1185931862 /nfs/dbraw/zinc/93/18/62/1185931862.db2.gz HTVZCEYEYOIXQK-UHFFFAOYSA-N 0 3 322.399 3.282 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001501865762 1185933168 /nfs/dbraw/zinc/93/31/68/1185933168.db2.gz RLZCGFLBHPSOIK-QGZVFWFLSA-N 0 3 322.399 3.402 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC[C@@H]2CCc3ccccc32)CC1 ZINC001502147180 1185963588 /nfs/dbraw/zinc/96/35/88/1185963588.db2.gz DKHFRCSZVVPHNA-OALUTQOASA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(CCC)s1 ZINC001502338405 1185971048 /nfs/dbraw/zinc/97/10/48/1185971048.db2.gz JXPIWVNNFVTLGR-UHFFFAOYSA-N 0 3 306.475 3.118 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001502379152 1185976180 /nfs/dbraw/zinc/97/61/80/1185976180.db2.gz WPSQGXYNWKPWLM-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C\CC ZINC001502521364 1185991394 /nfs/dbraw/zinc/99/13/94/1185991394.db2.gz BRJUIASTVWCFRL-QHVUTBCBSA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C=C ZINC001502532649 1185992947 /nfs/dbraw/zinc/99/29/47/1185992947.db2.gz VLCUEQPZTUYQLL-SFHVURJKSA-N 0 3 312.457 3.318 20 30 DGEDHN C=CCCCC(=O)N1CCC2(CC1)CN(CCC(=C)C)CCO2 ZINC001503735292 1186052748 /nfs/dbraw/zinc/05/27/48/1186052748.db2.gz KAPYGUBZWHNILO-UHFFFAOYSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(F)cc2ccoc21 ZINC001505435049 1186078325 /nfs/dbraw/zinc/07/83/25/1186078325.db2.gz AZZUQFLUVGIDLU-OAHLLOKOSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(F)cccc1Cl ZINC001505459198 1186088429 /nfs/dbraw/zinc/08/84/29/1186088429.db2.gz LYGRDAVUSUQQOR-GFCCVEGCSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C)cccc2C)C1 ZINC001505520334 1186097789 /nfs/dbraw/zinc/09/77/89/1186097789.db2.gz QSLDZCWGIFEFJF-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001505671239 1186121327 /nfs/dbraw/zinc/12/13/27/1186121327.db2.gz OXKFERPLBXZZPD-KBPBESRZSA-N 0 3 322.399 3.141 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C/C=C\c1ccccc1 ZINC001505915950 1186163777 /nfs/dbraw/zinc/16/37/77/1186163777.db2.gz ACBMXGPJPQTHQH-GKUQOKNUSA-N 0 3 312.457 3.186 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC[C@H](NCc1coc(C)n1)C(C)C ZINC001506385943 1186219175 /nfs/dbraw/zinc/21/91/75/1186219175.db2.gz IJSMFEJQMKMIMJ-INIZCTEOSA-N 0 3 321.465 3.158 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC23CCC3)CCCCC1 ZINC001506520626 1186239013 /nfs/dbraw/zinc/23/90/13/1186239013.db2.gz GVQXPCASKUFWKU-CQSZACIVSA-N 0 3 310.869 3.338 20 30 DGEDHN CCCC[C@@H](CNCc1cc(C)ccc1F)NC(=O)[C@@H](C)C#N ZINC001506538785 1186242757 /nfs/dbraw/zinc/24/27/57/1186242757.db2.gz FZJANMUAQTUTGX-HOCLYGCPSA-N 0 3 319.424 3.058 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCCCN1Cc1ccsc1 ZINC001506566955 1186252903 /nfs/dbraw/zinc/25/29/03/1186252903.db2.gz ZNOBWKFAYRADRI-KRWDZBQOSA-N 0 3 318.486 3.412 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001506658158 1186270333 /nfs/dbraw/zinc/27/03/33/1186270333.db2.gz DNWTVLIUAKQCLQ-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001506678914 1186273556 /nfs/dbraw/zinc/27/35/56/1186273556.db2.gz WRRPAAFKUFCUSA-STQMWFEESA-N 0 3 322.399 3.081 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001506886471 1186304587 /nfs/dbraw/zinc/30/45/87/1186304587.db2.gz LSJUUHWQRYDKGJ-CTYIDZIISA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(C)cc(F)c1 ZINC001506938485 1186318097 /nfs/dbraw/zinc/31/80/97/1186318097.db2.gz SGUSSZMXDAMTMA-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCCNCc2ccns2)CC1 ZINC001506941630 1186319067 /nfs/dbraw/zinc/31/90/67/1186319067.db2.gz IJPUXUGCBOXHOT-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C[C@H](CN(C)C(=O)C1=CCCCCC1)NCC#Cc1ccccc1 ZINC001507068743 1186353569 /nfs/dbraw/zinc/35/35/69/1186353569.db2.gz SGFWVFROTJANQK-GOSISDBHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001507077330 1186355711 /nfs/dbraw/zinc/35/57/11/1186355711.db2.gz OMAQXQKMDIBZOD-GOSISDBHSA-N 0 3 324.468 3.243 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001507126016 1186367057 /nfs/dbraw/zinc/36/70/57/1186367057.db2.gz KLUCDBAPMHOIJT-SJORKVTESA-N 0 3 314.473 3.202 20 30 DGEDHN CCC(CC)C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001507298387 1186384732 /nfs/dbraw/zinc/38/47/32/1186384732.db2.gz DZFNLDVOHROHNH-VQIMIIECSA-N 0 3 312.457 3.053 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001507322663 1186389626 /nfs/dbraw/zinc/38/96/26/1186389626.db2.gz UEWDDBRDCKUMNX-GDBMZVCRSA-N 0 3 304.459 3.021 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1ccc(F)cc1)C(C)C ZINC001507819704 1186446220 /nfs/dbraw/zinc/44/62/20/1186446220.db2.gz QKHFXLHTEULSGG-UHFFFAOYSA-N 0 3 306.425 3.113 20 30 DGEDHN C=C(Br)CNC[C@H](NC(=O)[C@@H](C)CC)C(C)(C)C ZINC001507886879 1186452974 /nfs/dbraw/zinc/45/29/74/1186452974.db2.gz KWCZMZSKKZQTMB-JQWIXIFHSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001507992196 1186465796 /nfs/dbraw/zinc/46/57/96/1186465796.db2.gz XKGZPYUUHXFUBS-CQSZACIVSA-N 0 3 323.506 3.366 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001508005120 1186466596 /nfs/dbraw/zinc/46/65/96/1186466596.db2.gz XPCNZMBSCOTUNL-INIZCTEOSA-N 0 3 303.450 3.058 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CNCc1ncccc1C)C(C)(C)C ZINC001508004147 1186466697 /nfs/dbraw/zinc/46/66/97/1186466697.db2.gz ROYGGMNIKOWXND-KRWDZBQOSA-N 0 3 317.477 3.367 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC001508077191 1186477433 /nfs/dbraw/zinc/47/74/33/1186477433.db2.gz QPWHQRNJKCSCCR-OXJNMPFZSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC001508224362 1186490437 /nfs/dbraw/zinc/49/04/37/1186490437.db2.gz IEUGLGFCKIJVAH-NRFANRHFSA-N 0 3 324.468 3.289 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCCc2sccc2C)CC1 ZINC001508229956 1186492418 /nfs/dbraw/zinc/49/24/18/1186492418.db2.gz PDRKJVDAUYHUDM-UHFFFAOYSA-N 0 3 318.486 3.314 20 30 DGEDHN C=CC1(CC(=O)OC[C@@H]2CCN2C2CCOCC2)CCCCC1 ZINC001517126635 1186802779 /nfs/dbraw/zinc/80/27/79/1186802779.db2.gz VNTMQDFZPWJVRV-KRWDZBQOSA-N 0 3 321.461 3.310 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC001521216910 1187005205 /nfs/dbraw/zinc/00/52/05/1187005205.db2.gz LKEHRCVLEXYHLW-CYBMUJFWSA-N 0 3 316.323 3.250 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2ccccc2n1C(C)C ZINC001522010261 1187060937 /nfs/dbraw/zinc/06/09/37/1187060937.db2.gz OKGSRSRVPYTGPM-CYBMUJFWSA-N 0 3 300.406 3.239 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)c1ccc(Br)cc1 ZINC001522810741 1187105035 /nfs/dbraw/zinc/10/50/35/1187105035.db2.gz NZNQBWLZDJDLDJ-ZDUSSCGKSA-N 0 3 311.223 3.096 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CCCO1)c1nccn1Cc1ccccc1 ZINC001524671102 1187258107 /nfs/dbraw/zinc/25/81/07/1187258107.db2.gz BIISRKPSFUIEKV-IRXDYDNUSA-N 0 3 323.396 3.067 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001525199213 1187302284 /nfs/dbraw/zinc/30/22/84/1187302284.db2.gz CBIOSWOBIRBEPW-MRXNPFEDSA-N 0 3 313.445 3.025 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1cc(F)ccc1F ZINC001526588385 1187376915 /nfs/dbraw/zinc/37/69/15/1187376915.db2.gz XPFXKNAHUTZHSB-NSHDSACASA-N 0 3 323.730 3.161 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC001539244599 1188183357 /nfs/dbraw/zinc/18/33/57/1188183357.db2.gz WHJMJPFPPMAHMN-UXHICEINSA-N 0 3 322.452 3.245 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H]1Cc2cc(OC)ccc2O1 ZINC001616682737 1193545070 /nfs/dbraw/zinc/54/50/70/1193545070.db2.gz AQBUQJDFLDEKHM-SFHVURJKSA-N 0 3 313.397 3.322 20 30 DGEDHN C=CCC1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001540085124 1188217430 /nfs/dbraw/zinc/21/74/30/1188217430.db2.gz PTSIERFZPYBUGX-SFHVURJKSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001556828382 1189023518 /nfs/dbraw/zinc/02/35/18/1189023518.db2.gz QGXSQSPQMWEEHE-BENRWUELSA-N 0 3 324.399 3.063 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)CC(C)(F)F ZINC001565938139 1189133798 /nfs/dbraw/zinc/13/37/98/1189133798.db2.gz FVKZYNVVXPKMRT-DGCLKSJQSA-N 0 3 322.827 3.391 20 30 DGEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2ccc(C#N)cc2)C1 ZINC001559918197 1189256789 /nfs/dbraw/zinc/25/67/89/1189256789.db2.gz DFXHGMPOCUPHHM-RHSMWYFYSA-N 0 3 314.429 3.358 20 30 DGEDHN CN1CCN(CC#Cc2ccccc2Cl)C[C@@H]1C(C)(C)C ZINC001559956192 1189262244 /nfs/dbraw/zinc/26/22/44/1189262244.db2.gz PDNPGUBZKPNGSR-QGZVFWFLSA-N 0 3 304.865 3.354 20 30 DGEDHN C=CC[C@H]1CCN(CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC001560026974 1189270221 /nfs/dbraw/zinc/27/02/21/1189270221.db2.gz MLFUZMDTKDNFHX-OXJNMPFZSA-N 0 3 312.457 3.460 20 30 DGEDHN C[C@H](CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001560128697 1189282090 /nfs/dbraw/zinc/28/20/90/1189282090.db2.gz JJIVEGDCQWZLFC-RHSMWYFYSA-N 0 3 313.445 3.278 20 30 DGEDHN N#Cc1cc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)ccc1F ZINC001560135647 1189282255 /nfs/dbraw/zinc/28/22/55/1189282255.db2.gz XHVGXIOXQRJBDK-AZUAARDMSA-N 0 3 322.383 3.097 20 30 DGEDHN CCc1ccc2c(c1)CCN(C[C@@H](O)c1cccc(C#N)c1)C2 ZINC001560237802 1189297287 /nfs/dbraw/zinc/29/72/87/1189297287.db2.gz FHCCTTXXYUPLRM-HXUWFJFHSA-N 0 3 306.409 3.212 20 30 DGEDHN N#Cc1ccc(OCCCN2CCc3cc(O)ccc3C2)cc1 ZINC001560237728 1189297448 /nfs/dbraw/zinc/29/74/48/1189297448.db2.gz CYXOFGMTFRKHHN-UHFFFAOYSA-N 0 3 308.381 3.091 20 30 DGEDHN Cc1ccc(CNCc2ccc(-n3cncn3)c(C)c2)cc1C#N ZINC001560586038 1189344954 /nfs/dbraw/zinc/34/49/54/1189344954.db2.gz YUGVQTDJLMWTRO-UHFFFAOYSA-N 0 3 317.396 3.046 20 30 DGEDHN CC(C)(CCC#N)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560869032 1189396742 /nfs/dbraw/zinc/39/67/42/1189396742.db2.gz WJHFTLHCZVBABW-UHFFFAOYSA-N 0 3 302.334 3.156 20 30 DGEDHN C=C(CC)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001560885452 1189399634 /nfs/dbraw/zinc/39/96/34/1189399634.db2.gz DWRCOTPPDXSCIU-UHFFFAOYSA-N 0 3 304.365 3.160 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(C(=O)OC)c(Cl)c2)c1 ZINC001560887471 1189401299 /nfs/dbraw/zinc/40/12/99/1189401299.db2.gz SZSRULXVFLOIPH-UHFFFAOYSA-N 0 3 313.784 3.398 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001560902587 1189403287 /nfs/dbraw/zinc/40/32/87/1189403287.db2.gz FMVCFKASLWBNCG-YJBOKZPZSA-N 0 3 313.441 3.468 20 30 DGEDHN O[C@H]1CCCN(CC#Cc2ccccc2)[C@@H]1CCc1ccccc1 ZINC001561016935 1189421477 /nfs/dbraw/zinc/42/14/77/1189421477.db2.gz LBGVLBZCXBAISB-YADHBBJMSA-N 0 3 319.448 3.496 20 30 DGEDHN C#CCN(C(=O)NCCCC1CCCCC1)C1CCN(C)CC1 ZINC001563448569 1189513645 /nfs/dbraw/zinc/51/36/45/1189513645.db2.gz DKVMZWDOLNSORP-UHFFFAOYSA-N 0 3 319.493 3.086 20 30 DGEDHN C#CCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)C(C)C ZINC001563459194 1189514642 /nfs/dbraw/zinc/51/46/42/1189514642.db2.gz KDKKIXFGUGPDPJ-MRXNPFEDSA-N 0 3 321.490 3.184 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CCCCN1C ZINC001565434243 1189646673 /nfs/dbraw/zinc/64/66/73/1189646673.db2.gz GUMDAMQVPWPXQC-QGZVFWFLSA-N 0 3 307.482 3.249 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CCc2ccccc2)C1 ZINC001565826446 1189679215 /nfs/dbraw/zinc/67/92/15/1189679215.db2.gz MLODMCWBLXNBAX-SFHVURJKSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001565835148 1189684932 /nfs/dbraw/zinc/68/49/32/1189684932.db2.gz IAZFMXDVYAZWSD-QZTJIDSGSA-N 0 3 318.436 3.066 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001565834374 1189685089 /nfs/dbraw/zinc/68/50/89/1189685089.db2.gz ZSGRPSHTNCYWKE-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001565854638 1189691383 /nfs/dbraw/zinc/69/13/83/1189691383.db2.gz LGQHTWOEHJEPNB-AEGPPILISA-N 0 3 300.874 3.296 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC3CCCC3)C(C)(C)[C@@H]21 ZINC001565992934 1189710334 /nfs/dbraw/zinc/71/03/34/1189710334.db2.gz NEEUKGMDDNCIES-BHIYHBOVSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001565998465 1189712203 /nfs/dbraw/zinc/71/22/03/1189712203.db2.gz YESIWIVIZBAKRH-GUMXBPKOSA-N 0 3 322.880 3.264 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCOc2ccccc2)[C@H]1CC ZINC001566027015 1189719140 /nfs/dbraw/zinc/71/91/40/1189719140.db2.gz QBAQSOLJGLVXRR-ZWKOTPCHSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc2ccncc21 ZINC001566123666 1189741302 /nfs/dbraw/zinc/74/13/02/1189741302.db2.gz UNPITYJHEBJYFT-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C=C)c1ccccc1 ZINC001566124791 1189741871 /nfs/dbraw/zinc/74/18/71/1189741871.db2.gz IPUJKQANNUDAFJ-RBUKOAKNSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCc1ccco1 ZINC001566523306 1189790079 /nfs/dbraw/zinc/79/00/79/1189790079.db2.gz CNDNBSABVZCSHH-GOEBONIOSA-N 0 3 324.852 3.324 20 30 DGEDHN CC#CCN(CCCNC(=O)C12CC(C(C)(C)C)(C1)C2)C1CC1 ZINC001566604031 1189818366 /nfs/dbraw/zinc/81/83/66/1189818366.db2.gz MJDKOSHSDRRSOQ-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN([C@H](C)c2cccc(C)c2)C1 ZINC001566621004 1189829425 /nfs/dbraw/zinc/82/94/25/1189829425.db2.gz YCYWSAJJUSCDAO-IEBWSBKVSA-N 0 3 312.457 3.440 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C[C@H](CC)OC)C2)CCCC1 ZINC001566634917 1189839398 /nfs/dbraw/zinc/83/93/98/1189839398.db2.gz MFJRWSXWRJWADE-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)c1ccc([C@@H](C)N2CC[C@H](NC(=O)C#CC3CC3)C2)cc1 ZINC001566663951 1189846704 /nfs/dbraw/zinc/84/67/04/1189846704.db2.gz WYURZZBCYLXGCX-UZLBHIALSA-N 0 3 324.468 3.475 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(C)c(C)n2)CC1 ZINC001566699296 1189864248 /nfs/dbraw/zinc/86/42/48/1189864248.db2.gz CNNUVBRQKOUEIB-UHFFFAOYSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CCC1CC2 ZINC001566758088 1189893868 /nfs/dbraw/zinc/89/38/68/1189893868.db2.gz AANIRLUKKYLRHH-DUBPFDJUSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001566772565 1189897479 /nfs/dbraw/zinc/89/74/79/1189897479.db2.gz YJDJDIHMCBZFHA-CABCVRRESA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2OC)C1 ZINC001566785122 1189901580 /nfs/dbraw/zinc/90/15/80/1189901580.db2.gz DVAZRIWXLJHNMB-SHTZXODSSA-N 0 3 322.836 3.052 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001566802846 1189906375 /nfs/dbraw/zinc/90/63/75/1189906375.db2.gz GMYOGGLVTLFBLZ-MJVIPROJSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001566840384 1189919002 /nfs/dbraw/zinc/91/90/02/1189919002.db2.gz WMTOPSJDAJXQCG-GASCZTMLSA-N 0 3 304.409 3.165 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001566880858 1189937701 /nfs/dbraw/zinc/93/77/01/1189937701.db2.gz GNUTYLZISCEERN-AEFFLSMTSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001566923255 1189953869 /nfs/dbraw/zinc/95/38/69/1189953869.db2.gz OSTCTBORHPTTLQ-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1CCOC1CCC1 ZINC001566924488 1189955340 /nfs/dbraw/zinc/95/53/40/1189955340.db2.gz OYWNEFOJMXLUHA-INIZCTEOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001566927603 1189956376 /nfs/dbraw/zinc/95/63/76/1189956376.db2.gz SCRCTXDHHNDROS-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1sc(C)cc1C ZINC001566928762 1189958836 /nfs/dbraw/zinc/95/88/36/1189958836.db2.gz LWHQXKVOYBCWJO-MRXNPFEDSA-N 0 3 320.502 3.454 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ncccc2C)C1 ZINC001566958688 1189970257 /nfs/dbraw/zinc/97/02/57/1189970257.db2.gz SNBXBCWIHQAEHM-SJORKVTESA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001566975531 1189977541 /nfs/dbraw/zinc/97/75/41/1189977541.db2.gz ZELUQJSRHUVLSC-PRZQUDPMSA-N 0 3 310.441 3.103 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1cc(F)cc(F)c1 ZINC001567045306 1190006470 /nfs/dbraw/zinc/00/64/70/1190006470.db2.gz BTEWMELKMCZHSS-STQMWFEESA-N 0 3 310.388 3.161 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1ccncc1Cl ZINC001567228700 1190081126 /nfs/dbraw/zinc/08/11/26/1190081126.db2.gz FTGXWXHVKAHVRQ-GUYCJALGSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1csc(C(C)C)n1 ZINC001567232717 1190082798 /nfs/dbraw/zinc/08/27/98/1190082798.db2.gz BGXXAZXVHPUYDO-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1(F)CCCC1 ZINC001567254261 1190097683 /nfs/dbraw/zinc/09/76/83/1190097683.db2.gz MCZZWMQDRDYTCK-CQSZACIVSA-N 0 3 316.848 3.382 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC001567332066 1190136192 /nfs/dbraw/zinc/13/61/92/1190136192.db2.gz UOCYOODRHMBWEU-HNNXBMFYSA-N 0 3 320.864 3.499 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001567410097 1190177604 /nfs/dbraw/zinc/17/76/04/1190177604.db2.gz VHHUDRJNARIQKU-MSOLQXFVSA-N 0 3 304.478 3.220 20 30 DGEDHN CCCN(CCNC(=O)[C@@H](C)C(C)C)Cc1cccc(C#N)c1 ZINC001567434636 1190190500 /nfs/dbraw/zinc/19/05/00/1190190500.db2.gz JHVWBUMXPFBRBU-INIZCTEOSA-N 0 3 315.461 3.179 20 30 DGEDHN CCCN(CCNC(=O)[C@H](C)C(C)C)Cc1cccc(C#N)c1 ZINC001567434637 1190190786 /nfs/dbraw/zinc/19/07/86/1190190786.db2.gz JHVWBUMXPFBRBU-MRXNPFEDSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CCc1cccs1)C1CC1 ZINC001567447195 1190197891 /nfs/dbraw/zinc/19/78/91/1190197891.db2.gz PGZBQKZBEFIOAS-UHFFFAOYSA-N 0 3 306.475 3.083 20 30 DGEDHN CCC[C@H](C)CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001567473038 1190206610 /nfs/dbraw/zinc/20/66/10/1190206610.db2.gz QMWDQWQAQALLQO-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](F)CC)c1ccc(C(C)C)cc1 ZINC001567654342 1190239106 /nfs/dbraw/zinc/23/91/06/1190239106.db2.gz OXTGAVHZOBGCKC-MSOLQXFVSA-N 0 3 318.436 3.328 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1c(C)cccc1C)c1ccccc1 ZINC001567663356 1190242554 /nfs/dbraw/zinc/24/25/54/1190242554.db2.gz HQTVFHLLTXPSTF-IBGZPJMESA-N 0 3 320.436 3.387 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)Cc1ccccc1)c1ccccc1 ZINC001567666343 1190243450 /nfs/dbraw/zinc/24/34/50/1190243450.db2.gz YNRADPBEFJDCKE-YLJYHZDGSA-N 0 3 322.452 3.498 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H](N(CCC)C(=O)c2ccns2)C1 ZINC001567685296 1190251878 /nfs/dbraw/zinc/25/18/78/1190251878.db2.gz VUEZDBBRWLZVJH-HUUCEWRRSA-N 0 3 321.490 3.424 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cnc(C3CC3)o2)C1 ZINC001567684412 1190252212 /nfs/dbraw/zinc/25/22/12/1190252212.db2.gz FVRUJSMCHABREC-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001567689362 1190254565 /nfs/dbraw/zinc/25/45/65/1190254565.db2.gz VBIYZPPULWOLPW-DOTOQJQBSA-N 0 3 318.486 3.188 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2csc(Cl)c2)C1 ZINC001567688909 1190255446 /nfs/dbraw/zinc/25/54/46/1190255446.db2.gz QCIZYZGQDXQQCV-AWEZNQCLSA-N 0 3 324.877 3.351 20 30 DGEDHN CC(C)N1CCC[C@@H](N(Cc2ccccc2)C(=O)C#CC2CC2)C1 ZINC001567745292 1190283783 /nfs/dbraw/zinc/28/37/83/1190283783.db2.gz MAKMFVXVUYITLA-HXUWFJFHSA-N 0 3 324.468 3.301 20 30 DGEDHN C=CCCCC(=O)N1CCC(CN(C)Cc2cnoc2C)CC1 ZINC001567750355 1190286278 /nfs/dbraw/zinc/28/62/78/1190286278.db2.gz KTKMKLQRABNXBR-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001567769576 1190292871 /nfs/dbraw/zinc/29/28/71/1190292871.db2.gz IPHVOMNAKFPALP-RBUKOAKNSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)NCC1CN(Cc2cccc3ccccc32)C1 ZINC001567824061 1190310712 /nfs/dbraw/zinc/31/07/12/1190310712.db2.gz AAKDCQFHAZUSIV-UHFFFAOYSA-N 0 3 308.425 3.354 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCC(F)(F)C1 ZINC001567857230 1190322622 /nfs/dbraw/zinc/32/26/22/1190322622.db2.gz XCAIVNFGDGXVSA-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]c1C ZINC001567863027 1190324450 /nfs/dbraw/zinc/32/44/50/1190324450.db2.gz UBIYNRCSDMZQFI-IRXDYDNUSA-N 0 3 315.461 3.277 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(C)c1 ZINC001567861344 1190324872 /nfs/dbraw/zinc/32/48/72/1190324872.db2.gz SKEVFEWSYAWZEY-XIRDDKMYSA-N 0 3 316.420 3.388 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C ZINC001567866613 1190327766 /nfs/dbraw/zinc/32/77/66/1190327766.db2.gz SOEWTXMWMWCALU-HOTGVXAUSA-N 0 3 303.450 3.192 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)N[C@@H](C)c1ccccc1F ZINC001567958956 1190375930 /nfs/dbraw/zinc/37/59/30/1190375930.db2.gz VSPGPSLXUFTYBC-GJZGRUSLSA-N 0 3 304.409 3.031 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001568014393 1190398818 /nfs/dbraw/zinc/39/88/18/1190398818.db2.gz BZTISIBAWBFSQF-IFXJQAMLSA-N 0 3 316.445 3.235 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1c(C)oc(C)c1C)C1CC1 ZINC001568025294 1190401147 /nfs/dbraw/zinc/40/11/47/1190401147.db2.gz VFWICIDICFMCLA-QGZVFWFLSA-N 0 3 324.852 3.445 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1c(C)oc(C)c1C)C1CC1 ZINC001568025293 1190401211 /nfs/dbraw/zinc/40/12/11/1190401211.db2.gz VFWICIDICFMCLA-KRWDZBQOSA-N 0 3 324.852 3.445 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CCC(F)F)CCCC[C@@H]1C ZINC001568039979 1190407001 /nfs/dbraw/zinc/40/70/01/1190407001.db2.gz IGAOMEORBQZEGZ-XHDPSFHLSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(C)CC[NH+]1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001568123586 1190428617 /nfs/dbraw/zinc/42/86/17/1190428617.db2.gz CVPIUWQKHUMGIB-UHFFFAOYSA-N 0 3 316.445 3.190 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001568274445 1190469930 /nfs/dbraw/zinc/46/99/30/1190469930.db2.gz MGIJHZSDMSYJOW-KRWDZBQOSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2cc(C)ccc2F)C1 ZINC001568298260 1190478219 /nfs/dbraw/zinc/47/82/19/1190478219.db2.gz MGKHMZMGUZBFHG-HNNXBMFYSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(Br)CN[C@@H](CNC(=O)[C@H](C)CCC)C(C)C ZINC001568446430 1190524766 /nfs/dbraw/zinc/52/47/66/1190524766.db2.gz VQZOHEXWHGVWRI-YPMHNXCESA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1ccc(F)cn1)C(C)C ZINC001568459022 1190528431 /nfs/dbraw/zinc/52/84/31/1190528431.db2.gz JFRQVVOYUHVXRQ-MRXNPFEDSA-N 0 3 321.440 3.053 20 30 DGEDHN C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001568480435 1190538464 /nfs/dbraw/zinc/53/84/64/1190538464.db2.gz GOZPRZCLIKWLRV-MRXNPFEDSA-N 0 3 300.446 3.187 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001568482909 1190540145 /nfs/dbraw/zinc/54/01/45/1190540145.db2.gz AUUUKPLAARDBRA-HUUCEWRRSA-N 0 3 306.475 3.126 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc(SC)s1 ZINC001568554827 1190564725 /nfs/dbraw/zinc/56/47/25/1190564725.db2.gz XKGQGBKAAYSSJP-VQHVLOKHSA-N 0 3 324.515 3.450 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC001568551442 1190564846 /nfs/dbraw/zinc/56/48/46/1190564846.db2.gz 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ZINC001569381756 1190686359 /nfs/dbraw/zinc/68/63/59/1190686359.db2.gz WVNGRRJJVDDVLN-CJNGLKHVSA-N 0 3 306.837 3.499 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001569396839 1190691243 /nfs/dbraw/zinc/69/12/43/1190691243.db2.gz SNTDZCPYUVLFTI-UHFFFAOYSA-N 0 3 318.848 3.272 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)C1 ZINC001569554285 1190716109 /nfs/dbraw/zinc/71/61/09/1190716109.db2.gz LXCIGCGJMJUYHV-LBPRGKRZSA-N 0 3 317.260 3.242 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@H](C)CC)C2 ZINC001569622507 1190725203 /nfs/dbraw/zinc/72/52/03/1190725203.db2.gz QWYSYHFZIHDBEQ-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001569639491 1190730023 /nfs/dbraw/zinc/73/00/23/1190730023.db2.gz VFARURUMGAUTMH-LJQANCHMSA-N 0 3 316.445 3.132 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC001569701934 1190743374 /nfs/dbraw/zinc/74/33/74/1190743374.db2.gz HLFLIGLVZYOEBL-IBGZPJMESA-N 0 3 324.468 3.032 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CC2CCCCCC2)CC1 ZINC001569705858 1190743604 /nfs/dbraw/zinc/74/36/04/1190743604.db2.gz ZBBACDQGLNAPEW-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC001569707158 1190744503 /nfs/dbraw/zinc/74/45/03/1190744503.db2.gz NHZSYBWMJGWSAQ-UHFFFAOYSA-N 0 3 322.452 3.111 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001569722095 1190748987 /nfs/dbraw/zinc/74/89/87/1190748987.db2.gz GSNWHKLRWPVCOM-LJQANCHMSA-N 0 3 311.429 3.186 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001569738864 1190752870 /nfs/dbraw/zinc/75/28/70/1190752870.db2.gz KEFIWMNWKFGAPM-ZDUSSCGKSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccoc1)c1ccccc1CC ZINC001569799279 1190754933 /nfs/dbraw/zinc/75/49/33/1190754933.db2.gz BAIROWAVXPMAIV-SFHVURJKSA-N 0 3 312.413 3.018 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001569800376 1190755805 /nfs/dbraw/zinc/75/58/05/1190755805.db2.gz QABBZIJVLRCARM-WMZOPIPTSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001569868244 1190767168 /nfs/dbraw/zinc/76/71/68/1190767168.db2.gz OHRXTGLZPWBXBD-PMOLBWCYSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001569921309 1190775160 /nfs/dbraw/zinc/77/51/60/1190775160.db2.gz FHKGOJYOUMDIQO-YSIASYRMSA-N 0 3 324.468 3.455 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)[C@H](C)CC ZINC001570028438 1190783703 /nfs/dbraw/zinc/78/37/03/1190783703.db2.gz VOEFKSPRAGEREN-IAGOWNOFSA-N 0 3 314.473 3.440 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@]23C[C@H]2CCC3)cc1 ZINC001570031136 1190785020 /nfs/dbraw/zinc/78/50/20/1190785020.db2.gz ITCSBJBDMNHWOB-XFQXTVEOSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1 ZINC001570031088 1190785190 /nfs/dbraw/zinc/78/51/90/1190785190.db2.gz HYTRZJAZJVUSRN-IAGOWNOFSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C3CCC3)cc2)CCC1 ZINC001570107082 1190797287 /nfs/dbraw/zinc/79/72/87/1190797287.db2.gz UQKSIUBHUZQXKQ-UHFFFAOYSA-N 0 3 310.441 3.220 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2cccc(Cl)c2)CCC1 ZINC001570126580 1190801454 /nfs/dbraw/zinc/80/14/54/1190801454.db2.gz VPMRGNUPCQRWDA-AWEZNQCLSA-N 0 3 318.848 3.095 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001570177806 1190808105 /nfs/dbraw/zinc/80/81/05/1190808105.db2.gz SNPZDABTGUVMJM-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C[C@H](F)CC)CC2)CCC1 ZINC001570183021 1190809826 /nfs/dbraw/zinc/80/98/26/1190809826.db2.gz AVJKGRHYYSQPPP-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@@H](C)CC)C2 ZINC001570275089 1190835263 /nfs/dbraw/zinc/83/52/63/1190835263.db2.gz PAGFDGVOGMQIDU-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@H](C)CC)C2 ZINC001570275090 1190835312 /nfs/dbraw/zinc/83/53/12/1190835312.db2.gz PAGFDGVOGMQIDU-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ncccc2C)[C@@H](C)C1 ZINC001570440248 1190859833 /nfs/dbraw/zinc/85/98/33/1190859833.db2.gz JQEZPUIWCNEOFP-DLBZAZTESA-N 0 3 315.461 3.215 20 30 DGEDHN N#Cc1ccc(CNC(=O)c2ccc(NC3=NCCC3)cc2)s1 ZINC001570458401 1190863430 /nfs/dbraw/zinc/86/34/30/1190863430.db2.gz SVMIVDBTSVLLHJ-UHFFFAOYSA-N 0 3 324.409 3.154 20 30 DGEDHN C=CCCC(=O)N1CCC2(CC1)CN(CCCC(C)C)CCO2 ZINC001570481361 1190868537 /nfs/dbraw/zinc/86/85/37/1190868537.db2.gz UXXYYYSOISNSKZ-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)c1ccccc1C ZINC001570547092 1190884319 /nfs/dbraw/zinc/88/43/19/1190884319.db2.gz ADJPCYQKGNEMFV-KRWDZBQOSA-N 0 3 314.473 3.381 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC001570593464 1190895807 /nfs/dbraw/zinc/89/58/07/1190895807.db2.gz RFRZGOACRQYYJS-GAEQQSHZSA-N 0 3 312.457 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cnc(C)s1 ZINC001570625560 1190904503 /nfs/dbraw/zinc/90/45/03/1190904503.db2.gz YPUJSRZJKPIRER-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCC[NH2+]C1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001570657700 1190912059 /nfs/dbraw/zinc/91/20/59/1190912059.db2.gz YFGVMDYOHARJJT-UHFFFAOYSA-N 0 3 316.445 3.331 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001570699638 1190921753 /nfs/dbraw/zinc/92/17/53/1190921753.db2.gz CIRYKQBHMSEFCI-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1cccc(OC)c1 ZINC001570700847 1190922236 /nfs/dbraw/zinc/92/22/36/1190922236.db2.gz XNRULDBDVRSJEC-CABCVRRESA-N 0 3 304.434 3.159 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1coc2ccc(CC)cc21 ZINC001570711113 1190925943 /nfs/dbraw/zinc/92/59/43/1190925943.db2.gz WDGBPIUPKVPPDR-CYBMUJFWSA-N 0 3 300.402 3.231 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001570749241 1190943410 /nfs/dbraw/zinc/94/34/10/1190943410.db2.gz QAQJXRARXIWMRF-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001571227578 1190987013 /nfs/dbraw/zinc/98/70/13/1190987013.db2.gz ZWKHMJFGWOLUJO-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)CCC2CC2)CC1 ZINC001571329856 1190994323 /nfs/dbraw/zinc/99/43/23/1190994323.db2.gz QOORDJBGDNIDHA-UHFFFAOYSA-N 0 3 324.468 3.151 20 30 DGEDHN CCCCCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001571377949 1191007750 /nfs/dbraw/zinc/00/77/50/1191007750.db2.gz VLONHNJSGMZTIE-KRWDZBQOSA-N 0 3 300.446 3.055 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1csc2cc(C)ccc12 ZINC001571389589 1191011667 /nfs/dbraw/zinc/01/16/67/1191011667.db2.gz PBZXDWKARJXHGG-AWEZNQCLSA-N 0 3 314.454 3.283 20 30 DGEDHN C[C@H](CN(C)C(=O)C12CCC(CC1)C2)NCC#Cc1ccccc1 ZINC001571393621 1191012917 /nfs/dbraw/zinc/01/29/17/1191012917.db2.gz SOYPAVPXYHMWKR-FQVISZRSSA-N 0 3 324.468 3.055 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001571411557 1191017944 /nfs/dbraw/zinc/01/79/44/1191017944.db2.gz GHBOIKOVFCGLLS-UONOGXRCSA-N 0 3 321.490 3.383 20 30 DGEDHN CCC(=CC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C)CC ZINC001571475974 1191027248 /nfs/dbraw/zinc/02/72/48/1191027248.db2.gz XUTYWTBPGHGLSF-FXAWDEMLSA-N 0 3 324.468 3.364 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC001571483943 1191028267 /nfs/dbraw/zinc/02/82/67/1191028267.db2.gz YEJZYXWOMILWND-FUHWJXTLSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001571485317 1191029055 /nfs/dbraw/zinc/02/90/55/1191029055.db2.gz PSECMOADMOBRQO-SUMWQHHRSA-N 0 3 322.399 3.400 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](CC)CC3CCCC3)CCC[C@H]12 ZINC001571503072 1191033827 /nfs/dbraw/zinc/03/38/27/1191033827.db2.gz MKYZYBIAFKWARR-CMKODMSKSA-N 0 3 316.489 3.339 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCC3CCCC3)CCC[C@@H]12 ZINC001571504614 1191034805 /nfs/dbraw/zinc/03/48/05/1191034805.db2.gz GONDRKSEKAGMSU-MJGOQNOKSA-N 0 3 302.462 3.093 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC3CCCC3)CCC[C@@H]12 ZINC001571504613 1191034935 /nfs/dbraw/zinc/03/49/35/1191034935.db2.gz GONDRKSEKAGMSU-IEBWSBKVSA-N 0 3 302.462 3.093 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(COC)CCCCC2)[C@@H]1C ZINC001571518546 1191041060 /nfs/dbraw/zinc/04/10/60/1191041060.db2.gz GQAVAXAUUXJJOP-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCCN(CCOC)[C@H]2C)CCCCC1 ZINC001571522260 1191041674 /nfs/dbraw/zinc/04/16/74/1191041674.db2.gz CLOVZWJZVQXSTR-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001571521334 1191042008 /nfs/dbraw/zinc/04/20/08/1191042008.db2.gz QHOHYEXZAXGVLR-MJGOQNOKSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2ncc(C)s2)C1 ZINC001571542301 1191047799 /nfs/dbraw/zinc/04/77/99/1191047799.db2.gz MRMQYMMJENZMQI-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2c(c1)CCC2)C(C)C ZINC001571616087 1191063164 /nfs/dbraw/zinc/06/31/64/1191063164.db2.gz QAFVQLOANWSUTC-UHFFFAOYSA-N 0 3 300.446 3.144 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C=C)c1ccccc1)C(C)C ZINC001571617121 1191063760 /nfs/dbraw/zinc/06/37/60/1191063760.db2.gz VNDXAKOLWZGVSJ-IBGZPJMESA-N 0 3 312.457 3.148 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccc(Cl)[nH]2)c(F)c1 ZINC001571703383 1191086334 /nfs/dbraw/zinc/08/63/34/1191086334.db2.gz DICMARWLVKMNHH-UHFFFAOYSA-N 0 3 321.783 3.013 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)OC(C)(C)C)c1 ZINC001574856684 1191454753 /nfs/dbraw/zinc/45/47/53/1191454753.db2.gz FAYCOKDLBHSNMQ-CYBMUJFWSA-N 0 3 324.808 3.050 20 30 DGEDHN C=CC[C@H](C(=O)Nc1ccnc([C@@H]2CCCN2)n1)c1ccccc1 ZINC001574889977 1191456010 /nfs/dbraw/zinc/45/60/10/1191456010.db2.gz VNDICVKYOHHVMH-HOTGVXAUSA-N 0 3 322.412 3.200 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC001574903991 1191457429 /nfs/dbraw/zinc/45/74/29/1191457429.db2.gz ZAJSYOWAJGCRJW-HNNXBMFYSA-N 0 3 306.837 3.171 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC001574903324 1191457532 /nfs/dbraw/zinc/45/75/32/1191457532.db2.gz PBQUCQOHQYXTLU-AAEUAGOBSA-N 0 3 303.431 3.157 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC001574902836 1191458047 /nfs/dbraw/zinc/45/80/47/1191458047.db2.gz HQIFEEARAWPDEX-QGZVFWFLSA-N 0 3 302.393 3.125 20 30 DGEDHN C=CCCc1ccccc1NC(=O)C1(N)Cc2ccccc2C1 ZINC001574921046 1191458641 /nfs/dbraw/zinc/45/86/41/1191458641.db2.gz QMTKRPSWLGHHEZ-UHFFFAOYSA-N 0 3 306.409 3.240 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N(CCCCCC)Cc1ccc(C)o1 ZINC001574961940 1191460469 /nfs/dbraw/zinc/46/04/69/1191460469.db2.gz BPBJSUIZMKCBOR-QGZVFWFLSA-N 0 3 304.434 3.238 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001574962681 1191461040 /nfs/dbraw/zinc/46/10/40/1191461040.db2.gz OAODOWZXZJHVKD-AUUYWEPGSA-N 0 3 324.399 3.411 20 30 DGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1NCc2ccccc21 ZINC001575052002 1191464164 /nfs/dbraw/zinc/46/41/64/1191464164.db2.gz VQMOSKIHIMAOFL-DYVFJYSZSA-N 0 3 321.380 3.151 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(OC(C)(C)C)c1 ZINC001618813644 1193753256 /nfs/dbraw/zinc/75/32/56/1193753256.db2.gz LAICUGWKIHVNAB-UHFFFAOYSA-N 0 3 318.461 3.444 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]2CCCC[C@H]12 ZINC001620524163 1193776365 /nfs/dbraw/zinc/77/63/65/1193776365.db2.gz NBVHRJJHUPOVIU-OKZBNKHCSA-N 0 3 303.833 3.317 20 30 DGEDHN C#CCOCCN1CCC[C@]1(C)Cc1cc(F)c(F)c(F)c1 ZINC001620542194 1193777838 /nfs/dbraw/zinc/77/78/38/1193777838.db2.gz RFVRUOIJRRMMJA-QGZVFWFLSA-N 0 3 311.347 3.151 20 30 DGEDHN COC(=O)C[C@@H](NCC#Cc1ccc(Cl)cc1)C(C)(C)C ZINC001620613949 1193783256 /nfs/dbraw/zinc/78/32/56/1193783256.db2.gz VPWMWROMYJAQRH-OAHLLOKOSA-N 0 3 307.821 3.259 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H](CC)[C@H](O)C(C)C ZINC001621393389 1193836996 /nfs/dbraw/zinc/83/69/96/1193836996.db2.gz VWCCKIAWCPXZOU-NVXWUHKLSA-N 0 3 309.837 3.237 20 30 DGEDHN COC(=O)[C@@H](CNCc1ccc(C#N)cc1F)C1CCCCC1 ZINC001621518680 1193853017 /nfs/dbraw/zinc/85/30/17/1193853017.db2.gz QYDSWOOGFGLVIO-INIZCTEOSA-N 0 3 318.392 3.156 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC001622536341 1193904512 /nfs/dbraw/zinc/90/45/12/1193904512.db2.gz LVNLYVPHLLCWRE-OXJNMPFZSA-N 0 3 318.420 3.061 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(F)c1 ZINC001626399325 1194074790 /nfs/dbraw/zinc/07/47/90/1194074790.db2.gz AKMYSZILCWDJSJ-NTMALXAHSA-N 0 3 323.371 3.411 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2C(F)F)CC1 ZINC001627255002 1194119290 /nfs/dbraw/zinc/11/92/90/1194119290.db2.gz AETAEIRBGSASBF-UHFFFAOYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001635757805 1194570046 /nfs/dbraw/zinc/57/00/46/1194570046.db2.gz MHJYJMHJPOCPJS-HUUCEWRRSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C[C@H](CO)NCc1cccc(OCc2ccc(F)cc2F)c1 ZINC001643927922 1195064841 /nfs/dbraw/zinc/06/48/41/1195064841.db2.gz HUWBZPRHRKUZTK-MRXNPFEDSA-N 0 3 319.351 3.180 20 30 DGEDHN CC[C@H](CC(F)F)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001644193467 1195088631 /nfs/dbraw/zinc/08/86/31/1195088631.db2.gz ACBJDGUMTOKXRJ-CQSZACIVSA-N 0 3 307.388 3.362 20 30 DGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CC3CCC2CC3)c1 ZINC001644357414 1195102491 /nfs/dbraw/zinc/10/24/91/1195102491.db2.gz VVDJJSJGMAAGHZ-DAWZGUTISA-N 0 3 310.441 3.365 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001647736631 1195250799 /nfs/dbraw/zinc/25/07/99/1195250799.db2.gz GVGFMRNXNOMHHU-KRWDZBQOSA-N 0 3 320.477 3.369 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCN(CC2CC3(CCC3)C2)CC1 ZINC001648067523 1195274790 /nfs/dbraw/zinc/27/47/90/1195274790.db2.gz QKXWINYLEUKNOT-UHFFFAOYSA-N 0 3 313.420 3.400 20 30 DGEDHN C=CCC[C@@H]1CCCN1CCCS(=O)(=O)c1ccccc1 ZINC001648526724 1195306400 /nfs/dbraw/zinc/30/64/00/1195306400.db2.gz ZJUSJTGBBXKXFD-MRXNPFEDSA-N 0 3 307.459 3.281 20 30 DGEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001648563432 1195309773 /nfs/dbraw/zinc/30/97/73/1195309773.db2.gz HRZLHJBCAXCDLE-AWEZNQCLSA-N 0 3 320.820 3.165 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@@H]1CC[C@H](C#N)C1 ZINC001648588281 1195311611 /nfs/dbraw/zinc/31/16/11/1195311611.db2.gz YOXQMTNYXRJQKI-YOFIQYCBSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001649438770 1195338109 /nfs/dbraw/zinc/33/81/09/1195338109.db2.gz LGKJLIMSVLCZTC-MPGHIAIKSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cccc(Cl)c1Br ZINC001650877451 1195391386 /nfs/dbraw/zinc/39/13/86/1195391386.db2.gz LGUJQDOKRJGOQE-SNVBAGLBSA-N 0 3 318.642 3.377 20 30 DGEDHN CC[C@@H](NCc1csc(C#N)c1)[C@H](O)c1ccccc1F ZINC001650620917 1195364924 /nfs/dbraw/zinc/36/49/24/1195364924.db2.gz CJPPPRSETXPVKE-HZPDHXFCSA-N 0 3 304.390 3.361 20 30 DGEDHN Cc1cc(N2CCN[C@H](c3ccc(Cl)cc3)C2)c(C#N)cn1 ZINC001651533394 1195477339 /nfs/dbraw/zinc/47/73/39/1195477339.db2.gz XSZNYQZPLBCNPV-INIZCTEOSA-N 0 3 312.804 3.066 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001651553950 1195479526 /nfs/dbraw/zinc/47/95/26/1195479526.db2.gz CIYGNPUOPHWSGK-AWEZNQCLSA-N 0 3 310.353 3.458 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2N(C)C)C1(C)C ZINC001651750574 1195506195 /nfs/dbraw/zinc/50/61/95/1195506195.db2.gz IPDFLOUOOIAHCO-MSOLQXFVSA-N 0 3 315.461 3.260 20 30 DGEDHN Cc1ccc(CN2CC[C@H](Nc3nc(C)ccc3C#N)C2)cc1 ZINC001652150726 1195554154 /nfs/dbraw/zinc/55/41/54/1195554154.db2.gz FCHGOUXSOSBSDS-SFHVURJKSA-N 0 3 306.413 3.257 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C)(C)CC1 ZINC001652420392 1195595660 /nfs/dbraw/zinc/59/56/60/1195595660.db2.gz HXZIIGADHIXQMY-WUJZJPHMSA-N 0 3 319.493 3.428 20 30 DGEDHN CNc1ccccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC001652573759 1195618686 /nfs/dbraw/zinc/61/86/86/1195618686.db2.gz LHWIYHJRUDPBDB-UHFFFAOYSA-N 0 3 309.413 3.249 20 30 DGEDHN CCc1ccccc1CCN1CCN(c2ccccc2C#N)CC1 ZINC001653282907 1195706517 /nfs/dbraw/zinc/70/65/17/1195706517.db2.gz UKXAOQCHERWSJY-UHFFFAOYSA-N 0 3 319.452 3.485 20 30 DGEDHN CCCCCCCCN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001654348107 1195795217 /nfs/dbraw/zinc/79/52/17/1195795217.db2.gz PXYOJFWJWMLQDD-KRWDZBQOSA-N 0 3 309.498 3.425 20 30 DGEDHN CCCCCCCCN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001654348108 1195796017 /nfs/dbraw/zinc/79/60/17/1195796017.db2.gz PXYOJFWJWMLQDD-QGZVFWFLSA-N 0 3 309.498 3.425 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC001654508718 1195811562 /nfs/dbraw/zinc/81/15/62/1195811562.db2.gz SGHUHGDRZKBWQA-IBGZPJMESA-N 0 3 318.436 3.344 20 30 DGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC001654847179 1195846992 /nfs/dbraw/zinc/84/69/92/1195846992.db2.gz DVEITTXIEZCXJH-PBHICJAKSA-N 0 3 314.429 3.358 20 30 DGEDHN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(Cc2ccc(C#N)s2)[C@@H]1C ZINC001655085818 1195873651 /nfs/dbraw/zinc/87/36/51/1195873651.db2.gz QNSNWDYZFCPBSN-OQMKEHIESA-N 0 3 320.458 3.418 20 30 DGEDHN C[C@H]1CN(c2ccnc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001655279324 1195899247 /nfs/dbraw/zinc/89/92/47/1195899247.db2.gz WMOSQVDOFBGFBT-HOTGVXAUSA-N 0 3 306.413 3.052 20 30 DGEDHN COC(=O)C(C)(C)CN(Cc1ccc(F)cc1C#N)CC(C)C ZINC001655448778 1195918852 /nfs/dbraw/zinc/91/88/52/1195918852.db2.gz ZRFYRAYOZMFSNU-UHFFFAOYSA-N 0 3 320.408 3.355 20 30 DGEDHN OC[C@]1(c2ccccc2)CCCN1CC#Cc1ccc(F)cc1 ZINC001655898458 1195974971 /nfs/dbraw/zinc/97/49/71/1195974971.db2.gz KAZPQGBQNWMLGL-FQEVSTJZSA-N 0 3 309.384 3.161 20 30 DGEDHN C=CCNC(=O)CNCc1ccc(-c2cccc(Cl)c2)s1 ZINC001655994589 1195986081 /nfs/dbraw/zinc/98/60/81/1195986081.db2.gz WQRRZEGUMIYLCK-UHFFFAOYSA-N 0 3 320.845 3.460 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H](CC)c2ccccc2)CCC1 ZINC001673226465 1195992714 /nfs/dbraw/zinc/99/27/14/1195992714.db2.gz NJACJKIRMOMFMV-QGZVFWFLSA-N 0 3 312.457 3.222 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@]2(C)CCC[C@H]2CC)C1 ZINC001656207047 1196017395 /nfs/dbraw/zinc/01/73/95/1196017395.db2.gz METRKOWLFSRQCE-KCYZZUKISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC=CC1 ZINC001656429130 1196039573 /nfs/dbraw/zinc/03/95/73/1196039573.db2.gz KAAAWPSAJXKYCW-XJKSGUPXSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc[nH]1 ZINC001656607204 1196054010 /nfs/dbraw/zinc/05/40/10/1196054010.db2.gz JQCKSMWKCVEYRZ-CZUORRHYSA-N 0 3 323.868 3.378 20 30 DGEDHN Cc1ccc(-c2nn(C)cc2CNCc2cccc(C#N)c2)o1 ZINC001656737314 1196066569 /nfs/dbraw/zinc/06/65/69/1196066569.db2.gz PDJRTPUHHFTXNL-UHFFFAOYSA-N 0 3 306.369 3.150 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](CCCCC)C(C)C)C[C@@H]2C1 ZINC001656839892 1196075136 /nfs/dbraw/zinc/07/51/36/1196075136.db2.gz MTGCEHWTPIGZNO-CEXWTWQISA-N 0 3 318.505 3.252 20 30 DGEDHN COc1ccc(CNCc2c[nH]c(=O)c3ccccc23)cc1C#N ZINC001656993637 1196090825 /nfs/dbraw/zinc/09/08/25/1196090825.db2.gz RQNFKVNNMRASQV-UHFFFAOYSA-N 0 3 319.364 3.110 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1csc(C2CC2)n1 ZINC001657083220 1196102775 /nfs/dbraw/zinc/10/27/75/1196102775.db2.gz UKWFNLNIPYWKIP-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@]1(O)CCCC1(C)C ZINC001657430224 1196141282 /nfs/dbraw/zinc/14/12/82/1196141282.db2.gz WRSBSBYVOJZSDS-SFHVURJKSA-N 0 3 321.848 3.383 20 30 DGEDHN C#Cc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC001658122390 1196214277 /nfs/dbraw/zinc/21/42/77/1196214277.db2.gz DEGCKOIBLMPEHY-UHFFFAOYSA-N 0 3 313.784 3.382 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(Cc2cccc(C#N)n2)CC1 ZINC001658832443 1196306665 /nfs/dbraw/zinc/30/66/65/1196306665.db2.gz DTNDSWSDGGVKCQ-HXUWFJFHSA-N 0 3 320.440 3.222 20 30 DGEDHN C[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC001659096403 1196344334 /nfs/dbraw/zinc/34/43/34/1196344334.db2.gz MMTIXXMWTNEYQQ-RKVPGOIHSA-N 0 3 311.429 3.174 20 30 DGEDHN Cc1cc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1C#N ZINC001659161879 1196354520 /nfs/dbraw/zinc/35/45/20/1196354520.db2.gz PXMYLTNVFFQIGW-NRFANRHFSA-N 0 3 319.452 3.225 20 30 DGEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001660426513 1196482934 /nfs/dbraw/zinc/48/29/34/1196482934.db2.gz QFOAOGISGAZXNH-RDJZCZTQSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(OC)c(OC)c1 ZINC001660484067 1196488846 /nfs/dbraw/zinc/48/88/46/1196488846.db2.gz KTNCZWYPFUIXGT-OAHLLOKOSA-N 0 3 318.417 3.073 20 30 DGEDHN C=CCCCN(CC)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC001660512301 1196492940 /nfs/dbraw/zinc/49/29/40/1196492940.db2.gz CUIOBQRYFWXZSC-UHFFFAOYSA-N 0 3 301.390 3.138 20 30 DGEDHN CCCCCCCCCN1CCN(Cc2ccnn2C)CC1 ZINC001660652620 1196509508 /nfs/dbraw/zinc/50/95/08/1196509508.db2.gz ZSHKKFBNNZONHP-UHFFFAOYSA-N 0 3 306.498 3.288 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2ccccn2)c1 ZINC001660786410 1196524082 /nfs/dbraw/zinc/52/40/82/1196524082.db2.gz SEWMEQWVRLTFBT-UHFFFAOYSA-N 0 3 316.202 3.048 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC001660841925 1196532679 /nfs/dbraw/zinc/53/26/79/1196532679.db2.gz MUIQRNVVQLSJMI-OAHLLOKOSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001660987936 1196550627 /nfs/dbraw/zinc/55/06/27/1196550627.db2.gz CBNMOVBRMSSAQE-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001661067259 1196560739 /nfs/dbraw/zinc/56/07/39/1196560739.db2.gz ZDPIDKPUXNEPCZ-KRWDZBQOSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccc(C)o2)CC1 ZINC001661087487 1196564209 /nfs/dbraw/zinc/56/42/09/1196564209.db2.gz VHJLLEZJFPDOSW-UHFFFAOYSA-N 0 3 304.434 3.020 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001661097718 1196565552 /nfs/dbraw/zinc/56/55/52/1196565552.db2.gz UZYLVZCSDTZXNB-UHFFFAOYSA-N 0 3 315.461 3.006 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001661267763 1196590452 /nfs/dbraw/zinc/59/04/52/1196590452.db2.gz UAEYGLRQYVFNLU-ZACQAIPSSA-N 0 3 302.462 3.373 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001661271560 1196590529 /nfs/dbraw/zinc/59/05/29/1196590529.db2.gz VMRKSFQKONAVMN-FWEDZOCSSA-N 0 3 302.462 3.062 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001661462773 1196608578 /nfs/dbraw/zinc/60/85/78/1196608578.db2.gz DGTRHTNTAYHCKT-BZUAXINKSA-N 0 3 316.420 3.317 20 30 DGEDHN C[C@@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661467391 1196608604 /nfs/dbraw/zinc/60/86/04/1196608604.db2.gz DYYLAYLSGPHSJV-VBSBHUPXSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001661641313 1196627391 /nfs/dbraw/zinc/62/73/91/1196627391.db2.gz ZQAJVKXOYMYDTD-AEGPPILISA-N 0 3 321.852 3.074 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C(C)(C)C2CCCCC2)C1 ZINC001661742915 1196638643 /nfs/dbraw/zinc/63/86/43/1196638643.db2.gz HARLULZBXIWNRW-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001661743621 1196638898 /nfs/dbraw/zinc/63/88/98/1196638898.db2.gz PSXNTZZTZJPKTD-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCOc1ccccc1 ZINC001661890888 1196659778 /nfs/dbraw/zinc/65/97/78/1196659778.db2.gz NEOHEMCDXVSNFR-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN C[C@H](CNC(=O)C(C)(C)C1CCC1)NCc1ccc(C#N)s1 ZINC001662293224 1196703407 /nfs/dbraw/zinc/70/34/07/1196703407.db2.gz PKMNJCVZISCKIF-GFCCVEGCSA-N 0 3 319.474 3.040 20 30 DGEDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(CC#N)cc2)o1 ZINC001662744709 1196745884 /nfs/dbraw/zinc/74/58/84/1196745884.db2.gz DPOXGPFJYKGRRZ-UHFFFAOYSA-N 0 3 306.369 3.334 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccccc2C)C1 ZINC001662878353 1196766358 /nfs/dbraw/zinc/76/63/58/1196766358.db2.gz MEURCDUKGWUJBU-MSOLQXFVSA-N 0 3 312.457 3.045 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001662878471 1196767133 /nfs/dbraw/zinc/76/71/33/1196767133.db2.gz OOFAQOFHOWTYQA-QGZVFWFLSA-N 0 3 316.420 3.002 20 30 DGEDHN C#CCCCC(=O)NCC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC001662913990 1196772069 /nfs/dbraw/zinc/77/20/69/1196772069.db2.gz GFTCSZXIDICKTN-KGLIPLIRSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1ccc(C)s1 ZINC001663019699 1196784361 /nfs/dbraw/zinc/78/43/61/1196784361.db2.gz HNTGBDOBNLKLAJ-GFCCVEGCSA-N 0 3 314.882 3.226 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](F)C(C)C ZINC001663098827 1196792351 /nfs/dbraw/zinc/79/23/51/1196792351.db2.gz OTAVIPZWZFZNSB-UONOGXRCSA-N 0 3 304.837 3.094 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)CCc2cccs2)CCCC1 ZINC001663346734 1196841703 /nfs/dbraw/zinc/84/17/03/1196841703.db2.gz YZPNLAIGEVMMBV-UHFFFAOYSA-N 0 3 320.502 3.475 20 30 DGEDHN C=CCCC(=O)NCCN(CC)[C@@H]1CCc2c1cc(F)cc2F ZINC001663364334 1196847901 /nfs/dbraw/zinc/84/79/01/1196847901.db2.gz YZEVPSAZICDZHS-QGZVFWFLSA-N 0 3 322.399 3.356 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2ccccc2c1 ZINC001663483496 1196883203 /nfs/dbraw/zinc/88/32/03/1196883203.db2.gz YSYXSQVZDMSVSK-DNVCBOLYSA-N 0 3 321.424 3.080 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2cccc(C)c2s1 ZINC001663668201 1196925031 /nfs/dbraw/zinc/92/50/31/1196925031.db2.gz NSYDQYBESNJIKW-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001663680117 1196927073 /nfs/dbraw/zinc/92/70/73/1196927073.db2.gz XGIZSJWCAIOGFC-INIZCTEOSA-N 0 3 318.436 3.171 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC001663740184 1196937008 /nfs/dbraw/zinc/93/70/08/1196937008.db2.gz ZSTZOVYGXJKXPG-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](CC)CC(F)(F)F)C1CC1 ZINC001663769488 1196942185 /nfs/dbraw/zinc/94/21/85/1196942185.db2.gz SOJFJXFHUQLRHN-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN CC[C@@H](CC(=O)N(C)CCNCc1ccc(C#N)cc1)C(C)C ZINC001664317558 1196989422 /nfs/dbraw/zinc/98/94/22/1196989422.db2.gz ONHBZBRIULICOS-SFHVURJKSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc(C)nc(C)c1)c1ccccc1 ZINC001664578684 1197017174 /nfs/dbraw/zinc/01/71/74/1197017174.db2.gz RWEKBFAAWQXPJF-LJQANCHMSA-N 0 3 323.440 3.335 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc[nH]c1CCC)c1ccccc1 ZINC001664588852 1197018187 /nfs/dbraw/zinc/01/81/87/1197018187.db2.gz ZJHQRWCJVSRCJR-LJQANCHMSA-N 0 3 323.440 3.051 20 30 DGEDHN C#CCCN[C@H](CNC(=O)Cc1ccccc1C)c1ccccc1 ZINC001664597739 1197019131 /nfs/dbraw/zinc/01/91/31/1197019131.db2.gz DMKLCERXTQORBZ-HXUWFJFHSA-N 0 3 320.436 3.008 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cccc(C)c1C)c1ccccc1 ZINC001664600130 1197019576 /nfs/dbraw/zinc/01/95/76/1197019576.db2.gz YYCIMSBENLTJHD-HXUWFJFHSA-N 0 3 320.436 3.387 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001664679224 1197033611 /nfs/dbraw/zinc/03/36/11/1197033611.db2.gz UABJSPBQEKPFSB-ZIAGYGMSSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001665296335 1197119138 /nfs/dbraw/zinc/11/91/38/1197119138.db2.gz XKLINNLBXAZIGB-INIZCTEOSA-N 0 3 300.446 3.460 20 30 DGEDHN C#Cc1ccc(C(=O)NCC2CN(CC/C=C/CCC)C2)cc1 ZINC001665316844 1197122477 /nfs/dbraw/zinc/12/24/77/1197122477.db2.gz CXMZIHAMNGNWON-VOTSOKGWSA-N 0 3 310.441 3.076 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1F ZINC001665416868 1197134379 /nfs/dbraw/zinc/13/43/79/1197134379.db2.gz OUHJTODHJUKDIT-PMPSAXMXSA-N 0 3 316.420 3.388 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CC(F)(F)F ZINC001665424889 1197135628 /nfs/dbraw/zinc/13/56/28/1197135628.db2.gz BCVDJAREHVFOJP-RDBSUJKOSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1Cl ZINC001665428428 1197135646 /nfs/dbraw/zinc/13/56/46/1197135646.db2.gz CBXDYQSIZHURET-KBPBESRZSA-N 0 3 322.811 3.344 20 30 DGEDHN CCc1cccc(CN2CCN(c3ccc(C#N)cc3)CC2)c1O ZINC001665476326 1197142018 /nfs/dbraw/zinc/14/20/18/1197142018.db2.gz ZHAULIFLAPDQFN-UHFFFAOYSA-N 0 3 321.424 3.148 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001665563908 1197152181 /nfs/dbraw/zinc/15/21/81/1197152181.db2.gz WWVMKRKNQQMQQX-SJLPKXTDSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCc2ccc(C)s2)C1 ZINC001665691448 1197173197 /nfs/dbraw/zinc/17/31/97/1197173197.db2.gz LCHLCKSVNGYSJC-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC(C)(C)C(F)(F)F)C1 ZINC001665742643 1197185004 /nfs/dbraw/zinc/18/50/04/1197185004.db2.gz QZHXICQFHZEBLF-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)N[C@@H]1CCc2c1c(F)ccc2F ZINC001665765241 1197190383 /nfs/dbraw/zinc/19/03/83/1197190383.db2.gz JEKQTPLICHSMHT-BLLLJJGKSA-N 0 3 322.399 3.403 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)N[C@@H]1CCc2c1c(F)ccc2F ZINC001665765243 1197190836 /nfs/dbraw/zinc/19/08/36/1197190836.db2.gz JEKQTPLICHSMHT-MLGOLLRUSA-N 0 3 322.399 3.403 20 30 DGEDHN CC[C@@H](CNC(=O)C1=CCCCCC1)NCC#Cc1ccccc1 ZINC001665782954 1197195682 /nfs/dbraw/zinc/19/56/82/1197195682.db2.gz XMJOGEXFZCZRHG-FQEVSTJZSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC001666074293 1197233586 /nfs/dbraw/zinc/23/35/86/1197233586.db2.gz RDANPSPPZZOBOZ-CQSZACIVSA-N 0 3 324.827 3.410 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2oc(C)cc2C)C1 ZINC001666093702 1197235928 /nfs/dbraw/zinc/23/59/28/1197235928.db2.gz VXVVNEODNXEEHJ-OAHLLOKOSA-N 0 3 324.852 3.481 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCC(C)=C(C)C2)cc1 ZINC001666333578 1197253166 /nfs/dbraw/zinc/25/31/66/1197253166.db2.gz XYRWQFOTQNDGLS-LJQANCHMSA-N 0 3 310.441 3.162 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@]2(C)CCC[C@H]2C)cc1 ZINC001666340797 1197253898 /nfs/dbraw/zinc/25/38/98/1197253898.db2.gz ABLUFUBPENFMRD-UZLBHIALSA-N 0 3 312.457 3.242 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666894140 1197295617 /nfs/dbraw/zinc/29/56/17/1197295617.db2.gz RKGGDRGFSIGREZ-UONOGXRCSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001666967236 1197302491 /nfs/dbraw/zinc/30/24/91/1197302491.db2.gz KYMHRJUVAABLGZ-OAHLLOKOSA-N 0 3 317.477 3.354 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2cc(F)cc(F)c2)C1 ZINC001666987253 1197305792 /nfs/dbraw/zinc/30/57/92/1197305792.db2.gz GVIKXIPAVZYGSH-ZDUSSCGKSA-N 0 3 322.399 3.258 20 30 DGEDHN CC[C@H](F)CNC[C@@H](NC(=O)C#CC(C)(C)C)C1CCCCC1 ZINC001667133967 1197322569 /nfs/dbraw/zinc/32/25/69/1197322569.db2.gz COXNRERNAYWZLA-DLBZAZTESA-N 0 3 324.484 3.439 20 30 DGEDHN C=CCCC[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001667166611 1197325668 /nfs/dbraw/zinc/32/56/68/1197325668.db2.gz JUNWEZCWDMWBGG-MSOLQXFVSA-N 0 3 315.461 3.477 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001667289781 1197335542 /nfs/dbraw/zinc/33/55/42/1197335542.db2.gz ABAPBVOKLFPSKI-OWCLPIDISA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001667362279 1197341359 /nfs/dbraw/zinc/34/13/59/1197341359.db2.gz XPECGEBPYCSSLF-WBVHZDCISA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](N[C@H](C)c1ccccc1F)C(C)C ZINC001667452323 1197349820 /nfs/dbraw/zinc/34/98/20/1197349820.db2.gz KIZSYGQVWNJJCR-CRAIPNDOSA-N 0 3 318.436 3.421 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC001667585779 1197365064 /nfs/dbraw/zinc/36/50/64/1197365064.db2.gz YHECJJBFUDCQBF-WAYWQWQTSA-N 0 3 304.409 3.195 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC001668106988 1197400264 /nfs/dbraw/zinc/40/02/64/1197400264.db2.gz RLKONMKXLFOOLN-RYUDHWBXSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cn(C)c2ccccc12 ZINC001668128352 1197401458 /nfs/dbraw/zinc/40/14/58/1197401458.db2.gz VPLZMYRBSGNXBV-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C/CNCc2cccc(F)c2)CC1 ZINC001669021023 1197437707 /nfs/dbraw/zinc/43/77/07/1197437707.db2.gz OWGCQEISQVGTEM-NSCUHMNNSA-N 0 3 316.420 3.334 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CCC=CCCC1 ZINC001669328556 1197449380 /nfs/dbraw/zinc/44/93/80/1197449380.db2.gz HVSKKAJSWJFXKB-QUCCMNQESA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001669799893 1197484033 /nfs/dbraw/zinc/48/40/33/1197484033.db2.gz CXJKORNBEYLBEV-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669814838 1197487083 /nfs/dbraw/zinc/48/70/83/1197487083.db2.gz APJBWRNECWWPDV-OAHLLOKOSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001669857149 1197492188 /nfs/dbraw/zinc/49/21/88/1197492188.db2.gz QSQSGYIWVFCBCL-LLVKDONJSA-N 0 3 305.809 3.057 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001669867416 1197493941 /nfs/dbraw/zinc/49/39/41/1197493941.db2.gz FSXBXZOFCXCDEP-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1ccc(C)cc1 ZINC001670169426 1197523569 /nfs/dbraw/zinc/52/35/69/1197523569.db2.gz XFKMFOHNXRODEB-UHFFFAOYSA-N 0 3 308.853 3.118 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001670237397 1197527234 /nfs/dbraw/zinc/52/72/34/1197527234.db2.gz PFLQVVRFNRAYEY-QGZVFWFLSA-N 0 3 323.868 3.275 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCc1scnc1C ZINC001671350728 1197535765 /nfs/dbraw/zinc/53/57/65/1197535765.db2.gz BHXKPGHXFKJAHZ-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN(C(=O)c1cc(C)c(C)s1)C1CCN(CC=C)CC1 ZINC001671504263 1197543232 /nfs/dbraw/zinc/54/32/32/1197543232.db2.gz VCXJZGOIBTTWSM-UHFFFAOYSA-N 0 3 316.470 3.091 20 30 DGEDHN C#CCN(C(=O)N[C@H](C)C1CCCCCC1)C1CCN(C)CC1 ZINC001671522019 1197545515 /nfs/dbraw/zinc/54/55/15/1197545515.db2.gz CAKQZMIAEICCCV-MRXNPFEDSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001671593401 1197551137 /nfs/dbraw/zinc/55/11/37/1197551137.db2.gz JMJSDNJYYOXCLC-IEBWSBKVSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001671648108 1197557291 /nfs/dbraw/zinc/55/72/91/1197557291.db2.gz CNUWOCZFSRWORF-IBGZPJMESA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCCc2ccsc2)C1 ZINC001671891838 1197581421 /nfs/dbraw/zinc/58/14/21/1197581421.db2.gz HSRONDWDYUFHJW-SFHVURJKSA-N 0 3 320.502 3.475 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc(C)c2C)C1 ZINC001671916238 1197585029 /nfs/dbraw/zinc/58/50/29/1197585029.db2.gz HHOQSAYAAHOSFK-HXUWFJFHSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCNCC#CC)Cc1ccccc1 ZINC001672388166 1197609137 /nfs/dbraw/zinc/60/91/37/1197609137.db2.gz BXYCDWFEQHQQJA-UHFFFAOYSA-N 0 3 312.457 3.230 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)C(C)(F)F)cc1 ZINC001672943453 1197630108 /nfs/dbraw/zinc/63/01/08/1197630108.db2.gz MMTDWPHLQWTIKF-KBPBESRZSA-N 0 3 322.399 3.268 20 30 DGEDHN C=CCC1(C(=O)N2CC3(C2)CCN(C/C=C\Cl)CC3)CCC1 ZINC001673016276 1197634753 /nfs/dbraw/zinc/63/47/53/1197634753.db2.gz FBWCRXWAGAJOOT-WMZJFQQLSA-N 0 3 322.880 3.410 20 30 DGEDHN CC#CCNC1(CNC(=O)C(C)(C)C2CCCCC2)CCC1 ZINC001673219034 1197644468 /nfs/dbraw/zinc/64/44/68/1197644468.db2.gz QYHWTBDHZPRHSP-UHFFFAOYSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCCc3ccccc32)CCC1 ZINC001673230652 1197645689 /nfs/dbraw/zinc/64/56/89/1197645689.db2.gz VKMJGGJGYSSJCS-SFHVURJKSA-N 0 3 324.468 3.148 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CCCc2cccs2)CC1 ZINC001673407580 1197657439 /nfs/dbraw/zinc/65/74/39/1197657439.db2.gz SUBQWOKEYUHOLN-INIZCTEOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccc[nH]1 ZINC001673628716 1197679975 /nfs/dbraw/zinc/67/99/75/1197679975.db2.gz BTFFZGSGFLUFME-SFHVURJKSA-N 0 3 323.440 3.138 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC001673629905 1197680717 /nfs/dbraw/zinc/68/07/17/1197680717.db2.gz UTXRSXSIDWMDRG-DNVCBOLYSA-N 0 3 321.424 3.481 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C3(C4CC4)CC3)cc2C1 ZINC001673764909 1197691024 /nfs/dbraw/zinc/69/10/24/1197691024.db2.gz FKKGPJNGOCRGGN-UHFFFAOYSA-N 0 3 310.441 3.385 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001673898165 1197703524 /nfs/dbraw/zinc/70/35/24/1197703524.db2.gz LVYUXYGDBWBYLR-MAUKXSAKSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001674012305 1197721937 /nfs/dbraw/zinc/72/19/37/1197721937.db2.gz LBEMMMILZLXRMO-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C[C@H]1C ZINC001674155981 1197740807 /nfs/dbraw/zinc/74/08/07/1197740807.db2.gz RYKVPGOVCJFLCC-PVTFFILZSA-N 0 3 324.468 3.391 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](C)c1cccc(F)c1 ZINC001674480431 1197783405 /nfs/dbraw/zinc/78/34/05/1197783405.db2.gz HJKLDOWOMJWUAQ-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H](C)c1cccc(F)c1 ZINC001674480433 1197783868 /nfs/dbraw/zinc/78/38/68/1197783868.db2.gz HJKLDOWOMJWUAQ-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CCC(=O)NC1CC(CNCc2nc(C)c(C)s2)C1 ZINC001674546730 1197794690 /nfs/dbraw/zinc/79/46/90/1197794690.db2.gz PHNUDYNATVIIQY-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674672224 1197829493 /nfs/dbraw/zinc/82/94/93/1197829493.db2.gz FJHYSQLUOPEOKD-ZIAGYGMSSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001674674956 1197830042 /nfs/dbraw/zinc/83/00/42/1197830042.db2.gz ZNTWJXGGWBBRPM-NEPJUHHUSA-N 0 3 309.479 3.099 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001674728664 1197850530 /nfs/dbraw/zinc/85/05/30/1197850530.db2.gz IDUWDUVFPVHBQA-ZWKOTPCHSA-N 0 3 314.473 3.347 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCCN1Cc1scnc1C ZINC001675248095 1198019969 /nfs/dbraw/zinc/01/99/69/1198019969.db2.gz SVESORFLRHCHGR-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001675263334 1198027251 /nfs/dbraw/zinc/02/72/51/1198027251.db2.gz PNFMVTMFDWLYAU-HOTGVXAUSA-N 0 3 318.486 3.236 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001675417162 1198061787 /nfs/dbraw/zinc/06/17/87/1198061787.db2.gz CKTLDLQWPNJHRZ-IEBWSBKVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 ZINC001675504022 1198082716 /nfs/dbraw/zinc/08/27/16/1198082716.db2.gz INJABVWBQGYQSU-PHZGNYQRSA-N 0 3 318.848 3.100 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001675635788 1198098653 /nfs/dbraw/zinc/09/86/53/1198098653.db2.gz QGPZYTJFFPMICO-BRWVUGGUSA-N 0 3 322.880 3.149 20 30 DGEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)/C(C)=C\CC ZINC001675864383 1198160189 /nfs/dbraw/zinc/16/01/89/1198160189.db2.gz ZUEPHXIIHHHVBU-LWMSPQMPSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(F)c(C)c1 ZINC001675959163 1198180642 /nfs/dbraw/zinc/18/06/42/1198180642.db2.gz SUTGHJCFMHGKHR-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001676238814 1198256904 /nfs/dbraw/zinc/25/69/04/1198256904.db2.gz KHGKDKPUFIGPFY-KRWDZBQOSA-N 0 3 315.461 3.011 20 30 DGEDHN C[C@@H](CN(C)C(=O)C1CCCCC1)NCc1ccc(C#N)s1 ZINC001676300714 1198280540 /nfs/dbraw/zinc/28/05/40/1198280540.db2.gz YQWFSFZEFNWABE-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cccnc2)CCCC1 ZINC001676493188 1198337637 /nfs/dbraw/zinc/33/76/37/1198337637.db2.gz SIXHICZPBFTHHL-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3sccc3s2)C1 ZINC001676734517 1198376537 /nfs/dbraw/zinc/37/65/37/1198376537.db2.gz FPZOXCFJYOQQCN-RYUDHWBXSA-N 0 3 318.467 3.179 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](CCC)C(C)C)CCC[C@@H]12 ZINC001676813608 1198398137 /nfs/dbraw/zinc/39/81/37/1198398137.db2.gz AZKLSUCELCJISR-ZHALLVOQSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCC(=O)N[C@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001676816877 1198398574 /nfs/dbraw/zinc/39/85/74/1198398574.db2.gz UYLQHUGYFFYKKE-ZFWWWQNUSA-N 0 3 318.383 3.408 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)CCC(C)(C)C)CCC[C@@H]12 ZINC001676820055 1198399845 /nfs/dbraw/zinc/39/98/45/1198399845.db2.gz GNYLVSHDNKUBRO-GPMSIDNRSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)[C@H]1C ZINC001676867208 1198416198 /nfs/dbraw/zinc/41/61/98/1198416198.db2.gz NJYUQPDFHUQXFS-HKUYNNGSSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(C)s2)[C@H]1C ZINC001676897842 1198428382 /nfs/dbraw/zinc/42/83/82/1198428382.db2.gz HEFVQWGWVRVKDP-ZBFHGGJFSA-N 0 3 306.475 3.144 20 30 DGEDHN Cc1cc(C)cc(CN(C)CCN(C(=O)[C@@H](C)C#N)C(C)C)c1 ZINC001677191712 1198480727 /nfs/dbraw/zinc/48/07/27/1198480727.db2.gz RCDVWUMQZHBBOY-KRWDZBQOSA-N 0 3 315.461 3.132 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1nccc2occc21)C(C)C ZINC001677205215 1198486885 /nfs/dbraw/zinc/48/68/85/1198486885.db2.gz ONSSHXMLQOAIMY-UHFFFAOYSA-N 0 3 315.417 3.186 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1ccc(F)cc1F)C(C)C ZINC001677215373 1198491523 /nfs/dbraw/zinc/49/15/23/1198491523.db2.gz LDLGTIKWIJCCEU-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001677367252 1198523612 /nfs/dbraw/zinc/52/36/12/1198523612.db2.gz AOWZJBIJYASHMS-SJORKVTESA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001677632787 1198563607 /nfs/dbraw/zinc/56/36/07/1198563607.db2.gz WMVQSDADSNIXJF-ZDUSSCGKSA-N 0 3 320.383 3.003 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001677640405 1198565266 /nfs/dbraw/zinc/56/52/66/1198565266.db2.gz OKMHAWVXHKBWIG-SNAWJCMRSA-N 0 3 310.441 3.333 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC3CCC2CC3)CC1 ZINC001678668949 1198714886 /nfs/dbraw/zinc/71/48/86/1198714886.db2.gz ZHFNZWSTXRXGOQ-JCYILVPMSA-N 0 3 319.493 3.152 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001681712763 1199068492 /nfs/dbraw/zinc/06/84/92/1199068492.db2.gz BACDEHFGQSBAFD-ROUUACIJSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001681816534 1199087128 /nfs/dbraw/zinc/08/71/28/1199087128.db2.gz SQRPYTQQIFINPY-UHFFFAOYSA-N 0 3 309.498 3.496 20 30 DGEDHN C=CCC1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)CCCC1 ZINC001682501356 1199165527 /nfs/dbraw/zinc/16/55/27/1199165527.db2.gz XNDQDPBTQGBZOD-HZPDHXFCSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC(C)C ZINC001682683598 1199183512 /nfs/dbraw/zinc/18/35/12/1199183512.db2.gz MQLSMSSIRLQEFN-SJORKVTESA-N 0 3 309.498 3.351 20 30 DGEDHN C[C@@H]1CN(c2ncccc2C#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404310780 1199548913 /nfs/dbraw/zinc/54/89/13/1199548913.db2.gz KWXMCFBRYNBFCM-BRWVUGGUSA-N 0 3 320.440 3.441 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cccc(C(C)(C)C)c3)C2)C1 ZINC001688119850 1199696635 /nfs/dbraw/zinc/69/66/35/1199696635.db2.gz ULXXQDOIZOVMSF-UHFFFAOYSA-N 0 3 312.457 3.318 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC/C=C/CC)cc1 ZINC001688881302 1199940279 /nfs/dbraw/zinc/94/02/79/1199940279.db2.gz OYPXOWKHSUTJNL-GHOSXJJBSA-N 0 3 310.441 3.171 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1ccccc1 ZINC001688886437 1199942591 /nfs/dbraw/zinc/94/25/91/1199942591.db2.gz PCJNFONGIGGNSC-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001688888636 1199944210 /nfs/dbraw/zinc/94/42/10/1199944210.db2.gz LGVMADQEISFOMJ-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1F ZINC001688890800 1199945319 /nfs/dbraw/zinc/94/53/19/1199945319.db2.gz CSBFVKZWFRRAMY-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN CCC(=CC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)CC ZINC001688927982 1199962043 /nfs/dbraw/zinc/96/20/43/1199962043.db2.gz WLNOBVMDWVTLAS-MXVIHJGJSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C(C)(C)F ZINC001689039536 1200003793 /nfs/dbraw/zinc/00/37/93/1200003793.db2.gz YRUIFUXFMKVLJB-WCQYABFASA-N 0 3 304.837 3.094 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)[C@@H](C)c2ccccc2)C1 ZINC001753863022 1200011561 /nfs/dbraw/zinc/01/15/61/1200011561.db2.gz NEQGHDGJUXGMNE-INIZCTEOSA-N 0 3 300.446 3.494 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](CC(C)C)c1ccccc1 ZINC001753865396 1200016054 /nfs/dbraw/zinc/01/60/54/1200016054.db2.gz SWVGMTKFCVNINB-GOSISDBHSA-N 0 3 302.462 3.393 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001753865397 1200016726 /nfs/dbraw/zinc/01/67/26/1200016726.db2.gz SWVGMTKFCVNINB-SFHVURJKSA-N 0 3 302.462 3.393 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001753868939 1200022172 /nfs/dbraw/zinc/02/21/72/1200022172.db2.gz BCCINLXGDRGYAF-UHFFFAOYSA-N 0 3 318.505 3.415 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001753869185 1200022328 /nfs/dbraw/zinc/02/23/28/1200022328.db2.gz KERKYPFQDVTLQA-UHFFFAOYSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@H]1CC ZINC001689200153 1200058043 /nfs/dbraw/zinc/05/80/43/1200058043.db2.gz VULPOIDZDLDVFK-JKSUJKDBSA-N 0 3 306.475 3.144 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)CCCCCC)C[C@@H]2C1 ZINC001689227938 1200063613 /nfs/dbraw/zinc/06/36/13/1200063613.db2.gz CPJHGTQVJSMRMG-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@@H](NCc2cnoc2C)C1 ZINC001689262392 1200073737 /nfs/dbraw/zinc/07/37/37/1200073737.db2.gz PWPIJRVCJSTLMI-QGZVFWFLSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1 ZINC001754024834 1200076085 /nfs/dbraw/zinc/07/60/85/1200076085.db2.gz YVGFQVCBIGWGHL-UKRRQHHQSA-N 0 3 308.853 3.102 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)CC(C)=C(C)C ZINC001754061212 1200089861 /nfs/dbraw/zinc/08/98/61/1200089861.db2.gz KUUBYRROHFLTKO-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CNCc1ccc(C)cc1Cl ZINC001754224032 1200138920 /nfs/dbraw/zinc/13/89/20/1200138920.db2.gz WZGKOHJKSWKYFE-OAHLLOKOSA-N 0 3 320.864 3.436 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1oc2ccc(F)cc2c1C ZINC001754313180 1200197975 /nfs/dbraw/zinc/19/79/75/1200197975.db2.gz PQCFTIUCBQMBKK-NSHDSACASA-N 0 3 304.365 3.116 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1cccc(CC)c1 ZINC001754321846 1200211436 /nfs/dbraw/zinc/21/14/36/1200211436.db2.gz SUVRADKLPGAXIE-QGZVFWFLSA-N 0 3 314.473 3.379 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(CC)s1 ZINC001754385217 1200249282 /nfs/dbraw/zinc/24/92/82/1200249282.db2.gz MBQRHCDKHBSHEJ-UHFFFAOYSA-N 0 3 300.855 3.115 20 30 DGEDHN CC(C)(C)/C=C/C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754435837 1200261913 /nfs/dbraw/zinc/26/19/13/1200261913.db2.gz MRYHBAWZFNLLNQ-KQDNUWKFSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001754479637 1200290637 /nfs/dbraw/zinc/29/06/37/1200290637.db2.gz ZGBRUAYMWQWGBG-BDXSIMOUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001754489502 1200299936 /nfs/dbraw/zinc/29/99/36/1200299936.db2.gz 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C=CCCC(=O)N[C@@H]1CC[C@@H](CNCc2ccncc2Cl)C1 ZINC001755730913 1201050688 /nfs/dbraw/zinc/05/06/88/1201050688.db2.gz OURJKOYIBVPRCY-UKRRQHHQSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H]1C ZINC001692405488 1201053506 /nfs/dbraw/zinc/05/35/06/1201053506.db2.gz SHRKOMJWKHQTIG-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C(C)C ZINC001755813129 1201076661 /nfs/dbraw/zinc/07/66/61/1201076661.db2.gz XMDXMKINLOEMSZ-JKSUJKDBSA-N 0 3 306.475 3.206 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1ccccc1F)C(C)C ZINC001755814605 1201079094 /nfs/dbraw/zinc/07/90/94/1201079094.db2.gz IIDGHQGHDOTDMX-OAHLLOKOSA-N 0 3 306.425 3.284 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1cnoc1C)C(C)(C)C ZINC001755833906 1201095340 /nfs/dbraw/zinc/09/53/40/1201095340.db2.gz RSSZKGSYAZMDTE-OAHLLOKOSA-N 0 3 321.465 3.206 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001755838820 1201098658 /nfs/dbraw/zinc/09/86/58/1201098658.db2.gz GCKHHEOAUJCBGD-IRXDYDNUSA-N 0 3 320.452 3.436 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](C)c2cccs2)CC1 ZINC001755844715 1201102854 /nfs/dbraw/zinc/10/28/54/1201102854.db2.gz IAIAGDNIRSOJNL-HUUCEWRRSA-N 0 3 318.486 3.092 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC001755898573 1201124910 /nfs/dbraw/zinc/12/49/10/1201124910.db2.gz RKWWVLMNQCAQSZ-LJQANCHMSA-N 0 3 324.468 3.431 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cc1 ZINC001698559678 1201230787 /nfs/dbraw/zinc/23/07/87/1201230787.db2.gz PYIOGWQSXJKAQJ-CRAIPNDOSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccc(Cl)cc2)C1 ZINC001698568805 1201239106 /nfs/dbraw/zinc/23/91/06/1201239106.db2.gz KDZNLXQWEOUGAN-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001698570405 1201241890 /nfs/dbraw/zinc/24/18/90/1201241890.db2.gz UDCUPLADRIVYOU-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001698586510 1201260891 /nfs/dbraw/zinc/26/08/91/1201260891.db2.gz QGILXEQFEQUFIG-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001698587373 1201262159 /nfs/dbraw/zinc/26/21/59/1201262159.db2.gz NXHRLBAJHZYJPX-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC2CCCCCC2)C1 ZINC001698587798 1201262853 /nfs/dbraw/zinc/26/28/53/1201262853.db2.gz KZTNWOZQQXPJNX-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001698598781 1201270772 /nfs/dbraw/zinc/27/07/72/1201270772.db2.gz ZUTBECTYGBYCJX-FDPSAONLSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1ccccc1F ZINC001698610339 1201279705 /nfs/dbraw/zinc/27/97/05/1201279705.db2.gz UJMRRGBEOJUURE-OAHLLOKOSA-N 0 3 306.425 3.412 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1c(C)nsc1C)C1CC1 ZINC001698644264 1201308383 /nfs/dbraw/zinc/30/83/83/1201308383.db2.gz CUUFDPPKTBJHAC-KRWDZBQOSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001698668885 1201326916 /nfs/dbraw/zinc/32/69/16/1201326916.db2.gz KVPPOLPOZZWMLV-MWDXBVQZSA-N 0 3 324.896 3.393 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001698844960 1201499594 /nfs/dbraw/zinc/49/95/94/1201499594.db2.gz SNOKDPIDPWQSFX-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC001698905660 1201567614 /nfs/dbraw/zinc/56/76/14/1201567614.db2.gz RBRFOTXYSSLBMC-BYIUCRAPSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cc[nH]c1CC ZINC001698912727 1201570734 /nfs/dbraw/zinc/57/07/34/1201570734.db2.gz PPLGVNCRBNUAAY-CQSZACIVSA-N 0 3 323.868 3.304 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2cc[nH]c2c1)C(C)C ZINC001698970250 1201624794 /nfs/dbraw/zinc/62/47/94/1201624794.db2.gz HCOJOIXJQHKVJM-MRXNPFEDSA-N 0 3 319.836 3.264 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cc(C)ccc1C)C(C)C ZINC001698971801 1201628339 /nfs/dbraw/zinc/62/83/39/1201628339.db2.gz KWHICFHHOSQRGT-QGZVFWFLSA-N 0 3 322.880 3.329 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC001698974040 1201630777 /nfs/dbraw/zinc/63/07/77/1201630777.db2.gz NWJPBIJRNYHMPO-IXDOHACOSA-N 0 3 320.864 3.273 20 30 DGEDHN CN(CCN(C)C(=O)C#CC(C)(C)C)Cc1ccc(CF)cc1 ZINC001698987683 1201651852 /nfs/dbraw/zinc/65/18/52/1201651852.db2.gz XHWMWCADZYMBAU-UHFFFAOYSA-N 0 3 318.436 3.096 20 30 DGEDHN CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1ccccc1C#N ZINC001699023403 1201690926 /nfs/dbraw/zinc/69/09/26/1201690926.db2.gz ZKKQJJXEDOXMNZ-ROUUACIJSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)[C@H]1C ZINC001750933544 1201729896 /nfs/dbraw/zinc/72/98/96/1201729896.db2.gz GINRKMJTBYGHJI-JLSDUUJJSA-N 0 3 318.436 3.474 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001699261404 1201773795 /nfs/dbraw/zinc/77/37/95/1201773795.db2.gz HEDYXJOKSWMWDY-AATRIKPKSA-N 0 3 313.445 3.002 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(Cl)cc1F)C1CC1 ZINC001752265918 1201814775 /nfs/dbraw/zinc/81/47/75/1201814775.db2.gz JNYUPKHVECJYPT-UHFFFAOYSA-N 0 3 322.811 3.087 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1(C)CCCCC1 ZINC001699377048 1201823120 /nfs/dbraw/zinc/82/31/20/1201823120.db2.gz JXYFXEXWMWISCV-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001699378284 1201826004 /nfs/dbraw/zinc/82/60/04/1201826004.db2.gz IFCGGQOVTTYMGA-KDOFPFPSSA-N 0 3 306.425 3.331 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001752435128 1201838051 /nfs/dbraw/zinc/83/80/51/1201838051.db2.gz NFWSMOGYTPTASQ-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CCCC1(C)C ZINC001699418455 1201853002 /nfs/dbraw/zinc/85/30/02/1201853002.db2.gz VEYIJSCSBOIOEJ-SWLSCSKDSA-N 0 3 319.474 3.040 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC001752498025 1201856046 /nfs/dbraw/zinc/85/60/46/1201856046.db2.gz RFFMIIDPFGTXRI-LJQANCHMSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CN(C)Cc2ncccc2C)C1 ZINC001752504549 1201859811 /nfs/dbraw/zinc/85/98/11/1201859811.db2.gz PBXGHTZTCBCHKU-QGZVFWFLSA-N 0 3 315.461 3.027 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCCC ZINC001752532402 1201871169 /nfs/dbraw/zinc/87/11/69/1201871169.db2.gz PFVOSECWLCSLLJ-XDNAFOTISA-N 0 3 322.493 3.222 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCCC ZINC001752532404 1201871881 /nfs/dbraw/zinc/87/18/81/1201871881.db2.gz PFVOSECWLCSLLJ-XWTMOSNGSA-N 0 3 322.493 3.222 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001752627562 1201880462 /nfs/dbraw/zinc/88/04/62/1201880462.db2.gz LBSMXAQNUACKCF-SHTZXODSSA-N 0 3 322.811 3.019 20 30 DGEDHN CC(C)c1ccccc1CN(C)C[C@@H](C)NC(=O)C#CC1CC1 ZINC001699449066 1201886974 /nfs/dbraw/zinc/88/69/74/1201886974.db2.gz RZAVFSJEJIUYFO-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@@H](C)C(C)(C)C ZINC001699451721 1201890217 /nfs/dbraw/zinc/89/02/17/1201890217.db2.gz YHCCLSZRKRDRLB-LSDHHAIUSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1cnc(C)o1 ZINC001699481005 1201922843 /nfs/dbraw/zinc/92/28/43/1201922843.db2.gz GAYQNIZBNALWKV-WBVHZDCISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001699533095 1201938119 /nfs/dbraw/zinc/93/81/19/1201938119.db2.gz BDWVBVBLFVKZBO-LBPRGKRZSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001699541199 1201942024 /nfs/dbraw/zinc/94/20/24/1201942024.db2.gz CNEJHZZWZVQBKE-INIZCTEOSA-N 0 3 320.864 3.297 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](CCCC)C(C)C ZINC001752825037 1201953553 /nfs/dbraw/zinc/95/35/53/1201953553.db2.gz KJBXHQZCXKYFSP-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC001752837749 1201962695 /nfs/dbraw/zinc/96/26/95/1201962695.db2.gz NAVNRNXXJVWXGO-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001752841066 1201966254 /nfs/dbraw/zinc/96/62/54/1201966254.db2.gz OFGUMBFYRABURZ-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001752871717 1201986057 /nfs/dbraw/zinc/98/60/57/1201986057.db2.gz GOMXVJBNBPDEIW-OAHLLOKOSA-N 0 3 320.864 3.436 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001752873843 1201988387 /nfs/dbraw/zinc/98/83/87/1201988387.db2.gz XPPQNATWHQZSTR-OAHLLOKOSA-N 0 3 312.413 3.221 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001699624794 1201988440 /nfs/dbraw/zinc/98/84/40/1201988440.db2.gz WIOHVSSQWXVFMA-HIFRSBDPSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001699627723 1201990877 /nfs/dbraw/zinc/99/08/77/1201990877.db2.gz KEVKYQXJTCBKEI-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001699627791 1201991235 /nfs/dbraw/zinc/99/12/35/1201991235.db2.gz YSFYSSJTHXWTMG-UONOGXRCSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001699640265 1202006151 /nfs/dbraw/zinc/00/61/51/1202006151.db2.gz VDEGXYNYHQDYQM-MRXNPFEDSA-N 0 3 318.848 3.138 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001699648122 1202012061 /nfs/dbraw/zinc/01/20/61/1202012061.db2.gz WOKOVSLSAXIXHQ-GOEBONIOSA-N 0 3 311.429 3.327 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)(C)C ZINC001699689111 1202035355 /nfs/dbraw/zinc/03/53/55/1202035355.db2.gz WATZTUDHUZDZEH-CALCHBBNSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)/C(C)=C\C)cc1 ZINC001752983232 1202035551 /nfs/dbraw/zinc/03/55/51/1202035551.db2.gz ZJBFPZKWBMZIRB-PQMHYQBVSA-N 0 3 306.837 3.154 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001752996278 1202046241 /nfs/dbraw/zinc/04/62/41/1202046241.db2.gz BLQPLHQAZAOEBE-IBGZPJMESA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCCc2ccc(F)cc2)CC1 ZINC001699773293 1202074757 /nfs/dbraw/zinc/07/47/57/1202074757.db2.gz ODMUUTWCLKPCOB-UHFFFAOYSA-N 0 3 318.436 3.305 20 30 DGEDHN CCCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CCCC1 ZINC001699787061 1202078212 /nfs/dbraw/zinc/07/82/12/1202078212.db2.gz GYTFNHLBNBBRFD-INIZCTEOSA-N 0 3 319.474 3.184 20 30 DGEDHN C#CCNC[C@@H](NC(=O)c1ccco1)c1ccc2ccccc2c1 ZINC001699789467 1202079615 /nfs/dbraw/zinc/07/96/15/1202079615.db2.gz PXMBCEZTGMDQOS-GOSISDBHSA-N 0 3 318.376 3.127 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001699826069 1202101146 /nfs/dbraw/zinc/10/11/46/1202101146.db2.gz YVRPQFOCBNDDSW-AWEZNQCLSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cc3c(cccc3C)o2)CC1 ZINC001699867043 1202122608 /nfs/dbraw/zinc/12/26/08/1202122608.db2.gz QGQCCKVEPVRBES-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3ncccc32)C1 ZINC001699873962 1202129928 /nfs/dbraw/zinc/12/99/28/1202129928.db2.gz KNZKZODPHIJBMW-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001699876394 1202131776 /nfs/dbraw/zinc/13/17/76/1202131776.db2.gz FOVKVTZXYSIGMQ-APWZRJJASA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2scnc2C(C)C)C1 ZINC001699878246 1202133800 /nfs/dbraw/zinc/13/38/00/1202133800.db2.gz QBONDLYJWNPKME-KRWDZBQOSA-N 0 3 321.490 3.284 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)SC)c1ccccc1CC ZINC001699933043 1202140278 /nfs/dbraw/zinc/14/02/78/1202140278.db2.gz KNXWOBYVZGGQJE-RHSMWYFYSA-N 0 3 320.502 3.324 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN2Cc2ccc(C)cc2)C1 ZINC001753111624 1202140905 /nfs/dbraw/zinc/14/09/05/1202140905.db2.gz LUANJBCCQNLJIX-SFHVURJKSA-N 0 3 312.457 3.432 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CCC3(C)CC3)C2)CC1 ZINC001699932970 1202140907 /nfs/dbraw/zinc/14/09/07/1202140907.db2.gz KESQYIFJSRVSNX-SFHVURJKSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@]1(C)CC=CCC1 ZINC001699984371 1202157454 /nfs/dbraw/zinc/15/74/54/1202157454.db2.gz NJOMMXFJSCUPCD-OAQYLSRUSA-N 0 3 324.468 3.375 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@](C)(CC)CCCCCC)C[C@@H]2C1 ZINC001699994160 1202161128 /nfs/dbraw/zinc/16/11/28/1202161128.db2.gz KLMMPLIIOWSKMY-WSTZPKSXSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCCc2ccccc21)C1CC1 ZINC001753155082 1202171901 /nfs/dbraw/zinc/17/19/01/1202171901.db2.gz AKHKPHXGBGXGGW-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001700077438 1202173630 /nfs/dbraw/zinc/17/36/30/1202173630.db2.gz FLYUJNBYYXVJSH-OAHLLOKOSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1(F)CCCC1 ZINC001700092095 1202178540 /nfs/dbraw/zinc/17/85/40/1202178540.db2.gz ULBNQJZLHCIVEI-UHFFFAOYSA-N 0 3 316.420 3.040 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CC(C)(C)C ZINC001700092124 1202178829 /nfs/dbraw/zinc/17/88/29/1202178829.db2.gz VRVZZXHYSWEAJN-UHFFFAOYSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2nocc2C)CC1 ZINC001700102751 1202181763 /nfs/dbraw/zinc/18/17/63/1202181763.db2.gz AGIMUAZMZRLXSQ-WKILWMFISA-N 0 3 319.449 3.104 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CC)CCCC)C2)CC1 ZINC001700107983 1202183172 /nfs/dbraw/zinc/18/31/72/1202183172.db2.gz PDJVQUPVVIOMBX-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(-c2ccoc2)c1 ZINC001700194811 1202207914 /nfs/dbraw/zinc/20/79/14/1202207914.db2.gz YMGGYWVRNCBYPK-UHFFFAOYSA-N 0 3 324.424 3.364 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)Cc1ccc2ccccc2c1 ZINC001700203781 1202210727 /nfs/dbraw/zinc/21/07/27/1202210727.db2.gz XASHXYZLQUHIEP-UHFFFAOYSA-N 0 3 322.452 3.186 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC ZINC001700224065 1202214114 /nfs/dbraw/zinc/21/41/14/1202214114.db2.gz MCRNILSNTDMVMS-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CN(C)Cc2c(C)nsc2C)C1 ZINC001753345222 1202220723 /nfs/dbraw/zinc/22/07/23/1202220723.db2.gz GLIGZMPJAOYTQH-OAHLLOKOSA-N 0 3 321.490 3.006 20 30 DGEDHN C=CCCC(=O)N1CCC(C)(NCc2nc(C)c(C)s2)CC1 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3.315 20 30 DGEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001753421119 1202248317 /nfs/dbraw/zinc/24/83/17/1202248317.db2.gz WZFUSGHSKFKKJB-HOTGVXAUSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C(C)C ZINC001753426129 1202249321 /nfs/dbraw/zinc/24/93/21/1202249321.db2.gz NECXHUSUCHRVIQ-ILXRZTDVSA-N 0 3 317.433 3.051 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]2CN(C)CCOCC)CCCC1 ZINC001700363883 1202250728 /nfs/dbraw/zinc/25/07/28/1202250728.db2.gz LADIEPHOIOVAJP-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]([C@@H]2CCN(CCF)C2)C1 ZINC001700363455 1202251096 /nfs/dbraw/zinc/25/10/96/1202251096.db2.gz ISHHMZMZYVKBPL-JKSUJKDBSA-N 0 3 310.457 3.119 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001700366917 1202252760 /nfs/dbraw/zinc/25/27/60/1202252760.db2.gz ZZUHJVQEXAWDDG-ZWKOTPCHSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C)c(CC)s1 ZINC001700366417 1202253065 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C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cccc(OC)c1 ZINC001700448063 1202274895 /nfs/dbraw/zinc/27/48/95/1202274895.db2.gz XBSYXOZNFCNNNJ-UHFFFAOYSA-N 0 3 324.852 3.136 20 30 DGEDHN CC(C)c1ccccc1CN(C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001700460329 1202281315 /nfs/dbraw/zinc/28/13/15/1202281315.db2.gz KWBKCZAPERXUGC-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(F)c2ccccc12 ZINC001700479065 1202290139 /nfs/dbraw/zinc/29/01/39/1202290139.db2.gz YZGBODNLSUBTGX-ZDUSSCGKSA-N 0 3 300.377 3.215 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001700480203 1202290964 /nfs/dbraw/zinc/29/09/64/1202290964.db2.gz FKONSSLJOCTINZ-HNNXBMFYSA-N 0 3 302.462 3.149 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC1CCN(Cc2cccnc2)CC1 ZINC001753596627 1202296370 /nfs/dbraw/zinc/29/63/70/1202296370.db2.gz CKNMCZMHIJYBRD-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001700530189 1202307053 /nfs/dbraw/zinc/30/70/53/1202307053.db2.gz BBLNFAFHOPBZBY-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN CC1(C)C[C@H]1C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001753661941 1202307929 /nfs/dbraw/zinc/30/79/29/1202307929.db2.gz ARTMCHOQJBZMLB-SFHVURJKSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001753715340 1202319891 /nfs/dbraw/zinc/31/98/91/1202319891.db2.gz VEQWPSVDPMBCRF-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1=CCCC1 ZINC001753732273 1202323566 /nfs/dbraw/zinc/32/35/66/1202323566.db2.gz DYPMUXJWVUQRQK-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001700644206 1202327354 /nfs/dbraw/zinc/32/73/54/1202327354.db2.gz SLUXJHLIYSIGRH-RBSFLKMASA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H](C)C(C)(F)F ZINC001753795907 1202334985 /nfs/dbraw/zinc/33/49/85/1202334985.db2.gz IBORJQJNOWFHMK-OLZOCXBDSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001701027436 1202383341 /nfs/dbraw/zinc/38/33/41/1202383341.db2.gz GETSIDKXAWOOER-UHFFFAOYSA-N 0 3 305.249 3.241 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)CCC1 ZINC001700768859 1202351601 /nfs/dbraw/zinc/35/16/01/1202351601.db2.gz WFZDGUWVXGFAKS-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1c2ccccc2oc1CC ZINC001700780385 1202354191 /nfs/dbraw/zinc/35/41/91/1202354191.db2.gz LEJWJRHNWHJCKV-CQSZACIVSA-N 0 3 312.413 3.069 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)[C@H]1C ZINC001700812076 1202354720 /nfs/dbraw/zinc/35/47/20/1202354720.db2.gz MQXVSNSKSLSKIS-MLGOLLRUSA-N 0 3 308.372 3.010 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)[C@@H]1C ZINC001700818732 1202355497 /nfs/dbraw/zinc/35/54/97/1202355497.db2.gz ZFIJNTORVSLREB-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1N(Cc1scnc1C)CC2 ZINC001700857762 1202359663 /nfs/dbraw/zinc/35/96/63/1202359663.db2.gz GOJRXVSWNCGKSI-WBVHZDCISA-N 0 3 319.474 3.031 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700857782 1202360325 /nfs/dbraw/zinc/36/03/25/1202360325.db2.gz GTFXWSBFPYCPFH-UYAOXDASSA-N 0 3 323.440 3.138 20 30 DGEDHN C/C=C(\C)C(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700861730 1202361041 /nfs/dbraw/zinc/36/10/41/1202361041.db2.gz WZRDNEWBQMNELB-MUNHBCDVSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)C/C=C\c2ccc(F)cc2)[C@@H]1C ZINC001700878577 1202363780 /nfs/dbraw/zinc/36/37/80/1202363780.db2.gz QYCLZIUYXSXVQY-HRHLHYAFSA-N 0 3 316.420 3.384 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOCCCC)[C@H]1C ZINC001700880952 1202364800 /nfs/dbraw/zinc/36/48/00/1202364800.db2.gz NPMASTYFNQPGIZ-DLBZAZTESA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCC(=O)N[C@H]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001700894738 1202367044 /nfs/dbraw/zinc/36/70/44/1202367044.db2.gz FOJSGWWKGZUHDD-QAPCUYQASA-N 0 3 313.445 3.123 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001700946280 1202371785 /nfs/dbraw/zinc/37/17/85/1202371785.db2.gz YSNNZWSHBLSWRW-CVEARBPZSA-N 0 3 310.457 3.145 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCC2(CC2)C1)C(C)C ZINC001700970901 1202372385 /nfs/dbraw/zinc/37/23/85/1202372385.db2.gz FEDVHRDMWRFSRV-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccccc1CC)C(C)C ZINC001700972345 1202373347 /nfs/dbraw/zinc/37/33/47/1202373347.db2.gz FORSPIXYQAWCEU-UHFFFAOYSA-N 0 3 300.446 3.055 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(C)(C)CC)CC[C@@H]1C(F)(F)F ZINC001701014807 1202381626 /nfs/dbraw/zinc/38/16/26/1202381626.db2.gz HNNLLHFVNMNQDA-STQMWFEESA-N 0 3 320.399 3.368 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1=CCN(Cc2ccc(C)cc2)CC1 ZINC001701055330 1202385704 /nfs/dbraw/zinc/38/57/04/1202385704.db2.gz PSDDBAYROIETNK-UHFFFAOYSA-N 0 3 312.457 3.456 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cccc(C)c1Cl ZINC001707045465 1202568855 /nfs/dbraw/zinc/56/88/55/1202568855.db2.gz FWXXPIIPQAFIQX-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC001707050131 1202569577 /nfs/dbraw/zinc/56/95/77/1202569577.db2.gz COKKTUHCDMEHDA-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001707093839 1202573107 /nfs/dbraw/zinc/57/31/07/1202573107.db2.gz FHSZFVQKINJUQB-RYQLBKOJSA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001707095923 1202573337 /nfs/dbraw/zinc/57/33/37/1202573337.db2.gz XWEPKMYBLPKMBA-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC001707263934 1202579275 /nfs/dbraw/zinc/57/92/75/1202579275.db2.gz KJQPHQLQBUVKRS-KGLIPLIRSA-N 0 3 309.479 3.306 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001707281282 1202580713 /nfs/dbraw/zinc/58/07/13/1202580713.db2.gz HNOFAMCPBUARLL-VSGCLNPGSA-N 0 3 310.869 3.149 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001707413339 1202583577 /nfs/dbraw/zinc/58/35/77/1202583577.db2.gz UYIHRBWLCDRZHT-SFHVURJKSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cnccc1C ZINC001707445255 1202585326 /nfs/dbraw/zinc/58/53/26/1202585326.db2.gz WQWSKKRTKTZYQY-GOEBONIOSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001712998236 1202609000 /nfs/dbraw/zinc/60/90/00/1202609000.db2.gz CUVFZZXBOXUYPK-XJKSGUPXSA-N 0 3 323.868 3.059 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001713000846 1202609330 /nfs/dbraw/zinc/60/93/30/1202609330.db2.gz WFUFLYOKYHHYCE-NWDGAFQWSA-N 0 3 308.800 3.143 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCC(C)=C(C)C1)C1CC1 ZINC001713037542 1202611815 /nfs/dbraw/zinc/61/18/15/1202611815.db2.gz GGVIAGRQFXAFJH-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCCc2ccccc2)CC1 ZINC001713096234 1202616630 /nfs/dbraw/zinc/61/66/30/1202616630.db2.gz YROMFCQCEOXTAP-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001713098763 1202616829 /nfs/dbraw/zinc/61/68/29/1202616829.db2.gz VEJGZDVQHXMIBZ-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCC2(F)F)CC1 ZINC001713101411 1202617139 /nfs/dbraw/zinc/61/71/39/1202617139.db2.gz STIOXQAYCDTSEC-OAHLLOKOSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C2C=CC=CC=C2)CC1 ZINC001713101567 1202617378 /nfs/dbraw/zinc/61/73/78/1202617378.db2.gz WBMMLCQPQUFWNJ-UHFFFAOYSA-N 0 3 300.446 3.174 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1)CC ZINC001713106823 1202617928 /nfs/dbraw/zinc/61/79/28/1202617928.db2.gz HWCHLIHUWYHLNM-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001713114861 1202618416 /nfs/dbraw/zinc/61/84/16/1202618416.db2.gz SDFIFECODSSPCQ-GFCCVEGCSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)Cc2cnc(C)s2)C1 ZINC001713128037 1202619744 /nfs/dbraw/zinc/61/97/44/1202619744.db2.gz JPFSTOKIHUJVDK-HNNXBMFYSA-N 0 3 321.490 3.088 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001713143024 1202621813 /nfs/dbraw/zinc/62/18/13/1202621813.db2.gz OZJMGUQDFHEXJR-IXDOHACOSA-N 0 3 302.462 3.208 20 30 DGEDHN CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC#Cc1ccccc1 ZINC001713145193 1202621924 /nfs/dbraw/zinc/62/19/24/1202621924.db2.gz QQIFYVQELNFAGI-BGYRXZFFSA-N 0 3 324.468 3.150 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001713202230 1202626271 /nfs/dbraw/zinc/62/62/71/1202626271.db2.gz XLZGIYOLCBLETL-BNOWGMLFSA-N 0 3 300.874 3.438 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001713204486 1202626520 /nfs/dbraw/zinc/62/65/20/1202626520.db2.gz WNILUZMTGDTYNC-QRVBRYPASA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001713211149 1202627431 /nfs/dbraw/zinc/62/74/31/1202627431.db2.gz FCTZCBHDLITTIG-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001713251868 1202631603 /nfs/dbraw/zinc/63/16/03/1202631603.db2.gz 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/nfs/dbraw/zinc/64/76/08/1202647608.db2.gz DRIJLOYDJNWWCF-LLVKDONJSA-N 0 3 316.779 3.475 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)Cc1ccccc1 ZINC001713434724 1202649490 /nfs/dbraw/zinc/64/94/90/1202649490.db2.gz HYWMZZJHZRMFAY-KRWDZBQOSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CCC(F)F ZINC001713433834 1202649542 /nfs/dbraw/zinc/64/95/42/1202649542.db2.gz IOPJNOAHXSBNLW-LBPRGKRZSA-N 0 3 308.800 3.145 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001713455255 1202652238 /nfs/dbraw/zinc/65/22/38/1202652238.db2.gz RMLZBPVKOWMVND-UHFFFAOYSA-N 0 3 300.446 3.080 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)Cc1ccccc1C(C)C ZINC001713483584 1202657443 /nfs/dbraw/zinc/65/74/43/1202657443.db2.gz DJDRRVNWVWCBNF-UHFFFAOYSA-N 0 3 314.473 3.408 20 30 DGEDHN C=CCCCCCN1CCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001713500832 1202661021 /nfs/dbraw/zinc/66/10/21/1202661021.db2.gz PJJSZQNTNAYKBS-OAHLLOKOSA-N 0 3 321.490 3.392 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC[C@H](C)c1ccccc1 ZINC001713514801 1202663341 /nfs/dbraw/zinc/66/33/41/1202663341.db2.gz IRXUSQWERNYGRQ-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1nsc2ccccc21)C1CC1 ZINC001713556926 1202670121 /nfs/dbraw/zinc/67/01/21/1202670121.db2.gz FUPIKZACHJYNFJ-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1sc(C)cc1C)C1CC1 ZINC001713564817 1202671258 /nfs/dbraw/zinc/67/12/58/1202671258.db2.gz MPGVGWRIYJUPHC-UHFFFAOYSA-N 0 3 306.475 3.064 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](C)Cc1cccc(Cl)c1)C1CC1 ZINC001713566481 1202671927 /nfs/dbraw/zinc/67/19/27/1202671927.db2.gz ZIGGVWMYOLBQLT-AWEZNQCLSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2ccc(Cl)nc2)CC1 ZINC001713631200 1202674210 /nfs/dbraw/zinc/67/42/10/1202674210.db2.gz VSXSZLQCAVRSGK-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001713665440 1202675688 /nfs/dbraw/zinc/67/56/88/1202675688.db2.gz HNIIQLPVUZZQGC-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCCC(=O)N1CCC([C@@H](C)NCc2cc(C)no2)CC1 ZINC001713679801 1202676546 /nfs/dbraw/zinc/67/65/46/1202676546.db2.gz DFXHNKVJPAQYFZ-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC[NH2+][C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001713696161 1202678300 /nfs/dbraw/zinc/67/83/00/1202678300.db2.gz AAUCXGUIUKPYGS-GOSISDBHSA-N 0 3 324.424 3.419 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC1CC(C)(C)C1)c1ccccc1 ZINC001713700384 1202678497 /nfs/dbraw/zinc/67/84/97/1202678497.db2.gz DRCCKBBCBDDZGG-KRWDZBQOSA-N 0 3 300.446 3.446 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001713715659 1202680326 /nfs/dbraw/zinc/68/03/26/1202680326.db2.gz ACPRTXBQMFONHJ-LJQANCHMSA-N 0 3 314.473 3.213 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2scnc2CC)C1 ZINC001713717084 1202680683 /nfs/dbraw/zinc/68/06/83/1202680683.db2.gz DWSJWNQALRBDRZ-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccn(CC)c2C)C1 ZINC001713718284 1202680986 /nfs/dbraw/zinc/68/09/86/1202680986.db2.gz DAFHSUPZYJFBMU-KRWDZBQOSA-N 0 3 317.477 3.319 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccc(C)cc2)C1 ZINC001713717862 1202681040 /nfs/dbraw/zinc/68/10/40/1202681040.db2.gz UYGGTVAUWQRCFU-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC(C2CC2)C2CC2)C1 ZINC001713722960 1202682262 /nfs/dbraw/zinc/68/22/62/1202682262.db2.gz XZCXIULHGBMVJE-GOSISDBHSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1)C1CC1 ZINC001713775591 1202689170 /nfs/dbraw/zinc/68/91/70/1202689170.db2.gz IXTUUKPXZMIXCG-UHFFFAOYSA-N 0 3 323.440 3.002 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCc2ccc(CC)cc2)C1 ZINC001713788303 1202690816 /nfs/dbraw/zinc/69/08/16/1202690816.db2.gz WUUDTWWDLDFXSS-IBGZPJMESA-N 0 3 314.473 3.338 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001713838580 1202694518 /nfs/dbraw/zinc/69/45/18/1202694518.db2.gz SSKRWGUMNGRASQ-IRXDYDNUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001713902528 1202701111 /nfs/dbraw/zinc/70/11/11/1202701111.db2.gz 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C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001714004511 1202723534 /nfs/dbraw/zinc/72/35/34/1202723534.db2.gz NCTGJICHRWKMBH-QWQRMKEZSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2cccc(C)c2)C1 ZINC001714045255 1202749109 /nfs/dbraw/zinc/74/91/09/1202749109.db2.gz GQFIXDCTIZJXAF-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CC(C)(C)C(F)(F)F)C1 ZINC001714050505 1202752552 /nfs/dbraw/zinc/75/25/52/1202752552.db2.gz QQINMLMCGOUWEA-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001714112887 1202785056 /nfs/dbraw/zinc/78/50/56/1202785056.db2.gz BDUBELOOHVECLM-PKOBYXMFSA-N 0 3 312.457 3.093 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CC=C)CCC1 ZINC001714146673 1202803039 /nfs/dbraw/zinc/80/30/39/1202803039.db2.gz ZTDNGIYTOXARKX-QZTJIDSGSA-N 0 3 314.473 3.212 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC2CC(C)(C)C2)C1 ZINC001714154801 1202808664 /nfs/dbraw/zinc/80/86/64/1202808664.db2.gz 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/nfs/dbraw/zinc/90/97/43/1202909743.db2.gz KHAFUVKYHNOPDA-CABCVRRESA-N 0 3 321.490 3.243 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC001714406178 1202915602 /nfs/dbraw/zinc/91/56/02/1202915602.db2.gz FIRNDZWEFCPOKM-HOTGVXAUSA-N 0 3 319.449 3.165 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001714415066 1202919396 /nfs/dbraw/zinc/91/93/96/1202919396.db2.gz ZSWCUKKIVXFLPR-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1ccc(C)cc1C ZINC001714481977 1202955078 /nfs/dbraw/zinc/95/50/78/1202955078.db2.gz KRNZRRXXRSQBDD-MRXNPFEDSA-N 0 3 322.880 3.473 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@@H](C)NCc2oc(C)nc2C)CC1 ZINC001714486140 1202957705 /nfs/dbraw/zinc/95/77/05/1202957705.db2.gz FOVKUMHBRZZEEW-CYBMUJFWSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC(C)(C)C(F)(F)F ZINC001714498551 1202964020 /nfs/dbraw/zinc/96/40/20/1202964020.db2.gz PAGWHLUCUHZREP-JTQLQIEISA-N 0 3 314.779 3.202 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)C(CC)CC)CC2 ZINC001714521194 1202976343 /nfs/dbraw/zinc/97/63/43/1202976343.db2.gz LAPFLBGSDBPLIG-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C[C@H](C#N)C(=O)NCCN(C)Cc1ccc(-c2ccccc2)cc1 ZINC001714535887 1202984709 /nfs/dbraw/zinc/98/47/09/1202984709.db2.gz GVQFSSAAHLNKMA-MRXNPFEDSA-N 0 3 321.424 3.061 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001714549828 1202994210 /nfs/dbraw/zinc/99/42/10/1202994210.db2.gz REBFSYFPKGIWMP-HUUCEWRRSA-N 0 3 320.864 3.174 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1CCCN1Cc1ccccc1C1CC1 ZINC001714605702 1203044849 /nfs/dbraw/zinc/04/48/49/1203044849.db2.gz HNSFWVIOLLCYLH-LJQANCHMSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCN(CCNC(=O)C(C)(C)c1ccc(Cl)cc1)C1CC1 ZINC001714670623 1203093298 /nfs/dbraw/zinc/09/32/98/1203093298.db2.gz PKWBMFGDVCKZSY-UHFFFAOYSA-N 0 3 320.864 3.384 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001714752835 1203118929 /nfs/dbraw/zinc/11/89/29/1203118929.db2.gz QPHAVYQMGSDORD-KRWDZBQOSA-N 0 3 310.388 3.115 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001714770401 1203122927 /nfs/dbraw/zinc/12/29/27/1203122927.db2.gz AHOJUSQUFQXYHG-HNNXBMFYSA-N 0 3 319.424 3.072 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)CC1CC1 ZINC001714812530 1203134636 /nfs/dbraw/zinc/13/46/36/1203134636.db2.gz NIPKRCGAVNJTAX-UHFFFAOYSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(F)cc1C)c1ccccc1 ZINC001714843540 1203148270 /nfs/dbraw/zinc/14/82/70/1203148270.db2.gz DQYMPTOGBWBVRA-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccccc1OCC)c1ccccc1 ZINC001714850117 1203151113 /nfs/dbraw/zinc/15/11/13/1203151113.db2.gz RWOCVMVJNYZPON-GOSISDBHSA-N 0 3 324.424 3.332 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccccc1OC)c1ccccc1 ZINC001714851554 1203152566 /nfs/dbraw/zinc/15/25/66/1203152566.db2.gz XJZVXQASFFVEMI-SFHVURJKSA-N 0 3 324.424 3.332 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(F)cc2C)C1 ZINC001714863599 1203162121 /nfs/dbraw/zinc/16/21/21/1203162121.db2.gz UOEHLCPWXZOQRE-KRWDZBQOSA-N 0 3 316.420 3.084 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001714868503 1203166518 /nfs/dbraw/zinc/16/65/18/1203166518.db2.gz VKEMJVWXUYJXFJ-QGZVFWFLSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001714992421 1203228958 /nfs/dbraw/zinc/22/89/58/1203228958.db2.gz UMJXZRVKOJRYED-YESZJQIVSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)c1ccccc1 ZINC001714994047 1203230257 /nfs/dbraw/zinc/23/02/57/1203230257.db2.gz AIGCJIXOUMDJCN-GBESFXJTSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(CCOC2CCCCCC2)C1 ZINC001715014525 1203237765 /nfs/dbraw/zinc/23/77/65/1203237765.db2.gz JRFNDULSEVUPNO-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001715046582 1203253551 /nfs/dbraw/zinc/25/35/51/1203253551.db2.gz PFXPGAPHWGGTRG-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccc(Cl)nc1 ZINC001715068945 1203261414 /nfs/dbraw/zinc/26/14/14/1203261414.db2.gz BXNJYHHVAAGWQL-PBHICJAKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[C@@H](F)C2)CCCC1 ZINC001715095898 1203271781 /nfs/dbraw/zinc/27/17/81/1203271781.db2.gz WLMLUCOCUAXIMX-UONOGXRCSA-N 0 3 316.848 3.286 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccc(C)c1)C1CC1 ZINC001715112353 1203276287 /nfs/dbraw/zinc/27/62/87/1203276287.db2.gz WSFVAVNXMCAHJO-QGZVFWFLSA-N 0 3 306.837 3.236 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@](C)(CC)CCC)cc1 ZINC001715196257 1203293732 /nfs/dbraw/zinc/29/37/32/1203293732.db2.gz KXNLTOBTNFFIEH-LJQANCHMSA-N 0 3 300.446 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC2CC(C)(C)C2)cc1 ZINC001715198095 1203294490 /nfs/dbraw/zinc/29/44/90/1203294490.db2.gz ROFQFJXDJTVAGX-UHFFFAOYSA-N 0 3 312.457 3.242 20 30 DGEDHN CCC(CC)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001715322147 1203315778 /nfs/dbraw/zinc/31/57/78/1203315778.db2.gz LNBVVEWUXRVHQO-OAHLLOKOSA-N 0 3 318.436 3.050 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001715336093 1203318483 /nfs/dbraw/zinc/31/84/83/1203318483.db2.gz KOROCUHLYWTMEM-NQIIRXRSSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cnccc2C)CCC1 ZINC001715366137 1203325907 /nfs/dbraw/zinc/32/59/07/1203325907.db2.gz ZRTUPCAKNNWCHT-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN CCC(CC)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001715370388 1203327139 /nfs/dbraw/zinc/32/71/39/1203327139.db2.gz VIPKMXSFZHWDSA-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN CCCCC(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001715386281 1203331366 /nfs/dbraw/zinc/33/13/66/1203331366.db2.gz WDUVIZKNFKDODL-IBGZPJMESA-N 0 3 314.473 3.349 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cscn2)[C@@H](C)C1 ZINC001715421696 1203338945 /nfs/dbraw/zinc/33/89/45/1203338945.db2.gz ZTJQWQMTUHBHNP-ZFWWWQNUSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001715443341 1203342275 /nfs/dbraw/zinc/34/22/75/1203342275.db2.gz CEUJCMUJWQMXCO-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001715459730 1203344424 /nfs/dbraw/zinc/34/44/24/1203344424.db2.gz GGDPZDUNYXBSNX-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc[nH]c1CCC)C(C)C ZINC001715504743 1203354279 /nfs/dbraw/zinc/35/42/79/1203354279.db2.gz GRPYITLUIRSZOY-HNNXBMFYSA-N 0 3 311.857 3.064 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001715529554 1203362443 /nfs/dbraw/zinc/36/24/43/1203362443.db2.gz PBTQJBAIZWXCIB-UHFFFAOYSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001715536451 1203365857 /nfs/dbraw/zinc/36/58/57/1203365857.db2.gz GQCTUIZADPOOHF-UHFFFAOYSA-N 0 3 308.491 3.453 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](c1cccnc1)C(C)C ZINC001715702935 1203382001 /nfs/dbraw/zinc/38/20/01/1203382001.db2.gz XADNQSOOCIAHPI-ZBFHGGJFSA-N 0 3 323.868 3.058 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001715826412 1203396029 /nfs/dbraw/zinc/39/60/29/1203396029.db2.gz LULGHRBIGIXCLO-MYQAUKPYSA-N 0 3 304.478 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001716174227 1203445874 /nfs/dbraw/zinc/44/58/74/1203445874.db2.gz OBLWDTFYBWCDHY-NWDGAFQWSA-N 0 3 300.855 3.089 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001715960224 1203411652 /nfs/dbraw/zinc/41/16/52/1203411652.db2.gz RKOCMHDKPFPDKF-MRXNPFEDSA-N 0 3 302.462 3.319 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)CCc2cccs2)C1 ZINC001715960181 1203411764 /nfs/dbraw/zinc/41/17/64/1203411764.db2.gz QCGXODKNXWURIW-UHFFFAOYSA-N 0 3 306.475 3.037 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001715972227 1203413867 /nfs/dbraw/zinc/41/38/67/1203413867.db2.gz HGIONZDHBXPWRC-GJZGRUSLSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001715978698 1203415036 /nfs/dbraw/zinc/41/50/36/1203415036.db2.gz LNKOYHNNICOPRY-SJCJKPOMSA-N 0 3 322.399 3.403 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001716024109 1203426806 /nfs/dbraw/zinc/42/68/06/1203426806.db2.gz CBFHMLKBCNPOTI-ZIAGYGMSSA-N 0 3 322.399 3.266 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001716029671 1203428351 /nfs/dbraw/zinc/42/83/51/1203428351.db2.gz QYNMTMXKCJRJPB-OAHLLOKOSA-N 0 3 312.413 3.173 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)CCOc1ccccc1C ZINC001716036009 1203430302 /nfs/dbraw/zinc/43/03/02/1203430302.db2.gz VSSZGMXPCABBES-MRXNPFEDSA-N 0 3 318.461 3.023 20 30 DGEDHN CC#CCCCC(=O)N(CC)CCNCc1ccc(F)c(F)c1 ZINC001716234607 1203452325 /nfs/dbraw/zinc/45/23/25/1203452325.db2.gz HYXMRRMJOSALQC-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001716396878 1203466588 /nfs/dbraw/zinc/46/65/88/1203466588.db2.gz GSTQUFLIACMRCF-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1ccc(Cl)cc1OC ZINC001716438655 1203474113 /nfs/dbraw/zinc/47/41/13/1203474113.db2.gz HAOIWXMRWBHONR-ZDUSSCGKSA-N 0 3 324.852 3.299 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccccn2)CCCCC1 ZINC001716464922 1203478976 /nfs/dbraw/zinc/47/89/76/1203478976.db2.gz GKKDNHXZFJDNII-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@]1(C)CCC[C@@H]1CC ZINC001716549027 1203501201 /nfs/dbraw/zinc/50/12/01/1203501201.db2.gz MDUWYZKCDSYAFF-GOEBONIOSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@]1(C)CCC[C@H]1CC ZINC001716549026 1203501407 /nfs/dbraw/zinc/50/14/07/1203501407.db2.gz MDUWYZKCDSYAFF-GDBMZVCRSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001716656122 1203515059 /nfs/dbraw/zinc/51/50/59/1203515059.db2.gz LIJNTRJYBRFJQT-JXCVUKRWSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001716664819 1203518451 /nfs/dbraw/zinc/51/84/51/1203518451.db2.gz ZPEUOSQTPIYSLT-KBPBESRZSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001716664822 1203518600 /nfs/dbraw/zinc/51/86/00/1203518600.db2.gz ZPEUOSQTPIYSLT-ZIAGYGMSSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001716664793 1203518939 /nfs/dbraw/zinc/51/89/39/1203518939.db2.gz ZDSTVXPZUWUGTA-MSOLQXFVSA-N 0 3 300.446 3.022 20 30 DGEDHN CCCCCC(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001716675188 1203522907 /nfs/dbraw/zinc/52/29/07/1203522907.db2.gz AVAUVVHVDYJMDG-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C3(CC=C)CCCC3)C2)CC1 ZINC001716727579 1203533172 /nfs/dbraw/zinc/53/31/72/1203533172.db2.gz FLJNNOPZIJRHKV-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2nccs2)C[C@H]1C ZINC001716762222 1203539636 /nfs/dbraw/zinc/53/96/36/1203539636.db2.gz VUBSFGJZQKYEEU-ZIAGYGMSSA-N 0 3 321.490 3.215 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(C)CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001716793958 1203543760 /nfs/dbraw/zinc/54/37/60/1203543760.db2.gz CVVISELCMSEHQA-KGLIPLIRSA-N 0 3 317.408 3.017 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H]1CC)C1CCN(CC(=C)C)CC1 ZINC001716809177 1203545414 /nfs/dbraw/zinc/54/54/14/1203545414.db2.gz SBGMMNQXWPLKEX-PKOBYXMFSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1c(C)noc1C)C1CCCC1 ZINC001716815426 1203547044 /nfs/dbraw/zinc/54/70/44/1203547044.db2.gz UKXDBELTUMIIPP-KRWDZBQOSA-N 0 3 319.449 3.022 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)CC(C)C)C2 ZINC001716830099 1203549470 /nfs/dbraw/zinc/54/94/70/1203549470.db2.gz JGZFEDOSXNVVRI-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001716846177 1203554050 /nfs/dbraw/zinc/55/40/50/1203554050.db2.gz KRLPJFLSARXOOP-FQEVSTJZSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001716852694 1203556350 /nfs/dbraw/zinc/55/63/50/1203556350.db2.gz LJVLYDMHOGPCNS-FZKQIMNGSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2sc(C)cc2OC)C1 ZINC001716900792 1203566070 /nfs/dbraw/zinc/56/60/70/1203566070.db2.gz UXIZAJXLONRWKG-QGZVFWFLSA-N 0 3 322.474 3.083 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001716902176 1203566660 /nfs/dbraw/zinc/56/66/60/1203566660.db2.gz YOUUAAZFULVQIN-NSHGMRRFSA-N 0 3 312.457 3.194 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)CC)c1ccccc1CC ZINC001716954521 1203569459 /nfs/dbraw/zinc/56/94/59/1203569459.db2.gz XSRDUOQTWZQBJA-YJBOKZPZSA-N 0 3 300.446 3.065 20 30 DGEDHN CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001716996874 1203574669 /nfs/dbraw/zinc/57/46/69/1203574669.db2.gz FURMFBRNUYKYLJ-ACDBMABISA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](CC)CCCC ZINC001717034922 1203579727 /nfs/dbraw/zinc/57/97/27/1203579727.db2.gz DAGMXCUWASRWID-RCCFBDPRSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCc1ccccc1 ZINC001717035968 1203579982 /nfs/dbraw/zinc/57/99/82/1203579982.db2.gz OZFCRRQDQMFKTA-WOJBJXKFSA-N 0 3 324.468 3.098 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC2(F)F)cc1 ZINC001717114393 1203586504 /nfs/dbraw/zinc/58/65/04/1203586504.db2.gz DJVLTBSKXJDZQM-BBRMVZONSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc(C)c(C)cc2Cl)CCC1 ZINC001717154946 1203592340 /nfs/dbraw/zinc/59/23/40/1203592340.db2.gz SMOGDGRBAZPANT-UHFFFAOYSA-N 0 3 318.848 3.222 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CC(C)(C)CC(F)F)CC1 ZINC001717198052 1203597531 /nfs/dbraw/zinc/59/75/31/1203597531.db2.gz KQCQNVGWMOCDSO-CQSZACIVSA-N 0 3 314.420 3.052 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C1(C)CCC(F)(F)CC1 ZINC001717208823 1203601739 /nfs/dbraw/zinc/60/17/39/1203601739.db2.gz LBXFRVFIMOLHHJ-UHFFFAOYSA-N 0 3 314.420 3.006 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001717212779 1203603662 /nfs/dbraw/zinc/60/36/62/1203603662.db2.gz NAKPQEXVHZQXAN-UHFFFAOYSA-N 0 3 308.388 3.321 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001717247556 1203610215 /nfs/dbraw/zinc/61/02/15/1203610215.db2.gz KAOKYWDCTVSBKI-WMZOPIPTSA-N 0 3 310.457 3.405 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)CC(C)C)C2 ZINC001717248351 1203610218 /nfs/dbraw/zinc/61/02/18/1203610218.db2.gz XVLNUNMSUIICAG-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)COC(C)C)cc2C1 ZINC001717269780 1203611284 /nfs/dbraw/zinc/61/12/84/1203611284.db2.gz ZLVDOZMUNWZDPH-UHFFFAOYSA-N 0 3 316.445 3.010 20 30 DGEDHN C#Cc1ccccc1CC(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001717374003 1203629337 /nfs/dbraw/zinc/62/93/37/1203629337.db2.gz LSVUMGVYJGNKNF-HXUWFJFHSA-N 0 3 324.468 3.099 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)/C=C/c1ccco1 ZINC001717449168 1203646832 /nfs/dbraw/zinc/64/68/32/1203646832.db2.gz NIBQQZDKMHZSLR-BQYQJAHWSA-N 0 3 310.825 3.120 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1cccc(C)c1 ZINC001717467349 1203653115 /nfs/dbraw/zinc/65/31/15/1203653115.db2.gz AUELUXAYMFYBSO-KRWDZBQOSA-N 0 3 300.446 3.125 20 30 DGEDHN C=CCOCC(=O)NC[C@H](C)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001717467101 1203653264 /nfs/dbraw/zinc/65/32/64/1203653264.db2.gz UYZVJAXPJOJGQF-KBPBESRZSA-N 0 3 324.852 3.040 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CC/C=C\c1ccccc1 ZINC001717538458 1203676452 /nfs/dbraw/zinc/67/64/52/1203676452.db2.gz JOVJAAZNYVLPDO-LOJRPPCJSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001717540778 1203677641 /nfs/dbraw/zinc/67/76/41/1203677641.db2.gz SESIMXVTRQUFPC-JKSUJKDBSA-N 0 3 304.434 3.005 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001717540345 1203677745 /nfs/dbraw/zinc/67/77/45/1203677745.db2.gz NXHDOXPQPWALAG-IBGZPJMESA-N 0 3 324.468 3.102 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001717557603 1203681289 /nfs/dbraw/zinc/68/12/89/1203681289.db2.gz WZJKDNSAHDTFJQ-CABCVRRESA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575536 1203683268 /nfs/dbraw/zinc/68/32/68/1203683268.db2.gz GJTIADOJWMHOKS-WMLDXEAASA-N 0 3 316.445 3.187 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001717575536 1203683269 /nfs/dbraw/zinc/68/32/69/1203683269.db2.gz GJTIADOJWMHOKS-WMLDXEAASA-N 0 3 316.445 3.187 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)c2ccccc2)CC1(C)C ZINC001717580676 1203684838 /nfs/dbraw/zinc/68/48/38/1203684838.db2.gz YKFVXSSAWRJRJY-SJLPKXTDSA-N 0 3 312.457 3.234 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3(CC)CC3)C[C@H]2C1 ZINC001717623869 1203690591 /nfs/dbraw/zinc/69/05/91/1203690591.db2.gz OALKWVCTBCDYIH-KKUMJFAQSA-N 0 3 310.869 3.146 20 30 DGEDHN CCCCC(=O)N(C)[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001717725782 1203705265 /nfs/dbraw/zinc/70/52/65/1203705265.db2.gz KYXXLCBLSSBSHK-MRXNPFEDSA-N 0 3 319.474 3.137 20 30 DGEDHN CCC1(C(=O)N(C)C[C@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001717737749 1203707202 /nfs/dbraw/zinc/70/72/02/1203707202.db2.gz IDSGBXBDKHDSFX-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC001717744641 1203708414 /nfs/dbraw/zinc/70/84/14/1203708414.db2.gz GDANGFOZPJCXAG-DLBZAZTESA-N 0 3 300.446 3.030 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001717813611 1203715278 /nfs/dbraw/zinc/71/52/78/1203715278.db2.gz ULQLQBOJPRLAQI-MJGOQNOKSA-N 0 3 324.468 3.219 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001717825466 1203716805 /nfs/dbraw/zinc/71/68/05/1203716805.db2.gz GNEYCLVGTHDCCD-DNVCBOLYSA-N 0 3 322.408 3.163 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001717830231 1203717390 /nfs/dbraw/zinc/71/73/90/1203717390.db2.gz PKSUNNOOKQNYIA-UONOGXRCSA-N 0 3 318.486 3.262 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sccc2F)[C@@H]1C ZINC001717850975 1203721797 /nfs/dbraw/zinc/72/17/97/1203721797.db2.gz ASJDPUGEMRCOEQ-GXTWGEPZSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cccc(Cl)c2)[C@H]1C ZINC001717855644 1203722565 /nfs/dbraw/zinc/72/25/65/1203722565.db2.gz IWDMGWSMVBJMII-RHSMWYFYSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(CC)cc2)[C@H]1C ZINC001717860374 1203723819 /nfs/dbraw/zinc/72/38/19/1203723819.db2.gz KPHJOZOQIXBOCP-VQIMIIECSA-N 0 3 314.473 3.337 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2cnccc2C)C(C)(C)C1 ZINC001717899254 1203729861 /nfs/dbraw/zinc/72/98/61/1203729861.db2.gz NCCAVZGKHJMCSY-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(C)C ZINC001717952282 1203734113 /nfs/dbraw/zinc/73/41/13/1203734113.db2.gz GJEQFZNKUUKPRJ-ZWKOTPCHSA-N 0 3 318.436 3.284 20 30 DGEDHN C=CCCC[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001717955839 1203735404 /nfs/dbraw/zinc/73/54/04/1203735404.db2.gz YBMUXBKZFYCXEP-MRXNPFEDSA-N 0 3 304.434 3.093 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001717981022 1203739755 /nfs/dbraw/zinc/73/97/55/1203739755.db2.gz VCZURPKOALHALV-AEFFLSMTSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001717983539 1203740037 /nfs/dbraw/zinc/74/00/37/1203740037.db2.gz IWVXCHLEGZNWIV-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H](C)C1CCN(CC#CC)CC1)c1ccccc1 ZINC001717985847 1203740810 /nfs/dbraw/zinc/74/08/10/1203740810.db2.gz XCQZMBXYXZVJEL-FXAWDEMLSA-N 0 3 324.468 3.196 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)[C@@H](C)CC)CC2)CC1 ZINC001718004628 1203742755 /nfs/dbraw/zinc/74/27/55/1203742755.db2.gz YZPATICKYACIPL-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(C)CCc3ccccc3C2)CC1 ZINC001718035690 1203745174 /nfs/dbraw/zinc/74/51/74/1203745174.db2.gz LPWLIONBNLUFDN-NRFANRHFSA-N 0 3 324.468 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1ccc(F)cc1F ZINC001723470402 1203976396 /nfs/dbraw/zinc/97/63/96/1203976396.db2.gz NFDMJVIRGCIGTE-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001723474204 1203977262 /nfs/dbraw/zinc/97/72/62/1203977262.db2.gz UUHHWZAJXCRBOO-YOEHRIQHSA-N 0 3 313.445 3.118 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001723625828 1203985671 /nfs/dbraw/zinc/98/56/71/1203985671.db2.gz GKAYCKDWIJRTAI-KSZLIROESA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001723720799 1203990576 /nfs/dbraw/zinc/99/05/76/1203990576.db2.gz FDPPAPZXSWXLDM-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001723766159 1203992288 /nfs/dbraw/zinc/99/22/88/1203992288.db2.gz RFKSPCBNKCGMCH-OAGGEKHMSA-N 0 3 304.478 3.168 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CC(C)(C)CC(F)F)CC1 ZINC001724013444 1204001741 /nfs/dbraw/zinc/00/17/41/1204001741.db2.gz OMRZWGYVSKDADB-UHFFFAOYSA-N 0 3 314.420 3.052 20 30 DGEDHN C#CCN(C(=O)CCC(=C)C)C1CCN(CC=C(C)C)CC1 ZINC001724046394 1204002627 /nfs/dbraw/zinc/00/26/27/1204002627.db2.gz BSVXXSHTTCIMNY-UHFFFAOYSA-N 0 3 302.462 3.235 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC(C)=C(C)C)C2 ZINC001724125454 1204006051 /nfs/dbraw/zinc/00/60/51/1204006051.db2.gz GNLLTDQWJFESSU-HXUWFJFHSA-N 0 3 316.489 3.461 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001724174072 1204011119 /nfs/dbraw/zinc/01/11/19/1204011119.db2.gz NWQVZRLMVRVPAV-QFBILLFUSA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001724190592 1204013361 /nfs/dbraw/zinc/01/33/61/1204013361.db2.gz PLQYINASCMVLGR-FQEVSTJZSA-N 0 3 308.425 3.149 20 30 DGEDHN CC#CCCCC(=O)NCC1(C)CCN(C[C@@H](F)CC)CC1 ZINC001724295361 1204018679 /nfs/dbraw/zinc/01/86/79/1204018679.db2.gz RQMIJJDGKFCMCS-INIZCTEOSA-N 0 3 310.457 3.146 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2sccc2C(C)C)CC1 ZINC001724307248 1204019574 /nfs/dbraw/zinc/01/95/74/1204019574.db2.gz WRSFKZJDFSROTB-UHFFFAOYSA-N 0 3 318.486 3.337 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001724329120 1204021891 /nfs/dbraw/zinc/02/18/91/1204021891.db2.gz ROKFLOONUSVLJO-HXUWFJFHSA-N 0 3 323.440 3.023 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2sc(CC)nc2C)C1 ZINC001724339479 1204022964 /nfs/dbraw/zinc/02/29/64/1204022964.db2.gz CEEVDQLWXUTXEI-KRWDZBQOSA-N 0 3 321.490 3.032 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001724341492 1204023014 /nfs/dbraw/zinc/02/30/14/1204023014.db2.gz UKFXOWPYZBFHLD-LJQANCHMSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001724343783 1204023785 /nfs/dbraw/zinc/02/37/85/1204023785.db2.gz SUGVXGYODHNTHO-MRXNPFEDSA-N 0 3 312.360 3.235 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC(C)(F)F)c1ccccc1CC ZINC001724511979 1204026668 /nfs/dbraw/zinc/02/66/68/1204026668.db2.gz PNDKRERKTVSYQR-MRXNPFEDSA-N 0 3 322.399 3.065 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@]12C[C@H]1CCC2)c1ccccc1CC ZINC001724512118 1204026856 /nfs/dbraw/zinc/02/68/56/1204026856.db2.gz QAQGPFFWDUJXAI-YFVAEKQCSA-N 0 3 324.468 3.209 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1 ZINC001724646862 1204035768 /nfs/dbraw/zinc/03/57/68/1204035768.db2.gz KIOGBDBHAQOJTI-OALUTQOASA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001724721535 1204039774 /nfs/dbraw/zinc/03/97/74/1204039774.db2.gz CIIKQMDLBXLZKP-CABCVRRESA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001724729651 1204040380 /nfs/dbraw/zinc/04/03/80/1204040380.db2.gz QBKZIHBASCYJTG-DZGCQCFKSA-N 0 3 324.852 3.039 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001724729654 1204040716 /nfs/dbraw/zinc/04/07/16/1204040716.db2.gz QBKZIHBASCYJTG-ZFWWWQNUSA-N 0 3 324.852 3.039 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cc(F)c[nH]1 ZINC001724738634 1204041330 /nfs/dbraw/zinc/04/13/30/1204041330.db2.gz QEYLZGFVCYSRCN-UHFFFAOYSA-N 0 3 315.392 3.092 20 30 DGEDHN C#CCCCCC(=O)NCc1ccc([C@@H](C)NCC#CC)cc1 ZINC001724746842 1204042926 /nfs/dbraw/zinc/04/29/26/1204042926.db2.gz VRMJTWPTEMSNBR-QGZVFWFLSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC001724752360 1204043507 /nfs/dbraw/zinc/04/35/07/1204043507.db2.gz VVWCCAGVGUGLAZ-OAHLLOKOSA-N 0 3 324.827 3.350 20 30 DGEDHN CC#CCNC1(CNC(=O)CC(C)(C)CC(F)(F)F)CCC1 ZINC001724803820 1204049463 /nfs/dbraw/zinc/04/94/63/1204049463.db2.gz XTDRNROLEROHCM-UHFFFAOYSA-N 0 3 318.383 3.007 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C#CC(C)C ZINC001725015439 1204080006 /nfs/dbraw/zinc/08/00/06/1204080006.db2.gz ZZHMOWQDVJRXNL-FQEVSTJZSA-N 0 3 324.468 3.328 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)Cc1ccccc1 ZINC001725045356 1204084789 /nfs/dbraw/zinc/08/47/89/1204084789.db2.gz FYDVHWJVUINSEU-RBUKOAKNSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCC[C@H]1CN(C)CC=C)c1ccccc1 ZINC001725056399 1204087072 /nfs/dbraw/zinc/08/70/72/1204087072.db2.gz BIPNRXZJKXNGBQ-RBUKOAKNSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001725063834 1204088266 /nfs/dbraw/zinc/08/82/66/1204088266.db2.gz FAJWOFHDGNVKRW-UHFFFAOYSA-N 0 3 321.852 3.056 20 30 DGEDHN Cc1cc(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)c(C)o1 ZINC001725083653 1204091214 /nfs/dbraw/zinc/09/12/14/1204091214.db2.gz VJEBJVZGAKELIW-JKSUJKDBSA-N 0 3 324.424 3.045 20 30 DGEDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)oc1C ZINC001725085369 1204091551 /nfs/dbraw/zinc/09/15/51/1204091551.db2.gz HYXOEVWBUDBTNS-CVEARBPZSA-N 0 3 324.424 3.045 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1(C)CCCC1 ZINC001725103475 1204095247 /nfs/dbraw/zinc/09/52/47/1204095247.db2.gz MVNHSCSQHHPWDA-STQMWFEESA-N 0 3 319.474 3.183 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ncccc2C)CCC1 ZINC001725106584 1204095998 /nfs/dbraw/zinc/09/59/98/1204095998.db2.gz JIBXNAXQPOYMNO-HZPDHXFCSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NCc2ncccc2C)CC1 ZINC001725107272 1204096083 /nfs/dbraw/zinc/09/60/83/1204096083.db2.gz LFDWRZZMPXUAIO-HZPDHXFCSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2ncccc2C)CC1 ZINC001725107270 1204096330 /nfs/dbraw/zinc/09/63/30/1204096330.db2.gz LFDWRZZMPXUAIO-HOTGVXAUSA-N 0 3 315.461 3.119 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1CC ZINC001725171235 1204109517 /nfs/dbraw/zinc/10/95/17/1204109517.db2.gz IBQVRARFKGMMJS-QGZVFWFLSA-N 0 3 314.473 3.379 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001725173220 1204110250 /nfs/dbraw/zinc/11/02/50/1204110250.db2.gz AUSAIQTYNALRQC-CVEARBPZSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001725186980 1204114909 /nfs/dbraw/zinc/11/49/09/1204114909.db2.gz JUOFFBKBSDVNBN-KBPBESRZSA-N 0 3 300.402 3.159 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001725248363 1204127712 /nfs/dbraw/zinc/12/77/12/1204127712.db2.gz FYBQDCSTOMQWTQ-KRWDZBQOSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001725256236 1204128583 /nfs/dbraw/zinc/12/85/83/1204128583.db2.gz DAZLHTLNWOHMRL-GFCCVEGCSA-N 0 3 324.827 3.034 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001725588764 1204173745 /nfs/dbraw/zinc/17/37/45/1204173745.db2.gz GZSJDBBGTYXOIE-AZUAARDMSA-N 0 3 323.440 3.138 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001725597375 1204175589 /nfs/dbraw/zinc/17/55/89/1204175589.db2.gz IDXOHYPKSYNCTM-HIFRSBDPSA-N 0 3 316.445 3.101 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC001725618014 1204181322 /nfs/dbraw/zinc/18/13/22/1204181322.db2.gz FKMMISYIQFWRCH-QWHCGFSZSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001725618009 1204181599 /nfs/dbraw/zinc/18/15/99/1204181599.db2.gz FKMMISYIQFWRCH-CHWSQXEVSA-N 0 3 310.438 3.436 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(C)c1F)C(C)C ZINC001725727635 1204202447 /nfs/dbraw/zinc/20/24/47/1204202447.db2.gz IREUCMBJSJMJSK-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C=C[C@@H](C(=O)N[C@H](C)C1CCN(CC#CC)CC1)c1ccccc1 ZINC001725764585 1204216568 /nfs/dbraw/zinc/21/65/68/1204216568.db2.gz XCQZMBXYXZVJEL-YLJYHZDGSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)c2ccc(F)cc2F)CC1 ZINC001725828715 1204228248 /nfs/dbraw/zinc/22/82/48/1204228248.db2.gz HEVAAPIBBOZTEG-CYBMUJFWSA-N 0 3 320.383 3.003 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H]2CCc3ccccc3C2)CC1 ZINC001725832145 1204229473 /nfs/dbraw/zinc/22/94/73/1204229473.db2.gz DNMHUQITOPYSKB-GOSISDBHSA-N 0 3 324.468 3.116 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H]1CCCCN1C(=O)CC1CC1 ZINC001731288296 1204362988 /nfs/dbraw/zinc/36/29/88/1204362988.db2.gz CWFCFQUASMNPMZ-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CSC(C)C ZINC001731288512 1204363455 /nfs/dbraw/zinc/36/34/55/1204363455.db2.gz PEARRHVOBDPVGE-KBPBESRZSA-N 0 3 318.914 3.240 20 30 DGEDHN CCC[C@@H](C)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001731305376 1204368476 /nfs/dbraw/zinc/36/84/76/1204368476.db2.gz SPGCUPZSBUZBNW-GOSISDBHSA-N 0 3 314.473 3.303 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cccc(C)c2)C1 ZINC001731354234 1204383740 /nfs/dbraw/zinc/38/37/40/1204383740.db2.gz YHYMNQBLKMDAGF-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccnc(F)c2)CC1 ZINC001731385024 1204390883 /nfs/dbraw/zinc/39/08/83/1204390883.db2.gz RTYIFXIEASKJAC-UHFFFAOYSA-N 0 3 319.424 3.113 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC001731413295 1204403609 /nfs/dbraw/zinc/40/36/09/1204403609.db2.gz HREJAAHKTQLENE-SFHVURJKSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001731424585 1204409083 /nfs/dbraw/zinc/40/90/83/1204409083.db2.gz JVIAWWZGAFOFKL-XWTMOSNGSA-N 0 3 315.461 3.079 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(F)(F)F ZINC001731426762 1204410066 /nfs/dbraw/zinc/41/00/66/1204410066.db2.gz ZAAHYFKVUKUEKC-OKILXGFUSA-N 0 3 318.383 3.360 20 30 DGEDHN C[C@H](C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1CCCC1 ZINC001731456642 1204418901 /nfs/dbraw/zinc/41/89/01/1204418901.db2.gz PRTDPYOYASHSFW-VDGAXYAQSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001731460443 1204420135 /nfs/dbraw/zinc/42/01/35/1204420135.db2.gz CXYVJVQYXUCVSF-HFBAOOFYSA-N 0 3 324.827 3.309 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001731507851 1204438158 /nfs/dbraw/zinc/43/81/58/1204438158.db2.gz WNCDPUMTXOYVHK-IEBWSBKVSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1CCOC1CCC1 ZINC001731540398 1204450575 /nfs/dbraw/zinc/45/05/75/1204450575.db2.gz GLCPPGDZMRZLPY-QFBILLFUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#CC ZINC001731549787 1204456845 /nfs/dbraw/zinc/45/68/45/1204456845.db2.gz BSBWUOYIXJMBOD-MSOLQXFVSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001731565089 1204463938 /nfs/dbraw/zinc/46/39/38/1204463938.db2.gz ZMIMRZMILJIKDY-BHNDVYRESA-N 0 3 312.457 3.049 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001731714117 1204518172 /nfs/dbraw/zinc/51/81/72/1204518172.db2.gz YJCLTQLNWBXDGU-QZTJIDSGSA-N 0 3 304.478 3.315 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC2(c3ccccc3)CC2)C1 ZINC001731716885 1204518924 /nfs/dbraw/zinc/51/89/24/1204518924.db2.gz XCRWVUBPBLKMME-IBGZPJMESA-N 0 3 324.468 3.054 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2CCC(C3CC3)CC2)C1 ZINC001731719781 1204521225 /nfs/dbraw/zinc/52/12/25/1204521225.db2.gz JOXYCWQCKLQGIP-ACBHZAAOSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc(Cl)c1 ZINC001731739405 1204530881 /nfs/dbraw/zinc/53/08/81/1204530881.db2.gz JIGMCZUKLLPTCO-LLVKDONJSA-N 0 3 301.217 3.191 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccc(C)nc1 ZINC001731741611 1204531232 /nfs/dbraw/zinc/53/12/32/1204531232.db2.gz FNHMKXFOSQNMTB-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCC(=O)NCCC[C@@H]1CCCN1Cc1cc(C)ns1 ZINC001731744310 1204533147 /nfs/dbraw/zinc/53/31/47/1204533147.db2.gz HJNXLCFPAXWRBI-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001731768324 1204545752 /nfs/dbraw/zinc/54/57/52/1204545752.db2.gz GNCFAIIHHWIVFR-CQSZACIVSA-N 0 3 306.837 3.253 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)CCCc1ccccc1 ZINC001731840717 1204597589 /nfs/dbraw/zinc/59/75/89/1204597589.db2.gz GTIODJSELMMQGM-IEBWSBKVSA-N 0 3 314.473 3.412 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1csc2ccccc12 ZINC001731866337 1204609871 /nfs/dbraw/zinc/60/98/71/1204609871.db2.gz MLODKKCWHZKBGL-UHFFFAOYSA-N 0 3 314.454 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C)c2cccnc12 ZINC001731866218 1204609989 /nfs/dbraw/zinc/60/99/89/1204609989.db2.gz FVACFRYXHHEFRH-UHFFFAOYSA-N 0 3 323.440 3.008 20 30 DGEDHN C=CCN(CCNC(=O)c1oc2c(cccc2C)c1C)C1CC1 ZINC001731884324 1204623797 /nfs/dbraw/zinc/62/37/97/1204623797.db2.gz UPOAMDUGUPBNDT-UHFFFAOYSA-N 0 3 312.413 3.430 20 30 DGEDHN C=CCN(CCNC(=O)c1sccc1C(F)F)C1CC1 ZINC001731885310 1204624416 /nfs/dbraw/zinc/62/44/16/1204624416.db2.gz ZBCDUZUREZJHCR-UHFFFAOYSA-N 0 3 300.374 3.066 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001732040375 1204661467 /nfs/dbraw/zinc/66/14/67/1204661467.db2.gz DCNCSRNXGUSBRO-ZCNNSNEGSA-N 0 3 324.468 3.126 20 30 DGEDHN C/C=C(/C)C(=O)N1CCC(CN(C)CC#Cc2ccccc2)CC1 ZINC001732080815 1204684075 /nfs/dbraw/zinc/68/40/75/1204684075.db2.gz FGXFDJXKUDNFRH-LMXLVEHLSA-N 0 3 324.468 3.175 20 30 DGEDHN C/C=C(\C)C(=O)N1CCC(CN(C)CC#Cc2ccccc2)CC1 ZINC001732080814 1204684625 /nfs/dbraw/zinc/68/46/25/1204684625.db2.gz FGXFDJXKUDNFRH-JJPRUIFNSA-N 0 3 324.468 3.175 20 30 DGEDHN C=C[C@@H](CC(=O)NCC1CN(CC[C@@H](C)F)C1)c1ccccc1 ZINC001732139230 1204710218 /nfs/dbraw/zinc/71/02/18/1204710218.db2.gz WRRDHCUXPYXOJI-WBVHZDCISA-N 0 3 318.436 3.142 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(F)F ZINC001732147054 1204712672 /nfs/dbraw/zinc/71/26/72/1204712672.db2.gz IHQQITNOJDYFBF-KBPBESRZSA-N 0 3 302.409 3.287 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC(F)(F)CC1 ZINC001732146356 1204713493 /nfs/dbraw/zinc/71/34/93/1204713493.db2.gz WJEOSJKGWDNJEQ-GJZGRUSLSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1Cl ZINC001732149846 1204714339 /nfs/dbraw/zinc/71/43/39/1204714339.db2.gz KHDAYIOGTBRTED-HOTGVXAUSA-N 0 3 318.848 3.134 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001732168066 1204723372 /nfs/dbraw/zinc/72/33/72/1204723372.db2.gz HVQXHAMBAGFBKX-SJORKVTESA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1cccc(Cl)n1 ZINC001732206385 1204749014 /nfs/dbraw/zinc/74/90/14/1204749014.db2.gz TWKFRODPVWZPOH-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(CF)cc1)C1CC1 ZINC001732251777 1204770324 /nfs/dbraw/zinc/77/03/24/1204770324.db2.gz BMFDAOIIWHGVNT-QGZVFWFLSA-N 0 3 324.827 3.397 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2CC)cc1 ZINC001732316642 1204788807 /nfs/dbraw/zinc/78/88/07/1204788807.db2.gz AABVXAHUSZAPTH-RTBURBONSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl ZINC001732353277 1204801957 /nfs/dbraw/zinc/80/19/57/1204801957.db2.gz FRSSXTDGBAHMTO-DREKTBMASA-N 0 3 307.265 3.250 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001732434042 1204838470 /nfs/dbraw/zinc/83/84/70/1204838470.db2.gz ARZPNFSHKBDZGU-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H](C)c1ccncc1)C(C)C ZINC001732556188 1204894464 /nfs/dbraw/zinc/89/44/64/1204894464.db2.gz GHQWMSZOMLXYIG-CZUORRHYSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2cc(C)ns2)C(C)C)C1 ZINC001732567665 1204900190 /nfs/dbraw/zinc/90/01/90/1204900190.db2.gz SSAFBWYSEPGCEA-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](NCc2cncs2)C(C)C)CCC1 ZINC001732568568 1204900567 /nfs/dbraw/zinc/90/05/67/1204900567.db2.gz YNLDUNFQKQPJJP-OAHLLOKOSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)cc(F)c1)C(C)C ZINC001732570131 1204900885 /nfs/dbraw/zinc/90/08/85/1204900885.db2.gz RONXWMLDANSKNE-HNNXBMFYSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C)cc1C)C(C)C ZINC001732572444 1204901642 /nfs/dbraw/zinc/90/16/42/1204901642.db2.gz RGYYAPKNNHUFPD-MRXNPFEDSA-N 0 3 308.853 3.400 20 30 DGEDHN CCCCC(=O)N1CC[C@@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001732600738 1204919107 /nfs/dbraw/zinc/91/91/07/1204919107.db2.gz SOGKKKOLPHIMSN-WOJBJXKFSA-N 0 3 324.468 3.151 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)c(OC)c(C)c1 ZINC001732695115 1204930453 /nfs/dbraw/zinc/93/04/53/1204930453.db2.gz QUDJZKFPUKFMSM-CQSZACIVSA-N 0 3 324.852 3.163 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1csc(C)c1C ZINC001732698941 1204931181 /nfs/dbraw/zinc/93/11/81/1204931181.db2.gz ROUPUOPMZPJPPB-SNVBAGLBSA-N 0 3 300.855 3.215 20 30 DGEDHN CCC(C)(C)CC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001732855231 1204951859 /nfs/dbraw/zinc/95/18/59/1204951859.db2.gz IKGQJFBUYCVFOK-AATRIKPKSA-N 0 3 313.445 3.147 20 30 DGEDHN C[C@H](NC/C=C\CNC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC001732850536 1204951917 /nfs/dbraw/zinc/95/19/17/1204951917.db2.gz WIXQHFSVUFOLTA-YVACAVLKSA-N 0 3 316.420 3.198 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001732955913 1204965202 /nfs/dbraw/zinc/96/52/02/1204965202.db2.gz HYQZASQNMDWRRS-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCOCC(=O)N[C@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001733031150 1204988295 /nfs/dbraw/zinc/98/82/95/1204988295.db2.gz SWUSJFSNCYINBJ-KGLIPLIRSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)CCc1ccccc1F ZINC001733051739 1205002991 /nfs/dbraw/zinc/00/29/91/1205002991.db2.gz IDGBVEPOXKTMQN-GJZGRUSLSA-N 0 3 306.425 3.017 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CC1CCCC1 ZINC001733056125 1205008548 /nfs/dbraw/zinc/00/85/48/1205008548.db2.gz GIGVTAJUFMKIBI-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001733067648 1205016435 /nfs/dbraw/zinc/01/64/35/1205016435.db2.gz MNGNGLPNCGSNHG-LSDHHAIUSA-N 0 3 306.425 3.017 20 30 DGEDHN C#CCCCC(=O)N(C)CCCNCc1ccc(F)cc1Cl ZINC001733094906 1205023206 /nfs/dbraw/zinc/02/32/06/1205023206.db2.gz BCWHCIYXCOFVFT-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(CC(C)C)c[nH]1 ZINC001733142981 1205029235 /nfs/dbraw/zinc/02/92/35/1205029235.db2.gz MTBDOHKBOGRKPV-UHFFFAOYSA-N 0 3 311.857 3.017 20 30 DGEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CC1)C1CCCCC1 ZINC001733164059 1205030725 /nfs/dbraw/zinc/03/07/25/1205030725.db2.gz RDCSGGJLKJQUEO-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001733170251 1205032711 /nfs/dbraw/zinc/03/27/11/1205032711.db2.gz FGJLJCPVWOZOKS-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN CCC1(C(=O)N[C@@H](CNCC#Cc2ccccc2)C2CC2)CCC1 ZINC001733181267 1205035376 /nfs/dbraw/zinc/03/53/76/1205035376.db2.gz XNLCRJIUWMFCPI-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001733208087 1205044337 /nfs/dbraw/zinc/04/43/37/1205044337.db2.gz TYSUVTWQQNKBFS-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001733214321 1205048293 /nfs/dbraw/zinc/04/82/93/1205048293.db2.gz RBZCVPHJQYSXDE-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001733216325 1205048642 /nfs/dbraw/zinc/04/86/42/1205048642.db2.gz UZPNCRSTXJSYBO-LJQANCHMSA-N 0 3 314.473 3.194 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001733218963 1205048833 /nfs/dbraw/zinc/04/88/33/1205048833.db2.gz IOBSISYQBMJMHN-UYAOXDASSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001733225920 1205054807 /nfs/dbraw/zinc/05/48/07/1205054807.db2.gz KKTLPCFSPLUDKL-GGPKGHCWSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cccc(Cl)c1F ZINC001733226612 1205055851 /nfs/dbraw/zinc/05/58/51/1205055851.db2.gz GWCUUNUYMWDHIQ-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001733227341 1205056260 /nfs/dbraw/zinc/05/62/60/1205056260.db2.gz XLUWUGHNUHCGEQ-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001733227338 1205056605 /nfs/dbraw/zinc/05/66/05/1205056605.db2.gz XLUWUGHNUHCGEQ-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc2ccccc2c1 ZINC001733233494 1205060918 /nfs/dbraw/zinc/06/09/18/1205060918.db2.gz WVTSWPYEDWPWBT-LJQANCHMSA-N 0 3 308.425 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001733236920 1205062874 /nfs/dbraw/zinc/06/28/74/1205062874.db2.gz LKCDAIZJQCCGKL-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001733253193 1205069720 /nfs/dbraw/zinc/06/97/20/1205069720.db2.gz SVSBCIMULGLCHQ-MRXNPFEDSA-N 0 3 316.420 3.264 20 30 DGEDHN C#CCCCCC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001733286996 1205082762 /nfs/dbraw/zinc/08/27/62/1205082762.db2.gz WLVLOWGLQJVDOS-WDZFZDKYSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001733295537 1205085985 /nfs/dbraw/zinc/08/59/85/1205085985.db2.gz MTRUYYLOEKKBSI-PKOBYXMFSA-N 0 3 322.468 3.427 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001733337446 1205099637 /nfs/dbraw/zinc/09/96/37/1205099637.db2.gz WAVPZUGZQNTOES-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCCc2ccccc2)CC1 ZINC001733360466 1205105986 /nfs/dbraw/zinc/10/59/86/1205105986.db2.gz UPZWXXTZYUTCRY-UHFFFAOYSA-N 0 3 300.446 3.166 20 30 DGEDHN C#CCNC[C@H](NC(=O)C(C)(C)C)c1ccc2ccccc2c1 ZINC001733374671 1205108378 /nfs/dbraw/zinc/10/83/78/1205108378.db2.gz KBWQZPWYGGSUNM-SFHVURJKSA-N 0 3 308.425 3.266 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001733409660 1205121707 /nfs/dbraw/zinc/12/17/07/1205121707.db2.gz BVNSUVHHMBVFSS-APWZRJJASA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001733453820 1205138241 /nfs/dbraw/zinc/13/82/41/1205138241.db2.gz WKGOSRFKCUZCLO-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001733462522 1205144352 /nfs/dbraw/zinc/14/43/52/1205144352.db2.gz MXCFNRFAELXYAX-BMFAXAFESA-N 0 3 304.478 3.217 20 30 DGEDHN C=CCN[C@@H](CNC(=O)/C=C/c1ccc[nH]1)c1ccccc1CC ZINC001733518674 1205151806 /nfs/dbraw/zinc/15/18/06/1205151806.db2.gz PUDBHMQSPKCXJO-CVTTXWKISA-N 0 3 323.440 3.223 20 30 DGEDHN CCc1ccccc1[C@H](CNC(=O)[C@H](C)C#N)NCC=C(C)C ZINC001733517372 1205152065 /nfs/dbraw/zinc/15/20/65/1205152065.db2.gz FXOGQIGZLDHHKS-QAPCUYQASA-N 0 3 313.445 3.122 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1CC ZINC001733570939 1205165232 /nfs/dbraw/zinc/16/52/32/1205165232.db2.gz GIEGAELUTHYAER-RBUKOAKNSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC001733576515 1205166646 /nfs/dbraw/zinc/16/66/46/1205166646.db2.gz QDXOEYRBVSUFOO-CALCHBBNSA-N 0 3 316.420 3.072 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC(F)(F)F ZINC001733600718 1205171377 /nfs/dbraw/zinc/17/13/77/1205171377.db2.gz NPRIPPCBQBJPAD-QWHCGFSZSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CC(C)(C)CC(F)F)[C@@H]2C1 ZINC001733605621 1205171947 /nfs/dbraw/zinc/17/19/47/1205171947.db2.gz KXIAWCBVWKUFLT-UONOGXRCSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccccc2CC)C1 ZINC001733661683 1205178362 /nfs/dbraw/zinc/17/83/62/1205178362.db2.gz KPDQXQKDTPWREC-OAHLLOKOSA-N 0 3 320.864 3.443 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)C(C)(C)C ZINC001733677809 1205181551 /nfs/dbraw/zinc/18/15/51/1205181551.db2.gz SQWJYWNOPBJVEC-INIZCTEOSA-N 0 3 314.473 3.440 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001733680094 1205182728 /nfs/dbraw/zinc/18/27/28/1205182728.db2.gz KAVRALMESUAXNA-SJORKVTESA-N 0 3 312.457 3.194 20 30 DGEDHN C[C@H](NC/C=C/Cl)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001733682537 1205184009 /nfs/dbraw/zinc/18/40/09/1205184009.db2.gz SOXMVLMMBTUSAS-HIAHOFKASA-N 0 3 316.832 3.119 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](CC(C)C)c2ccccc2)CCC1 ZINC001733723954 1205195230 /nfs/dbraw/zinc/19/52/30/1205195230.db2.gz CPHNYPVSVZACPS-GOSISDBHSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCNC1(CNC(=O)c2c3ccccc3oc2CC)CCC1 ZINC001733728439 1205197132 /nfs/dbraw/zinc/19/71/32/1205197132.db2.gz WUGACFBJJBJIFA-UHFFFAOYSA-N 0 3 324.424 3.261 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001733766363 1205204403 /nfs/dbraw/zinc/20/44/03/1205204403.db2.gz FJYSEHLOXRSCKZ-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@]3(CCN(CC#CC)C3)C2)CCC1 ZINC001733813807 1205225174 /nfs/dbraw/zinc/22/51/74/1205225174.db2.gz NFQANOKKDQJLDX-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001733849782 1205230657 /nfs/dbraw/zinc/23/06/57/1205230657.db2.gz JZPBSMRBLORZKQ-NWDGAFQWSA-N 0 3 319.276 3.344 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(C)(NCc2csc(C)n2)CC1 ZINC001733863673 1205234488 /nfs/dbraw/zinc/23/44/88/1205234488.db2.gz WMRUQZPPQSOMTP-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(C)(NCc2cc(C)no2)CC1 ZINC001733865831 1205235158 /nfs/dbraw/zinc/23/51/58/1205235158.db2.gz IKTFVTUCACJIMP-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H](C)CCCC)CC2)C1 ZINC001733910219 1205251391 /nfs/dbraw/zinc/25/13/91/1205251391.db2.gz VEXOXQKHQXBTPG-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC001733931750 1205261483 /nfs/dbraw/zinc/26/14/83/1205261483.db2.gz HZKDXJZKXXUWIO-LJQANCHMSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC001733932037 1205261896 /nfs/dbraw/zinc/26/18/96/1205261896.db2.gz DCVWXJODKVGVRE-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001733934635 1205263007 /nfs/dbraw/zinc/26/30/07/1205263007.db2.gz PKZJAKGZDLDABB-CMKODMSKSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1C ZINC001733936456 1205265312 /nfs/dbraw/zinc/26/53/12/1205265312.db2.gz HVNIUOQNIKQXTH-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1(CC)CCCC1 ZINC001733939507 1205266144 /nfs/dbraw/zinc/26/61/44/1205266144.db2.gz YWJNAJKYOHXJPY-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001733955869 1205270167 /nfs/dbraw/zinc/27/01/67/1205270167.db2.gz LJDOITCDMFZZGM-OTTFEQOBSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cc(Cl)ccc1OC ZINC001733962009 1205272039 /nfs/dbraw/zinc/27/20/39/1205272039.db2.gz CPSPKMWRYQNBHX-QWHCGFSZSA-N 0 3 324.852 3.298 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccccc1F ZINC001733990076 1205280634 /nfs/dbraw/zinc/28/06/34/1205280634.db2.gz BPSZLTIJYLASLV-GJZGRUSLSA-N 0 3 304.409 3.002 20 30 DGEDHN CCC1(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)CCC1 ZINC001733990056 1205280847 /nfs/dbraw/zinc/28/08/47/1205280847.db2.gz BIVVLNZGGLDVTK-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN C[C@@H](CNC(=O)CCC1CCC1)N(C)Cc1ccc(C#N)cc1 ZINC001734035813 1205297623 /nfs/dbraw/zinc/29/76/23/1205297623.db2.gz RQZJAXDIXHLJFB-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001734036138 1205298359 /nfs/dbraw/zinc/29/83/59/1205298359.db2.gz SHWVYVHDUOXNFU-ZIAGYGMSSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001734062985 1205312623 /nfs/dbraw/zinc/31/26/23/1205312623.db2.gz ODXXASKPIFAGJT-OLZOCXBDSA-N 0 3 306.475 3.109 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001734107092 1205326074 /nfs/dbraw/zinc/32/60/74/1205326074.db2.gz VMQNUSFUFSGCMR-IAGOWNOFSA-N 0 3 316.445 3.076 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001734123113 1205330081 /nfs/dbraw/zinc/33/00/81/1205330081.db2.gz DKVPQCVYAIBPBJ-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(F)cc2)C(C)(C)C1 ZINC001734147548 1205335021 /nfs/dbraw/zinc/33/50/21/1205335021.db2.gz CYUAYHVIZXGWIH-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001734220333 1205346192 /nfs/dbraw/zinc/34/61/92/1205346192.db2.gz RBRNOHMLXOWODU-JREQNMATSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCNCc2oc(C)nc2C)C1 ZINC001734250481 1205349781 /nfs/dbraw/zinc/34/97/81/1205349781.db2.gz HFHIMFABUDVTLN-CYBMUJFWSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(Cl)CNCCC[C@H](NC(=O)C(F)F)c1ccccc1 ZINC001734284856 1205356178 /nfs/dbraw/zinc/35/61/78/1205356178.db2.gz SVGDMYTYKLFVEB-ZDUSSCGKSA-N 0 3 316.779 3.231 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CCCC1(F)F)C(C)C ZINC001734552056 1205391800 /nfs/dbraw/zinc/39/18/00/1205391800.db2.gz MVGNOOXCMPWNOO-CQSZACIVSA-N 0 3 302.409 3.167 20 30 DGEDHN C#CCCN(C)CCN(C(=O)Cc1ccccc1Cl)C(C)C ZINC001734554557 1205392584 /nfs/dbraw/zinc/39/25/84/1205392584.db2.gz NHQUBOROQKEILD-UHFFFAOYSA-N 0 3 320.864 3.075 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)CCC(C)C)CC[C@H]1C(F)(F)F ZINC001734587975 1205401909 /nfs/dbraw/zinc/40/19/09/1205401909.db2.gz RHKCGZRLEZYYKA-KGLIPLIRSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cscc2Cl)C1 ZINC001700374838 1202254371 /nfs/dbraw/zinc/25/43/71/1202254371.db2.gz MCRXMRAILUUHQO-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)CC(F)F)CC[C@H]1C ZINC001132190188 1082838510 /nfs/dbraw/zinc/83/85/10/1082838510.db2.gz FNDJBCINIHHLOP-CHWSQXEVSA-N 0 3 302.409 3.213 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001266272765 1081607652 /nfs/dbraw/zinc/60/76/52/1081607652.db2.gz BIHKCUXWFUWTBX-AWEZNQCLSA-N 0 3 306.837 3.108 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001266311533 1081656105 /nfs/dbraw/zinc/65/61/05/1081656105.db2.gz AJFXUCLMBFNQSO-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C1CCC(C(=O)NCCN(C)CCc2ccccc2F)CC1 ZINC001266320187 1081662713 /nfs/dbraw/zinc/66/27/13/1081662713.db2.gz BKJMUBOQKBXDJR-UHFFFAOYSA-N 0 3 318.436 3.163 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2sccc2c1 ZINC001169910616 1081675352 /nfs/dbraw/zinc/67/53/52/1081675352.db2.gz DDTHQAGCNBPZOI-UHFFFAOYSA-N 0 3 308.834 3.363 20 30 DGEDHN C=C(C)CN(CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC001169952896 1081683840 /nfs/dbraw/zinc/68/38/40/1081683840.db2.gz MCSPYPRVHDAPQH-HDICACEKSA-N 0 3 302.462 3.174 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001167116881 1081713292 /nfs/dbraw/zinc/71/32/92/1081713292.db2.gz XISIOODBXDBZRL-HXUWFJFHSA-N 0 3 322.408 3.288 20 30 DGEDHN C=C(C)CCC(=O)NCCN(CC)Cc1ccc2cc[nH]c2c1 ZINC001266393234 1081738496 /nfs/dbraw/zinc/73/84/96/1081738496.db2.gz ZSOBJEHRSAWXPO-UHFFFAOYSA-N 0 3 313.445 3.462 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001266422722 1081782586 /nfs/dbraw/zinc/78/25/86/1081782586.db2.gz MZCACRGFFGMKRU-ZWKOTPCHSA-N 0 3 300.446 3.031 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1CC ZINC001109208311 1081784738 /nfs/dbraw/zinc/78/47/38/1081784738.db2.gz JBJWPIMTOWOLBM-AABGKKOBSA-N 0 3 324.468 3.274 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1F)C2 ZINC001109229283 1081787129 /nfs/dbraw/zinc/78/71/29/1081787129.db2.gz NERHQJPXTMIQMN-XBFCOCLRSA-N 0 3 308.422 3.189 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001266428090 1081792968 /nfs/dbraw/zinc/79/29/68/1081792968.db2.gz AHAOWOUWIJURGA-IEBWSBKVSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCC1(C(=O)NCCN(CC)C[C@@H]2CC[C@@H](C)O2)CCCC1 ZINC001266440584 1081820242 /nfs/dbraw/zinc/82/02/42/1081820242.db2.gz YQUNZMVKUHSREO-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CCCCC1)C2 ZINC001109509823 1081854461 /nfs/dbraw/zinc/85/44/61/1081854461.db2.gz RORRMLLCSFWWDV-IKGGRYGDSA-N 0 3 302.462 3.092 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H](CN(C)CCF)C2)CCCC1 ZINC001266475824 1081878075 /nfs/dbraw/zinc/87/80/75/1081878075.db2.gz MWZFAEZWFAVFQN-INIZCTEOSA-N 0 3 310.457 3.263 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001167277949 1081882457 /nfs/dbraw/zinc/88/24/57/1081882457.db2.gz ZOWLXBCBLYYLEP-HUUCEWRRSA-N 0 3 312.885 3.297 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C2 ZINC001109834008 1081922890 /nfs/dbraw/zinc/92/28/90/1081922890.db2.gz FWXYBFBJDVVEAL-NQYYFHDYSA-N 0 3 316.489 3.338 20 30 DGEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC(C)C)C2 ZINC001109864471 1081925678 /nfs/dbraw/zinc/92/56/78/1081925678.db2.gz DNHCURPREYHDER-SQNIBIBYSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oncc1C)C2 ZINC001109922772 1081934030 /nfs/dbraw/zinc/93/40/30/1081934030.db2.gz NXSBVFXNNWSSOQ-PMPSAXMXSA-N 0 3 317.433 3.065 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001266518161 1081934983 /nfs/dbraw/zinc/93/49/83/1081934983.db2.gz VTHIGCBUQANGMQ-AWEZNQCLSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001086532187 1081936602 /nfs/dbraw/zinc/93/66/02/1081936602.db2.gz JQGHHCLTXHSACN-JOCQHMNTSA-N 0 3 310.825 3.001 20 30 DGEDHN C[Si](C)(C)C#CNC[C@H](O)c1c(Cl)cccc1Cl ZINC001170032775 1081939765 /nfs/dbraw/zinc/93/97/65/1081939765.db2.gz VBSKPBJTQLYCEW-LBPRGKRZSA-N 0 3 302.277 3.455 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](CC)CCC)C[C@H](C)O2 ZINC001111553180 1081950741 /nfs/dbraw/zinc/95/07/41/1081950741.db2.gz WTVOBPVKLGJNQR-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001086535948 1081956282 /nfs/dbraw/zinc/95/62/82/1081956282.db2.gz GVYHBJXGOJDRES-QSPRXWTASA-N 0 3 318.848 3.027 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001266533596 1081963052 /nfs/dbraw/zinc/96/30/52/1081963052.db2.gz MTYIKRIUAPVNEK-RHSMWYFYSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001086541498 1081970427 /nfs/dbraw/zinc/97/04/27/1081970427.db2.gz JWFWCHYQHMDIHI-SHTZXODSSA-N 0 3 306.837 3.154 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001266552159 1081988063 /nfs/dbraw/zinc/98/80/63/1081988063.db2.gz OHQFGNQAXSKUQL-ROUUACIJSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCN(CCNC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC001266553835 1081991247 /nfs/dbraw/zinc/99/12/47/1081991247.db2.gz JWPJPSROAVAXNL-UHFFFAOYSA-N 0 3 321.424 3.200 20 30 DGEDHN C#CCCCCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112774080 1082001530 /nfs/dbraw/zinc/00/15/30/1082001530.db2.gz GIIBDVUUDDPMOP-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1CC(C)C ZINC001266579317 1082025675 /nfs/dbraw/zinc/02/56/75/1082025675.db2.gz NJJWOELLOWKOEF-UHFFFAOYSA-N 0 3 314.473 3.350 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(Cl)cc1OC)C1CC1 ZINC001266607288 1082058466 /nfs/dbraw/zinc/05/84/66/1082058466.db2.gz UMAALRNBYNXUGR-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001167391514 1082059807 /nfs/dbraw/zinc/05/98/07/1082059807.db2.gz JOCFNUBDBQSYHK-AWEZNQCLSA-N 0 3 323.481 3.068 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(F)F)c(F)c1)C1CC1 ZINC001266609853 1082063945 /nfs/dbraw/zinc/06/39/45/1082063945.db2.gz ZRZIZHQFYVYSKB-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C=C(C)CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(F)F)C1 ZINC001086570944 1082087980 /nfs/dbraw/zinc/08/79/80/1082087980.db2.gz XGXLHABYLLIFQS-JKSUJKDBSA-N 0 3 322.399 3.192 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cccc(OC)c2Cl)C1 ZINC001266671792 1082131943 /nfs/dbraw/zinc/13/19/43/1082131943.db2.gz CAUISZZIPAFNSA-OKILXGFUSA-N 0 3 322.836 3.052 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2c(F)cccc2F)CC1 ZINC001113270758 1082157554 /nfs/dbraw/zinc/15/75/54/1082157554.db2.gz ZZUALZOZMIHFSU-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001266708197 1082159958 /nfs/dbraw/zinc/15/99/58/1082159958.db2.gz OPBJUVNAFLGMCK-SDDRHHMPSA-N 0 3 305.249 3.145 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001266718734 1082166855 /nfs/dbraw/zinc/16/68/55/1082166855.db2.gz BXTXVVKBUZEEFT-RFQIPJPRSA-N 0 3 300.874 3.294 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC001113391632 1082194349 /nfs/dbraw/zinc/19/43/49/1082194349.db2.gz MITKQLPWKOAICT-KRWDZBQOSA-N 0 3 314.473 3.290 20 30 DGEDHN C=CC1(CC(=O)NC[C@H]2CCCN(CC#CC)C2)CCCCC1 ZINC001266763584 1082201053 /nfs/dbraw/zinc/20/10/53/1082201053.db2.gz GHNPCDDHDYZIIV-GOSISDBHSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CCCC2CCCC2)C1 ZINC001266769997 1082205197 /nfs/dbraw/zinc/20/51/97/1082205197.db2.gz MWHKVUFWXLVOJX-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001113580613 1082253396 /nfs/dbraw/zinc/25/33/96/1082253396.db2.gz VBSPEQTYEVDXOS-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC001113597937 1082258851 /nfs/dbraw/zinc/25/88/51/1082258851.db2.gz YHIQAJSTEZMAAP-HNNXBMFYSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2sc(C)cc2C)CC1 ZINC001113592733 1082259678 /nfs/dbraw/zinc/25/96/78/1082259678.db2.gz UODKWOOQMUMGAQ-OAHLLOKOSA-N 0 3 320.502 3.406 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001113611469 1082264161 /nfs/dbraw/zinc/26/41/61/1082264161.db2.gz PIEKNVMRQPVCJY-SFHVURJKSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001266859018 1082276578 /nfs/dbraw/zinc/27/65/78/1082276578.db2.gz WCPMEFLZSNKMPI-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCCCOCC)CC1 ZINC001113706364 1082287565 /nfs/dbraw/zinc/28/75/65/1082287565.db2.gz CRNSCMFXDYJXEB-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCC[C@H]1CNCCF)c1ccccc1 ZINC001266883554 1082300819 /nfs/dbraw/zinc/30/08/19/1082300819.db2.gz CBBCUUDYJRGQKC-AEFFLSMTSA-N 0 3 318.436 3.287 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001266894953 1082311528 /nfs/dbraw/zinc/31/15/28/1082311528.db2.gz LAILVYJFVCKNGN-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCC2CCCCC2)C1 ZINC001266898139 1082317881 /nfs/dbraw/zinc/31/78/81/1082317881.db2.gz SPYJBBULZMBVKK-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)CCc1ccccc1Cl ZINC001480899220 1082319668 /nfs/dbraw/zinc/31/96/68/1082319668.db2.gz KBFDNCXKDLZWKW-UHFFFAOYSA-N 0 3 308.853 3.143 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001170282702 1082340878 /nfs/dbraw/zinc/34/08/78/1082340878.db2.gz MUWCULHFPSNHBA-OAHLLOKOSA-N 0 3 321.490 3.101 20 30 DGEDHN COc1ccc(C[C@H](C)NCC#Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170311516 1082344241 /nfs/dbraw/zinc/34/42/41/1082344241.db2.gz CGDCSAOGKJTHRT-HNNXBMFYSA-N 0 3 324.380 3.176 20 30 DGEDHN N#CC1(c2ccccc2)CCC(NC2(c3cnccn3)CC2)CC1 ZINC001170374361 1082362994 /nfs/dbraw/zinc/36/29/94/1082362994.db2.gz YZIWNIAHWKPROM-UHFFFAOYSA-N 0 3 318.424 3.459 20 30 DGEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN([C@@H](CC)c3ccc(F)cc3)C[C@H]21 ZINC001114025310 1082399522 /nfs/dbraw/zinc/39/95/22/1082399522.db2.gz KHHQBCFIXFLBJV-MJQMVNBJSA-N 0 3 316.420 3.289 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1c1ccccc1 ZINC001211530073 1082413898 /nfs/dbraw/zinc/41/38/98/1082413898.db2.gz JUTLWQLVNWFXGA-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC[C@@H](C)CC)CC1 ZINC001167507449 1082461773 /nfs/dbraw/zinc/46/17/73/1082461773.db2.gz VGRBZUVMDKDRIB-ZDUSSCGKSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC[C@H](C)CC)CC1 ZINC001167507448 1082461858 /nfs/dbraw/zinc/46/18/58/1082461858.db2.gz VGRBZUVMDKDRIB-CYBMUJFWSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2csc(CC)n2)C1 ZINC001267076804 1082480810 /nfs/dbraw/zinc/48/08/10/1082480810.db2.gz ATWGMAMFFYBWRP-KBPBESRZSA-N 0 3 321.490 3.189 20 30 DGEDHN C=C[C@H](CC(=O)N1CCC[C@H](N(C)CC#CC)C1)c1ccccc1 ZINC001267114970 1082533645 /nfs/dbraw/zinc/53/36/45/1082533645.db2.gz OGKMHGOXIGKJPJ-QUCCMNQESA-N 0 3 324.468 3.292 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2ccsc2[nH]1 ZINC001267140220 1082556999 /nfs/dbraw/zinc/55/69/99/1082556999.db2.gz PKWJPPCTPBSASQ-JTQLQIEISA-N 0 3 311.838 3.080 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2ccsc2[nH]1 ZINC001267140221 1082557147 /nfs/dbraw/zinc/55/71/47/1082557147.db2.gz PKWJPPCTPBSASQ-SNVBAGLBSA-N 0 3 311.838 3.080 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@]1(C)C=CCC1 ZINC001267174492 1082597756 /nfs/dbraw/zinc/59/77/56/1082597756.db2.gz LJNQMNONGVDPNJ-DOTOQJQBSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCc1ccccc1F ZINC001267210207 1082641845 /nfs/dbraw/zinc/64/18/45/1082641845.db2.gz BTWXCPMKZJJNDQ-UHFFFAOYSA-N 0 3 306.425 3.019 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1c1ccccc1 ZINC001211567864 1082659050 /nfs/dbraw/zinc/65/90/50/1082659050.db2.gz RNVHHXJJYPBTGZ-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN CC[C@@H](C)C(=O)NCCCN(Cc1ccccc1C#N)C(C)C ZINC001267235582 1082680196 /nfs/dbraw/zinc/68/01/96/1082680196.db2.gz FFXFSVQKAOYKGA-MRXNPFEDSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@@H](C)O2 ZINC001131666936 1082700809 /nfs/dbraw/zinc/70/08/09/1082700809.db2.gz VQFVXNNBAJVBER-APWZRJJASA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(CC)CC)C[C@@H](C)O2 ZINC001131691851 1082706852 /nfs/dbraw/zinc/70/68/52/1082706852.db2.gz AQYHGHPJGSZAAC-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCC2CCCC2)CC[C@H]1C ZINC001131764200 1082726170 /nfs/dbraw/zinc/72/61/70/1082726170.db2.gz DNEAAUXZKPVHSG-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)CCCC(C)=O)CC[C@@H]1C ZINC001131804317 1082733855 /nfs/dbraw/zinc/73/38/55/1082733855.db2.gz XUHTVKFVBBFODE-FUHWJXTLSA-N 0 3 322.493 3.461 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001267279225 1082741739 /nfs/dbraw/zinc/74/17/39/1082741739.db2.gz ZZZXIJINQGKSPP-CABCVRRESA-N 0 3 304.409 3.086 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001493303680 1082742276 /nfs/dbraw/zinc/74/22/76/1082742276.db2.gz DDRVMMIBYWFEQU-SJORKVTESA-N 0 3 304.478 3.076 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001131862626 1082747153 /nfs/dbraw/zinc/74/71/53/1082747153.db2.gz WHZZCENFXRBARJ-GXTWGEPZSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001131886437 1082754123 /nfs/dbraw/zinc/75/41/23/1082754123.db2.gz JJWWBXJKDABBQM-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCOc2ccccc2)C1 ZINC001131895917 1082763050 /nfs/dbraw/zinc/76/30/50/1082763050.db2.gz NHEUZHBJXQNJGD-IRXDYDNUSA-N 0 3 316.445 3.001 20 30 DGEDHN CCCN(CCNC(=O)C(C)(C)CC)Cc1cccc(C#N)c1 ZINC001267317008 1082785357 /nfs/dbraw/zinc/78/53/57/1082785357.db2.gz LDEZGBPWKUTYCG-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132001486 1082790926 /nfs/dbraw/zinc/79/09/26/1082790926.db2.gz ACYXCEHBPZWPJS-PKOBYXMFSA-N 0 3 312.457 3.268 20 30 DGEDHN Cc1ccccc1CN1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018690 1082798038 /nfs/dbraw/zinc/79/80/38/1082798038.db2.gz YSRYGRMAIFNPKB-PKOBYXMFSA-N 0 3 312.457 3.124 20 30 DGEDHN C=CCN(CCNC(=O)[C@]1(C)CCCc2ccccc21)C1CC1 ZINC001267334774 1082811580 /nfs/dbraw/zinc/81/15/80/1082811580.db2.gz FMJCOICVSDDSSH-HXUWFJFHSA-N 0 3 312.457 3.047 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@@H](C)c1ccccc1)C1CC1 ZINC001267337096 1082814480 /nfs/dbraw/zinc/81/44/80/1082814480.db2.gz GTNCTSNSJGEIRL-MRXNPFEDSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C2(CC(C)C)CC2)C[C@H]1c1ccccc1 ZINC001211616127 1082833054 /nfs/dbraw/zinc/83/30/54/1082833054.db2.gz XOPWSDYGFIPIBC-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccc(CC)n1)c1ccccc1 ZINC001267363126 1082835129 /nfs/dbraw/zinc/83/51/29/1082835129.db2.gz ZNUMXTVDIOGZCA-IBGZPJMESA-N 0 3 323.440 3.281 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cccc(Cl)c2)CC[C@@H]1C ZINC001132202074 1082842353 /nfs/dbraw/zinc/84/23/53/1082842353.db2.gz BSTIPZPYUVQAMJ-WMLDXEAASA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cccc(Cl)c2)CC[C@@H]1C ZINC001132202075 1082842702 /nfs/dbraw/zinc/84/27/02/1082842702.db2.gz BSTIPZPYUVQAMJ-YOEHRIQHSA-N 0 3 320.864 3.428 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132217925 1082844705 /nfs/dbraw/zinc/84/47/05/1082844705.db2.gz JKEGERYXKCFWER-CVEARBPZSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(Cl)c2occc21 ZINC001480936576 1082847342 /nfs/dbraw/zinc/84/73/42/1082847342.db2.gz YVTIUDJWFAHNGI-UHFFFAOYSA-N 0 3 306.793 3.324 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(CCC)CCC2)CC[C@@H]1C ZINC001132248732 1082853356 /nfs/dbraw/zinc/85/33/56/1082853356.db2.gz HVRADRKIJMDLPH-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccccc2)CC[C@@H]1C ZINC001132252201 1082854501 /nfs/dbraw/zinc/85/45/01/1082854501.db2.gz BULAIWLMKZWVKW-WMZOPIPTSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCCC(C)C)C1 ZINC001132252726 1082854823 /nfs/dbraw/zinc/85/48/23/1082854823.db2.gz JGVDOIOVALTYTH-ROUUACIJSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001283583009 1082868352 /nfs/dbraw/zinc/86/83/52/1082868352.db2.gz QOKSRJAZGYQKNA-LBPRGKRZSA-N 0 3 312.816 3.382 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(CCCC)CC2)CC[C@@H]1C ZINC001132278775 1082868887 /nfs/dbraw/zinc/86/88/87/1082868887.db2.gz QRPXAEXOCWAMQA-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCNCc1cc(F)ccc1C ZINC001267411674 1082870577 /nfs/dbraw/zinc/87/05/77/1082870577.db2.gz BEZOTHTYPAWCNM-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccc(F)cc2)CC[C@H]1C ZINC001132327592 1082880561 /nfs/dbraw/zinc/88/05/61/1082880561.db2.gz RKZITCAYFZZXBX-CRAIPNDOSA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132449085 1082914523 /nfs/dbraw/zinc/91/45/23/1082914523.db2.gz RKPIGOOUGQNZEQ-SJORKVTESA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@@]12CCN(C1)CCC2)c1ccccc1 ZINC001132470639 1082920757 /nfs/dbraw/zinc/92/07/57/1082920757.db2.gz QIDHZCYNILUREO-ICSRJNTNSA-N 0 3 312.457 3.481 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2F)CC[C@H]1C ZINC001132481388 1082921961 /nfs/dbraw/zinc/92/19/61/1082921961.db2.gz FBLPRCFRBJQRBP-NVXWUHKLSA-N 0 3 318.436 3.304 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC3=CCCCC3)C(C)(C)[C@H]21 ZINC001087276637 1082926949 /nfs/dbraw/zinc/92/69/49/1082926949.db2.gz AVMPBUZGFCYTEX-NEWSRXKRSA-N 0 3 314.473 3.115 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(C)=C1CCCC1 ZINC001087280606 1082934718 /nfs/dbraw/zinc/93/47/18/1082934718.db2.gz RNZKSDZMYXFLKC-FGTMMUONSA-N 0 3 314.473 3.115 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCOCC)C2)CCCC1 ZINC001132546531 1082939326 /nfs/dbraw/zinc/93/93/26/1082939326.db2.gz NGSGMONCBDERKT-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)n2cccc2)C1 ZINC001267487117 1082943779 /nfs/dbraw/zinc/94/37/79/1082943779.db2.gz APTHYRMBBWBJFQ-QZTJIDSGSA-N 0 3 317.477 3.328 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132569657 1082948624 /nfs/dbraw/zinc/94/86/24/1082948624.db2.gz VZYUXSCTQWEWAE-VXGBXAGGSA-N 0 3 312.816 3.143 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132574272 1082949992 /nfs/dbraw/zinc/94/99/92/1082949992.db2.gz YQGWUHRKISUDQJ-CHWSQXEVSA-N 0 3 324.852 3.013 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132573532 1082950481 /nfs/dbraw/zinc/95/04/81/1082950481.db2.gz OXEJUQHVBRXSGJ-QWHCGFSZSA-N 0 3 324.852 3.013 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCCn2cccc2)C1 ZINC001267495487 1082953853 /nfs/dbraw/zinc/95/38/53/1082953853.db2.gz CVECORMEDYYKLH-GOSISDBHSA-N 0 3 317.477 3.157 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132653200 1082968116 /nfs/dbraw/zinc/96/81/16/1082968116.db2.gz HESFDIVQYOQCSW-CYBMUJFWSA-N 0 3 324.852 3.157 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132653742 1082968522 /nfs/dbraw/zinc/96/85/22/1082968522.db2.gz RDJSQMCNNHOAOH-GFCCVEGCSA-N 0 3 312.816 3.287 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C#CC(C)C)c1ccc(C(C)C)cc1 ZINC001267512414 1082971874 /nfs/dbraw/zinc/97/18/74/1082971874.db2.gz JTGWXDADHOPIGG-HXUWFJFHSA-N 0 3 324.468 3.240 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ncc(Cl)s1)c1ccccc1 ZINC001267521590 1082980927 /nfs/dbraw/zinc/98/09/27/1082980927.db2.gz UMHSJTFQHFDXBC-GFCCVEGCSA-N 0 3 321.833 3.043 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc(CC)ccn1)c1ccccc1 ZINC001267521337 1082981883 /nfs/dbraw/zinc/98/18/83/1082981883.db2.gz SIZOFHWSDQBKTL-LJQANCHMSA-N 0 3 323.440 3.281 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001086691713 1082984153 /nfs/dbraw/zinc/98/41/53/1082984153.db2.gz YMPFWCWKEGAASM-QWHCGFSZSA-N 0 3 312.866 3.297 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(C)(C)[C@H]21 ZINC001087314161 1082985570 /nfs/dbraw/zinc/98/55/70/1082985570.db2.gz GNBDUGNQWIBOOI-QYZOEREBSA-N 0 3 324.468 3.237 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 ZINC001267526640 1082989285 /nfs/dbraw/zinc/98/92/85/1082989285.db2.gz RUNGDHIWTGYADI-OTGCGEFBSA-N 0 3 324.468 3.283 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)cc1OC)c1ccccc1 ZINC001267526821 1082989302 /nfs/dbraw/zinc/98/93/02/1082989302.db2.gz XWBXXZVYJPSHLB-SFHVURJKSA-N 0 3 324.424 3.250 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2ncoc2C2CC2)C1 ZINC001267549276 1083019903 /nfs/dbraw/zinc/01/99/03/1083019903.db2.gz VCMSPTJMUAVLSR-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2cscn2)C1 ZINC001133074117 1083041546 /nfs/dbraw/zinc/04/15/46/1083041546.db2.gz YDUREMRJHWMXLF-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@H](C)c1cccc(F)c1 ZINC001480971906 1083055869 /nfs/dbraw/zinc/05/58/69/1083055869.db2.gz URBVLJHHYSYXEJ-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(Cl)cnc1C#N ZINC001170681452 1083106018 /nfs/dbraw/zinc/10/60/18/1083106018.db2.gz FZNCYBZOLHRTEA-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001133380967 1083110688 /nfs/dbraw/zinc/11/06/88/1083110688.db2.gz SQIOJAGXKKEFLA-IBGZPJMESA-N 0 3 316.445 3.036 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)CC ZINC001133403751 1083116216 /nfs/dbraw/zinc/11/62/16/1083116216.db2.gz HDSUQLOJUWWUKB-UHFFFAOYSA-N 0 3 320.864 3.328 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)CCC=C)C1 ZINC001267596214 1083127759 /nfs/dbraw/zinc/12/77/59/1083127759.db2.gz MRYXZVLQGIMCSP-FQEVSTJZSA-N 0 3 324.468 3.469 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)C1CCCC1)NCc1ccccc1C#N ZINC001133466067 1083130646 /nfs/dbraw/zinc/13/06/46/1083130646.db2.gz WVWYNPGTZYHISM-GJZGRUSLSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1cc2ccccc2o1 ZINC001481051057 1083135163 /nfs/dbraw/zinc/13/51/63/1083135163.db2.gz YYQGYCVTKGSPOY-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN CCCCCC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481077342 1083151527 /nfs/dbraw/zinc/15/15/27/1083151527.db2.gz QTZWCZUVEYQPJI-SFHVURJKSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2cccc(C(C)C)n2)C1 ZINC001481083228 1083156083 /nfs/dbraw/zinc/15/60/83/1083156083.db2.gz LMHABJRRZKKDBH-INIZCTEOSA-N 0 3 315.461 3.109 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104631642 1083168378 /nfs/dbraw/zinc/16/83/78/1083168378.db2.gz VWWZJKXTOFFNBB-FRFSOERESA-N 0 3 312.885 3.415 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc2ccccc2o1 ZINC001133889304 1083208150 /nfs/dbraw/zinc/20/81/50/1083208150.db2.gz UJPYNNCJVQZGEJ-ZIAGYGMSSA-N 0 3 315.417 3.167 20 30 DGEDHN CC(C)c1ccccc1CN(CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001493356044 1083209364 /nfs/dbraw/zinc/20/93/64/1083209364.db2.gz CPQNCFKIAXFXQO-OAHLLOKOSA-N 0 3 313.445 3.050 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1C[C@H]1c1ccccc1CC)C1CC1 ZINC001481182632 1083229455 /nfs/dbraw/zinc/22/94/55/1083229455.db2.gz LNZBCYYXVBHSAO-RBUKOAKNSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCOC(C)C)C2)CCC1 ZINC001267629818 1083233385 /nfs/dbraw/zinc/23/33/85/1083233385.db2.gz LSSJEAHADIMYJI-KRWDZBQOSA-N 0 3 322.493 3.129 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)C1=CCCC1 ZINC001134122241 1083245350 /nfs/dbraw/zinc/24/53/50/1083245350.db2.gz BBVUVTCRQRRUCV-LSDHHAIUSA-N 0 3 311.429 3.041 20 30 DGEDHN C[C@H](CC(=O)NCCNCc1cccc(C#N)c1)CC(C)(C)C ZINC001134254575 1083261232 /nfs/dbraw/zinc/26/12/32/1083261232.db2.gz HAJNRMWPIHNSQP-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134470167 1083294226 /nfs/dbraw/zinc/29/42/26/1083294226.db2.gz NWWIMVWFSOMWSA-QWHCGFSZSA-N 0 3 309.479 3.181 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001134470180 1083294307 /nfs/dbraw/zinc/29/43/07/1083294307.db2.gz OCULMPIWVKLVTG-STQMWFEESA-N 0 3 323.506 3.489 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001134476824 1083298193 /nfs/dbraw/zinc/29/81/93/1083298193.db2.gz YDDMXXWCVIGGMK-ZIAGYGMSSA-N 0 3 321.465 3.275 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267748031 1083314579 /nfs/dbraw/zinc/31/45/79/1083314579.db2.gz MFQVVKJQPXYDQZ-SJLPKXTDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCC1(C(=O)N2CCC(CN(C)CCF)CC2)CCCC1 ZINC001267763933 1083328276 /nfs/dbraw/zinc/32/82/76/1083328276.db2.gz DYXUHTJXDRPDLJ-UHFFFAOYSA-N 0 3 310.457 3.263 20 30 DGEDHN C=CCCCN1CC[C@@H](N(C)C(=O)c2scnc2C2CC2)C1 ZINC001267773797 1083337494 /nfs/dbraw/zinc/33/74/94/1083337494.db2.gz QFZGBKVZZSVUQF-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001267777268 1083340679 /nfs/dbraw/zinc/34/06/79/1083340679.db2.gz MGJRHSZVKYKYBP-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C2(CC)CCCCC2)C1 ZINC001267777517 1083340826 /nfs/dbraw/zinc/34/08/26/1083340826.db2.gz ONXIUHXGIXOKQO-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCc2cc(C)sc2C)C1 ZINC001267778730 1083341095 /nfs/dbraw/zinc/34/10/95/1083341095.db2.gz GMLULOJPVMOLCR-KRWDZBQOSA-N 0 3 320.502 3.406 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001267790630 1083349047 /nfs/dbraw/zinc/34/90/47/1083349047.db2.gz OJSDACNAZJXOKH-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN CCCCCC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001267796294 1083352612 /nfs/dbraw/zinc/35/26/12/1083352612.db2.gz LZSGHJIVLFWIDV-SFHVURJKSA-N 0 3 300.446 3.103 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCCC[C@H]1C ZINC001267870586 1083492820 /nfs/dbraw/zinc/49/28/20/1083492820.db2.gz ODPQCSIMCTWNFC-BHOIQGAFSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001181516717 1083493113 /nfs/dbraw/zinc/49/31/13/1083493113.db2.gz DGDQQFDTKRSORE-CXAGYDPISA-N 0 3 320.383 3.109 20 30 DGEDHN CCN1CCCC[C@H]1C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001181997312 1083601047 /nfs/dbraw/zinc/60/10/47/1083601047.db2.gz XQXUQTDQGHSDSD-FQEVSTJZSA-N 0 3 324.468 3.151 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2csc(Cl)c2)cc1 ZINC001267939798 1083603528 /nfs/dbraw/zinc/60/35/28/1083603528.db2.gz WGGLHNRDVLJEIC-UHFFFAOYSA-N 0 3 318.829 3.054 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H](CC)CC(C)C)cc1 ZINC001267938932 1083605744 /nfs/dbraw/zinc/60/57/44/1083605744.db2.gz CUMLDYHRWAFRLU-GOSISDBHSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203263945 1083634400 /nfs/dbraw/zinc/63/44/00/1083634400.db2.gz FYZPORJNMGTUHZ-QQMNEEJDSA-N 0 3 308.853 3.278 20 30 DGEDHN CCCCN(CC)[C@@H](C(=O)N(C)[C@H](C)C#N)c1ccccc1 ZINC001182236243 1083650381 /nfs/dbraw/zinc/65/03/81/1083650381.db2.gz WPNWTHOMGOPHRQ-NVXWUHKLSA-N 0 3 301.434 3.220 20 30 DGEDHN CCCCN(CC)[C@@H](C(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC001182232950 1083651180 /nfs/dbraw/zinc/65/11/80/1083651180.db2.gz POBAUHFGKINKCG-QGZVFWFLSA-N 0 3 313.445 3.222 20 30 DGEDHN CCC1(C(=O)N2CCC[C@@H]2CNCC#Cc2ccccc2)CCC1 ZINC001267963004 1083655771 /nfs/dbraw/zinc/65/57/71/1083655771.db2.gz LINZXAXYEZCNOS-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@H](CCO)CC1 ZINC001182432951 1083710698 /nfs/dbraw/zinc/71/06/98/1083710698.db2.gz GRJAIHIWJNQXEL-OAHLLOKOSA-N 0 3 321.848 3.337 20 30 DGEDHN C#CCCCCC(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001125950927 1083716176 /nfs/dbraw/zinc/71/61/76/1083716176.db2.gz DRUYGEYXHXTTLW-ZDUSSCGKSA-N 0 3 324.827 3.440 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H](C)NC/C(Cl)=C\Cl)CC1 ZINC001481327984 1083773027 /nfs/dbraw/zinc/77/30/27/1083773027.db2.gz JPLJLGYKPJTPNP-HLVNSREUSA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)s1)c1ccccc1 ZINC001481361897 1083821245 /nfs/dbraw/zinc/82/12/45/1083821245.db2.gz JQNLNQSFAHLSPF-MRXNPFEDSA-N 0 3 312.438 3.141 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(C=C)cc2)C1 ZINC001481408096 1083877319 /nfs/dbraw/zinc/87/73/19/1083877319.db2.gz JMSZGTIUQXIMGO-LJQANCHMSA-N 0 3 310.441 3.279 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2oc(CC)nc2C)C1 ZINC001481409693 1083879671 /nfs/dbraw/zinc/87/96/71/1083879671.db2.gz QVQOEGLQHGTMEB-HNNXBMFYSA-N 0 3 319.449 3.048 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccccc2Cl)C1 ZINC001481411363 1083883374 /nfs/dbraw/zinc/88/33/74/1083883374.db2.gz YHPXJRIZHJPDTF-HNNXBMFYSA-N 0 3 318.848 3.290 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(F)cc2C)CC1 ZINC001167801448 1084004242 /nfs/dbraw/zinc/00/42/42/1084004242.db2.gz AWQUPVMAWBRQIF-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](CN(C)CCC(F)(F)F)C2)C1 ZINC001481497519 1084013172 /nfs/dbraw/zinc/01/31/72/1084013172.db2.gz KTXZTSROIVYDJM-CYBMUJFWSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183961201 1084074253 /nfs/dbraw/zinc/07/42/53/1084074253.db2.gz XNUBFCPTAZRKOR-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001481537164 1084105817 /nfs/dbraw/zinc/10/58/17/1084105817.db2.gz KFSXHUDEQBFRLV-GOEBONIOSA-N 0 3 314.420 3.215 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](CNC[C@@H](F)CC)CC(C)C)cc1 ZINC001268110694 1084182676 /nfs/dbraw/zinc/18/26/76/1084182676.db2.gz VWUAJXFMPROKEL-ROUUACIJSA-N 0 3 318.436 3.150 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001185050639 1084322534 /nfs/dbraw/zinc/32/25/34/1084322534.db2.gz UJLSUXGSEPMDEV-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001185051044 1084322598 /nfs/dbraw/zinc/32/25/98/1084322598.db2.gz VSLMABCPUSMADI-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)c1ccc(C)o1)C(C)C ZINC001268221781 1084349600 /nfs/dbraw/zinc/34/96/00/1084349600.db2.gz DYHBTNVWGNWODN-KGLIPLIRSA-N 0 3 312.841 3.174 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cnc(C)s1)C(C)C ZINC001268223098 1084351084 /nfs/dbraw/zinc/35/10/84/1084351084.db2.gz ZTJOXJSZDGFIND-OAHLLOKOSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@H](C)c1cccc(F)c1 ZINC001268245951 1084400976 /nfs/dbraw/zinc/40/09/76/1084400976.db2.gz UTFSCOTVHGHHEA-CQSZACIVSA-N 0 3 306.425 3.489 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001185295770 1084408437 /nfs/dbraw/zinc/40/84/37/1084408437.db2.gz CNGAPXVARUMVKM-MRXNPFEDSA-N 0 3 312.413 3.480 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001481675526 1084467170 /nfs/dbraw/zinc/46/71/70/1084467170.db2.gz RHJSZONCOCFESA-IRXDYDNUSA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1F ZINC001481677796 1084472218 /nfs/dbraw/zinc/47/22/18/1084472218.db2.gz AVIBCZUJAPRLQJ-PMPSAXMXSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001481686266 1084475121 /nfs/dbraw/zinc/47/51/21/1084475121.db2.gz CWUXVRUGCCSMAJ-WMZOPIPTSA-N 0 3 316.420 3.360 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001481688991 1084479949 /nfs/dbraw/zinc/47/99/49/1084479949.db2.gz JLLXAQSGLMGEFW-INIZCTEOSA-N 0 3 306.475 3.412 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001481704439 1084494727 /nfs/dbraw/zinc/49/47/27/1084494727.db2.gz DCOOOPAIBVNGOX-QGZVFWFLSA-N 0 3 300.446 3.152 20 30 DGEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)/C=C/C(C)(C)C ZINC001268352421 1084518406 /nfs/dbraw/zinc/51/84/06/1084518406.db2.gz ZIYBQELFUXDEIY-SLZMIMFISA-N 0 3 313.445 3.145 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCNCc1cccc(F)c1Cl ZINC001268355941 1084521427 /nfs/dbraw/zinc/52/14/27/1084521427.db2.gz JAMKRQQKFYZJOY-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1cnc(Cl)s1 ZINC001268369562 1084531042 /nfs/dbraw/zinc/53/10/42/1084531042.db2.gz BXLAOOZXMDUENL-LLVKDONJSA-N 0 3 315.870 3.137 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCc2ccc(C)cc2)C1 ZINC001481740634 1084557806 /nfs/dbraw/zinc/55/78/06/1084557806.db2.gz QTEJCBOYNJIFAU-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001186041821 1084581235 /nfs/dbraw/zinc/58/12/35/1084581235.db2.gz TYNWSHAQCSFUJF-RTBURBONSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(CC(C)C)c[nH]1 ZINC001268414864 1084584260 /nfs/dbraw/zinc/58/42/60/1084584260.db2.gz MTPRHWJJVZILID-ZDUSSCGKSA-N 0 3 311.857 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2ncsc2c1 ZINC001268427272 1084590267 /nfs/dbraw/zinc/59/02/67/1084590267.db2.gz YKIRIRPTAYENDP-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)C)C1 ZINC001087442671 1084608012 /nfs/dbraw/zinc/60/80/12/1084608012.db2.gz UBZJCWHCPCVHOC-QZTJIDSGSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccsc2)C1 ZINC001481768663 1084621082 /nfs/dbraw/zinc/62/10/82/1084621082.db2.gz RAJUHJIIZPKKTP-MRXNPFEDSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001481781843 1084634901 /nfs/dbraw/zinc/63/49/01/1084634901.db2.gz IQPGGQGHLRPPTH-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2ccc(F)cc2s1 ZINC001268463663 1084656302 /nfs/dbraw/zinc/65/63/02/1084656302.db2.gz UJQYMKYLAHBQEP-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCC=C(Cl)Cl ZINC001481859342 1084671392 /nfs/dbraw/zinc/67/13/92/1084671392.db2.gz YPFIEVQRLWHYKR-NSHDSACASA-N 0 3 307.265 3.392 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(C)c2ccccc12 ZINC001268483051 1084702821 /nfs/dbraw/zinc/70/28/21/1084702821.db2.gz CBPMFMKJWYDJAH-UHFFFAOYSA-N 0 3 308.425 3.223 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@H]23)cc1F ZINC001186873101 1084712386 /nfs/dbraw/zinc/71/23/86/1084712386.db2.gz STYCKIQUYUQJQE-UKRRQHHQSA-N 0 3 318.352 3.034 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001481937602 1084718609 /nfs/dbraw/zinc/71/86/09/1084718609.db2.gz PPAJPVJWKPBNPX-INIZCTEOSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001481983407 1084745121 /nfs/dbraw/zinc/74/51/21/1084745121.db2.gz IIAMAXPZOHVODG-STQMWFEESA-N 0 3 322.827 3.249 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001187012081 1084738106 /nfs/dbraw/zinc/73/81/06/1084738106.db2.gz UDUBGBKZCXAGRM-MOPGFXCFSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001481983397 1084745484 /nfs/dbraw/zinc/74/54/84/1084745484.db2.gz IIAMAXPZOHVODG-CHWSQXEVSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001481984408 1084749092 /nfs/dbraw/zinc/74/90/92/1084749092.db2.gz PHAMLFSFJIQMMJ-LSDHHAIUSA-N 0 3 324.852 3.354 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001187208019 1084774453 /nfs/dbraw/zinc/77/44/53/1084774453.db2.gz CLWQSXVLAVYBAY-QILLFSRXSA-N 0 3 316.420 3.386 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC001482032787 1084783334 /nfs/dbraw/zinc/78/33/34/1084783334.db2.gz LCONMWPEOFMZJS-VQTJNVASSA-N 0 3 324.468 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cccc(C(C)C)c2)cc1 ZINC001482033617 1084785334 /nfs/dbraw/zinc/78/53/34/1084785334.db2.gz MARMTVQZFBIYSS-UHFFFAOYSA-N 0 3 320.436 3.463 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H](C)c2ccco2)cc1 ZINC001482034783 1084786505 /nfs/dbraw/zinc/78/65/05/1084786505.db2.gz AWMLWRHLAVFBLN-INIZCTEOSA-N 0 3 324.424 3.203 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1cccc(OC)c1 ZINC001268575497 1084832438 /nfs/dbraw/zinc/83/24/38/1084832438.db2.gz YNWKFTSUGULASZ-VOTSOKGWSA-N 0 3 316.445 3.060 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1csc(C)c1 ZINC001268575743 1084833502 /nfs/dbraw/zinc/83/35/02/1084833502.db2.gz ZVEGKWLKAOTEKT-SREVYHEPSA-N 0 3 306.475 3.421 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001268615028 1084895542 /nfs/dbraw/zinc/89/55/42/1084895542.db2.gz USFHFWAXKZUHIL-YXBWYFRISA-N 0 3 312.457 3.102 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001268638909 1084907988 /nfs/dbraw/zinc/90/79/88/1084907988.db2.gz CNFDCRSSRYYKKE-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN(CCc2ccc(C)cc2)C1 ZINC001268874259 1085072006 /nfs/dbraw/zinc/07/20/06/1085072006.db2.gz INYWORDCHIODQG-HXUWFJFHSA-N 0 3 314.473 3.188 20 30 DGEDHN C=CCC1(C(=O)NCC2CN(CC[C@@H](C)F)C2)CCCCC1 ZINC001268911338 1085079018 /nfs/dbraw/zinc/07/90/18/1085079018.db2.gz LNEAPAYKXCQPGQ-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(F)F)c1 ZINC001268966054 1085087733 /nfs/dbraw/zinc/08/77/33/1085087733.db2.gz XLYXXHVLAVBJFJ-XBFCOCLRSA-N 0 3 324.371 3.471 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1F ZINC001268965063 1085088751 /nfs/dbraw/zinc/08/87/51/1085088751.db2.gz ICPMMZWXIRFGAE-RDBSUJKOSA-N 0 3 320.383 3.218 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001269150838 1085166831 /nfs/dbraw/zinc/16/68/31/1085166831.db2.gz BJMRRSKFUGDBKK-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001269192068 1085192971 /nfs/dbraw/zinc/19/29/71/1085192971.db2.gz KYSDYYCVKQQEBN-CQSZACIVSA-N 0 3 322.474 3.307 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001269257121 1085241030 /nfs/dbraw/zinc/24/10/30/1085241030.db2.gz OHXNWCFMHWHAOU-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001269291762 1085274002 /nfs/dbraw/zinc/27/40/02/1085274002.db2.gz LZKBUQZAUBKVPJ-RTBURBONSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001269291760 1085274963 /nfs/dbraw/zinc/27/49/63/1085274963.db2.gz LZKBUQZAUBKVPJ-OALUTQOASA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCCCN1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001269291868 1085276633 /nfs/dbraw/zinc/27/66/33/1085276633.db2.gz JHSPUNPBCFHMHQ-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C[C@@H](C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001269295504 1085277571 /nfs/dbraw/zinc/27/75/71/1085277571.db2.gz FYNUAAHNNMVAGS-RBUKOAKNSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001269310889 1085293944 /nfs/dbraw/zinc/29/39/44/1085293944.db2.gz OTXWANOHSCFBAN-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001269333825 1085312568 /nfs/dbraw/zinc/31/25/68/1085312568.db2.gz YOTDXLDPVKPMJQ-KGLIPLIRSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](CCC)c1ccccc1 ZINC001269337909 1085314336 /nfs/dbraw/zinc/31/43/36/1085314336.db2.gz NGFOVGQVQPDVDG-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN CC[C@@H](CNC(=O)CC1CCCC1)NCC#Cc1ccccc1 ZINC001269366065 1085342370 /nfs/dbraw/zinc/34/23/70/1085342370.db2.gz HQYGHTPZSDOKFM-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN CC[C@@H](CNC(=O)CCC1CCC1)NCc1ccc(C#N)s1 ZINC001269383160 1085352531 /nfs/dbraw/zinc/35/25/31/1085352531.db2.gz GVTHFYHSFVBWEW-AWEZNQCLSA-N 0 3 319.474 3.184 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001269399273 1085366440 /nfs/dbraw/zinc/36/64/40/1085366440.db2.gz ZHPYEESVTSZWNY-HKUYNNGSSA-N 0 3 314.473 3.349 20 30 DGEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)C1CCCC1)C1CC1 ZINC001269596412 1085483371 /nfs/dbraw/zinc/48/33/71/1085483371.db2.gz OSJRSWUNTRUTRD-OAQYLSRUSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCCC1(C)C)C1CC1 ZINC001269629117 1085503814 /nfs/dbraw/zinc/50/38/14/1085503814.db2.gz BIZBUINKRBVOPA-PBHICJAKSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2c[nH]cc2C)CCCC[C@@H]1C ZINC001269675699 1085524979 /nfs/dbraw/zinc/52/49/79/1085524979.db2.gz BPSZNNJEAGUQSY-GUYCJALGSA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001269698556 1085535519 /nfs/dbraw/zinc/53/55/19/1085535519.db2.gz VRENXVRWNGNMCD-MRXNPFEDSA-N 0 3 316.445 3.190 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001269770420 1085560975 /nfs/dbraw/zinc/56/09/75/1085560975.db2.gz LMLXUXQCXQOIPN-GJZGRUSLSA-N 0 3 310.869 3.147 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001101252118 1085579902 /nfs/dbraw/zinc/57/99/02/1085579902.db2.gz BRRHBHHMMYKMJM-VKJFTORMSA-N 0 3 310.457 3.117 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2c(F)cccc2F)C[C@@H]1C ZINC001269918374 1085614615 /nfs/dbraw/zinc/61/46/15/1085614615.db2.gz VFNWJJJEUNZZMP-UONOGXRCSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ocnc2C)C[C@@H]1C ZINC001269938592 1085621894 /nfs/dbraw/zinc/62/18/94/1085621894.db2.gz VAQUCWZUEWXFQD-DZGCQCFKSA-N 0 3 319.449 3.054 20 30 DGEDHN CC(C)CCC(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001482256150 1085641003 /nfs/dbraw/zinc/64/10/03/1085641003.db2.gz ZVDDEMPITADOPU-CQSZACIVSA-N 0 3 319.424 3.070 20 30 DGEDHN CC[C@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001482256892 1085643789 /nfs/dbraw/zinc/64/37/89/1085643789.db2.gz DAKHMVJIMFOSOE-GJZGRUSLSA-N 0 3 320.864 3.174 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001270034813 1085662858 /nfs/dbraw/zinc/66/28/58/1085662858.db2.gz RSCVBRUPDBWVIE-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001270034811 1085663035 /nfs/dbraw/zinc/66/30/35/1085663035.db2.gz RSCVBRUPDBWVIE-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001270058888 1085674186 /nfs/dbraw/zinc/67/41/86/1085674186.db2.gz OIGVOTADJBIMOT-QGZVFWFLSA-N 0 3 322.399 3.402 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc(C)cc(F)c2)cc1 ZINC001270075850 1085679451 /nfs/dbraw/zinc/67/94/51/1085679451.db2.gz LGYDHZBEBGYYIS-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN CCCC(=O)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC001270088600 1085685418 /nfs/dbraw/zinc/68/54/18/1085685418.db2.gz OIKXZOUOYIBPQV-UHFFFAOYSA-N 0 3 312.457 3.057 20 30 DGEDHN C#CCN(C(=O)C1CC1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001270279381 1085758983 /nfs/dbraw/zinc/75/89/83/1085758983.db2.gz JSRIWBBEYBPYFM-TWGQIWQCSA-N 0 3 322.452 3.036 20 30 DGEDHN CCCCC(=O)N1CC[C@](C)(CNCc2ccccc2C#N)C1 ZINC001270679436 1085943147 /nfs/dbraw/zinc/94/31/47/1085943147.db2.gz CZGIGQZYTFWILB-LJQANCHMSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001482321681 1085962213 /nfs/dbraw/zinc/96/22/13/1085962213.db2.gz OZFQFLVHKWWNRC-KGLIPLIRSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2C(C)(C)C2(C)C)CCCC1 ZINC001270727832 1085968807 /nfs/dbraw/zinc/96/88/07/1085968807.db2.gz NLEDDXJXMNUFAT-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)nc(C)c2)CCCC1 ZINC001270749439 1085977263 /nfs/dbraw/zinc/97/72/63/1085977263.db2.gz OHHYKYUHKJAUKE-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)cc(C)n2)CCCC1 ZINC001270764247 1085983970 /nfs/dbraw/zinc/98/39/70/1085983970.db2.gz WBVCIOGLLIHEQJ-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN N#Cc1ccc2cc(N(C(=N)N)c3ccc(F)cc3)ccc2n1 ZINC001167994930 1086059587 /nfs/dbraw/zinc/05/95/87/1086059587.db2.gz UIGQPUZTTNGZHU-UHFFFAOYSA-N 0 3 305.316 3.277 20 30 DGEDHN C=Cc1ccc(C(=O)NC[C@@]2(C)CCCN(CC#CC)C2)cc1 ZINC001270990747 1086235874 /nfs/dbraw/zinc/23/58/74/1086235874.db2.gz FBUDPBFXTXKBDM-HXUWFJFHSA-N 0 3 310.441 3.185 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001271075354 1086275166 /nfs/dbraw/zinc/27/51/66/1086275166.db2.gz MJJADUUMNXPDJB-LSDHHAIUSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)cc3ccoc32)[C@H]1CC ZINC001087632626 1086334055 /nfs/dbraw/zinc/33/40/55/1086334055.db2.gz NLYJBKPIEUXSBE-JKSUJKDBSA-N 0 3 316.376 3.341 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cccnc32)[C@H]1CC ZINC001087644305 1086336581 /nfs/dbraw/zinc/33/65/81/1086336581.db2.gz NLVWAEJLQKVRDN-DLBZAZTESA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)[C@H]1CC ZINC001087658375 1086342626 /nfs/dbraw/zinc/34/26/26/1086342626.db2.gz ADLHTZUHCWMGKO-UHOFOFEASA-N 0 3 322.399 3.223 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@H]1CC ZINC001087710005 1086372225 /nfs/dbraw/zinc/37/22/25/1086372225.db2.gz CNPWNOMTBKKXOI-UONOGXRCSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)[C@H]1CC ZINC001087711530 1086378486 /nfs/dbraw/zinc/37/84/86/1086378486.db2.gz JWROGHZBRPBUOD-JKSUJKDBSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)[C@H]1CC ZINC001087755232 1086399568 /nfs/dbraw/zinc/39/95/68/1086399568.db2.gz BKNWTFSTGOWQSJ-LVQVYYBASA-N 0 3 318.486 3.315 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)[C@H]1CC ZINC001087768705 1086402828 /nfs/dbraw/zinc/40/28/28/1086402828.db2.gz PTNQPZPCHBBCEF-YSIASYRMSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@H]1CC ZINC001087796180 1086412807 /nfs/dbraw/zinc/41/28/07/1086412807.db2.gz NVRYMZGUHMQPLM-QLFBSQMISA-N 0 3 306.475 3.315 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2oc3ccccc3c2C)[C@H]1CC ZINC001087819697 1086427623 /nfs/dbraw/zinc/42/76/23/1086427623.db2.gz MADYOJFOMBWEAB-DLBZAZTESA-N 0 3 324.424 3.347 20 30 DGEDHN CN(Cc1cc(Br)ccc1C#N)CC1CCOCC1 ZINC001141893815 1086510540 /nfs/dbraw/zinc/51/05/40/1086510540.db2.gz BDUGBWJSBZXAPH-UHFFFAOYSA-N 0 3 323.234 3.179 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)CCC3CCCCCC3)C[C@@H]2C1 ZINC001088043882 1086533986 /nfs/dbraw/zinc/53/39/86/1086533986.db2.gz QAANILHPBJOYEW-MOPGFXCFSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC3CCCCC3)C[C@@H]2C1 ZINC001088127167 1086616847 /nfs/dbraw/zinc/61/68/47/1086616847.db2.gz PNAYVFXTQFCSHV-UHOSZYNNSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)C3CCCCC3)C[C@@H]2C1 ZINC001088138073 1086621435 /nfs/dbraw/zinc/62/14/35/1086621435.db2.gz RTDDKECHNDMNNH-UHOSZYNNSA-N 0 3 316.489 3.006 20 30 DGEDHN CCc1ccccc1[C@H](CNC(=O)C#CC1CC1)NCC=C(C)C ZINC001271447730 1086640371 /nfs/dbraw/zinc/64/03/71/1086640371.db2.gz RLUHIVVBTCANSR-FQEVSTJZSA-N 0 3 324.468 3.376 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)NCc2cscn2)C1 ZINC001271492285 1086668788 /nfs/dbraw/zinc/66/87/88/1086668788.db2.gz YMZCVBXMDOUBRQ-ZIAGYGMSSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNCc1nc(C)cs1 ZINC001271493641 1086669025 /nfs/dbraw/zinc/66/90/25/1086669025.db2.gz BYFZWDDCWSIJHJ-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccccc2)C1 ZINC001088253386 1086722906 /nfs/dbraw/zinc/72/29/06/1086722906.db2.gz PPHYBYXFUDGQRE-MRXNPFEDSA-N 0 3 306.837 3.414 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001088260701 1086735399 /nfs/dbraw/zinc/73/53/99/1086735399.db2.gz LWPBQTGGYSWOIU-HZPDHXFCSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2[nH]ccc2C)C1 ZINC001088306477 1086780614 /nfs/dbraw/zinc/78/06/14/1086780614.db2.gz XUVJJPUAUCMASC-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001088307468 1086782378 /nfs/dbraw/zinc/78/23/78/1086782378.db2.gz WTZSTOWXXMMVJP-AVGNSLFASA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccncc2C)C1 ZINC001088310188 1086784001 /nfs/dbraw/zinc/78/40/01/1086784001.db2.gz QGFFYCHMBIXAKH-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001271830505 1086785587 /nfs/dbraw/zinc/78/55/87/1086785587.db2.gz SHNILXUOEBXKQI-IEBWSBKVSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1cncc(F)c1)C(C)C ZINC001271879362 1086804270 /nfs/dbraw/zinc/80/42/70/1086804270.db2.gz ZTMGIDQCHNRGNZ-INIZCTEOSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccccc1CC)C(C)C ZINC001271883496 1086806095 /nfs/dbraw/zinc/80/60/95/1086806095.db2.gz BJYANDOODUUEIB-MRXNPFEDSA-N 0 3 308.853 3.346 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC001088335874 1086817175 /nfs/dbraw/zinc/81/71/75/1086817175.db2.gz PFDODIRIKUBNFS-OAHLLOKOSA-N 0 3 323.868 3.358 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1ccc(F)cn1)C(C)C ZINC001271908991 1086828405 /nfs/dbraw/zinc/82/84/05/1086828405.db2.gz VOQZHIFTCOZHFX-INIZCTEOSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1ccccc1)C(C)C ZINC001271923362 1086839862 /nfs/dbraw/zinc/83/98/62/1086839862.db2.gz UNEHHCHLVQMRGQ-MRXNPFEDSA-N 0 3 308.853 3.102 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)c(C)s1)C(C)C ZINC001271930223 1086842386 /nfs/dbraw/zinc/84/23/86/1086842386.db2.gz MBOLFCKBKRXSHZ-CYBMUJFWSA-N 0 3 314.882 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1cc(F)ccc1F)C(C)C ZINC001482546337 1086844546 /nfs/dbraw/zinc/84/45/46/1086844546.db2.gz BHFBNGYIFFIFCE-INIZCTEOSA-N 0 3 324.415 3.407 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001088390348 1086904023 /nfs/dbraw/zinc/90/40/23/1086904023.db2.gz LTFMWNOZBIWXFS-GJZGRUSLSA-N 0 3 310.869 3.290 20 30 DGEDHN C=CC1(CC(=O)NCCCNCc2cnc(C)o2)CCCCC1 ZINC001168182795 1087029052 /nfs/dbraw/zinc/02/90/52/1087029052.db2.gz MUDWPEDTFHZUBL-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C)[C@@H](C)C1 ZINC001168202099 1087051913 /nfs/dbraw/zinc/05/19/13/1087051913.db2.gz QSKAZFDTEMOBQB-ASLPWWTFSA-N 0 3 319.493 3.284 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)[C@H]1C ZINC001088564067 1087066251 /nfs/dbraw/zinc/06/62/51/1087066251.db2.gz VGMMLOJCWMGUAA-FPCVCCKLSA-N 0 3 318.486 3.315 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](NC(=N)c1ccc3ccccc3n1)C2 ZINC001168242072 1087068408 /nfs/dbraw/zinc/06/84/08/1087068408.db2.gz VMRNFLHNKGVJCV-INIZCTEOSA-N 0 3 317.392 3.116 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1cc(C)ccc1C ZINC001482619298 1087087165 /nfs/dbraw/zinc/08/71/65/1087087165.db2.gz QWFFEWBCRKSIIH-UHFFFAOYSA-N 0 3 302.462 3.406 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(CCC)s2)[C@H]1C ZINC001088596294 1087121795 /nfs/dbraw/zinc/12/17/95/1087121795.db2.gz RSHCZMOVIQGKLZ-HIFRSBDPSA-N 0 3 306.475 3.469 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cc(C)cc(C)c1 ZINC001482869186 1087177482 /nfs/dbraw/zinc/17/74/82/1087177482.db2.gz VPVVMOCYCGBAQK-HNNXBMFYSA-N 0 3 308.853 3.083 20 30 DGEDHN C=C[C@@H](C(=O)N[C@H](C)CCNCC(=C)Cl)c1ccccc1 ZINC001482902983 1087184894 /nfs/dbraw/zinc/18/48/94/1087184894.db2.gz VWQZPVVKVSGPGM-GDBMZVCRSA-N 0 3 306.837 3.193 20 30 DGEDHN C[C@@]1(C(=O)NC/C=C\CNCc2cccc(C#N)c2)CC=CCC1 ZINC001483012668 1087234662 /nfs/dbraw/zinc/23/46/62/1087234662.db2.gz PQXQPLORTAGAJN-KKHYBRAUSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001483013176 1087234723 /nfs/dbraw/zinc/23/47/23/1087234723.db2.gz URELOBAMWBHWCQ-FPLPWBNLSA-N 0 3 315.461 3.063 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2C(C)(C)C)[C@H]1C ZINC001088647426 1087243800 /nfs/dbraw/zinc/24/38/00/1087243800.db2.gz QCPXFUDOXQEREH-QAPCUYQASA-N 0 3 312.457 3.200 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CC(=C)C)[C@@H]1C ZINC001088671876 1087250731 /nfs/dbraw/zinc/25/07/31/1087250731.db2.gz AGFGNFFTCGAYJS-WBVHZDCISA-N 0 3 314.429 3.020 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001101011169 1087305128 /nfs/dbraw/zinc/30/51/28/1087305128.db2.gz RIXQPHRSSZYDFJ-IGEOTXOUSA-N 0 3 320.864 3.102 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H]1C ZINC001088774872 1087348312 /nfs/dbraw/zinc/34/83/12/1087348312.db2.gz OCSZLNWVYDXVBS-PBHICJAKSA-N 0 3 313.445 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)[C@H]1C ZINC001088783269 1087352752 /nfs/dbraw/zinc/35/27/52/1087352752.db2.gz KYZIQVQYEOGEPM-PBHICJAKSA-N 0 3 312.413 3.130 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483168268 1087409801 /nfs/dbraw/zinc/40/98/01/1087409801.db2.gz AKVKMYIZNKMPBJ-CYBMUJFWSA-N 0 3 307.463 3.040 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483425383 1087498566 /nfs/dbraw/zinc/49/85/66/1087498566.db2.gz ZBORZQPYQFKDQQ-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCCN2CCF)C1 ZINC001120429978 1087578775 /nfs/dbraw/zinc/57/87/75/1087578775.db2.gz FSAFAMQEVADKMO-HZPDHXFCSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3occc3s2)[C@H]1C ZINC001088855099 1087582151 /nfs/dbraw/zinc/58/21/51/1087582151.db2.gz QGXDSRXPFPXBBX-NEPJUHHUSA-N 0 3 304.415 3.263 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(Cl)c2F)C1 ZINC001099006197 1087582790 /nfs/dbraw/zinc/58/27/90/1087582790.db2.gz IJOGWRCBFWSOTQ-SJCJKPOMSA-N 0 3 322.811 3.249 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001483630227 1087584928 /nfs/dbraw/zinc/58/49/28/1087584928.db2.gz VACLGUHFOQLTTM-AWEZNQCLSA-N 0 3 309.841 3.219 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2C)[C@H]1C ZINC001088864493 1087585893 /nfs/dbraw/zinc/58/58/93/1087585893.db2.gz NTPNAIXXWDNTSA-QAPCUYQASA-N 0 3 315.461 3.282 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483642760 1087597471 /nfs/dbraw/zinc/59/74/71/1087597471.db2.gz NQLQCSPENDAENJ-ROUUACIJSA-N 0 3 312.457 3.440 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)[C@H]1C ZINC001088900986 1087600758 /nfs/dbraw/zinc/60/07/58/1087600758.db2.gz OHMILNVKFXKLTN-DOMZBBRYSA-N 0 3 322.836 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)[C@H]1C ZINC001088934480 1087606814 /nfs/dbraw/zinc/60/68/14/1087606814.db2.gz FGWRSKIUTWKNAE-QAPCUYQASA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001483666535 1087614187 /nfs/dbraw/zinc/61/41/87/1087614187.db2.gz SZPVTWWVXIZILY-IBGZPJMESA-N 0 3 323.440 3.248 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1C ZINC001088989321 1087615777 /nfs/dbraw/zinc/61/57/77/1087615777.db2.gz OSZQDLRFVDMOLS-JZXOWHBKSA-N 0 3 300.446 3.254 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H]1C ZINC001088998900 1087617897 /nfs/dbraw/zinc/61/78/97/1087617897.db2.gz VNRBALVMOSQJMR-ZBFHGGJFSA-N 0 3 309.413 3.004 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2Cl)[C@H]1C ZINC001089008387 1087620906 /nfs/dbraw/zinc/62/09/06/1087620906.db2.gz HQQXWCKVKGZHCE-WBMJQRKESA-N 0 3 322.811 3.003 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1c(C)cc(C)cc1C ZINC001483676124 1087632637 /nfs/dbraw/zinc/63/26/37/1087632637.db2.gz ICWOTYJLJYAZPM-SFHVURJKSA-N 0 3 314.473 3.311 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)(F)F ZINC001099126578 1087661815 /nfs/dbraw/zinc/66/18/15/1087661815.db2.gz VECREPDQVWZFCF-ZDUSSCGKSA-N 0 3 302.409 3.215 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H]1CCN1CCC(C)C)c1ccccc1 ZINC001483704125 1087679636 /nfs/dbraw/zinc/67/96/36/1087679636.db2.gz FPBYUYXGSIUMOZ-QZTJIDSGSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001483705626 1087682401 /nfs/dbraw/zinc/68/24/01/1087682401.db2.gz ITGBFUUHMVXFOZ-MNNVXMFVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCc1ccc(C)s1 ZINC001483705595 1087682442 /nfs/dbraw/zinc/68/24/42/1087682442.db2.gz CHFAKJBAXJHLCA-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)SC ZINC001233771474 1087696592 /nfs/dbraw/zinc/69/65/92/1087696592.db2.gz RILIITYQIXVIIC-HOTGVXAUSA-N 0 3 312.523 3.407 20 30 DGEDHN CCCCCCCN1CCC[C@@]12CCN([C@H](C)C(C)=O)C2=O ZINC001272476362 1087719013 /nfs/dbraw/zinc/71/90/13/1087719013.db2.gz LSSGGISGWLFPFV-QAPCUYQASA-N 0 3 308.466 3.001 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCC(F)(F)C1 ZINC001158460987 1087844364 /nfs/dbraw/zinc/84/43/64/1087844364.db2.gz GSWBGVOQEIUYMP-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(CC)cc1 ZINC001158540306 1087901494 /nfs/dbraw/zinc/90/14/94/1087901494.db2.gz GFLNDUKVPRRPBH-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2ccccn2c1 ZINC001158550044 1087907107 /nfs/dbraw/zinc/90/71/07/1087907107.db2.gz RXOJZOUYKSBQSW-GOSISDBHSA-N 0 3 311.429 3.052 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCC1CC1 ZINC001152488164 1087989447 /nfs/dbraw/zinc/98/94/47/1087989447.db2.gz ADZBWFHUEIWBJR-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC ZINC001099208291 1087995945 /nfs/dbraw/zinc/99/59/45/1087995945.db2.gz QCVCHQOTYAOHOB-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001158746729 1088005434 /nfs/dbraw/zinc/00/54/34/1088005434.db2.gz FGTVGADODUQMAG-UHFFFAOYSA-N 0 3 322.399 3.329 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1ccccc1 ZINC001158768286 1088019469 /nfs/dbraw/zinc/01/94/69/1088019469.db2.gz RGQFCTPONDKKPQ-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 ZINC001158829837 1088058581 /nfs/dbraw/zinc/05/85/81/1088058581.db2.gz JDNNVYLVMBJYSV-MRXNPFEDSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2c1CCC2 ZINC001158935785 1088107867 /nfs/dbraw/zinc/10/78/67/1088107867.db2.gz CQZDJTLJJZOAOC-QGZVFWFLSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106527634 1088169554 /nfs/dbraw/zinc/16/95/54/1088169554.db2.gz YAWDEKWSCJWFKG-LMEWBDQLSA-N 0 3 319.276 3.202 20 30 DGEDHN C[C@H]1CCCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001153253475 1088202535 /nfs/dbraw/zinc/20/25/35/1088202535.db2.gz LPSGLTZLAFFLCS-UONOGXRCSA-N 0 3 319.474 3.042 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)=C2CCCC2)C[C@H]1C(F)(F)F ZINC001099235446 1088225424 /nfs/dbraw/zinc/22/54/24/1088225424.db2.gz DQKKWKOFXYTWQB-ZIAGYGMSSA-N 0 3 316.367 3.042 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC2=CCCCC2)CC(C)(C)C1 ZINC001089341667 1088299608 /nfs/dbraw/zinc/29/96/08/1088299608.db2.gz NVWPESRFDQTRFR-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1C(C)C ZINC001153738925 1088342710 /nfs/dbraw/zinc/34/27/10/1088342710.db2.gz OBIJTWYIYBDNFO-MRXNPFEDSA-N 0 3 300.446 3.274 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc(C)cc3C)CC2)C1=O ZINC001272639033 1088370964 /nfs/dbraw/zinc/37/09/64/1088370964.db2.gz KXMWTXJTNPXYMK-UHFFFAOYSA-N 0 3 312.457 3.304 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)sc1Cl ZINC001153828195 1088377779 /nfs/dbraw/zinc/37/77/79/1088377779.db2.gz IGFREYWIZDLESX-SECBINFHSA-N 0 3 319.257 3.128 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CC2=CCCCC2)CC1 ZINC001159569716 1088397919 /nfs/dbraw/zinc/39/79/19/1088397919.db2.gz MWKUTFNFFBOLJK-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001153990659 1088429032 /nfs/dbraw/zinc/42/90/32/1088429032.db2.gz NSLSBUQTSKGGGA-OAHLLOKOSA-N 0 3 320.864 3.041 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(C)cc1Cl ZINC001154062276 1088458489 /nfs/dbraw/zinc/45/84/89/1088458489.db2.gz HJNQEPVLEQOTMD-OAHLLOKOSA-N 0 3 320.864 3.041 20 30 DGEDHN C/C=C(/C)C(=O)NCCC1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC001159760274 1088474972 /nfs/dbraw/zinc/47/49/72/1088474972.db2.gz NEWUFQHFBRJTMV-XFQLMFQHSA-N 0 3 323.440 3.163 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2ccccc2s1 ZINC001154197846 1088507313 /nfs/dbraw/zinc/50/73/13/1088507313.db2.gz DHOMBTBXHRMCTG-CQSZACIVSA-N 0 3 314.454 3.365 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC001154215916 1088520651 /nfs/dbraw/zinc/52/06/51/1088520651.db2.gz MAIMNAHGDFHTRG-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001483763979 1088640957 /nfs/dbraw/zinc/64/09/57/1088640957.db2.gz BKOWGSZXYMQKIS-UHFFFAOYSA-N 0 3 306.475 3.460 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001160120520 1088648773 /nfs/dbraw/zinc/64/87/73/1088648773.db2.gz NIEZAOSMNIMUIL-ZBFHGGJFSA-N 0 3 314.429 3.341 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2CC)CC(C)(C)C1 ZINC001089472647 1088661287 /nfs/dbraw/zinc/66/12/87/1088661287.db2.gz LWXFVJGJQPVQBJ-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001160242373 1088716469 /nfs/dbraw/zinc/71/64/69/1088716469.db2.gz OUGFMUDAONVNAU-IBGZPJMESA-N 0 3 314.473 3.285 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001154719537 1088728972 /nfs/dbraw/zinc/72/89/72/1088728972.db2.gz GAHAPDPUZGRVMG-MRXNPFEDSA-N 0 3 318.436 3.346 20 30 DGEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1Nc1ccc(CN)nc1 ZINC001160397245 1088782908 /nfs/dbraw/zinc/78/29/08/1088782908.db2.gz SMNCPMKKIMTNTA-UHFFFAOYSA-N 0 3 319.343 3.357 20 30 DGEDHN Cc1cnc(Nc2ccc(CN)nc2)c(C#C[Si](C)(C)C)c1 ZINC001160402345 1088790725 /nfs/dbraw/zinc/79/07/25/1088790725.db2.gz PUYVDKSLBBJIQS-UHFFFAOYSA-N 0 3 310.477 3.216 20 30 DGEDHN C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001089610271 1088818635 /nfs/dbraw/zinc/81/86/35/1088818635.db2.gz RBOLLEHITOOODK-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001089610271 1088818652 /nfs/dbraw/zinc/81/86/52/1088818652.db2.gz RBOLLEHITOOODK-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@@H](CC)CCCC ZINC001154917875 1088826124 /nfs/dbraw/zinc/82/61/24/1088826124.db2.gz YWHLFTMAQHLRFA-ZDUSSCGKSA-N 0 3 319.287 3.207 20 30 DGEDHN CCCC[C@H](CC)C(=O)NCCCNCc1ccccc1C#N ZINC001154917472 1088826513 /nfs/dbraw/zinc/82/65/13/1088826513.db2.gz VQHMZZUBCDAYIW-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(C(F)(F)F)CCC2)CC1 ZINC001160499321 1088838622 /nfs/dbraw/zinc/83/86/22/1088838622.db2.gz BGUXUBLCZAWMJB-UHFFFAOYSA-N 0 3 316.367 3.043 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001089625933 1088846011 /nfs/dbraw/zinc/84/60/11/1088846011.db2.gz VYGGEJAVTMQOMO-OAHLLOKOSA-N 0 3 303.450 3.120 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001089631076 1088853461 /nfs/dbraw/zinc/85/34/61/1088853461.db2.gz GUCCWKNWHJWQCH-ZDUSSCGKSA-N 0 3 322.836 3.177 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]c2c1cccc2Cl ZINC001154983127 1088870784 /nfs/dbraw/zinc/87/07/84/1088870784.db2.gz COMDSIMLTBNGGA-LBPRGKRZSA-N 0 3 317.820 3.202 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c(Cl)c1 ZINC001154987365 1088877215 /nfs/dbraw/zinc/87/72/15/1088877215.db2.gz PRAVEWTVCIUQBD-CQSZACIVSA-N 0 3 306.837 3.112 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001483816418 1088928194 /nfs/dbraw/zinc/92/81/94/1088928194.db2.gz ZFDGGDPMJXZNRX-MRXNPFEDSA-N 0 3 324.896 3.488 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C(C)(C)c2cccs2)CC1 ZINC001160860528 1088993001 /nfs/dbraw/zinc/99/30/01/1088993001.db2.gz JZMMVEQIHBFOJE-UHFFFAOYSA-N 0 3 318.486 3.350 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1csc2ncnc(Cl)c12 ZINC001160953152 1089038392 /nfs/dbraw/zinc/03/83/92/1089038392.db2.gz TYFJOZUMVPESMX-JTQLQIEISA-N 0 3 308.838 3.407 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2cccc(F)c2)nn1 ZINC001160957023 1089042082 /nfs/dbraw/zinc/04/20/82/1089042082.db2.gz BMNZQLDFUMKTQI-INIZCTEOSA-N 0 3 312.392 3.345 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@H](C)C1)C1CCN(CC=C(C)C)CC1 ZINC001483987845 1089071572 /nfs/dbraw/zinc/07/15/72/1089071572.db2.gz GMCZMTOYOPFWGJ-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001089668158 1089075304 /nfs/dbraw/zinc/07/53/04/1089075304.db2.gz RHMVVZLIYSEFRZ-CQSZACIVSA-N 0 3 323.868 3.085 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNC[C@@H](F)CC)C2CCCC2)C1 ZINC001484009131 1089093413 /nfs/dbraw/zinc/09/34/13/1089093413.db2.gz KQXBWSLAIJTXRG-HOTGVXAUSA-N 0 3 310.457 3.355 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001161084606 1089108751 /nfs/dbraw/zinc/10/87/51/1089108751.db2.gz QEJDMKUYJCLVPT-UHFFFAOYSA-N 0 3 312.457 3.170 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCCc2ccccc2)CC1 ZINC001161084570 1089110138 /nfs/dbraw/zinc/11/01/38/1089110138.db2.gz POYNQRAYOUHDOB-UHFFFAOYSA-N 0 3 312.457 3.334 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001155469264 1089125968 /nfs/dbraw/zinc/12/59/68/1089125968.db2.gz HACZQRZKJBOGCU-BRWVUGGUSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)c2ccsc2)CC1 ZINC001161208034 1089156050 /nfs/dbraw/zinc/15/60/50/1089156050.db2.gz YNNRQCXUKNGLAZ-OAHLLOKOSA-N 0 3 316.470 3.013 20 30 DGEDHN C=CCN(C(=O)C[C@@H]1Cc2ccccc2CN1)C1CCCCC1 ZINC001161248243 1089168155 /nfs/dbraw/zinc/16/81/55/1089168155.db2.gz WFPLIBRROFWHFL-SFHVURJKSA-N 0 3 312.457 3.438 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001089693841 1089201133 /nfs/dbraw/zinc/20/11/33/1089201133.db2.gz PRFHZZBGTGPNIM-MBOZVWFJSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC001484143692 1089220969 /nfs/dbraw/zinc/22/09/69/1089220969.db2.gz WFHGONQCEFGWSO-IRXDYDNUSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C(C)(C)C2CCCCC2)CC1 ZINC001484143709 1089221766 /nfs/dbraw/zinc/22/17/66/1089221766.db2.gz OPDWZNOOLDDATL-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2csc(Cl)c2)CC1 ZINC001161392003 1089226673 /nfs/dbraw/zinc/22/66/73/1089226673.db2.gz ZYLSHQJRKOXOSK-UHFFFAOYSA-N 0 3 310.850 3.340 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001161417102 1089232160 /nfs/dbraw/zinc/23/21/60/1089232160.db2.gz CTBNNHCYHCDACC-HNNXBMFYSA-N 0 3 302.418 3.016 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001484158552 1089248783 /nfs/dbraw/zinc/24/87/83/1089248783.db2.gz DSSCQBICLBYBME-FUHWJXTLSA-N 0 3 304.478 3.361 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001161622005 1089317519 /nfs/dbraw/zinc/31/75/19/1089317519.db2.gz HUINYXMYGJTSEJ-PKOBYXMFSA-N 0 3 304.478 3.383 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccoc1C)c1ccccc1CC ZINC001484322585 1089332463 /nfs/dbraw/zinc/33/24/63/1089332463.db2.gz ALEJDPKTVCFJTP-SFHVURJKSA-N 0 3 312.413 3.397 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)C(C)(F)F)c1ccccc1CC ZINC001484322362 1089332745 /nfs/dbraw/zinc/33/27/45/1089332745.db2.gz DMBDGGHBRGOSEF-CJNGLKHVSA-N 0 3 324.415 3.473 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1CC ZINC001484322774 1089333226 /nfs/dbraw/zinc/33/32/26/1089333226.db2.gz HUTYNLJKIISGKA-QFBILLFUSA-N 0 3 314.473 3.311 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(C)(C)C ZINC001089766313 1089344653 /nfs/dbraw/zinc/34/46/53/1089344653.db2.gz MRZIXHOOURAFCR-FZKCQIBNSA-N 0 3 324.896 3.344 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001161729217 1089373546 /nfs/dbraw/zinc/37/35/46/1089373546.db2.gz OSGRYOZTILDWAZ-KRWDZBQOSA-N 0 3 312.457 3.423 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccccc2Cl)CC1 ZINC001161763659 1089388275 /nfs/dbraw/zinc/38/82/75/1089388275.db2.gz YVWMZYHJASOJAV-UHFFFAOYSA-N 0 3 304.821 3.278 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)CC ZINC001484400453 1089404118 /nfs/dbraw/zinc/40/41/18/1089404118.db2.gz VIKLCCKJSUMOQG-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001484404806 1089407053 /nfs/dbraw/zinc/40/70/53/1089407053.db2.gz NWXYOVYYIQPAKX-IYBDPMFKSA-N 0 3 318.848 3.196 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cc3ccccc3o2)CC1 ZINC001161818418 1089422947 /nfs/dbraw/zinc/42/29/47/1089422947.db2.gz WMNIVIBMVIHIFD-UHFFFAOYSA-N 0 3 322.408 3.208 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(F)ccc2C)C1 ZINC001484532469 1089468276 /nfs/dbraw/zinc/46/82/76/1089468276.db2.gz OVLHYBZOAVFQMJ-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001484546366 1089482672 /nfs/dbraw/zinc/48/26/72/1089482672.db2.gz GLYFXTSMXFIDNI-GJZGRUSLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001484546368 1089483121 /nfs/dbraw/zinc/48/31/21/1089483121.db2.gz GLYFXTSMXFIDNI-LSDHHAIUSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1c[nH]cc1C1CC1 ZINC001484557123 1089490863 /nfs/dbraw/zinc/49/08/63/1089490863.db2.gz DVMAEMVMDZMFGH-UHFFFAOYSA-N 0 3 323.440 3.440 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)Cc2ccccc2)cc1 ZINC001484559985 1089495542 /nfs/dbraw/zinc/49/55/42/1089495542.db2.gz WLRPYWCLTHRZPQ-QGZVFWFLSA-N 0 3 320.436 3.219 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2(C)CC(F)(F)C2)cc1 ZINC001484562794 1089506127 /nfs/dbraw/zinc/50/61/27/1089506127.db2.gz GPIHCOXMHKCLFR-ZDUSSCGKSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001161986913 1089512163 /nfs/dbraw/zinc/51/21/63/1089512163.db2.gz NICBHEUOOFPZBI-IEBWSBKVSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001161986912 1089512574 /nfs/dbraw/zinc/51/25/74/1089512574.db2.gz NICBHEUOOFPZBI-HKUYNNGSSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CC)C2CCC(C)CC2)CCC1 ZINC001484636557 1089551557 /nfs/dbraw/zinc/55/15/57/1089551557.db2.gz FWCUTDMMZCQOHK-ABHNRTSZSA-N 0 3 318.505 3.491 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2ccccc2c1 ZINC001156573856 1089591328 /nfs/dbraw/zinc/59/13/28/1089591328.db2.gz RUEBCDJOGBLOJG-MRXNPFEDSA-N 0 3 308.425 3.303 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001484714594 1089604713 /nfs/dbraw/zinc/60/47/13/1089604713.db2.gz DLFNQZKYXLGINB-BCTQVIJGSA-N 0 3 310.869 3.478 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)ccc1Cl ZINC001156602346 1089606548 /nfs/dbraw/zinc/60/65/48/1089606548.db2.gz ZDBKLGYBDLIASO-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1coc2ccc(Cl)cc12 ZINC001156647173 1089622254 /nfs/dbraw/zinc/62/22/54/1089622254.db2.gz AUXXKZLFRAKPOV-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1oc2ccc(F)cc2c1C ZINC001156668417 1089633031 /nfs/dbraw/zinc/63/30/31/1089633031.db2.gz QAHPYXQNSPHTJZ-UHFFFAOYSA-N 0 3 318.392 3.460 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001156672017 1089635373 /nfs/dbraw/zinc/63/53/73/1089635373.db2.gz BRNOYSRNMBEEAD-RBUKOAKNSA-N 0 3 314.473 3.373 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001484756601 1089665504 /nfs/dbraw/zinc/66/55/04/1089665504.db2.gz ANAYIMYKLSZEGD-LJQANCHMSA-N 0 3 317.477 3.273 20 30 DGEDHN Cc1nc(N(C)C)cc(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001156761005 1089683417 /nfs/dbraw/zinc/68/34/17/1089683417.db2.gz SQWNTKGAQRXOHW-UHFFFAOYSA-N 0 3 321.428 3.107 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c(CC)s1 ZINC001156787923 1089696870 /nfs/dbraw/zinc/69/68/70/1089696870.db2.gz SHTKZJVMGDEMCS-CQSZACIVSA-N 0 3 306.475 3.082 20 30 DGEDHN Cc1nc(Cl)nc(NCCP(C(C)C)C(C)C)c1C#N ZINC001162361845 1089698978 /nfs/dbraw/zinc/69/89/78/1089698978.db2.gz HKUZOKNVXRIHPR-UHFFFAOYSA-N 0 3 312.785 3.443 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC#CC)[C@H](C)C2)CCCC1 ZINC001484987938 1089808804 /nfs/dbraw/zinc/80/88/04/1089808804.db2.gz MBVAPICOFNCLMA-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccn(C(C)C)c1C ZINC001484997223 1089816171 /nfs/dbraw/zinc/81/61/71/1089816171.db2.gz LNYDDTNDLVZQHC-ZDUSSCGKSA-N 0 3 311.857 3.228 20 30 DGEDHN CC(C)=C(C)CC(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001484997024 1089817389 /nfs/dbraw/zinc/81/73/89/1089817389.db2.gz NDHUSPBHCUCOCO-INIZCTEOSA-N 0 3 313.445 3.289 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)CCCC ZINC001485044288 1089861647 /nfs/dbraw/zinc/86/16/47/1089861647.db2.gz WQRDBYXIUCCOQH-ATZDWAIDSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCCc1ccc(C)cc1 ZINC001157223784 1089878049 /nfs/dbraw/zinc/87/80/49/1089878049.db2.gz IDGZDCUBTQTPLI-GOSISDBHSA-N 0 3 314.473 3.168 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)C/C=C\c1ccccc1 ZINC001485053673 1089893965 /nfs/dbraw/zinc/89/39/65/1089893965.db2.gz AQTXIBOMFYQRBR-DRHVUCGNSA-N 0 3 324.468 3.426 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1scc(C)c1Cl ZINC001485059016 1089912044 /nfs/dbraw/zinc/91/20/44/1089912044.db2.gz YPNKSTCSCPITAV-LBPRGKRZSA-N 0 3 312.866 3.432 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccc(C)cc1C ZINC001485061302 1089913486 /nfs/dbraw/zinc/91/34/86/1089913486.db2.gz RUTQDZOLDRQCLS-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC001157363971 1089924781 /nfs/dbraw/zinc/92/47/81/1089924781.db2.gz BHIRMUZTMKEKKJ-OAHLLOKOSA-N 0 3 320.502 3.229 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ncc(C#N)c2ccccc21 ZINC001162760549 1089932031 /nfs/dbraw/zinc/93/20/31/1089932031.db2.gz RQOXOSWYTSBLMF-LBPRGKRZSA-N 0 3 313.364 3.465 20 30 DGEDHN COc1cc(-n2c3ccccc3nc2[C@@H](C)N)ccc1CC#N ZINC001162767359 1089940347 /nfs/dbraw/zinc/94/03/47/1089940347.db2.gz VXIFAMPBACOTPZ-GFCCVEGCSA-N 0 3 306.369 3.120 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc2c(C#N)nccc2c1 ZINC001162778758 1089953024 /nfs/dbraw/zinc/95/30/24/1089953024.db2.gz PDJGPKFGUDCMGD-LBPRGKRZSA-N 0 3 313.364 3.465 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccsc1 ZINC001485245464 1090053178 /nfs/dbraw/zinc/05/31/78/1090053178.db2.gz ZXSVGNPSJHGHMS-UHFFFAOYSA-N 0 3 300.855 3.188 20 30 DGEDHN C[C@H](CNC(=O)/C=C/C(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001485287444 1090079696 /nfs/dbraw/zinc/07/96/96/1090079696.db2.gz RDAQMLHUKGKRSJ-BOLDSZDNSA-N 0 3 313.445 3.097 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001157719340 1090087452 /nfs/dbraw/zinc/08/74/52/1090087452.db2.gz ZGVHRQMDUYQVCC-UHFFFAOYSA-N 0 3 324.827 3.125 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001485298026 1090089121 /nfs/dbraw/zinc/08/91/21/1090089121.db2.gz PUNHEAPRESBPFY-CQSZACIVSA-N 0 3 306.837 3.080 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485300463 1090091174 /nfs/dbraw/zinc/09/11/74/1090091174.db2.gz HZPZVJRXVVXHIR-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN N#Cc1cc2ccccc2nc1N[C@H]1CNCc2ccsc21 ZINC001163220335 1090119487 /nfs/dbraw/zinc/11/94/87/1090119487.db2.gz OXTALGNXGRNVRG-HNNXBMFYSA-N 0 3 306.394 3.424 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)CC ZINC001089849335 1090136223 /nfs/dbraw/zinc/13/62/23/1090136223.db2.gz BPLTXCJEBKKTPW-FZKCQIBNSA-N 0 3 324.896 3.344 20 30 DGEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001485390706 1090140720 /nfs/dbraw/zinc/14/07/20/1090140720.db2.gz KOCACGWCNUPVCM-PKOBYXMFSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1oc2ccccc2c1CC ZINC001485391137 1090143214 /nfs/dbraw/zinc/14/32/14/1090143214.db2.gz OAQJAOMOKLCFTA-CYBMUJFWSA-N 0 3 300.402 3.231 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1nc(C(C)C)oc1C ZINC001157950860 1090156481 /nfs/dbraw/zinc/15/64/81/1090156481.db2.gz IAVGNTWHCPARFD-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CN(C)CCOCC ZINC001157994383 1090167755 /nfs/dbraw/zinc/16/77/55/1090167755.db2.gz MSMWOQHFIMHAIB-GOSISDBHSA-N 0 3 322.493 3.104 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(C2CCC2)cc1 ZINC001163443065 1090187175 /nfs/dbraw/zinc/18/71/75/1090187175.db2.gz QWXVCTJVQKKQDM-UHFFFAOYSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc(Cl)cc1 ZINC001163464143 1090192035 /nfs/dbraw/zinc/19/20/35/1090192035.db2.gz SOLIGHNGXVYHEC-UHFFFAOYSA-N 0 3 315.244 3.121 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H]1CCCCCN1CC#CC)c1ccccc1 ZINC001485485656 1090193243 /nfs/dbraw/zinc/19/32/43/1090193243.db2.gz RZEUPWGWQMWVJZ-PMACEKPBSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001485588451 1090222835 /nfs/dbraw/zinc/22/28/35/1090222835.db2.gz YSCINDCRBAHVQM-FUHWJXTLSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001485688837 1090241652 /nfs/dbraw/zinc/24/16/52/1090241652.db2.gz FZYBCJGECBSWLZ-HAQNSBGRSA-N 0 3 312.866 3.161 20 30 DGEDHN C=C(Cl)CNCCC[C@H](NC(=O)[C@@H](C)C#N)c1ccccc1 ZINC001485778956 1090276823 /nfs/dbraw/zinc/27/68/23/1090276823.db2.gz RBPZMNAJFKQZHI-BBRMVZONSA-N 0 3 319.836 3.126 20 30 DGEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001272701163 1090286074 /nfs/dbraw/zinc/28/60/74/1090286074.db2.gz DOEKXMSIBYIAED-QGZVFWFLSA-N 0 3 314.420 3.455 20 30 DGEDHN C=CCCCCCCN1CCC[C@@]12CCN([C@@H](C)C(C)=O)C2=O ZINC001272701756 1090294402 /nfs/dbraw/zinc/29/44/02/1090294402.db2.gz LLHKCOHUSCKTJF-LPHOPBHVSA-N 0 3 320.477 3.167 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc4[nH]ccc4c3)CC2)C1=O ZINC001272706539 1090306806 /nfs/dbraw/zinc/30/68/06/1090306806.db2.gz DSQDLUYYRDMBHA-UHFFFAOYSA-N 0 3 323.440 3.168 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1cccc(F)c1F ZINC001164324589 1090400820 /nfs/dbraw/zinc/40/08/20/1090400820.db2.gz XANNKMYETMYSRF-ZDUSSCGKSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001164346115 1090407585 /nfs/dbraw/zinc/40/75/85/1090407585.db2.gz LBKNSDPRHSJDJF-ZDUSSCGKSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)CCCC)CC1 ZINC001164381119 1090417660 /nfs/dbraw/zinc/41/76/60/1090417660.db2.gz HQTVXTITCQMXFW-CYBMUJFWSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(CC)o1)C2 ZINC001204391211 1090454871 /nfs/dbraw/zinc/45/48/71/1090454871.db2.gz PFODVYCSXGZGOY-MOPGFXCFSA-N 0 3 319.445 3.416 20 30 DGEDHN CC(C)(C)N1CCN(c2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001165092788 1090464300 /nfs/dbraw/zinc/46/43/00/1090464300.db2.gz FUCCFBWXXOUSCW-UHFFFAOYSA-N 0 3 315.537 3.231 20 30 DGEDHN CCN1CCCC[C@@H]1c1ccc(N2C[C@@H](F)C[C@@H]2C#N)nc1 ZINC001165192931 1090477658 /nfs/dbraw/zinc/47/76/58/1090477658.db2.gz INOGKHYJWRSMQE-ARFHVFGLSA-N 0 3 302.397 3.069 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC2CC(F)(F)C2)CC1 ZINC001165819670 1090551202 /nfs/dbraw/zinc/55/12/02/1090551202.db2.gz UIFJHBIKEYJCLE-UHFFFAOYSA-N 0 3 320.811 3.050 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864725 1090520263 /nfs/dbraw/zinc/52/02/63/1090520263.db2.gz YXRITEUYLMQAIY-LPHOPBHVSA-N 0 3 322.493 3.295 20 30 DGEDHN N#CC1(c2ccc(NCC3CN(Cc4ccccc4)C3)nc2)CC1 ZINC001165427841 1090520697 /nfs/dbraw/zinc/52/06/97/1090520697.db2.gz XISJRFHSTXHZKG-UHFFFAOYSA-N 0 3 318.424 3.181 20 30 DGEDHN C/C(=N\O)c1ccc(NCC2CN(Cc3ccccc3)C2)cc1 ZINC001165486350 1090524571 /nfs/dbraw/zinc/52/45/71/1090524571.db2.gz MFMSMXZSVMJSLS-RCCKNPSSSA-N 0 3 309.413 3.429 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2ccc(C)cc2)CC1 ZINC001166042258 1090571967 /nfs/dbraw/zinc/57/19/67/1090571967.db2.gz YGFIODQVVNQUMN-UHFFFAOYSA-N 0 3 320.864 3.166 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001107965552 1090573210 /nfs/dbraw/zinc/57/32/10/1090573210.db2.gz ZHQPWBWUKUMTRM-QFBILLFUSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN[C@@H](C)c2cc(F)ccc2F)C1 ZINC001166230618 1090589931 /nfs/dbraw/zinc/58/99/31/1090589931.db2.gz CXXOACCHVIECBK-ZDUSSCGKSA-N 0 3 322.399 3.478 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971049 1090593887 /nfs/dbraw/zinc/59/38/87/1090593887.db2.gz NFWCIMLJPTUDPM-LPHOPBHVSA-N 0 3 322.493 3.151 20 30 DGEDHN C#CCCCCCC(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166588998 1090624406 /nfs/dbraw/zinc/62/44/06/1090624406.db2.gz MQRPVMQGEHKSNY-UHFFFAOYSA-N 0 3 310.869 3.199 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCNCc1cc(F)ccc1C ZINC001128085609 1090646388 /nfs/dbraw/zinc/64/63/88/1090646388.db2.gz XDZBTBZVTXAFOK-UHFFFAOYSA-N 0 3 304.409 3.108 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC2CC(C)(C)C2)CC1 ZINC001166802229 1090659641 /nfs/dbraw/zinc/65/96/41/1090659641.db2.gz HMOXGCSGEGQLBH-UHFFFAOYSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(C)cs1 ZINC001272871551 1090661320 /nfs/dbraw/zinc/66/13/20/1090661320.db2.gz DLZLCOMZBGBHHG-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC(C1CCC1)C1CCC1 ZINC001166819782 1090662548 /nfs/dbraw/zinc/66/25/48/1090662548.db2.gz GQNDHSYHPYFSAB-UHFFFAOYSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001166875849 1090671480 /nfs/dbraw/zinc/67/14/80/1090671480.db2.gz MGQIHIWGFSVTPI-ZFWWWQNUSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CCCC#CC)cccc2C1 ZINC001272917168 1090680263 /nfs/dbraw/zinc/68/02/63/1090680263.db2.gz QIMKIBAYWOGKFN-UHFFFAOYSA-N 0 3 324.468 3.431 20 30 DGEDHN CCC[C@H](C)CCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001128153521 1090699201 /nfs/dbraw/zinc/69/92/01/1090699201.db2.gz ZROSXSPVVKNISI-AWEZNQCLSA-N 0 3 321.490 3.432 20 30 DGEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932922 1090703347 /nfs/dbraw/zinc/70/33/47/1090703347.db2.gz ORGOJFONUPVPAZ-QGZVFWFLSA-N 0 3 304.459 3.281 20 30 DGEDHN C[C@@H](CN(C)C(=O)/C=C\C(C)(C)C)NCc1ccc(C#N)s1 ZINC001485854806 1090708730 /nfs/dbraw/zinc/70/87/30/1090708730.db2.gz HFDSMQWUZRDTJW-YXVBKTCISA-N 0 3 319.474 3.159 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001485911644 1090724870 /nfs/dbraw/zinc/72/48/70/1090724870.db2.gz FEKMQIRMRYCEIP-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccccc1OC)C2 ZINC001203432659 1090734653 /nfs/dbraw/zinc/73/46/53/1090734653.db2.gz YVIFBKFYCDESOF-HKUYNNGSSA-N 0 3 317.429 3.021 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(Cl)c2occc21 ZINC001485945227 1090736981 /nfs/dbraw/zinc/73/69/81/1090736981.db2.gz MMCPPNDKPFNWHB-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@H]1C ZINC001486122617 1090755001 /nfs/dbraw/zinc/75/50/01/1090755001.db2.gz SPEAYXRMJYNMQO-ZBFHGGJFSA-N 0 3 304.409 3.261 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCC(C)(C)C)CCC[C@@H]12 ZINC001486150324 1090765037 /nfs/dbraw/zinc/76/50/37/1090765037.db2.gz XIAGXBPFVKGFMP-APWZRJJASA-N 0 3 304.478 3.339 20 30 DGEDHN CCc1ccccc1CN1CCC[C@@H](NC(=O)C#CC2CC2)[C@H]1C ZINC001486173816 1090774733 /nfs/dbraw/zinc/77/47/33/1090774733.db2.gz NGHROQQVPXQQAA-OXQOHEQNSA-N 0 3 324.468 3.132 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cnco2)[C@@H]1C ZINC001486176380 1090775470 /nfs/dbraw/zinc/77/54/70/1090775470.db2.gz KUDVVGLLXGSFIY-GJZGRUSLSA-N 0 3 307.438 3.228 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001486180323 1090778303 /nfs/dbraw/zinc/77/83/03/1090778303.db2.gz LULARLULPCCDKX-NVXWUHKLSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCOC2CCC2)[C@H]1C ZINC001486180324 1090778326 /nfs/dbraw/zinc/77/83/26/1090778326.db2.gz LULARLULPCCDKX-RDJZCZTQSA-N 0 3 322.493 3.127 20 30 DGEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CCC[C@@]1(O)C(F)(F)F ZINC001203757066 1090797627 /nfs/dbraw/zinc/79/76/27/1090797627.db2.gz HRWFSQQPQBQNMW-WFASDCNBSA-N 0 3 312.335 3.084 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cccc(C#N)c1)C2 ZINC001203758018 1090797656 /nfs/dbraw/zinc/79/76/56/1090797656.db2.gz REMPJSQJXZGLJV-FQEVSTJZSA-N 0 3 323.440 3.091 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001276421097 1090807812 /nfs/dbraw/zinc/80/78/12/1090807812.db2.gz GTWQPOKSLRUBDY-KSSFIOAISA-N 0 3 320.502 3.329 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](COC)C(C)C ZINC001203810942 1090811035 /nfs/dbraw/zinc/81/10/35/1090811035.db2.gz YGJPEKVNRLMAPK-AWEZNQCLSA-N 0 3 309.837 3.360 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1ccccc1F)C(C)C ZINC001486379464 1090814969 /nfs/dbraw/zinc/81/49/69/1090814969.db2.gz KDRORLHJWVWUDB-UHFFFAOYSA-N 0 3 306.425 3.113 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H](CCO)C1CCCC1 ZINC001203831270 1090815906 /nfs/dbraw/zinc/81/59/06/1090815906.db2.gz RCWOCFZOHGUQDD-QGZVFWFLSA-N 0 3 321.848 3.383 20 30 DGEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001203907079 1090834925 /nfs/dbraw/zinc/83/49/25/1090834925.db2.gz HYXUWDCMJCCSDW-OALUTQOASA-N 0 3 320.392 3.294 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CCN(Cc2ccsc2)CC1 ZINC001486445846 1090837944 /nfs/dbraw/zinc/83/79/44/1090837944.db2.gz OASAWQLJZPRQGL-HNNXBMFYSA-N 0 3 318.486 3.268 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CC=C)CC[C@H]1C(F)(F)F ZINC001486452447 1090842767 /nfs/dbraw/zinc/84/27/67/1090842767.db2.gz JBYKSEQUEXGBOY-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2ccc(C3CCC3)cc2)CC1 ZINC001486513693 1090864772 /nfs/dbraw/zinc/86/47/72/1090864772.db2.gz XBILBZMZMJZATM-UHFFFAOYSA-N 0 3 324.468 3.431 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001276439383 1090895617 /nfs/dbraw/zinc/89/56/17/1090895617.db2.gz CEBPIACQHDMKIB-JKSUJKDBSA-N 0 3 300.446 3.111 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001128199468 1090901960 /nfs/dbraw/zinc/90/19/60/1090901960.db2.gz JBICULDRENGVLJ-LLVKDONJSA-N 0 3 312.816 3.371 20 30 DGEDHN C=CCOc1ccc(CN2CCCN(c3ccccn3)CC2)cc1 ZINC001204298300 1090943057 /nfs/dbraw/zinc/94/30/57/1090943057.db2.gz ZJQWUBZGEHVEAE-UHFFFAOYSA-N 0 3 323.440 3.359 20 30 DGEDHN C=CCOc1ccc(CN2CCC(N(C)C(=O)CC)CC2)cc1 ZINC001204302777 1090944325 /nfs/dbraw/zinc/94/43/25/1090944325.db2.gz SIWXQGTVZLDOEW-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cncc2sccc21 ZINC001272979488 1090956872 /nfs/dbraw/zinc/95/68/72/1090956872.db2.gz WMLVTHWLCFAWKD-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc(F)c1C ZINC001273005714 1090983604 /nfs/dbraw/zinc/98/36/04/1090983604.db2.gz LUKALJBDHAWDAO-LJQANCHMSA-N 0 3 316.420 3.277 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1ccccc1F ZINC001273041430 1091013716 /nfs/dbraw/zinc/01/37/16/1091013716.db2.gz VAJRKEWOZWZOTG-QZTJIDSGSA-N 0 3 316.420 3.010 20 30 DGEDHN CC(C)C1(CN2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC001204881844 1091053530 /nfs/dbraw/zinc/05/35/30/1091053530.db2.gz VMMSWXQNPVJTCP-UHFFFAOYSA-N 0 3 301.409 3.256 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@]1(C)CN(C[C@@H](C)CC(C)C)CCO1 ZINC001108118737 1091098574 /nfs/dbraw/zinc/09/85/74/1091098574.db2.gz AHFFKNMAVKZAKQ-QFBILLFUSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108136066 1091128817 /nfs/dbraw/zinc/12/88/17/1091128817.db2.gz OOSIGGFVIPDLDX-CPQIZGHHSA-N 0 3 320.477 3.071 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@@H]2CCCN2CC(C)C)c1 ZINC001292038587 1091128812 /nfs/dbraw/zinc/12/88/12/1091128812.db2.gz IACLJWNYUHFCMX-KRWDZBQOSA-N 0 3 302.418 3.310 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108148738 1091152819 /nfs/dbraw/zinc/15/28/19/1091152819.db2.gz NNZWPCUMZXMBAB-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@@H](C#N)CNCCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001205366581 1091201850 /nfs/dbraw/zinc/20/18/50/1091201850.db2.gz JALFUXOVLOFKCN-HNSVSWJLSA-N 0 3 321.465 3.304 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001138559417 1091227353 /nfs/dbraw/zinc/22/73/53/1091227353.db2.gz UBGYWPDQDVMLJL-HXUWFJFHSA-N 0 3 307.393 3.352 20 30 DGEDHN CCn1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cn1 ZINC001205538456 1091245831 /nfs/dbraw/zinc/24/58/31/1091245831.db2.gz LGNOHUQOOLRSLM-UHFFFAOYSA-N 0 3 308.429 3.229 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](CC(=O)OCC)C2)c1[O-] ZINC001138625792 1091260806 /nfs/dbraw/zinc/26/08/06/1091260806.db2.gz SVKLRLTWXLQMHI-OAHLLOKOSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](CC(=O)OCC)C2)c1[O-] ZINC001138625792 1091260813 /nfs/dbraw/zinc/26/08/13/1091260813.db2.gz SVKLRLTWXLQMHI-OAHLLOKOSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCN(C)CC23CCCC3)c1[O-] ZINC001138631449 1091262484 /nfs/dbraw/zinc/26/24/84/1091262484.db2.gz SKAUSUZLBURGRR-UHFFFAOYSA-N 0 3 300.446 3.181 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCN(C)CC23CCCC3)c1[O-] ZINC001138631449 1091262493 /nfs/dbraw/zinc/26/24/93/1091262493.db2.gz SKAUSUZLBURGRR-UHFFFAOYSA-N 0 3 300.446 3.181 20 30 DGEDHN C[C@H](c1ccccn1)N1CC[C@@H](OCc2ccc(C#N)cc2)C1 ZINC001205603930 1091275659 /nfs/dbraw/zinc/27/56/59/1091275659.db2.gz HKBYOVROMCDCSS-CRAIPNDOSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@H](C(=O)OC)C[C@H](C)C1 ZINC001138664975 1091281996 /nfs/dbraw/zinc/28/19/96/1091281996.db2.gz CXDISOUREKZFFL-DOTOQJQBSA-N 0 3 317.429 3.273 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108173139 1091284059 /nfs/dbraw/zinc/28/40/59/1091284059.db2.gz LHXRYYFMSCUCFY-QFBILLFUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(F)cc(Cl)c3)C2)C1=O ZINC001273176860 1091335533 /nfs/dbraw/zinc/33/55/33/1091335533.db2.gz BQPNILIGXCHROF-QGZVFWFLSA-N 0 3 322.811 3.090 20 30 DGEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1[nH]c(C)cc1C ZINC001273185474 1091358538 /nfs/dbraw/zinc/35/85/38/1091358538.db2.gz WBGVHONFLQPIBP-IBGZPJMESA-N 0 3 315.461 3.165 20 30 DGEDHN C=CCOc1ccccc1CN1CCCN(c2ccccn2)CC1 ZINC001139027092 1091422738 /nfs/dbraw/zinc/42/27/38/1091422738.db2.gz KAPAXVQONTYLCJ-UHFFFAOYSA-N 0 3 323.440 3.359 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001206094612 1091489296 /nfs/dbraw/zinc/48/92/96/1091489296.db2.gz QVAQCUAZJFUILI-UHFFFAOYSA-N 0 3 321.327 3.447 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001206094669 1091489474 /nfs/dbraw/zinc/48/94/74/1091489474.db2.gz UALWITRWRIBQKJ-UHFFFAOYSA-N 0 3 321.384 3.031 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3occc3C(C)C)[C@@H]2C1 ZINC001084601099 1091510616 /nfs/dbraw/zinc/51/06/16/1091510616.db2.gz UDOIFGRTLCGKEN-GDBMZVCRSA-N 0 3 302.418 3.125 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4ccsc43)[C@@H]2C1 ZINC001084756964 1091554940 /nfs/dbraw/zinc/55/49/40/1091554940.db2.gz XVMWAAPSQSSRKM-NVXWUHKLSA-N 0 3 324.449 3.071 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1=O ZINC001273231578 1091561394 /nfs/dbraw/zinc/56/13/94/1091561394.db2.gz QRKGTSAMEXDZEQ-KRWDZBQOSA-N 0 3 322.811 3.090 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4ccccc43)[C@@H]2C1 ZINC001084809386 1091577878 /nfs/dbraw/zinc/57/78/78/1091577878.db2.gz LLKSUKQCACJPSY-YLJYHZDGSA-N 0 3 318.420 3.009 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)C(CC)CC ZINC001098921603 1091583523 /nfs/dbraw/zinc/58/35/23/1091583523.db2.gz JGWVDQMMJOODGH-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)[C@@H]2C1 ZINC001084860264 1091596806 /nfs/dbraw/zinc/59/68/06/1091596806.db2.gz IDDKGHCWONKSQE-GGPKGHCWSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)C[C@@H]21 ZINC001084939784 1091621452 /nfs/dbraw/zinc/62/14/52/1091621452.db2.gz KNTBZGNOXVIGSC-ZACQAIPSSA-N 0 3 302.462 3.066 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C[C@@H]21 ZINC001084944577 1091621694 /nfs/dbraw/zinc/62/16/94/1091621694.db2.gz XHCFFKDLQHLTGH-TWMKSMIVSA-N 0 3 304.478 3.168 20 30 DGEDHN COC(=O)CCN(Cc1cc(C#N)ccc1F)C1CCCC1 ZINC001139651616 1091636448 /nfs/dbraw/zinc/63/64/48/1091636448.db2.gz RMFYYAZUFAESON-UHFFFAOYSA-N 0 3 304.365 3.005 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H]3CCN(C[C@@H](F)CC)[C@H]3C2)CC1 ZINC001085023447 1091642129 /nfs/dbraw/zinc/64/21/29/1091642129.db2.gz CFCXYMCJAREDBD-NJAFHUGGSA-N 0 3 322.468 3.404 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CSc3ccccc3O2)c(F)c1 ZINC001202963445 1091650836 /nfs/dbraw/zinc/65/08/36/1091650836.db2.gz ANMQIMIJTCBGTD-AWEZNQCLSA-N 0 3 314.385 3.340 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)C[C@@H]21 ZINC001085047880 1091651077 /nfs/dbraw/zinc/65/10/77/1091651077.db2.gz SMFUUOVLHOXFIH-NXHRZFHOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001098943827 1091656735 /nfs/dbraw/zinc/65/67/35/1091656735.db2.gz CIXLOECATPEKMG-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001206545859 1091664302 /nfs/dbraw/zinc/66/43/02/1091664302.db2.gz ZRHZPHVCNQVRPP-XWIAVFTESA-N 0 3 316.420 3.216 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)C(C)C)C12CCC2 ZINC001202967642 1091667149 /nfs/dbraw/zinc/66/71/49/1091667149.db2.gz DNCGXOZVVUPKEI-KGLIPLIRSA-N 0 3 312.885 3.438 20 30 DGEDHN CCCCCCN1CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139874890 1091699048 /nfs/dbraw/zinc/69/90/48/1091699048.db2.gz QFNRPFGJHFMHNW-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccsc1C ZINC001085192828 1091701869 /nfs/dbraw/zinc/70/18/69/1091701869.db2.gz CKDHOFUXDFTGKL-ZIAGYGMSSA-N 0 3 312.866 3.440 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2cccc(CC#N)c2)c(F)c1 ZINC001299307354 1091703552 /nfs/dbraw/zinc/70/35/52/1091703552.db2.gz ZWXKWNGESWIGJE-UHFFFAOYSA-N 0 3 311.360 3.206 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202986495 1091721187 /nfs/dbraw/zinc/72/11/87/1091721187.db2.gz IYKCNWZTFDREAE-GJZGRUSLSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cncc1C ZINC001085272713 1091731219 /nfs/dbraw/zinc/73/12/19/1091731219.db2.gz TXTJGTXYBISCBK-HUUCEWRRSA-N 0 3 321.852 3.082 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001085384937 1091762413 /nfs/dbraw/zinc/76/24/13/1091762413.db2.gz ZWQNEDFSWIERIX-RBSFLKMASA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C)CC(F)(F)C1 ZINC001085390080 1091762459 /nfs/dbraw/zinc/76/24/59/1091762459.db2.gz KCNASEKHOOAHCU-VXGBXAGGSA-N 0 3 320.811 3.191 20 30 DGEDHN O=C1C=C2CN(Cc3cc(-c4ccccc4)on3)CCC2S1 ZINC001206844115 1091764219 /nfs/dbraw/zinc/76/42/19/1091764219.db2.gz UOHOQZWBBGZEDR-MRXNPFEDSA-N 0 3 312.394 3.116 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN(CCO)Cc3ccccc3)c2c1 ZINC001140112408 1091773051 /nfs/dbraw/zinc/77/30/51/1091773051.db2.gz TZMQWSFPOSCGKX-UHFFFAOYSA-N 0 3 305.381 3.034 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H](Oc4cccnc4)C3)c2c1 ZINC001140113785 1091773488 /nfs/dbraw/zinc/77/34/88/1091773488.db2.gz CVXLKQALUVMRLM-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnc(C)s1)C2 ZINC001207060993 1091834944 /nfs/dbraw/zinc/83/49/44/1091834944.db2.gz YXUQCMZAQWMVOC-IAGOWNOFSA-N 0 3 322.474 3.025 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607187 1091850394 /nfs/dbraw/zinc/85/03/94/1091850394.db2.gz JDCROWYEJWELIQ-XMTFNYHQSA-N 0 3 302.462 3.088 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC001085611263 1091854977 /nfs/dbraw/zinc/85/49/77/1091854977.db2.gz NWXHOXCVLOMZAZ-QGZVFWFLSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(-c2ccccc2)ccn1 ZINC001297372797 1091871235 /nfs/dbraw/zinc/87/12/35/1091871235.db2.gz FMMCDKZTPJLECE-UHFFFAOYSA-N 0 3 323.440 3.329 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(F)cc1F ZINC001085665684 1091876116 /nfs/dbraw/zinc/87/61/16/1091876116.db2.gz NYDNLPZFADFGKR-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c2ccccc2n1 ZINC001085680056 1091879541 /nfs/dbraw/zinc/87/95/41/1091879541.db2.gz XYCVHTXRKOHSMW-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(CCN1CCC(C)(F)CC1)C(=O)OC(C)(C)C ZINC001207199649 1091884647 /nfs/dbraw/zinc/88/46/47/1091884647.db2.gz OVNSLVMJGTZZNO-UHFFFAOYSA-N 0 3 300.418 3.234 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)n(CC)c1C ZINC001085703932 1091889334 /nfs/dbraw/zinc/88/93/34/1091889334.db2.gz CLBPJZNBUXJRNK-KRWDZBQOSA-N 0 3 317.477 3.237 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727727 1091900929 /nfs/dbraw/zinc/90/09/29/1091900929.db2.gz GFBUZSOSJWNUCQ-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CN1CCC[C@@H](C#N)CC1 ZINC001207315488 1091921776 /nfs/dbraw/zinc/92/17/76/1091921776.db2.gz RLLKNOAKPAEZNO-HZPDHXFCSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(F)ccc1C)C2 ZINC001140591970 1091924765 /nfs/dbraw/zinc/92/47/65/1091924765.db2.gz QZYIYQAOTYJFKN-MOPGFXCFSA-N 0 3 319.420 3.460 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(F)ccc1C)C2 ZINC001140591971 1091925224 /nfs/dbraw/zinc/92/52/24/1091925224.db2.gz QZYIYQAOTYJFKN-OALUTQOASA-N 0 3 319.420 3.460 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787055 1091932014 /nfs/dbraw/zinc/93/20/14/1091932014.db2.gz DXAWRZDXWCIPHM-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cncc2sccc21 ZINC001085783389 1091932915 /nfs/dbraw/zinc/93/29/15/1091932915.db2.gz USRHWLIEBMOZEI-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001085791931 1091936447 /nfs/dbraw/zinc/93/64/47/1091936447.db2.gz WJEVOTRDKRWPAR-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1C ZINC001085796310 1091942569 /nfs/dbraw/zinc/94/25/69/1091942569.db2.gz OJVGZLXNAWNWOB-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001085816398 1091950647 /nfs/dbraw/zinc/95/06/47/1091950647.db2.gz WAYKGWQVIZPSMD-INIZCTEOSA-N 0 3 312.457 3.461 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1Cl ZINC001085838985 1091959551 /nfs/dbraw/zinc/95/95/51/1091959551.db2.gz YRIHHMLXYMSOPJ-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001085839198 1091974552 /nfs/dbraw/zinc/97/45/52/1091974552.db2.gz DLJHPQNLMSPWLE-BDXSIMOUSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001085911538 1092008433 /nfs/dbraw/zinc/00/84/33/1092008433.db2.gz HQBCKVAZTSGQAT-LJQANCHMSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085938508 1092026310 /nfs/dbraw/zinc/02/63/10/1092026310.db2.gz IWCNILFSFLMVCG-AWEZNQCLSA-N 0 3 306.837 3.453 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1occ2c1CCCC2 ZINC001085946591 1092035205 /nfs/dbraw/zinc/03/52/05/1092035205.db2.gz MSXZVGYBQQJJNJ-MRXNPFEDSA-N 0 3 316.445 3.271 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085951050 1092039260 /nfs/dbraw/zinc/03/92/60/1092039260.db2.gz UMVQYUGPYHBZGI-GFCCVEGCSA-N 0 3 312.360 3.330 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085957050 1092053650 /nfs/dbraw/zinc/05/36/50/1092053650.db2.gz RZGRBYAAVYKGTP-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001085963936 1092060756 /nfs/dbraw/zinc/06/07/56/1092060756.db2.gz UMJYORYLNNRWBO-IBGZPJMESA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)cccc1Cl ZINC001273383806 1092087635 /nfs/dbraw/zinc/08/76/35/1092087635.db2.gz IMQHOXDQHKKMKC-IAGOWNOFSA-N 0 3 318.848 3.400 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001085998762 1092088952 /nfs/dbraw/zinc/08/89/52/1092088952.db2.gz MYRRWEKUADFVPW-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001085999788 1092090667 /nfs/dbraw/zinc/09/06/67/1092090667.db2.gz TZBANNHODVFQAP-KRWDZBQOSA-N 0 3 323.440 3.404 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001207863057 1092123627 /nfs/dbraw/zinc/12/36/27/1092123627.db2.gz FRELUAHUBPKCJU-CYBMUJFWSA-N 0 3 317.260 3.080 20 30 DGEDHN N#CC1(CNC2CC(c3ccc(F)cc3F)C2)CCOCC1 ZINC001207773061 1092096768 /nfs/dbraw/zinc/09/67/68/1092096768.db2.gz ABBZBTMOAPLJDS-UHFFFAOYSA-N 0 3 306.356 3.121 20 30 DGEDHN C=CCN(C)C[C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207820343 1092109613 /nfs/dbraw/zinc/10/96/13/1092109613.db2.gz DRORKTXGBUVHKU-STQMWFEESA-N 0 3 318.408 3.243 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001086094922 1092130937 /nfs/dbraw/zinc/13/09/37/1092130937.db2.gz JBLVFUHITSLFFB-HRCADAONSA-N 0 3 310.869 3.360 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001207909020 1092135872 /nfs/dbraw/zinc/13/58/72/1092135872.db2.gz MKKHJRGLMBWSCW-JKSUJKDBSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001086143029 1092141165 /nfs/dbraw/zinc/14/11/65/1092141165.db2.gz VZORDJIROWCDIS-XUWVNRHRSA-N 0 3 324.896 3.462 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001207992481 1092170274 /nfs/dbraw/zinc/17/02/74/1092170274.db2.gz LXFDRHNAVBZYKQ-HOTGVXAUSA-N 0 3 316.420 3.127 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001086237802 1092174580 /nfs/dbraw/zinc/17/45/80/1092174580.db2.gz RKOSMBPCDVXMNJ-WCVJEAGWSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC001086258759 1092180463 /nfs/dbraw/zinc/18/04/63/1092180463.db2.gz QLRIGSMIPJWSMJ-TXEJJXNPSA-N 0 3 313.228 3.191 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001086443168 1092254741 /nfs/dbraw/zinc/25/47/41/1092254741.db2.gz IPSXBTQNORBNPH-UMSPYCQHSA-N 0 3 323.849 3.080 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H](NCc2nc(C)cs2)C1 ZINC001491880645 1092271053 /nfs/dbraw/zinc/27/10/53/1092271053.db2.gz AHGSAJFUSIVENL-GJZGRUSLSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001086488609 1092276562 /nfs/dbraw/zinc/27/65/62/1092276562.db2.gz DCOQPAAEJKCORX-AULYBMBSSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC001273437459 1092294244 /nfs/dbraw/zinc/29/42/44/1092294244.db2.gz 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ZINC001492366242 1092483554 /nfs/dbraw/zinc/48/35/54/1092483554.db2.gz WSEACWWPYIHZGE-UHFFFAOYSA-N 0 3 320.436 3.147 20 30 DGEDHN COc1ccc(CCN2CCc3ccc(C#N)cc3C2)cc1OC ZINC001208752896 1092490964 /nfs/dbraw/zinc/49/09/64/1092490964.db2.gz JOUZQHWHBAAWBQ-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN COc1ccc(CCN2CCc3cc(C#N)ccc3C2)cc1OC ZINC001208752423 1092491810 /nfs/dbraw/zinc/49/18/10/1092491810.db2.gz FJDNBHKSKTUUKS-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN C=CCCCC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001492393636 1092495782 /nfs/dbraw/zinc/49/57/82/1092495782.db2.gz SAQPDRBVKQPHGT-KRWDZBQOSA-N 0 3 304.409 3.217 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@H](C)C(F)(F)F)C2 ZINC001208893766 1092570640 /nfs/dbraw/zinc/57/06/40/1092570640.db2.gz YGQULWQCERWDKJ-MELADBBJSA-N 0 3 307.356 3.011 20 30 DGEDHN N#Cc1ccc2c(CN3CCC4(CCOCC4)CC3)c[nH]c2c1 ZINC001142922805 1092587516 /nfs/dbraw/zinc/58/75/16/1092587516.db2.gz WQOWTZLORYQYFH-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN COc1cc(C)c(CN2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001142936113 1092592676 /nfs/dbraw/zinc/59/26/76/1092592676.db2.gz OAQIKZZXZWKZOO-MRXNPFEDSA-N 0 3 303.427 3.086 20 30 DGEDHN CCCN(CCCC1(C#N)CCOCC1)[C@@H](CC)C(=O)OCC ZINC001169234948 1092605042 /nfs/dbraw/zinc/60/50/42/1092605042.db2.gz ZGPQMYJSXXOULF-INIZCTEOSA-N 0 3 324.465 3.141 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001209124715 1092664390 /nfs/dbraw/zinc/66/43/90/1092664390.db2.gz CIWJCQRMLQLUNT-BHIYHBOVSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209182875 1092683824 /nfs/dbraw/zinc/68/38/24/1092683824.db2.gz JIOPXXBYPMTBAJ-OLZOCXBDSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCc2cccs2)C(C)(C)C1 ZINC001276622704 1092685677 /nfs/dbraw/zinc/68/56/77/1092685677.db2.gz BBIANIOMHJPQIG-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001209185323 1092685805 /nfs/dbraw/zinc/68/58/05/1092685805.db2.gz WEZRZCFONHBDBD-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCCN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001209203043 1092693429 /nfs/dbraw/zinc/69/34/29/1092693429.db2.gz LASFGEYBWCSSCL-OKZBNKHCSA-N 0 3 316.445 3.296 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCC[C@@H](C)CCC)C1 ZINC001149781164 1092730762 /nfs/dbraw/zinc/73/07/62/1092730762.db2.gz MQMSOGRTMYUGFP-ZWKOTPCHSA-N 0 3 324.509 3.376 20 30 DGEDHN N#Cc1cccc(CNCCNC(=O)CCC2CCCCC2)c1 ZINC001149786001 1092731361 /nfs/dbraw/zinc/73/13/61/1092731361.db2.gz JXBLRUOACSBURN-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001149966171 1092745787 /nfs/dbraw/zinc/74/57/87/1092745787.db2.gz HXDNWNUVXOXZNL-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCCCCN1CCCn2nnc(COCC)c2C1 ZINC001209437837 1092774063 /nfs/dbraw/zinc/77/40/63/1092774063.db2.gz WFLHGFVDFCVKOC-UHFFFAOYSA-N 0 3 306.454 3.157 20 30 DGEDHN C=CCCCCCCCN1Cc2ccnn2C[C@H](COC)C1 ZINC001209439450 1092775568 /nfs/dbraw/zinc/77/55/68/1092775568.db2.gz QDNPYWFKXDZDCT-QGZVFWFLSA-N 0 3 305.466 3.488 20 30 DGEDHN C=CCCCCCCCCN1Cc2ccnn2CC[C@H]1CO ZINC001209446126 1092776408 /nfs/dbraw/zinc/77/64/08/1092776408.db2.gz RWMICVITFPGNAQ-SFHVURJKSA-N 0 3 305.466 3.366 20 30 DGEDHN C=CCCCCCCCCN1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001209443361 1092777399 /nfs/dbraw/zinc/77/73/99/1092777399.db2.gz RJCLNEUDRPIBCR-GJZGRUSLSA-N 0 3 323.399 3.263 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001150771382 1092821517 /nfs/dbraw/zinc/82/15/17/1092821517.db2.gz JZLOXJASFYVPTO-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H](C)CCCC)CC1 ZINC001151121077 1092866869 /nfs/dbraw/zinc/86/68/69/1092866869.db2.gz DYNWLJBHKZOCIB-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001151368216 1092890831 /nfs/dbraw/zinc/89/08/31/1092890831.db2.gz XCTYWMVAFCNMGU-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN CN1CCc2c(C#N)c(Nc3ccc4nc[nH]c4c3)sc2C1 ZINC001209842145 1092942348 /nfs/dbraw/zinc/94/23/48/1092942348.db2.gz DXAPUHHKSABMSX-UHFFFAOYSA-N 0 3 309.398 3.228 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001210111403 1093045857 /nfs/dbraw/zinc/04/58/57/1093045857.db2.gz LFHCWAUWPBHZIN-KZNAEPCWSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cccc3cn(C)nc32)no1 ZINC001211436323 1093493780 /nfs/dbraw/zinc/49/37/80/1093493780.db2.gz INDMNRLVPLMTQH-UHFFFAOYSA-N 0 3 323.400 3.122 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1OC ZINC001213776859 1093659030 /nfs/dbraw/zinc/65/90/30/1093659030.db2.gz SJJCOZYOPMHOBD-IAGOWNOFSA-N 0 3 312.498 3.351 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@H](OC)C1 ZINC001213949229 1093685222 /nfs/dbraw/zinc/68/52/22/1093685222.db2.gz SKXYKQPNVOEWON-ZHALLVOQSA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001214156245 1093723305 /nfs/dbraw/zinc/72/33/05/1093723305.db2.gz KNEUJQPOFDVEDV-NVXWUHKLSA-N 0 3 318.461 3.413 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001214727430 1093840627 /nfs/dbraw/zinc/84/06/27/1093840627.db2.gz AIXVWDHJUJOJHS-RHSMWYFYSA-N 0 3 318.436 3.365 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001214741639 1093844710 /nfs/dbraw/zinc/84/47/10/1093844710.db2.gz VKRGPTYDOOBLFO-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215472218 1093988407 /nfs/dbraw/zinc/98/84/07/1093988407.db2.gz UEUHJSYBZAZCCL-QFUCXCTJSA-N 0 3 324.468 3.077 20 30 DGEDHN Cn1cc(Nc2cccc(CN3CCCCC3)c2F)c(C#N)n1 ZINC001215675715 1094030393 /nfs/dbraw/zinc/03/03/93/1094030393.db2.gz PDOPPAQIXUROKE-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135184422 1094433830 /nfs/dbraw/zinc/43/38/30/1094433830.db2.gz HNVKMMYEYKVDAY-QWHCGFSZSA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC001135185025 1094434935 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C=CCCC(=O)NC1CC2(CC(NC/C(Cl)=C\Cl)C2)C1 ZINC001120812726 1094530338 /nfs/dbraw/zinc/53/03/38/1094530338.db2.gz GRBFYIOODYHGKR-PKNBQFBNSA-N 0 3 317.260 3.289 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103401917 1094611374 /nfs/dbraw/zinc/61/13/74/1094611374.db2.gz SOJZCFFYPRPAQY-FRFSOERESA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001086768534 1094670998 /nfs/dbraw/zinc/67/09/98/1094670998.db2.gz MCIKLNNVVFGRLI-GXTWGEPZSA-N 0 3 322.836 3.009 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001086794858 1094688148 /nfs/dbraw/zinc/68/81/48/1094688148.db2.gz NZOGADSFYRJBAB-SOUVJXGZSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1C ZINC001103828324 1094762875 /nfs/dbraw/zinc/76/28/75/1094762875.db2.gz VURUSHGOOVYZTG-TZMCWYRMSA-N 0 3 324.827 3.266 20 30 DGEDHN CCC[C@H](C#Cc1ccccc1)Oc1ccc2c(n1)CCNC2 ZINC001218438232 1094773435 /nfs/dbraw/zinc/77/34/35/1094773435.db2.gz HPWIKWKBTHAGCA-GOSISDBHSA-N 0 3 306.409 3.327 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ncc(C(C)=O)s1 ZINC001121882215 1094810327 /nfs/dbraw/zinc/81/03/27/1094810327.db2.gz WQQGWVMYBYPWKW-LBPRGKRZSA-N 0 3 311.451 3.362 20 30 DGEDHN CCCc1cc(C)nc(O[C@@H]2CNCc3ccccc32)c1C#N ZINC001218487602 1094816037 /nfs/dbraw/zinc/81/60/37/1094816037.db2.gz ORLWNKBUVCXMMS-GOSISDBHSA-N 0 3 307.397 3.438 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1nc(C)nc2sccc21 ZINC001218518508 1094827016 /nfs/dbraw/zinc/82/70/16/1094827016.db2.gz QXHYYSZKXPWPLF-ZDUSSCGKSA-N 0 3 318.446 3.402 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC001337068959 1094838955 /nfs/dbraw/zinc/83/89/55/1094838955.db2.gz MMGZXZJBTZEQBG-GJZGRUSLSA-N 0 3 324.877 3.163 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC001337068960 1094839671 /nfs/dbraw/zinc/83/96/71/1094839671.db2.gz MMGZXZJBTZEQBG-HUUCEWRRSA-N 0 3 324.877 3.163 20 30 DGEDHN N#Cc1cc(NC(=O)c2cccc3c2CNC3)ccc1C1CC1 ZINC001337077613 1094844824 /nfs/dbraw/zinc/84/48/24/1094844824.db2.gz HMKLHTOZMUYLLT-UHFFFAOYSA-N 0 3 303.365 3.291 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC001104038497 1094845681 /nfs/dbraw/zinc/84/56/81/1094845681.db2.gz SKMKONFQLRFNJL-MNLARUNXSA-N 0 3 324.896 3.249 20 30 DGEDHN N#Cc1cc[nH]c1NC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001218654485 1094846327 /nfs/dbraw/zinc/84/63/27/1094846327.db2.gz LVHUHTSWULAGLV-GFCCVEGCSA-N 0 3 323.183 3.222 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC001337086385 1094848071 /nfs/dbraw/zinc/84/80/71/1094848071.db2.gz DFLSTDCVBIKMSA-WBVHZDCISA-N 0 3 324.827 3.219 20 30 DGEDHN CN[C@H](C(=O)Nc1ccc([C@@H](C)C#N)cc1)[C@@H](C)OC(C)(C)C ZINC001218870699 1094893494 /nfs/dbraw/zinc/89/34/94/1094893494.db2.gz ASWZGVGGXXGRFB-ZENOOKHLSA-N 0 3 317.433 3.044 20 30 DGEDHN Cc1cc(C#N)c(F)cc1NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001219112453 1094940488 /nfs/dbraw/zinc/94/04/88/1094940488.db2.gz HQYIXPVPRQYVKS-INIZCTEOSA-N 0 3 323.371 3.049 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CC2CCCCC2)[C@@H](O)C1 ZINC001219138937 1094944570 /nfs/dbraw/zinc/94/45/70/1094944570.db2.gz CLLDWIZWYFDXRI-MSOLQXFVSA-N 0 3 324.509 3.089 20 30 DGEDHN N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2C[C@@H](F)CCN2)cc1 ZINC001219271606 1094958331 /nfs/dbraw/zinc/95/83/31/1094958331.db2.gz UVLYTTUGACWMIQ-YJBOKZPZSA-N 0 3 323.371 3.254 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2F)cc1 ZINC001122459531 1094979419 /nfs/dbraw/zinc/97/94/19/1094979419.db2.gz PZMSZSKCRXZQHG-QOWREQOWSA-N 0 3 302.349 3.205 20 30 DGEDHN CC(C)(C)CCN1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC001136348255 1094998848 /nfs/dbraw/zinc/99/88/48/1094998848.db2.gz CKMHSKGAYVCYOF-UHFFFAOYSA-N 0 3 319.493 3.431 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)CCCCCC)C1 ZINC001111941024 1095015691 /nfs/dbraw/zinc/01/56/91/1095015691.db2.gz AVZSGMPZWHBGAJ-BQFCYCMXSA-N 0 3 310.457 3.452 20 30 DGEDHN C#Cc1ccc(CNC(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)cc1 ZINC001220382522 1095090119 /nfs/dbraw/zinc/09/01/19/1095090119.db2.gz ZJPMZXHTAIHVKB-UXHICEINSA-N 0 3 318.420 3.168 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001170997967 1095110748 /nfs/dbraw/zinc/11/07/48/1095110748.db2.gz NCRGCNJIAQZURE-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001123237235 1095196853 /nfs/dbraw/zinc/19/68/53/1095196853.db2.gz XRQDSRXUVSHHHF-FPMFFAJLSA-N 0 3 315.323 3.161 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3cc(C)no3)[C@@H]2C1 ZINC001221267067 1095227573 /nfs/dbraw/zinc/22/75/73/1095227573.db2.gz IWUCPTCVRWFTAH-HZPDHXFCSA-N 0 3 319.449 3.100 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)[C@H](C)SC)[C@@H]2C1 ZINC001221296727 1095237448 /nfs/dbraw/zinc/23/74/48/1095237448.db2.gz YONRIDGETRJWHG-ARFHVFGLSA-N 0 3 312.523 3.241 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCSc1ccccc1 ZINC001123337191 1095246313 /nfs/dbraw/zinc/24/63/13/1095246313.db2.gz OIEDTRIOERTVQD-LBPRGKRZSA-N 0 3 319.817 3.432 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(C)s1 ZINC001123337895 1095246587 /nfs/dbraw/zinc/24/65/87/1095246587.db2.gz NVAKZWDDUAVHOE-CQSZACIVSA-N 0 3 301.415 3.472 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C[C@H](C)SC)CCCCC1 ZINC001115489126 1095248872 /nfs/dbraw/zinc/24/88/72/1095248872.db2.gz JFEIIELCMODTTG-ZDUSSCGKSA-N 0 3 318.914 3.289 20 30 DGEDHN O=C1C=C2CN(Cc3nc4ccccc4s3)CCC2S1 ZINC001136949942 1095250956 /nfs/dbraw/zinc/25/09/56/1095250956.db2.gz LXOMGOAXFXHFHX-GFCCVEGCSA-N 0 3 302.424 3.070 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221428945 1095265597 /nfs/dbraw/zinc/26/55/97/1095265597.db2.gz AKNOBHZESRAEFF-IAGOWNOFSA-N 0 3 318.486 3.180 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(C3CC3)CC2)CCCCC1 ZINC001115585143 1095287687 /nfs/dbraw/zinc/28/76/87/1095287687.db2.gz SKSPYYKQHZFVSS-UHFFFAOYSA-N 0 3 310.869 3.338 20 30 DGEDHN Cc1noc(C)c1[C@@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001123477632 1095312709 /nfs/dbraw/zinc/31/27/09/1095312709.db2.gz TZXYUTXOTVNFJU-QPUJVOFHSA-N 0 3 319.311 3.335 20 30 DGEDHN C#CC1CCN(Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143697415 1095345651 /nfs/dbraw/zinc/34/56/51/1095345651.db2.gz MELXTKXNIFTCMS-UHFFFAOYSA-N 0 3 315.417 3.274 20 30 DGEDHN N#Cc1cccc(Cl)c1CN1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001143734299 1095355050 /nfs/dbraw/zinc/35/50/50/1095355050.db2.gz IAGAWFPFOGBQRZ-IRXDYDNUSA-N 0 3 321.827 3.220 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)CCC=C(C)C)[C@@H]2C1 ZINC001221827271 1095366073 /nfs/dbraw/zinc/36/60/73/1095366073.db2.gz CWWARAUMADLXMB-GUDVDZBRSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)[nH]c2C)CCCCC1 ZINC001115749820 1095366113 /nfs/dbraw/zinc/36/61/13/1095366113.db2.gz AAUSVJMFLCGPOL-UHFFFAOYSA-N 0 3 323.868 3.406 20 30 DGEDHN CN(C(=O)CN1CC[C@@H]2CCCC[C@@H]2C1)C1(C#N)CCCCC1 ZINC001115816807 1095401484 /nfs/dbraw/zinc/40/14/84/1095401484.db2.gz FKTBQFJONYVTDA-DLBZAZTESA-N 0 3 317.477 3.183 20 30 DGEDHN O=C1C=C2CN(Cc3c(Cl)ccc(F)c3F)CCC2S1 ZINC001143948931 1095452764 /nfs/dbraw/zinc/45/27/64/1095452764.db2.gz FTJBGCWWZPJDSQ-LBPRGKRZSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CC[C@H](C)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001144021151 1095478091 /nfs/dbraw/zinc/47/80/91/1095478091.db2.gz KRCNENIHRJRANS-KRWDZBQOSA-N 0 3 314.473 3.270 20 30 DGEDHN O=C1C=C2CN(Cc3cc(Cl)c(F)cc3F)CCC2S1 ZINC001144125020 1095523742 /nfs/dbraw/zinc/52/37/42/1095523742.db2.gz ATIZCHFUAPTDBA-CYBMUJFWSA-N 0 3 315.772 3.392 20 30 DGEDHN COc1cccc(C[C@H]2CCCN(Cc3ccc(C#N)cn3)C2)c1 ZINC001144166673 1095545136 /nfs/dbraw/zinc/54/51/36/1095545136.db2.gz PZOVLUCKRXGRRC-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN C=C(C)CN(CC)Cc1cc(I)c[nH]1 ZINC001144401443 1095641864 /nfs/dbraw/zinc/64/18/64/1095641864.db2.gz FJKUNJNFXKYKKT-UHFFFAOYSA-N 0 3 304.175 3.017 20 30 DGEDHN N=C(Nc1ccc2c(c1)OCO2)c1ccc2cc(O)ccc2c1 ZINC001171182446 1095660691 /nfs/dbraw/zinc/66/06/91/1095660691.db2.gz NYXLGXLPGZJOAM-UHFFFAOYSA-N 0 3 306.321 3.311 20 30 DGEDHN C[S@@](=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC001116819818 1095669144 /nfs/dbraw/zinc/66/91/44/1095669144.db2.gz KICGTUZBYHEYQS-XMSQKQJNSA-N 0 3 310.422 3.073 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](CO)c1ccccc1Cl ZINC001171197823 1095704965 /nfs/dbraw/zinc/70/49/65/1095704965.db2.gz CZGWRXUICWBRNX-FZKQIMNGSA-N 0 3 314.816 3.466 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1cccc(C)c1F)CC2 ZINC001137674808 1095707265 /nfs/dbraw/zinc/70/72/65/1095707265.db2.gz HOWPAHYCJADTIF-UHFFFAOYSA-N 0 3 316.420 3.277 20 30 DGEDHN C#Cc1ccc(CN(CC)CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001144578830 1095715504 /nfs/dbraw/zinc/71/55/04/1095715504.db2.gz RGNLXWIUVVTFLS-UHFFFAOYSA-N 0 3 316.445 3.357 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](Oc3ncccc3C)C2)cc1 ZINC001144581498 1095716791 /nfs/dbraw/zinc/71/67/91/1095716791.db2.gz SUUSBWAKXORQST-IBGZPJMESA-N 0 3 306.409 3.415 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC001339787511 1095730788 /nfs/dbraw/zinc/73/07/88/1095730788.db2.gz GDLWMVFZEOMBNB-YOEHRIQHSA-N 0 3 304.434 3.335 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H]1CCc2ccccc2C1=O ZINC001171201739 1095737704 /nfs/dbraw/zinc/73/77/04/1095737704.db2.gz QMJGXQSEFIZBJG-IFXJQAMLSA-N 0 3 304.393 3.277 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2c(C)cccc2C)C1 ZINC001137854478 1095766871 /nfs/dbraw/zinc/76/68/71/1095766871.db2.gz YCTJMHASBSTDGI-INIZCTEOSA-N 0 3 302.418 3.180 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1CC(F)(F)F ZINC001339967033 1095794534 /nfs/dbraw/zinc/79/45/34/1095794534.db2.gz ACOCEZRKSMDYQD-LBPRGKRZSA-N 0 3 300.324 3.414 20 30 DGEDHN N#Cc1ncccc1CO[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223057921 1095848372 /nfs/dbraw/zinc/84/83/72/1095848372.db2.gz HVKQCVGMBFBLDC-GOSISDBHSA-N 0 3 307.397 3.134 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001091272359 1095863540 /nfs/dbraw/zinc/86/35/40/1095863540.db2.gz IHMARXRBGSFJHH-UHFFFAOYSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC001276876330 1095915751 /nfs/dbraw/zinc/91/57/51/1095915751.db2.gz SYFYYARTZCBZSC-AWEZNQCLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1CCC(F)CC1 ZINC001276887290 1095958736 /nfs/dbraw/zinc/95/87/36/1095958736.db2.gz BDJRTYRGNPAOLJ-IDMDMSBLSA-N 0 3 308.441 3.204 20 30 DGEDHN N#Cc1ccc(CCOC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC001118459873 1096016077 /nfs/dbraw/zinc/01/60/77/1096016077.db2.gz GQHSVQXUQVOCMO-SFHVURJKSA-N 0 3 312.413 3.051 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(N2CCCC2)c1 ZINC001340951371 1096078654 /nfs/dbraw/zinc/07/86/54/1096078654.db2.gz CPNUKMPJSCRBDH-MRXNPFEDSA-N 0 3 301.434 3.217 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](CC)C(C)(C)C)C[C@@H]21 ZINC001223894250 1096089766 /nfs/dbraw/zinc/08/97/66/1096089766.db2.gz ASYDFYPEEAVRNE-SQNIBIBYSA-N 0 3 318.505 3.395 20 30 DGEDHN Cc1ncsc1CN1CCC2(CN(c3cccc(C#N)c3)C2)C1 ZINC001276954279 1096168447 /nfs/dbraw/zinc/16/84/47/1096168447.db2.gz XOTYZEAGZSZEIL-UHFFFAOYSA-N 0 3 324.453 3.036 20 30 DGEDHN C[C@@H](CCC#N)CN1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001119450195 1096205196 /nfs/dbraw/zinc/20/51/96/1096205196.db2.gz DRMGEOXDJJCKPL-HNNXBMFYSA-N 0 3 321.465 3.259 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cn(CC)nc2-c2ccccc2)C1 ZINC001119512327 1096217117 /nfs/dbraw/zinc/21/71/17/1096217117.db2.gz CDFNRDFIUTXOAQ-GOSISDBHSA-N 0 3 311.429 3.347 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001276981080 1096238378 /nfs/dbraw/zinc/23/83/78/1096238378.db2.gz ZHHIBCGEPAHCLX-CZUORRHYSA-N 0 3 306.837 3.210 20 30 DGEDHN C#CCN1CCC(CNC(=O)CC(C2CCC2)C2CCC2)CC1 ZINC001224569183 1096241252 /nfs/dbraw/zinc/24/12/52/1096241252.db2.gz HPNCKRJFKMYJSY-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224579206 1096242300 /nfs/dbraw/zinc/24/23/00/1096242300.db2.gz AHEALGCHCHCMIR-RTBURBONSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224681865 1096263505 /nfs/dbraw/zinc/26/35/05/1096263505.db2.gz CFUUWJVVPXEPRB-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CCC(CNC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC001224745556 1096276458 /nfs/dbraw/zinc/27/64/58/1096276458.db2.gz BLYFZGSNLHSEKN-QGZVFWFLSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001224837079 1096298424 /nfs/dbraw/zinc/29/84/24/1096298424.db2.gz YGJMAPFNRYVRTQ-KRWDZBQOSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148128979 1096317726 /nfs/dbraw/zinc/31/77/26/1096317726.db2.gz CLLIOUUKZJMEJS-HNNXBMFYSA-N 0 3 318.486 3.385 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001225162723 1096356892 /nfs/dbraw/zinc/35/68/92/1096356892.db2.gz LEIXLNMCGDDHFP-KRWDZBQOSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)CCCCCC)C2)C1 ZINC001148476961 1096374514 /nfs/dbraw/zinc/37/45/14/1096374514.db2.gz CFVYHMRCBCEOKX-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001277046425 1096440126 /nfs/dbraw/zinc/44/01/26/1096440126.db2.gz RTACETAEJKFKCH-AVGNSLFASA-N 0 3 312.866 3.089 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C=C)c3ccccc3)C2)C1 ZINC001148812176 1096451363 /nfs/dbraw/zinc/45/13/63/1096451363.db2.gz PCULYIVRXLQQOC-QGZVFWFLSA-N 0 3 310.441 3.067 20 30 DGEDHN CC(C)c1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001148846536 1096457437 /nfs/dbraw/zinc/45/74/37/1096457437.db2.gz XWQNJXKXRBLGMZ-UHFFFAOYSA-N 0 3 321.424 3.201 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@](C)(CC)CCCCC)CC1 ZINC001225603400 1096479808 /nfs/dbraw/zinc/47/98/08/1096479808.db2.gz AIBCFPNBLBPGMT-LJQANCHMSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001225617304 1096483839 /nfs/dbraw/zinc/48/38/39/1096483839.db2.gz HHNQNXNFZIQBIQ-HXUWFJFHSA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001225617303 1096484014 /nfs/dbraw/zinc/48/40/14/1096484014.db2.gz HHNQNXNFZIQBIQ-FQEVSTJZSA-N 0 3 316.489 3.365 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C(F)=C3CCCC3)C2)CC1 ZINC001086916933 1096507967 /nfs/dbraw/zinc/50/79/67/1096507967.db2.gz VXCMGHUFBADTDA-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccsc3C)C2)CC1 ZINC001086919700 1096509148 /nfs/dbraw/zinc/50/91/48/1096509148.db2.gz WSKGUGHGJXJHQE-AWEZNQCLSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC(C)(C)C3CC3)C2)CC1 ZINC001086921561 1096509717 /nfs/dbraw/zinc/50/97/17/1096509717.db2.gz TVWKEVAEYGTJSX-MRXNPFEDSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC=CCC3)C2)CC1 ZINC001086937107 1096513528 /nfs/dbraw/zinc/51/35/28/1096513528.db2.gz GUXVCPKCGKBZEO-MSOLQXFVSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001086941210 1096515206 /nfs/dbraw/zinc/51/52/06/1096515206.db2.gz MPZGZXXJLLIXNM-IAGOWNOFSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001091910354 1096547141 /nfs/dbraw/zinc/54/71/41/1096547141.db2.gz UIXOKXIZZONPBA-RKVPGOIHSA-N 0 3 310.457 3.117 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001225921464 1096564200 /nfs/dbraw/zinc/56/42/00/1096564200.db2.gz SGSRTLFDSUKTMN-CHWSQXEVSA-N 0 3 317.260 3.126 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C)CCC(C)CC3)C[C@]2(C)C1 ZINC001092309653 1096601479 /nfs/dbraw/zinc/60/14/79/1096601479.db2.gz USKXKYCZTHWSLF-YTQPIUFNSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001226518087 1096711066 /nfs/dbraw/zinc/71/10/66/1096711066.db2.gz BHHFVOLLPYOXIN-HNNXBMFYSA-N 0 3 316.445 3.303 20 30 DGEDHN N#Cc1cccc(O)c1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001226517871 1096711623 /nfs/dbraw/zinc/71/16/23/1096711623.db2.gz KSPWVIXXALZVNG-KRWDZBQOSA-N 0 3 308.381 3.307 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001226522785 1096712455 /nfs/dbraw/zinc/71/24/55/1096712455.db2.gz IQBSNETXDJCASZ-HUUCEWRRSA-N 0 3 307.463 3.016 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)s1 ZINC001226523431 1096712597 /nfs/dbraw/zinc/71/25/97/1096712597.db2.gz VJWNKJZQCFSEGW-HZPDHXFCSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226522865 1096712662 /nfs/dbraw/zinc/71/26/62/1096712662.db2.gz LYVURTWFWHNVGH-HUUCEWRRSA-N 0 3 307.463 3.016 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2cc3ccccc3o2)CC1 ZINC001227084765 1096864028 /nfs/dbraw/zinc/86/40/28/1096864028.db2.gz IUEJYASXUBJMBG-UHFFFAOYSA-N 0 3 324.424 3.317 20 30 DGEDHN N#Cc1cccc([C@@H](O)CNC2(c3ccccc3F)CCC2)c1 ZINC001171520929 1096916965 /nfs/dbraw/zinc/91/69/65/1096916965.db2.gz DVNCYDZNYSDBTI-SFHVURJKSA-N 0 3 310.372 3.400 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001227527163 1096944265 /nfs/dbraw/zinc/94/42/65/1096944265.db2.gz HRUDBTPPERDXGO-UHFFFAOYSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001227925864 1097014455 /nfs/dbraw/zinc/01/44/55/1097014455.db2.gz SCFKDTWIAUJYIZ-HZPDHXFCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001228111473 1097052773 /nfs/dbraw/zinc/05/27/73/1097052773.db2.gz BLZNHCRXQVMBTE-KBRIMQKVSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228123872 1097055208 /nfs/dbraw/zinc/05/52/08/1097055208.db2.gz SPUWADDCTCFWTB-NUEKZKHPSA-N 0 3 321.490 3.262 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001277285332 1097079801 /nfs/dbraw/zinc/07/98/01/1097079801.db2.gz OIUCUPWSJYNRRR-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN Cc1ccnc(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC001228308461 1097094815 /nfs/dbraw/zinc/09/48/15/1097094815.db2.gz HSRVMENDUUVTAW-YJBOKZPZSA-N 0 3 307.397 3.161 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCNCc2nc(C)cs2)C1 ZINC001277292055 1097104660 /nfs/dbraw/zinc/10/46/60/1097104660.db2.gz UQDNTPZJJKAXBX-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN CC(C)COc1cc(CN[C@H](C)Cc2ccc(C#N)cc2)ncn1 ZINC001172300141 1097109856 /nfs/dbraw/zinc/10/98/56/1097109856.db2.gz RIHXMLZOLDUPPX-OAHLLOKOSA-N 0 3 324.428 3.104 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCC(=O)Cc1ccc(F)cc1 ZINC001172299604 1097109985 /nfs/dbraw/zinc/10/99/85/1097109985.db2.gz MGRSGNJYEWTLDN-CQSZACIVSA-N 0 3 310.372 3.030 20 30 DGEDHN CCCCCCC[C@H](CC)N1CCN(c2ncncn2)CC1 ZINC001172362312 1097126595 /nfs/dbraw/zinc/12/65/95/1097126595.db2.gz VGNQPKMZAUAAHN-INIZCTEOSA-N 0 3 305.470 3.133 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(C)(F)F)CC1 ZINC001228639775 1097156835 /nfs/dbraw/zinc/15/68/35/1097156835.db2.gz MHLQORHLNXRLOT-VXGBXAGGSA-N 0 3 320.811 3.191 20 30 DGEDHN COc1ccccc1Cn1cnc(CN[C@@H](C)CCCC#N)c1 ZINC001172491858 1097168039 /nfs/dbraw/zinc/16/80/39/1097168039.db2.gz KDRAZKSXJRNILV-HNNXBMFYSA-N 0 3 312.417 3.112 20 30 DGEDHN C[C@@H](CCCC#N)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172508267 1097173992 /nfs/dbraw/zinc/17/39/92/1097173992.db2.gz BZZADWXUGFDKIQ-KKUMJFAQSA-N 0 3 309.454 3.398 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1sc(C)nc1C)C2 ZINC001206166560 1097198671 /nfs/dbraw/zinc/19/86/71/1097198671.db2.gz VPWCKNLGOSKAGF-DOTOQJQBSA-N 0 3 322.474 3.086 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001229036546 1097241945 /nfs/dbraw/zinc/24/19/45/1097241945.db2.gz USFNAXSIEYDPLL-IBGZPJMESA-N 0 3 317.392 3.473 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1ccco1 ZINC001229083502 1097252264 /nfs/dbraw/zinc/25/22/64/1097252264.db2.gz DHRDGFNTAKGGGR-APHBMKBZSA-N 0 3 324.852 3.228 20 30 DGEDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)NCc1ccccc1C#N ZINC001172955158 1097301748 /nfs/dbraw/zinc/30/17/48/1097301748.db2.gz SHYMFCACORZARY-AWEZNQCLSA-N 0 3 317.433 3.293 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001277382804 1097311047 /nfs/dbraw/zinc/31/10/47/1097311047.db2.gz RXAGLLNIMWEBSE-WBMJQRKESA-N 0 3 310.869 3.098 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC(C)C)CC(C)C)C2 ZINC001110168865 1097404817 /nfs/dbraw/zinc/40/48/17/1097404817.db2.gz FFCAAWXRDFKOTQ-QYZOEREBSA-N 0 3 318.505 3.440 20 30 DGEDHN C=CCOC1CCC(N2Cc3cccc(C(=O)OC)c3C2)CC1 ZINC001173328021 1097418185 /nfs/dbraw/zinc/41/81/85/1097418185.db2.gz XVGJFCNQOYTKJS-UHFFFAOYSA-N 0 3 315.413 3.303 20 30 DGEDHN N#CCC1CCC(N2CC3(CCN3Cc3ccccc3)C2)CC1 ZINC001173339137 1097422154 /nfs/dbraw/zinc/42/21/54/1097422154.db2.gz MPJMVUKOUBTZSL-UHFFFAOYSA-N 0 3 309.457 3.419 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001230052742 1097438184 /nfs/dbraw/zinc/43/81/84/1097438184.db2.gz JCVLQSQRWOTWKQ-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCCF)c1ccccc1 ZINC001230220953 1097459561 /nfs/dbraw/zinc/45/95/61/1097459561.db2.gz FCHHZKOQSYQIKP-RCCFBDPRSA-N 0 3 318.436 3.333 20 30 DGEDHN COC(=O)c1cc(Nc2ccccc2CN(C)C)ccc1C#N ZINC001173930638 1097556928 /nfs/dbraw/zinc/55/69/28/1097556928.db2.gz KWOQRJBASRXESK-UHFFFAOYSA-N 0 3 309.369 3.150 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCc1ccco1 ZINC001230765919 1097577661 /nfs/dbraw/zinc/57/76/61/1097577661.db2.gz NLYSMSSQXWNSPP-KRWDZBQOSA-N 0 3 318.461 3.491 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230824307 1097598819 /nfs/dbraw/zinc/59/88/19/1097598819.db2.gz WVIAEYPTNBYLGP-INIZCTEOSA-N 0 3 312.523 3.407 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCCO1 ZINC001230838706 1097604117 /nfs/dbraw/zinc/60/41/17/1097604117.db2.gz RBEUILSPXAOVFS-ROUUACIJSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCc1ccccc1 ZINC001231123500 1097675117 /nfs/dbraw/zinc/67/51/17/1097675117.db2.gz UTVOCKCPQWAPLR-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001231130401 1097677113 /nfs/dbraw/zinc/67/71/13/1097677113.db2.gz IKYROBTVOMHKQI-AWEZNQCLSA-N 0 3 309.479 3.260 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)CCCC)C2)CC1 ZINC001277490364 1097679946 /nfs/dbraw/zinc/67/99/46/1097679946.db2.gz QFKZVXCBNFPYDU-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](CCC)C(C)C)C2)CC1 ZINC001277495443 1097693182 /nfs/dbraw/zinc/69/31/82/1097693182.db2.gz CQTUBYDQNZHHFI-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001231323107 1097722115 /nfs/dbraw/zinc/72/21/15/1097722115.db2.gz YWJDARRSZJVJOZ-INIZCTEOSA-N 0 3 320.481 3.143 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001231379716 1097734147 /nfs/dbraw/zinc/73/41/47/1097734147.db2.gz ZSOUPSZFULPOTI-SFHVURJKSA-N 0 3 315.461 3.283 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC1CCOCC1 ZINC001231388980 1097736264 /nfs/dbraw/zinc/73/62/64/1097736264.db2.gz SZYOJZYSNVVONU-SFHVURJKSA-N 0 3 324.509 3.306 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC1CCOCC1 ZINC001231388979 1097736703 /nfs/dbraw/zinc/73/67/03/1097736703.db2.gz SZYOJZYSNVVONU-GOSISDBHSA-N 0 3 324.509 3.306 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001231407025 1097741620 /nfs/dbraw/zinc/74/16/20/1097741620.db2.gz FANQIFDCYFZEFM-MRXNPFEDSA-N 0 3 316.449 3.003 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cc(C)c(C)cc2C)C1 ZINC001231484868 1097758481 /nfs/dbraw/zinc/75/84/81/1097758481.db2.gz ACUYSEAVAKXGRJ-SFHVURJKSA-N 0 3 316.445 3.488 20 30 DGEDHN COc1cccc(CCN(C)Cc2ccc(C#N)cc2OC)c1 ZINC001231619727 1097793145 /nfs/dbraw/zinc/79/31/45/1097793145.db2.gz HXTCWQLHLOGEEL-UHFFFAOYSA-N 0 3 310.397 3.250 20 30 DGEDHN O=C1C=C2CN(Cc3coc(-c4ccccc4)n3)CCC2S1 ZINC001231629510 1097795458 /nfs/dbraw/zinc/79/54/58/1097795458.db2.gz ONGNSKOJMNFPEF-HNNXBMFYSA-N 0 3 312.394 3.116 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)c(F)cc1Cl ZINC001174767576 1097832312 /nfs/dbraw/zinc/83/23/12/1097832312.db2.gz DLBAIZQJWBSULL-UHFFFAOYSA-N 0 3 319.207 3.250 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1ncc(C)s1 ZINC001174681302 1097798202 /nfs/dbraw/zinc/79/82/02/1097798202.db2.gz BFHWCOYFAZOOPB-ZDUSSCGKSA-N 0 3 323.506 3.428 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001174650405 1097803616 /nfs/dbraw/zinc/80/36/16/1097803616.db2.gz RFQFHXTUFLCFEL-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN C#Cc1cccc(CN2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC001231664086 1097808754 /nfs/dbraw/zinc/80/87/54/1097808754.db2.gz VRTNXGZVQNHLCF-UHFFFAOYSA-N 0 3 314.429 3.015 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3ccc(OC)cn3)C2)c1 ZINC001231663163 1097809272 /nfs/dbraw/zinc/80/92/72/1097809272.db2.gz KJUAFAOFTCHBLE-LJQANCHMSA-N 0 3 322.408 3.115 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCc1sccc1C ZINC001174760897 1097844346 /nfs/dbraw/zinc/84/43/46/1097844346.db2.gz IRYBXVZETQWGBD-UHFFFAOYSA-N 0 3 314.882 3.228 20 30 DGEDHN C#CCN1CCN(Cc2ccccc2-c2ccccc2C)CC1 ZINC001231809063 1097851699 /nfs/dbraw/zinc/85/16/99/1097851699.db2.gz DIAVJMDWPQOSLP-UHFFFAOYSA-N 0 3 304.437 3.413 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1coc2ccc(F)cc21 ZINC001174795826 1097855386 /nfs/dbraw/zinc/85/53/86/1097855386.db2.gz QBYLGMHDQWZSKR-UHFFFAOYSA-N 0 3 310.756 3.034 20 30 DGEDHN O=C1C=C2CN(Cc3cccn3Cc3ccccc3)CCC2S1 ZINC001232235299 1097977135 /nfs/dbraw/zinc/97/71/35/1097977135.db2.gz JOIWZUZEJCYPAI-GOSISDBHSA-N 0 3 324.449 3.311 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCOc1ccc(C)cc1 ZINC001175292345 1097991410 /nfs/dbraw/zinc/99/14/10/1097991410.db2.gz WEGCQFLQOQSULN-UHFFFAOYSA-N 0 3 324.852 3.002 20 30 DGEDHN CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232678983 1098113597 /nfs/dbraw/zinc/11/35/97/1098113597.db2.gz WYBXIABZRDLTDM-ZWKOTPCHSA-N 0 3 313.445 3.103 20 30 DGEDHN CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232678983 1098113599 /nfs/dbraw/zinc/11/35/99/1098113599.db2.gz WYBXIABZRDLTDM-ZWKOTPCHSA-N 0 3 313.445 3.103 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ncc(C)cc3C#N)cc2)CC1 ZINC001175783553 1098169754 /nfs/dbraw/zinc/16/97/54/1098169754.db2.gz NCBMVJXVFYDACX-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001233692900 1098409444 /nfs/dbraw/zinc/40/94/44/1098409444.db2.gz IMFNBVLXFJMGKH-INIZCTEOSA-N 0 3 316.449 3.003 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233695942 1098410781 /nfs/dbraw/zinc/41/07/81/1098410781.db2.gz URAYCFVOIRFARK-ZWKOTPCHSA-N 0 3 317.477 3.328 20 30 DGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001176798459 1098443569 /nfs/dbraw/zinc/44/35/69/1098443569.db2.gz PMZMRGNJMVSXQX-ZDUSSCGKSA-N 0 3 305.378 3.210 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1CCC(O)CC1 ZINC001234003188 1098475076 /nfs/dbraw/zinc/47/50/76/1098475076.db2.gz OSGARCKIUWKERR-ADKAHSJRSA-N 0 3 324.509 3.041 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]1C ZINC001177201606 1098489186 /nfs/dbraw/zinc/48/91/86/1098489186.db2.gz UMUFGYGANNHHCG-BBRMVZONSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1CC(OCC)C1 ZINC001234077602 1098491208 /nfs/dbraw/zinc/49/12/08/1098491208.db2.gz BWAIJOLVWWHGST-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144966 1098503886 /nfs/dbraw/zinc/50/38/86/1098503886.db2.gz YKHYIXWRASYJOY-WMLDXEAASA-N 0 3 323.396 3.263 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)CCc1ccccc1 ZINC001177296765 1098506365 /nfs/dbraw/zinc/50/63/65/1098506365.db2.gz UJINYKOSCVFVSD-HNNXBMFYSA-N 0 3 322.880 3.494 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCC1=CCCCC1 ZINC001234159635 1098507319 /nfs/dbraw/zinc/50/73/19/1098507319.db2.gz BHJHPFRVXDXUCN-GOSISDBHSA-N 0 3 302.462 3.069 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001234169451 1098508905 /nfs/dbraw/zinc/50/89/05/1098508905.db2.gz FQYPAGMMQWBDOV-QUCCMNQESA-N 0 3 324.468 3.256 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001234169452 1098508932 /nfs/dbraw/zinc/50/89/32/1098508932.db2.gz FQYPAGMMQWBDOV-UYAOXDASSA-N 0 3 324.468 3.256 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N(CCN(C)C)C1CCCC1 ZINC001234224994 1098517618 /nfs/dbraw/zinc/51/76/18/1098517618.db2.gz FLYLXUGLMRGXSG-UHFFFAOYSA-N 0 3 309.498 3.495 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1cc2ccccc2o1 ZINC001277845996 1098534840 /nfs/dbraw/zinc/53/48/40/1098534840.db2.gz OTIIELJGOIZISN-KRWDZBQOSA-N 0 3 324.424 3.317 20 30 DGEDHN C=C[C@H](CC(=O)OC(C)(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234420876 1098551779 /nfs/dbraw/zinc/55/17/79/1098551779.db2.gz XYWDUNFEVOGWSU-OAHLLOKOSA-N 0 3 317.429 3.340 20 30 DGEDHN N#Cc1ccccc1CNCCCCCCNC(=O)CC1CC1 ZINC001177743652 1098598215 /nfs/dbraw/zinc/59/82/15/1098598215.db2.gz WNWSDLIYARRZKV-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cnc(C2CC2)s1 ZINC001177904183 1098643160 /nfs/dbraw/zinc/64/31/60/1098643160.db2.gz NPTBVOJRZLEDHJ-SNVBAGLBSA-N 0 3 303.412 3.403 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1ncnc2sccc21 ZINC001177904279 1098643545 /nfs/dbraw/zinc/64/35/45/1098643545.db2.gz OAOATQFTEGDFNY-VIFPVBQESA-N 0 3 314.395 3.074 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235170153 1098851957 /nfs/dbraw/zinc/85/19/57/1098851957.db2.gz FDDDFBHCUAOYTI-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN CC[C@H](C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178566546 1098876126 /nfs/dbraw/zinc/87/61/26/1098876126.db2.gz GENMAQUKKRJTSZ-LNLFQRSKSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC/C=C\CC)CCC1 ZINC001235210451 1098883044 /nfs/dbraw/zinc/88/30/44/1098883044.db2.gz SRRKSRWXPLNBMK-JTGQJZMRSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CCC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001178599453 1098884224 /nfs/dbraw/zinc/88/42/24/1098884224.db2.gz WJOFYUXJXPTYJE-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COCCCCCCCC ZINC001235376998 1098985754 /nfs/dbraw/zinc/98/57/54/1098985754.db2.gz UEPUHNDAXKYMGM-SFHVURJKSA-N 0 3 324.509 3.472 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001235378259 1098988099 /nfs/dbraw/zinc/98/80/99/1098988099.db2.gz YPPLNKHOIQKVDI-GOSISDBHSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCC(=O)NCCCN(C)Cc1ccc(Cl)c(F)c1 ZINC001235437241 1099034460 /nfs/dbraw/zinc/03/44/60/1099034460.db2.gz XBRLIOAYJATYIX-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN CC[C@H](F)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001179268876 1099046375 /nfs/dbraw/zinc/04/63/75/1099046375.db2.gz CSEXRJPUZAPHCT-KRWDZBQOSA-N 0 3 319.424 3.073 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001235469491 1099054564 /nfs/dbraw/zinc/05/45/64/1099054564.db2.gz FQXVCGYLFIKSDX-ZFWWWQNUSA-N 0 3 317.433 3.053 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1CC#N ZINC001235522368 1099071165 /nfs/dbraw/zinc/07/11/65/1099071165.db2.gz DWCOGFCCFAZBTI-SFHVURJKSA-N 0 3 319.452 3.459 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179384539 1099088255 /nfs/dbraw/zinc/08/82/55/1099088255.db2.gz PQMYJJUMCAKUKG-AGIUHOORSA-N 0 3 319.276 3.487 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001179384714 1099088749 /nfs/dbraw/zinc/08/87/49/1099088749.db2.gz UWTLVPRXQVLGGU-ZNMIVQPWSA-N 0 3 321.490 3.133 20 30 DGEDHN CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179495579 1099124163 /nfs/dbraw/zinc/12/41/63/1099124163.db2.gz ZEVHWIJGVKZNOY-NBYUQASBSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCCn1cc(CNCC[C@@H]2C[C@H]2Cc2ccccc2)nn1 ZINC001179729934 1099186590 /nfs/dbraw/zinc/18/65/90/1099186590.db2.gz QOBWVKIEADOVSR-QZTJIDSGSA-N 0 3 310.445 3.213 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCC(C(F)(F)F)CC1 ZINC001179835799 1099215055 /nfs/dbraw/zinc/21/50/55/1099215055.db2.gz LWKYNCUSZUNSBG-RUXDESIVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001110237799 1099441650 /nfs/dbraw/zinc/44/16/50/1099441650.db2.gz FJOFJEBWMIMEJS-OAGGEKHMSA-N 0 3 302.418 3.361 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)Cc1ccc(Cl)cc1)N1CCCC1 ZINC001180576791 1099449550 /nfs/dbraw/zinc/44/95/50/1099449550.db2.gz BAVXRKZIVXICFM-CQSZACIVSA-N 0 3 319.836 3.067 20 30 DGEDHN Cc1ncc(C#N)c(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236232125 1099486176 /nfs/dbraw/zinc/48/61/76/1099486176.db2.gz LUCVBWGCCPVDCE-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)C2CCC(CCCC)CC2)C1 ZINC001187635580 1099563500 /nfs/dbraw/zinc/56/35/00/1099563500.db2.gz CAYCODTYPDQCES-DAWZGUTISA-N 0 3 304.478 3.197 20 30 DGEDHN Cc1ccc(CN2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)cc1 ZINC001187833885 1099623553 /nfs/dbraw/zinc/62/35/53/1099623553.db2.gz WWVKTPTXVCZKRT-RBUKOAKNSA-N 0 3 324.468 3.077 20 30 DGEDHN CCCCCCCN1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001188075290 1099679043 /nfs/dbraw/zinc/67/90/43/1099679043.db2.gz UUZFWANAHPONCO-LSDHHAIUSA-N 0 3 321.490 3.260 20 30 DGEDHN Cc1ccc(Cl)cc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001188711356 1099833430 /nfs/dbraw/zinc/83/34/30/1099833430.db2.gz PJYABNAEPQRPRU-CYBMUJFWSA-N 0 3 322.817 3.454 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001188821854 1099870809 /nfs/dbraw/zinc/87/08/09/1099870809.db2.gz VSFRTJJLBZLLPH-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1oc2ccccc2c1CC ZINC001278026771 1099871741 /nfs/dbraw/zinc/87/17/41/1099871741.db2.gz ZNKJWLQLQUSNSB-AWEZNQCLSA-N 0 3 312.413 3.069 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2cccc(N)c2)C1 ZINC001237222929 1100038216 /nfs/dbraw/zinc/03/82/16/1100038216.db2.gz ZSEKVQULUZZYNQ-GOSISDBHSA-N 0 3 307.397 3.184 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCC(C)C ZINC001151766671 1100067127 /nfs/dbraw/zinc/06/71/27/1100067127.db2.gz NPAAKQVDAXNPAK-MRXNPFEDSA-N 0 3 315.461 3.321 20 30 DGEDHN C#CC1CCN(Cc2c3ccc(C)cc3[nH]c2C(=O)OCC)CC1 ZINC001237315211 1100072961 /nfs/dbraw/zinc/07/29/61/1100072961.db2.gz GMMCUTJMVJDLOS-UHFFFAOYSA-N 0 3 324.424 3.498 20 30 DGEDHN Cn1cc(CN2CC[C@@H](C(F)(F)F)C2)c2cc(C#N)ccc21 ZINC001237469747 1100134218 /nfs/dbraw/zinc/13/42/18/1100134218.db2.gz ATDQIPSVUQKKQE-CYBMUJFWSA-N 0 3 307.319 3.434 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189903027 1100158354 /nfs/dbraw/zinc/15/83/54/1100158354.db2.gz RWTCUCRGYLTUOU-ADYPVZHUSA-N 0 3 310.441 3.036 20 30 DGEDHN CCCCCCCCS(=O)(=O)Nc1ccc2c(c1)CNC2 ZINC001237604672 1100185020 /nfs/dbraw/zinc/18/50/20/1100185020.db2.gz IDEWXPKFZFNNPZ-UHFFFAOYSA-N 0 3 310.463 3.392 20 30 DGEDHN C#CCN(C(=O)CCC1CC1)C1CCN(CC=C(C)C)CC1 ZINC001278136968 1100228009 /nfs/dbraw/zinc/22/80/09/1100228009.db2.gz FZYCWFONHUAYGB-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2ccccc2Cl)C1 ZINC001190546222 1100291603 /nfs/dbraw/zinc/29/16/03/1100291603.db2.gz CEBNCCQWMIMTNX-MRXNPFEDSA-N 0 3 320.864 3.381 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C=C)CC)C1CCN(CC=C(C)C)CC1 ZINC001278176845 1100328971 /nfs/dbraw/zinc/32/89/71/1100328971.db2.gz BJHBUONYVJFYJT-SFHVURJKSA-N 0 3 316.489 3.481 20 30 DGEDHN CC(C)Oc1c(F)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001238319747 1100415159 /nfs/dbraw/zinc/41/51/59/1100415159.db2.gz YERGLAXAYRWZJD-HNNXBMFYSA-N 0 3 321.417 3.387 20 30 DGEDHN COc1cc(CN(C)CCCC(=O)c2cccnc2)ccc1C#N ZINC001238409950 1100435263 /nfs/dbraw/zinc/43/52/63/1100435263.db2.gz SMJGMYPRARNHSD-UHFFFAOYSA-N 0 3 323.396 3.057 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238408159 1100435689 /nfs/dbraw/zinc/43/56/89/1100435689.db2.gz YXLLNEIWYSCFMQ-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(F)c(C4CC4)c3)CCC2S1 ZINC001238499217 1100460087 /nfs/dbraw/zinc/46/00/87/1100460087.db2.gz PCCHPHDCHPKHLY-INIZCTEOSA-N 0 3 303.402 3.477 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191717629 1100501796 /nfs/dbraw/zinc/50/17/96/1100501796.db2.gz AHSVDZFJWCVCPF-ZVBPTUHVSA-N 0 3 312.457 3.445 20 30 DGEDHN Cc1cc(NC(=O)N2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001191751463 1100512945 /nfs/dbraw/zinc/51/29/45/1100512945.db2.gz MYKJSFPWFMKOPQ-ZDUSSCGKSA-N 0 3 322.817 3.454 20 30 DGEDHN CCOC(=O)CC1CCN(Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238761675 1100521943 /nfs/dbraw/zinc/52/19/43/1100521943.db2.gz WBKVOXKVVYKJMK-UHFFFAOYSA-N 0 3 314.429 3.286 20 30 DGEDHN CCc1cc(CN2CCC(c3ncccn3)CC2)ccc1C#N ZINC001238770276 1100522828 /nfs/dbraw/zinc/52/28/28/1100522828.db2.gz AFDDZHRWMCISMN-UHFFFAOYSA-N 0 3 306.413 3.290 20 30 DGEDHN CCc1cc(CN(C)CCc2noc(C(C)C)n2)ccc1C#N ZINC001238766491 1100522858 /nfs/dbraw/zinc/52/28/58/1100522858.db2.gz MSYDFWXJCQYDCW-UHFFFAOYSA-N 0 3 312.417 3.302 20 30 DGEDHN CCc1cc(CN2CCC[C@@H](c3nnc(C)o3)C2)ccc1C#N ZINC001238769809 1100525041 /nfs/dbraw/zinc/52/50/41/1100525041.db2.gz VCUKOBVPGGXXSM-QGZVFWFLSA-N 0 3 310.401 3.192 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCCc2ccccc2)C1 ZINC001192102520 1100571672 /nfs/dbraw/zinc/57/16/72/1100571672.db2.gz TWUHJUBDHJQGLP-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C#CCNC(=O)CN[C@H](c1ccc(CCCC)cc1)C(C)C ZINC001192358007 1100609646 /nfs/dbraw/zinc/60/96/46/1100609646.db2.gz BPQCHKBTTMAXEE-IBGZPJMESA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192502243 1100627582 /nfs/dbraw/zinc/62/75/82/1100627582.db2.gz SXNVXESCKYAABR-IRXDYDNUSA-N 0 3 324.509 3.184 20 30 DGEDHN CCCCCCCCCCOC(=O)N[C@@H](C)[C@H]1CNCCO1 ZINC001239321508 1100631395 /nfs/dbraw/zinc/63/13/95/1100631395.db2.gz TXLQQZIKPABAMB-JKSUJKDBSA-N 0 3 314.470 3.230 20 30 DGEDHN CCCCCCCCCCOC(=O)N[C@@H](C)[C@@H]1CNCCO1 ZINC001239321506 1100631567 /nfs/dbraw/zinc/63/15/67/1100631567.db2.gz TXLQQZIKPABAMB-HOTGVXAUSA-N 0 3 314.470 3.230 20 30 DGEDHN CCCCCCCCCOC(=O)NC[C@H]1CCNC[C@H]1F ZINC001239320723 1100631652 /nfs/dbraw/zinc/63/16/52/1100631652.db2.gz XMMOXHFNWKLNDT-HUUCEWRRSA-N 0 3 302.434 3.411 20 30 DGEDHN CCCCCCCCCCNC(=S)N[C@H]1CCNC[C@@H]1F ZINC001239354096 1100640774 /nfs/dbraw/zinc/64/07/74/1100640774.db2.gz VWCVMCBVSBVGNA-GJZGRUSLSA-N 0 3 317.518 3.291 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001192687937 1100651097 /nfs/dbraw/zinc/65/10/97/1100651097.db2.gz MRIIZSYRLWFDCF-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN O=C(Oc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001194037439 1100857053 /nfs/dbraw/zinc/85/70/53/1100857053.db2.gz AEXYINQDQMLPMB-GFCCVEGCSA-N 0 3 309.774 3.113 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccc(F)cc3CC#N)c2)CC1 ZINC001240298431 1100931402 /nfs/dbraw/zinc/93/14/02/1100931402.db2.gz AFBKFQXTJPBLST-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN N#Cc1cc(-c2ccc3c(c2)CC/C3=N/[O-])cc(C2C[NH2+]C2)c1 ZINC001240360633 1100959264 /nfs/dbraw/zinc/95/92/64/1100959264.db2.gz JWQDFIJRFCBQJJ-QOCHGBHMSA-N 0 3 303.365 3.037 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC[C@H](N(C)CC=C)C1)c1ccccc1 ZINC001194554785 1100965781 /nfs/dbraw/zinc/96/57/81/1100965781.db2.gz FGEBFDNSRNLASJ-RBUKOAKNSA-N 0 3 312.457 3.455 20 30 DGEDHN N#Cc1nc(C2=CCCN(Cc3ccccc3)C2)cc2nc[nH]c21 ZINC001240384851 1100969076 /nfs/dbraw/zinc/96/90/76/1100969076.db2.gz UUTOGZKNHZLSNT-UHFFFAOYSA-N 0 3 315.380 3.119 20 30 DGEDHN Cc1cccc(-c2ccc(CN3CCN(C)CC3)cc2)c1C#N ZINC001240401438 1100977513 /nfs/dbraw/zinc/97/75/13/1100977513.db2.gz BZUGAMHFVBKYDN-UHFFFAOYSA-N 0 3 305.425 3.281 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)CSC(C)C)CC1 ZINC001194896849 1101032900 /nfs/dbraw/zinc/03/29/00/1101032900.db2.gz AJNPAJZOOAJRPQ-UHFFFAOYSA-N 0 3 312.523 3.409 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001195355744 1101124632 /nfs/dbraw/zinc/12/46/32/1101124632.db2.gz CJENDTKPDKBUMI-UHFFFAOYSA-N 0 3 320.481 3.145 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ocnc2C)CC1 ZINC001195418790 1101134639 /nfs/dbraw/zinc/13/46/39/1101134639.db2.gz KZYNRQYHISUDJS-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2ccccc2CC)CC1 ZINC001195645109 1101168988 /nfs/dbraw/zinc/16/89/88/1101168988.db2.gz JSUWUJFUVOLQKR-UHFFFAOYSA-N 0 3 312.457 3.087 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(CCC)CCC)C1 ZINC001195684203 1101174866 /nfs/dbraw/zinc/17/48/66/1101174866.db2.gz VNMNEESIXADTMV-QZTJIDSGSA-N 0 3 324.509 3.111 20 30 DGEDHN CC(C)C#CC(=O)N1CCCN([C@H]2CCCc3ccccc32)CC1 ZINC001195755157 1101190638 /nfs/dbraw/zinc/19/06/38/1101190638.db2.gz ZRGKIVXXMIGYOE-FQEVSTJZSA-N 0 3 324.468 3.258 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2scnc2CC)CC1 ZINC001196073458 1101245313 /nfs/dbraw/zinc/24/53/13/1101245313.db2.gz XGLVMJFFTUXENE-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(Cc3ccccc3C)CC2)CCC1 ZINC001196137371 1101253235 /nfs/dbraw/zinc/25/32/35/1101253235.db2.gz AICPPMFFPASNIN-UHFFFAOYSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc(F)ccc2F)CC1 ZINC001196171990 1101262246 /nfs/dbraw/zinc/26/22/46/1101262246.db2.gz UHEHPXWLPNBEGH-UHFFFAOYSA-N 0 3 308.372 3.079 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccsn2)CC1 ZINC001196259773 1101272481 /nfs/dbraw/zinc/27/24/81/1101272481.db2.gz PISBPEMHZPBNBC-UHFFFAOYSA-N 0 3 309.479 3.261 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196831420 1101401943 /nfs/dbraw/zinc/40/19/43/1101401943.db2.gz QIRUFODWWUANEU-JKSUJKDBSA-N 0 3 320.502 3.283 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196895580 1101428526 /nfs/dbraw/zinc/42/85/26/1101428526.db2.gz MSDLWMWQTGWVLS-GOSISDBHSA-N 0 3 314.473 3.366 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196895556 1101429483 /nfs/dbraw/zinc/42/94/83/1101429483.db2.gz MACGUXADYACHSW-INIZCTEOSA-N 0 3 320.502 3.427 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC001196943253 1101439247 /nfs/dbraw/zinc/43/92/47/1101439247.db2.gz LYGYVHATTQINBW-UHFFFAOYSA-N 0 3 308.372 3.079 20 30 DGEDHN O=C1C=C2CN(C(=S)Nc3ccc(Cl)cc3)CCC2S1 ZINC001197314006 1101523756 /nfs/dbraw/zinc/52/37/56/1101523756.db2.gz CSZZKRMVJGJNME-GFCCVEGCSA-N 0 3 324.858 3.311 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2sc(CC)nc2C)CC1 ZINC001197418943 1101563435 /nfs/dbraw/zinc/56/34/35/1101563435.db2.gz XZQDFYNVKPDNJO-UHFFFAOYSA-N 0 3 321.490 3.128 20 30 DGEDHN CN(C)[C@H](CNC(=S)Nc1cccc(C#N)c1)c1ccccc1 ZINC001197727092 1101651736 /nfs/dbraw/zinc/65/17/36/1101651736.db2.gz VEASQNUZZNUOOS-QGZVFWFLSA-N 0 3 324.453 3.148 20 30 DGEDHN CCN1CCN(c2ccc(-c3nccc(C#N)c3C)cc2)CC1 ZINC001241740773 1101671173 /nfs/dbraw/zinc/67/11/73/1101671173.db2.gz PINMIPHDLOEVMU-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN CCN1CCN(c2ccc(-c3nc(C#N)ccc3C)cc2)CC1 ZINC001241741271 1101671259 /nfs/dbraw/zinc/67/12/59/1101671259.db2.gz ZTQSLWASQHZWAW-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccc(CC#N)c(C)n3)cc2)CC1 ZINC001241742239 1101673345 /nfs/dbraw/zinc/67/33/45/1101673345.db2.gz HPXZHTKBWSHTTF-UHFFFAOYSA-N 0 3 320.440 3.265 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCCc2sccc2C)CC1 ZINC001197973767 1101720087 /nfs/dbraw/zinc/72/00/87/1101720087.db2.gz NDNOHHKHJKHNLI-UHFFFAOYSA-N 0 3 320.502 3.490 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CN(CCCC)C[C@H]1O ZINC001198103550 1101762302 /nfs/dbraw/zinc/76/23/02/1101762302.db2.gz KAPFRQHRYZATSC-IAGOWNOFSA-N 0 3 312.498 3.089 20 30 DGEDHN C=CCCN[C@H](CNC(=O)c1ccccc1)c1ccccc1OC ZINC001198499387 1101878880 /nfs/dbraw/zinc/87/88/80/1101878880.db2.gz LLRMYELRNDEIOG-GOSISDBHSA-N 0 3 324.424 3.332 20 30 DGEDHN C#C[C@H]1CCCCN1CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001198526338 1101894224 /nfs/dbraw/zinc/89/42/24/1101894224.db2.gz QNFIPPFCFFEJCY-HNNXBMFYSA-N 0 3 306.450 3.264 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CC1CCC1)c1ccccc1OC ZINC001198636256 1101937366 /nfs/dbraw/zinc/93/73/66/1101937366.db2.gz KFOGTZVXLUIDEA-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)C1(C)CC1)c1ccccc1OC ZINC001198733083 1101961895 /nfs/dbraw/zinc/96/18/95/1101961895.db2.gz XLIOEMMSVHOKIQ-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198740398 1101963515 /nfs/dbraw/zinc/96/35/15/1101963515.db2.gz DZFVLTOJRSLMJG-KRWDZBQOSA-N 0 3 316.445 3.230 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198834025 1101990246 /nfs/dbraw/zinc/99/02/46/1101990246.db2.gz GNUWJWWDSBXRQA-OAHLLOKOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198857584 1102004082 /nfs/dbraw/zinc/00/40/82/1102004082.db2.gz RXNOUTYFTFCWED-NVXWUHKLSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1OC ZINC001198843626 1102011408 /nfs/dbraw/zinc/01/14/08/1102011408.db2.gz UXTTXMQCARFIGB-RDJZCZTQSA-N 0 3 322.424 3.012 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1OC ZINC001198843381 1102013075 /nfs/dbraw/zinc/01/30/75/1102013075.db2.gz OZFFGEWDTWTVBU-XIRDDKMYSA-N 0 3 316.445 3.064 20 30 DGEDHN C=CCCCC(=O)NC[C@H](NCCCF)c1ccccc1OC ZINC001198875913 1102018845 /nfs/dbraw/zinc/01/88/45/1102018845.db2.gz LNSNVLBCVRGHGG-INIZCTEOSA-N 0 3 322.424 3.158 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198916390 1102025937 /nfs/dbraw/zinc/02/59/37/1102025937.db2.gz MVSAXDOQQHGEJG-HNNXBMFYSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1OC ZINC001198924721 1102027229 /nfs/dbraw/zinc/02/72/29/1102027229.db2.gz MSVSLCJYWOFSHW-NVXWUHKLSA-N 0 3 318.461 3.310 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C(C)(C)C)c1ccccc1OC ZINC001198969291 1102037264 /nfs/dbraw/zinc/03/72/64/1102037264.db2.gz UWVNNHBOPKBNLW-HNNXBMFYSA-N 0 3 304.434 3.064 20 30 DGEDHN Cc1ccc(CNCCNc2ccc(C#N)cn2)c(Cl)c1 ZINC001199162096 1102076891 /nfs/dbraw/zinc/07/68/91/1102076891.db2.gz PPFHFVFQDHRTDD-UHFFFAOYSA-N 0 3 300.793 3.117 20 30 DGEDHN N#Cc1ccc(NCCNCc2cc3cc(F)ccc3o2)nc1 ZINC001199162078 1102077464 /nfs/dbraw/zinc/07/74/64/1102077464.db2.gz PCVSLPFIGOFGKL-UHFFFAOYSA-N 0 3 310.332 3.040 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@]3(CCN(CC=C)C3=O)CC2)c1 ZINC001273792624 1102233341 /nfs/dbraw/zinc/23/33/41/1102233341.db2.gz VNLWIPQNLDBOEV-NRFANRHFSA-N 0 3 322.452 3.059 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN([C@H](C)COC)C2)CCCCC1 ZINC001494877155 1102302582 /nfs/dbraw/zinc/30/25/82/1102302582.db2.gz UDNVSOPMYOJJPE-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)CC ZINC001273812784 1102304094 /nfs/dbraw/zinc/30/40/94/1102304094.db2.gz ALIYZIGLYCTTPC-MAUKXSAKSA-N 0 3 300.446 3.152 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccc(C#N)cc3F)c2)CC1 ZINC001201570372 1102655938 /nfs/dbraw/zinc/65/59/38/1102655938.db2.gz BFOLBFPWJJRGED-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN CC#CCCCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202102192 1102830192 /nfs/dbraw/zinc/83/01/92/1102830192.db2.gz ZJLYMGVNRPGVIY-QBFSEMIESA-N 0 3 317.260 3.080 20 30 DGEDHN C=CCCCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202266885 1102903904 /nfs/dbraw/zinc/90/39/04/1102903904.db2.gz ONHBYHOSTNJGAU-BENRWUELSA-N 0 3 305.249 3.242 20 30 DGEDHN O[C@]1(C(F)(F)F)CCN(CCCC(F)(F)F)CC[C@@H]1F ZINC001202377793 1102967857 /nfs/dbraw/zinc/96/78/57/1102967857.db2.gz NLPQXHHTOHXKPU-DTWKUNHWSA-N 0 3 311.241 3.056 20 30 DGEDHN O[C@]1(C(F)(F)F)CCN(CCCC(F)(F)F)CC[C@H]1F ZINC001202377796 1102968147 /nfs/dbraw/zinc/96/81/47/1102968147.db2.gz NLPQXHHTOHXKPU-RKDXNWHRSA-N 0 3 311.241 3.056 20 30 DGEDHN CC(C)=CC(=O)N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202406211 1102972946 /nfs/dbraw/zinc/97/29/46/1102972946.db2.gz HCOWJIJWFKYUQA-RBUKOAKNSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(CCCC(F)(F)F)C2 ZINC001202415720 1102973885 /nfs/dbraw/zinc/97/38/85/1102973885.db2.gz PJDOUXYBMNNNDM-KGLIPLIRSA-N 0 3 307.356 3.155 20 30 DGEDHN C=C[C@H](COC)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC001325617346 1103081912 /nfs/dbraw/zinc/08/19/12/1103081912.db2.gz YMHYAZNSHYJAMI-MRXNPFEDSA-N 0 3 307.397 3.316 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)cc(C)cc1F)C2 ZINC001095732798 1103096166 /nfs/dbraw/zinc/09/61/66/1103096166.db2.gz TUKVOMIUVBRGTL-KCXAZCMYSA-N 0 3 320.383 3.184 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1(CCC)CCC1 ZINC001325701113 1103105348 /nfs/dbraw/zinc/10/53/48/1103105348.db2.gz HJZUQXFLCRKNDQ-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCC2CC2)CCCCC1 ZINC001488699208 1103112057 /nfs/dbraw/zinc/11/20/57/1103112057.db2.gz OKEXBJBTOHGYOL-SFHVURJKSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC(C)C)CCCCC1 ZINC001488700703 1103132865 /nfs/dbraw/zinc/13/28/65/1103132865.db2.gz ZMULDXGXLJSFDT-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001488800012 1103160085 /nfs/dbraw/zinc/16/00/85/1103160085.db2.gz RIXQPHRSSZYDFJ-XYPHTWIQSA-N 0 3 320.864 3.102 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCC1CCCCC1 ZINC001325916340 1103162568 /nfs/dbraw/zinc/16/25/68/1103162568.db2.gz ICVNXENJNNKEBJ-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001326192147 1103229054 /nfs/dbraw/zinc/22/90/54/1103229054.db2.gz UFSJJWVERILNIO-LLVKDONJSA-N 0 3 317.216 3.127 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cc(F)ccc2F)[C@H]1CC ZINC001489147926 1103302356 /nfs/dbraw/zinc/30/23/56/1103302356.db2.gz UCSZXZQODAKIEU-DLBZAZTESA-N 0 3 322.399 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)[C@@H](C)c1cccc(OC)c1 ZINC001493001727 1103323593 /nfs/dbraw/zinc/32/35/93/1103323593.db2.gz WIRFCGDMOWXKPY-HNNXBMFYSA-N 0 3 318.461 3.407 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001326482071 1103333252 /nfs/dbraw/zinc/33/32/52/1103333252.db2.gz UZFJOZSMMMWMNZ-ZOCIIQOWSA-N 0 3 310.441 3.023 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cccc2)cc1 ZINC001326490950 1103338151 /nfs/dbraw/zinc/33/81/51/1103338151.db2.gz UIBBLXBRPFSOQK-SJORKVTESA-N 0 3 323.440 3.039 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CCC)c2ccccn2)[C@H]1C ZINC001489287885 1103341415 /nfs/dbraw/zinc/34/14/15/1103341415.db2.gz YRSGEUZSCZEARN-IKGGRYGDSA-N 0 3 315.461 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001326599898 1103380450 /nfs/dbraw/zinc/38/04/50/1103380450.db2.gz XNRSAHIDAJPOBW-OAHLLOKOSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CC(C)(C)C=C)cccc2C1 ZINC001326673573 1103404586 /nfs/dbraw/zinc/40/45/86/1103404586.db2.gz DGGOXUVUIMMXNC-UHFFFAOYSA-N 0 3 324.468 3.287 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@]2(c3ccccc3)CC2(C)C)CCC1 ZINC001326903431 1103475784 /nfs/dbraw/zinc/47/57/84/1103475784.db2.gz PHMRSTCTHFKWHD-OAQYLSRUSA-N 0 3 324.468 3.006 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001114835505 1103485574 /nfs/dbraw/zinc/48/55/74/1103485574.db2.gz LKBHHYDSGSSQKX-LBKNJMOBSA-N 0 3 312.457 3.111 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001276318588 1103485836 /nfs/dbraw/zinc/48/58/36/1103485836.db2.gz DIOFKFKMEOANHB-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC001278384021 1103504643 /nfs/dbraw/zinc/50/46/43/1103504643.db2.gz JYUGBIVBDGBSOR-ZFWWWQNUSA-N 0 3 312.438 3.117 20 30 DGEDHN N#Cc1ccc(F)c(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1 ZINC001244556669 1103518422 /nfs/dbraw/zinc/51/84/22/1103518422.db2.gz LVVUSHWMVZESDK-IBGZPJMESA-N 0 3 321.355 3.278 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001327161820 1103561472 /nfs/dbraw/zinc/56/14/72/1103561472.db2.gz GJPCBVKFABACBI-PKOBYXMFSA-N 0 3 312.457 3.174 20 30 DGEDHN CC(C)CC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001490395550 1103590169 /nfs/dbraw/zinc/59/01/69/1103590169.db2.gz HGGHTUQYSKFUDG-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CC(C)(C)c2ccccc2)CC1 ZINC001490424424 1103620254 /nfs/dbraw/zinc/62/02/54/1103620254.db2.gz CSOVHGYVNZQEOP-UHFFFAOYSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001490556745 1103652592 /nfs/dbraw/zinc/65/25/92/1103652592.db2.gz BSGYCTZZGMOKND-WMZOPIPTSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001490556742 1103652742 /nfs/dbraw/zinc/65/27/42/1103652742.db2.gz BSGYCTZZGMOKND-AEFFLSMTSA-N 0 3 300.446 3.288 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC ZINC001327509383 1103667508 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C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(F)c1F)C2 ZINC001095943760 1103706097 /nfs/dbraw/zinc/70/60/97/1103706097.db2.gz KZUSEEJZBVHGAP-SWHYSGLUSA-N 0 3 324.346 3.015 20 30 DGEDHN CC[C@H](C)N[C@@H](CNC(=O)c1csc(C#N)c1)c1ccco1 ZINC001328001357 1103797818 /nfs/dbraw/zinc/79/78/18/1103797818.db2.gz UNRYJMOGQREHCV-FZMZJTMJSA-N 0 3 317.414 3.072 20 30 DGEDHN C=CCOC[C@H](O)CNCc1cc(C(F)(F)F)ccc1Cl ZINC001252485341 1103806472 /nfs/dbraw/zinc/80/64/72/1103806472.db2.gz JWOMAPQTGICVFJ-GFCCVEGCSA-N 0 3 323.742 3.012 20 30 DGEDHN C[C@H]1CCc2nc(CNCCc3ccc(C#N)cc3)sc2C1 ZINC001328060394 1103827270 /nfs/dbraw/zinc/82/72/70/1103827270.db2.gz IMJKCFPKKJMEOW-ZDUSSCGKSA-N 0 3 311.454 3.472 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occ3c1CCCC3)C2 ZINC001096430536 1103833164 /nfs/dbraw/zinc/83/31/64/1103833164.db2.gz YKDOOXMGKZYEAV-PVAVHDDUSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC(C)C)cc1)C2 ZINC001096515576 1103855208 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C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cc(F)ccc1OC ZINC001329103523 1104153184 /nfs/dbraw/zinc/15/31/84/1104153184.db2.gz LJVKPNNRJQECGW-STQMWFEESA-N 0 3 322.424 3.029 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001329346075 1104226062 /nfs/dbraw/zinc/22/60/62/1104226062.db2.gz OJLQVVXBTLYUJG-AWEZNQCLSA-N 0 3 312.885 3.393 20 30 DGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CCCC=C)C2 ZINC001274027500 1104226225 /nfs/dbraw/zinc/22/62/25/1104226225.db2.gz IOYFFPGWFSHFPT-UHFFFAOYSA-N 0 3 310.441 3.388 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccccc1OC ZINC001329356154 1104228116 /nfs/dbraw/zinc/22/81/16/1104228116.db2.gz JPPQEYXGIKSDPP-UHFFFAOYSA-N 0 3 324.852 3.136 20 30 DGEDHN COC(=O)c1cc(C#N)cc(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213076011 1104234260 /nfs/dbraw/zinc/23/42/60/1104234260.db2.gz AAKKNGUJYCWZIX-UHFFFAOYSA-N 0 3 306.325 3.273 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccsc1C ZINC001274075198 1104240658 /nfs/dbraw/zinc/24/06/58/1104240658.db2.gz MCCUCUWNYOSYRV-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cc(F)cc2F ZINC001329397264 1104245629 /nfs/dbraw/zinc/24/56/29/1104245629.db2.gz OZZQRRQCPBXRHN-SJKOYZFVSA-N 0 3 322.399 3.355 20 30 DGEDHN CCCC[C@@H](CC)CC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001154385595 1104318876 /nfs/dbraw/zinc/31/88/76/1104318876.db2.gz LYADNWBKKPMVML-QZTJIDSGSA-N 0 3 324.509 3.069 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001278427778 1104360028 /nfs/dbraw/zinc/36/00/28/1104360028.db2.gz YBEISASULRQWHN-OAHLLOKOSA-N 0 3 312.866 3.101 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001330011710 1104452663 /nfs/dbraw/zinc/45/26/63/1104452663.db2.gz BTJPEHDLYGUFGG-CQSZACIVSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001330032483 1104458134 /nfs/dbraw/zinc/45/81/34/1104458134.db2.gz TYRVYUFGLHKRPH-OAHLLOKOSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC001278438861 1104458711 /nfs/dbraw/zinc/45/87/11/1104458711.db2.gz XZSKRMDSSCJGOL-XLIONFOSSA-N 0 3 314.473 3.330 20 30 DGEDHN C[C@H](CN[C@H](C)c1ccc(F)c(F)c1)NC(=O)C#CC(C)(C)C ZINC001274747041 1104477575 /nfs/dbraw/zinc/47/75/75/1104477575.db2.gz HRVCVQNGCFKZEQ-CHWSQXEVSA-N 0 3 322.399 3.170 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001279171712 1104478721 /nfs/dbraw/zinc/47/87/21/1104478721.db2.gz IWBAMACYCAUCHZ-XFHJGTJQSA-N 0 3 324.468 3.248 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](CC)CC(F)(F)F ZINC001274815729 1104500441 /nfs/dbraw/zinc/50/04/41/1104500441.db2.gz KDHVLMQPECWDDN-QWRGUYRKSA-N 0 3 314.779 3.202 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001330230545 1104513974 /nfs/dbraw/zinc/51/39/74/1104513974.db2.gz PUXIBPJAEKHHTJ-QGZVFWFLSA-N 0 3 300.446 3.370 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2conc2C)C(C)(C)C1 ZINC001330230063 1104515148 /nfs/dbraw/zinc/51/51/48/1104515148.db2.gz KWEMEQLXSLORKT-MRXNPFEDSA-N 0 3 321.465 3.394 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001275029909 1104582870 /nfs/dbraw/zinc/58/28/70/1104582870.db2.gz KAZWTQTYBZSAED-PYLOOKDKSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001275029912 1104583567 /nfs/dbraw/zinc/58/35/67/1104583567.db2.gz KAZWTQTYBZSAED-WWQFSPIMSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2ccccc2n1C(C)(C)C ZINC001330587914 1104585895 /nfs/dbraw/zinc/58/58/95/1104585895.db2.gz DTPMQILWYDWIDJ-NSHDSACASA-N 0 3 320.824 3.200 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1c(F)cccc1Cl ZINC001275159200 1104656855 /nfs/dbraw/zinc/65/68/55/1104656855.db2.gz ABKBVSFTMOZDSQ-ZDUSSCGKSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ncc(Cl)s1 ZINC001330864780 1104665101 /nfs/dbraw/zinc/66/51/01/1104665101.db2.gz BDJDJCKPXBDRHB-SECBINFHSA-N 0 3 322.261 3.037 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)(C)c2ccccc2)C1 ZINC001275318138 1104721406 /nfs/dbraw/zinc/72/14/06/1104721406.db2.gz RSXZCQXSUPCDIJ-UHFFFAOYSA-N 0 3 320.864 3.201 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2sccc2CC)C1 ZINC001275324317 1104723351 /nfs/dbraw/zinc/72/33/51/1104723351.db2.gz UJJHXDGCYUQWCR-UHFFFAOYSA-N 0 3 312.866 3.161 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001275480046 1104772297 /nfs/dbraw/zinc/77/22/97/1104772297.db2.gz FJGXXXCEGJQLGQ-RYUDHWBXSA-N 0 3 309.479 3.099 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@H](C)c1ccc(F)cc1 ZINC001275544627 1104802523 /nfs/dbraw/zinc/80/25/23/1104802523.db2.gz OYWOQRXQZKIURT-HUUCEWRRSA-N 0 3 304.409 3.127 20 30 DGEDHN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)cc1 ZINC001275551871 1104804509 /nfs/dbraw/zinc/80/45/09/1104804509.db2.gz JCUOSLYTEDUWPQ-MSOLQXFVSA-N 0 3 320.436 3.143 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001275614096 1104832677 /nfs/dbraw/zinc/83/26/77/1104832677.db2.gz IULXEZQUUQWZJZ-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001275691217 1104866494 /nfs/dbraw/zinc/86/64/94/1104866494.db2.gz GYQGTFZLRNGDSY-UHFFFAOYSA-N 0 3 323.868 3.139 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNCc1ocnc1C ZINC001275696764 1104868777 /nfs/dbraw/zinc/86/87/77/1104868777.db2.gz YVAMXZMMSNGEJO-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1cnoc1C ZINC001275710642 1104875337 /nfs/dbraw/zinc/87/53/37/1104875337.db2.gz VYBAWGCBTWMDHC-GOSISDBHSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001275780314 1104904698 /nfs/dbraw/zinc/90/46/98/1104904698.db2.gz DKKPCQHVOKXNBQ-HNNXBMFYSA-N 0 3 311.429 3.138 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001275819683 1104921575 /nfs/dbraw/zinc/92/15/75/1104921575.db2.gz UGMSUWVNQBSCDA-KSSFIOAISA-N 0 3 316.420 3.053 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001275929004 1104959239 /nfs/dbraw/zinc/95/92/39/1104959239.db2.gz WGUBHSXNWSIWKW-HZPDHXFCSA-N 0 3 302.462 3.365 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001275970558 1104971905 /nfs/dbraw/zinc/97/19/05/1104971905.db2.gz POIAORIEHCMWGW-GJZGRUSLSA-N 0 3 304.434 3.100 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001276041910 1105004260 /nfs/dbraw/zinc/00/42/60/1105004260.db2.gz UWANJPMLMHTFKI-LBPRGKRZSA-N 0 3 308.800 3.003 20 30 DGEDHN O=C1C=C2CN(Cc3c4ccoc4ccc3F)CCC2S1 ZINC001248528013 1105123361 /nfs/dbraw/zinc/12/33/61/1105123361.db2.gz HBJNXHAOZODSCC-OAHLLOKOSA-N 0 3 303.358 3.346 20 30 DGEDHN CCc1ccc(CN2CCC[C@H](NC(=O)C#CC3CC3)[C@@H]2C)cc1 ZINC001278510247 1105184918 /nfs/dbraw/zinc/18/49/18/1105184918.db2.gz KYDGLWYMFAVEGY-JXFKEZNVSA-N 0 3 324.468 3.132 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cccc(C(F)(F)F)c3)no2)CCCN1 ZINC001249351682 1105272357 /nfs/dbraw/zinc/27/23/57/1105272357.db2.gz BKEGEHZQWKZUHC-OAHLLOKOSA-N 0 3 321.302 3.357 20 30 DGEDHN N#Cc1cc(Cl)ccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249557829 1105313306 /nfs/dbraw/zinc/31/33/06/1105313306.db2.gz BGSVEBCDQJMNND-MRXNPFEDSA-N 0 3 317.820 3.392 20 30 DGEDHN Cc1cc(C)c(NC2=CC[C@H](N3CCOCC3)CC2)cc1C#N ZINC001249560527 1105315037 /nfs/dbraw/zinc/31/50/37/1105315037.db2.gz AIXJDZPNPMTVQZ-SFHVURJKSA-N 0 3 311.429 3.356 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)cccc1C)C2 ZINC001097154702 1105355633 /nfs/dbraw/zinc/35/56/33/1105355633.db2.gz SXIFTPPBNPLCRP-QRQLOZEOSA-N 0 3 312.457 3.144 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n(CC)c1C)C2 ZINC001097465400 1105395671 /nfs/dbraw/zinc/39/56/71/1105395671.db2.gz IVVPHJLEIXPQKM-NXHRZFHOSA-N 0 3 315.461 3.036 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCCCC1)C2 ZINC001097505244 1105405314 /nfs/dbraw/zinc/40/53/14/1105405314.db2.gz KVEDEFMDYMUMIB-KURKYZTESA-N 0 3 302.462 3.092 20 30 DGEDHN COc1cc(CN2CCC(S)CC2)ccc1OC(F)(F)F ZINC001249992219 1105422745 /nfs/dbraw/zinc/42/27/45/1105422745.db2.gz UHCRMQVPGHHFCZ-UHFFFAOYSA-N 0 3 321.364 3.488 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C(F)F)c1)C2 ZINC001097728306 1105435794 /nfs/dbraw/zinc/43/57/94/1105435794.db2.gz FTAWWSIPJQLWCJ-UPJWGTAASA-N 0 3 310.344 3.128 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@@H](C)CC)no1)C2 ZINC001097992085 1105492359 /nfs/dbraw/zinc/49/23/59/1105492359.db2.gz NCMBEZQRRUOVHO-XNISGKROSA-N 0 3 317.433 3.099 20 30 DGEDHN COc1cccc(CN2CCC(S)CC2)c1OCC1CC1 ZINC001250530639 1105533083 /nfs/dbraw/zinc/53/30/83/1105533083.db2.gz VJDBZCWRFJFYLU-UHFFFAOYSA-N 0 3 307.459 3.378 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H](C)CC(F)(F)F)C2 ZINC001255653370 1105559798 /nfs/dbraw/zinc/55/97/98/1105559798.db2.gz NZULQIOIKTVANX-IHRRRGAJSA-N 0 3 307.356 3.153 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccc(C)cc1)C2 ZINC001098240378 1105563360 /nfs/dbraw/zinc/56/33/60/1105563360.db2.gz SQWRJKMWWDPPLR-AITUJVMLSA-N 0 3 312.457 3.396 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C1CCC1)C2 ZINC001098299225 1105566910 /nfs/dbraw/zinc/56/69/10/1105566910.db2.gz FLWJSFKGGYEGTF-AHRSYUTCSA-N 0 3 322.452 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(Cl)cc1)C2 ZINC001098309745 1105568192 /nfs/dbraw/zinc/56/81/92/1105568192.db2.gz GLSZPALCVPTIAY-ZACQAIPSSA-N 0 3 318.848 3.180 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(s1)CCC3)C2 ZINC001098330304 1105569880 /nfs/dbraw/zinc/56/98/80/1105569880.db2.gz HJNINTZMQPHIKH-KFWWJZLASA-N 0 3 316.470 3.148 20 30 DGEDHN CC(C)c1ccc(OC[C@@H](O)CNCc2cccc(C#N)c2)cc1 ZINC001250743067 1105574464 /nfs/dbraw/zinc/57/44/64/1105574464.db2.gz KRJIOBRKYWOIGM-IBGZPJMESA-N 0 3 324.424 3.211 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)cc1)C2 ZINC001098450408 1105575852 /nfs/dbraw/zinc/57/58/52/1105575852.db2.gz TUNNYGIKMSLHMP-QRVBRYPASA-N 0 3 310.441 3.475 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)C[C@H](NC(=O)CC)c1ccccc1O2 ZINC001098538892 1105583061 /nfs/dbraw/zinc/58/30/61/1105583061.db2.gz PHKRNAGLBDXTSR-QFBILLFUSA-N 0 3 314.429 3.057 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2C)C1 ZINC001098708656 1105596755 /nfs/dbraw/zinc/59/67/55/1105596755.db2.gz UCPASSJWXRQNBN-YOEHRIQHSA-N 0 3 304.459 3.217 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001098954347 1105617738 /nfs/dbraw/zinc/61/77/38/1105617738.db2.gz XPKDLDMJIHRTHQ-MMKMLUHNSA-N 0 3 324.468 3.121 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001099071564 1105639086 /nfs/dbraw/zinc/63/90/86/1105639086.db2.gz CKMYINQIKNSSRB-FPOVZHCZSA-N 0 3 322.452 3.416 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001099084256 1105640568 /nfs/dbraw/zinc/64/05/68/1105640568.db2.gz NCTDSPQPHSMLQX-DOXZYTNZSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](OCC)C(=C)C ZINC001099098216 1105642297 /nfs/dbraw/zinc/64/22/97/1105642297.db2.gz MCMUINRXFOFDFX-IRXDYDNUSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001099106950 1105642510 /nfs/dbraw/zinc/64/25/10/1105642510.db2.gz TUIBAHDRIKSHMT-KGLIPLIRSA-N 0 3 316.436 3.461 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](OCC)C(C)C ZINC001099111175 1105643424 /nfs/dbraw/zinc/64/34/24/1105643424.db2.gz UFOIYPUKLDBWTJ-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC(F)F ZINC001099144775 1105648459 /nfs/dbraw/zinc/64/84/59/1105648459.db2.gz MVWPAXCXTFPQGV-OLZOCXBDSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC(F)F ZINC001099144776 1105649044 /nfs/dbraw/zinc/64/90/44/1105649044.db2.gz MVWPAXCXTFPQGV-QWHCGFSZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001099179748 1105654827 /nfs/dbraw/zinc/65/48/27/1105654827.db2.gz UMMKNSJRCXNPIR-BXWFABGCSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1C(F)(F)F ZINC001099204742 1105657609 /nfs/dbraw/zinc/65/76/09/1105657609.db2.gz AVMLYOGTHJEHQG-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001099215627 1105658503 /nfs/dbraw/zinc/65/85/03/1105658503.db2.gz XLLAUQZCRSPZSI-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001099229333 1105659717 /nfs/dbraw/zinc/65/97/17/1105659717.db2.gz JEVWIIOMSKMVRH-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001099257935 1105662231 /nfs/dbraw/zinc/66/22/31/1105662231.db2.gz LZDHBCQPGXUDHL-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C2(CC)CCCC2)C[C@H]1C(F)(F)F ZINC001099327566 1105669739 /nfs/dbraw/zinc/66/97/39/1105669739.db2.gz CIEUIDAOQJCHCZ-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC ZINC001099418879 1105678224 /nfs/dbraw/zinc/67/82/24/1105678224.db2.gz OFHIONXWEXOHMO-JONQDZQNSA-N 0 3 310.869 3.098 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2oc(C(C)C)nc2C)C1 ZINC001491047437 1105741213 /nfs/dbraw/zinc/74/12/13/1105741213.db2.gz ITFUVHCKYTVEIG-GASCZTMLSA-N 0 3 319.449 3.200 20 30 DGEDHN Cc1cc(CN2CCC[C@H](CNC(=O)C#CC(C)C)C2)cs1 ZINC001491104501 1105753354 /nfs/dbraw/zinc/75/33/54/1105753354.db2.gz JWNXABGNOIPBAL-MRXNPFEDSA-N 0 3 318.486 3.044 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001491210962 1105776012 /nfs/dbraw/zinc/77/60/12/1105776012.db2.gz WYIUHPKSQDYCLH-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001491220272 1105779208 /nfs/dbraw/zinc/77/92/08/1105779208.db2.gz CNDXKVHRKMRCAD-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccc(C)s1 ZINC001491236049 1105783445 /nfs/dbraw/zinc/78/34/45/1105783445.db2.gz HPGCUEVGYBRAFR-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1ccccc1 ZINC001491232586 1105783776 /nfs/dbraw/zinc/78/37/76/1105783776.db2.gz YVRLWBMSPHJUNI-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001491237030 1105784253 /nfs/dbraw/zinc/78/42/53/1105784253.db2.gz DQHCRQJRZRTZJY-ZDUSSCGKSA-N 0 3 310.438 3.438 20 30 DGEDHN C=CCC[C@H](O)CNCc1cccc(Br)c1F ZINC001252589964 1105798314 /nfs/dbraw/zinc/79/83/14/1105798314.db2.gz VTUNWPWXABHYDY-NSHDSACASA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001278674128 1105802042 /nfs/dbraw/zinc/80/20/42/1105802042.db2.gz YWFUSHIVNYFYMF-HOCLYGCPSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001252621942 1105806537 /nfs/dbraw/zinc/80/65/37/1105806537.db2.gz KQBFMRRZCSIDMM-ZFWWWQNUSA-N 0 3 314.351 3.468 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001100887826 1105861184 /nfs/dbraw/zinc/86/11/84/1105861184.db2.gz SZHAYIFHAJYROZ-SLTAFYQDSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001101018262 1105876079 /nfs/dbraw/zinc/87/60/79/1105876079.db2.gz CWCVCFXCBKHYID-FHERZECASA-N 0 3 320.864 3.335 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC001253246359 1105910486 /nfs/dbraw/zinc/91/04/86/1105910486.db2.gz NYGNRNTVOMGVMC-ROUUACIJSA-N 0 3 309.425 3.336 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)NC[C@H](O)COC(C)(C)C ZINC001253475636 1105944531 /nfs/dbraw/zinc/94/45/31/1105944531.db2.gz CUPJYGKCMGIZGL-CABCVRRESA-N 0 3 307.434 3.078 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001253519635 1105948603 /nfs/dbraw/zinc/94/86/03/1105948603.db2.gz NYINDDPISRZBSF-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC001101805604 1105979816 /nfs/dbraw/zinc/97/98/16/1105979816.db2.gz WFNXOANDDLIEEW-GDBMZVCRSA-N 0 3 320.864 3.490 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001278740326 1105985249 /nfs/dbraw/zinc/98/52/49/1105985249.db2.gz DPEWPORZAOJQNZ-HNNXBMFYSA-N 0 3 314.420 3.238 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001278747345 1105999995 /nfs/dbraw/zinc/99/99/95/1105999995.db2.gz LCIBMNDAPKKGPD-ZFWWWQNUSA-N 0 3 302.409 3.072 20 30 DGEDHN COc1ccc(OC(F)(F)F)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC001254642334 1106119422 /nfs/dbraw/zinc/11/94/22/1106119422.db2.gz GWZFMEPAVNWQLJ-ZYHUDNBSSA-N 0 3 314.307 3.376 20 30 DGEDHN COc1cccc(C(=O)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC001254660508 1106126240 /nfs/dbraw/zinc/12/62/40/1106126240.db2.gz JANGPGSSVONHGY-PBHICJAKSA-N 0 3 312.413 3.282 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CN([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC001254660337 1106126669 /nfs/dbraw/zinc/12/66/69/1106126669.db2.gz XHOXXDGMTKDDMX-CABCVRRESA-N 0 3 319.449 3.012 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001254669490 1106128776 /nfs/dbraw/zinc/12/87/76/1106128776.db2.gz RWVRXLHNUHNEBU-RHSMWYFYSA-N 0 3 324.428 3.191 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CCCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254669551 1106128856 /nfs/dbraw/zinc/12/88/56/1106128856.db2.gz SOJXBVJYQCGVAE-CABCVRRESA-N 0 3 319.449 3.012 20 30 DGEDHN COc1ccccc1OC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254670776 1106129871 /nfs/dbraw/zinc/12/98/71/1106129871.db2.gz MJBWYMCPDDIQOM-LSDHHAIUSA-N 0 3 300.402 3.231 20 30 DGEDHN C=C[C@H](COC)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001255019903 1106167723 /nfs/dbraw/zinc/16/77/23/1106167723.db2.gz VOZQTAGAIXVBJY-RISCZKNCSA-N 0 3 301.308 3.363 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C3CC3)CCC2)C1 ZINC001103278338 1106190684 /nfs/dbraw/zinc/19/06/84/1106190684.db2.gz AKPNUQGXYOYFEH-UKRRQHHQSA-N 0 3 324.896 3.393 20 30 DGEDHN CC[C@@H](CC#N)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001255152880 1106192232 /nfs/dbraw/zinc/19/22/32/1106192232.db2.gz HWXUYHAORDKZCR-FBVPLBQTSA-N 0 3 307.438 3.104 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCCC2)C1 ZINC001103283781 1106192703 /nfs/dbraw/zinc/19/27/03/1106192703.db2.gz YIGUGULRLUIOBH-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN CC[C@H](CC#N)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001255172407 1106198403 /nfs/dbraw/zinc/19/84/03/1106198403.db2.gz OVHFPABAXJSKQD-DLBZAZTESA-N 0 3 317.477 3.087 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN([C@@H](C)CC(F)(F)F)C2 ZINC001255652296 1106285293 /nfs/dbraw/zinc/28/52/93/1106285293.db2.gz NLLRWGPKBAYZIW-DZGCQCFKSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN([C@H](C)CC(F)(F)F)C2 ZINC001255652297 1106285736 /nfs/dbraw/zinc/28/57/36/1106285736.db2.gz NLLRWGPKBAYZIW-HIFRSBDPSA-N 0 3 318.383 3.360 20 30 DGEDHN Cc1ccc(SC[C@@H](C)NC(=N)c2ccc(F)cn2)cc1 ZINC001255752644 1106309636 /nfs/dbraw/zinc/30/96/36/1106309636.db2.gz KQIRZZKWXPKJII-GFCCVEGCSA-N 0 3 303.406 3.415 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc2ncccc2c1)C(C)C ZINC001278918998 1106389456 /nfs/dbraw/zinc/38/94/56/1106389456.db2.gz XTZSVSZWBSXDGU-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCO[C@@H](CCC)C1)C(C)C ZINC001278926307 1106399941 /nfs/dbraw/zinc/39/99/41/1106399941.db2.gz GYTQBOVKVGCDSK-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1ccc2c(c1)CCC2)C(C)C ZINC001278929427 1106406103 /nfs/dbraw/zinc/40/61/03/1106406103.db2.gz DVMILGOKSJQXRY-UHFFFAOYSA-N 0 3 314.473 3.073 20 30 DGEDHN CCCN(CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256479902 1106428428 /nfs/dbraw/zinc/42/84/28/1106428428.db2.gz KUVSZBSPBLYNHN-CABCVRRESA-N 0 3 309.454 3.400 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001278951676 1106455965 /nfs/dbraw/zinc/45/59/65/1106455965.db2.gz VAZWQAHJSWEBSG-MFMIUCCHSA-N 0 3 319.474 3.206 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(CC)CC1)c1ccccc1CC ZINC001278969372 1106497804 /nfs/dbraw/zinc/49/78/04/1106497804.db2.gz IVUGPSYGYCSTJX-QGZVFWFLSA-N 0 3 300.446 3.372 20 30 DGEDHN C=CCN[C@H](CNC(=O)C#CC(C)(C)C)c1ccccc1CC ZINC001278969451 1106498492 /nfs/dbraw/zinc/49/84/92/1106498492.db2.gz KPZQGCJBPNMOAQ-GOSISDBHSA-N 0 3 312.457 3.231 20 30 DGEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(C#N)CC2)CC1(C)C ZINC001256969983 1106518630 /nfs/dbraw/zinc/51/86/30/1106518630.db2.gz RSIBLDDNJPEHMO-UHFFFAOYSA-N 0 3 321.465 3.400 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN([C@@H](CC)CCCC)CC2 ZINC001257420019 1106584746 /nfs/dbraw/zinc/58/47/46/1106584746.db2.gz CUOZIZKZUUMBHM-HNNXBMFYSA-N 0 3 305.466 3.450 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN([C@H](C)CC)CC2 ZINC001257440165 1106589222 /nfs/dbraw/zinc/58/92/22/1106589222.db2.gz PEPHNADODZDTIH-CQSZACIVSA-N 0 3 303.450 3.152 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN([C@@H](C)CCCCC)CC2 ZINC001257509311 1106599667 /nfs/dbraw/zinc/59/96/67/1106599667.db2.gz FMEBHBGHMKEPFV-HNNXBMFYSA-N 0 3 305.466 3.450 20 30 DGEDHN C[C@H]1CC(N2CC(CC#N)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257584016 1106609896 /nfs/dbraw/zinc/60/98/96/1106609896.db2.gz OLPCTTGCGNSGHZ-STQMWFEESA-N 0 3 307.438 3.008 20 30 DGEDHN CCCCCCC[C@@H](C)N1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001258047707 1106663702 /nfs/dbraw/zinc/66/37/02/1106663702.db2.gz NPKCFCBLAXLWLO-QGZVFWFLSA-N 0 3 324.509 3.449 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1sc(C)nc1CC(C)C ZINC001320015987 1106785039 /nfs/dbraw/zinc/78/50/39/1106785039.db2.gz HAHIDGFPMRQRSN-UHFFFAOYSA-N 0 3 323.506 3.230 20 30 DGEDHN C=CCO[C@@H]1CCN(CCOc2ccc(OCCC)cc2)C1 ZINC001320038831 1106808521 /nfs/dbraw/zinc/80/85/21/1106808521.db2.gz VWWBVXHBZXIQMD-GOSISDBHSA-N 0 3 305.418 3.131 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001316949459 1106816822 /nfs/dbraw/zinc/81/68/22/1106816822.db2.gz RZXJYCURSYSMJJ-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001320077907 1106846285 /nfs/dbraw/zinc/84/62/85/1106846285.db2.gz DIAIAJITAKPWIS-UHFFFAOYSA-N 0 3 304.478 3.169 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)Cc1ccccc1C ZINC001320089506 1106857006 /nfs/dbraw/zinc/85/70/06/1106857006.db2.gz CZZMCLQXNCJVSA-KRWDZBQOSA-N 0 3 302.462 3.140 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001316989829 1106863352 /nfs/dbraw/zinc/86/33/52/1106863352.db2.gz XWYYKSFTXXMAMA-DLBZAZTESA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC001316992552 1106871812 /nfs/dbraw/zinc/87/18/12/1106871812.db2.gz RBJZGKCOBMHABY-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001316997286 1106877648 /nfs/dbraw/zinc/87/76/48/1106877648.db2.gz BNUHKSBHTQEPLC-KRWDZBQOSA-N 0 3 316.420 3.263 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001320112216 1106880182 /nfs/dbraw/zinc/88/01/82/1106880182.db2.gz SOMHDWNCJZCTQX-HBXAWUERSA-N 0 3 310.869 3.264 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2Cc3ccccc32)CC1 ZINC001317007385 1106890704 /nfs/dbraw/zinc/89/07/04/1106890704.db2.gz YSKGADCYERURDP-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1cccc(Cl)c1F)C1CC1 ZINC001317011162 1106899019 /nfs/dbraw/zinc/89/90/19/1106899019.db2.gz MXUUGNZGSWAJJK-OAHLLOKOSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)o1 ZINC001317044594 1106942914 /nfs/dbraw/zinc/94/29/14/1106942914.db2.gz HVXBEDFRVWZMKG-OIISXLGYSA-N 0 3 316.445 3.160 20 30 DGEDHN C#CCOCCN(C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC001320281376 1106946295 /nfs/dbraw/zinc/94/62/95/1106946295.db2.gz HACRKLUOTXCSSX-UHFFFAOYSA-N 0 3 319.408 3.083 20 30 DGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC001320306577 1106954508 /nfs/dbraw/zinc/95/45/08/1106954508.db2.gz WYMFQUNEJAVBGF-YPMHNXCESA-N 0 3 303.324 3.479 20 30 DGEDHN CCCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001317103016 1106999284 /nfs/dbraw/zinc/99/92/84/1106999284.db2.gz USHSHDVZIYSSMP-IYBDPMFKSA-N 0 3 317.408 3.014 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(Cc2scnc2C)C1 ZINC001317131863 1107028794 /nfs/dbraw/zinc/02/87/94/1107028794.db2.gz NOBQJOYXRCUMSG-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cc2ccccc2o1 ZINC001320511994 1107037109 /nfs/dbraw/zinc/03/71/09/1107037109.db2.gz KNGJRPSITQCLSA-ZDUSSCGKSA-N 0 3 320.820 3.212 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1nc(C)c(C)s1 ZINC001320517820 1107038843 /nfs/dbraw/zinc/03/88/43/1107038843.db2.gz OKKASLBAPISUMW-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(Cl)cc1C ZINC001320534253 1107043594 /nfs/dbraw/zinc/04/35/94/1107043594.db2.gz IXBSDJGXEKOITB-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccccc1Cl ZINC001320630092 1107079131 /nfs/dbraw/zinc/07/91/31/1107079131.db2.gz CRLAMEMXNUMJCP-GFCCVEGCSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001317175975 1107093921 /nfs/dbraw/zinc/09/39/21/1107093921.db2.gz IRTYIGPVFKGPAL-JKSUJKDBSA-N 0 3 304.434 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1ccccc1C ZINC001317176689 1107095583 /nfs/dbraw/zinc/09/55/83/1107095583.db2.gz CQAYINIPDQZFLI-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)=C2CCCC2)C1 ZINC001317203378 1107119914 /nfs/dbraw/zinc/11/99/14/1107119914.db2.gz ZBTYWNODKNYSPG-SJLPKXTDSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CCC)CC1 ZINC001317210363 1107130406 /nfs/dbraw/zinc/13/04/06/1107130406.db2.gz XOTGVNFKCCDXRC-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001317235006 1107158316 /nfs/dbraw/zinc/15/83/16/1107158316.db2.gz ORLZTRMDYFCLIV-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001317237341 1107162187 /nfs/dbraw/zinc/16/21/87/1107162187.db2.gz XLEXOAGXKMSIAE-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN CN1Cc2ccccc2[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC001320870016 1107169842 /nfs/dbraw/zinc/16/98/42/1107169842.db2.gz FHTCQJOBIFBNFO-CKHPTIKVSA-N 0 3 317.436 3.387 20 30 DGEDHN C#CCNCCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001320871903 1107169951 /nfs/dbraw/zinc/16/99/51/1107169951.db2.gz QEEQBJCXIZZQKP-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001317383611 1107292116 /nfs/dbraw/zinc/29/21/16/1107292116.db2.gz NLYFTCZWDUHXQI-IAGOWNOFSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001317396155 1107312361 /nfs/dbraw/zinc/31/23/61/1107312361.db2.gz VSMIAEFGLQUQRN-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001317402655 1107318650 /nfs/dbraw/zinc/31/86/50/1107318650.db2.gz XZUDLUVENZTASN-MRVPVSSYSA-N 0 3 324.639 3.172 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)s1 ZINC001261251135 1107372838 /nfs/dbraw/zinc/37/28/38/1107372838.db2.gz MXDWEVQEVZTENE-UHFFFAOYSA-N 0 3 312.438 3.100 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001317445463 1107387239 /nfs/dbraw/zinc/38/72/39/1107387239.db2.gz WSZDATNYTOTRPW-GOSISDBHSA-N 0 3 316.420 3.055 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001321618538 1107395141 /nfs/dbraw/zinc/39/51/41/1107395141.db2.gz WVJFAUBXQNIVQI-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001317460272 1107410150 /nfs/dbraw/zinc/41/01/50/1107410150.db2.gz VFLGFPBRPWSJRA-LJQANCHMSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001317462611 1107414337 /nfs/dbraw/zinc/41/43/37/1107414337.db2.gz GDUJKDOYHHUELL-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001317463839 1107417994 /nfs/dbraw/zinc/41/79/94/1107417994.db2.gz NMIURNBZFMJSTQ-GOSISDBHSA-N 0 3 302.462 3.188 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001317485158 1107440288 /nfs/dbraw/zinc/44/02/88/1107440288.db2.gz XZAIOUVOLKDXOC-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN CCC(CC)(CC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001322033669 1107490173 /nfs/dbraw/zinc/49/01/73/1107490173.db2.gz XDWDWIBVTPIWBP-KRWDZBQOSA-N 0 3 314.473 3.349 20 30 DGEDHN CCCN(CCNC(=O)C(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC001317547332 1107515568 /nfs/dbraw/zinc/51/55/68/1107515568.db2.gz KOLFOIMOQQBSIE-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2ncccc2c1)C1CC1 ZINC001317556491 1107533626 /nfs/dbraw/zinc/53/36/26/1107533626.db2.gz JOBORKRZWUNUQG-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN(CCNC(=O)C[C@H](C)c1ccccc1C)C1CC1 ZINC001317559302 1107538120 /nfs/dbraw/zinc/53/81/20/1107538120.db2.gz VRYHANCXZFMUJO-INIZCTEOSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(F)F)cc1F)C1CC1 ZINC001317558761 1107538698 /nfs/dbraw/zinc/53/86/98/1107538698.db2.gz ZMXGGBGKWKKWGK-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc2cc[nH]c2c1 ZINC001322219860 1107575101 /nfs/dbraw/zinc/57/51/01/1107575101.db2.gz XVYGWASNQCRZLD-CQSZACIVSA-N 0 3 313.445 3.317 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001322218853 1107575246 /nfs/dbraw/zinc/57/52/46/1107575246.db2.gz OPSJZTNPBDHBKO-CXAGYDPISA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001322231854 1107582769 /nfs/dbraw/zinc/58/27/69/1107582769.db2.gz WYRMGQKMUKWEAW-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCCCC(=O)NCC[C@@H]1CCN(Cc2cc(C)ns2)C1 ZINC001317797123 1107674113 /nfs/dbraw/zinc/67/41/13/1107674113.db2.gz KAHKGGHGUPYJAY-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN CC(C)[C@@H](C(=O)Nc1ccc(OCC#N)cc1)N1CCCCC1 ZINC001322502207 1107691585 /nfs/dbraw/zinc/69/15/85/1107691585.db2.gz CLQDXQQOSBHGOO-KRWDZBQOSA-N 0 3 315.417 3.038 20 30 DGEDHN C[C@@H](C(=O)N(C)CCCNCc1ccccc1C#N)C(C)(C)C ZINC001322570545 1107708603 /nfs/dbraw/zinc/70/86/03/1107708603.db2.gz QNNMNBBFXBVNMT-HNNXBMFYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCCOC)C2)CCCC1 ZINC001317957156 1107769400 /nfs/dbraw/zinc/76/94/00/1107769400.db2.gz UFHZMMOGGGCEME-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ccccc2C1 ZINC001318215705 1107903421 /nfs/dbraw/zinc/90/34/21/1107903421.db2.gz SAAQHULTYUUXQW-AABGKKOBSA-N 0 3 324.468 3.043 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001318265260 1107921462 /nfs/dbraw/zinc/92/14/62/1107921462.db2.gz BWUYZWRKBWTSGR-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001323301600 1107922315 /nfs/dbraw/zinc/92/23/15/1107922315.db2.gz JFKPYQHRSHBTJJ-ZDUSSCGKSA-N 0 3 311.857 3.443 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001323309911 1107930075 /nfs/dbraw/zinc/93/00/75/1107930075.db2.gz PDWCAISAMQFWJF-GDBMZVCRSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001323339423 1107943429 /nfs/dbraw/zinc/94/34/29/1107943429.db2.gz GCNFCAPICWWQEW-XJKSGUPXSA-N 0 3 306.837 3.499 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001323341470 1107944937 /nfs/dbraw/zinc/94/49/37/1107944937.db2.gz VHXLANAREGHALZ-GDBMZVCRSA-N 0 3 304.409 3.293 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN2CCCC=C)CCCCC1 ZINC001323371596 1107954616 /nfs/dbraw/zinc/95/46/16/1107954616.db2.gz NKELRMRZIXCSBJ-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001318374513 1107966134 /nfs/dbraw/zinc/96/61/34/1107966134.db2.gz SSKRWGUMNGRASQ-IAGOWNOFSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C(C)C)nc2ccccn21 ZINC001263232823 1107982312 /nfs/dbraw/zinc/98/23/12/1107982312.db2.gz YCDZPHUKCKPRCD-CYBMUJFWSA-N 0 3 300.406 3.080 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001323554521 1108010295 /nfs/dbraw/zinc/01/02/95/1108010295.db2.gz JVSPLDFWFQNJKV-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)c1nc2ccccc2cc1C1CC1 ZINC001263332637 1108019804 /nfs/dbraw/zinc/01/98/04/1108019804.db2.gz UXGGTGGCQSCFDR-HNNXBMFYSA-N 0 3 316.364 3.336 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001318469563 1108031036 /nfs/dbraw/zinc/03/10/36/1108031036.db2.gz FOTIKWCUOHLJSP-FQEVSTJZSA-N 0 3 324.468 3.140 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001318471918 1108034935 /nfs/dbraw/zinc/03/49/35/1108034935.db2.gz GFUZEOFGDZGXAI-XFHJGTJQSA-N 0 3 316.420 3.338 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001323787753 1108082087 /nfs/dbraw/zinc/08/20/87/1108082087.db2.gz JJKIASAUHDLBNA-HDICACEKSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001323786481 1108082497 /nfs/dbraw/zinc/08/24/97/1108082497.db2.gz VSQCCRQSTLBWHP-CQSZACIVSA-N 0 3 301.308 3.362 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001263616943 1108111486 /nfs/dbraw/zinc/11/14/86/1108111486.db2.gz OFOYAJHDSDCFKC-RWMBFGLXSA-N 0 3 315.323 3.161 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccn1C(C)C)C1CC1 ZINC001318728388 1108169573 /nfs/dbraw/zinc/16/95/73/1108169573.db2.gz OGXONGIBWYUURT-QGZVFWFLSA-N 0 3 323.868 3.310 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CC(C)C)CCCC[C@@H]1C ZINC001318740218 1108175816 /nfs/dbraw/zinc/17/58/16/1108175816.db2.gz FSQAROTXTPDRPR-BBRMVZONSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCc1ncccc1C ZINC001324169588 1108197312 /nfs/dbraw/zinc/19/73/12/1108197312.db2.gz YKFDNTCTEJBVQF-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001263843513 1108251211 /nfs/dbraw/zinc/25/12/11/1108251211.db2.gz BSGGUOQEMAZASP-UPJWGTAASA-N 0 3 312.866 3.089 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)CC)C1CCN(Cc2ccccc2)CC1 ZINC001324362468 1108264376 /nfs/dbraw/zinc/26/43/76/1108264376.db2.gz PCMWGCFLCAQJMG-KRWDZBQOSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CCN(C(=O)C[C@H]1C=CCC1)C1CCN(CC=C(C)C)CC1 ZINC001324364201 1108265710 /nfs/dbraw/zinc/26/57/10/1108265710.db2.gz CVAJCIOZGWKKHJ-SFHVURJKSA-N 0 3 314.473 3.235 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2CCCCCC2)cc1 ZINC001318989029 1108266719 /nfs/dbraw/zinc/26/67/19/1108266719.db2.gz PGECGEFKDDTXHG-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C(C2CCC2)C2CCC2)cc1 ZINC001318998806 1108270484 /nfs/dbraw/zinc/27/04/84/1108270484.db2.gz LUIQQYYWFAUQMY-UHFFFAOYSA-N 0 3 324.468 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCCCC2(C)C)cc1 ZINC001319008362 1108273398 /nfs/dbraw/zinc/27/33/98/1108273398.db2.gz CFYCWUQMSVRRMM-SFHVURJKSA-N 0 3 312.457 3.242 20 30 DGEDHN C=CCO[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001324418135 1108281110 /nfs/dbraw/zinc/28/11/10/1108281110.db2.gz XURIQDJRENBLJC-QXSWTLKVSA-N 0 3 302.374 3.275 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001263880585 1108282499 /nfs/dbraw/zinc/28/24/99/1108282499.db2.gz STQCQNPBZLWRPV-HNKHHVNMSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C1=CCCC1)c1ccc2ccccc2c1 ZINC001324440293 1108289372 /nfs/dbraw/zinc/28/93/72/1108289372.db2.gz COAYERJABIIJFO-HXUWFJFHSA-N 0 3 318.420 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](F)c2ccccc2)C1 ZINC001263921080 1108297285 /nfs/dbraw/zinc/29/72/85/1108297285.db2.gz GGUUXFPXWNQEGC-NUEKZKHPSA-N 0 3 324.827 3.324 20 30 DGEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)CCCCC)CC2)C1 ZINC001264113544 1108376998 /nfs/dbraw/zinc/37/69/98/1108376998.db2.gz XKBMMYCKERIMIA-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@@H](NCc2cncs2)C1 ZINC001264118952 1108383042 /nfs/dbraw/zinc/38/30/42/1108383042.db2.gz RGEJPDVJBJIXHZ-OAHLLOKOSA-N 0 3 321.490 3.360 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001324641519 1108393101 /nfs/dbraw/zinc/39/31/01/1108393101.db2.gz LSQTXXXWVLUDTG-LPHOPBHVSA-N 0 3 300.446 3.370 20 30 DGEDHN C[C@@H](C#N)C(=O)NCC1(NCc2ccccc2Cl)CCCC1 ZINC001319341778 1108421977 /nfs/dbraw/zinc/42/19/77/1108421977.db2.gz VSPPKIFOBCEMNN-ZDUSSCGKSA-N 0 3 319.836 3.018 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001319369857 1108432268 /nfs/dbraw/zinc/43/22/68/1108432268.db2.gz UHCUNXFQKDSOGL-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCOCC(=O)N(C)[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC001319431983 1108464077 /nfs/dbraw/zinc/46/40/77/1108464077.db2.gz YLODVJPFFGFDAD-ZIAGYGMSSA-N 0 3 324.852 3.040 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)/C=C\C(C)(C)C ZINC001319437770 1108466979 /nfs/dbraw/zinc/46/69/79/1108466979.db2.gz WHNNXRRJFIMRFP-LKBMAGLMSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001319514227 1108501725 /nfs/dbraw/zinc/50/17/25/1108501725.db2.gz JDVVPFONTGVVRU-KBPBESRZSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2ncccc2C)CCC1 ZINC001319523503 1108506089 /nfs/dbraw/zinc/50/60/89/1108506089.db2.gz BBLXAKOTEWFKEZ-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001324943479 1108527573 /nfs/dbraw/zinc/52/75/73/1108527573.db2.gz IVCANHVZZYIMFB-IBGZPJMESA-N 0 3 311.429 3.186 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001324960763 1108536523 /nfs/dbraw/zinc/53/65/23/1108536523.db2.gz JVYUYXVJDSVVJH-WMLDXEAASA-N 0 3 306.475 3.256 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001319604260 1108551112 /nfs/dbraw/zinc/55/11/12/1108551112.db2.gz VQFRUIXKJHNLRI-UONOGXRCSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001325049140 1108568838 /nfs/dbraw/zinc/56/88/38/1108568838.db2.gz BFUBPDHAFHYCLA-HNNXBMFYSA-N 0 3 314.420 3.237 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCCCC(C)C)C(C)(C)[C@H]21 ZINC001264585610 1108580530 /nfs/dbraw/zinc/58/05/30/1108580530.db2.gz DROGXTCRPIMEPL-NEWSRXKRSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H](C)C1 ZINC001319676911 1108590454 /nfs/dbraw/zinc/59/04/54/1108590454.db2.gz VCJHWFCHWKLQNY-LXSPXAAKSA-N 0 3 305.249 3.098 20 30 DGEDHN C[C@@H](NC(=O)c1csc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC001325191470 1108590650 /nfs/dbraw/zinc/59/06/50/1108590650.db2.gz NYDAVBQUPYOBSA-WBMJQRKESA-N 0 3 313.426 3.041 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)[C@H]1CC ZINC001264618888 1108596530 /nfs/dbraw/zinc/59/65/30/1108596530.db2.gz XSACHWOIFCAJSC-JCGIZDLHSA-N 0 3 318.436 3.474 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C ZINC001325232891 1108602735 /nfs/dbraw/zinc/60/27/35/1108602735.db2.gz VIJHWTVCJHLABL-ZNMIVQPWSA-N 0 3 317.408 3.334 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1CC ZINC001325361517 1108632200 /nfs/dbraw/zinc/63/22/00/1108632200.db2.gz HNNAYDUJWNSNTK-IRXDYDNUSA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 ZINC001264744376 1108643074 /nfs/dbraw/zinc/64/30/74/1108643074.db2.gz VRMQUWWFPBTAMJ-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1sc(CC)nc1C ZINC001264744387 1108643259 /nfs/dbraw/zinc/64/32/59/1108643259.db2.gz WESOWWKUGLBOLG-AWEZNQCLSA-N 0 3 321.490 3.126 20 30 DGEDHN C[C@H](COc1ccccc1F)NCc1ccc(C#N)cc1F ZINC001319834234 1108656262 /nfs/dbraw/zinc/65/62/62/1108656262.db2.gz OZHDVTGKEDQONG-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001319838766 1108659136 /nfs/dbraw/zinc/65/91/36/1108659136.db2.gz TUAHGQIQSDEFSX-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cncs1 ZINC001319861436 1108667333 /nfs/dbraw/zinc/66/73/33/1108667333.db2.gz OTHHJZOGFSVRLT-HOCLYGCPSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1cncc(F)c1)C(C)C ZINC001319913912 1108692614 /nfs/dbraw/zinc/69/26/14/1108692614.db2.gz ACJUNSYAKQFJSF-MRXNPFEDSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(C)CCC(=O)NCCCN(C)Cc1sc(C)nc1C ZINC001264992227 1108693886 /nfs/dbraw/zinc/69/38/86/1108693886.db2.gz PZTUNGMWYRGYIZ-UHFFFAOYSA-N 0 3 309.479 3.054 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc2ccccn2c1)C(C)C ZINC001319948164 1108708922 /nfs/dbraw/zinc/70/89/22/1108708922.db2.gz TZXSUIZYSRMMSW-MRXNPFEDSA-N 0 3 319.836 3.036 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cocc1C ZINC001265089154 1108728830 /nfs/dbraw/zinc/72/88/30/1108728830.db2.gz KCCFKWKSJLAEBG-UKRRQHHQSA-N 0 3 310.825 3.313 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001265089153 1108729190 /nfs/dbraw/zinc/72/91/90/1108729190.db2.gz KCCFKWKSJLAEBG-HIFRSBDPSA-N 0 3 310.825 3.313 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc2cccc(C)c2o1)C1CC1 ZINC001265184368 1108763473 /nfs/dbraw/zinc/76/34/73/1108763473.db2.gz ZTOZDTDWSDLGKV-UHFFFAOYSA-N 0 3 324.424 3.349 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001265278499 1108802811 /nfs/dbraw/zinc/80/28/11/1108802811.db2.gz HEFXHDBQEKOGBK-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001265332722 1108830527 /nfs/dbraw/zinc/83/05/27/1108830527.db2.gz ZSGXJHSCDWRDHM-QZTJIDSGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccn(CC)c2C)CC1 ZINC001265340481 1108834523 /nfs/dbraw/zinc/83/45/23/1108834523.db2.gz TXEAEWIDOMIPKU-UHFFFAOYSA-N 0 3 317.477 3.319 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001265595025 1108926953 /nfs/dbraw/zinc/92/69/53/1108926953.db2.gz QGKVZFFPEKWZEG-SJORKVTESA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1ccc(F)cc1F ZINC001265655324 1108953070 /nfs/dbraw/zinc/95/30/70/1108953070.db2.gz FLOCDXVBBMRIKK-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CC[C@H](C(=O)N1CCCC[C@H]1CNCCF)c1ccccc1 ZINC001265691325 1108967837 /nfs/dbraw/zinc/96/78/37/1108967837.db2.gz IQTIALHMPWROBF-ROUUACIJSA-N 0 3 318.436 3.287 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C/C=C/Cc2ccccc2)C1 ZINC001266103503 1109090476 /nfs/dbraw/zinc/09/04/76/1109090476.db2.gz RQSURJLPQYIHQM-IBDYFIJFSA-N 0 3 324.468 3.122 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001266102076 1109090776 /nfs/dbraw/zinc/09/07/76/1109090776.db2.gz BYIXJMSAAFPZID-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCC=CCCC1)C1CC1 ZINC001266142723 1109106426 /nfs/dbraw/zinc/10/64/26/1109106426.db2.gz HNLHWXZKFNTLKO-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001266237501 1109136342 /nfs/dbraw/zinc/13/63/42/1109136342.db2.gz XITKSDMPADULDA-SJLPKXTDSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@H]2CC=CCC2)c(F)c1 ZINC001279716027 1109161489 /nfs/dbraw/zinc/16/14/89/1109161489.db2.gz MWZINFZNWRPILJ-HNNXBMFYSA-N 0 3 316.420 3.464 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccccc1F ZINC001280315287 1109184554 /nfs/dbraw/zinc/18/45/54/1109184554.db2.gz MVVVRZOORHEDQC-UHFFFAOYSA-N 0 3 312.388 3.374 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001316602679 1109185000 /nfs/dbraw/zinc/18/50/00/1109185000.db2.gz VHYMTEHNYLRLDV-HNNXBMFYSA-N 0 3 303.450 3.251 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1 ZINC001280355012 1109189585 /nfs/dbraw/zinc/18/95/85/1109189585.db2.gz WJBMJRRYIUONGJ-YJBOKZPZSA-N 0 3 310.441 3.167 20 30 DGEDHN CCCCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001280431638 1109202378 /nfs/dbraw/zinc/20/23/78/1109202378.db2.gz NNILDFQECMQJFM-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001280710723 1109241312 /nfs/dbraw/zinc/24/13/12/1109241312.db2.gz SEMSZOWIKGYNBZ-KRWDZBQOSA-N 0 3 304.409 3.263 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001280756990 1109248755 /nfs/dbraw/zinc/24/87/55/1109248755.db2.gz ROVYXYKFMQDBQS-QAPCUYQASA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001280760180 1109249941 /nfs/dbraw/zinc/24/99/41/1109249941.db2.gz OVRHGVLEYLDCFB-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN CC(C)CC(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001280782246 1109254420 /nfs/dbraw/zinc/25/44/20/1109254420.db2.gz UZOMXNVFDIXZIU-UHFFFAOYSA-N 0 3 319.424 3.024 20 30 DGEDHN CC(C)CCCN1Cc2ccc(CNC(=O)C#CC3CC3)cc2C1 ZINC001281293102 1109324322 /nfs/dbraw/zinc/32/43/22/1109324322.db2.gz MBHXHNJPXJFAAJ-UHFFFAOYSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](CCC)OC)cc2C1 ZINC001281297877 1109326316 /nfs/dbraw/zinc/32/63/16/1109326316.db2.gz FHJRBHICDNAYKZ-GOSISDBHSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC001281379605 1109343430 /nfs/dbraw/zinc/34/34/30/1109343430.db2.gz WSAVBBQMHMETSS-LRDDRELGSA-N 0 3 324.827 3.382 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(CC)CCCC2)C(C)(C)C1 ZINC001281570811 1109382367 /nfs/dbraw/zinc/38/23/67/1109382367.db2.gz DKTGVXNDXBCGQK-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001281657198 1109389341 /nfs/dbraw/zinc/38/93/41/1109389341.db2.gz CGCGEAVAXQEREX-ZIAGYGMSSA-N 0 3 318.383 3.102 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(CCc2ccns2)[C@@H](C)C1 ZINC001281676712 1109394951 /nfs/dbraw/zinc/39/49/51/1109394951.db2.gz QIYFUVAAVGAGKU-LSDHHAIUSA-N 0 3 321.490 3.011 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C(F)F)cc1 ZINC001281757688 1109404341 /nfs/dbraw/zinc/40/43/41/1109404341.db2.gz DRIJLOYDJNWWCF-NSHDSACASA-N 0 3 316.779 3.475 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC1CCC1 ZINC001281776222 1109406637 /nfs/dbraw/zinc/40/66/37/1109406637.db2.gz JYYVCKDFIPNOPP-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN CC[C@H](C)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001281851912 1109411935 /nfs/dbraw/zinc/41/19/35/1109411935.db2.gz GNABXKMAUUQEII-HKUYNNGSSA-N 0 3 312.457 3.055 20 30 DGEDHN C[C@@H](NC(=O)CC1CCCC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001282089330 1109446801 /nfs/dbraw/zinc/44/68/01/1109446801.db2.gz XZMXBNZXOXCLIY-QWHCGFSZSA-N 0 3 319.474 3.183 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CC1CCCC1 ZINC001282089328 1109446943 /nfs/dbraw/zinc/44/69/43/1109446943.db2.gz XZMXBNZXOXCLIY-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1OC ZINC001282131399 1109455333 /nfs/dbraw/zinc/45/53/33/1109455333.db2.gz CKEMBOIPVPRZTQ-CVEARBPZSA-N 0 3 318.461 3.343 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001282185506 1109465536 /nfs/dbraw/zinc/46/55/36/1109465536.db2.gz OLAWNYSDDUSECE-LSDHHAIUSA-N 0 3 306.425 3.473 20 30 DGEDHN CCCCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282226803 1109471580 /nfs/dbraw/zinc/47/15/80/1109471580.db2.gz FKNDQFFCTAPXLE-ZWKOTPCHSA-N 0 3 314.473 3.491 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001316619562 1109495737 /nfs/dbraw/zinc/49/57/37/1109495737.db2.gz IXSQROSLWWGMLD-OKILXGFUSA-N 0 3 321.490 3.038 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001282736857 1109558920 /nfs/dbraw/zinc/55/89/20/1109558920.db2.gz IORCFQWZKBDASD-IAGOWNOFSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001282738754 1109559258 /nfs/dbraw/zinc/55/92/58/1109559258.db2.gz HPFPRMGAUPRYOS-KHYOSLBOSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2ccc(C)s2)C1 ZINC001282741392 1109560189 /nfs/dbraw/zinc/56/01/89/1109560189.db2.gz SFPJPBWBNWHTQC-CQSZACIVSA-N 0 3 306.475 3.002 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001283102678 1109594462 /nfs/dbraw/zinc/59/44/62/1109594462.db2.gz BMSPPKWTQZRDIT-WKILWMFISA-N 0 3 320.864 3.462 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccoc1Cl ZINC001283164261 1109600203 /nfs/dbraw/zinc/60/02/03/1109600203.db2.gz FFLAMBHIDTVJJL-SNVBAGLBSA-N 0 3 305.205 3.174 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC001283607846 1109660746 /nfs/dbraw/zinc/66/07/46/1109660746.db2.gz KNXCYAGKHIKCLZ-HUUCEWRRSA-N 0 3 320.864 3.497 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](C)CCCCCC)CC1 ZINC001284725764 1109850858 /nfs/dbraw/zinc/85/08/58/1109850858.db2.gz FTEDIUFUJQFJQZ-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@@H](C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1)C1CCC1 ZINC001284774065 1109858747 /nfs/dbraw/zinc/85/87/47/1109858747.db2.gz NBEIXHXZPDHRMN-PBPGXSGUSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001284812930 1109865886 /nfs/dbraw/zinc/86/58/86/1109865886.db2.gz LFEAYDDIAZNGDU-NFOMZHRRSA-N 0 3 300.874 3.390 20 30 DGEDHN C=CCC(C)(C)Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001301139672 1111083605 /nfs/dbraw/zinc/08/36/05/1111083605.db2.gz SCVIXWJNYOILAX-HUUCEWRRSA-N 0 3 319.497 3.108 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001301881421 1111102977 /nfs/dbraw/zinc/10/29/77/1111102977.db2.gz MMRPJKLHCOHMJL-RDJZCZTQSA-N 0 3 300.446 3.225 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1CC ZINC001316731392 1111157319 /nfs/dbraw/zinc/15/73/19/1111157319.db2.gz YRHRQQFGUPYOHE-DLBZAZTESA-N 0 3 318.486 3.329 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(C)Cc2sc(C)nc2C)C1 ZINC001316846829 1111206023 /nfs/dbraw/zinc/20/60/23/1111206023.db2.gz CYVLXOMCVRWNTL-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001307872023 1111348889 /nfs/dbraw/zinc/34/88/89/1111348889.db2.gz JSSNLSKGOXHMBX-RHSMWYFYSA-N 0 3 316.832 3.181 20 30 DGEDHN C=C(C)CCN1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308049850 1111371314 /nfs/dbraw/zinc/37/13/14/1111371314.db2.gz DAPUBFANMQQELQ-CRAIPNDOSA-N 0 3 324.465 3.053 20 30 DGEDHN C=CCCCN(CC)[C@H]1CCN(c2ccccc2OC)C1=O ZINC001308134809 1111382411 /nfs/dbraw/zinc/38/24/11/1111382411.db2.gz TVCYGLYPSPUMEX-INIZCTEOSA-N 0 3 302.418 3.089 20 30 DGEDHN Cc1cc(CNCc2c[nH]c(=O)c3ccccc23)ccc1C#N ZINC001308526158 1111438412 /nfs/dbraw/zinc/43/84/12/1111438412.db2.gz PUPSBNZFUNFRCM-UHFFFAOYSA-N 0 3 303.365 3.410 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CCCN1[O-] ZINC001308843944 1111483058 /nfs/dbraw/zinc/48/30/58/1111483058.db2.gz PIFBRPCDNRFTFF-NUEKZKHPSA-N 0 3 322.836 3.336 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CCCN1[O-] ZINC001308843945 1111483428 /nfs/dbraw/zinc/48/34/28/1111483428.db2.gz PIFBRPCDNRFTFF-VNQPRFMTSA-N 0 3 322.836 3.336 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001317530034 1111649493 /nfs/dbraw/zinc/64/94/93/1111649493.db2.gz SCEGSWXEWDHPPH-HNNXBMFYSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001317530033 1111651117 /nfs/dbraw/zinc/65/11/17/1111651117.db2.gz SCDQNAPWRAJCEZ-RTBURBONSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN(C(=O)NCC[C@H](C)CC(C)(C)C)C1CCN(C)CC1 ZINC001312509424 1111658002 /nfs/dbraw/zinc/65/80/02/1111658002.db2.gz YNQNVJZTRWRBBX-INIZCTEOSA-N 0 3 321.509 3.188 20 30 DGEDHN CCCN(CCNC(=O)[C@@H](C)CC)Cc1ccc(C#N)c(F)c1 ZINC001317539712 1111699249 /nfs/dbraw/zinc/69/92/49/1111699249.db2.gz BZVPWUJFUSYJOI-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC001317006383 1111737637 /nfs/dbraw/zinc/73/76/37/1111737637.db2.gz SRZIGVNAYJWKEE-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001317040047 1111742038 /nfs/dbraw/zinc/74/20/38/1111742038.db2.gz VPKCHVCBPBIAHO-YCABEKBOSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001316805098 1111772329 /nfs/dbraw/zinc/77/23/29/1111772329.db2.gz MYJDSFZGPAPSHZ-SFHVURJKSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cncc(F)c1 ZINC001316875196 1111787636 /nfs/dbraw/zinc/78/76/36/1111787636.db2.gz WFRKYRNQMZSVAC-RHSMWYFYSA-N 0 3 319.424 3.046 20 30 DGEDHN CC[C@@H](NCCNC(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000278271391 214059007 /nfs/dbraw/zinc/05/90/07/214059007.db2.gz PDHCOHWNCIIWDN-LJQANCHMSA-N 0 3 321.424 3.337 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413276150 529375596 /nfs/dbraw/zinc/37/55/96/529375596.db2.gz CEYSEYLWOMXFMQ-RISCZKNCSA-N 0 3 302.353 3.227 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000272853673 210248481 /nfs/dbraw/zinc/24/84/81/210248481.db2.gz LNOGSDUYQCEWPX-BPQIPLTHSA-N 0 3 321.486 3.149 20 30 DGEDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)CCC#N)ccc2NC1=O ZINC000351336120 529474533 /nfs/dbraw/zinc/47/45/33/529474533.db2.gz YOMSFBSQZGOCKP-JMSVASOKSA-N 0 3 301.390 3.139 20 30 DGEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Cl)c1 ZINC000125278419 529588564 /nfs/dbraw/zinc/58/85/64/529588564.db2.gz UETMQANOLRVQNR-RDJZCZTQSA-N 0 3 319.836 3.189 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000063548780 432005434 /nfs/dbraw/zinc/00/54/34/432005434.db2.gz SMJCYRHFCQBRAF-UHFFFAOYSA-N 0 3 306.344 3.173 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cccs1 ZINC000347653002 529648780 /nfs/dbraw/zinc/64/87/80/529648780.db2.gz QOSWNPDBHYTRBY-XEZPLFJOSA-N 0 3 307.463 3.232 20 30 DGEDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000181590063 199323006 /nfs/dbraw/zinc/32/30/06/199323006.db2.gz JWWVREVFQKVREB-RHSMWYFYSA-N 0 3 305.381 3.014 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2Cl)CC1 ZINC000080079836 334945310 /nfs/dbraw/zinc/94/53/10/334945310.db2.gz NVGAXSIMOOXZOQ-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN CN(CCOc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433122660 529926599 /nfs/dbraw/zinc/92/65/99/529926599.db2.gz WQKPZQCMUMGRIB-GOSISDBHSA-N 0 3 322.408 3.296 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000286733785 219136375 /nfs/dbraw/zinc/13/63/75/219136375.db2.gz FCDBYTMFJKYMRT-SFHVURJKSA-N 0 3 314.816 3.247 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433218924 529983825 /nfs/dbraw/zinc/98/38/25/529983825.db2.gz GNOJGBWIWOFTAK-IBGZPJMESA-N 0 3 317.392 3.289 20 30 DGEDHN CNCc1ccccc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000415905293 530010395 /nfs/dbraw/zinc/01/03/95/530010395.db2.gz UROSEADTRKEJJV-UHFFFAOYSA-N 0 3 320.396 3.088 20 30 DGEDHN C=C(C)CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000104060693 432013976 /nfs/dbraw/zinc/01/39/76/432013976.db2.gz WGXAYZNTOFPJTI-CQSZACIVSA-N 0 3 305.397 3.235 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104701500 432017072 /nfs/dbraw/zinc/01/70/72/432017072.db2.gz HNUQOWAOFHNCFL-RTBURBONSA-N 0 3 313.445 3.172 20 30 DGEDHN N#CCCCOc1cccc(CNC[C@H](O)Cc2ccccc2)c1 ZINC000105493035 432018892 /nfs/dbraw/zinc/01/88/92/432018892.db2.gz IDBUWBGIPVJLHX-LJQANCHMSA-N 0 3 324.424 3.062 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000106040079 432020044 /nfs/dbraw/zinc/02/00/44/432020044.db2.gz TVTSFSHGOHOIDD-MRXNPFEDSA-N 0 3 300.446 3.337 20 30 DGEDHN COC[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066904859 432023923 /nfs/dbraw/zinc/02/39/23/432023923.db2.gz CSPNAJKBPMWXDB-OAHLLOKOSA-N 0 3 310.397 3.262 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000170982735 197860980 /nfs/dbraw/zinc/86/09/80/197860980.db2.gz BKMUOHCNOKWJRM-QGZVFWFLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000172120220 198042241 /nfs/dbraw/zinc/04/22/41/198042241.db2.gz PCFQZMZMCXURFV-BQYQJAHWSA-N 0 3 321.424 3.015 20 30 DGEDHN C#CCSCCNCc1cccc(OCc2ccccn2)c1 ZINC000172674511 198135464 /nfs/dbraw/zinc/13/54/64/198135464.db2.gz APNAPNHFDVULRV-UHFFFAOYSA-N 0 3 312.438 3.117 20 30 DGEDHN C[C@H](COc1ccc(F)cc1F)NCc1ccc(C#N)cc1 ZINC000067250463 432028574 /nfs/dbraw/zinc/02/85/74/432028574.db2.gz AITSKYQNNRZGAT-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN COCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000107314428 432030075 /nfs/dbraw/zinc/03/00/75/432030075.db2.gz LUSZMHKCQCGDLB-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN N#CC1(CCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000411271361 283044869 /nfs/dbraw/zinc/04/48/69/283044869.db2.gz GYEVHBQYDJQYIJ-CHWSQXEVSA-N 0 3 304.356 3.238 20 30 DGEDHN Cc1cc(C)cc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c1 ZINC000073649455 191336593 /nfs/dbraw/zinc/33/65/93/191336593.db2.gz KRCOAPMKUWDLPQ-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN CC(C)(C#N)CCCN1CCN(Cc2cccc(F)c2)CC1 ZINC000164318686 432047590 /nfs/dbraw/zinc/04/75/90/432047590.db2.gz NRVZOZHKIBXQKT-UHFFFAOYSA-N 0 3 303.425 3.273 20 30 DGEDHN N#Cc1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)s1 ZINC000189596534 283145826 /nfs/dbraw/zinc/14/58/26/283145826.db2.gz WOMBYMSKUOCNPO-ZWNOBZJWSA-N 0 3 318.364 3.193 20 30 DGEDHN CCCN(CC1CCCCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411186114 283195300 /nfs/dbraw/zinc/19/53/00/283195300.db2.gz IWRYUDDIQPYJSV-SFHVURJKSA-N 0 3 313.445 3.377 20 30 DGEDHN N#Cc1c(Br)cccc1NCCN1CCCCC1 ZINC000168503582 432068711 /nfs/dbraw/zinc/06/87/11/432068711.db2.gz YUZWUDXCEQUJON-UHFFFAOYSA-N 0 3 308.223 3.219 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1N1CC[C@H](N2CCCCC2)C1 ZINC000413134141 283252849 /nfs/dbraw/zinc/25/28/49/283252849.db2.gz KXVAGFFJDFCAIR-ZDUSSCGKSA-N 0 3 324.350 3.037 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179508574 199047719 /nfs/dbraw/zinc/04/77/19/199047719.db2.gz WZVBIZAHSAKSLV-INIZCTEOSA-N 0 3 324.403 3.052 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179508574 199047721 /nfs/dbraw/zinc/04/77/21/199047721.db2.gz WZVBIZAHSAKSLV-INIZCTEOSA-N 0 3 324.403 3.052 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000280641456 215761542 /nfs/dbraw/zinc/76/15/42/215761542.db2.gz UZXWXFXPHYVIIH-GOSISDBHSA-N 0 3 323.396 3.027 20 30 DGEDHN Cn1cc(CNCc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180026316 432076282 /nfs/dbraw/zinc/07/62/82/432076282.db2.gz YLCKZRTUGOZXNS-UHFFFAOYSA-N 0 3 320.371 3.388 20 30 DGEDHN N#Cc1c(F)cccc1NCC1CCN(c2ccncc2)CC1 ZINC000180045241 432077524 /nfs/dbraw/zinc/07/75/24/432077524.db2.gz IWNRIWCSMKBQTC-UHFFFAOYSA-N 0 3 310.376 3.421 20 30 DGEDHN N#Cc1ccc(NC2CCN(C3CC3)CC2)c(Br)c1 ZINC000134582712 432080144 /nfs/dbraw/zinc/08/01/44/432080144.db2.gz KKMQVEISKUKSIT-UHFFFAOYSA-N 0 3 320.234 3.359 20 30 DGEDHN C[C@@H](NC(=O)c1cc(C#N)cs1)[C@H](c1ccccc1)N(C)C ZINC000187177417 200072366 /nfs/dbraw/zinc/07/23/66/200072366.db2.gz KDHXQRTZCXHAGR-MLGOLLRUSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@H](NC(=O)c1cc(C#N)cs1)[C@H](c1ccccc1)N(C)C ZINC000187177401 200072682 /nfs/dbraw/zinc/07/26/82/200072682.db2.gz KDHXQRTZCXHAGR-BLLLJJGKSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@H](NC(=O)c1cc(C#N)cs1)[C@@H](c1ccccc1)N(C)C ZINC000187177371 200072709 /nfs/dbraw/zinc/07/27/09/200072709.db2.gz KDHXQRTZCXHAGR-LRDDRELGSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)COCc1ccccc1 ZINC000187089331 200060388 /nfs/dbraw/zinc/06/03/88/200060388.db2.gz MDGACHFPQQNIIG-JXFKEZNVSA-N 0 3 324.424 3.129 20 30 DGEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187665897 200141924 /nfs/dbraw/zinc/14/19/24/200141924.db2.gz NVVQPWMQWQOFJA-RDJZCZTQSA-N 0 3 313.445 3.103 20 30 DGEDHN C[C@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000429583347 238056083 /nfs/dbraw/zinc/05/60/83/238056083.db2.gz KCULMNMPFCSPTR-SMDDNHRTSA-N 0 3 305.809 3.271 20 30 DGEDHN C[C@H]1OCC[C@]12CN(CCC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000411665776 291239002 /nfs/dbraw/zinc/23/90/02/291239002.db2.gz HKXNHHSSYARMFR-NUJGCVRESA-N 0 3 306.450 3.119 20 30 DGEDHN COc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271966552 209346115 /nfs/dbraw/zinc/34/61/15/209346115.db2.gz VNZLACYALZRZIX-XIKOKIGWSA-N 0 3 314.360 3.090 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc4cc[nH]c43)C2)nc1 ZINC000292688002 223202007 /nfs/dbraw/zinc/20/20/07/223202007.db2.gz BCZGEDIQIWAFOZ-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN Cc1ccc(C#N)c(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000194308692 201198489 /nfs/dbraw/zinc/19/84/89/201198489.db2.gz JEEOFJYQYWMPQE-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)c(OC(F)F)c1 ZINC000441662267 239067768 /nfs/dbraw/zinc/06/77/68/239067768.db2.gz MIJUYIYCAVDNNC-ZFWWWQNUSA-N 0 3 322.355 3.018 20 30 DGEDHN COCCCOc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442777735 239122490 /nfs/dbraw/zinc/12/24/90/239122490.db2.gz AAPYFZBKIOTGFC-DOTOQJQBSA-N 0 3 302.418 3.192 20 30 DGEDHN N#C[C@H]1CC[C@H](NCCOc2cccc(Br)c2)C1 ZINC000442780231 239122644 /nfs/dbraw/zinc/12/26/44/239122644.db2.gz MNZJCKFEUYPOIE-AAEUAGOBSA-N 0 3 309.207 3.110 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCCNc2cccc(Br)c2)C1 ZINC000442880737 239143707 /nfs/dbraw/zinc/14/37/07/239143707.db2.gz XYZHJQRDLXKKKJ-BXUZGUMPSA-N 0 3 308.223 3.143 20 30 DGEDHN COc1cccc(N2CC[C@@H](N[C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000271852822 209267719 /nfs/dbraw/zinc/26/77/19/209267719.db2.gz IWSCLSWHFILTNZ-CRAIPNDOSA-N 0 3 321.424 3.496 20 30 DGEDHN CC[C@H](CO)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449374904 240163577 /nfs/dbraw/zinc/16/35/77/240163577.db2.gz DDTINHNIGRIAQV-LJQANCHMSA-N 0 3 324.424 3.340 20 30 DGEDHN CC[C@H](COCC(F)(F)F)NCc1ccc(C#N)c(C)c1 ZINC000449382496 240169448 /nfs/dbraw/zinc/16/94/48/240169448.db2.gz XFPUKXMSIOHYBT-CQSZACIVSA-N 0 3 300.324 3.314 20 30 DGEDHN C=CCc1cc(CNC[C@@H](OC)[C@H](C)CC)cc(OC)c1O ZINC000449403356 240180061 /nfs/dbraw/zinc/18/00/61/240180061.db2.gz VQDIGYRCULHJOB-CXAGYDPISA-N 0 3 307.434 3.280 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000449517932 240260678 /nfs/dbraw/zinc/26/06/78/240260678.db2.gz HXHXMKNLFLBXQJ-CVEARBPZSA-N 0 3 303.402 3.083 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449555463 240285393 /nfs/dbraw/zinc/28/53/93/240285393.db2.gz QHWFHOUWCKOQNF-SOLBZPMBSA-N 0 3 301.430 3.234 20 30 DGEDHN N#Cc1csc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000091902444 193124877 /nfs/dbraw/zinc/12/48/77/193124877.db2.gz SRBYCTVQQDGBTH-QGZVFWFLSA-N 0 3 312.438 3.453 20 30 DGEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2Br)C1(C)C ZINC000451491193 241143219 /nfs/dbraw/zinc/14/32/19/241143219.db2.gz ISLINKKENGSVTR-KGLIPLIRSA-N 0 3 323.234 3.224 20 30 DGEDHN Cc1oc(NC(=O)CN[C@@H]2CCC23CCCC3)c(C#N)c1C ZINC000451455574 241129208 /nfs/dbraw/zinc/12/92/08/241129208.db2.gz KGEITHUDCMVKST-CQSZACIVSA-N 0 3 301.390 3.019 20 30 DGEDHN N#Cc1ccc(OCCN2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451964740 241285067 /nfs/dbraw/zinc/28/50/67/241285067.db2.gz LBQCZHQIUXMYJD-QGZVFWFLSA-N 0 3 302.443 3.156 20 30 DGEDHN C=CCC1(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CCCC1 ZINC000452319331 241383630 /nfs/dbraw/zinc/38/36/30/241383630.db2.gz BTTZNLKJOBCZKP-INIZCTEOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(CC)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000455526821 242226132 /nfs/dbraw/zinc/22/61/32/242226132.db2.gz UADGLCJMLBEFQD-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000455697183 242267626 /nfs/dbraw/zinc/26/76/26/242267626.db2.gz DIJJPYATIGMPNS-AAEUAGOBSA-N 0 3 320.824 3.010 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000455982055 242322380 /nfs/dbraw/zinc/32/23/80/242322380.db2.gz HKFKGHZVHAJWPP-LSDHHAIUSA-N 0 3 314.433 3.251 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NCCN(CC)C1CC1 ZINC000171249968 432116472 /nfs/dbraw/zinc/11/64/72/432116472.db2.gz XTCMYOWDVSYONY-UHFFFAOYSA-N 0 3 319.424 3.008 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)CC1 ZINC000458313882 243027503 /nfs/dbraw/zinc/02/75/03/243027503.db2.gz DFWKSKKIHRBAOF-INIZCTEOSA-N 0 3 307.482 3.103 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)CC1 ZINC000458322091 243030921 /nfs/dbraw/zinc/03/09/21/243030921.db2.gz NXLADRSKOSJUNE-QZTJIDSGSA-N 0 3 321.509 3.349 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458889522 243190888 /nfs/dbraw/zinc/19/08/88/243190888.db2.gz JGFCYYAKKIPSHW-INIZCTEOSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCC1(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CCCC1 ZINC000459058598 243238852 /nfs/dbraw/zinc/23/88/52/243238852.db2.gz DRLJWANYZNQZAM-LJQANCHMSA-N 0 3 319.493 3.250 20 30 DGEDHN COCc1cccc(OCC2(CN[C@H]3CCC[C@H]3C#N)CC2)c1 ZINC000459456479 243376056 /nfs/dbraw/zinc/37/60/56/243376056.db2.gz FYFLOIMXYUDIID-WMZOPIPTSA-N 0 3 314.429 3.274 20 30 DGEDHN CC(C)[C@@H](NCc1cccc(C#N)c1F)C1(CO)CCCC1 ZINC000459528903 243402051 /nfs/dbraw/zinc/40/20/51/243402051.db2.gz KICRFNILWHWKBR-QGZVFWFLSA-N 0 3 304.409 3.364 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000459420618 243363774 /nfs/dbraw/zinc/36/37/74/243363774.db2.gz YHDOAVGEVDEVPU-DJIMGWMZSA-N 0 3 307.459 3.250 20 30 DGEDHN N#Cc1cccc(CCNCc2cc(Cl)cc3c2OCC3)c1 ZINC000466424168 243917946 /nfs/dbraw/zinc/91/79/46/243917946.db2.gz GPOZOYCEMQFRKT-UHFFFAOYSA-N 0 3 312.800 3.479 20 30 DGEDHN CCc1nnc(NC[C@H](C)N2CCCC[C@@H]2C)c(C#N)c1CC ZINC000467737419 244004797 /nfs/dbraw/zinc/00/47/97/244004797.db2.gz KEMCVSPQXTZNCR-KBPBESRZSA-N 0 3 315.465 3.148 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000472749670 244314116 /nfs/dbraw/zinc/31/41/16/244314116.db2.gz LCOATKKHRGVGQO-FQEVSTJZSA-N 0 3 324.468 3.285 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000474070675 244365487 /nfs/dbraw/zinc/36/54/87/244365487.db2.gz APOHGGHWMPIMTG-UHFFFAOYSA-N 0 3 303.450 3.116 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000474073701 244366852 /nfs/dbraw/zinc/36/68/52/244366852.db2.gz JBJWWKDECUAYHP-UHFFFAOYSA-N 0 3 321.440 3.255 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)s1 ZINC000487734980 245101323 /nfs/dbraw/zinc/10/13/23/245101323.db2.gz VBROLVHPLRZZFP-ZDUSSCGKSA-N 0 3 305.447 3.004 20 30 DGEDHN Cc1cc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1C#N ZINC000488125217 245151058 /nfs/dbraw/zinc/15/10/58/245151058.db2.gz LFWVWPMUCJCELN-ROUUACIJSA-N 0 3 316.470 3.353 20 30 DGEDHN C=CCN1CCC(NC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000264328474 203853187 /nfs/dbraw/zinc/85/31/87/203853187.db2.gz CYEMCCZEROJHIL-UHFFFAOYSA-N 0 3 313.445 3.015 20 30 DGEDHN CCC(CC)CN(CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000488619403 245215026 /nfs/dbraw/zinc/21/50/26/245215026.db2.gz TWPDFNXRAFYEHC-SFHVURJKSA-N 0 3 313.445 3.422 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H](O)c2ccccc2C)cc1 ZINC000264982256 204321987 /nfs/dbraw/zinc/32/19/87/204321987.db2.gz URPXIQSLHKLOOB-FQEVSTJZSA-N 0 3 309.409 3.220 20 30 DGEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)s1 ZINC000282817756 217271351 /nfs/dbraw/zinc/27/13/51/217271351.db2.gz ALTIVQKRMUMFRF-UHFFFAOYSA-N 0 3 301.371 3.202 20 30 DGEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(N2CCOCC2)c1 ZINC000268736354 432129514 /nfs/dbraw/zinc/12/95/14/432129514.db2.gz BSWKAQZMSWXGPT-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000018017104 182089541 /nfs/dbraw/zinc/08/95/41/182089541.db2.gz NWAQZJANOQGXHE-LJQANCHMSA-N 0 3 321.424 3.153 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000018017105 182089737 /nfs/dbraw/zinc/08/97/37/182089737.db2.gz NWAQZJANOQGXHE-IBGZPJMESA-N 0 3 321.424 3.153 20 30 DGEDHN N#Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)s1 ZINC000135666976 432133078 /nfs/dbraw/zinc/13/30/78/432133078.db2.gz XANJMSAXLNYJRO-OAHLLOKOSA-N 0 3 301.415 3.139 20 30 DGEDHN C=CCN1CC[C@H](NCC(C)(C)c2c(F)cccc2Cl)C1=O ZINC000493616352 246024586 /nfs/dbraw/zinc/02/45/86/246024586.db2.gz CAWOKJJPZGDAIH-AWEZNQCLSA-N 0 3 324.827 3.133 20 30 DGEDHN CC(C)N(CCCNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000494608415 246170882 /nfs/dbraw/zinc/17/08/82/246170882.db2.gz REGMMORMGSLKBG-UHFFFAOYSA-N 0 3 321.421 3.276 20 30 DGEDHN C=C(C)COCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495048280 246226264 /nfs/dbraw/zinc/22/62/64/246226264.db2.gz JBNKZGBUCMFPPX-YJBOKZPZSA-N 0 3 307.409 3.476 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cccc(F)c1)C(C)C ZINC000496031518 246342656 /nfs/dbraw/zinc/34/26/56/246342656.db2.gz ZCUSNNDSTVHSHK-GOSISDBHSA-N 0 3 318.436 3.183 20 30 DGEDHN CCCNC(=O)OC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000496462728 246399147 /nfs/dbraw/zinc/39/91/47/246399147.db2.gz RIIZJHXLPHDGQY-HNNXBMFYSA-N 0 3 309.454 3.307 20 30 DGEDHN N#CC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000563832739 335036536 /nfs/dbraw/zinc/03/65/36/335036536.db2.gz IHGPLCPJZKMWGR-UHFFFAOYSA-N 0 3 321.827 3.337 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCc3c2cnn3C)cc1 ZINC000268809871 432138898 /nfs/dbraw/zinc/13/88/98/432138898.db2.gz KNCTXIBVGFJWOZ-KSSFIOAISA-N 0 3 309.413 3.160 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360632243 285039449 /nfs/dbraw/zinc/03/94/49/285039449.db2.gz IGXXZSGCZQEEMP-IAGOWNOFSA-N 0 3 319.493 3.287 20 30 DGEDHN C[C@@H](NCc1ccccc1Cn1cncn1)c1cccc(C#N)c1 ZINC000337805579 253177177 /nfs/dbraw/zinc/17/71/77/253177177.db2.gz HLOIGNBNCXYXLM-OAHLLOKOSA-N 0 3 317.396 3.049 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000337838483 253181766 /nfs/dbraw/zinc/18/17/66/253181766.db2.gz UVNMTTMVTPFYAN-OAHLLOKOSA-N 0 3 321.424 3.117 20 30 DGEDHN N#Cc1cccc(C2(NCCCO[C@@H]3CCCCO3)CC2)c1 ZINC000338285901 253257323 /nfs/dbraw/zinc/25/73/23/253257323.db2.gz UKDGYMIAVPYVJK-QGZVFWFLSA-N 0 3 300.402 3.070 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000159233188 197337952 /nfs/dbraw/zinc/33/79/52/197337952.db2.gz FIBZBGWUVDCOLM-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000341574809 253833555 /nfs/dbraw/zinc/83/35/55/253833555.db2.gz IVPJWNZJULNORY-UHFFFAOYSA-N 0 3 311.360 3.054 20 30 DGEDHN CC(C#N)C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000347072249 533108624 /nfs/dbraw/zinc/10/86/24/533108624.db2.gz PJSLLPUZZOIDRO-HNNXBMFYSA-N 0 3 324.428 3.408 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444760288 533117647 /nfs/dbraw/zinc/11/76/47/533117647.db2.gz IXPCIDOEIKCEBU-QUBYGPBYSA-N 0 3 308.662 3.358 20 30 DGEDHN CC(C#N)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000348728351 533118216 /nfs/dbraw/zinc/11/82/16/533118216.db2.gz KQXNOVCTDZXGFY-BLLLJJGKSA-N 0 3 313.788 3.295 20 30 DGEDHN CCC[C@@H]1CN(c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000342852386 254065517 /nfs/dbraw/zinc/06/55/17/254065517.db2.gz RIJJXDAEZSSTKT-LJQANCHMSA-N 0 3 320.440 3.444 20 30 DGEDHN COc1ccccc1[C@H](CNCc1cc(C#N)cs1)N(C)C ZINC000343079792 254096092 /nfs/dbraw/zinc/09/60/92/254096092.db2.gz RMCZRUMHUDBANE-INIZCTEOSA-N 0 3 315.442 3.021 20 30 DGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(C#N)o1 ZINC000343169006 254109162 /nfs/dbraw/zinc/10/91/62/254109162.db2.gz DFFXUNZXCFWFRN-UHFFFAOYSA-N 0 3 309.369 3.308 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCCC[C@H]1C ZINC000343176610 254110176 /nfs/dbraw/zinc/11/01/76/254110176.db2.gz CBZGMRJZDYVYIF-OLZOCXBDSA-N 0 3 318.396 3.082 20 30 DGEDHN N#Cc1ccc(CNCCCN2CCc3ccccc3C2)c(F)c1 ZINC000343191800 254112247 /nfs/dbraw/zinc/11/22/47/254112247.db2.gz IMIVJIQAVUOXTC-UHFFFAOYSA-N 0 3 323.415 3.235 20 30 DGEDHN Cc1cccc(C[C@H](CO)N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000343496468 254151763 /nfs/dbraw/zinc/15/17/63/254151763.db2.gz FZNUSZLPEBDDFI-RHSMWYFYSA-N 0 3 312.388 3.260 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000343340657 254129505 /nfs/dbraw/zinc/12/95/05/254129505.db2.gz VOVSDLAFEYHKNH-SFHVURJKSA-N 0 3 315.367 3.229 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000343340652 254129601 /nfs/dbraw/zinc/12/96/01/254129601.db2.gz VOVSDLAFEYHKNH-GOSISDBHSA-N 0 3 315.367 3.229 20 30 DGEDHN Cc1ccnc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000343430639 254142417 /nfs/dbraw/zinc/14/24/17/254142417.db2.gz DLMSXGJDWLFJNI-WBVHZDCISA-N 0 3 306.413 3.337 20 30 DGEDHN COC[C@H](NCCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000343631224 254170506 /nfs/dbraw/zinc/17/05/06/254170506.db2.gz YGWSZLFIPRIMCJ-SFHVURJKSA-N 0 3 316.351 3.356 20 30 DGEDHN COC[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000343631222 254170748 /nfs/dbraw/zinc/17/07/48/254170748.db2.gz YGWSZLFIPRIMCJ-GOSISDBHSA-N 0 3 316.351 3.356 20 30 DGEDHN CCn1c2ccc(C#N)cc2nc1NC(=O)C(C)C(F)(F)F ZINC000343947583 254205599 /nfs/dbraw/zinc/20/55/99/254205599.db2.gz IRTLFFPFDVYKNZ-MRVPVSSYSA-N 0 3 310.279 3.065 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)CC(C)(C)C1 ZINC000344032889 254216125 /nfs/dbraw/zinc/21/61/25/254216125.db2.gz FBTLZNXWYYFTGT-AWEZNQCLSA-N 0 3 302.418 3.314 20 30 DGEDHN CN(C[C@@H]1CC=CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000344077726 254222033 /nfs/dbraw/zinc/22/20/33/254222033.db2.gz WXJTXJJROITBCD-IEBWSBKVSA-N 0 3 323.440 3.342 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](C4CC4)C3)C2=O)cc1 ZINC000344084640 254222822 /nfs/dbraw/zinc/22/28/22/254222822.db2.gz GKBJYTWNJJBONK-PKOBYXMFSA-N 0 3 323.440 3.176 20 30 DGEDHN Fc1ccc(C#CCN2CCN(C3CCCCC3)CC2)cc1 ZINC000157197894 197168988 /nfs/dbraw/zinc/16/89/88/197168988.db2.gz JDKZYYPPFSVPDB-UHFFFAOYSA-N 0 3 300.421 3.128 20 30 DGEDHN CN1CCN(Cc2ccc(F)c(C#N)c2)C2(CCCCC2)C1 ZINC000344380720 254264436 /nfs/dbraw/zinc/26/44/36/254264436.db2.gz QNWITBPAXVVIOM-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN CCN(CCOc1ccccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000345212513 254341740 /nfs/dbraw/zinc/34/17/40/254341740.db2.gz UULGWGRVWBJEMS-UHFFFAOYSA-N 0 3 324.380 3.188 20 30 DGEDHN C=C(C)CNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000156258815 197099766 /nfs/dbraw/zinc/09/97/66/197099766.db2.gz VNPMLOLAZXBOOC-GOSISDBHSA-N 0 3 315.461 3.116 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC(C)(C)C ZINC000339257668 533186919 /nfs/dbraw/zinc/18/69/19/533186919.db2.gz ZQHOACBQEIAPCE-HNNXBMFYSA-N 0 3 301.434 3.300 20 30 DGEDHN OCC[C@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000279363223 285266560 /nfs/dbraw/zinc/26/65/60/285266560.db2.gz WMAZAQHGBCPINX-ZBFHGGJFSA-N 0 3 311.347 3.198 20 30 DGEDHN OCC[C@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000279363214 285267395 /nfs/dbraw/zinc/26/73/95/285267395.db2.gz WMAZAQHGBCPINX-GDBMZVCRSA-N 0 3 311.347 3.198 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000271623977 209070843 /nfs/dbraw/zinc/07/08/43/209070843.db2.gz DNTJHWYFAZIFJD-HKUYNNGSSA-N 0 3 310.397 3.039 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000157219136 533268195 /nfs/dbraw/zinc/26/81/95/533268195.db2.gz QTZNDDSJBHZLOH-CQSZACIVSA-N 0 3 310.397 3.335 20 30 DGEDHN COc1ccc2c(c1)nc(CNCC(C)(C)CCC#N)n2C ZINC000185838769 533310295 /nfs/dbraw/zinc/31/02/95/533310295.db2.gz ZJOGLABCIQJFQN-UHFFFAOYSA-N 0 3 300.406 3.001 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)nc1 ZINC000180555919 533447798 /nfs/dbraw/zinc/44/77/98/533447798.db2.gz CZRIUIPPZFZXPT-GFCCVEGCSA-N 0 3 301.777 3.488 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000471980335 533509289 /nfs/dbraw/zinc/50/92/89/533509289.db2.gz UXZYHWHZSBFWDE-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN COc1cc(C)c(C[C@H](C)N[C@H]2CCC[C@H]2C#N)cc1OC ZINC000337497150 533575695 /nfs/dbraw/zinc/57/56/95/533575695.db2.gz JKWIVGYKVZYQPY-DZKIICNBSA-N 0 3 302.418 3.225 20 30 DGEDHN C[C@H](C1CCC1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000357038185 533585275 /nfs/dbraw/zinc/58/52/75/533585275.db2.gz MSBPYEPUKXCCJH-CYBMUJFWSA-N 0 3 317.458 3.361 20 30 DGEDHN COC(=O)C[C@@](C)(NCCC(C)(C)C#N)c1cccc(OC)c1 ZINC000352422226 533665705 /nfs/dbraw/zinc/66/57/05/533665705.db2.gz QHEJQSKYVZDQMW-GOSISDBHSA-N 0 3 318.417 3.003 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047498 400088390 /nfs/dbraw/zinc/08/83/90/400088390.db2.gz DSKBEPNQJSFMKK-DCGLDWPTSA-N 0 3 320.389 3.235 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2ccccc2nc1OC ZINC000584698790 400089843 /nfs/dbraw/zinc/08/98/43/400089843.db2.gz BRLXOOYINCNPTM-YJBOKZPZSA-N 0 3 312.413 3.314 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000066473453 400093763 /nfs/dbraw/zinc/09/37/63/400093763.db2.gz VHZMNIXXJILXDE-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(C#N)cc1F ZINC000595061510 400095053 /nfs/dbraw/zinc/09/50/53/400095053.db2.gz OMOHUGXCQLLUAI-VKQKOJTFSA-N 0 3 308.422 3.038 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000066725960 400112558 /nfs/dbraw/zinc/11/25/58/400112558.db2.gz RAUNDTGUYUZFOV-INIZCTEOSA-N 0 3 318.461 3.078 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000595255883 400114163 /nfs/dbraw/zinc/11/41/63/400114163.db2.gz JJFSNROODKDESX-HNNXBMFYSA-N 0 3 313.426 3.052 20 30 DGEDHN CC(C)[C@@H](NCC#Cc1ccc(Cl)cc1)C1(CO)CCC1 ZINC000581561810 400080227 /nfs/dbraw/zinc/08/02/27/400080227.db2.gz LOOHWZUBPNUBBD-QGZVFWFLSA-N 0 3 305.849 3.468 20 30 DGEDHN C=CCC[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000581717221 400082356 /nfs/dbraw/zinc/08/23/56/400082356.db2.gz IAIBNRJNJJOMBU-DOTOQJQBSA-N 0 3 319.376 3.456 20 30 DGEDHN CN(CCc1ccc(C#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000595509715 400172696 /nfs/dbraw/zinc/17/26/96/400172696.db2.gz HXRWVOTWRFIKMN-GOSISDBHSA-N 0 3 314.816 3.420 20 30 DGEDHN CN1CCC(N(C(=O)c2cccc(C#N)c2)c2ccccc2)CC1 ZINC000609566769 400175296 /nfs/dbraw/zinc/17/52/96/400175296.db2.gz LTGFBOGVKWKBSC-UHFFFAOYSA-N 0 3 319.408 3.299 20 30 DGEDHN CN(C)[C@@H](CNc1cnccc1C#N)c1ccc(Cl)cc1 ZINC000091731171 400133944 /nfs/dbraw/zinc/13/39/44/400133944.db2.gz ANWHFEKXNYFHSU-INIZCTEOSA-N 0 3 300.793 3.321 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2cnccc2C#N)CCN1Cc1ccccc1 ZINC000091734706 400135195 /nfs/dbraw/zinc/13/51/95/400135195.db2.gz IKYHFSSUEBCARA-QAPCUYQASA-N 0 3 306.413 3.418 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000092618101 400186837 /nfs/dbraw/zinc/18/68/37/400186837.db2.gz NUJRKHOLYJWQHP-UHFFFAOYSA-N 0 3 323.444 3.070 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2OCCC)CC1 ZINC000067207432 400152215 /nfs/dbraw/zinc/15/22/15/400152215.db2.gz LQJDAMCBRVZHOI-UHFFFAOYSA-N 0 3 314.429 3.068 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NCCN2CCCCC2)c1 ZINC000067319191 400162306 /nfs/dbraw/zinc/16/23/06/400162306.db2.gz GJPLPWIMQJLECT-UHFFFAOYSA-N 0 3 317.433 3.249 20 30 DGEDHN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccsc1 ZINC000067349559 400163275 /nfs/dbraw/zinc/16/32/75/400163275.db2.gz BIJLTMZQZGPORP-CYBMUJFWSA-N 0 3 306.822 3.383 20 30 DGEDHN COC[C@@H](NCCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000595683788 400225933 /nfs/dbraw/zinc/22/59/33/400225933.db2.gz KMVNGMMABUQAHR-LJQANCHMSA-N 0 3 310.397 3.087 20 30 DGEDHN N#Cc1csc(CN(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000093389357 400243882 /nfs/dbraw/zinc/24/38/82/400243882.db2.gz GCFAMYKFPKDWTN-GOSISDBHSA-N 0 3 312.438 3.492 20 30 DGEDHN Cc1ccc(NC(=O)CCCCCC#N)c(OCCN(C)C)c1 ZINC000588931489 400248169 /nfs/dbraw/zinc/24/81/69/400248169.db2.gz IQGLQYWIQADAIA-UHFFFAOYSA-N 0 3 317.433 3.348 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(C#N)s3)C2)cc1 ZINC000601159115 400252326 /nfs/dbraw/zinc/25/23/26/400252326.db2.gz HDFAPUNALZETBM-MRXNPFEDSA-N 0 3 311.454 3.292 20 30 DGEDHN N#CCCCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000588149807 400192057 /nfs/dbraw/zinc/19/20/57/400192057.db2.gz SCQPWSLHNFFZOF-UHFFFAOYSA-N 0 3 313.445 3.025 20 30 DGEDHN CC(C)COc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1 ZINC000609921771 400202851 /nfs/dbraw/zinc/20/28/51/400202851.db2.gz BTJTXOBTHGWPRV-AWEZNQCLSA-N 0 3 302.418 3.275 20 30 DGEDHN N#CC[C@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000595611997 400204762 /nfs/dbraw/zinc/20/47/62/400204762.db2.gz RCSQPFKBSIKKDV-CYBMUJFWSA-N 0 3 316.430 3.356 20 30 DGEDHN Cc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)c(C)n1 ZINC000595768661 400254359 /nfs/dbraw/zinc/25/43/59/400254359.db2.gz KISAZISEFPBATB-UHFFFAOYSA-N 0 3 321.424 3.366 20 30 DGEDHN CSc1ccccc1NC(=O)CCN1CCC[C@@H](CC#N)C1 ZINC000595614388 400207166 /nfs/dbraw/zinc/20/71/66/400207166.db2.gz HIAOFVRYYGLCPG-AWEZNQCLSA-N 0 3 317.458 3.363 20 30 DGEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CCOCC1)CC(C)C ZINC000595768262 400254609 /nfs/dbraw/zinc/25/46/09/400254609.db2.gz HPYTXEOCRNIVAB-SFHVURJKSA-N 0 3 316.445 3.215 20 30 DGEDHN Cc1ccccc1OC[C@H](O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595635346 400213708 /nfs/dbraw/zinc/21/37/08/400213708.db2.gz JEHNDHNLDJEEKY-GOSISDBHSA-N 0 3 324.424 3.131 20 30 DGEDHN COC(=O)c1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595633153 400213946 /nfs/dbraw/zinc/21/39/46/400213946.db2.gz MUEINPQVFKNTNP-UHFFFAOYSA-N 0 3 308.381 3.370 20 30 DGEDHN COc1cccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000026221990 400254954 /nfs/dbraw/zinc/25/49/54/400254954.db2.gz JEZVWJOZVUAJJW-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN CCc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)N(C)C)cc1 ZINC000024053836 400215576 /nfs/dbraw/zinc/21/55/76/400215576.db2.gz CVIXPRREAACFNV-GOSISDBHSA-N 0 3 323.444 3.242 20 30 DGEDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)Cc1ccccc1 ZINC000067948585 400218792 /nfs/dbraw/zinc/21/87/92/400218792.db2.gz WFMVNONZOHFFLU-QGZVFWFLSA-N 0 3 324.384 3.051 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H]1Cc1ccccc1 ZINC000589151149 400264786 /nfs/dbraw/zinc/26/47/86/400264786.db2.gz DVENFPNIGOUVSQ-IBGZPJMESA-N 0 3 312.457 3.284 20 30 DGEDHN C[C@H]1COC2(CCCC2)CN1CCCC1(C#N)CCOCC1 ZINC000595809020 400265589 /nfs/dbraw/zinc/26/55/89/400265589.db2.gz RAEBFVODCHFNSA-INIZCTEOSA-N 0 3 306.450 3.120 20 30 DGEDHN CC(C)CC1(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000595832232 400274921 /nfs/dbraw/zinc/27/49/21/400274921.db2.gz UNUJPLINYMAZCT-MRXNPFEDSA-N 0 3 313.445 3.490 20 30 DGEDHN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1cccc(F)c1 ZINC000068659150 400277709 /nfs/dbraw/zinc/27/77/09/400277709.db2.gz HEBQVFDNOWOQEO-OAHLLOKOSA-N 0 3 318.783 3.461 20 30 DGEDHN C=CCCCCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595911444 400293353 /nfs/dbraw/zinc/29/33/53/400293353.db2.gz HJLJPTQUYIJAAG-ZDUSSCGKSA-N 0 3 308.447 3.465 20 30 DGEDHN N#Cc1ccccc1OCCN1CC[C@H](Nc2ccccc2)C1 ZINC000102846161 400304366 /nfs/dbraw/zinc/30/43/66/400304366.db2.gz AOXNJWXTUUIXCK-SFHVURJKSA-N 0 3 307.397 3.123 20 30 DGEDHN CC(C)[C@H]1CN(c2cccc(Br)c2C#N)CCN1C ZINC000589596549 400307017 /nfs/dbraw/zinc/30/70/17/400307017.db2.gz NDRLDDBFQDPFGO-OAHLLOKOSA-N 0 3 322.250 3.097 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H](CNCc1cc(C#N)cs1)C1CCC1 ZINC000596061902 400307893 /nfs/dbraw/zinc/30/78/93/400307893.db2.gz CEWGXHZTYSRTDY-HNNXBMFYSA-N 0 3 320.458 3.467 20 30 DGEDHN COC(=O)C[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000610859201 400315763 /nfs/dbraw/zinc/31/57/63/400315763.db2.gz OVYWVRIJDLZBIR-INIZCTEOSA-N 0 3 314.429 3.405 20 30 DGEDHN Cc1ccc([C@H](CNc2nc(C#N)ccc2C)N2CCCC2)o1 ZINC000596109795 400319575 /nfs/dbraw/zinc/31/95/75/400319575.db2.gz KBBAKAJLYICLJT-INIZCTEOSA-N 0 3 310.401 3.412 20 30 DGEDHN N#Cc1cccc(OCCN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595784549 400258035 /nfs/dbraw/zinc/25/80/35/400258035.db2.gz BGDRDHVVAYERTO-IBGZPJMESA-N 0 3 314.429 3.218 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784855 400258234 /nfs/dbraw/zinc/25/82/34/400258234.db2.gz BZFRRKASFRLCJG-LPHOPBHVSA-N 0 3 314.429 3.348 20 30 DGEDHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000611388495 400389638 /nfs/dbraw/zinc/38/96/38/400389638.db2.gz PHENKVACKGXENW-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611388316 400389848 /nfs/dbraw/zinc/38/98/48/400389848.db2.gz ZVPJKFJPDIHQLT-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC(C)(C)[C@H]1C1CC1 ZINC000578229726 400326940 /nfs/dbraw/zinc/32/69/40/400326940.db2.gz IYXQXKOKHJIVRP-IEBWSBKVSA-N 0 3 315.457 3.275 20 30 DGEDHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000030532533 400327829 /nfs/dbraw/zinc/32/78/29/400327829.db2.gz MZEPVGYDSHZJFF-APWZRJJASA-N 0 3 324.424 3.266 20 30 DGEDHN CCN1CCN(c2cccc(NC[C@@H](C)CCC#N)c2)CC1 ZINC000589821904 400331659 /nfs/dbraw/zinc/33/16/59/400331659.db2.gz BHUOPEAYCPGMDL-INIZCTEOSA-N 0 3 300.450 3.180 20 30 DGEDHN Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611389506 400391136 /nfs/dbraw/zinc/39/11/36/400391136.db2.gz XWIMVSDDADBUBH-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN C[C@H](COCC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392335 400391151 /nfs/dbraw/zinc/39/11/51/400391151.db2.gz MPCSOEPTVDEAMZ-ABAIWWIYSA-N 0 3 312.335 3.493 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1nc(C#N)c(Cl)s1 ZINC000596158043 400335257 /nfs/dbraw/zinc/33/52/57/400335257.db2.gz NTWZJWDMOKJLKH-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN N#Cc1nc(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)sc1Cl ZINC000596170568 400339539 /nfs/dbraw/zinc/33/95/39/400339539.db2.gz UXPBSZSFFXXCCR-GWCFXTLKSA-N 0 3 322.865 3.121 20 30 DGEDHN CN(C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611390671 400391621 /nfs/dbraw/zinc/39/16/21/400391621.db2.gz NMZNNLBKODGJEM-SFHVURJKSA-N 0 3 306.413 3.186 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2(C)CCCCC2)CC1 ZINC000580017528 400344983 /nfs/dbraw/zinc/34/49/83/400344983.db2.gz OASBJKDLTYZVPV-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN CN(C(=O)[C@H](N)CCCC#N)c1ccc(-c2ccccc2)cc1 ZINC000581006099 400349359 /nfs/dbraw/zinc/34/93/59/400349359.db2.gz BZRHBRDSONJJSS-GOSISDBHSA-N 0 3 307.397 3.338 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)c1ccc2ccccc2n1 ZINC000611249121 400364055 /nfs/dbraw/zinc/36/40/55/400364055.db2.gz ITXJJCXJZSREAA-MRXNPFEDSA-N 0 3 301.349 3.158 20 30 DGEDHN Cc1cccc(CN2CC[C@@H](NC(=O)CCCCCC#N)C2)c1 ZINC000601852165 400364818 /nfs/dbraw/zinc/36/48/18/400364818.db2.gz XTXXFMFXLXRWOS-GOSISDBHSA-N 0 3 313.445 3.160 20 30 DGEDHN CC(C)(CN1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000611410511 400395690 /nfs/dbraw/zinc/39/56/90/400395690.db2.gz AWLLDYDUZMEZHG-UHFFFAOYSA-N 0 3 320.440 3.053 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1cccc(C#N)c1 ZINC000590556903 400396032 /nfs/dbraw/zinc/39/60/32/400396032.db2.gz SEKJLBFCVVROAD-UHFFFAOYSA-N 0 3 308.385 3.228 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3nccc3C)cc2)n1 ZINC000041518635 400409301 /nfs/dbraw/zinc/40/93/01/400409301.db2.gz NQMNXMPBYSLOHW-OAHLLOKOSA-N 0 3 322.393 3.436 20 30 DGEDHN N#CCN1CCC(NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000611543132 400418850 /nfs/dbraw/zinc/41/88/50/400418850.db2.gz VPTFGFQVWRLJFW-UHFFFAOYSA-N 0 3 311.385 3.149 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)Nc1nc2ncccc2cc1C#N ZINC000596489896 400427908 /nfs/dbraw/zinc/42/79/08/400427908.db2.gz XKSFQYAWBPRTGJ-AWEZNQCLSA-N 0 3 309.417 3.034 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C1CC1)C(C)C ZINC000590855461 400449139 /nfs/dbraw/zinc/44/91/39/400449139.db2.gz YIBDVYFVXOKPQX-MSOLQXFVSA-N 0 3 319.493 3.269 20 30 DGEDHN C[C@H](CO)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000121328025 400453993 /nfs/dbraw/zinc/45/39/93/400453993.db2.gz IXKLNECOCZUSMA-HNNXBMFYSA-N 0 3 312.388 3.328 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000127165669 400500664 /nfs/dbraw/zinc/50/06/64/400500664.db2.gz GLNHTEXKQYIIQQ-HNNXBMFYSA-N 0 3 319.836 3.206 20 30 DGEDHN CCN(Cc1cccc(C#N)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000602439529 400463032 /nfs/dbraw/zinc/46/30/32/400463032.db2.gz DNLXMILIBGFFHC-OAHLLOKOSA-N 0 3 309.413 3.415 20 30 DGEDHN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](C)CCC#N ZINC000602441363 400463948 /nfs/dbraw/zinc/46/39/48/400463948.db2.gz DBXYGMBBCZNAFM-CQSZACIVSA-N 0 3 312.417 3.486 20 30 DGEDHN CCC[C@@H](CN1CCC(Oc2cccc(C#N)c2)CC1)OC ZINC000602454091 400466903 /nfs/dbraw/zinc/46/69/03/400466903.db2.gz OIBFPTYRRIGMQG-SFHVURJKSA-N 0 3 302.418 3.217 20 30 DGEDHN CN(C)Cc1ccc(F)c(-c2cccc(C[C@@H](C#N)CO)c2)c1 ZINC000596640964 400468897 /nfs/dbraw/zinc/46/88/97/400468897.db2.gz SDDYACWLJCNOMU-INIZCTEOSA-N 0 3 312.388 3.229 20 30 DGEDHN COc1ccc(C[C@H]2CCCN(Cc3cccc(C#N)n3)C2)cc1 ZINC000602469737 400469949 /nfs/dbraw/zinc/46/99/49/400469949.db2.gz WIRQAPGZPLCXEG-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN COc1cccc([C@H](CNc2ccc(C#N)cn2)N2CCCC2)c1 ZINC000073868754 400474642 /nfs/dbraw/zinc/47/46/42/400474642.db2.gz BKFSFQYVGVVWAO-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1OC(F)F ZINC000602508707 400482732 /nfs/dbraw/zinc/48/27/32/400482732.db2.gz WDQIRQMUFQHXBT-ZDUSSCGKSA-N 0 3 324.371 3.477 20 30 DGEDHN CCN(CC)[C@H](CNCc1cccc(C#N)n1)c1ccsc1 ZINC000602510114 400483475 /nfs/dbraw/zinc/48/34/75/400483475.db2.gz JYYXVJLXWMMHIO-QGZVFWFLSA-N 0 3 314.458 3.187 20 30 DGEDHN N#Cc1cccc(CNCCOc2ccc(C(F)(F)F)cc2)n1 ZINC000602517935 400485951 /nfs/dbraw/zinc/48/59/51/400485951.db2.gz HOLYBFVDWUTSEC-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN Cc1ccc([C@H](CNCc2cccc(C#N)n2)N2CCCC2)cc1 ZINC000602534416 400490768 /nfs/dbraw/zinc/49/07/68/400490768.db2.gz SINGDOQHZNPAPT-FQEVSTJZSA-N 0 3 320.440 3.188 20 30 DGEDHN N#CCCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602541826 400492001 /nfs/dbraw/zinc/49/20/01/400492001.db2.gz RAQGLEQQGJZRPZ-UHFFFAOYSA-N 0 3 301.268 3.397 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H](CCCO)c1ccccc1 ZINC000602551310 400494588 /nfs/dbraw/zinc/49/45/88/400494588.db2.gz IAXPTMMCTLGYOI-FUHWJXTLSA-N 0 3 316.445 3.189 20 30 DGEDHN COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000612117321 400494784 /nfs/dbraw/zinc/49/47/84/400494784.db2.gz ALAFUQIDDZIDAQ-KRWDZBQOSA-N 0 3 314.429 3.164 20 30 DGEDHN Cc1cc(F)ccc1N1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602553145 400495097 /nfs/dbraw/zinc/49/50/97/400495097.db2.gz VTENYWQPKBGLQY-GOSISDBHSA-N 0 3 324.403 3.159 20 30 DGEDHN CC(C)C[C@@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000591163849 400495942 /nfs/dbraw/zinc/49/59/42/400495942.db2.gz YPWJCLXGOYSOTK-SFHVURJKSA-N 0 3 313.445 3.341 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618352446 400571536 /nfs/dbraw/zinc/57/15/36/400571536.db2.gz NXVMBXBCSQGNPN-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597172056 400576736 /nfs/dbraw/zinc/57/67/36/400576736.db2.gz AFIXGQRRIGPVRG-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCOc2c(F)cccc21 ZINC000602624426 400515122 /nfs/dbraw/zinc/51/51/22/400515122.db2.gz BAVBFOCDWIDSQR-XJKSGUPXSA-N 0 3 318.392 3.338 20 30 DGEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000591417831 400522341 /nfs/dbraw/zinc/52/23/41/400522341.db2.gz OUVHMQAJWBRLDQ-GFCCVEGCSA-N 0 3 314.414 3.390 20 30 DGEDHN COCCC[C@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602650095 400523596 /nfs/dbraw/zinc/52/35/96/400523596.db2.gz RRTBNYXIKXKKOQ-QGZVFWFLSA-N 0 3 309.413 3.081 20 30 DGEDHN CC1(C)CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1 ZINC000591444523 400527169 /nfs/dbraw/zinc/52/71/69/400527169.db2.gz FHNLNSUXQHHEOZ-UHFFFAOYSA-N 0 3 318.783 3.087 20 30 DGEDHN C[C@H](CNC(=O)CC1(C#N)CCCCC1)N1CCC(C)CC1 ZINC000596969137 400530736 /nfs/dbraw/zinc/53/07/36/400530736.db2.gz CIJVQKCLABRKBD-MRXNPFEDSA-N 0 3 305.466 3.087 20 30 DGEDHN CN(c1ccc(C#N)cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074775109 400534357 /nfs/dbraw/zinc/53/43/57/400534357.db2.gz JZIGAXKZSJKIQO-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN CN(Cc1ccccc1)C1(CNCc2cccc(C#N)n2)CCC1 ZINC000602676846 400535248 /nfs/dbraw/zinc/53/52/48/400535248.db2.gz SHRYHARDVDEUSC-UHFFFAOYSA-N 0 3 320.440 3.098 20 30 DGEDHN CN(CCC(=O)OC(C)(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597013107 400538419 /nfs/dbraw/zinc/53/84/19/400538419.db2.gz CZBHKAMSRMPDSK-UHFFFAOYSA-N 0 3 314.429 3.405 20 30 DGEDHN Cc1cc(CN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C#N ZINC000618193463 400547208 /nfs/dbraw/zinc/54/72/08/400547208.db2.gz FVDUUSJXIDDIDA-GFCCVEGCSA-N 0 3 306.369 3.299 20 30 DGEDHN Cc1nn(-c2ccccc2)cc1CCCNC[C@@H](C#N)CCC#N ZINC000591726079 400552281 /nfs/dbraw/zinc/55/22/81/400552281.db2.gz IQLNIIKDWBROHO-QGZVFWFLSA-N 0 3 321.428 3.146 20 30 DGEDHN N#CCC[C@@H](C#N)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000591736993 400553524 /nfs/dbraw/zinc/55/35/24/400553524.db2.gz QBEOCURQPRJOFY-HKUYNNGSSA-N 0 3 310.445 3.247 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602805871 400580332 /nfs/dbraw/zinc/58/03/32/400580332.db2.gz RAXFVKRUICXLDW-INIZCTEOSA-N 0 3 300.402 3.353 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cc3ccccc3n2CC#N)n1 ZINC000591861732 400566923 /nfs/dbraw/zinc/56/69/23/400566923.db2.gz CZYOHKCIZYZACD-CYBMUJFWSA-N 0 3 320.377 3.420 20 30 DGEDHN CCCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCN(C)C1 ZINC000592238894 400627668 /nfs/dbraw/zinc/62/76/68/400627668.db2.gz VNICPIYJNRXQBS-ZDUSSCGKSA-N 0 3 320.824 3.160 20 30 DGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597456757 400633265 /nfs/dbraw/zinc/63/32/65/400633265.db2.gz UYTNOHBZLUIOLZ-OAHLLOKOSA-N 0 3 305.466 3.039 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCN(c2ccncc2)CC1 ZINC000135280285 400586047 /nfs/dbraw/zinc/58/60/47/400586047.db2.gz FNAMSNOPFWYOSM-UHFFFAOYSA-N 0 3 320.440 3.205 20 30 DGEDHN CN(Cc1cccc(OCCCC#N)c1)CC1=CCCOC1 ZINC000597206385 400587385 /nfs/dbraw/zinc/58/73/85/400587385.db2.gz PPTKLGZHJZTJGD-UHFFFAOYSA-N 0 3 300.402 3.148 20 30 DGEDHN CN(C)CCN(C(=O)CC1(C#N)CCCCC1)C1CCCC1 ZINC000597222268 400591342 /nfs/dbraw/zinc/59/13/42/400591342.db2.gz WOQDERDCYCBOTL-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN COc1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1C#N ZINC000597226728 400592932 /nfs/dbraw/zinc/59/29/32/400592932.db2.gz XGOQGAZHLKBTMQ-MSOLQXFVSA-N 0 3 314.429 3.348 20 30 DGEDHN CCCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010774 400595099 /nfs/dbraw/zinc/59/50/99/400595099.db2.gz KEUWTQJRIXPTFU-UHFFFAOYSA-N 0 3 301.434 3.029 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000592069478 400602084 /nfs/dbraw/zinc/60/20/84/400602084.db2.gz RKHUCVRYPLFIJR-RHSMWYFYSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000592077141 400602739 /nfs/dbraw/zinc/60/27/39/400602739.db2.gz AOAHQVCXQPCLHB-UHFFFAOYSA-N 0 3 316.445 3.244 20 30 DGEDHN N#Cc1ccc([C@@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000602917706 400605384 /nfs/dbraw/zinc/60/53/84/400605384.db2.gz HNYKMNXJEFXFCK-GUDVDZBRSA-N 0 3 319.408 3.011 20 30 DGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000047304158 400609906 /nfs/dbraw/zinc/60/99/06/400609906.db2.gz CLVJDIFJXKTURR-UHFFFAOYSA-N 0 3 319.408 3.409 20 30 DGEDHN Cc1ccccc1C1(NCCC(=O)Nc2ccccc2C#N)CC1 ZINC000592140010 400612621 /nfs/dbraw/zinc/61/26/21/400612621.db2.gz STDSIKOVWHGWMX-UHFFFAOYSA-N 0 3 319.408 3.474 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000613107054 400655588 /nfs/dbraw/zinc/65/55/88/400655588.db2.gz REZTZMIOVKLUAF-PBHICJAKSA-N 0 3 313.445 3.246 20 30 DGEDHN COCc1cc(C#N)ccc1NC[C@@H](c1cccs1)N(C)C ZINC000603272944 400662596 /nfs/dbraw/zinc/66/25/96/400662596.db2.gz FEOYRTUHUMMFRF-INIZCTEOSA-N 0 3 315.442 3.481 20 30 DGEDHN C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN(C2CCC2)C1 ZINC000597690025 400660724 /nfs/dbraw/zinc/66/07/24/400660724.db2.gz ZXRLUIJFNMGQJE-MRXNPFEDSA-N 0 3 317.477 3.183 20 30 DGEDHN C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000613188777 400669909 /nfs/dbraw/zinc/66/99/09/400669909.db2.gz BRKUBFIIUPPUTG-MAUKXSAKSA-N 0 3 317.477 3.087 20 30 DGEDHN Cn1cnc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc21 ZINC000618742089 400680529 /nfs/dbraw/zinc/68/05/29/400680529.db2.gz JONYNDTWBYIEGR-KRWDZBQOSA-N 0 3 302.381 3.222 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1cccnc1[N+](=O)[O-])C(C)C ZINC000603845657 400722822 /nfs/dbraw/zinc/72/28/22/400722822.db2.gz FHJKSHKYBVEOJN-OAHLLOKOSA-N 0 3 304.394 3.100 20 30 DGEDHN CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCN(CC)C1 ZINC000598039430 400723764 /nfs/dbraw/zinc/72/37/64/400723764.db2.gz JWYBTRXSGVGZCX-QZTJIDSGSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077579471 400728222 /nfs/dbraw/zinc/72/82/22/400728222.db2.gz LZAWKORSFHUCHK-DLBZAZTESA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000165718941 400751738 /nfs/dbraw/zinc/75/17/38/400751738.db2.gz QECZHBKOMDUEGJ-PKOBYXMFSA-N 0 3 315.461 3.418 20 30 DGEDHN C=CCCSCCNC(=O)C(C#N)CCc1ccccc1 ZINC000597967150 400704978 /nfs/dbraw/zinc/70/49/78/400704978.db2.gz PTEBLSGEZVPHDU-INIZCTEOSA-N 0 3 302.443 3.184 20 30 DGEDHN C[C@H]1CC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000597980615 400711209 /nfs/dbraw/zinc/71/12/09/400711209.db2.gz UGELUOLBJCEDOP-SPYBWZPUSA-N 0 3 323.440 3.429 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000078587424 400813057 /nfs/dbraw/zinc/81/30/57/400813057.db2.gz XSHVPUHOPQQMAL-QFBILLFUSA-N 0 3 308.425 3.251 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(C)(C)C ZINC000078069945 400767915 /nfs/dbraw/zinc/76/79/15/400767915.db2.gz QULDPOMCRJVGKL-UHFFFAOYSA-N 0 3 315.461 3.275 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000598264749 400771713 /nfs/dbraw/zinc/77/17/13/400771713.db2.gz QMLXEOQWXYJUED-ZDUSSCGKSA-N 0 3 319.836 3.062 20 30 DGEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000604484256 400779162 /nfs/dbraw/zinc/77/91/62/400779162.db2.gz IZBOXILGUQNLQO-LJQANCHMSA-N 0 3 308.381 3.480 20 30 DGEDHN CCCCCN(CCNC(=O)C(C)(C)C#N)Cc1ccccc1 ZINC000593249726 400801090 /nfs/dbraw/zinc/80/10/90/400801090.db2.gz KETVWPZUUHVSKM-UHFFFAOYSA-N 0 3 315.461 3.345 20 30 DGEDHN CC[C@H](C#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000593539883 400872857 /nfs/dbraw/zinc/87/28/57/400872857.db2.gz XIAFOBFQKYQHGU-OAHLLOKOSA-N 0 3 315.417 3.040 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000181111198 400888063 /nfs/dbraw/zinc/88/80/63/400888063.db2.gz LQMKVCLXBOMSAY-IAGOWNOFSA-N 0 3 307.482 3.391 20 30 DGEDHN COCCN(Cc1ccc(C)cc1C)C[C@H](O)CC(C)(C)C#N ZINC000598587358 400837558 /nfs/dbraw/zinc/83/75/58/400837558.db2.gz REYMPVDIPPMZJC-GOSISDBHSA-N 0 3 318.461 3.053 20 30 DGEDHN COc1c(C)cc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1C ZINC000598590278 400839046 /nfs/dbraw/zinc/83/90/46/400839046.db2.gz OHEUYQKFMBDRDY-MRXNPFEDSA-N 0 3 304.434 3.045 20 30 DGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)CC(C)(C)C#N)CCC2 ZINC000598596001 400840648 /nfs/dbraw/zinc/84/06/48/400840648.db2.gz NHNGASINJRIELT-JSGCOSHPSA-N 0 3 307.463 3.062 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000598595731 400840661 /nfs/dbraw/zinc/84/06/61/400840661.db2.gz GZAMFCFCVFHBMW-UONOGXRCSA-N 0 3 322.836 3.094 20 30 DGEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@H](O)CC(C)(C)C#N ZINC000598598868 400841347 /nfs/dbraw/zinc/84/13/47/400841347.db2.gz FIOPWYNXHXJIJW-XJKCOSOUSA-N 0 3 304.409 3.434 20 30 DGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598612731 400844690 /nfs/dbraw/zinc/84/46/90/400844690.db2.gz CYIDZAWCLMJMFN-HOTGVXAUSA-N 0 3 324.852 3.260 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000598622692 400845716 /nfs/dbraw/zinc/84/57/16/400845716.db2.gz MWFYIBDPGNMBBR-WMZOPIPTSA-N 0 3 304.409 3.090 20 30 DGEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccn1 ZINC000598628352 400847065 /nfs/dbraw/zinc/84/70/65/400847065.db2.gz PUDFKGMRKKBAGO-UHFFFAOYSA-N 0 3 307.397 3.057 20 30 DGEDHN N#CCCn1cc(CN2CC(CC3CC3)C2)c(-c2ccncc2)n1 ZINC000598679129 400856812 /nfs/dbraw/zinc/85/68/12/400856812.db2.gz XWZQNBUMJSTAPJ-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000598723228 400865713 /nfs/dbraw/zinc/86/57/13/400865713.db2.gz FJQPEMWWTOVFAZ-ZFWWWQNUSA-N 0 3 320.408 3.318 20 30 DGEDHN CC(C)(CCC#N)CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599058539 400942897 /nfs/dbraw/zinc/94/28/97/400942897.db2.gz JCHWMURAIYHLAZ-MRXNPFEDSA-N 0 3 320.481 3.023 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)CC)CC1 ZINC000606681905 400945879 /nfs/dbraw/zinc/94/58/79/400945879.db2.gz ADVYJVBYZCTCFP-RDJZCZTQSA-N 0 3 307.482 3.247 20 30 DGEDHN C[C@@H](NC[C@H]1CCCN1CC(F)F)c1ccc(C#N)cc1F ZINC000599067226 400946596 /nfs/dbraw/zinc/94/65/96/400946596.db2.gz YWLVFSIUEFTXGJ-DGCLKSJQSA-N 0 3 311.351 3.077 20 30 DGEDHN C=CCNC(=O)CN[C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000181863381 400890011 /nfs/dbraw/zinc/89/00/11/400890011.db2.gz HGBHKRISKXYSNL-AWEZNQCLSA-N 0 3 314.351 3.438 20 30 DGEDHN C=C(C)CN[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181643765 400890223 /nfs/dbraw/zinc/89/02/23/400890223.db2.gz FBSXSPJCYUWPMF-OAHLLOKOSA-N 0 3 305.441 3.194 20 30 DGEDHN CCSc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000182134783 400892355 /nfs/dbraw/zinc/89/23/55/400892355.db2.gz QQWPCFMILWOLJP-AWEZNQCLSA-N 0 3 319.474 3.211 20 30 DGEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccccc1C(C)(C)C#N ZINC000182651178 400895687 /nfs/dbraw/zinc/89/56/87/400895687.db2.gz NTXZANYEEAWUAV-CQSZACIVSA-N 0 3 302.418 3.261 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000614406219 400895890 /nfs/dbraw/zinc/89/58/90/400895890.db2.gz XPPKFPLOOOWQCZ-QGZVFWFLSA-N 0 3 314.429 3.420 20 30 DGEDHN CC(C)[C@H](NCCC(=O)N(C)CCC#N)c1ccccc1Cl ZINC000183703077 400901158 /nfs/dbraw/zinc/90/11/58/400901158.db2.gz WJVQUBOODOFMCP-KRWDZBQOSA-N 0 3 321.852 3.389 20 30 DGEDHN CN(CCc1ccncc1)Cc1cccc(OCCCC#N)c1 ZINC000183760298 400902441 /nfs/dbraw/zinc/90/24/41/400902441.db2.gz OBUSZGWWQVOBPI-UHFFFAOYSA-N 0 3 309.413 3.439 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCc2cccnc21 ZINC000598950335 400909753 /nfs/dbraw/zinc/90/97/53/400909753.db2.gz JNAXFSYTSVWREB-ZWKOTPCHSA-N 0 3 319.408 3.000 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598978695 400919103 /nfs/dbraw/zinc/91/91/03/400919103.db2.gz QXSYKMRZRUICJR-OLZOCXBDSA-N 0 3 309.431 3.137 20 30 DGEDHN C[C@@H](NC[C@H]1CN(c2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000593971043 400930652 /nfs/dbraw/zinc/93/06/52/400930652.db2.gz CYMZOAFBKQDJPC-UZLBHIALSA-N 0 3 321.424 3.114 20 30 DGEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000080231303 400933689 /nfs/dbraw/zinc/93/36/89/400933689.db2.gz PHMZXRRXRCPNNE-RDJZCZTQSA-N 0 3 306.413 3.418 20 30 DGEDHN N#CCCCOc1cccc(CNCc2ccccc2CO)c1 ZINC000237979689 400996771 /nfs/dbraw/zinc/99/67/71/400996771.db2.gz HXRJRHLBRIVQQY-UHFFFAOYSA-N 0 3 310.397 3.151 20 30 DGEDHN CCOC(=O)CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599262105 401006155 /nfs/dbraw/zinc/00/61/55/401006155.db2.gz CAWOTSMHMHQXNZ-UHFFFAOYSA-N 0 3 300.402 3.032 20 30 DGEDHN CCN(CCOC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000599270359 401007665 /nfs/dbraw/zinc/00/76/65/401007665.db2.gz HSMFKMCRGKCDEE-HNNXBMFYSA-N 0 3 302.418 3.137 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2ccncc2)C1 ZINC000594359540 401050215 /nfs/dbraw/zinc/05/02/15/401050215.db2.gz IPMREVWBDTVSBH-MOPGFXCFSA-N 0 3 319.408 3.170 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515225 401066282 /nfs/dbraw/zinc/06/62/82/401066282.db2.gz AZEQMUJTDQCHFT-GJZGRUSLSA-N 0 3 320.383 3.199 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000594445191 401071436 /nfs/dbraw/zinc/07/14/36/401071436.db2.gz BJDVXCVTXZTGRE-QWHCGFSZSA-N 0 3 319.371 3.025 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCCC(F)(F)CC1 ZINC000599551883 401074434 /nfs/dbraw/zinc/07/44/34/401074434.db2.gz TWRRNNWSAZKBGO-UHFFFAOYSA-N 0 3 313.373 3.070 20 30 DGEDHN COc1ccccc1[C@H](CC(C)C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599354187 401031993 /nfs/dbraw/zinc/03/19/93/401031993.db2.gz NMDOGYNLQCUPLP-RDJZCZTQSA-N 0 3 316.445 3.427 20 30 DGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H](c1ccccc1)C1CC1 ZINC000599353234 401032326 /nfs/dbraw/zinc/03/23/26/401032326.db2.gz GVPORWLXFTUJJK-ICSRJNTNSA-N 0 3 322.408 3.039 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000599646682 401101448 /nfs/dbraw/zinc/10/14/48/401101448.db2.gz JXARPLCPGCUKBN-KZNAEPCWSA-N 0 3 312.413 3.030 20 30 DGEDHN CO[C@H](CN1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599676540 401109713 /nfs/dbraw/zinc/10/97/13/401109713.db2.gz BFVBMEPLLQOMAO-HXUWFJFHSA-N 0 3 306.409 3.498 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCCCC#N ZINC000060366560 401110061 /nfs/dbraw/zinc/11/00/61/401110061.db2.gz QJIQZDBUFREKRG-GJZGRUSLSA-N 0 3 309.454 3.448 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)cs1 ZINC000084186502 401131880 /nfs/dbraw/zinc/13/18/80/401131880.db2.gz WTVLMSOJACGEDC-CQSZACIVSA-N 0 3 305.447 3.004 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000594516282 401092267 /nfs/dbraw/zinc/09/22/67/401092267.db2.gz XPBJHGRVMTUPMX-NEPJUHHUSA-N 0 3 306.381 3.326 20 30 DGEDHN Cc1cccc([C@H](NCC(=O)N[C@](C)(C#N)C2CC2)C(C)C)c1 ZINC000599627218 401095188 /nfs/dbraw/zinc/09/51/88/401095188.db2.gz KDUGZWBSKWJDKI-RTBURBONSA-N 0 3 313.445 3.090 20 30 DGEDHN CC(C)[C@H](CNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000594519430 401097581 /nfs/dbraw/zinc/09/75/81/401097581.db2.gz QVGZZBVFPNFMDY-AWEZNQCLSA-N 0 3 308.447 3.323 20 30 DGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(C#N)cc1F ZINC000594519357 401098008 /nfs/dbraw/zinc/09/80/08/401098008.db2.gz JZPJYWWYAVNPJP-MORSLUCNSA-N 0 3 301.409 3.365 20 30 DGEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cc(C)ccc1C ZINC000599640641 401099972 /nfs/dbraw/zinc/09/99/72/401099972.db2.gz LNKZQHZBROQIQN-PKOBYXMFSA-N 0 3 313.445 3.153 20 30 DGEDHN N#Cc1ccc(CCNCc2cnc([C@H]3CCCO3)s2)cc1 ZINC000594955634 401204903 /nfs/dbraw/zinc/20/49/03/401204903.db2.gz QKPPVEQJPOAADH-MRXNPFEDSA-N 0 3 313.426 3.199 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCN(c3ccccc3Cl)C2)o1 ZINC000594955103 401205661 /nfs/dbraw/zinc/20/56/61/401205661.db2.gz NSDIYEWYCFRATJ-ZDUSSCGKSA-N 0 3 315.804 3.421 20 30 DGEDHN CCC[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OCC ZINC000600174784 401208181 /nfs/dbraw/zinc/20/81/81/401208181.db2.gz OAEZRJWKUBTAEE-SJORKVTESA-N 0 3 302.418 3.080 20 30 DGEDHN CO[C@](C)(CNCc1ccc(C#N)cc1)COCc1ccccc1 ZINC000594975316 401216575 /nfs/dbraw/zinc/21/65/75/401216575.db2.gz QQQFQKAVXZTFGK-HXUWFJFHSA-N 0 3 324.424 3.270 20 30 DGEDHN Cc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065931328 401286137 /nfs/dbraw/zinc/28/61/37/401286137.db2.gz MDJUSBDVCMKODV-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000065140970 401258035 /nfs/dbraw/zinc/25/80/35/401258035.db2.gz JZMOGQMRNIINRL-HNAYVOBHSA-N 0 3 319.408 3.124 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H](C)[C@@H](CO)C2)ccc1OC ZINC000621736826 401290444 /nfs/dbraw/zinc/29/04/44/401290444.db2.gz HFXJEUOJOCZVSN-DOTOQJQBSA-N 0 3 319.445 3.100 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000630942459 401357635 /nfs/dbraw/zinc/35/76/35/401357635.db2.gz JPQBYGXEIDSRKL-MSOLQXFVSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC000635531201 401452148 /nfs/dbraw/zinc/45/21/48/401452148.db2.gz QLRASKRFSGYXMN-VOTSOKGWSA-N 0 3 312.457 3.332 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cccc(OC)c1OC ZINC000631632461 401519429 /nfs/dbraw/zinc/51/94/29/401519429.db2.gz OGTCTPYHMMZADN-OAGGEKHMSA-N 0 3 305.418 3.478 20 30 DGEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)C1 ZINC000637139919 401616485 /nfs/dbraw/zinc/61/64/85/401616485.db2.gz QHWAJYZIMPOUNF-BZUAXINKSA-N 0 3 319.449 3.316 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)N(C)C ZINC000298777923 286742110 /nfs/dbraw/zinc/74/21/10/286742110.db2.gz DKFDWSNRJZSZJG-RYUDHWBXSA-N 0 3 314.216 3.014 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000179962411 164871050 /nfs/dbraw/zinc/87/10/50/164871050.db2.gz NAHOQIYHODIGTD-DNVCBOLYSA-N 0 3 319.408 3.404 20 30 DGEDHN C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000185940066 165021837 /nfs/dbraw/zinc/02/18/37/165021837.db2.gz CGUNGXWCEQHJSA-KBXCAEBGSA-N 0 3 322.412 3.371 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000189348256 165158002 /nfs/dbraw/zinc/15/80/02/165158002.db2.gz LIYZMTHNFNQRRA-WMLDXEAASA-N 0 3 308.381 3.391 20 30 DGEDHN N#Cc1csc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189601104 165169494 /nfs/dbraw/zinc/16/94/94/165169494.db2.gz YIEZFRRUKZTLHL-DGCLKSJQSA-N 0 3 318.364 3.193 20 30 DGEDHN Cn1cc(CN2CCC(Cc3cccc(F)c3)CC2)cc1C#N ZINC000191259175 165239221 /nfs/dbraw/zinc/23/92/21/165239221.db2.gz LNLCLBWATNYRRQ-UHFFFAOYSA-N 0 3 311.404 3.491 20 30 DGEDHN Cc1csc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191300069 165242273 /nfs/dbraw/zinc/24/22/73/165242273.db2.gz CXNQVMBIDACEFN-AWEZNQCLSA-N 0 3 300.431 3.041 20 30 DGEDHN COc1ccc(OCCN(C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000191913414 165275313 /nfs/dbraw/zinc/27/53/13/165275313.db2.gz XKKCVINYCWMIDT-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1F ZINC000192121974 165283063 /nfs/dbraw/zinc/28/30/63/165283063.db2.gz YCMLQHGKHAXYCD-APWZRJJASA-N 0 3 313.420 3.146 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OC(C)C)CC1 ZINC000171739579 432167222 /nfs/dbraw/zinc/16/72/22/432167222.db2.gz GUSBTRGRCUVZIV-UHFFFAOYSA-N 0 3 317.433 3.246 20 30 DGEDHN COc1ccccc1O[C@@H](C)CNCc1ccc(C#N)cc1F ZINC000269427656 432172575 /nfs/dbraw/zinc/17/25/75/432172575.db2.gz OGFDWFDBAVBHPB-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCO1 ZINC000182388180 432186085 /nfs/dbraw/zinc/18/60/85/432186085.db2.gz ZSCQTPNXMNOSRC-GJZGRUSLSA-N 0 3 323.234 3.368 20 30 DGEDHN CC[C@@H](NCCSCc1ccccc1C#N)c1nccn1C ZINC000182636355 432211932 /nfs/dbraw/zinc/21/19/32/432211932.db2.gz REQGDOWCEDJZLL-MRXNPFEDSA-N 0 3 314.458 3.266 20 30 DGEDHN C=C(C)COc1cc(CN(C)C[C@H]2CCC[C@H]2O)ccc1OC ZINC000247262752 432217191 /nfs/dbraw/zinc/21/71/91/432217191.db2.gz XSCDVDMIXGPEMH-IAGOWNOFSA-N 0 3 319.445 3.243 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCc2ccsc2C1 ZINC000132880916 196292711 /nfs/dbraw/zinc/29/27/11/196292711.db2.gz FECNKPGGGSBQNG-UHFFFAOYSA-N 0 3 311.410 3.007 20 30 DGEDHN CN(C)Cc1ccnc(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000153245535 227084690 /nfs/dbraw/zinc/08/46/90/227084690.db2.gz NZWQJWUJIIIBEV-UHFFFAOYSA-N 0 3 323.444 3.105 20 30 DGEDHN Cc1ccccc1[C@@H](C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000159388235 228241459 /nfs/dbraw/zinc/24/14/59/228241459.db2.gz JVWSFTFHHGOGHC-MRXNPFEDSA-N 0 3 313.445 3.331 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](c2ccccc2)CC1 ZINC000171092098 228270152 /nfs/dbraw/zinc/27/01/52/228270152.db2.gz GKVVILHMOFHVBI-WMZOPIPTSA-N 0 3 313.445 3.017 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000178570544 228343373 /nfs/dbraw/zinc/34/33/73/228343373.db2.gz BXQDLQWLKVIYTJ-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000181622114 228363475 /nfs/dbraw/zinc/36/34/75/228363475.db2.gz RPXAVWTYOMSTEO-YOEHRIQHSA-N 0 3 308.381 3.243 20 30 DGEDHN Cc1ccc([C@@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000182326650 228368093 /nfs/dbraw/zinc/36/80/93/228368093.db2.gz CXSZCLCYMLCLJU-MRXNPFEDSA-N 0 3 313.445 3.331 20 30 DGEDHN COCCCOc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185865751 228399308 /nfs/dbraw/zinc/39/93/08/228399308.db2.gz OIYUCCHLENQSEQ-NVXWUHKLSA-N 0 3 302.418 3.274 20 30 DGEDHN C[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(OCC#N)cc1 ZINC000271784292 228680182 /nfs/dbraw/zinc/68/01/82/228680182.db2.gz GOTYHOBJBHPVGC-ACJLOTCBSA-N 0 3 314.360 3.112 20 30 DGEDHN CCn1cc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000294955230 228854802 /nfs/dbraw/zinc/85/48/02/228854802.db2.gz WFADFLBCYVRXML-OAHLLOKOSA-N 0 3 311.433 3.104 20 30 DGEDHN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC[C@@H](C)C2)c(C)c1 ZINC000330692714 229000905 /nfs/dbraw/zinc/00/09/05/229000905.db2.gz AEJWHKCTSHVVBF-UKRRQHHQSA-N 0 3 317.433 3.086 20 30 DGEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1OC(C)C ZINC000330893944 229008425 /nfs/dbraw/zinc/00/84/25/229008425.db2.gz FCCUUHXSUSLFST-UKRRQHHQSA-N 0 3 320.433 3.270 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000342460023 229112690 /nfs/dbraw/zinc/11/26/90/229112690.db2.gz CZXKWHCQCJOZSY-GFCCVEGCSA-N 0 3 305.259 3.294 20 30 DGEDHN N#CCC[C@H](NC1CCN(CC(F)F)CC1)c1ccccc1 ZINC000342802588 229119425 /nfs/dbraw/zinc/11/94/25/229119425.db2.gz OBGFPNJWZTYENW-INIZCTEOSA-N 0 3 307.388 3.351 20 30 DGEDHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)CCC#N ZINC000337535222 229049903 /nfs/dbraw/zinc/04/99/03/229049903.db2.gz HDMZSUXUCUXGLF-MRXNPFEDSA-N 0 3 315.461 3.468 20 30 DGEDHN COc1cc([C@H](C)NCCOCCC#N)ccc1OC(C)C ZINC000339068826 229073153 /nfs/dbraw/zinc/07/31/53/229073153.db2.gz GWXHBBUFPWFGJG-AWEZNQCLSA-N 0 3 306.406 3.063 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccc1Cl ZINC000340183889 229086373 /nfs/dbraw/zinc/08/63/73/229086373.db2.gz JCUIXPJKLBJUQC-LBPRGKRZSA-N 0 3 315.760 3.246 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000343977224 229132045 /nfs/dbraw/zinc/13/20/45/229132045.db2.gz LGCOFCMXEJGVJM-NSHDSACASA-N 0 3 321.218 3.315 20 30 DGEDHN COc1ccc(CN[C@]2(C)CCO[C@H]2C)cc1OCCCC#N ZINC000344390125 229135992 /nfs/dbraw/zinc/13/59/92/229135992.db2.gz HGXWQCOMKAUIJR-KBXCAEBGSA-N 0 3 318.417 3.035 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000347074538 229181655 /nfs/dbraw/zinc/18/16/55/229181655.db2.gz ROIXDDCKYFPDKM-NSHDSACASA-N 0 3 321.218 3.147 20 30 DGEDHN Cc1cc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000348182240 229199590 /nfs/dbraw/zinc/19/95/90/229199590.db2.gz PTXAERFRMOLUJW-SUMWQHHRSA-N 0 3 321.380 3.328 20 30 DGEDHN N#CC(C(=O)c1cccc(OC2CCCC2)c1)c1ccncn1 ZINC000354474758 229295207 /nfs/dbraw/zinc/29/52/07/229295207.db2.gz ZGKDLEMKTUCUDA-INIZCTEOSA-N 0 3 307.353 3.288 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)NCC(C)(C)CCC#N ZINC000351561781 229235616 /nfs/dbraw/zinc/23/56/16/229235616.db2.gz SVODYTGBWQVQLN-UHFFFAOYSA-N 0 3 316.449 3.242 20 30 DGEDHN N#CCCCCN[C@@H](CCO)c1ccccc1Br ZINC000359541552 229380040 /nfs/dbraw/zinc/38/00/40/229380040.db2.gz RPYAUWKLSUHJOD-AWEZNQCLSA-N 0 3 311.223 3.156 20 30 DGEDHN CN(C)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302207478 230162835 /nfs/dbraw/zinc/16/28/35/230162835.db2.gz KUKSHFHUCIVBPL-QGZVFWFLSA-N 0 3 310.357 3.181 20 30 DGEDHN C[C@H](NCc1ccc(Br)cc1C#N)[C@H]1CCCOC1 ZINC000347255942 264184607 /nfs/dbraw/zinc/18/46/07/264184607.db2.gz VTHPDTBEMAUEJG-AAEUAGOBSA-N 0 3 323.234 3.225 20 30 DGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000348908473 264468026 /nfs/dbraw/zinc/46/80/26/264468026.db2.gz ZXECUXAXASPKHN-UHFFFAOYSA-N 0 3 313.470 3.492 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359761955 270004243 /nfs/dbraw/zinc/00/42/43/270004243.db2.gz DXPUDHQLYKLHTH-IFXJQAMLSA-N 0 3 319.408 3.107 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOCC(F)(F)F ZINC000360664504 270004555 /nfs/dbraw/zinc/00/45/55/270004555.db2.gz QHGIMLDCBWJRCI-OAHLLOKOSA-N 0 3 312.335 3.494 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@H]2CCC[C@H](C)C2)c1C#N ZINC000533774954 270004964 /nfs/dbraw/zinc/00/49/64/270004964.db2.gz GCWLVAQEFJFLMS-ZFWWWQNUSA-N 0 3 300.402 3.355 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@@H]2CCC[C@H](C)C2)c1C#N ZINC000533774944 270004978 /nfs/dbraw/zinc/00/49/78/270004978.db2.gz GCWLVAQEFJFLMS-DZGCQCFKSA-N 0 3 300.402 3.355 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)CC ZINC000151202886 432228871 /nfs/dbraw/zinc/22/88/71/432228871.db2.gz GBGNQPGJJSEMJY-AWEZNQCLSA-N 0 3 308.495 3.383 20 30 DGEDHN CCC1CCC(N(C)CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000353447983 266016840 /nfs/dbraw/zinc/01/68/40/266016840.db2.gz NDNSYTUMZMPSAC-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN CCN(CCCN(C)Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000354812588 266122272 /nfs/dbraw/zinc/12/22/72/266122272.db2.gz AQFMJFMMUWHISQ-UHFFFAOYSA-N 0 3 313.367 3.264 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)CCOc2ccc(C#N)cc2)C1(C)C ZINC000354425234 266302238 /nfs/dbraw/zinc/30/22/38/266302238.db2.gz BCBKQNRXWYEDDD-SJORKVTESA-N 0 3 302.418 3.072 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCCC2 ZINC000361563322 266303519 /nfs/dbraw/zinc/30/35/19/266303519.db2.gz KBTNORJZDIEGDQ-ROUUACIJSA-N 0 3 315.461 3.456 20 30 DGEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000359538806 266363427 /nfs/dbraw/zinc/36/34/27/266363427.db2.gz HYVRQGKXBONJSD-CZUORRHYSA-N 0 3 311.385 3.010 20 30 DGEDHN Cc1nc(NCC2(N3CCSCC3)CCCC2)ccc1C#N ZINC000487929715 425112293 /nfs/dbraw/zinc/11/22/93/425112293.db2.gz LVIJDWVGQOAKQM-UHFFFAOYSA-N 0 3 316.474 3.035 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1C ZINC000512675975 267007476 /nfs/dbraw/zinc/00/74/76/267007476.db2.gz WKTQNGHUZPLPKM-QGZVFWFLSA-N 0 3 313.445 3.251 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 ZINC000362995839 267026552 /nfs/dbraw/zinc/02/65/52/267026552.db2.gz FDYNFSDVPPTUON-MCIONIFRSA-N 0 3 317.458 3.097 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cnccc1C#N ZINC000371470678 267055308 /nfs/dbraw/zinc/05/53/08/267055308.db2.gz NOMYAVUBEBAFSI-CRAIPNDOSA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@H](CNc1c(C#N)nnc2ccccc21)N1CCC[C@@H](C)C1 ZINC000354312428 267163230 /nfs/dbraw/zinc/16/32/30/267163230.db2.gz QXQRGQKLBSEPLD-ZIAGYGMSSA-N 0 3 309.417 3.034 20 30 DGEDHN C[C@H](NCC(=O)N1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360682280 267180399 /nfs/dbraw/zinc/18/03/99/267180399.db2.gz TVWDVMHYHHRMMU-HNNXBMFYSA-N 0 3 319.408 3.108 20 30 DGEDHN C[C@H]1N(Cc2cn3ccccc3c2C#N)CCC12CCOCC2 ZINC000375236496 267243524 /nfs/dbraw/zinc/24/35/24/267243524.db2.gz GIHAMZNGHNZFQP-OAHLLOKOSA-N 0 3 309.413 3.202 20 30 DGEDHN CN(CCC1CCCCC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000507632962 267306240 /nfs/dbraw/zinc/30/62/40/267306240.db2.gz IHLGUSMPCDQXMG-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN Cc1cc(CNCc2ccc(C[S@@](C)=O)cc2)ccc1C#N ZINC000353122149 267326480 /nfs/dbraw/zinc/32/64/80/267326480.db2.gz FJJODNJFWUPGLS-JOCHJYFZSA-N 0 3 312.438 3.035 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC=C(c3ccco3)C2)cc1 ZINC000367156105 268138044 /nfs/dbraw/zinc/13/80/44/268138044.db2.gz JNNSATXCFIKQKO-UHFFFAOYSA-N 0 3 321.380 3.269 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCN1CCc3sccc3C1)CC2 ZINC000353384846 268223509 /nfs/dbraw/zinc/22/35/09/268223509.db2.gz LJKVLPKOPRIUIW-GOSISDBHSA-N 0 3 323.465 3.255 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC(Cc2cccnc2)CC1 ZINC000357028695 268282589 /nfs/dbraw/zinc/28/25/89/268282589.db2.gz BQJJUVLFHRHWSK-UHFFFAOYSA-N 0 3 321.424 3.287 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CCN(CC2CCCC2)CC1 ZINC000522162122 268315640 /nfs/dbraw/zinc/31/56/40/268315640.db2.gz AVWJYXCTWMIDLD-UHFFFAOYSA-N 0 3 320.440 3.419 20 30 DGEDHN CC(C)N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177019769 273531935 /nfs/dbraw/zinc/53/19/35/273531935.db2.gz PFBROTWSIUWPLW-UHFFFAOYSA-N 0 3 310.363 3.083 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cc2cccc(C#N)c2F)C1 ZINC000338186341 274319025 /nfs/dbraw/zinc/31/90/25/274319025.db2.gz AHAAQKHAXHAEKR-QCSYZSNVSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1[C@H]1CC[C@H](C#N)C1 ZINC000339129536 274365671 /nfs/dbraw/zinc/36/56/71/274365671.db2.gz DBEJTSJXZZIIQY-RYRKJORJSA-N 0 3 320.440 3.438 20 30 DGEDHN C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000299719350 274522535 /nfs/dbraw/zinc/52/25/35/274522535.db2.gz RZSROSLUFPYONC-SCLBCKFNSA-N 0 3 305.381 3.162 20 30 DGEDHN Cc1nc(NC[C@H](c2ccco2)N2CCCCC2)ccc1C#N ZINC000487935693 429174785 /nfs/dbraw/zinc/17/47/85/429174785.db2.gz RWWNGBMVXMDGAP-MRXNPFEDSA-N 0 3 310.401 3.494 20 30 DGEDHN Cc1ccc([C@@H](CNc2ccc(C#N)c(C)n2)N2CCCC2)o1 ZINC000488066960 429177279 /nfs/dbraw/zinc/17/72/79/429177279.db2.gz IEHSTONFSGSZAX-MRXNPFEDSA-N 0 3 310.401 3.412 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1C1CCCCC1 ZINC000052131763 276008193 /nfs/dbraw/zinc/00/81/93/276008193.db2.gz GDGSYLPPRBFNOX-SJLPKXTDSA-N 0 3 305.466 3.086 20 30 DGEDHN CCC1(CC)CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000446727258 276216557 /nfs/dbraw/zinc/21/65/57/276216557.db2.gz BROGNCYGFUHWPK-OAHLLOKOSA-N 0 3 305.466 3.230 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000438636873 276343404 /nfs/dbraw/zinc/34/34/04/276343404.db2.gz MHFYFUJGMRNORS-QZTJIDSGSA-N 0 3 301.405 3.457 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](OC)C1)C(C)C ZINC000340301237 276891728 /nfs/dbraw/zinc/89/17/28/276891728.db2.gz KEEUFVJJSJRTED-KZNAEPCWSA-N 0 3 322.493 3.006 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000362372298 276913728 /nfs/dbraw/zinc/91/37/28/276913728.db2.gz WJWSOPRRHNUDOY-AEFFLSMTSA-N 0 3 315.461 3.333 20 30 DGEDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192165867 277314350 /nfs/dbraw/zinc/31/43/50/277314350.db2.gz DQACWQMGRYXMNA-UHFFFAOYSA-N 0 3 312.388 3.470 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000368494279 277811573 /nfs/dbraw/zinc/81/15/73/277811573.db2.gz FHQVNXQSVTZTEV-WCQYABFASA-N 0 3 302.846 3.364 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Cl)cn1C)C(C)C ZINC000344799119 277849776 /nfs/dbraw/zinc/84/97/76/277849776.db2.gz XBCNVBOJBMMHPU-INIZCTEOSA-N 0 3 323.868 3.107 20 30 DGEDHN CC1CCN([C@@H](CNc2cc(C#N)ncn2)c2ccccc2)CC1 ZINC000617941683 430592158 /nfs/dbraw/zinc/59/21/58/430592158.db2.gz LFEYXFVCFOLXNQ-SFHVURJKSA-N 0 3 321.428 3.233 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CCN2CCC(C)(C)C#N)CC1 ZINC000495675305 278384158 /nfs/dbraw/zinc/38/41/58/278384158.db2.gz BJZHANMYUWBJNF-UHFFFAOYSA-N 0 3 321.465 3.402 20 30 DGEDHN C[C@@H]1C[C@H]1N1CCN(c2c(F)cc(C#N)cc2F)C[C@@H](C)C1 ZINC000488719721 279008068 /nfs/dbraw/zinc/00/80/68/279008068.db2.gz ONDHSZSSERDUAO-HWWQOWPSSA-N 0 3 305.372 3.003 20 30 DGEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000068707225 431138537 /nfs/dbraw/zinc/13/85/37/431138537.db2.gz LEMHZWSAKDFNSM-AWEZNQCLSA-N 0 3 321.380 3.366 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000108995298 431165770 /nfs/dbraw/zinc/16/57/70/431165770.db2.gz PKXVJYPUOXUUIN-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000069607197 431203249 /nfs/dbraw/zinc/20/32/49/431203249.db2.gz IMOIIRCATIKHRJ-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN COC(=O)CCN(CCCCC#N)Cc1ccc(F)c(F)c1 ZINC000111255983 431204786 /nfs/dbraw/zinc/20/47/86/431204786.db2.gz SXLPZWIGIYSUMX-UHFFFAOYSA-N 0 3 310.344 3.024 20 30 DGEDHN CN(CCCCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111270878 431205471 /nfs/dbraw/zinc/20/54/71/431205471.db2.gz CAODKCWFADJWPH-HNNXBMFYSA-N 0 3 305.809 3.071 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(C3OCCO3)cc2)cc1 ZINC000074372117 431416481 /nfs/dbraw/zinc/41/64/81/431416481.db2.gz ZCPAUGQIZVROLD-UHFFFAOYSA-N 0 3 323.392 3.034 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1ccc(C)s1 ZINC000114732738 431409412 /nfs/dbraw/zinc/40/94/12/431409412.db2.gz KYZVHXHZMWGRPO-HNNXBMFYSA-N 0 3 304.459 3.394 20 30 DGEDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114749198 431411785 /nfs/dbraw/zinc/41/17/85/431411785.db2.gz DHELDIIEQJDMJM-DNVCBOLYSA-N 0 3 319.408 3.323 20 30 DGEDHN CC(C)[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000115596845 431464235 /nfs/dbraw/zinc/46/42/35/431464235.db2.gz FABBWWRQAVFQDZ-RTBURBONSA-N 0 3 321.424 3.114 20 30 DGEDHN CCOc1ccccc1OCCN(C)Cc1ccc(C#N)cc1 ZINC000075596293 431487439 /nfs/dbraw/zinc/48/74/39/431487439.db2.gz BVXLILCEWWZADB-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN CCN(CC)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000076673643 431562161 /nfs/dbraw/zinc/56/21/61/431562161.db2.gz IUOYRXDOPMWGOL-MRXNPFEDSA-N 0 3 301.434 3.280 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000178565490 280202879 /nfs/dbraw/zinc/20/28/79/280202879.db2.gz UZYLLZLUDOGTML-AWEZNQCLSA-N 0 3 314.433 3.109 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(CC)CC)no2)CC1 ZINC000119277404 431671710 /nfs/dbraw/zinc/67/17/10/431671710.db2.gz OUJQHMPKFLGLFJ-UHFFFAOYSA-N 0 3 319.449 3.349 20 30 DGEDHN CC(C)C(=O)Nc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000078506708 431678045 /nfs/dbraw/zinc/67/80/45/431678045.db2.gz IIEMVABWGZEWSW-UHFFFAOYSA-N 0 3 307.397 3.443 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccncc1C)C(C)C ZINC000120316098 431725374 /nfs/dbraw/zinc/72/53/74/431725374.db2.gz DNBKIGRQJFJFBK-QGZVFWFLSA-N 0 3 316.449 3.210 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2OC)C12CCC2 ZINC000121237718 431759292 /nfs/dbraw/zinc/75/92/92/431759292.db2.gz BSHSBXUPUFNPAU-ZWKOTPCHSA-N 0 3 314.429 3.346 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000121242001 431759403 /nfs/dbraw/zinc/75/94/03/431759403.db2.gz DWTUMNSOQJUTCG-QGZVFWFLSA-N 0 3 309.413 3.191 20 30 DGEDHN CC(C)(C#N)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119937249 431718521 /nfs/dbraw/zinc/71/85/21/431718521.db2.gz GTCPDTBTWXEISU-INIZCTEOSA-N 0 3 302.418 3.313 20 30 DGEDHN CC(C)(C#N)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119937249 431718525 /nfs/dbraw/zinc/71/85/25/431718525.db2.gz GTCPDTBTWXEISU-INIZCTEOSA-N 0 3 302.418 3.313 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000119973001 431722127 /nfs/dbraw/zinc/72/21/27/431722127.db2.gz JVZICDKGRZAAFW-HKUYNNGSSA-N 0 3 312.457 3.349 20 30 DGEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000079324898 431723321 /nfs/dbraw/zinc/72/33/21/431723321.db2.gz KKOJDVRIJDPOCX-CVEARBPZSA-N 0 3 313.445 3.377 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000120266209 431723325 /nfs/dbraw/zinc/72/33/25/431723325.db2.gz GPMLQQXMYJVENZ-SWLSCSKDSA-N 0 3 307.825 3.141 20 30 DGEDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2cc(C#N)cs2)C1 ZINC000084182571 431818045 /nfs/dbraw/zinc/81/80/45/431818045.db2.gz IDTNECBSSONZJJ-STQMWFEESA-N 0 3 319.474 3.106 20 30 DGEDHN N#Cc1cccc(CN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000084133806 431815587 /nfs/dbraw/zinc/81/55/87/431815587.db2.gz SERUCQLRDBJTDK-FQEVSTJZSA-N 0 3 306.409 3.392 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C#N)cs1)C(C)C ZINC000084168352 431817275 /nfs/dbraw/zinc/81/72/75/431817275.db2.gz MJIDHEXTKGZHOX-HNNXBMFYSA-N 0 3 317.458 3.048 20 30 DGEDHN COc1cccc(SCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000031817577 431766923 /nfs/dbraw/zinc/76/69/23/431766923.db2.gz PNOPAOQOSPVXRB-ZDUSSCGKSA-N 0 3 318.423 3.429 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)c2ccc(F)cc2)CC1 ZINC000123488197 431866552 /nfs/dbraw/zinc/86/65/52/431866552.db2.gz QTKRGLVQAJQKKI-GOSISDBHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)COc1cc(CN(C)[C@@H](CO)C(C)(C)C)ccc1OC ZINC000093837565 431917041 /nfs/dbraw/zinc/91/70/41/431917041.db2.gz PHESPSPLCJMQLL-SFHVURJKSA-N 0 3 321.461 3.489 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Cl)c1 ZINC000125278994 431920697 /nfs/dbraw/zinc/92/06/97/431920697.db2.gz UETMQANOLRVQNR-NVXWUHKLSA-N 0 3 319.836 3.189 20 30 DGEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3[O-])CC2)nc1 ZINC000125425453 431924606 /nfs/dbraw/zinc/92/46/06/431924606.db2.gz ZRQDFXJHERQRKU-UHFFFAOYSA-N 0 3 323.396 3.139 20 30 DGEDHN CC(=O)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)n(C)c1 ZINC000048852140 431932839 /nfs/dbraw/zinc/93/28/39/431932839.db2.gz DHPHEPUSZMEVND-OAHLLOKOSA-N 0 3 317.348 3.266 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000126299206 431947109 /nfs/dbraw/zinc/94/71/09/431947109.db2.gz BZSIKJOXGITJPV-INIZCTEOSA-N 0 3 305.466 3.231 20 30 DGEDHN CCN(CCn1c(C)csc1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340719 431969500 /nfs/dbraw/zinc/96/95/00/431969500.db2.gz NDHOXMJBHALROZ-AWEZNQCLSA-N 0 3 315.442 3.173 20 30 DGEDHN C#CCOc1ccccc1CN[C@H](C)C[C@H](O)c1cccs1 ZINC000270658503 432270817 /nfs/dbraw/zinc/27/08/17/432270817.db2.gz NRIUTHNXMKOBID-ZBFHGGJFSA-N 0 3 315.438 3.362 20 30 DGEDHN CCOC(=O)[C@](C)(CNCc1cccc(C#N)c1)c1ccccc1 ZINC000191636160 432286578 /nfs/dbraw/zinc/28/65/78/432286578.db2.gz JSALPORGUQMHAJ-HXUWFJFHSA-N 0 3 322.408 3.169 20 30 DGEDHN C=CCN(CCOC)Cc1ccc(OCc2ccccn2)cc1 ZINC000191760613 432298943 /nfs/dbraw/zinc/29/89/43/432298943.db2.gz DBMNBNFWNUUFJH-UHFFFAOYSA-N 0 3 312.413 3.295 20 30 DGEDHN CCN(C[C@@H](C)C#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102397852 431993979 /nfs/dbraw/zinc/99/39/79/431993979.db2.gz XCJDLXWXSOFXBL-AWEZNQCLSA-N 0 3 309.454 3.115 20 30 DGEDHN C#CCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000271039971 432321017 /nfs/dbraw/zinc/32/10/17/432321017.db2.gz MSIVHEIKXJMDMX-UHFFFAOYSA-N 0 3 319.836 3.293 20 30 DGEDHN COc1cc(C#N)ccc1CN(C[C@H](C)O)C1CCCCC1 ZINC000271069520 432326098 /nfs/dbraw/zinc/32/60/98/432326098.db2.gz VDWVZBRDNPTUQJ-AWEZNQCLSA-N 0 3 302.418 3.082 20 30 DGEDHN CC[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248903292 432328763 /nfs/dbraw/zinc/32/87/63/432328763.db2.gz VMCTWEZPSPCWDT-SJORKVTESA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000174357444 432339605 /nfs/dbraw/zinc/33/96/05/432339605.db2.gz DHXURNCDTGPWMH-HNAYVOBHSA-N 0 3 319.408 3.404 20 30 DGEDHN CC[C@H]1CN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000184005977 432343955 /nfs/dbraw/zinc/34/39/55/432343955.db2.gz QDUQHGREUNSYTG-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(C#N)cc1 ZINC000173858406 432304763 /nfs/dbraw/zinc/30/47/63/432304763.db2.gz GCSKLUHPGGCBBD-OAHLLOKOSA-N 0 3 317.396 3.049 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000271386499 432386458 /nfs/dbraw/zinc/38/64/58/432386458.db2.gz STICYDZQHPJPBB-MJGOQNOKSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN(CCC(=O)OC)Cc1cccc(Br)c1 ZINC000192330292 432360152 /nfs/dbraw/zinc/36/01/52/432360152.db2.gz ASWYQIKQWQSKKN-UHFFFAOYSA-N 0 3 312.207 3.000 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H](O)COCc1ccccc1 ZINC000250217325 432365808 /nfs/dbraw/zinc/36/58/08/432365808.db2.gz VMYUQMNSGYSYDI-OXJNMPFZSA-N 0 3 324.424 3.129 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ncc(C(C)C)s2)CC1 ZINC000192392495 432368364 /nfs/dbraw/zinc/36/83/64/432368364.db2.gz ZEIQPLIHHBWDSM-UHFFFAOYSA-N 0 3 308.451 3.038 20 30 DGEDHN C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(OCC#N)cc1 ZINC000192933646 432430777 /nfs/dbraw/zinc/43/07/77/432430777.db2.gz IJIPERCKFOVXHB-RHSMWYFYSA-N 0 3 313.401 3.135 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc(Br)cc2)C1 ZINC000192976827 432435654 /nfs/dbraw/zinc/43/56/54/432435654.db2.gz ODYIYUCSDCWFLI-GXTWGEPZSA-N 0 3 323.234 3.500 20 30 DGEDHN N#Cc1cc2c(nc1NC[C@H]1NCCc3ccccc31)CCCC2 ZINC000261648656 432437767 /nfs/dbraw/zinc/43/77/67/432437767.db2.gz JJTBTOQTERFDJM-LJQANCHMSA-N 0 3 318.424 3.131 20 30 DGEDHN CC(C)N(CCO[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000193046354 432442008 /nfs/dbraw/zinc/44/20/08/432442008.db2.gz NSJSPMRGOYTOFA-SFHVURJKSA-N 0 3 302.418 3.312 20 30 DGEDHN N#Cc1ccc(CN(CCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000193046301 432442410 /nfs/dbraw/zinc/44/24/10/432442410.db2.gz FXVRMMVQCMGGGT-GOSISDBHSA-N 0 3 300.402 3.066 20 30 DGEDHN COCCOCCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000175609549 432452853 /nfs/dbraw/zinc/45/28/53/432452853.db2.gz GXGBOYJFRFWCNV-UHFFFAOYSA-N 0 3 324.424 3.223 20 30 DGEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c(C#N)c1C ZINC000184642888 432415995 /nfs/dbraw/zinc/41/59/95/432415995.db2.gz PWRLUMGIPMLXKW-NWDGAFQWSA-N 0 3 303.406 3.263 20 30 DGEDHN C[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(OCC#N)cc1 ZINC000271784297 432424362 /nfs/dbraw/zinc/42/43/62/432424362.db2.gz GOTYHOBJBHPVGC-SCLBCKFNSA-N 0 3 314.360 3.112 20 30 DGEDHN Cc1ccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1C ZINC000271776443 432424789 /nfs/dbraw/zinc/42/47/89/432424789.db2.gz OMSWDNXMEFZGGJ-INIZCTEOSA-N 0 3 313.445 3.297 20 30 DGEDHN C[C@H](NCCOc1ccccc1F)c1ccc(OCC#N)cc1 ZINC000271811962 432427232 /nfs/dbraw/zinc/42/72/32/432427232.db2.gz MDBJMECBPNOUIO-AWEZNQCLSA-N 0 3 314.360 3.458 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185324720 432490172 /nfs/dbraw/zinc/49/01/72/432490172.db2.gz TXLDFYWERISJBZ-IBGZPJMESA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000185341712 432492621 /nfs/dbraw/zinc/49/26/21/432492621.db2.gz ZETCLUFVIJKINC-SFHVURJKSA-N 0 3 312.457 3.298 20 30 DGEDHN COC(=O)c1cc(CN(Cc2ccc(C#N)cc2)C(C)C)c[nH]1 ZINC000154380478 432494150 /nfs/dbraw/zinc/49/41/50/432494150.db2.gz ZNKLQSGSTNLTMA-UHFFFAOYSA-N 0 3 311.385 3.084 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000175742549 432460770 /nfs/dbraw/zinc/46/07/70/432460770.db2.gz PWKLPXSZRCFLOO-GDBMZVCRSA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)s1 ZINC000185120977 432467777 /nfs/dbraw/zinc/46/77/77/432467777.db2.gz RWFVXLFLWNKIOA-KSSFIOAISA-N 0 3 311.454 3.230 20 30 DGEDHN CC1(C#N)CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000272585498 432528192 /nfs/dbraw/zinc/52/81/92/432528192.db2.gz OSDVQOYVMMJKKO-KRWDZBQOSA-N 0 3 324.424 3.205 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000185782782 432532161 /nfs/dbraw/zinc/53/21/61/432532161.db2.gz ONLNTUDDLMSFOP-CGTJXYLNSA-N 0 3 311.429 3.022 20 30 DGEDHN N#Cc1cccc(C2(NC[C@H](O)CCc3ccccc3)CC2)c1 ZINC000273200816 432564664 /nfs/dbraw/zinc/56/46/64/432564664.db2.gz FCBKUSVUYINMNX-LJQANCHMSA-N 0 3 306.409 3.131 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCCC)C2CCC2)CC1 ZINC000176586267 432535667 /nfs/dbraw/zinc/53/56/67/432535667.db2.gz VFTZZRUQEKSIHF-KRWDZBQOSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000273041194 432542560 /nfs/dbraw/zinc/54/25/60/432542560.db2.gz AOWLTXTXCNALSG-MOPGFXCFSA-N 0 3 317.429 3.307 20 30 DGEDHN C=CCc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc(OC)c1O ZINC000273068721 432546201 /nfs/dbraw/zinc/54/62/01/432546201.db2.gz GPQVBUYGGLSCAL-MOPGFXCFSA-N 0 3 317.429 3.177 20 30 DGEDHN N#CC(C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cn1 ZINC000155707767 432570217 /nfs/dbraw/zinc/57/02/17/432570217.db2.gz YHXIOMIVGOHISP-GFCCVEGCSA-N 0 3 311.307 3.156 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2CCCN2Cc2ccccc2)s1 ZINC000176970261 432570785 /nfs/dbraw/zinc/57/07/85/432570785.db2.gz JSZYFESJONIDQK-INIZCTEOSA-N 0 3 311.454 3.374 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000186328258 432582617 /nfs/dbraw/zinc/58/26/17/432582617.db2.gz WPEDXISPRRPDPM-GOSISDBHSA-N 0 3 315.461 3.115 20 30 DGEDHN COc1ccc(C(=O)C2CCN(CCCCC#N)CC2)cc1 ZINC000263835505 432582894 /nfs/dbraw/zinc/58/28/94/432582894.db2.gz WQHOXUDSIMZIJQ-UHFFFAOYSA-N 0 3 300.402 3.284 20 30 DGEDHN C[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177149375 432590352 /nfs/dbraw/zinc/59/03/52/432590352.db2.gz WTGKIQDPLIGAEO-CJNGLKHVSA-N 0 3 311.347 3.292 20 30 DGEDHN C#CCOc1ccccc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186441311 432595521 /nfs/dbraw/zinc/59/55/21/432595521.db2.gz IWYQNMCSTRBROX-NRFANRHFSA-N 0 3 319.404 3.330 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)C1CCN(C2CC2)CC1 ZINC000195373042 432620792 /nfs/dbraw/zinc/62/07/92/432620792.db2.gz ATEZZCOSAQNDAW-UHFFFAOYSA-N 0 3 316.420 3.215 20 30 DGEDHN CCN(CC1CC1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000157924623 432633314 /nfs/dbraw/zinc/63/33/14/432633314.db2.gz TWGPBXMEMFMZSR-SWKXRBFHSA-N 0 3 305.466 3.038 20 30 DGEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccccc1C(C)(C)C#N ZINC000274068636 432633683 /nfs/dbraw/zinc/63/36/83/432633683.db2.gz RAKRHIIXSBHQDU-KBPBESRZSA-N 0 3 302.418 3.165 20 30 DGEDHN CCN(CC1CC1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000157956089 432634525 /nfs/dbraw/zinc/63/45/25/432634525.db2.gz HQPWWAIQIGMQPQ-AWEZNQCLSA-N 0 3 317.408 3.193 20 30 DGEDHN CC(C)CC[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000158143567 432637800 /nfs/dbraw/zinc/63/78/00/432637800.db2.gz ZMDVNVOEOGTLLY-AEFFLSMTSA-N 0 3 305.466 3.086 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000264384878 432641485 /nfs/dbraw/zinc/64/14/85/432641485.db2.gz JFRMTNYFDUNBRM-CYBMUJFWSA-N 0 3 321.852 3.351 20 30 DGEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000177857015 432668546 /nfs/dbraw/zinc/66/85/46/432668546.db2.gz DNRHUKOVEOTBLQ-HNAYVOBHSA-N 0 3 323.415 3.450 20 30 DGEDHN Oc1cccc(/C=N/C[C@H]2CCCN2Cc2ccccc2)c1O ZINC000265143353 432669158 /nfs/dbraw/zinc/66/91/58/432669158.db2.gz OHNBCCXFRFYEDQ-XNHPLOEXSA-N 0 3 310.397 3.181 20 30 DGEDHN COc1cc(CNCc2cc(C#N)cs2)c2ccccc2n1 ZINC000177706894 432652024 /nfs/dbraw/zinc/65/20/24/432652024.db2.gz LXDXFRWFFHTDKH-UHFFFAOYSA-N 0 3 309.394 3.466 20 30 DGEDHN C[C@@H](NC(=O)c1cccc(CC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000187255845 432654238 /nfs/dbraw/zinc/65/42/38/432654238.db2.gz XBKBEDOIWPVMST-DNVCBOLYSA-N 0 3 321.424 3.174 20 30 DGEDHN C=CCN1CCC(NC(=O)CCSc2ccc(F)cc2)CC1 ZINC000264522858 432656125 /nfs/dbraw/zinc/65/61/25/432656125.db2.gz XLFBRLQLWKEEEI-UHFFFAOYSA-N 0 3 322.449 3.075 20 30 DGEDHN C=C(Cl)CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000265469403 432703359 /nfs/dbraw/zinc/70/33/59/432703359.db2.gz JUIDQKIQAXXMEP-UHFFFAOYSA-N 0 3 309.841 3.032 20 30 DGEDHN C#CCCOc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000188259505 432714685 /nfs/dbraw/zinc/71/46/85/432714685.db2.gz FNSGSXDJBOWLOQ-HXUWFJFHSA-N 0 3 313.441 3.480 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000178325918 432720230 /nfs/dbraw/zinc/72/02/30/432720230.db2.gz VPWHIRCDISBQOT-MRXNPFEDSA-N 0 3 306.413 3.145 20 30 DGEDHN CC(C)[C@@H](CNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000224162386 432681838 /nfs/dbraw/zinc/68/18/38/432681838.db2.gz NWYSDFYLSRGFQR-CQSZACIVSA-N 0 3 323.462 3.259 20 30 DGEDHN C[C@H]1CCN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000266192795 432754651 /nfs/dbraw/zinc/75/46/51/432754651.db2.gz GRPCVZQHBJVXJV-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068120 432762534 /nfs/dbraw/zinc/76/25/34/432762534.db2.gz IOLVVGYLDQLCGH-YJBOKZPZSA-N 0 3 300.446 3.335 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@H]2CCC[C@H](C)C2)c(C#N)c1C ZINC000178712131 432769932 /nfs/dbraw/zinc/76/99/32/432769932.db2.gz HSSZYLMSRIXHAC-FZMZJTMJSA-N 0 3 303.406 3.217 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cnc2Cl)CC1 ZINC000276125546 432774169 /nfs/dbraw/zinc/77/41/69/432774169.db2.gz CAGXWOGSUGZQRM-UHFFFAOYSA-N 0 3 322.840 3.205 20 30 DGEDHN N#Cc1ccc(CNCCOc2ncc(Cl)cc2Cl)cc1 ZINC000134475306 292670087 /nfs/dbraw/zinc/67/00/87/292670087.db2.gz ODLHJVDWXBHQIV-UHFFFAOYSA-N 0 3 322.195 3.429 20 30 DGEDHN CN(CCOc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160590454 432730807 /nfs/dbraw/zinc/73/08/07/432730807.db2.gz IXGTYHHQOGMTMV-UHFFFAOYSA-N 0 3 302.324 3.347 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OCC#N)cc2)C1(C)C ZINC000265857653 432738991 /nfs/dbraw/zinc/73/89/91/432738991.db2.gz JLEGRBBNIBGISF-IAGOWNOFSA-N 0 3 302.418 3.224 20 30 DGEDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000178885590 432785729 /nfs/dbraw/zinc/78/57/29/432785729.db2.gz GNILNTPDXPHNLQ-ZDUSSCGKSA-N 0 3 324.380 3.204 20 30 DGEDHN C#CCN(CC)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000266943328 432800577 /nfs/dbraw/zinc/80/05/77/432800577.db2.gz RNMCUACHDDAOEN-UHFFFAOYSA-N 0 3 301.365 3.072 20 30 DGEDHN C[C@H](c1ccccn1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000267079360 432811309 /nfs/dbraw/zinc/81/13/09/432811309.db2.gz QNENAMJYDRJFQS-QGZVFWFLSA-N 0 3 320.440 3.222 20 30 DGEDHN C=CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000287972171 432881723 /nfs/dbraw/zinc/88/17/23/432881723.db2.gz JPIIUWIDGBEPOC-RHSMWYFYSA-N 0 3 301.434 3.038 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288518550 432893715 /nfs/dbraw/zinc/89/37/15/432893715.db2.gz TVJDKVHUKXSTDA-HXUWFJFHSA-N 0 3 312.457 3.467 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000245548663 432843223 /nfs/dbraw/zinc/84/32/23/432843223.db2.gz YCRZFCIMVUWWEU-GOEBONIOSA-N 0 3 310.401 3.080 20 30 DGEDHN C=CCN1CCC(Nc2ncc(Br)cc2C)CC1 ZINC000268228514 432856857 /nfs/dbraw/zinc/85/68/57/432856857.db2.gz UUINETTVFXRBQT-UHFFFAOYSA-N 0 3 310.239 3.215 20 30 DGEDHN C=CCC[C@@H](NC1CCN(C(=O)OCC)CC1)c1ccco1 ZINC000279110625 432935247 /nfs/dbraw/zinc/93/52/47/432935247.db2.gz WCZIALYFXAZXOP-OAHLLOKOSA-N 0 3 306.406 3.497 20 30 DGEDHN C=CC[C@H]1N(CC(=O)N[C@@](C)(C#N)C(C)C)CCCC1(C)C ZINC000331291326 432937634 /nfs/dbraw/zinc/93/76/34/432937634.db2.gz KOQOBJHBJHSMMQ-QAPCUYQASA-N 0 3 305.466 3.108 20 30 DGEDHN COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1OC(F)F ZINC000278604615 432897790 /nfs/dbraw/zinc/89/77/90/432897790.db2.gz MCNZBYQAUKMJJO-WCQYABFASA-N 0 3 310.344 3.421 20 30 DGEDHN N#Cc1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288788521 432897933 /nfs/dbraw/zinc/89/79/33/432897933.db2.gz KWPHEBZJGMNTRR-FQEVSTJZSA-N 0 3 324.399 3.124 20 30 DGEDHN Cc1noc(C)c1C(C)(C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330358672 432905403 /nfs/dbraw/zinc/90/54/03/432905403.db2.gz VDWXQBSYOCWPRE-LLVKDONJSA-N 0 3 305.422 3.176 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000278869012 432910303 /nfs/dbraw/zinc/91/03/03/432910303.db2.gz WVGNWPZVXZAXQQ-KCPJHIHWSA-N 0 3 323.234 3.154 20 30 DGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)c1 ZINC000289718989 432972747 /nfs/dbraw/zinc/97/27/47/432972747.db2.gz CUEXTUOJLZDPGN-QGZVFWFLSA-N 0 3 308.429 3.440 20 30 DGEDHN N#CCCn1cc(CN2CCCC3(CC3)C2)c(-c2ccncc2)n1 ZINC000279473228 432973443 /nfs/dbraw/zinc/97/34/43/432973443.db2.gz VVONTMBLDRZZAC-UHFFFAOYSA-N 0 3 321.428 3.235 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CCCCC2)cc1 ZINC000279592864 432988125 /nfs/dbraw/zinc/98/81/25/432988125.db2.gz DPARJEMATCNULQ-GOSISDBHSA-N 0 3 309.413 3.327 20 30 DGEDHN Cc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279737679 432991373 /nfs/dbraw/zinc/99/13/73/432991373.db2.gz OLILIWJQEZIHOK-KXBFYZLASA-N 0 3 317.392 3.426 20 30 DGEDHN CCN(Cc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279753463 432991645 /nfs/dbraw/zinc/99/16/45/432991645.db2.gz QPLXHRWZKQYJQW-INIZCTEOSA-N 0 3 323.421 3.351 20 30 DGEDHN C=C(C)CNCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000290097452 432991847 /nfs/dbraw/zinc/99/18/47/432991847.db2.gz JZNRXJITTHXFKO-UHFFFAOYSA-N 0 3 301.333 3.013 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000297562674 432998797 /nfs/dbraw/zinc/99/87/97/432998797.db2.gz RPRYCUKCDWVGFF-UHFFFAOYSA-N 0 3 315.461 3.359 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000297617338 433000740 /nfs/dbraw/zinc/00/07/40/433000740.db2.gz XICRZOFZXPTERL-MRXNPFEDSA-N 0 3 321.490 3.229 20 30 DGEDHN N#CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289404120 432955549 /nfs/dbraw/zinc/95/55/49/432955549.db2.gz AISCTYDCOSBVTR-MSOLQXFVSA-N 0 3 312.413 3.122 20 30 DGEDHN N#Cc1ccc(OCCN2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289441589 432959089 /nfs/dbraw/zinc/95/90/89/432959089.db2.gz WOLPFAGVGQTYHE-SFHVURJKSA-N 0 3 307.397 3.212 20 30 DGEDHN C[C@@H]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279363363 432959626 /nfs/dbraw/zinc/95/96/26/432959626.db2.gz RHJPQBRUVIUUOB-FHLIZLRMSA-N 0 3 309.413 3.183 20 30 DGEDHN C#C[C@H](NCc1ccc(OC(=O)C2CC2)c(OC)c1)C(C)(C)C ZINC000290216996 433014721 /nfs/dbraw/zinc/01/47/21/433014721.db2.gz RCRLYTVOEZTCIO-KRWDZBQOSA-N 0 3 315.413 3.148 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000280220886 433018030 /nfs/dbraw/zinc/01/80/30/433018030.db2.gz IXSYWYDQLDKEOR-QWHCGFSZSA-N 0 3 315.866 3.022 20 30 DGEDHN C=CCc1cc(CN2CCCC[C@@H]2C[C@H](C)O)cc(OC)c1O ZINC000280435995 433051589 /nfs/dbraw/zinc/05/15/89/433051589.db2.gz JXTXFLMWPFAXSL-WMLDXEAASA-N 0 3 319.445 3.255 20 30 DGEDHN CN(C[C@H](O)c1cccc(Br)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000298096491 433047381 /nfs/dbraw/zinc/04/73/81/433047381.db2.gz INVBUEAVBUWQPX-UGFHNGPFSA-N 0 3 323.234 3.107 20 30 DGEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280478114 433056937 /nfs/dbraw/zinc/05/69/37/433056937.db2.gz IXRGDTVPFUPXQO-KRWDZBQOSA-N 0 3 313.445 3.092 20 30 DGEDHN CC1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280494014 433063781 /nfs/dbraw/zinc/06/37/81/433063781.db2.gz QIYCVLVRQCCNEB-KRWDZBQOSA-N 0 3 309.413 3.279 20 30 DGEDHN CN(C)[C@@H](CN[C@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F ZINC000185835010 289288798 /nfs/dbraw/zinc/28/87/98/289288798.db2.gz ZPGBQIKQBSMXBZ-XEZPLFJOSA-N 0 3 307.388 3.239 20 30 DGEDHN CN1CCC(N(Cc2ccco2)Cc2cccc(C#N)c2)CC1 ZINC000290486711 433066979 /nfs/dbraw/zinc/06/69/79/433066979.db2.gz OHYQOYFDWYPZFD-UHFFFAOYSA-N 0 3 309.413 3.248 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443650694 289342028 /nfs/dbraw/zinc/34/20/28/289342028.db2.gz JAASEMZKQJEHRJ-BZUAXINKSA-N 0 3 305.466 3.086 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425016801 433077622 /nfs/dbraw/zinc/07/76/22/433077622.db2.gz XRJGKWSOJCAQHM-NLWGTHIKSA-N 0 3 312.457 3.322 20 30 DGEDHN C=C(C)CCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000453330378 433096903 /nfs/dbraw/zinc/09/69/03/433096903.db2.gz YNKFZQYWADNYJP-IAGOWNOFSA-N 0 3 308.853 3.268 20 30 DGEDHN N#Cc1cccc(CCNCc2c[nH]c(-c3ccccc3)n2)c1 ZINC000341506529 433097193 /nfs/dbraw/zinc/09/71/93/433097193.db2.gz XWTIXFAETXHYAS-UHFFFAOYSA-N 0 3 302.381 3.281 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000280647161 433123636 /nfs/dbraw/zinc/12/36/36/433123636.db2.gz NTZJTBBVNGINSJ-NHYWBVRUSA-N 0 3 310.781 3.319 20 30 DGEDHN C[C@@H](CCC#N)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298392138 433117970 /nfs/dbraw/zinc/11/79/70/433117970.db2.gz OHHDUYSDXXFIFP-FZMZJTMJSA-N 0 3 311.223 3.107 20 30 DGEDHN N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000425200736 433119735 /nfs/dbraw/zinc/11/97/35/433119735.db2.gz LPYNDEARWGGOGS-MRXNPFEDSA-N 0 3 322.368 3.153 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(N2CCOCC2)c1 ZINC000361431991 433168763 /nfs/dbraw/zinc/16/87/63/433168763.db2.gz HZJZSLSUTWIVBO-SJLPKXTDSA-N 0 3 313.445 3.004 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](CC)C1)C(C)C ZINC000447290049 433175706 /nfs/dbraw/zinc/17/57/06/433175706.db2.gz IRUSNBABCSTHLD-IAGOWNOFSA-N 0 3 307.482 3.127 20 30 DGEDHN CN(CC1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280817418 433187707 /nfs/dbraw/zinc/18/77/07/433187707.db2.gz MZVQVOQNJBMOBE-GOSISDBHSA-N 0 3 309.413 3.279 20 30 DGEDHN CCc1c(C)sc(NC(=O)C2CCN(C3CC3)CC2)c1C#N ZINC000447344159 433190373 /nfs/dbraw/zinc/19/03/73/433190373.db2.gz UVBNDOSQNIREPX-UHFFFAOYSA-N 0 3 317.458 3.304 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(SCC)cc2)C1=O ZINC000337196600 433216282 /nfs/dbraw/zinc/21/62/82/433216282.db2.gz XNRUATGKYJFAPR-CZUORRHYSA-N 0 3 304.459 3.236 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1C ZINC000361511546 433216156 /nfs/dbraw/zinc/21/61/56/433216156.db2.gz SRAURQZTKDNHLG-CQSZACIVSA-N 0 3 304.353 3.075 20 30 DGEDHN CC1CCN([C@H](CNC(=O)CCCC#N)c2cccs2)CC1 ZINC000290980025 433217107 /nfs/dbraw/zinc/21/71/07/433217107.db2.gz PYYLUORRIBRUHG-OAHLLOKOSA-N 0 3 319.474 3.331 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)COC2)c1cnc2ccccc2n1 ZINC000361541615 433236953 /nfs/dbraw/zinc/23/69/53/433236953.db2.gz RAVIQBADIOMHGL-HNNXBMFYSA-N 0 3 315.332 3.150 20 30 DGEDHN N#CCCOCCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425499574 433269138 /nfs/dbraw/zinc/26/91/38/433269138.db2.gz BDRYOOICHCTSIU-UHFFFAOYSA-N 0 3 319.474 3.132 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)N(C)C ZINC000298827019 433257195 /nfs/dbraw/zinc/25/71/95/433257195.db2.gz HCYIYANMUAFKPK-RYUDHWBXSA-N 0 3 314.216 3.014 20 30 DGEDHN C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000337855654 433265174 /nfs/dbraw/zinc/26/51/74/433265174.db2.gz LCYMLULQLPNPKO-HZPDHXFCSA-N 0 3 317.481 3.042 20 30 DGEDHN C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000338807277 433322818 /nfs/dbraw/zinc/32/28/18/433322818.db2.gz DUTLBGBQPYWMTD-INIZCTEOSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCOc1ccc(CN2CCCO[C@@H](CC)C2)cc1OC ZINC000281317834 433281835 /nfs/dbraw/zinc/28/18/35/433281835.db2.gz QYONELLGNBRYLV-INIZCTEOSA-N 0 3 305.418 3.261 20 30 DGEDHN CC1CCN([C@H](CNC(=O)C(C)(C)C#N)c2ccccc2)CC1 ZINC000298935093 433282926 /nfs/dbraw/zinc/28/29/26/433282926.db2.gz HSLCBQJDRGEUGF-QGZVFWFLSA-N 0 3 313.445 3.126 20 30 DGEDHN CC[C@@H]1CCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447849888 433298662 /nfs/dbraw/zinc/29/86/62/433298662.db2.gz KCIRHDIFXKNITJ-AEFFLSMTSA-N 0 3 311.429 3.318 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413899965 433310336 /nfs/dbraw/zinc/31/03/36/433310336.db2.gz JPZXOIDHYVOTSG-ZDUSSCGKSA-N 0 3 308.397 3.307 20 30 DGEDHN C=CCN(CCOC)Cc1ccc(OCc2cccnc2)cc1 ZINC000361641174 433312563 /nfs/dbraw/zinc/31/25/63/433312563.db2.gz XSQSKVQKBKYYST-UHFFFAOYSA-N 0 3 312.413 3.295 20 30 DGEDHN C[C@H](NC(=O)C1(C#N)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000186917513 289806714 /nfs/dbraw/zinc/80/67/14/289806714.db2.gz VHKRAABYVRNCDN-RDJZCZTQSA-N 0 3 313.445 3.268 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000299426831 433369870 /nfs/dbraw/zinc/36/98/70/433369870.db2.gz TVWWKHYZFKXVHI-WBVHZDCISA-N 0 3 313.445 3.458 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)(F)F ZINC000413970671 433331557 /nfs/dbraw/zinc/33/15/57/433331557.db2.gz AIJLVWNZCKHVNM-JSGCOSHPSA-N 0 3 312.335 3.464 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000413979537 433332485 /nfs/dbraw/zinc/33/24/85/433332485.db2.gz BLMJJZAGFVQWOE-XYJFISCASA-N 0 3 300.446 3.163 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425672228 433340637 /nfs/dbraw/zinc/34/06/37/433340637.db2.gz JWPSJTAIQORQSI-FUHWJXTLSA-N 0 3 313.445 3.363 20 30 DGEDHN COCCN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC=CCC1 ZINC000361686098 433342405 /nfs/dbraw/zinc/34/24/05/433342405.db2.gz HZIWKYALBSJUBY-MRXNPFEDSA-N 0 3 324.428 3.011 20 30 DGEDHN C[C@@H](CNc1ccc(C#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000301128289 433425779 /nfs/dbraw/zinc/42/57/79/433425779.db2.gz YBMAICBDOBYVIE-KRWDZBQOSA-N 0 3 320.440 3.181 20 30 DGEDHN CCCCN1CCCC[C@H]1CNc1nnc(C)c(C)c1C#N ZINC000301139525 433429836 /nfs/dbraw/zinc/42/98/36/433429836.db2.gz GRFSOTFJFYSDDE-HNNXBMFYSA-N 0 3 301.438 3.032 20 30 DGEDHN Cc1nc(N(C)C2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000291912276 433389477 /nfs/dbraw/zinc/38/94/77/433389477.db2.gz LAEZARKXBBUUBT-UHFFFAOYSA-N 0 3 320.440 3.363 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000342061530 433440429 /nfs/dbraw/zinc/44/04/29/433440429.db2.gz UILMQAQKTNLNMO-HOTGVXAUSA-N 0 3 313.445 3.168 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3c[nH]c4ccccc43)CC2)C1=O ZINC000281994621 433462163 /nfs/dbraw/zinc/46/21/63/433462163.db2.gz NCMLRBHTAATIGG-IBGZPJMESA-N 0 3 323.440 3.134 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000342080665 433456441 /nfs/dbraw/zinc/45/64/41/433456441.db2.gz GVGCWMITIYJWQX-NVXWUHKLSA-N 0 3 303.450 3.333 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N1CCc2ccccc2C1 ZINC000421322324 433476457 /nfs/dbraw/zinc/47/64/57/433476457.db2.gz FSSOWJJDGJZSNL-OAHLLOKOSA-N 0 3 323.415 3.234 20 30 DGEDHN N#Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000421334879 433481528 /nfs/dbraw/zinc/48/15/28/433481528.db2.gz QYUJEPYWPSWHMC-QGZVFWFLSA-N 0 3 313.376 3.217 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000375644984 433517670 /nfs/dbraw/zinc/51/76/70/433517670.db2.gz YLLQYBVKWYTLQF-SFHVURJKSA-N 0 3 305.466 3.041 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCCN(Cc2ccccc2)CC1 ZINC000301362435 433522891 /nfs/dbraw/zinc/52/28/91/433522891.db2.gz OOLUANDMQQSIBW-UHFFFAOYSA-N 0 3 309.388 3.410 20 30 DGEDHN N#Cc1ccc(CNCC[C@@H]2COc3ccccc3O2)cc1F ZINC000421342149 433488270 /nfs/dbraw/zinc/48/82/70/433488270.db2.gz MVEUXWVHFVTCQF-OAHLLOKOSA-N 0 3 312.344 3.017 20 30 DGEDHN COc1ccc(COCCNCc2ccc(C#N)c(F)c2)cc1 ZINC000421344399 433489635 /nfs/dbraw/zinc/48/96/35/433489635.db2.gz SXOOUNXZCMGRDB-UHFFFAOYSA-N 0 3 314.360 3.012 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1F ZINC000421357488 433500786 /nfs/dbraw/zinc/50/07/86/433500786.db2.gz OLKALYYCAMUVDC-OAHLLOKOSA-N 0 3 313.351 3.205 20 30 DGEDHN CN(CCNCc1ccc(C#N)c(F)c1)Cc1ccc(F)cc1 ZINC000421363479 433506758 /nfs/dbraw/zinc/50/67/58/433506758.db2.gz LOYMKKIQESCBLM-UHFFFAOYSA-N 0 3 315.367 3.058 20 30 DGEDHN CCCCN(C)CCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455705958 433551120 /nfs/dbraw/zinc/55/11/20/433551120.db2.gz PIBIYMWZBDSZHA-UHFFFAOYSA-N 0 3 322.840 3.259 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000356246044 433567316 /nfs/dbraw/zinc/56/73/16/433567316.db2.gz UVEOZUGRWJLXPH-PXNSSMCTSA-N 0 3 312.457 3.291 20 30 DGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCC[C@@H]1O ZINC000356407519 433572770 /nfs/dbraw/zinc/57/27/70/433572770.db2.gz HJUVWQAKLRWBKX-GJZGRUSLSA-N 0 3 312.335 3.312 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000292730968 433590640 /nfs/dbraw/zinc/59/06/40/433590640.db2.gz GNQZWHOCWAEPDQ-HIFRSBDPSA-N 0 3 315.373 3.130 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292304602 433543100 /nfs/dbraw/zinc/54/31/00/433543100.db2.gz SECQKVOKLPJZME-QUCCMNQESA-N 0 3 312.457 3.291 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cc4ccccc4o3)C2)nc1 ZINC000292300401 433544546 /nfs/dbraw/zinc/54/45/46/433544546.db2.gz UTLDQCQFBPEYDQ-INIZCTEOSA-N 0 3 319.364 3.353 20 30 DGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000355491620 433547609 /nfs/dbraw/zinc/54/76/09/433547609.db2.gz NNWMXMNQGVIIFD-HNNXBMFYSA-N 0 3 319.836 3.062 20 30 DGEDHN CC(C)(C)OC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000162436107 292853128 /nfs/dbraw/zinc/85/31/28/292853128.db2.gz LBSGKNVSLVCCKT-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN Cc1nnc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C#N)c1C ZINC000301620422 433643143 /nfs/dbraw/zinc/64/31/43/433643143.db2.gz MMDAMCPLZGWHSR-GUYCJALGSA-N 0 3 321.428 3.040 20 30 DGEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@H]1CCCC1(C)C ZINC000426828887 433614888 /nfs/dbraw/zinc/61/48/88/433614888.db2.gz XDMDYBRZDHSONR-KRWDZBQOSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000426827062 433615034 /nfs/dbraw/zinc/61/50/34/433615034.db2.gz GYMZTPVTXCRSHU-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CCCN(CC)CC1 ZINC000362387404 433682382 /nfs/dbraw/zinc/68/23/82/433682382.db2.gz SQALOEKNLGZSTC-UHFFFAOYSA-N 0 3 304.459 3.133 20 30 DGEDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000356802389 433703832 /nfs/dbraw/zinc/70/38/32/433703832.db2.gz IBNLCHBTBBGHNP-KRWDZBQOSA-N 0 3 313.445 3.090 20 30 DGEDHN CC[C@@H](NC(=O)C(C)C#N)c1cc(F)cc(Br)c1 ZINC000362508143 433730902 /nfs/dbraw/zinc/73/09/02/433730902.db2.gz XTDWAISWBPIIAN-QPUJVOFHSA-N 0 3 313.170 3.315 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000449548158 433750671 /nfs/dbraw/zinc/75/06/71/433750671.db2.gz LLQZYFXKVQQEOD-CABCVRRESA-N 0 3 323.820 3.325 20 30 DGEDHN Cc1nsc(NC[C@H](c2ccc(F)cc2)N(C)C)c1C#N ZINC000283676334 433762651 /nfs/dbraw/zinc/76/26/51/433762651.db2.gz XFOSMXOGCKDFBD-CQSZACIVSA-N 0 3 304.394 3.177 20 30 DGEDHN CCC1(CC)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000362600839 433781694 /nfs/dbraw/zinc/78/16/94/433781694.db2.gz HFDLHDIAWZNRNN-WBVHZDCISA-N 0 3 307.482 3.332 20 30 DGEDHN C[C@H](Cc1cccc(O)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456705333 433781964 /nfs/dbraw/zinc/78/19/64/433781964.db2.gz SZFGSJVCKFQYOA-QAPCUYQASA-N 0 3 322.408 3.212 20 30 DGEDHN CC[C@H]1CCCCN1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302214108 433817570 /nfs/dbraw/zinc/81/75/70/433817570.db2.gz NXPPONCSQKEZDG-AWEZNQCLSA-N 0 3 302.378 3.143 20 30 DGEDHN C[C@@H](C1CCC1)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357035963 433834634 /nfs/dbraw/zinc/83/46/34/433834634.db2.gz JJKDIVCGXZWTAT-NSHDSACASA-N 0 3 305.809 3.271 20 30 DGEDHN CN(C[C@H]1CC=CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000344077725 433847576 /nfs/dbraw/zinc/84/75/76/433847576.db2.gz WXJTXJJROITBCD-HKUYNNGSSA-N 0 3 323.440 3.342 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434892434 433866068 /nfs/dbraw/zinc/86/60/68/433866068.db2.gz RLPNXNAOBHSBEL-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN Cc1ccc([C@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000302909880 433901984 /nfs/dbraw/zinc/90/19/84/433901984.db2.gz YUCRVALGEJMGSK-SFHVURJKSA-N 0 3 304.397 3.453 20 30 DGEDHN N#Cc1ccc(OCCNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000436240770 433911937 /nfs/dbraw/zinc/91/19/37/433911937.db2.gz QWNNCFYKNADCAH-UHFFFAOYSA-N 0 3 309.344 3.347 20 30 DGEDHN CC(C)(C)CCN1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000303211966 433925194 /nfs/dbraw/zinc/92/51/94/433925194.db2.gz RREPHQFDUINAMQ-UHFFFAOYSA-N 0 3 303.425 3.251 20 30 DGEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000457082167 433976652 /nfs/dbraw/zinc/97/66/52/433976652.db2.gz DRZRVJOCJPYQIJ-KRWDZBQOSA-N 0 3 313.445 3.042 20 30 DGEDHN Cc1cccc2c1OC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000377745910 433977492 /nfs/dbraw/zinc/97/74/92/433977492.db2.gz OEJZDHYAXGVZAE-QAPCUYQASA-N 0 3 322.408 3.379 20 30 DGEDHN CCC[C@]1(CO)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000377842025 434014802 /nfs/dbraw/zinc/01/48/02/434014802.db2.gz GJZFDYRBICDJLW-IBGZPJMESA-N 0 3 316.445 3.354 20 30 DGEDHN CC[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(CC)CC ZINC000416095373 434018091 /nfs/dbraw/zinc/01/80/91/434018091.db2.gz GWZMALDUJQNICP-MSOLQXFVSA-N 0 3 313.445 3.172 20 30 DGEDHN CCN1CCC[C@H]1CNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000450217465 434037049 /nfs/dbraw/zinc/03/70/49/434037049.db2.gz QGPIKUOLQDPAFS-ZDUSSCGKSA-N 0 3 316.355 3.281 20 30 DGEDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)c(F)c1 ZINC000352570487 434044894 /nfs/dbraw/zinc/04/48/94/434044894.db2.gz IBIPWKHNTWEIPE-UHFFFAOYSA-N 0 3 313.332 3.280 20 30 DGEDHN COc1cc(CNCc2cc3ccc(F)cc3[nH]2)ccc1C#N ZINC000353211607 434070391 /nfs/dbraw/zinc/07/03/91/434070391.db2.gz OPISLDCOEPRZIP-UHFFFAOYSA-N 0 3 309.344 3.477 20 30 DGEDHN Cc1c(Cl)cccc1N1CCCN(CCOCCC#N)CC1 ZINC000294330990 434090795 /nfs/dbraw/zinc/09/07/95/434090795.db2.gz YNUXFRHZMBJKLX-UHFFFAOYSA-N 0 3 321.852 3.091 20 30 DGEDHN COCCNc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353381605 434096163 /nfs/dbraw/zinc/09/61/63/434096163.db2.gz FZTXRTLZZQZECW-HXUWFJFHSA-N 0 3 321.424 3.394 20 30 DGEDHN COc1ccc(OCCN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353416554 434119294 /nfs/dbraw/zinc/11/92/94/434119294.db2.gz YLHZCANRWWBKAG-IBGZPJMESA-N 0 3 308.381 3.223 20 30 DGEDHN C[C@H](NCCOCCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000294559148 434120240 /nfs/dbraw/zinc/12/02/40/434120240.db2.gz LILWSNMGILPSRM-ZDUSSCGKSA-N 0 3 306.381 3.195 20 30 DGEDHN Cc1oc(NC(=O)CN(C(C)C)C2CCCC2)c(C#N)c1C ZINC000157607035 294035695 /nfs/dbraw/zinc/03/56/95/294035695.db2.gz VLLQWRFQNYOISF-UHFFFAOYSA-N 0 3 303.406 3.360 20 30 DGEDHN COCCN(CCCc1ccc(C)nc1)Cc1ccc(C#N)cc1 ZINC000353463853 434152157 /nfs/dbraw/zinc/15/21/57/434152157.db2.gz YJIMAPALHFPWHR-UHFFFAOYSA-N 0 3 323.440 3.343 20 30 DGEDHN C=CCC(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000315154775 434158354 /nfs/dbraw/zinc/15/83/54/434158354.db2.gz HAKJIRNJZFGWIJ-CQSZACIVSA-N 0 3 311.422 3.236 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000357754169 434165910 /nfs/dbraw/zinc/16/59/10/434165910.db2.gz YTQGYUDPIGNJPJ-IAGOWNOFSA-N 0 3 313.445 3.444 20 30 DGEDHN C[C@H]1CCC[C@H](C)N(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000357754170 434164484 /nfs/dbraw/zinc/16/44/84/434164484.db2.gz YTQGYUDPIGNJPJ-IRXDYDNUSA-N 0 3 313.445 3.444 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(O)c(C)c1)C(C)C ZINC000436935155 434175052 /nfs/dbraw/zinc/17/50/52/434175052.db2.gz JFOOYWWVBZYYIL-KRWDZBQOSA-N 0 3 316.445 3.129 20 30 DGEDHN CN(C)CCN(C(=O)Nc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000353528832 434201188 /nfs/dbraw/zinc/20/11/88/434201188.db2.gz ILUIRKRNKGHJKD-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(C#N)c1)N(C)C ZINC000357854555 434216329 /nfs/dbraw/zinc/21/63/29/434216329.db2.gz QOYMGHLPUOCSLD-BEFAXECRSA-N 0 3 321.424 3.288 20 30 DGEDHN Cc1cc(CN(C)CCCN(C)Cc2ccco2)ccc1C#N ZINC000353549624 434221232 /nfs/dbraw/zinc/22/12/32/434221232.db2.gz KWCHKIREJIXVMU-UHFFFAOYSA-N 0 3 311.429 3.414 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000286367296 434245229 /nfs/dbraw/zinc/24/52/29/434245229.db2.gz ACFPMBDKIZXUNN-VDZJLULYSA-N 0 3 313.445 3.096 20 30 DGEDHN C=CCOCCCN1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000348054414 434285207 /nfs/dbraw/zinc/28/52/07/434285207.db2.gz YOHOQWMQWMYTOP-LJQANCHMSA-N 0 3 302.462 3.176 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC(C2CCC2)C2CCC2)cc1 ZINC000286699561 434289894 /nfs/dbraw/zinc/28/98/94/434289894.db2.gz KBTDQNQYSGZOPE-GOSISDBHSA-N 0 3 321.424 3.326 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2scnc2C)CC1 ZINC000365494857 434298492 /nfs/dbraw/zinc/29/84/92/434298492.db2.gz XWXCGPGSWKOAPK-UHFFFAOYSA-N 0 3 321.490 3.346 20 30 DGEDHN CN(Cc1ccccc1)C1(CNCc2ccc(C#N)o2)CCC1 ZINC000387445102 434320835 /nfs/dbraw/zinc/32/08/35/434320835.db2.gz PXSNBMMCBBALDU-UHFFFAOYSA-N 0 3 309.413 3.296 20 30 DGEDHN C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000390652572 434365594 /nfs/dbraw/zinc/36/55/94/434365594.db2.gz YSEXMFMAKUQOQB-AWEZNQCLSA-N 0 3 324.384 3.399 20 30 DGEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cncn1-c1ccccc1 ZINC000329170593 434371012 /nfs/dbraw/zinc/37/10/12/434371012.db2.gz KBZOXKJKSXRJLH-HNNXBMFYSA-N 0 3 324.428 3.194 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000518844214 294738394 /nfs/dbraw/zinc/73/83/94/294738394.db2.gz UTRRGROSLROGDO-SFHVURJKSA-N 0 3 323.352 3.122 20 30 DGEDHN CCN1CCC[C@H](NC(=O)[C@H](C)NC(=O)C2CCCCC2)C1 ZINC000329054248 434348069 /nfs/dbraw/zinc/34/80/69/434348069.db2.gz XJCJABQWNRAJPX-ZFWWWQNUSA-N 0 3 309.454 3.353 20 30 DGEDHN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C2CC2)c1 ZINC000295417200 434351139 /nfs/dbraw/zinc/35/11/39/434351139.db2.gz NDXOJGYZZPVCFB-ORAYPTAESA-N 0 3 311.429 3.023 20 30 DGEDHN CC[C@@H](C)N[C@H](CNc1snc(C)c1C#N)c1ccco1 ZINC000340941915 434442496 /nfs/dbraw/zinc/44/24/96/434442496.db2.gz CRKISFBTBVTAKO-ZWNOBZJWSA-N 0 3 304.419 3.458 20 30 DGEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)nc1C ZINC000458011979 434442486 /nfs/dbraw/zinc/44/24/86/434442486.db2.gz RIHFYQXDBNVWCW-KRWDZBQOSA-N 0 3 307.397 3.087 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000438051076 434392397 /nfs/dbraw/zinc/39/23/97/434392397.db2.gz BGEWSZSNIIUSFV-VNHYZAJKSA-N 0 3 317.458 3.097 20 30 DGEDHN CC(C)Oc1ccc([C@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000340867423 434401100 /nfs/dbraw/zinc/40/11/00/434401100.db2.gz ANLXWHFTAFQDGE-IBGZPJMESA-N 0 3 324.428 3.455 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000295530573 434402684 /nfs/dbraw/zinc/40/26/84/434402684.db2.gz NIKBMQKUBKVKAH-IBGZPJMESA-N 0 3 311.429 3.469 20 30 DGEDHN CC[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000329425454 434408899 /nfs/dbraw/zinc/40/88/99/434408899.db2.gz IWCXMUKZRAHGBO-YPMHNXCESA-N 0 3 323.462 3.157 20 30 DGEDHN CC[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431360 434420656 /nfs/dbraw/zinc/42/06/56/434420656.db2.gz QLUGGBXFLDCUTO-UXHICEINSA-N 0 3 305.425 3.486 20 30 DGEDHN Cc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cnn1CCC(C)C ZINC000329487384 434421385 /nfs/dbraw/zinc/42/13/85/434421385.db2.gz GQVMVSIDUPPNGF-CQSZACIVSA-N 0 3 318.465 3.193 20 30 DGEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)CC#N ZINC000457991093 434431124 /nfs/dbraw/zinc/43/11/24/434431124.db2.gz IORBYQHXUUCNHB-UHFFFAOYSA-N 0 3 313.401 3.164 20 30 DGEDHN CC(C)=CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295710420 434432162 /nfs/dbraw/zinc/43/21/62/434432162.db2.gz WKSZWIXRCSWMKF-YJBOKZPZSA-N 0 3 309.413 3.492 20 30 DGEDHN C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000353825795 434459360 /nfs/dbraw/zinc/45/93/60/434459360.db2.gz OYVPQSFCRISAHY-FPTDNZKUSA-N 0 3 312.438 3.288 20 30 DGEDHN Cc1nn(C)c2cc(NC(=O)C3CCN(C4CC4)CC3)ccc12 ZINC000329733575 434467012 /nfs/dbraw/zinc/46/70/12/434467012.db2.gz JSDVNCJHSWUIKB-UHFFFAOYSA-N 0 3 312.417 3.344 20 30 DGEDHN Cc1noc(C2CC2)c1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000329768084 434476738 /nfs/dbraw/zinc/47/67/38/434476738.db2.gz GGGPEKUUZYQRIR-LBPRGKRZSA-N 0 3 320.437 3.068 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000360015623 434477815 /nfs/dbraw/zinc/47/78/15/434477815.db2.gz KCCDLCXBRYMBQD-PMPSAXMXSA-N 0 3 313.445 3.041 20 30 DGEDHN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cnn1 ZINC000329826322 434485719 /nfs/dbraw/zinc/48/57/19/434485719.db2.gz IQSBCXHZRNLWPF-HNNXBMFYSA-N 0 3 324.428 3.315 20 30 DGEDHN CO[C@@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000353873307 434489132 /nfs/dbraw/zinc/48/91/32/434489132.db2.gz XDHIVUFTPUQYGR-HXUWFJFHSA-N 0 3 322.408 3.358 20 30 DGEDHN CO[C@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000353873306 434490824 /nfs/dbraw/zinc/49/08/24/434490824.db2.gz XDHIVUFTPUQYGR-FQEVSTJZSA-N 0 3 322.408 3.358 20 30 DGEDHN CCC1(CC)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000438508661 434499240 /nfs/dbraw/zinc/49/92/40/434499240.db2.gz WZGCYWXKOZKVCV-QGZVFWFLSA-N 0 3 311.429 3.176 20 30 DGEDHN COc1ccc(CCN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367258473 434542868 /nfs/dbraw/zinc/54/28/68/434542868.db2.gz CXVNUYAMBQHVKN-UHFFFAOYSA-N 0 3 321.424 3.190 20 30 DGEDHN Cc1nccn1CCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367215451 434543017 /nfs/dbraw/zinc/54/30/17/434543017.db2.gz GTVZJYFWQPKKKN-UHFFFAOYSA-N 0 3 306.413 3.243 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1 ZINC000417906660 434546715 /nfs/dbraw/zinc/54/67/15/434546715.db2.gz COBNHMMEDRVJHD-UXLLHSPISA-N 0 3 301.434 3.086 20 30 DGEDHN Cc1nsc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1C#N ZINC000367518270 434550011 /nfs/dbraw/zinc/55/00/11/434550011.db2.gz HOFCWBZXZCIQBU-DOTOQJQBSA-N 0 3 324.453 3.034 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCCC#N)CC2)C1 ZINC000368102056 434565821 /nfs/dbraw/zinc/56/58/21/434565821.db2.gz WSLDLIUBXXMISB-INIZCTEOSA-N 0 3 321.465 3.259 20 30 DGEDHN CC(=O)N1CCN(CCCC(C)(C)C#N)CC12CCCCC2 ZINC000368466511 434573735 /nfs/dbraw/zinc/57/37/35/434573735.db2.gz MXJLUCDMMRSHBW-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000451929367 434579957 /nfs/dbraw/zinc/57/99/57/434579957.db2.gz NWARJVPYVVJTRF-LJQANCHMSA-N 0 3 317.477 3.185 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)C(C)(C)C1 ZINC000354012717 434574549 /nfs/dbraw/zinc/57/45/49/434574549.db2.gz ANPISRWNOAMJNV-AWEZNQCLSA-N 0 3 302.418 3.314 20 30 DGEDHN C=CCc1cc(CNC[C@H](CC(C)C)OC)cc(OC)c1O ZINC000418093215 434585352 /nfs/dbraw/zinc/58/53/52/434585352.db2.gz GPUGODSFQOYHMN-INIZCTEOSA-N 0 3 307.434 3.280 20 30 DGEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000330261026 295389904 /nfs/dbraw/zinc/38/99/04/295389904.db2.gz OTOQWSBTSAJDSX-DULBBIMMSA-N 0 3 318.461 3.069 20 30 DGEDHN CCc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424063703 434612945 /nfs/dbraw/zinc/61/29/45/434612945.db2.gz INKKVNULHLTYGW-DLBZAZTESA-N 0 3 301.434 3.083 20 30 DGEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424070116 434613777 /nfs/dbraw/zinc/61/37/77/434613777.db2.gz RKCDKFQJIPRGOB-GJZGRUSLSA-N 0 3 307.825 3.174 20 30 DGEDHN COCCN(CCCCC(C)(C)C#N)Cc1c(C)nn(C)c1C ZINC000459572117 434614485 /nfs/dbraw/zinc/61/44/85/434614485.db2.gz HOTFPAVTTHDCQO-UHFFFAOYSA-N 0 3 320.481 3.205 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424090443 434620189 /nfs/dbraw/zinc/62/01/89/434620189.db2.gz KLFVUNLMPMYJJW-MLGOLLRUSA-N 0 3 319.836 3.413 20 30 DGEDHN CCC(CC)(NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424112071 434624291 /nfs/dbraw/zinc/62/42/91/434624291.db2.gz IHWUKHNCRLSWFB-HNNXBMFYSA-N 0 3 321.852 3.493 20 30 DGEDHN CCC[C@@H]1CCc2nc(NC(=O)[C@H](N)CCCC#N)sc2C1 ZINC000424113203 434624832 /nfs/dbraw/zinc/62/48/32/434624832.db2.gz MIVISFYKEXTOHQ-VXGBXAGGSA-N 0 3 320.462 3.008 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000424112720 434625351 /nfs/dbraw/zinc/62/53/51/434625351.db2.gz KPBJTMRKDDKGIG-MRXNPFEDSA-N 0 3 313.426 3.302 20 30 DGEDHN CCC(CC)[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424107449 434626183 /nfs/dbraw/zinc/62/61/83/434626183.db2.gz ZVDBNUWJXCQGPB-ZFWWWQNUSA-N 0 3 307.463 3.363 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000424118667 434627156 /nfs/dbraw/zinc/62/71/56/434627156.db2.gz CBQBBIQIKYQHSH-VJFUWPCTSA-N 0 3 313.445 3.098 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424119007 434627714 /nfs/dbraw/zinc/62/77/14/434627714.db2.gz DBCKLTYFOOKBFE-ZENOOKHLSA-N 0 3 321.852 3.312 20 30 DGEDHN CC(C)n1cncc1CNCCSCc1ccccc1C#N ZINC000424125867 434631168 /nfs/dbraw/zinc/63/11/68/434631168.db2.gz ARYNJRJHIKZZNJ-UHFFFAOYSA-N 0 3 314.458 3.359 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418367270 434636419 /nfs/dbraw/zinc/63/64/19/434636419.db2.gz ZIHBWGOMVFEWRM-SFHVURJKSA-N 0 3 315.461 3.417 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000371088825 434641709 /nfs/dbraw/zinc/64/17/09/434641709.db2.gz PNHRLWRBWUNNNW-MGPUTAFESA-N 0 3 321.424 3.254 20 30 DGEDHN Cc1nc([C@@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)n[nH]1 ZINC000439447655 434603735 /nfs/dbraw/zinc/60/37/35/434603735.db2.gz FGXKWZNUCGGFJK-CQSZACIVSA-N 0 3 315.808 3.018 20 30 DGEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000439447655 434603741 /nfs/dbraw/zinc/60/37/41/434603741.db2.gz FGXKWZNUCGGFJK-CQSZACIVSA-N 0 3 315.808 3.018 20 30 DGEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)[nH]1 ZINC000439447655 434603762 /nfs/dbraw/zinc/60/37/62/434603762.db2.gz FGXKWZNUCGGFJK-CQSZACIVSA-N 0 3 315.808 3.018 20 30 DGEDHN CC(=O)NC1CCC(N(C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447603 434604006 /nfs/dbraw/zinc/60/40/06/434604006.db2.gz RYPPAPPMXXFKFG-UHFFFAOYSA-N 0 3 319.836 3.091 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418446398 434654923 /nfs/dbraw/zinc/65/49/23/434654923.db2.gz ICYOEJAPHQPEJZ-GOSISDBHSA-N 0 3 315.461 3.464 20 30 DGEDHN CC(C)(CC#N)CNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000459688962 434663984 /nfs/dbraw/zinc/66/39/84/434663984.db2.gz IJYITXVVRKCLRF-KRWDZBQOSA-N 0 3 302.418 3.274 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)c1cccc(F)c1C#N ZINC000354205440 434669318 /nfs/dbraw/zinc/66/93/18/434669318.db2.gz BEYAZOILJNBTOK-UHFFFAOYSA-N 0 3 311.360 3.054 20 30 DGEDHN COc1cc(CNCCCN2CCc3ccccc32)ccc1C#N ZINC000440811914 434746308 /nfs/dbraw/zinc/74/63/08/434746308.db2.gz ZMYPFHQHYFNOQQ-UHFFFAOYSA-N 0 3 321.424 3.109 20 30 DGEDHN COc1cc(CNC[C@H](C)Oc2cccc(F)c2)ccc1C#N ZINC000440824177 434748893 /nfs/dbraw/zinc/74/88/93/434748893.db2.gz TZEGEKVNEZTACL-ZDUSSCGKSA-N 0 3 314.360 3.263 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)NCC(F)(F)F ZINC000411257164 434751465 /nfs/dbraw/zinc/75/14/65/434751465.db2.gz JYFJRQXEXASOPO-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN N#CC1(CCN2CCC[C@@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000411271363 434754595 /nfs/dbraw/zinc/75/45/95/434754595.db2.gz GYEVHBQYDJQYIJ-OLZOCXBDSA-N 0 3 304.356 3.238 20 30 DGEDHN Cc1cc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000459775076 434712729 /nfs/dbraw/zinc/71/27/29/434712729.db2.gz QIVCJFJWTBWGCP-CQSZACIVSA-N 0 3 302.418 3.276 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000459785966 434719266 /nfs/dbraw/zinc/71/92/66/434719266.db2.gz AWXNBMBNLORNOJ-LBPRGKRZSA-N 0 3 306.381 3.107 20 30 DGEDHN COc1cc(CN[C@H](C)COc2cccc(F)c2)ccc1C#N ZINC000440803412 434743954 /nfs/dbraw/zinc/74/39/54/434743954.db2.gz ASQZPIISDSEMMK-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN COc1cc(CNC[C@H](c2ccc(C)cc2)N(C)C)ccc1C#N ZINC000440805910 434744510 /nfs/dbraw/zinc/74/45/10/434744510.db2.gz QFROSNNAQDZJMN-LJQANCHMSA-N 0 3 323.440 3.268 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000411345496 434765704 /nfs/dbraw/zinc/76/57/04/434765704.db2.gz YSDXLXJNUBNDPQ-OLZOCXBDSA-N 0 3 320.824 3.078 20 30 DGEDHN C=CCN(C(=O)NCCN1CCC2(CCCCC2)CC1)C1CC1 ZINC000442627051 434771884 /nfs/dbraw/zinc/77/18/84/434771884.db2.gz QQCIWABJEVQOFQ-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN N#Cc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)ccc1F ZINC000361028480 434772478 /nfs/dbraw/zinc/77/24/78/434772478.db2.gz HVAVOFCBWIIRGG-GDBMZVCRSA-N 0 3 302.393 3.336 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419372886 434781798 /nfs/dbraw/zinc/78/17/98/434781798.db2.gz MXRIYXFBLTWDKG-WCXIOVBPSA-N 0 3 313.445 3.298 20 30 DGEDHN COCCOCc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000361120385 434803591 /nfs/dbraw/zinc/80/35/91/434803591.db2.gz BFJVRMILHWSDIA-UHFFFAOYSA-N 0 3 324.424 3.320 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054944 434862010 /nfs/dbraw/zinc/86/20/10/434862010.db2.gz JXAHZXPIAAOOFM-CRAIPNDOSA-N 0 3 311.429 3.096 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ncccc1C(F)(F)F ZINC000411649115 434812185 /nfs/dbraw/zinc/81/21/85/434812185.db2.gz QSWSAZPNQMEBMU-UHFFFAOYSA-N 0 3 301.356 3.040 20 30 DGEDHN C[C@@H](CCC#N)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000411647123 434813686 /nfs/dbraw/zinc/81/36/86/434813686.db2.gz NQPDWVHMAHRKLO-HOTGVXAUSA-N 0 3 308.429 3.438 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)[C@H](CC(N)=O)c1ccccc1 ZINC000411666141 434814305 /nfs/dbraw/zinc/81/43/05/434814305.db2.gz LRGKECVAUQQTRX-QGZVFWFLSA-N 0 3 313.445 3.399 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000411813375 434831419 /nfs/dbraw/zinc/83/14/19/434831419.db2.gz AJVWWPUKXRMTAY-OLZOCXBDSA-N 0 3 304.356 3.360 20 30 DGEDHN C=CCC[C@H](NC(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000445875023 434833927 /nfs/dbraw/zinc/83/39/27/434833927.db2.gz MCBKTEDOPWQUCW-KRWDZBQOSA-N 0 3 315.461 3.477 20 30 DGEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)Nc1ccc(C#N)cc1 ZINC000445886448 434835163 /nfs/dbraw/zinc/83/51/63/434835163.db2.gz PZIQMCXNPIVAMF-CYBMUJFWSA-N 0 3 313.323 3.063 20 30 DGEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000453264917 434845352 /nfs/dbraw/zinc/84/53/52/434845352.db2.gz JARSABJEMJJWDJ-ICSRJNTNSA-N 0 3 306.409 3.393 20 30 DGEDHN C=CCC[C@H](O)CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995581 434852328 /nfs/dbraw/zinc/85/23/28/434852328.db2.gz DNTHXJPWLHNUBY-ZWKOTPCHSA-N 0 3 301.430 3.167 20 30 DGEDHN C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000553230970 434884061 /nfs/dbraw/zinc/88/40/61/434884061.db2.gz LCWWMNXUPHNCCJ-YVEFUNNKSA-N 0 3 314.820 3.710 20 30 DGEDHN CC#CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000553704100 434898903 /nfs/dbraw/zinc/89/89/03/434898903.db2.gz UOQUWVJNGQAQTC-MRXNPFEDSA-N 0 3 321.852 3.045 20 30 DGEDHN C=CC1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000522086257 434911394 /nfs/dbraw/zinc/91/13/94/434911394.db2.gz URZWQWKGWMTHKW-UHFFFAOYSA-N 0 3 317.433 3.057 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000522467683 434924307 /nfs/dbraw/zinc/92/43/07/434924307.db2.gz YJRIZKIOCSZWRG-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000556760110 435023395 /nfs/dbraw/zinc/02/33/95/435023395.db2.gz RWOOWEIADGHYAF-OALUTQOASA-N 0 3 312.461 3.176 20 30 DGEDHN COc1ccc([C@@H](NCCOc2ccc(C#N)cc2)C2CC2)cn1 ZINC000528849009 435029574 /nfs/dbraw/zinc/02/95/74/435029574.db2.gz QBQZBGJBDPQIRM-IBGZPJMESA-N 0 3 323.396 3.082 20 30 DGEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000528913921 435030482 /nfs/dbraw/zinc/03/04/82/435030482.db2.gz OWABDESQYCEQNY-GFCCVEGCSA-N 0 3 320.274 3.122 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000529044102 435032110 /nfs/dbraw/zinc/03/21/10/435032110.db2.gz JYFVZVZEFUEMCP-WGHBWEFSSA-N 0 3 304.415 3.256 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2cc(F)ccc2C1 ZINC000555580104 434979347 /nfs/dbraw/zinc/97/93/47/434979347.db2.gz NOMZNOHVXHBGGA-KRWDZBQOSA-N 0 3 322.383 3.483 20 30 DGEDHN N#Cc1ccc(CN(CCCO)[C@H]2CCCc3ccccc32)nc1 ZINC000555674201 434982980 /nfs/dbraw/zinc/98/29/80/434982980.db2.gz IBFUIBNHXMJWBB-FQEVSTJZSA-N 0 3 321.424 3.215 20 30 DGEDHN C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ncc[nH]1 ZINC000556865654 435032691 /nfs/dbraw/zinc/03/26/91/435032691.db2.gz TVYHUXKALGIEMK-JEYLPNPQSA-N 0 3 310.401 3.322 20 30 DGEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000464726881 434995436 /nfs/dbraw/zinc/99/54/36/434995436.db2.gz ALTOVKJHRLFFIB-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)(C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(F)cc1 ZINC000527377574 435011423 /nfs/dbraw/zinc/01/14/23/435011423.db2.gz UNDDCGTZLNJZNA-INIZCTEOSA-N 0 3 317.408 3.065 20 30 DGEDHN C=CCCCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000577823766 435061930 /nfs/dbraw/zinc/06/19/30/435061930.db2.gz MDBSCRNGIWBGSO-HNNXBMFYSA-N 0 3 314.351 3.352 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000466366831 435073220 /nfs/dbraw/zinc/07/32/20/435073220.db2.gz MDGQVFWRWPYKFK-KRWDZBQOSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000466409539 435077035 /nfs/dbraw/zinc/07/70/35/435077035.db2.gz MMOUKUZWEHATRY-KRWDZBQOSA-N 0 3 309.498 3.495 20 30 DGEDHN CCC[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000466481608 435078104 /nfs/dbraw/zinc/07/81/04/435078104.db2.gz IYYHOEKHBMTKDX-MRXNPFEDSA-N 0 3 305.466 3.183 20 30 DGEDHN CCn1c2ccccc2nc1CNCCc1cccc(C#N)c1 ZINC000578477296 435085800 /nfs/dbraw/zinc/08/58/00/435085800.db2.gz DZFFILCLVKLJCX-UHFFFAOYSA-N 0 3 304.397 3.260 20 30 DGEDHN N#Cc1ccncc1O[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529597024 435037978 /nfs/dbraw/zinc/03/79/78/435037978.db2.gz UTLLPSXXFHTMMN-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN C[C@H](CN(C)Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000529674610 435039347 /nfs/dbraw/zinc/03/93/47/435039347.db2.gz SZRAUKBPFJOGQM-CQSZACIVSA-N 0 3 311.433 3.249 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1COCc2ccccc21 ZINC000576728764 435057375 /nfs/dbraw/zinc/05/73/75/435057375.db2.gz XVLZIDAHNUKYBZ-VQIMIIECSA-N 0 3 320.392 3.147 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466928963 435100515 /nfs/dbraw/zinc/10/05/15/435100515.db2.gz LGOJGYWZGBNUSY-QAPCUYQASA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466928961 435101270 /nfs/dbraw/zinc/10/12/70/435101270.db2.gz LGOJGYWZGBNUSY-CRAIPNDOSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000466934383 435101487 /nfs/dbraw/zinc/10/14/87/435101487.db2.gz OQHCKAYDMLVXEJ-QGZVFWFLSA-N 0 3 303.450 3.287 20 30 DGEDHN CCC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000559272809 435126176 /nfs/dbraw/zinc/12/61/76/435126176.db2.gz FMCLFQGZUZRLLH-QGZVFWFLSA-N 0 3 305.385 3.232 20 30 DGEDHN CC(C)C[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000468825167 435129230 /nfs/dbraw/zinc/12/92/30/435129230.db2.gz CZWDYKQKEYNHKE-RYRKJORJSA-N 0 3 307.482 3.187 20 30 DGEDHN CC[C@H](CN1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000579189864 435136229 /nfs/dbraw/zinc/13/62/29/435136229.db2.gz MAYMQYQCNMKUBH-QGZVFWFLSA-N 0 3 320.440 3.269 20 30 DGEDHN N#Cc1cnn2cc(CNCCCCCc3ccccc3)cnc12 ZINC000559986418 435145353 /nfs/dbraw/zinc/14/53/53/435145353.db2.gz LJGZSFJEXUVQMP-UHFFFAOYSA-N 0 3 319.412 3.104 20 30 DGEDHN Cc1cc(CNCCNc2ccc3ccccc3n2)ccc1C#N ZINC000582764362 435240607 /nfs/dbraw/zinc/24/06/07/435240607.db2.gz JKCYXAPANHWZNN-UHFFFAOYSA-N 0 3 316.408 3.617 20 30 DGEDHN C=CCC1(NCc2cc(OC)c(O)cc2Cl)CCOCC1 ZINC000639315766 435240933 /nfs/dbraw/zinc/24/09/33/435240933.db2.gz UAGRNCZWZWXXOF-UHFFFAOYSA-N 0 3 311.809 3.269 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000639338787 435253591 /nfs/dbraw/zinc/25/35/91/435253591.db2.gz CEZNJBWUEAUGGU-HXUWFJFHSA-N 0 3 324.424 3.438 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1=CCCC1 ZINC000562964192 435265030 /nfs/dbraw/zinc/26/50/30/435265030.db2.gz OFWLZZNRKKZSSL-QGZVFWFLSA-N 0 3 321.424 3.493 20 30 DGEDHN C[C@@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000496972286 435277296 /nfs/dbraw/zinc/27/72/96/435277296.db2.gz CBIPKNVVBLBGNM-RDTXWAMCSA-N 0 3 323.396 3.330 20 30 DGEDHN Cc1cc(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)ccc1C#N ZINC000496975452 435278746 /nfs/dbraw/zinc/27/87/46/435278746.db2.gz RDTRLOFJTOJFQA-ZIAGYGMSSA-N 0 3 317.433 3.258 20 30 DGEDHN Cc1nn(-c2cccc(F)c2)cc1CN1CCC(CC#N)CC1 ZINC000567141954 435291816 /nfs/dbraw/zinc/29/18/16/435291816.db2.gz NKEVIVJPBMHMCW-UHFFFAOYSA-N 0 3 312.392 3.446 20 30 DGEDHN C[C@@H](CCNCc1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000497170606 435301280 /nfs/dbraw/zinc/30/12/80/435301280.db2.gz SBRSDLVCJSUAGE-LBPRGKRZSA-N 0 3 321.396 3.090 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000478646239 435306372 /nfs/dbraw/zinc/30/63/72/435306372.db2.gz FCVYTMGBJKXZMM-JKSUJKDBSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000477299239 435264104 /nfs/dbraw/zinc/26/41/04/435264104.db2.gz MDQWTEFVXLAHMA-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN COC(=O)c1cccc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)c1C#N ZINC000535963196 435364493 /nfs/dbraw/zinc/36/44/93/435364493.db2.gz JNHGDGSXUGKEGX-LBTNJELSSA-N 0 3 312.413 3.498 20 30 DGEDHN C=CCOCCN[C@H]1CCc2c1ccc(F)c2Br ZINC000648510123 435325701 /nfs/dbraw/zinc/32/57/01/435325701.db2.gz VXABHIGCHHLPCF-ZDUSSCGKSA-N 0 3 314.198 3.368 20 30 DGEDHN Cc1ccc(NC(=O)CCN[C@@H](CCC#N)c2ccccc2)nc1 ZINC000567578866 435331259 /nfs/dbraw/zinc/33/12/59/435331259.db2.gz APYSCOGDCLIGGL-KRWDZBQOSA-N 0 3 322.412 3.353 20 30 DGEDHN C=CCCC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000648565540 435344485 /nfs/dbraw/zinc/34/44/85/435344485.db2.gz DQJGGYODKYZDSQ-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC(C)(C)C1CC1)C(C)C ZINC000535745788 435345403 /nfs/dbraw/zinc/34/54/03/435345403.db2.gz ZFNGUYUEAPASGP-MRXNPFEDSA-N 0 3 307.482 3.173 20 30 DGEDHN COc1ccc(Oc2ccc(CCNC(=O)C(C)C#N)cc2)cc1 ZINC000535884594 435361838 /nfs/dbraw/zinc/36/18/38/435361838.db2.gz GBRZWCXZYONEED-CQSZACIVSA-N 0 3 324.380 3.306 20 30 DGEDHN C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(C#N)c(F)c1 ZINC000567368329 435313209 /nfs/dbraw/zinc/31/32/09/435313209.db2.gz SNBAROIVBLALJJ-BDJLRTHQSA-N 0 3 314.335 3.491 20 30 DGEDHN C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H](c1ccccc1)N(C)C ZINC000596217845 435313420 /nfs/dbraw/zinc/31/34/20/435313420.db2.gz XSCYCYBUDFUSOO-MFKMUULPSA-N 0 3 320.849 3.771 20 30 DGEDHN CC[C@H](C)N[C@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000596230071 435314383 /nfs/dbraw/zinc/31/43/83/435314383.db2.gz GFFLSDCYSRUTRS-GXSJLCMTSA-N 0 3 324.837 3.802 20 30 DGEDHN Cc1cccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000537088623 435424369 /nfs/dbraw/zinc/42/43/69/435424369.db2.gz QAVKBYMKRVAALU-TXPKVOOTSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C(C)CN(C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000481222386 435415065 /nfs/dbraw/zinc/41/50/65/435415065.db2.gz CWCMNMGMBLZUPJ-UHFFFAOYSA-N 0 3 316.474 3.203 20 30 DGEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)[C@@H]2CCCC[C@@H]12 ZINC000515385295 435480677 /nfs/dbraw/zinc/48/06/77/435480677.db2.gz ZTALUIYAMUKUIM-XOKHGSTOSA-N 0 3 309.417 3.002 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@]1(C)CCCc2ccccc21 ZINC000537605489 435453594 /nfs/dbraw/zinc/45/35/94/435453594.db2.gz OXJJYTHXNYDDDY-IBGZPJMESA-N 0 3 300.446 3.252 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H]1Cc1ccccc1 ZINC000515107008 435464330 /nfs/dbraw/zinc/46/43/30/435464330.db2.gz XVQDFHJNUBWOLD-GOSISDBHSA-N 0 3 319.408 3.204 20 30 DGEDHN COc1ccc(OC2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000537363188 435440424 /nfs/dbraw/zinc/44/04/24/435440424.db2.gz KBACWVSWVWPEQB-UHFFFAOYSA-N 0 3 302.418 3.478 20 30 DGEDHN COc1ccccc1OCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537400400 435441095 /nfs/dbraw/zinc/44/10/95/435441095.db2.gz ZVRAQQNTTKJURF-ZDUSSCGKSA-N 0 3 314.360 3.436 20 30 DGEDHN C=CCC[C@H](O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481821196 435443817 /nfs/dbraw/zinc/44/38/17/435443817.db2.gz DKJHSMCFHRQXIV-TWMKSMIVSA-N 0 3 323.477 3.288 20 30 DGEDHN C[C@H]1CCc2ccccc2[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000515846169 435506077 /nfs/dbraw/zinc/50/60/77/435506077.db2.gz IAOYFNOOHCLELG-SCLBCKFNSA-N 0 3 317.396 3.014 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C)=C(C)C1 ZINC000483376422 435515468 /nfs/dbraw/zinc/51/54/68/435515468.db2.gz PVFRNCUAACAVRD-SFHVURJKSA-N 0 3 301.430 3.197 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000538751743 435521635 /nfs/dbraw/zinc/52/16/35/435521635.db2.gz KWZMHVTWDPAXKJ-INIZCTEOSA-N 0 3 317.429 3.415 20 30 DGEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)[C@@H]2CCCC[C@H]12 ZINC000515385294 435481585 /nfs/dbraw/zinc/48/15/85/435481585.db2.gz ZTALUIYAMUKUIM-KBRIMQKVSA-N 0 3 309.417 3.002 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000483137987 435498525 /nfs/dbraw/zinc/49/85/25/435498525.db2.gz LZVCATCWKHORBY-IKGGRYGDSA-N 0 3 321.509 3.398 20 30 DGEDHN CCCC1CCC(N(C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000484890378 435556287 /nfs/dbraw/zinc/55/62/87/435556287.db2.gz FBLWEAREIPOILD-LEOMRAHMSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000649307984 435562904 /nfs/dbraw/zinc/56/29/04/435562904.db2.gz SAYNYBOSEUKATO-GOSISDBHSA-N 0 3 302.393 3.423 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000539227027 435542285 /nfs/dbraw/zinc/54/22/85/435542285.db2.gz NXDCUHQBSVYORQ-GFCCVEGCSA-N 0 3 307.340 3.499 20 30 DGEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000486786724 435613920 /nfs/dbraw/zinc/61/39/20/435613920.db2.gz FAGYNAVCTYDAPQ-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1CCC1CCCC1)C1CC1 ZINC000486798104 435616721 /nfs/dbraw/zinc/61/67/21/435616721.db2.gz JOLXFNBMHQWOPO-IEBWSBKVSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000540487702 435603346 /nfs/dbraw/zinc/60/33/46/435603346.db2.gz KJDUYJQXMHJAMJ-FUHWJXTLSA-N 0 3 315.461 3.305 20 30 DGEDHN C[C@@H]1C[C@H]1N1CCN(c2cc(Cl)ccc2C#N)C[C@@H](C)C1 ZINC000488757732 435643486 /nfs/dbraw/zinc/64/34/86/435643486.db2.gz ZSZHGUCIQURMLY-WOSRLPQWSA-N 0 3 303.837 3.378 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000518844213 435657584 /nfs/dbraw/zinc/65/75/84/435657584.db2.gz UTRRGROSLROGDO-GOSISDBHSA-N 0 3 323.352 3.122 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1C#N ZINC000541122923 435638787 /nfs/dbraw/zinc/63/87/87/435638787.db2.gz JZYLPSMCFZYJFV-YEWWUXTCSA-N 0 3 312.413 3.355 20 30 DGEDHN C#CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000490741328 435676346 /nfs/dbraw/zinc/67/63/46/435676346.db2.gz UGPBEZNHWQIALY-UHFFFAOYSA-N 0 3 308.219 3.063 20 30 DGEDHN CN1CCC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000571320677 435696909 /nfs/dbraw/zinc/69/69/09/435696909.db2.gz NKLGYMWVQCHLHN-GFCCVEGCSA-N 0 3 300.793 3.266 20 30 DGEDHN C#C[C@@H](NC1CCC(C(=O)OC)CC1)c1ccc(Cl)cc1 ZINC000491277008 435724843 /nfs/dbraw/zinc/72/48/43/435724843.db2.gz LZYZSJVYQVCEAW-AVVWSFFYSA-N 0 3 305.805 3.336 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000491315443 435728252 /nfs/dbraw/zinc/72/82/52/435728252.db2.gz NHMRQXPKSMBEHO-UHFFFAOYSA-N 0 3 319.408 3.032 20 30 DGEDHN C=CCC1(NC(=O)NCc2ccc3c(c2)CNC3)CCCCC1 ZINC000641174641 435710998 /nfs/dbraw/zinc/71/09/98/435710998.db2.gz UJKYOTHZOZSHQB-UHFFFAOYSA-N 0 3 313.445 3.368 20 30 DGEDHN C=CCC[C@@H](CO)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000641759597 435813575 /nfs/dbraw/zinc/81/35/75/435813575.db2.gz HCEGRNCORSVLDO-INIZCTEOSA-N 0 3 317.408 3.045 20 30 DGEDHN C=CC[C@@H]1CC[C@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000651749876 435813824 /nfs/dbraw/zinc/81/38/24/435813824.db2.gz MFRWZKCJZVVINK-MNOVXSKESA-N 0 3 312.335 3.377 20 30 DGEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000491568603 435774621 /nfs/dbraw/zinc/77/46/21/435774621.db2.gz RACLYPYOFXBUBW-KRWDZBQOSA-N 0 3 310.397 3.171 20 30 DGEDHN C=CC[C@H]1CC[C@@H](NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000651790332 435828140 /nfs/dbraw/zinc/82/81/40/435828140.db2.gz SRHOVYADXVFARH-QWHCGFSZSA-N 0 3 313.488 3.376 20 30 DGEDHN C=CC[C@H]1CC[C@H](NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000651790333 435829524 /nfs/dbraw/zinc/82/95/24/435829524.db2.gz SRHOVYADXVFARH-STQMWFEESA-N 0 3 313.488 3.376 20 30 DGEDHN C[C@@H]1C[C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2nccn21 ZINC000572590532 435843396 /nfs/dbraw/zinc/84/33/96/435843396.db2.gz ZRKLMBJECLZDDI-RDTXWAMCSA-N 0 3 321.428 3.019 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3cncc(Cl)c3)CC2)C1 ZINC000572732951 435860687 /nfs/dbraw/zinc/86/06/87/435860687.db2.gz VJIDCLFJPPHFKD-JSGCOSHPSA-N 0 3 305.809 3.270 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)C2CCCCC2)CC1 ZINC000660704379 435864680 /nfs/dbraw/zinc/86/46/80/435864680.db2.gz NOBOTEQAQKUATO-HNNXBMFYSA-N 0 3 307.482 3.152 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]4CCC[C@@H]43)C2=O)cc1 ZINC000572851909 435877088 /nfs/dbraw/zinc/87/70/88/435877088.db2.gz AUIIBSQUNMXEBB-WDSOQIARSA-N 0 3 323.440 3.318 20 30 DGEDHN C=CCCC1(CNC(=O)NC2CCN(CC)CC2)CCCC1 ZINC000660818314 435902580 /nfs/dbraw/zinc/90/25/80/435902580.db2.gz ASTSTVLACQFJLC-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000652232578 435929811 /nfs/dbraw/zinc/92/98/11/435929811.db2.gz HFQHRDHBEYUYCR-SFHVURJKSA-N 0 3 315.461 3.164 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2ccccc2c(=O)n1C ZINC000661115911 435969080 /nfs/dbraw/zinc/96/90/80/435969080.db2.gz GHWSCQDKQGJYRC-HOCLYGCPSA-N 0 3 311.429 3.158 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000661367366 436044042 /nfs/dbraw/zinc/04/40/42/436044042.db2.gz IHTQZAVIQQRDKB-IXDOHACOSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000661383862 436050163 /nfs/dbraw/zinc/05/01/63/436050163.db2.gz FOQOSBYTPZFQOR-AWEZNQCLSA-N 0 3 300.406 3.172 20 30 DGEDHN C=CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000665945297 436102672 /nfs/dbraw/zinc/10/26/72/436102672.db2.gz HQCFSPZMFVEHMK-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCC[C@@H](O)CN1CCc2nc(-c3ccccc3)sc2C1 ZINC000661548066 436105085 /nfs/dbraw/zinc/10/50/85/436105085.db2.gz NEFDKKJLQODDJG-OAHLLOKOSA-N 0 3 314.454 3.495 20 30 DGEDHN C=CCCn1cc(CNCC2(c3ccc(F)cc3)CCC2)nn1 ZINC000657339734 436146083 /nfs/dbraw/zinc/14/60/83/436146083.db2.gz KEHVZWGJKUCYAL-UHFFFAOYSA-N 0 3 314.408 3.205 20 30 DGEDHN C=CCCn1cc(CNCC2(Cc3ccccc3)CCC2)nn1 ZINC000657395902 436178707 /nfs/dbraw/zinc/17/87/07/436178707.db2.gz ZZLBGEDQAZUQDG-UHFFFAOYSA-N 0 3 310.445 3.357 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1c(Br)cnn1C ZINC000657531140 436236839 /nfs/dbraw/zinc/23/68/39/436236839.db2.gz XGXKJYOKQPERDZ-YPMHNXCESA-N 0 3 312.255 3.407 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661850166 436208921 /nfs/dbraw/zinc/20/89/21/436208921.db2.gz ZBZMRRNMTJEPIU-JKSUJKDBSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@H]2CCCCO2)CC1 ZINC000661870561 436218483 /nfs/dbraw/zinc/21/84/83/436218483.db2.gz JSKFPOGLJZRLSO-FUHWJXTLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657482053 436221244 /nfs/dbraw/zinc/22/12/44/436221244.db2.gz OLEXEAWUMZXEEE-SJORKVTESA-N 0 3 314.360 3.446 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000662079577 436267712 /nfs/dbraw/zinc/26/77/12/436267712.db2.gz KLMQMBMCJCRDLV-XYPHTWIQSA-N 0 3 302.393 3.013 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCN(c2ccccc2F)C1=O ZINC000662084755 436269903 /nfs/dbraw/zinc/26/99/03/436269903.db2.gz WBLRHOQXIXLINU-JKIFEVAISA-N 0 3 300.377 3.114 20 30 DGEDHN C=CCOc1ccc(CNC[C@H]2CCC[C@H](C)O2)cc1OC ZINC000657666739 436272312 /nfs/dbraw/zinc/27/23/12/436272312.db2.gz SWCNCSYMSSUWEA-GOEBONIOSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccccc1 ZINC000657850726 436326522 /nfs/dbraw/zinc/32/65/22/436326522.db2.gz LAHMVOABJCLEQY-WBVHZDCISA-N 0 3 307.459 3.185 20 30 DGEDHN C=CCOc1ccccc1CN[C@H](COC)CC1CCOCC1 ZINC000657882384 436331578 /nfs/dbraw/zinc/33/15/78/436331578.db2.gz YWPOXRLXLYVPMA-SFHVURJKSA-N 0 3 319.445 3.173 20 30 DGEDHN C=CCC1(CNC(=O)CCN(C)c2ccncc2)CCCC1 ZINC000654081856 436339884 /nfs/dbraw/zinc/33/98/84/436339884.db2.gz HLICOQFUXGIDAW-UHFFFAOYSA-N 0 3 301.434 3.161 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CCNC2 ZINC000662599796 436367686 /nfs/dbraw/zinc/36/76/86/436367686.db2.gz ATPNPSWRBPLTKJ-JSGCOSHPSA-N 0 3 304.459 3.259 20 30 DGEDHN C=CCCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000658115810 436380716 /nfs/dbraw/zinc/38/07/16/436380716.db2.gz WLPCSYZGJDMPTB-IAGOWNOFSA-N 0 3 307.459 3.246 20 30 DGEDHN C=CCC[C@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccco1 ZINC000658304947 436424177 /nfs/dbraw/zinc/42/41/77/436424177.db2.gz IALOTNIOWKTGIY-HOTGVXAUSA-N 0 3 317.433 3.167 20 30 DGEDHN C=CCCC1(CNC(=O)[C@@H](CN)c2ccccc2)CCCC1 ZINC000659335292 436496786 /nfs/dbraw/zinc/49/67/86/436496786.db2.gz YABRIYOLCLTAFZ-KRWDZBQOSA-N 0 3 300.446 3.372 20 30 DGEDHN C=CCn1c([C@H](C)CC)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655615859 436568571 /nfs/dbraw/zinc/56/85/71/436568571.db2.gz LUCDFXPGBDQAPN-OAHLLOKOSA-N 0 3 319.497 3.288 20 30 DGEDHN C=C(C)[C@H](NC[C@H](OC)[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000660312058 436622018 /nfs/dbraw/zinc/62/20/18/436622018.db2.gz NRPUZKTUNRZHIS-JQFCIGGWSA-N 0 3 311.372 3.223 20 30 DGEDHN C=CCC[C@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000664497355 436610733 /nfs/dbraw/zinc/61/07/33/436610733.db2.gz QUOIKTDKQRIHFQ-ROUUACIJSA-N 0 3 315.461 3.430 20 30 DGEDHN N#CCNC(=O)CN(C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000464728954 303155510 /nfs/dbraw/zinc/15/55/10/303155510.db2.gz HMLUPESLKDZPDU-MSOLQXFVSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000174357460 312763003 /nfs/dbraw/zinc/76/30/03/312763003.db2.gz DHXURNCDTGPWMH-DNVCBOLYSA-N 0 3 319.408 3.404 20 30 DGEDHN COc1ccccc1O[C@@H](C)CNCc1cc(C#N)cs1 ZINC000177707387 312783181 /nfs/dbraw/zinc/78/31/81/312783181.db2.gz VNAITISWUQHQHA-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000542691037 314091583 /nfs/dbraw/zinc/09/15/83/314091583.db2.gz OJJGFZGGYDWDOK-UHFFFAOYSA-N 0 3 319.836 3.158 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)NCc1cccc(C#N)c1 ZINC000546935124 314337778 /nfs/dbraw/zinc/33/77/78/314337778.db2.gz KHIDBPIXEGOBRP-INIZCTEOSA-N 0 3 321.424 3.142 20 30 DGEDHN CCCN(Cc1ccc(C)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000563154403 315083711 /nfs/dbraw/zinc/08/37/11/315083711.db2.gz NSISNXYJFKWBEM-UHFFFAOYSA-N 0 3 319.412 3.322 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)c(F)c1 ZINC000566719183 315369657 /nfs/dbraw/zinc/36/96/57/315369657.db2.gz WEVOIWBJKVIWOH-AEFFLSMTSA-N 0 3 311.360 3.102 20 30 DGEDHN COc1ccc(C[C@H](C)CN(C)Cc2ccc(C#N)cn2)cc1 ZINC000576594145 316147431 /nfs/dbraw/zinc/14/74/31/316147431.db2.gz KFLQKFVTZOLDHK-HNNXBMFYSA-N 0 3 309.413 3.272 20 30 DGEDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000577974006 316290393 /nfs/dbraw/zinc/29/03/93/316290393.db2.gz ZHLHZYGQGRXUCJ-RTBURBONSA-N 0 3 306.409 3.474 20 30 DGEDHN COc1ccc([C@@H](CCO)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181911974 323274748 /nfs/dbraw/zinc/27/47/48/323274748.db2.gz DJPJVUZLIYHGKG-IFXJQAMLSA-N 0 3 310.397 3.341 20 30 DGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000183363402 323335026 /nfs/dbraw/zinc/33/50/26/323335026.db2.gz SPJPULAAOUZTBC-HUUCEWRRSA-N 0 3 307.397 3.279 20 30 DGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000183363421 323335632 /nfs/dbraw/zinc/33/56/32/323335632.db2.gz SPJPULAAOUZTBC-LSDHHAIUSA-N 0 3 307.397 3.279 20 30 DGEDHN Cc1cccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000183730139 323346600 /nfs/dbraw/zinc/34/66/00/323346600.db2.gz QUOVIDDHEJAKRP-WMZOPIPTSA-N 0 3 324.424 3.266 20 30 DGEDHN COc1ccc(CN(C)C[C@H](C)c2nccs2)cc1C#N ZINC000183971477 323351611 /nfs/dbraw/zinc/35/16/11/323351611.db2.gz ZBCXJOHPUNRQRW-LBPRGKRZSA-N 0 3 301.415 3.259 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000194551631 323478554 /nfs/dbraw/zinc/47/85/54/323478554.db2.gz JZZXPFKLXOCHMP-IBGZPJMESA-N 0 3 305.381 3.238 20 30 DGEDHN C=C(C)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000181304182 332190057 /nfs/dbraw/zinc/19/00/57/332190057.db2.gz CCWXWNHCENMUNQ-UHFFFAOYSA-N 0 3 301.346 3.300 20 30 DGEDHN C=CCCCCCN(C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000150878998 332197053 /nfs/dbraw/zinc/19/70/53/332197053.db2.gz UFPSXHQJKMJDSE-KRWDZBQOSA-N 0 3 316.445 3.305 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1 ZINC000560855623 332390284 /nfs/dbraw/zinc/39/02/84/332390284.db2.gz RZYOBZKASGYACD-WBVHZDCISA-N 0 3 313.445 3.182 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1CC)C(C)C ZINC000522075933 333072373 /nfs/dbraw/zinc/07/23/73/333072373.db2.gz XACOMRVWKYGJOB-IRXDYDNUSA-N 0 3 307.482 3.269 20 30 DGEDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCC1 ZINC000526056933 333107882 /nfs/dbraw/zinc/10/78/82/333107882.db2.gz QYFHEIZKEDAZDW-WMLDXEAASA-N 0 3 311.429 3.068 20 30 DGEDHN CC#CCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000497208274 333222415 /nfs/dbraw/zinc/22/24/15/333222415.db2.gz JUOIXDZNNGPEHB-GOSISDBHSA-N 0 3 314.429 3.038 20 30 DGEDHN C=C(CC)CN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497290147 333231855 /nfs/dbraw/zinc/23/18/55/333231855.db2.gz SGVOCTOMBYTALH-CYBMUJFWSA-N 0 3 305.422 3.467 20 30 DGEDHN C=CC[C@@H](C(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000188198593 333360279 /nfs/dbraw/zinc/36/02/79/333360279.db2.gz OUCYXODQCCRBFS-GOSISDBHSA-N 0 3 300.446 3.339 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000188410995 333365922 /nfs/dbraw/zinc/36/59/22/333365922.db2.gz WQSONJJPKDZMNX-PKOBYXMFSA-N 0 3 300.446 3.370 20 30 DGEDHN COC[C@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000337187230 333443065 /nfs/dbraw/zinc/44/30/65/333443065.db2.gz PWZUVJIHTRILEM-KRWDZBQOSA-N 0 3 320.408 3.203 20 30 DGEDHN COc1ccccc1O[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000286297052 334152543 /nfs/dbraw/zinc/15/25/43/334152543.db2.gz DEVXCSHXDNWXBN-HNNXBMFYSA-N 0 3 302.418 3.478 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000292930809 334194366 /nfs/dbraw/zinc/19/43/66/334194366.db2.gz YXJPQHCPQIPUOZ-WMLDXEAASA-N 0 3 321.428 3.343 20 30 DGEDHN CN(CCCCC#N)C[C@@H](O)c1ccccc1Br ZINC000295238261 334221151 /nfs/dbraw/zinc/22/11/51/334221151.db2.gz DIENWHRJHRYZBZ-CQSZACIVSA-N 0 3 311.223 3.108 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CCC)CC1 ZINC000520710462 336033560 /nfs/dbraw/zinc/03/35/60/336033560.db2.gz UTTOEECRPNLLJV-RDJZCZTQSA-N 0 3 307.482 3.295 20 30 DGEDHN CC[C@@H](CN(CC)CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000526135093 336230105 /nfs/dbraw/zinc/23/01/05/336230105.db2.gz RNKSXHYHWUSUGX-INIZCTEOSA-N 0 3 313.445 3.065 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCC3(CCCC3)C2)cc1 ZINC000526930790 336274886 /nfs/dbraw/zinc/27/48/86/336274886.db2.gz ZAZQRFHRDHFCHQ-SFHVURJKSA-N 0 3 321.424 3.423 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(CCC#N)CC2)c1 ZINC000582239016 336390249 /nfs/dbraw/zinc/39/02/49/336390249.db2.gz HSEBXVCQCOQAFI-GOSISDBHSA-N 0 3 316.445 3.059 20 30 DGEDHN CCCCCCCC[C@H](O)CCC(=O)N1CCCN(C)CC1 ZINC000375007521 337001400 /nfs/dbraw/zinc/00/14/00/337001400.db2.gz CVCQAFYYXWGBIQ-KRWDZBQOSA-N 0 3 312.498 3.042 20 30 DGEDHN COc1cc2nccc(N3CCC(CC#N)CC3)c2cc1OC ZINC000582712523 337123857 /nfs/dbraw/zinc/12/38/57/337123857.db2.gz TWUNCYQWWRVQML-UHFFFAOYSA-N 0 3 311.385 3.382 20 30 DGEDHN C=CCC[C@H](CO)N[C@H]1CCc2sc(Br)cc21 ZINC000321047706 337187567 /nfs/dbraw/zinc/18/75/67/337187567.db2.gz UTDSWPBPTTWUHN-KOLCDFICSA-N 0 3 316.264 3.415 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cccc(Br)c1F ZINC000321045047 337187285 /nfs/dbraw/zinc/18/72/85/337187285.db2.gz UFENMEBKHYLYRP-NSHDSACASA-N 0 3 302.187 3.005 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398165514 337307876 /nfs/dbraw/zinc/30/78/76/337307876.db2.gz MLLLFAOAXRIDKM-WBVHZDCISA-N 0 3 313.445 3.096 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1sccc1Br ZINC000320321325 337595080 /nfs/dbraw/zinc/59/50/80/337595080.db2.gz XHNYRYLGXGAULR-UWVGGRQHSA-N 0 3 304.253 3.488 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(OC)cc1)C(C)C ZINC000161693972 337595148 /nfs/dbraw/zinc/59/51/48/337595148.db2.gz AJGTVRCPCROSPX-LJQANCHMSA-N 0 3 318.461 3.407 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CC)CC1 ZINC000106264903 337815724 /nfs/dbraw/zinc/81/57/24/337815724.db2.gz IFEIHHVTUXTXKV-RDJZCZTQSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000537059251 337883120 /nfs/dbraw/zinc/88/31/20/337883120.db2.gz XDLWVPBQOSDWOZ-IBGZPJMESA-N 0 3 300.446 3.482 20 30 DGEDHN C=C[C@H](C)NCc1cc(Br)c2c(c1)OCCCO2 ZINC000123201229 337958404 /nfs/dbraw/zinc/95/84/04/337958404.db2.gz RWSXUTZPSMKJIR-JTQLQIEISA-N 0 3 312.207 3.275 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C[C@H](CC)c2ccccc2)C1=O ZINC000499646212 340042101 /nfs/dbraw/zinc/04/21/01/340042101.db2.gz ZRNLHFNIXKLTNO-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000502163939 340096126 /nfs/dbraw/zinc/09/61/26/340096126.db2.gz DRFTUBRYCXRGKQ-AEFFLSMTSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCOc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000506384577 340193884 /nfs/dbraw/zinc/19/38/84/340193884.db2.gz WSERDMXYDVZXRM-UHFFFAOYSA-N 0 3 300.446 3.312 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508883379 340255037 /nfs/dbraw/zinc/25/50/37/340255037.db2.gz VXFKRVCASNKJJN-NVXWUHKLSA-N 0 3 303.450 3.285 20 30 DGEDHN C=CCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1 ZINC000508892123 340255245 /nfs/dbraw/zinc/25/52/45/340255245.db2.gz HWLJTQRBVKAJHZ-YJBOKZPZSA-N 0 3 315.461 3.346 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510552364 340302526 /nfs/dbraw/zinc/30/25/26/340302526.db2.gz QDYXDPMGCTVSGA-VQIMIIECSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000513204458 340396917 /nfs/dbraw/zinc/39/69/17/340396917.db2.gz GIIAXJZPCSAYEN-HNNXBMFYSA-N 0 3 318.436 3.308 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000176598820 340429103 /nfs/dbraw/zinc/42/91/03/340429103.db2.gz AAGKKDSEQUFOTM-DOTOQJQBSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCc1cc(OC)cc(C[NH+]2CCC(CCOC)CC2)c1[O-] ZINC000530096272 340779183 /nfs/dbraw/zinc/77/91/83/340779183.db2.gz KKAKULOCXDGYSX-UHFFFAOYSA-N 0 3 319.445 3.378 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000539443172 340885671 /nfs/dbraw/zinc/88/56/71/340885671.db2.gz LHKSFOOGJQAFRY-HNNXBMFYSA-N 0 3 319.449 3.493 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1C1CC1 ZINC000543210542 341037038 /nfs/dbraw/zinc/03/70/38/341037038.db2.gz WMVKSKYPMDTFJH-AWEZNQCLSA-N 0 3 316.364 3.336 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(F)c2C)CC1 ZINC000072605203 341093305 /nfs/dbraw/zinc/09/33/05/341093305.db2.gz YDJJCPSWUAAJQT-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000133512043 341177022 /nfs/dbraw/zinc/17/70/22/341177022.db2.gz OKIDHKHVHHLKQB-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000079270311 341256123 /nfs/dbraw/zinc/25/61/23/341256123.db2.gz WIXKSJYGRFREID-OAHLLOKOSA-N 0 3 321.490 3.178 20 30 DGEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(SCC#N)c1 ZINC000079532481 341260797 /nfs/dbraw/zinc/26/07/97/341260797.db2.gz XXGHPFXCHLKMBG-HNNXBMFYSA-N 0 3 319.474 3.008 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C(C)(F)F)C(C)C ZINC000551095064 341331509 /nfs/dbraw/zinc/33/15/09/341331509.db2.gz IIZVQRGSFOBEJM-UONOGXRCSA-N 0 3 302.409 3.093 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000246207946 341333706 /nfs/dbraw/zinc/33/37/06/341333706.db2.gz NLMSUWHVWSNTQI-FPCVCCKLSA-N 0 3 321.465 3.304 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000552538209 341398024 /nfs/dbraw/zinc/39/80/24/341398024.db2.gz OZJNQIKOQBDSDS-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN COc1ccc([C@H](CCC#N)NCCNc2cccc(C)n2)cc1 ZINC000556078670 341493554 /nfs/dbraw/zinc/49/35/54/341493554.db2.gz XMGNMBMGVULPGN-SFHVURJKSA-N 0 3 324.428 3.445 20 30 DGEDHN CC(C)CC[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000567042659 341576396 /nfs/dbraw/zinc/57/63/96/341576396.db2.gz PZLSSWXYJKDTRU-INIZCTEOSA-N 0 3 313.363 3.444 20 30 DGEDHN C=CCCC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000155451184 341607823 /nfs/dbraw/zinc/60/78/23/341607823.db2.gz PLNNPKCEPTZAGL-UHFFFAOYSA-N 0 3 302.418 3.456 20 30 DGEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@H](O)c1ccc(F)cc1 ZINC000126998340 533791966 /nfs/dbraw/zinc/79/19/66/533791966.db2.gz KRWBIVJUYNBJDJ-GZUKPKISSA-N 0 3 324.399 3.461 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)Oc1ccccc1 ZINC000433357014 534006538 /nfs/dbraw/zinc/00/65/38/534006538.db2.gz WDEQDDGIRBULOJ-FUHWJXTLSA-N 0 3 322.408 3.343 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 ZINC000182523446 534023105 /nfs/dbraw/zinc/02/31/05/534023105.db2.gz OMBDMUTWDMSCOU-MRXNPFEDSA-N 0 3 313.445 3.097 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1ccccc1C(F)(F)F ZINC000439986790 517767010 /nfs/dbraw/zinc/76/70/10/517767010.db2.gz IRMCPPOPHVXXBW-QWRGUYRKSA-N 0 3 314.307 3.139 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(CN(C)C)c(C)c1)OCC ZINC000458279658 534337439 /nfs/dbraw/zinc/33/74/39/534337439.db2.gz KITUBYFMZWDKOE-KRWDZBQOSA-N 0 3 304.434 3.366 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](OCC)[C@H](C)C2)cc(OC)c1O ZINC000449503008 534414124 /nfs/dbraw/zinc/41/41/24/534414124.db2.gz XFZALPFAGMYDHC-RHSMWYFYSA-N 0 3 319.445 3.376 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000488375721 534468607 /nfs/dbraw/zinc/46/86/07/534468607.db2.gz CFCCEWABMBTDDG-SFHVURJKSA-N 0 3 323.440 3.241 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000458984345 534505983 /nfs/dbraw/zinc/50/59/83/534505983.db2.gz FYOSXOCLCOUREQ-UHFFFAOYSA-N 0 3 321.440 3.111 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000458755665 534513464 /nfs/dbraw/zinc/51/34/64/534513464.db2.gz DFKRWTGOIXDOOQ-ZBFHGGJFSA-N 0 3 303.450 3.189 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449547635 534573546 /nfs/dbraw/zinc/57/35/46/534573546.db2.gz JEEGCFKQYSHLEL-SJORKVTESA-N 0 3 317.429 3.465 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC)c(OCC)c1 ZINC000449546969 534574088 /nfs/dbraw/zinc/57/40/88/534574088.db2.gz GBWKTFMGJDUBFP-CVEARBPZSA-N 0 3 305.418 3.307 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccc(OC)cc2s1 ZINC000449549225 534575355 /nfs/dbraw/zinc/57/53/55/534575355.db2.gz VVRWSVNYSAPGET-OCCSQVGLSA-N 0 3 304.415 3.128 20 30 DGEDHN N#CCCCNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000344320910 534613320 /nfs/dbraw/zinc/61/33/20/534613320.db2.gz DBOLYARQXYTIGD-UHFFFAOYSA-N 0 3 308.307 3.284 20 30 DGEDHN N#CCSCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153279061 534704877 /nfs/dbraw/zinc/70/48/77/534704877.db2.gz VHDGOIZRXIDYCU-UHFFFAOYSA-N 0 3 305.403 3.206 20 30 DGEDHN Cc1csc(C(C)(C)NCCCC2(C#N)CCOCC2)n1 ZINC000282007901 534791731 /nfs/dbraw/zinc/79/17/31/534791731.db2.gz ODDRLWTVBKXUQR-UHFFFAOYSA-N 0 3 307.463 3.377 20 30 DGEDHN Cc1ncsc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000346355869 534798149 /nfs/dbraw/zinc/79/81/49/534798149.db2.gz KZIRLAXFPSGVSX-OAHLLOKOSA-N 0 3 313.426 3.183 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](O)Cc1ccc(F)cc1 ZINC000339078982 526325188 /nfs/dbraw/zinc/32/51/88/526325188.db2.gz NKWUYYSXNWCYCZ-QGZVFWFLSA-N 0 3 303.377 3.053 20 30 DGEDHN C=CCN(CCc1ccco1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000352720407 526325718 /nfs/dbraw/zinc/32/57/18/526325718.db2.gz LNAKIKMNKQHGHK-UHFFFAOYSA-N 0 3 323.396 3.202 20 30 DGEDHN C=CCN(C[C@H](O)COc1ccccc1C(F)(F)F)C1CC1 ZINC000343767643 526330799 /nfs/dbraw/zinc/33/07/99/526330799.db2.gz OLFDAXOVMSMFFN-ZDUSSCGKSA-N 0 3 315.335 3.096 20 30 DGEDHN C=CCN(C[C@@H](O)COc1ccc(/C=C\C)cc1OC)C1CC1 ZINC000357551443 526330916 /nfs/dbraw/zinc/33/09/16/526330916.db2.gz ISGCMVIENYWPQY-XQDHMALISA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355417415 526336650 /nfs/dbraw/zinc/33/66/50/526336650.db2.gz YKQUSHYQCQCXMR-IYBDPMFKSA-N 0 3 316.445 3.083 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345762291 526361157 /nfs/dbraw/zinc/36/11/57/526361157.db2.gz WSUAXCVKFUTMPY-WMLDXEAASA-N 0 3 319.424 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)CCSc2ccc(C)cc2)CC1 ZINC000357582186 526421153 /nfs/dbraw/zinc/42/11/53/526421153.db2.gz PCDJNRBKEZVFRU-UHFFFAOYSA-N 0 3 318.486 3.244 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000413249410 526437292 /nfs/dbraw/zinc/43/72/92/526437292.db2.gz YRBTUAGPGUNCQV-HZPDHXFCSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2cccs2)CC1 ZINC000171721268 526438492 /nfs/dbraw/zinc/43/84/92/526438492.db2.gz VXQLQRBOUNLOMV-CQSZACIVSA-N 0 3 307.463 3.149 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000176321638 526442424 /nfs/dbraw/zinc/44/24/24/526442424.db2.gz JWACFFSYRCOBFJ-AWEZNQCLSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000359418337 526445220 /nfs/dbraw/zinc/44/52/20/526445220.db2.gz URUUTSMJIZQRKY-INIZCTEOSA-N 0 3 316.470 3.033 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000171721634 526445813 /nfs/dbraw/zinc/44/58/13/526445813.db2.gz MCSLZWPHXRLJTB-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN C=CCN1CCC(NC(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000171720449 526449250 /nfs/dbraw/zinc/44/92/50/526449250.db2.gz GHZJCMPXEOBPKK-ZDUSSCGKSA-N 0 3 318.486 3.253 20 30 DGEDHN C=C(C)CCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000351992920 526457428 /nfs/dbraw/zinc/45/74/28/526457428.db2.gz GGOXXQORYGOCKE-ZDUSSCGKSA-N 0 3 310.323 3.469 20 30 DGEDHN C=CCN1CC[C@@H](N(C)CCCSCc2ccccc2)C1=O ZINC000337230807 526469726 /nfs/dbraw/zinc/46/97/26/526469726.db2.gz TVOCACQYOLOLKB-QGZVFWFLSA-N 0 3 318.486 3.029 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@](C)(c3ccccc3)CC2)C1=O ZINC000352209288 526478676 /nfs/dbraw/zinc/47/86/76/526478676.db2.gz ATAWKUPKQKVJMT-UYAOXDASSA-N 0 3 312.457 3.217 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000181380550 526491772 /nfs/dbraw/zinc/49/17/72/526491772.db2.gz HDTAAZULIDSVJW-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C(C)CN(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415958819 526493213 /nfs/dbraw/zinc/49/32/13/526493213.db2.gz XRJUNNWNPPFDCU-UHFFFAOYSA-N 0 3 301.312 3.204 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000181380607 526493356 /nfs/dbraw/zinc/49/33/56/526493356.db2.gz HDTAAZULIDSVJW-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCN1CC[C@H](N(Cc2ccc(OC)cc2)C(C)(C)C)C1=O ZINC000344238539 526504651 /nfs/dbraw/zinc/50/46/51/526504651.db2.gz PTSCQGSLDKWSPL-KRWDZBQOSA-N 0 3 316.445 3.083 20 30 DGEDHN C=C(C)CN(CC)C(=O)CSCCN(C)Cc1ccccc1 ZINC000433045381 526528335 /nfs/dbraw/zinc/52/83/35/526528335.db2.gz FCFIQIGZAIIBKF-UHFFFAOYSA-N 0 3 320.502 3.276 20 30 DGEDHN C=C(C)CN(CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1 ZINC000348244143 526551329 /nfs/dbraw/zinc/55/13/29/526551329.db2.gz SWXZFTABQYUARX-KRWDZBQOSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC(C2CCC2)C2CCC2)CC1 ZINC000344758809 526589017 /nfs/dbraw/zinc/58/90/17/526589017.db2.gz KJYCIMVVVPJLQV-UHFFFAOYSA-N 0 3 319.493 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000413236574 526591258 /nfs/dbraw/zinc/59/12/58/526591258.db2.gz KDOGOXJQZCARQY-FUHWJXTLSA-N 0 3 319.493 3.152 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000416700947 526593187 /nfs/dbraw/zinc/59/31/87/526593187.db2.gz XZBIZNDZTRLFEK-JKSUJKDBSA-N 0 3 307.482 3.151 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)noc2C2CC2)CC1 ZINC000155074964 526596450 /nfs/dbraw/zinc/59/64/50/526596450.db2.gz MQOOEBZMJJDKEG-UHFFFAOYSA-N 0 3 318.421 3.022 20 30 DGEDHN C=C(C)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000428111533 526615609 /nfs/dbraw/zinc/61/56/09/526615609.db2.gz OFJQROUEOUMZBB-HNNXBMFYSA-N 0 3 321.490 3.396 20 30 DGEDHN C=C(C)COCCNCc1ccccc1OCc1ccncc1 ZINC000344953190 526654412 /nfs/dbraw/zinc/65/44/12/526654412.db2.gz DGPGSQDPMVMWOA-UHFFFAOYSA-N 0 3 312.413 3.343 20 30 DGEDHN C#CCCN1CCN([C@@H](C)CCSc2ccccc2)CC1 ZINC000127237218 526728869 /nfs/dbraw/zinc/72/88/69/526728869.db2.gz KPXNVOSGZZCJDP-KRWDZBQOSA-N 0 3 302.487 3.198 20 30 DGEDHN C=C(C)[C@@H](NC[C@@H](O)CCOC(C)C)c1ccc(F)c(F)c1 ZINC000349855355 526757369 /nfs/dbraw/zinc/75/73/69/526757369.db2.gz QFWIXNJNCPTRDK-WMLDXEAASA-N 0 3 313.388 3.348 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000435749760 526801766 /nfs/dbraw/zinc/80/17/66/526801766.db2.gz VNIMEUZAVUADNT-DCGLDWPTSA-N 0 3 306.475 3.339 20 30 DGEDHN C=C(CC)CN[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000341650156 526860723 /nfs/dbraw/zinc/86/07/23/526860723.db2.gz YBLVDUXZRXVQCS-INIZCTEOSA-N 0 3 304.434 3.161 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000353979481 526871042 /nfs/dbraw/zinc/87/10/42/526871042.db2.gz QYGXIDFMEQJXDM-SFHVURJKSA-N 0 3 310.397 3.300 20 30 DGEDHN C=C(CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)c1ccccc1 ZINC000351807261 526873669 /nfs/dbraw/zinc/87/36/69/526873669.db2.gz JFZHJRUVTVVDME-WBVHZDCISA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)cc1 ZINC000184288814 526890602 /nfs/dbraw/zinc/89/06/02/526890602.db2.gz QVSHAEVMYRMMSL-QAJFTPDKSA-N 0 3 315.866 3.236 20 30 DGEDHN C=C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000339987452 526897864 /nfs/dbraw/zinc/89/78/64/526897864.db2.gz VGKASHQHMIVHQJ-QWHCGFSZSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCOc1cccc(CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000135908383 526903142 /nfs/dbraw/zinc/90/31/42/526903142.db2.gz BYHTVWJMNNLGNA-HXUWFJFHSA-N 0 3 309.409 3.175 20 30 DGEDHN C=CCSCCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000338069501 527001066 /nfs/dbraw/zinc/00/10/66/527001066.db2.gz SCBHSCLBITURFA-UHFFFAOYSA-N 0 3 318.486 3.320 20 30 DGEDHN C=CC[C@@H]1N(Cc2ccnn2CCCOC)CCCC1(C)C ZINC000338956187 527119419 /nfs/dbraw/zinc/11/94/19/527119419.db2.gz HRVXZDWERVEETH-KRWDZBQOSA-N 0 3 305.466 3.486 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000342662480 527130825 /nfs/dbraw/zinc/13/08/25/527130825.db2.gz XVHWCQYPXJCANC-WMZOPIPTSA-N 0 3 315.461 3.396 20 30 DGEDHN C#CCSCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180182578 527151026 /nfs/dbraw/zinc/15/10/26/527151026.db2.gz DYKRUTHQYGUZPC-NSHDSACASA-N 0 3 307.850 3.244 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000341893592 527189924 /nfs/dbraw/zinc/18/99/24/527189924.db2.gz YTKMUCYHZXHZBG-HIFRSBDPSA-N 0 3 317.408 3.155 20 30 DGEDHN CC(C)(CO)[C@@H](NCCOc1cccc(C#N)c1)c1ccccc1 ZINC000429713460 527215541 /nfs/dbraw/zinc/21/55/41/527215541.db2.gz VNXCQGGTODFSOB-IBGZPJMESA-N 0 3 324.424 3.286 20 30 DGEDHN C=CCc1cc(CN[C@H](CO)CCC(C)(C)C)cc(OC)c1O ZINC000355730639 527244271 /nfs/dbraw/zinc/24/42/71/527244271.db2.gz MWMMUTTYKLEROA-INIZCTEOSA-N 0 3 321.461 3.406 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C1CCN(CC)CC1)c1ccccc1 ZINC000340120676 527419215 /nfs/dbraw/zinc/41/92/15/527419215.db2.gz YPINRRQZKUNSMG-INIZCTEOSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@@H](CO)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000353575254 527442308 /nfs/dbraw/zinc/44/23/08/527442308.db2.gz KGYWVLRYKMOSRN-STQMWFEESA-N 0 3 302.187 3.176 20 30 DGEDHN C=CCC[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccccc1 ZINC000358401614 527447944 /nfs/dbraw/zinc/44/79/44/527447944.db2.gz NVJSGACEMRYXRI-MRXNPFEDSA-N 0 3 307.459 3.108 20 30 DGEDHN C=CCC[C@@H](NC[C@@H](C(C)C)N1CCOCC1)c1ccco1 ZINC000353453625 527448041 /nfs/dbraw/zinc/44/80/41/527448041.db2.gz FPCTVMVMLPPNFL-SJORKVTESA-N 0 3 306.450 3.233 20 30 DGEDHN C=CCC[C@@H](NC[C@H](C(C)C)N1CCOCC1)c1ccco1 ZINC000353453623 527449761 /nfs/dbraw/zinc/44/97/61/527449761.db2.gz FPCTVMVMLPPNFL-IAGOWNOFSA-N 0 3 306.450 3.233 20 30 DGEDHN CC(C)(C#N)CCCCN1CCN(c2cccc(O)c2)CC1 ZINC000336866876 527460151 /nfs/dbraw/zinc/46/01/51/527460151.db2.gz YESVDRVVDUNXHJ-UHFFFAOYSA-N 0 3 301.434 3.234 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444717809 527461226 /nfs/dbraw/zinc/46/12/26/527461226.db2.gz NJRSRPXLXKDNNG-QWHCGFSZSA-N 0 3 306.372 3.342 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000435761132 527476847 /nfs/dbraw/zinc/47/68/47/527476847.db2.gz MAKDGZJSSLQADG-WMZOPIPTSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000343920487 527480071 /nfs/dbraw/zinc/48/00/71/527480071.db2.gz QCAZWZSPIFJGQG-NXHRZFHOSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ncc(Cl)cc1Cl ZINC000429729560 527574045 /nfs/dbraw/zinc/57/40/45/527574045.db2.gz ZKMQKEBWXIUZGR-UHFFFAOYSA-N 0 3 302.249 3.328 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000344078287 527607311 /nfs/dbraw/zinc/60/73/11/527607311.db2.gz PDLPKPFNMZPJDI-PKOBYXMFSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC[C@H](SCC)C1 ZINC000350897671 527627271 /nfs/dbraw/zinc/62/72/71/527627271.db2.gz SIUOKIXPQPLNJA-CVEARBPZSA-N 0 3 310.507 3.183 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc21)C(C)C ZINC000359299968 527646359 /nfs/dbraw/zinc/64/63/59/527646359.db2.gz UBNABIHPGDCGOK-MOPGFXCFSA-N 0 3 312.457 3.141 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(OC)cs1)C(C)C ZINC000352455657 527647024 /nfs/dbraw/zinc/64/70/24/527647024.db2.gz OQTQSCUCDUOQDA-HNNXBMFYSA-N 0 3 322.474 3.185 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1ccoc1)C(C)C ZINC000339814523 527648362 /nfs/dbraw/zinc/64/83/62/527648362.db2.gz BHWUICXOVCTUSU-QGZVFWFLSA-N 0 3 319.449 3.120 20 30 DGEDHN CC(C)[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000444770523 527775631 /nfs/dbraw/zinc/77/56/31/527775631.db2.gz LPUKJCADPATUPU-INIZCTEOSA-N 0 3 305.466 3.039 20 30 DGEDHN CCC[C@@]1(NCc2cccc(OCCCC#N)c2)CCOC1 ZINC000353013374 527962045 /nfs/dbraw/zinc/96/20/45/527962045.db2.gz AOUANTWCVYUWMU-GOSISDBHSA-N 0 3 302.418 3.418 20 30 DGEDHN CC(C)CSCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428787796 528210757 /nfs/dbraw/zinc/21/07/57/528210757.db2.gz LMWIBUQFCKANQA-MRXNPFEDSA-N 0 3 319.474 3.186 20 30 DGEDHN CCOc1cc2c(cc1CN[C@@H]1CC[C@@H](C#N)C1)O[C@@H](C)C2 ZINC000349830690 528341787 /nfs/dbraw/zinc/34/17/87/528341787.db2.gz QYPSQWWPYNXOLJ-WOSRLPQWSA-N 0 3 300.402 3.191 20 30 DGEDHN CCN(CCC1CC1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000355062241 528427083 /nfs/dbraw/zinc/42/70/83/528427083.db2.gz QEKJUJYJGSDVSE-KOHRHEQBSA-N 0 3 319.493 3.428 20 30 DGEDHN CC(C)n1cnnc1[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000343417733 528645877 /nfs/dbraw/zinc/64/58/77/528645877.db2.gz NVHGWUNJUAAOPQ-SFHVURJKSA-N 0 3 323.444 3.305 20 30 DGEDHN CCN(Cc1ccc(C(=O)NCC2(CC#N)CC2)cc1)C1CC1 ZINC000431132557 528775804 /nfs/dbraw/zinc/77/58/04/528775804.db2.gz MOPQSDLCMFVWLA-UHFFFAOYSA-N 0 3 311.429 3.095 20 30 DGEDHN CCN(Cc1occc1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000412797294 528911426 /nfs/dbraw/zinc/91/14/26/528911426.db2.gz GOACBRAAEPYPGJ-QGZVFWFLSA-N 0 3 321.380 3.191 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000331280256 528933720 /nfs/dbraw/zinc/93/37/20/528933720.db2.gz BJQDVWMFINEVDH-UHFFFAOYSA-N 0 3 320.824 3.033 20 30 DGEDHN CC1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434983148 529010338 /nfs/dbraw/zinc/01/03/38/529010338.db2.gz TVXVFJFXFGXLDM-UHFFFAOYSA-N 0 3 323.444 3.481 20 30 DGEDHN CCC1(CC)CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346491680 529044206 /nfs/dbraw/zinc/04/42/06/529044206.db2.gz HJRTVJZCPREZPS-HNNXBMFYSA-N 0 3 305.466 3.230 20 30 DGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N(CC)CCC#N ZINC000346659258 529181482 /nfs/dbraw/zinc/18/14/82/529181482.db2.gz AIUPZIWUGYPUJV-QGZVFWFLSA-N 0 3 301.434 3.222 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1c(C)nn(CC)c1C ZINC000330775126 529271532 /nfs/dbraw/zinc/27/15/32/529271532.db2.gz YRKDDOGGQYSURV-OAHLLOKOSA-N 0 3 306.454 3.089 20 30 DGEDHN CO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000449505133 536687598 /nfs/dbraw/zinc/68/75/98/536687598.db2.gz QXZAFISFXLHQQM-CRAIPNDOSA-N 0 3 302.418 3.226 20 30 DGEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC000451502755 536796159 /nfs/dbraw/zinc/79/61/59/536796159.db2.gz POBZNSXEYXJPAW-ZIAGYGMSSA-N 0 3 310.344 3.063 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000079008128 545756203 /nfs/dbraw/zinc/75/62/03/545756203.db2.gz HOFMRGDPDCQHJB-SFHVURJKSA-N 0 3 313.445 3.207 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000575431477 547015108 /nfs/dbraw/zinc/01/51/08/547015108.db2.gz WYVHEIYOVIKYID-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000668492429 547468291 /nfs/dbraw/zinc/46/82/91/547468291.db2.gz AKCNSWCMVRQREE-CQSZACIVSA-N 0 3 300.381 3.195 20 30 DGEDHN C=CCOc1cccc(NC(=O)N[C@H](CC)CN2CCCC2)c1 ZINC000674408262 548076234 /nfs/dbraw/zinc/07/62/34/548076234.db2.gz CZLIAXOPVMNELY-OAHLLOKOSA-N 0 3 317.433 3.247 20 30 DGEDHN C=C(CN[C@H](C)CC(=O)N1CCCCCC1)c1ccccc1 ZINC000675782861 548271330 /nfs/dbraw/zinc/27/13/30/548271330.db2.gz ZYUPZINQPPKLAN-QGZVFWFLSA-N 0 3 300.446 3.471 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000678050008 548600587 /nfs/dbraw/zinc/60/05/87/548600587.db2.gz SMFHRIWWIJPIEM-ZBFHGGJFSA-N 0 3 309.837 3.368 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000678050005 548600945 /nfs/dbraw/zinc/60/09/45/548600945.db2.gz SMFHRIWWIJPIEM-GDBMZVCRSA-N 0 3 309.837 3.368 20 30 DGEDHN C=CCOCCNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000679486562 548903551 /nfs/dbraw/zinc/90/35/51/548903551.db2.gz QVINCXJIHWBYCA-UHFFFAOYSA-N 0 3 305.809 3.126 20 30 DGEDHN C=CC[C@H](CO)NCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000680483733 549058357 /nfs/dbraw/zinc/05/83/57/549058357.db2.gz APCXRLDROGVFEM-OAHLLOKOSA-N 0 3 319.836 3.169 20 30 DGEDHN C=CCN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000681791139 549256435 /nfs/dbraw/zinc/25/64/35/549256435.db2.gz KEIDFOYBHZXMGG-QGZVFWFLSA-N 0 3 301.434 3.041 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000731212714 574545544 /nfs/dbraw/zinc/54/55/44/574545544.db2.gz RVDNKVFTSDHHRC-SFHVURJKSA-N 0 3 307.397 3.275 20 30 DGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@H](c4ccco4)C3)n2)cc1 ZINC000732181750 574567413 /nfs/dbraw/zinc/56/74/13/574567413.db2.gz LPZVXULLDDJYGU-KRWDZBQOSA-N 0 3 318.380 3.462 20 30 DGEDHN CC[C@H](c1ccccc1)N(CC(=O)NCCC#N)CC(C)C ZINC000732214346 574568559 /nfs/dbraw/zinc/56/85/59/574568559.db2.gz FKCZBYKTHHTYGD-QGZVFWFLSA-N 0 3 301.434 3.126 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000735206794 574692450 /nfs/dbraw/zinc/69/24/50/574692450.db2.gz NIIZFYPDYZYCJB-BTDICHCPSA-N 0 3 320.776 3.352 20 30 DGEDHN CC(C#N)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000736673156 574802735 /nfs/dbraw/zinc/80/27/35/574802735.db2.gz QMWFKKWLVPZDCN-CQSZACIVSA-N 0 3 313.445 3.229 20 30 DGEDHN COc1ccc(CCNN=C(C)c2ccc(N(C)C)cc2)cc1 ZINC000737440047 574844027 /nfs/dbraw/zinc/84/40/27/574844027.db2.gz AMMGNCAECIKXTC-UHFFFAOYSA-N 0 3 311.429 3.318 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cc3ccccc3s2)CC1 ZINC000740736069 574940704 /nfs/dbraw/zinc/94/07/04/574940704.db2.gz BZLVPAMZHMRPPG-UHFFFAOYSA-N 0 3 312.438 3.119 20 30 DGEDHN Cc1ccc(NC(=S)NN=C2CCN(C)[C@H](C)C2)cc1C ZINC000741458856 574958362 /nfs/dbraw/zinc/95/83/62/574958362.db2.gz XKLOPXGCDNBMRX-CYBMUJFWSA-N 0 3 304.463 3.060 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2cc(C)ccc2F)[C@H](C)C1 ZINC000741459321 574958298 /nfs/dbraw/zinc/95/82/98/574958298.db2.gz AKORNXOENXGQJJ-GFCCVEGCSA-N 0 3 322.453 3.138 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2cccc(C)c2C)[C@H](C)C1 ZINC000741453582 574958390 /nfs/dbraw/zinc/95/83/90/574958390.db2.gz TUCUIDPVKUGFEB-CYBMUJFWSA-N 0 3 318.490 3.308 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000741458818 574958451 /nfs/dbraw/zinc/95/84/51/574958451.db2.gz YHQGNJVKJUPTCV-NSHDSACASA-N 0 3 324.881 3.344 20 30 DGEDHN C[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CC[N@@H+]1C ZINC000741465376 574958554 /nfs/dbraw/zinc/95/85/54/574958554.db2.gz VBDQLOPVAYKJAA-WVRUFHCLSA-N 0 3 311.223 3.056 20 30 DGEDHN C[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CC[N@H+]1C ZINC000741465376 574958555 /nfs/dbraw/zinc/95/85/55/574958555.db2.gz VBDQLOPVAYKJAA-WVRUFHCLSA-N 0 3 311.223 3.056 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000741579564 574963392 /nfs/dbraw/zinc/96/33/92/574963392.db2.gz NQJGARKZRJYSNR-SJORKVTESA-N 0 3 312.498 3.162 20 30 DGEDHN Cc1nc(C)c(CNCc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000742377015 574994129 /nfs/dbraw/zinc/99/41/29/574994129.db2.gz LJJAXDFTZMAVME-NSHDSACASA-N 0 3 301.415 3.341 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(Br)cc2F)o1 ZINC000742369862 574993047 /nfs/dbraw/zinc/99/30/47/574993047.db2.gz HLLIPYWEWSAPAR-UHFFFAOYSA-N 0 3 323.165 3.385 20 30 DGEDHN CN(C)CCOc1ccc(CN=Nc2cccc(F)c2F)cc1 ZINC000743441669 575051752 /nfs/dbraw/zinc/05/17/52/575051752.db2.gz MBBOJENDCXHCTI-UHFFFAOYSA-N 0 3 319.355 3.351 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000743492160 575054391 /nfs/dbraw/zinc/05/43/91/575054391.db2.gz QSOVDCUBIGAFEX-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000743491505 575054534 /nfs/dbraw/zinc/05/45/34/575054534.db2.gz IRRXUQKDMDCXQW-KRWDZBQOSA-N 0 3 312.457 3.093 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000743493370 575054604 /nfs/dbraw/zinc/05/46/04/575054604.db2.gz QAUJQKPAPLPAGE-UHFFFAOYSA-N 0 3 323.440 3.002 20 30 DGEDHN CN(CCCOc1ccc(C#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000743856403 575065824 /nfs/dbraw/zinc/06/58/24/575065824.db2.gz JLQLBJCVZRKJDM-FQEVSTJZSA-N 0 3 324.424 3.383 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000744022423 575068826 /nfs/dbraw/zinc/06/88/26/575068826.db2.gz OXQXTQYWWIMQMH-UONOGXRCSA-N 0 3 304.390 3.097 20 30 DGEDHN CCC/C(C)=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000744093583 575071955 /nfs/dbraw/zinc/07/19/55/575071955.db2.gz VMAJGXPTDONWOK-FOWTUZBSSA-N 0 3 313.445 3.195 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3Cc4ccccc43)nc21 ZINC000744159536 575075417 /nfs/dbraw/zinc/07/54/17/575075417.db2.gz DOYVYDCLZNPLAG-LSDHHAIUSA-N 0 3 301.349 3.388 20 30 DGEDHN C#CCN(CCC(=O)N1CCC[C@H]1C)[C@H]1CCc2ccccc21 ZINC000744387461 575339538 /nfs/dbraw/zinc/33/95/38/575339538.db2.gz AONKCXGVTQRYEM-APWZRJJASA-N 0 3 310.441 3.010 20 30 DGEDHN CC[C@@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000744937438 575365329 /nfs/dbraw/zinc/36/53/29/575365329.db2.gz DSHNNKHQORDSMW-JOYOIKCWSA-N 0 3 307.300 3.033 20 30 DGEDHN Cc1ccccc1[C@@H](CO)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000747100153 575496335 /nfs/dbraw/zinc/49/63/35/575496335.db2.gz BDQOPMDQIYXKOQ-DNVCBOLYSA-N 0 3 310.397 3.109 20 30 DGEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000747204313 575505389 /nfs/dbraw/zinc/50/53/89/575505389.db2.gz HEOJOUCXZWVZTP-CABZTGNLSA-N 0 3 310.806 3.129 20 30 DGEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(OCC#N)cc1 ZINC000749460612 575658146 /nfs/dbraw/zinc/65/81/46/575658146.db2.gz OLPWIYZTSVDBKB-FOIQADDNSA-N 0 3 322.408 3.413 20 30 DGEDHN CCN(Cc1ccccc1)c1ccc(C=NN[C@H](C)CO)cc1 ZINC000749814729 575680460 /nfs/dbraw/zinc/68/04/60/575680460.db2.gz QZVGHOCWWAUAOE-MRXNPFEDSA-N 0 3 311.429 3.017 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000750259890 575714480 /nfs/dbraw/zinc/71/44/80/575714480.db2.gz AGWUHPKUYBUYNZ-KBPBESRZSA-N 0 3 320.820 3.101 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccccc1Br)C1CCCC1 ZINC000752004232 575817685 /nfs/dbraw/zinc/81/76/85/575817685.db2.gz WWUROQVRLJLXGP-MRXNPFEDSA-N 0 3 322.246 3.360 20 30 DGEDHN C#Cc1cccc(NC(=S)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000726475832 576027561 /nfs/dbraw/zinc/02/75/61/576027561.db2.gz RUGSGEWYEWECTB-GJZGRUSLSA-N 0 3 315.486 3.075 20 30 DGEDHN CCCCCCCOc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1 ZINC000726797802 576042602 /nfs/dbraw/zinc/04/26/02/576042602.db2.gz YSWCDOAQKXCKHQ-KRWDZBQOSA-N 0 3 318.461 3.356 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC000727953697 576155497 /nfs/dbraw/zinc/15/54/97/576155497.db2.gz MYFARYOLOJTQLE-RHSMWYFYSA-N 0 3 314.429 3.368 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)COCC(F)(F)F)cc1 ZINC000728711505 576197190 /nfs/dbraw/zinc/19/71/90/576197190.db2.gz BERDASYKDHNIJI-VXGBXAGGSA-N 0 3 316.323 3.034 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCCN2Cc3ccccc3C2)cc1 ZINC000728712235 576197360 /nfs/dbraw/zinc/19/73/60/576197360.db2.gz ZSEZGSLOFGCHTE-MRXNPFEDSA-N 0 3 321.424 3.083 20 30 DGEDHN C[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916622577 620639693 /nfs/dbraw/zinc/63/96/93/620639693.db2.gz AQDHOCRITMOCSB-QWHCGFSZSA-N 0 3 313.426 3.347 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000916877736 620648942 /nfs/dbraw/zinc/64/89/42/620648942.db2.gz WONFUSBXSKANLA-RBSFLKMASA-N 0 3 304.434 3.240 20 30 DGEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1(C)C ZINC000916887740 620649247 /nfs/dbraw/zinc/64/92/47/620649247.db2.gz YDCLNSHMYBJBMJ-GVDBMIGSSA-N 0 3 324.424 3.250 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@@H](c1ccc(F)cc1)N(C)C ZINC000917557463 620675802 /nfs/dbraw/zinc/67/58/02/620675802.db2.gz NJFQGPBUNIBESK-VBNMEBLOSA-N 0 3 316.376 3.262 20 30 DGEDHN COCCCCCNCc1cc(C#N)ccc1Br ZINC000921625965 620917680 /nfs/dbraw/zinc/91/76/80/620917680.db2.gz UEEPEPNXAAVPCV-UHFFFAOYSA-N 0 3 311.223 3.227 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000918485164 620708811 /nfs/dbraw/zinc/70/88/11/620708811.db2.gz CKWCXEGDZIDKGB-BBRMVZONSA-N 0 3 318.392 3.335 20 30 DGEDHN C#CCN(C[C@H](O)COc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000918739380 620723414 /nfs/dbraw/zinc/72/34/14/620723414.db2.gz NLNOGUUWVWATDA-GHTZIAJQSA-N 0 3 321.420 3.049 20 30 DGEDHN C#CC[C@H](CCOC)NCc1sc(C)cc1Br ZINC000858333743 617605744 /nfs/dbraw/zinc/60/57/44/617605744.db2.gz AAKIYSITZVHVOX-LLVKDONJSA-N 0 3 316.264 3.337 20 30 DGEDHN C=CCCCN(CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000890814466 617684662 /nfs/dbraw/zinc/68/46/62/617684662.db2.gz RRPPZKNDXGYXGN-GOSISDBHSA-N 0 3 315.461 3.108 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248029 617759690 /nfs/dbraw/zinc/75/96/90/617759690.db2.gz KGPXFGJRNDLCDK-IEBWSBKVSA-N 0 3 317.477 3.074 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247860 617759766 /nfs/dbraw/zinc/75/97/66/617759766.db2.gz VTKKZQYHYGXADG-KRWDZBQOSA-N 0 3 317.477 3.074 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248028 617759808 /nfs/dbraw/zinc/75/98/08/617759808.db2.gz KGPXFGJRNDLCDK-HKUYNNGSSA-N 0 3 317.477 3.074 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248859 617760395 /nfs/dbraw/zinc/76/03/95/617760395.db2.gz NRFSUMYVALTIGP-KRWDZBQOSA-N 0 3 317.477 3.074 20 30 DGEDHN CCCCCCCN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126801 620771357 /nfs/dbraw/zinc/77/13/57/620771357.db2.gz CRXWKXNNMCMAHD-UHFFFAOYSA-N 0 3 313.449 3.206 20 30 DGEDHN C=CCN1CCC(Nc2cc(Br)cc(C)n2)CC1 ZINC000892397609 618055990 /nfs/dbraw/zinc/05/59/90/618055990.db2.gz ZPCAICCBOMJXQM-UHFFFAOYSA-N 0 3 310.239 3.215 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892466069 618072696 /nfs/dbraw/zinc/07/26/96/618072696.db2.gz XLZOEUTYFNFORV-JALIKCBVSA-N 0 3 322.474 3.066 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCc2sccc2C1=O)c1ccccn1 ZINC000892481649 618077912 /nfs/dbraw/zinc/07/79/12/618077912.db2.gz REMSVABYIMEJMH-DGCLKSJQSA-N 0 3 310.378 3.155 20 30 DGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)CC1 ZINC000892491286 618080714 /nfs/dbraw/zinc/08/07/14/618080714.db2.gz IAMKIAJUQSXPAJ-MRXNPFEDSA-N 0 3 312.369 3.089 20 30 DGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2OC)CC1 ZINC000892496632 618082388 /nfs/dbraw/zinc/08/23/88/618082388.db2.gz PVISWWJNCZVESV-CQSZACIVSA-N 0 3 312.369 3.089 20 30 DGEDHN COc1cc(CNCc2cc(C)nc3c2CCCC3)ccc1C#N ZINC000894542777 618378445 /nfs/dbraw/zinc/37/84/45/618378445.db2.gz SLLNEVCFBPHKIG-UHFFFAOYSA-N 0 3 321.424 3.439 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000894750182 618445611 /nfs/dbraw/zinc/44/56/11/618445611.db2.gz GYMXTUBXLORONO-RDJZCZTQSA-N 0 3 301.434 3.039 20 30 DGEDHN C#C[C@@H](NC[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870049 618483897 /nfs/dbraw/zinc/48/38/97/618483897.db2.gz HQSNSAXNDDDYRL-SWLSCSKDSA-N 0 3 308.219 3.140 20 30 DGEDHN COc1ccc([C@H](OC)[C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000893296952 618501800 /nfs/dbraw/zinc/50/18/00/618501800.db2.gz GPQSKGDAWJCNTK-OXQOHEQNSA-N 0 3 309.409 3.413 20 30 DGEDHN O=C1[C@@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CCCN1[O-] ZINC000895157689 618557594 /nfs/dbraw/zinc/55/75/94/618557594.db2.gz DRAKJLMSCCGNBO-CVEARBPZSA-N 0 3 320.820 3.246 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895338194 618597951 /nfs/dbraw/zinc/59/79/51/618597951.db2.gz PAHOFEGGBIRBFK-GFCCVEGCSA-N 0 3 306.362 3.097 20 30 DGEDHN C#C[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000893657368 618633346 /nfs/dbraw/zinc/63/33/46/618633346.db2.gz RGJDDARTWSMBCY-QGZVFWFLSA-N 0 3 317.816 3.432 20 30 DGEDHN C[C@H](CC#N)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000893658503 618633549 /nfs/dbraw/zinc/63/35/49/618633549.db2.gz DVBRQFHOEWQGFI-AEFFLSMTSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCCN(C)Cc1ccc(Br)cc1NC(C)=O ZINC000893930218 618678189 /nfs/dbraw/zinc/67/81/89/618678189.db2.gz VHMQGPQYGFVIKE-UHFFFAOYSA-N 0 3 311.223 3.415 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2csc(C#N)c2)C1 ZINC000894068365 618704005 /nfs/dbraw/zinc/70/40/05/618704005.db2.gz VDQPRERUJYLPEN-INIZCTEOSA-N 0 3 306.431 3.031 20 30 DGEDHN C#CCC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000895674836 618814631 /nfs/dbraw/zinc/81/46/31/618814631.db2.gz GAZJQANJULNNEM-UHFFFAOYSA-N 0 3 321.420 3.409 20 30 DGEDHN C#CCC1(O)CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000895675048 618814708 /nfs/dbraw/zinc/81/47/08/618814708.db2.gz LASBKJUBIPAXIV-UHFFFAOYSA-N 0 3 313.441 3.358 20 30 DGEDHN C=CCC1(O)CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000895835414 618839690 /nfs/dbraw/zinc/83/96/90/618839690.db2.gz DZOIXJPGSLCYTG-UHFFFAOYSA-N 0 3 317.458 3.052 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000895835908 618840335 /nfs/dbraw/zinc/84/03/35/618840335.db2.gz QATUIDNTKGKRMV-UHFFFAOYSA-N 0 3 301.430 3.303 20 30 DGEDHN CO[C@]12CCC[C@@]1(NCc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000896411923 618909172 /nfs/dbraw/zinc/90/91/72/618909172.db2.gz KATZYSUAKDOKAR-MOPGFXCFSA-N 0 3 314.429 3.263 20 30 DGEDHN COc1ccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)cc1C ZINC000897417593 619108590 /nfs/dbraw/zinc/10/85/90/619108590.db2.gz SCTDSKUXZUODNZ-CQSZACIVSA-N 0 3 320.396 3.374 20 30 DGEDHN C#CCCOc1ccc(CNCc2c(C)nc3ccccn32)cc1 ZINC000898276333 619231399 /nfs/dbraw/zinc/23/13/99/619231399.db2.gz NEPVMMBUUKXITI-UHFFFAOYSA-N 0 3 319.408 3.335 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929165448 619241598 /nfs/dbraw/zinc/24/15/98/619241598.db2.gz WOEBLNNEAYBFLU-HUUCEWRRSA-N 0 3 312.335 3.490 20 30 DGEDHN C[C@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(C#N)cc1F ZINC000926964328 619253419 /nfs/dbraw/zinc/25/34/19/619253419.db2.gz RIFBIAICYMWUHS-HZMBPMFUSA-N 0 3 317.330 3.231 20 30 DGEDHN C=CC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000898457313 619276804 /nfs/dbraw/zinc/27/68/04/619276804.db2.gz MSNWDSIRKXUDAN-UHFFFAOYSA-N 0 3 300.196 3.218 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899047686 619309677 /nfs/dbraw/zinc/30/96/77/619309677.db2.gz RGTJCPOAQBUXRK-UHFFFAOYSA-N 0 3 320.824 3.252 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC000901691571 619534323 /nfs/dbraw/zinc/53/43/23/619534323.db2.gz AEOBEGDEVFULKL-UAGQMJEPSA-N 0 3 308.466 3.039 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)Cn1cc(OC)c(=O)cc1C ZINC000902244550 619609638 /nfs/dbraw/zinc/60/96/38/619609638.db2.gz HXPXEBHFZMDDQP-UHFFFAOYSA-N 0 3 312.413 3.201 20 30 DGEDHN CCc1ccc([C@@H](CN[C@H](C)c2cc(C#N)ccn2)N(C)C)cc1 ZINC000902720697 619665684 /nfs/dbraw/zinc/66/56/84/619665684.db2.gz MMCYALMOUVDKEY-FOIQADDNSA-N 0 3 322.456 3.469 20 30 DGEDHN CCN(CCN[C@@H](C)c1cc(C#N)ccn1)c1ccccc1C ZINC000902747086 619669335 /nfs/dbraw/zinc/66/93/35/619669335.db2.gz BZQMXSDXTXOJEK-INIZCTEOSA-N 0 3 308.429 3.439 20 30 DGEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cc(C#N)ccn1 ZINC000902767546 619672978 /nfs/dbraw/zinc/67/29/78/619672978.db2.gz HZSHQZMVFYZZOQ-CQSZACIVSA-N 0 3 322.437 3.409 20 30 DGEDHN COc1ccc(O[C@H](C)CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902820301 619679182 /nfs/dbraw/zinc/67/91/82/619679182.db2.gz ASUCYTKYELADPJ-ZIAGYGMSSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@H](C[C@@H](O)c1cccs1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902848948 619683806 /nfs/dbraw/zinc/68/38/06/619683806.db2.gz ZDNXZJFNQMWLTE-LALPHHSUSA-N 0 3 301.415 3.178 20 30 DGEDHN C[C@H](N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000903039172 619705603 /nfs/dbraw/zinc/70/56/03/619705603.db2.gz ROFUMSKXMVVCIO-AEGPPILISA-N 0 3 315.417 3.114 20 30 DGEDHN C[C@H](NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(C#N)ccn1 ZINC000903051702 619711074 /nfs/dbraw/zinc/71/10/74/619711074.db2.gz VRHARJMYZKNXMR-WBAXXEDZSA-N 0 3 307.397 3.177 20 30 DGEDHN CC[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(C#N)c1 ZINC000903051303 619711104 /nfs/dbraw/zinc/71/11/04/619711104.db2.gz IISHDYNPEIOILL-OAGGEKHMSA-N 0 3 306.356 3.413 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2cc(N(C)C)ccn2)cc1 ZINC000903201238 619735284 /nfs/dbraw/zinc/73/52/84/619735284.db2.gz GQZMXVXOIPYWEB-HNNXBMFYSA-N 0 3 309.413 3.010 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H]1C(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903396193 619767438 /nfs/dbraw/zinc/76/74/38/619767438.db2.gz KKVKHWRGTORCMM-AEGPPILISA-N 0 3 315.417 3.114 20 30 DGEDHN CC1/C(=C\c2ccc(OCC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905079883 619967895 /nfs/dbraw/zinc/96/78/95/619967895.db2.gz GNJWIFFFSLNGIZ-TZZQWBKVSA-N 0 3 323.274 3.060 20 30 DGEDHN Cc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1OC(F)F ZINC000905083503 619968297 /nfs/dbraw/zinc/96/82/97/619968297.db2.gz DXNDAXQYNCVMEG-ISAHRAOESA-N 0 3 305.284 3.029 20 30 DGEDHN Cc1ccc(OC(F)F)c(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905081149 619968459 /nfs/dbraw/zinc/96/84/59/619968459.db2.gz PGNZRYRTZMPVJY-ISAHRAOESA-N 0 3 305.284 3.029 20 30 DGEDHN COCc1ccccc1/C=C(C)/C=C1\C(=O)c2ncnn2C1C ZINC000905085103 619968658 /nfs/dbraw/zinc/96/86/58/619968658.db2.gz MDUAUGVDTMBIKA-VQKIWRICSA-N 0 3 309.369 3.212 20 30 DGEDHN CC1/C(=C\c2ccccc2CC(F)(F)F)C(=O)c2ncnn21 ZINC000905085846 619968731 /nfs/dbraw/zinc/96/87/31/619968731.db2.gz PMEFFORRHNDMKZ-TZZQWBKVSA-N 0 3 307.275 3.224 20 30 DGEDHN C=CC[C@H](NC[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccncc1 ZINC000905121083 619973120 /nfs/dbraw/zinc/97/31/20/619973120.db2.gz KHQDQLIBAQJKBN-NWDGAFQWSA-N 0 3 324.293 3.237 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Br)cc1C ZINC000912012929 620359559 /nfs/dbraw/zinc/35/95/59/620359559.db2.gz JWWNCNQBYUCEDI-LBPRGKRZSA-N 0 3 311.223 3.380 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000912055958 620360731 /nfs/dbraw/zinc/36/07/31/620360731.db2.gz JLTSCCMYZUPTSF-CQSZACIVSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000912213817 620373546 /nfs/dbraw/zinc/37/35/46/620373546.db2.gz GPQODFBHYPZGDK-LBPRGKRZSA-N 0 3 302.296 3.207 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Br)ccc1F ZINC000912269191 620375604 /nfs/dbraw/zinc/37/56/04/620375604.db2.gz BRYQARTWDARJHB-NSHDSACASA-N 0 3 315.186 3.210 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000912300499 620377685 /nfs/dbraw/zinc/37/76/85/620377685.db2.gz HHCDIAPQGRTRIS-OAHLLOKOSA-N 0 3 319.449 3.110 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1CC(F)(F)C1 ZINC000753803549 620463385 /nfs/dbraw/zinc/46/33/85/620463385.db2.gz URQRBKDZJPVQAA-VIFPVBQESA-N 0 3 312.703 3.033 20 30 DGEDHN C#CCOc1ccc(CN[C@@H]2CCc3c2cccc3OC)cc1 ZINC000151909948 620480619 /nfs/dbraw/zinc/48/06/19/620480619.db2.gz JJPPOZCVYZOHHV-LJQANCHMSA-N 0 3 307.393 3.484 20 30 DGEDHN CN(C)c1ccc(/C=C\C=NNCCC(=O)OC(C)(C)C)cc1 ZINC000834968931 620545956 /nfs/dbraw/zinc/54/59/56/620545956.db2.gz OTQAGRTWOCWFSY-NORWICTASA-N 0 3 317.433 3.073 20 30 DGEDHN C(=NNCCN1CCCCC1)c1ccc(N2CCCCC2)s1 ZINC000915974616 620610416 /nfs/dbraw/zinc/61/04/16/620610416.db2.gz JJSRYCCVNIWMPG-UHFFFAOYSA-N 0 3 320.506 3.148 20 30 DGEDHN CN(C)[C@@H](CNC(=S)Nc1ccccc1C#N)c1ccccc1 ZINC000915995029 620612054 /nfs/dbraw/zinc/61/20/54/620612054.db2.gz CCVKETTVWHFMIG-KRWDZBQOSA-N 0 3 324.453 3.148 20 30 DGEDHN C#CCN(C(=O)N[C@@H](CCC)CCCC)C1CCN(C)CC1 ZINC000921324274 620849833 /nfs/dbraw/zinc/84/98/33/620849833.db2.gz WFMOUARGDMHUPT-INIZCTEOSA-N 0 3 307.482 3.084 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000113324446 620904211 /nfs/dbraw/zinc/90/42/11/620904211.db2.gz JKWKWKHCOXUDET-CQSZACIVSA-N 0 3 310.353 3.458 20 30 DGEDHN N#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CCCC1 ZINC000921541599 620905057 /nfs/dbraw/zinc/90/50/57/620905057.db2.gz NSZJDAMZKZJQFU-SFHVURJKSA-N 0 3 311.429 3.095 20 30 DGEDHN C[C@H](COc1ccc(F)cc1F)NCc1csc(C#N)c1 ZINC000921591692 620911465 /nfs/dbraw/zinc/91/14/65/620911465.db2.gz XGKSUCYEABKUKU-SNVBAGLBSA-N 0 3 308.353 3.455 20 30 DGEDHN CN(C)[C@H](CNCc1csc(C#N)c1)c1c(F)cccc1F ZINC000921745156 620943553 /nfs/dbraw/zinc/94/35/53/620943553.db2.gz IXQYTUVCKZUUAH-OAHLLOKOSA-N 0 3 321.396 3.290 20 30 DGEDHN CC1(O)CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921819437 620954805 /nfs/dbraw/zinc/95/48/05/620954805.db2.gz ZGAXSGSIWZKEJT-UHFFFAOYSA-N 0 3 323.234 3.104 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1csc(C#N)c1 ZINC000922077418 620985998 /nfs/dbraw/zinc/98/59/98/620985998.db2.gz PQKOYUSAYDRSRO-GFCCVEGCSA-N 0 3 323.462 3.355 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCCOC(F)F)c1 ZINC000922108740 620989997 /nfs/dbraw/zinc/98/99/97/620989997.db2.gz KFSNJJGUJHENJT-UHFFFAOYSA-N 0 3 319.149 3.040 20 30 DGEDHN Cn1nc2c(c1CN[C@@H](CCCC#N)c1ccccc1)CCC2 ZINC000922144159 620995586 /nfs/dbraw/zinc/99/55/86/620995586.db2.gz CQRRPZFFQGPFDR-KRWDZBQOSA-N 0 3 308.429 3.434 20 30 DGEDHN C=CCSCCN[C@H](C)c1cccc(Br)n1 ZINC000925351227 620997020 /nfs/dbraw/zinc/99/70/20/620997020.db2.gz KUVQZTHVUPDLMD-SNVBAGLBSA-N 0 3 301.253 3.414 20 30 DGEDHN C[C@@H]1C[C@H](NCc2cc(C#N)ccc2Br)CS1 ZINC000922182043 621002212 /nfs/dbraw/zinc/00/22/12/621002212.db2.gz DVTKLYUCPGYVOB-SKDRFNHKSA-N 0 3 311.248 3.304 20 30 DGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1nc2ccccc2s1 ZINC000856737001 621014118 /nfs/dbraw/zinc/01/41/18/621014118.db2.gz QFKVAXXTUZRQIQ-VXGBXAGGSA-N 0 3 303.431 3.248 20 30 DGEDHN COc1cccc([C@H](CNCc2csc(C#N)c2)OC)c1 ZINC000922282308 621016847 /nfs/dbraw/zinc/01/68/47/621016847.db2.gz RUMULTFITLCGRP-INIZCTEOSA-N 0 3 302.399 3.106 20 30 DGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114620768 621024539 /nfs/dbraw/zinc/02/45/39/621024539.db2.gz AMZZFKPNXLUNHV-ONGXEEELSA-N 0 3 303.412 3.133 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc3c(c2)ncn3C)cc1 ZINC000922480983 621042050 /nfs/dbraw/zinc/04/20/50/621042050.db2.gz KONZPUJUCKPVEK-UHFFFAOYSA-N 0 3 319.408 3.265 20 30 DGEDHN CN(C)c1ccnc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000922478875 621043658 /nfs/dbraw/zinc/04/36/58/621043658.db2.gz JVCNRCNNWZGRFE-UHFFFAOYSA-N 0 3 308.429 3.239 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2ccnn2CCc2ccccc2)C1 ZINC000857049004 621050576 /nfs/dbraw/zinc/05/05/76/621050576.db2.gz FFKAFHJTIXVOGV-IBGZPJMESA-N 0 3 307.441 3.361 20 30 DGEDHN C[C@@]1(CNCc2cc(C#N)ccc2Br)CCCCO1 ZINC000922817400 621104555 /nfs/dbraw/zinc/10/45/55/621104555.db2.gz NKWZANVRALCQFO-HNNXBMFYSA-N 0 3 323.234 3.370 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858022982 621146293 /nfs/dbraw/zinc/14/62/93/621146293.db2.gz DHSLBRVSWNZAQZ-FHLIZLRMSA-N 0 3 311.429 3.494 20 30 DGEDHN C=CC[C@H]1CCN(C[C@H](O)c2ccccc2Br)C1 ZINC000859446444 621278724 /nfs/dbraw/zinc/27/87/24/621278724.db2.gz ZYSSWNWROCBNSQ-WFASDCNBSA-N 0 3 310.235 3.381 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000838786650 621280609 /nfs/dbraw/zinc/28/06/09/621280609.db2.gz KBKMOZXSYWIPKW-AAEUAGOBSA-N 0 3 308.328 3.324 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000838786652 621280712 /nfs/dbraw/zinc/28/07/12/621280712.db2.gz KBKMOZXSYWIPKW-WCQYABFASA-N 0 3 308.328 3.324 20 30 DGEDHN C[C@@H]1CN(c2ccccc2CNCc2ccc(C#N)cc2)CCO1 ZINC000838903786 621296413 /nfs/dbraw/zinc/29/64/13/621296413.db2.gz BYMZORGGWYNNQM-MRXNPFEDSA-N 0 3 321.424 3.073 20 30 DGEDHN CCC#C[C@H](C)N1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860137474 621370262 /nfs/dbraw/zinc/37/02/62/621370262.db2.gz GMCZJIQTLUKSEN-HNAYVOBHSA-N 0 3 301.430 3.243 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H](C)C(F)(F)F)c1 ZINC000860469421 621408630 /nfs/dbraw/zinc/40/86/30/621408630.db2.gz QSTYYAJJLFZEJZ-JQWIXIFHSA-N 0 3 312.291 3.231 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3ccco3)nc21 ZINC000860555209 621417102 /nfs/dbraw/zinc/41/71/02/621417102.db2.gz GIXIXLIXLGEBHK-JHJVBQTASA-N 0 3 305.337 3.444 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@H](OC)C2(C)C)c([O-])c1 ZINC000753139880 621427568 /nfs/dbraw/zinc/42/75/68/621427568.db2.gz XLKXDHGZDKZAHI-AKLVUOHOSA-N 0 3 304.434 3.471 20 30 DGEDHN Cc1sc2ncnc(N=NC3C[C@H](C)N(C4CC4)C3)c2c1C ZINC000753955413 621474130 /nfs/dbraw/zinc/47/41/30/621474130.db2.gz MTLQURWWZYEUAT-VIFPVBQESA-N 0 3 315.446 3.333 20 30 DGEDHN CC(C)N1CC(N=Nc2ncccc2C(F)(F)F)[C@H](C)C1 ZINC000754256461 621499252 /nfs/dbraw/zinc/49/92/52/621499252.db2.gz BZLPFCFQSLWVRP-SNVBAGLBSA-N 0 3 300.328 3.228 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000754678010 621524067 /nfs/dbraw/zinc/52/40/67/621524067.db2.gz YXILYQZNUADTJA-UONOGXRCSA-N 0 3 319.474 3.438 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861719422 621534410 /nfs/dbraw/zinc/53/44/10/621534410.db2.gz HYXAJIUFYHVDKJ-KSZLIROESA-N 0 3 324.509 3.041 20 30 DGEDHN Cc1sc2ncnc(N=NC3CN(C4CC4)C[C@@H]3C)c2c1C ZINC000755882245 621599473 /nfs/dbraw/zinc/59/94/73/621599473.db2.gz ZFDNZMNPSSCSHJ-VIFPVBQESA-N 0 3 315.446 3.190 20 30 DGEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2ccccc2F)cc1 ZINC000756097196 621614823 /nfs/dbraw/zinc/61/48/23/621614823.db2.gz TVDUHDSGFIINQD-UHFFFAOYSA-N 0 3 306.344 3.377 20 30 DGEDHN CCOc1cccc(C=NNc2ccnc(C)c2)c1OC(F)F ZINC000863158476 621643006 /nfs/dbraw/zinc/64/30/06/621643006.db2.gz CUQKBOPIUIIBEX-UHFFFAOYSA-N 0 3 321.327 3.258 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000863373946 621668103 /nfs/dbraw/zinc/66/81/03/621668103.db2.gz HFZJPEMUXWXUNJ-AZUAARDMSA-N 0 3 324.468 3.144 20 30 DGEDHN C#CCN(C)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000839577142 621695927 /nfs/dbraw/zinc/69/59/27/621695927.db2.gz BDDNZTAEVMMOBQ-UHFFFAOYSA-N 0 3 322.408 3.159 20 30 DGEDHN C#CC[C@H](NC(=O)CN(C)CCCCCC)c1ccccc1 ZINC000757615664 621728845 /nfs/dbraw/zinc/72/88/45/621728845.db2.gz WANMDUCWCLVEJX-SFHVURJKSA-N 0 3 300.446 3.379 20 30 DGEDHN COc1ccc(N=NC(C)c2ccc(N)cc2C)c([N+](=O)[O-])c1 ZINC000758116567 621758634 /nfs/dbraw/zinc/75/86/34/621758634.db2.gz GRCHUPCGOIBOLA-UHFFFAOYSA-N 0 3 314.345 3.330 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000864345582 621758904 /nfs/dbraw/zinc/75/89/04/621758904.db2.gz AIMCVYKKVCMJRZ-KQPQFXLJSA-N 0 3 302.418 3.225 20 30 DGEDHN C#CCCCCN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000758473464 621784498 /nfs/dbraw/zinc/78/44/98/621784498.db2.gz JMYYKPWCRANEPQ-HXUWFJFHSA-N 0 3 320.436 3.437 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cnccc2N(C)C)c1 ZINC000759153811 621830282 /nfs/dbraw/zinc/83/02/82/621830282.db2.gz MNYAGEOCRJBLFH-KRWDZBQOSA-N 0 3 324.428 3.118 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)CCc2ccc(F)cc2)CC1 ZINC000865194525 621872258 /nfs/dbraw/zinc/87/22/58/621872258.db2.gz XRRBAORXEWRJML-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000759644007 621878573 /nfs/dbraw/zinc/87/85/73/621878573.db2.gz QBGHMBNEUQMDBE-PYLYDXJYSA-N 0 3 304.434 3.472 20 30 DGEDHN C#CCOc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1 ZINC000759745428 621887189 /nfs/dbraw/zinc/88/71/89/621887189.db2.gz LVUKGRREPHVVBU-UHFFFAOYSA-N 0 3 322.408 3.321 20 30 DGEDHN CCc1csc(SCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000865387724 621908221 /nfs/dbraw/zinc/90/82/21/621908221.db2.gz FXJZCORDCHBWAL-SNVBAGLBSA-N 0 3 323.468 3.439 20 30 DGEDHN CC(C)(C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760337663 621933346 /nfs/dbraw/zinc/93/33/46/621933346.db2.gz AWNOTSNTBCIIHJ-ZDUSSCGKSA-N 0 3 309.369 3.029 20 30 DGEDHN N#CC(C(=O)c1cccc2c3c([nH]c21)CCCC3)c1ccncn1 ZINC000760346138 621933907 /nfs/dbraw/zinc/93/39/07/621933907.db2.gz OPMFFJVXOCIFSI-OAHLLOKOSA-N 0 3 316.364 3.327 20 30 DGEDHN C=CCN1CCC(Nc2nc(C)ccc2Br)CC1 ZINC000865522605 621942295 /nfs/dbraw/zinc/94/22/95/621942295.db2.gz UUBUUGHJJPFABK-UHFFFAOYSA-N 0 3 310.239 3.215 20 30 DGEDHN Cn1ncc2cc(CN[C@H]3CCCc4cc(C#N)ccc43)cnc21 ZINC000865606055 621960519 /nfs/dbraw/zinc/96/05/19/621960519.db2.gz NRDUQLYCDKTMLZ-SFHVURJKSA-N 0 3 317.396 3.007 20 30 DGEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)Nc1cccc(C)c1)C(C)C ZINC000761037526 621980870 /nfs/dbraw/zinc/98/08/70/621980870.db2.gz HWWHVIWSHGEWTF-RDJZCZTQSA-N 0 3 316.401 3.094 20 30 DGEDHN CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259545 622078006 /nfs/dbraw/zinc/07/80/06/622078006.db2.gz CIURZOLSWIOAIW-HUUCEWRRSA-N 0 3 301.434 3.035 20 30 DGEDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(OCC#N)cc1 ZINC000866294463 622086900 /nfs/dbraw/zinc/08/69/00/622086900.db2.gz IRWVHJQIPQYRBD-LJQANCHMSA-N 0 3 308.381 3.375 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)c(F)c1 ZINC000762615978 622087009 /nfs/dbraw/zinc/08/70/09/622087009.db2.gz RUGRBUNPJFIRQQ-RBSFLKMASA-N 0 3 308.447 3.167 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1Cc2ccccc2C1 ZINC000763922893 622168887 /nfs/dbraw/zinc/16/88/87/622168887.db2.gz DJXLPTSBXIWYNM-MRXNPFEDSA-N 0 3 315.376 3.165 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)cc1 ZINC000121783758 622181680 /nfs/dbraw/zinc/18/16/80/622181680.db2.gz LIXOZXRYCNBNTR-AWEZNQCLSA-N 0 3 302.374 3.169 20 30 DGEDHN COc1cc(C(=O)N2c3ccccc3[C@@H](N)C2(C)C)ccc1C#N ZINC000867988304 622200788 /nfs/dbraw/zinc/20/07/88/622200788.db2.gz ZVRLDFZPXLHMKJ-QGZVFWFLSA-N 0 3 321.380 3.006 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOCC2CCC2)c([O-])c1 ZINC000764886551 622229934 /nfs/dbraw/zinc/22/99/34/622229934.db2.gz BLFBJEFDRYGVIM-CPNJWEJPSA-N 0 3 304.434 3.474 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913090 622293541 /nfs/dbraw/zinc/29/35/41/622293541.db2.gz RMJLHWQNUPIUAA-MQDFFIGUSA-N 0 3 316.364 3.464 20 30 DGEDHN Cc1cc(CNc2ccc(N3CCN(C)CC3)cc2)ccc1C#N ZINC000767688303 622415411 /nfs/dbraw/zinc/41/54/11/622415411.db2.gz WXVJVCCWABZZBU-UHFFFAOYSA-N 0 3 320.440 3.231 20 30 DGEDHN C=CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCCCC1 ZINC000768445335 622456656 /nfs/dbraw/zinc/45/66/56/622456656.db2.gz GFWSSMDTWGZCPL-SFHVURJKSA-N 0 3 317.429 3.386 20 30 DGEDHN C=CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCCCC1 ZINC000768445335 622456658 /nfs/dbraw/zinc/45/66/58/622456658.db2.gz GFWSSMDTWGZCPL-SFHVURJKSA-N 0 3 317.429 3.386 20 30 DGEDHN C#CCN(Cc1cc(OC)ccc1OCOC)C1CCCCC1 ZINC000769146422 622502339 /nfs/dbraw/zinc/50/23/39/622502339.db2.gz XYJRWXBAHUOICC-UHFFFAOYSA-N 0 3 317.429 3.446 20 30 DGEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000872140465 622830639 /nfs/dbraw/zinc/83/06/39/622830639.db2.gz NXZQYFBTKFJHLI-XIRDDKMYSA-N 0 3 308.429 3.418 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872279178 622879590 /nfs/dbraw/zinc/87/95/90/622879590.db2.gz CLXVODADAAJXOG-SFHVURJKSA-N 0 3 314.429 3.490 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872281508 622881062 /nfs/dbraw/zinc/88/10/62/622881062.db2.gz TVIJGEYMWCQTLI-GOSISDBHSA-N 0 3 314.429 3.490 20 30 DGEDHN COc1ccc(CN[C@H](C)c2ccccc2N(C)C)cc1C#N ZINC000773073728 622977576 /nfs/dbraw/zinc/97/75/76/622977576.db2.gz FAPMKFSYLUKFMB-CQSZACIVSA-N 0 3 309.413 3.484 20 30 DGEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000773767209 623071028 /nfs/dbraw/zinc/07/10/28/623071028.db2.gz ACPZLAWWWBJQOO-JSGCOSHPSA-N 0 3 304.415 3.174 20 30 DGEDHN CCN1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000774270327 623126145 /nfs/dbraw/zinc/12/61/45/623126145.db2.gz DIVOYHCJWZBRFP-WMZOPIPTSA-N 0 3 312.461 3.323 20 30 DGEDHN N#Cc1ccc(COC(=O)c2cccc(CN3CCCC3)c2)o1 ZINC000873384593 623131394 /nfs/dbraw/zinc/13/13/94/623131394.db2.gz NQAMJGPSDAYSSL-UHFFFAOYSA-N 0 3 310.353 3.104 20 30 DGEDHN CCC(CC)CNN=C(C)c1cccc(N2CCOCC2)c1 ZINC000774462689 623148263 /nfs/dbraw/zinc/14/82/63/623148263.db2.gz LUQOGKYWTGKRJE-UHFFFAOYSA-N 0 3 303.450 3.273 20 30 DGEDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C#N)c2F)c1 ZINC000775369771 623261376 /nfs/dbraw/zinc/26/13/76/623261376.db2.gz QTXZKVJLIFFELA-LLVKDONJSA-N 0 3 300.333 3.262 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)COc1c(C)cccc1C)c1ccccc1 ZINC000775398785 623267981 /nfs/dbraw/zinc/26/79/81/623267981.db2.gz LULPTIIUCDDSQR-VQTJNVASSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)COc1ccc(C)cc1C)c1ccccc1 ZINC000775405048 623270444 /nfs/dbraw/zinc/27/04/44/623270444.db2.gz UKGKDTGAOIYPSK-WOJBJXKFSA-N 0 3 323.436 3.397 20 30 DGEDHN Cn1cc([C@H](NCc2ccc(OCC#N)cc2)C(C)(C)C)cn1 ZINC000775550061 623288350 /nfs/dbraw/zinc/28/83/50/623288350.db2.gz XCSASTYMYWHKPZ-KRWDZBQOSA-N 0 3 312.417 3.199 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000874901788 623388363 /nfs/dbraw/zinc/38/83/63/623388363.db2.gz XEMFLENRJIKLJU-QGZVFWFLSA-N 0 3 315.392 3.351 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(C(F)(F)F)n1 ZINC000776186701 623392527 /nfs/dbraw/zinc/39/25/27/623392527.db2.gz RRCOHTFWCPKKRP-UHFFFAOYSA-N 0 3 309.295 3.007 20 30 DGEDHN C#CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000776252216 623401485 /nfs/dbraw/zinc/40/14/85/623401485.db2.gz KAEAIZPHWGEODQ-SJORKVTESA-N 0 3 314.429 3.350 20 30 DGEDHN COC[C@H](C)NN=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000777903530 623583022 /nfs/dbraw/zinc/58/30/22/623583022.db2.gz SZUVDGGFOWIOQO-HNNXBMFYSA-N 0 3 303.450 3.416 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCC[C@@H]1O ZINC000778246506 623632280 /nfs/dbraw/zinc/63/22/80/623632280.db2.gz QKQFRVMLLAFOOC-BBRMVZONSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876557342 623643731 /nfs/dbraw/zinc/64/37/31/623643731.db2.gz FLCAYMXOYIZBPG-CABZTGNLSA-N 0 3 320.742 3.353 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000876572411 623648724 /nfs/dbraw/zinc/64/87/24/623648724.db2.gz XJDQUALDPHAHSE-OLZOCXBDSA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000876577013 623649528 /nfs/dbraw/zinc/64/95/28/623649528.db2.gz UPSURGYLYJWGST-JTQLQIEISA-N 0 3 306.715 3.422 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(Cl)c1Cl ZINC000876579751 623650770 /nfs/dbraw/zinc/65/07/70/623650770.db2.gz ZKZWKHBHCRVHEG-JTQLQIEISA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000876592546 623654987 /nfs/dbraw/zinc/65/49/87/623654987.db2.gz TWUYOUDXXVQYGH-KGLIPLIRSA-N 0 3 313.228 3.473 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000876594025 623655042 /nfs/dbraw/zinc/65/50/42/623655042.db2.gz QXOCXCVXXCDRTK-ZIAGYGMSSA-N 0 3 312.816 3.499 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000876626088 623663254 /nfs/dbraw/zinc/66/32/54/623663254.db2.gz ODZLGUSNAVNMTF-DZGCQCFKSA-N 0 3 308.853 3.329 20 30 DGEDHN C#CCNC(=O)C1CCN(C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC000876633948 623664712 /nfs/dbraw/zinc/66/47/12/623664712.db2.gz IJEFGKXLKLASRR-SREVYHEPSA-N 0 3 324.468 3.086 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000876635107 623665900 /nfs/dbraw/zinc/66/59/00/623665900.db2.gz MEPNIBRJAUIURB-IRXDYDNUSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000876659064 623673346 /nfs/dbraw/zinc/67/33/46/623673346.db2.gz MJRQVBYQXMWGPV-TZMCWYRMSA-N 0 3 313.228 3.126 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000876672348 623676836 /nfs/dbraw/zinc/67/68/36/623676836.db2.gz UEGSLKWIGRABLJ-CQSZACIVSA-N 0 3 304.821 3.315 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000876672270 623677028 /nfs/dbraw/zinc/67/70/28/623677028.db2.gz LNXSZSQXBQICKX-ULKVUYOBSA-N 0 3 310.800 3.035 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000876673468 623677694 /nfs/dbraw/zinc/67/76/94/623677694.db2.gz NKVRNCZVGZCFAQ-WHOFXGATSA-N 0 3 310.800 3.000 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000876678167 623679415 /nfs/dbraw/zinc/67/94/15/623679415.db2.gz HNPMIGDQQMCJLI-NSHDSACASA-N 0 3 306.715 3.200 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000876685685 623682404 /nfs/dbraw/zinc/68/24/04/623682404.db2.gz ULFMGOUMQLJKGQ-KCXAZCMYSA-N 0 3 306.837 3.109 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000876690938 623683233 /nfs/dbraw/zinc/68/32/33/623683233.db2.gz VOOSECMWTGHCSM-HIFRSBDPSA-N 0 3 324.877 3.097 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC)c1ccc(F)cc1F ZINC000876697926 623685170 /nfs/dbraw/zinc/68/51/70/623685170.db2.gz KHDQDLAOUHARGI-KGLIPLIRSA-N 0 3 316.779 3.392 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000876699019 623685625 /nfs/dbraw/zinc/68/56/25/623685625.db2.gz OKEJYQBOMLWVJY-PVAVHDDUSA-N 0 3 320.864 3.499 20 30 DGEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000126308274 623771648 /nfs/dbraw/zinc/77/16/48/623771648.db2.gz NUSQRCSPPSVIEZ-HNNXBMFYSA-N 0 3 321.380 3.097 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000877037454 623772966 /nfs/dbraw/zinc/77/29/66/623772966.db2.gz REZCQRMXFKCFDB-JYJNAYRXSA-N 0 3 306.837 3.457 20 30 DGEDHN C#CCSCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877047614 623776519 /nfs/dbraw/zinc/77/65/19/623776519.db2.gz BRWXJMXBVTZAGK-UHFFFAOYSA-N 0 3 318.320 3.070 20 30 DGEDHN C[C@@](CO)(NCc1cc(C#N)cnc1Cl)C1CCCCC1 ZINC000877052828 623777124 /nfs/dbraw/zinc/77/71/24/623777124.db2.gz XETJANAAJGGJJC-INIZCTEOSA-N 0 3 307.825 3.028 20 30 DGEDHN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000877065789 623781883 /nfs/dbraw/zinc/78/18/83/623781883.db2.gz WILYMRGDEDVILS-CVEARBPZSA-N 0 3 313.445 3.259 20 30 DGEDHN CC(C)[C@H]1OCCC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877074139 623784106 /nfs/dbraw/zinc/78/41/06/623784106.db2.gz ZWYTZAFZYHWBRU-UKRRQHHQSA-N 0 3 307.825 3.147 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC)c(F)c1 ZINC000877087776 623788447 /nfs/dbraw/zinc/78/84/47/623788447.db2.gz RNSONJDCAFMJFP-GFCCVEGCSA-N 0 3 300.761 3.023 20 30 DGEDHN CCC1(CC)[C@H](NCc2cc(C#N)cnc2Cl)C[C@@H]1OC ZINC000877109955 623793027 /nfs/dbraw/zinc/79/30/27/623793027.db2.gz JKDQPIUSGDUUKU-KGLIPLIRSA-N 0 3 307.825 3.290 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CC1)c1ccc(OCC)cc1 ZINC000877131204 623799604 /nfs/dbraw/zinc/79/96/04/623799604.db2.gz WKDCYXUCJRIXHX-MRXNPFEDSA-N 0 3 322.836 3.298 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC2CCC(OC(F)F)CC2)c1 ZINC000877574129 623948235 /nfs/dbraw/zinc/94/82/35/623948235.db2.gz ZAYKBDXJMXOPMS-UHFFFAOYSA-N 0 3 315.751 3.247 20 30 DGEDHN Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c([O-])c1 ZINC000877658133 623980627 /nfs/dbraw/zinc/98/06/27/623980627.db2.gz UUGBWNXFGBAOGN-UHFFFAOYSA-N 0 3 322.408 3.368 20 30 DGEDHN Cc1ccc2ncc(CN(C)CCc3cccc(C#N)c3)n2c1 ZINC000877704232 623998774 /nfs/dbraw/zinc/99/87/74/623998774.db2.gz LFERJEDJMWOGCE-UHFFFAOYSA-N 0 3 304.397 3.189 20 30 DGEDHN C[C@H](CCC#N)CNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000877732336 624007822 /nfs/dbraw/zinc/00/78/22/624007822.db2.gz JNGHIHYUAOQCMF-LLVKDONJSA-N 0 3 314.355 3.268 20 30 DGEDHN C#C[C@H]1CC[C@H](NCc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000877834546 624062722 /nfs/dbraw/zinc/06/27/22/624062722.db2.gz UVUOHLWIKYBJNJ-MGCOHNPYSA-N 0 3 319.758 3.374 20 30 DGEDHN C=CCN(Cc1cccs1)C[C@H](O)CC1(CO)CCCC1 ZINC000877906478 624087112 /nfs/dbraw/zinc/08/71/12/624087112.db2.gz CTCJBUCUEXGQMU-OAHLLOKOSA-N 0 3 309.475 3.040 20 30 DGEDHN C=CCN(Cc1cccs1)C[C@@H](O)CC1(CO)CCCC1 ZINC000877906477 624087727 /nfs/dbraw/zinc/08/77/27/624087727.db2.gz CTCJBUCUEXGQMU-HNNXBMFYSA-N 0 3 309.475 3.040 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000878035803 624143702 /nfs/dbraw/zinc/14/37/02/624143702.db2.gz DVVDHAZKDZPLPI-HUUCEWRRSA-N 0 3 321.465 3.448 20 30 DGEDHN C#CCCCCCN1CCN(c2ncnc3sccc32)CC1 ZINC000878207934 624216768 /nfs/dbraw/zinc/21/67/68/624216768.db2.gz ZKCOFPOQYBFYHG-UHFFFAOYSA-N 0 3 314.458 3.007 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878386530 624263596 /nfs/dbraw/zinc/26/35/96/624263596.db2.gz SKRGHWUCSWDMCD-GOSISDBHSA-N 0 3 319.445 3.286 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC1(CC#N)CC1 ZINC000878399572 624266964 /nfs/dbraw/zinc/26/69/64/624266964.db2.gz OBELDKMLADZYDQ-CABCVRRESA-N 0 3 319.449 3.154 20 30 DGEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)Nc1ccccc1 ZINC000783350439 624338874 /nfs/dbraw/zinc/33/88/74/624338874.db2.gz NNFHOHXNPLTZTO-HNNXBMFYSA-N 0 3 312.394 3.418 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000783532366 624362312 /nfs/dbraw/zinc/36/23/12/624362312.db2.gz QPNCOSMVMIPRQK-HNNXBMFYSA-N 0 3 315.866 3.228 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](CC(C)(C)C)c1ccccc1 ZINC000783533371 624362415 /nfs/dbraw/zinc/36/24/15/624362415.db2.gz YWGCTKJJQXHILC-MRXNPFEDSA-N 0 3 309.475 3.354 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](CCC)c1ccc(Cl)cc1 ZINC000783538005 624363448 /nfs/dbraw/zinc/36/34/48/624363448.db2.gz YWSJUUUKZXQZSZ-OAHLLOKOSA-N 0 3 315.866 3.372 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CC1(CC#N)CC1 ZINC000878814768 624365450 /nfs/dbraw/zinc/36/54/50/624365450.db2.gz UEMQUQDIZIOKIR-KBPBESRZSA-N 0 3 307.438 3.058 20 30 DGEDHN C#CCCOc1ccc(CN(CCO)Cc2ccc(C)cc2)cc1 ZINC000783602358 624373194 /nfs/dbraw/zinc/37/31/94/624373194.db2.gz GEEVIORLNYPSRR-UHFFFAOYSA-N 0 3 323.436 3.392 20 30 DGEDHN COc1ccc(CN2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000879024463 624410772 /nfs/dbraw/zinc/41/07/72/624410772.db2.gz WCSWPQTWCNTHFV-UHFFFAOYSA-N 0 3 307.397 3.341 20 30 DGEDHN C[C@@H](C#N)OCCN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000879079233 624421965 /nfs/dbraw/zinc/42/19/65/624421965.db2.gz GUCHUOSEEKFWOZ-PXNSSMCTSA-N 0 3 324.424 3.151 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)c1F ZINC000879244856 624460296 /nfs/dbraw/zinc/46/02/96/624460296.db2.gz UBFWLRCHVYSFME-HKUYNNGSSA-N 0 3 310.372 3.395 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@@H](O)c1c(F)cccc1F ZINC000879434933 624546486 /nfs/dbraw/zinc/54/64/86/624546486.db2.gz QPAJXPWJBCFVLM-QGZVFWFLSA-N 0 3 316.351 3.044 20 30 DGEDHN COc1cc(C#N)ccc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000879734971 624657710 /nfs/dbraw/zinc/65/77/10/624657710.db2.gz QGUKBCIFHHPBIE-KRWDZBQOSA-N 0 3 300.402 3.148 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2CCC(C)(C)C#N ZINC000879756176 624667433 /nfs/dbraw/zinc/66/74/33/624667433.db2.gz ZSHOWUDUGXCGSY-GJZGRUSLSA-N 0 3 321.465 3.400 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](CC(=O)C(C#N)C(=O)NC2CC2)c2ccccc21 ZINC000786305361 624846835 /nfs/dbraw/zinc/84/68/35/624846835.db2.gz DIVJEABTTONHGQ-KKXDTOCCSA-N 0 3 324.424 3.291 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(C(C)C)nc2CC)CC1 ZINC000880483645 624965264 /nfs/dbraw/zinc/96/52/64/624965264.db2.gz HYUHDVUZEFZQBR-UHFFFAOYSA-N 0 3 300.446 3.118 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCC1 ZINC000787075127 624976557 /nfs/dbraw/zinc/97/65/57/624976557.db2.gz VPEXPLUOJKOLTI-YOEHRIQHSA-N 0 3 312.413 3.180 20 30 DGEDHN OC[C@@H](NN=C1CCCC[C@@H]1N1CCCCC1)c1ccccc1 ZINC000788459329 625182174 /nfs/dbraw/zinc/18/21/74/625182174.db2.gz FTPWCOZNHUVXJA-MOPGFXCFSA-N 0 3 315.461 3.094 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCOC(F)(F)F)c([O-])c1 ZINC000788673455 625240049 /nfs/dbraw/zinc/24/00/49/625240049.db2.gz OYJTVTNSVGTIHY-ZDLGFXPLSA-N 0 3 304.312 3.194 20 30 DGEDHN Cc1nc(C#N)cc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000882477525 625737416 /nfs/dbraw/zinc/73/74/16/625737416.db2.gz UFUOARRRAQBRFW-KRWDZBQOSA-N 0 3 324.453 3.413 20 30 DGEDHN C#CCSCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796308266 626037532 /nfs/dbraw/zinc/03/75/32/626037532.db2.gz AWWIIGDHRMQRSF-UHFFFAOYSA-N 0 3 314.241 3.097 20 30 DGEDHN CCC[C@@]1(NCc2cc(Cl)ccc2OCC#N)CCOC1 ZINC000796443368 626050369 /nfs/dbraw/zinc/05/03/69/626050369.db2.gz RZACBQAIYJKZCA-MRXNPFEDSA-N 0 3 308.809 3.291 20 30 DGEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000796631740 626067933 /nfs/dbraw/zinc/06/79/33/626067933.db2.gz INGWOPDDMDVOOF-SNVBAGLBSA-N 0 3 300.692 3.033 20 30 DGEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccccc1Cl ZINC000796632629 626068081 /nfs/dbraw/zinc/06/80/81/626068081.db2.gz AKLJJYXQIHJBHA-MRVPVSSYSA-N 0 3 300.692 3.033 20 30 DGEDHN C=CCC[C@H](NC[C@H](O)COc1cccc(F)c1)c1ccco1 ZINC000796701958 626074490 /nfs/dbraw/zinc/07/44/90/626074490.db2.gz JTSXJMQNFVAQHW-RDJZCZTQSA-N 0 3 319.376 3.456 20 30 DGEDHN C=CCC[C@H](NCCNC(=O)c1ccc(F)cc1)c1ccco1 ZINC000796705059 626074758 /nfs/dbraw/zinc/07/47/58/626074758.db2.gz SMCRXDOJXLVZRV-INIZCTEOSA-N 0 3 316.376 3.446 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOC(C)(C)C ZINC000796737377 626077987 /nfs/dbraw/zinc/07/79/87/626077987.db2.gz AEFXSMBJCKPBMR-ZDUSSCGKSA-N 0 3 313.401 3.345 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796780983 626082102 /nfs/dbraw/zinc/08/21/02/626082102.db2.gz UHLPMZXPCLGCTI-GVDBMIGSSA-N 0 3 312.413 3.195 20 30 DGEDHN COc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C#N ZINC000796837624 626088203 /nfs/dbraw/zinc/08/82/03/626088203.db2.gz PIFBYHZSCAAWAN-LLVKDONJSA-N 0 3 323.352 3.264 20 30 DGEDHN CC(C)c1c(Cl)ncnc1N=NC1CN(C(C)C)C[C@@H]1C ZINC000797405211 626140415 /nfs/dbraw/zinc/14/04/15/626140415.db2.gz NRPXVLLPULFKRH-NSHDSACASA-N 0 3 309.845 3.381 20 30 DGEDHN C=C(CC)CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000840826800 626255189 /nfs/dbraw/zinc/25/51/89/626255189.db2.gz WAXQJJVRPGXDOF-UHFFFAOYSA-N 0 3 317.502 3.081 20 30 DGEDHN COc1cc(CN[C@@H](C)c2ccc3c(c2)CCO3)ccc1C#N ZINC000799336678 626291756 /nfs/dbraw/zinc/29/17/56/626291756.db2.gz NTAXNDPCOVCMSH-ZDUSSCGKSA-N 0 3 308.381 3.353 20 30 DGEDHN COc1cc(CNCc2ccc(N(C)C)cc2C)ccc1C#N ZINC000799337526 626292164 /nfs/dbraw/zinc/29/21/64/626292164.db2.gz ZODKXEXDVATINV-UHFFFAOYSA-N 0 3 309.413 3.231 20 30 DGEDHN COc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1C#N ZINC000799337417 626292303 /nfs/dbraw/zinc/29/23/03/626292303.db2.gz HICBAQXEJQRGEH-CQSZACIVSA-N 0 3 321.380 3.320 20 30 DGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)cc1C(F)(F)F ZINC000799492034 626305439 /nfs/dbraw/zinc/30/54/39/626305439.db2.gz IYJACYSLLSKFOF-JTQLQIEISA-N 0 3 322.334 3.459 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000800385741 626355146 /nfs/dbraw/zinc/35/51/46/626355146.db2.gz DTUIJCMTMOFDEM-SWLSCSKDSA-N 0 3 302.374 3.169 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800385545 626355295 /nfs/dbraw/zinc/35/52/95/626355295.db2.gz ZMIOLNLNUXETKI-DGCLKSJQSA-N 0 3 306.312 3.159 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000801929634 626426078 /nfs/dbraw/zinc/42/60/78/626426078.db2.gz RBRSEVOUCIKDHK-ZIAGYGMSSA-N 0 3 319.474 3.130 20 30 DGEDHN CCc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000802045090 626430051 /nfs/dbraw/zinc/43/00/51/626430051.db2.gz FREJXYKGAJOQRK-RCCFBDPRSA-N 0 3 324.424 3.120 20 30 DGEDHN C[C@]1(CNCc2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000883340240 626653354 /nfs/dbraw/zinc/65/33/54/626653354.db2.gz MKYCLQRWWFLGEG-LJQANCHMSA-N 0 3 310.372 3.275 20 30 DGEDHN C#CC1(NCc2ccc(NC(=O)OC(C)(C)C)nc2)CCCC1 ZINC000883363030 626661822 /nfs/dbraw/zinc/66/18/22/626661822.db2.gz UFEDAIIGDWOFRK-UHFFFAOYSA-N 0 3 315.417 3.464 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000883401389 626673745 /nfs/dbraw/zinc/67/37/45/626673745.db2.gz LMBAHCCHEYAEMI-AWEZNQCLSA-N 0 3 316.357 3.272 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000804456159 626682427 /nfs/dbraw/zinc/68/24/27/626682427.db2.gz TYJKKDKEGQUWMO-FQEVSTJZSA-N 0 3 320.436 3.113 20 30 DGEDHN COc1ccc(CCNN=C(C)c2c(C)cc(N)cc2C)cc1 ZINC000884432047 626879418 /nfs/dbraw/zinc/87/94/18/626879418.db2.gz QMUPKBXXDIYECY-UHFFFAOYSA-N 0 3 311.429 3.451 20 30 DGEDHN CC(=NNCc1ccccc1N(C)C)c1c(C)cc(N)cc1C ZINC000884464289 626883657 /nfs/dbraw/zinc/88/36/57/626883657.db2.gz KKCORTRNUBJUIF-UHFFFAOYSA-N 0 3 310.445 3.465 20 30 DGEDHN C#CCOc1ccccc1-c1noc(C2CCN(C3CC3)CC2)n1 ZINC000809395811 626909537 /nfs/dbraw/zinc/90/95/37/626909537.db2.gz SGLQYJYFNXIMCD-UHFFFAOYSA-N 0 3 323.396 3.090 20 30 DGEDHN C#CCN(CC)CCCC(=O)c1ccc(Br)cc1 ZINC000809577242 626921850 /nfs/dbraw/zinc/92/18/50/626921850.db2.gz NLFSXHKHDASURN-UHFFFAOYSA-N 0 3 308.219 3.367 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3ccncc3C)CC2)cc1 ZINC000809655851 626933928 /nfs/dbraw/zinc/93/39/28/626933928.db2.gz RLQXZHDNGOVJSX-UHFFFAOYSA-N 0 3 306.409 3.415 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000809750225 626946349 /nfs/dbraw/zinc/94/63/49/626946349.db2.gz RCVMYVPJLLEIHE-CWRNSKLLSA-N 0 3 301.386 3.152 20 30 DGEDHN C#C[C@@H](NCc1cc(OC)c(OCC)c(OC)c1)C(C)(C)C ZINC000809781159 626951597 /nfs/dbraw/zinc/95/15/97/626951597.db2.gz IDAFYLBIOVECFP-MRXNPFEDSA-N 0 3 305.418 3.240 20 30 DGEDHN C#C[C@@H](NCc1c[nH]nc1-c1c(F)cccc1F)C(C)(C)C ZINC000809781603 626952247 /nfs/dbraw/zinc/95/22/47/626952247.db2.gz XAYLRHIVURMBMI-CQSZACIVSA-N 0 3 303.356 3.492 20 30 DGEDHN COc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccc1C#N ZINC000810168728 626983867 /nfs/dbraw/zinc/98/38/67/626983867.db2.gz KOKWDFVFEVKISH-AWEZNQCLSA-N 0 3 321.380 3.148 20 30 DGEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1C#N ZINC000810228285 626989995 /nfs/dbraw/zinc/98/99/95/626989995.db2.gz SGIBUPSCWYGIBT-SFHVURJKSA-N 0 3 303.365 3.216 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H](O)c1c(F)cccc1F)CC2 ZINC000810227037 626990094 /nfs/dbraw/zinc/99/00/94/626990094.db2.gz QKAVBIBZXLOAPN-IAGOWNOFSA-N 0 3 314.335 3.147 20 30 DGEDHN CC[C@@](C)(NC[C@@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886072799 627098669 /nfs/dbraw/zinc/09/86/69/627098669.db2.gz MZGHNGFWYQDHLO-DZGCQCFKSA-N 0 3 307.463 3.111 20 30 DGEDHN COC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000886176825 627117762 /nfs/dbraw/zinc/11/77/62/627117762.db2.gz LXDYMHWEEGIDGS-JKSUJKDBSA-N 0 3 322.836 3.062 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000886361626 627143245 /nfs/dbraw/zinc/14/32/45/627143245.db2.gz OZKXWKJCXIYXJJ-XHSDSOJGSA-N 0 3 316.470 3.145 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000886364440 627143771 /nfs/dbraw/zinc/14/37/71/627143771.db2.gz ZRRJMXAFRFIDHM-LLVKDONJSA-N 0 3 318.218 3.171 20 30 DGEDHN C#CCN(C(=O)c1ccc2ccccc2c1)C1CCN(C)CC1 ZINC000886589474 627168926 /nfs/dbraw/zinc/16/89/26/627168926.db2.gz WQGOAZDLQBRDOA-UHFFFAOYSA-N 0 3 306.409 3.009 20 30 DGEDHN C[C@@H](NC[C@H](O)Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000886675104 627187008 /nfs/dbraw/zinc/18/70/08/627187008.db2.gz XAACKEDKULAEDV-IUODEOHRSA-N 0 3 316.351 3.091 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000886755324 627199489 /nfs/dbraw/zinc/19/94/89/627199489.db2.gz FKCHLZCBZPFRHF-UHFFFAOYSA-N 0 3 315.335 3.488 20 30 DGEDHN C#CCC1(NCc2nc3cc(C)ccc3s2)CCOCC1 ZINC000887120939 627226720 /nfs/dbraw/zinc/22/67/20/627226720.db2.gz RWTNLRDRFAUPDQ-UHFFFAOYSA-N 0 3 300.427 3.267 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(CC)[C@@H]1CCOC1 ZINC000812296987 627368393 /nfs/dbraw/zinc/36/83/93/627368393.db2.gz UBMXIVRHPVVKKP-CQSZACIVSA-N 0 3 317.458 3.383 20 30 DGEDHN C#C[C@H](NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000812342539 627373346 /nfs/dbraw/zinc/37/33/46/627373346.db2.gz ODAPLZKCKLCNAN-PVAVHDDUSA-N 0 3 315.461 3.025 20 30 DGEDHN CC(C)CO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213647 627467412 /nfs/dbraw/zinc/46/74/12/627467412.db2.gz KGYVURVYVGAWEC-CMPLNLGQSA-N 0 3 314.307 3.338 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000815059873 627620493 /nfs/dbraw/zinc/62/04/93/627620493.db2.gz IWBDOSHSGMMNEZ-QGZVFWFLSA-N 0 3 317.454 3.486 20 30 DGEDHN C=CCCOCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816469086 627793389 /nfs/dbraw/zinc/79/33/89/627793389.db2.gz SDHAVUASVVJQQK-SJLPKXTDSA-N 0 3 317.429 3.175 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@]1(C(F)(F)F)CCCN1 ZINC000925859096 627807114 /nfs/dbraw/zinc/80/71/14/627807114.db2.gz ZBXRKMPNFHFXNA-HOTGVXAUSA-N 0 3 323.362 3.210 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCC2(O)CCC2)c([O-])c1 ZINC000817708141 627936485 /nfs/dbraw/zinc/93/64/85/627936485.db2.gz UNBAMOOJFDAKBI-RGEXLXHISA-N 0 3 304.434 3.353 20 30 DGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccnn1C ZINC000817714193 627937834 /nfs/dbraw/zinc/93/78/34/627937834.db2.gz MQAFKVYTKZGIMH-MNOVXSKESA-N 0 3 310.382 3.010 20 30 DGEDHN C[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cc(C#N)ccn1 ZINC000926915373 627979718 /nfs/dbraw/zinc/97/97/18/627979718.db2.gz KNXZJMLJNZWYTM-VHRBIJSZSA-N 0 3 313.323 3.104 20 30 DGEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1C#N ZINC000926965426 627991000 /nfs/dbraw/zinc/99/10/00/627991000.db2.gz QYCMUWPYWPFCLS-CYBMUJFWSA-N 0 3 321.380 3.048 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1oc2ccc(Cl)cc2c1C ZINC000818589353 628039472 /nfs/dbraw/zinc/03/94/72/628039472.db2.gz YNGSMSZHJVIAKC-UHFFFAOYSA-N 0 3 318.804 3.080 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC000818599083 628040843 /nfs/dbraw/zinc/04/08/43/628040843.db2.gz ABBYJYMQDODUPO-KRWDZBQOSA-N 0 3 320.864 3.151 20 30 DGEDHN N#CCC[C@@H](C#N)CNCCc1ccc(N2CCCCC2)cc1 ZINC000818955706 628066842 /nfs/dbraw/zinc/06/68/42/628066842.db2.gz BIJRAMUWOCYCEJ-SFHVURJKSA-N 0 3 310.445 3.253 20 30 DGEDHN N#Cc1ccc([C@@H](O)CNCc2ccccc2OC2CCC2)cc1 ZINC000819080083 628088605 /nfs/dbraw/zinc/08/86/05/628088605.db2.gz IBFUTUDSLOCIEA-IBGZPJMESA-N 0 3 322.408 3.313 20 30 DGEDHN CCOc1cc(C)ccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819149678 628101076 /nfs/dbraw/zinc/10/10/76/628101076.db2.gz KLYFPRHCCUKTTI-SFHVURJKSA-N 0 3 310.397 3.089 20 30 DGEDHN CN(C)Cc1ccc(C(=O)Nc2ccc(CCC#N)cc2)cc1 ZINC000928405657 628148955 /nfs/dbraw/zinc/14/89/55/628148955.db2.gz GPRQPVPNZFGZAA-UHFFFAOYSA-N 0 3 307.397 3.457 20 30 DGEDHN C[C@H]1[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1C ZINC000928454258 628152331 /nfs/dbraw/zinc/15/23/31/628152331.db2.gz QWZDTDZZQRWRMV-IFXJQAMLSA-N 0 3 319.408 3.048 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819734229 628183845 /nfs/dbraw/zinc/18/38/45/628183845.db2.gz KMBYLGIVEPGQKC-CQSZACIVSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819734229 628183849 /nfs/dbraw/zinc/18/38/49/628183849.db2.gz KMBYLGIVEPGQKC-CQSZACIVSA-N 0 3 303.385 3.230 20 30 DGEDHN Cc1cc(Br)cnc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000819827951 628194095 /nfs/dbraw/zinc/19/40/95/628194095.db2.gz QDKJIZFMINEEJP-SNVBAGLBSA-N 0 3 323.238 3.177 20 30 DGEDHN C=CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCOCC1 ZINC000819951618 628203795 /nfs/dbraw/zinc/20/37/95/628203795.db2.gz DJDVZEIYLPPFMF-ZDUSSCGKSA-N 0 3 310.353 3.377 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000823126271 628529076 /nfs/dbraw/zinc/52/90/76/628529076.db2.gz WLBIZSYBHJZMDW-PKOBYXMFSA-N 0 3 312.457 3.330 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000823126270 628529086 /nfs/dbraw/zinc/52/90/86/628529086.db2.gz WLBIZSYBHJZMDW-MJGOQNOKSA-N 0 3 312.457 3.330 20 30 DGEDHN C#CCC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823844578 628602266 /nfs/dbraw/zinc/60/22/66/628602266.db2.gz BTBVCXHRNNVWLR-AWEZNQCLSA-N 0 3 317.396 3.208 20 30 DGEDHN C#CCC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823844578 628602268 /nfs/dbraw/zinc/60/22/68/628602268.db2.gz BTBVCXHRNNVWLR-AWEZNQCLSA-N 0 3 317.396 3.208 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C#Cc2cccs2)C1 ZINC000825389409 628756464 /nfs/dbraw/zinc/75/64/64/628756464.db2.gz NJGPRWYQWUZZBL-DOTOQJQBSA-N 0 3 324.449 3.051 20 30 DGEDHN C#C[C@H](NCc1cc(Br)cs1)C1CCOCC1 ZINC000827575294 628972514 /nfs/dbraw/zinc/97/25/14/628972514.db2.gz OPGIGWJBBMRJQR-ZDUSSCGKSA-N 0 3 314.248 3.029 20 30 DGEDHN C=CCOc1ccc(CN(CC[S@](C)=O)C(C)(C)C)cc1 ZINC000828052453 629018106 /nfs/dbraw/zinc/01/81/06/629018106.db2.gz FUMLYUOGPMOJJG-NRFANRHFSA-N 0 3 309.475 3.230 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000829810844 629196360 /nfs/dbraw/zinc/19/63/60/629196360.db2.gz UVRLQRYTBCISQF-AWEZNQCLSA-N 0 3 302.374 3.229 20 30 DGEDHN C#CC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000830321560 629252709 /nfs/dbraw/zinc/25/27/09/629252709.db2.gz QUONAOADXHIZRH-UHFFFAOYSA-N 0 3 310.441 3.158 20 30 DGEDHN C#CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000830329873 629253977 /nfs/dbraw/zinc/25/39/77/629253977.db2.gz KPYANPGNOKVDQX-UHFFFAOYSA-N 0 3 307.393 3.127 20 30 DGEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063743 629841689 /nfs/dbraw/zinc/84/16/89/629841689.db2.gz QDMBTDWQIUKQSO-ZYHUDNBSSA-N 0 3 312.291 3.313 20 30 DGEDHN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835342212 629910592 /nfs/dbraw/zinc/91/05/92/629910592.db2.gz ZRIKNFIKNKAYCD-BRWVUGGUSA-N 0 3 312.413 3.180 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000837357959 630246931 /nfs/dbraw/zinc/24/69/31/630246931.db2.gz KWWDTWDSXIGYKT-QFBILLFUSA-N 0 3 310.441 3.084 20 30 DGEDHN CN(CCOC(=O)c1cccc(CC#N)c1)Cc1ccccc1 ZINC000837441885 630258358 /nfs/dbraw/zinc/25/83/58/630258358.db2.gz BJWLECYPWUDCDQ-UHFFFAOYSA-N 0 3 308.381 3.041 20 30 DGEDHN CN(CCOC(=O)c1ccc(CC#N)cc1)Cc1ccccc1 ZINC000837600906 630283478 /nfs/dbraw/zinc/28/34/78/630283478.db2.gz JMLXMPXNTDYDCN-UHFFFAOYSA-N 0 3 308.381 3.041 20 30 DGEDHN CC(C)(C)OC(=O)CCCC=Nn1cnnc1-c1ccccc1 ZINC000841619313 630448835 /nfs/dbraw/zinc/44/88/35/630448835.db2.gz VCRNWGOQVPSCFL-UHFFFAOYSA-N 0 3 314.389 3.291 20 30 DGEDHN CC(C)OCCNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841634131 630450129 /nfs/dbraw/zinc/45/01/29/630450129.db2.gz OEKNPFVYHJVPQM-LJQANCHMSA-N 0 3 315.461 3.357 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2(F)CC2)cc1 ZINC000842685808 630562983 /nfs/dbraw/zinc/56/29/83/630562983.db2.gz ICYXOAZXWMSTMT-AWEZNQCLSA-N 0 3 302.349 3.179 20 30 DGEDHN C#CCCCC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000843695777 630689169 /nfs/dbraw/zinc/68/91/69/630689169.db2.gz ILNKLRTZULCDSN-LJQANCHMSA-N 0 3 312.457 3.301 20 30 DGEDHN CC#CCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875484 631200475 /nfs/dbraw/zinc/20/04/75/631200475.db2.gz LAPYRGHKFXTFIZ-BLLLJJGKSA-N 0 3 307.321 3.269 20 30 DGEDHN COc1cc(C)ccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006194 631205528 /nfs/dbraw/zinc/20/55/28/631205528.db2.gz HFYLZAYVDDAWNO-GOSISDBHSA-N 0 3 310.397 3.041 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)nc1 ZINC000846820805 631318106 /nfs/dbraw/zinc/31/81/06/631318106.db2.gz NGYFPXLASGJOIB-RTBURBONSA-N 0 3 307.397 3.041 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1 ZINC000847039639 631388914 /nfs/dbraw/zinc/38/89/14/631388914.db2.gz ZZWGETFOBYVNDU-SFHVURJKSA-N 0 3 300.402 3.122 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000848398208 631653910 /nfs/dbraw/zinc/65/39/10/631653910.db2.gz RSXFBPNSRUKIIW-XHSDSOJGSA-N 0 3 307.482 3.366 20 30 DGEDHN CC(C)N(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000848411833 631656847 /nfs/dbraw/zinc/65/68/47/631656847.db2.gz UOZCMOKDQQFMNI-OAHLLOKOSA-N 0 3 320.412 3.020 20 30 DGEDHN FC(F)(F)C(Cc1ccccc1)=NNCCCn1ccnc1 ZINC000848418593 631658406 /nfs/dbraw/zinc/65/84/06/631658406.db2.gz NVCWWMLVUSJBIL-UHFFFAOYSA-N 0 3 310.323 3.024 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000848923066 631788671 /nfs/dbraw/zinc/78/86/71/631788671.db2.gz DTQJBUTXJQVRIJ-INIZCTEOSA-N 0 3 312.413 3.223 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC(=O)CC)c(OCC)c2)C1 ZINC000848924453 631790212 /nfs/dbraw/zinc/79/02/12/631790212.db2.gz SQKKJHDWQVCNMT-OAHLLOKOSA-N 0 3 315.413 3.246 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2COC3(CCC3)C2)c([O-])c1 ZINC000849172466 631852515 /nfs/dbraw/zinc/85/25/15/631852515.db2.gz SOIVLKSVNAEXPA-UZUMKDMXSA-N 0 3 302.418 3.369 20 30 DGEDHN COCc1csc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000850222205 632084573 /nfs/dbraw/zinc/08/45/73/632084573.db2.gz SQUBAROJHHLHTA-UHFFFAOYSA-N 0 3 302.399 3.065 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(C2OCCO2)s1 ZINC000850342344 632118833 /nfs/dbraw/zinc/11/88/33/632118833.db2.gz POZFTMBQYYIKTM-OLZOCXBDSA-N 0 3 308.447 3.413 20 30 DGEDHN C[C@@H](O)[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000850421182 632147715 /nfs/dbraw/zinc/14/77/15/632147715.db2.gz WEYGELPXLZONPV-UZLBHIALSA-N 0 3 323.440 3.248 20 30 DGEDHN C[C@@H](O)[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000850421181 632147890 /nfs/dbraw/zinc/14/78/90/632147890.db2.gz WEYGELPXLZONPV-OXQOHEQNSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCOCCCN[C@@H](C)c1cc(Br)ncc1F ZINC000850532399 632183491 /nfs/dbraw/zinc/18/34/91/632183491.db2.gz UMMWPFYEIILWMC-JTQLQIEISA-N 0 3 317.202 3.227 20 30 DGEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CCCC2)cc1C ZINC000850767616 632218935 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C=CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@H](C)C1 ZINC000944315384 660218830 /nfs/dbraw/zinc/21/88/30/660218830.db2.gz AJLPFIFPAZMHSD-PWSUYJOCSA-N 0 3 312.866 3.336 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000944620118 660226714 /nfs/dbraw/zinc/22/67/14/660226714.db2.gz QKLQCWJYGHEWGS-NHYWBVRUSA-N 0 3 310.800 3.105 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2C2CC2)[C@@H](C)C1 ZINC000944651449 660228436 /nfs/dbraw/zinc/22/84/36/660228436.db2.gz FQULVAMONWOUGJ-BBRMVZONSA-N 0 3 316.470 3.089 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2C(F)F)[C@H](C)C1 ZINC000944493323 660224098 /nfs/dbraw/zinc/22/40/98/660224098.db2.gz UGYULFKZBYOHCK-ZYHUDNBSSA-N 0 3 314.401 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2oc3ccccc3c2C)[C@H](C)C1 ZINC000944700662 660229897 /nfs/dbraw/zinc/22/98/97/660229897.db2.gz LMLNJKBPQWPXCJ-CJNGLKHVSA-N 0 3 312.413 3.367 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C[C@@H]1C ZINC000948070538 659915938 /nfs/dbraw/zinc/91/59/38/659915938.db2.gz 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ZINC000997343338 660319490 /nfs/dbraw/zinc/31/94/90/660319490.db2.gz ZIYBYYZDYUGSSP-MRXNPFEDSA-N 0 3 322.452 3.110 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000997421839 660324891 /nfs/dbraw/zinc/32/48/91/660324891.db2.gz TTZTTWWQFCFRFU-MRXNPFEDSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)C[C@@H]1C ZINC000947925140 660328987 /nfs/dbraw/zinc/32/89/87/660328987.db2.gz KJTNAUWYOGISEN-KXBFYZLASA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccccc12 ZINC001032502891 660332320 /nfs/dbraw/zinc/33/23/20/660332320.db2.gz BNFLWHHNZBMVKZ-GJZGRUSLSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(C(F)F)c1 ZINC001032516445 660336052 /nfs/dbraw/zinc/33/60/52/660336052.db2.gz YGWYWIPPGVNCTH-HOTGVXAUSA-N 0 3 320.383 3.028 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2csc(Cl)c2)CC1 ZINC000997786510 660344403 /nfs/dbraw/zinc/34/44/03/660344403.db2.gz JLQYHPPHFLZAIM-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2CCC3(CC3)CC2)CC1 ZINC000997675090 660338480 /nfs/dbraw/zinc/33/84/80/660338480.db2.gz XJJWCTKUGTXPPB-INIZCTEOSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000997683845 660338728 /nfs/dbraw/zinc/33/87/28/660338728.db2.gz HHVWDBVMGJPUAK-KANFNMMFSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000997692481 660339297 /nfs/dbraw/zinc/33/92/97/660339297.db2.gz TWSNPUGYDPQHSS-DSLXNQLJSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000997808224 660345824 /nfs/dbraw/zinc/34/58/24/660345824.db2.gz JIJASMOSMPTLMB-LNLFQRSKSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(C)ccc2C)CC1 ZINC000997846035 660347238 /nfs/dbraw/zinc/34/72/38/660347238.db2.gz JDRCZSNKPBOICV-KRWDZBQOSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000997874338 660348494 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ZINC000998070337 660367877 /nfs/dbraw/zinc/36/78/77/660367877.db2.gz JGTBHDDPPNZYQI-SFHVURJKSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)c(C)c1 ZINC001032602247 660372158 /nfs/dbraw/zinc/37/21/58/660372158.db2.gz UDZSOQJJBIIEAT-GJZGRUSLSA-N 0 3 304.821 3.123 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000998177044 660374395 /nfs/dbraw/zinc/37/43/95/660374395.db2.gz PSKXOEDAVMBQCT-BZSNNMDCSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2oc(CC)cc2C)CC1 ZINC000998175775 660374413 /nfs/dbraw/zinc/37/44/13/660374413.db2.gz WJJYYRUEKSNZMZ-INIZCTEOSA-N 0 3 316.445 3.100 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)CC1 ZINC000998091949 660369071 /nfs/dbraw/zinc/36/90/71/660369071.db2.gz HGVJKTALCUTYJW-GOSISDBHSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998214825 660376379 /nfs/dbraw/zinc/37/63/79/660376379.db2.gz GKZZMKZNIQENIE-UONOGXRCSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2(CC)CC2)CC[C@H]1C(F)(F)F ZINC000998283042 660380862 /nfs/dbraw/zinc/38/08/62/660380862.db2.gz BVUOATKUWQGHDX-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2OC(C)C)C[C@H]1C ZINC000947947921 660397138 /nfs/dbraw/zinc/39/71/38/660397138.db2.gz KTKPWLFXPIQWBO-CVEARBPZSA-N 0 3 316.445 3.243 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ccc21 ZINC001032642767 660403144 /nfs/dbraw/zinc/40/31/44/660403144.db2.gz BOPBWEKDKGFYHI-GJZGRUSLSA-N 0 3 309.413 3.033 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccccc2CC)C1 ZINC000998976670 660403179 /nfs/dbraw/zinc/40/31/79/660403179.db2.gz YILYKZMPFFAACS-UHFFFAOYSA-N 0 3 320.864 3.123 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccoc3CCC)C2)C1 ZINC001040493251 660405096 /nfs/dbraw/zinc/40/50/96/660405096.db2.gz JBKUQAKVJWLWHL-IBGZPJMESA-N 0 3 316.445 3.346 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCC2)cc1 ZINC000131628258 660412854 /nfs/dbraw/zinc/41/28/54/660412854.db2.gz QSMVDYQSDIJURS-MRXNPFEDSA-N 0 3 314.385 3.313 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CC1CCCC1 ZINC001032661018 660408719 /nfs/dbraw/zinc/40/87/19/660408719.db2.gz NIECZOKSLWCVPZ-SQNIBIBYSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)(C)C)c1 ZINC001032694997 660413827 /nfs/dbraw/zinc/41/38/27/660413827.db2.gz UWFIKMRSDIGBCQ-ROUUACIJSA-N 0 3 312.457 3.459 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC000999393791 660417286 /nfs/dbraw/zinc/41/72/86/660417286.db2.gz PCOOPKPYMNNCDO-HIFPTAJRSA-N 0 3 312.866 3.183 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC000999407818 660417773 /nfs/dbraw/zinc/41/77/73/660417773.db2.gz XDPTWJCVAMSEDC-UHFFFAOYSA-N 0 3 321.852 3.227 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC000999761340 660426577 /nfs/dbraw/zinc/42/65/77/660426577.db2.gz FPJUAVNHKGVTER-UHFFFAOYSA-N 0 3 318.751 3.162 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC000999882189 660430380 /nfs/dbraw/zinc/43/03/80/660430380.db2.gz DNZQMYZHFXSIRZ-AXJCJWBSSA-N 0 3 310.869 3.144 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC000999877413 660430450 /nfs/dbraw/zinc/43/04/50/660430450.db2.gz TVSOXXIMOSRHBT-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)s1 ZINC001032730919 660434954 /nfs/dbraw/zinc/43/49/54/660434954.db2.gz TVFZCRSAFSUDGA-JYJNAYRXSA-N 0 3 318.486 3.411 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCCC2 ZINC001032766832 660441813 /nfs/dbraw/zinc/44/18/13/660441813.db2.gz SCVVXIICTFFIKC-PMACEKPBSA-N 0 3 324.468 3.430 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC(C)C)cc1 ZINC001032774651 660442823 /nfs/dbraw/zinc/44/28/23/660442823.db2.gz MZEXZPWXSGYWAO-OALUTQOASA-N 0 3 312.457 3.360 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001000248762 660443528 /nfs/dbraw/zinc/44/35/28/660443528.db2.gz LISZKULVEUWUNY-DLBZAZTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(F)c1 ZINC001032792185 660447412 /nfs/dbraw/zinc/44/74/12/660447412.db2.gz TXLATDVBRVVSPS-JLSDUUJJSA-N 0 3 316.420 3.181 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001032807804 660452166 /nfs/dbraw/zinc/45/21/66/660452166.db2.gz YQOYKBFRXDEVRB-OKZBNKHCSA-N 0 3 316.420 3.181 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(c2ccccc2)C1 ZINC001032812354 660453808 /nfs/dbraw/zinc/45/38/08/660453808.db2.gz ZLLWBOSCNWHAHC-BTRQGYIVSA-N 0 3 310.441 3.041 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCC1(C)C ZINC001032821614 660458387 /nfs/dbraw/zinc/45/83/87/660458387.db2.gz SIYBYTIATJRGGQ-ULQDDVLXSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC001004394030 660548042 /nfs/dbraw/zinc/54/80/42/660548042.db2.gz FOGCCCSAOCBKGO-JTGQJZMRSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001004404633 660548873 /nfs/dbraw/zinc/54/88/73/660548873.db2.gz XXLHEOQHMRMFJX-JILDMTJUSA-N 0 3 310.869 3.408 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1 ZINC001033115620 660549510 /nfs/dbraw/zinc/54/95/10/660549510.db2.gz ZVYUCYGAESJCHP-NSHDSACASA-N 0 3 316.323 3.021 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCC3)CC[C@@H]2C1 ZINC000946640905 660562829 /nfs/dbraw/zinc/56/28/29/660562829.db2.gz XKOWBFBMQXXBTB-OIISXLGYSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cocc3C)CC[C@@H]2C1 ZINC000946715691 660577845 /nfs/dbraw/zinc/57/78/45/660577845.db2.gz FSRACIVKJCYJIL-GASCZTMLSA-N 0 3 322.836 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(C(C)C)c2)C1 ZINC001033230587 660593971 /nfs/dbraw/zinc/59/39/71/660593971.db2.gz NOPKWHLWGUUAFE-LJQANCHMSA-N 0 3 314.473 3.461 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3(C)CC(=C)C3)CC[C@@H]2C1 ZINC000946770302 660595029 /nfs/dbraw/zinc/59/50/29/660595029.db2.gz KTSVULAXAZDJSP-IYBDPMFKSA-N 0 3 322.880 3.266 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(-n3cccc3)c2)C1 ZINC001033236041 660595410 /nfs/dbraw/zinc/59/54/10/660595410.db2.gz WFKPFVDSZNRTIO-LJQANCHMSA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033277546 660603216 /nfs/dbraw/zinc/60/32/16/660603216.db2.gz XUFHBYBNPMFFTR-WSTZPKSXSA-N 0 3 312.457 3.073 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2coc3cc(C)c(C)cc32)C1 ZINC001033298922 660605706 /nfs/dbraw/zinc/60/57/06/660605706.db2.gz ONWZJYQHHFPCLK-MRXNPFEDSA-N 0 3 324.424 3.219 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)C)CCN1Cc1ccc(C#N)cc1 ZINC000947962794 660609730 /nfs/dbraw/zinc/60/97/30/660609730.db2.gz OJBOWSBFVHTJEU-YOEHRIQHSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2F)C1 ZINC001033446773 660622375 /nfs/dbraw/zinc/62/23/75/660622375.db2.gz BAMDCZUPKZGSDX-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3cc(F)ccc3o2)C1 ZINC001033473282 660627310 /nfs/dbraw/zinc/62/73/10/660627310.db2.gz MMUWQCUJVVUGSW-HNNXBMFYSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001033511795 660629157 /nfs/dbraw/zinc/62/91/57/660629157.db2.gz CURGKVCFUSAAFN-ZBFHGGJFSA-N 0 3 304.434 3.109 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033499743 660629175 /nfs/dbraw/zinc/62/91/75/660629175.db2.gz PKYORLUTQVTKKS-NZSAHSFTSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033521204 660630636 /nfs/dbraw/zinc/63/06/36/660630636.db2.gz IIGJYPOMBNAQAE-QZTJIDSGSA-N 0 3 312.457 3.215 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033586301 660634738 /nfs/dbraw/zinc/63/47/38/660634738.db2.gz USAIDXXWYAHVPO-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001033603908 660637506 /nfs/dbraw/zinc/63/75/06/660637506.db2.gz XAWXHEQLUXLGPS-RTBURBONSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc3ccccc3c2)C1 ZINC001033642818 660645318 /nfs/dbraw/zinc/64/53/18/660645318.db2.gz PPYJTANXVJMJJF-HXUWFJFHSA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(CC)s2)C1 ZINC001033643709 660645401 /nfs/dbraw/zinc/64/54/01/660645401.db2.gz CNCRBTWDDWZPIZ-CQSZACIVSA-N 0 3 306.475 3.341 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001033675915 660648617 /nfs/dbraw/zinc/64/86/17/660648617.db2.gz NLRSUZFOLUPJDL-OIAUPDTQSA-N 0 3 316.489 3.168 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3cc(C)ccc3o2)C1 ZINC001033684112 660649503 /nfs/dbraw/zinc/64/95/03/660649503.db2.gz CYSYZDUZWXXLBN-INIZCTEOSA-N 0 3 312.413 3.464 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(CC)oc3ccccc32)C1 ZINC001033689068 660651508 /nfs/dbraw/zinc/65/15/08/660651508.db2.gz WTYKJDRWHQHWEA-HNNXBMFYSA-N 0 3 324.424 3.165 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033711167 660654159 /nfs/dbraw/zinc/65/41/59/660654159.db2.gz MQJGIAHKZKNHRE-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cscc2C(F)F)CC1 ZINC001005399946 660669462 /nfs/dbraw/zinc/66/94/62/660669462.db2.gz WCEYPSWSBBQGFO-UHFFFAOYSA-N 0 3 314.401 3.408 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3ncccc32)C1 ZINC001033915663 660677396 /nfs/dbraw/zinc/67/73/96/660677396.db2.gz MODCBNZBJMWVJS-MRXNPFEDSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033934859 660682879 /nfs/dbraw/zinc/68/28/79/660682879.db2.gz YYGJRHYGHIBHSB-KRWDZBQOSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2nccc3ccccc32)C1 ZINC001033942414 660685204 /nfs/dbraw/zinc/68/52/04/660685204.db2.gz MEMKMGQAGXYNMB-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc3sccc3[nH]2)C1 ZINC001034008076 660695372 /nfs/dbraw/zinc/69/53/72/660695372.db2.gz YRXQECFZQVHYQA-ZDUSSCGKSA-N 0 3 317.458 3.342 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001034014090 660693628 /nfs/dbraw/zinc/69/36/28/660693628.db2.gz BECXIWSIOUQZHS-QGZVFWFLSA-N 0 3 317.477 3.326 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034039782 660698728 /nfs/dbraw/zinc/69/87/28/660698728.db2.gz PMSVZRRDGXJEDY-INIZCTEOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cncc3ccccc32)C1 ZINC001034046956 660701285 /nfs/dbraw/zinc/70/12/85/660701285.db2.gz WNGLFLQFCDPVSZ-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034027355 660695812 /nfs/dbraw/zinc/69/58/12/660695812.db2.gz ZMWZBRZWLLCSGW-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001034237133 660728303 /nfs/dbraw/zinc/72/83/03/660728303.db2.gz QWXCIYVLISXJAD-HNNXBMFYSA-N 0 3 318.486 3.308 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001034273770 660731392 /nfs/dbraw/zinc/73/13/92/660731392.db2.gz RBLOFJNTNCDEIY-OWCLPIDISA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@H]2CCCCN(CC=C)C2)cc1 ZINC001034276970 660731721 /nfs/dbraw/zinc/73/17/21/660731721.db2.gz UJYTUEPHZSUQKY-KRWDZBQOSA-N 0 3 314.429 3.022 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccnc(CCC)c2)CC1 ZINC001005536865 660733035 /nfs/dbraw/zinc/73/30/35/660733035.db2.gz FNXJFNPGGAKXHZ-UHFFFAOYSA-N 0 3 315.461 3.147 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001034299035 660734217 /nfs/dbraw/zinc/73/42/17/660734217.db2.gz ZYCUJNOPOPTLJO-QGZVFWFLSA-N 0 3 317.477 3.285 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001034299736 660734292 /nfs/dbraw/zinc/73/42/92/660734292.db2.gz DDYFOTLELDYXFO-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001034360302 660743193 /nfs/dbraw/zinc/74/31/93/660743193.db2.gz QDTJLRNGGPLDOI-HNNXBMFYSA-N 0 3 303.450 3.128 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001034376672 660744833 /nfs/dbraw/zinc/74/48/33/660744833.db2.gz YCHHHEVFMMNLLU-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001034377335 660745098 /nfs/dbraw/zinc/74/50/98/660745098.db2.gz SIPNSSXUGOWNMT-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001034394170 660747151 /nfs/dbraw/zinc/74/71/51/660747151.db2.gz LSJZUFRDWNHAEN-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001034411146 660749787 /nfs/dbraw/zinc/74/97/87/660749787.db2.gz PQINWCQGYMNSKF-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCCN1CCCC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001034432117 660753476 /nfs/dbraw/zinc/75/34/76/660753476.db2.gz NJFJKUFDEZNWBY-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034435034 660753824 /nfs/dbraw/zinc/75/38/24/660753824.db2.gz RLWZLZJTRBXVLG-ZDUSSCGKSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001034440240 660754604 /nfs/dbraw/zinc/75/46/04/660754604.db2.gz SVOSQDIGSKGVDG-NZSAHSFTSA-N 0 3 312.457 3.255 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001034537151 660767691 /nfs/dbraw/zinc/76/76/91/660767691.db2.gz GFCDNUMAWVJQFB-INIZCTEOSA-N 0 3 303.450 3.229 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034519861 660768245 /nfs/dbraw/zinc/76/82/45/660768245.db2.gz RIJGFBQLCIWFIG-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034519854 660768289 /nfs/dbraw/zinc/76/82/89/660768289.db2.gz RIJGFBQLCIWFIG-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC001034548812 660773223 /nfs/dbraw/zinc/77/32/23/660773223.db2.gz GYOLBUKGNSVZBS-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc(F)c1C)CC2 ZINC001035709886 660846149 /nfs/dbraw/zinc/84/61/49/660846149.db2.gz MLQRABDVTKFDPT-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@@H]1CC)CC2 ZINC001035733975 660847904 /nfs/dbraw/zinc/84/79/04/660847904.db2.gz MCKABCOXFOIOCV-HKUYNNGSSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)CC1(C)CCCCC1)CC2 ZINC001035749433 660850931 /nfs/dbraw/zinc/85/09/31/660850931.db2.gz OLBNERDEYDMQOH-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)cc(F)c1)CC2 ZINC001035802519 660854408 /nfs/dbraw/zinc/85/44/08/660854408.db2.gz NIPAHJQXAOFBIP-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc(C)c1C)CC2 ZINC001035846084 660855769 /nfs/dbraw/zinc/85/57/69/660855769.db2.gz YJQXOQBWNCUMAU-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CCC=CCC1)CC2 ZINC001035853802 660859817 /nfs/dbraw/zinc/85/98/17/660859817.db2.gz CEEKEBYVUUDHDT-UHFFFAOYSA-N 0 3 302.462 3.233 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707918551 660915669 /nfs/dbraw/zinc/91/56/69/660915669.db2.gz GDJKLINJUDDMLC-AJNGGQMLSA-N 0 3 307.438 3.056 20 30 DGEDHN CC(C)CC(=O)N1CC[C@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036627099 660937203 /nfs/dbraw/zinc/93/72/03/660937203.db2.gz HQDHTRONBCEPIJ-PMACEKPBSA-N 0 3 324.468 3.007 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC[C@@H]2C1 ZINC000946843356 660943909 /nfs/dbraw/zinc/94/39/09/660943909.db2.gz YMGMZHBQSZMWTP-TWMKSMIVSA-N 0 3 324.896 3.201 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC001006152792 660966118 /nfs/dbraw/zinc/96/61/18/660966118.db2.gz VHMXZXOIXNFKED-AWEZNQCLSA-N 0 3 304.434 3.109 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC001006289210 660972893 /nfs/dbraw/zinc/97/28/93/660972893.db2.gz KCESGXSVOOEZBI-AWEZNQCLSA-N 0 3 306.475 3.269 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000794677749 661097991 /nfs/dbraw/zinc/09/79/91/661097991.db2.gz YGAYFQOWBYMTQI-PYLYDXJYSA-N 0 3 304.434 3.330 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cnn(CC)c2)c([O-])c1 ZINC000794677653 661098156 /nfs/dbraw/zinc/09/81/56/661098156.db2.gz XFRTXWYKISYXFX-PDGQHHTCSA-N 0 3 300.406 3.074 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccnc2F)c([O-])c1 ZINC000794832322 661107963 /nfs/dbraw/zinc/10/79/63/661107963.db2.gz HGDXRKHXDLLGOG-YBFXNURJSA-N 0 3 301.365 3.392 20 30 DGEDHN COC[C@H](C)NN=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794926646 661113824 /nfs/dbraw/zinc/11/38/24/661113824.db2.gz DISZSMVUJQGDKZ-INIZCTEOSA-N 0 3 323.440 3.208 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=S)NC1CCN(C)CC1 ZINC000794999643 661120375 /nfs/dbraw/zinc/12/03/75/661120375.db2.gz NXWSELFBCJSPCZ-UHFFFAOYSA-N 0 3 317.502 3.033 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3nc2C)C[C@H]1C ZINC000947365617 655524868 /nfs/dbraw/zinc/52/48/68/655524868.db2.gz PWEIWPKOXMYJQG-RHSMWYFYSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC000969122189 655525769 /nfs/dbraw/zinc/52/57/69/655525769.db2.gz YYLYYSUBKXZCPA-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccccc1OCC ZINC000969133409 655527130 /nfs/dbraw/zinc/52/71/30/655527130.db2.gz LPMHUZQTTHMZCB-INIZCTEOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC000969141732 655527698 /nfs/dbraw/zinc/52/76/98/655527698.db2.gz KMBIQURDEGASBD-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC000969137020 655527775 /nfs/dbraw/zinc/52/77/75/655527775.db2.gz UHFGWBDLWPETKB-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000969156373 655529256 /nfs/dbraw/zinc/52/92/56/655529256.db2.gz RGGIQBAMCZSMBD-HIEASXQVSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC000969164142 655530087 /nfs/dbraw/zinc/53/00/87/655530087.db2.gz KYCGIMSCZMEGPP-SFHVURJKSA-N 0 3 324.468 3.173 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC000969585408 655551421 /nfs/dbraw/zinc/55/14/21/655551421.db2.gz VLWWWFYUQPTFEC-UONOGXRCSA-N 0 3 304.409 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC000969584211 655551567 /nfs/dbraw/zinc/55/15/67/655551567.db2.gz DZLPXMBNWRUASO-LLVKDONJSA-N 0 3 312.866 3.304 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC000969659720 655554684 /nfs/dbraw/zinc/55/46/84/655554684.db2.gz ISDHDVANTDNRSD-NUEKZKHPSA-N 0 3 318.486 3.173 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001020718240 655571692 /nfs/dbraw/zinc/57/16/92/655571692.db2.gz LMJUNFXJJQZMJQ-KONPQCLYSA-N 0 3 318.848 3.170 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC000970070550 655571760 /nfs/dbraw/zinc/57/17/60/655571760.db2.gz IMHWYYHMTJZBDT-MRXNPFEDSA-N 0 3 323.440 3.104 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001020924089 655581775 /nfs/dbraw/zinc/58/17/75/655581775.db2.gz PHIIPCPCZBCREX-JHJVBQTASA-N 0 3 312.866 3.149 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001020972466 655584114 /nfs/dbraw/zinc/58/41/14/655584114.db2.gz UERMYEXNFMBJTB-QAQDUYKDSA-N 0 3 314.816 3.443 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001021018391 655586817 /nfs/dbraw/zinc/58/68/17/655586817.db2.gz RYFATSZGOYWWAC-SHTZXODSSA-N 0 3 306.837 3.215 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)cc(F)cc2C)C1 ZINC000970261634 655591094 /nfs/dbraw/zinc/59/10/94/655591094.db2.gz LPXGEBOXAGZVIX-CQSZACIVSA-N 0 3 304.409 3.069 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC000970365427 655596683 /nfs/dbraw/zinc/59/66/83/655596683.db2.gz CQORSYJPSCJISG-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC000970479888 655602123 /nfs/dbraw/zinc/60/21/23/655602123.db2.gz KATZGDIKORMNIX-USXIJHARSA-N 0 3 304.478 3.215 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000255161085 655617173 /nfs/dbraw/zinc/61/71/73/655617173.db2.gz RWTIWIWCXASDAJ-WOWWPHLJSA-N 0 3 316.445 3.471 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC000970836019 655628081 /nfs/dbraw/zinc/62/80/81/655628081.db2.gz MRQNOLMXLADLMP-KLHKWILBSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C[C@@H]1C ZINC000947409807 655628393 /nfs/dbraw/zinc/62/83/93/655628393.db2.gz XKODYENLSGAPCL-QWHCGFSZSA-N 0 3 324.371 3.132 20 30 DGEDHN COc1ccccc1C(C)(C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000177729899 655632703 /nfs/dbraw/zinc/63/27/03/655632703.db2.gz WRIIDBOFPBIGHN-KRWDZBQOSA-N 0 3 310.397 3.125 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2csc(C)c2)C1 ZINC001039230806 655634459 /nfs/dbraw/zinc/63/44/59/655634459.db2.gz MQOIEFMGYUUNFU-NVXWUHKLSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2(C)CCCC2)C1 ZINC001021577461 655635813 /nfs/dbraw/zinc/63/58/13/655635813.db2.gz GUJFJKJNNYXHJS-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C[C@@H]1C ZINC000947417249 655637489 /nfs/dbraw/zinc/63/74/89/655637489.db2.gz NZMNYTVGTJKQNI-QWHCGFSZSA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000970968035 655644780 /nfs/dbraw/zinc/64/47/80/655644780.db2.gz KHIILEHJMGTULF-OAHLLOKOSA-N 0 3 323.440 3.308 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC000970996021 655648552 /nfs/dbraw/zinc/64/85/52/655648552.db2.gz FUCXVCZSLWSNIH-OAHLLOKOSA-N 0 3 314.473 3.438 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C(C)C)cc2)C1 ZINC001021722764 655664298 /nfs/dbraw/zinc/66/42/98/655664298.db2.gz QDQOZNGFUGYVLA-WOJBJXKFSA-N 0 3 324.468 3.370 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CCC(C)(C)CC2)C1 ZINC001021744252 655669556 /nfs/dbraw/zinc/66/95/56/655669556.db2.gz VYDKEHIDHNVAQH-ROUUACIJSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sc1C ZINC001039401023 655696758 /nfs/dbraw/zinc/69/67/58/655696758.db2.gz GDAFIPJKFJVXJC-CVEARBPZSA-N 0 3 316.470 3.067 20 30 DGEDHN CC(C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1)=C1CCC1 ZINC000971507004 655702121 /nfs/dbraw/zinc/70/21/21/655702121.db2.gz DQYLDMCNGVSUKB-IBGZPJMESA-N 0 3 323.440 3.091 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC000971551413 655704613 /nfs/dbraw/zinc/70/46/13/655704613.db2.gz IXJNYCYZIXWZHB-NSHDSACASA-N 0 3 312.335 3.096 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000971640861 655715213 /nfs/dbraw/zinc/71/52/13/655715213.db2.gz KHPNODUYUUOENO-MRXNPFEDSA-N 0 3 318.848 3.090 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000971681394 655721052 /nfs/dbraw/zinc/72/10/52/655721052.db2.gz CRLUFXGBYCPGLR-CQSZACIVSA-N 0 3 316.376 3.213 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000971693391 655721786 /nfs/dbraw/zinc/72/17/86/655721786.db2.gz OXMIDFULVAPZAL-SFHVURJKSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001022410797 655736586 /nfs/dbraw/zinc/73/65/86/655736586.db2.gz AMIWZJYJZMIZKF-TXEJJXNPSA-N 0 3 320.776 3.143 20 30 DGEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1OC ZINC001039460899 655738530 /nfs/dbraw/zinc/73/85/30/655738530.db2.gz LXQMDYLXYNRMND-KGLIPLIRSA-N 0 3 320.458 3.012 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC000972003241 655753909 /nfs/dbraw/zinc/75/39/09/655753909.db2.gz VNTFVCFTMRDIKV-CYBMUJFWSA-N 0 3 316.376 3.213 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001022695881 655767608 /nfs/dbraw/zinc/76/76/08/655767608.db2.gz QPMDZAUPAUBZLJ-OKILXGFUSA-N 0 3 318.848 3.341 20 30 DGEDHN N#CC(C(=O)CCc1ccccc1Cl)C(=O)NC1CCCC1 ZINC000051651323 655775757 /nfs/dbraw/zinc/77/57/57/655775757.db2.gz GDFPFNJDEFMCKQ-AWEZNQCLSA-N 0 3 318.804 3.040 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC000972292858 655786205 /nfs/dbraw/zinc/78/62/05/655786205.db2.gz WTUIPIRBKGNURK-WMLDXEAASA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001022810411 655791142 /nfs/dbraw/zinc/79/11/42/655791142.db2.gz SIQOHRRKAQPFRH-DTORHVGOSA-N 0 3 305.230 3.004 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c3ccccc23)C1 ZINC000972434666 655798085 /nfs/dbraw/zinc/79/80/85/655798085.db2.gz YYDAESNLAVTEQU-INIZCTEOSA-N 0 3 308.425 3.481 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC000972453447 655800613 /nfs/dbraw/zinc/80/06/13/655800613.db2.gz LTYBONSUNMEDHZ-HOCLYGCPSA-N 0 3 320.864 3.237 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001022989013 655806977 /nfs/dbraw/zinc/80/69/77/655806977.db2.gz RYBOIEWBYZBCTB-GASCZTMLSA-N 0 3 324.827 3.093 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)C[C@H]1C ZINC000947532976 655807100 /nfs/dbraw/zinc/80/71/00/655807100.db2.gz OVDQIFLIUUDVRB-OLZOCXBDSA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001023166481 655815905 /nfs/dbraw/zinc/81/59/05/655815905.db2.gz XODWMRSYXATWKA-GASCZTMLSA-N 0 3 318.848 3.016 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3c2CCCCC3)C1 ZINC001023434758 655833605 /nfs/dbraw/zinc/83/36/05/655833605.db2.gz PTQNMZQIBNWGBI-KRWDZBQOSA-N 0 3 324.468 3.031 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C[C@H]1C ZINC000947573025 655847135 /nfs/dbraw/zinc/84/71/35/655847135.db2.gz WZPDIUWFQXTXEM-NVXWUHKLSA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001023654010 655852906 /nfs/dbraw/zinc/85/29/06/655852906.db2.gz OVUGCOVGVCQKKB-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001023716635 655856792 /nfs/dbraw/zinc/85/67/92/655856792.db2.gz OVRGAGPJFHMTRF-MRXNPFEDSA-N 0 3 312.457 3.059 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC001023716453 655856823 /nfs/dbraw/zinc/85/68/23/655856823.db2.gz NAWPMVTZKWPHJZ-LBPRGKRZSA-N 0 3 310.800 3.107 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC001023727876 655858092 /nfs/dbraw/zinc/85/80/92/655858092.db2.gz WFUBKCNOVRLALF-INIZCTEOSA-N 0 3 310.441 3.029 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001023759863 655862413 /nfs/dbraw/zinc/86/24/13/655862413.db2.gz LYVIFSYWVCHCJB-AWEZNQCLSA-N 0 3 318.486 3.121 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001023769043 655863524 /nfs/dbraw/zinc/86/35/24/655863524.db2.gz XLGLCPDSYQOFKU-HNNXBMFYSA-N 0 3 318.486 3.337 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC000972734382 655875460 /nfs/dbraw/zinc/87/54/60/655875460.db2.gz XWUFTJUEUKOCGE-IEBWSBKVSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001024136047 655889139 /nfs/dbraw/zinc/88/91/39/655889139.db2.gz SLQNXQVODGVUMK-YOEHRIQHSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024452986 655906462 /nfs/dbraw/zinc/90/64/62/655906462.db2.gz SXCOSHVNQFRQND-XMTFNYHQSA-N 0 3 302.462 3.136 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001024450775 655906829 /nfs/dbraw/zinc/90/68/29/655906829.db2.gz QTRJBMLGCYIEQQ-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024505398 655911701 /nfs/dbraw/zinc/91/17/01/655911701.db2.gz BVWKXTNCCRUPEP-MSOLQXFVSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001024553490 655916235 /nfs/dbraw/zinc/91/62/35/655916235.db2.gz BGTVPWPRVHDJSS-QGZVFWFLSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001024570189 655918492 /nfs/dbraw/zinc/91/84/92/655918492.db2.gz JMLXBFVNGYENJC-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN CCCCNC(=O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000065981055 655922895 /nfs/dbraw/zinc/92/28/95/655922895.db2.gz OEQWBASGSKQKRT-UHFFFAOYSA-N 0 3 321.424 3.378 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001024620951 655924895 /nfs/dbraw/zinc/92/48/95/655924895.db2.gz GMVSLVGDLPGPSB-FUHWJXTLSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001024631598 655926496 /nfs/dbraw/zinc/92/64/96/655926496.db2.gz NSCQTMJTDQPQOT-MRXNPFEDSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001024673560 655928580 /nfs/dbraw/zinc/92/85/80/655928580.db2.gz MRTHQMNNGUFBSP-INDMIFKZSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001024681364 655930084 /nfs/dbraw/zinc/93/00/84/655930084.db2.gz OPDXLTJJJHGQOL-SFHVURJKSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001024681363 655930141 /nfs/dbraw/zinc/93/01/41/655930141.db2.gz OPDXLTJJJHGQOL-GOSISDBHSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001024689406 655930459 /nfs/dbraw/zinc/93/04/59/655930459.db2.gz FPUKFLRHGYAOLS-GFCCVEGCSA-N 0 3 310.850 3.009 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001024702210 655931862 /nfs/dbraw/zinc/93/18/62/655931862.db2.gz QDWUUEBMSCINSM-FQEVSTJZSA-N 0 3 322.452 3.254 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3scnc32)C[C@@H]1C ZINC000947307145 655933792 /nfs/dbraw/zinc/93/37/92/655933792.db2.gz WGZYKOMXEXTKLE-QWHCGFSZSA-N 0 3 315.442 3.065 20 30 DGEDHN CC(C)c1nnc(CCC(=O)C(C#N)c2nc3ccccc3o2)o1 ZINC000177606760 655934903 /nfs/dbraw/zinc/93/49/03/655934903.db2.gz HYIQEQUVBNVMHZ-LLVKDONJSA-N 0 3 324.340 3.143 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001024752669 655935561 /nfs/dbraw/zinc/93/55/61/655935561.db2.gz TWNSQZOXDGXKSM-HNNXBMFYSA-N 0 3 318.465 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001024752669 655935562 /nfs/dbraw/zinc/93/55/62/655935562.db2.gz TWNSQZOXDGXKSM-HNNXBMFYSA-N 0 3 318.465 3.002 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001024766654 655936727 /nfs/dbraw/zinc/93/67/27/655936727.db2.gz VGWCNVRUXRRDIC-MRXNPFEDSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001024777044 655938231 /nfs/dbraw/zinc/93/82/31/655938231.db2.gz DYSDAECFHCNQBZ-ZDUSSCGKSA-N 0 3 317.458 3.390 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001024789305 655939522 /nfs/dbraw/zinc/93/95/22/655939522.db2.gz VHDQVQMSKKYNGG-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001024791120 655939806 /nfs/dbraw/zinc/93/98/06/655939806.db2.gz VBQGJYGQXLYXBI-FQEVSTJZSA-N 0 3 324.468 3.173 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001024802865 655940330 /nfs/dbraw/zinc/94/03/30/655940330.db2.gz BMZSQKVMLVGPPQ-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001024804098 655940486 /nfs/dbraw/zinc/94/04/86/655940486.db2.gz PJWWALRVTIYCMW-MRXNPFEDSA-N 0 3 303.450 3.229 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001024819461 655941605 /nfs/dbraw/zinc/94/16/05/655941605.db2.gz PDPLZNPUSQELNP-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cncc3sccc32)C[C@@H]1C ZINC000947649612 655948465 /nfs/dbraw/zinc/94/84/65/655948465.db2.gz SRTAVLXFSNUMJZ-STQMWFEESA-N 0 3 315.442 3.065 20 30 DGEDHN C#C[C@@H](C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229690091 655959694 /nfs/dbraw/zinc/95/96/94/655959694.db2.gz CTCVLBKVXQNPNQ-MRVPVSSYSA-N 0 3 322.124 3.459 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196289 655977057 /nfs/dbraw/zinc/97/70/57/655977057.db2.gz SKCCMISXYGSFLJ-PMACEKPBSA-N 0 3 324.468 3.477 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001025197900 655977439 /nfs/dbraw/zinc/97/74/39/655977439.db2.gz LNUDSGAKUNDNCC-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001025213832 655979511 /nfs/dbraw/zinc/97/95/11/655979511.db2.gz PJJXETAQQIZQJO-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001025243204 655984205 /nfs/dbraw/zinc/98/42/05/655984205.db2.gz ARGNJFMBXRBHQJ-PMACEKPBSA-N 0 3 324.468 3.098 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CCCC1 ZINC001025255114 655985942 /nfs/dbraw/zinc/98/59/42/655985942.db2.gz NSSGWWROAHLEFK-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CCCC1 ZINC001025255111 655985995 /nfs/dbraw/zinc/98/59/95/655985995.db2.gz NSSGWWROAHLEFK-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C1CC1 ZINC001025264246 655986238 /nfs/dbraw/zinc/98/62/38/655986238.db2.gz YOYQOPCSNJMRDV-MSOLQXFVSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001025429280 656011000 /nfs/dbraw/zinc/01/10/00/656011000.db2.gz BBMGCGPZNBSWRZ-OXQOHEQNSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cscc2Cl)C1 ZINC001025451461 656015301 /nfs/dbraw/zinc/01/53/01/656015301.db2.gz QSOKYNMLEFMOGT-QWHCGFSZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)oc(C)c2C)C1 ZINC001025477348 656019632 /nfs/dbraw/zinc/01/96/32/656019632.db2.gz GTIVLKIDKNKBAB-WMLDXEAASA-N 0 3 316.445 3.058 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2occc2C(C)C)C1 ZINC001025517814 656027504 /nfs/dbraw/zinc/02/75/04/656027504.db2.gz ALICDKYNSXITBF-HOTGVXAUSA-N 0 3 316.445 3.257 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001025520816 656028916 /nfs/dbraw/zinc/02/89/16/656028916.db2.gz AMNCVQGVQLORCG-GDBMZVCRSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC001025566655 656037633 /nfs/dbraw/zinc/03/76/33/656037633.db2.gz FOCGXBKFZFZLNL-GJZGRUSLSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2Cl)C1 ZINC001025600948 656043008 /nfs/dbraw/zinc/04/30/08/656043008.db2.gz PDUJQKIKDXWPCL-LSDHHAIUSA-N 0 3 318.848 3.194 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2Cl)C1 ZINC001025600946 656043020 /nfs/dbraw/zinc/04/30/20/656043020.db2.gz PDUJQKIKDXWPCL-GJZGRUSLSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001025603090 656044746 /nfs/dbraw/zinc/04/47/46/656044746.db2.gz QKXHDZAOGINGPV-VQIMIIECSA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001025614002 656047490 /nfs/dbraw/zinc/04/74/90/656047490.db2.gz DXRISYGULZXSBG-ROUUACIJSA-N 0 3 312.457 3.075 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC001025632496 656053078 /nfs/dbraw/zinc/05/30/78/656053078.db2.gz LFPARFGROFXHOI-QAPCUYQASA-N 0 3 316.420 3.010 20 30 DGEDHN CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036876103 661219773 /nfs/dbraw/zinc/21/97/73/661219773.db2.gz KVFZADSLRVWLTM-MOPGFXCFSA-N 0 3 324.468 3.007 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccccc1 ZINC000122683562 656078725 /nfs/dbraw/zinc/07/87/25/656078725.db2.gz VYECUIVYSZMLPL-OAHLLOKOSA-N 0 3 303.365 3.382 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(CCCC)CC1 ZINC001026144872 656084384 /nfs/dbraw/zinc/08/43/84/656084384.db2.gz DJDQFUXGDXLGQC-JREVHRFXSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2F)C[C@@H]1C ZINC000947671602 656113160 /nfs/dbraw/zinc/11/31/60/656113160.db2.gz NGRHABZTSQPVMZ-RYUDHWBXSA-N 0 3 310.800 3.248 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(C)cc2Cl)C(C)(C)C1 ZINC000974741245 656226835 /nfs/dbraw/zinc/22/68/35/656226835.db2.gz IDKFTZVEPQSKLS-MRXNPFEDSA-N 0 3 320.864 3.204 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cccc2Cl)C(C)(C)C1 ZINC000974766112 656228361 /nfs/dbraw/zinc/22/83/61/656228361.db2.gz KEXYPCRROFTDRM-MRXNPFEDSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3cccnc32)C(C)(C)C1 ZINC000974778560 656228976 /nfs/dbraw/zinc/22/89/76/656228976.db2.gz CSNMOXYLUPNOHR-QGZVFWFLSA-N 0 3 323.440 3.251 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2CCCCCCC2)C(C)(C)C1 ZINC000974801980 656230006 /nfs/dbraw/zinc/23/00/06/656230006.db2.gz OOFLKZAJJTUJDF-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)n(CC)c2C)C(C)(C)C1 ZINC000974787960 656230150 /nfs/dbraw/zinc/23/01/50/656230150.db2.gz GTMZSKBCEYLYHP-KRWDZBQOSA-N 0 3 317.477 3.141 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C(C)(C)C1 ZINC000974834670 656233524 /nfs/dbraw/zinc/23/35/24/656233524.db2.gz YVWHSBYBSRFOLK-OALUTQOASA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3ncccc32)C(C)(C)C1 ZINC000974877368 656237257 /nfs/dbraw/zinc/23/72/57/656237257.db2.gz GHHMQQURTOBIOO-GOSISDBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C(C)(C)C1 ZINC000974987219 656248517 /nfs/dbraw/zinc/24/85/17/656248517.db2.gz KUVVUNIQFKIZQY-GOSISDBHSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C(C)(C)C1 ZINC000975025275 656249766 /nfs/dbraw/zinc/24/97/66/656249766.db2.gz DZYWPZAJCYQCII-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3ncccc3c2)C(C)(C)C1 ZINC000975012336 656250322 /nfs/dbraw/zinc/25/03/22/656250322.db2.gz ZKGXVRYLYJIWQM-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975064258 656252418 /nfs/dbraw/zinc/25/24/18/656252418.db2.gz KGRAGUNUROIXKF-MRXNPFEDSA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C(C)(C)C1 ZINC000975093558 656257454 /nfs/dbraw/zinc/25/74/54/656257454.db2.gz KOKDGKUEXFDOBK-QGZVFWFLSA-N 0 3 311.429 3.184 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC001027464846 656311286 /nfs/dbraw/zinc/31/12/86/656311286.db2.gz IEDASLQRNIXOMT-GFCCVEGCSA-N 0 3 318.467 3.132 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977270560 656319693 /nfs/dbraw/zinc/31/96/93/656319693.db2.gz CLCACERHLUURAE-SQNIBIBYSA-N 0 3 312.457 3.193 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)oc2C)C(C)(C)C1 ZINC000977427789 656329185 /nfs/dbraw/zinc/32/91/85/656329185.db2.gz XETOZHVWUIFNBY-KRWDZBQOSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(C3CCC3)c2)C(C)(C)C1 ZINC000977452058 656330484 /nfs/dbraw/zinc/33/04/84/656330484.db2.gz KJVNRZWGVOLWMI-IBGZPJMESA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977491055 656334887 /nfs/dbraw/zinc/33/48/87/656334887.db2.gz CLCACERHLUURAE-RCCFBDPRSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2Cl)C(C)(C)C1 ZINC000977524344 656338540 /nfs/dbraw/zinc/33/85/40/656338540.db2.gz OOSKWSVCLRDJLF-OAHLLOKOSA-N 0 3 306.837 3.356 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2OCC)C(C)(C)C1 ZINC000977537402 656340410 /nfs/dbraw/zinc/34/04/10/656340410.db2.gz AGRTUKOWEOXFEY-KRWDZBQOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)c(C)s2)C(C)(C)C1 ZINC000977566613 656345735 /nfs/dbraw/zinc/34/57/35/656345735.db2.gz LTVZOLQSMKVBQE-OAHLLOKOSA-N 0 3 306.475 3.381 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001038755226 656367566 /nfs/dbraw/zinc/36/75/66/656367566.db2.gz YATKRVFAVOADDI-LBPRGKRZSA-N 0 3 310.800 3.249 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)c3ccccc23)C1 ZINC001027595576 656370168 /nfs/dbraw/zinc/37/01/68/656370168.db2.gz BTGHGMHWFFOUKR-KRWDZBQOSA-N 0 3 320.436 3.318 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC001027661063 656389837 /nfs/dbraw/zinc/38/98/37/656389837.db2.gz YUZDGDZEZQJXNM-LJQANCHMSA-N 0 3 306.409 3.009 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001027669481 656391176 /nfs/dbraw/zinc/39/11/76/656391176.db2.gz LQQCJNPJPRYDAH-QGZVFWFLSA-N 0 3 306.409 3.009 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001027692051 656396306 /nfs/dbraw/zinc/39/63/06/656396306.db2.gz ZTNQWTRYYWORTR-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(CC)c(C)s2)CC1 ZINC001006385457 661262431 /nfs/dbraw/zinc/26/24/31/661262431.db2.gz WOMARGYPAQSDET-UHFFFAOYSA-N 0 3 306.475 3.341 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3=CCCC3)C[C@H]2C1 ZINC000979609396 656437274 /nfs/dbraw/zinc/43/72/74/656437274.db2.gz AWCQKLBGVONFDD-JYJNAYRXSA-N 0 3 308.853 3.066 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001052451563 656437279 /nfs/dbraw/zinc/43/72/79/656437279.db2.gz LBXGXAJDQZISNU-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2cscc2Cl)CC1 ZINC001052467784 656438219 /nfs/dbraw/zinc/43/82/19/656438219.db2.gz RLUKZSOQSXPVPH-GFCCVEGCSA-N 0 3 310.850 3.009 20 30 DGEDHN 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CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)C3CCCC3)C2)C1 ZINC001040489454 656590775 /nfs/dbraw/zinc/59/07/75/656590775.db2.gz RMDZCRZWSJVFGD-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3cccc(C)c3C)C2)C1 ZINC001040514742 656593143 /nfs/dbraw/zinc/59/31/43/656593143.db2.gz FDMVJMUDWRFQSS-NRFANRHFSA-N 0 3 324.468 3.255 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC001040655663 656601320 /nfs/dbraw/zinc/60/13/20/656601320.db2.gz NIPNDDHAMNSQEH-UHFFFAOYSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)CC1 ZINC001040713968 656603504 /nfs/dbraw/zinc/60/35/04/656603504.db2.gz CUGLTYLPWYVYIR-GOSISDBHSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@]3(C)CC=CCC3)C2)CC1 ZINC001040715405 656604669 /nfs/dbraw/zinc/60/46/69/656604669.db2.gz SRGGBISYZHSDDA-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC3(C2)CCN(C[C@@H](F)CC)CC3)C1 ZINC001040840853 656611237 /nfs/dbraw/zinc/61/12/37/656611237.db2.gz 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CC#CCN1CC[C@@]2(CCN(C(=O)c3ccc(C4CC4)cc3)C2)C1 ZINC001041840222 656683482 /nfs/dbraw/zinc/68/34/82/656683482.db2.gz WDFJKVXEDKGZID-OAQYLSRUSA-N 0 3 322.452 3.125 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(C(C)C)s3)C2)C1 ZINC001041847738 656685361 /nfs/dbraw/zinc/68/53/61/656685361.db2.gz DCBBRIRARYBVDR-GOSISDBHSA-N 0 3 316.470 3.043 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)C1CCCCC1 ZINC001049778196 656685973 /nfs/dbraw/zinc/68/59/73/656685973.db2.gz MTVJUHBJRVYZAY-YTQUADARSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1csc(C(C)C)n1 ZINC001049789873 656687486 /nfs/dbraw/zinc/68/74/86/656687486.db2.gz IFNYXPSUBBCQPL-CABCVRRESA-N 0 3 319.474 3.131 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1coc2ccccc12 ZINC001049812491 656690517 /nfs/dbraw/zinc/69/05/17/656690517.db2.gz VZCDOFKNCKRXMW-MSOLQXFVSA-N 0 3 324.424 3.227 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2ccncc2c1 ZINC001049827514 656693369 /nfs/dbraw/zinc/69/33/69/656693369.db2.gz VTJQJDZAHKXNEY-RTBURBONSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccc(C)s1 ZINC001049838436 656695522 /nfs/dbraw/zinc/69/55/22/656695522.db2.gz CXQBDWNVLKMUNU-OWCLPIDISA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccc(C)s1 ZINC001049838429 656695611 /nfs/dbraw/zinc/69/56/11/656695611.db2.gz CXQBDWNVLKMUNU-BZUAXINKSA-N 0 3 318.486 3.411 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001049849375 656697874 /nfs/dbraw/zinc/69/78/74/656697874.db2.gz OVNQCMLWZMPWQN-RCCFBDPRSA-N 0 3 316.489 3.291 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccc(C)cc1 ZINC001049854339 656699394 /nfs/dbraw/zinc/69/93/94/656699394.db2.gz KMTACNOZBHCNSP-MISYRCLQSA-N 0 3 324.468 3.187 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)cc1 ZINC001049853947 656699650 /nfs/dbraw/zinc/69/96/50/656699650.db2.gz IQOWGLVWVTWIBI-JKSUJKDBSA-N 0 3 304.821 3.205 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(F)cccc1Cl 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DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)C[C@@H]21 ZINC001042068475 656718622 /nfs/dbraw/zinc/71/86/22/656718622.db2.gz XLFDXATXXUEABF-PXNSSMCTSA-N 0 3 324.468 3.288 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)C[C@H]21 ZINC001042068474 656718673 /nfs/dbraw/zinc/71/86/73/656718673.db2.gz XLFDXATXXUEABF-FXAWDEMLSA-N 0 3 324.468 3.288 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccccc3C(C)C)C[C@@H]21 ZINC001042081900 656720404 /nfs/dbraw/zinc/72/04/04/656720404.db2.gz DKZYURXZDGEOQC-PXNSSMCTSA-N 0 3 324.468 3.370 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C2CC2)c1 ZINC001049916675 656722096 /nfs/dbraw/zinc/72/20/96/656722096.db2.gz ISNIFTFAWUFBBY-WOJBJXKFSA-N 0 3 322.452 3.266 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(Cc4ccccc4)CC3)C[C@@H]21 ZINC001042101118 656722150 /nfs/dbraw/zinc/72/21/50/656722150.db2.gz SKJLBGUIOSIAHJ-OALUTQOASA-N 0 3 324.468 3.118 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(Cl)cc3F)C[C@H]21 ZINC001042141546 656726012 /nfs/dbraw/zinc/72/60/12/656726012.db2.gz GRNKMSGACDJBOV-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)C[C@H]21 ZINC001042142294 656726559 /nfs/dbraw/zinc/72/65/59/656726559.db2.gz MWJQDAOFSPQTPW-PKOBYXMFSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001049935795 656727772 /nfs/dbraw/zinc/72/77/72/656727772.db2.gz HACINXIMWBTPFF-GJZGRUSLSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCCN1CCCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000981583433 656728529 /nfs/dbraw/zinc/72/85/29/656728529.db2.gz XUERTTHCZSRSKP-UHFFFAOYSA-N 0 3 312.457 3.219 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)C[C@H]21 ZINC001042178476 656730260 /nfs/dbraw/zinc/73/02/60/656730260.db2.gz DPDCQHNHZIFENJ-HNAYVOBHSA-N 0 3 323.440 3.199 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cccc(F)c3F)C[C@H]21 ZINC001042205434 656736242 /nfs/dbraw/zinc/73/62/42/656736242.db2.gz BOWGYOTUQYDNGD-XJKSGUPXSA-N 0 3 320.383 3.077 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001049973657 656737695 /nfs/dbraw/zinc/73/76/95/656737695.db2.gz PHDFRDDSBQLUAK-QWHCGFSZSA-N 0 3 308.809 3.046 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042220380 656739163 /nfs/dbraw/zinc/73/91/63/656739163.db2.gz CKDDJXOBTSWBDZ-JSGCOSHPSA-N 0 3 308.809 3.046 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(CCC)cc2)CC1 ZINC001052665843 656743099 /nfs/dbraw/zinc/74/30/99/656743099.db2.gz GMLOVSFKSIULEQ-IBGZPJMESA-N 0 3 312.457 3.247 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccsc3Cl)C[C@H]21 ZINC001042252948 656745871 /nfs/dbraw/zinc/74/58/71/656745871.db2.gz CATQBKBHMLJMEW-WCQYABFASA-N 0 3 310.850 3.124 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)Cc3ccc(Cl)s3)C[C@H]21 ZINC001042258836 656746487 /nfs/dbraw/zinc/74/64/87/656746487.db2.gz QCVDPQDGTUXMFD-GXTWGEPZSA-N 0 3 324.877 3.053 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(Cl)ccc3C)C[C@@H]21 ZINC001042276100 656747764 /nfs/dbraw/zinc/74/77/64/656747764.db2.gz 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ZINC001052782277 656768548 /nfs/dbraw/zinc/76/85/48/656768548.db2.gz XOPMYRAXUOGYRM-SBHAEUEKSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000981834264 656779867 /nfs/dbraw/zinc/77/98/67/656779867.db2.gz BOYIPUHMRJZBIN-UHFFFAOYSA-N 0 3 322.836 3.073 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCC=CCCC3)C2)C1 ZINC000981839498 656782857 /nfs/dbraw/zinc/78/28/57/656782857.db2.gz YVLMMQQDTZHPFT-KRWDZBQOSA-N 0 3 302.462 3.233 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2Cl)CC1 ZINC001052911450 656788899 /nfs/dbraw/zinc/78/88/99/656788899.db2.gz HYKSHGDMKGGCAQ-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC001052915512 656789523 /nfs/dbraw/zinc/78/95/23/656789523.db2.gz CZGQBSPXPNZPPC-LJQANCHMSA-N 0 3 324.468 3.102 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000981869332 656790583 /nfs/dbraw/zinc/79/05/83/656790583.db2.gz SHQNXJLEFWAPEJ-OAHLLOKOSA-N 0 3 318.848 3.001 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001052951452 656795569 /nfs/dbraw/zinc/79/55/69/656795569.db2.gz JRRZDAVAUDBHQW-IEBWSBKVSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001028148786 656796819 /nfs/dbraw/zinc/79/68/19/656796819.db2.gz MFZZVPPZQYHAKD-KRWDZBQOSA-N 0 3 322.408 3.164 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)CC1 ZINC001052963335 656798868 /nfs/dbraw/zinc/79/88/68/656798868.db2.gz WIVIYSFQJNQRPG-IBGZPJMESA-N 0 3 310.441 3.172 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C(C)C)s2)CC1 ZINC001052962498 656799212 /nfs/dbraw/zinc/79/92/12/656799212.db2.gz DYUHRRYCFDLEQN-AWEZNQCLSA-N 0 3 304.459 3.089 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2oc3ccccc3c2CC)CC1 ZINC001052967924 656800547 /nfs/dbraw/zinc/80/05/47/656800547.db2.gz QCTRMBQQHUJIPV-OAHLLOKOSA-N 0 3 324.424 3.213 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCN(CCc3cccs3)CC2)C1 ZINC000981909720 656802208 /nfs/dbraw/zinc/80/22/08/656802208.db2.gz RMAYYACINSOOAS-UHFFFAOYSA-N 0 3 318.486 3.181 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001028159148 656816524 /nfs/dbraw/zinc/81/65/24/656816524.db2.gz AUEKBPXIKKMRDG-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]([C@H]3CCCN(CCF)C3)C2)C1 ZINC001053038033 656828415 /nfs/dbraw/zinc/82/84/15/656828415.db2.gz FCNGPDIVCAVJMG-DLBZAZTESA-N 0 3 322.468 3.263 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001028169867 656832744 /nfs/dbraw/zinc/83/27/44/656832744.db2.gz GAIXVRQSWFTLDZ-OAHLLOKOSA-N 0 3 316.445 3.103 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cccs2)C1 ZINC001053064827 656839277 /nfs/dbraw/zinc/83/92/77/656839277.db2.gz ZENZABLAKSPOQM-CVEARBPZSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CCCC2)C1 ZINC001053065339 656840033 /nfs/dbraw/zinc/84/00/33/656840033.db2.gz GBEATGYKDXUBDU-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001053067224 656841025 /nfs/dbraw/zinc/84/10/25/656841025.db2.gz 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C=CCN1CCC(C)(NC(=O)c2cccc3scnc32)CC1 ZINC001045437856 657023726 /nfs/dbraw/zinc/02/37/26/657023726.db2.gz GZJNOOZKIGAHAU-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001054977472 657027574 /nfs/dbraw/zinc/02/75/74/657027574.db2.gz YEJCLVCNEWIJMY-WBMJQRKESA-N 0 3 322.399 3.114 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)c(F)cc2F)CC1 ZINC001045475250 657027600 /nfs/dbraw/zinc/02/76/00/657027600.db2.gz HRHBNDKSNKWBHU-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001045478072 657028669 /nfs/dbraw/zinc/02/86/69/657028669.db2.gz QZEZSVIWOPYWAT-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cccc(Cl)c2F)CC1 ZINC001045541996 657035070 /nfs/dbraw/zinc/03/50/70/657035070.db2.gz YVNQLWGUOBOAEQ-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C)c(OCC)c2)CC1 ZINC001045576185 657039674 /nfs/dbraw/zinc/03/96/74/657039674.db2.gz AZYKJMQRZJRDLX-UHFFFAOYSA-N 0 3 316.445 3.164 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC001045585597 657039927 /nfs/dbraw/zinc/03/99/27/657039927.db2.gz SKANJBBEQWICAD-RBUKOAKNSA-N 0 3 324.468 3.093 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC001045584397 657040449 /nfs/dbraw/zinc/04/04/49/657040449.db2.gz AOCKKZXMRQYRKJ-UHFFFAOYSA-N 0 3 322.452 3.254 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC001045635432 657047108 /nfs/dbraw/zinc/04/71/08/657047108.db2.gz DELMKCXTCJYNEN-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001045647798 657048582 /nfs/dbraw/zinc/04/85/82/657048582.db2.gz UZAIUAHBZBLJDT-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cccs1 ZINC000128909437 657053666 /nfs/dbraw/zinc/05/36/66/657053666.db2.gz YVQVLQUWTJBHKR-NSHDSACASA-N 0 3 314.366 3.108 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccoc3CCC)C[C@]2(C)C1 ZINC000982727252 657084200 /nfs/dbraw/zinc/08/42/00/657084200.db2.gz 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CC#CCN1CCC(C2(NC(=O)c3ccccc3CC)CC2)CC1 ZINC001000243937 657105895 /nfs/dbraw/zinc/10/58/95/657105895.db2.gz LCIAXVORAPOXTN-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC001000246658 657106181 /nfs/dbraw/zinc/10/61/81/657106181.db2.gz CMAZLASIYHAVKA-WMZOPIPTSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1CCC(=C)CC1)C2 ZINC001045962910 657106671 /nfs/dbraw/zinc/10/66/71/657106671.db2.gz SBSWYAKSJKSJAA-HXUWFJFHSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(C)CC=CC1)C2 ZINC001045964478 657107876 /nfs/dbraw/zinc/10/78/76/657107876.db2.gz IVBBHYOBBWEXAU-HXUWFJFHSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CC[C@H](C)CC3)CC2)CC1 ZINC001000318985 657112615 /nfs/dbraw/zinc/11/26/15/657112615.db2.gz OFGOGBQCXCYIBR-QAQDUYKDSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)c3cc4ccccc4o3)CC2)CC1 ZINC001000327251 657113573 /nfs/dbraw/zinc/11/35/73/657113573.db2.gz 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ZINC001001561033 657232408 /nfs/dbraw/zinc/23/24/08/657232408.db2.gz IRGQPYGMKKSOGT-ROUUACIJSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001046868345 657240591 /nfs/dbraw/zinc/24/05/91/657240591.db2.gz QKUDTWAQQUOBGN-AFMYVXGZSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(-c3ccccc3)co2)C1 ZINC001046874899 657241689 /nfs/dbraw/zinc/24/16/89/657241689.db2.gz WTLRJNFTRQWMMF-FQEVSTJZSA-N 0 3 322.408 3.164 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3csc(C)c3C)[C@@H]2C1 ZINC001050054354 657242349 /nfs/dbraw/zinc/24/23/49/657242349.db2.gz IDTLQIFZKFGSEY-GOEBONIOSA-N 0 3 304.459 3.087 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3cccs3)[C@@H]2C1 ZINC001050154970 657260657 /nfs/dbraw/zinc/26/06/57/657260657.db2.gz WAABTPFFDPHKOJ-HLLBOEOZSA-N 0 3 318.486 3.036 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001050162460 657262852 /nfs/dbraw/zinc/26/28/52/657262852.db2.gz QSSUFSDTEMCBCX-PXCRPINLSA-N 0 3 324.468 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C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC000968386902 657402149 /nfs/dbraw/zinc/40/21/49/657402149.db2.gz QWBCGQHALNLFJZ-TZMCWYRMSA-N 0 3 322.474 3.081 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387053 657402689 /nfs/dbraw/zinc/40/26/89/657402689.db2.gz UAQHNCXOVWLJTG-WCQYABFASA-N 0 3 312.866 3.418 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC000968399513 657404901 /nfs/dbraw/zinc/40/49/01/657404901.db2.gz FELYGUDOENFAQD-KBPBESRZSA-N 0 3 321.490 3.283 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC000968430004 657411324 /nfs/dbraw/zinc/41/13/24/657411324.db2.gz AOVOMOPKNJPVQR-XJKSGUPXSA-N 0 3 318.848 3.112 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC000968549563 657424843 /nfs/dbraw/zinc/42/48/43/657424843.db2.gz UFADIDLLUYQVPH-GOEBONIOSA-N 0 3 318.461 3.421 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC000968561575 657427586 /nfs/dbraw/zinc/42/75/86/657427586.db2.gz 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C=C(C)CCN1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993068926 659670015 /nfs/dbraw/zinc/67/00/15/659670015.db2.gz JOBPFXRHHYWRKR-ZIAGYGMSSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)c2F)[C@@H]1C ZINC000993344374 659718563 /nfs/dbraw/zinc/71/85/63/659718563.db2.gz GVZCVPCCFNIUBZ-HOCLYGCPSA-N 0 3 304.409 3.293 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3c2CCCC3)[C@H]1C ZINC000993368207 659722127 /nfs/dbraw/zinc/72/21/27/659722127.db2.gz PMRFQIIHEUZILI-OXQOHEQNSA-N 0 3 324.468 3.171 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(F)cc2F)[C@@H]1C ZINC000993369567 659722751 /nfs/dbraw/zinc/72/27/51/659722751.db2.gz ZODIZHOTGSQRJV-SUMWQHHRSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC000993381231 659725251 /nfs/dbraw/zinc/72/52/51/659725251.db2.gz OALBOCNNRFUGLB-MJGOQNOKSA-N 0 3 314.473 3.391 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993424671 659734928 /nfs/dbraw/zinc/73/49/28/659734928.db2.gz 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ZINC000948459589 661976721 /nfs/dbraw/zinc/97/67/21/661976721.db2.gz DNANAOKRLFWHJB-ZDUSSCGKSA-N 0 3 324.877 3.351 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3cccc(F)c3o2)CC1 ZINC001006434761 661990650 /nfs/dbraw/zinc/99/06/50/661990650.db2.gz IQJYQWHSRYWRIC-UHFFFAOYSA-N 0 3 316.376 3.294 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC000948849403 662002712 /nfs/dbraw/zinc/00/27/12/662002712.db2.gz PAVGPGJYOVOVSS-YSIASYRMSA-N 0 3 324.468 3.045 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000948890502 662006319 /nfs/dbraw/zinc/00/63/19/662006319.db2.gz RLRRCZTYJPTTSC-IBGZPJMESA-N 0 3 323.440 3.310 20 30 DGEDHN C=C(Br)CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000081557114 662169501 /nfs/dbraw/zinc/16/95/01/662169501.db2.gz JJWZNFVMFHFOSD-HNNXBMFYSA-N 0 3 309.251 3.149 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071490680 686668534 /nfs/dbraw/zinc/66/85/34/686668534.db2.gz PLZHIULAVMJJOB-OLZOCXBDSA-N 0 3 310.438 3.436 20 30 DGEDHN 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686749801 /nfs/dbraw/zinc/74/98/01/686749801.db2.gz CHYTWWRJHMTLIH-QFBILLFUSA-N 0 3 312.457 3.245 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)CC[C@@H]1C ZINC001071844972 686770016 /nfs/dbraw/zinc/77/00/16/686770016.db2.gz VMJKEJCZJOCJJV-JSGCOSHPSA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(CC)cc2)CC[C@@H]1C ZINC001071857301 686773822 /nfs/dbraw/zinc/77/38/22/686773822.db2.gz GHXJRWDOTAOXDT-QFBILLFUSA-N 0 3 314.473 3.337 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@H]1C ZINC001071861118 686774204 /nfs/dbraw/zinc/77/42/04/686774204.db2.gz NSCRGVGJMQFOOD-WBVHZDCISA-N 0 3 311.429 3.098 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C23CCC(CC2)C3(C)C)CC[C@H]1C ZINC001071879298 686779385 /nfs/dbraw/zinc/77/93/85/686779385.db2.gz BDWFKOZFCRRRBM-YJBCQJRQSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2scnc2C(C)C)CC[C@@H]1C ZINC001071883391 686780212 /nfs/dbraw/zinc/78/02/12/686780212.db2.gz KMLAAERENQCFGL-KBPBESRZSA-N 0 3 321.490 3.425 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3sccc3[nH]2)CC[C@H]1C ZINC001071960620 686797474 /nfs/dbraw/zinc/79/74/74/686797474.db2.gz GBBPTOFMCNRVED-OLZOCXBDSA-N 0 3 317.458 3.388 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(CC)c(CC)o2)CC[C@@H]1C ZINC001071996628 686809645 /nfs/dbraw/zinc/80/96/45/686809645.db2.gz SRZHDEOUHQYZLH-GOEBONIOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cnc(C3CC3)s2)CC[C@@H]1C ZINC001072009091 686815573 /nfs/dbraw/zinc/81/55/73/686815573.db2.gz QEGVBYSVQOTULS-GXTWGEPZSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3ccccc3n2)CC[C@H]1C ZINC001072019224 686825015 /nfs/dbraw/zinc/82/50/15/686825015.db2.gz FLMWCMICXJWQMB-NVXWUHKLSA-N 0 3 323.440 3.394 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001072023728 686829711 /nfs/dbraw/zinc/82/97/11/686829711.db2.gz VSIMMWBQDCBEBO-PXNSSMCTSA-N 0 3 324.468 3.146 20 30 DGEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001072023727 686829797 /nfs/dbraw/zinc/82/97/97/686829797.db2.gz VSIMMWBQDCBEBO-FXAWDEMLSA-N 0 3 324.468 3.146 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)CC[C@H]1C ZINC001072030699 686831294 /nfs/dbraw/zinc/83/12/94/686831294.db2.gz UKTOGHMAXHBLKY-AEFFLSMTSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(C(F)F)o2)CC[C@@H]1C ZINC001072034496 686835567 /nfs/dbraw/zinc/83/55/67/686835567.db2.gz ZJWUPJZDNPUOOI-NWDGAFQWSA-N 0 3 312.360 3.376 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@@H]1C ZINC001072038026 686836091 /nfs/dbraw/zinc/83/60/91/686836091.db2.gz ZAJPAUQRONKVEY-YOEHRIQHSA-N 0 3 313.445 3.118 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3ccccc32)CC[C@H]1C ZINC001072043635 686840100 /nfs/dbraw/zinc/84/01/00/686840100.db2.gz BTKMHDHCCDLRJE-AEFFLSMTSA-N 0 3 320.436 3.446 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3c2CCC3)CC[C@@H]1C ZINC001072110327 686871482 /nfs/dbraw/zinc/87/14/82/686871482.db2.gz WEPAZONDTWLVCM-DOTOQJQBSA-N 0 3 312.457 3.334 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cnc(C(C)C)s2)CC[C@@H]1C ZINC001072127631 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C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(CC)cc3)[C@@H]2C1 ZINC001076366779 687514762 /nfs/dbraw/zinc/51/47/62/687514762.db2.gz HOCLYZZZHKULOZ-ZYSHUDEJSA-N 0 3 312.457 3.071 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001076587266 687540541 /nfs/dbraw/zinc/54/05/41/687540541.db2.gz AIKJHHYRXOSZEY-UWWQBHOKSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC(C)(C)c3ccccc3)[C@@H]2C1 ZINC001076608638 687541333 /nfs/dbraw/zinc/54/13/33/687541333.db2.gz SRBLHDVARIQKTD-FUHWJXTLSA-N 0 3 312.457 3.073 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(F)c2)C12CCC2 ZINC001078539129 687678570 /nfs/dbraw/zinc/67/85/70/687678570.db2.gz NQCQRHBNWMRTRT-GJZGRUSLSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccccc2)C12CCC2 ZINC001078538826 687678902 /nfs/dbraw/zinc/67/89/02/687678902.db2.gz JDRYQJOVMKFVBB-HUUCEWRRSA-N 0 3 304.821 3.070 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)c(C)o2)C12CCC2 ZINC001078598643 687687510 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C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001080789021 688012135 /nfs/dbraw/zinc/01/21/35/688012135.db2.gz NGUKWBBHKVGNKX-DNVCBOLYSA-N 0 3 310.441 3.272 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001080914774 688028333 /nfs/dbraw/zinc/02/83/33/688028333.db2.gz WDUNKJNNMOYINZ-CRAIPNDOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001080971359 688030422 /nfs/dbraw/zinc/03/04/22/688030422.db2.gz QGVGTIFLWSBLEI-IIYDPXPESA-N 0 3 322.399 3.081 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001081151458 688057376 /nfs/dbraw/zinc/05/73/76/688057376.db2.gz JHMYGUXSNJLRAO-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C[C@H]1Cc2cc(Cl)ccc2N1C(=O)[C@H](N)CCCCC#N ZINC001576863013 1191872447 /nfs/dbraw/zinc/87/24/47/1191872447.db2.gz RPRUGZMVAMRNCF-SMDDNHRTSA-N 0 3 305.809 3.029 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1nc(C)no1 ZINC001577426456 1191900493 /nfs/dbraw/zinc/90/04/93/1191900493.db2.gz OXERMGGGOZJVSG-HUUCEWRRSA-N 0 3 322.453 3.119 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC001577426295 1191900511 /nfs/dbraw/zinc/90/05/11/1191900511.db2.gz KUPDMOJIVVNHAE-JKSUJKDBSA-N 0 3 310.482 3.234 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@@H](N)C2CCCCCC2)cc1 ZINC001578252861 1191934324 /nfs/dbraw/zinc/93/43/24/1191934324.db2.gz SKQBJLJFIBPVIG-ROUUACIJSA-N 0 3 313.445 3.228 20 30 DGEDHN COc1cc(Cl)c(NC(=O)[C@H](N)CCCCC#N)cc1C ZINC001579155604 1191967913 /nfs/dbraw/zinc/96/79/13/1191967913.db2.gz QQRCCEGTBSBDRD-GFCCVEGCSA-N 0 3 309.797 3.007 20 30 DGEDHN C=CCC1(C(=O)NCCCN(CC#CC)C2CC2)CCCC1 ZINC001660757633 1196519943 /nfs/dbraw/zinc/51/99/43/1196519943.db2.gz ZZLCGVBAAOEWEH-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC001580050976 1192004539 /nfs/dbraw/zinc/00/45/39/1192004539.db2.gz UZTFSGVMXZLJHD-SNVBAGLBSA-N 0 3 322.821 3.299 20 30 DGEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C)cc1[O-])C(C)C ZINC001585129259 1192243052 /nfs/dbraw/zinc/24/30/52/1192243052.db2.gz RZIYHDMGWRWHJZ-QGZVFWFLSA-N 0 3 316.445 3.129 20 30 DGEDHN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001586717333 1192346370 /nfs/dbraw/zinc/34/63/70/1192346370.db2.gz RHVWTKLIZYHJGL-LIRRHRJNSA-N 0 3 324.428 3.493 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)CC1CCCCC1 ZINC001663684522 1196927890 /nfs/dbraw/zinc/92/78/90/1196927890.db2.gz ZGPKXPQCLQZBFC-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCCCC[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588595975 1192451560 /nfs/dbraw/zinc/45/15/60/1192451560.db2.gz CGXFLXIOWMRPGO-UHFFFAOYSA-N 0 3 309.417 3.312 20 30 DGEDHN C=CCCCC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588595975 1192451563 /nfs/dbraw/zinc/45/15/63/1192451563.db2.gz CGXFLXIOWMRPGO-UHFFFAOYSA-N 0 3 309.417 3.312 20 30 DGEDHN C=CCCCC[N@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588595975 1192451565 /nfs/dbraw/zinc/45/15/65/1192451565.db2.gz CGXFLXIOWMRPGO-UHFFFAOYSA-N 0 3 309.417 3.312 20 30 DGEDHN C=CCCCC[N@@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588595975 1192451569 /nfs/dbraw/zinc/45/15/69/1192451569.db2.gz CGXFLXIOWMRPGO-UHFFFAOYSA-N 0 3 309.417 3.312 20 30 DGEDHN CC(C)(C#N)CCCC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001589033251 1192455738 /nfs/dbraw/zinc/45/57/38/1192455738.db2.gz BWSKCNITDKJHSU-UHFFFAOYSA-N 0 3 324.432 3.165 20 30 DGEDHN CC(C)(C#N)CCCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001589033251 1192455741 /nfs/dbraw/zinc/45/57/41/1192455741.db2.gz BWSKCNITDKJHSU-UHFFFAOYSA-N 0 3 324.432 3.165 20 30 DGEDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CCCC(C)(C)C#N ZINC001590047700 1192486586 /nfs/dbraw/zinc/48/65/86/1192486586.db2.gz ZZERQGCESLUUEA-CYBMUJFWSA-N 0 3 312.421 3.189 20 30 DGEDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC001590047700 1192486587 /nfs/dbraw/zinc/48/65/87/1192486587.db2.gz ZZERQGCESLUUEA-CYBMUJFWSA-N 0 3 312.421 3.189 20 30 DGEDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)CCCC(C)(C)C#N ZINC001590047700 1192486589 /nfs/dbraw/zinc/48/65/89/1192486589.db2.gz ZZERQGCESLUUEA-CYBMUJFWSA-N 0 3 312.421 3.189 20 30 DGEDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC001590047700 1192486592 /nfs/dbraw/zinc/48/65/92/1192486592.db2.gz ZZERQGCESLUUEA-CYBMUJFWSA-N 0 3 312.421 3.189 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccccc2C2CC2)C1 ZINC001690974831 1176055651 /nfs/dbraw/zinc/05/56/51/1176055651.db2.gz IKKNFHSIOGQXRM-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1ccc(C)cc1 ZINC001691035713 1176175011 /nfs/dbraw/zinc/17/50/11/1176175011.db2.gz KXRAZNSZXPYZAH-UHFFFAOYSA-N 0 3 300.446 3.127 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](CCC)c1ccccn1 ZINC001670683126 1176215444 /nfs/dbraw/zinc/21/54/44/1176215444.db2.gz ZNWZZLIGOSVHPB-IRXDYDNUSA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)CCc1ccccc1F ZINC001670686324 1176217000 /nfs/dbraw/zinc/21/70/00/1176217000.db2.gz FBIYRNVFBITSPU-DOTOQJQBSA-N 0 3 318.436 3.161 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)CC(C)=C(C)C ZINC001754060900 1176227845 /nfs/dbraw/zinc/22/78/45/1176227845.db2.gz ABGBITGZKSUREJ-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccccc1OCC ZINC001670719390 1176232381 /nfs/dbraw/zinc/23/23/81/1176232381.db2.gz PYFDEMWLJZSGIM-HOTGVXAUSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001670724278 1176235165 /nfs/dbraw/zinc/23/51/65/1176235165.db2.gz GUPYZQLKYCPZFG-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2cccc(CC)c2)C1 ZINC001691103637 1176314867 /nfs/dbraw/zinc/31/48/67/1176314867.db2.gz LZOPCOHXRUKUAD-CALCHBBNSA-N 0 3 320.864 3.028 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001266876040 1176368031 /nfs/dbraw/zinc/36/80/31/1176368031.db2.gz FIMBSMXLTRYETE-FUHWJXTLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC001691234999 1176405780 /nfs/dbraw/zinc/40/57/80/1176405780.db2.gz FJXQLRXDIZRJNO-UHFFFAOYSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001691347060 1176447463 /nfs/dbraw/zinc/44/74/63/1176447463.db2.gz MVEHUIVXXICVIY-HUUCEWRRSA-N 0 3 307.463 3.016 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001691402378 1176468940 /nfs/dbraw/zinc/46/89/40/1176468940.db2.gz KBTFKJADYBCUIA-AWEZNQCLSA-N 0 3 322.474 3.178 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)CCc1csc(C)n1 ZINC001754328645 1176521035 /nfs/dbraw/zinc/52/10/35/1176521035.db2.gz ORRBGHOVYDFABJ-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)CCc1cccs1 ZINC001698994357 1176562537 /nfs/dbraw/zinc/56/25/37/1176562537.db2.gz KVELGTOJIMXGMF-QGZVFWFLSA-N 0 3 308.491 3.283 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2c(s1)CCC2)C(C)C ZINC001725732624 1176605404 /nfs/dbraw/zinc/60/54/04/1176605404.db2.gz IMCSJFXXDKNEOV-UHFFFAOYSA-N 0 3 306.475 3.205 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H](F)CC)C[C@H]2C1 ZINC001692284588 1176616691 /nfs/dbraw/zinc/61/66/91/1176616691.db2.gz ZBGPKDMHIHWRQV-PMPSAXMXSA-N 0 3 310.457 3.117 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001691458112 1176624147 /nfs/dbraw/zinc/62/41/47/1176624147.db2.gz KJYKXCKCTSIDFI-RWMBFGLXSA-N 0 3 319.276 3.392 20 30 DGEDHN CC#CCCCC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001754719229 1176675476 /nfs/dbraw/zinc/67/54/76/1176675476.db2.gz ZKMJDWLQBKSQPW-XFFZJAGNSA-N 0 3 310.869 3.151 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2ccc(C)s2)CC1 ZINC001752310786 1176727223 /nfs/dbraw/zinc/72/72/23/1176727223.db2.gz RUKWZQMSDXBJPJ-UHFFFAOYSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)SC)c1ccc(C(C)C)cc1 ZINC001691766477 1176781114 /nfs/dbraw/zinc/78/11/14/1176781114.db2.gz AUBWDKCAWLEGLH-PBHICJAKSA-N 0 3 320.502 3.494 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1C(C)(C)C1(C)C)c1ccccc1 ZINC001691777906 1176805624 /nfs/dbraw/zinc/80/56/24/1176805624.db2.gz ILBNOIMPDMTAIL-OAHLLOKOSA-N 0 3 300.446 3.302 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1C ZINC001755198020 1176848827 /nfs/dbraw/zinc/84/88/27/1176848827.db2.gz SJVMVGJLJQNTNK-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@@H](CC)N(CC)CC)cc21 ZINC001598316530 1192769938 /nfs/dbraw/zinc/76/99/38/1192769938.db2.gz SCCCVKHISMOOFG-MRXNPFEDSA-N 0 3 314.433 3.281 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001752531632 1176887039 /nfs/dbraw/zinc/88/70/39/1176887039.db2.gz BJLPOTWBVIUXJE-AEGPPILISA-N 0 3 319.474 3.095 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001691517270 1177050870 /nfs/dbraw/zinc/05/08/70/1177050870.db2.gz IPRPQQVGXLTEQB-CTYIDZIISA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H](C)C(F)(F)F ZINC001752820792 1177201084 /nfs/dbraw/zinc/20/10/84/1177201084.db2.gz QOSUHWQKNDAUIJ-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC001752822266 1177204030 /nfs/dbraw/zinc/20/40/30/1177204030.db2.gz CYBMULJLLVNGIB-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1cc(C)ccc1F)C(C)C ZINC001755817455 1177247212 /nfs/dbraw/zinc/24/72/12/1177247212.db2.gz MNXDFPMUDIZWDX-UHFFFAOYSA-N 0 3 320.452 3.422 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001640016082 1194791566 /nfs/dbraw/zinc/79/15/66/1194791566.db2.gz OUQCQXSPWJDQAZ-MRXNPFEDSA-N 0 3 302.462 3.319 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1ccc(C)cc1 ZINC001691656472 1177594809 /nfs/dbraw/zinc/59/48/09/1177594809.db2.gz JKJOBJWVKSFQCR-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@@H](C)NCc2nccs2)CC1 ZINC001691667166 1177621661 /nfs/dbraw/zinc/62/16/61/1177621661.db2.gz MNXAQVPOPBWPQQ-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1ccc(C)s1 ZINC001691683997 1177685797 /nfs/dbraw/zinc/68/57/97/1177685797.db2.gz VVYCVROSKYFPTI-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H](CC)c3ccccc3)C2)C1 ZINC001671084511 1177773284 /nfs/dbraw/zinc/77/32/84/1177773284.db2.gz BTTVXTBZRXOAQC-GHTZIAJQSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)CCCC)C[C@@H](C)O2 ZINC001111541865 1177906652 /nfs/dbraw/zinc/90/66/52/1177906652.db2.gz FHSFCKOQLSWXMR-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN N#Cc1ccc(NC(=S)Nc2cnccc2N2CCCC2)cc1 ZINC001245886638 1178078510 /nfs/dbraw/zinc/07/85/10/1178078510.db2.gz GIIBXAHGARRXKZ-UHFFFAOYSA-N 0 3 323.425 3.362 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C(C)C)cn1 ZINC001330915239 1178092037 /nfs/dbraw/zinc/09/20/37/1178092037.db2.gz JJGRKAMXYMVHEE-AWEZNQCLSA-N 0 3 323.868 3.446 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(F)cccc1F ZINC001330964084 1178101201 /nfs/dbraw/zinc/10/12/01/1178101201.db2.gz YWNUSKOHAXYRKZ-NSHDSACASA-N 0 3 316.779 3.205 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001331001418 1178109356 /nfs/dbraw/zinc/10/93/56/1178109356.db2.gz WRQIJBVUBULXHH-OAHLLOKOSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001331001418 1178109359 /nfs/dbraw/zinc/10/93/59/1178109359.db2.gz WRQIJBVUBULXHH-OAHLLOKOSA-N 0 3 316.445 3.283 20 30 DGEDHN Cc1cc(NC[C@@H](C)CCC#N)ccc1N1CCN(C)CC1 ZINC001331042715 1178121993 /nfs/dbraw/zinc/12/19/93/1178121993.db2.gz QRMSAXJBYSMHNO-HNNXBMFYSA-N 0 3 300.450 3.099 20 30 DGEDHN CC(C)C#CC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001331218975 1178158010 /nfs/dbraw/zinc/15/80/10/1178158010.db2.gz CLSXLIINTDBYAI-LJQANCHMSA-N 0 3 312.457 3.157 20 30 DGEDHN CCNc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC001331381102 1178200143 /nfs/dbraw/zinc/20/01/43/1178200143.db2.gz PGGZOXYDXVTJRI-MCIONIFRSA-N 0 3 314.433 3.190 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cccnc2C)CCC1 ZINC001331549253 1178243825 /nfs/dbraw/zinc/24/38/25/1178243825.db2.gz WFCIYNQOEVYXRM-HNNXBMFYSA-N 0 3 315.461 3.073 20 30 DGEDHN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@@H]1C#N ZINC001331803747 1178283568 /nfs/dbraw/zinc/28/35/68/1178283568.db2.gz WBBZYUPQMLQEQP-ARFHVFGLSA-N 0 3 321.465 3.258 20 30 DGEDHN CCCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001331849136 1178290310 /nfs/dbraw/zinc/29/03/10/1178290310.db2.gz ASJRQLRWZQJSGF-XJKSGUPXSA-N 0 3 319.474 3.279 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001331857816 1178292674 /nfs/dbraw/zinc/29/26/74/1178292674.db2.gz BUECOLBNFZRVQF-WMLDXEAASA-N 0 3 312.413 3.478 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001331993144 1178330506 /nfs/dbraw/zinc/33/05/06/1178330506.db2.gz VZWPMUPLNRZNDA-ZIAGYGMSSA-N 0 3 317.458 3.055 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1sc(C)cc1C)C(C)C ZINC001332706388 1178477533 /nfs/dbraw/zinc/47/75/33/1178477533.db2.gz COWKINAQTRSCKX-UHFFFAOYSA-N 0 3 306.475 3.171 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C[C@H]1CC[C@@H](C)O1)C(C)C ZINC001332707701 1178479123 /nfs/dbraw/zinc/47/91/23/1178479123.db2.gz PJFNRWFQSCODED-IAGOWNOFSA-N 0 3 324.509 3.325 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(OC(C)C)cc1)C(C)C ZINC001332740462 1178490491 /nfs/dbraw/zinc/49/04/91/1178490491.db2.gz MFIZDRQVUTXVCG-UHFFFAOYSA-N 0 3 318.461 3.442 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2ccns2)C(C)(C)C)C1 ZINC001332858264 1178509196 /nfs/dbraw/zinc/50/91/96/1178509196.db2.gz QQOLUTOWRSJONQ-CQSZACIVSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2ccns2)C(C)(C)C)C1 ZINC001332858263 1178509272 /nfs/dbraw/zinc/50/92/72/1178509272.db2.gz QQOLUTOWRSJONQ-AWEZNQCLSA-N 0 3 321.490 3.120 20 30 DGEDHN C[C@H](NCCN1c2ccccc2CC[C@H]1C)c1cc(C#N)ccn1 ZINC001333149626 1178563880 /nfs/dbraw/zinc/56/38/80/1178563880.db2.gz LHISRZMIXJVKEN-CVEARBPZSA-N 0 3 320.440 3.445 20 30 DGEDHN CC[C@H]1CN(Cc2cncc(C#N)c2)CCN1Cc1ccccc1 ZINC001334784898 1178797879 /nfs/dbraw/zinc/79/78/79/1178797879.db2.gz PHESWMSYUQASAO-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1cc(F)ccc1Br ZINC001335329558 1178895203 /nfs/dbraw/zinc/89/52/03/1178895203.db2.gz LSNPLOCFNXUPDZ-ZDUSSCGKSA-N 0 3 314.198 3.106 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC001341871967 1179074411 /nfs/dbraw/zinc/07/44/11/1179074411.db2.gz RRZHEOACPKUUSY-GOEBONIOSA-N 0 3 306.454 3.151 20 30 DGEDHN CC1(C)CCN(C(=O)[C@@H](N)CCCC#N)C[C@H]1c1ccccc1 ZINC001342112977 1179105172 /nfs/dbraw/zinc/10/51/72/1179105172.db2.gz XAJOQHQQXUCWKZ-IRXDYDNUSA-N 0 3 313.445 3.050 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H](C)c1nccnc1C ZINC001342343746 1179132077 /nfs/dbraw/zinc/13/20/77/1179132077.db2.gz BNKNWFHCTWJLPU-CABCVRRESA-N 0 3 306.454 3.040 20 30 DGEDHN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC001342521226 1179149265 /nfs/dbraw/zinc/14/92/65/1179149265.db2.gz VQBLRJKHCMNROM-KBAYOESNSA-N 0 3 313.445 3.192 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc(N)c3ccccc3n2)c(C)c1 ZINC001342605046 1179159179 /nfs/dbraw/zinc/15/91/79/1179159179.db2.gz JGZYKNUGYBKXJY-HNNXBMFYSA-N 0 3 316.364 3.319 20 30 DGEDHN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1cccc(F)n1 ZINC001342610518 1179160505 /nfs/dbraw/zinc/16/05/05/1179160505.db2.gz MYXIBVPHQJKDHN-GFCCVEGCSA-N 0 3 309.275 3.398 20 30 DGEDHN Cc1ccc([C@H](CNc2cccc(CC#N)n2)N2CCCC2)o1 ZINC001342844917 1179196272 /nfs/dbraw/zinc/19/62/72/1179196272.db2.gz ZNOSDHZACXKGEX-INIZCTEOSA-N 0 3 310.401 3.298 20 30 DGEDHN C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C)C2)n1CC(C)C ZINC001343551770 1179295685 /nfs/dbraw/zinc/29/56/85/1179295685.db2.gz OCHNLCJZICINBO-MRXNPFEDSA-N 0 3 319.497 3.146 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](CCOC)c2ccccc21 ZINC001343681839 1179316120 /nfs/dbraw/zinc/31/61/20/1179316120.db2.gz SKSLPMYHVQWTGA-RDJZCZTQSA-N 0 3 316.445 3.227 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC001343850447 1179339546 /nfs/dbraw/zinc/33/95/46/1179339546.db2.gz DEXYOROJQFRLTM-OAHLLOKOSA-N 0 3 323.396 3.286 20 30 DGEDHN N#CCOc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC001343949904 1179354069 /nfs/dbraw/zinc/35/40/69/1179354069.db2.gz SVFWPESXOBCVEO-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2cccc(F)n2)ccn1 ZINC001344025092 1179366668 /nfs/dbraw/zinc/36/66/68/1179366668.db2.gz YHAQEIRQUOJPBE-AAEUAGOBSA-N 0 3 313.332 3.283 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccc(F)cc1 ZINC001344321813 1179412187 /nfs/dbraw/zinc/41/21/87/1179412187.db2.gz BQLVHWNFRLJRJV-HNNXBMFYSA-N 0 3 315.348 3.078 20 30 DGEDHN CCn1ccnc1C(C#N)=C([O-])c1ccc(C[NH+](CC)CC)cc1 ZINC001344322817 1179412272 /nfs/dbraw/zinc/41/22/72/1179412272.db2.gz YYSJZHMKZYDYNW-QGZVFWFLSA-N 0 3 324.428 3.235 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001344322194 1179412299 /nfs/dbraw/zinc/41/22/99/1179412299.db2.gz JNMGLSOFZFXVOV-SFYZADRCSA-N 0 3 320.607 3.224 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(C(F)F)ccc1F ZINC001344322254 1179413067 /nfs/dbraw/zinc/41/30/67/1179413067.db2.gz KOJLXVMPPFJAFV-NSHDSACASA-N 0 3 307.275 3.470 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccc(F)cn1 ZINC001479820218 1179464748 /nfs/dbraw/zinc/46/47/48/1179464748.db2.gz KIVYJZMQWYAQQO-PBHICJAKSA-N 0 3 319.424 3.046 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccc(F)cc1 ZINC001344864544 1179488740 /nfs/dbraw/zinc/48/87/40/1179488740.db2.gz SBDTULOAQGEMLU-LBPRGKRZSA-N 0 3 305.740 3.022 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1cccc(C)c1 ZINC001344874689 1179489778 /nfs/dbraw/zinc/48/97/78/1179489778.db2.gz DXNHMEUEBDTLBZ-INIZCTEOSA-N 0 3 311.385 3.247 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cnn(C2CCCCC2)c1 ZINC001344875497 1179490734 /nfs/dbraw/zinc/49/07/34/1179490734.db2.gz SLRSQVVSYGOWCC-HNNXBMFYSA-N 0 3 311.389 3.095 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(Cl)s1 ZINC001345646244 1179586323 /nfs/dbraw/zinc/58/63/23/1179586323.db2.gz HDVFAUAMMUOZST-NSHDSACASA-N 0 3 307.806 3.427 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001346097176 1179652929 /nfs/dbraw/zinc/65/29/29/1179652929.db2.gz ZJFQBCCVFRQVFT-WRWLIDTKSA-N 0 3 319.408 3.373 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc(C4CC4)no3)nc21 ZINC001347052506 1179772098 /nfs/dbraw/zinc/77/20/98/1179772098.db2.gz SDKXWNGOFPURCP-CYBMUJFWSA-N 0 3 320.352 3.156 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCSCc1ccccc1 ZINC001347337372 1179796995 /nfs/dbraw/zinc/79/69/95/1179796995.db2.gz HOKFGBLHSOZKKT-OAHLLOKOSA-N 0 3 313.426 3.403 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1sc(CC2CC2)nc1C ZINC001347338777 1179797493 /nfs/dbraw/zinc/79/74/93/1179797493.db2.gz VJZPZEBGWYVOQB-LBPRGKRZSA-N 0 3 314.414 3.111 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001347392330 1179802196 /nfs/dbraw/zinc/80/21/96/1179802196.db2.gz SRYYTUUSMQDCLJ-QWRGUYRKSA-N 0 3 317.776 3.209 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC001349563322 1179915758 /nfs/dbraw/zinc/91/57/58/1179915758.db2.gz BLJMAUKMBWAXSG-IBGZPJMESA-N 0 3 311.429 3.266 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(c2ccncc2)CC1 ZINC001349623017 1179923541 /nfs/dbraw/zinc/92/35/41/1179923541.db2.gz ACIGFOCAVNKHAV-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(CC(C)C)C(C)C ZINC001351861317 1180257381 /nfs/dbraw/zinc/25/73/81/1180257381.db2.gz QBVXZLZKKOVOMF-MRXNPFEDSA-N 0 3 319.497 3.144 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)C(=C)Cl)C1 ZINC001100362230 1180615574 /nfs/dbraw/zinc/61/55/74/1180615574.db2.gz XYZSCYZUGHGEMT-UHFFFAOYSA-N 0 3 305.249 3.002 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001100671503 1180914100 /nfs/dbraw/zinc/91/41/00/1180914100.db2.gz BSGGUOQEMAZASP-HIFPTAJRSA-N 0 3 312.866 3.089 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2cccs2)C1 ZINC001100671504 1180914258 /nfs/dbraw/zinc/91/42/58/1180914258.db2.gz BSGGUOQEMAZASP-PNESKVBLSA-N 0 3 312.866 3.089 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccc(C(=O)NC)c1 ZINC001357486394 1181400838 /nfs/dbraw/zinc/40/08/38/1181400838.db2.gz MTPIORZXYSBBCR-INIZCTEOSA-N 0 3 319.449 3.063 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC001358434408 1181493341 /nfs/dbraw/zinc/49/33/41/1181493341.db2.gz ZVDYUPIXVKIKSZ-UERKLNTKSA-N 0 3 310.482 3.138 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2OC)C1 ZINC001480615247 1181642337 /nfs/dbraw/zinc/64/23/37/1181642337.db2.gz CNGIDLOGZCTCAC-KRWDZBQOSA-N 0 3 316.445 3.050 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001480725928 1181686990 /nfs/dbraw/zinc/68/69/90/1181686990.db2.gz TWQSQDKZFDWHEF-KRWDZBQOSA-N 0 3 318.486 3.283 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccsc1C(F)(F)F ZINC001492830519 1181716992 /nfs/dbraw/zinc/71/69/92/1181716992.db2.gz ICFOOUAXWAWWTN-UHFFFAOYSA-N 0 3 306.353 3.005 20 30 DGEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)CC(C)(C)C ZINC001496005322 1181750185 /nfs/dbraw/zinc/75/01/85/1181750185.db2.gz QNUXISXWXZZUGF-HNNXBMFYSA-N 0 3 318.436 3.050 20 30 DGEDHN CCN(CCNC(=O)[C@H](C)C(C)(C)C)Cc1cccc(C#N)c1 ZINC001492975321 1181753224 /nfs/dbraw/zinc/75/32/24/1181753224.db2.gz XESLOFHDHPXJLM-HNNXBMFYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001448883448 1182216940 /nfs/dbraw/zinc/21/69/40/1182216940.db2.gz NZQBCFRSRIDVCY-ZDUSSCGKSA-N 0 3 310.388 3.035 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001450418992 1182248588 /nfs/dbraw/zinc/24/85/88/1182248588.db2.gz VRDSCUFRCITWNM-KRWDZBQOSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC001455950468 1182390004 /nfs/dbraw/zinc/39/00/04/1182390004.db2.gz PXADBMTVNCJIFU-NJAFHUGGSA-N 0 3 300.446 3.335 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC001459888698 1182626867 /nfs/dbraw/zinc/62/68/67/1182626867.db2.gz KHNBOWVUXPACAJ-OAHLLOKOSA-N 0 3 307.397 3.464 20 30 DGEDHN C=C(C)[C@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001459980363 1182637391 /nfs/dbraw/zinc/63/73/91/1182637391.db2.gz NVHXUHSXLAOZGE-IYOUNJFTSA-N 0 3 324.415 3.281 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460181531 1182659929 /nfs/dbraw/zinc/65/99/29/1182659929.db2.gz SMILSFQOAZCYHY-HOCLYGCPSA-N 0 3 322.246 3.218 20 30 DGEDHN CCC1(CC)CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC001460415148 1182688121 /nfs/dbraw/zinc/68/81/21/1182688121.db2.gz JLANNYROZCPQNN-WBVHZDCISA-N 0 3 307.482 3.332 20 30 DGEDHN CCC1(CC)CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC001460415142 1182688128 /nfs/dbraw/zinc/68/81/28/1182688128.db2.gz JLANNYROZCPQNN-NVXWUHKLSA-N 0 3 307.482 3.332 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](CO)c2sccc2C)c1 ZINC001461260618 1182788826 /nfs/dbraw/zinc/78/88/26/1182788826.db2.gz GAPSVLQRDWDUTJ-INIZCTEOSA-N 0 3 303.427 3.445 20 30 DGEDHN COc1cc(CN(CCO)[C@H](C)c2ccccc2)ccc1C#N ZINC001461948041 1182883771 /nfs/dbraw/zinc/88/37/71/1182883771.db2.gz DLNPWQNENZQNJG-OAHLLOKOSA-N 0 3 310.397 3.122 20 30 DGEDHN C=C(CC(C)C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001467964710 1183300608 /nfs/dbraw/zinc/30/06/08/1183300608.db2.gz SUYWFRSEIGMUOU-UHFFFAOYSA-N 0 3 323.440 3.486 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC001468647599 1183348999 /nfs/dbraw/zinc/34/89/99/1183348999.db2.gz RBEZSLMPWQRUGJ-KXBFYZLASA-N 0 3 321.509 3.398 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCCN(CC)C[C@@H]1C ZINC001468768632 1183358128 /nfs/dbraw/zinc/35/81/28/1183358128.db2.gz BKFDXDZWGQXJJO-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCC1(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CCCC1 ZINC001470148607 1183464383 /nfs/dbraw/zinc/46/43/83/1183464383.db2.gz ZOYBEAGCTJLLGE-MRXNPFEDSA-N 0 3 319.493 3.249 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001471314606 1183555421 /nfs/dbraw/zinc/55/54/21/1183555421.db2.gz DBIMZYCNLSKYAF-SFHVURJKSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCCCN1CCN(c2ncnc3ccsc32)CC1 ZINC001473176864 1183723870 /nfs/dbraw/zinc/72/38/70/1183723870.db2.gz QJTIQBYTGUXOLD-UHFFFAOYSA-N 0 3 302.447 3.170 20 30 DGEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001473209620 1183730606 /nfs/dbraw/zinc/73/06/06/1183730606.db2.gz ZZORNLHYMYONRZ-DHADLLTHSA-N 0 3 319.493 3.428 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC001473238721 1183733143 /nfs/dbraw/zinc/73/31/43/1183733143.db2.gz MGDQVOHVXRVXHA-CVEARBPZSA-N 0 3 316.445 3.382 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2oc(=O)oc2c1 ZINC001474134001 1183873609 /nfs/dbraw/zinc/87/36/09/1183873609.db2.gz MKOWACGWMYIBHO-HNNXBMFYSA-N 0 3 306.321 3.035 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC=CCCC2)CC1 ZINC001477806180 1184112462 /nfs/dbraw/zinc/11/24/62/1184112462.db2.gz ZHAHYSVAJWWHKN-MRXNPFEDSA-N 0 3 305.466 3.073 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001478395176 1184149256 /nfs/dbraw/zinc/14/92/56/1184149256.db2.gz XIMRDIFUJDORDQ-NVXWUHKLSA-N 0 3 315.461 3.018 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C(F)F ZINC001479228876 1184212111 /nfs/dbraw/zinc/21/21/11/1184212111.db2.gz WKZAEPAYWPQNME-CYBMUJFWSA-N 0 3 323.387 3.132 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CC[C@H]1CCCCO1 ZINC001479239740 1184213896 /nfs/dbraw/zinc/21/38/96/1184213896.db2.gz WNICFLZCDCRQOI-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001479315042 1184231929 /nfs/dbraw/zinc/23/19/29/1184231929.db2.gz WLBFVRSAOWCNOY-WOVMCDHWSA-N 0 3 316.420 3.004 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2ccsc2)C1 ZINC001479320827 1184232941 /nfs/dbraw/zinc/23/29/41/1184232941.db2.gz NNONLBXEJRUQEO-BZPMIXESSA-N 0 3 312.866 3.089 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001479338215 1184236854 /nfs/dbraw/zinc/23/68/54/1184236854.db2.gz SVUOGJFWEYZBPU-FPMFFAJLSA-N 0 3 310.825 3.010 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](CC)CC(F)F)C1 ZINC001479452604 1184253921 /nfs/dbraw/zinc/25/39/21/1184253921.db2.gz FRROLRXBYSAMOD-RWMBFGLXSA-N 0 3 322.827 3.295 20 30 DGEDHN C/C=C(\C)C(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001479682668 1184288272 /nfs/dbraw/zinc/28/82/72/1184288272.db2.gz JESISCLILYQXEW-RGTKQAGQSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(OC)c1C ZINC001479738218 1184308370 /nfs/dbraw/zinc/30/83/70/1184308370.db2.gz YMKPFSICHWBQMW-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCC(=O)N1CCc2sc(CNC[C@H](C)CC)nc2C1 ZINC001479741134 1184310002 /nfs/dbraw/zinc/31/00/02/1184310002.db2.gz NQJZIJBWZCDWKR-CYBMUJFWSA-N 0 3 321.490 3.130 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cc[nH]c1CC ZINC001479822030 1184338115 /nfs/dbraw/zinc/33/81/15/1184338115.db2.gz MBPNWIAMHFQERD-XJKSGUPXSA-N 0 3 323.868 3.302 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479951999 1184387471 /nfs/dbraw/zinc/38/74/71/1184387471.db2.gz CEJSQQQJGFAOID-DLBZAZTESA-N 0 3 312.457 3.296 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001479962718 1184394789 /nfs/dbraw/zinc/39/47/89/1184394789.db2.gz WSUGBXSTBDZNAI-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC[C@@H]2CCOC2)CC1 ZINC001479991566 1184406200 /nfs/dbraw/zinc/40/62/00/1184406200.db2.gz AIWGFAWRXUZEHT-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001480038923 1184415149 /nfs/dbraw/zinc/41/51/49/1184415149.db2.gz STRLUVIIIICTLX-MRXNPFEDSA-N 0 3 322.399 3.161 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001480121649 1184440376 /nfs/dbraw/zinc/44/03/76/1184440376.db2.gz BXIXRTVRNYBKEP-OEXQGVITSA-N 0 3 318.848 3.289 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001480130233 1184441945 /nfs/dbraw/zinc/44/19/45/1184441945.db2.gz JFONEYQHCNJUCJ-JOCQHMNTSA-N 0 3 310.800 3.182 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001480200542 1184458403 /nfs/dbraw/zinc/45/84/03/1184458403.db2.gz LQGJFKOVGWCQGP-CALCHBBNSA-N 0 3 316.420 3.065 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001480220668 1184462528 /nfs/dbraw/zinc/46/25/28/1184462528.db2.gz RNEURQCVRUAHDE-WQVCFCJDSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)NCc1nsc2ccccc12 ZINC001480753390 1184599049 /nfs/dbraw/zinc/59/90/49/1184599049.db2.gz GDAZGZWGQCVBMG-CYBMUJFWSA-N 0 3 317.458 3.247 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](c1cccnc1)C(C)C ZINC001480799239 1184611200 /nfs/dbraw/zinc/61/12/00/1184611200.db2.gz REHVJCHGAUQIES-ZBFHGGJFSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001480811679 1184614207 /nfs/dbraw/zinc/61/42/07/1184614207.db2.gz BNKQSAMBIXUSRE-GDBMZVCRSA-N 0 3 322.880 3.411 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC001493096078 1184647377 /nfs/dbraw/zinc/64/73/77/1184647377.db2.gz BZLJKCWVICJTCP-FQEVSTJZSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001493235861 1184673137 /nfs/dbraw/zinc/67/31/37/1184673137.db2.gz YNKLWFZWPUANMU-APWZRJJASA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCN(CCNC(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC001493440481 1184707753 /nfs/dbraw/zinc/70/77/53/1184707753.db2.gz NDXNXAAEPKADBH-UHFFFAOYSA-N 0 3 312.335 3.086 20 30 DGEDHN CCC[C@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)C(C)C ZINC001493714191 1184730042 /nfs/dbraw/zinc/73/00/42/1184730042.db2.gz RGAXEPGWQUCSFX-SFHVURJKSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)c(F)c1)c1ccccc1 ZINC001493894599 1184760626 /nfs/dbraw/zinc/76/06/26/1184760626.db2.gz LTDYLAOISALZFS-SFHVURJKSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCCCC(=O)N(CCC)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001493959957 1184775761 /nfs/dbraw/zinc/77/57/61/1184775761.db2.gz JKNUOCMOLRTQJL-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001493968958 1184780843 /nfs/dbraw/zinc/78/08/43/1184780843.db2.gz NIYSCTSJGLPUGY-SJORKVTESA-N 0 3 316.445 3.028 20 30 DGEDHN O=C(CC1CCC1)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001494005879 1184789252 /nfs/dbraw/zinc/78/92/52/1184789252.db2.gz VVTVSKGXHOLAPA-FQEVSTJZSA-N 0 3 324.468 3.057 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001494281047 1184843409 /nfs/dbraw/zinc/84/34/09/1184843409.db2.gz ZWBIVZUMVNNIAV-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001494322781 1184854146 /nfs/dbraw/zinc/85/41/46/1184854146.db2.gz NICVOTNWSXAOQN-AWEZNQCLSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001494330690 1184857589 /nfs/dbraw/zinc/85/75/89/1184857589.db2.gz AKQLFWRMMYDYSJ-KBPBESRZSA-N 0 3 321.490 3.254 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(COC)CCC1 ZINC001494662808 1184902689 /nfs/dbraw/zinc/90/26/89/1184902689.db2.gz GBHKQSVLHXWLTC-IRXDYDNUSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001494718757 1184912398 /nfs/dbraw/zinc/91/23/98/1184912398.db2.gz JXTAOMPPXWPAQI-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC001494754626 1184921601 /nfs/dbraw/zinc/92/16/01/1184921601.db2.gz CZFGVSOUUKSDME-KOTDBNOLSA-N 0 3 324.468 3.330 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001494865368 1184949579 /nfs/dbraw/zinc/94/95/79/1184949579.db2.gz WWKIMUKCKDREIR-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001494899664 1184957063 /nfs/dbraw/zinc/95/70/63/1184957063.db2.gz AMYWIHUKXKKKEY-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494913827 1184960243 /nfs/dbraw/zinc/96/02/43/1184960243.db2.gz PKFVGLWGSHLZGT-SJORKVTESA-N 0 3 306.494 3.395 20 30 DGEDHN CC[C@@H]1C[C@H]1C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001495192523 1185010248 /nfs/dbraw/zinc/01/02/48/1185010248.db2.gz UFKGYMBROZWJMK-RTBURBONSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001495576392 1185076623 /nfs/dbraw/zinc/07/66/23/1185076623.db2.gz WFTBNJUJIFVHEN-CQSZACIVSA-N 0 3 317.458 3.057 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001496005549 1185124362 /nfs/dbraw/zinc/12/43/62/1185124362.db2.gz WXRHHWHLCVHMJZ-HUUCEWRRSA-N 0 3 320.864 3.174 20 30 DGEDHN CCCC(=O)N1CCCC[C@H]1CCNCc1ccccc1C#N ZINC001496377032 1185177778 /nfs/dbraw/zinc/17/77/78/1185177778.db2.gz UELYMEIPLJKJOO-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1ccc(F)cc1F)C(C)C ZINC001496589442 1185217035 /nfs/dbraw/zinc/21/70/35/1185217035.db2.gz IXDHXJQIHHCDOG-MRXNPFEDSA-N 0 3 324.415 3.407 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC001496715145 1185236316 /nfs/dbraw/zinc/23/63/16/1185236316.db2.gz OTOWDHXCISKFEI-UHFFFAOYSA-N 0 3 320.864 3.338 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC001496804685 1185251189 /nfs/dbraw/zinc/25/11/89/1185251189.db2.gz KTRAOXQXWKNXQS-FQEVSTJZSA-N 0 3 314.473 3.247 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(F)c(C)cc1F ZINC001497204659 1185296578 /nfs/dbraw/zinc/29/65/78/1185296578.db2.gz DUEOYEBQSYACRU-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2ccccc2n1C ZINC001497257789 1185305618 /nfs/dbraw/zinc/30/56/18/1185305618.db2.gz WNBPHQWWSCDGJI-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C(F)F)cc1 ZINC001497291242 1185311366 /nfs/dbraw/zinc/31/13/66/1185311366.db2.gz VEGQEKNZOHYZNG-LLVKDONJSA-N 0 3 316.779 3.475 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2ccnc(Cl)c2)C1 ZINC001497451102 1185335673 /nfs/dbraw/zinc/33/56/73/1185335673.db2.gz HOVMSZSVNIRBPW-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccc(OC)cc1 ZINC001497659844 1185371290 /nfs/dbraw/zinc/37/12/90/1185371290.db2.gz YURQLDJPDKXHFY-SREVYHEPSA-N 0 3 316.445 3.060 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1c(C)cccc1Cl ZINC001498091303 1185434953 /nfs/dbraw/zinc/43/49/53/1185434953.db2.gz RXWXERAMZOFBHI-HNNXBMFYSA-N 0 3 320.864 3.436 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001498369120 1185480298 /nfs/dbraw/zinc/48/02/98/1185480298.db2.gz JFKKTYBHIMZACW-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001499025064 1185595132 /nfs/dbraw/zinc/59/51/32/1185595132.db2.gz CCYVXMLJPHYNRC-QYZOEREBSA-N 0 3 312.457 3.022 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC(C)(C)CC(F)(F)F ZINC001499109300 1185613854 /nfs/dbraw/zinc/61/38/54/1185613854.db2.gz YYABVWFTWOCWEG-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCN1CC1CC1)c1ccccc1 ZINC001499139656 1185618264 /nfs/dbraw/zinc/61/82/64/1185618264.db2.gz ZWIQBIGQCKHDSO-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001499135507 1185619172 /nfs/dbraw/zinc/61/91/72/1185619172.db2.gz AYRRXHKQCIAOCM-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001499238066 1185629147 /nfs/dbraw/zinc/62/91/47/1185629147.db2.gz PXKYMAJJCHMTFM-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C/Cl)C1 ZINC001499479939 1185655363 /nfs/dbraw/zinc/65/53/63/1185655363.db2.gz AXFYHJXLERQNRX-XYGPEJJOSA-N 0 3 322.880 3.101 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C(C)(F)F)CC1 ZINC001499523007 1185663568 /nfs/dbraw/zinc/66/35/68/1185663568.db2.gz IZZVPESMFZMCIN-UHFFFAOYSA-N 0 3 320.811 3.097 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@H](C)CC(C)C)C2)CC1 ZINC001499584936 1185672210 /nfs/dbraw/zinc/67/22/10/1185672210.db2.gz MRIVUOZGTDTOHS-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN(C(=O)C1CC2(CC2)C1)C1CCN(CC=C(C)C)CC1 ZINC001500046911 1185733728 /nfs/dbraw/zinc/73/37/28/1185733728.db2.gz CYFWFCFPDDIBTE-UHFFFAOYSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN(C(=O)[C@H](CC)CCC)C1CCN(CC(=C)C)CC1 ZINC001500053978 1185735029 /nfs/dbraw/zinc/73/50/29/1185735029.db2.gz GZIIUQNFFFWKSA-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C1CC=CC1)c1ccc2ccccc2c1 ZINC001500060612 1185736423 /nfs/dbraw/zinc/73/64/23/1185736423.db2.gz SFYHZMZPYUWHMR-HXUWFJFHSA-N 0 3 318.420 3.186 20 30 DGEDHN CC#CCCCC(=O)N[C@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001500251577 1185763944 /nfs/dbraw/zinc/76/39/44/1185763944.db2.gz SFHJJYOSQIKMQV-NZIDHHNMSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2c(C)cccc2Cl)CC1 ZINC001500444674 1185793684 /nfs/dbraw/zinc/79/36/84/1185793684.db2.gz RYSPBANFCBRFRG-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccc(Cl)cc2)C1 ZINC001500549939 1185820124 /nfs/dbraw/zinc/82/01/24/1185820124.db2.gz HVPFSEZAESOOQG-GOSISDBHSA-N 0 3 320.864 3.287 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)C)c1ccccc1CC ZINC001501021405 1185857255 /nfs/dbraw/zinc/85/72/55/1185857255.db2.gz GKWIAZUMYFQXBL-QGZVFWFLSA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)C=C)c1ccccc1CC ZINC001501022544 1185857743 /nfs/dbraw/zinc/85/77/43/1185857743.db2.gz PGHHKBYATUNNKC-KRWDZBQOSA-N 0 3 300.446 3.394 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NCc2ncc(C)s2)C1 ZINC001501050483 1185861233 /nfs/dbraw/zinc/86/12/33/1185861233.db2.gz KJLDHLBKRBKAPM-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001501402974 1185901282 /nfs/dbraw/zinc/90/12/82/1185901282.db2.gz BNFKPMXPBXIIPA-OKZBNKHCSA-N 0 3 304.478 3.147 20 30 DGEDHN CCCCC(=O)N1CC[C@@H](CCNCc2ccccc2C#N)C1 ZINC001501535139 1185906996 /nfs/dbraw/zinc/90/69/96/1185906996.db2.gz YUWUWMAIKREIAL-MRXNPFEDSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H](C)c2ccco2)C1 ZINC001501638705 1185914935 /nfs/dbraw/zinc/91/49/35/1185914935.db2.gz ZSZLXQLYMFDIGT-ZFWWWQNUSA-N 0 3 324.852 3.354 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)CCC)cc1 ZINC001501673507 1185919932 /nfs/dbraw/zinc/91/99/32/1185919932.db2.gz PVECXOUHCCSYSS-HOTGVXAUSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001501737658 1185927702 /nfs/dbraw/zinc/92/77/02/1185927702.db2.gz WLGIXQQDPDDMTI-VMPITWQZSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2c(C)noc2C)CC1 ZINC001502124781 1185957409 /nfs/dbraw/zinc/95/74/09/1185957409.db2.gz VOGLNKRCTSVPPV-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CCC)CCC1)C2 ZINC001502545623 1185995522 /nfs/dbraw/zinc/99/55/22/1185995522.db2.gz DPYJJSBYSQWUIQ-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001502745309 1186006476 /nfs/dbraw/zinc/00/64/76/1186006476.db2.gz SMBUZKLADUHWNC-NWDGAFQWSA-N 0 3 319.276 3.344 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2cccs2)C[C@@H]1C ZINC001503013453 1186035100 /nfs/dbraw/zinc/03/51/00/1186035100.db2.gz GALKNARGFSEDDH-HOTGVXAUSA-N 0 3 318.486 3.063 20 30 DGEDHN C=CCC[C@@H](C)N1CCc2ccccc2[C@H]1CNC(=O)C(F)F ZINC001503668462 1186050921 /nfs/dbraw/zinc/05/09/21/1186050921.db2.gz XQCQDGOYHMUFKJ-CZUORRHYSA-N 0 3 322.399 3.322 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001505395695 1186064815 /nfs/dbraw/zinc/06/48/15/1186064815.db2.gz USYYXIIPEXMVCI-OAHLLOKOSA-N 0 3 312.885 3.346 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1cncc(F)c1 ZINC001505408262 1186070163 /nfs/dbraw/zinc/07/01/63/1186070163.db2.gz NPOPVKGTNDMJBK-KRWDZBQOSA-N 0 3 319.424 3.048 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cccc2ccccc21 ZINC001505459152 1186087985 /nfs/dbraw/zinc/08/79/85/1186087985.db2.gz LJNLKOKXEKQODX-IBGZPJMESA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1cc(F)ccc1F ZINC001505464737 1186089889 /nfs/dbraw/zinc/08/98/89/1186089889.db2.gz BMEYQCYCRAEGLB-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC001505909943 1186161732 /nfs/dbraw/zinc/16/17/32/1186161732.db2.gz JWRAMQYEFKXGHV-INIZCTEOSA-N 0 3 312.457 3.304 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C/C=C\c1ccccc1 ZINC001505915952 1186163708 /nfs/dbraw/zinc/16/37/08/1186163708.db2.gz ACBMXGPJPQTHQH-QJWNTBNXSA-N 0 3 312.457 3.186 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1csc2cc(C)ccc21 ZINC001505926725 1186164590 /nfs/dbraw/zinc/16/45/90/1186164590.db2.gz HYJYNUVWGSSDKL-CYBMUJFWSA-N 0 3 302.443 3.446 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2ccc(CF)cc2)C1 ZINC001505997085 1186177466 /nfs/dbraw/zinc/17/74/66/1186177466.db2.gz UZCWJPFIUJZCRU-HNNXBMFYSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CCC(C)(C)c1ccccc1 ZINC001506067315 1186192925 /nfs/dbraw/zinc/19/29/25/1186192925.db2.gz LDNZKQJFHXZAON-MRXNPFEDSA-N 0 3 302.462 3.367 20 30 DGEDHN CCCC(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001506489985 1186233055 /nfs/dbraw/zinc/23/30/55/1186233055.db2.gz LXTNPHBQYMQEPX-UHFFFAOYSA-N 0 3 312.457 3.247 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001506638692 1186265599 /nfs/dbraw/zinc/26/55/99/1186265599.db2.gz BEKTXEZBDXJIIU-INIZCTEOSA-N 0 3 314.473 3.452 20 30 DGEDHN C#CCC1(C(=O)N[C@H](C)C2CN(CC=C(C)C)C2)CCCCC1 ZINC001506681505 1186274562 /nfs/dbraw/zinc/27/45/62/1186274562.db2.gz JBSHMFQAFRIHAK-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC/C=C\c2ccccc2)C(C)(C)C1 ZINC001506746640 1186286278 /nfs/dbraw/zinc/28/62/78/1186286278.db2.gz MTHSHXSHFUKPEC-XSZJWBAASA-N 0 3 312.457 3.493 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001506749211 1186286936 /nfs/dbraw/zinc/28/69/36/1186286936.db2.gz YYKGDRXUARSRJG-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001506895653 1186306821 /nfs/dbraw/zinc/30/68/21/1186306821.db2.gz AWEUYNWCOFRMCX-ZQIUZPCESA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCOCC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC001507064020 1186353623 /nfs/dbraw/zinc/35/36/23/1186353623.db2.gz UTIMRGDOUZIMHV-ZIAGYGMSSA-N 0 3 324.852 3.040 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccccc1F ZINC001507070820 1186355060 /nfs/dbraw/zinc/35/50/60/1186355060.db2.gz MKQGCNGVFNJZHK-GJZGRUSLSA-N 0 3 304.409 3.127 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001507076261 1186355697 /nfs/dbraw/zinc/35/56/97/1186355697.db2.gz OQHXWPMWFSEADX-KGLIPLIRSA-N 0 3 322.399 3.122 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@@]1(C)CC=CCC1)NCC#Cc1ccccc1 ZINC001507079572 1186355737 /nfs/dbraw/zinc/35/57/37/1186355737.db2.gz ZXEUCKQJQNRYSG-NQIIRXRSSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001507108174 1186361894 /nfs/dbraw/zinc/36/18/94/1186361894.db2.gz TXTDFZYOYSKVMV-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@H]1C ZINC001507312870 1186387912 /nfs/dbraw/zinc/38/79/12/1186387912.db2.gz GMRVEGYKPCSSBU-ZBFHGGJFSA-N 0 3 318.848 3.078 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccc(C)cc2)[C@H]1C ZINC001507384413 1186412506 /nfs/dbraw/zinc/41/25/06/1186412506.db2.gz QJAZEJXGWCKDIT-IEBWSBKVSA-N 0 3 314.473 3.473 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@H]1CCCC1(F)F)C(C)C ZINC001507827751 1186448107 /nfs/dbraw/zinc/44/81/07/1186448107.db2.gz GTOYDPALKRZUON-OAHLLOKOSA-N 0 3 314.420 3.004 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(C)C ZINC001507839728 1186449101 /nfs/dbraw/zinc/44/91/01/1186449101.db2.gz DTYJEZIJZFAEJP-BWTSREIZSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2cnccc2c1)C(C)C ZINC001507854962 1186450239 /nfs/dbraw/zinc/45/02/39/1186450239.db2.gz OCEPWQIRSAFNLA-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC001507850198 1186450289 /nfs/dbraw/zinc/45/02/89/1186450289.db2.gz ZHVJTRGNGNBUBT-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Br)CNC[C@@H](NC(=O)[C@H](C)CC)C(C)(C)C ZINC001507886881 1186454614 /nfs/dbraw/zinc/45/46/14/1186454614.db2.gz KWCZMZSKKZQTMB-ZYHUDNBSSA-N 0 3 319.287 3.062 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001508068928 1186476812 /nfs/dbraw/zinc/47/68/12/1186476812.db2.gz RNIXVDBAJOJXID-AEFFLSMTSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC001508218467 1186490480 /nfs/dbraw/zinc/49/04/80/1186490480.db2.gz HHXSRHVCYRGPMN-MRXNPFEDSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC001508226052 1186491091 /nfs/dbraw/zinc/49/10/91/1186491091.db2.gz YLKIRNBXJQJPKK-SFHVURJKSA-N 0 3 310.441 3.041 20 30 DGEDHN C[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC001611798145 1193441765 /nfs/dbraw/zinc/44/17/65/1193441765.db2.gz PAUARHZYHIYYAA-CHWSQXEVSA-N 0 3 302.378 3.141 20 30 DGEDHN CC(Cl)(Cl)C(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC001515836765 1186772156 /nfs/dbraw/zinc/77/21/56/1186772156.db2.gz MJTBRPARUDLWMF-LBPRGKRZSA-N 0 3 322.195 3.301 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1CCc2ccccc2CC1 ZINC001517047046 1186800972 /nfs/dbraw/zinc/80/09/72/1186800972.db2.gz RXOXBBXLASGAMN-QGZVFWFLSA-N 0 3 307.397 3.274 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(c2ccnc(C#N)c2)CC1 ZINC001612039559 1193445715 /nfs/dbraw/zinc/44/57/15/1193445715.db2.gz DNGNEYHSNXEWST-LJQANCHMSA-N 0 3 306.413 3.227 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001520036122 1186912162 /nfs/dbraw/zinc/91/21/62/1186912162.db2.gz JZOHCNANWHALEL-GRYCIOLGSA-N 0 3 315.323 3.161 20 30 DGEDHN CCC[C@@H]1C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001520449886 1186945675 /nfs/dbraw/zinc/94/56/75/1186945675.db2.gz WTMDCXJNZFZQEZ-RAIGVLPGSA-N 0 3 308.328 3.131 20 30 DGEDHN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703121 1187261572 /nfs/dbraw/zinc/26/15/72/1187261572.db2.gz AGTXJTFJDFSDBB-XEHSLEBBSA-N 0 3 318.311 3.054 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(C)C ZINC001525312880 1187307158 /nfs/dbraw/zinc/30/71/58/1187307158.db2.gz VAULHVQXUPYBDP-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC001525461968 1187315841 /nfs/dbraw/zinc/31/58/41/1187315841.db2.gz GOBULLZMUNIDTL-XABWRGDLSA-N 0 3 324.424 3.036 20 30 DGEDHN C=CC(C)(C)CC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC001544480536 1188395156 /nfs/dbraw/zinc/39/51/56/1188395156.db2.gz ZUHBPFLBNKNYEP-MRXNPFEDSA-N 0 3 300.446 3.498 20 30 DGEDHN C=CC[C@@H]1N(Cc2cncc(C(=O)OC)c2)CCCC1(C)C ZINC001617604594 1193574869 /nfs/dbraw/zinc/57/48/69/1193574869.db2.gz VCKWMTWRCIOOFM-INIZCTEOSA-N 0 3 302.418 3.435 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCC1(F)F ZINC001565821576 1188978784 /nfs/dbraw/zinc/97/87/84/1188978784.db2.gz MIUIIYGHRNCKHD-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCCN1C(C)C ZINC001556215242 1188990327 /nfs/dbraw/zinc/99/03/27/1188990327.db2.gz VNBQJYQUXNDDEG-SFHVURJKSA-N 0 3 316.445 3.396 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CC(C)(F)F ZINC001565938138 1189133391 /nfs/dbraw/zinc/13/33/91/1189133391.db2.gz FVKZYNVVXPKMRT-AAEUAGOBSA-N 0 3 322.827 3.391 20 30 DGEDHN C=CCN(CCOc1ccc2c(c1)OCO2)CCc1ccco1 ZINC001559689473 1189232056 /nfs/dbraw/zinc/23/20/56/1189232056.db2.gz PSYRBFKNNYVGHX-UHFFFAOYSA-N 0 3 315.369 3.118 20 30 DGEDHN C#CCOCCN(C)Cc1cc(Cl)cc(Br)c1 ZINC001559720284 1189234134 /nfs/dbraw/zinc/23/41/34/1189234134.db2.gz WKAJBOPPVIPLNY-UHFFFAOYSA-N 0 3 316.626 3.184 20 30 DGEDHN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(CCCC#N)[C@@H]1C ZINC001559947777 1189261363 /nfs/dbraw/zinc/26/13/63/1189261363.db2.gz BSSOJUUQAYXGKZ-RBSFLKMASA-N 0 3 309.454 3.304 20 30 DGEDHN CN(Cc1cnc2ccccc2c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001559975947 1189265049 /nfs/dbraw/zinc/26/50/49/1189265049.db2.gz DBKCAQNSTZLGMS-HXUWFJFHSA-N 0 3 317.392 3.272 20 30 DGEDHN N#Cc1ccc(N2CCN([C@@H]3CCc4ccccc43)CC2)cc1 ZINC001560077356 1189275890 /nfs/dbraw/zinc/27/58/90/1189275890.db2.gz ISISHRVEYIKGKK-HXUWFJFHSA-N 0 3 303.409 3.368 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCN(CCCc2ccccc2)CC1 ZINC001560077277 1189275938 /nfs/dbraw/zinc/27/59/38/1189275938.db2.gz GLVRWNQNBHIAKP-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN N#Cc1ccc(N2CCN([C@H]3CCc4ccccc43)CC2)cc1 ZINC001560077355 1189275999 /nfs/dbraw/zinc/27/59/99/1189275999.db2.gz ISISHRVEYIKGKK-FQEVSTJZSA-N 0 3 303.409 3.368 20 30 DGEDHN C#CC1(NCc2ccc(OC(=O)CC)c(OCC)c2)CCCC1 ZINC001560569161 1189342740 /nfs/dbraw/zinc/34/27/40/1189342740.db2.gz LUKQSGRYYOMZNW-UHFFFAOYSA-N 0 3 315.413 3.436 20 30 DGEDHN COc1ccc(F)cc1CCNCc1ccc(C#N)cc1F ZINC001560589076 1189344925 /nfs/dbraw/zinc/34/49/25/1189344925.db2.gz BNBVHPVOGLJEMS-UHFFFAOYSA-N 0 3 302.324 3.177 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H](CC(N)=O)c1ccc(Cl)cc1 ZINC001560741675 1189372645 /nfs/dbraw/zinc/37/26/45/1189372645.db2.gz GSPKRCZOUDWOGC-BXUZGUMPSA-N 0 3 307.825 3.174 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)[nH]ccc2=O ZINC001560922287 1189405193 /nfs/dbraw/zinc/40/51/93/1189405193.db2.gz PSGYWMJSYIKPIY-UHFFFAOYSA-N 0 3 317.392 3.306 20 30 DGEDHN Cc1cccnc1[C@H]1CCC[C@H](NCC2(C#N)CCOCC2)C1 ZINC001561045285 1189425795 /nfs/dbraw/zinc/42/57/95/1189425795.db2.gz WWDKYIQZYFUWFH-IRXDYDNUSA-N 0 3 313.445 3.326 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC001563751546 1189531041 /nfs/dbraw/zinc/53/10/41/1189531041.db2.gz WVQDYBUEJRFTBH-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001565820905 1189676102 /nfs/dbraw/zinc/67/61/02/1189676102.db2.gz FCUYXWGMIFXEKX-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCC)C(C)(C)[C@H]21 ZINC001565993092 1189710230 /nfs/dbraw/zinc/71/02/30/1189710230.db2.gz OOWDUGOFSGDOLH-NXHRZFHOSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(C)(C)C1CC1 ZINC001565994870 1189711647 /nfs/dbraw/zinc/71/16/47/1189711647.db2.gz LKNJNNBLQSGBDV-BPQIPLTHSA-N 0 3 316.489 3.051 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@H]1CC ZINC001566029480 1189719515 /nfs/dbraw/zinc/71/95/15/1189719515.db2.gz GEBBFRCYNKJYET-JCGIZDLHSA-N 0 3 318.436 3.159 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCOC2CCCCCC2)[C@@H]1C ZINC001566082822 1189731115 /nfs/dbraw/zinc/73/11/15/1189731115.db2.gz QCXMNJLXVONBJC-AEFFLSMTSA-N 0 3 322.493 3.271 20 30 DGEDHN CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001566525295 1189790797 /nfs/dbraw/zinc/79/07/97/1189790797.db2.gz ULQHNAZWWOUBKL-MJGOQNOKSA-N 0 3 312.457 3.197 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001566611973 1189823434 /nfs/dbraw/zinc/82/34/34/1189823434.db2.gz WBISIPALAASLIE-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ocnc2C)C1 ZINC001566619806 1189826387 /nfs/dbraw/zinc/82/63/87/1189826387.db2.gz WFQKTLFETVXMQL-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001566626323 1189832321 /nfs/dbraw/zinc/83/23/21/1189832321.db2.gz IRLSURPPOXOZLH-OAHLLOKOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ncccc2F)C1 ZINC001566631318 1189837242 /nfs/dbraw/zinc/83/72/42/1189837242.db2.gz RBZMXZYNXMQGTQ-HNNXBMFYSA-N 0 3 319.424 3.161 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC001566664208 1189848450 /nfs/dbraw/zinc/84/84/50/1189848450.db2.gz GGOBVKNLWRWTSZ-QGZVFWFLSA-N 0 3 316.445 3.002 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001566671888 1189852119 /nfs/dbraw/zinc/85/21/19/1189852119.db2.gz IDRPPCYRQHDKCN-QGZVFWFLSA-N 0 3 318.486 3.249 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001566681986 1189857276 /nfs/dbraw/zinc/85/72/76/1189857276.db2.gz LOIGPJIESBOLHF-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001566750340 1189889909 /nfs/dbraw/zinc/88/99/09/1189889909.db2.gz DMLUFSSXAFTXQC-QKDSSNGWSA-N 0 3 316.489 3.453 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001566755089 1189891832 /nfs/dbraw/zinc/89/18/32/1189891832.db2.gz VEGRJLZYFJTDTM-IYBDPMFKSA-N 0 3 315.461 3.222 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCCC2 ZINC001566757971 1189893316 /nfs/dbraw/zinc/89/33/16/1189893316.db2.gz WCHWQFLDZOWUAJ-BBWFWOEESA-N 0 3 302.462 3.208 20 30 DGEDHN O=C(CC1=CCCCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001566785348 1189901594 /nfs/dbraw/zinc/90/15/94/1189901594.db2.gz LWCQCLDOLNGWFZ-MXVIHJGJSA-N 0 3 322.452 3.165 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001566872292 1189933748 /nfs/dbraw/zinc/93/37/48/1189933748.db2.gz VTRPZFXGMSRCCS-QGZVFWFLSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CC(C)C)CCCC2)C1 ZINC001566879345 1189936638 /nfs/dbraw/zinc/93/66/38/1189936638.db2.gz KBCJTWLKTOMAGF-SFHVURJKSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnoc2C)C1 ZINC001566962557 1189973366 /nfs/dbraw/zinc/97/33/66/1189973366.db2.gz JJIXBXQQAXECEZ-ZBFHGGJFSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001566984378 1189980977 /nfs/dbraw/zinc/98/09/77/1189980977.db2.gz MCCRKNLDNYYQBU-UHFFFAOYSA-N 0 3 321.490 3.262 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2CCC)C1 ZINC001567195238 1190062024 /nfs/dbraw/zinc/06/20/24/1190062024.db2.gz LMRIZLGKZNKEBU-SFHVURJKSA-N 0 3 312.457 3.199 20 30 DGEDHN CC[C@H](C)CC(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001567214580 1190074889 /nfs/dbraw/zinc/07/48/89/1190074889.db2.gz WNMSYJPHBGAALZ-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@@H](C)CC(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001567214586 1190075308 /nfs/dbraw/zinc/07/53/08/1190075308.db2.gz WNMSYJPHBGAALZ-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(Cl)c(C)c1 ZINC001567226694 1190080421 /nfs/dbraw/zinc/08/04/21/1190080421.db2.gz AHRKMALUDAZDTI-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC12CCC2 ZINC001567259403 1190098252 /nfs/dbraw/zinc/09/82/52/1190098252.db2.gz DPIZRVQIUOEATJ-LSDHHAIUSA-N 0 3 310.869 3.290 20 30 DGEDHN C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)C#CC(C)(C)C ZINC001567280223 1190110117 /nfs/dbraw/zinc/11/01/17/1190110117.db2.gz XUODIIGHQIKUOX-AWEZNQCLSA-N 0 3 320.864 3.499 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001567342077 1190140792 /nfs/dbraw/zinc/14/07/92/1190140792.db2.gz XQLNNWKLCLUESA-SOFYXZRVSA-N 0 3 311.429 3.019 20 30 DGEDHN C=C/C(C)=C/CC(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001567342076 1190141177 /nfs/dbraw/zinc/14/11/77/1190141177.db2.gz XQLNNWKLCLUESA-OMCISZLKSA-N 0 3 311.429 3.019 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001567382268 1190163153 /nfs/dbraw/zinc/16/31/53/1190163153.db2.gz HJJBIZPHKDQMPJ-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](CCC)c1ccccc1 ZINC001567391731 1190168043 /nfs/dbraw/zinc/16/80/43/1190168043.db2.gz VQHUUNXIOQFOKH-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001567409394 1190175506 /nfs/dbraw/zinc/17/55/06/1190175506.db2.gz GYEHKTOGKXAYTQ-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1c(C)cccc1C)C1CC1 ZINC001567438033 1190193261 /nfs/dbraw/zinc/19/32/61/1190193261.db2.gz WOWIUVQBZXWLIO-UHFFFAOYSA-N 0 3 300.446 3.350 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001567473039 1190206206 /nfs/dbraw/zinc/20/62/06/1190206206.db2.gz QMWDQWQAQALLQO-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1 ZINC001567653803 1190238196 /nfs/dbraw/zinc/23/81/96/1190238196.db2.gz DBOCYJZHXQFVFS-LZQZEXGQSA-N 0 3 312.457 3.236 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cncc(C)c1)c1ccccc1 ZINC001567658113 1190239584 /nfs/dbraw/zinc/23/95/84/1190239584.db2.gz YEJYAYVQJVNEIV-GOSISDBHSA-N 0 3 309.413 3.027 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C(C)C)nc1)c1ccccc1 ZINC001567660075 1190241206 /nfs/dbraw/zinc/24/12/06/1190241206.db2.gz SPIHAPZGFSYMGB-LJQANCHMSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccccc2F)C1 ZINC001567688420 1190254268 /nfs/dbraw/zinc/25/42/68/1190254268.db2.gz JCZIUSSKWKFQTO-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN CC(C)N1CCC[C@H](N(Cc2ccccc2)C(=O)C#CC2CC2)C1 ZINC001567745291 1190284052 /nfs/dbraw/zinc/28/40/52/1190284052.db2.gz MAKMFVXVUYITLA-FQEVSTJZSA-N 0 3 324.468 3.301 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)o1 ZINC001567855164 1190323434 /nfs/dbraw/zinc/32/34/34/1190323434.db2.gz SYBBXKPCVPTGQK-IRXDYDNUSA-N 0 3 318.461 3.386 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CCC2)CCC1 ZINC001567860832 1190325820 /nfs/dbraw/zinc/32/58/20/1190325820.db2.gz YJUPVLPLOPCYTA-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001567907937 1190345048 /nfs/dbraw/zinc/34/50/48/1190345048.db2.gz ZUJZOCKJUMXBHO-SFHVURJKSA-N 0 3 300.446 3.248 20 30 DGEDHN CCCc1ccc(CN2CC[C@@H](N(C)C(=O)C#CC3CC3)C2)cc1 ZINC001567912040 1190348084 /nfs/dbraw/zinc/34/80/84/1190348084.db2.gz SOTSCUGBDDXPEO-HXUWFJFHSA-N 0 3 324.468 3.085 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2(C(F)(F)F)CC2)C1 ZINC001567939918 1190366579 /nfs/dbraw/zinc/36/65/79/1190366579.db2.gz YOJIZTWRJRJLIJ-CYBMUJFWSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)NCc1cc2ccccc2o1 ZINC001567953030 1190373896 /nfs/dbraw/zinc/37/38/96/1190373896.db2.gz OUBHAWTUCODXTD-OAHLLOKOSA-N 0 3 300.402 3.383 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001567958847 1190375594 /nfs/dbraw/zinc/37/55/94/1190375594.db2.gz BSLCSWGHEDNGNP-LPDYGMJQSA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1cc2ccccc2o1 ZINC001567957972 1190376271 /nfs/dbraw/zinc/37/62/71/1190376271.db2.gz FLDYIORSGUJHQE-MRXNPFEDSA-N 0 3 312.413 3.077 20 30 DGEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)CC1(C)CC1)C1CC1 ZINC001568024810 1190401294 /nfs/dbraw/zinc/40/12/94/1190401294.db2.gz JSWBWIVIHYWXFR-OAQYLSRUSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001568136859 1190433404 /nfs/dbraw/zinc/43/34/04/1190433404.db2.gz QKHMLWKOSKUGHS-MRXNPFEDSA-N 0 3 318.848 3.224 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1csc(CC)n1 ZINC001568187325 1190445660 /nfs/dbraw/zinc/44/56/60/1190445660.db2.gz OZNSVARAOODMMK-ZDUSSCGKSA-N 0 3 323.506 3.150 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(F)cn2)CCCC1 ZINC001568235721 1190457518 /nfs/dbraw/zinc/45/75/18/1190457518.db2.gz TVGYHTPCCXQCBU-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C1=CCCCCC1 ZINC001568267722 1190468039 /nfs/dbraw/zinc/46/80/39/1190468039.db2.gz JJJVWIDVXKXEPR-SFHVURJKSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2ccns2)CCCC1 ZINC001568322364 1190490274 /nfs/dbraw/zinc/49/02/74/1190490274.db2.gz MLXIEFHFNHKANB-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC001568412975 1190513807 /nfs/dbraw/zinc/51/38/07/1190513807.db2.gz YSLVFCLSZUWZDN-HZPDHXFCSA-N 0 3 319.449 3.056 20 30 DGEDHN CC(C)C(=O)NC[C@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC001568444303 1190524204 /nfs/dbraw/zinc/52/42/04/1190524204.db2.gz QCLAHQMHQRUAIQ-KRWDZBQOSA-N 0 3 320.864 3.078 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1ccc(F)cn1)C(C)C ZINC001568459021 1190528329 /nfs/dbraw/zinc/52/83/29/1190528329.db2.gz JFRQVVOYUHVXRQ-INIZCTEOSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1occc1Cl)C(C)C ZINC001568462224 1190529001 /nfs/dbraw/zinc/52/90/01/1190529001.db2.gz HJJTWUUGZNNIOC-NSHDSACASA-N 0 3 305.205 3.030 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2ccccc2cc1F ZINC001568489190 1190543923 /nfs/dbraw/zinc/54/39/23/1190543923.db2.gz RFUCBPSLNARBTG-UHFFFAOYSA-N 0 3 300.377 3.169 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2c(o1)c(F)ccc2C ZINC001568491275 1190544145 /nfs/dbraw/zinc/54/41/45/1190544145.db2.gz MBRLZQCULLJTCF-UHFFFAOYSA-N 0 3 304.365 3.070 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001568493435 1190545079 /nfs/dbraw/zinc/54/50/79/1190545079.db2.gz SRCQITPWUKPYNE-QGZVFWFLSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001568554284 1190564604 /nfs/dbraw/zinc/56/46/04/1190564604.db2.gz MNQNNUAAHMSYEY-UHFFFAOYSA-N 0 3 323.506 3.312 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001568554065 1190564838 /nfs/dbraw/zinc/56/48/38/1190564838.db2.gz HOWPTXQQNIOZTF-HXUWFJFHSA-N 0 3 314.473 3.321 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)c(Cl)c1F ZINC001568551357 1190564934 /nfs/dbraw/zinc/56/49/34/1190564934.db2.gz AJQHONXQVSCGST-UHFFFAOYSA-N 0 3 312.816 3.367 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C)nc1C1CC1 ZINC001568662587 1190574854 /nfs/dbraw/zinc/57/48/54/1190574854.db2.gz JZQDPMQHRCRDQH-CYBMUJFWSA-N 0 3 321.852 3.118 20 30 DGEDHN C=CCCC(=O)NC/C=C/CN[C@@H]1CCc2c1cc(F)cc2F ZINC001568825144 1190592400 /nfs/dbraw/zinc/59/24/00/1190592400.db2.gz FQDJUUIGMZXDTI-LAQIPUCWSA-N 0 3 320.383 3.180 20 30 DGEDHN C[C@@H](NC/C=C\CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC001568847879 1190594550 /nfs/dbraw/zinc/59/45/50/1190594550.db2.gz AQXDINGKCBESEK-PYLYLYNFSA-N 0 3 316.832 3.076 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001568857842 1190595620 /nfs/dbraw/zinc/59/56/20/1190595620.db2.gz ZNUYJJTXRKNHNF-PLNGDYQASA-N 0 3 304.409 3.252 20 30 DGEDHN C=CC1(CC(=O)N[C@@H](C)CNCc2cncs2)CCCCC1 ZINC001569084590 1190619160 /nfs/dbraw/zinc/61/91/60/1190619160.db2.gz CUOWYLVNNRRSAB-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001569235071 1190655493 /nfs/dbraw/zinc/65/54/93/1190655493.db2.gz GWWIAWREOHMEHA-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001569359988 1190674757 /nfs/dbraw/zinc/67/47/57/1190674757.db2.gz POJYNLNHRZQPLL-KRWDZBQOSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001569360980 1190675904 /nfs/dbraw/zinc/67/59/04/1190675904.db2.gz IMJJPEUYASNBPD-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001569362194 1190676192 /nfs/dbraw/zinc/67/61/92/1190676192.db2.gz WZFFBDHPWMMXPG-GXTWGEPZSA-N 0 3 323.387 3.178 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001569374426 1190682209 /nfs/dbraw/zinc/68/22/09/1190682209.db2.gz LUCNGWGRPGOQFB-MRXNPFEDSA-N 0 3 313.445 3.038 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccccc1C ZINC001569376009 1190683601 /nfs/dbraw/zinc/68/36/01/1190683601.db2.gz FDAHBHWLLCCBFV-IRXDYDNUSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001569381755 1190686645 /nfs/dbraw/zinc/68/66/45/1190686645.db2.gz WVNGRRJJVDDVLN-BBRMVZONSA-N 0 3 306.837 3.499 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H]1CCN1CCCCC)c1ccccc1 ZINC001569383623 1190687844 /nfs/dbraw/zinc/68/78/44/1190687844.db2.gz UNPPFXQNFNFZNJ-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001569384931 1190687945 /nfs/dbraw/zinc/68/79/45/1190687945.db2.gz WFFNREBNGNWKGD-LJQANCHMSA-N 0 3 312.457 3.336 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN2CCCCC)CCCCC1 ZINC001569386075 1190688690 /nfs/dbraw/zinc/68/86/90/1190688690.db2.gz JCLSTMSZLKVVQG-QGZVFWFLSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN2CCCCC)CCCCC1 ZINC001569386074 1190688978 /nfs/dbraw/zinc/68/89/78/1190688978.db2.gz JCLSTMSZLKVVQG-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2oc(C)nc2C)C[C@H]1C ZINC001569517038 1190712059 /nfs/dbraw/zinc/71/20/59/1190712059.db2.gz NTYKTJPITAPJFW-CJNGLKHVSA-N 0 3 319.449 3.117 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1ccc(Cl)nc1 ZINC001569553106 1190715979 /nfs/dbraw/zinc/71/59/79/1190715979.db2.gz ORRGGSHZQGGSMB-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC(C)(C)CC)C2 ZINC001569621280 1190724777 /nfs/dbraw/zinc/72/47/77/1190724777.db2.gz CQIRHSOKIWFADM-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)CC)C2 ZINC001569622771 1190725365 /nfs/dbraw/zinc/72/53/65/1190725365.db2.gz SJZUVYYNUNVYSI-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2cccc(F)c2F)C1 ZINC001569654758 1190734853 /nfs/dbraw/zinc/73/48/53/1190734853.db2.gz LKUJFNRHLZJKQI-GOSISDBHSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCc2ccc(C)s2)C1 ZINC001569657318 1190736481 /nfs/dbraw/zinc/73/64/81/1190736481.db2.gz XCNNOGDVWSCWLM-QGZVFWFLSA-N 0 3 306.475 3.146 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccc[nH]1)c1ccccc1CC ZINC001569801173 1190755571 /nfs/dbraw/zinc/75/55/71/1190755571.db2.gz ZSEUMMGNAPCVKQ-SFHVURJKSA-N 0 3 311.429 3.214 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CCCCC ZINC001569911928 1190773002 /nfs/dbraw/zinc/77/30/02/1190773002.db2.gz DAONDQWSRLWTOT-RCCFBDPRSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccccn1 ZINC001570025693 1190783647 /nfs/dbraw/zinc/78/36/47/1190783647.db2.gz LROJLHWRVHYUHK-UHFFFAOYSA-N 0 3 309.413 3.020 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(C)(C)C1CC1 ZINC001570026948 1190783909 /nfs/dbraw/zinc/78/39/09/1190783909.db2.gz OYMVCJBDILMMLD-UHFFFAOYSA-N 0 3 312.457 3.194 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)CC(C)C)C2 ZINC001570275570 1190835570 /nfs/dbraw/zinc/83/55/70/1190835570.db2.gz YIRUOAXUOKYQLS-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC/C=C/c2ccccc2)C[C@@H]1C ZINC001570444101 1190860442 /nfs/dbraw/zinc/86/04/42/1190860442.db2.gz BMJQNFKLXLJDNR-UCBJXKDQSA-N 0 3 310.441 3.082 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001570466705 1190865343 /nfs/dbraw/zinc/86/53/43/1190865343.db2.gz HVYVRLHRAOWRCQ-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)CCCF ZINC001570477924 1190867905 /nfs/dbraw/zinc/86/79/05/1190867905.db2.gz DDQTYFSHNFIKDN-GOSISDBHSA-N 0 3 318.436 3.418 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CN(C)CCOC1CCC1 ZINC001570532748 1190877496 /nfs/dbraw/zinc/87/74/96/1190877496.db2.gz MENNZDRTXFGSRE-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001570542711 1190882230 /nfs/dbraw/zinc/88/22/30/1190882230.db2.gz WGBXRVLXDHMXFA-APWZRJJASA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001570545635 1190884467 /nfs/dbraw/zinc/88/44/67/1190884467.db2.gz WMPJLOIBKNVVIS-HIFRSBDPSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(c2cccc(C)c2)CC1 ZINC001570549370 1190886535 /nfs/dbraw/zinc/88/65/35/1190886535.db2.gz XFSRUBCGLOARDZ-SFHVURJKSA-N 0 3 312.457 3.135 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CC(CNCc2ncc(C)s2)C1 ZINC001570569524 1190889051 /nfs/dbraw/zinc/88/90/51/1190889051.db2.gz OQWJPYCKLCMLHU-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](C)NCC#Cc1ccccc1 ZINC001570593466 1190895694 /nfs/dbraw/zinc/89/56/94/1190895694.db2.gz RFRZGOACRQYYJS-LHMZYYNSSA-N 0 3 312.457 3.123 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001570598154 1190897826 /nfs/dbraw/zinc/89/78/26/1190897826.db2.gz HTQMRBUCKIOEOY-ZIAGYGMSSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccccc1F ZINC001570624348 1190903982 /nfs/dbraw/zinc/90/39/82/1190903982.db2.gz KMCLJMKCEYNSIX-ZIAGYGMSSA-N 0 3 306.425 3.411 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCc1ccc(F)cn1 ZINC001570680638 1190916052 /nfs/dbraw/zinc/91/60/52/1190916052.db2.gz IPMIMHWHTWAXTK-UHFFFAOYSA-N 0 3 321.440 3.007 20 30 DGEDHN Cc1cc(Cl)ccc1CN(C)[C@H](C)CNC(=O)C#CC(C)C ZINC001570708807 1190924636 /nfs/dbraw/zinc/92/46/36/1190924636.db2.gz KJEFRVITYRFBAI-OAHLLOKOSA-N 0 3 320.864 3.244 20 30 DGEDHN CCCC[C@H](CNCc1ccccc1Cl)NC(=O)[C@@H](C)C#N ZINC001570807681 1190952968 /nfs/dbraw/zinc/95/29/68/1190952968.db2.gz QUUXPKFDUCFJJV-DZGCQCFKSA-N 0 3 321.852 3.264 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001570863495 1190968009 /nfs/dbraw/zinc/96/80/09/1190968009.db2.gz GKZFQDVFHXNHBS-KDOFPFPSSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C)OCC ZINC001570896449 1190972081 /nfs/dbraw/zinc/97/20/81/1190972081.db2.gz CQNJKAUZDSDMAM-IAGOWNOFSA-N 0 3 322.493 3.151 20 30 DGEDHN C[C@H](C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1)C1CC1 ZINC001571329778 1190994285 /nfs/dbraw/zinc/99/42/85/1190994285.db2.gz NVCCDZZFJNFOAW-KRWDZBQOSA-N 0 3 324.468 3.007 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001571366126 1191003306 /nfs/dbraw/zinc/00/33/06/1191003306.db2.gz JAXMTTAWLNBZEA-LJQANCHMSA-N 0 3 324.468 3.077 20 30 DGEDHN CCCCCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001571377117 1191007235 /nfs/dbraw/zinc/00/72/35/1191007235.db2.gz FSNJZGYVTJWXHK-INIZCTEOSA-N 0 3 318.436 3.194 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001571388884 1191010751 /nfs/dbraw/zinc/01/07/51/1191010751.db2.gz ACJMIHLXMCUKOU-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001571400306 1191014379 /nfs/dbraw/zinc/01/43/79/1191014379.db2.gz IQAXBZVPZALUJU-YGLIYXGISA-N 0 3 317.458 3.079 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001571400303 1191014820 /nfs/dbraw/zinc/01/48/20/1191014820.db2.gz IQAXBZVPZALUJU-BLXFFLACSA-N 0 3 317.458 3.079 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001571401722 1191015352 /nfs/dbraw/zinc/01/53/52/1191015352.db2.gz JGVYBFYPINRZBZ-LSDHHAIUSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)CC(F)(F)F)CCC[C@@H]12 ZINC001571505092 1191034813 /nfs/dbraw/zinc/03/48/13/1191034813.db2.gz MUYFRFJNKMEYCD-GZBFAFLISA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2csc(C)n2)C1 ZINC001571535809 1191046699 /nfs/dbraw/zinc/04/66/99/1191046699.db2.gz HBIXEOHZLDIJIK-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN CC1(C)CN(C(=O)CCC2CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001571554371 1191051459 /nfs/dbraw/zinc/05/14/59/1191051459.db2.gz HSGVQLTUULNOIM-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc[nH]c1C(C)C)C(C)C ZINC001571613728 1191058857 /nfs/dbraw/zinc/05/88/57/1191058857.db2.gz HNTSWTSWHITIDO-UHFFFAOYSA-N 0 3 305.466 3.497 20 30 DGEDHN CC(C)(C)[C@H](N)C(=O)N1CCCSC1=Nc1ccccc1 ZINC001573458641 1191433236 /nfs/dbraw/zinc/43/32/36/1191433236.db2.gz YPEIIJKUCJLWKA-CYBMUJFWSA-N 0 3 305.447 3.013 20 30 DGEDHN C#C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC001574505189 1191445467 /nfs/dbraw/zinc/44/54/67/1191445467.db2.gz PSYKGIMPNSXMNA-IRXDYDNUSA-N 0 3 312.800 3.221 20 30 DGEDHN CC#CC[C@H](N)C(=O)N(Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001574963516 1191460895 /nfs/dbraw/zinc/46/08/95/1191460895.db2.gz WESIEXZXOJGEJI-INIZCTEOSA-N 0 3 324.827 3.204 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC001576302511 1191558642 /nfs/dbraw/zinc/55/86/42/1191558642.db2.gz ULOIUEWJJPDKHT-LIRRHRJNSA-N 0 3 319.408 3.312 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001618813580 1193752780 /nfs/dbraw/zinc/75/27/80/1193752780.db2.gz ITJPLMSYIZHDPA-GOSISDBHSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCc2ccccc21 ZINC001618808164 1193752937 /nfs/dbraw/zinc/75/29/37/1193752937.db2.gz XAXWGYFUDXLNGY-GOSISDBHSA-N 0 3 300.446 3.073 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)nc1C(C)C ZINC001618823073 1193754110 /nfs/dbraw/zinc/75/41/10/1193754110.db2.gz XNDDAEIDOVJXLA-UHFFFAOYSA-N 0 3 303.450 3.093 20 30 DGEDHN CN1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1C(C)(C)C ZINC001619308316 1193757615 /nfs/dbraw/zinc/75/76/15/1193757615.db2.gz KVQPABKXWBUIBW-INIZCTEOSA-N 0 3 305.853 3.374 20 30 DGEDHN C[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1cc2cnccc2o1 ZINC001620528661 1193775649 /nfs/dbraw/zinc/77/56/49/1193775649.db2.gz QAHXRPCGXPNTEX-WBMJQRKESA-N 0 3 307.353 3.084 20 30 DGEDHN C#CCN(CC1(CC(=O)OC)CC1)[C@@H]1CCCc2ccccc21 ZINC001620612371 1193783252 /nfs/dbraw/zinc/78/32/52/1193783252.db2.gz CYEYDSMLUOBQTA-GOSISDBHSA-N 0 3 311.425 3.343 20 30 DGEDHN C#Cc1ccc(CN2CCCC[C@H]2COC(=O)NCCC)cc1 ZINC001621318174 1193829979 /nfs/dbraw/zinc/82/99/79/1193829979.db2.gz YJOUSXROTCUFFL-SFHVURJKSA-N 0 3 314.429 3.159 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001626744304 1194093240 /nfs/dbraw/zinc/09/32/40/1194093240.db2.gz CLOXJKXFNLMWDJ-KGLIPLIRSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C)CCCc2ccccc21 ZINC001626750612 1194093616 /nfs/dbraw/zinc/09/36/16/1194093616.db2.gz DKKKWCUSVIOVDY-HXUWFJFHSA-N 0 3 314.473 3.247 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001634640473 1194506413 /nfs/dbraw/zinc/50/64/13/1194506413.db2.gz DUJFMVINIZRCIZ-INIZCTEOSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001634783939 1194515893 /nfs/dbraw/zinc/51/58/93/1194515893.db2.gz ZIMBJNVGJUNGJC-IEBWSBKVSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1csc2c1CC[C@@H](C)C2 ZINC001635753383 1194569223 /nfs/dbraw/zinc/56/92/23/1194569223.db2.gz UMOPCLJIJQYSPU-CQSZACIVSA-N 0 3 320.502 3.453 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccnc2ccccc12 ZINC001635757888 1194570193 /nfs/dbraw/zinc/57/01/93/1194570193.db2.gz PBNUEBNGVQYVQM-KHPPLWFESA-N 0 3 323.440 3.214 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC001635757519 1194570306 /nfs/dbraw/zinc/57/03/06/1194570306.db2.gz AMHKDXWOFRZKAC-KSZLIROESA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001635854125 1194575871 /nfs/dbraw/zinc/57/58/71/1194575871.db2.gz YJJYGTWOVTYGTC-SJLPKXTDSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CN(C)CC1(C)C)c1ccccc1 ZINC001639138378 1194752756 /nfs/dbraw/zinc/75/27/56/1194752756.db2.gz AFGPYKNTCVPFOR-IRXDYDNUSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001640016525 1194791447 /nfs/dbraw/zinc/79/14/47/1194791447.db2.gz YSPXVCZDLDKAKB-ZBFHGGJFSA-N 0 3 322.399 3.035 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)C#Cc1cccs1 ZINC001641616539 1194863184 /nfs/dbraw/zinc/86/31/84/1194863184.db2.gz HNNOHNZMMMGVOM-UHFFFAOYSA-N 0 3 313.426 3.156 20 30 DGEDHN Cc1ccc(F)cc1NC(=O)CCN1CCC(C)(C#N)CC1 ZINC001642392750 1194907722 /nfs/dbraw/zinc/90/77/22/1194907722.db2.gz 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Cc1ccc(F)c(CN(CCCNC(=O)[C@H](C)C#N)C(C)C)c1 ZINC001664491709 1197005618 /nfs/dbraw/zinc/00/56/18/1197005618.db2.gz CNYYPFZTJNWWSY-OAHLLOKOSA-N 0 3 319.424 3.011 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001665049991 1197091613 /nfs/dbraw/zinc/09/16/13/1197091613.db2.gz JQFADMDAQVSKAP-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc(C#N)cc2)c1[O-] ZINC001665222889 1197111692 /nfs/dbraw/zinc/11/16/92/1197111692.db2.gz IXQQMRIUZOCBBB-UHFFFAOYSA-N 0 3 316.788 3.258 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CC/C=C/c2ccccc2)C1 ZINC001665293314 1197119398 /nfs/dbraw/zinc/11/93/98/1197119398.db2.gz KQEXWUUPTNUFND-UXBLZVDNSA-N 0 3 312.457 3.494 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCCC2 ZINC001665392753 1197131653 /nfs/dbraw/zinc/13/16/53/1197131653.db2.gz UNCGVNAYVCYEFO-ROUUACIJSA-N 0 3 324.468 3.430 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sc1C ZINC001665401122 1197133035 /nfs/dbraw/zinc/13/30/35/1197133035.db2.gz SIBDDKLRUNPFGH-GJZGRUSLSA-N 0 3 304.459 3.230 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1F ZINC001665416867 1197133617 /nfs/dbraw/zinc/13/36/17/1197133617.db2.gz OUHJTODHJUKDIT-JYJNAYRXSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCN(C)Cc2cccnc2)CCC1 ZINC001673466747 1197149291 /nfs/dbraw/zinc/14/92/91/1197149291.db2.gz DAFIHMVQBXMURJ-UHFFFAOYSA-N 0 3 315.461 3.108 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001665737563 1197183881 /nfs/dbraw/zinc/18/38/81/1197183881.db2.gz KZOQRXSMDREPOS-DLBZAZTESA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1ccccc1Cl ZINC001665782749 1197196097 /nfs/dbraw/zinc/19/60/97/1197196097.db2.gz UAJPKFMWLLOSHN-OAHLLOKOSA-N 0 3 306.837 3.128 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1ccc(Cl)nc1 ZINC001665828324 1197203401 /nfs/dbraw/zinc/20/34/01/1197203401.db2.gz MPHCTKSVXFRXCE-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cc[nH]c2C)CCCC[C@H]1C ZINC001666049078 1197231068 /nfs/dbraw/zinc/23/10/68/1197231068.db2.gz JFISTOOKKBWSKR-SJKOYZFVSA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001666073659 1197233452 /nfs/dbraw/zinc/23/34/52/1197233452.db2.gz NHVGERKBJSIBKV-CQSZACIVSA-N 0 3 324.827 3.410 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001666988150 1197306205 /nfs/dbraw/zinc/30/62/05/1197306205.db2.gz UENOBQJKGFVWFN-GUYCJALGSA-N 0 3 319.474 3.159 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001667055154 1197312119 /nfs/dbraw/zinc/31/21/19/1197312119.db2.gz ZLXKISYMDPAXHW-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ncc(C)s2)[C@@H](C)C1 ZINC001667197461 1197328624 /nfs/dbraw/zinc/32/86/24/1197328624.db2.gz IXKLIFZCTAZJBN-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001667226388 1197331388 /nfs/dbraw/zinc/33/13/88/1197331388.db2.gz HBKBVMKVIGUYDO-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(F)c1 ZINC001667556616 1197361667 /nfs/dbraw/zinc/36/16/67/1197361667.db2.gz FRUJAYJIAOECFS-HNNXBMFYSA-N 0 3 304.409 3.080 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNCc1nccs1 ZINC001667726437 1197383231 /nfs/dbraw/zinc/38/32/31/1197383231.db2.gz FPOUWKFQBCFOOA-ZIAGYGMSSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCNCc1nc(C)sc1C ZINC001668076527 1197398142 /nfs/dbraw/zinc/39/81/42/1197398142.db2.gz PWDKNAOUYMMGGO-LBPRGKRZSA-N 0 3 309.479 3.101 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001668069833 1197398330 /nfs/dbraw/zinc/39/83/30/1197398330.db2.gz BZKVNHXGDAPLDR-LBPRGKRZSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(F)cc1Cl ZINC001668296191 1197408562 /nfs/dbraw/zinc/40/85/62/1197408562.db2.gz YGPOQBNNAODFSC-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CNCc1sccc1Cl ZINC001669385276 1197451867 /nfs/dbraw/zinc/45/18/67/1197451867.db2.gz RGMDEENOPOFFLD-LLVKDONJSA-N 0 3 300.855 3.352 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001669377065 1197451872 /nfs/dbraw/zinc/45/18/72/1197451872.db2.gz OXRXCRMEIRRYEA-OAHLLOKOSA-N 0 3 312.413 3.221 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1CCCCCC1 ZINC001669521299 1197460218 /nfs/dbraw/zinc/46/02/18/1197460218.db2.gz XWFKLCKYGKYTJJ-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1ccc(C)cc1Cl ZINC001669639312 1197467189 /nfs/dbraw/zinc/46/71/89/1197467189.db2.gz NYSKULRPQZKJSZ-HNNXBMFYSA-N 0 3 320.864 3.436 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccc(F)c(Cl)c2)C1 ZINC001669662149 1197469485 /nfs/dbraw/zinc/46/94/85/1197469485.db2.gz QYXDEKXPHYJEMN-LBPRGKRZSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1ccccc1Cl ZINC001670334590 1197532636 /nfs/dbraw/zinc/53/26/36/1197532636.db2.gz LOXZHUAJKCESFO-UHFFFAOYSA-N 0 3 315.244 3.073 20 30 DGEDHN CCCC1(C(=O)N2CCC[C@H]2CNCC#Cc2ccccc2)CC1 ZINC001671347088 1197535799 /nfs/dbraw/zinc/53/57/99/1197535799.db2.gz NTHICOBXJADCBL-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCCCC(=O)NC1(C)CCN(C/C=C\c2ccccc2)CC1 ZINC001671412598 1197538636 /nfs/dbraw/zinc/53/86/36/1197538636.db2.gz RVBFCYDXNUTOBC-XFXZXTDPSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCN(C(=O)CC1CCCCC1)C1CCN(CC(=C)C)CC1 ZINC001671450975 1197541057 /nfs/dbraw/zinc/54/10/57/1197541057.db2.gz YMUAZWTYNZRWRV-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001671648535 1197557147 /nfs/dbraw/zinc/55/71/47/1197557147.db2.gz ICUQEUVBASIIFJ-LJQANCHMSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001671679269 1197561868 /nfs/dbraw/zinc/56/18/68/1197561868.db2.gz UMWMBCMLEUEWDZ-KDOFPFPSSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001671700263 1197563714 /nfs/dbraw/zinc/56/37/14/1197563714.db2.gz SDDAWFDYODYSNK-KXBFYZLASA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001671887545 1197580986 /nfs/dbraw/zinc/58/09/86/1197580986.db2.gz QVIYAWWXMNWAOW-AZUAARDMSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001672160557 1197593936 /nfs/dbraw/zinc/59/39/36/1197593936.db2.gz LPYJMOIMCPWQFY-ZERXYNDKSA-N 0 3 310.869 3.310 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2oc(C)cc2C)cc1 ZINC001672936903 1197629592 /nfs/dbraw/zinc/62/95/92/1197629592.db2.gz FHZWTNVCLVOQDJ-OAHLLOKOSA-N 0 3 310.397 3.110 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)co2)cc1 ZINC001672943054 1197629905 /nfs/dbraw/zinc/62/99/05/1197629905.db2.gz HZYDQNGWTVUMAE-OAHLLOKOSA-N 0 3 310.397 3.192 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2c(C)oc(C)c2C)cc1 ZINC001672943714 1197630031 /nfs/dbraw/zinc/63/00/31/1197630031.db2.gz QKCQKDPPGKOGJN-AWEZNQCLSA-N 0 3 324.424 3.419 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CCC1 ZINC001673168435 1197641161 /nfs/dbraw/zinc/64/11/61/1197641161.db2.gz LMEUXZQGDUYOOS-MSOLQXFVSA-N 0 3 324.468 3.078 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(CC(C)C)s1 ZINC001673445946 1197661907 /nfs/dbraw/zinc/66/19/07/1197661907.db2.gz OGEGVMHHDOVZJN-UHFFFAOYSA-N 0 3 320.502 3.364 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC1CCC1 ZINC001673634375 1197682627 /nfs/dbraw/zinc/68/26/27/1197682627.db2.gz QUGARFGDJVMCJK-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C(CC)CC)C2 ZINC001673645656 1197683689 /nfs/dbraw/zinc/68/36/89/1197683689.db2.gz MVLYUGSYASMLLD-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CCC(=C)C)C2 ZINC001673759868 1197690364 /nfs/dbraw/zinc/69/03/64/1197690364.db2.gz CAKCHXQHOZZJKR-UHFFFAOYSA-N 0 3 310.441 3.388 20 30 DGEDHN CCCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC001674006022 1197719090 /nfs/dbraw/zinc/71/90/90/1197719090.db2.gz ASVGCJRISJJLQM-QGZVFWFLSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCOCC(C)C)CC1(C)C ZINC001674018810 1197722773 /nfs/dbraw/zinc/72/27/73/1197722773.db2.gz PBXXHRIRZFRRNL-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001674114712 1197730934 /nfs/dbraw/zinc/73/09/34/1197730934.db2.gz LUIOBVAPILJTFY-CRAIPNDOSA-N 0 3 313.445 3.218 20 30 DGEDHN CCCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001674114714 1197731446 /nfs/dbraw/zinc/73/14/46/1197731446.db2.gz LUIOBVAPILJTFY-QAPCUYQASA-N 0 3 313.445 3.218 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)Cc1ccoc1 ZINC001674267250 1197755388 /nfs/dbraw/zinc/75/53/88/1197755388.db2.gz OXYAWAJLVWWNGN-IBGZPJMESA-N 0 3 324.424 3.114 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC001674280731 1197757223 /nfs/dbraw/zinc/75/72/23/1197757223.db2.gz XEGWHBVBZQUXTM-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1CCC[C@H]1CN(C)CC=C(C)C)OCC ZINC001674457256 1197778305 /nfs/dbraw/zinc/77/83/05/1197778305.db2.gz ILVLLZMPNBKVGU-ZWKOTPCHSA-N 0 3 322.493 3.247 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2cc(C)ccc2n1 ZINC001674468888 1197780437 /nfs/dbraw/zinc/78/04/37/1197780437.db2.gz FGGZGUCSOHEHNM-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1c(F)cccc1F ZINC001674469837 1197780634 /nfs/dbraw/zinc/78/06/34/1197780634.db2.gz OUMSDDXYCOEQCA-UONOGXRCSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(C)c1 ZINC001674480607 1197783391 /nfs/dbraw/zinc/78/33/91/1197783391.db2.gz IWTWFTZSXUGWOF-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C[C@@H](NC(=O)CC(C)(C)C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001674632598 1197811968 /nfs/dbraw/zinc/81/19/68/1197811968.db2.gz BZONQZFUSCUXOS-LSDHHAIUSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001674736115 1197853992 /nfs/dbraw/zinc/85/39/92/1197853992.db2.gz UMBXJLYSGNMWGP-NWDGAFQWSA-N 0 3 323.506 3.345 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)/C=C/C(C)(C)C ZINC001674822469 1197884320 /nfs/dbraw/zinc/88/43/20/1197884320.db2.gz DOJACPZJUIGBKR-CMDGGOBGSA-N 0 3 300.874 3.415 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C(F)F)CCC1 ZINC001674851738 1197891104 /nfs/dbraw/zinc/89/11/04/1197891104.db2.gz KPDLPSXLCGJOTH-UHFFFAOYSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001674978838 1197941221 /nfs/dbraw/zinc/94/12/21/1197941221.db2.gz ADXDHRAKLDYROG-KNDGBBJPSA-N 0 3 311.429 3.017 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)C1=CCCC1 ZINC001675219366 1198011729 /nfs/dbraw/zinc/01/17/29/1198011729.db2.gz YHAJDUKLAOYBRE-HXUWFJFHSA-N 0 3 324.468 3.413 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1C ZINC001675228430 1198012835 /nfs/dbraw/zinc/01/28/35/1198012835.db2.gz QBFFSKBYEBRXRK-DVOMOZLQSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001675257799 1198023977 /nfs/dbraw/zinc/02/39/77/1198023977.db2.gz HNUBWRSGLBPBSB-ROUUACIJSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001675369905 1198056251 /nfs/dbraw/zinc/05/62/51/1198056251.db2.gz 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/nfs/dbraw/zinc/37/68/89/1198376889.db2.gz WMOJDHBWYFESSA-MRXNPFEDSA-N 0 3 321.852 3.045 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001676788919 1198387499 /nfs/dbraw/zinc/38/74/99/1198387499.db2.gz CFDZJDWJVFNRSI-OXJNMPFZSA-N 0 3 322.452 3.470 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)CCCCC)CCC[C@@H]12 ZINC001676816408 1198399426 /nfs/dbraw/zinc/39/94/26/1198399426.db2.gz RQVOYTICVNXOTC-ZHALLVOQSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001676885526 1198421519 /nfs/dbraw/zinc/42/15/19/1198421519.db2.gz BVJFCRQVSQQMHS-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001677099160 1198473598 /nfs/dbraw/zinc/47/35/98/1198473598.db2.gz CCBLGNGKHVKZEA-QGZVFWFLSA-N 0 3 317.477 3.363 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001677280965 1198509024 /nfs/dbraw/zinc/50/90/24/1198509024.db2.gz BTXOWTHPTKWXMB-QFBILLFUSA-N 0 3 317.477 3.304 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001677287452 1198510331 /nfs/dbraw/zinc/51/03/31/1198510331.db2.gz YNVJDXJDYDSGDN-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccc(F)s2)c(F)c1 ZINC001677648387 1198567339 /nfs/dbraw/zinc/56/73/39/1198567339.db2.gz NYAASQHZBIMYTJ-UHFFFAOYSA-N 0 3 322.380 3.232 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CC[C@H](C)C2)c(F)c1 ZINC001677648335 1198567441 /nfs/dbraw/zinc/56/74/41/1198567441.db2.gz MDMSTXWQJLPECN-DZGCQCFKSA-N 0 3 304.409 3.154 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001684410212 1199382421 /nfs/dbraw/zinc/38/24/21/1199382421.db2.gz IJLFRIVGVFYTJV-SJORKVTESA-N 0 3 305.466 3.144 20 30 DGEDHN N#Cc1cc(O[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301679432 1199453476 /nfs/dbraw/zinc/45/34/76/1199453476.db2.gz VQSPZNTYKONXJF-KRWDZBQOSA-N 0 3 323.352 3.120 20 30 DGEDHN C#CCC1(NC(=O)NC[C@H]2CCCCN2C2CC2)CCCCC1 ZINC001686387675 1199561630 /nfs/dbraw/zinc/56/16/30/1199561630.db2.gz 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CC#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001689232171 1200065025 /nfs/dbraw/zinc/06/50/25/1200065025.db2.gz VTJIXDUTHGNVTN-KSZLIROESA-N 0 3 318.505 3.252 20 30 DGEDHN O=C(CC1CC1)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001689254259 1200067507 /nfs/dbraw/zinc/06/75/07/1200067507.db2.gz STFJRUYBOIQSBL-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1ccc(Cl)s1 ZINC001754005485 1200068354 /nfs/dbraw/zinc/06/83/54/1200068354.db2.gz XCQUUZJHBYAKLJ-JTQLQIEISA-N 0 3 321.273 3.181 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)c1cccc(OC)c1 ZINC001754026234 1200076438 /nfs/dbraw/zinc/07/64/38/1200076438.db2.gz XITPDYIGEUKEGQ-ZIAGYGMSSA-N 0 3 324.852 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)[C@H]1C ZINC001689340347 1200099019 /nfs/dbraw/zinc/09/90/19/1200099019.db2.gz NINKUHXMYJOPIP-LMMKCTJWSA-N 0 3 314.473 3.329 20 30 DGEDHN C=CCC[C@H](C)NCc1nc2c(s1)CCN(C(=O)C(C)C)C2 ZINC001689354998 1200107642 /nfs/dbraw/zinc/10/76/42/1200107642.db2.gz 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C#CCN1CCC[C@]2(CCN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001754557550 1200362534 /nfs/dbraw/zinc/36/25/34/1200362534.db2.gz JNBDDHPMIILRIX-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@@H](C)C1CCCCC1)C1CC1 ZINC001690009422 1200366340 /nfs/dbraw/zinc/36/63/40/1200366340.db2.gz VRHJXXAKTQOKRU-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC001754628275 1200405286 /nfs/dbraw/zinc/40/52/86/1200405286.db2.gz OQENVXWFAQZEEM-UHFFFAOYSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCN(C(=O)c1occc1Cl)C1CCN(CC(=C)C)CC1 ZINC001754640037 1200410133 /nfs/dbraw/zinc/41/01/33/1200410133.db2.gz FKHZRJNDSCOQJT-UHFFFAOYSA-N 0 3 320.820 3.049 20 30 DGEDHN C#CCN(C(=O)Cc1ccccc1)C1CCN(CC=C(C)C)CC1 ZINC001754639131 1200410420 /nfs/dbraw/zinc/41/04/20/1200410420.db2.gz WXRFQSJWZDYJQR-UHFFFAOYSA-N 0 3 324.468 3.122 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001690167017 1200431064 /nfs/dbraw/zinc/43/10/64/1200431064.db2.gz PQRDARWDNOUKLW-DOMZBBRYSA-N 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C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C\Cl)C1 ZINC001754796621 1200494033 /nfs/dbraw/zinc/49/40/33/1200494033.db2.gz DVUYPRYXCCLYGE-VKXYGBLQSA-N 0 3 319.276 3.344 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC/C=C/c1ccccc1 ZINC001754871073 1200528364 /nfs/dbraw/zinc/52/83/64/1200528364.db2.gz YIUVWIFTRSVAII-LQGOSWMKSA-N 0 3 322.452 3.179 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)CCCC3CCCC3)[C@@H]2C1 ZINC001754875057 1200530200 /nfs/dbraw/zinc/53/02/00/1200530200.db2.gz YZOFZVLHUWBLMD-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001690391599 1200533045 /nfs/dbraw/zinc/53/30/45/1200533045.db2.gz DWHQOQXVXZCLDC-SJORKVTESA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001690391598 1200533925 /nfs/dbraw/zinc/53/39/25/1200533925.db2.gz DWHQOQXVXZCLDC-IRXDYDNUSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2C(C)(C)C2(C)C)cc1 ZINC001754947334 1200550501 /nfs/dbraw/zinc/55/05/01/1200550501.db2.gz KCMNVXNMLIHQEG-AWEZNQCLSA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC23CCCC3)cc1 ZINC001754949076 1200550775 /nfs/dbraw/zinc/55/07/75/1200550775.db2.gz VQYKIQXQTJICKM-QAPCUYQASA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC001754949092 1200550789 /nfs/dbraw/zinc/55/07/89/1200550789.db2.gz VZNMFMBVRFNZPN-QAPCUYQASA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC001754949091 1200551004 /nfs/dbraw/zinc/55/10/04/1200551004.db2.gz VZNMFMBVRFNZPN-MAUKXSAKSA-N 0 3 312.457 3.413 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2cc(C)on2)CC1 ZINC001754955751 1200556377 /nfs/dbraw/zinc/55/63/77/1200556377.db2.gz QBRLTQRIAFUUSE-WKILWMFISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCCN1CC=C(C)C ZINC001690451113 1200564441 /nfs/dbraw/zinc/56/44/41/1200564441.db2.gz XYFGSZUROJLKSF-IEBWSBKVSA-N 0 3 322.493 3.152 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001690461519 1200574196 /nfs/dbraw/zinc/57/41/96/1200574196.db2.gz VVYYKHAPYORBTR-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001755028577 1200589516 /nfs/dbraw/zinc/58/95/16/1200589516.db2.gz NVUATLAYJSYLMO-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccnc2C)C1 ZINC001690494616 1200592728 /nfs/dbraw/zinc/59/27/28/1200592728.db2.gz HUIKZRNCDLTUDM-SJLPKXTDSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001755031647 1200594698 /nfs/dbraw/zinc/59/46/98/1200594698.db2.gz XBXQDRVMEIDJPM-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)C#CC(C)C ZINC001755076012 1200628529 /nfs/dbraw/zinc/62/85/29/1200628529.db2.gz RHTVNOICEPVBNR-HXUWFJFHSA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@@H](C)OCC)cc2C1 ZINC001755100834 1200635679 /nfs/dbraw/zinc/63/56/79/1200635679.db2.gz IQQIZNMESNVWMW-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CC(C)C)CCCC2)C[C@@H]1C ZINC001755167642 1200674741 /nfs/dbraw/zinc/67/47/41/1200674741.db2.gz RENLIOMOXRFOKL-DLBZAZTESA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001755169209 1200674986 /nfs/dbraw/zinc/67/49/86/1200674986.db2.gz LKTUGFFUDMDMST-NVXWUHKLSA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC1(C)CC1 ZINC001755172041 1200678901 /nfs/dbraw/zinc/67/89/01/1200678901.db2.gz IXXZLEUABLJIPE-SFHVURJKSA-N 0 3 312.457 3.468 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCCOCc2ccccc2)C1 ZINC000127497272 1200684648 /nfs/dbraw/zinc/68/46/48/1200684648.db2.gz LJJTXQIKEACFIM-UHFFFAOYSA-N 0 3 306.409 3.417 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(CC)CC ZINC001755187033 1200685048 /nfs/dbraw/zinc/68/50/48/1200685048.db2.gz SAPWFHSMDLEJOO-IEBWSBKVSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCC1 ZINC001755194071 1200690926 /nfs/dbraw/zinc/69/09/26/1200690926.db2.gz MFXSGOWIFCJAQB-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001755198738 1200696786 /nfs/dbraw/zinc/69/67/86/1200696786.db2.gz GSEWLRKSTAPVDN-ULQDDVLXSA-N 0 3 304.478 3.312 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CC1CCCC1 ZINC001755222476 1200712020 /nfs/dbraw/zinc/71/20/20/1200712020.db2.gz DPUHCDFZCLTXGZ-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H](N(C)CC#CC)C2)CCCC1 ZINC001690826511 1200739720 /nfs/dbraw/zinc/73/97/20/1200739720.db2.gz IDRCQDZHMFOBTK-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2oc(C)nc2C)CCC1 ZINC001690860565 1200754273 /nfs/dbraw/zinc/75/42/73/1200754273.db2.gz AJAAJVVKFXSLMX-CYBMUJFWSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001755281447 1200760400 /nfs/dbraw/zinc/76/04/00/1200760400.db2.gz KHRVDJWVNHFNID-ZDUSSCGKSA-N 0 3 300.874 3.249 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC(C)(C)C1CC1)c1ccccc1 ZINC001691782340 1200807222 /nfs/dbraw/zinc/80/72/22/1200807222.db2.gz NVOMTVQHKBNNLD-SFHVURJKSA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)c(F)c1)c1ccccc1 ZINC001691788875 1200808238 /nfs/dbraw/zinc/80/82/38/1200808238.db2.gz WXFVYJQDXJQQIP-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccccc1COC)c1ccccc1 ZINC001691787080 1200808454 /nfs/dbraw/zinc/80/84/54/1200808454.db2.gz JWLZECIHQYPDED-LJQANCHMSA-N 0 3 324.424 3.080 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001755329365 1200825462 /nfs/dbraw/zinc/82/54/62/1200825462.db2.gz YYFMKZUFSPBCFQ-RGYNNNPXSA-N 0 3 304.478 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCF)C[C@H]1c1ccccc1 ZINC001691842065 1200830730 /nfs/dbraw/zinc/83/07/30/1200830730.db2.gz MUPOWFIBMDDASD-DLBZAZTESA-N 0 3 318.436 3.142 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001755410980 1200886233 /nfs/dbraw/zinc/88/62/33/1200886233.db2.gz DHTPTLOXSWEPLZ-IRXDYDNUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1cnoc1C ZINC001691987841 1200897898 /nfs/dbraw/zinc/89/78/98/1200897898.db2.gz RWGBOBDFTNUUDJ-WMLDXEAASA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001755461013 1200905619 /nfs/dbraw/zinc/90/56/19/1200905619.db2.gz UOIYQFWGMIQKSV-AHRSYUTCSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001755501617 1200923527 /nfs/dbraw/zinc/92/35/27/1200923527.db2.gz CZIAOUSPOXMTQW-CHWSQXEVSA-N 0 3 322.827 3.439 20 30 DGEDHN CC(C)=CC(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001692113519 1200933261 /nfs/dbraw/zinc/93/32/61/1200933261.db2.gz PHYBZKMTLXVMHW-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN CC1(C(=O)N2CCCCC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001692117804 1200936455 /nfs/dbraw/zinc/93/64/55/1200936455.db2.gz BPMLVBSRECUNCQ-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)[C@@H]1C ZINC001692148192 1200946930 /nfs/dbraw/zinc/94/69/30/1200946930.db2.gz CJBBXZVPWLRRBE-AGIUHOORSA-N 0 3 319.276 3.116 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001692154358 1200950643 /nfs/dbraw/zinc/95/06/43/1200950643.db2.gz NIGOVTIYVQIKBI-MJGOQNOKSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCCC1(F)F ZINC001692254685 1200989637 /nfs/dbraw/zinc/98/96/37/1200989637.db2.gz NRLUUORLMDYHRS-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccccc1Cl ZINC001692263294 1200994531 /nfs/dbraw/zinc/99/45/31/1200994531.db2.gz GKYQGRXQZSBMSX-INIZCTEOSA-N 0 3 320.864 3.381 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCC1CCC1 ZINC001755650400 1200996825 /nfs/dbraw/zinc/99/68/25/1200996825.db2.gz LVHKSQRFBDRONS-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCCCC(C)C)C[C@@H]2C1 ZINC001692285371 1201003672 /nfs/dbraw/zinc/00/36/72/1201003672.db2.gz BHDJKOWKMOIRFV-MSOLQXFVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC(C)(F)F ZINC001692368882 1201039749 /nfs/dbraw/zinc/03/97/49/1201039749.db2.gz KIKNGRHWCKBSKZ-GJZGRUSLSA-N 0 3 314.420 3.453 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1sccc1Cl)C(C)C ZINC001755813413 1201076820 /nfs/dbraw/zinc/07/68/20/1201076820.db2.gz PTGGGNNMYWLJPD-UHFFFAOYSA-N 0 3 300.855 3.370 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2ccn(C)c2c1)C(C)C ZINC001755817556 1201083359 /nfs/dbraw/zinc/08/33/59/1201083359.db2.gz PSXPEODOSVGDEE-UHFFFAOYSA-N 0 3 313.445 3.147 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)CCCCC)CC1 ZINC001755844561 1201102886 /nfs/dbraw/zinc/10/28/86/1201102886.db2.gz AMLBJNCXUZQCJP-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C(F)F)CCCC2)C1 ZINC001755861574 1201110735 /nfs/dbraw/zinc/11/07/35/1201110735.db2.gz ZVQKWVFGMJYULF-UHFFFAOYSA-N 0 3 320.811 3.143 20 30 DGEDHN C=CCC1(C(=O)N(C)C2CC(NCC(=C)Cl)C2)CCCC1 ZINC001755866068 1201115374 /nfs/dbraw/zinc/11/53/74/1201115374.db2.gz APGVSJOLPOFDCH-UHFFFAOYSA-N 0 3 310.869 3.454 20 30 DGEDHN CCCCCCCN1CC=C(CNC(=O)C(=O)C(C)(C)C)CC1 ZINC001755884547 1201119784 /nfs/dbraw/zinc/11/97/84/1201119784.db2.gz XHGAGMYCCWXVLF-UHFFFAOYSA-N 0 3 322.493 3.320 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@H](C)c2cccc(C)c2)C1 ZINC001698547195 1201214192 /nfs/dbraw/zinc/21/41/92/1201214192.db2.gz VLIKAJSZJMOYPP-WBVHZDCISA-N 0 3 300.446 3.459 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC001698549260 1201217440 /nfs/dbraw/zinc/21/74/40/1201217440.db2.gz MRBRXHSJUXHEEO-ZWKOTPCHSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001698586509 1201260994 /nfs/dbraw/zinc/26/09/94/1201260994.db2.gz QGILXEQFEQUFIG-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1cnc(C)s1 ZINC001698599512 1201270904 /nfs/dbraw/zinc/27/09/04/1201270904.db2.gz DJLQFNMQGSFTEP-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2cccc(Cl)n2)C1 ZINC001698613346 1201283684 /nfs/dbraw/zinc/28/36/84/1201283684.db2.gz FXUKCMFLTYDEKA-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001698713331 1201352984 /nfs/dbraw/zinc/35/29/84/1201352984.db2.gz VZKUEMWDMPZITA-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccsc2)CCCC1 ZINC001698793069 1201420817 /nfs/dbraw/zinc/42/08/17/1201420817.db2.gz ALAUFEKIVLYJQD-UHFFFAOYSA-N 0 3 312.866 3.062 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC001698905663 1201567294 /nfs/dbraw/zinc/56/72/94/1201567294.db2.gz RBRFOTXYSSLBMC-SICOMBFOSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1ccccc1F)C(C)C ZINC001698959250 1201611697 /nfs/dbraw/zinc/61/16/97/1201611697.db2.gz DEDKIGPQDVHPCQ-QGZVFWFLSA-N 0 3 306.425 3.412 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](c1ccccc1)C(C)C ZINC001698997795 1201666836 /nfs/dbraw/zinc/66/68/36/1201666836.db2.gz YZNDWEAPUBGJHQ-SFHVURJKSA-N 0 3 302.462 3.393 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1ccc(F)cc1F ZINC001699003722 1201674855 /nfs/dbraw/zinc/67/48/55/1201674855.db2.gz DJYNZYMTTSPIGH-CYBMUJFWSA-N 0 3 310.388 3.035 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001699125650 1201720269 /nfs/dbraw/zinc/72/02/69/1201720269.db2.gz GLEXPGZCDHCMJK-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001752282932 1201818652 /nfs/dbraw/zinc/81/86/52/1201818652.db2.gz ABORFIHVIKHRMS-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CCC1 ZINC001752400367 1201832550 /nfs/dbraw/zinc/83/25/50/1201832550.db2.gz DZDVMRQGRVVYLQ-KRWDZBQOSA-N 0 3 302.462 3.424 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001699414888 1201849006 /nfs/dbraw/zinc/84/90/06/1201849006.db2.gz CNBULNMCXCUIPC-RYUDHWBXSA-N 0 3 310.388 3.332 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001699419026 1201851641 /nfs/dbraw/zinc/85/16/41/1201851641.db2.gz APAZJUWOOFLXPX-HNNXBMFYSA-N 0 3 318.436 3.098 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001752564749 1201874667 /nfs/dbraw/zinc/87/46/67/1201874667.db2.gz KXEOLGOAJOIDGY-YYIAUSFCSA-N 0 3 314.429 3.025 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C[C@H](OC)c1ccccc1 ZINC001699453162 1201891717 /nfs/dbraw/zinc/89/17/17/1201891717.db2.gz DEXWNHMBPKSXIY-RDJZCZTQSA-N 0 3 318.461 3.023 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C[C@@H](OC)c1ccccc1 ZINC001699453160 1201892572 /nfs/dbraw/zinc/89/25/72/1201892572.db2.gz DEXWNHMBPKSXIY-DOTOQJQBSA-N 0 3 318.461 3.023 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C ZINC001699466491 1201907566 /nfs/dbraw/zinc/90/75/66/1201907566.db2.gz AXGWRAPVILVHFR-WMZOPIPTSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 ZINC001699470817 1201914890 /nfs/dbraw/zinc/91/48/90/1201914890.db2.gz FEDLYWZCZSBELJ-MRXNPFEDSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CNCc2ncc(C)s2)C1 ZINC001752798665 1201929739 /nfs/dbraw/zinc/92/97/39/1201929739.db2.gz FVJKJHDCMSKPGF-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1coc2ccccc12 ZINC001699540482 1201941832 /nfs/dbraw/zinc/94/18/32/1201941832.db2.gz BSOFLFAASUKNFZ-UHFFFAOYSA-N 0 3 320.820 3.166 20 30 DGEDHN Cc1ccc(CN2CCCC[C@H]2CNC(=O)C#CC2CC2)cc1C ZINC001752819558 1201944311 /nfs/dbraw/zinc/94/43/11/1201944311.db2.gz YLXPOOUGZFDMOP-FQEVSTJZSA-N 0 3 324.468 3.188 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001752822282 1201945195 /nfs/dbraw/zinc/94/51/95/1201945195.db2.gz DGNZZBHWFLSGNA-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001752822284 1201947165 /nfs/dbraw/zinc/94/71/65/1201947165.db2.gz DGNZZBHWFLSGNA-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001752825010 1201951897 /nfs/dbraw/zinc/95/18/97/1201951897.db2.gz JRGSNCATVWBWKQ-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001752824984 1201952407 /nfs/dbraw/zinc/95/24/07/1201952407.db2.gz JJBRZTKOCHRVTJ-SFHVURJKSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001752825053 1201953367 /nfs/dbraw/zinc/95/33/67/1201953367.db2.gz KQMGRENSEOVLTD-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001752826953 1201954771 /nfs/dbraw/zinc/95/47/71/1201954771.db2.gz HDGVEYQEEWQAPM-LJQANCHMSA-N 0 3 324.468 3.102 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001699621896 1201984661 /nfs/dbraw/zinc/98/46/61/1201984661.db2.gz NSGXKTVVIVVBKZ-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001699623890 1201985900 /nfs/dbraw/zinc/98/59/00/1201985900.db2.gz MSZQHUQCUPNBRU-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001699624206 1201987597 /nfs/dbraw/zinc/98/75/97/1201987597.db2.gz CSTNATLMFJYXDQ-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001699632911 1201997996 /nfs/dbraw/zinc/99/79/96/1201997996.db2.gz KHMLKIHJISXOPF-CZUORRHYSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001699639809 1202006082 /nfs/dbraw/zinc/00/60/82/1202006082.db2.gz GXSANDWWEVPMTE-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](NCc2ocnc2C)C1 ZINC001752972047 1202029817 /nfs/dbraw/zinc/02/98/17/1202029817.db2.gz SPQXPHJJFDGFFS-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(CC)CC ZINC001699684063 1202032777 /nfs/dbraw/zinc/03/27/77/1202032777.db2.gz NJTIEWHLOVDLKA-JQHSSLGASA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(C)Cc1ccccc1 ZINC001753017446 1202061932 /nfs/dbraw/zinc/06/19/32/1202061932.db2.gz NQSZJAOTABJYTE-OAHLLOKOSA-N 0 3 322.880 3.492 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001699748342 1202064865 /nfs/dbraw/zinc/06/48/65/1202064865.db2.gz ICAANBUDRPPBPS-ZDUSSCGKSA-N 0 3 324.877 3.286 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@H](CC)CC1)C1CCN(CC=C)CC1 ZINC001699787253 1202078362 /nfs/dbraw/zinc/07/83/62/1202078362.db2.gz UFQHHLMVIOFGLR-IYARVYRRSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN(CC)CCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001753087175 1202117253 /nfs/dbraw/zinc/11/72/53/1202117253.db2.gz WCCOMJYALFNARL-UHFFFAOYSA-N 0 3 308.853 3.242 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001753106857 1202138487 /nfs/dbraw/zinc/13/84/87/1202138487.db2.gz UFWQKQMBQBMIOP-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC001753106366 1202138662 /nfs/dbraw/zinc/13/86/62/1202138662.db2.gz WWRHBESETQVEOU-GOSISDBHSA-N 0 3 323.440 3.052 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1CC ZINC001699929867 1202138928 /nfs/dbraw/zinc/13/89/28/1202138928.db2.gz BDYDQDHUWUNDAV-IPMKNSEASA-N 0 3 312.457 3.228 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001753115825 1202144547 /nfs/dbraw/zinc/14/45/47/1202144547.db2.gz ZTEKREMIQXOCEO-MAUKXSAKSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001753115824 1202145484 /nfs/dbraw/zinc/14/54/84/1202145484.db2.gz ZTEKREMIQXOCEO-CRAIPNDOSA-N 0 3 300.446 3.119 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1C ZINC001753120473 1202149261 /nfs/dbraw/zinc/14/92/61/1202149261.db2.gz XHSSCTIAKGXCIV-HKUYNNGSSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccc(F)cc1 ZINC001700008116 1202162507 /nfs/dbraw/zinc/16/25/07/1202162507.db2.gz QLUQEQVHDPYWCN-ZWKOTPCHSA-N 0 3 316.420 3.357 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001753147363 1202166476 /nfs/dbraw/zinc/16/64/76/1202166476.db2.gz ARRFLVMQLMQOIW-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN CCCN(CCNC(=O)[C@@H](C)C(C)C)Cc1ccc(C#N)cc1 ZINC001753149269 1202168027 /nfs/dbraw/zinc/16/80/27/1202168027.db2.gz YKALKCOILNNBKH-INIZCTEOSA-N 0 3 315.461 3.179 20 30 DGEDHN CCC(=O)NCc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC001700091034 1202176986 /nfs/dbraw/zinc/17/69/86/1202176986.db2.gz JTFKLADNGHDQMY-HNNXBMFYSA-N 0 3 321.424 3.435 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C=C/C(C)(C)C ZINC001700091973 1202177625 /nfs/dbraw/zinc/17/76/25/1202177625.db2.gz UICUFTHINRNGBX-OUKQBFOZSA-N 0 3 312.457 3.360 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC001700092742 1202178477 /nfs/dbraw/zinc/17/84/77/1202178477.db2.gz VQNHCRHVPQXPTF-INIZCTEOSA-N 0 3 320.864 3.498 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccccc2F)cc1 ZINC001700096031 1202179800 /nfs/dbraw/zinc/17/98/00/1202179800.db2.gz LPMPDMFZEYHYGO-CQSZACIVSA-N 0 3 310.372 3.040 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cnccc2C)CCC1 ZINC001700135201 1202188819 /nfs/dbraw/zinc/18/88/19/1202188819.db2.gz FQQOJOZORUJIMI-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)CSC)c1ccccc1 ZINC001753297316 1202199349 /nfs/dbraw/zinc/19/93/49/1202199349.db2.gz IRSOJAJZEBIEJQ-ZBFHGGJFSA-N 0 3 306.475 3.009 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CCc1ccco1)c1ccccc1 ZINC001753296399 1202199541 /nfs/dbraw/zinc/19/95/41/1202199541.db2.gz PYCOFMPAPQJACR-GOSISDBHSA-N 0 3 312.413 3.235 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)n1cccc1)c1ccccc1 ZINC001753297873 1202199726 /nfs/dbraw/zinc/19/97/26/1202199726.db2.gz UMMBNDJQLVBACA-AEFFLSMTSA-N 0 3 311.429 3.072 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1[nH]c(C)cc1C)c1ccccc1 ZINC001753300063 1202200318 /nfs/dbraw/zinc/20/03/18/1202200318.db2.gz NCLKULOSKJSRER-KRWDZBQOSA-N 0 3 311.429 3.268 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)C(F)(F)F)c1ccccc1 ZINC001753302133 1202200752 /nfs/dbraw/zinc/20/07/52/1202200752.db2.gz VHGMMBQICGXRSA-TZMCWYRMSA-N 0 3 314.351 3.208 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCOC ZINC001753310972 1202202800 /nfs/dbraw/zinc/20/28/00/1202202800.db2.gz XKJHDQBAZLXQCF-SCTDSRPQSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001753314246 1202204917 /nfs/dbraw/zinc/20/49/17/1202204917.db2.gz ZFZVRJRKBCLBTL-AWEZNQCLSA-N 0 3 309.841 3.171 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001700191155 1202205160 /nfs/dbraw/zinc/20/51/60/1202205160.db2.gz SIZZMEFTCDNBLN-UHFFFAOYSA-N 0 3 314.473 3.401 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001753317470 1202206376 /nfs/dbraw/zinc/20/63/76/1202206376.db2.gz OQUHQXKBGDRTCW-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CC(C)(C)C1CCCCC1 ZINC001700194792 1202207502 /nfs/dbraw/zinc/20/75/02/1202207502.db2.gz YAKJJWZBIKFUDY-UHFFFAOYSA-N 0 3 306.494 3.397 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)Cc2ccco2)C1 ZINC001753319681 1202207958 /nfs/dbraw/zinc/20/79/58/1202207958.db2.gz KHSARLJKCNUMSV-IAGOWNOFSA-N 0 3 318.461 3.347 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)CCC ZINC001700224066 1202214302 /nfs/dbraw/zinc/21/43/02/1202214302.db2.gz MCRNILSNTDMVMS-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN CC[C@@H](F)CN1CC[C@]2(C1)CCCN(C(=O)C#CC(C)(C)C)C2 ZINC001700227437 1202215709 /nfs/dbraw/zinc/21/57/09/1202215709.db2.gz RICGHOUZGIWGTB-APWZRJJASA-N 0 3 322.468 3.099 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001700228391 1202216719 /nfs/dbraw/zinc/21/67/19/1202216719.db2.gz UBEPCCMUJOWQTI-LJQANCHMSA-N 0 3 312.457 3.132 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)CC(F)F)C(C)(C)C1 ZINC001700292191 1202228805 /nfs/dbraw/zinc/22/88/05/1202228805.db2.gz OHIZEOUWSUPSCZ-OLZOCXBDSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)C(CC)CC)CC2)C1 ZINC001700331255 1202239802 /nfs/dbraw/zinc/23/98/02/1202239802.db2.gz NJOVXPZIIKQVGA-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001753411073 1202244638 /nfs/dbraw/zinc/24/46/38/1202244638.db2.gz AUXJONYNMKSGSM-GOSISDBHSA-N 0 3 304.478 3.054 20 30 DGEDHN CCC/C=C\CCN1CC(CNC(=O)CC#Cc2ccccc2)C1 ZINC001753416724 1202246876 /nfs/dbraw/zinc/24/68/76/1202246876.db2.gz FIASNIDAVHYRKQ-PLNGDYQASA-N 0 3 324.468 3.223 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCCOC1 ZINC001753425970 1202248826 /nfs/dbraw/zinc/24/88/26/1202248826.db2.gz IAVWSDAABHZOSB-JENIJYKNSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](C=C)c1ccccc1 ZINC001700362730 1202250443 /nfs/dbraw/zinc/25/04/43/1202250443.db2.gz DJDZMECMIGXAEL-IEBWSBKVSA-N 0 3 312.457 3.455 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1sccc1Cl ZINC001700395367 1202261501 /nfs/dbraw/zinc/26/15/01/1202261501.db2.gz POOYKNLKSYTGBK-NWDGAFQWSA-N 0 3 312.866 3.188 20 30 DGEDHN CCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001753454804 1202261719 /nfs/dbraw/zinc/26/17/19/1202261719.db2.gz DCTBRFPFLQIGEZ-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1cnc(C)s1 ZINC001753481721 1202271147 /nfs/dbraw/zinc/27/11/47/1202271147.db2.gz XHZDHADZPYIELS-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2ccnc(Cl)c2)C1 ZINC001753489473 1202273058 /nfs/dbraw/zinc/27/30/58/1202273058.db2.gz KECYGQIPGRJLFI-CQSZACIVSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(C)c2)CCCC1 ZINC001753498862 1202276148 /nfs/dbraw/zinc/27/61/48/1202276148.db2.gz AIIPEHQSVWGZJA-UHFFFAOYSA-N 0 3 306.837 3.380 20 30 DGEDHN C[C@H](CNC(=O)C1(C)CCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001700469737 1202284749 /nfs/dbraw/zinc/28/47/49/1202284749.db2.gz KTINHBZMJBQIBV-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001700477824 1202289156 /nfs/dbraw/zinc/28/91/56/1202289156.db2.gz NIDXOXBSAIRJFA-CABCVRRESA-N 0 3 306.425 3.365 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC001753586410 1202293905 /nfs/dbraw/zinc/29/39/05/1202293905.db2.gz ZCEIZILYFRJPIP-JFIYKMOQSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCCc2ccc(C)cc2)C1 ZINC001700543022 1202310045 /nfs/dbraw/zinc/31/00/45/1202310045.db2.gz NGDXZKMWHVGWGX-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001700564277 1202313710 /nfs/dbraw/zinc/31/37/10/1202313710.db2.gz UHGLBZOPFJZMDF-LPHOPBHVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2F)C1 ZINC001700639806 1202327176 /nfs/dbraw/zinc/32/71/76/1202327176.db2.gz LWWLQOSYDGXLQH-HDJSIYSDSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001700644204 1202327571 /nfs/dbraw/zinc/32/75/71/1202327571.db2.gz SLUXJHLIYSIGRH-KKUMJFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(F)c(F)c1)C(C)C ZINC001753829683 1202343309 /nfs/dbraw/zinc/34/33/09/1202343309.db2.gz BEFOORFYQSFMNH-AWEZNQCLSA-N 0 3 316.779 3.061 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H]1CCC(F)(F)C1)C(C)C ZINC001753831094 1202343651 /nfs/dbraw/zinc/34/36/51/1202343651.db2.gz MOPXYSNJLZDFJP-QWHCGFSZSA-N 0 3 322.827 3.295 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001700741930 1202346549 /nfs/dbraw/zinc/34/65/49/1202346549.db2.gz WIDORTUIBQFSEE-GFCCVEGCSA-N 0 3 312.816 3.382 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001700767017 1202351079 /nfs/dbraw/zinc/35/10/79/1202351079.db2.gz JEUYAHDOVIZVGY-GUYCJALGSA-N 0 3 319.474 3.159 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001700767016 1202351297 /nfs/dbraw/zinc/35/12/97/1202351297.db2.gz JEUYAHDOVIZVGY-DYVFJYSZSA-N 0 3 319.474 3.159 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(-c2ccco2)s1 ZINC001700773180 1202352646 /nfs/dbraw/zinc/35/26/46/1202352646.db2.gz HZSYQBGHZLIUSP-CYBMUJFWSA-N 0 3 316.426 3.082 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001700840257 1202357814 /nfs/dbraw/zinc/35/78/14/1202357814.db2.gz HIIHGDJSFORAPA-DOTOQJQBSA-N 0 3 322.408 3.163 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001700841506 1202357979 /nfs/dbraw/zinc/35/79/79/1202357979.db2.gz MGTFCFHLVNXQQY-MAUKXSAKSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1scnc1C)CC2 ZINC001700857759 1202359787 /nfs/dbraw/zinc/35/97/87/1202359787.db2.gz GOJRXVSWNCGKSI-DOTOQJQBSA-N 0 3 319.474 3.031 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(F)c1)CC2 ZINC001700857938 1202360307 /nfs/dbraw/zinc/36/03/07/1202360307.db2.gz ISIYPLUKTOIQEW-PKOBYXMFSA-N 0 3 316.420 3.405 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1N(Cc1cccc(F)c1)CC2 ZINC001700857937 1202360612 /nfs/dbraw/zinc/36/06/12/1202360612.db2.gz ISIYPLUKTOIQEW-MJGOQNOKSA-N 0 3 316.420 3.405 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCCC(C)C)CCC[C@@H]12 ZINC001700862076 1202361115 /nfs/dbraw/zinc/36/11/15/1202361115.db2.gz ABTLYFQLJHGECQ-IEBWSBKVSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC001700862885 1202361123 /nfs/dbraw/zinc/36/11/23/1202361123.db2.gz KDVIEDHBWLXYQF-FBBABVLZSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cccc(C)c2)[C@H]1C ZINC001700883484 1202365583 /nfs/dbraw/zinc/36/55/83/1202365583.db2.gz ZBDTVUVFIJSTKQ-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001700894734 1202367156 /nfs/dbraw/zinc/36/71/56/1202367156.db2.gz FOJSGWWKGZUHDD-CRAIPNDOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccn(C(C)C)c1C)C(C)C ZINC001700972869 1202373318 /nfs/dbraw/zinc/37/33/18/1202373318.db2.gz XFELCSVPOOGLGT-UHFFFAOYSA-N 0 3 305.466 3.346 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1c[nH]c2ccccc12)C(C)C ZINC001700976195 1202374941 /nfs/dbraw/zinc/37/49/41/1202374941.db2.gz JWBPCURXAHRLQS-UHFFFAOYSA-N 0 3 313.445 3.065 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001701029572 1202383543 /nfs/dbraw/zinc/38/35/43/1202383543.db2.gz YDJWKTCSWDDQGV-UHFFFAOYSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001707046430 1202568736 /nfs/dbraw/zinc/56/87/36/1202568736.db2.gz HZGKKFFJHYABBN-HUUCEWRRSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001707049030 1202569229 /nfs/dbraw/zinc/56/92/29/1202569229.db2.gz FQCUJRQBBPJVBZ-IAGOWNOFSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1CCC ZINC001707050000 1202569436 /nfs/dbraw/zinc/56/94/36/1202569436.db2.gz BWQXSNRLZMUFSC-OAHLLOKOSA-N 0 3 304.434 3.345 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1coc2ccccc12 ZINC001707053645 1202570072 /nfs/dbraw/zinc/57/00/72/1202570072.db2.gz ITDIOUUTRYHWTP-INIZCTEOSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001707062412 1202571166 /nfs/dbraw/zinc/57/11/66/1202571166.db2.gz NAPNNDWGARVUQK-STQMWFEESA-N 0 3 310.438 3.388 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001707125253 1202573906 /nfs/dbraw/zinc/57/39/06/1202573906.db2.gz PRXLJCZEEFAGJE-KBOKABMXSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCCCC(C)(C)C)C[C@@H]2C1 ZINC001707219124 1202576769 /nfs/dbraw/zinc/57/67/69/1202576769.db2.gz WDDGJTAUPUETKU-MSOLQXFVSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001707274648 1202580044 /nfs/dbraw/zinc/58/00/44/1202580044.db2.gz IKEPKJPVKDUEQJ-KRWDZBQOSA-N 0 3 321.490 3.130 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CC(C1CCC1)C1CCC1 ZINC001707408918 1202583348 /nfs/dbraw/zinc/58/33/48/1202583348.db2.gz OLKGPEBKCSWVNY-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1occc1C ZINC001707441516 1202585176 /nfs/dbraw/zinc/58/51/76/1202585176.db2.gz MHJZXIUQOBRPBA-GJZGRUSLSA-N 0 3 324.852 3.242 20 30 DGEDHN CCN(CCCNC(=O)C#CC(C)C)[C@@H](C)c1ccccc1F ZINC001713012512 1202610195 /nfs/dbraw/zinc/61/01/95/1202610195.db2.gz NXUXMOXCTKCNIP-INIZCTEOSA-N 0 3 318.436 3.374 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C1(CC)CC1 ZINC001713022453 1202610926 /nfs/dbraw/zinc/61/09/26/1202610926.db2.gz GERMPIUEOVETGE-UHFFFAOYSA-N 0 3 312.457 3.057 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(CC(C)C)cc1)C1CC1 ZINC001713048963 1202612609 /nfs/dbraw/zinc/61/26/09/1202612609.db2.gz RFYQYZBVKQRRHR-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001713098129 1202616778 /nfs/dbraw/zinc/61/67/78/1202616778.db2.gz HNADTCRREOVXCS-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)/C=C\c2ccco2)CC1 ZINC001713099934 1202617029 /nfs/dbraw/zinc/61/70/29/1202617029.db2.gz IWMJEDAYHIQMCN-FPLPWBNLSA-N 0 3 302.418 3.182 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1cnc(C)s1)C1CC1 ZINC001713111850 1202618177 /nfs/dbraw/zinc/61/81/77/1202618177.db2.gz SPFRCYSOXSKELM-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1cnc(C)s1)C1CC1 ZINC001713111848 1202618240 /nfs/dbraw/zinc/61/82/40/1202618240.db2.gz SPFRCYSOXSKELM-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(F)(F)F ZINC001713138543 1202621211 /nfs/dbraw/zinc/62/12/11/1202621211.db2.gz NLQVVBZDSFOWOO-OKILXGFUSA-N 0 3 318.383 3.360 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001713142810 1202621606 /nfs/dbraw/zinc/62/16/06/1202621606.db2.gz INZJWZHRPVVGJA-IXDOHACOSA-N 0 3 304.478 3.432 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001713142724 1202621667 /nfs/dbraw/zinc/62/16/67/1202621667.db2.gz FOQWWOKMLLSVKU-OIISXLGYSA-N 0 3 313.445 3.034 20 30 DGEDHN C[C@@H]1CC[C@H](CC(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166813 1202623423 /nfs/dbraw/zinc/62/34/23/1202623423.db2.gz HUWKRGJZBXHNOX-GSEOLPGOSA-N 0 3 324.468 3.101 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713174686 1202624133 /nfs/dbraw/zinc/62/41/33/1202624133.db2.gz BJRURUKSOWKSLE-IYARVYRRSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001713192886 1202625620 /nfs/dbraw/zinc/62/56/20/1202625620.db2.gz BOHXUZFTVPIIHP-IYBDPMFKSA-N 0 3 304.409 3.227 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001713204485 1202626473 /nfs/dbraw/zinc/62/64/73/1202626473.db2.gz WNILUZMTGDTYNC-GBESFXJTSA-N 0 3 312.457 3.101 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001713258607 1202632791 /nfs/dbraw/zinc/63/27/91/1202632791.db2.gz AUCNSBGXNRVUSR-ROUUACIJSA-N 0 3 312.457 3.093 20 30 DGEDHN CCC(=CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1)CC ZINC001713304627 1202637625 /nfs/dbraw/zinc/63/76/25/1202637625.db2.gz XRDVIUGXONSEAR-ZDUSSCGKSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)NCc2ccc(F)c(Cl)c2)C1 ZINC001713337452 1202640512 /nfs/dbraw/zinc/64/05/12/1202640512.db2.gz QSRPZFNLTJXFMK-LBPRGKRZSA-N 0 3 324.827 3.430 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001713396485 1202644837 /nfs/dbraw/zinc/64/48/37/1202644837.db2.gz CFKKMLCYFKFKPR-YSIASYRMSA-N 0 3 324.468 3.045 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(F)cc(C)cc1F ZINC001713412174 1202647073 /nfs/dbraw/zinc/64/70/73/1202647073.db2.gz FHHJFJFPSHQIKT-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C(C)(CC)CC ZINC001713422034 1202648024 /nfs/dbraw/zinc/64/80/24/1202648024.db2.gz DDWYXQBMQTXLCT-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001713497818 1202660631 /nfs/dbraw/zinc/66/06/31/1202660631.db2.gz ABKQHPBDTWXXJP-AWEZNQCLSA-N 0 3 308.853 3.143 20 30 DGEDHN C=CCCCCCN1CCC[C@@H]1CNC(=O)c1nccs1 ZINC001713516280 1202663816 /nfs/dbraw/zinc/66/38/16/1202663816.db2.gz KVROFNDOGKRKCG-CQSZACIVSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C1(c2ccccc2C)CCC1 ZINC001713518084 1202663864 /nfs/dbraw/zinc/66/38/64/1202663864.db2.gz DIENHQQWCHRDBM-KRWDZBQOSA-N 0 3 312.457 3.183 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001713517777 1202663963 /nfs/dbraw/zinc/66/39/63/1202663963.db2.gz QIXWSDOAYAKDOL-CHWSQXEVSA-N 0 3 324.877 3.109 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001713531007 1202665670 /nfs/dbraw/zinc/66/56/70/1202665670.db2.gz RBQIJHLAASXSIF-MRXNPFEDSA-N 0 3 318.436 3.429 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)CCc1cc(C)cc(C)c1 ZINC001713551416 1202669322 /nfs/dbraw/zinc/66/93/22/1202669322.db2.gz MHNJYZWLLVDKAJ-UHFFFAOYSA-N 0 3 314.473 3.088 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001713553216 1202669475 /nfs/dbraw/zinc/66/94/75/1202669475.db2.gz IHJYPMYMEYUTPJ-INIZCTEOSA-N 0 3 300.446 3.275 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1ccc2ncccc2c1)C1CC1 ZINC001713554408 1202669977 /nfs/dbraw/zinc/66/99/77/1202669977.db2.gz SDBOIGOUDLEQSP-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C#CCCCC(=O)NCCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC001713556412 1202670088 /nfs/dbraw/zinc/67/00/88/1202670088.db2.gz NHVAZGSIHKGWNL-UHFFFAOYSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN(CCNC(=O)c1ccccc1CC(C)C)C1CC1 ZINC001713565945 1202671654 /nfs/dbraw/zinc/67/16/54/1202671654.db2.gz HGNLTUYXURPGKI-UHFFFAOYSA-N 0 3 300.446 3.265 20 30 DGEDHN CCC(=O)NCCCN(CC#Cc1cccc(Cl)c1)C(C)C ZINC001713684347 1202676951 /nfs/dbraw/zinc/67/69/51/1202676951.db2.gz LDUNOHNXRAVTDH-UHFFFAOYSA-N 0 3 320.864 3.318 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001713964696 1202708634 /nfs/dbraw/zinc/70/86/34/1202708634.db2.gz INMQPKPWGAUBII-MRVWCRGKSA-N 0 3 300.874 3.438 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001713716435 1202680612 /nfs/dbraw/zinc/68/06/12/1202680612.db2.gz PLLMCGYLVWYSPK-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CCCCCF)C2)CC1 ZINC001713791623 1202691239 /nfs/dbraw/zinc/69/12/39/1202691239.db2.gz LXUZGQLOAUJXRK-KRWDZBQOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN(C[C@H](C)OC)C2)CCCCC1 ZINC001713802581 1202692085 /nfs/dbraw/zinc/69/20/85/1202692085.db2.gz OKTVLLSNYBFMSM-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001713838698 1202694795 /nfs/dbraw/zinc/69/47/95/1202694795.db2.gz ZAYZQBHYMYDOGD-AWEZNQCLSA-N 0 3 323.506 3.480 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001713886685 1202699127 /nfs/dbraw/zinc/69/91/27/1202699127.db2.gz UPIJNWKFHVLNNH-IBGZPJMESA-N 0 3 312.457 3.009 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CC/C=C\c2ccccc2)C1 ZINC001713914395 1202701877 /nfs/dbraw/zinc/70/18/77/1202701877.db2.gz UOLFUTCELICHKF-WQLSENKSSA-N 0 3 312.457 3.350 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c[nH]1 ZINC001713927762 1202703004 /nfs/dbraw/zinc/70/30/04/1202703004.db2.gz KKCAHKPKUYXKFF-GJZGRUSLSA-N 0 3 321.852 3.313 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(Cl)s1 ZINC001713937819 1202703943 /nfs/dbraw/zinc/70/39/43/1202703943.db2.gz WTEBNZVLSPIGGK-STQMWFEESA-N 0 3 324.877 3.195 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@H](N(C)C(=O)C#CC3CC3)C2)cc1 ZINC001714000809 1202721442 /nfs/dbraw/zinc/72/14/42/1202721442.db2.gz JLLXDWDRALIDQJ-FQEVSTJZSA-N 0 3 324.468 3.256 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@@H](N(C)C(=O)C#CC3CC3)C2)cc1 ZINC001714000810 1202722478 /nfs/dbraw/zinc/72/24/78/1202722478.db2.gz JLLXDWDRALIDQJ-HXUWFJFHSA-N 0 3 324.468 3.256 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)CC2CCCCC2)C1 ZINC001714027409 1202736398 /nfs/dbraw/zinc/73/63/98/1202736398.db2.gz NHYOHGYVNYFFFJ-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CC(C)(C)C(F)(F)F)C1 ZINC001714050507 1202751482 /nfs/dbraw/zinc/75/14/82/1202751482.db2.gz QQINMLMCGOUWEA-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)C(C)C)NCC#Cc1ccccc1 ZINC001714073725 1202762388 /nfs/dbraw/zinc/76/23/88/1202762388.db2.gz DYPIDOMOKHBYSA-SFHVURJKSA-N 0 3 314.473 3.205 20 30 DGEDHN CC[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)NCC#Cc1ccccc1 ZINC001714083103 1202766269 /nfs/dbraw/zinc/76/62/69/1202766269.db2.gz WMDKGUSISQJVRC-AEFFLSMTSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1ccnc(Cl)c1 ZINC001714108243 1202780690 /nfs/dbraw/zinc/78/06/90/1202780690.db2.gz WJYVXYNJGHZTNV-CQSZACIVSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cc(F)ccc1F ZINC001714110760 1202781445 /nfs/dbraw/zinc/78/14/45/1202781445.db2.gz KTTVAKFFNKNWJT-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CCNCc2cc(C)no2)CC1 ZINC001714266098 1202854912 /nfs/dbraw/zinc/85/49/12/1202854912.db2.gz HACJMBWIAVJOMF-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C[C@H](CNC(=O)CC1CC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001714268982 1202856897 /nfs/dbraw/zinc/85/68/97/1202856897.db2.gz VLLRCMWNBNBVHZ-GFCCVEGCSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N[C@H](C)c2ccccc2F)C1 ZINC001714274331 1202858805 /nfs/dbraw/zinc/85/88/05/1202858805.db2.gz UPRJXLFMACLKHY-ZIAGYGMSSA-N 0 3 304.409 3.337 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001714308962 1202876357 /nfs/dbraw/zinc/87/63/57/1202876357.db2.gz KFAZPOURFALPKN-CYBMUJFWSA-N 0 3 306.837 3.195 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001714412020 1202918485 /nfs/dbraw/zinc/91/84/85/1202918485.db2.gz LFUFMSBHGJRYJX-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001714415064 1202920090 /nfs/dbraw/zinc/92/00/90/1202920090.db2.gz ZSWCUKKIVXFLPR-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001714436267 1202932575 /nfs/dbraw/zinc/93/25/75/1202932575.db2.gz PZOGBGDZMIJASA-CXOXVUTBSA-N 0 3 324.468 3.426 20 30 DGEDHN CCCCC(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001714547416 1202992607 /nfs/dbraw/zinc/99/26/07/1202992607.db2.gz BJFCKUFEJFFWMM-HNNXBMFYSA-N 0 3 320.864 3.318 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)[C@H](C)c2ccccc2)cc1 ZINC001714551611 1202995483 /nfs/dbraw/zinc/99/54/83/1202995483.db2.gz HZDCJRDHGFWRLR-MRXNPFEDSA-N 0 3 306.409 3.091 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1c(C)cc(C)cc1C ZINC001714551465 1202995532 /nfs/dbraw/zinc/99/55/32/1202995532.db2.gz HHSJAIJTCBSASS-UHFFFAOYSA-N 0 3 302.462 3.372 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)[C@H](C)c1ccc(F)cc1 ZINC001714584173 1203024372 /nfs/dbraw/zinc/02/43/72/1203024372.db2.gz ONPGJUPKRSETPO-OAHLLOKOSA-N 0 3 318.436 3.374 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCc1ccc(C)s1 ZINC001714628010 1203061566 /nfs/dbraw/zinc/06/15/66/1203061566.db2.gz WAGOQDJFWPZNIN-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001714644152 1203071385 /nfs/dbraw/zinc/07/13/85/1203071385.db2.gz KRDLXUMPBRZRSC-QZTJIDSGSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)Cc1c(C)cc(C)cc1C ZINC001714655706 1203078710 /nfs/dbraw/zinc/07/87/10/1203078710.db2.gz GBECYWDUKPWTOG-UHFFFAOYSA-N 0 3 314.473 3.006 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](C)Cc1ccccc1Cl)C1CC1 ZINC001714672926 1203094819 /nfs/dbraw/zinc/09/48/19/1203094819.db2.gz GWQFOIBNADDRHL-CQSZACIVSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN(CCNC(=O)c1csc2c1CC[C@@H](C)C2)C1CC1 ZINC001714676272 1203095927 /nfs/dbraw/zinc/09/59/27/1203095927.db2.gz GQRKRSHYLZTDRA-CYBMUJFWSA-N 0 3 318.486 3.253 20 30 DGEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CC1(C)CCCC1 ZINC001714701428 1203105330 /nfs/dbraw/zinc/10/53/30/1203105330.db2.gz UKRPJOPWGRNXQA-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001714733259 1203112157 /nfs/dbraw/zinc/11/21/57/1203112157.db2.gz ZOCSLEFREBWBAS-NWDGAFQWSA-N 0 3 307.265 3.344 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001714781084 1203125936 /nfs/dbraw/zinc/12/59/36/1203125936.db2.gz UWBXDWVDHJHULJ-CQSZACIVSA-N 0 3 321.490 3.240 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC1CC1)c1ccc(C(C)C)cc1 ZINC001714832857 1203143973 /nfs/dbraw/zinc/14/39/73/1203143973.db2.gz NJSRULHBDTYDGQ-IBGZPJMESA-N 0 3 312.457 3.380 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001714859653 1203160019 /nfs/dbraw/zinc/16/00/19/1203160019.db2.gz FABBFLPHUVVOFG-VQTJNVASSA-N 0 3 324.468 3.292 20 30 DGEDHN C=CCCCC(=O)N1CCC(CN(C)Cc2cnc(C)o2)CC1 ZINC001714912676 1203195909 /nfs/dbraw/zinc/19/59/09/1203195909.db2.gz ODMMNQJZWFCHLQ-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ncoc2C)C1 ZINC001714922955 1203200671 /nfs/dbraw/zinc/20/06/71/1203200671.db2.gz FBUPGNAWRLKHOQ-HNNXBMFYSA-N 0 3 307.438 3.148 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cncc(F)c1)CC(C)C ZINC001714927263 1203203631 /nfs/dbraw/zinc/20/36/31/1203203631.db2.gz NWCFFSBABZFMGO-INIZCTEOSA-N 0 3 321.440 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001714964963 1203219434 /nfs/dbraw/zinc/21/94/34/1203219434.db2.gz CZHOSVDXAGXOFD-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C1CC1 ZINC001714989381 1203227792 /nfs/dbraw/zinc/22/77/92/1203227792.db2.gz DCEUNGOIHCHQTC-BPUTZDHNSA-N 0 3 314.429 3.410 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cnccc2c1 ZINC001714991914 1203228410 /nfs/dbraw/zinc/22/84/10/1203228410.db2.gz FHSQXNFBYLIZIM-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=CC[C@H](C(=O)N(C)[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001715027409 1203242567 /nfs/dbraw/zinc/24/25/67/1203242567.db2.gz BBURSZPHVPWNBP-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCc2cccs2)C1 ZINC001715031452 1203245335 /nfs/dbraw/zinc/24/53/35/1203245335.db2.gz MRWGIZCZPUSAKB-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccccc2Cl)C1 ZINC001715043625 1203251675 /nfs/dbraw/zinc/25/16/75/1203251675.db2.gz FUGAURJDOFKMKU-MRXNPFEDSA-N 0 3 320.864 3.381 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001715046473 1203252736 /nfs/dbraw/zinc/25/27/36/1203252736.db2.gz NUODSJGBVSALBZ-DLBZAZTESA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@@H](F)C2)CCCC1 ZINC001715095899 1203271620 /nfs/dbraw/zinc/27/16/20/1203271620.db2.gz WLMLUCOCUAXIMX-ZIAGYGMSSA-N 0 3 316.848 3.286 20 30 DGEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)CC1CCC1)C1CC1 ZINC001715108860 1203275322 /nfs/dbraw/zinc/27/53/22/1203275322.db2.gz ARQSGYVHYFVENC-OAQYLSRUSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001715134633 1203282980 /nfs/dbraw/zinc/28/29/80/1203282980.db2.gz MLPDKFCXOLSQPM-AWEZNQCLSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1cc(O)ccc1Cl ZINC001715244364 1203302649 /nfs/dbraw/zinc/30/26/49/1203302649.db2.gz IRBYRYZAZDRTIZ-LBPRGKRZSA-N 0 3 324.852 3.100 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCC=C(Cl)Cl ZINC001715356855 1203323466 /nfs/dbraw/zinc/32/34/66/1203323466.db2.gz NBQLKJROFJSMSC-CHWSQXEVSA-N 0 3 319.276 3.488 20 30 DGEDHN CC(C)[C@H](CNC(=O)[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001715487075 1203350269 /nfs/dbraw/zinc/35/02/69/1203350269.db2.gz MREFPAHOYXICPR-UXHICEINSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1cccc(C)c1)C(C)C ZINC001715500592 1203353778 /nfs/dbraw/zinc/35/37/78/1203353778.db2.gz XMKGHVJAZKFGTQ-KRWDZBQOSA-N 0 3 322.880 3.411 20 30 DGEDHN CCCc1ccc(CN(C)CCN(C)C(=O)C#CC(C)C)cc1 ZINC001715517210 1203358918 /nfs/dbraw/zinc/35/89/18/1203358918.db2.gz DQRCMKUBBXGZOG-UHFFFAOYSA-N 0 3 314.473 3.189 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1nc(Cl)sc1Cl ZINC001715526871 1203361230 /nfs/dbraw/zinc/36/12/30/1203361230.db2.gz DEKTUXKFZLOWKO-UHFFFAOYSA-N 0 3 322.261 3.030 20 30 DGEDHN C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001715525725 1203361265 /nfs/dbraw/zinc/36/12/65/1203361265.db2.gz FGGOIZRZJQEAQR-HOCLYGCPSA-N 0 3 304.434 3.091 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)Cc1ccc(OC)cc1 ZINC001715530548 1203363165 /nfs/dbraw/zinc/36/31/65/1203363165.db2.gz WJLHISUGCANPIQ-LJQANCHMSA-N 0 3 318.461 3.188 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H](C)c1ccco1)C(C)C ZINC001715689151 1203381194 /nfs/dbraw/zinc/38/11/94/1203381194.db2.gz DSJYXBIAHWXHAC-GXTWGEPZSA-N 0 3 312.841 3.256 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(c2cccc(F)c2)CC1 ZINC001715688502 1203381220 /nfs/dbraw/zinc/38/12/20/1203381220.db2.gz XGDAWGBZYSXQEK-ZDUSSCGKSA-N 0 3 324.827 3.094 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1ccc(F)c(F)c1 ZINC001715821413 1203395569 /nfs/dbraw/zinc/39/55/69/1203395569.db2.gz VDFUUGCKHYRXER-ONEGZZNKSA-N 0 3 308.372 3.083 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001715871603 1203399520 /nfs/dbraw/zinc/39/95/20/1203399520.db2.gz UKJKWULVHRJJRE-ARJAWSKDSA-N 0 3 318.848 3.458 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccc(CC)cc1 ZINC001715933914 1203406396 /nfs/dbraw/zinc/40/63/96/1203406396.db2.gz TULDLBVVWCUBFY-UHFFFAOYSA-N 0 3 314.473 3.333 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1(C2CCC2)CCC1 ZINC001715988340 1203416883 /nfs/dbraw/zinc/41/68/83/1203416883.db2.gz RCDOAFHRVLDDBE-KRWDZBQOSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001716025162 1203427202 /nfs/dbraw/zinc/42/72/02/1203427202.db2.gz PIZLDPIGYWBLMT-UHFFFAOYSA-N 0 3 311.429 3.262 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001716027577 1203427899 /nfs/dbraw/zinc/42/78/99/1203427899.db2.gz LOBYZSBNDPFXAZ-KBXCAEBGSA-N 0 3 316.420 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716038699 1203431691 /nfs/dbraw/zinc/43/16/91/1203431691.db2.gz OCEYDGGGNQVVOQ-CVEARBPZSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)CCc1scnc1C ZINC001716044037 1203434566 /nfs/dbraw/zinc/43/45/66/1203434566.db2.gz JWHFGAFPNNBJOV-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1cc(F)ccc1F ZINC001716142938 1203443178 /nfs/dbraw/zinc/44/31/78/1203443178.db2.gz FKQMCRNAXBEFPH-CYBMUJFWSA-N 0 3 310.388 3.306 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001716191185 1203447536 /nfs/dbraw/zinc/44/75/36/1203447536.db2.gz BIFXLWACHCRRRB-SNVBAGLBSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001716200051 1203448196 /nfs/dbraw/zinc/44/81/96/1203448196.db2.gz LVIMTODQOHZSOA-VBNZEHGJSA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2c1CCC2 ZINC001716201907 1203448603 /nfs/dbraw/zinc/44/86/03/1203448603.db2.gz ZRTGLFRZDGRSDT-CYBMUJFWSA-N 0 3 306.837 3.026 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001716253337 1203454161 /nfs/dbraw/zinc/45/41/61/1203454161.db2.gz RDRREMNABZTUAZ-HOTGVXAUSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCCC(=O)NC/C=C/CNCc1ccc(F)c(Cl)c1 ZINC001716272451 1203456216 /nfs/dbraw/zinc/45/62/16/1203456216.db2.gz IGJITVUPTSXKIM-SNAWJCMRSA-N 0 3 310.800 3.207 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC1=CCCCC1 ZINC001716389735 1203464623 /nfs/dbraw/zinc/46/46/23/1203464623.db2.gz WHHBYKGRMNSHQA-CYBMUJFWSA-N 0 3 317.458 3.105 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN[C@@H](CC)c1ccc(F)cc1F ZINC001716389569 1203464692 /nfs/dbraw/zinc/46/46/92/1203464692.db2.gz QADHHLGPSUQCQD-WBMJQRKESA-N 0 3 310.388 3.476 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1CCCCCC1 ZINC001716389437 1203464764 /nfs/dbraw/zinc/46/47/64/1203464764.db2.gz LIOSVNAUKMOELB-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001716438825 1203474375 /nfs/dbraw/zinc/47/43/75/1203474375.db2.gz NGITWPJGZKCBMD-HNNXBMFYSA-N 0 3 318.848 3.142 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001716458808 1203477865 /nfs/dbraw/zinc/47/78/65/1203477865.db2.gz VUYXZPBYVONBHG-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1ccccc1C1CC1 ZINC001716477189 1203483591 /nfs/dbraw/zinc/48/35/91/1203483591.db2.gz CGTCXHGLOUTWMP-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1coc2ccc(Cl)cc12 ZINC001716502935 1203494123 /nfs/dbraw/zinc/49/41/23/1203494123.db2.gz FCXBHEKNTBTHHR-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C1(CCc2ccccc2)CC1 ZINC001716506549 1203495529 /nfs/dbraw/zinc/49/55/29/1203495529.db2.gz DHCWCFGPPAHMQL-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001716509959 1203497161 /nfs/dbraw/zinc/49/71/61/1203497161.db2.gz ICRCAPOSFPVAQX-DZGCQCFKSA-N 0 3 322.836 3.023 20 30 DGEDHN C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001716509961 1203497172 /nfs/dbraw/zinc/49/71/72/1203497172.db2.gz ICRCAPOSFPVAQX-UKRRQHHQSA-N 0 3 322.836 3.023 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccccc1CCC ZINC001716554240 1203501590 /nfs/dbraw/zinc/50/15/90/1203501590.db2.gz AAPNMDBVIABHNU-UHFFFAOYSA-N 0 3 308.853 3.443 20 30 DGEDHN CCC1(C(=O)N(C)CCCNCc2ccccc2C#N)CCC1 ZINC001716560888 1203502355 /nfs/dbraw/zinc/50/23/55/1203502355.db2.gz LFXCYAJEKBBIDF-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001716559772 1203502601 /nfs/dbraw/zinc/50/26/01/1203502601.db2.gz VKAHZOBNTCWHBX-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccccc1Cl)C1CC1 ZINC001716606675 1203505837 /nfs/dbraw/zinc/50/58/37/1203505837.db2.gz UIQRYXFXBJOYNN-INIZCTEOSA-N 0 3 306.837 3.291 20 30 DGEDHN CC(C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1)=C1CCC1 ZINC001716609466 1203506212 /nfs/dbraw/zinc/50/62/12/1203506212.db2.gz GEGJRJZYSQNTHK-HXUWFJFHSA-N 0 3 322.452 3.023 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001716655408 1203514562 /nfs/dbraw/zinc/51/45/62/1203514562.db2.gz UVHHZLSMGKJVPE-WBMJQRKESA-N 0 3 304.434 3.364 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC001716656124 1203515460 /nfs/dbraw/zinc/51/54/60/1203515460.db2.gz LIJNTRJYBRFJQT-WHLIDYPQSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001716667149 1203519328 /nfs/dbraw/zinc/51/93/28/1203519328.db2.gz VIHSVJCMPFGDBQ-GOSISDBHSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001716725717 1203532716 /nfs/dbraw/zinc/53/27/16/1203532716.db2.gz YHMUWZGYVTWMDW-AEFFLSMTSA-N 0 3 310.457 3.405 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001716774301 1203540973 /nfs/dbraw/zinc/54/09/73/1203540973.db2.gz IVABFUQRADMHJM-HKUYNNGSSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001716773893 1203541048 /nfs/dbraw/zinc/54/10/48/1203541048.db2.gz SXRWZKCEGPEEAB-LBPRGKRZSA-N 0 3 312.866 3.448 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1ccc(F)cc1F ZINC001716773702 1203541069 /nfs/dbraw/zinc/54/10/69/1203541069.db2.gz NYXFRNVJKVWINN-HNNXBMFYSA-N 0 3 308.372 3.012 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCc1cnc(C)s1 ZINC001716778600 1203541327 /nfs/dbraw/zinc/54/13/27/1203541327.db2.gz XRLAVLICTOYNCD-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@@H]1CC1(C)C)c1ccc2ccccc2c1 ZINC001716813073 1203546215 /nfs/dbraw/zinc/54/62/15/1203546215.db2.gz ZTOQMWWMWDSENH-RBUKOAKNSA-N 0 3 320.436 3.266 20 30 DGEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CCCC1)C1CCC1 ZINC001716813538 1203546483 /nfs/dbraw/zinc/54/64/83/1203546483.db2.gz KAGBONCUROXULG-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001716815591 1203546903 /nfs/dbraw/zinc/54/69/03/1203546903.db2.gz XLGIZJQNLHSHHU-QGZVFWFLSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001716829757 1203549283 /nfs/dbraw/zinc/54/92/83/1203549283.db2.gz BVZXPGQHZLBZSG-KHVWPYCOSA-N 0 3 314.473 3.237 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001716829756 1203549481 /nfs/dbraw/zinc/54/94/81/1203549481.db2.gz BVZXPGQHZLBZSG-FUJWGRRUSA-N 0 3 314.473 3.237 20 30 DGEDHN C[C@@]1(NC(=O)C#CC2CC2)CCN(Cc2ccccc2C2CC2)C1 ZINC001716840666 1203552706 /nfs/dbraw/zinc/55/27/06/1203552706.db2.gz CYCWJVIDMNHJOK-OAQYLSRUSA-N 0 3 322.452 3.058 20 30 DGEDHN C[C@]1(NC(=O)C#CC2CC2)CCN(Cc2ccccc2C2CC2)C1 ZINC001716840665 1203552922 /nfs/dbraw/zinc/55/29/22/1203552922.db2.gz CYCWJVIDMNHJOK-NRFANRHFSA-N 0 3 322.452 3.058 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cccc(C)c1 ZINC001717003731 1203576358 /nfs/dbraw/zinc/57/63/58/1203576358.db2.gz JNBDDEWMHAYEGS-UHFFFAOYSA-N 0 3 320.436 3.250 20 30 DGEDHN CCC(=O)NCc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC001717117465 1203586982 /nfs/dbraw/zinc/58/69/82/1203586982.db2.gz TXTILRSPCPMFQP-OAHLLOKOSA-N 0 3 321.424 3.435 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C(CC)CC)cccc2C1 ZINC001717143698 1203590394 /nfs/dbraw/zinc/59/03/94/1203590394.db2.gz UEJZKTWENURBSF-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CC2(C)CCCCC2)CC1 ZINC001717196374 1203597736 /nfs/dbraw/zinc/59/77/36/1203597736.db2.gz CERQMCANAHTCDA-QGZVFWFLSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2ccccc2cc1F ZINC001717209151 1203602458 /nfs/dbraw/zinc/60/24/58/1203602458.db2.gz YNKLFVCCJHQWJZ-UHFFFAOYSA-N 0 3 312.388 3.006 20 30 DGEDHN C=C[C@H](CC(=O)N(C)CCCN(C)CC#CC)c1ccccc1 ZINC001717215231 1203605267 /nfs/dbraw/zinc/60/52/67/1203605267.db2.gz CGWXCZLMUHZUPL-GOSISDBHSA-N 0 3 312.457 3.150 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)CCCC)C2 ZINC001717244999 1203609063 /nfs/dbraw/zinc/60/90/63/1203609063.db2.gz LPUBGKJLGXIGBB-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)CC(C)C)C2 ZINC001717247631 1203610203 /nfs/dbraw/zinc/61/02/03/1203610203.db2.gz MAAAJCLWGNBBMQ-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(C)cc1Cl ZINC001717367382 1203626892 /nfs/dbraw/zinc/62/68/92/1203626892.db2.gz JAZZQRFVHAGVHS-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(C)[nH]c2ccccc21 ZINC001717368327 1203627351 /nfs/dbraw/zinc/62/73/51/1203627351.db2.gz BKNVPNCHZYJJQU-HNNXBMFYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)C[C@H]1CCCCO1 ZINC001717372429 1203628556 /nfs/dbraw/zinc/62/85/56/1203628556.db2.gz BVJNIBHHZPJPLD-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001717376034 1203630558 /nfs/dbraw/zinc/63/05/58/1203630558.db2.gz IZDGQVQZKZRNII-MNNVXMFVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)CCOC1CCC1 ZINC001717375262 1203630806 /nfs/dbraw/zinc/63/08/06/1203630806.db2.gz WERLJBVIUGBLLL-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001717424913 1203641783 /nfs/dbraw/zinc/64/17/83/1203641783.db2.gz LMRHIOAISROXKB-QWHCGFSZSA-N 0 3 310.388 3.304 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001717457246 1203648407 /nfs/dbraw/zinc/64/84/07/1203648407.db2.gz BRFDXFJMQCTNAA-YOEHRIQHSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(C)cc1 ZINC001717460598 1203649194 /nfs/dbraw/zinc/64/91/94/1203649194.db2.gz UZRWXPNCYIMQOG-UHFFFAOYSA-N 0 3 308.853 3.435 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1c(Cl)oc2ccccc21 ZINC001717485003 1203659935 /nfs/dbraw/zinc/65/99/35/1203659935.db2.gz BQPLGINBRICTOV-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H](C)CCCCC)C(C)(C)C1 ZINC001717585975 1203686432 /nfs/dbraw/zinc/68/64/32/1203686432.db2.gz BAMFGKCMMBKTMJ-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3(CC)CC3)C[C@H]2C1 ZINC001717623871 1203690849 /nfs/dbraw/zinc/69/08/49/1203690849.db2.gz OALKWVCTBCDYIH-SOUVJXGZSA-N 0 3 310.869 3.146 20 30 DGEDHN CCC(C)(C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001717737576 1203707110 /nfs/dbraw/zinc/70/71/10/1203707110.db2.gz BDYGZTOPXYZMPD-OAHLLOKOSA-N 0 3 318.436 3.050 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@H]1C ZINC001717808011 1203714839 /nfs/dbraw/zinc/71/48/39/1203714839.db2.gz HIGPUXLGBJDXCP-MLGOLLRUSA-N 0 3 308.372 3.010 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cc(C)ns2)C[C@H]1C ZINC001717812005 1203715477 /nfs/dbraw/zinc/71/54/77/1203715477.db2.gz JQUIBRQCFIIGTI-ZIAGYGMSSA-N 0 3 321.490 3.133 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H]1C ZINC001717854801 1203722137 /nfs/dbraw/zinc/72/21/37/1203722137.db2.gz YVZPURVCILVSRZ-QWHCGFSZSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)COc1ccc(C)cc1)C(C)C ZINC001717951829 1203734164 /nfs/dbraw/zinc/73/41/64/1203734164.db2.gz IIXFBDVTQPXCIK-UHFFFAOYSA-N 0 3 318.461 3.119 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)c2ccccc2)CC1 ZINC001717985497 1203740291 /nfs/dbraw/zinc/74/02/91/1203740291.db2.gz LZJKZWKHSFVXKW-SJORKVTESA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(CC)c(CCC)s1 ZINC001722913048 1203950816 /nfs/dbraw/zinc/95/08/16/1203950816.db2.gz AEJCRBINTQMVSL-CYBMUJFWSA-N 0 3 308.491 3.499 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCCC1(F)F ZINC001723085413 1203957214 /nfs/dbraw/zinc/95/72/14/1203957214.db2.gz XQASMZONWZIDRW-GFCCVEGCSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCCNCC=C(Cl)Cl)CC1 ZINC001723113962 1203957836 /nfs/dbraw/zinc/95/78/36/1203957836.db2.gz BNGBSALKXPXAQL-UHFFFAOYSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(F)ccc(C)c1F ZINC001723114801 1203958108 /nfs/dbraw/zinc/95/81/08/1203958108.db2.gz UJUAZXXFEISKES-UHFFFAOYSA-N 0 3 316.779 3.077 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001723134060 1203958654 /nfs/dbraw/zinc/95/86/54/1203958654.db2.gz YMXJIDOHCVQFKZ-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001723457819 1203974824 /nfs/dbraw/zinc/97/48/24/1203974824.db2.gz NCRCQZSAFVKRGO-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001723457818 1203975016 /nfs/dbraw/zinc/97/50/16/1203975016.db2.gz NCRCQZSAFVKRGO-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001723459213 1203975028 /nfs/dbraw/zinc/97/50/28/1203975028.db2.gz ZDHRMAVGJZQBDY-ZDUSSCGKSA-N 0 3 320.399 3.490 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001723470610 1203975967 /nfs/dbraw/zinc/97/59/67/1203975967.db2.gz NXTGSQVLZPHHNW-IBGZPJMESA-N 0 3 314.473 3.393 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001723485697 1203978722 /nfs/dbraw/zinc/97/87/22/1203978722.db2.gz YNMXIBFATZZWRL-MSOLQXFVSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCCCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001723509845 1203979926 /nfs/dbraw/zinc/97/99/26/1203979926.db2.gz NEUJGTMTFZATKE-HNNXBMFYSA-N 0 3 316.420 3.319 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001723554950 1203982156 /nfs/dbraw/zinc/98/21/56/1203982156.db2.gz XRRPHESFYYKSPM-SFHVURJKSA-N 0 3 318.436 3.497 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C/C=C/Cc1ccccc1 ZINC001723633383 1203985980 /nfs/dbraw/zinc/98/59/80/1203985980.db2.gz QFMLBUPQYYBNGN-HEVSSNLLSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccsc1 ZINC001723632212 1203986196 /nfs/dbraw/zinc/98/61/96/1203986196.db2.gz GVONFUSYIUPHHO-SJORKVTESA-N 0 3 318.486 3.322 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C/C=C\Cc1ccccc1 ZINC001723633381 1203986244 /nfs/dbraw/zinc/98/62/44/1203986244.db2.gz QFMLBUPQYYBNGN-GLCUZYPYSA-N 0 3 324.468 3.427 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001723647832 1203987032 /nfs/dbraw/zinc/98/70/32/1203987032.db2.gz UIWPBVMHJBLKLV-YIXHJXPBSA-N 0 3 310.869 3.408 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001723680122 1203988697 /nfs/dbraw/zinc/98/86/97/1203988697.db2.gz RFRUEBWENKOKCD-MJGOQNOKSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cc(C)ns1 ZINC001723937637 1203999046 /nfs/dbraw/zinc/99/90/46/1203999046.db2.gz NICJPRCJNIUKJR-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)CC(C)C)C2 ZINC001724126505 1204006186 /nfs/dbraw/zinc/00/61/86/1204006186.db2.gz TXXGLNXLPSIITD-FQEVSTJZSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C=C(CC)CC)C2 ZINC001724125146 1204006244 /nfs/dbraw/zinc/00/62/44/1204006244.db2.gz BOBSWFXMWIEYFX-LJQANCHMSA-N 0 3 302.462 3.071 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccc(F)cc2F)C1 ZINC001724179059 1204012401 /nfs/dbraw/zinc/01/24/01/1204012401.db2.gz LJEUUWVWABZIFG-GOSISDBHSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001724185269 1204012952 /nfs/dbraw/zinc/01/29/52/1204012952.db2.gz WSLYDKMMUXOQRK-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001724329248 1204022049 /nfs/dbraw/zinc/02/20/49/1204022049.db2.gz FCMREFIGPWBHJG-LJQANCHMSA-N 0 3 318.436 3.460 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001724342247 1204024015 /nfs/dbraw/zinc/02/40/15/1204024015.db2.gz GHCCIIPKTLWLAL-LJQANCHMSA-N 0 3 311.429 3.186 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC001724729653 1204040698 /nfs/dbraw/zinc/04/06/98/1204040698.db2.gz QBKZIHBASCYJTG-UKRRQHHQSA-N 0 3 324.852 3.039 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccoc2C)cc1 ZINC001724743675 1204042779 /nfs/dbraw/zinc/04/27/79/1204042779.db2.gz WQMMNXDKDLRCLK-AWEZNQCLSA-N 0 3 310.397 3.192 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC001724846900 1204055290 /nfs/dbraw/zinc/05/52/90/1204055290.db2.gz UWBKJOOREFUKBK-PKOBYXMFSA-N 0 3 312.457 3.174 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1coc2c1cccc2C ZINC001724852971 1204056946 /nfs/dbraw/zinc/05/69/46/1204056946.db2.gz RUZQOOOKLUEDEU-UHFFFAOYSA-N 0 3 312.413 3.158 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001724893021 1204063249 /nfs/dbraw/zinc/06/32/49/1204063249.db2.gz IVBZKBLMQKTADQ-SFHVURJKSA-N 0 3 300.446 3.294 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC(CC)CC)C2 ZINC001724896545 1204064894 /nfs/dbraw/zinc/06/48/94/1204064894.db2.gz GBCVDQHXHFYKSU-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)C(C)(C)C1 ZINC001724965074 1204072304 /nfs/dbraw/zinc/07/23/04/1204072304.db2.gz FXIBLAFWDPSMHW-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001724995499 1204076413 /nfs/dbraw/zinc/07/64/13/1204076413.db2.gz OIGVRZSETMPXHT-ZBFHGGJFSA-N 0 3 304.459 3.021 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001725011244 1204079304 /nfs/dbraw/zinc/07/93/04/1204079304.db2.gz PSANQOZADLRXHL-ICFOKQHNSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCCCCN1CCc2ccccc2[C@H]1CNC(C)=O ZINC001725012472 1204079442 /nfs/dbraw/zinc/07/94/42/1204079442.db2.gz OYOPBNLICXWVFM-LJQANCHMSA-N 0 3 300.446 3.468 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccccn2)CC1 ZINC001725024210 1204081097 /nfs/dbraw/zinc/08/10/97/1204081097.db2.gz OVTIDUXNHKXLLU-UHFFFAOYSA-N 0 3 321.852 3.008 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001725111656 1204097303 /nfs/dbraw/zinc/09/73/03/1204097303.db2.gz URFTUPAUCDUNIP-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(Cl)o1 ZINC001725142077 1204102506 /nfs/dbraw/zinc/10/25/06/1204102506.db2.gz UXSBHSLDJYNHJI-UHFFFAOYSA-N 0 3 319.232 3.373 20 30 DGEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)Cc1ccc(C2CCC2)cc1 ZINC001725158935 1204106441 /nfs/dbraw/zinc/10/64/41/1204106441.db2.gz HMCIQKUREQNMAY-MRXNPFEDSA-N 0 3 324.468 3.304 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1ccccc1C(C)C ZINC001725160387 1204107013 /nfs/dbraw/zinc/10/70/13/1204107013.db2.gz MGEACROTCFDDBT-KRWDZBQOSA-N 0 3 314.473 3.406 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCCc1cccs1 ZINC001725237430 1204124361 /nfs/dbraw/zinc/12/43/61/1204124361.db2.gz BUQZQCCGFZXYQI-MRXNPFEDSA-N 0 3 318.486 3.065 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CC1(c2ccccc2)CC1 ZINC001725238479 1204124806 /nfs/dbraw/zinc/12/48/06/1204124806.db2.gz 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1204144764 /nfs/dbraw/zinc/14/47/64/1204144764.db2.gz XDUJGOBSEROZEO-YGNAEDSMSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001725396925 1204145349 /nfs/dbraw/zinc/14/53/49/1204145349.db2.gz QWFBQYTUVNMLQA-CYBMUJFWSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNCc1oc(C)nc1C ZINC001725396922 1204145437 /nfs/dbraw/zinc/14/54/37/1204145437.db2.gz GZFRGTWMPMDLTR-CYBMUJFWSA-N 0 3 321.465 3.268 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1coc(C(F)F)c1 ZINC001725405069 1204146124 /nfs/dbraw/zinc/14/61/24/1204146124.db2.gz ZSNJHTQRWRNEQY-SNVBAGLBSA-N 0 3 320.767 3.458 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@H]1C ZINC001725556819 1204167421 /nfs/dbraw/zinc/16/74/21/1204167421.db2.gz IJHKANYJGFRSGU-DYVFJYSZSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@@H]1C ZINC001725559544 1204168164 /nfs/dbraw/zinc/16/81/64/1204168164.db2.gz XBESUENTRKMUBD-WCQYABFASA-N 0 3 312.866 3.447 20 30 DGEDHN CCCCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001725576170 1204170376 /nfs/dbraw/zinc/17/03/76/1204170376.db2.gz SACVDZHSTKNQRK-UONOGXRCSA-N 0 3 319.474 3.279 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001725593652 1204174957 /nfs/dbraw/zinc/17/49/57/1204174957.db2.gz MUSKSEHVSYAXRD-HIFRSBDPSA-N 0 3 322.399 3.400 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001725597374 1204175872 /nfs/dbraw/zinc/17/58/72/1204175872.db2.gz IDXOHYPKSYNCTM-DZGCQCFKSA-N 0 3 316.445 3.101 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001725622328 1204183134 /nfs/dbraw/zinc/18/31/34/1204183134.db2.gz HCZXZUVGGKECAJ-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cccs2)[C@H]1C ZINC001725645247 1204190364 /nfs/dbraw/zinc/19/03/64/1204190364.db2.gz ZFJNBSGSQPLXSW-GDBMZVCRSA-N 0 3 306.475 3.226 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@H]1CC[C@H](C)O1)C(C)C ZINC001725731612 1204204347 /nfs/dbraw/zinc/20/43/47/1204204347.db2.gz FCMUYIWUTRHTTG-DLBZAZTESA-N 0 3 310.482 3.079 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)Oc1cccc(C)c1)C(C)C ZINC001725733023 1204204548 /nfs/dbraw/zinc/20/45/48/1204204548.db2.gz LXZSJTVBAUHNIN-KRWDZBQOSA-N 0 3 318.461 3.117 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C=C2CCCCC2)CC1 ZINC001725769201 1204217263 /nfs/dbraw/zinc/21/72/63/1204217263.db2.gz ZUWDFAOQZYDOGX-INIZCTEOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC(C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1)=C1CCC1 ZINC001725775622 1204219078 /nfs/dbraw/zinc/21/90/78/1204219078.db2.gz AQVJIFKKOYIOHB-UHFFFAOYSA-N 0 3 322.452 3.118 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](CCC)C(C)C)CC2)CC1 ZINC001725793139 1204223607 /nfs/dbraw/zinc/22/36/07/1204223607.db2.gz APQHDXVEDPVSBI-KRWDZBQOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@H]2C=CCC2)c(F)c1 ZINC001725831003 1204229385 /nfs/dbraw/zinc/22/93/85/1204229385.db2.gz IADNOPIFOASTHV-AWEZNQCLSA-N 0 3 302.393 3.074 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2CC3(CCC3)C2)c(F)c1 ZINC001725833549 1204230257 /nfs/dbraw/zinc/23/02/57/1204230257.db2.gz LLZCJRVMZDPYRE-UHFFFAOYSA-N 0 3 316.420 3.298 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H]1CCCCN1C(=O)CC1CC1 ZINC001731288299 1204363461 /nfs/dbraw/zinc/36/34/61/1204363461.db2.gz CWFCFQUASMNPMZ-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001731295803 1204365657 /nfs/dbraw/zinc/36/56/57/1204365657.db2.gz XHEOIDCBDDWNAY-LSDHHAIUSA-N 0 3 323.868 3.059 20 30 DGEDHN C#CCN(CCCNC(=O)c1cccc(C2CCC2)c1)C1CC1 ZINC001731341749 1204377424 /nfs/dbraw/zinc/37/74/24/1204377424.db2.gz BDLVZDFGQNUWKR-UHFFFAOYSA-N 0 3 310.441 3.172 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 ZINC001731421806 1204408295 /nfs/dbraw/zinc/40/82/95/1204408295.db2.gz HSOIWABQWDLLHH-HRCADAONSA-N 0 3 318.486 3.321 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCC1 ZINC001731425222 1204408991 /nfs/dbraw/zinc/40/89/91/1204408991.db2.gz JBTHCVHEXYZRAU-HDICACEKSA-N 0 3 318.461 3.102 20 30 DGEDHN O=C(C[C@H]1CC=CCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001731451958 1204416572 /nfs/dbraw/zinc/41/65/72/1204416572.db2.gz ZBYPNWVGTRGGHL-UFYCRDLUSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001731485474 1204427860 /nfs/dbraw/zinc/42/78/60/1204427860.db2.gz RIJCCEFWHFCIDR-KFWWJZLASA-N 0 3 304.409 3.480 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001731485843 1204427989 /nfs/dbraw/zinc/42/79/89/1204427989.db2.gz WVZRWLDOWLLXDH-OKILXGFUSA-N 0 3 308.372 3.058 20 30 DGEDHN CCCCC(=O)NC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001731494308 1204431302 /nfs/dbraw/zinc/43/13/02/1204431302.db2.gz FBSHJHVVSIWVTF-GOSISDBHSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494609 1204432265 /nfs/dbraw/zinc/43/22/65/1204432265.db2.gz IYXHRARGPXSWNS-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494609 1204432269 /nfs/dbraw/zinc/43/22/69/1204432269.db2.gz IYXHRARGPXSWNS-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001731525014 1204442133 /nfs/dbraw/zinc/44/21/33/1204442133.db2.gz QXYLDDQSDYVRKZ-GFAPJHNFSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(COC)CCCCC1 ZINC001731538144 1204449367 /nfs/dbraw/zinc/44/93/67/1204449367.db2.gz XCBLVHPRLHSQKJ-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001731557614 1204460936 /nfs/dbraw/zinc/46/09/36/1204460936.db2.gz HBHSFQAEAYKFGU-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCCC(C)C)C1 ZINC001731560338 1204462205 /nfs/dbraw/zinc/46/22/05/1204462205.db2.gz VRGYBRBOTRKERF-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001731715035 1204518275 /nfs/dbraw/zinc/51/82/75/1204518275.db2.gz OJHGTETZPJIDLI-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H](C)NCc1c(F)cccc1F ZINC001731728298 1204526223 /nfs/dbraw/zinc/52/62/23/1204526223.db2.gz ULJGVLVTDTZSRM-CYBMUJFWSA-N 0 3 310.388 3.306 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001731781555 1204553013 /nfs/dbraw/zinc/55/30/13/1204553013.db2.gz YHFNVOFUEYOHMH-GOSISDBHSA-N 0 3 316.420 3.055 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H](c1ccccc1)C(C)C)C1CC1 ZINC001731882385 1204621283 /nfs/dbraw/zinc/62/12/83/1204621283.db2.gz NWFVOTDZJYTBLE-GOSISDBHSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c[nH]c2ccc(F)cc12)C1CC1 ZINC001731883165 1204623259 /nfs/dbraw/zinc/62/32/59/1204623259.db2.gz BVAABWNBPDQTOV-UHFFFAOYSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001731914163 1204629472 /nfs/dbraw/zinc/62/94/72/1204629472.db2.gz MLUOKSMDQUOFIQ-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN CCC[C@](C)(CC)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001731969588 1204637583 /nfs/dbraw/zinc/63/75/83/1204637583.db2.gz KWXFZAYYYHVWGT-IBGZPJMESA-N 0 3 315.461 3.323 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001731967157 1204637621 /nfs/dbraw/zinc/63/76/21/1204637621.db2.gz SERJXQTUYZYSLY-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)Cc1ccc(C)o1)c1ccccc1 ZINC001732018941 1204650771 /nfs/dbraw/zinc/65/07/71/1204650771.db2.gz DNCYGDDWUQBGEJ-SFHVURJKSA-N 0 3 312.413 3.154 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC001732022379 1204652491 /nfs/dbraw/zinc/65/24/91/1204652491.db2.gz ITKAQCYWKHYCQR-HZPDHXFCSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1c(C)cccc1F)c1ccccc1 ZINC001732027497 1204654014 /nfs/dbraw/zinc/65/40/14/1204654014.db2.gz UWVNLXGCIJSSBG-GOSISDBHSA-N 0 3 324.399 3.218 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CC[C@H]2CCCCO2)C1 ZINC001732080567 1204684421 /nfs/dbraw/zinc/68/44/21/1204684421.db2.gz VMVSJDAQWRPTJU-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001732083367 1204686943 /nfs/dbraw/zinc/68/69/43/1204686943.db2.gz SGKMPDBLTORJAK-HXUWFJFHSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1CC ZINC001732144054 1204711822 /nfs/dbraw/zinc/71/18/22/1204711822.db2.gz JDPVTSRMXQYQCN-IRXDYDNUSA-N 0 3 316.420 3.253 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001732147445 1204712517 /nfs/dbraw/zinc/71/25/17/1204712517.db2.gz OEGQWNBNVRIPNV-PNKHAZJDSA-N 0 3 304.478 3.288 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(Cl)c1 ZINC001732147060 1204713436 /nfs/dbraw/zinc/71/34/36/1204713436.db2.gz ILKSUBRZLYXUTG-IRXDYDNUSA-N 0 3 318.848 3.134 20 30 DGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001732147197 1204713485 /nfs/dbraw/zinc/71/34/85/1204713485.db2.gz JUEMBFORTYICHJ-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001732195481 1204744162 /nfs/dbraw/zinc/74/41/62/1204744162.db2.gz QSWWOVNDKSMPFB-XJKSGUPXSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCC=C(Cl)Cl)C1 ZINC001732210018 1204750240 /nfs/dbraw/zinc/75/02/40/1204750240.db2.gz DRVYSOUROCLLOI-LLVKDONJSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1cc(C)ns1 ZINC001732222824 1204758266 /nfs/dbraw/zinc/75/82/66/1204758266.db2.gz KVWUDLNKSLPHAY-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN CCC(=O)N[C@]1(CNCC#Cc2ccccc2)CCCC[C@@H]1C ZINC001732253909 1204771664 /nfs/dbraw/zinc/77/16/64/1204771664.db2.gz QXNBTMQBUKDFBW-PXNSSMCTSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001732353278 1204802246 /nfs/dbraw/zinc/80/22/46/1204802246.db2.gz FRSSXTDGBAHMTO-GGQLTLKSSA-N 0 3 307.265 3.250 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@H](F)C2)CCCC1 ZINC001732392265 1204816743 /nfs/dbraw/zinc/81/67/43/1204816743.db2.gz IFYHCGHXZTZLDZ-KBPBESRZSA-N 0 3 316.848 3.286 20 30 DGEDHN C[C@@H](C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1)C(C)(C)C ZINC001732426147 1204835230 /nfs/dbraw/zinc/83/52/30/1204835230.db2.gz LMIOEQHOBQYIKE-STQMWFEESA-N 0 3 321.490 3.238 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001732436714 1204840989 /nfs/dbraw/zinc/84/09/89/1204840989.db2.gz JXEOLRHNZMXIQI-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(Br)CN[C@@H](CNC(=O)C(CC)CC)C(C)C ZINC001732552929 1204893150 /nfs/dbraw/zinc/89/31/50/1204893150.db2.gz ASYXJDPSHGXQBL-ZDUSSCGKSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cscc1Cl)C(C)C ZINC001732557300 1204895170 /nfs/dbraw/zinc/89/51/70/1204895170.db2.gz KOKLVGJMBYGHFA-LBPRGKRZSA-N 0 3 321.273 3.498 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001732564543 1204898639 /nfs/dbraw/zinc/89/86/39/1204898639.db2.gz GYSYUMHFYNXKQC-LJQANCHMSA-N 0 3 312.457 3.125 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001732677039 1204928228 /nfs/dbraw/zinc/92/82/28/1204928228.db2.gz MRPCNMRWGMPJNL-GUVYXZIWSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(Cl)ccc1C ZINC001732736681 1204935836 /nfs/dbraw/zinc/93/58/36/1204935836.db2.gz AHHUVKORMVIEGD-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(Cl)cn1CC ZINC001732753077 1204937852 /nfs/dbraw/zinc/93/78/52/1204937852.db2.gz JJKFSHAKPGERFM-NSHDSACASA-N 0 3 318.248 3.012 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCCCC1(C)C ZINC001732759070 1204939519 /nfs/dbraw/zinc/93/95/19/1204939519.db2.gz JGBORXDDSDDLTE-KBPBESRZSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2conc2C)CCCC1 ZINC001732758175 1204939394 /nfs/dbraw/zinc/93/93/94/1204939394.db2.gz XERCMNHMFRNZNT-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CN[C@H](C)c1ccc(F)cc1 ZINC001732887080 1204954820 /nfs/dbraw/zinc/95/48/20/1204954820.db2.gz HPJYMQCSIDMRPW-LMVHVUTASA-N 0 3 304.409 3.361 20 30 DGEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C2CCC=CCC2)cc1 ZINC001732937395 1204960712 /nfs/dbraw/zinc/96/07/12/1204960712.db2.gz XBBFDNKUKRLDIM-AATRIKPKSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001733010268 1204980955 /nfs/dbraw/zinc/98/09/55/1204980955.db2.gz SWGRMHPDRKLVCX-LSDHHAIUSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001733010267 1204981048 /nfs/dbraw/zinc/98/10/48/1204981048.db2.gz SWGRMHPDRKLVCX-GJZGRUSLSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1oc(C(F)F)cc1C ZINC001733104638 1205024626 /nfs/dbraw/zinc/02/46/26/1205024626.db2.gz CTRZQUBCKFYVJF-UHFFFAOYSA-N 0 3 320.767 3.330 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1cnc(C)s1)C1CC1 ZINC001733170269 1205032749 /nfs/dbraw/zinc/03/27/49/1205032749.db2.gz FKEUVPQGFCMBRA-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001733208080 1205044299 /nfs/dbraw/zinc/04/42/99/1205044299.db2.gz TYSUVTWQQNKBFS-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001733210060 1205045353 /nfs/dbraw/zinc/04/53/53/1205045353.db2.gz GVCACASVPDWEKH-CABCVRRESA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001733221748 1205052209 /nfs/dbraw/zinc/05/22/09/1205052209.db2.gz QZZFVXUJJQHIIB-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001733227004 1205056678 /nfs/dbraw/zinc/05/66/78/1205056678.db2.gz JARPPRDPBCLRJI-JSGCOSHPSA-N 0 3 322.474 3.224 20 30 DGEDHN C=CC1(CC(=O)NC[C@H]2CCN2CC[C@H](C)F)CCCCC1 ZINC001733227569 1205057415 /nfs/dbraw/zinc/05/74/15/1205057415.db2.gz VNACNSAQFPQWRN-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc2ccccc2c1 ZINC001733233493 1205060766 /nfs/dbraw/zinc/06/07/66/1205060766.db2.gz WVTSWPYEDWPWBT-IBGZPJMESA-N 0 3 308.425 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001733236918 1205062898 /nfs/dbraw/zinc/06/28/98/1205062898.db2.gz LKCDAIZJQCCGKL-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@@H](F)C1)C1CCN(CC=C(C)C)CC1 ZINC001733372541 1205108062 /nfs/dbraw/zinc/10/80/62/1205108062.db2.gz QSQKQQRBWGSNBT-IAGOWNOFSA-N 0 3 320.452 3.017 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2cccc(CC)c2)C1 ZINC001733403884 1205119118 /nfs/dbraw/zinc/11/91/18/1205119118.db2.gz XEBQZGVVHYVKSP-HXUWFJFHSA-N 0 3 312.457 3.133 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC2(C)CCCC2)C1 ZINC001733458005 1205140882 /nfs/dbraw/zinc/14/08/82/1205140882.db2.gz HVJLYINQSOTDQF-LJQANCHMSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001733463343 1205144079 /nfs/dbraw/zinc/14/40/79/1205144079.db2.gz UROSOJRRFCZSTI-GOEBONIOSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(c3ccccc3)CC2)C1 ZINC001733463299 1205144556 /nfs/dbraw/zinc/14/45/56/1205144556.db2.gz QTDNLIPYDCRKLC-IBGZPJMESA-N 0 3 312.457 3.123 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001733469666 1205147278 /nfs/dbraw/zinc/14/72/78/1205147278.db2.gz YHYYNGYBRQGYFV-NRFANRHFSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001733467466 1205147480 /nfs/dbraw/zinc/14/74/80/1205147480.db2.gz GVBRYYNKJNDXDV-RJYAGPCLSA-N 0 3 306.494 3.463 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1occc1C)c1ccccc1CC ZINC001733512773 1205150606 /nfs/dbraw/zinc/15/06/06/1205150606.db2.gz HTOZHVHIJCUQHJ-QGZVFWFLSA-N 0 3 312.413 3.397 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@H](F)CC ZINC001733602505 1205171446 /nfs/dbraw/zinc/17/14/46/1205171446.db2.gz WGRWSICCZOKLPG-OAGGEKHMSA-N 0 3 310.457 3.402 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C(C)(C)C ZINC001733677811 1205182109 /nfs/dbraw/zinc/18/21/09/1205182109.db2.gz SQWJYWNOPBJVEC-MRXNPFEDSA-N 0 3 314.473 3.440 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@H](CCCCC)C(C)C)C2)CC1 ZINC001733695881 1205187875 /nfs/dbraw/zinc/18/78/75/1205187875.db2.gz PTUUWAFXDHRJID-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001733780804 1205216255 /nfs/dbraw/zinc/21/62/55/1205216255.db2.gz RBSUWPQFALXHAX-MJGOQNOKSA-N 0 3 314.473 3.230 20 30 DGEDHN CC(C)(C)C#CC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001733836296 1205227584 /nfs/dbraw/zinc/22/75/84/1205227584.db2.gz QXARZNIRCWTIBI-UHFFFAOYSA-N 0 3 310.441 3.078 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCCC2CCCCC2)C[C@@H]1C ZINC001733900128 1205246532 /nfs/dbraw/zinc/24/65/32/1205246532.db2.gz JWIAUYCZNOFISF-FUHWJXTLSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)/C=C/c1ccco1 ZINC001733923285 1205255215 /nfs/dbraw/zinc/25/52/15/1205255215.db2.gz NUWVSGDSFSJLKS-CLKPHGLSSA-N 0 3 322.408 3.241 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2nccc(C)c2c1 ZINC001733930714 1205260819 /nfs/dbraw/zinc/26/08/19/1205260819.db2.gz YJFSXUFNVYXPRP-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C(C)C)nc1C ZINC001733935366 1205263859 /nfs/dbraw/zinc/26/38/59/1205263859.db2.gz GIEIYWUHOGNLNF-MRXNPFEDSA-N 0 3 315.461 3.236 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C2(C(F)F)CCCC2)C1 ZINC001733956215 1205270407 /nfs/dbraw/zinc/27/04/07/1205270407.db2.gz XMFVERFZCVWLAB-UHFFFAOYSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001733957619 1205271022 /nfs/dbraw/zinc/27/10/22/1205271022.db2.gz DDEYVKDOPHEDLL-DQPZFDDXSA-N 0 3 310.869 3.360 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001733990075 1205280499 /nfs/dbraw/zinc/28/04/99/1205280499.db2.gz BPSZLTIJYLASLV-CABCVRRESA-N 0 3 304.409 3.002 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001733996312 1205283205 /nfs/dbraw/zinc/28/32/05/1205283205.db2.gz OQTYQAZMVRYEFP-KGLIPLIRSA-N 0 3 306.425 3.411 20 30 DGEDHN C[C@H](CNC(=O)CCC1CCC1)N(C)Cc1ccc(C#N)cc1 ZINC001734035815 1205298053 /nfs/dbraw/zinc/29/80/53/1205298053.db2.gz RQZJAXDIXHLJFB-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)CCc1csc(C)n1 ZINC001734039224 1205299969 /nfs/dbraw/zinc/29/99/69/1205299969.db2.gz JHBJNFFAVSWMCP-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CCCC)CNCc2ccns2)C1 ZINC001734097432 1205321561 /nfs/dbraw/zinc/32/15/61/1205321561.db2.gz PKLULEXLTRVWGF-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001734119333 1205329174 /nfs/dbraw/zinc/32/91/74/1205329174.db2.gz NVWUPJTUXLDKQZ-STQMWFEESA-N 0 3 322.399 3.081 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001734121604 1205329676 /nfs/dbraw/zinc/32/96/76/1205329676.db2.gz VGFAYGQRVXGQPZ-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)c(C)c1 ZINC001734141264 1205332405 /nfs/dbraw/zinc/33/24/05/1205332405.db2.gz DECFDACNTYZYAR-IBGZPJMESA-N 0 3 324.468 3.043 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cc(C)cc(C)c2)C(C)(C)C1 ZINC001734154890 1205337669 /nfs/dbraw/zinc/33/76/69/1205337669.db2.gz URWLQDRQTHGECA-GOSISDBHSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001734237575 1205348489 /nfs/dbraw/zinc/34/84/89/1205348489.db2.gz NXXUWKWGBDLWMV-XUWVNRHRSA-N 0 3 310.869 3.216 20 30 DGEDHN CC(C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001734315085 1205362951 /nfs/dbraw/zinc/36/29/51/1205362951.db2.gz SLJWZUJHOLIFSU-INIZCTEOSA-N 0 3 318.436 3.050 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2sc(C)nc2C)C1 ZINC001734343413 1205368127 /nfs/dbraw/zinc/36/81/27/1205368127.db2.gz GARHDTXYRUSMJS-LBPRGKRZSA-N 0 3 321.490 3.053 20 30 DGEDHN C[C@@H](CN(C)C(=O)CCC1(C)CC1)NCC#Cc1ccccc1 ZINC001734348226 1205368777 /nfs/dbraw/zinc/36/87/77/1205368777.db2.gz AOOMKAXDXMVMSL-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001734347387 1205368930 /nfs/dbraw/zinc/36/89/30/1205368930.db2.gz QCQDSHCRMMPQHZ-IEBWSBKVSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CCCC)cc2)C1 ZINC001734414751 1205374136 /nfs/dbraw/zinc/37/41/36/1205374136.db2.gz ABGHZWCKYAHNNQ-VQIMIIECSA-N 0 3 312.457 3.245 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001734419451 1205374615 /nfs/dbraw/zinc/37/46/15/1205374615.db2.gz PGJYUCVQIRFUPC-NVXWUHKLSA-N 0 3 316.420 3.098 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC3(C=C)CCCCC3)CCC[C@@H]12 ZINC001734439846 1205377839 /nfs/dbraw/zinc/37/78/39/1205377839.db2.gz LLYXUQQEGDLGFG-YLJYHZDGSA-N 0 3 314.473 3.259 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C(C)C ZINC001734552488 1205391794 /nfs/dbraw/zinc/39/17/94/1205391794.db2.gz BVJDWKSLHHDAER-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1ccccc1C)C(C)C ZINC001734552950 1205392016 /nfs/dbraw/zinc/39/20/16/1205392016.db2.gz IFGBRYMMZQFERB-QGZVFWFLSA-N 0 3 302.462 3.453 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](CC)CCCC)CC1 ZINC001734578572 1205399288 /nfs/dbraw/zinc/39/92/88/1205399288.db2.gz FTHDIDYUVNECLK-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)CCC)CC[C@@H]1C(F)(F)F ZINC001734588433 1205401977 /nfs/dbraw/zinc/40/19/77/1205401977.db2.gz BZKFPKLGPMYWAG-STQMWFEESA-N 0 3 320.399 3.368 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001734597894 1205403515 /nfs/dbraw/zinc/40/35/15/1205403515.db2.gz DBVAXBRSNKUETE-WLYUNCDWSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001573330481 947434980 /nfs/dbraw/zinc/43/49/80/947434980.db2.gz YLUYCYQBMVMSER-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001573330481 947434986 /nfs/dbraw/zinc/43/49/86/947434986.db2.gz YLUYCYQBMVMSER-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001573330481 947434991 /nfs/dbraw/zinc/43/49/91/947434991.db2.gz YLUYCYQBMVMSER-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001573330481 947434997 /nfs/dbraw/zinc/43/49/97/947434997.db2.gz YLUYCYQBMVMSER-GFCCVEGCSA-N 0 3 317.824 3.308 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](NCC=C(Cl)Cl)C2)C1 ZINC001209543598 1092815062 /nfs/dbraw/zinc/81/50/62/1092815062.db2.gz NKWVSHRDCNUEQP-GFCCVEGCSA-N 0 3 317.260 3.242 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169527464 1081583129 /nfs/dbraw/zinc/58/31/29/1081583129.db2.gz MTKRRYZCGTYDHX-SJLPKXTDSA-N 0 3 312.457 3.063 20 30 DGEDHN C=CCOCc1cccc(N2CCCc3ccc(CN)nc32)c1 ZINC001169591942 1081599955 /nfs/dbraw/zinc/59/99/55/1081599955.db2.gz PZAPBFIKNPVFCQ-UHFFFAOYSA-N 0 3 309.413 3.327 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)Cc1c(C)cc(C)cc1C ZINC001266270342 1081605208 /nfs/dbraw/zinc/60/52/08/1081605208.db2.gz OPYSQVXFCAIZJJ-UHFFFAOYSA-N 0 3 314.473 3.353 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001266288896 1081633397 /nfs/dbraw/zinc/63/33/97/1081633397.db2.gz TXEUISNUUWYZOT-UHFFFAOYSA-N 0 3 302.409 3.216 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1cc(C2CC2)no1 ZINC001169705525 1081634372 /nfs/dbraw/zinc/63/43/72/1081634372.db2.gz LFQLNYCBOYWASL-CQSZACIVSA-N 0 3 319.449 3.283 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001266333983 1081675330 /nfs/dbraw/zinc/67/53/30/1081675330.db2.gz YBTMKAXDGXXIAY-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001266366541 1081707564 /nfs/dbraw/zinc/70/75/64/1081707564.db2.gz URQVFPPRICIAMA-QGZVFWFLSA-N 0 3 316.420 3.263 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001266388174 1081729812 /nfs/dbraw/zinc/72/98/12/1081729812.db2.gz UUGGBUTYPALKSH-AWEZNQCLSA-N 0 3 322.399 3.123 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@H]1CCc2ccc(F)cc21 ZINC001266387667 1081730366 /nfs/dbraw/zinc/73/03/66/1081730366.db2.gz BVXJTXVQPKFNOP-SFHVURJKSA-N 0 3 316.420 3.055 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)no1)C2 ZINC001108922325 1081734073 /nfs/dbraw/zinc/73/40/73/1081734073.db2.gz IJVUCPWYKJCFNM-PMPSAXMXSA-N 0 3 319.449 3.289 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1csc2cc(C)ccc21 ZINC001266392521 1081737754 /nfs/dbraw/zinc/73/77/54/1081737754.db2.gz KYVPDOAYMQKDBE-UHFFFAOYSA-N 0 3 302.443 3.447 20 30 DGEDHN C=CCC[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)s1)C2 ZINC001109025640 1081753871 /nfs/dbraw/zinc/75/38/71/1081753871.db2.gz UYKHDFZPHZCNGZ-ATGSNQNLSA-N 0 3 319.474 3.141 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CF)cc1 ZINC001109045987 1081754911 /nfs/dbraw/zinc/75/49/11/1081754911.db2.gz GONRCHOVFMVZIP-SQNIBIBYSA-N 0 3 316.420 3.344 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C)C2 ZINC001109117727 1081768891 /nfs/dbraw/zinc/76/88/91/1081768891.db2.gz KSSHVDGOIGYJCM-PMPSAXMXSA-N 0 3 319.449 3.289 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001109165924 1081775799 /nfs/dbraw/zinc/77/57/99/1081775799.db2.gz ANRMQHABWMNBIQ-AABGKKOBSA-N 0 3 324.468 3.410 20 30 DGEDHN Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c(C)c1 ZINC001109248769 1081789796 /nfs/dbraw/zinc/78/97/96/1081789796.db2.gz UWTCCPMVYRAENA-AABGKKOBSA-N 0 3 324.468 3.184 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1ccccc1F)C1CC1 ZINC001266428092 1081792456 /nfs/dbraw/zinc/79/24/56/1081792456.db2.gz AHAOWOUWIJURGA-PKOBYXMFSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001109353019 1081809453 /nfs/dbraw/zinc/80/94/53/1081809453.db2.gz FNLNMSQMZJJZAG-ILXRZTDVSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001109345071 1081810716 /nfs/dbraw/zinc/81/07/16/1081810716.db2.gz MMIAHQBXUZORQD-ZZVYKPCYSA-N 0 3 316.848 3.235 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1[C@@H](C)c1cccc(OC)c1 ZINC001266450169 1081836845 /nfs/dbraw/zinc/83/68/45/1081836845.db2.gz JPNISNNZOMAGFU-DOTOQJQBSA-N 0 3 316.445 3.303 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)CCC)C[C@H](C)O2 ZINC001111549856 1081843965 /nfs/dbraw/zinc/84/39/65/1081843965.db2.gz XGOIRVOXRSPCGK-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(F)ccc(F)c1Cl ZINC001167262216 1081865392 /nfs/dbraw/zinc/86/53/92/1081865392.db2.gz CVBVMTWHFLMNIQ-UHFFFAOYSA-N 0 3 323.170 3.080 20 30 DGEDHN CN1CC[C@H](Nc2ncc(Cl)cc2C#C[Si](C)(C)C)C1 ZINC001167273091 1081875506 /nfs/dbraw/zinc/87/55/06/1081875506.db2.gz QALBGPXTRYQUJO-AWEZNQCLSA-N 0 3 307.901 3.080 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCC(C)C ZINC001266478750 1081883226 /nfs/dbraw/zinc/88/32/26/1081883226.db2.gz UIZGQZXIKXQPMU-XDNAFOTISA-N 0 3 322.493 3.077 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001266489895 1081890734 /nfs/dbraw/zinc/89/07/34/1081890734.db2.gz UZESRABTEHRBJF-OIISXLGYSA-N 0 3 302.462 3.207 20 30 DGEDHN CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266500683 1081905308 /nfs/dbraw/zinc/90/53/08/1081905308.db2.gz VDHMSLOVSSQKIF-INIZCTEOSA-N 0 3 318.461 3.414 20 30 DGEDHN CCCCCCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266500683 1081905310 /nfs/dbraw/zinc/90/53/10/1081905310.db2.gz VDHMSLOVSSQKIF-INIZCTEOSA-N 0 3 318.461 3.414 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)Cc1ccccc1)C2 ZINC001109776649 1081912049 /nfs/dbraw/zinc/91/20/49/1081912049.db2.gz WXDFJRXPMPFCMJ-YRPNKDGESA-N 0 3 324.468 3.000 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C2 ZINC001109794673 1081916158 /nfs/dbraw/zinc/91/61/58/1081916158.db2.gz GJTDPTHGXHUQPV-YRXWBPOGSA-N 0 3 316.489 3.338 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nocc1C)C2 ZINC001109934003 1081935670 /nfs/dbraw/zinc/93/56/70/1081935670.db2.gz JUXQDYURBQKPGA-PMPSAXMXSA-N 0 3 319.449 3.289 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCCCC)C[C@H](C)O2 ZINC001111552938 1081947391 /nfs/dbraw/zinc/94/73/91/1081947391.db2.gz QNDIXGAXNQOKIO-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001086535724 1081954924 /nfs/dbraw/zinc/95/49/24/1081954924.db2.gz VXPYGZAOJFDAPB-SHTZXODSSA-N 0 3 323.868 3.064 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001649464459 1081956963 /nfs/dbraw/zinc/95/69/63/1081956963.db2.gz QMILBYZCMKBUOA-IAGOWNOFSA-N 0 3 310.457 3.263 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001266533595 1081963649 /nfs/dbraw/zinc/96/36/49/1081963649.db2.gz MTYIKRIUAPVNEK-PBHICJAKSA-N 0 3 306.475 3.289 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001266591848 1082042031 /nfs/dbraw/zinc/04/20/31/1082042031.db2.gz ZIHRMHWDOUMJAK-HAQNSBGRSA-N 0 3 324.877 3.188 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001112896390 1082042443 /nfs/dbraw/zinc/04/24/43/1082042443.db2.gz UTYJWKMWYQPUDY-IXDOHACOSA-N 0 3 304.478 3.169 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001266596003 1082047555 /nfs/dbraw/zinc/04/75/55/1082047555.db2.gz PEECEQJVIYUIGY-HDJSIYSDSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC001113083623 1082110725 /nfs/dbraw/zinc/11/07/25/1082110725.db2.gz JVKLWQDJFMIEAT-GOSISDBHSA-N 0 3 314.473 3.427 20 30 DGEDHN CN(CCNCc1cccc(C#N)c1)C(=O)C1CCCCCC1 ZINC001266657455 1082118419 /nfs/dbraw/zinc/11/84/19/1082118419.db2.gz YNXFTOZOTOUJAL-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1=CCCCCC1 ZINC001266678875 1082140648 /nfs/dbraw/zinc/14/06/48/1082140648.db2.gz RUUISSXQHGVLAZ-BGYRXZFFSA-N 0 3 322.452 3.165 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC001113282332 1082163758 /nfs/dbraw/zinc/16/37/58/1082163758.db2.gz WTIRGMMFMYFVBH-OAHLLOKOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001113290015 1082171567 /nfs/dbraw/zinc/17/15/67/1082171567.db2.gz RJYXHLHDXHKEOV-STQMWFEESA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCCC1(C(=O)N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC001113312774 1082175686 /nfs/dbraw/zinc/17/56/86/1082175686.db2.gz NKWGEHOXEOMVMW-KURKYZTESA-N 0 3 316.489 3.313 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC001113368348 1082184819 /nfs/dbraw/zinc/18/48/19/1082184819.db2.gz JPILQHBGYQJAJB-OAHLLOKOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC001113400327 1082200828 /nfs/dbraw/zinc/20/08/28/1082200828.db2.gz LEPADVKGTCOQFU-IRXDYDNUSA-N 0 3 315.461 3.074 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001266768151 1082205072 /nfs/dbraw/zinc/20/50/72/1082205072.db2.gz ZNEMONVAOIRKJC-ZWKOTPCHSA-N 0 3 322.468 3.146 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001266770503 1082206115 /nfs/dbraw/zinc/20/61/15/1082206115.db2.gz XOAGBPIBTBORTC-INIZCTEOSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1cc(F)ccc1C ZINC001266828346 1082246011 /nfs/dbraw/zinc/24/60/11/1082246011.db2.gz WHCCTDWNHZCLEX-SFHVURJKSA-N 0 3 306.425 3.284 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001113580614 1082253373 /nfs/dbraw/zinc/25/33/73/1082253373.db2.gz VBSPEQTYEVDXOS-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001266859017 1082276514 /nfs/dbraw/zinc/27/65/14/1082276514.db2.gz WCPMEFLZSNKMPI-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1ncccc1C ZINC001266875905 1082294651 /nfs/dbraw/zinc/29/46/51/1082294651.db2.gz CCLKEIHDTDPCPN-KRWDZBQOSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001266877285 1082295328 /nfs/dbraw/zinc/29/53/28/1082295328.db2.gz JSKNHMIKHLMTQY-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CCCC)CC1 ZINC001266893483 1082311671 /nfs/dbraw/zinc/31/16/71/1082311671.db2.gz VUYDQHJWVAYADB-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC001266933172 1082352834 /nfs/dbraw/zinc/35/28/34/1082352834.db2.gz MKPSJWABUKVCQB-QWHCGFSZSA-N 0 3 324.827 3.438 20 30 DGEDHN N#CC1(c2ccccc2)CCC(Nc2ccc(CN)nc2)CC1 ZINC001170365277 1082354640 /nfs/dbraw/zinc/35/46/40/1082354640.db2.gz TZYKWMXFCNNJCH-UHFFFAOYSA-N 0 3 306.413 3.356 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1c(C)cccc1C ZINC001480904150 1082363064 /nfs/dbraw/zinc/36/30/64/1082363064.db2.gz XPRCFHZEGYWIOT-QGZVFWFLSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001266967610 1082384924 /nfs/dbraw/zinc/38/49/24/1082384924.db2.gz HEKFTPIKSSCVQP-KDOFPFPSSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NCc1ccc(OC)c(F)c1 ZINC001266968556 1082387458 /nfs/dbraw/zinc/38/74/58/1082387458.db2.gz SIKLSZNQICJAQF-UGSOOPFHSA-N 0 3 322.424 3.031 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001266981292 1082400663 /nfs/dbraw/zinc/40/06/63/1082400663.db2.gz HBIKVDFPQLXWLO-DZGCQCFKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)C)C1 ZINC001086620905 1082458733 /nfs/dbraw/zinc/45/87/33/1082458733.db2.gz RRIQLNCVAUJKBN-DLBZAZTESA-N 0 3 300.446 3.193 20 30 DGEDHN CC[C@@H]1CC(NCCC#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170461762 1082508399 /nfs/dbraw/zinc/50/83/99/1082508399.db2.gz VYCQSQGCCKZCTI-HUUCEWRRSA-N 0 3 309.454 3.446 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)CC1CCCC1 ZINC001167561277 1082519973 /nfs/dbraw/zinc/51/99/73/1082519973.db2.gz PTHSMDHECWOILG-HNNXBMFYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1C ZINC001104426917 1082601769 /nfs/dbraw/zinc/60/17/69/1082601769.db2.gz WVHVBEKOVCZCQA-DMDPSCGWSA-N 0 3 322.827 3.104 20 30 DGEDHN CC[C@H](C)C(=O)NCCCN(Cc1ccc(C#N)s1)C(C)C ZINC001267235398 1082678949 /nfs/dbraw/zinc/67/89/49/1082678949.db2.gz AADARNSUGRSDKK-AWEZNQCLSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCCCC)C[C@H](C)O2 ZINC001131697148 1082707996 /nfs/dbraw/zinc/70/79/96/1082707996.db2.gz HEKXUEKYIQPOJJ-PKOBYXMFSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CCC2CCCC2)CC[C@H]1C ZINC001131764202 1082726462 /nfs/dbraw/zinc/72/64/62/1082726462.db2.gz DNEAAUXZKPVHSG-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001131824399 1082735565 /nfs/dbraw/zinc/73/55/65/1082735565.db2.gz BDPZFOMUSIAQJW-OCCSQVGLSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001267276602 1082738332 /nfs/dbraw/zinc/73/83/32/1082738332.db2.gz OURFZPCHIRRNPP-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001267279227 1082742033 /nfs/dbraw/zinc/74/20/33/1082742033.db2.gz ZZZXIJINQGKSPP-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001131886438 1082754228 /nfs/dbraw/zinc/75/42/28/1082754228.db2.gz JJWWBXJKDABBQM-FUHWJXTLSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CCOc2ccccc2)C1 ZINC001131895918 1082763334 /nfs/dbraw/zinc/76/33/34/1082763334.db2.gz NHEUZHBJXQNJGD-SJORKVTESA-N 0 3 316.445 3.001 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cncs1)C(C)C ZINC001267307747 1082771950 /nfs/dbraw/zinc/77/19/50/1082771950.db2.gz FMMCXOKQUCARLF-UHFFFAOYSA-N 0 3 309.479 3.072 20 30 DGEDHN CCc1ccccc1CN1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132045337 1082804194 /nfs/dbraw/zinc/80/41/94/1082804194.db2.gz DYEZAFMLBNFEAC-OXJNMPFZSA-N 0 3 324.468 3.132 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@@H]2C)cc1C ZINC001132047277 1082806576 /nfs/dbraw/zinc/80/65/76/1082806576.db2.gz WAYVXKXUBBHVCH-PXNSSMCTSA-N 0 3 324.468 3.186 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC2CCOCC2)CC[C@H]1C ZINC001132082874 1082810617 /nfs/dbraw/zinc/81/06/17/1082810617.db2.gz KCGZDRUXMFWPAL-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCCF)C1 ZINC001132079502 1082811215 /nfs/dbraw/zinc/81/12/15/1082811215.db2.gz ZLMGQDSVBFPKRX-DGCLKSJQSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(F)c2occc21)C1CC1 ZINC001267337565 1082814532 /nfs/dbraw/zinc/81/45/32/1082814532.db2.gz AFROOUHLVPCJGR-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1ccc(Cl)cc1)C1CC1 ZINC001267337074 1082814574 /nfs/dbraw/zinc/81/45/74/1082814574.db2.gz GBXDPRKOZUROQE-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132095447 1082816195 /nfs/dbraw/zinc/81/61/95/1082816195.db2.gz YFJJBMVGRUENHV-CHWSQXEVSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)CC(F)F)CC[C@@H]1C ZINC001132097305 1082816210 /nfs/dbraw/zinc/81/62/10/1082816210.db2.gz HXUUGBGRSCWWPP-STQMWFEESA-N 0 3 302.409 3.213 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(F)cc2)CC[C@H]1C ZINC001132157317 1082828672 /nfs/dbraw/zinc/82/86/72/1082828672.db2.gz NYLOGCQCNJRNBF-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1sccc1F)c1ccccc1 ZINC001267357977 1082830107 /nfs/dbraw/zinc/83/01/07/1082830107.db2.gz VRMMGHJJXRWBJW-AWEZNQCLSA-N 0 3 304.390 3.134 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(C)cc2)CC[C@H]1C ZINC001132169480 1082830184 /nfs/dbraw/zinc/83/01/84/1082830184.db2.gz PDKPTYYBHANGCW-IEBWSBKVSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCF)CCCC1 ZINC001111517989 1082831366 /nfs/dbraw/zinc/83/13/66/1082831366.db2.gz NOUDPBUCRZXOQT-OAGGEKHMSA-N 0 3 308.441 3.204 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001267365291 1082836149 /nfs/dbraw/zinc/83/61/49/1082836149.db2.gz SWXMYAKIOPWEPX-HNNXBMFYSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccnc1C)c1ccccc1 ZINC001267370624 1082840177 /nfs/dbraw/zinc/84/01/77/1082840177.db2.gz RHKCFYOAYAQEBB-SFHVURJKSA-N 0 3 309.413 3.027 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC001267371569 1082841346 /nfs/dbraw/zinc/84/13/46/1082841346.db2.gz ZXQJLWPFUJOFAE-KURKYZTESA-N 0 3 324.424 3.406 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)c2cnco2)CC[C@@H]1C ZINC001132206621 1082843270 /nfs/dbraw/zinc/84/32/70/1082843270.db2.gz MCIYVEFGWHGXAJ-LSDHHAIUSA-N 0 3 307.438 3.228 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132252769 1082854211 /nfs/dbraw/zinc/85/42/11/1082854211.db2.gz KAVFVLDWADBJNS-IAGOWNOFSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccc(C)cc2)CC[C@H]1C ZINC001132278784 1082869115 /nfs/dbraw/zinc/86/91/15/1082869115.db2.gz RATZJNLNZUOEAX-IEBWSBKVSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2ccc(C)c(F)c2)CCC1 ZINC001267425445 1082878195 /nfs/dbraw/zinc/87/81/95/1082878195.db2.gz XSEDMUDDXBKDSG-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CC[C@H](C)N(CCOC)C2)CCCCC1 ZINC001132348392 1082889985 /nfs/dbraw/zinc/88/99/85/1082889985.db2.gz LUIRNLWWMNVLMB-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132384334 1082895149 /nfs/dbraw/zinc/89/51/49/1082895149.db2.gz LZNSGVYCEGQFSL-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2)CC[C@@H]1C ZINC001132444939 1082913329 /nfs/dbraw/zinc/91/33/29/1082913329.db2.gz IQCDPSGYQDDKDN-FUHWJXTLSA-N 0 3 300.446 3.164 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC)CCCCC2)CC[C@H]1C ZINC001132507988 1082929877 /nfs/dbraw/zinc/92/98/77/1082929877.db2.gz AXTXPDKHBJHVLC-IAGOWNOFSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CCOC)CCCC2)CC[C@@H]1C ZINC001132524203 1082934320 /nfs/dbraw/zinc/93/43/20/1082934320.db2.gz FNNGDLOPASZXTE-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CCOC)CCCC2)CC[C@H]1C ZINC001132524206 1082934387 /nfs/dbraw/zinc/93/43/87/1082934387.db2.gz FNNGDLOPASZXTE-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)CCCCC1 ZINC001132528306 1082934979 /nfs/dbraw/zinc/93/49/79/1082934979.db2.gz BKHSEVRZSKSRMJ-IRXDYDNUSA-N 0 3 322.468 3.289 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132574273 1082950163 /nfs/dbraw/zinc/95/01/63/1082950163.db2.gz YQGWUHRKISUDQJ-OLZOCXBDSA-N 0 3 324.852 3.013 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001132653114 1082968272 /nfs/dbraw/zinc/96/82/72/1082968272.db2.gz FPENOTQBNVCJAU-HNNXBMFYSA-N 0 3 316.445 3.036 20 30 DGEDHN C#CCC1(C(=O)NCCCN(CCF)C(C)C)CCCCC1 ZINC001267512782 1082970902 /nfs/dbraw/zinc/97/09/02/1082970902.db2.gz VOOLDFPUVQMGBM-UHFFFAOYSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CCN[C@H](CNC(=O)C(C)(C)F)c1ccc(C(C)C)cc1 ZINC001267512764 1082971419 /nfs/dbraw/zinc/97/14/19/1082971419.db2.gz UWEGQGCXKJWWDW-MRXNPFEDSA-N 0 3 306.425 3.491 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(OC)cc1C)c1ccccc1 ZINC001267518599 1082977962 /nfs/dbraw/zinc/97/79/62/1082977962.db2.gz ANVIQEDCKAXZOD-LJQANCHMSA-N 0 3 324.424 3.250 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001267520078 1082979202 /nfs/dbraw/zinc/97/92/02/1082979202.db2.gz IXIBRYXHZKXYEY-LSDHHAIUSA-N 0 3 308.372 3.055 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H](C)CC3)C(C)(C)[C@@H]21 ZINC001087314683 1082986361 /nfs/dbraw/zinc/98/63/61/1082986361.db2.gz PDDNIDMCIMFPSB-DUQPFJRNSA-N 0 3 316.489 3.051 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNCc2cscn2)C1 ZINC001132865354 1083010398 /nfs/dbraw/zinc/01/03/98/1083010398.db2.gz LJWZKBROKUITKT-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@H](CNCc2cscn2)C1 ZINC001132865355 1083010475 /nfs/dbraw/zinc/01/04/75/1083010475.db2.gz LJWZKBROKUITKT-LSDHHAIUSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(Cc2cncs2)C1 ZINC001267563660 1083044370 /nfs/dbraw/zinc/04/43/70/1083044370.db2.gz CONJEOVTTOAGOP-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN CCCCC(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001267578133 1083084733 /nfs/dbraw/zinc/08/47/33/1083084733.db2.gz HWHPYLNXUOSDNX-LJQANCHMSA-N 0 3 312.457 3.009 20 30 DGEDHN C=C[C@@H](C(=O)NCCN(CC)CC=C(C)C)c1ccccc1 ZINC001481017923 1083086128 /nfs/dbraw/zinc/08/61/28/1083086128.db2.gz BOVCUDXYOFIYBL-GOSISDBHSA-N 0 3 300.446 3.361 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1C ZINC001104559200 1083109132 /nfs/dbraw/zinc/10/91/32/1083109132.db2.gz MYIXUVYZXPHUJC-YUELXQCFSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001133378161 1083109292 /nfs/dbraw/zinc/10/92/92/1083109292.db2.gz BMDBPWOMJRJENB-MRXNPFEDSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(Cl)s1 ZINC001133378422 1083109631 /nfs/dbraw/zinc/10/96/31/1083109631.db2.gz FJFJCLJWNMEDNC-CQSZACIVSA-N 0 3 300.855 3.210 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1cc2ccccc2o1 ZINC001133378754 1083110101 /nfs/dbraw/zinc/11/01/01/1083110101.db2.gz MHFGFQRNVJGMEM-GOSISDBHSA-N 0 3 300.402 3.241 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C1=CCCC1 ZINC001133390950 1083114622 /nfs/dbraw/zinc/11/46/22/1083114622.db2.gz QKCSGZHNKXQOAY-UHFFFAOYSA-N 0 3 316.832 3.002 20 30 DGEDHN C=C1CC(C)(C(=O)NCCNCc2ccccc2OC(C)C)C1 ZINC001133569838 1083152737 /nfs/dbraw/zinc/15/27/37/1083152737.db2.gz FLTXZCSUXYDPPP-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C[C@H]1C ZINC001104656437 1083177049 /nfs/dbraw/zinc/17/70/49/1083177049.db2.gz ARTPMUDTINPZTO-KBEGMRNHSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@]23C[C@H]2CCCC3)C[C@H]1C ZINC001104656435 1083177337 /nfs/dbraw/zinc/17/73/37/1083177337.db2.gz ARTPMUDTINPZTO-GFOCRRMGSA-N 0 3 324.896 3.393 20 30 DGEDHN CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133708864 1083177816 /nfs/dbraw/zinc/17/78/16/1083177816.db2.gz ZSUXIMQPNDNKMA-ZIAGYGMSSA-N 0 3 319.424 3.260 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)CC(C)(C)C)NCc1ccccc1C#N ZINC001133731314 1083185804 /nfs/dbraw/zinc/18/58/04/1083185804.db2.gz NGNYTZIFUUZASY-HUUCEWRRSA-N 0 3 315.461 3.367 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001267611602 1083196942 /nfs/dbraw/zinc/19/69/42/1083196942.db2.gz BWPNYVLPJGXLMN-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1C ZINC001104736187 1083199905 /nfs/dbraw/zinc/19/99/05/1083199905.db2.gz OHLGLINPBOXXEO-YUELXQCFSA-N 0 3 310.869 3.003 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC001133888814 1083207544 /nfs/dbraw/zinc/20/75/44/1083207544.db2.gz NADYVFCKXSLDFM-OLZOCXBDSA-N 0 3 309.841 3.074 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1nc2ccccc2o1 ZINC001133889303 1083208085 /nfs/dbraw/zinc/20/80/85/1083208085.db2.gz UJPYNNCJVQZGEJ-UONOGXRCSA-N 0 3 315.417 3.167 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)CCC1CC1)NCc1ccccc1C#N ZINC001133964374 1083217656 /nfs/dbraw/zinc/21/76/56/1083217656.db2.gz HNZLVVZODJVWJF-HUUCEWRRSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)C1CC1 ZINC001481189689 1083233821 /nfs/dbraw/zinc/23/38/21/1083233821.db2.gz VXNSZACHJZWXDB-RBUKOAKNSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001267631712 1083234787 /nfs/dbraw/zinc/23/47/87/1083234787.db2.gz CBULHDKWURVQIL-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001267633541 1083236413 /nfs/dbraw/zinc/23/64/13/1083236413.db2.gz CJKUUHFYHWKULY-HNNXBMFYSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCN(CCNC(=O)C[C@@H]1CCCc2ccccc21)C1CC1 ZINC001481196161 1083238337 /nfs/dbraw/zinc/23/83/37/1083238337.db2.gz TWQNDZXDFOHJCE-KRWDZBQOSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCOCC)C2)CCCC1 ZINC001267635836 1083238585 /nfs/dbraw/zinc/23/85/85/1083238585.db2.gz KUEAAYDQCWCRSH-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](CN(C)C/C=C\Cl)C2)CCC1 ZINC001267681905 1083261156 /nfs/dbraw/zinc/26/11/56/1083261156.db2.gz BTIMBNOZILUNFB-WSVPDTOYSA-N 0 3 310.869 3.266 20 30 DGEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)s1)CC(C)(C)C ZINC001134258096 1083264701 /nfs/dbraw/zinc/26/47/01/1083264701.db2.gz ATCUNSKWNORHIC-ZDUSSCGKSA-N 0 3 321.490 3.288 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)o1 ZINC001267707167 1083274773 /nfs/dbraw/zinc/27/47/73/1083274773.db2.gz NQGNDHMHNMDACP-IRXDYDNUSA-N 0 3 316.445 3.162 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)C#CC(C)(C)C)NC/C(Cl)=C\Cl ZINC001134329571 1083274947 /nfs/dbraw/zinc/27/49/47/1083274947.db2.gz PHCCFIFAGCJPSV-AJGRILASSA-N 0 3 319.276 3.228 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001267717529 1083280913 /nfs/dbraw/zinc/28/09/13/1083280913.db2.gz YCDVFUAPABWRQR-XIRDDKMYSA-N 0 3 323.440 3.421 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001134428593 1083284754 /nfs/dbraw/zinc/28/47/54/1083284754.db2.gz TYYWACVCFGAXLS-LBPRGKRZSA-N 0 3 310.388 3.334 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001134412032 1083285013 /nfs/dbraw/zinc/28/50/13/1083285013.db2.gz RAJWVCYTBHARAE-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001267727554 1083286333 /nfs/dbraw/zinc/28/63/33/1083286333.db2.gz ILZOOOWKJKNXNB-INIZCTEOSA-N 0 3 311.429 3.071 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001134419017 1083287471 /nfs/dbraw/zinc/28/74/71/1083287471.db2.gz RZXJECSITKMJSG-KGLIPLIRSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC001134475666 1083297950 /nfs/dbraw/zinc/29/79/50/1083297950.db2.gz HHIIGBXLCSCSDD-KGLIPLIRSA-N 0 3 319.449 3.281 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC001134475667 1083297959 /nfs/dbraw/zinc/29/79/59/1083297959.db2.gz HHIIGBXLCSCSDD-UONOGXRCSA-N 0 3 319.449 3.281 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001267754797 1083321290 /nfs/dbraw/zinc/32/12/90/1083321290.db2.gz RISABUCTRLUCJP-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001267776648 1083340281 /nfs/dbraw/zinc/34/02/81/1083340281.db2.gz LYGVURZFSLFFBJ-IAGOWNOFSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccsc2)CCCC1 ZINC001267831409 1083405760 /nfs/dbraw/zinc/40/57/60/1083405760.db2.gz AAVZGUVKVYDSAW-UHFFFAOYSA-N 0 3 312.866 3.062 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2cc(C)ns2)CCCC1 ZINC001267842017 1083428084 /nfs/dbraw/zinc/42/80/84/1083428084.db2.gz GXLVJKJYHBACFD-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C#CC(C)C)CCCC[C@H]1C ZINC001267865980 1083481994 /nfs/dbraw/zinc/48/19/94/1083481994.db2.gz HAYKVVCOSRLSBQ-PBHICJAKSA-N 0 3 310.869 3.053 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001267914181 1083559589 /nfs/dbraw/zinc/55/95/89/1083559589.db2.gz PRLBZGNXCCCSQP-MRXNPFEDSA-N 0 3 306.475 3.412 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc(C)sc2C)cc1 ZINC001267937158 1083599743 /nfs/dbraw/zinc/59/97/43/1083599743.db2.gz RVGJVFAQVVEECZ-UHFFFAOYSA-N 0 3 312.438 3.018 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@]2(C)CCC[C@@H]2CC)cc1 ZINC001267938489 1083605279 /nfs/dbraw/zinc/60/52/79/1083605279.db2.gz YFOPCKRUNPVWAZ-ICSRJNTNSA-N 0 3 312.457 3.242 20 30 DGEDHN C=CCC[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C)C2 ZINC001110312197 1083731349 /nfs/dbraw/zinc/73/13/49/1083731349.db2.gz JLFCOMJWZQHEQW-MYPMTAMASA-N 0 3 319.474 3.141 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151241612 1083737640 /nfs/dbraw/zinc/73/76/40/1083737640.db2.gz ALYCXXNDGNEIHD-IDUWFGFVSA-N 0 3 320.477 3.072 20 30 DGEDHN CCNc1ccccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC001182763438 1083789552 /nfs/dbraw/zinc/78/95/52/1083789552.db2.gz GVWBJVOGGUZKAM-LJQANCHMSA-N 0 3 309.413 3.155 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccccc1F)c1ccccc1 ZINC001481362176 1083819898 /nfs/dbraw/zinc/81/98/98/1083819898.db2.gz OIMASYWMNFQVRI-SFHVURJKSA-N 0 3 312.388 3.463 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc(C)c1F)c1ccccc1 ZINC001481367470 1083827534 /nfs/dbraw/zinc/82/75/34/1083827534.db2.gz SZEFIRAJLXTPHV-QGZVFWFLSA-N 0 3 312.388 3.381 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CCCC1(C)C)c1ccccc1 ZINC001481369530 1083833094 /nfs/dbraw/zinc/83/30/94/1083833094.db2.gz PYKVLDCRNGGCJZ-QZTJIDSGSA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccn2C(C)C)C1 ZINC001481411364 1083883585 /nfs/dbraw/zinc/88/35/85/1083883585.db2.gz CTRMCIMXUDYJOX-KRWDZBQOSA-N 0 3 315.461 3.019 20 30 DGEDHN C[C@H](C(=O)NCC1(NCC#Cc2ccccc2)CCCC1)C1CC1 ZINC001268031403 1083900763 /nfs/dbraw/zinc/90/07/63/1083900763.db2.gz AEMXZTRBAPIMHF-KRWDZBQOSA-N 0 3 324.468 3.103 20 30 DGEDHN CC(C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001268050916 1084030205 /nfs/dbraw/zinc/03/02/05/1084030205.db2.gz OAHZHPDCOGMRGZ-HNNXBMFYSA-N 0 3 320.864 3.174 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183898181 1084054818 /nfs/dbraw/zinc/05/48/18/1084054818.db2.gz KRJIBRLGKRQTKO-HOTGVXAUSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001183917856 1084066989 /nfs/dbraw/zinc/06/69/89/1084066989.db2.gz CERNAJZEGOIHAJ-VSZNYVQBSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CCc2ccccc2)CC1 ZINC001167849455 1084218432 /nfs/dbraw/zinc/21/84/32/1084218432.db2.gz UDMHNXGOHSULDJ-UHFFFAOYSA-N 0 3 320.864 3.248 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cnccc1C ZINC001268147771 1084236973 /nfs/dbraw/zinc/23/69/73/1084236973.db2.gz BIAJFOJFXNHHNN-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C[C@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC001184839327 1084274062 /nfs/dbraw/zinc/27/40/62/1084274062.db2.gz GLQBZVMKDVRRJG-WDEREUQCSA-N 0 3 308.407 3.060 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2ncc(C)s2)C1 ZINC001268171187 1084280545 /nfs/dbraw/zinc/28/05/45/1084280545.db2.gz VDZQIHDYXAICQF-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@@H](C)NCc2ncc(C)s2)C1 ZINC001268171185 1084281116 /nfs/dbraw/zinc/28/11/16/1084281116.db2.gz VDZQIHDYXAICQF-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@H](C)NC/C(Cl)=C/Cl)C1 ZINC001268172041 1084282369 /nfs/dbraw/zinc/28/23/69/1084282369.db2.gz YHWXCWYRDWUBSD-GOPMFQSKSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1cc(C)ns1)C(C)C ZINC001268213436 1084337761 /nfs/dbraw/zinc/33/77/61/1084337761.db2.gz NFRNQYSHPRXZCS-HNNXBMFYSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)c1cccs1)C(C)C ZINC001268219211 1084345831 /nfs/dbraw/zinc/34/58/31/1084345831.db2.gz MKNZGNHFAKFQGM-STQMWFEESA-N 0 3 314.882 3.335 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001268239878 1084388083 /nfs/dbraw/zinc/38/80/83/1084388083.db2.gz UCJFOJPZDIEZSV-WPGJWXSHSA-N 0 3 310.441 3.002 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001268247969 1084405855 /nfs/dbraw/zinc/40/58/55/1084405855.db2.gz XYMFRLSPNOLLBS-IBGZPJMESA-N 0 3 302.462 3.488 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1OC(C)C ZINC001268254788 1084416162 /nfs/dbraw/zinc/41/61/62/1084416162.db2.gz CYYIRZMJMPVYQI-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1csc(C)n1 ZINC001268288355 1084456717 /nfs/dbraw/zinc/45/67/17/1084456717.db2.gz RIWNIQPZVZITKH-ZBFHGGJFSA-N 0 3 321.490 3.182 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCOCC1 ZINC001481666718 1084459363 /nfs/dbraw/zinc/45/93/63/1084459363.db2.gz BMHXZQJUJJORRY-ROUUACIJSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001481704596 1084495592 /nfs/dbraw/zinc/49/55/92/1084495592.db2.gz WZUIXSXCVFDXML-QGZVFWFLSA-N 0 3 300.446 3.206 20 30 DGEDHN C#CCCCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001126343724 1084539407 /nfs/dbraw/zinc/53/94/07/1084539407.db2.gz DSQIUOUXVOPWTK-UHFFFAOYSA-N 0 3 313.228 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2ncccc21 ZINC001268382310 1084546796 /nfs/dbraw/zinc/54/67/96/1084546796.db2.gz BWPPENPUBBAGCP-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001110372394 1084549554 /nfs/dbraw/zinc/54/95/54/1084549554.db2.gz GYSRSLWCPQHNFH-FMKPAKJESA-N 0 3 319.474 3.225 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001185951532 1084552869 /nfs/dbraw/zinc/55/28/69/1084552869.db2.gz QGKKFOARUPVLPS-MRXNPFEDSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001481741568 1084559374 /nfs/dbraw/zinc/55/93/74/1084559374.db2.gz NXAZWQMYLNSZRI-IRXDYDNUSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC001268424320 1084589323 /nfs/dbraw/zinc/58/93/23/1084589323.db2.gz IUKASXXEFZDGDB-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001481779597 1084629997 /nfs/dbraw/zinc/62/99/97/1084629997.db2.gz TYXMQYKTHGYXTC-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)NCC#Cc1ccccc1Cl ZINC001481793431 1084636492 /nfs/dbraw/zinc/63/64/92/1084636492.db2.gz BBLFTKADYATPKI-INIZCTEOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1(CNCc2cnoc2C)CCCC1 ZINC001481897826 1084693694 /nfs/dbraw/zinc/69/36/94/1084693694.db2.gz DVOXVBKYAVVVIZ-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCCCC(=O)N[C@](C)(CNCc1ccccc1F)C1CC1 ZINC001481926487 1084711693 /nfs/dbraw/zinc/71/16/93/1084711693.db2.gz IFOYADAVASJGOW-LJQANCHMSA-N 0 3 316.420 3.004 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@@H]23)cc1F ZINC001186873102 1084712148 /nfs/dbraw/zinc/71/21/48/1084712148.db2.gz STYCKIQUYUQJQE-ZFWWWQNUSA-N 0 3 318.352 3.034 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3sccc3C#N)cc2)CC1 ZINC001204724197 1084716811 /nfs/dbraw/zinc/71/68/11/1084716811.db2.gz BYXDHHCIWITGPJ-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN C=C(C)CCC(=O)NCCC1CCN(Cc2cccnc2)CC1 ZINC001482044128 1084795585 /nfs/dbraw/zinc/79/55/85/1084795585.db2.gz SXHLBBZFYVGSLX-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CC#CCCCC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001482069745 1084823668 /nfs/dbraw/zinc/82/36/68/1084823668.db2.gz AGLUDLWAWHYSST-WDZFZDKYSA-N 0 3 322.880 3.247 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H](C)C1CCCC1 ZINC001268669093 1084931606 /nfs/dbraw/zinc/93/16/06/1084931606.db2.gz LEUAKFDAPSAWDG-OLZOCXBDSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2(CC)CCCC2)CC1 ZINC001161610456 1084934913 /nfs/dbraw/zinc/93/49/13/1084934913.db2.gz IFJVINOGUVZZQE-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001268729071 1084995061 /nfs/dbraw/zinc/99/50/61/1084995061.db2.gz BYZDFABDONVGGX-UONOGXRCSA-N 0 3 322.399 3.122 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)CCc1scnc1C ZINC001268732112 1084997401 /nfs/dbraw/zinc/99/74/01/1084997401.db2.gz FSFWRGZBGKMGOX-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN CC(C)c1ccc([C@@H](C)N2CC(CNC(=O)C#CC3CC3)C2)cc1 ZINC001268826327 1085064174 /nfs/dbraw/zinc/06/41/74/1085064174.db2.gz XVRHNCQDBSTLFC-MRXNPFEDSA-N 0 3 324.468 3.332 20 30 DGEDHN C=CCCCC(=O)NCC1CN(CC[C@@H]2CCCC2(F)F)C1 ZINC001268867965 1085071740 /nfs/dbraw/zinc/07/17/40/1085071740.db2.gz XWJNNCJISBMSOY-HNNXBMFYSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccc1 ZINC001268934835 1085084351 /nfs/dbraw/zinc/08/43/51/1085084351.db2.gz LNXBTDNVFHTJLF-BZSNNMDCSA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2ccccc21 ZINC001268987685 1085095011 /nfs/dbraw/zinc/09/50/11/1085095011.db2.gz CRQHACZEJUVCEZ-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1ccccc1Cl ZINC001269337406 1085314772 /nfs/dbraw/zinc/31/47/72/1085314772.db2.gz JIBJHXJUYVKSJE-HNNXBMFYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001269337906 1085315034 /nfs/dbraw/zinc/31/50/34/1085315034.db2.gz NGFOVGQVQPDVDG-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN CCCc1ccc(CNC2(CNC(=O)C#CC(C)C)CC2)cc1 ZINC001269407756 1085372176 /nfs/dbraw/zinc/37/21/76/1085372176.db2.gz QOGSFDKVAWFCFY-UHFFFAOYSA-N 0 3 312.457 3.037 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)NCc1ccc(C#N)s1 ZINC001269424357 1085379456 /nfs/dbraw/zinc/37/94/56/1085379456.db2.gz FEKHNRCJABDJPX-CHWSQXEVSA-N 0 3 321.490 3.286 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2c(C)coc2C)CCCC1 ZINC001482218556 1085390817 /nfs/dbraw/zinc/39/08/17/1085390817.db2.gz SKFDZOYUJKLGIM-UHFFFAOYSA-N 0 3 310.825 3.281 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001482230654 1085460873 /nfs/dbraw/zinc/46/08/73/1085460873.db2.gz WUHUOROWBSWJTH-SFHVURJKSA-N 0 3 315.461 3.203 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](CC)CCCC)CC2 ZINC001482240768 1085562729 /nfs/dbraw/zinc/56/27/29/1085562729.db2.gz WMWGWIFFEFUHEC-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C1CCN(C[C@@H](F)CC)CC1 ZINC001284711610 1085617679 /nfs/dbraw/zinc/61/76/79/1085617679.db2.gz AAUQVJTYFIUCMI-RDJZCZTQSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCC1(C(=O)NCCC2CCN(CCF)CC2)CCCC1 ZINC001270158763 1085715490 /nfs/dbraw/zinc/71/54/90/1085715490.db2.gz ZGOFRIPTEOOGQR-UHFFFAOYSA-N 0 3 310.457 3.311 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001270249849 1085748623 /nfs/dbraw/zinc/74/86/23/1085748623.db2.gz YFHTWXAAHUKZIY-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(C(=O)[C@@H](CCC)C(C)C)C1CCN(CC=C)CC1 ZINC001270346017 1085779112 /nfs/dbraw/zinc/77/91/12/1085779112.db2.gz WQESEDXWECLSTM-SFHVURJKSA-N 0 3 304.478 3.171 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482287129 1085803452 /nfs/dbraw/zinc/80/34/52/1085803452.db2.gz YCUIIIIGBDQUPM-SFHVURJKSA-N 0 3 324.468 3.243 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@H](OC)C1 ZINC001211848122 1085835650 /nfs/dbraw/zinc/83/56/50/1085835650.db2.gz YAGLLPHVAAKVKA-KZNAEPCWSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNCc1nc(C)c(C)s1 ZINC001270509409 1085839226 /nfs/dbraw/zinc/83/92/26/1085839226.db2.gz XUYVHGOCKXVYRO-SJKOYZFVSA-N 0 3 323.506 3.204 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CCC)C(C)C)C2 ZINC001270514175 1085840331 /nfs/dbraw/zinc/84/03/31/1085840331.db2.gz WEABEPNRWKDMGU-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2cc(C)sc2C)C1 ZINC001270558985 1085858991 /nfs/dbraw/zinc/85/89/91/1085858991.db2.gz UDISZVXGKCEVIO-QGZVFWFLSA-N 0 3 306.475 3.412 20 30 DGEDHN CC(C)C#CC(=O)N[C@@]1(C)CCN(Cc2ccccc2C2CC2)C1 ZINC001270582271 1085873149 /nfs/dbraw/zinc/87/31/49/1085873149.db2.gz FECWBGQDYDICPF-NRFANRHFSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2ccccc2F)C1 ZINC001482328662 1086015529 /nfs/dbraw/zinc/01/55/29/1086015529.db2.gz CYHFLBJADOFNQM-AWEZNQCLSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(F)CCCCC2)CCCC1 ZINC001270813026 1086019605 /nfs/dbraw/zinc/01/96/05/1086019605.db2.gz QENVROPKSHXSEU-UHFFFAOYSA-N 0 3 316.848 3.430 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)CC(C)(C)C)CC2 ZINC001270869900 1086099185 /nfs/dbraw/zinc/09/91/85/1086099185.db2.gz GZAUJAUEHYUMMC-UHFFFAOYSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H](C)C1 ZINC001482426551 1086156451 /nfs/dbraw/zinc/15/64/51/1086156451.db2.gz HBHYAYNTSPJWPL-LXSPXAAKSA-N 0 3 319.276 3.344 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001270948087 1086209454 /nfs/dbraw/zinc/20/94/54/1086209454.db2.gz OVIWXJOMQCUAOK-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001271006878 1086245415 /nfs/dbraw/zinc/24/54/15/1086245415.db2.gz COPUSAIBSHHGSI-IBGZPJMESA-N 0 3 317.477 3.231 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1CCC1(F)F ZINC001482453445 1086275543 /nfs/dbraw/zinc/27/55/43/1086275543.db2.gz QDNQMBXZOCXTBF-OLZOCXBDSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@H]1CC ZINC001087754397 1086396724 /nfs/dbraw/zinc/39/67/24/1086396724.db2.gz DIPPSGUHEZGSLN-LSDHHAIUSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)[C@H]1CC ZINC001087762888 1086401254 /nfs/dbraw/zinc/40/12/54/1086401254.db2.gz SLYQWRFMOSWYTP-LSDHHAIUSA-N 0 3 308.372 3.393 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001271153989 1086424228 /nfs/dbraw/zinc/42/42/28/1086424228.db2.gz BBAUVEKHSIUDCK-KGLIPLIRSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H]1CC ZINC001087817444 1086424839 /nfs/dbraw/zinc/42/48/39/1086424839.db2.gz PZCISZYDPSXKIL-LSDHHAIUSA-N 0 3 310.800 3.248 20 30 DGEDHN CCCC[C@@H](CC)CN1CCC12CN(C(=O)CCCC#N)C2 ZINC001271252983 1086557369 /nfs/dbraw/zinc/55/73/69/1086557369.db2.gz UTGPXELUAIHSKB-MRXNPFEDSA-N 0 3 305.466 3.183 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cccnc1)CC(C)C ZINC001271285496 1086564104 /nfs/dbraw/zinc/56/41/04/1086564104.db2.gz GOESYEPZSQZXLL-KRWDZBQOSA-N 0 3 317.477 3.304 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1scnc1C)CC(C)C ZINC001271286890 1086564723 /nfs/dbraw/zinc/56/47/23/1086564723.db2.gz XMEDIBKYRUXAJT-CQSZACIVSA-N 0 3 323.506 3.284 20 30 DGEDHN C=CCN[C@H](CNC(=O)/C=C\c1ccco1)c1ccccc1CC ZINC001271439350 1086629384 /nfs/dbraw/zinc/62/93/84/1086629384.db2.gz RSWHPXXEAALEES-YAINUAMHSA-N 0 3 324.424 3.488 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@H](C)NCc2nc(C)cs2)C1 ZINC001271625421 1086692003 /nfs/dbraw/zinc/69/20/03/1086692003.db2.gz HHDSZQMZEWBWSL-LSDHHAIUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C=C\c2ccco2)C1 ZINC001088254753 1086725618 /nfs/dbraw/zinc/72/56/18/1086725618.db2.gz WUUCDVKBRZZZMU-CDNLZTBQSA-N 0 3 322.836 3.406 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccsc2)C1 ZINC001088257037 1086726738 /nfs/dbraw/zinc/72/67/38/1086726738.db2.gz FFGGVTUKMABNLP-AWEZNQCLSA-N 0 3 312.866 3.475 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001088269989 1086746997 /nfs/dbraw/zinc/74/69/97/1086746997.db2.gz XXFSCBNDWJSWFL-DDKJEQMHSA-N 0 3 310.869 3.456 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)CC(C)(C)C ZINC001271798804 1086770877 /nfs/dbraw/zinc/77/08/77/1086770877.db2.gz YTROUDZNCVJIQQ-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN CC(C)[C@H](CNC(=O)C#CC(C)(C)C)NCc1ccccc1F ZINC001271840503 1086789577 /nfs/dbraw/zinc/78/95/77/1086789577.db2.gz ZMCDKCLHQGDRTD-KRWDZBQOSA-N 0 3 318.436 3.106 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCCC1(F)F)C(C)C ZINC001271877670 1086803238 /nfs/dbraw/zinc/80/32/38/1086803238.db2.gz KSNVMCYRQIPHKY-OLZOCXBDSA-N 0 3 322.827 3.295 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCc2cncs2)C1 ZINC001088360349 1086859653 /nfs/dbraw/zinc/85/96/53/1086859653.db2.gz WTADLQUTEGJZTQ-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001088388978 1086901625 /nfs/dbraw/zinc/90/16/25/1086901625.db2.gz HIGWNUMNPFNGSX-OAHLLOKOSA-N 0 3 323.868 3.358 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001271998345 1086911726 /nfs/dbraw/zinc/91/17/26/1086911726.db2.gz OIWXEWLTKAYZFG-UHFFFAOYSA-N 0 3 300.446 3.079 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(C)c1ccccc1)C(C)C ZINC001482569423 1086947053 /nfs/dbraw/zinc/94/70/53/1086947053.db2.gz ZHQNBXQKXRGBCP-MRXNPFEDSA-N 0 3 322.880 3.447 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCCCC(C)C ZINC001272046248 1087027118 /nfs/dbraw/zinc/02/71/18/1087027118.db2.gz XSPQNKLHRVFVJV-MSOLQXFVSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CC1(CC(=O)NCCCNCc2ocnc2C)CCCCC1 ZINC001168182361 1087028197 /nfs/dbraw/zinc/02/81/97/1087028197.db2.gz CUEQRLRDABZNTE-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCc2c1cccc2Cl ZINC001272067380 1087054508 /nfs/dbraw/zinc/05/45/08/1087054508.db2.gz HCGIPXSAPQPHCN-INIZCTEOSA-N 0 3 320.864 3.336 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCOc1cc(C)ccc1C ZINC001482646477 1087101888 /nfs/dbraw/zinc/10/18/88/1087101888.db2.gz GUXUWHHVAWGYJB-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)[C@H]1C ZINC001088590676 1087117452 /nfs/dbraw/zinc/11/74/52/1087117452.db2.gz PEWCROVNGZCASK-QAPCUYQASA-N 0 3 323.440 3.312 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNCc1cscn1 ZINC001482678875 1087136167 /nfs/dbraw/zinc/13/61/67/1087136167.db2.gz MQCOXNLEEMGZTK-DZGCQCFKSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC001482838323 1087168428 /nfs/dbraw/zinc/16/84/28/1087168428.db2.gz ASEWAJSTGHEWCT-CNSOWSRNSA-N 0 3 324.896 3.296 20 30 DGEDHN C#CCCCC(=O)N(CC)CCNCc1c(C)cccc1Cl ZINC001482922059 1087189123 /nfs/dbraw/zinc/18/91/23/1087189123.db2.gz WPBBMVANORFCBY-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000093690561 1087191651 /nfs/dbraw/zinc/19/16/51/1087191651.db2.gz DSXNOUGLAGGPHW-LJQANCHMSA-N 0 3 310.397 3.300 20 30 DGEDHN C=CCCC(=O)NC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC001482989121 1087221875 /nfs/dbraw/zinc/22/18/75/1087221875.db2.gz SRNXDMGPDSEMMA-LAQIPUCWSA-N 0 3 302.393 3.041 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001272184649 1087235263 /nfs/dbraw/zinc/23/52/63/1087235263.db2.gz CFBHSNAGOWEMRR-UHFFFAOYSA-N 0 3 318.804 3.113 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)[C@H]1C ZINC001088680835 1087253109 /nfs/dbraw/zinc/25/31/09/1087253109.db2.gz DFASJKOKFJIEEV-JVDULTGUSA-N 0 3 312.457 3.335 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)[C@H]1C ZINC001088713830 1087313233 /nfs/dbraw/zinc/31/32/33/1087313233.db2.gz LNTGEDSVZKNRKZ-APWZRJJASA-N 0 3 323.440 3.246 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1C ZINC001088833949 1087410594 /nfs/dbraw/zinc/41/05/94/1087410594.db2.gz RCXQKODPBDODGX-CPUCHLNUSA-N 0 3 318.848 3.046 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)CCC1CCCC1 ZINC001483205352 1087418124 /nfs/dbraw/zinc/41/81/24/1087418124.db2.gz JIRGSVVRTHUEQB-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN CN(CCCNCc1ccc(C#N)cc1F)C(=O)CC(C)(C)C ZINC001483451399 1087507450 /nfs/dbraw/zinc/50/74/50/1087507450.db2.gz FLCLXXREQYNNKB-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCc1ccncc1Cl ZINC001483489829 1087514263 /nfs/dbraw/zinc/51/42/63/1087514263.db2.gz NQGDDHHXKIWMQC-KRWDZBQOSA-N 0 3 323.868 3.275 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001483495303 1087515343 /nfs/dbraw/zinc/51/53/43/1087515343.db2.gz WAMDRLCCJZLRMA-HUUCEWRRSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC001483509720 1087518742 /nfs/dbraw/zinc/51/87/42/1087518742.db2.gz UFXPGFJFIJHETN-CQSZACIVSA-N 0 3 308.853 3.056 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001483562859 1087526051 /nfs/dbraw/zinc/52/60/51/1087526051.db2.gz MAJQOFXHIJMZKZ-QGZVFWFLSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCSCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000696058386 1087561329 /nfs/dbraw/zinc/56/13/29/1087561329.db2.gz JLIXJSMVOQCPLC-UHFFFAOYSA-N 0 3 301.839 3.453 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)[C@H]1C ZINC001088853925 1087581215 /nfs/dbraw/zinc/58/12/15/1087581215.db2.gz WWTRXBAIKUMUCE-PBHICJAKSA-N 0 3 318.436 3.258 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)[C@H]1C ZINC001088908888 1087602223 /nfs/dbraw/zinc/60/22/23/1087602223.db2.gz YEPWPHFWDLAJAB-WBVHZDCISA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@H]1C ZINC001088915889 1087604243 /nfs/dbraw/zinc/60/42/43/1087604243.db2.gz YOISKPJQIHWPRX-BEFAXECRSA-N 0 3 310.441 3.415 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)[C@H]1C ZINC001088923958 1087605322 /nfs/dbraw/zinc/60/53/22/1087605322.db2.gz AMIYQIULNPZYLW-RKVPGOIHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccccc2F)[C@H]1C ZINC001088928435 1087605763 /nfs/dbraw/zinc/60/57/63/1087605763.db2.gz KZEMBRPQNBCZMY-CPUCHLNUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)[C@H]1C ZINC001088951967 1087608624 /nfs/dbraw/zinc/60/86/24/1087608624.db2.gz QULKFKDLAFGDHG-CJNGLKHVSA-N 0 3 304.434 3.480 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979749 1087614093 /nfs/dbraw/zinc/61/40/93/1087614093.db2.gz CZWCQWREAZIYLW-KFWWJZLASA-N 0 3 306.475 3.315 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001483670259 1087622090 /nfs/dbraw/zinc/62/20/90/1087622090.db2.gz MHHUEYFYGJMARA-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H]1C ZINC001089021079 1087622630 /nfs/dbraw/zinc/62/26/30/1087622630.db2.gz TWEKSVCJYUMVQI-BEFAXECRSA-N 0 3 312.457 3.334 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099085869 1087625120 /nfs/dbraw/zinc/62/51/20/1087625120.db2.gz VZLBAFROQHBQST-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)[C@H]1C ZINC001089064272 1087629713 /nfs/dbraw/zinc/62/97/13/1087629713.db2.gz RRVJBFNMBFTODF-BEFAXECRSA-N 0 3 312.457 3.252 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001483680104 1087641251 /nfs/dbraw/zinc/64/12/51/1087641251.db2.gz VRTYLLSONNCIDO-IRXDYDNUSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001483687393 1087653548 /nfs/dbraw/zinc/65/35/48/1087653548.db2.gz HBXVPWHGTCCEKJ-YJBOKZPZSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001483687391 1087653978 /nfs/dbraw/zinc/65/39/78/1087653978.db2.gz HBXVPWHGTCCEKJ-MAUKXSAKSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Cl)cc1C ZINC001272423716 1087698574 /nfs/dbraw/zinc/69/85/74/1087698574.db2.gz JLKXRBHGRIEKLD-IAGOWNOFSA-N 0 3 318.848 3.400 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Cl)c(C)c1 ZINC001272432435 1087702220 /nfs/dbraw/zinc/70/22/20/1087702220.db2.gz QAKSSDHKQHXJIY-IAGOWNOFSA-N 0 3 318.848 3.400 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001272456290 1087711617 /nfs/dbraw/zinc/71/16/17/1087711617.db2.gz DHFNYTDKXKRRLA-CHWSQXEVSA-N 0 3 320.811 3.003 20 30 DGEDHN CCCCCCCN1CCC[C@@]12CCN([C@@H](C)C(C)=O)C2=O ZINC001272476364 1087719138 /nfs/dbraw/zinc/71/91/38/1087719138.db2.gz LSSGGISGWLFPFV-YJBOKZPZSA-N 0 3 308.466 3.001 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2ccsc2[nH]1 ZINC001158295924 1087764219 /nfs/dbraw/zinc/76/42/19/1087764219.db2.gz FTWDFXPXHMIALL-CQSZACIVSA-N 0 3 317.458 3.342 20 30 DGEDHN CCCCCCCC[C@@H](C)C(=O)NCCNCc1ccnn1C ZINC001151848108 1087795450 /nfs/dbraw/zinc/79/54/50/1087795450.db2.gz FQCQINSTDAOKDW-MRXNPFEDSA-N 0 3 322.497 3.013 20 30 DGEDHN CCCCCC(C)(C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001151864481 1087800784 /nfs/dbraw/zinc/80/07/84/1087800784.db2.gz ULSGIKQDHHEMMI-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C[C@@H](NCCNC(=O)CC#Cc1ccccc1)c1cccc(F)c1 ZINC001151958656 1087843769 /nfs/dbraw/zinc/84/37/69/1087843769.db2.gz MUIRDCLGMMCMRR-MRXNPFEDSA-N 0 3 324.399 3.034 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2[nH]ccc21 ZINC001158518208 1087884218 /nfs/dbraw/zinc/88/42/18/1087884218.db2.gz DIPLPIUKOZFOIK-OAHLLOKOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](F)c1ccccc1 ZINC001158529444 1087894559 /nfs/dbraw/zinc/89/45/59/1087894559.db2.gz MKJKWHNPAGPJPJ-IAGOWNOFSA-N 0 3 304.409 3.196 20 30 DGEDHN CCCC[C@@H](C(=O)NCCNCc1cccc(C#N)c1)C(C)C ZINC001152653219 1088035756 /nfs/dbraw/zinc/03/57/56/1088035756.db2.gz TXWALJMXOHAPPP-GOSISDBHSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC001158836822 1088060952 /nfs/dbraw/zinc/06/09/52/1088060952.db2.gz FGSPAVBKAWCGHC-MRXNPFEDSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)ccc1C ZINC001272616447 1088320054 /nfs/dbraw/zinc/32/00/54/1088320054.db2.gz JYQYQGHVARRHCO-IBGZPJMESA-N 0 3 316.420 3.277 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](CC)CCCC)CC1 ZINC001159407566 1088337110 /nfs/dbraw/zinc/33/71/10/1088337110.db2.gz UCSDEKRGTJUXOL-SFHVURJKSA-N 0 3 304.478 3.365 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCNC/C=C/Cl)c1ccccc1 ZINC001153825241 1088373458 /nfs/dbraw/zinc/37/34/58/1088373458.db2.gz ZUPZMPYLTBVLJH-AYAUWGRQSA-N 0 3 306.837 3.195 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C/c1cccc(F)c1 ZINC001153872330 1088393450 /nfs/dbraw/zinc/39/34/50/1088393450.db2.gz XXIQURRLXQPMQQ-XAVKZTDYSA-N 0 3 316.420 3.079 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C/Cc1ccccc1 ZINC001153883639 1088396736 /nfs/dbraw/zinc/39/67/36/1088396736.db2.gz VBVYOOPWUATLLY-DOJUMQAQSA-N 0 3 312.457 3.025 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(Cl)c1C#N ZINC001159592239 1088406940 /nfs/dbraw/zinc/40/69/40/1088406940.db2.gz NVECKCSDEDGFHA-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN Cc1cc(C#N)cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001159597589 1088409551 /nfs/dbraw/zinc/40/95/51/1088409551.db2.gz KVJOTFSCCCFEAZ-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001099304109 1088513680 /nfs/dbraw/zinc/51/36/80/1088513680.db2.gz MXVPAMVAQBHPSD-MRXNPFEDSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001099304108 1088513768 /nfs/dbraw/zinc/51/37/68/1088513768.db2.gz MXVPAMVAQBHPSD-INIZCTEOSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001483758108 1088530821 /nfs/dbraw/zinc/53/08/21/1088530821.db2.gz AKDQMUYXGHULEW-UHFFFAOYSA-N 0 3 304.409 3.085 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001483760570 1088556236 /nfs/dbraw/zinc/55/62/36/1088556236.db2.gz QURAXJXGTYQKRI-HNNXBMFYSA-N 0 3 318.436 3.475 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CC)s2)CC(C)(C)C1 ZINC001089434716 1088600134 /nfs/dbraw/zinc/60/01/34/1088600134.db2.gz WFFHIGUBPSNFBG-AWEZNQCLSA-N 0 3 318.486 3.164 20 30 DGEDHN N=C(Nc1nccc2[nH]ccc21)c1ccc2cc(O)ccc2c1 ZINC001160018838 1088604998 /nfs/dbraw/zinc/60/49/98/1088604998.db2.gz IKLDVDHBLDJYMG-UHFFFAOYSA-N 0 3 302.337 3.459 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC001160120447 1088648699 /nfs/dbraw/zinc/64/86/99/1088648699.db2.gz NIEZAOSMNIMUIL-GDBMZVCRSA-N 0 3 314.429 3.341 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001154719452 1088729746 /nfs/dbraw/zinc/72/97/46/1088729746.db2.gz CUELIKHJSGBWKY-MRXNPFEDSA-N 0 3 318.436 3.346 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)CC(C)(C)C1 ZINC001089548956 1088734344 /nfs/dbraw/zinc/73/43/44/1088734344.db2.gz RBXXWQPOHPZUTB-GOSISDBHSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC(C)(C)C1 ZINC001089566673 1088753856 /nfs/dbraw/zinc/75/38/56/1088753856.db2.gz QIOMBBMDNRDNRE-HNNXBMFYSA-N 0 3 318.505 3.299 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1C ZINC001089604104 1088807401 /nfs/dbraw/zinc/80/74/01/1088807401.db2.gz XHBOLYCYHMOSIT-HNNXBMFYSA-N 0 3 304.434 3.385 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001160467918 1088823173 /nfs/dbraw/zinc/82/31/73/1088823173.db2.gz ZOBXHBBPGVLSRD-SFHVURJKSA-N 0 3 302.462 3.447 20 30 DGEDHN C#Cc1ccc(C(=O)NCc2ccccc2CN(C)CC=C)cc1 ZINC001272675975 1088830696 /nfs/dbraw/zinc/83/06/96/1088830696.db2.gz WOMRZCDVEWFCHK-UHFFFAOYSA-N 0 3 318.420 3.216 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001089625072 1088843442 /nfs/dbraw/zinc/84/34/42/1088843442.db2.gz JOUKWMNXNSVUQY-MRXNPFEDSA-N 0 3 319.424 3.017 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(C)c1 ZINC001089631679 1088853579 /nfs/dbraw/zinc/85/35/79/1088853579.db2.gz OIAWTXNWILMWCY-INIZCTEOSA-N 0 3 304.434 3.385 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(Cl)cc2F)CC1 ZINC001160622863 1088896694 /nfs/dbraw/zinc/89/66/94/1088896694.db2.gz GTRTXOZLYSXWKO-UHFFFAOYSA-N 0 3 322.811 3.417 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC(C)C)CCC1 ZINC001483810432 1088913887 /nfs/dbraw/zinc/91/38/87/1088913887.db2.gz VRWNRJOWYRHBPU-MSOLQXFVSA-N 0 3 316.489 3.291 20 30 DGEDHN CC(=O)NCCN(Cc1ccc(C#N)s1)C1CCCCCC1 ZINC001483812208 1088916125 /nfs/dbraw/zinc/91/61/25/1088916125.db2.gz FPFFTKXXAGDFLU-UHFFFAOYSA-N 0 3 319.474 3.281 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001160690040 1088920670 /nfs/dbraw/zinc/92/06/70/1088920670.db2.gz XAISOYKBOTYDGS-QGZVFWFLSA-N 0 3 302.462 3.279 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCC ZINC001483826813 1088930018 /nfs/dbraw/zinc/93/00/18/1088930018.db2.gz XGNKQPTWTFCKNK-HDICACEKSA-N 0 3 304.478 3.436 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001155160595 1088980711 /nfs/dbraw/zinc/98/07/11/1088980711.db2.gz JREYBDMWBMMJJD-JKSUJKDBSA-N 0 3 318.436 3.169 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1c(C)nsc1C ZINC001483943090 1089024731 /nfs/dbraw/zinc/02/47/31/1089024731.db2.gz SWDKYQMFKVWFLY-OAHLLOKOSA-N 0 3 321.490 3.197 20 30 DGEDHN CC(C)c1ccc(C#N)c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001155247973 1089025567 /nfs/dbraw/zinc/02/55/67/1089025567.db2.gz ONTOISGPGYMXCR-GFCCVEGCSA-N 0 3 305.385 3.435 20 30 DGEDHN CC(C)c1ccc(C#N)c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001155247974 1089026085 /nfs/dbraw/zinc/02/60/85/1089026085.db2.gz ONTOISGPGYMXCR-LBPRGKRZSA-N 0 3 305.385 3.435 20 30 DGEDHN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001483945029 1089026399 /nfs/dbraw/zinc/02/63/99/1089026399.db2.gz MJYOGHPGAWQDGL-HSALFYBXSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ccnc(Cc2ccccc2)n1 ZINC001160957564 1089041206 /nfs/dbraw/zinc/04/12/06/1089041206.db2.gz NLGZLRPRGNDUBE-KRWDZBQOSA-N 0 3 308.429 3.130 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001483977262 1089064710 /nfs/dbraw/zinc/06/47/10/1089064710.db2.gz WXBWOZLSFOFZQD-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]1CCC)C1CCN(CC=C)CC1 ZINC001483984099 1089069668 /nfs/dbraw/zinc/06/96/68/1089069668.db2.gz SGIOORXTASCPAE-IEBWSBKVSA-N 0 3 316.489 3.315 20 30 DGEDHN N#Cc1ccccc1CNCCCNC(=O)C=C1CCCCC1 ZINC001155335516 1089072157 /nfs/dbraw/zinc/07/21/57/1089072157.db2.gz JEJULJAUTCBCDL-UHFFFAOYSA-N 0 3 311.429 3.045 20 30 DGEDHN C=CCCCCCN1CC[C@@](C)(NC(=O)c2cncs2)C1 ZINC001484031521 1089109612 /nfs/dbraw/zinc/10/96/12/1089109612.db2.gz FDKVHDFAKGWEAI-MRXNPFEDSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC001484035606 1089117468 /nfs/dbraw/zinc/11/74/68/1089117468.db2.gz WLDGVGWGLQFQBY-OCCSQVGLSA-N 0 3 319.276 3.117 20 30 DGEDHN Cc1ccc(CN2CC[C@@](C)(NC(=O)C#CC(C)C)C2)c(C)c1 ZINC001484044067 1089123880 /nfs/dbraw/zinc/12/38/80/1089123880.db2.gz CVPQJBLPIHBKKH-HXUWFJFHSA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCCCC(=O)N[C@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001484040411 1089127802 /nfs/dbraw/zinc/12/78/02/1089127802.db2.gz IBAIAZTXQFNTIN-NZIDHHNMSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001484042321 1089129296 /nfs/dbraw/zinc/12/92/96/1089129296.db2.gz PUYGYXXKIIOJLI-FQEVSTJZSA-N 0 3 324.424 3.317 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001484050852 1089133501 /nfs/dbraw/zinc/13/35/01/1089133501.db2.gz KZPXFDLIFSNDPY-OUNSHVDWSA-N 0 3 312.457 3.337 20 30 DGEDHN N#Cc1c(Cl)cc(Cl)nc1N[C@H]1CCN(C2CCC2)C1 ZINC001161182545 1089143462 /nfs/dbraw/zinc/14/34/62/1089143462.db2.gz HXVDHIRPEHRUTF-VIFPVBQESA-N 0 3 311.216 3.299 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001089687713 1089169787 /nfs/dbraw/zinc/16/97/87/1089169787.db2.gz NOXFJEBRIGYBIQ-HNNXBMFYSA-N 0 3 315.461 3.299 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(Cl)c(F)c2)CC1 ZINC001161335698 1089197334 /nfs/dbraw/zinc/19/73/34/1089197334.db2.gz GMRSEACUAMPCPS-UHFFFAOYSA-N 0 3 322.811 3.417 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001161343713 1089203670 /nfs/dbraw/zinc/20/36/70/1089203670.db2.gz QCIWXWYOBPEHNS-SFHVURJKSA-N 0 3 324.468 3.260 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001161444737 1089248315 /nfs/dbraw/zinc/24/83/15/1089248315.db2.gz JFRRKZICUNLXCA-IRXDYDNUSA-N 0 3 318.505 3.466 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2sc(C)cc2C)C1 ZINC001484161411 1089250812 /nfs/dbraw/zinc/25/08/12/1089250812.db2.gz QGCOBQWMEWESCF-GOSISDBHSA-N 0 3 318.486 3.220 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001155851360 1089270983 /nfs/dbraw/zinc/27/09/83/1089270983.db2.gz YWEKPWITHONYBE-SJORKVTESA-N 0 3 314.473 3.202 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1nccs1 ZINC001089716913 1089292179 /nfs/dbraw/zinc/29/21/79/1089292179.db2.gz SDOXFLGFTGKNQA-CQSZACIVSA-N 0 3 321.490 3.330 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1CC ZINC001484322773 1089332340 /nfs/dbraw/zinc/33/23/40/1089332340.db2.gz HUTYNLJKIISGKA-LPHOPBHVSA-N 0 3 314.473 3.311 20 30 DGEDHN C=CC(C)(C)CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001161683575 1089343254 /nfs/dbraw/zinc/34/32/54/1089343254.db2.gz IJYSQXTXCYZIMZ-KRWDZBQOSA-N 0 3 318.461 3.453 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccoc2CCC)CC1 ZINC001161699282 1089354454 /nfs/dbraw/zinc/35/44/54/1089354454.db2.gz QWTUFVIVVCJJGF-UHFFFAOYSA-N 0 3 314.429 3.007 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(CC)CC ZINC001089774262 1089376681 /nfs/dbraw/zinc/37/66/81/1089376681.db2.gz WTPMKOCZKPOHEM-HZMVEIRTSA-N 0 3 324.896 3.344 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(C(C)C)c1 ZINC001156182679 1089423502 /nfs/dbraw/zinc/42/35/02/1089423502.db2.gz AKNXNVGAKVVUOO-MRXNPFEDSA-N 0 3 300.446 3.274 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1cc(C)cc(C)c1 ZINC001156203802 1089432299 /nfs/dbraw/zinc/43/22/99/1089432299.db2.gz HRGPTHDORNHLLN-GOSISDBHSA-N 0 3 314.473 3.086 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C(C)(C)c2ccccc2)CC1 ZINC001161839121 1089432395 /nfs/dbraw/zinc/43/23/95/1089432395.db2.gz APUILSJAIBFEPF-UHFFFAOYSA-N 0 3 324.468 3.126 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC001484503303 1089445171 /nfs/dbraw/zinc/44/51/71/1089445171.db2.gz JBMIXZISGGABRI-ZDUSSCGKSA-N 0 3 310.800 3.020 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001484507646 1089447894 /nfs/dbraw/zinc/44/78/94/1089447894.db2.gz GCLZZQLKUIHONP-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CCNCc2ncc(C)s2)C1 ZINC001484522394 1089462360 /nfs/dbraw/zinc/46/23/60/1089462360.db2.gz DNVKJJJZQLMHQH-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC001161913935 1089466009 /nfs/dbraw/zinc/46/60/09/1089466009.db2.gz DCASSULMZVFLLN-SFHVURJKSA-N 0 3 324.468 3.027 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](CC)c1ccccc1 ZINC001156318563 1089477663 /nfs/dbraw/zinc/47/76/63/1089477663.db2.gz FCWWCBWPZCZQRF-MSOLQXFVSA-N 0 3 314.473 3.420 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@H](C)C1CC1 ZINC001484556826 1089491227 /nfs/dbraw/zinc/49/12/27/1089491227.db2.gz KCZVCFVSDVAIER-INIZCTEOSA-N 0 3 312.457 3.194 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001156390004 1089502338 /nfs/dbraw/zinc/50/23/38/1089502338.db2.gz CUGXNKXSPJMBRB-MSOLQXFVSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001156415310 1089512784 /nfs/dbraw/zinc/51/27/84/1089512784.db2.gz LGJQMQZXRJYMTH-MRXNPFEDSA-N 0 3 310.441 3.110 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)C(CC)CC)C2)CC1 ZINC001484579650 1089515893 /nfs/dbraw/zinc/51/58/93/1089515893.db2.gz FROWCKRIMWIWAV-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3sccc3Cl)C2)C1=O ZINC001272685972 1089530819 /nfs/dbraw/zinc/53/08/19/1089530819.db2.gz ANFMRTACBITNGH-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc3ccsc32)CCC1 ZINC001484657657 1089575446 /nfs/dbraw/zinc/57/54/46/1089575446.db2.gz MTONVYQGYOWOCE-UHFFFAOYSA-N 0 3 312.438 3.167 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001484718499 1089610849 /nfs/dbraw/zinc/61/08/49/1089610849.db2.gz QBKBMKRWUGJLBW-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001156672848 1089636227 /nfs/dbraw/zinc/63/62/27/1089636227.db2.gz ZDVIXNQJCGKJHS-UHFFFAOYSA-N 0 3 317.408 3.195 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(CCCC)cc1 ZINC001484749483 1089654695 /nfs/dbraw/zinc/65/46/95/1089654695.db2.gz LYRZLVOEXSAVDZ-UHFFFAOYSA-N 0 3 300.446 3.056 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C1CCC(CCCC)CC1 ZINC001156761206 1089682721 /nfs/dbraw/zinc/68/27/21/1089682721.db2.gz LORZWXSVLNAUOF-WWDZGPRUSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC(C)(C)c1ccc(C)cc1 ZINC001156792386 1089696688 /nfs/dbraw/zinc/69/66/88/1089696688.db2.gz PEBZBYDYRKILLL-QGZVFWFLSA-N 0 3 314.473 3.123 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 ZINC001484965791 1089780074 /nfs/dbraw/zinc/78/00/74/1089780074.db2.gz CMNLRYGRVWEHPJ-NVXWUHKLSA-N 0 3 316.445 3.131 20 30 DGEDHN C#CCCCC(=O)NCC[C@H](C)NCc1cccc(F)c1Cl ZINC001484992023 1089831617 /nfs/dbraw/zinc/83/16/17/1089831617.db2.gz UTDGPTULPJHMAT-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001157158519 1089848094 /nfs/dbraw/zinc/84/80/94/1089848094.db2.gz BVDLOVKTCJGPHJ-JKSUJKDBSA-N 0 3 300.446 3.274 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001157190568 1089864463 /nfs/dbraw/zinc/86/44/63/1089864463.db2.gz QKCKJWAOHAQWTB-VNCLNFNDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001485109386 1089964150 /nfs/dbraw/zinc/96/41/50/1089964150.db2.gz YVZZDMTZNNUQOA-MHVXSEJMSA-N 0 3 318.848 3.027 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001157719223 1090087745 /nfs/dbraw/zinc/08/77/45/1090087745.db2.gz SSPBWMYWHJLQFX-UHFFFAOYSA-N 0 3 324.827 3.125 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001485297948 1090088784 /nfs/dbraw/zinc/08/87/84/1090088784.db2.gz OWHLJHVTHFNZJQ-KDOFPFPSSA-N 0 3 316.420 3.053 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485300469 1090089596 /nfs/dbraw/zinc/08/95/96/1090089596.db2.gz HZPZVJRXVVXHIR-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN N#CC1(c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CCC1 ZINC001157759971 1090102178 /nfs/dbraw/zinc/10/21/78/1090102178.db2.gz ZSKMRCYFHAACRG-SFHVURJKSA-N 0 3 318.424 3.178 20 30 DGEDHN COc1c(N[C@@H]2CNCc3ccsc32)ccc(F)c1C#N ZINC001163236960 1090129285 /nfs/dbraw/zinc/12/92/85/1090129285.db2.gz HLUYQFSTVHLHNM-CYBMUJFWSA-N 0 3 303.362 3.024 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)CCc1ccccc1F ZINC001485354947 1090131739 /nfs/dbraw/zinc/13/17/39/1090131739.db2.gz CEUNEOHYRCHDQV-OAHLLOKOSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(c2ccccc2C)CCC1 ZINC001485378780 1090137437 /nfs/dbraw/zinc/13/74/37/1090137437.db2.gz YTXRNOIKVBHQEL-MRXNPFEDSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001157951316 1090155910 /nfs/dbraw/zinc/15/59/10/1090155910.db2.gz UABWUVOMGJNZNI-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)CC ZINC001485459231 1090171103 /nfs/dbraw/zinc/17/11/03/1090171103.db2.gz MVNHXIGKWACHBQ-QGZVFWFLSA-N 0 3 320.864 3.366 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)CC ZINC001485459230 1090171350 /nfs/dbraw/zinc/17/13/50/1090171350.db2.gz MVNHXIGKWACHBQ-KRWDZBQOSA-N 0 3 320.864 3.366 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(F)ccc1F ZINC001158072250 1090181607 /nfs/dbraw/zinc/18/16/07/1090181607.db2.gz XNTNUFUBPQRVBJ-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(C)cc1 ZINC001158194650 1090199162 /nfs/dbraw/zinc/19/91/62/1090199162.db2.gz HHKRJHCFYCEVDS-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001485541199 1090203959 /nfs/dbraw/zinc/20/39/59/1090203959.db2.gz YHWKDEBGBNCZBJ-HOTGVXAUSA-N 0 3 300.446 3.111 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](C)c2ccccc2)C(C)(C)C1 ZINC001485580646 1090217400 /nfs/dbraw/zinc/21/74/00/1090217400.db2.gz MZFGRKNUPFQVIV-FUHWJXTLSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1sccc1-n1cccc1 ZINC001163611165 1090219328 /nfs/dbraw/zinc/21/93/28/1090219328.db2.gz OOVXBMMMEQQMDX-UHFFFAOYSA-N 0 3 323.849 3.001 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC3(C)CC3)C[C@@H]2C1 ZINC001485658736 1090232347 /nfs/dbraw/zinc/23/23/47/1090232347.db2.gz UXMYJKLGKBKSID-RRFJBIMHSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[C@@H]2CC)C1 ZINC001485688328 1090241051 /nfs/dbraw/zinc/24/10/51/1090241051.db2.gz FIJJURPXOHWDMP-QBYUYEEZSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001485729112 1090257485 /nfs/dbraw/zinc/25/74/85/1090257485.db2.gz ASYOMALTLISBAV-FPCVCCKLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCCCCCN1CCC[C@]12CCN([C@H](C)C(C)=O)C2=O ZINC001272701760 1090294859 /nfs/dbraw/zinc/29/48/59/1090294859.db2.gz LLHKCOHUSCKTJF-VQIMIIECSA-N 0 3 320.477 3.167 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1ccn(C(CC)CC)n1 ZINC001163953073 1090296710 /nfs/dbraw/zinc/29/67/10/1090296710.db2.gz GTGYHSHARRMTCZ-UHFFFAOYSA-N 0 3 320.481 3.052 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1cc(OC)ccc1Cl ZINC001163952876 1090296951 /nfs/dbraw/zinc/29/69/51/1090296951.db2.gz CGRFDRPPIFFRCZ-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001485812109 1090314675 /nfs/dbraw/zinc/31/46/75/1090314675.db2.gz YQEVSTYSKFIZHS-FQEVSTJZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](CNCc1ccns1)C1CC1 ZINC001485820066 1090358221 /nfs/dbraw/zinc/35/82/21/1090358221.db2.gz MODDHQYPCWDEDA-HNNXBMFYSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCCCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001164262911 1090389015 /nfs/dbraw/zinc/38/90/15/1090389015.db2.gz OEBDKQNGCWLNAW-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164360773 1090412839 /nfs/dbraw/zinc/41/28/39/1090412839.db2.gz SXEGFSMGAMKBDV-CYBMUJFWSA-N 0 3 324.852 3.244 20 30 DGEDHN C#CCCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107372400 1090428333 /nfs/dbraw/zinc/42/83/33/1090428333.db2.gz FEMUOHWHKDGWEB-IPPDXURASA-N 0 3 322.880 3.293 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2N(C/C=C\Cl)CC3)C1 ZINC001107543413 1090458402 /nfs/dbraw/zinc/45/84/02/1090458402.db2.gz IDELWDSXVLFIEB-IJAGOONPSA-N 0 3 322.880 3.456 20 30 DGEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CC(C)(N(C)C)C3)c12 ZINC001165121081 1090466847 /nfs/dbraw/zinc/46/68/47/1090466847.db2.gz FREHTAZCKMRFTR-UHFFFAOYSA-N 0 3 314.820 3.209 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001165390597 1090514056 /nfs/dbraw/zinc/51/40/56/1090514056.db2.gz LQPCYRDUQRROBH-GFCCVEGCSA-N 0 3 320.811 3.050 20 30 DGEDHN C=CCNc1nnc(SCCN2C[C@@H](C)C[C@H](C)C2)s1 ZINC001165421851 1090519286 /nfs/dbraw/zinc/51/92/86/1090519286.db2.gz IFDAVIJLDAQAPM-RYUDHWBXSA-N 0 3 312.508 3.206 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001165722530 1090542310 /nfs/dbraw/zinc/54/23/10/1090542310.db2.gz VXQUUFOTFNMLAC-LBPRGKRZSA-N 0 3 315.244 3.292 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1cc(F)ccc1F ZINC001165921606 1090561563 /nfs/dbraw/zinc/56/15/63/1090561563.db2.gz OPIZJFHMKDWDKO-QGZVFWFLSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1ccc(F)cc1F ZINC001165921418 1090561720 /nfs/dbraw/zinc/56/17/20/1090561720.db2.gz KWYJXTCVBNROSH-KRWDZBQOSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCNCc2oc(C(C)C)nc2C)C1 ZINC001166249370 1090592738 /nfs/dbraw/zinc/59/27/38/1090592738.db2.gz SSRRCGGCFSUWIG-UHFFFAOYSA-N 0 3 319.449 3.059 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2c(o1)CCCC2 ZINC001272823408 1090643721 /nfs/dbraw/zinc/64/37/21/1090643721.db2.gz MHLRRKPVNDZUDI-GFCCVEGCSA-N 0 3 310.825 3.009 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C=C(CC)CC)C[C@@H](C)O2 ZINC001111540721 1090662311 /nfs/dbraw/zinc/66/23/11/1090662311.db2.gz SDPFRVPMLJSVCX-MRXNPFEDSA-N 0 3 320.477 3.001 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2occc2c1 ZINC001272880357 1090666372 /nfs/dbraw/zinc/66/63/72/1090666372.db2.gz GVCZNILPMNIOBB-HXUWFJFHSA-N 0 3 322.408 3.023 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001167044274 1090702419 /nfs/dbraw/zinc/70/24/19/1090702419.db2.gz KBCKHCIWPKVINJ-CABCVRRESA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)s1 ZINC001272934505 1090704804 /nfs/dbraw/zinc/70/48/04/1090704804.db2.gz RMDWDIQURMNPBA-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)[C@H]1C ZINC001486085327 1090744233 /nfs/dbraw/zinc/74/42/33/1090744233.db2.gz QCCMXVNEPDYJNU-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203558694 1090755155 /nfs/dbraw/zinc/75/51/55/1090755155.db2.gz VZAVXDFTFYOLPL-GOSISDBHSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203558694 1090755159 /nfs/dbraw/zinc/75/51/59/1090755159.db2.gz VZAVXDFTFYOLPL-GOSISDBHSA-N 0 3 308.381 3.307 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC2(C)CC2)C12CCC2 ZINC001203569725 1090758552 /nfs/dbraw/zinc/75/85/52/1090758552.db2.gz DPOMARUXVKFPIP-KBPBESRZSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCC2(C)CC2)C12CCC2 ZINC001203569728 1090758740 /nfs/dbraw/zinc/75/87/40/1090758740.db2.gz DPOMARUXVKFPIP-ZIAGYGMSSA-N 0 3 310.869 3.336 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001486135574 1090759633 /nfs/dbraw/zinc/75/96/33/1090759633.db2.gz QGBXJELKIJUODT-FUHWJXTLSA-N 0 3 306.494 3.297 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2c[nH]c3ccccc23)C1=O ZINC001272940645 1090767900 /nfs/dbraw/zinc/76/79/00/1090767900.db2.gz QVMWTRHBBJAXKB-HXUWFJFHSA-N 0 3 323.440 3.311 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001203745195 1090795111 /nfs/dbraw/zinc/79/51/11/1090795111.db2.gz OPNZJBGORFFZKW-QGZVFWFLSA-N 0 3 302.418 3.180 20 30 DGEDHN Cc1ccc(C)c(CN2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001203751375 1090796574 /nfs/dbraw/zinc/79/65/74/1090796574.db2.gz DSLDKWNVVHRXBS-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001203763879 1090799615 /nfs/dbraw/zinc/79/96/15/1090799615.db2.gz QOFMVTQAAYUBJF-INIZCTEOSA-N 0 3 300.402 3.112 20 30 DGEDHN CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC001203764200 1090800416 /nfs/dbraw/zinc/80/04/16/1090800416.db2.gz CWMPWUVWIWLBJL-MRXNPFEDSA-N 0 3 300.402 3.254 20 30 DGEDHN CC(C)N(CCN(C)CC1=CCCCC1)C(=O)C#CC1CC1 ZINC001486368657 1090811301 /nfs/dbraw/zinc/81/13/01/1090811301.db2.gz XIRKWXWQFUJNMX-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCC(F)(F)C1)C(C)C ZINC001486376193 1090813861 /nfs/dbraw/zinc/81/38/61/1090813861.db2.gz YKBOFZMCOKCIEU-HNNXBMFYSA-N 0 3 314.420 3.004 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(C(F)F)c1)C(C)C ZINC001486378652 1090815208 /nfs/dbraw/zinc/81/52/08/1090815208.db2.gz CQUUHDNHRGRVKL-UHFFFAOYSA-N 0 3 322.399 3.430 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2ccsc2[nH]1 ZINC001272944180 1090817543 /nfs/dbraw/zinc/81/75/43/1090817543.db2.gz QHKYBJMRCCONGJ-JTQLQIEISA-N 0 3 311.838 3.080 20 30 DGEDHN CC1CC(C(=O)N2CCCC[C@@H]2CNCC#Cc2ccccc2)C1 ZINC001272944670 1090832346 /nfs/dbraw/zinc/83/23/46/1090832346.db2.gz KRXNJZVQHMFGOF-LYBXBRPPSA-N 0 3 324.468 3.055 20 30 DGEDHN N#Cc1ccc(CN2CCC(O)(Cc3ccccc3)CC2)cc1 ZINC001203900212 1090833165 /nfs/dbraw/zinc/83/31/65/1090833165.db2.gz FLCUVSADOLCYDT-UHFFFAOYSA-N 0 3 306.409 3.128 20 30 DGEDHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccc(C#N)cc2)o1 ZINC001203902838 1090834388 /nfs/dbraw/zinc/83/43/88/1090834388.db2.gz LUQRDLYGKHIKBR-UXHICEINSA-N 0 3 321.424 3.309 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C(C)=C\CC)CC[C@H]1C(F)(F)F ZINC001486451328 1090839720 /nfs/dbraw/zinc/83/97/20/1090839720.db2.gz MQGTZWDNUXLJHA-NGPFNDBQSA-N 0 3 318.383 3.288 20 30 DGEDHN CCc1ccc(CN2CC=C(CNC(=O)C#CC(C)C)CC2)cc1 ZINC001486507787 1090860113 /nfs/dbraw/zinc/86/01/13/1090860113.db2.gz XTRVRNBYZOEZJO-UHFFFAOYSA-N 0 3 324.468 3.157 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2ccc(CC)cc2)CC1 ZINC001486516391 1090861492 /nfs/dbraw/zinc/86/14/92/1090861492.db2.gz BUPFYICEJSTBAX-INIZCTEOSA-N 0 3 312.457 3.287 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001486522076 1090867766 /nfs/dbraw/zinc/86/77/66/1090867766.db2.gz VVPXFTXRMIHCNP-KRWDZBQOSA-N 0 3 312.457 3.108 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccccn1)[C@@H]2CC ZINC001204058574 1090885971 /nfs/dbraw/zinc/88/59/71/1090885971.db2.gz XIVZZJSWUXUOCH-MJGOQNOKSA-N 0 3 313.445 3.003 20 30 DGEDHN C=CCOC(=O)N1CCC2(CCCN(Cc3ccoc3)C2)CC1 ZINC001204240666 1090933232 /nfs/dbraw/zinc/93/32/32/1090933232.db2.gz CPTRXGUZGCBMQV-UHFFFAOYSA-N 0 3 318.417 3.280 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)OC)CC2)cc1 ZINC001204302758 1090944462 /nfs/dbraw/zinc/94/44/62/1090944462.db2.gz RZKIAEHWSXEDIL-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccccc1C#N)CC2 ZINC001204370502 1090957523 /nfs/dbraw/zinc/95/75/23/1090957523.db2.gz ATAXCNMKWHYBGV-HXUWFJFHSA-N 0 3 323.440 3.091 20 30 DGEDHN C=C(C)CCC(=O)NCCNCc1cccc(C(F)(F)F)c1 ZINC001128417861 1090958778 /nfs/dbraw/zinc/95/87/78/1090958778.db2.gz HRFJALTWRUHYFR-UHFFFAOYSA-N 0 3 314.351 3.268 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001273000583 1090979555 /nfs/dbraw/zinc/97/95/55/1090979555.db2.gz WDSQULRGUSPQQZ-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc(CC)o1)CC2 ZINC001273000169 1090979724 /nfs/dbraw/zinc/97/97/24/1090979724.db2.gz ULLIYOGQHYXGFR-QGZVFWFLSA-N 0 3 316.445 3.136 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001204526781 1090991785 /nfs/dbraw/zinc/99/17/85/1090991785.db2.gz KWFFMOJCPYBUTC-QGZVFWFLSA-N 0 3 302.418 3.180 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001204526545 1090991805 /nfs/dbraw/zinc/99/18/05/1090991805.db2.gz DWNIBFCKDOUTLW-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccc(F)cc3C#N)c2)CC1 ZINC001204564653 1090999909 /nfs/dbraw/zinc/99/99/09/1090999909.db2.gz PFLUVLMFUOSIOM-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN CCCCCCC/C=C/CN1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC001273107598 1091041466 /nfs/dbraw/zinc/04/14/66/1091041466.db2.gz CNZMOPKABVIUKU-YXBWYFRISA-N 0 3 322.493 3.084 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2CC[C@@H](C)c2ccc(C)o2)C1=O ZINC001273126706 1091064359 /nfs/dbraw/zinc/06/43/59/1091064359.db2.gz WPAYFHHJAHKQJZ-DNVCBOLYSA-N 0 3 316.445 3.335 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108114855 1091095106 /nfs/dbraw/zinc/09/51/06/1091095106.db2.gz IGWQXLCDLOFOLR-IBGZPJMESA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCOc1ccc(CN2CCC(SC)CC2)cc1OC ZINC001138345589 1091148085 /nfs/dbraw/zinc/14/80/85/1091148085.db2.gz JZTARLFNLGMOLO-UHFFFAOYSA-N 0 3 305.443 3.035 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001493606929 1091235697 /nfs/dbraw/zinc/23/56/97/1091235697.db2.gz SMZRQCBEMCCGQZ-OAHLLOKOSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(C)(C(=O)OCC)CC2)c1[O-] ZINC001138627659 1091260334 /nfs/dbraw/zinc/26/03/34/1091260334.db2.gz DQHWSSMABBMXNT-UHFFFAOYSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1[O-] ZINC001138625225 1091260386 /nfs/dbraw/zinc/26/03/86/1091260386.db2.gz HTVWKDAZTXLHIJ-UHFFFAOYSA-N 0 3 323.440 3.228 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCCN(c3ccccn3)CC2)c1[O-] ZINC001138625225 1091260391 /nfs/dbraw/zinc/26/03/91/1091260391.db2.gz HTVWKDAZTXLHIJ-UHFFFAOYSA-N 0 3 323.440 3.228 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001273161482 1091274051 /nfs/dbraw/zinc/27/40/51/1091274051.db2.gz JZNPWDLOSDSVBW-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108173140 1091283376 /nfs/dbraw/zinc/28/33/76/1091283376.db2.gz LHXRYYFMSCUCFY-VQIMIIECSA-N 0 3 324.509 3.375 20 30 DGEDHN Cc1cccnc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001205807498 1091358841 /nfs/dbraw/zinc/35/88/41/1091358841.db2.gz OEQRQIZKULKZMR-SFHVURJKSA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCOc1ccccc1CN(C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001139031412 1091425328 /nfs/dbraw/zinc/42/53/28/1091425328.db2.gz XJYAPFMKFMQYEM-GOSISDBHSA-N 0 3 316.445 3.083 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3scc(C)c3Cl)[C@@H]2C1 ZINC001084368679 1091482867 /nfs/dbraw/zinc/48/28/67/1091482867.db2.gz LPVQQAUCDSJTRK-CHWSQXEVSA-N 0 3 324.877 3.432 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CCc1ccc(C)s1 ZINC001273221472 1091508439 /nfs/dbraw/zinc/50/84/39/1091508439.db2.gz PEOPBURGBDQDPN-GFCCVEGCSA-N 0 3 314.882 3.226 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001084661413 1091530454 /nfs/dbraw/zinc/53/04/54/1091530454.db2.gz SMYDQOMMTBHSDH-NVXWUHKLSA-N 0 3 313.445 3.005 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001084787606 1091565915 /nfs/dbraw/zinc/56/59/15/1091565915.db2.gz XPPZALXDOOTMOM-BRSBDYLESA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4ccccc4c3)[C@@H]2C1 ZINC001084794203 1091567664 /nfs/dbraw/zinc/56/76/64/1091567664.db2.gz OJRZMYXZWWTSAS-WOJBJXKFSA-N 0 3 318.420 3.009 20 30 DGEDHN N#Cc1cccc2c(CN3CCC4(C[C@H]4CCO)CC3)c[nH]c21 ZINC001139703406 1091647186 /nfs/dbraw/zinc/64/71/86/1091647186.db2.gz MMEUDYBCDYVQIV-MRXNPFEDSA-N 0 3 309.413 3.024 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@H](F)c3ccccc3)C[C@@H]21 ZINC001085044100 1091648867 /nfs/dbraw/zinc/64/88/67/1091648867.db2.gz ATMXIIOXKSZNJW-BPQIPLTHSA-N 0 3 316.420 3.196 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)C[C@@H]21 ZINC001085048461 1091651131 /nfs/dbraw/zinc/65/11/31/1091651131.db2.gz QOGUKRUHYMHFDG-QRQLOZEOSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C[C@@H]21 ZINC001085078024 1091661335 /nfs/dbraw/zinc/66/13/35/1091661335.db2.gz WJHFPCPNYGSYKJ-UHOSZYNNSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)o1 ZINC001085134040 1091684213 /nfs/dbraw/zinc/68/42/13/1091684213.db2.gz DFZYNAIENOZDCD-GHMZBOCLSA-N 0 3 317.216 3.316 20 30 DGEDHN C=CCOCCCNCc1sc(N2CCCC2)nc1Cl ZINC001206692017 1091704029 /nfs/dbraw/zinc/70/40/29/1091704029.db2.gz VQUCOHLYALSFDE-UHFFFAOYSA-N 0 3 315.870 3.079 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(F)CCCC1 ZINC001085251614 1091724853 /nfs/dbraw/zinc/72/48/53/1091724853.db2.gz ZLSGAFUNZWQBSA-CHWSQXEVSA-N 0 3 302.821 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1occc1Cl ZINC001085322206 1091746183 /nfs/dbraw/zinc/74/61/83/1091746183.db2.gz DVGCSCAWHDNGQS-VXGBXAGGSA-N 0 3 317.216 3.316 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)cc1 ZINC001085403969 1091767565 /nfs/dbraw/zinc/76/75/65/1091767565.db2.gz NEHIBQMHEKDACW-HZPDHXFCSA-N 0 3 306.837 3.378 20 30 DGEDHN Cc1nc([C@H]2CCCN(Cc3c[nH]c4ccc(C#N)cc34)C2)no1 ZINC001140111158 1091771304 /nfs/dbraw/zinc/77/13/04/1091771304.db2.gz ZICGVIOOTGWRPF-AWEZNQCLSA-N 0 3 321.384 3.111 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)s1 ZINC001085437401 1091777851 /nfs/dbraw/zinc/77/78/51/1091777851.db2.gz GOHPKJKCTKTRFZ-GHMZBOCLSA-N 0 3 316.829 3.270 20 30 DGEDHN CN(CCN(C)Cc1ccc(C#N)cc1F)Cc1ccccc1 ZINC001140139628 1091780705 /nfs/dbraw/zinc/78/07/05/1091780705.db2.gz GBPNAMDJTMAAPF-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085595099 1091846094 /nfs/dbraw/zinc/84/60/94/1091846094.db2.gz WSWRNRAHXSFGFC-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085595100 1091846562 /nfs/dbraw/zinc/84/65/62/1091846562.db2.gz WSWRNRAHXSFGFC-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN O=C(CC1CCCC1)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207115582 1091850435 /nfs/dbraw/zinc/85/04/35/1091850435.db2.gz AQWGSHNQISKELJ-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616777 1091860100 /nfs/dbraw/zinc/86/01/00/1091860100.db2.gz VIBTXNLVUHWHBW-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001297373681 1091871623 /nfs/dbraw/zinc/87/16/23/1091871623.db2.gz ZIFCYRIKTFJKTR-HOCLYGCPSA-N 0 3 314.420 3.168 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncc(Cl)c1C ZINC001085653648 1091871622 /nfs/dbraw/zinc/87/16/22/1091871622.db2.gz WWGPELQZTPYTTK-CQSZACIVSA-N 0 3 321.852 3.156 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2ccc(C)nc21 ZINC001085663706 1091874089 /nfs/dbraw/zinc/87/40/89/1091874089.db2.gz QUVOHLASRAHUEI-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001085701364 1091886629 /nfs/dbraw/zinc/88/66/29/1091886629.db2.gz NKOVPILUPIIQQB-MRXNPFEDSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001085718215 1091898488 /nfs/dbraw/zinc/89/84/88/1091898488.db2.gz LGPPMNBASDSHSE-AWEZNQCLSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1CCC1CCCCC1 ZINC001207262050 1091901401 /nfs/dbraw/zinc/90/14/01/1091901401.db2.gz JCVVSOVYPPRYDD-GOSISDBHSA-N 0 3 317.477 3.492 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#N)nc2)CC[C@@]1(C)c1cccc(O)c1 ZINC001140544605 1091904321 /nfs/dbraw/zinc/90/43/21/1091904321.db2.gz WAQVTAJFGUNONK-MGPUTAFESA-N 0 3 321.424 3.459 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CN1CCC[C@H](C#N)CC1 ZINC001207315487 1091921469 /nfs/dbraw/zinc/92/14/69/1091921469.db2.gz RLLKNOAKPAEZNO-HOTGVXAUSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1OC ZINC001085786159 1091935049 /nfs/dbraw/zinc/93/50/49/1091935049.db2.gz IGAKWEBOVDHOPB-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835911 1091960874 /nfs/dbraw/zinc/96/08/74/1091960874.db2.gz WZOOOJRLGCEBPQ-QGZVFWFLSA-N 0 3 304.409 3.247 20 30 DGEDHN CO[C@@H]1CCC[C@@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001140758105 1091987348 /nfs/dbraw/zinc/98/73/48/1091987348.db2.gz ZZUPUCIFNDBGJJ-HACGYAERSA-N 0 3 306.356 3.083 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001085868048 1091989113 /nfs/dbraw/zinc/98/91/13/1091989113.db2.gz DDAGRVHBKQKYHL-CEXWTWQISA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)C=CCC2 ZINC001085871220 1091990888 /nfs/dbraw/zinc/99/08/88/1091990888.db2.gz OYASBGHWWLEQAE-IBGZPJMESA-N 0 3 310.441 3.368 20 30 DGEDHN N#Cc1ccc(N2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC001207514066 1092002818 /nfs/dbraw/zinc/00/28/18/1092002818.db2.gz XYDGEWKJRZWBFZ-UHFFFAOYSA-N 0 3 309.388 3.062 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001085951444 1092040125 /nfs/dbraw/zinc/04/01/25/1092040125.db2.gz GOPVSZROXGOUAH-DOTOQJQBSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2OC)C1 ZINC001207629591 1092049970 /nfs/dbraw/zinc/04/99/70/1092049970.db2.gz TYMHCMSKZJKKCQ-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085974259 1092066568 /nfs/dbraw/zinc/06/65/68/1092066568.db2.gz PVOLQICVPZUMJL-MRXNPFEDSA-N 0 3 303.450 3.182 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993585 1092082513 /nfs/dbraw/zinc/08/25/13/1092082513.db2.gz PIAUHPMVCYBLQE-QGZVFWFLSA-N 0 3 304.409 3.269 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC(c2ccccc2)C1 ZINC001085998201 1092087548 /nfs/dbraw/zinc/08/75/48/1092087548.db2.gz QCDJCBLLEQTUFW-CTWPCTMYSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108235226 1092111064 /nfs/dbraw/zinc/11/10/64/1092111064.db2.gz UDZMYLWMDQAVGX-IEBWSBKVSA-N 0 3 324.509 3.375 20 30 DGEDHN N#Cc1ccc(N2CCN(CC3(c4ccccc4)CC3)CC2)cc1 ZINC001207837996 1092113870 /nfs/dbraw/zinc/11/38/70/1092113870.db2.gz APZWUTWPPOEPJW-UHFFFAOYSA-N 0 3 317.436 3.412 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001086106886 1092133952 /nfs/dbraw/zinc/13/39/52/1092133952.db2.gz BUEMTIUSTQRWQB-OTVXOJSOSA-N 0 3 321.852 3.056 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001207909019 1092135967 /nfs/dbraw/zinc/13/59/67/1092135967.db2.gz MKKHJRGLMBWSCW-HZPDHXFCSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001086156398 1092144697 /nfs/dbraw/zinc/14/46/97/1092144697.db2.gz CREXZONLEMJFET-JGPUMOJJSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001086195277 1092157407 /nfs/dbraw/zinc/15/74/07/1092157407.db2.gz LCIGCUADOBZTJT-UPJWGTAASA-N 0 3 320.811 3.049 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001207995384 1092170890 /nfs/dbraw/zinc/17/08/90/1092170890.db2.gz HECULFJFDJYYLG-INIZCTEOSA-N 0 3 318.848 3.080 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cccc(F)c2)CCC1 ZINC001491577871 1092180033 /nfs/dbraw/zinc/18/00/33/1092180033.db2.gz CPWMPTAQMRYXON-CQSZACIVSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001086258733 1092180117 /nfs/dbraw/zinc/18/01/17/1092180117.db2.gz PCQPBKBCVZFNDT-VDISTLRHSA-N 0 3 313.228 3.191 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001086268868 1092186612 /nfs/dbraw/zinc/18/66/12/1092186612.db2.gz CFOJYPPWNJFLIO-XFHMXUHZSA-N 0 3 318.848 3.026 20 30 DGEDHN CCC(CC)(CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001491625217 1092192161 /nfs/dbraw/zinc/19/21/61/1092192161.db2.gz RCKKEEGCZGLXCW-CYBMUJFWSA-N 0 3 321.490 3.430 20 30 DGEDHN CC(C)CCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001273424261 1092219961 /nfs/dbraw/zinc/21/99/61/1092219961.db2.gz MHTPWWUZCSXHOS-GOSISDBHSA-N 0 3 305.466 3.183 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)CC1 ZINC001208177090 1092240741 /nfs/dbraw/zinc/24/07/41/1092240741.db2.gz MSJXPMQOZBSEHX-AQNXPRMDSA-N 0 3 316.489 3.084 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC001086411204 1092240551 /nfs/dbraw/zinc/24/05/51/1092240551.db2.gz UWPVZQHXJNGSTI-KLHDSHLOSA-N 0 3 312.885 3.440 20 30 DGEDHN COC(C)(C)CCC[C@H](C)CCN1CCN(CCC#N)CC1 ZINC001208205637 1092265383 /nfs/dbraw/zinc/26/53/83/1092265383.db2.gz KESUFNOZWBBSOQ-KRWDZBQOSA-N 0 3 309.498 3.139 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001208239910 1092286395 /nfs/dbraw/zinc/28/63/95/1092286395.db2.gz GTKHGRKHINDJCU-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001086498335 1092288341 /nfs/dbraw/zinc/28/83/41/1092288341.db2.gz GVYHBJXGOJDRES-DZUCGIPZSA-N 0 3 318.848 3.027 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001208255648 1092293934 /nfs/dbraw/zinc/29/39/34/1092293934.db2.gz NVKHAFFDTTVIPT-AWEZNQCLSA-N 0 3 317.458 3.057 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC001491953700 1092319460 /nfs/dbraw/zinc/31/94/60/1092319460.db2.gz CBXDFHZZSQSFOY-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001491960854 1092325374 /nfs/dbraw/zinc/32/53/74/1092325374.db2.gz YRBPHWJRWHKIAT-BZSNNMDCSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001491959267 1092326737 /nfs/dbraw/zinc/32/67/37/1092326737.db2.gz KGQSQIWKVSCCFT-IAGOWNOFSA-N 0 3 306.494 3.395 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)OC(C)(C)C ZINC001168820557 1092378811 /nfs/dbraw/zinc/37/88/11/1092378811.db2.gz CBZZJHUXUIJCFI-VXGBXAGGSA-N 0 3 321.446 3.107 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1ccccc1F ZINC001492098627 1092381069 /nfs/dbraw/zinc/38/10/69/1092381069.db2.gz KSYOAQXKIBJCFJ-CHWSQXEVSA-N 0 3 312.816 3.166 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(c2cccc(F)c2)CC1 ZINC001492091987 1092402091 /nfs/dbraw/zinc/40/20/91/1092402091.db2.gz HOFMZZQEHRXVAK-ZDUSSCGKSA-N 0 3 324.827 3.094 20 30 DGEDHN CC[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C#CC(C)C ZINC001492246531 1092456542 /nfs/dbraw/zinc/45/65/42/1092456542.db2.gz ABXJDPZDJLSAEQ-KRWDZBQOSA-N 0 3 320.864 3.499 20 30 DGEDHN N#Cc1ccccc1N1CCN(CCCc2ccc(F)cc2)CC1 ZINC001208767936 1092497018 /nfs/dbraw/zinc/49/70/18/1092497018.db2.gz OPHCZORTENGAQC-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN CC(=O)Nc1cccc([C@@H](C)NCc2cccc(OCC#N)c2)c1 ZINC000124111055 1092529104 /nfs/dbraw/zinc/52/91/04/1092529104.db2.gz PGISPLFNOBPSOE-CQSZACIVSA-N 0 3 323.396 3.398 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)CC(F)F)C(C)(C)C1 ZINC001276592768 1092532245 /nfs/dbraw/zinc/53/22/45/1092532245.db2.gz AOIGIYBOZSYLFQ-ZDUSSCGKSA-N 0 3 316.436 3.461 20 30 DGEDHN Cc1ccc(N2CCN(CCCc3ccc(C#N)cc3)CC2)nc1 ZINC001208857471 1092546712 /nfs/dbraw/zinc/54/67/12/1092546712.db2.gz FSJRUXBBGHCIJO-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN N#Cc1ccc(CCCN2CCc3cc(C#N)ccc3C2)cc1 ZINC001208856083 1092547262 /nfs/dbraw/zinc/54/72/62/1092547262.db2.gz KKNVBUIVRWEQTO-UHFFFAOYSA-N 0 3 301.393 3.421 20 30 DGEDHN C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001169245901 1092613807 /nfs/dbraw/zinc/61/38/07/1092613807.db2.gz BOAXFUSGYIKEJM-HNNXBMFYSA-N 0 3 304.434 3.237 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001169248512 1092616298 /nfs/dbraw/zinc/61/62/98/1092616298.db2.gz VBRKMNXQHNFUDU-HOTGVXAUSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCN(CCN1CC[C@@H](c2ccccc2F)C1)C(=O)OCC ZINC001209022234 1092628282 /nfs/dbraw/zinc/62/82/82/1092628282.db2.gz JWFCURBVLXKQQV-OAHLLOKOSA-N 0 3 320.408 3.260 20 30 DGEDHN COC(=O)c1ccc2[nH]cc(CN3CCC(C)(C#N)CC3)c2c1 ZINC001143239729 1092640459 /nfs/dbraw/zinc/64/04/59/1092640459.db2.gz WTUMAEKQRAKENO-UHFFFAOYSA-N 0 3 311.385 3.080 20 30 DGEDHN C=CCN1CCN(CCCCCCCCCC(=O)OC)CC1 ZINC001209095708 1092650122 /nfs/dbraw/zinc/65/01/22/1092650122.db2.gz ZBLJAIADCMDVIJ-UHFFFAOYSA-N 0 3 310.482 3.084 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001209110905 1092656500 /nfs/dbraw/zinc/65/65/00/1092656500.db2.gz HWNQKPJBVVCZEU-QGZVFWFLSA-N 0 3 316.420 3.100 20 30 DGEDHN CC1(C)CC[C@H]1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209122602 1092662294 /nfs/dbraw/zinc/66/22/94/1092662294.db2.gz SXNCVXFCQGZURT-OALUTQOASA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209183516 1092684353 /nfs/dbraw/zinc/68/43/53/1092684353.db2.gz NVKMTEAXSKHTCN-CHWSQXEVSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCCN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001209200844 1092690897 /nfs/dbraw/zinc/69/08/97/1092690897.db2.gz PZQPJAKBVRIGOH-IBGZPJMESA-N 0 3 315.461 3.109 20 30 DGEDHN C=CCCCCN1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001209201091 1092691714 /nfs/dbraw/zinc/69/17/14/1092691714.db2.gz UGQRNADBQQFIAQ-IPMKNSEASA-N 0 3 323.477 3.018 20 30 DGEDHN CCC[C@H](CC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001169428179 1092692160 /nfs/dbraw/zinc/69/21/60/1092692160.db2.gz WUBOEYJELIRNPT-HNNXBMFYSA-N 0 3 319.424 3.120 20 30 DGEDHN CCC[C@@H](CC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001169428180 1092692537 /nfs/dbraw/zinc/69/25/37/1092692537.db2.gz WUBOEYJELIRNPT-OAHLLOKOSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCCCCN1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001209202680 1092692591 /nfs/dbraw/zinc/69/25/91/1092692591.db2.gz HNBFNLBHUMNQAK-MRXNPFEDSA-N 0 3 304.482 3.456 20 30 DGEDHN N#Cc1ccccc1OC1CCN(CCOc2ccccc2)CC1 ZINC001209301506 1092729851 /nfs/dbraw/zinc/72/98/51/1092729851.db2.gz UJQPCVNOSIYWLV-UHFFFAOYSA-N 0 3 322.408 3.480 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001276633372 1092737221 /nfs/dbraw/zinc/73/72/21/1092737221.db2.gz GZLRPSSLGCMEQT-MRXNPFEDSA-N 0 3 322.399 3.161 20 30 DGEDHN CC(C)C1(C(=O)N2CCC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001209534697 1092813123 /nfs/dbraw/zinc/81/31/23/1092813123.db2.gz CVMFMIDLXUWQRC-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001150793617 1092827335 /nfs/dbraw/zinc/82/73/35/1092827335.db2.gz FHXPTPGNNWPCOG-ROUUACIJSA-N 0 3 324.509 3.232 20 30 DGEDHN N#C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC001209675623 1092873854 /nfs/dbraw/zinc/87/38/54/1092873854.db2.gz GFELCQMMVOULSW-MRXNPFEDSA-N 0 3 311.429 3.048 20 30 DGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001209677858 1092876061 /nfs/dbraw/zinc/87/60/61/1092876061.db2.gz RZPPVGTYUYFELC-LUPIEILUSA-N 0 3 323.440 3.189 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CN(CCOC)C[C@H]1C ZINC001210559843 1093210735 /nfs/dbraw/zinc/21/07/35/1093210735.db2.gz DFBZESQJFLFXQF-IAGOWNOFSA-N 0 3 312.498 3.210 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001211371797 1093475523 /nfs/dbraw/zinc/47/55/23/1093475523.db2.gz WXUODNLBVHILRZ-SJLPKXTDSA-N 0 3 314.473 3.367 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001211435811 1093494244 /nfs/dbraw/zinc/49/42/44/1093494244.db2.gz NBMKJOQDULBKOB-IIDMSEBBSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)C2CCCCCCC2)[C@H](OC)C1 ZINC001213147266 1093529252 /nfs/dbraw/zinc/52/92/52/1093529252.db2.gz UBDILLXSBUJWSA-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)C(=C)C)[C@H](OC)C1 ZINC001213260386 1093552665 /nfs/dbraw/zinc/55/26/65/1093552665.db2.gz GRSPAMQOQJABSE-IAGOWNOFSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213322791 1093565525 /nfs/dbraw/zinc/56/55/25/1093565525.db2.gz RHXAEJAEADNOOA-VPCPSFPESA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)CCCCCC)[C@H](OC)C1 ZINC001213602298 1093622434 /nfs/dbraw/zinc/62/24/34/1093622434.db2.gz FFAXLDULHBBKMN-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001214513939 1093788782 /nfs/dbraw/zinc/78/87/82/1093788782.db2.gz GMMDCKXANFIFEO-RVKKMQEKSA-N 0 3 316.420 3.127 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccnc(Cl)c2)C1 ZINC001215427635 1093981326 /nfs/dbraw/zinc/98/13/26/1093981326.db2.gz GUZWLBPZDFQVHI-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001215434026 1093982462 /nfs/dbraw/zinc/98/24/62/1093982462.db2.gz LVYUXYGDBWBYLR-CRAIPNDOSA-N 0 3 318.436 3.427 20 30 DGEDHN Cn1ncc(Nc2cccc(CN3CCCCC3)c2F)c1C#N ZINC001215675732 1094030287 /nfs/dbraw/zinc/03/02/87/1094030287.db2.gz PNFDZCZSBXXLFK-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN Cc1cc(C#N)nc(NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC001120032481 1094355691 /nfs/dbraw/zinc/35/56/91/1094355691.db2.gz INDJIJJEOLGEPL-OAHLLOKOSA-N 0 3 321.428 3.294 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)C(CC)CC)[C@H]2C1 ZINC001217326848 1094375918 /nfs/dbraw/zinc/37/59/18/1094375918.db2.gz NASOESMEWSAHKX-ZWKOTPCHSA-N 0 3 324.509 3.305 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(=C)Cl)C1 ZINC001120383096 1094420173 /nfs/dbraw/zinc/42/01/73/1094420173.db2.gz TVAMGSORENVMMW-SJORKVTESA-N 0 3 322.880 3.245 20 30 DGEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)s1)[C@H](C)C(C)(C)C ZINC001135178183 1094430185 /nfs/dbraw/zinc/43/01/85/1094430185.db2.gz QXPGCKRWJHGVJQ-OLZOCXBDSA-N 0 3 321.490 3.144 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135239356 1094455984 /nfs/dbraw/zinc/45/59/84/1094455984.db2.gz YIOGDBRATZFVIO-KGLIPLIRSA-N 0 3 321.490 3.018 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC001135358015 1094501898 /nfs/dbraw/zinc/50/18/98/1094501898.db2.gz LEAZSGPEOITHDS-KGLIPLIRSA-N 0 3 319.449 3.281 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2conc2C)CC1 ZINC001135382295 1094510470 /nfs/dbraw/zinc/51/04/70/1094510470.db2.gz FSLDSUSNHNUYNZ-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@H](C)NCc2conc2C)CC1 ZINC001135382294 1094510712 /nfs/dbraw/zinc/51/07/12/1094510712.db2.gz FSLDSUSNHNUYNZ-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@H](C)NCc2cc(C)no2)CC1 ZINC001135416924 1094527998 /nfs/dbraw/zinc/52/79/98/1094527998.db2.gz YCHIOWKIXFUODY-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NCc2ocnc2C)CC1 ZINC001135416980 1094528178 /nfs/dbraw/zinc/52/81/78/1094528178.db2.gz YPIBVLGUIOVKSD-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCCC(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001103382409 1094601421 /nfs/dbraw/zinc/60/14/21/1094601421.db2.gz JCDJNJZTFUKWLY-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(CCC)CC2)C1 ZINC001103409639 1094616662 /nfs/dbraw/zinc/61/66/62/1094616662.db2.gz LTIHIYIIZOMOCD-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN N#Cc1cccc(-c2ccc(O[C@H]3CC[C@@H]4NCCO[C@@H]43)cc2)c1 ZINC001218118176 1094617055 /nfs/dbraw/zinc/61/70/55/1094617055.db2.gz CMNQDAVIJLUTGN-UFYCRDLUSA-N 0 3 320.392 3.123 20 30 DGEDHN C=CCN1CCC(Nc2ccc(-c3ccccc3OC)nn2)CC1 ZINC001336516736 1094664880 /nfs/dbraw/zinc/66/48/80/1094664880.db2.gz NMAJIWCIKPZVSD-UHFFFAOYSA-N 0 3 324.428 3.215 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2occc2CC)C1 ZINC001086794494 1094688173 /nfs/dbraw/zinc/68/81/73/1094688173.db2.gz WYIAXTTYRVVNKF-GXTWGEPZSA-N 0 3 310.825 3.083 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)C1CCCCC1 ZINC001121495168 1094698822 /nfs/dbraw/zinc/69/88/22/1094698822.db2.gz CUJSYRAACXWYED-HNNXBMFYSA-N 0 3 317.481 3.042 20 30 DGEDHN CCC[C@](C)(CC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001135843472 1094707723 /nfs/dbraw/zinc/70/77/23/1094707723.db2.gz SGZSNXZPZVQONM-INIZCTEOSA-N 0 3 307.463 3.042 20 30 DGEDHN CCn1c2ccccc2nc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC001336728997 1094712706 /nfs/dbraw/zinc/71/27/06/1094712706.db2.gz WAQUTWDNCBXAOV-KGLIPLIRSA-N 0 3 314.433 3.008 20 30 DGEDHN C=C[C@@H](CCCCCCC)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218334538 1094723818 /nfs/dbraw/zinc/72/38/18/1094723818.db2.gz BYSBCVJCHWOEEJ-WMZOPIPTSA-N 0 3 318.461 3.336 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cccc(C)c2)C[C@H]1C ZINC001103840826 1094769083 /nfs/dbraw/zinc/76/90/83/1094769083.db2.gz AEYMZXNEAUZONS-RHSMWYFYSA-N 0 3 320.864 3.435 20 30 DGEDHN C=C[C@@H](Oc1nc2onc(C)c2c2c1CNCC2)c1ccccc1 ZINC001218439444 1094774632 /nfs/dbraw/zinc/77/46/32/1094774632.db2.gz AMTLEBXNBUPCKA-MRXNPFEDSA-N 0 3 321.380 3.483 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1C ZINC001103906905 1094796973 /nfs/dbraw/zinc/79/69/73/1094796973.db2.gz OSDJGFJLEQNUPF-IUODEOHRSA-N 0 3 300.874 3.249 20 30 DGEDHN N#Cc1ccc2cccc(O[C@H]3CNCc4ccccc43)c2n1 ZINC001218488764 1094813321 /nfs/dbraw/zinc/81/33/21/1094813321.db2.gz RIEKETASKDCQMV-SFHVURJKSA-N 0 3 301.349 3.330 20 30 DGEDHN N#Cc1sccc1NC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001218624404 1094843419 /nfs/dbraw/zinc/84/34/19/1094843419.db2.gz ISOVSZBSHDYLGR-DFKQUSKVSA-N 0 3 315.442 3.102 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 ZINC001121965999 1094849642 /nfs/dbraw/zinc/84/96/42/1094849642.db2.gz OOZPLZKPCQGXAC-ZBFHGGJFSA-N 0 3 312.417 3.115 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccoc2CC)C[C@H]1C ZINC001104139109 1094887064 /nfs/dbraw/zinc/88/70/64/1094887064.db2.gz WWQXEWFZGITFPE-TZMCWYRMSA-N 0 3 324.852 3.282 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC001122070878 1094891396 /nfs/dbraw/zinc/89/13/96/1094891396.db2.gz GIJOMBHEYNGKIH-FUHWJXTLSA-N 0 3 310.482 3.093 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC001122070880 1094892646 /nfs/dbraw/zinc/89/26/46/1094892646.db2.gz GIJOMBHEYNGKIH-WMZOPIPTSA-N 0 3 310.482 3.093 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC001122218738 1094927898 /nfs/dbraw/zinc/92/78/98/1094927898.db2.gz WAXWUSWNEBGWND-IAGOWNOFSA-N 0 3 318.486 3.377 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001122291283 1094945527 /nfs/dbraw/zinc/94/55/27/1094945527.db2.gz PFHJRPPJPSGACN-SQNIBIBYSA-N 0 3 313.445 3.240 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001122313410 1094950525 /nfs/dbraw/zinc/95/05/25/1094950525.db2.gz VHWURKPQOSDALH-MTQIJDFFSA-N 0 3 304.821 3.161 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4cccc(Cl)c4C3)CCC2S1 ZINC001170931683 1094958157 /nfs/dbraw/zinc/95/81/57/1094958157.db2.gz RWNNATKLZWQQCP-CJNGLKHVSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4cccc(Cl)c4C3)CC[C@@H]2S1 ZINC001170931683 1094958164 /nfs/dbraw/zinc/95/81/64/1094958164.db2.gz RWNNATKLZWQQCP-CJNGLKHVSA-N 0 3 319.857 3.471 20 30 DGEDHN N#CC(C(=O)[C@H]1CCOC2(CCCC2)C1)c1nc2ccccc2[nH]1 ZINC001122482309 1094985501 /nfs/dbraw/zinc/98/55/01/1094985501.db2.gz KCRJUBUXKXPCFI-KBPBESRZSA-N 0 3 323.396 3.479 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001111888552 1095001474 /nfs/dbraw/zinc/00/14/74/1095001474.db2.gz NHKDUMQWDGQJHX-LNLFQRSKSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCc1cc(F)c(F)c(F)c1 ZINC001219903806 1095031890 /nfs/dbraw/zinc/03/18/90/1095031890.db2.gz HVARGLRWLPQKLP-AWEZNQCLSA-N 0 3 314.351 3.184 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112176091 1095038393 /nfs/dbraw/zinc/03/83/93/1095038393.db2.gz NMEIICYNCSCIBU-JHJVBQTASA-N 0 3 320.399 3.224 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](CC)CCC)C[C@H]1C(F)(F)F ZINC001112184951 1095040458 /nfs/dbraw/zinc/04/04/58/1095040458.db2.gz MOSOIMMKPYEQPC-MGPQQGTHSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NC(=N)c1ccc2ccccc2n1 ZINC001220594590 1095120374 /nfs/dbraw/zinc/12/03/74/1095120374.db2.gz KQCKKRIZIUZVOM-HNNXBMFYSA-N 0 3 324.428 3.140 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221122382 1095203097 /nfs/dbraw/zinc/20/30/97/1095203097.db2.gz QOJMWTZZILWOSP-ZIFCJYIRSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)CCCC(C)=O)[C@@H]2C1 ZINC001221274600 1095229021 /nfs/dbraw/zinc/22/90/21/1095229021.db2.gz LSVHWNZCDPOVIX-QZTJIDSGSA-N 0 3 320.477 3.025 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3cc(C)sc3C)C[C@H]21 ZINC001221424400 1095260357 /nfs/dbraw/zinc/26/03/57/1095260357.db2.gz DKTZDKDAGCAQMB-NVXWUHKLSA-N 0 3 318.486 3.364 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001221514435 1095289406 /nfs/dbraw/zinc/28/94/06/1095289406.db2.gz YMRNDMIZWMAZGW-WOJBJXKFSA-N 0 3 324.468 3.140 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccccc2)CCCCC1 ZINC001115600110 1095294709 /nfs/dbraw/zinc/29/47/09/1095294709.db2.gz VPTVFYBLUDJIRW-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221573480 1095305055 /nfs/dbraw/zinc/30/50/55/1095305055.db2.gz IVSWWLUHLJILOU-WOJBJXKFSA-N 0 3 324.468 3.488 20 30 DGEDHN Cc1noc(C)c1[C@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001123477630 1095312195 /nfs/dbraw/zinc/31/21/95/1095312195.db2.gz TZXYUTXOTVNFJU-PELKAZGASA-N 0 3 319.311 3.335 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C/C=C/Cc3ccccc3)[C@@H]2C1 ZINC001221629618 1095315339 /nfs/dbraw/zinc/31/53/39/1095315339.db2.gz GVKUEKHBPDOUPV-NHQAVIFJSA-N 0 3 324.468 3.284 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)co2)CCCCC1 ZINC001115681507 1095331642 /nfs/dbraw/zinc/33/16/42/1095331642.db2.gz OCZRGYQGBMOKMU-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221760522 1095346833 /nfs/dbraw/zinc/34/68/33/1095346833.db2.gz IGKCHOLPPGMQMG-BHIYHBOVSA-N 0 3 312.457 3.322 20 30 DGEDHN N#Cc1cccc(Cl)c1CN1CCN(C2CCCC2)CC1 ZINC001143723194 1095357652 /nfs/dbraw/zinc/35/76/52/1095357652.db2.gz OAWPZAVQGWBANI-UHFFFAOYSA-N 0 3 303.837 3.272 20 30 DGEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(CC[C@@H](C)F)C[C@H]32)CC1 ZINC001221795422 1095359637 /nfs/dbraw/zinc/35/96/37/1095359637.db2.gz YTDCHFNRXTVERC-BZUAXINKSA-N 0 3 308.441 3.014 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](CCCCC)C(C)(C)C ZINC001221941019 1095393874 /nfs/dbraw/zinc/39/38/74/1095393874.db2.gz GEVSPDITPVFKRM-MRXNPFEDSA-N 0 3 309.498 3.236 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001091044896 1095603971 /nfs/dbraw/zinc/60/39/71/1095603971.db2.gz JBLVFUHITSLFFB-PCKAHOCUSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCCC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001124636337 1095612934 /nfs/dbraw/zinc/61/29/34/1095612934.db2.gz NFEQXMUWHPUUQU-UHFFFAOYSA-N 0 3 306.409 3.428 20 30 DGEDHN N=C(Nc1cccc(C=NO)c1)c1ccc2cc(O)ccc2c1 ZINC001171181736 1095654876 /nfs/dbraw/zinc/65/48/76/1095654876.db2.gz BIJMNOVYHAGXNK-RGVLZGJSSA-N 0 3 305.337 3.391 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3cc(C)ccn3)C2)cc1 ZINC001144581247 1095717697 /nfs/dbraw/zinc/71/76/97/1095717697.db2.gz NVUYLTUCJBBIKN-LJQANCHMSA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC001144568455 1095719281 /nfs/dbraw/zinc/71/92/81/1095719281.db2.gz VQLIJRYUUGXRNE-UHFFFAOYSA-N 0 3 316.404 3.154 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCc1csc2ccccc12 ZINC001339844391 1095754243 /nfs/dbraw/zinc/75/42/43/1095754243.db2.gz BPOSWRQXBBJQKS-HNNXBMFYSA-N 0 3 302.443 3.244 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4scnc4c3)CCC2S1 ZINC001144734386 1095792324 /nfs/dbraw/zinc/79/23/24/1095792324.db2.gz HXSSBKBIZVHIDJ-CYBMUJFWSA-N 0 3 302.424 3.070 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(=O)CCC)c1C ZINC001339990639 1095805642 /nfs/dbraw/zinc/80/56/42/1095805642.db2.gz VUSOSFFMVMUICP-AWEZNQCLSA-N 0 3 317.433 3.356 20 30 DGEDHN CN(C)CCSc1ccc(C#N)c(Br)c1F ZINC000231861993 1095813259 /nfs/dbraw/zinc/81/32/59/1095813259.db2.gz UEWVNZABZCXGID-UHFFFAOYSA-N 0 3 303.200 3.114 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(Oc2ccccn2)CC1 ZINC001171221336 1095815765 /nfs/dbraw/zinc/81/57/65/1095815765.db2.gz KRPAUQNWGSXTIN-MRXNPFEDSA-N 0 3 321.424 3.428 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC001340050215 1095836259 /nfs/dbraw/zinc/83/62/59/1095836259.db2.gz QAPSFBKDBXREPY-HTWSVDAQSA-N 0 3 322.493 3.256 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@@](C)(F)CCCC)C[C@@H]21 ZINC001223031315 1095836934 /nfs/dbraw/zinc/83/69/34/1095836934.db2.gz CZTKJHFRWVFHKT-RYRKJORJSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@](C)(F)CCCC)C[C@@H]21 ZINC001223031318 1095838025 /nfs/dbraw/zinc/83/80/25/1095838025.db2.gz CZTKJHFRWVFHKT-SOLBZPMBSA-N 0 3 310.457 3.404 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(CC)CC)C[C@@H]21 ZINC001223032445 1095840037 /nfs/dbraw/zinc/84/00/37/1095840037.db2.gz QXTONNGANSOGGZ-NXHRZFHOSA-N 0 3 304.478 3.005 20 30 DGEDHN Cc1noc(C2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)n1 ZINC001171229448 1095858348 /nfs/dbraw/zinc/85/83/48/1095858348.db2.gz NPMCTWLJSSBAKN-ZDUSSCGKSA-N 0 3 310.401 3.060 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC001340107645 1095866102 /nfs/dbraw/zinc/86/61/02/1095866102.db2.gz ZWWNGURVVJBYIQ-SFHVURJKSA-N 0 3 315.461 3.082 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001276874617 1095908974 /nfs/dbraw/zinc/90/89/74/1095908974.db2.gz FGVXOVIRNPJRTE-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC001118322323 1095981663 /nfs/dbraw/zinc/98/16/63/1095981663.db2.gz AHXMZOURLRFWCA-VQHPVUNQSA-N 0 3 307.482 3.222 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001146474792 1096049296 /nfs/dbraw/zinc/04/92/96/1096049296.db2.gz IDNOMIQWCUSPOY-HKUYNNGSSA-N 0 3 312.457 3.466 20 30 DGEDHN CC(C)c1cccc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001146623832 1096073132 /nfs/dbraw/zinc/07/31/32/1096073132.db2.gz RXBZDJPQWRAQGD-UHFFFAOYSA-N 0 3 321.424 3.201 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCC3CCCCC3)C[C@@H]21 ZINC001224069670 1096128929 /nfs/dbraw/zinc/12/89/29/1096128929.db2.gz MIEKDWRWCTWDNS-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN COc1cc(NC(=O)[C@@H](N)CCCCC#N)cc2ccccc21 ZINC001341290219 1096147835 /nfs/dbraw/zinc/14/78/35/1096147835.db2.gz OZXKPGURWSGHPQ-INIZCTEOSA-N 0 3 311.385 3.198 20 30 DGEDHN N#Cc1cccc(N2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276954194 1096168013 /nfs/dbraw/zinc/16/80/13/1096168013.db2.gz VPAGUYDKPUKIGY-HDICACEKSA-N 0 3 320.440 3.235 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1C)C2 ZINC001147165936 1096177103 /nfs/dbraw/zinc/17/71/03/1096177103.db2.gz NZMFRXZCMHJHLU-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN CC(C)=CC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224637442 1096250953 /nfs/dbraw/zinc/25/09/53/1096250953.db2.gz CAPVTQSDSSBEGW-RTBURBONSA-N 0 3 310.441 3.021 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001276987751 1096255201 /nfs/dbraw/zinc/25/52/01/1096255201.db2.gz KOQOGUDFJCTKOY-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN C[C@@H](OC[C@@H]1CCCN1C)C(F)(F)C(F)(F)C(F)(F)F ZINC001224817804 1096291054 /nfs/dbraw/zinc/29/10/54/1096291054.db2.gz APFXYRBPFBVQHO-SFYZADRCSA-N 0 3 311.241 3.319 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](CC)CCCC)C2)C1 ZINC001147946449 1096296229 /nfs/dbraw/zinc/29/62/29/1096296229.db2.gz XCFXNOMYSFGGIE-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001224871945 1096305231 /nfs/dbraw/zinc/30/52/31/1096305231.db2.gz DJJDBNGYBDYVTK-FUHWJXTLSA-N 0 3 318.505 3.300 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001148146834 1096314955 /nfs/dbraw/zinc/31/49/55/1096314955.db2.gz JXJMPPHSGHLHOX-ZDUSSCGKSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148126296 1096318038 /nfs/dbraw/zinc/31/80/38/1096318038.db2.gz WGAWQZOCWXYZAV-HNNXBMFYSA-N 0 3 318.486 3.385 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001225162180 1096356291 /nfs/dbraw/zinc/35/62/91/1096356291.db2.gz BAKZTNNLTSVPAP-SFHVURJKSA-N 0 3 322.468 3.146 20 30 DGEDHN Cc1c(C#N)ccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1C ZINC001225512666 1096454456 /nfs/dbraw/zinc/45/44/56/1096454456.db2.gz CVBJRFBKSZLYAO-HDICACEKSA-N 0 3 314.429 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3C=CCC3)C2)CC1 ZINC001086902022 1096500132 /nfs/dbraw/zinc/50/01/32/1096500132.db2.gz UWYWRWMNBWTHPI-ROUUACIJSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC=CCC3)C2)CC1 ZINC001086902449 1096501312 /nfs/dbraw/zinc/50/13/12/1096501312.db2.gz FJMOTMXYTVBTIE-ZWKOTPCHSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C(CC)CC)C2)CC1 ZINC001086903897 1096502072 /nfs/dbraw/zinc/50/20/72/1096502072.db2.gz QRKPAQZPVKEKRH-INIZCTEOSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cscc3C)C2)CC1 ZINC001086914171 1096507247 /nfs/dbraw/zinc/50/72/47/1096507247.db2.gz GPWOJYMOCJXLHV-OAHLLOKOSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccsc3C)C2)CC1 ZINC001086919701 1096509488 /nfs/dbraw/zinc/50/94/88/1096509488.db2.gz WSKGUGHGJXJHQE-CQSZACIVSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2sccc2CC)C1 ZINC001277092978 1096592145 /nfs/dbraw/zinc/59/21/45/1096592145.db2.gz UJJHXDGCYUQWCR-AULYBMBSSA-N 0 3 312.866 3.161 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001110130234 1096595499 /nfs/dbraw/zinc/59/54/99/1096595499.db2.gz YSNQBSKNFAQKHE-RDGPPVDQSA-N 0 3 312.457 3.163 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226058703 1096600866 /nfs/dbraw/zinc/60/08/66/1096600866.db2.gz KQFTUVCNOIBXCR-YBNLGUDHSA-N 0 3 324.468 3.411 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCCCC)C2 ZINC001110130912 1096604190 /nfs/dbraw/zinc/60/41/90/1096604190.db2.gz LAAGREINHPZAAN-IKGGRYGDSA-N 0 3 304.478 3.338 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001093353611 1096680110 /nfs/dbraw/zinc/68/01/10/1096680110.db2.gz BBUYHGKWXWWWLG-SFHVURJKSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001226533274 1096715429 /nfs/dbraw/zinc/71/54/29/1096715429.db2.gz TVWUKABHCAVECW-IAGOWNOFSA-N 0 3 315.461 3.263 20 30 DGEDHN C=CCCC(=O)NC1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC001226535495 1096716769 /nfs/dbraw/zinc/71/67/69/1096716769.db2.gz UBROAZJTNALLRU-LBPRGKRZSA-N 0 3 319.276 3.117 20 30 DGEDHN C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1ccnc(N)c1 ZINC001226653414 1096743936 /nfs/dbraw/zinc/74/39/36/1096743936.db2.gz JCDJDSTWWLWESO-LBPRGKRZSA-N 0 3 322.286 3.142 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001227084872 1096864015 /nfs/dbraw/zinc/86/40/15/1096864015.db2.gz NBOISVSZFHJNLE-UHFFFAOYSA-N 0 3 324.468 3.059 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001277184023 1096879786 /nfs/dbraw/zinc/87/97/86/1096879786.db2.gz YCOXLUWSLNAERO-UHFFFAOYSA-N 0 3 318.436 3.497 20 30 DGEDHN N=C(N[C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc(Cl)cn1 ZINC001171461118 1096890624 /nfs/dbraw/zinc/89/06/24/1096890624.db2.gz WFSQFOIRMWYNNT-GFCCVEGCSA-N 0 3 321.758 3.276 20 30 DGEDHN N#Cc1ccc([O-])c(OC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001227346894 1096918970 /nfs/dbraw/zinc/91/89/70/1096918970.db2.gz XYNFIZBROLVKJZ-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001277226286 1096963362 /nfs/dbraw/zinc/96/33/62/1096963362.db2.gz VIRORPIYEWSXHK-NTDBWNAOSA-N 0 3 322.493 3.057 20 30 DGEDHN CCCCCCCCN1CC2(C1)SCC[C@@H]2C(=O)N(C)C ZINC001277232037 1096969931 /nfs/dbraw/zinc/96/99/31/1096969931.db2.gz SVMVRJQFGHSBTE-OAHLLOKOSA-N 0 3 312.523 3.243 20 30 DGEDHN N=C(N[C@H]1Cc2cccc(F)c2C1)c1ccc2ccccc2n1 ZINC001171782434 1096976607 /nfs/dbraw/zinc/97/66/07/1096976607.db2.gz AGMGDFDZUVDEHA-AWEZNQCLSA-N 0 3 305.356 3.247 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC2(CCN2C2CCCC2)C1 ZINC001277238180 1096985359 /nfs/dbraw/zinc/98/53/59/1096985359.db2.gz CSAXFKYGEUDQGZ-UHFFFAOYSA-N 0 3 309.457 3.323 20 30 DGEDHN C=CCN(CCOc1ccc(F)c(Cl)c1)[C@H](C)COC ZINC001171916055 1097000878 /nfs/dbraw/zinc/00/08/78/1097000878.db2.gz JQXQFTSEEWULDY-GFCCVEGCSA-N 0 3 301.789 3.381 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2ccccc2)CC1 ZINC001172308341 1097095644 /nfs/dbraw/zinc/09/56/44/1097095644.db2.gz JVWHYKXCWJAIAV-KRWDZBQOSA-N 0 3 305.425 3.311 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H]1CCc2ccccc2C1=O ZINC001172305435 1097095932 /nfs/dbraw/zinc/09/59/32/1097095932.db2.gz SGKNNWJHKJVIPW-AUUYWEPGSA-N 0 3 304.393 3.277 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NC(=N)c1ccc2ccccc2n1 ZINC001172298611 1097109826 /nfs/dbraw/zinc/10/98/26/1097109826.db2.gz ZCAHSHOWGQQYTO-CQSZACIVSA-N 0 3 314.392 3.443 20 30 DGEDHN CC(C)COc1cc(CN[C@@H](C)Cc2ccc(C#N)cc2)ncn1 ZINC001172300136 1097110112 /nfs/dbraw/zinc/11/01/12/1097110112.db2.gz RIHXMLZOLDUPPX-HNNXBMFYSA-N 0 3 324.428 3.104 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1ccccc1Cl ZINC001172299832 1097110157 /nfs/dbraw/zinc/11/01/57/1097110157.db2.gz ORPYPUCAEQGISZ-SCLBCKFNSA-N 0 3 314.816 3.466 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001277297985 1097116871 /nfs/dbraw/zinc/11/68/71/1097116871.db2.gz AVXBMPVCFOSGLZ-OLZOCXBDSA-N 0 3 314.882 3.479 20 30 DGEDHN CC[C@@H](C)OCC[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001172337909 1097117442 /nfs/dbraw/zinc/11/74/42/1097117442.db2.gz LMPZBNWNZLXMRB-DLBZAZTESA-N 0 3 315.461 3.274 20 30 DGEDHN C=CCc1cc(OC)c(O[C@H]2CCCN(CC)C2)c(OC)c1 ZINC001228427187 1097119280 /nfs/dbraw/zinc/11/92/80/1097119280.db2.gz CKTAJNOFTRPBQS-HNNXBMFYSA-N 0 3 305.418 3.295 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C)cc1F ZINC001277305874 1097131943 /nfs/dbraw/zinc/13/19/43/1097131943.db2.gz OETWRMXMAGEVFY-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN CCOCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172430295 1097139139 /nfs/dbraw/zinc/13/91/39/1097139139.db2.gz GGNMSMRECJMXSU-OAHLLOKOSA-N 0 3 304.409 3.498 20 30 DGEDHN CCCc1cc(C)nc(O[C@@H]2CCCN(C(C)C)C2)c1C#N ZINC001228600132 1097150230 /nfs/dbraw/zinc/15/02/30/1097150230.db2.gz XEYNPUMIELUORD-MRXNPFEDSA-N 0 3 301.434 3.466 20 30 DGEDHN C[C@@H](CCCC#N)N1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001172506842 1097174154 /nfs/dbraw/zinc/17/41/54/1097174154.db2.gz KJLWLJJOGCMIKJ-QWRGUYRKSA-N 0 3 316.327 3.350 20 30 DGEDHN Cc1cc(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)ccc1C#N ZINC001229213734 1097277031 /nfs/dbraw/zinc/27/70/31/1097277031.db2.gz ZPVASEKJEBGBBJ-MAUKXSAKSA-N 0 3 307.397 3.476 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001277382803 1097310638 /nfs/dbraw/zinc/31/06/38/1097310638.db2.gz RXAGLLNIMWEBSE-MLGOLLRUSA-N 0 3 310.869 3.098 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)CCCCCC)CC1 ZINC001229697338 1097367017 /nfs/dbraw/zinc/36/70/17/1097367017.db2.gz SZIPVJMCOLNJAN-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN CCCCCCCC[C@@H](CCC)N1CC(N2CCNC(=O)C2)C1 ZINC001173310514 1097407912 /nfs/dbraw/zinc/40/79/12/1097407912.db2.gz WJLKRBNZHZWWQY-QGZVFWFLSA-N 0 3 323.525 3.022 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001277431256 1097411537 /nfs/dbraw/zinc/41/15/37/1097411537.db2.gz BJYFMDFERLTAPP-HDICACEKSA-N 0 3 304.478 3.476 20 30 DGEDHN C=CCOC1CCC(N2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001173322720 1097417276 /nfs/dbraw/zinc/41/72/76/1097417276.db2.gz JTZJUGRONYTTLM-IOJLRTSASA-N 0 3 315.457 3.444 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)s1)C2 ZINC001095119217 1097428350 /nfs/dbraw/zinc/42/83/50/1097428350.db2.gz XHZBYMSSACCOKQ-ILXRZTDVSA-N 0 3 304.459 3.358 20 30 DGEDHN CCN1CCC[C@@H](Oc2cccc(Br)c2C#N)C1 ZINC001230323524 1097475648 /nfs/dbraw/zinc/47/56/48/1097475648.db2.gz QJLTZWNXPBSCDN-LLVKDONJSA-N 0 3 309.207 3.184 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001230384257 1097484190 /nfs/dbraw/zinc/48/41/90/1097484190.db2.gz BQBNFPVZRRLBSW-GOSISDBHSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001230399038 1097487958 /nfs/dbraw/zinc/48/79/58/1097487958.db2.gz HRVPXSGYZTZCCX-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230587931 1097521455 /nfs/dbraw/zinc/52/14/55/1097521455.db2.gz ZOEJGHPBWMXPNG-HNNXBMFYSA-N 0 3 316.848 3.192 20 30 DGEDHN C=C(C)CN(CCCNC(=O)/C=C(/C)CC)Cc1cccnc1 ZINC001230751726 1097573986 /nfs/dbraw/zinc/57/39/86/1097573986.db2.gz TVWUIYQPIVRECB-ATVHPVEESA-N 0 3 315.461 3.322 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001230786770 1097586080 /nfs/dbraw/zinc/58/60/80/1097586080.db2.gz YACWURZTCFSVID-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001230786770 1097586082 /nfs/dbraw/zinc/58/60/82/1097586082.db2.gz YACWURZTCFSVID-MRXNPFEDSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230939836 1097627313 /nfs/dbraw/zinc/62/73/13/1097627313.db2.gz VDJAHIXZRGXVLM-MRXNPFEDSA-N 0 3 312.523 3.409 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@@H](C)CCC)C2)CC1 ZINC001277482966 1097658847 /nfs/dbraw/zinc/65/88/47/1097658847.db2.gz QUNSGJRXOUNDNX-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCCC1CCOCC1 ZINC001231168787 1097685867 /nfs/dbraw/zinc/68/58/67/1097685867.db2.gz ARMPDQXOIPCVHS-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCc1cccc(F)c1 ZINC001231170578 1097686782 /nfs/dbraw/zinc/68/67/82/1097686782.db2.gz QZOLUDRWZNURKK-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1Cc1cccc2ccccc21 ZINC001231246669 1097701792 /nfs/dbraw/zinc/70/17/92/1097701792.db2.gz HORJQJTZXMXYQJ-QAPCUYQASA-N 0 3 321.424 3.032 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cnn(CC)c1 ZINC001231262748 1097707468 /nfs/dbraw/zinc/70/74/68/1097707468.db2.gz HWSSXVVMUDJNBG-KRWDZBQOSA-N 0 3 320.481 3.020 20 30 DGEDHN COC(=O)[C@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231576733 1097781842 /nfs/dbraw/zinc/78/18/42/1097781842.db2.gz HMOLFLBFGCMACW-FQEVSTJZSA-N 0 3 319.404 3.081 20 30 DGEDHN CC(=O)[C@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578405 1097782424 /nfs/dbraw/zinc/78/24/24/1097782424.db2.gz MUPACSVFWVGDMP-FQEVSTJZSA-N 0 3 303.405 3.497 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](C(=O)OC)CC2)c1 ZINC001231624199 1097795003 /nfs/dbraw/zinc/79/50/03/1097795003.db2.gz CDXPNRMNMMZPCM-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN C#Cc1cccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC001231658996 1097807298 /nfs/dbraw/zinc/80/72/98/1097807298.db2.gz CRFZBEMGWDACNF-UHFFFAOYSA-N 0 3 324.468 3.283 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@H](Oc3cc(C)ccn3)C2)c1 ZINC001231663204 1097808316 /nfs/dbraw/zinc/80/83/16/1097808316.db2.gz LQDCORQZAFYSAT-IBGZPJMESA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1cccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1 ZINC001231662879 1097808592 /nfs/dbraw/zinc/80/85/92/1097808592.db2.gz KLEVHZDSLJRNJC-SFTDATJTSA-N 0 3 302.421 3.127 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@H](Oc3cccc(OC)n3)C2)c1 ZINC001231664375 1097808729 /nfs/dbraw/zinc/80/87/29/1097808729.db2.gz PTNFDVKQCIZSLJ-SFHVURJKSA-N 0 3 322.408 3.115 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3ncccc3C)C2)c1 ZINC001231662614 1097808848 /nfs/dbraw/zinc/80/88/48/1097808848.db2.gz FCOHYWNKLQVEDO-LJQANCHMSA-N 0 3 306.409 3.415 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001174849171 1097867538 /nfs/dbraw/zinc/86/75/38/1097867538.db2.gz KGIURFPOMAIZRH-LSDHHAIUSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](NCc1nocc1C)C(C)C ZINC001277582692 1097882444 /nfs/dbraw/zinc/88/24/44/1097882444.db2.gz SOENUKKVIXELLW-OAHLLOKOSA-N 0 3 321.465 3.206 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001174987376 1097918206 /nfs/dbraw/zinc/91/82/06/1097918206.db2.gz OBLORBMBQBYROA-AWEZNQCLSA-N 0 3 307.438 3.104 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001232278480 1097989762 /nfs/dbraw/zinc/98/97/62/1097989762.db2.gz OAEUCIWZSILLEL-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN C[C@@H]1CN(Cc2cc(C#N)ccn2)[C@H](C)CN1Cc1ccccc1 ZINC001232481864 1098054479 /nfs/dbraw/zinc/05/44/79/1098054479.db2.gz JSJIFGAMNWMTBP-IAGOWNOFSA-N 0 3 320.440 3.048 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)s1 ZINC001232844715 1098152005 /nfs/dbraw/zinc/15/20/05/1098152005.db2.gz ALIUQFXKTLMMQI-GASCZTMLSA-N 0 3 309.438 3.188 20 30 DGEDHN C[C@@H]1CN(Cc2cccc(C#N)n2)[C@H](C)CN1Cc1ccccc1 ZINC001232927339 1098175047 /nfs/dbraw/zinc/17/50/47/1098175047.db2.gz ZXIPLRRTMUWNKB-IAGOWNOFSA-N 0 3 320.440 3.048 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCCN(Cc2ccc(C)cc2C#N)C1 ZINC001232963286 1098184346 /nfs/dbraw/zinc/18/43/46/1098184346.db2.gz DSPUAXHQJZILJD-LJQANCHMSA-N 0 3 314.429 3.422 20 30 DGEDHN C#Cc1cccc(Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC001175977724 1098217818 /nfs/dbraw/zinc/21/78/18/1098217818.db2.gz ZREZGPAJFPZAJU-UHFFFAOYSA-N 0 3 305.425 3.159 20 30 DGEDHN Cc1cncnc1O[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233083516 1098222068 /nfs/dbraw/zinc/22/20/68/1098222068.db2.gz OGWKDBDVLCVMRB-GOSISDBHSA-N 0 3 322.412 3.009 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)CCCC(=O)c1cccnc1 ZINC001233082993 1098222634 /nfs/dbraw/zinc/22/26/34/1098222634.db2.gz OCHXOHKBLXLRHX-UHFFFAOYSA-N 0 3 307.397 3.357 20 30 DGEDHN CCCCOC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC001233084019 1098223800 /nfs/dbraw/zinc/22/38/00/1098223800.db2.gz LUZZMYPQYUATBD-KRWDZBQOSA-N 0 3 300.402 3.032 20 30 DGEDHN CN(C)c1ccc(CN2CC[C@@H](c3ccncc3)C2)c(F)c1C#N ZINC001233101291 1098227288 /nfs/dbraw/zinc/22/72/88/1098227288.db2.gz VMBNXHLXYJLLQY-OAHLLOKOSA-N 0 3 324.403 3.148 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001233500946 1098353729 /nfs/dbraw/zinc/35/37/29/1098353729.db2.gz LXQQGFJXFYGHFL-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCc1ccoc1 ZINC001233590710 1098384999 /nfs/dbraw/zinc/38/49/99/1098384999.db2.gz QYVODXFYXCUZDD-GOSISDBHSA-N 0 3 318.461 3.491 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001233634444 1098394288 /nfs/dbraw/zinc/39/42/88/1098394288.db2.gz LOBBTBFPONCPRZ-IRXDYDNUSA-N 0 3 310.482 3.059 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001233634440 1098394625 /nfs/dbraw/zinc/39/46/25/1098394625.db2.gz LOBBTBFPONCPRZ-DLBZAZTESA-N 0 3 310.482 3.059 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Oc1cnc(C#N)nc1 ZINC001233709266 1098414338 /nfs/dbraw/zinc/41/43/38/1098414338.db2.gz GKSSRUPCLFAPDL-QGZVFWFLSA-N 0 3 322.412 3.028 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CCCCCC=C ZINC001233762018 1098425208 /nfs/dbraw/zinc/42/52/08/1098425208.db2.gz OYHPULCMBHMDRY-GOSISDBHSA-N 0 3 304.478 3.459 20 30 DGEDHN N#CC[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761127 1098425552 /nfs/dbraw/zinc/42/55/52/1098425552.db2.gz QFBBHKXXPDONPV-LLVKDONJSA-N 0 3 314.307 3.416 20 30 DGEDHN N#CC[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761127 1098425555 /nfs/dbraw/zinc/42/55/55/1098425555.db2.gz QFBBHKXXPDONPV-LLVKDONJSA-N 0 3 314.307 3.416 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2conc2C)CCCCC1 ZINC001176782254 1098429987 /nfs/dbraw/zinc/42/99/87/1098429987.db2.gz YBKGSMUTNMFQIB-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1 ZINC001233801599 1098434212 /nfs/dbraw/zinc/43/42/12/1098434212.db2.gz QZXMVKPKVBSGHV-MJGOQNOKSA-N 0 3 312.457 3.474 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001277810616 1098439184 /nfs/dbraw/zinc/43/91/84/1098439184.db2.gz NTJVQOKVQKOFOS-ZDUSSCGKSA-N 0 3 324.827 3.075 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233872893 1098446501 /nfs/dbraw/zinc/44/65/01/1098446501.db2.gz OLTYUXOOFGSAHV-KRWDZBQOSA-N 0 3 304.434 3.101 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCOCC1 ZINC001233937091 1098461707 /nfs/dbraw/zinc/46/17/07/1098461707.db2.gz LDTSJKWGFYIAFO-ZWKOTPCHSA-N 0 3 324.509 3.306 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)CC1 ZINC001177090861 1098476716 /nfs/dbraw/zinc/47/67/16/1098476716.db2.gz DVLPNCHKKMXRSR-DNVCBOLYSA-N 0 3 304.478 3.053 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N2CC[C@H]2CN(C)C(=O)C#CC2CC2)c1 ZINC001234196965 1098512781 /nfs/dbraw/zinc/51/27/81/1098512781.db2.gz WZOVZJYSHSABHZ-HKUYNNGSSA-N 0 3 324.468 3.311 20 30 DGEDHN CCC/C=C\CCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206197 1098514733 /nfs/dbraw/zinc/51/47/33/1098514733.db2.gz OPWLIDLBMZQNOQ-JJEJIETFSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234246642 1098521617 /nfs/dbraw/zinc/52/16/17/1098521617.db2.gz RUPYKCMZXAAJJR-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](OCC)C1=CCCC1 ZINC001234322147 1098536914 /nfs/dbraw/zinc/53/69/14/1098536914.db2.gz FYEDOKQCZPBOAT-QZTJIDSGSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCCc1cccs1 ZINC001177491942 1098542296 /nfs/dbraw/zinc/54/22/96/1098542296.db2.gz BHIDMWOGJRJHAC-HNNXBMFYSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001277859034 1098561996 /nfs/dbraw/zinc/56/19/96/1098561996.db2.gz RNYGRFJRLLUPRY-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1csc(C)c1C ZINC001234500917 1098572322 /nfs/dbraw/zinc/57/23/22/1098572322.db2.gz ZEVDTFYCEILJSS-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001234517055 1098577156 /nfs/dbraw/zinc/57/71/56/1098577156.db2.gz IIXRXQIOBQPWBP-QGZVFWFLSA-N 0 3 310.457 3.427 20 30 DGEDHN CCCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001177759361 1098601987 /nfs/dbraw/zinc/60/19/87/1098601987.db2.gz SHPNBIROMCXWNR-UHFFFAOYSA-N 0 3 301.434 3.125 20 30 DGEDHN CC(C)CC(=O)NCCCCCCNCc1ccccc1C#N ZINC001177789428 1098613895 /nfs/dbraw/zinc/61/38/95/1098613895.db2.gz MKZUUVCBNZAWDT-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1C[C@@H](OC)C1CCCC1 ZINC001234614505 1098619330 /nfs/dbraw/zinc/61/93/30/1098619330.db2.gz SWAICMRTJAFJPK-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1C[C@@H](OC)C1CCCC1 ZINC001234614508 1098619977 /nfs/dbraw/zinc/61/99/77/1098619977.db2.gz SWAICMRTJAFJPK-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2c(o1)CCCC2 ZINC001235161624 1098847317 /nfs/dbraw/zinc/84/73/17/1098847317.db2.gz VEHILJJAZCVVLQ-MRXNPFEDSA-N 0 3 316.445 3.271 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCCCCNCc1ocnc1C ZINC001178579762 1098864935 /nfs/dbraw/zinc/86/49/35/1098864935.db2.gz GCTZNYFNKJBWCX-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C(C)CCC(=O)NCCCCCCNCc1nccn1CC ZINC001178596407 1098865296 /nfs/dbraw/zinc/86/52/96/1098865296.db2.gz MXLSDIYKEJVVKX-UHFFFAOYSA-N 0 3 320.481 3.026 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178566414 1098874056 /nfs/dbraw/zinc/87/40/56/1098874056.db2.gz BGLDKTNJZTYCED-WWGRRREGSA-N 0 3 319.474 3.135 20 30 DGEDHN C=C(C)CN(CC)Cc1cnc2cc(Br)ccn12 ZINC001235287080 1098941672 /nfs/dbraw/zinc/94/16/72/1098941672.db2.gz YCKHQFOIWQLNAJ-UHFFFAOYSA-N 0 3 308.223 3.495 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001235469488 1099054435 /nfs/dbraw/zinc/05/44/35/1099054435.db2.gz FQXVCGYLFIKSDX-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CCCCC#N ZINC001277947940 1099058134 /nfs/dbraw/zinc/05/81/34/1099058134.db2.gz BAQZXLUCCGVFQO-QRVBRYPASA-N 0 3 321.509 3.282 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCCCCNCc1nccs1 ZINC001179306707 1099059078 /nfs/dbraw/zinc/05/90/78/1099059078.db2.gz KKIBPEMWRDLSFW-LSDHHAIUSA-N 0 3 323.506 3.368 20 30 DGEDHN N#CCc1ccccc1CN1CCN(CCc2ccccc2)CC1 ZINC001235523255 1099071744 /nfs/dbraw/zinc/07/17/44/1099071744.db2.gz PCDGJXRDZZUDIE-UHFFFAOYSA-N 0 3 319.452 3.113 20 30 DGEDHN CCc1nc(C2CCN(Cc3ccccc3CC#N)CC2)no1 ZINC001235526027 1099075762 /nfs/dbraw/zinc/07/57/62/1099075762.db2.gz UVGBLNFTNPZLIP-UHFFFAOYSA-N 0 3 310.401 3.078 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001179365325 1099084407 /nfs/dbraw/zinc/08/44/07/1099084407.db2.gz XRBDQAJJPTVCEB-IKGGRYGDSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001179452251 1099104225 /nfs/dbraw/zinc/10/42/25/1099104225.db2.gz PTRLRLMEUFPYGS-YOEHRIQHSA-N 0 3 304.409 3.261 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCCCCNCc2cc(C)no2)C1 ZINC001179532885 1099121069 /nfs/dbraw/zinc/12/10/69/1099121069.db2.gz AWDSBCXHPKUGGR-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001235725916 1099148983 /nfs/dbraw/zinc/14/89/83/1099148983.db2.gz VCGLPHZNCGKZDM-WFASDCNBSA-N 0 3 321.490 3.261 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCC1(C)CC1 ZINC001179841240 1099217042 /nfs/dbraw/zinc/21/70/42/1099217042.db2.gz UMCDBDCRRLPQSV-HKUYNNGSSA-N 0 3 324.468 3.197 20 30 DGEDHN Cc1nc2cc(CN3CCC4SC(=O)C=C4C3)ccc2s1 ZINC001235860929 1099224121 /nfs/dbraw/zinc/22/41/21/1099224121.db2.gz QEFGIABPEGZWLS-AWEZNQCLSA-N 0 3 316.451 3.379 20 30 DGEDHN CCc1cc(CN2CCN[C@@H](c3ccccc3)C2)ccc1C#N ZINC001235864416 1099224829 /nfs/dbraw/zinc/22/48/29/1099224829.db2.gz QOLPBRKAOJHEGR-HXUWFJFHSA-N 0 3 305.425 3.267 20 30 DGEDHN N#Cc1ccc2cc(CN3CCN[C@H](c4ccccc4)C3)[nH]c2c1 ZINC001235863593 1099226273 /nfs/dbraw/zinc/22/62/73/1099226273.db2.gz GHJNVOSCSBCEIS-FQEVSTJZSA-N 0 3 316.408 3.186 20 30 DGEDHN C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001180640416 1099480054 /nfs/dbraw/zinc/48/00/54/1099480054.db2.gz RDYQYNBROGEGBU-DNVCBOLYSA-N 0 3 316.445 3.046 20 30 DGEDHN N#Cc1nccc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236470118 1099629654 /nfs/dbraw/zinc/62/96/54/1099629654.db2.gz RWOKVHLPYOIKIG-SJORKVTESA-N 0 3 302.381 3.169 20 30 DGEDHN N#CCc1cncc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236470626 1099629794 /nfs/dbraw/zinc/62/97/94/1099629794.db2.gz HXWXCTWOYNIPSI-MOPGFXCFSA-N 0 3 316.408 3.363 20 30 DGEDHN N#Cc1cncc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236470434 1099629907 /nfs/dbraw/zinc/62/99/07/1099629907.db2.gz XCVYLTBKVKZZGL-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3ccc(C#N)cc3F)cn2)CC1 ZINC001236525077 1099660264 /nfs/dbraw/zinc/66/02/64/1099660264.db2.gz HLQCLVLRRGJSGW-UHFFFAOYSA-N 0 3 324.403 3.290 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](NC[C@@H](F)CC)C2)CCCCC1 ZINC001188053106 1099663822 /nfs/dbraw/zinc/66/38/22/1099663822.db2.gz NRAVCNCAFAPIKF-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN CC(C)(C)C#CC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001278051150 1099967948 /nfs/dbraw/zinc/96/79/48/1099967948.db2.gz GCZHDKIFHIQIFA-UHFFFAOYSA-N 0 3 318.486 3.268 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001189279980 1099999581 /nfs/dbraw/zinc/99/95/81/1099999581.db2.gz OQVMOLRINJMYSQ-KRWDZBQOSA-N 0 3 304.409 3.155 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N(C)[C@@H]2CCN(C)C2)c1 ZINC001189264011 1100009678 /nfs/dbraw/zinc/00/96/78/1100009678.db2.gz PKJGRZVDYIOUFB-QGZVFWFLSA-N 0 3 315.461 3.300 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001189319104 1100023885 /nfs/dbraw/zinc/02/38/85/1100023885.db2.gz UIWHQPVGOARBFB-INIZCTEOSA-N 0 3 304.409 3.133 20 30 DGEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2cccc(N)c2)C1 ZINC001237222930 1100037311 /nfs/dbraw/zinc/03/73/11/1100037311.db2.gz ZSEKVQULUZZYNQ-SFHVURJKSA-N 0 3 307.397 3.184 20 30 DGEDHN COC(=O)c1cc2cc(CN3CCC(C)(C#N)CC3)ccc2[nH]1 ZINC001237319167 1100075033 /nfs/dbraw/zinc/07/50/33/1100075033.db2.gz IWWBKESVPPTVJA-UHFFFAOYSA-N 0 3 311.385 3.080 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2cc(F)ccc2F)CC1 ZINC001278094868 1100117446 /nfs/dbraw/zinc/11/74/46/1100117446.db2.gz NZNQJGJVOBFMJF-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN N#Cc1cc(CN2CCC3(CC(OCC4CC4)C3)CC2)ccn1 ZINC001237462571 1100131728 /nfs/dbraw/zinc/13/17/28/1100131728.db2.gz HNDGJYQKDNIDMS-UHFFFAOYSA-N 0 3 311.429 3.124 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001189910438 1100148257 /nfs/dbraw/zinc/14/82/57/1100148257.db2.gz PDJWNOATBLDEGD-QGZVFWFLSA-N 0 3 324.424 3.269 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001189925903 1100151906 /nfs/dbraw/zinc/15/19/06/1100151906.db2.gz HYDXGEUHCUKFBN-CRAIPNDOSA-N 0 3 316.420 3.223 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001189925694 1100152348 /nfs/dbraw/zinc/15/23/48/1100152348.db2.gz DXAYLSCXDWFJGR-MAUKXSAKSA-N 0 3 316.420 3.223 20 30 DGEDHN Cc1ccc(CCN(C)Cc2cn3cc(C#N)ccc3n2)cc1 ZINC001237614553 1100187780 /nfs/dbraw/zinc/18/77/80/1100187780.db2.gz QAYMYIIWYDJWAA-UHFFFAOYSA-N 0 3 304.397 3.189 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001190398627 1100259622 /nfs/dbraw/zinc/25/96/22/1100259622.db2.gz ZJAKXMZZPALZJH-KRWDZBQOSA-N 0 3 318.436 3.461 20 30 DGEDHN CC(C)Oc1cccc(CN2CCC3SC(=O)C=C3C2)c1F ZINC001238422308 1100438121 /nfs/dbraw/zinc/43/81/21/1100438121.db2.gz HQSOHSFSPVVZMD-HNNXBMFYSA-N 0 3 321.417 3.387 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ncc(C)cc1C)C2 ZINC001238428952 1100441057 /nfs/dbraw/zinc/44/10/57/1100441057.db2.gz KTXNKUJWQIRXPX-HKUYNNGSSA-N 0 3 316.445 3.025 20 30 DGEDHN CCc1cc(CN2CCC(c3ccn(C)n3)CC2)ccc1C#N ZINC001238769435 1100524942 /nfs/dbraw/zinc/52/49/42/1100524942.db2.gz SWKXGHWXGPJMNL-UHFFFAOYSA-N 0 3 308.429 3.234 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191867426 1100536579 /nfs/dbraw/zinc/53/65/79/1100536579.db2.gz BCBHNRLMDRWGKL-CRAIPNDOSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001192170421 1100581338 /nfs/dbraw/zinc/58/13/38/1100581338.db2.gz LKWKSIJCVJVRBI-IEBWSBKVSA-N 0 3 324.509 3.184 20 30 DGEDHN N#Cc1ccnc(CN[C@H](c2ccccc2)C2CCOCC2)c1 ZINC001192834551 1100669589 /nfs/dbraw/zinc/66/95/89/1100669589.db2.gz SBJUNTAQBOZMMT-LJQANCHMSA-N 0 3 307.397 3.211 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001193433142 1100745913 /nfs/dbraw/zinc/74/59/13/1100745913.db2.gz QAZCRFDLEDDTFG-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN CN1CCC(Oc2ccnc(-c3ccc(C#N)c(F)c3)c2)CC1 ZINC001240149951 1100879765 /nfs/dbraw/zinc/87/97/65/1100879765.db2.gz NHNRRGGJQDDIGU-UHFFFAOYSA-N 0 3 311.360 3.232 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC001194190485 1100889745 /nfs/dbraw/zinc/88/97/45/1100889745.db2.gz FTBGPSFJUFTFPR-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194192712 1100891490 /nfs/dbraw/zinc/89/14/90/1100891490.db2.gz WGRGRFWHWHMDGB-INIZCTEOSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2cc(C)sc2C)C1 ZINC001194325320 1100913896 /nfs/dbraw/zinc/91/38/96/1100913896.db2.gz IXXSUBOGRJQPDT-QGZVFWFLSA-N 0 3 320.502 3.406 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cccc(F)c3CC#N)c2)CC1 ZINC001240304414 1100932973 /nfs/dbraw/zinc/93/29/73/1100932973.db2.gz ARPJRYKVRGUXJN-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN N#Cc1c[nH]c2nc(C3=CCCN(Cc4ccccc4)C3)ncc12 ZINC001240386002 1100969698 /nfs/dbraw/zinc/96/96/98/1100969698.db2.gz VRGHBCROPVOZDI-UHFFFAOYSA-N 0 3 315.380 3.119 20 30 DGEDHN N#CCOc1ccc(C2=CCCN(Cc3ccccc3)C2)nc1 ZINC001240386625 1100970683 /nfs/dbraw/zinc/97/06/83/1100970683.db2.gz FDUFITBWTFGVTG-UHFFFAOYSA-N 0 3 305.381 3.273 20 30 DGEDHN CCCCCCCCCOC(=O)N1CCO[C@H](CN(C)C)C1 ZINC001194910952 1101035863 /nfs/dbraw/zinc/03/58/63/1101035863.db2.gz AERZBNNARIGMIK-MRXNPFEDSA-N 0 3 314.470 3.136 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC/C=C/CCC)CC1 ZINC001195175045 1101092743 /nfs/dbraw/zinc/09/27/43/1101092743.db2.gz YUAXKWAHRAXGAV-GFOMBABLSA-N 0 3 322.493 3.248 20 30 DGEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2cccc(C#N)c2)C1 ZINC001195249999 1101105263 /nfs/dbraw/zinc/10/52/63/1101105263.db2.gz IWZJVRNKMKRHEC-PBHICJAKSA-N 0 3 314.429 3.358 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1 ZINC001195463030 1101138918 /nfs/dbraw/zinc/13/89/18/1101138918.db2.gz FXOUVKIUBWGOEZ-GOSISDBHSA-N 0 3 324.468 3.221 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001195434231 1101141812 /nfs/dbraw/zinc/14/18/12/1101141812.db2.gz JSESCMKZFHHDDO-UHFFFAOYSA-N 0 3 316.449 3.005 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc3c(o2)CCCC3)CC1 ZINC001196107369 1101243674 /nfs/dbraw/zinc/24/36/74/1101243674.db2.gz MOXXGMZBHYZCDN-UHFFFAOYSA-N 0 3 316.445 3.273 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccsc2COC)CC1 ZINC001196288056 1101282018 /nfs/dbraw/zinc/28/20/18/1101282018.db2.gz MBOFBTARBAJDOM-UHFFFAOYSA-N 0 3 322.474 3.009 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cccnc2C(F)F)CC1 ZINC001196462690 1101323791 /nfs/dbraw/zinc/32/37/91/1101323791.db2.gz SCEPHDZOIGLYFL-UHFFFAOYSA-N 0 3 323.387 3.133 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196854765 1101418539 /nfs/dbraw/zinc/41/85/39/1101418539.db2.gz TWWYZLBFVUBAME-IAGOWNOFSA-N 0 3 304.478 3.479 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC001196926713 1101427298 /nfs/dbraw/zinc/42/72/98/1101427298.db2.gz XSGQUDIAALTKLR-UHFFFAOYSA-N 0 3 312.360 3.331 20 30 DGEDHN CCN1CC=C(c2cnc(-c3ccc(C#N)nc3)c(C)c2)CC1 ZINC001241421630 1101447921 /nfs/dbraw/zinc/44/79/21/1101447921.db2.gz OTKJEXOPVDFCCG-UHFFFAOYSA-N 0 3 304.397 3.433 20 30 DGEDHN C=CCCC1(C(=O)N2CCCN(CCCCCF)CC2)CC1 ZINC001197062866 1101467034 /nfs/dbraw/zinc/46/70/34/1101467034.db2.gz YZGNAXCPFGVPIP-UHFFFAOYSA-N 0 3 310.457 3.407 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCCCC(C)C)C1 ZINC001197066897 1101468319 /nfs/dbraw/zinc/46/83/19/1101468319.db2.gz JDTJMZIIPDWBFD-QZTJIDSGSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001197230419 1101502825 /nfs/dbraw/zinc/50/28/25/1101502825.db2.gz SEUVCCNGZWYKBE-IAGOWNOFSA-N 0 3 324.509 3.111 20 30 DGEDHN C[C@H](c1ccccc1)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001197348436 1101536095 /nfs/dbraw/zinc/53/60/95/1101536095.db2.gz FPLOSNYTCRLBNP-GOSISDBHSA-N 0 3 319.452 3.480 20 30 DGEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001197715935 1101635921 /nfs/dbraw/zinc/63/59/21/1101635921.db2.gz NXEBQXISBINGDQ-RCCFBDPRSA-N 0 3 324.509 3.111 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccc(C)c(C#N)n3)cc2)CC1 ZINC001241739624 1101671667 /nfs/dbraw/zinc/67/16/67/1101671667.db2.gz AIUQABQKHIDJBO-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001198002116 1101723413 /nfs/dbraw/zinc/72/34/13/1101723413.db2.gz IWIHZCLHVYAWHI-UHFFFAOYSA-N 0 3 306.372 3.075 20 30 DGEDHN C=CCO[C@H](C)C(=O)N1CCCN(CCCC2CCCC2)CC1 ZINC001198343882 1101825904 /nfs/dbraw/zinc/82/59/04/1101825904.db2.gz PALYTZIZALTQKM-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN Cc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc(C)n1 ZINC001241991392 1101838528 /nfs/dbraw/zinc/83/85/28/1101838528.db2.gz CCLWRWZDFUYLKS-AWEZNQCLSA-N 0 3 324.384 3.104 20 30 DGEDHN C=CCC1(C(=O)N2CCCN(CC[C@@H](C)F)CC2)CCCC1 ZINC001198423958 1101850155 /nfs/dbraw/zinc/85/01/55/1101850155.db2.gz XJWRCOOZTMUIAI-MRXNPFEDSA-N 0 3 310.457 3.405 20 30 DGEDHN CCCCCCCN[C@H](CNC(C)=O)c1ccccc1OC ZINC001198461753 1101865526 /nfs/dbraw/zinc/86/55/26/1101865526.db2.gz AQXJOYTYKLUQLK-QGZVFWFLSA-N 0 3 306.450 3.432 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)CC1CC1)c1ccccc1OC ZINC001198481983 1101887039 /nfs/dbraw/zinc/88/70/39/1101887039.db2.gz LXBZVLMGWWRCGH-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1F ZINC001198525816 1101891719 /nfs/dbraw/zinc/89/17/19/1101891719.db2.gz NTFLYDPEVFPFRR-CYBMUJFWSA-N 0 3 308.784 3.295 20 30 DGEDHN C=CCC[C@@H](C)N[C@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198544839 1101915117 /nfs/dbraw/zinc/91/51/17/1101915117.db2.gz VYDXUMKJFJWXDT-NVXWUHKLSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCN[C@H](CNC(=O)/C(C)=C/CC)c1ccccc1OC ZINC001198584966 1101930726 /nfs/dbraw/zinc/93/07/26/1101930726.db2.gz OTGXRXUKPGIQKB-IUYQLWOBSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C(F)=C(C)C)c1ccccc1OC ZINC001198654910 1101943675 /nfs/dbraw/zinc/94/36/75/1101943675.db2.gz AOCCSGZHEBOSCX-OAHLLOKOSA-N 0 3 320.408 3.282 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCCCF)c1ccccc1OC ZINC001198752654 1101977698 /nfs/dbraw/zinc/97/76/98/1101977698.db2.gz SIGRYXVPHDRCFU-INIZCTEOSA-N 0 3 322.424 3.158 20 30 DGEDHN C=CCCN[C@H](CNC(=O)CC1(C)CC1)c1ccccc1OC ZINC001198805986 1101994987 /nfs/dbraw/zinc/99/49/87/1101994987.db2.gz OINMIOWUFIRTOY-MRXNPFEDSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198855602 1102001249 /nfs/dbraw/zinc/00/12/49/1102001249.db2.gz DKTQHRGTZHOLGQ-GDBMZVCRSA-N 0 3 304.434 3.064 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198857618 1102004635 /nfs/dbraw/zinc/00/46/35/1102004635.db2.gz SQOCUMPZQXEDLU-QGZVFWFLSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C1(CC)CC1)c1ccccc1OC ZINC001198885266 1102023409 /nfs/dbraw/zinc/02/34/09/1102023409.db2.gz CDPSVVSTBQAWMO-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198885360 1102023476 /nfs/dbraw/zinc/02/34/76/1102023476.db2.gz FOJFRRFPUYXIAS-LPHOPBHVSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198915795 1102027683 /nfs/dbraw/zinc/02/76/83/1102027683.db2.gz BCFMGIHFUIMDGR-MRXNPFEDSA-N 0 3 318.461 3.453 20 30 DGEDHN C#Cc1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cc1 ZINC001242294851 1102035147 /nfs/dbraw/zinc/03/51/47/1102035147.db2.gz OIGNYFFUSGUYLH-FQEVSTJZSA-N 0 3 302.377 3.249 20 30 DGEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001199218011 1102086156 /nfs/dbraw/zinc/08/61/56/1102086156.db2.gz XDGSXQGMFXDTJZ-LMMKCTJWSA-N 0 3 324.509 3.111 20 30 DGEDHN Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110532805 1102138488 /nfs/dbraw/zinc/13/84/88/1102138488.db2.gz COKZGLFTCRTIBB-AQNXPRMDSA-N 0 3 324.468 3.184 20 30 DGEDHN CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110533845 1102147022 /nfs/dbraw/zinc/14/70/22/1102147022.db2.gz JFNBUHGERBDSST-AQNXPRMDSA-N 0 3 324.468 3.130 20 30 DGEDHN Cc1cc(C#N)ccc1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001242472817 1102153125 /nfs/dbraw/zinc/15/31/25/1102153125.db2.gz JHJJPDBVHQIBFB-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN Cc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1 ZINC001110541340 1102188308 /nfs/dbraw/zinc/18/83/08/1102188308.db2.gz GCGCCZUZBJEZPK-XLNTUCKNSA-N 0 3 322.452 3.191 20 30 DGEDHN Cc1cccc([C@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1 ZINC001110541339 1102188665 /nfs/dbraw/zinc/18/86/65/1102188665.db2.gz GCGCCZUZBJEZPK-OBZTUIKSSA-N 0 3 322.452 3.191 20 30 DGEDHN Cc1ccc(C#N)cc1-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001242543738 1102199660 /nfs/dbraw/zinc/19/96/60/1102199660.db2.gz IWRODXQQWGDXHU-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN N#Cc1cc(F)ccc1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001242585042 1102226303 /nfs/dbraw/zinc/22/63/03/1102226303.db2.gz FGYADMAPDNVJLD-LJQANCHMSA-N 0 3 321.355 3.278 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CCN(CCCC)C3=O)CC2)c1 ZINC001273792890 1102234323 /nfs/dbraw/zinc/23/43/23/1102234323.db2.gz ZVIBTVPISRNKJG-UHFFFAOYSA-N 0 3 324.468 3.283 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](F)CC ZINC001273826591 1102346371 /nfs/dbraw/zinc/34/63/71/1102346371.db2.gz ZYQPLIRXLWKQHL-QZTJIDSGSA-N 0 3 318.436 3.244 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1CC1CCCCC1 ZINC001201397440 1102568947 /nfs/dbraw/zinc/56/89/47/1102568947.db2.gz GFCMZVZZWZTGKM-QGZVFWFLSA-N 0 3 303.450 3.102 20 30 DGEDHN Cn1cnc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201474895 1102625121 /nfs/dbraw/zinc/62/51/21/1102625121.db2.gz OLVPHUNWJHJLPC-SJORKVTESA-N 0 3 319.412 3.024 20 30 DGEDHN CCCCCCCCCCN1CCN(CC(=O)OCC)CC1 ZINC001201852919 1102736951 /nfs/dbraw/zinc/73/69/51/1102736951.db2.gz SFFDRZHFSUMWME-UHFFFAOYSA-N 0 3 312.498 3.308 20 30 DGEDHN C=CCCCC(=O)N1CCC(NCc2nc(C)c(C)s2)CC1 ZINC001202266404 1102903385 /nfs/dbraw/zinc/90/33/85/1102903385.db2.gz CQXNRVRIFOTBSF-UHFFFAOYSA-N 0 3 321.490 3.197 20 30 DGEDHN CC(C)=CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202406208 1102972338 /nfs/dbraw/zinc/97/23/38/1102972338.db2.gz HCOWJIJWFKYUQA-MOPGFXCFSA-N 0 3 322.452 3.021 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC/C=C/c1ccccc1)C2 ZINC001111016440 1103017991 /nfs/dbraw/zinc/01/79/91/1103017991.db2.gz JBAJSEOUIBJRGM-MNKMEQRWSA-N 0 3 322.452 3.225 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001488646222 1103083253 /nfs/dbraw/zinc/08/32/53/1103083253.db2.gz AWWNZZXXTDKZAD-MRXNPFEDSA-N 0 3 304.434 3.481 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001488690273 1103109250 /nfs/dbraw/zinc/10/92/50/1103109250.db2.gz NXDJLTMFFGSSBM-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C[C@H]1CCN1C(C)C)c1ccccc1 ZINC001488694295 1103112253 /nfs/dbraw/zinc/11/22/53/1103112253.db2.gz UTHVSIUZFMKTFB-FUHWJXTLSA-N 0 3 300.446 3.287 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC3(CC3)CC1)C2 ZINC001095772013 1103139005 /nfs/dbraw/zinc/13/90/05/1103139005.db2.gz GULZCSSGEWBKOJ-IKGGRYGDSA-N 0 3 302.462 3.254 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001488782534 1103153687 /nfs/dbraw/zinc/15/36/87/1103153687.db2.gz XXFQFHDGFHJGKK-OKILXGFUSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[C@H](C)CC ZINC001325901460 1103158239 /nfs/dbraw/zinc/15/82/39/1103158239.db2.gz WTRAGOYCYSSROK-KZNAEPCWSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC1CCCCC1 ZINC001325916342 1103162440 /nfs/dbraw/zinc/16/24/40/1103162440.db2.gz ICVNXENJNNKEBJ-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001111313752 1103205008 /nfs/dbraw/zinc/20/50/08/1103205008.db2.gz SZADCFNPUWKHOI-TVFCKZIOSA-N 0 3 324.509 3.493 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C3CCC3)CCC1)C2 ZINC001095825652 1103225017 /nfs/dbraw/zinc/22/50/17/1103225017.db2.gz SDZYAPHKSZNFML-IKGGRYGDSA-N 0 3 302.462 3.254 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc3ccccc3o1)C2 ZINC001095842564 1103253233 /nfs/dbraw/zinc/25/32/33/1103253233.db2.gz RGDGOBZTVDOTQQ-NJAFHUGGSA-N 0 3 324.424 3.273 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC001326348780 1103284199 /nfs/dbraw/zinc/28/41/99/1103284199.db2.gz GVSSDXTZVAFWRE-ZDUSSCGKSA-N 0 3 322.836 3.351 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)s1)C2 ZINC001111420425 1103286480 /nfs/dbraw/zinc/28/64/80/1103286480.db2.gz DCISYCQEWQXIDW-KFWWJZLASA-N 0 3 319.474 3.061 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)[C@H]1C ZINC001489292463 1103342544 /nfs/dbraw/zinc/34/25/44/1103342544.db2.gz BXGNUCZHPOQHMH-ZACQAIPSSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CN(C)CCOC1CCC1 ZINC001489325639 1103360497 /nfs/dbraw/zinc/36/04/97/1103360497.db2.gz HHOLHOKGJRNZBS-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@H](C)CC(C)(C)C)C2)CC1 ZINC001326598258 1103381718 /nfs/dbraw/zinc/38/17/18/1103381718.db2.gz HXZXNROMNXKWLL-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1cncc(C)c1 ZINC001326736547 1103423994 /nfs/dbraw/zinc/42/39/94/1103423994.db2.gz QGDXNJLBERMEQJ-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114748026 1103424173 /nfs/dbraw/zinc/42/41/73/1103424173.db2.gz LNSYQLUPEGLRIV-WKCGWZECSA-N 0 3 316.420 3.289 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001114753193 1103426307 /nfs/dbraw/zinc/42/63/07/1103426307.db2.gz RWZZBMRUZSTOGU-DZFIZOCASA-N 0 3 316.420 3.037 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114791939 1103444758 /nfs/dbraw/zinc/44/47/58/1103444758.db2.gz LWMBBNHOHNQJQB-LHHMISFZSA-N 0 3 318.486 3.205 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001276333107 1103505209 /nfs/dbraw/zinc/50/52/09/1103505209.db2.gz DTYJWKPEMQGDDI-MSOLQXFVSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN(CCCNC(=O)[C@]1(C)CCC(C)=C(C)C1)C1CC1 ZINC001490393251 1103590296 /nfs/dbraw/zinc/59/02/96/1103590296.db2.gz OCFQNRKJTJDCLE-LJQANCHMSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccccc1C(C)(C)CC ZINC001327225452 1103591747 /nfs/dbraw/zinc/59/17/47/1103591747.db2.gz OAHCIIGPLHYWGM-UHFFFAOYSA-N 0 3 314.473 3.401 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC/C=C/c1ccccc1 ZINC001327257149 1103604240 /nfs/dbraw/zinc/60/42/40/1103604240.db2.gz CPWNKISRMMYUTD-NTEUORMPSA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC1CCCC1)C(C)C ZINC001114915192 1103631051 /nfs/dbraw/zinc/63/10/51/1103631051.db2.gz HDVUFYHBEVUPJB-WNRNVDISSA-N 0 3 304.478 3.071 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001095918997 1103653834 /nfs/dbraw/zinc/65/38/34/1103653834.db2.gz MXMYCCIECOMQRY-XGUBFFRZSA-N 0 3 312.404 3.110 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001490645761 1103675347 /nfs/dbraw/zinc/67/53/47/1103675347.db2.gz XAHBIBKWXUKPFG-WBMJQRKESA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001490605516 1103677197 /nfs/dbraw/zinc/67/71/97/1103677197.db2.gz GDUHTICBROEPQE-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CCC(C)(F)F)CC1 ZINC001490617087 1103682059 /nfs/dbraw/zinc/68/20/59/1103682059.db2.gz JICDURYUJBODHN-UHFFFAOYSA-N 0 3 302.409 3.311 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C#CC(C)(C)C)cc2C1 ZINC001327684678 1103703946 /nfs/dbraw/zinc/70/39/46/1103703946.db2.gz FWUYAQCQRRNKBU-UHFFFAOYSA-N 0 3 310.441 3.244 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cc(C)ccc1F)C1CC1 ZINC001490692742 1103706513 /nfs/dbraw/zinc/70/65/13/1103706513.db2.gz GDRBXRAWAPYYIZ-QGZVFWFLSA-N 0 3 318.436 3.331 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)cc(F)cc1F)C2 ZINC001095950625 1103709922 /nfs/dbraw/zinc/70/99/22/1103709922.db2.gz WOFPNOVAHVWJSA-UGFHNGPFSA-N 0 3 324.346 3.015 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(C)c1)C2 ZINC001095949440 1103711165 /nfs/dbraw/zinc/71/11/65/1103711165.db2.gz QIRRMZICGHYGJJ-PVAVHDDUSA-N 0 3 302.393 3.045 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCF)CC1 ZINC001490796670 1103748184 /nfs/dbraw/zinc/74/81/84/1103748184.db2.gz HFTRYXCVXXMEJF-OAGGEKHMSA-N 0 3 308.441 3.156 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C(C)C)nc1C)C2 ZINC001096131913 1103763946 /nfs/dbraw/zinc/76/39/46/1103763946.db2.gz ZZSKMRLMMVPRGK-ILXRZTDVSA-N 0 3 317.433 3.018 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C2 ZINC001096180505 1103779823 /nfs/dbraw/zinc/77/98/23/1103779823.db2.gz GPJNOMHVGHQAFJ-LDTOTXGLSA-N 0 3 324.468 3.097 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1Cl)C2 ZINC001096198675 1103783360 /nfs/dbraw/zinc/78/33/60/1103783360.db2.gz VDYRIXYQHBTQAB-KBMXLJTQSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C/Cc1ccccc1)C2 ZINC001110688503 1103789961 /nfs/dbraw/zinc/78/99/61/1103789961.db2.gz NYMPRHMYVPNNAK-JCHUFIKGSA-N 0 3 324.468 3.473 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 ZINC001096529960 1103858133 /nfs/dbraw/zinc/85/81/33/1103858133.db2.gz QHABUXKVCDDATQ-AABGKKOBSA-N 0 3 324.468 3.015 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001114348879 1103872734 /nfs/dbraw/zinc/87/27/34/1103872734.db2.gz SBZFNFKLZJLKJV-DZFIZOCASA-N 0 3 316.420 3.059 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccc2)CC1 ZINC001490809398 1103899797 /nfs/dbraw/zinc/89/97/97/1103899797.db2.gz QPYIYKJFFCSBTF-KDURUIRLSA-N 0 3 324.468 3.360 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C[C@H]1C ZINC001328294741 1103906058 /nfs/dbraw/zinc/90/60/58/1103906058.db2.gz LUQORYKXOJAQFD-UCHJRYNZSA-N 0 3 310.441 3.001 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C=C)c1ccccc1)C2 ZINC001111440374 1103954649 /nfs/dbraw/zinc/95/46/49/1103954649.db2.gz MESKXUIBUMHPIX-NBYUQASBSA-N 0 3 322.452 3.091 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001328467823 1103956402 /nfs/dbraw/zinc/95/64/02/1103956402.db2.gz GWFZELSNVXPLFZ-LZQZEXGQSA-N 0 3 312.457 3.324 20 30 DGEDHN N#CCOc1ccc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1 ZINC001137115374 1103989466 /nfs/dbraw/zinc/98/94/66/1103989466.db2.gz KYISJQQDMBUQBX-OALUTQOASA-N 0 3 318.376 3.001 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1ccccc1F ZINC001328780824 1104067508 /nfs/dbraw/zinc/06/75/08/1104067508.db2.gz OEFGYBUOOCWZPP-GJZGRUSLSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001202592651 1104070359 /nfs/dbraw/zinc/07/03/59/1104070359.db2.gz VHKQHGPSXCPYGO-SJORKVTESA-N 0 3 316.420 3.309 20 30 DGEDHN C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](C)NCc1ccc(C#N)s1 ZINC001328996653 1104119149 /nfs/dbraw/zinc/11/91/49/1104119149.db2.gz QIJSLGRAIQEVSQ-AYSSICMYSA-N 0 3 319.474 3.205 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NCc2ccccc2F)cc1 ZINC001329089305 1104149298 /nfs/dbraw/zinc/14/92/98/1104149298.db2.gz DBOUKIWJOHOGTQ-GJZGRUSLSA-N 0 3 324.399 3.104 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001278412148 1104152907 /nfs/dbraw/zinc/15/29/07/1104152907.db2.gz XCQBYAUUGUNKIB-XSLAGTTESA-N 0 3 304.478 3.051 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccc(C)cc2C)C1 ZINC001278414874 1104204101 /nfs/dbraw/zinc/20/41/01/1104204101.db2.gz UNDQGMXCLGPZPN-HXUWFJFHSA-N 0 3 314.473 3.393 20 30 DGEDHN Cc1ccc(C)c(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001202760017 1104210000 /nfs/dbraw/zinc/21/00/00/1104210000.db2.gz JLMZQUDKGYYLQO-AWEZNQCLSA-N 0 3 302.399 3.109 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C#N)cc1C ZINC001274030246 1104227542 /nfs/dbraw/zinc/22/75/42/1104227542.db2.gz HJOKLXMOOAHERR-HXUWFJFHSA-N 0 3 323.440 3.010 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)cc1 ZINC001329428363 1104261279 /nfs/dbraw/zinc/26/12/79/1104261279.db2.gz QHYPEKVYTHHVFU-LSDHHAIUSA-N 0 3 304.409 3.127 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329524603 1104298827 /nfs/dbraw/zinc/29/88/27/1104298827.db2.gz QWPQMGFYFSDPSV-CYBMUJFWSA-N 0 3 308.853 3.489 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329524604 1104299190 /nfs/dbraw/zinc/29/91/90/1104299190.db2.gz QWPQMGFYFSDPSV-ZDUSSCGKSA-N 0 3 308.853 3.489 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001274531889 1104406913 /nfs/dbraw/zinc/40/69/13/1104406913.db2.gz TYNAWBBFSDFZCL-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C/C=C/c1ccccc1 ZINC001274626214 1104426212 /nfs/dbraw/zinc/42/62/12/1104426212.db2.gz YBIHIIUJUIKBHS-KZJOSYIESA-N 0 3 322.452 3.082 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001278434916 1104428526 /nfs/dbraw/zinc/42/85/26/1104428526.db2.gz YOGKVZZIJKSNKZ-FXAWDEMLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)COC1CCC(C)CC1 ZINC001329950818 1104435021 /nfs/dbraw/zinc/43/50/21/1104435021.db2.gz DJANYGVJZOYHDL-ADKAHSJRSA-N 0 3 322.493 3.129 20 30 DGEDHN C[C@H](CNC1c2ccccc2-c2ccccc21)NC(=O)[C@@H](C)C#N ZINC001274702174 1104463467 /nfs/dbraw/zinc/46/34/67/1104463467.db2.gz PZBOVNMJQSJCNI-UONOGXRCSA-N 0 3 319.408 3.010 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001274739445 1104476189 /nfs/dbraw/zinc/47/61/89/1104476189.db2.gz APMJCJWMZVOLGX-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](CC)CC(F)(F)F ZINC001274815730 1104501262 /nfs/dbraw/zinc/50/12/62/1104501262.db2.gz KDHVLMQPECWDDN-WDEREUQCSA-N 0 3 314.779 3.202 20 30 DGEDHN CC1(CC(=O)N2CCCC[C@H]2CNCC#Cc2ccccc2)CC1 ZINC001275013321 1104575644 /nfs/dbraw/zinc/57/56/44/1104575644.db2.gz DLLPCDKOVNNYTL-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001275077512 1104615340 /nfs/dbraw/zinc/61/53/40/1104615340.db2.gz AQNYPTSCAZUNFE-HNNXBMFYSA-N 0 3 320.864 3.366 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001330686724 1104617930 /nfs/dbraw/zinc/61/79/30/1104617930.db2.gz QOZGQLGNJQYTIP-DZKIICNBSA-N 0 3 306.837 3.027 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)CCc1ccccc1F ZINC001275093780 1104621205 /nfs/dbraw/zinc/62/12/05/1104621205.db2.gz IXJXAKDTAPDOGM-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(CCC)s1 ZINC001275116324 1104631775 /nfs/dbraw/zinc/63/17/75/1104631775.db2.gz WFBCZUODAPZQAH-AWEZNQCLSA-N 0 3 306.475 3.423 20 30 DGEDHN CCCCCCCCN1CC2(C1)CN(Cc1cccc(=O)[nH]1)C2 ZINC001275130956 1104640902 /nfs/dbraw/zinc/64/09/02/1104640902.db2.gz LLUPCNIFRSPNQL-UHFFFAOYSA-N 0 3 317.477 3.265 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001275157946 1104660256 /nfs/dbraw/zinc/66/02/56/1104660256.db2.gz ZJOSRENLIRHRRI-HKUYNNGSSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001275273700 1104701958 /nfs/dbraw/zinc/70/19/58/1104701958.db2.gz HMJBUBDXLXEBFB-QWHCGFSZSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cc2ccccc2o1 ZINC001275384818 1104743545 /nfs/dbraw/zinc/74/35/45/1104743545.db2.gz DRAFLURTGVLJST-GJZGRUSLSA-N 0 3 312.413 3.219 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001275472950 1104770796 /nfs/dbraw/zinc/77/07/96/1104770796.db2.gz YJATVPUCYGSLMM-CVEARBPZSA-N 0 3 318.436 3.311 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)CCC1 ZINC001275482791 1104773153 /nfs/dbraw/zinc/77/31/53/1104773153.db2.gz VQUQPZAJWVANGI-QZTJIDSGSA-N 0 3 324.468 3.267 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(C(F)F)c1 ZINC001275544397 1104801871 /nfs/dbraw/zinc/80/18/71/1104801871.db2.gz MMKMEMLGDSEXRC-AWEZNQCLSA-N 0 3 322.399 3.364 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C2CCC2)cc1)NC(=O)C#CC1CC1 ZINC001275551322 1104803562 /nfs/dbraw/zinc/80/35/62/1104803562.db2.gz GXOICPKANFFJMG-INIZCTEOSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)CCc1csc(C)n1 ZINC001275565099 1104812876 /nfs/dbraw/zinc/81/28/76/1104812876.db2.gz BBZOHPUVXVHOKY-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCOCCN(C)C[C@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001275666443 1104854476 /nfs/dbraw/zinc/85/44/76/1104854476.db2.gz XINKKDCMTULHRO-BXWFABGCSA-N 0 3 324.509 3.088 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001280760182 1104948533 /nfs/dbraw/zinc/94/85/33/1104948533.db2.gz OVRHGVLEYLDCFB-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001275904804 1104948678 /nfs/dbraw/zinc/94/86/78/1104948678.db2.gz OAQLKMQOBOSSDD-LSDHHAIUSA-N 0 3 306.425 3.365 20 30 DGEDHN C#CCCCN1C[C@@H]2COC[C@H](C1)N2C[C@@H](CC)CCCC ZINC001275975777 1104975461 /nfs/dbraw/zinc/97/54/61/1104975461.db2.gz OPHKWUPSAZSSBW-GBESFXJTSA-N 0 3 306.494 3.001 20 30 DGEDHN C#CCCCN1C[C@@H]2COC[C@H](C1)N2C[C@H](CC)CCCC ZINC001275975778 1104975627 /nfs/dbraw/zinc/97/56/27/1104975627.db2.gz OPHKWUPSAZSSBW-QRVBRYPASA-N 0 3 306.494 3.001 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1oc2c(cccc2C)c1C ZINC001276013194 1104987907 /nfs/dbraw/zinc/98/79/07/1104987907.db2.gz WGPJQIYVEZKFDE-CYBMUJFWSA-N 0 3 300.402 3.286 20 30 DGEDHN C=CCCCCCN1CC2(C1)CN(Cc1nc3ccccc3[nH]1)C2 ZINC001276036651 1104993262 /nfs/dbraw/zinc/99/32/62/1104993262.db2.gz WAAGOXACAQRKHF-UHFFFAOYSA-N 0 3 324.472 3.427 20 30 DGEDHN C=CCOc1cccc(CN2CC3(CCN3C3CCCC3)C2)c1 ZINC001276091568 1105015253 /nfs/dbraw/zinc/01/52/53/1105015253.db2.gz SQQKCHFHKNYWLT-UHFFFAOYSA-N 0 3 312.457 3.454 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCC1 ZINC001276251987 1105061913 /nfs/dbraw/zinc/06/19/13/1105061913.db2.gz XROKYCNKSXRXGE-FQEVSTJZSA-N 0 3 324.468 3.413 20 30 DGEDHN Cc1ccc2c(CN3CCC4SC(=O)C=C4C3)cccc2n1 ZINC001248556127 1105127974 /nfs/dbraw/zinc/12/79/74/1105127974.db2.gz LNUFWNBQHNZELH-KRWDZBQOSA-N 0 3 310.422 3.317 20 30 DGEDHN N#Cc1ccn2ncc(CN3CCC4(CC(F)(F)C4)CC3)c2c1 ZINC001249086976 1105223495 /nfs/dbraw/zinc/22/34/95/1105223495.db2.gz TTXIZRGMWSWTTH-UHFFFAOYSA-N 0 3 316.355 3.217 20 30 DGEDHN Cc1ccc(CCN(C)Cc2cnn3ccc(C#N)cc23)cc1 ZINC001249107589 1105226205 /nfs/dbraw/zinc/22/62/05/1105226205.db2.gz YPTAZUOFVUUIEJ-UHFFFAOYSA-N 0 3 304.397 3.189 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@@H]3C[C@@H]4C[C@@H]4N3)n2)cc1Cl ZINC001249144942 1105232293 /nfs/dbraw/zinc/23/22/93/1105232293.db2.gz IYBHAUPUUSTDRP-QNRPFLCFSA-N 0 3 321.167 3.338 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(OCCC)cc3)no2)CCCN1 ZINC001249351914 1105272065 /nfs/dbraw/zinc/27/20/65/1105272065.db2.gz PELMDXOBQMJKJJ-GOSISDBHSA-N 0 3 311.385 3.127 20 30 DGEDHN N#Cc1ccc(Cl)c(NC2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001249558909 1105314792 /nfs/dbraw/zinc/31/47/92/1105314792.db2.gz NGSBNRFJWZHFIZ-OAHLLOKOSA-N 0 3 317.820 3.392 20 30 DGEDHN Cc1ccc(C)c(NC2=CC[C@@H](N3CCOCC3)CC2)c1C#N ZINC001249561762 1105316471 /nfs/dbraw/zinc/31/64/71/1105316471.db2.gz SJSNUZQJCMKBKM-QGZVFWFLSA-N 0 3 311.429 3.356 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cs1)C2 ZINC001097043514 1105334380 /nfs/dbraw/zinc/33/43/80/1105334380.db2.gz XOSPLYIGGISDOK-KFWWJZLASA-N 0 3 304.459 3.358 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@@H]1C ZINC001278526851 1105347444 /nfs/dbraw/zinc/34/74/44/1105347444.db2.gz NMYRZRZXAOUUBO-NWDGAFQWSA-N 0 3 306.372 3.120 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)C2 ZINC001097125054 1105350228 /nfs/dbraw/zinc/35/02/28/1105350228.db2.gz PBHNBNGUWKNRPN-TVFCKZIOSA-N 0 3 302.462 3.421 20 30 DGEDHN CC1(C)OCCC12CCN(Cc1cccc(C#N)c1F)CC2 ZINC001249692972 1105356405 /nfs/dbraw/zinc/35/64/05/1105356405.db2.gz GAKBRJJFNPVDER-UHFFFAOYSA-N 0 3 302.393 3.478 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1CC)C2 ZINC001097183751 1105361506 /nfs/dbraw/zinc/36/15/06/1105361506.db2.gz QPNWFARJSDUUIN-YUELXQCFSA-N 0 3 319.474 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC=CCCC1)C2 ZINC001097319944 1105380197 /nfs/dbraw/zinc/38/01/97/1105380197.db2.gz RLUPPBDZKUMNRO-MLHJIOFPSA-N 0 3 302.462 3.421 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)[nH]c3ccccc31)C2 ZINC001097484829 1105402134 /nfs/dbraw/zinc/40/21/34/1105402134.db2.gz LNKBJBMZNFVLHU-OLMNPRSZSA-N 0 3 323.440 3.388 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1C1CC1)C2 ZINC001097726431 1105435372 /nfs/dbraw/zinc/43/53/72/1105435372.db2.gz YTDVWPKJPXSZQC-BMFZPTHFSA-N 0 3 300.402 3.068 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250133131 1105450076 /nfs/dbraw/zinc/45/00/76/1105450076.db2.gz IVZTUFAKAMGAQK-GFCCVEGCSA-N 0 3 308.219 3.308 20 30 DGEDHN C#C[C@H]1CCCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250133132 1105450257 /nfs/dbraw/zinc/45/02/57/1105450257.db2.gz IVZTUFAKAMGAQK-LBPRGKRZSA-N 0 3 308.219 3.308 20 30 DGEDHN N#C[C@H]1CC[C@@H](N[C@H](CCO)c2cccc(Br)c2)C1 ZINC001254648286 1105467395 /nfs/dbraw/zinc/46/73/95/1105467395.db2.gz HGBBTUKJEHBTPG-NILFDRSVSA-N 0 3 323.234 3.154 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1Cl)C2 ZINC001098065055 1105540941 /nfs/dbraw/zinc/54/09/41/1105540941.db2.gz VDYRIXYQHBTQAB-BMFZPTHFSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cccnc3c1)C2 ZINC001098063242 1105541038 /nfs/dbraw/zinc/54/10/38/1105541038.db2.gz FWRJOVCOJFMDIA-QRQLOZEOSA-N 0 3 321.424 3.146 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001278585469 1105546422 /nfs/dbraw/zinc/54/64/22/1105546422.db2.gz LQHAXMKYTNEVNP-NUBPSFNZSA-N 0 3 319.276 3.392 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cc(C#N)ccc3F)cc2)CC1 ZINC001250632946 1105550974 /nfs/dbraw/zinc/55/09/74/1105550974.db2.gz SEPXNPOVDHKWOE-UHFFFAOYSA-N 0 3 309.388 3.112 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cnccc3c1)C2 ZINC001098162300 1105560400 /nfs/dbraw/zinc/56/04/00/1105560400.db2.gz WXVQBZJHYIVPLO-QRVBRYPASA-N 0 3 321.424 3.146 20 30 DGEDHN CC(C)c1ccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC001250741948 1105573550 /nfs/dbraw/zinc/57/35/50/1105573550.db2.gz CQBRVMNNUTWRDJ-IBGZPJMESA-N 0 3 324.424 3.211 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2 ZINC001098482880 1105579448 /nfs/dbraw/zinc/57/94/48/1105579448.db2.gz GBGLYPQRMMKLFQ-RBAQFSTRSA-N 0 3 324.468 3.188 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(F)(F)F ZINC001098989279 1105623385 /nfs/dbraw/zinc/62/33/85/1105623385.db2.gz WTVJSEBXMDXZGO-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2CC)C1 ZINC001099014961 1105628912 /nfs/dbraw/zinc/62/89/12/1105628912.db2.gz RLXGZYZNQBKMJN-YJBOKZPZSA-N 0 3 302.418 3.002 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001099023766 1105631621 /nfs/dbraw/zinc/63/16/21/1105631621.db2.gz SBYMMHQOUICDJE-IRXDYDNUSA-N 0 3 317.477 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc3ccccc3c2)C1 ZINC001099052557 1105635280 /nfs/dbraw/zinc/63/52/80/1105635280.db2.gz CILZGRZFHRQBMP-PXNSSMCTSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001099077454 1105639693 /nfs/dbraw/zinc/63/96/93/1105639693.db2.gz SIRFGBULPBNLMJ-QOKNQOGYSA-N 0 3 316.445 3.157 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(Cl)c2)C1 ZINC001099132887 1105646956 /nfs/dbraw/zinc/64/69/56/1105646956.db2.gz DVCHWSXYLZSKIE-YOEHRIQHSA-N 0 3 304.821 3.110 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC(F)(F)F ZINC001099148860 1105649581 /nfs/dbraw/zinc/64/95/81/1105649581.db2.gz JZZZLRHHRWVJSG-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)(F)F ZINC001099245271 1105661452 /nfs/dbraw/zinc/66/14/52/1105661452.db2.gz JLXZWAMDANWZJP-CHWSQXEVSA-N 0 3 302.409 3.071 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001099251406 1105662126 /nfs/dbraw/zinc/66/21/26/1105662126.db2.gz JOXLORCWQBUCCS-INIZCTEOSA-N 0 3 304.478 3.219 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccc(F)cc1 ZINC001099324402 1105668867 /nfs/dbraw/zinc/66/88/67/1105668867.db2.gz LHTGVENJSGQGEJ-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001491019972 1105736914 /nfs/dbraw/zinc/73/69/14/1105736914.db2.gz COQMYHMSMNOUHO-IYBDPMFKSA-N 0 3 318.436 3.473 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CCN(C)c2ncccc2C1 ZINC001252128229 1105745252 /nfs/dbraw/zinc/74/52/52/1105745252.db2.gz KTVIYTBZIVXYCJ-GOSISDBHSA-N 0 3 319.493 3.445 20 30 DGEDHN CCCCCCCC[C@H](O)CNCc1cc(C(=O)OC)ccn1 ZINC001252136596 1105748833 /nfs/dbraw/zinc/74/88/33/1105748833.db2.gz RSJYJHPXSUGLOR-KRWDZBQOSA-N 0 3 322.449 3.069 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCc1cc(C(=O)OC)ccn1 ZINC001252136597 1105749075 /nfs/dbraw/zinc/74/90/75/1105749075.db2.gz RSJYJHPXSUGLOR-QGZVFWFLSA-N 0 3 322.449 3.069 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001278664562 1105777100 /nfs/dbraw/zinc/77/71/00/1105777100.db2.gz ZFHYGUGQVYRSEY-CQSZACIVSA-N 0 3 318.383 3.123 20 30 DGEDHN C=C[C@@](C)(O)CNCc1cc(Br)ccc1Cl ZINC001252573670 1105796527 /nfs/dbraw/zinc/79/65/27/1105796527.db2.gz IBEVGPQBXPSWDO-GFCCVEGCSA-N 0 3 304.615 3.129 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252622577 1105806493 /nfs/dbraw/zinc/80/64/93/1105806493.db2.gz XAEPLZUTXQRVRC-JSGCOSHPSA-N 0 3 314.351 3.468 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(C)c(Br)cn1 ZINC001252625674 1105807751 /nfs/dbraw/zinc/80/77/51/1105807751.db2.gz XWWSQRBAPVCGGV-NWDGAFQWSA-N 0 3 313.239 3.130 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CCC(NCc2ocnc2C)CC1 ZINC001491361276 1105814189 /nfs/dbraw/zinc/81/41/89/1105814189.db2.gz NPRSRGJPQLVLJI-FHERZECASA-N 0 3 319.449 3.102 20 30 DGEDHN CCCCCCCCCC[C@H](O)CNCC(=O)NC1CCC1 ZINC001252990582 1105869108 /nfs/dbraw/zinc/86/91/08/1105869108.db2.gz ZLVHHDWICNPFRQ-KRWDZBQOSA-N 0 3 312.498 3.136 20 30 DGEDHN CCCC[C@@H](CC)COC[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC001253005209 1105872998 /nfs/dbraw/zinc/87/29/98/1105872998.db2.gz DMNQUCGPKSBPRQ-SJORKVTESA-N 0 3 310.482 3.206 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001101012800 1105875068 /nfs/dbraw/zinc/87/50/68/1105875068.db2.gz RIXQPHRSSZYDFJ-NVPAJSRCSA-N 0 3 320.864 3.102 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCCC)C[C@]2(C)C1 ZINC001101137947 1105890527 /nfs/dbraw/zinc/89/05/27/1105890527.db2.gz UHVZNGXHGBYLBQ-LMMKCTJWSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)CC(C)C)C2 ZINC001111480554 1105904747 /nfs/dbraw/zinc/90/47/47/1105904747.db2.gz XSDSZQCDTFZWSB-MLHJIOFPSA-N 0 3 304.478 3.194 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001253234899 1105905924 /nfs/dbraw/zinc/90/59/24/1105905924.db2.gz GTWLMKHHJYZBEB-CVEARBPZSA-N 0 3 309.475 3.148 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC[C@H](c2noc(C)n2)C1 ZINC001253234031 1105906404 /nfs/dbraw/zinc/90/64/04/1105906404.db2.gz SJYOXXPWGQEHSW-IRXDYDNUSA-N 0 3 321.465 3.445 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC(c2nnc(C)o2)CC1 ZINC001253238681 1105907300 /nfs/dbraw/zinc/90/73/00/1105907300.db2.gz DDXOGRXPLDVDGX-KRWDZBQOSA-N 0 3 321.465 3.445 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001101325420 1105908731 /nfs/dbraw/zinc/90/87/31/1105908731.db2.gz RRUAZKYCGLHUJE-LMMKCTJWSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCC(=O)Nc1ccccc1 ZINC001253251471 1105912086 /nfs/dbraw/zinc/91/20/86/1105912086.db2.gz LGZLORUUMJEOIW-KRWDZBQOSA-N 0 3 304.434 3.102 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@](C)(CC)CCC)C[C@]2(C)C1 ZINC001101407320 1105917810 /nfs/dbraw/zinc/91/78/10/1105917810.db2.gz XFAXVVCZJMNVQP-QRQLOZEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001278747342 1105999651 /nfs/dbraw/zinc/99/96/51/1105999651.db2.gz LCIBMNDAPKKGPD-DZGCQCFKSA-N 0 3 302.409 3.072 20 30 DGEDHN N#CC1(c2ccc(F)cc2)CCC(N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254352861 1106058393 /nfs/dbraw/zinc/05/83/93/1106058393.db2.gz GZRVXGNESCIBGV-FXSDRFNOSA-N 0 3 314.404 3.393 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCC2(CC2)CC1 ZINC001254443988 1106072727 /nfs/dbraw/zinc/07/27/27/1106072727.db2.gz MMSVISSINBONFP-KRWDZBQOSA-N 0 3 315.461 3.245 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCCCC)C1 ZINC001102665004 1106092575 /nfs/dbraw/zinc/09/25/75/1106092575.db2.gz SIXDOEWYZBHMHK-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCc2ccco2)C1 ZINC001102659503 1106090492 /nfs/dbraw/zinc/09/04/92/1106090492.db2.gz LZLGNQSTCOTEEX-UKRRQHHQSA-N 0 3 324.852 3.039 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2occc2C)C1 ZINC001102663175 1106092769 /nfs/dbraw/zinc/09/27/69/1106092769.db2.gz KEFXCBQEKQGWRJ-TZMCWYRMSA-N 0 3 310.825 3.028 20 30 DGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCc2cc(C#N)ccc2C1 ZINC001254552426 1106102213 /nfs/dbraw/zinc/10/22/13/1106102213.db2.gz LQIPCNBOVCBUNK-AWEZNQCLSA-N 0 3 321.380 3.456 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491548518 1106102593 /nfs/dbraw/zinc/10/25/93/1106102593.db2.gz QZKKIJCBDHTMMC-BZNIZROVSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001491548520 1106102831 /nfs/dbraw/zinc/10/28/31/1106102831.db2.gz QZKKIJCBDHTMMC-MEDUHNTESA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCC2CCC2)C1 ZINC001102835905 1106109567 /nfs/dbraw/zinc/10/95/67/1106109567.db2.gz INUZULDBAQMWKO-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC(C)(C)C2)C1 ZINC001102938030 1106120290 /nfs/dbraw/zinc/12/02/90/1106120290.db2.gz QRRTVADJTATLLX-TZMCWYRMSA-N 0 3 312.885 3.249 20 30 DGEDHN COC(=O)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC001254644585 1106120630 /nfs/dbraw/zinc/12/06/30/1106120630.db2.gz ZJGLSAGNJZJVKP-GLQYFDAESA-N 0 3 306.793 3.226 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1[C@H]1CC[C@H](C#N)C1 ZINC001254660950 1106126215 /nfs/dbraw/zinc/12/62/15/1106126215.db2.gz NMOBBEDVQFWNED-KKUMJFAQSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254661267 1106126691 /nfs/dbraw/zinc/12/66/91/1106126691.db2.gz RGSDUYZIKVHYKN-KFWWJZLASA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254660993 1106126750 /nfs/dbraw/zinc/12/67/50/1106126750.db2.gz NYMPTZNYSJLACD-RRFJBIMHSA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254676726 1106131535 /nfs/dbraw/zinc/13/15/35/1106131535.db2.gz NNKIKWOOSBTWIR-APIJFGDWSA-N 0 3 307.438 3.056 20 30 DGEDHN COC(=O)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC001254676668 1106132016 /nfs/dbraw/zinc/13/20/16/1106132016.db2.gz MWRIQHASVZDNTG-VDHUWJSZSA-N 0 3 312.413 3.305 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C2CCC2)C1 ZINC001103133753 1106161990 /nfs/dbraw/zinc/16/19/90/1106161990.db2.gz JGCIBOVHOPCYLN-IVMMDQJWSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001103249711 1106182370 /nfs/dbraw/zinc/18/23/70/1106182370.db2.gz RVMBVWAJHJYLAV-VZEFYGNVSA-N 0 3 324.896 3.249 20 30 DGEDHN CC[C@@H](CC#N)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255155108 1106193300 /nfs/dbraw/zinc/19/33/00/1106193300.db2.gz LKQKGJROXFKFDT-AWEZNQCLSA-N 0 3 309.454 3.305 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2ccc(F)cc2F)CC1 ZINC001255160626 1106193992 /nfs/dbraw/zinc/19/39/92/1106193992.db2.gz MZZCEVYBQQWPPC-OAHLLOKOSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC001255165704 1106196319 /nfs/dbraw/zinc/19/63/19/1106196319.db2.gz CFTUERMARXHHQT-OWCLPIDISA-N 0 3 321.465 3.258 20 30 DGEDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N(CCC#N)C1CCCC1)C2 ZINC001255206573 1106204908 /nfs/dbraw/zinc/20/49/08/1106204908.db2.gz DZQANCJRNMLLOX-BJWYYQGGSA-N 0 3 319.449 3.297 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(C2CC2)c1)C(C)C ZINC001278930075 1106406857 /nfs/dbraw/zinc/40/68/57/1106406857.db2.gz UPGRLFYMRYHLDB-UHFFFAOYSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H](C)CCC(C)C ZINC001256367415 1106411065 /nfs/dbraw/zinc/41/10/65/1106411065.db2.gz DZQHAEBWMPGZSM-DOTOQJQBSA-N 0 3 305.466 3.347 20 30 DGEDHN CCCN(CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256479904 1106428439 /nfs/dbraw/zinc/42/84/39/1106428439.db2.gz KUVSZBSPBLYNHN-HUUCEWRRSA-N 0 3 309.454 3.400 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001278951677 1106455895 /nfs/dbraw/zinc/45/58/95/1106455895.db2.gz VAZWQAHJSWEBSG-NYXMJBRJSA-N 0 3 319.474 3.206 20 30 DGEDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001256662523 1106464928 /nfs/dbraw/zinc/46/49/28/1106464928.db2.gz XMRNQNOTZYSCCB-MRXNPFEDSA-N 0 3 319.836 3.092 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1CC ZINC001278969363 1106498079 /nfs/dbraw/zinc/49/80/79/1106498079.db2.gz ITMDUTCDRMOGNV-HCXYKTFWSA-N 0 3 312.457 3.228 20 30 DGEDHN C[C@@H]1CN(C2CCC(C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001256969708 1106518517 /nfs/dbraw/zinc/51/85/17/1106518517.db2.gz NHSZUOJZKAORQG-PJPHBNEVSA-N 0 3 321.465 3.398 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H](C)CCCCC ZINC001257515828 1106601318 /nfs/dbraw/zinc/60/13/18/1106601318.db2.gz VOQQZYVIKRZKPN-NVXWUHKLSA-N 0 3 305.466 3.491 20 30 DGEDHN CC(C)C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)N[O-] ZINC001257996095 1106655153 /nfs/dbraw/zinc/65/51/53/1106655153.db2.gz LKJPBIMJCFWXDD-JCYILVPMSA-N 0 3 304.434 3.223 20 30 DGEDHN CCCCCCC[C@@H](C)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001258052185 1106664802 /nfs/dbraw/zinc/66/48/02/1106664802.db2.gz MEMCHDIAEQWELO-FGTMMUONSA-N 0 3 314.489 3.480 20 30 DGEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@@H](C)Cc1ccco1)CCO2 ZINC001258191125 1106692188 /nfs/dbraw/zinc/69/21/88/1106692188.db2.gz AOEMWUYXYHVYFL-YQVWRLOYSA-N 0 3 319.445 3.284 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1sc(C)nc1C ZINC001316898212 1106742735 /nfs/dbraw/zinc/74/27/35/1106742735.db2.gz VIMXANYMTDWZCQ-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001316937953 1106787577 /nfs/dbraw/zinc/78/75/77/1106787577.db2.gz NQAHJAIIUCTUSC-INIZCTEOSA-N 0 3 321.465 3.456 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001316945434 1106800337 /nfs/dbraw/zinc/80/03/37/1106800337.db2.gz RRZMAYOQTYFODG-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1)OCC ZINC001316978795 1106841322 /nfs/dbraw/zinc/84/13/22/1106841322.db2.gz DZUOQKYSQAGCPY-ROUUACIJSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001320076729 1106845388 /nfs/dbraw/zinc/84/53/88/1106845388.db2.gz HQCTZZYPCDMTIK-ZDUSSCGKSA-N 0 3 313.344 3.074 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCC(C)(C)C1 ZINC001258606389 1106845631 /nfs/dbraw/zinc/84/56/31/1106845631.db2.gz WUYFASCDBXIOOY-GOEBONIOSA-N 0 3 303.450 3.101 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001320079233 1106849654 /nfs/dbraw/zinc/84/96/54/1106849654.db2.gz QEIZCCYSWNRBCL-UAPYVXQJSA-N 0 3 318.436 3.023 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001320085439 1106852675 /nfs/dbraw/zinc/85/26/75/1106852675.db2.gz QYMRSBNDJDGWRV-INIZCTEOSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2sccc2C(F)F)C1 ZINC001316990433 1106868968 /nfs/dbraw/zinc/86/89/68/1106868968.db2.gz HNHHDJCVSPRNNH-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN CCCCN(CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258645323 1106878647 /nfs/dbraw/zinc/87/86/47/1106878647.db2.gz CZGZQBWZPSSDGH-UHFFFAOYSA-N 0 3 313.445 3.307 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001316998053 1106880148 /nfs/dbraw/zinc/88/01/48/1106880148.db2.gz IRJBZFXWIKSMKW-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001320112214 1106881135 /nfs/dbraw/zinc/88/11/35/1106881135.db2.gz SOMHDWNCJZCTQX-BKILABGBSA-N 0 3 310.869 3.264 20 30 DGEDHN CCC[C@@H](Cc1ccccc1)N1CCC(C#N)(C(=O)OC)CC1 ZINC001258661126 1106887997 /nfs/dbraw/zinc/88/79/97/1106887997.db2.gz OJISVPVJRHXFDD-KRWDZBQOSA-N 0 3 314.429 3.177 20 30 DGEDHN CCCCC[C@@H](CCC)N1CCN(c2nccnc2C#N)CC1 ZINC001258674345 1106897248 /nfs/dbraw/zinc/89/72/48/1106897248.db2.gz VOUBBWYZIHIEHJ-MRXNPFEDSA-N 0 3 315.465 3.219 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC001320151959 1106903740 /nfs/dbraw/zinc/90/37/40/1106903740.db2.gz JYXJAPVLOJUPBD-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN O=C(CCCC1CC1)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001317028819 1106919362 /nfs/dbraw/zinc/91/93/62/1106919362.db2.gz WYUUGXYZDJENRH-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001317078673 1106974503 /nfs/dbraw/zinc/97/45/03/1106974503.db2.gz USWCSCGKPPJNGE-HDJSIYSDSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001317083744 1106978061 /nfs/dbraw/zinc/97/80/61/1106978061.db2.gz NXVPJPWCOLRYHT-HDJSIYSDSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCN(C[C@H](F)CC)C2)CCC1 ZINC001317135766 1107039322 /nfs/dbraw/zinc/03/93/22/1107039322.db2.gz QXSUQUFBWKSTDS-HZPDHXFCSA-N 0 3 310.457 3.309 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CCCCCC(C)C)C1 ZINC001317139470 1107045525 /nfs/dbraw/zinc/04/55/25/1107045525.db2.gz JBKQFBCNQMDEGX-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccccc1OC(C)C ZINC001320615985 1107072176 /nfs/dbraw/zinc/07/21/76/1107072176.db2.gz XTXDWPXBNIPDSR-CQSZACIVSA-N 0 3 324.852 3.324 20 30 DGEDHN C=CCCCCCN1CCCC[C@@H]1CNC(=O)c1cnco1 ZINC001317174809 1107089134 /nfs/dbraw/zinc/08/91/34/1107089134.db2.gz VKYSKGLVJHTXDB-OAHLLOKOSA-N 0 3 305.422 3.005 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001317176145 1107092090 /nfs/dbraw/zinc/09/20/90/1107092090.db2.gz JWGDMKWNFWINFO-HZPDHXFCSA-N 0 3 318.436 3.476 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CCC)CC1 ZINC001317210365 1107130791 /nfs/dbraw/zinc/13/07/91/1107130791.db2.gz XOTGVNFKCCDXRC-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C[C@H](CNC(=O)C#CC1CC1)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC001317238479 1107163471 /nfs/dbraw/zinc/16/34/71/1107163471.db2.gz JMWIQSFWAXGWMH-VXGBXAGGSA-N 0 3 322.811 3.048 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001317283460 1107208175 /nfs/dbraw/zinc/20/81/75/1107208175.db2.gz WWGTTXKVVLLPAR-HIFRSBDPSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001317382722 1107293290 /nfs/dbraw/zinc/29/32/90/1107293290.db2.gz GVMDMSIPUBDSQO-ZWOKBUDYSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C#CC(C)(C)C ZINC001317421154 1107345776 /nfs/dbraw/zinc/34/57/76/1107345776.db2.gz MGQIQQVHKBEJRS-OAHLLOKOSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](C)C(C)(F)F ZINC001317434807 1107362386 /nfs/dbraw/zinc/36/23/86/1107362386.db2.gz LTIBNRMAZSBUBB-CHWSQXEVSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001317467331 1107421893 /nfs/dbraw/zinc/42/18/93/1107421893.db2.gz RWVLJXQDTWOTMD-KRWDZBQOSA-N 0 3 302.462 3.188 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](CC)Cc1ccccc1C ZINC001317467333 1107422310 /nfs/dbraw/zinc/42/23/10/1107422310.db2.gz RWVLJXQDTWOTMD-QGZVFWFLSA-N 0 3 302.462 3.188 20 30 DGEDHN CCCCCCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321731469 1107422721 /nfs/dbraw/zinc/42/27/21/1107422721.db2.gz FETQFTISAYUUKF-MRXNPFEDSA-N 0 3 318.436 3.242 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](C)CNCc1ccccn1)c1ccccc1 ZINC001321750812 1107425141 /nfs/dbraw/zinc/42/51/41/1107425141.db2.gz SANKXTDDHONCLT-SJORKVTESA-N 0 3 323.440 3.036 20 30 DGEDHN N#CCOc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC001321817219 1107440122 /nfs/dbraw/zinc/44/01/22/1107440122.db2.gz BNPZNOVBLNEKPK-GOSISDBHSA-N 0 3 308.381 3.462 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001317506475 1107465839 /nfs/dbraw/zinc/46/58/39/1107465839.db2.gz UMJHZGYJAZGZIA-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001321978982 1107477316 /nfs/dbraw/zinc/47/73/16/1107477316.db2.gz UHQXEKOQINOIGI-QWHCGFSZSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001317521406 1107485574 /nfs/dbraw/zinc/48/55/74/1107485574.db2.gz WTYCGHLTNBMXJB-OAHLLOKOSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCN(CCNC(=O)c1occc1-c1ccccc1)C1CC1 ZINC001317554377 1107531297 /nfs/dbraw/zinc/53/12/97/1107531297.db2.gz HRHSUYPJIAXBRT-UHFFFAOYSA-N 0 3 310.397 3.327 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1C[C@]12CCc1ccccc12)C1CC1 ZINC001317558822 1107539554 /nfs/dbraw/zinc/53/95/54/1107539554.db2.gz MWNGYKZCWCRREV-CTNGQTDRSA-N 0 3 324.468 3.047 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2c(s1)CCCC2)C1CC1 ZINC001317560343 1107541659 /nfs/dbraw/zinc/54/16/59/1107541659.db2.gz ZJGLKFDLPUDSJJ-UHFFFAOYSA-N 0 3 304.459 3.007 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(OC)c(C)c1 ZINC001322219277 1107573846 /nfs/dbraw/zinc/57/38/46/1107573846.db2.gz UEFDEWARORGPNT-HNNXBMFYSA-N 0 3 318.461 3.152 20 30 DGEDHN C=CCN1CCC(Nc2cc(Cl)nc([C@H]3CCCO3)n2)CC1 ZINC001262059970 1107599613 /nfs/dbraw/zinc/59/96/13/1107599613.db2.gz NDZMXUUEQOLHAI-CYBMUJFWSA-N 0 3 322.840 3.044 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC12CC2 ZINC001317702029 1107610525 /nfs/dbraw/zinc/61/05/25/1107610525.db2.gz MNQWIOFQGWQIOU-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc[nH]1)c1ccc(C(C)C)cc1 ZINC001317710756 1107614861 /nfs/dbraw/zinc/61/48/61/1107614861.db2.gz ARNAGVSIULIWNY-GOSISDBHSA-N 0 3 311.429 3.385 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1occc1C(C)C)c1ccccc1 ZINC001317722455 1107623405 /nfs/dbraw/zinc/62/34/05/1107623405.db2.gz UJJKNIFUVGIOMK-GOSISDBHSA-N 0 3 324.424 3.487 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC001317722476 1107623812 /nfs/dbraw/zinc/62/38/12/1107623812.db2.gz UWKHLYKLWZBGKS-QGZVFWFLSA-N 0 3 310.397 3.404 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 ZINC001317727707 1107626550 /nfs/dbraw/zinc/62/65/50/1107626550.db2.gz WWSACZPWOVDHSJ-SZMVWBNQSA-N 0 3 300.446 3.446 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001317739320 1107630943 /nfs/dbraw/zinc/63/09/43/1107630943.db2.gz CLGUHQBBYWTFMM-KDURUIRLSA-N 0 3 314.473 3.356 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2ccco2)C1 ZINC001317749913 1107635878 /nfs/dbraw/zinc/63/58/78/1107635878.db2.gz JPKJVJKTYZXWQK-INIZCTEOSA-N 0 3 304.434 3.101 20 30 DGEDHN C#CCCCC(=O)N(CCC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001317752993 1107638296 /nfs/dbraw/zinc/63/82/96/1107638296.db2.gz AYVSVRFVWPHGGG-IBGZPJMESA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1cc(C)no1 ZINC001322352632 1107645311 /nfs/dbraw/zinc/64/53/11/1107645311.db2.gz BDYAZILHIUAXLP-WBVHZDCISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001317770874 1107656171 /nfs/dbraw/zinc/65/61/71/1107656171.db2.gz WPLWVUWOGSDUKA-WMZOPIPTSA-N 0 3 315.461 3.074 20 30 DGEDHN Cc1cccc(C(=O)N(C)CCCNCc2ccccc2C#N)c1 ZINC001322394043 1107660817 /nfs/dbraw/zinc/66/08/17/1107660817.db2.gz GLHVHNICNZEXMQ-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN[C@@H](C)c1cc(F)ccc1F ZINC001322484318 1107686290 /nfs/dbraw/zinc/68/62/90/1107686290.db2.gz YECASORKAZZSRF-AWEZNQCLSA-N 0 3 322.399 3.267 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826868 1107692235 /nfs/dbraw/zinc/69/22/35/1107692235.db2.gz RGVXBCQNTPMAEE-CVEARBPZSA-N 0 3 316.445 3.141 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826868 1107692237 /nfs/dbraw/zinc/69/22/37/1107692237.db2.gz RGVXBCQNTPMAEE-CVEARBPZSA-N 0 3 316.445 3.141 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCc2cnc(C)o2)CCCC1 ZINC001322863426 1107771506 /nfs/dbraw/zinc/77/15/06/1107771506.db2.gz WBXXSFHQFGSHKP-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC001317972599 1107776711 /nfs/dbraw/zinc/77/67/11/1107776711.db2.gz IABLBEKCPRZFTL-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001317994021 1107786678 /nfs/dbraw/zinc/78/66/78/1107786678.db2.gz JQNIPKSOXOBOJY-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001318149236 1107860327 /nfs/dbraw/zinc/86/03/27/1107860327.db2.gz FUBMPUBHUTTXIC-LJQANCHMSA-N 0 3 300.446 3.145 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001318149233 1107860605 /nfs/dbraw/zinc/86/06/05/1107860605.db2.gz FUBMPUBHUTTXIC-IBGZPJMESA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001323257512 1107905504 /nfs/dbraw/zinc/90/55/04/1107905504.db2.gz AWDRNXBCQWUIST-OAHLLOKOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001323257510 1107905672 /nfs/dbraw/zinc/90/56/72/1107905672.db2.gz AWDRNXBCQWUIST-HNNXBMFYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001318255808 1107917157 /nfs/dbraw/zinc/91/71/57/1107917157.db2.gz XHIMJPHOPDWRAR-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001318275980 1107925822 /nfs/dbraw/zinc/92/58/22/1107925822.db2.gz IEMDOKBASFYOIN-WMLDXEAASA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC001263089543 1107941602 /nfs/dbraw/zinc/94/16/02/1107941602.db2.gz LSERTEJUCNMZDV-HNNXBMFYSA-N 0 3 306.381 3.379 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001263100700 1107944974 /nfs/dbraw/zinc/94/49/74/1107944974.db2.gz VGMDAKBNVCZRNH-RYUDHWBXSA-N 0 3 309.479 3.301 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC001263117243 1107951380 /nfs/dbraw/zinc/95/13/80/1107951380.db2.gz WCQZSPMAZIYXCB-AWEZNQCLSA-N 0 3 312.417 3.073 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001323369358 1107952672 /nfs/dbraw/zinc/95/26/72/1107952672.db2.gz BRZUPXQQYRLYSI-KRWDZBQOSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001323372548 1107956386 /nfs/dbraw/zinc/95/63/86/1107956386.db2.gz ZAELTIIABVRPAJ-PXNSSMCTSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(C)C(=O)c2scnc2C)C1 ZINC001318387823 1107975059 /nfs/dbraw/zinc/97/50/59/1107975059.db2.gz JKDKQWJMFOVDOS-HNNXBMFYSA-N 0 3 321.490 3.344 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(CC)cc2)CC1 ZINC001323455866 1107980681 /nfs/dbraw/zinc/98/06/81/1107980681.db2.gz GIHWACJZRISAEA-UHFFFAOYSA-N 0 3 300.446 3.344 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](OC)C2CCCCC2)C1 ZINC001318492150 1108052454 /nfs/dbraw/zinc/05/24/54/1108052454.db2.gz NUOSXQHIUUYETF-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CC(C)(C)c2ccccc2)C1 ZINC001318491984 1108054061 /nfs/dbraw/zinc/05/40/61/1108054061.db2.gz MSWOEAFZWAFWFF-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCN(CCF)C1CCCCCC1 ZINC001323709271 1108059194 /nfs/dbraw/zinc/05/91/94/1108059194.db2.gz YLDIZWUCSJDHMD-UHFFFAOYSA-N 0 3 310.457 3.146 20 30 DGEDHN CC[C@H](CNC(=O)CC1=CCCCC1)NCC#Cc1ccccc1 ZINC001318506651 1108068849 /nfs/dbraw/zinc/06/88/49/1108068849.db2.gz KYGSNRPICJKNNU-HXUWFJFHSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001323736834 1108073505 /nfs/dbraw/zinc/07/35/05/1108073505.db2.gz USPZRGQAYYBFTD-INIZCTEOSA-N 0 3 322.880 3.242 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001323812306 1108090717 /nfs/dbraw/zinc/09/07/17/1108090717.db2.gz KKMQHZSXDIGNMM-MJGOQNOKSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCC=C(Cl)Cl ZINC001318569372 1108102740 /nfs/dbraw/zinc/10/27/40/1108102740.db2.gz IIGNWDSESOOREH-SMDDNHRTSA-N 0 3 307.265 3.392 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001323825035 1108096958 /nfs/dbraw/zinc/09/69/58/1108096958.db2.gz BUCJYRHBXMEUGG-WMZJFQQLSA-N 0 3 322.880 3.103 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCC=C(Cl)Cl ZINC001318569369 1108102749 /nfs/dbraw/zinc/10/27/49/1108102749.db2.gz IIGNWDSESOOREH-FZMZJTMJSA-N 0 3 307.265 3.392 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H](CC)CCCC)C2)C1 ZINC001323858338 1108105862 /nfs/dbraw/zinc/10/58/62/1108105862.db2.gz OVJRGGBCOWDPLD-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc3occc3[nH]2)CCCC1 ZINC001318635976 1108134095 /nfs/dbraw/zinc/13/40/95/1108134095.db2.gz JPERJHFFUAHXFF-UHFFFAOYSA-N 0 3 321.808 3.146 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CC1CC(C)(C)C1)C1CC1 ZINC001318711452 1108163051 /nfs/dbraw/zinc/16/30/51/1108163051.db2.gz OCAQWPMHBNPHAQ-QGZVFWFLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CC(C)C)CCCC[C@H]1C ZINC001318740219 1108175409 /nfs/dbraw/zinc/17/54/09/1108175409.db2.gz FSQAROTXTPDRPR-CJNGLKHVSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2ccns2)CCCC[C@H]1C ZINC001318741672 1108175609 /nfs/dbraw/zinc/17/56/09/1108175609.db2.gz JSYSFSGSWSTVRJ-PBHICJAKSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC001263805952 1108211165 /nfs/dbraw/zinc/21/11/65/1108211165.db2.gz ZFDCYWLVCWBAPC-HNNXBMFYSA-N 0 3 307.413 3.047 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1C ZINC001263810415 1108218272 /nfs/dbraw/zinc/21/82/72/1108218272.db2.gz XAXDFUVZWMVTGG-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)COC1CCC(C)CC1 ZINC001263823434 1108236914 /nfs/dbraw/zinc/23/69/14/1108236914.db2.gz NFQGSFVPIGSDED-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001263848232 1108254836 /nfs/dbraw/zinc/25/48/36/1108254836.db2.gz LVVWMBXWCNPKKX-SOUVJXGZSA-N 0 3 300.874 3.296 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001324340040 1108257508 /nfs/dbraw/zinc/25/75/08/1108257508.db2.gz OYJFASBJVIOOCU-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC001324340048 1108258066 /nfs/dbraw/zinc/25/80/66/1108258066.db2.gz PAADRKISASUDHY-SFHVURJKSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H]2CCC)cc1 ZINC001318995468 1108269105 /nfs/dbraw/zinc/26/91/05/1108269105.db2.gz DBQMSRMUNVJLDG-RTBURBONSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001263876545 1108276978 /nfs/dbraw/zinc/27/69/78/1108276978.db2.gz JBBOJNJNRXSKGZ-DZKIICNBSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001263885625 1108283263 /nfs/dbraw/zinc/28/32/63/1108283263.db2.gz FPECJXRWJUDELO-ZUGOVCDKSA-N 0 3 322.452 3.116 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1CCN(CC=C)CC1 ZINC001324425779 1108283489 /nfs/dbraw/zinc/28/34/89/1108283489.db2.gz ABPBSBRIOAHTJJ-IRXDYDNUSA-N 0 3 318.505 3.417 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001263901997 1108292597 /nfs/dbraw/zinc/29/25/97/1108292597.db2.gz QCKKAYSLDWWJCO-ZMSDIMECSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C[C@H](COC)N[C@H]1CCc2c1ccc(F)c2Br ZINC001324543977 1108335082 /nfs/dbraw/zinc/33/50/82/1108335082.db2.gz WXEYZAQBRZVHKX-RNCFNFMXSA-N 0 3 314.198 3.366 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)CC(C)C)C2 ZINC001324557109 1108341270 /nfs/dbraw/zinc/34/12/70/1108341270.db2.gz OFYLEVJTSRDBEV-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN O=C(C1CCC1)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001264112712 1108377147 /nfs/dbraw/zinc/37/71/47/1108377147.db2.gz IOCQQMKCJQPHFK-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl ZINC001319241774 1108382268 /nfs/dbraw/zinc/38/22/68/1108382268.db2.gz JBYBNJZXYLFOHX-ZWIPKHHJSA-N 0 3 307.265 3.250 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCCc2ccc(C)cc2)C1 ZINC001324679727 1108421790 /nfs/dbraw/zinc/42/17/90/1108421790.db2.gz FBJQTYOCBWNIMR-HXUWFJFHSA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)[C@H](C)CC)CCCC1 ZINC001319379245 1108438703 /nfs/dbraw/zinc/43/87/03/1108438703.db2.gz OBWYACSXEPVVJP-OCCSQVGLSA-N 0 3 300.874 3.440 20 30 DGEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(OCC#N)cc1 ZINC001324746731 1108451483 /nfs/dbraw/zinc/45/14/83/1108451483.db2.gz URBCKMQMUZPZLV-UHFFFAOYSA-N 0 3 312.417 3.242 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)c(OC(F)F)c1 ZINC001319435497 1108465870 /nfs/dbraw/zinc/46/58/70/1108465870.db2.gz JGSJUPLFFUNSPU-DZGCQCFKSA-N 0 3 322.355 3.161 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CCC1CCC1 ZINC001319438024 1108467029 /nfs/dbraw/zinc/46/70/29/1108467029.db2.gz AZQUFFROQVMJHO-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1c(C)cccc1Cl ZINC001319448952 1108473356 /nfs/dbraw/zinc/47/33/56/1108473356.db2.gz SZGYSDBPRTZNRQ-HNNXBMFYSA-N 0 3 320.864 3.388 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001324875882 1108490960 /nfs/dbraw/zinc/49/09/60/1108490960.db2.gz CEZVZDRIFVAOST-SJORKVTESA-N 0 3 316.489 3.076 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cc3cccc(C)c3o2)CC1 ZINC001324904453 1108501192 /nfs/dbraw/zinc/50/11/92/1108501192.db2.gz HEEZTKYNKIXILQ-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)C1 ZINC001264403596 1108511523 /nfs/dbraw/zinc/51/15/23/1108511523.db2.gz TYFGHTLCGMTZHF-TXEJJXNPSA-N 0 3 317.260 3.146 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001319538063 1108514081 /nfs/dbraw/zinc/51/40/81/1108514081.db2.gz NPBWJBUEWUJJGA-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001319604259 1108551020 /nfs/dbraw/zinc/55/10/20/1108551020.db2.gz VQFRUIXKJHNLRI-KGLIPLIRSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCC(C)C)C(C)(C)[C@H]21 ZINC001264585612 1108580675 /nfs/dbraw/zinc/58/06/75/1108580675.db2.gz DROGXTCRPIMEPL-QRQLOZEOSA-N 0 3 318.505 3.441 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@@H](C)SC ZINC001319740779 1108618590 /nfs/dbraw/zinc/61/85/90/1108618590.db2.gz KHNYFZORHKYPHH-ZIAGYGMSSA-N 0 3 318.914 3.241 20 30 DGEDHN N#CCc1cccc(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC001319740423 1108618604 /nfs/dbraw/zinc/61/86/04/1108618604.db2.gz NFDHSPVVFNGPLV-MRXNPFEDSA-N 0 3 310.401 3.380 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC2(c3ccccc3)CC2)[C@H]1C ZINC001264705389 1108626842 /nfs/dbraw/zinc/62/68/42/1108626842.db2.gz OLIKUAVYWHWVJA-AEFFLSMTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CCNCc1conc1C ZINC001319775252 1108631972 /nfs/dbraw/zinc/63/19/72/1108631972.db2.gz SQXOFWFRDIUAHG-QGZVFWFLSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)c1ccccc1CC ZINC001325361513 1108632331 /nfs/dbraw/zinc/63/23/31/1108632331.db2.gz HNITVBFYTMDSRJ-JYJNAYRXSA-N 0 3 322.399 3.083 20 30 DGEDHN C[C@@H](NCc1cccc(OCC#N)c1)c1ccc(C#N)c(F)c1 ZINC001319848901 1108662713 /nfs/dbraw/zinc/66/27/13/1108662713.db2.gz BGAINJHDKSAZDH-CYBMUJFWSA-N 0 3 309.344 3.451 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001319907095 1108690208 /nfs/dbraw/zinc/69/02/08/1108690208.db2.gz PUJAIATXTFLUNV-HKUYNNGSSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](NCc2cncs2)C(C)C)CC1 ZINC001319942587 1108705272 /nfs/dbraw/zinc/70/52/72/1108705272.db2.gz DRJFOFXRRCTLPW-MRXNPFEDSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1cnc(C)s1)C(C)C ZINC001319946475 1108707119 /nfs/dbraw/zinc/70/71/19/1108707119.db2.gz HDMLZZWVUAEIJN-OAHLLOKOSA-N 0 3 323.506 3.284 20 30 DGEDHN C[C@@H](NCc1cccc(OCC#N)c1)c1ccc(OCC#N)cc1 ZINC001319951475 1108711484 /nfs/dbraw/zinc/71/14/84/1108711484.db2.gz MGCIROOQPRFABO-OAHLLOKOSA-N 0 3 321.380 3.342 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccsc1Cl)C1CC1 ZINC001265177593 1108761236 /nfs/dbraw/zinc/76/12/36/1108761236.db2.gz YHADFAHDBJYHAJ-UHFFFAOYSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCCC(=O)N(C)C1CCN(Cc2ccc(OC)cc2)CC1 ZINC001265189770 1108766355 /nfs/dbraw/zinc/76/63/55/1108766355.db2.gz WDDAGRJGVUOTAL-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC001265203546 1108774515 /nfs/dbraw/zinc/77/45/15/1108774515.db2.gz LWJJHSSZGAPIQM-JSGCOSHPSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)C2CCN(CCOC)CC2)CC1 ZINC001265339926 1108833439 /nfs/dbraw/zinc/83/34/39/1108833439.db2.gz BOOTWGMQTLYHSB-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001265411367 1108865957 /nfs/dbraw/zinc/86/59/57/1108865957.db2.gz IVNZSLCCJUZSDH-OKILXGFUSA-N 0 3 312.404 3.063 20 30 DGEDHN CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001265493888 1108889321 /nfs/dbraw/zinc/88/93/21/1108889321.db2.gz GIVUVLPVRQFCOP-GUDVDZBRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001265508322 1108894198 /nfs/dbraw/zinc/89/41/98/1108894198.db2.gz CLXROHGCDNPNDF-JQFCIGGWSA-N 0 3 320.864 3.163 20 30 DGEDHN CC(C)(C)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001265690074 1108967740 /nfs/dbraw/zinc/96/77/40/1108967740.db2.gz QYEVGPNOBLSQTL-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(CC=C)CCCCC2)C1 ZINC001265708100 1108979263 /nfs/dbraw/zinc/97/92/63/1108979263.db2.gz JRYROIPTTZTOHQ-ROUUACIJSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001265720685 1108981243 /nfs/dbraw/zinc/98/12/43/1108981243.db2.gz PVZDOVVESLVCRI-LOJZDWPOSA-N 0 3 324.468 3.349 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001265779890 1109002573 /nfs/dbraw/zinc/00/25/73/1109002573.db2.gz RSIQKIXQGIETRC-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1[nH]c(C)cc1C ZINC001265996617 1109059522 /nfs/dbraw/zinc/05/95/22/1109059522.db2.gz GJTQGNFTENTPDE-LSDHHAIUSA-N 0 3 323.868 3.357 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001266006440 1109062053 /nfs/dbraw/zinc/06/20/53/1109062053.db2.gz LLVYWBGXSKCAEH-HOCLYGCPSA-N 0 3 321.852 3.115 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC12CCC2 ZINC001266089887 1109085349 /nfs/dbraw/zinc/08/53/49/1109085349.db2.gz ZQCLDKGCUWHSTM-LJQANCHMSA-N 0 3 324.468 3.057 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2C(C)C)C1 ZINC001266103456 1109090288 /nfs/dbraw/zinc/09/02/88/1109090288.db2.gz QXGIYZOYIWSTQT-KRWDZBQOSA-N 0 3 312.457 3.370 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C/C=C/Cc2ccccc2)C1 ZINC001266103504 1109090354 /nfs/dbraw/zinc/09/03/54/1109090354.db2.gz RQSURJLPQYIHQM-NDDJGDGRSA-N 0 3 324.468 3.122 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc(Cl)c1C)C1CC1 ZINC001266138589 1109105207 /nfs/dbraw/zinc/10/52/07/1109105207.db2.gz LTRWOWZHGMUOSC-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1cnc(Cl)s1 ZINC001266149221 1109108084 /nfs/dbraw/zinc/10/80/84/1109108084.db2.gz RHUXHXAIZIRBIM-NSHDSACASA-N 0 3 315.870 3.137 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H](C)c1cc2ccccc2o1)C1CC1 ZINC001266169079 1109113048 /nfs/dbraw/zinc/11/30/48/1109113048.db2.gz PFJUASMPGWERLL-OAHLLOKOSA-N 0 3 324.424 3.140 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001266215761 1109129749 /nfs/dbraw/zinc/12/97/49/1109129749.db2.gz NFKFEEYHBGVUKZ-HNNXBMFYSA-N 0 3 307.438 3.148 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@@H]1CCCN1Cc1cnc(C)o1 ZINC001266220337 1109131237 /nfs/dbraw/zinc/13/12/37/1109131237.db2.gz SEWNBPWVEAQFQN-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](C)C(C)C ZINC001266234703 1109135433 /nfs/dbraw/zinc/13/54/33/1109135433.db2.gz JHSBFPFMVRRXHU-CABCVRRESA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001280174679 1109178482 /nfs/dbraw/zinc/17/84/82/1109178482.db2.gz ZPJSWVKZOLIFAR-CQSZACIVSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1CC1(C)C ZINC001280324391 1109185722 /nfs/dbraw/zinc/18/57/22/1109185722.db2.gz HKBXNGBWEGFWLA-QGZVFWFLSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccoc2CC)cc1 ZINC001280351565 1109188786 /nfs/dbraw/zinc/18/87/86/1109188786.db2.gz ZHLFJMHMKDLQHR-CQSZACIVSA-N 0 3 310.397 3.056 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC[C@@H](C)CC)cc1 ZINC001280354289 1109189317 /nfs/dbraw/zinc/18/93/17/1109189317.db2.gz MIQXYFGPYVAKDM-JKSUJKDBSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C=C/C(C)(C)C)C1 ZINC001280890240 1109270305 /nfs/dbraw/zinc/27/03/05/1109270305.db2.gz VZMJFGOBMIOSJU-JWSDNSILSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C(C)(C)F ZINC001281064658 1109299028 /nfs/dbraw/zinc/29/90/28/1109299028.db2.gz YTKYMLOZIUVJDC-QGZVFWFLSA-N 0 3 318.436 3.244 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001316611754 1109371963 /nfs/dbraw/zinc/37/19/63/1109371963.db2.gz XWQNAPJUDAZBGK-FOIPXRHGSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C)cc(OC)c1C ZINC001281949354 1109419738 /nfs/dbraw/zinc/41/97/38/1109419738.db2.gz IQOORAVIMZLDMO-MRXNPFEDSA-N 0 3 316.445 3.034 20 30 DGEDHN CC(C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1)=C1CCC1 ZINC001282128897 1109454740 /nfs/dbraw/zinc/45/47/40/1109454740.db2.gz OYHSXFVGEYQCAB-STQMWFEESA-N 0 3 317.458 3.103 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1OC ZINC001282131400 1109455116 /nfs/dbraw/zinc/45/51/16/1109455116.db2.gz CKEMBOIPVPRZTQ-HOTGVXAUSA-N 0 3 318.461 3.343 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cnc(C)s1 ZINC001282195534 1109467242 /nfs/dbraw/zinc/46/72/42/1109467242.db2.gz ZQNNGGOKHDQVTH-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001316619166 1109485468 /nfs/dbraw/zinc/48/54/68/1109485468.db2.gz ZLIPAPIQLHNDMP-GASCZTMLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)CCc1ccccc1F ZINC001282431863 1109508234 /nfs/dbraw/zinc/50/82/34/1109508234.db2.gz BWWLNKBCYWXDKY-HNNXBMFYSA-N 0 3 320.452 3.407 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282445196 1109511581 /nfs/dbraw/zinc/51/15/81/1109511581.db2.gz ZSCDHTCZNZYHQB-HTRKUNOGSA-N 0 3 311.429 3.017 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(OC)c1 ZINC001282456172 1109515397 /nfs/dbraw/zinc/51/53/97/1109515397.db2.gz WYVWIBBWABYKTD-BEFAXECRSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001282665576 1109547806 /nfs/dbraw/zinc/54/78/06/1109547806.db2.gz GJQYWFPYUXRVMN-KBPBESRZSA-N 0 3 302.409 3.215 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001282678502 1109549976 /nfs/dbraw/zinc/54/99/76/1109549976.db2.gz URGLHTLLPYUKMQ-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001282678504 1109550963 /nfs/dbraw/zinc/55/09/63/1109550963.db2.gz URGLHTLLPYUKMQ-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001282737438 1109558651 /nfs/dbraw/zinc/55/86/51/1109558651.db2.gz BLZGQHTXVZPAFV-GFCCVEGCSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001282744056 1109561742 /nfs/dbraw/zinc/56/17/42/1109561742.db2.gz LOBKCYUVMKZCBN-HOTGVXAUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccoc1Cl ZINC001283164260 1109600376 /nfs/dbraw/zinc/60/03/76/1109600376.db2.gz FFLAMBHIDTVJJL-JTQLQIEISA-N 0 3 305.205 3.174 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(OC)cc1C ZINC001283228881 1109604859 /nfs/dbraw/zinc/60/48/59/1109604859.db2.gz IOIJFBPEHIVBMX-AWEZNQCLSA-N 0 3 324.852 3.244 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(CC(C)C)s1 ZINC001283623044 1109662561 /nfs/dbraw/zinc/66/25/61/1109662561.db2.gz TVLKNCWPTOGGNT-AWEZNQCLSA-N 0 3 306.475 3.020 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CCCc1ccc(Cl)cc1 ZINC001283629062 1109663039 /nfs/dbraw/zinc/66/30/39/1109663039.db2.gz CXPCVORXSLANQL-OAHLLOKOSA-N 0 3 320.864 3.123 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CCC1CCC1 ZINC001283966406 1109707184 /nfs/dbraw/zinc/70/71/84/1109707184.db2.gz TXWWTGFBYIGHBV-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2nc(C)cs2)C1 ZINC001284208891 1109758491 /nfs/dbraw/zinc/75/84/91/1109758491.db2.gz JFZQTYDNOUESOS-ZIAGYGMSSA-N 0 3 321.490 3.038 20 30 DGEDHN CCCCC(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001284263513 1109766379 /nfs/dbraw/zinc/76/63/79/1109766379.db2.gz SZYPNLPNEUABRO-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(OCC)c1)C(C)C ZINC001284545617 1109808851 /nfs/dbraw/zinc/80/88/51/1109808851.db2.gz XZHXHQOZECTKDK-UHFFFAOYSA-N 0 3 318.461 3.444 20 30 DGEDHN CC(C)(C)[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1CCC1 ZINC001284561643 1109812278 /nfs/dbraw/zinc/81/22/78/1109812278.db2.gz CWVBZQQGFJNQBH-OAHLLOKOSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001301882240 1111103086 /nfs/dbraw/zinc/10/30/86/1111103086.db2.gz QUACAMGZKOKFHA-MJGOQNOKSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)[C@@H]1CCCc2ccccc21 ZINC001304066542 1111164635 /nfs/dbraw/zinc/16/46/35/1111164635.db2.gz LLOAWMIWHCNAQK-FUHIMQAGSA-N 0 3 324.468 3.399 20 30 DGEDHN CN(CCCN(C)c1cc(F)ccc1C#N)Cc1ccncc1 ZINC001307157023 1111272617 /nfs/dbraw/zinc/27/26/17/1111272617.db2.gz PUKHNWODFAGVOF-UHFFFAOYSA-N 0 3 312.392 3.051 20 30 DGEDHN C#CCOCCN1CC=C(c2cccc(Br)c2)CC1 ZINC001307663335 1111325711 /nfs/dbraw/zinc/32/57/11/1111325711.db2.gz UOXWGIQFNPVKCM-UHFFFAOYSA-N 0 3 320.230 3.188 20 30 DGEDHN CC[C@@H]1C[C@H]1CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001307676354 1111326043 /nfs/dbraw/zinc/32/60/43/1111326043.db2.gz WYODBBALGPKPCC-HFTRVMKXSA-N 0 3 301.409 3.054 20 30 DGEDHN CN(CCOCc1ccccc1)CCOCc1ccc(C#N)cc1 ZINC001307811659 1111342117 /nfs/dbraw/zinc/34/21/17/1111342117.db2.gz KUSALEPVXCBVTO-UHFFFAOYSA-N 0 3 324.424 3.223 20 30 DGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001308133734 1111382123 /nfs/dbraw/zinc/38/21/23/1111382123.db2.gz KIIGXXFGINDHBY-CYBMUJFWSA-N 0 3 305.378 3.210 20 30 DGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001308133735 1111382234 /nfs/dbraw/zinc/38/22/34/1111382234.db2.gz KIIGXXFGINDHBY-ZDUSSCGKSA-N 0 3 305.378 3.210 20 30 DGEDHN C=CCCCN(CC)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC001308133768 1111382654 /nfs/dbraw/zinc/38/26/54/1111382654.db2.gz LJDDUBCUCDPGAN-UHFFFAOYSA-N 0 3 317.433 3.240 20 30 DGEDHN Cc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1C#N ZINC001308517833 1111436713 /nfs/dbraw/zinc/43/67/13/1111436713.db2.gz RGVRQVHWYNGIDF-UHFFFAOYSA-N 0 3 302.381 3.342 20 30 DGEDHN C#CCN1CCC[C@@H](NCc2cc(Cl)sc2Cl)C1 ZINC001308520748 1111437702 /nfs/dbraw/zinc/43/77/02/1111437702.db2.gz GDFJGDMCNLKMPM-LLVKDONJSA-N 0 3 303.258 3.242 20 30 DGEDHN C#CCN(Cc1cccc(CNC(=O)OC(C)(C)C)c1)C1CC1 ZINC001308772944 1111473371 /nfs/dbraw/zinc/47/33/71/1111473371.db2.gz AUMUZEVMAFHWOR-UHFFFAOYSA-N 0 3 314.429 3.309 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2OCc3ccccc32)C1 ZINC001308981024 1111504713 /nfs/dbraw/zinc/50/47/13/1111504713.db2.gz FNTQOUGVHOGHCR-SYYJFZTOSA-N 0 3 304.393 3.471 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001317513298 1111620251 /nfs/dbraw/zinc/62/02/51/1111620251.db2.gz JLBOPDPADLDZQO-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](C=C)c2ccccc2)CC(C)(C)C1 ZINC001316810886 1111775806 /nfs/dbraw/zinc/77/58/06/1111775806.db2.gz KDAMSRYYSOQRMX-RBUKOAKNSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(C)CCC(=O)NCCCN(C)Cc1cc(F)cc(F)c1 ZINC001316826441 1111779847 /nfs/dbraw/zinc/77/98/47/1111779847.db2.gz YOGBSDINRRBJEB-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1cccc(C)c1)c1ccc(C#N)cc1 ZINC000278351206 214108328 /nfs/dbraw/zinc/10/83/28/214108328.db2.gz ZGDCNJDJRINBOO-UYAOXDASSA-N 0 3 324.424 3.347 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1cccc(C)c1)c1ccc(C#N)cc1 ZINC000278351196 214108985 /nfs/dbraw/zinc/10/89/85/214108985.db2.gz ZGDCNJDJRINBOO-ICSRJNTNSA-N 0 3 324.424 3.347 20 30 DGEDHN CC[C@H](Cc1ccccc1Br)NC(=O)C(C)C#N ZINC000347988863 529431191 /nfs/dbraw/zinc/43/11/91/529431191.db2.gz AOBDRACWCLHMNB-CMPLNLGQSA-N 0 3 309.207 3.046 20 30 DGEDHN CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000413050328 529495987 /nfs/dbraw/zinc/49/59/87/529495987.db2.gz DMSCSTCLNRTXAA-AWEZNQCLSA-N 0 3 302.378 3.061 20 30 DGEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)c1ccc(C#N)cc1F ZINC000328753921 231331275 /nfs/dbraw/zinc/33/12/75/231331275.db2.gz NXEXHHGZLMILQW-NHYWBVRUSA-N 0 3 301.365 3.390 20 30 DGEDHN CCc1ccc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428788109 529628106 /nfs/dbraw/zinc/62/81/06/529628106.db2.gz VYOQEYFMNJNMQQ-LJQANCHMSA-N 0 3 321.424 3.211 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000182597899 529664002 /nfs/dbraw/zinc/66/40/02/529664002.db2.gz ZHFIIOCDAHXYQR-DOMZBBRYSA-N 0 3 307.825 3.141 20 30 DGEDHN CC[C@H](O)CN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000441069132 529695276 /nfs/dbraw/zinc/69/52/76/529695276.db2.gz SDVPVGJUKAYNJX-IBGZPJMESA-N 0 3 324.424 3.210 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@@H]3CO)c2)c1 ZINC000092470991 185320787 /nfs/dbraw/zinc/32/07/87/185320787.db2.gz VWWAFABERAGEOW-LJQANCHMSA-N 0 3 322.408 3.094 20 30 DGEDHN Cc1ccoc1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854305 185346625 /nfs/dbraw/zinc/34/66/25/185346625.db2.gz IXPWBPSRGIATQY-UHFFFAOYSA-N 0 3 311.385 3.335 20 30 DGEDHN COc1ccc([C@H](CN2CCCC2)Nc2ccc(C#N)cn2)cc1 ZINC000272820985 210220240 /nfs/dbraw/zinc/22/02/40/210220240.db2.gz OQNVTVDULOFOLX-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN CCc1ccc([C@H](CNc2ncc(C#N)cc2F)N(C)C)cc1 ZINC000413029187 529723597 /nfs/dbraw/zinc/72/35/97/529723597.db2.gz RJIOAWVUUJSDQP-KRWDZBQOSA-N 0 3 312.392 3.370 20 30 DGEDHN CCNC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181506535 199307601 /nfs/dbraw/zinc/30/76/01/199307601.db2.gz BMKUJJKSDCDKMB-AWEZNQCLSA-N 0 3 307.397 3.159 20 30 DGEDHN C=CCCCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243665 192367017 /nfs/dbraw/zinc/36/70/17/192367017.db2.gz JDSJRMJTUAQFKK-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN CN(CC[C@@H]1CCCO1)Cc1cccc(OCCCC#N)c1 ZINC000343459546 529930861 /nfs/dbraw/zinc/93/08/61/529930861.db2.gz DOTVTOBAHCBTKU-KRWDZBQOSA-N 0 3 302.418 3.370 20 30 DGEDHN CN(CCOCCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000339196845 529922650 /nfs/dbraw/zinc/92/26/50/529922650.db2.gz BVCPAECLPPPUIM-IRXDYDNUSA-N 0 3 302.418 3.095 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104701506 432017012 /nfs/dbraw/zinc/01/70/12/432017012.db2.gz HNUQOWAOFHNCFL-MOPGFXCFSA-N 0 3 313.445 3.172 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cccc3F)[nH]2)CC1 ZINC000106037211 432019731 /nfs/dbraw/zinc/01/97/31/432019731.db2.gz DGBANPRQKFVCAZ-UHFFFAOYSA-N 0 3 315.392 3.077 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000106341182 432020573 /nfs/dbraw/zinc/02/05/73/432020573.db2.gz MTHYFMMKFDTADV-HNNXBMFYSA-N 0 3 313.445 3.188 20 30 DGEDHN CN(CCC(=O)NCC1CCCCC1)Cc1cccc(C#N)c1 ZINC000066871355 432022846 /nfs/dbraw/zinc/02/28/46/432022846.db2.gz KAGXGYAMEBWMED-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(F)(F)c2ccc(C)cc2)CC1 ZINC000272500884 209911307 /nfs/dbraw/zinc/91/13/07/209911307.db2.gz IINBFFBJKPBDOV-UHFFFAOYSA-N 0 3 322.399 3.244 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)NCCn2ccnc2)cc1 ZINC000155754115 186109695 /nfs/dbraw/zinc/10/96/95/186109695.db2.gz AZRRLKUCUWPIHK-CQSZACIVSA-N 0 3 305.809 3.365 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCCCNC2=O)cc1 ZINC000177877896 186197741 /nfs/dbraw/zinc/19/77/41/186197741.db2.gz SKHVJBQLAMUSIP-CJNGLKHVSA-N 0 3 322.836 3.137 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCCC2(C)C)c(C#N)c1C ZINC000191850447 186264173 /nfs/dbraw/zinc/26/41/73/186264173.db2.gz QJYCHYJMXRCDBH-SMDDNHRTSA-N 0 3 303.406 3.263 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000171717926 197972465 /nfs/dbraw/zinc/97/24/65/197972465.db2.gz ZUHONJMZNXKXEV-UHFFFAOYSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2cccs2)CC1 ZINC000171738277 197977064 /nfs/dbraw/zinc/97/70/64/197977064.db2.gz HCMLPMPJGWTOFX-ZDUSSCGKSA-N 0 3 307.463 3.101 20 30 DGEDHN COCCN(CCc1scnc1C)Cc1ccc(C#N)cc1 ZINC000172530562 198111285 /nfs/dbraw/zinc/11/12/85/198111285.db2.gz UHVSPJTXMIWUDI-UHFFFAOYSA-N 0 3 315.442 3.014 20 30 DGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)nc1 ZINC000107448837 432032394 /nfs/dbraw/zinc/03/23/94/432032394.db2.gz DZAFNQDARHUIQW-UHFFFAOYSA-N 0 3 320.396 3.191 20 30 DGEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000174264209 198311896 /nfs/dbraw/zinc/31/18/96/198311896.db2.gz KISULYMFSUHPMH-QGZVFWFLSA-N 0 3 311.429 3.194 20 30 DGEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1-n1cncn1 ZINC000131160649 432033338 /nfs/dbraw/zinc/03/33/38/432033338.db2.gz FOLJVLOIUJQJNM-UHFFFAOYSA-N 0 3 317.396 3.079 20 30 DGEDHN COc1ccc(CNCc2ccc3c(c2)OCCCO3)cc1C#N ZINC000174341716 198322394 /nfs/dbraw/zinc/32/23/94/198322394.db2.gz MKFSKHUXKGIWOV-UHFFFAOYSA-N 0 3 324.380 3.018 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000365381862 282918978 /nfs/dbraw/zinc/91/89/78/282918978.db2.gz AQLGPEQXZFGNKM-HOTGVXAUSA-N 0 3 309.331 3.214 20 30 DGEDHN CN(CCC#N)C(=O)CCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000131841441 432040313 /nfs/dbraw/zinc/04/03/13/432040313.db2.gz DDABLVXVZYUWOA-QGZVFWFLSA-N 0 3 319.424 3.265 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000163875625 432043488 /nfs/dbraw/zinc/04/34/88/432043488.db2.gz GMYDLCYHVCTWHV-UAGQMJEPSA-N 0 3 304.821 3.337 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC3(CC2)OCCc2ccsc23)C1 ZINC000339078554 283058792 /nfs/dbraw/zinc/05/87/92/283058792.db2.gz FRRGKNKPSDKAIJ-HIFRSBDPSA-N 0 3 302.443 3.304 20 30 DGEDHN CO[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000276974548 213213124 /nfs/dbraw/zinc/21/31/24/213213124.db2.gz XJXBLHDVEHXNDS-GJZGRUSLSA-N 0 3 323.234 3.368 20 30 DGEDHN C[C@H]1C[C@@H]1N1CCN(c2c(F)cc(C#N)cc2F)C[C@@H](C)C1 ZINC000488719722 291096730 /nfs/dbraw/zinc/09/67/30/291096730.db2.gz ONDHSZSSERDUAO-MKBNYLNASA-N 0 3 305.372 3.003 20 30 DGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C#N)cc1 ZINC000133307050 432060169 /nfs/dbraw/zinc/06/01/69/432060169.db2.gz WGKWTKFLWOZWNW-UHFFFAOYSA-N 0 3 321.424 3.199 20 30 DGEDHN N#Cc1ccc([C@H](N[C@H]2CCC[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000134005357 432072838 /nfs/dbraw/zinc/07/28/38/432072838.db2.gz HNYKMNXJEFXFCK-QYZOEREBSA-N 0 3 319.408 3.011 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179508588 199047291 /nfs/dbraw/zinc/04/72/91/199047291.db2.gz WZVBIZAHSAKSLV-MRXNPFEDSA-N 0 3 324.403 3.052 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179508588 199047293 /nfs/dbraw/zinc/04/72/93/199047293.db2.gz WZVBIZAHSAKSLV-MRXNPFEDSA-N 0 3 324.403 3.052 20 30 DGEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000180934990 199230165 /nfs/dbraw/zinc/23/01/65/199230165.db2.gz BIUHURLTQGIWIX-QGZVFWFLSA-N 0 3 321.421 3.180 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H](SC)C1 ZINC000134549721 432078907 /nfs/dbraw/zinc/07/89/07/432078907.db2.gz IHLBVLNALFBNMW-OAHLLOKOSA-N 0 3 320.458 3.163 20 30 DGEDHN Cn1cc(CNCc2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000180203574 432081330 /nfs/dbraw/zinc/08/13/30/432081330.db2.gz KCDWZHNGFZMNQQ-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN Cc1nccnc1[C@@H](C)NCCSCc1ccccc1C#N ZINC000187858765 200167678 /nfs/dbraw/zinc/16/76/78/200167678.db2.gz GSSBMMCAHWCYMU-CQSZACIVSA-N 0 3 312.442 3.241 20 30 DGEDHN C=CCCN(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000276065778 212658279 /nfs/dbraw/zinc/65/82/79/212658279.db2.gz CMLKOGHKPHOAQU-OAHLLOKOSA-N 0 3 303.450 3.333 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428774818 238031338 /nfs/dbraw/zinc/03/13/38/238031338.db2.gz XSXPGSTWABNXJM-WBVHZDCISA-N 0 3 307.397 3.476 20 30 DGEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000429580837 238055827 /nfs/dbraw/zinc/05/58/27/238055827.db2.gz RFKWWDOKUMXFQN-ZIAGYGMSSA-N 0 3 317.458 3.361 20 30 DGEDHN COc1ccc(CNCC2(CC#N)CC2)cc1Br ZINC000430069333 238065094 /nfs/dbraw/zinc/06/50/94/238065094.db2.gz AAGBKIQTDWCCBL-UHFFFAOYSA-N 0 3 309.207 3.241 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccccn1)C1CC1 ZINC000433141952 238148167 /nfs/dbraw/zinc/14/81/67/238148167.db2.gz BTLHBXUDHUUKSJ-QGZVFWFLSA-N 0 3 319.408 3.345 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 ZINC000433217160 238150952 /nfs/dbraw/zinc/15/09/52/238150952.db2.gz BISITZGKJOLHOT-SFHVURJKSA-N 0 3 321.424 3.459 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(SC)ccc2C)CC1 ZINC000272015915 209385303 /nfs/dbraw/zinc/38/53/03/209385303.db2.gz KNYMCIGFKFBSMW-UHFFFAOYSA-N 0 3 319.474 3.489 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Cl)c2C)CC1 ZINC000194581383 201255688 /nfs/dbraw/zinc/25/56/88/201255688.db2.gz GAIIIFUWHBADCC-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](CO)C(C)(C)C)ccc1OC ZINC000194636976 201267338 /nfs/dbraw/zinc/26/73/38/201267338.db2.gz QVSOCLVGKKXFTA-QGZVFWFLSA-N 0 3 307.434 3.147 20 30 DGEDHN CC(C)(COCc1ccccc1)NC[C@H](O)c1ccc(C#N)cc1 ZINC000281551692 216378876 /nfs/dbraw/zinc/37/88/76/216378876.db2.gz XPRSQPJWFGONTN-IBGZPJMESA-N 0 3 324.424 3.177 20 30 DGEDHN CO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000443071673 239170235 /nfs/dbraw/zinc/17/02/35/239170235.db2.gz ODPUXDAEDHWKMC-WBVHZDCISA-N 0 3 302.418 3.368 20 30 DGEDHN N#Cc1cccc(CNCCc2cc(C(F)(F)F)ccn2)c1 ZINC000292939040 223318507 /nfs/dbraw/zinc/31/85/07/223318507.db2.gz JSCFIKGOUFMLES-UHFFFAOYSA-N 0 3 305.303 3.304 20 30 DGEDHN COc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1C#N ZINC000135180791 432103985 /nfs/dbraw/zinc/10/39/85/432103985.db2.gz CWYIOZKYQDYBBK-SFHVURJKSA-N 0 3 307.397 3.253 20 30 DGEDHN COc1ccc(-n2ccc(CNC3CCC(C)(C#N)CC3)n2)cc1 ZINC000449132301 240030567 /nfs/dbraw/zinc/03/05/67/240030567.db2.gz UAKZRDCPMWYRAO-UHFFFAOYSA-N 0 3 324.428 3.443 20 30 DGEDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(C#N)c(C)c1 ZINC000449382495 240167547 /nfs/dbraw/zinc/16/75/47/240167547.db2.gz XFPUKXMSIOHYBT-AWEZNQCLSA-N 0 3 300.324 3.314 20 30 DGEDHN COC[C@H](CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000449474575 240230777 /nfs/dbraw/zinc/23/07/77/240230777.db2.gz DEEKYQJOMOSLIJ-ZDUSSCGKSA-N 0 3 304.777 3.324 20 30 DGEDHN C=C(C)CCNCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000449476423 240230847 /nfs/dbraw/zinc/23/08/47/240230847.db2.gz MWXRMEJIHAVEKK-UHFFFAOYSA-N 0 3 313.401 3.105 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000449522619 240263023 /nfs/dbraw/zinc/26/30/23/240263023.db2.gz VUVMYSZNYHRNPX-SJORKVTESA-N 0 3 317.820 3.267 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000449694208 240374237 /nfs/dbraw/zinc/37/42/37/240374237.db2.gz ATOAIGDCLAPJCI-GOSISDBHSA-N 0 3 312.413 3.174 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC000449698443 240375884 /nfs/dbraw/zinc/37/58/84/240375884.db2.gz NPEOSIVKHKMTFK-LLVKDONJSA-N 0 3 304.217 3.419 20 30 DGEDHN CCC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000451417690 241115843 /nfs/dbraw/zinc/11/58/43/241115843.db2.gz CEYBASDCPIOVQS-MRXNPFEDSA-N 0 3 322.474 3.136 20 30 DGEDHN C=CCC[C@H](O)CN(CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451974178 241290507 /nfs/dbraw/zinc/29/05/07/241290507.db2.gz IQHIDDQUTDWGIG-AWEZNQCLSA-N 0 3 315.816 3.255 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)cc1F ZINC000246235867 432110063 /nfs/dbraw/zinc/11/00/63/432110063.db2.gz NIRKMNMVVUJXHP-FOIQADDNSA-N 0 3 323.415 3.307 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452345059 241392554 /nfs/dbraw/zinc/39/25/54/241392554.db2.gz PTUFJUPQIJHVKI-KRWDZBQOSA-N 0 3 313.445 3.107 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453362982 241743074 /nfs/dbraw/zinc/74/30/74/241743074.db2.gz QFVYGXMJRHUIQQ-YPMHNXCESA-N 0 3 307.825 3.204 20 30 DGEDHN C=CCC1(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CCCC1 ZINC000454815467 242040854 /nfs/dbraw/zinc/04/08/54/242040854.db2.gz MXAVIEHUQQRIJK-HNNXBMFYSA-N 0 3 305.466 3.073 20 30 DGEDHN CN(CCC#N)C(=O)CCN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181072141 432112263 /nfs/dbraw/zinc/11/22/63/432112263.db2.gz RJLOMDVUNWNRIE-KRWDZBQOSA-N 0 3 319.424 3.265 20 30 DGEDHN C=C(C)CCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000455316803 242167280 /nfs/dbraw/zinc/16/72/80/242167280.db2.gz WDYOYCBLWWTHHQ-UHFFFAOYSA-N 0 3 303.450 3.246 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](CC)c1nccn1C)C(C)C ZINC000271767053 209196194 /nfs/dbraw/zinc/19/61/94/209196194.db2.gz CHLRZYBBEHZPLZ-IAGOWNOFSA-N 0 3 304.482 3.159 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456244543 242386380 /nfs/dbraw/zinc/38/63/80/242386380.db2.gz GKLFQFSOLCINPD-FHWLQOOXSA-N 0 3 308.425 3.406 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000458560015 243089508 /nfs/dbraw/zinc/08/95/08/243089508.db2.gz QICWIFGYSSOSII-GOEBONIOSA-N 0 3 305.466 3.047 20 30 DGEDHN C=C(C)COCCNCc1c(C)nc2scc(C3CC3)n12 ZINC000459451879 243375334 /nfs/dbraw/zinc/37/53/34/243375334.db2.gz VTWWNMQNCHHEKU-UHFFFAOYSA-N 0 3 305.447 3.264 20 30 DGEDHN COCc1cccc(OCC2(CN[C@@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000459456476 243375786 /nfs/dbraw/zinc/37/57/86/243375786.db2.gz FYFLOIMXYUDIID-SJLPKXTDSA-N 0 3 314.429 3.274 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471016603 244202364 /nfs/dbraw/zinc/20/23/64/244202364.db2.gz DHDYQMRCTCPKFG-GOSISDBHSA-N 0 3 312.457 3.293 20 30 DGEDHN CCOC(=O)CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275074795 212105772 /nfs/dbraw/zinc/10/57/72/212105772.db2.gz WBXZEDLHXFYCMS-CQSZACIVSA-N 0 3 300.402 3.284 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472344502 244299555 /nfs/dbraw/zinc/29/95/55/244299555.db2.gz CKJHAUVBLXKWRC-MJGOQNOKSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCC[C@@H](C(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000474078349 244368038 /nfs/dbraw/zinc/36/80/38/244368038.db2.gz HQJGUNRECPVZNE-QGZVFWFLSA-N 0 3 300.446 3.337 20 30 DGEDHN C[C@H](CCO)N(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000093303013 193226804 /nfs/dbraw/zinc/22/68/04/193226804.db2.gz CMWHFNRYCXKYAF-QGZVFWFLSA-N 0 3 324.424 3.210 20 30 DGEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCc2ccccc2C1 ZINC000093438684 193252916 /nfs/dbraw/zinc/25/29/16/193252916.db2.gz GPKMGYQILXYQRR-SFHVURJKSA-N 0 3 316.408 3.195 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000268704570 432122442 /nfs/dbraw/zinc/12/24/42/432122442.db2.gz RYHCGYVNYVGSKL-HKUYNNGSSA-N 0 3 310.372 3.220 20 30 DGEDHN CCCCNC(=O)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246370207 432122690 /nfs/dbraw/zinc/12/26/90/432122690.db2.gz MFHBHTSRQROVIB-CRAIPNDOSA-N 0 3 313.445 3.248 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCC[C@H]1C ZINC000487995609 245134128 /nfs/dbraw/zinc/13/41/28/245134128.db2.gz AYJDVJNHGQJCDE-RHSMWYFYSA-N 0 3 302.418 3.204 20 30 DGEDHN COCCN(Cc1cc(C#N)ccc1OC)[C@H]1CCC[C@H]1C ZINC000487995602 245134952 /nfs/dbraw/zinc/13/49/52/245134952.db2.gz AYJDVJNHGQJCDE-PBHICJAKSA-N 0 3 302.418 3.204 20 30 DGEDHN Cc1cc(CN2CC[C@]3(C2)OCc2ccccc23)ccc1C#N ZINC000488071499 245142825 /nfs/dbraw/zinc/14/28/25/245142825.db2.gz IIDRUBBLNBXFMW-HXUWFJFHSA-N 0 3 304.393 3.498 20 30 DGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000268703573 432123239 /nfs/dbraw/zinc/12/32/39/432123239.db2.gz RTJNFDOJUFRIDE-LRDDRELGSA-N 0 3 315.442 3.358 20 30 DGEDHN CCc1ccc([C@@H](C#N)NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000489961258 245365785 /nfs/dbraw/zinc/36/57/85/245365785.db2.gz GPHUPQSISSQHQQ-LJQANCHMSA-N 0 3 321.424 3.305 20 30 DGEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)Nc1sccc1C#N ZINC000282518007 217057421 /nfs/dbraw/zinc/05/74/21/217057421.db2.gz SSUMTSUMTHQTIJ-LBPRGKRZSA-N 0 3 305.447 3.459 20 30 DGEDHN COCCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000127382975 284337612 /nfs/dbraw/zinc/33/76/12/284337612.db2.gz VOXJHXDQIRVOKU-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000266419124 205333773 /nfs/dbraw/zinc/33/37/73/205333773.db2.gz IIDFZMGKEGJBMN-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN COc1cccc(N2CC[C@@H](N[C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000266468402 205369917 /nfs/dbraw/zinc/36/99/17/205369917.db2.gz NLYGMRDMIAMFKX-MAUKXSAKSA-N 0 3 321.424 3.496 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C#N)cc1 ZINC000266511501 205399659 /nfs/dbraw/zinc/39/96/59/205399659.db2.gz XMBPYOPQOMXUAM-ZIAGYGMSSA-N 0 3 319.408 3.489 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccc(F)cc2)cc1 ZINC000268779351 432131985 /nfs/dbraw/zinc/13/19/85/432131985.db2.gz XEYCLONKTDARFG-AUUYWEPGSA-N 0 3 313.372 3.222 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1 ZINC000135667011 432131911 /nfs/dbraw/zinc/13/19/11/432131911.db2.gz XANJMSAXLNYJRO-HNNXBMFYSA-N 0 3 301.415 3.139 20 30 DGEDHN CC(C)CC[C@@H]1CCC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000493685989 246041401 /nfs/dbraw/zinc/04/14/01/246041401.db2.gz TZBUQOKFOQWZDB-SZMVWBNQSA-N 0 3 313.445 3.279 20 30 DGEDHN C=CCCCC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000267359604 206010839 /nfs/dbraw/zinc/01/08/39/206010839.db2.gz WFNKOSJWVMEQMC-GOSISDBHSA-N 0 3 315.461 3.251 20 30 DGEDHN C=CCN(C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000494701352 246181857 /nfs/dbraw/zinc/18/18/57/246181857.db2.gz FTPUTMLTSGPGRQ-INIZCTEOSA-N 0 3 313.397 3.336 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000494792388 246192035 /nfs/dbraw/zinc/19/20/35/246192035.db2.gz FWOQAMQGFLFQSY-KGLIPLIRSA-N 0 3 310.319 3.216 20 30 DGEDHN N#Cc1cccc(CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000022807819 182336174 /nfs/dbraw/zinc/33/61/74/182336174.db2.gz DXMYJPXXJMHBKM-UHFFFAOYSA-N 0 3 305.425 3.266 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@@H](O)c2ccccc2F)cc1 ZINC000268789848 432134980 /nfs/dbraw/zinc/13/49/80/432134980.db2.gz LMNPDGVTKXHSJK-IFXJQAMLSA-N 0 3 313.372 3.222 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000246467017 432135113 /nfs/dbraw/zinc/13/51/13/432135113.db2.gz GJEPNIWSBMFQSJ-SOLBZPMBSA-N 0 3 319.493 3.390 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(F)cc1)C(C)C ZINC000496014196 246341426 /nfs/dbraw/zinc/34/14/26/246341426.db2.gz MOSGWTJCGUCIRU-KRWDZBQOSA-N 0 3 304.409 3.254 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)s1)C(C)C ZINC000496013131 246341793 /nfs/dbraw/zinc/34/17/93/246341793.db2.gz HFFYRJAYRAMOGW-OAHLLOKOSA-N 0 3 306.475 3.485 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)cc1)C(C)C ZINC000496013832 246342156 /nfs/dbraw/zinc/34/21/56/246342156.db2.gz KJZWBHUZCIIXLM-SFHVURJKSA-N 0 3 300.446 3.423 20 30 DGEDHN C[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000496056223 246345839 /nfs/dbraw/zinc/34/58/39/246345839.db2.gz ZYYWIUILTSBJIU-KGLIPLIRSA-N 0 3 317.433 3.464 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295406847 296225335 /nfs/dbraw/zinc/22/53/35/296225335.db2.gz BTCDODICANTNTN-HOCLYGCPSA-N 0 3 313.445 3.233 20 30 DGEDHN N#Cc1cccc(OC2CCN(CCc3ccncc3)CC2)c1 ZINC000104715685 194029693 /nfs/dbraw/zinc/02/96/93/194029693.db2.gz URYDTCJHDSPGJR-UHFFFAOYSA-N 0 3 307.397 3.039 20 30 DGEDHN CC(C)(C)OCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716072 194028797 /nfs/dbraw/zinc/02/87/97/194028797.db2.gz BUMAHJJYWDKUHI-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)N(CC)CC ZINC000359588973 269679927 /nfs/dbraw/zinc/67/99/27/269679927.db2.gz GDOYIICNQSHAPC-GOSISDBHSA-N 0 3 315.461 3.416 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000268877511 207046249 /nfs/dbraw/zinc/04/62/49/207046249.db2.gz FATFJYLPVHWRCF-UHFFFAOYSA-N 0 3 314.473 3.293 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cccc(C#N)c2)C1 ZINC000064995278 184308147 /nfs/dbraw/zinc/30/81/47/184308147.db2.gz BNWNPTFCXBZUKN-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN COc1cc(CN[C@@H]2CCCC[C@@H]2OC(F)F)ccc1C#N ZINC000337274955 253076373 /nfs/dbraw/zinc/07/63/73/253076373.db2.gz DMSQGTFMXRILAA-KGLIPLIRSA-N 0 3 310.344 3.207 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337374632 253099970 /nfs/dbraw/zinc/09/99/70/253099970.db2.gz APRZNEOWJWWJLC-UONOGXRCSA-N 0 3 310.344 3.207 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCCC[C@@H]1OC(F)F ZINC000337374631 253100164 /nfs/dbraw/zinc/10/01/64/253100164.db2.gz APRZNEOWJWWJLC-KGLIPLIRSA-N 0 3 310.344 3.207 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\C(C)(C)C ZINC000254939938 285113787 /nfs/dbraw/zinc/11/37/87/285113787.db2.gz VYMWSGKVSDDPJC-KTKRTIGZSA-N 0 3 313.445 3.051 20 30 DGEDHN CO[C@H](C)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000443008547 533097523 /nfs/dbraw/zinc/09/75/23/533097523.db2.gz UYVNXGKWLRWQHE-OAHLLOKOSA-N 0 3 310.397 3.262 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1cccc(F)c1C#N ZINC000342796083 254052709 /nfs/dbraw/zinc/05/27/09/254052709.db2.gz OTBLBHCQWNAHOA-UHFFFAOYSA-N 0 3 317.408 3.035 20 30 DGEDHN CCN(CCC#N)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000157633499 197204064 /nfs/dbraw/zinc/20/40/64/197204064.db2.gz BIUDSIRRIOQBCC-UHFFFAOYSA-N 0 3 313.445 3.051 20 30 DGEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2C2CCC2)cc1Cl ZINC000343013480 254087476 /nfs/dbraw/zinc/08/74/76/254087476.db2.gz ZFXIFOQBTJLTLI-INIZCTEOSA-N 0 3 317.820 3.415 20 30 DGEDHN CC(C)[C@H](CNCc1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000343106868 254100663 /nfs/dbraw/zinc/10/06/63/254100663.db2.gz ZUDCAFXYAKJKCJ-FQEVSTJZSA-N 0 3 323.440 3.324 20 30 DGEDHN Cc1ccnc(NC[C@@H]2CCCN2Cc2ccccc2)c1C#N ZINC000343483324 254149973 /nfs/dbraw/zinc/14/99/73/254149973.db2.gz WTDIOQYPWYIKQP-KRWDZBQOSA-N 0 3 306.413 3.338 20 30 DGEDHN CN(CCCN(C)c1c(F)cc(C#N)cc1F)Cc1ccco1 ZINC000343757034 254185145 /nfs/dbraw/zinc/18/51/45/254185145.db2.gz BVDLOJKMFILQOD-UHFFFAOYSA-N 0 3 319.355 3.388 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OC1CCCC1 ZINC000345813519 533128476 /nfs/dbraw/zinc/12/84/76/533128476.db2.gz JTURPIRIVVDRRN-OLZOCXBDSA-N 0 3 316.401 3.353 20 30 DGEDHN C#CCN(CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000491746307 533133937 /nfs/dbraw/zinc/13/39/37/533133937.db2.gz YTLYKAXNQOKFGE-UHFFFAOYSA-N 0 3 323.421 3.084 20 30 DGEDHN COc1cc2c(cc1CNCC(C)(C)CCC#N)O[C@H](C)C2 ZINC000174261875 533159972 /nfs/dbraw/zinc/15/99/72/533159972.db2.gz MRYNBHLXEJLYQX-CYBMUJFWSA-N 0 3 302.418 3.438 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000153358482 196872434 /nfs/dbraw/zinc/87/24/34/196872434.db2.gz GSCRRLXXIRTWHH-YLJYHZDGSA-N 0 3 323.436 3.343 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1OC)[C@H]1CCOC(C)(C)C1 ZINC000289730371 221185430 /nfs/dbraw/zinc/18/54/30/221185430.db2.gz IZDGQGCOPMYQAG-INIZCTEOSA-N 0 3 302.418 3.346 20 30 DGEDHN N#Cc1ccc(OC2CCN(C[C@H]3CCC=CO3)CC2)c(F)c1 ZINC000289821522 221248650 /nfs/dbraw/zinc/24/86/50/221248650.db2.gz TYTAEJIMFFRIKD-MRXNPFEDSA-N 0 3 316.376 3.233 20 30 DGEDHN COc1sc(CNCC2(CC#N)CC2)cc1Br ZINC000430020844 533309486 /nfs/dbraw/zinc/30/94/86/533309486.db2.gz PTMMYQFOHYWXJD-UHFFFAOYSA-N 0 3 315.236 3.303 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(OCC#N)cc1 ZINC000182004177 533446640 /nfs/dbraw/zinc/44/66/40/533446640.db2.gz XENHJFLEGFDWGO-OAHLLOKOSA-N 0 3 321.380 3.342 20 30 DGEDHN COc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433123506 533490901 /nfs/dbraw/zinc/49/09/01/533490901.db2.gz ZJBGOHKGIUOGFW-GOSISDBHSA-N 0 3 322.408 3.126 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600523750 400087565 /nfs/dbraw/zinc/08/75/65/400087565.db2.gz VAMRJOZUWOGRHY-XPTSAGLGSA-N 0 3 301.777 3.475 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(C#N)cc1F ZINC000595061511 400095176 /nfs/dbraw/zinc/09/51/76/400095176.db2.gz OMOHUGXCQLLUAI-WKOIZYLHSA-N 0 3 308.422 3.038 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(C#N)CCCC1 ZINC000066726577 400112394 /nfs/dbraw/zinc/11/23/94/400112394.db2.gz MORBSCJTAQKMER-UHFFFAOYSA-N 0 3 313.445 3.181 20 30 DGEDHN CSc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000595255895 400114544 /nfs/dbraw/zinc/11/45/44/400114544.db2.gz JRVBBNLAOYIVGM-NSHDSACASA-N 0 3 311.838 3.412 20 30 DGEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000090883587 400081631 /nfs/dbraw/zinc/08/16/31/400081631.db2.gz BBIDKNQWRBPJNC-ZDUSSCGKSA-N 0 3 302.418 3.160 20 30 DGEDHN CN(C)CCOc1ccc(CNc2cc(F)cc(C#N)c2)cc1 ZINC000600860207 400171637 /nfs/dbraw/zinc/17/16/37/400171637.db2.gz FWVXUMWRLCTXSS-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN CN(c1cnccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000091730781 400133540 /nfs/dbraw/zinc/13/35/40/400133540.db2.gz WFNYVMTVVMKZLG-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN COc1ccc2c(c1)CCCN(CCOc1ccccc1C#N)C2 ZINC000609133917 400142097 /nfs/dbraw/zinc/14/20/97/400142097.db2.gz KRBWQIPZUOJDDP-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000012675891 400150103 /nfs/dbraw/zinc/15/01/03/400150103.db2.gz TVPSCZRBPUKBEF-FNHZYXHNSA-N 0 3 313.445 3.170 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1cccc(C#N)c1 ZINC000586790274 400157672 /nfs/dbraw/zinc/15/76/72/400157672.db2.gz IKSPBMXLPBBMBJ-STQMWFEESA-N 0 3 321.380 3.301 20 30 DGEDHN Cc1noc(C)c1[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000586790077 400157680 /nfs/dbraw/zinc/15/76/80/400157680.db2.gz VGUYMINPCQSNMU-CYBMUJFWSA-N 0 3 324.428 3.483 20 30 DGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000595660027 400221565 /nfs/dbraw/zinc/22/15/65/400221565.db2.gz QJXDXIVGQVONMZ-HZPDHXFCSA-N 0 3 303.450 3.006 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000588928769 400246560 /nfs/dbraw/zinc/24/65/60/400246560.db2.gz UIYXTEDXJKEZFT-HNNXBMFYSA-N 0 3 318.779 3.216 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1[nH]nc(C)c1C(=O)OCC ZINC000595603283 400200246 /nfs/dbraw/zinc/20/02/46/400200246.db2.gz LVXQEXONSUMYFN-UONOGXRCSA-N 0 3 305.422 3.119 20 30 DGEDHN N#CCCCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000588275895 400206798 /nfs/dbraw/zinc/20/67/98/400206798.db2.gz CCSWSBOGCKSJQT-SFHVURJKSA-N 0 3 313.445 3.414 20 30 DGEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000595612614 400207142 /nfs/dbraw/zinc/20/71/42/400207142.db2.gz YMLORPNREGDKQJ-LBPRGKRZSA-N 0 3 323.799 3.433 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)CCCCCC#N)N(C)C)cc1 ZINC000588326785 400210679 /nfs/dbraw/zinc/21/06/79/400210679.db2.gz UIPIMDMYAOTUTF-KRWDZBQOSA-N 0 3 301.434 3.188 20 30 DGEDHN Cc1ccccc1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000026224069 400254924 /nfs/dbraw/zinc/25/49/24/400254924.db2.gz CZXISHHIPQWRJR-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595825772 400271168 /nfs/dbraw/zinc/27/11/68/400271168.db2.gz GNNAGUOPEVDBEP-LJQANCHMSA-N 0 3 321.424 3.278 20 30 DGEDHN CC(C)CCN(CCC(C)C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000610657210 400285461 /nfs/dbraw/zinc/28/54/61/400285461.db2.gz LCAQSEMHDBSAFA-SFHVURJKSA-N 0 3 309.498 3.435 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccccc1Br ZINC000610672393 400288151 /nfs/dbraw/zinc/28/81/51/400288151.db2.gz QZCYBYLAZGONRO-MFKMUULPSA-N 0 3 307.191 3.272 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1nc2ncccc2cc1C#N ZINC000596120169 400323396 /nfs/dbraw/zinc/32/33/96/400323396.db2.gz IHNJSEGIPQICNB-ZIAGYGMSSA-N 0 3 309.417 3.176 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000068839351 400294651 /nfs/dbraw/zinc/29/46/51/400294651.db2.gz QXQHVZSMJBUZQG-JKSUJKDBSA-N 0 3 316.445 3.325 20 30 DGEDHN C[C@@H](NC(=O)c1ccccc1CC#N)[C@@H](c1ccccc1)N(C)C ZINC000601456782 400303004 /nfs/dbraw/zinc/30/30/04/400303004.db2.gz XTHGUZPNTRFZJH-BEFAXECRSA-N 0 3 321.424 3.174 20 30 DGEDHN CC1CCN([C@@H](CNc2c(C#N)cnn2C)c2ccccc2)CC1 ZINC000596088488 400314405 /nfs/dbraw/zinc/31/44/05/400314405.db2.gz SMAHYBUKDGXSNO-SFHVURJKSA-N 0 3 323.444 3.177 20 30 DGEDHN COC(=O)C[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000610859202 400315499 /nfs/dbraw/zinc/31/54/99/400315499.db2.gz OVYWVRIJDLZBIR-MRXNPFEDSA-N 0 3 314.429 3.405 20 30 DGEDHN N#Cc1nc(N2CCN(CC3CCCCC3)CC2)sc1Cl ZINC000596099156 400317605 /nfs/dbraw/zinc/31/76/05/400317605.db2.gz SQNJGJWYQLLUIP-UHFFFAOYSA-N 0 3 324.881 3.370 20 30 DGEDHN Cc1ccc(OC[C@@H](O)CN2CCC(CCC#N)CC2)c(C)c1 ZINC000578129764 400325880 /nfs/dbraw/zinc/32/58/80/400325880.db2.gz ATCIYYHVAMBSKJ-SFHVURJKSA-N 0 3 316.445 3.059 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784854 400258107 /nfs/dbraw/zinc/25/81/07/400258107.db2.gz BZFRRKASFRLCJG-APWZRJJASA-N 0 3 314.429 3.348 20 30 DGEDHN N#Cc1ccc(OCCN2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000595784844 400258183 /nfs/dbraw/zinc/25/81/83/400258183.db2.gz BXARCHKEXVGVAA-IBGZPJMESA-N 0 3 314.429 3.218 20 30 DGEDHN CC(C)[C@@H](CNc1ncccc1C#N)N1CCc2ccccc2C1 ZINC000026727803 400262105 /nfs/dbraw/zinc/26/21/05/400262105.db2.gz CIHSMSMAINKLOY-LJQANCHMSA-N 0 3 320.440 3.448 20 30 DGEDHN COc1cc2nccc(N3CCC[C@@H](CC#N)C3)c2cc1OC ZINC000596325656 400380615 /nfs/dbraw/zinc/38/06/15/400380615.db2.gz LGYFFZQLMIRUMJ-ZDUSSCGKSA-N 0 3 311.385 3.382 20 30 DGEDHN CCC(C)(C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000072633234 400394421 /nfs/dbraw/zinc/39/44/21/400394421.db2.gz LKKOIKFGKHINOI-UHFFFAOYSA-N 0 3 305.447 3.361 20 30 DGEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)CCc1ccccc1 ZINC000590407671 400384233 /nfs/dbraw/zinc/38/42/33/400384233.db2.gz FXYCOPBNKMBJPW-UHFFFAOYSA-N 0 3 302.462 3.412 20 30 DGEDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000611387123 400390103 /nfs/dbraw/zinc/39/01/03/400390103.db2.gz FLTIXLYBCPFVMS-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN CCc1cccc(OC[C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611388601 400390398 /nfs/dbraw/zinc/39/03/98/400390398.db2.gz PUQPAIDFGUCSFJ-KXBFYZLASA-N 0 3 324.424 3.211 20 30 DGEDHN COC(=O)c1cccc(OCCN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611388367 400390404 /nfs/dbraw/zinc/39/04/04/400390404.db2.gz GPBMVMHFZMFXSQ-CQSZACIVSA-N 0 3 324.380 3.074 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000030532756 400328740 /nfs/dbraw/zinc/32/87/40/400328740.db2.gz FGRBSMDZEOTPML-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN CCN1CCN(c2cccc(NC[C@H](C)CCC#N)c2)CC1 ZINC000589821906 400331777 /nfs/dbraw/zinc/33/17/77/400331777.db2.gz BHUOPEAYCPGMDL-MRXNPFEDSA-N 0 3 300.450 3.180 20 30 DGEDHN N#Cc1cc(F)cc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000601712502 400338210 /nfs/dbraw/zinc/33/82/10/400338210.db2.gz WOCWQALRFHYFGV-MRXNPFEDSA-N 0 3 301.365 3.043 20 30 DGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCCC[C@@H]1O ZINC000579599619 400340796 /nfs/dbraw/zinc/34/07/96/400340796.db2.gz USILRTCVYXWNFG-ROUUACIJSA-N 0 3 305.466 3.393 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1c2ccccc2C[C@H]1O ZINC000611393802 400392436 /nfs/dbraw/zinc/39/24/36/400392436.db2.gz MDOHMCFADYFNBW-ZCNNSNEGSA-N 0 3 304.393 3.184 20 30 DGEDHN CC1(CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCC1 ZINC000590113049 400357437 /nfs/dbraw/zinc/35/74/37/400357437.db2.gz DMULGVVLKYXSMU-KRWDZBQOSA-N 0 3 301.409 3.198 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000111492018 400364550 /nfs/dbraw/zinc/36/45/50/400364550.db2.gz WZRMFNZYXSZXDS-SFHVURJKSA-N 0 3 315.461 3.205 20 30 DGEDHN N#Cc1cnnc(S[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000596275588 400368971 /nfs/dbraw/zinc/36/89/71/400368971.db2.gz WAJSSZYRVMQTBG-MRXNPFEDSA-N 0 3 310.426 3.105 20 30 DGEDHN Cc1cc(NC[C@@H]2CCN2C(C)(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596309154 400376801 /nfs/dbraw/zinc/37/68/01/400376801.db2.gz PFCGYDCNLDCFOD-AWEZNQCLSA-N 0 3 302.378 3.060 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1ncc(Br)cc1C#N ZINC000596309869 400376807 /nfs/dbraw/zinc/37/68/07/400376807.db2.gz YWHMZOVWEYALEV-LBPRGKRZSA-N 0 3 323.238 3.000 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1nc2cc(Cl)ccn2c1C#N ZINC000596309529 400376880 /nfs/dbraw/zinc/37/68/80/400376880.db2.gz TWPOZMNCQZPHRK-LBPRGKRZSA-N 0 3 317.824 3.144 20 30 DGEDHN CN(C)CCOc1ccc(CNc2cccc(CC#N)c2)cc1 ZINC000590662284 400412322 /nfs/dbraw/zinc/41/23/22/400412322.db2.gz LYEBLPNZLYQZBL-UHFFFAOYSA-N 0 3 309.413 3.305 20 30 DGEDHN N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C2CCCCC2)C1 ZINC000596480937 400425862 /nfs/dbraw/zinc/42/58/62/400425862.db2.gz UTNINAFNALHWFX-CQSZACIVSA-N 0 3 314.389 3.285 20 30 DGEDHN CC[C@H](CN1CCCC1)Nc1ncc(Br)cc1C#N ZINC000590690361 400417029 /nfs/dbraw/zinc/41/70/29/400417029.db2.gz SOWBGOSGIPKCFJ-CYBMUJFWSA-N 0 3 323.238 3.002 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CC)CC2)CC1 ZINC000117493410 400418634 /nfs/dbraw/zinc/41/86/34/400418634.db2.gz TVIJJZDOFYWJKY-INIZCTEOSA-N 0 3 307.482 3.249 20 30 DGEDHN Cc1cccc([C@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000590765495 400430691 /nfs/dbraw/zinc/43/06/91/400430691.db2.gz ORNVSCRMXRQBPB-QFBILLFUSA-N 0 3 324.424 3.152 20 30 DGEDHN C=C(C)COc1cc(CNC[C@](C)(O)CCC)ccc1OC ZINC000602278470 400432922 /nfs/dbraw/zinc/43/29/22/400432922.db2.gz WNCUKNNTCWTOBB-GOSISDBHSA-N 0 3 307.434 3.291 20 30 DGEDHN N#Cc1cc(F)ccc1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602286853 400433944 /nfs/dbraw/zinc/43/39/44/400433944.db2.gz OMSPOHVJAIHIEH-HNNXBMFYSA-N 0 3 323.371 3.158 20 30 DGEDHN CCCN(CC(=O)Nc1ccccc1OC)C[C@@H](C)CCC#N ZINC000602435335 400460292 /nfs/dbraw/zinc/46/02/92/400460292.db2.gz SMKBVOLKMZRTED-HNNXBMFYSA-N 0 3 317.433 3.286 20 30 DGEDHN N#CCN1CCC(NCc2csc(Cl)c2Cl)CC1 ZINC000617790285 400455889 /nfs/dbraw/zinc/45/58/89/400455889.db2.gz SJGXKBHLRKAXPG-UHFFFAOYSA-N 0 3 304.246 3.132 20 30 DGEDHN COc1cc(F)cc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602575418 400501887 /nfs/dbraw/zinc/50/18/87/400501887.db2.gz HNPNHWBHVFZKKS-ZDUSSCGKSA-N 0 3 306.381 3.023 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc2ccccn12 ZINC000591357587 400513735 /nfs/dbraw/zinc/51/37/35/400513735.db2.gz SFJRHFZKASPIEB-SFHVURJKSA-N 0 3 302.381 3.373 20 30 DGEDHN CCN(CC(=O)Nc1c(F)cccc1F)C[C@@H](C)CCC#N ZINC000602434399 400461412 /nfs/dbraw/zinc/46/14/12/400461412.db2.gz QQDBCLHVSRHEIF-LBPRGKRZSA-N 0 3 309.360 3.165 20 30 DGEDHN C[C@H](CCC#N)CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000602476783 400473414 /nfs/dbraw/zinc/47/34/14/400473414.db2.gz WGWVOSOXLNRWJI-CZUORRHYSA-N 0 3 319.836 3.317 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@H](C)CCC#N ZINC000602494526 400479251 /nfs/dbraw/zinc/47/92/51/400479251.db2.gz POIPSEKYEHIJDK-OAHLLOKOSA-N 0 3 300.450 3.099 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](c1ccsc1)N(C)C ZINC000602512732 400483993 /nfs/dbraw/zinc/48/39/93/400483993.db2.gz SYBOEFUSWLDNIW-ZBFHGGJFSA-N 0 3 321.490 3.039 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(-n2cccn2)cc1 ZINC000602513869 400485119 /nfs/dbraw/zinc/48/51/19/400485119.db2.gz FPFCFQLNGSPADM-MRXNPFEDSA-N 0 3 324.428 3.061 20 30 DGEDHN Cc1ccnc(NCC2(N3CCSCC3)CCCC2)c1C#N ZINC000612070446 400485986 /nfs/dbraw/zinc/48/59/86/400485986.db2.gz NJDNGICCYKCBRR-UHFFFAOYSA-N 0 3 316.474 3.035 20 30 DGEDHN N#Cc1cccc(CNCCc2ccc(OC(F)(F)F)cc2)n1 ZINC000602516428 400486043 /nfs/dbraw/zinc/48/60/43/400486043.db2.gz LICKKKRJEZTACI-UHFFFAOYSA-N 0 3 321.302 3.184 20 30 DGEDHN Cc1ccc([C@@H](CNCc2cccc(C#N)n2)N2CCCC2)cc1 ZINC000602534417 400490839 /nfs/dbraw/zinc/49/08/39/400490839.db2.gz SINGDOQHZNPAPT-HXUWFJFHSA-N 0 3 320.440 3.188 20 30 DGEDHN COc1ccccc1C1(CNCc2cccc(C#N)n2)CCC1 ZINC000602616130 400513001 /nfs/dbraw/zinc/51/30/01/400513001.db2.gz KSFUJFYGEDNVIO-UHFFFAOYSA-N 0 3 307.397 3.173 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617974672 400495540 /nfs/dbraw/zinc/49/55/40/400495540.db2.gz VRRUYWLSCWLXOH-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618351118 400570850 /nfs/dbraw/zinc/57/08/50/400570850.db2.gz PZYHYWFJBGMWLU-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN COCCCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000597173564 400576052 /nfs/dbraw/zinc/57/60/52/400576052.db2.gz JZXBDJCAJYICJO-MRXNPFEDSA-N 0 3 302.418 3.228 20 30 DGEDHN C[C@H](CCC#N)CN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000602628940 400516703 /nfs/dbraw/zinc/51/67/03/400516703.db2.gz ZZLKARGZRNJZSA-NEPJUHHUSA-N 0 3 302.353 3.466 20 30 DGEDHN COC[C@H](CNCc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602675328 400535993 /nfs/dbraw/zinc/53/59/93/400535993.db2.gz MGZRSFDMVQZTIB-AWEZNQCLSA-N 0 3 315.804 3.126 20 30 DGEDHN CN(C)CCN(C(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000596992731 400536162 /nfs/dbraw/zinc/53/61/62/400536162.db2.gz FDVHSDCTOOFNEW-UHFFFAOYSA-N 0 3 313.445 3.445 20 30 DGEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000597010716 400539321 /nfs/dbraw/zinc/53/93/21/400539321.db2.gz OPRNOWVBVXSPEC-KRWDZBQOSA-N 0 3 324.424 3.017 20 30 DGEDHN CCCCCNC(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000046065277 400548418 /nfs/dbraw/zinc/54/84/18/400548418.db2.gz GEEKBSDIJGIGSG-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN COc1cccc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046086576 400549309 /nfs/dbraw/zinc/54/93/09/400549309.db2.gz PRYMRYWJWXBUGE-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCCC(=O)Nc1ccccc1F ZINC000591763883 400554589 /nfs/dbraw/zinc/55/45/89/400554589.db2.gz PESCMAAESDTRHL-KRWDZBQOSA-N 0 3 323.371 3.303 20 30 DGEDHN CC(C)(CC#N)CNC[C@@H](O)COc1ccc2ccccc2c1 ZINC000591770103 400554788 /nfs/dbraw/zinc/55/47/88/400554788.db2.gz AFSYEOARZIRUBW-QGZVFWFLSA-N 0 3 312.413 3.109 20 30 DGEDHN Cc1ncc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)s1 ZINC000602957865 400614559 /nfs/dbraw/zinc/61/45/59/400614559.db2.gz VEVSXXAAOAEUKJ-LLVKDONJSA-N 0 3 314.414 3.003 20 30 DGEDHN CN(C)CCN(Cc1ccco1)C(=O)CC1(C#N)CCCCC1 ZINC000597370995 400621092 /nfs/dbraw/zinc/62/10/92/400621092.db2.gz UNEUFZBNODZBMR-UHFFFAOYSA-N 0 3 317.433 3.034 20 30 DGEDHN CC[C@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C#N)cc1 ZINC000618571793 400627224 /nfs/dbraw/zinc/62/72/24/400627224.db2.gz ZNUFAMAGBFGPPZ-ROUUACIJSA-N 0 3 313.445 3.246 20 30 DGEDHN N#CCC1(CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)CC1 ZINC000602846489 400589815 /nfs/dbraw/zinc/58/98/15/400589815.db2.gz OSNPGUGZCJJTJD-QAQDUYKDSA-N 0 3 314.429 3.192 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H](C)C1CC1)C(C)C ZINC000612728662 400592220 /nfs/dbraw/zinc/59/22/20/400592220.db2.gz HANFRUVKBJCFDB-NVXWUHKLSA-N 0 3 307.482 3.125 20 30 DGEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCc2ccccc21 ZINC000597238317 400596521 /nfs/dbraw/zinc/59/65/21/400596521.db2.gz GUMWCLYSPOJCTB-KRWDZBQOSA-N 0 3 316.408 3.368 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@](C)(CC)c1ccc(F)cc1 ZINC000602924239 400609306 /nfs/dbraw/zinc/60/93/06/400609306.db2.gz MMFTXWPLGOKODZ-KDOFPFPSSA-N 0 3 319.424 3.049 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncccc1F ZINC000597589963 400650018 /nfs/dbraw/zinc/65/00/18/400650018.db2.gz ZNJNTHWUKYHCDW-HIFRSBDPSA-N 0 3 311.360 3.170 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)CC1(C#N)CCCCC1 ZINC000597646982 400655554 /nfs/dbraw/zinc/65/55/54/400655554.db2.gz IRGCJRLAUXBSIN-UHFFFAOYSA-N 0 3 305.466 3.185 20 30 DGEDHN CN(C)[C@@H](CNc1snc(Cl)c1C#N)Cc1ccccc1 ZINC000076460907 400655726 /nfs/dbraw/zinc/65/57/26/400655726.db2.gz NQQZWFDPDBZVFS-GFCCVEGCSA-N 0 3 320.849 3.253 20 30 DGEDHN Cc1ccccc1[C@H](NCc1cnc2c(C#N)cnn2c1)C(C)C ZINC000592504850 400659478 /nfs/dbraw/zinc/65/94/78/400659478.db2.gz AQGNVYZHOGUKPQ-GOSISDBHSA-N 0 3 319.412 3.396 20 30 DGEDHN CC(C)CCN(CCC(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000592496252 400659684 /nfs/dbraw/zinc/65/96/84/400659684.db2.gz DVMQQSPPGYJDQW-UHFFFAOYSA-N 0 3 313.449 3.495 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)CC#N)N(CC)CC)cc1 ZINC000597691948 400661297 /nfs/dbraw/zinc/66/12/97/400661297.db2.gz JIPARINELHTBJN-MAUKXSAKSA-N 0 3 315.461 3.298 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513096 400661670 /nfs/dbraw/zinc/66/16/70/400661670.db2.gz VVMVDQFETIHXEA-RDTXWAMCSA-N 0 3 317.396 3.184 20 30 DGEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(OC)c1 ZINC000618742295 400680441 /nfs/dbraw/zinc/68/04/41/400680441.db2.gz MAFKVOPEPQPUPO-IBGZPJMESA-N 0 3 308.381 3.353 20 30 DGEDHN Cc1cccn2c(CN[C@H]3CCc4cc(C#N)ccc43)cnc12 ZINC000618742234 400680477 /nfs/dbraw/zinc/68/04/77/400680477.db2.gz UKOVLNPXVUAKCB-SFHVURJKSA-N 0 3 302.381 3.292 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCCC2)nc1 ZINC000618741998 400680558 /nfs/dbraw/zinc/68/05/58/400680558.db2.gz OLXWGUSNXQIQSS-LJQANCHMSA-N 0 3 318.424 3.331 20 30 DGEDHN CCC1CCC(N(CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)CC1 ZINC000052103500 400719430 /nfs/dbraw/zinc/71/94/30/400719430.db2.gz UGTMXKXNTTXKGD-GSQSYGFSSA-N 0 3 317.477 3.228 20 30 DGEDHN CN(C)CCOc1ccc(CNc2ccc(CC#N)cc2)cc1 ZINC000603835207 400720949 /nfs/dbraw/zinc/72/09/49/400720949.db2.gz YEXRSZXGAGBSCN-UHFFFAOYSA-N 0 3 309.413 3.305 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000158452852 400725739 /nfs/dbraw/zinc/72/57/39/400725739.db2.gz DZIDIPAOJHUIAT-RDJZCZTQSA-N 0 3 305.466 3.086 20 30 DGEDHN Cc1cc(C)c(C#N)c(N2CCN(CCC(C)(C)C)CC2)n1 ZINC000603942713 400735079 /nfs/dbraw/zinc/73/50/79/400735079.db2.gz LYUQOPSJPQFFCU-UHFFFAOYSA-N 0 3 300.450 3.128 20 30 DGEDHN CC(C)(C#N)CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000613540352 400744641 /nfs/dbraw/zinc/74/46/41/400744641.db2.gz LMYXSKVCEOZUJR-ZFWWWQNUSA-N 0 3 301.390 3.445 20 30 DGEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000613540350 400745071 /nfs/dbraw/zinc/74/50/71/400745071.db2.gz LMYXSKVCEOZUJR-HIFRSBDPSA-N 0 3 301.390 3.445 20 30 DGEDHN C=C(Cl)CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000077790313 400747684 /nfs/dbraw/zinc/74/76/84/400747684.db2.gz GNDMNLUMHOYEIO-UHFFFAOYSA-N 0 3 321.852 3.011 20 30 DGEDHN N#CC[C@@H]1CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000597905442 400692662 /nfs/dbraw/zinc/69/26/62/400692662.db2.gz ZGNDHOFLOSIVNY-INIZCTEOSA-N 0 3 311.429 3.048 20 30 DGEDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000051053337 400693754 /nfs/dbraw/zinc/69/37/54/400693754.db2.gz JQYAVCMOMDSSQD-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000597922623 400698259 /nfs/dbraw/zinc/69/82/59/400698259.db2.gz JMWYZLZHVLGQIB-MSOLQXFVSA-N 0 3 314.429 3.080 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1sccc1C ZINC000077247413 400702002 /nfs/dbraw/zinc/70/20/02/400702002.db2.gz XGHOLOARDFAUDE-UHFFFAOYSA-N 0 3 316.426 3.448 20 30 DGEDHN CC[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N(CC)CC ZINC000597948784 400702120 /nfs/dbraw/zinc/70/21/20/400702120.db2.gz NDOJTPNDWIINOB-MRXNPFEDSA-N 0 3 301.434 3.030 20 30 DGEDHN CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCN(C)C1 ZINC000592829650 400706907 /nfs/dbraw/zinc/70/69/07/400706907.db2.gz UGIVUAKXTTVEDI-ROUUACIJSA-N 0 3 313.445 3.017 20 30 DGEDHN C#C[C@@H](C)NCc1ccc(Br)c(Br)c1 ZINC000166389995 400753725 /nfs/dbraw/zinc/75/37/25/400753725.db2.gz DREGDTAKMMFFIQ-MRVPVSSYSA-N 0 3 317.024 3.323 20 30 DGEDHN CN(C[C@@H]1CCCN(C)C1)c1nc(C(C)(C)C)ccc1C#N ZINC000613426664 400717113 /nfs/dbraw/zinc/71/71/13/400717113.db2.gz JWJUFYRAVVZFMN-CQSZACIVSA-N 0 3 300.450 3.029 20 30 DGEDHN CN(C)[C@@]1(CNc2nc(C(C)(C)C)ccc2C#N)CCSC1 ZINC000613426533 400717599 /nfs/dbraw/zinc/71/75/99/400717599.db2.gz DDLBGWDMDLVOHO-QGZVFWFLSA-N 0 3 318.490 3.100 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000172185702 400814946 /nfs/dbraw/zinc/81/49/46/400814946.db2.gz HRIMIBQMWYCGRW-INIZCTEOSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000604912420 400815129 /nfs/dbraw/zinc/81/51/29/400815129.db2.gz ZMSGSJRKSCNZQH-YOEHRIQHSA-N 0 3 303.450 3.116 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000598452842 400815371 /nfs/dbraw/zinc/81/53/71/400815371.db2.gz MVEYBBRPYVFDGT-QMTHXVAHSA-N 0 3 321.218 3.492 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](CCF)C1 ZINC000598222653 400764813 /nfs/dbraw/zinc/76/48/13/400764813.db2.gz BKPNBFOGEQRRDO-SJORKVTESA-N 0 3 302.393 3.357 20 30 DGEDHN C=CCC1(NC(=O)CC2(N3CCOCC3)CCCC2)CCCC1 ZINC000619107596 400769944 /nfs/dbraw/zinc/76/99/44/400769944.db2.gz GJUUWKHLOGQGOP-UHFFFAOYSA-N 0 3 320.477 3.027 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000604393853 400772874 /nfs/dbraw/zinc/77/28/74/400772874.db2.gz IAZGXOZUHASPAB-LNLFQRSKSA-N 0 3 312.457 3.454 20 30 DGEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCCCC1 ZINC000053847180 400799821 /nfs/dbraw/zinc/79/98/21/400799821.db2.gz QHMGEQSGGDPILG-UHFFFAOYSA-N 0 3 305.466 3.326 20 30 DGEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1C#N ZINC000619654673 400878041 /nfs/dbraw/zinc/87/80/41/400878041.db2.gz CRGKPHSARSGOOJ-SFHVURJKSA-N 0 3 303.365 3.216 20 30 DGEDHN CC(C)(C)C[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000179711459 400879967 /nfs/dbraw/zinc/87/99/67/400879967.db2.gz CKTCKFDUUAGJGE-CQSZACIVSA-N 0 3 307.825 3.047 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000180019372 400881737 /nfs/dbraw/zinc/88/17/37/400881737.db2.gz JSLJBANTBRYGGG-YXAMBPQSSA-N 0 3 306.837 3.317 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000180466509 400883984 /nfs/dbraw/zinc/88/39/84/400883984.db2.gz YJPKZQPFRNCZGZ-HNNXBMFYSA-N 0 3 303.450 3.292 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc4c3CCC4)C2)nc1 ZINC000593629355 400883965 /nfs/dbraw/zinc/88/39/65/400883965.db2.gz MJAKYFOOILELJT-SFHVURJKSA-N 0 3 319.408 3.095 20 30 DGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598586853 400837471 /nfs/dbraw/zinc/83/74/71/400837471.db2.gz JGINMMBANFPXII-NVXWUHKLSA-N 0 3 302.418 3.133 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccccc2F)CC1 ZINC000598591878 400838300 /nfs/dbraw/zinc/83/83/00/400838300.db2.gz DMYIGFMHOOYLSW-OAHLLOKOSA-N 0 3 304.409 3.306 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000598595732 400839842 /nfs/dbraw/zinc/83/98/42/400839842.db2.gz GZAMFCFCVFHBMW-ZIAGYGMSSA-N 0 3 322.836 3.094 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(OCC2CCCCC2)CC1 ZINC000598594408 400840560 /nfs/dbraw/zinc/84/05/60/400840560.db2.gz GQQRILARQDZGJJ-KRWDZBQOSA-N 0 3 322.493 3.348 20 30 DGEDHN Cc1cccc(NC2CCN(C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598594684 400840573 /nfs/dbraw/zinc/84/05/73/400840573.db2.gz CJABQVLWBHTZPL-GOSISDBHSA-N 0 3 315.461 3.172 20 30 DGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1OC(F)F ZINC000598603605 400842580 /nfs/dbraw/zinc/84/25/80/400842580.db2.gz XCTMEYIOCTUGAP-RYUDHWBXSA-N 0 3 312.360 3.239 20 30 DGEDHN C=C(C)[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598608192 400843287 /nfs/dbraw/zinc/84/32/87/400843287.db2.gz LUVDROFDCKDKTR-XJKSGUPXSA-N 0 3 308.372 3.472 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000598618048 400843679 /nfs/dbraw/zinc/84/36/79/400843679.db2.gz UALHTEPITQJKAH-NWDGAFQWSA-N 0 3 306.372 3.198 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000598618046 400843974 /nfs/dbraw/zinc/84/39/74/400843974.db2.gz UALHTEPITQJKAH-NEPJUHHUSA-N 0 3 306.372 3.198 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000598613093 400844699 /nfs/dbraw/zinc/84/46/99/400844699.db2.gz DMVFCKLKYFALMK-CHWSQXEVSA-N 0 3 318.383 3.342 20 30 DGEDHN N#Cc1ccccc1CN1CCNC[C@H]1c1ccccc1Cl ZINC000598680479 400856511 /nfs/dbraw/zinc/85/65/11/400856511.db2.gz YHANIOOTWUHZFV-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN C=CCCC[C@@H](C)N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000182344324 400891730 /nfs/dbraw/zinc/89/17/30/400891730.db2.gz OKJGYWUGGPRNHW-DYVFJYSZSA-N 0 3 304.409 3.480 20 30 DGEDHN C=C[C@@H](Nc1cccc2c1CN([C@H](C)C(C)C)C2)C(=O)OC ZINC000619734818 400895747 /nfs/dbraw/zinc/89/57/47/400895747.db2.gz TUWWMKVGNNZHDO-CZUORRHYSA-N 0 3 302.418 3.186 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182882455 400898852 /nfs/dbraw/zinc/89/88/52/400898852.db2.gz XRGSRFMENJMSAY-CXAGYDPISA-N 0 3 317.408 3.298 20 30 DGEDHN C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccco1 ZINC000593721055 400899348 /nfs/dbraw/zinc/89/93/48/400899348.db2.gz JPRHJVGBRYHXGN-OAHLLOKOSA-N 0 3 309.413 3.466 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000183344691 400901164 /nfs/dbraw/zinc/90/11/64/400901164.db2.gz UCNKRNBERZRWCB-HLLBOEOZSA-N 0 3 307.482 3.151 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000079899789 400905526 /nfs/dbraw/zinc/90/55/26/400905526.db2.gz RBYPRMDVNATFGJ-KBXCAEBGSA-N 0 3 319.424 3.121 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000593825037 400915288 /nfs/dbraw/zinc/91/52/88/400915288.db2.gz CCIJPEHEJAKHOP-OAHLLOKOSA-N 0 3 318.367 3.407 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000194014522 400919644 /nfs/dbraw/zinc/91/96/44/400919644.db2.gz LXULDYGABWEHEM-AEFFLSMTSA-N 0 3 301.434 3.090 20 30 DGEDHN C=CC(C)(C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598985658 400920702 /nfs/dbraw/zinc/92/07/02/400920702.db2.gz XSTQCCCEOOJSNU-UHFFFAOYSA-N 0 3 306.362 3.058 20 30 DGEDHN C=CCCC(C)(C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000620861744 400999857 /nfs/dbraw/zinc/99/98/57/400999857.db2.gz XUYHZIORLHSFIG-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN COc1ccc([C@H](CO)N(C)Cc2ccc(C)c(C#N)c2)cc1 ZINC000599293202 401011593 /nfs/dbraw/zinc/01/15/93/401011593.db2.gz PMJBVWQRSQKPNN-IBGZPJMESA-N 0 3 310.397 3.041 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594069126 400975050 /nfs/dbraw/zinc/97/50/50/400975050.db2.gz CWDBAKJGRUQIEW-RDJZCZTQSA-N 0 3 312.417 3.005 20 30 DGEDHN Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1C#N ZINC000599469297 401057316 /nfs/dbraw/zinc/05/73/16/401057316.db2.gz CTJCXUWFUANYAV-LEWJYISDSA-N 0 3 320.436 3.465 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515494 401066339 /nfs/dbraw/zinc/06/63/39/401066339.db2.gz DFNZVNDFVMUFCT-GJZGRUSLSA-N 0 3 322.399 3.445 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000081534583 401074944 /nfs/dbraw/zinc/07/49/44/401074944.db2.gz WBIOUVVUGQJKHY-HXUWFJFHSA-N 0 3 305.425 3.265 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000081534690 401075554 /nfs/dbraw/zinc/07/55/54/401075554.db2.gz SXHRSYUURUNJQF-IBGZPJMESA-N 0 3 323.415 3.404 20 30 DGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599351032 401029647 /nfs/dbraw/zinc/02/96/47/401029647.db2.gz VIRUINSSGJQBHO-GJZGRUSLSA-N 0 3 302.418 3.179 20 30 DGEDHN N#Cc1ccc(Nc2ccc(CCN3CCSCC3)cc2)nc1 ZINC000057855114 401031247 /nfs/dbraw/zinc/03/12/47/401031247.db2.gz MNIDWTIXSNGITI-UHFFFAOYSA-N 0 3 324.453 3.288 20 30 DGEDHN CCOC(=O)CC1(NCc2ccc(C)c(C#N)c2)CCCC1 ZINC000599393464 401041821 /nfs/dbraw/zinc/04/18/21/401041821.db2.gz KNXVDYDSNFAYIQ-UHFFFAOYSA-N 0 3 300.402 3.222 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@H]2CCC[C@@H]21 ZINC000599655184 401105250 /nfs/dbraw/zinc/10/52/50/401105250.db2.gz OOGVQKFLUKVMMA-KURKYZTESA-N 0 3 312.413 3.030 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594603377 401127446 /nfs/dbraw/zinc/12/74/46/401127446.db2.gz URJNOBQSYRZJIB-QWHCGFSZSA-N 0 3 324.350 3.401 20 30 DGEDHN N#CC(C(=O)c1cnn(CC2CC2)c1)c1ccc2ccccc2n1 ZINC000633894272 401140833 /nfs/dbraw/zinc/14/08/33/401140833.db2.gz GYZPWLBXHQLRHT-MRXNPFEDSA-N 0 3 316.364 3.331 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3ccc(C#N)cc3)cn2)CC1 ZINC000088343367 401197307 /nfs/dbraw/zinc/19/73/07/401197307.db2.gz HZMVKKAMPLIEJG-UHFFFAOYSA-N 0 3 306.413 3.151 20 30 DGEDHN COc1cc2c(c(CNCCc3ccc(C#N)cc3)c1)O[C@@H](C)C2 ZINC000594955400 401204945 /nfs/dbraw/zinc/20/49/45/401204945.db2.gz NYYHAIDGKZGPRO-AWEZNQCLSA-N 0 3 322.408 3.223 20 30 DGEDHN N#Cc1ccc(C2(NCc3ccc(O)cc3)CCOCC2)cc1 ZINC000600206886 401219900 /nfs/dbraw/zinc/21/99/00/401219900.db2.gz GIWBOYYEDVZCTI-UHFFFAOYSA-N 0 3 308.381 3.059 20 30 DGEDHN Cc1ccc([C@H](C)CN2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000600111339 401182354 /nfs/dbraw/zinc/18/23/54/401182354.db2.gz GQGFVRWNKDCOLR-QGZVFWFLSA-N 0 3 320.440 3.187 20 30 DGEDHN CCN(CC)[C@@H](CNc1nnc(C)c(C)c1C#N)c1ccco1 ZINC000064114320 401229986 /nfs/dbraw/zinc/22/99/86/401229986.db2.gz XYFSHOQWHLOOAO-HNNXBMFYSA-N 0 3 313.405 3.053 20 30 DGEDHN CN(C(=O)c1cccc(CN2CCCC2)c1)c1cccc(C#N)c1 ZINC000064320952 401233860 /nfs/dbraw/zinc/23/38/60/401233860.db2.gz AVBOWDLHLMYTIM-UHFFFAOYSA-N 0 3 319.408 3.431 20 30 DGEDHN N#Cc1ccc(NC[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000065202159 401259297 /nfs/dbraw/zinc/25/92/97/401259297.db2.gz USYGJDXQAVSQBT-SFHVURJKSA-N 0 3 306.413 3.277 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(Br)c(F)c1F ZINC000623483445 401529416 /nfs/dbraw/zinc/52/94/16/401529416.db2.gz GNTYNRAYUDBRTB-VIFPVBQESA-N 0 3 320.177 3.002 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCC2=CCCOC2)cc1OC ZINC000623525719 401539843 /nfs/dbraw/zinc/53/98/43/401539843.db2.gz ZAMOVVGRQJRYGW-UHFFFAOYSA-N 0 3 323.820 3.350 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCCN2CCCC2)cc1OC ZINC000623340011 401494356 /nfs/dbraw/zinc/49/43/56/401494356.db2.gz SYBKCODPLOSYAU-UHFFFAOYSA-N 0 3 324.852 3.099 20 30 DGEDHN C=CCN1CCC(Nc2cnc3cc(Cl)ccc3n2)CC1 ZINC000623951723 401603954 /nfs/dbraw/zinc/60/39/54/401603954.db2.gz YGHYUAJGBHTHBB-UHFFFAOYSA-N 0 3 302.809 3.346 20 30 DGEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000637139920 401616178 /nfs/dbraw/zinc/61/61/78/401616178.db2.gz QHWAJYZIMPOUNF-OAGGEKHMSA-N 0 3 319.449 3.316 20 30 DGEDHN COCC1(C#N)CCN(CC[C@@H](C)OCc2ccccc2)CC1 ZINC000342004282 292208104 /nfs/dbraw/zinc/20/81/04/292208104.db2.gz YYCQIARMKMDCNQ-QGZVFWFLSA-N 0 3 316.445 3.234 20 30 DGEDHN CC[C@@H]1CCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000340685721 287056933 /nfs/dbraw/zinc/05/69/33/287056933.db2.gz GBGZKPYJFUVRBQ-QGZVFWFLSA-N 0 3 313.445 3.425 20 30 DGEDHN C[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000185944379 165023093 /nfs/dbraw/zinc/02/30/93/165023093.db2.gz UXODTHGJEKTTGM-RDTXWAMCSA-N 0 3 322.412 3.371 20 30 DGEDHN Cc1csc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191300052 165242571 /nfs/dbraw/zinc/24/25/71/165242571.db2.gz CXNQVMBIDACEFN-CQSZACIVSA-N 0 3 300.431 3.041 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000191498744 165254606 /nfs/dbraw/zinc/25/46/06/165254606.db2.gz WVBWJMMRRZEXDI-SFHVURJKSA-N 0 3 312.388 3.387 20 30 DGEDHN C[C@@H](O)[C@](C)(CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000191712139 165267019 /nfs/dbraw/zinc/26/70/19/165267019.db2.gz MQEUTXJOERRTGF-KDOFPFPSSA-N 0 3 314.454 3.339 20 30 DGEDHN N#CCOc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000269001344 432151028 /nfs/dbraw/zinc/15/10/28/432151028.db2.gz PKCAMNFLDKZFIM-UHFFFAOYSA-N 0 3 313.445 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000171739419 432166134 /nfs/dbraw/zinc/16/61/34/432166134.db2.gz WPVGJCYBGVCZLV-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000171740111 432167402 /nfs/dbraw/zinc/16/74/02/432167402.db2.gz KJRVXLHIGMBJDG-UHFFFAOYSA-N 0 3 321.852 3.132 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1cnn2ccccc12 ZINC000171762015 432169926 /nfs/dbraw/zinc/16/99/26/432169926.db2.gz QXUOCUKZADXZKV-UHFFFAOYSA-N 0 3 322.437 3.229 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000246875122 432176944 /nfs/dbraw/zinc/17/69/44/432176944.db2.gz DLKOXSACPVICAA-ZWKOTPCHSA-N 0 3 319.445 3.003 20 30 DGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000190722639 432185027 /nfs/dbraw/zinc/18/50/27/432185027.db2.gz BTRQZCAJQDIGBP-CYBMUJFWSA-N 0 3 322.412 3.096 20 30 DGEDHN CN(C)Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000269625696 432189611 /nfs/dbraw/zinc/18/96/11/432189611.db2.gz SMPJZPOQBAARNN-UHFFFAOYSA-N 0 3 319.408 3.039 20 30 DGEDHN COCc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190925940 432202069 /nfs/dbraw/zinc/20/20/69/432202069.db2.gz LBALQLSYLKKGNQ-OAHLLOKOSA-N 0 3 317.348 3.266 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000130950148 196125776 /nfs/dbraw/zinc/12/57/76/196125776.db2.gz ILINADYDIUKPLP-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN COCCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000131199825 196149307 /nfs/dbraw/zinc/14/93/07/196149307.db2.gz YCWFGDURANWBQR-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN Cn1cc(CNCCOc2cccc(C(C)(C)C)c2)cc1C#N ZINC000191054150 432215767 /nfs/dbraw/zinc/21/57/67/432215767.db2.gz RDYSAJNXUPINIZ-UHFFFAOYSA-N 0 3 311.429 3.363 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000285059008 287382631 /nfs/dbraw/zinc/38/26/31/287382631.db2.gz DGYYGRPTOKZCGR-MJGOQNOKSA-N 0 3 313.445 3.188 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H](CO)Cc2ccccc2)c1 ZINC000131530881 227024611 /nfs/dbraw/zinc/02/46/11/227024611.db2.gz VSORLBAMWGLWJL-IBGZPJMESA-N 0 3 324.424 3.062 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153346131 227085063 /nfs/dbraw/zinc/08/50/63/227085063.db2.gz PWBADESSHSNGMG-BRWVUGGUSA-N 0 3 311.429 3.054 20 30 DGEDHN C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N1CCCCCC1 ZINC000153422282 227087034 /nfs/dbraw/zinc/08/70/34/227087034.db2.gz BRASTXFJDAQGOW-AEFFLSMTSA-N 0 3 313.445 3.412 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1cccnc1C#N ZINC000291022271 222077951 /nfs/dbraw/zinc/07/79/51/222077951.db2.gz XUEGUBLWZBAPLM-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181998116 228365215 /nfs/dbraw/zinc/36/52/15/228365215.db2.gz MTZQNJNSQJJJHI-DNVCBOLYSA-N 0 3 310.397 3.282 20 30 DGEDHN Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(OCCN(C)C)c1 ZINC000185748111 228397224 /nfs/dbraw/zinc/39/72/24/228397224.db2.gz UNJDBSNSTBHSPF-CVEARBPZSA-N 0 3 301.434 3.430 20 30 DGEDHN Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(OCCN(C)C)c1 ZINC000185748095 228397472 /nfs/dbraw/zinc/39/74/72/228397472.db2.gz UNJDBSNSTBHSPF-HZPDHXFCSA-N 0 3 301.434 3.430 20 30 DGEDHN COCCOc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185863397 228399727 /nfs/dbraw/zinc/39/97/27/228399727.db2.gz MKORPVUFFCOFCI-RDJZCZTQSA-N 0 3 302.418 3.192 20 30 DGEDHN N#Cc1ccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)s1 ZINC000189596517 228487314 /nfs/dbraw/zinc/48/73/14/228487314.db2.gz WOMBYMSKUOCNPO-MFKMUULPSA-N 0 3 318.364 3.193 20 30 DGEDHN CSc1nc(C(C)C)nc(C)c1C(=O)NC1CCN(C)CC1 ZINC000331053340 229015657 /nfs/dbraw/zinc/01/56/57/229015657.db2.gz ZNHOMXGRKZXNPP-UHFFFAOYSA-N 0 3 322.478 3.029 20 30 DGEDHN Cc1cc(C)c(NC(=O)NC[C@H](C)N2CCC(C)CC2)c(C)n1 ZINC000331288467 229028156 /nfs/dbraw/zinc/02/81/56/229028156.db2.gz APLOOWAYIRDVHB-HNNXBMFYSA-N 0 3 318.465 3.453 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000341204759 229095292 /nfs/dbraw/zinc/09/52/92/229095292.db2.gz FPFMVUQXCFCXHX-HDMKZQKVSA-N 0 3 301.434 3.089 20 30 DGEDHN COCC1(C#N)CCN([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000342833513 229119355 /nfs/dbraw/zinc/11/93/55/229119355.db2.gz BUWWPDMXCGEVCF-HNNXBMFYSA-N 0 3 304.409 3.399 20 30 DGEDHN CSc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000337226757 229046192 /nfs/dbraw/zinc/04/61/92/229046192.db2.gz RCWUZQYDNIEYJG-STQMWFEESA-N 0 3 317.458 3.010 20 30 DGEDHN N#CCCOCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000339024806 229073198 /nfs/dbraw/zinc/07/31/98/229073198.db2.gz SCQVTNYVYOQUHA-AWEZNQCLSA-N 0 3 319.474 3.132 20 30 DGEDHN N#CCCOCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000339051986 229073687 /nfs/dbraw/zinc/07/36/87/229073687.db2.gz IGKBKEXIBYYYIZ-UHFFFAOYSA-N 0 3 308.809 3.113 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC(C)(C)C ZINC000339252732 229077647 /nfs/dbraw/zinc/07/76/47/229077647.db2.gz QHSBMAIZSWYOKE-SWKXRBFHSA-N 0 3 307.482 3.284 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OCC(C)C ZINC000345845924 229158534 /nfs/dbraw/zinc/15/85/34/229158534.db2.gz NNTICNNOVALFNG-CHWSQXEVSA-N 0 3 304.390 3.067 20 30 DGEDHN Cc1cc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000348182239 229199522 /nfs/dbraw/zinc/19/95/22/229199522.db2.gz PTXAERFRMOLUJW-GUYCJALGSA-N 0 3 321.380 3.328 20 30 DGEDHN Cc1cc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000348182237 229200129 /nfs/dbraw/zinc/20/01/29/229200129.db2.gz PTXAERFRMOLUJW-CXAGYDPISA-N 0 3 321.380 3.328 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000349823286 229216857 /nfs/dbraw/zinc/21/68/57/229216857.db2.gz UDGWRQJZROGLGA-IRXDYDNUSA-N 0 3 307.397 3.442 20 30 DGEDHN N#CC(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccncn1 ZINC000354455787 229294933 /nfs/dbraw/zinc/29/49/33/229294933.db2.gz BEEAEIWHMRFZID-LLVKDONJSA-N 0 3 309.222 3.125 20 30 DGEDHN COCc1cccc(OCC2(CN3CCC(C#N)CC3)CC2)c1 ZINC000354541052 229298525 /nfs/dbraw/zinc/29/85/25/229298525.db2.gz OELBWFBEGHXGDN-UHFFFAOYSA-N 0 3 314.429 3.228 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1F ZINC000413238979 230163262 /nfs/dbraw/zinc/16/32/62/230163262.db2.gz SWYYEJIZDUUNLK-DYVFJYSZSA-N 0 3 310.376 3.025 20 30 DGEDHN N#Cc1cnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413262224 230170911 /nfs/dbraw/zinc/17/09/11/230170911.db2.gz GVSCENUMKNXZOM-HNNXBMFYSA-N 0 3 310.376 3.026 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)cccc1C#N)c1ccc(F)cc1 ZINC000302423760 230241033 /nfs/dbraw/zinc/24/10/33/230241033.db2.gz JNJCBUBEEBKDON-QGZVFWFLSA-N 0 3 308.360 3.284 20 30 DGEDHN C[C@@H](CCc1cccn1C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433367559 533685532 /nfs/dbraw/zinc/68/55/32/533685532.db2.gz VTWVNNDPYAXVSS-FUHWJXTLSA-N 0 3 323.440 3.235 20 30 DGEDHN C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346203664 263982930 /nfs/dbraw/zinc/98/29/30/263982930.db2.gz RRAHXLJDCDNJMT-CYBMUJFWSA-N 0 3 321.359 3.129 20 30 DGEDHN C[C@H](CO)N(Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000347250069 264183537 /nfs/dbraw/zinc/18/35/37/264183537.db2.gz OZOJAJQGOQALCN-GFCCVEGCSA-N 0 3 324.371 3.285 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000347718500 264272024 /nfs/dbraw/zinc/27/20/24/264272024.db2.gz AAJZSGGKXZPHOA-UHFFFAOYSA-N 0 3 324.384 3.035 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C2CC2)C1 ZINC000534278168 270005195 /nfs/dbraw/zinc/00/51/95/270005195.db2.gz BGPUDPVWRWTPDC-BXUZGUMPSA-N 0 3 317.820 3.271 20 30 DGEDHN COCCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353406830 265420440 /nfs/dbraw/zinc/42/04/40/265420440.db2.gz ALTSKPDKZJTYLO-HXUWFJFHSA-N 0 3 322.408 3.361 20 30 DGEDHN Cn1cc(CNC[C@H](O)c2c(Cl)cccc2Cl)cc1C#N ZINC000191176039 432230993 /nfs/dbraw/zinc/23/09/93/432230993.db2.gz APENDIZHYSMWPJ-AWEZNQCLSA-N 0 3 324.211 3.027 20 30 DGEDHN N#Cc1csc(CN2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000355356854 266048879 /nfs/dbraw/zinc/04/88/79/266048879.db2.gz SIQUVIFLKSZSHA-GOSISDBHSA-N 0 3 312.438 3.189 20 30 DGEDHN CCC[C@@]1(NCc2ccc(C#N)cc2OC(F)F)CCOC1 ZINC000352828934 266073546 /nfs/dbraw/zinc/07/35/46/266073546.db2.gz GCJWCAMITLXOHS-MRXNPFEDSA-N 0 3 310.344 3.208 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)CCOc2ccc(C#N)cc2)C12CCC2 ZINC000357803370 266296357 /nfs/dbraw/zinc/29/63/57/266296357.db2.gz OHJICHDETSRZAV-ZWKOTPCHSA-N 0 3 314.429 3.217 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)CCOc2ccccc2C#N)C1(C)C ZINC000354446005 266302252 /nfs/dbraw/zinc/30/22/52/266302252.db2.gz DYIXMLPWYIAFRT-SJORKVTESA-N 0 3 302.418 3.072 20 30 DGEDHN CC[C@@H](C)NC(=O)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360658919 266358615 /nfs/dbraw/zinc/35/86/15/266358615.db2.gz WIQRCKVFDNQBEX-KDOFPFPSSA-N 0 3 313.445 3.220 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247453142 432232800 /nfs/dbraw/zinc/23/28/00/432232800.db2.gz PIDJVVMIRQZDGB-SQWLQELKSA-N 0 3 321.490 3.395 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1C ZINC000512675974 267007253 /nfs/dbraw/zinc/00/72/53/267007253.db2.gz WKTQNGHUZPLPKM-KRWDZBQOSA-N 0 3 313.445 3.251 20 30 DGEDHN C[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000352407501 267014674 /nfs/dbraw/zinc/01/46/74/267014674.db2.gz UTPPDXVHAJWZED-QAPCUYQASA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000352818838 267074354 /nfs/dbraw/zinc/07/43/54/267074354.db2.gz VBIQLRGPMIVENQ-RNCFNFMXSA-N 0 3 311.248 3.162 20 30 DGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000403971893 267091229 /nfs/dbraw/zinc/09/12/29/267091229.db2.gz BWJPUROYPMEHRZ-BEFAXECRSA-N 0 3 323.415 3.450 20 30 DGEDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000359852934 267133326 /nfs/dbraw/zinc/13/33/26/267133326.db2.gz SDJQSGZRQZQJHH-HNAYVOBHSA-N 0 3 321.424 3.081 20 30 DGEDHN C[C@H](NC[C@@](C)(CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000348285888 267183703 /nfs/dbraw/zinc/18/37/03/267183703.db2.gz XKOGMZBUJPSDGL-LIRRHRJNSA-N 0 3 312.388 3.298 20 30 DGEDHN C[C@H](NC[C@@](C)(CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000348293929 267184486 /nfs/dbraw/zinc/18/44/86/267184486.db2.gz QBYJYRAPRYWRFJ-LIRRHRJNSA-N 0 3 312.388 3.298 20 30 DGEDHN CC[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000527997653 267198208 /nfs/dbraw/zinc/19/82/08/267198208.db2.gz JHRAQVQPGOMFJT-SJLPKXTDSA-N 0 3 305.381 3.162 20 30 DGEDHN C[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000352407502 267212880 /nfs/dbraw/zinc/21/28/80/267212880.db2.gz UTPPDXVHAJWZED-YJBOKZPZSA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000404064078 267233987 /nfs/dbraw/zinc/23/39/87/267233987.db2.gz NDLXGKGPWIJLCS-MGPUTAFESA-N 0 3 323.415 3.307 20 30 DGEDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c(C#N)cn1 ZINC000399458383 267301683 /nfs/dbraw/zinc/30/16/83/267301683.db2.gz UJMSSHCQDQCWGY-BEFAXECRSA-N 0 3 320.440 3.006 20 30 DGEDHN Cc1cc([C@@H]2CCCN2CCCOc2cccc(C#N)c2)on1 ZINC000357174683 267361793 /nfs/dbraw/zinc/36/17/93/267361793.db2.gz WJGDQGWMJCJBJO-KRWDZBQOSA-N 0 3 311.385 3.461 20 30 DGEDHN N#Cc1ccc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000360604240 268065882 /nfs/dbraw/zinc/06/58/82/268065882.db2.gz IWPUGSUPCXQEOC-UHFFFAOYSA-N 0 3 324.399 3.267 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCCC3)nc1)CC2 ZINC000353428569 268223350 /nfs/dbraw/zinc/22/33/50/268223350.db2.gz ROTDSEOYOOTCPH-LJQANCHMSA-N 0 3 318.424 3.331 20 30 DGEDHN N#Cc1ccccc1N1CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000349790845 268276454 /nfs/dbraw/zinc/27/64/54/268276454.db2.gz OBLCKZMREBWPBV-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN COc1cccc(C2CCN(Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000191295354 432246562 /nfs/dbraw/zinc/24/65/62/432246562.db2.gz KKTAWRDHGDGRME-UHFFFAOYSA-N 0 3 309.413 3.285 20 30 DGEDHN CC[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000183019265 432250943 /nfs/dbraw/zinc/25/09/43/432250943.db2.gz FAAJLGXMRWGALP-SRVKXCTJSA-N 0 3 319.474 3.460 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000275497208 273484578 /nfs/dbraw/zinc/48/45/78/273484578.db2.gz UNKOAZFGKSWCFO-NEPJUHHUSA-N 0 3 309.360 3.409 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)cccc1C#N)Cc1ccccc1 ZINC000302868354 273805429 /nfs/dbraw/zinc/80/54/29/273805429.db2.gz ZXIYVQIFRJSWLE-GOSISDBHSA-N 0 3 304.397 3.015 20 30 DGEDHN COC[C@]1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000295125458 274052827 /nfs/dbraw/zinc/05/28/27/274052827.db2.gz AEGRERFLSHWSIG-MRXNPFEDSA-N 0 3 311.347 3.415 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1nc2ccccn2c1C#N ZINC000302181287 274212999 /nfs/dbraw/zinc/21/29/99/274212999.db2.gz NVIUIHDICHBLTG-HNNXBMFYSA-N 0 3 319.412 3.138 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc(C#N)cc1 ZINC000286303872 274255430 /nfs/dbraw/zinc/25/54/30/274255430.db2.gz WWVGZWZHRNFKFZ-OLZOCXBDSA-N 0 3 321.380 3.301 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000443651267 274398244 /nfs/dbraw/zinc/39/82/44/274398244.db2.gz JGHISPIKAKNKMS-IIDMSEBBSA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000286442134 274638710 /nfs/dbraw/zinc/63/87/10/274638710.db2.gz OFSCFJHPTGFMME-AAEUAGOBSA-N 0 3 324.350 3.035 20 30 DGEDHN Cc1nc(NC[C@H](C)N2CCc3ccccc3C2)ccc1C#N ZINC000487915224 429172748 /nfs/dbraw/zinc/17/27/48/429172748.db2.gz VHWIMEKKXUDFFT-AWEZNQCLSA-N 0 3 306.413 3.120 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000180309024 275379183 /nfs/dbraw/zinc/37/91/83/275379183.db2.gz OKBJQCDAEPQRGH-SFHVURJKSA-N 0 3 312.457 3.303 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2cc(Br)ccc21 ZINC000453356715 275751582 /nfs/dbraw/zinc/75/15/82/275751582.db2.gz MIOCBNIRZNDFRY-KFWWJZLASA-N 0 3 308.219 3.370 20 30 DGEDHN CC(C)[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000487147942 276032960 /nfs/dbraw/zinc/03/29/60/276032960.db2.gz KELBZMNEPUXZBY-OAHLLOKOSA-N 0 3 311.351 3.353 20 30 DGEDHN CC[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(C#N)cc1 ZINC000290444100 276593773 /nfs/dbraw/zinc/59/37/73/276593773.db2.gz VQPOBZDOHDCCQL-JENIJYKNSA-N 0 3 308.381 3.094 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000458755663 276880934 /nfs/dbraw/zinc/88/09/34/276880934.db2.gz DFKRWTGOIXDOOQ-GOEBONIOSA-N 0 3 303.450 3.189 20 30 DGEDHN CN1CC[C@H]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000274257230 277178381 /nfs/dbraw/zinc/17/83/81/277178381.db2.gz ZFKZGQIGDRIOQX-XHDPSFHLSA-N 0 3 309.335 3.107 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC12CCN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000496335480 277181528 /nfs/dbraw/zinc/18/15/28/277181528.db2.gz ASVPVUBTQDWLLB-LSDHHAIUSA-N 0 3 319.449 3.154 20 30 DGEDHN CNC(=O)CC[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000286459660 277227660 /nfs/dbraw/zinc/22/76/60/277227660.db2.gz MXRQXFXCUDKUKY-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN C#CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)CCCCC1 ZINC000376402701 277670741 /nfs/dbraw/zinc/67/07/41/277670741.db2.gz KAWAQWRUZJEELL-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)coc1C)C(C)C ZINC000339930935 277849780 /nfs/dbraw/zinc/84/97/80/277849780.db2.gz HHBKRMDIKQKUOC-INIZCTEOSA-N 0 3 304.434 3.325 20 30 DGEDHN C[C@@H]1OCC[C@@]1(C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000494222416 278057884 /nfs/dbraw/zinc/05/78/84/278057884.db2.gz FWTOIOFZILGHAC-SWLSCSKDSA-N 0 3 313.319 3.094 20 30 DGEDHN CS[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1N1CCCC1 ZINC000450459517 278157225 /nfs/dbraw/zinc/15/72/25/278157225.db2.gz XFZXPZMBIYXPTJ-HZPDHXFCSA-N 0 3 321.877 3.228 20 30 DGEDHN CS[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1N1CCCC1 ZINC000445609344 278167604 /nfs/dbraw/zinc/16/76/04/278167604.db2.gz WDPRVDWIVDGSGD-HOTGVXAUSA-N 0 3 321.877 3.228 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2ccccc2)CC1 ZINC000245401973 278184462 /nfs/dbraw/zinc/18/44/62/278184462.db2.gz GKVVILHMOFHVBI-FUHWJXTLSA-N 0 3 313.445 3.017 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN(CCO)[C@@H]1CCCSC1 ZINC000438996611 278259667 /nfs/dbraw/zinc/25/96/67/278259667.db2.gz FQOJZIGLEJDROM-MRXNPFEDSA-N 0 3 318.486 3.178 20 30 DGEDHN C[C@@H]1C[C@H]1N1CCN(c2c(Cl)cccc2C#N)C[C@@H](C)C1 ZINC000488718334 279008279 /nfs/dbraw/zinc/00/82/79/279008279.db2.gz VLCCGIZOADOPPZ-WOSRLPQWSA-N 0 3 303.837 3.378 20 30 DGEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000068455797 431127958 /nfs/dbraw/zinc/12/79/58/431127958.db2.gz FPOUWCYSJWBGII-ZDUSSCGKSA-N 0 3 314.216 3.016 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707272 431137186 /nfs/dbraw/zinc/13/71/86/431137186.db2.gz XOSAXZJNQPKQJO-AWEZNQCLSA-N 0 3 321.380 3.366 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](OCCC)CC1 ZINC000108394123 431140859 /nfs/dbraw/zinc/14/08/59/431140859.db2.gz JKFIZTILRPEBCQ-IRXDYDNUSA-N 0 3 310.482 3.081 20 30 DGEDHN CN(Cc1cccc(C#N)c1)Cc1cc2ccccc2[nH]c1=O ZINC000110106841 431184265 /nfs/dbraw/zinc/18/42/65/431184265.db2.gz GJWLFDMCSJSKTO-UHFFFAOYSA-N 0 3 303.365 3.444 20 30 DGEDHN C=CC1CCN(Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000111259907 431204922 /nfs/dbraw/zinc/20/49/22/431204922.db2.gz LYXDDFUAYPGICL-UHFFFAOYSA-N 0 3 300.446 3.470 20 30 DGEDHN C[C@H](CNC(=O)Nc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000111419023 431218721 /nfs/dbraw/zinc/21/87/21/431218721.db2.gz GQMHZLKEJWJXMY-OAHLLOKOSA-N 0 3 322.412 3.200 20 30 DGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccc2ccccc21 ZINC000070788647 431258161 /nfs/dbraw/zinc/25/81/61/431258161.db2.gz JKYFVKPYKCVXIE-CABCVRRESA-N 0 3 309.413 3.251 20 30 DGEDHN N#CCSCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072517838 431338302 /nfs/dbraw/zinc/33/83/02/431338302.db2.gz LDFISLJSVBCWPX-MRXNPFEDSA-N 0 3 320.458 3.020 20 30 DGEDHN N#CCSCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072517838 431338309 /nfs/dbraw/zinc/33/83/09/431338309.db2.gz LDFISLJSVBCWPX-MRXNPFEDSA-N 0 3 320.458 3.020 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H](O)c2cccc(F)c2)cc1 ZINC000113329162 431343113 /nfs/dbraw/zinc/34/31/13/431343113.db2.gz NIIVRBUCKPKZJO-IBGZPJMESA-N 0 3 313.372 3.051 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H](O)c2cccc(F)c2)cc1 ZINC000113329164 431343208 /nfs/dbraw/zinc/34/32/08/431343208.db2.gz NIIVRBUCKPKZJO-LJQANCHMSA-N 0 3 313.372 3.051 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1cccc(C(=O)NC)c1 ZINC000072960836 431359010 /nfs/dbraw/zinc/35/90/10/431359010.db2.gz JFXGEKLXXCGFHO-UHFFFAOYSA-N 0 3 308.425 3.277 20 30 DGEDHN N#Cc1ccc(CN(CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000074312834 431412259 /nfs/dbraw/zinc/41/22/59/431412259.db2.gz CPTUFAQXCRBZIJ-FQEVSTJZSA-N 0 3 306.409 3.430 20 30 DGEDHN COc1ccc([C@@H]2CCCN2CCCSCC#N)cc1OC ZINC000074980795 431443776 /nfs/dbraw/zinc/44/37/76/431443776.db2.gz IZXICZPQMFPJFU-HNNXBMFYSA-N 0 3 320.458 3.488 20 30 DGEDHN N#CCSCCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000074990139 431447054 /nfs/dbraw/zinc/44/70/54/431447054.db2.gz ZFWYHWPOBHHGGH-OAHLLOKOSA-N 0 3 318.442 3.242 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000075673218 431492584 /nfs/dbraw/zinc/49/25/84/431492584.db2.gz HCWOFLOZOGBOLM-HXUWFJFHSA-N 0 3 311.425 3.252 20 30 DGEDHN C[S@@](=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341708549 280179036 /nfs/dbraw/zinc/17/90/36/280179036.db2.gz TUORTNBIJSEKTP-WMZHIEFXSA-N 0 3 324.449 3.463 20 30 DGEDHN CN(CCc1nc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000077250876 431577471 /nfs/dbraw/zinc/57/74/71/431577471.db2.gz XECKRMKMXRALAT-UHFFFAOYSA-N 0 3 318.380 3.283 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000266276334 280412103 /nfs/dbraw/zinc/41/21/03/280412103.db2.gz SDUBZCDYSGOAFA-KRWDZBQOSA-N 0 3 318.424 3.174 20 30 DGEDHN C=CCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000117876044 431583294 /nfs/dbraw/zinc/58/32/94/431583294.db2.gz FUWUJBBHEYFNIW-UHFFFAOYSA-N 0 3 306.413 3.195 20 30 DGEDHN CCCN(Cc1c[nH]c(C(=O)OC)c1)Cc1ccc(C#N)cc1 ZINC000119270538 431667781 /nfs/dbraw/zinc/66/77/81/431667781.db2.gz FEYARBHPKAQZGV-UHFFFAOYSA-N 0 3 311.385 3.085 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c(C#N)c1C ZINC000119265169 431668441 /nfs/dbraw/zinc/66/84/41/431668441.db2.gz LZFMHLFEYUVJIY-ZIBATOQPSA-N 0 3 303.406 3.121 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000027208075 431687396 /nfs/dbraw/zinc/68/73/96/431687396.db2.gz KHCFVJBLJVPPEG-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN C=CCc1cc(CN(C)CCc2ccccn2)cc(OC)c1O ZINC000120827734 431734502 /nfs/dbraw/zinc/73/45/02/431734502.db2.gz BSMNEXUYOWILIB-UHFFFAOYSA-N 0 3 312.413 3.199 20 30 DGEDHN CCCCCCC[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000120744622 431734978 /nfs/dbraw/zinc/73/49/78/431734978.db2.gz GFYGHRADVGEGEO-GFCCVEGCSA-N 0 3 306.414 3.112 20 30 DGEDHN CCCCCCCN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120744622 431734981 /nfs/dbraw/zinc/73/49/81/431734981.db2.gz GFYGHRADVGEGEO-GFCCVEGCSA-N 0 3 306.414 3.112 20 30 DGEDHN CCN(CCC#N)C(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000079963071 431755759 /nfs/dbraw/zinc/75/57/59/431755759.db2.gz CHKPSSANMKYHLO-MRXNPFEDSA-N 0 3 313.445 3.049 20 30 DGEDHN N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000029177397 431715982 /nfs/dbraw/zinc/71/59/82/431715982.db2.gz WGMIZZKYPCECQY-IBGZPJMESA-N 0 3 319.408 3.125 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000119972687 431719815 /nfs/dbraw/zinc/71/98/15/431719815.db2.gz JVZICDKGRZAAFW-PKOBYXMFSA-N 0 3 312.457 3.349 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCCCC2=O)CC1 ZINC000120107462 431721521 /nfs/dbraw/zinc/72/15/21/431721521.db2.gz OWYUPGBGKXAGKL-OAHLLOKOSA-N 0 3 311.429 3.096 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000120014190 431722102 /nfs/dbraw/zinc/72/21/02/431722102.db2.gz UNYPPRKTTNWVDX-XHDPSFHLSA-N 0 3 303.406 3.217 20 30 DGEDHN CCC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1CCOC ZINC000121758745 431804835 /nfs/dbraw/zinc/80/48/35/431804835.db2.gz VJDLRQDYQYCEIM-QFBILLFUSA-N 0 3 315.461 3.052 20 30 DGEDHN COc1cccc(SCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000031817571 431766118 /nfs/dbraw/zinc/76/61/18/431766118.db2.gz PNOPAOQOSPVXRB-CYBMUJFWSA-N 0 3 318.423 3.429 20 30 DGEDHN COCCN(CCc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000121335181 431773047 /nfs/dbraw/zinc/77/30/47/431773047.db2.gz RKGNPPVIDFCRMQ-UHFFFAOYSA-N 0 3 312.388 3.388 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000041519122 431859597 /nfs/dbraw/zinc/85/95/97/431859597.db2.gz NVWHZCFLLTUXAJ-GFCCVEGCSA-N 0 3 314.366 3.103 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCC2)C1 ZINC000123469613 431866053 /nfs/dbraw/zinc/86/60/53/431866053.db2.gz HJSYQONTOAOKLI-WUJZJPHMSA-N 0 3 317.477 3.182 20 30 DGEDHN COC(=O)[C@H](C)CN(Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000127564074 431975366 /nfs/dbraw/zinc/97/53/66/431975366.db2.gz HALDAWFTGODBEN-CQSZACIVSA-N 0 3 314.429 3.261 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2ccncc2)cc1 ZINC000125513680 431928099 /nfs/dbraw/zinc/92/80/99/431928099.db2.gz ZOIUTPXXMKSPAM-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN COc1cccc(C(=O)C(C#N)c2ccccn2)c1OC(F)F ZINC000049456932 431940448 /nfs/dbraw/zinc/94/04/48/431940448.db2.gz RMEJCUZTKYICHE-LLVKDONJSA-N 0 3 318.279 3.182 20 30 DGEDHN Cc1ccc([C@@H](O)CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126116333 431942739 /nfs/dbraw/zinc/94/27/39/431942739.db2.gz CAUKMEVCHMHAHD-GPJFCIFZSA-N 0 3 306.409 3.242 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)c1cccnc1 ZINC000127869766 431982656 /nfs/dbraw/zinc/98/26/56/431982656.db2.gz MSRFUZSSPXSWRD-AWEZNQCLSA-N 0 3 311.385 3.034 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CCc1cccc2ccccc21 ZINC000101556377 431985645 /nfs/dbraw/zinc/98/56/45/431985645.db2.gz IZBUNDWRWJCNRB-INIZCTEOSA-N 0 3 323.440 3.075 20 30 DGEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1O ZINC000102176062 431991843 /nfs/dbraw/zinc/99/18/43/431991843.db2.gz HODKMCWPSCASJQ-UHFFFAOYSA-N 0 3 308.381 3.437 20 30 DGEDHN Cn1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1C#N ZINC000191475911 432269039 /nfs/dbraw/zinc/26/90/39/432269039.db2.gz YKNNMJJIRIWJMM-KXBFYZLASA-N 0 3 309.413 3.154 20 30 DGEDHN CCN(CCO[C@H]1CCCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000248562792 432301262 /nfs/dbraw/zinc/30/12/62/432301262.db2.gz JXZRJKLTRJSNQC-QAPCUYQASA-N 0 3 302.418 3.484 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCC2 ZINC000191393707 432261127 /nfs/dbraw/zinc/26/11/27/432261127.db2.gz ZGEWAOHYBIUPER-IAGOWNOFSA-N 0 3 301.434 3.066 20 30 DGEDHN Cn1cc(CN(CCCO)[C@@H]2CCCc3ccccc32)cc1C#N ZINC000191415071 432261774 /nfs/dbraw/zinc/26/17/74/432261774.db2.gz ZZCLJPYCOPASBC-HXUWFJFHSA-N 0 3 323.440 3.159 20 30 DGEDHN Cn1cc(CN(CCCO)[C@H]2CCCc3ccccc32)cc1C#N ZINC000191415089 432261915 /nfs/dbraw/zinc/26/19/15/432261915.db2.gz ZZCLJPYCOPASBC-FQEVSTJZSA-N 0 3 323.440 3.159 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000173195804 432263826 /nfs/dbraw/zinc/26/38/26/432263826.db2.gz DCPYTSSKRMILFM-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191951542 432319083 /nfs/dbraw/zinc/31/90/83/432319083.db2.gz RCXFBLJYDPSMCK-MJGOQNOKSA-N 0 3 308.381 3.187 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000248849173 432323354 /nfs/dbraw/zinc/32/33/54/432323354.db2.gz ONLNTUDDLMSFOP-KBAYOESNSA-N 0 3 311.429 3.022 20 30 DGEDHN CC1([C@@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)OCCO1 ZINC000183884231 432331710 /nfs/dbraw/zinc/33/17/10/432331710.db2.gz ILXILULZVNGHRM-MRXNPFEDSA-N 0 3 319.832 3.167 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)C[C@@H](C)c1nccs1 ZINC000183923298 432334232 /nfs/dbraw/zinc/33/42/32/432334232.db2.gz IUGAZUDORCOCNB-GFCCVEGCSA-N 0 3 301.415 3.259 20 30 DGEDHN C=C(C)CN1CCC(NCc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000152579872 432341597 /nfs/dbraw/zinc/34/15/97/432341597.db2.gz UFARISVVGZAOJD-CQSZACIVSA-N 0 3 319.518 3.398 20 30 DGEDHN Cc1nc(C[C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000249406176 432346848 /nfs/dbraw/zinc/34/68/48/432346848.db2.gz WTNJOIGGGDSGHP-CZUORRHYSA-N 0 3 310.401 3.265 20 30 DGEDHN Cc1nc(C)n(C[C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249418025 432347230 /nfs/dbraw/zinc/34/72/30/432347230.db2.gz ZXCLEYGOJZWYKR-KDOFPFPSSA-N 0 3 323.444 3.240 20 30 DGEDHN C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C#N)cc1 ZINC000173886457 432306108 /nfs/dbraw/zinc/30/61/08/432306108.db2.gz VMWQLHSAZMHVHM-OAHLLOKOSA-N 0 3 306.413 3.404 20 30 DGEDHN COc1ccc2c(c1)OC[C@H](N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000270994566 432312960 /nfs/dbraw/zinc/31/29/60/432312960.db2.gz FRMMXOZHQSJSFY-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN C=CC[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000184407051 432387919 /nfs/dbraw/zinc/38/79/19/432387919.db2.gz VOVRYRCBHUVEJL-RRQGHBQHSA-N 0 3 308.853 3.266 20 30 DGEDHN C=CCCOCCN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000271448552 432397220 /nfs/dbraw/zinc/39/72/20/432397220.db2.gz FYBVUSILSYYGIP-OAHLLOKOSA-N 0 3 319.449 3.460 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cn2)n1 ZINC000192690811 432401805 /nfs/dbraw/zinc/40/18/05/432401805.db2.gz QTDRTEHLCVRMKF-WBVHZDCISA-N 0 3 309.417 3.056 20 30 DGEDHN C=CCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000271469290 432402548 /nfs/dbraw/zinc/40/25/48/432402548.db2.gz QUDSNCTYQGQGCQ-GOSISDBHSA-N 0 3 313.445 3.184 20 30 DGEDHN C#CCCCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000192309962 432357843 /nfs/dbraw/zinc/35/78/43/432357843.db2.gz GLFYJZAZRSUKCU-UHFFFAOYSA-N 0 3 306.837 3.034 20 30 DGEDHN CC(C)(C#N)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272018091 432433428 /nfs/dbraw/zinc/43/34/28/432433428.db2.gz MBFITHIRKFGWLH-UHFFFAOYSA-N 0 3 317.389 3.378 20 30 DGEDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000272060050 432438842 /nfs/dbraw/zinc/43/88/42/432438842.db2.gz HRFCGAHAKCTNKE-UHFFFAOYSA-N 0 3 324.424 3.362 20 30 DGEDHN C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)N1CCCCCC1 ZINC000153422385 432408324 /nfs/dbraw/zinc/40/83/24/432408324.db2.gz BRASTXFJDAQGOW-FUHWJXTLSA-N 0 3 313.445 3.412 20 30 DGEDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000271858614 432426677 /nfs/dbraw/zinc/42/66/77/432426677.db2.gz JVSVZHZKDITOHV-DNVCBOLYSA-N 0 3 310.397 3.363 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ncccc1C)C(C)C ZINC000193860663 432505876 /nfs/dbraw/zinc/50/58/76/432505876.db2.gz MBAPWBKZODQCGG-MRXNPFEDSA-N 0 3 316.449 3.210 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1CC(C)C ZINC000155511599 432559033 /nfs/dbraw/zinc/55/90/33/432559033.db2.gz ZDZVOZDXBLOXQM-CYBMUJFWSA-N 0 3 321.384 3.214 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1CC(C)C ZINC000155511723 432559818 /nfs/dbraw/zinc/55/98/18/432559818.db2.gz ZDZVOZDXBLOXQM-ZDUSSCGKSA-N 0 3 321.384 3.214 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C(C)C ZINC000194086296 432523190 /nfs/dbraw/zinc/52/31/90/432523190.db2.gz FDNYVRWOQCYVAI-UHFFFAOYSA-N 0 3 301.434 3.280 20 30 DGEDHN N#CCCCNCC1=Cc2cc(Br)ccc2OC1 ZINC000273031327 432540343 /nfs/dbraw/zinc/54/03/43/432540343.db2.gz GJAXNLVGSSKJJQ-UHFFFAOYSA-N 0 3 307.191 3.118 20 30 DGEDHN C=CCCSc1nnc(CCN2CCCCC2)n1CC=C ZINC000156937603 432610588 /nfs/dbraw/zinc/61/05/88/432610588.db2.gz FEDISVMZESNMOD-UHFFFAOYSA-N 0 3 306.479 3.161 20 30 DGEDHN CC[C@@H](CN(CC)[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000186599074 432611547 /nfs/dbraw/zinc/61/15/47/432611547.db2.gz FDWNLPOCOSOXNN-IRXDYDNUSA-N 0 3 315.461 3.263 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](OCC)[C@@]23CCCO3)c1 ZINC000273595620 432615747 /nfs/dbraw/zinc/61/57/47/432615747.db2.gz KPIMTQDMILYJRT-CEXWTWQISA-N 0 3 317.429 3.068 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000176970230 432570873 /nfs/dbraw/zinc/57/08/73/432570873.db2.gz SLDKMZVLTMYKFG-GFCCVEGCSA-N 0 3 321.446 3.109 20 30 DGEDHN COc1ccc(O[C@@H](C)CNCc2ccc(C#N)s2)cc1 ZINC000176978424 432572258 /nfs/dbraw/zinc/57/22/58/432572258.db2.gz CDTBZDSUMCMKDB-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN CC(=O)c1ccc(C#N)c(N2CCCN(C3CCCC3)CC2)c1 ZINC000273248945 432573091 /nfs/dbraw/zinc/57/30/91/432573091.db2.gz VUXIPPRJKJOZNX-UHFFFAOYSA-N 0 3 311.429 3.216 20 30 DGEDHN COc1ccc([C@@H](CCO)NCc2ccc(C#N)cc2C)cc1 ZINC000186318777 432580826 /nfs/dbraw/zinc/58/08/26/432580826.db2.gz SMPUKVNKUUMYIZ-LJQANCHMSA-N 0 3 310.397 3.089 20 30 DGEDHN C=C(CNCc1ccccc1N1CCOCC1)c1ccccc1 ZINC000263857158 432586153 /nfs/dbraw/zinc/58/61/53/432586153.db2.gz SMSQQEKFUKJLEB-UHFFFAOYSA-N 0 3 308.425 3.326 20 30 DGEDHN CCN(CC1CC1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000157924454 432632170 /nfs/dbraw/zinc/63/21/70/432632170.db2.gz TWGPBXMEMFMZSR-CSLYMUCUSA-N 0 3 305.466 3.038 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000264388492 432641241 /nfs/dbraw/zinc/64/12/41/432641241.db2.gz VZJOAMIGWKMLBL-SFHVURJKSA-N 0 3 313.445 3.184 20 30 DGEDHN CC(C)[C@@H](C(=O)Nc1cccc(OCC#N)c1)N1CCCCC1 ZINC000264138140 432618205 /nfs/dbraw/zinc/61/82/05/432618205.db2.gz FUPZYLSGICVABF-KRWDZBQOSA-N 0 3 315.417 3.038 20 30 DGEDHN C=CCC[C@@H](CC)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158624933 432652997 /nfs/dbraw/zinc/65/29/97/432652997.db2.gz HACHVKTUUOFCBL-HZPDHXFCSA-N 0 3 309.475 3.492 20 30 DGEDHN C[C@H](NC(=O)c1cccc(CC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000187255786 432654792 /nfs/dbraw/zinc/65/47/92/432654792.db2.gz XBKBEDOIWPVMST-KXBFYZLASA-N 0 3 321.424 3.174 20 30 DGEDHN Oc1cccc(/C=N/C[C@@H]2CCCN2Cc2ccccc2)c1O ZINC000265143351 432669945 /nfs/dbraw/zinc/66/99/45/432669945.db2.gz OHNBCCXFRFYEDQ-RONKMWSCSA-N 0 3 310.397 3.181 20 30 DGEDHN C#CCSCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228556658 432719223 /nfs/dbraw/zinc/71/92/23/432719223.db2.gz VIFZDDCBZAUDGU-UHFFFAOYSA-N 0 3 301.371 3.230 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1nccnc1C)C(C)C ZINC000187756874 432682936 /nfs/dbraw/zinc/68/29/36/432682936.db2.gz RSNJKFFSUDKLEY-IAGOWNOFSA-N 0 3 302.466 3.134 20 30 DGEDHN N#CCOc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000265277841 432683753 /nfs/dbraw/zinc/68/37/53/432683753.db2.gz YPYDUHJUFFAMAZ-FQEVSTJZSA-N 0 3 322.408 3.071 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CC=CC3)C2)c(C(F)(F)F)c1 ZINC000266231424 432755851 /nfs/dbraw/zinc/75/58/51/432755851.db2.gz JSLLOLFCEPQBLX-ZDUSSCGKSA-N 0 3 307.319 3.028 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000276083208 432772616 /nfs/dbraw/zinc/77/26/16/432772616.db2.gz LLHUQIUCPODYLI-HNNXBMFYSA-N 0 3 309.479 3.349 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000276083211 432773155 /nfs/dbraw/zinc/77/31/55/432773155.db2.gz LLHUQIUCPODYLI-OAHLLOKOSA-N 0 3 309.479 3.349 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)CC)c2)CC1 ZINC000178403470 432732639 /nfs/dbraw/zinc/73/26/39/432732639.db2.gz GVXGACUENVWGAS-UHFFFAOYSA-N 0 3 315.417 3.051 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1ccccc1CCN(C)C)OCC ZINC000275709768 432743065 /nfs/dbraw/zinc/74/30/65/432743065.db2.gz UKSNMQARLOHNOB-KRWDZBQOSA-N 0 3 304.434 3.101 20 30 DGEDHN CN(CCCOc1ccc(C#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000178491849 432744478 /nfs/dbraw/zinc/74/44/78/432744478.db2.gz NQBGRGRGYXRFFT-GOSISDBHSA-N 0 3 324.428 3.070 20 30 DGEDHN N#CCOc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000276694842 432824703 /nfs/dbraw/zinc/82/47/03/432824703.db2.gz AROUTYCFPOLVPJ-GOSISDBHSA-N 0 3 308.381 3.462 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)[C@H](C)C2)c1C ZINC000267668629 432835972 /nfs/dbraw/zinc/83/59/72/432835972.db2.gz ODJTUFWBINESSR-HZPDHXFCSA-N 0 3 313.445 3.138 20 30 DGEDHN C[C@@H](NCCOCC(F)(F)C(F)F)c1cccc(C#N)c1 ZINC000276275458 432791098 /nfs/dbraw/zinc/79/10/98/432791098.db2.gz STCVVXNZQIUTTR-SNVBAGLBSA-N 0 3 304.287 3.126 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](NCc1ccc(C#N)cc1F)CC2 ZINC000179023547 432796829 /nfs/dbraw/zinc/79/68/29/432796829.db2.gz IEVKOPKMHAPMJX-KRWDZBQOSA-N 0 3 310.372 3.353 20 30 DGEDHN CCc1ccc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000161794763 432798977 /nfs/dbraw/zinc/79/89/77/432798977.db2.gz ZOSVAVPCWGFCSO-CQSZACIVSA-N 0 3 324.428 3.428 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2scc(C)c2Cl)CC1 ZINC000277329507 432838867 /nfs/dbraw/zinc/83/88/67/432838867.db2.gz VKQFXZQAWILHKK-UHFFFAOYSA-N 0 3 312.866 3.480 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000245929392 432870552 /nfs/dbraw/zinc/87/05/52/432870552.db2.gz ZPIZUHCPVBKZHT-CDMJZVDBSA-N 0 3 303.406 3.121 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287974357 432881734 /nfs/dbraw/zinc/88/17/34/432881734.db2.gz JVDZZYGJNUXRRL-NVXWUHKLSA-N 0 3 301.434 3.061 20 30 DGEDHN CC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000278356324 432891885 /nfs/dbraw/zinc/89/18/85/432891885.db2.gz BCDBMVQWBMZRRT-DLBZAZTESA-N 0 3 300.402 3.285 20 30 DGEDHN CC(C)Oc1ccc([C@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000288427805 432892965 /nfs/dbraw/zinc/89/29/65/432892965.db2.gz HRZSTVZYYUYBKZ-SFHVURJKSA-N 0 3 324.428 3.455 20 30 DGEDHN N#Cc1ccnc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000277524169 432858207 /nfs/dbraw/zinc/85/82/07/432858207.db2.gz CXWLKSRFWRKABD-UHFFFAOYSA-N 0 3 320.396 3.191 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279033535 432928057 /nfs/dbraw/zinc/92/80/57/432928057.db2.gz NSWBUHWLERBFKP-CHWSQXEVSA-N 0 3 324.877 3.272 20 30 DGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000289206830 432933561 /nfs/dbraw/zinc/93/35/61/432933561.db2.gz IFQICCIPPORZOA-AWEZNQCLSA-N 0 3 304.393 3.403 20 30 DGEDHN C#Cc1ccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000289235952 432936900 /nfs/dbraw/zinc/93/69/00/432936900.db2.gz KRELMWBLQRNLQQ-CQSZACIVSA-N 0 3 304.393 3.038 20 30 DGEDHN C#Cc1ccc(CNCc2ccccc2CN2CCCC2=O)cc1 ZINC000289269433 432939184 /nfs/dbraw/zinc/93/91/84/432939184.db2.gz NJUOTILPOWGZKM-UHFFFAOYSA-N 0 3 318.420 3.080 20 30 DGEDHN C#Cc1ccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000289270616 432941047 /nfs/dbraw/zinc/94/10/47/432941047.db2.gz NMMDNPFNEMJPLO-OAHLLOKOSA-N 0 3 320.392 3.475 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000278609626 432898248 /nfs/dbraw/zinc/89/82/48/432898248.db2.gz MMGBXLNAAKONAV-SUMWQHHRSA-N 0 3 315.392 3.168 20 30 DGEDHN CCc1ccccc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330249307 432899726 /nfs/dbraw/zinc/89/97/26/432899726.db2.gz ZTLJVQIUKRUCTQ-ZLIFDBKOSA-N 0 3 302.418 3.383 20 30 DGEDHN CN(C)[C@@H](CNc1nc(Cl)c(C#N)s1)c1cccs1 ZINC000278788600 432900127 /nfs/dbraw/zinc/90/01/27/432900127.db2.gz WUJPPUZKRNULIW-QMMMGPOBSA-N 0 3 312.851 3.444 20 30 DGEDHN Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000279246203 432949924 /nfs/dbraw/zinc/94/99/24/432949924.db2.gz GQEXZUBGBDYYMJ-INIZCTEOSA-N 0 3 323.421 3.269 20 30 DGEDHN N#Cc1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278902568 432914792 /nfs/dbraw/zinc/91/47/92/432914792.db2.gz PNARVIONVYTZJR-UHFFFAOYSA-N 0 3 320.440 3.471 20 30 DGEDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000330561093 432917668 /nfs/dbraw/zinc/91/76/68/432917668.db2.gz IVYOIHJOGUOFKG-OCCSQVGLSA-N 0 3 319.405 3.328 20 30 DGEDHN COc1ccc2c(c1)C1(CC1)CN(CCCSCC#N)C2 ZINC000289600211 432968488 /nfs/dbraw/zinc/96/84/88/432968488.db2.gz QHJVIJAEWJKSFY-UHFFFAOYSA-N 0 3 302.443 3.189 20 30 DGEDHN C#C[C@@H](C)NCc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000289563944 432968888 /nfs/dbraw/zinc/96/88/88/432968888.db2.gz RZAKHFSRACTVLG-LLVKDONJSA-N 0 3 301.308 3.138 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000289672950 432971165 /nfs/dbraw/zinc/97/11/65/432971165.db2.gz HHGGFRLCOHGXKJ-MWLCHTKSSA-N 0 3 303.374 3.207 20 30 DGEDHN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(OCC#N)cc1 ZINC000280077239 433002509 /nfs/dbraw/zinc/00/25/09/433002509.db2.gz LMDNMPCLXMGIRS-CXAGYDPISA-N 0 3 310.401 3.051 20 30 DGEDHN CCC1(CC)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279905330 432997505 /nfs/dbraw/zinc/99/75/05/432997505.db2.gz DSCBYKHKZKRNSW-QGZVFWFLSA-N 0 3 309.413 3.279 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000297591173 432999398 /nfs/dbraw/zinc/99/93/98/432999398.db2.gz FKFXSHRBXNGWRA-WBVHZDCISA-N 0 3 300.446 3.225 20 30 DGEDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279266669 432951613 /nfs/dbraw/zinc/95/16/13/432951613.db2.gz MVVNNTJTXCCCGS-BXUZGUMPSA-N 0 3 305.809 3.318 20 30 DGEDHN C#Cc1ccc(CN2CCC(NC(=O)CCCCC)CC2)cc1 ZINC000289391887 432953714 /nfs/dbraw/zinc/95/37/14/432953714.db2.gz QZBSCNUXNWSCKI-UHFFFAOYSA-N 0 3 312.457 3.329 20 30 DGEDHN COc1cccc(OC)c1OCCCCN1CCC(C#N)CC1 ZINC000290197807 433009884 /nfs/dbraw/zinc/00/98/84/433009884.db2.gz GIRJFXCIUYXYDT-UHFFFAOYSA-N 0 3 318.417 3.098 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000280220889 433018414 /nfs/dbraw/zinc/01/84/14/433018414.db2.gz IXSYWYDQLDKEOR-STQMWFEESA-N 0 3 315.866 3.022 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]4CCC[C@H]43)o2)c1 ZINC000333054947 433030152 /nfs/dbraw/zinc/03/01/52/433030152.db2.gz HNSWHADQKDSDJI-GOEBONIOSA-N 0 3 308.385 3.373 20 30 DGEDHN CN(C[C@H](O)c1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000298096490 433048515 /nfs/dbraw/zinc/04/85/15/433048515.db2.gz INVBUEAVBUWQPX-GLQYFDAESA-N 0 3 323.234 3.107 20 30 DGEDHN COc1ccc(CCNCc2ccc(C#N)cc2F)cc1OC ZINC000298104914 433049528 /nfs/dbraw/zinc/04/95/28/433049528.db2.gz WTJZWEXXYMAVJV-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN COc1ccc([C@@H](O)C2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000298074316 433046868 /nfs/dbraw/zinc/04/68/68/433046868.db2.gz HFMVFFBVKRFJEC-RDTXWAMCSA-N 0 3 302.418 3.133 20 30 DGEDHN CN(C[C@H](O)c1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000298096489 433047836 /nfs/dbraw/zinc/04/78/36/433047836.db2.gz INVBUEAVBUWQPX-DFBGVHRSSA-N 0 3 323.234 3.107 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000280477241 433057496 /nfs/dbraw/zinc/05/74/96/433057496.db2.gz PJXIMMWLJOAZFO-QYZOEREBSA-N 0 3 321.424 3.326 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCC2(CCCCC2)CC1 ZINC000346675885 289250605 /nfs/dbraw/zinc/25/06/05/289250605.db2.gz JWABECVNAOQDRU-MRXNPFEDSA-N 0 3 305.466 3.183 20 30 DGEDHN N#Cc1cccc(CCNCc2cnc(C(F)(F)F)s2)c1 ZINC000341447690 433063239 /nfs/dbraw/zinc/06/32/39/433063239.db2.gz BDAHBVMCSGJGDK-UHFFFAOYSA-N 0 3 311.332 3.366 20 30 DGEDHN C#C[C@H](NCC1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000491809669 433070213 /nfs/dbraw/zinc/07/02/13/433070213.db2.gz ZEYSOKXOKMKUQG-KRWDZBQOSA-N 0 3 303.377 3.023 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000280587430 433096232 /nfs/dbraw/zinc/09/62/32/433096232.db2.gz IDSKCPOCGWHRPH-MLGOLLRUSA-N 0 3 305.809 3.059 20 30 DGEDHN C[C@@H]1CCCN(CCNc2nc3cc(Cl)ccn3c2C#N)C1 ZINC000341541298 433122662 /nfs/dbraw/zinc/12/26/62/433122662.db2.gz YKGIDAZBOINZRN-GFCCVEGCSA-N 0 3 317.824 3.003 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)n(C)nc1C(C)C ZINC000280662979 433129225 /nfs/dbraw/zinc/12/92/25/433129225.db2.gz PGLVAAPRTXEVBY-IUODEOHRSA-N 0 3 311.857 3.268 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)n(C)nc1C(C)C ZINC000280662983 433130321 /nfs/dbraw/zinc/13/03/21/433130321.db2.gz PGLVAAPRTXEVBY-SWLSCSKDSA-N 0 3 311.857 3.268 20 30 DGEDHN C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000341563246 433138554 /nfs/dbraw/zinc/13/85/54/433138554.db2.gz JPKWCXGTRWXVAM-CHWSQXEVSA-N 0 3 302.378 3.141 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000373253304 433144049 /nfs/dbraw/zinc/14/40/49/433144049.db2.gz TYEFLKHSAYJAMV-CRAIPNDOSA-N 0 3 314.429 3.226 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453336142 433100933 /nfs/dbraw/zinc/10/09/33/433100933.db2.gz ATPQSYUOXHWFES-NEPJUHHUSA-N 0 3 313.825 3.335 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453344079 433108861 /nfs/dbraw/zinc/10/88/61/433108861.db2.gz GVHHOPZICJXXAQ-CABCVRRESA-N 0 3 317.351 3.310 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@]3(CCCc4ccccc43)C2)C1=O ZINC000337184464 433208884 /nfs/dbraw/zinc/20/88/84/433208884.db2.gz NVJGHJKWHJFUJF-TZIWHRDSSA-N 0 3 324.468 3.143 20 30 DGEDHN CC(C)c1nc(C2CCN(CCCSCC#N)CC2)no1 ZINC000374097751 433174925 /nfs/dbraw/zinc/17/49/25/433174925.db2.gz UPNBLVHMGKJFAV-UHFFFAOYSA-N 0 3 308.451 3.019 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](CC)C1)C(C)C ZINC000447290051 433176821 /nfs/dbraw/zinc/17/68/21/433176821.db2.gz IRUSNBABCSTHLD-SJORKVTESA-N 0 3 307.482 3.127 20 30 DGEDHN CN(Cc1cc(F)ccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336709233 433180217 /nfs/dbraw/zinc/18/02/17/433180217.db2.gz MLZSUMCOJRKHQI-HXUWFJFHSA-N 0 3 323.415 3.404 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453455536 433195944 /nfs/dbraw/zinc/19/59/44/433195944.db2.gz SNBPVKVGDIQMLN-HNNXBMFYSA-N 0 3 317.481 3.042 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)nnn2C ZINC000425365840 433202732 /nfs/dbraw/zinc/20/27/32/433202732.db2.gz NGUOBPVIJPMSLK-ZDUSSCGKSA-N 0 3 305.385 3.033 20 30 DGEDHN CCN(CC(=O)Nc1ccccc1SCC#N)CC1CCC1 ZINC000361482408 433204027 /nfs/dbraw/zinc/20/40/27/433204027.db2.gz XQMIYOBNRHUJPU-UHFFFAOYSA-N 0 3 317.458 3.363 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000290911614 433204849 /nfs/dbraw/zinc/20/48/49/433204849.db2.gz NBPIQMXKWUOTFJ-GOSISDBHSA-N 0 3 309.413 3.041 20 30 DGEDHN CC(C#N)C(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000412469951 433222314 /nfs/dbraw/zinc/22/23/14/433222314.db2.gz XWXDVXQCMWDMSL-MRXNPFEDSA-N 0 3 304.393 3.169 20 30 DGEDHN C[C@@H](NCCN1CCCC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000447561629 433224943 /nfs/dbraw/zinc/22/49/43/433224943.db2.gz BVVDDHAXCIGDAK-CQSZACIVSA-N 0 3 303.425 3.470 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2nccc(C#N)c2Cl)C1 ZINC000341729033 433238414 /nfs/dbraw/zinc/23/84/14/433238414.db2.gz LUGTVQPLZRAGOR-UMVBOHGHSA-N 0 3 318.852 3.448 20 30 DGEDHN COc1cc(OC)cc(OCCCN(C)[C@@H](C)CCC#N)c1 ZINC000298800496 433247459 /nfs/dbraw/zinc/24/74/59/433247459.db2.gz YYNDXXAGNCXJLS-AWEZNQCLSA-N 0 3 306.406 3.097 20 30 DGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)N(C)C ZINC000298826222 433257704 /nfs/dbraw/zinc/25/77/04/433257704.db2.gz HCYIYANMUAFKPK-NEPJUHHUSA-N 0 3 314.216 3.014 20 30 DGEDHN N#Cc1cnc(NC[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000413144963 433262486 /nfs/dbraw/zinc/26/24/86/433262486.db2.gz QUFHWOWKQZEQTK-MRXNPFEDSA-N 0 3 310.376 3.169 20 30 DGEDHN C=CCc1cc(CN2CCCO[C@H](CC)C2)cc(OC)c1O ZINC000281126192 433263026 /nfs/dbraw/zinc/26/30/26/433263026.db2.gz CNWNIUHQUXZEOY-MRXNPFEDSA-N 0 3 305.418 3.130 20 30 DGEDHN COCC[C@H](NCCCC1(C#N)CCOCC1)c1ccco1 ZINC000281345697 433288355 /nfs/dbraw/zinc/28/83/55/433288355.db2.gz MTEJZZMCLLLEJI-HNNXBMFYSA-N 0 3 306.406 3.047 20 30 DGEDHN C[C@H]1COc2ccccc2CN1CCCC1(C#N)CCOCC1 ZINC000281349924 433290574 /nfs/dbraw/zinc/29/05/74/433290574.db2.gz NANQOEOBCYLLAX-INIZCTEOSA-N 0 3 314.429 3.370 20 30 DGEDHN CCc1nc([C@H](C)NCCCC2(C#N)CCOCC2)cs1 ZINC000281352521 433291046 /nfs/dbraw/zinc/29/10/46/433291046.db2.gz NGLOZNYQILHEHR-ZDUSSCGKSA-N 0 3 307.463 3.457 20 30 DGEDHN CC(C)[C@@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447851606 433303391 /nfs/dbraw/zinc/30/33/91/433303391.db2.gz TWZQVYHNLREAGX-ROUUACIJSA-N 0 3 311.429 3.174 20 30 DGEDHN C[C@@H]1CC[C@@H](N(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000447877616 433309055 /nfs/dbraw/zinc/30/90/55/433309055.db2.gz IGKKJYQBLNZLMH-ZTFGCOKTSA-N 0 3 311.429 3.174 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C(F)F)CC1 ZINC000425691937 433345775 /nfs/dbraw/zinc/34/57/75/433345775.db2.gz KUDUKKTZZXQUFG-UHFFFAOYSA-N 0 3 309.360 3.396 20 30 DGEDHN COc1cc(CNCCn2c(C)nc3ccccc32)ccc1C#N ZINC000281747767 433365780 /nfs/dbraw/zinc/36/57/80/433365780.db2.gz QTXWHZDWRAJTKN-UHFFFAOYSA-N 0 3 320.396 3.015 20 30 DGEDHN CCN(CCN[C@@H](C)c1cccc(C#N)c1)CCC(F)(F)F ZINC000426034544 433409232 /nfs/dbraw/zinc/40/92/32/433409232.db2.gz IEKHMVPXROXYFS-ZDUSSCGKSA-N 0 3 313.367 3.483 20 30 DGEDHN CC[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000301235891 433463716 /nfs/dbraw/zinc/46/37/16/433463716.db2.gz DCGBLQAPMQVXRZ-CQSZACIVSA-N 0 3 302.378 3.143 20 30 DGEDHN C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000301263132 433477299 /nfs/dbraw/zinc/47/72/99/433477299.db2.gz PCJWAFBMPBWKDJ-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000421321658 433478982 /nfs/dbraw/zinc/47/89/82/433478982.db2.gz CFDVUKCTGFVXGK-SFHVURJKSA-N 0 3 315.367 3.229 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000421339941 433484933 /nfs/dbraw/zinc/48/49/33/433484933.db2.gz HKJJREVNABLOGK-INIZCTEOSA-N 0 3 312.392 3.122 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000454613291 433514630 /nfs/dbraw/zinc/51/46/30/433514630.db2.gz XXLAGBMGDQBHNF-AEFFLSMTSA-N 0 3 315.461 3.305 20 30 DGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCCC#N ZINC000292241783 433519987 /nfs/dbraw/zinc/51/99/87/433519987.db2.gz UZCVVLYKHGMPBH-GOSISDBHSA-N 0 3 313.445 3.051 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCCN1CCCCC1 ZINC000301363291 433523301 /nfs/dbraw/zinc/52/33/01/433523301.db2.gz MSJOIZIGSUWVGO-UHFFFAOYSA-N 0 3 312.392 3.452 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1ccc(OCC(=O)OCC)cc1 ZINC000426580446 433535205 /nfs/dbraw/zinc/53/52/05/433535205.db2.gz QYDBFJFNUNDNHV-MRXNPFEDSA-N 0 3 303.402 3.169 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@H](CCO)CC2)cc(OC)c1O ZINC000421391278 433537715 /nfs/dbraw/zinc/53/77/15/433537715.db2.gz AFRABQUMNCYCHU-OAHLLOKOSA-N 0 3 319.445 3.114 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000454585002 433497780 /nfs/dbraw/zinc/49/77/80/433497780.db2.gz FKUUMGMAOFBKMF-WMZOPIPTSA-N 0 3 315.461 3.305 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCCN1C ZINC000455734360 433554721 /nfs/dbraw/zinc/55/47/21/433554721.db2.gz PHRIIYIYSKASBL-FZMZJTMJSA-N 0 3 320.824 3.010 20 30 DGEDHN CC(C)(C#N)CCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292343396 433558747 /nfs/dbraw/zinc/55/87/47/433558747.db2.gz XBIAYAXKFLFSHI-UHFFFAOYSA-N 0 3 317.408 3.219 20 30 DGEDHN CCN(Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)cc1)C1CC1 ZINC000362172669 433563986 /nfs/dbraw/zinc/56/39/86/433563986.db2.gz FVWWPGSAGFADBB-IBGZPJMESA-N 0 3 311.429 3.093 20 30 DGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000362191779 433576867 /nfs/dbraw/zinc/57/68/67/433576867.db2.gz RXCPUEBYHZKDSV-IAGOWNOFSA-N 0 3 309.413 3.278 20 30 DGEDHN C=C(C)COCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000414375246 433581480 /nfs/dbraw/zinc/58/14/80/433581480.db2.gz FBEJGBHYPSQOKT-UHFFFAOYSA-N 0 3 303.381 3.002 20 30 DGEDHN CCN(C(=O)CC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375732190 433546118 /nfs/dbraw/zinc/54/61/18/433546118.db2.gz OLXLJKVDRFVDQR-KRWDZBQOSA-N 0 3 313.445 3.049 20 30 DGEDHN N#CCc1ccc(NC(=O)NCCN2CCCCC2)c(Cl)c1 ZINC000455697226 433546602 /nfs/dbraw/zinc/54/66/02/433546602.db2.gz DKSYNTMMDFDYCO-UHFFFAOYSA-N 0 3 320.824 3.013 20 30 DGEDHN C=C(CNC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000355461894 433547810 /nfs/dbraw/zinc/54/78/10/433547810.db2.gz PCEQAYKFMBZSPW-SFHVURJKSA-N 0 3 313.445 3.016 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)cn1 ZINC000301607658 433633679 /nfs/dbraw/zinc/63/36/79/433633679.db2.gz ZIPFCIDGQBWARG-CRAIPNDOSA-N 0 3 306.413 3.276 20 30 DGEDHN CN(CCNc1snc(Cl)c1C#N)Cc1ccc(F)cc1 ZINC000301529778 433595517 /nfs/dbraw/zinc/59/55/17/433595517.db2.gz KQVCKRBAQLCGRP-UHFFFAOYSA-N 0 3 324.812 3.351 20 30 DGEDHN C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCC1(F)F ZINC000426785820 433596272 /nfs/dbraw/zinc/59/62/72/433596272.db2.gz RGACTFXWADMPJE-ZFWWWQNUSA-N 0 3 306.356 3.263 20 30 DGEDHN COC[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000342301909 433600780 /nfs/dbraw/zinc/60/07/80/433600780.db2.gz NJGDXZRDTAIBJI-SFHVURJKSA-N 0 3 314.360 3.053 20 30 DGEDHN C=CCC(C)(C)CNCc1c(Br)c(C)nn1C ZINC000292991222 433607453 /nfs/dbraw/zinc/60/74/53/433607453.db2.gz OBEBORJXEHSFAL-UHFFFAOYSA-N 0 3 300.244 3.183 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000293199981 433653541 /nfs/dbraw/zinc/65/35/41/433653541.db2.gz BPPFWDTVSDYAOC-GDBMZVCRSA-N 0 3 322.399 3.225 20 30 DGEDHN CN(C)CCN(Cc1cccc(Cl)c1)c1ccc(C#N)cn1 ZINC000301661516 433660609 /nfs/dbraw/zinc/66/06/09/433660609.db2.gz UPTQMUDJAKRIFY-UHFFFAOYSA-N 0 3 314.820 3.175 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000362369006 433662304 /nfs/dbraw/zinc/66/23/04/433662304.db2.gz DRFPHICIJAAZNN-RDJZCZTQSA-N 0 3 301.434 3.006 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000362369007 433662818 /nfs/dbraw/zinc/66/28/18/433662818.db2.gz DRFPHICIJAAZNN-WBVHZDCISA-N 0 3 301.434 3.006 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000362388978 433680815 /nfs/dbraw/zinc/68/08/15/433680815.db2.gz LDVGLQQYZUZGOM-AWEZNQCLSA-N 0 3 304.459 3.131 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000366907613 293003446 /nfs/dbraw/zinc/00/34/46/293003446.db2.gz BUSNYNZLRQFSGX-RCCFBDPRSA-N 0 3 302.393 3.213 20 30 DGEDHN C=CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000456514199 433701596 /nfs/dbraw/zinc/70/15/96/433701596.db2.gz WGXNWBMRYWLPJL-SFHVURJKSA-N 0 3 321.424 3.493 20 30 DGEDHN Cc1nc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c(Cl)cc1C#N ZINC000488742603 293298152 /nfs/dbraw/zinc/29/81/52/293298152.db2.gz FSIHJYUGUQBCGZ-HWWQOWPSSA-N 0 3 318.852 3.082 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000362434824 433714335 /nfs/dbraw/zinc/71/43/35/433714335.db2.gz PQRBBAFKRFGRJV-ZNMIVQPWSA-N 0 3 306.475 3.239 20 30 DGEDHN C[C@@H](NC(=O)c1ccccc1CN(C)C)c1ccc(C#N)cc1 ZINC000362500346 433730420 /nfs/dbraw/zinc/73/04/20/433730420.db2.gz ACTZHFZEXYTXTF-CQSZACIVSA-N 0 3 307.397 3.111 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccc(Cl)cc2n1C ZINC000449547520 433751350 /nfs/dbraw/zinc/75/13/50/433751350.db2.gz ILUFHGKRRJDHAW-HIFRSBDPSA-N 0 3 305.809 3.050 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC000421909683 433802815 /nfs/dbraw/zinc/80/28/15/433802815.db2.gz AXNXWCXZRNOLQW-DGCLKSJQSA-N 0 3 321.218 3.142 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CCCC1 ZINC000344269634 433859728 /nfs/dbraw/zinc/85/97/28/433859728.db2.gz ZOPGBYCBUKWZOE-INIZCTEOSA-N 0 3 313.445 3.444 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000344527182 433870642 /nfs/dbraw/zinc/87/06/42/433870642.db2.gz KLNZZSNHECGLNE-NOZJJQNGSA-N 0 3 321.218 3.348 20 30 DGEDHN C[C@@H](CNc1c(C#N)cccc1C#N)N(C)Cc1ccccc1 ZINC000302876924 433895652 /nfs/dbraw/zinc/89/56/52/433895652.db2.gz GGXBFVKCDNYKST-HNNXBMFYSA-N 0 3 304.397 3.362 20 30 DGEDHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456934226 433896404 /nfs/dbraw/zinc/89/64/04/433896404.db2.gz KMUSEOJOUBAJCI-RCCFBDPRSA-N 0 3 314.429 3.223 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(C#N)cccc1C#N ZINC000302906934 433902288 /nfs/dbraw/zinc/90/22/88/433902288.db2.gz XIBJHOVFECFOER-HNAYVOBHSA-N 0 3 316.408 3.362 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccccc1)c1cncnc1 ZINC000436307445 433936056 /nfs/dbraw/zinc/93/60/56/433936056.db2.gz KENRBUMPZLIKQJ-QRQLOZEOSA-N 0 3 309.413 3.137 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284391774 433894414 /nfs/dbraw/zinc/89/44/14/433894414.db2.gz PHCFMMSZXHWZJW-GOSISDBHSA-N 0 3 316.445 3.183 20 30 DGEDHN COc1ccc(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)cc1C#N ZINC000340195977 433977872 /nfs/dbraw/zinc/97/78/72/433977872.db2.gz ILBSTQXXQOKHMR-SJLPKXTDSA-N 0 3 302.418 3.202 20 30 DGEDHN Cc1cccc2c1OC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000377745907 433978810 /nfs/dbraw/zinc/97/88/10/433978810.db2.gz OEJZDHYAXGVZAE-CRAIPNDOSA-N 0 3 322.408 3.379 20 30 DGEDHN N#CCSCCCN1CCC(C(=O)c2cccs2)CC1 ZINC000363315051 434020552 /nfs/dbraw/zinc/02/05/52/434020552.db2.gz QJSSJMOZKCWIKO-UHFFFAOYSA-N 0 3 308.472 3.290 20 30 DGEDHN CN(CC1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352417955 434042715 /nfs/dbraw/zinc/04/27/15/434042715.db2.gz WOFZTXBWTLXGJR-GOSISDBHSA-N 0 3 311.429 3.176 20 30 DGEDHN CN(C)[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 ZINC000416226355 434061583 /nfs/dbraw/zinc/06/15/83/434061583.db2.gz UXJNFGFGQBNHRR-DLBZAZTESA-N 0 3 313.445 3.220 20 30 DGEDHN CC(C)(C)CCN1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450267740 434064592 /nfs/dbraw/zinc/06/45/92/434064592.db2.gz DDYHWFGZVQBCKU-UHFFFAOYSA-N 0 3 316.405 3.025 20 30 DGEDHN CN(C)[C@@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000416231431 434065307 /nfs/dbraw/zinc/06/53/07/434065307.db2.gz BLXLSFJZXALBNB-INIZCTEOSA-N 0 3 301.434 3.126 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN(CCO)C2CC2)c1 ZINC000305737464 434079962 /nfs/dbraw/zinc/07/99/62/434079962.db2.gz VDKIIMJSCWQRHJ-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN CN(C)C1(CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000416289453 434087364 /nfs/dbraw/zinc/08/73/64/434087364.db2.gz JMQRAYSQZMXJKE-UHFFFAOYSA-N 0 3 319.408 3.049 20 30 DGEDHN CC(C)(CN1CCCC1)Nc1ncc(Br)cc1C#N ZINC000308667084 434092289 /nfs/dbraw/zinc/09/22/89/434092289.db2.gz JRRAHUFQDOKABB-UHFFFAOYSA-N 0 3 323.238 3.002 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000294721002 434129588 /nfs/dbraw/zinc/12/95/88/434129588.db2.gz MNMIGTODJPZEQW-UHFFFAOYSA-N 0 3 306.475 3.289 20 30 DGEDHN Cn1cc([C@H](NC(=O)C2CCN(C3CC3)CC2)C(C)(C)C)cn1 ZINC000328767736 294292533 /nfs/dbraw/zinc/29/25/33/294292533.db2.gz PYHHGNXOCBUGLK-INIZCTEOSA-N 0 3 318.465 3.338 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000294800172 434146561 /nfs/dbraw/zinc/14/65/61/434146561.db2.gz BUMJWDJMFBHTMA-IBGZPJMESA-N 0 3 311.429 3.469 20 30 DGEDHN CC1CCC(N2CCN(Cc3cc(C#N)cs3)CC2)CC1 ZINC000353469369 434156062 /nfs/dbraw/zinc/15/60/62/434156062.db2.gz IWMTXGVOFMZXNC-UHFFFAOYSA-N 0 3 303.475 3.316 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(O)c(C)c1)C(C)C ZINC000436935157 434173731 /nfs/dbraw/zinc/17/37/31/434173731.db2.gz JFOOYWWVBZYYIL-QGZVFWFLSA-N 0 3 316.445 3.129 20 30 DGEDHN N#Cc1ccnc(NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000286138050 434177176 /nfs/dbraw/zinc/17/71/76/434177176.db2.gz HBNURNULGCLZJL-HNNXBMFYSA-N 0 3 312.442 3.339 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000347491700 434268451 /nfs/dbraw/zinc/26/84/51/434268451.db2.gz FZSXHMJYXDOPSC-TVQRCGJNSA-N 0 3 321.218 3.348 20 30 DGEDHN Cc1nc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1C#N ZINC000324126707 434273109 /nfs/dbraw/zinc/27/31/09/434273109.db2.gz JJMOAWOCXWSXCV-MRXNPFEDSA-N 0 3 320.440 3.220 20 30 DGEDHN CC1(C)CCCN(CCNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450486598 434221655 /nfs/dbraw/zinc/22/16/55/434221655.db2.gz QCSCOWNGSKNZFC-UHFFFAOYSA-N 0 3 302.378 3.000 20 30 DGEDHN C=CCOCCCC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357884064 434228631 /nfs/dbraw/zinc/22/86/31/434228631.db2.gz YTSBWBYYBROCHZ-VQIMIIECSA-N 0 3 318.461 3.085 20 30 DGEDHN N#Cc1cccc(OCCN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000437541547 434282316 /nfs/dbraw/zinc/28/23/16/434282316.db2.gz XFNLDQRACSKGOD-SJORKVTESA-N 0 3 302.443 3.297 20 30 DGEDHN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2CCCC#N ZINC000364873053 434285132 /nfs/dbraw/zinc/28/51/32/434285132.db2.gz UDIINLDSBPMSIV-GOOCMWNKSA-N 0 3 307.438 3.200 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCOC1 ZINC000348261194 434287905 /nfs/dbraw/zinc/28/79/05/434287905.db2.gz LNCSGSDXTLLZGB-RISCZKNCSA-N 0 3 323.234 3.225 20 30 DGEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)c(OC)c1 ZINC000353641177 434294612 /nfs/dbraw/zinc/29/46/12/434294612.db2.gz IJQHZVMCDBUJRT-KRWDZBQOSA-N 0 3 308.381 3.353 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000437584074 434296931 /nfs/dbraw/zinc/29/69/31/434296931.db2.gz QRWGRBSRFVYBAE-FUHWJXTLSA-N 0 3 302.418 3.202 20 30 DGEDHN CN1CCC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000328745272 434305759 /nfs/dbraw/zinc/30/57/59/434305759.db2.gz ABCMJUNWUUFBGK-ARFHVFGLSA-N 0 3 308.466 3.006 20 30 DGEDHN CN(C[C@H]1CC=CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348404053 434308325 /nfs/dbraw/zinc/30/83/25/434308325.db2.gz RVZLILWGFSBCGH-ROUUACIJSA-N 0 3 307.397 3.055 20 30 DGEDHN CCN1CCC[C@H]1CNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000328767791 434310365 /nfs/dbraw/zinc/31/03/65/434310365.db2.gz QAIYWLPCMFSKJW-HNNXBMFYSA-N 0 3 318.465 3.257 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 ZINC000328787916 434313352 /nfs/dbraw/zinc/31/33/52/434313352.db2.gz XKAWYPBIKCEIDH-DZGCQCFKSA-N 0 3 323.400 3.003 20 30 DGEDHN Cc1cccc(NC(=O)[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000328845627 434317691 /nfs/dbraw/zinc/31/76/91/434317691.db2.gz QFYMRQZHDQMMKG-BZUAXINKSA-N 0 3 312.417 3.382 20 30 DGEDHN O=C(CN1CCC[C@H]1C1CCC1)NC(=O)NC1CCCCC1 ZINC000328909884 434327578 /nfs/dbraw/zinc/32/75/78/434327578.db2.gz FAVDOEUIYLTRLJ-HNNXBMFYSA-N 0 3 307.438 3.454 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000329178943 434371520 /nfs/dbraw/zinc/37/15/20/434371520.db2.gz CVTDNISFTUXVAQ-STQMWFEESA-N 0 3 323.462 3.174 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000295480416 434381949 /nfs/dbraw/zinc/38/19/49/434381949.db2.gz RJJHMSHZBGQKJK-CABCVRRESA-N 0 3 313.445 3.223 20 30 DGEDHN C=CCC[C@@H](NC1CCN(c2cccnn2)CC1)c1ccco1 ZINC000287369218 434343925 /nfs/dbraw/zinc/34/39/25/434343925.db2.gz HREFMFUKDPFJMQ-MRXNPFEDSA-N 0 3 312.417 3.336 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295406821 434347972 /nfs/dbraw/zinc/34/79/72/434347972.db2.gz BTCDODICANTNTN-GDBMZVCRSA-N 0 3 313.445 3.233 20 30 DGEDHN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)[C@@H]1CCC[C@H]1O ZINC000329057019 434348763 /nfs/dbraw/zinc/34/87/63/434348763.db2.gz IKUPEHIFLMITFI-HUXNUIQUSA-N 0 3 320.477 3.145 20 30 DGEDHN N#Cc1cccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1F ZINC000340871482 434406769 /nfs/dbraw/zinc/40/67/69/434406769.db2.gz AGKWVHCUPBPWNJ-CRAIPNDOSA-N 0 3 313.420 3.146 20 30 DGEDHN Cc1cccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000358848884 434407785 /nfs/dbraw/zinc/40/77/85/434407785.db2.gz IGNASHZMRKZFJO-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(F)c2C)CC1 ZINC000417541432 434429507 /nfs/dbraw/zinc/42/95/07/434429507.db2.gz RIHCPIRNOXMHMK-UHFFFAOYSA-N 0 3 323.387 3.435 20 30 DGEDHN C[C@@H]1C[C@H](Nc2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000287815779 434461057 /nfs/dbraw/zinc/46/10/57/434461057.db2.gz KKVCVUNOJHIWQF-CRAIPNDOSA-N 0 3 306.413 3.418 20 30 DGEDHN COc1ccc2c(c1)C[C@H](N[C@H](C)c1ccc(C#N)cc1)CO2 ZINC000295982192 434461504 /nfs/dbraw/zinc/46/15/04/434461504.db2.gz NGYRDWXFBJULII-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(O)CCCC2)C1 ZINC000329867233 434495565 /nfs/dbraw/zinc/49/55/65/434495565.db2.gz VSLKTGQAGAZYPA-NVXWUHKLSA-N 0 3 316.445 3.474 20 30 DGEDHN CC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000341032273 434500972 /nfs/dbraw/zinc/50/09/72/434500972.db2.gz DWDCPNHDNSBZEI-IBGZPJMESA-N 0 3 321.424 3.224 20 30 DGEDHN Cc1nc(N[C@H](C)CN2CCC[C@@H](C)C2)c(Cl)cc1C#N ZINC000359906555 434452308 /nfs/dbraw/zinc/45/23/08/434452308.db2.gz VUWPGRKVNADDTG-VXGBXAGGSA-N 0 3 306.841 3.447 20 30 DGEDHN N#CCCCOc1cccc(CN2CCOCC3(CCC3)C2)c1 ZINC000368099861 434566573 /nfs/dbraw/zinc/56/65/73/434566573.db2.gz SFSGJZYFSYJCGV-UHFFFAOYSA-N 0 3 314.429 3.372 20 30 DGEDHN COc1cccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000289930340 295296245 /nfs/dbraw/zinc/29/62/45/295296245.db2.gz WJXSJHPKBDFRPT-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](c2ccco2)C1 ZINC000369590947 434596304 /nfs/dbraw/zinc/59/63/04/434596304.db2.gz IUFSLWZGPLGVPR-HNNXBMFYSA-N 0 3 312.369 3.028 20 30 DGEDHN CC(C)(C)c1nc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2o1 ZINC000424094804 434619518 /nfs/dbraw/zinc/61/95/18/434619518.db2.gz VNABQWKXXDURLZ-LBPRGKRZSA-N 0 3 314.389 3.085 20 30 DGEDHN CCCOc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424089924 434620035 /nfs/dbraw/zinc/62/00/35/434620035.db2.gz LMUXIKFDTJGIFY-LBPRGKRZSA-N 0 3 309.797 3.088 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000370976422 434629564 /nfs/dbraw/zinc/62/95/64/434629564.db2.gz OYAPYUJLINPPMZ-DZGCQCFKSA-N 0 3 302.418 3.173 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000424144612 434636544 /nfs/dbraw/zinc/63/65/44/434636544.db2.gz SNAIYFATCWGBDS-CVEARBPZSA-N 0 3 319.836 3.319 20 30 DGEDHN CN(c1ccccc1NC(=O)[C@@H](N)CCCC#N)C1CCCC1 ZINC000424155136 434638224 /nfs/dbraw/zinc/63/82/24/434638224.db2.gz NMHAYCHWNSCDJD-HNNXBMFYSA-N 0 3 314.433 3.025 20 30 DGEDHN C=CCN1CC[C@H](N(Cc2ccccc2)CC(C)(C)C)C1=O ZINC000410348679 434641071 /nfs/dbraw/zinc/64/10/71/434641071.db2.gz LVTBEPDWCJLBNL-KRWDZBQOSA-N 0 3 300.446 3.322 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000424167302 434641285 /nfs/dbraw/zinc/64/12/85/434641285.db2.gz DEVQSFARCKLYLQ-INIZCTEOSA-N 0 3 319.836 3.067 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)[C@@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389546 434644521 /nfs/dbraw/zinc/64/45/21/434644521.db2.gz OCLHNXYZBJOCMF-RBUKOAKNSA-N 0 3 314.473 3.425 20 30 DGEDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CCC1 ZINC000418136554 434600514 /nfs/dbraw/zinc/60/05/14/434600514.db2.gz CNTUAIHNNUSOEX-HNNXBMFYSA-N 0 3 302.418 3.308 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2)C1=O ZINC000410416230 434644791 /nfs/dbraw/zinc/64/47/91/434644791.db2.gz GNOOQTPHSQJRLS-UXHICEINSA-N 0 3 320.436 3.347 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418148284 434602893 /nfs/dbraw/zinc/60/28/93/434602893.db2.gz NTJDUWKDLWWBQF-ZWKOTPCHSA-N 0 3 311.429 3.494 20 30 DGEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CCCC#N)CCC2 ZINC000424171064 434645090 /nfs/dbraw/zinc/64/50/90/434645090.db2.gz LDXGZJHLDOMSCU-ZWKOTPCHSA-N 0 3 313.445 3.325 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](N)c1ccccc1CC ZINC000418210142 434611383 /nfs/dbraw/zinc/61/13/83/434611383.db2.gz GQZPLGRFDYAFEP-INIZCTEOSA-N 0 3 303.450 3.150 20 30 DGEDHN N#CCc1cc(Cl)ccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000410968767 434691993 /nfs/dbraw/zinc/69/19/93/434691993.db2.gz OIBFEOPMCROMGH-UHFFFAOYSA-N 0 3 317.820 3.219 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418646920 434694684 /nfs/dbraw/zinc/69/46/84/434694684.db2.gz XNHOVLMRESMAFG-GOSISDBHSA-N 0 3 315.461 3.261 20 30 DGEDHN CC#CCCCC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452734292 434698486 /nfs/dbraw/zinc/69/84/86/434698486.db2.gz VEIYKPQZHVOAHK-UHFFFAOYSA-N 0 3 312.457 3.351 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000360632244 434655604 /nfs/dbraw/zinc/65/56/04/434655604.db2.gz IGXXZSGCZQEEMP-IRXDYDNUSA-N 0 3 319.493 3.287 20 30 DGEDHN Cc1nn2c(CNCC(C)(C)CC#N)c(C(C)C)nc2s1 ZINC000459727672 434680858 /nfs/dbraw/zinc/68/08/58/434680858.db2.gz HNNAUVMYUHDRRQ-UHFFFAOYSA-N 0 3 305.451 3.252 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000424293599 434680970 /nfs/dbraw/zinc/68/09/70/434680970.db2.gz ISZNPUAZMRCJDF-LBPRGKRZSA-N 0 3 324.350 3.204 20 30 DGEDHN CCC[C@@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000410831462 434681707 /nfs/dbraw/zinc/68/17/07/434681707.db2.gz ZITGACFDAOXICE-SFHVURJKSA-N 0 3 313.445 3.437 20 30 DGEDHN CC[C@@H](CN(CC)CC(=O)N(CC)CCC#N)c1ccccc1 ZINC000360740884 434682019 /nfs/dbraw/zinc/68/20/19/434682019.db2.gz XMHYYZDQXNJYFH-KRWDZBQOSA-N 0 3 315.461 3.264 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)Cc1cc(C#N)cs1 ZINC000459735137 434684131 /nfs/dbraw/zinc/68/41/31/434684131.db2.gz GGINKPRXPVANKW-UHFFFAOYSA-N 0 3 305.472 3.245 20 30 DGEDHN CO[C@@H](CC(C)C)CN1CCCN(c2ccccc2C#N)CC1 ZINC000419182783 434749352 /nfs/dbraw/zinc/74/93/52/434749352.db2.gz HVLGMWXERIJDIF-SFHVURJKSA-N 0 3 315.461 3.131 20 30 DGEDHN CCCC(=O)NC[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411231303 434749467 /nfs/dbraw/zinc/74/94/67/434749467.db2.gz WDTWEEMZORUXMX-QGZVFWFLSA-N 0 3 319.493 3.479 20 30 DGEDHN CCCC(=O)NC[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411231299 434749557 /nfs/dbraw/zinc/74/95/57/434749557.db2.gz WDTWEEMZORUXMX-KRWDZBQOSA-N 0 3 319.493 3.479 20 30 DGEDHN CC(C)C(=O)NC[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411229767 434750522 /nfs/dbraw/zinc/75/05/22/434750522.db2.gz UIIBFJNKMGUJBN-KRWDZBQOSA-N 0 3 319.493 3.335 20 30 DGEDHN Cc1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000360863657 434714669 /nfs/dbraw/zinc/71/46/69/434714669.db2.gz FHACOKDEOFEQDR-YJBOKZPZSA-N 0 3 306.413 3.194 20 30 DGEDHN N#Cc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1F ZINC000459792278 434720701 /nfs/dbraw/zinc/72/07/01/434720701.db2.gz IROGXPIKBUDYGZ-FUHWJXTLSA-N 0 3 302.393 3.070 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000440620750 434724939 /nfs/dbraw/zinc/72/49/39/434724939.db2.gz GYNHZJKIBFQSSO-WMLDXEAASA-N 0 3 300.446 3.371 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)CC1(CC(=O)OC)CC1 ZINC000440708863 434734914 /nfs/dbraw/zinc/73/49/14/434734914.db2.gz GUROWDJBCXFJMR-UHFFFAOYSA-N 0 3 300.402 3.114 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)Cc2ccccc2C)CC1 ZINC000424650594 434768801 /nfs/dbraw/zinc/76/88/01/434768801.db2.gz OFGSQDQBFKUVBA-QGZVFWFLSA-N 0 3 314.473 3.330 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419326680 434773880 /nfs/dbraw/zinc/77/38/80/434773880.db2.gz MLFIXSRQJKKJLR-VKJFTORMSA-N 0 3 307.482 3.187 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCCC1(C)C ZINC000445209847 434791026 /nfs/dbraw/zinc/79/10/26/434791026.db2.gz HFZREIAQEFVAFG-PVAVHDDUSA-N 0 3 319.493 3.245 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCCC1(C)C ZINC000445209845 434791107 /nfs/dbraw/zinc/79/11/07/434791107.db2.gz HFZREIAQEFVAFG-OIISXLGYSA-N 0 3 319.493 3.245 20 30 DGEDHN CC(C)(NCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000411530547 434796639 /nfs/dbraw/zinc/79/66/39/434796639.db2.gz JXCLCWPXPIDWRO-UHFFFAOYSA-N 0 3 313.426 3.473 20 30 DGEDHN CS[C@H]1CN(c2c(Cl)cccc2C#N)C[C@H]1N1CCCC1 ZINC000445610391 434817148 /nfs/dbraw/zinc/81/71/48/434817148.db2.gz MOCRBIVOOQLKSK-CABCVRRESA-N 0 3 321.877 3.228 20 30 DGEDHN CC1(C)CCCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000446061282 434845289 /nfs/dbraw/zinc/84/52/89/434845289.db2.gz PLEOCJGHSKTBCE-KRWDZBQOSA-N 0 3 311.429 3.176 20 30 DGEDHN C=CCOCCN[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412008893 434853648 /nfs/dbraw/zinc/85/36/48/434853648.db2.gz MTMJRLCMBBXEAK-GOSISDBHSA-N 0 3 303.446 3.463 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000521231635 434876318 /nfs/dbraw/zinc/87/63/18/434876318.db2.gz YFNKRANKKSMKQX-INIZCTEOSA-N 0 3 300.406 3.001 20 30 DGEDHN C[C@H](C(=O)NCC(C)(C)N1CCCCC1)c1cccc(C#N)c1 ZINC000461734842 434885345 /nfs/dbraw/zinc/88/53/45/434885345.db2.gz TUOMXNBEZGQYDL-HNNXBMFYSA-N 0 3 313.445 3.042 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000521687040 434892722 /nfs/dbraw/zinc/89/27/22/434892722.db2.gz FXWBLCPXQOPXHW-LJQANCHMSA-N 0 3 311.425 3.157 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000573368998 434893546 /nfs/dbraw/zinc/89/35/46/434893546.db2.gz OHZJMMNEBRBRKS-QGZVFWFLSA-N 0 3 316.445 3.097 20 30 DGEDHN N#Cc1ccccc1N1CCN(CC2Cc3ccccc3C2)CC1 ZINC000555093133 434959514 /nfs/dbraw/zinc/95/95/14/434959514.db2.gz QQKVJZQVADDIIH-UHFFFAOYSA-N 0 3 317.436 3.095 20 30 DGEDHN COc1ccc([C@H](NCc2ccc(OC)c(C#N)c2)C2CC2)cn1 ZINC000527840462 435016052 /nfs/dbraw/zinc/01/60/52/435016052.db2.gz GCEPTGCMPRLRAF-LJQANCHMSA-N 0 3 323.396 3.211 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(CC)o2)CC1 ZINC000492586987 435017397 /nfs/dbraw/zinc/01/73/97/435017397.db2.gz GINVJTJKNGPMFQ-FPLPWBNLSA-N 0 3 302.418 3.012 20 30 DGEDHN COc1ccc([C@@H](NCCOc2cccc(C#N)c2)C2CC2)cn1 ZINC000528846644 435029613 /nfs/dbraw/zinc/02/96/13/435029613.db2.gz JDXWAHNGABHBFD-IBGZPJMESA-N 0 3 323.396 3.082 20 30 DGEDHN C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ncc[nH]1 ZINC000556865653 435032671 /nfs/dbraw/zinc/03/26/71/435032671.db2.gz TVYHUXKALGIEMK-IUDNXUCKSA-N 0 3 310.401 3.322 20 30 DGEDHN CCC[C@H]1[C@@H](C)CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000464726883 434995569 /nfs/dbraw/zinc/99/55/69/434995569.db2.gz ALTOVKJHRLFFIB-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN CCC[C@H]1[C@H](C)CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000464726882 434995707 /nfs/dbraw/zinc/99/57/07/434995707.db2.gz ALTOVKJHRLFFIB-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN Cc1cc(OC[C@H](O)CNCCCC#N)c(C(C)C)cc1Cl ZINC000574912537 435004732 /nfs/dbraw/zinc/00/47/32/435004732.db2.gz KUDQETDKLBHXCE-CQSZACIVSA-N 0 3 324.852 3.405 20 30 DGEDHN C=CCNC(=O)CN(CCC)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000525126297 435005109 /nfs/dbraw/zinc/00/51/09/435005109.db2.gz WSFFJWIYJBXVOL-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525122444 435005545 /nfs/dbraw/zinc/00/55/45/435005545.db2.gz FXVSBPZSDXKSDL-MJGOQNOKSA-N 0 3 312.457 3.313 20 30 DGEDHN CN(C)C[C@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000527244297 435011515 /nfs/dbraw/zinc/01/15/15/435011515.db2.gz LJDHMMCTZGLGSA-ZWKOTPCHSA-N 0 3 313.445 3.017 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000527298935 435011613 /nfs/dbraw/zinc/01/16/13/435011613.db2.gz FZAFJXWEAJTPEF-CVEARBPZSA-N 0 3 317.477 3.230 20 30 DGEDHN Cc1ccccc1-n1nccc1CNCCc1cccc(C#N)c1 ZINC000466423045 435076330 /nfs/dbraw/zinc/07/63/30/435076330.db2.gz PTTQHBMDCRESJD-UHFFFAOYSA-N 0 3 316.408 3.385 20 30 DGEDHN CC(C)C[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000466689288 435087687 /nfs/dbraw/zinc/08/76/87/435087687.db2.gz DZIZHNYXZFHWGS-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN COCc1ccc(NC2CCN(c3ccncc3)CC2)cc1C#N ZINC000529645882 435038390 /nfs/dbraw/zinc/03/83/90/435038390.db2.gz VPIPQJQCLMZFOU-UHFFFAOYSA-N 0 3 322.412 3.181 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CNCc1cscc1C ZINC000576031311 435054812 /nfs/dbraw/zinc/05/48/12/435054812.db2.gz MUPIWINNHTWECU-QGZVFWFLSA-N 0 3 317.454 3.315 20 30 DGEDHN C=CCCCCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000576477682 435055501 /nfs/dbraw/zinc/05/55/01/435055501.db2.gz ZDHQAPYKWBXCHZ-BRWVUGGUSA-N 0 3 307.482 3.105 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471115310 435136959 /nfs/dbraw/zinc/13/69/59/435136959.db2.gz YGPGQAGTDKDOST-IAGOWNOFSA-N 0 3 309.413 3.135 20 30 DGEDHN CCOC(=O)N(C)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000496036258 435207439 /nfs/dbraw/zinc/20/74/39/435207439.db2.gz NNTXXRCIEQUYTA-UHFFFAOYSA-N 0 3 321.465 3.403 20 30 DGEDHN C=CCOCCCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000495613117 435202694 /nfs/dbraw/zinc/20/26/94/435202694.db2.gz VBSXADJAPQUOBN-GOSISDBHSA-N 0 3 324.465 3.055 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000560172675 435152021 /nfs/dbraw/zinc/15/20/21/435152021.db2.gz BWCBVJINUOYDOE-UTKZUKDTSA-N 0 3 319.452 3.478 20 30 DGEDHN C[C@@H]1C[C@H](Nc2cccc(Br)c2C#N)CN1C1CC1 ZINC000579657693 435171654 /nfs/dbraw/zinc/17/16/54/435171654.db2.gz FVEICCWMTYKDNS-MNOVXSKESA-N 0 3 320.234 3.358 20 30 DGEDHN C[C@@H](N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000580275631 435216873 /nfs/dbraw/zinc/21/68/73/435216873.db2.gz MRSSXNXKTJMCDB-RHSMWYFYSA-N 0 3 313.445 3.420 20 30 DGEDHN C=CCN(CC=C)[C@H](CNCc1ccc(C#N)cc1F)C(C)C ZINC000533311940 435226996 /nfs/dbraw/zinc/22/69/96/435226996.db2.gz JBQNNBNBIAOFOM-LJQANCHMSA-N 0 3 315.436 3.486 20 30 DGEDHN C=CCN1CCC(N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000583599532 435242721 /nfs/dbraw/zinc/24/27/21/435242721.db2.gz JORCIUPEFBDFJQ-GFCCVEGCSA-N 0 3 324.266 3.145 20 30 DGEDHN Cn1ccnc1N=NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496777980 435251936 /nfs/dbraw/zinc/25/19/36/435251936.db2.gz OIKILAMGHOWCJC-UHFFFAOYSA-N 0 3 315.377 3.213 20 30 DGEDHN C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000496967548 435278705 /nfs/dbraw/zinc/27/87/05/435278705.db2.gz INPCZENNNWVXIB-GJZGRUSLSA-N 0 3 321.465 3.448 20 30 DGEDHN N#Cc1cc(NC(=O)[C@H]2CCCCN2C2CCCC2)ccc1F ZINC000584209396 435284033 /nfs/dbraw/zinc/28/40/33/435284033.db2.gz QBGFTPCXUMDKAC-QGZVFWFLSA-N 0 3 315.392 3.433 20 30 DGEDHN C[C@@H](CCC#N)N1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000497023136 435286580 /nfs/dbraw/zinc/28/65/80/435286580.db2.gz RDLDHVHQLJTJGU-SYJJWHGVSA-N 0 3 321.465 3.448 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1nc(C#N)c(Cl)s1)C(C)C ZINC000590571610 435298143 /nfs/dbraw/zinc/29/81/43/435298143.db2.gz SSUGCWGONFSMMV-ZDUSSCGKSA-N 0 3 324.881 3.779 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(C)cn1)Cc1cccs1 ZINC000567213106 435298716 /nfs/dbraw/zinc/29/87/16/435298716.db2.gz VQJGVAVVLQBJKL-UHFFFAOYSA-N 0 3 315.442 3.468 20 30 DGEDHN Cc1nn(-c2ccncc2)cc1CN1CCC(CCC#N)CC1 ZINC000583995293 435263871 /nfs/dbraw/zinc/26/38/71/435263871.db2.gz CQUKHDNFSRTBQM-UHFFFAOYSA-N 0 3 309.417 3.092 20 30 DGEDHN C=CCCCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000479502284 435335569 /nfs/dbraw/zinc/33/55/69/435335569.db2.gz LXKSJJQMMVOUHR-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000648744945 435406360 /nfs/dbraw/zinc/40/63/60/435406360.db2.gz KSUREPLJXIDAAK-BMFZPTHFSA-N 0 3 305.418 3.306 20 30 DGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1ccc(C#N)cn1 ZINC000514611322 435424426 /nfs/dbraw/zinc/42/44/26/435424426.db2.gz JLDXINXKCTUCHL-DFQSSKMNSA-N 0 3 321.424 3.394 20 30 DGEDHN C=CCN(C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000513366729 435386335 /nfs/dbraw/zinc/38/63/35/435386335.db2.gz VQDHLBKVXCHRHJ-SFHVURJKSA-N 0 3 317.477 3.315 20 30 DGEDHN CC[C@@H](C)CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000480713250 435393596 /nfs/dbraw/zinc/39/35/96/435393596.db2.gz FADIVLFMGQBSNL-OAHLLOKOSA-N 0 3 308.429 3.275 20 30 DGEDHN C=CCN(C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)C1CC1 ZINC000537911028 435473388 /nfs/dbraw/zinc/47/33/88/435473388.db2.gz KQVHQORONBTTJO-HNNXBMFYSA-N 0 3 315.461 3.476 20 30 DGEDHN Cn1cc(CNC[C@H](Cc2ccccc2)C(F)(F)F)cc1C#N ZINC000568377801 435429395 /nfs/dbraw/zinc/42/93/95/435429395.db2.gz WCSQQHKXOVFRLL-HNNXBMFYSA-N 0 3 321.346 3.408 20 30 DGEDHN CC(C)(O)CN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000537219288 435433485 /nfs/dbraw/zinc/43/34/85/435433485.db2.gz IIEAULPDBDKDEK-UHFFFAOYSA-N 0 3 311.400 3.450 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]1C(C)C)C(C)C ZINC000537230771 435433628 /nfs/dbraw/zinc/43/36/28/435433628.db2.gz TYZWEAIBAHEVQT-DLBZAZTESA-N 0 3 307.482 3.125 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C(C)(C)C)C1 ZINC000483252402 435505689 /nfs/dbraw/zinc/50/56/89/435505689.db2.gz WLZRDSVKPOYRBT-HOTGVXAUSA-N 0 3 319.493 3.476 20 30 DGEDHN N#Cc1c(CN2CCC[C@@H]2[C@H]2CCCOC2)cn2ccccc12 ZINC000569689874 435553467 /nfs/dbraw/zinc/55/34/67/435553467.db2.gz UBKUNSVKZWHPNY-MAUKXSAKSA-N 0 3 309.413 3.202 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000649307985 435561651 /nfs/dbraw/zinc/56/16/51/435561651.db2.gz SAYNYBOSEUKATO-SFHVURJKSA-N 0 3 302.393 3.423 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000540576424 435608841 /nfs/dbraw/zinc/60/88/41/435608841.db2.gz DPSFTYLEXYEXLO-WMZOPIPTSA-N 0 3 319.832 3.403 20 30 DGEDHN CC(C)CC[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486812898 435615022 /nfs/dbraw/zinc/61/50/22/435615022.db2.gz OTPVOJMSKADKNX-INIZCTEOSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540886148 435623287 /nfs/dbraw/zinc/62/32/87/435623287.db2.gz MUYQTNUVUVGILN-STQMWFEESA-N 0 3 319.836 3.062 20 30 DGEDHN Cc1cc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)ccc1C#N ZINC000488125215 435635826 /nfs/dbraw/zinc/63/58/26/435635826.db2.gz LFWVWPMUCJCELN-QZTJIDSGSA-N 0 3 316.470 3.353 20 30 DGEDHN C=C(CC)CN(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000540202161 435593706 /nfs/dbraw/zinc/59/37/06/435593706.db2.gz OCHVLZZLRUZWIM-CYBMUJFWSA-N 0 3 317.351 3.343 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000570156857 435594022 /nfs/dbraw/zinc/59/40/22/435594022.db2.gz NBQXMLTXCWBOQW-IPMKNSEASA-N 0 3 321.424 3.326 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000486311325 435595477 /nfs/dbraw/zinc/59/54/77/435595477.db2.gz NKZYBPPHXHCNEI-RDJZCZTQSA-N 0 3 301.434 3.039 20 30 DGEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1OC(F)F ZINC000541921298 435645505 /nfs/dbraw/zinc/64/55/05/435645505.db2.gz BVNWBCMCPXKWDD-UHFFFAOYSA-N 0 3 310.344 3.422 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C2CC2)C1)C(C)C ZINC000489842125 435651187 /nfs/dbraw/zinc/65/11/87/435651187.db2.gz NAZRGNNPGQSIFT-ZWKOTPCHSA-N 0 3 319.493 3.127 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000490495762 435657949 /nfs/dbraw/zinc/65/79/49/435657949.db2.gz KZOKXCAPKGGHHX-YOEHRIQHSA-N 0 3 323.396 3.040 20 30 DGEDHN C#CCN(Cc1cn(C)nc1-c1ccncc1)C1CCCCC1 ZINC000490898030 435688258 /nfs/dbraw/zinc/68/82/58/435688258.db2.gz HJVKGNBUUWTCLQ-UHFFFAOYSA-N 0 3 308.429 3.250 20 30 DGEDHN C[C@H]1CN(CCC(C)(C)C#N)C[C@H](C)N1CCC(C)(C)C#N ZINC000337229080 300254003 /nfs/dbraw/zinc/25/40/03/300254003.db2.gz HNCSNRJODAMFSV-HOTGVXAUSA-N 0 3 304.482 3.261 20 30 DGEDHN CCC#C[C@H](C)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649780661 435702471 /nfs/dbraw/zinc/70/24/71/435702471.db2.gz FYPDDXMKOKZXEY-IJEWVQPXSA-N 0 3 301.434 3.249 20 30 DGEDHN Cc1cnccc1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000571794868 435741616 /nfs/dbraw/zinc/74/16/16/435741616.db2.gz JSYDMNJVKPQWMT-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C)C(C)C ZINC000520608758 435760476 /nfs/dbraw/zinc/76/04/76/435760476.db2.gz WGNDYIRTZAHLBS-BRWVUGGUSA-N 0 3 307.482 3.173 20 30 DGEDHN C#C[C@H](NC1CCN(c2nccs2)CC1)c1ccc(F)cc1 ZINC000491726368 435800046 /nfs/dbraw/zinc/80/00/46/435800046.db2.gz GDPICIUALLALLR-INIZCTEOSA-N 0 3 315.417 3.215 20 30 DGEDHN C#C[C@H](NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000491734612 435801166 /nfs/dbraw/zinc/80/11/66/435801166.db2.gz SGDVNATWSGGDEA-SFHVURJKSA-N 0 3 309.388 3.154 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccccc1OCc1ccccn1 ZINC000641760355 435811891 /nfs/dbraw/zinc/81/18/91/435811891.db2.gz QIARYIKISXVJOK-QGZVFWFLSA-N 0 3 312.413 3.077 20 30 DGEDHN COCC#CCN[C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000650087203 435813411 /nfs/dbraw/zinc/81/34/11/435813411.db2.gz MQJDFEGKJZGUSB-OAHLLOKOSA-N 0 3 315.335 3.022 20 30 DGEDHN CC#CC[C@@H](CO)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000641768762 435814688 /nfs/dbraw/zinc/81/46/88/435814688.db2.gz HIDHXFHXPNRZRV-NSHDSACASA-N 0 3 305.727 3.223 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](NCc2ccncc2OC[C@@H]2CCOC2)C1 ZINC000651813000 435834780 /nfs/dbraw/zinc/83/47/80/435834780.db2.gz SSTATBCOHQJLBW-JFIYKMOQSA-N 0 3 316.445 3.331 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000572765977 435865764 /nfs/dbraw/zinc/86/57/64/435865764.db2.gz JQUTXTGBXFGXQZ-MSOLQXFVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCCc3c2ccc(=O)n3C)cc1 ZINC000652044385 435896521 /nfs/dbraw/zinc/89/65/21/435896521.db2.gz LNBCYXDXYMGKIN-GOSISDBHSA-N 0 3 324.424 3.117 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000665386042 435964602 /nfs/dbraw/zinc/96/46/02/435964602.db2.gz NXJGWFZMMOMJRB-AOIWGVFYSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000665389146 435964950 /nfs/dbraw/zinc/96/49/50/435964950.db2.gz CDZNGTSKXNHXTB-JQHSSLGASA-N 0 3 321.509 3.493 20 30 DGEDHN C=CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000661134593 435978171 /nfs/dbraw/zinc/97/81/71/435978171.db2.gz QICYOCNSIPFSRS-KRWDZBQOSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661192894 435992623 /nfs/dbraw/zinc/99/26/23/435992623.db2.gz AZARKLBIFRDTCC-MSOLQXFVSA-N 0 3 303.446 3.383 20 30 DGEDHN C=CCCC1(CN[C@H](C(N)=O)c2ccc(F)cc2)CCCC1 ZINC000656679130 436002715 /nfs/dbraw/zinc/00/27/15/436002715.db2.gz FTFUFHIBZAAJHG-INIZCTEOSA-N 0 3 304.409 3.468 20 30 DGEDHN C=CCN(CCCc1nc(-c2ccccc2)no1)[C@H](C)COC ZINC000661245847 436007323 /nfs/dbraw/zinc/00/73/23/436007323.db2.gz DFBZMIMSGCUSMY-OAHLLOKOSA-N 0 3 315.417 3.192 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)OCO2)c1nc(C2CC2)cs1 ZINC000647371452 436033528 /nfs/dbraw/zinc/03/35/28/436033528.db2.gz QVZIIPKOLRFFTD-LLVKDONJSA-N 0 3 312.350 3.239 20 30 DGEDHN C=CCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000661571306 436109563 /nfs/dbraw/zinc/10/95/63/436109563.db2.gz SJPCIDBUAHJBIZ-ZFWWWQNUSA-N 0 3 307.463 3.006 20 30 DGEDHN C=CCCn1cc(CNCCCc2cccc(Cl)c2)nn1 ZINC000657348824 436150613 /nfs/dbraw/zinc/15/06/13/436150613.db2.gz ITEDVXBTECTKHY-UHFFFAOYSA-N 0 3 304.825 3.230 20 30 DGEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(F)cc2)nn1 ZINC000657351897 436154990 /nfs/dbraw/zinc/15/49/90/436154990.db2.gz HPFCQUXJVHZGSK-UHFFFAOYSA-N 0 3 302.397 3.061 20 30 DGEDHN C=CCN(CC(=O)NCc1ccc(COCC)cc1)C(C)(C)C ZINC000661756625 436178382 /nfs/dbraw/zinc/17/83/82/436178382.db2.gz TVIUPHLTWWDBCN-UHFFFAOYSA-N 0 3 318.461 3.126 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(OC2CC2)c1F ZINC000657454806 436209945 /nfs/dbraw/zinc/20/99/45/436209945.db2.gz MLKQRBLJNPKGMG-RDTXWAMCSA-N 0 3 305.393 3.438 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1Cl ZINC000657707615 436286455 /nfs/dbraw/zinc/28/64/55/436286455.db2.gz VDZCQRQYFPAQLP-JKSUJKDBSA-N 0 3 307.821 3.298 20 30 DGEDHN C=CCCNCc1c(Br)cc(OC)cc1OC ZINC000657582783 436253568 /nfs/dbraw/zinc/25/35/68/436253568.db2.gz GELBKYICCIUCQB-UHFFFAOYSA-N 0 3 300.196 3.132 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(Cl)c1 ZINC000662079624 436268789 /nfs/dbraw/zinc/26/87/89/436268789.db2.gz LCSQACMGEQIVSW-IYBDPMFKSA-N 0 3 304.821 3.139 20 30 DGEDHN CCC(C)(C)N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000653810843 436269491 /nfs/dbraw/zinc/26/94/91/436269491.db2.gz TWTYVBUIBCZTDA-UHFFFAOYSA-N 0 3 304.865 3.498 20 30 DGEDHN C=CCOCCCNCc1cn(-c2ccccc2F)nc1C ZINC000657658964 436270131 /nfs/dbraw/zinc/27/01/31/436270131.db2.gz LUMLXILSKRAZOZ-UHFFFAOYSA-N 0 3 303.381 3.002 20 30 DGEDHN C=CCOc1ccc(CNC[C@@H]2CCC[C@H](C)O2)cc1OC ZINC000657666741 436272467 /nfs/dbraw/zinc/27/24/67/436272467.db2.gz SWCNCSYMSSUWEA-HOCLYGCPSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000666928905 436308239 /nfs/dbraw/zinc/30/82/39/436308239.db2.gz WUZZPYBBWXBVQE-MRXNPFEDSA-N 0 3 319.424 3.008 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2c(F)cccc2F)CC1 ZINC000654748149 436462310 /nfs/dbraw/zinc/46/23/10/436462310.db2.gz VYUSWRZXQWYOGP-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCC[C@@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccco1 ZINC000658310150 436426964 /nfs/dbraw/zinc/42/69/64/436426964.db2.gz BBJXJGFRHBPNQW-CRAIPNDOSA-N 0 3 307.434 3.444 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659249298 436481547 /nfs/dbraw/zinc/48/15/47/436481547.db2.gz CPSZKYJGWMPFHN-HXUWFJFHSA-N 0 3 320.436 3.478 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000659519017 436512854 /nfs/dbraw/zinc/51/28/54/436512854.db2.gz BWCUSDAUCQJTNY-ZACQAIPSSA-N 0 3 301.434 3.121 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000660280084 436617805 /nfs/dbraw/zinc/61/78/05/436617805.db2.gz LTBOGEQKNGBIQB-PBHICJAKSA-N 0 3 305.466 3.047 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000660280085 436618342 /nfs/dbraw/zinc/61/83/42/436618342.db2.gz LTBOGEQKNGBIQB-RHSMWYFYSA-N 0 3 305.466 3.047 20 30 DGEDHN N#CCSCCCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000480 303156441 /nfs/dbraw/zinc/15/64/41/303156441.db2.gz OJEYRMTXWCERSH-QGZVFWFLSA-N 0 3 316.470 3.487 20 30 DGEDHN N#Cc1ccc(CNCCCc2nc(-c3ccncc3)cs2)o1 ZINC000174389662 312762635 /nfs/dbraw/zinc/76/26/35/312762635.db2.gz RQDRSQASTBNZFU-UHFFFAOYSA-N 0 3 324.409 3.392 20 30 DGEDHN N#Cc1cccc(CNCCNc2ncc(Cl)cc2Cl)c1 ZINC000177371091 312780810 /nfs/dbraw/zinc/78/08/10/312780810.db2.gz PRDMXPNBOUWOFW-UHFFFAOYSA-N 0 3 321.211 3.462 20 30 DGEDHN COc1ccc(O[C@@H](C)CNCc2cc(C#N)cs2)cc1 ZINC000177707357 312783471 /nfs/dbraw/zinc/78/34/71/312783471.db2.gz CUQHYGMNFBHPAR-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN(C3CCCCC3)CC2)c1C#N ZINC000543136368 314116116 /nfs/dbraw/zinc/11/61/16/314116116.db2.gz DBWJBVOVWVUKQB-UHFFFAOYSA-N 0 3 318.852 3.370 20 30 DGEDHN C[C@H](CC(N)=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961694 314166045 /nfs/dbraw/zinc/16/60/45/314166045.db2.gz RCYJAXZGXGWZHR-ZIAGYGMSSA-N 0 3 307.397 3.140 20 30 DGEDHN CCCC[C@@H](CC)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000546933775 314337799 /nfs/dbraw/zinc/33/77/99/314337799.db2.gz AOBMBWTXOCCEKW-MRXNPFEDSA-N 0 3 300.450 3.292 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)c1C#N ZINC000547832991 314401218 /nfs/dbraw/zinc/40/12/18/314401218.db2.gz OKEDOGIVZZEOQL-PBFPGSCMSA-N 0 3 300.402 3.259 20 30 DGEDHN C[C@H](CN1CCN(c2cnccc2C#N)CC1)C1CCCCC1 ZINC000559247558 314877695 /nfs/dbraw/zinc/87/76/95/314877695.db2.gz CEBFAXCQBKXTDT-MRXNPFEDSA-N 0 3 312.461 3.292 20 30 DGEDHN CC(C)[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(F)cc1 ZINC000559271709 314878961 /nfs/dbraw/zinc/87/89/61/314878961.db2.gz GFRYRMDTAVYCKO-KRWDZBQOSA-N 0 3 323.375 3.227 20 30 DGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000562547972 315029609 /nfs/dbraw/zinc/02/96/09/315029609.db2.gz GXVGGOZYZOAETQ-YDVWWWKISA-N 0 3 321.424 3.029 20 30 DGEDHN CC(C)C(CN1CCN(c2cnccc2C#N)CC1)C(C)C ZINC000564029155 315153136 /nfs/dbraw/zinc/15/31/36/315153136.db2.gz LATMAYZAQYHEGZ-UHFFFAOYSA-N 0 3 300.450 3.003 20 30 DGEDHN Cc1csc(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1C#N ZINC000565161721 315236045 /nfs/dbraw/zinc/23/60/45/315236045.db2.gz KCFMTPCOJBPKRV-AAEUAGOBSA-N 0 3 320.462 3.170 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ncccc1Cl)CC2 ZINC000565686440 315279767 /nfs/dbraw/zinc/27/97/67/315279767.db2.gz IKQAROSROMLQTF-INIZCTEOSA-N 0 3 313.788 3.263 20 30 DGEDHN C[C@H]1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CO1 ZINC000567165891 315400880 /nfs/dbraw/zinc/40/08/80/315400880.db2.gz AVPQFSPIXYICFM-HNAYVOBHSA-N 0 3 322.408 3.404 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@H](Cc2ccccc2)C2CC2)cc1 ZINC000183401998 323336201 /nfs/dbraw/zinc/33/62/01/323336201.db2.gz REXCRKHFUVTFJR-LJQANCHMSA-N 0 3 319.408 3.108 20 30 DGEDHN Cc1cccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000183724548 323346192 /nfs/dbraw/zinc/34/61/92/323346192.db2.gz HTSBVNDQJANQGH-HNNXBMFYSA-N 0 3 307.397 3.464 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000580991799 324061613 /nfs/dbraw/zinc/06/16/13/324061613.db2.gz VPFHTOJTFXUYKQ-MJGOQNOKSA-N 0 3 310.397 3.039 20 30 DGEDHN COC(=O)[C@@](C)(CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000582101923 324188533 /nfs/dbraw/zinc/18/85/33/324188533.db2.gz XOIIFNDMMFQHQJ-FQEVSTJZSA-N 0 3 322.408 3.087 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000180450039 331569481 /nfs/dbraw/zinc/56/94/81/331569481.db2.gz RYMZLLKSGUPSDX-KRWDZBQOSA-N 0 3 301.434 3.041 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000255547362 331768004 /nfs/dbraw/zinc/76/80/04/331768004.db2.gz UZAZPIPGRDVGLU-YVMONPNESA-N 0 3 304.821 3.120 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC000255567060 331771975 /nfs/dbraw/zinc/77/19/75/331771975.db2.gz NVEZZKKXHJEZOB-ARJAWSKDSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000150902822 332198064 /nfs/dbraw/zinc/19/80/64/332198064.db2.gz BRUIKVYTEQQGAM-OAHLLOKOSA-N 0 3 306.454 3.469 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(F)c2)CC1 ZINC000152750878 332320345 /nfs/dbraw/zinc/32/03/45/332320345.db2.gz HIMKLFAZFBFCAX-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000247086043 332547346 /nfs/dbraw/zinc/54/73/46/332547346.db2.gz HZVYCAFOFLLWRF-YQQAZPJKSA-N 0 3 307.482 3.151 20 30 DGEDHN COc1ccc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000566927584 332613653 /nfs/dbraw/zinc/61/36/53/332613653.db2.gz HNJLLNVOYRNPCG-LSDHHAIUSA-N 0 3 300.402 3.231 20 30 DGEDHN C=C(C)CN1CCC(N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000185210933 335119263 /nfs/dbraw/zinc/11/92/63/335119263.db2.gz IMCIOTPXDZSKHB-SFHVURJKSA-N 0 3 310.445 3.129 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000188411045 333365856 /nfs/dbraw/zinc/36/58/56/333365856.db2.gz WQSONJJPKDZMNX-IEBWSBKVSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCN(CC=C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000571499594 333805874 /nfs/dbraw/zinc/80/58/74/333805874.db2.gz MFOHDFCFLJDVQD-UHFFFAOYSA-N 0 3 300.402 3.282 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@H]3CC[C@@H](C#N)C3)ccc2NC1=O ZINC000278505334 334097106 /nfs/dbraw/zinc/09/71/06/334097106.db2.gz ATYVCCKPJBHSQX-LMWOUKEDSA-N 0 3 313.401 3.139 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000340140810 334133754 /nfs/dbraw/zinc/13/37/54/334133754.db2.gz RONQDLGUMMIZKM-GOSISDBHSA-N 0 3 313.445 3.137 20 30 DGEDHN CN(CCCCC#N)C[C@H](O)c1ccccc1Br ZINC000295238259 334220997 /nfs/dbraw/zinc/22/09/97/334220997.db2.gz DIENWHRJHRYZBZ-AWEZNQCLSA-N 0 3 311.223 3.108 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1C(C)(C)C ZINC000048813419 334299003 /nfs/dbraw/zinc/29/90/03/334299003.db2.gz IXUBJHYRLUMGKP-GFCCVEGCSA-N 0 3 321.384 3.313 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(SC)o1)C(C)C ZINC000112403614 334681103 /nfs/dbraw/zinc/68/11/03/334681103.db2.gz GCJNMMVFBPWXTQ-CQSZACIVSA-N 0 3 322.474 3.430 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2sc(Br)cc21 ZINC000321047704 337187621 /nfs/dbraw/zinc/18/76/21/337187621.db2.gz UTDSWPBPTTWUHN-GXSJLCMTSA-N 0 3 316.264 3.415 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398165509 337307848 /nfs/dbraw/zinc/30/78/48/337307848.db2.gz MLLLFAOAXRIDKM-RDJZCZTQSA-N 0 3 313.445 3.096 20 30 DGEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000219701453 337351193 /nfs/dbraw/zinc/35/11/93/337351193.db2.gz GWYWAMOKKPECDG-JKSUJKDBSA-N 0 3 305.466 3.182 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc2ccccc21 ZINC000572091767 337589092 /nfs/dbraw/zinc/58/90/92/337589092.db2.gz SRZNBDREKYREGH-MSOLQXFVSA-N 0 3 310.397 3.102 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000268800999 337635554 /nfs/dbraw/zinc/63/55/54/337635554.db2.gz AYUUGLQDVQYLND-PNHOKKKMSA-N 0 3 307.393 3.008 20 30 DGEDHN C=C(CNCc1ccc2c(c1)CCC(=O)N2C)c1ccccc1 ZINC000274748841 337660683 /nfs/dbraw/zinc/66/06/83/337660683.db2.gz DUWYAKLEIWWJDX-UHFFFAOYSA-N 0 3 306.409 3.399 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@]2(C)OC(C)C)cc1OC ZINC000527800532 337764845 /nfs/dbraw/zinc/76/48/45/337764845.db2.gz PIGWGSSCDZWILX-MSOLQXFVSA-N 0 3 305.418 3.306 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccccc2Cl)CC1 ZINC000106040720 337812267 /nfs/dbraw/zinc/81/22/67/337812267.db2.gz JOYBNSDVGMDGKM-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(Br)ccc1F ZINC000537095157 337889546 /nfs/dbraw/zinc/88/95/46/337889546.db2.gz MKQSNSWOYDFEQQ-GHMZBOCLSA-N 0 3 316.214 3.423 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2cccc(C)c2)C(C)(C)C)C1=O ZINC000499612357 340041048 /nfs/dbraw/zinc/04/10/48/340041048.db2.gz RQWJFPPRWZUZQB-IAGOWNOFSA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000505749392 340176625 /nfs/dbraw/zinc/17/66/25/340176625.db2.gz DKQTVPPXPWTGNU-HNNXBMFYSA-N 0 3 309.841 3.208 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508883868 340255093 /nfs/dbraw/zinc/25/50/93/340255093.db2.gz XFJFAMGASVZXBY-KBAYOESNSA-N 0 3 315.461 3.428 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508896701 340255434 /nfs/dbraw/zinc/25/54/34/340255434.db2.gz IQERVLAWOOSNEZ-RDJZCZTQSA-N 0 3 303.450 3.204 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000509582002 340273994 /nfs/dbraw/zinc/27/39/94/340273994.db2.gz FTLLTGHCNVWLAO-HUUCEWRRSA-N 0 3 307.438 3.316 20 30 DGEDHN CCOc1ccc(CCC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000510342475 340296515 /nfs/dbraw/zinc/29/65/15/340296515.db2.gz NSLRTHZAYKVKTA-HNNXBMFYSA-N 0 3 314.429 3.416 20 30 DGEDHN C=C(C)CCN1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000510769286 340310423 /nfs/dbraw/zinc/31/04/23/340310423.db2.gz VMCBHRBYZNWIMV-UHFFFAOYSA-N 0 3 319.405 3.082 20 30 DGEDHN C[C@H]1CSC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000512192727 340351619 /nfs/dbraw/zinc/35/16/19/340351619.db2.gz BNEJQEFKHLKNSE-SMDDNHRTSA-N 0 3 315.360 3.278 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CCCC[C@H]2C)CC1 ZINC000512636286 340370337 /nfs/dbraw/zinc/37/03/37/340370337.db2.gz KXJKBJMBTQEATP-HZPDHXFCSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CC=CCC1)C(C)C ZINC000514073777 340444556 /nfs/dbraw/zinc/44/45/56/340444556.db2.gz CLHBXKLZRRANRA-ROUUACIJSA-N 0 3 319.493 3.341 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC(CC)(CC)CC2)CC1 ZINC000186905820 340516754 /nfs/dbraw/zinc/51/67/54/340516754.db2.gz AEDXYDQMKOPBLO-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)Cc2ccccc2)CC1 ZINC000522130310 340575609 /nfs/dbraw/zinc/57/56/09/340575609.db2.gz ANQRHAVHCVBCAY-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN CC(C)(C#N)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000126725731 340831097 /nfs/dbraw/zinc/83/10/97/340831097.db2.gz VOJULDWJMYZIBI-AWEZNQCLSA-N 0 3 307.235 3.446 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000127207187 340846598 /nfs/dbraw/zinc/84/65/98/340846598.db2.gz ZNYKPAIHIQEDPQ-GOSISDBHSA-N 0 3 300.446 3.482 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000539443174 340885709 /nfs/dbraw/zinc/88/57/09/340885709.db2.gz LHKSFOOGJQAFRY-OAHLLOKOSA-N 0 3 319.449 3.493 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C(C)(C)C)C1 ZINC000542319599 341004583 /nfs/dbraw/zinc/00/45/83/341004583.db2.gz JGVNDSWRGQCNTM-LSDHHAIUSA-N 0 3 305.466 3.086 20 30 DGEDHN CN(C(=O)CN1CC[C@@H](C(C)(C)C)C1)C1(C#N)CCCCC1 ZINC000543251825 341038409 /nfs/dbraw/zinc/03/84/09/341038409.db2.gz JBGPDIZYDKEMHV-OAHLLOKOSA-N 0 3 305.466 3.039 20 30 DGEDHN COC[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000543455540 341045681 /nfs/dbraw/zinc/04/56/81/341045681.db2.gz VXKKKUCPSJGIOK-OAHLLOKOSA-N 0 3 315.335 3.197 20 30 DGEDHN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]2CCCC[C@H]21 ZINC000543905185 341062926 /nfs/dbraw/zinc/06/29/26/341062926.db2.gz DQTDUIJCMXPCGZ-IXDOHACOSA-N 0 3 317.477 3.182 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@](C)(CC)C2)CC1 ZINC000074129901 341129553 /nfs/dbraw/zinc/12/95/53/341129553.db2.gz FHTXSADAAUVCHL-SFHVURJKSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCNC(=O)CN[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000133310560 341172289 /nfs/dbraw/zinc/17/22/89/341172289.db2.gz BLEUCJZQJUKRBL-HXUWFJFHSA-N 0 3 322.452 3.122 20 30 DGEDHN CCCCN(C)CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000133917795 341199583 /nfs/dbraw/zinc/19/95/83/341199583.db2.gz WITCTFAOYXXILX-QGZVFWFLSA-N 0 3 316.449 3.063 20 30 DGEDHN CC(C)(C#N)CCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000547346092 341207510 /nfs/dbraw/zinc/20/75/10/341207510.db2.gz UFYJHYXBOGDMEJ-CQSZACIVSA-N 0 3 306.372 3.342 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)c2cccc(Cl)c2)C1=O ZINC000547406560 341211522 /nfs/dbraw/zinc/21/15/22/341211522.db2.gz OTLSWOGZYLBVMP-CZUORRHYSA-N 0 3 306.837 3.162 20 30 DGEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000134506921 341216576 /nfs/dbraw/zinc/21/65/76/341216576.db2.gz ASVGTZLDXAFIID-UHFFFAOYSA-N 0 3 305.809 3.412 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN1CC[C@H](C)C1 ZINC000547948127 341240332 /nfs/dbraw/zinc/24/03/32/341240332.db2.gz FPWKQRPYLCRWBW-AWEZNQCLSA-N 0 3 304.459 3.036 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCN1CC[C@@H](C)C1)c1ccccc1 ZINC000547978384 341241839 /nfs/dbraw/zinc/24/18/39/341241839.db2.gz XPEORMSUQIMTIZ-SJLPKXTDSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@H](C)N1CCCC1 ZINC000548271872 341253634 /nfs/dbraw/zinc/25/36/34/341253634.db2.gz IEYFGJPAKTZMNX-AWEZNQCLSA-N 0 3 304.459 3.179 20 30 DGEDHN C=C(C)CN(CC)C(=O)NCCCN1CCc2ccccc2C1 ZINC000079286016 341256244 /nfs/dbraw/zinc/25/62/44/341256244.db2.gz YOSNXSIWBOKNIG-UHFFFAOYSA-N 0 3 315.461 3.042 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000548604739 341266945 /nfs/dbraw/zinc/26/69/45/341266945.db2.gz YEMCAKPKBFHHME-AWEZNQCLSA-N 0 3 304.459 3.036 20 30 DGEDHN CN(CCOc1ccc(Br)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000549337268 341291471 /nfs/dbraw/zinc/29/14/71/341291471.db2.gz LYRBCBSZBQIMHL-GXTWGEPZSA-N 0 3 323.234 3.452 20 30 DGEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000246228348 341335873 /nfs/dbraw/zinc/33/58/73/341335873.db2.gz MGRPJQQQWRVJFB-HUUCEWRRSA-N 0 3 317.408 3.193 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000552211671 341378577 /nfs/dbraw/zinc/37/85/77/341378577.db2.gz VUPMYFBLDXJNRC-MRXNPFEDSA-N 0 3 320.864 3.295 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CCNC[C@H](C#N)CCC#N)cc2)n1 ZINC000554487827 341455199 /nfs/dbraw/zinc/45/51/99/341455199.db2.gz QEODIDUZLAAJDA-SFHVURJKSA-N 0 3 321.428 3.065 20 30 DGEDHN COc1ccc([C@@H](CCC#N)NCCNc2cccc(C)n2)cc1 ZINC000556078668 341493492 /nfs/dbraw/zinc/49/34/92/341493492.db2.gz XMGNMBMGVULPGN-GOSISDBHSA-N 0 3 324.428 3.445 20 30 DGEDHN COc1ccc(CNC[C@]2(C)CCCO2)cc1OCCCC#N ZINC000152891300 341510521 /nfs/dbraw/zinc/51/05/21/341510521.db2.gz FQCOCNMEXCHDFC-SFHVURJKSA-N 0 3 318.417 3.036 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H](N)Cc2ccccc21)c1ccccc1 ZINC000565604786 341532555 /nfs/dbraw/zinc/53/25/55/341532555.db2.gz YCNBWKSEVRBWAG-YJBOKZPZSA-N 0 3 306.409 3.263 20 30 DGEDHN N#CCCC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000566559109 341561795 /nfs/dbraw/zinc/56/17/95/341561795.db2.gz VZFWFYVBQDPGIO-UHFFFAOYSA-N 0 3 308.429 3.447 20 30 DGEDHN CC[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)N(CC)CC ZINC000573934118 341743606 /nfs/dbraw/zinc/74/36/06/341743606.db2.gz OBTJFNJKUYGNPB-HNNXBMFYSA-N 0 3 307.825 3.465 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000171607194 341781304 /nfs/dbraw/zinc/78/13/04/341781304.db2.gz JHJRCYSJJSQJGG-NVXWUHKLSA-N 0 3 307.482 3.247 20 30 DGEDHN COc1cc(CN(C)CCN(C)c2ccccc2)ccc1C#N ZINC000442891390 533780452 /nfs/dbraw/zinc/78/04/52/533780452.db2.gz RJMVKTRPJONSJG-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN COc1cc(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)ccc1C#N ZINC000442890115 533794002 /nfs/dbraw/zinc/79/40/02/533794002.db2.gz NCYBYNARVYOBLG-FUHWJXTLSA-N 0 3 302.418 3.202 20 30 DGEDHN COc1cc(CNC(=O)C(C)C#N)ccc1OCc1ccccc1 ZINC000357812337 533858240 /nfs/dbraw/zinc/85/82/40/533858240.db2.gz ZWAHUOMWJUOHLU-AWEZNQCLSA-N 0 3 324.380 3.050 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)Oc1ccccc1 ZINC000433357016 534019717 /nfs/dbraw/zinc/01/97/17/534019717.db2.gz WDEQDDGIRBULOJ-WMZOPIPTSA-N 0 3 322.408 3.343 20 30 DGEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000443642292 534022171 /nfs/dbraw/zinc/02/21/71/534022171.db2.gz NUOGIKGKWUMBCH-SJORKVTESA-N 0 3 313.445 3.301 20 30 DGEDHN COc1ccc(OC(F)F)c(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185857009 534218841 /nfs/dbraw/zinc/21/88/41/534218841.db2.gz ISLQLVZCUKUZCG-WCQYABFASA-N 0 3 310.344 3.469 20 30 DGEDHN CC(C#N)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000355864711 534281845 /nfs/dbraw/zinc/28/18/45/534281845.db2.gz DSHDTOKQPHXEAU-LLVKDONJSA-N 0 3 321.218 3.099 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(C)(NC/C(Cl)=C/Cl)CC1 ZINC001502791568 1186011669 /nfs/dbraw/zinc/01/16/69/1186011669.db2.gz HGXSOBHYDLHEDD-BENRWUELSA-N 0 3 319.276 3.488 20 30 DGEDHN CCN(C)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103206788 520237356 /nfs/dbraw/zinc/23/73/56/520237356.db2.gz ZNBZMJNQVLIYSY-UHFFFAOYSA-N 0 3 323.396 3.032 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000458988542 534505258 /nfs/dbraw/zinc/50/52/58/534505258.db2.gz OCQCGWFRUKZONG-UHFFFAOYSA-N 0 3 317.477 3.280 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000458985713 534505737 /nfs/dbraw/zinc/50/57/37/534505737.db2.gz IXCHAGNSZTYOHT-UHFFFAOYSA-N 0 3 319.449 3.098 20 30 DGEDHN C=CC(C)(C)CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000455375503 534506377 /nfs/dbraw/zinc/50/63/77/534506377.db2.gz ZDGJZONYZXVAKX-UHFFFAOYSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000458805960 534545429 /nfs/dbraw/zinc/54/54/29/534545429.db2.gz BMFDWCINNFMMSN-INIZCTEOSA-N 0 3 307.482 3.249 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)s1 ZINC000449549030 534573566 /nfs/dbraw/zinc/57/35/66/534573566.db2.gz TVJLVMHYPVZBCP-MNOVXSKESA-N 0 3 302.237 3.334 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000449548728 534574688 /nfs/dbraw/zinc/57/46/88/534574688.db2.gz QBDYFCMDLFUNFR-MSOLQXFVSA-N 0 3 300.402 3.192 20 30 DGEDHN C=CCC1(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CCCC1 ZINC000459050478 534598300 /nfs/dbraw/zinc/59/83/00/534598300.db2.gz NFJLRAVLSRVZRU-HZPDHXFCSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCC1(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CCCC1 ZINC000459057899 534599121 /nfs/dbraw/zinc/59/91/21/534599121.db2.gz ZBTGWWOPCGLZLL-SJORKVTESA-N 0 3 319.493 3.249 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccncc2)ccc1OC ZINC000449517956 534608924 /nfs/dbraw/zinc/60/89/24/534608924.db2.gz IGKBTAIMZFQJFO-MSOLQXFVSA-N 0 3 310.397 3.190 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000451610312 534609119 /nfs/dbraw/zinc/60/91/19/534609119.db2.gz YQIHKEPWOIERFI-XYPHTWIQSA-N 0 3 302.418 3.072 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000467894695 534615228 /nfs/dbraw/zinc/61/52/28/534615228.db2.gz WFMKDKFFHKMIFR-IBGZPJMESA-N 0 3 315.461 3.369 20 30 DGEDHN N#CCCC[C@H](NCc1c[nH]c2nccnc12)c1ccccc1 ZINC000353917198 534629275 /nfs/dbraw/zinc/62/92/75/534629275.db2.gz SXTFEPUQAFHYMT-INIZCTEOSA-N 0 3 305.385 3.434 20 30 DGEDHN C=CCCCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000473727386 534687463 /nfs/dbraw/zinc/68/74/63/534687463.db2.gz WWOWHZLXULQGDX-UHFFFAOYSA-N 0 3 319.449 3.413 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000489401180 534694413 /nfs/dbraw/zinc/69/44/13/534694413.db2.gz ILCUQWWXRGEMBV-LSDHHAIUSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000449182184 534695405 /nfs/dbraw/zinc/69/54/05/534695405.db2.gz BAMJNVZLWLCMEK-CHWSQXEVSA-N 0 3 318.425 3.276 20 30 DGEDHN N#CCc1ccc(CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000342766794 534717826 /nfs/dbraw/zinc/71/78/26/534717826.db2.gz XMGKPBFNWZBITA-UHFFFAOYSA-N 0 3 319.452 3.461 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000185837307 534749249 /nfs/dbraw/zinc/74/92/49/534749249.db2.gz PBNRQDWBALJZAG-CMPLNLGQSA-N 0 3 313.232 3.472 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000449694426 534791693 /nfs/dbraw/zinc/79/16/93/534791693.db2.gz BQBWBOOKKILDKA-LBPRGKRZSA-N 0 3 321.314 3.184 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300529 534805774 /nfs/dbraw/zinc/80/57/74/534805774.db2.gz AQVZCAZIUMSBLC-LSDHHAIUSA-N 0 3 317.351 3.046 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000339084261 534864235 /nfs/dbraw/zinc/86/42/35/534864235.db2.gz IXTOCWZZJQKFKF-ZWKOPEQDSA-N 0 3 314.355 3.405 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1 ZINC000156642304 525553928 /nfs/dbraw/zinc/55/39/28/525553928.db2.gz OIDHNENAWDOTNX-WMLDXEAASA-N 0 3 324.403 3.412 20 30 DGEDHN C=CCOc1ccc(CN2CCN(C)[C@@H](C(C)C)C2)cc1OC ZINC000488539956 534883410 /nfs/dbraw/zinc/88/34/10/534883410.db2.gz VGLMUGSRNOIFIY-QGZVFWFLSA-N 0 3 318.461 3.032 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458909867 534885987 /nfs/dbraw/zinc/88/59/87/534885987.db2.gz YOVMYLYUVFEZCJ-CZUORRHYSA-N 0 3 321.490 3.275 20 30 DGEDHN CC#CCCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000185342687 526296770 /nfs/dbraw/zinc/29/67/70/526296770.db2.gz KGKUGKXANFTKQI-UHFFFAOYSA-N 0 3 318.486 3.270 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000185135397 526298825 /nfs/dbraw/zinc/29/88/25/526298825.db2.gz BTOOWABTWKBIQS-MRXNPFEDSA-N 0 3 306.475 3.441 20 30 DGEDHN CC#CCCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000185594500 526303583 /nfs/dbraw/zinc/30/35/83/526303583.db2.gz PJLQLVCXMWSRFL-UHFFFAOYSA-N 0 3 322.836 3.413 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)Nc1ccccc1CNC ZINC000415916465 526320150 /nfs/dbraw/zinc/32/01/50/526320150.db2.gz BPKVMBQAYXHBFL-UHFFFAOYSA-N 0 3 313.401 3.262 20 30 DGEDHN C=CCN(Cc1cc(C)c(OCC(=O)OC)c(C)c1)C1CC1 ZINC000350266935 526332430 /nfs/dbraw/zinc/33/24/30/526332430.db2.gz MWJQJCQPVIDLEX-UHFFFAOYSA-N 0 3 303.402 3.006 20 30 DGEDHN CC#CCCNCc1cc(Br)c2c(c1)OCCCO2 ZINC000166298778 526336731 /nfs/dbraw/zinc/33/67/31/526336731.db2.gz GPPIJZCZCNMZKM-UHFFFAOYSA-N 0 3 324.218 3.113 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CC)N(CC)CC ZINC000345981623 526339498 /nfs/dbraw/zinc/33/94/98/526339498.db2.gz ICZIBVKFZPKVKF-GOSISDBHSA-N 0 3 318.461 3.330 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)CNC2 ZINC000347542401 526340679 /nfs/dbraw/zinc/34/06/79/526340679.db2.gz WSPQKMXJKNDPJG-UHFFFAOYSA-N 0 3 322.408 3.127 20 30 DGEDHN C=CCN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155160958 526416197 /nfs/dbraw/zinc/41/61/97/526416197.db2.gz JMFLABBZCIDFKD-UHFFFAOYSA-N 0 3 323.234 3.286 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2ccc3ccccc3c2)CC1 ZINC000358819627 526435698 /nfs/dbraw/zinc/43/56/98/526435698.db2.gz RILPEJKBRIVJHP-UHFFFAOYSA-N 0 3 323.440 3.289 20 30 DGEDHN C=C(C)CCN1CCN(CCC(=C)C)[C@H](c2cnn(C)c2)C1 ZINC000351718921 526445463 /nfs/dbraw/zinc/44/54/63/526445463.db2.gz LNKXWDIPAXSIGB-SFHVURJKSA-N 0 3 302.466 3.011 20 30 DGEDHN C=CCN1CCC(Nc2nc(C)nc3scc(C)c32)CC1 ZINC000185381836 526454315 /nfs/dbraw/zinc/45/43/15/526454315.db2.gz RTXBSXGHXCOZJH-UHFFFAOYSA-N 0 3 302.447 3.370 20 30 DGEDHN C=C(C)CN(CC)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000355959889 526534478 /nfs/dbraw/zinc/53/44/78/526534478.db2.gz FUYNHEWHSVQYDI-UHFFFAOYSA-N 0 3 305.422 3.057 20 30 DGEDHN C=C(C)CN(CC)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429724454 526547717 /nfs/dbraw/zinc/54/77/17/526547717.db2.gz MLIJWJYVGTUHMR-LJQANCHMSA-N 0 3 302.462 3.176 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCSc2ccccc2)CC1 ZINC000357585229 526581855 /nfs/dbraw/zinc/58/18/55/526581855.db2.gz XAFMKAPCJGHRNF-UHFFFAOYSA-N 0 3 318.486 3.326 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2SC)CC1 ZINC000435693949 526601185 /nfs/dbraw/zinc/60/11/85/526601185.db2.gz WMLILCMIEZKAQZ-UHFFFAOYSA-N 0 3 322.449 3.318 20 30 DGEDHN C=C(C)COCCN[C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359332536 526658046 /nfs/dbraw/zinc/65/80/46/526658046.db2.gz OTIIRDZCOHSLMG-INIZCTEOSA-N 0 3 304.390 3.413 20 30 DGEDHN C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000338807279 526721729 /nfs/dbraw/zinc/72/17/29/526721729.db2.gz DUTLBGBQPYWMTD-MRXNPFEDSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCOCCCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000347964710 526751118 /nfs/dbraw/zinc/75/11/18/526751118.db2.gz KTSVTGLRISFFPO-UHFFFAOYSA-N 0 3 311.372 3.401 20 30 DGEDHN C=CCOCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353022313 526751147 /nfs/dbraw/zinc/75/11/47/526751147.db2.gz DVYXCVWMGRJRPQ-UHFFFAOYSA-N 0 3 318.392 3.133 20 30 DGEDHN C=C(C)[C@@H](NC[C@H](O)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000190009819 526756777 /nfs/dbraw/zinc/75/67/77/526756777.db2.gz SLNSGWYXEBYNMG-ZWNOBZJWSA-N 0 3 309.278 3.485 20 30 DGEDHN C=C(C)[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000360619074 526820989 /nfs/dbraw/zinc/82/09/89/526820989.db2.gz KRBNTHNSCGKTMY-DAYGRLMNSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)cccc1N1CCCC1 ZINC000435748136 526848159 /nfs/dbraw/zinc/84/81/59/526848159.db2.gz CTYPMEISNSWLRL-HNAYVOBHSA-N 0 3 318.436 3.497 20 30 DGEDHN C=C(CC)CN[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000341650159 526860662 /nfs/dbraw/zinc/86/06/62/526860662.db2.gz YBLVDUXZRXVQCS-MRXNPFEDSA-N 0 3 304.434 3.161 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H](C)N(CC)C[C@@H]2C)cc1OC ZINC000353803705 526872267 /nfs/dbraw/zinc/87/22/67/526872267.db2.gz LNUKGTARVWBGPV-CVEARBPZSA-N 0 3 318.461 3.175 20 30 DGEDHN C=CCOc1ccc(CNCCN2CC=CCC2)cc1Cl ZINC000355536850 526886074 /nfs/dbraw/zinc/88/60/74/526886074.db2.gz SWALGRFYXJILGY-UHFFFAOYSA-N 0 3 306.837 3.256 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000338049511 526917792 /nfs/dbraw/zinc/91/77/92/526917792.db2.gz GDGCXPNXDCIVFQ-ZNMIVQPWSA-N 0 3 302.418 3.451 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000183916924 526930271 /nfs/dbraw/zinc/93/02/71/526930271.db2.gz DINOUDRPRQZXLR-JXFKEZNVSA-N 0 3 324.468 3.162 20 30 DGEDHN C=CC1CCN(CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000348178050 526979345 /nfs/dbraw/zinc/97/93/45/526979345.db2.gz 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/nfs/dbraw/zinc/02/90/22/527029022.db2.gz ZOOLWAMPPZHAFF-AWEZNQCLSA-N 0 3 323.396 3.398 20 30 DGEDHN CC(C)(CCO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331341403 527051406 /nfs/dbraw/zinc/05/14/06/527051406.db2.gz KJEKOMOFPCQEOQ-UHFFFAOYSA-N 0 3 304.434 3.138 20 30 DGEDHN C=CCCCC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184283276 527111783 /nfs/dbraw/zinc/11/17/83/527111783.db2.gz RACSIPLZUQHCDW-UHFFFAOYSA-N 0 3 301.434 3.123 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357284302 527131861 /nfs/dbraw/zinc/13/18/61/527131861.db2.gz NMWRTBMRENWKDF-ZOBUZTSGSA-N 0 3 303.450 3.250 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000359689062 527153071 /nfs/dbraw/zinc/15/30/71/527153071.db2.gz SKWNQNXFJAMTLR-WBVHZDCISA-N 0 3 303.450 3.161 20 30 DGEDHN CC(=O)c1c(C)[nH]c(C(=O)NCC2=CCN(C)CC2)c1C(C)C ZINC000330699424 527155907 /nfs/dbraw/zinc/15/59/07/527155907.db2.gz XMQFKICRJCTMNE-UHFFFAOYSA-N 0 3 317.433 3.216 20 30 DGEDHN C=CCn1c(C(C)C)nnc1N1CCN(C2CCCCC2)CC1 ZINC000337771742 527291610 /nfs/dbraw/zinc/29/16/10/527291610.db2.gz DVCDCHZAFFDMKU-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCCN(C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000342730327 527321022 /nfs/dbraw/zinc/32/10/22/527321022.db2.gz JRBVWOSJROVARZ-UHFFFAOYSA-N 0 3 316.474 3.203 20 30 DGEDHN C=CCCN(C)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000342731122 527324363 /nfs/dbraw/zinc/32/43/63/527324363.db2.gz BBWVSEARRQSJSQ-HNNXBMFYSA-N 0 3 324.371 3.291 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000342855180 527330599 /nfs/dbraw/zinc/33/05/99/527330599.db2.gz VCGKPHLEZZDXBJ-SFHVURJKSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000354118328 527396345 /nfs/dbraw/zinc/39/63/45/527396345.db2.gz VVFAVFKDTFQKIX-JKSUJKDBSA-N 0 3 318.461 3.213 20 30 DGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000358303351 527416585 /nfs/dbraw/zinc/41/65/85/527416585.db2.gz QSPLKAFKSRLXQY-HUUCEWRRSA-N 0 3 322.474 3.086 20 30 DGEDHN C=CCC[C@@H](CCC)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337374037 527426375 /nfs/dbraw/zinc/42/63/75/527426375.db2.gz FOTPYRMXHQTGPD-CQSZACIVSA-N 0 3 313.438 3.454 20 30 DGEDHN C=CCC[C@@H](NCCC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000342227497 527447489 /nfs/dbraw/zinc/44/74/89/527447489.db2.gz RIZOOSLULGEBCJ-CQSZACIVSA-N 0 3 314.351 3.438 20 30 DGEDHN CC(C)(C#N)CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000347111355 527465537 /nfs/dbraw/zinc/46/55/37/527465537.db2.gz QNDCFPSUNAMITN-UHFFFAOYSA-N 0 3 300.450 3.339 20 30 DGEDHN C=CCC[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000353456737 527483940 /nfs/dbraw/zinc/48/39/40/527483940.db2.gz WTJUXVNAKYOFSN-ZACQAIPSSA-N 0 3 306.450 3.376 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000344086268 527519517 /nfs/dbraw/zinc/51/95/17/527519517.db2.gz GAUOXWHFFBROHN-IBGZPJMESA-N 0 3 315.461 3.359 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C)cc1Cl ZINC000429722407 527571837 /nfs/dbraw/zinc/57/18/37/527571837.db2.gz IILFFHYIZYDKCR-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441363265 527605380 /nfs/dbraw/zinc/60/53/80/527605380.db2.gz JDMAMLSSKSIGDA-LJQANCHMSA-N 0 3 314.473 3.449 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000442678599 527613074 /nfs/dbraw/zinc/61/30/74/527613074.db2.gz LYRCYDGAJTUEES-LJQANCHMSA-N 0 3 316.445 3.184 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)C1 ZINC000433060020 527626792 /nfs/dbraw/zinc/62/67/92/527626792.db2.gz FRIUHAHVUDOJMZ-MJGOQNOKSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(NC)s1)C(C)C ZINC000353455548 527646282 /nfs/dbraw/zinc/64/62/82/527646282.db2.gz YDAXYWQTIQHVJL-AWEZNQCLSA-N 0 3 321.490 3.218 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc[nH]c1CC)C(C)C ZINC000352861447 527647393 /nfs/dbraw/zinc/64/73/93/527647393.db2.gz JYUWACSELZSCNZ-KRWDZBQOSA-N 0 3 303.450 3.006 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ccnc2c1cnn2C)C(C)C ZINC000429197072 527650803 /nfs/dbraw/zinc/65/08/03/527650803.db2.gz NHBNWZZMHODWQL-QGZVFWFLSA-N 0 3 313.449 3.079 20 30 DGEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000444765061 527946638 /nfs/dbraw/zinc/94/66/38/527946638.db2.gz HYGWVPPNYSWAAD-KRWDZBQOSA-N 0 3 324.371 3.287 20 30 DGEDHN CCC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000181769956 528215950 /nfs/dbraw/zinc/21/59/50/528215950.db2.gz FKVRBPKIDQUHJT-RDJZCZTQSA-N 0 3 301.434 3.126 20 30 DGEDHN CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000185782917 528267124 /nfs/dbraw/zinc/26/71/24/528267124.db2.gz MBNCNBKIYLJJFO-SJLPKXTDSA-N 0 3 312.461 3.490 20 30 DGEDHN CC(C)Oc1cncc(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000330997588 528267330 /nfs/dbraw/zinc/26/73/30/528267330.db2.gz VDJWWGNPBWFDKB-UHFFFAOYSA-N 0 3 319.449 3.295 20 30 DGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000347121065 528543281 /nfs/dbraw/zinc/54/32/81/528543281.db2.gz YKKVZLUUPYBHLE-HUUCEWRRSA-N 0 3 324.428 3.483 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000444755780 528669178 /nfs/dbraw/zinc/66/91/78/528669178.db2.gz YSLSFHJDBOJQCA-SJLPKXTDSA-N 0 3 311.429 3.032 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1CCC(C)C ZINC000351668629 528692000 /nfs/dbraw/zinc/69/20/00/528692000.db2.gz BTRXZDHSKAHIDM-IAGOWNOFSA-N 0 3 307.482 3.285 20 30 DGEDHN CCCn1c(C(=O)C(C#N)c2ccncn2)cc2ccccc21 ZINC000345176227 528810556 /nfs/dbraw/zinc/81/05/56/528810556.db2.gz YQLLQYOHFPSQFL-AWEZNQCLSA-N 0 3 304.353 3.331 20 30 DGEDHN CC1(C)CCCN(CCNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000443964144 528937695 /nfs/dbraw/zinc/93/76/95/528937695.db2.gz VAQIZDWEVLTVMU-UHFFFAOYSA-N 0 3 302.378 3.000 20 30 DGEDHN CCN(C(=O)C(C)C#N)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000345647085 529051400 /nfs/dbraw/zinc/05/14/00/529051400.db2.gz SRROSWURUOINED-CRAIPNDOSA-N 0 3 307.397 3.488 20 30 DGEDHN CCC1(CC)[C@@H](NCc2cc(C#N)ccc2OC)C[C@@H]1OC ZINC000429308085 529093645 /nfs/dbraw/zinc/09/36/45/529093645.db2.gz QKXUAFAKGGDSTA-IRXDYDNUSA-N 0 3 302.418 3.250 20 30 DGEDHN CC(C)[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1 ZINC000337389593 529126087 /nfs/dbraw/zinc/12/60/87/529126087.db2.gz GYEQXULLORWFPH-CJNGLKHVSA-N 0 3 317.408 3.063 20 30 DGEDHN CCc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428783498 529169061 /nfs/dbraw/zinc/16/90/61/529169061.db2.gz RRVCNXJWCGRQFB-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(CCc2ccc(F)cc2)CC1 ZINC000184082848 529300629 /nfs/dbraw/zinc/30/06/29/529300629.db2.gz GSQWCSPTCSBEAZ-QGZVFWFLSA-N 0 3 303.425 3.114 20 30 DGEDHN CC[C@@H](C)CN(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000177851783 529318564 /nfs/dbraw/zinc/31/85/64/529318564.db2.gz QWQVIDBOJPILOU-MRXNPFEDSA-N 0 3 301.434 3.301 20 30 DGEDHN COc1cc(CN2CCC[C@@]3(CCSC3)C2)ccc1C#N ZINC000449733527 536754326 /nfs/dbraw/zinc/75/43/26/536754326.db2.gz OYOACMXSACZEJF-QGZVFWFLSA-N 0 3 302.443 3.286 20 30 DGEDHN C=CCSCCNCc1cc2c(cc1SC)OCCO2 ZINC000230655617 546274775 /nfs/dbraw/zinc/27/47/75/546274775.db2.gz VPDHMMMQJDZVQM-UHFFFAOYSA-N 0 3 311.472 3.189 20 30 DGEDHN C=CCN1CCC(Nc2ccc(OC(F)(F)F)cn2)CC1 ZINC000302577026 546436477 /nfs/dbraw/zinc/43/64/77/546436477.db2.gz RHRHMKOHDFSMOU-UHFFFAOYSA-N 0 3 301.312 3.043 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000328850446 546482054 /nfs/dbraw/zinc/48/20/54/546482054.db2.gz UPWNHHJHQANIME-CQSZACIVSA-N 0 3 304.438 3.034 20 30 DGEDHN Cc1nc(C2(NC(=O)CC3CCN(C)CC3)CCCCC2)no1 ZINC000329369169 546485698 /nfs/dbraw/zinc/48/56/98/546485698.db2.gz AJFWZRQBIRVRCV-UHFFFAOYSA-N 0 3 320.437 3.226 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000329954836 546494114 /nfs/dbraw/zinc/49/41/14/546494114.db2.gz NZKDXPZWKYQRER-UHFFFAOYSA-N 0 3 318.417 3.036 20 30 DGEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594426724 547032116 /nfs/dbraw/zinc/03/21/16/547032116.db2.gz GEXXCYQPZGBWMB-LSDHHAIUSA-N 0 3 307.825 3.319 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)c(C)cc2OC)CC1 ZINC000667553323 547222800 /nfs/dbraw/zinc/22/28/00/547222800.db2.gz MWHCSPLVOBXMSZ-UHFFFAOYSA-N 0 3 317.433 3.084 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)CC(F)(F)F)CC1 ZINC000668369917 547446337 /nfs/dbraw/zinc/44/63/37/547446337.db2.gz IIHFPBHDZWIOOS-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCC[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000668482799 547466367 /nfs/dbraw/zinc/46/63/67/547466367.db2.gz RNRLDFWCLBMNFM-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H]3COC[C@]3(C)C2)cc1Cl ZINC000668595276 547488987 /nfs/dbraw/zinc/48/89/87/547488987.db2.gz LFADXQQMDKMHEV-YOEHRIQHSA-N 0 3 307.821 3.373 20 30 DGEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCOC1 ZINC000674250847 548052010 /nfs/dbraw/zinc/05/20/10/548052010.db2.gz HWRFJDOLQICMGF-HNNXBMFYSA-N 0 3 311.347 3.415 20 30 DGEDHN C=C[C@@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674981217 548144395 /nfs/dbraw/zinc/14/43/95/548144395.db2.gz VFNRXUDLPJRIGF-WBVHZDCISA-N 0 3 301.434 3.087 20 30 DGEDHN C=CC[C@@H](CO)CNCc1c(Cl)cccc1OC(F)F ZINC000678732263 548753592 /nfs/dbraw/zinc/75/35/92/548753592.db2.gz JUYOHZQPNFJOAO-SNVBAGLBSA-N 0 3 305.752 3.216 20 30 DGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000678733570 548755015 /nfs/dbraw/zinc/75/50/15/548755015.db2.gz NFTFFHBHFALDKV-MFKMUULPSA-N 0 3 314.223 3.045 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678783145 548763090 /nfs/dbraw/zinc/76/30/90/548763090.db2.gz MQWOJDOTIOSQEX-LSDHHAIUSA-N 0 3 317.351 3.310 20 30 DGEDHN C=CCOCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000679576780 548919981 /nfs/dbraw/zinc/91/99/81/548919981.db2.gz TWVJDCRCOMZARX-AWEZNQCLSA-N 0 3 301.308 3.365 20 30 DGEDHN C=CCOc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000680332732 549030876 /nfs/dbraw/zinc/03/08/76/549030876.db2.gz AOIQSYLKHIYWBG-SFHVURJKSA-N 0 3 301.430 3.500 20 30 DGEDHN C=CC[C@@H](CO)NCc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC000680485220 549059455 /nfs/dbraw/zinc/05/94/55/549059455.db2.gz VPOYSGKPBXBRPJ-YOEHRIQHSA-N 0 3 308.441 3.335 20 30 DGEDHN N#CC(C(=O)c1cccc(Oc2nccs2)c1)c1ccncn1 ZINC000680617638 549076010 /nfs/dbraw/zinc/07/60/10/549076010.db2.gz XZVZPKAAGHVXRX-CYBMUJFWSA-N 0 3 322.349 3.215 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000681726633 549246884 /nfs/dbraw/zinc/24/68/84/549246884.db2.gz FIHOBVCEDVEXPY-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN C(#Cc1ccccc1)CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000683004847 549413828 /nfs/dbraw/zinc/41/38/28/549413828.db2.gz LLNYCJOUYLBPJI-PMACEKPBSA-N 0 3 302.421 3.106 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC(C)(C)C(F)F)C(C)C ZINC000684253815 549604241 /nfs/dbraw/zinc/60/42/41/549604241.db2.gz UIDNRGCDBOKHAP-CYBMUJFWSA-N 0 3 317.424 3.028 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncccc1C(F)(F)F ZINC000684767199 549690180 /nfs/dbraw/zinc/69/01/80/549690180.db2.gz CWQANFXVSWWDBR-FZMZJTMJSA-N 0 3 300.324 3.171 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1=O ZINC000685002245 549732679 /nfs/dbraw/zinc/73/26/79/549732679.db2.gz CUPZWKOFEVMDDO-APWZRJJASA-N 0 3 323.440 3.134 20 30 DGEDHN COCC#CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000685598148 549779927 /nfs/dbraw/zinc/77/99/27/549779927.db2.gz BLWANFQKUMPOOI-HXUWFJFHSA-N 0 3 309.409 3.218 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=S)NC1CCN(C)CC1 ZINC000732625983 574576965 /nfs/dbraw/zinc/57/69/65/574576965.db2.gz XCABJONPHVMBMV-UHFFFAOYSA-N 0 3 309.523 3.023 20 30 DGEDHN C#CCOc1ccc(CNC[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000733325222 574615721 /nfs/dbraw/zinc/61/57/21/574615721.db2.gz FJPNUHBGBLRJQH-GOSISDBHSA-N 0 3 315.800 3.175 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)COc2cccc(F)c2)cc1 ZINC000733325385 574615830 /nfs/dbraw/zinc/61/58/30/574615830.db2.gz KZQIEWJDKHAUJV-HNNXBMFYSA-N 0 3 313.372 3.395 20 30 DGEDHN C#CCOc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000733328713 574616443 /nfs/dbraw/zinc/61/64/43/574616443.db2.gz ZJHIKEGIDFPFLW-UHFFFAOYSA-N 0 3 322.408 3.206 20 30 DGEDHN CCOCCCN1CCC(=NOCc2ccccc2)[C@H](C)C1 ZINC000735226805 574691768 /nfs/dbraw/zinc/69/17/68/574691768.db2.gz AURYPEDCTGLVHJ-MRXNPFEDSA-N 0 3 304.434 3.328 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000735205227 574692082 /nfs/dbraw/zinc/69/20/82/574692082.db2.gz BBONKSPTABRQPL-BCRSCGJKSA-N 0 3 300.358 3.089 20 30 DGEDHN C=CCCCOC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000735530968 574705449 /nfs/dbraw/zinc/70/54/49/574705449.db2.gz SOWVABRVMUDAQV-AWEZNQCLSA-N 0 3 307.777 3.202 20 30 DGEDHN C=CCc1cc(OCC)cc(CN2CCSC[C@@H]2C)c1O ZINC000738275855 574863960 /nfs/dbraw/zinc/86/39/60/574863960.db2.gz BODIJKYHIBPZSF-ZDUSSCGKSA-N 0 3 307.459 3.457 20 30 DGEDHN C=CCN(C(=O)Nc1ccc(C)cc1OCCN(C)C)C(C)C ZINC000738955501 574887283 /nfs/dbraw/zinc/88/72/83/574887283.db2.gz RDKDOTBOACEQOY-UHFFFAOYSA-N 0 3 319.449 3.364 20 30 DGEDHN C#Cc1cccc(NC(=S)N(C)[C@H]2CCN(CC)[C@H](C)C2)c1 ZINC000740638742 574938241 /nfs/dbraw/zinc/93/82/41/574938241.db2.gz YJELNAHGTUNVMV-PBHICJAKSA-N 0 3 315.486 3.169 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2occc2-c2ccccc2)CC1 ZINC000740737802 574941033 /nfs/dbraw/zinc/94/10/33/574941033.db2.gz XPZNEPAMJGHHTQ-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN C=CCN(CCOc1ccc2c(C)cc(=O)oc2c1)C(C)C ZINC000740875358 574944431 /nfs/dbraw/zinc/94/44/31/574944431.db2.gz VQBFEVACICYDMQ-UHFFFAOYSA-N 0 3 301.386 3.377 20 30 DGEDHN C[C@H]1CC(=NNC(=S)Nc2cccc(Cl)c2)CCN1C ZINC000741458756 574958438 /nfs/dbraw/zinc/95/84/38/574958438.db2.gz XXWKTEJEDPXOCK-JTQLQIEISA-N 0 3 310.854 3.097 20 30 DGEDHN COc1ccc(CNC2(c3ccccc3)CCOCC2)cc1C#N ZINC000742372581 574993427 /nfs/dbraw/zinc/99/34/27/574993427.db2.gz DUUNIJASELPCDE-UHFFFAOYSA-N 0 3 322.408 3.362 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000742707005 575014228 /nfs/dbraw/zinc/01/42/28/575014228.db2.gz SZXGBIGTSRCNFZ-CZUORRHYSA-N 0 3 304.409 3.031 20 30 DGEDHN N#Cc1ccc(OCCCN2CCOC3(CCCCC3)C2)cc1 ZINC000743852542 575065202 /nfs/dbraw/zinc/06/52/02/575065202.db2.gz PDSGOJPPVPAKRH-UHFFFAOYSA-N 0 3 314.429 3.362 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1 ZINC000744022421 575068720 /nfs/dbraw/zinc/06/87/20/575068720.db2.gz OXQXTQYWWIMQMH-KGLIPLIRSA-N 0 3 304.390 3.097 20 30 DGEDHN N#CC(C(=O)CCC(F)(F)F)C(=O)Nc1ccccc1Cl ZINC000744027934 575069070 /nfs/dbraw/zinc/06/90/70/575069070.db2.gz FFYSMSORAVKRQJ-QMMMGPOBSA-N 0 3 318.682 3.330 20 30 DGEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000744028790 575069237 /nfs/dbraw/zinc/06/92/37/575069237.db2.gz MLIABGAPPMJYAU-UKRRQHHQSA-N 0 3 310.353 3.348 20 30 DGEDHN C#CCCCOC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000744049921 575069818 /nfs/dbraw/zinc/06/98/18/575069818.db2.gz WSSGRHCIWYEOHU-KRWDZBQOSA-N 0 3 313.397 3.120 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CC[C@@H](C)O3)nc21 ZINC000744159750 575075430 /nfs/dbraw/zinc/07/54/30/575075430.db2.gz DUTBGLLXONOXBV-MGPQQGTHSA-N 0 3 311.385 3.395 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CC[C@@H](C)O3)[nH]c21 ZINC000744159750 575075432 /nfs/dbraw/zinc/07/54/32/575075432.db2.gz DUTBGLLXONOXBV-MGPQQGTHSA-N 0 3 311.385 3.395 20 30 DGEDHN [O-]c1ccc(Cl)cc1/C=N\CC1([NH+]2CCCC2)CCOCC1 ZINC000729641498 575258092 /nfs/dbraw/zinc/25/80/92/575258092.db2.gz KILPGGVGYWBCDK-UNOMPAQXSA-N 0 3 322.836 3.110 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(C)c2)CC1 ZINC000729942398 575267602 /nfs/dbraw/zinc/26/76/02/575267602.db2.gz MVBFQYVTCPKTBZ-UHFFFAOYSA-N 0 3 303.475 3.322 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2CCCCCCC2)CC1 ZINC000730121452 575275340 /nfs/dbraw/zinc/27/53/40/575275340.db2.gz PSQDRHTZKYAUTL-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN CC[C@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000744937439 575365579 /nfs/dbraw/zinc/36/55/79/575365579.db2.gz DSHNNKHQORDSMW-SKDRFNHKSA-N 0 3 307.300 3.033 20 30 DGEDHN C=C(C)CNC(=S)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746395899 575450255 /nfs/dbraw/zinc/45/02/55/575450255.db2.gz BEJANSYSLIERCO-QGZVFWFLSA-N 0 3 317.502 3.033 20 30 DGEDHN CC(C)[C@@H]1CN(C)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000746461716 575453931 /nfs/dbraw/zinc/45/39/31/575453931.db2.gz FUZBIIZIWLIVBO-INIZCTEOSA-N 0 3 321.852 3.014 20 30 DGEDHN CN1CCC(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000746636667 575465513 /nfs/dbraw/zinc/46/55/13/575465513.db2.gz FAJJYYFGMCZGDS-UHFFFAOYSA-N 0 3 318.420 3.367 20 30 DGEDHN COc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1C#N ZINC000746742160 575472927 /nfs/dbraw/zinc/47/29/27/575472927.db2.gz QDFBKBATLUCDRE-CQSZACIVSA-N 0 3 321.380 3.148 20 30 DGEDHN COc1ccc(CNCc2ccc3cccnc3c2)cc1C#N ZINC000746733884 575472961 /nfs/dbraw/zinc/47/29/61/575472961.db2.gz KPLBZXYSFBBGTR-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN Cc1ccccc1[C@H](CO)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000747100152 575496368 /nfs/dbraw/zinc/49/63/68/575496368.db2.gz BDQOPMDQIYXKOQ-BEFAXECRSA-N 0 3 310.397 3.109 20 30 DGEDHN CN(C)Cc1ccc(C(N)=NOC/C=C/c2ccccc2)cc1 ZINC000747838749 575545693 /nfs/dbraw/zinc/54/56/93/575545693.db2.gz JBRZNFSDULYVAF-RMKNXTFCSA-N 0 3 309.413 3.099 20 30 DGEDHN C=CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000748285489 575578264 /nfs/dbraw/zinc/57/82/64/575578264.db2.gz ITZRABLPUUHYAO-UHFFFAOYSA-N 0 3 301.434 3.123 20 30 DGEDHN CCOc1ccc(/C=N\C2CCC(C[NH+](C)C)CC2)c([O-])c1 ZINC000749582949 575666313 /nfs/dbraw/zinc/66/63/13/575666313.db2.gz UCYRLTJQWVHZRT-UNOMPAQXSA-N 0 3 304.434 3.330 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000750028068 575698529 /nfs/dbraw/zinc/69/85/29/575698529.db2.gz UWGQPJAEWXHIRU-LBPRGKRZSA-N 0 3 324.877 3.109 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000750880742 575757539 /nfs/dbraw/zinc/75/75/39/575757539.db2.gz WNRODNOICMIDOR-BEFAXECRSA-N 0 3 312.457 3.064 20 30 DGEDHN COc1ccc(NN=Cc2sc(N(C)C)nc2Cl)cc1 ZINC000750923072 575762027 /nfs/dbraw/zinc/76/20/27/575762027.db2.gz UKIIWAJNGPUISJ-UHFFFAOYSA-N 0 3 310.810 3.317 20 30 DGEDHN C=C(C)CNC(=S)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000751041058 575769082 /nfs/dbraw/zinc/76/90/82/575769082.db2.gz XAMZTWBJTGFFRW-WBVHZDCISA-N 0 3 317.502 3.080 20 30 DGEDHN C=CCCOCC(=O)OC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000751176395 575774411 /nfs/dbraw/zinc/77/44/11/575774411.db2.gz QWODUFJYQMNNLD-LJQANCHMSA-N 0 3 317.429 3.177 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@@H]1COC ZINC000751946953 575813823 /nfs/dbraw/zinc/81/38/23/575813823.db2.gz LOGYFDHDRBPBAQ-CQSZACIVSA-N 0 3 317.458 3.383 20 30 DGEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000752301193 575831590 /nfs/dbraw/zinc/83/15/90/575831590.db2.gz NHUHVXUKIROEJQ-UPJWGTAASA-N 0 3 313.426 3.060 20 30 DGEDHN CCCCCCCOc1cccc(CN[C@@H]2CC(=O)N(C)C2)c1 ZINC000726797754 576042417 /nfs/dbraw/zinc/04/24/17/576042417.db2.gz WGKHISJPIPCBPT-QGZVFWFLSA-N 0 3 318.461 3.356 20 30 DGEDHN CC[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000727833003 576147998 /nfs/dbraw/zinc/14/79/98/576147998.db2.gz ICFXMSNTYJWAFC-QWHCGFSZSA-N 0 3 313.426 3.347 20 30 DGEDHN C#CCNC(=O)CN(Cc1cccc2ccccc21)C1CCCC1 ZINC000728055952 576160812 /nfs/dbraw/zinc/16/08/12/576160812.db2.gz SNENDMDUFKQGOG-UHFFFAOYSA-N 0 3 320.436 3.334 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCCn2cnc3ccccc32)cc1 ZINC000728711904 576197289 /nfs/dbraw/zinc/19/72/89/576197289.db2.gz OGLFPPJGKHJICO-HNNXBMFYSA-N 0 3 320.396 3.117 20 30 DGEDHN C=CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000917168559 620659095 /nfs/dbraw/zinc/65/90/95/620659095.db2.gz WAQZHZSZBDVZIP-ZDUSSCGKSA-N 0 3 313.426 3.369 20 30 DGEDHN C=CCN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H](C)COC ZINC000853532835 620707065 /nfs/dbraw/zinc/70/70/65/620707065.db2.gz NJNWUGPAMSIVPL-ZDUSSCGKSA-N 0 3 307.434 3.418 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](c2ccccc2C)CC1=O ZINC000853597790 620714429 /nfs/dbraw/zinc/71/44/29/620714429.db2.gz FOUMYVWGYHCWIO-OKZBNKHCSA-N 0 3 310.441 3.451 20 30 DGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000892503558 618085181 /nfs/dbraw/zinc/08/51/81/618085181.db2.gz LLMBOYGTGDOZOA-INIZCTEOSA-N 0 3 312.369 3.089 20 30 DGEDHN CC(C)CN(CCC#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891465962 617807478 /nfs/dbraw/zinc/80/74/78/617807478.db2.gz XUODQTMHMVULIA-GASCZTMLSA-N 0 3 309.454 3.161 20 30 DGEDHN COc1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000892457883 618070655 /nfs/dbraw/zinc/07/06/55/618070655.db2.gz PUUIMNBLDJECHZ-UHFFFAOYSA-N 0 3 302.399 3.183 20 30 DGEDHN CCC/C(C)=C\C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000920222933 620791817 /nfs/dbraw/zinc/79/18/17/620791817.db2.gz ZQFCJPYXXDFFBL-SSZFMOIBSA-N 0 3 313.445 3.195 20 30 DGEDHN COc1ccc(CNCc2cc(C)nc3c2CCCC3)cc1C#N ZINC000893195315 618470999 /nfs/dbraw/zinc/47/09/99/618470999.db2.gz XSABZZNMWFSPOG-UHFFFAOYSA-N 0 3 321.424 3.439 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@](C)(CNCC2(C#N)CCC2)C1 ZINC000894968139 618504343 /nfs/dbraw/zinc/50/43/43/618504343.db2.gz ZSKSEDZKBKJXOR-QGZVFWFLSA-N 0 3 321.465 3.307 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000925649180 618519984 /nfs/dbraw/zinc/51/99/84/618519984.db2.gz BQRCVDZVJVWQCX-HIFRSBDPSA-N 0 3 317.408 3.239 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000925739377 618591385 /nfs/dbraw/zinc/59/13/85/618591385.db2.gz WVXSROXMNPZOQN-INIZCTEOSA-N 0 3 314.477 3.174 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000788857621 625282209 /nfs/dbraw/zinc/28/22/09/625282209.db2.gz WMHQUYZVNVCABP-ILXRZTDVSA-N 0 3 309.454 3.256 20 30 DGEDHN COc1ccc(CNCc2cccc3c2NCCC3)cc1C#N ZINC000894358284 618771287 /nfs/dbraw/zinc/77/12/87/618771287.db2.gz HBFYPMRIYGWSBN-UHFFFAOYSA-N 0 3 307.397 3.215 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCC2(C#N)CCCCC2)C1 ZINC000895402827 618779227 /nfs/dbraw/zinc/77/92/27/618779227.db2.gz IIWSUTAQEFYPHA-GASCZTMLSA-N 0 3 321.465 3.353 20 30 DGEDHN N#CC1(c2ccc(CN3CC(CC4CCOCC4)C3)cc2)CC1 ZINC000895616447 618807180 /nfs/dbraw/zinc/80/71/80/618807180.db2.gz SFBBIFPYIVTFSD-UHFFFAOYSA-N 0 3 310.441 3.490 20 30 DGEDHN C#CC1(NCc2ccc(OC(=O)C3CC3)c(OC)c2)CCCC1 ZINC000895675473 618814583 /nfs/dbraw/zinc/81/45/83/618814583.db2.gz QJUKZOWHLSSGKG-UHFFFAOYSA-N 0 3 313.397 3.046 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(OCCC)c(C)c2)CC1 ZINC000895669473 618815917 /nfs/dbraw/zinc/81/59/17/618815917.db2.gz ATQXILMNQWGGOH-UHFFFAOYSA-N 0 3 301.430 3.134 20 30 DGEDHN C=CCC1(O)CCN(Cc2cnc3c(F)cccc3c2)CC1 ZINC000895826865 618834019 /nfs/dbraw/zinc/83/40/19/618834019.db2.gz ARGLBJQCJLGWGG-UHFFFAOYSA-N 0 3 300.377 3.277 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccccc2OCC(F)F)CC1 ZINC000895828677 618838685 /nfs/dbraw/zinc/83/86/85/618838685.db2.gz WNWCUDLKDHQKCL-UHFFFAOYSA-N 0 3 311.372 3.234 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896925764 618986897 /nfs/dbraw/zinc/98/68/97/618986897.db2.gz PDHQEUJJUBQHHN-DOTOQJQBSA-N 0 3 311.429 3.028 20 30 DGEDHN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)cc2cccnc12 ZINC000897602197 619165655 /nfs/dbraw/zinc/16/56/55/619165655.db2.gz IRPGEVYKMYHFQV-UHFFFAOYSA-N 0 3 322.408 3.381 20 30 DGEDHN COC(=O)CCC[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000897630100 619169160 /nfs/dbraw/zinc/16/91/60/619169160.db2.gz RBUIZVZCDQVQDL-CHWSQXEVSA-N 0 3 321.446 3.006 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897650760 619171252 /nfs/dbraw/zinc/17/12/52/619171252.db2.gz OBKUZYKMJYTANF-WBVHZDCISA-N 0 3 304.434 3.205 20 30 DGEDHN CCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898158503 619219032 /nfs/dbraw/zinc/21/90/32/619219032.db2.gz XQZBGHVXBFCCOF-HUUCEWRRSA-N 0 3 306.454 3.100 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927066331 619261632 /nfs/dbraw/zinc/26/16/32/619261632.db2.gz BHBWMZMXGVNDJN-DNVCBOLYSA-N 0 3 311.429 3.480 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927066338 619261687 /nfs/dbraw/zinc/26/16/87/619261687.db2.gz BHBWMZMXGVNDJN-KXBFYZLASA-N 0 3 311.429 3.480 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899047589 619309468 /nfs/dbraw/zinc/30/94/68/619309468.db2.gz ACRZKAAXQHIUBF-MRXNPFEDSA-N 0 3 320.824 3.252 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cnn(CCF)c2)c([O-])c1 ZINC000899230108 619320205 /nfs/dbraw/zinc/32/02/05/619320205.db2.gz DDMJPMGWANBVTR-XDHOZWIPSA-N 0 3 318.396 3.024 20 30 DGEDHN CC[C@H](C#N)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900836219 619456730 /nfs/dbraw/zinc/45/67/30/619456730.db2.gz PNZLOZDINQSRRZ-MRXNPFEDSA-N 0 3 321.424 3.032 20 30 DGEDHN C[C@H](C#N)CN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000901200142 619477245 /nfs/dbraw/zinc/47/72/45/619477245.db2.gz MLVXABPQNBGRIW-CYBMUJFWSA-N 0 3 310.401 3.055 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000901678148 619532513 /nfs/dbraw/zinc/53/25/13/619532513.db2.gz BZBPEDRTHOMAAJ-BHYGNILZSA-N 0 3 308.466 3.039 20 30 DGEDHN C=CCCCN(CC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902669327 619662718 /nfs/dbraw/zinc/66/27/18/619662718.db2.gz KRROOBIHLFPZED-UHFFFAOYSA-N 0 3 315.377 3.099 20 30 DGEDHN C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1cc(C#N)ccn1 ZINC000902720756 619665774 /nfs/dbraw/zinc/66/57/74/619665774.db2.gz NVROBHXWBSBEPD-WMLDXEAASA-N 0 3 310.401 3.034 20 30 DGEDHN C[C@@H](NC[C@H](c1cccc(F)c1)N(C)C)c1cc(C#N)ccn1 ZINC000902721287 619665782 /nfs/dbraw/zinc/66/57/82/619665782.db2.gz UXHZVZBNXPLFKB-FZKQIMNGSA-N 0 3 312.392 3.046 20 30 DGEDHN Cc1ccc([C@H](CN[C@H](C)c2cc(C#N)ccn2)N2CCCC2)o1 ZINC000902783604 619675103 /nfs/dbraw/zinc/67/51/03/619675103.db2.gz GMJONFWIXRCKLO-QAPCUYQASA-N 0 3 324.428 3.342 20 30 DGEDHN COc1ccccc1C1(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902783919 619675189 /nfs/dbraw/zinc/67/51/89/619675189.db2.gz KNADGHZYRVUAOS-CQSZACIVSA-N 0 3 307.397 3.344 20 30 DGEDHN COc1ccccc1OCCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902791662 619677026 /nfs/dbraw/zinc/67/70/26/619677026.db2.gz WWKWMXADBSNNPI-CQSZACIVSA-N 0 3 311.385 3.082 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902889353 619688932 /nfs/dbraw/zinc/68/89/32/619688932.db2.gz IDUUBNMJTXZODQ-GOEBONIOSA-N 0 3 324.403 3.412 20 30 DGEDHN CC(C)[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)c1ccccc1 ZINC000902976337 619698361 /nfs/dbraw/zinc/69/83/61/619698361.db2.gz PCNOJTFPINYCGT-KYNGSXCRSA-N 0 3 309.413 3.362 20 30 DGEDHN CC[C@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1cccc(C#N)c1 ZINC000903047555 619710285 /nfs/dbraw/zinc/71/02/85/619710285.db2.gz PRSLYNVCAGCBST-ROUUACIJSA-N 0 3 319.408 3.187 20 30 DGEDHN C[C@H](NC[C@]1(O)CCCC(C)(C)CC1)c1cc(C#N)ccn1 ZINC000903073157 619715392 /nfs/dbraw/zinc/71/53/92/619715392.db2.gz NXKIGGBNXIEMFV-KSSFIOAISA-N 0 3 301.434 3.325 20 30 DGEDHN CC[C@H](NCC(C)(C)C#N)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000903101588 619716724 /nfs/dbraw/zinc/71/67/24/619716724.db2.gz JLUNTPVTVZIMAM-UONOGXRCSA-N 0 3 309.454 3.304 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000903312014 619758005 /nfs/dbraw/zinc/75/80/05/619758005.db2.gz XFJGTKNZNWTOHH-KZULUSFZSA-N 0 3 316.351 3.395 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NC2CN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000903345149 619760821 /nfs/dbraw/zinc/76/08/21/619760821.db2.gz DBMQWXFICWIGRD-DGCLKSJQSA-N 0 3 309.335 3.176 20 30 DGEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)c(OC(F)F)cc1C ZINC000905079892 619968090 /nfs/dbraw/zinc/96/80/90/619968090.db2.gz GNUAJXFZFGOUPX-OGGBREFQSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C\c2ccccc2OC2CCCC2)C(=O)c2ncnn21 ZINC000905080890 619968271 /nfs/dbraw/zinc/96/82/71/619968271.db2.gz NBPAWTZJJCMLTL-JXCQQFQQSA-N 0 3 309.369 3.440 20 30 DGEDHN CC1/C(=C\c2cccc(OCC(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083127 619968425 /nfs/dbraw/zinc/96/84/25/619968425.db2.gz ZESHXAGHQYSMCS-DAVUEJTQSA-N 0 3 323.274 3.060 20 30 DGEDHN CC1/C(=C\c2ccc(CC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905087821 619969009 /nfs/dbraw/zinc/96/90/09/619969009.db2.gz ZRIXBHWIRMMADQ-TZZQWBKVSA-N 0 3 307.275 3.224 20 30 DGEDHN N#CCCCCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000805883832 625402565 /nfs/dbraw/zinc/40/25/65/625402565.db2.gz CEHOPGOPMLUBKZ-KRWDZBQOSA-N 0 3 300.402 3.278 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000912112984 620366042 /nfs/dbraw/zinc/36/60/42/620366042.db2.gz KGBMKTPVHLHAJT-QZTJIDSGSA-N 0 3 316.445 3.432 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000912249287 620376344 /nfs/dbraw/zinc/37/63/44/620376344.db2.gz MCROHFPOHMIUHB-CYBMUJFWSA-N 0 3 318.314 3.144 20 30 DGEDHN CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000913666163 620469500 /nfs/dbraw/zinc/46/95/00/620469500.db2.gz UQAVFAMXJDQIOO-GDBMZVCRSA-N 0 3 310.401 3.055 20 30 DGEDHN CN(C)c1ccc(C=NNCc2cccc3cccnc32)cc1 ZINC000915961947 620611569 /nfs/dbraw/zinc/61/15/69/620611569.db2.gz FPXPACKPYURYJR-UHFFFAOYSA-N 0 3 304.397 3.425 20 30 DGEDHN C#CCN(C)CCCNC(=S)Nc1cccc(C(C)C)c1 ZINC000840758412 620862191 /nfs/dbraw/zinc/86/21/91/620862191.db2.gz QJVKGWQRAYMHPU-UHFFFAOYSA-N 0 3 303.475 3.052 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCCOCC2CC2)c1 ZINC000921508704 620877444 /nfs/dbraw/zinc/87/74/44/620877444.db2.gz NTUVYNGGFACBFR-UHFFFAOYSA-N 0 3 323.234 3.227 20 30 DGEDHN C[C@H]1Cc2cc(CNCc3ccc(OCC#N)cc3)ccc2O1 ZINC000921694149 620935883 /nfs/dbraw/zinc/93/58/83/620935883.db2.gz RCRFOSYZWZTLHM-AWEZNQCLSA-N 0 3 308.381 3.202 20 30 DGEDHN N#Cc1cc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)cs1 ZINC000921703764 620937459 /nfs/dbraw/zinc/93/74/59/620937459.db2.gz ABDLSHGXGIRTII-CYBMUJFWSA-N 0 3 319.380 3.266 20 30 DGEDHN COc1ccccc1O[C@@H](C)CNCc1csc(C#N)c1 ZINC000921793686 620950895 /nfs/dbraw/zinc/95/08/95/620950895.db2.gz LWCBQOLGKQKJBR-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN C=CCSCCN[C@@H](C)c1cccc(Br)n1 ZINC000925351226 620996728 /nfs/dbraw/zinc/99/67/28/620996728.db2.gz KUVQZTHVUPDLMD-JTQLQIEISA-N 0 3 301.253 3.414 20 30 DGEDHN CO[C@@H]([C@@H](C)NCc1cc(C#N)ccc1Br)C1CC1 ZINC000922166687 620999495 /nfs/dbraw/zinc/99/94/95/620999495.db2.gz SGMVKNYGTFTPQM-BMIGLBTASA-N 0 3 323.234 3.224 20 30 DGEDHN N#Cc1cc(Cl)cc(COC(=O)C2CCN(C3CC3)CC2)c1 ZINC000922709905 621087219 /nfs/dbraw/zinc/08/72/19/621087219.db2.gz VCLJRCUFUGFFNZ-UHFFFAOYSA-N 0 3 318.804 3.129 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC000115902649 621158027 /nfs/dbraw/zinc/15/80/27/621158027.db2.gz XLERJKGEBHIKJD-WBVHZDCISA-N 0 3 312.413 3.122 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(C)c(F)cc1Br ZINC000858174876 621161559 /nfs/dbraw/zinc/16/15/59/621161559.db2.gz XHCPVXARKIJZGQ-GFCCVEGCSA-N 0 3 316.214 3.313 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CCCOC1 ZINC000858207380 621164697 /nfs/dbraw/zinc/16/46/97/621164697.db2.gz PLVAUNHPVJGPRE-AWEZNQCLSA-N 0 3 307.821 3.258 20 30 DGEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000858334639 621177069 /nfs/dbraw/zinc/17/70/69/621177069.db2.gz DJNILDAXOXORBI-HNNXBMFYSA-N 0 3 300.427 3.246 20 30 DGEDHN C#CC[C@@H](COC)NCc1cc2cc(Br)ccc2o1 ZINC000858334790 621177592 /nfs/dbraw/zinc/17/75/92/621177592.db2.gz RSJDGHVIADDWJM-ZDUSSCGKSA-N 0 3 322.202 3.323 20 30 DGEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000116593367 621255652 /nfs/dbraw/zinc/25/56/52/621255652.db2.gz IVNMOYNWKSDEEI-WMLDXEAASA-N 0 3 312.413 3.256 20 30 DGEDHN N#Cc1cccc(COC(=O)C2CN(C3CCCCC3)C2)c1F ZINC000838464453 621256923 /nfs/dbraw/zinc/25/69/23/621256923.db2.gz ZVKDWVCTGFKKSQ-UHFFFAOYSA-N 0 3 316.376 3.005 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000838786552 621280619 /nfs/dbraw/zinc/28/06/19/621280619.db2.gz IJEACEXTKBOTLW-GXFFZTMASA-N 0 3 324.327 3.024 20 30 DGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000838786551 621280637 /nfs/dbraw/zinc/28/06/37/621280637.db2.gz IJEACEXTKBOTLW-GWCFXTLKSA-N 0 3 324.327 3.024 20 30 DGEDHN CCC(C)(C)OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000838785168 621280650 /nfs/dbraw/zinc/28/06/50/621280650.db2.gz CSVOYRHOJHAXGV-ZDUSSCGKSA-N 0 3 322.792 3.193 20 30 DGEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C ZINC000859533578 621287676 /nfs/dbraw/zinc/28/76/76/621287676.db2.gz PHHCRMZWFGZYPQ-UHFFFAOYSA-N 0 3 317.433 3.213 20 30 DGEDHN CCCCCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000859750650 621317876 /nfs/dbraw/zinc/31/78/76/621317876.db2.gz SLWSSLVNTCAGTK-UHFFFAOYSA-N 0 3 305.422 3.261 20 30 DGEDHN C#C[C@@H](NCc1ccccc1N1CCO[C@H](C)C1)C(C)(C)C ZINC000839105624 621329980 /nfs/dbraw/zinc/32/99/80/621329980.db2.gz YGWRWLKGKBJMCJ-CRAIPNDOSA-N 0 3 300.446 3.049 20 30 DGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NC(C)C)c1cccc(Cl)c1 ZINC000860472804 621409001 /nfs/dbraw/zinc/40/90/01/621409001.db2.gz OURZECVFOIGWIY-HUUCEWRRSA-N 0 3 320.820 3.457 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CC(F)(F)C1 ZINC000753802924 621465536 /nfs/dbraw/zinc/46/55/36/621465536.db2.gz ROWRRHNTZOSBBI-LLVKDONJSA-N 0 3 312.703 3.033 20 30 DGEDHN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)C(C#N)C(=O)NC(C)C ZINC000753912393 621471218 /nfs/dbraw/zinc/47/12/18/621471218.db2.gz CLGMRPBVJDNVRK-IIAWOOMASA-N 0 3 312.413 3.209 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000754665095 621523068 /nfs/dbraw/zinc/52/30/68/621523068.db2.gz UZZPWNCZRBPCMU-XEZPLFJOSA-N 0 3 307.463 3.150 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861719423 621534571 /nfs/dbraw/zinc/53/45/71/621534571.db2.gz HYXAJIUFYHVDKJ-OKZBNKHCSA-N 0 3 324.509 3.041 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1cccc(C#N)c1F ZINC000754872294 621538880 /nfs/dbraw/zinc/53/88/80/621538880.db2.gz KMFCEVBBZIKLPW-UHFFFAOYSA-N 0 3 318.392 3.394 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2ccc(OC)cc2Br)C1 ZINC000862447800 621591528 /nfs/dbraw/zinc/59/15/28/621591528.db2.gz RJGDQDJUWVKABE-GFCCVEGCSA-N 0 3 308.219 3.303 20 30 DGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000755888323 621600272 /nfs/dbraw/zinc/60/02/72/621600272.db2.gz DXQOCBLGKQVEMQ-SNVBAGLBSA-N 0 3 322.334 3.459 20 30 DGEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000756234480 621622438 /nfs/dbraw/zinc/62/24/38/621622438.db2.gz USHJBJOJBYEWDX-CJNGLKHVSA-N 0 3 324.380 3.160 20 30 DGEDHN C#CCN(Cc1cccc(C(=O)NCC(C)C)c1)C1CCCC1 ZINC000756911523 621672486 /nfs/dbraw/zinc/67/24/86/621672486.db2.gz MLRFPKIGWAAKDA-UHFFFAOYSA-N 0 3 312.457 3.450 20 30 DGEDHN CN(C)CCSCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000756921037 621672866 /nfs/dbraw/zinc/67/28/66/621672866.db2.gz XXHKCYHSWCUWQW-SFQUDFHCSA-N 0 3 318.486 3.162 20 30 DGEDHN C#CC[C@H](NCc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000756996260 621677879 /nfs/dbraw/zinc/67/78/79/621677879.db2.gz POHVYZRUDKAGMQ-IBGZPJMESA-N 0 3 316.408 3.430 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCCC)c(C)c2)CC1 ZINC000863528694 621680933 /nfs/dbraw/zinc/68/09/33/621680933.db2.gz OEIIIVGMFDTJEF-UHFFFAOYSA-N 0 3 314.429 3.068 20 30 DGEDHN C#C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000809685910 621703037 /nfs/dbraw/zinc/70/30/37/621703037.db2.gz YZYRWGCZSAQXQU-INIZCTEOSA-N 0 3 315.417 3.333 20 30 DGEDHN C#C[C@@H](CC)NCC1=Cc2cc(Br)ccc2OC1 ZINC000809686029 621706044 /nfs/dbraw/zinc/70/60/44/621706044.db2.gz ISVHXQRHYXAWNR-AWEZNQCLSA-N 0 3 306.203 3.226 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1cc(C#N)ccc1F ZINC000759159946 621830913 /nfs/dbraw/zinc/83/09/13/621830913.db2.gz YEJCEDFBVSLOCR-UHFFFAOYSA-N 0 3 321.396 3.090 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1sccc1CC#N ZINC000865076496 621855701 /nfs/dbraw/zinc/85/57/01/621855701.db2.gz KXEUXTMBSWLYGV-OAHLLOKOSA-N 0 3 319.474 3.199 20 30 DGEDHN Cc1cc(OCC(=O)C(C#N)c2ccncn2)ccc1C(C)C ZINC000760344542 621933652 /nfs/dbraw/zinc/93/36/52/621933652.db2.gz IKQOECIPBHINTO-INIZCTEOSA-N 0 3 309.369 3.164 20 30 DGEDHN N#Cc1ccc(CNCCSCCC(F)(F)F)c(F)c1 ZINC000865788543 621995898 /nfs/dbraw/zinc/99/58/98/621995898.db2.gz VGFMAKVURFUDKP-UHFFFAOYSA-N 0 3 306.328 3.473 20 30 DGEDHN C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cccc(C#N)c1[O-] ZINC000866218332 622068435 /nfs/dbraw/zinc/06/84/35/622068435.db2.gz NEQHABAFCXLSBG-GJZGRUSLSA-N 0 3 301.434 3.179 20 30 DGEDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000866294456 622086883 /nfs/dbraw/zinc/08/68/83/622086883.db2.gz IRWVHJQIPQYRBD-IBGZPJMESA-N 0 3 308.381 3.375 20 30 DGEDHN CC(C)COc1ccccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000763236370 622132328 /nfs/dbraw/zinc/13/23/28/622132328.db2.gz QBJLNKMEOXXWNU-IBGZPJMESA-N 0 3 324.424 3.416 20 30 DGEDHN CC(C)c1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121733694 622176374 /nfs/dbraw/zinc/17/63/74/622176374.db2.gz ZVBZNFDXKKHLIB-CXAGYDPISA-N 0 3 312.413 3.291 20 30 DGEDHN C[C@@](O)(CNCc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000764983855 622237790 /nfs/dbraw/zinc/23/77/90/622237790.db2.gz PXAHBXOVCYTSSZ-QGZVFWFLSA-N 0 3 318.779 3.348 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765242420 622253466 /nfs/dbraw/zinc/25/34/66/622253466.db2.gz MLNPMQNSTBCZFQ-HKUYNNGSSA-N 0 3 312.457 3.207 20 30 DGEDHN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1C#N ZINC000767692678 622416217 /nfs/dbraw/zinc/41/62/17/622416217.db2.gz JOEIIBCWUQUKEL-AWEZNQCLSA-N 0 3 319.408 3.236 20 30 DGEDHN Cc1cccc(CO[C@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000870134810 622436458 /nfs/dbraw/zinc/43/64/58/622436458.db2.gz PFSYBWSWUHGAFL-RHSMWYFYSA-N 0 3 323.396 3.183 20 30 DGEDHN CCOC1CC2(C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000870162902 622437887 /nfs/dbraw/zinc/43/78/87/622437887.db2.gz PYNSMRNAXQJVJR-DVAPBTGTSA-N 0 3 310.353 3.209 20 30 DGEDHN C=CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440759 622455967 /nfs/dbraw/zinc/45/59/67/622455967.db2.gz GJNYNIHIAAHNLX-SFHVURJKSA-N 0 3 311.381 3.006 20 30 DGEDHN C=CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440759 622455969 /nfs/dbraw/zinc/45/59/69/622455969.db2.gz GJNYNIHIAAHNLX-SFHVURJKSA-N 0 3 311.381 3.006 20 30 DGEDHN C=CCN(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440759 622455971 /nfs/dbraw/zinc/45/59/71/622455971.db2.gz GJNYNIHIAAHNLX-SFHVURJKSA-N 0 3 311.381 3.006 20 30 DGEDHN C#CCn1ccc(CN(CC)[C@H](C)CCc2cccc(F)c2)n1 ZINC000789761406 625563206 /nfs/dbraw/zinc/56/32/06/625563206.db2.gz CHIYGHVQPMXRRH-MRXNPFEDSA-N 0 3 313.420 3.499 20 30 DGEDHN C=CC[C@@H]1[N@@H+](CCC[N-]C(=O)C(F)(F)F)CCCC1(C)C ZINC000769952441 622581635 /nfs/dbraw/zinc/58/16/35/622581635.db2.gz BPIJDJPDKGZYFM-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CC[C@@H]1[N@H+](CCC[N-]C(=O)C(F)(F)F)CCCC1(C)C ZINC000769952441 622581640 /nfs/dbraw/zinc/58/16/40/622581640.db2.gz BPIJDJPDKGZYFM-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000769960754 622582676 /nfs/dbraw/zinc/58/26/76/622582676.db2.gz HOJSZRWPCAJKSU-QFBILLFUSA-N 0 3 309.409 3.047 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1)C(=O)N(C)c1ccc(C)cc1 ZINC000871870176 622723676 /nfs/dbraw/zinc/72/36/76/622723676.db2.gz DXWHCPNNBUNUHP-LJQANCHMSA-N 0 3 321.424 3.398 20 30 DGEDHN C=CCN1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872032943 622763652 /nfs/dbraw/zinc/76/36/52/622763652.db2.gz COYDJWDEKMPIHZ-LBPRGKRZSA-N 0 3 307.369 3.035 20 30 DGEDHN Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000123980617 622855645 /nfs/dbraw/zinc/85/56/45/622855645.db2.gz YRMMPWPGHUHEQJ-WMLDXEAASA-N 0 3 312.413 3.256 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H](COC)Cc1ccccc1 ZINC000772987506 622961103 /nfs/dbraw/zinc/96/11/03/622961103.db2.gz JDJWWMOWCVCUOJ-LJQANCHMSA-N 0 3 309.409 3.046 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000773081550 622980506 /nfs/dbraw/zinc/98/05/06/622980506.db2.gz DEPUORDAZSKQLU-OAHLLOKOSA-N 0 3 320.392 3.430 20 30 DGEDHN CN(CCO)c1ccc(C=NN[C@H]2CCCCC2(C)C)cc1 ZINC000773123104 622988364 /nfs/dbraw/zinc/98/83/64/622988364.db2.gz DQBIGVBTTVBXMY-KRWDZBQOSA-N 0 3 303.450 3.007 20 30 DGEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000773767207 623070846 /nfs/dbraw/zinc/07/08/46/623070846.db2.gz ACPZLAWWWBJQOO-GXTWGEPZSA-N 0 3 304.415 3.174 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000773975431 623095099 /nfs/dbraw/zinc/09/50/99/623095099.db2.gz KTQHLSIDGWEMSA-IUODEOHRSA-N 0 3 316.401 3.415 20 30 DGEDHN CCN1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000774270315 623126469 /nfs/dbraw/zinc/12/64/69/623126469.db2.gz DIVOYHCJWZBRFP-AEFFLSMTSA-N 0 3 312.461 3.323 20 30 DGEDHN CCCOc1ccc(C=N[N-]c2[nH+]ccn2C)c(OCCC)c1 ZINC000790302291 625632103 /nfs/dbraw/zinc/63/21/03/625632103.db2.gz MBVFXXHTQIHODB-UHFFFAOYSA-N 0 3 316.405 3.444 20 30 DGEDHN C[C@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cccc(C#N)c1 ZINC000775337306 623255272 /nfs/dbraw/zinc/25/52/72/623255272.db2.gz DBFLAWAMCUANQH-KSSFIOAISA-N 0 3 321.380 3.234 20 30 DGEDHN COc1ccc(C2(NCc3ccc(OCC#N)cc3)CC2)cc1 ZINC000775409270 623270366 /nfs/dbraw/zinc/27/03/66/623270366.db2.gz FUKLBXKYIFXBSK-UHFFFAOYSA-N 0 3 308.381 3.376 20 30 DGEDHN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776168275 623388078 /nfs/dbraw/zinc/38/80/78/623388078.db2.gz HYAJZNDMQBNVCR-XJKSGUPXSA-N 0 3 316.426 3.343 20 30 DGEDHN CC(C)c1nc(C#N)c(N=NC(C)CN2CCCCCC2)o1 ZINC000777434275 623524136 /nfs/dbraw/zinc/52/41/36/623524136.db2.gz SSKPDAPGGOEECO-UHFFFAOYSA-N 0 3 303.410 3.333 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1ccncc1C ZINC000778171988 623619324 /nfs/dbraw/zinc/61/93/24/623619324.db2.gz TXXOYPYACOEACW-UHFFFAOYSA-N 0 3 314.816 3.388 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)Cc1cc(C)n[nH]1 ZINC000778174647 623620456 /nfs/dbraw/zinc/62/04/56/623620456.db2.gz XETSJRXTOIARNC-LBPRGKRZSA-N 0 3 317.820 3.104 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)Cc1cc(C)[nH]n1 ZINC000778174647 623620459 /nfs/dbraw/zinc/62/04/59/623620459.db2.gz XETSJRXTOIARNC-LBPRGKRZSA-N 0 3 317.820 3.104 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000876566976 623647009 /nfs/dbraw/zinc/64/70/09/623647009.db2.gz YQFRWXMDQBPZLQ-JKSUJKDBSA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000876568892 623647703 /nfs/dbraw/zinc/64/77/03/623647703.db2.gz AIDGVYKCFDXULN-LLVKDONJSA-N 0 3 306.715 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000876578054 623649543 /nfs/dbraw/zinc/64/95/43/623649543.db2.gz ZMOKYZKQIVFQEW-OAHLLOKOSA-N 0 3 308.853 3.113 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(Br)c1 ZINC000876577140 623649830 /nfs/dbraw/zinc/64/98/30/623649830.db2.gz RNFUIIIYHCUJDG-LLVKDONJSA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000876580179 623650278 /nfs/dbraw/zinc/65/02/78/623650278.db2.gz QLIKTGLPLZTWAV-JTQLQIEISA-N 0 3 306.715 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000876590731 623653140 /nfs/dbraw/zinc/65/31/40/623653140.db2.gz ASJAGFAOJMXBRU-KGLIPLIRSA-N 0 3 313.228 3.473 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](C)c1cccc(OC)c1 ZINC000876605310 623657365 /nfs/dbraw/zinc/65/73/65/623657365.db2.gz KXSQZRLOWCVRKD-IUODEOHRSA-N 0 3 310.825 3.075 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000876610660 623659146 /nfs/dbraw/zinc/65/91/46/623659146.db2.gz HFTHYPKZZJASBG-CVEARBPZSA-N 0 3 304.821 3.135 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000876625352 623663265 /nfs/dbraw/zinc/66/32/65/623663265.db2.gz XOWKRWPSGQGKDA-OAHLLOKOSA-N 0 3 319.836 3.179 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000876627018 623664005 /nfs/dbraw/zinc/66/40/05/623664005.db2.gz BBSHRBGCLAUYQL-CYBMUJFWSA-N 0 3 306.797 3.026 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000876637983 623667022 /nfs/dbraw/zinc/66/70/22/623667022.db2.gz YKIOZSLQPOQPJV-SNVBAGLBSA-N 0 3 323.607 3.410 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000876645217 623669456 /nfs/dbraw/zinc/66/94/56/623669456.db2.gz ILAAFHPSSDCFJR-CYBMUJFWSA-N 0 3 315.244 3.204 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000876648211 623670454 /nfs/dbraw/zinc/67/04/54/623670454.db2.gz YAWSGFAPEIWGSB-HOTGVXAUSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000876670933 623676970 /nfs/dbraw/zinc/67/69/70/623676970.db2.gz IARGPPWLINLYHY-FZMZJTMJSA-N 0 3 315.244 3.199 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccc(F)cc1F ZINC000876673532 623677869 /nfs/dbraw/zinc/67/78/69/623677869.db2.gz OAOPRBPBSLRMRT-QWHCGFSZSA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000876692501 623683728 /nfs/dbraw/zinc/68/37/28/623683728.db2.gz UUXXBQKUMXOOLA-ZDUSSCGKSA-N 0 3 312.772 3.165 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC000876698336 623684872 /nfs/dbraw/zinc/68/48/72/623684872.db2.gz PDIHMLMFKFZDFQ-HUUCEWRRSA-N 0 3 324.852 3.369 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000876698835 623685908 /nfs/dbraw/zinc/68/59/08/623685908.db2.gz NFXJPSPOCICOFO-ZDUSSCGKSA-N 0 3 319.792 3.367 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000876703838 623686751 /nfs/dbraw/zinc/68/67/51/623686751.db2.gz IVRWZXQLZMUYAW-QWRGUYRKSA-N 0 3 312.763 3.084 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N1CCCCC1 ZINC000876708084 623686844 /nfs/dbraw/zinc/68/68/44/623686844.db2.gz HJVPLDBNOJJOBS-CYBMUJFWSA-N 0 3 307.825 3.085 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000876711866 623687577 /nfs/dbraw/zinc/68/75/77/623687577.db2.gz HISASRQRNMUDRQ-WDEREUQCSA-N 0 3 323.849 3.286 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000876731124 623690884 /nfs/dbraw/zinc/69/08/84/623690884.db2.gz OVSPDQCTYJKMEV-CYBMUJFWSA-N 0 3 313.804 3.079 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)N(CCCC)CC2 ZINC000876778770 623703663 /nfs/dbraw/zinc/70/36/63/623703663.db2.gz NWWPUYMMCYJWEE-HNNXBMFYSA-N 0 3 321.852 3.258 20 30 DGEDHN CC(C)(C(=O)Nc1ccc2c(c1)CNC2)c1ccc(C#N)cc1 ZINC000876867285 623731725 /nfs/dbraw/zinc/73/17/25/623731725.db2.gz UKUGUSLHYUUBRE-UHFFFAOYSA-N 0 3 305.381 3.078 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000876887896 623737190 /nfs/dbraw/zinc/73/71/90/623737190.db2.gz JFHUNTDSSHETIE-CZUORRHYSA-N 0 3 308.853 3.327 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000876887897 623737512 /nfs/dbraw/zinc/73/75/12/623737512.db2.gz JFHUNTDSSHETIE-XJKSGUPXSA-N 0 3 308.853 3.327 20 30 DGEDHN CC(C)(C)[C@@H](Cn1ccnc1)NCc1cc(C#N)cnc1Cl ZINC000876957151 623754001 /nfs/dbraw/zinc/75/40/01/623754001.db2.gz VKMMVJAUBZWWGE-CQSZACIVSA-N 0 3 317.824 3.008 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000876969070 623757137 /nfs/dbraw/zinc/75/71/37/623757137.db2.gz WLGJRDDVZJCYNL-NSHDSACASA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000876994553 623761920 /nfs/dbraw/zinc/76/19/20/623761920.db2.gz JAZNRRCMWZKUSU-SNVBAGLBSA-N 0 3 323.849 3.118 20 30 DGEDHN COc1cccc(C[C@@H](C)NCc2cc(C#N)cnc2Cl)c1 ZINC000877036655 623771962 /nfs/dbraw/zinc/77/19/62/623771962.db2.gz SFYKUUGTJMZZCK-GFCCVEGCSA-N 0 3 315.804 3.336 20 30 DGEDHN C[C@@H](CCc1cccn1C)NCc1cc(C#N)cnc1Cl ZINC000877041600 623773833 /nfs/dbraw/zinc/77/38/33/623773833.db2.gz HQNLXHBDNMIDKB-LBPRGKRZSA-N 0 3 302.809 3.056 20 30 DGEDHN COc1cc(CCNCc2cc(C#N)cnc2Cl)ccc1C ZINC000877058423 623778739 /nfs/dbraw/zinc/77/87/39/623778739.db2.gz BBCAZDXODRQAAG-UHFFFAOYSA-N 0 3 315.804 3.256 20 30 DGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)[C@@H]1CCCCO1 ZINC000877088002 623788245 /nfs/dbraw/zinc/78/82/45/623788245.db2.gz ZGICDVNLIANIGP-AWEZNQCLSA-N 0 3 307.825 3.292 20 30 DGEDHN C#CCCCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000779880111 623824988 /nfs/dbraw/zinc/82/49/88/623824988.db2.gz WZDVRVWZOZMOOC-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@]1(C)Cc1cccc(C)c1 ZINC000877204921 623827663 /nfs/dbraw/zinc/82/76/63/623827663.db2.gz SJMYQJYRUMSYBR-AEFFLSMTSA-N 0 3 320.864 3.389 20 30 DGEDHN C=C(C)CN(Cc1ccc(CO)o1)Cc1c(C)cccc1O ZINC000877516637 623919948 /nfs/dbraw/zinc/91/99/48/623919948.db2.gz HJLCAFMKVDXKJJ-UHFFFAOYSA-N 0 3 301.386 3.364 20 30 DGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)C1(O)CCCC1 ZINC000877574704 623948013 /nfs/dbraw/zinc/94/80/13/623948013.db2.gz SUEWJGPGRFWHMY-UHFFFAOYSA-N 0 3 307.825 3.028 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCC2(C#N)CCC2)C12CCC2 ZINC000877594446 623955695 /nfs/dbraw/zinc/95/56/95/623955695.db2.gz URDIGLNEYHKTJV-KBPBESRZSA-N 0 3 319.449 3.106 20 30 DGEDHN C#CCCCCCCN1CCc2nnc(N3CCCC3)cc2C1 ZINC000877643954 623975743 /nfs/dbraw/zinc/97/57/43/623975743.db2.gz LOPUKIVMMUVTLO-UHFFFAOYSA-N 0 3 312.461 3.019 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672656 623986886 /nfs/dbraw/zinc/98/68/86/623986886.db2.gz JTAHPFZJKKJFIK-PZJWPPBQSA-N 0 3 321.420 3.397 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cnc(C(C)(C)C)nc1 ZINC000877705069 624000309 /nfs/dbraw/zinc/00/03/09/624000309.db2.gz RLWDZRWMNGOXGB-UHFFFAOYSA-N 0 3 308.429 3.320 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1c(C)cccc1Cl ZINC000790767106 625694592 /nfs/dbraw/zinc/69/45/92/625694592.db2.gz HVRJLCSHMAGRKK-CQSZACIVSA-N 0 3 320.820 3.206 20 30 DGEDHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000781422938 624069931 /nfs/dbraw/zinc/06/99/31/624069931.db2.gz ROUZJOMEWCDQMK-GXTWGEPZSA-N 0 3 304.365 3.034 20 30 DGEDHN C#CCCCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000877987049 624126501 /nfs/dbraw/zinc/12/65/01/624126501.db2.gz YHPPUUHLGWQBTJ-UHFFFAOYSA-N 0 3 304.459 3.090 20 30 DGEDHN COc1ccc([N-][NH+]=Cc2cnccc2N(C)C)cc1Cl ZINC000782232638 624224684 /nfs/dbraw/zinc/22/46/84/624224684.db2.gz SCPGOFMYNPRAGP-UHFFFAOYSA-N 0 3 304.781 3.256 20 30 DGEDHN CC(=O)[C@](C#N)(CCN1CCSCC[C@@H]1C)c1ccccc1 ZINC000878504192 624292559 /nfs/dbraw/zinc/29/25/59/624292559.db2.gz DSNXPGACUOVKRP-MAUKXSAKSA-N 0 3 316.470 3.254 20 30 DGEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H](CCF)C1)c1ccccc1 ZINC000878949325 624394550 /nfs/dbraw/zinc/39/45/50/624394550.db2.gz LKZNZJWPXNCSRU-HKUYNNGSSA-N 0 3 316.420 3.499 20 30 DGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000784266507 624470362 /nfs/dbraw/zinc/47/03/62/624470362.db2.gz SFFKRLDSTPKXGY-AWEZNQCLSA-N 0 3 319.408 3.122 20 30 DGEDHN Cn1cc(C(C)(C)C(=O)C(C#N)c2nc3ccccc3s2)cn1 ZINC000784821069 624583469 /nfs/dbraw/zinc/58/34/69/624583469.db2.gz KTIKLPXPJLWKPM-GFCCVEGCSA-N 0 3 324.409 3.184 20 30 DGEDHN OCCC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(Cl)cc1 ZINC000879776409 624673213 /nfs/dbraw/zinc/67/32/13/624673213.db2.gz RRKAZNXZQBYULX-ZNXRZULTSA-N 0 3 303.833 3.317 20 30 DGEDHN C=C(Br)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785723902 624718565 /nfs/dbraw/zinc/71/85/65/624718565.db2.gz UIBYCBDQAGZGJZ-UHFFFAOYSA-N 0 3 324.218 3.348 20 30 DGEDHN CC(=NNC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000786043041 624784987 /nfs/dbraw/zinc/78/49/87/624784987.db2.gz FRIYSVDLESQCGL-UHFFFAOYSA-N 0 3 301.434 3.170 20 30 DGEDHN CCC[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787080489 624977066 /nfs/dbraw/zinc/97/70/66/624977066.db2.gz VDWCWLZTVZWKDQ-GDBMZVCRSA-N 0 3 300.402 3.180 20 30 DGEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCO[C@H](C)C#N ZINC000796245461 626032006 /nfs/dbraw/zinc/03/20/06/626032006.db2.gz FSZJYMMITCZSGD-INMHGKMJSA-N 0 3 302.418 3.397 20 30 DGEDHN COc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C#N ZINC000796837626 626088241 /nfs/dbraw/zinc/08/82/41/626088241.db2.gz PIFBYHZSCAAWAN-NSHDSACASA-N 0 3 323.352 3.264 20 30 DGEDHN C#C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(CC)CC)C(C)C ZINC000798512051 626222858 /nfs/dbraw/zinc/22/28/58/626222858.db2.gz WINANNZNMZTAIO-CVEARBPZSA-N 0 3 321.490 3.088 20 30 DGEDHN N#CC(C(=O)CCCC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000798814550 626247709 /nfs/dbraw/zinc/24/77/09/626247709.db2.gz WYRFBAWXFBGKAU-AWEZNQCLSA-N 0 3 311.385 3.336 20 30 DGEDHN C#CCOc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000799343118 626293471 /nfs/dbraw/zinc/29/34/71/626293471.db2.gz AMQNLPZYCRDKDZ-OAQYLSRUSA-N 0 3 321.420 3.012 20 30 DGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000802796882 626573629 /nfs/dbraw/zinc/57/36/29/626573629.db2.gz KXLSQJVIDFAIKL-IUODEOHRSA-N 0 3 320.820 3.491 20 30 DGEDHN C=CCCC[C@@H](NCc1n[nH]c(COC)n1)c1ccccc1 ZINC000883235048 626618294 /nfs/dbraw/zinc/61/82/94/626618294.db2.gz SUELGDNBVFTHLR-OAHLLOKOSA-N 0 3 300.406 3.138 20 30 DGEDHN O[C@H](CNCc1ccc(C(F)F)cc1)C(F)(F)C(F)(F)F ZINC000883368149 626663806 /nfs/dbraw/zinc/66/38/06/626663806.db2.gz IQWHOSZKLZKMHX-SECBINFHSA-N 0 3 319.220 3.272 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC3(CCOCC3)Oc3ccccc32)C1 ZINC000883386040 626668978 /nfs/dbraw/zinc/66/89/78/626668978.db2.gz YGONMXHBUVUHBN-VYDXJSESSA-N 0 3 312.413 3.341 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000883389249 626670371 /nfs/dbraw/zinc/67/03/71/626670371.db2.gz MVWYTHUFQLOAJS-RYUDHWBXSA-N 0 3 313.825 3.335 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807740051 626767412 /nfs/dbraw/zinc/76/74/12/626767412.db2.gz RYUXZKVYRLHSKV-PKOBYXMFSA-N 0 3 312.457 3.349 20 30 DGEDHN CCCCC[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)(C)C ZINC000884139089 626840563 /nfs/dbraw/zinc/84/05/63/626840563.db2.gz IYLSYPIIBWXELA-BHEGOAEISA-N 0 3 319.493 3.237 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810280293 626996176 /nfs/dbraw/zinc/99/61/76/626996176.db2.gz FJYUCNCYOUPKPO-IBGZPJMESA-N 0 3 318.436 3.414 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCCSC1 ZINC000810529556 627012189 /nfs/dbraw/zinc/01/21/89/627012189.db2.gz JFDLECQTQFAYNL-GWCFXTLKSA-N 0 3 322.817 3.131 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000810527749 627012404 /nfs/dbraw/zinc/01/24/04/627012404.db2.gz NSIJUWQXKGEKLG-GFCCVEGCSA-N 0 3 324.783 3.037 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000136148312 627046511 /nfs/dbraw/zinc/04/65/11/627046511.db2.gz DRRPPLHIUUJSIC-AWEZNQCLSA-N 0 3 310.781 3.235 20 30 DGEDHN CCCN(Cc1ccccc1F)C[C@@H](O)CC1(C#N)CCC1 ZINC000885969151 627072964 /nfs/dbraw/zinc/07/29/64/627072964.db2.gz LMLVIWJJHCJTDF-INIZCTEOSA-N 0 3 304.409 3.483 20 30 DGEDHN N#CC1(C[C@@H](O)CNC2(c3ccc(F)cc3F)CCC2)CCC1 ZINC000886111955 627107078 /nfs/dbraw/zinc/10/70/78/627107078.db2.gz LUZMHIICKNHPSX-CQSZACIVSA-N 0 3 320.383 3.378 20 30 DGEDHN COCc1ccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000886138563 627110685 /nfs/dbraw/zinc/11/06/85/627110685.db2.gz NHNJWWQVIROURB-GOEBONIOSA-N 0 3 318.417 3.008 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000886361328 627142975 /nfs/dbraw/zinc/14/29/75/627142975.db2.gz BNCKBNMIBSZDBA-JKSUJKDBSA-N 0 3 324.424 3.297 20 30 DGEDHN COc1ccc(CN(C)[C@H](CO)c2ccccc2C)cc1C#N ZINC000886436287 627148772 /nfs/dbraw/zinc/14/87/72/627148772.db2.gz WHSQQEJOYKNLAT-GOSISDBHSA-N 0 3 310.397 3.041 20 30 DGEDHN COc1ccc(CN(C)[C@@H](CO)c2ccccc2C)cc1C#N ZINC000886436288 627149146 /nfs/dbraw/zinc/14/91/46/627149146.db2.gz WHSQQEJOYKNLAT-SFHVURJKSA-N 0 3 310.397 3.041 20 30 DGEDHN N#Cc1ccccc1CSCCN[C@H]1CCc2cccnc21 ZINC000886514271 627155660 /nfs/dbraw/zinc/15/56/60/627155660.db2.gz LSJZCZBVTNMARN-KRWDZBQOSA-N 0 3 309.438 3.464 20 30 DGEDHN C#CCN(C(=O)CC/C=C\c1ccccc1)C1CCN(C)CC1 ZINC000886581190 627166896 /nfs/dbraw/zinc/16/68/96/627166896.db2.gz MTTJTVSSJNYFDD-XFFZJAGNSA-N 0 3 310.441 3.036 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCN(C)CC1 ZINC000886579749 627167182 /nfs/dbraw/zinc/16/71/82/627167182.db2.gz HAPPMDZBJDGKSX-RCCFBDPRSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCn1cc2ccc(NC(=O)[C@@H]3CCCN3CCC)cc2n1 ZINC000886647587 627179918 /nfs/dbraw/zinc/17/99/18/627179918.db2.gz UZKWZHWEKIFCIF-KRWDZBQOSA-N 0 3 312.417 3.035 20 30 DGEDHN CSC1(C/N=C\c2cc(Cl)ccc2[O-])CC[NH+](C)CC1 ZINC000811625024 627296468 /nfs/dbraw/zinc/29/64/68/627296468.db2.gz ANXHULWDTWYUBR-YVLHZVERSA-N 0 3 312.866 3.292 20 30 DGEDHN C[C@H](COc1ccccc1)NN=Cc1ccc2c(c1)CCN2C ZINC000811667544 627304439 /nfs/dbraw/zinc/30/44/39/627304439.db2.gz XTENZIIMKMFCGU-OAHLLOKOSA-N 0 3 309.413 3.070 20 30 DGEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000813060070 627444141 /nfs/dbraw/zinc/44/41/41/627444141.db2.gz OSGYQQRPLBTQLI-LBPRGKRZSA-N 0 3 324.167 3.335 20 30 DGEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214103 627468316 /nfs/dbraw/zinc/46/83/16/627468316.db2.gz SQPIVZFALBADLE-NURSFMCSSA-N 0 3 314.307 3.338 20 30 DGEDHN Cc1cccc([C@@H](NC2CCN(CC#N)CC2)c2ccccn2)c1 ZINC000925002793 627700423 /nfs/dbraw/zinc/70/04/23/627700423.db2.gz KVQILBKVNAZLRN-HXUWFJFHSA-N 0 3 320.440 3.057 20 30 DGEDHN C[C@@H]1[C@H](OC(=O)CC2(C#N)CC2)CCCN1Cc1ccccc1 ZINC000816468996 627793208 /nfs/dbraw/zinc/79/32/08/627793208.db2.gz QJVXQXGBBVCHSJ-NVXWUHKLSA-N 0 3 312.413 3.277 20 30 DGEDHN C=CCCOCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816469085 627793364 /nfs/dbraw/zinc/79/33/64/627793364.db2.gz SDHAVUASVVJQQK-FUHWJXTLSA-N 0 3 317.429 3.175 20 30 DGEDHN C[C@H](C1CC(F)(F)C1)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000926807251 627958978 /nfs/dbraw/zinc/95/89/78/627958978.db2.gz KGRDOBWOGPKKMU-CYBMUJFWSA-N 0 3 305.372 3.114 20 30 DGEDHN C#CCN1CCC[C@H](N[C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000926867316 627966604 /nfs/dbraw/zinc/96/66/04/627966604.db2.gz JZJCZRKFLNHXSO-SFTDATJTSA-N 0 3 319.452 3.167 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000818588952 628039437 /nfs/dbraw/zinc/03/94/37/628039437.db2.gz KNMJVKIGJDBESI-KRWDZBQOSA-N 0 3 314.473 3.060 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1sc2ccc(F)cc2c1C ZINC000818593039 628040143 /nfs/dbraw/zinc/04/01/43/628040143.db2.gz ISPGHTVWMYLKML-UHFFFAOYSA-N 0 3 318.417 3.034 20 30 DGEDHN CCc1cccc2c1OCC[C@H]2NC[C@@H](O)c1ccc(C#N)cc1 ZINC000818998430 628075572 /nfs/dbraw/zinc/07/55/72/628075572.db2.gz RMFGTUATMZQNMU-RTBURBONSA-N 0 3 322.408 3.267 20 30 DGEDHN C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(C#N)cc2)c2ccccc2O1 ZINC000819342522 628137095 /nfs/dbraw/zinc/13/70/95/628137095.db2.gz SYMZNZSCCBTKJZ-XWIAVFTESA-N 0 3 308.381 3.094 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819739594 628184697 /nfs/dbraw/zinc/18/46/97/628184697.db2.gz AKCSLDBCMFSDGX-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819739594 628184699 /nfs/dbraw/zinc/18/46/99/628184699.db2.gz AKCSLDBCMFSDGX-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929162874 628218871 /nfs/dbraw/zinc/21/88/71/628218871.db2.gz UPPYQNUSTLJSHT-CABCVRRESA-N 0 3 312.335 3.490 20 30 DGEDHN C#CCOc1ccccc1CN1CCC2(CCC(O)CC2)CC1 ZINC000824521352 628666441 /nfs/dbraw/zinc/66/64/41/628666441.db2.gz ITHDLPMVBXVIFI-UHFFFAOYSA-N 0 3 313.441 3.216 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000824696718 628684836 /nfs/dbraw/zinc/68/48/36/628684836.db2.gz QQVLHDATIMXKPS-BEFAXECRSA-N 0 3 310.397 3.143 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 ZINC000825118959 628729812 /nfs/dbraw/zinc/72/98/12/628729812.db2.gz ZRLCDSGGKMDKGT-GUDVDZBRSA-N 0 3 323.440 3.151 20 30 DGEDHN C#C[C@@H](NCc1ccccc1N1CCCCC1)C1CCOCC1 ZINC000827569372 628972003 /nfs/dbraw/zinc/97/20/03/628972003.db2.gz ADDRRIGRPZDCJA-LJQANCHMSA-N 0 3 312.457 3.195 20 30 DGEDHN C#C[C@H](NCc1ccccc1N1CCCCC1)C1CCOCC1 ZINC000827569371 628972017 /nfs/dbraw/zinc/97/20/17/628972017.db2.gz ADDRRIGRPZDCJA-IBGZPJMESA-N 0 3 312.457 3.195 20 30 DGEDHN C#C[C@@H](NCc1cccc(OC(F)(F)F)c1)C1CCOCC1 ZINC000827569753 628972152 /nfs/dbraw/zinc/97/21/52/628972152.db2.gz FQOFGWIQBNQUBV-OAHLLOKOSA-N 0 3 313.319 3.103 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000829769172 629189882 /nfs/dbraw/zinc/18/98/82/629189882.db2.gz PUYBPTHTVXPBDR-SFHVURJKSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000829769194 629190006 /nfs/dbraw/zinc/19/00/06/629190006.db2.gz QEUVNUUADYQCCB-CABCVRRESA-N 0 3 318.848 3.253 20 30 DGEDHN C#CC[C@H]1CCCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000829778857 629191543 /nfs/dbraw/zinc/19/15/43/629191543.db2.gz JAYDUCQBBZKICA-BBRMVZONSA-N 0 3 311.347 3.474 20 30 DGEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000829806148 629195344 /nfs/dbraw/zinc/19/53/44/629195344.db2.gz ZWPXZPGHTPVTJN-CZUORRHYSA-N 0 3 322.246 3.218 20 30 DGEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000829806151 629195716 /nfs/dbraw/zinc/19/57/16/629195716.db2.gz ZWPXZPGHTPVTJN-XJKSGUPXSA-N 0 3 322.246 3.218 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000829810350 629196736 /nfs/dbraw/zinc/19/67/36/629196736.db2.gz OOMKZHVXSBFPAF-AWEZNQCLSA-N 0 3 314.820 3.156 20 30 DGEDHN C#CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000830316064 629252076 /nfs/dbraw/zinc/25/20/76/629252076.db2.gz CVXZPTKGSXTGFY-KBPBESRZSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2c(F)cccc2Cl)CC1 ZINC000831625645 629398557 /nfs/dbraw/zinc/39/85/57/629398557.db2.gz GYGIGZCOWPRWLL-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000101583316 629742972 /nfs/dbraw/zinc/74/29/72/629742972.db2.gz KVCQQUNEMHIJCB-CVEARBPZSA-N 0 3 322.408 3.267 20 30 DGEDHN C#CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000834893693 629800322 /nfs/dbraw/zinc/80/03/22/629800322.db2.gz WHISDSMAZSCNGB-HXUWFJFHSA-N 0 3 302.377 3.347 20 30 DGEDHN Cc1ccc(CNN=Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000835009151 629821834 /nfs/dbraw/zinc/82/18/34/629821834.db2.gz OPAAIZZISOZDIZ-UHFFFAOYSA-N 0 3 306.413 3.469 20 30 DGEDHN N#CC(C(=O)[C@H]1CC12CCSCC2)c1nc2ccccc2[nH]1 ZINC000835034385 629830355 /nfs/dbraw/zinc/83/03/55/629830355.db2.gz AJHRGTGPUGXNOT-NWDGAFQWSA-N 0 3 311.410 3.272 20 30 DGEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063742 629841214 /nfs/dbraw/zinc/84/12/14/629841214.db2.gz QDMBTDWQIUKQSO-PWSUYJOCSA-N 0 3 312.291 3.313 20 30 DGEDHN CC(C)Cc1ccc([C@H](CNC(=O)C#CC2CC2)N(C)C)cc1 ZINC000837653754 630293058 /nfs/dbraw/zinc/29/30/58/630293058.db2.gz CMNKOHCWMAUDEC-IBGZPJMESA-N 0 3 312.457 3.017 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C#CC(C)(C)C)C1 ZINC000837687710 630297290 /nfs/dbraw/zinc/29/72/90/630297290.db2.gz YAJVHLVJRZHAFO-QGZVFWFLSA-N 0 3 312.457 3.016 20 30 DGEDHN CN(CCOC(=O)[C@]1(C#N)CC12CCCC2)Cc1ccccc1 ZINC000837902448 630325203 /nfs/dbraw/zinc/32/52/03/630325203.db2.gz LMYMRELOKCZPQB-LJQANCHMSA-N 0 3 312.413 3.136 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC23CCOCC3)c([O-])c1 ZINC000840709897 630350542 /nfs/dbraw/zinc/35/05/42/630350542.db2.gz OTRDFUCRBCMKSC-AMRJIULGSA-N 0 3 302.418 3.226 20 30 DGEDHN C#CCOc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000840957777 630385128 /nfs/dbraw/zinc/38/51/28/630385128.db2.gz MUOFAGDZGJECMV-AZUAARDMSA-N 0 3 307.393 3.007 20 30 DGEDHN CCCCCCCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000841322979 630428440 /nfs/dbraw/zinc/42/84/40/630428440.db2.gz XZMNOFISGOJTOF-UHFFFAOYSA-N 0 3 304.438 3.209 20 30 DGEDHN CC(=NN(C)C[C@@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000841656561 630452223 /nfs/dbraw/zinc/45/22/23/630452223.db2.gz XCJHHESBEXNBGG-OAHLLOKOSA-N 0 3 303.450 3.104 20 30 DGEDHN CCCCCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842288850 630511454 /nfs/dbraw/zinc/51/14/54/630511454.db2.gz MCSKYNIMVXHDFT-GDBMZVCRSA-N 0 3 316.401 3.319 20 30 DGEDHN C#CC[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000842629961 630556428 /nfs/dbraw/zinc/55/64/28/630556428.db2.gz TYLLGFRGVPJAMV-HNNXBMFYSA-N 0 3 324.384 3.151 20 30 DGEDHN C#CC[C@H]1CCCN(Cc2cc(OC)c(OCC)c(OC)c2)C1 ZINC000843423612 630656273 /nfs/dbraw/zinc/65/62/73/630656273.db2.gz HFCQETDLQGHWNM-HNNXBMFYSA-N 0 3 317.429 3.338 20 30 DGEDHN C#CC1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000843426615 630656914 /nfs/dbraw/zinc/65/69/14/630656914.db2.gz CHCRBXAZSPRMFF-UHFFFAOYSA-N 0 3 312.413 3.223 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC2(CCC2)O1 ZINC000843435701 630658737 /nfs/dbraw/zinc/65/87/37/630658737.db2.gz RLYZJLSGVZGKCU-MRXNPFEDSA-N 0 3 313.445 3.180 20 30 DGEDHN Cc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)nc1 ZINC000844181366 630711726 /nfs/dbraw/zinc/71/17/26/630711726.db2.gz ZBGRLSLMXFZDDX-INIZCTEOSA-N 0 3 324.384 3.142 20 30 DGEDHN C=CCc1cc(OCC)cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000844755418 630841443 /nfs/dbraw/zinc/84/14/43/630841443.db2.gz UQQCRUBXNDKUIY-GASCZTMLSA-N 0 3 309.356 3.216 20 30 DGEDHN C=C(C)CONC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000845598858 631182857 /nfs/dbraw/zinc/18/28/57/631182857.db2.gz BJUQDTNXZLOOPI-KRWDZBQOSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C[C@@H](C)ONC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000845634006 631184472 /nfs/dbraw/zinc/18/44/72/631184472.db2.gz RFWRZDQKQNFSDH-NVXWUHKLSA-N 0 3 317.433 3.019 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000847033773 631385969 /nfs/dbraw/zinc/38/59/69/631385969.db2.gz ZSPBZGAZUFJGQY-CQSZACIVSA-N 0 3 307.393 3.127 20 30 DGEDHN CN(C)c1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccn1 ZINC000847057815 631393181 /nfs/dbraw/zinc/39/31/81/631393181.db2.gz JCFQLRJJCGAZLC-UHFFFAOYSA-N 0 3 306.413 3.188 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000847254043 631448367 /nfs/dbraw/zinc/44/83/67/631448367.db2.gz CMWUEDPRPXFWHA-DLBZAZTESA-N 0 3 302.462 3.093 20 30 DGEDHN CCCCCCCC[C@@H](C)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306089 631644457 /nfs/dbraw/zinc/64/44/57/631644457.db2.gz MEYADZAQCHEKRY-FGTMMUONSA-N 0 3 324.509 3.041 20 30 DGEDHN c1cc2c(ncnc2N=NC2CCCN3CCCC[C@@H]23)s1 ZINC000848401652 631654947 /nfs/dbraw/zinc/65/49/47/631654947.db2.gz FCPZOGUUPXLIOA-ZDUSSCGKSA-N 0 3 301.419 3.108 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000848399735 631655065 /nfs/dbraw/zinc/65/50/65/631655065.db2.gz TWHWDCKZMGRSCI-QZTJIDSGSA-N 0 3 313.445 3.194 20 30 DGEDHN C#CCCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529512 631679930 /nfs/dbraw/zinc/67/99/30/631679930.db2.gz OWMXAPRSGQDRFK-JTQLQIEISA-N 0 3 312.207 3.227 20 30 DGEDHN C=CCOCCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000850377619 632132005 /nfs/dbraw/zinc/13/20/05/632132005.db2.gz GXTZUYBMSOOHMU-UHFFFAOYSA-N 0 3 314.216 3.323 20 30 DGEDHN N#CC1(c2ccc(CNC[C@]34OCCC[C@H]3C4(F)F)cc2)CC1 ZINC000850379938 632132814 /nfs/dbraw/zinc/13/28/14/632132814.db2.gz JOJGDUHRDNMNMK-WBVHZDCISA-N 0 3 318.367 3.146 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534556 632185229 /nfs/dbraw/zinc/18/52/29/632185229.db2.gz OBXQXHBZDIJXIU-ZACQAIPSSA-N 0 3 318.367 3.340 20 30 DGEDHN C=CC[C@@H](NC(=O)C[C@H]1NCc2ccccc21)c1ccncc1 ZINC000851630833 632462956 /nfs/dbraw/zinc/46/29/56/632462956.db2.gz STFOVQGEHCPHPD-QZTJIDSGSA-N 0 3 307.397 3.050 20 30 DGEDHN N#Cc1ccc(CN2CCCN(CC=C(Cl)Cl)CC2)cc1 ZINC000851711935 632471371 /nfs/dbraw/zinc/47/13/71/632471371.db2.gz GSJZHFGWDVDENM-UHFFFAOYSA-N 0 3 324.255 3.385 20 30 DGEDHN C#CCOCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000851920780 632521654 /nfs/dbraw/zinc/52/16/54/632521654.db2.gz FSZQODBKGOXCJX-GOSISDBHSA-N 0 3 314.816 3.258 20 30 DGEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000852099246 632553896 /nfs/dbraw/zinc/55/38/96/632553896.db2.gz HSKAWRDHEHIWEU-PBFPGSCMSA-N 0 3 306.837 3.297 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000852100717 632554630 /nfs/dbraw/zinc/55/46/30/632554630.db2.gz ZTNQHGPVPAKNQA-MSOLQXFVSA-N 0 3 304.409 3.031 20 30 DGEDHN C#C[C@@](C)(CC)NCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000852103121 632555025 /nfs/dbraw/zinc/55/50/25/632555025.db2.gz YBLMHHFPCYBASN-IFXJQAMLSA-N 0 3 318.269 3.493 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000852101963 632555146 /nfs/dbraw/zinc/55/51/46/632555146.db2.gz IVDDXMMYPJEPRI-CXAGYDPISA-N 0 3 306.837 3.251 20 30 DGEDHN C=CCN(Cc1ccc(SC(=O)N(C)C)cc1)[C@@H](C)COC ZINC000852358451 632595701 /nfs/dbraw/zinc/59/57/01/632595701.db2.gz SHLYMKVWKNKOCT-AWEZNQCLSA-N 0 3 322.474 3.483 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@H](C)C1 ZINC000943500804 660190411 /nfs/dbraw/zinc/19/04/11/660190411.db2.gz ZOIUEAPVMKGVFD-OXQOHEQNSA-N 0 3 322.452 3.110 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](C)C1 ZINC000943817114 660201276 /nfs/dbraw/zinc/20/12/76/660201276.db2.gz QZMPDUGKDSLNQC-WMLDXEAASA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000185030311 660198836 /nfs/dbraw/zinc/19/88/36/660198836.db2.gz OEWVWBFJKHGCHF-KRWDZBQOSA-N 0 3 300.446 3.017 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)[C@H](C)C1 ZINC000944156751 660214387 /nfs/dbraw/zinc/21/43/87/660214387.db2.gz 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ZINC001032221129 660233464 /nfs/dbraw/zinc/23/34/64/660233464.db2.gz XQMKHIDSGFVJSH-UHFFFAOYSA-N 0 3 318.848 3.148 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2C(C)C)[C@H](C)C1 ZINC000945090590 660240250 /nfs/dbraw/zinc/24/02/50/660240250.db2.gz LVONKEKOXSVABC-HIFRSBDPSA-N 0 3 306.475 3.498 20 30 DGEDHN C#CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000185956829 660256387 /nfs/dbraw/zinc/25/63/87/660256387.db2.gz PUHREABNEDVYHK-GOSISDBHSA-N 0 3 312.457 3.159 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC000996134997 660276180 /nfs/dbraw/zinc/27/61/80/660276180.db2.gz MFWONQIHQAQVLC-CQSZACIVSA-N 0 3 321.490 3.072 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000997290464 660318107 /nfs/dbraw/zinc/31/81/07/660318107.db2.gz UNNJWBADIBKPMF-CQSZACIVSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3ccccc3c2)CC1 ZINC000997401994 660323926 /nfs/dbraw/zinc/32/39/26/660323926.db2.gz LTECLHLUDXJUFO-MRXNPFEDSA-N 0 3 320.436 3.303 20 30 DGEDHN 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/nfs/dbraw/zinc/72/43/70/660724370.db2.gz TXUAGANLXIEVSX-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001034224321 660726873 /nfs/dbraw/zinc/72/68/73/660726873.db2.gz WUPRIGJUKJQTFI-QGZVFWFLSA-N 0 3 312.457 3.336 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034247909 660727347 /nfs/dbraw/zinc/72/73/47/660727347.db2.gz UJJZBOIODNZHIK-CQSZACIVSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001034260449 660729159 /nfs/dbraw/zinc/72/91/59/660729159.db2.gz KXRQTZGMBJIASJ-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001034315115 660736307 /nfs/dbraw/zinc/73/63/07/660736307.db2.gz JLXHPNFUIREHJZ-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001034315117 660736622 /nfs/dbraw/zinc/73/66/22/660736622.db2.gz JLXHPNFUIREHJZ-OAHLLOKOSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034317710 660736665 /nfs/dbraw/zinc/73/66/65/660736665.db2.gz ARERBNZBVZDZKJ-FJIDUMEYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001034333650 660738141 /nfs/dbraw/zinc/73/81/41/660738141.db2.gz JFRCGTDAFLDGQH-INIZCTEOSA-N 0 3 313.445 3.038 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001034337132 660738625 /nfs/dbraw/zinc/73/86/25/660738625.db2.gz DTKNSCUAWJSPTG-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC=C(C)C)C2)cc1 ZINC001034346009 660740794 /nfs/dbraw/zinc/74/07/94/660740794.db2.gz XMPSLUYPOPZBPT-LJQANCHMSA-N 0 3 310.441 3.218 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001034371295 660742173 /nfs/dbraw/zinc/74/21/73/660742173.db2.gz HXKMJXAFIIJVTP-CYBMUJFWSA-N 0 3 312.360 3.378 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034435033 660753661 /nfs/dbraw/zinc/75/36/61/660753661.db2.gz RLWZLZJTRBXVLG-CYBMUJFWSA-N 0 3 310.850 3.009 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001034509056 660763920 /nfs/dbraw/zinc/76/39/20/660763920.db2.gz XJFFTBRSIVWIFB-CYBMUJFWSA-N 0 3 317.458 3.390 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001034512080 660764648 /nfs/dbraw/zinc/76/46/48/660764648.db2.gz OCRNUQYFAXCWIC-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034514001 660765146 /nfs/dbraw/zinc/76/51/46/660765146.db2.gz FBXFAVPTESIBSN-GOSISDBHSA-N 0 3 300.446 3.409 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001034551585 660768667 /nfs/dbraw/zinc/76/86/67/660768667.db2.gz URSSIYRONOVJKM-QGZVFWFLSA-N 0 3 314.473 3.429 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001034540192 660770346 /nfs/dbraw/zinc/77/03/46/660770346.db2.gz GLPLGICMLLGMBO-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001034543812 660771243 /nfs/dbraw/zinc/77/12/43/660771243.db2.gz AIELZSJNNUXJAH-MNNVXMFVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001034544425 660771763 /nfs/dbraw/zinc/77/17/63/660771763.db2.gz OPJNCKNUDHXZSG-KMFTYDHNSA-N 0 3 324.468 3.265 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)nc2C(C)C)CC1 ZINC001005791098 660814930 /nfs/dbraw/zinc/81/49/30/660814930.db2.gz MGZHFBVBUOVPQM-UHFFFAOYSA-N 0 3 315.461 3.236 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCC1CCCC1)CC2 ZINC001035643231 660843378 /nfs/dbraw/zinc/84/33/78/660843378.db2.gz FOXQSDOQFINNSB-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(F)=C1CCCC1)CC2 ZINC001035687588 660844923 /nfs/dbraw/zinc/84/49/23/660844923.db2.gz GGEPQVRKEXQIFL-UHFFFAOYSA-N 0 3 306.425 3.285 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@H]1CC)CC2 ZINC001035733976 660848099 /nfs/dbraw/zinc/84/80/99/660848099.db2.gz MCKABCOXFOIOCV-IEBWSBKVSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001035767062 660849773 /nfs/dbraw/zinc/84/97/73/660849773.db2.gz MNBWLDOGKVZHNV-UHFFFAOYSA-N 0 3 312.457 3.323 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)CC1CCCC1)CC2 ZINC001035813895 660855471 /nfs/dbraw/zinc/85/54/71/660855471.db2.gz XXRFLWAXVZSMMF-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(CC)cc1)CC2 ZINC001035847228 660855991 /nfs/dbraw/zinc/85/59/91/660855991.db2.gz MKYFDBMRTIGCNV-UHFFFAOYSA-N 0 3 312.457 3.363 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@]1(CC)C(C)C)CC2 ZINC001035829462 660856696 /nfs/dbraw/zinc/85/66/96/660856696.db2.gz ZOWUYZCMTPHLOK-FXAWDEMLSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CC)CCCC1)CC2 ZINC001035830852 660857099 /nfs/dbraw/zinc/85/70/99/660857099.db2.gz ZBFCSOJLUIXPKE-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(CC)CCCCC1)CC2 ZINC001035856866 660860402 /nfs/dbraw/zinc/86/04/02/660860402.db2.gz WVRBEGOUKRTMGP-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2nccs2)[C@@H](C)C1 ZINC001036133654 660879306 /nfs/dbraw/zinc/87/93/06/660879306.db2.gz CEUKDSYLQPWUSU-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)NCc2cscn2)C1 ZINC001036425522 660904688 /nfs/dbraw/zinc/90/46/88/660904688.db2.gz BPGBYPSLJVADOI-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncsc2C2CC2)CC1 ZINC001005983916 660954621 /nfs/dbraw/zinc/95/46/21/660954621.db2.gz MMUFTRXEFDBLMN-UHFFFAOYSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2sc(C)cc2OC)CC1 ZINC001006085791 660962593 /nfs/dbraw/zinc/96/25/93/660962593.db2.gz DTVQQDZPQZYUSW-UHFFFAOYSA-N 0 3 322.474 3.178 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2oc(C(C)C)nc2C)CC1 ZINC001006097170 660962848 /nfs/dbraw/zinc/96/28/48/660962848.db2.gz GTVONJLWVRZTAZ-UHFFFAOYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC001006123258 660964817 /nfs/dbraw/zinc/96/48/17/660964817.db2.gz MSCIBTWBCPNWSE-UHFFFAOYSA-N 0 3 310.441 3.368 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccc(F)cc23)C[C@@H]1C ZINC000947975796 660959616 /nfs/dbraw/zinc/95/96/16/660959616.db2.gz QCHQFOWOKKVMPV-GXTWGEPZSA-N 0 3 316.376 3.341 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001006324245 660974609 /nfs/dbraw/zinc/97/46/09/660974609.db2.gz MCMZSARXCZWDEV-UHFFFAOYSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(Cl)c2)CC1 ZINC001006327606 660975477 /nfs/dbraw/zinc/97/54/77/660975477.db2.gz OGDMALTWISUINF-UHFFFAOYSA-N 0 3 306.837 3.453 20 30 DGEDHN C[C@H]1CN(Cc2ccccn2)CCC1N=NCC1(C)CCCC1 ZINC000793085039 661004196 /nfs/dbraw/zinc/00/41/96/661004196.db2.gz VSJYCDMRRDMOSM-INIZCTEOSA-N 0 3 314.477 3.449 20 30 DGEDHN C#C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)c1ccc(F)cc1 ZINC000794896837 661112562 /nfs/dbraw/zinc/11/25/62/661112562.db2.gz UTTPTQATDDVHPU-ROUUACIJSA-N 0 3 316.420 3.127 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OCCC)c2)C[C@H]1C ZINC000947365917 655525620 /nfs/dbraw/zinc/52/56/20/655525620.db2.gz WBYCHNCVSXWEMF-NVXWUHKLSA-N 0 3 316.445 3.244 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC000969139458 655527317 /nfs/dbraw/zinc/52/73/17/655527317.db2.gz MKNUBBVXUQOROJ-KRWDZBQOSA-N 0 3 324.424 3.431 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000969139097 655527363 /nfs/dbraw/zinc/52/73/63/655527363.db2.gz IFLSVWORCKBFKK-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC000969136810 655527836 /nfs/dbraw/zinc/52/78/36/655527836.db2.gz QENFVIMZJQDUBZ-QGZVFWFLSA-N 0 3 313.445 3.119 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000969140172 655527992 /nfs/dbraw/zinc/52/79/92/655527992.db2.gz ZYIROZOCZKKSDI-INIZCTEOSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000969140173 655528063 /nfs/dbraw/zinc/52/80/63/655528063.db2.gz ZYIROZOCZKKSDI-MRXNPFEDSA-N 0 3 308.372 3.125 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1sccc1CC ZINC000969156320 655529181 /nfs/dbraw/zinc/52/91/81/655529181.db2.gz PIYYXYYHKLDAEP-INIZCTEOSA-N 0 3 318.486 3.308 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC000969831054 655559140 /nfs/dbraw/zinc/55/91/40/655559140.db2.gz ZQDTVABEAZZFDC-RHSMWYFYSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001039067035 655567134 /nfs/dbraw/zinc/56/71/34/655567134.db2.gz JCTIOQMWSYZOIN-CZUORRHYSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC000970070549 655571628 /nfs/dbraw/zinc/57/16/28/655571628.db2.gz IMHWYYHMTJZBDT-INIZCTEOSA-N 0 3 323.440 3.104 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001039119986 655582692 /nfs/dbraw/zinc/58/26/92/655582692.db2.gz VJEQZZZUBLOOOV-CZUORRHYSA-N 0 3 312.885 3.346 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001020987657 655584895 /nfs/dbraw/zinc/58/48/95/655584895.db2.gz MZHULFISAIFYJN-HAQNSBGRSA-N 0 3 322.767 3.175 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001021070563 655588585 /nfs/dbraw/zinc/58/85/85/655588585.db2.gz JTGHFECEOOJYCN-XYPYZODXSA-N 0 3 322.767 3.175 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000970567050 655606659 /nfs/dbraw/zinc/60/66/59/655606659.db2.gz NSLLCBHRJUMQSR-ZYSHUDEJSA-N 0 3 312.457 3.111 20 30 DGEDHN C=C(Br)CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081557111 655612136 /nfs/dbraw/zinc/61/21/36/655612136.db2.gz JJWZNFVMFHFOSD-OAHLLOKOSA-N 0 3 309.251 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2sccc2C)C1 ZINC001021494994 655619895 /nfs/dbraw/zinc/61/98/95/655619895.db2.gz GFKQCRBIYJTNQJ-JKSUJKDBSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000970787531 655620759 /nfs/dbraw/zinc/62/07/59/655620759.db2.gz CMGFRSSCTMWFAA-KMYSJOAASA-N 0 3 316.489 3.215 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC2CCCC2)C1 ZINC001021508214 655622339 /nfs/dbraw/zinc/62/23/39/655622339.db2.gz HKCMWRGPOVAKME-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2=CCCCC2)C1 ZINC001021544154 655627039 /nfs/dbraw/zinc/62/70/39/655627039.db2.gz HUNUIAMKXOMMEU-OALUTQOASA-N 0 3 314.473 3.213 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC000970839858 655628618 /nfs/dbraw/zinc/62/86/18/655628618.db2.gz FLHJTNBSOAQPRI-OAHLLOKOSA-N 0 3 316.445 3.100 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cscc2C)C1 ZINC001021555429 655630786 /nfs/dbraw/zinc/63/07/86/655630786.db2.gz VDQMFORHBOOHGD-DOTOQJQBSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)C2CC2)C1 ZINC001021585353 655637250 /nfs/dbraw/zinc/63/72/50/655637250.db2.gz RQXTULXQXSXCJV-FUHWJXTLSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC000970931620 655638530 /nfs/dbraw/zinc/63/85/30/655638530.db2.gz ONCGWYDDHSQMJF-HZPDHXFCSA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2oc3ccccc3c2CC)C1 ZINC000970953574 655642204 /nfs/dbraw/zinc/64/22/04/655642204.db2.gz GJVVIJWMUXMICL-CQSZACIVSA-N 0 3 324.424 3.069 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCCCCC2)C1 ZINC001021679404 655654935 /nfs/dbraw/zinc/65/49/35/655654935.db2.gz NWPWAVLHJNDMPM-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2CCCCCC2)C1 ZINC001021679402 655654961 /nfs/dbraw/zinc/65/49/61/655654961.db2.gz NWPWAVLHJNDMPM-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2csc(C)c2)C1 ZINC001021690825 655656374 /nfs/dbraw/zinc/65/63/74/655656374.db2.gz KUGMXDCPQHSHDX-WBVHZDCISA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C)c2C)C1 ZINC001021726026 655664605 /nfs/dbraw/zinc/66/46/05/655664605.db2.gz YBDYUQFZNGQKLS-QUCCMNQESA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C)cc2C)C1 ZINC001021727747 655664815 /nfs/dbraw/zinc/66/48/15/655664815.db2.gz OFDYNAUZEFAZIS-ICSRJNTNSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C3CC3)c2)C1 ZINC001021739410 655668155 /nfs/dbraw/zinc/66/81/55/655668155.db2.gz JFVBIRFDDSIOQD-WOJBJXKFSA-N 0 3 322.452 3.124 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C3CC3)cc2)C1 ZINC001021744665 655669471 /nfs/dbraw/zinc/66/94/71/655669471.db2.gz XCOKSWOCLCBTPH-PMACEKPBSA-N 0 3 322.452 3.124 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000933172394 655688189 /nfs/dbraw/zinc/68/81/89/655688189.db2.gz NUPBRPBOGORLFB-HUUCEWRRSA-N 0 3 314.429 3.261 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)N2CCSc3ccccc32)CCC1 ZINC000933302690 655698569 /nfs/dbraw/zinc/69/85/69/655698569.db2.gz ZXXKJWMLYAVPGE-CQSZACIVSA-N 0 3 314.454 3.049 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCC1 ZINC000933302029 655698607 /nfs/dbraw/zinc/69/86/07/655698607.db2.gz DTNIINSYHMQTFZ-LLVKDONJSA-N 0 3 308.784 3.342 20 30 DGEDHN CC(C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1)=C1CCC1 ZINC000971506966 655702102 /nfs/dbraw/zinc/70/21/02/655702102.db2.gz CTRAXXWKWDGWRL-IBGZPJMESA-N 0 3 323.440 3.091 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(F)c3ccccc3c2)C1 ZINC000971647037 655716046 /nfs/dbraw/zinc/71/60/46/655716046.db2.gz JEKTWSAFUDXVFX-INIZCTEOSA-N 0 3 312.388 3.311 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001022302884 655728256 /nfs/dbraw/zinc/72/82/56/655728256.db2.gz RLXXGEYPOZWTGS-TXEJJXNPSA-N 0 3 320.811 3.191 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000971860714 655738919 /nfs/dbraw/zinc/73/89/19/655738919.db2.gz CYIQTAHZBDYSTR-LLVKDONJSA-N 0 3 318.364 3.099 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC000971952456 655750461 /nfs/dbraw/zinc/75/04/61/655750461.db2.gz JWOPXIJJNKWKTL-BBRMVZONSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000972079560 655763096 /nfs/dbraw/zinc/76/30/96/655763096.db2.gz OYGQUGVEYFRSTR-MRXNPFEDSA-N 0 3 304.409 3.071 20 30 DGEDHN N#CC(C(=O)CCc1ccccc1Cl)C(=O)NC1CCCC1 ZINC000051651322 655775717 /nfs/dbraw/zinc/77/57/17/655775717.db2.gz GDFPFNJDEFMCKQ-CQSZACIVSA-N 0 3 318.804 3.040 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972246592 655782370 /nfs/dbraw/zinc/78/23/70/655782370.db2.gz PRNQVQJBZWPOOD-PKOBYXMFSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001022767520 655783422 /nfs/dbraw/zinc/78/34/22/655783422.db2.gz BLIKNSLXELRRLM-AOOOYVTPSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001022777008 655785734 /nfs/dbraw/zinc/78/57/34/655785734.db2.gz BAWNYJICFINDCN-BMFZPTHFSA-N 0 3 306.837 3.088 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)C[C@@H]1C ZINC000947519956 655798810 /nfs/dbraw/zinc/79/88/10/655798810.db2.gz KADIACZHIHRSOB-JSGCOSHPSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C[C@@H]1C ZINC000947520374 655799339 /nfs/dbraw/zinc/79/93/39/655799339.db2.gz NYLSGXOMGAAUDB-JSGCOSHPSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)C[C@@H]1C ZINC000947532978 655807197 /nfs/dbraw/zinc/80/71/97/655807197.db2.gz OVDQIFLIUUDVRB-STQMWFEESA-N 0 3 308.372 3.042 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001023569834 655844157 /nfs/dbraw/zinc/84/41/57/655844157.db2.gz UHSRGVHCFFRCAK-HNNXBMFYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000972616029 655850243 /nfs/dbraw/zinc/85/02/43/655850243.db2.gz UTDGYJODBMXCBS-LBPRGKRZSA-N 0 3 312.335 3.096 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001023654011 655852760 /nfs/dbraw/zinc/85/27/60/655852760.db2.gz OVUGCOVGVCQKKB-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001023670266 655854019 /nfs/dbraw/zinc/85/40/19/655854019.db2.gz OMKJJHPQQPFLRL-FHWLQOOXSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001023700345 655856127 /nfs/dbraw/zinc/85/61/27/655856127.db2.gz MWQMPCLDAKIWJD-QGZVFWFLSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000972650453 655858781 /nfs/dbraw/zinc/85/87/81/655858781.db2.gz ISEFULXODAGCCP-OAHLLOKOSA-N 0 3 300.427 3.234 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001023765947 655863285 /nfs/dbraw/zinc/86/32/85/655863285.db2.gz GTWQFWGTHYBKJL-INIZCTEOSA-N 0 3 310.441 3.029 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001023767472 655863584 /nfs/dbraw/zinc/86/35/84/655863584.db2.gz GLXAKDJDFCITTD-HNNXBMFYSA-N 0 3 312.413 3.369 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001023772770 655864277 /nfs/dbraw/zinc/86/42/77/655864277.db2.gz BBWCVTAPGQNIQE-QHGAOEGBSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000972760640 655878499 /nfs/dbraw/zinc/87/84/99/655878499.db2.gz VSQFWIQDYMAWKS-CQSZACIVSA-N 0 3 320.864 3.336 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000255740954 655892679 /nfs/dbraw/zinc/89/26/79/655892679.db2.gz LWLUPSPMJPQOEI-YQNUULROSA-N 0 3 320.433 3.245 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001024530662 655913486 /nfs/dbraw/zinc/91/34/86/655913486.db2.gz IINJZOYVUWNAOD-MRXNPFEDSA-N 0 3 315.461 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001024544040 655915331 /nfs/dbraw/zinc/91/53/31/655915331.db2.gz OBYNLECLAFUOHY-INIZCTEOSA-N 0 3 304.434 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001024581874 655920257 /nfs/dbraw/zinc/92/02/57/655920257.db2.gz NOMVZOQDIHJPJG-INIZCTEOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001024620953 655925306 /nfs/dbraw/zinc/92/53/06/655925306.db2.gz GMVSLVGDLPGPSB-WMZOPIPTSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001024672108 655928668 /nfs/dbraw/zinc/92/86/68/655928668.db2.gz RVJRQASSCFQWBS-KRWDZBQOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001024673174 655928896 /nfs/dbraw/zinc/92/88/96/655928896.db2.gz JIDWQWPZZMUMPD-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001024695515 655931066 /nfs/dbraw/zinc/93/10/66/655931066.db2.gz AFJLXNWURVXYNA-GJZGRUSLSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024747254 655935707 /nfs/dbraw/zinc/93/57/07/655935707.db2.gz NRAWGSVQIQPJQF-INIZCTEOSA-N 0 3 315.461 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001024763090 655936404 /nfs/dbraw/zinc/93/64/04/655936404.db2.gz ZKKNOMGVTSMSJS-KRWDZBQOSA-N 0 3 317.477 3.374 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001024775843 655937865 /nfs/dbraw/zinc/93/78/65/655937865.db2.gz JSUGUJCPKUPQSE-HXUWFJFHSA-N 0 3 320.436 3.447 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001024782603 655938326 /nfs/dbraw/zinc/93/83/26/655938326.db2.gz LAWRKWHGRXCSKT-ACBHZAAOSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001024785163 655938663 /nfs/dbraw/zinc/93/86/63/655938663.db2.gz DOMVCGNHWXKFML-MRXNPFEDSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001024817484 655942742 /nfs/dbraw/zinc/94/27/42/655942742.db2.gz BSRIIMDZWTXOEZ-HIEASXQVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001024829172 655943565 /nfs/dbraw/zinc/94/35/65/655943565.db2.gz XHOCJTIYPCQCQZ-AWEZNQCLSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1F ZINC001025191634 655975093 /nfs/dbraw/zinc/97/50/93/655975093.db2.gz LXQKGDOOYWGNAI-ZWKOTPCHSA-N 0 3 316.420 3.471 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199300 655976584 /nfs/dbraw/zinc/97/65/84/655976584.db2.gz VJWOCCAUZBIJER-IAGOWNOFSA-N 0 3 302.418 3.233 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C ZINC001025202552 655978309 /nfs/dbraw/zinc/97/83/09/655978309.db2.gz ZBHWFRMGABCEBS-JKSUJKDBSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001025208836 655978734 /nfs/dbraw/zinc/97/87/34/655978734.db2.gz FNYGPRJMZRBTHM-RTBURBONSA-N 0 3 314.473 3.356 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025220614 655980706 /nfs/dbraw/zinc/98/07/06/655980706.db2.gz IGPRRHXDJIDFFJ-HOTGVXAUSA-N 0 3 306.425 3.119 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)sn1 ZINC001025224452 655981080 /nfs/dbraw/zinc/98/10/80/655981080.db2.gz QCPAPOPTCMHWCS-JKSUJKDBSA-N 0 3 319.474 3.097 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC(CC1)C2 ZINC001025245535 655984401 /nfs/dbraw/zinc/98/44/01/655984401.db2.gz NXRCXNOZIZUFBY-NNVNDSJASA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C2CC2)CCC1 ZINC001025254006 655985361 /nfs/dbraw/zinc/98/53/61/655985361.db2.gz CVPPOSDSRXINRZ-MSOLQXFVSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C2CC2)CCC1 ZINC001025254009 655985627 /nfs/dbraw/zinc/98/56/27/655985627.db2.gz CVPPOSDSRXINRZ-ZWKOTPCHSA-N 0 3 314.473 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001025256593 655985921 /nfs/dbraw/zinc/98/59/21/655985921.db2.gz YUBCOWDYYDJICE-SJORKVTESA-N 0 3 302.418 3.233 20 30 DGEDHN C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025346086 655997920 /nfs/dbraw/zinc/99/79/20/655997920.db2.gz RAQJIMOXPVXYAX-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025346086 655997922 /nfs/dbraw/zinc/99/79/22/655997922.db2.gz RAQJIMOXPVXYAX-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2nccc3ccccc32)C[C@@H]1C ZINC000947666779 656009824 /nfs/dbraw/zinc/00/98/24/656009824.db2.gz KNJJVPWOTVFINZ-HOCLYGCPSA-N 0 3 309.413 3.004 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2sc(C)cc2C)C1 ZINC001025429222 656010966 /nfs/dbraw/zinc/01/09/66/656010966.db2.gz AECVFCBJOIXDBC-CVEARBPZSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2coc3c2cccc3C)C1 ZINC001025438138 656012953 /nfs/dbraw/zinc/01/29/53/656012953.db2.gz CXAMEQCZAVEEAT-HZPDHXFCSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC001025473509 656018656 /nfs/dbraw/zinc/01/86/56/656018656.db2.gz FBZQHMQXZFVIOJ-GJZGRUSLSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC001025491801 656023284 /nfs/dbraw/zinc/02/32/84/656023284.db2.gz YUIFZOHJVBWMSX-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC001025491800 656023415 /nfs/dbraw/zinc/02/34/15/656023415.db2.gz YUIFZOHJVBWMSX-FUHWJXTLSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2occc2C(C)C)C1 ZINC001025517816 656027402 /nfs/dbraw/zinc/02/74/02/656027402.db2.gz ALICDKYNSXITBF-JKSUJKDBSA-N 0 3 316.445 3.257 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001025541221 656033150 /nfs/dbraw/zinc/03/31/50/656033150.db2.gz AKDXZRVBBOZLTO-YJBOKZPZSA-N 0 3 323.440 3.022 20 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CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049744185 656676219 /nfs/dbraw/zinc/67/62/19/656676219.db2.gz WJFNLZWKUQTVHL-MSOLQXFVSA-N 0 3 310.441 3.006 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(F)ccc1Cl ZINC001049746058 656677136 /nfs/dbraw/zinc/67/71/36/656677136.db2.gz CBZKEESDWXNQGP-HOTGVXAUSA-N 0 3 322.811 3.344 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@H](NCc3nccs3)C2)C1 ZINC000981319108 656677293 /nfs/dbraw/zinc/67/72/93/656677293.db2.gz NKAZAYUHFVEGOS-KBPBESRZSA-N 0 3 319.474 3.016 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049744187 656677469 /nfs/dbraw/zinc/67/74/69/656677469.db2.gz WJFNLZWKUQTVHL-ROUUACIJSA-N 0 3 310.441 3.006 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001049750426 656679419 /nfs/dbraw/zinc/67/94/19/656679419.db2.gz WPUAARCFOCFJML-ZWJWXYIHSA-N 0 3 316.489 3.454 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccccc3C3CCC3)C2)C1 ZINC001041809254 656679917 /nfs/dbraw/zinc/67/99/17/656679917.db2.gz 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C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@]1(C)CC=CCC1)C2 ZINC001045940283 657101009 /nfs/dbraw/zinc/10/10/09/657101009.db2.gz VIZHSUIQXNUAAA-WOJBJXKFSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)C1CCC1)C2 ZINC001045955963 657103923 /nfs/dbraw/zinc/10/39/23/657103923.db2.gz WRPUVPUJWYSIGX-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCCC3(C)C)CC2)CC1 ZINC001000238140 657105186 /nfs/dbraw/zinc/10/51/86/657105186.db2.gz ZUPYRZDDTMCOCB-KRWDZBQOSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@]1(C)C=CCC1)C2 ZINC001045959293 657105841 /nfs/dbraw/zinc/10/58/41/657105841.db2.gz MLSVRXJHDWZXEI-VQTJNVASSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC1(C)C)C2 ZINC001045959368 657106271 /nfs/dbraw/zinc/10/62/71/657106271.db2.gz NWRVPGLQALJDNF-YLJYHZDGSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(C=C)cc1)C2 ZINC001045968481 657109242 /nfs/dbraw/zinc/10/92/42/657109242.db2.gz PNOKGSIBPIEHGC-OAQYLSRUSA-N 0 3 322.452 3.281 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001045980596 657111233 /nfs/dbraw/zinc/11/12/33/657111233.db2.gz CWMOMCUCGLCSDQ-QWFCFKBJSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(CC)CC)C2 ZINC001045984591 657112781 /nfs/dbraw/zinc/11/27/81/657112781.db2.gz DYXPHWOYRGBVDK-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)c3coc4ccccc34)CC2)CC1 ZINC001000344964 657115358 /nfs/dbraw/zinc/11/53/58/657115358.db2.gz YPJWBNXLKOQOEU-UHFFFAOYSA-N 0 3 322.408 3.040 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001028685454 657144423 /nfs/dbraw/zinc/14/44/23/657144423.db2.gz PJAVGTOTUXXVFC-HNNXBMFYSA-N 0 3 324.399 3.054 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3scnc32)C1 ZINC001046316317 657145334 /nfs/dbraw/zinc/14/53/34/657145334.db2.gz OEECSUDMRZFCQC-QGZVFWFLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046338261 657148963 /nfs/dbraw/zinc/14/89/63/657148963.db2.gz RFWGJWHGKGQNNY-KRWDZBQOSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001046489748 657168136 /nfs/dbraw/zinc/16/81/36/657168136.db2.gz DUCWCWITOHHBRY-PKOBYXMFSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(CCC)cc2)C1 ZINC001046582304 657183249 /nfs/dbraw/zinc/18/32/49/657183249.db2.gz CKEISOFURPFHSX-IBGZPJMESA-N 0 3 300.446 3.409 20 30 DGEDHN C=CCCN1CC[C@](C)(NC(=O)c2cc3occc3s2)C1 ZINC001046621182 657189039 /nfs/dbraw/zinc/18/90/39/657189039.db2.gz URJJVMWYKCGXRD-INIZCTEOSA-N 0 3 304.415 3.265 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001046646473 657193352 /nfs/dbraw/zinc/19/33/52/657193352.db2.gz OCCOSEXILPYURR-INIZCTEOSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038409734 657199859 /nfs/dbraw/zinc/19/98/59/657199859.db2.gz HUUJYAQKPZHREP-MJGOQNOKSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046662064 657200566 /nfs/dbraw/zinc/20/05/66/657200566.db2.gz CXVIKGSKXGLIPV-IBGZPJMESA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 ZINC001001242281 657201300 /nfs/dbraw/zinc/20/13/00/657201300.db2.gz GAHUBDSPAHNUPA-HZPDHXFCSA-N 0 3 316.470 3.094 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001046739682 657209239 /nfs/dbraw/zinc/20/92/39/657209239.db2.gz SQZGEPFCAFJANR-FQEVSTJZSA-N 0 3 323.440 3.002 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc3sccc3c2)C1 ZINC001046744586 657211116 /nfs/dbraw/zinc/21/11/16/657211116.db2.gz YDBHFTSCLQNXFV-GOSISDBHSA-N 0 3 312.438 3.119 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001028885573 657211776 /nfs/dbraw/zinc/21/17/76/657211776.db2.gz ZGBXXSLBRGDDPY-MRXNPFEDSA-N 0 3 312.457 3.059 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001046768705 657215375 /nfs/dbraw/zinc/21/53/75/657215375.db2.gz DFQKDDZEAVQKPY-SFHVURJKSA-N 0 3 318.848 3.174 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2c(C)csc2Cl)CC1 ZINC001001401502 657215400 /nfs/dbraw/zinc/21/54/00/657215400.db2.gz ICNNOFOHVZMUBG-UHFFFAOYSA-N 0 3 310.850 3.258 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2csc3c2CCCC3)CC1 ZINC001001430850 657219406 /nfs/dbraw/zinc/21/94/06/657219406.db2.gz TVCFOPPEYQVJHO-UHFFFAOYSA-N 0 3 316.470 3.175 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001046808802 657224840 /nfs/dbraw/zinc/22/48/40/657224840.db2.gz ATAAJGLHNZEJQL-WMZOPIPTSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001046823306 657231058 /nfs/dbraw/zinc/23/10/58/657231058.db2.gz IJKLWEIFGNVJDD-SFHVURJKSA-N 0 3 303.450 3.066 20 30 DGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CC1 ZINC000126555208 657236543 /nfs/dbraw/zinc/23/65/43/657236543.db2.gz ASBJJDHPSXTGEP-LLVKDONJSA-N 0 3 310.325 3.059 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001046853582 657236760 /nfs/dbraw/zinc/23/67/60/657236760.db2.gz AESLDKRPUDAEQM-HXUWFJFHSA-N 0 3 324.424 3.267 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001046856109 657237604 /nfs/dbraw/zinc/23/76/04/657237604.db2.gz QAFUSXMXYPGPPF-UZLBHIALSA-N 0 3 312.457 3.418 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001046856106 657237885 /nfs/dbraw/zinc/23/78/85/657237885.db2.gz QAFUSXMXYPGPPF-OXJNMPFZSA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001050037191 657238578 /nfs/dbraw/zinc/23/85/78/657238578.db2.gz OVUPCKSDFMIYEA-JKSUJKDBSA-N 0 3 302.418 3.009 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001046881338 657242234 /nfs/dbraw/zinc/24/22/34/657242234.db2.gz QNROLOZYLXZJCA-QGZVFWFLSA-N 0 3 320.383 3.016 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001028974369 657246944 /nfs/dbraw/zinc/24/69/44/657246944.db2.gz HVSIFLHGQMWPFV-XBMUEBEBSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)sc3C)[C@@H]2C1 ZINC001050089706 657247483 /nfs/dbraw/zinc/24/74/83/657247483.db2.gz RGYSNVXBHAJTAE-GOEBONIOSA-N 0 3 304.459 3.087 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)[C@@H]2C1 ZINC001050100903 657249761 /nfs/dbraw/zinc/24/97/61/657249761.db2.gz XMMRFWAGTYZEDB-XFIJJGBISA-N 0 3 324.468 3.073 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cccc(F)c3Cl)[C@@H]2C1 ZINC001050150021 657259291 /nfs/dbraw/zinc/25/92/91/657259291.db2.gz PNXAVDQFCJUIGI-SWLSCSKDSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)[C@@H]2C1 ZINC001050196811 657268501 /nfs/dbraw/zinc/26/85/01/657268501.db2.gz MMVHUYQGXRQSOO-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(C)c(C)s3)[C@@H]2C1 ZINC001050197035 657268602 /nfs/dbraw/zinc/26/86/02/657268602.db2.gz CUVOUMJBTDGJGD-JKSUJKDBSA-N 0 3 318.486 3.477 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001047234179 657283816 /nfs/dbraw/zinc/28/38/16/657283816.db2.gz KJSVMNUGRCHMJB-ZWKOTPCHSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](C)C(C)(C)C)C2)CC1 ZINC001047245259 657285936 /nfs/dbraw/zinc/28/59/36/657285936.db2.gz YBPMYSLSCUSSMT-WMZOPIPTSA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(C)C(=C)C)C2)CC1 ZINC001047248099 657286110 /nfs/dbraw/zinc/28/61/10/657286110.db2.gz OOJQZFJKNPMRSN-GOSISDBHSA-N 0 3 316.489 3.173 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC3(C)C)C2)CC1 ZINC001047249971 657286677 /nfs/dbraw/zinc/28/66/77/657286677.db2.gz YDQORNAPYROORN-MSOLQXFVSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001047254024 657288317 /nfs/dbraw/zinc/28/83/17/657288317.db2.gz MGFWILJDQOEQPD-GOSISDBHSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C[C@@H]1C ZINC000947791567 657302857 /nfs/dbraw/zinc/30/28/57/657302857.db2.gz DPSFOOARJFXXOL-RPTYLJJZSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCN2C[C@@H](C)CC)cc1 ZINC001038427640 657304704 /nfs/dbraw/zinc/30/47/04/657304704.db2.gz KWAFHBFVMZTURW-DOTOQJQBSA-N 0 3 316.445 3.102 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C3CCC(C)(C)CC3)C2)CC1 ZINC001050769016 657359504 /nfs/dbraw/zinc/35/95/04/657359504.db2.gz IMXWSCXDSJCNEE-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)C3=CCCC3)cccc2C1 ZINC001051285153 657381348 /nfs/dbraw/zinc/38/13/48/657381348.db2.gz ATKUVLPRGBVUOL-UHFFFAOYSA-N 0 3 310.441 3.347 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@@H]3C[C@H]3CCC)cccc2C1 ZINC001051298811 657383132 /nfs/dbraw/zinc/38/31/32/657383132.db2.gz KOBAVDKFYPBHJK-OXQOHEQNSA-N 0 3 324.468 3.120 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354038 657391950 /nfs/dbraw/zinc/39/19/50/657391950.db2.gz LZVBUSKEKJOUQE-DZGCQCFKSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968366132 657395818 /nfs/dbraw/zinc/39/58/18/657395818.db2.gz SFVLRQMCRGFZDV-KBXCAEBGSA-N 0 3 311.429 3.184 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cscc2C(F)F)C[C@H]1C ZINC000947318535 657401734 /nfs/dbraw/zinc/40/17/34/657401734.db2.gz JUSWVAQRHKQNFM-GHMZBOCLSA-N 0 3 314.401 3.454 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC000968405862 657407365 /nfs/dbraw/zinc/40/73/65/657407365.db2.gz SQNLTPYBMDOEJH-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000968405691 657407640 /nfs/dbraw/zinc/40/76/40/657407640.db2.gz PLBLWZBHJVCBHJ-OXQOHEQNSA-N 0 3 322.452 3.110 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC000968583339 657433217 /nfs/dbraw/zinc/43/32/17/657433217.db2.gz MDKBYHZBSVBDMS-RHSMWYFYSA-N 0 3 316.445 3.175 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589274 657434806 /nfs/dbraw/zinc/43/48/06/657434806.db2.gz TZVOAOXLWRKQMH-AEFFLSMTSA-N 0 3 300.446 3.320 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC000968592011 657435040 /nfs/dbraw/zinc/43/50/40/657435040.db2.gz JHBAQPSMVFHLPA-AAEUAGOBSA-N 0 3 324.877 3.173 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC000968591763 657435111 /nfs/dbraw/zinc/43/51/11/657435111.db2.gz FJXPQNHXLMCFKA-GXTWGEPZSA-N 0 3 317.458 3.246 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968589223 657435305 /nfs/dbraw/zinc/43/53/05/657435305.db2.gz SNANGSYILZDGAT-FUHWJXTLSA-N 0 3 300.446 3.320 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000968598447 657437641 /nfs/dbraw/zinc/43/76/41/657437641.db2.gz FWSDASDOBXACJW-RYUDHWBXSA-N 0 3 312.360 3.234 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968610173 657441623 /nfs/dbraw/zinc/44/16/23/657441623.db2.gz OQOCGAAQQCUNIO-RYUDHWBXSA-N 0 3 312.866 3.418 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968614504 657442608 /nfs/dbraw/zinc/44/26/08/657442608.db2.gz LBNIVNWMKLCGGT-YOEHRIQHSA-N 0 3 320.864 3.285 20 30 DGEDHN 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CC#CCN1CCC[C@H](N(C)C(=O)[C@H](C)c2cccs2)CC1 ZINC000948770455 659183553 /nfs/dbraw/zinc/18/35/53/659183553.db2.gz IUPPAPDMRNQHHJ-CVEARBPZSA-N 0 3 318.486 3.188 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC000170672388 659225633 /nfs/dbraw/zinc/22/56/33/659225633.db2.gz WKZRNZFQPHEXOS-HIFRSBDPSA-N 0 3 318.392 3.335 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000947997383 659237555 /nfs/dbraw/zinc/23/75/55/659237555.db2.gz ABDUGLSTBIOJHY-DGCLKSJQSA-N 0 3 310.800 3.248 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C[C@@H]1C ZINC000948006929 659268923 /nfs/dbraw/zinc/26/89/23/659268923.db2.gz MUNGBQOUYUZVLA-PKOBYXMFSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2scc(C)c2Cl)C[C@H]1C ZINC000947337488 659269644 /nfs/dbraw/zinc/26/96/44/659269644.db2.gz AMMBJKWLGZXUEE-CHWSQXEVSA-N 0 3 324.877 3.316 20 30 DGEDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(OCC#N)cc2)o1 ZINC000171769523 659298061 /nfs/dbraw/zinc/29/80/61/659298061.db2.gz FMMRHQXWEKMBTR-UHFFFAOYSA-N 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Cc1nnc([C@@H]2CCCN(Cc3cc(Cl)cc(C#N)c3)C2)[nH]1 ZINC000929839058 661343146 /nfs/dbraw/zinc/34/31/46/661343146.db2.gz SWUCXGNDQBBFHG-CQSZACIVSA-N 0 3 315.808 3.018 20 30 DGEDHN C[C@H]1CN(Cc2cncc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000930147295 661370998 /nfs/dbraw/zinc/37/09/98/661370998.db2.gz BVVYNTVUXKKNFG-IRXDYDNUSA-N 0 3 320.440 3.048 20 30 DGEDHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCCCC1(C#N)CCC1 ZINC000930253069 661382293 /nfs/dbraw/zinc/38/22/93/661382293.db2.gz KJZVVCMBBIPZSR-JYJNAYRXSA-N 0 3 304.434 3.124 20 30 DGEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCCC1(C#N)CCC1 ZINC000930253070 661382511 /nfs/dbraw/zinc/38/25/11/661382511.db2.gz KJZVVCMBBIPZSR-OAGGEKHMSA-N 0 3 304.434 3.124 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2C)N(C)C)cc1 ZINC000930912506 661438668 /nfs/dbraw/zinc/43/86/68/661438668.db2.gz SRCSASFFWMRNBL-IBGZPJMESA-N 0 3 321.424 3.208 20 30 DGEDHN CCc1onc(C)c1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000931112929 661453025 /nfs/dbraw/zinc/45/30/25/661453025.db2.gz LGCGVOLXGOPILX-UHFFFAOYSA-N 0 3 310.401 3.192 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1c(F)cccc1SCC ZINC000931501312 661482962 /nfs/dbraw/zinc/48/29/62/661482962.db2.gz XHRZMBCTSIRTCQ-UHFFFAOYSA-N 0 3 323.437 3.014 20 30 DGEDHN N#Cc1cncc(CN2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC000931761170 661505897 /nfs/dbraw/zinc/50/58/97/661505897.db2.gz PTLCZFBZXHAWLN-SFHVURJKSA-N 0 3 313.445 3.393 20 30 DGEDHN N#Cc1ccsc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000931843976 661515335 /nfs/dbraw/zinc/51/53/35/661515335.db2.gz VOHOYIYPIJNJTO-UHFFFAOYSA-N 0 3 318.446 3.102 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)s1 ZINC000931909287 661520688 /nfs/dbraw/zinc/52/06/88/661520688.db2.gz XFPMBSXNCCHXIB-QAPCUYQASA-N 0 3 310.422 3.020 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(CC(C)C)s2)CC1 ZINC000932144471 661542047 /nfs/dbraw/zinc/54/20/47/661542047.db2.gz SIAQVPZVWDHNIG-UHFFFAOYSA-N 0 3 321.490 3.112 20 30 DGEDHN Cc1nc(CC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)no1 ZINC000932243646 661552529 /nfs/dbraw/zinc/55/25/29/661552529.db2.gz BYIGCWUXOBVAEF-ZDUSSCGKSA-N 0 3 310.401 3.265 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000932693428 661591973 /nfs/dbraw/zinc/59/19/73/661591973.db2.gz MYYDUCSVOWIGEF-HNNXBMFYSA-N 0 3 304.434 3.305 20 30 DGEDHN C#CCC1(NCC(=O)Nc2c(C)cc(C)cc2Cl)CCC1 ZINC000933298868 661628350 /nfs/dbraw/zinc/62/83/50/661628350.db2.gz MFIAFAOVFKOAPR-UHFFFAOYSA-N 0 3 304.821 3.431 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c(Cl)c1 ZINC000933364166 661630486 /nfs/dbraw/zinc/63/04/86/661630486.db2.gz SORQRPDDTKFOHF-GFCCVEGCSA-N 0 3 317.820 3.093 20 30 DGEDHN O=C1C=COC2(CCN(CCOC3CCCCCC3)CC2)C1 ZINC000933651562 661648121 /nfs/dbraw/zinc/64/81/21/661648121.db2.gz MAMMKBBEKLIXDR-UHFFFAOYSA-N 0 3 307.434 3.064 20 30 DGEDHN Cc1ccc(C)c(OCCN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933654522 661648718 /nfs/dbraw/zinc/64/87/18/661648718.db2.gz YFIOJCQERWYWCY-UHFFFAOYSA-N 0 3 315.413 3.020 20 30 DGEDHN C=CC[C@H]1CCN1[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000934463308 661708348 /nfs/dbraw/zinc/70/83/48/661708348.db2.gz YAHHCKREVXEHPY-DOTOQJQBSA-N 0 3 320.383 3.106 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837662 661739606 /nfs/dbraw/zinc/73/96/06/661739606.db2.gz VHFQNBAGTXYNMN-GDBMZVCRSA-N 0 3 302.393 3.336 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000935888461 661817784 /nfs/dbraw/zinc/81/77/84/661817784.db2.gz QBYQXAVHADMKMP-PBHICJAKSA-N 0 3 304.434 3.016 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CCC)s2)C[C@@H]1C ZINC000947358103 661904325 /nfs/dbraw/zinc/90/43/25/661904325.db2.gz YZBXTJLNCGIMHR-KBPBESRZSA-N 0 3 306.475 3.469 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)C[C@@H]1C ZINC000947404362 661907049 /nfs/dbraw/zinc/90/70/49/661907049.db2.gz OBGOGVMGFVXFNZ-IRXDYDNUSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C[C@@H]1C ZINC000947411304 661907630 /nfs/dbraw/zinc/90/76/30/661907630.db2.gz GDZOWGXZAOJKHC-DSLXNQLJSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3c2CCCCC3)C[C@@H]1C ZINC000947422250 661908155 /nfs/dbraw/zinc/90/81/55/661908155.db2.gz YXAMKVJQPPSWLK-FUHWJXTLSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)C[C@@H]1C ZINC000947519911 661913758 /nfs/dbraw/zinc/91/37/58/661913758.db2.gz JNJZIUZCVKJKCQ-WCQYABFASA-N 0 3 310.800 3.248 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000947551281 661915713 /nfs/dbraw/zinc/91/57/13/661915713.db2.gz HZBOXZLVIOXDPO-WMLDXEAASA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C(C)C)C[C@H]1C ZINC000947584926 661918056 /nfs/dbraw/zinc/91/80/56/661918056.db2.gz OMXUYJKKYDWMCX-CVEARBPZSA-N 0 3 315.461 3.282 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)C[C@H]1C ZINC000947736228 661928037 /nfs/dbraw/zinc/92/80/37/661928037.db2.gz VLSSVOVDORZSOU-CABCVRRESA-N 0 3 318.848 3.254 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000947745068 661928378 /nfs/dbraw/zinc/92/83/78/661928378.db2.gz BVORNSPGTTVCGY-LRDDRELGSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)C[C@@H]1C ZINC000947745295 661928865 /nfs/dbraw/zinc/92/88/65/661928865.db2.gz DVABXWMXAVXFSY-AAEUAGOBSA-N 0 3 310.800 3.248 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C[C@@H]1C ZINC000947842724 661934012 /nfs/dbraw/zinc/93/40/12/661934012.db2.gz WSWQXKOEYVKBLN-CADBVGFASA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947998008 661943610 /nfs/dbraw/zinc/94/36/10/661943610.db2.gz HLJOMZBWGXTLPD-RYUDHWBXSA-N 0 3 310.850 3.008 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C[C@@H]1C ZINC000948032117 661945417 /nfs/dbraw/zinc/94/54/17/661945417.db2.gz QZRATJMDSPCFFV-GXTWGEPZSA-N 0 3 321.490 3.344 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2C(C)C)C[C@H]1C ZINC000948061161 661946798 /nfs/dbraw/zinc/94/67/98/661946798.db2.gz PMNCUAGEWFGINO-CABCVRRESA-N 0 3 318.486 3.478 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)CC2CCCCC2)CC1 ZINC000948165449 661956500 /nfs/dbraw/zinc/95/65/00/661956500.db2.gz MWAACIWPSCAOMY-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccsc2C)CC1 ZINC000948353992 661970534 /nfs/dbraw/zinc/97/05/34/661970534.db2.gz OBFJIDRDLQQKDK-HNNXBMFYSA-N 0 3 304.459 3.006 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000948595475 661985431 /nfs/dbraw/zinc/98/54/31/661985431.db2.gz ZHDXAOBLJRFYSD-MRXNPFEDSA-N 0 3 323.440 3.118 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC001006434855 661991886 /nfs/dbraw/zinc/99/18/86/661991886.db2.gz KCOXGPPHCXBUJV-CQSZACIVSA-N 0 3 304.409 3.038 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000948759015 661995490 /nfs/dbraw/zinc/99/54/90/661995490.db2.gz PLRWHJVRBJROCT-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C)cc2F)CC1 ZINC000948804034 661999264 /nfs/dbraw/zinc/99/92/64/661999264.db2.gz ALIJMEQESMELBE-MRXNPFEDSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C)ccc2F)CC1 ZINC000948804877 661999430 /nfs/dbraw/zinc/99/94/30/661999430.db2.gz SNFXTIIRYCCAET-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(Cl)cs2)CC1 ZINC000948829052 662001213 /nfs/dbraw/zinc/00/12/13/662001213.db2.gz CGVTUSNXRBDWOS-AWEZNQCLSA-N 0 3 324.877 3.351 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000948902840 662005894 /nfs/dbraw/zinc/00/58/94/662005894.db2.gz VUGKJTVEAULSEK-WCIQWLHISA-N 0 3 324.468 3.324 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1CC(C)C1 ZINC000948906125 662006539 /nfs/dbraw/zinc/00/65/39/662006539.db2.gz JDJVRWYPFLTEIF-GXOAENINSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC000949433091 662015884 /nfs/dbraw/zinc/01/58/84/662015884.db2.gz AXNSLOHNMKVKKP-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000077468287 662028092 /nfs/dbraw/zinc/02/80/92/662028092.db2.gz GPVZNKCUVLULET-HXUWFJFHSA-N 0 3 309.409 3.302 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1 ZINC000191193612 662056294 /nfs/dbraw/zinc/05/62/94/662056294.db2.gz UTUXUMWOSSBJMJ-UHFFFAOYSA-N 0 3 315.461 3.426 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC001006463373 662089063 /nfs/dbraw/zinc/08/90/63/662089063.db2.gz PUGXXAUVDRSSHA-UHFFFAOYSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCN(C)C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000192218995 662092074 /nfs/dbraw/zinc/09/20/74/662092074.db2.gz YWIUYDVZHMLCMO-SFTDATJTSA-N 0 3 323.436 3.027 20 30 DGEDHN N#Cc1ccccc1CNC[C@@H]1CCC[C@H]1NC(=O)C1=CCCC1 ZINC001036980345 662216936 /nfs/dbraw/zinc/21/69/36/662216936.db2.gz HIFDLWHSHFKSMP-RBUKOAKNSA-N 0 3 323.440 3.043 20 30 DGEDHN N#CC(C(=O)CCSc1ccccn1)c1nc2ccccc2[nH]1 ZINC000088800627 662234909 /nfs/dbraw/zinc/23/49/09/662234909.db2.gz BNTLWJNJLUNMHG-LBPRGKRZSA-N 0 3 322.393 3.317 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)C[C@@H]1C ZINC000947825696 685331374 /nfs/dbraw/zinc/33/13/74/685331374.db2.gz VPGDUJHWHCAFST-YOEHRIQHSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C(C)(CC)CC)C[C@@H](C)O2 ZINC001071244181 686602474 /nfs/dbraw/zinc/60/24/74/686602474.db2.gz QRTBLOWCQDPMGE-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001071381652 686648529 /nfs/dbraw/zinc/64/85/29/686648529.db2.gz RKCOJCPTXLIBGG-OCCSQVGLSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)cccc2C)CC[C@H]1C ZINC001071542804 686684962 /nfs/dbraw/zinc/68/49/62/686684962.db2.gz ILDACRUSUMFCEU-MSOLQXFVSA-N 0 3 314.473 3.391 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc(Cl)c2C)CC[C@@H]1C ZINC001071583792 686694743 /nfs/dbraw/zinc/69/47/43/686694743.db2.gz KSJRYWMYNOJZJQ-JSGCOSHPSA-N 0 3 321.852 3.202 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)cccc2Cl)CC[C@@H]1C ZINC001071649174 686712533 /nfs/dbraw/zinc/71/25/33/686712533.db2.gz VOHLRCIEHUDZAQ-LSDHHAIUSA-N 0 3 320.864 3.346 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc(COC)cs2)CC[C@@H]1C ZINC001071650824 686712713 /nfs/dbraw/zinc/71/27/13/686712713.db2.gz DFBIVKHIDMKLOZ-DZGCQCFKSA-N 0 3 322.474 3.053 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)CC[C@H]1C ZINC001071712450 686729399 /nfs/dbraw/zinc/72/93/99/686729399.db2.gz OCUAAQHAHIYDEN-WBVHZDCISA-N 0 3 323.440 3.082 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)CC[C@@H]1C ZINC001071712449 686729860 /nfs/dbraw/zinc/72/98/60/686729860.db2.gz OCUAAQHAHIYDEN-RDJZCZTQSA-N 0 3 323.440 3.082 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)c2cccs2)CC[C@H]1C ZINC001071741115 686738563 /nfs/dbraw/zinc/73/85/63/686738563.db2.gz DUXWDZMGDALFGN-CABCVRRESA-N 0 3 318.486 3.018 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C(C2CCC2)C2CCC2)CC[C@H]1C ZINC001071771891 686746287 /nfs/dbraw/zinc/74/62/87/686746287.db2.gz AZPFFPNYOBAUGM-CRAIPNDOSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)c(C)c2)CC[C@@H]1C ZINC001071792413 686755484 /nfs/dbraw/zinc/75/54/84/686755484.db2.gz IYHFSOVVFORKEP-HOCLYGCPSA-N 0 3 318.848 3.254 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@@H]1C ZINC001071792534 686756132 /nfs/dbraw/zinc/75/61/32/686756132.db2.gz KPFRSFYGALAELZ-PKOBYXMFSA-N 0 3 314.473 3.391 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC(F)(F)CC2)CC[C@@H]1C ZINC001071844591 686769535 /nfs/dbraw/zinc/76/95/35/686769535.db2.gz PJIPMGHPSLMRHJ-DZGCQCFKSA-N 0 3 314.420 3.357 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OCC)c2)CC[C@H]1C ZINC001071854990 686771955 /nfs/dbraw/zinc/77/19/55/686771955.db2.gz JDDGWFKWHJYPFF-WBVHZDCISA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2scnc2C(C)C)CC[C@H]1C ZINC001071883394 686780492 /nfs/dbraw/zinc/78/04/92/686780492.db2.gz KMLAAERENQCFGL-ZIAGYGMSSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2sc(CC)nc2C)CC[C@H]1C ZINC001071891146 686783775 /nfs/dbraw/zinc/78/37/75/686783775.db2.gz XPZRRZBXGIJPBN-TZMCWYRMSA-N 0 3 321.490 3.173 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@@H]1C ZINC001071893747 686784774 /nfs/dbraw/zinc/78/47/74/686784774.db2.gz SJNFUNZLVCRQDZ-RDJZCZTQSA-N 0 3 316.445 3.162 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC[C@@H]1C ZINC001071935206 686792287 /nfs/dbraw/zinc/79/22/87/686792287.db2.gz YQVACGOHICLMFL-VJANTYMQSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2cccc3ccncc32)CC[C@H]1C ZINC001071957606 686796046 /nfs/dbraw/zinc/79/60/46/686796046.db2.gz KXLVFPZPBQBADW-ZBFHGGJFSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3ccncc32)CC[C@@H]1C ZINC001071957259 686796093 /nfs/dbraw/zinc/79/60/93/686796093.db2.gz GCLKPEMGWVCIIY-DOTOQJQBSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2COC)CC[C@H]1C ZINC001071990553 686806835 /nfs/dbraw/zinc/80/68/35/686806835.db2.gz AMRUBALDGBGFCB-UKRRQHHQSA-N 0 3 322.474 3.053 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2OC)CC[C@@H]1C ZINC001072002002 686811187 /nfs/dbraw/zinc/81/11/87/686811187.db2.gz IGRJPUMDUYEZSD-JKSUJKDBSA-N 0 3 316.445 3.162 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)CC[C@@H]1C ZINC001072003575 686811914 /nfs/dbraw/zinc/81/19/14/686811914.db2.gz VXKNFNYSECGVOM-JXFKEZNVSA-N 0 3 322.452 3.252 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc3[nH]ccc3s2)CC[C@H]1C ZINC001072030863 686832052 /nfs/dbraw/zinc/83/20/52/686832052.db2.gz XCAVUVIXFKPRQS-CHWSQXEVSA-N 0 3 317.458 3.388 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2C)CC[C@@H]1C ZINC001072038031 686836903 /nfs/dbraw/zinc/83/69/03/686836903.db2.gz ZJQLJWBXHWSEHE-DOTOQJQBSA-N 0 3 300.446 3.462 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccccc2Cl)CC[C@@H]1C ZINC001072052423 686847786 /nfs/dbraw/zinc/84/77/86/686847786.db2.gz MQYPIXAUVWFMSM-ZFWWWQNUSA-N 0 3 306.837 3.038 20 30 DGEDHN C=CCN1C[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)CC[C@@H]1C ZINC001072072939 686856903 /nfs/dbraw/zinc/85/69/03/686856903.db2.gz QXDDPPZOJUOJPE-DOTOQJQBSA-N 0 3 323.440 3.450 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)c3c2CCC3)CC[C@@H]1C ZINC001072105515 686869362 /nfs/dbraw/zinc/86/93/62/686869362.db2.gz JARIIAJYEZDJCZ-DLBZAZTESA-N 0 3 324.468 3.090 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)c3ccc(Cl)cc3)C2)C1 ZINC001072941355 686987726 /nfs/dbraw/zinc/98/77/26/686987726.db2.gz LXFNTMGMUDIELM-CQSZACIVSA-N 0 3 318.848 3.164 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@]3(c4ccccc4)CC3(C)C)C2)C1 ZINC001073072294 687008535 /nfs/dbraw/zinc/00/85/35/687008535.db2.gz HJWAKWIDQLPAID-NRFANRHFSA-N 0 3 324.468 3.075 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](F)CC3CCCCC3)C2)C1 ZINC001073129105 687015490 /nfs/dbraw/zinc/01/54/90/687015490.db2.gz HRAPEVOQOFBLMD-INIZCTEOSA-N 0 3 308.441 3.015 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(c4ccccc4)CCCC3)C2)C1 ZINC001073406862 687190135 /nfs/dbraw/zinc/19/01/35/687190135.db2.gz VYCHEQMGRSCUHK-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3coc4ccc(C)cc34)[C@@H]2C1 ZINC001075842807 687448121 /nfs/dbraw/zinc/44/81/21/687448121.db2.gz DJATYVWWQQEBFN-MAUKXSAKSA-N 0 3 324.424 3.002 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2C1 ZINC001076008764 687465907 /nfs/dbraw/zinc/46/59/07/687465907.db2.gz GUIRAFKVOKJOMK-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001076225452 687498059 /nfs/dbraw/zinc/49/80/59/687498059.db2.gz LSSMZZQGYZUOBO-UWWQBHOKSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cc(C)oc3C)[C@@H]2C1 ZINC001076367179 687514746 /nfs/dbraw/zinc/51/47/46/687514746.db2.gz XEUWGAPRRYOTHQ-QILLFSRXSA-N 0 3 316.445 3.109 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCC=C4)[C@@H]2C1 ZINC001076465598 687526053 /nfs/dbraw/zinc/52/60/53/687526053.db2.gz MTBOKPDTOZJKAZ-VQTJNVASSA-N 0 3 322.452 3.368 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001076587265 687540964 /nfs/dbraw/zinc/54/09/64/687540964.db2.gz AIKJHHYRXOSZEY-QILLFSRXSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3)[C@@H]2C1 ZINC001076601991 687541510 /nfs/dbraw/zinc/54/15/10/687541510.db2.gz RNPAXPJRBGCWPM-UWWQBHOKSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001076631280 687545882 /nfs/dbraw/zinc/54/58/82/687545882.db2.gz REWCFHARUBMMMO-WMLDXEAASA-N 0 3 310.397 3.155 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)C12CCC2 ZINC001078531407 687677446 /nfs/dbraw/zinc/67/74/46/687677446.db2.gz LZHBOWPXAIGKBX-HUUCEWRRSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2CC(C)(C)C2)C12CCC2 ZINC001078617243 687690022 /nfs/dbraw/zinc/69/00/22/687690022.db2.gz JGLWQBFJUMSOMC-ZIAGYGMSSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccsc2C)C12CCC2 ZINC001078619266 687690875 /nfs/dbraw/zinc/69/08/75/687690875.db2.gz GJSQWUIXRBLASY-KBPBESRZSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(F)CCCC2)C12CCC2 ZINC001078663919 687699508 /nfs/dbraw/zinc/69/95/08/687699508.db2.gz WGVPUARIAAYDJC-STQMWFEESA-N 0 3 314.832 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CC(=C)C2)C12CCC2 ZINC001078720138 687713509 /nfs/dbraw/zinc/71/35/09/687713509.db2.gz GVYKPVUCNWMYHJ-KBPBESRZSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)C12CCC2 ZINC001078736120 687717169 /nfs/dbraw/zinc/71/71/69/687717169.db2.gz FDKTWGXTJYIZHS-HUUCEWRRSA-N 0 3 321.852 3.015 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001079897272 687901435 /nfs/dbraw/zinc/90/14/35/687901435.db2.gz CRCIZUPRFLXRHS-CHWSQXEVSA-N 0 3 321.490 3.067 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001080040066 687912944 /nfs/dbraw/zinc/91/29/44/687912944.db2.gz ZNAUYAXOESLQNI-CXAGYDPISA-N 0 3 304.409 3.014 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CCCC)cc2)C1 ZINC001080060113 687915690 /nfs/dbraw/zinc/91/56/90/687915690.db2.gz JSNQZNPPOOLDGF-VQIMIIECSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001080093659 687919036 /nfs/dbraw/zinc/91/90/36/687919036.db2.gz PKUITHLAOCBPHC-DNVCBOLYSA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001080197799 687928669 /nfs/dbraw/zinc/92/86/69/687928669.db2.gz NSKWRUYTXLPJKE-CRAIPNDOSA-N 0 3 324.424 3.123 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001080209939 687929964 /nfs/dbraw/zinc/92/99/64/687929964.db2.gz KGBCZHHXSOXVON-RHSMWYFYSA-N 0 3 315.461 3.140 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001080508945 687989420 /nfs/dbraw/zinc/98/94/20/687989420.db2.gz URHGNMMXNUOETL-BXUZGUMPSA-N 0 3 310.800 3.105 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001080595737 687998808 /nfs/dbraw/zinc/99/88/08/687998808.db2.gz LBQXOLPUTGGGDJ-VJUNAUMWSA-N 0 3 318.848 3.066 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001080653962 688007059 /nfs/dbraw/zinc/00/70/59/688007059.db2.gz YXZTXRNTBITWMA-CRAIPNDOSA-N 0 3 312.457 3.058 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001080830785 688018392 /nfs/dbraw/zinc/01/83/92/688018392.db2.gz MPLOQQHFFPMMKP-BXUZGUMPSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001081009076 688033104 /nfs/dbraw/zinc/03/31/04/688033104.db2.gz QLTUPOAALXVYRQ-RDTXWAMCSA-N 0 3 311.429 3.103 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001081007713 688033897 /nfs/dbraw/zinc/03/38/97/688033897.db2.gz FEIOSARKEHUDMW-GPMSIDNRSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082721622 688124114 /nfs/dbraw/zinc/12/41/14/688124114.db2.gz BNJOWBIGOJKBMS-BJZITVGISA-N 0 3 318.436 3.365 20 30 DGEDHN C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@@H](N)CCCCC#N ZINC001576863012 1191872743 /nfs/dbraw/zinc/87/27/43/1191872743.db2.gz RPRUGZMVAMRNCF-RISCZKNCSA-N 0 3 305.809 3.029 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1c1nc(C)no1 ZINC001577426454 1191900825 /nfs/dbraw/zinc/90/08/25/1191900825.db2.gz OXERMGGGOZJVSG-GJZGRUSLSA-N 0 3 322.453 3.119 20 30 DGEDHN CCc1c(C)sc(NC(=O)C2(N)CC3(CCC3)C2)c1C#N ZINC001578244551 1191933453 /nfs/dbraw/zinc/93/34/53/1191933453.db2.gz BMBCIDWIUKGPKG-UHFFFAOYSA-N 0 3 303.431 3.091 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@H](N)C2CCCCCC2)cc1 ZINC001578252862 1191934251 /nfs/dbraw/zinc/93/42/51/1191934251.db2.gz SKQBJLJFIBPVIG-ZWKOTPCHSA-N 0 3 313.445 3.228 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001580049075 1192004785 /nfs/dbraw/zinc/00/47/85/1192004785.db2.gz GUBVWEKVDCBTDC-KSZLIROESA-N 0 3 313.445 3.098 20 30 DGEDHN CC(C)N(CCN(C)C(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC001620597748 1192025444 /nfs/dbraw/zinc/02/54/44/1192025444.db2.gz FVLMSNABMRIJHH-UHFFFAOYSA-N 0 3 309.454 3.258 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001584331992 1192190451 /nfs/dbraw/zinc/19/04/51/1192190451.db2.gz XVPNDAPOLAPKDQ-NUJGCVRESA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588539592 1192449533 /nfs/dbraw/zinc/44/95/33/1192449533.db2.gz QTCORWHFTNDPAU-MNOVXSKESA-N 0 3 305.813 3.210 20 30 DGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588539592 1192449536 /nfs/dbraw/zinc/44/95/36/1192449536.db2.gz QTCORWHFTNDPAU-MNOVXSKESA-N 0 3 305.813 3.210 20 30 DGEDHN C=CC[C@H]1[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001588564415 1192449760 /nfs/dbraw/zinc/44/97/60/1192449760.db2.gz NCZGBKNJADDVSG-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@H]1[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001588564415 1192449761 /nfs/dbraw/zinc/44/97/61/1192449761.db2.gz NCZGBKNJADDVSG-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@H]1[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001588564415 1192449763 /nfs/dbraw/zinc/44/97/63/1192449763.db2.gz NCZGBKNJADDVSG-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@H]1[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001588564415 1192449764 /nfs/dbraw/zinc/44/97/64/1192449764.db2.gz NCZGBKNJADDVSG-MRXNPFEDSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2F)CCCCC1 ZINC001588556836 1192450150 /nfs/dbraw/zinc/45/01/50/1192450150.db2.gz GEQMMEKLKZMLHD-UHFFFAOYSA-N 0 3 315.396 3.374 20 30 DGEDHN C=CCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2F)CCCCC1 ZINC001588556836 1192450153 /nfs/dbraw/zinc/45/01/53/1192450153.db2.gz GEQMMEKLKZMLHD-UHFFFAOYSA-N 0 3 315.396 3.374 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588560130 1192450742 /nfs/dbraw/zinc/45/07/42/1192450742.db2.gz NPEZGGIPVFPHEI-NVXWUHKLSA-N 0 3 311.433 3.134 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588560130 1192450745 /nfs/dbraw/zinc/45/07/45/1192450745.db2.gz NPEZGGIPVFPHEI-NVXWUHKLSA-N 0 3 311.433 3.134 20 30 DGEDHN C=CCC1([NH2+]Cc2cc(-c3nnn[n-]3)cs2)CCCCC1 ZINC001588557299 1192450835 /nfs/dbraw/zinc/45/08/35/1192450835.db2.gz JVGAFVXKSCFJIM-UHFFFAOYSA-N 0 3 303.435 3.297 20 30 DGEDHN C=CCC1([NH2+]Cc2cc(-c3nn[n-]n3)cs2)CCCCC1 ZINC001588557299 1192450838 /nfs/dbraw/zinc/45/08/38/1192450838.db2.gz JVGAFVXKSCFJIM-UHFFFAOYSA-N 0 3 303.435 3.297 20 30 DGEDHN C=CC[N@@H+](CCCC(C)(F)F)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588631868 1192451990 /nfs/dbraw/zinc/45/19/90/1192451990.db2.gz CXZXNYLBFRCNTB-UHFFFAOYSA-N 0 3 321.375 3.290 20 30 DGEDHN C=CC[N@H+](CCCC(C)(F)F)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588631868 1192451997 /nfs/dbraw/zinc/45/19/97/1192451997.db2.gz CXZXNYLBFRCNTB-UHFFFAOYSA-N 0 3 321.375 3.290 20 30 DGEDHN C=CC[N@@H+](CCCC(C)(F)F)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588631868 1192452001 /nfs/dbraw/zinc/45/20/01/1192452001.db2.gz CXZXNYLBFRCNTB-UHFFFAOYSA-N 0 3 321.375 3.290 20 30 DGEDHN C=CC[N@H+](CCCC(C)(F)F)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588631868 1192452002 /nfs/dbraw/zinc/45/20/02/1192452002.db2.gz CXZXNYLBFRCNTB-UHFFFAOYSA-N 0 3 321.375 3.290 20 30 DGEDHN C=CCCCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001594720269 1192647622 /nfs/dbraw/zinc/64/76/22/1192647622.db2.gz HLOMGRSOVPNJHX-GJZGRUSLSA-N 0 3 317.481 3.041 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001671487031 1176149093 /nfs/dbraw/zinc/14/90/93/1176149093.db2.gz JDNGXUAUNGBLLG-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001671342934 1176168823 /nfs/dbraw/zinc/16/88/23/1176168823.db2.gz YSHZNMPHQCNDSU-LBPRGKRZSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001670655929 1176203492 /nfs/dbraw/zinc/20/34/92/1176203492.db2.gz DHBTWSDWDFQGQK-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC001691797280 1176227738 /nfs/dbraw/zinc/22/77/38/1176227738.db2.gz SROSXKDYNGWFFJ-WBVHZDCISA-N 0 3 312.413 3.325 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001670719537 1176232392 /nfs/dbraw/zinc/23/23/92/1176232392.db2.gz RQVJTGONAVBGPE-AWEZNQCLSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001772542115 1176273734 /nfs/dbraw/zinc/27/37/34/1176273734.db2.gz UQXORBATHXKWAT-GOSISDBHSA-N 0 3 315.461 3.397 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC001691060870 1176285457 /nfs/dbraw/zinc/28/54/57/1176285457.db2.gz AOECAVWOPKQEKM-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001691069241 1176291270 /nfs/dbraw/zinc/29/12/70/1176291270.db2.gz XDBYXCFOXNTSTL-DLBZAZTESA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001691068120 1176291950 /nfs/dbraw/zinc/29/19/50/1176291950.db2.gz HRABPKXTYZUVQR-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)CC(F)(F)F ZINC001691067964 1176292065 /nfs/dbraw/zinc/29/20/65/1176292065.db2.gz DKUQOYQIHRNEDA-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1[C@H]1CCc2c1cccc2F ZINC001691069969 1176292777 /nfs/dbraw/zinc/29/27/77/1176292777.db2.gz SNTQZIBBNBDLJP-KDOFPFPSSA-N 0 3 316.420 3.360 20 30 DGEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001691087310 1176302326 /nfs/dbraw/zinc/30/23/26/1176302326.db2.gz MNYAKIZQUQRMMG-XDQVBPFNSA-N 0 3 319.836 3.045 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001691098097 1176309631 /nfs/dbraw/zinc/30/96/31/1176309631.db2.gz ZBAFEGRHSLVRNW-IAGOWNOFSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001691157057 1176344248 /nfs/dbraw/zinc/34/42/48/1176344248.db2.gz LWHVEZBHNFASEE-OAHLLOKOSA-N 0 3 304.409 3.120 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC001691772726 1176377502 /nfs/dbraw/zinc/37/75/02/1176377502.db2.gz NWFDIZFWTVNHHM-CQSZACIVSA-N 0 3 316.788 3.017 20 30 DGEDHN C#CCCCC(=O)NCCN([C@H](C)c1cccc(F)c1)C1CC1 ZINC001691207266 1176385299 /nfs/dbraw/zinc/38/52/99/1176385299.db2.gz JUHFOOHQQUNSRS-OAHLLOKOSA-N 0 3 316.420 3.271 20 30 DGEDHN C[C@@H](C#N)C(=O)NC[C@@H](NCC1=CCCCC1)c1ccccc1 ZINC001691778814 1176402601 /nfs/dbraw/zinc/40/26/01/1176402601.db2.gz ZZMATIOJCRJWEW-MAUKXSAKSA-N 0 3 311.429 3.094 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@H]1CNCC=C(Cl)Cl ZINC001700343892 1176406555 /nfs/dbraw/zinc/40/65/55/1176406555.db2.gz GZBWVPOIHPXKOX-ZDUSSCGKSA-N 0 3 317.260 3.080 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccs1)c1ccccc1 ZINC001691772855 1176434547 /nfs/dbraw/zinc/43/45/47/1176434547.db2.gz QMEDSFUDRKEHMV-HNNXBMFYSA-N 0 3 300.427 3.385 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001691395285 1176462656 /nfs/dbraw/zinc/46/26/56/1176462656.db2.gz IDEIRISSJVXTRA-HZPDHXFCSA-N 0 3 320.502 3.426 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1[nH]c(C)nc1C ZINC001691402563 1176469444 /nfs/dbraw/zinc/46/94/44/1176469444.db2.gz NGOSGLMGSJPKKR-MRXNPFEDSA-N 0 3 320.481 3.143 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1(C)CCCC1 ZINC001691427809 1176520116 /nfs/dbraw/zinc/52/01/16/1176520116.db2.gz FOKDPHHEHMCIEI-BPQIPLTHSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@@H](C)c1ccccc1C)C1CC1 ZINC001752279034 1176717033 /nfs/dbraw/zinc/71/70/33/1176717033.db2.gz NYWQBWTXCHXUHP-QGZVFWFLSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001752309990 1176726754 /nfs/dbraw/zinc/72/67/54/1176726754.db2.gz CZIMQBDDLGUASV-HNNXBMFYSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(C)c(OC)c2)CC1 ZINC001670788163 1176844561 /nfs/dbraw/zinc/84/45/61/1176844561.db2.gz AWLWKSNRWSULBG-UHFFFAOYSA-N 0 3 316.445 3.098 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC12CC2 ZINC001752536264 1176888255 /nfs/dbraw/zinc/88/82/55/1176888255.db2.gz SIIITXKMIBGEEL-BBWFWOEESA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)CCc1csc(C)n1 ZINC001755310558 1176893351 /nfs/dbraw/zinc/89/33/51/1176893351.db2.gz AENFBMVDUZFXHW-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCN1C(C)(C)C ZINC001621003358 1192779226 /nfs/dbraw/zinc/77/92/26/1192779226.db2.gz GGVNPVZKRPJUNE-CQSZACIVSA-N 0 3 320.864 3.314 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2ccc(C)cc2)C1 ZINC001691509331 1177029647 /nfs/dbraw/zinc/02/96/47/1177029647.db2.gz WWMNVDUQDRVZGB-QAQDUYKDSA-N 0 3 320.864 3.165 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC001752837750 1177288122 /nfs/dbraw/zinc/28/81/22/1177288122.db2.gz NAVNRNXXJVWXGO-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](CC)CCCC)CC(C)(C)C1 ZINC001691809416 1177312819 /nfs/dbraw/zinc/31/28/19/1177312819.db2.gz NBZZYHSHZYEEHT-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H](CC)C(C)(C)C)C[C@@H]2C1 ZINC001691578543 1177317653 /nfs/dbraw/zinc/31/76/53/1177317653.db2.gz CJVJRIAKDAFDOR-FGTMMUONSA-N 0 3 318.505 3.252 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001752869695 1177363547 /nfs/dbraw/zinc/36/35/47/1177363547.db2.gz GVDMIZBQDCXFLM-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCOCC)[C@@H]2C)CCCCC1 ZINC001691765235 1177379780 /nfs/dbraw/zinc/37/97/80/1177379780.db2.gz MECAQLJJYMLIGM-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001752915380 1177440584 /nfs/dbraw/zinc/44/05/84/1177440584.db2.gz XYMHRKTVCUFBMI-CYBMUJFWSA-N 0 3 306.837 3.024 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H](C)NC/C=C\Cl)c1ccccc1 ZINC001752921587 1177442640 /nfs/dbraw/zinc/44/26/40/1177442640.db2.gz UVIPILLSFNDSFA-KZMHERFSSA-N 0 3 306.837 3.193 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC(C)(C)CC)C1 ZINC001670922263 1177543936 /nfs/dbraw/zinc/54/39/36/1177543936.db2.gz AUPMEMYRPWWJKV-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@H](C)CC)C2)CC1 ZINC001691689694 1177689111 /nfs/dbraw/zinc/68/91/11/1177689111.db2.gz KBKGEHIQVZWYLH-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN O=C(CC1CCCC1)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001488810483 1177852996 /nfs/dbraw/zinc/85/29/96/1177852996.db2.gz SMFUSGLVDSAPHZ-MXVIHJGJSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001691733958 1177958110 /nfs/dbraw/zinc/95/81/10/1177958110.db2.gz CHMJRKOXBAAMSG-TXEJJXNPSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc2c1CCC2 ZINC001330988826 1178106602 /nfs/dbraw/zinc/10/66/02/1178106602.db2.gz BMZZKZOXQQXGJV-AWEZNQCLSA-N 0 3 320.864 3.416 20 30 DGEDHN C=C[C@H](COC)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001331065237 1178126999 /nfs/dbraw/zinc/12/69/99/1178126999.db2.gz BEZSARXWSOLLJK-CQSZACIVSA-N 0 3 306.406 3.324 20 30 DGEDHN C=CC1(CC(=O)N(C)[C@H](CNCCF)C2CC2)CCCCC1 ZINC001331340549 1178189398 /nfs/dbraw/zinc/18/93/98/1178189398.db2.gz SRUDTKPLRWFBFL-MRXNPFEDSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cccnc2C)CCC1 ZINC001331549255 1178243178 /nfs/dbraw/zinc/24/31/78/1178243178.db2.gz WFCIYNQOEVYXRM-OAHLLOKOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001331549908 1178243795 /nfs/dbraw/zinc/24/37/95/1178243795.db2.gz ZVSMNUXDSIZCTN-RDTXWAMCSA-N 0 3 306.425 3.365 20 30 DGEDHN CCCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001331849126 1178290529 /nfs/dbraw/zinc/29/05/29/1178290529.db2.gz ASJRQLRWZQJSGF-CJNGLKHVSA-N 0 3 319.474 3.279 20 30 DGEDHN CC(C)CCC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001331953152 1178318280 /nfs/dbraw/zinc/31/82/80/1178318280.db2.gz FWQIBCPYXFVSCU-PKOBYXMFSA-N 0 3 312.457 3.053 20 30 DGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001332089834 1178356326 /nfs/dbraw/zinc/35/63/26/1178356326.db2.gz KVIFTBVEUALPJS-ZFWWWQNUSA-N 0 3 318.383 3.408 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H](NC[C@@H](F)CC)C(C)(C)C2)CCC1 ZINC001332422881 1178442518 /nfs/dbraw/zinc/44/25/18/1178442518.db2.gz JVZYWNPLFSROAE-GJZGRUSLSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1cccc(C)c1)C(C)C ZINC001332732232 1178484878 /nfs/dbraw/zinc/48/48/78/1178484878.db2.gz KJOBZYYLZROUFO-KRWDZBQOSA-N 0 3 302.462 3.453 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CCO[C@H](CC)C1)C(C)C ZINC001332734994 1178486650 /nfs/dbraw/zinc/48/66/50/1178486650.db2.gz HNLYUKLERFJKBP-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN CCCC(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001332754870 1178492639 /nfs/dbraw/zinc/49/26/39/1178492639.db2.gz XVAKYASCRNBXBT-CQSZACIVSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001332843898 1178507049 /nfs/dbraw/zinc/50/70/49/1178507049.db2.gz QAPGTUBSPXHJER-ZFWWWQNUSA-N 0 3 323.506 3.366 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001332959818 1178528942 /nfs/dbraw/zinc/52/89/42/1178528942.db2.gz FOOXXQYPOKIYIY-RLGIIYIFSA-N 0 3 324.468 3.330 20 30 DGEDHN CC(C)Oc1cccc([C@@H](O)CNCC#Cc2ccccc2)c1 ZINC001334183890 1178732643 /nfs/dbraw/zinc/73/26/43/1178732643.db2.gz QFEAYDAYMLYONG-FQEVSTJZSA-N 0 3 309.409 3.149 20 30 DGEDHN N#CC[C@@H](O)CN1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001334782411 1178796871 /nfs/dbraw/zinc/79/68/71/1178796871.db2.gz JDLNSVUHYKNOIS-GOEBONIOSA-N 0 3 314.454 3.430 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC001342230740 1179120474 /nfs/dbraw/zinc/12/04/74/1179120474.db2.gz GHVIIKMMSVAYLG-MSOLQXFVSA-N 0 3 317.477 3.450 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001342320170 1179130426 /nfs/dbraw/zinc/13/04/26/1179130426.db2.gz IOBKJULNKQYZRT-AWEZNQCLSA-N 0 3 321.371 3.336 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H](C)c1nccnc1C ZINC001342343750 1179132685 /nfs/dbraw/zinc/13/26/85/1179132685.db2.gz BNKNWFHCTWJLPU-GJZGRUSLSA-N 0 3 306.454 3.040 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001342517682 1179149508 /nfs/dbraw/zinc/14/95/08/1179149508.db2.gz GKYYDLSKISWKIZ-VNQPRFMTSA-N 0 3 306.837 3.251 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CC[C@@H](C4CC4)O3)nc21 ZINC001342604070 1179159477 /nfs/dbraw/zinc/15/94/77/1179159477.db2.gz NOGFVSNVEQDFCY-CPUCHLNUSA-N 0 3 323.396 3.395 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC001343127329 1179236374 /nfs/dbraw/zinc/23/63/74/1179236374.db2.gz RCQYBDDJUJCOMT-INIZCTEOSA-N 0 3 304.821 3.081 20 30 DGEDHN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1cccc(F)n1 ZINC001343313243 1179254229 /nfs/dbraw/zinc/25/42/29/1179254229.db2.gz XXTXEDRFYMGPQY-SECBINFHSA-N 0 3 309.222 3.125 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN([C@H]3CCc4c3cccc4F)C2)nc1 ZINC001343789988 1179333324 /nfs/dbraw/zinc/33/33/24/1179333324.db2.gz LYNNQSOVKDGPPM-KSSFIOAISA-N 0 3 323.371 3.233 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCOc1ccccc1 ZINC001344322827 1179412885 /nfs/dbraw/zinc/41/28/85/1179412885.db2.gz ZEMWNMMKYQCERH-CYBMUJFWSA-N 0 3 317.776 3.109 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344868776 1179488413 /nfs/dbraw/zinc/48/84/13/1179488413.db2.gz GKRDKFOAYGJLNL-ZJPYXAASSA-N 0 3 324.424 3.180 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccccc1OC ZINC001346097063 1179653353 /nfs/dbraw/zinc/65/33/53/1179653353.db2.gz WZTQEQBIECXNHV-DZGCQCFKSA-N 0 3 311.385 3.282 20 30 DGEDHN N#CC(C(=O)C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076468 1179774224 /nfs/dbraw/zinc/77/42/24/1179774224.db2.gz RZIKIRABSCSIEO-IJDCCNJMSA-N 0 3 317.348 3.414 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(SC)cc1 ZINC001349702636 1179935400 /nfs/dbraw/zinc/93/54/00/1179935400.db2.gz RJALXXJZUMADPC-HNNXBMFYSA-N 0 3 313.426 3.434 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)C(C#N)c1ncc(Cl)n1C ZINC001349703109 1179936788 /nfs/dbraw/zinc/93/67/88/1179936788.db2.gz VPTLFTGHTVAHRQ-GFCCVEGCSA-N 0 3 312.760 3.052 20 30 DGEDHN C=CC[C@@H]1CC[C@H]([NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001602824113 1192998780 /nfs/dbraw/zinc/99/87/80/1192998780.db2.gz NVCLUDGXRJSDBF-CJNGLKHVSA-N 0 3 309.417 3.190 20 30 DGEDHN C=CC[C@@H]1CC[C@H]([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001602824113 1192998782 /nfs/dbraw/zinc/99/87/82/1192998782.db2.gz NVCLUDGXRJSDBF-CJNGLKHVSA-N 0 3 309.417 3.190 20 30 DGEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001351274291 1180194247 /nfs/dbraw/zinc/19/42/47/1180194247.db2.gz QTVMWTPWFFHUJI-AUUYWEPGSA-N 0 3 305.381 3.150 20 30 DGEDHN C=C/C(C)=C/CC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100583404 1180818558 /nfs/dbraw/zinc/81/85/58/1180818558.db2.gz SDQQUMHGUBOFPJ-GZTJUZNOSA-N 0 3 322.452 3.045 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100586869 1180824723 /nfs/dbraw/zinc/82/47/23/1180824723.db2.gz ATFNBJGIOAAMTO-HPUBIQBYSA-N 0 3 318.436 3.412 20 30 DGEDHN N#Cc1cc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])s1 ZINC001472835017 1180898048 /nfs/dbraw/zinc/89/80/48/1180898048.db2.gz SEAVDVLUGKXSEI-GFCCVEGCSA-N 0 3 320.418 3.347 20 30 DGEDHN O=C1C=C2CN(C(=S)Nc3ccccc3Cl)CCC2S1 ZINC001200855469 1180975143 /nfs/dbraw/zinc/97/51/43/1180975143.db2.gz LIRMNFWYGGKPKX-LBPRGKRZSA-N 0 3 324.858 3.311 20 30 DGEDHN C#CCN(Cc1ccc(OC)c(OCCCC#N)c1)C(C)C ZINC001355357156 1181043103 /nfs/dbraw/zinc/04/31/03/1181043103.db2.gz BJAQHTUBMQNLHA-UHFFFAOYSA-N 0 3 300.402 3.221 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCCOC2CCSCC2)C1 ZINC001355374430 1181047701 /nfs/dbraw/zinc/04/77/01/1181047701.db2.gz TZIYTOVURKRJLG-UHFFFAOYSA-N 0 3 316.470 3.112 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001356567249 1181216256 /nfs/dbraw/zinc/21/62/56/1181216256.db2.gz NEFXKFLDINZNFZ-XEZPLFJOSA-N 0 3 312.369 3.455 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC001356577989 1181218551 /nfs/dbraw/zinc/21/85/51/1181218551.db2.gz JRCAPFVIYZBFDV-ZDUSSCGKSA-N 0 3 319.817 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 ZINC001357546204 1181406979 /nfs/dbraw/zinc/40/69/79/1181406979.db2.gz QLWSYUZMWUZVRL-HNNXBMFYSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ncccc1C)C(C)(C)C ZINC001358452784 1181496150 /nfs/dbraw/zinc/49/61/50/1181496150.db2.gz MEJNOIOSHZZGAH-HOCLYGCPSA-N 0 3 303.450 3.277 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)Cc1ccc(Cl)cc1C ZINC001492940958 1181743554 /nfs/dbraw/zinc/74/35/54/1181743554.db2.gz FAPQQVYXSNEEIJ-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001448882670 1182216783 /nfs/dbraw/zinc/21/67/83/1182216783.db2.gz KXPPNQPSXNRKPX-MRXNPFEDSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001448881105 1182216993 /nfs/dbraw/zinc/21/69/93/1182216993.db2.gz GKRCDLXLANITEF-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC001452661140 1182296729 /nfs/dbraw/zinc/29/67/29/1182296729.db2.gz SRLCGCRLSJRNAP-UHFFFAOYSA-N 0 3 313.445 3.122 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC001455419653 1182369183 /nfs/dbraw/zinc/36/91/83/1182369183.db2.gz REKHKLPDPHTILV-SJORKVTESA-N 0 3 310.482 3.059 20 30 DGEDHN N#Cc1ccc(F)cc1NCC1CCN(Cc2ccncc2)CC1 ZINC001458473168 1182528539 /nfs/dbraw/zinc/52/85/39/1182528539.db2.gz ICGXYSWCUZNRDZ-UHFFFAOYSA-N 0 3 324.403 3.416 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN(C3CCCC3)[C@@H](C)C2)c1C#N ZINC001458604545 1182543821 /nfs/dbraw/zinc/54/38/21/1182543821.db2.gz PKZDRUFKHOCLNX-LBPRGKRZSA-N 0 3 318.852 3.368 20 30 DGEDHN CC(C)[C@H]1C[C@@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC001458702870 1182549864 /nfs/dbraw/zinc/54/98/64/1182549864.db2.gz MJZMUHNQMBIXIZ-GDBMZVCRSA-N 0 3 318.852 3.306 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC001460290631 1182672544 /nfs/dbraw/zinc/67/25/44/1182672544.db2.gz SZPKWUWMEKRHPQ-OKZBNKHCSA-N 0 3 324.468 3.478 20 30 DGEDHN C#CCC1(N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CCC1 ZINC001460817084 1182726227 /nfs/dbraw/zinc/72/62/27/1182726227.db2.gz HSGHFGVZARKWDF-QGZVFWFLSA-N 0 3 310.441 3.253 20 30 DGEDHN CC#CCN1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001460810887 1182726650 /nfs/dbraw/zinc/72/66/50/1182726650.db2.gz FXWIWKDVWFTOBU-UHFFFAOYSA-N 0 3 310.397 3.157 20 30 DGEDHN CCCCOc1ccccc1CNCCNc1ccc(C#N)cn1 ZINC001461032572 1182758335 /nfs/dbraw/zinc/75/83/35/1182758335.db2.gz ZMNATBINOUZPHU-UHFFFAOYSA-N 0 3 324.428 3.334 20 30 DGEDHN CC1(C)CCC[C@@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC001462011932 1182896270 /nfs/dbraw/zinc/89/62/70/1182896270.db2.gz YDSQKZORJQOYTJ-MRXNPFEDSA-N 0 3 312.461 3.292 20 30 DGEDHN C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC001462407924 1182949768 /nfs/dbraw/zinc/94/97/68/1182949768.db2.gz WGCLWNNWWSJCOT-KXBFYZLASA-N 0 3 324.424 3.254 20 30 DGEDHN COc1cc(C)c(C[N@H+](C)CCc2cccc(C#N)c2)c([O-])c1 ZINC001462519940 1182963482 /nfs/dbraw/zinc/96/34/82/1182963482.db2.gz PYMKHESPDIMEAY-UHFFFAOYSA-N 0 3 310.397 3.255 20 30 DGEDHN COc1cc(C)c(C[N@@H+](C)CCc2cccc(C#N)c2)c([O-])c1 ZINC001462519940 1182963486 /nfs/dbraw/zinc/96/34/86/1182963486.db2.gz PYMKHESPDIMEAY-UHFFFAOYSA-N 0 3 310.397 3.255 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cncc(-c2ccccc2)c1 ZINC001467727446 1183285042 /nfs/dbraw/zinc/28/50/42/1183285042.db2.gz HAFTXUNFVWFIGV-UHFFFAOYSA-N 0 3 323.440 3.329 20 30 DGEDHN CCC#C[C@H](C)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001473142706 1183719799 /nfs/dbraw/zinc/71/97/99/1183719799.db2.gz UPHUZFFOWDHRGM-JKSUJKDBSA-N 0 3 308.466 3.367 20 30 DGEDHN C#CC[C@@H](NCCOC(=O)Cc1ccccc1)c1ccccc1 ZINC001473331416 1183745426 /nfs/dbraw/zinc/74/54/26/1183745426.db2.gz IUSYCOLLHKPFSO-LJQANCHMSA-N 0 3 307.393 3.127 20 30 DGEDHN COc1cc(C#N)ccc1CN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001473789642 1183802991 /nfs/dbraw/zinc/80/29/91/1183802991.db2.gz OZFHXETZUGDORO-QUCCMNQESA-N 0 3 304.393 3.340 20 30 DGEDHN CCCCCCCOc1ccc(CN[C@@]2(C)CCNC2=O)cc1 ZINC001474280384 1183895191 /nfs/dbraw/zinc/89/51/91/1183895191.db2.gz IJJRHTCTSFPIHE-IBGZPJMESA-N 0 3 318.461 3.404 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(c2nc3ccccc3s2)CC1 ZINC001474761246 1183974754 /nfs/dbraw/zinc/97/47/54/1183974754.db2.gz GMSWTOTUEYLDJV-CQSZACIVSA-N 0 3 314.458 3.358 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)C1 ZINC001474760398 1183974968 /nfs/dbraw/zinc/97/49/68/1183974968.db2.gz NOXMBCDLSCTLRD-GFIVTLFCSA-N 0 3 312.413 3.341 20 30 DGEDHN C#CCN(C(=O)NCCCCCCC(C)C)C1CCN(C)CC1 ZINC001477306886 1184081785 /nfs/dbraw/zinc/08/17/85/1184081785.db2.gz LBJUWPVAUZPRNK-UHFFFAOYSA-N 0 3 321.509 3.332 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001477803694 1184113139 /nfs/dbraw/zinc/11/31/39/1184113139.db2.gz VFJBPQIKKKTXJS-HZPDHXFCSA-N 0 3 321.509 3.398 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC001477926608 1184119031 /nfs/dbraw/zinc/11/90/31/1184119031.db2.gz JOZYOWWXBREGPX-OAHLLOKOSA-N 0 3 305.466 3.049 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001479225381 1184212678 /nfs/dbraw/zinc/21/26/78/1184212678.db2.gz OGKXNAFRJDSPEN-AWEZNQCLSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001479270730 1184224024 /nfs/dbraw/zinc/22/40/24/1184224024.db2.gz JISQPHALXHPPNZ-ZWKOTPCHSA-N 0 3 300.446 3.287 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001479425976 1184250086 /nfs/dbraw/zinc/25/00/86/1184250086.db2.gz JFZIZTGOSFMJNN-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H](C)CC)C2)CC1 ZINC001479502167 1184261199 /nfs/dbraw/zinc/26/11/99/1184261199.db2.gz NBQNQNDWXUCPCE-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@H]1C ZINC001479712330 1184297814 /nfs/dbraw/zinc/29/78/14/1184297814.db2.gz DZUAVBAFYXDFOA-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001479715796 1184299959 /nfs/dbraw/zinc/29/99/59/1184299959.db2.gz IBPVTKVWBHHYSZ-WBVHZDCISA-N 0 3 318.486 3.329 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 ZINC001479739701 1184310571 /nfs/dbraw/zinc/31/05/71/1184310571.db2.gz JDNNVYLVMBJYSV-INIZCTEOSA-N 0 3 308.372 3.077 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)CC(C)(C)C1 ZINC001479743872 1184311578 /nfs/dbraw/zinc/31/15/78/1184311578.db2.gz AWEKVFXTWKNPSH-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN CC/C(C)=C\C(=O)NCCCN(CC)Cc1ccc(C#N)s1 ZINC001479843114 1184346884 /nfs/dbraw/zinc/34/68/84/1184346884.db2.gz OUCZCSPZSQAWJL-KAMYIIQDSA-N 0 3 319.474 3.304 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001479910623 1184376912 /nfs/dbraw/zinc/37/69/12/1184376912.db2.gz FITSQKVJAJCCIG-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCCN(CCCF)C2)CCCCC1 ZINC001479911267 1184378549 /nfs/dbraw/zinc/37/85/49/1184378549.db2.gz GFQKGRCNTIIGTR-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN(CCCF)C2)CCCCC1 ZINC001479911266 1184379188 /nfs/dbraw/zinc/37/91/88/1184379188.db2.gz GFQKGRCNTIIGTR-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC001479987220 1184403364 /nfs/dbraw/zinc/40/33/64/1184403364.db2.gz WVRUXYRXGIJBEB-MOPGFXCFSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001479989288 1184405115 /nfs/dbraw/zinc/40/51/15/1184405115.db2.gz QSCXGVRUVPZJNV-LSDHHAIUSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001479996690 1184407387 /nfs/dbraw/zinc/40/73/87/1184407387.db2.gz RCNRXUWWKNJHFC-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001480155411 1184446625 /nfs/dbraw/zinc/44/66/25/1184446625.db2.gz RNEURQCVRUAHDE-DAXOMENPSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCCCCCN1CCCC[C@H]1CNC(=O)c1ccns1 ZINC001480316770 1184490546 /nfs/dbraw/zinc/49/05/46/1184490546.db2.gz QLGBIQXRSGRDSR-HNNXBMFYSA-N 0 3 321.490 3.474 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001480332550 1184496092 /nfs/dbraw/zinc/49/60/92/1184496092.db2.gz ZMAVAPAMJNIJQP-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001480363668 1184507177 /nfs/dbraw/zinc/50/71/77/1184507177.db2.gz YKRIZVOCIQUHBQ-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001480519129 1184541198 /nfs/dbraw/zinc/54/11/98/1184541198.db2.gz VCLDCVWYQNKQBG-ZIAGYGMSSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001480644164 1184566864 /nfs/dbraw/zinc/56/68/64/1184566864.db2.gz RBPXCSCIEIAARE-ALFJJAPYSA-N 0 3 305.249 3.100 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001480660135 1184568338 /nfs/dbraw/zinc/56/83/38/1184568338.db2.gz XYSDLDHRZXKNLK-AWEZNQCLSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ncsc1C(C)C ZINC001480804186 1184612104 /nfs/dbraw/zinc/61/21/04/1184612104.db2.gz QUHOEDKJZNSGRO-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001480816573 1184617004 /nfs/dbraw/zinc/61/70/04/1184617004.db2.gz DDJLLPBMPBQQTB-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001480816573 1184617009 /nfs/dbraw/zinc/61/70/09/1184617009.db2.gz DDJLLPBMPBQQTB-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccccc1O ZINC001480816755 1184617180 /nfs/dbraw/zinc/61/71/80/1184617180.db2.gz ASNCHSYWZRJROP-CQSZACIVSA-N 0 3 322.836 3.119 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC001493096079 1184648246 /nfs/dbraw/zinc/64/82/46/1184648246.db2.gz BZLJKCWVICJTCP-HXUWFJFHSA-N 0 3 324.468 3.448 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)CC(C)(C)c1ccccc1 ZINC001493334814 1184688345 /nfs/dbraw/zinc/68/83/45/1184688345.db2.gz YJOJPMUTPLPQJA-UHFFFAOYSA-N 0 3 314.473 3.206 20 30 DGEDHN C=CCN(CCNC(=O)CC1CC(c2ccccc2)C1)C1CC1 ZINC001493384732 1184698435 /nfs/dbraw/zinc/69/84/35/1184698435.db2.gz IVECRPVTUDRDIE-UHFFFAOYSA-N 0 3 312.457 3.337 20 30 DGEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)C1(C)CCCCC1 ZINC001493682374 1184725509 /nfs/dbraw/zinc/72/55/09/1184725509.db2.gz LHYNKBUEBTVZAN-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001493760126 1184736323 /nfs/dbraw/zinc/73/63/23/1184736323.db2.gz RRWBJEHEFHKEGB-INIZCTEOSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC1CC(F)(F)C1)c1ccccc1 ZINC001493894278 1184759821 /nfs/dbraw/zinc/75/98/21/1184759821.db2.gz KIFPHRLADYRYHZ-HNNXBMFYSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cnoc1C(C)C)c1ccccc1 ZINC001493901670 1184762623 /nfs/dbraw/zinc/76/26/23/1184762623.db2.gz WXQDEWFLNHOOQZ-MRXNPFEDSA-N 0 3 313.401 3.045 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001493948755 1184774558 /nfs/dbraw/zinc/77/45/58/1184774558.db2.gz RXZQFUPTCAMXGT-FQEVSTJZSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001493964318 1184777906 /nfs/dbraw/zinc/77/79/06/1184777906.db2.gz KGBZEZHVAFXCNV-FCGDIQPGSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)C(F)F)C1 ZINC001494180777 1184826457 /nfs/dbraw/zinc/82/64/57/1184826457.db2.gz BDVLMEZJACEYIR-INIZCTEOSA-N 0 3 322.399 3.321 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001494315444 1184852468 /nfs/dbraw/zinc/85/24/68/1184852468.db2.gz TXNVCSUIOIPQPY-KRWDZBQOSA-N 0 3 319.424 3.161 20 30 DGEDHN O=C(C#CC1CC1)N[C@H]1CCCN(CC/C=C\c2ccccc2)C1 ZINC001494316872 1184854269 /nfs/dbraw/zinc/85/42/69/1184854269.db2.gz SQEDDTYBEFHVKS-WVPUOPKMSA-N 0 3 322.452 3.084 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCCCF)C2)CCC1 ZINC001494324593 1184855128 /nfs/dbraw/zinc/85/51/28/1184855128.db2.gz GXQSTLAFLGIJEO-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN([C@@H](C)COC)C2)CCCCC1 ZINC001494330327 1184857692 /nfs/dbraw/zinc/85/76/92/1184857692.db2.gz FSUFUBBMIQQNOA-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001494641435 1184897925 /nfs/dbraw/zinc/89/79/25/1184897925.db2.gz PIECNXSVBMOEMN-RCBQFDQVSA-N 0 3 302.418 3.150 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccc(C)cc1 ZINC001494650432 1184899765 /nfs/dbraw/zinc/89/97/65/1184899765.db2.gz OOPUPDVQTRBVBE-PMACEKPBSA-N 0 3 324.468 3.016 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1 ZINC001494658033 1184900405 /nfs/dbraw/zinc/90/04/05/1184900405.db2.gz DONFDHBEQIMJGK-QEJZJMRPSA-N 0 3 320.383 3.218 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001494704808 1184909156 /nfs/dbraw/zinc/90/91/56/1184909156.db2.gz WXUABZWDHSWTAM-SFHVURJKSA-N 0 3 323.440 3.282 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001494727378 1184915185 /nfs/dbraw/zinc/91/51/85/1184915185.db2.gz VBACQNCVNIOMOC-OALUTQOASA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001494878278 1184951901 /nfs/dbraw/zinc/95/19/01/1184951901.db2.gz YIOUMIWOJWOFNK-PMACEKPBSA-N 0 3 324.468 3.292 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1c(C)cccc1Cl ZINC001494980344 1184975235 /nfs/dbraw/zinc/97/52/35/1184975235.db2.gz ZAWICBWRRLKZQM-OAHLLOKOSA-N 0 3 320.864 3.292 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccccc1F ZINC001495050466 1184988019 /nfs/dbraw/zinc/98/80/19/1184988019.db2.gz ORUPSBRTYCEICS-CRAIPNDOSA-N 0 3 306.425 3.412 20 30 DGEDHN CCCCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001495130315 1185002413 /nfs/dbraw/zinc/00/24/13/1185002413.db2.gz SRQYXLOINAWNAZ-UHFFFAOYSA-N 0 3 312.457 3.247 20 30 DGEDHN C=C(C)CCC(=O)N[C@](C)(CNCc1ncccc1C)C1CC1 ZINC001495255911 1185018560 /nfs/dbraw/zinc/01/85/60/1185018560.db2.gz XFAQGAIKLUHJRM-LJQANCHMSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@@H]2CNC[C@@H](F)CC)CCCCC1 ZINC001495596337 1185078604 /nfs/dbraw/zinc/07/86/04/1185078604.db2.gz IVELNBVDYREIMY-DLBZAZTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001495734836 1185096640 /nfs/dbraw/zinc/09/66/40/1185096640.db2.gz ROZJNAMJWBDJMM-BEFAXECRSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001495930417 1185113694 /nfs/dbraw/zinc/11/36/94/1185113694.db2.gz JDHTZWGHZXPWPK-UHFFFAOYSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](CC)CC(F)F)CC2 ZINC001495973937 1185120096 /nfs/dbraw/zinc/12/00/96/1185120096.db2.gz JJYVXYUEFZFHRB-CQSZACIVSA-N 0 3 314.420 3.168 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CCCC1CC1 ZINC001496136891 1185138471 /nfs/dbraw/zinc/13/84/71/1185138471.db2.gz BINAIOFIPWMRPM-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)/C=C\c1ccco1 ZINC001496373024 1185177043 /nfs/dbraw/zinc/17/70/43/1185177043.db2.gz CEFWHXWDLVOGMJ-LZNQSLFOSA-N 0 3 322.836 3.406 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C(F)F ZINC001496385212 1185178913 /nfs/dbraw/zinc/17/89/13/1185178913.db2.gz ISJWTRKETVAUGM-AVGNSLFASA-N 0 3 320.811 3.001 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccoc1Cl)C(C)C ZINC001496548343 1185211024 /nfs/dbraw/zinc/21/10/24/1185211024.db2.gz DRNHUDZHUQVXMW-NSHDSACASA-N 0 3 305.205 3.030 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C)c(C)c1)C(C)C ZINC001496631520 1185223263 /nfs/dbraw/zinc/22/32/63/1185223263.db2.gz WHKBDSVRCDYUTQ-MRXNPFEDSA-N 0 3 308.853 3.400 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(F)c(C(F)F)c1 ZINC001496703636 1185234922 /nfs/dbraw/zinc/23/49/22/1185234922.db2.gz AMLGELVHFNYPAP-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2sccc2c1 ZINC001496814795 1185251579 /nfs/dbraw/zinc/25/15/79/1185251579.db2.gz QGQMVDLIYUNHFC-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCCc2ccccc21 ZINC001497217941 1185298755 /nfs/dbraw/zinc/29/87/55/1185298755.db2.gz YOXYCPUNTBFSOP-RHSMWYFYSA-N 0 3 320.864 3.343 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C1(C)CCCC1 ZINC001497433851 1185332121 /nfs/dbraw/zinc/33/21/21/1185332121.db2.gz WDHRAHIMBMTXQP-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C1CCC(C(=O)N(CC)CCNCc2cncc(C)c2)CC1 ZINC001497448085 1185335179 /nfs/dbraw/zinc/33/51/79/1185335179.db2.gz SYCVXCUDYHHDGQ-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001497473297 1185338773 /nfs/dbraw/zinc/33/87/73/1185338773.db2.gz OESWGMNSMNUXCS-HZPDHXFCSA-N 0 3 315.461 3.179 20 30 DGEDHN CC[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001497812418 1185396259 /nfs/dbraw/zinc/39/62/59/1185396259.db2.gz HGIONZDHBXPWRC-HUUCEWRRSA-N 0 3 320.864 3.222 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1(C2CCC2)CCC1 ZINC001497865517 1185402922 /nfs/dbraw/zinc/40/29/22/1185402922.db2.gz RCDOAFHRVLDDBE-QGZVFWFLSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2cccc(C(C)C)n2)C1 ZINC001497906106 1185407671 /nfs/dbraw/zinc/40/76/71/1185407671.db2.gz HBHZHCKTWSPLFY-OAHLLOKOSA-N 0 3 315.461 3.156 20 30 DGEDHN CN(CCCNCc1ccccc1C#N)C(=O)CC1CCCC1 ZINC001498511138 1185511902 /nfs/dbraw/zinc/51/19/02/1185511902.db2.gz PHDRESXHZZAAOI-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nocc2C)[C@H](CC)C1 ZINC001498889543 1185563850 /nfs/dbraw/zinc/56/38/50/1185563850.db2.gz LKJKGOYRESHDJD-HZPDHXFCSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1 ZINC001498984524 1185584432 /nfs/dbraw/zinc/58/44/32/1185584432.db2.gz QVYZIXQQCNLTOT-KRWDZBQOSA-N 0 3 304.478 3.382 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001498978002 1185584652 /nfs/dbraw/zinc/58/46/52/1185584652.db2.gz VOAGKGMOORWZDU-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1cccc(C)c1 ZINC001499030167 1185594651 /nfs/dbraw/zinc/59/46/51/1185594651.db2.gz LKEPFTIIJSYGKI-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001499027698 1185595251 /nfs/dbraw/zinc/59/52/51/1185595251.db2.gz DWIJXGYSVQSZDU-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001499094687 1185609761 /nfs/dbraw/zinc/60/97/61/1185609761.db2.gz YPJUXVMNFCWNQL-HNNXBMFYSA-N 0 3 304.434 3.482 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001499237561 1185628935 /nfs/dbraw/zinc/62/89/35/1185628935.db2.gz DFDTVMZXSSPFMQ-AWEZNQCLSA-N 0 3 304.409 3.481 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3(CCC)CCC3)C2)C1 ZINC001499574287 1185670924 /nfs/dbraw/zinc/67/09/24/1185670924.db2.gz QJOXMVJERXDICO-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN CC(C)(C)/C=C/C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499883419 1185712117 /nfs/dbraw/zinc/71/21/17/1185712117.db2.gz WGXZXXVOYBPNAK-KQDNUWKFSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN(C(=O)[C@H](C)CCC)C1CCN(CC=C(C)C)CC1 ZINC001500033253 1185733158 /nfs/dbraw/zinc/73/31/58/1185733158.db2.gz VPOZGMFBJXSMFB-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1ncccc1C)C1CCCC1 ZINC001500074372 1185738851 /nfs/dbraw/zinc/73/88/51/1185738851.db2.gz BQASMNPUENVIGG-GOSISDBHSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001500511646 1185810745 /nfs/dbraw/zinc/81/07/45/1185810745.db2.gz HICXPRDXKWJLEW-KRWDZBQOSA-N 0 3 317.458 3.247 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001500611423 1185827455 /nfs/dbraw/zinc/82/74/55/1185827455.db2.gz SFWPELJBNLXVEV-ZDUSSCGKSA-N 0 3 302.409 3.071 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccccc1C ZINC001501658786 1185918109 /nfs/dbraw/zinc/91/81/09/1185918109.db2.gz ZNRIQSRHZVVSPV-UHFFFAOYSA-N 0 3 320.436 3.380 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccoc2C2CC2)cc1 ZINC001501679503 1185920828 /nfs/dbraw/zinc/92/08/28/1185920828.db2.gz QTJZHDPPQJSAHZ-AWEZNQCLSA-N 0 3 322.408 3.371 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)c2ccccc2)cc1 ZINC001501681608 1185920963 /nfs/dbraw/zinc/92/09/63/1185920963.db2.gz NFJCLKOMZGVYPV-IAGOWNOFSA-N 0 3 320.436 3.390 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)C(C)C)cc1 ZINC001501681271 1185921430 /nfs/dbraw/zinc/92/14/30/1185921430.db2.gz FTJCRCZREJMJJQ-HOTGVXAUSA-N 0 3 300.446 3.269 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](CC)CCC)cc1 ZINC001501681878 1185922016 /nfs/dbraw/zinc/92/20/16/1185922016.db2.gz SKHWHUXGBNPZCC-DOTOQJQBSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CCC1 ZINC001502001835 1185945724 /nfs/dbraw/zinc/94/57/24/1185945724.db2.gz WELCKGNOXWIZMK-RTBURBONSA-N 0 3 324.468 3.222 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc3ccccc3c2)CCC1 ZINC001502020681 1185948502 /nfs/dbraw/zinc/94/85/02/1185948502.db2.gz FLFJMTXKZKHLJE-UHFFFAOYSA-N 0 3 306.409 3.105 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C(C)C)oc1C ZINC001502387022 1185978483 /nfs/dbraw/zinc/97/84/83/1185978483.db2.gz JSVCKXHJOWKCKI-UHFFFAOYSA-N 0 3 304.434 3.129 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001502403374 1185980819 /nfs/dbraw/zinc/98/08/19/1185980819.db2.gz PRSYZAYZJXGKAU-QGZVFWFLSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C\CC ZINC001502521369 1185991287 /nfs/dbraw/zinc/99/12/87/1185991287.db2.gz BRJUIASTVWCFRL-VPEZWSJASA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001502522093 1185992568 /nfs/dbraw/zinc/99/25/68/1185992568.db2.gz LMCGCMFQIGZXHA-VMTBQTDASA-N 0 3 324.468 3.462 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001502546588 1185995337 /nfs/dbraw/zinc/99/53/37/1185995337.db2.gz UJCRCCNISBGZPJ-VTSXBNNFSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ncccc2C)[C@@H](C)C1 ZINC001502969753 1186031702 /nfs/dbraw/zinc/03/17/02/1186031702.db2.gz QFIZVDUSZYMUBO-JKSUJKDBSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ncccc2C)[C@H](C)C1 ZINC001502969751 1186032910 /nfs/dbraw/zinc/03/29/10/1186032910.db2.gz QFIZVDUSZYMUBO-HZPDHXFCSA-N 0 3 315.461 3.071 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CCCCc2ccccc2)C[C@@H]1C ZINC001502966698 1186032989 /nfs/dbraw/zinc/03/29/89/1186032989.db2.gz FXLIYBUGNOLDMN-HKUYNNGSSA-N 0 3 312.457 3.002 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2ncccc2c1 ZINC001503457871 1186045546 /nfs/dbraw/zinc/04/55/46/1186045546.db2.gz IHFVYNKEBLMWJI-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(F)ccc1CC ZINC001505436808 1186080541 /nfs/dbraw/zinc/08/05/41/1186080541.db2.gz FGRWOBZJSHHILR-INIZCTEOSA-N 0 3 304.409 3.111 20 30 DGEDHN C[C@H](CNC(=O)[C@H](C)C(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001505946712 1186168862 /nfs/dbraw/zinc/16/88/62/1186168862.db2.gz TUOQBZKSDFPUPK-CABCVRRESA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001505974770 1186172761 /nfs/dbraw/zinc/17/27/61/1186172761.db2.gz WGPLYTPGIOVEFM-MRXNPFEDSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCc1c(F)cccc1F ZINC001505979525 1186173343 /nfs/dbraw/zinc/17/33/43/1186173343.db2.gz XSBHRSCZBJPPJC-ZDUSSCGKSA-N 0 3 324.415 3.156 20 30 DGEDHN CCCC[C@@H](CNCc1cc(C)ccc1F)NC(=O)[C@H](C)C#N ZINC001506538786 1186242597 /nfs/dbraw/zinc/24/25/97/1186242597.db2.gz FZJANMUAQTUTGX-ZBFHGGJFSA-N 0 3 319.424 3.058 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001506658161 1186270077 /nfs/dbraw/zinc/27/00/77/1186270077.db2.gz DNWTVLIUAKQCLQ-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001506660356 1186270351 /nfs/dbraw/zinc/27/03/51/1186270351.db2.gz RDWHDBNOVYGMMQ-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001506660355 1186270635 /nfs/dbraw/zinc/27/06/35/1186270635.db2.gz RDWHDBNOVYGMMQ-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001506682855 1186274541 /nfs/dbraw/zinc/27/45/41/1186274541.db2.gz OPTWBCBUEXLYPF-GFCCVEGCSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1conc1C(C)C ZINC001506923649 1186314040 /nfs/dbraw/zinc/31/40/40/1186314040.db2.gz JRVKPALJGJODIA-LBPRGKRZSA-N 0 3 313.829 3.039 20 30 DGEDHN C=CCOCC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC001507064017 1186353774 /nfs/dbraw/zinc/35/37/74/1186353774.db2.gz UTIMRGDOUZIMHV-KBPBESRZSA-N 0 3 324.852 3.040 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001507148626 1186372928 /nfs/dbraw/zinc/37/29/28/1186372928.db2.gz SDEKKPPMXCDNKQ-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CCC2CCCC2)[C@@H]1C ZINC001507365349 1186404084 /nfs/dbraw/zinc/40/40/84/1186404084.db2.gz FKKSSRVXMKTTGJ-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC001507385922 1186411948 /nfs/dbraw/zinc/41/19/48/1186411948.db2.gz KRWFEGGNNTUXBX-KGLIPLIRSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C(Br)CNC[C@H](NC(=O)[C@H](C)CC)C(C)(C)C ZINC001507886880 1186454375 /nfs/dbraw/zinc/45/43/75/1186454375.db2.gz KWCZMZSKKZQTMB-PWSUYJOCSA-N 0 3 319.287 3.062 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001508058882 1186474211 /nfs/dbraw/zinc/47/42/11/1186474211.db2.gz IOJQKMUXCODKKW-LKGOPFMKSA-N 0 3 324.468 3.025 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001508090746 1186480184 /nfs/dbraw/zinc/48/01/84/1186480184.db2.gz MBMTZUXSXAHJHT-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN CCCC1(C(=O)N(C)C2CC(NCC#Cc3ccccc3)C2)CC1 ZINC001508134002 1186483546 /nfs/dbraw/zinc/48/35/46/1186483546.db2.gz UAMCOHJSLYIALQ-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC001611231590 1193427967 /nfs/dbraw/zinc/42/79/67/1193427967.db2.gz RMWQKVSJOSIANA-FUHWJXTLSA-N 0 3 316.445 3.301 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1nc(Br)ccc1C#N ZINC001515878400 1186773199 /nfs/dbraw/zinc/77/31/99/1186773199.db2.gz TZEMQOFOBUTPSA-NSHDSACASA-N 0 3 323.238 3.000 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1ccsc1 ZINC001517045617 1186799718 /nfs/dbraw/zinc/79/97/18/1186799718.db2.gz GCZKOHQLROYYPP-NSHDSACASA-N 0 3 307.806 3.334 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@H]1CCCC1(F)F ZINC001517047442 1186800610 /nfs/dbraw/zinc/80/06/10/1186800610.db2.gz VHEYDMOXRIMJRV-IUCAKERBSA-N 0 3 301.724 3.075 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1sc(C(C)(C)C)nc1C ZINC001517064330 1186800745 /nfs/dbraw/zinc/80/07/45/1186800745.db2.gz JINOOCQNCIQVCD-LLVKDONJSA-N 0 3 316.430 3.456 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCSC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517121130 1186802859 /nfs/dbraw/zinc/80/28/59/1186802859.db2.gz CVVKTAKQLQHMRM-RKDXNWHRSA-N 0 3 305.790 3.146 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC001521282186 1187011248 /nfs/dbraw/zinc/01/12/48/1187011248.db2.gz DGEWVXCFPKZOTM-NSHDSACASA-N 0 3 323.849 3.250 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC001521339899 1187016131 /nfs/dbraw/zinc/01/61/31/1187016131.db2.gz KCHHTMCBJLIRQI-HNNXBMFYSA-N 0 3 304.459 3.111 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001656088209 1195998450 /nfs/dbraw/zinc/99/84/50/1195998450.db2.gz IKDCKLBWFYPZOK-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCCCCF)CC1 ZINC001656088070 1195998440 /nfs/dbraw/zinc/99/84/40/1195998440.db2.gz GCQXJEBOPOHJRR-QGZVFWFLSA-N 0 3 310.457 3.405 20 30 DGEDHN Cc1cc(N2CCN[C@H](c3ccc(Cl)cc3)C2)ncc1C#N ZINC001613088010 1193467428 /nfs/dbraw/zinc/46/74/28/1193467428.db2.gz MDLJZSXWTAIZMG-INIZCTEOSA-N 0 3 312.804 3.066 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001525115888 1187297635 /nfs/dbraw/zinc/29/76/35/1187297635.db2.gz DSRIWKXARXFTSD-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001526586920 1187376261 /nfs/dbraw/zinc/37/62/61/1187376261.db2.gz GWHZDPASFZNUHT-ZIAGYGMSSA-N 0 3 313.788 3.055 20 30 DGEDHN C#CCOCCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001615961208 1193531395 /nfs/dbraw/zinc/53/13/95/1193531395.db2.gz MUUITGBCIJYOCN-UHFFFAOYSA-N 0 3 309.331 3.444 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001537147958 1188054829 /nfs/dbraw/zinc/05/48/29/1188054829.db2.gz IKIAAZLYYJBCNT-KRWDZBQOSA-N 0 3 302.462 3.488 20 30 DGEDHN C#CCN(C(=O)CCC1CCCCCC1)C1CCN(C)CC1 ZINC001538520520 1188146260 /nfs/dbraw/zinc/14/62/60/1188146260.db2.gz ZGCGMMOVDJWMPR-UHFFFAOYSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001617246252 1193563209 /nfs/dbraw/zinc/56/32/09/1193563209.db2.gz UMWCBZLMUPFRDX-UHFFFAOYSA-N 0 3 324.534 3.457 20 30 DGEDHN C#CCN(C(=O)/C=C/c1cc(C)c(C)cc1C)C1CCN(C)CC1 ZINC001617454905 1193570313 /nfs/dbraw/zinc/57/03/13/1193570313.db2.gz WPIVHBCOKFCBLY-BQYQJAHWSA-N 0 3 324.468 3.181 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC001562939264 1188727222 /nfs/dbraw/zinc/72/72/22/1188727222.db2.gz CGCBCOICPCLOTF-QGZVFWFLSA-N 0 3 312.417 3.005 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1oc(C(F)F)cc1C ZINC001556466792 1189002782 /nfs/dbraw/zinc/00/27/82/1189002782.db2.gz NAIZXQXEZRODID-UHFFFAOYSA-N 0 3 300.349 3.106 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001556618658 1189010030 /nfs/dbraw/zinc/01/00/30/1189010030.db2.gz XRVFQRKLKQSWTF-UHFFFAOYSA-N 0 3 306.494 3.395 20 30 DGEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC001556617782 1189010072 /nfs/dbraw/zinc/01/00/72/1189010072.db2.gz MLNIFSVJVLGVAV-UHFFFAOYSA-N 0 3 319.493 3.429 20 30 DGEDHN C=CC[C@@H]1N(Cc2cc(C(=O)OCC)no2)CCCC1(C)C ZINC001559796902 1189243155 /nfs/dbraw/zinc/24/31/55/1189243155.db2.gz ANVSDZRBFAAELV-HNNXBMFYSA-N 0 3 306.406 3.418 20 30 DGEDHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCc1ccc(C#N)cc1 ZINC001559874820 1189252654 /nfs/dbraw/zinc/25/26/54/1189252654.db2.gz AKHQUALXXVRRIV-MRXNPFEDSA-N 0 3 323.415 3.451 20 30 DGEDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2ccc(C#N)cc2)C1 ZINC001559918198 1189256589 /nfs/dbraw/zinc/25/65/89/1189256589.db2.gz DFXHGMPOCUPHHM-WMLDXEAASA-N 0 3 314.429 3.358 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCS[C@H](c3ccccc3)C2)c1 ZINC001559973947 1189265408 /nfs/dbraw/zinc/26/54/08/1189265408.db2.gz NFITWFHOZBYLSI-OALUTQOASA-N 0 3 324.449 3.382 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cc2cnccc2o1 ZINC001560094272 1189277564 /nfs/dbraw/zinc/27/75/64/1189277564.db2.gz QMIQIOHYOADJFY-MLGOLLRUSA-N 0 3 307.353 3.084 20 30 DGEDHN C#C[C@@H](C)N(C)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001560793631 1189381207 /nfs/dbraw/zinc/38/12/07/1189381207.db2.gz UTQWHQBUSAOKLH-CQSZACIVSA-N 0 3 302.418 3.165 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc4ccccc4cc3F)C2)C1 ZINC001565498590 1189651413 /nfs/dbraw/zinc/65/14/13/1189651413.db2.gz PYVZINUEYKWXGD-UHFFFAOYSA-N 0 3 324.399 3.313 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccco1 ZINC001565504072 1189654452 /nfs/dbraw/zinc/65/44/52/1189654452.db2.gz LZYAZIOSOOLMLO-XHSDSOJGSA-N 0 3 302.418 3.025 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001565823302 1189676759 /nfs/dbraw/zinc/67/67/59/1189676759.db2.gz VUVOKHJHXHIGPH-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001565829460 1189681218 /nfs/dbraw/zinc/68/12/18/1189681218.db2.gz GWUXIWQYOHRWDL-GJZGRUSLSA-N 0 3 319.449 3.299 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCc1cccs1 ZINC001565832728 1189684192 /nfs/dbraw/zinc/68/41/92/1189684192.db2.gz GDTOPYYOUBINSG-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001565882591 1189699382 /nfs/dbraw/zinc/69/93/82/1189699382.db2.gz DURXGUOWOIOLGM-YTQUADARSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C#CC(C)C)C1 ZINC001565999475 1189712052 /nfs/dbraw/zinc/71/20/52/1189712052.db2.gz UCUAYEOTGCSKPE-WOJBJXKFSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)[C@H]1CC ZINC001566029479 1189719665 /nfs/dbraw/zinc/71/96/65/1189719665.db2.gz GEBBFRCYNKJYET-FHLIZLRMSA-N 0 3 318.436 3.159 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)nc1 ZINC001566122232 1189739243 /nfs/dbraw/zinc/73/92/43/1189739243.db2.gz PQZFUDIJDPTVMK-KRWDZBQOSA-N 0 3 315.461 3.318 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001566489154 1189783013 /nfs/dbraw/zinc/78/30/13/1189783013.db2.gz RKMMMWVGMCAYDQ-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCc1ccco1 ZINC001566523308 1189790368 /nfs/dbraw/zinc/79/03/68/1189790368.db2.gz CNDNBSABVZCSHH-ZBFHGGJFSA-N 0 3 324.852 3.324 20 30 DGEDHN CC#CCN(CCCNC(=O)C1(CC(C)C)CCC1)C1CC1 ZINC001566592100 1189813613 /nfs/dbraw/zinc/81/36/13/1189813613.db2.gz MATLTOYDMQEDBZ-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(CC(C)C)s1)C1CC1 ZINC001566590389 1189813812 /nfs/dbraw/zinc/81/38/12/1189813812.db2.gz XAIDDWNPJSEIQG-UHFFFAOYSA-N 0 3 318.486 3.164 20 30 DGEDHN C[C@H](c1ccccc1)N1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001566621871 1189830284 /nfs/dbraw/zinc/83/02/84/1189830284.db2.gz GGMJUXUIFHEGOA-AEFFLSMTSA-N 0 3 312.457 3.378 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001566662745 1189847546 /nfs/dbraw/zinc/84/75/46/1189847546.db2.gz IJZUDEKZEIVPRY-JXFKEZNVSA-N 0 3 324.468 3.230 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1sc(C)cc1C ZINC001566928761 1189958414 /nfs/dbraw/zinc/95/84/14/1189958414.db2.gz LWHQXKVOYBCWJO-INIZCTEOSA-N 0 3 320.502 3.454 20 30 DGEDHN CC1(C)C[C@@H]1C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001566936235 1189960554 /nfs/dbraw/zinc/96/05/54/1189960554.db2.gz KJJRZJFFROZRNK-RTBURBONSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1c(C)noc1C ZINC001566946440 1189963445 /nfs/dbraw/zinc/96/34/45/1189963445.db2.gz NDVOMUVMVHJCTM-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001566956138 1189966538 /nfs/dbraw/zinc/96/65/38/1189966538.db2.gz SZEJKVSYWDLJRM-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566963510 1189972914 /nfs/dbraw/zinc/97/29/14/1189972914.db2.gz VLRFGNUNZGMGMJ-DLBZAZTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CCC(=O)NC1CCC(NCc2oc(C)nc2C)CC1 ZINC001566984399 1189980444 /nfs/dbraw/zinc/98/04/44/1189980444.db2.gz NBOSZUGOBPUCDY-UHFFFAOYSA-N 0 3 319.449 3.165 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCC(NCc2nccs2)CC1 ZINC001566987421 1189982927 /nfs/dbraw/zinc/98/29/27/1189982927.db2.gz FQBSDHYTQVXBCA-MQBCKMQZSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2ccc(C)nc2C)CC1 ZINC001567050970 1190009920 /nfs/dbraw/zinc/00/99/20/1190009920.db2.gz KYTUUJGVIQBMAM-HNNXBMFYSA-N 0 3 315.461 3.039 20 30 DGEDHN CC[C@H](CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001567071573 1190020040 /nfs/dbraw/zinc/02/00/40/1190020040.db2.gz SWCRVUFKZGALAO-ZIAGYGMSSA-N 0 3 321.490 3.286 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001567192329 1190061331 /nfs/dbraw/zinc/06/13/31/1190061331.db2.gz XJRDXRIOBHZMQU-GVDBMIGSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@@H](C)NCc1nc(C)sc1C ZINC001567215939 1190074977 /nfs/dbraw/zinc/07/49/77/1190074977.db2.gz JJGYDZZEVNMZDE-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCCc2ccccc21 ZINC001567220448 1190077343 /nfs/dbraw/zinc/07/73/43/1190077343.db2.gz YMIJBOQHTMKCCY-YOEHRIQHSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccccc1CCC ZINC001567222966 1190078401 /nfs/dbraw/zinc/07/84/01/1190078401.db2.gz ZZPVBGZNSLJKFN-CQSZACIVSA-N 0 3 308.853 3.490 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2c(F)cccc2F)C1 ZINC001567228840 1190081175 /nfs/dbraw/zinc/08/11/75/1190081175.db2.gz IXQJULCFCQIONZ-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1ccncc1Cl ZINC001567228698 1190081581 /nfs/dbraw/zinc/08/15/81/1190081581.db2.gz FTGXWXHVKAHVRQ-CXAGYDPISA-N 0 3 323.868 3.322 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@@H]1CCc2c1cccc2Cl ZINC001567279678 1190109555 /nfs/dbraw/zinc/10/95/55/1190109555.db2.gz FKDNBOUGSFEYRD-QGZVFWFLSA-N 0 3 318.848 3.035 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1cccc(CC)c1 ZINC001567341848 1190139396 /nfs/dbraw/zinc/13/93/96/1190139396.db2.gz QFRFQUNLQVCEHX-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN CCCCCCCN1CCC[C@@H]1CNC(=O)c1ccns1 ZINC001567367592 1190155428 /nfs/dbraw/zinc/15/54/28/1190155428.db2.gz DIEAJTPCHSNZPX-CQSZACIVSA-N 0 3 309.479 3.308 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001567371491 1190157771 /nfs/dbraw/zinc/15/77/71/1190157771.db2.gz JYOJXRQFCGJHRB-ZIAGYGMSSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC001567384307 1190163759 /nfs/dbraw/zinc/16/37/59/1190163759.db2.gz XXUDJRWITGTBMI-ZDUSSCGKSA-N 0 3 324.827 3.178 20 30 DGEDHN CCCN(CCNC(=O)C1(C)CCC1)Cc1cccc(C#N)c1 ZINC001567428749 1190186723 /nfs/dbraw/zinc/18/67/23/1190186723.db2.gz DWTZIFGQXZZDLW-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2cccc(C)c2o1 ZINC001567433371 1190189601 /nfs/dbraw/zinc/18/96/01/1190189601.db2.gz ZPJAAMJMUDUGEI-UHFFFAOYSA-N 0 3 312.413 3.206 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(Cl)c(Cl)[nH]1)C1CC1 ZINC001567446074 1190197132 /nfs/dbraw/zinc/19/71/32/1190197132.db2.gz ICZZAHWXBXFWKT-UHFFFAOYSA-N 0 3 316.232 3.092 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1sccc1C)c1ccccc1 ZINC001567654473 1190238657 /nfs/dbraw/zinc/23/86/57/1190238657.db2.gz SFNARPWCJFJGAB-HNNXBMFYSA-N 0 3 300.427 3.303 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(C)ccc1F)c1ccccc1 ZINC001567662836 1190240843 /nfs/dbraw/zinc/24/08/43/1190240843.db2.gz COWFWEDIJZZUPO-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C(C)C)cn1)c1ccccc1 ZINC001567662606 1190240925 /nfs/dbraw/zinc/24/09/25/1190240925.db2.gz IGWVDSWLPXTZOY-IBGZPJMESA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cccc(F)c2)C1 ZINC001567678632 1190247694 /nfs/dbraw/zinc/24/76/94/1190247694.db2.gz KTEAEDCLPKBRQJ-QGZVFWFLSA-N 0 3 304.409 3.328 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)COC2CCCCC2)C1 ZINC001567684619 1190251986 /nfs/dbraw/zinc/25/19/86/1190251986.db2.gz JYRNQHHGXRBLAW-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC(F)(F)C(F)F)C1 ZINC001567689111 1190254581 /nfs/dbraw/zinc/25/45/81/1190254581.db2.gz RTLPKMULOJIKPW-GFCCVEGCSA-N 0 3 324.362 3.166 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2csc(Cl)c2)C1 ZINC001567688911 1190254974 /nfs/dbraw/zinc/25/49/74/1190254974.db2.gz QCIZYZGQDXQQCV-CQSZACIVSA-N 0 3 324.877 3.351 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(CC/C=C\c2ccccc2)C1 ZINC001567762624 1190290958 /nfs/dbraw/zinc/29/09/58/1190290958.db2.gz AXLXTLIFDNCCHC-QLQLNADESA-N 0 3 324.468 3.330 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCOC(C)C)C2)CCC1 ZINC001567766527 1190292396 /nfs/dbraw/zinc/29/23/96/1190292396.db2.gz LSSJEAHADIMYJI-QGZVFWFLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCc2ccccc21 ZINC001567867056 1190326763 /nfs/dbraw/zinc/32/67/63/1190326763.db2.gz YBUSWDHKMINPTM-BBTUJRGHSA-N 0 3 324.468 3.142 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC)CCCC1 ZINC001567866817 1190326796 /nfs/dbraw/zinc/32/67/96/1190326796.db2.gz SAIBSVVMNUDWSV-ULQDDVLXSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001567867033 1190327387 /nfs/dbraw/zinc/32/73/87/1190327387.db2.gz XDHNMJXJQASGLG-SLFFLAALSA-N 0 3 324.468 3.432 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001567878295 1190329732 /nfs/dbraw/zinc/32/97/32/1190329732.db2.gz WHMRTUAJNXTREI-HKUYNNGSSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001567894243 1190336857 /nfs/dbraw/zinc/33/68/57/1190336857.db2.gz YANZUDWRDHADCN-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1cccc(Cl)c1F ZINC001567957842 1190375551 /nfs/dbraw/zinc/37/55/51/1190375551.db2.gz BWLFOPZKSXVBCL-CQSZACIVSA-N 0 3 324.827 3.123 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cccc(C(C)C)n1 ZINC001567972835 1190382266 /nfs/dbraw/zinc/38/22/66/1190382266.db2.gz XFTLDZBCKLXYOR-HNNXBMFYSA-N 0 3 317.477 3.402 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCC(C)(C)C1)C1CC1 ZINC001568027667 1190402356 /nfs/dbraw/zinc/40/23/56/1190402356.db2.gz GKUIEMHAXIIVOQ-GUYCJALGSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H](CCNCC(=C)Cl)C1 ZINC001568053161 1190410749 /nfs/dbraw/zinc/41/07/49/1190410749.db2.gz DSSVRBRTDDZMFF-MRXNPFEDSA-N 0 3 310.869 3.151 20 30 DGEDHN O=C(NCCC1CCN(CC#Cc2ccccc2)CC1)C1CCC1 ZINC001568123443 1190428759 /nfs/dbraw/zinc/42/87/59/1190428759.db2.gz YYLALYPURXTOOF-UHFFFAOYSA-N 0 3 324.468 3.057 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001568156349 1190437103 /nfs/dbraw/zinc/43/71/03/1190437103.db2.gz VMZKYODFTWFIJX-WMZJFQQLSA-N 0 3 322.880 3.103 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccccc2F)CCCC1 ZINC001568232400 1190456649 /nfs/dbraw/zinc/45/66/49/1190456649.db2.gz UNZDCMOHEXRUSG-UHFFFAOYSA-N 0 3 304.409 3.311 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cccc(Cl)n2)CCCC1 ZINC001568232520 1190456930 /nfs/dbraw/zinc/45/69/30/1190456930.db2.gz ZDHDFFFGGQJBGD-UHFFFAOYSA-N 0 3 321.852 3.220 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001568235884 1190457681 /nfs/dbraw/zinc/45/76/81/1190457681.db2.gz WGCLGOVLTYTQFG-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001568240216 1190459071 /nfs/dbraw/zinc/45/90/71/1190459071.db2.gz BDXRYDMPPLHIHB-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN CCCC(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001568324191 1190490159 /nfs/dbraw/zinc/49/01/59/1190490159.db2.gz JXMHMVXVMIJQKE-CYBMUJFWSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccn1 ZINC001568430486 1190517629 /nfs/dbraw/zinc/51/76/29/1190517629.db2.gz WSAJYGFUDZVLPS-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](NCc1ccccc1Cl)C(C)C ZINC001568448497 1190525816 /nfs/dbraw/zinc/52/58/16/1190525816.db2.gz GMEVQECTLMVBHH-KRWDZBQOSA-N 0 3 320.864 3.230 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1ncccc1C)C(C)C ZINC001568458723 1190528409 /nfs/dbraw/zinc/52/84/09/1190528409.db2.gz CAMCPRIZMVJARC-MRXNPFEDSA-N 0 3 317.477 3.223 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001568486900 1190541550 /nfs/dbraw/zinc/54/15/50/1190541550.db2.gz JWERHDRROGBWHW-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(F)c2occc21 ZINC001568506610 1190554660 /nfs/dbraw/zinc/55/46/60/1190554660.db2.gz QYMSDXRKWWRREL-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)CCNCc1ccccc1C#N)CC ZINC001568620587 1190569858 /nfs/dbraw/zinc/56/98/58/1190569858.db2.gz RPRFKMCHBQPRLZ-OAHLLOKOSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001568671492 1190576410 /nfs/dbraw/zinc/57/64/10/1190576410.db2.gz SFZUKINFZFHBBI-GFCCVEGCSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ncsc1C(C)C ZINC001568697779 1190579967 /nfs/dbraw/zinc/57/99/67/1190579967.db2.gz RJSBJAPELHUYOH-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2cnc(C)o2)CCCC1 ZINC001568716604 1190582075 /nfs/dbraw/zinc/58/20/75/1190582075.db2.gz DQZZXADOQGHLMB-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCC(=O)N(CC)CCNCc1ccc(Cl)s1 ZINC001568728518 1190582972 /nfs/dbraw/zinc/58/29/72/1190582972.db2.gz OTBIQYHPUXNYCO-UHFFFAOYSA-N 0 3 300.855 3.306 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)C(C)=C1CCC1 ZINC001568741145 1190584935 /nfs/dbraw/zinc/58/49/35/1190584935.db2.gz OLCFEQMKOQMNIZ-UHFFFAOYSA-N 0 3 317.458 3.058 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001568772054 1190587476 /nfs/dbraw/zinc/58/74/76/1190587476.db2.gz GZMHZKNGQJUXAL-KRWDZBQOSA-N 0 3 319.474 3.160 20 30 DGEDHN CC#CCCCC(=O)NC/C=C\CN[C@@H](C)c1ccc(F)cc1 ZINC001568902489 1190597996 /nfs/dbraw/zinc/59/79/96/1190597996.db2.gz JLUCXYCPACBEHB-PTZVLDCSSA-N 0 3 316.420 3.342 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1sc(C)nc1C ZINC001568914279 1190599086 /nfs/dbraw/zinc/59/90/86/1190599086.db2.gz VRWPHYMHTHFBJD-JJEJIETFSA-N 0 3 321.490 3.124 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001568994483 1190605813 /nfs/dbraw/zinc/60/58/13/1190605813.db2.gz UNZRDHSAXDQJQV-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001569048175 1190613411 /nfs/dbraw/zinc/61/34/11/1190613411.db2.gz JVOJEHWNLIZFMD-CVEARBPZSA-N 0 3 318.436 3.098 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001569086534 1190619101 /nfs/dbraw/zinc/61/91/01/1190619101.db2.gz UZBHFZCHGBRMSD-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN CCCC1(C(=O)N(C)CCCNCc2ccccc2C#N)CC1 ZINC001569237694 1190655975 /nfs/dbraw/zinc/65/59/75/1190655975.db2.gz RGHLBJUSJHOSHG-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001569359926 1190675436 /nfs/dbraw/zinc/67/54/36/1190675436.db2.gz OPWVAWLMKVOPEW-DZGCQCFKSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CC1CCC(F)(F)CC1 ZINC001569360114 1190675976 /nfs/dbraw/zinc/67/59/76/1190675976.db2.gz SYNCAZYJMVSTAE-HNNXBMFYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001569362612 1190675990 /nfs/dbraw/zinc/67/59/90/1190675990.db2.gz DRGWIJWPPJAQAD-KGLIPLIRSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1CCCCc1ccccc1 ZINC001569368290 1190678972 /nfs/dbraw/zinc/67/89/72/1190678972.db2.gz XYUDHUIMQSLQOZ-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001569373256 1190680524 /nfs/dbraw/zinc/68/05/24/1190680524.db2.gz BPBFJGVJKAHSJM-GOSISDBHSA-N 0 3 314.473 3.293 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001569379820 1190686157 /nfs/dbraw/zinc/68/61/57/1190686157.db2.gz JBLQXRGXOCPDGC-SFHVURJKSA-N 0 3 314.473 3.293 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CCCCC(C)C)C2)C1 ZINC001569467136 1190703675 /nfs/dbraw/zinc/70/36/75/1190703675.db2.gz KLKPIYBPUMOFMX-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001569480617 1190706492 /nfs/dbraw/zinc/70/64/92/1190706492.db2.gz DZZJOQVCJWVGQB-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC001569578283 1190719697 /nfs/dbraw/zinc/71/96/97/1190719697.db2.gz HQNGJDRCFSHMLO-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN(C(=O)C/C=C(/C)C=C)C1CCN(CC=C(C)C)CC1 ZINC001569591338 1190720467 /nfs/dbraw/zinc/72/04/67/1190720467.db2.gz JAADRYCDLRGGNC-LSCVHKIXSA-N 0 3 314.473 3.401 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C1CCN(CC=C)CC1 ZINC001569595048 1190720720 /nfs/dbraw/zinc/72/07/20/1190720720.db2.gz BJSDNZZTPKGXAK-IEBWSBKVSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCNC[C@H](NC(=O)C=C1CCC1)c1ccc2ccccc2c1 ZINC001569597872 1190720958 /nfs/dbraw/zinc/72/09/58/1190720958.db2.gz PMHQZAOVHHXWJR-FQEVSTJZSA-N 0 3 318.420 3.330 20 30 DGEDHN C=CCCCCCN1CC[C@](C)(NC(=O)c2nccs2)C1 ZINC001569649333 1190733505 /nfs/dbraw/zinc/73/35/05/1190733505.db2.gz FZMOHFBUOJGVRF-INIZCTEOSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC001569650114 1190733655 /nfs/dbraw/zinc/73/36/55/1190733655.db2.gz VQAFIYBDJJLVQA-UYAOXDASSA-N 0 3 314.473 3.330 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001569701911 1190743333 /nfs/dbraw/zinc/74/33/33/1190743333.db2.gz HCOHUKJRFNVECH-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001569724015 1190750467 /nfs/dbraw/zinc/75/04/67/1190750467.db2.gz NXUXLDXNEUMRKH-PXNSSMCTSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)ccc2C)C1 ZINC001569724541 1190750558 /nfs/dbraw/zinc/75/05/58/1190750558.db2.gz YYHMCRCLRYQCOZ-LJQANCHMSA-N 0 3 300.446 3.321 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001569800696 1190755510 /nfs/dbraw/zinc/75/55/10/1190755510.db2.gz UDAMGOUPMNELNI-HKUYNNGSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])CC1 ZINC001569862116 1190765572 /nfs/dbraw/zinc/76/55/72/1190765572.db2.gz YJCSKIJCEYYCKV-WKILWMFISA-N 0 3 316.445 3.094 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001569870301 1190767685 /nfs/dbraw/zinc/76/76/85/1190767685.db2.gz RXZPEKBQWWDZGD-PKOBYXMFSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CN([C@H](C)c3ccccc3F)C[C@H]2C1 ZINC001569873191 1190767715 /nfs/dbraw/zinc/76/77/15/1190767715.db2.gz AMPRXJGQEHTSKI-OAGGEKHMSA-N 0 3 316.420 3.243 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CN([C@@H](C)c3ccccc3F)C[C@H]2C1 ZINC001569873190 1190768155 /nfs/dbraw/zinc/76/81/55/1190768155.db2.gz AMPRXJGQEHTSKI-HRCADAONSA-N 0 3 316.420 3.243 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001569870300 1190768182 /nfs/dbraw/zinc/76/81/82/1190768182.db2.gz RXZPEKBQWWDZGD-MJGOQNOKSA-N 0 3 312.457 3.064 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001569914576 1190772958 /nfs/dbraw/zinc/77/29/58/1190772958.db2.gz HFMNDGATCLEKAN-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@]23C[C@H]2CCC3)cc1 ZINC001570031135 1190785174 /nfs/dbraw/zinc/78/51/74/1190785174.db2.gz ITCSBJBDMNHWOB-QKYXUNIQSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC001570031157 1190785451 /nfs/dbraw/zinc/78/54/51/1190785451.db2.gz JBXPAOHDYOWTOJ-CCKFTAQKSA-N 0 3 310.441 3.023 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccc(C3CCCC3)cc2)CCC1 ZINC001570111990 1190797846 /nfs/dbraw/zinc/79/78/46/1190797846.db2.gz MDRYRZSLZNWEIS-UHFFFAOYSA-N 0 3 310.441 3.220 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](CC)C(C)C)C2 ZINC001570275659 1190835277 /nfs/dbraw/zinc/83/52/77/1190835277.db2.gz ZZQWRSLGDYIKFK-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN CCCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001570388972 1190849312 /nfs/dbraw/zinc/84/93/12/1190849312.db2.gz PDKVSDYILACIME-QGZVFWFLSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C)CC ZINC001570476441 1190866586 /nfs/dbraw/zinc/86/65/86/1190866586.db2.gz CICOZTUXKRILGP-MAUKXSAKSA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)nc1C(C)C ZINC001570536359 1190878943 /nfs/dbraw/zinc/87/89/43/1190878943.db2.gz NQCFXTJCNDQJBU-INIZCTEOSA-N 0 3 315.461 3.236 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 ZINC001570548413 1190885761 /nfs/dbraw/zinc/88/57/61/1190885761.db2.gz NPVIZWTXTHFJID-CYBMUJFWSA-N 0 3 321.490 3.163 20 30 DGEDHN Cc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)c(Cl)c1 ZINC001570600754 1190898262 /nfs/dbraw/zinc/89/82/62/1190898262.db2.gz CGXXKBNXXGKGFF-ZIAGYGMSSA-N 0 3 318.848 3.045 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(OC)c1 ZINC001570728662 1190933365 /nfs/dbraw/zinc/93/33/65/1190933365.db2.gz UBQOFGSPYDWPLG-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001570822901 1190959138 /nfs/dbraw/zinc/95/91/38/1190959138.db2.gz NOFCPSQJRDLRSZ-WMZOPIPTSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2cccc3cccnc32)C1 ZINC001570832588 1190961974 /nfs/dbraw/zinc/96/19/74/1190961974.db2.gz LPENEUIWXWOZGD-HNNXBMFYSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCc2ccsc2)C1 ZINC001570843486 1190964033 /nfs/dbraw/zinc/96/40/33/1190964033.db2.gz JJQQUYZARDQLRO-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001570864207 1190968707 /nfs/dbraw/zinc/96/87/07/1190968707.db2.gz UONQMGUWKTXXCF-DLBZAZTESA-N 0 3 314.473 3.186 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C[C@H](C)CC(C)C)C[C@]2(C)C1 ZINC001571068344 1190981816 /nfs/dbraw/zinc/98/18/16/1190981816.db2.gz LVAZWQPOPJUVNQ-RLLQIKCJSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001571180966 1190985196 /nfs/dbraw/zinc/98/51/96/1190985196.db2.gz KAGVQEUNXXGCQN-SHTZXODSSA-N 0 3 323.868 3.064 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC001571322391 1190992044 /nfs/dbraw/zinc/99/20/44/1190992044.db2.gz PAGKHFXZCNHBLK-LSDHHAIUSA-N 0 3 308.853 3.417 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001571329541 1190993373 /nfs/dbraw/zinc/99/33/73/1190993373.db2.gz GLCUDGZXLMLCJO-LJQANCHMSA-N 0 3 324.468 3.007 20 30 DGEDHN C=CCCC(=O)N1CCC(N(C)Cc2cccc(Cl)n2)CC1 ZINC001571328732 1190993420 /nfs/dbraw/zinc/99/34/20/1190993420.db2.gz FQLSMIAZZYRRHG-UHFFFAOYSA-N 0 3 321.852 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001571388934 1191010825 /nfs/dbraw/zinc/01/08/25/1191010825.db2.gz BCDJGOJUWMJMAK-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001571402087 1191015070 /nfs/dbraw/zinc/01/50/70/1191015070.db2.gz PMBAGMAGXOCXMQ-ROUUACIJSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001571401721 1191015237 /nfs/dbraw/zinc/01/52/37/1191015237.db2.gz JGVYBFYPINRZBZ-HUUCEWRRSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(C)nc1C ZINC001571407232 1191017153 /nfs/dbraw/zinc/01/71/53/1191017153.db2.gz RUBFAEYFHLSIRS-OAHLLOKOSA-N 0 3 317.477 3.237 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC001571490827 1191030394 /nfs/dbraw/zinc/03/03/94/1191030394.db2.gz JIKHLHZKSNUTPL-DNVCBOLYSA-N 0 3 306.409 3.056 20 30 DGEDHN Cc1cccc(CN2CCC[C@@H](NC(=O)C#CC(C)C)[C@H]2C)c1 ZINC001571517201 1191039640 /nfs/dbraw/zinc/03/96/40/1191039640.db2.gz PFNRBEDNRHVUMM-IEBWSBKVSA-N 0 3 312.457 3.124 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CC2(c3ccccc3)CC2)[C@@H]1C ZINC001571518455 1191040866 /nfs/dbraw/zinc/04/08/66/1191040866.db2.gz FSNVEISVNWKBQJ-WMZOPIPTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)/C(C)=C\C)Cc1ccccc1 ZINC001571526359 1191043750 /nfs/dbraw/zinc/04/37/50/1191043750.db2.gz FTPWEVFBPLNZGK-SHDIAVBESA-N 0 3 320.864 3.412 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cscc1Cl)C(C)C ZINC001571612677 1191058424 /nfs/dbraw/zinc/05/84/24/1191058424.db2.gz UFLFQRJQJHVBFN-UHFFFAOYSA-N 0 3 312.866 3.207 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccoc1CCC)C(C)C ZINC001571615902 1191062397 /nfs/dbraw/zinc/06/23/97/1191062397.db2.gz IPCAJIAZXXBWJW-UHFFFAOYSA-N 0 3 304.434 3.038 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(Cl)c(OC)c1)C(C)C ZINC001571615517 1191062466 /nfs/dbraw/zinc/06/24/66/1191062466.db2.gz UVPIKUHPCIKBHR-UHFFFAOYSA-N 0 3 324.852 3.317 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)cc(C)c1)C(C)C ZINC001571615782 1191063365 /nfs/dbraw/zinc/06/33/65/1191063365.db2.gz DOSQHSLGEQKKQR-UHFFFAOYSA-N 0 3 300.446 3.109 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CCN(Cc2cnccc2C)CC1 ZINC001571643163 1191072859 /nfs/dbraw/zinc/07/28/59/1191072859.db2.gz VAWIDSYMQQKCGO-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C(C)(C)CC=C)c(F)c1 ZINC001571703555 1191086650 /nfs/dbraw/zinc/08/66/50/1191086650.db2.gz KBMKYXIIDISEBX-UHFFFAOYSA-N 0 3 304.409 3.320 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC001574888898 1191455692 /nfs/dbraw/zinc/45/56/92/1191455692.db2.gz MCBVFAZRYODXHZ-PMACEKPBSA-N 0 3 320.436 3.177 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC001574888900 1191455990 /nfs/dbraw/zinc/45/59/90/1191455990.db2.gz MCBVFAZRYODXHZ-VQTJNVASSA-N 0 3 320.436 3.177 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001574903484 1191457511 /nfs/dbraw/zinc/45/75/11/1191457511.db2.gz RXJDIKZRQHXPAC-SJORKVTESA-N 0 3 313.445 3.349 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001574908214 1191457567 /nfs/dbraw/zinc/45/75/67/1191457567.db2.gz HZOOZKHHZAWMJP-KSSFIOAISA-N 0 3 300.446 3.426 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC001574903175 1191457847 /nfs/dbraw/zinc/45/78/47/1191457847.db2.gz MRANIMXELFCZMO-OAHLLOKOSA-N 0 3 308.853 3.417 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC001574908458 1191458124 /nfs/dbraw/zinc/45/81/24/1191458124.db2.gz OOJKCECGFAUMDK-SJORKVTESA-N 0 3 302.418 3.069 20 30 DGEDHN CC(C)C[C@H](N)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001575640388 1191498355 /nfs/dbraw/zinc/49/83/55/1191498355.db2.gz VGOYOKVBLRMBGB-INIZCTEOSA-N 0 3 324.384 3.057 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(Cc2ccccc2F)CC1 ZINC001618814356 1193753308 /nfs/dbraw/zinc/75/33/08/1193753308.db2.gz UNJCFFOANHIHCD-UHFFFAOYSA-N 0 3 318.436 3.115 20 30 DGEDHN C=CC[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001620213726 1193765419 /nfs/dbraw/zinc/76/54/19/1193765419.db2.gz BMYKGVMQFXPKKV-HKUYNNGSSA-N 0 3 323.440 3.342 20 30 DGEDHN C[C@H](NC[C@H](O)c1cccc(C#N)c1)c1cc2cnccc2o1 ZINC001620528659 1193775676 /nfs/dbraw/zinc/77/56/76/1193775676.db2.gz QAHXRPCGXPNTEX-LRDDRELGSA-N 0 3 307.353 3.084 20 30 DGEDHN C#CCOc1ccccc1C[NH2+]CCc1c(F)cc([O-])cc1F ZINC001621082383 1193800042 /nfs/dbraw/zinc/80/00/42/1193800042.db2.gz YGDHITGPEVKGFY-UHFFFAOYSA-N 0 3 317.335 3.015 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)CSc1ccccc1 ZINC001626751117 1194093970 /nfs/dbraw/zinc/09/39/70/1194093970.db2.gz UCRWZNOJHXEXNS-MRXNPFEDSA-N 0 3 320.502 3.381 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC001628027820 1194155970 /nfs/dbraw/zinc/15/59/70/1194155970.db2.gz ABWHCVFPNWGRFE-UHFFFAOYSA-N 0 3 310.441 3.004 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)cc2F)c1 ZINC001630668955 1194297053 /nfs/dbraw/zinc/29/70/53/1194297053.db2.gz VQPIDFYQXMPLKH-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C#CCN(C(=O)CN(C)C1CCC1)[C@H]1CCCc2ccccc21 ZINC001635885391 1194577332 /nfs/dbraw/zinc/57/73/32/1194577332.db2.gz UJJLOZVTVJNBJL-IBGZPJMESA-N 0 3 310.441 3.010 20 30 DGEDHN C=C(C)CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001638949307 1194744739 /nfs/dbraw/zinc/74/47/39/1194744739.db2.gz HAUKPHJEAOMZKC-UHFFFAOYSA-N 0 3 323.440 3.241 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc(C)cc1C ZINC001640015377 1194791294 /nfs/dbraw/zinc/79/12/94/1194791294.db2.gz ABCYKRICYIPGLX-UHFFFAOYSA-N 0 3 302.462 3.202 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001640019748 1194791828 /nfs/dbraw/zinc/79/18/28/1194791828.db2.gz HDHVUBUXHPKVFO-UHFFFAOYSA-N 0 3 314.473 3.383 20 30 DGEDHN CN(C)CC#CCNc1ncnc2sc(-c3ccccc3)cc21 ZINC001643036399 1194962063 /nfs/dbraw/zinc/96/20/63/1194962063.db2.gz JOKWTZKBYUGPRH-UHFFFAOYSA-N 0 3 322.437 3.335 20 30 DGEDHN C[C@H]1CCC[C@@H](CCN2CCN(c3cnccc3C#N)CC2)C1 ZINC001643257397 1195009523 /nfs/dbraw/zinc/00/95/23/1195009523.db2.gz KZNLVFDTARUAQZ-IRXDYDNUSA-N 0 3 312.461 3.292 20 30 DGEDHN C[C@@H]1CCC(C)(C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001643397495 1195020751 /nfs/dbraw/zinc/02/07/51/1195020751.db2.gz HHSYOVCZAGHABV-LLVKDONJSA-N 0 3 305.809 3.413 20 30 DGEDHN C=CC[C@@H]1CCN(CC(=O)NCCc2c(C)cc(C)cc2C)C1 ZINC001643961000 1195068147 /nfs/dbraw/zinc/06/81/47/1195068147.db2.gz RYEOOMTWNOQARP-GOSISDBHSA-N 0 3 314.473 3.169 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1 ZINC001644706900 1195127975 /nfs/dbraw/zinc/12/79/75/1195127975.db2.gz LCVAGSQNHKHSDJ-UHOSZYNNSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC001645614667 1195195096 /nfs/dbraw/zinc/19/50/96/1195195096.db2.gz PXMTUWSMMGGMRL-QGZVFWFLSA-N 0 3 322.880 3.352 20 30 DGEDHN Cc1nsc(N2CCN(C[C@@H]3CCCC[C@H]3C)CC2)c1C#N ZINC001645950796 1195209000 /nfs/dbraw/zinc/20/90/00/1195209000.db2.gz SOTITVSDLCCLBK-HIFRSBDPSA-N 0 3 318.490 3.272 20 30 DGEDHN COc1ccc(C)cc1[C@H](C)NC[C@@H](O)c1cccc(C#N)c1 ZINC001646080630 1195213381 /nfs/dbraw/zinc/21/33/81/1195213381.db2.gz PAEWHYYRRJVTPS-KBXCAEBGSA-N 0 3 310.397 3.260 20 30 DGEDHN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC001646783899 1195237553 /nfs/dbraw/zinc/23/75/53/1195237553.db2.gz VQLVXDHSWXBCTN-MRXNPFEDSA-N 0 3 314.429 3.361 20 30 DGEDHN C=C(CC)CN1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001648312629 1195291361 /nfs/dbraw/zinc/29/13/61/1195291361.db2.gz XRHUXBYCJVCWFP-GFCCVEGCSA-N 0 3 310.239 3.385 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3ccc4[nH]ccc4c3)CC2)C1=O ZINC001648538142 1195307616 /nfs/dbraw/zinc/30/76/16/1195307616.db2.gz CYMDKKGYCQSIEK-IBGZPJMESA-N 0 3 323.440 3.134 20 30 DGEDHN C[C@H]1CC[C@@](CO)(NCc2cccc(C#N)c2)c2ccccc21 ZINC001648621154 1195314988 /nfs/dbraw/zinc/31/49/88/1195314988.db2.gz JRPDKULPOQBSJL-YWZLYKJASA-N 0 3 306.409 3.433 20 30 DGEDHN CC#CCN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001649397423 1195334467 /nfs/dbraw/zinc/33/44/67/1195334467.db2.gz NZTXOXNUOHXJPT-OAQYLSRUSA-N 0 3 305.421 3.346 20 30 DGEDHN C=CC[C@@H](NCc1ccc(-n2cncn2)c(C)c1)c1ccncc1 ZINC001649807946 1195358440 /nfs/dbraw/zinc/35/84/40/1195358440.db2.gz XLCOMPDXWHOAHR-GOSISDBHSA-N 0 3 319.412 3.378 20 30 DGEDHN C=CCOc1cccc(CNCCn2c(=O)[nH]c3ccccc32)c1 ZINC001650664589 1195369922 /nfs/dbraw/zinc/36/99/22/1195369922.db2.gz JHDYDFGELVYMFV-UHFFFAOYSA-N 0 3 323.396 3.097 20 30 DGEDHN CCN1C[C@@H](C)N(c2ncc(C#N)c3ccsc32)C[C@@H]1C ZINC001650927342 1195396214 /nfs/dbraw/zinc/39/62/14/1195396214.db2.gz IZTLLYOWNRNXGG-NWDGAFQWSA-N 0 3 300.431 3.087 20 30 DGEDHN CC[C@@H]1CN(c2cc(C)ncc2C#N)CCN1Cc1ccccc1 ZINC001650954000 1195398303 /nfs/dbraw/zinc/39/83/03/1195398303.db2.gz SIQZGAFAFRVUJW-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN CN(CCCN(C)c1cc(F)ccc1C#N)Cc1ccco1 ZINC001651045032 1195407501 /nfs/dbraw/zinc/40/75/01/1195407501.db2.gz HUQHTNXJQILNQI-UHFFFAOYSA-N 0 3 301.365 3.249 20 30 DGEDHN CCN1C[C@H](C)N(c2cc(Br)ccc2C#N)C[C@H]1C ZINC001651702766 1195498736 /nfs/dbraw/zinc/49/87/36/1195498736.db2.gz NBJLRPVUSQXTNO-NEPJUHHUSA-N 0 3 322.250 3.240 20 30 DGEDHN CCc1ccc(C#CC(=O)N2CCN(C3CCCC3)[C@H](C)C2)cc1 ZINC001651775207 1195508175 /nfs/dbraw/zinc/50/81/75/1195508175.db2.gz LUHJDATXKQXMQT-QGZVFWFLSA-N 0 3 324.468 3.076 20 30 DGEDHN C[C@@H](C#N)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001652167813 1195556607 /nfs/dbraw/zinc/55/66/07/1195556607.db2.gz PZOVYVJGMPUJJW-UONOGXRCSA-N 0 3 309.454 3.161 20 30 DGEDHN C#C[C@@H](C)NCc1cc(C)c(I)cc1C ZINC001652432081 1195596910 /nfs/dbraw/zinc/59/69/10/1195596910.db2.gz CQIREOBVUSQTAH-LLVKDONJSA-N 0 3 313.182 3.019 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCSC[C@@H]2c2ccccc2)c1 ZINC001652515741 1195610081 /nfs/dbraw/zinc/61/00/81/1195610081.db2.gz QFBPLCWZABKNOO-MOPGFXCFSA-N 0 3 324.449 3.382 20 30 DGEDHN C=CCCCCCN(C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC001652546978 1195616123 /nfs/dbraw/zinc/61/61/23/1195616123.db2.gz SRRVVLOAAKNZLB-QGZVFWFLSA-N 0 3 316.445 3.479 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CC12CC(NCC1(C#N)CCCC1)C2 ZINC001652760193 1195647337 /nfs/dbraw/zinc/64/73/37/1195647337.db2.gz UBTXRHMTXGDCRL-TXKKKEFDSA-N 0 3 319.449 3.106 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CCCN1[O-] ZINC001652756084 1195648117 /nfs/dbraw/zinc/64/81/17/1195648117.db2.gz HSTFHZMCKLYTGJ-FVQBIDKESA-N 0 3 322.836 3.021 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC001653334469 1195711890 /nfs/dbraw/zinc/71/18/90/1195711890.db2.gz SHDUYSUUQNPECQ-UXHICEINSA-N 0 3 322.408 3.055 20 30 DGEDHN C#CCN(C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001653502928 1195729217 /nfs/dbraw/zinc/72/92/17/1195729217.db2.gz JPFSADVDBMYSQS-UHFFFAOYSA-N 0 3 308.381 3.373 20 30 DGEDHN CO[C@@]1(C)C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC001653642820 1195740951 /nfs/dbraw/zinc/74/09/51/1195740951.db2.gz SOOFZZDHCIHJGY-PBHICJAKSA-N 0 3 324.371 3.453 20 30 DGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1C(=O)OC(C)(C)C ZINC001654847180 1195846788 /nfs/dbraw/zinc/84/67/88/1195846788.db2.gz DVEITTXIEZCXJH-RHSMWYFYSA-N 0 3 314.429 3.358 20 30 DGEDHN CC(C)(C#N)CCCCN1CCc2c(C#N)c(N)sc2C1 ZINC001654998930 1195862968 /nfs/dbraw/zinc/86/29/68/1195862968.db2.gz LKTKYPATPKUGBE-UHFFFAOYSA-N 0 3 302.447 3.280 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(CCCCC1(C#N)CCC1)C2 ZINC001655797055 1195964330 /nfs/dbraw/zinc/96/43/30/1195964330.db2.gz HUXILBRGXIIPCM-UHFFFAOYSA-N 0 3 314.458 3.424 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CCC2 ZINC001656106382 1196003738 /nfs/dbraw/zinc/00/37/38/1196003738.db2.gz ZAYWYFKFTCBWGR-OAHLLOKOSA-N 0 3 318.486 3.349 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(CCOC)CCCC1 ZINC001656112763 1196004770 /nfs/dbraw/zinc/00/47/70/1196004770.db2.gz JRWTURCYUVIZKT-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2C[C@@H](CC)OC)CCCC1 ZINC001656113283 1196006214 /nfs/dbraw/zinc/00/62/14/1196006214.db2.gz UYVUFSFQFNOXMC-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001656187771 1196014992 /nfs/dbraw/zinc/01/49/92/1196014992.db2.gz HWPVWWLOFCENQQ-RBSFLKMASA-N 0 3 304.409 3.337 20 30 DGEDHN CC(C)C#CC(=O)N1CC2(C[C@H]1C)CCN(C/C=C/Cl)CC2 ZINC001656394006 1196035665 /nfs/dbraw/zinc/03/56/65/1196035665.db2.gz PFGKTOXKKPAEDK-VCIFKONDSA-N 0 3 322.880 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C1CC=CC1 ZINC001656429127 1196039639 /nfs/dbraw/zinc/03/96/39/1196039639.db2.gz KAAAWPSAJXKYCW-BBRMVZONSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC(C)(C)C2CC2)CC(C)(C)C1 ZINC001657096825 1196105117 /nfs/dbraw/zinc/10/51/17/1196105117.db2.gz QVHQYPLYXOEYAM-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN CCC#C[C@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001657592704 1196157632 /nfs/dbraw/zinc/15/76/32/1196157632.db2.gz KLHAGWKPVRPJTG-AWEZNQCLSA-N 0 3 317.408 3.214 20 30 DGEDHN CN(C)c1ccc(CN(C)Cc2cc(C#N)ccc2N(C)C)cc1 ZINC001658202381 1196225029 /nfs/dbraw/zinc/22/50/29/1196225029.db2.gz RSKNALJRSGYTHG-UHFFFAOYSA-N 0 3 322.456 3.322 20 30 DGEDHN Cc1nsc(N2CCN(CC3CCCCCC3)CC2)c1C#N ZINC001658834061 1196307469 /nfs/dbraw/zinc/30/74/69/1196307469.db2.gz WKMNSKGORZZTHE-UHFFFAOYSA-N 0 3 318.490 3.416 20 30 DGEDHN Cc1ccc(F)cc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001658945034 1196321898 /nfs/dbraw/zinc/32/18/98/1196321898.db2.gz DVECONJFVPCEFR-SFHVURJKSA-N 0 3 324.403 3.477 20 30 DGEDHN C#CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001659696089 1196406385 /nfs/dbraw/zinc/40/63/85/1196406385.db2.gz YYGVSAZYSJGEIH-HOTGVXAUSA-N 0 3 306.450 3.264 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCC(F)F ZINC001660447251 1196485259 /nfs/dbraw/zinc/48/52/59/1196485259.db2.gz OOZCTYZZNXHJBO-NEPJUHHUSA-N 0 3 308.800 3.143 20 30 DGEDHN N#Cc1cc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)cs1 ZINC001660695871 1196513147 /nfs/dbraw/zinc/51/31/47/1196513147.db2.gz KPHSJHASYZHLFB-FUHWJXTLSA-N 0 3 310.422 3.020 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC001660719616 1196516493 /nfs/dbraw/zinc/51/64/93/1196516493.db2.gz RWLKQUUXPDAQBC-CQSZACIVSA-N 0 3 318.848 3.047 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC001660855846 1196535979 /nfs/dbraw/zinc/53/59/79/1196535979.db2.gz SHMVXPGNUATKGX-KRWDZBQOSA-N 0 3 316.445 3.002 20 30 DGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCCC23OCCO3)cc1 ZINC001660891504 1196539210 /nfs/dbraw/zinc/53/92/10/1196539210.db2.gz BRZRDYRTNVREFQ-KRWDZBQOSA-N 0 3 314.429 3.263 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)Cc2ccco2)CC1 ZINC001661093912 1196565326 /nfs/dbraw/zinc/56/53/26/1196565326.db2.gz FRFGDCSJHLPXGI-MRXNPFEDSA-N 0 3 318.461 3.347 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1cc(C)ns1)C1CC1 ZINC001661131508 1196571416 /nfs/dbraw/zinc/57/14/16/1196571416.db2.gz IHQAAADCIYJUAP-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C[C@@H]1CCC[C@H]1CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661426622 1196604307 /nfs/dbraw/zinc/60/43/07/1196604307.db2.gz GFHKKXOVPGNASE-GSEOLPGOSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001661654310 1196628526 /nfs/dbraw/zinc/62/85/26/1196628526.db2.gz PLGDFWDUTCFLRU-BCVKPHMYSA-N 0 3 318.848 3.469 20 30 DGEDHN C=C1CCC(C(=O)N2CCCC[C@H]2CNC[C@H](F)CC)CC1 ZINC001661947302 1196665626 /nfs/dbraw/zinc/66/56/26/1196665626.db2.gz UCQPXRUFYBQQNF-SJORKVTESA-N 0 3 310.457 3.452 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001661984020 1196670899 /nfs/dbraw/zinc/67/08/99/1196670899.db2.gz QBXIZZAKZAKNPI-SJLPKXTDSA-N 0 3 302.462 3.117 20 30 DGEDHN CCC[C@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001662350864 1196711369 /nfs/dbraw/zinc/71/13/69/1196711369.db2.gz OFBAUKORZKGFFL-CJNGLKHVSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001662680160 1196739951 /nfs/dbraw/zinc/73/99/51/1196739951.db2.gz IUSJQAYBJXGDNP-FMNNIJNLSA-N 0 3 305.249 3.100 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001662771864 1196749142 /nfs/dbraw/zinc/74/91/42/1196749142.db2.gz APWYREDSIHAEEF-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC001662898215 1196770160 /nfs/dbraw/zinc/77/01/60/1196770160.db2.gz AURHGLQECTUDQC-QWHCGFSZSA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CCC1(F)F ZINC001663071409 1196788932 /nfs/dbraw/zinc/78/89/32/1196788932.db2.gz CDYUPVDVOFCVNB-CHWSQXEVSA-N 0 3 320.811 3.145 20 30 DGEDHN CCN(CCNC(=O)C#CC1CC1)[C@H](C)c1ccc(Cl)cc1 ZINC001663381409 1196851403 /nfs/dbraw/zinc/85/14/03/1196851403.db2.gz FTTDGGLYOBBTEU-CQSZACIVSA-N 0 3 318.848 3.253 20 30 DGEDHN N#CCOc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000079076742 1196880081 /nfs/dbraw/zinc/88/00/81/1196880081.db2.gz BAOJSPYEQWDPBJ-UHFFFAOYSA-N 0 3 318.323 3.480 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C(F)F)cc1 ZINC001663688134 1196928483 /nfs/dbraw/zinc/92/84/83/1196928483.db2.gz LGGCGPCEHPMMPU-UHFFFAOYSA-N 0 3 308.372 3.089 20 30 DGEDHN C#CCN(CCC)CCNC(=O)CC(C)(C)C1CCCCC1 ZINC001663689121 1196929039 /nfs/dbraw/zinc/92/90/39/1196929039.db2.gz YVFONDHYKPAHCH-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001663696084 1196930480 /nfs/dbraw/zinc/93/04/80/1196930480.db2.gz HRPHIIUTXHORGM-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(-n2cccc2)cc1)C1CC1 ZINC001663735381 1196937146 /nfs/dbraw/zinc/93/71/46/1196937146.db2.gz RJIMXTQWTULSQR-UHFFFAOYSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCN(CCNC(=O)[C@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC001663763238 1196942654 /nfs/dbraw/zinc/94/26/54/1196942654.db2.gz NSAXOSIFZLDLTB-HXUWFJFHSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C)c(CC)s1)C1CC1 ZINC001663773604 1196944901 /nfs/dbraw/zinc/94/49/01/1196944901.db2.gz WULLCSOIRLSHBR-UHFFFAOYSA-N 0 3 306.475 3.389 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)Cc1ccccc1)c1ccccc1 ZINC001664583379 1197016991 /nfs/dbraw/zinc/01/69/91/1197016991.db2.gz MEEFHIJHLIRVPU-LJQANCHMSA-N 0 3 308.425 3.252 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C(C)(C)C1CC1)c1ccccc1 ZINC001664587809 1197017703 /nfs/dbraw/zinc/01/77/03/1197017703.db2.gz HQMHFNVASYRQDX-KRWDZBQOSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)Cc1ccccc1C)c1ccccc1 ZINC001664597738 1197018880 /nfs/dbraw/zinc/01/88/80/1197018880.db2.gz DMKLCERXTQORBZ-FQEVSTJZSA-N 0 3 320.436 3.008 20 30 DGEDHN C=CCC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC)c1ccccc1 ZINC001664647557 1197024838 /nfs/dbraw/zinc/02/48/38/1197024838.db2.gz YNUPPDLHPMUWQS-CEXWTWQISA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)/C=C/c2ccco2)C1 ZINC001664650585 1197024882 /nfs/dbraw/zinc/02/48/82/1197024882.db2.gz BDPGOXABJRVEIE-WAVCKPEOSA-N 0 3 302.418 3.182 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)/C=C\c2ccco2)C1 ZINC001664650584 1197025520 /nfs/dbraw/zinc/02/55/20/1197025520.db2.gz BDPGOXABJRVEIE-PTZVLDCSSA-N 0 3 302.418 3.182 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001664673285 1197030885 /nfs/dbraw/zinc/03/08/85/1197030885.db2.gz JGGBFBBSXOVACA-KSZLIROESA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2csc(C)c2C)C1 ZINC001664667839 1197031227 /nfs/dbraw/zinc/03/12/27/1197031227.db2.gz QVDSLSKNINSUEY-INIZCTEOSA-N 0 3 318.486 3.315 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CCC(OC)CC2)C1 ZINC001664680123 1197034371 /nfs/dbraw/zinc/03/43/71/1197034371.db2.gz ZYXFMXIYHAOGPD-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](CC)CC(C)C)C1 ZINC001664685506 1197035472 /nfs/dbraw/zinc/03/54/72/1197035472.db2.gz CBYNBPSNFAHOTA-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC001664982304 1197084289 /nfs/dbraw/zinc/08/42/89/1197084289.db2.gz IJOUMBZYEKIAFS-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001665052374 1197091392 /nfs/dbraw/zinc/09/13/92/1197091392.db2.gz QSOVGMCBIZVNEB-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CC[C@@H]2CCCC2(F)F)C1 ZINC001665292989 1197119146 /nfs/dbraw/zinc/11/91/46/1197119146.db2.gz HBRCABBQMVLKKU-HNNXBMFYSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCC(F)(F)C1 ZINC001665378519 1197130156 /nfs/dbraw/zinc/13/01/56/1197130156.db2.gz CRIYUBTXCLKVEF-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001665563683 1197151840 /nfs/dbraw/zinc/15/18/40/1197151840.db2.gz MERBQNWBJJEKGY-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cccc(CC)c2)C1 ZINC001665721876 1197180829 /nfs/dbraw/zinc/18/08/29/1197180829.db2.gz VWHCTLADSHRGCP-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001665732573 1197182304 /nfs/dbraw/zinc/18/23/04/1197182304.db2.gz WBKGYQGWRRRLIR-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2cnoc2C)CCCC[C@@H]1C ZINC001666048185 1197231107 /nfs/dbraw/zinc/23/11/07/1197231107.db2.gz CQHYDIHFAAYWEM-KBXCAEBGSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2nc(C)c(C)s2)CC1 ZINC001666275478 1197247606 /nfs/dbraw/zinc/24/76/06/1197247606.db2.gz WOIUKSPVAKUQJM-SHTZXODSSA-N 0 3 321.490 3.243 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](NCc2oc(C)nc2C)CC1 ZINC001666302527 1197249969 /nfs/dbraw/zinc/24/99/69/1197249969.db2.gz LPUUQLSWBMSPLQ-WKILWMFISA-N 0 3 319.449 3.165 20 30 DGEDHN C=C(C)CCC(=O)NCCC1CCN(Cc2cnc(C)o2)CC1 ZINC001666367622 1197256558 /nfs/dbraw/zinc/25/65/58/1197256558.db2.gz AFMHITMCSCGYDC-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)CN[C@H](C)c1nc2ccccc2o1 ZINC001666519919 1197265807 /nfs/dbraw/zinc/26/58/07/1197265807.db2.gz MAARERGBPXPIJF-UONOGXRCSA-N 0 3 315.417 3.197 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666988148 1197305818 /nfs/dbraw/zinc/30/58/18/1197305818.db2.gz UENOBQJKGFVWFN-CXAGYDPISA-N 0 3 319.474 3.159 20 30 DGEDHN CC(C)CCCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666997228 1197306946 /nfs/dbraw/zinc/30/69/46/1197306946.db2.gz LBJUJOWGOCBXGQ-CQSZACIVSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ncc(C)s2)[C@@H](C)C1 ZINC001667197464 1197328807 /nfs/dbraw/zinc/32/88/07/1197328807.db2.gz IXKLIFZCTAZJBN-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(C)(C)NC(=O)NCCN(C)Cc1ccccc1 ZINC001667356346 1197340957 /nfs/dbraw/zinc/34/09/57/1197340957.db2.gz XIFFUQDSLVWYGS-UHFFFAOYSA-N 0 3 303.450 3.162 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccn1 ZINC001667374697 1197341980 /nfs/dbraw/zinc/34/19/80/1197341980.db2.gz KECLYHIPRWCEKX-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1ccc(F)cc1F)C(C)C ZINC001667440369 1197348753 /nfs/dbraw/zinc/34/87/53/1197348753.db2.gz IYMHOYOSGWKOSI-INIZCTEOSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1c(C)noc1C)C(C)C ZINC001667464165 1197351131 /nfs/dbraw/zinc/35/11/31/1197351131.db2.gz LSWDFTYWPXFYDN-INIZCTEOSA-N 0 3 321.465 3.124 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccc(C)c(C)c1)C(C)C ZINC001667519918 1197356281 /nfs/dbraw/zinc/35/62/81/1197356281.db2.gz QHNLUQGLTSPATN-QGZVFWFLSA-N 0 3 322.880 3.329 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001667656936 1197375330 /nfs/dbraw/zinc/37/53/30/1197375330.db2.gz QABPEOSAVYAUCS-UHFFFAOYSA-N 0 3 316.426 3.035 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)CC(C)(C)CC ZINC001668070477 1197398551 /nfs/dbraw/zinc/39/85/51/1197398551.db2.gz NKIRNNJGHMZLFG-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN CC[C@@H](NCCN(CC)C(=O)[C@H](C)C#N)c1ccc(F)cc1F ZINC001668387997 1197413478 /nfs/dbraw/zinc/41/34/78/1197413478.db2.gz GUINOGCZRXNKRZ-MLGOLLRUSA-N 0 3 323.387 3.014 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)CC(C)=C(C)C ZINC001668521643 1197418022 /nfs/dbraw/zinc/41/80/22/1197418022.db2.gz OMNRNSSVMIFITO-UHFFFAOYSA-N 0 3 319.474 3.304 20 30 DGEDHN C#CCNCCN(CC)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001668630162 1197422314 /nfs/dbraw/zinc/42/23/14/1197422314.db2.gz YRTFDIVHUHJIOT-UHFFFAOYSA-N 0 3 306.409 3.039 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001669543993 1197461927 /nfs/dbraw/zinc/46/19/27/1197461927.db2.gz APMJCJWMZVOLGX-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)Cc1ccc(C(C)C)cc1 ZINC001669806128 1197484902 /nfs/dbraw/zinc/48/49/02/1197484902.db2.gz KDLGYIUDKXVSLT-QGZVFWFLSA-N 0 3 314.473 3.406 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1cccc(C(F)F)c1 ZINC001669806543 1197486004 /nfs/dbraw/zinc/48/60/04/1197486004.db2.gz OXBZSSXWOPEHQS-AWEZNQCLSA-N 0 3 322.399 3.220 20 30 DGEDHN CCCc1ccc(CN(C)C[C@H](C)NC(=O)C#CC(C)C)cc1 ZINC001669807053 1197486432 /nfs/dbraw/zinc/48/64/32/1197486432.db2.gz ZJUKYYXGMDAOJU-KRWDZBQOSA-N 0 3 314.473 3.235 20 30 DGEDHN CCCc1ccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)C)cc1 ZINC001669807054 1197486526 /nfs/dbraw/zinc/48/65/26/1197486526.db2.gz ZJUKYYXGMDAOJU-QGZVFWFLSA-N 0 3 314.473 3.235 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669815728 1197486942 /nfs/dbraw/zinc/48/69/42/1197486942.db2.gz KKNRXSUNWYTKNQ-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669814837 1197487007 /nfs/dbraw/zinc/48/70/07/1197487007.db2.gz APJBWRNECWWPDV-HNNXBMFYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669888239 1197497749 /nfs/dbraw/zinc/49/77/49/1197497749.db2.gz NUSOXCFXJSQDJQ-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc2c1CC[C@H](C)C2 ZINC001669920871 1197504608 /nfs/dbraw/zinc/50/46/08/1197504608.db2.gz OFYHFUKEYCARQA-QWHCGFSZSA-N 0 3 306.475 3.109 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2cc(F)ccc2F)C1 ZINC001670241602 1197527229 /nfs/dbraw/zinc/52/72/29/1197527229.db2.gz LIKZNIPKFXQAGD-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN Cc1csc(NC(=O)NC[C@H]2CCCCN2C2CC2)c1C#N ZINC001671656678 1197558081 /nfs/dbraw/zinc/55/80/81/1197558081.db2.gz YGZDCPZBIKGUTM-CYBMUJFWSA-N 0 3 318.446 3.067 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001671913033 1197584469 /nfs/dbraw/zinc/58/44/69/1197584469.db2.gz WZXOYDFSHZHMTO-HNAYVOBHSA-N 0 3 318.436 3.334 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001672160556 1197593707 /nfs/dbraw/zinc/59/37/07/1197593707.db2.gz LPYJMOIMCPWQFY-YSFHWQLDSA-N 0 3 310.869 3.310 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccccc1)c1ccccc1CC ZINC001672176353 1197594743 /nfs/dbraw/zinc/59/47/43/1197594743.db2.gz IWXGFXUSPYFFNO-IBGZPJMESA-N 0 3 308.425 3.496 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccccc1)c1ccccc1CC ZINC001672176354 1197594809 /nfs/dbraw/zinc/59/48/09/1197594809.db2.gz IWXGFXUSPYFFNO-LJQANCHMSA-N 0 3 308.425 3.496 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(C)CCC1)c1ccccc1CC ZINC001672176160 1197594845 /nfs/dbraw/zinc/59/48/45/1197594845.db2.gz HIJCUDCQLGXQME-SFHVURJKSA-N 0 3 312.457 3.209 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cc(C)ccc2F)CCC1 ZINC001673198999 1197642919 /nfs/dbraw/zinc/64/29/19/1197642919.db2.gz PJHBWVQTLADWBJ-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001673633825 1197680763 /nfs/dbraw/zinc/68/07/63/1197680763.db2.gz LDYKREKTWFRQSR-RTBURBONSA-N 0 3 324.468 3.296 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC001673977679 1197714914 /nfs/dbraw/zinc/71/49/14/1197714914.db2.gz XQAQCXKTMBYQDY-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C[C@@H](C)c2ccco2)C(C)(C)C1 ZINC001674034704 1197726148 /nfs/dbraw/zinc/72/61/48/1197726148.db2.gz WTGBZCKGBHGYPS-GDBMZVCRSA-N 0 3 304.434 3.176 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2cc(C)ccc2n1 ZINC001674468889 1197781161 /nfs/dbraw/zinc/78/11/61/1197781161.db2.gz FGGZGUCSOHEHNM-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001674480430 1197784083 /nfs/dbraw/zinc/78/40/83/1197784083.db2.gz HJKLDOWOMJWUAQ-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN Cc1ccc(CN[C@H](C)[C@H](C)NC(=O)C#CC(C)C)c(Cl)c1 ZINC001674660001 1197824599 /nfs/dbraw/zinc/82/45/99/1197824599.db2.gz CLVZFYVMIZSEST-CABCVRRESA-N 0 3 320.864 3.291 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001674728662 1197849699 /nfs/dbraw/zinc/84/96/99/1197849699.db2.gz IDUWDUVFPVHBQA-QZTJIDSGSA-N 0 3 314.473 3.347 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001674736116 1197854313 /nfs/dbraw/zinc/85/43/13/1197854313.db2.gz UMBXJLYSGNMWGP-RYUDHWBXSA-N 0 3 323.506 3.345 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCC1(C)CC1 ZINC001674749035 1197858365 /nfs/dbraw/zinc/85/83/65/1197858365.db2.gz UPTLGFVRNNOWDR-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001674839862 1197889447 /nfs/dbraw/zinc/88/94/47/1197889447.db2.gz NWYWVHRMHXWUDT-ZNMIVQPWSA-N 0 3 312.885 3.249 20 30 DGEDHN CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)C=C(C)C ZINC001675214292 1198008026 /nfs/dbraw/zinc/00/80/26/1198008026.db2.gz QUQRNKNALOKOMJ-CQSZACIVSA-N 0 3 319.474 3.351 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001675269576 1198030207 /nfs/dbraw/zinc/03/02/07/1198030207.db2.gz KQRCKOVZFJJGBV-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)C1CN(CC2=CCCCC2)C1 ZINC001675297584 1198039612 /nfs/dbraw/zinc/03/96/12/1198039612.db2.gz CHXMASUCKBGDEF-INIZCTEOSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2C[C@H](CNCC(=C)Cl)C2)CCCCC1 ZINC001675832201 1198151478 /nfs/dbraw/zinc/15/14/78/1198151478.db2.gz FMNMYLXZWFHJEJ-WKILWMFISA-N 0 3 322.880 3.197 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001676355018 1198300567 /nfs/dbraw/zinc/30/05/67/1198300567.db2.gz FJRNMSVJFCMWSP-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(Cl)c(CCC)c1 ZINC001676461456 1198326290 /nfs/dbraw/zinc/32/62/90/1198326290.db2.gz KWJUFLCVLQBFFY-CQSZACIVSA-N 0 3 320.864 3.366 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cccc(C(C)C)n2)[C@@H]1C ZINC001676634258 1198355562 /nfs/dbraw/zinc/35/55/62/1198355562.db2.gz STBJOWRXIDLVKA-MAUKXSAKSA-N 0 3 315.461 3.250 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001676667375 1198361777 /nfs/dbraw/zinc/36/17/77/1198361777.db2.gz DQPXMTVALVQIGA-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN CC/C(C)=C/C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001676728731 1198375184 /nfs/dbraw/zinc/37/51/84/1198375184.db2.gz FKEDTNKSZUQIIK-XCEACWERSA-N 0 3 317.458 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(C)nc2C)C[C@H]1C ZINC001676734207 1198376424 /nfs/dbraw/zinc/37/64/24/1198376424.db2.gz BBFJFNMJDKPFAX-CRAIPNDOSA-N 0 3 315.461 3.134 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CC3(C)CCCC3)CCC[C@H]12 ZINC001676801991 1198390244 /nfs/dbraw/zinc/39/02/44/1198390244.db2.gz BXEABTFROUJIMA-QFBILLFUSA-N 0 3 302.462 3.093 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1cc(F)ccc1F)C(C)C ZINC001677208638 1198487791 /nfs/dbraw/zinc/48/77/91/1198487791.db2.gz HBNPVDWPBGMONO-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1nccc2ccccc21)C(C)C ZINC001677209317 1198490021 /nfs/dbraw/zinc/49/00/21/1198490021.db2.gz SXGLWNSUZGPDFS-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001677219481 1198493364 /nfs/dbraw/zinc/49/33/64/1198493364.db2.gz UJFBWUWWTDUVBJ-IAGOWNOFSA-N 0 3 306.494 3.251 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CCN(Cc2scnc2C)CC1 ZINC001677328638 1198516335 /nfs/dbraw/zinc/51/63/35/1198516335.db2.gz XSHDMVLVGTYJPS-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)/C=C(\C)C2CC2)c(F)c1 ZINC001677640282 1198565946 /nfs/dbraw/zinc/56/59/46/1198565946.db2.gz JTIJZQYWYAQGGE-UKTHLTGXSA-N 0 3 302.393 3.074 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC3CCC2CC3)CC1 ZINC001678668950 1198715054 /nfs/dbraw/zinc/71/50/54/1198715054.db2.gz ZHFNZWSTXRXGOQ-OFLPRAFFSA-N 0 3 319.493 3.152 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC(C)(C)CC(C)(C)C2)CC1 ZINC001678692103 1198718467 /nfs/dbraw/zinc/71/84/67/1198718467.db2.gz NRMCBTXWSHUWJD-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN CN1CCCC[C@@H]1CNC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001680246584 1198868560 /nfs/dbraw/zinc/86/85/60/1198868560.db2.gz STFIHLAOIDWTAP-MRXNPFEDSA-N 0 3 312.417 3.041 20 30 DGEDHN C=CCCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001682254504 1199145413 /nfs/dbraw/zinc/14/54/13/1199145413.db2.gz IMJPNVVCDCVFBP-SFHVURJKSA-N 0 3 315.461 3.307 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001683979765 1199325386 /nfs/dbraw/zinc/32/53/86/1199325386.db2.gz RIFPYJSRRMAWER-FUHWJXTLSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001684410210 1199382831 /nfs/dbraw/zinc/38/28/31/1199382831.db2.gz IJLFRIVGVFYTJV-IAGOWNOFSA-N 0 3 305.466 3.144 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001688891857 1199946877 /nfs/dbraw/zinc/94/68/77/1199946877.db2.gz YQONOIKKNIXEQY-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C[C@H](C(=O)N(C)C[C@@H]1CCN1CCCC)c1ccccc1 ZINC001688896486 1199949229 /nfs/dbraw/zinc/94/92/29/1199949229.db2.gz FLHMBSUSMYOFLY-ROUUACIJSA-N 0 3 300.446 3.289 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@H](C)F)CCCCC1 ZINC001688897809 1199950573 /nfs/dbraw/zinc/95/05/73/1199950573.db2.gz FCRIBQBMLYSDKA-DLBZAZTESA-N 0 3 322.468 3.241 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001688942818 1199967245 /nfs/dbraw/zinc/96/72/45/1199967245.db2.gz OTIMHTOFJVBKLY-MQMHXKEQSA-N 0 3 322.399 3.161 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2ccsc2)[C@H]1CC ZINC001689176747 1200051482 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C=C(Cl)CNCC[C@@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001754021014 1200074842 /nfs/dbraw/zinc/07/48/42/1200074842.db2.gz HYOSYQVHBUBRPP-CQSZACIVSA-N 0 3 308.853 3.201 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C1(CC)CCC1 ZINC001754062946 1200090425 /nfs/dbraw/zinc/09/04/25/1200090425.db2.gz VGRQBPBCMMODRL-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(Cl)s1 ZINC001754157099 1200116563 /nfs/dbraw/zinc/11/65/63/1200116563.db2.gz RAHHHUHNCZXZKB-WAYWQWQTSA-N 0 3 312.866 3.376 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001754322871 1200211736 /nfs/dbraw/zinc/21/17/36/1200211736.db2.gz KFWYHIAAMOUQLF-KSSFIOAISA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001754327693 1200219282 /nfs/dbraw/zinc/21/92/82/1200219282.db2.gz HCHHJQVONYWSKN-HNNXBMFYSA-N 0 3 302.462 3.149 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1nc(C)cs1 ZINC001754339890 1200234311 /nfs/dbraw/zinc/23/43/11/1200234311.db2.gz IJRKJTYOCXMBEM-CABCVRRESA-N 0 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C#CCN(CCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC001689998006 1200361133 /nfs/dbraw/zinc/36/11/33/1200361133.db2.gz ZIJCBIHLFLEHPQ-PMACEKPBSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(F)c(Cl)c1)C1CC1 ZINC001690002676 1200363727 /nfs/dbraw/zinc/36/37/27/1200363727.db2.gz PLIUZHCXLBNMDA-UHFFFAOYSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001690045465 1200382340 /nfs/dbraw/zinc/38/23/40/1200382340.db2.gz SQUZZLJONULHFS-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001690103394 1200400038 /nfs/dbraw/zinc/40/00/38/1200400038.db2.gz NEQSMNYYZAZFGU-IEBWSBKVSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001754631585 1200408096 /nfs/dbraw/zinc/40/80/96/1200408096.db2.gz VFGBDOJWCCNEJF-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@@H](C)C1CC1)c1ccc2ccccc2c1 ZINC001754644282 1200412202 /nfs/dbraw/zinc/41/22/02/1200412202.db2.gz RTWDAYYRUADEPB-YWZLYKJASA-N 0 3 320.436 3.266 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(CCCC)CC1)C2 ZINC001754661736 1200424267 /nfs/dbraw/zinc/42/42/67/1200424267.db2.gz KIXKXGFOTJAPAX-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001754679261 1200439516 /nfs/dbraw/zinc/43/95/16/1200439516.db2.gz OKJHKSFGSLPFQS-KSSFIOAISA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001754681994 1200441569 /nfs/dbraw/zinc/44/15/69/1200441569.db2.gz KFTNJJLAPQPEQG-DNVCBOLYSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001754687307 1200447963 /nfs/dbraw/zinc/44/79/63/1200447963.db2.gz NKKWVTCBPQZWKX-KXBFYZLASA-N 0 3 316.445 3.189 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC/C(Cl)=C/Cl)C1 ZINC001754796620 1200493565 /nfs/dbraw/zinc/49/35/65/1200493565.db2.gz DVUYPRYXCCLYGE-LSOFDGFXSA-N 0 3 319.276 3.344 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC/C=C\c1ccccc1 ZINC001754871072 1200527572 /nfs/dbraw/zinc/52/75/72/1200527572.db2.gz YIUVWIFTRSVAII-LFXAIAOTSA-N 0 3 322.452 3.179 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001690391596 1200534161 /nfs/dbraw/zinc/53/41/61/1200534161.db2.gz DWHQOQXVXZCLDC-DLBZAZTESA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CNCc2c(F)cccc2F)C1 ZINC001690400730 1200540197 /nfs/dbraw/zinc/54/01/97/1200540197.db2.gz VPZUYSTVBJUGBO-CQSZACIVSA-N 0 3 322.399 3.259 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)c1ccco1 ZINC001754946395 1200548219 /nfs/dbraw/zinc/54/82/19/1200548219.db2.gz GXQRLUFIGCYCNU-MRXNPFEDSA-N 0 3 324.424 3.155 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CCCC12CC2 ZINC001754945905 1200548305 /nfs/dbraw/zinc/54/83/05/1200548305.db2.gz NFFBXFVCQQBMOP-LJQANCHMSA-N 0 3 324.468 3.338 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cccn2CC)cc1 ZINC001754951548 1200553613 /nfs/dbraw/zinc/55/36/13/1200553613.db2.gz XQDFVNJZVSNPCP-MRXNPFEDSA-N 0 3 323.440 3.112 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCCN1CC=C(C)C ZINC001690451112 1200565059 /nfs/dbraw/zinc/56/50/59/1200565059.db2.gz XYFGSZUROJLKSF-HKUYNNGSSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1sc(C)cc1C ZINC001690459518 1200573405 /nfs/dbraw/zinc/57/34/05/1200573405.db2.gz PROGNFRXWMBOIJ-OAHLLOKOSA-N 0 3 306.475 3.064 20 30 DGEDHN CC#CCNC1(CNC(=O)C2CC(C)(C)CC(C)(C)C2)CCC1 ZINC001754989172 1200573913 /nfs/dbraw/zinc/57/39/13/1200573913.db2.gz JWXPXILJXZYUFJ-UHFFFAOYSA-N 0 3 318.505 3.491 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001690460093 1200575434 /nfs/dbraw/zinc/57/54/34/1200575434.db2.gz ZHAFWCPOVLQJMB-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccc(C3=CCCC3)cc2)CCC1 ZINC001754995873 1200579726 /nfs/dbraw/zinc/57/97/26/1200579726.db2.gz OYRKQFBQWNSYFY-UHFFFAOYSA-N 0 3 308.425 3.129 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001755028691 1200590554 /nfs/dbraw/zinc/59/05/54/1200590554.db2.gz PCPIUJQHVFXIOS-CYBMUJFWSA-N 0 3 306.372 3.266 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCC2CCCC2)C1 ZINC001690492740 1200590699 /nfs/dbraw/zinc/59/06/99/1200590699.db2.gz UJNNFEWAKXJFFC-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C=C(C)C ZINC001755073595 1200627628 /nfs/dbraw/zinc/62/76/28/1200627628.db2.gz AEZWAJGOGIDDHH-LJQANCHMSA-N 0 3 312.457 3.462 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](C)N[C@@H](C)c2ccccc2F)cc1 ZINC001690610258 1200646815 /nfs/dbraw/zinc/64/68/15/1200646815.db2.gz JVBAFFMJPBVMGC-GJZGRUSLSA-N 0 3 324.399 3.276 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001690614665 1200650366 /nfs/dbraw/zinc/65/03/66/1200650366.db2.gz NLOPFLHULIDGBR-HNNXBMFYSA-N 0 3 320.864 3.436 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2sc(C)nc2C)CCC1 ZINC001690619498 1200653461 /nfs/dbraw/zinc/65/34/61/1200653461.db2.gz WSFLLQWZFXVBSE-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(CC)CCCCC2)C[C@@H]1C ZINC001755165692 1200671912 /nfs/dbraw/zinc/67/19/12/1200671912.db2.gz QCNYDVOYWQFZTJ-IRXDYDNUSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CCCC#CC ZINC001755172489 1200677580 /nfs/dbraw/zinc/67/75/80/1200677580.db2.gz SDAYFCLGCODTON-HXUWFJFHSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CCc2ccccc21 ZINC001755211852 1200704493 /nfs/dbraw/zinc/70/44/93/1200704493.db2.gz XGVAPHBSNOVCHS-ZWKOTPCHSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001690802073 1200721497 /nfs/dbraw/zinc/72/14/97/1200721497.db2.gz IOKRTNRIZQMEHW-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001690814206 1200728842 /nfs/dbraw/zinc/72/88/42/1200728842.db2.gz CCQAKDKXXGUESA-AZUAARDMSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001755248013 1200733858 /nfs/dbraw/zinc/73/38/58/1200733858.db2.gz FSUGVMMSTLENDO-KGLIPLIRSA-N 0 3 306.425 3.329 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC001690835844 1200742663 /nfs/dbraw/zinc/74/26/63/1200742663.db2.gz NQCJWWLKEYTQKS-KGLIPLIRSA-N 0 3 315.417 3.339 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001755258874 1200743077 /nfs/dbraw/zinc/74/30/77/1200743077.db2.gz WTOXAQFQVRJHOM-UONOGXRCSA-N 0 3 321.490 3.429 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1CCC(F)CC1 ZINC001755286497 1200762335 /nfs/dbraw/zinc/76/23/35/1200762335.db2.gz SEBHTZCUXGNDRF-UHFFFAOYSA-N 0 3 318.864 3.341 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)CCc1ccccc1F ZINC001755303211 1200784021 /nfs/dbraw/zinc/78/40/21/1200784021.db2.gz MAWJOWFUSPNDSZ-HNNXBMFYSA-N 0 3 320.452 3.407 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)C/C=C/c2ccccc2)C1 ZINC001755314251 1200798761 /nfs/dbraw/zinc/79/87/61/1200798761.db2.gz DGKHQWRSRMMHSG-VGMNTSGFSA-N 0 3 312.457 3.493 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@]12C[C@@H]1CCCC2)c1ccccc1 ZINC001691795943 1200810293 /nfs/dbraw/zinc/81/02/93/1200810293.db2.gz ATJQYTBVGZKANC-NSHGMRRFSA-N 0 3 310.441 3.037 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@]12C[C@H]1CCCC2)c1ccccc1 ZINC001691795945 1200810927 /nfs/dbraw/zinc/81/09/27/1200810927.db2.gz ATJQYTBVGZKANC-QWFCFKBJSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC001691797276 1200811713 /nfs/dbraw/zinc/81/17/13/1200811713.db2.gz SROSXKDYNGWFFJ-DOTOQJQBSA-N 0 3 312.413 3.325 20 30 DGEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)C(C)(C)C)C2 ZINC001691808594 1200817293 /nfs/dbraw/zinc/81/72/93/1200817293.db2.gz FUXOUIVOOQLLHS-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccc(OC)cc2)C1 ZINC001691866913 1200847275 /nfs/dbraw/zinc/84/72/75/1200847275.db2.gz JOZNWINNXAIPTL-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001755374611 1200861519 /nfs/dbraw/zinc/86/15/19/1200861519.db2.gz SFQUMYFRASXOGJ-QGZVFWFLSA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001755383117 1200866182 /nfs/dbraw/zinc/86/61/82/1200866182.db2.gz TVBXADDFTBWOJY-MRXNPFEDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001755399913 1200875627 /nfs/dbraw/zinc/87/56/27/1200875627.db2.gz USAKXEWPGKZJRI-PKOBYXMFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001755410978 1200885422 /nfs/dbraw/zinc/88/54/22/1200885422.db2.gz DHTPTLOXSWEPLZ-DLBZAZTESA-N 0 3 322.493 3.127 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C(C)(C)C1 ZINC001755416375 1200892187 /nfs/dbraw/zinc/89/21/87/1200892187.db2.gz SQBSJYZDKXVWRX-OAHLLOKOSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)CCC)C[C@]2(C)C1 ZINC001755460885 1200904795 /nfs/dbraw/zinc/90/47/95/1200904795.db2.gz OGEDWIWJFQVRNL-YTQUADARSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCCC1(C)C ZINC001755513039 1200927523 /nfs/dbraw/zinc/92/75/23/1200927523.db2.gz JEUISIKXQOANRF-UONOGXRCSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCCF)c1ccccc1 ZINC001692101273 1200929088 /nfs/dbraw/zinc/92/90/88/1200929088.db2.gz AZLFJTJMBUEZBM-NJAFHUGGSA-N 0 3 318.436 3.142 20 30 DGEDHN CCCc1ccc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)cc1 ZINC001692160910 1200952736 /nfs/dbraw/zinc/95/27/36/1200952736.db2.gz BVVAVBGLIPDWTF-UZLBHIALSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCCOC)C2)CCCC1 ZINC001692162397 1200954628 /nfs/dbraw/zinc/95/46/28/1200954628.db2.gz UFHZMMOGGGCEME-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cccc(Cl)c2)[C@H]1C ZINC001692188583 1200962010 /nfs/dbraw/zinc/96/20/10/1200962010.db2.gz MHXGWDRVPOBOMH-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN CC[C@H](F)CN1CC[C@H](NC(=O)C#CC(C)(C)C)CC(C)(C)C1 ZINC001692275439 1201000645 /nfs/dbraw/zinc/00/06/45/1201000645.db2.gz HEBNUGCZYQGMOC-HOTGVXAUSA-N 0 3 324.484 3.391 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C(CC(C)C)CC(C)C)CCC[C@H]12 ZINC001755703991 1201027020 /nfs/dbraw/zinc/02/70/20/1201027020.db2.gz GIKFCYPFFHPYOJ-AZUAARDMSA-N 0 3 318.505 3.441 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001692362602 1201038496 /nfs/dbraw/zinc/03/84/96/1201038496.db2.gz JOZGZJNQEQROPE-PMACEKPBSA-N 0 3 324.468 3.098 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCOCC2CCC2)[C@@H]1C ZINC001755719403 1201039038 /nfs/dbraw/zinc/03/90/38/1201039038.db2.gz YNCDXTOVEFTPJQ-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)c1ccccc1 ZINC001692384148 1201046813 /nfs/dbraw/zinc/04/68/13/1201046813.db2.gz AZMXKBIMYVQZBZ-SLFFLAALSA-N 0 3 324.468 3.432 20 30 DGEDHN CCc1cccc(CN2CCC[C@H](NC(=O)C#CC3CC3)[C@@H]2C)c1 ZINC001755731735 1201051734 /nfs/dbraw/zinc/05/17/34/1201051734.db2.gz POWLJVGWUMPPAH-JXFKEZNVSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cncc2sccc21)C(C)C ZINC001755811866 1201074607 /nfs/dbraw/zinc/07/46/07/1201074607.db2.gz CZASXTHTOOHMON-UHFFFAOYSA-N 0 3 317.458 3.265 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCc1cncc(C)c1)C(C)C ZINC001755811775 1201075233 /nfs/dbraw/zinc/07/52/33/1201075233.db2.gz GWBQEWQLFOMYIU-UHFFFAOYSA-N 0 3 317.477 3.068 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCCC1(F)F)C(C)C ZINC001755813858 1201078191 /nfs/dbraw/zinc/07/81/91/1201078191.db2.gz GYELLEDYSQTHFA-OAHLLOKOSA-N 0 3 314.420 3.004 20 30 DGEDHN CC(C)(C)[C@H](CNCC#Cc1ccccc1)NC(=O)C1=CCCC1 ZINC001755819380 1201087176 /nfs/dbraw/zinc/08/71/76/1201087176.db2.gz CRPMVZORCDTEFA-IBGZPJMESA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1c(C)noc1C)C(C)(C)C ZINC001755826013 1201091381 /nfs/dbraw/zinc/09/13/81/1201091381.db2.gz ZBGIQCQFBGSPSL-INIZCTEOSA-N 0 3 321.465 3.268 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H]3CCC[C@H]3C)CC2)CC1 ZINC001755868692 1201115359 /nfs/dbraw/zinc/11/53/59/1201115359.db2.gz CYLJPRMTTVXTFJ-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cc1 ZINC001698559679 1201229453 /nfs/dbraw/zinc/22/94/53/1201229453.db2.gz PYIOGWQSXJKAQJ-MAUKXSAKSA-N 0 3 313.445 3.002 20 30 DGEDHN CCCCCCCN1CC[C@H](N(C)C(=O)C(=O)C(C)(C)C)C1 ZINC001698559094 1201230878 /nfs/dbraw/zinc/23/08/78/1201230878.db2.gz IZABJZFGDYHPCU-HNNXBMFYSA-N 0 3 310.482 3.105 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001698585583 1201260044 /nfs/dbraw/zinc/26/00/44/1201260044.db2.gz FNIYUGPPUOWBHC-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)c2cccs2)C1 ZINC001698587629 1201261565 /nfs/dbraw/zinc/26/15/65/1201261565.db2.gz XHLJOOBOBWLKGW-HUUCEWRRSA-N 0 3 306.475 3.351 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001698588048 1201263574 /nfs/dbraw/zinc/26/35/74/1201263574.db2.gz MPBBLIOHUJJXLE-KGLIPLIRSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1cc(F)cc(F)c1 ZINC001698599874 1201270592 /nfs/dbraw/zinc/27/05/92/1201270592.db2.gz HHCUELWWOLIZBF-INIZCTEOSA-N 0 3 310.388 3.306 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001698598782 1201271033 /nfs/dbraw/zinc/27/10/33/1201271033.db2.gz ZUTBECTYGBYCJX-OJSRQPNCSA-N 0 3 316.420 3.018 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1ccc(F)c(F)c1 ZINC001698608286 1201277752 /nfs/dbraw/zinc/27/77/52/1201277752.db2.gz IAIHQMYOTMBAHX-ZDUSSCGKSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H](C)n1cccc1)C1CC1 ZINC001698653112 1201317216 /nfs/dbraw/zinc/31/72/16/1201317216.db2.gz OBFYMWBDOIETMI-YOEHRIQHSA-N 0 3 323.868 3.066 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1cc2ccccc2o1 ZINC001698727866 1201371266 /nfs/dbraw/zinc/37/12/66/1201371266.db2.gz SOTRQKSDAMUZNJ-MRXNPFEDSA-N 0 3 312.413 3.480 20 30 DGEDHN CC(C)=CC(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001698868982 1201526526 /nfs/dbraw/zinc/52/65/26/1201526526.db2.gz DJONKZHCBNQMFU-IBGZPJMESA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC(C)(C)C1)C(C)C ZINC001698971295 1201624745 /nfs/dbraw/zinc/62/47/45/1201624745.db2.gz HDWCQSZXCHRAAU-KBPBESRZSA-N 0 3 300.874 3.296 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)CCNCc2ccccc2C#N)CCC1 ZINC001699125223 1201720879 /nfs/dbraw/zinc/72/08/79/1201720879.db2.gz MVESIYJUSHPAII-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)[C@H]1C ZINC001750933547 1201730345 /nfs/dbraw/zinc/73/03/45/1201730345.db2.gz GINRKMJTBYGHJI-OLMNPRSZSA-N 0 3 318.436 3.474 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1ccc(F)c(F)c1 ZINC001699183204 1201745573 /nfs/dbraw/zinc/74/55/73/1201745573.db2.gz OTXTUYDICYACIW-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C(C)(CC)CC ZINC001699218880 1201758480 /nfs/dbraw/zinc/75/84/80/1201758480.db2.gz CFVBCXDUMQZJBZ-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CCCc1ccccc1Cl ZINC001751988474 1201761930 /nfs/dbraw/zinc/76/19/30/1201761930.db2.gz SHCDBHMTDZHLIO-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001752411560 1201833449 /nfs/dbraw/zinc/83/34/49/1201833449.db2.gz LRDKNRPNAHSAPV-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001699419576 1201852533 /nfs/dbraw/zinc/85/25/33/1201852533.db2.gz JOBHKKUGDVEKEO-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001752632494 1201881354 /nfs/dbraw/zinc/88/13/54/1201881354.db2.gz HBCISWSYOOUFNC-MXVIHJGJSA-N 0 3 322.452 3.043 20 30 DGEDHN CC(C)CCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001699460404 1201897874 /nfs/dbraw/zinc/89/78/74/1201897874.db2.gz NIIXZHVRVWSGNV-INIZCTEOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC001699472436 1201918103 /nfs/dbraw/zinc/91/81/03/1201918103.db2.gz UGGWIFJDKHDVMP-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC001699472435 1201918442 /nfs/dbraw/zinc/91/84/42/1201918442.db2.gz UGGWIFJDKHDVMP-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001752825056 1201952680 /nfs/dbraw/zinc/95/26/80/1201952680.db2.gz KQMGRENSEOVLTD-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1cc(C)ns1)C1CC1 ZINC001699590741 1201962138 /nfs/dbraw/zinc/96/21/38/1201962138.db2.gz VFJAXFDSOGCETL-WBVHZDCISA-N 0 3 321.490 3.038 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001752838603 1201963371 /nfs/dbraw/zinc/96/33/71/1201963371.db2.gz UONHGGMTGIQTOT-SJLPKXTDSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cscn2)[C@H](CC)C1 ZINC001699609087 1201973165 /nfs/dbraw/zinc/97/31/65/1201973165.db2.gz YVZHDGHGRULIRZ-ZBFHGGJFSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1CCCc1ccc(Cl)cc1 ZINC001699614421 1201978928 /nfs/dbraw/zinc/97/89/28/1201978928.db2.gz YVTCKNPWHNIDSS-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001752881932 1201991824 /nfs/dbraw/zinc/99/18/24/1201991824.db2.gz KQOHADIYILEUMG-CHWSQXEVSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001699649995 1202015460 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C=C(C)CCC(=O)NCCN(CC)Cc1ccc2c(c1)COC2 ZINC001753082318 1202113271 /nfs/dbraw/zinc/11/32/71/1202113271.db2.gz GJDZHQXDQMAYEB-UHFFFAOYSA-N 0 3 316.445 3.011 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001699862495 1202118663 /nfs/dbraw/zinc/11/86/63/1202118663.db2.gz WOIUOHSAZHAOJH-VQIMIIECSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001699869894 1202124788 /nfs/dbraw/zinc/12/47/88/1202124788.db2.gz VESOJTKVXNOSQG-GOSISDBHSA-N 0 3 322.399 3.291 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001699879494 1202135404 /nfs/dbraw/zinc/13/54/04/1202135404.db2.gz QEWWMVHOHZFAFF-XLIONFOSSA-N 0 3 314.473 3.270 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001699928461 1202138953 /nfs/dbraw/zinc/13/89/53/1202138953.db2.gz SWONWPYPVXNRBP-YSFHWQLDSA-N 0 3 310.869 3.310 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001699928459 1202138971 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C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001700017904 1202166852 /nfs/dbraw/zinc/16/68/52/1202166852.db2.gz SWKDWVCYLOYDLS-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C1CCC1 ZINC001700091169 1202177512 /nfs/dbraw/zinc/17/75/12/1202177512.db2.gz OJUBSHJBGCNGOU-INIZCTEOSA-N 0 3 312.457 3.194 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)/C=C/c1ccc[nH]1 ZINC001700092411 1202178157 /nfs/dbraw/zinc/17/81/57/1202178157.db2.gz XDGJILIFDAKEIV-ZHACJKMWSA-N 0 3 323.440 3.352 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(OC(C)C)cc1)C1CC1 ZINC001753163235 1202178673 /nfs/dbraw/zinc/17/86/73/1202178673.db2.gz RRXJSMQTJPHKHT-UHFFFAOYSA-N 0 3 316.445 3.244 20 30 DGEDHN C#CCCCCCC(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001700106344 1202182748 /nfs/dbraw/zinc/18/27/48/1202182748.db2.gz MVKKLCCTRDRHBE-YRNVUSSQSA-N 0 3 322.880 3.247 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cnccc2C)CCC1 ZINC001700135202 1202188625 /nfs/dbraw/zinc/18/86/25/1202188625.db2.gz FQQOJOZORUJIMI-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(CC(C)C)cc2)CCC1 ZINC001700140188 1202190624 /nfs/dbraw/zinc/19/06/24/1202190624.db2.gz IIEBPHVAFHYJBM-UHFFFAOYSA-N 0 3 312.457 3.151 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2scnc2C)CC1 ZINC001700177741 1202196608 /nfs/dbraw/zinc/19/66/08/1202196608.db2.gz SFBKTYPDYIRNDL-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC001753299103 1202200102 /nfs/dbraw/zinc/20/01/02/1202200102.db2.gz SQNZKPOSWNWKJU-MOPGFXCFSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCN(C)Cc1cc(F)cc(F)c1 ZINC001700190828 1202205278 /nfs/dbraw/zinc/20/52/78/1202205278.db2.gz VUAZWTWGKOPCMJ-UHFFFAOYSA-N 0 3 324.415 3.457 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2c(C)nsc2C)C1 ZINC001753323097 1202210083 /nfs/dbraw/zinc/21/00/83/1202210083.db2.gz LCQULJZSLUDYTI-OAHLLOKOSA-N 0 3 321.490 3.263 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001700258545 1202219336 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CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CC1 ZINC001753422042 1202248054 /nfs/dbraw/zinc/24/80/54/1202248054.db2.gz HGFFBSOLTZOYST-IRXDYDNUSA-N 0 3 304.478 3.432 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCCOC1 ZINC001753425971 1202249526 /nfs/dbraw/zinc/24/95/26/1202249526.db2.gz IAVWSDAABHZOSB-LNLFQRSKSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001700365354 1202251687 /nfs/dbraw/zinc/25/16/87/1202251687.db2.gz OTZVNLHKIGYLAX-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001700366916 1202253026 /nfs/dbraw/zinc/25/30/26/1202253026.db2.gz ZZUHJVQEXAWDDG-ROUUACIJSA-N 0 3 318.436 3.428 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)C ZINC001700397695 1202262001 /nfs/dbraw/zinc/26/20/01/1202262001.db2.gz RERDDMRIHHFZSL-GJZGRUSLSA-N 0 3 320.864 3.291 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001753456593 1202262487 /nfs/dbraw/zinc/26/24/87/1202262487.db2.gz 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CC/C=C(\C)C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001700650801 1202329407 /nfs/dbraw/zinc/32/94/07/1202329407.db2.gz DKSDRMGLFUMQEH-WPBGYSLVSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCCNCc2cc(C)no2)CC1 ZINC001700671605 1202331966 /nfs/dbraw/zinc/33/19/66/1202331966.db2.gz APYZACIMSMHULX-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001753779394 1202332434 /nfs/dbraw/zinc/33/24/34/1202332434.db2.gz JPTKQGAWOJDHQG-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001700675230 1202332642 /nfs/dbraw/zinc/33/26/42/1202332642.db2.gz CYRSQHDATYLYIP-OLZOCXBDSA-N 0 3 314.882 3.479 20 30 DGEDHN CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001753803058 1202336652 /nfs/dbraw/zinc/33/66/52/1202336652.db2.gz ISKOQVFDVZFBRP-HKUYNNGSSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1cccc(F)c1F)C1CC1 ZINC001700723005 1202342733 /nfs/dbraw/zinc/34/27/33/1202342733.db2.gz ZKROWHKODQWSBU-MRXNPFEDSA-N 0 3 322.399 3.258 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC001700779786 1202354197 /nfs/dbraw/zinc/35/41/97/1202354197.db2.gz FTFNYFYAAUYVOY-HZPDHXFCSA-N 0 3 300.446 3.274 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)[C@H]1C ZINC001700818733 1202355411 /nfs/dbraw/zinc/35/54/11/1202355411.db2.gz ZFIJNTORVSLREB-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cnc(C)s2)C[C@@H]1C ZINC001700837578 1202357587 /nfs/dbraw/zinc/35/75/87/1202357587.db2.gz KTVSSPSNBRWTGF-JSGCOSHPSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001700840264 1202357962 /nfs/dbraw/zinc/35/79/62/1202357962.db2.gz HIIHGDJSFORAPA-RDJZCZTQSA-N 0 3 322.408 3.163 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001700845338 1202358129 /nfs/dbraw/zinc/35/81/29/1202358129.db2.gz ZCJSFEJABQNQSR-GOEBONIOSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001700856145 1202359675 /nfs/dbraw/zinc/35/96/75/1202359675.db2.gz OHTNGLGKUAHDDK-HKUYNNGSSA-N 0 3 314.429 3.085 20 30 DGEDHN C=CCCC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001700856145 1202359676 /nfs/dbraw/zinc/35/96/76/1202359676.db2.gz OHTNGLGKUAHDDK-HKUYNNGSSA-N 0 3 314.429 3.085 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cnccc2C)C(C)(C)C1 ZINC001700919209 1202370027 /nfs/dbraw/zinc/37/00/27/1202370027.db2.gz VFBZSLZAZNFPLA-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001701006495 1202380126 /nfs/dbraw/zinc/38/01/26/1202380126.db2.gz HLPPEKRHTYMRSB-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)c3cccc(C)c3)CC2)CC1 ZINC001701031311 1202383801 /nfs/dbraw/zinc/38/38/01/1202383801.db2.gz XKSJYGXNVRCZCE-QGZVFWFLSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2c(C)cccc2Cl)CC1 ZINC001701052267 1202385242 /nfs/dbraw/zinc/38/52/42/1202385242.db2.gz XPFJBESETQLOJJ-UHFFFAOYSA-N 0 3 318.848 3.125 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2oc(C)cc2C)c(F)c1 ZINC001701063577 1202386097 /nfs/dbraw/zinc/38/60/97/1202386097.db2.gz NUQDYVDPCKDXMM-UHFFFAOYSA-N 0 3 316.376 3.241 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2CCCCC2)c(F)c1 ZINC001701063936 1202386793 /nfs/dbraw/zinc/38/67/93/1202386793.db2.gz BWGBKIWMKRVELZ-UHFFFAOYSA-N 0 3 304.409 3.298 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)C(C)(C)C)c(F)c1 ZINC001701065571 1202386832 /nfs/dbraw/zinc/38/68/32/1202386832.db2.gz JKJIHYJDTQIEBU-CYBMUJFWSA-N 0 3 306.425 3.400 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001707056198 1202570470 /nfs/dbraw/zinc/57/04/70/1202570470.db2.gz VLZZZKQESXVZEL-CABCVRRESA-N 0 3 319.449 3.128 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001707056202 1202570473 /nfs/dbraw/zinc/57/04/73/1202570473.db2.gz VLZZZKQESXVZEL-LSDHHAIUSA-N 0 3 319.449 3.128 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CCCCC1 ZINC001707059742 1202570932 /nfs/dbraw/zinc/57/09/32/1202570932.db2.gz UQVFBVPIISLGAT-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001707062411 1202571112 /nfs/dbraw/zinc/57/11/12/1202571112.db2.gz NAPNNDWGARVUQK-QWHCGFSZSA-N 0 3 310.438 3.388 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001707063851 1202571177 /nfs/dbraw/zinc/57/11/77/1202571177.db2.gz RSJYBRTVDIQMHV-MSOLQXFVSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001707086202 1202572550 /nfs/dbraw/zinc/57/25/50/1202572550.db2.gz BKQWESAAXXSUOO-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001707125719 1202574006 /nfs/dbraw/zinc/57/40/06/1202574006.db2.gz SULNZQTXBACADF-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C[C@H]1C)CCN(CC#CC)CC2 ZINC001707125716 1202574046 /nfs/dbraw/zinc/57/40/46/1202574046.db2.gz SULNZQTXBACADF-QZTJIDSGSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C1=CCCC1 ZINC001707140532 1202574489 /nfs/dbraw/zinc/57/44/89/1202574489.db2.gz LSODYAGVMBBRID-CZUORRHYSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001707272144 1202579938 /nfs/dbraw/zinc/57/99/38/1202579938.db2.gz WQYHYBSJTVOLFS-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1CC(F)(F)C1 ZINC001707429194 1202584103 /nfs/dbraw/zinc/58/41/03/1202584103.db2.gz ARAYAQVERZNAGK-AAEUAGOBSA-N 0 3 320.811 3.143 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ncccc1C ZINC001707441999 1202585134 /nfs/dbraw/zinc/58/51/34/1202585134.db2.gz RHABRADYEDOHOU-SJLPKXTDSA-N 0 3 315.461 3.215 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCc2ccc3c(c2)OCO3)C1 ZINC000158447595 1202603750 /nfs/dbraw/zinc/60/37/50/1202603750.db2.gz GGGPYXJJMWXSAG-UHFFFAOYSA-N 0 3 306.365 3.129 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001712970749 1202607552 /nfs/dbraw/zinc/60/75/52/1202607552.db2.gz KRDPJZAIZQKBQX-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN CC#CCCCC(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001713020674 1202610661 /nfs/dbraw/zinc/61/06/61/1202610661.db2.gz XOLHGYWOFWWPLO-UHFFFAOYSA-N 0 3 324.468 3.060 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCCC[C@@H]1CC)C1CC1 ZINC001713047362 1202612622 /nfs/dbraw/zinc/61/26/22/1202612622.db2.gz MTSHMSQKZRKYCD-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001713083266 1202615307 /nfs/dbraw/zinc/61/53/07/1202615307.db2.gz XCXHCWOEUUNUCD-LBPRGKRZSA-N 0 3 312.866 3.480 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001713094908 1202616535 /nfs/dbraw/zinc/61/65/35/1202616535.db2.gz JLXFHESTCRDGHZ-IRXDYDNUSA-N 0 3 322.468 3.289 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001713097669 1202616668 /nfs/dbraw/zinc/61/66/68/1202616668.db2.gz XDKXEJNUJSVVMI-FPTQRPOBSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cc(C)sn2)CC1 ZINC001713099550 1202616875 /nfs/dbraw/zinc/61/68/75/1202616875.db2.gz UPDROPHFJFCYCV-UHFFFAOYSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001713101242 1202617201 /nfs/dbraw/zinc/61/72/01/1202617201.db2.gz QAYSEEYIWMMIGC-IAGOWNOFSA-N 0 3 316.445 3.272 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001713114238 1202618319 /nfs/dbraw/zinc/61/83/19/1202618319.db2.gz GRHCCFRKBGWSQN-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001713142859 1202621741 /nfs/dbraw/zinc/62/17/41/1202621741.db2.gz JZGSJOXBUMFFNO-FJIDUMEYSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C(F)(F)F ZINC001713144557 1202621966 /nfs/dbraw/zinc/62/19/66/1202621966.db2.gz SZHPLMJWTZBRLV-BETUJISGSA-N 0 3 318.383 3.216 20 30 DGEDHN C[C@@H]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001713198762 1202625917 /nfs/dbraw/zinc/62/59/17/1202625917.db2.gz HUWKRGJZBXHNOX-MDNKFWRPSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001713220186 1202628560 /nfs/dbraw/zinc/62/85/60/1202628560.db2.gz GQDQGUADELTENF-ZWKOTPCHSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC1CCC(OC)CC1 ZINC001713260046 1202632969 /nfs/dbraw/zinc/63/29/69/1202632969.db2.gz QNADZJKNDOLHEO-ADKAHSJRSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@H](C)CC)cc1 ZINC001713383891 1202643557 /nfs/dbraw/zinc/64/35/57/1202643557.db2.gz LICHCIGCNZYIMH-CYBMUJFWSA-N 0 3 308.853 3.234 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001713465971 1202653928 /nfs/dbraw/zinc/65/39/28/1202653928.db2.gz KVWNXZPLTXTPGJ-IBGZPJMESA-N 0 3 302.462 3.454 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001713466092 1202654030 /nfs/dbraw/zinc/65/40/30/1202654030.db2.gz OWVWQBDDFWQKAD-IBGZPJMESA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C1(c2ccccc2C)CCC1 ZINC001713518086 1202664114 /nfs/dbraw/zinc/66/41/14/1202664114.db2.gz DIENHQQWCHRDBM-QGZVFWFLSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001713520224 1202664398 /nfs/dbraw/zinc/66/43/98/1202664398.db2.gz QDKMQNSDJDYLLW-SJLPKXTDSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cscc1C(F)F)C1CC1 ZINC001713556875 1202670174 /nfs/dbraw/zinc/67/01/74/1202670174.db2.gz CVSQBYQZYXPZSL-UHFFFAOYSA-N 0 3 314.401 3.456 20 30 DGEDHN C#CCCCC(=O)NCCN(Cc1ccc2c(c1)CCC2)C1CC1 ZINC001713555912 1202670244 /nfs/dbraw/zinc/67/02/44/1202670244.db2.gz UOVDPPWOAHHDNW-UHFFFAOYSA-N 0 3 324.468 3.059 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC001713562928 1202671016 /nfs/dbraw/zinc/67/10/16/1202671016.db2.gz RZMNRCUNXRXVGW-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN CCCC(=O)NCCCN(CC#Cc1ccc(F)cc1)C(C)C ZINC001713684478 1202676859 /nfs/dbraw/zinc/67/68/59/1202676859.db2.gz SKISXGIOFJMFPA-UHFFFAOYSA-N 0 3 318.436 3.194 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001713697113 1202678111 /nfs/dbraw/zinc/67/81/11/1202678111.db2.gz DBOCYJZHXQFVFS-SNRMKQJTSA-N 0 3 312.457 3.236 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccccc1CC)c1ccccc1 ZINC001713700090 1202678567 /nfs/dbraw/zinc/67/85/67/1202678567.db2.gz ATKQFGVSGVXHGM-FQEVSTJZSA-N 0 3 320.436 3.333 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001713704310 1202678878 /nfs/dbraw/zinc/67/88/78/1202678878.db2.gz DDHKTLAQZJPCNZ-FXAWDEMLSA-N 0 3 320.436 3.261 20 30 DGEDHN C=CCN[C@H](CNC(=O)CCc1cccs1)c1ccccc1 ZINC001713703399 1202678892 /nfs/dbraw/zinc/67/88/92/1202678892.db2.gz BZFRBBYRMKHGKE-QGZVFWFLSA-N 0 3 314.454 3.314 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC001713703011 1202678990 /nfs/dbraw/zinc/67/89/90/1202678990.db2.gz UJRKAWNARMNKJT-MJGOQNOKSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001713716434 1202680710 /nfs/dbraw/zinc/68/07/10/1202680710.db2.gz PLLMCGYLVWYSPK-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCCC(F)(F)F)C1 ZINC001713720378 1202681435 /nfs/dbraw/zinc/68/14/35/1202681435.db2.gz UZUKSTFNMGWOBP-AWEZNQCLSA-N 0 3 318.383 3.055 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2cc(F)cc(F)c2)C1 ZINC001713747696 1202685718 /nfs/dbraw/zinc/68/57/18/1202685718.db2.gz XVBHRMMRSQTCAC-AWEZNQCLSA-N 0 3 322.399 3.211 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001713784719 1202690306 /nfs/dbraw/zinc/69/03/06/1202690306.db2.gz WOUYSCUSDMJHPL-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccncc2F)C1 ZINC001713796369 1202691855 /nfs/dbraw/zinc/69/18/55/1202691855.db2.gz MLLCBBFITOPAJA-HNNXBMFYSA-N 0 3 321.440 3.385 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001713849489 1202695621 /nfs/dbraw/zinc/69/56/21/1202695621.db2.gz HNEPZGLEZBMGRW-GJZGRUSLSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2c(C)noc2C)CC1 ZINC001713853885 1202695939 /nfs/dbraw/zinc/69/59/39/1202695939.db2.gz LLQQACLKUGUGIU-UHFFFAOYSA-N 0 3 319.449 3.184 20 30 DGEDHN O=C(CC1CCCC1)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001713859285 1202696552 /nfs/dbraw/zinc/69/65/52/1202696552.db2.gz BWVVJZSYMUMQLZ-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001713911036 1202701412 /nfs/dbraw/zinc/70/14/12/1202701412.db2.gz YRNKIQLYSZZTHD-MELADBBJSA-N 0 3 321.852 3.312 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001713910583 1202701443 /nfs/dbraw/zinc/70/14/43/1202701443.db2.gz JLTCAFGIJTZSDR-ZJPYXAASSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCOC ZINC001713912676 1202701539 /nfs/dbraw/zinc/70/15/39/1202701539.db2.gz GPYJGEIXYREIMU-TVFCKZIOSA-N 0 3 322.493 3.079 20 30 DGEDHN CC#CCCCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001713914127 1202701951 /nfs/dbraw/zinc/70/19/51/1202701951.db2.gz NYVDTRMUIIGLEO-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001713936001 1202703701 /nfs/dbraw/zinc/70/37/01/1202703701.db2.gz LUXXVEBZGLRWAU-SZMVWBNQSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001713958496 1202706313 /nfs/dbraw/zinc/70/63/13/1202706313.db2.gz FOQANXHTSHADSW-BXWFABGCSA-N 0 3 318.436 3.473 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001713964280 1202708654 /nfs/dbraw/zinc/70/86/54/1202708654.db2.gz NARWESDSLMDDMR-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001713991633 1202718318 /nfs/dbraw/zinc/71/83/18/1202718318.db2.gz KGHXJDCVWPMAKZ-HNAYVOBHSA-N 0 3 321.424 3.032 20 30 DGEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001713991532 1202718524 /nfs/dbraw/zinc/71/85/24/1202718524.db2.gz KGHXJDCVWPMAKZ-DNVCBOLYSA-N 0 3 321.424 3.032 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001714017764 1202729914 /nfs/dbraw/zinc/72/99/14/1202729914.db2.gz FHDISULMXPTNBP-HUUCEWRRSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001714042799 1202746096 /nfs/dbraw/zinc/74/60/96/1202746096.db2.gz YUMSBRLISKWLKI-ZIAGYGMSSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001714042176 1202746274 /nfs/dbraw/zinc/74/62/74/1202746274.db2.gz ATRKTHJKUKWXNS-OAHLLOKOSA-N 0 3 318.486 3.433 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001714075266 1202763236 /nfs/dbraw/zinc/76/32/36/1202763236.db2.gz LEIHWAAYIMZABO-ZDUSSCGKSA-N 0 3 319.474 3.206 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](CC)NCc1ccccc1F ZINC001714098248 1202773733 /nfs/dbraw/zinc/77/37/33/1202773733.db2.gz HHXKJTCTCYJOHG-INIZCTEOSA-N 0 3 304.409 3.004 20 30 DGEDHN O=C(CC1CCC1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001714124126 1202791086 /nfs/dbraw/zinc/79/10/86/1202791086.db2.gz MRDSHIZRJREEPD-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC=C ZINC001714143710 1202798890 /nfs/dbraw/zinc/79/88/90/1202798890.db2.gz GEJZTBXLNPUOEJ-DLBZAZTESA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(CC=C)CC=C ZINC001714143523 1202799064 /nfs/dbraw/zinc/79/90/64/1202799064.db2.gz DANHTPRCUXDQQI-OALUTQOASA-N 0 3 314.473 3.234 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)c1ccco1)C1CC1 ZINC001714171874 1202815053 /nfs/dbraw/zinc/81/50/53/1202815053.db2.gz KYSCWPXUGVNEOT-BLLLJJGKSA-N 0 3 310.825 3.010 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001714215823 1202835470 /nfs/dbraw/zinc/83/54/70/1202835470.db2.gz XFCHOJQFCWRHLY-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC001714233450 1202841889 /nfs/dbraw/zinc/84/18/89/1202841889.db2.gz VLZDMIIBEVUOPT-KGLIPLIRSA-N 0 3 306.837 3.155 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cnc(C)s2)CCCC1 ZINC001714312399 1202878847 /nfs/dbraw/zinc/87/88/47/1202878847.db2.gz VQEJBYZJMPREIJ-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001714502464 1202966320 /nfs/dbraw/zinc/96/63/20/1202966320.db2.gz PRNIXPUTYXYNFU-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccccc2OC)CCCC1 ZINC001714509915 1202971249 /nfs/dbraw/zinc/97/12/49/1202971249.db2.gz RMEIIZDUIITCEF-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](C)n1cccc1 ZINC001714510727 1202973178 /nfs/dbraw/zinc/97/31/78/1202973178.db2.gz AESIIWJZYDRRHV-HZPDHXFCSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cc[nH]c1C ZINC001714512823 1202973718 /nfs/dbraw/zinc/97/37/18/1202973718.db2.gz PQQOBPJOVQCURR-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](CC)C(C)(C)C)CC2 ZINC001714523855 1202977564 /nfs/dbraw/zinc/97/75/64/1202977564.db2.gz RSGJPZRNVBIOQD-QGZVFWFLSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1cccc(Cl)c1F ZINC001714561446 1203005525 /nfs/dbraw/zinc/00/55/25/1203005525.db2.gz DXVKVIKZOHJXKO-LBPRGKRZSA-N 0 3 312.816 3.382 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)[C@@H](C)c1ccc(F)cc1 ZINC001714584167 1203024511 /nfs/dbraw/zinc/02/45/11/1203024511.db2.gz ONPGJUPKRSETPO-HNNXBMFYSA-N 0 3 318.436 3.374 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2cccc(C)c2s1 ZINC001714585155 1203024927 /nfs/dbraw/zinc/02/49/27/1203024927.db2.gz HOJQHDXDPMPITB-UHFFFAOYSA-N 0 3 302.443 3.447 20 30 DGEDHN CCN(CCNC(=O)CC(C)=C(C)C)Cc1cccc(C#N)c1 ZINC001714591565 1203031478 /nfs/dbraw/zinc/03/14/78/1203031478.db2.gz QOLPGSIXDGTVRR-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc2ncccc2c1 ZINC001714608698 1203046641 /nfs/dbraw/zinc/04/66/41/1203046641.db2.gz ZSSRCCXYHVGLLV-GOSISDBHSA-N 0 3 323.440 3.282 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001714645046 1203071346 /nfs/dbraw/zinc/07/13/46/1203071346.db2.gz QFNZQSPFCFRNEJ-OAHLLOKOSA-N 0 3 320.864 3.490 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN[C@@H](C)c2ccccc2F)cc1 ZINC001714740563 1203113146 /nfs/dbraw/zinc/11/31/46/1203113146.db2.gz DFLDYBXVVQVXBY-HNNXBMFYSA-N 0 3 324.399 3.230 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001714744068 1203114351 /nfs/dbraw/zinc/11/43/51/1203114351.db2.gz BHMBUUQSXZXAGD-DYVFJYSZSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CC[C@H](C(=O)N(C)CCNC/C=C\Cl)c1ccccc1 ZINC001714804634 1203131896 /nfs/dbraw/zinc/13/18/96/1203131896.db2.gz HXTMBQRBZHGRBV-UBAGTECSSA-N 0 3 306.837 3.147 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(C(F)F)CC1)c1ccccc1 ZINC001714838012 1203147095 /nfs/dbraw/zinc/14/70/95/1203147095.db2.gz XGHNOWPHQQOTRX-CQSZACIVSA-N 0 3 308.372 3.055 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001714841038 1203147667 /nfs/dbraw/zinc/14/76/67/1203147667.db2.gz TYPGUMLJZOXPPD-HOTGVXAUSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC001714849129 1203151179 /nfs/dbraw/zinc/15/11/79/1203151179.db2.gz PIQNKYIAQWYRAQ-HXUWFJFHSA-N 0 3 320.436 3.387 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001714889480 1203180684 /nfs/dbraw/zinc/18/06/84/1203180684.db2.gz GGEHFKKDFIQINV-IBGZPJMESA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)c1ccccc1 ZINC001714994046 1203229764 /nfs/dbraw/zinc/22/97/64/1203229764.db2.gz AIGCJIXOUMDJCN-FHWLQOOXSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2nc(C)sc2C)[C@H](C)C1 ZINC001714996347 1203230024 /nfs/dbraw/zinc/23/00/24/1203230024.db2.gz FSOPGXJRTZGVSX-DOMZBBRYSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1ccn2C ZINC001714994722 1203230177 /nfs/dbraw/zinc/23/01/77/1203230177.db2.gz GQQAEDUNWWASOT-HOTGVXAUSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)CC(F)(F)F)C1 ZINC001715027543 1203243387 /nfs/dbraw/zinc/24/33/87/1203243387.db2.gz OSBOCQNYHBFUBY-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001715033016 1203246214 /nfs/dbraw/zinc/24/62/14/1203246214.db2.gz URKANFXGADAOTB-HKUYNNGSSA-N 0 3 314.473 3.282 20 30 DGEDHN CC[C@@H](CNC(=O)C=C(C)C)NCC#Cc1cccc(Cl)c1 ZINC001715048278 1203254384 /nfs/dbraw/zinc/25/43/84/1203254384.db2.gz IAAFOFUOJPVPGH-KRWDZBQOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2CCC(OC)CC2)C1 ZINC001715049730 1203254810 /nfs/dbraw/zinc/25/48/10/1203254810.db2.gz WQDSAIXKQCCHCN-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)C)NCC#Cc1ccccc1Cl ZINC001715083125 1203266896 /nfs/dbraw/zinc/26/68/96/1203266896.db2.gz IWGZVXMONZWDST-OAHLLOKOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc2occc2[nH]1)C1CC1 ZINC001715114062 1203276998 /nfs/dbraw/zinc/27/69/98/1203276998.db2.gz YPVNPXJTAUJZAG-MRXNPFEDSA-N 0 3 321.808 3.002 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC001715121437 1203278853 /nfs/dbraw/zinc/27/88/53/1203278853.db2.gz WNAUZSOBYFEIKW-GUYCJALGSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001715150579 1203285211 /nfs/dbraw/zinc/28/52/11/1203285211.db2.gz ZRNCWMFNURDPTN-PVAVHDDUSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001715341338 1203319599 /nfs/dbraw/zinc/31/95/99/1203319599.db2.gz RTAXNXYMJRKJSW-LBPRGKRZSA-N 0 3 309.479 3.053 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001715359257 1203324095 /nfs/dbraw/zinc/32/40/95/1203324095.db2.gz KQVCBRMDPUOKTJ-KSSFIOAISA-N 0 3 306.425 3.365 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001715391900 1203332795 /nfs/dbraw/zinc/33/27/95/1203332795.db2.gz VTSJABGBWJQZEB-BRRGFWCPSA-N 0 3 319.474 3.206 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cscn2)[C@H](C)C1 ZINC001715421687 1203339001 /nfs/dbraw/zinc/33/90/01/1203339001.db2.gz ZTJQWQMTUHBHNP-HIFRSBDPSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCc1ccccc1CC ZINC001715529387 1203362679 /nfs/dbraw/zinc/36/26/79/1203362679.db2.gz JICWFYDQCKAEBV-UHFFFAOYSA-N 0 3 316.489 3.394 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001715533604 1203364605 /nfs/dbraw/zinc/36/46/05/1203364605.db2.gz RWFZSLLJILTEPK-JKSUJKDBSA-N 0 3 306.837 3.020 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)c1ccc(CC)cc1 ZINC001715534342 1203364822 /nfs/dbraw/zinc/36/48/22/1203364822.db2.gz KAZWTWPIKHEENE-UHFFFAOYSA-N 0 3 302.462 3.103 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCNCc1ccc(F)cc1Cl ZINC001715638986 1203376663 /nfs/dbraw/zinc/37/66/63/1203376663.db2.gz IASLXXCSXAQESY-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001715653571 1203377708 /nfs/dbraw/zinc/37/77/08/1203377708.db2.gz XLZUKTURVSPSBV-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001715697714 1203381839 /nfs/dbraw/zinc/38/18/39/1203381839.db2.gz JDRALECKOVFLRU-RBSFLKMASA-N 0 3 300.874 3.440 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1c(C)nsc1C)C(C)C ZINC001715735871 1203386348 /nfs/dbraw/zinc/38/63/48/1203386348.db2.gz UJVKEEHDYSRWFT-OAHLLOKOSA-N 0 3 323.506 3.203 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)CCCc1ccccc1Cl ZINC001715837655 1203396346 /nfs/dbraw/zinc/39/63/46/1203396346.db2.gz BLXVESAMELHRGU-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C[C@H]2CC=CCC2)c1 ZINC001715852636 1203397854 /nfs/dbraw/zinc/39/78/54/1203397854.db2.gz PEGGOMZGZCPRKW-BDUNBXCCSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1-n1cccc1 ZINC001715940125 1203407779 /nfs/dbraw/zinc/40/77/79/1203407779.db2.gz HTXPGKYXCVVMMX-UHFFFAOYSA-N 0 3 311.429 3.057 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H](C)CNCc1ccccn1)c1ccccc1 ZINC001715963337 1203412212 /nfs/dbraw/zinc/41/22/12/1203412212.db2.gz WIQWYTFHOKOVIF-VQIMIIECSA-N 0 3 323.440 3.036 20 30 DGEDHN CCCC[C@H](CC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001715966565 1203412988 /nfs/dbraw/zinc/41/29/88/1203412988.db2.gz LSZBBIIDEJHBJN-HKUYNNGSSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001715987122 1203416685 /nfs/dbraw/zinc/41/66/85/1203416685.db2.gz BDNJZTZAMJMIQX-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001716019072 1203424325 /nfs/dbraw/zinc/42/43/25/1203424325.db2.gz YCHYRJADZPIQNW-QWHCGFSZSA-N 0 3 310.388 3.429 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001716034873 1203430241 /nfs/dbraw/zinc/43/02/41/1203430241.db2.gz MTWMBYIPIVEZPO-KBHCHJSJSA-N 0 3 311.429 3.017 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716038700 1203431765 /nfs/dbraw/zinc/43/17/65/1203431765.db2.gz OCEYDGGGNQVVOQ-HOTGVXAUSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc2cc[nH]c2c1 ZINC001716042362 1203433949 /nfs/dbraw/zinc/43/39/49/1203433949.db2.gz XFSAKIWWBYFIMQ-HNNXBMFYSA-N 0 3 313.445 3.461 20 30 DGEDHN CCC[C@@H](C)C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001716127067 1203441520 /nfs/dbraw/zinc/44/15/20/1203441520.db2.gz DWTKKICELTZOHS-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nsc2ccccc21 ZINC001716142186 1203443032 /nfs/dbraw/zinc/44/30/32/1203443032.db2.gz QJCFFJWZJYZHCZ-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2ccncc2s1 ZINC001716145808 1203443333 /nfs/dbraw/zinc/44/33/33/1203443333.db2.gz MHWXXVFXGNJETG-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN CCC[C@H](C)C(=O)N(CC)CCNCc1ccc(F)c(C#N)c1 ZINC001716210460 1203449402 /nfs/dbraw/zinc/44/94/02/1203449402.db2.gz RFQGDMQMVMBHKN-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1cc(F)cc(F)c1 ZINC001716220727 1203450876 /nfs/dbraw/zinc/45/08/76/1203450876.db2.gz MYDLVFQYRSOKRL-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN CCc1cccc(CN(C)C[C@H](C)NC(=O)C#CC(C)(C)C)c1 ZINC001716477289 1203483823 /nfs/dbraw/zinc/48/38/23/1203483823.db2.gz FAIBBVIFOLWHHE-INIZCTEOSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(OC)c(C)c1 ZINC001716480741 1203485573 /nfs/dbraw/zinc/48/55/73/1203485573.db2.gz ACURNANWQIAXCS-INIZCTEOSA-N 0 3 318.461 3.296 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1cc(C)sc1C ZINC001716491546 1203489251 /nfs/dbraw/zinc/48/92/51/1203489251.db2.gz RMVJLGNPIMSCRJ-CQSZACIVSA-N 0 3 320.502 3.495 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001716501880 1203493569 /nfs/dbraw/zinc/49/35/69/1203493569.db2.gz JJORLSVXDVHHLE-GJZGRUSLSA-N 0 3 304.434 3.100 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001716503478 1203494872 /nfs/dbraw/zinc/49/48/72/1203494872.db2.gz QTMFGNCXSHYEFE-DGTBMVLOSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001716509960 1203497321 /nfs/dbraw/zinc/49/73/21/1203497321.db2.gz ICRCAPOSFPVAQX-HIFRSBDPSA-N 0 3 322.836 3.023 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@]1(C)CCC[C@H]1CC ZINC001716549029 1203501313 /nfs/dbraw/zinc/50/13/13/1203501313.db2.gz MDUWYZKCDSYAFF-ZBFHGGJFSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc2ccccc2c1 ZINC001716571309 1203503588 /nfs/dbraw/zinc/50/35/88/1203503588.db2.gz WRVMVRFWVPTERR-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2cnccc2c1 ZINC001716578110 1203504020 /nfs/dbraw/zinc/50/40/20/1203504020.db2.gz WSEHMMXSCAQGCG-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001716652482 1203513832 /nfs/dbraw/zinc/51/38/32/1203513832.db2.gz OCKMTLMHNASDCC-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001716655405 1203514446 /nfs/dbraw/zinc/51/44/46/1203514446.db2.gz UVHHZLSMGKJVPE-BLLLJJGKSA-N 0 3 304.434 3.364 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001716657017 1203515101 /nfs/dbraw/zinc/51/51/01/1203515101.db2.gz CAKNVABCYKNMHQ-INIZCTEOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001716667209 1203519726 /nfs/dbraw/zinc/51/97/26/1203519726.db2.gz WIXYXGJPTBHOHQ-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001716681216 1203524176 /nfs/dbraw/zinc/52/41/76/1203524176.db2.gz OVZLBLSTWQWVTR-UHFFFAOYSA-N 0 3 316.420 3.066 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001716735326 1203534572 /nfs/dbraw/zinc/53/45/72/1203534572.db2.gz NSWRNKFJPXRBIG-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(C)C1CN(CC2CCCCC2)C1)OCC ZINC001716742464 1203535483 /nfs/dbraw/zinc/53/54/83/1203535483.db2.gz LVUWPBBIKPZHNC-GOSISDBHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001716848475 1203554879 /nfs/dbraw/zinc/55/48/79/1203554879.db2.gz DRBQTOVCNAMXPG-HNAYVOBHSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc(C)c2F)C1 ZINC001716894447 1203564419 /nfs/dbraw/zinc/56/44/19/1203564419.db2.gz QHKYGKOOYMCKNC-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001716898143 1203565768 /nfs/dbraw/zinc/56/57/68/1203565768.db2.gz PKEGIVKJVJMZSK-HNNXBMFYSA-N 0 3 320.399 3.369 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC(CC)CC)C2)CC1 ZINC001716953411 1203569068 /nfs/dbraw/zinc/56/90/68/1203569068.db2.gz ZDVYUYBAJCEMRD-LJQANCHMSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H](C)CCC)C2)CC1 ZINC001716953409 1203569195 /nfs/dbraw/zinc/56/91/95/1203569195.db2.gz ZCWFHGFOJXILIN-PKOBYXMFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1CC ZINC001716954131 1203569526 /nfs/dbraw/zinc/56/95/26/1203569526.db2.gz OHJSTVUYZXJSRM-SFHVURJKSA-N 0 3 312.457 3.372 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCc1ccccc1 ZINC001717035965 1203579975 /nfs/dbraw/zinc/57/99/75/1203579975.db2.gz OZFCRRQDQMFKTA-PMACEKPBSA-N 0 3 324.468 3.098 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(C1CC1)C1CC1 ZINC001717115598 1203586444 /nfs/dbraw/zinc/58/64/44/1203586444.db2.gz DAWZQFVTXSWJCI-UHFFFAOYSA-N 0 3 324.468 3.194 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001717119869 1203587618 /nfs/dbraw/zinc/58/76/18/1203587618.db2.gz TWZFKGGHKAIVOG-WKILWMFISA-N 0 3 316.445 3.237 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CCC(C)C)cccc2C1 ZINC001717142243 1203589901 /nfs/dbraw/zinc/58/99/01/1203589901.db2.gz FKXMDNAPFMFGQG-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001717277668 1203611873 /nfs/dbraw/zinc/61/18/73/1203611873.db2.gz YEAUUIBUVRNULI-GXTWGEPZSA-N 0 3 324.877 3.142 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2sccc2Cl)[C@@H](C)C1 ZINC001717277669 1203611943 /nfs/dbraw/zinc/61/19/43/1203611943.db2.gz YEAUUIBUVRNULI-JSGCOSHPSA-N 0 3 324.877 3.142 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001717374171 1203629402 /nfs/dbraw/zinc/62/94/02/1203629402.db2.gz NWXAJLZVBDGTAB-NZSAHSFTSA-N 0 3 312.457 3.207 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001717396582 1203635207 /nfs/dbraw/zinc/63/52/07/1203635207.db2.gz HMRITDCKRDMFOZ-LSDHHAIUSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001717424912 1203641614 /nfs/dbraw/zinc/64/16/14/1203641614.db2.gz LMRHIOAISROXKB-OLZOCXBDSA-N 0 3 310.388 3.304 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2cc(C)ccc2F)C1 ZINC001717434977 1203643435 /nfs/dbraw/zinc/64/34/35/1203643435.db2.gz AHNYPSLZKOMDBZ-HUUCEWRRSA-N 0 3 318.436 3.473 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(OC)c1 ZINC001717482356 1203658622 /nfs/dbraw/zinc/65/86/22/1203658622.db2.gz AYWZCAYSAGKBSR-OAHLLOKOSA-N 0 3 318.461 3.152 20 30 DGEDHN C[C@H](CNC(=O)CC#Cc1ccccc1)N(C)Cc1ccccc1 ZINC001717500927 1203667878 /nfs/dbraw/zinc/66/78/78/1203667878.db2.gz ZWIAEMAGSBZMNC-GOSISDBHSA-N 0 3 320.436 3.065 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)/C=C\c2ccco2)CCCCC1 ZINC001717520593 1203670431 /nfs/dbraw/zinc/67/04/31/1203670431.db2.gz UFDLZAQNZXHZOE-FPLPWBNLSA-N 0 3 322.836 3.454 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1CCCCCN1Cc1ccsc1 ZINC001717536095 1203675687 /nfs/dbraw/zinc/67/56/87/1203675687.db2.gz CXNHLCUFLHDODR-KRWDZBQOSA-N 0 3 318.486 3.268 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001717550975 1203680154 /nfs/dbraw/zinc/68/01/54/1203680154.db2.gz JXMTXEYFEZKYSD-IWAYRVGRSA-N 0 3 312.457 3.188 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001717552542 1203680390 /nfs/dbraw/zinc/68/03/90/1203680390.db2.gz JWUPIVYPFXJFCA-MUYFXNHWSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CN(Cc3ccccc3C)C2)C1 ZINC001717556926 1203681434 /nfs/dbraw/zinc/68/14/34/1203681434.db2.gz OLQMIFHGJATHBN-MRXNPFEDSA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CC/C=C\c2ccccc2)C1 ZINC001717557686 1203681656 /nfs/dbraw/zinc/68/16/56/1203681656.db2.gz YDAFGSJLNKFAEX-CGICMKJESA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C2CN(CCCF)C2)CCCCC1 ZINC001717564172 1203682927 /nfs/dbraw/zinc/68/29/27/1203682927.db2.gz BSPFCLZKMJKYEJ-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](NCc1nc(C)cs1)C(C)C ZINC001717720340 1203704337 /nfs/dbraw/zinc/70/43/37/1203704337.db2.gz GVPSNKZNDHJXOP-CQSZACIVSA-N 0 3 323.506 3.284 20 30 DGEDHN CC/C(C)=C\C(=O)N(C)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001717729656 1203706198 /nfs/dbraw/zinc/70/61/98/1203706198.db2.gz GQMAAJKEKXJJMH-HQSFBDMMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001717744526 1203708449 /nfs/dbraw/zinc/70/84/49/1203708449.db2.gz CYOURMVBHBPEJF-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H]1C ZINC001717854800 1203722459 /nfs/dbraw/zinc/72/24/59/1203722459.db2.gz YVZPURVCILVSRZ-OLZOCXBDSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2ncc(C)s2)C1 ZINC001717872016 1203726050 /nfs/dbraw/zinc/72/60/50/1203726050.db2.gz FQMATNBGIWBYOG-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(COC)cc1)C(C)C ZINC001717953065 1203734637 /nfs/dbraw/zinc/73/46/37/1203734637.db2.gz WGCMTQQRTOMMSO-UHFFFAOYSA-N 0 3 318.461 3.192 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1c(C)noc1C)C(C)(C)C ZINC001717965017 1203737176 /nfs/dbraw/zinc/73/71/76/1203737176.db2.gz HYBMXUWLBPMGSH-OAHLLOKOSA-N 0 3 321.465 3.124 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC001718003034 1203742749 /nfs/dbraw/zinc/74/27/49/1203742749.db2.gz BKZHVOINCKNJKB-DLBZAZTESA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC001718003036 1203743018 /nfs/dbraw/zinc/74/30/18/1203743018.db2.gz BKZHVOINCKNJKB-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@]2(C)CCc3ccccc3C2)CC1 ZINC001718035691 1203745422 /nfs/dbraw/zinc/74/54/22/1203745422.db2.gz LPWLIONBNLUFDN-OAQYLSRUSA-N 0 3 324.468 3.116 20 30 DGEDHN CCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1ccccc1C#N ZINC001722925295 1203952107 /nfs/dbraw/zinc/95/21/07/1203952107.db2.gz BYWBSUFUQQJPGY-ZWKOTPCHSA-N 0 3 313.445 3.123 20 30 DGEDHN O=C(CCCC1CC1)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001723321603 1203963176 /nfs/dbraw/zinc/96/31/76/1203963176.db2.gz AIXFDKOHZWDWLO-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001723454176 1203974261 /nfs/dbraw/zinc/97/42/61/1203974261.db2.gz WKVCRCXNOCBIBB-KRWDZBQOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001723481243 1203977660 /nfs/dbraw/zinc/97/76/60/1203977660.db2.gz GIRDZGXYQWAOBI-WMZOPIPTSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1cc(F)ccc1F ZINC001723483873 1203977990 /nfs/dbraw/zinc/97/79/90/1203977990.db2.gz KOFGGTDCQTUIQW-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCN1CCC)c1ccccc1 ZINC001723483006 1203978322 /nfs/dbraw/zinc/97/83/22/1203978322.db2.gz NKPKERNTKPBXNP-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001723554044 1203982289 /nfs/dbraw/zinc/98/22/89/1203982289.db2.gz LWAQMSXUPADOQQ-SFHVURJKSA-N 0 3 300.446 3.336 20 30 DGEDHN CC[C@@H](F)CN1CC[C@@]2(C1)CCCCN(C(=O)C#CC(C)C)C2 ZINC001724126314 1204006232 /nfs/dbraw/zinc/00/62/32/1204006232.db2.gz QVXBDXXCSQAKQN-IEBWSBKVSA-N 0 3 322.468 3.099 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](CC)C(C)C)C2 ZINC001724125105 1204006506 /nfs/dbraw/zinc/00/65/06/1204006506.db2.gz ASPHLTXUBSJWGQ-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001724141290 1204007987 /nfs/dbraw/zinc/00/79/87/1204007987.db2.gz QVPLCUMWUPVKEZ-AWEZNQCLSA-N 0 3 306.372 3.266 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001724173846 1204011262 /nfs/dbraw/zinc/01/12/62/1204011262.db2.gz NWQVZRLMVRVPAV-APWZRJJASA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCCC(=O)N1CC[C@@](C)(CNCc2nc(C)sc2C)C1 ZINC001724201987 1204014185 /nfs/dbraw/zinc/01/41/85/1204014185.db2.gz YMZQWCKFEQQFCH-KRWDZBQOSA-N 0 3 321.490 3.054 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001724329119 1204022239 /nfs/dbraw/zinc/02/22/39/1204022239.db2.gz ROKFLOONUSVLJO-FQEVSTJZSA-N 0 3 323.440 3.023 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001724334164 1204023008 /nfs/dbraw/zinc/02/30/08/1204023008.db2.gz SMYISRGEUCZQHI-YOEHRIQHSA-N 0 3 306.475 3.256 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(OCC)cc2)C1 ZINC001724341974 1204023678 /nfs/dbraw/zinc/02/36/78/1204023678.db2.gz BXUVAHJZQFQKGW-IBGZPJMESA-N 0 3 316.445 3.103 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001724381252 1204025207 /nfs/dbraw/zinc/02/52/07/1204025207.db2.gz UDWZIEWICJSQDW-CYBMUJFWSA-N 0 3 320.399 3.022 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2CC(C)(C)C2)cc1 ZINC001724745832 1204042886 /nfs/dbraw/zinc/04/28/86/1204042886.db2.gz SHJLOFINIXMHQJ-OAHLLOKOSA-N 0 3 312.457 3.413 20 30 DGEDHN CC1(CC(=O)N2CCCC[C@@H]2CNCC#Cc2ccccc2)CC1 ZINC001724779128 1204045266 /nfs/dbraw/zinc/04/52/66/1204045266.db2.gz DLLPCDKOVNNYTL-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001724837707 1204051635 /nfs/dbraw/zinc/05/16/35/1204051635.db2.gz NJNWFYXTPNQLFX-DLBZAZTESA-N 0 3 310.457 3.474 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001724859885 1204060284 /nfs/dbraw/zinc/06/02/84/1204060284.db2.gz KFRSXUAYWVHTPZ-IBGZPJMESA-N 0 3 304.478 3.317 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)C#CC(C)C ZINC001725012887 1204079487 /nfs/dbraw/zinc/07/94/87/1204079487.db2.gz KXUCVDMYLVJVOP-HXUWFJFHSA-N 0 3 324.468 3.328 20 30 DGEDHN CC1(C)C[C@H]1C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001725027473 1204081729 /nfs/dbraw/zinc/08/17/29/1204081729.db2.gz KJJRZJFFROZRNK-OALUTQOASA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(CC=C)CC=C ZINC001725032569 1204081879 /nfs/dbraw/zinc/08/18/79/1204081879.db2.gz OIFXNUACEBYOBN-RTBURBONSA-N 0 3 310.441 3.313 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cc2ccccc2o1 ZINC001725043074 1204084900 /nfs/dbraw/zinc/08/49/00/1204084900.db2.gz SILSCLAELHFFKH-INIZCTEOSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@@H]1CN(C)CC=C)c1ccccc1 ZINC001725056393 1204087085 /nfs/dbraw/zinc/08/70/85/1204087085.db2.gz BIPNRXZJKXNGBQ-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(C)CC[NH2+]C1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001725121028 1204098663 /nfs/dbraw/zinc/09/86/63/1204098663.db2.gz LLWDXNFRAMTMGN-UHFFFAOYSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ccns2)CCCC1 ZINC001725124328 1204099260 /nfs/dbraw/zinc/09/92/60/1204099260.db2.gz ZHVSRPUBNLDBNP-ZIAGYGMSSA-N 0 3 321.490 3.262 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C(C)(C)C1CC1 ZINC001725125810 1204099317 /nfs/dbraw/zinc/09/93/17/1204099317.db2.gz BLIODYUVECTIAR-RYUDHWBXSA-N 0 3 319.474 3.039 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1ccc(OC)c(Cl)c1 ZINC001725155492 1204105130 /nfs/dbraw/zinc/10/51/30/1204105130.db2.gz LZYXZEKQHCRABM-ZDUSSCGKSA-N 0 3 324.852 3.251 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(CC)cc1 ZINC001725181940 1204113487 /nfs/dbraw/zinc/11/34/87/1204113487.db2.gz YBXNJAPHOZKMNQ-QGZVFWFLSA-N 0 3 314.473 3.379 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)Cc2ccc(C)c(F)c2)C1 ZINC001725180489 1204113551 /nfs/dbraw/zinc/11/35/51/1204113551.db2.gz OXMKEAURLBPBJO-OAHLLOKOSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001725261336 1204129272 /nfs/dbraw/zinc/12/92/72/1204129272.db2.gz WXZYZXYUJCESAR-ZIAGYGMSSA-N 0 3 320.864 3.456 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(CC)CC)C[C@@H]2C1 ZINC001725327085 1204137065 /nfs/dbraw/zinc/13/70/65/1204137065.db2.gz APKBBKQDEPRBAX-ARFHVFGLSA-N 0 3 312.885 3.392 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C[C@@H](CC)C(C)C)C[C@]2(C)C1 ZINC001725347663 1204139692 /nfs/dbraw/zinc/13/96/92/1204139692.db2.gz ZXILVMLIJQVBOS-RLLQIKCJSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1ccc(Cl)nc1)C1CC1 ZINC001725455039 1204152553 /nfs/dbraw/zinc/15/25/53/1204152553.db2.gz SLLHGLLEFLAUSG-OAHLLOKOSA-N 0 3 321.852 3.028 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001725595528 1204174909 /nfs/dbraw/zinc/17/49/09/1204174909.db2.gz PFKGSVVQGDAFFD-WBVHZDCISA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC001725626946 1204184380 /nfs/dbraw/zinc/18/43/80/1204184380.db2.gz KSYFKQPPAPWOBM-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1oc(C(C)C)nc1C)C(C)C ZINC001725733737 1204204981 /nfs/dbraw/zinc/20/49/81/1204204981.db2.gz TWSBJZNVDSYJKT-UHFFFAOYSA-N 0 3 321.465 3.465 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C(C)C ZINC001725733255 1204205314 /nfs/dbraw/zinc/20/53/14/1204205314.db2.gz PDPANDMCBNOJIF-RBUKOAKNSA-N 0 3 314.473 3.453 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(F)cc1C)C(C)C ZINC001725734211 1204205710 /nfs/dbraw/zinc/20/57/10/1204205710.db2.gz YAJIAXKHDIWJMD-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(C)(C)C=C)CC[C@@H]1C(F)(F)F ZINC001725779775 1204220197 /nfs/dbraw/zinc/22/01/97/1204220197.db2.gz FUTNXYJOBLNHJW-STQMWFEESA-N 0 3 318.383 3.144 20 30 DGEDHN CCCC(=O)NCCCN(CC)CC#Cc1ccc(Cl)cc1 ZINC001731300583 1204367105 /nfs/dbraw/zinc/36/71/05/1204367105.db2.gz YNJMXUWSDPIAKV-UHFFFAOYSA-N 0 3 320.864 3.320 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc2ccc(C)cc2[nH]1)C1CC1 ZINC001731335496 1204376165 /nfs/dbraw/zinc/37/61/65/1204376165.db2.gz IYFSVPNGUHSUAX-UHFFFAOYSA-N 0 3 323.440 3.084 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC001731351936 1204382498 /nfs/dbraw/zinc/38/24/98/1204382498.db2.gz CBYBZGXFYYOAAM-GOSISDBHSA-N 0 3 323.440 3.282 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001731469399 1204423197 /nfs/dbraw/zinc/42/31/97/1204423197.db2.gz YYDUSDBFRRVSEW-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CNCc2nc(C)c(C)s2)C1 ZINC001731515694 1204440308 /nfs/dbraw/zinc/44/03/08/1204440308.db2.gz XCKNFHXFVKDAPU-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001731525013 1204442129 /nfs/dbraw/zinc/44/21/29/1204442129.db2.gz QXYLDDQSDYVRKZ-FYQHACEVSA-N 0 3 319.276 3.490 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CNCc2ncc(C)s2)C1 ZINC001731525574 1204442410 /nfs/dbraw/zinc/44/24/10/1204442410.db2.gz WQEZVICIJBNEDI-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#CC ZINC001731549788 1204456251 /nfs/dbraw/zinc/45/62/51/1204456251.db2.gz BSBWUOYIXJMBOD-QZTJIDSGSA-N 0 3 302.462 3.212 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2(C)CCCCC2)C1 ZINC001731558149 1204460488 /nfs/dbraw/zinc/46/04/88/1204460488.db2.gz JHRHUBRVGSEWAR-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnoc2C)C1 ZINC001731560448 1204461801 /nfs/dbraw/zinc/46/18/01/1204461801.db2.gz UNSFYPRJTANRMF-ZBFHGGJFSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001731710399 1204514609 /nfs/dbraw/zinc/51/46/09/1204514609.db2.gz LBFNYMLOFCXRRH-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001731781556 1204552779 /nfs/dbraw/zinc/55/27/79/1204552779.db2.gz YHFNVOFUEYOHMH-SFHVURJKSA-N 0 3 316.420 3.055 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc3ncccc3c2)C1 ZINC001731785576 1204557472 /nfs/dbraw/zinc/55/74/72/1204557472.db2.gz VGWDEUZGIVYFHN-UHFFFAOYSA-N 0 3 323.440 3.139 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](CC2CCCCC2)C(C)C)C1 ZINC001731853966 1204601844 /nfs/dbraw/zinc/60/18/44/1204601844.db2.gz BJURWCLVVQUZNY-MOPGFXCFSA-N 0 3 318.505 3.300 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1C2CC3CC(C2)CC1C3)C1CC1 ZINC001731876534 1204618325 /nfs/dbraw/zinc/61/83/25/1204618325.db2.gz MHJVTPPEAUTTCJ-UHFFFAOYSA-N 0 3 316.489 3.215 20 30 DGEDHN C=C(C)CCC(=O)NCCN(Cc1ccc(C)cc1)C1CC1 ZINC001731876757 1204618487 /nfs/dbraw/zinc/61/84/87/1204618487.db2.gz HLKRRLJCNONGER-UHFFFAOYSA-N 0 3 300.446 3.432 20 30 DGEDHN C=CCN(CCNC(=O)c1coc2cc(C)c(C)cc12)C1CC1 ZINC001731881066 1204620287 /nfs/dbraw/zinc/62/02/87/1204620287.db2.gz NXXZQJIMTNDLPP-UHFFFAOYSA-N 0 3 312.413 3.430 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1)C1CC1 ZINC001731879931 1204620535 /nfs/dbraw/zinc/62/05/35/1204620535.db2.gz CZRGPBRHALVJOB-MSOLQXFVSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCNCCN(C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001731979485 1204639533 /nfs/dbraw/zinc/63/95/33/1204639533.db2.gz KNDMLWHEKFICNR-UHFFFAOYSA-N 0 3 306.409 3.039 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)CCNC/C=C/Cl)c1ccccc1 ZINC001731986477 1204639985 /nfs/dbraw/zinc/63/99/85/1204639985.db2.gz QNPGPFVFHMRXOK-VSGCLNPGSA-N 0 3 306.837 3.147 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)c2ccco2)C1 ZINC001732078467 1204683289 /nfs/dbraw/zinc/68/32/89/1204683289.db2.gz SUXQRRVBEQXENV-HOTGVXAUSA-N 0 3 304.434 3.272 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@@H]2CCN(CCCF)C2)CC1 ZINC001732078459 1204683812 /nfs/dbraw/zinc/68/38/12/1204683812.db2.gz SOLVAPLSZFCZHY-QGZVFWFLSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001732132119 1204706360 /nfs/dbraw/zinc/70/63/60/1204706360.db2.gz GUYZMBANNRPTFL-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(Cl)c1 ZINC001732147325 1204713599 /nfs/dbraw/zinc/71/35/99/1204713599.db2.gz MEESCHZEHMKRFI-KBPBESRZSA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccsc2[nH]1 ZINC001732148846 1204714256 /nfs/dbraw/zinc/71/42/56/1204714256.db2.gz YZSGJKAHMGUQRY-KBPBESRZSA-N 0 3 315.442 3.094 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC(F)(F)F ZINC001732149857 1204714983 /nfs/dbraw/zinc/71/49/83/1204714983.db2.gz KMNQVXYXVBASSW-STQMWFEESA-N 0 3 318.383 3.216 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2cccc(F)c2F)C1 ZINC001732178420 1204733667 /nfs/dbraw/zinc/73/36/67/1204733667.db2.gz ZVJAIFOWVWXZRW-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1)OCC ZINC001732182104 1204735534 /nfs/dbraw/zinc/73/55/34/1204735534.db2.gz JWIOFJBCDPDULI-ROUUACIJSA-N 0 3 322.493 3.247 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)c(C)cn2)CCCC1 ZINC001732230644 1204761958 /nfs/dbraw/zinc/76/19/58/1204761958.db2.gz JMCSKGJBSGMXEZ-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc[nH]c2CCC)CCCC1 ZINC001732232673 1204762869 /nfs/dbraw/zinc/76/28/69/1204762869.db2.gz LNXATSUBZXBTCX-UHFFFAOYSA-N 0 3 323.868 3.352 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCCn2cccc2)CCCC1 ZINC001732236864 1204765825 /nfs/dbraw/zinc/76/58/25/1204765825.db2.gz GBJOSLIWNVKODJ-UHFFFAOYSA-N 0 3 323.868 3.039 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CCCF)CCCC[C@H]1C ZINC001732255482 1204772443 /nfs/dbraw/zinc/77/24/43/1204772443.db2.gz DYCDIBSRDBRCGB-DOMZBBRYSA-N 0 3 304.837 3.143 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001732271101 1204777421 /nfs/dbraw/zinc/77/74/21/1204777421.db2.gz HVEOKHBRJOCTCA-DZGCQCFKSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001732274922 1204777887 /nfs/dbraw/zinc/77/78/87/1204777887.db2.gz WXZMRAZNEUNUOV-OLZOCXBDSA-N 0 3 320.811 3.003 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC001732338706 1204797634 /nfs/dbraw/zinc/79/76/34/1204797634.db2.gz KFGCIPHNOBFOIG-KBPBESRZSA-N 0 3 322.399 3.171 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC001732338707 1204797888 /nfs/dbraw/zinc/79/78/88/1204797888.db2.gz KFGCIPHNOBFOIG-KGLIPLIRSA-N 0 3 322.399 3.171 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl)CCC1 ZINC001732363001 1204806064 /nfs/dbraw/zinc/80/60/64/1204806064.db2.gz SASVQMPRWZZJJP-YFBAIUBQSA-N 0 3 319.276 3.394 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl)CC1 ZINC001732363915 1204806853 /nfs/dbraw/zinc/80/68/53/1204806853.db2.gz WKZKTHHFLYNFFG-CWZJEYLYSA-N 0 3 319.276 3.394 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(F)cc2F)CCCC1 ZINC001732389883 1204815444 /nfs/dbraw/zinc/81/54/44/1204815444.db2.gz XTINTEPEVBYARP-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@@H](F)C2)CCCC1 ZINC001732392268 1204816487 /nfs/dbraw/zinc/81/64/87/1204816487.db2.gz IFYHCGHXZTZLDZ-ZIAGYGMSSA-N 0 3 316.848 3.286 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001732410042 1204826958 /nfs/dbraw/zinc/82/69/58/1204826958.db2.gz SSTACMOZOKPGSC-OAHLLOKOSA-N 0 3 318.848 3.094 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@H](C)C(C)(C)C ZINC001732426145 1204835044 /nfs/dbraw/zinc/83/50/44/1204835044.db2.gz LMIOEQHOBQYIKE-OLZOCXBDSA-N 0 3 321.490 3.238 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001732437259 1204841098 /nfs/dbraw/zinc/84/10/98/1204841098.db2.gz QBSKIHITBDMFGA-FZMZJTMJSA-N 0 3 307.265 3.344 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1sccc1Cl)C(C)C ZINC001732558187 1204895682 /nfs/dbraw/zinc/89/56/82/1204895682.db2.gz JLDKFGHTLHNMNB-NSHDSACASA-N 0 3 321.273 3.498 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001732591298 1204913251 /nfs/dbraw/zinc/91/32/51/1204913251.db2.gz JZGKLCACWXCIPY-LJQANCHMSA-N 0 3 320.452 3.361 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001732594848 1204916549 /nfs/dbraw/zinc/91/65/49/1204916549.db2.gz MXEBXDQEIZJCJY-MRXNPFEDSA-N 0 3 318.461 3.444 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc(Cl)ccc1Cl ZINC001732598593 1204918600 /nfs/dbraw/zinc/91/86/00/1204918600.db2.gz UWUGBLCOSPQAAX-UHFFFAOYSA-N 0 3 301.217 3.183 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1nccs1 ZINC001732630239 1204925666 /nfs/dbraw/zinc/92/56/66/1204925666.db2.gz YUSFINNGOONBFT-ZIAGYGMSSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1nccs1 ZINC001732630235 1204925881 /nfs/dbraw/zinc/92/58/81/1204925881.db2.gz YUSFINNGOONBFT-KGLIPLIRSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001732725460 1204934671 /nfs/dbraw/zinc/93/46/71/1204934671.db2.gz FPNDAPKDJPNFPU-BLLLJJGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(Cl)ccc1C ZINC001732736680 1204935468 /nfs/dbraw/zinc/93/54/68/1204935468.db2.gz AHHUVKORMVIEGD-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001732759612 1204939552 /nfs/dbraw/zinc/93/95/52/1204939552.db2.gz MMFMQVKSOOQEMI-KDOFPFPSSA-N 0 3 320.864 3.127 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccccc1C(C)(C)C ZINC001732780709 1204942492 /nfs/dbraw/zinc/94/24/92/1204942492.db2.gz NRKSZLLCMYJMDJ-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cccc2c1CCCCC2 ZINC001732780780 1204942569 /nfs/dbraw/zinc/94/25/69/1204942569.db2.gz QCWOPHBMWBPAHI-UHFFFAOYSA-N 0 3 312.457 3.031 20 30 DGEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1cc(C)ccc1OC ZINC001732790688 1204944457 /nfs/dbraw/zinc/94/44/57/1204944457.db2.gz NDRNBZJHSVBKHM-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1ccnc(Cl)c1 ZINC001732798610 1204945704 /nfs/dbraw/zinc/94/57/04/1204945704.db2.gz RNFMYSKYOFEEEP-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(Cl)c2occc21 ZINC001732807399 1204946200 /nfs/dbraw/zinc/94/62/00/1204946200.db2.gz NPPGEFSMNYAQLQ-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001732854626 1204952103 /nfs/dbraw/zinc/95/21/03/1204952103.db2.gz CYYYDUUYEMYTLY-WAYWQWQTSA-N 0 3 304.409 3.190 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001732908135 1204957789 /nfs/dbraw/zinc/95/77/89/1204957789.db2.gz BNOXPYGCKULXSM-JBVUFVISSA-N 0 3 312.457 3.102 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN[C@@H](C)c1cccc(Cl)c1F ZINC001732954711 1204964887 /nfs/dbraw/zinc/96/48/87/1204964887.db2.gz RPGMYBDQVBWFCD-OLZOCXBDSA-N 0 3 324.827 3.294 20 30 DGEDHN Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001733039053 1204993967 /nfs/dbraw/zinc/99/39/67/1204993967.db2.gz RIPAFNURGFCGNP-HNNXBMFYSA-N 0 3 318.436 3.120 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1(C)CCCC1 ZINC001733047516 1204999779 /nfs/dbraw/zinc/99/97/79/1204999779.db2.gz AVFBHFLBSBOSAN-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001733050012 1205002385 /nfs/dbraw/zinc/00/23/85/1205002385.db2.gz OAABEKQCPILKEX-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001733051169 1205003092 /nfs/dbraw/zinc/00/30/92/1205003092.db2.gz YKCKKAAYDXAINX-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001733066182 1205014617 /nfs/dbraw/zinc/01/46/17/1205014617.db2.gz LCPZSLNWPLXBMA-CXTNYUCXSA-N 0 3 304.478 3.071 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001733067646 1205016007 /nfs/dbraw/zinc/01/60/07/1205016007.db2.gz MNGNGLPNCGSNHG-GJZGRUSLSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001733067645 1205016219 /nfs/dbraw/zinc/01/62/19/1205016219.db2.gz MNGNGLPNCGSNHG-CABCVRRESA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCCC(=O)N[C@H](CN[C@H](C)c1ccccc1F)C1CC1 ZINC001733166367 1205031989 /nfs/dbraw/zinc/03/19/89/1205031989.db2.gz ORTFKYASHACKPF-CXAGYDPISA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001733208085 1205043825 /nfs/dbraw/zinc/04/38/25/1205043825.db2.gz TYSUVTWQQNKBFS-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001733216604 1205047608 /nfs/dbraw/zinc/04/76/08/1205047608.db2.gz WXPJTAYSSLDHGG-CHWSQXEVSA-N 0 3 323.387 3.178 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001733216666 1205048301 /nfs/dbraw/zinc/04/83/01/1205048301.db2.gz YBBOLHMMPJDIDR-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001733218960 1205049161 /nfs/dbraw/zinc/04/91/61/1205049161.db2.gz IOBSISYQBMJMHN-AZUAARDMSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001733220965 1205051028 /nfs/dbraw/zinc/05/10/28/1205051028.db2.gz KWKUHHOOLBNTAS-KGLIPLIRSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001733219354 1205051451 /nfs/dbraw/zinc/05/14/51/1205051451.db2.gz NXQVPXZRYRUXHI-SFHVURJKSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001733222562 1205052460 /nfs/dbraw/zinc/05/24/60/1205052460.db2.gz YQVVAJMMOKVZLG-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001733225087 1205055766 /nfs/dbraw/zinc/05/57/66/1205055766.db2.gz FHTQVIRUJTWMKX-WUJZJPHMSA-N 0 3 304.478 3.360 20 30 DGEDHN CCCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001733322760 1205096209 /nfs/dbraw/zinc/09/62/09/1205096209.db2.gz VKVRMRKUBUVQRL-MAUKXSAKSA-N 0 3 313.445 3.218 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)CCCC)C2 ZINC001733393123 1205115488 /nfs/dbraw/zinc/11/54/88/1205115488.db2.gz OEZZSXHLVJCXNP-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001733409661 1205122059 /nfs/dbraw/zinc/12/20/59/1205122059.db2.gz BVNSUVHHMBVFSS-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(c3ccccc3)CC2)C1 ZINC001733463302 1205144387 /nfs/dbraw/zinc/14/43/87/1205144387.db2.gz QTDNLIPYDCRKLC-LJQANCHMSA-N 0 3 312.457 3.123 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](F)c2ccccc2)C1 ZINC001733465538 1205146212 /nfs/dbraw/zinc/14/62/12/1205146212.db2.gz MRODBSAASKJNHR-SJLPKXTDSA-N 0 3 304.409 3.102 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3cccnc32)C1 ZINC001733465046 1205146692 /nfs/dbraw/zinc/14/66/92/1205146692.db2.gz XSWZAROICHSWKO-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)CCCCC1 ZINC001733512360 1205150053 /nfs/dbraw/zinc/15/00/53/1205150053.db2.gz CNHZRWSHXDIOTJ-BBWFWOEESA-N 0 3 322.468 3.452 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccoc1C)c1ccccc1CC ZINC001733515265 1205151186 /nfs/dbraw/zinc/15/11/86/1205151186.db2.gz UWWVBUNFHBGOII-IBGZPJMESA-N 0 3 324.424 3.234 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1C=CC=CC=C1)c1ccccc1CC ZINC001733518953 1205152881 /nfs/dbraw/zinc/15/28/81/1205152881.db2.gz STNLEYSZWJLJAR-FQEVSTJZSA-N 0 3 322.452 3.480 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC=CCCC1 ZINC001733571260 1205166142 /nfs/dbraw/zinc/16/61/42/1205166142.db2.gz KUWWNODSXNLHNR-HXUWFJFHSA-N 0 3 324.468 3.375 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(CCC)CCC ZINC001733607590 1205173340 /nfs/dbraw/zinc/17/33/40/1205173340.db2.gz TUZAQIXCIHMTBZ-QZTJIDSGSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2c(F)cccc2F)C1 ZINC001733640795 1205175490 /nfs/dbraw/zinc/17/54/90/1205175490.db2.gz OTIXUPRMQRFKEM-CQSZACIVSA-N 0 3 322.399 3.259 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1[nH]c(C)cc1C ZINC001733676508 1205181643 /nfs/dbraw/zinc/18/16/43/1205181643.db2.gz DRUZVSPQAVKAFU-UHFFFAOYSA-N 0 3 323.440 3.017 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC2=CCCCC2)cc1 ZINC001733681951 1205183299 /nfs/dbraw/zinc/18/32/99/1205183299.db2.gz MRWMONIBJOKETE-INIZCTEOSA-N 0 3 310.441 3.477 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@H](C)CCC=C(C)C)C2)CC1 ZINC001733695250 1205187683 /nfs/dbraw/zinc/18/76/83/1205187683.db2.gz WBXNDMFGZDKLQX-GOSISDBHSA-N 0 3 316.489 3.317 20 30 DGEDHN CC#CCNC1(CNC(=O)CCC2CCCCCC2)CCC1 ZINC001733719225 1205193072 /nfs/dbraw/zinc/19/30/72/1205193072.db2.gz ZNYBRMKRXGITSR-UHFFFAOYSA-N 0 3 304.478 3.389 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001733761465 1205201042 /nfs/dbraw/zinc/20/10/42/1205201042.db2.gz SZOAYVLFPQROCW-AQKVLALTSA-N 0 3 324.468 3.169 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001733764982 1205203404 /nfs/dbraw/zinc/20/34/04/1205203404.db2.gz YUMWDPYWUVDFPD-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001733775908 1205211506 /nfs/dbraw/zinc/21/15/06/1205211506.db2.gz GBAWIFFCYOPMRP-LJQANCHMSA-N 0 3 317.477 3.273 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001733898212 1205246006 /nfs/dbraw/zinc/24/60/06/1205246006.db2.gz HXPOVKHMVZCLSU-WMLDXEAASA-N 0 3 315.461 3.071 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@H]1C ZINC001733901161 1205246969 /nfs/dbraw/zinc/24/69/69/1205246969.db2.gz MRANSEOZGJSSSI-CVEARBPZSA-N 0 3 306.494 3.441 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C[C@@H]1C ZINC001733904293 1205249478 /nfs/dbraw/zinc/24/94/78/1205249478.db2.gz ZNZLQNIVZFPADJ-HKUYNNGSSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)/C=C\c1ccco1 ZINC001733923286 1205255448 /nfs/dbraw/zinc/25/54/48/1205255448.db2.gz NUWVSGDSFSJLKS-UQKJKQERSA-N 0 3 322.408 3.241 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1cccc(C(F)F)c1 ZINC001733933447 1205262824 /nfs/dbraw/zinc/26/28/24/1205262824.db2.gz HHGJLEOMRZEWNS-MRXNPFEDSA-N 0 3 322.399 3.276 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)c1cccc(F)c1 ZINC001733937316 1205264812 /nfs/dbraw/zinc/26/48/12/1205264812.db2.gz ZDOBBHARILTXAT-QGZVFWFLSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001733957784 1205270903 /nfs/dbraw/zinc/27/09/03/1205270903.db2.gz KQJHLNNPFPNPFF-IGEOTXOUSA-N 0 3 320.864 3.102 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001733966052 1205273678 /nfs/dbraw/zinc/27/36/78/1205273678.db2.gz XHXVIFJVZAYKDJ-GJZGRUSLSA-N 0 3 318.436 3.096 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1(C)CCCC1 ZINC001733984407 1205278709 /nfs/dbraw/zinc/27/87/09/1205278709.db2.gz LTMUBMLRVZUNBY-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNCc1ocnc1C ZINC001734019768 1205290349 /nfs/dbraw/zinc/29/03/49/1205290349.db2.gz GGUISVVBBJCOJT-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@H](C)c1cccc(F)c1 ZINC001734030013 1205294654 /nfs/dbraw/zinc/29/46/54/1205294654.db2.gz DFQVSUXYUKPAFL-HUUCEWRRSA-N 0 3 304.409 3.127 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2occc2C)CCCCC1 ZINC001734089515 1205319012 /nfs/dbraw/zinc/31/90/12/1205319012.db2.gz BLHAJLXDMYCSNK-UHFFFAOYSA-N 0 3 324.852 3.292 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001734122547 1205330029 /nfs/dbraw/zinc/33/00/29/1205330029.db2.gz PLMDXYPPNHBSOD-IAGOWNOFSA-N 0 3 312.457 3.378 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCNCc2c(C)noc2C)C1 ZINC001734251289 1205349597 /nfs/dbraw/zinc/34/95/97/1205349597.db2.gz PMHWCOQLMKFGHS-CYBMUJFWSA-N 0 3 319.449 3.022 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](CNCc1cncs1)C1CC1 ZINC001734297851 1205359086 /nfs/dbraw/zinc/35/90/86/1205359086.db2.gz YEQTZVRIFGXJGW-OAHLLOKOSA-N 0 3 321.490 3.072 20 30 DGEDHN CC(C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001734311806 1205361959 /nfs/dbraw/zinc/36/19/59/1205361959.db2.gz CRIDBTDYWXXKPA-CQSZACIVSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001734340830 1205367412 /nfs/dbraw/zinc/36/74/12/1205367412.db2.gz WICGRHKBFYJHOV-KBPBESRZSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2oc3ccccc3c2CC)C1 ZINC001734425560 1205375515 /nfs/dbraw/zinc/37/55/15/1205375515.db2.gz BWXTVIXKUXOFBN-HUUCEWRRSA-N 0 3 324.424 3.211 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CC3(C=C)CCCCC3)CCC[C@H]12 ZINC001734439844 1205377750 /nfs/dbraw/zinc/37/77/50/1205377750.db2.gz LLYXUQQEGDLGFG-PXNSSMCTSA-N 0 3 314.473 3.259 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC3(C=C)CCCCC3)CCC[C@H]12 ZINC001734439843 1205377783 /nfs/dbraw/zinc/37/77/83/1205377783.db2.gz LLYXUQQEGDLGFG-FXAWDEMLSA-N 0 3 314.473 3.259 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCOCC(C)C)[C@H]1C ZINC001734454070 1205380121 /nfs/dbraw/zinc/38/01/21/1205380121.db2.gz BWLWDWMXUAIXKZ-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cccc(C)c2)[C@H]1C ZINC001734464495 1205382613 /nfs/dbraw/zinc/38/26/13/1205382613.db2.gz YDNTVYTWMQZYLA-IEBWSBKVSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ncccc2C)C(C)(C)C1 ZINC001734500708 1205387967 /nfs/dbraw/zinc/38/79/67/1205387967.db2.gz LRPZBXCKRBKQOZ-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC(C)CC(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001734558030 1205394235 /nfs/dbraw/zinc/39/42/35/1205394235.db2.gz LMRGGTNDNJYNGV-HNNXBMFYSA-N 0 3 321.490 3.286 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C3(F)CCCCC3)CC2)CC1 ZINC001734603621 1205405103 /nfs/dbraw/zinc/40/51/03/1205405103.db2.gz INMOWRKFCRYDQZ-UHFFFAOYSA-N 0 3 320.452 3.043 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H](F)C2)c(F)c1 ZINC001734640801 1205408853 /nfs/dbraw/zinc/40/88/53/1205408853.db2.gz PSSQZKHFDNLFEQ-GOEBONIOSA-N 0 3 322.399 3.246 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001667226389 1197331756 /nfs/dbraw/zinc/33/17/56/1197331756.db2.gz HBKBVMKVIGUYDO-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001671916465 1197586050 /nfs/dbraw/zinc/58/60/50/1197586050.db2.gz MEQDKEIKWKKXJT-HNNXBMFYSA-N 0 3 312.866 3.419 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](CC)CC(F)F)CC1 ZINC001165414374 1090518397 /nfs/dbraw/zinc/51/83/97/1090518397.db2.gz XEUSFFOCCCYHQE-GFCCVEGCSA-N 0 3 322.827 3.296 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2sccc2CC)C1 ZINC001266252326 1081580021 /nfs/dbraw/zinc/58/00/21/1081580021.db2.gz RNARLJSLUMCLDG-HNNXBMFYSA-N 0 3 306.475 3.471 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001266280821 1081617300 /nfs/dbraw/zinc/61/73/00/1081617300.db2.gz UWPDYGHFWVLRBR-OAHLLOKOSA-N 0 3 306.425 3.019 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1cc(C2CC2)no1 ZINC001169705524 1081634043 /nfs/dbraw/zinc/63/40/43/1081634043.db2.gz LFQLNYCBOYWASL-AWEZNQCLSA-N 0 3 319.449 3.283 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001266311532 1081656205 /nfs/dbraw/zinc/65/62/05/1081656205.db2.gz AJFXUCLMBFNQSO-HNNXBMFYSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)CCc1ccccc1F ZINC001266320997 1081662413 /nfs/dbraw/zinc/66/24/13/1081662413.db2.gz PGCCARBHPBKITK-GOSISDBHSA-N 0 3 306.425 3.019 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC001266345775 1081687391 /nfs/dbraw/zinc/68/73/91/1081687391.db2.gz YEOGFOAAWXYKID-RTBURBONSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)SC)C2 ZINC001108965739 1081746266 /nfs/dbraw/zinc/74/62/66/1081746266.db2.gz IQJRKNXCERIKNR-WCVJEAGWSA-N 0 3 310.507 3.206 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001266408467 1081763974 /nfs/dbraw/zinc/76/39/74/1081763974.db2.gz JMIFRPRLFAYDGD-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C)C2 ZINC001109117845 1081768955 /nfs/dbraw/zinc/76/89/55/1081768955.db2.gz PQEWZLQSBNQRQD-PMPSAXMXSA-N 0 3 317.433 3.065 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109166638 1081775620 /nfs/dbraw/zinc/77/56/20/1081775620.db2.gz ZERXQFSOIUHTKM-QYZOEREBSA-N 0 3 310.441 3.102 20 30 DGEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001282745615 1081776972 /nfs/dbraw/zinc/77/69/72/1081776972.db2.gz UYBRIRFNBGFUEN-OAHLLOKOSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)c2ccccc12 ZINC001167171151 1081782063 /nfs/dbraw/zinc/78/20/63/1081782063.db2.gz NRORGQUTTOZCCK-UHFFFAOYSA-N 0 3 320.795 3.441 20 30 DGEDHN CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109245971 1081790074 /nfs/dbraw/zinc/79/00/74/1081790074.db2.gz JFNBUHGERBDSST-AABGKKOBSA-N 0 3 324.468 3.130 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246259 1081790387 /nfs/dbraw/zinc/79/03/87/1081790387.db2.gz UCBQTWJWHPTRTN-JYBIWHBTSA-N 0 3 324.468 3.437 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1[C@H](C)c1ccc(F)cc1 ZINC001266461890 1081857821 /nfs/dbraw/zinc/85/78/21/1081857821.db2.gz YQUQOJJOGYSFQU-CRAIPNDOSA-N 0 3 316.420 3.271 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1ccc(Cl)cc1 ZINC001266473899 1081877004 /nfs/dbraw/zinc/87/70/04/1081877004.db2.gz CHRZDJCVDVQMOT-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1Cc1cccc(C)c1 ZINC001266474107 1081877201 /nfs/dbraw/zinc/87/72/01/1081877201.db2.gz HSHYNZKGPIPUOT-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109601890 1081878965 /nfs/dbraw/zinc/87/89/65/1081878965.db2.gz SXRYMAOMQOSSFT-IKGGRYGDSA-N 0 3 302.462 3.421 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1Cl)C2 ZINC001109677240 1081897383 /nfs/dbraw/zinc/89/73/83/1081897383.db2.gz NDVYSLRRTBYRNI-XBFCOCLRSA-N 0 3 308.809 3.234 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC1CCCCC1)C2 ZINC001109792424 1081916235 /nfs/dbraw/zinc/91/62/35/1081916235.db2.gz CPZFPODEROHGMF-YSHGAJCASA-N 0 3 316.489 3.338 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C2 ZINC001109929587 1081935014 /nfs/dbraw/zinc/93/50/14/1081935014.db2.gz KNNABMCILBNAGL-AGIUHOORSA-N 0 3 318.383 3.263 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001266533598 1081963658 /nfs/dbraw/zinc/96/36/58/1081963658.db2.gz MTYIKRIUAPVNEK-YOEHRIQHSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001086541599 1081970787 /nfs/dbraw/zinc/97/07/87/1081970787.db2.gz POUDSVHZEMTPNG-KOMQPUFPSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2sccc2C2CC2)C1 ZINC001086547560 1081986367 /nfs/dbraw/zinc/98/63/67/1081986367.db2.gz PSIUXIMCJQKLSD-AULYBMBSSA-N 0 3 324.877 3.476 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)/C=C/c2ccco2)CCCCC1 ZINC001115385116 1081999153 /nfs/dbraw/zinc/99/91/53/1081999153.db2.gz YNVZEPJDDYVKIQ-BQYQJAHWSA-N 0 3 322.836 3.454 20 30 DGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC001167359116 1082025045 /nfs/dbraw/zinc/02/50/45/1082025045.db2.gz AVUYTMNHYUCVRB-MLGOLLRUSA-N 0 3 315.442 3.358 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001266581161 1082029605 /nfs/dbraw/zinc/02/96/05/1082029605.db2.gz SUSOFKSSFOCHGE-MRVWCRGKSA-N 0 3 308.372 3.229 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(CCC)CC2)C12CCC2 ZINC001203396427 1082044019 /nfs/dbraw/zinc/04/40/19/1082044019.db2.gz UNQGSQRJLCXYTF-UONOGXRCSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(Cc2cccc(C)c2)C2CC2)C1 ZINC001266609427 1082063163 /nfs/dbraw/zinc/06/31/63/1082063163.db2.gz NIBPZXQZMWMQFK-UHFFFAOYSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2oc(C(C)C)nc2C)C1 ZINC001266612172 1082069341 /nfs/dbraw/zinc/06/93/41/1082069341.db2.gz JVEDEOGSQJRCRO-HDJSIYSDSA-N 0 3 319.449 3.055 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCC(C)C)C1 ZINC001266662508 1082122238 /nfs/dbraw/zinc/12/22/38/1082122238.db2.gz GOKSOSTZOQMHOT-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC(C)C)C1 ZINC001266662510 1082122494 /nfs/dbraw/zinc/12/24/94/1082122494.db2.gz GOKSOSTZOQMHOT-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCCC(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC001279223483 1082127233 /nfs/dbraw/zinc/12/72/33/1082127233.db2.gz FRVFHLDTPKWBAQ-UHFFFAOYSA-N 0 3 324.877 3.284 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001266688875 1082147598 /nfs/dbraw/zinc/14/75/98/1082147598.db2.gz UJSQPXBHFBLCRQ-OKILXGFUSA-N 0 3 322.399 3.304 20 30 DGEDHN C[C@@H](NCCN(C)C(=O)C#CC1CC1)c1ccc(F)c(Cl)c1 ZINC001266694633 1082151794 /nfs/dbraw/zinc/15/17/94/1082151794.db2.gz UKSWDFSRJSUQGR-GFCCVEGCSA-N 0 3 322.811 3.002 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC001113266177 1082160982 /nfs/dbraw/zinc/16/09/82/1082160982.db2.gz NITKWGPWZFGVJL-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@H]1C ZINC001104349122 1082165376 /nfs/dbraw/zinc/16/53/76/1082165376.db2.gz GYMFJYPUIKAHPT-BMFZPTHFSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001086586272 1082170337 /nfs/dbraw/zinc/17/03/37/1082170337.db2.gz MEYKYKXKJLMULT-ZWKOTPCHSA-N 0 3 323.440 3.097 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]1C ZINC001104353719 1082175881 /nfs/dbraw/zinc/17/58/81/1082175881.db2.gz GDGDXLRUSKRRAM-VHDGCEQUSA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001480889496 1082197667 /nfs/dbraw/zinc/19/76/67/1082197667.db2.gz WAXPHVDSZTXBOE-ZWKOTPCHSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC001113400326 1082200416 /nfs/dbraw/zinc/20/04/16/1082200416.db2.gz LEPADVKGTCOQFU-IAGOWNOFSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001266804361 1082226445 /nfs/dbraw/zinc/22/64/45/1082226445.db2.gz GWBWCVOOSBMIFJ-HUUCEWRRSA-N 0 3 321.490 3.074 20 30 DGEDHN Cc1c(CN2CCC(Cc3ccc(C#N)cc3)CC2)cnn1C ZINC001204572460 1082242456 /nfs/dbraw/zinc/24/24/56/1082242456.db2.gz QHJUPUCQAIQEEK-UHFFFAOYSA-N 0 3 308.429 3.055 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCNCc1c(F)cccc1Cl ZINC001157719325 1082353882 /nfs/dbraw/zinc/35/38/82/1082353882.db2.gz YPUBWAJQPWENLC-UHFFFAOYSA-N 0 3 324.827 3.125 20 30 DGEDHN N#CC1(c2ccccc2)CCC(n2cnc3c2CNCC3)CC1 ZINC001170379441 1082363974 /nfs/dbraw/zinc/36/39/74/1082363974.db2.gz YMTGUXZXHCGKLI-UHFFFAOYSA-N 0 3 306.413 3.105 20 30 DGEDHN N#CC1(c2ccccc2)CCC(N2C[C@H](F)C[C@@H](CO)C2)CC1 ZINC001170379448 1082364042 /nfs/dbraw/zinc/36/40/42/1082364042.db2.gz YQZFDMJVZXNIIE-BJMVHTGZSA-N 0 3 316.420 3.043 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccccc1OC1CC1 ZINC001266961027 1082378787 /nfs/dbraw/zinc/37/87/87/1082378787.db2.gz GRXKOYAMVIVINE-AWEZNQCLSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC001114024808 1082396844 /nfs/dbraw/zinc/39/68/44/1082396844.db2.gz FVFZBCHGOBZFCQ-QLPKVWCKSA-N 0 3 320.383 3.137 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001170452425 1082478745 /nfs/dbraw/zinc/47/87/45/1082478745.db2.gz XSQNMIKTNUSJEO-WOJBJXKFSA-N 0 3 312.457 3.426 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001157920339 1082527600 /nfs/dbraw/zinc/52/76/00/1082527600.db2.gz WHNVVURORXJGMS-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001267117175 1082535585 /nfs/dbraw/zinc/53/55/85/1082535585.db2.gz QBENAEFDDXTERP-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001167573215 1082536859 /nfs/dbraw/zinc/53/68/59/1082536859.db2.gz HTAHIWXCWJYNMM-JKSUJKDBSA-N 0 3 324.896 3.441 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001267146606 1082562919 /nfs/dbraw/zinc/56/29/19/1082562919.db2.gz SLFHVEKTQKATGK-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC[C@H](F)CC)C1 ZINC001211551389 1082572524 /nfs/dbraw/zinc/57/25/24/1082572524.db2.gz MHCDOEHYYAJZSC-FGTMMUONSA-N 0 3 318.436 3.285 20 30 DGEDHN CN(CCNC(=O)C#CC(C)(C)C)Cc1ccc2ccccc2c1 ZINC001267193855 1082622796 /nfs/dbraw/zinc/62/27/96/1082622796.db2.gz FDYIZYQYNOXIPN-UHFFFAOYSA-N 0 3 322.452 3.437 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CN(C)CCOC(C)C ZINC001158377785 1082679021 /nfs/dbraw/zinc/67/90/21/1082679021.db2.gz PHFBEBIDXDDLGM-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)Cc1ccc(Cl)cc1 ZINC001267240267 1082687246 /nfs/dbraw/zinc/68/72/46/1082687246.db2.gz GHHFMFKSYYMRAM-UHFFFAOYSA-N 0 3 306.837 3.082 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131674182 1082704694 /nfs/dbraw/zinc/70/46/94/1082704694.db2.gz VKHVCYVMORCTEW-IEBWSBKVSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1cccc(OC)c1C ZINC001267263018 1082721851 /nfs/dbraw/zinc/72/18/51/1082721851.db2.gz FGTSNKVRPKZLIV-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC1CC(c2ccccc2)C1 ZINC001267271609 1082733145 /nfs/dbraw/zinc/73/31/45/1082733145.db2.gz YLYVTXMYIWHJBK-NKELODKYSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001267279226 1082741981 /nfs/dbraw/zinc/74/19/81/1082741981.db2.gz ZZZXIJINQGKSPP-GJZGRUSLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001267280063 1082742190 /nfs/dbraw/zinc/74/21/90/1082742190.db2.gz QPMFSYCZNAELAJ-IAGOWNOFSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001131959368 1082782329 /nfs/dbraw/zinc/78/23/29/1082782329.db2.gz DKNPMWIUNANQJL-QAPCUYQASA-N 0 3 320.477 3.049 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001267319036 1082789284 /nfs/dbraw/zinc/78/92/84/1082789284.db2.gz CPVAAXQRKREAEE-UHFFFAOYSA-N 0 3 323.440 3.147 20 30 DGEDHN C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC001132033279 1082798160 /nfs/dbraw/zinc/79/81/60/1082798160.db2.gz CWHAGDXNLRVTEH-FUHWJXTLSA-N 0 3 312.457 3.205 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132061148 1082804045 /nfs/dbraw/zinc/80/40/45/1082804045.db2.gz PGYBGQAIGBGHBI-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132061078 1082805351 /nfs/dbraw/zinc/80/53/51/1082805351.db2.gz OWFFPMKLEOMQMQ-CVEARBPZSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc(Cl)c1F)C1CC1 ZINC001267332123 1082806940 /nfs/dbraw/zinc/80/69/40/1082806940.db2.gz CQENDSWIMCKWNH-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CC=C(C)C)C2)CCC1 ZINC001132102508 1082817519 /nfs/dbraw/zinc/81/75/19/1082817519.db2.gz WSSHYJCFGOHINU-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\Cc2ccccc2)CC[C@H]1C ZINC001132115834 1082821750 /nfs/dbraw/zinc/82/17/50/1082821750.db2.gz KZDIFZQGHKSMBR-WIDBLJPWSA-N 0 3 312.457 3.331 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccsc2)CC[C@H]1C ZINC001132113405 1082822636 /nfs/dbraw/zinc/82/26/36/1082822636.db2.gz BSFFZVXVXNTTBL-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC(C)C)CCC2)CC[C@H]1C ZINC001132169460 1082829366 /nfs/dbraw/zinc/82/93/66/1082829366.db2.gz OXHQICZPESAMPG-IAGOWNOFSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)cc2)CC[C@H]1C ZINC001132160765 1082832019 /nfs/dbraw/zinc/83/20/19/1082832019.db2.gz RBPXJEIGDXJVIL-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cccc(C)c2)CC[C@H]1C ZINC001132205942 1082843045 /nfs/dbraw/zinc/84/30/45/1082843045.db2.gz BBQJKYFQQWPWMR-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C(F)F)CCCC2)CC[C@@H]1C ZINC001132238256 1082855391 /nfs/dbraw/zinc/85/53/91/1082855391.db2.gz QJRQPMBOXOAUSE-KBPBESRZSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132331155 1082883313 /nfs/dbraw/zinc/88/33/13/1082883313.db2.gz MANNCAKEUVTZJL-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN CCC1(C(=O)N(C)CCNCc2cccc(C#N)c2)CCCC1 ZINC001267450634 1082891323 /nfs/dbraw/zinc/89/13/23/1082891323.db2.gz UABGPVDBJGLZTN-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCCCCC)C[C@H]2OC)C1 ZINC001213416545 1082899553 /nfs/dbraw/zinc/89/95/53/1082899553.db2.gz BAYWRDOTPXJIMY-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CCCCC3)C(C)(C)[C@H]21 ZINC001087269874 1082916090 /nfs/dbraw/zinc/91/60/90/1082916090.db2.gz QEBRCKAYSTZFFL-QRQLOZEOSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2F)CC[C@H]1C ZINC001132481390 1082922429 /nfs/dbraw/zinc/92/24/29/1082922429.db2.gz FBLPRCFRBJQRBP-WBVHZDCISA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2nc(C)c(C)s2)CC[C@@H]1C ZINC001132489180 1082925176 /nfs/dbraw/zinc/92/51/76/1082925176.db2.gz HSBGLMHELWLREL-SWLSCSKDSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C3CCCCCC3)C(C)(C)[C@H]21 ZINC001087277879 1082930602 /nfs/dbraw/zinc/93/06/02/1082930602.db2.gz WPOATLUAVFZJBJ-SQNIBIBYSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C(C)=C3CCCC3)C(C)(C)[C@H]21 ZINC001087280609 1082934646 /nfs/dbraw/zinc/93/46/46/1082934646.db2.gz RNZKSDZMYXFLKC-SQNIBIBYSA-N 0 3 314.473 3.115 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001267481042 1082935810 /nfs/dbraw/zinc/93/58/10/1082935810.db2.gz DVMWGXWUAMSTAH-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001086688208 1082939194 /nfs/dbraw/zinc/93/91/94/1082939194.db2.gz DWNDSDHMCCPHRK-UONOGXRCSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132569595 1082948302 /nfs/dbraw/zinc/94/83/02/1082948302.db2.gz UWVAYSYVAVOJCW-GJZGRUSLSA-N 0 3 317.477 3.177 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C(C)=C3CCC3)C(C)(C)[C@H]21 ZINC001087286584 1082948966 /nfs/dbraw/zinc/94/89/66/1082948966.db2.gz UDPCLYVTOWEYFD-KURKYZTESA-N 0 3 314.473 3.115 20 30 DGEDHN CC#CCCCC(=O)NCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001132605230 1082954709 /nfs/dbraw/zinc/95/47/09/1082954709.db2.gz GLWSREHNWKSJHN-CYBMUJFWSA-N 0 3 324.827 3.440 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)C1(C)CC1 ZINC001267501607 1082961723 /nfs/dbraw/zinc/96/17/23/1082961723.db2.gz SDQFWYHXKVEVPP-UHFFFAOYSA-N 0 3 312.457 3.055 20 30 DGEDHN C#Cc1ccc(C(=O)NCCCN(C/C=C/Cl)C(C)C)cc1 ZINC001267505438 1082964483 /nfs/dbraw/zinc/96/44/83/1082964483.db2.gz WWFUYJMHZLBPNU-VZUCSPMQSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccon1)c1ccc(C(C)C)cc1 ZINC001267512128 1082971340 /nfs/dbraw/zinc/97/13/40/1082971340.db2.gz BAVSBXSAKVHQJA-QGZVFWFLSA-N 0 3 313.401 3.045 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC001267518749 1082978529 /nfs/dbraw/zinc/97/85/29/1082978529.db2.gz CEXFQNVPUJWYKN-WOJBJXKFSA-N 0 3 320.436 3.350 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(C)(C)[C@H]21 ZINC001087314160 1082985170 /nfs/dbraw/zinc/98/51/70/1082985170.db2.gz GNBDUGNQWIBOOI-QRVBRYPASA-N 0 3 324.468 3.237 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)cc(C)c3)C(C)(C)[C@@H]21 ZINC001087315324 1082985878 /nfs/dbraw/zinc/98/58/78/1082985878.db2.gz ZRURTDXHAHXDNX-GUDVDZBRSA-N 0 3 324.468 3.155 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)c1ccccc1 ZINC001267526573 1082989122 /nfs/dbraw/zinc/98/91/22/1082989122.db2.gz QMXMTCZMJXWONJ-ROMHJBHXSA-N 0 3 324.468 3.302 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104563785 1083115659 /nfs/dbraw/zinc/11/56/59/1083115659.db2.gz UURONUNQRSRPML-SQWLQELKSA-N 0 3 312.885 3.415 20 30 DGEDHN C=CCOCCN1CCC[C@H]1CNC(=O)CC1(C)CCCCC1 ZINC001481048355 1083133630 /nfs/dbraw/zinc/13/36/30/1083133630.db2.gz VXARNRNUEJMPPA-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001481073484 1083149688 /nfs/dbraw/zinc/14/96/88/1083149688.db2.gz NGIGTTZDVUUWTR-KRWDZBQOSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1C ZINC001104736186 1083199745 /nfs/dbraw/zinc/19/97/45/1083199745.db2.gz OHLGLINPBOXXEO-BPLDGKMQSA-N 0 3 310.869 3.003 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001133884638 1083206225 /nfs/dbraw/zinc/20/62/25/1083206225.db2.gz RWAHQXRMRFORIV-VXGBXAGGSA-N 0 3 309.479 3.099 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc(Cl)sc1Cl ZINC001481137710 1083207479 /nfs/dbraw/zinc/20/74/79/1083207479.db2.gz VRKZRYIWHVFIAQ-UHFFFAOYSA-N 0 3 319.257 3.130 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2sccc2s1 ZINC001481139841 1083208670 /nfs/dbraw/zinc/20/86/70/1083208670.db2.gz NZKFOKHSKBRPLN-UHFFFAOYSA-N 0 3 306.456 3.038 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(C(F)F)c1 ZINC001481152691 1083214313 /nfs/dbraw/zinc/21/43/13/1083214313.db2.gz XTJWMMHJDJNRMD-UHFFFAOYSA-N 0 3 308.372 3.089 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001267617982 1083217262 /nfs/dbraw/zinc/21/72/62/1083217262.db2.gz VXWGFWOQMRVYPB-QAPCUYQASA-N 0 3 320.502 3.474 20 30 DGEDHN C[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)CC(C)(C)C ZINC001134254573 1083260795 /nfs/dbraw/zinc/26/07/95/1083260795.db2.gz HAJNRMWPIHNSQP-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001267683773 1083262289 /nfs/dbraw/zinc/26/22/89/1083262289.db2.gz OYYAYSUTUBZCNB-GOSISDBHSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001267687793 1083264912 /nfs/dbraw/zinc/26/49/12/1083264912.db2.gz OBNXEUJRJCLGRI-SFHVURJKSA-N 0 3 312.457 3.324 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001267722055 1083282614 /nfs/dbraw/zinc/28/26/14/1083282614.db2.gz UZAFCXIQZYNEGN-SFHVURJKSA-N 0 3 323.440 3.052 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001134419020 1083287391 /nfs/dbraw/zinc/28/73/91/1083287391.db2.gz RZXJECSITKMJSG-ZIAGYGMSSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCC(=C)Br ZINC001134469729 1083294114 /nfs/dbraw/zinc/29/41/14/1083294114.db2.gz HQNOSUGPJXPSRK-CHWSQXEVSA-N 0 3 317.271 3.124 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134470165 1083294381 /nfs/dbraw/zinc/29/43/81/1083294381.db2.gz NWWIMVWFSOMWSA-CHWSQXEVSA-N 0 3 309.479 3.181 20 30 DGEDHN C#CCCCCC(=O)N(C)CCNCc1ccc(Cl)s1 ZINC001481223058 1083305389 /nfs/dbraw/zinc/30/53/89/1083305389.db2.gz RUGZYARUJQTKPL-UHFFFAOYSA-N 0 3 312.866 3.143 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1C ZINC001104865386 1083319915 /nfs/dbraw/zinc/31/99/15/1083319915.db2.gz LBEKHQSSKGVTRA-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN CCCC[C@](C)(F)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481250901 1083334147 /nfs/dbraw/zinc/33/41/47/1083334147.db2.gz SILPBMOOGYYQCS-SFHVURJKSA-N 0 3 319.424 3.025 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001267771648 1083334954 /nfs/dbraw/zinc/33/49/54/1083334954.db2.gz KSCYTHGOJXMVEP-YOEHRIQHSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@H](C)CCC)C[C@H]1C(F)(F)F ZINC001112065687 1083339215 /nfs/dbraw/zinc/33/92/15/1083339215.db2.gz LEDDUIFDCJQPDQ-MGPQQGTHSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C[C@H](C)OC)C2)CCCCC1 ZINC001267777290 1083340837 /nfs/dbraw/zinc/34/08/37/1083340837.db2.gz MMHTYNRILDFBMU-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCC(C)(C)c2ccccc2)C1 ZINC001267779423 1083341384 /nfs/dbraw/zinc/34/13/84/1083341384.db2.gz QVYDJMKTUYQCPU-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001267784834 1083345541 /nfs/dbraw/zinc/34/55/41/1083345541.db2.gz RHYOLCNEJZPCGG-LJQANCHMSA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001267792859 1083350953 /nfs/dbraw/zinc/35/09/53/1083350953.db2.gz BQAMFWDYWVLVJB-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN CC[C@@H](CNC(=O)C1CCCCC1)NCC#Cc1ccccc1 ZINC001267792904 1083351011 /nfs/dbraw/zinc/35/10/11/1083351011.db2.gz IQTNCCUCSFFQNU-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN CC[C@H](CNC(=O)C[C@@H](C)CC)NCc1ccc(C#N)c(F)c1 ZINC001267798176 1083353515 /nfs/dbraw/zinc/35/35/15/1083353515.db2.gz BOAJXNLSGIJHCY-XJKSGUPXSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001181535157 1083485910 /nfs/dbraw/zinc/48/59/10/1083485910.db2.gz MRBPBGXQQSLHBL-TZMCWYRMSA-N 0 3 308.372 3.183 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001181535062 1083486110 /nfs/dbraw/zinc/48/61/10/1083486110.db2.gz MRBPBGXQQSLHBL-GXTWGEPZSA-N 0 3 308.372 3.183 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001181820725 1083548096 /nfs/dbraw/zinc/54/80/96/1083548096.db2.gz PVZNRZGXXBCRKY-IBGZPJMESA-N 0 3 314.473 3.194 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC001267936129 1083599929 /nfs/dbraw/zinc/59/99/29/1083599929.db2.gz HSUOYQKBICAHTN-LJQANCHMSA-N 0 3 324.468 3.386 20 30 DGEDHN CCC(CC)CC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001481295585 1083712012 /nfs/dbraw/zinc/71/20/12/1083712012.db2.gz BROMMNSLJKFUBP-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(N)c(C#N)c3)cc2)CC1 ZINC001213435922 1083764686 /nfs/dbraw/zinc/76/46/86/1083764686.db2.gz IJLAUZSUUKCRGZ-UHFFFAOYSA-N 0 3 321.428 3.026 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)CCC)C[C@H]1c1ccccc1 ZINC001211664273 1083767520 /nfs/dbraw/zinc/76/75/20/1083767520.db2.gz UGLYTXIFYXLGHD-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN CN(Cc1cncc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC001182763395 1083789014 /nfs/dbraw/zinc/78/90/14/1083789014.db2.gz FJWGPTDGWZESHN-HXUWFJFHSA-N 0 3 317.392 3.272 20 30 DGEDHN C=CCCSCCNCc1cc(OC)c(O)cc1Cl ZINC001182783662 1083803013 /nfs/dbraw/zinc/80/30/13/1083803013.db2.gz XUZXNJULHDXWCQ-UHFFFAOYSA-N 0 3 301.839 3.453 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)C)c1ccc(C(C)C)cc1 ZINC001481357762 1083818483 /nfs/dbraw/zinc/81/84/83/1083818483.db2.gz KDLHVRPXFPDMNU-GOSISDBHSA-N 0 3 300.446 3.236 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cscc1C)c1ccccc1 ZINC001481363257 1083824283 /nfs/dbraw/zinc/82/42/83/1083824283.db2.gz KKTQASNSQDTJOZ-KRWDZBQOSA-N 0 3 312.438 3.141 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)C1CCC1)c1ccccc1 ZINC001481366141 1083826001 /nfs/dbraw/zinc/82/60/01/1083826001.db2.gz VWUCNJYFRSGFGP-YJBOKZPZSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001481410326 1083880395 /nfs/dbraw/zinc/88/03/95/1083880395.db2.gz FHWPTKJMVFCNNX-PKOBYXMFSA-N 0 3 312.457 3.126 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001183364941 1083927149 /nfs/dbraw/zinc/92/71/49/1083927149.db2.gz DXGRJDOKQMXRNU-WMLDXEAASA-N 0 3 304.434 3.015 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)CCCC1 ZINC001268041493 1083963882 /nfs/dbraw/zinc/96/38/82/1083963882.db2.gz XZFLWQZSTFVAIG-ZBFHGGJFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)C(C)C ZINC001183579937 1083977894 /nfs/dbraw/zinc/97/78/94/1083977894.db2.gz QKXYAWFLZCMCBN-ROUUACIJSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2[nH]c(C)cc2C)CCCC1 ZINC001268045743 1083988646 /nfs/dbraw/zinc/98/86/46/1083988646.db2.gz MLTKRIOUWHXWTH-UHFFFAOYSA-N 0 3 309.841 3.016 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)/C(C)=C/C)C1 ZINC001481508289 1084033839 /nfs/dbraw/zinc/03/38/39/1084033839.db2.gz HWHLLIBGXJNSHI-PUQBOAQESA-N 0 3 324.468 3.469 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183961197 1084074909 /nfs/dbraw/zinc/07/49/09/1084074909.db2.gz XNUBFCPTAZRKOR-CVEARBPZSA-N 0 3 316.445 3.046 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2sc3ccccc3c2C)C1 ZINC001184068536 1084091483 /nfs/dbraw/zinc/09/14/83/1084091483.db2.gz FYCBEKSRTMEZNF-CQSZACIVSA-N 0 3 312.438 3.037 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001184078206 1084101468 /nfs/dbraw/zinc/10/14/68/1084101468.db2.gz MWQYUCDUHRQNGD-SHFBUDTHSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001151388270 1084106626 /nfs/dbraw/zinc/10/66/26/1084106626.db2.gz YTBMAJYAHXQGJZ-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184402440 1084171338 /nfs/dbraw/zinc/17/13/38/1084171338.db2.gz HETDNIRSAHMALY-INIZCTEOSA-N 0 3 318.848 3.082 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@@H](C)NCc2csc(C)n2)C1 ZINC001268167761 1084269902 /nfs/dbraw/zinc/26/99/02/1084269902.db2.gz HBVSUHLLJDISGN-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001268182131 1084294933 /nfs/dbraw/zinc/29/49/33/1084294933.db2.gz UBEJGSHXFSKMDJ-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C/C=C(/C)C(=O)N1CCC[C@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001268183915 1084297505 /nfs/dbraw/zinc/29/75/05/1084297505.db2.gz HYXPOPCOKJEGCV-PGGALJLESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1scnc1C ZINC001282166273 1084322212 /nfs/dbraw/zinc/32/22/12/1084322212.db2.gz DPQYIXQGLHRLRL-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001268216496 1084342010 /nfs/dbraw/zinc/34/20/10/1084342010.db2.gz IRLSURPPOXOZLH-HNNXBMFYSA-N 0 3 320.502 3.474 20 30 DGEDHN CC(C)[C@H](CNC(=O)[C@]1(C)C=CCC1)NCC#Cc1ccccc1 ZINC001268219150 1084345639 /nfs/dbraw/zinc/34/56/39/1084345639.db2.gz LWBGXMFGJMCSNL-PZJWPPBQSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)c1ccc(C)o1)C(C)C ZINC001268221779 1084349519 /nfs/dbraw/zinc/34/95/19/1084349519.db2.gz DYHBTNVWGNWODN-KBPBESRZSA-N 0 3 312.841 3.174 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)CCc1ccccc1 ZINC001268245248 1084396274 /nfs/dbraw/zinc/39/62/74/1084396274.db2.gz NWXKPSQACNQNDA-UHFFFAOYSA-N 0 3 302.462 3.222 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001268257080 1084420871 /nfs/dbraw/zinc/42/08/71/1084420871.db2.gz SDHORCCSQIOPPC-FUHWJXTLSA-N 0 3 302.462 3.393 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001268258616 1084422981 /nfs/dbraw/zinc/42/29/81/1084422981.db2.gz FFVGWTHOSPUZHA-HNNXBMFYSA-N 0 3 322.880 3.485 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(C2CC2)c1 ZINC001481675671 1084467485 /nfs/dbraw/zinc/46/74/85/1084467485.db2.gz YBYRXRVNMDCJOL-PMACEKPBSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ccc21 ZINC001481678101 1084471222 /nfs/dbraw/zinc/47/12/22/1084471222.db2.gz NPNBLMWIXBZXLB-GJZGRUSLSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C)cc(C)c1 ZINC001110367586 1084511945 /nfs/dbraw/zinc/51/19/45/1084511945.db2.gz MVHKMYNINORAJC-QRVBRYPASA-N 0 3 312.457 3.491 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(CC)c1 ZINC001110368658 1084517836 /nfs/dbraw/zinc/51/78/36/1084517836.db2.gz IKOPGZZHCBKDAU-QRVBRYPASA-N 0 3 312.457 3.437 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(CCC)cc1 ZINC001268392464 1084555154 /nfs/dbraw/zinc/55/51/54/1084555154.db2.gz BZUHSAJWDAFVIG-AWEZNQCLSA-N 0 3 308.853 3.490 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2c(F)cccc2F)C1 ZINC001268398250 1084562304 /nfs/dbraw/zinc/56/23/04/1084562304.db2.gz IQNZRUZSIXLTSE-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(CCOCC)CCCC2)C1 ZINC001481744170 1084563729 /nfs/dbraw/zinc/56/37/29/1084563729.db2.gz UKFPCSQYZPIGEQ-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccsc2)C1 ZINC001481768662 1084621207 /nfs/dbraw/zinc/62/12/07/1084621207.db2.gz RAJUHJIIZPKKTP-INIZCTEOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CC)cc1 ZINC001110378829 1084628352 /nfs/dbraw/zinc/62/83/52/1084628352.db2.gz JOVHPYSQAHVJDV-QRVBRYPASA-N 0 3 312.457 3.437 20 30 DGEDHN CCC(CC)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001481789633 1084638394 /nfs/dbraw/zinc/63/83/94/1084638394.db2.gz CKUVUZAQRXXXEG-CYBMUJFWSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)N[C@H](C)c1ccc(F)cc1F ZINC001481809140 1084645551 /nfs/dbraw/zinc/64/55/51/1084645551.db2.gz IFDAXOGNPHTNDD-UKRRQHHQSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(Cl)c[nH]2)CCCC1 ZINC001481888821 1084686783 /nfs/dbraw/zinc/68/67/83/1084686783.db2.gz QMFVPMRMIIDCBU-UHFFFAOYSA-N 0 3 316.232 3.053 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1sccc1C)C1CC1 ZINC001481919963 1084705613 /nfs/dbraw/zinc/70/56/13/1084705613.db2.gz WIIMYNZNHHAWLJ-HNNXBMFYSA-N 0 3 312.866 3.297 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CC[C@H](C)c1ccccc1 ZINC001268481729 1084701620 /nfs/dbraw/zinc/70/16/20/1084701620.db2.gz DOQXPURKJJERJP-KRWDZBQOSA-N 0 3 300.446 3.032 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccsc1C)C1CC1 ZINC001481928967 1084710679 /nfs/dbraw/zinc/71/06/79/1084710679.db2.gz WABZREUMCBKSLA-OAHLLOKOSA-N 0 3 312.866 3.297 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 ZINC001481931246 1084714080 /nfs/dbraw/zinc/71/40/80/1084714080.db2.gz MPOVTEJNYCIICD-CXHZTBPHSA-N 0 3 322.880 3.216 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1occ2c1CCC2)C1CC1 ZINC001481939197 1084718366 /nfs/dbraw/zinc/71/83/66/1084718366.db2.gz MKJSKQJHDROHAR-QGZVFWFLSA-N 0 3 322.836 3.009 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CC2CCCC2)[C@H](OC)C1 ZINC001211779893 1084741851 /nfs/dbraw/zinc/74/18/51/1084741851.db2.gz OVSBMIFPSJQPGI-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)(C)C#CC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001482028652 1084778191 /nfs/dbraw/zinc/77/81/91/1084778191.db2.gz CRFLKUZCSADYFG-NYYWCZLTSA-N 0 3 318.848 3.194 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001167919760 1084791855 /nfs/dbraw/zinc/79/18/55/1084791855.db2.gz IWQCFBIEOWRREU-CHWSQXEVSA-N 0 3 312.866 3.008 20 30 DGEDHN CCC(CC)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001482053493 1084804550 /nfs/dbraw/zinc/80/45/50/1084804550.db2.gz JYKYJMIRIHCYSJ-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1cccc(OC)c1 ZINC001268575496 1084831241 /nfs/dbraw/zinc/83/12/41/1084831241.db2.gz YNWKFTSUGULASZ-SREVYHEPSA-N 0 3 316.445 3.060 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@H](OC)C1 ZINC001211822923 1084848811 /nfs/dbraw/zinc/84/88/11/1084848811.db2.gz NUFDFNUZVWZNNM-RCCFBDPRSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001268603084 1084889540 /nfs/dbraw/zinc/88/95/40/1084889540.db2.gz KRMLJEJHPWSDBS-ZMJQMOPZSA-N 0 3 304.478 3.124 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001268661398 1084924859 /nfs/dbraw/zinc/92/48/59/1084924859.db2.gz UHQXEKOQINOIGI-CHWSQXEVSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](C)CNCc1cccnc1)c1ccccc1 ZINC001268716816 1084969363 /nfs/dbraw/zinc/96/93/63/1084969363.db2.gz MIQHXANDZIQHJO-LPHOPBHVSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCOc1ccccc1 ZINC001268740727 1085012681 /nfs/dbraw/zinc/01/26/81/1085012681.db2.gz LWWNKVNTZLDSDL-INIZCTEOSA-N 0 3 318.461 3.104 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001268744343 1085016148 /nfs/dbraw/zinc/01/61/48/1085016148.db2.gz VGNJRTANYJSVNH-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001268767362 1085043929 /nfs/dbraw/zinc/04/39/29/1085043929.db2.gz PDSTUHKRBLYPRX-NVXWUHKLSA-N 0 3 316.445 3.237 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001269051608 1085106530 /nfs/dbraw/zinc/10/65/30/1085106530.db2.gz DPDBRTBPFIIMNX-KRWDZBQOSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001269052152 1085106701 /nfs/dbraw/zinc/10/67/01/1085106701.db2.gz VXMHFLODHLLSCD-KRWDZBQOSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001269150896 1085166750 /nfs/dbraw/zinc/16/67/50/1085166750.db2.gz DBUKDEZHPVURHY-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCc2ccc(C)cc2)C1 ZINC001269202792 1085200350 /nfs/dbraw/zinc/20/03/50/1085200350.db2.gz BBVUDDDCWYVCIB-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001269279749 1085265706 /nfs/dbraw/zinc/26/57/06/1085265706.db2.gz CYNNWPIDHABECX-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccn(C)c1C ZINC001269290562 1085272756 /nfs/dbraw/zinc/27/27/56/1085272756.db2.gz BLJYJGZLXQXLIY-INIZCTEOSA-N 0 3 305.466 3.108 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCc2sccc2C)C1 ZINC001269293123 1085276504 /nfs/dbraw/zinc/27/65/04/1085276504.db2.gz SLTHFQNEYPAKNN-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN C#CCC1(C(=O)N(C)[C@H]2CCN(CC(=C)C)C2)CCCCC1 ZINC001269301991 1085281157 /nfs/dbraw/zinc/28/11/57/1085281157.db2.gz PBKYFCBTHRMRAX-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCN1CC/C=C/CCC ZINC001269337665 1085315477 /nfs/dbraw/zinc/31/54/77/1085315477.db2.gz MQUJHLGNIHVCMU-ROUKRRSUSA-N 0 3 324.468 3.147 20 30 DGEDHN CC(C)CCCN1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001269349249 1085324298 /nfs/dbraw/zinc/32/42/98/1085324298.db2.gz BWFFRPNYAHZELV-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)N[C@H](C)c1ccc(F)cc1F ZINC001269378739 1085351377 /nfs/dbraw/zinc/35/13/77/1085351377.db2.gz UYUNCKWMLYXQKP-TZMCWYRMSA-N 0 3 310.388 3.476 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1ccnc(Cl)c1 ZINC001269413422 1085374490 /nfs/dbraw/zinc/37/44/90/1085374490.db2.gz UNNDXMDMSDOTQX-CQSZACIVSA-N 0 3 309.841 3.076 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001269453010 1085395267 /nfs/dbraw/zinc/39/52/67/1085395267.db2.gz AARSEUZYXVABCG-PKOBYXMFSA-N 0 3 312.457 3.125 20 30 DGEDHN CC#CCCCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001269468982 1085403531 /nfs/dbraw/zinc/40/35/31/1085403531.db2.gz PGWKDIIKCFXBAK-OAHLLOKOSA-N 0 3 316.420 3.319 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCN(CC#CC)C1 ZINC001269555843 1085463818 /nfs/dbraw/zinc/46/38/18/1085463818.db2.gz HXVWOYGZVOFJKP-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1C[C@@H]1C1CCCC1)C(C)C ZINC001284554037 1085476455 /nfs/dbraw/zinc/47/64/55/1085476455.db2.gz YBUOTRHWJSVUBG-MSOLQXFVSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2ccco2)CCCC[C@@H]1C ZINC001269675443 1085523299 /nfs/dbraw/zinc/52/32/99/1085523299.db2.gz AQYJFKFBHAXYET-SUMWQHHRSA-N 0 3 324.852 3.229 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001269689779 1085528356 /nfs/dbraw/zinc/52/83/56/1085528356.db2.gz PTKMRJWVBFKVAW-HNNXBMFYSA-N 0 3 306.837 3.271 20 30 DGEDHN C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001269698554 1085535390 /nfs/dbraw/zinc/53/53/90/1085535390.db2.gz VRENXVRWNGNMCD-INIZCTEOSA-N 0 3 316.445 3.190 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](CCC)CC(C)C)C2)CC1 ZINC001269713710 1085539764 /nfs/dbraw/zinc/53/97/64/1085539764.db2.gz HCBJSCBHDSGRDD-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001269736947 1085545614 /nfs/dbraw/zinc/54/56/14/1085545614.db2.gz OLUMCTRNNZHOGV-OAHLLOKOSA-N 0 3 318.383 3.220 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001269770422 1085560323 /nfs/dbraw/zinc/56/03/23/1085560323.db2.gz LMLXUXQCXQOIPN-LSDHHAIUSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001269770419 1085560610 /nfs/dbraw/zinc/56/06/10/1085560610.db2.gz LMLXUXQCXQOIPN-CABCVRRESA-N 0 3 310.869 3.147 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1cccc(C(C)C)n1 ZINC001270016558 1085656270 /nfs/dbraw/zinc/65/62/70/1085656270.db2.gz VCPQIQZKBBTKHK-KRWDZBQOSA-N 0 3 315.461 3.252 20 30 DGEDHN C=CCCC(=O)NCCC1CCN(Cc2cnc(C)s2)CC1 ZINC001270103391 1085693783 /nfs/dbraw/zinc/69/37/83/1085693783.db2.gz ZEHHIJWDOQDHNP-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C[C@H](C#N)c1cccc(C(=O)N2CC3(C2)CN(C2CCCC2)C3)c1 ZINC001270138708 1085706202 /nfs/dbraw/zinc/70/62/02/1085706202.db2.gz IOSKILOHCPFJBN-OAHLLOKOSA-N 0 3 323.440 3.014 20 30 DGEDHN C#CCNC[C@H](NC(=O)CCC1CC1)c1ccc2ccccc2c1 ZINC001270369138 1085788373 /nfs/dbraw/zinc/78/83/73/1085788373.db2.gz MCLMUVDWYLPFQK-FQEVSTJZSA-N 0 3 320.436 3.410 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2cc(C)sc2C)C1 ZINC001270558984 1085859483 /nfs/dbraw/zinc/85/94/83/1085859483.db2.gz UDISZVXGKCEVIO-KRWDZBQOSA-N 0 3 306.475 3.412 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001114940084 1085944702 /nfs/dbraw/zinc/94/47/02/1085944702.db2.gz VMSRRPZNNYZGCZ-YRXWBPOGSA-N 0 3 312.457 3.049 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNCc1ncc(C)s1 ZINC001482444826 1086201278 /nfs/dbraw/zinc/20/12/78/1086201278.db2.gz QWJVOFKQIKSNMB-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNCc1oc(C)nc1C ZINC001482444130 1086201595 /nfs/dbraw/zinc/20/15/95/1086201595.db2.gz IWYZDFCMWDTSLV-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001270948421 1086210202 /nfs/dbraw/zinc/21/02/02/1086210202.db2.gz RZAHMEQQMLMKRD-KGLIPLIRSA-N 0 3 322.399 3.266 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001270948422 1086210360 /nfs/dbraw/zinc/21/03/60/1086210360.db2.gz RZAHMEQQMLMKRD-UONOGXRCSA-N 0 3 322.399 3.266 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001271006879 1086245821 /nfs/dbraw/zinc/24/58/21/1086245821.db2.gz COPUSAIBSHHGSI-LJQANCHMSA-N 0 3 317.477 3.231 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001271017460 1086253898 /nfs/dbraw/zinc/25/38/98/1086253898.db2.gz QEWWMVHOHZFAFF-PXNSSMCTSA-N 0 3 314.473 3.270 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CCC1(F)F ZINC001482453450 1086275904 /nfs/dbraw/zinc/27/59/04/1086275904.db2.gz QDNQMBXZOCXTBF-STQMWFEESA-N 0 3 320.811 3.145 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001271073721 1086276321 /nfs/dbraw/zinc/27/63/21/1086276321.db2.gz BQBYVAIHEQLMCE-QZTJIDSGSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CCCC#CC ZINC001482454078 1086279345 /nfs/dbraw/zinc/27/93/45/1086279345.db2.gz FFQLQOMVYZNILQ-MRXNPFEDSA-N 0 3 310.869 3.293 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001271083255 1086279437 /nfs/dbraw/zinc/27/94/37/1086279437.db2.gz PDOSISRFXRXRHG-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc(C(C)(C)C)n2)[C@H]1CC ZINC001087569623 1086309661 /nfs/dbraw/zinc/30/96/61/1086309661.db2.gz FUKFFRSGTTZJRB-DZGCQCFKSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@H]1CC ZINC001087648375 1086339957 /nfs/dbraw/zinc/33/99/57/1086339957.db2.gz JDYOTBOXENUGFF-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H]1CC ZINC001087675267 1086353482 /nfs/dbraw/zinc/35/34/82/1086353482.db2.gz CREITIQAMYKRBD-DLBZAZTESA-N 0 3 313.445 3.036 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@H]1CC ZINC001087698775 1086367578 /nfs/dbraw/zinc/36/75/78/1086367578.db2.gz LVQKZDCMDSFRCZ-JKSUJKDBSA-N 0 3 302.418 3.009 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1CC ZINC001087740983 1086390822 /nfs/dbraw/zinc/39/08/22/1086390822.db2.gz IJRBTUPVWOFJMI-ZWKOTPCHSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1CC ZINC001087758002 1086401995 /nfs/dbraw/zinc/40/19/95/1086401995.db2.gz XQTTYBUBGRSTIP-ZSYWTGECSA-N 0 3 312.457 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)[C@H]1CC ZINC001087769851 1086404635 /nfs/dbraw/zinc/40/46/35/1086404635.db2.gz YXCWVQDRPVVPMV-RBUKOAKNSA-N 0 3 323.440 3.312 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001482468601 1086414763 /nfs/dbraw/zinc/41/47/63/1086414763.db2.gz LLUSFZOKOYNMMB-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)[C@H]1CC ZINC001087815089 1086423229 /nfs/dbraw/zinc/42/32/29/1086423229.db2.gz TVWSBWQUFLTVAB-IXDOHACOSA-N 0 3 318.848 3.135 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)NCc2cnc(C)o2)C1 ZINC001271634739 1086692424 /nfs/dbraw/zinc/69/24/24/1086692424.db2.gz IAHLCAKGEAVKII-GOEBONIOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001088259800 1086729082 /nfs/dbraw/zinc/72/90/82/1086729082.db2.gz PTNWIDKBVWCZKH-HOTGVXAUSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001088269992 1086747136 /nfs/dbraw/zinc/74/71/36/1086747136.db2.gz XXFSCBNDWJSWFL-QSOAKEGCSA-N 0 3 310.869 3.456 20 30 DGEDHN CCCC(=O)NC[C@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC001271800009 1086771179 /nfs/dbraw/zinc/77/11/79/1086771179.db2.gz OYSZOWGXDKCFBH-KRWDZBQOSA-N 0 3 320.864 3.222 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001271819618 1086782061 /nfs/dbraw/zinc/78/20/61/1086782061.db2.gz OXPAPSCAEQAWIL-FPOVZHCZSA-N 0 3 324.468 3.208 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001271830504 1086785496 /nfs/dbraw/zinc/78/54/96/1086785496.db2.gz SHNILXUOEBXKQI-HKUYNNGSSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CC(C)C)C[C@H]1C(F)(F)F ZINC001112191088 1086798442 /nfs/dbraw/zinc/79/84/42/1086798442.db2.gz HMELHMLJICMYDD-CHWSQXEVSA-N 0 3 320.399 3.224 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CCCCCC)C[C@@H]2C1 ZINC001271886825 1086806865 /nfs/dbraw/zinc/80/68/65/1086806865.db2.gz BAHUYRRJXQNZKC-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001088392149 1086905437 /nfs/dbraw/zinc/90/54/37/1086905437.db2.gz BVFGDLSPZDYRKL-HUUCEWRRSA-N 0 3 300.874 3.392 20 30 DGEDHN C[C@@H]1C[C@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001168143746 1086983736 /nfs/dbraw/zinc/98/37/36/1086983736.db2.gz LGGOOUAYFWUJLG-HUUCEWRRSA-N 0 3 302.393 3.250 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1oc2ccc(F)cc2c1C ZINC001482602941 1087044813 /nfs/dbraw/zinc/04/48/13/1087044813.db2.gz MQXWJWLXJINUKA-UHFFFAOYSA-N 0 3 304.365 3.070 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)COc1ccc(C(C)C)cc1 ZINC001482611434 1087055015 /nfs/dbraw/zinc/05/50/15/1087055015.db2.gz WIDKYEDEBRZVIG-UHFFFAOYSA-N 0 3 318.461 3.155 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3scnc32)[C@H]1C ZINC001088564351 1087066216 /nfs/dbraw/zinc/06/62/16/1087066216.db2.gz MMQKGYJRTMTJNH-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001482618411 1087085562 /nfs/dbraw/zinc/08/55/62/1087085562.db2.gz OMFOFSUCBVCSQB-UHFFFAOYSA-N 0 3 305.809 3.011 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC001482648279 1087101282 /nfs/dbraw/zinc/10/12/82/1087101282.db2.gz BJTUSAWXQFNLPE-UHFFFAOYSA-N 0 3 318.417 3.068 20 30 DGEDHN COc1ccc2c(c1)C[C@H](N1CCc3ccc(C#N)cc3C1)C2 ZINC001168264916 1087103315 /nfs/dbraw/zinc/10/33/15/1087103315.db2.gz XANPXKFCYUCERO-LJQANCHMSA-N 0 3 304.393 3.092 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](N1CCc3ccc(C#N)cc3C1)C2 ZINC001168264915 1087103324 /nfs/dbraw/zinc/10/33/24/1087103324.db2.gz XANPXKFCYUCERO-IBGZPJMESA-N 0 3 304.393 3.092 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)[C@H]1C ZINC001088606390 1087130363 /nfs/dbraw/zinc/13/03/63/1087130363.db2.gz QDLOJQQDQSTUFP-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C[C@H]2C=CCCC2)c1 ZINC001483023527 1087238487 /nfs/dbraw/zinc/23/84/87/1087238487.db2.gz LFMJXSPNEBCMMU-CHYADLBTSA-N 0 3 323.440 3.067 20 30 DGEDHN C[C@H](C(=O)NC/C=C/CNCc1cccc(C#N)c1)C(C)(C)C ZINC001483025010 1087239161 /nfs/dbraw/zinc/23/91/61/1087239161.db2.gz ZPZOLRVPAMNREB-LLYBFZRZSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)[C@H]1C ZINC001088722120 1087323663 /nfs/dbraw/zinc/32/36/63/1087323663.db2.gz KUEGASOHSCJAFF-ABAIWWIYSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)[C@H]1C ZINC001088748776 1087330976 /nfs/dbraw/zinc/33/09/76/1087330976.db2.gz VZEPHPYQMLINAU-IOASZLSFSA-N 0 3 322.399 3.223 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)[C@H]1C ZINC001088748777 1087331020 /nfs/dbraw/zinc/33/10/20/1087331020.db2.gz VZEPHPYQMLINAU-ZENOOKHLSA-N 0 3 322.399 3.223 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@H]1C ZINC001088758464 1087339995 /nfs/dbraw/zinc/33/99/95/1087339995.db2.gz WHGXVFAMSIYSDY-HGKSCXNLSA-N 0 3 312.457 3.119 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC001088787037 1087354373 /nfs/dbraw/zinc/35/43/73/1087354373.db2.gz NLGGWUKYZCNGSX-UZLBHIALSA-N 0 3 318.420 3.061 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)[C@H]1C ZINC001088793698 1087357785 /nfs/dbraw/zinc/35/77/85/1087357785.db2.gz OYIKNMVPUWCVPE-WBVHZDCISA-N 0 3 323.440 3.001 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C#CC(C)(C)C ZINC001483336197 1087474129 /nfs/dbraw/zinc/47/41/29/1087474129.db2.gz KVXULOGAVMJDGY-AWEZNQCLSA-N 0 3 320.864 3.326 20 30 DGEDHN C[C@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C#CC(C)(C)C ZINC001483336867 1087474699 /nfs/dbraw/zinc/47/46/99/1087474699.db2.gz XFOHLBHVBHGCLG-CABCVRRESA-N 0 3 318.436 3.373 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001483343187 1087476426 /nfs/dbraw/zinc/47/64/26/1087476426.db2.gz WIOORPCNKMVQHK-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483425384 1087498593 /nfs/dbraw/zinc/49/85/93/1087498593.db2.gz ZBORZQPYQFKDQQ-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2c(s1)CCC2 ZINC001483507463 1087517598 /nfs/dbraw/zinc/51/75/98/1087517598.db2.gz FCALGJNIGUXBJU-UHFFFAOYSA-N 0 3 312.866 3.041 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cscn2)[C@H](CC)C1 ZINC001483622128 1087560537 /nfs/dbraw/zinc/56/05/37/1087560537.db2.gz RUAGEPJVMOTTCP-GDBMZVCRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@H]1C ZINC001088905997 1087602046 /nfs/dbraw/zinc/60/20/46/1087602046.db2.gz AOQRPJNKUKLIOV-YPMHNXCESA-N 0 3 312.866 3.099 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H]1C ZINC001088953030 1087609162 /nfs/dbraw/zinc/60/91/62/1087609162.db2.gz WKCJPRUSTJAHBQ-KDOFPFPSSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc3ccc(F)cc23)[C@H]1C ZINC001089008674 1087621393 /nfs/dbraw/zinc/62/13/93/1087621393.db2.gz XQJJTIZSCICGNK-WBMJQRKESA-N 0 3 316.376 3.341 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2C(F)F)[C@H]1C ZINC001089010798 1087621459 /nfs/dbraw/zinc/62/14/59/1087621459.db2.gz UPTZFULCXYCDNY-PWSUYJOCSA-N 0 3 314.401 3.454 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001483672593 1087625267 /nfs/dbraw/zinc/62/52/67/1087625267.db2.gz HFQBYEYQMZQSRG-MRXNPFEDSA-N 0 3 303.450 3.148 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(C(C)(C)C)s2)[C@H]1C ZINC001089063232 1087628941 /nfs/dbraw/zinc/62/89/41/1087628941.db2.gz SRPJFYMTYPVMEB-OLZOCXBDSA-N 0 3 321.490 3.209 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)[C@H]1C ZINC001089070307 1087631239 /nfs/dbraw/zinc/63/12/39/1087631239.db2.gz XBPWPEHOXKLAOO-MOXGXCLJSA-N 0 3 312.457 3.046 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(-c3ccccc3)co2)[C@H]1C ZINC001089084663 1087633796 /nfs/dbraw/zinc/63/37/96/1087633796.db2.gz XYSLZZANIQQMFW-QAPCUYQASA-N 0 3 322.408 3.163 20 30 DGEDHN Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)[C@H](C)C#N)cs1 ZINC001089139593 1087648594 /nfs/dbraw/zinc/64/85/94/1087648594.db2.gz GCVQJTHWNLQKGJ-CJNGLKHVSA-N 0 3 319.474 3.029 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1coc2ccccc12 ZINC001483685904 1087652456 /nfs/dbraw/zinc/65/24/56/1087652456.db2.gz DFANPLDVNKEZGC-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2CCC)C1 ZINC001099120086 1087656258 /nfs/dbraw/zinc/65/62/58/1087656258.db2.gz ZCZAIWWXDABNHP-KSSFIOAISA-N 0 3 302.418 3.002 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2cccc(C(C)(C)C)c2)C1=O ZINC001272371958 1087685868 /nfs/dbraw/zinc/68/58/68/1087685868.db2.gz NODZUZRPAFKRIY-OAQYLSRUSA-N 0 3 324.468 3.184 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CO[C@@H](C)CC ZINC001233706289 1087689186 /nfs/dbraw/zinc/68/91/86/1087689186.db2.gz KKPUKGLBAOSTLC-IRXDYDNUSA-N 0 3 312.498 3.305 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)SC ZINC001233771472 1087696382 /nfs/dbraw/zinc/69/63/82/1087696382.db2.gz RILIITYQIXVIIC-CVEARBPZSA-N 0 3 312.523 3.407 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001272449786 1087707976 /nfs/dbraw/zinc/70/79/76/1087707976.db2.gz VQGWKYYZBMPUOM-AWEZNQCLSA-N 0 3 300.874 3.249 20 30 DGEDHN CCCCCCCCN1CCCC[C@]12CC(=O)N(C1COC1)C2 ZINC001272478489 1087723758 /nfs/dbraw/zinc/72/37/58/1087723758.db2.gz LETOGPNOXJMZBH-LJQANCHMSA-N 0 3 322.493 3.203 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCCC1(F)F ZINC001158270753 1087752550 /nfs/dbraw/zinc/75/25/50/1087752550.db2.gz NRLUUORLMDYHRS-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc3cc[nH]c3c2)CC1 ZINC001483737540 1087779756 /nfs/dbraw/zinc/77/97/56/1087779756.db2.gz HCRLGJWPYKLIJI-UHFFFAOYSA-N 0 3 311.429 3.263 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C/C=C(\C)C=C ZINC001158350589 1087788065 /nfs/dbraw/zinc/78/80/65/1087788065.db2.gz SLUWZYHKZKXYLM-WAFWZSCLSA-N 0 3 320.477 3.024 20 30 DGEDHN CCCCCCCC[C@@H](C)C(=O)NCCNCc1cncn1C ZINC001151847889 1087795483 /nfs/dbraw/zinc/79/54/83/1087795483.db2.gz BLFZMAFKVUUPTC-MRXNPFEDSA-N 0 3 322.497 3.013 20 30 DGEDHN CN1CCN(c2ccc(C3(C#N)CCC3)cn2)C2(CCCC2)C1 ZINC001158408395 1087818578 /nfs/dbraw/zinc/81/85/78/1087818578.db2.gz HRJRHRFJACPMPM-UHFFFAOYSA-N 0 3 310.445 3.091 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1c(F)cccc1F ZINC001158413722 1087822664 /nfs/dbraw/zinc/82/26/64/1087822664.db2.gz ZVLOLJABANBIHT-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1cccs1 ZINC001158541848 1087904505 /nfs/dbraw/zinc/90/45/05/1087904505.db2.gz WOOJNRDTXGNOGP-JKSUJKDBSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc([C@@H](C)CC)no1 ZINC001158565463 1087917184 /nfs/dbraw/zinc/91/71/84/1087917184.db2.gz OCZQEWVPBOCENM-LSDHHAIUSA-N 0 3 319.449 3.301 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1ccccc1F ZINC001158611532 1087938438 /nfs/dbraw/zinc/93/84/38/1087938438.db2.gz HSSHVFDMPIZEAR-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)COc1cccc(C(C)C)c1 ZINC001158653789 1087961221 /nfs/dbraw/zinc/96/12/21/1087961221.db2.gz HNTNLULEHQLIQW-UHFFFAOYSA-N 0 3 324.852 3.037 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](CC)CCC ZINC001158667817 1087965212 /nfs/dbraw/zinc/96/52/12/1087965212.db2.gz ZVCDWASOOFWVJN-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCNCc1ccc(F)cc1F ZINC001158886733 1088081890 /nfs/dbraw/zinc/08/18/90/1088081890.db2.gz DFPMXAOFZKLWJV-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C=C2CCCCC2)CC(C)(C)C1 ZINC001089334025 1088159438 /nfs/dbraw/zinc/15/94/38/1088159438.db2.gz PRKBKKKZZMCQDT-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001153187944 1088181872 /nfs/dbraw/zinc/18/18/72/1088181872.db2.gz PGDSWXWLFWMGPW-UVQBRAAOSA-N 0 3 313.445 3.241 20 30 DGEDHN CCN(Cc1ccc(C)c(F)c1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207901 1088187379 /nfs/dbraw/zinc/18/73/79/1088187379.db2.gz VXCPLNNDWCTWRT-MRXNPFEDSA-N 0 3 318.436 3.120 20 30 DGEDHN CCN(Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232931 1088192017 /nfs/dbraw/zinc/19/20/17/1088192017.db2.gz QOMHDOKNIHOCPR-CQSZACIVSA-N 0 3 318.848 3.080 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)(F)F ZINC001099235849 1088225112 /nfs/dbraw/zinc/22/51/12/1088225112.db2.gz UKGYOBKVPVIOFO-ZIAGYGMSSA-N 0 3 316.436 3.461 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2nccc(C)c2c1 ZINC001153595115 1088296517 /nfs/dbraw/zinc/29/65/17/1088296517.db2.gz WWRFMKZKYGSOAW-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)(F)F ZINC001099245272 1088309913 /nfs/dbraw/zinc/30/99/13/1088309913.db2.gz JLXZWAMDANWZJP-OLZOCXBDSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)ccc1C ZINC001272616448 1088319989 /nfs/dbraw/zinc/31/99/89/1088319989.db2.gz JYQYQGHVARRHCO-LJQANCHMSA-N 0 3 316.420 3.277 20 30 DGEDHN C=CCCC(=O)NCCC1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC001159544116 1088388551 /nfs/dbraw/zinc/38/85/51/1088388551.db2.gz HGISAWLTCPRVPL-UHFFFAOYSA-N 0 3 323.440 3.163 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc(C#N)cc1Cl ZINC001159590801 1088404685 /nfs/dbraw/zinc/40/46/85/1088404685.db2.gz YHGPUEBFTZXVQK-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(Cl)c(C#N)n1 ZINC001159589966 1088405745 /nfs/dbraw/zinc/40/57/45/1088405745.db2.gz DCHRITZYXUAUOD-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN Cc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ccc1CC#N ZINC001159597265 1088411221 /nfs/dbraw/zinc/41/12/21/1088411221.db2.gz FHKKZNHTOHRNID-ZDUSSCGKSA-N 0 3 317.396 3.329 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC1CC(c2ccccc2)C1 ZINC001154087327 1088469556 /nfs/dbraw/zinc/46/95/56/1088469556.db2.gz FRMBKLCGFJFNFI-LRYGQEGESA-N 0 3 312.457 3.030 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001272656301 1088480855 /nfs/dbraw/zinc/48/08/55/1088480855.db2.gz BGJKSEUHQGTNAM-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)CC(C)(C)C1 ZINC001089360319 1088495864 /nfs/dbraw/zinc/49/58/64/1088495864.db2.gz ONDSVZWYZMMALO-HNNXBMFYSA-N 0 3 306.425 3.024 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cscc2Cl)CC(C)(C)C1 ZINC001089411701 1088579990 /nfs/dbraw/zinc/57/99/90/1088579990.db2.gz KIYVDJWQISFTSK-GFCCVEGCSA-N 0 3 324.877 3.255 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CCC1 ZINC001483764030 1088645928 /nfs/dbraw/zinc/64/59/28/1088645928.db2.gz AKHNISPLGNHZGR-UHFFFAOYSA-N 0 3 323.440 3.043 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C(/C)CC)[C@H](OC)C1 ZINC001212237500 1088650551 /nfs/dbraw/zinc/65/05/51/1088650551.db2.gz QBEFSGXPJUEWCK-FBCVODPVSA-N 0 3 310.482 3.129 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c(Cl)cc1C ZINC001154573367 1088658150 /nfs/dbraw/zinc/65/81/50/1088658150.db2.gz ACGSBGJMBGNVLH-CQSZACIVSA-N 0 3 306.837 3.030 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089483074 1088680185 /nfs/dbraw/zinc/68/01/85/1088680185.db2.gz FYMDYMBECKINFA-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccsc2)CC(C)(C)C1 ZINC001089491506 1088684925 /nfs/dbraw/zinc/68/49/25/1088684925.db2.gz ODNVXUHWMICVPJ-GOEBONIOSA-N 0 3 318.486 3.092 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3occc3c2)CC1 ZINC001160202508 1088697502 /nfs/dbraw/zinc/69/75/02/1088697502.db2.gz MIKQPPPJZFYBAN-UHFFFAOYSA-N 0 3 310.397 3.371 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccsc2Cl)CC(C)(C)C1 ZINC001089510292 1088707681 /nfs/dbraw/zinc/70/76/81/1088707681.db2.gz QFTRZZYZERKHKJ-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2)CC(C)(C)C1 ZINC001089539287 1088723481 /nfs/dbraw/zinc/72/34/81/1088723481.db2.gz KJTBUIGBUYBLPS-FUHWJXTLSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)CC(C)(C)C1 ZINC001089542016 1088725783 /nfs/dbraw/zinc/72/57/83/1088725783.db2.gz QJRJFTWMINNGPE-OAHLLOKOSA-N 0 3 316.445 3.004 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)CC(C)(C)C1 ZINC001089562153 1088750089 /nfs/dbraw/zinc/75/00/89/1088750089.db2.gz WQDVYZZGUTYEQM-OHTSDLOESA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2sccc2CC)CC(C)(C)C1 ZINC001089565457 1088751635 /nfs/dbraw/zinc/75/16/35/1088751635.db2.gz SNUHGHFMPLMKKS-OAHLLOKOSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2coc3ccccc23)CC(C)(C)C1 ZINC001089568006 1088753792 /nfs/dbraw/zinc/75/37/92/1088753792.db2.gz AHQMRBLDHDSYQS-HNNXBMFYSA-N 0 3 324.424 3.286 20 30 DGEDHN N#Cc1c(Cl)c2ccccc2nc1Nc1ccc(CN)nc1 ZINC001160402701 1088790804 /nfs/dbraw/zinc/79/08/04/1088790804.db2.gz VXTXRBDJJCAINY-UHFFFAOYSA-N 0 3 309.760 3.357 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCCc2ccsc2)CC1 ZINC001160444807 1088806674 /nfs/dbraw/zinc/80/66/74/1088806674.db2.gz POXUVEFOXBFXJE-UHFFFAOYSA-N 0 3 318.486 3.395 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610262 1088817136 /nfs/dbraw/zinc/81/71/36/1088817136.db2.gz QWOVWCAHTPJATE-KRWDZBQOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cncs1 ZINC001089615770 1088822500 /nfs/dbraw/zinc/82/25/00/1088822500.db2.gz BVRPAGGSWPFKPG-AWEZNQCLSA-N 0 3 321.490 3.330 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001089624525 1088838848 /nfs/dbraw/zinc/83/88/48/1088838848.db2.gz FQXYGTHKCDJWQX-MWDXBVQZSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001089630916 1088852002 /nfs/dbraw/zinc/85/20/02/1088852002.db2.gz BRJLZPTVUKDWFD-CQSZACIVSA-N 0 3 321.490 3.248 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001089644012 1088878410 /nfs/dbraw/zinc/87/84/10/1088878410.db2.gz DDRJEFLJRVJHOH-XMTFNYHQSA-N 0 3 316.489 3.382 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001160749105 1088942795 /nfs/dbraw/zinc/94/27/95/1088942795.db2.gz UZHQYRLBMWRMNK-OKZBNKHCSA-N 0 3 302.462 3.137 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(F)ccc2C)CC1 ZINC001160816296 1088979993 /nfs/dbraw/zinc/97/99/93/1088979993.db2.gz OLLRBHHOXXELSL-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001155211084 1089010349 /nfs/dbraw/zinc/01/03/49/1089010349.db2.gz OCTIZFXFLITMHD-IAGOWNOFSA-N 0 3 314.473 3.202 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001089657300 1089019398 /nfs/dbraw/zinc/01/93/98/1089019398.db2.gz CLPBQBHAXPAWJA-OAHLLOKOSA-N 0 3 316.445 3.086 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001089657115 1089020494 /nfs/dbraw/zinc/02/04/94/1089020494.db2.gz SHQXECNKRAXRRC-WUJZJPHMSA-N 0 3 304.478 3.360 20 30 DGEDHN Cc1cc(Cl)nc(-n2c3ccccc3nc2[C@@H](C)N)c1C#N ZINC001155248345 1089024047 /nfs/dbraw/zinc/02/40/47/1089024047.db2.gz SHKHPSZSSWJJFW-SNVBAGLBSA-N 0 3 311.776 3.274 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc2c(c1C#N)CCCC2 ZINC001155256857 1089031948 /nfs/dbraw/zinc/03/19/48/1089031948.db2.gz SVWCBZXLGSAXEN-GFCCVEGCSA-N 0 3 317.396 3.191 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1ccccc1F ZINC001483927849 1089032296 /nfs/dbraw/zinc/03/22/96/1089032296.db2.gz QELXRAWNKBANQB-JKSUJKDBSA-N 0 3 316.420 3.271 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(-c2ccncc2)ccc1C#N ZINC001160954231 1089040159 /nfs/dbraw/zinc/04/01/59/1089040159.db2.gz SMBUSZPYNUBKKF-KRWDZBQOSA-N 0 3 319.412 3.078 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cc(-c2cccs2)ncn1 ZINC001160958086 1089040496 /nfs/dbraw/zinc/04/04/96/1089040496.db2.gz ZTEIFISRIXINFK-ZDUSSCGKSA-N 0 3 300.431 3.267 20 30 DGEDHN C=C(C)CCC(=O)NC1(C)CCN(CCc2ccns2)CC1 ZINC001483966225 1089057077 /nfs/dbraw/zinc/05/70/77/1089057077.db2.gz KAJHGJPTCRCGRN-UHFFFAOYSA-N 0 3 321.490 3.013 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001483978723 1089063434 /nfs/dbraw/zinc/06/34/34/1089063434.db2.gz FBXHVENXQFBJQY-OAHLLOKOSA-N 0 3 316.420 3.223 20 30 DGEDHN C#CCN(C(=O)CC1CCC1)C1CCN(CC=C(C)C)CC1 ZINC001483981938 1089065917 /nfs/dbraw/zinc/06/59/17/1089065917.db2.gz CFLDMPSYNAKDJM-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)c1csc(C)c1C)C1CCN(CC=C)CC1 ZINC001483985244 1089071173 /nfs/dbraw/zinc/07/11/73/1089071173.db2.gz PQZMGBQEGIEOFV-UHFFFAOYSA-N 0 3 316.470 3.091 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)CC(C)C)C1CCN(CC=C)CC1 ZINC001483988558 1089071984 /nfs/dbraw/zinc/07/19/84/1089071984.db2.gz FOTHRJQIJQEKFH-KRWDZBQOSA-N 0 3 304.478 3.171 20 30 DGEDHN C=CCN(C(=O)[C@@](C)(N)Cc1ccc(F)cc1)C1CCCCC1 ZINC001161248286 1089169457 /nfs/dbraw/zinc/16/94/57/1089169457.db2.gz XDPGXCDJZYZNMP-IBGZPJMESA-N 0 3 318.436 3.433 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001155644649 1089195954 /nfs/dbraw/zinc/19/59/54/1089195954.db2.gz HUNCVYFUCFXQSF-FCEWJHQRSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC001484108102 1089196745 /nfs/dbraw/zinc/19/67/45/1089196745.db2.gz NCIDCBFDFZWBAZ-YOEHRIQHSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001161328206 1089197923 /nfs/dbraw/zinc/19/79/23/1089197923.db2.gz NQQRWZXOAKETEN-UHFFFAOYSA-N 0 3 309.413 3.106 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001484163344 1089251603 /nfs/dbraw/zinc/25/16/03/1089251603.db2.gz PRGIAZHZSWCHKF-LJQANCHMSA-N 0 3 316.489 3.198 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)o1)c1ccccc1CC ZINC001484323888 1089335159 /nfs/dbraw/zinc/33/51/59/1089335159.db2.gz JACATFNEKURGGP-QGZVFWFLSA-N 0 3 312.413 3.397 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@]1(C)C=CCC1)c1ccccc1CC ZINC001484325034 1089336553 /nfs/dbraw/zinc/33/65/53/1089336553.db2.gz XBCBXPMITDBPPT-PZJWPPBQSA-N 0 3 324.468 3.376 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001161674783 1089338257 /nfs/dbraw/zinc/33/82/57/1089338257.db2.gz WWRUZFLVYTYHSC-KRWDZBQOSA-N 0 3 304.478 3.220 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)CCC(C)C ZINC001484398206 1089395996 /nfs/dbraw/zinc/39/59/96/1089395996.db2.gz SZEAETTVGYSVLU-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)C(C)C ZINC001484398510 1089396656 /nfs/dbraw/zinc/39/66/56/1089396656.db2.gz ASDMXORGJHBUKS-UHFFFAOYSA-N 0 3 314.473 3.310 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2occ3c2CCCC3)CC1 ZINC001161779346 1089397482 /nfs/dbraw/zinc/39/74/82/1089397482.db2.gz IINVSQZMHFLGRM-UHFFFAOYSA-N 0 3 314.429 3.096 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC1CC1 ZINC001089785794 1089422212 /nfs/dbraw/zinc/42/22/12/1089422212.db2.gz DHCRXWMJCBKWRO-NXOAAHMSSA-N 0 3 322.880 3.098 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001161817791 1089422818 /nfs/dbraw/zinc/42/28/18/1089422818.db2.gz GCUXPPOEMWJKRI-SFHVURJKSA-N 0 3 324.468 3.342 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001161919477 1089472630 /nfs/dbraw/zinc/47/26/30/1089472630.db2.gz RCXUNVUUHQPCHW-FQEVSTJZSA-N 0 3 314.473 3.285 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)COc1ccc(C(C)C)cc1 ZINC001161948133 1089488805 /nfs/dbraw/zinc/48/88/05/1089488805.db2.gz DWDVUABHHNWRCB-UHFFFAOYSA-N 0 3 324.852 3.037 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)Cc2ccccc2)cc1 ZINC001484559984 1089494787 /nfs/dbraw/zinc/49/47/87/1089494787.db2.gz WLRPYWCLTHRZPQ-KRWDZBQOSA-N 0 3 320.436 3.219 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C=C1CCC1 ZINC001089796639 1089513955 /nfs/dbraw/zinc/51/39/55/1089513955.db2.gz UYZBFSHVACKVEW-NXOAAHMSSA-N 0 3 320.864 3.018 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2cc(C)ccc2OC)CCC1 ZINC001484627254 1089550450 /nfs/dbraw/zinc/55/04/50/1089550450.db2.gz YTDRYYRRMIZMMS-UHFFFAOYSA-N 0 3 316.445 3.098 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](CC)C2CCC(C)CC2)CCC1 ZINC001484636558 1089551691 /nfs/dbraw/zinc/55/16/91/1089551691.db2.gz FWCUTDMMZCQOHK-DAWZGUTISA-N 0 3 318.505 3.491 20 30 DGEDHN CC#CCNC1(CNC(=O)c2csc3ccccc23)CCC1 ZINC001484646153 1089559725 /nfs/dbraw/zinc/55/97/25/1089559725.db2.gz MGWSMKQHMTZJMK-UHFFFAOYSA-N 0 3 312.438 3.167 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1ccc(F)cc1 ZINC001156672554 1089635469 /nfs/dbraw/zinc/63/54/69/1089635469.db2.gz SVPXBRBGLMUDEO-CCEZHUSRSA-N 0 3 304.409 3.195 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001156745757 1089676111 /nfs/dbraw/zinc/67/61/11/1089676111.db2.gz GQXSPWLWMUATSR-AEFFLSMTSA-N 0 3 300.446 3.030 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001484767664 1089676302 /nfs/dbraw/zinc/67/63/02/1089676302.db2.gz NERKNODEMDUFCQ-OAHLLOKOSA-N 0 3 320.864 3.247 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001484823558 1089703210 /nfs/dbraw/zinc/70/32/10/1089703210.db2.gz UWALCWAFMMMAGT-BEFAXECRSA-N 0 3 312.457 3.152 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1 ZINC001272691497 1089712284 /nfs/dbraw/zinc/71/22/84/1089712284.db2.gz LYMYMPRJHAVUEI-LPQFERQCSA-N 0 3 321.424 3.018 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC001272692262 1089745340 /nfs/dbraw/zinc/74/53/40/1089745340.db2.gz RYQKJWMAYUMOHW-ZTFGCOKTSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC#CC)CC2(C)C)CCCC1 ZINC001484942293 1089775314 /nfs/dbraw/zinc/77/53/14/1089775314.db2.gz CRWKVCPSXZWLEV-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001484975166 1089792171 /nfs/dbraw/zinc/79/21/71/1089792171.db2.gz CGHUWWGLYLPXKY-SJLPKXTDSA-N 0 3 315.461 3.215 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2cccc(C)c2o1 ZINC001157154069 1089845185 /nfs/dbraw/zinc/84/51/85/1089845185.db2.gz VZORBYMTBYDRGV-OAHLLOKOSA-N 0 3 312.413 3.205 20 30 DGEDHN CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001485050383 1089885447 /nfs/dbraw/zinc/88/54/47/1089885447.db2.gz YGMFVPPHIMCYFS-GOSISDBHSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)Cc1csc(C)c1 ZINC001485049354 1089885610 /nfs/dbraw/zinc/88/56/10/1089885610.db2.gz FQCDCETUKINWLS-INIZCTEOSA-N 0 3 306.475 3.446 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)C/C=C\c1ccccc1 ZINC001485053669 1089895879 /nfs/dbraw/zinc/89/58/79/1089895879.db2.gz AQTXIBOMFYQRBR-CXOXVUTBSA-N 0 3 324.468 3.426 20 30 DGEDHN C=CCCC(=O)N(CCNC[C@@H](F)CC)CCc1ccccc1 ZINC001162732263 1089912464 /nfs/dbraw/zinc/91/24/64/1089912464.db2.gz AQFPNTGEXBFCAL-SFHVURJKSA-N 0 3 320.452 3.362 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cc(CC#N)ccc1[N+](=O)[O-] ZINC001162776737 1089949345 /nfs/dbraw/zinc/94/93/45/1089949345.db2.gz BFGXZGRDKNAPJR-LLVKDONJSA-N 0 3 321.340 3.019 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162892549 1090011515 /nfs/dbraw/zinc/01/15/15/1090011515.db2.gz OLUARLWNEHJQHO-IRXDYDNUSA-N 0 3 320.452 3.075 20 30 DGEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@H](C)NC(=O)C(C)(C)C ZINC001485214814 1090034351 /nfs/dbraw/zinc/03/43/51/1090034351.db2.gz HYEFGOVPMKZISJ-KGLIPLIRSA-N 0 3 320.864 3.220 20 30 DGEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CCOCC)C2 ZINC001272699338 1090114939 /nfs/dbraw/zinc/11/49/39/1090114939.db2.gz HMXJRUMMNJTCOQ-IBGZPJMESA-N 0 3 322.493 3.226 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)CC ZINC001089849336 1090136358 /nfs/dbraw/zinc/13/63/58/1090136358.db2.gz BPLTXCJEBKKTPW-JJXSEGSLSA-N 0 3 324.896 3.344 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccsc1COC ZINC001158129185 1090188660 /nfs/dbraw/zinc/18/86/60/1090188660.db2.gz YUIQPPYABKSDCP-CQSZACIVSA-N 0 3 322.474 3.007 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(CCCc2ccsc2)C1 ZINC001485500395 1090192926 /nfs/dbraw/zinc/19/29/26/1090192926.db2.gz YUUROWVRSOFRRI-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001485505951 1090195618 /nfs/dbraw/zinc/19/56/18/1090195618.db2.gz JINFLHCKUHRDCZ-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001485520235 1090200656 /nfs/dbraw/zinc/20/06/56/1090200656.db2.gz WOZPXQDFNWOZLT-KRWDZBQOSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2oncc2C)C(C)(C)C1 ZINC001485579542 1090216567 /nfs/dbraw/zinc/21/65/67/1090216567.db2.gz PJMWNHYRQQHZRU-OAHLLOKOSA-N 0 3 319.449 3.170 20 30 DGEDHN N=C(Nc1ccc(NC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680349 1090231367 /nfs/dbraw/zinc/23/13/67/1090231367.db2.gz OXNAEEYRNCNEHX-UHFFFAOYSA-N 0 3 322.290 3.233 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc(F)c1C ZINC001485724139 1090250660 /nfs/dbraw/zinc/25/06/60/1090250660.db2.gz HLKLGWKTVTWECQ-LBPRGKRZSA-N 0 3 312.816 3.375 20 30 DGEDHN CN(C)/C=N/c1ccc(NC[C@@H]2Cc3ccccc3O2)cc1C#N ZINC001163867254 1090277137 /nfs/dbraw/zinc/27/71/37/1090277137.db2.gz WMBHZWWORNFULJ-KOWBDXASSA-N 0 3 320.396 3.195 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001163936858 1090292171 /nfs/dbraw/zinc/29/21/71/1090292171.db2.gz SGSWQYGNVZVVHB-UHFFFAOYSA-N 0 3 319.836 3.247 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1ccc(F)cc1Cl ZINC001163948398 1090294806 /nfs/dbraw/zinc/29/48/06/1090294806.db2.gz GWKPXBMOITYCDF-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCCCCCN1CCC[C@]12CCN(CC(F)F)C2=O ZINC001272702387 1090298705 /nfs/dbraw/zinc/29/87/05/1090298705.db2.gz RKMFMPQLAILDKP-MRXNPFEDSA-N 0 3 300.393 3.065 20 30 DGEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1[nH]cc(C)c1C ZINC001272706371 1090305817 /nfs/dbraw/zinc/30/58/17/1090305817.db2.gz TYBZTHHZTSUEHB-IBGZPJMESA-N 0 3 315.461 3.165 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164223262 1090377718 /nfs/dbraw/zinc/37/77/18/1090377718.db2.gz RSGNMSHEJXAFLV-CHWSQXEVSA-N 0 3 324.852 3.100 20 30 DGEDHN CC#CCCCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001164251463 1090386919 /nfs/dbraw/zinc/38/69/19/1090386919.db2.gz LWDPPEDZKJRWSM-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN CC(C)[Si](C#C[NH2+]CCCc1c[n-][nH]c1=O)(C(C)C)C(C)C ZINC001164373965 1090417105 /nfs/dbraw/zinc/41/71/05/1090417105.db2.gz FXFCRBDRVAZHTC-INIZCTEOSA-N 0 3 321.541 3.267 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)C(=C)Cl)CC1 ZINC001164694174 1090454807 /nfs/dbraw/zinc/45/48/07/1090454807.db2.gz XMWXYUJYDQYMSX-UHFFFAOYSA-N 0 3 319.276 3.394 20 30 DGEDHN C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107424395 1090435079 /nfs/dbraw/zinc/43/50/79/1090435079.db2.gz LYZGVIZNPPNVME-CNVGYVLXSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001164623292 1090449817 /nfs/dbraw/zinc/44/98/17/1090449817.db2.gz WRSCMCCZTLWRLC-DZGCQCFKSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CCC1(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)CCC1 ZINC001107536821 1090456995 /nfs/dbraw/zinc/45/69/95/1090456995.db2.gz CYZOEUCPBJZTPK-CRAIPNDOSA-N 0 3 308.441 3.063 20 30 DGEDHN N#CCN(Cc1ccccc1)c1ccc(CN2CCCC2)cn1 ZINC001165134347 1090469839 /nfs/dbraw/zinc/46/98/39/1090469839.db2.gz XIANPIYOWCHLGZ-UHFFFAOYSA-N 0 3 306.413 3.208 20 30 DGEDHN Cc1cc(N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)ncc1C#N ZINC001165203457 1090480214 /nfs/dbraw/zinc/48/02/14/1090480214.db2.gz WOXORYVTPHKMRK-SJORKVTESA-N 0 3 320.440 3.361 20 30 DGEDHN C=C(C)CCC(=O)NCCC1(CNCc2oc(C)nc2C)CC1 ZINC001165258589 1090490629 /nfs/dbraw/zinc/49/06/29/1090490629.db2.gz GQSMRICEFJKGHT-UHFFFAOYSA-N 0 3 319.449 3.024 20 30 DGEDHN C=CCCCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001165559547 1090531032 /nfs/dbraw/zinc/53/10/32/1090531032.db2.gz GQKXAWIBKLVIMP-CYBMUJFWSA-N 0 3 310.388 3.478 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCc1ccc(C)cc1 ZINC001165731588 1090542216 /nfs/dbraw/zinc/54/22/16/1090542216.db2.gz IUWVPTDBGWKNON-UHFFFAOYSA-N 0 3 308.853 3.166 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001165849060 1090553192 /nfs/dbraw/zinc/55/31/92/1090553192.db2.gz OOJVKSCJPHBLNR-RRFJBIMHSA-N 0 3 310.869 3.051 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001166060146 1090575200 /nfs/dbraw/zinc/57/52/00/1090575200.db2.gz HZPLPEYTQFCRCO-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969524 1090589494 /nfs/dbraw/zinc/58/94/94/1090589494.db2.gz PBDOSTXYEOZSCA-APWZRJJASA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001166315553 1090595761 /nfs/dbraw/zinc/59/57/61/1090595761.db2.gz KVWSVSNHYDVGJA-MUJYYYPQSA-N 0 3 324.896 3.441 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](OC)C1 ZINC001212418841 1090637680 /nfs/dbraw/zinc/63/76/80/1090637680.db2.gz OHTBYFDHEAYZNC-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCC1(CNCc2ccns2)CC1 ZINC001167018183 1090696296 /nfs/dbraw/zinc/69/62/96/1090696296.db2.gz DPJLXJHWUCCRRB-MRXNPFEDSA-N 0 3 321.490 3.122 20 30 DGEDHN C[C@H](CN(C)C(=O)C#CC(C)(C)C)NCc1ccccc1Cl ZINC001485873504 1090717553 /nfs/dbraw/zinc/71/75/53/1090717553.db2.gz OCTNIVVTTLSQDM-CQSZACIVSA-N 0 3 320.864 3.326 20 30 DGEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1ccccc1F)CC2 ZINC001203346552 1090722908 /nfs/dbraw/zinc/72/29/08/1090722908.db2.gz XNXMXQNERWLDBX-UHFFFAOYSA-N 0 3 318.392 3.046 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2cccnc2C)CC1 ZINC001485919438 1090727072 /nfs/dbraw/zinc/72/70/72/1090727072.db2.gz MJDAEIIGMQNQFE-OAHLLOKOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001485920706 1090728116 /nfs/dbraw/zinc/72/81/16/1090728116.db2.gz WAKILCPVVWAKFM-GUYCJALGSA-N 0 3 323.868 3.274 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203561143 1090757163 /nfs/dbraw/zinc/75/71/63/1090757163.db2.gz MGUWCXBPTKMTJF-GOSISDBHSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203561143 1090757166 /nfs/dbraw/zinc/75/71/66/1090757166.db2.gz MGUWCXBPTKMTJF-GOSISDBHSA-N 0 3 308.381 3.307 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC001486130426 1090758071 /nfs/dbraw/zinc/75/80/71/1090758071.db2.gz NUEQPOULOAPZLZ-XJKSGUPXSA-N 0 3 312.438 3.117 20 30 DGEDHN CC(C)(C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001203631147 1090769491 /nfs/dbraw/zinc/76/94/91/1090769491.db2.gz KVTGESFGKSFYLY-ROUUACIJSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]1C ZINC001486170528 1090772791 /nfs/dbraw/zinc/77/27/91/1090772791.db2.gz JAZVRUGNEDYWHZ-CVEARBPZSA-N 0 3 322.493 3.317 20 30 DGEDHN C=CCOC(=O)N1CCC2(CN(Cc3ccccc3C)C2)CC1 ZINC001203700468 1090784024 /nfs/dbraw/zinc/78/40/24/1090784024.db2.gz ZLWKLGFCBOAXIM-UHFFFAOYSA-N 0 3 314.429 3.215 20 30 DGEDHN N#Cc1cccc(CN2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC001203757612 1090797967 /nfs/dbraw/zinc/79/79/67/1090797967.db2.gz PJZQBGWMYLEIGQ-UHFFFAOYSA-N 0 3 317.392 3.044 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C(C)C ZINC001486375416 1090813260 /nfs/dbraw/zinc/81/32/60/1090813260.db2.gz HCCOBFVASNUGKH-HZPDHXFCSA-N 0 3 304.434 3.128 20 30 DGEDHN C#CCCN(C)CCN(C(=O)Cc1cc(C)ccc1C)C(C)C ZINC001486375179 1090814025 /nfs/dbraw/zinc/81/40/25/1090814025.db2.gz XEJZJMKGVQOTAU-UHFFFAOYSA-N 0 3 314.473 3.038 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1sc(C)cc1C)C(C)C ZINC001486379098 1090815585 /nfs/dbraw/zinc/81/55/85/1090815585.db2.gz IFFJJKZDTFLOCM-UHFFFAOYSA-N 0 3 308.491 3.262 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3cccc(O)c3)C2)cc1 ZINC001203866903 1090824037 /nfs/dbraw/zinc/82/40/37/1090824037.db2.gz FXHZPPUVGPGXDR-LJQANCHMSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccc(CN(Cc2cccnc2)C2CCOCC2)cc1 ZINC001203904125 1090834083 /nfs/dbraw/zinc/83/40/83/1090834083.db2.gz XEJDDWHIKGQFJN-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN CCN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001203904754 1090834161 /nfs/dbraw/zinc/83/41/61/1090834161.db2.gz FUSMTEQWTHBDOG-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN CC#CCCCC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001486474204 1090848914 /nfs/dbraw/zinc/84/89/14/1090848914.db2.gz VAKZQJYOXZMEHR-UHFFFAOYSA-N 0 3 317.260 3.078 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001276440386 1090900624 /nfs/dbraw/zinc/90/06/24/1090900624.db2.gz VYOGMPJKOQGWGA-GFCCVEGCSA-N 0 3 314.420 3.071 20 30 DGEDHN C#CCN(Cc1ccc(/C=C/C(=O)OC)o1)C1CCCCC1 ZINC001204496396 1090983659 /nfs/dbraw/zinc/98/36/59/1090983659.db2.gz GLTANONEQULQSZ-VAWYXSNFSA-N 0 3 301.386 3.234 20 30 DGEDHN C#CCN1CC[C@]2(CCCN(Cc3cc(C)cc(C)c3)CC2)C1=O ZINC001273005966 1090983875 /nfs/dbraw/zinc/98/38/75/1090983875.db2.gz MVHGREXMTGZPME-OAQYLSRUSA-N 0 3 324.468 3.141 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(C)cc(C)c2)C1=O ZINC001273006121 1090983920 /nfs/dbraw/zinc/98/39/20/1090983920.db2.gz PBZMZUQUWDNOQU-FQEVSTJZSA-N 0 3 312.457 3.446 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccccc3C#N)c2)CC1 ZINC001204538265 1090995218 /nfs/dbraw/zinc/99/52/18/1090995218.db2.gz YBLGAJNQMHDFPT-UHFFFAOYSA-N 0 3 306.413 3.049 20 30 DGEDHN CC[C@H](C)[C@@H](CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC001204750111 1091030043 /nfs/dbraw/zinc/03/00/43/1091030043.db2.gz WAUBDZSHZXJQIR-MAUKXSAKSA-N 0 3 304.434 3.068 20 30 DGEDHN Cc1cccc(CN2CCN(c3cccc(C#N)c3)CC2)c1C ZINC001205096236 1091101269 /nfs/dbraw/zinc/10/12/69/1091101269.db2.gz YPZULDNAKHKQST-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@H]2CCCN2CC(C)C)c1 ZINC001292038588 1091128455 /nfs/dbraw/zinc/12/84/55/1091128455.db2.gz IACLJWNYUHFCMX-QGZVFWFLSA-N 0 3 302.418 3.310 20 30 DGEDHN C#CCOc1ccc(CN2CCCC(F)(F)CC2)cc1OC ZINC001138342042 1091146750 /nfs/dbraw/zinc/14/67/50/1091146750.db2.gz XFEOEDZZVOUJEZ-UHFFFAOYSA-N 0 3 309.356 3.328 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108148865 1091153786 /nfs/dbraw/zinc/15/37/86/1091153786.db2.gz OZFKWRBMQUACJS-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@H](CCCCNCc1ccccc1C#N)NC(=O)C(C)(C)F ZINC001168758305 1091172938 /nfs/dbraw/zinc/17/29/38/1091172938.db2.gz DNWJEPULLVFCHW-CQSZACIVSA-N 0 3 319.424 3.071 20 30 DGEDHN Cc1c(CN2CCC3SC(=O)C=C3C2)[nH]c2ccc(F)cc12 ZINC001138412586 1091173424 /nfs/dbraw/zinc/17/34/24/1091173424.db2.gz TVQZFKVBKQACFB-MRXNPFEDSA-N 0 3 316.401 3.390 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001205404606 1091212595 /nfs/dbraw/zinc/21/25/95/1091212595.db2.gz HTJMOMXVKSWKTJ-NTEUORMPSA-N 0 3 319.276 3.490 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](C(=O)c3ccccc3)C2)cc1 ZINC001138560215 1091228439 /nfs/dbraw/zinc/22/84/39/1091228439.db2.gz LWUPMDQPCDRPIQ-IBGZPJMESA-N 0 3 319.404 3.403 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(CC(=O)OCC)CC2)c1[O-] ZINC001138626817 1091260284 /nfs/dbraw/zinc/26/02/84/1091260284.db2.gz PITAXGBFESZUFJ-UHFFFAOYSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](CC(=O)OCC)C2)c1[O-] ZINC001138625791 1091261072 /nfs/dbraw/zinc/26/10/72/1091261072.db2.gz SVKLRLTWXLQMHI-HNNXBMFYSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OCC)C2)c1[O-] ZINC001138625791 1091261083 /nfs/dbraw/zinc/26/10/83/1091261083.db2.gz SVKLRLTWXLQMHI-HNNXBMFYSA-N 0 3 317.429 3.286 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1[O-] ZINC001138624273 1091261145 /nfs/dbraw/zinc/26/11/45/1091261145.db2.gz AIAZDUNTWIPZPU-UHFFFAOYSA-N 0 3 315.335 3.010 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(c3noc(C)n3)CC2)c1[O-] ZINC001138629061 1091261540 /nfs/dbraw/zinc/26/15/40/1091261540.db2.gz MSSHTRCCVAVAIY-UHFFFAOYSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCN(c3cccc(C)n3)CC2)c1[O-] ZINC001138624784 1091261676 /nfs/dbraw/zinc/26/16/76/1091261676.db2.gz URGUAXSIBAFFOL-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=CCc1cccc(CN2CCN(c3cccc(C)n3)CC2)c1O ZINC001138624784 1091261684 /nfs/dbraw/zinc/26/16/84/1091261684.db2.gz URGUAXSIBAFFOL-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC(N2CC(F)C2)CC1 ZINC001138665802 1091280311 /nfs/dbraw/zinc/28/03/11/1091280311.db2.gz WMUBUHGRIONONG-UHFFFAOYSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC(N2CCCCC2)C1 ZINC001138665537 1091281661 /nfs/dbraw/zinc/28/16/61/1091281661.db2.gz PAQXRYTUKHHQBW-UHFFFAOYSA-N 0 3 300.446 3.312 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001273204932 1091413735 /nfs/dbraw/zinc/41/37/35/1091413735.db2.gz PADQTGVDOQSVIG-GDBMZVCRSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCOc1ccccc1CN1CCCC[C@@H](C(=O)OCC)C1 ZINC001139030636 1091424415 /nfs/dbraw/zinc/42/44/15/1091424415.db2.gz RGNXDCYRMOKRHO-QGZVFWFLSA-N 0 3 317.429 3.417 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)cc(F)c2OC)no1 ZINC001206094587 1091489648 /nfs/dbraw/zinc/48/96/48/1091489648.db2.gz PWGIKTYTFCZUPG-UHFFFAOYSA-N 0 3 321.327 3.132 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001206100472 1091491968 /nfs/dbraw/zinc/49/19/68/1091491968.db2.gz QAUVUMHGSRQVFL-UHFFFAOYSA-N 0 3 310.401 3.119 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cscc3Cl)[C@@H]2C1 ZINC001084432147 1091491760 /nfs/dbraw/zinc/49/17/60/1091491760.db2.gz CYWWRAQPHODLQR-BXUZGUMPSA-N 0 3 310.850 3.124 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(CCCC)cc3)[C@@H]2C1 ZINC001084500582 1091495084 /nfs/dbraw/zinc/49/50/84/1091495084.db2.gz ULLIIYHPSGCVLH-WOJBJXKFSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)CC1 ZINC001084634231 1091521866 /nfs/dbraw/zinc/52/18/66/1091521866.db2.gz HKUHLIVRAUFCGE-WOJBJXKFSA-N 0 3 324.468 3.466 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)C1 ZINC001084645996 1091525335 /nfs/dbraw/zinc/52/53/35/1091525335.db2.gz ORSXAOHXQAIAIP-QZTJIDSGSA-N 0 3 314.473 3.376 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)[C@@H]2C1 ZINC001084680324 1091534357 /nfs/dbraw/zinc/53/43/57/1091534357.db2.gz JXWUVCUDKCTMCY-BRSBDYLESA-N 0 3 316.489 3.312 20 30 DGEDHN CC(C)N1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139400218 1091545404 /nfs/dbraw/zinc/54/54/04/1091545404.db2.gz KFMZJLPWOJUZQK-UHFFFAOYSA-N 0 3 320.440 3.146 20 30 DGEDHN CCc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001202934799 1091557673 /nfs/dbraw/zinc/55/76/73/1091557673.db2.gz IBIZBPKGIZSHNL-AWEZNQCLSA-N 0 3 302.399 3.055 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(F)cccc3Cl)[C@@H]2C1 ZINC001084791873 1091571377 /nfs/dbraw/zinc/57/13/77/1091571377.db2.gz ZKBRMGVZBTXDBV-IUODEOHRSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3oc4ccccc4c3C)[C@@H]2C1 ZINC001084813743 1091581096 /nfs/dbraw/zinc/58/10/96/1091581096.db2.gz UEZLQKLPLBSPOB-NVXWUHKLSA-N 0 3 324.424 3.464 20 30 DGEDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC001139530398 1091589355 /nfs/dbraw/zinc/58/93/55/1091589355.db2.gz CZGNRWGEKGDNKW-ZFWWWQNUSA-N 0 3 318.392 3.109 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C[C@@H]21 ZINC001084947378 1091621840 /nfs/dbraw/zinc/62/18/40/1091621840.db2.gz RHGGSZHCWRUFPE-QYZOEREBSA-N 0 3 314.473 3.069 20 30 DGEDHN N#Cc1c(Cl)cccc1CN1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001139692722 1091645196 /nfs/dbraw/zinc/64/51/96/1091645196.db2.gz GWLMLXDYJXDHBO-IRXDYDNUSA-N 0 3 321.827 3.220 20 30 DGEDHN Cc1nc([C@H]2CCCN(Cc3c[nH]c4c3cccc4C#N)C2)no1 ZINC001139701343 1091646119 /nfs/dbraw/zinc/64/61/19/1091646119.db2.gz FAVJGHQHXZJBCN-AWEZNQCLSA-N 0 3 321.384 3.111 20 30 DGEDHN N#Cc1cccc2c(CN(CCO)Cc3ccccc3)c[nH]c21 ZINC001139701854 1091646246 /nfs/dbraw/zinc/64/62/46/1091646246.db2.gz QMDNAHZERSGBRW-UHFFFAOYSA-N 0 3 305.381 3.034 20 30 DGEDHN N#Cc1cccc2c(CN3CCC4(CCCOC4)CC3)c[nH]c21 ZINC001139707227 1091647800 /nfs/dbraw/zinc/64/78/00/1091647800.db2.gz SSOMNCQMKFELBX-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)C3CCCCC3)C[C@@H]21 ZINC001085055366 1091652102 /nfs/dbraw/zinc/65/21/02/1091652102.db2.gz DXGNUIQZQFPRGY-QRQLOZEOSA-N 0 3 316.489 3.149 20 30 DGEDHN COC(=O)c1cccc2[nH]cc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c21 ZINC001139721394 1091652500 /nfs/dbraw/zinc/65/25/00/1091652500.db2.gz GEFZZNJAJKHFFW-XMQYKBBCSA-N 0 3 323.396 3.221 20 30 DGEDHN Cc1ccc(CN2CCN(C)[C@@H](c3ccccc3)C2)cc1C#N ZINC001139724493 1091654268 /nfs/dbraw/zinc/65/42/68/1091654268.db2.gz UHOKPCDENRSQBA-HXUWFJFHSA-N 0 3 305.425 3.355 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](Oc3ccncc3C)C2)cc1C#N ZINC001139727447 1091655799 /nfs/dbraw/zinc/65/57/99/1091655799.db2.gz REUSDYCHISJBIP-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN C=CCn1cc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cn1 ZINC001139766641 1091667786 /nfs/dbraw/zinc/66/77/86/1091667786.db2.gz RZYMKWUIGVQRAM-MSOLQXFVSA-N 0 3 324.472 3.164 20 30 DGEDHN C#CC1CCN(Cc2c3cc(C)ccc3[nH]c2C(=O)OCC)CC1 ZINC001139865665 1091695811 /nfs/dbraw/zinc/69/58/11/1091695811.db2.gz AUGFEGLLWLZMQO-UHFFFAOYSA-N 0 3 324.424 3.498 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)COc1cccc(C(C)C)c1 ZINC001139865513 1091695921 /nfs/dbraw/zinc/69/59/21/1091695921.db2.gz JNJHWHCXVHPANQ-UHFFFAOYSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1coc2ccc(C)cc12 ZINC001139870065 1091696065 /nfs/dbraw/zinc/69/60/65/1091696065.db2.gz XIVUWQHJACAMPF-UHFFFAOYSA-N 0 3 314.429 3.250 20 30 DGEDHN CC1(C)OCCC12CCN(Cc1cc(F)cc(C#N)c1)CC2 ZINC001139878602 1091700144 /nfs/dbraw/zinc/70/01/44/1091700144.db2.gz PRTBVMCAWZJZOT-UHFFFAOYSA-N 0 3 302.393 3.478 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202986500 1091720969 /nfs/dbraw/zinc/72/09/69/1091720969.db2.gz IYKCNWZTFDREAE-LSDHHAIUSA-N 0 3 319.474 3.016 20 30 DGEDHN COc1c(Cl)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001140059271 1091755076 /nfs/dbraw/zinc/75/50/76/1091755076.db2.gz BYKYVBZKZBRZBT-ZDUSSCGKSA-N 0 3 309.818 3.123 20 30 DGEDHN CN(Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc2c(c1)OCO2 ZINC001140115635 1091772989 /nfs/dbraw/zinc/77/29/89/1091772989.db2.gz IMCLOLSGJSRPFR-UHFFFAOYSA-N 0 3 319.364 3.400 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(C[C@H](F)CO4)CC3)c2c1 ZINC001140115611 1091773206 /nfs/dbraw/zinc/77/32/06/1091773206.db2.gz IGKGDAKERWVTAE-HNNXBMFYSA-N 0 3 313.376 3.133 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c(F)c1 ZINC001140141651 1091783543 /nfs/dbraw/zinc/78/35/43/1091783543.db2.gz ZVJJLZFMQBZJHN-ZWKOTPCHSA-N 0 3 319.399 3.096 20 30 DGEDHN C=CCCOCCCCC(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1C ZINC001206966123 1091809402 /nfs/dbraw/zinc/80/94/02/1091809402.db2.gz AFHCBSHYJWXINK-QZTJIDSGSA-N 0 3 322.493 3.152 20 30 DGEDHN Cn1cc(CN2CCC(n3ncc4ccccc43)CC2)cc1C#N ZINC001207108536 1091845525 /nfs/dbraw/zinc/84/55/25/1091845525.db2.gz FCSJXBFADHQHIE-UHFFFAOYSA-N 0 3 319.412 3.084 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2scnc21 ZINC001085594753 1091846912 /nfs/dbraw/zinc/84/69/12/1091846912.db2.gz PBBYAHNYPLCNAS-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cscc1C(F)F ZINC001085599039 1091848132 /nfs/dbraw/zinc/84/81/32/1091848132.db2.gz GXBZPEORRABYOQ-NSHDSACASA-N 0 3 314.401 3.408 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC001085614797 1091859201 /nfs/dbraw/zinc/85/92/01/1091859201.db2.gz WPPTXYMGIPTYET-OAHLLOKOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001207158668 1091868244 /nfs/dbraw/zinc/86/82/44/1091868244.db2.gz XALQHVXVXYSFBM-NVXWUHKLSA-N 0 3 300.446 3.225 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1SCC ZINC001297379039 1091872417 /nfs/dbraw/zinc/87/24/17/1091872417.db2.gz MKEQUQQZDCOJAE-UHFFFAOYSA-N 0 3 306.475 3.379 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001297379451 1091872640 /nfs/dbraw/zinc/87/26/40/1091872640.db2.gz NPYFRPHHHSUJAS-INIZCTEOSA-N 0 3 318.461 3.444 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1c[nH]c2ccccc12 ZINC001297379617 1091872699 /nfs/dbraw/zinc/87/26/99/1091872699.db2.gz QDKRXMHOZRAXPA-UHFFFAOYSA-N 0 3 313.445 3.067 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085699975 1091886214 /nfs/dbraw/zinc/88/62/14/1091886214.db2.gz BCZFPEOUXBFOSC-KRWDZBQOSA-N 0 3 313.445 3.072 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001085701363 1091886534 /nfs/dbraw/zinc/88/65/34/1091886534.db2.gz NKOVPILUPIIQQB-INIZCTEOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709192 1091890187 /nfs/dbraw/zinc/89/01/87/1091890187.db2.gz BFAVIBMATDASAA-MRXNPFEDSA-N 0 3 304.434 3.317 20 30 DGEDHN COc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)nc3)C2)cc1 ZINC001140546190 1091904489 /nfs/dbraw/zinc/90/44/89/1091904489.db2.gz XRWJKGBBNVBDPU-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001085741255 1091908895 /nfs/dbraw/zinc/90/88/95/1091908895.db2.gz LAZCLMZPMADJOY-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)cc1 ZINC001085757639 1091915626 /nfs/dbraw/zinc/91/56/26/1091915626.db2.gz NDQDMJNKVZAKFK-HXUWFJFHSA-N 0 3 324.468 3.395 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(F)ccc(C)c1F ZINC001085799905 1091944330 /nfs/dbraw/zinc/94/43/30/1091944330.db2.gz FSEAZUGOFJAWAB-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CN1CCC[C@@H](CC#N)C1 ZINC001207374296 1091944616 /nfs/dbraw/zinc/94/46/16/1091944616.db2.gz MBNPALRTAZGVRB-GJZGRUSLSA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001085814818 1091951707 /nfs/dbraw/zinc/95/17/07/1091951707.db2.gz HFYMQGZRRZJJNS-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1cc(C#N)ccc1C ZINC001297733406 1091957342 /nfs/dbraw/zinc/95/73/42/1091957342.db2.gz LITHEEUHZHWXPI-UHFFFAOYSA-N 0 3 313.445 3.205 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001085838312 1091960975 /nfs/dbraw/zinc/96/09/75/1091960975.db2.gz FXMFITFRQGKUJG-HNNXBMFYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCC(F)(F)CC1 ZINC001085840049 1091965427 /nfs/dbraw/zinc/96/54/27/1091965427.db2.gz YSOLQNYGJVVHON-OAHLLOKOSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1C ZINC001085879170 1091995016 /nfs/dbraw/zinc/99/50/16/1091995016.db2.gz YWMSCPVEFDGUIJ-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2scnc2c1 ZINC001085904598 1092005124 /nfs/dbraw/zinc/00/51/24/1092005124.db2.gz ITIXDSHIYKBTAF-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1oc(CCC)nc1C ZINC001085926441 1092016351 /nfs/dbraw/zinc/01/63/51/1092016351.db2.gz XNLJYGJSSIXSIW-HNNXBMFYSA-N 0 3 319.449 3.048 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(CC(C)C)c[nH]1 ZINC001085929284 1092019260 /nfs/dbraw/zinc/01/92/60/1092019260.db2.gz SXTVAYVUEFWLFN-KRWDZBQOSA-N 0 3 317.477 3.326 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC001085964376 1092064194 /nfs/dbraw/zinc/06/41/94/1092064194.db2.gz GYIYMMJILOOWLQ-KRWDZBQOSA-N 0 3 317.477 3.408 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1sccc1CC ZINC001085985827 1092075514 /nfs/dbraw/zinc/07/55/14/1092075514.db2.gz NYHUXSQVVCCFCS-HNNXBMFYSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001085990541 1092076787 /nfs/dbraw/zinc/07/67/87/1092076787.db2.gz SDNYSEXSLBSHAC-PELRDEGISA-N 0 3 324.468 3.217 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc2cc(Cl)ccc2s1 ZINC001298677442 1092087960 /nfs/dbraw/zinc/08/79/60/1092087960.db2.gz WMBYEBQXGBSCQQ-UHFFFAOYSA-N 0 3 320.845 3.240 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001207909018 1092136854 /nfs/dbraw/zinc/13/68/54/1092136854.db2.gz MKKHJRGLMBWSCW-HOTGVXAUSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(F)ccc2CC)C1 ZINC001086137226 1092139225 /nfs/dbraw/zinc/13/92/25/1092139225.db2.gz VQWMCPNGRGGCKR-JNSHFYNHSA-N 0 3 324.827 3.239 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001086159306 1092145457 /nfs/dbraw/zinc/14/54/57/1092145457.db2.gz PESFSKXIWVLXOI-FRRDWIJNSA-N 0 3 320.811 3.049 20 30 DGEDHN CN(CCN(C)Cc1ccc(F)cc1C#N)Cc1ccccc1 ZINC001141167584 1092159044 /nfs/dbraw/zinc/15/90/44/1092159044.db2.gz QCJVYEVYKLNIMZ-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN Cc1nc(N[C@H]2CNCc3ccsc32)c(Cl)cc1C#N ZINC001155570704 1092192240 /nfs/dbraw/zinc/19/22/40/1092192240.db2.gz OWUMZPPGPHFRPJ-LBPRGKRZSA-N 0 3 304.806 3.233 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cnccc2C)CCCC1 ZINC001491700266 1092202672 /nfs/dbraw/zinc/20/26/72/1092202672.db2.gz XCJHSCLJJSKBNS-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001086365019 1092223536 /nfs/dbraw/zinc/22/35/36/1092223536.db2.gz BMVLCYZCWPEARV-FMKGYKFTSA-N 0 3 322.836 3.254 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001208197874 1092259016 /nfs/dbraw/zinc/25/90/16/1092259016.db2.gz NFWSYNBTOBBZMN-OALUTQOASA-N 0 3 319.420 3.194 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001086461082 1092261103 /nfs/dbraw/zinc/26/11/03/1092261103.db2.gz YCVDARGBBUHARO-CTYIDZIISA-N 0 3 306.837 3.100 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC001491873360 1092265820 /nfs/dbraw/zinc/26/58/20/1092265820.db2.gz FFYPUDCSLLWLSS-JKSUJKDBSA-N 0 3 319.449 3.165 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001491882606 1092273385 /nfs/dbraw/zinc/27/33/85/1092273385.db2.gz OWXBUQKKAOQLCJ-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN O=C1C=C2CN(Cc3cc4cccnc4cc3F)CCC2S1 ZINC001141624878 1092297302 /nfs/dbraw/zinc/29/73/02/1092297302.db2.gz JVSBOPSRLPPOCA-INIZCTEOSA-N 0 3 314.385 3.148 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001086521649 1092317526 /nfs/dbraw/zinc/31/75/26/1092317526.db2.gz YEZBNDAXWQSGQJ-QBYUYEEZSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001491959627 1092324412 /nfs/dbraw/zinc/32/44/12/1092324412.db2.gz NSELIJHGXISHHI-ZWKOTPCHSA-N 0 3 322.468 3.241 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001491960855 1092325863 /nfs/dbraw/zinc/32/58/63/1092325863.db2.gz YRBPHWJRWHKIAT-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001491961897 1092329525 /nfs/dbraw/zinc/32/95/25/1092329525.db2.gz BLTLCISTYIOTBK-SFHVURJKSA-N 0 3 320.436 3.400 20 30 DGEDHN C#CCCCC(=O)NCC[C@@H](C)NCc1cccc(F)c1Cl ZINC001492014184 1092352011 /nfs/dbraw/zinc/35/20/11/1092352011.db2.gz UTDGPTULPJHMAT-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cscc1Cl ZINC001492039648 1092357736 /nfs/dbraw/zinc/35/77/36/1092357736.db2.gz JLQAATISOBTEJH-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1nc(C)c(C)s1 ZINC001492067688 1092368046 /nfs/dbraw/zinc/36/80/46/1092368046.db2.gz LKVMJMINSTUTNC-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C)cc(F)cc1C ZINC001492067300 1092368182 /nfs/dbraw/zinc/36/81/82/1092368182.db2.gz PSXGDNWVTJVSFN-CYBMUJFWSA-N 0 3 312.816 3.293 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2nc(C)cs2)CCC1 ZINC001492077509 1092372890 /nfs/dbraw/zinc/37/28/90/1092372890.db2.gz DSQGKFVHTHOILA-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN CCCC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001168805291 1092373297 /nfs/dbraw/zinc/37/32/97/1092373297.db2.gz JEELSRDPVCLMBJ-HNNXBMFYSA-N 0 3 301.434 3.123 20 30 DGEDHN CCN(CCN1[C@@H]2CC[C@H]1C[C@H](C#N)C2)C(=O)OC(C)(C)C ZINC001208579591 1092405758 /nfs/dbraw/zinc/40/57/58/1092405758.db2.gz XHXGDHFSLJWUOR-QKDCVEJESA-N 0 3 307.438 3.010 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 ZINC001168925429 1092426079 /nfs/dbraw/zinc/42/60/79/1092426079.db2.gz OVWWNIWYMCPKCA-TXPKVOOTSA-N 0 3 315.461 3.397 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001492263446 1092463493 /nfs/dbraw/zinc/46/34/93/1092463493.db2.gz ZUGVOZDMBSEVCI-UHFFFAOYSA-N 0 3 314.473 3.326 20 30 DGEDHN CC[C@@H](C)CCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001168963782 1092466642 /nfs/dbraw/zinc/46/66/42/1092466642.db2.gz YPGUXMOYYYFZEK-CQSZACIVSA-N 0 3 319.424 3.120 20 30 DGEDHN CC[C@@H](C)CC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001276584575 1092480834 /nfs/dbraw/zinc/48/08/34/1092480834.db2.gz XJKQAXZGCBTUOS-MLGOLLRUSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)Cc1ccc(C2CCC2)cc1 ZINC001492358797 1092483410 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C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001209184128 1092684556 /nfs/dbraw/zinc/68/45/56/1092684556.db2.gz QUJCGPTZJKLRSN-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001276625469 1092704599 /nfs/dbraw/zinc/70/45/99/1092704599.db2.gz YSCINDCRBAHVQM-AEFFLSMTSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001149780373 1092730251 /nfs/dbraw/zinc/73/02/51/1092730251.db2.gz FVAMCXDGNKFJMI-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2c(C)nsc2C)C1 ZINC001209335909 1092738406 /nfs/dbraw/zinc/73/84/06/1092738406.db2.gz SCGXRGSSOZLECL-HNNXBMFYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=CCCCCCCCCN1CC2(C1)CCOC[C@H]2C(=O)OC ZINC001209445206 1092777006 /nfs/dbraw/zinc/77/70/06/1092777006.db2.gz HGNCFOXCPIIHGB-KRWDZBQOSA-N 0 3 323.477 3.415 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCC2CCCCC2)C1 ZINC001150669147 1092806640 /nfs/dbraw/zinc/80/66/40/1092806640.db2.gz DHCXMASOXSXMKW-SFHVURJKSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001209530729 1092811770 /nfs/dbraw/zinc/81/17/70/1092811770.db2.gz PJVHPRIGBFVLOC-IIDMSEBBSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C(C)=C2CCC2)CC1 ZINC001151108519 1092865517 /nfs/dbraw/zinc/86/55/17/1092865517.db2.gz VOVSRFGRDHSBBR-UHFFFAOYSA-N 0 3 320.477 3.050 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)CC2(C)CCCC2)CC1 ZINC001151115026 1092867578 /nfs/dbraw/zinc/86/75/78/1092867578.db2.gz MXABJCWPFYBGKN-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)CCCCC(C)C)CC1 ZINC001151374816 1092890507 /nfs/dbraw/zinc/89/05/07/1092890507.db2.gz OGTVWWNAAKCDJP-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209875475 1092960481 /nfs/dbraw/zinc/96/04/81/1092960481.db2.gz PWJKCYWHBFTAOF-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN CCN1CCN(Cc2ccc(Nc3ccccc3C#N)cc2)CC1 ZINC001210739449 1093265931 /nfs/dbraw/zinc/26/59/31/1093265931.db2.gz SEGNLXGILDJWPU-UHFFFAOYSA-N 0 3 320.440 3.439 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001211235046 1093429725 /nfs/dbraw/zinc/42/97/25/1093429725.db2.gz GKXGPGIVBAQUMG-XOKHGSTOSA-N 0 3 320.864 3.456 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCc2ccccc2)C1 ZINC001211422704 1093489357 /nfs/dbraw/zinc/48/93/57/1093489357.db2.gz QNCPGJPWVVDZRP-ZHALLVOQSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(F)c2OC)no1 ZINC001211436119 1093494281 /nfs/dbraw/zinc/49/42/81/1093494281.db2.gz BHAOZIXQIXVZOR-UHFFFAOYSA-N 0 3 317.364 3.383 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cc(OC)ccc2F)no1 ZINC001211436404 1093494328 /nfs/dbraw/zinc/49/43/28/1093494328.db2.gz JXPSUNHQCMHPDK-UHFFFAOYSA-N 0 3 317.364 3.383 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001211471396 1093502741 /nfs/dbraw/zinc/50/27/41/1093502741.db2.gz VQLGZHFDAXQTOI-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213263005 1093552867 /nfs/dbraw/zinc/55/28/67/1093552867.db2.gz RKXDFMDLGSERQE-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213322789 1093566014 /nfs/dbraw/zinc/56/60/14/1093566014.db2.gz RHXAEJAEADNOOA-PKILHVJBSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCCCC)C[C@H]2OC)CCC1 ZINC001213397766 1093580107 /nfs/dbraw/zinc/58/01/07/1093580107.db2.gz XMGKWEUMKPJEDA-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CC[C@H](C)CC)[C@H](OC)C1 ZINC001213612383 1093624908 /nfs/dbraw/zinc/62/49/08/1093624908.db2.gz ZUCDFEADQHTDBE-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1CN(CCCC)C[C@H]1OC ZINC001213771051 1093657907 /nfs/dbraw/zinc/65/79/07/1093657907.db2.gz QYZSVOILOWGBCP-IAGOWNOFSA-N 0 3 312.498 3.353 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001214592417 1093810241 /nfs/dbraw/zinc/81/02/41/1093810241.db2.gz UCRMESKMBQWLIB-UHFFFAOYSA-N 0 3 301.434 3.061 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001215427692 1093981588 /nfs/dbraw/zinc/98/15/88/1093981588.db2.gz JBUMVNMPYBYCEM-CXAGYDPISA-N 0 3 322.399 3.258 20 30 DGEDHN Cn1cnc(Nc2ccc(CN3CCCCC3)c(F)c2)c1C#N ZINC001215711269 1094038293 /nfs/dbraw/zinc/03/82/93/1094038293.db2.gz KHZSTSHIPUMEFE-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN C[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001216196889 1094143438 /nfs/dbraw/zinc/14/34/38/1094143438.db2.gz GQSLDPIGSNMLTC-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN CC(C)Cc1ccc(CNCc2ccc(OCC#N)cc2)cn1 ZINC001120249544 1094394530 /nfs/dbraw/zinc/39/45/30/1094394530.db2.gz MTESCIICKYVMPQ-UHFFFAOYSA-N 0 3 309.413 3.472 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nccs1 ZINC001135185026 1094434972 /nfs/dbraw/zinc/43/49/72/1094434972.db2.gz SGYMGSUYYSXAPL-QWHCGFSZSA-N 0 3 309.479 3.118 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)CCC)[C@H]2C1 ZINC001217573639 1094444177 /nfs/dbraw/zinc/44/41/77/1094444177.db2.gz VUYCDOODCWMCOL-OKZBNKHCSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)sc1C ZINC001135234590 1094453473 /nfs/dbraw/zinc/45/34/73/1094453473.db2.gz BQAXYDVXHWRVGK-NEPJUHHUSA-N 0 3 323.506 3.345 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135229770 1094459382 /nfs/dbraw/zinc/45/93/82/1094459382.db2.gz DGWPBZPEKXHMKE-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC001135357431 1094501248 /nfs/dbraw/zinc/50/12/48/1094501248.db2.gz CMZZJGNBBFRXOR-KGLIPLIRSA-N 0 3 323.868 3.464 20 30 DGEDHN CC1(CO[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)C[NH2+]C1 ZINC001217841844 1094503978 /nfs/dbraw/zinc/50/39/78/1094503978.db2.gz VEHJNNARHIYBBU-QUWSGOTNSA-N 0 3 310.397 3.232 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@H](C)NCc2cnc(C)o2)CCC1 ZINC001135395351 1094515274 /nfs/dbraw/zinc/51/52/74/1094515274.db2.gz PNDQYPLIENDWEZ-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2nc(C)cs2)C1 ZINC001135418032 1094529159 /nfs/dbraw/zinc/52/91/59/1094529159.db2.gz BKFYWCJXHACVPJ-STQMWFEESA-N 0 3 321.490 3.181 20 30 DGEDHN CCCCCC[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135548648 1094572566 /nfs/dbraw/zinc/57/25/66/1094572566.db2.gz URRQEFWCULDPKG-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)CCC(=O)N1CCO[C@@H]2CN(CCCCCCC)C[C@@H]21 ZINC001218041597 1094573415 /nfs/dbraw/zinc/57/34/15/1094573415.db2.gz WMJSJZWHCLJSHY-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135560868 1094577048 /nfs/dbraw/zinc/57/70/48/1094577048.db2.gz MKENOFGUXYNBBX-STQMWFEESA-N 0 3 323.506 3.427 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135562460 1094578115 /nfs/dbraw/zinc/57/81/15/1094578115.db2.gz ZWLUKFMRINOEAC-QWHCGFSZSA-N 0 3 323.506 3.427 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135565364 1094579393 /nfs/dbraw/zinc/57/93/93/1094579393.db2.gz UGTMHULKBLAZIF-QWHCGFSZSA-N 0 3 321.465 3.267 20 30 DGEDHN N#Cc1ccc(-c2cccc(O[C@H]3CC[C@@H]4NCCO[C@@H]43)c2)cc1 ZINC001218120967 1094619092 /nfs/dbraw/zinc/61/90/92/1094619092.db2.gz YAOLMTIVSDPSFL-UFYCRDLUSA-N 0 3 320.392 3.123 20 30 DGEDHN C#C[C@H](CCCCC)Oc1nc2onc(C)c2c2c1CNCC2 ZINC001218342793 1094728934 /nfs/dbraw/zinc/72/89/34/1094728934.db2.gz YTXJFXJGTZUGNU-CYBMUJFWSA-N 0 3 313.401 3.138 20 30 DGEDHN C=CC[C@@H](Oc1nc2onc(C)c2c2c1CNCC2)C(C)C ZINC001218435659 1094772667 /nfs/dbraw/zinc/77/26/67/1094772667.db2.gz AVDZQHAKISLNHI-CQSZACIVSA-N 0 3 301.390 3.156 20 30 DGEDHN Fc1cc(O[C@@H]2CNCCC2(F)F)cc(F)c1C(F)(F)F ZINC001218449505 1094782598 /nfs/dbraw/zinc/78/25/98/1094782598.db2.gz TXGWNDNBSMSILR-SECBINFHSA-N 0 3 317.204 3.360 20 30 DGEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc([O-])c1Br ZINC001218454781 1094786262 /nfs/dbraw/zinc/78/62/62/1094786262.db2.gz CIYVIAJWSBXPNB-ZYHUDNBSSA-N 0 3 312.207 3.230 20 30 DGEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(=S)[n-]c2scc(C)c21 ZINC001218456029 1094787484 /nfs/dbraw/zinc/78/74/84/1094787484.db2.gz QPMSRPPTKVGSTJ-GHMZBOCLSA-N 0 3 321.471 3.364 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](CC)c1ccccc1 ZINC001170876937 1094790819 /nfs/dbraw/zinc/79/08/19/1094790819.db2.gz PRWDERJZFMKHQG-OAHLLOKOSA-N 0 3 308.853 3.419 20 30 DGEDHN CC(=O)O/N=C(/C)c1ccccc1O[C@@H]1CNCc2ccccc21 ZINC001218493451 1094820268 /nfs/dbraw/zinc/82/02/68/1094820268.db2.gz PERPXCXBOVQCAR-UOIFGXKSSA-N 0 3 324.380 3.197 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1C ZINC001103980650 1094825751 /nfs/dbraw/zinc/82/57/51/1094825751.db2.gz CFNVPBMERLRNQP-IIAWOOMASA-N 0 3 314.901 3.495 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC001121988807 1094859570 /nfs/dbraw/zinc/85/95/70/1094859570.db2.gz MVUVRBRZIMFTRT-KRWDZBQOSA-N 0 3 320.481 3.194 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCc2cc(OCCC)ccc2C1 ZINC001122050678 1094885567 /nfs/dbraw/zinc/88/55/67/1094885567.db2.gz VCMSGLNWYJOIIN-SFHVURJKSA-N 0 3 316.445 3.044 20 30 DGEDHN C=C(C)CCC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC001337229464 1094904493 /nfs/dbraw/zinc/90/44/93/1094904493.db2.gz PBVHMGNCFLHBDR-UHFFFAOYSA-N 0 3 301.434 3.123 20 30 DGEDHN C[C@H](CCCCNCc1ccccc1C#N)NC(=O)C1(C)CC1 ZINC001170920525 1094929899 /nfs/dbraw/zinc/92/98/99/1094929899.db2.gz DTKVWPRBRNYPSM-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CCC2CCCC2)[C@@H](O)C1 ZINC001219137764 1094944477 /nfs/dbraw/zinc/94/44/77/1094944477.db2.gz TTYVYOKFGZKCFF-MSOLQXFVSA-N 0 3 324.509 3.089 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001122313412 1094949439 /nfs/dbraw/zinc/94/94/39/1094949439.db2.gz VHWURKPQOSDALH-VNEPOGMYSA-N 0 3 304.821 3.161 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)CC2=CCCCC2)[C@@H](O)C1 ZINC001219357539 1094967776 /nfs/dbraw/zinc/96/77/76/1094967776.db2.gz ANBOJFXNABTOTH-MSOLQXFVSA-N 0 3 322.493 3.009 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCc2ccccc2)C1 ZINC001111861017 1094992117 /nfs/dbraw/zinc/99/21/17/1094992117.db2.gz OPKNYWAPIHGEAS-FPOVZHCZSA-N 0 3 324.468 3.003 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001122517624 1094997377 /nfs/dbraw/zinc/99/73/77/1094997377.db2.gz GGRCXPLDRBPTGL-GVDBMIGSSA-N 0 3 307.397 3.255 20 30 DGEDHN CCc1c(C(=O)C(C#N)c2nccn2C)cnn1C(CC)CC ZINC001122519484 1094997595 /nfs/dbraw/zinc/99/75/95/1094997595.db2.gz XSHHDKFGDYRTIE-ZDUSSCGKSA-N 0 3 313.405 3.030 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001111956608 1095019721 /nfs/dbraw/zinc/01/97/21/1095019721.db2.gz QWJJQKIUXSJSCG-BXWFABGCSA-N 0 3 304.478 3.053 20 30 DGEDHN C#Cc1ccc(CNC(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)cc1 ZINC001220382523 1095090148 /nfs/dbraw/zinc/09/01/48/1095090148.db2.gz ZJPMZXHTAIHVKB-VQTJNVASSA-N 0 3 318.420 3.168 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CC1CCCC1 ZINC001220663661 1095134468 /nfs/dbraw/zinc/13/44/68/1095134468.db2.gz KDGNWTWDWIANCR-PBHICJAKSA-N 0 3 316.445 3.336 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001171035032 1095162720 /nfs/dbraw/zinc/16/27/20/1095162720.db2.gz FUYGMCIZXXZUHQ-CQSZACIVSA-N 0 3 309.479 3.264 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4c(Cl)cccc4C3)CCC2S1 ZINC001171037071 1095172649 /nfs/dbraw/zinc/17/26/49/1095172649.db2.gz JKFPBQOVVLKWTE-XJKSGUPXSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4c(Cl)cccc4C3)CC[C@H]2S1 ZINC001171037071 1095172654 /nfs/dbraw/zinc/17/26/54/1095172654.db2.gz JKFPBQOVVLKWTE-XJKSGUPXSA-N 0 3 319.857 3.471 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)CCCCCCCC)[C@@H](O)C1 ZINC001221030941 1095189134 /nfs/dbraw/zinc/18/91/34/1095189134.db2.gz SPOLKBVOOMHQRW-KURKYZTESA-N 0 3 324.509 3.111 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221121211 1095203587 /nfs/dbraw/zinc/20/35/87/1095203587.db2.gz XDGSXQGMFXDTJZ-AOIWGVFYSA-N 0 3 324.509 3.111 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC001123337111 1095245489 /nfs/dbraw/zinc/24/54/89/1095245489.db2.gz NNUICMYTSXEZJU-CYBMUJFWSA-N 0 3 319.767 3.412 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H](C)SC)CCCCC1 ZINC001115489125 1095249483 /nfs/dbraw/zinc/24/94/83/1095249483.db2.gz JFEIIELCMODTTG-CYBMUJFWSA-N 0 3 318.914 3.289 20 30 DGEDHN C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@H](C)N1CC#N ZINC001338287266 1095250928 /nfs/dbraw/zinc/25/09/28/1095250928.db2.gz CWPYMABSDUIGMT-CALCHBBNSA-N 0 3 320.440 3.167 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cncs2)CCCCC1 ZINC001115556921 1095277980 /nfs/dbraw/zinc/27/79/80/1095277980.db2.gz IYTUXJJQYPUANT-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001221488656 1095283686 /nfs/dbraw/zinc/28/36/86/1095283686.db2.gz RMNBUZNILDSXBP-WOJBJXKFSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001221512503 1095289691 /nfs/dbraw/zinc/28/96/91/1095289691.db2.gz DAQJTJGGXBUGMV-BHIYHBOVSA-N 0 3 310.441 3.084 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCC[C@@H](C)CCC)[C@@H]2C1 ZINC001221577874 1095302718 /nfs/dbraw/zinc/30/27/18/1095302718.db2.gz KBYOYBQMAUWCIG-RCCFBDPRSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221574848 1095303305 /nfs/dbraw/zinc/30/33/05/1095303305.db2.gz MBWDHORLYSVWMV-QZTJIDSGSA-N 0 3 312.457 3.322 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCc3ccsc3)[C@@H]2C1 ZINC001221633212 1095317524 /nfs/dbraw/zinc/31/75/24/1095317524.db2.gz RFRMGLDZUQPIIJ-IAGOWNOFSA-N 0 3 318.486 3.180 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccns2)CCCCC1 ZINC001115701255 1095342443 /nfs/dbraw/zinc/34/24/43/1095342443.db2.gz FVVQIXMIILNVGX-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221839478 1095371633 /nfs/dbraw/zinc/37/16/33/1095371633.db2.gz UGFOQHVSDVGHDX-QZTJIDSGSA-N 0 3 312.457 3.322 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)CCCCC)[C@@H]2C1 ZINC001221854719 1095374689 /nfs/dbraw/zinc/37/46/89/1095374689.db2.gz CFXWEQJLOBNTFZ-RCCFBDPRSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)CCCCCC)[C@@H]2C1 ZINC001221883899 1095381284 /nfs/dbraw/zinc/38/12/84/1095381284.db2.gz ZHSSJYPJBJQRNW-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)CCCC1 ZINC001222142081 1095453387 /nfs/dbraw/zinc/45/33/87/1095453387.db2.gz FUCHXEUGDYHTSW-HZPDHXFCSA-N 0 3 308.441 3.015 20 30 DGEDHN N#Cc1cncc(CN2CCC3(CC(OCC4CC4)C3)CC2)c1 ZINC001144079886 1095503494 /nfs/dbraw/zinc/50/34/94/1095503494.db2.gz NGAWIRRPRLIELC-UHFFFAOYSA-N 0 3 311.429 3.124 20 30 DGEDHN C=C(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC001144213434 1095561789 /nfs/dbraw/zinc/56/17/89/1095561789.db2.gz PLQZQXRUBGNVTM-CQSZACIVSA-N 0 3 312.335 3.058 20 30 DGEDHN COc1cccc(OC)c1CN[C@H](C)Cc1cccc(C#N)c1 ZINC001171181225 1095658752 /nfs/dbraw/zinc/65/87/52/1095658752.db2.gz IKABHNPBHOJOTI-CQSZACIVSA-N 0 3 310.397 3.296 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(F)ccc2CC)C1 ZINC001091119262 1095667264 /nfs/dbraw/zinc/66/72/64/1095667264.db2.gz VQWMCPNGRGGCKR-UHFFFAOYSA-N 0 3 324.827 3.239 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(F)cnc1Cl ZINC001171194553 1095688661 /nfs/dbraw/zinc/68/86/61/1095688661.db2.gz KJLYLLZYBYWFHI-LLVKDONJSA-N 0 3 303.768 3.467 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1nccn1CC(F)(F)F ZINC001171195318 1095691358 /nfs/dbraw/zinc/69/13/58/1095691358.db2.gz RIAYNPJNRRLEIR-GFCCVEGCSA-N 0 3 322.334 3.038 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(Cc3ccc(C)cc3)CC2)C1=O ZINC001116904922 1095697078 /nfs/dbraw/zinc/69/70/78/1095697078.db2.gz IBWSTRPQLSKLJT-IBGZPJMESA-N 0 3 312.457 3.036 20 30 DGEDHN CC(C)COc1cc(CN[C@@H](C)Cc2cccc(C#N)c2)ncn1 ZINC001171198297 1095707880 /nfs/dbraw/zinc/70/78/80/1095707880.db2.gz JQSVOBQWHZSJLY-HNNXBMFYSA-N 0 3 324.428 3.104 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3cccc(C)n3)C2)cc1 ZINC001144581303 1095717510 /nfs/dbraw/zinc/71/75/10/1095717510.db2.gz OZYNGKQMGNFVDL-LJQANCHMSA-N 0 3 306.409 3.415 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ccccc3OC)C2)cc1 ZINC001144573951 1095722784 /nfs/dbraw/zinc/72/27/84/1095722784.db2.gz VJIJDOSLVOAOOT-GOSISDBHSA-N 0 3 307.393 3.330 20 30 DGEDHN C#Cc1ccc(CN(CCOC(C)C)CCOC(C)C)cc1 ZINC001144573228 1095723276 /nfs/dbraw/zinc/72/32/76/1095723276.db2.gz DSUJMEZCQCTLCK-UHFFFAOYSA-N 0 3 303.446 3.320 20 30 DGEDHN N#Cc1cccnc1CO[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001222742810 1095740019 /nfs/dbraw/zinc/74/00/19/1095740019.db2.gz VBQOCYSUJRBIEP-GOSISDBHSA-N 0 3 307.397 3.134 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1CC(F)(F)F ZINC001339967026 1095795291 /nfs/dbraw/zinc/79/52/91/1095795291.db2.gz ACOCEZRKSMDYQD-GFCCVEGCSA-N 0 3 300.324 3.414 20 30 DGEDHN COCn1ncc(C)c1CN[C@H](CCCC#N)c1ccccc1 ZINC001117698375 1095803285 /nfs/dbraw/zinc/80/32/85/1095803285.db2.gz DEGKTQZOTHAYFL-QGZVFWFLSA-N 0 3 312.417 3.320 20 30 DGEDHN Cn1ncc2ccc(CNC3CC(C#N)(c4ccccc4)C3)cc21 ZINC001117697085 1095805331 /nfs/dbraw/zinc/80/53/31/1095805331.db2.gz HBRLJGLCXJWMJJ-UHFFFAOYSA-N 0 3 316.408 3.287 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC001340014033 1095815042 /nfs/dbraw/zinc/81/50/42/1095815042.db2.gz MCPSPUNYYOJZGS-HUUCEWRRSA-N 0 3 315.442 3.032 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001091229514 1095838594 /nfs/dbraw/zinc/83/85/94/1095838594.db2.gz FOGYXQVZWVMWNX-UHFFFAOYSA-N 0 3 321.852 3.056 20 30 DGEDHN C=Cc1ccc(C(=O)NCC2CC(NCC(=C)Cl)C2)cc1 ZINC001091249418 1095851491 /nfs/dbraw/zinc/85/14/91/1095851491.db2.gz OWJFZIGCYYYUQK-UHFFFAOYSA-N 0 3 304.821 3.180 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC2(C1)CCOCC2 ZINC001340121755 1095872061 /nfs/dbraw/zinc/87/20/61/1095872061.db2.gz MWLZALMCRAJJOJ-INIZCTEOSA-N 0 3 310.482 3.093 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001091327571 1095896212 /nfs/dbraw/zinc/89/62/12/1095896212.db2.gz RXCUGDZWUGLADH-UHFFFAOYSA-N 0 3 324.852 3.255 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2oc(CC)cc2C)C1 ZINC001091326533 1095897195 /nfs/dbraw/zinc/89/71/95/1095897195.db2.gz SYORVXBIOKRCAN-UHFFFAOYSA-N 0 3 310.825 3.001 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001091353348 1095911561 /nfs/dbraw/zinc/91/15/61/1095911561.db2.gz KMKOFYDJTJPUDD-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001091380869 1095925585 /nfs/dbraw/zinc/92/55/85/1095925585.db2.gz OZJLDVIRNCUOJH-UHFFFAOYSA-N 0 3 318.848 3.415 20 30 DGEDHN C=C(C)CCC(=O)NCC1CCN(Cc2cncc(C)c2)CC1 ZINC001223352332 1095945304 /nfs/dbraw/zinc/94/53/04/1095945304.db2.gz ALJNICYRODGZPY-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(C)CCC(=O)NCC1CCN(Cc2cnccc2C)CC1 ZINC001223352299 1095945785 /nfs/dbraw/zinc/94/57/85/1095945785.db2.gz ABAJZNJADWLVGA-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCCC2)[C@H](n2cncn2)C1 ZINC001118431371 1096009489 /nfs/dbraw/zinc/00/94/89/1096009489.db2.gz RZXQYEIYCPLPME-OWCLPIDISA-N 0 3 301.438 3.071 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC001340715834 1096015047 /nfs/dbraw/zinc/01/50/47/1096015047.db2.gz DRWRTBZNCHNONP-RRQGHBQHSA-N 0 3 304.409 3.419 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001276908017 1096021909 /nfs/dbraw/zinc/02/19/09/1096021909.db2.gz AOVXLSAOVKEHDR-WCQYABFASA-N 0 3 312.360 3.376 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(c2ccon2)CC1 ZINC001340766430 1096027613 /nfs/dbraw/zinc/02/76/13/1096027613.db2.gz CWPHCBWFIAEDRR-MRXNPFEDSA-N 0 3 321.465 3.459 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001340773733 1096028047 /nfs/dbraw/zinc/02/80/47/1096028047.db2.gz KAMUIIMCVMGELG-QGZVFWFLSA-N 0 3 301.434 3.299 20 30 DGEDHN COc1ccc(Cl)c2c1C[C@H](NCC1(C#N)CCC1)CC2 ZINC001171283904 1096095466 /nfs/dbraw/zinc/09/54/66/1096095466.db2.gz KVZHTNDKJQOHCD-GFCCVEGCSA-N 0 3 304.821 3.489 20 30 DGEDHN C#CCN(Cc1cc(Cl)c2c(c1)OCCCO2)CC1CC1 ZINC001341067066 1096109227 /nfs/dbraw/zinc/10/92/27/1096109227.db2.gz FYFSTSQNTCINJH-UHFFFAOYSA-N 0 3 305.805 3.347 20 30 DGEDHN N#Cc1ccccc1N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001276953620 1096156787 /nfs/dbraw/zinc/15/67/87/1096156787.db2.gz NEOJMNIRAFZNNM-HXUWFJFHSA-N 0 3 320.440 3.379 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1OCCNC2 ZINC001341337286 1096157906 /nfs/dbraw/zinc/15/79/06/1096157906.db2.gz OOSGPIHLJMBUJW-YOEHRIQHSA-N 0 3 314.429 3.033 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2c1OCCNC2 ZINC001341337285 1096158174 /nfs/dbraw/zinc/15/81/74/1096158174.db2.gz OOSGPIHLJMBUJW-WMLDXEAASA-N 0 3 314.429 3.033 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](CCC)CC(C)C)C[C@@H]21 ZINC001224263953 1096174968 /nfs/dbraw/zinc/17/49/68/1096174968.db2.gz VNLQLXHHKURBCZ-QYZOEREBSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN([C@@H](C)c1ccc(F)cc1)C2 ZINC001147187634 1096179422 /nfs/dbraw/zinc/17/94/22/1096179422.db2.gz KKVUYGLASMIEHX-HNNXBMFYSA-N 0 3 316.420 3.387 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN([C@@H](C)c1ccccc1F)C2 ZINC001147188247 1096179915 /nfs/dbraw/zinc/17/99/15/1096179915.db2.gz VWQWWBUCXFDPAY-HNNXBMFYSA-N 0 3 316.420 3.387 20 30 DGEDHN C=CCCC[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC001119483320 1096211041 /nfs/dbraw/zinc/21/10/41/1096211041.db2.gz QVCUVBPWOQSCSX-BRWVUGGUSA-N 0 3 319.424 3.165 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCN1CCC1CC1)c1ccccc1 ZINC001276976248 1096227004 /nfs/dbraw/zinc/22/70/04/1096227004.db2.gz AACNBSKENFFLRL-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCN1C(C)C)c1ccccc1 ZINC001276985763 1096248437 /nfs/dbraw/zinc/24/84/37/1096248437.db2.gz IYPLSBIRYSOFJP-QZTJIDSGSA-N 0 3 300.446 3.335 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCC[C@@H](C)CC)C2)C1 ZINC001147636951 1096248705 /nfs/dbraw/zinc/24/87/05/1096248705.db2.gz REIWHKOMWCMMCZ-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCC[C@@H](C)CCC)C2)C1 ZINC001147636621 1096249734 /nfs/dbraw/zinc/24/97/34/1096249734.db2.gz KQTCPSKDOSMTLW-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001276986261 1096250268 /nfs/dbraw/zinc/25/02/68/1096250268.db2.gz TZBRIOPPGWTMOC-KRWDZBQOSA-N 0 3 314.473 3.429 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)CCCCC)CC1 ZINC001224771450 1096282497 /nfs/dbraw/zinc/28/24/97/1096282497.db2.gz HKXFXTHGBXZBIZ-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001225154635 1096354739 /nfs/dbraw/zinc/35/47/39/1096354739.db2.gz CSCJMOLNGLKRAR-MRXNPFEDSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001225302281 1096389394 /nfs/dbraw/zinc/38/93/94/1096389394.db2.gz YQFPZBWRASOMCX-BPLDGKMQSA-N 0 3 300.874 3.438 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCCCCCC)C2)C1 ZINC001148665758 1096424179 /nfs/dbraw/zinc/42/41/79/1096424179.db2.gz DQXMIAFBDYMUGE-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001277046426 1096439885 /nfs/dbraw/zinc/43/98/85/1096439885.db2.gz RTACETAEJKFKCH-JHJVBQTASA-N 0 3 312.866 3.089 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001148881927 1096467072 /nfs/dbraw/zinc/46/70/72/1096467072.db2.gz ZXBDOLPPMGUGQH-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN CCc1cccc(CNC2(CNC(=O)C#CC(C)(C)C)CC2)c1 ZINC001277054678 1096467281 /nfs/dbraw/zinc/46/72/81/1096467281.db2.gz IADKXHXUIHEKCZ-UHFFFAOYSA-N 0 3 312.457 3.037 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC2(C1)CCN(CC=C)C2)c1ccccc1 ZINC001148941437 1096470008 /nfs/dbraw/zinc/47/00/08/1096470008.db2.gz NKDXGLVQGGUCOT-LJQANCHMSA-N 0 3 324.468 3.457 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C/C=C/c3ccc(C)cc3)C2)C1 ZINC001148951823 1096470862 /nfs/dbraw/zinc/47/08/62/1096470862.db2.gz WSSBJCPGKOHYGY-SNAWJCMRSA-N 0 3 310.441 3.119 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001086878063 1096490238 /nfs/dbraw/zinc/49/02/38/1096490238.db2.gz XUPSMXJOSUCIPA-GOEBONIOSA-N 0 3 310.869 3.360 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C)s3)C2)CC1 ZINC001086898124 1096497003 /nfs/dbraw/zinc/49/70/03/1096497003.db2.gz AQZPSCYXEQEWRO-CQSZACIVSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccccc3C)C2)CC1 ZINC001086900797 1096498886 /nfs/dbraw/zinc/49/88/86/1096498886.db2.gz RIWVGFVXOFLDFI-GOSISDBHSA-N 0 3 324.468 3.335 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C(C)=C3CCCC3)C2)CC1 ZINC001086915465 1096512588 /nfs/dbraw/zinc/51/25/88/1096512588.db2.gz IZTGLRZIBFWZNV-INIZCTEOSA-N 0 3 314.473 3.213 20 30 DGEDHN C[C@]1(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CC=CCC1 ZINC001277066504 1096513079 /nfs/dbraw/zinc/51/30/79/1096513079.db2.gz WAMCYZIVEVOYOE-IBGZPJMESA-N 0 3 323.440 3.043 20 30 DGEDHN C[C@@]1(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CC=CCC1 ZINC001277066506 1096513337 /nfs/dbraw/zinc/51/33/37/1096513337.db2.gz WAMCYZIVEVOYOE-LJQANCHMSA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccccc3C(C)(C)C)C[C@]2(C)C1 ZINC001091768378 1096534412 /nfs/dbraw/zinc/53/44/12/1096534412.db2.gz BQRWFTKOQBBHBA-IERDGZPVSA-N 0 3 324.468 3.011 20 30 DGEDHN CCN1CCC[C@@H](Oc2ccc(Br)cc2C#N)C1 ZINC001225836522 1096542207 /nfs/dbraw/zinc/54/22/07/1096542207.db2.gz DASDEPZEPHMFBW-CYBMUJFWSA-N 0 3 309.207 3.184 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC001225912157 1096562264 /nfs/dbraw/zinc/56/22/64/1096562264.db2.gz DDOOZDDMOQOUJB-QZTJIDSGSA-N 0 3 316.420 3.146 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC3CCCCC3)C[C@]2(C)C1 ZINC001092063268 1096571969 /nfs/dbraw/zinc/57/19/69/1096571969.db2.gz LCUWWNDCWYONMH-POAQFYNOSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001092200313 1096584179 /nfs/dbraw/zinc/58/41/79/1096584179.db2.gz IRKYLIWRSZKKOU-HLIPFELVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001277092894 1096591930 /nfs/dbraw/zinc/59/19/30/1096591930.db2.gz QLXILXQYPASBQH-DTZQCDIJSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1ccccc1)C2 ZINC001110130892 1096603579 /nfs/dbraw/zinc/60/35/79/1096603579.db2.gz JUGRILKKWABCSL-YSHGAJCASA-N 0 3 312.457 3.163 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC001273457644 1096648777 /nfs/dbraw/zinc/64/87/77/1096648777.db2.gz QHDVRFKSOKMZRK-PKOBYXMFSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC001093352595 1096678788 /nfs/dbraw/zinc/67/87/88/1096678788.db2.gz KZFSMFYGXOFNBN-IBGZPJMESA-N 0 3 322.452 3.027 20 30 DGEDHN Cc1cc(C#N)cc(C)c1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001226528710 1096714666 /nfs/dbraw/zinc/71/46/66/1096714666.db2.gz ZXPBXFBZRBEJDZ-IYARVYRRSA-N 0 3 314.429 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc4occc4c3)CCC[C@@H]12 ZINC001094422175 1096821497 /nfs/dbraw/zinc/82/14/97/1096821497.db2.gz QRBJQGFMVCBCQS-UYAOXDASSA-N 0 3 322.408 3.040 20 30 DGEDHN CC[C@H](CC(=O)NCCCNCc1ccccc1C#N)C(C)C ZINC001171562341 1096924284 /nfs/dbraw/zinc/92/42/84/1096924284.db2.gz XTSBWIAENOKIHS-MRXNPFEDSA-N 0 3 315.461 3.226 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)C[C@@H]1C(C)(C)C ZINC001171580072 1096928964 /nfs/dbraw/zinc/92/89/64/1096928964.db2.gz SONWPKSCPBLRQI-UONOGXRCSA-N 0 3 309.454 3.304 20 30 DGEDHN COC(=O)C1(C#N)CCN([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171682447 1096947141 /nfs/dbraw/zinc/94/71/41/1096947141.db2.gz VRXYOXPJPDCPKO-INIZCTEOSA-N 0 3 314.429 3.095 20 30 DGEDHN CCCCCCCN1CC2(C1)SCC[C@@H]2C(=O)N1CC=CC1 ZINC001277226121 1096963075 /nfs/dbraw/zinc/96/30/75/1096963075.db2.gz QWSRTXYKGKSGAP-MRXNPFEDSA-N 0 3 322.518 3.163 20 30 DGEDHN CCCCCCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N(C)C ZINC001277233269 1096972585 /nfs/dbraw/zinc/97/25/85/1096972585.db2.gz LYSLXUSDIVOZNY-MLHJIOFPSA-N 0 3 324.509 3.039 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@@H]2C(=O)N(C)CCOC)C1 ZINC001277233649 1096973625 /nfs/dbraw/zinc/97/36/25/1096973625.db2.gz QCYVIKQCWMJABM-QGZVFWFLSA-N 0 3 324.509 3.164 20 30 DGEDHN C=CCCCCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001171954728 1097003747 /nfs/dbraw/zinc/00/37/47/1097003747.db2.gz OVYRZYCSTKTPEC-QGZVFWFLSA-N 0 3 322.474 3.249 20 30 DGEDHN C=CCCCCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001227881120 1097006693 /nfs/dbraw/zinc/00/66/93/1097006693.db2.gz AZBHAGBRPNTVGM-QGZVFWFLSA-N 0 3 307.482 3.439 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(Cl)cccc1Cl ZINC001171922754 1097008873 /nfs/dbraw/zinc/00/88/73/1097008873.db2.gz HZIFAPMFJBXKPV-UHFFFAOYSA-N 0 3 321.635 3.455 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001228269220 1097085435 /nfs/dbraw/zinc/08/54/35/1097085435.db2.gz BMZMJBUXAGTOMV-WOJBJXKFSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1CC ZINC001228270483 1097086325 /nfs/dbraw/zinc/08/63/25/1097086325.db2.gz RZCUFHUBIIGBQO-IAGOWNOFSA-N 0 3 319.449 3.110 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1cc(F)ccc1F ZINC001172304312 1097094929 /nfs/dbraw/zinc/09/49/29/1097094929.db2.gz JKCYTAAAUUSLRH-KPZWWZAWSA-N 0 3 316.351 3.091 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCN(CC#CC)C1 ZINC001277286174 1097100125 /nfs/dbraw/zinc/10/01/25/1097100125.db2.gz VZMSBYHCPPAFPW-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCNCc2nc(C)cs2)C1 ZINC001277292053 1097105150 /nfs/dbraw/zinc/10/51/50/1097105150.db2.gz UQDNTPZJJKAXBX-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccn(CC(F)(F)F)n1 ZINC001172300003 1097109971 /nfs/dbraw/zinc/10/99/71/1097109971.db2.gz QJRSQGYHBGAWPI-GFCCVEGCSA-N 0 3 322.334 3.038 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(F)cnc1Cl ZINC001172299572 1097110102 /nfs/dbraw/zinc/11/01/02/1097110102.db2.gz LSMOFOMKLQHUTI-LLVKDONJSA-N 0 3 303.768 3.467 20 30 DGEDHN CC[C@H](C)OCC[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001172340840 1097118442 /nfs/dbraw/zinc/11/84/42/1097118442.db2.gz LNTASKCAZCQCTJ-SJORKVTESA-N 0 3 315.461 3.274 20 30 DGEDHN C[C@H](CCCC#N)N1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001172497152 1097171358 /nfs/dbraw/zinc/17/13/58/1097171358.db2.gz YVBIHKLCAAVPNB-CQSZACIVSA-N 0 3 307.438 3.154 20 30 DGEDHN C[C@H](CCCC#N)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172499213 1097172254 /nfs/dbraw/zinc/17/22/54/1097172254.db2.gz BZZADWXUGFDKIQ-KFWWJZLASA-N 0 3 309.454 3.398 20 30 DGEDHN CCOc1cccc(N2CCN([C@H](C)CCCC#N)CC2)c1 ZINC001172499458 1097172291 /nfs/dbraw/zinc/17/22/91/1097172291.db2.gz XQBXBXXEXOQPKB-MRXNPFEDSA-N 0 3 301.434 3.290 20 30 DGEDHN C[C@H](CCCC#N)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172508264 1097174163 /nfs/dbraw/zinc/17/41/63/1097174163.db2.gz BZZADWXUGFDKIQ-ILXRZTDVSA-N 0 3 309.454 3.398 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1sc(C)nc1C)C2 ZINC001206166566 1097198960 /nfs/dbraw/zinc/19/89/60/1097198960.db2.gz VPWCKNLGOSKAGF-WBVHZDCISA-N 0 3 322.474 3.086 20 30 DGEDHN N#Cc1cccc(OC2CCN(C3CC3)CC2)c1Br ZINC001229006043 1097235095 /nfs/dbraw/zinc/23/50/95/1097235095.db2.gz ZBQVHPOIBBXNON-UHFFFAOYSA-N 0 3 321.218 3.326 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001229035921 1097242029 /nfs/dbraw/zinc/24/20/29/1097242029.db2.gz IZERBUHISBBCRL-GOSISDBHSA-N 0 3 303.365 3.083 20 30 DGEDHN C[C@@H](Cc1c(F)cccc1Cl)NC(=N)c1ccc(F)cn1 ZINC001172847106 1097260536 /nfs/dbraw/zinc/26/05/36/1097260536.db2.gz ZZKXICLLTKOKQY-VIFPVBQESA-N 0 3 309.747 3.350 20 30 DGEDHN N#Cc1ccc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001229186789 1097273811 /nfs/dbraw/zinc/27/38/11/1097273811.db2.gz LXUHGRNHRYBWTQ-INIZCTEOSA-N 0 3 323.352 3.120 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001203342285 1097297088 /nfs/dbraw/zinc/29/70/88/1097297088.db2.gz ZGHIYPYAVXZRHM-CABCVRRESA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001229347705 1097302385 /nfs/dbraw/zinc/30/23/85/1097302385.db2.gz UIRUELFOCHOADR-BPLDGKMQSA-N 0 3 300.874 3.438 20 30 DGEDHN CC[C@H](C)C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001277379548 1097305119 /nfs/dbraw/zinc/30/51/19/1097305119.db2.gz RQIBWKGSSXMQMT-KRWDZBQOSA-N 0 3 312.457 3.007 20 30 DGEDHN C[C@@H]1CC[C@@H](N2CCC(C)(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173067816 1097321784 /nfs/dbraw/zinc/32/17/84/1097321784.db2.gz YZHZSZHHGRHCIF-HUUCEWRRSA-N 0 3 321.465 3.400 20 30 DGEDHN Cc1nnc(OC2CCN(Cc3ccccc3)CC2)c(C#N)c1C ZINC001229447080 1097323487 /nfs/dbraw/zinc/32/34/87/1097323487.db2.gz NIWFBXKUBJQKDH-UHFFFAOYSA-N 0 3 322.412 3.009 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@@H](C)CCCCC)CC1 ZINC001229485879 1097329924 /nfs/dbraw/zinc/32/99/24/1097329924.db2.gz LCTRQNUODLVBMA-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cccc1 ZINC001229800501 1097389066 /nfs/dbraw/zinc/38/90/66/1097389066.db2.gz GHKABVQOFNHQPP-BZUAXINKSA-N 0 3 323.868 3.209 20 30 DGEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@H](C)CSCC)CCO2 ZINC001173304647 1097405570 /nfs/dbraw/zinc/40/55/70/1097405570.db2.gz CIYGZWYFKKLECP-IXDOHACOSA-N 0 3 313.507 3.202 20 30 DGEDHN C=CCOC1CCC(N[C@@H]2C(=O)Nc3cccc(C)c32)CC1 ZINC001173311766 1097407745 /nfs/dbraw/zinc/40/77/45/1097407745.db2.gz PXOIRUXLLRUKCW-KVULBXGLSA-N 0 3 300.402 3.092 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CN(C1CCC(CC#N)CC1)C2 ZINC001173331692 1097420075 /nfs/dbraw/zinc/42/00/75/1097420075.db2.gz SHVBOAVNVCWKEQ-UHFFFAOYSA-N 0 3 319.449 3.012 20 30 DGEDHN C=CCOC1CCC(NC2(c3cccc(C)c3)COC2)CC1 ZINC001173315749 1097427790 /nfs/dbraw/zinc/42/77/90/1097427790.db2.gz ROCDPSFICVEYFG-UHFFFAOYSA-N 0 3 301.430 3.324 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001230052743 1097437920 /nfs/dbraw/zinc/43/79/20/1097437920.db2.gz JCVLQSQRWOTWKQ-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C(C)(C)CCCCC)CC1 ZINC001230320602 1097475170 /nfs/dbraw/zinc/47/51/70/1097475170.db2.gz FLWHSBODTJPQKQ-UHFFFAOYSA-N 0 3 324.509 3.376 20 30 DGEDHN C[C@@H]1CC(N2CC(CC#N)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173678436 1097488450 /nfs/dbraw/zinc/48/84/50/1097488450.db2.gz OLPCTTGCGNSGHZ-CHWSQXEVSA-N 0 3 307.438 3.008 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230701892 1097559855 /nfs/dbraw/zinc/55/98/55/1097559855.db2.gz HTZUNDIBVKAHKQ-MRXNPFEDSA-N 0 3 304.434 3.481 20 30 DGEDHN C=C(C)CN(CCCNC(=O)/C=C(\C)CC)Cc1cccnc1 ZINC001230751727 1097574182 /nfs/dbraw/zinc/57/41/82/1097574182.db2.gz TVWUIYQPIVRECB-SFQUDFHCSA-N 0 3 315.461 3.322 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@@H](C)C(C)C)Cc1cccnc1 ZINC001230861353 1097608362 /nfs/dbraw/zinc/60/83/62/1097608362.db2.gz IMLMXUQDYXQFTI-KRWDZBQOSA-N 0 3 317.477 3.258 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001277473516 1097629271 /nfs/dbraw/zinc/62/92/71/1097629271.db2.gz FFYJJWDTJWQXKZ-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001231063058 1097658709 /nfs/dbraw/zinc/65/87/09/1097658709.db2.gz XQEZJWZJNKXYJF-MRXNPFEDSA-N 0 3 319.424 3.113 20 30 DGEDHN Cc1cc(C)cc(C(=O)NCCCNCc2ccccc2C#N)c1 ZINC001174562303 1097778936 /nfs/dbraw/zinc/77/89/36/1097778936.db2.gz LILGHQYHWQDDDT-UHFFFAOYSA-N 0 3 321.424 3.085 20 30 DGEDHN C(#Cc1ccccc1CN1C[C@@H]2CCO[C@@H]2C1)c1ccccc1 ZINC001231578859 1097783348 /nfs/dbraw/zinc/78/33/48/1097783348.db2.gz TWRGEDWIXJUROG-LEWJYISDSA-N 0 3 303.405 3.307 20 30 DGEDHN C#CC1CCN(Cc2[nH]nc3cc(Br)ccc32)CC1 ZINC001231613781 1097791829 /nfs/dbraw/zinc/79/18/29/1097791829.db2.gz BGHTWRMVCXABMH-UHFFFAOYSA-N 0 3 318.218 3.171 20 30 DGEDHN C=CCOc1cccc(CN2CCC(N(C)C(=O)CC)CC2)c1 ZINC001231624759 1097794872 /nfs/dbraw/zinc/79/48/72/1097794872.db2.gz VPRJGGIPDFYOLZ-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CC2)OC(=O)c2ccccc23)c1 ZINC001231659361 1097806893 /nfs/dbraw/zinc/80/68/93/1097806893.db2.gz KEOHOMWLGBERCR-UHFFFAOYSA-N 0 3 317.388 3.330 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001174848845 1097866234 /nfs/dbraw/zinc/86/62/34/1097866234.db2.gz IPOAMPWHFGXCEE-HUUCEWRRSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CC[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC001174890208 1097869229 /nfs/dbraw/zinc/86/92/29/1097869229.db2.gz FKIHBEHLWRPRNH-IEBWSBKVSA-N 0 3 314.473 3.440 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1ccn(CC)n1 ZINC001174977519 1097892083 /nfs/dbraw/zinc/89/20/83/1097892083.db2.gz CEMOPEUJVPJKCX-INIZCTEOSA-N 0 3 320.481 3.024 20 30 DGEDHN Cc1cc(C#N)ccc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001174992915 1097905567 /nfs/dbraw/zinc/90/55/67/1097905567.db2.gz CREGNIUAONPFTK-SFTDATJTSA-N 0 3 317.436 3.325 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCCNCc2cnc(C)o2)C1 ZINC001175158910 1097950788 /nfs/dbraw/zinc/95/07/88/1097950788.db2.gz KWVZCFKODVBGNP-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN CC(C)(C)c1cc(CN2CCC3SC(=O)C=C3C2)ccn1 ZINC001232214977 1097968470 /nfs/dbraw/zinc/96/84/70/1097968470.db2.gz AKHSOQBOQOICQN-AWEZNQCLSA-N 0 3 302.443 3.153 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001232278479 1097990281 /nfs/dbraw/zinc/99/02/81/1097990281.db2.gz OAEUCIWZSILLEL-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN N#Cc1ccc(N2CCN(CCCc3ccsc3)CC2)cc1 ZINC001175445429 1098051174 /nfs/dbraw/zinc/05/11/74/1098051174.db2.gz ZLPUWAOFFRNSSC-UHFFFAOYSA-N 0 3 311.454 3.375 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c(C)cccc1F)C2 ZINC001232487247 1098057031 /nfs/dbraw/zinc/05/70/31/1098057031.db2.gz NTFBSASRPSQFTI-VQIMIIECSA-N 0 3 319.420 3.460 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2nc(C)c(C)s2)C[C@H]1C ZINC001277723826 1098151368 /nfs/dbraw/zinc/15/13/68/1098151368.db2.gz WDNTULUJOUGHNL-IUODEOHRSA-N 0 3 321.490 3.195 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC001232844972 1098151815 /nfs/dbraw/zinc/15/18/15/1098151815.db2.gz GYMLEXFKTDHHJZ-QFBILLFUSA-N 0 3 323.465 3.326 20 30 DGEDHN CN(CCN(C)Cc1cc(F)ccc1C#N)Cc1ccccc1 ZINC001232894468 1098166950 /nfs/dbraw/zinc/16/69/50/1098166950.db2.gz VHBBLIJRZYTLQL-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c(C#N)c1 ZINC001232968637 1098186597 /nfs/dbraw/zinc/18/65/97/1098186597.db2.gz JYMICNDRLLPEHM-OALUTQOASA-N 0 3 315.436 3.265 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc(Cl)s1 ZINC001176011901 1098231983 /nfs/dbraw/zinc/23/19/83/1098231983.db2.gz PIUGITGDGQXSMC-UHFFFAOYSA-N 0 3 321.273 3.183 20 30 DGEDHN Cc1c[nH]c(=O)c(CN2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001233188906 1098247808 /nfs/dbraw/zinc/24/78/08/1098247808.db2.gz GDNGDDJGBJZLKR-UHFFFAOYSA-N 0 3 307.397 3.153 20 30 DGEDHN C=C(C)CN(CC)Cc1cnc2c(Br)cccn12 ZINC001233472053 1098344305 /nfs/dbraw/zinc/34/43/05/1098344305.db2.gz DBKXSXQUFIZCTF-UHFFFAOYSA-N 0 3 308.223 3.495 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001233491179 1098348964 /nfs/dbraw/zinc/34/89/64/1098348964.db2.gz VVYNSXNLQWAEAS-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCN1CC[C@H]2C[C@]21C(=O)Nc1cccc2nccn21 ZINC001277789566 1098370510 /nfs/dbraw/zinc/37/05/10/1098370510.db2.gz XDZJTHVGFHIOCP-HNAYVOBHSA-N 0 3 324.428 3.094 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCOC1 ZINC001233580948 1098382417 /nfs/dbraw/zinc/38/24/17/1098382417.db2.gz OSNPSARVNHZNHR-MSOLQXFVSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCOC1 ZINC001233581906 1098382819 /nfs/dbraw/zinc/38/28/19/1098382819.db2.gz UUAHVROBGXDGLE-MSOLQXFVSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCCCO1 ZINC001233662101 1098401230 /nfs/dbraw/zinc/40/12/30/1098401230.db2.gz CAEPIQYMFCCNJB-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1cc2ccccc2o1 ZINC001277802315 1098414986 /nfs/dbraw/zinc/41/49/86/1098414986.db2.gz ZGVFRMUNEJEGBE-OAHLLOKOSA-N 0 3 312.413 3.173 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001233762631 1098424975 /nfs/dbraw/zinc/42/49/75/1098424975.db2.gz UEFVMZSFCHGFKT-ICSRJNTNSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CCC ZINC001233760994 1098425122 /nfs/dbraw/zinc/42/51/22/1098425122.db2.gz GQTHYOIJSKBXKQ-XSFOEPMVSA-N 0 3 304.478 3.459 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@](C)(O)C1CC1 ZINC001233780272 1098430046 /nfs/dbraw/zinc/43/00/46/1098430046.db2.gz JTSNTEXZXRITPD-MJGOQNOKSA-N 0 3 324.509 3.041 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001233800491 1098433536 /nfs/dbraw/zinc/43/35/36/1098433536.db2.gz GRKBSTCIXVDJDE-OAHLLOKOSA-N 0 3 321.465 3.354 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1 ZINC001233801600 1098434065 /nfs/dbraw/zinc/43/40/65/1098434065.db2.gz QZXMVKPKVBSGHV-PKOBYXMFSA-N 0 3 312.457 3.474 20 30 DGEDHN C#C[C@H]1CCCCN1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001176832737 1098441723 /nfs/dbraw/zinc/44/17/23/1098441723.db2.gz GVVLVXWEQWHBPP-GJZGRUSLSA-N 0 3 311.347 3.097 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001233865279 1098444545 /nfs/dbraw/zinc/44/45/45/1098444545.db2.gz HIAWKAJJECDAFN-KRWDZBQOSA-N 0 3 319.493 3.450 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCCc2ccccc21 ZINC001177127070 1098474963 /nfs/dbraw/zinc/47/49/63/1098474963.db2.gz IPLAVGOGRZBGCO-QGZVFWFLSA-N 0 3 320.864 3.345 20 30 DGEDHN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144965 1098503977 /nfs/dbraw/zinc/50/39/77/1098503977.db2.gz YKHYIXWRASYJOY-RHSMWYFYSA-N 0 3 323.396 3.263 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001277834787 1098504059 /nfs/dbraw/zinc/50/40/59/1098504059.db2.gz GWTIFLABIKQPHV-GFCCVEGCSA-N 0 3 309.479 3.053 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)C#CC(C)C ZINC001177311709 1098514691 /nfs/dbraw/zinc/51/46/91/1098514691.db2.gz KONGYTVMTKWERI-UHFFFAOYSA-N 0 3 324.896 3.397 20 30 DGEDHN CN(C[C@H]1CCN1CC1CC2(CCC2)C1)C(=O)C#CC(C)(C)C ZINC001234215452 1098515634 /nfs/dbraw/zinc/51/56/34/1098515634.db2.gz LJRLYIHUTAXQBH-QGZVFWFLSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234246640 1098521677 /nfs/dbraw/zinc/52/16/77/1098521677.db2.gz RUPYKCMZXAAJJR-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234313915 1098535064 /nfs/dbraw/zinc/53/50/64/1098535064.db2.gz OEMRYBUFYMRNIV-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1CC(c2cccc(F)c2)C1 ZINC001177482516 1098539685 /nfs/dbraw/zinc/53/96/85/1098539685.db2.gz CDAHKEIVMBXCJS-UHFFFAOYSA-N 0 3 324.827 3.168 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCCOC(C)C ZINC001234516996 1098576948 /nfs/dbraw/zinc/57/69/48/1098576948.db2.gz HYEUNLHEMHMOHE-GOSISDBHSA-N 0 3 322.493 3.103 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCC1CCOCC1 ZINC001234614287 1098619382 /nfs/dbraw/zinc/61/93/82/1098619382.db2.gz PEKINOMHNPDYHK-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nccc2cnccc21 ZINC001177904970 1098643578 /nfs/dbraw/zinc/64/35/78/1098643578.db2.gz UMVMYACIEJTJBV-GFCCVEGCSA-N 0 3 308.366 3.012 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCC2CCCCC2)C[C@@H]1C ZINC001281681460 1098836996 /nfs/dbraw/zinc/83/69/96/1098836996.db2.gz AXEYNWJRDBGFMG-WMZOPIPTSA-N 0 3 304.478 3.339 20 30 DGEDHN CC[C@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178566415 1098873687 /nfs/dbraw/zinc/87/36/87/1098873687.db2.gz BGLDKTNJZTYCED-XEZPLFJOSA-N 0 3 319.474 3.135 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCCCC=C)CCC1 ZINC001235208683 1098879764 /nfs/dbraw/zinc/87/97/64/1098879764.db2.gz FMGPFZDYSRWQEZ-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)[C@@H]1C ZINC001178636493 1098894896 /nfs/dbraw/zinc/89/48/96/1098894896.db2.gz FORLIKNFCMFXHF-MPGHIAIKSA-N 0 3 316.420 3.125 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCCCC)CCC1 ZINC001235228135 1098901431 /nfs/dbraw/zinc/90/14/31/1098901431.db2.gz VGOZBDBUEISDOP-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC001277932800 1098907802 /nfs/dbraw/zinc/90/78/02/1098907802.db2.gz NQSNSHLJWLQMRQ-KRWDZBQOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178806098 1098936444 /nfs/dbraw/zinc/93/64/44/1098936444.db2.gz TZHYETVROXKIRJ-RYUDHWBXSA-N 0 3 305.249 3.241 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)C[C@H]1CCN1CCC ZINC001235395788 1098993587 /nfs/dbraw/zinc/99/35/87/1098993587.db2.gz XZSJWDQQZKXKJF-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1ncc(C)s1 ZINC001179235354 1099045029 /nfs/dbraw/zinc/04/50/29/1099045029.db2.gz NERPYMAWOSVVRW-UHFFFAOYSA-N 0 3 323.506 3.430 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001179278719 1099063337 /nfs/dbraw/zinc/06/33/37/1099063337.db2.gz YFFHIVGKYJQRSV-ZDUSSCGKSA-N 0 3 322.364 3.396 20 30 DGEDHN N#Cc1cc(F)c(CN2CCN(CC3CCCC3)CC2)c(F)c1 ZINC001235657667 1099110689 /nfs/dbraw/zinc/11/06/89/1099110689.db2.gz VMDZPKAJVANXLY-UHFFFAOYSA-N 0 3 319.399 3.144 20 30 DGEDHN C#CCN1CCC[C@H](NCc2ccc(Cl)c(C)c2Cl)C1 ZINC001179579837 1099150853 /nfs/dbraw/zinc/15/08/53/1099150853.db2.gz WEMOXHXYJURUMX-AWEZNQCLSA-N 0 3 311.256 3.489 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC001277968389 1099179060 /nfs/dbraw/zinc/17/90/60/1099179060.db2.gz HMRZBFAGEFRTID-HNNXBMFYSA-N 0 3 300.446 3.058 20 30 DGEDHN CC(C)(C)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001180127169 1099323241 /nfs/dbraw/zinc/32/32/41/1099323241.db2.gz QOHKINYJSHUAHK-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(F)c(C)c1 ZINC001273542932 1099545811 /nfs/dbraw/zinc/54/58/11/1099545811.db2.gz RHEQQMGXJMIFBC-IAGOWNOFSA-N 0 3 316.420 3.194 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1sc(C)nc1C ZINC001273546985 1099585599 /nfs/dbraw/zinc/58/55/99/1099585599.db2.gz VTZIIEWZFAAKFB-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001188040662 1099660658 /nfs/dbraw/zinc/66/06/58/1099660658.db2.gz UVXGREACZVRSDS-ULEBIONPSA-N 0 3 318.848 3.289 20 30 DGEDHN CCCCCCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1N(C)C ZINC001188019974 1099666850 /nfs/dbraw/zinc/66/68/50/1099666850.db2.gz LDHMQLSFUIURNA-HOTGVXAUSA-N 0 3 318.527 3.139 20 30 DGEDHN C=C(C)C[N@@H+](CC)Cc1cc(O)c(Br)cc1[O-] ZINC001236772067 1099775467 /nfs/dbraw/zinc/77/54/67/1099775467.db2.gz XMKYWJQCWFQWTM-UHFFFAOYSA-N 0 3 300.196 3.258 20 30 DGEDHN C=C(C)C[N@H+](CC)Cc1cc(O)c(Br)cc1[O-] ZINC001236772067 1099775475 /nfs/dbraw/zinc/77/54/75/1099775475.db2.gz XMKYWJQCWFQWTM-UHFFFAOYSA-N 0 3 300.196 3.258 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001188821855 1099871690 /nfs/dbraw/zinc/87/16/90/1099871690.db2.gz VSFRTJJLBZLLPH-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N(C)CCN(C)C)c1 ZINC001189251882 1099992255 /nfs/dbraw/zinc/99/22/55/1099992255.db2.gz NRUZFPYAMRNCJL-UHFFFAOYSA-N 0 3 303.450 3.158 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001189269900 1100014189 /nfs/dbraw/zinc/01/41/89/1100014189.db2.gz MNVXMPPIHPJPDS-PBHICJAKSA-N 0 3 304.409 3.386 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001189319107 1100023552 /nfs/dbraw/zinc/02/35/52/1100023552.db2.gz UIWHQPVGOARBFB-MRXNPFEDSA-N 0 3 304.409 3.133 20 30 DGEDHN Cn1cc(CN2CCC3(CCNc4ccccc43)CC2)cc1C#N ZINC001237318662 1100075353 /nfs/dbraw/zinc/07/53/53/1100075353.db2.gz HLXUWXRSMYSPGI-UHFFFAOYSA-N 0 3 320.440 3.246 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488513 1100141460 /nfs/dbraw/zinc/14/14/60/1100141460.db2.gz MPEPTAPJIXFPMS-VQIMIIECSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488513 1100141464 /nfs/dbraw/zinc/14/14/64/1100141464.db2.gz MPEPTAPJIXFPMS-VQIMIIECSA-N 0 3 317.429 3.027 20 30 DGEDHN Cc1ccnc2cccc(CN3CCC4SC(=O)C=C4C3)c12 ZINC001237624568 1100191905 /nfs/dbraw/zinc/19/19/05/1100191905.db2.gz KRWJMSXDFCJOBA-INIZCTEOSA-N 0 3 310.422 3.317 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C)C2 ZINC001110421901 1100199492 /nfs/dbraw/zinc/19/94/92/1100199492.db2.gz PQEWZLQSBNQRQD-OAGGEKHMSA-N 0 3 317.433 3.065 20 30 DGEDHN NC(=O)c1cccc(CN2CCC(C#Cc3ccccc3)CC2)c1 ZINC001237697522 1100216868 /nfs/dbraw/zinc/21/68/68/1100216868.db2.gz OAAPGZNMNCPORS-UHFFFAOYSA-N 0 3 318.420 3.049 20 30 DGEDHN C=CCCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001190331514 1100245597 /nfs/dbraw/zinc/24/55/97/1100245597.db2.gz HOULJAHQNZFUAO-UHFFFAOYSA-N 0 3 303.406 3.463 20 30 DGEDHN Cc1sccc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001237972985 1100308776 /nfs/dbraw/zinc/30/87/76/1100308776.db2.gz VWYHWBXNKLZODV-UHFFFAOYSA-N 0 3 312.442 3.036 20 30 DGEDHN C#CCNC[C@H](NC(=O)/C(C)=C\C)c1ccc2ccccc2c1 ZINC001278207119 1100403075 /nfs/dbraw/zinc/40/30/75/1100403075.db2.gz PIWOBULJAJVJQL-JLIAUEDWSA-N 0 3 306.409 3.186 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCCC(C)(C)C)C1 ZINC001191793262 1100522970 /nfs/dbraw/zinc/52/29/70/1100522970.db2.gz IELRKSKFDWOFNF-IAGOWNOFSA-N 0 3 324.509 3.111 20 30 DGEDHN CCc1cc(CN2CCC3(C[C@H](F)CO3)CC2)ccc1C#N ZINC001238770162 1100524759 /nfs/dbraw/zinc/52/47/59/1100524759.db2.gz YROMWMKWTAQCGH-KRWDZBQOSA-N 0 3 302.393 3.214 20 30 DGEDHN CCc1cc(CN2CC[C@H](Oc3ccncc3C)C2)ccc1C#N ZINC001238773433 1100525772 /nfs/dbraw/zinc/52/57/72/1100525772.db2.gz YYZXQEVLWGPLOR-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(n1)OCCNC2 ZINC001238839304 1100543105 /nfs/dbraw/zinc/54/31/05/1100543105.db2.gz DZCLHIUPOOSXED-UHFFFAOYSA-N 0 3 319.286 3.121 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001192072307 1100572249 /nfs/dbraw/zinc/57/22/49/1100572249.db2.gz CUSMRKRUHKUOOB-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN CCCCCCCCCNC(=S)NC[C@@H]1CCNC[C@H]1F ZINC001239374417 1100647187 /nfs/dbraw/zinc/64/71/87/1100647187.db2.gz WCKMCVIMPVYGAM-LSDHHAIUSA-N 0 3 317.518 3.149 20 30 DGEDHN C[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001192824051 1100666773 /nfs/dbraw/zinc/66/67/73/1100666773.db2.gz OZAHOTNHZNGKSA-APPDUMDISA-N 0 3 302.324 3.221 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110459538 1100745528 /nfs/dbraw/zinc/74/55/28/1100745528.db2.gz PSFALHFAIHWQBC-AQNXPRMDSA-N 0 3 324.468 3.410 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(OCCCC)cc2)C1 ZINC001193981109 1100849165 /nfs/dbraw/zinc/84/91/65/1100849165.db2.gz FPWPPXQNYWEFRT-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194182636 1100884860 /nfs/dbraw/zinc/88/48/60/1100884860.db2.gz BYVPOBXTCBUDTN-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN N#Cc1cc(-c2cncc([C@@H]3CN4CCC3CC4)n2)ccc1Cl ZINC001240401030 1100977320 /nfs/dbraw/zinc/97/73/20/1100977320.db2.gz HRMLNAICJFBNLI-OAHLLOKOSA-N 0 3 324.815 3.478 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC001194777827 1101000536 /nfs/dbraw/zinc/00/05/36/1101000536.db2.gz LQWMXZGPDBPRKF-UHFFFAOYSA-N 0 3 321.465 3.410 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195173557 1101092640 /nfs/dbraw/zinc/09/26/40/1101092640.db2.gz BRLFJYJFFGKPMI-QGZVFWFLSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2ccc(C)c(C)c2)CC1 ZINC001195226192 1101102050 /nfs/dbraw/zinc/10/20/50/1101102050.db2.gz NVFRAMQHPGHPFR-UHFFFAOYSA-N 0 3 300.446 3.304 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cc(C)sn2)CC1 ZINC001195625579 1101165488 /nfs/dbraw/zinc/16/54/88/1101165488.db2.gz NCVQIVMQBIEOJF-UHFFFAOYSA-N 0 3 321.490 3.346 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195755132 1101189029 /nfs/dbraw/zinc/18/90/29/1101189029.db2.gz YZFLBOHZIUVVDN-LJQANCHMSA-N 0 3 312.457 3.331 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001196011141 1101235656 /nfs/dbraw/zinc/23/56/56/1101235656.db2.gz ZSBMWAOVOZVESL-MSOLQXFVSA-N 0 3 324.509 3.449 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](CCC)OC)CC1 ZINC001196742154 1101380562 /nfs/dbraw/zinc/38/05/62/1101380562.db2.gz AMOSZASYPONALK-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196831398 1101402111 /nfs/dbraw/zinc/40/21/11/1101402111.db2.gz QIRUFODWWUANEU-CVEARBPZSA-N 0 3 320.502 3.283 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196854763 1101418585 /nfs/dbraw/zinc/41/85/85/1101418585.db2.gz TWWYZLBFVUBAME-DLBZAZTESA-N 0 3 304.478 3.479 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2conc2C)CC1 ZINC001197007698 1101457357 /nfs/dbraw/zinc/45/73/57/1101457357.db2.gz ZVOHUDOVROIOFK-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001197203751 1101496443 /nfs/dbraw/zinc/49/64/43/1101496443.db2.gz WVHSOKQMQWTENV-IAGOWNOFSA-N 0 3 310.482 3.059 20 30 DGEDHN N#Cc1c[nH]c2ncnc(C3=CCN(Cc4ccccc4)CC3)c12 ZINC001241500576 1101514687 /nfs/dbraw/zinc/51/46/87/1101514687.db2.gz PSNYGHYDTJRFMJ-UHFFFAOYSA-N 0 3 315.380 3.119 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(Cl)cc1 ZINC001197355931 1101540474 /nfs/dbraw/zinc/54/04/74/1101540474.db2.gz XNYTYNVETDTVOT-AWEZNQCLSA-N 0 3 309.866 3.277 20 30 DGEDHN CN(C)Cc1cccc(NC(=S)Nc2cccc(C#N)c2)c1 ZINC001197708911 1101647815 /nfs/dbraw/zinc/64/78/15/1101647815.db2.gz MOCCXVNHYXLOPJ-UHFFFAOYSA-N 0 3 310.426 3.429 20 30 DGEDHN CCN1CCN(c2ccc(-c3nccc(C)c3C#N)cc2)CC1 ZINC001241739341 1101670978 /nfs/dbraw/zinc/67/09/78/1101670978.db2.gz YKZNAPGAWZSSCI-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN CCN1CCN(c2ccc(-c3ncc(C)cc3/C=N/O)cc2)CC1 ZINC001241739812 1101671692 /nfs/dbraw/zinc/67/16/92/1101671692.db2.gz DXSANBFKGBWUAO-KGENOOAVSA-N 0 3 324.428 3.007 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2oc(CCC)nc2C)CC1 ZINC001197825061 1101683538 /nfs/dbraw/zinc/68/35/38/1101683538.db2.gz XFFONLJFZWTTLV-UHFFFAOYSA-N 0 3 319.449 3.050 20 30 DGEDHN CCCCCCCCC(=O)N1CCCN([C@@H](C)COC)CC1 ZINC001197928816 1101703127 /nfs/dbraw/zinc/70/31/27/1101703127.db2.gz UPSKTTRVGIIIAM-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN CCCCCCCCCC(=O)N1CCCN(CCCO)CC1 ZINC001197928651 1101703493 /nfs/dbraw/zinc/70/34/93/1101703493.db2.gz KRMHJMGFMXXBSQ-UHFFFAOYSA-N 0 3 312.498 3.044 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C(CC)CC)C2 ZINC001278336593 1101724440 /nfs/dbraw/zinc/72/44/40/1101724440.db2.gz RJRSBRGBWYCWEE-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCO[C@@H](C)C(=O)N1CCCN(CCCC2CCCC2)CC1 ZINC001198343877 1101825437 /nfs/dbraw/zinc/82/54/37/1101825437.db2.gz PALYTZIZALTQKM-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)C(C)(C)F)c1ccccc1OC ZINC001198480716 1101887519 /nfs/dbraw/zinc/88/75/19/1101887519.db2.gz BNSRCNUSCQBSNM-OAHLLOKOSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)[C@H](C)CC)c1ccccc1OC ZINC001198539780 1101901218 /nfs/dbraw/zinc/90/12/18/1101901218.db2.gz DJIUEEADAUJDPV-NVXWUHKLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(c2cccc(Cl)c2C)CC1 ZINC001198541913 1101912285 /nfs/dbraw/zinc/91/22/85/1101912285.db2.gz QMRNZZKNVPAGPS-HNNXBMFYSA-N 0 3 308.853 3.098 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C1CC(C)C1)c1ccccc1OC ZINC001198658278 1101943939 /nfs/dbraw/zinc/94/39/39/1101943939.db2.gz VZLPURWDHHUHPQ-VMBOVVBDSA-N 0 3 316.445 3.064 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198705502 1101967599 /nfs/dbraw/zinc/96/75/99/1101967599.db2.gz JQORAOFRWLGNLR-VQTJNVASSA-N 0 3 322.408 3.055 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1F)C2 ZINC001110521562 1102010393 /nfs/dbraw/zinc/01/03/93/1102010393.db2.gz NERHQJPXTMIQMN-BNOWGMLFSA-N 0 3 308.422 3.189 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1OC ZINC001198843623 1102013201 /nfs/dbraw/zinc/01/32/01/1102013201.db2.gz UXTTXMQCARFIGB-DOTOQJQBSA-N 0 3 322.424 3.012 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](NCC)c2ccccc2OC)CCC1 ZINC001198885282 1102022750 /nfs/dbraw/zinc/02/27/50/1102022750.db2.gz CSSQQOHYJGARAN-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN CC1(C)CC(=O)C=C(c2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001242316721 1102048750 /nfs/dbraw/zinc/04/87/50/1102048750.db2.gz WKGULEMMHCRGPE-IBGZPJMESA-N 0 3 324.424 3.373 20 30 DGEDHN Cc1cc(C#N)cc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)c1 ZINC001242476322 1102156316 /nfs/dbraw/zinc/15/63/16/1102156316.db2.gz AWUGHWXOTFUHDS-UHFFFAOYSA-N 0 3 322.412 3.372 20 30 DGEDHN Cc1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c(C#N)c1 ZINC001242593207 1102231399 /nfs/dbraw/zinc/23/13/99/1102231399.db2.gz KHZVKPZISGCJBI-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN C#Cc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c1 ZINC001273792707 1102233520 /nfs/dbraw/zinc/23/35/20/1102233520.db2.gz XRGSFWJYLQJMFS-WOJBJXKFSA-N 0 3 322.452 3.176 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001493124160 1102353922 /nfs/dbraw/zinc/35/39/22/1102353922.db2.gz OFGAENFYWCIEGX-QGZVFWFLSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@@H]1C ZINC001278354276 1102395583 /nfs/dbraw/zinc/39/55/83/1102395583.db2.gz BBDOETSYBISYIE-JSGCOSHPSA-N 0 3 308.372 3.010 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202085510 1102822422 /nfs/dbraw/zinc/82/24/22/1102822422.db2.gz UXKSQKIVCCTNIC-UONHYXGFSA-N 0 3 319.276 3.344 20 30 DGEDHN C#C[C@H](NCc1cc2nc(Cl)ccc2s1)[C@@H]1CCCO1 ZINC001202074802 1102834726 /nfs/dbraw/zinc/83/47/26/1102834726.db2.gz VOLOZIOCSGFDRF-AAEUAGOBSA-N 0 3 306.818 3.220 20 30 DGEDHN C=CCCCC(=O)N1CCC(NCc2c(F)cccc2F)CC1 ZINC001202266371 1102903836 /nfs/dbraw/zinc/90/38/36/1102903836.db2.gz BFLGNCMKFZLEMP-UHFFFAOYSA-N 0 3 322.399 3.402 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202341061 1102933292 /nfs/dbraw/zinc/93/32/92/1102933292.db2.gz YESJQALYFAVJFQ-WQTVUKCASA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H](C)c1ccccc1)C2 ZINC001111106953 1103047739 /nfs/dbraw/zinc/04/77/39/1103047739.db2.gz CECLRNXIJYUOAK-AFYVEPGGSA-N 0 3 324.468 3.315 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001488655193 1103088654 /nfs/dbraw/zinc/08/86/54/1103088654.db2.gz MOMQXTBICSCPAR-UONOGXRCSA-N 0 3 322.399 3.466 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1nccc2ccccc21 ZINC001488656789 1103091378 /nfs/dbraw/zinc/09/13/78/1103091378.db2.gz ROJGVVXRWSIVCZ-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001488667310 1103097978 /nfs/dbraw/zinc/09/79/78/1103097978.db2.gz OESWIWDQKRDSHN-LSDHHAIUSA-N 0 3 319.449 3.299 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](C)C1 ZINC001325703478 1103105331 /nfs/dbraw/zinc/10/53/31/1103105331.db2.gz YBNBTUUAHCZMJV-HKUYNNGSSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C2 ZINC001111271200 1103151970 /nfs/dbraw/zinc/15/19/70/1103151970.db2.gz GZVDBWCNSRKLOL-VQHPVUNQSA-N 0 3 304.478 3.194 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001325931613 1103166272 /nfs/dbraw/zinc/16/62/72/1103166272.db2.gz GKGOWSYUPLPLBG-JKSUJKDBSA-N 0 3 304.459 3.137 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)CCCCC(C)C)[C@@H]2C1 ZINC001325946431 1103169841 /nfs/dbraw/zinc/16/98/41/1103169841.db2.gz RUBAYXQJBSQEEM-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(CN(C)C)cc1F ZINC001326040761 1103190967 /nfs/dbraw/zinc/19/09/67/1103190967.db2.gz ZQDIPYTXHJWMMJ-QGZVFWFLSA-N 0 3 308.397 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2sc(C)nc2C)C[C@H]1C ZINC001278377650 1103249676 /nfs/dbraw/zinc/24/96/76/1103249676.db2.gz HLUBMXXJKUUYJZ-IUODEOHRSA-N 0 3 321.490 3.195 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1F)C2 ZINC001111392172 1103259084 /nfs/dbraw/zinc/25/90/84/1103259084.db2.gz XOHHNLUKSCQDPO-NXHRZFHOSA-N 0 3 316.420 3.056 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](OCC)C2CCCC2)[C@H]1CC ZINC001489127413 1103283448 /nfs/dbraw/zinc/28/34/48/1103283448.db2.gz XQIYMPGEMBHZNO-KSZLIROESA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](OC)C2CCCCC2)[C@H]1CC ZINC001489150006 1103302399 /nfs/dbraw/zinc/30/23/99/1103302399.db2.gz MJPSCOLIZPEVPA-KSZLIROESA-N 0 3 322.493 3.127 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(F)cc2C)cc1 ZINC001326489427 1103338728 /nfs/dbraw/zinc/33/87/28/1103338728.db2.gz HZILNYLEFSGVKG-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)Cc2ccccc2)[C@H]1C ZINC001489300026 1103343698 /nfs/dbraw/zinc/34/36/98/1103343698.db2.gz GIEUWAZHKVDYPA-AEFFLSMTSA-N 0 3 314.473 3.410 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccncc2C)CCCCC1 ZINC001115525847 1103348708 /nfs/dbraw/zinc/34/87/08/1103348708.db2.gz MUVRWQZVZHHRIW-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)c(F)c1 ZINC001489326481 1103361733 /nfs/dbraw/zinc/36/17/33/1103361733.db2.gz UANCQHZXJZFLLM-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)C=C(C)C)C2 ZINC001489334177 1103365070 /nfs/dbraw/zinc/36/50/70/1103365070.db2.gz LGBVDFWWIBRFSS-UHFFFAOYSA-N 0 3 319.474 3.050 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)C)CC(C)(C)C1 ZINC001489349352 1103375481 /nfs/dbraw/zinc/37/54/81/1103375481.db2.gz GGWCQMWCRMEQJJ-MRXNPFEDSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001110601169 1103384388 /nfs/dbraw/zinc/38/43/88/1103384388.db2.gz MMIAHQBXUZORQD-ASEORRQLSA-N 0 3 316.848 3.235 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001114752490 1103426439 /nfs/dbraw/zinc/42/64/39/1103426439.db2.gz FQDLATJOXHNRTF-YRWFTTLQSA-N 0 3 324.424 3.336 20 30 DGEDHN Cc1nc(N2CCCCC2)sc1CNCC1(CC#N)CC1 ZINC001326916880 1103479158 /nfs/dbraw/zinc/47/91/58/1103479158.db2.gz UGLZXZYDCQRBLW-UHFFFAOYSA-N 0 3 304.463 3.225 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1cccc(Cl)c1 ZINC001493003711 1103485516 /nfs/dbraw/zinc/48/55/16/1103485516.db2.gz CYVPDLJRMVTHBP-UHFFFAOYSA-N 0 3 320.864 3.472 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C=C)c1ccccc1 ZINC001276333030 1103505962 /nfs/dbraw/zinc/50/59/62/1103505962.db2.gz CIAPEZMBYZDUCU-UYAOXDASSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC001327154948 1103558723 /nfs/dbraw/zinc/55/87/23/1103558723.db2.gz BKNHNPMPHYTKGU-ROUUACIJSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H](C=C)c2ccccc2)CC1 ZINC001490421277 1103617783 /nfs/dbraw/zinc/61/77/83/1103617783.db2.gz QCNCDOCLHDSOAN-QGZVFWFLSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114895868 1103618304 /nfs/dbraw/zinc/61/83/04/1103618304.db2.gz HAMVIYZMUPZQQK-UWLBVIAISA-N 0 3 324.468 3.349 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001490537415 1103639045 /nfs/dbraw/zinc/63/90/45/1103639045.db2.gz UZAFCXIQZYNEGN-GOSISDBHSA-N 0 3 323.440 3.052 20 30 DGEDHN C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1CC[C@@H](C)F ZINC001327506652 1103665639 /nfs/dbraw/zinc/66/56/39/1103665639.db2.gz HJXZRVKOBZRJDM-CRAIPNDOSA-N 0 3 318.436 3.244 20 30 DGEDHN Cc1c(C#N)cccc1-c1cc(OC2CCN(C)CC2)ccn1 ZINC001244816575 1103698990 /nfs/dbraw/zinc/69/89/90/1103698990.db2.gz NTFOGKFLRHLTOI-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001096106299 1103758117 /nfs/dbraw/zinc/75/81/17/1103758117.db2.gz STOYKMGWBASSTG-AGIUHOORSA-N 0 3 310.850 3.313 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCCCC1)C2 ZINC001096130293 1103763966 /nfs/dbraw/zinc/76/39/66/1103763966.db2.gz STKUWJBCOKGRHJ-SQNIBIBYSA-N 0 3 316.489 3.338 20 30 DGEDHN C[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001327923141 1103766927 /nfs/dbraw/zinc/76/69/27/1103766927.db2.gz GQSLDPIGSNMLTC-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1coc3ccccc13)C2 ZINC001096239465 1103790226 /nfs/dbraw/zinc/79/02/26/1103790226.db2.gz HENNTDCSRHHBAJ-NJAFHUGGSA-N 0 3 324.424 3.273 20 30 DGEDHN C=CCOC[C@@H](O)CNCc1cc(C(F)(F)F)ccc1Cl ZINC001252485343 1103805476 /nfs/dbraw/zinc/80/54/76/1103805476.db2.gz JWOMAPQTGICVFJ-LBPRGKRZSA-N 0 3 323.742 3.012 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001328080183 1103833733 /nfs/dbraw/zinc/83/37/33/1103833733.db2.gz DIQQCTDXXZAYMM-INIZCTEOSA-N 0 3 318.486 3.268 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC/C=C/c2ccccc2)C1 ZINC001278399032 1103877761 /nfs/dbraw/zinc/87/77/61/1103877761.db2.gz SPLKMNILTCRWIF-PWNOGMSSSA-N 0 3 310.441 3.082 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCc3ccccc31)C2 ZINC001096641877 1103893491 /nfs/dbraw/zinc/89/34/91/1103893491.db2.gz GBGLYPQRMMKLFQ-BOFXEDATSA-N 0 3 324.468 3.188 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CC(C)(F)F ZINC001328467832 1103957695 /nfs/dbraw/zinc/95/76/95/1103957695.db2.gz GYOFNYUECLNEOP-MRXNPFEDSA-N 0 3 322.399 3.323 20 30 DGEDHN CC(C)Oc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001137136024 1104004128 /nfs/dbraw/zinc/00/41/28/1104004128.db2.gz JHVGDMYIQQLIJY-INIZCTEOSA-N 0 3 303.427 3.248 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCc2ccccc21 ZINC001328732792 1104045049 /nfs/dbraw/zinc/04/50/49/1104045049.db2.gz IZCLTWPGJZRQAE-HKUYNNGSSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CC2(C1)C[C@H](F)CS2 ZINC001253238261 1104051990 /nfs/dbraw/zinc/05/19/90/1104051990.db2.gz BYGACYRBEZTZLP-GJZGRUSLSA-N 0 3 301.471 3.403 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C(/C)C2CC2)C12CCC2 ZINC001202574523 1104063338 /nfs/dbraw/zinc/06/33/38/1104063338.db2.gz QIQRIRJUROMBCZ-DLTMEVEPSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccccc2CC)C1 ZINC001328904269 1104097190 /nfs/dbraw/zinc/09/71/90/1104097190.db2.gz IKEBAVDZXSEIDS-UHFFFAOYSA-N 0 3 306.837 3.100 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)cc1F ZINC001328995014 1104117613 /nfs/dbraw/zinc/11/76/13/1104117613.db2.gz JCMOBPMCUDYHEJ-NEPJUHHUSA-N 0 3 312.816 3.428 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@@H](C)[C@@H](C)NC(=O)C#CC1CC1 ZINC001329031635 1104131146 /nfs/dbraw/zinc/13/11/46/1104131146.db2.gz CIGGXJFAJKXSGF-UONOGXRCSA-N 0 3 318.848 3.045 20 30 DGEDHN Cc1ccc(C#N)c(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1 ZINC001245603947 1104147001 /nfs/dbraw/zinc/14/70/01/1104147001.db2.gz PDGSMTXCMWHQSU-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN C[C@@H](NC(=O)C(C)(C)C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001329175115 1104180682 /nfs/dbraw/zinc/18/06/82/1104180682.db2.gz YRAGZXJXOQWACQ-UONOGXRCSA-N 0 3 320.864 3.220 20 30 DGEDHN Cc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001202740723 1104200235 /nfs/dbraw/zinc/20/02/35/1104200235.db2.gz GROLVFWAEKTVFA-CQSZACIVSA-N 0 3 302.399 3.109 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cc(F)cc2F ZINC001329397261 1104246757 /nfs/dbraw/zinc/24/67/57/1104246757.db2.gz OZZQRRQCPBXRHN-SJCJKPOMSA-N 0 3 322.399 3.355 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H]1CNCc2ccsc21 ZINC001245985532 1104347663 /nfs/dbraw/zinc/34/76/63/1104347663.db2.gz RAYWZEMQSITXNN-HOTGVXAUSA-N 0 3 308.491 3.370 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC001274375541 1104365386 /nfs/dbraw/zinc/36/53/86/1104365386.db2.gz UHRXDYJXJCMPLM-UHFFFAOYSA-N 0 3 321.490 3.216 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001320035926 1104366753 /nfs/dbraw/zinc/36/67/53/1104366753.db2.gz ZXDQLPAEOUEQDZ-UHFFFAOYSA-N 0 3 300.446 3.079 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1C[C@@H]1C ZINC001329887885 1104409184 /nfs/dbraw/zinc/40/91/84/1104409184.db2.gz QBFFSKBYEBRXRK-XEZPLFJOSA-N 0 3 319.474 3.040 20 30 DGEDHN CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001274573146 1104411627 /nfs/dbraw/zinc/41/16/27/1104411627.db2.gz UNUCEXLQMAVYRU-QZTJIDSGSA-N 0 3 313.445 3.145 20 30 DGEDHN Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@@H](C)C#N)cs1 ZINC001329909259 1104418571 /nfs/dbraw/zinc/41/85/71/1104418571.db2.gz PPMFETPCSSNVJA-BBRMVZONSA-N 0 3 319.474 3.077 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc4occc43)CC2)C1=O ZINC001274627008 1104425497 /nfs/dbraw/zinc/42/54/97/1104425497.db2.gz RLXKMOOODDZWQM-UHFFFAOYSA-N 0 3 324.424 3.433 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001329952905 1104435527 /nfs/dbraw/zinc/43/55/27/1104435527.db2.gz MTRHKFVWOQVCJW-IEBWSBKVSA-N 0 3 314.473 3.412 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1)CC ZINC001274721172 1104469234 /nfs/dbraw/zinc/46/92/34/1104469234.db2.gz ABTLFUKFDATFJR-CYBMUJFWSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1ccccc1F ZINC001274803820 1104497839 /nfs/dbraw/zinc/49/78/39/1104497839.db2.gz KSYOAQXKIBJCFJ-STQMWFEESA-N 0 3 312.816 3.166 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(C3CC3)cc2)C1=O ZINC001274816425 1104500813 /nfs/dbraw/zinc/50/08/13/1104500813.db2.gz LMRCAFJKHUZMAL-HXUWFJFHSA-N 0 3 310.441 3.317 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001330202533 1104506172 /nfs/dbraw/zinc/50/61/72/1104506172.db2.gz JWTJOUPMBDIZEV-KRWDZBQOSA-N 0 3 312.457 3.063 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCOCC(C)C)CC1(C)C ZINC001330224884 1104512937 /nfs/dbraw/zinc/51/29/37/1104512937.db2.gz WGNQSZVWPLQQKR-MRXNPFEDSA-N 0 3 324.509 3.088 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C(C)(C)C1 ZINC001330244877 1104518541 /nfs/dbraw/zinc/51/85/41/1104518541.db2.gz ONFHAXCNAHJXFI-IRXDYDNUSA-N 0 3 322.468 3.145 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cccnc2)CC1 ZINC001274941705 1104545527 /nfs/dbraw/zinc/54/55/27/1104545527.db2.gz RIQNULVKXMSAHW-UHFFFAOYSA-N 0 3 321.852 3.008 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3(CCC)CCC3)C[C@]2(C)C1 ZINC001330528865 1104569257 /nfs/dbraw/zinc/56/92/57/1104569257.db2.gz KHBNEAFKWDPCLY-KDURUIRLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001330607549 1104591796 /nfs/dbraw/zinc/59/17/96/1104591796.db2.gz ARHXDEZOLYIVSA-XYJFISCASA-N 0 3 318.848 3.384 20 30 DGEDHN C[C@@H]1CCc2nc(CN[C@@H]3Cc4ccc(C#N)cc4C3)sc2C1 ZINC001330637876 1104601570 /nfs/dbraw/zinc/60/15/70/1104601570.db2.gz BXGCWPVWGSJBDY-MLGOLLRUSA-N 0 3 323.465 3.397 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001275081631 1104613557 /nfs/dbraw/zinc/61/35/57/1104613557.db2.gz XTQHPSYUGXYWMP-HUUCEWRRSA-N 0 3 322.399 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1cccc(C)c1 ZINC001275128511 1104639748 /nfs/dbraw/zinc/63/97/48/1104639748.db2.gz HTROAPWOZJTSMV-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC001275142616 1104646502 /nfs/dbraw/zinc/64/65/02/1104646502.db2.gz XHIBBCZSNJNNFA-UONOGXRCSA-N 0 3 306.837 3.155 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCC3CCCCC3)CCC[C@@H]12 ZINC001278467518 1104696287 /nfs/dbraw/zinc/69/62/87/1104696287.db2.gz RBKQJXPGUXWJTR-MJGOQNOKSA-N 0 3 302.462 3.093 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001275273701 1104701891 /nfs/dbraw/zinc/70/18/91/1104701891.db2.gz HMJBUBDXLXEBFB-STQMWFEESA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001275460172 1104766804 /nfs/dbraw/zinc/76/68/04/1104766804.db2.gz JOIMVFXPOXXMOS-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001275480047 1104771930 /nfs/dbraw/zinc/77/19/30/1104771930.db2.gz FJGXXXCEGJQLGQ-VXGBXAGGSA-N 0 3 309.479 3.099 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)cc1 ZINC001275551877 1104804231 /nfs/dbraw/zinc/80/42/31/1104804231.db2.gz JCUOSLYTEDUWPQ-ZWKOTPCHSA-N 0 3 320.436 3.143 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001276010552 1104988171 /nfs/dbraw/zinc/98/81/71/1104988171.db2.gz HHXDYRZXDDCPHW-PBHICJAKSA-N 0 3 306.425 3.188 20 30 DGEDHN C=CCCCCCCN1CC2(C1)CN(Cc1nccn1CC)C2 ZINC001276041392 1105003730 /nfs/dbraw/zinc/00/37/30/1105003730.db2.gz KRTHTMBRERXWCL-UHFFFAOYSA-N 0 3 316.493 3.157 20 30 DGEDHN CC#CCCCC(=O)N(C)CCCNCc1ccc(F)cc1F ZINC001276179697 1105039195 /nfs/dbraw/zinc/03/91/95/1105039195.db2.gz LXVUHWRTADTHKC-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C(C)C)C2 ZINC001095525598 1105064035 /nfs/dbraw/zinc/06/40/35/1105064035.db2.gz YAIOIWFIAXDBBX-KBMXLJTQSA-N 0 3 317.433 3.099 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001278505865 1105111794 /nfs/dbraw/zinc/11/17/94/1105111794.db2.gz LZEQWBUUPSSPHO-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccc(C)cc1)C2 ZINC001110977925 1105132831 /nfs/dbraw/zinc/13/28/31/1105132831.db2.gz HJAWYLRNWKALFC-AQNXPRMDSA-N 0 3 324.468 3.063 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@@H](C)F)CC1 ZINC001110987876 1105135141 /nfs/dbraw/zinc/13/51/41/1105135141.db2.gz JALKQOUWBFALBB-FPCVCCKLSA-N 0 3 308.441 3.202 20 30 DGEDHN CCc1nnc(C2CCN(Cc3ccc(C#N)cc3CC)CC2)o1 ZINC001248752148 1105155557 /nfs/dbraw/zinc/15/55/57/1105155557.db2.gz ZKAGENCGCDQZAI-UHFFFAOYSA-N 0 3 324.428 3.446 20 30 DGEDHN FC(F)(F)c1ccc2c(c1)n[nH]c2CN1CCC(S)CC1 ZINC001248847048 1105178407 /nfs/dbraw/zinc/17/84/07/1105178407.db2.gz VPAXYTFJMFBTRQ-UHFFFAOYSA-N 0 3 315.364 3.476 20 30 DGEDHN CN(CCCc1ccccc1)Cc1cnn2ccc(C#N)cc12 ZINC001249099338 1105224983 /nfs/dbraw/zinc/22/49/83/1105224983.db2.gz MXUPNIFVFOJKHE-UHFFFAOYSA-N 0 3 304.397 3.271 20 30 DGEDHN N#Cc1ccn2ncc(CN3CCC4(CC[C@H](F)C4)CC3)c2c1 ZINC001249113206 1105228225 /nfs/dbraw/zinc/22/82/25/1105228225.db2.gz FQLIHXVLLDBHFD-INIZCTEOSA-N 0 3 312.392 3.310 20 30 DGEDHN CC1(C)CCC2(CCN(Cc3cnn4ccc(C#N)cc34)CC2)O1 ZINC001249118837 1105228480 /nfs/dbraw/zinc/22/84/80/1105228480.db2.gz LNLMDHNSOCIQRY-UHFFFAOYSA-N 0 3 324.428 3.130 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(C(C)(C)C)ccn3)no2)CCCN1 ZINC001249351768 1105272437 /nfs/dbraw/zinc/27/24/37/1105272437.db2.gz HRLSXJZOKNWGJI-GOSISDBHSA-N 0 3 310.401 3.031 20 30 DGEDHN N#Cc1ccc2cc(CN3CCC4(C[C@H]4CCO)CC3)[nH]c2c1 ZINC001249426797 1105285119 /nfs/dbraw/zinc/28/51/19/1105285119.db2.gz HHZQUTZYVIMYOE-MRXNPFEDSA-N 0 3 309.413 3.024 20 30 DGEDHN CCCCCN1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249428772 1105285266 /nfs/dbraw/zinc/28/52/66/1105285266.db2.gz AMFXRNXCVUHPBP-UHFFFAOYSA-N 0 3 310.445 3.347 20 30 DGEDHN N#Cc1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)c(F)c1F ZINC001249558775 1105314030 /nfs/dbraw/zinc/31/40/30/1105314030.db2.gz BCOSKKWDIMANSQ-CQSZACIVSA-N 0 3 319.355 3.017 20 30 DGEDHN N#CC1(CN[C@H]2Cc3ccc(Br)cc3C2)CCC1 ZINC001254262182 1105362534 /nfs/dbraw/zinc/36/25/34/1105362534.db2.gz XWCZAVRIHRGHKO-AWEZNQCLSA-N 0 3 305.219 3.200 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(C)c1)C2 ZINC001097760551 1105438332 /nfs/dbraw/zinc/43/83/32/1105438332.db2.gz QIRRMZICGHYGJJ-OIISXLGYSA-N 0 3 302.393 3.045 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@H](C)CC(F)(F)F)C2 ZINC001255653372 1105559378 /nfs/dbraw/zinc/55/93/78/1105559378.db2.gz NZULQIOIKTVANX-RDBSUJKOSA-N 0 3 307.356 3.153 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncsc1C(C)C)C2 ZINC001098195844 1105560970 /nfs/dbraw/zinc/56/09/70/1105560970.db2.gz DSBBEFRXGXYLNG-MCIONIFRSA-N 0 3 319.474 3.178 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C)s1)C2 ZINC001098343142 1105570534 /nfs/dbraw/zinc/57/05/34/1105570534.db2.gz WXJGWKRDQWBEBI-KFWWJZLASA-N 0 3 304.459 3.276 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001098339467 1105570574 /nfs/dbraw/zinc/57/05/74/1105570574.db2.gz DHLWLJYCWUGFNT-QRVBRYPASA-N 0 3 312.457 3.144 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1ccccc1)C2 ZINC001098349073 1105571479 /nfs/dbraw/zinc/57/14/79/1105571479.db2.gz FEWUAJPKEHCVSD-KURKYZTESA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C2 ZINC001098438691 1105576715 /nfs/dbraw/zinc/57/67/15/1105576715.db2.gz ZPRUJNSONBQKGJ-LIRZEXBASA-N 0 3 316.420 3.227 20 30 DGEDHN CC(C)c1ccc(OC[C@@H](O)CNCC#CC(C)(C)C)cc1 ZINC001250784141 1105582294 /nfs/dbraw/zinc/58/22/94/1105582294.db2.gz XSFUDODCEKXYEV-KRWDZBQOSA-N 0 3 303.446 3.189 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001098837673 1105607896 /nfs/dbraw/zinc/60/78/96/1105607896.db2.gz SIBRDCPQEMFKNP-GJYPPUQNSA-N 0 3 302.462 3.114 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOC1CCC1 ZINC001098965813 1105619267 /nfs/dbraw/zinc/61/92/67/1105619267.db2.gz BTIWJQNNUWYSJZ-MRXNPFEDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCCCC ZINC001098966123 1105620418 /nfs/dbraw/zinc/62/04/18/1105620418.db2.gz HJHSJHMTJFIXCI-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001098974828 1105621291 /nfs/dbraw/zinc/62/12/91/1105621291.db2.gz AFVIKYDLZVQYGN-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2C2CC2)C1 ZINC001098999718 1105625165 /nfs/dbraw/zinc/62/51/65/1105625165.db2.gz SHMGXEICIHDYJY-KXBFYZLASA-N 0 3 314.429 3.317 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001099047925 1105633913 /nfs/dbraw/zinc/63/39/13/1105633913.db2.gz DRONOEFJGWRAPS-GUYCJALGSA-N 0 3 322.811 3.249 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001099045444 1105634017 /nfs/dbraw/zinc/63/40/17/1105634017.db2.gz UIMSOWQUQKTTCT-GUYCJALGSA-N 0 3 322.811 3.249 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001099075672 1105638521 /nfs/dbraw/zinc/63/85/21/1105638521.db2.gz VCRWIOCZCFLTEV-HUUJSLGLSA-N 0 3 324.468 3.255 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099252502 1105661839 /nfs/dbraw/zinc/66/18/39/1105661839.db2.gz WUEQQHPTYWBZBU-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(CC)(CC)CC)C[C@H]1C(F)(F)F ZINC001099327836 1105669655 /nfs/dbraw/zinc/66/96/55/1105669655.db2.gz HAXKGWZBYDRWIU-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC001099334833 1105670798 /nfs/dbraw/zinc/67/07/98/1105670798.db2.gz OACBCGSCAHEFLD-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CC=C(C)C ZINC001099360588 1105673481 /nfs/dbraw/zinc/67/34/81/1105673481.db2.gz YXCXVHBJGMRKRE-DLBZAZTESA-N 0 3 322.493 3.151 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NNCC1CCOCC1 ZINC001251898633 1105707610 /nfs/dbraw/zinc/70/76/10/1105707610.db2.gz CSCFVJORIMSMHL-DCMWRAOISA-N 0 3 313.445 3.300 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001490962389 1105726730 /nfs/dbraw/zinc/72/67/30/1105726730.db2.gz WFJWOJMGTNMVIA-RBSFLKMASA-N 0 3 300.874 3.438 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001490970125 1105728749 /nfs/dbraw/zinc/72/87/49/1105728749.db2.gz WRYNXEDSYLXGCW-WZYMTQMTSA-N 0 3 310.457 3.448 20 30 DGEDHN CCCCCCCC[C@H](O)CNCC(=O)NC1CCCCC1 ZINC001252135621 1105749091 /nfs/dbraw/zinc/74/90/91/1105749091.db2.gz GNKJDJYSGCJVIY-KRWDZBQOSA-N 0 3 312.498 3.136 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCc1ccc(C(=O)OC)nc1 ZINC001252140562 1105749869 /nfs/dbraw/zinc/74/98/69/1105749869.db2.gz BNDCNTJHFAHKKM-MRXNPFEDSA-N 0 3 322.449 3.069 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001278652795 1105755093 /nfs/dbraw/zinc/75/50/93/1105755093.db2.gz GIAFKXGYLQXYPE-LJQANCHMSA-N 0 3 302.462 3.119 20 30 DGEDHN CCC1(C(=O)N2C[C@H](NCC#Cc3ccccc3)C(C)(C)C2)CC1 ZINC001278666309 1105779697 /nfs/dbraw/zinc/77/96/97/1105779697.db2.gz AQXUDCZXDGBUCU-SFHVURJKSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCOC[C@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC001252484299 1105784280 /nfs/dbraw/zinc/78/42/80/1105784280.db2.gz BFNGKKYVKNUOEU-ZYHUDNBSSA-N 0 3 304.217 3.208 20 30 DGEDHN C=C[C@@](C)(O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001252556940 1105792812 /nfs/dbraw/zinc/79/28/12/1105792812.db2.gz GKTDHJHTXDRJGV-OAHLLOKOSA-N 0 3 315.244 3.052 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001278671727 1105793042 /nfs/dbraw/zinc/79/30/42/1105793042.db2.gz BSLVZPPKXDOZKK-INIZCTEOSA-N 0 3 314.420 3.216 20 30 DGEDHN C=C[C@](C)(O)CNC1(c2ccccc2Br)CCC1 ZINC001252578524 1105797924 /nfs/dbraw/zinc/79/79/24/1105797924.db2.gz DWHPOJMHCUEWMB-AWEZNQCLSA-N 0 3 310.235 3.355 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001491292958 1105800133 /nfs/dbraw/zinc/80/01/33/1105800133.db2.gz OVZWDAZGZHWURB-NVXWUHKLSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccccc2F)CC1 ZINC001252603921 1105802142 /nfs/dbraw/zinc/80/21/42/1105802142.db2.gz IQOCOOUYUNNNRB-HNNXBMFYSA-N 0 3 305.393 3.048 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001252618075 1105806062 /nfs/dbraw/zinc/80/60/62/1105806062.db2.gz OTHSJNWJESXFFH-KDOFPFPSSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(C)c(Br)cn1 ZINC001252625675 1105807650 /nfs/dbraw/zinc/80/76/50/1105807650.db2.gz XWWSQRBAPVCGGV-RYUDHWBXSA-N 0 3 313.239 3.130 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491412372 1105822657 /nfs/dbraw/zinc/82/26/57/1105822657.db2.gz YSAYLDCAFTVWHY-ZBEGNZNMSA-N 0 3 308.372 3.013 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@](C)(CC)CCC)C1 ZINC001278681357 1105825973 /nfs/dbraw/zinc/82/59/73/1105825973.db2.gz DXPTZXOJONPGQN-RBUKOAKNSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001100841413 1105855068 /nfs/dbraw/zinc/85/50/68/1105855068.db2.gz WLNYOFYNBBEMCC-UHFFFAOYSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001100894924 1105862353 /nfs/dbraw/zinc/86/23/53/1105862353.db2.gz VOIIDICZIOBWHT-VQCLRJIVSA-N 0 3 306.837 3.027 20 30 DGEDHN CCCCCCCCCC[C@H](O)CN(C)CC(OC)OC ZINC001252984379 1105866248 /nfs/dbraw/zinc/86/62/48/1105866248.db2.gz HLEMPDHXVXUPCV-INIZCTEOSA-N 0 3 303.487 3.429 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCC(c2noc(C)n2)CC1 ZINC001253240060 1105907085 /nfs/dbraw/zinc/90/70/85/1105907085.db2.gz YBMNVRPJOKTSCQ-QGZVFWFLSA-N 0 3 321.465 3.445 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001253243592 1105909508 /nfs/dbraw/zinc/90/95/08/1105909508.db2.gz XPSZZODTPYKSQJ-MSOLQXFVSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001101347957 1105912359 /nfs/dbraw/zinc/91/23/59/1105912359.db2.gz REIVVVGVPUJTLE-HIFRSBDPSA-N 0 3 318.383 3.075 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)CCCCC)C[C@]2(C)C1 ZINC001101470272 1105920170 /nfs/dbraw/zinc/92/01/70/1105920170.db2.gz IQALKYLSZLECJF-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCCCC)C[C@]2(C)C1 ZINC001101471553 1105920756 /nfs/dbraw/zinc/92/07/56/1105920756.db2.gz XDUPOYYKFCZRPV-GGPKGHCWSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CCCC)C(C)C)C[C@]2(C)C1 ZINC001101481061 1105922236 /nfs/dbraw/zinc/92/22/36/1105922236.db2.gz YLRBXBPLUKBQRW-GGPKGHCWSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)NC[C@@H](O)COC(C)(C)C ZINC001253475638 1105944190 /nfs/dbraw/zinc/94/41/90/1105944190.db2.gz CUPJYGKCMGIZGL-HUUCEWRRSA-N 0 3 307.434 3.078 20 30 DGEDHN CCCCC[C@H](O)CN1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001253539192 1105954453 /nfs/dbraw/zinc/95/44/53/1105954453.db2.gz VDCOAHQKYOXEEY-ROUUACIJSA-N 0 3 316.445 3.343 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H](N2CCC(C#N)CC2)C1 ZINC001254197028 1106032257 /nfs/dbraw/zinc/03/22/57/1106032257.db2.gz YQYFKTUHZNNYGS-OAHLLOKOSA-N 0 3 307.438 3.012 20 30 DGEDHN Cc1cc(CN)nn1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345646 1106057171 /nfs/dbraw/zinc/05/71/71/1106057171.db2.gz DKBVXGAFBOKYRJ-UHFFFAOYSA-N 0 3 312.392 3.366 20 30 DGEDHN N#CC1(c2ccc(F)cc2)CCC(n2cnc3c2CNCC3)CC1 ZINC001254353455 1106059563 /nfs/dbraw/zinc/05/95/63/1106059563.db2.gz BMSOVQXKUWBLOA-UHFFFAOYSA-N 0 3 324.403 3.245 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1CCC2(CC2)CC1 ZINC001254443989 1106072101 /nfs/dbraw/zinc/07/21/01/1106072101.db2.gz MMSVISSINBONFP-QGZVFWFLSA-N 0 3 315.461 3.245 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001254556044 1106103568 /nfs/dbraw/zinc/10/35/68/1106103568.db2.gz IDMWDZKVGSGZDZ-HXUWFJFHSA-N 0 3 324.424 3.438 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(F)=C(C)C)C1 ZINC001102853324 1106112711 /nfs/dbraw/zinc/11/27/11/1106112711.db2.gz KKDFEGQVQBADMM-DGCLKSJQSA-N 0 3 302.821 3.077 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OC2CCOCC2)C1 ZINC001254646161 1106121008 /nfs/dbraw/zinc/12/10/08/1106121008.db2.gz KXKHOGPSURGKAQ-GDBMZVCRSA-N 0 3 300.402 3.026 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2[C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254660103 1106126076 /nfs/dbraw/zinc/12/60/76/1106126076.db2.gz FVYSPOCLZHUGLB-RKVPGOIHSA-N 0 3 319.449 3.154 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254661269 1106126116 /nfs/dbraw/zinc/12/61/16/1106126116.db2.gz RGSDUYZIKVHYKN-QLFBSQMISA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254661421 1106126132 /nfs/dbraw/zinc/12/61/32/1106126132.db2.gz SVWQSPRMSYLYNF-QLFBSQMISA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001254659959 1106126823 /nfs/dbraw/zinc/12/68/23/1106126823.db2.gz FKLZDUHHWHIPQI-KFWWJZLASA-N 0 3 307.438 3.010 20 30 DGEDHN COc1cccc(O[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC001254670089 1106129832 /nfs/dbraw/zinc/12/98/32/1106129832.db2.gz YYBZPTYSYQQNPO-RLFYNMQTSA-N 0 3 300.402 3.231 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001254678689 1106132812 /nfs/dbraw/zinc/13/28/12/1106132812.db2.gz GZKGRBRVEBVMDU-QPSCCSFWSA-N 0 3 301.821 3.295 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765916 1106139773 /nfs/dbraw/zinc/13/97/73/1106139773.db2.gz ZUCWHBKPAZPAIV-KGLIPLIRSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](N1CC[C@](C)(C#N)C1)C2 ZINC001254785720 1106141879 /nfs/dbraw/zinc/14/18/79/1106141879.db2.gz LBFCCZQBYHBULW-WMLDXEAASA-N 0 3 319.449 3.012 20 30 DGEDHN C#CCC1(C(=O)NCC[C@@H]2CN(CC(=C)Cl)C[C@H]2C)CCC1 ZINC001103076294 1106153210 /nfs/dbraw/zinc/15/32/10/1106153210.db2.gz ZEOIFYBGQRVIEH-GDBMZVCRSA-N 0 3 322.880 3.007 20 30 DGEDHN CC[C@H]1CN(c2cccc(CC#N)n2)CCN1Cc1ccccc1 ZINC001255103874 1106180264 /nfs/dbraw/zinc/18/02/64/1106180264.db2.gz RMEUBSPGCMSOLO-IBGZPJMESA-N 0 3 320.440 3.248 20 30 DGEDHN CC[C@H](CC#N)NCC1(Cc2cccc(OC)c2)CCOCC1 ZINC001255160556 1106194005 /nfs/dbraw/zinc/19/40/05/1106194005.db2.gz LICVEQGLHFVBMY-QGZVFWFLSA-N 0 3 316.445 3.316 20 30 DGEDHN CC[C@@H](CC#N)NC1(Cc2cccc(OC)c2)CCOCC1 ZINC001255160800 1106194400 /nfs/dbraw/zinc/19/44/00/1106194400.db2.gz QFBGSXNWOBCYSZ-INIZCTEOSA-N 0 3 302.418 3.069 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001255162548 1106194867 /nfs/dbraw/zinc/19/48/67/1106194867.db2.gz SIGSWGXOXRUVPX-ULQDDVLXSA-N 0 3 317.408 3.149 20 30 DGEDHN CC[C@@H](CC#N)N(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001255179089 1106200883 /nfs/dbraw/zinc/20/08/83/1106200883.db2.gz LYLRNAOPKNKOAA-KKUMJFAQSA-N 0 3 309.454 3.446 20 30 DGEDHN CCOC(=O)[C@@H]1CCC[C@H](N2CCc3cc(C#N)ccc3C2)C1 ZINC001255358811 1106231729 /nfs/dbraw/zinc/23/17/29/1106231729.db2.gz XORDPYDLDLDFGX-AEFFLSMTSA-N 0 3 312.413 3.038 20 30 DGEDHN COC(=O)c1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC001256401884 1106415389 /nfs/dbraw/zinc/41/53/89/1106415389.db2.gz KXWIUAXNRXQLLO-SFHVURJKSA-N 0 3 306.365 3.122 20 30 DGEDHN N#CCOc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC001256523581 1106433170 /nfs/dbraw/zinc/43/31/70/1106433170.db2.gz PYULDKUANNGYME-GOSISDBHSA-N 0 3 311.360 3.364 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001278951675 1106456137 /nfs/dbraw/zinc/45/61/37/1106456137.db2.gz VAZWQAHJSWEBSG-KXCGHJCSSA-N 0 3 319.474 3.206 20 30 DGEDHN Cc1cc(CNC2CCC(c3ccc(C#N)cc3)CC2)nn1C ZINC001257010767 1106524048 /nfs/dbraw/zinc/52/40/48/1106524048.db2.gz HCFPGNNORKVQHI-UHFFFAOYSA-N 0 3 308.429 3.416 20 30 DGEDHN CC(C)[C@H]1C[C@@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257177181 1106549144 /nfs/dbraw/zinc/54/91/44/1106549144.db2.gz XJKXPLLFJNLANN-LSDHHAIUSA-N 0 3 321.465 3.304 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CCN(Cc2ccsc2)CC1 ZINC001279064178 1106653894 /nfs/dbraw/zinc/65/38/94/1106653894.db2.gz SEYBQIYHFLVZQY-CQSZACIVSA-N 0 3 306.475 3.431 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(C3CCC3)CCC2)CC1 ZINC001279089714 1106713493 /nfs/dbraw/zinc/71/34/93/1106713493.db2.gz MWUDJBHBUOGNEX-MRXNPFEDSA-N 0 3 316.489 3.197 20 30 DGEDHN CCCCC(CCCC)N1CCN(c2nccnc2C#N)CC1 ZINC001258387734 1106727088 /nfs/dbraw/zinc/72/70/88/1106727088.db2.gz WIKGIJBYHLCVRC-UHFFFAOYSA-N 0 3 315.465 3.219 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001279097575 1106736531 /nfs/dbraw/zinc/73/65/31/1106736531.db2.gz RRWJISZEWLJBAT-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(Cl)c(C)c1)C1CC1 ZINC001316921289 1106766206 /nfs/dbraw/zinc/76/62/06/1106766206.db2.gz BPBGZLBSTMHQNM-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN CC(C)c1ccc(CN(C)CCN(C)C(=O)C#CC2CC2)cc1 ZINC001320000873 1106776360 /nfs/dbraw/zinc/77/63/60/1106776360.db2.gz YIUSIOCAHBFXDJ-UHFFFAOYSA-N 0 3 312.457 3.114 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](CC)Cc2ccccc2)CC1 ZINC001316933894 1106781342 /nfs/dbraw/zinc/78/13/42/1106781342.db2.gz QHGHRSLVCDBKOI-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1nc(C(C)(C)C)cs1 ZINC001320008791 1106782900 /nfs/dbraw/zinc/78/29/00/1106782900.db2.gz ALZJRHVJFSAAJM-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC001316953810 1106819945 /nfs/dbraw/zinc/81/99/45/1106819945.db2.gz NXIPZNPHFAUYJS-OAHLLOKOSA-N 0 3 322.399 3.054 20 30 DGEDHN CCCN(CCC#N)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258587721 1106832350 /nfs/dbraw/zinc/83/23/50/1106832350.db2.gz YDDWHRYWLXCMHK-GOSISDBHSA-N 0 3 313.445 3.193 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1)OCC ZINC001316978796 1106839374 /nfs/dbraw/zinc/83/93/74/1106839374.db2.gz DZUOQKYSQAGCPY-ZWKOTPCHSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001316978935 1106839482 /nfs/dbraw/zinc/83/94/82/1106839482.db2.gz HFMGOACUASMDIT-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001316988199 1106858977 /nfs/dbraw/zinc/85/89/77/1106858977.db2.gz GGHXKIGVXMRNDO-HNNXBMFYSA-N 0 3 319.449 3.327 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](CC)OCC)CC1 ZINC001317008138 1106892492 /nfs/dbraw/zinc/89/24/92/1106892492.db2.gz QIDIUSLPVNSKAF-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CC ZINC001317048012 1106949748 /nfs/dbraw/zinc/94/97/48/1106949748.db2.gz BOUHZCAVSPOWGG-WNRNVDISSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001317049993 1106951160 /nfs/dbraw/zinc/95/11/60/1106951160.db2.gz IUHHSBUUPDIATH-PVWHLQNVSA-N 0 3 302.462 3.062 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001317061741 1106959067 /nfs/dbraw/zinc/95/90/67/1106959067.db2.gz HSUCAZFHSAJVOU-AWEZNQCLSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001317083730 1106977260 /nfs/dbraw/zinc/97/72/60/1106977260.db2.gz NRGTWMVBTFPVJF-MRVWCRGKSA-N 0 3 322.399 3.475 20 30 DGEDHN CCOC(=O)C1(C#N)CCN(C2CCC(C(C)C)CC2)CC1 ZINC001258805859 1106989724 /nfs/dbraw/zinc/98/97/24/1106989724.db2.gz ZMNHMFBZHVINFU-UHFFFAOYSA-N 0 3 306.450 3.370 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001317098547 1106997175 /nfs/dbraw/zinc/99/71/75/1106997175.db2.gz VJUJPAWDVFLPHK-HNSVSWJLSA-N 0 3 310.457 3.448 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1cccc(F)c1F ZINC001320436955 1107006771 /nfs/dbraw/zinc/00/67/71/1107006771.db2.gz IJPCJYBCPWFJDO-CYBMUJFWSA-N 0 3 310.388 3.306 20 30 DGEDHN C[C@H]1CCC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001258829068 1107011596 /nfs/dbraw/zinc/01/15/96/1107011596.db2.gz VUVUQBLVRZNSSZ-GOEBONIOSA-N 0 3 301.409 3.398 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001317131972 1107031916 /nfs/dbraw/zinc/03/19/16/1107031916.db2.gz VNRXVFPHCUJVAT-CLOLKSBNSA-N 0 3 324.468 3.187 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001320515477 1107036342 /nfs/dbraw/zinc/03/63/42/1107036342.db2.gz ATZQSBNOBWBWMG-HTRKUNOGSA-N 0 3 311.429 3.065 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(F)ccc1Cl ZINC001320556666 1107052843 /nfs/dbraw/zinc/05/28/43/1107052843.db2.gz NGMQBDQWDGTYHA-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c[nH]c2ccc(C)cc21 ZINC001320642867 1107084172 /nfs/dbraw/zinc/08/41/72/1107084172.db2.gz BPRNWGYWHOHQSU-CYBMUJFWSA-N 0 3 319.836 3.327 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cncc2ccccc21 ZINC001320645693 1107086079 /nfs/dbraw/zinc/08/60/79/1107086079.db2.gz SKIGWQRXHIYQCM-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001317175974 1107092555 /nfs/dbraw/zinc/09/25/55/1107092555.db2.gz IRTYIGPVFKGPAL-HZPDHXFCSA-N 0 3 304.434 3.005 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCc1ccc(F)cc1 ZINC001317178340 1107098702 /nfs/dbraw/zinc/09/87/02/1107098702.db2.gz LTCFELMSYQVDSH-SFHVURJKSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC001317180120 1107102385 /nfs/dbraw/zinc/10/23/85/1107102385.db2.gz OREFEEBLKUAVOU-INIZCTEOSA-N 0 3 304.409 3.263 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001317195891 1107113800 /nfs/dbraw/zinc/11/38/00/1107113800.db2.gz WOIUGEXMNCBKIF-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)CCNCc1ccc(Cl)nc1 ZINC001320744979 1107123170 /nfs/dbraw/zinc/12/31/70/1107123170.db2.gz VNZOHVOEUPINPR-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C#CCOCCN(C)Cc1ccc(Br)c(Cl)c1 ZINC001320755234 1107126497 /nfs/dbraw/zinc/12/64/97/1107126497.db2.gz KFPDRXZYSSOXCA-UHFFFAOYSA-N 0 3 316.626 3.184 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001320766489 1107130041 /nfs/dbraw/zinc/13/00/41/1107130041.db2.gz IBXPTULUWVHTGS-UHFFFAOYSA-N 0 3 314.473 3.449 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001317243625 1107169521 /nfs/dbraw/zinc/16/95/21/1107169521.db2.gz BXHRUDIQWQOEOR-YVEFUNNKSA-N 0 3 322.399 3.403 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cc(F)cc(F)c2)CCC1 ZINC001317267777 1107190540 /nfs/dbraw/zinc/19/05/40/1107190540.db2.gz VNWJGDDDYXWOHI-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccnc(C)c1 ZINC001317433479 1107359847 /nfs/dbraw/zinc/35/98/47/1107359847.db2.gz ZVVAOKSQPYCNRG-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H](C)C(C)(F)F ZINC001317434808 1107362666 /nfs/dbraw/zinc/36/26/66/1107362666.db2.gz LTIBNRMAZSBUBB-OLZOCXBDSA-N 0 3 322.827 3.391 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001317445464 1107388835 /nfs/dbraw/zinc/38/88/35/1107388835.db2.gz WSZDATNYTOTRPW-SFHVURJKSA-N 0 3 316.420 3.055 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCOc1ccc(C)cc1 ZINC001317460177 1107410381 /nfs/dbraw/zinc/41/03/81/1107410381.db2.gz YOTCDBDHOHWFBQ-UHFFFAOYSA-N 0 3 318.461 3.024 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001321697265 1107413794 /nfs/dbraw/zinc/41/37/94/1107413794.db2.gz RSIHNCNWPDGCCT-HIFRSBDPSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCN(C)CCNC(=O)c1ccccc1-c1ccccc1 ZINC001317469430 1107426388 /nfs/dbraw/zinc/42/63/88/1107426388.db2.gz NOFRIORMVHWAJH-UHFFFAOYSA-N 0 3 306.409 3.039 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001317485017 1107441277 /nfs/dbraw/zinc/44/12/77/1107441277.db2.gz OYVKBMWMVHTNIQ-MSOLQXFVSA-N 0 3 300.446 3.194 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC001321831724 1107444070 /nfs/dbraw/zinc/44/40/70/1107444070.db2.gz MPQZSCHSZGGOBF-UONOGXRCSA-N 0 3 306.837 3.299 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccccc1OC1CC1 ZINC001321948862 1107468125 /nfs/dbraw/zinc/46/81/25/1107468125.db2.gz BPIQRARRWXARCA-AWEZNQCLSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCCC(=O)NCCN([C@H](C)c1cccc(F)c1)C1CC1 ZINC001317549135 1107521768 /nfs/dbraw/zinc/52/17/68/1107521768.db2.gz LCWLEBYPBYEXKE-CQSZACIVSA-N 0 3 304.409 3.434 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)nc1C1CC1)C1CC1 ZINC001317553818 1107528374 /nfs/dbraw/zinc/52/83/74/1107528374.db2.gz DNFDBUMYCIZOQE-UHFFFAOYSA-N 0 3 313.445 3.038 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@](O)(c2ccccc2)C1 ZINC001261810220 1107532691 /nfs/dbraw/zinc/53/26/91/1107532691.db2.gz VTRXJDAATXXBEK-FQEVSTJZSA-N 0 3 322.408 3.050 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(F)c2ccccc12)C1CC1 ZINC001317559267 1107538060 /nfs/dbraw/zinc/53/80/60/1107538060.db2.gz UIIOUJJRTPMDOW-UHFFFAOYSA-N 0 3 312.388 3.359 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1scnc1C1CCCC1 ZINC001322195917 1107566161 /nfs/dbraw/zinc/56/61/61/1107566161.db2.gz LFODFTZYCLWHSV-GFCCVEGCSA-N 0 3 307.463 3.037 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001322224597 1107578934 /nfs/dbraw/zinc/57/89/34/1107578934.db2.gz RJEVANASKYLMLL-INIZCTEOSA-N 0 3 313.445 3.241 20 30 DGEDHN Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)c(C)c1 ZINC001317656708 1107583890 /nfs/dbraw/zinc/58/38/90/1107583890.db2.gz CWJJNNOPCIKKBD-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1occc1C(C)C)c1ccccc1 ZINC001317722456 1107622827 /nfs/dbraw/zinc/62/28/27/1107622827.db2.gz UJJKNIFUVGIOMK-SFHVURJKSA-N 0 3 324.424 3.487 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CCC(=C)CC1)c1ccccc1 ZINC001317725664 1107624603 /nfs/dbraw/zinc/62/46/03/1107624603.db2.gz WMTOJAJUKWXRSH-IBGZPJMESA-N 0 3 310.441 3.203 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)c2cccnc2)C1 ZINC001317770871 1107656735 /nfs/dbraw/zinc/65/67/35/1107656735.db2.gz WPLWVUWOGSDUKA-AEFFLSMTSA-N 0 3 315.461 3.074 20 30 DGEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001262569758 1107726192 /nfs/dbraw/zinc/72/61/92/1107726192.db2.gz FXLKPVSICYEQPZ-LSDHHAIUSA-N 0 3 316.836 3.199 20 30 DGEDHN CN(CCCN(C)c1cc(C#N)cc(Cl)n1)Cc1ccco1 ZINC001262696687 1107781456 /nfs/dbraw/zinc/78/14/56/1107781456.db2.gz OAKDOJATAYZDBZ-UHFFFAOYSA-N 0 3 318.808 3.158 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001318185603 1107886212 /nfs/dbraw/zinc/88/62/12/1107886212.db2.gz ZOGHLPKDYPYUGE-KKUMJFAQSA-N 0 3 302.393 3.079 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001323246497 1107902668 /nfs/dbraw/zinc/90/26/68/1107902668.db2.gz NSYKMAPMCWYPDC-OCCSQVGLSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001323246495 1107903256 /nfs/dbraw/zinc/90/32/56/1107903256.db2.gz NSYKMAPMCWYPDC-GXTWGEPZSA-N 0 3 308.372 3.124 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1 ZINC001318223978 1107904727 /nfs/dbraw/zinc/90/47/27/1107904727.db2.gz GTYPOVUESGJCEI-BZSNNMDCSA-N 0 3 322.493 3.059 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001323274213 1107913561 /nfs/dbraw/zinc/91/35/61/1107913561.db2.gz WZLRTUUQURBRFG-SWLSCSKDSA-N 0 3 317.433 3.019 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001323287386 1107918361 /nfs/dbraw/zinc/91/83/61/1107918361.db2.gz PQIVTRKUDALDDS-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001323294107 1107923096 /nfs/dbraw/zinc/92/30/96/1107923096.db2.gz SFCOXAJUPDUEEE-STQMWFEESA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001323369360 1107953052 /nfs/dbraw/zinc/95/30/52/1107953052.db2.gz BRZUPXQQYRLYSI-QGZVFWFLSA-N 0 3 312.457 3.183 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC001263133920 1107957445 /nfs/dbraw/zinc/95/74/45/1107957445.db2.gz HPCOZHAUPCTKRY-BZSNNMDCSA-N 0 3 324.509 3.482 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001263146827 1107960351 /nfs/dbraw/zinc/96/03/51/1107960351.db2.gz JGQJSZMQDGHUIE-IKGGRYGDSA-N 0 3 310.482 3.092 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001263146828 1107960647 /nfs/dbraw/zinc/96/06/47/1107960647.db2.gz JGQJSZMQDGHUIE-IXDOHACOSA-N 0 3 310.482 3.092 20 30 DGEDHN CCCC(C)(C)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001323529992 1108000999 /nfs/dbraw/zinc/00/09/99/1108000999.db2.gz GOETTYBVXRXMCO-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)cc1 ZINC001263307804 1108011656 /nfs/dbraw/zinc/01/16/56/1108011656.db2.gz LLBYXHMAURGWNB-XJKSGUPXSA-N 0 3 312.369 3.089 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1-c1nccs1 ZINC001263331820 1108020335 /nfs/dbraw/zinc/02/03/35/1108020335.db2.gz ZTARLOYXONKKOX-ZDUSSCGKSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001318484362 1108045264 /nfs/dbraw/zinc/04/52/64/1108045264.db2.gz JRPHHLPUUCNDLG-MSOLQXFVSA-N 0 3 312.457 3.215 20 30 DGEDHN CC[C@@H](CNC(=O)C1CC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001318520257 1108077497 /nfs/dbraw/zinc/07/74/97/1108077497.db2.gz XERZYCZAXBRTNR-ZDUSSCGKSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@H](CC)C(C)C)C2)CC1 ZINC001323834640 1108097532 /nfs/dbraw/zinc/09/75/32/1108097532.db2.gz BKVVSLXHVFOZFG-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2c(C)nsc2C)C1 ZINC001318568950 1108101305 /nfs/dbraw/zinc/10/13/05/1108101305.db2.gz FHVHNSQFVSZSJK-AWEZNQCLSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001323872215 1108109564 /nfs/dbraw/zinc/10/95/64/1108109564.db2.gz IQORLPBUEKJDLW-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2cncc(F)c2)CCCC1 ZINC001318635560 1108134482 /nfs/dbraw/zinc/13/44/82/1108134482.db2.gz GVXOHXVTLCOOKQ-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@@H]1C ZINC001324052258 1108160845 /nfs/dbraw/zinc/16/08/45/1108160845.db2.gz PVZWJWMVRHOOEM-ZSCUQQAQSA-N 0 3 305.249 3.241 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CC[C@H](C)CC1)C1CC1 ZINC001318726599 1108168815 /nfs/dbraw/zinc/16/88/15/1108168815.db2.gz ABAKZPSQMNPGIW-JDFRZJQESA-N 0 3 312.885 3.440 20 30 DGEDHN CC1(C(=O)N2CCC[C@@H]2CNCC#Cc2ccccc2)CCCC1 ZINC001324206649 1108206094 /nfs/dbraw/zinc/20/60/94/1108206094.db2.gz LPUFMQQUVIGRTD-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C1CCC1)C1CCC1 ZINC001263806631 1108212883 /nfs/dbraw/zinc/21/28/83/1108212883.db2.gz DDNFNTKUMGKKMQ-KRWDZBQOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccc(C)s1 ZINC001263823198 1108236765 /nfs/dbraw/zinc/23/67/65/1108236765.db2.gz JENNEWJQHMHHCQ-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001263836679 1108244331 /nfs/dbraw/zinc/24/43/31/1108244331.db2.gz HVXMKRSYFYSLRP-GUTXKFCHSA-N 0 3 304.837 3.142 20 30 DGEDHN C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001324364416 1108265910 /nfs/dbraw/zinc/26/59/10/1108265910.db2.gz GYNCYNWNYDDICB-FXAWDEMLSA-N 0 3 324.468 3.077 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc(C)ccc2C)cc1 ZINC001319007242 1108274238 /nfs/dbraw/zinc/27/42/38/1108274238.db2.gz XZKXIJHNHJZMJM-UHFFFAOYSA-N 0 3 320.436 3.346 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001263878372 1108280019 /nfs/dbraw/zinc/28/00/19/1108280019.db2.gz VOIIDICZIOBWHT-DZKIICNBSA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC(C)(C)CC)C1 ZINC001263901995 1108292699 /nfs/dbraw/zinc/29/26/99/1108292699.db2.gz PZYDBQCWCJBQRM-UONOGXRCSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccncc1 ZINC001263946699 1108308292 /nfs/dbraw/zinc/30/82/92/1108308292.db2.gz WWFPYSMCRJNFHC-CZUORRHYSA-N 0 3 321.852 3.055 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001324522021 1108327791 /nfs/dbraw/zinc/32/77/91/1108327791.db2.gz RTSRUGAHHILUNT-MSOLQXFVSA-N 0 3 316.420 3.357 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H](CC)CCCC)C[C@@H]2C1 ZINC001264093220 1108370010 /nfs/dbraw/zinc/37/00/10/1108370010.db2.gz NTZWYPLYEOLNLT-OTWHNJEPSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)[C@H]1C ZINC001264167835 1108411108 /nfs/dbraw/zinc/41/11/08/1108411108.db2.gz CFMZLCNWRSLRJU-AGIUHOORSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001264179097 1108413620 /nfs/dbraw/zinc/41/36/20/1108413620.db2.gz HMXWEDRUDXFFNX-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001264179097 1108413623 /nfs/dbraw/zinc/41/36/23/1108413623.db2.gz HMXWEDRUDXFFNX-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN CCC[C@H](C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319429523 1108462446 /nfs/dbraw/zinc/46/24/46/1108462446.db2.gz IKYFTCFLSCVQIV-ROUUACIJSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCc3cccs3)[C@@H]2C1 ZINC001264337920 1108464185 /nfs/dbraw/zinc/46/41/85/1108464185.db2.gz JGHGFIPGBUNXTL-NVXWUHKLSA-N 0 3 318.486 3.180 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001319436632 1108465218 /nfs/dbraw/zinc/46/52/18/1108465218.db2.gz KCKHUOCYYJHVQH-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001319436631 1108465762 /nfs/dbraw/zinc/46/57/62/1108465762.db2.gz KCKHUOCYYJHVQH-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001264363618 1108470904 /nfs/dbraw/zinc/47/09/04/1108470904.db2.gz YHBBUDILRLGUOX-ZDUSSCGKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001264370608 1108479492 /nfs/dbraw/zinc/47/94/92/1108479492.db2.gz GWMXGSOUHSTLOW-UYAOXDASSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001319461220 1108479990 /nfs/dbraw/zinc/47/99/90/1108479990.db2.gz ANMQGKNIGORMNM-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ncccc1F ZINC001264374180 1108485972 /nfs/dbraw/zinc/48/59/72/1108485972.db2.gz BCBYVWGHTXFELJ-HNNXBMFYSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001264378787 1108492175 /nfs/dbraw/zinc/49/21/75/1108492175.db2.gz QZBPKBTVRMZKTD-DOMZBBRYSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001264416115 1108518867 /nfs/dbraw/zinc/51/88/67/1108518867.db2.gz OIXRAUGDJJSEDT-NNUKFRKNSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001324960054 1108536229 /nfs/dbraw/zinc/53/62/29/1108536229.db2.gz DNPFNORUKXLKSU-MRXNPFEDSA-N 0 3 314.420 3.216 20 30 DGEDHN CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C(C)(C)C ZINC001319636416 1108568383 /nfs/dbraw/zinc/56/83/83/1108568383.db2.gz RPKBBDDGZRUALT-ZDUSSCGKSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccccc1 ZINC001264592478 1108583985 /nfs/dbraw/zinc/58/39/85/1108583985.db2.gz JYKQBXYYZMOPHV-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2c(F)cccc2F)[C@H](C)C1 ZINC001319673680 1108588423 /nfs/dbraw/zinc/58/84/23/1108588423.db2.gz LGKBWXIWTUDXQN-CXAGYDPISA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1CC ZINC001325361515 1108632467 /nfs/dbraw/zinc/63/24/67/1108632467.db2.gz HNNAYDUJWNSNTK-DLBZAZTESA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(Cl)s2)[C@H]1C ZINC001264731065 1108635030 /nfs/dbraw/zinc/63/50/30/1108635030.db2.gz BORJZAYOCXCTMT-YPMHNXCESA-N 0 3 312.866 3.099 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccs1 ZINC001264742953 1108641394 /nfs/dbraw/zinc/64/13/94/1108641394.db2.gz NFYLHZZGFNJMCB-GJZGRUSLSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1cnoc1C ZINC001319861256 1108667237 /nfs/dbraw/zinc/66/72/37/1108667237.db2.gz MUJRFDSVTPHYFQ-WMLDXEAASA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cnoc1C ZINC001319861257 1108667448 /nfs/dbraw/zinc/66/74/48/1108667448.db2.gz MUJRFDSVTPHYFQ-YOEHRIQHSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001281086780 1108671683 /nfs/dbraw/zinc/67/16/83/1108671683.db2.gz GKXJBQFTPVLPKR-IVEQORNPSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCN(C)Cc1ccc(C)nc1C ZINC001264990519 1108693815 /nfs/dbraw/zinc/69/38/15/1108693815.db2.gz OXNVYMKHBKPAGZ-UHFFFAOYSA-N 0 3 317.477 3.239 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(C)Cc1cccc(C(C)C)n1 ZINC001265021218 1108701607 /nfs/dbraw/zinc/70/16/07/1108701607.db2.gz IVNLDNVEOMLFPI-UHFFFAOYSA-N 0 3 317.477 3.355 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C(F)F)o1)C(C)C ZINC001319956276 1108714138 /nfs/dbraw/zinc/71/41/38/1108714138.db2.gz CAYMJOJGQUNZJF-JTQLQIEISA-N 0 3 320.767 3.314 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001265066005 1108718609 /nfs/dbraw/zinc/71/86/09/1108718609.db2.gz JAOJHKGLUBOMOK-UHFFFAOYSA-N 0 3 322.493 3.273 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001265083801 1108725795 /nfs/dbraw/zinc/72/57/95/1108725795.db2.gz TUQJODFLTOQQAL-ZFWWWQNUSA-N 0 3 309.841 3.048 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C1CC1 ZINC001265169158 1108757249 /nfs/dbraw/zinc/75/72/49/1108757249.db2.gz TZRCSOGFVQFUOA-ZWKOTPCHSA-N 0 3 316.489 3.219 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001265203685 1108773878 /nfs/dbraw/zinc/77/38/78/1108773878.db2.gz ONKIRCBSORCFQE-INIZCTEOSA-N 0 3 319.449 3.232 20 30 DGEDHN Cc1ccc(NC(=O)c2ccc(C#N)cc2F)c(CN(C)C)c1 ZINC001265239562 1108795594 /nfs/dbraw/zinc/79/55/94/1108795594.db2.gz NZMZHUSJWPZUTR-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001265279311 1108803557 /nfs/dbraw/zinc/80/35/57/1108803557.db2.gz QNMSKCWHHIHYIF-HXUWFJFHSA-N 0 3 324.468 3.448 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001265282875 1108805049 /nfs/dbraw/zinc/80/50/49/1108805049.db2.gz ZTFDYNJZZLKVDV-GOSISDBHSA-N 0 3 310.441 3.058 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CC)CCCC)CC1 ZINC001265323906 1108827200 /nfs/dbraw/zinc/82/72/00/1108827200.db2.gz PIIIXBDBJBMJKA-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(CCC)C1CCN(CC=C)CC1 ZINC001265340806 1108834269 /nfs/dbraw/zinc/83/42/69/1108834269.db2.gz CWHCSQJXWRHQKN-UHFFFAOYSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001265422389 1108869608 /nfs/dbraw/zinc/86/96/08/1108869608.db2.gz LCHFCQUUIGKEFS-ZDUSSCGKSA-N 0 3 310.800 3.136 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2c(C)nsc2C)C1 ZINC001265432265 1108870591 /nfs/dbraw/zinc/87/05/91/1108870591.db2.gz FOFOJTNPRLMURU-AWEZNQCLSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001265558946 1108909499 /nfs/dbraw/zinc/90/94/99/1108909499.db2.gz DBRZMTXCVJFTEZ-OKILXGFUSA-N 0 3 321.852 3.074 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CC=C)CCCCC2)C1 ZINC001265708099 1108978903 /nfs/dbraw/zinc/97/89/03/1108978903.db2.gz JRYROIPTTZTOHQ-QZTJIDSGSA-N 0 3 316.489 3.363 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001265808894 1109010452 /nfs/dbraw/zinc/01/04/52/1109010452.db2.gz MYBQDIWLOBJBST-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[C@H](C)C#N ZINC001265815223 1109012873 /nfs/dbraw/zinc/01/28/73/1109012873.db2.gz SHASXIBNFZZACF-WBMJQRKESA-N 0 3 323.387 3.014 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NCc1cc(C)ccc1OC ZINC001265821629 1109016280 /nfs/dbraw/zinc/01/62/80/1109016280.db2.gz XCZUWDQDPMRPML-KXBFYZLASA-N 0 3 318.461 3.200 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1[nH]c(C)cc1C ZINC001265996615 1109059268 /nfs/dbraw/zinc/05/92/68/1109059268.db2.gz GJTQGNFTENTPDE-GJZGRUSLSA-N 0 3 323.868 3.357 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2C)C1 ZINC001266099158 1109090006 /nfs/dbraw/zinc/09/00/06/1109090006.db2.gz AAAMWWYVYLGTKJ-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc(Cl)cs1)C1CC1 ZINC001266162225 1109111958 /nfs/dbraw/zinc/11/19/58/1109111958.db2.gz VKSRGYQPUKFWIQ-UHFFFAOYSA-N 0 3 310.850 3.009 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)/C=C/c1ccco1 ZINC001266199270 1109124674 /nfs/dbraw/zinc/12/46/74/1109124674.db2.gz YIFSBAKMHDJCGE-XVJNWHFHSA-N 0 3 322.836 3.406 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001266221858 1109131113 /nfs/dbraw/zinc/13/11/13/1109131113.db2.gz JRMVJYBLLYMKPG-QGZVFWFLSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H](C)C(C)C ZINC001266234705 1109135214 /nfs/dbraw/zinc/13/52/14/1109135214.db2.gz JHSBFPFMVRRXHU-HUUCEWRRSA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1CC2(CC2)C1 ZINC001266235264 1109135716 /nfs/dbraw/zinc/13/57/16/1109135716.db2.gz SWXMPGIQODJITL-OAHLLOKOSA-N 0 3 310.869 3.290 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CCF)CCC1 ZINC001279229005 1109141830 /nfs/dbraw/zinc/14/18/30/1109141830.db2.gz DWLIMAKGFGXITR-MUJYYYPQSA-N 0 3 308.441 3.062 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC001279297822 1109145485 /nfs/dbraw/zinc/14/54/85/1109145485.db2.gz PAJASOSJKRKCAC-UHFFFAOYSA-N 0 3 324.399 3.081 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001279311869 1109146749 /nfs/dbraw/zinc/14/67/49/1109146749.db2.gz PGIQBBMQFDUCMG-PMACEKPBSA-N 0 3 324.468 3.064 20 30 DGEDHN C#CCC1(C(=O)N(C)C2CC(NCC(=C)Cl)C2)CCCCC1 ZINC001279329432 1109147838 /nfs/dbraw/zinc/14/78/38/1109147838.db2.gz VPRYDCOQBUVOEM-UHFFFAOYSA-N 0 3 322.880 3.292 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCCCCCCCC)C[C@@H]2C1 ZINC001279409794 1109151417 /nfs/dbraw/zinc/15/14/17/1109151417.db2.gz MLQVHJZOQWTOBA-HDICACEKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC001279606399 1109157723 /nfs/dbraw/zinc/15/77/23/1109157723.db2.gz WUDWYOFETGBMGF-FUHWJXTLSA-N 0 3 316.420 3.215 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC001279607881 1109157733 /nfs/dbraw/zinc/15/77/33/1109157733.db2.gz ZXQHTJOVWIUVMU-UXHICEINSA-N 0 3 324.468 3.190 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)c2ccccc2)C1 ZINC001280264011 1109182398 /nfs/dbraw/zinc/18/23/98/1109182398.db2.gz QFBFCEJOJHJEDG-HOTGVXAUSA-N 0 3 320.864 3.371 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H](C)C1CC1 ZINC001280324765 1109185283 /nfs/dbraw/zinc/18/52/83/1109185283.db2.gz LQJHSWAGVVOHNX-HNNXBMFYSA-N 0 3 300.446 3.357 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNCc1cncs1 ZINC001280440968 1109203815 /nfs/dbraw/zinc/20/38/15/1109203815.db2.gz ORQDWYDFEFSKTB-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001316604549 1109225818 /nfs/dbraw/zinc/22/58/18/1109225818.db2.gz ZGKFCZFSDQOYJU-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001280744896 1109246361 /nfs/dbraw/zinc/24/63/61/1109246361.db2.gz PMUTUENAEMDUKT-IAGOWNOFSA-N 0 3 310.457 3.289 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001280872661 1109267018 /nfs/dbraw/zinc/26/70/18/1109267018.db2.gz ICYQIZVSGWWCGU-UHFFFAOYSA-N 0 3 323.440 3.099 20 30 DGEDHN C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@@H]1NCC#Cc1ccccc1 ZINC001281389392 1109343675 /nfs/dbraw/zinc/34/36/75/1109343675.db2.gz WCKDQJQEJCOFMA-NYQNCTAXSA-N 0 3 324.468 3.077 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001316611317 1109362871 /nfs/dbraw/zinc/36/28/71/1109362871.db2.gz ZDNDINKHYOAYLD-MSOLQXFVSA-N 0 3 318.436 3.066 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2ccns2)[C@H](C)C1 ZINC001281676709 1109393859 /nfs/dbraw/zinc/39/38/59/1109393859.db2.gz QIYFUVAAVGAGKU-CABCVRRESA-N 0 3 321.490 3.011 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(CCc2ccns2)[C@H](C)C1 ZINC001281676711 1109394456 /nfs/dbraw/zinc/39/44/56/1109394456.db2.gz QIYFUVAAVGAGKU-HUUCEWRRSA-N 0 3 321.490 3.011 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C)CCC(C)CC1 ZINC001281768023 1109405353 /nfs/dbraw/zinc/40/53/53/1109405353.db2.gz GIBYUJXZJNFLAE-UGWHAMFMSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC=C(C)C ZINC001281901274 1109414380 /nfs/dbraw/zinc/41/43/80/1109414380.db2.gz IWRLAMSITLQYFA-UYAOXDASSA-N 0 3 310.441 3.128 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)Cc1csc(C)c1 ZINC001281934073 1109417048 /nfs/dbraw/zinc/41/70/48/1109417048.db2.gz WGBJYLHRNQUKKA-KRWDZBQOSA-N 0 3 318.486 3.283 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001282058174 1109438737 /nfs/dbraw/zinc/43/87/37/1109438737.db2.gz OYGWMZXYQMWMGJ-UHFFFAOYSA-N 0 3 321.852 3.056 20 30 DGEDHN C[C@@H](NC(=O)C1CCCCC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001282086586 1109445698 /nfs/dbraw/zinc/44/56/98/1109445698.db2.gz OHWKCJXVJFZHBO-QWHCGFSZSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1OC ZINC001282131401 1109455301 /nfs/dbraw/zinc/45/53/01/1109455301.db2.gz CKEMBOIPVPRZTQ-HZPDHXFCSA-N 0 3 318.461 3.343 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001282133089 1109455656 /nfs/dbraw/zinc/45/56/56/1109455656.db2.gz JLLQPUBQENCYRL-VXGBXAGGSA-N 0 3 323.506 3.345 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2cncs2)CCCC1 ZINC001282245152 1109475836 /nfs/dbraw/zinc/47/58/36/1109475836.db2.gz VREAJKNFTKQIHB-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCCCC(=O)N(C)C1CCC(NCc2cc(C)no2)CC1 ZINC001282270206 1109478458 /nfs/dbraw/zinc/47/84/58/1109478458.db2.gz LQLYPILRSWWYOC-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001282365119 1109493993 /nfs/dbraw/zinc/49/39/93/1109493993.db2.gz VKPUZTMGJSKNGX-STQMWFEESA-N 0 3 310.388 3.429 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282477811 1109520210 /nfs/dbraw/zinc/52/02/10/1109520210.db2.gz JJCRCIWBRDJXGM-CRAIPNDOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](C)C1CN(CC(=C)C)C1)c1ccccc1 ZINC001282745441 1109562121 /nfs/dbraw/zinc/56/21/21/1109562121.db2.gz SUSDUSAFASYKPI-IAGOWNOFSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2nc(C)c(C)s2)C(C)(C)C1 ZINC001282834536 1109573026 /nfs/dbraw/zinc/57/30/26/1109573026.db2.gz RYVJOJQRNATNNX-AWEZNQCLSA-N 0 3 321.490 3.166 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2)C(C)(C)C1 ZINC001282835043 1109573604 /nfs/dbraw/zinc/57/36/04/1109573604.db2.gz ZFWRZKBSULNTNW-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC=C)CCCCC2)C(C)(C)C1 ZINC001282834806 1109573668 /nfs/dbraw/zinc/57/36/68/1109573668.db2.gz WHSZLPGJUSXCFC-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@@H](C)C(C)(C)C)NCC#Cc1ccccc1 ZINC001283633097 1109664152 /nfs/dbraw/zinc/66/41/52/1109664152.db2.gz WKTDPWLGNFWZQX-DLBZAZTESA-N 0 3 314.473 3.157 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001283964915 1109707127 /nfs/dbraw/zinc/70/71/27/1109707127.db2.gz AETGJVOZKUDEHR-RDJZCZTQSA-N 0 3 324.424 3.315 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001284072844 1109729948 /nfs/dbraw/zinc/72/99/48/1109729948.db2.gz WPIYVVCPZNKNHG-CUWPLCDZSA-N 0 3 324.468 3.002 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)[C@@H]1C ZINC001284128068 1109742282 /nfs/dbraw/zinc/74/22/82/1109742282.db2.gz IWQUOIDNHFRIIV-PKOBYXMFSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001284132506 1109745254 /nfs/dbraw/zinc/74/52/54/1109745254.db2.gz WBHVPQLRRWKDBI-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2nc(C)cs2)C1 ZINC001284208889 1109758411 /nfs/dbraw/zinc/75/84/11/1109758411.db2.gz JFZQTYDNOUESOS-UONOGXRCSA-N 0 3 321.490 3.038 20 30 DGEDHN CC(C)(C)[C@H](CNCc1ccc(C#N)s1)NC(=O)C1CCC1 ZINC001284561630 1109812465 /nfs/dbraw/zinc/81/24/65/1109812465.db2.gz CWVBZQQGFJNQBH-HNNXBMFYSA-N 0 3 319.474 3.040 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)CC2=CCCCC2)CC1 ZINC001284712734 1109847103 /nfs/dbraw/zinc/84/71/03/1109847103.db2.gz PXFDMORYICZNTQ-INIZCTEOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001316644703 1110157309 /nfs/dbraw/zinc/15/73/09/1110157309.db2.gz VBZUWJDHVFVFJT-DLBZAZTESA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CCCCC1(C)C)C1CCN(C)CC1 ZINC001289195304 1110206994 /nfs/dbraw/zinc/20/69/94/1110206994.db2.gz IMTVAZVXFXUKGY-MRXNPFEDSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCC(C)(C)Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001301139670 1111083531 /nfs/dbraw/zinc/08/35/31/1111083531.db2.gz SCVIXWJNYOILAX-GJZGRUSLSA-N 0 3 319.497 3.108 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001301882238 1111102741 /nfs/dbraw/zinc/10/27/41/1111102741.db2.gz QUACAMGZKOKFHA-IEBWSBKVSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001317255087 1111106278 /nfs/dbraw/zinc/10/62/78/1111106278.db2.gz IQCAVVFIBFTBLE-NSHDSACASA-N 0 3 312.816 3.286 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001317442149 1111213075 /nfs/dbraw/zinc/21/30/75/1111213075.db2.gz FFIVEQYEROMYSM-HNNXBMFYSA-N 0 3 304.409 3.128 20 30 DGEDHN C[N@@H+]1CCCC[C@H]1CCC(=O)N([O-])CCCCc1ccccc1 ZINC001306896317 1111247871 /nfs/dbraw/zinc/24/78/71/1111247871.db2.gz ROOSVJBECMTCIX-SFHVURJKSA-N 0 3 318.461 3.492 20 30 DGEDHN C[N@H+]1CCCC[C@H]1CCC(=O)N([O-])CCCCc1ccccc1 ZINC001306896317 1111247875 /nfs/dbraw/zinc/24/78/75/1111247875.db2.gz ROOSVJBECMTCIX-SFHVURJKSA-N 0 3 318.461 3.492 20 30 DGEDHN CN(Cc1cc2ccccc2o1)C[C@H](O)c1cccc(C#N)c1 ZINC001307519098 1111310959 /nfs/dbraw/zinc/31/09/59/1111310959.db2.gz LEQQRTGLPWNPFY-SFHVURJKSA-N 0 3 306.365 3.470 20 30 DGEDHN C#CC[C@H]1CCCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001307873160 1111349416 /nfs/dbraw/zinc/34/94/16/1111349416.db2.gz SNABTTNBJNBBGJ-YOEHRIQHSA-N 0 3 316.832 3.181 20 30 DGEDHN C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001308010616 1111365304 /nfs/dbraw/zinc/36/53/04/1111365304.db2.gz UFWUPIOMJVDJOZ-CQSZACIVSA-N 0 3 308.381 3.053 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001308081811 1111375744 /nfs/dbraw/zinc/37/57/44/1111375744.db2.gz NQRZQIKYJMQDRL-XHSDSOJGSA-N 0 3 324.346 3.256 20 30 DGEDHN C=CCCCN(CC)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC001308134264 1111382168 /nfs/dbraw/zinc/38/21/68/1111382168.db2.gz OZOFHIFHXRQPIM-UHFFFAOYSA-N 0 3 317.433 3.240 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2csc(C)n2)CC1 ZINC001308647898 1111456230 /nfs/dbraw/zinc/45/62/30/1111456230.db2.gz WBJGBDUXLZJVIM-UHFFFAOYSA-N 0 3 305.491 3.153 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)cc1F ZINC001308733827 1111467724 /nfs/dbraw/zinc/46/77/24/1111467724.db2.gz YCHLJDRVVFUCOL-INIZCTEOSA-N 0 3 322.742 3.313 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001317490969 1111561434 /nfs/dbraw/zinc/56/14/34/1111561434.db2.gz MQRNHYRFOZLFBQ-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001317513296 1111620228 /nfs/dbraw/zinc/62/02/28/1111620228.db2.gz JLBOPDPADLDZQO-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCC1(C(=O)NCCCN(C)C[C@H](F)CC)CCCCC1 ZINC001316866698 1111651853 /nfs/dbraw/zinc/65/18/53/1111651853.db2.gz AXAWZOIDWZXRKS-MRXNPFEDSA-N 0 3 310.457 3.146 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001317040044 1111742571 /nfs/dbraw/zinc/74/25/71/1111742571.db2.gz VPKCHVCBPBIAHO-CLOOOTJHSA-N 0 3 310.869 3.103 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)C1CCC1 ZINC001315842788 1111748404 /nfs/dbraw/zinc/74/84/04/1111748404.db2.gz UGVGKJIWGRFBGI-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001316802692 1111770861 /nfs/dbraw/zinc/77/08/61/1111770861.db2.gz OZJQSSCZCZLYTK-VSZNYVQBSA-N 0 3 302.462 3.088 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(F)c(C)cc1F ZINC001316803084 1111771969 /nfs/dbraw/zinc/77/19/69/1111771969.db2.gz VTNIBUTXGKHBGO-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cc(C)ns1 ZINC001316872341 1111786262 /nfs/dbraw/zinc/78/62/62/1111786262.db2.gz JXRJNZUXOJQLOF-GDBMZVCRSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1O ZINC001316871972 1111786318 /nfs/dbraw/zinc/78/63/18/1111786318.db2.gz IADLKPFPESMPON-ZFWWWQNUSA-N 0 3 322.836 3.118 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)CC(C)(C)C ZINC001316885178 1111792214 /nfs/dbraw/zinc/79/22/14/1111792214.db2.gz YPWLKDGGYPTMMM-UHFFFAOYSA-N 0 3 314.473 3.303 20 30 DGEDHN C#CCOc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000077466495 334926953 /nfs/dbraw/zinc/92/69/53/334926953.db2.gz YRTPKIAYLMZESX-HXUWFJFHSA-N 0 3 309.409 3.302 20 30 DGEDHN CC[C@@H](NCCNC(=O)c1cccc(C)c1)c1ccc(C#N)cc1 ZINC000278271425 214058981 /nfs/dbraw/zinc/05/89/81/214058981.db2.gz PDQXUJYCVDCBIA-LJQANCHMSA-N 0 3 321.424 3.337 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1cccc(C)c1)c1ccc(C#N)cc1 ZINC000278351200 214109239 /nfs/dbraw/zinc/10/92/39/214109239.db2.gz ZGDCNJDJRINBOO-QUCCMNQESA-N 0 3 324.424 3.347 20 30 DGEDHN COCCSCCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000278505503 214198764 /nfs/dbraw/zinc/19/87/64/214198764.db2.gz MAFHIPJLVGTYKA-UHFFFAOYSA-N 0 3 304.459 3.292 20 30 DGEDHN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000347352055 529379777 /nfs/dbraw/zinc/37/97/77/529379777.db2.gz XQFYDYUXCYIEIY-DOMZBBRYSA-N 0 3 324.384 3.156 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000272853676 210249969 /nfs/dbraw/zinc/24/99/69/210249969.db2.gz LNOGSDUYQCEWPX-CGTJXYLNSA-N 0 3 321.486 3.149 20 30 DGEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000309756396 231104067 /nfs/dbraw/zinc/10/40/67/231104067.db2.gz XCHMKHDOCCKAFT-KRWDZBQOSA-N 0 3 306.413 3.257 20 30 DGEDHN C[C@H]1[C@@H](NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000310218838 231112182 /nfs/dbraw/zinc/11/21/82/231112182.db2.gz WMPAWQDNYBZCMD-YWZLYKJASA-N 0 3 323.415 3.450 20 30 DGEDHN CC[C@@]1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435130679 529527731 /nfs/dbraw/zinc/52/77/31/529527731.db2.gz UGKXBCRJABEGHN-IBGZPJMESA-N 0 3 323.444 3.481 20 30 DGEDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000415813228 529611040 /nfs/dbraw/zinc/61/10/40/529611040.db2.gz ZVCVMCHRANUQTR-SFHVURJKSA-N 0 3 322.412 3.251 20 30 DGEDHN CC[C@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(C#N)cc1 ZINC000296659106 529663633 /nfs/dbraw/zinc/66/36/33/529663633.db2.gz ZQENHNUZSBFLNM-IRXDYDNUSA-N 0 3 301.434 3.102 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000092401149 185316162 /nfs/dbraw/zinc/31/61/62/185316162.db2.gz WXQCKOLDPYKTLZ-ZFWWWQNUSA-N 0 3 319.474 3.137 20 30 DGEDHN CC[C@H](O)CN(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000441072262 529695246 /nfs/dbraw/zinc/69/52/46/529695246.db2.gz JBQWPYROBQTUJB-IBGZPJMESA-N 0 3 324.424 3.210 20 30 DGEDHN CN(C)c1cc(C([O-])=C(C#N)c2ccccn2)[nH+]c2ccccc21 ZINC000355100377 529772401 /nfs/dbraw/zinc/77/24/01/529772401.db2.gz PBLUJCIWTOIPJN-CQSZACIVSA-N 0 3 316.364 3.186 20 30 DGEDHN CN1CCN(Cc2ccc(CC#N)cc2)C[C@H]1Cc1ccccc1 ZINC000341974221 529773666 /nfs/dbraw/zinc/77/36/66/529773666.db2.gz HUJWHAZKVGYPPE-OAQYLSRUSA-N 0 3 319.452 3.111 20 30 DGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CC=CCC1 ZINC000344029744 529826523 /nfs/dbraw/zinc/82/65/23/529826523.db2.gz AOEOIKJVCGCFHO-QGZVFWFLSA-N 0 3 311.429 3.221 20 30 DGEDHN CN(CCCn1ccnc1)Cc1cccc(OCCCC#N)c1 ZINC000349410435 529898775 /nfs/dbraw/zinc/89/87/75/529898775.db2.gz UCKICBYHOCRERM-UHFFFAOYSA-N 0 3 312.417 3.088 20 30 DGEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310479158 529986436 /nfs/dbraw/zinc/98/64/36/529986436.db2.gz DJGWOHYYHAQBCE-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CCC1 ZINC000111298398 185577410 /nfs/dbraw/zinc/57/74/10/185577410.db2.gz QBRXQCGVKBGONQ-NSHDSACASA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCN(CCC(=O)NC1CCCC1)CCc1ccccc1 ZINC000065959275 432013465 /nfs/dbraw/zinc/01/34/65/432013465.db2.gz CIZLCANFLLYXJT-UHFFFAOYSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000272692747 210098024 /nfs/dbraw/zinc/09/80/24/210098024.db2.gz UTAALWIVEATARF-SFHVURJKSA-N 0 3 316.445 3.305 20 30 DGEDHN Cc1cccc(CC2(O)CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000279618927 215009557 /nfs/dbraw/zinc/00/95/57/215009557.db2.gz AQLYGJAWABJGMM-UHFFFAOYSA-N 0 3 320.436 3.436 20 30 DGEDHN C=CCc1cc(CN(C)C[C@@H]2CCCC[C@H]2O)cc(OC)c1O ZINC000272660955 210063796 /nfs/dbraw/zinc/06/37/96/210063796.db2.gz RLOQBRBLUKSDFB-DLBZAZTESA-N 0 3 319.445 3.112 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106036863 432019245 /nfs/dbraw/zinc/01/92/45/432019245.db2.gz KZWKGQBGSOIINP-UHFFFAOYSA-N 0 3 314.429 3.022 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccccc3C)CC2)CC1 ZINC000106035197 432019679 /nfs/dbraw/zinc/01/96/79/432019679.db2.gz BVPORWVDJNGTQD-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Sc2ccccc2)CC1 ZINC000106040466 432020011 /nfs/dbraw/zinc/02/00/11/432020011.db2.gz VQAGBRBOPMTKQV-OAHLLOKOSA-N 0 3 318.486 3.324 20 30 DGEDHN C=CCc1cc(CN2CCC[C@](C)(OC)C2)cc(OC)c1O ZINC000279773791 215133687 /nfs/dbraw/zinc/13/36/87/215133687.db2.gz AMVMGHRBJLCUBO-SFHVURJKSA-N 0 3 305.418 3.130 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000106038417 432020431 /nfs/dbraw/zinc/02/04/31/432020431.db2.gz YFMGYLKBYAXYNP-UHFFFAOYSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1ccc(C(=O)NC)cc1 ZINC000066872962 432024084 /nfs/dbraw/zinc/02/40/84/432024084.db2.gz WUPUBDJFNDHGGN-UHFFFAOYSA-N 0 3 308.425 3.277 20 30 DGEDHN COC[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066904858 432024354 /nfs/dbraw/zinc/02/43/54/432024354.db2.gz CSPNAJKBPMWXDB-HNNXBMFYSA-N 0 3 310.397 3.262 20 30 DGEDHN COc1ccc(-c2n[nH]cc2CNCc2cccc(C#N)c2)cc1 ZINC000066972000 432024994 /nfs/dbraw/zinc/02/49/94/432024994.db2.gz XQKVLVMJICRSMU-UHFFFAOYSA-N 0 3 318.380 3.247 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000268741814 186374256 /nfs/dbraw/zinc/37/42/56/186374256.db2.gz ZRJXODXIVAIXLV-RBUKOAKNSA-N 0 3 324.449 3.382 20 30 DGEDHN C#CCOc1ccccc1CNCc1ccccc1-n1ccnc1 ZINC000107044478 432026155 /nfs/dbraw/zinc/02/61/55/432026155.db2.gz HXQPEWYWUFNTCB-UHFFFAOYSA-N 0 3 317.392 3.174 20 30 DGEDHN CCN(CC)[C@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000174264198 198311702 /nfs/dbraw/zinc/31/17/02/198311702.db2.gz KISULYMFSUHPMH-KRWDZBQOSA-N 0 3 311.429 3.194 20 30 DGEDHN Cn1cccc1[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000067961113 432048104 /nfs/dbraw/zinc/04/81/04/432048104.db2.gz XYSOVVGOMAZWHX-GOSISDBHSA-N 0 3 322.412 3.062 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](N2CCCC2)C1 ZINC000301284598 283135909 /nfs/dbraw/zinc/13/59/09/283135909.db2.gz LGNYRLXGGNYFRU-ZDUSSCGKSA-N 0 3 324.350 3.037 20 30 DGEDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)N(C)C)cc1 ZINC000166089651 432058894 /nfs/dbraw/zinc/05/88/94/432058894.db2.gz OTEPTCYFQNPAMC-SFHVURJKSA-N 0 3 324.384 3.490 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(C)C)C1=O ZINC000179300620 199011910 /nfs/dbraw/zinc/01/19/10/199011910.db2.gz FORSPBMJAPDZOO-SFHVURJKSA-N 0 3 313.445 3.168 20 30 DGEDHN C=C[C@H](CC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000179367514 199023604 /nfs/dbraw/zinc/02/36/04/199023604.db2.gz QEOUNFQXBSWAPJ-QRQLOZEOSA-N 0 3 312.457 3.289 20 30 DGEDHN Cc1ccc(C#N)c(NC2CCN(CCc3ccccc3)CC2)n1 ZINC000179756197 199076539 /nfs/dbraw/zinc/07/65/39/199076539.db2.gz BFUZUUOAPYQXIG-UHFFFAOYSA-N 0 3 320.440 3.381 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)s1 ZINC000180785017 199208732 /nfs/dbraw/zinc/20/87/32/199208732.db2.gz MPICXJGJQVEVJX-DYVFJYSZSA-N 0 3 301.459 3.068 20 30 DGEDHN CC(C)(NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000180880305 199222939 /nfs/dbraw/zinc/22/29/39/199222939.db2.gz YTCRYYXNLQUMOY-QGZVFWFLSA-N 0 3 316.351 3.395 20 30 DGEDHN C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000181072911 199248801 /nfs/dbraw/zinc/24/88/01/199248801.db2.gz YLFPECJFUQQKOM-CQSZACIVSA-N 0 3 321.380 3.366 20 30 DGEDHN COc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1C#N ZINC000187505445 200121838 /nfs/dbraw/zinc/12/18/38/200121838.db2.gz CFTFZWLTXQDWLG-UHFFFAOYSA-N 0 3 310.397 3.084 20 30 DGEDHN CCCC(=O)NC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666071 200141584 /nfs/dbraw/zinc/14/15/84/200141584.db2.gz CIUVFYYQAUPIAK-DOTOQJQBSA-N 0 3 313.445 3.248 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(CCC2(F)F)C1 ZINC000427717471 238001755 /nfs/dbraw/zinc/00/17/55/238001755.db2.gz HJORQHOQEJOEOR-CQSZACIVSA-N 0 3 304.340 3.017 20 30 DGEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)cc(OC)c1OC ZINC000430740865 238085504 /nfs/dbraw/zinc/08/55/04/238085504.db2.gz LBXWACPJGAHSQS-LBPRGKRZSA-N 0 3 304.390 3.057 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccccc1F ZINC000433132333 238147974 /nfs/dbraw/zinc/14/79/74/238147974.db2.gz XABVIXVQAVTPSU-QGZVFWFLSA-N 0 3 310.372 3.257 20 30 DGEDHN C[C@H](c1ccncc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311020 238154844 /nfs/dbraw/zinc/15/48/44/238154844.db2.gz KPCGFJFVGMSKDL-QAPCUYQASA-N 0 3 307.397 3.374 20 30 DGEDHN COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271969322 209348106 /nfs/dbraw/zinc/34/81/06/209348106.db2.gz UAMOFEUEDSDWHB-SGTLLEGYSA-N 0 3 314.360 3.090 20 30 DGEDHN C=CCc1cc(CNCC2([C@@H](O)C(C)C)CC2)cc(OC)c1O ZINC000271956699 209339145 /nfs/dbraw/zinc/33/91/45/209339145.db2.gz FGMMKHPIFDXVJA-SFHVURJKSA-N 0 3 319.445 3.016 20 30 DGEDHN C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271922955 209326232 /nfs/dbraw/zinc/32/62/32/209326232.db2.gz IIDGFKIGEQTXIB-MLGOLLRUSA-N 0 3 301.365 3.244 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000442769358 239120573 /nfs/dbraw/zinc/12/05/73/239120573.db2.gz QACORDUAOCDPFA-GDBMZVCRSA-N 0 3 309.369 3.314 20 30 DGEDHN N#Cc1ccc(OCCNCc2ccnn2C2CCCC2)cc1 ZINC000449168630 240048964 /nfs/dbraw/zinc/04/89/64/240048964.db2.gz MSMLVBZXPNOMOL-UHFFFAOYSA-N 0 3 310.401 3.038 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccccc2F)s1 ZINC000449204172 240065894 /nfs/dbraw/zinc/06/58/94/240065894.db2.gz LLMROMDYJDKRSV-GFCCVEGCSA-N 0 3 306.406 3.223 20 30 DGEDHN C=CCOc1cccc(CNC[C@@H](O)Cc2cccc(F)c2)c1 ZINC000449364862 240159397 /nfs/dbraw/zinc/15/93/97/240159397.db2.gz RRAFOZDFQAXREP-SFHVURJKSA-N 0 3 315.388 3.084 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000449695250 240373698 /nfs/dbraw/zinc/37/36/98/240373698.db2.gz DTTWQLZMAACXSS-QGZVFWFLSA-N 0 3 311.429 3.266 20 30 DGEDHN C=CCC1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000450122989 240571358 /nfs/dbraw/zinc/57/13/58/240571358.db2.gz UESDXWWLKISWGR-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]2CCCO[C@@H]21 ZINC000451483592 241138623 /nfs/dbraw/zinc/13/86/23/241138623.db2.gz YIAXTRMEKCQJJN-BBWFWOEESA-N 0 3 303.833 3.485 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(Cl)c1 ZINC000451487111 241142125 /nfs/dbraw/zinc/14/21/25/241142125.db2.gz GCHWZWVYCCJATD-BMFZPTHFSA-N 0 3 302.805 3.259 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]2CCCO[C@@H]21 ZINC000451474214 241134137 /nfs/dbraw/zinc/13/41/37/241134137.db2.gz AHSYBYYMLRAQPE-BBWFWOEESA-N 0 3 303.833 3.485 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@]2(CCSC2)C1 ZINC000451957801 241283022 /nfs/dbraw/zinc/28/30/22/241283022.db2.gz GHYZKKVGPPTFBO-KRWDZBQOSA-N 0 3 302.443 3.156 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(OC(C)C)c2)CC1 ZINC000455775236 242281308 /nfs/dbraw/zinc/28/13/08/242281308.db2.gz YHVKFIYSKDXXIQ-UHFFFAOYSA-N 0 3 317.433 3.246 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456244549 242386771 /nfs/dbraw/zinc/38/67/71/242386771.db2.gz GKLFQFSOLCINPD-IPMKNSEASA-N 0 3 308.425 3.406 20 30 DGEDHN Cn1cccc1[C@@H]1CCCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000268639150 432115273 /nfs/dbraw/zinc/11/52/73/432115273.db2.gz DFACWOORYTUGNO-OALUTQOASA-N 0 3 309.413 3.157 20 30 DGEDHN Cc1cc(NC(=O)Cc2ccc(C#N)cc2)ccc1CN(C)C ZINC000458296518 243022572 /nfs/dbraw/zinc/02/25/72/243022572.db2.gz YCLYTCDYWITPSA-UHFFFAOYSA-N 0 3 307.397 3.110 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)CC1 ZINC000458322097 243030107 /nfs/dbraw/zinc/03/01/07/243030107.db2.gz NXLADRSKOSJUNE-ZWKOTPCHSA-N 0 3 321.509 3.349 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)CC1 ZINC000458322089 243030469 /nfs/dbraw/zinc/03/04/69/243030469.db2.gz NXLADRSKOSJUNE-MSOLQXFVSA-N 0 3 321.509 3.349 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000275155625 212156385 /nfs/dbraw/zinc/15/63/85/212156385.db2.gz YXKOSRCFGIRUTC-SFHVURJKSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282854051 335000762 /nfs/dbraw/zinc/00/07/62/335000762.db2.gz UTSZNVAWHNKQBE-KRWDZBQOSA-N 0 3 300.446 3.370 20 30 DGEDHN Cc1cc(CNC2CCC(Oc3ccccc3C#N)CC2)no1 ZINC000459439908 243370663 /nfs/dbraw/zinc/37/06/63/243370663.db2.gz GDMZCFVLVKVBPW-UHFFFAOYSA-N 0 3 311.385 3.335 20 30 DGEDHN CCOC(=O)N(C)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118396916 284128396 /nfs/dbraw/zinc/12/83/96/284128396.db2.gz NYRUZHYFDBXFNF-CQSZACIVSA-N 0 3 315.417 3.172 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471016605 244202273 /nfs/dbraw/zinc/20/22/73/244202273.db2.gz DHDYQMRCTCPKFG-SFHVURJKSA-N 0 3 312.457 3.293 20 30 DGEDHN C[C@@H]1C[C@@H](O)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000471809978 244250440 /nfs/dbraw/zinc/25/04/40/244250440.db2.gz NEMKLUYXCLRCQJ-DNVCBOLYSA-N 0 3 322.408 3.092 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000483232873 244841160 /nfs/dbraw/zinc/84/11/60/244841160.db2.gz SSSLFBYHPAYDFO-CQSZACIVSA-N 0 3 320.864 3.384 20 30 DGEDHN CCC(CC)(CNCC#Cc1ccc(Cl)cc1)C(=O)OC ZINC000487844732 245111907 /nfs/dbraw/zinc/11/19/07/245111907.db2.gz ZEYOADJHXXPMCJ-UHFFFAOYSA-N 0 3 307.821 3.261 20 30 DGEDHN Cc1cc(CN2CCC(Cc3nccn3C)CC2)ccc1C#N ZINC000487928759 245123761 /nfs/dbraw/zinc/12/37/61/245123761.db2.gz JVVWSIKTSXKFGZ-UHFFFAOYSA-N 0 3 308.429 3.055 20 30 DGEDHN Cc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)ccc1C#N ZINC000488125638 245149778 /nfs/dbraw/zinc/14/97/78/245149778.db2.gz GFOGZRVEYQEYSC-PEBXRYMYSA-N 0 3 312.438 3.455 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CCc1ccccc1 ZINC000488557725 245208533 /nfs/dbraw/zinc/20/85/33/245208533.db2.gz VEXWYNROZUPHDM-QGZVFWFLSA-N 0 3 302.462 3.364 20 30 DGEDHN COCC(C)(C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000488815691 245236962 /nfs/dbraw/zinc/23/69/62/245236962.db2.gz BENOHYBFDGITQX-QGZVFWFLSA-N 0 3 316.445 3.328 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2c(C)cccc2Cl)CC1 ZINC000488847819 245239538 /nfs/dbraw/zinc/23/95/38/245239538.db2.gz AIATVMGJRQFBEK-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCC[C@@H](O)CN(CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490079308 245379812 /nfs/dbraw/zinc/37/98/12/245379812.db2.gz YSWMHTKGMAWYBO-IAGOWNOFSA-N 0 3 318.461 3.361 20 30 DGEDHN CCn1nccc1C1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282495295 217039744 /nfs/dbraw/zinc/03/97/44/217039744.db2.gz XULPEAIVQYNMMS-UHFFFAOYSA-N 0 3 324.428 3.163 20 30 DGEDHN CN(C)C/C=C/C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000491883267 245578965 /nfs/dbraw/zinc/57/89/65/245578965.db2.gz KVPGVYVVXYKLTK-ONEGZZNKSA-N 0 3 321.380 3.407 20 30 DGEDHN C[C@H]1[C@H](NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000288381509 220122288 /nfs/dbraw/zinc/12/22/88/220122288.db2.gz GBPVQLUWLNWAHB-KBXCAEBGSA-N 0 3 311.454 3.372 20 30 DGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cn1 ZINC000266443342 205351373 /nfs/dbraw/zinc/35/13/73/205351373.db2.gz HPIAHSAHXMCNRY-LJQANCHMSA-N 0 3 320.440 3.302 20 30 DGEDHN COc1cccc(N2CC[C@H](N[C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000266468405 205369536 /nfs/dbraw/zinc/36/95/36/205369536.db2.gz NLYGMRDMIAMFKX-QAPCUYQASA-N 0 3 321.424 3.496 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@H](O)c2ccc(F)cc2)cc1 ZINC000268779357 432133387 /nfs/dbraw/zinc/13/33/87/432133387.db2.gz XEYCLONKTDARFG-KUHUBIRLSA-N 0 3 313.372 3.222 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000494521626 246159283 /nfs/dbraw/zinc/15/92/83/246159283.db2.gz IYNVOJKVVWTFSI-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000181540540 432134640 /nfs/dbraw/zinc/13/46/40/432134640.db2.gz YKGFUCMKOSJTMI-CQSZACIVSA-N 0 3 317.396 3.298 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267535559 206129252 /nfs/dbraw/zinc/12/92/52/206129252.db2.gz YIUOVKMPYHVEBB-GOEBONIOSA-N 0 3 321.852 3.091 20 30 DGEDHN C=C(Cl)CNC1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495689040 246297526 /nfs/dbraw/zinc/29/75/26/246297526.db2.gz RHIFVFVQQCBWPZ-UHFFFAOYSA-N 0 3 302.846 3.412 20 30 DGEDHN CCN(C)C(=O)OC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000495769190 246307768 /nfs/dbraw/zinc/30/77/68/246307768.db2.gz HNVQTHAQCIXGLS-HNNXBMFYSA-N 0 3 309.454 3.259 20 30 DGEDHN N#CCCCCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495816437 246311655 /nfs/dbraw/zinc/31/16/55/246311655.db2.gz JPOGIHLMKILKJU-MRXNPFEDSA-N 0 3 307.438 3.204 20 30 DGEDHN N#CCCCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495816436 246312127 /nfs/dbraw/zinc/31/21/27/246312127.db2.gz JPOGIHLMKILKJU-INIZCTEOSA-N 0 3 307.438 3.204 20 30 DGEDHN C=C(C)CCN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495876745 246320930 /nfs/dbraw/zinc/32/09/30/246320930.db2.gz OQUAWOCUOGOIKG-CYBMUJFWSA-N 0 3 305.422 3.467 20 30 DGEDHN N#CCCCCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000495898131 246323891 /nfs/dbraw/zinc/32/38/91/246323891.db2.gz NECQMSGDMDORHU-INIZCTEOSA-N 0 3 307.438 3.204 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCC(C)(C)C#N ZINC000496453735 246398775 /nfs/dbraw/zinc/39/87/75/246398775.db2.gz GTPMVIJFXZMQRP-ZIAGYGMSSA-N 0 3 309.454 3.304 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000190313743 432143820 /nfs/dbraw/zinc/14/38/20/432143820.db2.gz KMXKEPAUFCPZAD-GFCCVEGCSA-N 0 3 310.423 3.162 20 30 DGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000040540295 183096805 /nfs/dbraw/zinc/09/68/05/183096805.db2.gz WAVRDQCNKNFKBP-CYBMUJFWSA-N 0 3 305.381 3.294 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000171606938 432149522 /nfs/dbraw/zinc/14/95/22/432149522.db2.gz WJORGEDPCJPVDA-RDJZCZTQSA-N 0 3 307.482 3.247 20 30 DGEDHN C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1cccc(C#N)c1 ZINC000181885287 432149701 /nfs/dbraw/zinc/14/97/01/432149701.db2.gz RMHFTHVFLKEFCW-CJNGLKHVSA-N 0 3 310.376 3.022 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 ZINC000106488401 194219196 /nfs/dbraw/zinc/21/91/96/194219196.db2.gz OTEIBPCFIBAETO-MRXNPFEDSA-N 0 3 313.351 3.205 20 30 DGEDHN C[C@H](c1cccc(O)c1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000109781130 194285890 /nfs/dbraw/zinc/28/58/90/194285890.db2.gz KEZZQILKQMJKTB-CQSZACIVSA-N 0 3 323.396 3.285 20 30 DGEDHN CN(CCCCc1ccccc1)Cc1cnc2c(C#N)cnn2c1 ZINC000521045285 269686628 /nfs/dbraw/zinc/68/66/28/269686628.db2.gz MTHBURHVAQXQFR-UHFFFAOYSA-N 0 3 319.412 3.056 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285686143 218581847 /nfs/dbraw/zinc/58/18/47/218581847.db2.gz VDCHBHCXHSJHNX-DOMZBBRYSA-N 0 3 312.335 3.399 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000268897541 207066037 /nfs/dbraw/zinc/06/60/37/207066037.db2.gz AYUUGLQDVQYLND-VHKYSDTDSA-N 0 3 307.393 3.008 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@@](C)(O)c2cccs2)cc1 ZINC000268997054 207153367 /nfs/dbraw/zinc/15/33/67/207153367.db2.gz NVLVNZFBOHECTO-RDTXWAMCSA-N 0 3 315.438 3.318 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC2(CCCCC2)CC1 ZINC000102410696 285037772 /nfs/dbraw/zinc/03/77/72/285037772.db2.gz GKNYHABLHFZLPK-MRXNPFEDSA-N 0 3 305.466 3.041 20 30 DGEDHN Cn1cc(-c2ccc(CNCc3cccc(C#N)c3)s2)cn1 ZINC000337826252 253179823 /nfs/dbraw/zinc/17/98/23/253179823.db2.gz SZRXQKODSIDGMJ-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273007156 210386809 /nfs/dbraw/zinc/38/68/09/210386809.db2.gz RWSHJWFIOVDBGX-INIZCTEOSA-N 0 3 319.493 3.415 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000338362558 253272833 /nfs/dbraw/zinc/27/28/33/253272833.db2.gz PWWPBVUHPPPWJK-CQSZACIVSA-N 0 3 318.380 3.109 20 30 DGEDHN COCCOCCN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272065580 533076141 /nfs/dbraw/zinc/07/61/41/533076141.db2.gz XVQCXCUZFCWIFW-UHFFFAOYSA-N 0 3 304.434 3.091 20 30 DGEDHN Cc1cc(OC(=O)C2CCN(C3CC3)CC2)c(C)c(C)c1C#N ZINC000288722977 220372124 /nfs/dbraw/zinc/37/21/24/220372124.db2.gz FQXFKCQKJXJFDN-UHFFFAOYSA-N 0 3 312.413 3.263 20 30 DGEDHN Cc1nsc(NCCN(C)Cc2ccc(F)cc2)c1C#N ZINC000342777055 254047662 /nfs/dbraw/zinc/04/76/62/254047662.db2.gz BXILMWSSYHAYRF-UHFFFAOYSA-N 0 3 304.394 3.006 20 30 DGEDHN CN(C)Cc1ccc(CNCc2ccc(C#N)cc2F)cc1F ZINC000342826601 254060423 /nfs/dbraw/zinc/06/04/23/254060423.db2.gz RZFGNXMDKQGCON-UHFFFAOYSA-N 0 3 315.367 3.188 20 30 DGEDHN Cc1ccccc1C[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000343467527 254148344 /nfs/dbraw/zinc/14/83/44/254148344.db2.gz MSTVVGIVQYLWBX-RDTXWAMCSA-N 0 3 312.388 3.260 20 30 DGEDHN CN(CCCNCc1ccc(C#N)cc1F)c1ccccc1F ZINC000343487151 254150993 /nfs/dbraw/zinc/15/09/93/254150993.db2.gz NROSRMIWOOVYDD-UHFFFAOYSA-N 0 3 315.367 3.453 20 30 DGEDHN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000343496470 254151677 /nfs/dbraw/zinc/15/16/77/254151677.db2.gz FZNUSZLPEBDDFI-YOEHRIQHSA-N 0 3 312.388 3.260 20 30 DGEDHN C[C@@H](NCCC(=O)NCC1CCCCC1)c1ccc(C#N)cc1 ZINC000343452053 254145821 /nfs/dbraw/zinc/14/58/21/254145821.db2.gz NSOCMFBDTLMTBU-OAHLLOKOSA-N 0 3 313.445 3.295 20 30 DGEDHN N#Cc1ccccc1-c1ccc(CN2CCSC[C@@H]2CO)cc1 ZINC000343763419 254185741 /nfs/dbraw/zinc/18/57/41/254185741.db2.gz LJSJNUPCUBYADX-SFHVURJKSA-N 0 3 324.449 3.135 20 30 DGEDHN C[C@@H]1Cc2ccccc2N1CCNCc1ccc(C#N)cc1F ZINC000343786407 254188626 /nfs/dbraw/zinc/18/86/26/254188626.db2.gz PZFXORKYXGASFY-CQSZACIVSA-N 0 3 309.388 3.238 20 30 DGEDHN CCn1c2ccc(C#N)cc2nc1NC(=O)C(C)C(F)(F)F ZINC000343947599 254205586 /nfs/dbraw/zinc/20/55/86/254205586.db2.gz IRTLFFPFDVYKNZ-QMMMGPOBSA-N 0 3 310.279 3.065 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000378333008 533162770 /nfs/dbraw/zinc/16/27/70/533162770.db2.gz HLOUIWJZLSSOLX-DOTOQJQBSA-N 0 3 324.428 3.091 20 30 DGEDHN COc1cc2c(cc1OC)CN(CC(C)(C)CCC#N)CC2 ZINC000179553861 533170997 /nfs/dbraw/zinc/17/09/97/533170997.db2.gz BAWJWBZIGKHXQG-UHFFFAOYSA-N 0 3 302.418 3.392 20 30 DGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000120803414 195240612 /nfs/dbraw/zinc/24/06/12/195240612.db2.gz FUQHOLZEJUNTJW-YPMHNXCESA-N 0 3 305.447 3.363 20 30 DGEDHN CCOc1cccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000271613484 209060706 /nfs/dbraw/zinc/06/07/06/209060706.db2.gz AGEDXDHZKLLWEF-AUUYWEPGSA-N 0 3 310.397 3.341 20 30 DGEDHN CCCO[C@H]1CCCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120912428 195263399 /nfs/dbraw/zinc/26/33/99/195263399.db2.gz KSZOYMIZASPSDI-KRWDZBQOSA-N 0 3 302.418 3.348 20 30 DGEDHN C[C@]1(CNCc2ccc(C#N)cc2F)OCCc2sccc21 ZINC000289763139 221208712 /nfs/dbraw/zinc/20/87/12/221208712.db2.gz JBYHIDXLXABCDZ-QGZVFWFLSA-N 0 3 316.401 3.337 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000271623979 209070164 /nfs/dbraw/zinc/07/01/64/209070164.db2.gz DNTJHWYFAZIFJD-IEBWSBKVSA-N 0 3 310.397 3.039 20 30 DGEDHN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000271910375 533497987 /nfs/dbraw/zinc/49/79/87/533497987.db2.gz XUHOWQOVYRKUHU-NWDGAFQWSA-N 0 3 316.323 3.207 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000471980332 533509097 /nfs/dbraw/zinc/50/90/97/533509097.db2.gz UXZYHWHZSBFWDE-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN C[C@@H](O)C(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331348049 533577619 /nfs/dbraw/zinc/57/76/19/533577619.db2.gz MSEWGCDVXAYDDS-CQSZACIVSA-N 0 3 304.434 3.137 20 30 DGEDHN COc1cccc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000271627780 209073113 /nfs/dbraw/zinc/07/31/13/209073113.db2.gz FGALEZSIZRGWFN-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595047526 400088256 /nfs/dbraw/zinc/08/82/56/400088256.db2.gz DSKBEPNQJSFMKK-IGCXYCKISA-N 0 3 320.389 3.235 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2ccccc2nc1OC ZINC000584698789 400089837 /nfs/dbraw/zinc/08/98/37/400089837.db2.gz BRLXOOYINCNPTM-QAPCUYQASA-N 0 3 312.413 3.314 20 30 DGEDHN C[C@H](NCCc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000595057837 400094065 /nfs/dbraw/zinc/09/40/65/400094065.db2.gz XTFCIXLIUXZISQ-AWEZNQCLSA-N 0 3 304.397 3.338 20 30 DGEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000066527278 400096379 /nfs/dbraw/zinc/09/63/79/400096379.db2.gz CIRXJILOQLCVIB-UHFFFAOYSA-N 0 3 318.848 3.037 20 30 DGEDHN CNCc1ccccc1NC(=O)NCC1(C#N)CCCCC1 ZINC000595237129 400112840 /nfs/dbraw/zinc/11/28/40/400112840.db2.gz XPLYDJHYLRHCKA-UHFFFAOYSA-N 0 3 300.406 3.002 20 30 DGEDHN CC(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000008002934 400116054 /nfs/dbraw/zinc/11/60/54/400116054.db2.gz HCGDKSXAOMAXKF-MSOLQXFVSA-N 0 3 301.434 3.028 20 30 DGEDHN CC(C)[C@H](NCC#Cc1ccc(Cl)cc1)C1(CO)CCC1 ZINC000581561809 400080127 /nfs/dbraw/zinc/08/01/27/400080127.db2.gz LOOHWZUBPNUBBD-KRWDZBQOSA-N 0 3 305.849 3.468 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C2CCCC2)CC1 ZINC000608502333 400081622 /nfs/dbraw/zinc/08/16/22/400081622.db2.gz UOCLHSGKGDZZBL-INIZCTEOSA-N 0 3 304.478 3.478 20 30 DGEDHN COc1c(C)cnc(CN(C)CCc2ccc(C#N)cc2)c1C ZINC000595509107 400172284 /nfs/dbraw/zinc/17/22/84/400172284.db2.gz PRORFKVOMLTKIG-UHFFFAOYSA-N 0 3 309.413 3.253 20 30 DGEDHN C[C@H](c1ccncc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000609536540 400174391 /nfs/dbraw/zinc/17/43/91/400174391.db2.gz WBXVQAHDKKDKNL-MRXNPFEDSA-N 0 3 306.413 3.227 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CCCCC2)C1 ZINC000609541340 400174489 /nfs/dbraw/zinc/17/44/89/400174489.db2.gz HXMVUTBRWUOQJJ-SJLPKXTDSA-N 0 3 319.493 3.476 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000018019148 400181271 /nfs/dbraw/zinc/18/12/71/400181271.db2.gz WWNLKGUMLBDIDR-LJQANCHMSA-N 0 3 321.424 3.371 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN(C)CC(C)(C)C ZINC000608886407 400130668 /nfs/dbraw/zinc/13/06/68/400130668.db2.gz LEQNIDMRYUTXRJ-UHFFFAOYSA-N 0 3 315.461 3.273 20 30 DGEDHN C[C@@H]1CCN(c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000091729307 400133430 /nfs/dbraw/zinc/13/34/30/400133430.db2.gz JZLLHCZGAIJZOT-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H]1C[C@H](Nc2cnccc2C#N)CCN1Cc1ccccc1 ZINC000091734705 400134753 /nfs/dbraw/zinc/13/47/53/400134753.db2.gz IKYHFSSUEBCARA-MAUKXSAKSA-N 0 3 306.413 3.418 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc2n1CCCC2 ZINC000585765691 400139370 /nfs/dbraw/zinc/13/93/70/400139370.db2.gz SROYIKPHJFQFHR-GOSISDBHSA-N 0 3 306.413 3.258 20 30 DGEDHN C[C@H](c1cccs1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000314752418 400141708 /nfs/dbraw/zinc/14/17/08/400141708.db2.gz YEQNLHGWQGEFHB-HIFRSBDPSA-N 0 3 316.426 3.052 20 30 DGEDHN Cc1ccnc(OC2CCN(CCc3ccc(C#N)cc3)CC2)c1 ZINC000595424601 400145888 /nfs/dbraw/zinc/14/58/88/400145888.db2.gz HDAPUNRWPIBUHS-UHFFFAOYSA-N 0 3 321.424 3.348 20 30 DGEDHN COc1ccc(C2(NCc3cccc(C#N)c3)CCOCC2)cc1 ZINC000609358261 400162272 /nfs/dbraw/zinc/16/22/72/400162272.db2.gz WNWDGVMQFMPHMT-UHFFFAOYSA-N 0 3 322.408 3.362 20 30 DGEDHN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1 ZINC000067368859 400164259 /nfs/dbraw/zinc/16/42/59/400164259.db2.gz JTQZIQORWPDSQF-OAHLLOKOSA-N 0 3 318.783 3.461 20 30 DGEDHN CC[C@H](C)N(CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595496276 400167729 /nfs/dbraw/zinc/16/77/29/400167729.db2.gz GALZNQCKMSUBON-NSHDSACASA-N 0 3 300.324 3.170 20 30 DGEDHN C=CCC1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595780622 400256661 /nfs/dbraw/zinc/25/66/61/400256661.db2.gz WNKLJQRCOFTZRP-UHFFFAOYSA-N 0 3 303.362 3.012 20 30 DGEDHN C[C@H](CNC(=O)c1ccccc1CC#N)N(C)Cc1ccccc1 ZINC000601149814 400249077 /nfs/dbraw/zinc/24/90/77/400249077.db2.gz SJQPAWQJLXEGNA-MRXNPFEDSA-N 0 3 321.424 3.003 20 30 DGEDHN Cc1cccc(NC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000609846048 400195100 /nfs/dbraw/zinc/19/51/00/400195100.db2.gz WKMPSRCXLAGFKT-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCCCC#N ZINC000588164071 400195182 /nfs/dbraw/zinc/19/51/82/400195182.db2.gz ILVYOPYBLQSABJ-FUHWJXTLSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000595602024 400199752 /nfs/dbraw/zinc/19/97/52/400199752.db2.gz FSQCUJHIHXGUFE-GOEBONIOSA-N 0 3 315.417 3.431 20 30 DGEDHN CC(C)c1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000609920110 400201278 /nfs/dbraw/zinc/20/12/78/400201278.db2.gz IACSKPZXWLKWIU-AWEZNQCLSA-N 0 3 300.402 3.339 20 30 DGEDHN N#CC[C@H]1CCCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC000595609994 400205237 /nfs/dbraw/zinc/20/52/37/400205237.db2.gz RKKSHCRQNQPBAO-AEFFLSMTSA-N 0 3 324.424 3.205 20 30 DGEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CCOCC1)CC(C)C ZINC000595768259 400254396 /nfs/dbraw/zinc/25/43/96/400254396.db2.gz HPYTXEOCRNIVAB-GOSISDBHSA-N 0 3 316.445 3.215 20 30 DGEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000595620779 400209829 /nfs/dbraw/zinc/20/98/29/400209829.db2.gz QQFPYUBZGGPZPD-ZDUSSCGKSA-N 0 3 305.809 3.294 20 30 DGEDHN COc1ccc([C@H](NCCOCCC#N)c2ccccc2)cc1 ZINC000595636739 400213698 /nfs/dbraw/zinc/21/36/98/400213698.db2.gz SSTDEEJCNZWDNL-LJQANCHMSA-N 0 3 310.397 3.304 20 30 DGEDHN CCC(C)(C)[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000595639604 400214792 /nfs/dbraw/zinc/21/47/92/400214792.db2.gz VBVTYHVVMAWAOB-OAHLLOKOSA-N 0 3 301.434 3.348 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC2(CCCC2)CC1 ZINC000595642164 400216223 /nfs/dbraw/zinc/21/62/23/400216223.db2.gz PVGFQWRZTJUDHS-QGZVFWFLSA-N 0 3 305.466 3.087 20 30 DGEDHN CN(C)CCN(Cc1cccs1)C(=O)CCCCCC#N ZINC000588637671 400217665 /nfs/dbraw/zinc/21/76/65/400217665.db2.gz BLWNOSAIRBRBKH-UHFFFAOYSA-N 0 3 307.463 3.112 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000589162601 400267704 /nfs/dbraw/zinc/26/77/04/400267704.db2.gz ORBKIIBQTMXFKU-BPNCWPANSA-N 0 3 300.324 3.157 20 30 DGEDHN CC(C)[C@H](N[C@H](C)c1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC000589162596 400267993 /nfs/dbraw/zinc/26/79/93/400267993.db2.gz OEQHLTXHLRYFBD-SWHYSGLUSA-N 0 3 300.324 3.157 20 30 DGEDHN COc1ccc([C@@H](CNc2cnccc2C#N)N2CCCC2)cc1 ZINC000094131595 400268331 /nfs/dbraw/zinc/26/83/31/400268331.db2.gz XHMNPXAWHQUDGV-LJQANCHMSA-N 0 3 322.412 3.211 20 30 DGEDHN N#Cc1ccncc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000094151985 400270995 /nfs/dbraw/zinc/27/09/95/400270995.db2.gz FNSFDJJXSPVWBJ-AWEZNQCLSA-N 0 3 312.442 3.339 20 30 DGEDHN COc1ccc(CN2CC[C@@H](N(C)c3ccccc3)C2)cc1C#N ZINC000595828670 400272747 /nfs/dbraw/zinc/27/27/47/400272747.db2.gz VBARKOIXFGVUCR-LJQANCHMSA-N 0 3 321.424 3.278 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N(CCC3CC3)CC3CC3)C2=O)cc1 ZINC000595871908 400283132 /nfs/dbraw/zinc/28/31/32/400283132.db2.gz TYHZRELREYQNCH-IBGZPJMESA-N 0 3 323.440 3.176 20 30 DGEDHN N#Cc1cccc(C(=O)Nc2cccc(CN3CCCCC3)c2)n1 ZINC000589302308 400286043 /nfs/dbraw/zinc/28/60/43/400286043.db2.gz RUDIKPXFAOOACB-UHFFFAOYSA-N 0 3 320.396 3.191 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000610672392 400287562 /nfs/dbraw/zinc/28/75/62/400287562.db2.gz QZCYBYLAZGONRO-GXFFZTMASA-N 0 3 307.191 3.272 20 30 DGEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000589341807 400290043 /nfs/dbraw/zinc/29/00/43/400290043.db2.gz WWINIIOHRRIORD-BZNIZROVSA-N 0 3 318.380 3.478 20 30 DGEDHN N#Cc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c(F)c1 ZINC000595904635 400292315 /nfs/dbraw/zinc/29/23/15/400292315.db2.gz JJFNBQJAQKQKRP-HDICACEKSA-N 0 3 300.377 3.090 20 30 DGEDHN CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1c1cccs1 ZINC000595947762 400296939 /nfs/dbraw/zinc/29/69/39/400296939.db2.gz NWAQTSAQQBFBHS-GXTWGEPZSA-N 0 3 305.447 3.069 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000069046302 400307327 /nfs/dbraw/zinc/30/73/27/400307327.db2.gz OSIAANLKPFFYTC-IBGZPJMESA-N 0 3 324.468 3.261 20 30 DGEDHN Cc1cc(N[C@H](C)CN2CCCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596075518 400309827 /nfs/dbraw/zinc/30/98/27/400309827.db2.gz FNCFGEXWVOUVIT-CYBMUJFWSA-N 0 3 302.378 3.061 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000106038027 400325200 /nfs/dbraw/zinc/32/52/00/400325200.db2.gz SIYOQWOBCCWBEW-IAGOWNOFSA-N 0 3 304.478 3.382 20 30 DGEDHN CN(C)CCn1nc(C(F)(F)F)cc1-c1ccc(C#N)cc1 ZINC000601933678 400379411 /nfs/dbraw/zinc/37/94/11/400379411.db2.gz RSUPAENQAIGXFN-UHFFFAOYSA-N 0 3 308.307 3.002 20 30 DGEDHN Cc1cc(N[C@@H]2CCN(C(C)(C)C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000596337065 400384370 /nfs/dbraw/zinc/38/43/70/400384370.db2.gz TVFBHWQFGPTMOI-CYBMUJFWSA-N 0 3 302.378 3.060 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611388246 400389751 /nfs/dbraw/zinc/38/97/51/400389751.db2.gz MHZQWZMOGURGNR-CQSZACIVSA-N 0 3 318.380 3.109 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000611388247 400390124 /nfs/dbraw/zinc/39/01/24/400390124.db2.gz ZGAGPRMYEYMUQV-CQSZACIVSA-N 0 3 318.380 3.109 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)c3ccccc32)CC1 ZINC000106341165 400326534 /nfs/dbraw/zinc/32/65/34/400326534.db2.gz SEAROCRFQZTIQT-OAHLLOKOSA-N 0 3 313.445 3.360 20 30 DGEDHN N#CCc1ccc(CN[C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000578532403 400329573 /nfs/dbraw/zinc/32/95/73/400329573.db2.gz MTEDSZGCPQPHDU-KRWDZBQOSA-N 0 3 305.381 3.316 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1ccccn1 ZINC000578703461 400330631 /nfs/dbraw/zinc/33/06/31/400330631.db2.gz ODVZVZAGIDPSFD-INIZCTEOSA-N 0 3 304.349 3.481 20 30 DGEDHN CCCc1cc(NC2CCN(CC#N)CC2)c2ccccc2n1 ZINC000611030273 400339495 /nfs/dbraw/zinc/33/94/95/400339495.db2.gz VUOOWSNJDTYFLV-UHFFFAOYSA-N 0 3 308.429 3.009 20 30 DGEDHN CC(C#N)C(=O)N(C)Cc1ccccc1OCc1ccccc1 ZINC000601760702 400345463 /nfs/dbraw/zinc/34/54/63/400345463.db2.gz IOFNBIDKWMRHPV-OAHLLOKOSA-N 0 3 308.381 3.384 20 30 DGEDHN N#CC1(CCN2CCC([C@H](O)C(F)(F)F)CC2)CCCCC1 ZINC000580819639 400347574 /nfs/dbraw/zinc/34/75/74/400347574.db2.gz QEVRUXRNTZOGQM-AWEZNQCLSA-N 0 3 318.383 3.486 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOc1ncccc1F ZINC000611394466 400392854 /nfs/dbraw/zinc/39/28/54/400392854.db2.gz KQQQWAIPEOUZLC-KRWDZBQOSA-N 0 3 311.360 3.138 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(OCc3ccccc3F)CC2)C1 ZINC000590168656 400366612 /nfs/dbraw/zinc/36/66/12/400366612.db2.gz KWROTEBIQDGAPZ-HOCLYGCPSA-N 0 3 302.393 3.499 20 30 DGEDHN C[C@H]1COCCCN1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000611272354 400371750 /nfs/dbraw/zinc/37/17/50/400371750.db2.gz BBYMJNQPTPXUBX-INIZCTEOSA-N 0 3 324.428 3.075 20 30 DGEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)cc(C#N)c1[N+](=O)[O-] ZINC000596297587 400374134 /nfs/dbraw/zinc/37/41/34/400374134.db2.gz RKWZBGVDGQBDTA-HOTGVXAUSA-N 0 3 314.389 3.204 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@H](OC)C(C)C)ccc1OC ZINC000072924633 400414924 /nfs/dbraw/zinc/41/49/24/400414924.db2.gz XFRXABLTUHLVPR-GOSISDBHSA-N 0 3 307.434 3.411 20 30 DGEDHN N#Cc1ccc(NCC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000596440481 400415385 /nfs/dbraw/zinc/41/53/85/400415385.db2.gz LNAFFZPFEJAKAX-UHFFFAOYSA-N 0 3 324.403 3.416 20 30 DGEDHN CCOC(=O)c1cc(CN[C@H]2CCc3cc(C#N)ccc32)[nH]c1C ZINC000590653802 400409993 /nfs/dbraw/zinc/40/99/93/400409993.db2.gz YONKDMPVGUEDHQ-SFHVURJKSA-N 0 3 323.396 3.149 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C)[C@H](C)C1 ZINC000072871045 400410608 /nfs/dbraw/zinc/41/06/08/400410608.db2.gz QGSYJPXXJDHHRD-UTUOFQBUSA-N 0 3 305.809 3.126 20 30 DGEDHN CC(C#N)C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000602179243 400420837 /nfs/dbraw/zinc/42/08/37/400420837.db2.gz DYXBKCNKAVISNJ-LBPRGKRZSA-N 0 3 319.474 3.381 20 30 DGEDHN C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CCN(C2CC2)C1 ZINC000590703955 400420017 /nfs/dbraw/zinc/42/00/17/400420017.db2.gz LQJYOUBEWFRZNV-AWEZNQCLSA-N 0 3 312.461 3.171 20 30 DGEDHN C=C(C)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042743218 400440475 /nfs/dbraw/zinc/44/04/75/400440475.db2.gz RPRXYABPQNQGMU-UHFFFAOYSA-N 0 3 308.809 3.272 20 30 DGEDHN CCCN(CC(=O)Nc1ccccc1OC)C[C@H](C)CCC#N ZINC000602435337 400460715 /nfs/dbraw/zinc/46/07/15/400460715.db2.gz SMKBVOLKMZRTED-OAHLLOKOSA-N 0 3 317.433 3.286 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000617779869 400453071 /nfs/dbraw/zinc/45/30/71/400453071.db2.gz JUMXJRILCUPXAA-WMZOPIPTSA-N 0 3 300.446 3.494 20 30 DGEDHN C[C@H](CCC#N)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000602437135 400460640 /nfs/dbraw/zinc/46/06/40/400460640.db2.gz VGGOGMPNPYPCHF-KGLIPLIRSA-N 0 3 308.447 3.023 20 30 DGEDHN C[C@H](CNCc1cccc(C#N)n1)Oc1ccc(Cl)cc1 ZINC000602571878 400500603 /nfs/dbraw/zinc/50/06/03/400500603.db2.gz VYWLQQHMGQIKKP-GFCCVEGCSA-N 0 3 301.777 3.164 20 30 DGEDHN C[C@H](CCC#N)CN[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000602584548 400505023 /nfs/dbraw/zinc/50/50/23/400505023.db2.gz FVGQSTIETICZIL-IAQYHMDHSA-N 0 3 323.799 3.114 20 30 DGEDHN C[C@@H](NC(=O)C[C@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000591318580 400509838 /nfs/dbraw/zinc/50/98/38/400509838.db2.gz NEMZECNBKYJLMQ-DNVCBOLYSA-N 0 3 321.424 3.428 20 30 DGEDHN CN(C)Cc1ccc(F)c(-c2cccc(C[C@H](C#N)CO)c2)c1 ZINC000596640965 400469047 /nfs/dbraw/zinc/46/90/47/400469047.db2.gz SDDYACWLJCNOMU-MRXNPFEDSA-N 0 3 312.388 3.229 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596640949 400469170 /nfs/dbraw/zinc/46/91/70/400469170.db2.gz RNBXINZJXPKKRP-ZDUSSCGKSA-N 0 3 320.824 3.206 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)[C@H]1SC ZINC000590962131 400470074 /nfs/dbraw/zinc/47/00/74/400470074.db2.gz MFRUXXFJUPQIKF-MWDXBVQZSA-N 0 3 302.443 3.044 20 30 DGEDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)C[C@@H](C)CCC#N ZINC000602471605 400471501 /nfs/dbraw/zinc/47/15/01/400471501.db2.gz BRKNZAHVRZICPE-ZDUSSCGKSA-N 0 3 324.371 3.270 20 30 DGEDHN CN(C)Cc1ccccc1CNC(=O)CC1(C#N)CCCCC1 ZINC000596667126 400475871 /nfs/dbraw/zinc/47/58/71/400475871.db2.gz CRBITWPIEOGUPT-UHFFFAOYSA-N 0 3 313.445 3.229 20 30 DGEDHN C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000591022914 400476914 /nfs/dbraw/zinc/47/69/14/400476914.db2.gz ACUVLLSMELPHOG-ACJLOTCBSA-N 0 3 305.381 3.162 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000591088339 400485635 /nfs/dbraw/zinc/48/56/35/400485635.db2.gz TWUXQXLUDJPLOL-GUDVDZBRSA-N 0 3 321.424 3.183 20 30 DGEDHN COc1ccc(Br)c(CNC[C@H](C)CCC#N)c1 ZINC000602531629 400490125 /nfs/dbraw/zinc/49/01/25/400490125.db2.gz ZAVRTXJKXBYQDQ-LLVKDONJSA-N 0 3 311.223 3.487 20 30 DGEDHN CC(C)(C#N)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000612585471 400570451 /nfs/dbraw/zinc/57/04/51/400570451.db2.gz GELKJAANLCKYGM-UHFFFAOYSA-N 0 3 305.853 3.444 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618352582 400571274 /nfs/dbraw/zinc/57/12/74/400571274.db2.gz QWLPVKLBHHBDND-ICSRJNTNSA-N 0 3 314.473 3.364 20 30 DGEDHN C[C@@H](CCC#N)CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000602643327 400522574 /nfs/dbraw/zinc/52/25/74/400522574.db2.gz DYCCZRWPQILQMG-AAEUAGOBSA-N 0 3 316.323 3.148 20 30 DGEDHN C[C@H](CCC#N)CNCc1ccncc1OCC(F)(F)F ZINC000602654731 400526226 /nfs/dbraw/zinc/52/62/26/400526226.db2.gz JACHNWGVYSQQDT-LLVKDONJSA-N 0 3 301.312 3.052 20 30 DGEDHN CCOC(=O)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596978453 400532463 /nfs/dbraw/zinc/53/24/63/400532463.db2.gz YVXXOHWVBJICAH-UHFFFAOYSA-N 0 3 312.413 3.017 20 30 DGEDHN CC[C@H]1Oc2cc([C@@H](C)NCC3(CC#N)CC3)ccc2NC1=O ZINC000602803930 400578924 /nfs/dbraw/zinc/57/89/24/400578924.db2.gz FJLWLGUJEZOLNM-IUODEOHRSA-N 0 3 313.401 3.141 20 30 DGEDHN N#CCC1(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000602802213 400578967 /nfs/dbraw/zinc/57/89/67/400578967.db2.gz PEHSCUYXLYDGNP-UHFFFAOYSA-N 0 3 312.339 3.233 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Cl)c[nH]1)C(C)C ZINC000046049196 400547138 /nfs/dbraw/zinc/54/71/38/400547138.db2.gz BKTVJSNPSRJQJN-OAHLLOKOSA-N 0 3 309.841 3.097 20 30 DGEDHN CCc1ccc(N2CCN(CCCSCC#N)CC2)cc1 ZINC000074991879 400551189 /nfs/dbraw/zinc/55/11/89/400551189.db2.gz WYIYAWKQSSZGJU-UHFFFAOYSA-N 0 3 303.475 3.018 20 30 DGEDHN N#CCC[C@H](C#N)CNC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000591728232 400552842 /nfs/dbraw/zinc/55/28/42/400552842.db2.gz CCVYZJHQZQFECH-HUUCEWRRSA-N 0 3 316.836 3.199 20 30 DGEDHN C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602726280 400553265 /nfs/dbraw/zinc/55/32/65/400553265.db2.gz PHZHCRLKYLVLCF-SMDDNHRTSA-N 0 3 323.799 3.114 20 30 DGEDHN N#CC1(CC(=O)N2CCC[C@H]2CN2CCCCC2)CCCCC1 ZINC000597117820 400562713 /nfs/dbraw/zinc/56/27/13/400562713.db2.gz XHMLJXAAMGQDCO-KRWDZBQOSA-N 0 3 317.477 3.327 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc(CC)s1)C(C)C ZINC000139950765 400613579 /nfs/dbraw/zinc/61/35/79/400613579.db2.gz WUYAJWMSOAPGAB-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(C#N)c1 ZINC000612876320 400621404 /nfs/dbraw/zinc/62/14/04/400621404.db2.gz GQWHBQWUGYYIAO-HNAYVOBHSA-N 0 3 306.413 3.276 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](Cc2ccccc2)C1 ZINC000592323233 400634916 /nfs/dbraw/zinc/63/49/16/400634916.db2.gz MHUSZWLMVZSXRK-LJQANCHMSA-N 0 3 314.473 3.366 20 30 DGEDHN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000618604278 400639904 /nfs/dbraw/zinc/63/99/04/400639904.db2.gz CAIGMPIPOMMPJV-QGZVFWFLSA-N 0 3 314.429 3.278 20 30 DGEDHN N#CCCOCCN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602919058 400605722 /nfs/dbraw/zinc/60/57/22/400605722.db2.gz WADGQGRZKUVZDN-HXUWFJFHSA-N 0 3 324.424 3.152 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@](C)(CC)c1ccc(F)cc1 ZINC000602924241 400608908 /nfs/dbraw/zinc/60/89/08/400608908.db2.gz MMFTXWPLGOKODZ-RDTXWAMCSA-N 0 3 319.424 3.049 20 30 DGEDHN CC(C)(C#N)CCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603142091 400647815 /nfs/dbraw/zinc/64/78/15/400647815.db2.gz BKMKLYZWAVLVND-ZIAGYGMSSA-N 0 3 314.351 3.050 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000048230270 400649993 /nfs/dbraw/zinc/64/99/93/400649993.db2.gz QGSHMBJTRODVJJ-CVEARBPZSA-N 0 3 316.445 3.102 20 30 DGEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000603847462 400723184 /nfs/dbraw/zinc/72/31/84/400723184.db2.gz XPVNBQNFHYQREA-IKGGRYGDSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077579475 400728762 /nfs/dbraw/zinc/72/87/62/400728762.db2.gz LZAWKORSFHUCHK-IRXDYDNUSA-N 0 3 315.461 3.257 20 30 DGEDHN N#Cc1ccccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000592998389 400729979 /nfs/dbraw/zinc/72/99/79/400729979.db2.gz TWQHSERZXLEXLM-VXGBXAGGSA-N 0 3 312.291 3.244 20 30 DGEDHN CC(C)(C)CCN1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000603942743 400735161 /nfs/dbraw/zinc/73/51/61/400735161.db2.gz UEKBHKDDLLEONW-UHFFFAOYSA-N 0 3 312.461 3.000 20 30 DGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000613540351 400744500 /nfs/dbraw/zinc/74/45/00/400744500.db2.gz LMYXSKVCEOZUJR-UKRRQHHQSA-N 0 3 301.390 3.445 20 30 DGEDHN Cc1cc(C#N)cc(C)c1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000154157475 400691761 /nfs/dbraw/zinc/69/17/61/400691761.db2.gz OGCLTDTZCGWMFP-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN N#CC[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000597911183 400694523 /nfs/dbraw/zinc/69/45/23/400694523.db2.gz HNZFJXVRHVXRPR-MRXNPFEDSA-N 0 3 311.429 3.048 20 30 DGEDHN COc1cc(C#N)ccc1OCCNC1(c2ccccc2)CC1 ZINC000077280712 400704126 /nfs/dbraw/zinc/70/41/26/400704126.db2.gz AJSORXRKKUVEGE-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000171734619 400805229 /nfs/dbraw/zinc/80/52/29/400805229.db2.gz QZGKTDKHDOFDOB-NVXWUHKLSA-N 0 3 307.482 3.151 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000598452840 400815329 /nfs/dbraw/zinc/81/53/29/400815329.db2.gz MVEYBBRPYVFDGT-IINYFYTJSA-N 0 3 321.218 3.492 20 30 DGEDHN CN1CCN(Cc2ccc(CC#N)cc2)[C@H](Cc2ccccc2)C1 ZINC000593088605 400758271 /nfs/dbraw/zinc/75/82/71/400758271.db2.gz ILCAPMGVRDSHHW-OAQYLSRUSA-N 0 3 319.452 3.111 20 30 DGEDHN CC(C)(C)OC(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000613661480 400771298 /nfs/dbraw/zinc/77/12/98/400771298.db2.gz RTXXJHPPMMYUBC-BBRMVZONSA-N 0 3 300.402 3.424 20 30 DGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(C#N)ccc1Cl ZINC000598261310 400771618 /nfs/dbraw/zinc/77/16/18/400771618.db2.gz QGYBNKXQISOEEK-ZDUSSCGKSA-N 0 3 319.836 3.062 20 30 DGEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598299585 400776415 /nfs/dbraw/zinc/77/64/15/400776415.db2.gz PRJDALFEUMADGG-IIDMSEBBSA-N 0 3 309.413 3.278 20 30 DGEDHN CC(C)[C@@H](C(=O)NCC1(C#N)CCCCC1)N1CCCCC1 ZINC000598307360 400779884 /nfs/dbraw/zinc/77/98/84/400779884.db2.gz MTAOEIUOQRHJTR-INIZCTEOSA-N 0 3 305.466 3.087 20 30 DGEDHN C=CCSCCNCc1cn(-c2cccc(C)c2)nc1C ZINC000593597179 400877866 /nfs/dbraw/zinc/87/78/66/400877866.db2.gz VOLVMARJDSORGN-UHFFFAOYSA-N 0 3 301.459 3.498 20 30 DGEDHN CN(Cc1ccccc1N1CCCC1)C[C@H](O)CC(C)(C)C#N ZINC000598585030 400835924 /nfs/dbraw/zinc/83/59/24/400835924.db2.gz OEDMGHFYXPXSMB-QGZVFWFLSA-N 0 3 315.461 3.019 20 30 DGEDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000078973518 400836979 /nfs/dbraw/zinc/83/69/79/400836979.db2.gz CEBRDAWCPYPVOL-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598612726 400843961 /nfs/dbraw/zinc/84/39/61/400843961.db2.gz CYIDZAWCLMJMFN-CVEARBPZSA-N 0 3 324.852 3.260 20 30 DGEDHN Cn1cc(CN2CC(CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000598679160 400856731 /nfs/dbraw/zinc/85/67/31/400856731.db2.gz YOYQOQIBQXBCQQ-UHFFFAOYSA-N 0 3 306.413 3.191 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000598699456 400859877 /nfs/dbraw/zinc/85/98/77/400859877.db2.gz FBWIANIEIPFSEI-BXUZGUMPSA-N 0 3 308.809 3.054 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(C(F)(F)F)c1 ZINC000598704549 400861747 /nfs/dbraw/zinc/86/17/47/400861747.db2.gz RMYSHDHJPOWVNY-CYBMUJFWSA-N 0 3 300.324 3.096 20 30 DGEDHN N#C[C@H]1CC[C@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599064408 400945932 /nfs/dbraw/zinc/94/59/32/400945932.db2.gz MFEHPXCPMKFAJQ-MUYACECFSA-N 0 3 310.319 3.203 20 30 DGEDHN C[C@H](NC[C@H]1CCCN1CC(F)F)c1ccc(C#N)cc1F ZINC000599067227 400948434 /nfs/dbraw/zinc/94/84/34/400948434.db2.gz YWLVFSIUEFTXGJ-WCQYABFASA-N 0 3 311.351 3.077 20 30 DGEDHN C=CCN(CCO[C@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000181650927 400889449 /nfs/dbraw/zinc/88/94/49/400889449.db2.gz XIZNBTGLZDVKMW-SFHVURJKSA-N 0 3 305.418 3.226 20 30 DGEDHN N#CC(C(=O)c1cccc2c1OCO2)c1ccc2ccccc2n1 ZINC000614381387 400890195 /nfs/dbraw/zinc/89/01/95/400890195.db2.gz JZSFATAANVBYGS-CQSZACIVSA-N 0 3 316.316 3.454 20 30 DGEDHN C=C[C@H](Nc1cccc2c1CN([C@@H](C)C(C)C)C2)C(=O)OC ZINC000619734816 400895327 /nfs/dbraw/zinc/89/53/27/400895327.db2.gz TUWWMKVGNNZHDO-BBRMVZONSA-N 0 3 302.418 3.186 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000614407705 400896340 /nfs/dbraw/zinc/89/63/40/400896340.db2.gz XGCRLGOUCSPDGS-JLCFBVMHSA-N 0 3 312.438 3.455 20 30 DGEDHN C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593704050 400896432 /nfs/dbraw/zinc/89/64/32/400896432.db2.gz YJNYONBTTCEUPX-INIZCTEOSA-N 0 3 320.440 3.268 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000614407703 400896390 /nfs/dbraw/zinc/89/63/90/400896390.db2.gz XGCRLGOUCSPDGS-FPTDNZKUSA-N 0 3 312.438 3.455 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000183210952 400899547 /nfs/dbraw/zinc/89/95/47/400899547.db2.gz FTGCKJDBCWJLIU-BEFAXECRSA-N 0 3 315.461 3.290 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000183208826 400899683 /nfs/dbraw/zinc/89/96/83/400899683.db2.gz NPYODAQLQLMZBC-MOPGFXCFSA-N 0 3 315.461 3.336 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000619758563 400900693 /nfs/dbraw/zinc/90/06/93/400900693.db2.gz ZXDTUMQERMICQJ-BLLLJJGKSA-N 0 3 309.394 3.179 20 30 DGEDHN C[C@@H](C#N)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000183841188 400901947 /nfs/dbraw/zinc/90/19/47/400901947.db2.gz SPGBZCFFZJKRQA-LBPRGKRZSA-N 0 3 309.816 3.193 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785404 400906980 /nfs/dbraw/zinc/90/69/80/400906980.db2.gz FBMMPIHLVDKJGA-UHFFFAOYSA-N 0 3 309.369 3.449 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000079941735 400907247 /nfs/dbraw/zinc/90/72/47/400907247.db2.gz AJLDTPHUUNGWSA-KRWDZBQOSA-N 0 3 321.852 3.389 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000079941729 400907258 /nfs/dbraw/zinc/90/72/58/400907258.db2.gz AJLDTPHUUNGWSA-QGZVFWFLSA-N 0 3 321.852 3.389 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H](CC)CO1 ZINC000593790693 400910997 /nfs/dbraw/zinc/91/09/97/400910997.db2.gz ISYVXSFRSVJRIA-KZNAEPCWSA-N 0 3 314.429 3.175 20 30 DGEDHN Cc1csc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594103693 400987664 /nfs/dbraw/zinc/98/76/64/400987664.db2.gz GUFZSCYRKFMNES-ZIAGYGMSSA-N 0 3 318.446 3.067 20 30 DGEDHN Cc1ccc(CN2CCC[C@H](c3ccnc(C)n3)C2)cc1C#N ZINC000599267729 401005379 /nfs/dbraw/zinc/00/53/79/401005379.db2.gz ZEOZPAPZCUUHQA-KRWDZBQOSA-N 0 3 306.413 3.345 20 30 DGEDHN Cc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1C#N ZINC000599305683 401017050 /nfs/dbraw/zinc/01/70/50/401017050.db2.gz BDHZEDKVSCDVEI-HXUWFJFHSA-N 0 3 306.409 3.349 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCN(C2CCC2)C1=O ZINC000599093747 400958160 /nfs/dbraw/zinc/95/81/60/400958160.db2.gz RCTHAKVWMGYZKZ-RBUKOAKNSA-N 0 3 323.440 3.069 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H](CC(=O)OC(C)C)C(C)C ZINC000594041898 400959938 /nfs/dbraw/zinc/95/99/38/400959938.db2.gz ANZINFRCWRCHIR-MRXNPFEDSA-N 0 3 318.417 3.023 20 30 DGEDHN N#Cc1cc2cccnc2nc1NC[C@H]1CCN1C1CCCCC1 ZINC000599127962 400970010 /nfs/dbraw/zinc/97/00/10/400970010.db2.gz SBKFLHCIUNRECY-QGZVFWFLSA-N 0 3 321.428 3.320 20 30 DGEDHN CCCN(CCCCC#N)CC(=O)Nc1ccccc1OC ZINC000058340390 401049711 /nfs/dbraw/zinc/04/97/11/401049711.db2.gz XPSLMCCYYWKAIO-UHFFFAOYSA-N 0 3 303.406 3.040 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000058452442 401052435 /nfs/dbraw/zinc/05/24/35/401052435.db2.gz MEJAAROQRJXKKG-HIFRSBDPSA-N 0 3 314.433 3.109 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000594430074 401066093 /nfs/dbraw/zinc/06/60/93/401066093.db2.gz YLHPCTQLKDJYFC-KRWDZBQOSA-N 0 3 315.417 3.358 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1Cl ZINC000594445079 401071576 /nfs/dbraw/zinc/07/15/76/401071576.db2.gz OWCSVDODGZKVCQ-IINYFYTJSA-N 0 3 311.788 3.068 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000081532318 401075720 /nfs/dbraw/zinc/07/57/20/401075720.db2.gz FHWRVBCPFYASFQ-HXUWFJFHSA-N 0 3 305.425 3.265 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599339075 401026757 /nfs/dbraw/zinc/02/67/57/401026757.db2.gz FKNAANUDPPGLTJ-MRXNPFEDSA-N 0 3 314.429 3.422 20 30 DGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599345449 401028514 /nfs/dbraw/zinc/02/85/14/401028514.db2.gz QQTOLYTZNITCMM-FZMZJTMJSA-N 0 3 312.335 3.411 20 30 DGEDHN CCC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599352379 401031764 /nfs/dbraw/zinc/03/17/64/401031764.db2.gz CKOFOKJOCGMFQM-XJKSGUPXSA-N 0 3 308.372 3.450 20 30 DGEDHN Cc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1C#N ZINC000599403559 401043901 /nfs/dbraw/zinc/04/39/01/401043901.db2.gz BOUBNPRJIVBRGV-UHFFFAOYSA-N 0 3 309.369 3.449 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594603375 401127316 /nfs/dbraw/zinc/12/73/16/401127316.db2.gz URJNOBQSYRZJIB-CHWSQXEVSA-N 0 3 324.350 3.401 20 30 DGEDHN N#CC(C(=O)c1cnn(CC2CC2)c1)c1ccc2ccccc2n1 ZINC000633894271 401140948 /nfs/dbraw/zinc/14/09/48/401140948.db2.gz GYZPWLBXHQLRHT-INIZCTEOSA-N 0 3 316.364 3.331 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccccc3NC1=O)CC2 ZINC000594510806 401087428 /nfs/dbraw/zinc/08/74/28/401087428.db2.gz LASOTZMYLGOPSX-RTBURBONSA-N 0 3 317.392 3.089 20 30 DGEDHN C=CCC1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000599611270 401091167 /nfs/dbraw/zinc/09/11/67/401091167.db2.gz YUGNVVMPRKRWLQ-UHFFFAOYSA-N 0 3 317.389 3.402 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H](C)C1CCCCC1 ZINC000599633021 401096967 /nfs/dbraw/zinc/09/69/67/401096967.db2.gz KIKMECSHSGSDHI-HUUCEWRRSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)[C@@H](CNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000594520296 401097493 /nfs/dbraw/zinc/09/74/93/401097493.db2.gz ZDQYBRHUMBPPNE-CQSZACIVSA-N 0 3 308.447 3.323 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(Cc3nc(C4CCC4)no3)CC2)C1 ZINC000599640609 401099949 /nfs/dbraw/zinc/09/99/49/401099949.db2.gz AJEYMTLSTWEJQH-ZBFHGGJFSA-N 0 3 314.433 3.284 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)CCC#N)c1cc(C)ccc1C ZINC000599642098 401100015 /nfs/dbraw/zinc/10/00/15/401100015.db2.gz ZTHHWISHRVPNOX-QGZVFWFLSA-N 0 3 301.434 3.106 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1conc1C(C)C)C(C)C ZINC000625557446 401155197 /nfs/dbraw/zinc/15/51/97/401155197.db2.gz NFPSKECFGQRDPL-INIZCTEOSA-N 0 3 319.449 3.226 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1C(F)F ZINC000599904225 401158946 /nfs/dbraw/zinc/15/89/46/401158946.db2.gz YKMRMGRYOWATKR-CABCVRRESA-N 0 3 306.356 3.405 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1C(F)F ZINC000599904227 401159006 /nfs/dbraw/zinc/15/90/06/401159006.db2.gz YKMRMGRYOWATKR-HUUCEWRRSA-N 0 3 306.356 3.405 20 30 DGEDHN CN(CC1CCCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000063492378 401195704 /nfs/dbraw/zinc/19/57/04/401195704.db2.gz RACVDTUNINFEQH-SFHVURJKSA-N 0 3 311.429 3.176 20 30 DGEDHN N#Cc1ccc(CCNCc2ncccc2C(F)(F)F)cc1 ZINC000594954107 401205675 /nfs/dbraw/zinc/20/56/75/401205675.db2.gz AZXICSFHTCZTHX-UHFFFAOYSA-N 0 3 305.303 3.304 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1 ZINC000594963877 401211701 /nfs/dbraw/zinc/21/17/01/401211701.db2.gz KYWCBAIANYVMCR-QLVMHMETSA-N 0 3 307.459 3.031 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065866394 401282318 /nfs/dbraw/zinc/28/23/18/401282318.db2.gz CDMLOHVOAWEMAW-KRWDZBQOSA-N 0 3 318.436 3.462 20 30 DGEDHN C=C1CC(C)(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000630729683 401318272 /nfs/dbraw/zinc/31/82/72/401318272.db2.gz RKFNJDDJHXCTAW-UHFFFAOYSA-N 0 3 312.457 3.166 20 30 DGEDHN C=C1CC(C)(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000630764422 401324694 /nfs/dbraw/zinc/32/46/94/401324694.db2.gz OKOODLQCXCMAOI-UHFFFAOYSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@](C)(CC)CO)cc1OC ZINC000623399304 401508329 /nfs/dbraw/zinc/50/83/29/401508329.db2.gz FWTUTNTWBYACOE-MRXNPFEDSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCCC(C)(C)O)cc1OC ZINC000623496425 401532318 /nfs/dbraw/zinc/53/23/18/401532318.db2.gz VLBLCVLGAUYBHI-UHFFFAOYSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)[C@@H](C)OC)cc1OC ZINC000623504628 401535077 /nfs/dbraw/zinc/53/50/77/401535077.db2.gz XGLUYYPLVXSBCJ-NWDGAFQWSA-N 0 3 313.825 3.426 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNCc1cnc2ccccc2n1)C(C)C ZINC000628201917 401549243 /nfs/dbraw/zinc/54/92/43/401549243.db2.gz AMNSKSMENATZEV-FQEVSTJZSA-N 0 3 324.472 3.418 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(CN(C)C)cc1OC)OCC ZINC000633375223 401678119 /nfs/dbraw/zinc/67/81/19/401678119.db2.gz IADVALKXSNFGOO-MRXNPFEDSA-N 0 3 320.433 3.067 20 30 DGEDHN COc1cc(N[C@@H]2CCCN([C@H](C)CCC#N)C2)cc(OC)c1 ZINC000411382953 286238374 /nfs/dbraw/zinc/23/83/74/286238374.db2.gz LASFOCQRUVSADP-HUUCEWRRSA-N 0 3 317.433 3.272 20 30 DGEDHN C[C@@H](C#N)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000345810192 286736997 /nfs/dbraw/zinc/73/69/97/286736997.db2.gz FVEZWFYRHMHHTI-HNNXBMFYSA-N 0 3 321.424 3.191 20 30 DGEDHN C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000185944323 165023245 /nfs/dbraw/zinc/02/32/45/165023245.db2.gz UXODTHGJEKTTGM-KSSFIOAISA-N 0 3 322.412 3.371 20 30 DGEDHN N#Cc1ccc(OCCN2CCC(OC3CCCC3)CC2)cc1 ZINC000195318742 165365394 /nfs/dbraw/zinc/36/53/94/165365394.db2.gz DJQMGOYRCPNDDE-UHFFFAOYSA-N 0 3 314.429 3.361 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1cccc(C#N)c1 ZINC000171646716 432155982 /nfs/dbraw/zinc/15/59/82/432155982.db2.gz PJCPMABLKBAFSZ-MRXNPFEDSA-N 0 3 315.417 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 ZINC000171719240 432164468 /nfs/dbraw/zinc/16/44/68/432164468.db2.gz GTKKSUNOQCRPCJ-UHFFFAOYSA-N 0 3 317.820 3.202 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccccc2F)CC1 ZINC000171716527 432164941 /nfs/dbraw/zinc/16/49/41/432164941.db2.gz ABEMTXCFOBXIFE-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC000171716234 432164959 /nfs/dbraw/zinc/16/49/59/432164959.db2.gz JVUWADXONNTCHE-MRXNPFEDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2ccc(CCCC)cc2)CC1 ZINC000171722763 432165282 /nfs/dbraw/zinc/16/52/82/432165282.db2.gz XDOSRFSOLXBPLH-UHFFFAOYSA-N 0 3 314.473 3.338 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000246875102 432176507 /nfs/dbraw/zinc/17/65/07/432176507.db2.gz DLKOXSACPVICAA-ROUUACIJSA-N 0 3 319.445 3.003 20 30 DGEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)cc1F)c1ccco1 ZINC000269428640 432173425 /nfs/dbraw/zinc/17/34/25/432173425.db2.gz ONVQLMQHZYZESP-KRWDZBQOSA-N 0 3 315.392 3.463 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000190608974 432174837 /nfs/dbraw/zinc/17/48/37/432174837.db2.gz KZAKAAWNBWSHMV-DNVCBOLYSA-N 0 3 319.408 3.010 20 30 DGEDHN Cn1cc(CNCCOc2ccc(C(C)(C)C)cc2)cc1C#N ZINC000190693308 432182364 /nfs/dbraw/zinc/18/23/64/432182364.db2.gz QJDLMCRARDXYEV-UHFFFAOYSA-N 0 3 311.429 3.363 20 30 DGEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000171950829 432186448 /nfs/dbraw/zinc/18/64/48/432186448.db2.gz PJYXUDQCJBFOGV-CVEARBPZSA-N 0 3 301.434 3.300 20 30 DGEDHN C#CCOc1ccc(CNC2(c3cccc(OC)c3)CC2)cc1 ZINC000150897674 432199226 /nfs/dbraw/zinc/19/92/26/432199226.db2.gz FZXZRZXMNQICML-UHFFFAOYSA-N 0 3 307.393 3.486 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@]2(CC)CO)ccc1OC ZINC000191010265 432211062 /nfs/dbraw/zinc/21/10/62/432211062.db2.gz NDVZWJQZXIPKMF-IBGZPJMESA-N 0 3 319.445 3.387 20 30 DGEDHN C=CCN(CCCC(=O)Nc1c(C)cccc1C)CCOC ZINC000191124236 432222762 /nfs/dbraw/zinc/22/27/62/432222762.db2.gz OKBPJHMISFZGIS-UHFFFAOYSA-N 0 3 304.434 3.157 20 30 DGEDHN C=C(C)[C@H](CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)OCC ZINC000270115643 432228460 /nfs/dbraw/zinc/22/84/60/432228460.db2.gz UHYZMRPAMWNQFJ-MSOLQXFVSA-N 0 3 318.461 3.085 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)o1 ZINC000132999323 196303315 /nfs/dbraw/zinc/30/33/15/196303315.db2.gz GNKZOEQWNUMROJ-NSHDSACASA-N 0 3 319.767 3.312 20 30 DGEDHN CN(C)CCN(C(=O)Nc1ccc(F)cc1C#N)C1CCCC1 ZINC000133164860 196317611 /nfs/dbraw/zinc/31/76/11/196317611.db2.gz YKCNNYRSUKXXAG-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN C[C@H]1C[C@H](N(C)C(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000132328731 227031604 /nfs/dbraw/zinc/03/16/04/227031604.db2.gz FKNGAGVBCIVUDQ-DOTOQJQBSA-N 0 3 313.445 3.048 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153345928 227083409 /nfs/dbraw/zinc/08/34/09/227083409.db2.gz PWBADESSHSNGMG-ZACQAIPSSA-N 0 3 311.429 3.054 20 30 DGEDHN C#Cc1ccccc1CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000291431528 335082144 /nfs/dbraw/zinc/08/21/44/335082144.db2.gz YPJCZOYJCVSGQP-UHFFFAOYSA-N 0 3 306.409 3.219 20 30 DGEDHN Cc1ccccc1NC(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000174724652 228293393 /nfs/dbraw/zinc/29/33/93/228293393.db2.gz UXKHZURYIPLAQA-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN COc1cc(OC)c(OC)cc1CNCC(C)(C)CCC#N ZINC000174244617 228288942 /nfs/dbraw/zinc/28/89/42/228288942.db2.gz LRXJLFGBXXXXGM-UHFFFAOYSA-N 0 3 306.406 3.132 20 30 DGEDHN C[C@H](O)c1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181563927 228363633 /nfs/dbraw/zinc/36/36/33/228363633.db2.gz ZGEMJXZAEVOQJP-GJZGRUSLSA-N 0 3 310.397 3.493 20 30 DGEDHN C[C@H](NC[C@](C)(O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000181796670 228364167 /nfs/dbraw/zinc/36/41/67/228364167.db2.gz HLYYSQDJVYKXLT-GUYCJALGSA-N 0 3 316.426 3.209 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C(C)C ZINC000183204060 228371260 /nfs/dbraw/zinc/37/12/60/228371260.db2.gz AKFYESGBFFJSBZ-OALUTQOASA-N 0 3 313.445 3.090 20 30 DGEDHN Cc1c2ccccc2oc1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000183597760 228374223 /nfs/dbraw/zinc/37/42/23/228374223.db2.gz HKERSIGDGGMMHI-CQSZACIVSA-N 0 3 313.401 3.154 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000185856919 228399964 /nfs/dbraw/zinc/39/99/64/228399964.db2.gz KVWQBJMRMAJJIC-JQWIXIFHSA-N 0 3 324.327 3.189 20 30 DGEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(OC)c1O ZINC000298432902 228539096 /nfs/dbraw/zinc/53/90/96/228539096.db2.gz WULZEOLOSRCUNW-GFCCVEGCSA-N 0 3 312.369 3.132 20 30 DGEDHN COCC[C@@H](NCCCC1(C#N)CCOCC1)c1ccco1 ZINC000281345700 228742882 /nfs/dbraw/zinc/74/28/82/228742882.db2.gz MTEJZZMCLLLEJI-OAHLLOKOSA-N 0 3 306.406 3.047 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cncc3ccccc32)nc(C)n1 ZINC000340889603 229092561 /nfs/dbraw/zinc/09/25/61/229092561.db2.gz YWGVTTAAQWRGQT-OAHLLOKOSA-N 0 3 302.337 3.132 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000341204761 229095057 /nfs/dbraw/zinc/09/50/57/229095057.db2.gz FPFMVUQXCFCXHX-RLFYNMQTSA-N 0 3 301.434 3.089 20 30 DGEDHN N#CCCn1cc(CN[C@@H]2C[C@H]2C(F)F)c(-c2ccccc2)n1 ZINC000342191123 229109526 /nfs/dbraw/zinc/10/95/26/229109526.db2.gz KJURTWVSEYHWBQ-HUUCEWRRSA-N 0 3 316.355 3.207 20 30 DGEDHN COc1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1OCCCC#N ZINC000342233311 229109753 /nfs/dbraw/zinc/10/97/53/229109753.db2.gz SHDZOLBKCUXTIU-QWHCGFSZSA-N 0 3 310.344 3.121 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(CC#N)cc1 ZINC000343529742 229126649 /nfs/dbraw/zinc/12/66/49/229126649.db2.gz AWARXYSOZFKGEX-GOSISDBHSA-N 0 3 319.452 3.459 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000344917587 229145515 /nfs/dbraw/zinc/14/55/15/229145515.db2.gz CPBVTXQNGUVBHM-BBRMVZONSA-N 0 3 314.433 3.092 20 30 DGEDHN COC1(CNC(=O)C(C)C#N)CCC(c2ccccc2)CC1 ZINC000345536556 229153465 /nfs/dbraw/zinc/15/34/65/229153465.db2.gz SZNRYTGJRXSFPN-MXWWQKGMSA-N 0 3 300.402 3.005 20 30 DGEDHN CC(C#N)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000345811637 229157230 /nfs/dbraw/zinc/15/72/30/229157230.db2.gz HZLQEZKAYFRGIU-HNNXBMFYSA-N 0 3 308.381 3.179 20 30 DGEDHN Cc1cc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)s1 ZINC000347548027 229188574 /nfs/dbraw/zinc/18/85/74/229188574.db2.gz BVLPPWAHELYTDF-DCGLDWPTSA-N 0 3 321.490 3.459 20 30 DGEDHN Cc1cc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)s1 ZINC000347548031 229189281 /nfs/dbraw/zinc/18/92/81/229189281.db2.gz BVLPPWAHELYTDF-OGHNNQOOSA-N 0 3 321.490 3.459 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000347964194 229195955 /nfs/dbraw/zinc/19/59/55/229195955.db2.gz VQYZSBWZLHYWEW-INIZCTEOSA-N 0 3 323.783 3.210 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000347962936 229196601 /nfs/dbraw/zinc/19/66/01/229196601.db2.gz TVNQHXPANJOFDY-ONGXEEELSA-N 0 3 313.184 3.133 20 30 DGEDHN N#CC(C(=O)c1cc2c(s1)CCOC2)c1nc2ccccc2[nH]1 ZINC000348558359 229202536 /nfs/dbraw/zinc/20/25/36/229202536.db2.gz VZYXAZPGOVTBCB-NSHDSACASA-N 0 3 323.377 3.187 20 30 DGEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349802274 229218247 /nfs/dbraw/zinc/21/82/47/229218247.db2.gz NGKXQOAAECBJMC-MSOLQXFVSA-N 0 3 308.429 3.330 20 30 DGEDHN COc1ccc(-c2csc(CNC(=O)C(C)C#N)c2)cc1 ZINC000352287025 229250536 /nfs/dbraw/zinc/25/05/36/229250536.db2.gz WGFJQHHIEPIERO-LLVKDONJSA-N 0 3 300.383 3.200 20 30 DGEDHN Cc1cc(Br)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354475119 229295079 /nfs/dbraw/zinc/29/50/79/229295079.db2.gz XZGXHNFUEQYUGY-LBPRGKRZSA-N 0 3 316.158 3.038 20 30 DGEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN(CC2CC2)CC1 ZINC000301084209 229489580 /nfs/dbraw/zinc/48/95/80/229489580.db2.gz JHWDOYPMYYAGPV-UHFFFAOYSA-N 0 3 309.335 3.109 20 30 DGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OC(F)F)cc1 ZINC000190719178 263742575 /nfs/dbraw/zinc/74/25/75/263742575.db2.gz BRZCDATYJUZJCL-LLVKDONJSA-N 0 3 305.328 3.349 20 30 DGEDHN C[C@@H]1CN(c2cccc(C#N)n2)[C@H](C)CN1Cc1ccccc1 ZINC000346678342 264078496 /nfs/dbraw/zinc/07/84/96/264078496.db2.gz XJNNPNOZOURTFS-HZPDHXFCSA-N 0 3 306.413 3.052 20 30 DGEDHN Cc1ccc(C#N)c(N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000346822444 264103547 /nfs/dbraw/zinc/10/35/47/264103547.db2.gz DLFKBCCNIMNENR-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN CC(C)c1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)ncn1 ZINC000347749385 264278178 /nfs/dbraw/zinc/27/81/78/264278178.db2.gz FREKQVRWMLIPIO-UHFFFAOYSA-N 0 3 323.444 3.040 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000047453769 270003205 /nfs/dbraw/zinc/00/32/05/270003205.db2.gz WTYSARUBIFOOAZ-UHFFFAOYSA-N 0 3 307.397 3.191 20 30 DGEDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000358608515 270003916 /nfs/dbraw/zinc/00/39/16/270003916.db2.gz HOYJKBDAJVCDTH-RYUDHWBXSA-N 0 3 305.447 3.457 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(C(N)=O)c1 ZINC000360663156 270004551 /nfs/dbraw/zinc/00/45/51/270004551.db2.gz IQRFBFVIHUAZKF-IBGZPJMESA-N 0 3 319.408 3.214 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](CO)CC(F)(F)F ZINC000360650528 270004553 /nfs/dbraw/zinc/00/45/53/270004553.db2.gz YEHGWQWDSSXJJH-HIFRSBDPSA-N 0 3 312.335 3.229 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@H](C)CCC[C@@H]2C)c1C#N ZINC000534471461 270005005 /nfs/dbraw/zinc/00/50/05/270005005.db2.gz LYMQGQUEBYCNCP-KGLIPLIRSA-N 0 3 300.402 3.355 20 30 DGEDHN COCCN(C)CC[C@@H](Nc1ccc(C#N)cn1)c1ccccc1 ZINC000505570165 424816353 /nfs/dbraw/zinc/81/63/53/424816353.db2.gz FOORCDOLQCGVQE-GOSISDBHSA-N 0 3 324.428 3.075 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1ccc(F)cc1C#N ZINC000353157246 266047375 /nfs/dbraw/zinc/04/73/75/266047375.db2.gz UNOJMTCLVZFJGU-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CCCc1c(NC2CCN(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000372611874 266082575 /nfs/dbraw/zinc/08/25/75/266082575.db2.gz RPDOSUIAVUNYMO-UHFFFAOYSA-N 0 3 323.444 3.203 20 30 DGEDHN CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000355406433 266094022 /nfs/dbraw/zinc/09/40/22/266094022.db2.gz BNWSVCGIMGRXJU-XHSDSOJGSA-N 0 3 313.445 3.341 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000355568222 266118870 /nfs/dbraw/zinc/11/88/70/266118870.db2.gz OLWZJHBAQQBQRR-UHFFFAOYSA-N 0 3 319.836 3.063 20 30 DGEDHN CCNC(=O)CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363714425 266161614 /nfs/dbraw/zinc/16/16/14/266161614.db2.gz PSLSGSZCFDSTNV-OAHLLOKOSA-N 0 3 321.424 3.402 20 30 DGEDHN CCNC(=O)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353414677 266169686 /nfs/dbraw/zinc/16/96/86/266169686.db2.gz UKDKPWOFVFPMHH-LJQANCHMSA-N 0 3 319.408 3.085 20 30 DGEDHN CSC1(CN2CCN(c3cccc(F)c3C#N)CC2)CCC1 ZINC000356064455 266273041 /nfs/dbraw/zinc/27/30/41/266273041.db2.gz NXNAUCHJAUTZCO-UHFFFAOYSA-N 0 3 319.449 3.105 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)CCOc2ccc(C#N)cc2)C1(C)C ZINC000354425225 266296620 /nfs/dbraw/zinc/29/66/20/266296620.db2.gz BCBKQNRXWYEDDD-DLBZAZTESA-N 0 3 302.418 3.072 20 30 DGEDHN C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1-c1cccs1 ZINC000191196343 432234012 /nfs/dbraw/zinc/23/40/12/432234012.db2.gz SDHYEXHYDFZOFA-GFCCVEGCSA-N 0 3 320.487 3.236 20 30 DGEDHN N#Cc1cnc(N[C@H]2CCN(CC3CCCC3)C2)c(Cl)c1 ZINC000172784800 432236042 /nfs/dbraw/zinc/23/60/42/432236042.db2.gz XHQOJVXTVQYHER-AWEZNQCLSA-N 0 3 304.825 3.283 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000404064083 267055268 /nfs/dbraw/zinc/05/52/68/267055268.db2.gz NDLXGKGPWIJLCS-QRWLVFNGSA-N 0 3 323.415 3.307 20 30 DGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000367882306 267083824 /nfs/dbraw/zinc/08/38/24/267083824.db2.gz YAYFOIGRWLBVGQ-CCKFTAQKSA-N 0 3 307.397 3.070 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(CN(C)C)cc1)c1cccc(C#N)c1 ZINC000359999761 267135752 /nfs/dbraw/zinc/13/57/52/267135752.db2.gz IMHLKKLSJNQPMQ-AWEZNQCLSA-N 0 3 307.397 3.362 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375437688 267208486 /nfs/dbraw/zinc/20/84/86/267208486.db2.gz MHKNEKVADYEXGN-WBMJQRKESA-N 0 3 308.385 3.369 20 30 DGEDHN Cc1cc(CNc2cccc(CN3CC[C@@H](O)C3)c2)ccc1C#N ZINC000361066050 267325841 /nfs/dbraw/zinc/32/58/41/267325841.db2.gz MTXTYNCWCJUOAA-HXUWFJFHSA-N 0 3 321.424 3.045 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000356107975 268076715 /nfs/dbraw/zinc/07/67/15/268076715.db2.gz FLAQHOMCBDLCHU-GJZGRUSLSA-N 0 3 310.319 3.234 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC4(CCC4)C3)C2=O)cc1 ZINC000348183253 268113906 /nfs/dbraw/zinc/11/39/06/268113906.db2.gz UGXKRDXBHIOBLV-SFHVURJKSA-N 0 3 323.440 3.320 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H]2c2ccccc2)c1 ZINC000353046438 268264830 /nfs/dbraw/zinc/26/48/30/268264830.db2.gz AOZTUQMNMGYUDK-GOSISDBHSA-N 0 3 305.381 3.334 20 30 DGEDHN C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1cccc(C#N)c1 ZINC000151370860 432241653 /nfs/dbraw/zinc/24/16/53/432241653.db2.gz SHKHARGXWYJXRT-CYBMUJFWSA-N 0 3 311.360 3.204 20 30 DGEDHN CC(C)c1ccc([C@H](N)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000183033581 432251953 /nfs/dbraw/zinc/25/19/53/432251953.db2.gz PIOJSPKEQSBKFV-GOSISDBHSA-N 0 3 307.397 3.111 20 30 DGEDHN N#CC(C(=O)c1cncc(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000151537464 432254712 /nfs/dbraw/zinc/25/47/12/432254712.db2.gz GHSVCHBAVRNEAG-LLVKDONJSA-N 0 3 309.222 3.125 20 30 DGEDHN CC(C)CN1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302237809 273513373 /nfs/dbraw/zinc/51/33/73/273513373.db2.gz KVYTZHPEWYEWML-UHFFFAOYSA-N 0 3 311.351 3.355 20 30 DGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@H]2CCCO[C@@H]21 ZINC000451474222 273593214 /nfs/dbraw/zinc/59/32/14/273593214.db2.gz AHSYBYYMLRAQPE-ZACQAIPSSA-N 0 3 303.833 3.485 20 30 DGEDHN CN(C)CCSc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000342555853 273797241 /nfs/dbraw/zinc/79/72/41/273797241.db2.gz WYQBPRIZBGYJCH-UHFFFAOYSA-N 0 3 311.332 3.177 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1OC ZINC000191486813 274042982 /nfs/dbraw/zinc/04/29/82/274042982.db2.gz UULCRERWTMGESC-LJQANCHMSA-N 0 3 324.424 3.256 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN(CC4CC4)CC3)c2c1 ZINC000301382481 274688226 /nfs/dbraw/zinc/68/82/26/274688226.db2.gz VEPGNWDAQNJCEG-UHFFFAOYSA-N 0 3 320.440 3.255 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCC2 ZINC000191393720 432259533 /nfs/dbraw/zinc/25/95/33/432259533.db2.gz ZGEWAOHYBIUPER-SJORKVTESA-N 0 3 301.434 3.066 20 30 DGEDHN N#Cc1cc(N2CC[C@H](N3CC=CC3)C2)ccc1C(F)(F)F ZINC000166894646 274920678 /nfs/dbraw/zinc/92/06/78/274920678.db2.gz KQBXAADYDRJPKO-AWEZNQCLSA-N 0 3 307.319 3.028 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@H]2C(C)C)CC1 ZINC000458313884 275417456 /nfs/dbraw/zinc/41/74/56/275417456.db2.gz DFWKSKKIHRBAOF-MRXNPFEDSA-N 0 3 307.482 3.103 20 30 DGEDHN C=CCN(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000287972172 275424361 /nfs/dbraw/zinc/42/43/61/275424361.db2.gz JPIIUWIDGBEPOC-WMLDXEAASA-N 0 3 301.434 3.038 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000438636872 276361221 /nfs/dbraw/zinc/36/12/21/276361221.db2.gz MHFYFUJGMRNORS-MSOLQXFVSA-N 0 3 301.405 3.457 20 30 DGEDHN CN(C)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000353429917 276827534 /nfs/dbraw/zinc/82/75/34/276827534.db2.gz VFCVDKUZWRXZBV-ROUUACIJSA-N 0 3 311.454 3.500 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)C1CCCCC1)OCC ZINC000339370091 277797712 /nfs/dbraw/zinc/79/77/12/277797712.db2.gz QXIFVAFWYSWBCJ-KRWDZBQOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(CC)C1)C(C)C ZINC000464015226 277848042 /nfs/dbraw/zinc/84/80/42/277848042.db2.gz LUDDOQYIMWFFRO-INIZCTEOSA-N 0 3 307.482 3.127 20 30 DGEDHN C[C@@H](CCC#N)CNc1cc(N(C)C)c(Br)cn1 ZINC000602683243 430543442 /nfs/dbraw/zinc/54/34/42/430543442.db2.gz UKMUKMGZRUDSTF-JTQLQIEISA-N 0 3 311.227 3.262 20 30 DGEDHN CC1(C)CCC[C@]1(O)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329481032 278248883 /nfs/dbraw/zinc/24/88/83/278248883.db2.gz DGHJHMDGMBVQQG-YJBOKZPZSA-N 0 3 308.466 3.291 20 30 DGEDHN CC(C)C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)Nc1nccs1 ZINC000193066981 279003401 /nfs/dbraw/zinc/00/34/01/279003401.db2.gz IGWOBRJXZFXAJN-BFHYXJOUSA-N 0 3 320.462 3.168 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000068713416 431137167 /nfs/dbraw/zinc/13/71/67/431137167.db2.gz JCLGYUURXYPUGD-AEFFLSMTSA-N 0 3 304.478 3.053 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)C1CCC(C(C)(C)C)CC1 ZINC000353438464 279171603 /nfs/dbraw/zinc/17/16/03/279171603.db2.gz GXZSKVGRAVCFLO-UHFFFAOYSA-N 0 3 307.482 3.285 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000292314442 279171744 /nfs/dbraw/zinc/17/17/44/279171744.db2.gz VLOMTUYHVKWLLB-MRXNPFEDSA-N 0 3 301.434 3.220 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000346256250 279218608 /nfs/dbraw/zinc/21/86/08/279218608.db2.gz YCXGAIBMMJRGKI-HUUCEWRRSA-N 0 3 305.466 3.086 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CCCC2)C1 ZINC000333770358 279218681 /nfs/dbraw/zinc/21/86/81/279218681.db2.gz XSFGTJVZWQREGM-MRXNPFEDSA-N 0 3 317.477 3.374 20 30 DGEDHN C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000298933529 279231163 /nfs/dbraw/zinc/23/11/63/279231163.db2.gz PGNDREXNGBPZTO-OQMKEHIESA-N 0 3 319.836 3.282 20 30 DGEDHN CC(C)N(CCOCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000069071021 431162123 /nfs/dbraw/zinc/16/21/23/431162123.db2.gz KTUZRESXRKMPAT-UHFFFAOYSA-N 0 3 300.324 3.348 20 30 DGEDHN C=CCN(Cc1cc(=O)n2ccccc2n1)CC1CCCCC1 ZINC000069860143 431230352 /nfs/dbraw/zinc/23/03/52/431230352.db2.gz NJTMRMVGECZMIP-UHFFFAOYSA-N 0 3 311.429 3.263 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000112699296 431299248 /nfs/dbraw/zinc/29/92/48/431299248.db2.gz XFRFBTIYHXOERP-QFBILLFUSA-N 0 3 315.461 3.324 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@H](c1ccccc1C)C(C)C ZINC000112357724 431270222 /nfs/dbraw/zinc/27/02/22/431270222.db2.gz KEIHOWGQUGOUNF-IBGZPJMESA-N 0 3 315.461 3.386 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@H](O)[C@@H](C)CC)ccc1OC ZINC000112381563 431270902 /nfs/dbraw/zinc/27/09/02/431270902.db2.gz VAODMEYXPAVADB-GOEBONIOSA-N 0 3 307.434 3.147 20 30 DGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000073496622 431370941 /nfs/dbraw/zinc/37/09/41/431370941.db2.gz MOTLZYLOZZTJGQ-CYBMUJFWSA-N 0 3 317.458 3.361 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2OC(C)(C)C)CC1 ZINC000115301082 431447227 /nfs/dbraw/zinc/44/72/27/431447227.db2.gz NZDPLDGNYWFBKN-UHFFFAOYSA-N 0 3 314.429 3.148 20 30 DGEDHN C=CCNC(=O)[C@@H](C)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000076393458 431545665 /nfs/dbraw/zinc/54/56/65/431545665.db2.gz STJWZYFXGYHHLF-OAHLLOKOSA-N 0 3 315.461 3.151 20 30 DGEDHN CC[C@@H](CC(F)(F)F)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000354546475 280137798 /nfs/dbraw/zinc/13/77/98/280137798.db2.gz OVXQWMZMFSFGSE-NEPJUHHUSA-N 0 3 319.371 3.038 20 30 DGEDHN CCC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000024591250 431641919 /nfs/dbraw/zinc/64/19/19/431641919.db2.gz QTUFFFNVDLMFSG-ICSRJNTNSA-N 0 3 324.424 3.429 20 30 DGEDHN COc1cccc([C@@H](CNc2ccc(F)cc2C#N)N(C)C)c1 ZINC000078551622 431680124 /nfs/dbraw/zinc/68/01/24/431680124.db2.gz QGTONKISVHDGOC-GOSISDBHSA-N 0 3 313.376 3.421 20 30 DGEDHN N#CCSCCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120324189 431726378 /nfs/dbraw/zinc/72/63/78/431726378.db2.gz XBZGTEILEYUILI-HNNXBMFYSA-N 0 3 310.850 3.440 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000355844238 280623478 /nfs/dbraw/zinc/62/34/78/280623478.db2.gz JVJWSWFSLWWHLP-KRWDZBQOSA-N 0 3 305.466 3.089 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000031173143 431752446 /nfs/dbraw/zinc/75/24/46/431752446.db2.gz RCZZBZHABOBPKT-KRWDZBQOSA-N 0 3 308.381 3.220 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121209828 431754056 /nfs/dbraw/zinc/75/40/56/431754056.db2.gz YCRZFCIMVUWWEU-ZBFHGGJFSA-N 0 3 310.401 3.080 20 30 DGEDHN COc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1OCCCC#N ZINC000119997059 431722478 /nfs/dbraw/zinc/72/24/78/431722478.db2.gz GAZDWNIGISFUFA-HOCLYGCPSA-N 0 3 318.417 3.035 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000121634866 431803035 /nfs/dbraw/zinc/80/30/35/431803035.db2.gz MZTKGPIRUUPULV-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2c(F)cccc2F)CC1 ZINC000121635041 431803700 /nfs/dbraw/zinc/80/37/00/431803700.db2.gz MZTKGPIRUUPULV-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000041517126 431859277 /nfs/dbraw/zinc/85/92/77/431859277.db2.gz OJWPICWNHHBOFM-OAHLLOKOSA-N 0 3 322.393 3.186 20 30 DGEDHN C=C(C)CNCc1cc(Br)c2c(c1)OCCCO2 ZINC000122569689 431838143 /nfs/dbraw/zinc/83/81/43/431838143.db2.gz ZYUVQEQQVWUEAG-UHFFFAOYSA-N 0 3 312.207 3.276 20 30 DGEDHN C=CCOc1ccc(CN(C)CCn2cccn2)cc1Cl ZINC000125241489 431918684 /nfs/dbraw/zinc/91/86/84/431918684.db2.gz ABPRKIFBAVLMSE-UHFFFAOYSA-N 0 3 305.809 3.233 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NC1CCN(C2CC2)CC1 ZINC000045410502 431885833 /nfs/dbraw/zinc/88/58/33/431885833.db2.gz DBDJCSJPCFTWMH-UHFFFAOYSA-N 0 3 319.474 3.073 20 30 DGEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000124350350 431892107 /nfs/dbraw/zinc/89/21/07/431892107.db2.gz NDRXRZQTZSXZKQ-UHFFFAOYSA-N 0 3 305.809 3.415 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000096573798 431955390 /nfs/dbraw/zinc/95/53/90/431955390.db2.gz XMKVRTXQZFIPCN-HXUWFJFHSA-N 0 3 323.436 3.213 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](C)C1 ZINC000097056369 431958777 /nfs/dbraw/zinc/95/87/77/431958777.db2.gz OGERCHWARVMTNO-BNQMIIOLSA-N 0 3 305.466 3.038 20 30 DGEDHN CC[C@@H](C)N(CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1 ZINC000101546298 431985449 /nfs/dbraw/zinc/98/54/49/431985449.db2.gz TXANIYIUTIYYGX-DLBZAZTESA-N 0 3 315.461 3.295 20 30 DGEDHN Cc1ccc([C@H](CNCc2ccc(C#N)cc2)N2CCCC2)o1 ZINC000101599776 431986069 /nfs/dbraw/zinc/98/60/69/431986069.db2.gz NIBVURZKPZCEEB-SFHVURJKSA-N 0 3 309.413 3.386 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000191509413 432273245 /nfs/dbraw/zinc/27/32/45/432273245.db2.gz FATRLMZCKYBRBE-UHFFFAOYSA-N 0 3 314.408 3.368 20 30 DGEDHN COc1ccc(CN[C@H](C)C[C@@H](O)c2ccccc2)cc1C#N ZINC000270702815 432278432 /nfs/dbraw/zinc/27/84/32/432278432.db2.gz YNQUEFHCQXYNAZ-RDTXWAMCSA-N 0 3 310.397 3.169 20 30 DGEDHN N#CC(CCN1CCC[C@H]1CO)(c1ccccc1)c1ccccc1 ZINC000191481119 432268187 /nfs/dbraw/zinc/26/81/87/432268187.db2.gz XKXUGVLGQAXFEQ-FQEVSTJZSA-N 0 3 320.436 3.343 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271046158 432320589 /nfs/dbraw/zinc/32/05/89/432320589.db2.gz QZONZMHQAKEPOC-UHFFFAOYSA-N 0 3 310.445 3.006 20 30 DGEDHN CC[C@@H](CN(CC)[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000249410566 432347308 /nfs/dbraw/zinc/34/73/08/432347308.db2.gz FDWNLPOCOSOXNN-SJORKVTESA-N 0 3 315.461 3.263 20 30 DGEDHN CN1CCC[C@@H](CNCc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000174460251 432349470 /nfs/dbraw/zinc/34/94/70/432349470.db2.gz DIBBJPIRORKHML-SUMWQHHRSA-N 0 3 315.442 3.385 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248636667 432308978 /nfs/dbraw/zinc/30/89/78/432308978.db2.gz UZJXFDGHSYUORE-GOEBONIOSA-N 0 3 318.486 3.297 20 30 DGEDHN N#CC1(NC(=O)CN[C@H](c2ccccc2)C2CC2)CCCCC1 ZINC000192504738 432382375 /nfs/dbraw/zinc/38/23/75/432382375.db2.gz ZQOAXGKMJGOJFE-GOSISDBHSA-N 0 3 311.429 3.070 20 30 DGEDHN CCN(C1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192544733 432384849 /nfs/dbraw/zinc/38/48/49/432384849.db2.gz DBHBZQJNBKASKM-GOSISDBHSA-N 0 3 311.429 3.318 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000152825540 432360286 /nfs/dbraw/zinc/36/02/86/432360286.db2.gz FOZGQQFXUKDWOQ-IAGOWNOFSA-N 0 3 300.446 3.337 20 30 DGEDHN CC(C)(C#N)CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271995697 432432753 /nfs/dbraw/zinc/43/27/53/432432753.db2.gz GDCGBGGGCJJICT-UHFFFAOYSA-N 0 3 324.428 3.149 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)s1 ZINC000184788753 432433473 /nfs/dbraw/zinc/43/34/73/432433473.db2.gz QIAXWQNPFVWMOR-GOSISDBHSA-N 0 3 312.438 3.393 20 30 DGEDHN COC(=O)CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000192985423 432437960 /nfs/dbraw/zinc/43/79/60/432437960.db2.gz VQOZOKYRNSMMBB-UAGQMJEPSA-N 0 3 300.402 3.353 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000193021869 432440075 /nfs/dbraw/zinc/44/00/75/432440075.db2.gz APKDZAGGXCKWRB-YPMHNXCESA-N 0 3 313.323 3.151 20 30 DGEDHN CCN(CC(C)C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000153770770 432441258 /nfs/dbraw/zinc/44/12/58/432441258.db2.gz MPSSCAZSPQVFDE-GFCCVEGCSA-N 0 3 319.474 3.413 20 30 DGEDHN C[C@@H](O)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193058395 432443491 /nfs/dbraw/zinc/44/34/91/432443491.db2.gz DUTBSOYWXCXLIP-QGZVFWFLSA-N 0 3 308.425 3.199 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CO[C@H]2CCCC[C@H]2CC)CC1 ZINC000184984745 432451831 /nfs/dbraw/zinc/45/18/31/432451831.db2.gz AVBJONWIQUNFOX-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN N#CCC[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000192768737 432411882 /nfs/dbraw/zinc/41/18/82/432411882.db2.gz BOPYPSWCWSGGKW-SFHVURJKSA-N 0 3 311.429 3.022 20 30 DGEDHN Cc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)c(C)c1 ZINC000271752564 432424651 /nfs/dbraw/zinc/42/46/51/432424651.db2.gz KZCNYIUHTIEPDL-MRXNPFEDSA-N 0 3 313.445 3.297 20 30 DGEDHN C[C@@H](CCN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000193675815 432490305 /nfs/dbraw/zinc/49/03/05/432490305.db2.gz YUOWCMQDPMUWJY-KRWDZBQOSA-N 0 3 320.440 3.269 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCc2cccc(OC)c2CC1 ZINC000193713719 432493751 /nfs/dbraw/zinc/49/37/51/432493751.db2.gz DOXQSDSZFSUZLP-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)Cc1ccccc1 ZINC000194533637 432557619 /nfs/dbraw/zinc/55/76/19/432557619.db2.gz KECMFEFKMQNKFC-HXUWFJFHSA-N 0 3 306.409 3.150 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272551451 432523618 /nfs/dbraw/zinc/52/36/18/432523618.db2.gz IKTCKUYBUREYTR-CQSZACIVSA-N 0 3 314.433 3.061 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCCCSCC#N)c1ccccc1 ZINC000272846645 432536124 /nfs/dbraw/zinc/53/61/24/432536124.db2.gz OAAJIZYMKSHVKR-MRXNPFEDSA-N 0 3 320.458 3.306 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000185858106 432540041 /nfs/dbraw/zinc/54/00/41/432540041.db2.gz VXWCWXGTGPTCKS-CMPLNLGQSA-N 0 3 314.216 3.439 20 30 DGEDHN CCN(CC)C(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185881193 432541379 /nfs/dbraw/zinc/54/13/79/432541379.db2.gz AOAFTRNWOBKPHG-FUHWJXTLSA-N 0 3 313.445 3.341 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000177343906 432613905 /nfs/dbraw/zinc/61/39/05/432613905.db2.gz TYFUSFVQOVQEDF-UHFFFAOYSA-N 0 3 307.397 3.110 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](OCC)[C@]23CCCO3)c1 ZINC000273595632 432615715 /nfs/dbraw/zinc/61/57/15/432615715.db2.gz KPIMTQDMILYJRT-QYZOEREBSA-N 0 3 317.429 3.068 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)c(C)s2)cc1 ZINC000155649126 432566137 /nfs/dbraw/zinc/56/61/37/432566137.db2.gz ULQBPWOAIMZFOO-ZDUSSCGKSA-N 0 3 301.371 3.014 20 30 DGEDHN CC#CCCCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000186177762 432566575 /nfs/dbraw/zinc/56/65/75/432566575.db2.gz LKVNXUOMIMIZIU-INIZCTEOSA-N 0 3 300.446 3.426 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000176970212 432570256 /nfs/dbraw/zinc/57/02/56/432570256.db2.gz SLDKMZVLTMYKFG-LBPRGKRZSA-N 0 3 321.446 3.109 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCCN2Cc2ccccc2)s1 ZINC000176970246 432570476 /nfs/dbraw/zinc/57/04/76/432570476.db2.gz JSZYFESJONIDQK-MRXNPFEDSA-N 0 3 311.454 3.374 20 30 DGEDHN C=CCCC[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186233780 432571101 /nfs/dbraw/zinc/57/11/01/432571101.db2.gz YHSYSRGRQUAZBR-HOTGVXAUSA-N 0 3 309.475 3.492 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)C1CCCC1 ZINC000155767697 432574246 /nfs/dbraw/zinc/57/42/46/432574246.db2.gz HMFKCFOXDJBMEX-UHFFFAOYSA-N 0 3 312.413 3.096 20 30 DGEDHN C=CCCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186297289 432579035 /nfs/dbraw/zinc/57/90/35/432579035.db2.gz ARDKNSIRXKAPEE-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN COc1ccc([C@H](CN2CCCC2)Nc2cccc(C#N)n2)cc1 ZINC000273286567 432579763 /nfs/dbraw/zinc/57/97/63/432579763.db2.gz JRQCAHXKYDIFFO-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000194876258 432584250 /nfs/dbraw/zinc/58/42/50/432584250.db2.gz HPQSNRKCXQAJRK-SFHVURJKSA-N 0 3 318.392 3.109 20 30 DGEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)cc1OC ZINC000194935272 432587789 /nfs/dbraw/zinc/58/77/89/432587789.db2.gz ZYEUZMXMDNOXRF-GOSISDBHSA-N 0 3 302.418 3.348 20 30 DGEDHN N#Cc1ccc(CN(CCOc2ccccc2C#N)C2CC2)cc1 ZINC000194957469 432589509 /nfs/dbraw/zinc/58/95/09/432589509.db2.gz ACJBGQVWKJTKCX-UHFFFAOYSA-N 0 3 317.392 3.473 20 30 DGEDHN C[C@H](O)[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177149389 432590538 /nfs/dbraw/zinc/59/05/38/432590538.db2.gz WTGKIQDPLIGAEO-XJKSGUPXSA-N 0 3 311.347 3.292 20 30 DGEDHN C=CCc1ccc(OC(=O)C2CCN(C3CC3)CC2)c(OC)c1 ZINC000195302080 432617506 /nfs/dbraw/zinc/61/75/06/432617506.db2.gz LAJNKCGRHYBBTJ-UHFFFAOYSA-N 0 3 315.413 3.204 20 30 DGEDHN C=C(C)[C@H](NC1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1 ZINC000186448206 432596087 /nfs/dbraw/zinc/59/60/87/432596087.db2.gz UMACMFSPWNYATH-KRWDZBQOSA-N 0 3 308.372 3.183 20 30 DGEDHN C=C(C)[C@@H](NC1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1 ZINC000186448221 432596261 /nfs/dbraw/zinc/59/62/61/432596261.db2.gz UMACMFSPWNYATH-QGZVFWFLSA-N 0 3 308.372 3.183 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ccc2C)CC1 ZINC000264340292 432637365 /nfs/dbraw/zinc/63/73/65/432637365.db2.gz BTODOBXQXWTSKF-UHFFFAOYSA-N 0 3 301.434 3.465 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000264363667 432640608 /nfs/dbraw/zinc/64/06/08/432640608.db2.gz IABKCUKTAZXCPS-UHFFFAOYSA-N 0 3 313.445 3.337 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000264390948 432641848 /nfs/dbraw/zinc/64/18/48/432641848.db2.gz NTCWFJKCTBMHPI-UHFFFAOYSA-N 0 3 315.417 3.051 20 30 DGEDHN CN1CC[C@@H]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000274257224 432644558 /nfs/dbraw/zinc/64/45/58/432644558.db2.gz ZFKZGQIGDRIOQX-IAQYHMDHSA-N 0 3 309.335 3.107 20 30 DGEDHN CC#CCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000274299579 432648628 /nfs/dbraw/zinc/64/86/28/432648628.db2.gz RWRHVYJCCQPBGY-PKOBYXMFSA-N 0 3 310.441 3.323 20 30 DGEDHN N#Cc1csc(CNCc2ccccc2Cn2cccn2)c1 ZINC000177682577 432649370 /nfs/dbraw/zinc/64/93/70/432649370.db2.gz HLFWACVYGOVYTH-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1cccc(F)c1 ZINC000177680091 432649993 /nfs/dbraw/zinc/64/99/93/432649993.db2.gz JYHOVPRRIRJFBH-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN C[C@H](COc1ccc(F)cc1F)NCc1cc(C#N)cs1 ZINC000177689887 432651272 /nfs/dbraw/zinc/65/12/72/432651272.db2.gz KBCYJLOFNHQNIU-SNVBAGLBSA-N 0 3 308.353 3.455 20 30 DGEDHN C=C(C)COCCNCc1cc(-c2ccncc2)ccc1OC ZINC000187302589 432655264 /nfs/dbraw/zinc/65/52/64/432655264.db2.gz SVWAWLOVHIBTCE-UHFFFAOYSA-N 0 3 312.413 3.440 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(CC)nc3ccccc32)CC1 ZINC000274367456 432658143 /nfs/dbraw/zinc/65/81/43/432658143.db2.gz VMISLHRQHYPHHR-UHFFFAOYSA-N 0 3 321.424 3.081 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)CC1(O)CCCCCC1 ZINC000187358821 432659089 /nfs/dbraw/zinc/65/90/89/432659089.db2.gz YHRZKDVGWNCKSH-UHFFFAOYSA-N 0 3 302.418 3.084 20 30 DGEDHN CN1CCN(Cc2ccc(OCC#N)cc2)Cc2ccccc21 ZINC000264583414 432660464 /nfs/dbraw/zinc/66/04/64/432660464.db2.gz WGMHJMVKRZJMMN-UHFFFAOYSA-N 0 3 307.397 3.041 20 30 DGEDHN COCCN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000264583639 432660986 /nfs/dbraw/zinc/66/09/86/432660986.db2.gz WNMMNJRIIYSHQU-UHFFFAOYSA-N 0 3 310.397 3.238 20 30 DGEDHN C=C(C)CN(CC)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000159008121 432665687 /nfs/dbraw/zinc/66/56/87/432665687.db2.gz CCNDPAHSLIIBMW-UHFFFAOYSA-N 0 3 316.445 3.086 20 30 DGEDHN CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)N(CC)CC ZINC000265428541 432698031 /nfs/dbraw/zinc/69/80/31/432698031.db2.gz MAHQNADWJOXBFZ-KRWDZBQOSA-N 0 3 317.433 3.428 20 30 DGEDHN N#Cc1cccc(NC(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000265667772 432719480 /nfs/dbraw/zinc/71/94/80/432719480.db2.gz FONHHIOHRYFXGT-UHFFFAOYSA-N 0 3 312.417 3.040 20 30 DGEDHN CC(C)(C)OC(=O)NC1(CNCc2ccc(C#N)s2)CCC1 ZINC000230156687 432724270 /nfs/dbraw/zinc/72/42/70/432724270.db2.gz KGFPSDOTAINXCJ-UHFFFAOYSA-N 0 3 321.446 3.157 20 30 DGEDHN Cc1ccc(C#N)c(NCCCN2CCc3ccccc3C2)n1 ZINC000160513094 432725008 /nfs/dbraw/zinc/72/50/08/432725008.db2.gz OXDLDCJQZSYDMQ-UHFFFAOYSA-N 0 3 306.413 3.122 20 30 DGEDHN C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000265197386 432674257 /nfs/dbraw/zinc/67/42/57/432674257.db2.gz PEWJRBAVAROFFN-DOMZBBRYSA-N 0 3 311.410 3.076 20 30 DGEDHN COc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc(OC)c1OC ZINC000274586235 432685429 /nfs/dbraw/zinc/68/54/29/432685429.db2.gz DINIQPBHBNBPJR-SCRDCRAPSA-N 0 3 304.390 3.055 20 30 DGEDHN COc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc(OC)c1OC ZINC000274586227 432685438 /nfs/dbraw/zinc/68/54/38/432685438.db2.gz DINIQPBHBNBPJR-OBJOEFQTSA-N 0 3 304.390 3.055 20 30 DGEDHN C=CCCC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000266573940 432767168 /nfs/dbraw/zinc/76/71/68/432767168.db2.gz UBAPJXMWTDIMAY-SFHVURJKSA-N 0 3 300.446 3.323 20 30 DGEDHN Cc1cccc(C[C@H](CO)N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000276167799 432779752 /nfs/dbraw/zinc/77/97/52/432779752.db2.gz SASSDEUTAWOKLI-KBXCAEBGSA-N 0 3 312.388 3.260 20 30 DGEDHN CCN1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000267227226 432824161 /nfs/dbraw/zinc/82/41/61/432824161.db2.gz PHJASTXBWKNBSH-UHFFFAOYSA-N 0 3 314.820 3.292 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000178887544 432785537 /nfs/dbraw/zinc/78/55/37/432785537.db2.gz YKYWBDOEHJOZGK-AWEZNQCLSA-N 0 3 320.864 3.285 20 30 DGEDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000276316364 432796055 /nfs/dbraw/zinc/79/60/55/432796055.db2.gz XZVVEKSXHSLDGT-KBPBESRZSA-N 0 3 312.335 3.254 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000276430250 432807701 /nfs/dbraw/zinc/80/77/01/432807701.db2.gz ROAMFUPCKVHKGU-KRWDZBQOSA-N 0 3 301.434 3.041 20 30 DGEDHN C[C@@H](c1ccccn1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000267079358 432810898 /nfs/dbraw/zinc/81/08/98/432810898.db2.gz QNENAMJYDRJFQS-KRWDZBQOSA-N 0 3 320.440 3.222 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCNC(=O)OC(C)(C)C ZINC000268315441 432863430 /nfs/dbraw/zinc/86/34/30/432863430.db2.gz CZAVMLLKMDMQJN-CYBMUJFWSA-N 0 3 303.406 3.076 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cc1OC ZINC000245799548 432864243 /nfs/dbraw/zinc/86/42/43/432864243.db2.gz XPYYORHLRSJCBI-DLBZAZTESA-N 0 3 317.429 3.261 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)cc1OC ZINC000245799551 432864320 /nfs/dbraw/zinc/86/43/20/432864320.db2.gz XPYYORHLRSJCBI-IRXDYDNUSA-N 0 3 317.429 3.261 20 30 DGEDHN CCNC(=O)C1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCC1 ZINC000330187335 432896188 /nfs/dbraw/zinc/89/61/88/432896188.db2.gz KHJQYEYHFCMAQT-HNNXBMFYSA-N 0 3 321.465 3.497 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000245687934 432855613 /nfs/dbraw/zinc/85/56/13/432855613.db2.gz OCCBETGRRIBOAG-ZIAGYGMSSA-N 0 3 314.433 3.109 20 30 DGEDHN CC[C@H](NCc1ccc(NC(C)=O)nc1)c1ccc(C#N)cc1 ZINC000279066100 432930909 /nfs/dbraw/zinc/93/09/09/432930909.db2.gz LGJWTDOADPZKHX-KRWDZBQOSA-N 0 3 308.385 3.153 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)N[C@@](C)(C#N)C(C)C)CCCC1(C)C ZINC000331291327 432938054 /nfs/dbraw/zinc/93/80/54/432938054.db2.gz KOQOBJHBJHSMMQ-YJBOKZPZSA-N 0 3 305.466 3.108 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(F)c2Cl)CC1 ZINC000289053354 432917269 /nfs/dbraw/zinc/91/72/69/432917269.db2.gz KMWKSKOAQRTMNC-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C#C[C@H](C)NCc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000289563949 432969577 /nfs/dbraw/zinc/96/95/77/432969577.db2.gz RZAKHFSRACTVLG-NSHDSACASA-N 0 3 301.308 3.138 20 30 DGEDHN C=CCN1CCC(N[C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289634155 432971180 /nfs/dbraw/zinc/97/11/80/432971180.db2.gz HLRSGDADAXRHHN-QGZVFWFLSA-N 0 3 308.853 3.268 20 30 DGEDHN C=CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000279545051 432981144 /nfs/dbraw/zinc/98/11/44/432981144.db2.gz MCJFTOBLNQNGBX-WMZOPIPTSA-N 0 3 315.461 3.162 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280034544 433000370 /nfs/dbraw/zinc/00/03/70/433000370.db2.gz NLQICUWOFFMNON-JLSDUUJJSA-N 0 3 309.413 3.326 20 30 DGEDHN CC(C)CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280105061 433001476 /nfs/dbraw/zinc/00/14/76/433001476.db2.gz PFTZNKPCGUXNOL-QGZVFWFLSA-N 0 3 309.413 3.183 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290201858 433012139 /nfs/dbraw/zinc/01/21/39/433012139.db2.gz PFFRZGJHASVGQJ-UHFFFAOYSA-N 0 3 318.396 3.037 20 30 DGEDHN C=CCCCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000280189550 433012472 /nfs/dbraw/zinc/01/24/72/433012472.db2.gz USXJYSDBLVOQRJ-UHFFFAOYSA-N 0 3 315.461 3.225 20 30 DGEDHN C#Cc1ccc(CN(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000290290639 433026924 /nfs/dbraw/zinc/02/69/24/433026924.db2.gz AJWDMFRURQVUGN-UHFFFAOYSA-N 0 3 308.425 3.357 20 30 DGEDHN C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000280302766 433030154 /nfs/dbraw/zinc/03/01/54/433030154.db2.gz MZPAQGYELNAPII-WMLDXEAASA-N 0 3 309.413 3.135 20 30 DGEDHN CC[C@@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332310 433035330 /nfs/dbraw/zinc/03/53/30/433035330.db2.gz JHGIBWHSCNELQJ-MJGOQNOKSA-N 0 3 309.413 3.279 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000298067291 433046838 /nfs/dbraw/zinc/04/68/38/433046838.db2.gz ARFBYSIIQWUXDQ-SFHVURJKSA-N 0 3 315.367 3.229 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000280477238 433056181 /nfs/dbraw/zinc/05/61/81/433056181.db2.gz PJXIMMWLJOAZFO-QRVBRYPASA-N 0 3 321.424 3.326 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000298246298 433066474 /nfs/dbraw/zinc/06/64/74/433066474.db2.gz SUHYYOGRARQFJN-PMACEKPBSA-N 0 3 304.393 3.205 20 30 DGEDHN C=CC1CCN(C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000446574118 433068014 /nfs/dbraw/zinc/06/80/14/433068014.db2.gz ZTGLGSFVTUMDTK-UHFFFAOYSA-N 0 3 301.434 3.221 20 30 DGEDHN C#C[C@H](CC)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000491813070 433069705 /nfs/dbraw/zinc/06/97/05/433069705.db2.gz GORJBQCUSLEHTJ-GFCCVEGCSA-N 0 3 301.308 3.138 20 30 DGEDHN C[C@@H]1CCc2nc(CNCCc3cccc(C#N)c3)sc2C1 ZINC000341478054 433081469 /nfs/dbraw/zinc/08/14/69/433081469.db2.gz GUIVUEIPLUQNMG-CYBMUJFWSA-N 0 3 311.454 3.472 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000280647160 433121561 /nfs/dbraw/zinc/12/15/61/433121561.db2.gz NTZJTBBVNGINSJ-IAQYHMDHSA-N 0 3 310.781 3.319 20 30 DGEDHN C=CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000280651211 433123157 /nfs/dbraw/zinc/12/31/57/433123157.db2.gz NTIOKYBPFAIYTQ-CQSZACIVSA-N 0 3 307.463 3.150 20 30 DGEDHN COC(=O)[C@@H]1CN([C@H](C)CCC#N)C[C@H]1c1ccc(Cl)cc1 ZINC000298419875 433132313 /nfs/dbraw/zinc/13/23/13/433132313.db2.gz PMROVOXSJWKSHG-UHOFOFEASA-N 0 3 320.820 3.221 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1cccs1 ZINC000425199217 433120920 /nfs/dbraw/zinc/12/09/20/433120920.db2.gz HMQMUMQDMWSJPT-ZDUSSCGKSA-N 0 3 316.386 3.243 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)cc1F ZINC000425370004 433208434 /nfs/dbraw/zinc/20/84/34/433208434.db2.gz IGSRMFYFCYNPQZ-GOSISDBHSA-N 0 3 314.404 3.478 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](OCc2ccncc2)C1 ZINC000373912928 433169078 /nfs/dbraw/zinc/16/90/78/433169078.db2.gz PVSWLONUNVJEFO-KXBFYZLASA-N 0 3 307.397 3.305 20 30 DGEDHN Cc1nnc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000336711967 433187977 /nfs/dbraw/zinc/18/79/77/433187977.db2.gz QFUXMOFVPRHOFO-QAPCUYQASA-N 0 3 321.428 3.040 20 30 DGEDHN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000341649014 433189111 /nfs/dbraw/zinc/18/91/11/433189111.db2.gz YORYERBNRPNKLY-KSSFIOAISA-N 0 3 321.424 3.041 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@]3(CCCc4ccccc43)C2)C1=O ZINC000337184460 433211185 /nfs/dbraw/zinc/21/11/85/433211185.db2.gz NVJGHJKWHJFUJF-FPOVZHCZSA-N 0 3 324.468 3.143 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000361509700 433216674 /nfs/dbraw/zinc/21/66/74/433216674.db2.gz DMTYVGPGLSHVAZ-HNNXBMFYSA-N 0 3 317.348 3.437 20 30 DGEDHN N#CCCCCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000291245796 433228843 /nfs/dbraw/zinc/22/88/43/433228843.db2.gz VLXSSMKKMDPSLG-UHFFFAOYSA-N 0 3 312.772 3.308 20 30 DGEDHN N#Cc1ccncc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000341744584 433246527 /nfs/dbraw/zinc/24/65/27/433246527.db2.gz VTXSMUPNKJHCJF-UHFFFAOYSA-N 0 3 320.396 3.191 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1ccc(CN2CCOCC2)cc1 ZINC000420925966 433318442 /nfs/dbraw/zinc/31/84/42/433318442.db2.gz XDRNFBZFDNLGED-LJQANCHMSA-N 0 3 300.446 3.059 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000338794339 433324087 /nfs/dbraw/zinc/32/40/87/433324087.db2.gz LPCBQVKCGCMYCB-GASCZTMLSA-N 0 3 308.429 3.252 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccnc(Cl)c1Cl ZINC000291580422 433274816 /nfs/dbraw/zinc/27/48/16/433274816.db2.gz OUUVZQQPDZXFPO-YPMHNXCESA-N 0 3 301.217 3.459 20 30 DGEDHN N#Cc1cc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1F ZINC000425545835 433292995 /nfs/dbraw/zinc/29/29/95/433292995.db2.gz DJFHZEUGRYQDST-SFHVURJKSA-N 0 3 314.404 3.478 20 30 DGEDHN Oc1cccc(/C=N/C[C@H](c2cccs2)N2CCCC2)c1O ZINC000299263924 433359722 /nfs/dbraw/zinc/35/97/22/433359722.db2.gz HNAOTFLZEMFXCX-XWAFYUISSA-N 0 3 316.426 3.415 20 30 DGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000299408120 433366182 /nfs/dbraw/zinc/36/61/82/433366182.db2.gz NZSSBVVAAOEOCP-PKOBYXMFSA-N 0 3 313.445 3.268 20 30 DGEDHN CCCCOCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000299432169 433368406 /nfs/dbraw/zinc/36/84/06/433368406.db2.gz ADCYKAMHMPXVHP-UHFFFAOYSA-N 0 3 320.433 3.284 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000299426828 433369590 /nfs/dbraw/zinc/36/95/90/433369590.db2.gz TVWWKHYZFKXVHI-RDJZCZTQSA-N 0 3 313.445 3.458 20 30 DGEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000361753507 433373984 /nfs/dbraw/zinc/37/39/84/433373984.db2.gz JXYWLJHGHFZTCJ-UONOGXRCSA-N 0 3 310.344 3.207 20 30 DGEDHN C=C(C)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000454316363 433375572 /nfs/dbraw/zinc/37/55/72/433375572.db2.gz OZABVXJSVYCSOU-UHFFFAOYSA-N 0 3 315.461 3.225 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447987926 433343294 /nfs/dbraw/zinc/34/32/94/433343294.db2.gz GMTQNRALDZOQOW-MRXNPFEDSA-N 0 3 314.433 3.109 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000454373763 433395493 /nfs/dbraw/zinc/39/54/93/433395493.db2.gz RJUBWHLQRMWBEX-WBVHZDCISA-N 0 3 315.461 3.333 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000454370078 433397551 /nfs/dbraw/zinc/39/75/51/433397551.db2.gz PTRAVCWBPUASJV-RDJZCZTQSA-N 0 3 301.434 3.087 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000454380440 433399914 /nfs/dbraw/zinc/39/99/14/433399914.db2.gz UUNWKXSCYGGPTK-DOTOQJQBSA-N 0 3 301.434 3.087 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421056100 433410814 /nfs/dbraw/zinc/41/08/14/433410814.db2.gz SGTUALLORXYHBU-INIZCTEOSA-N 0 3 317.433 3.199 20 30 DGEDHN Cc1ccc2c(c1)CCN(CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000361840567 433412846 /nfs/dbraw/zinc/41/28/46/433412846.db2.gz VCEVKXKIPPMKJC-UHFFFAOYSA-N 0 3 319.408 3.254 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000454451258 433433058 /nfs/dbraw/zinc/43/30/58/433433058.db2.gz IWFDWAYTXFITSJ-INIZCTEOSA-N 0 3 303.450 3.109 20 30 DGEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000421079511 433422072 /nfs/dbraw/zinc/42/20/72/433422072.db2.gz JQFQSEWVYIDQCO-MRXNPFEDSA-N 0 3 314.433 3.046 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000421120960 433440626 /nfs/dbraw/zinc/44/06/26/433440626.db2.gz NASIBKGEISQJOK-MRXNPFEDSA-N 0 3 301.434 3.363 20 30 DGEDHN CC1(C)CN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000339218745 433445901 /nfs/dbraw/zinc/44/59/01/433445901.db2.gz LNJYTKZLACGWMD-UHFFFAOYSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1nsc(N2CCCN(CCCCC(C)(C)C#N)CC2)n1 ZINC000375401464 433452063 /nfs/dbraw/zinc/45/20/63/433452063.db2.gz DWQFGQYWQLANTN-UHFFFAOYSA-N 0 3 321.494 3.079 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292102733 433463351 /nfs/dbraw/zinc/46/33/51/433463351.db2.gz GNYACKLAOANZQP-INIZCTEOSA-N 0 3 312.417 3.126 20 30 DGEDHN C[C@H]1CCCN(CCNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301250378 433472777 /nfs/dbraw/zinc/47/27/77/433472777.db2.gz BXAAEKKCDURUIK-NSHDSACASA-N 0 3 312.339 3.116 20 30 DGEDHN C=CCC[C@H](NCc1cc(C)nc(N2CCCC2)n1)C1CC1 ZINC000426337340 433469119 /nfs/dbraw/zinc/46/91/19/433469119.db2.gz ZLHHPWXUWBLFRP-KRWDZBQOSA-N 0 3 300.450 3.220 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342098990 433469463 /nfs/dbraw/zinc/46/94/63/433469463.db2.gz HDSSALZWPRRCHK-ZMSDIMECSA-N 0 3 301.434 3.086 20 30 DGEDHN C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000301263129 433478391 /nfs/dbraw/zinc/47/83/91/433478391.db2.gz PCJWAFBMPBWKDJ-AWEZNQCLSA-N 0 3 324.384 3.399 20 30 DGEDHN C=CC(C)(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000448667201 433484392 /nfs/dbraw/zinc/48/43/92/433484392.db2.gz JYSKGVLCIYJIKZ-UHFFFAOYSA-N 0 3 300.446 3.152 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000454613295 433515387 /nfs/dbraw/zinc/51/53/87/433515387.db2.gz XXLAGBMGDQBHNF-SJLPKXTDSA-N 0 3 315.461 3.305 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000454623075 433518740 /nfs/dbraw/zinc/51/87/40/433518740.db2.gz RHRDDTUOBROYRX-SJLPKXTDSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cc(C)n(C)n1)C(C)C ZINC000282169763 433519335 /nfs/dbraw/zinc/51/93/35/433519335.db2.gz MDRKEDPDUCJKTI-WMZOPIPTSA-N 0 3 304.482 3.078 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(OCC(=O)OCC)cc1 ZINC000426580445 433534732 /nfs/dbraw/zinc/53/47/32/433534732.db2.gz QYDBFJFNUNDNHV-INIZCTEOSA-N 0 3 303.402 3.169 20 30 DGEDHN Cc1nnc(NC[C@@H]2CCCN2Cc2ccccc2)c(C#N)c1C ZINC000301282568 433487255 /nfs/dbraw/zinc/48/72/55/433487255.db2.gz KQWPTMZXXFZHSQ-KRWDZBQOSA-N 0 3 321.428 3.042 20 30 DGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(C#N)s1 ZINC000421353850 433496486 /nfs/dbraw/zinc/49/64/86/433496486.db2.gz UZWVQXDMPPEVCJ-LLVKDONJSA-N 0 3 301.371 3.249 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292321428 433551143 /nfs/dbraw/zinc/55/11/43/433551143.db2.gz VVMRVLCUORHLMN-RDTXWAMCSA-N 0 3 318.380 3.039 20 30 DGEDHN CN(C)[C@H](CNc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000301471372 433568938 /nfs/dbraw/zinc/56/89/38/433568938.db2.gz JVUFPDCGTPDEGT-OAHLLOKOSA-N 0 3 300.793 3.321 20 30 DGEDHN C=CCCOCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000414365638 433573387 /nfs/dbraw/zinc/57/33/87/433573387.db2.gz MPGUVESUTCRKJZ-UHFFFAOYSA-N 0 3 303.381 3.002 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C(C)C)CC1 ZINC000426725990 433573734 /nfs/dbraw/zinc/57/37/34/433573734.db2.gz GJJVBLOEVVLGKL-QAPCUYQASA-N 0 3 307.482 3.187 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292304596 433543808 /nfs/dbraw/zinc/54/38/08/433543808.db2.gz SECQKVOKLPJZME-ICSRJNTNSA-N 0 3 312.457 3.291 20 30 DGEDHN C=CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000355423498 433544258 /nfs/dbraw/zinc/54/42/58/433544258.db2.gz QZTWJXKWEWNKET-MRXNPFEDSA-N 0 3 322.399 3.226 20 30 DGEDHN C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282800638 433630171 /nfs/dbraw/zinc/63/01/71/433630171.db2.gz QEWCETPKHGUMIZ-KRWDZBQOSA-N 0 3 315.461 3.115 20 30 DGEDHN CC(=O)NCCN(Cc1ccsc1)CC(C)(C)CCC#N ZINC000282992439 433644798 /nfs/dbraw/zinc/64/47/98/433644798.db2.gz KCIXISKMQCSLMT-UHFFFAOYSA-N 0 3 307.463 3.016 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283007528 433645048 /nfs/dbraw/zinc/64/50/48/433645048.db2.gz RRLPUFNVXTXVPV-INIZCTEOSA-N 0 3 306.837 3.253 20 30 DGEDHN CC[C@H](C)CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000351590454 433599135 /nfs/dbraw/zinc/59/91/35/433599135.db2.gz UWLWAHPZMRKZLA-INIZCTEOSA-N 0 3 315.461 3.275 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000448905487 433607961 /nfs/dbraw/zinc/60/79/61/433607961.db2.gz BAIKDWBPHOFUQH-QGZVFWFLSA-N 0 3 318.461 3.024 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000362272094 433617298 /nfs/dbraw/zinc/61/72/98/433617298.db2.gz AIUKRNJOXJRJQW-IBGZPJMESA-N 0 3 312.457 3.208 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000362369004 433663912 /nfs/dbraw/zinc/66/39/12/433663912.db2.gz DRFPHICIJAAZNN-NVXWUHKLSA-N 0 3 301.434 3.006 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)CCN(C)C1CC1 ZINC000362399871 433694875 /nfs/dbraw/zinc/69/48/75/433694875.db2.gz DYACAUHQEFMVLY-UHFFFAOYSA-N 0 3 304.459 3.131 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(CN(C)C)s1 ZINC000414531594 433696055 /nfs/dbraw/zinc/69/60/55/433696055.db2.gz GOMKKZJKXMXDCC-MRXNPFEDSA-N 0 3 315.486 3.482 20 30 DGEDHN CC(C)N1CCC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000356806338 433708779 /nfs/dbraw/zinc/70/87/79/433708779.db2.gz LQAAOMAQEQIMAH-ROUUACIJSA-N 0 3 313.445 3.063 20 30 DGEDHN CC[C@@](CNCc1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 ZINC000414588123 433739604 /nfs/dbraw/zinc/73/96/04/433739604.db2.gz NMEKMRQLCPFVGM-FQEVSTJZSA-N 0 3 322.408 3.169 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449700534 433764300 /nfs/dbraw/zinc/76/43/00/433764300.db2.gz UCOLJPYECWGREB-CYBMUJFWSA-N 0 3 316.357 3.272 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)NC(C)(C)CC ZINC000356835490 433722493 /nfs/dbraw/zinc/72/24/93/433722493.db2.gz USMIREQGSUNSSL-CYBMUJFWSA-N 0 3 316.449 3.485 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCSC2(CCCCC2)C1 ZINC000430760816 433796646 /nfs/dbraw/zinc/79/66/46/433796646.db2.gz SXJQWKPHJZZQJG-INIZCTEOSA-N 0 3 322.518 3.327 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)C2(CCC2)C1 ZINC000357023052 433826511 /nfs/dbraw/zinc/82/65/11/433826511.db2.gz KMSLXLBUNHRQOF-HNNXBMFYSA-N 0 3 314.429 3.458 20 30 DGEDHN C[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC(C)(C)C1 ZINC000344035401 433844574 /nfs/dbraw/zinc/84/45/74/433844574.db2.gz SBLCRBZJIPLDDZ-WMLDXEAASA-N 0 3 311.429 3.032 20 30 DGEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000433344350 433848110 /nfs/dbraw/zinc/84/81/10/433848110.db2.gz REOTYFHIFAZPJU-SZVBFZGTSA-N 0 3 313.445 3.268 20 30 DGEDHN CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000414823663 433863629 /nfs/dbraw/zinc/86/36/29/433863629.db2.gz IRNIGYMBPZUPSH-QGZVFWFLSA-N 0 3 322.412 3.309 20 30 DGEDHN N#CCCCCN1CCN(c2cccc(Br)c2)CC1 ZINC000284717611 433902346 /nfs/dbraw/zinc/90/23/46/433902346.db2.gz JDRIQOYAVXBTMU-UHFFFAOYSA-N 0 3 322.250 3.265 20 30 DGEDHN CC(C)[C@H](CNC(=O)c1ccc(C#N)s1)N1CCC(C)CC1 ZINC000362970045 433933590 /nfs/dbraw/zinc/93/35/90/433933590.db2.gz RCWOWCPFSQHYNB-HNNXBMFYSA-N 0 3 319.474 3.106 20 30 DGEDHN CCN(CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000303778228 433961379 /nfs/dbraw/zinc/96/13/79/433961379.db2.gz CNZMOKXYTOPGDM-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457089199 433979537 /nfs/dbraw/zinc/97/95/37/433979537.db2.gz LBQOAZPKXPDUIQ-AEFFLSMTSA-N 0 3 300.446 3.287 20 30 DGEDHN CC(C)[C@@H](CNC(=O)c1ccc(C#N)s1)N1CCC(C)CC1 ZINC000362970046 433936248 /nfs/dbraw/zinc/93/62/48/433936248.db2.gz RCWOWCPFSQHYNB-OAHLLOKOSA-N 0 3 319.474 3.106 20 30 DGEDHN C[C@@]1(CCCO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000345962214 434028558 /nfs/dbraw/zinc/02/85/58/434028558.db2.gz RGMFCYDDWOMFFP-KRWDZBQOSA-N 0 3 324.371 3.287 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000285666656 434031921 /nfs/dbraw/zinc/03/19/21/434031921.db2.gz TZHJCNHJGUYCDL-LJQANCHMSA-N 0 3 313.445 3.049 20 30 DGEDHN CC[C@]1(C)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000352544481 434042438 /nfs/dbraw/zinc/04/24/38/434042438.db2.gz BBKZPDFBGCBOII-IEBWSBKVSA-N 0 3 311.429 3.176 20 30 DGEDHN CC1(C)CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000352426285 434043403 /nfs/dbraw/zinc/04/34/03/434043403.db2.gz SHEDZHLPYZLXEN-QGZVFWFLSA-N 0 3 311.429 3.176 20 30 DGEDHN COc1cc(CNCc2ccc3ncccc3c2)ccc1C#N ZINC000353220075 434068337 /nfs/dbraw/zinc/06/83/37/434068337.db2.gz CCQFRNZQISDURF-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN Cc1nc2ccccc2n1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353255708 434071935 /nfs/dbraw/zinc/07/19/35/434071935.db2.gz NYGUTDZDLHALQR-GOSISDBHSA-N 0 3 316.408 3.494 20 30 DGEDHN C=CC(C)(C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000450330191 434104787 /nfs/dbraw/zinc/10/47/87/434104787.db2.gz NZPGYSUBERUQBV-UHFFFAOYSA-N 0 3 315.461 3.368 20 30 DGEDHN COc1ccc(OCCN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353416556 434121000 /nfs/dbraw/zinc/12/10/00/434121000.db2.gz YLHZCANRWWBKAG-LJQANCHMSA-N 0 3 308.381 3.223 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000294695101 434128869 /nfs/dbraw/zinc/12/88/69/434128869.db2.gz AWJNDEVUXANVFO-GOSISDBHSA-N 0 3 301.430 3.336 20 30 DGEDHN N#Cc1cc(NC[C@H]2CCCN(Cc3cccs3)C2)ccn1 ZINC000286062657 434153521 /nfs/dbraw/zinc/15/35/21/434153521.db2.gz COOYOYDUTCRGQX-CQSZACIVSA-N 0 3 312.442 3.339 20 30 DGEDHN CN(CCC#N)c1ccc(CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000294942079 434154999 /nfs/dbraw/zinc/15/49/99/434154999.db2.gz CIPSYHAWPTYKGJ-HXUWFJFHSA-N 0 3 323.440 3.202 20 30 DGEDHN Cc1ccc(C#N)c(NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000286163738 434185137 /nfs/dbraw/zinc/18/51/37/434185137.db2.gz JRFFLRVSCSOZNT-HNNXBMFYSA-N 0 3 321.428 3.294 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000286202880 434194993 /nfs/dbraw/zinc/19/49/93/434194993.db2.gz XZFDVJBJGWEPFA-RHSMWYFYSA-N 0 3 302.418 3.082 20 30 DGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(C#N)c1)N(C)C ZINC000357854557 434218102 /nfs/dbraw/zinc/21/81/02/434218102.db2.gz QOYMGHLPUOCSLD-HNAYVOBHSA-N 0 3 321.424 3.288 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000286367287 434244972 /nfs/dbraw/zinc/24/49/72/434244972.db2.gz ACFPMBDKIZXUNN-SZVBFZGTSA-N 0 3 313.445 3.096 20 30 DGEDHN COC(CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC ZINC000364273635 434266316 /nfs/dbraw/zinc/26/63/16/434266316.db2.gz WPNAQNATKVWNQB-AWEZNQCLSA-N 0 3 310.397 3.495 20 30 DGEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000286442135 434271352 /nfs/dbraw/zinc/27/13/52/434271352.db2.gz OFSCFJHPTGFMME-DGCLKSJQSA-N 0 3 324.350 3.035 20 30 DGEDHN C=CCOCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357884060 434228321 /nfs/dbraw/zinc/22/83/21/434228321.db2.gz YTSBWBYYBROCHZ-LPHOPBHVSA-N 0 3 318.461 3.085 20 30 DGEDHN N#Cc1ccc(OCCN2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000437544140 434285507 /nfs/dbraw/zinc/28/55/07/434285507.db2.gz XGFDPDOIXXDUEM-DLBZAZTESA-N 0 3 302.443 3.297 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348265486 434290378 /nfs/dbraw/zinc/29/03/78/434290378.db2.gz DYUMVRLOGFTNRY-RVKKMQEKSA-N 0 3 309.413 3.278 20 30 DGEDHN COc1cc(CN[C@@H](c2ccccc2)C(C)(C)CO)ccc1C#N ZINC000348364494 434290866 /nfs/dbraw/zinc/29/08/66/434290866.db2.gz YNOSDZDZRRQYKA-IBGZPJMESA-N 0 3 324.424 3.416 20 30 DGEDHN O=C(N[C@H](CO)CC1CCCC1)[C@@H]1CCCN1C1CCCC1 ZINC000328677684 434295572 /nfs/dbraw/zinc/29/55/72/434295572.db2.gz MCYGTNGVOYWBHI-RDJZCZTQSA-N 0 3 308.466 3.291 20 30 DGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CN(C)C ZINC000286953390 434298657 /nfs/dbraw/zinc/29/86/57/434298657.db2.gz JMRQWXCFMRQQPP-STQMWFEESA-N 0 3 320.462 3.010 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000287047334 434301781 /nfs/dbraw/zinc/30/17/81/434301781.db2.gz MPZFEIQEALXBDW-UHFFFAOYSA-N 0 3 314.433 3.092 20 30 DGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ncoc2C2CC2)C1 ZINC000328832478 434316527 /nfs/dbraw/zinc/31/65/27/434316527.db2.gz LHOYANBKETYVKL-GFCCVEGCSA-N 0 3 305.422 3.367 20 30 DGEDHN Cc1nccn1CCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000328873867 434321728 /nfs/dbraw/zinc/32/17/28/434321728.db2.gz FIHDKVCGOHEGCV-UHFFFAOYSA-N 0 3 318.465 3.193 20 30 DGEDHN Cc1[nH]nc2ncc(NC(=O)[C@H]3CCCN3C3CCCC3)cc12 ZINC000328866822 434322237 /nfs/dbraw/zinc/32/22/37/434322237.db2.gz BZPNBJNIJYDCOB-OAHLLOKOSA-N 0 3 313.405 3.261 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c(F)c1 ZINC000328906628 434324721 /nfs/dbraw/zinc/32/47/21/434324721.db2.gz KXKYEYPHCMJOEJ-WMLDXEAASA-N 0 3 319.380 3.209 20 30 DGEDHN Cc1cccc(C)c1NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328917650 434330059 /nfs/dbraw/zinc/33/00/59/434330059.db2.gz RXARPUAHVNJOOK-KBXCAEBGSA-N 0 3 315.417 3.379 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)Nc1nc(C2CC2)cs1 ZINC000329161487 434364634 /nfs/dbraw/zinc/36/46/34/434364634.db2.gz FQXCCYQURKHFAT-LBPRGKRZSA-N 0 3 308.451 3.221 20 30 DGEDHN Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000329167354 434369437 /nfs/dbraw/zinc/36/94/37/434369437.db2.gz IKTMRPDJFOVGCK-CYBMUJFWSA-N 0 3 305.422 3.428 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ccnc(C#N)c1 ZINC000390842446 434372268 /nfs/dbraw/zinc/37/22/68/434372268.db2.gz DMETURBZLTVGCQ-LJQANCHMSA-N 0 3 320.440 3.088 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)NCC2=CCN(C)CC2)c1C1CC1 ZINC000329211759 434373806 /nfs/dbraw/zinc/37/38/06/434373806.db2.gz HHUBZTHBSPTPLM-ZDUSSCGKSA-N 0 3 316.449 3.298 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000295480422 434381374 /nfs/dbraw/zinc/38/13/74/434381374.db2.gz RJJHMSHZBGQKJK-LSDHHAIUSA-N 0 3 313.445 3.223 20 30 DGEDHN Cc1noc(C)c1C(C)(C)NC(=O)C1CCN(C2CC2)CC1 ZINC000329302481 434391999 /nfs/dbraw/zinc/39/19/99/434391999.db2.gz WKWQVTGABLBDRU-UHFFFAOYSA-N 0 3 305.422 3.357 20 30 DGEDHN CN1CCC(CCO)(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000329283553 434385070 /nfs/dbraw/zinc/38/50/70/434385070.db2.gz NMFRDZLSWWUAJY-YESZJQIVSA-N 0 3 322.493 3.396 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000366181994 434351836 /nfs/dbraw/zinc/35/18/36/434351836.db2.gz JNHVRASDWDYHKW-OAHLLOKOSA-N 0 3 323.383 3.187 20 30 DGEDHN COCCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000287398816 434354349 /nfs/dbraw/zinc/35/43/49/434354349.db2.gz JBHUIXQAPXMZLH-DLBZAZTESA-N 0 3 302.418 3.274 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000438051074 434392596 /nfs/dbraw/zinc/39/25/96/434392596.db2.gz BGEWSZSNIIUSFV-UMVBOHGHSA-N 0 3 317.458 3.097 20 30 DGEDHN Cc1nsc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000329371684 434401519 /nfs/dbraw/zinc/40/15/19/434401519.db2.gz KDSXHKNVCGIIMP-WFASDCNBSA-N 0 3 312.442 3.398 20 30 DGEDHN CC(C)Oc1ccc([C@@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000340867424 434401596 /nfs/dbraw/zinc/40/15/96/434401596.db2.gz ANLXWHFTAFQDGE-LJQANCHMSA-N 0 3 324.428 3.455 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000359248453 434414422 /nfs/dbraw/zinc/41/44/22/434414422.db2.gz CIBQUOUUCDQZJA-PMPSAXMXSA-N 0 3 319.497 3.287 20 30 DGEDHN C[C@@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000423444465 434430685 /nfs/dbraw/zinc/43/06/85/434430685.db2.gz XQZZFOVDHFTJJZ-BFUOFWGJSA-N 0 3 309.388 3.235 20 30 DGEDHN CC(C)=CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295710414 434433616 /nfs/dbraw/zinc/43/36/16/434433616.db2.gz WKSZWIXRCSWMKF-CRAIPNDOSA-N 0 3 309.413 3.492 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(C)cc2Cl)CC1 ZINC000295782661 434434689 /nfs/dbraw/zinc/43/46/89/434434689.db2.gz DAXNQWLMJXIHNB-UHFFFAOYSA-N 0 3 304.821 3.241 20 30 DGEDHN Cc1cc(C)n([C@@H](C)CC(=O)NCCN2CC=C(C)CC2)n1 ZINC000329704484 434463020 /nfs/dbraw/zinc/46/30/20/434463020.db2.gz IUXLIQISDFNIIJ-INIZCTEOSA-N 0 3 304.438 3.060 20 30 DGEDHN CC(C)c1nccn1CCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329695778 434463716 /nfs/dbraw/zinc/46/37/16/434463716.db2.gz DEVXWBSJGDTDKW-AWEZNQCLSA-N 0 3 304.438 3.004 20 30 DGEDHN CN1CCC(Nc2ccccc2NC(=O)C[C@H]2CCOC2)CC1 ZINC000329724058 434465514 /nfs/dbraw/zinc/46/55/14/434465514.db2.gz BLPCCGFLQAUSOC-CQSZACIVSA-N 0 3 317.433 3.207 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C#N)o2)C1(C)C ZINC000401547546 434495245 /nfs/dbraw/zinc/49/52/45/434495245.db2.gz XJVPCJGOCFZEPN-AWEZNQCLSA-N 0 3 319.405 3.029 20 30 DGEDHN CC1(C)CCCN1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000450952444 434501310 /nfs/dbraw/zinc/50/13/10/434501310.db2.gz TVPCZRZJSVENGM-UHFFFAOYSA-N 0 3 312.339 3.258 20 30 DGEDHN Cc1nc(N[C@@H](C)CN2CCC[C@@H](C)C2)c(Cl)cc1C#N ZINC000359906552 434454241 /nfs/dbraw/zinc/45/42/41/434454241.db2.gz VUWPGRKVNADDTG-NEPJUHHUSA-N 0 3 306.841 3.447 20 30 DGEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000403971924 434506957 /nfs/dbraw/zinc/50/69/57/434506957.db2.gz BWJPUROYPMEHRZ-HNAYVOBHSA-N 0 3 323.415 3.450 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCCCC1 ZINC000458520398 434545543 /nfs/dbraw/zinc/54/55/43/434545543.db2.gz OQVNMBJMBWSWBA-HUUCEWRRSA-N 0 3 305.466 3.190 20 30 DGEDHN N#CCC[C@@H](NC(=O)NC[C@H](N)c1ccccc1)c1ccccc1 ZINC000417925269 434551682 /nfs/dbraw/zinc/55/16/82/434551682.db2.gz YBWJQZXMTUAWNU-ZWKOTPCHSA-N 0 3 322.412 3.031 20 30 DGEDHN COc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1C#N ZINC000367682877 434554885 /nfs/dbraw/zinc/55/48/85/434554885.db2.gz HJVNLOJXGHCFDP-RDJZCZTQSA-N 0 3 314.429 3.205 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417973053 434561521 /nfs/dbraw/zinc/56/15/21/434561521.db2.gz CCWNYYMMTIAFOR-RHSMWYFYSA-N 0 3 303.450 3.293 20 30 DGEDHN N#Cc1c(CN2CCC[C@@H]2C2CCOCC2)cn2ccccc12 ZINC000348952200 434562925 /nfs/dbraw/zinc/56/29/25/434562925.db2.gz UYWLEHFDILQKTA-GOSISDBHSA-N 0 3 309.413 3.202 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@]2(CCSC2)C1 ZINC000451963738 434582178 /nfs/dbraw/zinc/58/21/78/434582178.db2.gz IWFUODACYDOTGP-NVXWUHKLSA-N 0 3 310.507 3.019 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@]2(CCSC2)C1 ZINC000451963739 434582626 /nfs/dbraw/zinc/58/26/26/434582626.db2.gz IWFUODACYDOTGP-RDJZCZTQSA-N 0 3 310.507 3.019 20 30 DGEDHN COc1cc(CN2CCSC[C@@H]2C2CCC2)ccc1C#N ZINC000418126504 434596402 /nfs/dbraw/zinc/59/64/02/434596402.db2.gz LNFSDAOKFITDAK-MRXNPFEDSA-N 0 3 302.443 3.284 20 30 DGEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000459569233 434612682 /nfs/dbraw/zinc/61/26/82/434612682.db2.gz YIEQAYFAIYEQQI-IBGZPJMESA-N 0 3 314.429 3.306 20 30 DGEDHN Cc1ccc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)cc1 ZINC000424074010 434614058 /nfs/dbraw/zinc/61/40/58/434614058.db2.gz GLGZSJUDDSFNFM-CYBMUJFWSA-N 0 3 314.414 3.078 20 30 DGEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424070115 434615925 /nfs/dbraw/zinc/61/59/25/434615925.db2.gz RKCDKFQJIPRGOB-CABCVRRESA-N 0 3 307.825 3.174 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000424092066 434619857 /nfs/dbraw/zinc/61/98/57/434619857.db2.gz PHOSRCLMPSGQGV-LSDHHAIUSA-N 0 3 305.809 3.025 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000424086833 434620402 /nfs/dbraw/zinc/62/04/02/434620402.db2.gz HDODSMLMIBZGFC-QZTJIDSGSA-N 0 3 311.429 3.076 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000424089409 434620644 /nfs/dbraw/zinc/62/06/44/434620644.db2.gz HYONCOYQMKWSNL-LJQANCHMSA-N 0 3 321.424 3.352 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459591025 434622937 /nfs/dbraw/zinc/62/29/37/434622937.db2.gz ZIJRNZSKDFXELZ-DISONHOPSA-N 0 3 319.470 3.258 20 30 DGEDHN CC(C)CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424122525 434628791 /nfs/dbraw/zinc/62/87/91/434628791.db2.gz JNROBVAVVPGFHI-MRXNPFEDSA-N 0 3 303.406 3.071 20 30 DGEDHN Cc1ccccc1[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000424127268 434630347 /nfs/dbraw/zinc/63/03/47/434630347.db2.gz QGICPDQZJUGIEP-HZPDHXFCSA-N 0 3 301.434 3.220 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452524795 434636348 /nfs/dbraw/zinc/63/63/48/434636348.db2.gz IBZDUHUPONPDPE-KZNAEPCWSA-N 0 3 309.413 3.183 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(F)cc2)C(C)(C)C)C1=O ZINC000410425897 434643499 /nfs/dbraw/zinc/64/34/99/434643499.db2.gz LVIWPAGBRCUWOV-CVEARBPZSA-N 0 3 304.409 3.289 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424318580 434693448 /nfs/dbraw/zinc/69/34/48/434693448.db2.gz CZYRLQSPRRCRRN-MJSCVDMRSA-N 0 3 312.413 3.450 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418458977 434659000 /nfs/dbraw/zinc/65/90/00/434659000.db2.gz XXTHJXLSOYRFFL-IBGZPJMESA-N 0 3 323.440 3.127 20 30 DGEDHN CC(C)(C)NC(=O)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360647844 434659341 /nfs/dbraw/zinc/65/93/41/434659341.db2.gz OBFUJDWPHPUEKV-KRWDZBQOSA-N 0 3 313.445 3.220 20 30 DGEDHN C=CCN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000418484287 434664628 /nfs/dbraw/zinc/66/46/28/434664628.db2.gz GKUBEXBIXIEMIR-SFHVURJKSA-N 0 3 309.413 3.200 20 30 DGEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2CCc2ccccc2)nn1 ZINC000424300189 434685064 /nfs/dbraw/zinc/68/50/64/434685064.db2.gz XBLKIGJLXTZBLN-HKUYNNGSSA-N 0 3 310.445 3.355 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1cccc(C)c1 ZINC000354243806 434686936 /nfs/dbraw/zinc/68/69/36/434686936.db2.gz MFINIUDQDVNNHM-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](CC(C)C)OC ZINC000419200133 434747531 /nfs/dbraw/zinc/74/75/31/434747531.db2.gz WLWDXSGQEHUKCX-GOSISDBHSA-N 0 3 304.434 3.068 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000411072496 434712027 /nfs/dbraw/zinc/71/20/27/434712027.db2.gz UHBMVLBUDLAFBX-ZWKOTPCHSA-N 0 3 309.413 3.326 20 30 DGEDHN CN(CCOc1ccccc1C#N)C1CC(OC(C)(C)C)C1 ZINC000360897217 434723163 /nfs/dbraw/zinc/72/31/63/434723163.db2.gz KZPAORMYIFCLAC-UHFFFAOYSA-N 0 3 302.418 3.215 20 30 DGEDHN COc1cc(CNCCc2ccc(F)c(F)c2F)ccc1C#N ZINC000440611976 434724183 /nfs/dbraw/zinc/72/41/83/434724183.db2.gz OWCVJQXSGNOGEL-UHFFFAOYSA-N 0 3 320.314 3.316 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CCCC)CCOCC1 ZINC000424627084 434763572 /nfs/dbraw/zinc/76/35/72/434763572.db2.gz KEHOCVWIYFTPLN-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419329721 434774477 /nfs/dbraw/zinc/77/44/77/434774477.db2.gz BJZIVWFGQZYGED-GJZGRUSLSA-N 0 3 313.445 3.223 20 30 DGEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](CC)CN1C(C)=O ZINC000444649132 434786905 /nfs/dbraw/zinc/78/69/05/434786905.db2.gz LIONHOHNVMGXRR-DLBZAZTESA-N 0 3 307.482 3.428 20 30 DGEDHN COCCOc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000411446086 434782685 /nfs/dbraw/zinc/78/26/85/434782685.db2.gz HZVFTCDTXLRPFM-UONOGXRCSA-N 0 3 306.406 3.063 20 30 DGEDHN CCc1cnccc1[C@@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000411509249 434791568 /nfs/dbraw/zinc/79/15/68/434791568.db2.gz WBLYFSBBFNTEFK-CQSZACIVSA-N 0 3 322.412 3.195 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(-c2ncco2)cc1F ZINC000411645575 434813762 /nfs/dbraw/zinc/81/37/62/434813762.db2.gz LBTLIDHQOFPUQJ-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000372892932 434860773 /nfs/dbraw/zinc/86/07/73/434860773.db2.gz SYFVXJVHSHNASL-PKOBYXMFSA-N 0 3 312.457 3.474 20 30 DGEDHN Cc1cc(CC(C)(C)NC(=O)C(C)C#N)ccc1Br ZINC000554008790 434908959 /nfs/dbraw/zinc/90/89/59/434908959.db2.gz SKVHMOZZIBXUFZ-LLVKDONJSA-N 0 3 323.234 3.355 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1ccc(C#N)cn1 ZINC000573930832 434936853 /nfs/dbraw/zinc/93/68/53/434936853.db2.gz DGCDYSGZNOGDMV-DLBZAZTESA-N 0 3 320.440 3.048 20 30 DGEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H]1OCCc2sccc21 ZINC000492225756 434937975 /nfs/dbraw/zinc/93/79/75/434937975.db2.gz NEMDHSXSGQUXKU-BONVTDFDSA-N 0 3 304.440 3.473 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN1CCC(C)(C)C1 ZINC000573814977 434928261 /nfs/dbraw/zinc/92/82/61/434928261.db2.gz OSMVPTNWNABNJA-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN N#Cc1c2c(cnc1NC[C@@H]1CCN1C1CCCCC1)CCC2 ZINC000528118134 435020126 /nfs/dbraw/zinc/02/01/26/435020126.db2.gz PCUFBXQQEUCMMU-INIZCTEOSA-N 0 3 310.445 3.261 20 30 DGEDHN C[C@@H]1CC(F)(F)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000528766752 435029137 /nfs/dbraw/zinc/02/91/37/435029137.db2.gz HVRDHAIOQOYYFR-GFCCVEGCSA-N 0 3 307.344 3.006 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000529044100 435031831 /nfs/dbraw/zinc/03/18/31/435031831.db2.gz JYFVZVZEFUEMCP-MVKNRQEXSA-N 0 3 304.415 3.256 20 30 DGEDHN CCC[C@H]1[C@H](C)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000464739166 434995410 /nfs/dbraw/zinc/99/54/10/434995410.db2.gz WDKFPVKEOGYMKI-CVEARBPZSA-N 0 3 305.466 3.230 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1C(C)(C)C ZINC000556329861 435005196 /nfs/dbraw/zinc/00/51/96/435005196.db2.gz KXQGHDAMFUDHDD-SJORKVTESA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000525636636 435007054 /nfs/dbraw/zinc/00/70/54/435007054.db2.gz GBZYECIUONRWDN-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN CCCCN(CC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000527128681 435009885 /nfs/dbraw/zinc/00/98/85/435009885.db2.gz SYHLKLWNIWNPSC-INIZCTEOSA-N 0 3 313.445 3.412 20 30 DGEDHN C[C@@H](CN(C)Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000529674606 435039218 /nfs/dbraw/zinc/03/92/18/435039218.db2.gz SZRAUKBPFJOGQM-AWEZNQCLSA-N 0 3 311.433 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000465860760 435048737 /nfs/dbraw/zinc/04/87/37/435048737.db2.gz OAYUYZBJIAMHDZ-ROUUACIJSA-N 0 3 319.493 3.295 20 30 DGEDHN C=CCCN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000467010482 435105795 /nfs/dbraw/zinc/10/57/95/435105795.db2.gz IFAJADQGOAYDDN-INIZCTEOSA-N 0 3 315.461 3.430 20 30 DGEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000560943284 435196691 /nfs/dbraw/zinc/19/66/91/435196691.db2.gz LEVYBAGRHPBPFR-MSOLQXFVSA-N 0 3 306.413 3.336 20 30 DGEDHN CN(C[C@@H]1CCCN1CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000494708401 435197504 /nfs/dbraw/zinc/19/75/04/435197504.db2.gz BXTLTTRWWRSKOT-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2cccc(Br)c2C#N)CN1C1CC1 ZINC000579657692 435171088 /nfs/dbraw/zinc/17/10/88/435171088.db2.gz FVEICCWMTYKDNS-GHMZBOCLSA-N 0 3 320.234 3.358 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H]2Cc2ccccc2)c1 ZINC000532646921 435182298 /nfs/dbraw/zinc/18/22/98/435182298.db2.gz IRNAHJQIBMHUNL-IBGZPJMESA-N 0 3 319.408 3.204 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNCc1ccc(C#N)cc1F)C(C)C ZINC000533311939 435225347 /nfs/dbraw/zinc/22/53/47/435225347.db2.gz JBQNNBNBIAOFOM-IBGZPJMESA-N 0 3 315.436 3.486 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000496427670 435212803 /nfs/dbraw/zinc/21/28/03/435212803.db2.gz BAUZTUHJZDAJFA-RRFJBIMHSA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CCC1 ZINC000496629178 435234090 /nfs/dbraw/zinc/23/40/90/435234090.db2.gz YRGHVQFCISTEIX-HUUCEWRRSA-N 0 3 321.465 3.305 20 30 DGEDHN C[C@H](CCC#N)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495938715 298364642 /nfs/dbraw/zinc/36/46/42/298364642.db2.gz BKMPKHBWQWHSHO-KGLIPLIRSA-N 0 3 309.454 3.304 20 30 DGEDHN N#CCCC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000564917053 435275922 /nfs/dbraw/zinc/27/59/22/435275922.db2.gz LEIXPWCQFIGVGD-OAHLLOKOSA-N 0 3 322.836 3.095 20 30 DGEDHN CN(C)C[C@@H](CNC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000565603688 435279285 /nfs/dbraw/zinc/27/92/85/435279285.db2.gz NNFAFXJDMAAKGR-CQSZACIVSA-N 0 3 321.852 3.041 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1ccc(CC#N)cc1 ZINC000496980190 435280183 /nfs/dbraw/zinc/28/01/83/435280183.db2.gz QZKVTQZHLHXUIN-UHFFFAOYSA-N 0 3 317.433 3.146 20 30 DGEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496996179 435282737 /nfs/dbraw/zinc/28/27/37/435282737.db2.gz KQQSFUSMGLXPLU-ZIAGYGMSSA-N 0 3 309.454 3.161 20 30 DGEDHN N#Cc1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)ccc1F ZINC000584209395 435283607 /nfs/dbraw/zinc/28/36/07/435283607.db2.gz QBGFTPCXUMDKAC-KRWDZBQOSA-N 0 3 315.392 3.433 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCC1(C#N)CCC1 ZINC000497104373 435298346 /nfs/dbraw/zinc/29/83/46/435298346.db2.gz BQYLOLDUTGZSOQ-LSDHHAIUSA-N 0 3 321.465 3.353 20 30 DGEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)C(C)(C)C)cc1 ZINC000583992635 435262966 /nfs/dbraw/zinc/26/29/66/435262966.db2.gz WASSNPMBKHWQRY-UHFFFAOYSA-N 0 3 317.433 3.062 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc([C@@H]3CCOC3)c2)nc(C)n1 ZINC000535650716 435340463 /nfs/dbraw/zinc/34/04/63/435340463.db2.gz LAYYEZULZCVOHO-IAGOWNOFSA-N 0 3 321.380 3.087 20 30 DGEDHN C=CCC1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC1 ZINC000479945520 435358226 /nfs/dbraw/zinc/35/82/26/435358226.db2.gz ZSJIWKIAEDQEBS-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000639757813 435408543 /nfs/dbraw/zinc/40/85/43/435408543.db2.gz NZEONBDLZQSBNY-OAHLLOKOSA-N 0 3 308.429 3.453 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1Cc1ccccc1C ZINC000514189336 435414364 /nfs/dbraw/zinc/41/43/64/435414364.db2.gz LJYJDEHJKRLBOW-IBGZPJMESA-N 0 3 312.457 3.203 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1conc1Cc1ccccc1 ZINC000567922024 435369773 /nfs/dbraw/zinc/36/97/73/435369773.db2.gz LMXOOSCUMBOJAD-APWZRJJASA-N 0 3 312.413 3.336 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)[C@H](C)CCO)cc1OC ZINC000628325892 435397941 /nfs/dbraw/zinc/39/79/41/435397941.db2.gz IPNCDBWOSARZEZ-GFCCVEGCSA-N 0 3 313.825 3.116 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000537190700 435430407 /nfs/dbraw/zinc/43/04/07/435430407.db2.gz ULWXYISJIDXYDP-UHFFFAOYSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000483250797 435505026 /nfs/dbraw/zinc/50/50/26/435505026.db2.gz BPSOCSMXUYNCAB-OAGGEKHMSA-N 0 3 307.482 3.008 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000644798223 435516137 /nfs/dbraw/zinc/51/61/37/435516137.db2.gz DRWUDESYZVZOHE-QGZVFWFLSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000538751744 435521558 /nfs/dbraw/zinc/52/15/58/435521558.db2.gz KWZMHVTWDPAXKJ-MRXNPFEDSA-N 0 3 317.429 3.415 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000637621083 435485296 /nfs/dbraw/zinc/48/52/96/435485296.db2.gz LLJJNIRHXHCCRM-SFHVURJKSA-N 0 3 307.482 3.106 20 30 DGEDHN CCCC1CCC(N(C)CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000484880191 435556144 /nfs/dbraw/zinc/55/61/44/435556144.db2.gz XEKJSXTXTFKYER-GTPINHCMSA-N 0 3 307.482 3.285 20 30 DGEDHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000496967547 298878760 /nfs/dbraw/zinc/87/87/60/298878760.db2.gz INPCZENNNWVXIB-CABCVRRESA-N 0 3 321.465 3.448 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(F)cc1Br ZINC000539296556 435543919 /nfs/dbraw/zinc/54/39/19/435543919.db2.gz CIYYJPKTSOWGPY-QWRGUYRKSA-N 0 3 316.214 3.423 20 30 DGEDHN C=CCNC(=O)CN[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000540588686 435608331 /nfs/dbraw/zinc/60/83/31/435608331.db2.gz AFVPPNXPHPWLPJ-LJQANCHMSA-N 0 3 300.446 3.228 20 30 DGEDHN CCCN(CCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000540686795 435611692 /nfs/dbraw/zinc/61/16/92/435611692.db2.gz BGXRIRFGSMUTMV-OAHLLOKOSA-N 0 3 302.418 3.478 20 30 DGEDHN CN(CCC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccncc1 ZINC000541858206 435645441 /nfs/dbraw/zinc/64/54/41/435645441.db2.gz DRGBVMIMQGURJT-UHFFFAOYSA-N 0 3 322.412 3.348 20 30 DGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000489515468 435649714 /nfs/dbraw/zinc/64/97/14/435649714.db2.gz RPKXFUZVKLJURU-AWEZNQCLSA-N 0 3 317.389 3.272 20 30 DGEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000491306032 435728970 /nfs/dbraw/zinc/72/89/70/435728970.db2.gz LJLQEXRILHDOPC-RYUDHWBXSA-N 0 3 312.335 3.424 20 30 DGEDHN Cc1ccoc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000491429568 435750291 /nfs/dbraw/zinc/75/02/91/435750291.db2.gz HLZNQEFYALLMAV-UHFFFAOYSA-N 0 3 309.413 3.214 20 30 DGEDHN CC[C@@H](C)N(Cc1ccccc1)Cc1cnc2c(C#N)cnn2c1 ZINC000571443450 435707604 /nfs/dbraw/zinc/70/76/04/435707604.db2.gz LRXKUNOSIVMQQA-OAHLLOKOSA-N 0 3 319.412 3.402 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@]2(C)Cc2cccc(F)c2)C1=O ZINC000571556216 435716447 /nfs/dbraw/zinc/71/64/47/435716447.db2.gz LOMWAJXXAJZGKM-IEBWSBKVSA-N 0 3 316.420 3.010 20 30 DGEDHN C#C[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000491725668 435798315 /nfs/dbraw/zinc/79/83/15/435798315.db2.gz IIOBDBRZTZPDJP-FQEVSTJZSA-N 0 3 323.415 3.149 20 30 DGEDHN C#CCN(C(=O)c1ccc(CN2CCCC2)cc1)C1CCCC1 ZINC000491718049 435798941 /nfs/dbraw/zinc/79/89/41/435798941.db2.gz YZNIFTMRQLIIRV-UHFFFAOYSA-N 0 3 310.441 3.300 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000651708159 435799895 /nfs/dbraw/zinc/79/98/95/435799895.db2.gz HOFALQUCHXXTIS-FMKPAKJESA-N 0 3 302.393 3.265 20 30 DGEDHN C=CC[C@@H]1CC[C@H](NCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000651751239 435815049 /nfs/dbraw/zinc/81/50/49/435815049.db2.gz PXHHCZMHTATJHT-ZBFHGGJFSA-N 0 3 302.418 3.358 20 30 DGEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000651765902 435820041 /nfs/dbraw/zinc/82/00/41/435820041.db2.gz MEBVVGMNTASELZ-ZACQAIPSSA-N 0 3 321.486 3.492 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000651815364 435835675 /nfs/dbraw/zinc/83/56/75/435835675.db2.gz MZDXTOLZCHMWMS-ATZDWAIDSA-N 0 3 300.446 3.410 20 30 DGEDHN C=CCCCN1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664939965 435850343 /nfs/dbraw/zinc/85/03/43/435850343.db2.gz LAOMLGYZXJBUKM-UHFFFAOYSA-N 0 3 301.365 3.415 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC=C)CC1 ZINC000660707447 435866989 /nfs/dbraw/zinc/86/69/89/435866989.db2.gz PAXFBXKRDFZZGZ-RDJZCZTQSA-N 0 3 305.466 3.071 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1nnc(C(C)C)s1 ZINC000661114816 435969823 /nfs/dbraw/zinc/96/98/23/435969823.db2.gz MSRDSIUESGNWGS-STQMWFEESA-N 0 3 322.478 3.325 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661192897 435991592 /nfs/dbraw/zinc/99/15/92/435991592.db2.gz AZARKLBIFRDTCC-ZWKOTPCHSA-N 0 3 303.446 3.383 20 30 DGEDHN C=CCN(CC[C@@H]1Sc2ccccc2NC1=O)[C@@H](C)COC ZINC000661240962 436004965 /nfs/dbraw/zinc/00/49/65/436004965.db2.gz UOFXAGNUHVWPPO-BBRMVZONSA-N 0 3 320.458 3.012 20 30 DGEDHN C=CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000665945296 436102304 /nfs/dbraw/zinc/10/23/04/436102304.db2.gz HQCFSPZMFVEHMK-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C[C@H](CC(=O)N(C)CCN1CCCCC1)c1ccccc1 ZINC000652991067 436084242 /nfs/dbraw/zinc/08/42/42/436084242.db2.gz OXWDXLKWJVNUSA-QGZVFWFLSA-N 0 3 300.446 3.291 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cnc3n2[C@H](C)CCC3)n1 ZINC000651259222 436156524 /nfs/dbraw/zinc/15/65/24/436156524.db2.gz JPXYNIQZCIHQPG-MNOVXSKESA-N 0 3 300.387 3.035 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)C2)c1 ZINC000337705733 301224545 /nfs/dbraw/zinc/22/45/45/301224545.db2.gz ZXTWWOFXLSKBHW-YOEHRIQHSA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C ZINC000661760516 436180649 /nfs/dbraw/zinc/18/06/49/436180649.db2.gz WSSRIUILHZJSOD-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)C(C)(C)C ZINC000661760517 436181888 /nfs/dbraw/zinc/18/18/88/436181888.db2.gz WSSRIUILHZJSOD-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(OC2CC2)c1F ZINC000657454804 436209316 /nfs/dbraw/zinc/20/93/16/436209316.db2.gz MLKQRBLJNPKGMG-KDOFPFPSSA-N 0 3 305.393 3.438 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(OC2CC2)c1F ZINC000657454802 436210357 /nfs/dbraw/zinc/21/03/57/436210357.db2.gz MLKQRBLJNPKGMG-KBXCAEBGSA-N 0 3 305.393 3.438 20 30 DGEDHN C=CCOc1ccc(CNCCc2cncc(C)n2)cc1Cl ZINC000657712241 436285943 /nfs/dbraw/zinc/28/59/43/436285943.db2.gz PVOSVDBZTNGKNO-UHFFFAOYSA-N 0 3 317.820 3.336 20 30 DGEDHN C=CCC1(NCc2ncc(Br)s2)CCOCC1 ZINC000657633159 436264213 /nfs/dbraw/zinc/26/42/13/436264213.db2.gz IZZJHDQIYDRGRU-UHFFFAOYSA-N 0 3 317.252 3.121 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000662080856 436268875 /nfs/dbraw/zinc/26/88/75/436268875.db2.gz RRWYYXHXTIRETI-XYPHTWIQSA-N 0 3 302.393 3.186 20 30 DGEDHN C=CCOCCCNCc1cc(Br)ccc1OC ZINC000657655182 436269324 /nfs/dbraw/zinc/26/93/24/436269324.db2.gz BIDORBLSPBWESG-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(CCC)C1 ZINC000666928904 436307432 /nfs/dbraw/zinc/30/74/32/436307432.db2.gz WUZZPYBBWXBVQE-INIZCTEOSA-N 0 3 319.424 3.008 20 30 DGEDHN C=CCCC1(CNC(=O)[C@]2(N)C[C@H](OCC)C2(C)C)CCCC1 ZINC000662620755 436371160 /nfs/dbraw/zinc/37/11/60/436371160.db2.gz QLCYOFJHPVQHBX-HNAYVOBHSA-N 0 3 322.493 3.162 20 30 DGEDHN C=CCCC1(CN[C@@H](c2nnc[nH]2)c2cccnc2)CCCC1 ZINC000658099668 436374712 /nfs/dbraw/zinc/37/47/12/436374712.db2.gz XVLXSEVRQXOAHJ-MRXNPFEDSA-N 0 3 311.433 3.405 20 30 DGEDHN C=CCOCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000658209501 436401070 /nfs/dbraw/zinc/40/10/70/436401070.db2.gz GAYCIBRCMKXQID-SFHVURJKSA-N 0 3 300.377 3.492 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CC2CCCC2)CC1 ZINC000654431381 436414226 /nfs/dbraw/zinc/41/42/26/436414226.db2.gz IIVYGYZUVQDLIQ-SFHVURJKSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCC[C@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccco1 ZINC000658310151 436426691 /nfs/dbraw/zinc/42/66/91/436426691.db2.gz BBJXJGFRHBPNQW-MAUKXSAKSA-N 0 3 307.434 3.444 20 30 DGEDHN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655636207 436569832 /nfs/dbraw/zinc/56/98/32/436569832.db2.gz IUMXESHAJFCKIB-UHFFFAOYSA-N 0 3 319.497 3.288 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)c1 ZINC000539316816 313907308 /nfs/dbraw/zinc/90/73/08/313907308.db2.gz HKBDDGOENJCVCH-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN C[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000542488481 314079380 /nfs/dbraw/zinc/07/93/80/314079380.db2.gz SEAAWNSSUBKCMT-RDTXWAMCSA-N 0 3 312.388 3.342 20 30 DGEDHN CCCC[C@H](CC)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000546932168 314336961 /nfs/dbraw/zinc/33/69/61/314336961.db2.gz QWTSVJITSOZNOG-HOTGVXAUSA-N 0 3 315.465 3.075 20 30 DGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000547739038 314391042 /nfs/dbraw/zinc/39/10/42/314391042.db2.gz UHUGKJSNPIGIRZ-OAHLLOKOSA-N 0 3 319.836 3.062 20 30 DGEDHN CC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(C)cc1 ZINC000549761162 314518088 /nfs/dbraw/zinc/51/80/88/314518088.db2.gz GROOTVAIYXKBPG-QGZVFWFLSA-N 0 3 305.385 3.150 20 30 DGEDHN CC(C)(C)[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000550840318 314543338 /nfs/dbraw/zinc/54/33/38/314543338.db2.gz LYRPGUBNAXCTNC-QGZVFWFLSA-N 0 3 319.412 3.478 20 30 DGEDHN CCO[C@@H]1C[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566657857 315365668 /nfs/dbraw/zinc/36/56/68/315365668.db2.gz XWZQKCDCRFWKQV-WOJBJXKFSA-N 0 3 322.408 3.404 20 30 DGEDHN CN(Cc1ccc(C#N)cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000566804391 315374797 /nfs/dbraw/zinc/37/47/97/315374797.db2.gz HSNTWVDCMHIMQN-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN C[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000567182483 315403180 /nfs/dbraw/zinc/40/31/80/315403180.db2.gz MNKUQIRUIPHRMJ-INIZCTEOSA-N 0 3 312.461 3.292 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccc(Cl)cn1)CC2 ZINC000574004920 315921751 /nfs/dbraw/zinc/92/17/51/315921751.db2.gz ADQNKDXVXHDFSD-MRXNPFEDSA-N 0 3 313.788 3.263 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1NC[C@H]1CCCCN1C1CC1 ZINC000576486279 316135677 /nfs/dbraw/zinc/13/56/77/316135677.db2.gz VHOONSFALGUTFN-CYBMUJFWSA-N 0 3 324.350 3.401 20 30 DGEDHN CC(C)(C)CCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000576749059 316162498 /nfs/dbraw/zinc/16/24/98/316162498.db2.gz LYHYFMZMIYSVQM-UHFFFAOYSA-N 0 3 322.474 3.138 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000183363462 323334901 /nfs/dbraw/zinc/33/49/01/323334901.db2.gz SPJPULAAOUZTBC-GJZGRUSLSA-N 0 3 307.397 3.279 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381405219 323616593 /nfs/dbraw/zinc/61/65/93/323616593.db2.gz WIUQFGUULROLRV-MNOVXSKESA-N 0 3 309.435 3.011 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000581289503 324100240 /nfs/dbraw/zinc/10/02/40/324100240.db2.gz NILYIMVDKKHFMR-UHFFFAOYSA-N 0 3 319.836 3.063 20 30 DGEDHN Cc1nc(N[C@@H]2CCN(C3CCCC3)C2)c(Cl)cc1C#N ZINC000582214842 324203126 /nfs/dbraw/zinc/20/31/26/324203126.db2.gz ADCZGRBLHVMXRV-CYBMUJFWSA-N 0 3 304.825 3.344 20 30 DGEDHN C[C@H](Cc1cccc(Br)c1)NC[C@@H](C#N)CCC#N ZINC000557216087 331777312 /nfs/dbraw/zinc/77/73/12/331777312.db2.gz BFROYNMBBHLOAX-TZMCWYRMSA-N 0 3 320.234 3.413 20 30 DGEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000558354935 331898497 /nfs/dbraw/zinc/89/84/97/331898497.db2.gz XMPXPOPZJLVIJA-INIZCTEOSA-N 0 3 321.424 3.158 20 30 DGEDHN CN(CCC#N)c1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000077468243 331958822 /nfs/dbraw/zinc/95/88/22/331958822.db2.gz JBQPNMMIAOOHQV-HXUWFJFHSA-N 0 3 323.440 3.250 20 30 DGEDHN COc1ccc(CCN(CC(C)(C)C)C(=O)C(C)C#N)cc1 ZINC000531060873 332240947 /nfs/dbraw/zinc/24/09/47/332240947.db2.gz VOUFXFCUWKAXIF-CQSZACIVSA-N 0 3 302.418 3.272 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)(F)F)cc2)CC1 ZINC000292871189 335097094 /nfs/dbraw/zinc/09/70/94/335097094.db2.gz RXMGNWMFRQINDS-UHFFFAOYSA-N 0 3 308.372 3.179 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc(C2CC2)cc1)C(=O)NC1(C#N)CCC1 ZINC000562826803 332629750 /nfs/dbraw/zinc/62/97/50/332629750.db2.gz XXBJOTNUGHLBER-KBPBESRZSA-N 0 3 311.429 3.166 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(C)CCC(F)(F)CC2)CC1 ZINC000528450291 332703531 /nfs/dbraw/zinc/70/35/31/332703531.db2.gz NOECBJHCYPPOOO-UHFFFAOYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3c2cccc3Cl)CC1 ZINC000528451810 333036879 /nfs/dbraw/zinc/03/68/79/333036879.db2.gz ZMWTUZSHYSOUQX-MRXNPFEDSA-N 0 3 318.848 3.136 20 30 DGEDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCC1 ZINC000526056932 333107737 /nfs/dbraw/zinc/10/77/37/333107737.db2.gz QYFHEIZKEDAZDW-RHSMWYFYSA-N 0 3 311.429 3.068 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC(C)(C)CCC#N ZINC000497189726 333219830 /nfs/dbraw/zinc/21/98/30/333219830.db2.gz JBCNCGFMEVQIRC-KBPBESRZSA-N 0 3 309.454 3.304 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(C)c2)C(C)(C)C)C1=O ZINC000499612359 333287828 /nfs/dbraw/zinc/28/78/28/333287828.db2.gz RQWJFPPRWZUZQB-IRXDYDNUSA-N 0 3 300.446 3.459 20 30 DGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000188546386 333373455 /nfs/dbraw/zinc/37/34/55/333373455.db2.gz YZTPGXGRNZPTQH-GOSISDBHSA-N 0 3 317.433 3.095 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000563397727 333600826 /nfs/dbraw/zinc/60/08/26/333600826.db2.gz LPIUDHSADFCAJQ-QGZVFWFLSA-N 0 3 321.424 3.459 20 30 DGEDHN C=CCNCc1cc(Br)cc(Br)c1 ZINC000388791751 334381512 /nfs/dbraw/zinc/38/15/12/334381512.db2.gz MAFLUKTWJJSBJE-UHFFFAOYSA-N 0 3 305.013 3.487 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccsc1C)C(C)C ZINC000345161929 335302535 /nfs/dbraw/zinc/30/25/35/335302535.db2.gz LTDIWQZTRGURKX-QGZVFWFLSA-N 0 3 320.502 3.414 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(CCC#N)CC2)c1 ZINC000582239017 336390185 /nfs/dbraw/zinc/39/01/85/336390185.db2.gz HSEBXVCQCOQAFI-SFHVURJKSA-N 0 3 316.445 3.059 20 30 DGEDHN Cc1c(C#N)c(N2CC[C@H]3CC[C@@H](C2)N3C)nc2ccccc12 ZINC000297324522 533715795 /nfs/dbraw/zinc/71/57/95/533715795.db2.gz ZTOSLNCOEVRCGC-CABCVRRESA-N 0 3 306.413 3.088 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000171695347 337088378 /nfs/dbraw/zinc/08/83/78/337088378.db2.gz WRCWCWKOYVNXCB-AWEZNQCLSA-N 0 3 319.424 3.006 20 30 DGEDHN N#CCC1CCN(Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000584450492 337341110 /nfs/dbraw/zinc/34/11/10/337341110.db2.gz FROJISXSHIEZRG-UHFFFAOYSA-N 0 3 300.402 3.364 20 30 DGEDHN C[C@@H](NC[C@H]1CN(c2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000584662805 337378586 /nfs/dbraw/zinc/37/85/86/337378586.db2.gz LKWSDMUAJMYDOZ-UZLBHIALSA-N 0 3 321.424 3.114 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(OC)cc1)C(C)C ZINC000161694080 337595228 /nfs/dbraw/zinc/59/52/28/337595228.db2.gz AJGTVRCPCROSPX-IBGZPJMESA-N 0 3 318.461 3.407 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]1C(C)C)C(C)C ZINC000537230773 337926728 /nfs/dbraw/zinc/92/67/28/337926728.db2.gz TYZWEAIBAHEVQT-IAGOWNOFSA-N 0 3 307.482 3.125 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCc2ccccc2C1 ZINC000498926406 340026148 /nfs/dbraw/zinc/02/61/48/340026148.db2.gz BXORSSZFRHIZDH-INIZCTEOSA-N 0 3 300.446 3.248 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C[C@@H](CC)c2ccccc2)C1=O ZINC000499646215 340042121 /nfs/dbraw/zinc/04/21/21/340042121.db2.gz ZRNLHFNIXKLTNO-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000505040262 340159714 /nfs/dbraw/zinc/15/97/14/340159714.db2.gz UCAKQOZOOGXECH-SJLPKXTDSA-N 0 3 313.445 3.363 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000509585056 340274290 /nfs/dbraw/zinc/27/42/90/340274290.db2.gz FBVFSDACCJUCQC-ARFHVFGLSA-N 0 3 319.449 3.459 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000511179504 340323369 /nfs/dbraw/zinc/32/33/69/340323369.db2.gz XTXGDTSQZNAVRI-KDOFPFPSSA-N 0 3 301.434 3.172 20 30 DGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1cccc(Cl)c1 ZINC000511656194 340334064 /nfs/dbraw/zinc/33/40/64/340334064.db2.gz MQUWNGHUDFBOPS-KVDVXYDOSA-N 0 3 301.817 3.047 20 30 DGEDHN CO[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4cccc(Cl)c4)[C@H]1[C@H]3C2 ZINC000511656496 340334160 /nfs/dbraw/zinc/33/41/60/340334160.db2.gz MQUWNGHUDFBOPS-YECZKDOJSA-N 0 3 301.817 3.047 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000303626299 340338604 /nfs/dbraw/zinc/33/86/04/340338604.db2.gz QBCPCVMXYCIHGW-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCCC[C@H]2C)CC1 ZINC000512636282 340370360 /nfs/dbraw/zinc/37/03/60/340370360.db2.gz KXJKBJMBTQEATP-CVEARBPZSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CC(C)C)CC1 ZINC000176598605 340429053 /nfs/dbraw/zinc/42/90/53/340429053.db2.gz JPMAPLJYPQDJAE-QGZVFWFLSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ncccc1C)C(C)C ZINC000193860650 340584926 /nfs/dbraw/zinc/58/49/26/340584926.db2.gz MBAPWBKZODQCGG-INIZCTEOSA-N 0 3 316.449 3.210 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000127127309 340844809 /nfs/dbraw/zinc/84/48/09/340844809.db2.gz WBKRBCOQYNRPFK-UHFFFAOYSA-N 0 3 324.346 3.075 20 30 DGEDHN C=CC[C@H](CO)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000539227028 340877471 /nfs/dbraw/zinc/87/74/71/340877471.db2.gz NXDCUHQBSVYORQ-LBPRGKRZSA-N 0 3 307.340 3.499 20 30 DGEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000540576423 340936508 /nfs/dbraw/zinc/93/65/08/340936508.db2.gz DPSFTYLEXYEXLO-SJLPKXTDSA-N 0 3 319.832 3.403 20 30 DGEDHN CCN(C(=O)[C@H](C)N1CCC(CC#N)CC1)C1CCCCC1 ZINC000541023568 340956619 /nfs/dbraw/zinc/95/66/19/340956619.db2.gz BTHIWHYMHCTOBE-HNNXBMFYSA-N 0 3 305.466 3.182 20 30 DGEDHN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000543905173 341063015 /nfs/dbraw/zinc/06/30/15/341063015.db2.gz DQTDUIJCMXPCGZ-BRWVUGGUSA-N 0 3 317.477 3.182 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)[C@H](C)c1ccccc1 ZINC000544432833 341081946 /nfs/dbraw/zinc/08/19/46/341081946.db2.gz JELFRUOJKLIIPV-RCJHGTSTSA-N 0 3 315.461 3.211 20 30 DGEDHN N#CC(=C([O-])c1ccnc(Oc2ccccc2)c1)c1ccncn1 ZINC000546152857 341154888 /nfs/dbraw/zinc/15/48/88/341154888.db2.gz GPDCLDNJBIUGNK-HNNXBMFYSA-N 0 3 316.320 3.154 20 30 DGEDHN N#CC(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccncn1 ZINC000546152857 341154889 /nfs/dbraw/zinc/15/48/89/341154889.db2.gz GPDCLDNJBIUGNK-HNNXBMFYSA-N 0 3 316.320 3.154 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000546936295 341187542 /nfs/dbraw/zinc/18/75/42/341187542.db2.gz ZGXLLBWITGOKGJ-INIZCTEOSA-N 0 3 312.457 3.417 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000547665125 341226279 /nfs/dbraw/zinc/22/62/79/341226279.db2.gz RSDMMFRMDZBAGF-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C#N)c(Cl)c2)nc(C)n1 ZINC000547975668 341241524 /nfs/dbraw/zinc/24/15/24/341241524.db2.gz DPSSOUWZJSJGDX-CYBMUJFWSA-N 0 3 310.744 3.109 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000548098795 341247236 /nfs/dbraw/zinc/24/72/36/341247236.db2.gz BDCMZHBIKHOMBW-INDMIFKZSA-N 0 3 321.424 3.326 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NCCN1CCC(C)CC1 ZINC000079267792 341256199 /nfs/dbraw/zinc/25/61/99/341256199.db2.gz OVZXWOFNXYAKBD-UHFFFAOYSA-N 0 3 315.461 3.116 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](CN(CCC#N)CC2CC2)C1 ZINC000081044357 341278853 /nfs/dbraw/zinc/27/88/53/341278853.db2.gz WSKWMGKMLAVYGU-INIZCTEOSA-N 0 3 321.465 3.259 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000552538211 341397963 /nfs/dbraw/zinc/39/79/63/341397963.db2.gz OZJNQIKOQBDSDS-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C=C(C)COCCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000090451014 341415859 /nfs/dbraw/zinc/41/58/59/341415859.db2.gz HQDNQYGYDFUPMW-ZDUSSCGKSA-N 0 3 308.378 3.237 20 30 DGEDHN CN(C)CCSCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157879381 341647331 /nfs/dbraw/zinc/64/73/31/341647331.db2.gz NGJFAVVRPXOLCG-UHFFFAOYSA-N 0 3 303.349 3.232 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000171607189 341781308 /nfs/dbraw/zinc/78/13/08/341781308.db2.gz JHJRCYSJJSQJGG-WBVHZDCISA-N 0 3 307.482 3.247 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000362087837 500571267 /nfs/dbraw/zinc/57/12/67/500571267.db2.gz SWZTVFLPLKTGGC-GOSISDBHSA-N 0 3 323.440 3.202 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(CC)C1)C(C)C ZINC000464015227 500571288 /nfs/dbraw/zinc/57/12/88/500571288.db2.gz LUDDOQYIMWFFRO-MRXNPFEDSA-N 0 3 307.482 3.127 20 30 DGEDHN COc1cccc([C@@H](CNc2c(C#N)cccc2C#N)N(C)C)c1 ZINC000302447610 533720395 /nfs/dbraw/zinc/72/03/95/533720395.db2.gz OICLIJKCWCURDT-GOSISDBHSA-N 0 3 320.396 3.153 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Br)c1F ZINC001342362501 1179133009 /nfs/dbraw/zinc/13/30/09/1179133009.db2.gz KILNKCKRFGUMEI-SNVBAGLBSA-N 0 3 315.186 3.210 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000432292557 533733089 /nfs/dbraw/zinc/73/30/89/533733089.db2.gz WOCUSHSNXWAODU-ZIAGYGMSSA-N 0 3 314.433 3.251 20 30 DGEDHN COc1cccc([C@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000299710290 533775464 /nfs/dbraw/zinc/77/54/64/533775464.db2.gz QFHUJARGZJOROM-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN COc1cccc([C@H](CNCc2cc(C#N)cs2)N(C)C)c1 ZINC000177680108 533782699 /nfs/dbraw/zinc/78/26/99/533782699.db2.gz YPGZVRXLUWILKK-KRWDZBQOSA-N 0 3 315.442 3.021 20 30 DGEDHN C[C@H](NCCCC#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341875802 533842061 /nfs/dbraw/zinc/84/20/61/533842061.db2.gz KMXPZNRXECLXQI-AWEZNQCLSA-N 0 3 308.385 3.288 20 30 DGEDHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000293034231 533928893 /nfs/dbraw/zinc/92/88/93/533928893.db2.gz AJVBSOGZMGTRCC-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000428781032 533948764 /nfs/dbraw/zinc/94/87/64/533948764.db2.gz GHHRXMVCDFRNNB-GOSISDBHSA-N 0 3 307.397 3.223 20 30 DGEDHN COc1cc(Cl)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000344732161 533953376 /nfs/dbraw/zinc/95/33/76/533953376.db2.gz RNUIIZQBEKVFPI-AWEZNQCLSA-N 0 3 315.760 3.246 20 30 DGEDHN C[C@@H](CNC(=O)c1cccc(CC#N)c1)N(C)Cc1ccccc1 ZINC000171881551 534043532 /nfs/dbraw/zinc/04/35/32/534043532.db2.gz OUMFDMGITGJUKB-INIZCTEOSA-N 0 3 321.424 3.003 20 30 DGEDHN C[C@@H]1Cc2ccccc2CN1CCC(=O)Nc1cccc(C#N)c1 ZINC000444223188 534073608 /nfs/dbraw/zinc/07/36/08/534073608.db2.gz HFLZCDCOQDUTMZ-OAHLLOKOSA-N 0 3 319.408 3.334 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001495343715 1185035848 /nfs/dbraw/zinc/03/58/48/1185035848.db2.gz DIQWZMXFXKRCQJ-DZGCQCFKSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)c1cccs1 ZINC001498611464 1185523166 /nfs/dbraw/zinc/52/31/66/1185523166.db2.gz CIJQYNLMRDAIAR-LBPRGKRZSA-N 0 3 300.855 3.042 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000344917602 534243000 /nfs/dbraw/zinc/24/30/00/534243000.db2.gz CPBVTXQNGUVBHM-CJNGLKHVSA-N 0 3 314.433 3.092 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000347062845 534283666 /nfs/dbraw/zinc/28/36/66/534283666.db2.gz GZRFTULJALWCNR-MNOVXSKESA-N 0 3 309.207 3.046 20 30 DGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000350979734 534382491 /nfs/dbraw/zinc/38/24/91/534382491.db2.gz RUJADFFRYQDDAN-YOEHRIQHSA-N 0 3 309.413 3.135 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000455523187 534408358 /nfs/dbraw/zinc/40/83/58/534408358.db2.gz NUIFCFNHGLHYGT-QGZVFWFLSA-N 0 3 301.434 3.089 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000459108277 534411108 /nfs/dbraw/zinc/41/11/08/534411108.db2.gz YGCSMBNRKJEQMS-HNNXBMFYSA-N 0 3 309.841 3.208 20 30 DGEDHN C=C(CNC(=O)[C@H](C(C)C)N1CCCCC1)c1ccccc1 ZINC000488916739 534433940 /nfs/dbraw/zinc/43/39/40/534433940.db2.gz XSSVAHLVDQZYMB-SFHVURJKSA-N 0 3 300.446 3.327 20 30 DGEDHN [O-]c1c(O)ccc(/C=N/C2CC[NH+](C3CCCCC3)CC2)c1O ZINC000176323018 534452295 /nfs/dbraw/zinc/45/22/95/534452295.db2.gz ZOZLDELBGQYNHS-XDHOZWIPSA-N 0 3 318.417 3.019 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000495173531 534549215 /nfs/dbraw/zinc/54/92/15/534549215.db2.gz KHZWDVORFOCFAV-QZTJIDSGSA-N 0 3 315.461 3.348 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000449549203 534573589 /nfs/dbraw/zinc/57/35/89/534573589.db2.gz VRICVJHPHPSTDN-SJORKVTESA-N 0 3 317.429 3.465 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1OCC(F)(F)F ZINC000451670525 534575731 /nfs/dbraw/zinc/57/57/31/534575731.db2.gz DDSSSNGAGHUPHX-KGLIPLIRSA-N 0 3 315.335 3.451 20 30 DGEDHN CN(C)CCOc1cccc(NCc2ccc(C#N)s2)c1 ZINC000157512931 521801810 /nfs/dbraw/zinc/80/18/10/521801810.db2.gz UGDCZFQTYFGOBC-UHFFFAOYSA-N 0 3 301.415 3.172 20 30 DGEDHN C=CCC1(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)CCCC1 ZINC000459058377 534597612 /nfs/dbraw/zinc/59/76/12/534597612.db2.gz ZULLYJAGNQNASP-INIZCTEOSA-N 0 3 321.509 3.495 20 30 DGEDHN Cc1cccc(C)c1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428770117 534666555 /nfs/dbraw/zinc/66/65/55/534666555.db2.gz DLCRMFQIFOKQNQ-KRWDZBQOSA-N 0 3 307.397 3.223 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000185837791 534748990 /nfs/dbraw/zinc/74/89/90/534748990.db2.gz HSHVCINCJWNZTN-JGGQBBKZSA-N 0 3 317.820 3.117 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000442791909 534755218 /nfs/dbraw/zinc/75/52/18/534755218.db2.gz ORGRJVKTIUVFIC-FUHWJXTLSA-N 0 3 311.429 3.095 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N(C3CCC3)C3CCC3)C2=O)cc1 ZINC000429152173 534791431 /nfs/dbraw/zinc/79/14/31/534791431.db2.gz QVAAFMZPOAAZSN-IBGZPJMESA-N 0 3 323.440 3.461 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000339084256 534864118 /nfs/dbraw/zinc/86/41/18/534864118.db2.gz IXTOCWZZJQKFKF-BIMULSAOSA-N 0 3 314.355 3.405 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355408820 526308271 /nfs/dbraw/zinc/30/82/71/526308271.db2.gz KIEBCQCCSGUNOC-IRXDYDNUSA-N 0 3 300.446 3.117 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345762292 526362962 /nfs/dbraw/zinc/36/29/62/526362962.db2.gz WSUAXCVKFUTMPY-YOEHRIQHSA-N 0 3 319.424 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000171741310 526439793 /nfs/dbraw/zinc/43/97/93/526439793.db2.gz MNSCQOPFLUSDPC-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000178281913 526440296 /nfs/dbraw/zinc/44/02/96/526440296.db2.gz PXDBMBYNFJRHEJ-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000171717474 526443245 /nfs/dbraw/zinc/44/32/45/526443245.db2.gz AGABCFHWFAWRTM-IAGOWNOFSA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc3c4c(cccc42)CC3)CC1 ZINC000357589483 526447933 /nfs/dbraw/zinc/44/79/33/526447933.db2.gz PBCCGCZAEHZFGP-UHFFFAOYSA-N 0 3 320.436 3.319 20 30 DGEDHN C=CCN1CC[C@@H](N(C)CCc2cccc3ccccc32)C1=O ZINC000337137723 526469166 /nfs/dbraw/zinc/46/91/66/526469166.db2.gz OLRLXZNGGNWXHE-LJQANCHMSA-N 0 3 308.425 3.101 20 30 DGEDHN C=CCN1CC[C@@H](N(C2CC2)C2CC(c3ccccc3C)C2)C1=O ZINC000337176004 526473938 /nfs/dbraw/zinc/47/39/38/526473938.db2.gz JAFYJAWINSNZKL-OUNSHVDWSA-N 0 3 324.468 3.492 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2sc(CC)nc2C)CC1 ZINC000331201096 526576835 /nfs/dbraw/zinc/57/68/35/526576835.db2.gz QBKVFGKKMAMKMU-UHFFFAOYSA-N 0 3 322.478 3.380 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(CCOCC)CCCC2)CC1 ZINC000357159066 526580290 /nfs/dbraw/zinc/58/02/90/526580290.db2.gz YUABQRBUIAEYHP-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178536500 526595766 /nfs/dbraw/zinc/59/57/66/526595766.db2.gz WQXRXJUBWWWJKW-UHFFFAOYSA-N 0 3 312.417 3.029 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]cc2-c2ccccc2)CC1 ZINC000357590143 526599528 /nfs/dbraw/zinc/59/95/28/526599528.db2.gz QJICIYHTYORSCP-UHFFFAOYSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)CC)cc2)CC1 ZINC000348787020 526600560 /nfs/dbraw/zinc/60/05/60/526600560.db2.gz OMGQUPAQYKVMTA-UHFFFAOYSA-N 0 3 314.429 3.050 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2c(F)cccc2F)CCCC1 ZINC000159846310 526635708 /nfs/dbraw/zinc/63/57/08/526635708.db2.gz BDXFOHVEIBAEEC-ZDUSSCGKSA-N 0 3 322.399 3.057 20 30 DGEDHN C=C(C)COCCN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000338797702 526655962 /nfs/dbraw/zinc/65/59/62/526655962.db2.gz YDVGKBMBCXBNPE-QZTJIDSGSA-N 0 3 317.429 3.351 20 30 DGEDHN C=CCOCCCN1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000348050950 526758854 /nfs/dbraw/zinc/75/88/54/526758854.db2.gz QCTIJAOWLLLTSH-MSOLQXFVSA-N 0 3 302.462 3.174 20 30 DGEDHN C=CCOCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000339025190 526771411 /nfs/dbraw/zinc/77/14/11/526771411.db2.gz ZVCVMAVDKNOAFM-CQSZACIVSA-N 0 3 306.475 3.404 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2ccc(OC)cc2s1 ZINC000435742881 526849427 /nfs/dbraw/zinc/84/94/27/526849427.db2.gz XGBDGOILIJSDRN-YVEFUNNKSA-N 0 3 318.442 3.376 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@](C)(OC)C2)cc1OC ZINC000355224265 526867468 /nfs/dbraw/zinc/86/74/68/526867468.db2.gz RHFRWOVCJYQISB-GOSISDBHSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1Cl ZINC000346344318 526873807 /nfs/dbraw/zinc/87/38/07/526873807.db2.gz WHNCQFWMYHTVMB-OFQRWUPVSA-N 0 3 307.821 3.108 20 30 DGEDHN C=CCOc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000359099002 526882962 /nfs/dbraw/zinc/88/29/62/526882962.db2.gz OSLXEKPGSWXJLO-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000134622596 526890118 /nfs/dbraw/zinc/89/01/18/526890118.db2.gz IHHQUVDODNCDMQ-OFQRWUPVSA-N 0 3 307.821 3.406 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@](CO)(C(C)C)C2)c1 ZINC000354565837 526899804 /nfs/dbraw/zinc/89/98/04/526899804.db2.gz MAOILOSOCSORET-IBGZPJMESA-N 0 3 303.446 3.482 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000354025935 526901773 /nfs/dbraw/zinc/90/17/73/526901773.db2.gz LBZVRKUKATUZAZ-IBGZPJMESA-N 0 3 310.397 3.300 20 30 DGEDHN C=CCOc1cccc(CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000346815862 526905107 /nfs/dbraw/zinc/90/51/07/526905107.db2.gz BDGLCHDPYJMOGW-SFHVURJKSA-N 0 3 315.388 3.084 20 30 DGEDHN C=CC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000338995596 526981699 /nfs/dbraw/zinc/98/16/99/526981699.db2.gz MWNCZYYUYOVMFX-KBXCAEBGSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000346322394 527008992 /nfs/dbraw/zinc/00/89/92/527008992.db2.gz ORJVDGDXBDGFSD-GOSISDBHSA-N 0 3 316.470 3.133 20 30 DGEDHN C=CC[C@@H](C)[C@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177968883 527034485 /nfs/dbraw/zinc/03/44/85/527034485.db2.gz YVYIUPADYMCHFA-OLZOCXBDSA-N 0 3 315.866 3.304 20 30 DGEDHN C=CCCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178252285 527101776 /nfs/dbraw/zinc/10/17/76/527101776.db2.gz PACKUPDYJRTUGG-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC2CCN(CC=C)CC2)CCCC1(C)C ZINC000445093474 527114774 /nfs/dbraw/zinc/11/47/74/527114774.db2.gz PKRHYSHJRGSVDC-KRWDZBQOSA-N 0 3 319.493 3.413 20 30 DGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158582384 527141796 /nfs/dbraw/zinc/14/17/96/527141796.db2.gz RAYYUHMFJOLTNT-JYJNAYRXSA-N 0 3 309.475 3.348 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347761584 527155371 /nfs/dbraw/zinc/15/53/71/527155371.db2.gz UCCHBHCVFYYEHC-ZWKOTPCHSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CCCCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000351712994 527156413 /nfs/dbraw/zinc/15/64/13/527156413.db2.gz RMEYGHQJWUWUJY-MRXNPFEDSA-N 0 3 303.450 3.162 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000341892984 527188731 /nfs/dbraw/zinc/18/87/31/527188731.db2.gz XLNHCWONVIDTNW-WFASDCNBSA-N 0 3 317.351 3.167 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000341892983 527190771 /nfs/dbraw/zinc/19/07/71/527190771.db2.gz XLNHCWONVIDTNW-SWLSCSKDSA-N 0 3 317.351 3.167 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000302160030 527230959 /nfs/dbraw/zinc/23/09/59/527230959.db2.gz XVFADYRZJHFNIA-VQIMIIECSA-N 0 3 323.440 3.214 20 30 DGEDHN C=CCCCN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429036192 527235898 /nfs/dbraw/zinc/23/58/98/527235898.db2.gz PBQSZPKWHXUKKC-ZDUSSCGKSA-N 0 3 302.187 3.177 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC(C)=C[C@@H](C)C1 ZINC000430289254 527260237 /nfs/dbraw/zinc/26/02/37/527260237.db2.gz MAEKSMOEQSPBEK-QAPCUYQASA-N 0 3 301.430 3.053 20 30 DGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1nccs1 ZINC000433339782 527279713 /nfs/dbraw/zinc/27/97/13/527279713.db2.gz BXYZWOPDWZSIFE-CQSZACIVSA-N 0 3 313.426 3.267 20 30 DGEDHN C=CCCN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000355064531 527315076 /nfs/dbraw/zinc/31/50/76/527315076.db2.gz YKXOWQFWAUFZOH-INIZCTEOSA-N 0 3 322.399 3.178 20 30 DGEDHN C=C[C@@H](CO)N[C@H]1CCc2c1cc(Br)cc2Cl ZINC000289726527 527444896 /nfs/dbraw/zinc/44/48/96/527444896.db2.gz JWXHIRHYLXSIIR-ZANVPECISA-N 0 3 316.626 3.226 20 30 DGEDHN C=CCC[C@H](NC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000435088215 527478769 /nfs/dbraw/zinc/47/87/69/527478769.db2.gz SHLZVRGHTGNOHG-SFHVURJKSA-N 0 3 315.461 3.479 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000337601435 527509255 /nfs/dbraw/zinc/50/92/55/527509255.db2.gz NFNCNEGLCHXZAZ-GOEBONIOSA-N 0 3 301.434 3.409 20 30 DGEDHN C=CCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)C1CC1 ZINC000357535019 527538619 /nfs/dbraw/zinc/53/86/19/527538619.db2.gz FGRSFZRYAYCOIO-ZFWWWQNUSA-N 0 3 305.422 3.069 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nc(C(F)(F)F)cs1 ZINC000429715866 527572424 /nfs/dbraw/zinc/57/24/24/527572424.db2.gz OEOPAXZVJRSERN-UHFFFAOYSA-N 0 3 307.385 3.102 20 30 DGEDHN C=CCN(C)CCN(CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429726893 527573078 /nfs/dbraw/zinc/57/30/78/527573078.db2.gz VSXASPBHSYNVQZ-UHFFFAOYSA-N 0 3 324.390 3.497 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000356246046 527575275 /nfs/dbraw/zinc/57/52/75/527575275.db2.gz UVEOZUGRWJLXPH-YLJYHZDGSA-N 0 3 312.457 3.291 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434895980 527635796 /nfs/dbraw/zinc/63/57/96/527635796.db2.gz OFMUQBJXBCMSHF-JENIJYKNSA-N 0 3 312.457 3.454 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccncc1F)C(C)C ZINC000184199512 527649901 /nfs/dbraw/zinc/64/99/01/527649901.db2.gz YTHDIDJQOGNDHV-MRXNPFEDSA-N 0 3 320.412 3.041 20 30 DGEDHN CC(C)CN(CC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000299402540 527923707 /nfs/dbraw/zinc/92/37/07/527923707.db2.gz MKZKTBOKJWVYBL-UHFFFAOYSA-N 0 3 305.447 3.459 20 30 DGEDHN CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)s1 ZINC000330926853 528013677 /nfs/dbraw/zinc/01/36/77/528013677.db2.gz XMTJNSAMMOSZPX-IJLUTSLNSA-N 0 3 311.451 3.028 20 30 DGEDHN CC1([C@@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)OCCO1 ZINC000183890915 528052295 /nfs/dbraw/zinc/05/22/95/528052295.db2.gz DDCLUAFHFSFJJS-MRXNPFEDSA-N 0 3 319.832 3.167 20 30 DGEDHN CC1([C@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)OCCO1 ZINC000183890931 528057233 /nfs/dbraw/zinc/05/72/33/528057233.db2.gz DDCLUAFHFSFJJS-INIZCTEOSA-N 0 3 319.832 3.167 20 30 DGEDHN CCCN(Cc1ccccc1Br)C(=O)C(C)C#N ZINC000347063806 528147183 /nfs/dbraw/zinc/14/71/83/528147183.db2.gz HPKNJYDREBDNDP-NSHDSACASA-N 0 3 309.207 3.347 20 30 DGEDHN CC(C)Oc1ccc(CNC(=O)C(C)C#N)c(C(F)(F)F)c1 ZINC000345771276 528159947 /nfs/dbraw/zinc/15/99/47/528159947.db2.gz FYVHLWKVAUADTB-SNVBAGLBSA-N 0 3 314.307 3.268 20 30 DGEDHN CC1CCN(c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000185782936 528266851 /nfs/dbraw/zinc/26/68/51/528266851.db2.gz MBNCNBKIYLJJFO-AEFFLSMTSA-N 0 3 312.461 3.490 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)NCCCCC#N)c1ccsc1 ZINC000171735161 528275053 /nfs/dbraw/zinc/27/50/53/528275053.db2.gz DGNOGXRZSKPDJF-OAHLLOKOSA-N 0 3 322.478 3.124 20 30 DGEDHN CCOc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000349827638 528281420 /nfs/dbraw/zinc/28/14/20/528281420.db2.gz KAQQSTCBQZENAH-DGCLKSJQSA-N 0 3 310.344 3.469 20 30 DGEDHN CCC[C@H]1CN(CCCCC(C)(C)C#N)CCN1CCOC ZINC000444685637 528399519 /nfs/dbraw/zinc/39/95/19/528399519.db2.gz AVNMWLWVTYJIEO-KRWDZBQOSA-N 0 3 309.498 3.139 20 30 DGEDHN CCC[C@H]1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000301998913 528402354 /nfs/dbraw/zinc/40/23/54/528402354.db2.gz IKVCWJHFPHGWNB-FQEVSTJZSA-N 0 3 320.440 3.444 20 30 DGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CC(C)(C)C#N ZINC000356120335 528438056 /nfs/dbraw/zinc/43/80/56/528438056.db2.gz KJPOUSKBHHHPSN-QGZVFWFLSA-N 0 3 315.461 3.199 20 30 DGEDHN CCC(CC)N(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000344032124 528775120 /nfs/dbraw/zinc/77/51/20/528775120.db2.gz PLKQUTWTHPBMTM-UHFFFAOYSA-N 0 3 301.434 3.444 20 30 DGEDHN CC(C)N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccco1 ZINC000434827186 528878932 /nfs/dbraw/zinc/87/89/32/528878932.db2.gz ISUSSYKKCKSKRJ-UHFFFAOYSA-N 0 3 311.385 3.390 20 30 DGEDHN CC(C)N(CCCSCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000173872497 528885962 /nfs/dbraw/zinc/88/59/62/528885962.db2.gz WKXJYUWZAHXOKN-UHFFFAOYSA-N 0 3 307.419 3.452 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC000331007269 528996976 /nfs/dbraw/zinc/99/69/76/528996976.db2.gz TWBIQOXUXUIXKL-OAHLLOKOSA-N 0 3 305.422 3.048 20 30 DGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cc2OC)C[C@H]1OC ZINC000429284167 529108941 /nfs/dbraw/zinc/10/89/41/529108941.db2.gz JJBHSYICZHHULA-IAGOWNOFSA-N 0 3 302.418 3.250 20 30 DGEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000317982837 529116706 /nfs/dbraw/zinc/11/67/06/529116706.db2.gz QMZOVSFEJVYUBB-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429775172 529234845 /nfs/dbraw/zinc/23/48/45/529234845.db2.gz OONBYGKUFJPBJP-XHDPSFHLSA-N 0 3 305.809 3.318 20 30 DGEDHN CCSc1nnc(NC(=O)C2CCN(C3CC3)CC2)s1 ZINC000328694743 529264529 /nfs/dbraw/zinc/26/45/29/529264529.db2.gz KDACEVZHWGDKJX-UHFFFAOYSA-N 0 3 312.464 3.113 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451501991 536646325 /nfs/dbraw/zinc/64/63/25/536646325.db2.gz PEIDGOGNSJXNQO-DLBZAZTESA-N 0 3 302.418 3.249 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](CO)CC(C)C)ccc1OC ZINC000057966661 545702264 /nfs/dbraw/zinc/70/22/64/545702264.db2.gz XWZUHPDQYVFTNV-MRXNPFEDSA-N 0 3 307.434 3.147 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)c(C)cc2F)CC1 ZINC000134292371 545971346 /nfs/dbraw/zinc/97/13/46/545971346.db2.gz GFXFWVFBILCAGH-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1sccc1Br ZINC000381199250 546739498 /nfs/dbraw/zinc/73/94/98/546739498.db2.gz BVDOUOUSSVASEH-ZJUUUORDSA-N 0 3 304.253 3.346 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000381095033 546737865 /nfs/dbraw/zinc/73/78/65/546737865.db2.gz XYYUEPJDSLOSKP-NVXWUHKLSA-N 0 3 313.445 3.096 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000381095020 546737909 /nfs/dbraw/zinc/73/79/09/546737909.db2.gz XYYUEPJDSLOSKP-DOTOQJQBSA-N 0 3 313.445 3.096 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)ccc1OC ZINC000668737717 547525362 /nfs/dbraw/zinc/52/53/62/547525362.db2.gz BMWLWMZYJZFOQL-BEFAXECRSA-N 0 3 319.445 3.100 20 30 DGEDHN Fc1ccc(C#CCN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000676557048 548380807 /nfs/dbraw/zinc/38/08/07/548380807.db2.gz FFRZKZDKKOUOCG-RTBURBONSA-N 0 3 320.411 3.245 20 30 DGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000677048028 548442825 /nfs/dbraw/zinc/44/28/25/548442825.db2.gz NPPOSIXXEOQOFK-CYBMUJFWSA-N 0 3 315.360 3.056 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000678050007 548600882 /nfs/dbraw/zinc/60/08/82/548600882.db2.gz SMFHRIWWIJPIEM-HOCLYGCPSA-N 0 3 309.837 3.368 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000678050000 548600942 /nfs/dbraw/zinc/60/09/42/548600942.db2.gz SGRUHYOAUZODPG-ZFWWWQNUSA-N 0 3 306.475 3.138 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000678752051 548756852 /nfs/dbraw/zinc/75/68/52/548756852.db2.gz PABRHKPWZDHPMH-GOEBONIOSA-N 0 3 307.434 3.318 20 30 DGEDHN C=CCOc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000680332731 549030732 /nfs/dbraw/zinc/03/07/32/549030732.db2.gz AOIQSYLKHIYWBG-GOSISDBHSA-N 0 3 301.430 3.500 20 30 DGEDHN C=CCOCCNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000680476792 549058332 /nfs/dbraw/zinc/05/83/32/549058332.db2.gz HWPOUHYUVGMVJX-UHFFFAOYSA-N 0 3 307.287 3.059 20 30 DGEDHN CN(C)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)ccn1 ZINC000681352580 549195215 /nfs/dbraw/zinc/19/52/15/549195215.db2.gz WEWSPMSUFJARMS-OAHLLOKOSA-N 0 3 316.364 3.186 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000681726636 549246911 /nfs/dbraw/zinc/24/69/11/549246911.db2.gz FIHOBVCEDVEXPY-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000684115662 549581411 /nfs/dbraw/zinc/58/14/11/549581411.db2.gz QJFRXEKGKWNWDA-SFHVURJKSA-N 0 3 315.461 3.164 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@@H](C)N(C)Cc1ccccc1 ZINC000731936835 574563135 /nfs/dbraw/zinc/56/31/35/574563135.db2.gz AQEONJSQWSCMCR-OOWUWCJESA-N 0 3 312.413 3.340 20 30 DGEDHN CC[C@H](C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732205290 574568086 /nfs/dbraw/zinc/56/80/86/574568086.db2.gz FCAHUAQTGZCDJE-STQMWFEESA-N 0 3 315.442 3.450 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=S)NC[C@@H]1CCCN1CC ZINC000732624454 574576983 /nfs/dbraw/zinc/57/69/83/574576983.db2.gz AJGRNCUXIXXCJE-KRWDZBQOSA-N 0 3 323.550 3.414 20 30 DGEDHN C#CCOc1ccc(CNC[C@H](O)c2cccc(Cl)c2)cc1 ZINC000733325223 574615825 /nfs/dbraw/zinc/61/58/25/574615825.db2.gz FJPNUHBGBLRJQH-SFHVURJKSA-N 0 3 315.800 3.175 20 30 DGEDHN CC#CCN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000741777818 574639510 /nfs/dbraw/zinc/63/95/10/574639510.db2.gz LHRBJNICPRBOSE-JKSUJKDBSA-N 0 3 306.450 3.264 20 30 DGEDHN C=C(C)CNC(=S)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000734762697 574674469 /nfs/dbraw/zinc/67/44/69/574674469.db2.gz IAWHIEROHWVDSX-HNNXBMFYSA-N 0 3 317.502 3.252 20 30 DGEDHN N=C(N)NN=C(CCc1ccccc1Cl)c1ccccc1 ZINC000735609032 574708928 /nfs/dbraw/zinc/70/89/28/574708928.db2.gz LHHTVXKWUOJBIH-UHFFFAOYSA-N 0 3 300.793 3.160 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc2occc2s1 ZINC000737316078 574837706 /nfs/dbraw/zinc/83/77/06/574837706.db2.gz DNQJTBQOPSICGL-LLVKDONJSA-N 0 3 310.334 3.455 20 30 DGEDHN C=CC[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccncc1 ZINC000741286664 574955067 /nfs/dbraw/zinc/95/50/67/574955067.db2.gz BXUHTYOFXZDKTR-GOSISDBHSA-N 0 3 309.413 3.190 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCCN(C(C)C)CC1 ZINC000741683044 574966727 /nfs/dbraw/zinc/96/67/27/574966727.db2.gz NAUMOZASCPZPFE-UHFFFAOYSA-N 0 3 312.498 3.306 20 30 DGEDHN C#CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CCCCC1 ZINC000741782977 574970387 /nfs/dbraw/zinc/97/03/87/574970387.db2.gz ZSSZTVHHAMMWSY-GOSISDBHSA-N 0 3 312.413 3.280 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000742179783 574983838 /nfs/dbraw/zinc/98/38/38/574983838.db2.gz LKBXEANVLSWBTO-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN CCN(CCOc1ccc(C#N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743865795 575066674 /nfs/dbraw/zinc/06/66/74/575066674.db2.gz CWDLXEMGVAKYOJ-FQEVSTJZSA-N 0 3 324.424 3.301 20 30 DGEDHN CC(C)[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCS1 ZINC000743869297 575066858 /nfs/dbraw/zinc/06/68/58/575066858.db2.gz OBXWSCIXQGRWHW-KRWDZBQOSA-N 0 3 304.459 3.401 20 30 DGEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000728930745 575195777 /nfs/dbraw/zinc/19/57/77/575195777.db2.gz FCPZSSNNVIIHOP-CYBMUJFWSA-N 0 3 313.426 3.347 20 30 DGEDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(OCC#N)cc1 ZINC000729686077 575260277 /nfs/dbraw/zinc/26/02/77/575260277.db2.gz WSCSGXDQXRNELP-AWEZNQCLSA-N 0 3 308.381 3.375 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2cc(C)ccc2F)CC1 ZINC000729941811 575267732 /nfs/dbraw/zinc/26/77/32/575267732.db2.gz DDVMGSNLOQKEKF-UHFFFAOYSA-N 0 3 321.465 3.461 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C2CCCCCCC2)CC1 ZINC000730125343 575275415 /nfs/dbraw/zinc/27/54/15/575275415.db2.gz TWMDRNYSRCYEEK-UHFFFAOYSA-N 0 3 307.482 3.391 20 30 DGEDHN C#CCN(C[C@H](O)COc1cccc(C)c1)C1CCCCC1 ZINC000744739239 575353522 /nfs/dbraw/zinc/35/35/22/575353522.db2.gz ORFRTSWMZDBGIV-SFHVURJKSA-N 0 3 301.430 3.003 20 30 DGEDHN CC(=NN=C1CCN(Cc2ccccc2)[C@H](C)C1)c1cnccn1 ZINC000745203546 575384379 /nfs/dbraw/zinc/38/43/79/575384379.db2.gz JMOOCWSXGGFYTB-OAHLLOKOSA-N 0 3 321.428 3.326 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)C#Cc1ccccc1 ZINC000747213169 575506258 /nfs/dbraw/zinc/50/62/58/575506258.db2.gz MUKPEORGXXUPKW-UHFFFAOYSA-N 0 3 312.457 3.009 20 30 DGEDHN C#CCCN1CCC(NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000747405117 575516223 /nfs/dbraw/zinc/51/62/23/575516223.db2.gz UPTDPFUXAHCRCQ-UHFFFAOYSA-N 0 3 324.468 3.102 20 30 DGEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)cc1C ZINC000747787384 575542071 /nfs/dbraw/zinc/54/20/71/575542071.db2.gz LXODKSXCSRRTHD-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN N#Cc1csc(CNC[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000748099467 575560957 /nfs/dbraw/zinc/56/09/57/575560957.db2.gz MYTNAGMMEDLPCH-CYBMUJFWSA-N 0 3 310.781 3.235 20 30 DGEDHN C#CCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000748247652 575575149 /nfs/dbraw/zinc/57/51/49/575575149.db2.gz WCLARWJRRGKBJU-GOSISDBHSA-N 0 3 311.429 3.309 20 30 DGEDHN C#CCOc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000749247383 575638848 /nfs/dbraw/zinc/63/88/48/575638848.db2.gz NTTLOAJEWRYFQY-SFHVURJKSA-N 0 3 312.413 3.044 20 30 DGEDHN COCCCN1CCC(Nc2nc3ccccc3cc2C#N)CC1 ZINC000750026658 575698600 /nfs/dbraw/zinc/69/86/00/575698600.db2.gz ITWMPHPWKXUMSW-UHFFFAOYSA-N 0 3 324.428 3.019 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H]2COC)c1[O-] ZINC000751953026 575814240 /nfs/dbraw/zinc/81/42/40/575814240.db2.gz ZVZMCEOSDAVMDJ-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2COC)c1[O-] ZINC000751953026 575814241 /nfs/dbraw/zinc/81/42/41/575814241.db2.gz ZVZMCEOSDAVMDJ-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000726461273 576025032 /nfs/dbraw/zinc/02/50/32/576025032.db2.gz YTHPYWHNQGKUGC-HUUCEWRRSA-N 0 3 315.486 3.075 20 30 DGEDHN N#CCCCCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000726596601 576032668 /nfs/dbraw/zinc/03/26/68/576032668.db2.gz OAJWPWTZUKHPCX-UHFFFAOYSA-N 0 3 308.429 3.046 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCCN2CCc3ccccc32)cc1 ZINC000728711432 576197409 /nfs/dbraw/zinc/19/74/09/576197409.db2.gz ABQWKSGCJNSSCY-MRXNPFEDSA-N 0 3 321.424 3.130 20 30 DGEDHN C[C@]1(C#N)CCN(CCCCCCN2CC[C@](C)(C#N)C2)C1 ZINC000852686069 620641243 /nfs/dbraw/zinc/64/12/43/620641243.db2.gz FEXVPKMHZWQCEX-QZTJIDSGSA-N 0 3 302.466 3.018 20 30 DGEDHN CC(C)COCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910858 620650134 /nfs/dbraw/zinc/65/01/34/620650134.db2.gz JIMMYVROTOZGKC-LBPRGKRZSA-N 0 3 322.792 3.050 20 30 DGEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910106 620650139 /nfs/dbraw/zinc/65/01/39/620650139.db2.gz QLAUDKGMWUJJAL-LLVKDONJSA-N 0 3 302.717 3.203 20 30 DGEDHN C#CCN(C[C@H](O)c1ccccc1F)[C@H]1CCc2ccccc21 ZINC000917117425 620657132 /nfs/dbraw/zinc/65/71/32/620657132.db2.gz KEUFGBQHOFNBQM-PMACEKPBSA-N 0 3 309.384 3.482 20 30 DGEDHN C#CCN(C[C@@H](O)c1cccc(F)c1)[C@H]1CCc2ccccc21 ZINC000917119135 620657144 /nfs/dbraw/zinc/65/71/44/620657144.db2.gz UFUZRDZMFUIOBF-VQTJNVASSA-N 0 3 309.384 3.482 20 30 DGEDHN C#CCN(C[C@H](O)c1cccc(F)c1)[C@@H]1CCc2ccccc21 ZINC000917119134 620657154 /nfs/dbraw/zinc/65/71/54/620657154.db2.gz UFUZRDZMFUIOBF-UXHICEINSA-N 0 3 309.384 3.482 20 30 DGEDHN C#C[C@H](/N=C/c1ccc(N(CC)CC)cc1O)C1CCOCC1 ZINC000852999172 620658918 /nfs/dbraw/zinc/65/89/18/620658918.db2.gz XPYLXPUNUPATGM-OFBHVFLISA-N 0 3 314.429 3.086 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000918485167 620708468 /nfs/dbraw/zinc/70/84/68/620708468.db2.gz CKWCXEGDZIDKGB-XJKSGUPXSA-N 0 3 318.392 3.335 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000918485165 620708767 /nfs/dbraw/zinc/70/87/67/620708767.db2.gz CKWCXEGDZIDKGB-CJNGLKHVSA-N 0 3 318.392 3.335 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000889489329 617859299 /nfs/dbraw/zinc/85/92/99/617859299.db2.gz FNFNJQPVNOHPIC-UHFFFAOYSA-N 0 3 324.468 3.303 20 30 DGEDHN CC1(C)Cc2n[nH]cc2CN(CCCOc2ccc(C#N)cc2)C1 ZINC000854056963 620765781 /nfs/dbraw/zinc/76/57/81/620765781.db2.gz YZSLIWGZJGPDGI-UHFFFAOYSA-N 0 3 324.428 3.135 20 30 DGEDHN CCn1ccnc1[C@H](N[C@@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000926414463 618005223 /nfs/dbraw/zinc/00/52/23/618005223.db2.gz ZIGSRUXNXHBPKY-GOEBONIOSA-N 0 3 318.465 3.289 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892419634 618062227 /nfs/dbraw/zinc/06/22/27/618062227.db2.gz GHQDGXZYNBYJMZ-KGLIPLIRSA-N 0 3 323.396 3.099 20 30 DGEDHN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)C(=O)N1CCCC1 ZINC000892457363 618070432 /nfs/dbraw/zinc/07/04/32/618070432.db2.gz GZKKUWOACCXTFV-GOSISDBHSA-N 0 3 324.424 3.218 20 30 DGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000892497319 618082529 /nfs/dbraw/zinc/08/25/29/618082529.db2.gz QKXYBTHSIYSPGP-ZDUSSCGKSA-N 0 3 314.385 3.335 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CC(C)(C)CO3)nc21 ZINC000892706250 618143947 /nfs/dbraw/zinc/14/39/47/618143947.db2.gz UDKKLPRJRVUMPU-OLZOCXBDSA-N 0 3 311.385 3.253 20 30 DGEDHN CN(Cc1csc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000894783895 618457512 /nfs/dbraw/zinc/45/75/12/618457512.db2.gz FHHJXMDNOZIOLX-UHFFFAOYSA-N 0 3 317.380 3.078 20 30 DGEDHN C#Cc1ccc(CNCc2ccccc2N2CCO[C@@H](C)C2)cc1 ZINC000894872131 618484499 /nfs/dbraw/zinc/48/44/99/618484499.db2.gz FOKVBFNJRKRRHM-KRWDZBQOSA-N 0 3 320.436 3.183 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cn2ccnc2s1 ZINC000894964690 618504124 /nfs/dbraw/zinc/50/41/24/618504124.db2.gz VPEODKNRIYXEJK-INIZCTEOSA-N 0 3 308.410 3.435 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cn2ccnc2s1 ZINC000894964691 618504153 /nfs/dbraw/zinc/50/41/53/618504153.db2.gz VPEODKNRIYXEJK-MRXNPFEDSA-N 0 3 308.410 3.435 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CCCN1[O-] ZINC000895157696 618557658 /nfs/dbraw/zinc/55/76/58/618557658.db2.gz DRAKJLMSCCGNBO-JKSUJKDBSA-N 0 3 320.820 3.246 20 30 DGEDHN CC(C)(N[C@H]1CCC2(C[C@H]1F)OCCO2)c1cccc(C#N)c1 ZINC000895330652 618597408 /nfs/dbraw/zinc/59/74/08/618597408.db2.gz VIMZZXOVBPXLQJ-CVEARBPZSA-N 0 3 318.392 3.017 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000893558975 618603073 /nfs/dbraw/zinc/60/30/73/618603073.db2.gz SQUCAHGAWQKWGE-SMDDNHRTSA-N 0 3 307.825 3.174 20 30 DGEDHN CN(Cc1ccccc1)C[C@@H](OC(=O)c1ccc(C#N)o1)C1CC1 ZINC000893697688 618641800 /nfs/dbraw/zinc/64/18/00/618641800.db2.gz RYEJLZKBUAKWSU-GOSISDBHSA-N 0 3 324.380 3.219 20 30 DGEDHN N#CCOc1ccc(CNCc2cccc3c2NCCC3)cc1 ZINC000894246561 618738609 /nfs/dbraw/zinc/73/86/09/618738609.db2.gz LIVYSYPIXKFWGI-UHFFFAOYSA-N 0 3 307.397 3.237 20 30 DGEDHN C#CC1(O)CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000895379137 618776052 /nfs/dbraw/zinc/77/60/52/618776052.db2.gz KZZMSUKUXBVWLK-UHFFFAOYSA-N 0 3 321.420 3.226 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000895674615 618814754 /nfs/dbraw/zinc/81/47/54/618814754.db2.gz AIULNFKRRROZGG-UHFFFAOYSA-N 0 3 313.372 3.436 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(OCCCC)cc2)CC1 ZINC000895675472 618814772 /nfs/dbraw/zinc/81/47/72/618814772.db2.gz QIRSCXYOWHRZOH-UHFFFAOYSA-N 0 3 301.430 3.216 20 30 DGEDHN C#CCC1(O)CCN(Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000895675991 618814962 /nfs/dbraw/zinc/81/49/62/618814962.db2.gz XNPRCYOXMQERTJ-UHFFFAOYSA-N 0 3 323.383 3.255 20 30 DGEDHN C[C@@]1(Br)C[C@H]1CN1CCc2c(CC#N)cccc2C1 ZINC000895667447 618815327 /nfs/dbraw/zinc/81/53/27/618815327.db2.gz NZIRLJWCVPWSJF-GOEBONIOSA-N 0 3 319.246 3.284 20 30 DGEDHN N#Cc1cc(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)cs1 ZINC000896217243 618887746 /nfs/dbraw/zinc/88/77/46/618887746.db2.gz KPHSJHASYZHLFB-AEFFLSMTSA-N 0 3 310.422 3.020 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](C3OCCO3)C2)cc1Cl ZINC000896385393 618906108 /nfs/dbraw/zinc/90/61/08/618906108.db2.gz SIIZMANLCIFACW-CQSZACIVSA-N 0 3 323.820 3.100 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@@H](c2ccn(C)n2)C1 ZINC000896496741 618920667 /nfs/dbraw/zinc/92/06/67/618920667.db2.gz YVXRIIDXISJYEZ-MRXNPFEDSA-N 0 3 311.429 3.365 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000897330919 619060170 /nfs/dbraw/zinc/06/01/70/619060170.db2.gz JHIBBTHKQZTTHG-TYNCELHUSA-N 0 3 312.335 3.411 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000897330918 619060177 /nfs/dbraw/zinc/06/01/77/619060177.db2.gz JHIBBTHKQZTTHG-LALPHHSUSA-N 0 3 312.335 3.411 20 30 DGEDHN N#Cc1csc(CN[C@@H]2CCC[C@H](C3CCOCC3)C2)n1 ZINC000897625548 619168554 /nfs/dbraw/zinc/16/85/54/619168554.db2.gz FDDPAGYYMRWAOQ-UONOGXRCSA-N 0 3 305.447 3.090 20 30 DGEDHN N#CC1(CCCCN2CCN(c3ccc(O)cc3)CC2)CCC1 ZINC000929153024 619228108 /nfs/dbraw/zinc/22/81/08/619228108.db2.gz MRLPKWSHHOUQHN-UHFFFAOYSA-N 0 3 313.445 3.378 20 30 DGEDHN C=CCN(C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)C(C)C ZINC000899146921 619313881 /nfs/dbraw/zinc/31/38/81/619313881.db2.gz DHVCDACQUFRHSL-KRWDZBQOSA-N 0 3 304.434 3.157 20 30 DGEDHN C#CCN(C(=S)Nc1ccccc1Cl)C1CCN(C)CC1 ZINC000899613478 619360389 /nfs/dbraw/zinc/36/03/89/619360389.db2.gz CKCHSTYXDNQZPI-UHFFFAOYSA-N 0 3 321.877 3.066 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC000901691570 619534282 /nfs/dbraw/zinc/53/42/82/619534282.db2.gz AEOBEGDEVFULKL-PVAVHDDUSA-N 0 3 308.466 3.039 20 30 DGEDHN C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1cc(C#N)ccn1 ZINC000902720754 619665970 /nfs/dbraw/zinc/66/59/70/619665970.db2.gz NVROBHXWBSBEPD-PBHICJAKSA-N 0 3 310.401 3.034 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902741291 619668440 /nfs/dbraw/zinc/66/84/40/619668440.db2.gz AEPDDWUCJXOGQG-APWZRJJASA-N 0 3 320.440 3.268 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1cccc(C#N)c1 ZINC000902771583 619673753 /nfs/dbraw/zinc/67/37/53/619673753.db2.gz IGKUHDAMOWFAJF-BEFAXECRSA-N 0 3 321.424 3.304 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902889261 619688910 /nfs/dbraw/zinc/68/89/10/619688910.db2.gz FYNCHYUVKWRLCA-POZUXBRTSA-N 0 3 306.413 3.049 20 30 DGEDHN C[C@H](NC[C@](C)(O)c1cccc(Cl)c1)c1cc(C#N)ccn1 ZINC000902954117 619696982 /nfs/dbraw/zinc/69/69/82/619696982.db2.gz QOWGXZKQCKDGIM-SJCJKPOMSA-N 0 3 315.804 3.165 20 30 DGEDHN CC(=O)OCc1cccc([C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000903066682 619709604 /nfs/dbraw/zinc/70/96/04/619709604.db2.gz NNZUHOMXTWFLLH-CQSZACIVSA-N 0 3 308.381 3.472 20 30 DGEDHN CC[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(C#N)c1 ZINC000903051304 619710997 /nfs/dbraw/zinc/71/09/97/619710997.db2.gz IISHDYNPEIOILL-XHSDSOJGSA-N 0 3 306.356 3.413 20 30 DGEDHN C[C@@H](NC[C@](C)(O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000903312018 619757959 /nfs/dbraw/zinc/75/79/59/619757959.db2.gz XFJGTKNZNWTOHH-XIKOKIGWSA-N 0 3 316.351 3.395 20 30 DGEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(C)c1OC(F)F ZINC000905079966 619967899 /nfs/dbraw/zinc/96/78/99/619967899.db2.gz HZXRIDHEGYTLLZ-OGGBREFQSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C/c2cccc(OC3CCCC3)c2)C(=O)c2ncnn21 ZINC000905081998 619968289 /nfs/dbraw/zinc/96/82/89/619968289.db2.gz VAYLJEVBJSRBSN-KPENOIPVSA-N 0 3 309.369 3.440 20 30 DGEDHN CC(C)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1[N+](=O)[O-] ZINC000905081118 619968294 /nfs/dbraw/zinc/96/82/94/619968294.db2.gz PFEZOKJJEMPREC-YRVKEHPISA-N 0 3 312.329 3.151 20 30 DGEDHN COCc1c(C)cc(C)c(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905084665 619968784 /nfs/dbraw/zinc/96/87/84/619968784.db2.gz KBPRSFYSPCXAHZ-BKNIFWKGSA-N 0 3 311.385 3.191 20 30 DGEDHN Cc1cc(C(=O)N(CCN(C)C)C2CCCC2)cc(C)c1C#N ZINC000906673345 620112782 /nfs/dbraw/zinc/11/27/82/620112782.db2.gz LIQAPPKLBNAKCF-UHFFFAOYSA-N 0 3 313.445 3.122 20 30 DGEDHN CCN1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000910274434 620282799 /nfs/dbraw/zinc/28/27/99/620282799.db2.gz OKOGJAWQTDLWJS-OAHLLOKOSA-N 0 3 313.445 3.044 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000912021389 620360447 /nfs/dbraw/zinc/36/04/47/620360447.db2.gz XIRROBDZXWNEOR-AWEZNQCLSA-N 0 3 314.351 3.048 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000912300498 620377576 /nfs/dbraw/zinc/37/75/76/620377576.db2.gz HHCDIAPQGRTRIS-HNNXBMFYSA-N 0 3 319.449 3.110 20 30 DGEDHN C#CCCOc1ccc(CNc2cc(CN(C)C)ccn2)cc1 ZINC000152694927 620518385 /nfs/dbraw/zinc/51/83/85/620518385.db2.gz PCSIPXULERLUCP-UHFFFAOYSA-N 0 3 309.413 3.157 20 30 DGEDHN CC(C)(C/N=C\c1cccc(O)c1O)N1CCc2ccccc2C1 ZINC000914557201 620541516 /nfs/dbraw/zinc/54/15/16/620541516.db2.gz CGQFBAODJVEPML-MTJSOVHGSA-N 0 3 324.424 3.354 20 30 DGEDHN CN(C)c1ccc(/C=C/C=NNCCC(=O)OC(C)(C)C)cc1 ZINC000834968930 620545908 /nfs/dbraw/zinc/54/59/08/620545908.db2.gz OTQAGRTWOCWFSY-MOSDXRNKSA-N 0 3 317.433 3.073 20 30 DGEDHN CN(C)c1ccc(/C=C\C=NN[C@H]2CCOC(C)(C)C2)cc1 ZINC000834971187 620546312 /nfs/dbraw/zinc/54/63/12/620546312.db2.gz BCLDQZNFLOYLRU-PBIVKUQOSA-N 0 3 301.434 3.299 20 30 DGEDHN CCOc1cccc(/C=N\[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000920944399 620828829 /nfs/dbraw/zinc/82/88/29/620828829.db2.gz DUDBUBGGXDQPDU-LZAZYHHXSA-N 0 3 324.424 3.484 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@H](c1ccc(C)cc1)N(C)C ZINC000921261428 620846088 /nfs/dbraw/zinc/84/60/88/620846088.db2.gz OYXZDQZZDNINDO-SYERDGIWSA-N 0 3 312.413 3.431 20 30 DGEDHN CC(C)OCCCNCc1cc(C#N)ccc1Br ZINC000921482689 620860566 /nfs/dbraw/zinc/86/05/66/620860566.db2.gz SMRJQFUXQVWGHV-UHFFFAOYSA-N 0 3 311.223 3.225 20 30 DGEDHN CC(C)(C)c1cn2c(n1)CC[C@H](NCc1csc(C#N)c1)C2 ZINC000921646583 620926893 /nfs/dbraw/zinc/92/68/93/620926893.db2.gz XNVKLLUMJIISGY-ZDUSSCGKSA-N 0 3 314.458 3.218 20 30 DGEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC000888400486 620954496 /nfs/dbraw/zinc/95/44/96/620954496.db2.gz ZQXSVHGRLXECBL-ZFWWWQNUSA-N 0 3 316.401 3.044 20 30 DGEDHN COc1cc(CNCc2ccc3c(c2)CCCO3)ccc1C#N ZINC000922139329 620993980 /nfs/dbraw/zinc/99/39/80/620993980.db2.gz BIRWXKJUTIOIRQ-UHFFFAOYSA-N 0 3 308.381 3.182 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2cnn(C)c2c1 ZINC000922141365 620994403 /nfs/dbraw/zinc/99/44/03/620994403.db2.gz QUISKVDTQWODFM-UHFFFAOYSA-N 0 3 304.397 3.352 20 30 DGEDHN COC1(CCNCc2cc(C#N)ccc2Br)CCC1 ZINC000922148813 620995457 /nfs/dbraw/zinc/99/54/57/620995457.db2.gz KEDMCRWZZAOOEW-UHFFFAOYSA-N 0 3 323.234 3.370 20 30 DGEDHN C[C@@H]1SCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922213915 621006920 /nfs/dbraw/zinc/00/69/20/621006920.db2.gz DMQBSSNMWQMQJI-TVQRCGJNSA-N 0 3 311.248 3.304 20 30 DGEDHN CS[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922311224 621021463 /nfs/dbraw/zinc/02/14/63/621021463.db2.gz YRCMWKGKWIDWNJ-HAQNSBGRSA-N 0 3 311.248 3.304 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000922988416 621144674 /nfs/dbraw/zinc/14/46/74/621144674.db2.gz PXKQVRCMXNJMSP-UXHICEINSA-N 0 3 309.409 3.389 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC000115902651 621157673 /nfs/dbraw/zinc/15/76/73/621157673.db2.gz XLERJKGEBHIKJD-NVXWUHKLSA-N 0 3 312.413 3.122 20 30 DGEDHN N#Cc1c(Cl)nsc1NC[C@H]1CCN1C1CCCCC1 ZINC000858681116 621214406 /nfs/dbraw/zinc/21/44/06/621214406.db2.gz DXJLPDXVSWCNNU-LLVKDONJSA-N 0 3 310.854 3.487 20 30 DGEDHN N#Cc1c(Cl)nsc1NC[C@@H]1CCN1C1CCCCC1 ZINC000858681131 621214517 /nfs/dbraw/zinc/21/45/17/621214517.db2.gz DXJLPDXVSWCNNU-NSHDSACASA-N 0 3 310.854 3.487 20 30 DGEDHN C=CCN1CCC(NC(=O)OCc2cccc(Cl)c2)CC1 ZINC000858949916 621233638 /nfs/dbraw/zinc/23/36/38/621233638.db2.gz CNKAYMOVDGGQNS-UHFFFAOYSA-N 0 3 308.809 3.217 20 30 DGEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1nc2ccccc2s1 ZINC000859248988 621264652 /nfs/dbraw/zinc/26/46/52/621264652.db2.gz OSRWJRZTSMBAHO-NWDGAFQWSA-N 0 3 301.415 3.002 20 30 DGEDHN CCN(CCNC(=O)OC(C)(C)C)[C@H](C)c1cccc(C#N)c1 ZINC000859533938 621288109 /nfs/dbraw/zinc/28/81/09/621288109.db2.gz YIUOISVGDAMQJB-CQSZACIVSA-N 0 3 317.433 3.466 20 30 DGEDHN C#CCC[C@H](C)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000839036063 621311913 /nfs/dbraw/zinc/31/19/13/621311913.db2.gz QGYSHWOEDWJTQL-SWLSCSKDSA-N 0 3 319.788 3.038 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(CC#N)cc1)NC(=O)OC(C)(C)C ZINC000860097420 621366039 /nfs/dbraw/zinc/36/60/39/621366039.db2.gz TYLJIMQHRISBSR-CQSZACIVSA-N 0 3 317.433 3.098 20 30 DGEDHN CCN(CCO)c1ccc(C=NOCc2ccccc2)c(C)c1 ZINC000839419906 621370484 /nfs/dbraw/zinc/37/04/84/621370484.db2.gz VARHAXKSTMOFOP-UHFFFAOYSA-N 0 3 312.413 3.364 20 30 DGEDHN N#CC1(CCN2CCC[C@H](N3CCCCC3=O)C2)CCCCC1 ZINC000839491692 621380266 /nfs/dbraw/zinc/38/02/66/621380266.db2.gz ZDJFYARZWGAGIB-KRWDZBQOSA-N 0 3 317.477 3.327 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000860467022 621408023 /nfs/dbraw/zinc/40/80/23/621408023.db2.gz AMOJFWAITWZMFZ-UONOGXRCSA-N 0 3 322.792 3.193 20 30 DGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000860468374 621408526 /nfs/dbraw/zinc/40/85/26/621408526.db2.gz BRECTKFEQXIPQQ-RISCZKNCSA-N 0 3 322.792 3.193 20 30 DGEDHN C=C[C@H](CC(=O)OC[C@@H]1CCCN1CCOC)c1ccccc1 ZINC000861034815 621469419 /nfs/dbraw/zinc/46/94/19/621469419.db2.gz HWNBWQLHZCNVRW-AEFFLSMTSA-N 0 3 317.429 3.000 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCOC[C@H](C)C1 ZINC000753993027 621477039 /nfs/dbraw/zinc/47/70/39/621477039.db2.gz MZVIFVNDYHZMPH-CQSZACIVSA-N 0 3 317.458 3.240 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000754349150 621504597 /nfs/dbraw/zinc/50/45/97/621504597.db2.gz KOXSBQHCBVPXIJ-OAHLLOKOSA-N 0 3 309.413 3.333 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(F)c(C#N)c1 ZINC000754873188 621539472 /nfs/dbraw/zinc/53/94/72/621539472.db2.gz MMFWLQJSBJDZNF-UHFFFAOYSA-N 0 3 318.392 3.394 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCCO1 ZINC000756242760 621622526 /nfs/dbraw/zinc/62/25/26/621622526.db2.gz OHKTWPVSJFXLQD-MGPLVRAMSA-N 0 3 319.311 3.177 20 30 DGEDHN COc1cc(C(C)=NNc2ccnc(C)c2)ccc1OC(F)F ZINC000863158881 621643213 /nfs/dbraw/zinc/64/32/13/621643213.db2.gz VXHHTVGOESNMRJ-UHFFFAOYSA-N 0 3 321.327 3.258 20 30 DGEDHN CC(=NNCCCOCc1ccccc1)c1ccc(N)cc1C ZINC000863178587 621645189 /nfs/dbraw/zinc/64/51/89/621645189.db2.gz XIZLKJBLPIHUKH-UHFFFAOYSA-N 0 3 311.429 3.498 20 30 DGEDHN C=CCCCCCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000805104364 621671067 /nfs/dbraw/zinc/67/10/67/621671067.db2.gz PTFKWRSUMAMIOV-UHFFFAOYSA-N 0 3 324.490 3.163 20 30 DGEDHN C[C@@H](CCC#N)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839617930 621700904 /nfs/dbraw/zinc/70/09/04/621700904.db2.gz DZUIDKQYVMVWAD-YVEFUNNKSA-N 0 3 308.372 3.402 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(OCC(F)(F)F)nc1 ZINC000864088275 621735570 /nfs/dbraw/zinc/73/55/70/621735570.db2.gz ZYHGRJAUPNQJNK-LLVKDONJSA-N 0 3 315.339 3.441 20 30 DGEDHN CO[C@H](CNCc1cc(C#N)ccc1N(C)C)c1ccccc1 ZINC000865425840 621917972 /nfs/dbraw/zinc/91/79/72/621917972.db2.gz YAHAOGBHUIJMIJ-LJQANCHMSA-N 0 3 309.413 3.102 20 30 DGEDHN Cc1cc(CNCc2ccc(C3(C)OCCO3)cc2)ccc1C#N ZINC000865668061 621974564 /nfs/dbraw/zinc/97/45/64/621974564.db2.gz FBFMEBMLYBMIIG-UHFFFAOYSA-N 0 3 322.408 3.376 20 30 DGEDHN CCO[C@H](CC(=O)C(C#N)C(=O)Nc1cccc(C)c1)C(C)C ZINC000761037521 621980777 /nfs/dbraw/zinc/98/07/77/621980777.db2.gz HWWHVIWSHGEWTF-DOTOQJQBSA-N 0 3 316.401 3.094 20 30 DGEDHN C=CCC[C@@H](NC[C@@H]1CC2(CO1)CCOCC2)c1ccco1 ZINC000866533157 622133571 /nfs/dbraw/zinc/13/35/71/622133571.db2.gz OOGIWDPJVCRWTC-JKSUJKDBSA-N 0 3 305.418 3.462 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc(C4CCC4)no3)CC2)C1 ZINC000866582149 622141953 /nfs/dbraw/zinc/14/19/53/622141953.db2.gz MTPYDWCIZHGTMK-IUODEOHRSA-N 0 3 300.406 3.209 20 30 DGEDHN CC[C@H](C(=O)N(CCC#N)c1ccc(C)cc1)N(CC)CC ZINC000764033266 622175752 /nfs/dbraw/zinc/17/57/52/622175752.db2.gz WDDVNPINJJUDNN-QGZVFWFLSA-N 0 3 301.434 3.362 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(C)cc1 ZINC000121768728 622180698 /nfs/dbraw/zinc/18/06/98/622180698.db2.gz YMYMZIKPKRAKCB-ZBFHGGJFSA-N 0 3 300.402 3.112 20 30 DGEDHN COCCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000765016728 622240130 /nfs/dbraw/zinc/24/01/30/622240130.db2.gz YOXAETSPRCCQPC-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN N#CC(C(=O)CCc1cncc2ccccc21)c1ccccn1 ZINC000765586524 622275020 /nfs/dbraw/zinc/27/50/20/622275020.db2.gz IBCAULAGDIHSKK-QGZVFWFLSA-N 0 3 301.349 3.439 20 30 DGEDHN C#CCCCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000805310680 622283198 /nfs/dbraw/zinc/28/31/98/622283198.db2.gz UBCLJHQKHZYKBF-LJQANCHMSA-N 0 3 314.473 3.408 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913089 622293617 /nfs/dbraw/zinc/29/36/17/622293617.db2.gz RMJLHWQNUPIUAA-LEXSJLIMSA-N 0 3 316.364 3.464 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCCN(C)C2=O)cc1 ZINC000766436610 622329852 /nfs/dbraw/zinc/32/98/52/622329852.db2.gz JYKMGVRLGIUQBI-CZUORRHYSA-N 0 3 322.836 3.089 20 30 DGEDHN CC(C)[C@@H]1CC(=NNC2=N[C@@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000766453056 622331001 /nfs/dbraw/zinc/33/10/01/622331001.db2.gz MDAADNZODJYQBL-YESZJQIVSA-N 0 3 310.445 3.394 20 30 DGEDHN CC(C)[C@@H]1CC(=NNC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000766453055 622331139 /nfs/dbraw/zinc/33/11/39/622331139.db2.gz MDAADNZODJYQBL-ULQDDVLXSA-N 0 3 310.445 3.394 20 30 DGEDHN Cc1cc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1C#N ZINC000767692680 622416258 /nfs/dbraw/zinc/41/62/58/622416258.db2.gz JOEIIBCWUQUKEL-CQSZACIVSA-N 0 3 319.408 3.236 20 30 DGEDHN Cc1oc2ccccc2c1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000767955163 622429954 /nfs/dbraw/zinc/42/99/54/622429954.db2.gz DDWIGKQPHYNKJU-MRXNPFEDSA-N 0 3 324.380 3.051 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cccc2ccccc21 ZINC000870145004 622437033 /nfs/dbraw/zinc/43/70/33/622437033.db2.gz ITXIHXKZHAAUFA-KRWDZBQOSA-N 0 3 308.381 3.006 20 30 DGEDHN C=CCN(Cc1cnc2ccc(Br)cn12)C(C)C ZINC000768547786 622464466 /nfs/dbraw/zinc/46/44/66/622464466.db2.gz PANDCQBKOXHIHY-UHFFFAOYSA-N 0 3 308.223 3.493 20 30 DGEDHN N#Cc1ccc(C(=O)OC[C@H]2CCN2C2CCCCCC2)o1 ZINC000870731962 622503987 /nfs/dbraw/zinc/50/39/87/622503987.db2.gz CYQAUWPZPTVNCN-CQSZACIVSA-N 0 3 302.374 3.105 20 30 DGEDHN N#Cc1ccc(CNN=C2CCCC[C@H]2N2CCCCC2)cc1 ZINC000769816143 622563450 /nfs/dbraw/zinc/56/34/50/622563450.db2.gz SCXPRESYXXHCCK-LJQANCHMSA-N 0 3 310.445 3.432 20 30 DGEDHN CCC[C@@]1(CO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000769912860 622575074 /nfs/dbraw/zinc/57/50/74/622575074.db2.gz IPOFWGQAYLXEEA-KRWDZBQOSA-N 0 3 322.836 3.369 20 30 DGEDHN C#C[C@H](C)N(C)Cc1ccc(Br)c2cccnc12 ZINC000769963467 622582516 /nfs/dbraw/zinc/58/25/16/622582516.db2.gz UIMPGDLKQBPDOR-NSHDSACASA-N 0 3 303.203 3.451 20 30 DGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259401 622734626 /nfs/dbraw/zinc/73/46/26/622734626.db2.gz ZPNIKWFPINADFT-SCOBNMCVSA-N 0 3 312.760 3.032 20 30 DGEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000123980915 622855675 /nfs/dbraw/zinc/85/56/75/622855675.db2.gz YRMMPWPGHUHEQJ-PBHICJAKSA-N 0 3 312.413 3.256 20 30 DGEDHN COc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)cc1C#N ZINC000872262136 622871876 /nfs/dbraw/zinc/87/18/76/622871876.db2.gz QVGJAKJXWNTRRG-GOSISDBHSA-N 0 3 314.429 3.490 20 30 DGEDHN C=CCN1CCC(Nc2nc(Cl)nc3sccc32)CC1 ZINC000872446459 622916927 /nfs/dbraw/zinc/91/69/27/622916927.db2.gz HLLNAMFLTWZTCC-UHFFFAOYSA-N 0 3 308.838 3.407 20 30 DGEDHN COc1ccc(CN[C@@H]2CCCc3nc(C)sc32)cc1C#N ZINC000773074381 622977370 /nfs/dbraw/zinc/97/73/70/622977370.db2.gz FWOXEQOZFWLOCM-CQSZACIVSA-N 0 3 313.426 3.499 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000773231022 623001910 /nfs/dbraw/zinc/00/19/10/623001910.db2.gz GATQQUWXEGWLQQ-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773768980 623071641 /nfs/dbraw/zinc/07/16/41/623071641.db2.gz HMSRBENTRXEILI-DOMZBBRYSA-N 0 3 318.442 3.428 20 30 DGEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)sc1C ZINC000774042262 623101248 /nfs/dbraw/zinc/10/12/48/623101248.db2.gz FUNONHQUIYAGTP-CYBMUJFWSA-N 0 3 313.382 3.030 20 30 DGEDHN C[C@H](NC[C@H]1Cc2ccccc2CN1)c1ccc(C#N)cc1F ZINC000873294884 623107236 /nfs/dbraw/zinc/10/72/36/623107236.db2.gz VKYMEUNUEOKSPL-SUMWQHHRSA-N 0 3 309.388 3.062 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000873331525 623113887 /nfs/dbraw/zinc/11/38/87/623113887.db2.gz UHBUATXJZSCIRS-UHFFFAOYSA-N 0 3 317.433 3.283 20 30 DGEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000775227989 623243328 /nfs/dbraw/zinc/24/33/28/623243328.db2.gz RHKWXROTEMTCCZ-AWEZNQCLSA-N 0 3 316.744 3.132 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)COc1cc(C)ccc1C)c1ccccc1 ZINC000775398812 623267622 /nfs/dbraw/zinc/26/76/22/623267622.db2.gz BSIKEKDAIGTKHR-VQTJNVASSA-N 0 3 323.436 3.397 20 30 DGEDHN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776168273 623388618 /nfs/dbraw/zinc/38/86/18/623388618.db2.gz HYAJZNDMQBNVCR-CZUORRHYSA-N 0 3 316.426 3.343 20 30 DGEDHN C[C@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000776744601 623459141 /nfs/dbraw/zinc/45/91/41/623459141.db2.gz AOORNHGQUPLIAG-MGPLVRAMSA-N 0 3 320.314 3.360 20 30 DGEDHN Cc1ccnc(C2CCN(Cc3ccc(C#N)cc3C)CC2)n1 ZINC000776800139 623465216 /nfs/dbraw/zinc/46/52/16/623465216.db2.gz QERLDQTWJBEJRO-UHFFFAOYSA-N 0 3 306.413 3.345 20 30 DGEDHN C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cccc(C#N)c1 ZINC000777574928 623543162 /nfs/dbraw/zinc/54/31/62/623543162.db2.gz OOKGDPAYEJWCEX-CYBMUJFWSA-N 0 3 303.369 3.194 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCc1ccccn1 ZINC000778172956 623619625 /nfs/dbraw/zinc/61/96/25/623619625.db2.gz BVNDZRHGSJCABJ-UHFFFAOYSA-N 0 3 314.816 3.469 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000778176759 623620439 /nfs/dbraw/zinc/62/04/39/623620439.db2.gz MPAQBYWMTMYVMM-UONOGXRCSA-N 0 3 318.848 3.067 20 30 DGEDHN C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000876531909 623635656 /nfs/dbraw/zinc/63/56/56/623635656.db2.gz STGCVYBMMCPPKG-DOTOQJQBSA-N 0 3 302.418 3.313 20 30 DGEDHN C[C@@H](CCC#N)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000876531909 623635658 /nfs/dbraw/zinc/63/56/58/623635658.db2.gz STGCVYBMMCPPKG-DOTOQJQBSA-N 0 3 302.418 3.313 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000876555286 623642341 /nfs/dbraw/zinc/64/23/41/623642341.db2.gz SGGYOVLPGWDOLJ-LLVKDONJSA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876557341 623643367 /nfs/dbraw/zinc/64/33/67/623643367.db2.gz FLCAYMXOYIZBPG-BXKDBHETSA-N 0 3 320.742 3.353 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 ZINC000876583726 623651287 /nfs/dbraw/zinc/65/12/87/623651287.db2.gz OQAYTQWFISNFDR-ZJUUUORDSA-N 0 3 313.854 3.066 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000876586700 623652342 /nfs/dbraw/zinc/65/23/42/623652342.db2.gz KLSSYZZXHPGDCJ-STQMWFEESA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000876585906 623652451 /nfs/dbraw/zinc/65/24/51/623652451.db2.gz ZLVBJHHVFOWYDM-LLVKDONJSA-N 0 3 303.189 3.147 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000876590733 623653088 /nfs/dbraw/zinc/65/30/88/623653088.db2.gz ASJAGFAOJMXBRU-ZIAGYGMSSA-N 0 3 313.228 3.473 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000876596940 623655736 /nfs/dbraw/zinc/65/57/36/623655736.db2.gz ACBFKCFHOAIPFO-LLVKDONJSA-N 0 3 305.765 3.114 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000876611369 623659083 /nfs/dbraw/zinc/65/90/83/623659083.db2.gz XYBODEMRMXRLNN-RYUDHWBXSA-N 0 3 300.855 3.421 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000876610368 623659464 /nfs/dbraw/zinc/65/94/64/623659464.db2.gz BTVXARZKYOIYSR-AWEZNQCLSA-N 0 3 319.792 3.367 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000876616823 623661050 /nfs/dbraw/zinc/66/10/50/623661050.db2.gz BCKNFCFNFMOYGZ-BXKDBHETSA-N 0 3 320.742 3.353 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(OC(C)(C)C)CC1 ZINC000876635769 623665755 /nfs/dbraw/zinc/66/57/55/623665755.db2.gz IILWKUSAHSLORQ-UHFFFAOYSA-N 0 3 315.461 3.404 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(SCC)cc1 ZINC000876646746 623669204 /nfs/dbraw/zinc/66/92/04/623669204.db2.gz YOTBNSNWIFRXHO-FZMZJTMJSA-N 0 3 312.866 3.446 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1OC ZINC000876647884 623669356 /nfs/dbraw/zinc/66/93/56/623669356.db2.gz KJPSNSMHUJETSZ-LSDHHAIUSA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000876648210 623670494 /nfs/dbraw/zinc/67/04/94/623670494.db2.gz YAWSGFAPEIWGSB-CVEARBPZSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000876659063 623672946 /nfs/dbraw/zinc/67/29/46/623672946.db2.gz MJRQVBYQXMWGPV-OCCSQVGLSA-N 0 3 313.228 3.126 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000876662803 623674331 /nfs/dbraw/zinc/67/43/31/623674331.db2.gz ZTAXKNSBRYNBCZ-KBPBESRZSA-N 0 3 314.763 3.098 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000876671308 623676844 /nfs/dbraw/zinc/67/68/44/623676844.db2.gz AAMAURDVIYZYAQ-GFCCVEGCSA-N 0 3 301.217 3.161 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000876674846 623678684 /nfs/dbraw/zinc/67/86/84/623678684.db2.gz UUOBGHIKHCXVBE-YCPHGPKFSA-N 0 3 306.837 3.169 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000876699018 623685634 /nfs/dbraw/zinc/68/56/34/623685634.db2.gz OKEJYQBOMLWVJY-OIISXLGYSA-N 0 3 320.864 3.499 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000876699020 623686072 /nfs/dbraw/zinc/68/60/72/623686072.db2.gz OKEJYQBOMLWVJY-UAGQMJEPSA-N 0 3 320.864 3.499 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000876778800 623703376 /nfs/dbraw/zinc/70/33/76/623703376.db2.gz OQJLXDCDZPRZQM-AWEZNQCLSA-N 0 3 321.852 3.474 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)CSc1ccccc1 ZINC000876888026 623736911 /nfs/dbraw/zinc/73/69/11/623736911.db2.gz MLRLEYLQJNGPDX-OCCSQVGLSA-N 0 3 312.866 3.143 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cccc(Cl)c2)CCC1 ZINC000876940392 623750555 /nfs/dbraw/zinc/75/05/55/623750555.db2.gz UKSFLRRSYAAPBM-CYBMUJFWSA-N 0 3 313.228 3.305 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC000876944015 623750981 /nfs/dbraw/zinc/75/09/81/623750981.db2.gz ISZAWNNIHXYFSF-CYBMUJFWSA-N 0 3 313.228 3.305 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC000876944186 623751523 /nfs/dbraw/zinc/75/15/23/623751523.db2.gz ISZAWNNIHXYFSF-ZDUSSCGKSA-N 0 3 313.228 3.305 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000877042624 623774735 /nfs/dbraw/zinc/77/47/35/623774735.db2.gz SNSQOLZEYHGKOT-CABCVRRESA-N 0 3 324.827 3.390 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CC1)c1ccc(C)c(F)c1 ZINC000877088473 623788842 /nfs/dbraw/zinc/78/88/42/623788842.db2.gz DMQRUGKIYRHEMQ-HNNXBMFYSA-N 0 3 310.800 3.347 20 30 DGEDHN CC(C)(C)[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877124339 623797087 /nfs/dbraw/zinc/79/70/87/623797087.db2.gz VJWKQOXAJKYTOT-KGLIPLIRSA-N 0 3 307.825 3.290 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@]1(C)Cc1ccc(C)cc1 ZINC000877203432 623826683 /nfs/dbraw/zinc/82/66/83/623826683.db2.gz CLXXASKUHLDHRO-AEFFLSMTSA-N 0 3 320.864 3.389 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000779975556 623842754 /nfs/dbraw/zinc/84/27/54/623842754.db2.gz CDNNPXVFAYHLKS-UHFFFAOYSA-N 0 3 306.475 3.222 20 30 DGEDHN Cc1ccc(F)c(CCNCc2cc(C#N)cnc2Cl)c1 ZINC000877569535 623945766 /nfs/dbraw/zinc/94/57/66/623945766.db2.gz SWSQMAWAXBKTFD-UHFFFAOYSA-N 0 3 303.768 3.387 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cccc2c1OCCO2 ZINC000877703616 623999121 /nfs/dbraw/zinc/99/91/21/623999121.db2.gz AUXNZDNSGOJBDT-UHFFFAOYSA-N 0 3 308.381 3.004 20 30 DGEDHN C=CCOc1ccc(CN2CCC(C(C)(C)O)CC2)cc1OC ZINC000877754659 624020958 /nfs/dbraw/zinc/02/09/58/624020958.db2.gz OOCPZICJDGPFAD-UHFFFAOYSA-N 0 3 319.445 3.243 20 30 DGEDHN N#CC1CCC(NCc2ncc(Br)s2)CC1 ZINC000877767313 624027616 /nfs/dbraw/zinc/02/76/16/624027616.db2.gz ZEDBWTLYAVEVSC-UHFFFAOYSA-N 0 3 300.225 3.078 20 30 DGEDHN CC[C@@H](C#N)OC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000781186964 624037057 /nfs/dbraw/zinc/03/70/57/624037057.db2.gz LTSGCDOHMJGLQA-HOTGVXAUSA-N 0 3 314.385 3.008 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781531781 624088544 /nfs/dbraw/zinc/08/85/44/624088544.db2.gz JZKMQWJFTKNTIA-MRXNPFEDSA-N 0 3 323.387 3.240 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000878035802 624144158 /nfs/dbraw/zinc/14/41/58/624144158.db2.gz DVVDHAZKDZPLPI-GJZGRUSLSA-N 0 3 321.465 3.448 20 30 DGEDHN C[C@@H](C1CC1)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000782181245 624216360 /nfs/dbraw/zinc/21/63/60/624216360.db2.gz PPYFSTJIIDRPDO-AWEZNQCLSA-N 0 3 306.413 3.027 20 30 DGEDHN CC(=NN[C@H]1CCCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000782286213 624232543 /nfs/dbraw/zinc/23/25/43/624232543.db2.gz GYLDGZUTFZLYNF-SFHVURJKSA-N 0 3 315.461 3.416 20 30 DGEDHN C[C@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(C#N)cc1F ZINC000878407096 624269719 /nfs/dbraw/zinc/26/97/19/624269719.db2.gz KMNNTWMEYVJHMW-ZFWWWQNUSA-N 0 3 318.392 3.076 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCS2)cc1 ZINC000783352834 624339692 /nfs/dbraw/zinc/33/96/92/624339692.db2.gz KEEZXZVYAXRZGP-CABCVRRESA-N 0 3 316.426 3.182 20 30 DGEDHN N#CCC1(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC000878701655 624343862 /nfs/dbraw/zinc/34/38/62/624343862.db2.gz UUVYUQCDHNRUMZ-KRWDZBQOSA-N 0 3 320.383 3.404 20 30 DGEDHN N#CCC1(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC000878802095 624362675 /nfs/dbraw/zinc/36/26/75/624362675.db2.gz AWKBUTJNCWBBBO-KRWDZBQOSA-N 0 3 304.821 3.317 20 30 DGEDHN Cc1cc(C)c(CN(C)C[C@@H](O)c2cccc(C#N)c2)c(C)n1 ZINC000878800806 624362880 /nfs/dbraw/zinc/36/28/80/624362880.db2.gz GODFKWRDOHGJLN-LJQANCHMSA-N 0 3 309.413 3.044 20 30 DGEDHN C#CCOc1ccc(CN(CCO)Cc2ccc(C)cc2)cc1 ZINC000783603669 624373996 /nfs/dbraw/zinc/37/39/96/624373996.db2.gz VNDWBJIYAPWJKW-UHFFFAOYSA-N 0 3 309.409 3.002 20 30 DGEDHN CC(C)(C)OC(=O)N1CCN(CC2(CC#N)CC2)C(C)(C)CC1 ZINC000879505616 624571735 /nfs/dbraw/zinc/57/17/35/624571735.db2.gz GRVBXMZXTBLGML-UHFFFAOYSA-N 0 3 321.465 3.402 20 30 DGEDHN N#Cc1ccc(COC(=O)C2CCN(C3CC3)CC2)c(Cl)c1 ZINC000785018879 624616535 /nfs/dbraw/zinc/61/65/35/624616535.db2.gz QPXPRXHLHOMYKL-UHFFFAOYSA-N 0 3 318.804 3.129 20 30 DGEDHN COC[C@@H](N[C@@H](C)CCC#N)c1cccc(Br)c1 ZINC000879663717 624632060 /nfs/dbraw/zinc/63/20/60/624632060.db2.gz QZTRFGBUYMUIAR-SMDDNHRTSA-N 0 3 311.223 3.418 20 30 DGEDHN N#CCOc1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC000785456501 624668495 /nfs/dbraw/zinc/66/84/95/624668495.db2.gz VRFPIERINDZTPY-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)s1 ZINC000785617293 624702222 /nfs/dbraw/zinc/70/22/22/624702222.db2.gz YJQKFBRAHPXQJS-AWEZNQCLSA-N 0 3 310.781 3.235 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2nsc3ccccc32)CC1 ZINC000880023050 624758325 /nfs/dbraw/zinc/75/83/25/624758325.db2.gz NCKZAWDGNITCBL-UHFFFAOYSA-N 0 3 316.430 3.068 20 30 DGEDHN C=CCCC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000880389168 624948411 /nfs/dbraw/zinc/94/84/11/624948411.db2.gz DJNJZSFYISAKOU-QGZVFWFLSA-N 0 3 311.429 3.236 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000128422706 624956295 /nfs/dbraw/zinc/95/62/95/624956295.db2.gz UJWULMVRBQFXIT-MRXNPFEDSA-N 0 3 301.386 3.315 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2cccc(C#N)c2F)cn1 ZINC000880518832 624971056 /nfs/dbraw/zinc/97/10/56/624971056.db2.gz YBQXZRQSPZNTBP-ZNXRZULTSA-N 0 3 324.403 3.341 20 30 DGEDHN CC(C)[C@]1(C)C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787061856 624974995 /nfs/dbraw/zinc/97/49/95/624974995.db2.gz SHQLTASNVCNFRX-MDZRGWNJSA-N 0 3 312.413 3.036 20 30 DGEDHN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787075519 624976492 /nfs/dbraw/zinc/97/64/92/624976492.db2.gz ZJLMLFHLLDRFTR-HYVNUMGLSA-N 0 3 312.413 3.180 20 30 DGEDHN CC#CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000788303814 625121820 /nfs/dbraw/zinc/12/18/20/625121820.db2.gz AOXGTRJZUMXMRY-UHFFFAOYSA-N 0 3 310.441 3.057 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000788560964 625217157 /nfs/dbraw/zinc/21/71/57/625217157.db2.gz CWCPTRUVSSEOKO-RYUDHWBXSA-N 0 3 310.357 3.460 20 30 DGEDHN Cc1nc(C#N)cc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000882477527 625737147 /nfs/dbraw/zinc/73/71/47/625737147.db2.gz UFUOARRRAQBRFW-QGZVFWFLSA-N 0 3 324.453 3.413 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCCCC1 ZINC000791063034 625746554 /nfs/dbraw/zinc/74/65/54/625746554.db2.gz UVLPBHDZHCWHFB-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN N#CC(C(=O)CCc1ccncc1)c1nccc2ccccc21 ZINC000792098056 625908799 /nfs/dbraw/zinc/90/87/99/625908799.db2.gz ANXQDVGLVLXAIT-QGZVFWFLSA-N 0 3 301.349 3.439 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000883132623 625937771 /nfs/dbraw/zinc/93/77/71/625937771.db2.gz YFJJVQYDHYMJQE-HXUWFJFHSA-N 0 3 307.393 3.125 20 30 DGEDHN C=CCC[C@H](CO)NCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000883138740 625941143 /nfs/dbraw/zinc/94/11/43/625941143.db2.gz NNACCSKUCJSTKF-CQSZACIVSA-N 0 3 319.836 3.157 20 30 DGEDHN N#CC(C(=O)CCc1cnc2ccccc2c1)c1ccccn1 ZINC000796631142 626067958 /nfs/dbraw/zinc/06/79/58/626067958.db2.gz HGDDODBPJHLNOI-MRXNPFEDSA-N 0 3 301.349 3.439 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000796640246 626069010 /nfs/dbraw/zinc/06/90/10/626069010.db2.gz VGEOAJTXDOOBHV-UHFFFAOYSA-N 0 3 310.372 3.290 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2occ3c2CCC3)c1 ZINC000796789282 626083326 /nfs/dbraw/zinc/08/33/26/626083326.db2.gz NBMGWBBLEBVHMA-OAHLLOKOSA-N 0 3 308.337 3.038 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](C)c2csc3ccccc32)C1=O ZINC000798393185 626215272 /nfs/dbraw/zinc/21/52/72/626215272.db2.gz LRZKZJLJIFUEML-IUODEOHRSA-N 0 3 300.427 3.339 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000798494291 626220806 /nfs/dbraw/zinc/22/08/06/626220806.db2.gz BTLWJXAGYXLMBU-GOSISDBHSA-N 0 3 317.477 3.157 20 30 DGEDHN CC(C)[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)N(C)C ZINC000798863697 626251120 /nfs/dbraw/zinc/25/11/20/626251120.db2.gz AOQYXIDGEXRWPD-AAEUAGOBSA-N 0 3 307.463 3.203 20 30 DGEDHN Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1C#N ZINC000799630788 626314326 /nfs/dbraw/zinc/31/43/26/626314326.db2.gz CSWXLBHWIXQHNL-UHFFFAOYSA-N 0 3 313.445 3.059 20 30 DGEDHN CCCCCCCS(=O)(=O)Nc1ccccc1CN(C)C ZINC000799637226 626316285 /nfs/dbraw/zinc/31/62/85/626316285.db2.gz GPIHNCOVVWSTQN-UHFFFAOYSA-N 0 3 312.479 3.460 20 30 DGEDHN CCCCCCCS(=O)(=O)N(C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000799776457 626328351 /nfs/dbraw/zinc/32/83/51/626328351.db2.gz OTQMVNKCYGXYFD-HZPDHXFCSA-N 0 3 318.527 3.091 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000800408928 626357534 /nfs/dbraw/zinc/35/75/34/626357534.db2.gz HGDJHKWLXCWIMR-SMDDNHRTSA-N 0 3 322.355 3.116 20 30 DGEDHN Cc1cc(F)cc2c1CN(C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000800472450 626363272 /nfs/dbraw/zinc/36/32/72/626363272.db2.gz PADDIMKIMDPPPL-LJQANCHMSA-N 0 3 310.372 3.098 20 30 DGEDHN COc1ccc(OC)c(CN(CCO[C@H](C)C#N)C(C)(C)C)c1 ZINC000801929324 626426321 /nfs/dbraw/zinc/42/63/21/626426321.db2.gz RWWXJTUJMMNOBM-CQSZACIVSA-N 0 3 320.433 3.233 20 30 DGEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)Nc1ccccc1 ZINC000802043063 626429723 /nfs/dbraw/zinc/42/97/23/626429723.db2.gz PIMAZOUGQUOIDT-LBPRGKRZSA-N 0 3 318.785 3.292 20 30 DGEDHN C[C@@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000883358521 626660157 /nfs/dbraw/zinc/66/01/57/626660157.db2.gz NAAQUUDMJBNNDX-LHLIQPBNSA-N 0 3 319.220 3.174 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000883389858 626670534 /nfs/dbraw/zinc/67/05/34/626670534.db2.gz ABJUTJQWWIVXAD-WCQYABFASA-N 0 3 307.825 3.204 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1sccc1Br ZINC000883390419 626670750 /nfs/dbraw/zinc/67/07/50/626670750.db2.gz LPCNZBGJGMREEE-VHSXEESVSA-N 0 3 304.253 3.488 20 30 DGEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc(Cl)cc1F ZINC000804424717 626678551 /nfs/dbraw/zinc/67/85/51/626678551.db2.gz MVPOZELPQBOEBG-HSMVNMDESA-N 0 3 322.811 3.142 20 30 DGEDHN CC(C)CCN(CCC(C)C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884045884 626809801 /nfs/dbraw/zinc/80/98/01/626809801.db2.gz LEHJYWQNKPUHLI-HFCFLWKCSA-N 0 3 319.493 3.047 20 30 DGEDHN CC(C)CC[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)(C)C ZINC000884138737 626840231 /nfs/dbraw/zinc/84/02/31/626840231.db2.gz XDAGMZSVTAZWMD-YJTLQXIOSA-N 0 3 319.493 3.093 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCSCC1 ZINC000134964515 626895870 /nfs/dbraw/zinc/89/58/70/626895870.db2.gz UTNIJTHXVSSFTB-CYBMUJFWSA-N 0 3 313.426 3.283 20 30 DGEDHN C#C[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)C(C)C ZINC000809685571 626936196 /nfs/dbraw/zinc/93/61/96/626936196.db2.gz BDAWYJNFMVUSMQ-QGZVFWFLSA-N 0 3 301.821 3.332 20 30 DGEDHN C#CCOc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000809688547 626936697 /nfs/dbraw/zinc/93/66/97/626936697.db2.gz LQAKVJGPUWNDOZ-UHFFFAOYSA-N 0 3 324.380 3.281 20 30 DGEDHN COc1cc(CNCc2cc(C)c(OC)c(C)c2)ccc1C#N ZINC000810169643 626983418 /nfs/dbraw/zinc/98/34/18/626983418.db2.gz VHGQINLVZPWFKU-UHFFFAOYSA-N 0 3 310.397 3.482 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810195297 626986808 /nfs/dbraw/zinc/98/68/08/626986808.db2.gz FYPGBHGSDBAYOI-GOSISDBHSA-N 0 3 320.408 3.402 20 30 DGEDHN C=CC[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccncc1 ZINC000810408471 627004862 /nfs/dbraw/zinc/00/48/62/627004862.db2.gz IBYZOJCJADBHIT-CRAIPNDOSA-N 0 3 319.424 3.028 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000810527752 627012301 /nfs/dbraw/zinc/01/23/01/627012301.db2.gz NSIJUWQXKGEKLG-LBPRGKRZSA-N 0 3 324.783 3.037 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1(CCF)CC1)c1ccccc1 ZINC000810709813 627039757 /nfs/dbraw/zinc/03/97/57/627039757.db2.gz KHXRCXXDQRSZRJ-HUUCEWRRSA-N 0 3 316.376 3.103 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1(F)CCCCC1 ZINC000810709777 627039797 /nfs/dbraw/zinc/03/97/97/627039797.db2.gz JUZVEDHCKCEUSM-HNNXBMFYSA-N 0 3 316.376 3.026 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885963868 627071495 /nfs/dbraw/zinc/07/14/95/627071495.db2.gz RMDVJPPCQLFJCT-KRWDZBQOSA-N 0 3 314.429 3.128 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885963869 627071805 /nfs/dbraw/zinc/07/18/05/627071805.db2.gz RMDVJPPCQLFJCT-QGZVFWFLSA-N 0 3 314.429 3.128 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCS[C@H](c3ccccc3)C2)CCC1 ZINC000886014033 627083824 /nfs/dbraw/zinc/08/38/24/627083824.db2.gz BFRAYRCTAWWPHN-IRXDYDNUSA-N 0 3 316.470 3.221 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCSC[C@H]2c2ccccc2)CCC1 ZINC000886012349 627083932 /nfs/dbraw/zinc/08/39/32/627083932.db2.gz FNMINLFJTWEWPH-IRXDYDNUSA-N 0 3 316.470 3.221 20 30 DGEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886112422 627107497 /nfs/dbraw/zinc/10/74/97/627107497.db2.gz XTCGZYVKIXLDMW-CZUORRHYSA-N 0 3 308.372 3.450 20 30 DGEDHN C#CCN1CCC[C@@H](NCc2ccc(-c3ccncc3)cc2F)C1 ZINC000886211579 627121526 /nfs/dbraw/zinc/12/15/26/627121526.db2.gz SINRRPSLPNJIST-LJQANCHMSA-N 0 3 323.415 3.075 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886333877 627139122 /nfs/dbraw/zinc/13/91/22/627139122.db2.gz OBFBQNXZPXGQRE-VDZJLULYSA-N 0 3 317.429 3.068 20 30 DGEDHN C#CCC1(NCc2ncc(-c3ccccc3)s2)CCOCC1 ZINC000886379390 627144917 /nfs/dbraw/zinc/14/49/17/627144917.db2.gz ZQMFYISEWAVYQO-UHFFFAOYSA-N 0 3 312.438 3.472 20 30 DGEDHN C#CCC1(NCc2ccccc2Br)CCOCC1 ZINC000886381524 627145509 /nfs/dbraw/zinc/14/55/09/627145509.db2.gz GZZMPFZBJVNCSX-UHFFFAOYSA-N 0 3 308.219 3.111 20 30 DGEDHN C#CCN(C(=O)CC1(C=C)CCCCC1)C1CCN(C)CC1 ZINC000886571397 627165859 /nfs/dbraw/zinc/16/58/59/627165859.db2.gz UPABNBJJLNVICW-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C[C@H](NC[C@H](O)Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000886675105 627186873 /nfs/dbraw/zinc/18/68/73/627186873.db2.gz XAACKEDKULAEDV-SWLSCSKDSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000221271078 627217196 /nfs/dbraw/zinc/21/71/96/627217196.db2.gz GAPWCCHUFYQOQA-KGLIPLIRSA-N 0 3 309.454 3.304 20 30 DGEDHN C=CCc1ccc(OC(=O)[C@H]2CCN(C)[C@@H](C)C2)c(OC)c1 ZINC000887701317 627308045 /nfs/dbraw/zinc/30/80/45/627308045.db2.gz SWMUDOOKQOZHKU-ZFWWWQNUSA-N 0 3 303.402 3.059 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1NCCC#N ZINC000223915897 627316593 /nfs/dbraw/zinc/31/65/93/627316593.db2.gz UYYRYJQWLVTKDB-QLFBSQMISA-N 0 3 307.438 3.058 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000812353174 627374064 /nfs/dbraw/zinc/37/40/64/627374064.db2.gz HYQMAHIARVOOBQ-RHSMWYFYSA-N 0 3 318.848 3.395 20 30 DGEDHN C#C[C@H](N[C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1)c1ccc(F)cc1 ZINC000812795253 627421509 /nfs/dbraw/zinc/42/15/09/627421509.db2.gz PCOFULCZZBWDMY-ZSGPHXLJSA-N 0 3 317.404 3.458 20 30 DGEDHN C=CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000812865642 627431305 /nfs/dbraw/zinc/43/13/05/627431305.db2.gz QSKJXTSRCOWICN-SFHVURJKSA-N 0 3 304.409 3.418 20 30 DGEDHN C[C@H](OCC1CC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215321 627468086 /nfs/dbraw/zinc/46/80/86/627468086.db2.gz WSGHOKVUIMOEFT-CABZTGNLSA-N 0 3 312.291 3.092 20 30 DGEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813217503 627468610 /nfs/dbraw/zinc/46/86/10/627468610.db2.gz HLFSNJNDKQXFEG-WZRBSPASSA-N 0 3 312.291 3.234 20 30 DGEDHN O=[N+]([O-])c1ccc(NNC2=C[C@@H](C(F)(F)F)OCC2)cc1 ZINC000814681769 627583117 /nfs/dbraw/zinc/58/31/17/627583117.db2.gz BHXIYQVEKFQVOK-NSHDSACASA-N 0 3 303.240 3.104 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815010615 627616380 /nfs/dbraw/zinc/61/63/80/627616380.db2.gz WNVLBTLYXSLFCH-QGZVFWFLSA-N 0 3 306.365 3.470 20 30 DGEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000815390452 627669194 /nfs/dbraw/zinc/66/91/94/627669194.db2.gz JDROMASIWOBPKC-UHFFFAOYSA-N 0 3 310.388 3.097 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NCc1cc(F)ccc1N1CCOCC1 ZINC000925121730 627710944 /nfs/dbraw/zinc/71/09/44/627710944.db2.gz IRKULNSDFUZYBP-CQSZACIVSA-N 0 3 319.424 3.080 20 30 DGEDHN CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000925219093 627720045 /nfs/dbraw/zinc/72/00/45/627720045.db2.gz BOQONAMURTWDGF-UXLLHSPISA-N 0 3 301.434 3.177 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC(C)(C)C1CC1 ZINC000816038666 627729199 /nfs/dbraw/zinc/72/91/99/627729199.db2.gz CZFMPWIXXLLJCB-INIZCTEOSA-N 0 3 312.413 3.180 20 30 DGEDHN N#CC1(CC(=O)OC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000816073730 627734597 /nfs/dbraw/zinc/73/45/97/627734597.db2.gz FKBQUSRDDURWEG-QGZVFWFLSA-N 0 3 312.413 3.278 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000925649728 627769468 /nfs/dbraw/zinc/76/94/68/627769468.db2.gz INKZBOVOXIEQQJ-DOTOQJQBSA-N 0 3 313.445 3.096 20 30 DGEDHN C=CCC(F)(F)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000816570023 627810224 /nfs/dbraw/zinc/81/02/24/627810224.db2.gz FJDJJVJLURPYBI-UHFFFAOYSA-N 0 3 314.420 3.360 20 30 DGEDHN CC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(C#N)c1[O-] ZINC000926380506 627887131 /nfs/dbraw/zinc/88/71/31/627887131.db2.gz YUWUNMVDKZEQFW-KRWDZBQOSA-N 0 3 320.396 3.424 20 30 DGEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCCCC3)O2)cc1F ZINC000817409056 627894470 /nfs/dbraw/zinc/89/44/70/627894470.db2.gz XLIPINNJNNQMQG-MRXNPFEDSA-N 0 3 318.392 3.253 20 30 DGEDHN C=C1CCC(CNC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000926536666 627910064 /nfs/dbraw/zinc/91/00/64/627910064.db2.gz GNSGMXFJZHSRFK-UHFFFAOYSA-N 0 3 319.449 3.099 20 30 DGEDHN C#CCN1CCC[C@H](N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926863604 627965766 /nfs/dbraw/zinc/96/57/66/627965766.db2.gz AJAZESLPHCEHGY-FPOVZHCZSA-N 0 3 319.452 3.167 20 30 DGEDHN CCCCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000818106202 627996032 /nfs/dbraw/zinc/99/60/32/627996032.db2.gz XJXQBONEKKZUQU-IRXDYDNUSA-N 0 3 301.434 3.445 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1c3ccccc3CC[C@H]1O)CC2 ZINC000927141038 628024783 /nfs/dbraw/zinc/02/47/83/628024783.db2.gz VZYZJUSMWYFJPS-ZCNNSNEGSA-N 0 3 304.393 3.184 20 30 DGEDHN N#Cc1ccc(OCCN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000820823867 628301353 /nfs/dbraw/zinc/30/13/53/628301353.db2.gz PTXTWEWVNHATNW-OAHLLOKOSA-N 0 3 313.788 3.263 20 30 DGEDHN N#CC(C(=O)C=C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177663 628343502 /nfs/dbraw/zinc/34/35/02/628343502.db2.gz HZZJNXONVILXLM-WGPFEIJOSA-N 0 3 310.275 3.012 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894191 628608132 /nfs/dbraw/zinc/60/81/32/628608132.db2.gz JOZDBQQCHFMJLR-CYBMUJFWSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894191 628608133 /nfs/dbraw/zinc/60/81/33/628608133.db2.gz JOZDBQQCHFMJLR-CYBMUJFWSA-N 0 3 315.421 3.100 20 30 DGEDHN C#C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000827554561 628970143 /nfs/dbraw/zinc/97/01/43/628970143.db2.gz GOEMNSVPQLKPQN-MRXNPFEDSA-N 0 3 322.330 3.095 20 30 DGEDHN C#C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000827564530 628971176 /nfs/dbraw/zinc/97/11/76/628971176.db2.gz CNGUCFHYJNHYTP-OAHLLOKOSA-N 0 3 315.310 3.363 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000829769401 629190221 /nfs/dbraw/zinc/19/02/21/629190221.db2.gz UVCSLBITPIVZRJ-HUUCEWRRSA-N 0 3 318.848 3.253 20 30 DGEDHN C#CC[C@H]1CCCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000829773118 629190292 /nfs/dbraw/zinc/19/02/92/629190292.db2.gz AXTCAFXXBLWDPV-MAUKXSAKSA-N 0 3 314.429 3.148 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000830554536 629283397 /nfs/dbraw/zinc/28/33/97/629283397.db2.gz TWMOFHQWAHLUBO-LLVKDONJSA-N 0 3 301.415 3.203 20 30 DGEDHN C#CCOc1ccc(CN[C@@H]2CCc3ccc(OC)cc32)cc1 ZINC000834889969 629798324 /nfs/dbraw/zinc/79/83/24/629798324.db2.gz HPYHIVMRSOXSLI-HXUWFJFHSA-N 0 3 307.393 3.484 20 30 DGEDHN C[C@@H]1CCC(=NNC2=N[C@H]3CCCC[C@@H]3N2)c2sccc21 ZINC000834965869 629813901 /nfs/dbraw/zinc/81/39/01/629813901.db2.gz ILOBWEQQUDKSPS-WXHSDQCUSA-N 0 3 302.447 3.210 20 30 DGEDHN CC(C)(C)C(=O)CCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063414 629841823 /nfs/dbraw/zinc/84/18/23/629841823.db2.gz LESGXJNTDMMVPQ-AWEZNQCLSA-N 0 3 314.385 3.119 20 30 DGEDHN CC(C)(C)C(=O)CCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063416 629841888 /nfs/dbraw/zinc/84/18/88/629841888.db2.gz LESGXJNTDMMVPQ-CQSZACIVSA-N 0 3 314.385 3.119 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)C#CC(C)(C)C)c1ccsc1 ZINC000837343490 630244572 /nfs/dbraw/zinc/24/45/72/630244572.db2.gz NLCNXXMGFNCUOA-HNNXBMFYSA-N 0 3 306.475 3.297 20 30 DGEDHN CSc1ccc([C@H](CNC(=O)C#CC(C)(C)C)N(C)C)cc1 ZINC000837672635 630295268 /nfs/dbraw/zinc/29/52/68/630295268.db2.gz HXFFDWNGFWFSDU-INIZCTEOSA-N 0 3 318.486 3.177 20 30 DGEDHN C#CCOc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000840957784 630385307 /nfs/dbraw/zinc/38/53/07/630385307.db2.gz MUOFAGDZGJECMV-QUCCMNQESA-N 0 3 307.393 3.007 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@H](C)O[C@H]1C ZINC000840962415 630387423 /nfs/dbraw/zinc/38/74/23/630387423.db2.gz BJBPPKGZKBKHMK-IHRRRGAJSA-N 0 3 307.821 3.255 20 30 DGEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000842288906 630511413 /nfs/dbraw/zinc/51/14/13/630511413.db2.gz MLACNWAGNWJVGL-KGLIPLIRSA-N 0 3 322.792 3.048 20 30 DGEDHN CC(=NN(C)[C@H](C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000842544076 630546629 /nfs/dbraw/zinc/54/66/29/630546629.db2.gz DYGAZFDQWDSJDB-OAHLLOKOSA-N 0 3 303.450 3.104 20 30 DGEDHN CCCN(CCC)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000843424930 630657170 /nfs/dbraw/zinc/65/71/70/630657170.db2.gz 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C#CCN1CCC(CNC(=O)c2cc(C)c(C)cc2Cl)CC1 ZINC001001712108 660456422 /nfs/dbraw/zinc/45/64/22/660456422.db2.gz KLSHBXHQGILZDU-UHFFFAOYSA-N 0 3 318.848 3.032 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2cc(C)cc(Cl)c2)CC1 ZINC001001632488 660455267 /nfs/dbraw/zinc/45/52/67/660455267.db2.gz QIMPXSALMHWFOV-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2cccc(C)c2Cl)CC1 ZINC001001945837 660460525 /nfs/dbraw/zinc/46/05/25/660460525.db2.gz GHQCOHWKPQGRJB-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)c2ccco2)CC1 ZINC001004322117 660541737 /nfs/dbraw/zinc/54/17/37/660541737.db2.gz BKYKSZWYHLWEPT-OAHLLOKOSA-N 0 3 322.836 3.349 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001033113867 660548830 /nfs/dbraw/zinc/54/88/30/660548830.db2.gz ZCBISNFUQSODBI-KRWDZBQOSA-N 0 3 316.445 3.034 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2conc2C2CCCC2)C1 ZINC001033140085 660556099 /nfs/dbraw/zinc/55/60/99/660556099.db2.gz PKEUZBVOMQVSLT-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)C(C)(C)C)CCN1Cc1cccc(C#N)c1 ZINC000947957664 660561810 /nfs/dbraw/zinc/56/18/10/660561810.db2.gz MCHFLIRSSYDLQQ-WMLDXEAASA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001033166254 660571505 /nfs/dbraw/zinc/57/15/05/660571505.db2.gz RCFYLNPZKQUZDM-CYBMUJFWSA-N 0 3 321.490 3.163 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C(C)(C)CC)CC[C@@H]2C1 ZINC000946739944 660581013 /nfs/dbraw/zinc/58/10/13/660581013.db2.gz IYSIGZYJDHQVMX-GASCZTMLSA-N 0 3 312.885 3.346 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001033243609 660598426 /nfs/dbraw/zinc/59/84/26/660598426.db2.gz HUIMSYBTKDMERD-LJQANCHMSA-N 0 3 314.473 3.146 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033316120 660606963 /nfs/dbraw/zinc/60/69/63/660606963.db2.gz UMUNJRGFHQYWRD-INIZCTEOSA-N 0 3 312.413 3.084 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2C)C1 ZINC001033380092 660615528 /nfs/dbraw/zinc/61/55/28/660615528.db2.gz HECSDLBBOFBCLW-HNNXBMFYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001033400460 660620138 /nfs/dbraw/zinc/62/01/38/660620138.db2.gz VUSLYRGVUJZGAA-QGZVFWFLSA-N 0 3 302.462 3.376 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)nc2C)C1 ZINC001033428614 660621672 /nfs/dbraw/zinc/62/16/72/660621672.db2.gz ZHKONXRKDAQSKI-MRXNPFEDSA-N 0 3 315.461 3.236 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001033446847 660622817 /nfs/dbraw/zinc/62/28/17/660622817.db2.gz CJCCVWNDQWWMGG-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001033446849 660623073 /nfs/dbraw/zinc/62/30/73/660623073.db2.gz CJCCVWNDQWWMGG-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001033511457 660628917 /nfs/dbraw/zinc/62/89/17/660628917.db2.gz BCJJYEOJFMTIPI-LPHOPBHVSA-N 0 3 314.473 3.461 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001033511081 660629203 /nfs/dbraw/zinc/62/92/03/660629203.db2.gz AYVKWQLISXGMKK-LSDHHAIUSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001033585853 660636541 /nfs/dbraw/zinc/63/65/41/660636541.db2.gz OGCRZXVCAYIDIN-IBGZPJMESA-N 0 3 310.441 3.368 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033621733 660640518 /nfs/dbraw/zinc/64/05/18/660640518.db2.gz CONPKISRILJUAV-YMAMQOFZSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2coc3ccc(F)cc32)C1 ZINC001033623600 660640952 /nfs/dbraw/zinc/64/09/52/660640952.db2.gz FPJCZJVWQICIJU-AWEZNQCLSA-N 0 3 316.376 3.294 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3cccc(F)c3o2)C1 ZINC001033675201 660648160 /nfs/dbraw/zinc/64/81/60/660648160.db2.gz MTIJTRYSHHRAEW-CQSZACIVSA-N 0 3 316.376 3.294 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698263 660651482 /nfs/dbraw/zinc/65/14/82/660651482.db2.gz PDKQMNKSUNLBJY-MJGOQNOKSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2CC(C)C)C1 ZINC001033699881 660651805 /nfs/dbraw/zinc/65/18/05/660651805.db2.gz QUUFWQMFOAWCFD-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033702807 660652447 /nfs/dbraw/zinc/65/24/47/660652447.db2.gz VICNUMXBOBOZNN-ACBHZAAOSA-N 0 3 312.457 3.289 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001033729378 660657254 /nfs/dbraw/zinc/65/72/54/660657254.db2.gz PDDZNIVGVCLXPM-FQEVSTJZSA-N 0 3 322.452 3.424 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccnc(CCC)c2)C1 ZINC001033862935 660672400 /nfs/dbraw/zinc/67/24/00/660672400.db2.gz PIYRHEHECBBJOD-SFHVURJKSA-N 0 3 315.461 3.147 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033966069 660686173 /nfs/dbraw/zinc/68/61/73/660686173.db2.gz CVBWHBGFRFVOTR-QGZVFWFLSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001033972826 660687109 /nfs/dbraw/zinc/68/71/09/660687109.db2.gz QGJLVTXCWAQAHF-INDMIFKZSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2Cl)C1 ZINC001033962819 660688220 /nfs/dbraw/zinc/68/82/20/660688220.db2.gz HOZCWEVZZMNHRI-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cc([C@H](C)CC)no2)C1 ZINC001033978599 660689409 /nfs/dbraw/zinc/68/94/09/660689409.db2.gz AHDFODQNUKWGDW-HUUCEWRRSA-N 0 3 319.449 3.301 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033982012 660690245 /nfs/dbraw/zinc/69/02/45/660690245.db2.gz NJGMWYBOOHONCZ-QRVBRYPASA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2oc(CCC)nc2C)C1 ZINC001034012542 660693327 /nfs/dbraw/zinc/69/33/27/660693327.db2.gz GPKPNZUOWNIWJX-HNNXBMFYSA-N 0 3 319.449 3.048 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001034014089 660693496 /nfs/dbraw/zinc/69/34/96/660693496.db2.gz BECXIWSIOUQZHS-KRWDZBQOSA-N 0 3 317.477 3.326 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046255 660701221 /nfs/dbraw/zinc/70/12/21/660701221.db2.gz RBUGRODHSCJYBM-LJQANCHMSA-N 0 3 310.441 3.124 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2C)C1 ZINC001034029751 660696166 /nfs/dbraw/zinc/69/61/66/660696166.db2.gz OUIPWVCJOSVNJB-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001034274472 660731119 /nfs/dbraw/zinc/73/11/19/660731119.db2.gz NJZUHJKQIVFINC-AWEZNQCLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001034273763 660731184 /nfs/dbraw/zinc/73/11/84/660731184.db2.gz RBLOFJNTNCDEIY-HRCADAONSA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2nccc3ccsc32)C1 ZINC001034251742 660729608 /nfs/dbraw/zinc/72/96/08/660729608.db2.gz BDYZEAZLWHJVET-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001034268984 660730798 /nfs/dbraw/zinc/73/07/98/660730798.db2.gz PUZWLZMOLXPEJO-IEBWSBKVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001034292598 660733291 /nfs/dbraw/zinc/73/32/91/660733291.db2.gz GWFFFPIYIZNWBP-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001034344240 660740521 /nfs/dbraw/zinc/74/05/21/660740521.db2.gz HPSBWOYHPFNFOF-INIZCTEOSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001034377164 660745089 /nfs/dbraw/zinc/74/50/89/660745089.db2.gz IRLCPEXHWJPDBA-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001034378615 660745433 /nfs/dbraw/zinc/74/54/33/660745433.db2.gz KKZONHMIJLZMSG-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001034379595 660745508 /nfs/dbraw/zinc/74/55/08/660745508.db2.gz FAHPRGXRZHCJTR-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001034394158 660747040 /nfs/dbraw/zinc/74/70/40/660747040.db2.gz LPOJHKCQLGWDHD-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001034394156 660747214 /nfs/dbraw/zinc/74/72/14/660747214.db2.gz LPOJHKCQLGWDHD-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034395182 660747431 /nfs/dbraw/zinc/74/74/31/660747431.db2.gz UILBGLZHTYBYGT-HOCLYGCPSA-N 0 3 306.475 3.398 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001034448264 660752650 /nfs/dbraw/zinc/75/26/50/660752650.db2.gz MNDMZESIAASNLV-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001034415475 660750749 /nfs/dbraw/zinc/75/07/49/660750749.db2.gz JLICJRCHUYBYKX-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001034440243 660754323 /nfs/dbraw/zinc/75/43/23/660754323.db2.gz SVOSQDIGSKGVDG-YTQUADARSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001034443731 660754864 /nfs/dbraw/zinc/75/48/64/660754864.db2.gz YXRHRQTZQUMHQW-CEXWTWQISA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001034494258 660759777 /nfs/dbraw/zinc/75/97/77/660759777.db2.gz XWZUKNLVCVLIHO-GJZGRUSLSA-N 0 3 306.475 3.317 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034499260 660761219 /nfs/dbraw/zinc/76/12/19/660761219.db2.gz SKRSCNGTMNIQAI-GBESFXJTSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001034483183 660761288 /nfs/dbraw/zinc/76/12/88/660761288.db2.gz BFKRHCHOFLTBIX-OAHLLOKOSA-N 0 3 316.470 3.233 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001034511905 660764586 /nfs/dbraw/zinc/76/45/86/660764586.db2.gz FPKGJTPQVQOQIO-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001034514397 660765259 /nfs/dbraw/zinc/76/52/59/660765259.db2.gz JIURBXBYONYPBV-IBGZPJMESA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001034535155 660769444 /nfs/dbraw/zinc/76/94/44/660769444.db2.gz CAQNSIYCBKYPNF-SJORKVTESA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001034547652 660772613 /nfs/dbraw/zinc/77/26/13/660772613.db2.gz SAKFECBYSLRSDA-FXAWDEMLSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001045535512 660782616 /nfs/dbraw/zinc/78/26/16/660782616.db2.gz YNNMKAXFHPAQBB-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2c(C)cccc2Cl)CC1 ZINC001005662797 660785939 /nfs/dbraw/zinc/78/59/39/660785939.db2.gz LCJWQLWRKLPTLL-UHFFFAOYSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(F)ccc2CC)CC1 ZINC001005661876 660786033 /nfs/dbraw/zinc/78/60/33/660786033.db2.gz BJFQALOQYIQWAP-UHFFFAOYSA-N 0 3 304.409 3.111 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc3cc(C)ccc3n2)CC1 ZINC001005692641 660789794 /nfs/dbraw/zinc/78/97/94/660789794.db2.gz BSFSPYGRRSDKNI-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001035015293 660809412 /nfs/dbraw/zinc/80/94/12/660809412.db2.gz ZCDPAQHVGMWHFH-MRXNPFEDSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001035036036 660811295 /nfs/dbraw/zinc/81/12/95/660811295.db2.gz URONHUWAAAMSHP-RHSMWYFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCc1ccsc1)CC2 ZINC001035723021 660847281 /nfs/dbraw/zinc/84/72/81/660847281.db2.gz CRRDYZTXRZRNDH-UHFFFAOYSA-N 0 3 318.486 3.181 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]1CCC)CC2 ZINC001035737565 660848581 /nfs/dbraw/zinc/84/85/81/660848581.db2.gz JVKDQEBWXHORRU-ROUUACIJSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1occc1Cl)CC2 ZINC001035788316 660852124 /nfs/dbraw/zinc/85/21/24/660852124.db2.gz XRSKROJMOWHFLU-UHFFFAOYSA-N 0 3 308.809 3.047 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H](C)c1ccco1)CC2 ZINC001035838140 660857524 /nfs/dbraw/zinc/85/75/24/660857524.db2.gz OSAMHVVMXQLWAZ-INIZCTEOSA-N 0 3 316.445 3.274 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC3CCC1CC3)CC2 ZINC001035858185 660860264 /nfs/dbraw/zinc/86/02/64/660860264.db2.gz PQNOGMZKIPKTOE-ABHNRTSZSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C[C@@H](C(=O)N1CCC2(CN(CC(=C)C)C2)CC1)c1ccccc1 ZINC001035856880 660860293 /nfs/dbraw/zinc/86/02/93/660860293.db2.gz XGVCJSZTOVYGTH-LJQANCHMSA-N 0 3 324.468 3.457 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001005888540 660946892 /nfs/dbraw/zinc/94/68/92/660946892.db2.gz WCMZSAWJMLQOQU-QWHCGFSZSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(CCC)cc2)CC1 ZINC001005906412 660947833 /nfs/dbraw/zinc/94/78/33/660947833.db2.gz MMECDUOIXGTDGA-UHFFFAOYSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC001006162213 660966522 /nfs/dbraw/zinc/96/65/22/660966522.db2.gz HMCPLBWWASOIAF-KRWDZBQOSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)c(CC)o2)CC1 ZINC001006279373 660972399 /nfs/dbraw/zinc/97/23/99/660972399.db2.gz QMBMHDLJLIMQTK-UHFFFAOYSA-N 0 3 304.434 3.263 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CCCCC[C@H]1CCO ZINC000792929036 660994495 /nfs/dbraw/zinc/99/44/95/660994495.db2.gz VEGHJZOIGUQDKR-INIZCTEOSA-N 0 3 322.836 3.369 20 30 DGEDHN C=CCN(CCOC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793179051 661010613 /nfs/dbraw/zinc/01/06/13/661010613.db2.gz XSYULJVXKNOYIB-UHFFFAOYSA-N 0 3 316.367 3.406 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000794808402 661106359 /nfs/dbraw/zinc/10/63/59/661106359.db2.gz BAEDQMWDJJRYMT-MAUKXSAKSA-N 0 3 324.428 3.268 20 30 DGEDHN CC[NH+](CC)[C@H](C)C/N=C/c1cc(Br)ccc1[O-] ZINC000794834769 661108317 /nfs/dbraw/zinc/10/83/17/661108317.db2.gz UGLKXKDJWNJHGF-HPUUJOOBSA-N 0 3 313.239 3.304 20 30 DGEDHN CC1(C)CCC(=NNC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000794857697 661109873 /nfs/dbraw/zinc/10/98/73/661109873.db2.gz LRZDCAZKYMRSIV-IRXDYDNUSA-N 0 3 310.445 3.322 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC000969121279 655525412 /nfs/dbraw/zinc/52/54/12/655525412.db2.gz GGUXNYSJFFJSQE-OAHLLOKOSA-N 0 3 321.852 3.286 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC000969121033 655525517 /nfs/dbraw/zinc/52/55/17/655525517.db2.gz ALOLMHHNSIGEGD-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC000969136535 655527650 /nfs/dbraw/zinc/52/76/50/655527650.db2.gz OVLFVSSTUWPOOQ-IBGZPJMESA-N 0 3 312.457 3.247 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1sccc1CC ZINC000969156321 655529346 /nfs/dbraw/zinc/52/93/46/655529346.db2.gz PIYYXYYHKLDAEP-MRXNPFEDSA-N 0 3 318.486 3.308 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(C)cccc1F ZINC000969160767 655529624 /nfs/dbraw/zinc/52/96/24/655529624.db2.gz LIQNLTBZCDMORX-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC000969753161 655556652 /nfs/dbraw/zinc/55/66/52/655556652.db2.gz MYQLNIRTOSALKI-OAHLLOKOSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC000969753160 655556717 /nfs/dbraw/zinc/55/67/17/655556717.db2.gz MYQLNIRTOSALKI-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001039051241 655557704 /nfs/dbraw/zinc/55/77/04/655557704.db2.gz UNYLEMACGPVOOD-ZDUSSCGKSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)CC1 ZINC000969823233 655559004 /nfs/dbraw/zinc/55/90/04/655559004.db2.gz BLPHNZQERLGSSF-GOSISDBHSA-N 0 3 316.420 3.263 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC000969830924 655559144 /nfs/dbraw/zinc/55/91/44/655559144.db2.gz WFOAGLMJVPUDGT-RHSMWYFYSA-N 0 3 321.490 3.053 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000969866556 655561466 /nfs/dbraw/zinc/56/14/66/655561466.db2.gz YDZCUWQFIGHHQH-SZMVWBNQSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2occc2-c2ccccc2)C1 ZINC000970104658 655575841 /nfs/dbraw/zinc/57/58/41/655575841.db2.gz KQXAGSUBNNBGPK-OAHLLOKOSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001020945690 655582414 /nfs/dbraw/zinc/58/24/14/655582414.db2.gz QRZUWRMDRPSTBM-WKILWMFISA-N 0 3 320.864 3.262 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001039119984 655582657 /nfs/dbraw/zinc/58/26/57/655582657.db2.gz VJEQZZZUBLOOOV-CJNGLKHVSA-N 0 3 312.885 3.346 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001020981823 655584640 /nfs/dbraw/zinc/58/46/40/655584640.db2.gz OFPWXOQNJIFGOE-SHTZXODSSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2CC)C1 ZINC000968683056 655585362 /nfs/dbraw/zinc/58/53/62/655585362.db2.gz XSXFPAORRIVMQV-HIFRSBDPSA-N 0 3 306.475 3.327 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)c3cccnc23)C1 ZINC000970180205 655587186 /nfs/dbraw/zinc/58/71/86/655587186.db2.gz SRRBFADTCJYVJY-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001021066682 655588608 /nfs/dbraw/zinc/58/86/08/655588608.db2.gz FURQCAPVCONNDB-HDJSIYSDSA-N 0 3 310.800 3.045 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001021095276 655588969 /nfs/dbraw/zinc/58/89/69/655588969.db2.gz PHFSEBGAPASKCY-WKILWMFISA-N 0 3 318.848 3.016 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000970352649 655596048 /nfs/dbraw/zinc/59/60/48/655596048.db2.gz YWBXBWWPLSQOFZ-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN CCCN(CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000177410398 655600963 /nfs/dbraw/zinc/60/09/63/655600963.db2.gz XSOZIIGGLLXIOA-UHFFFAOYSA-N 0 3 317.433 3.295 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC000970486699 655602338 /nfs/dbraw/zinc/60/23/38/655602338.db2.gz QBJWLEZGXBWVFG-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc(C)cs2)C1 ZINC001039199503 655612168 /nfs/dbraw/zinc/61/21/68/655612168.db2.gz BHLKFLGKFYQNGP-HOTGVXAUSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3ccccc3c2)C1 ZINC000970791006 655620919 /nfs/dbraw/zinc/62/09/19/655620919.db2.gz HXCAIMWRDRYJDV-HNNXBMFYSA-N 0 3 308.425 3.466 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2CCCCC2)C1 ZINC001021514449 655623402 /nfs/dbraw/zinc/62/34/02/655623402.db2.gz NKDOWUIDTHQSAT-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cscc2C)C1 ZINC001021555431 655630763 /nfs/dbraw/zinc/63/07/63/655630763.db2.gz VDQMFORHBOOHGD-RDJZCZTQSA-N 0 3 316.470 3.006 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C[C@H]1C ZINC000947411130 655631691 /nfs/dbraw/zinc/63/16/91/655631691.db2.gz DLNWILRCANEXKC-VXGBXAGGSA-N 0 3 312.360 3.294 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC000970941363 655640634 /nfs/dbraw/zinc/64/06/34/655640634.db2.gz NKNSHAJBBOTCDA-ATIQYGATSA-N 0 3 324.468 3.121 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC(C)(C)C2)C1 ZINC001021656804 655650649 /nfs/dbraw/zinc/65/06/49/655650649.db2.gz XKEAEJOYNYVAQJ-ZWKOTPCHSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001021718825 655663196 /nfs/dbraw/zinc/66/31/96/655663196.db2.gz KKIAUCOLSLPVHM-VJANTYMQSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C)ccc2C)C1 ZINC001021722563 655664114 /nfs/dbraw/zinc/66/41/14/655664114.db2.gz OXNHLRXLMJNUTN-UYAOXDASSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(CC)cc2)C1 ZINC001021724213 655664167 /nfs/dbraw/zinc/66/41/67/655664167.db2.gz KIOZODPXNKLQOL-PMACEKPBSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C3CC3)c2)C1 ZINC001021739406 655668170 /nfs/dbraw/zinc/66/81/70/655668170.db2.gz JFVBIRFDDSIOQD-PMACEKPBSA-N 0 3 322.452 3.124 20 30 DGEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000050678947 655673659 /nfs/dbraw/zinc/67/36/59/655673659.db2.gz DQTALQNZPVAOBG-PBHICJAKSA-N 0 3 312.413 3.338 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC001041849756 655685031 /nfs/dbraw/zinc/68/50/31/655685031.db2.gz AGTDBKHLNIKMIO-PMACEKPBSA-N 0 3 314.473 3.071 20 30 DGEDHN CC(C)C[C@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000933251238 655692295 /nfs/dbraw/zinc/69/22/95/655692295.db2.gz QEFLXLWYLNBUCG-SFHVURJKSA-N 0 3 304.865 3.354 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCC1 ZINC000933304601 655698696 /nfs/dbraw/zinc/69/86/96/655698696.db2.gz OSPOGLLKRXQHML-GFCCVEGCSA-N 0 3 322.355 3.151 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001022130416 655714109 /nfs/dbraw/zinc/71/41/09/655714109.db2.gz FBJCTSRZXJZIEE-GASCZTMLSA-N 0 3 318.848 3.168 20 30 DGEDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc(C#N)cs1 ZINC000933777291 655732716 /nfs/dbraw/zinc/73/27/16/655732716.db2.gz IZRBPZDYOHSSGS-UHFFFAOYSA-N 0 3 301.371 3.202 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001022392667 655735331 /nfs/dbraw/zinc/73/53/31/655735331.db2.gz NNXJRJVRWSYREE-IYBDPMFKSA-N 0 3 318.848 3.098 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000971889791 655744140 /nfs/dbraw/zinc/74/41/40/655744140.db2.gz NBDXUHKNVNIKLA-CQSZACIVSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC000972026682 655755436 /nfs/dbraw/zinc/75/54/36/655755436.db2.gz ARJNMRDYLCBEIZ-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001022647749 655758191 /nfs/dbraw/zinc/75/81/91/655758191.db2.gz BVFRRPUYOBQUIN-TXEJJXNPSA-N 0 3 313.228 3.251 20 30 DGEDHN C=CC[C@H]1CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000934468198 655777553 /nfs/dbraw/zinc/77/75/53/655777553.db2.gz VSJDIONPLIOOKQ-QWHCGFSZSA-N 0 3 311.410 3.123 20 30 DGEDHN CCC(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972208507 655778946 /nfs/dbraw/zinc/77/89/46/655778946.db2.gz BRSUBOZURGQDAV-KRWDZBQOSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC000972319716 655788486 /nfs/dbraw/zinc/78/84/86/655788486.db2.gz IZKPNIWOOGIPPW-RTBURBONSA-N 0 3 314.473 3.220 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)C)nc2CC)C1 ZINC000972353536 655791451 /nfs/dbraw/zinc/79/14/51/655791451.db2.gz VUUUANKUDUBOOL-HNNXBMFYSA-N 0 3 315.461 3.100 20 30 DGEDHN C#CCCCCNCc1ccccc1I ZINC000308863813 655792947 /nfs/dbraw/zinc/79/29/47/655792947.db2.gz CWSOAGCHRSPKQG-UHFFFAOYSA-N 0 3 313.182 3.184 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001022887404 655797617 /nfs/dbraw/zinc/79/76/17/655797617.db2.gz AQOSXMCQNXJRJY-ZNNBLSDJSA-N 0 3 312.885 3.438 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2O[C@H](C)CC)C1 ZINC000972447665 655799872 /nfs/dbraw/zinc/79/98/72/655799872.db2.gz UBPVGZBLHQDINA-CVEARBPZSA-N 0 3 316.445 3.196 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001023053779 655811075 /nfs/dbraw/zinc/81/10/75/655811075.db2.gz OLNNLGPFIQMVJO-GASCZTMLSA-N 0 3 322.836 3.077 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000972509287 655812562 /nfs/dbraw/zinc/81/25/62/655812562.db2.gz GHCAAGHPZMNYMJ-YESZJQIVSA-N 0 3 318.848 3.162 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001023132802 655814421 /nfs/dbraw/zinc/81/44/21/655814421.db2.gz NJAVQHSSOVYFBW-OKILXGFUSA-N 0 3 318.804 3.344 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3sc(C)cc3C)C[C@@H]21 ZINC001042074050 655824963 /nfs/dbraw/zinc/82/49/63/655824963.db2.gz CLRNMCYPJTYPSA-CABCVRRESA-N 0 3 304.459 3.087 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(F)c3ccccc23)C1 ZINC001023608677 655847649 /nfs/dbraw/zinc/84/76/49/655847649.db2.gz CHUKHKISMZJQJQ-OAHLLOKOSA-N 0 3 324.399 3.054 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C(C)C)C[C@@H]1C ZINC000947584927 655853350 /nfs/dbraw/zinc/85/33/50/655853350.db2.gz OMXUYJKKYDWMCX-HOTGVXAUSA-N 0 3 315.461 3.282 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC001023730904 655858927 /nfs/dbraw/zinc/85/89/27/655858927.db2.gz KOILFBGMTIRISV-QGZVFWFLSA-N 0 3 320.436 3.305 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001023767914 655863683 /nfs/dbraw/zinc/86/36/83/655863683.db2.gz LASQUCPGEAQFIJ-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001023767911 655863741 /nfs/dbraw/zinc/86/37/41/655863741.db2.gz LASQUCPGEAQFIJ-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000972770035 655879601 /nfs/dbraw/zinc/87/96/01/655879601.db2.gz MVCBGKQURAZEBV-QZTJIDSGSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001024434760 655906036 /nfs/dbraw/zinc/90/60/36/655906036.db2.gz HGJGTFMMSLQOLL-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001024479530 655909564 /nfs/dbraw/zinc/90/95/64/655909564.db2.gz IVEKFKYKLIZVFF-QGZVFWFLSA-N 0 3 315.461 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccsc1COC ZINC001024510257 655911928 /nfs/dbraw/zinc/91/19/28/655911928.db2.gz IFQBEOICTVWCEG-CQSZACIVSA-N 0 3 322.474 3.055 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001024671735 655928853 /nfs/dbraw/zinc/92/88/53/655928853.db2.gz JYGIBFNKZUVLJI-OAHLLOKOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001024669882 655929231 /nfs/dbraw/zinc/92/92/31/655929231.db2.gz KCUDICOBDVDMJS-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001024716562 655932976 /nfs/dbraw/zinc/93/29/76/655932976.db2.gz ZBMHNWFQCVQDAK-SFHVURJKSA-N 0 3 323.440 3.395 20 30 DGEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000177598518 655933914 /nfs/dbraw/zinc/93/39/14/655933914.db2.gz PNEBRIMSKJSXKB-CYBMUJFWSA-N 0 3 314.366 3.026 20 30 DGEDHN CC(C)(C)OC(=O)N(CCNCc1cc(C#N)cs1)C1CC1 ZINC000177695284 655940646 /nfs/dbraw/zinc/94/06/46/655940646.db2.gz OKSZHQIFPFQLGY-UHFFFAOYSA-N 0 3 321.446 3.109 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001024821919 655942007 /nfs/dbraw/zinc/94/20/07/655942007.db2.gz VOPDKMKWURBYPM-PBPGXSGUSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001025194437 655976007 /nfs/dbraw/zinc/97/60/07/655976007.db2.gz CZBKUVBBDPNSOO-GJZGRUSLSA-N 0 3 304.459 3.393 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccs1 ZINC001025194439 655976134 /nfs/dbraw/zinc/97/61/34/655976134.db2.gz CZBKUVBBDPNSOO-LSDHHAIUSA-N 0 3 304.459 3.393 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196291 655976821 /nfs/dbraw/zinc/97/68/21/655976821.db2.gz SKCCMISXYGSFLJ-VQTJNVASSA-N 0 3 324.468 3.477 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnc(C)s1 ZINC001025209752 655979064 /nfs/dbraw/zinc/97/90/64/655979064.db2.gz NWYUNPNHAUSEIL-HUUCEWRRSA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001025213831 655979476 /nfs/dbraw/zinc/97/94/76/655979476.db2.gz PJJXETAQQIZQJO-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025215613 655979633 /nfs/dbraw/zinc/97/96/33/655979633.db2.gz BPBCRECKPVPTCS-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001025215274 655979679 /nfs/dbraw/zinc/97/96/79/655979679.db2.gz LCRHBJBBNDLGRW-CVEARBPZSA-N 0 3 316.489 3.147 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227608 655981636 /nfs/dbraw/zinc/98/16/36/655981636.db2.gz RNWSHXWRAOWGET-IRXDYDNUSA-N 0 3 302.418 3.233 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227607 655981680 /nfs/dbraw/zinc/98/16/80/655981680.db2.gz RNWSHXWRAOWGET-IAGOWNOFSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccsc1C ZINC001025228241 655981834 /nfs/dbraw/zinc/98/18/34/655981834.db2.gz WUDKDWQKIBIGQV-IAGOWNOFSA-N 0 3 316.470 3.149 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccoc1CC ZINC001025228678 655982081 /nfs/dbraw/zinc/98/20/81/655982081.db2.gz BXVWLFJBEHJYSZ-IRXDYDNUSA-N 0 3 316.445 3.487 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001025230009 655982333 /nfs/dbraw/zinc/98/23/33/655982333.db2.gz RUNITQVTTDMHSR-QZTJIDSGSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C(=C)Cl ZINC001025237553 655983174 /nfs/dbraw/zinc/98/31/74/655983174.db2.gz MRPWURPFZDITPH-JKSUJKDBSA-N 0 3 322.880 3.244 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001025243208 655984268 /nfs/dbraw/zinc/98/42/68/655984268.db2.gz ARGNJFMBXRBHQJ-VQTJNVASSA-N 0 3 324.468 3.098 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1CC ZINC001025264819 655986092 /nfs/dbraw/zinc/98/60/92/655986092.db2.gz BRNIUEPDGXMQCS-DLBZAZTESA-N 0 3 316.445 3.487 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#CC ZINC001025260593 655986429 /nfs/dbraw/zinc/98/64/29/655986429.db2.gz YNJQDKXUALBKRE-IAGOWNOFSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c(C)cccc1C ZINC001025270364 655988025 /nfs/dbraw/zinc/98/80/25/655988025.db2.gz CMKAJIUFUXANJH-MOPGFXCFSA-N 0 3 324.468 3.396 20 30 DGEDHN C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025346084 655997779 /nfs/dbraw/zinc/99/77/79/655997779.db2.gz RAQJIMOXPVXYAX-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025346084 655997781 /nfs/dbraw/zinc/99/77/81/655997781.db2.gz RAQJIMOXPVXYAX-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388767 656004298 /nfs/dbraw/zinc/00/42/98/656004298.db2.gz MAYFQTMCCKLVQH-FUHWJXTLSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC001025432213 656011340 /nfs/dbraw/zinc/01/13/40/656011340.db2.gz SHTJEZVNIKDYSD-CABCVRRESA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC001025473510 656018936 /nfs/dbraw/zinc/01/89/36/656018936.db2.gz FBZQHMQXZFVIOJ-HUUCEWRRSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001025485992 656022226 /nfs/dbraw/zinc/02/22/26/656022226.db2.gz RAZPZRCMTWPKFG-LSDHHAIUSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC001025524170 656027934 /nfs/dbraw/zinc/02/79/34/656027934.db2.gz SYCAINRNUQJYOH-GJZGRUSLSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001025523048 656028096 /nfs/dbraw/zinc/02/80/96/656028096.db2.gz LUNXSBCONZJMLE-HOCLYGCPSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001025520818 656029215 /nfs/dbraw/zinc/02/92/15/656029215.db2.gz AMNCVQGVQLORCG-HOCLYGCPSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC001025540769 656032465 /nfs/dbraw/zinc/03/24/65/656032465.db2.gz ZEZACYYHPZXJBR-ZWKOTPCHSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025601150 656043002 /nfs/dbraw/zinc/04/30/02/656043002.db2.gz AFXQEJYNYQDDFC-MKXGPGLRSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3ccccc3c2)C1 ZINC001025602591 656043953 /nfs/dbraw/zinc/04/39/53/656043953.db2.gz JCMXOJXIRXFAQL-OXJNMPFZSA-N 0 3 320.436 3.303 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001025615542 656048376 /nfs/dbraw/zinc/04/83/76/656048376.db2.gz VWWZSGXLHRNYLQ-RDJZCZTQSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC001025615556 656048508 /nfs/dbraw/zinc/04/85/08/656048508.db2.gz WBTQHWVZXKUNCX-DZGCQCFKSA-N 0 3 316.470 3.089 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001038330414 656049250 /nfs/dbraw/zinc/04/92/50/656049250.db2.gz SWOHPVJZUUCPDM-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001025628141 656050830 /nfs/dbraw/zinc/05/08/30/656050830.db2.gz NOHADIANOFICKQ-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001025629371 656051233 /nfs/dbraw/zinc/05/12/33/656051233.db2.gz GGPRTFSKFKOGQN-JKSUJKDBSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC001025634147 656053446 /nfs/dbraw/zinc/05/34/46/656053446.db2.gz ZRFLZBFXZSQNRH-JKSUJKDBSA-N 0 3 316.445 3.257 20 30 DGEDHN CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036876106 661219625 /nfs/dbraw/zinc/21/96/25/661219625.db2.gz KVFZADSLRVWLTM-RTBURBONSA-N 0 3 324.468 3.007 20 30 DGEDHN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)CC#N ZINC000931166062 656178751 /nfs/dbraw/zinc/17/87/51/656178751.db2.gz XSLORAJNASSTDI-OAHLLOKOSA-N 0 3 314.351 3.438 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974583129 656215502 /nfs/dbraw/zinc/21/55/02/656215502.db2.gz NWJMHRQSYPSIJC-CVEARBPZSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000974584737 656215748 /nfs/dbraw/zinc/21/57/48/656215748.db2.gz CSFVYWWSXWVCPV-BZSNNMDCSA-N 0 3 312.457 3.193 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(Cl)c2C)C(C)(C)C1 ZINC000974622879 656218232 /nfs/dbraw/zinc/21/82/32/656218232.db2.gz SLPBQTSUXQXDSZ-MRXNPFEDSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3c2CCCC3)C(C)(C)C1 ZINC000974626007 656218252 /nfs/dbraw/zinc/21/82/52/656218252.db2.gz XXOFJUPOVBCZCY-LJQANCHMSA-N 0 3 324.468 3.029 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2scnc2CC)C(C)(C)C1 ZINC000974658077 656219951 /nfs/dbraw/zinc/21/99/51/656219951.db2.gz UUPZEAWVPLNIPE-CQSZACIVSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC000974678481 656221862 /nfs/dbraw/zinc/22/18/62/656221862.db2.gz BNRPWUDTFSDGRE-KRWDZBQOSA-N 0 3 315.461 3.081 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C(C)(C)C1 ZINC000974722128 656225339 /nfs/dbraw/zinc/22/53/39/656225339.db2.gz CXHQLHNVDYFYQY-ARFHVFGLSA-N 0 3 318.486 3.254 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(C(C)C)c2)C(C)(C)C1 ZINC000974779106 656228983 /nfs/dbraw/zinc/22/89/83/656228983.db2.gz 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ZINC001027506772 656322773 /nfs/dbraw/zinc/32/27/73/656322773.db2.gz BKLVUSTYGNSKBS-MRXNPFEDSA-N 0 3 324.424 3.219 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC000977341409 656323459 /nfs/dbraw/zinc/32/34/59/656323459.db2.gz HCIRNHVJILGCAQ-YOEHRIQHSA-N 0 3 318.436 3.332 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977459071 656332053 /nfs/dbraw/zinc/33/20/53/656332053.db2.gz DLNNUNQKNFBQAC-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(c3ccccc3)CC2)C(C)(C)C1 ZINC000977555810 656342078 /nfs/dbraw/zinc/34/20/78/656342078.db2.gz HUMPOXGYFGRZOY-KRWDZBQOSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C23CCC(CC2)CC3)C(C)(C)C1 ZINC000977603115 656346902 /nfs/dbraw/zinc/34/69/02/656346902.db2.gz KTDRFQTVOPEVBV-KOHRHEQBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C23CCC(CC2)CC3)C(C)(C)C1 ZINC000977603116 656346964 /nfs/dbraw/zinc/34/69/64/656346964.db2.gz KTDRFQTVOPEVBV-WUJZJPHMSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977644806 656351467 /nfs/dbraw/zinc/35/14/67/656351467.db2.gz HEGHUPMNMBJVFY-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cnc(C(C)C)s2)C(C)(C)C1 ZINC000977669140 656354735 /nfs/dbraw/zinc/35/47/35/656354735.db2.gz HFRNSWMHUJMMOH-CQSZACIVSA-N 0 3 321.490 3.283 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001009778937 656362989 /nfs/dbraw/zinc/36/29/89/656362989.db2.gz NGRGOJUYKHFNCY-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001027599929 656371157 /nfs/dbraw/zinc/37/11/57/656371157.db2.gz STIBFAJCPBJBMT-WMZOPIPTSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001027603458 656372646 /nfs/dbraw/zinc/37/26/46/656372646.db2.gz LAYBTRQTNCRAOD-MOPGFXCFSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC001027636727 656381960 /nfs/dbraw/zinc/38/19/60/656381960.db2.gz GKHRSCVHYKNAJO-INIZCTEOSA-N 0 3 312.438 3.071 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc3[nH]ccc3s2)CC1 ZINC001006340358 661257061 /nfs/dbraw/zinc/25/70/61/661257061.db2.gz POSVLBVNODGBRJ-UHFFFAOYSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2c(C)csc2Cl)CC1 ZINC001006347903 661257486 /nfs/dbraw/zinc/25/74/86/661257486.db2.gz KFUSLAJMJRNNRP-UHFFFAOYSA-N 0 3 312.866 3.432 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001027694860 656398478 /nfs/dbraw/zinc/39/84/78/656398478.db2.gz JYWYPJYEAMMUSN-APWZRJJASA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccc(C)o3)C[C@H]2C1 ZINC000979489355 656431899 /nfs/dbraw/zinc/43/18/99/656431899.db2.gz LEEGFMCBFXOIMH-KKUMJFAQSA-N 0 3 322.836 3.171 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001052388942 656432757 /nfs/dbraw/zinc/43/27/57/656432757.db2.gz MRABTFWUWGYQKY-YESZJQIVSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC001052427036 656435641 /nfs/dbraw/zinc/43/56/41/656435641.db2.gz WKFSQHRYNXXMEM-LJQANCHMSA-N 0 3 310.441 3.172 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3CC(C)(C)C3)C[C@@H]2C1 ZINC000979661505 656440300 /nfs/dbraw/zinc/44/03/00/656440300.db2.gz OUNYJPZJCKNUOY-LZWOXQAQSA-N 0 3 324.896 3.392 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cc3ccccc3s2)CC1 ZINC001052534573 656442139 /nfs/dbraw/zinc/44/21/39/656442139.db2.gz MPNFUTDALCFCDC-HNNXBMFYSA-N 0 3 312.438 3.119 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(CCCC)cc2)CC1 ZINC001052540844 656443147 /nfs/dbraw/zinc/44/31/47/656443147.db2.gz OEQFWBWQXOSZPD-LJQANCHMSA-N 0 3 312.457 3.247 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C)c(Cl)c2F)CC1 ZINC001052587687 656446811 /nfs/dbraw/zinc/44/68/11/656446811.db2.gz QLIOSGDZFVPSBB-ZDUSSCGKSA-N 0 3 322.811 3.005 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C3CCC3)cc2)CC1 ZINC001052602002 656447980 /nfs/dbraw/zinc/44/79/80/656447980.db2.gz ZEWGSHBPVUOGRB-HXUWFJFHSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC001052601847 656448091 /nfs/dbraw/zinc/44/80/91/656448091.db2.gz VWVLNAJLEMOLNN-INIZCTEOSA-N 0 3 323.440 3.002 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2occc2C(C)C)CC1 ZINC001052652131 656452968 /nfs/dbraw/zinc/45/29/68/656452968.db2.gz UAMIGIKKKOBIOP-OAHLLOKOSA-N 0 3 302.418 3.011 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001039350401 656487238 /nfs/dbraw/zinc/48/72/38/656487238.db2.gz JBQGVKBTWMYCOY-WKULXVSPSA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CC=CCC1 ZINC001039380532 656490213 /nfs/dbraw/zinc/49/02/13/656490213.db2.gz ZZFPMPFLQPJEJH-AOIWGVFYSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000980366405 656493523 /nfs/dbraw/zinc/49/35/23/656493523.db2.gz KKKIXUKZXMGFPY-INIZCTEOSA-N 0 3 311.429 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)oc(C)c1C ZINC001039402868 656494234 /nfs/dbraw/zinc/49/42/34/656494234.db2.gz WEEVROILJBUHIB-SJORKVTESA-N 0 3 316.445 3.460 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)cc1 ZINC001039402527 656494244 /nfs/dbraw/zinc/49/42/44/656494244.db2.gz BOGFSBOVHURLOC-MOPGFXCFSA-N 0 3 312.457 3.179 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCC1 ZINC001039410651 656494798 /nfs/dbraw/zinc/49/47/98/656494798.db2.gz SQAVHWJCAAZNAQ-SJORKVTESA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC1(F)F ZINC001039424696 656498877 /nfs/dbraw/zinc/49/88/77/656498877.db2.gz DWVCHNAARHLHAD-ZNMIVQPWSA-N 0 3 312.404 3.063 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001039425901 656499283 /nfs/dbraw/zinc/49/92/83/656499283.db2.gz DCLXXGMAIMUVKW-MOPGFXCFSA-N 0 3 312.457 3.179 20 30 DGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1cc2ccncc2s1 ZINC001027929053 656500297 /nfs/dbraw/zinc/50/02/97/656500297.db2.gz AJZVYUWXMPUFDW-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC000980416501 656502283 /nfs/dbraw/zinc/50/22/83/656502283.db2.gz YWNQRPBSWJRQPH-SFHVURJKSA-N 0 3 312.457 3.054 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cccc1C ZINC001039442205 656502470 /nfs/dbraw/zinc/50/24/70/656502470.db2.gz SLKCSYOUTFIFEQ-MSOLQXFVSA-N 0 3 310.441 3.006 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1ccn2C ZINC001039453114 656505555 /nfs/dbraw/zinc/50/55/55/656505555.db2.gz IZZJTCQXBPQSBP-CVEARBPZSA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(CC(C)C)s1 ZINC001027938190 656508361 /nfs/dbraw/zinc/50/83/61/656508361.db2.gz VAFSZFWHIKMAAO-HNNXBMFYSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1C ZINC001039473683 656510481 /nfs/dbraw/zinc/51/04/81/656510481.db2.gz YDUKCCLKOXNFRW-OTWHNJEPSA-N 0 3 324.468 3.187 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000980572806 656525818 /nfs/dbraw/zinc/52/58/18/656525818.db2.gz QUBIDOPJQCHEBV-ZDUSSCGKSA-N 0 3 318.804 3.419 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCCCC2 ZINC001027953719 656530161 /nfs/dbraw/zinc/53/01/61/656530161.db2.gz SDDDOAZUWPNTIR-KRWDZBQOSA-N 0 3 312.457 3.336 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039897130 656540647 /nfs/dbraw/zinc/54/06/47/656540647.db2.gz VIGFDMDYRFBPSQ-ZIFCJYIRSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3sccc3C)C2)C1 ZINC001040033278 656554301 /nfs/dbraw/zinc/55/43/01/656554301.db2.gz BKNGAOVLAMQJRW-QGZVFWFLSA-N 0 3 304.459 3.171 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)C3CCCCC3)C[C@@H]2C1 ZINC001049113697 656562961 /nfs/dbraw/zinc/56/29/61/656562961.db2.gz QFRGDEGROJEMGJ-YTQUADARSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cscc3C)C2)C1 ZINC001040143366 656564937 /nfs/dbraw/zinc/56/49/37/656564937.db2.gz XOJCQTIBQXALDZ-KRWDZBQOSA-N 0 3 304.459 3.171 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001049171745 656567745 /nfs/dbraw/zinc/56/77/45/656567745.db2.gz QHVIACVNPQQVNS-OKZBNKHCSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@]3(C)CC=CCC3)C2)C1 ZINC001040221628 656570250 /nfs/dbraw/zinc/57/02/50/656570250.db2.gz UCYYOMAJTJAVOH-UXHICEINSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccoc3C3CC3)C2)C1 ZINC001040355950 656580147 /nfs/dbraw/zinc/58/01/47/656580147.db2.gz ZZOKIPVYEABYAT-IBGZPJMESA-N 0 3 314.429 3.271 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3ccccc3CC)C2)C1 ZINC001040356910 656580451 /nfs/dbraw/zinc/58/04/51/656580451.db2.gz NHOIDDRLHROYBR-NRFANRHFSA-N 0 3 324.468 3.200 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001040469991 656590356 /nfs/dbraw/zinc/59/03/56/656590356.db2.gz GAIPFZWJEWUFDC-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001049290631 656591188 /nfs/dbraw/zinc/59/11/88/656591188.db2.gz FDDHYMKKRKUFBM-RTBURBONSA-N 0 3 323.440 3.090 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3CCC=CCC3)C2)C1 ZINC001040536438 656594875 /nfs/dbraw/zinc/59/48/75/656594875.db2.gz XDGPAPVANPXELW-HXUWFJFHSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000947725912 656608671 /nfs/dbraw/zinc/60/86/71/656608671.db2.gz FTXQUSMGKPZFKH-GOEBONIOSA-N 0 3 315.461 3.282 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)c3cccc(C)c3)C2)CC1 ZINC001040868836 656612004 /nfs/dbraw/zinc/61/20/04/656612004.db2.gz ZLUGRPGWOSZRJJ-SFHVURJKSA-N 0 3 324.468 3.046 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cscc1C ZINC001049400715 656613469 /nfs/dbraw/zinc/61/34/69/656613469.db2.gz JRRQAQPLQBQZPA-JKSUJKDBSA-N 0 3 304.459 3.312 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)c3csc(C)c3)C2)CC1 ZINC001040883164 656613820 /nfs/dbraw/zinc/61/38/20/656613820.db2.gz ZLVMTGMNQATXEV-UHFFFAOYSA-N 0 3 316.470 3.008 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@]3(CC)C(C)C)C2)CC1 ZINC001040902522 656614337 /nfs/dbraw/zinc/61/43/37/656614337.db2.gz VCXMBLUNUNHBRA-FXAWDEMLSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)CC1 ZINC001040919968 656614571 /nfs/dbraw/zinc/61/45/71/656614571.db2.gz ZIYOHLITGSKUDQ-GOSISDBHSA-N 0 3 324.468 3.046 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1(C)CCCC1 ZINC001049463235 656624812 /nfs/dbraw/zinc/62/48/12/656624812.db2.gz YRHALMJHUAYGSZ-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC=CCCC1 ZINC001049546766 656638316 /nfs/dbraw/zinc/63/83/16/656638316.db2.gz SRAIYEPEVUWRRZ-GBESFXJTSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1cccc(C(C)C)c1 ZINC001049567799 656642163 /nfs/dbraw/zinc/64/21/63/656642163.db2.gz OYIVDOHFWXSKBM-PMACEKPBSA-N 0 3 324.468 3.051 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1(C)CCCCC1 ZINC001049581194 656645057 /nfs/dbraw/zinc/64/50/57/656645057.db2.gz DMEKVSIFMDLMKD-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc4ccccc4s3)C2)C1 ZINC001041450944 656646988 /nfs/dbraw/zinc/64/69/88/656646988.db2.gz YUFYYGUEASNKHI-IBGZPJMESA-N 0 3 324.449 3.073 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC2(CC2)CC1 ZINC001049600148 656647603 /nfs/dbraw/zinc/64/76/03/656647603.db2.gz XSCJULWVNWBROS-SJORKVTESA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001049611414 656649272 /nfs/dbraw/zinc/64/92/72/656649272.db2.gz GFYUWGUIDZLTMI-JCECYMMASA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622408 656651367 /nfs/dbraw/zinc/65/13/67/656651367.db2.gz URCLJYCBKBEXPT-HOTGVXAUSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1cccs1 ZINC001049632720 656653012 /nfs/dbraw/zinc/65/30/12/656653012.db2.gz ARWVROQWMAJQIQ-LSDHHAIUSA-N 0 3 318.486 3.277 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028064867 656659598 /nfs/dbraw/zinc/65/95/98/656659598.db2.gz TZDDRDUHCHXMOF-MRXNPFEDSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049670347 656661583 /nfs/dbraw/zinc/66/15/83/656661583.db2.gz DRONCDQNLKFVBH-DLBZAZTESA-N 0 3 314.429 3.412 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001028073297 656664290 /nfs/dbraw/zinc/66/42/90/656664290.db2.gz PZDISJQZYNOSLE-HNNXBMFYSA-N 0 3 311.429 3.165 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001028073625 656665713 /nfs/dbraw/zinc/66/57/13/656665713.db2.gz SXYUXKAAMBNBHJ-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1CC ZINC001049694404 656667275 /nfs/dbraw/zinc/66/72/75/656667275.db2.gz CQRVXSUCNTVERE-HOTGVXAUSA-N 0 3 302.418 3.097 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1Cl ZINC001049700422 656669255 /nfs/dbraw/zinc/66/92/55/656669255.db2.gz VZCDJTHKYKVAAN-KGLIPLIRSA-N 0 3 308.809 3.188 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)c3ccccc3C)C2)C1 ZINC001041723538 656669835 /nfs/dbraw/zinc/66/98/35/656669835.db2.gz ISFUCXSEEUEAOB-WIYYLYMNSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@@H](CC)C2CCC(C)CC2)CC1 ZINC000981300666 656674191 /nfs/dbraw/zinc/67/41/91/656674191.db2.gz WPQYDLLHNGITSX-ACBHZAAOSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC(F)(F)CC1 ZINC001049750428 656679505 /nfs/dbraw/zinc/67/95/05/656679505.db2.gz WQYFLXHXCKLAIH-GJZGRUSLSA-N 0 3 312.404 3.063 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)CCC3CCCCC3)C2)C1 ZINC001041810250 656679870 /nfs/dbraw/zinc/67/98/70/656679870.db2.gz BJDSBWLVZNQELK-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc([C@@H](C)CC)cc3)C2)C1 ZINC001041845973 656685427 /nfs/dbraw/zinc/68/54/27/656685427.db2.gz UMYJEKSTJKVTEE-LAUBAEHRSA-N 0 3 324.468 3.371 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc([C@H](C)CC)cc3)C2)C1 ZINC001041845972 656685879 /nfs/dbraw/zinc/68/58/79/656685879.db2.gz UMYJEKSTJKVTEE-DYESRHJHSA-N 0 3 324.468 3.371 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCCC3(C)C)C2)C1 ZINC001041849788 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C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(F)cc(F)c1 ZINC001049874869 656708477 /nfs/dbraw/zinc/70/84/77/656708477.db2.gz BNNNDDPFPIQPPM-IAGOWNOFSA-N 0 3 320.383 3.220 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc2cnccc21 ZINC001049902392 656717626 /nfs/dbraw/zinc/71/76/26/656717626.db2.gz SXBORNCQRQMBDQ-MOPGFXCFSA-N 0 3 321.424 3.100 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C2CC2)cc1 ZINC001049906017 656718289 /nfs/dbraw/zinc/71/82/89/656718289.db2.gz CLCVGXHALMATQW-VQTJNVASSA-N 0 3 322.452 3.266 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3csc(C)c3C)C[C@H]21 ZINC001042075113 656719284 /nfs/dbraw/zinc/71/92/84/656719284.db2.gz AOLAODRQYRDOJH-GDBMZVCRSA-N 0 3 304.459 3.087 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(c2cccc(C)c2)CC1 ZINC001049914071 656720811 /nfs/dbraw/zinc/72/08/11/656720811.db2.gz MCIMPTSDIKNOAJ-OALUTQOASA-N 0 3 324.468 3.278 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC(C)(C)CC1 ZINC001049914142 656721286 /nfs/dbraw/zinc/72/12/86/656721286.db2.gz 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C=CCN1CC[C@@H]2CCN(C(=O)Cc3ccc(Cl)s3)C[C@@H]21 ZINC001042258843 656746267 /nfs/dbraw/zinc/74/62/67/656746267.db2.gz QCVDPQDGTUXMFD-OCCSQVGLSA-N 0 3 324.877 3.053 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001052676658 656746643 /nfs/dbraw/zinc/74/66/43/656746643.db2.gz IQXFSGDNIJWRAM-WMLDXEAASA-N 0 3 318.848 3.047 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CCC(F)(F)F)CC2)C1 ZINC001052693488 656749908 /nfs/dbraw/zinc/74/99/08/656749908.db2.gz UQTLSXWWUJNXED-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(CC)c(CC)o3)C[C@H]21 ZINC001042313024 656750248 /nfs/dbraw/zinc/75/02/48/656750248.db2.gz HDIAURQFPGATSS-JKSUJKDBSA-N 0 3 316.445 3.127 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C(F)F)c3)C[C@H]21 ZINC001042316829 656751771 /nfs/dbraw/zinc/75/17/71/656751771.db2.gz UCLBHNHSWFROGF-XJKSGUPXSA-N 0 3 320.383 3.347 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@@H]21 ZINC001042322349 656752971 /nfs/dbraw/zinc/75/29/71/656752971.db2.gz 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C=CCN1CCCC2(CN(C(=O)c3ccccc3Cl)C2)C1 ZINC000982126204 656901086 /nfs/dbraw/zinc/90/10/86/656901086.db2.gz NABKSVWNTDPVIZ-UHFFFAOYSA-N 0 3 304.821 3.064 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)Cc3sc(C)cc3C)C2)C1 ZINC000982133127 656903294 /nfs/dbraw/zinc/90/32/94/656903294.db2.gz CAHNCZTWKHLLHZ-UHFFFAOYSA-N 0 3 318.486 3.018 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc4cc(C)ccc4o3)C2)C1 ZINC000982161946 656905244 /nfs/dbraw/zinc/90/52/44/656905244.db2.gz FXQDFUSPAKMMJJ-UHFFFAOYSA-N 0 3 324.424 3.465 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C34CCC(CC3)CC4)C2)C1 ZINC000982159845 656908108 /nfs/dbraw/zinc/90/81/08/656908108.db2.gz NVYVCTALAWPCNT-UHFFFAOYSA-N 0 3 302.462 3.067 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1CCCCCC1)C2 ZINC001054098282 656910467 /nfs/dbraw/zinc/91/04/67/656910467.db2.gz PLXKSQCBHJGPML-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccc(C)s3)C[C@]2(C)C1 ZINC000982191807 656912894 /nfs/dbraw/zinc/91/28/94/656912894.db2.gz MZBHPPNBEVPDRG-CALCHBBNSA-N 0 3 304.459 3.027 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C)CCCCCC1)C2 ZINC001054146291 656919998 /nfs/dbraw/zinc/91/99/98/656919998.db2.gz HOGWITHHRNLCTM-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000982226915 656921235 /nfs/dbraw/zinc/92/12/35/656921235.db2.gz DJMPYCXSIHFWSA-QZTJIDSGSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)c1cccc(C)c1)C2 ZINC001054207351 656938765 /nfs/dbraw/zinc/93/87/65/656938765.db2.gz WSNVUXRFYGGVNF-GHTZIAJQSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C3(C)CCCCCC3)C[C@]2(C)C1 ZINC000982298996 656941632 /nfs/dbraw/zinc/94/16/32/656941632.db2.gz TUTZNDLCDCTYAP-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C)cc1C)C2 ZINC001054236273 656944429 /nfs/dbraw/zinc/94/44/29/656944429.db2.gz IZRYHQFLAUUBFT-NRFANRHFSA-N 0 3 324.468 3.255 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CC)CCCCC1)C2 ZINC001054244521 656946839 /nfs/dbraw/zinc/94/68/39/656946839.db2.gz WKMSJGNFAHMHLY-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001054244315 656947158 /nfs/dbraw/zinc/94/71/58/656947158.db2.gz UJMODGWVGUWWSL-UXHICEINSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C3CC3)c1)C2 ZINC001054246284 656947247 /nfs/dbraw/zinc/94/72/47/656947247.db2.gz UKXHHURRZLRZME-OAQYLSRUSA-N 0 3 322.452 3.125 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001028263299 656952097 /nfs/dbraw/zinc/95/20/97/656952097.db2.gz NXMKCMBHVJKWPE-IBGZPJMESA-N 0 3 310.441 3.416 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3cc[nH]c3C)cc2C1 ZINC001054260324 656952928 /nfs/dbraw/zinc/95/29/28/656952928.db2.gz KESHWYBDMJAACF-UHFFFAOYSA-N 0 3 309.413 3.145 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3c[nH]c4ccccc43)C[C@]2(C)C1 ZINC000982344628 656954448 /nfs/dbraw/zinc/95/44/48/656954448.db2.gz GWTCANPIIKIKLA-BGYRXZFFSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001028274406 656959215 /nfs/dbraw/zinc/95/92/15/656959215.db2.gz BTDRNCQYVYWPPR-OAHLLOKOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3cccnc3C)cc2C1 ZINC001054279984 656960106 /nfs/dbraw/zinc/96/01/06/656960106.db2.gz VFFHDWRJHHHQQA-UHFFFAOYSA-N 0 3 321.424 3.212 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3cc(C)[nH]c3C)cc2C1 ZINC001054284191 656961098 /nfs/dbraw/zinc/96/10/98/656961098.db2.gz IDFHJSZKHVNTGZ-UHFFFAOYSA-N 0 3 323.440 3.453 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001039003267 656974651 /nfs/dbraw/zinc/97/46/51/656974651.db2.gz AZHHPMVKLBQWRJ-GOSISDBHSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccsc1C(F)F ZINC001028292864 656978495 /nfs/dbraw/zinc/97/84/95/656978495.db2.gz ZTSFUJLKMIRWHA-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001028333919 656995413 /nfs/dbraw/zinc/99/54/13/656995413.db2.gz PVMZIFZFIAZXRT-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2nsc3ccccc32)CC1 ZINC001045449819 657024488 /nfs/dbraw/zinc/02/44/88/657024488.db2.gz QEMNHLOKGAWTFK-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001054977471 657027855 /nfs/dbraw/zinc/02/78/55/657027855.db2.gz YEJCLVCNEWIJMY-MLGOLLRUSA-N 0 3 322.399 3.114 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC001045478008 657028271 /nfs/dbraw/zinc/02/82/71/657028271.db2.gz MBROPKIAWVMTJI-IBGZPJMESA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC001045477358 657028484 /nfs/dbraw/zinc/02/84/84/657028484.db2.gz CHKNIARFZUPUBE-SFHVURJKSA-N 0 3 312.457 3.263 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001045486075 657028886 /nfs/dbraw/zinc/02/88/86/657028886.db2.gz IJQHKUVFBUDPIS-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001045495993 657029940 /nfs/dbraw/zinc/02/99/40/657029940.db2.gz MMPFTFBDWOTLNT-CVEARBPZSA-N 0 3 304.478 3.382 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3(C)CCCCC3)C[C@]2(C)C1 ZINC000982513849 657030518 /nfs/dbraw/zinc/03/05/18/657030518.db2.gz TWRLDEYDKJGEMZ-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCc3cc(F)ccc32)CC1 ZINC001045505457 657030945 /nfs/dbraw/zinc/03/09/45/657030945.db2.gz GWLWTYHROLDXAZ-KRWDZBQOSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2csc(C(C)C)n2)CC1 ZINC001045586476 657040461 /nfs/dbraw/zinc/04/04/61/657040461.db2.gz HHICANAPHGKBSL-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2cc(Cl)ccc2C)CC1 ZINC001045589047 657040701 /nfs/dbraw/zinc/04/07/01/657040701.db2.gz HOHDRWWWMWNBSU-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc3cccnc3s2)CC1 ZINC001045607633 657042540 /nfs/dbraw/zinc/04/25/40/657042540.db2.gz UXIFJJFPBOPODS-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C(CC)(CC)CC)C[C@]2(C)C1 ZINC000982678466 657078096 /nfs/dbraw/zinc/07/80/96/657078096.db2.gz FNFSGZJZTLTESZ-HDICACEKSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccc(C(C)C)cc3)C[C@]2(C)C1 ZINC000982756111 657086088 /nfs/dbraw/zinc/08/60/88/657086088.db2.gz ASMPWPPPZFECOV-OYRHEFFESA-N 0 3 324.468 3.227 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC1CCCC1)C2 ZINC001045910079 657087014 /nfs/dbraw/zinc/08/70/14/657087014.db2.gz QFYFKYRUFAIFDP-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1sccc1C)C2 ZINC001045910359 657087466 /nfs/dbraw/zinc/08/74/66/657087466.db2.gz UPZVNKLVKOYVIN-SFHVURJKSA-N 0 3 316.470 3.008 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)c3ccc(C)s3)CC2)CC1 ZINC001000054721 657088433 /nfs/dbraw/zinc/08/84/33/657088433.db2.gz DOQGFIDWZHFMII-UHFFFAOYSA-N 0 3 316.470 3.054 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001000091848 657093529 /nfs/dbraw/zinc/09/35/29/657093529.db2.gz KPYMKPDHEBGADM-VQIMIIECSA-N 0 3 315.461 3.073 20 30 DGEDHN CS[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178878981 657094937 /nfs/dbraw/zinc/09/49/37/657094937.db2.gz KPEKLZQDJABVTP-SKDRFNHKSA-N 0 3 310.806 3.129 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)C(=C)Cl)C2 ZINC001045942265 657100715 /nfs/dbraw/zinc/10/07/15/657100715.db2.gz URCLUMLZKIGEEY-SFHVURJKSA-N 0 3 322.880 3.103 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)CC)C2 ZINC001045960768 657106630 /nfs/dbraw/zinc/10/66/30/657106630.db2.gz SASAXOVNQUWOPH-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCC(C)(C)C3)CC2)CC1 ZINC001000251468 657106818 /nfs/dbraw/zinc/10/68/18/657106818.db2.gz BPWBTPYEYXRWRM-INIZCTEOSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC001000248766 657106896 /nfs/dbraw/zinc/10/68/96/657106896.db2.gz LISZKULVEUWUNY-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001045964452 657107629 /nfs/dbraw/zinc/10/76/29/657107629.db2.gz IHWJNYCBLNMZQZ-PXNSSMCTSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001045964453 657107768 /nfs/dbraw/zinc/10/77/68/657107768.db2.gz IHWJNYCBLNMZQZ-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001045970844 657110034 /nfs/dbraw/zinc/11/00/34/657110034.db2.gz JXLMENJSEFSKRZ-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC001000683101 657142251 /nfs/dbraw/zinc/14/22/51/657142251.db2.gz NRCNZACLRBCHPH-MOPGFXCFSA-N 0 3 324.468 3.361 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2coc(C3CCCC3)n2)CC1 ZINC000983131995 657147495 /nfs/dbraw/zinc/14/74/95/657147495.db2.gz GKFILRJPCUEKOC-UHFFFAOYSA-N 0 3 317.433 3.056 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046338262 657149070 /nfs/dbraw/zinc/14/90/70/657149070.db2.gz RFWGJWHGKGQNNY-QGZVFWFLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCN1CC[C@](C)(NC(=O)c2cc3ccncc3s2)C1 ZINC001046377381 657155781 /nfs/dbraw/zinc/15/57/81/657155781.db2.gz 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CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC001050073112 657244970 /nfs/dbraw/zinc/24/49/70/657244970.db2.gz XKGSRKPDWVMFOT-GBESFXJTSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc4ccc(C)cc4[nH]3)[C@@H]2C1 ZINC001050103803 657250430 /nfs/dbraw/zinc/25/04/30/657250430.db2.gz CCQGLDYYJDOLOF-QFBILLFUSA-N 0 3 323.440 3.199 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)[C@@H]2C1 ZINC001050150223 657259744 /nfs/dbraw/zinc/25/97/44/657259744.db2.gz QEVULWLQSMLROO-BSDSXHPESA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc4c(c3)C=CCC4)[C@@H]2C1 ZINC001050160506 657261579 /nfs/dbraw/zinc/26/15/79/657261579.db2.gz GAQBJOWUXLFZEH-VQTJNVASSA-N 0 3 322.452 3.368 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001050183935 657265310 /nfs/dbraw/zinc/26/53/10/657265310.db2.gz CGLOPVPOPFYBTM-YZGWKJHDSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC=C4)[C@@H]2C1 ZINC001050184577 657265856 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CC#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001047258658 657288313 /nfs/dbraw/zinc/28/83/13/657288313.db2.gz GFBMQZMPFSWINY-HKUYNNGSSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001047929118 657334278 /nfs/dbraw/zinc/33/42/78/657334278.db2.gz POUVYOKSAKENLV-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@@]3(CC)C(C)C)C2)CC1 ZINC001050715744 657346935 /nfs/dbraw/zinc/34/69/35/657346935.db2.gz UEQXKGCRNPDIHV-PXNSSMCTSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)c3cocc3C)cccc2C1 ZINC001051297203 657383106 /nfs/dbraw/zinc/38/31/06/657383106.db2.gz HBVXBWZCLFHYIV-UHFFFAOYSA-N 0 3 324.424 3.452 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968365294 657395191 /nfs/dbraw/zinc/39/51/91/657395191.db2.gz MGMWSQJIJKSELI-RHSMWYFYSA-N 0 3 316.445 3.020 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cscc2C(F)F)C[C@@H]1C ZINC000947318542 657401891 /nfs/dbraw/zinc/40/18/91/657401891.db2.gz 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CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C[C@@H]1C ZINC000948078910 661949311 /nfs/dbraw/zinc/94/93/11/661949311.db2.gz QFXSSZYZXIMZNX-HOTGVXAUSA-N 0 3 323.440 3.082 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C ZINC000948095357 661950702 /nfs/dbraw/zinc/95/07/02/661950702.db2.gz VVCGRVZJWWVMNJ-HUUCEWRRSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2sccc2C)CC1 ZINC000948151646 661955467 /nfs/dbraw/zinc/95/54/67/661955467.db2.gz FYRFLQPJJABVQU-HNNXBMFYSA-N 0 3 304.459 3.006 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076074489 661966657 /nfs/dbraw/zinc/96/66/57/661966657.db2.gz ZHLHCCJYBCUULS-INIZCTEOSA-N 0 3 318.461 3.417 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076074489 661966659 /nfs/dbraw/zinc/96/66/59/661966659.db2.gz ZHLHCCJYBCUULS-INIZCTEOSA-N 0 3 318.461 3.417 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC000948474571 661977648 /nfs/dbraw/zinc/97/76/48/661977648.db2.gz 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C=CCN1C[C@H](NC(=O)Cc2c(C)cc(C)cc2C)CC[C@H]1C ZINC001071792988 686756093 /nfs/dbraw/zinc/75/60/93/686756093.db2.gz SHUVRCKWIGMAHF-QZTJIDSGSA-N 0 3 314.473 3.309 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2C2(C)CC2)CC[C@@H]1C ZINC001071821073 686760959 /nfs/dbraw/zinc/76/09/59/686760959.db2.gz IWDJITGEWIVJBX-IRXDYDNUSA-N 0 3 324.468 3.344 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3cc[nH]c32)CC[C@@H]1C ZINC001071835648 686765346 /nfs/dbraw/zinc/76/53/46/686765346.db2.gz OPCOTWPAINZUCC-GOEBONIOSA-N 0 3 311.429 3.327 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)cc2Cl)CC[C@H]1C ZINC001071836864 686766464 /nfs/dbraw/zinc/76/64/64/686766464.db2.gz YAJXQHMDLMKZNT-HUUCEWRRSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(F)c2Cl)CC[C@@H]1C ZINC001071841026 686767179 /nfs/dbraw/zinc/76/71/79/686767179.db2.gz OWPQPDNHHOCDSC-STQMWFEESA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cccc2C)CC[C@@H]1C ZINC001071845263 686769707 /nfs/dbraw/zinc/76/97/07/686769707.db2.gz 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C=C(C)CCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072113247 686873518 /nfs/dbraw/zinc/87/35/18/686873518.db2.gz RVKIBQGABXLNIU-CHWSQXEVSA-N 0 3 310.438 3.436 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(c3ccccc3C)CC2)CC[C@H]1C ZINC001072116719 686875388 /nfs/dbraw/zinc/87/53/88/686875388.db2.gz PXAYGLYIDLRTML-MSOLQXFVSA-N 0 3 324.468 3.019 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC[C@@H]1C ZINC001072120132 686875798 /nfs/dbraw/zinc/87/57/98/686875798.db2.gz PALLVWFBRHNUOT-GJZGRUSLSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001072850213 686970430 /nfs/dbraw/zinc/97/04/30/686970430.db2.gz SNWZCRUOUZRTPT-RTBURBONSA-N 0 3 324.468 3.291 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001072951568 686989919 /nfs/dbraw/zinc/98/99/19/686989919.db2.gz KZQTYXDKUALMGY-QGZVFWFLSA-N 0 3 318.486 3.385 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C)c4ccccc34)C2)C1 ZINC001073017439 687000057 /nfs/dbraw/zinc/00/00/57/687000057.db2.gz 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ZINC001076484869 687528514 /nfs/dbraw/zinc/52/85/14/687528514.db2.gz KCYWCOXANNQCHJ-JKSUJKDBSA-N 0 3 320.383 3.347 20 30 DGEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4ccccc4c3)[C@@H]2C1 ZINC001076495545 687530699 /nfs/dbraw/zinc/53/06/99/687530699.db2.gz KBGLYCGLOXNJHS-VQTJNVASSA-N 0 3 318.420 3.009 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)[C@@H]2C1 ZINC001076590734 687540897 /nfs/dbraw/zinc/54/08/97/687540897.db2.gz WEMXHFXOKZTLQJ-JLJPHGGASA-N 0 3 318.848 3.162 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccccc2F)C12CCC2 ZINC001078538690 687678676 /nfs/dbraw/zinc/67/86/76/687678676.db2.gz GWSPDEGRISDTRE-HUUCEWRRSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C12CCC2 ZINC001078592164 687687013 /nfs/dbraw/zinc/68/70/13/687687013.db2.gz ZHIXELFDJKVQOP-OLZOCXBDSA-N 0 3 324.896 3.438 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2c(C)coc2C)C12CCC2 ZINC001078616921 687689923 /nfs/dbraw/zinc/68/99/23/687689923.db2.gz DGDJVAXKDFYIFE-KGLIPLIRSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)cs2)C12CCC2 ZINC001078619106 687690544 /nfs/dbraw/zinc/69/05/44/687690544.db2.gz CJWCLOKBBTWMQZ-KBPBESRZSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2[nH]c(C)cc2C)C12CCC2 ZINC001078660475 687698950 /nfs/dbraw/zinc/69/89/50/687698950.db2.gz JHNGEBDBXJDYNE-KGLIPLIRSA-N 0 3 321.852 3.015 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CCCC2)C12CCC2 ZINC001078693133 687706035 /nfs/dbraw/zinc/70/60/35/687706035.db2.gz MKODSWNDEWPOSL-UONOGXRCSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(C)CCCC2)C12CCC2 ZINC001078693132 687706368 /nfs/dbraw/zinc/70/63/68/687706368.db2.gz MKODSWNDEWPOSL-KGLIPLIRSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001080074219 687917843 /nfs/dbraw/zinc/91/78/43/687917843.db2.gz KQYRSAHIJPWRCI-IAQYHMDHSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001080378738 687965099 /nfs/dbraw/zinc/96/50/99/687965099.db2.gz VPCUNZWORCAHFY-SJLPKXTDSA-N 0 3 323.440 3.104 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001080486681 687985118 /nfs/dbraw/zinc/98/51/18/687985118.db2.gz WKRVOFKGEGDILV-NVXWUHKLSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001080626188 688003996 /nfs/dbraw/zinc/00/39/96/688003996.db2.gz FMPZUZLGPOCXFS-JTDSTZFVSA-N 0 3 314.473 3.365 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001080817833 688013206 /nfs/dbraw/zinc/01/32/06/688013206.db2.gz MOIPQPUVZAOCLK-IUODEOHRSA-N 0 3 308.372 3.250 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC(C)C)C1 ZINC001080820237 688015306 /nfs/dbraw/zinc/01/53/06/688015306.db2.gz WLCDLNXOZXDSKI-NVXWUHKLSA-N 0 3 316.445 3.100 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001081001641 688033552 /nfs/dbraw/zinc/03/35/52/688033552.db2.gz XQUAGCVOLDEASK-SJLPKXTDSA-N 0 3 312.457 3.039 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc2nc(C)nn2c1 ZINC001577429993 1191901271 /nfs/dbraw/zinc/90/12/71/1191901271.db2.gz HAAIDWXXNXRYIU-OAHLLOKOSA-N 0 3 317.437 3.054 20 30 DGEDHN CN(C(=O)[C@H](N)CCCC#N)c1ccccc1-c1ccccc1 ZINC001578368344 1191939460 /nfs/dbraw/zinc/93/94/60/1191939460.db2.gz MKBZVXPFGMZMCU-QGZVFWFLSA-N 0 3 307.397 3.338 20 30 DGEDHN Cc1cc2ccccc2c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC001579627077 1191983041 /nfs/dbraw/zinc/98/30/41/1191983041.db2.gz ZYLUQEOTNYUZCQ-NGEICVOHSA-N 0 3 319.408 3.226 20 30 DGEDHN Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H](N)CCCC#N ZINC001579648350 1191984293 /nfs/dbraw/zinc/98/42/93/1191984293.db2.gz OEBQUHAMDBASFE-MRXNPFEDSA-N 0 3 308.385 3.017 20 30 DGEDHN N[C@@H](CC1CC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001580124130 1192008092 /nfs/dbraw/zinc/00/80/92/1192008092.db2.gz CUIRNVURUGHLBB-KRWDZBQOSA-N 0 3 310.422 3.214 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(C)C ZINC001584868429 1192226782 /nfs/dbraw/zinc/22/67/82/1192226782.db2.gz JKNDPAUGCUCVOK-QZTJIDSGSA-N 0 3 300.446 3.163 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558951 1192449859 /nfs/dbraw/zinc/44/98/59/1192449859.db2.gz FVMFRMZDHPAMEU-GUTXKFCHSA-N 0 3 312.421 3.047 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558951 1192449862 /nfs/dbraw/zinc/44/98/62/1192449862.db2.gz FVMFRMZDHPAMEU-GUTXKFCHSA-N 0 3 312.421 3.047 20 30 DGEDHN C=CC[C@@H]1[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001588564414 1192450188 /nfs/dbraw/zinc/45/01/88/1192450188.db2.gz NCZGBKNJADDVSG-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@@H]1[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001588564414 1192450192 /nfs/dbraw/zinc/45/01/92/1192450192.db2.gz NCZGBKNJADDVSG-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@@H]1[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001588564414 1192450195 /nfs/dbraw/zinc/45/01/95/1192450195.db2.gz NCZGBKNJADDVSG-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@@H]1[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001588564414 1192450197 /nfs/dbraw/zinc/45/01/97/1192450197.db2.gz NCZGBKNJADDVSG-INIZCTEOSA-N 0 3 311.433 3.433 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588560129 1192450561 /nfs/dbraw/zinc/45/05/61/1192450561.db2.gz NPEZGGIPVFPHEI-DOTOQJQBSA-N 0 3 311.433 3.134 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588560129 1192450563 /nfs/dbraw/zinc/45/05/63/1192450563.db2.gz NPEZGGIPVFPHEI-DOTOQJQBSA-N 0 3 311.433 3.134 20 30 DGEDHN C=C(C)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001593683571 1192639630 /nfs/dbraw/zinc/63/96/30/1192639630.db2.gz MEHCOOPCYCASMQ-UHFFFAOYSA-N 0 3 319.497 3.072 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001687156399 1176034608 /nfs/dbraw/zinc/03/46/08/1176034608.db2.gz DPOGVBLVUKIKEA-INIZCTEOSA-N 0 3 321.440 3.330 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001691975921 1176078822 /nfs/dbraw/zinc/07/88/22/1176078822.db2.gz LSULCJKAXFVSSS-KGLIPLIRSA-N 0 3 320.399 3.321 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001671303895 1176199198 /nfs/dbraw/zinc/19/91/98/1176199198.db2.gz ULOXEYBRJGJBGL-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1CCCc1ccc(C)cc1 ZINC001670672357 1176210421 /nfs/dbraw/zinc/21/04/21/1176210421.db2.gz LMWGCOXHZYGFPZ-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001670719021 1176231614 /nfs/dbraw/zinc/23/16/14/1176231614.db2.gz IKYFRVMTXCQXSA-KRWDZBQOSA-N 0 3 319.493 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001670724280 1176235347 /nfs/dbraw/zinc/23/53/47/1176235347.db2.gz GUPYZQLKYCPZFG-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN C[C@@H](N[C@@H]1C[C@H](CNC(=O)[C@@H](C)C#N)C1)c1ccccc1Cl ZINC001691087307 1176302246 /nfs/dbraw/zinc/30/22/46/1176302246.db2.gz MNYAKIZQUQRMMG-RFQIPJPRSA-N 0 3 319.836 3.045 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001691143388 1176335935 /nfs/dbraw/zinc/33/59/35/1176335935.db2.gz PNKPLMJUWPXVTF-OAHLLOKOSA-N 0 3 318.486 3.455 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)C)Cc1cc(C)sc1C ZINC001691179088 1176360271 /nfs/dbraw/zinc/36/02/71/1176360271.db2.gz CHBBBBHTXZEERA-UHFFFAOYSA-N 0 3 320.502 3.353 20 30 DGEDHN CCCN(CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ccc(F)c(F)c1 ZINC001691177862 1176362275 /nfs/dbraw/zinc/36/22/75/1176362275.db2.gz STOHNXLIXXBDCH-STQMWFEESA-N 0 3 323.387 3.014 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2sccc2s1 ZINC001691184078 1176367563 /nfs/dbraw/zinc/36/75/63/1176367563.db2.gz YYXUAXABTGKAKP-UHFFFAOYSA-N 0 3 320.483 3.428 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](CC)c1ccc(F)cc1)C1CC1 ZINC001691236377 1176407600 /nfs/dbraw/zinc/40/76/00/1176407600.db2.gz CASRLIRATUURIS-GOSISDBHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C=C1CCC1 ZINC001691294753 1176426996 /nfs/dbraw/zinc/42/69/96/1176426996.db2.gz MPGWYAJVPUDAJN-CZUORRHYSA-N 0 3 310.869 3.456 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001691804411 1176437073 /nfs/dbraw/zinc/43/70/73/1176437073.db2.gz WLBFVRSAOWCNOY-JCNLHEQBSA-N 0 3 316.420 3.004 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C=C)c1ccccc1 ZINC001691416720 1176475584 /nfs/dbraw/zinc/47/55/84/1176475584.db2.gz OTZOEDVCZPKPHU-HKUYNNGSSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001754495616 1176591788 /nfs/dbraw/zinc/59/17/88/1176591788.db2.gz OBIKBDZLZCVBEP-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCCC1CC1)C2 ZINC001754662352 1176657252 /nfs/dbraw/zinc/65/72/52/1176657252.db2.gz WPSIEEIFPDVWFD-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2cccc(Cl)c2o1 ZINC001752127723 1176669251 /nfs/dbraw/zinc/66/92/51/1176669251.db2.gz JSGVHKZFCWNGNH-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001752133098 1176674048 /nfs/dbraw/zinc/67/40/48/1176674048.db2.gz ZSXOKHGIWRGQDG-DOMZBBRYSA-N 0 3 310.825 3.313 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2ccccc2C(C)C)CC1 ZINC001670776485 1176813683 /nfs/dbraw/zinc/81/36/83/1176813683.db2.gz FWJIQGXCXRIMOK-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCC1(C(=O)N(C)[C@H](C)CNC[C@H](F)CC)CCCCC1 ZINC001753728044 1176942922 /nfs/dbraw/zinc/94/29/22/1176942922.db2.gz OGEIULYPYUWGTD-HZPDHXFCSA-N 0 3 310.457 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1CCCCCC1)C(C)C ZINC001753826497 1176959677 /nfs/dbraw/zinc/95/96/77/1176959677.db2.gz WXIYIMHNHLYLQU-HNNXBMFYSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1ccccc1C ZINC001753864347 1176980763 /nfs/dbraw/zinc/98/07/63/1176980763.db2.gz IIQFTFKQRVZMRT-QGZVFWFLSA-N 0 3 302.462 3.455 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@]2(C1)CN([C@H](C)CCC=C)CCO2 ZINC001755401041 1177027205 /nfs/dbraw/zinc/02/72/05/1177027205.db2.gz DPXVGJCNHBAQPO-MJGOQNOKSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cccc(F)c2F)[C@H]1CC ZINC001691521153 1177072084 /nfs/dbraw/zinc/07/20/84/1177072084.db2.gz GKKSDMQOPPDHQC-JKSUJKDBSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C[C@H](C(=O)NCC1(NCc2ccccc2)CC1)c1ccccc1 ZINC001670903365 1177523884 /nfs/dbraw/zinc/52/38/84/1177523884.db2.gz HPEJAHICSQZDJT-IBGZPJMESA-N 0 3 320.436 3.395 20 30 DGEDHN C=CCCC(=O)NC1(C)CCN(CCc2ccccc2F)CC1 ZINC001671402727 1177552800 /nfs/dbraw/zinc/55/28/00/1177552800.db2.gz BSBDAADXSOCLRU-UHFFFAOYSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001691665425 1177618126 /nfs/dbraw/zinc/61/81/26/1177618126.db2.gz DPVOSHJTMBRPTF-RSPOEFSDSA-N 0 3 324.468 3.071 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@H](C)NCc2nccs2)CC1 ZINC001691667165 1177621768 /nfs/dbraw/zinc/62/17/68/1177621768.db2.gz MNXAQVPOPBWPQQ-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(C)(CC)CC)C1 ZINC001691676016 1177674307 /nfs/dbraw/zinc/67/43/07/1177674307.db2.gz OHVGNGIPPQYFOQ-UONOGXRCSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)c1ccccc1 ZINC001691678596 1177681635 /nfs/dbraw/zinc/68/16/35/1177681635.db2.gz NZLYNLKITYUBBV-OALUTQOASA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001691682148 1177684117 /nfs/dbraw/zinc/68/41/17/1177684117.db2.gz ISZGLTPGGVHDOL-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001691684285 1177685050 /nfs/dbraw/zinc/68/50/50/1177685050.db2.gz YOGRLZHKMVGUAB-KRWDZBQOSA-N 0 3 304.409 3.269 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCc1ccc(C)s1 ZINC001691683998 1177685128 /nfs/dbraw/zinc/68/51/28/1177685128.db2.gz VVYCVROSKYFPTI-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001691683867 1177685765 /nfs/dbraw/zinc/68/57/65/1177685765.db2.gz UJQDLHMZHGIZCX-IUODEOHRSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)CCCC)C[C@H](C)O2 ZINC001111541866 1177906815 /nfs/dbraw/zinc/90/68/15/1177906815.db2.gz FHSFCKOQLSWXMR-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](CNCc1cncs1)C1CC1 ZINC001331324268 1178184762 /nfs/dbraw/zinc/18/47/62/1178184762.db2.gz JQZCCHXVDBPAJF-WBVHZDCISA-N 0 3 321.490 3.072 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001331549904 1178243216 /nfs/dbraw/zinc/24/32/16/1178243216.db2.gz ZVSMNUXDSIZCTN-KDOFPFPSSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C)nc1C ZINC001331549181 1178243888 /nfs/dbraw/zinc/24/38/88/1178243888.db2.gz VHNPXHXCOLOOLJ-DNVCBOLYSA-N 0 3 317.477 3.237 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@H]1C ZINC001331919279 1178308070 /nfs/dbraw/zinc/30/80/70/1178308070.db2.gz PHXGENPYBURYOZ-DYVFJYSZSA-N 0 3 322.399 3.400 20 30 DGEDHN COc1ccc2c(c1)CC[C@@H]2NCc1cccc(OCC#N)c1 ZINC001331972474 1178323339 /nfs/dbraw/zinc/32/33/39/1178323339.db2.gz MVVBZEKNLPSBMV-IBGZPJMESA-N 0 3 308.381 3.375 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001332414440 1178440911 /nfs/dbraw/zinc/44/09/11/1178440911.db2.gz XXXGERCXXWMBAM-NVXWUHKLSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(Cl)s1)C(C)C ZINC001332741153 1178489964 /nfs/dbraw/zinc/48/99/64/1178489964.db2.gz VCVBGEUFWGTICY-UHFFFAOYSA-N 0 3 300.855 3.370 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](OC)C1CCCCC1)C(C)C ZINC001332753836 1178491411 /nfs/dbraw/zinc/49/14/11/1178491411.db2.gz PSZQGPYAFUKIAL-SFHVURJKSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001332805344 1178500438 /nfs/dbraw/zinc/50/04/38/1178500438.db2.gz BWOMMZMRCVUIMI-INIZCTEOSA-N 0 3 321.440 3.198 20 30 DGEDHN Cc1nc(C2CCN(Cc3ccc(C#N)s3)CC2)[nH]c1C ZINC001333467308 1178609343 /nfs/dbraw/zinc/60/93/43/1178609343.db2.gz PLIXQCQEQPXIRP-UHFFFAOYSA-N 0 3 300.431 3.339 20 30 DGEDHN C[C@H](O)[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC001333856311 1178685520 /nfs/dbraw/zinc/68/55/20/1178685520.db2.gz KNVIZQBPKPRWBB-VOMHLDQXSA-N 0 3 306.409 3.322 20 30 DGEDHN CN(CCc1nccc(C(F)(F)F)n1)Cc1cccc(C#N)c1 ZINC001334690571 1178779687 /nfs/dbraw/zinc/77/96/87/1178779687.db2.gz JNJRYSZWBLYFMU-UHFFFAOYSA-N 0 3 320.318 3.042 20 30 DGEDHN CC[C@@H]1CN(Cc2cncc(C#N)c2)CCN1Cc1ccccc1 ZINC001334784905 1178797742 /nfs/dbraw/zinc/79/77/42/1178797742.db2.gz PHESWMSYUQASAO-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001341445740 1179008451 /nfs/dbraw/zinc/00/84/51/1179008451.db2.gz INZKCSJEAOUNQG-GDBMZVCRSA-N 0 3 306.837 3.340 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ncccc1C)C(C)(C)C ZINC001341525257 1179022902 /nfs/dbraw/zinc/02/29/02/1179022902.db2.gz DZEOLRXDHSQEID-GXTWGEPZSA-N 0 3 309.841 3.063 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC001341615677 1179038709 /nfs/dbraw/zinc/03/87/09/1179038709.db2.gz NMASVKOJMDBLIG-LLVKDONJSA-N 0 3 302.205 3.198 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC001341613921 1179039378 /nfs/dbraw/zinc/03/93/78/1179039378.db2.gz MBKWOMPVTSCEIP-MSOLQXFVSA-N 0 3 315.461 3.100 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)CCC[C@@H]2CC ZINC001341670362 1179045226 /nfs/dbraw/zinc/04/52/26/1179045226.db2.gz RMTFAXQXWZOLAB-UWVGGRQHSA-N 0 3 313.854 3.381 20 30 DGEDHN Cc1ccc(C2=CCN(C(=O)[C@@H](N)CCCCC#N)CC2)cc1 ZINC001341688850 1179048690 /nfs/dbraw/zinc/04/86/90/1179048690.db2.gz LCJOECXODMXSTE-SFHVURJKSA-N 0 3 311.429 3.022 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001342060468 1179096770 /nfs/dbraw/zinc/09/67/70/1179096770.db2.gz NOBCJBJZKBBZIP-HUUCEWRRSA-N 0 3 320.408 3.228 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCSc1ccc(Cl)cc1 ZINC001342274827 1179125129 /nfs/dbraw/zinc/12/51/29/1179125129.db2.gz AQDPNHUSGYHOGY-CYBMUJFWSA-N 0 3 319.817 3.432 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CC[C@@H](C4CC4)O3)nc21 ZINC001342604074 1179159082 /nfs/dbraw/zinc/15/90/82/1179159082.db2.gz NOGFVSNVEQDFCY-VBQJREDUSA-N 0 3 323.396 3.395 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CC[C@H](C4CC4)O3)nc21 ZINC001342604068 1179159654 /nfs/dbraw/zinc/15/96/54/1179159654.db2.gz NOGFVSNVEQDFCY-CKEIUWERSA-N 0 3 323.396 3.395 20 30 DGEDHN Cc1ccc([C@@H](CNc2cccc(CC#N)n2)N2CCCC2)o1 ZINC001342844919 1179196217 /nfs/dbraw/zinc/19/62/17/1179196217.db2.gz ZNOSDHZACXKGEX-MRXNPFEDSA-N 0 3 310.401 3.298 20 30 DGEDHN C[C@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC001343336434 1179259785 /nfs/dbraw/zinc/25/97/85/1179259785.db2.gz QFLJZUZPVKABJZ-BBRMVZONSA-N 0 3 314.385 3.072 20 30 DGEDHN Cc1cc(-c2ncccc2NC(=O)[C@@H](N)CCCC#N)cs1 ZINC001343582058 1179300398 /nfs/dbraw/zinc/30/03/98/1179300398.db2.gz HXGQUJOIDNAMQE-ZDUSSCGKSA-N 0 3 314.414 3.078 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001343841710 1179336780 /nfs/dbraw/zinc/33/67/80/1179336780.db2.gz HKGGAODWUXOPDL-IRXDYDNUSA-N 0 3 322.412 3.040 20 30 DGEDHN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2cccc(F)n2)ccn1 ZINC001344025096 1179366715 /nfs/dbraw/zinc/36/67/15/1179366715.db2.gz YHAQEIRQUOJPBE-DGCLKSJQSA-N 0 3 313.332 3.283 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC001344863101 1179487322 /nfs/dbraw/zinc/48/73/22/1179487322.db2.gz FDUZWQCOXYESQA-GDBMZVCRSA-N 0 3 320.396 3.370 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccc(F)cc1 ZINC001344864543 1179488649 /nfs/dbraw/zinc/48/86/49/1179488649.db2.gz SBDTULOAQGEMLU-GFCCVEGCSA-N 0 3 305.740 3.022 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(Br)cs1 ZINC001345646063 1179586244 /nfs/dbraw/zinc/58/62/44/1179586244.db2.gz DSNAPOKOKOSGRD-VIFPVBQESA-N 0 3 324.203 3.217 20 30 DGEDHN CCn1ccnc1C(C#N)=C([O-])c1cc(Br)cs1 ZINC001345646063 1179586238 /nfs/dbraw/zinc/58/62/38/1179586238.db2.gz DSNAPOKOKOSGRD-VIFPVBQESA-N 0 3 324.203 3.217 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cccc(C(F)F)c1F ZINC001346096784 1179652693 /nfs/dbraw/zinc/65/26/93/1179652693.db2.gz USUIFSLPKAXVGI-LLVKDONJSA-N 0 3 307.275 3.470 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001346096434 1179653134 /nfs/dbraw/zinc/65/31/34/1179653134.db2.gz QFOXYNGXAFQNPU-RKDXNWHRSA-N 0 3 301.724 3.075 20 30 DGEDHN N#CC(C(=O)C1CC(F)(F)C1)c1nc2c(cccc2Cl)[nH]1 ZINC001346152308 1179662810 /nfs/dbraw/zinc/66/28/10/1179662810.db2.gz WJQIQXJCQCXECN-QMMMGPOBSA-N 0 3 309.703 3.438 20 30 DGEDHN C=C(CC(C)C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC001346721204 1179738702 /nfs/dbraw/zinc/73/87/02/1179738702.db2.gz CDLVTNJOEVQJLL-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN CC[C@@H]1C[C@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001347992225 1179825248 /nfs/dbraw/zinc/82/52/48/1179825248.db2.gz DEFHBTLGTMODMM-RTXFEEFZSA-N 0 3 308.328 3.131 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1CC(OC(C)(C)C)C1 ZINC001349702283 1179935664 /nfs/dbraw/zinc/93/56/64/1179935664.db2.gz OGWNRYLDFGZUJX-MCIGGMRASA-N 0 3 323.824 3.234 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc2[nH]ccc2c1 ZINC001349701453 1179935841 /nfs/dbraw/zinc/93/58/41/1179935841.db2.gz GDHVFFAGUQZRIS-OAHLLOKOSA-N 0 3 306.369 3.193 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C(F)F)c1 ZINC001349702444 1179936304 /nfs/dbraw/zinc/93/63/04/1179936304.db2.gz PLSQQKYVPCMNDG-CYBMUJFWSA-N 0 3 303.312 3.260 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ncoc2CC)CC1 ZINC001479992239 1179950301 /nfs/dbraw/zinc/95/03/01/1179950301.db2.gz XWXIVVQIHRIOBF-UHFFFAOYSA-N 0 3 319.449 3.130 20 30 DGEDHN C#CCCCCCC[N@@H+](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602711407 1192995030 /nfs/dbraw/zinc/99/50/30/1192995030.db2.gz STKVHSOAXZNRFX-OAHLLOKOSA-N 0 3 311.433 3.443 20 30 DGEDHN C#CCCCCCC[N@H+](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602711407 1192995031 /nfs/dbraw/zinc/99/50/31/1192995031.db2.gz STKVHSOAXZNRFX-OAHLLOKOSA-N 0 3 311.433 3.443 20 30 DGEDHN C#CCCCCCC[N@@H+](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602711407 1192995032 /nfs/dbraw/zinc/99/50/32/1192995032.db2.gz STKVHSOAXZNRFX-OAHLLOKOSA-N 0 3 311.433 3.443 20 30 DGEDHN C#CCCCCCC[N@H+](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602711407 1192995033 /nfs/dbraw/zinc/99/50/33/1192995033.db2.gz STKVHSOAXZNRFX-OAHLLOKOSA-N 0 3 311.433 3.443 20 30 DGEDHN C[C@H]1Cc2cc(CNCc3cccc(OCC#N)c3)ccc2O1 ZINC001350887558 1180137000 /nfs/dbraw/zinc/13/70/00/1180137000.db2.gz DTRHZZOBCHHDBY-AWEZNQCLSA-N 0 3 308.381 3.202 20 30 DGEDHN N#Cc1cncc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC001351174816 1180182303 /nfs/dbraw/zinc/18/23/03/1180182303.db2.gz AEBCFPVPOIYEBL-HNAYVOBHSA-N 0 3 307.397 3.211 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CCOC(C)C)CCC1 ZINC001480325014 1180370301 /nfs/dbraw/zinc/37/03/01/1180370301.db2.gz SIMVUKQGAOPKGM-KRWDZBQOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccccc1C(F)(F)F ZINC001353211353 1180496436 /nfs/dbraw/zinc/49/64/36/1180496436.db2.gz AGMBIWOUBQBPOO-CQSZACIVSA-N 0 3 314.351 3.048 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C(F)(F)F)CC1 ZINC001354020598 1180705522 /nfs/dbraw/zinc/70/55/22/1180705522.db2.gz MXCOAUSDNKPPCV-JTQLQIEISA-N 0 3 321.302 3.482 20 30 DGEDHN O=C(CCCC1CC1)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100593283 1180831021 /nfs/dbraw/zinc/83/10/21/1180831021.db2.gz DHOLKRYQFJGFDB-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100623455 1180860529 /nfs/dbraw/zinc/86/05/29/1180860529.db2.gz OMEKLTSAWGIKAQ-UHFFFAOYSA-N 0 3 305.249 3.146 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001356567250 1181216231 /nfs/dbraw/zinc/21/62/31/1181216231.db2.gz NEFXKFLDINZNFZ-ZENOOKHLSA-N 0 3 312.369 3.455 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC001356578272 1181218581 /nfs/dbraw/zinc/21/85/81/1181218581.db2.gz MLDCCNRKUMCKOL-QWHCGFSZSA-N 0 3 321.302 3.333 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC001356578267 1181218997 /nfs/dbraw/zinc/21/89/97/1181218997.db2.gz MLDCCNRKUMCKOL-CHWSQXEVSA-N 0 3 321.302 3.333 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1 ZINC001480726661 1181689301 /nfs/dbraw/zinc/68/93/01/1181689301.db2.gz HDPPEPGVLABRGH-SFHVURJKSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CCCc2ccccc21 ZINC001439623596 1182010029 /nfs/dbraw/zinc/01/00/29/1182010029.db2.gz HYHNVZGAKMLHLY-WOJBJXKFSA-N 0 3 324.468 3.399 20 30 DGEDHN C=C(CC(C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001441301564 1182060164 /nfs/dbraw/zinc/06/01/64/1182060164.db2.gz WQAGIXFHNKMHTM-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN C=CC1(CC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CCCCC1 ZINC001447108103 1182183599 /nfs/dbraw/zinc/18/35/99/1182183599.db2.gz SWYGDBPCXXLRRG-GJZGRUSLSA-N 0 3 310.507 3.017 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)OC1CCCCCC1 ZINC001448882663 1182216709 /nfs/dbraw/zinc/21/67/09/1182216709.db2.gz KXPPNQPSXNRKPX-INIZCTEOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001448880406 1182217491 /nfs/dbraw/zinc/21/74/91/1182217491.db2.gz CKPAKBPFASVPSX-UHFFFAOYSA-N 0 3 318.465 3.037 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 ZINC001450486967 1182250392 /nfs/dbraw/zinc/25/03/92/1182250392.db2.gz LLDPDLRYBGCZFW-KRWDZBQOSA-N 0 3 320.864 3.295 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001450792326 1182257560 /nfs/dbraw/zinc/25/75/60/1182257560.db2.gz MIKOMXINZFGBCU-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@H]1CN(C)c2ccccc2CN1CCOc1ccccc1C#N ZINC001460449602 1182689914 /nfs/dbraw/zinc/68/99/14/1182689914.db2.gz OMNFBRFWYOPJQL-INIZCTEOSA-N 0 3 321.424 3.278 20 30 DGEDHN C=CCCC[C@@H](NCC(=O)Nc1ccncc1)c1ccccc1 ZINC001460709373 1182711251 /nfs/dbraw/zinc/71/12/51/1182711251.db2.gz MQCPDMGIDYKFDD-GOSISDBHSA-N 0 3 309.413 3.129 20 30 DGEDHN C=CCCC[C@H](NCC(=O)Nc1ccncc1)c1ccccc1 ZINC001460709374 1182711415 /nfs/dbraw/zinc/71/14/15/1182711415.db2.gz MQCPDMGIDYKFDD-SFHVURJKSA-N 0 3 309.413 3.129 20 30 DGEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(OCC)cc1 ZINC001460886556 1182735351 /nfs/dbraw/zinc/73/53/51/1182735351.db2.gz NHNOXFIDRAETCZ-INIZCTEOSA-N 0 3 302.418 3.454 20 30 DGEDHN C=CCC[C@H](CO)NCc1c(C)ccc(Br)c1F ZINC001461498956 1182820934 /nfs/dbraw/zinc/82/09/34/1182820934.db2.gz BTTVIULQPVZPCL-LLVKDONJSA-N 0 3 316.214 3.313 20 30 DGEDHN C[C@@H](CC#N)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001461724048 1182846628 /nfs/dbraw/zinc/84/66/28/1182846628.db2.gz JFNYLCAFAWDPHQ-LBPRGKRZSA-N 0 3 309.816 3.335 20 30 DGEDHN C=C1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC001468276577 1183322712 /nfs/dbraw/zinc/32/27/12/1183322712.db2.gz OFPUIRBCFYUQOQ-AEFFLSMTSA-N 0 3 313.445 3.184 20 30 DGEDHN CCCCCCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001469424326 1183407888 /nfs/dbraw/zinc/40/78/88/1183407888.db2.gz LTNNGESNRBWNRA-MRXNPFEDSA-N 0 3 309.498 3.473 20 30 DGEDHN CCC(C)(C)[NH2+][C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001472619636 1183657126 /nfs/dbraw/zinc/65/71/26/1183657126.db2.gz RXJLPRQQMIMVMZ-HNNXBMFYSA-N 0 3 306.450 3.394 20 30 DGEDHN C=CCNc1nnc(SC[C@@H]2CCCCN2C(C)C)s1 ZINC001472965827 1183703237 /nfs/dbraw/zinc/70/32/37/1183703237.db2.gz NVVLHIXGSRCUQD-LBPRGKRZSA-N 0 3 312.508 3.491 20 30 DGEDHN CCCN(Cc1cc(C#N)ccn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001473176060 1183723925 /nfs/dbraw/zinc/72/39/25/1183723925.db2.gz RQBQLUOGRFMOHX-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN C=C(CC)CN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001473589965 1183777970 /nfs/dbraw/zinc/77/79/70/1183777970.db2.gz LZUFUIXCJBBDPD-ZDUSSCGKSA-N 0 3 311.223 3.263 20 30 DGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001473685409 1183789469 /nfs/dbraw/zinc/78/94/69/1183789469.db2.gz VTRWXCHLUIWLOY-GFCCVEGCSA-N 0 3 307.353 3.450 20 30 DGEDHN COC(=O)CC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001473767896 1183799789 /nfs/dbraw/zinc/79/97/89/1183799789.db2.gz PAOZPEFNNMSDBM-MRXNPFEDSA-N 0 3 319.832 3.357 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(CCCc1ccsc1)C2 ZINC001473858415 1183812731 /nfs/dbraw/zinc/81/27/31/1183812731.db2.gz QAZHBZWEWJPZMR-UHFFFAOYSA-N 0 3 303.456 3.254 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001473878601 1183817741 /nfs/dbraw/zinc/81/77/41/1183817741.db2.gz ZYJIDTIMKPVMPG-INIZCTEOSA-N 0 3 320.477 3.367 20 30 DGEDHN CCCCCCCOc1ccc(CN[C@]2(C)CCNC2=O)cc1 ZINC001474280385 1183895790 /nfs/dbraw/zinc/89/57/90/1183895790.db2.gz IJJRHTCTSFPIHE-LJQANCHMSA-N 0 3 318.461 3.404 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001478395175 1184149082 /nfs/dbraw/zinc/14/90/82/1184149082.db2.gz XIMRDIFUJDORDQ-DOTOQJQBSA-N 0 3 315.461 3.018 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001478711866 1184169925 /nfs/dbraw/zinc/16/99/25/1184169925.db2.gz WHHNBZXTGIPOMS-UHFFFAOYSA-N 0 3 309.498 3.352 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001479269748 1184223765 /nfs/dbraw/zinc/22/37/65/1184223765.db2.gz AFMLQERXFFHGKP-TVRKMHQQSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@]2(C)CCC[C@@H]2CC)C1 ZINC001479302411 1184229627 /nfs/dbraw/zinc/22/96/27/1184229627.db2.gz METRKOWLFSRQCE-LJIGWXMPSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2cccc(C)c2)C1 ZINC001479311143 1184230809 /nfs/dbraw/zinc/23/08/09/1184230809.db2.gz KCJNMIYCGHBKNB-CALCHBBNSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2ccccc2C)C1 ZINC001479343759 1184236602 /nfs/dbraw/zinc/23/66/02/1184236602.db2.gz CWCVCFXCBKHYID-OAGGEKHMSA-N 0 3 320.864 3.335 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1cnc(C)o1 ZINC001479511351 1184262736 /nfs/dbraw/zinc/26/27/36/1184262736.db2.gz LEOVMBIULHQCCM-WMLDXEAASA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)[C@H]1C ZINC001479725707 1184300610 /nfs/dbraw/zinc/30/06/10/1184300610.db2.gz UBSGPCIFDZTMSC-ZACQAIPSSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(C)Cc2cnccc2C)CC1 ZINC001479794266 1184327200 /nfs/dbraw/zinc/32/72/00/1184327200.db2.gz FSBJLULZDSVDCP-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(C)Cc2ccsc2)CC1 ZINC001479794726 1184327246 /nfs/dbraw/zinc/32/72/46/1184327246.db2.gz UNAKGGZVCMLFHX-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(F)F ZINC001480093499 1184432843 /nfs/dbraw/zinc/43/28/43/1184432843.db2.gz QXNBPQYHOGJPBX-QLFBSQMISA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001480100661 1184434788 /nfs/dbraw/zinc/43/47/88/1184434788.db2.gz BASFGUHINVWNIO-HCXYKTFWSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001480100041 1184434854 /nfs/dbraw/zinc/43/48/54/1184434854.db2.gz SXHAOVBKXRHKPY-TUVASFSCSA-N 0 3 314.420 3.308 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001480153567 1184446033 /nfs/dbraw/zinc/44/60/33/1184446033.db2.gz NIPVBGPCESLSQG-WKILWMFISA-N 0 3 318.436 3.473 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CSC(C)C ZINC001480370716 1184509406 /nfs/dbraw/zinc/50/94/06/1184509406.db2.gz VWJWAYPHFCRAMO-JKSUJKDBSA-N 0 3 310.507 3.160 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC001480740940 1184596015 /nfs/dbraw/zinc/59/60/15/1184596015.db2.gz IFRIWKNSTXZXDI-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)CC(F)(F)F ZINC001480800683 1184612108 /nfs/dbraw/zinc/61/21/08/1184612108.db2.gz DKOPJKZEUMSUCO-JTQLQIEISA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2cnccc2c1 ZINC001480802050 1184612167 /nfs/dbraw/zinc/61/21/67/1184612167.db2.gz HDWPNQWPDQPLAU-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001480803074 1184612317 /nfs/dbraw/zinc/61/23/17/1184612317.db2.gz IMGZSGXRTNBOLG-AWEZNQCLSA-N 0 3 318.848 3.497 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc(C2CC2)c1 ZINC001480811864 1184614565 /nfs/dbraw/zinc/61/45/65/1184614565.db2.gz GXYCYOPMRRQGDG-CYBMUJFWSA-N 0 3 306.837 3.415 20 30 DGEDHN C/C=C(\C)C(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001480821382 1184619240 /nfs/dbraw/zinc/61/92/40/1184619240.db2.gz WUAJWBCCBPMHQF-VUGVYLIFSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2cccc(C)c2)C1 ZINC001493016824 1184634159 /nfs/dbraw/zinc/63/41/59/1184634159.db2.gz QUFJNZAYKFDZDE-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN O=C(C#CC1CC1)NC[C@@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC001493098186 1184649155 /nfs/dbraw/zinc/64/91/55/1184649155.db2.gz OAEFKAQQIGURLI-FQEVSTJZSA-N 0 3 322.452 3.058 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN(Cc3ccc(F)cc3)C2)C1 ZINC001493239292 1184672771 /nfs/dbraw/zinc/67/27/71/1184672771.db2.gz ZHIWFALKJHPXRK-INIZCTEOSA-N 0 3 316.420 3.120 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC001493340629 1184690430 /nfs/dbraw/zinc/69/04/30/1184690430.db2.gz DEQWZQDXNGWOHR-QGZVFWFLSA-N 0 3 300.446 3.032 20 30 DGEDHN C=CCN(CCNC(=O)C1(Cc2ccccc2)CCC1)C1CC1 ZINC001493376755 1184697622 /nfs/dbraw/zinc/69/76/22/1184697622.db2.gz HVFMMPMXRHCJAR-UHFFFAOYSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCCCC(=O)N(C)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001493675106 1184725006 /nfs/dbraw/zinc/72/50/06/1184725006.db2.gz RJVFFCXOBBNIMZ-QGZVFWFLSA-N 0 3 322.399 3.356 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccc1 ZINC001493888431 1184758761 /nfs/dbraw/zinc/75/87/61/1184758761.db2.gz HEGSNUNEXXRURD-PIKOESSRSA-N 0 3 322.452 3.059 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC001493894293 1184759495 /nfs/dbraw/zinc/75/94/95/1184759495.db2.gz ZJRPCNUJLYBWKB-FHWLQOOXSA-N 0 3 312.457 3.446 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001493914877 1184763199 /nfs/dbraw/zinc/76/31/99/1184763199.db2.gz QKYJNPNPXDKZLM-KDURUIRLSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2coc3ccccc32)C1 ZINC001493977399 1184783106 /nfs/dbraw/zinc/78/31/06/1184783106.db2.gz MHOGXGGVHBECSK-INIZCTEOSA-N 0 3 324.424 3.383 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccncc2F)C1 ZINC001494262094 1184840710 /nfs/dbraw/zinc/84/07/10/1184840710.db2.gz MLLCBBFITOPAJA-OAHLLOKOSA-N 0 3 321.440 3.385 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001494310254 1184851794 /nfs/dbraw/zinc/85/17/94/1184851794.db2.gz QERUVMQYFFWXDV-INIZCTEOSA-N 0 3 321.440 3.385 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001494330294 1184856748 /nfs/dbraw/zinc/85/67/48/1184856748.db2.gz AEGVBTRIGBAMSV-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN CC1CCC(CN2C[C@@H]3C[C@H]2CN3C(=O)C#CC(C)(C)C)CC1 ZINC001494651887 1184900376 /nfs/dbraw/zinc/90/03/76/1184900376.db2.gz IYOVYRQTCVVHRY-FOIPXRHGSA-N 0 3 316.489 3.147 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001494667401 1184901926 /nfs/dbraw/zinc/90/19/26/1184901926.db2.gz PIIVTHAIAIYZQL-NJAFHUGGSA-N 0 3 304.478 3.454 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)cc1 ZINC001494664901 1184902449 /nfs/dbraw/zinc/90/24/49/1184902449.db2.gz QKBUYMRBVZIEIR-OALUTQOASA-N 0 3 310.441 3.003 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001494701223 1184908656 /nfs/dbraw/zinc/90/86/56/1184908656.db2.gz STCBSFFCFMDZES-IBGZPJMESA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccccc2C)C1 ZINC001494852231 1184943094 /nfs/dbraw/zinc/94/30/94/1184943094.db2.gz XKGBVFSKALPUPM-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001494954556 1184970155 /nfs/dbraw/zinc/97/01/55/1184970155.db2.gz XNYFDUUPYAOXSW-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001495049527 1184986756 /nfs/dbraw/zinc/98/67/56/1184986756.db2.gz JTXSUFLHIFXWRF-ICSRJNTNSA-N 0 3 312.457 3.125 20 30 DGEDHN CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609083068 1193323308 /nfs/dbraw/zinc/32/33/08/1193323308.db2.gz UAINLYLVQNIYAV-MRXNPFEDSA-N 0 3 324.432 3.164 20 30 DGEDHN CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609083068 1193323312 /nfs/dbraw/zinc/32/33/12/1193323312.db2.gz UAINLYLVQNIYAV-MRXNPFEDSA-N 0 3 324.432 3.164 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1(CNCc2ccccn2)CCCC1 ZINC001495182936 1185008730 /nfs/dbraw/zinc/00/87/30/1185008730.db2.gz LNOZUVPUSLACDW-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001495339103 1185034056 /nfs/dbraw/zinc/03/40/56/1185034056.db2.gz DERMBNSHMZDUCF-JKSUJKDBSA-N 0 3 310.869 3.314 20 30 DGEDHN C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001609124128 1193325455 /nfs/dbraw/zinc/32/54/55/1193325455.db2.gz XVIOPGYXHLIRFX-ZDUSSCGKSA-N 0 3 312.421 3.237 20 30 DGEDHN C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001609124128 1193325458 /nfs/dbraw/zinc/32/54/58/1193325458.db2.gz XVIOPGYXHLIRFX-ZDUSSCGKSA-N 0 3 312.421 3.237 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CCNCc2cscn2)CC1 ZINC001495415496 1185049370 /nfs/dbraw/zinc/04/93/70/1185049370.db2.gz KILSYQXQCHCMBY-UHFFFAOYSA-N 0 3 321.490 3.218 20 30 DGEDHN C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001495439247 1185053128 /nfs/dbraw/zinc/05/31/28/1185053128.db2.gz BLFCOSKFTNRDOJ-JYJNAYRXSA-N 0 3 316.445 3.378 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC001495465903 1185057926 /nfs/dbraw/zinc/05/79/26/1185057926.db2.gz XDOXIYYWFJPTRU-XIRDDKMYSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@H](C)c2ccccc2)cc1 ZINC001495497277 1185064302 /nfs/dbraw/zinc/06/43/02/1185064302.db2.gz HKYFRCVVZTYJSN-KRWDZBQOSA-N 0 3 320.436 3.219 20 30 DGEDHN C=C(C)CCC(=O)NCCC1CCN(Cc2ocnc2C)CC1 ZINC001495522150 1185069083 /nfs/dbraw/zinc/06/90/83/1185069083.db2.gz LFXWQYCGKNNXCC-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001496254571 1185155162 /nfs/dbraw/zinc/15/51/62/1185155162.db2.gz MKAFHDHZCGVENS-OAHLLOKOSA-N 0 3 304.434 3.093 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1c(C)nsc1C)C(C)C ZINC001496567688 1185213253 /nfs/dbraw/zinc/21/32/53/1185213253.db2.gz SVZFGBJQARWPFI-MRXNPFEDSA-N 0 3 323.506 3.347 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C ZINC001496589336 1185217609 /nfs/dbraw/zinc/21/76/09/1185217609.db2.gz GYACCNORXCBUAX-NSHDSACASA-N 0 3 307.265 3.248 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc2c(c1)CCC2 ZINC001496759016 1185242076 /nfs/dbraw/zinc/24/20/76/1185242076.db2.gz UQHLISVOPWRDOO-UHFFFAOYSA-N 0 3 314.473 3.278 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001496791956 1185248615 /nfs/dbraw/zinc/24/86/15/1185248615.db2.gz LNYBOFDOTKPDLY-UHFFFAOYSA-N 0 3 302.462 3.103 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C\Cl)C2)CCC1 ZINC001496859898 1185258655 /nfs/dbraw/zinc/25/86/55/1185258655.db2.gz AKYRTLHRKBCWHY-CSXAIKOLSA-N 0 3 322.880 3.408 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001496864054 1185260633 /nfs/dbraw/zinc/26/06/33/1185260633.db2.gz SBXYFABNFSAPFG-FRFGOACMSA-N 0 3 322.880 3.245 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1nc(C)c(C)s1 ZINC001497195480 1185295462 /nfs/dbraw/zinc/29/54/62/1185295462.db2.gz KLZMHGBOGCRRQA-GFCCVEGCSA-N 0 3 309.479 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(F)c(C)cc1F ZINC001497204660 1185296084 /nfs/dbraw/zinc/29/60/84/1185296084.db2.gz DUEOYEBQSYACRU-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)cc(Cl)c1 ZINC001497232238 1185300550 /nfs/dbraw/zinc/30/05/50/1185300550.db2.gz YJDRKOYYGCLDQC-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C12CCC(CC1)C2(C)C ZINC001497283953 1185309966 /nfs/dbraw/zinc/30/99/66/1185309966.db2.gz CRKZNRKXOSGILJ-CBCUQQMYSA-N 0 3 312.885 3.440 20 30 DGEDHN CCC(=CC(=O)N(CC)CCNCc1cccc(C#N)c1)CC ZINC001497373328 1185324746 /nfs/dbraw/zinc/32/47/46/1185324746.db2.gz JNSMCHLXYLWGHY-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CC(C)(C)C1CCCCC1 ZINC001497484602 1185340040 /nfs/dbraw/zinc/34/00/40/1185340040.db2.gz QEYKSJUXXJLBPC-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC1(C(=O)NC/C=C\CNCc2ccc(F)cc2)CCC1 ZINC001497672062 1185373267 /nfs/dbraw/zinc/37/32/67/1185373267.db2.gz RZBQLJSWARMHLE-ARJAWSKDSA-N 0 3 316.420 3.334 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001498426188 1185491068 /nfs/dbraw/zinc/49/10/68/1185491068.db2.gz GVUKOLNEVGDVDG-MNOVXSKESA-N 0 3 300.855 3.128 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCN[C@H](C)c1c(F)cccc1F ZINC001498546561 1185515910 /nfs/dbraw/zinc/51/59/10/1185515910.db2.gz WDNDGPWILXESBZ-CQSZACIVSA-N 0 3 322.399 3.123 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001498815965 1185550578 /nfs/dbraw/zinc/55/05/78/1185550578.db2.gz FOXPBJRQCUTGNZ-PZJWPPBQSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001498984153 1185586067 /nfs/dbraw/zinc/58/60/67/1185586067.db2.gz KXEADPCECNDMOZ-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1ccc(Cl)cc1 ZINC001499029622 1185594737 /nfs/dbraw/zinc/59/47/37/1185594737.db2.gz KDZGTGNCAJKSHT-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001499061912 1185601866 /nfs/dbraw/zinc/60/18/66/1185601866.db2.gz IFPDCOKJAGJJOH-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1ccccc1C ZINC001499061796 1185602343 /nfs/dbraw/zinc/60/23/43/1185602343.db2.gz HAKIBPAPNYGCHA-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001499063091 1185603643 /nfs/dbraw/zinc/60/36/43/1185603643.db2.gz NNJHDODVAZRUHY-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001499081705 1185606930 /nfs/dbraw/zinc/60/69/30/1185606930.db2.gz FWHBDSSWVDQZRA-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001499082341 1185607055 /nfs/dbraw/zinc/60/70/55/1185607055.db2.gz SYXXFFUFGVFLGT-CRAIPNDOSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H]1CCN1CC1CCC1)c1ccccc1 ZINC001499123846 1185616425 /nfs/dbraw/zinc/61/64/25/1185616425.db2.gz DAWPJAKVPHKNJI-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ncc(C)s2)C[C@H]1C ZINC001499833270 1185703306 /nfs/dbraw/zinc/70/33/06/1185703306.db2.gz YCRNMFHTXNJFNI-HIFRSBDPSA-N 0 3 321.490 3.277 20 30 DGEDHN CCC(CC)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499874264 1185710921 /nfs/dbraw/zinc/71/09/21/1185710921.db2.gz JYKYJMIRIHCYSJ-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCN(C(=O)c1coc(C)c1)C1CCN(CC=C(C)C)CC1 ZINC001500034786 1185732988 /nfs/dbraw/zinc/73/29/88/1185732988.db2.gz VHNBRYGBWXZXCL-UHFFFAOYSA-N 0 3 314.429 3.094 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C1CCN(CC=C)CC1 ZINC001500059389 1185736508 /nfs/dbraw/zinc/73/65/08/1185736508.db2.gz CBVXJRZYRRJXSZ-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C1CCN(CC=C)CC1 ZINC001500059394 1185736614 /nfs/dbraw/zinc/73/66/14/1185736614.db2.gz CBVXJRZYRRJXSZ-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001500227707 1185761235 /nfs/dbraw/zinc/76/12/35/1185761235.db2.gz MZGUTKGRNKBVPK-IBGZPJMESA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2cccc(Cl)c2)C1 ZINC001500519964 1185815592 /nfs/dbraw/zinc/81/55/92/1185815592.db2.gz WENDVKPJPZDHKA-SFHVURJKSA-N 0 3 320.864 3.287 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001501016563 1185855926 /nfs/dbraw/zinc/85/59/26/1185855926.db2.gz YGMMUROUWNLYFL-AEFFLSMTSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1CC12CC2)c1ccccc1CC ZINC001501022298 1185857122 /nfs/dbraw/zinc/85/71/22/1185857122.db2.gz NXBBULNDNDNWET-MSOLQXFVSA-N 0 3 312.457 3.372 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cccs1 ZINC001501658772 1185918231 /nfs/dbraw/zinc/91/82/31/1185918231.db2.gz ZAZJKRKYCFGYES-UHFFFAOYSA-N 0 3 312.438 3.133 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccoc2C2CC2)cc1 ZINC001501679504 1185920764 /nfs/dbraw/zinc/92/07/64/1185920764.db2.gz QTJZHDPPQJSAHZ-CQSZACIVSA-N 0 3 322.408 3.371 20 30 DGEDHN C=CCC1(C(=O)N2CC3(C2)CCN(CC#CC)CC3)CCCC1 ZINC001501748775 1185928875 /nfs/dbraw/zinc/92/88/75/1185928875.db2.gz HOKXACIRXGVSCH-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CC2(c3ccccc3)CC2)CC1 ZINC001502125619 1185956843 /nfs/dbraw/zinc/95/68/43/1185956843.db2.gz HCEAHWUITTYJPY-IBGZPJMESA-N 0 3 324.468 3.102 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001502546585 1185995172 /nfs/dbraw/zinc/99/51/72/1185995172.db2.gz UJCRCCNISBGZPJ-DBEXCURXSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C3(F)CCCC3)cc2C1 ZINC001502650582 1185999660 /nfs/dbraw/zinc/99/96/60/1185999660.db2.gz FVVWDQLFZNNGQZ-UHFFFAOYSA-N 0 3 316.420 3.477 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](F)CC)CC1 ZINC001505398454 1186066780 /nfs/dbraw/zinc/06/67/80/1186066780.db2.gz JAQIJHZGEUKXAW-CQSZACIVSA-N 0 3 304.837 3.048 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 ZINC001505433587 1186078004 /nfs/dbraw/zinc/07/80/04/1186078004.db2.gz AHVJNNIMAAFMEG-GOSISDBHSA-N 0 3 312.457 3.118 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 ZINC001505440072 1186080622 /nfs/dbraw/zinc/08/06/22/1186080622.db2.gz LEZMTXAVDCJONE-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(F)ccc1Cl ZINC001505446731 1186082608 /nfs/dbraw/zinc/08/26/08/1186082608.db2.gz RKLRFHSEDGLYIS-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)C(C)(C)C ZINC001505845741 1186147629 /nfs/dbraw/zinc/14/76/29/1186147629.db2.gz ZTQYVDGZTJUMDA-UHFFFAOYSA-N 0 3 319.287 3.015 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)CC ZINC001506530588 1186240332 /nfs/dbraw/zinc/24/03/32/1186240332.db2.gz NDTJBQAVPIGHBK-INIZCTEOSA-N 0 3 320.864 3.366 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCCc1ccccc1 ZINC001506574810 1186254582 /nfs/dbraw/zinc/25/45/82/1186254582.db2.gz XTKWCXLQDJBBAF-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001506660352 1186270841 /nfs/dbraw/zinc/27/08/41/1186270841.db2.gz MTQGHIVTWSZMHF-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001506678912 1186273184 /nfs/dbraw/zinc/27/31/84/1186273184.db2.gz WRRPAAFKUFCUSA-QWHCGFSZSA-N 0 3 322.399 3.081 20 30 DGEDHN C#CCC1(C(=O)N[C@@H](C)C2CN(CC=C(C)C)C2)CCCCC1 ZINC001506681503 1186274251 /nfs/dbraw/zinc/27/42/51/1186274251.db2.gz JBSHMFQAFRIHAK-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001506869599 1186301572 /nfs/dbraw/zinc/30/15/72/1186301572.db2.gz ZZAKXFQQHIWWSH-SMOSDQRPSA-N 0 3 318.505 3.108 20 30 DGEDHN C[C@@H](CN(C)C(=O)CCC1CCC1)NCC#Cc1ccccc1 ZINC001507063090 1186352958 /nfs/dbraw/zinc/35/29/58/1186352958.db2.gz SKSVIEXIVFQNBC-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001507282776 1186380799 /nfs/dbraw/zinc/38/07/99/1186380799.db2.gz ZMMPGOUGOHLDHX-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN CCC(CC)C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001507298386 1186384236 /nfs/dbraw/zinc/38/42/36/1186384236.db2.gz DZFNLDVOHROHNH-QFBILLFUSA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@@H]1C ZINC001507316795 1186387971 /nfs/dbraw/zinc/38/79/71/1186387971.db2.gz DQSJFBIEJNTNDE-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccccc2)[C@@H]1C ZINC001507381315 1186410581 /nfs/dbraw/zinc/41/05/81/1186410581.db2.gz BATZDHDNOCCPIV-WMZOPIPTSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2c(o1)CCCC2)C(C)C ZINC001507792704 1186444658 /nfs/dbraw/zinc/44/46/58/1186444658.db2.gz HYNFLKNWAKRQMA-UHFFFAOYSA-N 0 3 304.434 3.127 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)OC1CCCCCC1)C(C)C ZINC001507834315 1186449594 /nfs/dbraw/zinc/44/95/94/1186449594.db2.gz QDYNPFQELYIOTA-QGZVFWFLSA-N 0 3 324.509 3.469 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](CC)CCCC)CC1 ZINC001508075527 1186477869 /nfs/dbraw/zinc/47/78/69/1186477869.db2.gz FTHDIDYUVNECLK-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)C(CC)CC)CC2)CC1 ZINC001508159902 1186486220 /nfs/dbraw/zinc/48/62/20/1186486220.db2.gz AXFUUWROMONPQN-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001508187851 1186486829 /nfs/dbraw/zinc/48/68/29/1186486829.db2.gz PWASDIGCORUIPM-HNNXBMFYSA-N 0 3 314.429 3.109 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001508187851 1186486834 /nfs/dbraw/zinc/48/68/34/1186486834.db2.gz PWASDIGCORUIPM-HNNXBMFYSA-N 0 3 314.429 3.109 20 30 DGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC001514881070 1186734275 /nfs/dbraw/zinc/73/42/75/1186734275.db2.gz AIWQKRWMKHUNAI-AWEZNQCLSA-N 0 3 318.804 3.267 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001612435581 1193452014 /nfs/dbraw/zinc/45/20/14/1193452014.db2.gz MTOKOTNNVISISO-LBPRGKRZSA-N 0 3 322.434 3.450 20 30 DGEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC001520903581 1186978672 /nfs/dbraw/zinc/97/86/72/1186978672.db2.gz MNEOQYZPKMKWEX-UHFFFAOYSA-N 0 3 318.436 3.462 20 30 DGEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)cn1 ZINC001612630960 1193458186 /nfs/dbraw/zinc/45/81/86/1193458186.db2.gz KJGBOWQEUKZWSF-LJQANCHMSA-N 0 3 320.440 3.300 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2nc(C)cs2)CCCC1 ZINC001521482212 1187025685 /nfs/dbraw/zinc/02/56/85/1187025685.db2.gz IOLSBSGYIHZEJR-CYBMUJFWSA-N 0 3 307.463 3.021 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cc3c(o2)CCCC3)c1 ZINC001524030033 1187210252 /nfs/dbraw/zinc/21/02/52/1187210252.db2.gz WDINPSAPJZNNOX-OAHLLOKOSA-N 0 3 322.364 3.428 20 30 DGEDHN N#CC(C(=O)[C@H]1CCCOCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001526620554 1187379293 /nfs/dbraw/zinc/37/92/93/1187379293.db2.gz MJGHKLHYBFOSRN-QWRGUYRKSA-N 0 3 317.776 3.209 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC001527142774 1187412431 /nfs/dbraw/zinc/41/24/31/1187412431.db2.gz DFCSWKJQVOOKFG-WBVHZDCISA-N 0 3 300.446 3.498 20 30 DGEDHN C[C@@H]1CCC[C@H](CCN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC001615163756 1193516498 /nfs/dbraw/zinc/51/64/98/1193516498.db2.gz DFBNHADCFCXBKZ-IAGOWNOFSA-N 0 3 312.461 3.292 20 30 DGEDHN CC(C)(C)c1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CC1)C2 ZINC001615362733 1193520907 /nfs/dbraw/zinc/52/09/07/1193520907.db2.gz DDZDNCKIHKHHPC-GOSISDBHSA-N 0 3 312.457 3.397 20 30 DGEDHN C=C/C=C/CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001615397354 1193521968 /nfs/dbraw/zinc/52/19/68/1193521968.db2.gz GSGZVZYBYCEVSA-ONEGZZNKSA-N 0 3 318.424 3.361 20 30 DGEDHN CC1(C)CC(CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001617146705 1193559005 /nfs/dbraw/zinc/55/90/05/1193559005.db2.gz JNFOBEHBICRPAI-SFHVURJKSA-N 0 3 315.436 3.444 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(C)cc1Cl ZINC001556466052 1189002159 /nfs/dbraw/zinc/00/21/59/1189002159.db2.gz HTDDFZBNPYPSHZ-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(C)C)cc1O ZINC001556466662 1189002841 /nfs/dbraw/zinc/00/28/41/1189002841.db2.gz HYMXDDBRDWGEQQ-UHFFFAOYSA-N 0 3 304.434 3.096 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001559796630 1189242376 /nfs/dbraw/zinc/24/23/76/1189242376.db2.gz QQHIETKIGJQQSE-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN C#Cc1cccc(CNCc2cnc(-c3ccncc3)s2)c1 ZINC001560503892 1189333652 /nfs/dbraw/zinc/33/36/52/1189333652.db2.gz YIYGYBMDIJVKBO-UHFFFAOYSA-N 0 3 305.406 3.476 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)c(F)c1 ZINC001560577714 1189343803 /nfs/dbraw/zinc/34/38/03/1189343803.db2.gz MNDNWKBFPGKPHX-INIZCTEOSA-N 0 3 318.779 3.044 20 30 DGEDHN C#CCOc1ccccc1CNC1CC(Nc2ccccc2)C1 ZINC001560579375 1189344110 /nfs/dbraw/zinc/34/41/10/1189344110.db2.gz JRZKEQZMTCMJKU-UHFFFAOYSA-N 0 3 306.409 3.431 20 30 DGEDHN N#Cc1ccc(CNCCc2ccnn2-c2ccccc2)c(F)c1 ZINC001560593794 1189345493 /nfs/dbraw/zinc/34/54/93/1189345493.db2.gz OPMJAAYNOLPZKQ-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN CC1(C)CC2(CO1)CCC(NCc1nc(C#N)cs1)CC2 ZINC001560604103 1189346629 /nfs/dbraw/zinc/34/66/29/1189346629.db2.gz ZYOVQZGSZGQEJZ-UHFFFAOYSA-N 0 3 305.447 3.232 20 30 DGEDHN Cc1cccc(OCCN(C)Cc2cc(C#N)ccc2N(C)C)c1 ZINC001560680419 1189359294 /nfs/dbraw/zinc/35/92/94/1189359294.db2.gz ZGVWJGZPBTZWRJ-UHFFFAOYSA-N 0 3 323.440 3.444 20 30 DGEDHN Cc1cc(CN2CCN(C)C[C@@H]2Cc2ccccc2)ccc1C#N ZINC001560917497 1189405364 /nfs/dbraw/zinc/40/53/64/1189405364.db2.gz PYIONJLWQXVWBK-NRFANRHFSA-N 0 3 319.452 3.225 20 30 DGEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NCC2(C#N)CCOCC2)C1 ZINC001561045284 1189425470 /nfs/dbraw/zinc/42/54/70/1189425470.db2.gz WWDKYIQZYFUWFH-IAGOWNOFSA-N 0 3 313.445 3.326 20 30 DGEDHN CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCC#Cc1ccccc1 ZINC001565957317 1189434755 /nfs/dbraw/zinc/43/47/55/1189434755.db2.gz HKHWGGODIBODAX-MJGOQNOKSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001563853369 1189538244 /nfs/dbraw/zinc/53/82/44/1189538244.db2.gz AVPXTDZZTQYQJN-SJORKVTESA-N 0 3 321.509 3.093 20 30 DGEDHN C#CCN(C(=O)NCCCCC1CCCC1)C1CCN(C)CC1 ZINC001564129243 1189551825 /nfs/dbraw/zinc/55/18/25/1189551825.db2.gz LREQHUYUZXADSE-UHFFFAOYSA-N 0 3 319.493 3.086 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001565821636 1189675818 /nfs/dbraw/zinc/67/58/18/1189675818.db2.gz NOLNWSUEZCYLAC-KBPBESRZSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001565829357 1189681246 /nfs/dbraw/zinc/68/12/46/1189681246.db2.gz DVVASWILGLZMCC-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC001565829469 1189681472 /nfs/dbraw/zinc/68/14/72/1189681472.db2.gz HKCPOZJNRIOWGM-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001565830461 1189681757 /nfs/dbraw/zinc/68/17/57/1189681757.db2.gz WCAKENFHZDONNO-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001565830701 1189682115 /nfs/dbraw/zinc/68/21/15/1189682115.db2.gz YNCMXDXKWLDGBW-GOSISDBHSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001565833787 1189684613 /nfs/dbraw/zinc/68/46/13/1189684613.db2.gz QPHVIKMHXRLPLL-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001565839252 1189686967 /nfs/dbraw/zinc/68/69/67/1189686967.db2.gz DDRDMDHOMOSDQB-BDMQASLISA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(F)F)C1 ZINC001565880575 1189699441 /nfs/dbraw/zinc/69/94/41/1189699441.db2.gz UXYWSVIYVIZMKR-JKSUJKDBSA-N 0 3 322.399 3.192 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(CC)CC ZINC001565992969 1189710747 /nfs/dbraw/zinc/71/07/47/1189710747.db2.gz NSCSGETURFGJEZ-IXDOHACOSA-N 0 3 304.478 3.051 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CCCC)CC2)CC(C)(C)C1 ZINC001566131913 1189744677 /nfs/dbraw/zinc/74/46/77/1189744677.db2.gz SBAPAWRLFKICNM-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001566491242 1189782805 /nfs/dbraw/zinc/78/28/05/1189782805.db2.gz RCRNNGKMKLJYIL-GOSISDBHSA-N 0 3 314.473 3.340 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cccnc1C)C1CC1 ZINC001566593460 1189812520 /nfs/dbraw/zinc/81/25/20/1189812520.db2.gz AXNOLLWVQYZHPU-UHFFFAOYSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(C)c(Cl)c1F)C1CC1 ZINC001566592640 1189814245 /nfs/dbraw/zinc/81/42/45/1189814245.db2.gz WPHWDRJPNPSNTD-UHFFFAOYSA-N 0 3 322.811 3.005 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001566611974 1189823648 /nfs/dbraw/zinc/82/36/48/1189823648.db2.gz WBISIPALAASLIE-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001566817094 1189912971 /nfs/dbraw/zinc/91/29/71/1189912971.db2.gz CPXHXEKLACTCRH-YQQQUEKLSA-N 0 3 323.440 3.136 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001566852066 1189922163 /nfs/dbraw/zinc/92/21/63/1189922163.db2.gz JTROLDLELSRAOF-VBQJREDUSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C[C@H]1CCCCO1 ZINC001566927600 1189956106 /nfs/dbraw/zinc/95/61/06/1189956106.db2.gz SCRCTXDHHNDROS-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnoc2C)C1 ZINC001566962556 1189972341 /nfs/dbraw/zinc/97/23/41/1189972341.db2.gz JJIXBXQQAXECEZ-HOCLYGCPSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566962590 1189972861 /nfs/dbraw/zinc/97/28/61/1189972861.db2.gz JXFMKZSQZLSQPB-MSOLQXFVSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCC(NCc2ocnc2C)CC1 ZINC001566987333 1189981650 /nfs/dbraw/zinc/98/16/50/1189981650.db2.gz DCRAMXJGTWMMSN-JMLCCBQJSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)cc1OC ZINC001567020500 1189997220 /nfs/dbraw/zinc/99/72/20/1189997220.db2.gz TZMBNUQUWSHPMA-ZDUSSCGKSA-N 0 3 324.852 3.299 20 30 DGEDHN CCC[C@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001567091791 1190027891 /nfs/dbraw/zinc/02/78/91/1190027891.db2.gz GCBYTKMJWLOWOA-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001567201576 1190066485 /nfs/dbraw/zinc/06/64/85/1190066485.db2.gz CSYPKUSTEICWKA-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(F)cc2ccoc21 ZINC001567219862 1190077265 /nfs/dbraw/zinc/07/72/65/1190077265.db2.gz KDGJAFYGVZPEQZ-NSHDSACASA-N 0 3 324.783 3.422 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(C(C)C)n1 ZINC001567222151 1190077922 /nfs/dbraw/zinc/07/79/22/1190077922.db2.gz UKGLLPYELMXYTA-ZDUSSCGKSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC=CCC1 ZINC001567245373 1190088591 /nfs/dbraw/zinc/08/85/91/1190088591.db2.gz YKCNGRRJAZQYJQ-CVEARBPZSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cccc(C)n1 ZINC001567243789 1190089412 /nfs/dbraw/zinc/08/94/12/1190089412.db2.gz AUHZDKQIRGBOIB-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@@H]1CCCN1Cc1cncs1 ZINC001567253717 1190097823 /nfs/dbraw/zinc/09/78/23/1190097823.db2.gz CLSLTRGOGXWMHT-OAHLLOKOSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001567367128 1190155337 /nfs/dbraw/zinc/15/53/37/1190155337.db2.gz VNXRNYBRJVWMPA-AEFFLSMTSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001567409846 1190176511 /nfs/dbraw/zinc/17/65/11/1190176511.db2.gz PYMYBTWEGOADDY-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001567410098 1190176565 /nfs/dbraw/zinc/17/65/65/1190176565.db2.gz VHHUDRJNARIQKU-QZTJIDSGSA-N 0 3 304.478 3.220 20 30 DGEDHN CC/C=C(\C)C(=O)NCCN(CCC)Cc1ccc(C#N)cc1 ZINC001567423295 1190183181 /nfs/dbraw/zinc/18/31/81/1190183181.db2.gz MRSGGJOWWAAAMO-OMCISZLKSA-N 0 3 313.445 3.243 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(C)c(Cl)cc1C)C1CC1 ZINC001567446789 1190197649 /nfs/dbraw/zinc/19/76/49/1190197649.db2.gz IQMPLMREYAYVRR-UHFFFAOYSA-N 0 3 306.837 3.337 20 30 DGEDHN C=CCN(CCNC(=O)CC(C)(C)CC(F)(F)F)C1CC1 ZINC001567453726 1190201939 /nfs/dbraw/zinc/20/19/39/1190201939.db2.gz QNKUCTSFXQRNBX-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN CC(C)N(CCCNC(=O)C1CCC1)Cc1ccc(C#N)s1 ZINC001567635975 1190231928 /nfs/dbraw/zinc/23/19/28/1190231928.db2.gz LUXDZQOAUFAYPW-UHFFFAOYSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1 ZINC001567653802 1190237420 /nfs/dbraw/zinc/23/74/20/1190237420.db2.gz DBOCYJZHXQFVFS-ATZDWAIDSA-N 0 3 312.457 3.236 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(F)CCCC1)c1ccccc1 ZINC001567660613 1190241299 /nfs/dbraw/zinc/24/12/99/1190241299.db2.gz FJBOIYHGHRZKRP-MRXNPFEDSA-N 0 3 304.409 3.292 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001567666103 1190242964 /nfs/dbraw/zinc/24/29/64/1190242964.db2.gz RYHZOPUWXLHXPV-QFBILLFUSA-N 0 3 308.425 3.423 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(CC/C=C/c2ccccc2)C1 ZINC001567762623 1190290714 /nfs/dbraw/zinc/29/07/14/1190290714.db2.gz AXLXTLIFDNCCHC-HSSRVXSRSA-N 0 3 324.468 3.330 20 30 DGEDHN Cc1cccc([C@H](C)N2CC(CNC(=O)C#CC(C)(C)C)C2)c1 ZINC001567829719 1190313569 /nfs/dbraw/zinc/31/35/69/1190313569.db2.gz UUVWMYQVIXTXSZ-INIZCTEOSA-N 0 3 312.457 3.154 20 30 DGEDHN CC#CCCCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001567837856 1190315234 /nfs/dbraw/zinc/31/52/34/1190315234.db2.gz PZLRRSXHMQMLDL-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)C2 ZINC001567858439 1190322785 /nfs/dbraw/zinc/32/27/85/1190322785.db2.gz JKLDYGAECLTBKZ-UEMOBTBKSA-N 0 3 302.462 3.207 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001567878199 1190330873 /nfs/dbraw/zinc/33/08/73/1190330873.db2.gz OHMBAOJRNICURJ-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001567919126 1190353437 /nfs/dbraw/zinc/35/34/37/1190353437.db2.gz VGQYFFAYTSYKII-LJQANCHMSA-N 0 3 312.457 3.221 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001567927421 1190358443 /nfs/dbraw/zinc/35/84/43/1190358443.db2.gz LPBVWBTWOGGGPR-SJLPKXTDSA-N 0 3 304.478 3.149 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001567958855 1190376217 /nfs/dbraw/zinc/37/62/17/1190376217.db2.gz BSLCSWGHEDNGNP-WDBUWWRISA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@@H](CNC(=O)C1(C)CCCC1)NCc1ccc(C#N)s1 ZINC001567970743 1190382034 /nfs/dbraw/zinc/38/20/34/1190382034.db2.gz PSHDKYYVAQPBNJ-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)CC)NCC#Cc1ccc(F)cc1 ZINC001567974613 1190384094 /nfs/dbraw/zinc/38/40/94/1190384094.db2.gz BZEOQQXOIUFFJV-QGZVFWFLSA-N 0 3 318.436 3.098 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cccc(C3CC3)c2)cc1 ZINC001568121765 1190427624 /nfs/dbraw/zinc/42/76/24/1190427624.db2.gz NCRSKUXFSJMYHT-UHFFFAOYSA-N 0 3 318.420 3.217 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(F)s2)CCCC1 ZINC001568247567 1190461794 /nfs/dbraw/zinc/46/17/94/1190461794.db2.gz IYTNGCLGBWCXME-UHFFFAOYSA-N 0 3 316.829 3.272 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](CCCC)C(C)C)CC2 ZINC001568253555 1190462946 /nfs/dbraw/zinc/46/29/46/1190462946.db2.gz JAXMQQCJOKVQFV-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C/C=C(\C)C(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001568265120 1190467549 /nfs/dbraw/zinc/46/75/49/1190467549.db2.gz SUFRNKDJDWSGAI-JVDKPVQESA-N 0 3 318.848 3.094 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001568386669 1190508016 /nfs/dbraw/zinc/50/80/16/1190508016.db2.gz GYRBXGQOHRNKMX-AWEZNQCLSA-N 0 3 316.848 3.382 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C(C)C ZINC001568457182 1190527534 /nfs/dbraw/zinc/52/75/34/1190527534.db2.gz HYLITGSDYGCTTG-LVQVYYBASA-N 0 3 312.885 3.296 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1cnc(C)s1)C(C)C ZINC001568461391 1190529124 /nfs/dbraw/zinc/52/91/24/1190529124.db2.gz USGKDUKAXYQGRK-RDJZCZTQSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)c1ccccc1)C(C)C ZINC001568466932 1190530809 /nfs/dbraw/zinc/53/08/09/1190530809.db2.gz JPJTWQYYCBCITA-GOEBONIOSA-N 0 3 308.853 3.273 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001568497414 1190549248 /nfs/dbraw/zinc/54/92/48/1190549248.db2.gz CYDKHRAYCOFUFN-SFHVURJKSA-N 0 3 306.494 3.397 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(c2ccccc2C)CCC1 ZINC001568503251 1190551258 /nfs/dbraw/zinc/55/12/58/1190551258.db2.gz AVDQFTCPOBZCCS-UHFFFAOYSA-N 0 3 314.473 3.383 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(Sc2ccccc2)CC1 ZINC001568551430 1190564227 /nfs/dbraw/zinc/56/42/27/1190564227.db2.gz DGRDGAVFIDIQRL-UHFFFAOYSA-N 0 3 318.486 3.278 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001568637583 1190572224 /nfs/dbraw/zinc/57/22/24/1190572224.db2.gz XJCWPEMWUWNRNA-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C(C)C)cn1 ZINC001568678575 1190577443 /nfs/dbraw/zinc/57/74/43/1190577443.db2.gz VEGHZPKKMAWMLQ-ZDUSSCGKSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ncsc1C(C)C ZINC001568697778 1190579717 /nfs/dbraw/zinc/57/97/17/1190579717.db2.gz RJSBJAPELHUYOH-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN CC#CCCCC(=O)N(CC)CCNCc1cc(F)ccc1C ZINC001568767729 1190587289 /nfs/dbraw/zinc/58/72/89/1190587289.db2.gz OQJYLFNKEOVUJX-UHFFFAOYSA-N 0 3 318.436 3.266 20 30 DGEDHN C=CCCC(=O)NC/C=C\CN[C@@H]1CCc2c1cc(F)cc2F ZINC001568825145 1190591953 /nfs/dbraw/zinc/59/19/53/1190591953.db2.gz FQDJUUIGMZXDTI-VGOKWCNXSA-N 0 3 320.383 3.180 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)CNCc2cc(C)ccc2F)cc1 ZINC001569011876 1190608023 /nfs/dbraw/zinc/60/80/23/1190608023.db2.gz YJZIOVAPYCXUKV-OAHLLOKOSA-N 0 3 324.399 3.024 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CNCc1ccc(C)cc1Cl ZINC001569053467 1190614114 /nfs/dbraw/zinc/61/41/14/1190614114.db2.gz BQHOICAWZIJLEM-AWEZNQCLSA-N 0 3 306.837 3.046 20 30 DGEDHN CN1CCN(C(=O)/C=C\c2ccccc2C#N)CC12CCCCC2 ZINC001569325369 1190667014 /nfs/dbraw/zinc/66/70/14/1190667014.db2.gz KEBARFZRYWMWOP-KTKRTIGZSA-N 0 3 323.440 3.048 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)Cc1ccccc1 ZINC001569380822 1190685885 /nfs/dbraw/zinc/68/58/85/1190685885.db2.gz XKSYYBWCKYJCIV-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001569381325 1190686808 /nfs/dbraw/zinc/68/68/08/1190686808.db2.gz NFSKEOIWXMFLEL-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2c(F)cccc2F)CC1 ZINC001569574173 1190719306 /nfs/dbraw/zinc/71/93/06/1190719306.db2.gz ASKRFZDNIJDXJE-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN([C@H](C)c2cccc(OC)c2)C1 ZINC001569631635 1190726726 /nfs/dbraw/zinc/72/67/26/1190726726.db2.gz DYEASWHCQBHLRO-BEFAXECRSA-N 0 3 316.445 3.303 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN([C@@H](C)c2cccc(OC)c2)C1 ZINC001569631637 1190726824 /nfs/dbraw/zinc/72/68/24/1190726824.db2.gz DYEASWHCQBHLRO-HNAYVOBHSA-N 0 3 316.445 3.303 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001569707414 1190744303 /nfs/dbraw/zinc/74/43/03/1190744303.db2.gz YONOLAHECUXUHU-UHFFFAOYSA-N 0 3 324.468 3.031 20 30 DGEDHN C#CCCN[C@H](CNC(=O)/C(C)=C/CC)c1ccccc1CC ZINC001569800437 1190755468 /nfs/dbraw/zinc/75/54/68/1190755468.db2.gz QIFULBHHTQMEEZ-KZIRBZLESA-N 0 3 312.457 3.376 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)/C(C)=C\CC)c1ccccc1CC ZINC001569800438 1190755810 /nfs/dbraw/zinc/75/58/10/1190755810.db2.gz QIFULBHHTQMEEZ-QMDZLVRISA-N 0 3 312.457 3.376 20 30 DGEDHN CCCCC(=O)N1CC[C@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001569804946 1190756812 /nfs/dbraw/zinc/75/68/12/1190756812.db2.gz RCGSJIZYTNKXNV-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001569978864 1190778529 /nfs/dbraw/zinc/77/85/29/1190778529.db2.gz MCIATDWEPGIYED-CYBMUJFWSA-N 0 3 312.866 3.251 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1(C(F)F)CCC1 ZINC001570027059 1190783260 /nfs/dbraw/zinc/78/32/60/1190783260.db2.gz UEYXGZFPGVOTRX-UHFFFAOYSA-N 0 3 322.399 3.356 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1(C)CC(=C)C1 ZINC001570028464 1190783833 /nfs/dbraw/zinc/78/38/33/1190783833.db2.gz WJZKAFGOOMMQAG-UHFFFAOYSA-N 0 3 310.441 3.114 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001570105146 1190796647 /nfs/dbraw/zinc/79/66/47/1190796647.db2.gz JXSWLBOUWDEXBU-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCNC1(CNC(=O)CCCCc2ccccc2)CCC1 ZINC001570115557 1190798789 /nfs/dbraw/zinc/79/87/89/1190798789.db2.gz WULHHVGQYRLOBU-UHFFFAOYSA-N 0 3 312.457 3.051 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2oc(C)nc2C)CC1 ZINC001570178057 1190808214 /nfs/dbraw/zinc/80/82/14/1190808214.db2.gz YGFRYQKQJMLBDX-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001570185776 1190811684 /nfs/dbraw/zinc/81/16/84/1190811684.db2.gz RGHLGGPRCAORJM-ZWKOTPCHSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)CCC=C ZINC001570269015 1190833170 /nfs/dbraw/zinc/83/31/70/1190833170.db2.gz MRJISHYRKAULKV-IBGZPJMESA-N 0 3 312.457 3.462 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CCCC)C2 ZINC001570273455 1190834280 /nfs/dbraw/zinc/83/42/80/1190834280.db2.gz QLOXOXIEGDJRAH-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C[C@H]1CN(C(=O)C2CCCCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001570329828 1190839404 /nfs/dbraw/zinc/83/94/04/1190839404.db2.gz IPGCESFMRMHTQP-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](NCc2ccccc2F)C1 ZINC001570341397 1190840712 /nfs/dbraw/zinc/84/07/12/1190840712.db2.gz AIXVWDHJUJOJHS-WMLDXEAASA-N 0 3 318.436 3.365 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001570395787 1190852140 /nfs/dbraw/zinc/85/21/40/1190852140.db2.gz QIFYXZQSKARTJU-WBVHZDCISA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@@](C)(CC)CCC)C(C)(C)C1 ZINC001570397072 1190852301 /nfs/dbraw/zinc/85/23/01/1190852301.db2.gz BEUXCOZQHJKTAM-APWZRJJASA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccccc2)C(C)(C)C1 ZINC001570400328 1190853246 /nfs/dbraw/zinc/85/32/46/1190853246.db2.gz XFKILTIQCREPNJ-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN CCCCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001570429731 1190855638 /nfs/dbraw/zinc/85/56/38/1190855638.db2.gz WUCIGHUVADJOQV-QAPCUYQASA-N 0 3 313.445 3.218 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001570519216 1190873868 /nfs/dbraw/zinc/87/38/68/1190873868.db2.gz FSEHRGLFNRKHDK-IAGOWNOFSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)OC1CCCCC1 ZINC001570530102 1190876544 /nfs/dbraw/zinc/87/65/44/1190876544.db2.gz DKASNNYXJWUGDR-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)nc1C(C)C ZINC001570536360 1190879245 /nfs/dbraw/zinc/87/92/45/1190879245.db2.gz NQCFXTJCNDQJBU-MRXNPFEDSA-N 0 3 315.461 3.236 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C/C=C\Cc1ccccc1 ZINC001570534979 1190879404 /nfs/dbraw/zinc/87/94/04/1190879404.db2.gz UMGCBNYWHOFIRT-QULHZPMSSA-N 0 3 312.457 3.284 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCOC1CCC1 ZINC001570537261 1190880441 /nfs/dbraw/zinc/88/04/41/1190880441.db2.gz AMLWSMIQOXUZSF-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001570581196 1190890938 /nfs/dbraw/zinc/89/09/38/1190890938.db2.gz LDKMPFFFDJZSDC-UHFFFAOYSA-N 0 3 318.848 3.415 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl)C1 ZINC001570634292 1190907063 /nfs/dbraw/zinc/90/70/63/1190907063.db2.gz SIXICPRHCBYIDH-GHMZBOCLSA-N 0 3 305.249 3.145 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001570709668 1190926389 /nfs/dbraw/zinc/92/63/89/1190926389.db2.gz UCFBKZAFAGEAKJ-ZDUSSCGKSA-N 0 3 306.475 3.105 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001570728597 1190933802 /nfs/dbraw/zinc/93/38/02/1190933802.db2.gz SFDICWHVMMHICT-DYVFJYSZSA-N 0 3 318.436 3.462 20 30 DGEDHN CC(C)=CC(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001570791467 1190950100 /nfs/dbraw/zinc/95/01/00/1190950100.db2.gz ADQOKKKHXATYSZ-UHFFFAOYSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2[nH]c(C)cc2C)CCCCC1 ZINC001570797566 1190951165 /nfs/dbraw/zinc/95/11/65/1190951165.db2.gz ZIVQYKIYVDUFET-UHFFFAOYSA-N 0 3 323.868 3.406 20 30 DGEDHN C=CCCCC(=O)N1CCC(N(C)Cc2oc(C)nc2C)CC1 ZINC001571333289 1190995131 /nfs/dbraw/zinc/99/51/31/1190995131.db2.gz LOBCSUOXWTZFCX-UHFFFAOYSA-N 0 3 319.449 3.071 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC001571490828 1191030034 /nfs/dbraw/zinc/03/00/34/1191030034.db2.gz JIKHLHZKSNUTPL-HNAYVOBHSA-N 0 3 306.409 3.056 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCC3CCCCCC3)CCC[C@H]12 ZINC001571500782 1191033348 /nfs/dbraw/zinc/03/33/48/1191033348.db2.gz IFTNECORPUAPEM-AZUAARDMSA-N 0 3 316.489 3.483 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CC)CC3CCCC3)CCC[C@@H]12 ZINC001571503074 1191034204 /nfs/dbraw/zinc/03/42/04/1191034204.db2.gz MKYZYBIAFKWARR-QWFCFKBJSA-N 0 3 316.489 3.339 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(C)C ZINC001571613296 1191058539 /nfs/dbraw/zinc/05/85/39/1191058539.db2.gz QDFZPBINHMDQLN-QZTJIDSGSA-N 0 3 318.505 3.417 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)Oc1ccccc1)C(C)C ZINC001571615764 1191062500 /nfs/dbraw/zinc/06/25/00/1191062500.db2.gz DEUCUKKXBNJIQH-KRWDZBQOSA-N 0 3 318.461 3.199 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001571650501 1191074574 /nfs/dbraw/zinc/07/45/74/1191074574.db2.gz VGGLJIICRCYLAQ-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](CC=C)c2ccccc2)CC1 ZINC001571651490 1191075529 /nfs/dbraw/zinc/07/55/29/1191075529.db2.gz WDDCVJWXKVSVDS-PXNSSMCTSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC001571691060 1191083309 /nfs/dbraw/zinc/08/33/09/1191083309.db2.gz YLGRBUOUJKZEJO-UHFFFAOYSA-N 0 3 323.440 3.035 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC001574850226 1191453948 /nfs/dbraw/zinc/45/39/48/1191453948.db2.gz WRUFQSITZCJDGC-VQISRLSMSA-N 0 3 322.836 3.364 20 30 DGEDHN C=CC[C@@H](C(=O)Nc1ccnc([C@@H]2CCCN2)n1)c1ccccc1 ZINC001574889976 1191455777 /nfs/dbraw/zinc/45/57/77/1191455777.db2.gz VNDICVKYOHHVMH-CVEARBPZSA-N 0 3 322.412 3.200 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](N)c1ccccc1 ZINC001574890438 1191456027 /nfs/dbraw/zinc/45/60/27/1191456027.db2.gz VHHCBMOQXKJGKZ-RBUKOAKNSA-N 0 3 308.425 3.380 20 30 DGEDHN CC#CC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC001574971374 1191461294 /nfs/dbraw/zinc/46/12/94/1191461294.db2.gz CVMMMUIGXRUPEI-INIZCTEOSA-N 0 3 318.848 3.009 20 30 DGEDHN CC(C)Cn1ncc(NC(=O)[C@H](N)CCCCC#N)c1C(C)C ZINC001575681412 1191501657 /nfs/dbraw/zinc/50/16/57/1191501657.db2.gz LUKDQNGTFDSFLW-CQSZACIVSA-N 0 3 319.453 3.012 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CCCC2)C1 ZINC001618678204 1193747785 /nfs/dbraw/zinc/74/77/85/1193747785.db2.gz VTDOESWLOHMAEQ-RHSMWYFYSA-N 0 3 311.429 3.397 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2cccc(O)c21 ZINC001618813844 1193752768 /nfs/dbraw/zinc/75/27/68/1193752768.db2.gz MRQLBDJEUQICRQ-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCc2ccccc21 ZINC001618808165 1193753300 /nfs/dbraw/zinc/75/33/00/1193753300.db2.gz XAXWGYFUDXLNGY-SFHVURJKSA-N 0 3 300.446 3.073 20 30 DGEDHN C#CCC1(NCc2cccc(C(=O)OC)c2C#N)CCCCC1 ZINC001620611935 1193782841 /nfs/dbraw/zinc/78/28/41/1193782841.db2.gz MXNDQNSZQGPWLT-UHFFFAOYSA-N 0 3 310.397 3.161 20 30 DGEDHN C#Cc1ccc(CN2CCCC[C@@H]2COC(=O)NCCC)cc1 ZINC001621318173 1193830108 /nfs/dbraw/zinc/83/01/08/1193830108.db2.gz YJOUSXROTCUFFL-GOSISDBHSA-N 0 3 314.429 3.159 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)CCN1C ZINC001625091798 1194032150 /nfs/dbraw/zinc/03/21/50/1194032150.db2.gz NIAGDUUQFIIKEL-ZWNOBZJWSA-N 0 3 320.462 3.131 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1csc(C(F)(F)F)c1 ZINC001626751167 1194093856 /nfs/dbraw/zinc/09/38/56/1194093856.db2.gz WDVMUTXSCSDQFP-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2cccc(C)c2o1 ZINC001634640847 1194506487 /nfs/dbraw/zinc/50/64/87/1194506487.db2.gz ONWDGFQQUJGBGK-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cnc(C(C)(C)C)s1 ZINC001634641201 1194506640 /nfs/dbraw/zinc/50/66/40/1194506640.db2.gz ZXZRCDHGQDYOSV-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1ccccc1C ZINC001635753115 1194569593 /nfs/dbraw/zinc/56/95/93/1194569593.db2.gz HMOYVZQPYMGAKC-BMRADRMJSA-N 0 3 300.446 3.365 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC001635757829 1194570154 /nfs/dbraw/zinc/57/01/54/1194570154.db2.gz NESUBDOHYFSRDR-RYQLBKOJSA-N 0 3 300.446 3.002 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1ccc(CC)cc1 ZINC001640016249 1194791521 /nfs/dbraw/zinc/79/15/21/1194791521.db2.gz UFTPSVVMCIXVMY-UHFFFAOYSA-N 0 3 316.489 3.493 20 30 DGEDHN C=CCCCC(=O)NC1(C)CCN(Cc2cnccc2C)CC1 ZINC001671423735 1194826467 /nfs/dbraw/zinc/82/64/67/1194826467.db2.gz TXPGHIRUJLROHU-UHFFFAOYSA-N 0 3 315.461 3.217 20 30 DGEDHN N#Cc1ccc(N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c(F)c1 ZINC001641669889 1194865982 /nfs/dbraw/zinc/86/59/82/1194865982.db2.gz GRUVTOASXWBBMR-ZACQAIPSSA-N 0 3 313.420 3.256 20 30 DGEDHN C=CCN(C)CCN(CC)c1ncnc2sc(CC)cc21 ZINC001642862836 1194949299 /nfs/dbraw/zinc/94/92/99/1194949299.db2.gz OUNPTLGILCZGPB-UHFFFAOYSA-N 0 3 304.463 3.198 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCC=C(c3ccccc3)C2)c1 ZINC001643038198 1194962124 /nfs/dbraw/zinc/96/21/24/1194962124.db2.gz HDWMDDPWOTVQGV-HXUWFJFHSA-N 0 3 304.393 3.381 20 30 DGEDHN C#CCCCCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001643253090 1195008648 /nfs/dbraw/zinc/00/86/48/1195008648.db2.gz BBRJHSMHDQARSA-RBUKOAKNSA-N 0 3 303.421 3.370 20 30 DGEDHN N#Cc1ccc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)s1 ZINC001644466376 1195110127 /nfs/dbraw/zinc/11/01/27/1195110127.db2.gz XFPMBSXNCCHXIB-MAUKXSAKSA-N 0 3 310.422 3.020 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)C1 ZINC001644469624 1195110250 /nfs/dbraw/zinc/11/02/50/1195110250.db2.gz FLDOWLZLMJZZHA-JKSUJKDBSA-N 0 3 316.420 3.080 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccco1 ZINC001644706922 1195127800 /nfs/dbraw/zinc/12/78/00/1195127800.db2.gz PAPFRFNHDOLTNO-ZACQAIPSSA-N 0 3 316.445 3.415 20 30 DGEDHN CC[C@]1(C)CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001644943831 1195144854 /nfs/dbraw/zinc/14/48/54/1195144854.db2.gz BQNRHQLPQQTQAU-BDFRZKONSA-N 0 3 319.493 3.428 20 30 DGEDHN C/C=C/C[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001647921332 1195265164 /nfs/dbraw/zinc/26/51/64/1195265164.db2.gz RIZLKLBCJFGNMR-IEOKLDEVSA-N 0 3 323.440 3.342 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001648280007 1195288847 /nfs/dbraw/zinc/28/88/47/1195288847.db2.gz DDGLVFOBDMDTCW-GPMSIDNRSA-N 0 3 313.445 3.078 20 30 DGEDHN COC(C)(C)[C@H](C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC001648392325 1195297556 /nfs/dbraw/zinc/29/75/56/1195297556.db2.gz SFCHLHSMIHZHJO-LBPRGKRZSA-N 0 3 315.335 3.340 20 30 DGEDHN C=CCCCN(CC)CC(=O)NCC1(c2ccccc2)CC1 ZINC001648544027 1195308099 /nfs/dbraw/zinc/30/80/99/1195308099.db2.gz CZHMBQJWAIBTAL-UHFFFAOYSA-N 0 3 300.446 3.123 20 30 DGEDHN CCC(C)(C)N1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC001651195690 1195425477 /nfs/dbraw/zinc/42/54/77/1195425477.db2.gz KIROOLPZOXISQF-UHFFFAOYSA-N 0 3 316.405 3.086 20 30 DGEDHN N#Cc1ccc(CNCc2cc(-n3ccnc3)cs2)s1 ZINC001651233808 1195430224 /nfs/dbraw/zinc/43/02/24/1195430224.db2.gz FQUYEFSNLPVZHR-UHFFFAOYSA-N 0 3 300.412 3.157 20 30 DGEDHN CN(C)CC#CCNc1nc2ccccc2c(-c2ccccc2)n1 ZINC001651314775 1195443079 /nfs/dbraw/zinc/44/30/79/1195443079.db2.gz CHBUWPHYQMYHIB-UHFFFAOYSA-N 0 3 316.408 3.274 20 30 DGEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cc(C)n1 ZINC001651340866 1195446435 /nfs/dbraw/zinc/44/64/35/1195446435.db2.gz WOAMAAIQBDZOAJ-UHFFFAOYSA-N 0 3 321.424 3.366 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](Nc3nccc(C)c3C#N)C2)cc1 ZINC001651350349 1195447924 /nfs/dbraw/zinc/44/79/24/1195447924.db2.gz FVEGLGPVAUOZTI-QGZVFWFLSA-N 0 3 306.413 3.257 20 30 DGEDHN CCN1CC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC001651359132 1195448432 /nfs/dbraw/zinc/44/84/32/1195448432.db2.gz ZUBZPFVBWFDFDH-GFCCVEGCSA-N 0 3 300.793 3.266 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc3ccccc3nc2F)CC1 ZINC001651492047 1195470553 /nfs/dbraw/zinc/47/05/53/1195470553.db2.gz AUHIBZVLHUPHGY-UHFFFAOYSA-N 0 3 300.381 3.221 20 30 DGEDHN C#CCC[C@@H](O)CNCc1ccc(-c2ccccc2)cc1OC ZINC001651499902 1195471686 /nfs/dbraw/zinc/47/16/86/1195471686.db2.gz SLFATZNFVVOUIH-LJQANCHMSA-N 0 3 309.409 3.226 20 30 DGEDHN C#CCN(Cc1cc(C(=O)OCC)c(C)[nH]1)C1CCCCC1 ZINC001651831747 1195514820 /nfs/dbraw/zinc/51/48/20/1195514820.db2.gz XUYUGLONAMFPAN-UHFFFAOYSA-N 0 3 302.418 3.268 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001653251919 1195704381 /nfs/dbraw/zinc/70/43/81/1195704381.db2.gz OLJQLXDCDATMSB-HXUWFJFHSA-N 0 3 317.392 3.152 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CCc2ccccc2[C@H]1CO ZINC001653683340 1195743524 /nfs/dbraw/zinc/74/35/24/1195743524.db2.gz WBWNOXLWACYGQL-HXUWFJFHSA-N 0 3 306.409 3.267 20 30 DGEDHN C=CCC(C)(C)CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001654605587 1195823195 /nfs/dbraw/zinc/82/31/95/1195823195.db2.gz GJLRUVZZSNCWSU-KRWDZBQOSA-N 0 3 318.461 3.453 20 30 DGEDHN C#CCCN(CCOC)Cc1cccc(Br)c1C ZINC001655165208 1195884926 /nfs/dbraw/zinc/88/49/26/1195884926.db2.gz XBDPCYSQYHEXTM-UHFFFAOYSA-N 0 3 310.235 3.229 20 30 DGEDHN C=CCOc1cccc(CNCc2ccnc(-n3cccn3)c2)c1 ZINC001655254904 1195896337 /nfs/dbraw/zinc/89/63/37/1195896337.db2.gz VADQUMONIIUQCB-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN CC1(C)CCCN(CCNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001655420228 1195915261 /nfs/dbraw/zinc/91/52/61/1195915261.db2.gz ZINNGDPNFKTGMD-UHFFFAOYSA-N 0 3 302.378 3.000 20 30 DGEDHN C#CCN(CCOCCOCC)[C@H]1CCCc2ccccc21 ZINC001655692682 1195950243 /nfs/dbraw/zinc/95/02/43/1195950243.db2.gz QZIAHJCXLODVNN-IBGZPJMESA-N 0 3 301.430 3.052 20 30 DGEDHN CCCCCCCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC001655976016 1195984307 /nfs/dbraw/zinc/98/43/07/1195984307.db2.gz RSQIRLDRTAVOPI-UHFFFAOYSA-N 0 3 309.454 3.435 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1cccc(Cl)c1 ZINC001656080546 1195995707 /nfs/dbraw/zinc/99/57/07/1195995707.db2.gz IHMCIQRLWMBLLM-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(F)ccc(C)c1F ZINC001656089316 1195997796 /nfs/dbraw/zinc/99/77/96/1195997796.db2.gz SMYDWWSOXZKLGB-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001656101842 1196000852 /nfs/dbraw/zinc/00/08/52/1196000852.db2.gz DUQBHSWZGWBEIY-IBGZPJMESA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2ccccc2n1 ZINC001656105514 1196002175 /nfs/dbraw/zinc/00/21/75/1196002175.db2.gz GHNFGXVIAPFOQS-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001656103233 1196002276 /nfs/dbraw/zinc/00/22/76/1196002276.db2.gz YSNFMOSIWIMBCE-STQMWFEESA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001656354112 1196032322 /nfs/dbraw/zinc/03/23/22/1196032322.db2.gz QJYAXFVVSOAEMG-VHDGCEQUSA-N 0 3 324.852 3.085 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cccnc1 ZINC001656567295 1196050920 /nfs/dbraw/zinc/05/09/20/1196050920.db2.gz SALOMPLMLNUIDI-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN CCCCCCCOc1cccc(CN[C@@H]2COCC[C@H]2O)c1 ZINC001656826018 1196074104 /nfs/dbraw/zinc/07/41/04/1196074104.db2.gz ZREMGQQWTURESI-RTBURBONSA-N 0 3 321.461 3.275 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)CSC)C1 ZINC001656880414 1196078465 /nfs/dbraw/zinc/07/84/65/1196078465.db2.gz DPDNIOPHBLTSJS-OCCSQVGLSA-N 0 3 318.914 3.099 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)[C@@H]1C ZINC001656941561 1196085009 /nfs/dbraw/zinc/08/50/09/1196085009.db2.gz DCJDAQZCPSJNKF-PBHICJAKSA-N 0 3 318.486 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)[C@H]1C ZINC001657047560 1196095801 /nfs/dbraw/zinc/09/58/01/1196095801.db2.gz FRULSXIVYHZFPI-DAYGRLMNSA-N 0 3 318.436 3.159 20 30 DGEDHN C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001657055586 1196097715 /nfs/dbraw/zinc/09/77/15/1196097715.db2.gz AQGBROPEDQJVNM-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001657055586 1196097716 /nfs/dbraw/zinc/09/77/16/1196097716.db2.gz AQGBROPEDQJVNM-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCCC1CCOCC1 ZINC001657067126 1196100022 /nfs/dbraw/zinc/10/00/22/1196100022.db2.gz HWMKUQPUPFWKFO-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC001657256024 1196124566 /nfs/dbraw/zinc/12/45/66/1196124566.db2.gz YEHGKCGXXQEHGG-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN C#Cc1cccc(CNCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001657532735 1196152255 /nfs/dbraw/zinc/15/22/55/1196152255.db2.gz XDXJHAIVNBVZON-UHFFFAOYSA-N 0 3 301.292 3.279 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1cc(C)c(F)cc1Br ZINC001657879440 1196189710 /nfs/dbraw/zinc/18/97/10/1196189710.db2.gz GVMDNUOEFNGYOU-LBPRGKRZSA-N 0 3 316.214 3.313 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1cc(C)c(F)cc1Br ZINC001657879439 1196189729 /nfs/dbraw/zinc/18/97/29/1196189729.db2.gz GVMDNUOEFNGYOU-GFCCVEGCSA-N 0 3 316.214 3.313 20 30 DGEDHN CCOC[C@H]1CCCCN1Cc1cc(C#N)ccc1N(C)C ZINC001658323913 1196241546 /nfs/dbraw/zinc/24/15/46/1196241546.db2.gz ZKXRTERCJQSBJZ-QGZVFWFLSA-N 0 3 301.434 3.015 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC001658883109 1196313847 /nfs/dbraw/zinc/31/38/47/1196313847.db2.gz DXRNZISJAFRDAA-YOEHRIQHSA-N 0 3 319.832 3.353 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC001659096402 1196343888 /nfs/dbraw/zinc/34/38/88/1196343888.db2.gz MMTIXXMWTNEYQQ-IIDMSEBBSA-N 0 3 311.429 3.174 20 30 DGEDHN CCC(CC)(CNCC(C)(C)C#N)CNC(=O)OC(C)(C)C ZINC001659376523 1196376604 /nfs/dbraw/zinc/37/66/04/1196376604.db2.gz YEHNBWASZHGTAM-UHFFFAOYSA-N 0 3 311.470 3.457 20 30 DGEDHN C=CCN(CC(=O)NCCOc1cccc(Cl)c1)C(C)(C)C ZINC001659463033 1196385946 /nfs/dbraw/zinc/38/59/46/1196385946.db2.gz XWRDXAFNBLZTTG-UHFFFAOYSA-N 0 3 324.852 3.122 20 30 DGEDHN C#C[C@H](N[C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]12)c1ccc(Cl)cc1 ZINC001659929616 1196429486 /nfs/dbraw/zinc/42/94/86/1196429486.db2.gz MGMSERBHBAOZJW-LZDOMEQBSA-N 0 3 317.816 3.192 20 30 DGEDHN C#Cc1ccc(CNC[C@H]2CC(c3ccc(C)cc3)=NO2)cc1 ZINC001659939266 1196430796 /nfs/dbraw/zinc/43/07/96/1196430796.db2.gz OSWMLWJPJQGRRA-LJQANCHMSA-N 0 3 304.393 3.259 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC001660117670 1196447854 /nfs/dbraw/zinc/44/78/54/1196447854.db2.gz BIVSGISNJAJCKR-DYESRHJHSA-N 0 3 324.468 3.379 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2scnc2C)C1 ZINC001660586417 1196500083 /nfs/dbraw/zinc/50/00/83/1196500083.db2.gz NJJMMQMCEUKLSP-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001660855603 1196536600 /nfs/dbraw/zinc/53/66/00/1196536600.db2.gz LEDHAAHGUYONNY-GFCCVEGCSA-N 0 3 312.360 3.378 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001661094155 1196564875 /nfs/dbraw/zinc/56/48/75/1196564875.db2.gz JSXDRWXVRQKFAR-CVEARBPZSA-N 0 3 310.457 3.404 20 30 DGEDHN CC(C)CCC(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001661105937 1196567737 /nfs/dbraw/zinc/56/77/37/1196567737.db2.gz AMGYWWVUVVWCSS-MRXNPFEDSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1ccc(F)cc1F)C1CC1 ZINC001661132078 1196571322 /nfs/dbraw/zinc/57/13/22/1196571322.db2.gz SFMALAMWKUKVFY-KRWDZBQOSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001661172303 1196575315 /nfs/dbraw/zinc/57/53/15/1196575315.db2.gz JWANLOCGENLCOB-QGZVFWFLSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001661463493 1196608500 /nfs/dbraw/zinc/60/85/00/1196608500.db2.gz ZQAJVKXOYMYDTD-BPLDGKMQSA-N 0 3 321.852 3.074 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C(C)(C)C2CCCCC2)C1 ZINC001661742916 1196638870 /nfs/dbraw/zinc/63/88/70/1196638870.db2.gz HARLULZBXIWNRW-MRXNPFEDSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001661742355 1196639387 /nfs/dbraw/zinc/63/93/87/1196639387.db2.gz BQFXRNLFTDHZPZ-ROUUACIJSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001661742958 1196639467 /nfs/dbraw/zinc/63/94/67/1196639467.db2.gz HLMHMXLXTPAUJN-MSOLQXFVSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001661744199 1196640469 /nfs/dbraw/zinc/64/04/69/1196640469.db2.gz WHHRORNGGWNCCK-MOPGFXCFSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1ccc(F)cc1 ZINC001661871717 1196655784 /nfs/dbraw/zinc/65/57/84/1196655784.db2.gz XSNORQHSYAILJY-SFHVURJKSA-N 0 3 318.436 3.305 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001661890846 1196659430 /nfs/dbraw/zinc/65/94/30/1196659430.db2.gz MMCYWZYLQUFUCQ-DLBZAZTESA-N 0 3 316.445 3.001 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1c(C)noc1C ZINC001661921956 1196662838 /nfs/dbraw/zinc/66/28/38/1196662838.db2.gz QYZNNGJRQZMKJT-MRXNPFEDSA-N 0 3 319.449 3.118 20 30 DGEDHN C#CCCCCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#C ZINC001661978682 1196669682 /nfs/dbraw/zinc/66/96/82/1196669682.db2.gz WPFQBCIUJABSBG-RTBURBONSA-N 0 3 314.473 3.049 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001661988794 1196671849 /nfs/dbraw/zinc/67/18/49/1196671849.db2.gz DWVKHFASUJIEPB-ZBFHGGJFSA-N 0 3 306.425 3.024 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001662234782 1196697186 /nfs/dbraw/zinc/69/71/86/1196697186.db2.gz LPAOEVPGNIZURZ-LLVKDONJSA-N 0 3 300.855 3.352 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CCC)c2ccccc2)C1 ZINC001662872203 1196765484 /nfs/dbraw/zinc/76/54/84/1196765484.db2.gz HQYXNIYVXHEBLP-RTBURBONSA-N 0 3 312.457 3.126 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001662872201 1196766003 /nfs/dbraw/zinc/76/60/03/1196766003.db2.gz HQYXNIYVXHEBLP-OALUTQOASA-N 0 3 312.457 3.126 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(CC=C)CCCCC2)C1 ZINC001662878802 1196766376 /nfs/dbraw/zinc/76/63/76/1196766376.db2.gz WFRFOYGDHIFHLF-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1coc2ccccc21 ZINC001663019966 1196784489 /nfs/dbraw/zinc/78/44/89/1196784489.db2.gz LCWOWDYFIZDTGD-GFCCVEGCSA-N 0 3 306.793 3.283 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001663443108 1196870797 /nfs/dbraw/zinc/87/07/97/1196870797.db2.gz NMCNVNLKXQPLRO-NSHDSACASA-N 0 3 300.855 3.129 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001663536895 1196898999 /nfs/dbraw/zinc/89/89/99/1196898999.db2.gz GPQDFSYBROKXRZ-GOSISDBHSA-N 0 3 314.473 3.429 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001663613252 1196913737 /nfs/dbraw/zinc/91/37/37/1196913737.db2.gz LMOKSKZNXMSHDN-QGZVFWFLSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663619958 1196914688 /nfs/dbraw/zinc/91/46/88/1196914688.db2.gz IVULVUARHYKHMG-LPHOPBHVSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001663684275 1196927873 /nfs/dbraw/zinc/92/78/73/1196927873.db2.gz VAQDPGOEDOZVPX-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(CCNC(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC001663773466 1196943987 /nfs/dbraw/zinc/94/39/87/1196943987.db2.gz RILBZYAYJMCZJN-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2cc(F)ccc2C)CC1 ZINC001664164630 1196975711 /nfs/dbraw/zinc/97/57/11/1196975711.db2.gz ALJABIGQIJGLAP-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN CCCc1c(N[C@H]2CCCN(C)C2)cnn1-c1cccc(C#N)c1 ZINC001664359011 1196991719 /nfs/dbraw/zinc/99/17/19/1196991719.db2.gz JLKLJLHZRXBBGY-INIZCTEOSA-N 0 3 323.444 3.203 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cccc(C)c1)c1ccccc1 ZINC001664568397 1197015331 /nfs/dbraw/zinc/01/53/31/1197015331.db2.gz UBCSWVCBOROHEP-LJQANCHMSA-N 0 3 306.409 3.079 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(C(C)C)n1)c1ccccc1 ZINC001664583458 1197017308 /nfs/dbraw/zinc/01/73/08/1197017308.db2.gz NNOHXHZFVCNWHS-IBGZPJMESA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCCC1(C)C)c1ccccc1 ZINC001664587780 1197018071 /nfs/dbraw/zinc/01/80/71/1197018071.db2.gz GZFGYDISYXSSTR-SJORKVTESA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)Cc1occc1C)c1ccccc1 ZINC001664593469 1197018910 /nfs/dbraw/zinc/01/89/10/1197018910.db2.gz YLRIFFYTEOFSCS-QGZVFWFLSA-N 0 3 312.413 3.154 20 30 DGEDHN C=CC[C@@H](C(=O)NCC[C@H]1CCN(CCF)C1)c1ccccc1 ZINC001664760729 1197053960 /nfs/dbraw/zinc/05/39/60/1197053960.db2.gz XWKMWVXTNWQTGE-FUHWJXTLSA-N 0 3 318.436 3.144 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001665050276 1197091306 /nfs/dbraw/zinc/09/13/06/1197091306.db2.gz UQTFZNIVSPNEIA-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CCc3ccccc3)CC2)C1 ZINC001665092106 1197096473 /nfs/dbraw/zinc/09/64/73/1197096473.db2.gz WWLABJZDSDPIEW-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCCN1[O-] ZINC001665140939 1197102056 /nfs/dbraw/zinc/10/20/56/1197102056.db2.gz OKVZTSKVLSCQJK-FVQBIDKESA-N 0 3 322.836 3.336 20 30 DGEDHN Cn1c(CNCCc2ccc(C#N)cc2)nc2cc(Cl)ccc21 ZINC001665222305 1197111260 /nfs/dbraw/zinc/11/12/60/1197111260.db2.gz CFVLNZDMELMRMC-UHFFFAOYSA-N 0 3 324.815 3.431 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001665453037 1197139537 /nfs/dbraw/zinc/13/95/37/1197139537.db2.gz QPHXLFRCAHLILT-KRWDZBQOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1ccc(F)c(F)c1 ZINC001665799437 1197199300 /nfs/dbraw/zinc/19/93/00/1197199300.db2.gz SWDAGRJXAPOUJB-CQSZACIVSA-N 0 3 310.388 3.306 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001665866531 1197209114 /nfs/dbraw/zinc/20/91/14/1197209114.db2.gz FHLRDPJMNRTQSE-IEBWSBKVSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001666111493 1197236899 /nfs/dbraw/zinc/23/68/99/1197236899.db2.gz SWDIPKPCTFPSLE-HNNXBMFYSA-N 0 3 310.869 3.458 20 30 DGEDHN C=C1CCC(C(=O)NCc2ccc(CNCC#CC)cc2)CC1 ZINC001666340886 1197253689 /nfs/dbraw/zinc/25/36/89/1197253689.db2.gz CXQPVIYIFYDDBE-UHFFFAOYSA-N 0 3 310.441 3.162 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001666615488 1197273282 /nfs/dbraw/zinc/27/32/82/1197273282.db2.gz GHPWCORPNBLBFG-CEDDKSNKSA-N 0 3 307.265 3.250 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ncccc2C)CCCC1 ZINC001666763464 1197283073 /nfs/dbraw/zinc/28/30/73/1197283073.db2.gz HLDBKUSCJKYMHA-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC(F)(F)C2)CCCC1 ZINC001666763321 1197283307 /nfs/dbraw/zinc/28/33/07/1197283307.db2.gz BYIHHWYVYIUZPW-GFCCVEGCSA-N 0 3 320.811 3.193 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H](C)C1 ZINC001667197068 1197328873 /nfs/dbraw/zinc/32/88/73/1197328873.db2.gz GOPVVUVYWTXLMZ-LOKCTGBGSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2csc(C)n2)[C@@H](C)C1 ZINC001667198188 1197329013 /nfs/dbraw/zinc/32/90/13/1197329013.db2.gz NSXBEGIQIUWYPW-XJKSGUPXSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](C)CSC ZINC001667237675 1197332093 /nfs/dbraw/zinc/33/20/93/1197332093.db2.gz CBDIAGACGQXXMX-GXTWGEPZSA-N 0 3 318.914 3.099 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001667362277 1197341411 /nfs/dbraw/zinc/34/14/11/1197341411.db2.gz XPECGEBPYCSSLF-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001667362275 1197341620 /nfs/dbraw/zinc/34/16/20/1197341620.db2.gz XPECGEBPYCSSLF-DOTOQJQBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ncccc1C ZINC001667369818 1197342168 /nfs/dbraw/zinc/34/21/68/1197342168.db2.gz ZRXVOPTXWOTCOW-FUHWJXTLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccn1 ZINC001667374695 1197342186 /nfs/dbraw/zinc/34/21/86/1197342186.db2.gz KECLYHIPRWCEKX-FUHWJXTLSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1ccc(F)cc1F)C(C)C ZINC001667440370 1197348730 /nfs/dbraw/zinc/34/87/30/1197348730.db2.gz IYMHOYOSGWKOSI-MRXNPFEDSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1sc(C)cc1C)C(C)C ZINC001667463145 1197351034 /nfs/dbraw/zinc/35/10/34/1197351034.db2.gz CBWKUBHSZPLJSR-ZDUSSCGKSA-N 0 3 314.882 3.461 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001667580403 1197364792 /nfs/dbraw/zinc/36/47/92/1197364792.db2.gz HEZFEIJFFNEKLK-UHFFFAOYSA-N 0 3 318.465 3.037 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C(F)F)cc1F ZINC001667643307 1197374715 /nfs/dbraw/zinc/37/47/15/1197374715.db2.gz ODXSYDKKTQPWSH-UHFFFAOYSA-N 0 3 314.351 3.343 20 30 DGEDHN CC[C@@H](C)CC(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001668040172 1197397131 /nfs/dbraw/zinc/39/71/31/1197397131.db2.gz XXCHHALGOJUISF-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1 ZINC001668298240 1197408731 /nfs/dbraw/zinc/40/87/31/1197408731.db2.gz AMGPLGBGMFGDAD-CQSZACIVSA-N 0 3 324.852 3.324 20 30 DGEDHN CC[C@H](NCCN(CC)C(=O)[C@H](C)C#N)c1ccc(F)cc1F ZINC001668387998 1197413162 /nfs/dbraw/zinc/41/31/62/1197413162.db2.gz GUINOGCZRXNKRZ-WBMJQRKESA-N 0 3 323.387 3.014 20 30 DGEDHN C#CCNCCN(CC)C(=O)[C@H](CC1CCCCC1)C(C)C ZINC001668574988 1197420536 /nfs/dbraw/zinc/42/05/36/1197420536.db2.gz OTWPZWKKNAJXSD-GOSISDBHSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1coc2ccc(Cl)cc21 ZINC001668629231 1197422437 /nfs/dbraw/zinc/42/24/37/1197422437.db2.gz GCHPMMVGTSDHAS-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1ccc(F)cc1C ZINC001669020538 1197437814 /nfs/dbraw/zinc/43/78/14/1197437814.db2.gz DOBOJXRZOZBEGD-FQQSSWHASA-N 0 3 318.436 3.498 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001669446842 1197455099 /nfs/dbraw/zinc/45/50/99/1197455099.db2.gz ZOEVUAONJDKHJA-ZWKOTPCHSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC001670138352 1197521917 /nfs/dbraw/zinc/52/19/17/1197521917.db2.gz IJEKICOYPDZXIE-HWKANZROSA-N 0 3 324.827 3.420 20 30 DGEDHN C#CCN(C(=O)[C@H](C)c1cccc(C)c1)C1CCN(CC=C)CC1 ZINC001671497195 1197543075 /nfs/dbraw/zinc/54/30/75/1197543075.db2.gz NSYBDPVKXUFVOM-GOSISDBHSA-N 0 3 324.468 3.211 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001671917195 1197585431 /nfs/dbraw/zinc/58/54/31/1197585431.db2.gz XDQVGIMRAAFYEA-HNNXBMFYSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001671916374 1197585725 /nfs/dbraw/zinc/58/57/25/1197585725.db2.gz KNMLDKARBGBEER-LJQANCHMSA-N 0 3 304.478 3.217 20 30 DGEDHN C#CCN(C)CCCNC(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001672303422 1197604115 /nfs/dbraw/zinc/60/41/15/1197604115.db2.gz YRFQITWBSUBAAE-IAGOWNOFSA-N 0 3 321.509 3.093 20 30 DGEDHN CC(C)C#CC(=O)N(CCNC/C=C/Cl)Cc1ccccc1 ZINC001672388747 1197609262 /nfs/dbraw/zinc/60/92/62/1197609262.db2.gz OEVWEVXQDMITBU-IZZDOVSWSA-N 0 3 318.848 3.017 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001672903048 1197627343 /nfs/dbraw/zinc/62/73/43/1197627343.db2.gz VVHAEEHPRKRYDA-INIZCTEOSA-N 0 3 320.864 3.498 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(F)cc2C)C1 ZINC001672901451 1197627557 /nfs/dbraw/zinc/62/75/57/1197627557.db2.gz HMXVYGQLFJTOLL-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C#CCCCCCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001673013251 1197634670 /nfs/dbraw/zinc/63/46/70/1197634670.db2.gz NUYRVLXVRJAXGJ-QGZVFWFLSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C=C1CCC1 ZINC001673633815 1197681953 /nfs/dbraw/zinc/68/19/53/1197681953.db2.gz LCVXHZRBCWTAMY-LJQANCHMSA-N 0 3 310.441 3.216 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)C(C)(C)C1 ZINC001674022447 1197722769 /nfs/dbraw/zinc/72/27/69/1197722769.db2.gz CVMLAHXIIQMOGM-GFCCVEGCSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC ZINC001674266425 1197753672 /nfs/dbraw/zinc/75/36/72/1197753672.db2.gz GFOPDATYSIZENP-LJQANCHMSA-N 0 3 312.457 3.306 20 30 DGEDHN C=CCCC1(CNC(=O)N(CC)[C@H]2CCN(C)C2)CCCC1 ZINC001674372253 1197765713 /nfs/dbraw/zinc/76/57/13/1197765713.db2.gz MTLWVMYJDVDMPI-INIZCTEOSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(F)c1Cl ZINC001674486256 1197785129 /nfs/dbraw/zinc/78/51/29/1197785129.db2.gz GSIMCQUJOAGZPC-LBPRGKRZSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1[nH]ccc1-c1ccccc1 ZINC001674491099 1197786448 /nfs/dbraw/zinc/78/64/48/1197786448.db2.gz KMBDBECBWYWQJB-QGZVFWFLSA-N 0 3 323.440 3.404 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CC(CNCc2nc(C)cs2)C1 ZINC001674574053 1197797689 /nfs/dbraw/zinc/79/76/89/1197797689.db2.gz UNYWAEDMWXWDPG-WLYUNCDWSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CC(CNCc2nc(C)cs2)C1 ZINC001674574052 1197797865 /nfs/dbraw/zinc/79/78/65/1197797865.db2.gz UNYWAEDMWXWDPG-NFOMZHRRSA-N 0 3 321.490 3.038 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001674653496 1197821386 /nfs/dbraw/zinc/82/13/86/1197821386.db2.gz KXTSAJCZHSZYQK-CVEARBPZSA-N 0 3 318.436 3.311 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)/C=C\C(C)(C)C ZINC001674822470 1197884386 /nfs/dbraw/zinc/88/43/86/1197884386.db2.gz DOJACPZJUIGBKR-HJWRWDBZSA-N 0 3 300.874 3.415 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001674671958 1197830135 /nfs/dbraw/zinc/83/01/35/1197830135.db2.gz CSAXHZLTEWOPSR-OLZOCXBDSA-N 0 3 310.388 3.304 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674723179 1197848379 /nfs/dbraw/zinc/84/83/79/1197848379.db2.gz WJNNJMLGFAOPTE-CHWSQXEVSA-N 0 3 319.424 3.116 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@H](C)NC(=O)C(C)(C)C ZINC001674759494 1197861851 /nfs/dbraw/zinc/86/18/51/1197861851.db2.gz DJKNLYCAMUEQIO-KGLIPLIRSA-N 0 3 320.864 3.220 20 30 DGEDHN CCC(=O)N(C)CC[C@@H](NCc1cc(F)ccc1C#N)C(C)C ZINC001675115721 1197986742 /nfs/dbraw/zinc/98/67/42/1197986742.db2.gz WTVNIQQWOJLNAG-QGZVFWFLSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001675269572 1198029365 /nfs/dbraw/zinc/02/93/65/1198029365.db2.gz KQRCKOVZFJJGBV-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCCC1CCCC1 ZINC001675275959 1198033598 /nfs/dbraw/zinc/03/35/98/1198033598.db2.gz WIPOHJNAYOJRGI-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001675311806 1198040449 /nfs/dbraw/zinc/04/04/49/1198040449.db2.gz OQIHTVRHNGDBRC-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001675331764 1198046159 /nfs/dbraw/zinc/04/61/59/1198046159.db2.gz DIVRCBKEOLEVKC-GJZGRUSLSA-N 0 3 320.502 3.329 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001676255754 1198262713 /nfs/dbraw/zinc/26/27/13/1198262713.db2.gz GIGOZZLEHXZGQN-KRWDZBQOSA-N 0 3 315.461 3.011 20 30 DGEDHN C[C@H](CN(C)C(=O)/C=C\C(C)(C)C)NCC#Cc1ccccc1 ZINC001676318708 1198286462 /nfs/dbraw/zinc/28/64/62/1198286462.db2.gz RCVJFPYFKUEBOU-LKBMAGLMSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001676355902 1198300551 /nfs/dbraw/zinc/30/05/51/1198300551.db2.gz XTLVWNGYLIANMT-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001676413610 1198316825 /nfs/dbraw/zinc/31/68/25/1198316825.db2.gz QKMGSAQOTKTUID-QGZVFWFLSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001676428891 1198319477 /nfs/dbraw/zinc/31/94/77/1198319477.db2.gz KJDGUIWDFRZXMZ-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCCCC(C)C)CCC[C@H]12 ZINC001676816242 1198398805 /nfs/dbraw/zinc/39/88/05/1198398805.db2.gz RBIQTPWISYTOFC-HKUYNNGSSA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCC3CCCCC3)CCC[C@@H]12 ZINC001676821991 1198402630 /nfs/dbraw/zinc/40/26/30/1198402630.db2.gz WMIFNGCEAOOJCR-QUCCMNQESA-N 0 3 316.489 3.483 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001676867805 1198416241 /nfs/dbraw/zinc/41/62/41/1198416241.db2.gz UWOHWZIAIXDPEY-IEBWSBKVSA-N 0 3 312.457 3.349 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc2n(c1)CCCC2)C(C)C ZINC001677222252 1198492949 /nfs/dbraw/zinc/49/29/49/1198492949.db2.gz DOKLBXQVQUAFHH-UHFFFAOYSA-N 0 3 317.477 3.183 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)/C=C\C(C)(C)C)CC[C@@H]1C(F)(F)F ZINC001677372007 1198524727 /nfs/dbraw/zinc/52/47/27/1198524727.db2.gz OPYCYYBEYFRTBX-SVSNBYFCSA-N 0 3 318.383 3.144 20 30 DGEDHN CCC1(C(=O)N(C)C2CC(NCC#Cc3ccccc3)C2)CCC1 ZINC001677419139 1198531552 /nfs/dbraw/zinc/53/15/52/1198531552.db2.gz FYSREQGGTHNXJV-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2Cc3ccccc32)c(F)c1 ZINC001677645066 1198567350 /nfs/dbraw/zinc/56/73/50/1198567350.db2.gz RTOGTWRDEDTDCS-SFHVURJKSA-N 0 3 324.399 3.057 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001677924591 1198606132 /nfs/dbraw/zinc/60/61/32/1198606132.db2.gz MUUVUBSBTKCDPV-QGZVFWFLSA-N 0 3 317.477 3.499 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@](C)(CO)C2)ccc1OC ZINC000093341331 1198679749 /nfs/dbraw/zinc/67/97/49/1198679749.db2.gz NEABWGREPQNEHF-LJQANCHMSA-N 0 3 319.445 3.245 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001681458307 1199009519 /nfs/dbraw/zinc/00/95/19/1199009519.db2.gz XXOKQXCUQDTYHI-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001681791742 1199082476 /nfs/dbraw/zinc/08/24/76/1199082476.db2.gz XAOJOCUFFBMUAU-IAGOWNOFSA-N 0 3 307.482 3.391 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001682423388 1199159307 /nfs/dbraw/zinc/15/93/07/1199159307.db2.gz OISJFSFWHGPTDD-DOTOQJQBSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCCC1(CNC(=O)NC[C@@H]2CCCCN2C)CCCC1 ZINC001687039754 1199614350 /nfs/dbraw/zinc/61/43/50/1199614350.db2.gz SMYHGFIEBPQIPX-INIZCTEOSA-N 0 3 307.482 3.297 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001688881782 1199940313 /nfs/dbraw/zinc/94/03/13/1199940313.db2.gz ZZJRIUWBEMVDAW-HNNXBMFYSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001688895232 1199947580 /nfs/dbraw/zinc/94/75/80/1199947580.db2.gz CQNMUJSNDAMXSS-CYBMUJFWSA-N 0 3 308.372 3.077 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@@H](C)F)CCCCC1 ZINC001688897812 1199950252 /nfs/dbraw/zinc/95/02/52/1199950252.db2.gz FCRIBQBMLYSDKA-SJORKVTESA-N 0 3 322.468 3.241 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001688953023 1199971249 /nfs/dbraw/zinc/97/12/49/1199971249.db2.gz ZZUZDYRRENLLOP-UBJZUDALSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(F)c(C)c1)C(C)C ZINC001753839269 1199989043 /nfs/dbraw/zinc/98/90/43/1199989043.db2.gz VXDYBLFPXGOKTG-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001689015262 1199992615 /nfs/dbraw/zinc/99/26/15/1199992615.db2.gz COVBHZAXNZFBFC-NWDGAFQWSA-N 0 3 322.827 3.295 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC001754085052 1200100178 /nfs/dbraw/zinc/10/01/78/1200100178.db2.gz SNNCKKCQEMCIRQ-INIZCTEOSA-N 0 3 300.446 3.275 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(C(C)C)n1 ZINC001689350517 1200105481 /nfs/dbraw/zinc/10/54/81/1200105481.db2.gz IMIUXPFMTIVAJY-INIZCTEOSA-N 0 3 315.461 3.318 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001754231746 1200143257 /nfs/dbraw/zinc/14/32/57/1200143257.db2.gz DHSLVWATMDBGSC-CHWSQXEVSA-N 0 3 321.490 3.286 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001754246653 1200152357 /nfs/dbraw/zinc/15/23/57/1200152357.db2.gz LKUHHOBXKFXYPC-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001754279655 1200169631 /nfs/dbraw/zinc/16/96/31/1200169631.db2.gz OXRXCRMEIRRYEA-HNNXBMFYSA-N 0 3 312.413 3.221 20 30 DGEDHN CC(C)[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001754286146 1200173587 /nfs/dbraw/zinc/17/35/87/1200173587.db2.gz YZHUQKBCRICGTQ-LSDHHAIUSA-N 0 3 320.864 3.078 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001754385364 1200249007 /nfs/dbraw/zinc/24/90/07/1200249007.db2.gz YUTJEMVJUHFPJN-KRWDZBQOSA-N 0 3 320.864 3.371 20 30 DGEDHN CC(C)(C)/C=C\C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754435838 1200262198 /nfs/dbraw/zinc/26/21/98/1200262198.db2.gz MRYHBAWZFNLLNQ-QQBSYFJQSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001754489499 1200298928 /nfs/dbraw/zinc/29/89/28/1200298928.db2.gz YTCQUGJLJMRWHZ-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001754489342 1200300686 /nfs/dbraw/zinc/30/06/86/1200300686.db2.gz WCMXLUIGACMZSO-SCTDSRPQSA-N 0 3 322.493 3.107 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001754495317 1200310232 /nfs/dbraw/zinc/31/02/32/1200310232.db2.gz JBLYNFGDUDACCI-DOTOQJQBSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001754502652 1200317210 /nfs/dbraw/zinc/31/72/10/1200317210.db2.gz MWUPBMTWTKSEJV-QGZVFWFLSA-N 0 3 300.446 3.382 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001754503173 1200320546 /nfs/dbraw/zinc/32/05/46/1200320546.db2.gz VIJMPHHOWNEMKL-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001754504482 1200320864 /nfs/dbraw/zinc/32/08/64/1200320864.db2.gz HFTZBGBHUGAKQX-CJNGLKHVSA-N 0 3 318.848 3.136 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(NCc2ccc(C3CC3)cc2)CC1 ZINC001754514291 1200330289 /nfs/dbraw/zinc/33/02/89/1200330289.db2.gz YETLHWLYPHYJAA-UHFFFAOYSA-N 0 3 324.468 3.352 20 30 DGEDHN C#Cc1ccc(C(=O)NCC2(NCc3csc(C)c3)CC2)cc1 ZINC001754521952 1200334167 /nfs/dbraw/zinc/33/41/67/1200334167.db2.gz XLERCHHDJWVZPQ-UHFFFAOYSA-N 0 3 324.449 3.090 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@H](C)c1ccccc1)C1CC1 ZINC001690013990 1200366151 /nfs/dbraw/zinc/36/61/51/1200366151.db2.gz LGXOONAPMGSMKE-KRWDZBQOSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CCCCC)C(C)C)C2)C1 ZINC001754567498 1200368142 /nfs/dbraw/zinc/36/81/42/1200368142.db2.gz NWTHIPOFKYNDAY-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCCCC(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001754582408 1200377429 /nfs/dbraw/zinc/37/74/29/1200377429.db2.gz QVPFOXGVANMFHB-UHFFFAOYSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001690050487 1200384743 /nfs/dbraw/zinc/38/47/43/1200384743.db2.gz LBOGPOQUMOEKSU-OALUTQOASA-N 0 3 312.457 3.174 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CCCN(CCOCC)C2)CCCCC1 ZINC001690048419 1200385927 /nfs/dbraw/zinc/38/59/27/1200385927.db2.gz RIPJKODLNMSYGQ-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001690111250 1200404688 /nfs/dbraw/zinc/40/46/88/1200404688.db2.gz VIWZPQBHLXZPJI-CQSZACIVSA-N 0 3 306.475 3.389 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cccc(Cl)c2)CC1 ZINC001754628664 1200405207 /nfs/dbraw/zinc/40/52/07/1200405207.db2.gz BJMWHWBMKTVHKZ-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC23CCN(C/C=C/Cl)CC3)CCC1 ZINC001690125894 1200409332 /nfs/dbraw/zinc/40/93/32/1200409332.db2.gz JIRDTWHJUZNQNA-GSDOMDMQSA-N 0 3 322.880 3.456 20 30 DGEDHN C#CCNC[C@@H](NC(=O)CC1(C)CC1)c1ccc2ccccc2c1 ZINC001754643575 1200411068 /nfs/dbraw/zinc/41/10/68/1200411068.db2.gz BZJJATZETSEMAU-LJQANCHMSA-N 0 3 320.436 3.410 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1CCC1)c1ccc2ccccc2c1 ZINC001754643825 1200411324 /nfs/dbraw/zinc/41/13/24/1200411324.db2.gz IQSJHNHWTSWVJW-IBGZPJMESA-N 0 3 306.409 3.020 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001754647245 1200414742 /nfs/dbraw/zinc/41/47/42/1200414742.db2.gz XWFSGXSNOHALFS-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCCC(C)C)C2 ZINC001754661871 1200423813 /nfs/dbraw/zinc/42/38/13/1200423813.db2.gz NGKJGTLLOFHAKI-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001690171592 1200432563 /nfs/dbraw/zinc/43/25/63/1200432563.db2.gz MFZJDDYBTWLKEH-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001754680391 1200438899 /nfs/dbraw/zinc/43/88/99/1200438899.db2.gz LUGWZBZMIRPGPP-HOJAQTOUSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc21 ZINC001690209595 1200455070 /nfs/dbraw/zinc/45/50/70/1200455070.db2.gz DESXOGIDKBYEJI-WOGUSJMUSA-N 0 3 324.468 3.356 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001690208603 1200455659 /nfs/dbraw/zinc/45/56/59/1200455659.db2.gz QHBRQSFVYKNJPD-QXCZDIPSSA-N 0 3 316.489 3.454 20 30 DGEDHN CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1)C2 ZINC001754780621 1200486425 /nfs/dbraw/zinc/48/64/25/1200486425.db2.gz VCZFPIQMPLFCHY-ZCNNSNEGSA-N 0 3 324.468 3.197 20 30 DGEDHN O=C(CC1=CCCCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001690329061 1200499734 /nfs/dbraw/zinc/49/97/34/1200499734.db2.gz LWCQCLDOLNGWFZ-BGYRXZFFSA-N 0 3 322.452 3.165 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001690352030 1200506321 /nfs/dbraw/zinc/50/63/21/1200506321.db2.gz NQAJJGGIUMAQJM-OKILXGFUSA-N 0 3 306.837 3.289 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001690353211 1200507853 /nfs/dbraw/zinc/50/78/53/1200507853.db2.gz CVRVHTZCVMKTNO-WQVCFCJDSA-N 0 3 322.399 3.304 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCC(C)(C)C ZINC001754866546 1200524200 /nfs/dbraw/zinc/52/42/00/1200524200.db2.gz ZZXFPSFSKOBMOB-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001690392059 1200536043 /nfs/dbraw/zinc/53/60/43/1200536043.db2.gz OOBHNJAUPBDWSR-QZTJIDSGSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001754921556 1200538219 /nfs/dbraw/zinc/53/82/19/1200538219.db2.gz SJDWRHXEPYAQLG-HOCLYGCPSA-N 0 3 318.864 3.486 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCc1ccco1 ZINC001754943666 1200546099 /nfs/dbraw/zinc/54/60/99/1200546099.db2.gz KVGUYPMFFFEYGB-UHFFFAOYSA-N 0 3 312.413 3.146 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1nccs1 ZINC001754946699 1200548502 /nfs/dbraw/zinc/54/85/02/1200548502.db2.gz SOIFPYTWVLZVJX-UHFFFAOYSA-N 0 3 315.442 3.081 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)c1ccco1 ZINC001754946394 1200548640 /nfs/dbraw/zinc/54/86/40/1200548640.db2.gz GXQRLUFIGCYCNU-INIZCTEOSA-N 0 3 324.424 3.155 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1F ZINC001690447095 1200562228 /nfs/dbraw/zinc/56/22/28/1200562228.db2.gz YEGNHAGWZOSXEQ-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001690448937 1200564390 /nfs/dbraw/zinc/56/43/90/1200564390.db2.gz UYNVPCLGSPLKOG-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC1(c2ccccc2)CC1 ZINC001690449190 1200565787 /nfs/dbraw/zinc/56/57/87/1200565787.db2.gz ZLLSRVRRVCEDRZ-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001690452953 1200567491 /nfs/dbraw/zinc/56/74/91/1200567491.db2.gz OXZKQIDWARIWLO-AWEZNQCLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cncc(C)c2)CCC1 ZINC001754986465 1200572953 /nfs/dbraw/zinc/57/29/53/1200572953.db2.gz GVKFFLXWAQWQQN-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ocnc2C)C1 ZINC001690500703 1200594465 /nfs/dbraw/zinc/59/44/65/1200594465.db2.gz BHTFRSKXIPYPPK-ZBFHGGJFSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCCCC(=O)N(C)CCCN(C)Cc1ccsc1 ZINC001755041455 1200608721 /nfs/dbraw/zinc/60/87/21/1200608721.db2.gz AZMJIXRHZFKNMP-UHFFFAOYSA-N 0 3 306.475 3.222 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC(C)(C)c1ccccc1 ZINC001755047914 1200617208 /nfs/dbraw/zinc/61/72/08/1200617208.db2.gz UJZZMEHAFPXMPM-UHFFFAOYSA-N 0 3 314.473 3.158 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)NCc1ccc(C(C)C)nc1C ZINC001690560866 1200625007 /nfs/dbraw/zinc/62/50/07/1200625007.db2.gz WUEATCLPYUEFHT-CQSZACIVSA-N 0 3 303.450 3.074 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2ccccc2Cl)[C@@H](C)C1 ZINC001755108781 1200640036 /nfs/dbraw/zinc/64/00/36/1200640036.db2.gz LLSLITUHJKWODY-YOEHRIQHSA-N 0 3 318.848 3.080 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2ccccc2)C[C@@H]1C ZINC001755163010 1200668189 /nfs/dbraw/zinc/66/81/89/1200668189.db2.gz CBBBURCCKAKTEV-HKUYNNGSSA-N 0 3 312.457 3.002 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1CCCCC1 ZINC001755222568 1200711917 /nfs/dbraw/zinc/71/19/17/1200711917.db2.gz FIUKSTINFNRBLC-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001690824527 1200736554 /nfs/dbraw/zinc/73/65/54/1200736554.db2.gz GNHUOXLWLQCRDT-HKUYNNGSSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H](N(C)CC#CC)C2)CCCC1 ZINC001690826510 1200739079 /nfs/dbraw/zinc/73/90/79/1200739079.db2.gz IDRCQDZHMFOBTK-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCC(=O)NCC[C@@H](C)NCc1cc(F)ccc1Cl ZINC001690836032 1200742481 /nfs/dbraw/zinc/74/24/81/1200742481.db2.gz SCFMZZFIKZOHJX-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001690875026 1200759339 /nfs/dbraw/zinc/75/93/39/1200759339.db2.gz ZEXKHYUQFLPPIR-RBSFLKMASA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccc(C)n1C ZINC001690885341 1200765013 /nfs/dbraw/zinc/76/50/13/1200765013.db2.gz IEIPRWXRIYNKIH-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(CF)cc1 ZINC001755311820 1200793939 /nfs/dbraw/zinc/79/39/39/1200793939.db2.gz WKHUURSMOYXZLU-CQSZACIVSA-N 0 3 306.425 3.305 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001755318762 1200805335 /nfs/dbraw/zinc/80/53/35/1200805335.db2.gz NGOHNYOOQFVEMX-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC001691793133 1200810190 /nfs/dbraw/zinc/81/01/90/1200810190.db2.gz UHRHHCWMFZMZJT-FCGDIQPGSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC001691796550 1200812372 /nfs/dbraw/zinc/81/23/72/1200812372.db2.gz JSBAVGKVKMNPFS-IBGZPJMESA-N 0 3 319.408 3.415 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccc(C)cc1 ZINC001691809764 1200816837 /nfs/dbraw/zinc/81/68/37/1200816837.db2.gz XBZZFSDUNNSXEQ-KDURUIRLSA-N 0 3 312.457 3.179 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001755391830 1200873309 /nfs/dbraw/zinc/87/33/09/1200873309.db2.gz LJDLXLGWJRYDBQ-INIZCTEOSA-N 0 3 314.473 3.285 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](CC=C)c2ccccc2)C(C)(C)C1 ZINC001755415675 1200890200 /nfs/dbraw/zinc/89/02/00/1200890200.db2.gz KSNXCLZBMIFJMP-OALUTQOASA-N 0 3 324.468 3.196 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)CCC=C(C)C)[C@@H]2C1 ZINC001755431723 1200895412 /nfs/dbraw/zinc/89/54/12/1200895412.db2.gz LSFVPSCNWYBKHW-CADBVGFASA-N 0 3 316.489 3.076 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1occ2c1CCC2 ZINC001755509642 1200926080 /nfs/dbraw/zinc/92/60/80/1200926080.db2.gz QSQKTKAIVPCDBL-LBPRGKRZSA-N 0 3 310.825 3.009 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@@H](C)C(F)(F)F ZINC001755512854 1200927350 /nfs/dbraw/zinc/92/73/50/1200927350.db2.gz XAFCIYKBUCARNO-KOLCDFICSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1ccsc1C ZINC001755517110 1200929306 /nfs/dbraw/zinc/92/93/06/1200929306.db2.gz UEZJDIVZYSOQMZ-GFCCVEGCSA-N 0 3 314.882 3.226 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(CC)cc2)[C@H]1C ZINC001692229236 1200976940 /nfs/dbraw/zinc/97/69/40/1200976940.db2.gz QJMKEQOZOPNKNG-APWZRJJASA-N 0 3 314.473 3.337 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001755611446 1200989948 /nfs/dbraw/zinc/98/99/48/1200989948.db2.gz PODIAELYBDXIQY-IEBWSBKVSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)OC1CCCC1 ZINC001692260973 1200994283 /nfs/dbraw/zinc/99/42/83/1200994283.db2.gz ZBGGEUORCUPLJT-FUHWJXTLSA-N 0 3 322.493 3.223 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCC2CCCC2)CC(C)(C)C1 ZINC001692272495 1200997996 /nfs/dbraw/zinc/99/79/96/1200997996.db2.gz JJDPLTOMILALJK-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2scnc2C)[C@H]1C ZINC001755654926 1200998305 /nfs/dbraw/zinc/99/83/05/1200998305.db2.gz RAWYQYYJEDKJBE-KGLIPLIRSA-N 0 3 321.490 3.133 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001692331870 1201021852 /nfs/dbraw/zinc/02/18/52/1201021852.db2.gz XSNPKDBBCOXENM-FQEVSTJZSA-N 0 3 314.473 3.454 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)C(CC(C)C)CC(C)C)CCC[C@H]12 ZINC001755703992 1201026404 /nfs/dbraw/zinc/02/64/04/1201026404.db2.gz GIKFCYPFFHPYOJ-ICSRJNTNSA-N 0 3 318.505 3.441 20 30 DGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001755701869 1201027793 /nfs/dbraw/zinc/02/77/93/1201027793.db2.gz NGDLHXIFLJVUGD-HKUYNNGSSA-N 0 3 313.445 3.051 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCC2CCOCC2)[C@@H]1C ZINC001755718820 1201039139 /nfs/dbraw/zinc/03/91/39/1201039139.db2.gz PSVOVUROEKRCCX-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C(C)C ZINC001692366709 1201041605 /nfs/dbraw/zinc/04/16/05/1201041605.db2.gz ITAINPYRXFSUTK-KKUMJFAQSA-N 0 3 317.433 3.051 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)c1ccccc1 ZINC001692384653 1201047208 /nfs/dbraw/zinc/04/72/08/1201047208.db2.gz VDNOCCMRRDLURJ-IHPCNDPISA-N 0 3 324.468 3.432 20 30 DGEDHN CCc1cccc(CN2CCC[C@H](NC(=O)C#CC3CC3)[C@H]2C)c1 ZINC001755731738 1201051913 /nfs/dbraw/zinc/05/19/13/1201051913.db2.gz POWLJVGWUMPPAH-UZLBHIALSA-N 0 3 324.468 3.132 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001692399600 1201054753 /nfs/dbraw/zinc/05/47/53/1201054753.db2.gz KWDCJJLCYAHBHE-INIZCTEOSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2csc(C)n2)C1 ZINC001755742197 1201057296 /nfs/dbraw/zinc/05/72/96/1201057296.db2.gz BIPTVIZLXZAERL-UONOGXRCSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000131336042 1201149124 /nfs/dbraw/zinc/14/91/24/1201149124.db2.gz KAMJZBBZQSYZEA-LJQANCHMSA-N 0 3 310.397 3.300 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001698549041 1201217797 /nfs/dbraw/zinc/21/77/97/1201217797.db2.gz NQWYGEBEBMALJH-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001698570404 1201241566 /nfs/dbraw/zinc/24/15/66/1201241566.db2.gz UDCUPLADRIVYOU-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001698588051 1201263600 /nfs/dbraw/zinc/26/36/00/1201263600.db2.gz MPBBLIOHUJJXLE-ZIAGYGMSSA-N 0 3 320.399 3.464 20 30 DGEDHN CC[C@H](CNC(=O)[C@@]12C[C@@H]1CCCC2)NCC#Cc1ccccc1 ZINC001698613087 1201283503 /nfs/dbraw/zinc/28/35/03/1201283503.db2.gz BOFUKNIFVXGDAO-ZVDOUQERSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001698701487 1201339564 /nfs/dbraw/zinc/33/95/64/1201339564.db2.gz YBAWSLQGDBBIHC-HNNXBMFYSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(CC)cc2)cc1 ZINC001698719799 1201360882 /nfs/dbraw/zinc/36/08/82/1201360882.db2.gz ZDWDRAULGGQOLM-UHFFFAOYSA-N 0 3 320.436 3.292 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001698765792 1201399636 /nfs/dbraw/zinc/39/96/36/1201399636.db2.gz IVHBWIYCACXQRP-HNNXBMFYSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2Cc3ccccc32)CCCC1 ZINC001698801614 1201432063 /nfs/dbraw/zinc/43/20/63/1201432063.db2.gz WFEOASQRSQHAJE-INIZCTEOSA-N 0 3 318.848 3.097 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CCNCc1cc(C)no1 ZINC001698915665 1201572146 /nfs/dbraw/zinc/57/21/46/1201572146.db2.gz CFMIBYNGHWHEKY-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](C)c1ccco1 ZINC001698918889 1201574560 /nfs/dbraw/zinc/57/45/60/1201574560.db2.gz SVOTYXITFIJYEQ-CABCVRRESA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C(C)C)nc1)C(C)C ZINC001698963429 1201618433 /nfs/dbraw/zinc/61/84/33/1201618433.db2.gz UNHICXCQCWWBLO-MRXNPFEDSA-N 0 3 323.868 3.302 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2[nH]ccc2c1)C(C)C ZINC001698974645 1201630410 /nfs/dbraw/zinc/63/04/10/1201630410.db2.gz CHBJBNMJQPFCMR-MRXNPFEDSA-N 0 3 319.836 3.264 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001698993687 1201660379 /nfs/dbraw/zinc/66/03/79/1201660379.db2.gz NRIRGWRHQYKUJO-MRXNPFEDSA-N 0 3 318.436 3.471 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCNCc1nsc2ccccc12 ZINC001699086680 1201709723 /nfs/dbraw/zinc/70/97/23/1201709723.db2.gz BPIGSUHLEQJAHT-ZDUSSCGKSA-N 0 3 317.458 3.247 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)s1 ZINC001750931096 1201727926 /nfs/dbraw/zinc/72/79/26/1201727926.db2.gz VRAFEAZPXYPLNG-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN CCN(CCNCc1csc(C)c1)C(=O)C#CC(C)(C)C ZINC001699181975 1201746222 /nfs/dbraw/zinc/74/62/22/1201746222.db2.gz YPZQQWGKWNMVEQ-UHFFFAOYSA-N 0 3 306.475 3.044 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001699274413 1201775312 /nfs/dbraw/zinc/77/53/12/1201775312.db2.gz HZMXEYJWEQUZDR-CMDGGOBGSA-N 0 3 312.457 3.273 20 30 DGEDHN CC[C@H](C)C(=O)NCCCN(CC)CC#Cc1ccc(F)cc1 ZINC001752170007 1201790464 /nfs/dbraw/zinc/79/04/64/1201790464.db2.gz XGMKNXCUCDGVPB-INIZCTEOSA-N 0 3 318.436 3.052 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccccc1C(C)C)C1CC1 ZINC001752260522 1201814801 /nfs/dbraw/zinc/81/48/01/1201814801.db2.gz CJQKLOHBUJYEGO-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001752435129 1201837017 /nfs/dbraw/zinc/83/70/17/1201837017.db2.gz NFWSMOGYTPTASQ-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1cc(C)ccc1F)C1CC1 ZINC001752450930 1201842312 /nfs/dbraw/zinc/84/23/12/1201842312.db2.gz OYWOPQUCFUZMQG-QGZVFWFLSA-N 0 3 304.409 3.085 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)Cc2ncccc2C)C1 ZINC001752504547 1201860168 /nfs/dbraw/zinc/86/01/68/1201860168.db2.gz PBXGHTZTCBCHKU-KRWDZBQOSA-N 0 3 315.461 3.027 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC001699451749 1201889158 /nfs/dbraw/zinc/88/91/58/1201889158.db2.gz YYCYMCGILWJBTQ-GJZGRUSLSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001699453760 1201891412 /nfs/dbraw/zinc/89/14/12/1201891412.db2.gz HWRBCXFLAITMOB-CYBMUJFWSA-N 0 3 308.853 3.489 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001752731796 1201901201 /nfs/dbraw/zinc/90/12/01/1201901201.db2.gz USWCSCGKPPJNGE-OKILXGFUSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1Cl ZINC001699466476 1201906987 /nfs/dbraw/zinc/90/69/87/1201906987.db2.gz ATAQXSDXXHEHHJ-CYBMUJFWSA-N 0 3 308.853 3.240 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cnc(C)o1 ZINC001699481003 1201923573 /nfs/dbraw/zinc/92/35/73/1201923573.db2.gz 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C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCC ZINC001699683061 1202031051 /nfs/dbraw/zinc/03/10/51/1202031051.db2.gz WGXZGGNHBOLJNW-KSZLIROESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC001752993426 1202042631 /nfs/dbraw/zinc/04/26/31/1202042631.db2.gz GMSVSIGEFOWKFT-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001753000679 1202050204 /nfs/dbraw/zinc/05/02/04/1202050204.db2.gz UGYMAKCHDBPEQY-LJQANCHMSA-N 0 3 310.441 3.124 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1scnc1C(C)C ZINC001753015369 1202060642 /nfs/dbraw/zinc/06/06/42/1202060642.db2.gz HWTYQBOEHTTZHO-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN O=C(CC1CC1)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001753022506 1202065704 /nfs/dbraw/zinc/06/57/04/1202065704.db2.gz LBZMLPZJUUAVCC-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(Cc2cc(C)sc2C)CC1 ZINC001699776236 1202076513 /nfs/dbraw/zinc/07/65/13/1202076513.db2.gz YKMRZNSJZXETAH-UHFFFAOYSA-N 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SBYMMKIFUSURCO-UHFFFAOYSA-N 0 3 300.377 3.217 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc3ncccc32)C1 ZINC001699873963 1202131259 /nfs/dbraw/zinc/13/12/59/1202131259.db2.gz KNZKZODPHIJBMW-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CN(C(C)C)CCC2(F)F)CCC1 ZINC001699886569 1202136289 /nfs/dbraw/zinc/13/62/89/1202136289.db2.gz HBUXSEZOMDXYOV-AWEZNQCLSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001753117460 1202146281 /nfs/dbraw/zinc/14/62/81/1202146281.db2.gz AYNNBWZWXGVZQH-HKUYNNGSSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001753118441 1202147885 /nfs/dbraw/zinc/14/78/85/1202147885.db2.gz IFBBYODRXGOVTP-MSOLQXFVSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001753118423 1202148364 /nfs/dbraw/zinc/14/83/64/1202148364.db2.gz HYADDLOSLCAWLU-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001753118424 1202148563 /nfs/dbraw/zinc/14/85/63/1202148563.db2.gz HYADDLOSLCAWLU-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1c(C)oc2ccccc21 ZINC001753120083 1202149626 /nfs/dbraw/zinc/14/96/26/1202149626.db2.gz SWAYZWFIZYMVBQ-HNNXBMFYSA-N 0 3 312.413 3.050 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C/C=C(\C)C=C)C2)CC1 ZINC001699976955 1202154469 /nfs/dbraw/zinc/15/44/69/1202154469.db2.gz ZAHMDUVVOMWCMI-QGCWPSNUSA-N 0 3 314.473 3.093 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cccc(F)c1 ZINC001700005385 1202161046 /nfs/dbraw/zinc/16/10/46/1202161046.db2.gz CKGOPPGDWUEFQJ-MSOLQXFVSA-N 0 3 316.420 3.357 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC001700008115 1202162757 /nfs/dbraw/zinc/16/27/57/1202162757.db2.gz QLUQEQVHDPYWCN-ROUUACIJSA-N 0 3 316.420 3.357 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H]2CC=CCC2)cc1 ZINC001700094869 1202179376 /nfs/dbraw/zinc/17/93/76/1202179376.db2.gz OLIYLISUOVKXCN-IAGOWNOFSA-N 0 3 310.441 3.333 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001753186021 1202181640 /nfs/dbraw/zinc/18/16/40/1202181640.db2.gz IDDZVPXAVQMSTI-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@@]3(C)C=CCC3)cccc2C1 ZINC001700122535 1202183951 /nfs/dbraw/zinc/18/39/51/1202183951.db2.gz CZVUOTIXFJZPIP-NRFANRHFSA-N 0 3 322.452 3.041 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cncc(C)c2)CCC1 ZINC001700137001 1202189550 /nfs/dbraw/zinc/18/95/50/1202189550.db2.gz ZFTTUGVBCLUKJG-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001700176428 1202196696 /nfs/dbraw/zinc/19/66/96/1202196696.db2.gz JKXUFILUBLPFSK-LJEUOOAZSA-N 0 3 310.869 3.293 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)CCc1ccco1)c1ccccc1 ZINC001753296400 1202199207 /nfs/dbraw/zinc/19/92/07/1202199207.db2.gz PYCOFMPAPQJACR-SFHVURJKSA-N 0 3 312.413 3.235 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccc(Cl)[nH]1)c1ccccc1 ZINC001753302135 1202201071 /nfs/dbraw/zinc/20/10/71/1202201071.db2.gz VIEPDNFDQNMDIK-OAHLLOKOSA-N 0 3 317.820 3.305 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)ccc1C ZINC001753305228 1202201853 /nfs/dbraw/zinc/20/18/53/1202201853.db2.gz NZAVCKNVYBUQLU-BGYRXZFFSA-N 0 3 324.468 3.282 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001753306544 1202202406 /nfs/dbraw/zinc/20/24/06/1202202406.db2.gz AQLFMMDQEKGPIL-OIISXLGYSA-N 0 3 308.441 3.178 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc2ccsc21 ZINC001700194283 1202206963 /nfs/dbraw/zinc/20/69/63/1202206963.db2.gz NXPUXDHIDGJRJS-UHFFFAOYSA-N 0 3 314.454 3.319 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001753319680 1202207602 /nfs/dbraw/zinc/20/76/02/1202207602.db2.gz KHSARLJKCNUMSV-DLBZAZTESA-N 0 3 318.461 3.347 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2nc(CC)oc2C)C1 ZINC001753320128 1202208654 /nfs/dbraw/zinc/20/86/54/1202208654.db2.gz UGYNAJKTROSDRC-HNNXBMFYSA-N 0 3 319.449 3.048 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cccc(OC)c2)C1 ZINC001753322826 1202209990 /nfs/dbraw/zinc/20/99/90/1202209990.db2.gz KCPTYISXECDTMD-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC(C)(F)F ZINC001700227624 1202215328 /nfs/dbraw/zinc/21/53/28/1202215328.db2.gz PRDRLNLKYGXOOF-MRXNPFEDSA-N 0 3 322.399 3.151 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001700226159 1202215844 /nfs/dbraw/zinc/21/58/44/1202215844.db2.gz IIJGEMMRCPPRFE-MDGVGCGJSA-N 0 3 310.869 3.410 20 30 DGEDHN CCC1(C(=O)NCC[C@@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC001753336503 1202217458 /nfs/dbraw/zinc/21/74/58/1202217458.db2.gz UXDRWTACKNMWGV-LJQANCHMSA-N 0 3 324.468 3.057 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2cncc(C)c2)C1 ZINC001753356402 1202225608 /nfs/dbraw/zinc/22/56/08/1202225608.db2.gz ZREQDHVMTSNACJ-KRWDZBQOSA-N 0 3 315.461 3.027 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(C(F)F)CCCC2)C(C)(C)C1 ZINC001700291252 1202228223 /nfs/dbraw/zinc/22/82/23/1202228223.db2.gz VVSHXUNEWGXFOI-ZDUSSCGKSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CC(F)F)C(C)(C)C1 ZINC001700292194 1202228260 /nfs/dbraw/zinc/22/82/60/1202228260.db2.gz OHIZEOUWSUPSCZ-STQMWFEESA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCCC1 ZINC001753422117 1202248576 /nfs/dbraw/zinc/24/85/76/1202248576.db2.gz JVEDVAZKELVMFC-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)Cc1ccccc1 ZINC001700364406 1202250559 /nfs/dbraw/zinc/25/05/59/1202250559.db2.gz QDGVIELZBZHMGJ-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CN(C)CCOCC)CCCC1 ZINC001700363884 1202250746 /nfs/dbraw/zinc/25/07/46/1202250746.db2.gz LADIEPHOIOVAJP-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001753442413 1202255570 /nfs/dbraw/zinc/25/55/70/1202255570.db2.gz BZKHPWHEVJHARV-QGZVFWFLSA-N 0 3 300.446 3.240 20 30 DGEDHN CCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001700386262 1202257842 /nfs/dbraw/zinc/25/78/42/1202257842.db2.gz IJVGBZMXLWXHBP-GJZGRUSLSA-N 0 3 320.864 3.365 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(CC)C(=O)c2cncs2)C1 ZINC001753452568 1202260911 /nfs/dbraw/zinc/26/09/11/1202260911.db2.gz ARXAGPHLSGMZLL-HNNXBMFYSA-N 0 3 321.490 3.426 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001700401345 1202262873 /nfs/dbraw/zinc/26/28/73/1202262873.db2.gz OEMPDTDNGQZVPD-GJZGRUSLSA-N 0 3 306.425 3.473 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001700401349 1202263049 /nfs/dbraw/zinc/26/30/49/1202263049.db2.gz OEMPDTDNGQZVPD-LSDHHAIUSA-N 0 3 306.425 3.473 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001700403497 1202263589 /nfs/dbraw/zinc/26/35/89/1202263589.db2.gz YNIGTXXAUYLYPE-OLZOCXBDSA-N 0 3 309.841 3.074 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001700414017 1202266732 /nfs/dbraw/zinc/26/67/32/1202266732.db2.gz OVBNJWSTOVQGKU-JKSUJKDBSA-N 0 3 316.420 3.016 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2ccnc(Cl)c2)C1 ZINC001700420067 1202268203 /nfs/dbraw/zinc/26/82/03/1202268203.db2.gz OCRHDYGURYHUEP-OLZOCXBDSA-N 0 3 321.852 3.074 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1CCC=CCC1 ZINC001700431658 1202271199 /nfs/dbraw/zinc/27/11/99/1202271199.db2.gz SMHZTQVWCPCBTA-MSOLQXFVSA-N 0 3 324.468 3.267 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1cnc(C)s1 ZINC001753481722 1202271284 /nfs/dbraw/zinc/27/12/84/1202271284.db2.gz XHZDHADZPYIELS-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001753491764 1202273937 /nfs/dbraw/zinc/27/39/37/1202273937.db2.gz ZHCRUPMGXADXJQ-MOPGFXCFSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1c(C)coc1C)C1CC1 ZINC001753515765 1202281038 /nfs/dbraw/zinc/28/10/38/1202281038.db2.gz GUSQGGMQFPMBHK-MRXNPFEDSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001700459381 1202281180 /nfs/dbraw/zinc/28/11/80/1202281180.db2.gz GGMKBAXKABQRRD-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cscc1C)C1CC1 ZINC001753516614 1202281233 /nfs/dbraw/zinc/28/12/33/1202281233.db2.gz HTINJPYBWJZGEW-HNNXBMFYSA-N 0 3 312.866 3.297 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2cc(C)ccc2s1 ZINC001700480058 1202290760 /nfs/dbraw/zinc/29/07/60/1202290760.db2.gz CJMPTRJCPGNEOZ-CYBMUJFWSA-N 0 3 302.443 3.446 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC001753590728 1202294723 /nfs/dbraw/zinc/29/47/23/1202294723.db2.gz MKUIANDXYPYHQU-SFHVURJKSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)CNCc2c(F)cccc2F)C1 ZINC001753631286 1202302922 /nfs/dbraw/zinc/30/29/22/1202302922.db2.gz WBSBEZUNFYIRFX-CYBMUJFWSA-N 0 3 322.399 3.163 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001700563839 1202313622 /nfs/dbraw/zinc/31/36/22/1202313622.db2.gz OOWJOJWUFTXQNH-LMEZIFLKSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001700563838 1202313943 /nfs/dbraw/zinc/31/39/43/1202313943.db2.gz OOWJOJWUFTXQNH-FINBKCLGSA-N 0 3 320.477 3.001 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CC/C=C\c2ccccc2)C(C)(C)C1 ZINC001700574587 1202316910 /nfs/dbraw/zinc/31/69/10/1202316910.db2.gz QCYZSEIOCASRAL-RKWFYDHTSA-N 0 3 324.468 3.330 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CC2(C1)CCCN(Cc1ccccc1)C2 ZINC001700620702 1202323569 /nfs/dbraw/zinc/32/35/69/1202323569.db2.gz YTFZGAGJESCXCK-UHFFFAOYSA-N 0 3 324.468 3.161 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)CC(F)(F)F ZINC001700670378 1202331856 /nfs/dbraw/zinc/33/18/56/1202331856.db2.gz MMVRFQNLFVQUKG-MWLCHTKSSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001753776375 1202331967 /nfs/dbraw/zinc/33/19/67/1202331967.db2.gz DKCBVIGMQHLXPL-QGZVFWFLSA-N 0 3 320.864 3.398 20 30 DGEDHN CC(C)[C@@H](CNC(=O)CC(C)(C)C)NCC#Cc1ccccc1 ZINC001753825275 1202342372 /nfs/dbraw/zinc/34/23/72/1202342372.db2.gz UYOBCZVEVMYHBW-GOSISDBHSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](CNCc1cncs1)C1CC1 ZINC001700730448 1202344141 /nfs/dbraw/zinc/34/41/41/1202344141.db2.gz LGOLRAXALPEVNI-HNNXBMFYSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001700759225 1202349471 /nfs/dbraw/zinc/34/94/71/1202349471.db2.gz FGJCKDFPWDGLAY-ZDUSSCGKSA-N 0 3 314.429 3.108 20 30 DGEDHN C[C@@H](CN(C)C(=O)C1(C)CCCC1)NCC#Cc1ccccc1 ZINC001700763048 1202350216 /nfs/dbraw/zinc/35/02/16/1202350216.db2.gz SPVLNCXYAXLWOV-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001700817202 1202355393 /nfs/dbraw/zinc/35/53/93/1202355393.db2.gz CJQMHBCCQPQKRT-MJGOQNOKSA-N 0 3 324.468 3.219 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC001700853752 1202359520 /nfs/dbraw/zinc/35/95/20/1202359520.db2.gz MFJRGIBQOKBBOS-ZBFHGGJFSA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@H]1N(Cc1scnc1C)CC2 ZINC001700857760 1202360183 /nfs/dbraw/zinc/36/01/83/1202360183.db2.gz GOJRXVSWNCGKSI-NVXWUHKLSA-N 0 3 319.474 3.031 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](CC)c3ccccc3)CCC[C@@H]12 ZINC001700865491 1202361452 /nfs/dbraw/zinc/36/14/52/1202361452.db2.gz IRNODERIOZGBPD-YFVAEKQCSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)C/C=C/c2ccc(F)cc2)[C@H]1C ZINC001700878579 1202363966 /nfs/dbraw/zinc/36/39/66/1202363966.db2.gz QYCLZIUYXSXVQY-VVEVLUTRSA-N 0 3 316.420 3.384 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)[C@H]1C ZINC001700881433 1202364751 /nfs/dbraw/zinc/36/47/51/1202364751.db2.gz VXWZMCLZXRGDRI-FUHWJXTLSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](CNCc2csc(C)n2)C1 ZINC001700901887 1202368016 /nfs/dbraw/zinc/36/80/16/1202368016.db2.gz NBZUTVSVFXMNNI-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001700915644 1202369683 /nfs/dbraw/zinc/36/96/83/1202369683.db2.gz HHCSHIGBWIMXJS-JOZWUWCOSA-N 0 3 310.869 3.334 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001700945605 1202371776 /nfs/dbraw/zinc/37/17/76/1202371776.db2.gz VQZVPSIYJODSNV-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NCc2cncs2)C(C)(C)C1 ZINC001700946197 1202371834 /nfs/dbraw/zinc/37/18/34/1202371834.db2.gz XEXASYCJHGCZRT-HIFRSBDPSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCc2ccccc2C1)C(C)C ZINC001700973435 1202373583 /nfs/dbraw/zinc/37/35/83/1202373583.db2.gz NATJBDXJFFYJPO-LJQANCHMSA-N 0 3 314.473 3.146 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(CC)n1)C(C)C ZINC001700977674 1202375104 /nfs/dbraw/zinc/37/51/04/1202375104.db2.gz YUXWREIHGKSVKI-UHFFFAOYSA-N 0 3 303.450 3.003 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCCC1(C)C)C(C)C ZINC001700981713 1202376041 /nfs/dbraw/zinc/37/60/41/1202376041.db2.gz WUZIBXRZDDTRDX-QGZVFWFLSA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)CC(C)C)CC1 ZINC001701010300 1202380740 /nfs/dbraw/zinc/38/07/40/1202380740.db2.gz BFBNVBXOJYFNQH-INIZCTEOSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C1CC(NCc2ncccc2C)C1 ZINC001701023211 1202382632 /nfs/dbraw/zinc/38/26/32/1202382632.db2.gz WJWGXYNYSHLJJY-GTPINHCMSA-N 0 3 315.461 3.071 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H](CC)C(C)C)CC2)CC1 ZINC001701032794 1202383803 /nfs/dbraw/zinc/38/38/03/1202383803.db2.gz LWIZKPSKWMQVFD-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](C)c3cccc(C)c3)CC2)CC1 ZINC001701031310 1202383921 /nfs/dbraw/zinc/38/39/21/1202383921.db2.gz XKSJYGXNVRCZCE-KRWDZBQOSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001707055415 1202570199 /nfs/dbraw/zinc/57/01/99/1202570199.db2.gz SHXFGTDDPYFADB-DZGCQCFKSA-N 0 3 319.449 3.046 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001707075727 1202571844 /nfs/dbraw/zinc/57/18/44/1202571844.db2.gz STQCQNPBZLWRPV-OJLVUWQFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001707084414 1202572469 /nfs/dbraw/zinc/57/24/69/1202572469.db2.gz HVXMKRSYFYSLRP-YDHLFZDLSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001707086431 1202572554 /nfs/dbraw/zinc/57/25/54/1202572554.db2.gz MNHOZNBSHSNRGP-BFYDXBDKSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C1=CCCC1 ZINC001707140528 1202574532 /nfs/dbraw/zinc/57/45/32/1202574532.db2.gz LSODYAGVMBBRID-BBRMVZONSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1CC(F)(F)C1 ZINC001707429197 1202584043 /nfs/dbraw/zinc/58/40/43/1202584043.db2.gz ARAYAQVERZNAGK-YPMHNXCESA-N 0 3 320.811 3.143 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)/C=C(\C)C1CC1 ZINC001707443247 1202585115 /nfs/dbraw/zinc/58/51/15/1202585115.db2.gz ZYQUZKLEUCRNGG-ISLYRVAYSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1ccnc(Cl)c1 ZINC001707457618 1202586156 /nfs/dbraw/zinc/58/61/56/1202586156.db2.gz AJYCLANWLVXJGG-UHFFFAOYSA-N 0 3 323.868 3.275 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=C)Cl ZINC001712997489 1202609018 /nfs/dbraw/zinc/60/90/18/1202609018.db2.gz YQRGFNXZWRDZTQ-CVEARBPZSA-N 0 3 310.869 3.292 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC001713060262 1202614105 /nfs/dbraw/zinc/61/41/05/1202614105.db2.gz JHMFMBZFIKVBHY-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001713063055 1202614183 /nfs/dbraw/zinc/61/41/83/1202614183.db2.gz HDMPPHDCLFUTQD-CQSZACIVSA-N 0 3 322.474 3.226 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)CCCCCC)CC1 ZINC001713097724 1202616772 /nfs/dbraw/zinc/61/67/72/1202616772.db2.gz YMDREKVREYVRJT-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001713141814 1202621434 /nfs/dbraw/zinc/62/14/34/1202621434.db2.gz LLICKEJFYDQIPH-ATLSCFEFSA-N 0 3 304.478 3.453 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001713205539 1202626515 /nfs/dbraw/zinc/62/65/15/1202626515.db2.gz NEYNCMLRRQWHKR-QLFBSQMISA-N 0 3 316.848 3.284 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001713271456 1202633737 /nfs/dbraw/zinc/63/37/37/1202633737.db2.gz JCZUFDQRXPORLJ-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001713277299 1202634658 /nfs/dbraw/zinc/63/46/58/1202634658.db2.gz GWAPVHZASJXEGG-QZTJIDSGSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2ccc(F)c(F)c2)CCC1 ZINC001713336490 1202640305 /nfs/dbraw/zinc/64/03/05/1202640305.db2.gz CDMQNUNVORSWDZ-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2cc(C3CC3)no2)C1 ZINC001713369318 1202642359 /nfs/dbraw/zinc/64/23/59/1202642359.db2.gz PSVOZKYDVVADBD-LSDHHAIUSA-N 0 3 317.433 3.035 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001713419109 1202647736 /nfs/dbraw/zinc/64/77/36/1202647736.db2.gz STLQMZIRNWLQSS-WCVJEAGWSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccc(C)c(C)c1 ZINC001713421685 1202647958 /nfs/dbraw/zinc/64/79/58/1202647958.db2.gz SOQYGDCSPQTLOL-OAHLLOKOSA-N 0 3 308.853 3.083 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001713423101 1202648161 /nfs/dbraw/zinc/64/81/61/1202648161.db2.gz HUUPZECXAYCRJF-UHOFOFEASA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001713463241 1202653385 /nfs/dbraw/zinc/65/33/85/1202653385.db2.gz VKELALWAZQLKBU-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001713484800 1202657735 /nfs/dbraw/zinc/65/77/35/1202657735.db2.gz UYDDYFRNKJDHCA-SJORKVTESA-N 0 3 300.446 3.050 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1c(CC)oc2ccccc21 ZINC001713498395 1202660926 /nfs/dbraw/zinc/66/09/26/1202660926.db2.gz SJXCEMVKTWJUIV-UHFFFAOYSA-N 0 3 300.402 3.233 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001713520013 1202664280 /nfs/dbraw/zinc/66/42/80/1202664280.db2.gz LXQGIAGHYYCJEL-IBGZPJMESA-N 0 3 324.468 3.021 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001713527792 1202665605 /nfs/dbraw/zinc/66/56/05/1202665605.db2.gz FEGOBIQIKNWHFD-HZPDHXFCSA-N 0 3 316.420 3.128 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001713646256 1202674848 /nfs/dbraw/zinc/67/48/48/1202674848.db2.gz DOKLJESXBBYGKI-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@H](C)NCc2ocnc2C)CC1 ZINC001713676602 1202676284 /nfs/dbraw/zinc/67/62/84/1202676284.db2.gz DQZYOCFVWQQMTE-AWEZNQCLSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](N[C@@H](C)COC)c1ccccc1 ZINC001713699968 1202678583 /nfs/dbraw/zinc/67/85/83/1202678583.db2.gz CAGQRVRLLMFNOT-DOTOQJQBSA-N 0 3 318.461 3.071 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1(CCF)CC1)c1ccccc1 ZINC001713701086 1202678748 /nfs/dbraw/zinc/67/87/48/1202678748.db2.gz QSJLDINWVVEVEO-INIZCTEOSA-N 0 3 304.409 3.149 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001713722360 1202681808 /nfs/dbraw/zinc/68/18/08/1202681808.db2.gz KZLMGFVXYKVWKL-ABHNRTSZSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)CCC1 ZINC001713735471 1202683762 /nfs/dbraw/zinc/68/37/62/1202683762.db2.gz RQRWHWOCZCNGLC-SHBKCBRUSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)CCC1 ZINC001713735469 1202683952 /nfs/dbraw/zinc/68/39/52/1202683952.db2.gz RQRWHWOCZCNGLC-OZVSCIAHSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001713759384 1202687168 /nfs/dbraw/zinc/68/71/68/1202687168.db2.gz ZYXLJPRPJPBZAD-CYBMUJFWSA-N 0 3 320.399 3.321 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001713849798 1202695511 /nfs/dbraw/zinc/69/55/11/1202695511.db2.gz LHUWJQQRQNETRL-IRXDYDNUSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001713848541 1202695617 /nfs/dbraw/zinc/69/56/17/1202695617.db2.gz AVQGZLGUTHXUOA-ROUUACIJSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001713903597 1202701094 /nfs/dbraw/zinc/70/10/94/1202701094.db2.gz ZKVPUCPNZJZSSJ-XWTMOSNGSA-N 0 3 302.462 3.373 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001713933402 1202703446 /nfs/dbraw/zinc/70/34/46/1202703446.db2.gz VBRKJXXZOMMRLJ-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccco1 ZINC001713939960 1202703954 /nfs/dbraw/zinc/70/39/54/1202703954.db2.gz QDYLIHPHBRNLAG-PMPSAXMXSA-N 0 3 302.418 3.025 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C=C)c1ccccc1 ZINC001713942102 1202704367 /nfs/dbraw/zinc/70/43/67/1202704367.db2.gz VUYPKCQTFWAVLO-WDSOQIARSA-N 0 3 310.441 3.208 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001713957040 1202705968 /nfs/dbraw/zinc/70/59/68/1202705968.db2.gz QYOXIADPOCTAFN-MGPQQGTHSA-N 0 3 304.409 3.336 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001713957976 1202706399 /nfs/dbraw/zinc/70/63/99/1202706399.db2.gz RBFGOCGKMCXBNN-QEJZJMRPSA-N 0 3 321.852 3.074 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001713996636 1202720903 /nfs/dbraw/zinc/72/09/03/1202720903.db2.gz WGHZOAHSMCCOPF-LJQANCHMSA-N 0 3 312.457 3.221 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001714019769 1202730633 /nfs/dbraw/zinc/73/06/33/1202730633.db2.gz CXYVJVQYXUCVSF-LYRGGWFBSA-N 0 3 324.827 3.309 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C/C=C\Cc2ccccc2)C1 ZINC001714035142 1202742851 /nfs/dbraw/zinc/74/28/51/1202742851.db2.gz HJJDIECFYXAOHO-WHXUGTBJSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001714046885 1202749728 /nfs/dbraw/zinc/74/97/28/1202749728.db2.gz OGIFTGRTGKHFPW-AEFFLSMTSA-N 0 3 322.493 3.223 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC1(F)F ZINC001714110755 1202781679 /nfs/dbraw/zinc/78/16/79/1202781679.db2.gz KQMPTXLQAZCEBB-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)CC(F)(F)F ZINC001714109355 1202781869 /nfs/dbraw/zinc/78/18/69/1202781869.db2.gz IZYVHIANBOQSDV-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001714112885 1202784282 /nfs/dbraw/zinc/78/42/82/1202784282.db2.gz BDUBELOOHVECLM-MJGOQNOKSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#CC ZINC001714144007 1202800112 /nfs/dbraw/zinc/80/01/12/1202800112.db2.gz ISUJTOQGCDDRPU-QZTJIDSGSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001714270436 1202856386 /nfs/dbraw/zinc/85/63/86/1202856386.db2.gz YWOYSBJTOFZFCW-OLZOCXBDSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2nc(C)sc2C)C1 ZINC001714393517 1202910122 /nfs/dbraw/zinc/91/01/22/1202910122.db2.gz KHAFUVKYHNOPDA-HUUCEWRRSA-N 0 3 321.490 3.243 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC001714440646 1202935830 /nfs/dbraw/zinc/93/58/30/1202935830.db2.gz LACXXUKDTQXUHV-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1oc(C(F)F)cc1C ZINC001714472371 1202953414 /nfs/dbraw/zinc/95/34/14/1202953414.db2.gz ILQVJPFFEAQGLW-SNVBAGLBSA-N 0 3 320.767 3.376 20 30 DGEDHN C=CCN(CC)CCNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001714584508 1203025408 /nfs/dbraw/zinc/02/54/08/1203025408.db2.gz HBZUAQUEMQDLLG-UHFFFAOYSA-N 0 3 302.409 3.216 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1c(Cl)oc2ccccc21 ZINC001714655472 1203078799 /nfs/dbraw/zinc/07/87/99/1203078799.db2.gz DLRRWNOXVLWJDX-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN C=CCN(CCNC(=O)C(C)(C)c1ccc(CC)cc1)C1CC1 ZINC001714673834 1203094088 /nfs/dbraw/zinc/09/40/88/1203094088.db2.gz KUPSSCXDYBHBHH-UHFFFAOYSA-N 0 3 314.473 3.293 20 30 DGEDHN C=CCN(CCNC(=O)C[C@H](C)c1ccccc1F)C1CC1 ZINC001714674880 1203096328 /nfs/dbraw/zinc/09/63/28/1203096328.db2.gz YALOCUIKXKJZJN-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001714726977 1203111252 /nfs/dbraw/zinc/11/12/52/1203111252.db2.gz DGCOWHBVKJLKBN-ZDUSSCGKSA-N 0 3 321.490 3.240 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001714770404 1203122700 /nfs/dbraw/zinc/12/27/00/1203122700.db2.gz AHOJUSQUFQXYHG-OAHLLOKOSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)C[NH2+][C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001714836621 1203145666 /nfs/dbraw/zinc/14/56/66/1203145666.db2.gz ULEVKEYGZDYPQZ-QGZVFWFLSA-N 0 3 310.397 3.029 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(OC)cs1)c1ccccc1 ZINC001714838601 1203146711 /nfs/dbraw/zinc/14/67/11/1203146711.db2.gz PCIAJXSWDLZZTK-OAHLLOKOSA-N 0 3 316.426 3.003 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc(C)[nH]c1C)c1ccccc1 ZINC001714840139 1203147310 /nfs/dbraw/zinc/14/73/10/1203147310.db2.gz PHVPGIUZDFJLGF-GOSISDBHSA-N 0 3 311.429 3.268 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C[C@@H](C)c1ccco1)c1ccccc1 ZINC001714850669 1203151055 /nfs/dbraw/zinc/15/10/55/1203151055.db2.gz VUGHGAPSCRBJFQ-SJLPKXTDSA-N 0 3 324.424 3.244 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)C(C)(F)F)C1 ZINC001714872977 1203168535 /nfs/dbraw/zinc/16/85/35/1203168535.db2.gz PATRWSCSTQALLF-KBPBESRZSA-N 0 3 302.409 3.167 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001714889481 1203180112 /nfs/dbraw/zinc/18/01/12/1203180112.db2.gz GGEHFKKDFIQINV-LJQANCHMSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(C)CC#Cc2ccccc2)CC1 ZINC001714902286 1203186794 /nfs/dbraw/zinc/18/67/94/1203186794.db2.gz DLCTWWMAQJRXFO-UHFFFAOYSA-N 0 3 324.468 3.175 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001714971004 1203221303 /nfs/dbraw/zinc/22/13/03/1203221303.db2.gz BVNDSQPGZBXJHZ-HXUWFJFHSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccccc1 ZINC001714990227 1203227129 /nfs/dbraw/zinc/22/71/29/1203227129.db2.gz ODGRMKNXNHBECS-OALUTQOASA-N 0 3 312.457 3.261 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001715001179 1203231805 /nfs/dbraw/zinc/23/18/05/1203231805.db2.gz YIDGSOAXGLCEHY-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN CN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001715012171 1203237139 /nfs/dbraw/zinc/23/71/39/1203237139.db2.gz ONWUNKPMSGPIIP-LJQANCHMSA-N 0 3 322.452 3.010 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001715023179 1203241582 /nfs/dbraw/zinc/24/15/82/1203241582.db2.gz FKVJUAJKVVJLLB-ZWKOTPCHSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccccc2C)C1 ZINC001715023267 1203241916 /nfs/dbraw/zinc/24/19/16/1203241916.db2.gz FXBSZHSAKDWJRD-ROUUACIJSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cc(C)ccc2C)C1 ZINC001715039566 1203249500 /nfs/dbraw/zinc/24/95/00/1203249500.db2.gz BDRFSBYYUSWKOC-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccsc2C)C1 ZINC001715048670 1203254334 /nfs/dbraw/zinc/25/43/34/1203254334.db2.gz XDSGJNGRSVQYTE-INIZCTEOSA-N 0 3 306.475 3.098 20 30 DGEDHN C=CCCC(=O)NC[C@@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001715049355 1203254641 /nfs/dbraw/zinc/25/46/41/1203254641.db2.gz OSRTXSOPAUPLLV-QGZVFWFLSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccsc2C)C1 ZINC001715048671 1203254600 /nfs/dbraw/zinc/25/46/00/1203254600.db2.gz XDSGJNGRSVQYTE-MRXNPFEDSA-N 0 3 306.475 3.098 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1ccc(C)cc1Cl ZINC001715053398 1203256474 /nfs/dbraw/zinc/25/64/74/1203256474.db2.gz AGLYCVVSGPUQSY-MRXNPFEDSA-N 0 3 320.864 3.292 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1ccc(C)cc1Cl ZINC001715053396 1203256621 /nfs/dbraw/zinc/25/66/21/1203256621.db2.gz AGLYCVVSGPUQSY-INIZCTEOSA-N 0 3 320.864 3.292 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@H](F)C2)CCCC1 ZINC001715095897 1203271414 /nfs/dbraw/zinc/27/14/14/1203271414.db2.gz WLMLUCOCUAXIMX-KGLIPLIRSA-N 0 3 316.848 3.286 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)CC2(C)CCCCC2)cc1 ZINC001715198802 1203294445 /nfs/dbraw/zinc/29/44/45/1203294445.db2.gz VNBSBMPBSBXLCV-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)c2ccc(C)o2)CCCC1 ZINC001715307108 1203311863 /nfs/dbraw/zinc/31/18/63/1203311863.db2.gz IQBUISWPXBNRFP-CQSZACIVSA-N 0 3 324.852 3.463 20 30 DGEDHN CCC(=CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1)CC ZINC001715329269 1203317054 /nfs/dbraw/zinc/31/70/54/1203317054.db2.gz QRGBNCWHABJIJK-ZDUSSCGKSA-N 0 3 319.474 3.303 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001715391903 1203332902 /nfs/dbraw/zinc/33/29/02/1203332902.db2.gz VTSJABGBWJQZEB-UUSOHVMFSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1cccc(C)c1)C(C)C ZINC001715500594 1203353636 /nfs/dbraw/zinc/35/36/36/1203353636.db2.gz XMKGHVJAZKFGTQ-QGZVFWFLSA-N 0 3 322.880 3.411 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1cncc(F)c1)C(C)C ZINC001715509121 1203356069 /nfs/dbraw/zinc/35/60/69/1203356069.db2.gz RETMSSUJSRDPLF-WMZOPIPTSA-N 0 3 321.440 3.053 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001715517155 1203358728 /nfs/dbraw/zinc/35/87/28/1203358728.db2.gz BWGVLIFKEBCJDU-HNNXBMFYSA-N 0 3 320.864 3.451 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1coc2ccc(CC)cc21 ZINC001715518881 1203359397 /nfs/dbraw/zinc/35/93/97/1203359397.db2.gz CMSNMBDTQMABAL-UHFFFAOYSA-N 0 3 312.413 3.022 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001715533810 1203364763 /nfs/dbraw/zinc/36/47/63/1203364763.db2.gz PWIIXAYCGCVPMP-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H]1CNCc1nc(C)c(C)s1 ZINC001715547993 1203369598 /nfs/dbraw/zinc/36/95/98/1203369598.db2.gz MDKZDASCYKERBM-GJZGRUSLSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CN[C@@H](C)c1cccc(Cl)c1 ZINC001715813283 1203394855 /nfs/dbraw/zinc/39/48/55/1203394855.db2.gz WXYYWQYKUOSOMX-XHPSBEMXSA-N 0 3 318.848 3.467 20 30 DGEDHN C=CCCCC(=O)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001715858148 1203398125 /nfs/dbraw/zinc/39/81/25/1203398125.db2.gz HMZYMCNOFQOMRY-DUMMIQTOSA-N 0 3 316.420 3.431 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CCC1CCCC1 ZINC001715916193 1203403678 /nfs/dbraw/zinc/40/36/78/1203403678.db2.gz JIRGSVVRTHUEQB-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001715916712 1203403702 /nfs/dbraw/zinc/40/37/02/1203403702.db2.gz WCGIKTUZZFASLQ-VOTSOKGWSA-N 0 3 308.425 3.153 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001715920100 1203404105 /nfs/dbraw/zinc/40/41/05/1203404105.db2.gz VDCUTDDICZLFCF-CQSZACIVSA-N 0 3 306.425 3.489 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001716027580 1203427918 /nfs/dbraw/zinc/42/79/18/1203427918.db2.gz LOBYZSBNDPFXAZ-RDTXWAMCSA-N 0 3 316.420 3.053 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716038701 1203431930 /nfs/dbraw/zinc/43/19/30/1203431930.db2.gz OCEYDGGGNQVVOQ-HZPDHXFCSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001716041674 1203433354 /nfs/dbraw/zinc/43/33/54/1203433354.db2.gz UYUKRXOPMGFPQC-KSSFIOAISA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001716177569 1203446384 /nfs/dbraw/zinc/44/63/84/1203446384.db2.gz ZQJCDQTVASOYAG-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C2CC2)nc1C ZINC001716175731 1203446435 /nfs/dbraw/zinc/44/64/35/1203446435.db2.gz WGEZBCNXMVYFJO-LBPRGKRZSA-N 0 3 321.852 3.118 20 30 DGEDHN CCC[C@@H](C)C(=O)N(CC)CCNCc1ccc(F)c(C#N)c1 ZINC001716210461 1203449778 /nfs/dbraw/zinc/44/97/78/1203449778.db2.gz RFQGDMQMVMBHKN-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001716233609 1203451871 /nfs/dbraw/zinc/45/18/71/1203451871.db2.gz JLCMUFFOBFAXIT-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC(C)(C)C1CC1 ZINC001716394362 1203466181 /nfs/dbraw/zinc/46/61/81/1203466181.db2.gz VXRIBOCDNUKGHV-GFCCVEGCSA-N 0 3 319.474 3.040 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC1(C)CCCC1 ZINC001716435623 1203473507 /nfs/dbraw/zinc/47/35/07/1203473507.db2.gz RDZOWYIIDXOJTH-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001716473073 1203482613 /nfs/dbraw/zinc/48/26/13/1203482613.db2.gz NGNKHMMNDNAWMX-GUYCJALGSA-N 0 3 304.409 3.216 20 30 DGEDHN C[C@@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C#CC(C)(C)C ZINC001716477988 1203484870 /nfs/dbraw/zinc/48/48/70/1203484870.db2.gz NBVLXRZLWSAXCM-GJZGRUSLSA-N 0 3 318.436 3.373 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(CC)cc1 ZINC001716490087 1203488476 /nfs/dbraw/zinc/48/84/76/1203488476.db2.gz VIRHVIMTJHCIDX-OAHLLOKOSA-N 0 3 302.462 3.398 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716505978 1203495704 /nfs/dbraw/zinc/49/57/04/1203495704.db2.gz SUTRJOAUCHXFCQ-OAHLLOKOSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001716549028 1203501514 /nfs/dbraw/zinc/50/15/14/1203501514.db2.gz MDUWYZKCDSYAFF-HOCLYGCPSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001716578205 1203503947 /nfs/dbraw/zinc/50/39/47/1203503947.db2.gz ZJLUUHCUNGIHQL-UHFFFAOYSA-N 0 3 314.779 3.156 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001716622006 1203508122 /nfs/dbraw/zinc/50/81/22/1203508122.db2.gz YBNNNILURVXZCF-WFASDCNBSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001716665152 1203518374 /nfs/dbraw/zinc/51/83/74/1203518374.db2.gz HHFZNUKREKKWAX-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001716664244 1203518721 /nfs/dbraw/zinc/51/87/21/1203518721.db2.gz OWFWQXGWSAUVAI-GJZGRUSLSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001716683367 1203524627 /nfs/dbraw/zinc/52/46/27/1203524627.db2.gz BAAIJAOCZZXWRG-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001716691132 1203525832 /nfs/dbraw/zinc/52/58/32/1203525832.db2.gz BXHZOXZDJUNFFI-INIZCTEOSA-N 0 3 315.461 3.039 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C)c3ccccc23)CC1 ZINC001716694435 1203526798 /nfs/dbraw/zinc/52/67/98/1203526798.db2.gz LOQWIPGNLRYBEG-UHFFFAOYSA-N 0 3 306.409 3.024 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCC2(C)CC2)C1 ZINC001716705667 1203528880 /nfs/dbraw/zinc/52/88/80/1203528880.db2.gz DNRMFKDSJUPTPP-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001716735323 1203534686 /nfs/dbraw/zinc/53/46/86/1203534686.db2.gz NSWRNKFJPXRBIG-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)c(C)c1)C1CCN(CC(=C)C)CC1 ZINC001716811873 1203546125 /nfs/dbraw/zinc/54/61/25/1203546125.db2.gz QCKWAYWQYBMRBU-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001716830303 1203549477 /nfs/dbraw/zinc/54/94/77/1203549477.db2.gz NAEPFSOHQCRVMV-FQEVSTJZSA-N 0 3 316.489 3.317 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001716898109 1203565401 /nfs/dbraw/zinc/56/54/01/1203565401.db2.gz OTXXZXLSAZYWGA-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CN(CC[C@H](C)F)CCC1(F)F ZINC001716910699 1203567835 /nfs/dbraw/zinc/56/78/35/1203567835.db2.gz IYYMYHMOIDBQDW-UONOGXRCSA-N 0 3 320.399 3.164 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1CC ZINC001716954278 1203569269 /nfs/dbraw/zinc/56/92/69/1203569269.db2.gz RFWJEKSBEDKQPR-HNAYVOBHSA-N 0 3 312.457 3.065 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1CC ZINC001716954277 1203569531 /nfs/dbraw/zinc/56/95/31/1203569531.db2.gz RFWJEKSBEDKQPR-DNVCBOLYSA-N 0 3 312.457 3.065 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2c(F)cccc2F)C1 ZINC001716959139 1203570398 /nfs/dbraw/zinc/57/03/98/1203570398.db2.gz JZJDYPZMCGYYNI-KGLIPLIRSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2c(F)cccc2F)C1 ZINC001716959138 1203570536 /nfs/dbraw/zinc/57/05/36/1203570536.db2.gz JZJDYPZMCGYYNI-KBPBESRZSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1c(C)coc1C ZINC001717113243 1203586096 /nfs/dbraw/zinc/58/60/96/1203586096.db2.gz UWBATBUUSAEYHM-UHFFFAOYSA-N 0 3 312.413 3.444 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)CCCC)cc1 ZINC001717116573 1203586794 /nfs/dbraw/zinc/58/67/94/1203586794.db2.gz UODJQTCMAMSFAS-JKSUJKDBSA-N 0 3 300.446 3.413 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(CC)CC)cc1 ZINC001717117535 1203586863 /nfs/dbraw/zinc/58/68/63/1203586863.db2.gz VIJLUKFMLFRSGG-OAHLLOKOSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccccc1OC ZINC001717117615 1203586921 /nfs/dbraw/zinc/58/69/21/1203586921.db2.gz XNYBFDDTJFMARB-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C[C@H]3C=CCC3)cccc2C1 ZINC001717142133 1203589933 /nfs/dbraw/zinc/58/99/33/1203589933.db2.gz CPNHJIPYUNFWFU-KRWDZBQOSA-N 0 3 322.452 3.041 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001717143988 1203590242 /nfs/dbraw/zinc/59/02/42/1203590242.db2.gz YNSUEZRDVSXEPN-HZPDHXFCSA-N 0 3 316.445 3.331 20 30 DGEDHN CC#CCNC1(CNC(=O)c2sccc2C(C)C)CCC1 ZINC001717162778 1203594557 /nfs/dbraw/zinc/59/45/57/1203594557.db2.gz IISSTFMOCWWIJP-UHFFFAOYSA-N 0 3 304.459 3.137 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001717193560 1203596311 /nfs/dbraw/zinc/59/63/11/1203596311.db2.gz AWSICEFLYOTFED-CQSZACIVSA-N 0 3 318.383 3.103 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001717215064 1203604650 /nfs/dbraw/zinc/60/46/50/1203604650.db2.gz WTLHGJCOWPFXSO-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCCC ZINC001717244090 1203609084 /nfs/dbraw/zinc/60/90/84/1203609084.db2.gz QETOTDFZPVDMNT-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001717368690 1203627417 /nfs/dbraw/zinc/62/74/17/1203627417.db2.gz FIWRUCQQHBGMSO-INIZCTEOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)c1ccc(F)cc1 ZINC001717375616 1203629848 /nfs/dbraw/zinc/62/98/48/1203629848.db2.gz ZIONSPDDTBDOID-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(CCF)C2)C1 ZINC001717379758 1203632474 /nfs/dbraw/zinc/63/24/74/1203632474.db2.gz ZLKPXXOALVNEFU-HZPDHXFCSA-N 0 3 310.457 3.119 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(CCF)C2)C1 ZINC001717379756 1203632511 /nfs/dbraw/zinc/63/25/11/1203632511.db2.gz ZLKPXXOALVNEFU-CVEARBPZSA-N 0 3 310.457 3.119 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001717396580 1203635278 /nfs/dbraw/zinc/63/52/78/1203635278.db2.gz HMRITDCKRDMFOZ-GJZGRUSLSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001717425178 1203641643 /nfs/dbraw/zinc/64/16/43/1203641643.db2.gz OPKCAUWQMWYYBR-STQMWFEESA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CCC(NCc2cnc(C)o2)CC1 ZINC001717448163 1203646884 /nfs/dbraw/zinc/64/68/84/1203646884.db2.gz YOPIJYHFDGEXDA-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(CF)cc1 ZINC001717474743 1203656448 /nfs/dbraw/zinc/65/64/48/1203656448.db2.gz SIMJIOZYZSEYAA-HNNXBMFYSA-N 0 3 306.425 3.449 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccncc2C)CCCCC1 ZINC001717523661 1203671052 /nfs/dbraw/zinc/67/10/52/1203671052.db2.gz ZZVGQOTXBMTHQH-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)CCC ZINC001717528345 1203672362 /nfs/dbraw/zinc/67/23/62/1203672362.db2.gz UYRWBDRYUBXAHN-GOSISDBHSA-N 0 3 318.436 3.242 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)CCC ZINC001717528346 1203672455 /nfs/dbraw/zinc/67/24/55/1203672455.db2.gz UYRWBDRYUBXAHN-SFHVURJKSA-N 0 3 318.436 3.242 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)CC(C)C ZINC001717529028 1203672999 /nfs/dbraw/zinc/67/29/99/1203672999.db2.gz MOESMMUEIXKRMK-LJQANCHMSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CN(Cc3ccc(C)cc3)C2)C1 ZINC001717557361 1203681406 /nfs/dbraw/zinc/68/14/06/1203681406.db2.gz UVBJBTCPHFAXBS-INIZCTEOSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccccc2)C(C)(C)C1 ZINC001717585170 1203686826 /nfs/dbraw/zinc/68/68/26/1203686826.db2.gz LPJRIXSKWSQZRC-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001717648489 1203693985 /nfs/dbraw/zinc/69/39/85/1203693985.db2.gz BGTGMFZESLBOBC-KTBIRVAVSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(N(C)Cc2cnoc2C)CC1 ZINC001717703227 1203702152 /nfs/dbraw/zinc/70/21/52/1203702152.db2.gz OCDMVFGOBWLVGX-OAHLLOKOSA-N 0 3 319.449 3.008 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@]12C[C@H]1CCCC2)NCC#Cc1ccccc1 ZINC001717742486 1203708145 /nfs/dbraw/zinc/70/81/45/1203708145.db2.gz MNIVYTKJJGJNDF-YFVAEKQCSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@@]12C[C@@H]1CCCC2)NCC#Cc1ccccc1 ZINC001717742483 1203708218 /nfs/dbraw/zinc/70/82/18/1203708218.db2.gz MNIVYTKJJGJNDF-LMNJBCLMSA-N 0 3 324.468 3.055 20 30 DGEDHN CCCC(=O)N1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@H]1C ZINC001717785749 1203711871 /nfs/dbraw/zinc/71/18/71/1203711871.db2.gz DVNYFULFWGUITL-PBHICJAKSA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)CCCCCC)CCC[C@H]12 ZINC001717839187 1203719679 /nfs/dbraw/zinc/71/96/79/1203719679.db2.gz DCQXPUZCEVCMKO-JENIJYKNSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1cccc(C2CC2)c1)C(C)C ZINC001717949227 1203733125 /nfs/dbraw/zinc/73/31/25/1203733125.db2.gz QBQZYMVKBCUCOV-UHFFFAOYSA-N 0 3 314.473 3.461 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)c1cccc(C)c1)C(C)C ZINC001717951314 1203733931 /nfs/dbraw/zinc/73/39/31/1203733931.db2.gz OYYYBKANDJDUBZ-GOSISDBHSA-N 0 3 314.473 3.291 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](CCC)C(C)C)CC2)CC1 ZINC001718004029 1203742782 /nfs/dbraw/zinc/74/27/82/1203742782.db2.gz ZZCMKSDKDRTXTK-SFHVURJKSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001718033823 1203745208 /nfs/dbraw/zinc/74/52/08/1203745208.db2.gz WIVVNVOFHAMHAU-OAHLLOKOSA-N 0 3 316.420 3.254 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC001718033822 1203745441 /nfs/dbraw/zinc/74/54/41/1203745441.db2.gz WIVVNVOFHAMHAU-HNNXBMFYSA-N 0 3 316.420 3.254 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C/C=C(\C)C=C)c(F)c1 ZINC001718037062 1203745726 /nfs/dbraw/zinc/74/57/26/1203745726.db2.gz LHUQCBGCTBMQBR-MKMNVTDBSA-N 0 3 302.393 3.240 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C/C=C(/C)C=C)c(F)c1 ZINC001718037063 1203745929 /nfs/dbraw/zinc/74/59/29/1203745929.db2.gz LHUQCBGCTBMQBR-NSIKDUERSA-N 0 3 302.393 3.240 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)C(C)(C)C(C)C ZINC001723030748 1203956500 /nfs/dbraw/zinc/95/65/00/1203956500.db2.gz HXSNTOSXYCAMGE-UHFFFAOYSA-N 0 3 319.287 3.015 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cc(C)ns1)C1CC1 ZINC001723324573 1203963570 /nfs/dbraw/zinc/96/35/70/1203963570.db2.gz NOHJMMQQALNCJQ-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001723444141 1203972573 /nfs/dbraw/zinc/97/25/73/1203972573.db2.gz XXYWWOGFUVYKPF-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001723447253 1203973599 /nfs/dbraw/zinc/97/35/99/1203973599.db2.gz SGOSFMIDKFSMKJ-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001723462371 1203975477 /nfs/dbraw/zinc/97/54/77/1203975477.db2.gz DMLLOHDTGUDIPZ-PXNSSMCTSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001723473767 1203977598 /nfs/dbraw/zinc/97/75/98/1203977598.db2.gz SYRQUDQCGJKCLU-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN N#Cc1cccc(CNC2(CNC(=O)C[C@@H]3C=CCCC3)CC2)c1 ZINC001723530489 1203980887 /nfs/dbraw/zinc/98/08/87/1203980887.db2.gz VGHHGKDGPFVKKY-MRXNPFEDSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@]3(C2)CCCN(CC#CC)C3)CCC1 ZINC001723678483 1203988566 /nfs/dbraw/zinc/98/85/66/1203988566.db2.gz FSJRIGAAGAKRMF-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCc1cc(C)ns1 ZINC001723937634 1203998982 /nfs/dbraw/zinc/99/89/82/1203998982.db2.gz NICJPRCJNIUKJR-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)NC1(C)CCN(CCOc2ccccc2)CC1 ZINC001723992921 1204000362 /nfs/dbraw/zinc/00/03/62/1204000362.db2.gz AAQAOYIKFKFPOV-UHFFFAOYSA-N 0 3 316.445 3.002 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC(C)=C(C)C)C2 ZINC001724125453 1204006191 /nfs/dbraw/zinc/00/61/91/1204006191.db2.gz GNLLTDQWJFESSU-FQEVSTJZSA-N 0 3 316.489 3.461 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CCCCN(C(=O)CCCC(C)=O)C2 ZINC001724122792 1204006209 /nfs/dbraw/zinc/00/62/09/1204006209.db2.gz RUEZYQHSLQENQN-LJQANCHMSA-N 0 3 320.477 3.026 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc3ccccc3c2)C1 ZINC001724139710 1204008044 /nfs/dbraw/zinc/00/80/44/1204008044.db2.gz DMWIAHSGNOBAMY-QRWLVFNGSA-N 0 3 321.424 3.080 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccc(C)cc2)C1 ZINC001724166590 1204010671 /nfs/dbraw/zinc/01/06/71/1204010671.db2.gz YTVALAVPGIMOFZ-LJQANCHMSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001724191115 1204013693 /nfs/dbraw/zinc/01/36/93/1204013693.db2.gz SLYXUFRYIVGQHJ-UGSOOPFHSA-N 0 3 322.399 3.225 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001724333718 1204023084 /nfs/dbraw/zinc/02/30/84/1204023084.db2.gz PFHBODAOUAULJM-MAUKXSAKSA-N 0 3 318.486 3.093 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccc(C)c2F)C1 ZINC001724708435 1204039220 /nfs/dbraw/zinc/03/92/20/1204039220.db2.gz WAAHFRWWSIXMIF-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN CC[C@H](F)CN[C@H](C)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001724741283 1204041962 /nfs/dbraw/zinc/04/19/62/1204041962.db2.gz IWBXDSNRKBVZIM-KDOFPFPSSA-N 0 3 316.420 3.115 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC001724745795 1204042788 /nfs/dbraw/zinc/04/27/88/1204042788.db2.gz SCLCUGOVUHQAAF-CZUORRHYSA-N 0 3 320.383 3.022 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](C)CC2CCCCC2)CCC1 ZINC001724797085 1204048367 /nfs/dbraw/zinc/04/83/67/1204048367.db2.gz QCZXQNNXKVEIGS-INIZCTEOSA-N 0 3 304.478 3.245 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccnc2C)CC1 ZINC001724835683 1204051540 /nfs/dbraw/zinc/05/15/40/1204051540.db2.gz KNHMTVAOKVIJTK-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001724836137 1204051550 /nfs/dbraw/zinc/05/15/50/1204051550.db2.gz NBTGGWSMZOEIAM-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001724856084 1204058245 /nfs/dbraw/zinc/05/82/45/1204058245.db2.gz COEFVYMPMCFUNX-IAGOWNOFSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC ZINC001724893451 1204063590 /nfs/dbraw/zinc/06/35/90/1204063590.db2.gz AQJRWOABVWAXPS-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001724942117 1204067973 /nfs/dbraw/zinc/06/79/73/1204067973.db2.gz IBJGLBFPUVFARI-NWDGAFQWSA-N 0 3 317.260 3.098 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001725012958 1204079448 /nfs/dbraw/zinc/07/94/48/1204079448.db2.gz LPBAGBUFOVVZRN-IBGZPJMESA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)Cc1ccccc1 ZINC001725045354 1204084680 /nfs/dbraw/zinc/08/46/80/1204084680.db2.gz FYDVHWJVUINSEU-OALUTQOASA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001725116368 1204097898 /nfs/dbraw/zinc/09/78/98/1204097898.db2.gz RRWHGQKMHLUYFW-OLZOCXBDSA-N 0 3 309.841 3.074 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001725136027 1204101233 /nfs/dbraw/zinc/10/12/33/1204101233.db2.gz TVKYCWWKTZEPCI-STQMWFEESA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001725143704 1204102444 /nfs/dbraw/zinc/10/24/44/1204102444.db2.gz DFCWLWJCBPDAKT-GJZGRUSLSA-N 0 3 312.885 3.249 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001725161471 1204107415 /nfs/dbraw/zinc/10/74/15/1204107415.db2.gz OJOOSROCGIZAJC-GJZGRUSLSA-N 0 3 318.436 3.373 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001725164271 1204107865 /nfs/dbraw/zinc/10/78/65/1204107865.db2.gz FKFAECHFNKTNMY-LSDHHAIUSA-N 0 3 306.425 3.017 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001725173223 1204110124 /nfs/dbraw/zinc/11/01/24/1204110124.db2.gz AUSAIQTYNALRQC-JKSUJKDBSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001725186984 1204115114 /nfs/dbraw/zinc/11/51/14/1204115114.db2.gz JUOFFBKBSDVNBN-ZIAGYGMSSA-N 0 3 300.402 3.159 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001725250917 1204128055 /nfs/dbraw/zinc/12/80/55/1204128055.db2.gz NYBZBHZZPULWOR-SJORKVTESA-N 0 3 312.457 3.378 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001725258465 1204128962 /nfs/dbraw/zinc/12/89/62/1204128962.db2.gz ISTUHIBQCWTTCS-MRXNPFEDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001725258462 1204128972 /nfs/dbraw/zinc/12/89/72/1204128972.db2.gz ISTUHIBQCWTTCS-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001725262504 1204130013 /nfs/dbraw/zinc/13/00/13/1204130013.db2.gz FLCSTBZEIYRTOI-GFCCVEGCSA-N 0 3 324.827 3.034 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)CC1(C)C ZINC001725286338 1204132765 /nfs/dbraw/zinc/13/27/65/1204132765.db2.gz WAVFEXJPHWKFQB-QGZVFWFLSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCCC(=O)N1C[C@@]2(C)CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001725344617 1204139221 /nfs/dbraw/zinc/13/92/21/1204139221.db2.gz YNJCSWBQARMSCM-HDICACEKSA-N 0 3 318.486 3.385 20 30 DGEDHN C[C@H](CN(C)C(=O)CC1=CCCCC1)NCC#Cc1ccccc1 ZINC001725480112 1204156362 /nfs/dbraw/zinc/15/63/62/1204156362.db2.gz OLAUHDMQZIWMGB-GOSISDBHSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2cnc(C)s2)CC1 ZINC001725502251 1204160205 /nfs/dbraw/zinc/16/02/05/1204160205.db2.gz CBJSCFGFYYULFF-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001725585294 1204172100 /nfs/dbraw/zinc/17/21/00/1204172100.db2.gz GJRWCRPZNDLNDI-CZUORRHYSA-N 0 3 320.383 3.014 20 30 DGEDHN C#CCCCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001725587984 1204172746 /nfs/dbraw/zinc/17/27/46/1204172746.db2.gz BJADYNUUIRVYFG-SJLPKXTDSA-N 0 3 316.470 3.165 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2ccc(Cl)s2)C[C@H]1C ZINC001725587644 1204172768 /nfs/dbraw/zinc/17/27/68/1204172768.db2.gz NXOZTLVEKMXWNG-CHWSQXEVSA-N 0 3 324.877 3.284 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2ccc(Cl)s2)C[C@H]1C ZINC001725587646 1204173050 /nfs/dbraw/zinc/17/30/50/1204173050.db2.gz NXOZTLVEKMXWNG-OLZOCXBDSA-N 0 3 324.877 3.284 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001725594509 1204174906 /nfs/dbraw/zinc/17/49/06/1204174906.db2.gz XXGLYEAKBXJTDY-GDBMZVCRSA-N 0 3 312.413 3.478 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001725596188 1204175535 /nfs/dbraw/zinc/17/55/35/1204175535.db2.gz LNIMREZMVDTKPS-HOCLYGCPSA-N 0 3 304.409 3.261 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3cccc(C)c3)CCC[C@H]12 ZINC001725606969 1204178444 /nfs/dbraw/zinc/17/84/44/1204178444.db2.gz JKQBTIBWKLVNOO-FPOVZHCZSA-N 0 3 324.468 3.064 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC/C=C\c3ccccc3)CCC[C@@H]12 ZINC001725610457 1204179390 /nfs/dbraw/zinc/17/93/90/1204179390.db2.gz LBFWHEVOXAJTDA-XDAAGJMFSA-N 0 3 322.452 3.226 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC/C=C/c3ccccc3)CCC[C@H]12 ZINC001725610454 1204179555 /nfs/dbraw/zinc/17/95/55/1204179555.db2.gz LBFWHEVOXAJTDA-BUHCOJROSA-N 0 3 322.452 3.226 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cccs2)[C@H]1C ZINC001725645252 1204190660 /nfs/dbraw/zinc/19/06/60/1204190660.db2.gz ZFJNBSGSQPLXSW-ZBFHGGJFSA-N 0 3 306.475 3.226 20 30 DGEDHN Cc1ccccc1CN(C)CCN(C(=O)C#CC(C)C)C(C)C ZINC001725727840 1204202352 /nfs/dbraw/zinc/20/23/52/1204202352.db2.gz GXEZQIAFOOQHEX-UHFFFAOYSA-N 0 3 314.473 3.323 20 30 DGEDHN CC(C)(C)[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccoc1 ZINC001725734515 1204206218 /nfs/dbraw/zinc/20/62/18/1204206218.db2.gz AOYQIIFNAMRWML-GOSISDBHSA-N 0 3 324.424 3.065 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@](C)(F)CCCC)CC1 ZINC001725766541 1204216945 /nfs/dbraw/zinc/21/69/45/1204216945.db2.gz KJYGVPFCCXLCSH-MAUKXSAKSA-N 0 3 310.457 3.145 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](CC)CCC)CC2)CC1 ZINC001725798283 1204224253 /nfs/dbraw/zinc/22/42/53/1204224253.db2.gz VIVXOTIVTYJGQJ-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001725818132 1204226183 /nfs/dbraw/zinc/22/61/83/1204226183.db2.gz UBSUBNYAKOIXEY-VOTSOKGWSA-N 0 3 310.441 3.110 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)[C@@H](C)CC)c(F)c1 ZINC001725832755 1204229592 /nfs/dbraw/zinc/22/95/92/1204229592.db2.gz GGHCONZXEJJYIW-KBPBESRZSA-N 0 3 306.425 3.400 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C(CC)(CC)c1ccccc1 ZINC001731284247 1204361506 /nfs/dbraw/zinc/36/15/06/1204361506.db2.gz IHPFDMDEVCLFSZ-UHFFFAOYSA-N 0 3 314.473 3.206 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001731288283 1204363259 /nfs/dbraw/zinc/36/32/59/1204363259.db2.gz COMSRUYJADDPID-KBPBESRZSA-N 0 3 310.825 3.313 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)n2cccc2)CC1 ZINC001731385047 1204390978 /nfs/dbraw/zinc/39/09/78/1204390978.db2.gz YLXOBRNIJMICOC-KRWDZBQOSA-N 0 3 317.477 3.328 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)CC(C)C)CC1 ZINC001731385637 1204392093 /nfs/dbraw/zinc/39/20/93/1204392093.db2.gz MWJROXNRWRCXEE-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001731389752 1204393982 /nfs/dbraw/zinc/39/39/82/1204393982.db2.gz BHHWKXAWYSLQHV-LRDDRELGSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001731424581 1204409121 /nfs/dbraw/zinc/40/91/21/1204409121.db2.gz JVIAWWZGAFOFKL-TVFCKZIOSA-N 0 3 315.461 3.079 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001731429624 1204410638 /nfs/dbraw/zinc/41/06/38/1204410638.db2.gz QYVBGAPNDZGXPT-ZACQAIPSSA-N 0 3 315.461 3.152 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H](NCc3cncs3)C2)CCCC1 ZINC001731461731 1204420751 /nfs/dbraw/zinc/42/07/51/1204420751.db2.gz WEBDTELGGZQFIH-HDJSIYSDSA-N 0 3 319.474 3.016 20 30 DGEDHN CCCCC(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001731494309 1204431135 /nfs/dbraw/zinc/43/11/35/1204431135.db2.gz FBSHJHVVSIWVTF-SFHVURJKSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001731507817 1204438314 /nfs/dbraw/zinc/43/83/14/1204438314.db2.gz GWYDUWHCESSLBZ-QZTJIDSGSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001731547062 1204455674 /nfs/dbraw/zinc/45/56/74/1204455674.db2.gz GNKAXOYAJIPQFH-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001731549651 1204456751 /nfs/dbraw/zinc/45/67/51/1204456751.db2.gz BHDFVSIAVCBZRR-DLBZAZTESA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001731555598 1204459644 /nfs/dbraw/zinc/45/96/44/1204459644.db2.gz UQFJYSHGXKEOTM-IRZHHCKBSA-N 0 3 310.869 3.149 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CC2(C)CCCCC2)C1 ZINC001731558151 1204460895 /nfs/dbraw/zinc/46/08/95/1204460895.db2.gz JHRHUBRVGSEWAR-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnoc2C)C1 ZINC001731560446 1204461690 /nfs/dbraw/zinc/46/16/90/1204461690.db2.gz UNSFYPRJTANRMF-GOEBONIOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001731688013 1204505448 /nfs/dbraw/zinc/50/54/48/1204505448.db2.gz LQTINTMVJGTUBA-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2coc3c2cccc3C)C1 ZINC001731712410 1204516651 /nfs/dbraw/zinc/51/66/51/1204516651.db2.gz GSLFEIJOFJDSRG-INIZCTEOSA-N 0 3 324.424 3.301 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@H](C)NCc1cccc(F)c1Cl ZINC001731726103 1204524941 /nfs/dbraw/zinc/52/49/41/1204524941.db2.gz SWCNTISEVOKZQV-ZDUSSCGKSA-N 0 3 324.827 3.123 20 30 DGEDHN CN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(C2CC2)cc1 ZINC001731768933 1204546589 /nfs/dbraw/zinc/54/65/89/1204546589.db2.gz DFJCOQOHKVHGCK-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001731781320 1204552734 /nfs/dbraw/zinc/55/27/34/1204552734.db2.gz QXQMDYCVOCMFDA-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN C=C[C@@H](C(=O)NCCN(C)CCc1ccccc1)c1ccccc1 ZINC001731795972 1204564661 /nfs/dbraw/zinc/56/46/61/1204564661.db2.gz MORKRQDXRVDZFK-HXUWFJFHSA-N 0 3 322.452 3.247 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc2ccncc21)C1CC1 ZINC001731884551 1204624220 /nfs/dbraw/zinc/62/42/20/1204624220.db2.gz STXUPELLDQMLSN-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1)C1CC1 ZINC001731885653 1204625315 /nfs/dbraw/zinc/62/53/15/1204625315.db2.gz UBRGIUGBULETJB-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001731967156 1204637856 /nfs/dbraw/zinc/63/78/56/1204637856.db2.gz SERJXQTUYZYSLY-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC(F)(F)C1 ZINC001732031841 1204655883 /nfs/dbraw/zinc/65/58/83/1204655883.db2.gz AWWRDFIHHLMSBA-GASCZTMLSA-N 0 3 312.404 3.063 20 30 DGEDHN C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001732035620 1204659443 /nfs/dbraw/zinc/65/94/43/1204659443.db2.gz XUJZGRKZNBUOST-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001732035620 1204659445 /nfs/dbraw/zinc/65/94/45/1204659445.db2.gz XUJZGRKZNBUOST-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2coc(CCC)n2)C1 ZINC001732040587 1204661144 /nfs/dbraw/zinc/66/11/44/1204661144.db2.gz GRNZNGISPIPNQP-OAHLLOKOSA-N 0 3 319.449 3.130 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001732048619 1204668312 /nfs/dbraw/zinc/66/83/12/1204668312.db2.gz IFAJDXLVWFQGIG-HXUWFJFHSA-N 0 3 324.468 3.223 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)c2ccco2)C1 ZINC001732078468 1204683635 /nfs/dbraw/zinc/68/36/35/1204683635.db2.gz SUXQRRVBEQXENV-HZPDHXFCSA-N 0 3 304.434 3.272 20 30 DGEDHN C=C[C@@H](CC(=O)NCC1CN(CC[C@H](C)F)C1)c1ccccc1 ZINC001732139229 1204710240 /nfs/dbraw/zinc/71/02/40/1204710240.db2.gz WRRDHCUXPYXOJI-RDJZCZTQSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(CC)c1 ZINC001732144156 1204711427 /nfs/dbraw/zinc/71/14/27/1204711427.db2.gz DPWGMKZRIZTFGU-OALUTQOASA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(CC=C)CCCCC2)C1 ZINC001732174199 1204729654 /nfs/dbraw/zinc/72/96/54/1204729654.db2.gz ACSHRKJCPJAVQV-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2cccc(F)c2F)C1 ZINC001732178418 1204733645 /nfs/dbraw/zinc/73/36/45/1204733645.db2.gz ZVJAIFOWVWXZRW-HNNXBMFYSA-N 0 3 322.399 3.006 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001732195479 1204744021 /nfs/dbraw/zinc/74/40/21/1204744021.db2.gz QSWWOVNDKSMPFB-CJNGLKHVSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)NCc1c(C)cccc1Cl ZINC001732197642 1204745993 /nfs/dbraw/zinc/74/59/93/1204745993.db2.gz LATXDQWTLRMZFJ-HNNXBMFYSA-N 0 3 320.864 3.436 20 30 DGEDHN CC[C@H](CNC(=O)[C@@]1(C)CC=CCC1)NCC#Cc1ccccc1 ZINC001732200752 1204746729 /nfs/dbraw/zinc/74/67/29/1204746729.db2.gz RLTZTTIQADIVQA-CTNGQTDRSA-N 0 3 324.468 3.269 20 30 DGEDHN CC[C@H](CNC(=O)C1CC2(CCC2)C1)NCC#Cc1ccccc1 ZINC001732212171 1204752465 /nfs/dbraw/zinc/75/24/65/1204752465.db2.gz VBLFQDBXXADPQK-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(F)s2)CCCC1 ZINC001732237431 1204765387 /nfs/dbraw/zinc/76/53/87/1204765387.db2.gz OYLMJWAVCAGFBS-UHFFFAOYSA-N 0 3 316.829 3.272 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001732394072 1204817588 /nfs/dbraw/zinc/81/75/88/1204817588.db2.gz DOKWDPNCACYHPM-UHFFFAOYSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001732420914 1204832765 /nfs/dbraw/zinc/83/27/65/1204832765.db2.gz WSDIOWHLPRVLHI-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001732436066 1204839383 /nfs/dbraw/zinc/83/93/83/1204839383.db2.gz LBYCNQPCRWCMME-YLJYHZDGSA-N 0 3 312.457 3.077 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001732445986 1204845401 /nfs/dbraw/zinc/84/54/01/1204845401.db2.gz KGOWSVWUFSUAGU-UONOGXRCSA-N 0 3 321.490 3.383 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H]1CC12CCCC2 ZINC001732448347 1204846492 /nfs/dbraw/zinc/84/64/92/1204846492.db2.gz HJFVENBIWUZOEC-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cscn2)C1 ZINC001732526977 1204882151 /nfs/dbraw/zinc/88/21/51/1204882151.db2.gz VRONMCCDPJYJIV-HUUCEWRRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cscc1Cl)C(C)C ZINC001732557298 1204895563 /nfs/dbraw/zinc/89/55/63/1204895563.db2.gz KOKLVGJMBYGHFA-GFCCVEGCSA-N 0 3 321.273 3.498 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccnc(C2CC2)c1)C(C)C ZINC001732559586 1204896562 /nfs/dbraw/zinc/89/65/62/1204896562.db2.gz BRKZAVUIJSGCOB-INIZCTEOSA-N 0 3 321.852 3.056 20 30 DGEDHN C=CCCCC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001732564542 1204899123 /nfs/dbraw/zinc/89/91/23/1204899123.db2.gz GYSYUMHFYNXKQC-IBGZPJMESA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccccc1C1CC1 ZINC001732577119 1204904665 /nfs/dbraw/zinc/90/46/65/1204904665.db2.gz XMSXMEURXHTLAA-UHFFFAOYSA-N 0 3 300.446 3.420 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c(o1)c(F)ccc2C ZINC001732587416 1204910124 /nfs/dbraw/zinc/91/01/24/1204910124.db2.gz FMUNHHCQJRGLRI-UHFFFAOYSA-N 0 3 318.392 3.460 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1coc2cc(C)c(C)cc21 ZINC001732588042 1204911477 /nfs/dbraw/zinc/91/14/77/1204911477.db2.gz JLVGPMAHQMTYOH-UHFFFAOYSA-N 0 3 312.413 3.077 20 30 DGEDHN CCCCC(=O)N1CC[C@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001732600736 1204918955 /nfs/dbraw/zinc/91/89/55/1204918955.db2.gz SOGKKKOLPHIMSN-UXHICEINSA-N 0 3 324.468 3.151 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(C)CCC(F)(F)CC1 ZINC001732706827 1204931664 /nfs/dbraw/zinc/93/16/64/1204931664.db2.gz UKCXTAVMSPDJPX-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCCCC1(C)C ZINC001732759071 1204939212 /nfs/dbraw/zinc/93/92/12/1204939212.db2.gz JGBORXDDSDDLTE-KGLIPLIRSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCC1(C(=O)N[C@@H](C)CCNCC(=C)Cl)CCCCC1 ZINC001732761098 1204940152 /nfs/dbraw/zinc/94/01/52/1204940152.db2.gz YODDQJOIPLHTSE-HNNXBMFYSA-N 0 3 310.869 3.197 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CC)CCNCc1ccc(C)nc1C ZINC001732798565 1204945980 /nfs/dbraw/zinc/94/59/80/1204945980.db2.gz QOTAZQYDQFWMNE-UHFFFAOYSA-N 0 3 317.477 3.239 20 30 DGEDHN C[C@@H](NC/C=C\CNC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC001732850533 1204951811 /nfs/dbraw/zinc/95/18/11/1204951811.db2.gz WIXQHFSVUFOLTA-IYKSTZQJSA-N 0 3 316.420 3.198 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC1(C)C ZINC001732970146 1204968924 /nfs/dbraw/zinc/96/89/24/1204968924.db2.gz VEYIJSCSBOIOEJ-DOMZBBRYSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001732971101 1204969439 /nfs/dbraw/zinc/96/94/39/1204969439.db2.gz XLJHSPLYLUCLSP-SJKOYZFVSA-N 0 3 310.388 3.161 20 30 DGEDHN CC[C@@H](NC[C@H](C)NC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001732995371 1204976437 /nfs/dbraw/zinc/97/64/37/1204976437.db2.gz YXDPGQHQOSEKHQ-SUMWQHHRSA-N 0 3 322.399 3.170 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001732994983 1204976555 /nfs/dbraw/zinc/97/65/55/1204976555.db2.gz MUMVIOSKLUPHPF-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733031042 1204988702 /nfs/dbraw/zinc/98/87/02/1204988702.db2.gz QVLLGXOGHUONQF-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)CN(C)Cc2cccc(C#N)c2)CC1 ZINC001733056845 1205008810 /nfs/dbraw/zinc/00/88/10/1205008810.db2.gz WKZSNUMKUZWZBG-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001733068831 1205016278 /nfs/dbraw/zinc/01/62/78/1205016278.db2.gz SNJCUUSFJKKHNB-RDJZCZTQSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCCNCc2nc(C)cs2)CC1 ZINC001733124366 1205027104 /nfs/dbraw/zinc/02/71/04/1205027104.db2.gz PQCQFDAOTLHONX-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCC(=O)N[C@@H](CN[C@@H](C)c1ccccc1F)C1CC1 ZINC001733166371 1205032161 /nfs/dbraw/zinc/03/21/61/1205032161.db2.gz ORTFKYASHACKPF-GUYCJALGSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001733226088 1205054893 /nfs/dbraw/zinc/05/48/93/1205054893.db2.gz DZKJVWBIKGEJKW-INIZCTEOSA-N 0 3 303.450 3.182 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001733229239 1205058419 /nfs/dbraw/zinc/05/84/19/1205058419.db2.gz VVFNQKUULYWCSZ-YOEHRIQHSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001733237974 1205064360 /nfs/dbraw/zinc/06/43/60/1205064360.db2.gz RDNGDFWZSRNSRP-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001733243780 1205067249 /nfs/dbraw/zinc/06/72/49/1205067249.db2.gz STCKDAZVRQWRJT-UHFFFAOYSA-N 0 3 318.848 3.128 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cccc(OC)c2)CC1 ZINC001733252059 1205069071 /nfs/dbraw/zinc/06/90/71/1205069071.db2.gz XFRRCJDHPBGSOY-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=CCCCC(=O)N1CC[C@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001733289827 1205083918 /nfs/dbraw/zinc/08/39/18/1205083918.db2.gz UVHSXRCAWURXFT-FUHWJXTLSA-N 0 3 310.457 3.405 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001733296039 1205085606 /nfs/dbraw/zinc/08/56/06/1205085606.db2.gz CMWGZCAMIRXNNO-VQIMIIECSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H]2CNC[C@@H](F)CC)CCCCC1 ZINC001733354287 1205103282 /nfs/dbraw/zinc/10/32/82/1205103282.db2.gz IVELNBVDYREIMY-IRXDYDNUSA-N 0 3 322.468 3.289 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@H](F)C1)C1CCN(CC=C(C)C)CC1 ZINC001733372543 1205107661 /nfs/dbraw/zinc/10/76/61/1205107661.db2.gz QSQKQQRBWGSNBT-SJORKVTESA-N 0 3 320.452 3.017 20 30 DGEDHN CC#CCNC[C@@H](NC(=O)C1CCC1)c1ccc2ccccc2c1 ZINC001733375629 1205108472 /nfs/dbraw/zinc/10/84/72/1205108472.db2.gz SQLBANOQJMZUPP-HXUWFJFHSA-N 0 3 320.436 3.410 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C(C)(C)C)c1ccc2ccccc2c1 ZINC001733374670 1205108581 /nfs/dbraw/zinc/10/85/81/1205108581.db2.gz KBWQZPWYGGSUNM-GOSISDBHSA-N 0 3 308.425 3.266 20 30 DGEDHN C#CCN(C(=O)c1ccc(C2CC2)cc1)C1CCN(CC=C)CC1 ZINC001733375223 1205108618 /nfs/dbraw/zinc/10/86/18/1205108618.db2.gz LCMXRZVASOWISB-UHFFFAOYSA-N 0 3 322.452 3.290 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001733402441 1205119649 /nfs/dbraw/zinc/11/96/49/1205119649.db2.gz QGWWYKWGJCQGEK-OAQYLSRUSA-N 0 3 324.468 3.448 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2cccc(CC)c2)C1 ZINC001733403882 1205119692 /nfs/dbraw/zinc/11/96/92/1205119692.db2.gz XEBQZGVVHYVKSP-FQEVSTJZSA-N 0 3 312.457 3.133 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001733412251 1205123666 /nfs/dbraw/zinc/12/36/66/1205123666.db2.gz KXYKNICCGNEYRW-WMZOPIPTSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001733414131 1205125176 /nfs/dbraw/zinc/12/51/76/1205125176.db2.gz YICJSSFMDUFKTE-LJQANCHMSA-N 0 3 300.446 3.003 20 30 DGEDHN 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C=C(C)C(C)(C)C(=O)N(C)[C@H](CNCc1cncs1)C1CC1 ZINC001734303486 1205359923 /nfs/dbraw/zinc/35/99/23/1205359923.db2.gz VJHOGYQLXUMVSL-OAHLLOKOSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)C/C=C\Cc2ccccc2)[C@@H]1C ZINC001734460413 1205381812 /nfs/dbraw/zinc/38/18/12/1205381812.db2.gz PSNOHNCEOHVRNH-ZYLKZGKVSA-N 0 3 312.457 3.331 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCOCC(C)C)[C@H]1C ZINC001734460853 1205381858 /nfs/dbraw/zinc/38/18/58/1205381858.db2.gz QDEDZOVOEVVICR-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2scnc2C)C(C)(C)C1 ZINC001734501111 1205387867 /nfs/dbraw/zinc/38/78/67/1205387867.db2.gz OLGANMZHEKPKTQ-OAHLLOKOSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cscc1Cl)C(C)C ZINC001734550674 1205391122 /nfs/dbraw/zinc/39/11/22/1205391122.db2.gz DRSYCZCEZMICMV-UHFFFAOYSA-N 0 3 300.855 3.370 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001734587091 1205401552 /nfs/dbraw/zinc/40/15/52/1205401552.db2.gz 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C/C=C(/C)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001170069028 1081988972 /nfs/dbraw/zinc/98/89/72/1081988972.db2.gz TZKSPVAUYXUCNK-KUJWUYCRSA-N 0 3 313.445 3.289 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001170069035 1081989109 /nfs/dbraw/zinc/98/91/09/1081989109.db2.gz TZKSPVAUYXUCNK-UDCCBSLUSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001086558478 1082002499 /nfs/dbraw/zinc/00/24/99/1082002499.db2.gz SRMFIVJYMLAUGN-JREQNMATSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001086560897 1082011050 /nfs/dbraw/zinc/01/10/50/1082011050.db2.gz BARJLZWVOHIPQV-KKUMJFAQSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2c(s1)CCCC2 ZINC001266577322 1082020243 /nfs/dbraw/zinc/02/02/43/1082020243.db2.gz GNJPTWKQECAOBU-UHFFFAOYSA-N 0 3 318.486 3.092 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001112885612 1082035656 /nfs/dbraw/zinc/03/56/56/1082035656.db2.gz HVRYPJHZPSXOMW-QRQLOZEOSA-N 0 3 316.489 3.335 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)c(C)o1)C2 ZINC001204531433 1082039428 /nfs/dbraw/zinc/03/94/28/1082039428.db2.gz NYTYOXXZNQJRTN-ZWKOTPCHSA-N 0 3 305.418 3.223 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2c(C)cccc2C)CC1 ZINC001112895987 1082041072 /nfs/dbraw/zinc/04/10/72/1082041072.db2.gz AAODIPLRTZTWSD-SFHVURJKSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCN(CCNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)C1CC1 ZINC001266604975 1082055095 /nfs/dbraw/zinc/05/50/95/1082055095.db2.gz XAWZDOMTTGAKTN-ROUUACIJSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCC2CCOCC2)CC1 ZINC001112932147 1082055068 /nfs/dbraw/zinc/05/50/68/1082055068.db2.gz UHGIXANVECBTFN-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001266609720 1082064038 /nfs/dbraw/zinc/06/40/38/1082064038.db2.gz VSALDZPEHABIIJ-IBGZPJMESA-N 0 3 300.446 3.370 20 30 DGEDHN C#CCC1(C(=O)N2CCN(CC3CCCCCC3)CC2)CCC1 ZINC001112953340 1082065306 /nfs/dbraw/zinc/06/53/06/1082065306.db2.gz RUAIVNYXNFBVPX-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 ZINC001266613854 1082072672 /nfs/dbraw/zinc/07/26/72/1082072672.db2.gz ISUCMTMHIKYZMS-DLBZAZTESA-N 0 3 318.848 3.210 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001086581477 1082132468 /nfs/dbraw/zinc/13/24/68/1082132468.db2.gz AKTYNJJUYYJJSE-PXTPFGJHSA-N 0 3 324.468 3.193 20 30 DGEDHN C#CCCCCCC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113204985 1082138832 /nfs/dbraw/zinc/13/88/32/1082138832.db2.gz FWFMDSGODILWOQ-CEXWTWQISA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001086583781 1082145536 /nfs/dbraw/zinc/14/55/36/1082145536.db2.gz HKWVWDKLDZJEAT-OKZBNKHCSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001266708198 1082159844 /nfs/dbraw/zinc/15/98/44/1082159844.db2.gz OPBJUVNAFLGMCK-UTUOFQBUSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001113287737 1082170365 /nfs/dbraw/zinc/17/03/65/1082170365.db2.gz VTJYXGWUSJHPJC-GOSISDBHSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC001113368346 1082184839 /nfs/dbraw/zinc/18/48/39/1082184839.db2.gz JPILQHBGYQJAJB-HNNXBMFYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccsc2C)CC1 ZINC001113404021 1082199370 /nfs/dbraw/zinc/19/93/70/1082199370.db2.gz XNZQJVZQMSXLJH-AWEZNQCLSA-N 0 3 306.475 3.098 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CCC2CCCCC2)C1 ZINC001266765882 1082202925 /nfs/dbraw/zinc/20/29/25/1082202925.db2.gz ALVSVOBZSPXAJW-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001266776387 1082210418 /nfs/dbraw/zinc/21/04/18/1082210418.db2.gz ZTYFNGRXBFIZGF-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCc1cccs1 ZINC001114988412 1082216168 /nfs/dbraw/zinc/21/61/68/1082216168.db2.gz FCSULEPGEXJQTP-VQFNDLOPSA-N 0 3 318.486 3.083 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC001113546654 1082244659 /nfs/dbraw/zinc/24/46/59/1082244659.db2.gz DMWXMEWVKCVPHX-HZPDHXFCSA-N 0 3 304.434 3.272 20 30 DGEDHN CC(C)CCCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001266843509 1082259718 /nfs/dbraw/zinc/25/97/18/1082259718.db2.gz UCCUMXNZAGBPGD-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001266856148 1082270849 /nfs/dbraw/zinc/27/08/49/1082270849.db2.gz KGZNUGCZUHIPTD-HZPDHXFCSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001086604397 1082279534 /nfs/dbraw/zinc/27/95/34/1082279534.db2.gz AWEUCBWPUVXPIR-RBUKOAKNSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1ncccc1C ZINC001266875906 1082294633 /nfs/dbraw/zinc/29/46/33/1082294633.db2.gz CCLKEIHDTDPCPN-QGZVFWFLSA-N 0 3 315.461 3.217 20 30 DGEDHN CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001113867707 1082378962 /nfs/dbraw/zinc/37/89/62/1082378962.db2.gz ODJGLLFVFVPFDS-VQFNDLOPSA-N 0 3 316.445 3.023 20 30 DGEDHN CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001113867707 1082378965 /nfs/dbraw/zinc/37/89/65/1082378965.db2.gz ODJGLLFVFVPFDS-VQFNDLOPSA-N 0 3 316.445 3.023 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001086612643 1082401562 /nfs/dbraw/zinc/40/15/62/1082401562.db2.gz ASBYQDJADIOTJN-GBESFXJTSA-N 0 3 324.468 3.337 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)(C)CC)[C@H](OC)C1 ZINC001213361200 1082435986 /nfs/dbraw/zinc/43/59/86/1082435986.db2.gz FQSBEBJTGRKDMZ-HZPDHXFCSA-N 0 3 312.498 3.208 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(Cl)c2F)C1 ZINC001267110563 1082527742 /nfs/dbraw/zinc/52/77/42/1082527742.db2.gz FOLJINDTGAHRQF-ZDUSSCGKSA-N 0 3 322.811 3.039 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC001267113596 1082531979 /nfs/dbraw/zinc/53/19/79/1082531979.db2.gz OGNGHFHOMVWFFY-IBGZPJMESA-N 0 3 312.457 3.370 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001267117171 1082535278 /nfs/dbraw/zinc/53/52/78/1082535278.db2.gz QBENAEFDDXTERP-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1cccc(F)c1F ZINC001267131758 1082548965 /nfs/dbraw/zinc/54/89/65/1082548965.db2.gz STSMTPUDLSXLTE-ZDUSSCGKSA-N 0 3 310.388 3.306 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@H](C)CNCc1ccc(F)c(F)c1 ZINC001496138964 1082587078 /nfs/dbraw/zinc/58/70/78/1082587078.db2.gz MWORYRHHMZRKPY-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CCc1ccoc1 ZINC001267165827 1082588972 /nfs/dbraw/zinc/58/89/72/1082588972.db2.gz PNZRBNUAUCRRQZ-INIZCTEOSA-N 0 3 324.852 3.326 20 30 DGEDHN C=C(C)CCC(=O)N1CCC([C@@H](C)NCc2cc(C)no2)CC1 ZINC001267184861 1082609828 /nfs/dbraw/zinc/60/98/28/1082609828.db2.gz FJNVFIZPGGAJRW-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN CN(CCc1c(Cl)ncnc1Cl)Cc1cccc(C#N)c1 ZINC001207332210 1082611868 /nfs/dbraw/zinc/61/18/68/1082611868.db2.gz JVCGVVKDKGWZDS-UHFFFAOYSA-N 0 3 321.211 3.330 20 30 DGEDHN CN(C)/C=N/c1ccc(NCc2ccccc2C#N)cc1C#N ZINC001167634101 1082628274 /nfs/dbraw/zinc/62/82/74/1082628274.db2.gz RQIRTPKJSSZYGO-LPYMAVHISA-N 0 3 303.369 3.263 20 30 DGEDHN CC(C)CC1(C(=O)NCCNCc2ccc(C#N)s2)CCC1 ZINC001131142045 1082647184 /nfs/dbraw/zinc/64/71/84/1082647184.db2.gz RRVCGNUIACINMJ-UHFFFAOYSA-N 0 3 319.474 3.042 20 30 DGEDHN C#CCCN(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001267223490 1082658254 /nfs/dbraw/zinc/65/82/54/1082658254.db2.gz JBCVSEXYDGFRJK-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1C ZINC001104464421 1082697286 /nfs/dbraw/zinc/69/72/86/1082697286.db2.gz CEHCLARFZXJRHY-UKRRQHHQSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC=C(C)C)C2)C1 ZINC001131677370 1082705095 /nfs/dbraw/zinc/70/50/95/1082705095.db2.gz MAZBOHTWCFEYCQ-HKUYNNGSSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CCC2CCCC2)CC[C@@H]1C ZINC001131764201 1082725721 /nfs/dbraw/zinc/72/57/21/1082725721.db2.gz DNEAAUXZKPVHSG-FUHWJXTLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001131824400 1082736039 /nfs/dbraw/zinc/73/60/39/1082736039.db2.gz BDPZFOMUSIAQJW-TZMCWYRMSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001267277411 1082739937 /nfs/dbraw/zinc/73/99/37/1082739937.db2.gz XTLMJECCGFJYLO-CEXWTWQISA-N 0 3 312.457 3.022 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001132068797 1082807400 /nfs/dbraw/zinc/80/74/00/1082807400.db2.gz JSCPRSWGVGSAIC-HUUCEWRRSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C1CC1 ZINC001267335359 1082812401 /nfs/dbraw/zinc/81/24/01/1082812401.db2.gz RPSLNKJHMBYMSK-RBUKOAKNSA-N 0 3 312.457 3.255 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c[nH]cc1-c1ccccc1)C1CC1 ZINC001267338277 1082815738 /nfs/dbraw/zinc/81/57/38/1082815738.db2.gz SVNYEIYATPUNGP-UHFFFAOYSA-N 0 3 323.440 3.452 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@]1(C)CC=CCC1)c1ccccc1 ZINC001267362753 1082834488 /nfs/dbraw/zinc/83/44/88/1082834488.db2.gz VNJXWFHSVOPDMG-UYAOXDASSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cnco2)CC[C@H]1C ZINC001132204847 1082842070 /nfs/dbraw/zinc/84/20/70/1082842070.db2.gz ZQACICYXIHZODR-HUUCEWRRSA-N 0 3 305.422 3.004 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2cnco2)CC[C@H]1C ZINC001132206618 1082843994 /nfs/dbraw/zinc/84/39/94/1082843994.db2.gz MCIYVEFGWHGXAJ-CABCVRRESA-N 0 3 307.438 3.228 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC001267382754 1082856012 /nfs/dbraw/zinc/85/60/12/1082856012.db2.gz SYPZDHWBSOIFQP-LJQANCHMSA-N 0 3 319.408 3.415 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)N(CCOC(C)C)C2)CC1 ZINC001132293133 1082874968 /nfs/dbraw/zinc/87/49/68/1082874968.db2.gz ZHUGHRMAHNJWOC-SJLPKXTDSA-N 0 3 322.493 3.127 20 30 DGEDHN C#Cc1ccccc1CC(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001480940448 1082880650 /nfs/dbraw/zinc/88/06/50/1082880650.db2.gz HGPLOJJKXWTUMV-QGZVFWFLSA-N 0 3 320.436 3.020 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132330043 1082882327 /nfs/dbraw/zinc/88/23/27/1082882327.db2.gz AGPGQXQSPGRWEJ-DLBZAZTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(F)cc2F)CC[C@@H]1C ZINC001132392258 1082897061 /nfs/dbraw/zinc/89/70/61/1082897061.db2.gz HKVCBEVOGYFKLQ-XJKSGUPXSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416607 1082906480 /nfs/dbraw/zinc/90/64/80/1082906480.db2.gz IHNOXWKLCMNEOI-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C3CCCCC3)C(C)(C)[C@H]21 ZINC001087267678 1082911383 /nfs/dbraw/zinc/91/13/83/1082911383.db2.gz FPCZALZFSOFNAG-SQNIBIBYSA-N 0 3 316.489 3.195 20 30 DGEDHN CCCCCCCCCC(=O)N[C@H]1CC[C@H](C)N(CCO)C1 ZINC001132442265 1082911942 /nfs/dbraw/zinc/91/19/42/1082911942.db2.gz YELWIFRBHHNSGM-IRXDYDNUSA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132445001 1082913514 /nfs/dbraw/zinc/91/35/14/1082913514.db2.gz JUKAJKJMTACSHK-VXGBXAGGSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccccc2Cl)CC[C@@H]1C ZINC001132467400 1082919588 /nfs/dbraw/zinc/91/95/88/1082919588.db2.gz DSVOVIRVEIVDQR-HOCLYGCPSA-N 0 3 320.864 3.428 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1=CCCCC1 ZINC001087276638 1082926673 /nfs/dbraw/zinc/92/66/73/1082926673.db2.gz AVMPBUZGFCYTEX-NZSAHSFTSA-N 0 3 314.473 3.115 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(C)o2)CC[C@@H]1C ZINC001132513163 1082932504 /nfs/dbraw/zinc/93/25/04/1082932504.db2.gz PHFRCFIKWASMMD-GOEBONIOSA-N 0 3 304.434 3.066 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCCF)C2)CCCCC1 ZINC001132528304 1082935059 /nfs/dbraw/zinc/93/50/59/1082935059.db2.gz BKHSEVRZSKSRMJ-DLBZAZTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132530614 1082935500 /nfs/dbraw/zinc/93/55/00/1082935500.db2.gz ZRPBHWNEYCUFOQ-DLBZAZTESA-N 0 3 310.482 3.129 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001267481039 1082935760 /nfs/dbraw/zinc/93/57/60/1082935760.db2.gz DVMWGXWUAMSTAH-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCN1CC[C@H](N(CCC)C(=O)c2nccs2)C1 ZINC001267487675 1082945151 /nfs/dbraw/zinc/94/51/51/1082945151.db2.gz FQOFKRGGZJYVFB-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001267496048 1082953567 /nfs/dbraw/zinc/95/35/67/1082953567.db2.gz KVSKJQXHKCKNRN-GMNCBBECSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132653173 1082967690 /nfs/dbraw/zinc/96/76/90/1082967690.db2.gz GQIDHGOZESOXBD-LBPRGKRZSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2sccc2F)C1 ZINC001086689626 1082967740 /nfs/dbraw/zinc/96/77/40/1082967740.db2.gz ZOFDVLSTNBKCJX-WDEREUQCSA-N 0 3 316.829 3.128 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)F)c1ccc(C(C)C)cc1 ZINC001267512763 1082971040 /nfs/dbraw/zinc/97/10/40/1082971040.db2.gz UWEGQGCXKJWWDW-INIZCTEOSA-N 0 3 306.425 3.491 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC3CC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302240 1082972438 /nfs/dbraw/zinc/97/24/38/1082972438.db2.gz PNBVKEUOHLBMOT-NJAFHUGGSA-N 0 3 316.489 3.051 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1cc2ccccc2o1 ZINC001132667023 1082975223 /nfs/dbraw/zinc/97/52/23/1082975223.db2.gz BFPFDQLFRDWKKK-CQSZACIVSA-N 0 3 300.402 3.241 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132667887 1082975995 /nfs/dbraw/zinc/97/59/95/1082975995.db2.gz VTHKTZQPYBKBBG-LBPRGKRZSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)Cc1ccco1)c1ccccc1 ZINC001267522932 1082983581 /nfs/dbraw/zinc/98/35/81/1082983581.db2.gz NFTJMJHSRBLZEQ-QAPCUYQASA-N 0 3 312.413 3.091 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(C)ccc3C)C(C)(C)[C@H]21 ZINC001087315044 1082986990 /nfs/dbraw/zinc/98/69/90/1082986990.db2.gz VPEJFZIRSNAWDB-NEWSRXKRSA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC001267526815 1082989441 /nfs/dbraw/zinc/98/94/41/1082989441.db2.gz XTRZWLUPWYAFIV-SFHVURJKSA-N 0 3 312.388 3.001 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1 ZINC001267529852 1082992146 /nfs/dbraw/zinc/99/21/46/1082992146.db2.gz TXHUBJINHWRHID-BGYRXZFFSA-N 0 3 324.468 3.098 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccc(C)o2)C1 ZINC001267539370 1083004333 /nfs/dbraw/zinc/00/43/33/1083004333.db2.gz GHSXYQMWKZHMAY-INIZCTEOSA-N 0 3 304.434 3.020 20 30 DGEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001140820002 1083079407 /nfs/dbraw/zinc/07/94/07/1083079407.db2.gz SRGAOVHCKDUVNK-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(CC#N)cn1 ZINC001170678945 1083096225 /nfs/dbraw/zinc/09/62/25/1083096225.db2.gz KEXSPIQOLGIHKY-ZDUSSCGKSA-N 0 3 303.369 3.020 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCCC#CC)C[C@H]1C ZINC001104552589 1083101970 /nfs/dbraw/zinc/10/19/70/1083101970.db2.gz KTRZVAYLKFIPLZ-GDBMZVCRSA-N 0 3 310.869 3.007 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1C ZINC001104556786 1083106811 /nfs/dbraw/zinc/10/68/11/1083106811.db2.gz WIHASKWRKDQXIS-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccccc1OC(C)C ZINC001133378564 1083109230 /nfs/dbraw/zinc/10/92/30/1083109230.db2.gz GZRMPWACEQHHEC-LJQANCHMSA-N 0 3 318.461 3.282 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)/C=C(\C)CC ZINC001133398064 1083112929 /nfs/dbraw/zinc/11/29/29/1083112929.db2.gz BLDHETSFJFKRHF-NTCAYCPXSA-N 0 3 318.848 3.248 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104561942 1083113240 /nfs/dbraw/zinc/11/32/40/1083113240.db2.gz BZZMPULCVCIONJ-VNQPRFMTSA-N 0 3 312.885 3.415 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCC1CC1 ZINC001133388809 1083113841 /nfs/dbraw/zinc/11/38/41/1083113841.db2.gz MQFXROJPDKEYJE-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133540544 1083146250 /nfs/dbraw/zinc/14/62/50/1083146250.db2.gz NABYSWNTCVWJEC-UONOGXRCSA-N 0 3 319.424 3.116 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001481071423 1083148874 /nfs/dbraw/zinc/14/88/74/1083148874.db2.gz NLAJORWEBJMIOW-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001133884460 1083206059 /nfs/dbraw/zinc/20/60/59/1083206059.db2.gz PTQCOTLFPLXXLT-NWDGAFQWSA-N 0 3 309.479 3.099 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001133888816 1083207723 /nfs/dbraw/zinc/20/77/23/1083207723.db2.gz NADYVFCKXSLDFM-STQMWFEESA-N 0 3 309.841 3.074 20 30 DGEDHN CC(C)c1ccccc1CN1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001267623397 1083225335 /nfs/dbraw/zinc/22/53/35/1083225335.db2.gz NXQYEHDUAKRDQK-RDJZCZTQSA-N 0 3 313.445 3.050 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1csc2c1CCCC2)C1CC1 ZINC001481197465 1083239095 /nfs/dbraw/zinc/23/90/95/1083239095.db2.gz FSNNJCMUAYFBIO-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001267683775 1083262262 /nfs/dbraw/zinc/26/22/62/1083262262.db2.gz OYYAYSUTUBZCNB-SFHVURJKSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001267693323 1083268477 /nfs/dbraw/zinc/26/84/77/1083268477.db2.gz APPWGIIMBRAYND-GOSISDBHSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211650639 1083272397 /nfs/dbraw/zinc/27/23/97/1083272397.db2.gz QLXOHWVXPSYAQX-PAIZGLMTSA-N 0 3 322.452 3.116 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001134410597 1083285267 /nfs/dbraw/zinc/28/52/67/1083285267.db2.gz ZIQLVKKRDMEGOI-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001134470390 1083296013 /nfs/dbraw/zinc/29/60/13/1083296013.db2.gz PSAUVUXDBXIYLZ-OLZOCXBDSA-N 0 3 323.506 3.489 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001267749015 1083316064 /nfs/dbraw/zinc/31/60/64/1083316064.db2.gz CGXGIVGIMMJWRD-ZIAGYGMSSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001267758243 1083323981 /nfs/dbraw/zinc/32/39/81/1083323981.db2.gz JLUPLZODVAKBHD-INIZCTEOSA-N 0 3 306.475 3.364 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001267767873 1083331095 /nfs/dbraw/zinc/33/10/95/1083331095.db2.gz LRKSKTPTZJGCET-LJQANCHMSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCCc2ccccc2)C1 ZINC001267771112 1083334357 /nfs/dbraw/zinc/33/43/57/1083334357.db2.gz ZCLYYPDCIBNWOW-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(CC)(CC)CC)C1 ZINC001100793752 1083336502 /nfs/dbraw/zinc/33/65/02/1083336502.db2.gz XXFQFHDGFHJGKK-UHFFFAOYSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C[C@@H](C)OC)C2)CCCCC1 ZINC001267777288 1083340545 /nfs/dbraw/zinc/34/05/45/1083340545.db2.gz MMHTYNRILDFBMU-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001267781501 1083343824 /nfs/dbraw/zinc/34/38/24/1083343824.db2.gz JAHBQJHMQFLFLF-QGZVFWFLSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001267790631 1083349133 /nfs/dbraw/zinc/34/91/33/1083349133.db2.gz OJSDACNAZJXOKH-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C[C@@H](NCc1cccc(F)c1C#N)[C@H](c1ccccc1)N(C)C ZINC001181055141 1083393695 /nfs/dbraw/zinc/39/36/95/1083393695.db2.gz JLRLGQNVUJTMOP-AUUYWEPGSA-N 0 3 311.404 3.478 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C[C@@H](C)CCC)CC1 ZINC001151013930 1083409561 /nfs/dbraw/zinc/40/95/61/1083409561.db2.gz BSXDZFHCYZPNDE-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001267864779 1083474088 /nfs/dbraw/zinc/47/40/88/1083474088.db2.gz LANCXOJHVUHJEK-CQSZACIVSA-N 0 3 316.829 3.128 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2ocnc2C)CCCC[C@H]1C ZINC001267869945 1083489468 /nfs/dbraw/zinc/48/94/68/1083489468.db2.gz YIZOXTOHIBVJJT-RDTXWAMCSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)c2ccco2)CC1 ZINC001167747849 1083581571 /nfs/dbraw/zinc/58/15/71/1083581571.db2.gz AJNJDXHXUZUHMM-CYBMUJFWSA-N 0 3 324.852 3.402 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211657978 1083676793 /nfs/dbraw/zinc/67/67/93/1083676793.db2.gz WSIYRIZLXOUBLU-YZGWKJHDSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2nc(C)cs2)CCC1 ZINC001268001630 1083723733 /nfs/dbraw/zinc/72/37/33/1083723733.db2.gz GMTNGNNUURUIPX-CYBMUJFWSA-N 0 3 321.490 3.040 20 30 DGEDHN C=C(C)CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)F)C1 ZINC001087418276 1083776808 /nfs/dbraw/zinc/77/68/08/1083776808.db2.gz AGINXVJZUDSVFC-HZPDHXFCSA-N 0 3 322.399 3.192 20 30 DGEDHN C=CCCCC(=O)N1CCC([C@@H](C)NCc2nccs2)CC1 ZINC001481337686 1083785943 /nfs/dbraw/zinc/78/59/43/1083785943.db2.gz VXZSXBYMBXYJEA-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN CCC(=O)NCCCN(CC#Cc1ccccc1Cl)C(C)C ZINC001481346354 1083796674 /nfs/dbraw/zinc/79/66/74/1083796674.db2.gz YBOHZSPVYWQLCC-UHFFFAOYSA-N 0 3 320.864 3.318 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001182894500 1083833305 /nfs/dbraw/zinc/83/33/05/1083833305.db2.gz YUZSBDKLRMQCSW-MRXNPFEDSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001182897554 1083834948 /nfs/dbraw/zinc/83/49/48/1083834948.db2.gz AZXDHFZJQATMKJ-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H](N(CCC)C(=O)C(=O)C(C)(C)C)C1 ZINC001481396283 1083859374 /nfs/dbraw/zinc/85/93/74/1083859374.db2.gz KFRRSAQTDMGWMN-CVEARBPZSA-N 0 3 322.493 3.269 20 30 DGEDHN C[C@@H](C(=O)NCC1(NCC#Cc2ccccc2)CCCC1)C1CC1 ZINC001268031404 1083900753 /nfs/dbraw/zinc/90/07/53/1083900753.db2.gz AEMXZTRBAPIMHF-QGZVFWFLSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001268056080 1084052631 /nfs/dbraw/zinc/05/26/31/1084052631.db2.gz ZUIVXIMYKAIOFY-PXAZEXFGSA-N 0 3 322.399 3.355 20 30 DGEDHN C=CCOC(=O)N1CCC2(CCCN(Cc3ccco3)C2)CC1 ZINC001203270467 1084098765 /nfs/dbraw/zinc/09/87/65/1084098765.db2.gz FBFJKPJYBHTYQO-UHFFFAOYSA-N 0 3 318.417 3.280 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001184078204 1084101044 /nfs/dbraw/zinc/10/10/44/1084101044.db2.gz MWQYUCDUHRQNGD-HPMVNELHSA-N 0 3 319.276 3.346 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](CNC[C@@H](F)CC)CC(C)C)cc1 ZINC001268110696 1084182710 /nfs/dbraw/zinc/18/27/10/1084182710.db2.gz VWUAJXFMPROKEL-ZWKOTPCHSA-N 0 3 318.436 3.150 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCCN(CC[C@@H](C)F)C2)CCCCC1 ZINC001268153082 1084243496 /nfs/dbraw/zinc/24/34/96/1084243496.db2.gz HPDSTGUAUCYJTC-IAGOWNOFSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]([C@H](C)NCc2csc(C)n2)C1 ZINC001268167760 1084270158 /nfs/dbraw/zinc/27/01/58/1084270158.db2.gz HBVSUHLLJDISGN-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001184890381 1084278180 /nfs/dbraw/zinc/27/81/80/1084278180.db2.gz MNFQPVZDHLTUBP-GOSISDBHSA-N 0 3 316.420 3.100 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC001268194304 1084305686 /nfs/dbraw/zinc/30/56/86/1084305686.db2.gz IZSOEVGJCGURGX-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001185071168 1084344455 /nfs/dbraw/zinc/34/44/55/1084344455.db2.gz QSVZNZSSEJCQEB-HUUCEWRRSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)c1ccc(C)o1)C(C)C ZINC001268221784 1084349840 /nfs/dbraw/zinc/34/98/40/1084349840.db2.gz DYHBTNVWGNWODN-UONOGXRCSA-N 0 3 312.841 3.174 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc2cc[nH]c21)C(C)C ZINC001268221999 1084350249 /nfs/dbraw/zinc/35/02/49/1084350249.db2.gz YABOPMZGORQWRB-OAHLLOKOSA-N 0 3 319.836 3.264 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@H](C)c1cccc(C)c1 ZINC001268235285 1084376506 /nfs/dbraw/zinc/37/65/06/1084376506.db2.gz GXCFNKASBDDIPX-QGZVFWFLSA-N 0 3 300.446 3.250 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1oc2c(cccc2C)c1C ZINC001268258803 1084424949 /nfs/dbraw/zinc/42/49/49/1084424949.db2.gz GIKSRPLMEWLUIM-UHFFFAOYSA-N 0 3 312.413 3.077 20 30 DGEDHN C=CCCC1(C(=O)N2CC[C@@H](NCc3ccsc3)C2)CC1 ZINC001185487134 1084453146 /nfs/dbraw/zinc/45/31/46/1084453146.db2.gz UYINSDGEGORIMH-OAHLLOKOSA-N 0 3 304.459 3.185 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C\Cc1ccccc1 ZINC001481673819 1084465804 /nfs/dbraw/zinc/46/58/04/1084465804.db2.gz KGXWWXRNABQMAL-XSAZBNQGSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1F ZINC001481677787 1084472174 /nfs/dbraw/zinc/47/21/74/1084472174.db2.gz AVIBCZUJAPRLQJ-JYJNAYRXSA-N 0 3 316.420 3.388 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001481706137 1084498498 /nfs/dbraw/zinc/49/84/98/1084498498.db2.gz WTXLOOJGRSFMNQ-MJGOQNOKSA-N 0 3 300.446 3.288 20 30 DGEDHN C#CCCOC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC001185763416 1084521095 /nfs/dbraw/zinc/52/10/95/1084521095.db2.gz XGGKJEGTAOPMML-SFHVURJKSA-N 0 3 314.429 3.209 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001268407503 1084573483 /nfs/dbraw/zinc/57/34/83/1084573483.db2.gz YJFJCKMJZRZAHJ-BHYGNILZSA-N 0 3 320.864 3.335 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)CCNCc1sc(C)nc1C ZINC001268451584 1084615990 /nfs/dbraw/zinc/61/59/90/1084615990.db2.gz NSHPVLLQDIIZJE-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)(C)CC)NCc1ccc(C#N)s1 ZINC001481816187 1084649748 /nfs/dbraw/zinc/64/97/48/1084649748.db2.gz YEZXXGGYIXAPLS-ZDUSSCGKSA-N 0 3 321.490 3.430 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)(C)CC)NCc1ccc(C#N)s1 ZINC001481816186 1084649760 /nfs/dbraw/zinc/64/97/60/1084649760.db2.gz YEZXXGGYIXAPLS-CYBMUJFWSA-N 0 3 321.490 3.430 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](CC)NCc2scnc2C)CC1 ZINC001481848004 1084665613 /nfs/dbraw/zinc/66/56/13/1084665613.db2.gz KFQPINUGPKYMHC-HNNXBMFYSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1ccccc1F ZINC001481855810 1084672788 /nfs/dbraw/zinc/67/27/88/1084672788.db2.gz CEMASHLYQZOUKW-HNNXBMFYSA-N 0 3 306.425 3.412 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2CCC(F)CC2)CCCC1 ZINC001481904019 1084695798 /nfs/dbraw/zinc/69/57/98/1084695798.db2.gz BFHPPCDZFGVOKM-UHFFFAOYSA-N 0 3 316.848 3.286 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)Cc2ccco2)CCCC1 ZINC001481909105 1084699366 /nfs/dbraw/zinc/69/93/66/1084699366.db2.gz ANBKIJSOPFKCIP-ZDUSSCGKSA-N 0 3 324.852 3.229 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001268493085 1084718498 /nfs/dbraw/zinc/71/84/98/1084718498.db2.gz RFULKMKGCCIHHD-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001481983405 1084745682 /nfs/dbraw/zinc/74/56/82/1084745682.db2.gz IIAMAXPZOHVODG-QWHCGFSZSA-N 0 3 322.827 3.249 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001187192030 1084768042 /nfs/dbraw/zinc/76/80/42/1084768042.db2.gz TWZKKSYNKPWGOH-FUHWJXTLSA-N 0 3 324.424 3.432 20 30 DGEDHN C#CCCOC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC001211803009 1084770467 /nfs/dbraw/zinc/77/04/67/1084770467.db2.gz SSFWDVDOKHFRNB-MRXNPFEDSA-N 0 3 322.836 3.472 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1 ZINC001482032785 1084783349 /nfs/dbraw/zinc/78/33/49/1084783349.db2.gz LCONMWPEOFMZJS-PMACEKPBSA-N 0 3 324.468 3.242 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C/CN[C@H](C)c1cccc(Cl)c1 ZINC001268537211 1084790926 /nfs/dbraw/zinc/79/09/26/1084790926.db2.gz RMVBJQWMLHRCHK-MBVDDHJVSA-N 0 3 318.848 3.322 20 30 DGEDHN C[C@H](CNCc1cc2ccccc2o1)NC(=O)C#CC(C)(C)C ZINC001268646801 1084912554 /nfs/dbraw/zinc/91/25/54/1084912554.db2.gz YZAMACYPRWCFND-CQSZACIVSA-N 0 3 312.413 3.077 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CCC1CCCC1 ZINC001268677732 1084938901 /nfs/dbraw/zinc/93/89/01/1084938901.db2.gz OZJVVMANWJUXCW-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1)NC(=O)C#CC(C)(C)C ZINC001268685652 1084943003 /nfs/dbraw/zinc/94/30/03/1084943003.db2.gz HRVCVQNGCFKZEQ-STQMWFEESA-N 0 3 322.399 3.170 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1coc2ccc(CC)cc21 ZINC001268729293 1084991501 /nfs/dbraw/zinc/99/15/01/1084991501.db2.gz CRLLVFAQIGMOPZ-ZDUSSCGKSA-N 0 3 300.402 3.231 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001268733502 1085000342 /nfs/dbraw/zinc/00/03/42/1085000342.db2.gz XZJDRRULAFWLOH-MRXNPFEDSA-N 0 3 314.473 3.468 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001268748358 1085013750 /nfs/dbraw/zinc/01/37/50/1085013750.db2.gz YHAFIGJHARINSB-HZPDHXFCSA-N 0 3 302.462 3.365 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1cnc(Cl)s1 ZINC001268795438 1085055084 /nfs/dbraw/zinc/05/50/84/1085055084.db2.gz FWYYSKPGIKZDQR-UHFFFAOYSA-N 0 3 315.870 3.091 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001268767361 1085044375 /nfs/dbraw/zinc/04/43/75/1085044375.db2.gz PDSTUHKRBLYPRX-DOTOQJQBSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1csc(C)c1C ZINC001268794413 1085054776 /nfs/dbraw/zinc/05/47/76/1085054776.db2.gz NQKDWZWCPWKOTB-UHFFFAOYSA-N 0 3 300.855 3.169 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1ccncc1Cl ZINC001268796703 1085055815 /nfs/dbraw/zinc/05/58/15/1085055815.db2.gz ZUAMECZSMVDRTQ-UHFFFAOYSA-N 0 3 309.841 3.029 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001268808101 1085058961 /nfs/dbraw/zinc/05/89/61/1085058961.db2.gz OXTMYTYMJMTERS-MRXNPFEDSA-N 0 3 324.827 3.046 20 30 DGEDHN CC#CCCCC(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001268861878 1085070210 /nfs/dbraw/zinc/07/02/10/1085070210.db2.gz AHECIGZBDXMGKD-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN C#CCC1(C(=O)NCC2CN(CC/C=C\CC)C2)CCCCC1 ZINC001268917315 1085081336 /nfs/dbraw/zinc/08/13/36/1085081336.db2.gz PCCUELDEUJCLMM-WAYWQWQTSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001269101341 1085127144 /nfs/dbraw/zinc/12/71/44/1085127144.db2.gz XXPRZAKCBQDIGG-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(C)no2)[C@@H](CC)C1 ZINC001269169903 1085177661 /nfs/dbraw/zinc/17/76/61/1085177661.db2.gz SRXVJNRLJKELMF-RDJZCZTQSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001269177700 1085182684 /nfs/dbraw/zinc/18/26/84/1085182684.db2.gz NSYCRSGIAZFNPX-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001269224261 1085217081 /nfs/dbraw/zinc/21/70/81/1085217081.db2.gz UHROXZLPNGSJLU-SFHVURJKSA-N 0 3 312.457 3.106 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001269249020 1085236389 /nfs/dbraw/zinc/23/63/89/1085236389.db2.gz PPEBJSWCYRQFGR-CYBMUJFWSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001269255239 1085239285 /nfs/dbraw/zinc/23/92/85/1085239285.db2.gz MZNHXDZYIRZULT-OLZOCXBDSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2C)C1 ZINC001269262320 1085245074 /nfs/dbraw/zinc/24/50/74/1085245074.db2.gz GRSZVORVWLZFKJ-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1CC/C=C/c1ccccc1 ZINC001269278805 1085259752 /nfs/dbraw/zinc/25/97/52/1085259752.db2.gz PMHPWYXHOMZYOB-CWUFLNSKSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCC1(C(=O)N(C)[C@@H]2CCN(CC(=C)C)C2)CCCCC1 ZINC001269301992 1085281920 /nfs/dbraw/zinc/28/19/20/1085281920.db2.gz PBKYFCBTHRMRAX-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001269309202 1085287064 /nfs/dbraw/zinc/28/70/64/1085287064.db2.gz GFXARKRYKAEOEO-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC001269337289 1085313959 /nfs/dbraw/zinc/31/39/59/1085313959.db2.gz IMXKIPOIFZLRLS-ZDUSSCGKSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001269338044 1085314550 /nfs/dbraw/zinc/31/45/50/1085314550.db2.gz BQTRWIYKARPDTR-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001269354742 1085329889 /nfs/dbraw/zinc/32/98/89/1085329889.db2.gz AFCYFLRYPVIXNW-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001269356056 1085333218 /nfs/dbraw/zinc/33/32/18/1085333218.db2.gz MEJZGJQUGSRPLO-CABCVRRESA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1cc(C)ccc1F ZINC001269412178 1085373681 /nfs/dbraw/zinc/37/36/81/1085373681.db2.gz DSKWUIMKTLHYOE-INIZCTEOSA-N 0 3 306.425 3.475 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1ccnc(Cl)c1 ZINC001269413420 1085374798 /nfs/dbraw/zinc/37/47/98/1085374798.db2.gz UNNDXMDMSDOTQX-AWEZNQCLSA-N 0 3 309.841 3.076 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001269453007 1085395449 /nfs/dbraw/zinc/39/54/49/1085395449.db2.gz AARSEUZYXVABCG-HKUYNNGSSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC001269689452 1085528505 /nfs/dbraw/zinc/52/85/05/1085528505.db2.gz JISJVSYYFGDXQP-CQSZACIVSA-N 0 3 324.827 3.410 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1ccc(F)c(F)c1 ZINC001270015849 1085654598 /nfs/dbraw/zinc/65/45/98/1085654598.db2.gz OEACFBSBQQSDNH-CQSZACIVSA-N 0 3 308.372 3.012 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001270034814 1085663091 /nfs/dbraw/zinc/66/30/91/1085663091.db2.gz RSCVBRUPDBWVIE-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C)cc1 ZINC001270071062 1085679135 /nfs/dbraw/zinc/67/91/35/1085679135.db2.gz KUPBKPLXVRSXDE-APWZRJJASA-N 0 3 312.457 3.242 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1ncccc1C ZINC001270113053 1085697054 /nfs/dbraw/zinc/69/70/54/1085697054.db2.gz NTCGAJLBBWOJEB-DLBZAZTESA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCCc2cccs2)CC1 ZINC001270262075 1085752798 /nfs/dbraw/zinc/75/27/98/1085752798.db2.gz ZMSKMSFHEQOBOO-UHFFFAOYSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)CNCc2csc(C)n2)CC1 ZINC001270508104 1085838881 /nfs/dbraw/zinc/83/88/81/1085838881.db2.gz SIRGLMWKKXATAV-ZDUSSCGKSA-N 0 3 321.490 3.040 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNCc1nc(C)c(C)s1 ZINC001270509407 1085839497 /nfs/dbraw/zinc/83/94/97/1085839497.db2.gz XUYVHGOCKXVYRO-PXAZEXFGSA-N 0 3 323.506 3.204 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001270514202 1085841206 /nfs/dbraw/zinc/84/12/06/1085841206.db2.gz WLXFDXFZOXNMAF-DNXKIMQPSA-N 0 3 322.880 3.103 20 30 DGEDHN O=C(C=C1CCC1)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001270726962 1085967513 /nfs/dbraw/zinc/96/75/13/1085967513.db2.gz FJQKKVLZLPAMFJ-UHFFFAOYSA-N 0 3 322.452 3.167 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(CC(C)C)CCC1)CC2 ZINC001270851648 1086048473 /nfs/dbraw/zinc/04/84/73/1086048473.db2.gz PQKURTZBCCTMAH-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC001482443809 1086193756 /nfs/dbraw/zinc/19/37/56/1086193756.db2.gz RVIVFPOURINHAJ-HZPDHXFCSA-N 0 3 310.869 3.456 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@]1(C)C=CCC1 ZINC001280334174 1086218975 /nfs/dbraw/zinc/21/89/75/1086218975.db2.gz TTYFASPKUJPLMJ-HXUWFJFHSA-N 0 3 310.441 3.114 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001270990970 1086235978 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C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc[nH]c1C1CCC1 ZINC001158472549 1087847753 /nfs/dbraw/zinc/84/77/53/1087847753.db2.gz BKKIGWKDTZTYIH-MRXNPFEDSA-N 0 3 315.461 3.395 20 30 DGEDHN N#Cc1cc(N2CCCc3ccc(CN)nc32)nc2ccccc12 ZINC001158656028 1087959164 /nfs/dbraw/zinc/95/91/64/1087959164.db2.gz SHSRTCQJSFYZCL-UHFFFAOYSA-N 0 3 315.380 3.044 20 30 DGEDHN C=CCOCCCC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001152561687 1087999689 /nfs/dbraw/zinc/99/96/89/1087999689.db2.gz QZSJZBKUGFWJDV-OAHLLOKOSA-N 0 3 324.490 3.058 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1occc1C ZINC001099219860 1088054095 /nfs/dbraw/zinc/05/40/95/1088054095.db2.gz FLLYMIJZWCMNHX-MRXNPFEDSA-N 0 3 318.461 3.313 20 30 DGEDHN C=CC[C@@H](Nc1ccc([C@@H]2CCCCN2CC)cn1)C(=O)OC ZINC001158863071 1088075515 /nfs/dbraw/zinc/07/55/15/1088075515.db2.gz XPIJOFOLXUBISO-CVEARBPZSA-N 0 3 317.433 3.158 20 30 DGEDHN CC1(C)CCCC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001152910409 1088110428 /nfs/dbraw/zinc/11/04/28/1088110428.db2.gz IRWICPHWCJIQFO-OAHLLOKOSA-N 0 3 319.474 3.042 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cscc1C(F)F ZINC001153400325 1088239022 /nfs/dbraw/zinc/23/90/22/1088239022.db2.gz NYDBXWOKNIMSKN-LLVKDONJSA-N 0 3 314.401 3.149 20 30 DGEDHN CN1CC(CNc2c(C#N)c(Cl)nc3cccc(Cl)c32)C1 ZINC001159222763 1088243040 /nfs/dbraw/zinc/24/30/40/1088243040.db2.gz RYQKSPSYUPQXSP-UHFFFAOYSA-N 0 3 321.211 3.387 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2sccc21 ZINC001153447831 1088250790 /nfs/dbraw/zinc/25/07/90/1088250790.db2.gz VVYHNBLHZCXOAW-ZDUSSCGKSA-N 0 3 300.427 3.282 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(Cl)c1C ZINC001153506839 1088265233 /nfs/dbraw/zinc/26/52/33/1088265233.db2.gz GFIACQRVJRDWHH-CYBMUJFWSA-N 0 3 306.837 3.112 20 30 DGEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CCCCC(C)(C)C ZINC001153580969 1088292914 /nfs/dbraw/zinc/29/29/14/1088292914.db2.gz PGGHUVHJCFAANV-QGZVFWFLSA-N 0 3 324.509 3.069 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001099245275 1088309963 /nfs/dbraw/zinc/30/99/63/1088309963.db2.gz JLXZWAMDANWZJP-STQMWFEESA-N 0 3 302.409 3.071 20 30 DGEDHN Cc1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)nc1C#N ZINC001159592242 1088407808 /nfs/dbraw/zinc/40/78/08/1088407808.db2.gz NXUZZQVMNWTBIK-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC001123337112 1088418295 /nfs/dbraw/zinc/41/82/95/1088418295.db2.gz NNUICMYTSXEZJU-ZDUSSCGKSA-N 0 3 319.767 3.412 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@@H](C)c2cccc(OC)c2)CC1 ZINC001483758911 1088536339 /nfs/dbraw/zinc/53/63/39/1088536339.db2.gz QHBVDWBFOQWVHG-AWEZNQCLSA-N 0 3 316.445 3.207 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)CC(C)(C)C1 ZINC001089386727 1088557089 /nfs/dbraw/zinc/55/70/89/1088557089.db2.gz SKJDRPQDXDGIKO-SJORKVTESA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)CC(C)(C)C1 ZINC001089416771 1088582648 /nfs/dbraw/zinc/58/26/48/1088582648.db2.gz PKAMVIWLEKHUIH-ROUUACIJSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c2cccnc12 ZINC001154373930 1088587235 /nfs/dbraw/zinc/58/72/35/1088587235.db2.gz VIUIBCPSXOXWIN-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001160131238 1088658375 /nfs/dbraw/zinc/65/83/75/1088658375.db2.gz IDPGXUDLUUUWHX-GOSISDBHSA-N 0 3 314.473 3.119 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)CC(C)(C)C1 ZINC001089480226 1088672695 /nfs/dbraw/zinc/67/26/95/1088672695.db2.gz PJJLLBKGQKJXAH-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)CC(C)(C)C1 ZINC001089536438 1088718180 /nfs/dbraw/zinc/71/81/80/1088718180.db2.gz CHIVGVIOYNGIBP-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC(C)(C)C1 ZINC001089543896 1088730747 /nfs/dbraw/zinc/73/07/47/1088730747.db2.gz JDRUQYMUPDYNJH-KZNAEPCWSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1F ZINC001089602086 1088798214 /nfs/dbraw/zinc/79/82/14/1088798214.db2.gz VXSYHSFXOKLNIC-OAHLLOKOSA-N 0 3 316.420 3.069 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001272675097 1088811185 /nfs/dbraw/zinc/81/11/85/1088811185.db2.gz GTVMUGDSQRDNSE-RBUKOAKNSA-N 0 3 312.457 3.357 20 30 DGEDHN C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001089609188 1088814539 /nfs/dbraw/zinc/81/45/39/1088814539.db2.gz IBWRSKDZHUAVSC-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001089609188 1088814557 /nfs/dbraw/zinc/81/45/57/1088814557.db2.gz IBWRSKDZHUAVSC-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001089609189 1088815553 /nfs/dbraw/zinc/81/55/53/1088815553.db2.gz IBWRSKDZHUAVSC-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001089609189 1088815568 /nfs/dbraw/zinc/81/55/68/1088815568.db2.gz IBWRSKDZHUAVSC-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1C ZINC001089634832 1088856748 /nfs/dbraw/zinc/85/67/48/1088856748.db2.gz HVDDSPKNWNPBGW-INIZCTEOSA-N 0 3 315.461 3.187 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N(C)CCc1ccc(F)cc1 ZINC001160590340 1088885452 /nfs/dbraw/zinc/88/54/52/1088885452.db2.gz NOHOJQKSOVTWLB-KRWDZBQOSA-N 0 3 306.425 3.290 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCCOCC ZINC001483812959 1088917393 /nfs/dbraw/zinc/91/73/93/1088917393.db2.gz ZDTMHXDIKGDKFR-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC#Cc1ccccc1 ZINC001483812715 1088918868 /nfs/dbraw/zinc/91/88/68/1088918868.db2.gz XFBHMRDCVSZTFE-UXHICEINSA-N 0 3 322.452 3.070 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001483830577 1088932627 /nfs/dbraw/zinc/93/26/27/1088932627.db2.gz PHTLQVLLCCJUJV-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001160804809 1088970832 /nfs/dbraw/zinc/97/08/32/1088970832.db2.gz SWFXDDYPNACVHI-HNNXBMFYSA-N 0 3 312.404 3.136 20 30 DGEDHN Cc1nc(-n2c3ccccc3nc2[C@H](C)N)c(Cl)cc1C#N ZINC001155257208 1089030247 /nfs/dbraw/zinc/03/02/47/1089030247.db2.gz YNNHTPWAALDDRK-VIFPVBQESA-N 0 3 311.776 3.274 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001160953431 1089038870 /nfs/dbraw/zinc/03/88/70/1089038870.db2.gz ASXQDRQQQCQEPH-AWEZNQCLSA-N 0 3 312.373 3.205 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1ncc(F)c(-c2ccsc2)n1 ZINC001160957489 1089040755 /nfs/dbraw/zinc/04/07/55/1089040755.db2.gz LZRMEWBPAQRVOD-ZDUSSCGKSA-N 0 3 318.421 3.407 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001089658605 1089045150 /nfs/dbraw/zinc/04/51/50/1089045150.db2.gz MUPCCCLOALPZCX-INIZCTEOSA-N 0 3 317.477 3.428 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CO[C@H]2CCCC[C@H]2CC)CC1 ZINC001483967280 1089056697 /nfs/dbraw/zinc/05/66/97/1089056697.db2.gz LBNVXPQIDULYNV-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN(C(=O)c1ccco1)C1CCN(Cc2ccccc2)CC1 ZINC001483977827 1089063548 /nfs/dbraw/zinc/06/35/48/1089063548.db2.gz FVGYEIYWKWESPG-UHFFFAOYSA-N 0 3 322.408 3.020 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001089680135 1089134907 /nfs/dbraw/zinc/13/49/07/1089134907.db2.gz HBHZJWAQUHILAO-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(CCc2ccccc2F)C1 ZINC001484047379 1089137002 /nfs/dbraw/zinc/13/70/02/1089137002.db2.gz BCIDNTLPSAHDPA-IBGZPJMESA-N 0 3 318.436 3.305 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001484065152 1089152941 /nfs/dbraw/zinc/15/29/41/1089152941.db2.gz KGMFILISBZPHDP-KSSFIOAISA-N 0 3 304.409 3.086 20 30 DGEDHN N#Cc1ccc2ccnc(N[C@H]3CNCc4ccsc43)c2c1 ZINC001155560696 1089164392 /nfs/dbraw/zinc/16/43/92/1089164392.db2.gz IKVLOXPKPKKUTK-HNNXBMFYSA-N 0 3 306.394 3.424 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnc1C ZINC001089688382 1089171751 /nfs/dbraw/zinc/17/17/51/1089171751.db2.gz UBULVPXYTJSCFA-MRXNPFEDSA-N 0 3 315.461 3.187 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001089689185 1089173495 /nfs/dbraw/zinc/17/34/95/1089173495.db2.gz CDMLEVKTIGUUIO-GPANFISMSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001089690879 1089180753 /nfs/dbraw/zinc/18/07/53/1089180753.db2.gz VNQNSTYEVRMLGK-AEFFLSMTSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)cc(F)c2)CC1 ZINC001161314305 1089186777 /nfs/dbraw/zinc/18/67/77/1089186777.db2.gz URQFLWIYZFQSFQ-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001155644991 1089198266 /nfs/dbraw/zinc/19/82/66/1089198266.db2.gz UTCKWUSGKVWASR-IAGOWNOFSA-N 0 3 300.446 3.030 20 30 DGEDHN CCCCC[C@@H](C)CC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001155653970 1089201125 /nfs/dbraw/zinc/20/11/25/1089201125.db2.gz JUADYZJOZICVMA-QZTJIDSGSA-N 0 3 324.509 3.069 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001161417103 1089233214 /nfs/dbraw/zinc/23/32/14/1089233214.db2.gz CTBNNHCYHCDACC-OAHLLOKOSA-N 0 3 302.418 3.016 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001484164314 1089240994 /nfs/dbraw/zinc/24/09/94/1089240994.db2.gz UPKAOSIPURRBKJ-UYAOXDASSA-N 0 3 316.489 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001089703490 1089251568 /nfs/dbraw/zinc/25/15/68/1089251568.db2.gz KNXQIUYWURNDOK-MRXNPFEDSA-N 0 3 317.477 3.428 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001089703753 1089255727 /nfs/dbraw/zinc/25/57/27/1089255727.db2.gz QIJFMIQAVVDDSJ-HOTGVXAUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC001161510013 1089266711 /nfs/dbraw/zinc/26/67/11/1089266711.db2.gz WCTDZSNVPYSXLA-IBGZPJMESA-N 0 3 324.468 3.431 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1F ZINC001155857401 1089274693 /nfs/dbraw/zinc/27/46/93/1089274693.db2.gz RYQXNIVAQXJEDR-HZPDHXFCSA-N 0 3 318.436 3.169 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1F ZINC001089715400 1089288919 /nfs/dbraw/zinc/28/89/19/1089288919.db2.gz WHCXDAXJLLBAOS-AWEZNQCLSA-N 0 3 319.424 3.017 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001161621880 1089317751 /nfs/dbraw/zinc/31/77/51/1089317751.db2.gz CSKFCOGVGLCRCH-OALUTQOASA-N 0 3 316.489 3.365 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001161621882 1089317802 /nfs/dbraw/zinc/31/78/02/1089317802.db2.gz CSKFCOGVGLCRCH-RTBURBONSA-N 0 3 316.489 3.365 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)co1)c1ccccc1CC ZINC001484323743 1089334501 /nfs/dbraw/zinc/33/45/01/1089334501.db2.gz OYDDWCAXXMYQIF-SFHVURJKSA-N 0 3 324.424 3.234 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001156011999 1089344321 /nfs/dbraw/zinc/34/43/21/1089344321.db2.gz XHUHYBMDNWDBDJ-KZNAEPCWSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001161733653 1089376067 /nfs/dbraw/zinc/37/60/67/1089376067.db2.gz HMMZRYLEZUONMD-GOSISDBHSA-N 0 3 324.468 3.260 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC001161766173 1089392325 /nfs/dbraw/zinc/39/23/25/1089392325.db2.gz KXPSTBOXRQHFCA-UHFFFAOYSA-N 0 3 323.440 3.035 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[C@@H]1C ZINC001484398491 1089396215 /nfs/dbraw/zinc/39/62/15/1089396215.db2.gz AFQLXEREWULEJY-HKUYNNGSSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001484393338 1089400402 /nfs/dbraw/zinc/40/04/02/1089400402.db2.gz VQIUUAIPYJGUDY-SHTZXODSSA-N 0 3 321.490 3.122 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](CC)C(C)C ZINC001484466445 1089436740 /nfs/dbraw/zinc/43/67/40/1089436740.db2.gz UBOQRBAKXUILQW-FGTMMUONSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001484507644 1089447052 /nfs/dbraw/zinc/44/70/52/1089447052.db2.gz GCLZZQLKUIHONP-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001484525024 1089463797 /nfs/dbraw/zinc/46/37/97/1089463797.db2.gz CKQKRFZWIFSQNH-GJZGRUSLSA-N 0 3 310.869 3.147 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC001161914154 1089466156 /nfs/dbraw/zinc/46/61/56/1089466156.db2.gz HEEFUFKXWGBHPO-QGZVFWFLSA-N 0 3 312.457 3.190 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C#CC(C)(C)C ZINC001484553279 1089488622 /nfs/dbraw/zinc/48/86/22/1089488622.db2.gz BZGXTCJLYFSRHQ-UHFFFAOYSA-N 0 3 312.457 3.360 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@](C)(C=C)CC ZINC001484557951 1089492921 /nfs/dbraw/zinc/49/29/21/1089492921.db2.gz WWQHAJOUDBKOEH-FQEVSTJZSA-N 0 3 312.457 3.360 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccccc2CC)cc1 ZINC001484560718 1089495214 /nfs/dbraw/zinc/49/52/14/1089495214.db2.gz GXBNKIWBQOIIRM-INIZCTEOSA-N 0 3 320.436 3.463 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(CF)cc2)CC1 ZINC001161968355 1089498394 /nfs/dbraw/zinc/49/83/94/1089498394.db2.gz QHLBDMFLZXSCBQ-UHFFFAOYSA-N 0 3 302.393 3.094 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccoc2C(C)C)CC1 ZINC001161973313 1089503826 /nfs/dbraw/zinc/50/38/26/1089503826.db2.gz UHSFTUSBABGFQE-UHFFFAOYSA-N 0 3 314.429 3.178 20 30 DGEDHN CC(C(=O)NCCCNCc1ccccc1C#N)=C1CCCC1 ZINC001156430508 1089519574 /nfs/dbraw/zinc/51/95/74/1089519574.db2.gz UYFPITKNHJLEQL-UHFFFAOYSA-N 0 3 311.429 3.045 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)c(F)c1 ZINC001272686443 1089545397 /nfs/dbraw/zinc/54/53/97/1089545397.db2.gz KLCHEPPCDUTQSC-QZTJIDSGSA-N 0 3 316.420 3.276 20 30 DGEDHN C#CCNC1(CNC(=O)c2cc3cc(C)ccc3s2)CCC1 ZINC001484657142 1089575792 /nfs/dbraw/zinc/57/57/92/1089575792.db2.gz ACHYIBNNPAGXBS-UHFFFAOYSA-N 0 3 312.438 3.085 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c(F)cc1Cl ZINC001156629958 1089617749 /nfs/dbraw/zinc/61/77/49/1089617749.db2.gz VRJVQIBRXAPTIE-CYBMUJFWSA-N 0 3 324.827 3.251 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c2nc(C)ccc2c1 ZINC001156653886 1089628018 /nfs/dbraw/zinc/62/80/18/1089628018.db2.gz PMAXEVZRNLZDLA-SFHVURJKSA-N 0 3 323.440 3.232 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001484756600 1089665404 /nfs/dbraw/zinc/66/54/04/1089665404.db2.gz ANAYIMYKLSZEGD-IBGZPJMESA-N 0 3 317.477 3.273 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001484770742 1089671342 /nfs/dbraw/zinc/67/13/42/1089671342.db2.gz JMWTVOVMQUEDTA-SJORKVTESA-N 0 3 310.457 3.263 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2cc1F ZINC001162322787 1089673123 /nfs/dbraw/zinc/67/31/23/1089673123.db2.gz XDTZQOFVBQWROP-UHFFFAOYSA-N 0 3 320.795 3.441 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@]2(C)CC=CCC2)cc1 ZINC001272690997 1089710775 /nfs/dbraw/zinc/71/07/75/1089710775.db2.gz GQYHLTKFZCLAQK-OXJNMPFZSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001484940139 1089773442 /nfs/dbraw/zinc/77/34/42/1089773442.db2.gz BERAAROCEVUPNU-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H](C)N(CC)CC#CC)c1ccccc1 ZINC001157041070 1089797724 /nfs/dbraw/zinc/79/77/24/1089797724.db2.gz AVYAALAPYKLXPW-MJGOQNOKSA-N 0 3 312.457 3.196 20 30 DGEDHN N#Cc1ccccc1CNCCCNC(=O)C1=CCCCCC1 ZINC001157048959 1089801695 /nfs/dbraw/zinc/80/16/95/1089801695.db2.gz SXICFOCDXRDFIR-UHFFFAOYSA-N 0 3 311.429 3.045 20 30 DGEDHN CC(C)CCN1CCc2ccccc2[C@H]1CNC(=O)C#CC1CC1 ZINC001485003536 1089840144 /nfs/dbraw/zinc/84/01/44/1089840144.db2.gz BSUOPZCPKHKIPL-HXUWFJFHSA-N 0 3 324.468 3.162 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1ccccc1C ZINC001157177931 1089856833 /nfs/dbraw/zinc/85/68/33/1089856833.db2.gz WXJXFZKDKCAOEF-QZTJIDSGSA-N 0 3 314.473 3.024 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1c(C)cc(C)cc1C ZINC001485068380 1089904584 /nfs/dbraw/zinc/90/45/84/1089904584.db2.gz DMFFPCLNOJPQBF-SFHVURJKSA-N 0 3 314.473 3.263 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(C)cc(C)cc1C ZINC001485075690 1089925700 /nfs/dbraw/zinc/92/57/00/1089925700.db2.gz OBVVLLGNNQOUGN-QGZVFWFLSA-N 0 3 300.446 3.334 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001157440848 1089969409 /nfs/dbraw/zinc/96/94/09/1089969409.db2.gz BGAORHPHBQFGME-CNZFZVQHSA-N 0 3 312.457 3.248 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1c(C)cccc1Cl ZINC001485142173 1089981549 /nfs/dbraw/zinc/98/15/49/1089981549.db2.gz MQHHDDAKYWZWPH-HUUCEWRRSA-N 0 3 320.864 3.435 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485144841 1089982824 /nfs/dbraw/zinc/98/28/24/1089982824.db2.gz GLDCRGSRJZFVQZ-UGQPTUNDSA-N 0 3 316.420 3.016 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCNCCF)CCc1ccccc1 ZINC001162897782 1090013519 /nfs/dbraw/zinc/01/35/19/1090013519.db2.gz JDCGXLBVWXXGRX-KRWDZBQOSA-N 0 3 320.452 3.219 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2cccnc2)CCCC1 ZINC001485232709 1090039892 /nfs/dbraw/zinc/03/98/92/1090039892.db2.gz APDODDJTPRLVGV-HOTGVXAUSA-N 0 3 315.461 3.201 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2c(o1)c(F)ccc2C ZINC001163114776 1090081913 /nfs/dbraw/zinc/08/19/13/1090081913.db2.gz RKKNDRLDDWPRCM-UHFFFAOYSA-N 0 3 324.783 3.342 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001485295670 1090087744 /nfs/dbraw/zinc/08/77/44/1090087744.db2.gz LXFXSYXVYIXHRH-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2cccc(C)c2s1 ZINC001485320892 1090098475 /nfs/dbraw/zinc/09/84/75/1090098475.db2.gz TUJMMPXXEIPERN-CYBMUJFWSA-N 0 3 302.443 3.446 20 30 DGEDHN Cc1cc(Cl)nc(N2CCN[C@H](c3ccccc3)C2)c1C#N ZINC001157759475 1090101138 /nfs/dbraw/zinc/10/11/38/1090101138.db2.gz MMDUZMQAACCPAS-HNNXBMFYSA-N 0 3 312.804 3.066 20 30 DGEDHN CCc1cccc(CN(C)[C@H](C)CNC(=O)C#CC(C)(C)C)c1 ZINC001485304730 1090102875 /nfs/dbraw/zinc/10/28/75/1090102875.db2.gz UHUZAPJJXXYSJW-MRXNPFEDSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2sccc2C)CC1 ZINC001163190789 1090107069 /nfs/dbraw/zinc/10/70/69/1090107069.db2.gz NPICIHXBPFRZSE-UHFFFAOYSA-N 0 3 312.866 3.299 20 30 DGEDHN N#Cc1nccc2cc(N[C@H]3CNCc4ccsc43)ccc12 ZINC001163229363 1090126661 /nfs/dbraw/zinc/12/66/61/1090126661.db2.gz ICYNMTZFPBBHOA-INIZCTEOSA-N 0 3 306.394 3.424 20 30 DGEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001485390701 1090141177 /nfs/dbraw/zinc/14/11/77/1090141177.db2.gz KOCACGWCNUPVCM-HKUYNNGSSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1oc2ccccc2c1CC ZINC001485391138 1090142726 /nfs/dbraw/zinc/14/27/26/1090142726.db2.gz OAQJAOMOKLCFTA-ZDUSSCGKSA-N 0 3 300.402 3.231 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](CCCC)CNCC#Cc1ccccc1 ZINC001485463963 1090166139 /nfs/dbraw/zinc/16/61/39/1090166139.db2.gz QJULFCUAAJZERG-BRHWKXANSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)nc1 ZINC001158066353 1090180607 /nfs/dbraw/zinc/18/06/07/1090180607.db2.gz PQZFUDIJDPTVMK-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001485479508 1090184784 /nfs/dbraw/zinc/18/47/84/1090184784.db2.gz LISYRHFKGOSQMR-GWQNQTGSSA-N 0 3 324.468 3.169 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001163487147 1090197479 /nfs/dbraw/zinc/19/74/79/1090197479.db2.gz MKQJZUKAAJZTAS-OAHLLOKOSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1csc2ccccc12 ZINC001163505821 1090202048 /nfs/dbraw/zinc/20/20/48/1090202048.db2.gz YYZOPMDVONOWLU-UHFFFAOYSA-N 0 3 308.834 3.363 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC001485579902 1090217105 /nfs/dbraw/zinc/21/71/05/1090217105.db2.gz XADQKWBUMVVQTM-CQSZACIVSA-N 0 3 321.490 3.330 20 30 DGEDHN C=CCOCc1cccc(N[C@H]2CCCC[C@@]23CNCCO3)c1 ZINC001163654141 1090224239 /nfs/dbraw/zinc/22/42/39/1090224239.db2.gz VLUSDLMHXHBPJW-RBUKOAKNSA-N 0 3 316.445 3.102 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC001485666862 1090235368 /nfs/dbraw/zinc/23/53/68/1090235368.db2.gz SMZZUCVGINTMQN-YTQUADARSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc3cc[nH]c3c2)C1=O ZINC001272734679 1090336942 /nfs/dbraw/zinc/33/69/42/1090336942.db2.gz YCUPHRKENMFCFM-HXUWFJFHSA-N 0 3 323.440 3.311 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001164221967 1090376227 /nfs/dbraw/zinc/37/62/27/1090376227.db2.gz HEBGDQAJKXZINT-OLZOCXBDSA-N 0 3 310.388 3.019 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485823649 1090384359 /nfs/dbraw/zinc/38/43/59/1090384359.db2.gz VIRJCYPCFTWJOR-HKUYNNGSSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](CNCc1ccccn1)C1CC1 ZINC001485823651 1090384431 /nfs/dbraw/zinc/38/44/31/1090384431.db2.gz VIRJCYPCFTWJOR-MJGOQNOKSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C\c1ccc(C)cc1)C2 ZINC001111530218 1090489522 /nfs/dbraw/zinc/48/95/22/1090489522.db2.gz UZARBPGAZAHTPT-QFTWQFLFSA-N 0 3 322.452 3.143 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850518 1090515018 /nfs/dbraw/zinc/51/50/18/1090515018.db2.gz LJVADWBRXLBOJL-APWZRJJASA-N 0 3 322.493 3.129 20 30 DGEDHN COC1CCC(Nc2ccc(/N=C/N(C)C)c(C#N)c2)CC1 ZINC001168608037 1090602127 /nfs/dbraw/zinc/60/21/27/1090602127.db2.gz BIGDYOZDFCYRHZ-XDHOZWIPSA-N 0 3 300.406 3.149 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2occ3c2CCC3)CC1 ZINC001166398457 1090603061 /nfs/dbraw/zinc/60/30/61/1090603061.db2.gz VFVSVFNJXBKNDK-UHFFFAOYSA-N 0 3 322.836 3.011 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)C(F)F)C12CCC2 ZINC001203383258 1090628390 /nfs/dbraw/zinc/62/83/90/1090628390.db2.gz DQWODPWVHJUKJQ-GHMZBOCLSA-N 0 3 320.811 3.047 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccc4occc4c3)CC2)C1=O ZINC001272880900 1090666043 /nfs/dbraw/zinc/66/60/43/1090666043.db2.gz RPFPBJHCCCIFHH-UHFFFAOYSA-N 0 3 324.424 3.433 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)C=C3CCC3)cccc2C1 ZINC001272917203 1090680279 /nfs/dbraw/zinc/68/02/79/1090680279.db2.gz RNUVSZMRUWAWSM-UHFFFAOYSA-N 0 3 310.441 3.347 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1OCC(C)C ZINC001168666272 1090688202 /nfs/dbraw/zinc/68/82/02/1090688202.db2.gz DOTDFFAOUWIUCX-UHFFFAOYSA-N 0 3 324.852 3.183 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2sccc2s1 ZINC001485892345 1090721179 /nfs/dbraw/zinc/72/11/79/1090721179.db2.gz ORBQCFUURHNWCV-LLVKDONJSA-N 0 3 306.456 3.036 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(F)c1 ZINC001485911642 1090724296 /nfs/dbraw/zinc/72/42/96/1090724296.db2.gz FEKMQIRMRYCEIP-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C1CC(C)(C)C1 ZINC001486109626 1090751659 /nfs/dbraw/zinc/75/16/59/1090751659.db2.gz PGEHEGIGNMIMAE-LPHOPBHVSA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3c2CCCCC3)C1 ZINC001486115911 1090753671 /nfs/dbraw/zinc/75/36/71/1090753671.db2.gz ULZCWQZQKKYQKZ-SJLPKXTDSA-N 0 3 324.468 3.171 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001486117837 1090754527 /nfs/dbraw/zinc/75/45/27/1090754527.db2.gz MVURCULKACBRPI-UYAOXDASSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001486122614 1090755098 /nfs/dbraw/zinc/75/50/98/1090755098.db2.gz SPEAYXRMJYNMQO-GDBMZVCRSA-N 0 3 304.409 3.261 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2c3ccccc3oc2CC)C1 ZINC001486133615 1090758568 /nfs/dbraw/zinc/75/85/68/1090758568.db2.gz FEUCBZYJMUAFDF-GJZGRUSLSA-N 0 3 324.424 3.211 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cnco2)[C@H]1C ZINC001486176379 1090776105 /nfs/dbraw/zinc/77/61/05/1090776105.db2.gz KUDVVGLLXGSFIY-CABCVRRESA-N 0 3 307.438 3.228 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)C(C)C)Cc1ccccc1 ZINC001486187143 1090781924 /nfs/dbraw/zinc/78/19/24/1090781924.db2.gz OETCKQNNBAAEDU-MRXNPFEDSA-N 0 3 308.853 3.102 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(F)c(C)c1)C(C)C ZINC001486374571 1090812341 /nfs/dbraw/zinc/81/23/41/1090812341.db2.gz BYQCYCNUGJDUKY-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(C(C)C)cn1)C(C)C ZINC001486376071 1090813304 /nfs/dbraw/zinc/81/33/04/1090813304.db2.gz VGZRQWATPZEKSK-UHFFFAOYSA-N 0 3 303.450 3.173 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001280824176 1090813436 /nfs/dbraw/zinc/81/34/36/1090813436.db2.gz YZENTWRFCYQDPD-IYARVYRRSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC(F)(F)C(F)F)C(C)C ZINC001486376225 1090814006 /nfs/dbraw/zinc/81/40/06/1090814006.db2.gz YVUBHBSJXNMIHU-UHFFFAOYSA-N 0 3 312.351 3.022 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccccc1F)C(C)(C)C ZINC001486389701 1090821387 /nfs/dbraw/zinc/82/13/87/1090821387.db2.gz RDNXEKDHFMWCPI-INIZCTEOSA-N 0 3 306.425 3.412 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC001203914337 1090837804 /nfs/dbraw/zinc/83/78/04/1090837804.db2.gz RCKJWAZTDZEJEU-MOPGFXCFSA-N 0 3 319.420 3.399 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)CCCCC(C)C)CC2)CC1 ZINC001486489971 1090855181 /nfs/dbraw/zinc/85/51/81/1090855181.db2.gz CKSQJCUJLTULSM-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC001204050295 1090884491 /nfs/dbraw/zinc/88/44/91/1090884491.db2.gz SBSWRBKOHIYDSW-OAHLLOKOSA-N 0 3 313.401 3.045 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(SC)cc1 ZINC001272966672 1090937221 /nfs/dbraw/zinc/93/72/21/1090937221.db2.gz WPQMUZOBQDHHNF-IAGOWNOFSA-N 0 3 316.470 3.160 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204278197 1090939453 /nfs/dbraw/zinc/93/94/53/1090939453.db2.gz XKQWNLSFMYBIPS-SFHVURJKSA-N 0 3 324.380 3.013 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204278197 1090939454 /nfs/dbraw/zinc/93/94/54/1090939454.db2.gz XKQWNLSFMYBIPS-SFHVURJKSA-N 0 3 324.380 3.013 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C(C)C)cc1 ZINC001272968653 1090939518 /nfs/dbraw/zinc/93/95/18/1090939518.db2.gz GHVSPCGPHAJQSV-OAQYLSRUSA-N 0 3 324.468 3.400 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001128353285 1090944019 /nfs/dbraw/zinc/94/40/19/1090944019.db2.gz RNRMXQMQFLPYEW-QGZVFWFLSA-N 0 3 302.462 3.471 20 30 DGEDHN C#CCN1CC[C@]2(CCCN(Cc3ccc(C)c(C)c3)CC2)C1=O ZINC001272988741 1090967816 /nfs/dbraw/zinc/96/78/16/1090967816.db2.gz WKJYSKIUXSOUOS-OAQYLSRUSA-N 0 3 324.468 3.141 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001276467621 1090976678 /nfs/dbraw/zinc/97/66/78/1090976678.db2.gz BVQGLBUAKWBTKI-PXNSSMCTSA-N 0 3 324.468 3.196 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3cc(F)ccc3C#N)c2)CC1 ZINC001204565122 1090999598 /nfs/dbraw/zinc/99/95/98/1090999598.db2.gz URLIKHUPYPILES-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2CCCc2ccccc2F)C1=O ZINC001273037301 1091011423 /nfs/dbraw/zinc/01/14/23/1091011423.db2.gz XITMRJRMCUUJFY-IBGZPJMESA-N 0 3 316.420 3.011 20 30 DGEDHN C=CCCC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001204753021 1091031116 /nfs/dbraw/zinc/03/11/16/1091031116.db2.gz FABXORFKNOOODL-LCYFTJDESA-N 0 3 305.249 3.100 20 30 DGEDHN Cc1cccc(CN2CCN(c3ccc(C#N)cc3)CC2)c1C ZINC001205089619 1091100393 /nfs/dbraw/zinc/10/03/93/1091100393.db2.gz USUJUFKZUMMYQX-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(F)c(C)c1)C2 ZINC001205187187 1091123903 /nfs/dbraw/zinc/12/39/03/1091123903.db2.gz QVHYNGNAQVMWCA-HKUYNNGSSA-N 0 3 319.420 3.460 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(F)c(C)c1)C2 ZINC001205187190 1091123966 /nfs/dbraw/zinc/12/39/66/1091123966.db2.gz QVHYNGNAQVMWCA-PKOBYXMFSA-N 0 3 319.420 3.460 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(F)c1C#N ZINC001205261793 1091154986 /nfs/dbraw/zinc/15/49/86/1091154986.db2.gz MWYOSBRTQMFEQZ-YWZLYKJASA-N 0 3 323.415 3.307 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108150627 1091155991 /nfs/dbraw/zinc/15/59/91/1091155991.db2.gz GYKAIMWADWZFNL-QFBILLFUSA-N 0 3 324.509 3.232 20 30 DGEDHN COc1cc(CN2CCC(S)CC2)ccc1OC(F)F ZINC001138554187 1091228045 /nfs/dbraw/zinc/22/80/45/1091228045.db2.gz WUZGEZKPTVCYBU-UHFFFAOYSA-N 0 3 303.374 3.191 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001138559416 1091228166 /nfs/dbraw/zinc/22/81/66/1091228166.db2.gz UBGYWPDQDVMLJL-FQEVSTJZSA-N 0 3 307.393 3.352 20 30 DGEDHN C=CCCCC(=O)NC[C@]1(C)CN(C[C@H](C)CC(C)C)CCO1 ZINC001108169545 1091260755 /nfs/dbraw/zinc/26/07/55/1091260755.db2.gz QMJAOMOOKWFWTH-IEBWSBKVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1[O-] ZINC001138629994 1091263238 /nfs/dbraw/zinc/26/32/38/1091263238.db2.gz MPIBTBUAGPPUHD-UHFFFAOYSA-N 0 3 324.424 3.149 20 30 DGEDHN C=C(C)COc1ccccc1CN(CC)CCCC(=O)OC ZINC001138661969 1091278454 /nfs/dbraw/zinc/27/84/54/1091278454.db2.gz KUFQMYWRSNSBNC-UHFFFAOYSA-N 0 3 305.418 3.417 20 30 DGEDHN C#C[C@H](C)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001205744706 1091329467 /nfs/dbraw/zinc/32/94/67/1091329467.db2.gz LLBLHZCFXBDQJY-AWEZNQCLSA-N 0 3 314.429 3.091 20 30 DGEDHN Cc1cccnc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001205821178 1091366785 /nfs/dbraw/zinc/36/67/85/1091366785.db2.gz DWSSJMSWONWDKF-GOSISDBHSA-N 0 3 307.397 3.305 20 30 DGEDHN CCCCCCCC[C@@H](O)CCC(=O)N1CCNC(C)(C)C1 ZINC001294492934 1091403343 /nfs/dbraw/zinc/40/33/43/1091403343.db2.gz QNAZVSKQCNVPSO-MRXNPFEDSA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccsc2C)CC1 ZINC001164468016 1091409998 /nfs/dbraw/zinc/40/99/98/1091409998.db2.gz CNZMNYWSKKRRAW-UHFFFAOYSA-N 0 3 312.866 3.299 20 30 DGEDHN C=CCOc1ccccc1CN1CCC(c2ncccn2)CC1 ZINC001139029879 1091424509 /nfs/dbraw/zinc/42/45/09/1091424509.db2.gz UDPSSYUZTJBTRZ-UHFFFAOYSA-N 0 3 309.413 3.421 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001276396926 1091428573 /nfs/dbraw/zinc/42/85/73/1091428573.db2.gz JXSKEMDYEHAFPS-INIZCTEOSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC(CNCc2nccs2)CC1 ZINC001205988662 1091437082 /nfs/dbraw/zinc/43/70/82/1091437082.db2.gz JMEIOKPYJJXGDW-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001084341514 1091474890 /nfs/dbraw/zinc/47/48/90/1091474890.db2.gz QIYWICXUTLUHAN-GVDBMIGSSA-N 0 3 302.462 3.066 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001084330050 1091477779 /nfs/dbraw/zinc/47/77/79/1091477779.db2.gz XBVLRBUWGOTTFL-HUUCEWRRSA-N 0 3 304.459 3.169 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sc(C)cc3C)[C@@H]2C1 ZINC001084375407 1091485089 /nfs/dbraw/zinc/48/50/89/1091485089.db2.gz ITPVNNCADWKUAF-HUUCEWRRSA-N 0 3 304.459 3.087 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3c(ccn3C)c2)no1 ZINC001206094371 1091489601 /nfs/dbraw/zinc/48/96/01/1091489601.db2.gz JUSRZZDZDZXKEL-UHFFFAOYSA-N 0 3 308.385 3.337 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001206094922 1091491178 /nfs/dbraw/zinc/49/11/78/1091491178.db2.gz ZQVNHKKDHCMWPR-UHFFFAOYSA-N 0 3 309.291 3.263 20 30 DGEDHN C=CCCCC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001206106063 1091493945 /nfs/dbraw/zinc/49/39/45/1091493945.db2.gz UJJVBWODDKQXDT-UVTDQMKNSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cccs3)[C@@H]2C1 ZINC001084694658 1091540778 /nfs/dbraw/zinc/54/07/78/1091540778.db2.gz NSTLAYMAOWIDPY-ZMSDIMECSA-N 0 3 318.486 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cc(C)oc3C)[C@@H]2C1 ZINC001084723761 1091549223 /nfs/dbraw/zinc/54/92/23/1091549223.db2.gz XJKIJKKAJMRALA-YXJHDRRASA-N 0 3 316.445 3.109 20 30 DGEDHN Cn1cc(-c2ccc(CNCc3ccc(C#N)c(F)c3)cc2)cn1 ZINC001206294040 1091564890 /nfs/dbraw/zinc/56/48/90/1091564890.db2.gz UIKWHDOKXOOQPN-UHFFFAOYSA-N 0 3 320.371 3.388 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc4ccccc4o3)[C@@H]2C1 ZINC001084813263 1091579774 /nfs/dbraw/zinc/57/97/74/1091579774.db2.gz UUIMWVBXOZDAEM-HZPDHXFCSA-N 0 3 310.397 3.155 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084811950 1091580137 /nfs/dbraw/zinc/58/01/37/1091580137.db2.gz HAHGGPHZYDVPDB-QXAKKESOSA-N 0 3 312.457 3.289 20 30 DGEDHN C#C[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000820347499 1091623804 /nfs/dbraw/zinc/62/38/04/1091623804.db2.gz LZOGNLYZAOZVIC-KYOSRNDESA-N 0 3 308.219 3.138 20 30 DGEDHN Cn1cc(-c2ccc(CNCc3ccc(CC#N)cc3)cc2)cn1 ZINC001202957420 1091635742 /nfs/dbraw/zinc/63/57/42/1091635742.db2.gz ZOXMLUCFLCAGIN-UHFFFAOYSA-N 0 3 316.408 3.443 20 30 DGEDHN N#Cc1cccc2c(CN3CC[C@@]4(C3)CC(F)(F)CO4)c[nH]c21 ZINC001139706337 1091648252 /nfs/dbraw/zinc/64/82/52/1091648252.db2.gz RULXMXBBGKGNCQ-INIZCTEOSA-N 0 3 317.339 3.040 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085053834 1091652206 /nfs/dbraw/zinc/65/22/06/1091652206.db2.gz SSAQBNHYHRCOIS-BNDYYXHWSA-N 0 3 324.468 3.289 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001098943826 1091656033 /nfs/dbraw/zinc/65/60/33/1091656033.db2.gz CIXLOECATPEKMG-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001098944248 1091656566 /nfs/dbraw/zinc/65/65/66/1091656566.db2.gz KFWIDAHQIPYRDI-QLGNDSFESA-N 0 3 322.493 3.152 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1cc(=O)n(C)c2ccccc12 ZINC001139756860 1091666158 /nfs/dbraw/zinc/66/61/58/1091666158.db2.gz FKUIZNODGIWENE-UHFFFAOYSA-N 0 3 317.392 3.042 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3)C[C@@H]21 ZINC001085087675 1091666590 /nfs/dbraw/zinc/66/65/90/1091666590.db2.gz OTTBLQFOLGHYAH-RLLQIKCJSA-N 0 3 324.468 3.126 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)C[C@@H]21 ZINC001085103598 1091671882 /nfs/dbraw/zinc/67/18/82/1091671882.db2.gz BCGDYYHQVLUNKA-SQNIBIBYSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCCCC ZINC001098961075 1091687198 /nfs/dbraw/zinc/68/71/98/1091687198.db2.gz VKDGCPAEAYJFPV-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001085162873 1091691452 /nfs/dbraw/zinc/69/14/52/1091691452.db2.gz CTTGHULVLPTLKT-CHWSQXEVSA-N 0 3 312.885 3.438 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2nc(C)sc2c1 ZINC001139870113 1091697494 /nfs/dbraw/zinc/69/74/94/1091697494.db2.gz YRHVUWCZJCSBOF-UHFFFAOYSA-N 0 3 317.458 3.185 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1sccc1F ZINC001085188132 1091699982 /nfs/dbraw/zinc/69/99/82/1091699982.db2.gz MQRNOOGZTHHHFT-VXGBXAGGSA-N 0 3 316.829 3.270 20 30 DGEDHN CN(Cc1c[nH]c2ncnc(Cl)c12)Cc1ccc(C#N)cc1 ZINC001139936301 1091719415 /nfs/dbraw/zinc/71/94/15/1091719415.db2.gz AQDUNGQPQQYKOA-UHFFFAOYSA-N 0 3 311.776 3.067 20 30 DGEDHN O=C1C=C2CN(Cc3sc(Cl)nc3Cl)CCC2S1 ZINC001139956097 1091724179 /nfs/dbraw/zinc/72/41/79/1091724179.db2.gz KEDSOYWJBBOSCL-ZETCQYMHSA-N 0 3 321.254 3.224 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(C)n1 ZINC001085275410 1091730869 /nfs/dbraw/zinc/73/08/69/1091730869.db2.gz FDXSPVXKALBIRD-HUUCEWRRSA-N 0 3 321.852 3.082 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(C[C@@H]4CCO)CC3)c2c1 ZINC001140109971 1091771712 /nfs/dbraw/zinc/77/17/12/1091771712.db2.gz COSSDQKPVVRBJE-INIZCTEOSA-N 0 3 309.413 3.024 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CCCOC4)CC3)c2c1 ZINC001140116164 1091772848 /nfs/dbraw/zinc/77/28/48/1091772848.db2.gz TYFIZZCAMCJGQN-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001206971692 1091810489 /nfs/dbraw/zinc/81/04/89/1091810489.db2.gz XUWGRHWKZODGEP-KBAYOESNSA-N 0 3 322.493 3.127 20 30 DGEDHN CC1/C(=C\c2ccc3c(c2)CCC(C)(C)O3)C(=O)c2ncnn21 ZINC000828330315 1091822656 /nfs/dbraw/zinc/82/26/56/1091822656.db2.gz ISFIVBZMWUCDMS-LUHPIMIVSA-N 0 3 309.369 3.223 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(F)c(C)cc1F ZINC001085653993 1091871516 /nfs/dbraw/zinc/87/15/16/1091871516.db2.gz FPOAFWOXNWJINU-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001085672976 1091879658 /nfs/dbraw/zinc/87/96/58/1091879658.db2.gz MJTQWXMKKSCCFN-MJGOQNOKSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(C)C[C@H]1CCN1CC(C)C ZINC001085678396 1091880249 /nfs/dbraw/zinc/88/02/49/1091880249.db2.gz IQLKSAJPLWSSPD-MRXNPFEDSA-N 0 3 316.445 3.054 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706260 1091893586 /nfs/dbraw/zinc/89/35/86/1091893586.db2.gz KWBCCVOVFLRFPY-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706604 1091893642 /nfs/dbraw/zinc/89/36/42/1091893642.db2.gz SSJREMCLVXBVHF-AWEZNQCLSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001085725328 1091898722 /nfs/dbraw/zinc/89/87/22/1091898722.db2.gz SMCKTNRVMCTQIF-MRXNPFEDSA-N 0 3 306.837 3.371 20 30 DGEDHN COC[C@@]12CCC[C@@H]1CN(Cc1cc(C#N)ccc1Cl)C2 ZINC001140598839 1091926486 /nfs/dbraw/zinc/92/64/86/1091926486.db2.gz GJSXKUQRIRXPLZ-WBVHZDCISA-N 0 3 304.821 3.460 20 30 DGEDHN CC(C)(C)CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207335744 1091928405 /nfs/dbraw/zinc/92/84/05/1091928405.db2.gz PPTXBRKNDNFFDF-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN N#Cc1ccc(Cl)c(CN2CC[C@H](N3CCCC3)[C@@H](F)C2)c1 ZINC001140603300 1091929550 /nfs/dbraw/zinc/92/95/50/1091929550.db2.gz IOOWOCTVVJLOIY-IRXDYDNUSA-N 0 3 321.827 3.220 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001085779851 1091930017 /nfs/dbraw/zinc/93/00/17/1091930017.db2.gz DXVXUZLDYBXCDA-MRXNPFEDSA-N 0 3 303.450 3.100 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CCC)cc1 ZINC001085792440 1091936837 /nfs/dbraw/zinc/93/68/37/1091936837.db2.gz KXIZVYZVNNZHGU-GOSISDBHSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1-n1cccc1 ZINC001085795843 1091941462 /nfs/dbraw/zinc/94/14/62/1091941462.db2.gz BZLMMWDDRXPTMB-QGZVFWFLSA-N 0 3 323.440 3.200 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1-n1cccc1 ZINC001085795842 1091942183 /nfs/dbraw/zinc/94/21/83/1091942183.db2.gz BZLMMWDDRXPTMB-KRWDZBQOSA-N 0 3 323.440 3.200 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CN1CCC[C@H](C#N)CC1 ZINC001207376108 1091944926 /nfs/dbraw/zinc/94/49/26/1091944926.db2.gz UBFVMAIDVUFNTC-GJZGRUSLSA-N 0 3 307.438 3.012 20 30 DGEDHN CN(C)[C@H]1CCOc2c(Nc3cnc(C#N)c(F)c3)cccc21 ZINC001203063031 1091984408 /nfs/dbraw/zinc/98/44/08/1091984408.db2.gz WRADEJMUXYVFNF-INIZCTEOSA-N 0 3 312.348 3.221 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001085864573 1091990247 /nfs/dbraw/zinc/99/02/47/1091990247.db2.gz DWZVZCUCJGTKKK-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN Cc1cccc(CCN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001207539389 1092015445 /nfs/dbraw/zinc/01/54/45/1092015445.db2.gz SCFYAHDCIKTKSM-UHFFFAOYSA-N 0 3 305.425 3.231 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207566753 1092024340 /nfs/dbraw/zinc/02/43/40/1092024340.db2.gz VAUKEUDIQBTVRV-BRRGFWCPSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085946435 1092034881 /nfs/dbraw/zinc/03/48/81/1092034881.db2.gz IUTFRSKNQOVXQY-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085954840 1092042976 /nfs/dbraw/zinc/04/29/76/1092042976.db2.gz KVSNXWDGVHGTPX-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961810 1092057811 /nfs/dbraw/zinc/05/78/11/1092057811.db2.gz PKIOBQAFROMEET-INIZCTEOSA-N 0 3 308.372 3.077 20 30 DGEDHN CN(C)c1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001140922560 1092065838 /nfs/dbraw/zinc/06/58/38/1092065838.db2.gz UNQBOYJJXKJSSQ-HNNXBMFYSA-N 0 3 322.861 3.180 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ccc(C)cc21 ZINC001085990576 1092077416 /nfs/dbraw/zinc/07/74/16/1092077416.db2.gz SVFZVFJIHPMYBJ-HNNXBMFYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001085994271 1092084842 /nfs/dbraw/zinc/08/48/42/1092084842.db2.gz HRGCKISEZZVKHJ-VNCLNFNDSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108235229 1092110718 /nfs/dbraw/zinc/11/07/18/1092110718.db2.gz UDZMYLWMDQAVGX-MJGOQNOKSA-N 0 3 324.509 3.375 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC001298887868 1092121783 /nfs/dbraw/zinc/12/17/83/1092121783.db2.gz NLGGWUKYZCNGSX-OXJNMPFZSA-N 0 3 318.420 3.061 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001086118615 1092135561 /nfs/dbraw/zinc/13/55/61/1092135561.db2.gz HLKYBTSDKSACHT-OAGGEKHMSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001108246164 1092147170 /nfs/dbraw/zinc/14/71/70/1092147170.db2.gz FCKFSEAPPYWMRH-LJQANCHMSA-N 0 3 324.509 3.232 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCN2C ZINC001141143303 1092150366 /nfs/dbraw/zinc/15/03/66/1092150366.db2.gz TYAIISNYPILNOJ-UHFFFAOYSA-N 0 3 307.397 3.019 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001086206779 1092162260 /nfs/dbraw/zinc/16/22/60/1092162260.db2.gz JAPLUEVNRIUGIG-GASCZTMLSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001086261227 1092181730 /nfs/dbraw/zinc/18/17/30/1092181730.db2.gz POUDSVHZEMTPNG-FZNQNYSPSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001086266906 1092184765 /nfs/dbraw/zinc/18/47/65/1092184765.db2.gz BPVIIJCAODUXLT-XBXGTLAGSA-N 0 3 318.804 3.283 20 30 DGEDHN CCc1ccccc1CN1CCN(c2cccc(C#N)c2)CC1 ZINC001141230176 1092187125 /nfs/dbraw/zinc/18/71/25/1092187125.db2.gz ZXKZIWWVXWEGHX-UHFFFAOYSA-N 0 3 305.425 3.443 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2cccnc2C)CC1 ZINC001273419524 1092203957 /nfs/dbraw/zinc/20/39/57/1092203957.db2.gz WLDOWILAVJFUFZ-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC001208176523 1092241080 /nfs/dbraw/zinc/24/10/80/1092241080.db2.gz FRZKLHIMTZWGKZ-MOPGFXCFSA-N 0 3 304.478 3.086 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001491942819 1092311238 /nfs/dbraw/zinc/31/12/38/1092311238.db2.gz GIKXEXPENGHWGO-QGZVFWFLSA-N 0 3 323.440 3.036 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001491942818 1092312529 /nfs/dbraw/zinc/31/25/29/1092312529.db2.gz GIKXEXPENGHWGO-KRWDZBQOSA-N 0 3 323.440 3.036 20 30 DGEDHN C[C@]1(O)CCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141977794 1092374393 /nfs/dbraw/zinc/37/43/93/1092374393.db2.gz PQNXLZWXLKSLLO-IBGZPJMESA-N 0 3 311.450 3.495 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](CC)CC(F)(F)F ZINC001492112817 1092384585 /nfs/dbraw/zinc/38/45/85/1092384585.db2.gz KDHVLMQPECWDDN-MNOVXSKESA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2cccc(F)c2)CC1 ZINC001492091986 1092402272 /nfs/dbraw/zinc/40/22/72/1092402272.db2.gz HOFMZZQEHRXVAK-CYBMUJFWSA-N 0 3 324.827 3.094 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCC[C@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001168866890 1092403439 /nfs/dbraw/zinc/40/34/39/1092403439.db2.gz VGVWHGOEQQTSEE-RBSFLKMASA-N 0 3 307.438 3.010 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001168975306 1092474703 /nfs/dbraw/zinc/47/47/03/1092474703.db2.gz UPROCHHYPYXXIJ-UHFFFAOYSA-N 0 3 308.853 3.446 20 30 DGEDHN CN1CC=C(Nc2ccc(Br)c(F)c2C#N)CC1 ZINC001208910212 1092580076 /nfs/dbraw/zinc/58/00/76/1092580076.db2.gz LTSQNJKOKWGLHP-UHFFFAOYSA-N 0 3 310.170 3.091 20 30 DGEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CCC2CCC2)CC1 ZINC001169198367 1092583042 /nfs/dbraw/zinc/58/30/42/1092583042.db2.gz WPZLADFKCUWGQS-SFHVURJKSA-N 0 3 301.409 3.198 20 30 DGEDHN C=CCOC[C@@H]1CCC[C@@]12CN(CC(C)(C)C(=O)CC)CCO2 ZINC001208919206 1092584413 /nfs/dbraw/zinc/58/44/13/1092584413.db2.gz YAURSNMMOOIMLP-QFBILLFUSA-N 0 3 323.477 3.065 20 30 DGEDHN N#Cc1ccc2c(CN3CC[C@]4(C3)CC(F)(F)CO4)c[nH]c2c1 ZINC001142922727 1092587045 /nfs/dbraw/zinc/58/70/45/1092587045.db2.gz SGRHVRUTGBDZGJ-MRXNPFEDSA-N 0 3 317.339 3.040 20 30 DGEDHN COc1cc(C)c(CN2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001142936112 1092592088 /nfs/dbraw/zinc/59/20/88/1092592088.db2.gz OAQIKZZXZWKZOO-INIZCTEOSA-N 0 3 303.427 3.086 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001208932583 1092598296 /nfs/dbraw/zinc/59/82/96/1092598296.db2.gz GDKZGMZOSJXHOR-BHIYHBOVSA-N 0 3 314.473 3.439 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001169248513 1092616426 /nfs/dbraw/zinc/61/64/26/1092616426.db2.gz VBRKMNXQHNFUDU-HZPDHXFCSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Br)CNCCCNC(=O)C(CC)(CC)CC ZINC001169314132 1092633818 /nfs/dbraw/zinc/63/38/18/1092633818.db2.gz SAQYSEBFMUXVEN-UHFFFAOYSA-N 0 3 319.287 3.207 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001209146068 1092670912 /nfs/dbraw/zinc/67/09/12/1092670912.db2.gz KIBHZNDQWPLDSX-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001209185324 1092686330 /nfs/dbraw/zinc/68/63/30/1092686330.db2.gz WEZRZCFONHBDBD-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209192857 1092689834 /nfs/dbraw/zinc/68/98/34/1092689834.db2.gz CREPXQRWQPAFMW-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CC2CCCCCC2)C1 ZINC001150380749 1092775137 /nfs/dbraw/zinc/77/51/37/1092775137.db2.gz YZNKWWOXOBINNB-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001209561035 1092823497 /nfs/dbraw/zinc/82/34/97/1092823497.db2.gz DJLQTCYAWBEDSN-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H](C)CC(C)C)CC1 ZINC001151374798 1092890969 /nfs/dbraw/zinc/89/09/69/1092890969.db2.gz NQQOXFDSCWWBBT-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(OC)c(F)c2)no1 ZINC001211434851 1093492450 /nfs/dbraw/zinc/49/24/50/1093492450.db2.gz KKXQOZFENPHWCZ-UHFFFAOYSA-N 0 3 317.364 3.383 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)CC=C)[C@H](OC)C1 ZINC001213497968 1093596647 /nfs/dbraw/zinc/59/66/47/1093596647.db2.gz QCBYAHFZVUNFBG-IAGOWNOFSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)CC(C)C)[C@H](OC)C1 ZINC001213633857 1093631457 /nfs/dbraw/zinc/63/14/57/1093631457.db2.gz LMZIBYQGJJSGNZ-KZNAEPCWSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC2(C)CC2)[C@H](OC)C1 ZINC001213669784 1093639143 /nfs/dbraw/zinc/63/91/43/1093639143.db2.gz RKEPFRMQDDPDJL-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001214302228 1093752947 /nfs/dbraw/zinc/75/29/47/1093752947.db2.gz XJNQZFSXOXWSBN-DGCLKSJQSA-N 0 3 312.866 3.304 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccnc(Cl)c2)C1 ZINC001214741628 1093844625 /nfs/dbraw/zinc/84/46/25/1093844625.db2.gz UTAGJFZDPAZJNN-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H](CC)CCCC)[C@H]2C1 ZINC001217344786 1094381703 /nfs/dbraw/zinc/38/17/03/1094381703.db2.gz ZWZMGZIOUXDWQW-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]([C@H]3CCCN3CCF)C2)CCC1 ZINC001120429936 1094428114 /nfs/dbraw/zinc/42/81/14/1094428114.db2.gz FHXFNIAQWVXFIO-DLBZAZTESA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]([C@H]3CCCN3CCF)C2)CCC1 ZINC001120429937 1094428533 /nfs/dbraw/zinc/42/85/33/1094428533.db2.gz FHXFNIAQWVXFIO-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)cc1)[C@H](C)C(C)(C)C ZINC001135178656 1094430727 /nfs/dbraw/zinc/43/07/27/1094430727.db2.gz ZBDRUDVLYJMGFW-CABCVRRESA-N 0 3 315.461 3.082 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C\c1ccco1)C2 ZINC001120521961 1094446897 /nfs/dbraw/zinc/44/68/97/1094446897.db2.gz BBBMAQWNOWPHQZ-PLNGDYQASA-N 0 3 320.820 3.062 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135235099 1094453665 /nfs/dbraw/zinc/45/36/65/1094453665.db2.gz GWQMXOCQBBMEEJ-KGLIPLIRSA-N 0 3 321.490 3.018 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001135236457 1094454934 /nfs/dbraw/zinc/45/49/34/1094454934.db2.gz SLEFKPMSJRYJJU-JNBVNVQXSA-N 0 3 307.265 3.391 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OCc1ccc(CCc2ccccc2)cc1 ZINC001217830416 1094501082 /nfs/dbraw/zinc/50/10/82/1094501082.db2.gz FYLAJVGYYDMMGE-VQTJNVASSA-N 0 3 306.409 3.100 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OCc1ccc(CCc2ccccc2)cc1 ZINC001217830417 1094501512 /nfs/dbraw/zinc/50/15/12/1094501512.db2.gz FYLAJVGYYDMMGE-WOJBJXKFSA-N 0 3 306.409 3.100 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001135358526 1094501952 /nfs/dbraw/zinc/50/19/52/1094501952.db2.gz TXJMICDATGZVEC-CVEARBPZSA-N 0 3 320.481 3.193 20 30 DGEDHN CCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2ccccc2C#N)CC1 ZINC001135398207 1094516987 /nfs/dbraw/zinc/51/69/87/1094516987.db2.gz IMQSJYQKOGIEGG-HUUCEWRRSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@H](C)C(C)C)C2 ZINC001120793877 1094525989 /nfs/dbraw/zinc/52/59/89/1094525989.db2.gz JTEROZCLDISVGA-VPCQXRJPSA-N 0 3 312.885 3.438 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2ncc(C)s2)C1 ZINC001135427265 1094535319 /nfs/dbraw/zinc/53/53/19/1094535319.db2.gz OSJDPRXWFITEQY-STQMWFEESA-N 0 3 321.490 3.181 20 30 DGEDHN Cc1cc(F)cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC001120877381 1094545378 /nfs/dbraw/zinc/54/53/78/1094545378.db2.gz GWGUWABENBWJDO-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H]1CCC ZINC001121496242 1094699401 /nfs/dbraw/zinc/69/94/01/1094699401.db2.gz BERPFWNUHYPTNI-JKSUJKDBSA-N 0 3 317.481 3.042 20 30 DGEDHN CC(C)[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC001336699856 1094702599 /nfs/dbraw/zinc/70/25/99/1094702599.db2.gz OEHVCIZDKNKNQK-IBGZPJMESA-N 0 3 322.412 3.269 20 30 DGEDHN CCC[C@](C)(CC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001135842805 1094706088 /nfs/dbraw/zinc/70/60/88/1094706088.db2.gz CEGJAMRGFYWGPC-SFHVURJKSA-N 0 3 319.424 3.120 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1N[C@H]1CN2CCC1CC2 ZINC001336780415 1094736375 /nfs/dbraw/zinc/73/63/75/1094736375.db2.gz JWGTYUUIOCAENG-HNNXBMFYSA-N 0 3 312.804 3.266 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1(C(C)C)CC1)C2 ZINC001121747248 1094763036 /nfs/dbraw/zinc/76/30/36/1094763036.db2.gz IHKAPESXVDUBIX-UHFFFAOYSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1C ZINC001103833275 1094766642 /nfs/dbraw/zinc/76/66/42/1094766642.db2.gz UIIGKEJAQSCVHD-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(COCC2CC2)c1 ZINC001121858868 1094797191 /nfs/dbraw/zinc/79/71/91/1094797191.db2.gz XWGAPEFADZWHEN-KRWDZBQOSA-N 0 3 302.418 3.235 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC001121914437 1094824134 /nfs/dbraw/zinc/82/41/34/1094824134.db2.gz SRTQBKVZACSYSA-KRWDZBQOSA-N 0 3 301.434 3.299 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001121933253 1094831785 /nfs/dbraw/zinc/83/17/85/1094831785.db2.gz KTLFMUNVYXZBPU-IAGOWNOFSA-N 0 3 304.409 3.043 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001121933255 1094831908 /nfs/dbraw/zinc/83/19/08/1094831908.db2.gz KTLFMUNVYXZBPU-SJORKVTESA-N 0 3 304.409 3.043 20 30 DGEDHN C=CCCCC(=O)N1CCO[C@@H]2CN(CCCCCCC)C[C@@H]21 ZINC001218557602 1094833360 /nfs/dbraw/zinc/83/33/60/1094833360.db2.gz FOAKJZFEMWZZRL-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccccc1-n1cccn1 ZINC001218820275 1094877297 /nfs/dbraw/zinc/87/72/97/1094877297.db2.gz SSGGMHHTHWXKCO-HNNXBMFYSA-N 0 3 312.417 3.275 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccc(CC#N)n1 ZINC001122131174 1094908023 /nfs/dbraw/zinc/90/80/23/1094908023.db2.gz ZARIQSQNVRSFGE-OAHLLOKOSA-N 0 3 302.422 3.164 20 30 DGEDHN CCCCCCCCCC(=O)N1CCO[C@@H]2CN(CCC)C[C@@H]21 ZINC001219008352 1094927632 /nfs/dbraw/zinc/92/76/32/1094927632.db2.gz FKAGMVKKMKRFIH-ZWKOTPCHSA-N 0 3 324.509 3.449 20 30 DGEDHN CCCCCCCC[C@@H](C)C(=O)N1CCC2(CC1)CNCCO2 ZINC001122234964 1094931610 /nfs/dbraw/zinc/93/16/10/1094931610.db2.gz WXKDXMVDYKAINB-QGZVFWFLSA-N 0 3 324.509 3.354 20 30 DGEDHN C=CCN1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001337321108 1094932461 /nfs/dbraw/zinc/93/24/61/1094932461.db2.gz CTQBSPORBQESFJ-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN C=CCCCN(CC)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001122404447 1094969995 /nfs/dbraw/zinc/96/99/95/1094969995.db2.gz XRBMHZKSYVMRLN-CQSZACIVSA-N 0 3 309.841 3.248 20 30 DGEDHN N#C[C@H](NC(=O)[C@H]1CCC[C@H](c2ccccc2)N1)c1ccccc1 ZINC001219557620 1094988732 /nfs/dbraw/zinc/98/87/32/1094988732.db2.gz BTLKFGYDWVTQMY-QRVBRYPASA-N 0 3 319.408 3.251 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001111935623 1095017520 /nfs/dbraw/zinc/01/75/20/1095017520.db2.gz QNBPGUNVPVQYNS-ZWOKBUDYSA-N 0 3 318.505 3.443 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001136492306 1095053223 /nfs/dbraw/zinc/05/32/23/1095053223.db2.gz XRSRROFLUCPRLQ-KSZLIROESA-N 0 3 324.509 3.353 20 30 DGEDHN CC1(CCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)CC1 ZINC001122898111 1095095196 /nfs/dbraw/zinc/09/51/96/1095095196.db2.gz RPCBTDSTOPEUET-AWEZNQCLSA-N 0 3 318.804 3.245 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001171010724 1095123948 /nfs/dbraw/zinc/12/39/48/1095123948.db2.gz UORAURHTACDLEE-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN N=C(N[C@H]1CCc2c(Cl)cccc2C1)c1ccc(F)cn1 ZINC001171017718 1095134439 /nfs/dbraw/zinc/13/44/39/1095134439.db2.gz KKEARLXZEWKFQX-LBPRGKRZSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCc1sccc1Cl ZINC001220821480 1095160244 /nfs/dbraw/zinc/16/02/44/1095160244.db2.gz KZSDURWQWDTDQR-LBPRGKRZSA-N 0 3 300.855 3.482 20 30 DGEDHN CC[C@@H](F)C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001123142083 1095172049 /nfs/dbraw/zinc/17/20/49/1095172049.db2.gz UWIZZNQQUXGTJO-MRXNPFEDSA-N 0 3 318.392 3.084 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc[nH]c2C)CCCCC1 ZINC001115471231 1095235921 /nfs/dbraw/zinc/23/59/21/1095235921.db2.gz CMKNICRFKYRIKE-UHFFFAOYSA-N 0 3 309.841 3.098 20 30 DGEDHN CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001221292870 1095236189 /nfs/dbraw/zinc/23/61/89/1095236189.db2.gz VGQAUIYMSVMJTL-ZIFCJYIRSA-N 0 3 313.445 3.314 20 30 DGEDHN O=C1C=C2CN(Cc3nc4ccccc4s3)CCC2S1 ZINC001136949943 1095250413 /nfs/dbraw/zinc/25/04/13/1095250413.db2.gz LXOMGOAXFXHFHX-LBPRGKRZSA-N 0 3 302.424 3.070 20 30 DGEDHN C=CC[C@@H](NC(=O)[C@@H](NC)[C@@H](C)OC(C)(C)C)c1ccccc1 ZINC001221361771 1095250472 /nfs/dbraw/zinc/25/04/72/1095250472.db2.gz YGUGTLQWGIKNGU-OIISXLGYSA-N 0 3 318.461 3.212 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCCC(C)(C)C)[C@@H]2C1 ZINC001221572320 1095304128 /nfs/dbraw/zinc/30/41/28/1095304128.db2.gz ZDCOMDVCOKCVOM-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](CC)CCCC)[C@@H]2C1 ZINC001221701165 1095330748 /nfs/dbraw/zinc/33/07/48/1095330748.db2.gz GFQZHBZYAJNRFZ-RCCFBDPRSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)CC1 ZINC001221795024 1095357372 /nfs/dbraw/zinc/35/73/72/1095357372.db2.gz FYXSWIPYXKJAEZ-RTBURBONSA-N 0 3 324.468 3.466 20 30 DGEDHN N=C(N[C@@H]1CCc2cc(Cl)ccc2C1)c1ccc(F)cn1 ZINC001171100177 1095361169 /nfs/dbraw/zinc/36/11/69/1095361169.db2.gz ORYUZLJQBZXYDD-CQSZACIVSA-N 0 3 303.768 3.137 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccnc(C)c2)CCCCC1 ZINC001115781760 1095384720 /nfs/dbraw/zinc/38/47/20/1095384720.db2.gz OHRFPNVHCVSCLB-UHFFFAOYSA-N 0 3 321.852 3.165 20 30 DGEDHN CCCCCCCCCCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221974122 1095402702 /nfs/dbraw/zinc/40/27/02/1095402702.db2.gz ZWTJCPIOPQKGFP-QZTJIDSGSA-N 0 3 324.509 3.042 20 30 DGEDHN CCCCCCCCCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001221975113 1095402936 /nfs/dbraw/zinc/40/29/36/1095402936.db2.gz UFCLJNXNXZYNFG-QZTJIDSGSA-N 0 3 324.509 3.042 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCC3CCCC3)[C@@H]2C1 ZINC001222057067 1095416554 /nfs/dbraw/zinc/41/65/54/1095416554.db2.gz RRFXUZJQUPOMCW-QZTJIDSGSA-N 0 3 304.478 3.456 20 30 DGEDHN N#Cc1cccnc1NCCNCc1ccc(-c2ccccc2)o1 ZINC001116013783 1095437169 /nfs/dbraw/zinc/43/71/69/1095437169.db2.gz QSMLHHJPDZVAFJ-UHFFFAOYSA-N 0 3 318.380 3.415 20 30 DGEDHN C=CCN(Cc1cc(I)c[nH]1)C(C)(C)C ZINC001144407381 1095641719 /nfs/dbraw/zinc/64/17/19/1095641719.db2.gz RXZRQNPSDZQIKH-UHFFFAOYSA-N 0 3 318.202 3.406 20 30 DGEDHN C[C@@H](CNc1cccc(CC#N)n1)N1CCc2ccccc2C1 ZINC001116662385 1095629655 /nfs/dbraw/zinc/62/96/55/1095629655.db2.gz WMIAXOJLBLFPIU-HNNXBMFYSA-N 0 3 306.413 3.006 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC001171187647 1095671329 /nfs/dbraw/zinc/67/13/29/1095671329.db2.gz NERRQDKCAWZUBB-CQSZACIVSA-N 0 3 300.874 3.441 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(CC2CCC2)cn1 ZINC001171197836 1095713733 /nfs/dbraw/zinc/71/37/33/1095713733.db2.gz DEKSUOJGUIJNOS-OAHLLOKOSA-N 0 3 308.429 3.276 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC001339787507 1095731547 /nfs/dbraw/zinc/73/15/47/1095731547.db2.gz GDLWMVFZEOMBNB-RHSMWYFYSA-N 0 3 304.434 3.335 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCC[C@@H](C)CC)C[C@@H]21 ZINC001222762587 1095745614 /nfs/dbraw/zinc/74/56/14/1095745614.db2.gz CPUSUJZFCNEHNG-KSZLIROESA-N 0 3 304.478 3.149 20 30 DGEDHN CCCC[C@H](CC)CN1CCC12CN(Cc1[nH]ccc1C#N)C2 ZINC001276837747 1095752482 /nfs/dbraw/zinc/75/24/82/1095752482.db2.gz FXBNEERAXDMMFE-INIZCTEOSA-N 0 3 314.477 3.363 20 30 DGEDHN Cc1nc([C@H]2CCCN([C@H](C)Cc3cccc(C#N)c3)C2)no1 ZINC001171208540 1095764956 /nfs/dbraw/zinc/76/49/56/1095764956.db2.gz DBROROLVGYWHDH-DYVFJYSZSA-N 0 3 310.401 3.060 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2ccc(C#N)cc2C1 ZINC001171208831 1095767546 /nfs/dbraw/zinc/76/75/46/1095767546.db2.gz FOKTWEHWXMSTLC-OAHLLOKOSA-N 0 3 301.393 3.419 20 30 DGEDHN O=C1C=C2CN(Cc3cc(F)c(F)cc3Cl)CCC2S1 ZINC001144722791 1095789904 /nfs/dbraw/zinc/78/99/04/1095789904.db2.gz CFOIOPPWTCVUQR-ZDUSSCGKSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001276860722 1095848740 /nfs/dbraw/zinc/84/87/40/1095848740.db2.gz LAVTZRJEUPLPMA-SFHVURJKSA-N 0 3 300.446 3.222 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccsc2Cl)C1 ZINC001091267425 1095868624 /nfs/dbraw/zinc/86/86/24/1095868624.db2.gz KLZPHRPWKFTXLV-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C[C@@H](O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)N2C)c1ccccc1 ZINC001223309990 1095930731 /nfs/dbraw/zinc/93/07/31/1095930731.db2.gz BVZVYMDTDKKWIA-QTMHVTGLSA-N 0 3 315.413 3.097 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001223311873 1095933212 /nfs/dbraw/zinc/93/32/12/1095933212.db2.gz NPFHNFDKCCMCOF-CQSZACIVSA-N 0 3 318.864 3.341 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC001340450351 1095955936 /nfs/dbraw/zinc/95/59/36/1095955936.db2.gz GOTGZNDNWARWEA-CQSZACIVSA-N 0 3 306.406 3.105 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223564063 1096000843 /nfs/dbraw/zinc/00/08/43/1096000843.db2.gz SPKSORVPVYBRLD-ZACQAIPSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N(C)CCC(=O)c1cccs1 ZINC001160928526 1096007610 /nfs/dbraw/zinc/00/76/10/1096007610.db2.gz FCPJXHBSCCURBV-AWEZNQCLSA-N 0 3 322.474 3.243 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](CCC)C(C)C)C[C@@H]21 ZINC001223613243 1096015063 /nfs/dbraw/zinc/01/50/63/1096015063.db2.gz DWTZZVYJYAUYJK-SQNIBIBYSA-N 0 3 304.478 3.005 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@](C)(CC)CCC)C[C@@H]21 ZINC001223764235 1096056616 /nfs/dbraw/zinc/05/66/16/1096056616.db2.gz WGMZKWZXRRVPPQ-AOIWGVFYSA-N 0 3 304.478 3.149 20 30 DGEDHN CC(C)c1cccc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001146622877 1096070772 /nfs/dbraw/zinc/07/07/72/1096070772.db2.gz CKBJGCUWCKBYNI-UHFFFAOYSA-N 0 3 321.424 3.201 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001276940043 1096119479 /nfs/dbraw/zinc/11/94/79/1096119479.db2.gz JNZDSFQBBQNYPQ-ZIAGYGMSSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC001276941258 1096121604 /nfs/dbraw/zinc/12/16/04/1096121604.db2.gz ODSLBGCDEXREMJ-YLJYHZDGSA-N 0 3 312.457 3.047 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001341193880 1096131446 /nfs/dbraw/zinc/13/14/46/1096131446.db2.gz WOHCXPFKKJYPPI-DHTNOJSISA-N 0 3 311.429 3.102 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001119296612 1096157517 /nfs/dbraw/zinc/15/75/17/1096157517.db2.gz XZGKOUNNAXRKFY-ZJUUUORDSA-N 0 3 315.870 3.088 20 30 DGEDHN Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(c1cccc(C#N)c1)C2 ZINC001276953972 1096168808 /nfs/dbraw/zinc/16/88/08/1096168808.db2.gz TXGDVZGWNHZFDS-WBVHZDCISA-N 0 3 324.453 3.034 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCCc2ccsc2)CC1 ZINC001341414413 1096172024 /nfs/dbraw/zinc/17/20/24/1096172024.db2.gz XSFKKIAOSICXMJ-UHFFFAOYSA-N 0 3 321.490 3.020 20 30 DGEDHN C#CCC1(C(=O)N2CC[C@H]3CCN(CC=C)[C@H]3C2)CCCCC1 ZINC001224271797 1096177746 /nfs/dbraw/zinc/17/77/46/1096177746.db2.gz VLQYAZCVOKVLTO-MSOLQXFVSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCCCCCCO[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)N2C ZINC001224360333 1096195860 /nfs/dbraw/zinc/19/58/60/1096195860.db2.gz PWKXHRIYNIQFHC-WNRNVDISSA-N 0 3 309.450 3.306 20 30 DGEDHN CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC001224497452 1096225776 /nfs/dbraw/zinc/22/57/76/1096225776.db2.gz ANVCDHAOSSUEQJ-IAGOWNOFSA-N 0 3 317.408 3.014 20 30 DGEDHN CC[C@H](CC(=O)NCCNCc1ccc(C#N)s1)C(C)(C)C ZINC001147473883 1096226906 /nfs/dbraw/zinc/22/69/06/1096226906.db2.gz CFMCNKFXBMMUCN-CYBMUJFWSA-N 0 3 321.490 3.288 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCC[C@H](C)CC)C2)C1 ZINC001147636952 1096249409 /nfs/dbraw/zinc/24/94/09/1096249409.db2.gz REIWHKOMWCMMCZ-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C[C@H](c1ccccn1)N1CC[C@@H](OCCc2ccc(C#N)cc2)C1 ZINC001224656431 1096258748 /nfs/dbraw/zinc/25/87/48/1096258748.db2.gz WRMIZDHSGDCLSL-VQIMIIECSA-N 0 3 321.424 3.348 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CCC)CC2CCCC2)CC1 ZINC001224739216 1096276487 /nfs/dbraw/zinc/27/64/87/1096276487.db2.gz KKDZNEBMMUYASW-IBGZPJMESA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001224740158 1096276892 /nfs/dbraw/zinc/27/68/92/1096276892.db2.gz YRIZTONPIKJOPG-MRXNPFEDSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001148124558 1096317071 /nfs/dbraw/zinc/31/70/71/1096317071.db2.gz DZSNVCULUZLGAU-CYBMUJFWSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001225275497 1096381136 /nfs/dbraw/zinc/38/11/36/1096381136.db2.gz MFYFDHOZROETIG-HZPDHXFCSA-N 0 3 321.852 3.218 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](CC)c3ccccc3)C2)C1 ZINC001148600326 1096400934 /nfs/dbraw/zinc/40/09/34/1096400934.db2.gz ZJLSIABRRQZLMJ-KRWDZBQOSA-N 0 3 312.457 3.291 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC(C)(C)CC(F)(F)F)C2)C1 ZINC001148678776 1096418831 /nfs/dbraw/zinc/41/88/31/1096418831.db2.gz JCNVMNLMEYNATJ-UHFFFAOYSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CCC)c3ccccc3)C2)C1 ZINC001148714350 1096427458 /nfs/dbraw/zinc/42/74/58/1096427458.db2.gz LIYGFAVACSVBJP-SFHVURJKSA-N 0 3 312.457 3.291 20 30 DGEDHN Cc1c(C#N)ccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1C ZINC001225512668 1096454579 /nfs/dbraw/zinc/45/45/79/1096454579.db2.gz CVBJRFBKSZLYAO-IYARVYRRSA-N 0 3 314.429 3.197 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CCCC)C(C)C)C2)C1 ZINC001148851691 1096457464 /nfs/dbraw/zinc/45/74/64/1096457464.db2.gz UKQRHBSQPSAZKO-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC2(C1)CCN(CC=C)C2)c1ccccc1 ZINC001148941436 1096469758 /nfs/dbraw/zinc/46/97/58/1096469758.db2.gz NKDXGLVQGGUCOT-IBGZPJMESA-N 0 3 324.468 3.457 20 30 DGEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)C1=CCCC1 ZINC001225639482 1096491137 /nfs/dbraw/zinc/49/11/37/1096491137.db2.gz XTBARJKYENKQMJ-WOJBJXKFSA-N 0 3 322.452 3.165 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccccc3C)C2)CC1 ZINC001086900798 1096499194 /nfs/dbraw/zinc/49/91/94/1096499194.db2.gz RIWVGFVXOFLDFI-SFHVURJKSA-N 0 3 324.468 3.335 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CCC=C)c2ccccc2)CC1 ZINC001225694301 1096506661 /nfs/dbraw/zinc/50/66/61/1096506661.db2.gz KHUSLOPOKVOALU-HXUWFJFHSA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)Nc1ccc2c(n1)CNCC2 ZINC001171372534 1096555021 /nfs/dbraw/zinc/55/50/21/1096555021.db2.gz KEFBRKDFOKDMEU-CQSZACIVSA-N 0 3 309.413 3.465 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(C(C)(C)C)c3)C[C@]2(C)C1 ZINC001092121112 1096579514 /nfs/dbraw/zinc/57/95/14/1096579514.db2.gz XYPAOPXLGKHRRF-NQIIRXRSSA-N 0 3 324.468 3.011 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C)s1 ZINC001277106568 1096634207 /nfs/dbraw/zinc/63/42/07/1096634207.db2.gz JFXWCOOFWCIXQD-NSHDSACASA-N 0 3 300.855 3.297 20 30 DGEDHN N#Cc1cccc(O)c1OC1CCN(Cc2ccccc2)CC1 ZINC001226518931 1096711024 /nfs/dbraw/zinc/71/10/24/1096711024.db2.gz WFXBTBIWDVSLAZ-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001226528067 1096714257 /nfs/dbraw/zinc/71/42/57/1096714257.db2.gz UDDZMZIWWFKAML-UHFFFAOYSA-N 0 3 304.409 3.203 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CC(F)(C2CC2)C1 ZINC001277151391 1096762784 /nfs/dbraw/zinc/76/27/84/1096762784.db2.gz GTIWFRXAFVICKP-APWZRJJASA-N 0 3 320.452 3.158 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001226796641 1096781010 /nfs/dbraw/zinc/78/10/10/1096781010.db2.gz GXFQALFPEGRTNC-FUHWJXTLSA-N 0 3 319.493 3.152 20 30 DGEDHN C=CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001277160314 1096795733 /nfs/dbraw/zinc/79/57/33/1096795733.db2.gz RGVVCZLNJFLKGD-APWZRJJASA-N 0 3 315.461 3.150 20 30 DGEDHN N#Cc1cc(C#N)cc(OC2CCN(Cc3ccccc3)CC2)c1 ZINC001226896260 1096808193 /nfs/dbraw/zinc/80/81/93/1096808193.db2.gz KMLCVFQDTGDPQQ-UHFFFAOYSA-N 0 3 317.392 3.473 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccc(F)cc2)CC1 ZINC001277165366 1096812120 /nfs/dbraw/zinc/81/21/20/1096812120.db2.gz YSLNISCPTHVHKA-KRWDZBQOSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CCCCCCCCN1CC2(C[C@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277167480 1096821055 /nfs/dbraw/zinc/82/10/55/1096821055.db2.gz XTLNACNECWXWOS-INIZCTEOSA-N 0 3 316.449 3.197 20 30 DGEDHN CCCCCCCCN1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277230674 1096967331 /nfs/dbraw/zinc/96/73/31/1096967331.db2.gz ARZXXLNXIZFFHS-QFBILLFUSA-N 0 3 317.477 3.374 20 30 DGEDHN CCCCCCCCN1CC2(C1)SCC[C@H]2C(=O)N(C)C ZINC001277232035 1096970336 /nfs/dbraw/zinc/97/03/36/1096970336.db2.gz SVMVRJQFGHSBTE-HNNXBMFYSA-N 0 3 312.523 3.243 20 30 DGEDHN Cc1nc(O[C@@H]2CCCN(C(C)C)C2)c(C#N)c(C)c1Cl ZINC001227826053 1096995541 /nfs/dbraw/zinc/99/55/41/1096995541.db2.gz JBXCOKLEDJNGDJ-CYBMUJFWSA-N 0 3 307.825 3.475 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2ccccc2c1 ZINC001171912761 1096999700 /nfs/dbraw/zinc/99/97/00/1096999700.db2.gz CUBHSKABSPCMEZ-UHFFFAOYSA-N 0 3 302.805 3.302 20 30 DGEDHN C#CCNC1(CNC(=O)CC2CCC(C(C)(C)C)CC2)CC1 ZINC001277260266 1097029058 /nfs/dbraw/zinc/02/90/58/1097029058.db2.gz YYFOSXMYQAEKTB-UHFFFAOYSA-N 0 3 304.478 3.101 20 30 DGEDHN Cc1c(C#N)cccc1O[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001228029671 1097035604 /nfs/dbraw/zinc/03/56/04/1097035604.db2.gz LOGZMOUMKQUXKO-DOTOQJQBSA-N 0 3 307.397 3.476 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228124457 1097056437 /nfs/dbraw/zinc/05/64/37/1097056437.db2.gz YADCTARTTHJLQG-FVQBIDKESA-N 0 3 321.490 3.262 20 30 DGEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1C#N ZINC001228257350 1097082746 /nfs/dbraw/zinc/08/27/46/1097082746.db2.gz HSNOYXMOSZZYKV-UHFFFAOYSA-N 0 3 317.392 3.473 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccnc(OC2CCC2)n1 ZINC001172300416 1097093228 /nfs/dbraw/zinc/09/32/28/1097093228.db2.gz WFVWESURCABLGK-CQSZACIVSA-N 0 3 322.412 3.000 20 30 DGEDHN Cc1ccnc(OC2CCN(Cc3ccccc3)CC2)c1C#N ZINC001228305988 1097093872 /nfs/dbraw/zinc/09/38/72/1097093872.db2.gz BLIQBHBLBQUEJJ-UHFFFAOYSA-N 0 3 307.397 3.305 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCOC[C@H]1Cc1ccccc1 ZINC001172312195 1097098380 /nfs/dbraw/zinc/09/83/80/1097098380.db2.gz FPMQVODKSGUHTR-LAUBAEHRSA-N 0 3 320.436 3.433 20 30 DGEDHN C[C@H](CCCC#N)NCC(=O)c1cccc(Br)c1 ZINC001172476103 1097148520 /nfs/dbraw/zinc/14/85/20/1097148520.db2.gz GYLSSMXTVKSRBP-LLVKDONJSA-N 0 3 309.207 3.304 20 30 DGEDHN CC(C)COCC[C@H](C)N1CCN(c2cccc(C#N)c2)CC1 ZINC001172485268 1097152611 /nfs/dbraw/zinc/15/26/11/1097152611.db2.gz VKJANGOAPFQQNU-KRWDZBQOSA-N 0 3 315.461 3.131 20 30 DGEDHN COC(=O)C1(C#N)CCN([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565913 1097181659 /nfs/dbraw/zinc/18/16/59/1097181659.db2.gz QBSSJKRBOTYWBN-SJORKVTESA-N 0 3 312.413 3.101 20 30 DGEDHN C=C1CCC(C(=O)NC2CCN(CCOCCCC)CC2)CC1 ZINC001228999722 1097234339 /nfs/dbraw/zinc/23/43/39/1097234339.db2.gz UXLBMUOHJVREIZ-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001203341483 1097241496 /nfs/dbraw/zinc/24/14/96/1097241496.db2.gz RJIVUOCWUXALOD-CABCVRRESA-N 0 3 319.474 3.016 20 30 DGEDHN C=CCOC1CCC(NCc2nnc(-c3ccccc3)o2)CC1 ZINC001173311184 1097408025 /nfs/dbraw/zinc/40/80/25/1097408025.db2.gz HVRKWAQHANFCAP-UHFFFAOYSA-N 0 3 313.401 3.340 20 30 DGEDHN N#CCC1CCC(N2CCN(c3cc(Cl)ccn3)CC2)CC1 ZINC001173338706 1097421938 /nfs/dbraw/zinc/42/19/38/1097421938.db2.gz HSRWYWXLUAPXGP-UHFFFAOYSA-N 0 3 318.852 3.329 20 30 DGEDHN C=CCOC1CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC001173318795 1097428377 /nfs/dbraw/zinc/42/83/77/1097428377.db2.gz MFSNRJDGVCYYQD-UHFFFAOYSA-N 0 3 317.355 3.049 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCCF)c1ccccc1 ZINC001230220952 1097459910 /nfs/dbraw/zinc/45/99/10/1097459910.db2.gz FCHHZKOQSYQIKP-KZNAEPCWSA-N 0 3 318.436 3.333 20 30 DGEDHN CC1(C#N)CCC(NCc2nc(Br)cs2)CC1 ZINC001173591670 1097466433 /nfs/dbraw/zinc/46/64/33/1097466433.db2.gz VXZOADNKKSVSLE-UHFFFAOYSA-N 0 3 314.252 3.468 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@H](CC)CCCCC)CC1 ZINC001230328684 1097477764 /nfs/dbraw/zinc/47/77/64/1097477764.db2.gz RFVPAZARFFBCTL-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN COC(=O)c1ccc(C[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC001173705921 1097498399 /nfs/dbraw/zinc/49/83/99/1097498399.db2.gz LUAAYLNRZMWRTE-AWEZNQCLSA-N 0 3 300.402 3.078 20 30 DGEDHN Cc1cc(C#N)ccc1O[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001230683462 1097556258 /nfs/dbraw/zinc/55/62/58/1097556258.db2.gz BJTYUWLEKRWKPA-DOTOQJQBSA-N 0 3 307.397 3.476 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848173 1097605891 /nfs/dbraw/zinc/60/58/91/1097605891.db2.gz BKDPZUUNLHGLKM-CABCVRRESA-N 0 3 300.512 3.241 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCc1ccc(C)cc1 ZINC001231169529 1097686938 /nfs/dbraw/zinc/68/69/38/1097686938.db2.gz IPJOJNNTMHRLSG-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCc1ccc(C)cc1 ZINC001231169766 1097687140 /nfs/dbraw/zinc/68/71/40/1097687140.db2.gz KBLMNIAECHQYNF-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCc1cccc(C)c1 ZINC001231169497 1097687392 /nfs/dbraw/zinc/68/73/92/1097687392.db2.gz HSXJCWTWNZNZJE-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN N#Cc1cc(NC2=CCCN(Cc3ccccc3)C2)ccc1O ZINC001174394307 1097689653 /nfs/dbraw/zinc/68/96/53/1097689653.db2.gz HMAFBJACGWVETP-UHFFFAOYSA-N 0 3 305.381 3.466 20 30 DGEDHN CCOC(=O)CCCc1ccc(C#N)cc1Nc1ccncc1C ZINC001174539025 1097748916 /nfs/dbraw/zinc/74/89/16/1097748916.db2.gz YHENQBQRJKTLSA-UHFFFAOYSA-N 0 3 323.396 3.313 20 30 DGEDHN C[C@H](CC(=O)NCCCNCc1ccccc1C#N)C(C)(C)C ZINC001174570735 1097764045 /nfs/dbraw/zinc/76/40/45/1097764045.db2.gz IHESRKRWAWXRIB-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001277531252 1097777572 /nfs/dbraw/zinc/77/75/72/1097777572.db2.gz OGWHNODIPJXESG-QAPCUYQASA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCOc1cccc(CN2CCC(N(CC)C(C)=O)CC2)c1 ZINC001231624587 1097794333 /nfs/dbraw/zinc/79/43/33/1097794333.db2.gz QUWMUBAPRQLVHL-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1csc(C)n1 ZINC001174684385 1097800221 /nfs/dbraw/zinc/80/02/21/1097800221.db2.gz ZWHJOBVSJUCELK-CYBMUJFWSA-N 0 3 323.506 3.428 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CCCCN3C(C)=O)CC2)c1 ZINC001231659014 1097806023 /nfs/dbraw/zinc/80/60/23/1097806023.db2.gz DEUMPXRGQSTEDV-UHFFFAOYSA-N 0 3 310.441 3.035 20 30 DGEDHN C#Cc1cccc(CN2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001231661217 1097807088 /nfs/dbraw/zinc/80/70/88/1097807088.db2.gz PZEYOGOXLUERBQ-OAQYLSRUSA-N 0 3 302.421 3.083 20 30 DGEDHN C=C[C@H](CO)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC001174797553 1097854926 /nfs/dbraw/zinc/85/49/26/1097854926.db2.gz JQZKYVLLDLQAAU-QGZVFWFLSA-N 0 3 301.361 3.041 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001231819489 1097855140 /nfs/dbraw/zinc/85/51/40/1097855140.db2.gz AELBRBXJVMYVOI-UHFFFAOYSA-N 0 3 306.413 3.031 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCF)CCCCC1 ZINC001110178210 1097904401 /nfs/dbraw/zinc/90/44/01/1097904401.db2.gz WMPQDWQZDQKLJM-IKGGRYGDSA-N 0 3 320.452 3.041 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-c2cccs2)o1 ZINC001175018274 1097911745 /nfs/dbraw/zinc/91/17/45/1097911745.db2.gz JDYAWKUMDYKFEM-UHFFFAOYSA-N 0 3 324.833 3.470 20 30 DGEDHN Cc1ccc(C(=O)NCCCNCc2ccccc2C#N)c(C)c1 ZINC001175106482 1097933405 /nfs/dbraw/zinc/93/34/05/1097933405.db2.gz VTVWCAYIHFLRCW-UHFFFAOYSA-N 0 3 321.424 3.085 20 30 DGEDHN COc1ccc(-c2c(CN3CCC[C@@H](C#N)CC3)cnn2C)cc1 ZINC001232112699 1097942070 /nfs/dbraw/zinc/94/20/70/1097942070.db2.gz ODACXCAMVXLEOP-OAHLLOKOSA-N 0 3 324.428 3.221 20 30 DGEDHN CC/C=C(/C)C(=O)N(C)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001277621640 1097953837 /nfs/dbraw/zinc/95/38/37/1097953837.db2.gz DIPXXQJYNGNIMH-JFQUDDBISA-N 0 3 324.468 3.221 20 30 DGEDHN CC/C=C(\C)C(=O)N(C)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001277621642 1097954138 /nfs/dbraw/zinc/95/41/38/1097954138.db2.gz DIPXXQJYNGNIMH-ZUNINTSYSA-N 0 3 324.468 3.221 20 30 DGEDHN COCc1cccc(CN2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001232256711 1097983660 /nfs/dbraw/zinc/98/36/60/1097983660.db2.gz BPDYGLZLCKYIAF-UHFFFAOYSA-N 0 3 321.424 3.479 20 30 DGEDHN COC(=O)c1cccc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)c1C#N ZINC001175292192 1097991540 /nfs/dbraw/zinc/99/15/40/1097991540.db2.gz BYMCYWAFSCPKGQ-FRIZHTMISA-N 0 3 312.413 3.403 20 30 DGEDHN C(#CC1CCN(Cc2n[nH]c3c2CCC3)CC1)c1ccccc1 ZINC001232429897 1098036004 /nfs/dbraw/zinc/03/60/04/1098036004.db2.gz GTZGIBNKHQESPU-UHFFFAOYSA-N 0 3 305.425 3.162 20 30 DGEDHN N#Cc1ccnc(CN(Cc2ccccc2)C2CCOCC2)c1 ZINC001232478164 1098052062 /nfs/dbraw/zinc/05/20/62/1098052062.db2.gz HNCQGCIUJCHNTC-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN COc1cccc(C[C@H]2CCCN(Cc3cc(C#N)ccn3)C2)c1 ZINC001232482551 1098054281 /nfs/dbraw/zinc/05/42/81/1098054281.db2.gz YKPQPKRUWUPDPG-GOSISDBHSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3F)C2(C)C)C1=O ZINC001175452099 1098067349 /nfs/dbraw/zinc/06/73/49/1098067349.db2.gz AMWXKAUJFHBCKB-WBVHZDCISA-N 0 3 316.420 3.181 20 30 DGEDHN COC(=O)c1cccc2c(CN3CCC[C@@H](CC#N)C3)c[nH]c21 ZINC001232708132 1098119010 /nfs/dbraw/zinc/11/90/10/1098119010.db2.gz IUDFBQOGPNPGNY-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN C=CCCN(Cc1ccccc1)Cc1ccnc(C(=O)OC)c1 ZINC001232771044 1098130910 /nfs/dbraw/zinc/13/09/10/1098130910.db2.gz USHVSPQIUOUDNE-UHFFFAOYSA-N 0 3 310.397 3.447 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCCN(Cc2ccc(C#N)s2)C1 ZINC001232843951 1098150780 /nfs/dbraw/zinc/15/07/80/1098150780.db2.gz BMWDYAWYYZNKMR-MRXNPFEDSA-N 0 3 306.431 3.175 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(O)c(C#N)c3)cc2)CC1 ZINC001175781199 1098169088 /nfs/dbraw/zinc/16/90/88/1098169088.db2.gz FUIXYGWDHFTLJW-UHFFFAOYSA-N 0 3 322.412 3.149 20 30 DGEDHN CCN1CCN(c2ccc(Nc3occ(C)c3C#N)cc2)CC1 ZINC001175780939 1098169185 /nfs/dbraw/zinc/16/91/85/1098169185.db2.gz CIHWEBPACHHSHV-UHFFFAOYSA-N 0 3 310.401 3.345 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(COC(C)C)cc1 ZINC001175836072 1098177178 /nfs/dbraw/zinc/17/71/78/1098177178.db2.gz RUWDBIPPQHHURA-UHFFFAOYSA-N 0 3 324.852 3.074 20 30 DGEDHN Cc1cc(C#N)ccc1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001233080353 1098220475 /nfs/dbraw/zinc/22/04/75/1098220475.db2.gz KTQLBRQZPITGIT-ZIAGYGMSSA-N 0 3 300.299 3.447 20 30 DGEDHN C=CCCCN1CC[C@H]2C[C@]21C(=O)NCc1c(F)cccc1F ZINC001277758353 1098221360 /nfs/dbraw/zinc/22/13/60/1098221360.db2.gz JDLCYUHGUKYYPC-SCLBCKFNSA-N 0 3 320.383 3.012 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001233079642 1098221679 /nfs/dbraw/zinc/22/16/79/1098221679.db2.gz IJBPQRBHWGZKNB-UHFFFAOYSA-N 0 3 320.436 3.436 20 30 DGEDHN Cc1cc(C#N)ccc1CN(Cc1cccnc1)C1CCOCC1 ZINC001233083044 1098222306 /nfs/dbraw/zinc/22/23/06/1098222306.db2.gz QQXKCELIPAWIFB-UHFFFAOYSA-N 0 3 321.424 3.443 20 30 DGEDHN CCc1noc(C2CCN(Cc3ccc(C#N)cc3C)CC2)n1 ZINC001233082323 1098222482 /nfs/dbraw/zinc/22/24/82/1098222482.db2.gz ICEDDLMDPDHBRG-UHFFFAOYSA-N 0 3 310.401 3.192 20 30 DGEDHN Cc1cccnc1O[C@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC001233083366 1098222653 /nfs/dbraw/zinc/22/26/53/1098222653.db2.gz HPOSTCASMWLPFL-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCc2ncnc(C3CC3)c2CC1 ZINC001233081399 1098222922 /nfs/dbraw/zinc/22/29/22/1098222922.db2.gz DIJXKEXSPHFMLL-UHFFFAOYSA-N 0 3 318.424 3.135 20 30 DGEDHN Cc1cc(O[C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)ncn1 ZINC001233083711 1098224205 /nfs/dbraw/zinc/22/42/05/1098224205.db2.gz YCHJYKHUDTVPFJ-SFHVURJKSA-N 0 3 322.412 3.009 20 30 DGEDHN COCC[C@H]1CCCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100377 1098226798 /nfs/dbraw/zinc/22/67/98/1098226798.db2.gz HJPAFYATHKZGHS-OAHLLOKOSA-N 0 3 319.424 3.154 20 30 DGEDHN CCC[C@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001277772291 1098244272 /nfs/dbraw/zinc/24/42/72/1098244272.db2.gz VOFNGKMBWLCBSV-UONOGXRCSA-N 0 3 321.490 3.383 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(Cl)c(F)c3F)CCC2S1 ZINC001233208433 1098250359 /nfs/dbraw/zinc/25/03/59/1098250359.db2.gz BODFQJUAZFZVBV-NSHDSACASA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001233500947 1098352894 /nfs/dbraw/zinc/35/28/94/1098352894.db2.gz LXQQGFJXFYGHFL-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001233504018 1098354491 /nfs/dbraw/zinc/35/44/91/1098354491.db2.gz YZIXHSXDMVTCMN-GOSISDBHSA-N 0 3 324.509 3.472 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233530410 1098366049 /nfs/dbraw/zinc/36/60/49/1098366049.db2.gz SUCMFNUTPATUGL-MRXNPFEDSA-N 0 3 305.466 3.440 20 30 DGEDHN C=CCn1cc(Nc2sc(N)c3c2CN(CCC)CC3)cn1 ZINC001176546225 1098374752 /nfs/dbraw/zinc/37/47/52/1098374752.db2.gz POYCLWAMJLMLLR-UHFFFAOYSA-N 0 3 317.462 3.225 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCOC1 ZINC001233580949 1098382753 /nfs/dbraw/zinc/38/27/53/1098382753.db2.gz OSNPSARVNHZNHR-QZTJIDSGSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001233602174 1098386751 /nfs/dbraw/zinc/38/67/51/1098386751.db2.gz ZLYXVJUPVNPQIS-KRWDZBQOSA-N 0 3 319.424 3.113 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001176727789 1098414020 /nfs/dbraw/zinc/41/40/20/1098414020.db2.gz WQELAZQCQAUJGU-CYBMUJFWSA-N 0 3 324.852 3.037 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)NCCCNCC(=C)Cl ZINC001176743646 1098418077 /nfs/dbraw/zinc/41/80/77/1098418077.db2.gz BVZBKDUZTVNUAS-QGZVFWFLSA-N 0 3 320.864 3.270 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CO[C@@H](C)CC ZINC001233731569 1098418793 /nfs/dbraw/zinc/41/87/93/1098418793.db2.gz NRYNHCXXMMXPID-DLBZAZTESA-N 0 3 310.482 3.081 20 30 DGEDHN CC(C)(C)CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277804378 1098421392 /nfs/dbraw/zinc/42/13/92/1098421392.db2.gz JPJZANICRJUPNY-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2cc(C)no2)CCCCC1 ZINC001176785872 1098429994 /nfs/dbraw/zinc/42/99/94/1098429994.db2.gz QLXPRDDOEDOUDN-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001233802743 1098433986 /nfs/dbraw/zinc/43/39/86/1098433986.db2.gz IKPFKWHDMPIKBZ-KCJPVFCQSA-N 0 3 318.417 3.286 20 30 DGEDHN COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001233802743 1098433990 /nfs/dbraw/zinc/43/39/90/1098433990.db2.gz IKPFKWHDMPIKBZ-KCJPVFCQSA-N 0 3 318.417 3.286 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@H](C)OC ZINC001233827256 1098438590 /nfs/dbraw/zinc/43/85/90/1098438590.db2.gz HEEKIOINZQCGAK-IRXDYDNUSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001176830684 1098441662 /nfs/dbraw/zinc/44/16/62/1098441662.db2.gz CRFAREMFTMEKOD-LBPRGKRZSA-N 0 3 312.816 3.168 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCOCC1 ZINC001233926586 1098459423 /nfs/dbraw/zinc/45/94/23/1098459423.db2.gz OZMJYQIUPGZXGQ-QZTJIDSGSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC1(OC)CCC1 ZINC001233959205 1098466630 /nfs/dbraw/zinc/46/66/30/1098466630.db2.gz YSKSDVHZQSETBH-KRWDZBQOSA-N 0 3 324.509 3.449 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001233990009 1098472581 /nfs/dbraw/zinc/47/25/81/1098472581.db2.gz GPJFOGNJMMWTBN-HUUCEWRRSA-N 0 3 304.434 3.343 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1sccc1F ZINC001234058266 1098487155 /nfs/dbraw/zinc/48/71/55/1098487155.db2.gz HKMSMFNORZJBEU-CHWSQXEVSA-N 0 3 310.438 3.388 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(F)F ZINC001234087803 1098492418 /nfs/dbraw/zinc/49/24/18/1098492418.db2.gz LKEVEFGFJMCOEU-KGLIPLIRSA-N 0 3 302.409 3.145 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccncc1C ZINC001234089992 1098493674 /nfs/dbraw/zinc/49/36/74/1098493674.db2.gz XEKYYJVRCALQRQ-KRWDZBQOSA-N 0 3 315.461 3.283 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)CCc1ccccc1 ZINC001177296766 1098506358 /nfs/dbraw/zinc/50/63/58/1098506358.db2.gz UJINYKOSCVFVSD-OAHLLOKOSA-N 0 3 322.880 3.494 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179579 1098509856 /nfs/dbraw/zinc/50/98/56/1098509856.db2.gz WYJPWOOSQYEUEU-WMZOPIPTSA-N 0 3 310.441 3.002 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](OCC)C1=CCCC1 ZINC001234322149 1098536793 /nfs/dbraw/zinc/53/67/93/1098536793.db2.gz FYEDOKQCZPBOAT-ZWKOTPCHSA-N 0 3 320.477 3.001 20 30 DGEDHN C#CC[C@H](CC(=O)NCCCNCC(=C)Cl)c1ccccc1 ZINC001177491054 1098542493 /nfs/dbraw/zinc/54/24/93/1098542493.db2.gz IHZWFSJAHIZIDU-QGZVFWFLSA-N 0 3 318.848 3.032 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234378751 1098545443 /nfs/dbraw/zinc/54/54/43/1098545443.db2.gz VSIUETWVPDGFIL-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001234627190 1098624798 /nfs/dbraw/zinc/62/47/98/1098624798.db2.gz ZNDLFGZVBFVWAC-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C#C[C@H](CC(C)C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234660994 1098636499 /nfs/dbraw/zinc/63/64/99/1098636499.db2.gz OAWBEUDLOQXAGL-GOSISDBHSA-N 0 3 300.446 3.255 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1scnc1C1CC1 ZINC001177909289 1098645122 /nfs/dbraw/zinc/64/51/22/1098645122.db2.gz SQVXLSBDLFLULV-SNVBAGLBSA-N 0 3 303.412 3.403 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC1(c2ccccc2)CC1 ZINC001235106885 1098807296 /nfs/dbraw/zinc/80/72/96/1098807296.db2.gz SHIVRRXIAOACSF-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001178580468 1098864886 /nfs/dbraw/zinc/86/48/86/1098864886.db2.gz YNOXOYKAWAHSKU-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN CC/C(C)=C/C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178658847 1098898202 /nfs/dbraw/zinc/89/82/02/1098898202.db2.gz AMZHZZKUHFOZTM-IKRZEOFISA-N 0 3 317.458 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001178802519 1098934968 /nfs/dbraw/zinc/93/49/68/1098934968.db2.gz KWFWBUOQJPDOEO-GUYCJALGSA-N 0 3 322.399 3.400 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179212280 1099037374 /nfs/dbraw/zinc/03/73/74/1099037374.db2.gz JPYLQENKGREQKW-UHFFFAOYSA-N 0 3 321.465 3.352 20 30 DGEDHN N#CCc1ccccc1CN1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235512930 1099068137 /nfs/dbraw/zinc/06/81/37/1099068137.db2.gz XZPXKZBXNARHAS-HNNXBMFYSA-N 0 3 312.335 3.032 20 30 DGEDHN N#CCc1ccccc1CN1CCC(Oc2ccncc2)CC1 ZINC001235513860 1099070366 /nfs/dbraw/zinc/07/03/66/1099070366.db2.gz GYXWIFOXOIBSBE-UHFFFAOYSA-N 0 3 307.397 3.191 20 30 DGEDHN N#CCc1ccccc1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001235527613 1099073923 /nfs/dbraw/zinc/07/39/23/1099073923.db2.gz KDXACLNZVGGHPO-RBUKOAKNSA-N 0 3 315.436 3.151 20 30 DGEDHN Cc1cccnc1O[C@@H]1CCCN(Cc2ccccc2CC#N)C1 ZINC001235527570 1099076165 /nfs/dbraw/zinc/07/61/65/1099076165.db2.gz JQEZSJMABQDJKP-LJQANCHMSA-N 0 3 321.424 3.500 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179340170 1099077553 /nfs/dbraw/zinc/07/75/53/1099077553.db2.gz UZRWWIHRTWFXRB-HNNXBMFYSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001179384803 1099088044 /nfs/dbraw/zinc/08/80/44/1099088044.db2.gz WZLRJBIGVYWGKC-BBWFWOEESA-N 0 3 315.461 3.071 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1nc(-c3ccccc3)c[nH]1)C2 ZINC001179419265 1099099953 /nfs/dbraw/zinc/09/99/53/1099099953.db2.gz JDJDQSNVSWXPDM-SFHVURJKSA-N 0 3 314.392 3.205 20 30 DGEDHN C=C1CCC(CNCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC001179541611 1099136187 /nfs/dbraw/zinc/13/61/87/1099136187.db2.gz PDOZUFAJZWAPAZ-UHFFFAOYSA-N 0 3 300.381 3.242 20 30 DGEDHN Cc1cnc(C#N)c(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236003925 1099323957 /nfs/dbraw/zinc/32/39/57/1099323957.db2.gz FDNPJPBYDYQIET-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(SC)c1 ZINC001188066193 1099675778 /nfs/dbraw/zinc/67/57/78/1099675778.db2.gz LWLOREGETRWLGA-AWEZNQCLSA-N 0 3 305.447 3.180 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCN(C)Cc2cncc(C)c2)C1 ZINC001273560709 1099758401 /nfs/dbraw/zinc/75/84/01/1099758401.db2.gz QQDJKVWNNWCTGU-UHFFFAOYSA-N 0 3 315.461 3.027 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1C ZINC001188749076 1099846416 /nfs/dbraw/zinc/84/64/16/1099846416.db2.gz YFCGWJWGSWSBHC-AWEZNQCLSA-N 0 3 307.825 3.420 20 30 DGEDHN C=C[C@H](C(=O)N(C)C[C@@H](C)NC/C=C/Cl)c1ccccc1 ZINC001278024451 1099861082 /nfs/dbraw/zinc/86/10/82/1099861082.db2.gz DVQTWBJETLHOJF-BGVIPNPZSA-N 0 3 306.837 3.145 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1oc2ccccc2c1CC ZINC001278026774 1099869855 /nfs/dbraw/zinc/86/98/55/1099869855.db2.gz ZNKJWLQLQUSNSB-CQSZACIVSA-N 0 3 312.413 3.069 20 30 DGEDHN C#CC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237056661 1099948024 /nfs/dbraw/zinc/94/80/24/1099948024.db2.gz AZSGRYQPHNSUDY-UHFFFAOYSA-N 0 3 313.319 3.179 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001189271275 1100013098 /nfs/dbraw/zinc/01/30/98/1100013098.db2.gz ZHDXHEDPLZQMFN-WMLDXEAASA-N 0 3 304.409 3.386 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1occc1[S-])C2 ZINC001237178206 1100015913 /nfs/dbraw/zinc/01/59/13/1100015913.db2.gz WHKCLQPGJDISER-DLBZAZTESA-N 0 3 323.458 3.142 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1occc1[S-])C2 ZINC001237178206 1100015919 /nfs/dbraw/zinc/01/59/19/1100015919.db2.gz WHKCLQPGJDISER-DLBZAZTESA-N 0 3 323.458 3.142 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001189317765 1100022262 /nfs/dbraw/zinc/02/22/62/1100022262.db2.gz DEJDUWCLJMIZPH-KRWDZBQOSA-N 0 3 304.409 3.133 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc(OC)c(C)c2)C1 ZINC001189319428 1100022889 /nfs/dbraw/zinc/02/28/89/1100022889.db2.gz ZMJUAIFFBJUVDT-KRWDZBQOSA-N 0 3 316.445 3.003 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001189743442 1100120426 /nfs/dbraw/zinc/12/04/26/1100120426.db2.gz DILAUILYDZHIHW-SFHVURJKSA-N 0 3 316.420 3.052 20 30 DGEDHN Cn1cc(CN2CCC3(C[C@@H]3CCO)CC2)c2cc(C#N)ccc21 ZINC001237469875 1100134517 /nfs/dbraw/zinc/13/45/17/1100134517.db2.gz ZJHRHLOMDZVOST-KRWDZBQOSA-N 0 3 323.440 3.034 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001189829936 1100139219 /nfs/dbraw/zinc/13/92/19/1100139219.db2.gz VKXAZZNBQWBNEP-HZSPNIEDSA-N 0 3 318.383 3.074 20 30 DGEDHN CCCCCCCCC(=O)N1CC[C@H]2CN(CCOCC)C[C@H]21 ZINC001189936538 1100164153 /nfs/dbraw/zinc/16/41/53/1100164153.db2.gz JZTKFAOHIJOEJD-ZWKOTPCHSA-N 0 3 324.509 3.306 20 30 DGEDHN Cc1cccc(CCN(C)Cc2cn3cc(C#N)ccc3n2)c1 ZINC001237613749 1100188485 /nfs/dbraw/zinc/18/84/85/1100188485.db2.gz ISRQMXJORMQAMG-UHFFFAOYSA-N 0 3 304.397 3.189 20 30 DGEDHN CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076366 1100202445 /nfs/dbraw/zinc/20/24/45/1100202445.db2.gz OXOTZDQFSULIQA-POGDKVGISA-N 0 3 324.468 3.282 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)COCCCCCCCC)C1 ZINC001190695338 1100324570 /nfs/dbraw/zinc/32/45/70/1100324570.db2.gz DQNQCRJQBPUTAZ-KRWDZBQOSA-N 0 3 310.482 3.082 20 30 DGEDHN C#CCN(C(=O)[C@H](C)[C@@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001278194019 1100371221 /nfs/dbraw/zinc/37/12/21/1100371221.db2.gz FMJIYXWJWZJSBC-DLBZAZTESA-N 0 3 304.478 3.171 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)[C@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001278194025 1100372013 /nfs/dbraw/zinc/37/20/13/1100372013.db2.gz FMJIYXWJWZJSBC-SJORKVTESA-N 0 3 304.478 3.171 20 30 DGEDHN C#CCN(C(=O)C1CCC=CCC1)C1CCN(CC(=C)C)CC1 ZINC001278200415 1100384625 /nfs/dbraw/zinc/38/46/25/1100384625.db2.gz HRIGEEDUHKPJAY-UHFFFAOYSA-N 0 3 314.473 3.235 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c(C)c1 ZINC001191783372 1100520892 /nfs/dbraw/zinc/52/08/92/1100520892.db2.gz JBMCHNRPXVOCNP-AWEZNQCLSA-N 0 3 307.825 3.420 20 30 DGEDHN CCc1noc([C@@H]2CCCN(Cc3ccc(C#N)c(CC)c3)C2)n1 ZINC001238768127 1100523151 /nfs/dbraw/zinc/52/31/51/1100523151.db2.gz GCKCINXNSNCNJQ-QGZVFWFLSA-N 0 3 324.428 3.446 20 30 DGEDHN CCc1cc(CN2CC[C@@H](Oc3ccncc3C)C2)ccc1C#N ZINC001238773434 1100526004 /nfs/dbraw/zinc/52/60/04/1100526004.db2.gz YYZXQEVLWGPLOR-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(OC)cc2)C1 ZINC001192073875 1100566399 /nfs/dbraw/zinc/56/63/99/1100566399.db2.gz YLIMCUMUSMKUCG-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001192093721 1100571033 /nfs/dbraw/zinc/57/10/33/1100571033.db2.gz LMDUGCXZFYDPEE-INIZCTEOSA-N 0 3 306.475 3.446 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](N(C)CCOCCCC)C2)CCC1 ZINC001192189029 1100583794 /nfs/dbraw/zinc/58/37/94/1100583794.db2.gz BBALSJJMBIKHEO-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001192323619 1100604596 /nfs/dbraw/zinc/60/45/96/1100604596.db2.gz CNUOFKZBEUOWIK-WBVHZDCISA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@@H](F)[C@@H](N)C2)c1 ZINC001239288315 1100622357 /nfs/dbraw/zinc/62/23/57/1100622357.db2.gz NVMALYLMPFBBBI-CVEARBPZSA-N 0 3 319.424 3.036 20 30 DGEDHN CCC(CC)COC(=O)Nc1sc2c(c1C#N)CCNC2 ZINC001239311083 1100627758 /nfs/dbraw/zinc/62/77/58/1100627758.db2.gz TVNLQHXDWLSMAI-UHFFFAOYSA-N 0 3 307.419 3.250 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCCc2ccc(F)cc2)C1 ZINC001192521797 1100628809 /nfs/dbraw/zinc/62/88/09/1100628809.db2.gz DUTDKKDPBGUXTK-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN C[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1cccc(F)c1F ZINC001192801227 1100663497 /nfs/dbraw/zinc/66/34/97/1100663497.db2.gz FHWTZRQATLEYCP-BZNIZROVSA-N 0 3 302.324 3.221 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432491 1100746078 /nfs/dbraw/zinc/74/60/78/1100746078.db2.gz KMNATFZVKFYQGP-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193478576 1100749754 /nfs/dbraw/zinc/74/97/54/1100749754.db2.gz OUNXDMFZDWMIRJ-DLBZAZTESA-N 0 3 324.509 3.184 20 30 DGEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)[C@H]1C ZINC001193608051 1100771591 /nfs/dbraw/zinc/77/15/91/1100771591.db2.gz XCNYZVFPCGQHFC-GVDBMIGSSA-N 0 3 313.445 3.442 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001193877571 1100822613 /nfs/dbraw/zinc/82/26/13/1100822613.db2.gz HCGCVDOVPVXBRR-MSOLQXFVSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nccc(Cl)c1Cl ZINC001193920512 1100842407 /nfs/dbraw/zinc/84/24/07/1100842407.db2.gz NYGKGLNPSKDVDX-UHFFFAOYSA-N 0 3 302.249 3.328 20 30 DGEDHN O=C(Oc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001194037441 1100856298 /nfs/dbraw/zinc/85/62/98/1100856298.db2.gz AEXYINQDQMLPMB-LBPRGKRZSA-N 0 3 309.774 3.113 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@]23CCN([C@H](C)CC)C3=O)cc1 ZINC001273671434 1100877533 /nfs/dbraw/zinc/87/75/33/1100877533.db2.gz GBJMKVAYDNJXBN-OXQOHEQNSA-N 0 3 310.441 3.033 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N(C)CC=C)C1 ZINC001194174251 1100882710 /nfs/dbraw/zinc/88/27/10/1100882710.db2.gz PNEYQKOYNXPFSP-OALUTQOASA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194336156 1100926594 /nfs/dbraw/zinc/92/65/94/1100926594.db2.gz GTBQMCNTUXIOJX-ZWKOTPCHSA-N 0 3 324.509 3.184 20 30 DGEDHN CN1CCN(Cc2ccc(-c3cc(F)ccc3CC#N)cc2)CC1 ZINC001240402932 1100978814 /nfs/dbraw/zinc/97/88/14/1100978814.db2.gz ZKPVDIJCELARMD-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccc(CC#N)cc3)cc2)CC1 ZINC001240402067 1100978999 /nfs/dbraw/zinc/97/89/99/1100978999.db2.gz HJRJECQVVQDLIL-UHFFFAOYSA-N 0 3 305.425 3.167 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccc(F)c(CC#N)c3)cc2)CC1 ZINC001240402300 1100979099 /nfs/dbraw/zinc/97/90/99/1100979099.db2.gz RZSFWXPEGXRIDX-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)CSCCC)CC1 ZINC001195063263 1101060677 /nfs/dbraw/zinc/06/06/77/1101060677.db2.gz MCUMLAXXYMLOQD-UHFFFAOYSA-N 0 3 312.523 3.410 20 30 DGEDHN Cc1sccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240500958 1101024099 /nfs/dbraw/zinc/02/40/99/1101024099.db2.gz WVFGWAPSNOBCKY-LBPRGKRZSA-N 0 3 315.398 3.462 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccc(C)nc2)CC1 ZINC001194843250 1101031645 /nfs/dbraw/zinc/03/16/45/1101031645.db2.gz JBQVNUQQDDBUGO-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCCC(=O)N1CCCN(Cc2cccc3cccnc32)CC1 ZINC001195192062 1101087182 /nfs/dbraw/zinc/08/71/82/1101087182.db2.gz RSZIZUSFTJJQDD-UHFFFAOYSA-N 0 3 323.440 3.235 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC/C=C\CCC)CC1 ZINC001195175044 1101092950 /nfs/dbraw/zinc/09/29/50/1101092950.db2.gz YUAXKWAHRAXGAV-CNZFZVQHSA-N 0 3 322.493 3.248 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cnn(CC)c2)CC1 ZINC001195337797 1101121787 /nfs/dbraw/zinc/12/17/87/1101121787.db2.gz IBMCXRQIWLGSAE-UHFFFAOYSA-N 0 3 320.481 3.021 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cnccc2C)CC1 ZINC001195405286 1101129192 /nfs/dbraw/zinc/12/91/92/1101129192.db2.gz XEXOHMDVABETBH-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ccnn2CC)CC1 ZINC001195604809 1101156833 /nfs/dbraw/zinc/15/68/33/1101156833.db2.gz KBBBEZGJZZNOPB-UHFFFAOYSA-N 0 3 320.481 3.021 20 30 DGEDHN C#CCCCC(=O)N1CCCN(Cc2c(C)cccc2C)CC1 ZINC001195645070 1101169355 /nfs/dbraw/zinc/16/93/55/1101169355.db2.gz IKSGDJVGPMFIOQ-UHFFFAOYSA-N 0 3 312.457 3.141 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195785386 1101201072 /nfs/dbraw/zinc/20/10/72/1101201072.db2.gz KOZBTRFZRHOHAO-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN Cc1ccc(F)cc1NC(=S)N1CCC2SC(=O)C=C2C1 ZINC001195893710 1101212617 /nfs/dbraw/zinc/21/26/17/1101212617.db2.gz YVBROHUMEASADT-ZDUSSCGKSA-N 0 3 322.430 3.105 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001195982411 1101228771 /nfs/dbraw/zinc/22/87/71/1101228771.db2.gz VEMCVLNUOKPYEC-UHFFFAOYSA-N 0 3 320.502 3.427 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc(F)c(C)cc2F)CC1 ZINC001196242453 1101277386 /nfs/dbraw/zinc/27/73/86/1101277386.db2.gz IXNCENFFQNNYQH-UHFFFAOYSA-N 0 3 322.399 3.387 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(CC)s2)C1=O ZINC001273727939 1101382437 /nfs/dbraw/zinc/38/24/37/1101382437.db2.gz ZPGSWAWESSEPIP-GOSISDBHSA-N 0 3 318.486 3.454 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cccnc2C)CC1 ZINC001196962953 1101447966 /nfs/dbraw/zinc/44/79/66/1101447966.db2.gz LPQKTNHKCTYIAM-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCCCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196999872 1101454566 /nfs/dbraw/zinc/45/45/66/1101454566.db2.gz ATKRYOZSQKOENC-UHFFFAOYSA-N 0 3 306.475 3.181 20 30 DGEDHN CCc1nc(C#N)cc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241503418 1101517598 /nfs/dbraw/zinc/51/75/98/1101517598.db2.gz RGHGFKZVNIPCIT-UHFFFAOYSA-N 0 3 304.397 3.200 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2C[C@@H](C)CC(F)(F)F)C1=O ZINC001273747227 1101596353 /nfs/dbraw/zinc/59/63/53/1101596353.db2.gz LXABADSZUKASNY-ZFWWWQNUSA-N 0 3 318.383 3.218 20 30 DGEDHN N#Cc1cc(F)cc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1 ZINC001241659432 1101613913 /nfs/dbraw/zinc/61/39/13/1101613913.db2.gz PWKCSQRRIJEROJ-IBGZPJMESA-N 0 3 321.355 3.278 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CC)cc1 ZINC001110494715 1101635625 /nfs/dbraw/zinc/63/56/25/1101635625.db2.gz URXVYYNWLCVMQO-AQNXPRMDSA-N 0 3 324.468 3.274 20 30 DGEDHN N#Cc1ccnc(CN2CCCC[C@@H]2CC2(O)CCCCC2)c1 ZINC001197693500 1101643793 /nfs/dbraw/zinc/64/37/93/1101643793.db2.gz XACNXIGFPDXTTF-GOSISDBHSA-N 0 3 313.445 3.393 20 30 DGEDHN CCN1CCN(c2ccc(-c3nc(C)c(C)cc3C#N)cc2)CC1 ZINC001241737023 1101669788 /nfs/dbraw/zinc/66/97/88/1101669788.db2.gz AJBATOHYDFJIJP-UHFFFAOYSA-N 0 3 320.440 3.379 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cn(CC)cn2)CC1 ZINC001197843558 1101673798 /nfs/dbraw/zinc/67/37/98/1101673798.db2.gz XASBJRFELUMSCS-UHFFFAOYSA-N 0 3 320.481 3.021 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H](CCC)c2ccccc2)CC1 ZINC001198046426 1101734673 /nfs/dbraw/zinc/73/46/73/1101734673.db2.gz JPMGFSSJIOGJMI-LJQANCHMSA-N 0 3 312.457 3.128 20 30 DGEDHN C#Cc1cccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)c1 ZINC001241916596 1101779671 /nfs/dbraw/zinc/77/96/71/1101779671.db2.gz GCTIIDAQJKWHOB-UHFFFAOYSA-N 0 3 307.397 3.173 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCN(CCCF)CC1)c1ccccc1 ZINC001198205402 1101780484 /nfs/dbraw/zinc/78/04/84/1101780484.db2.gz VRPTVAVVABJZHC-QGZVFWFLSA-N 0 3 318.436 3.240 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC001198357547 1101843895 /nfs/dbraw/zinc/84/38/95/1101843895.db2.gz BAJXLEPXBWVOQU-UHFFFAOYSA-N 0 3 319.474 3.135 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)C1CCC1)c1ccccc1OC ZINC001198471555 1101868661 /nfs/dbraw/zinc/86/86/61/1101868661.db2.gz JZAGVJZKJUNWGS-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCC[C@H](C)N[C@H](CNC(=O)CC)c1ccccc1OC ZINC001198444584 1101870427 /nfs/dbraw/zinc/87/04/27/1101870427.db2.gz SDDUWRFIFJEPHR-GOEBONIOSA-N 0 3 304.434 3.207 20 30 DGEDHN C=CCC[C@H](C)N[C@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198544837 1101914369 /nfs/dbraw/zinc/91/43/69/1101914369.db2.gz VYDXUMKJFJWXDT-DOTOQJQBSA-N 0 3 318.461 3.453 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](NCCCC)c1ccccc1OC ZINC001198695246 1101949554 /nfs/dbraw/zinc/94/95/54/1101949554.db2.gz PBJRMDZZPJMBQQ-QGZVFWFLSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198835497 1101989929 /nfs/dbraw/zinc/98/99/29/1101989929.db2.gz UJGTVGSIONLGFL-OAHLLOKOSA-N 0 3 304.434 3.063 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C(C)(C)C=C)c1ccccc1OC ZINC001198835121 1101989992 /nfs/dbraw/zinc/98/99/92/1101989992.db2.gz RCXMVQONSDIMSI-MRXNPFEDSA-N 0 3 316.445 3.230 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3ccc(F)cc3C#N)cn2)CC1 ZINC001242582792 1102223865 /nfs/dbraw/zinc/22/38/65/1102223865.db2.gz HRZOAADOAQEGHH-UHFFFAOYSA-N 0 3 324.403 3.290 20 30 DGEDHN Cc1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)c(C#N)c1 ZINC001242593208 1102230780 /nfs/dbraw/zinc/23/07/80/1102230780.db2.gz KHZVKPZISGCJBI-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@]3(CCN(CC=C)C3=O)CC2)c1 ZINC001273792625 1102233580 /nfs/dbraw/zinc/23/35/80/1102233580.db2.gz VNLWIPQNLDBOEV-OAQYLSRUSA-N 0 3 322.452 3.059 20 30 DGEDHN N#Cc1ccn(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1N ZINC001201474870 1102624878 /nfs/dbraw/zinc/62/48/78/1102624878.db2.gz ODCSQBCFSFOOMW-SJORKVTESA-N 0 3 304.397 3.220 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CCC(C)C)CC2 ZINC001201615296 1102671875 /nfs/dbraw/zinc/67/18/75/1102671875.db2.gz TWWUYECODFKJQT-UHFFFAOYSA-N 0 3 317.477 3.400 20 30 DGEDHN CCCCCCCCN1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001201813191 1102732388 /nfs/dbraw/zinc/73/23/88/1102732388.db2.gz BYZACZOIMCMQEA-UHFFFAOYSA-N 0 3 310.482 3.060 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2cccc(OC)c2C)C1 ZINC001278369303 1102920074 /nfs/dbraw/zinc/92/00/74/1102920074.db2.gz PNLMTDGSXRUGQT-LJQANCHMSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCOC(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001202378024 1102968342 /nfs/dbraw/zinc/96/83/42/1102968342.db2.gz SJJFENHMGRLFKU-UHFFFAOYSA-N 0 3 320.355 3.049 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H](C)c1ccccc1)C2 ZINC001111106954 1103047587 /nfs/dbraw/zinc/04/75/87/1103047587.db2.gz CECLRNXIJYUOAK-NBYUQASBSA-N 0 3 324.468 3.315 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C ZINC001488655587 1103088440 /nfs/dbraw/zinc/08/84/40/1103088440.db2.gz NMRDVVBZIIZOLH-QGZVFWFLSA-N 0 3 315.461 3.283 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)[C@@H](C)CC ZINC001325709134 1103108034 /nfs/dbraw/zinc/10/80/34/1103108034.db2.gz ZGQHMTDGIBPIAA-ZWKOTPCHSA-N 0 3 314.473 3.310 20 30 DGEDHN CCCCCCC[C@H](C)N1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001258043365 1103120295 /nfs/dbraw/zinc/12/02/95/1103120295.db2.gz NTWZZCWRYHGVCR-GOEBONIOSA-N 0 3 312.498 3.336 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001488740908 1103130166 /nfs/dbraw/zinc/13/01/66/1103130166.db2.gz OPVQMFDVDKNEBV-OTVXOJSOSA-N 0 3 322.399 3.306 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@@H](F)CC ZINC001325894453 1103153855 /nfs/dbraw/zinc/15/38/55/1103153855.db2.gz BBAVASLHAGSEFQ-RCCFBDPRSA-N 0 3 322.468 3.384 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[C@@H](C)CC ZINC001325901461 1103157924 /nfs/dbraw/zinc/15/79/24/1103157924.db2.gz WTRAGOYCYSSROK-OKZBNKHCSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001488822472 1103167782 /nfs/dbraw/zinc/16/77/82/1103167782.db2.gz NHDNAGWEVRYKHT-AULYBMBSSA-N 0 3 300.805 3.021 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001488830585 1103185338 /nfs/dbraw/zinc/18/53/38/1103185338.db2.gz OPVQMFDVDKNEBV-CTYIDZIISA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C(F)(F)F)C2 ZINC001111337243 1103225139 /nfs/dbraw/zinc/22/51/39/1103225139.db2.gz SLEONBLKBCHTDH-UPJWGTAASA-N 0 3 318.383 3.263 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1ccccc1)C2 ZINC001111356004 1103244088 /nfs/dbraw/zinc/24/40/88/1103244088.db2.gz JTCPAZNVPWKUJL-AITUJVMLSA-N 0 3 312.457 3.478 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2sc(C)nc2C)C[C@H]1C ZINC001278377649 1103249530 /nfs/dbraw/zinc/24/95/30/1103249530.db2.gz HLUBMXXJKUUYJZ-DOMZBBRYSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H]1CC ZINC001489125970 1103284520 /nfs/dbraw/zinc/28/45/20/1103284520.db2.gz XKYUFCACMOWOGV-LSDHHAIUSA-N 0 3 306.475 3.429 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCN(CC=C)[C@@H]2CC)CCCCC1 ZINC001489147375 1103302901 /nfs/dbraw/zinc/30/29/01/1103302901.db2.gz KNWNFVKFTKREEV-DLBZAZTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc2occc2[nH]1 ZINC001326449324 1103320350 /nfs/dbraw/zinc/32/03/50/1103320350.db2.gz JNJBFDXNGAOFJD-UHFFFAOYSA-N 0 3 323.396 3.309 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001489255871 1103321780 /nfs/dbraw/zinc/32/17/80/1103321780.db2.gz IYPMCRJVBYSHNQ-WBVHZDCISA-N 0 3 316.445 3.049 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001326458725 1103323995 /nfs/dbraw/zinc/32/39/95/1103323995.db2.gz RVOQVCOLYVCGSX-GPMSIDNRSA-N 0 3 312.457 3.357 20 30 DGEDHN CC(C)C#CC(=O)NCc1ccc([C@@H](C)NC/C=C\Cl)cc1 ZINC001326466342 1103328718 /nfs/dbraw/zinc/32/87/18/1103328718.db2.gz BUFGLMPXKKBNIX-XVCALJJASA-N 0 3 318.848 3.365 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(C)o2)cc1 ZINC001326491754 1103338255 /nfs/dbraw/zinc/33/82/55/1103338255.db2.gz GQJJUHZRAHHBJL-OAHLLOKOSA-N 0 3 310.397 3.192 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccsc2)cc1 ZINC001326494656 1103339904 /nfs/dbraw/zinc/33/99/04/1103339904.db2.gz OHTZKTBNQNLVER-CQSZACIVSA-N 0 3 312.438 3.352 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114792283 1103444304 /nfs/dbraw/zinc/44/43/04/1103444304.db2.gz QUPNPSDILKJHTE-UUXVDLOESA-N 0 3 324.468 3.349 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001276333108 1103506373 /nfs/dbraw/zinc/50/63/73/1103506373.db2.gz DTYJWKPEMQGDDI-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Br)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCC ZINC001490290365 1103541487 /nfs/dbraw/zinc/54/14/87/1103541487.db2.gz IRAAIHNPIKBPFN-QWHCGFSZSA-N 0 3 317.271 3.054 20 30 DGEDHN C/C=C(\C)C(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001490297042 1103545558 /nfs/dbraw/zinc/54/55/58/1103545558.db2.gz DLSHHFODFQFITH-QMXDDDEPSA-N 0 3 324.468 3.364 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC001327154947 1103558482 /nfs/dbraw/zinc/55/84/82/1103558482.db2.gz BKNHNPMPHYTKGU-QZTJIDSGSA-N 0 3 312.457 3.093 20 30 DGEDHN CCN(CC#Cc1ccc(F)cc1)CCCNC(=O)CC(C)C ZINC001490311881 1103564766 /nfs/dbraw/zinc/56/47/66/1103564766.db2.gz HLKQEPONXGYRSM-UHFFFAOYSA-N 0 3 318.436 3.052 20 30 DGEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1c(C)cccc1Cl ZINC001490318250 1103566430 /nfs/dbraw/zinc/56/64/30/1103566430.db2.gz NCIXAVOYBJNCNK-CQSZACIVSA-N 0 3 321.852 3.136 20 30 DGEDHN CC#CCN(CCCNC(=O)CC1(C)CCCCC1)C1CC1 ZINC001490380180 1103584887 /nfs/dbraw/zinc/58/48/87/1103584887.db2.gz YFXGWCNKHROKTA-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC001327225483 1103591023 /nfs/dbraw/zinc/59/10/23/1103591023.db2.gz OXQXYROTVKMPTF-VURMDHGXSA-N 0 3 316.420 3.033 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC(C)(C)C=C)C1 ZINC001327308607 1103620032 /nfs/dbraw/zinc/62/00/32/1103620032.db2.gz PNOVATFWEVSLAF-QZTJIDSGSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCOc1ccccc1CN1C[C@H](C(=O)OC)CC[C@H]1C ZINC001139028818 1103655565 /nfs/dbraw/zinc/65/55/65/1103655565.db2.gz DOILHAKWYQIMBK-GDBMZVCRSA-N 0 3 303.402 3.025 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001327508819 1103664576 /nfs/dbraw/zinc/66/45/76/1103664576.db2.gz SSXPGNADQLBQIW-LJQANCHMSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CC[C@H](C)F ZINC001327506657 1103665409 /nfs/dbraw/zinc/66/54/09/1103665409.db2.gz HJXZRVKOBZRJDM-YJBOKZPZSA-N 0 3 318.436 3.244 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1(CC)CC1 ZINC001327513751 1103669663 /nfs/dbraw/zinc/66/96/63/1103669663.db2.gz QUITXAIWCCLDKA-GOSISDBHSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC001490606504 1103676820 /nfs/dbraw/zinc/67/68/20/1103676820.db2.gz TXBGFZGCTXMDLX-PKOBYXMFSA-N 0 3 324.468 3.174 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001490605515 1103677279 /nfs/dbraw/zinc/67/72/79/1103677279.db2.gz GDUHTICBROEPQE-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001490607411 1103678714 /nfs/dbraw/zinc/67/87/14/1103678714.db2.gz XXISPSKOQKHCSY-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CCC)CC(C)C)C2 ZINC001327542566 1103679086 /nfs/dbraw/zinc/67/90/86/1103679086.db2.gz WYQQXAFIAZBNOG-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccc(C)c1)C2 ZINC001096084114 1103754521 /nfs/dbraw/zinc/75/45/21/1103754521.db2.gz RBJDPYOFLLEFNL-NQYYFHDYSA-N 0 3 312.457 3.396 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)C2 ZINC001096106316 1103758314 /nfs/dbraw/zinc/75/83/14/1103758314.db2.gz ULDVCBRGYZJXPM-WFNPHZEWSA-N 0 3 316.489 3.194 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C=CCC3)C2 ZINC001096152334 1103768851 /nfs/dbraw/zinc/76/88/51/1103768851.db2.gz PWINDZXWVSXCBU-AABGKKOBSA-N 0 3 320.436 3.004 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cc(C)oc1C)C2 ZINC001096179149 1103778888 /nfs/dbraw/zinc/77/88/88/1103778888.db2.gz YFTUCPNNMAQQCP-DHXZDTOLSA-N 0 3 316.445 3.298 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C2 ZINC001096241267 1103790777 /nfs/dbraw/zinc/79/07/77/1103790777.db2.gz DUWPMKFSONIGEE-QQXKLLMISA-N 0 3 316.489 3.194 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ccncc3c1)C2 ZINC001096291305 1103795963 /nfs/dbraw/zinc/79/59/63/1103795963.db2.gz FKHQHWCPYRHSJM-QYZOEREBSA-N 0 3 321.424 3.146 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(CC)o1)C2 ZINC001096329878 1103801802 /nfs/dbraw/zinc/80/18/02/1103801802.db2.gz CUUUTIWCAKEPRI-ILXRZTDVSA-N 0 3 302.418 3.062 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)C2 ZINC001096379053 1103813896 /nfs/dbraw/zinc/81/38/96/1103813896.db2.gz DSGLZJRCUUSERD-LFDJNIOPSA-N 0 3 310.441 3.088 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001328067006 1103831242 /nfs/dbraw/zinc/83/12/42/1103831242.db2.gz JGENFDUEUMHSBP-OAHLLOKOSA-N 0 3 306.475 3.431 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC/C=C/c2ccccc2)C1 ZINC001278399030 1103878132 /nfs/dbraw/zinc/87/81/32/1103878132.db2.gz SPLKMNILTCRWIF-FVPDAIGJSA-N 0 3 310.441 3.082 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1CCC3)C2 ZINC001096642255 1103893604 /nfs/dbraw/zinc/89/36/04/1103893604.db2.gz SYOKABCTEDEXTJ-MNEFBYGVSA-N 0 3 310.441 3.087 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCCCC)C2 ZINC001111438576 1103944921 /nfs/dbraw/zinc/94/49/21/1103944921.db2.gz FFGOKJBUYYGMJG-MLHJIOFPSA-N 0 3 304.478 3.338 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(Cl)c1 ZINC001328440591 1103946845 /nfs/dbraw/zinc/94/68/45/1103946845.db2.gz JIGMCZUKLLPTCO-NSHDSACASA-N 0 3 301.217 3.191 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1CCC ZINC001328467633 1103956727 /nfs/dbraw/zinc/95/67/27/1103956727.db2.gz GGRDWJADKRYCCF-QGZVFWFLSA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCCc2ccccc21 ZINC001328732794 1104044448 /nfs/dbraw/zinc/04/44/48/1104044448.db2.gz IZCLTWPGJZRQAE-MJGOQNOKSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CC2(C1)C[C@@H](F)CS2 ZINC001253238206 1104052022 /nfs/dbraw/zinc/05/20/22/1104052022.db2.gz BYGACYRBEZTZLP-CABCVRRESA-N 0 3 301.471 3.403 20 30 DGEDHN C=C1CCC(C(=O)N2CCC[C@H]2CN(C)CCOC(C)C)CC1 ZINC001328764278 1104059571 /nfs/dbraw/zinc/05/95/71/1104059571.db2.gz KAJXCIHGCLULBZ-SFHVURJKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C1CCC1)C1CCC1 ZINC001328766208 1104060915 /nfs/dbraw/zinc/06/09/15/1104060915.db2.gz VDWZMVAQMRZAIM-QGZVFWFLSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1cscc1Br ZINC001328789124 1104071815 /nfs/dbraw/zinc/07/18/15/1104071815.db2.gz MBZZPZRJZMQSRA-NSHDSACASA-N 0 3 302.237 3.029 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC2CCC2)C12CCC2 ZINC001202703967 1104125319 /nfs/dbraw/zinc/12/53/19/1104125319.db2.gz MXZQNZLMJYRLJF-GJZGRUSLSA-N 0 3 310.869 3.336 20 30 DGEDHN Cc1coc(C)c1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001329029135 1104131745 /nfs/dbraw/zinc/13/17/45/1104131745.db2.gz ZTCMPRCOVJDHFO-HZPDHXFCSA-N 0 3 324.424 3.045 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NCc2ccccc2F)cc1 ZINC001329089306 1104149156 /nfs/dbraw/zinc/14/91/56/1104149156.db2.gz DBOUKIWJOHOGTQ-HUUCEWRRSA-N 0 3 324.399 3.104 20 30 DGEDHN N#Cc1cc(-c2c([O-])cccc2F)ccc1OC1CC[NH2+]CC1 ZINC001245654257 1104179870 /nfs/dbraw/zinc/17/98/70/1104179870.db2.gz BNTRVJLQNCPGHW-UHFFFAOYSA-N 0 3 312.344 3.201 20 30 DGEDHN N#CCCCCN1CCCC[C@@]12CC(=O)N(CC1CCCC1)C2 ZINC001274044716 1104232223 /nfs/dbraw/zinc/23/22/23/1104232223.db2.gz AIHKEDRVBHPWBV-IBGZPJMESA-N 0 3 317.477 3.327 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(C)c(F)cc1Br ZINC001329389065 1104242482 /nfs/dbraw/zinc/24/24/82/1104242482.db2.gz JALFQVAMIHRHDN-NSHDSACASA-N 0 3 316.214 3.171 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CCCc1ccccc1Cl ZINC001329460758 1104271336 /nfs/dbraw/zinc/27/13/36/1104271336.db2.gz RXCUTILNJASMBU-AWEZNQCLSA-N 0 3 308.853 3.285 20 30 DGEDHN CC#CCCCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001278419999 1104297491 /nfs/dbraw/zinc/29/74/91/1104297491.db2.gz JNKLUCXPKZMYKP-SFHVURJKSA-N 0 3 318.486 3.331 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C[C@H](OC)c1ccccc1 ZINC001329521623 1104297556 /nfs/dbraw/zinc/29/75/56/1104297556.db2.gz DRRDSQDEUULBLP-WBVHZDCISA-N 0 3 318.461 3.023 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001329538319 1104308172 /nfs/dbraw/zinc/30/81/72/1104308172.db2.gz BMRLQGCGVMTGPF-RDTXWAMCSA-N 0 3 306.425 3.365 20 30 DGEDHN CN(C)[C@H](CNC(=S)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001245934647 1104320950 /nfs/dbraw/zinc/32/09/50/1104320950.db2.gz GAGXCNQZKURHOX-QGZVFWFLSA-N 0 3 324.453 3.148 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2cccc(C(C)C)c2)C1=O ZINC001274269221 1104339062 /nfs/dbraw/zinc/33/90/62/1104339062.db2.gz MMNYFIHEPQVLTC-HXUWFJFHSA-N 0 3 310.441 3.010 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001278427777 1104360711 /nfs/dbraw/zinc/36/07/11/1104360711.db2.gz YBEISASULRQWHN-HNNXBMFYSA-N 0 3 312.866 3.101 20 30 DGEDHN CC(C)C(=O)NC[C@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC001329909425 1104418408 /nfs/dbraw/zinc/41/84/08/1104418408.db2.gz RFTNJEJRVDAKBI-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H]2CCCC[C@H]12 ZINC001329912565 1104421273 /nfs/dbraw/zinc/42/12/73/1104421273.db2.gz SEPVFGZRAOVUGK-OAGGEKHMSA-N 0 3 318.442 3.173 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C/C=C/c1ccccc1 ZINC001274626211 1104426197 /nfs/dbraw/zinc/42/61/97/1104426197.db2.gz YBIHIIUJUIKBHS-IFKDRHBRSA-N 0 3 322.452 3.082 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001278434917 1104427813 /nfs/dbraw/zinc/42/78/13/1104427813.db2.gz YOGKVZZIJKSNKZ-PXNSSMCTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2ccsc2c1 ZINC001274763628 1104482043 /nfs/dbraw/zinc/48/20/43/1104482043.db2.gz PBZUEGUUOPUPOQ-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC(C)C)CCCC2)C(C)(C)C1 ZINC001330240390 1104519468 /nfs/dbraw/zinc/51/94/68/1104519468.db2.gz CIVLYFQJYGANGO-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@](C)(CC)CCCCC)[C@@H]2C1 ZINC001330362034 1104544623 /nfs/dbraw/zinc/54/46/23/1104544623.db2.gz CPCXNMUNHHOAJB-GNBUJSLZSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C(CC(C)C)CC(C)C)[C@@H]2C1 ZINC001330366680 1104545768 /nfs/dbraw/zinc/54/57/68/1104545768.db2.gz UGENDURNNVKBSA-LDLYASANSA-N 0 3 318.505 3.012 20 30 DGEDHN C=CCCCN1CC2(CCN2CCc2c[nH]c3ccccc23)C1 ZINC001274964259 1104558019 /nfs/dbraw/zinc/55/80/19/1104558019.db2.gz FXTQDGTVJOGVNJ-UHFFFAOYSA-N 0 3 309.457 3.437 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2ccccc2n1C(C)(C)C ZINC001330587912 1104585083 /nfs/dbraw/zinc/58/50/83/1104585083.db2.gz DTPMQILWYDWIDJ-LLVKDONJSA-N 0 3 320.824 3.200 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCC(C)(F)F ZINC001275072053 1104607491 /nfs/dbraw/zinc/60/74/91/1104607491.db2.gz LOFCLQMUIACWHQ-NVXWUHKLSA-N 0 3 322.399 3.370 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001330800311 1104649581 /nfs/dbraw/zinc/64/95/81/1104649581.db2.gz HWOOBTSMDKRLQD-ASNKMWSDSA-N 0 3 313.445 3.289 20 30 DGEDHN C=CCCC[C@H](NC(=O)N(C)CCN(C)C)c1ccccc1 ZINC001246655900 1104650810 /nfs/dbraw/zinc/65/08/10/1104650810.db2.gz WDPYHFDKKVOIDI-KRWDZBQOSA-N 0 3 303.450 3.287 20 30 DGEDHN C=C[C@H](COC)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001330867743 1104666459 /nfs/dbraw/zinc/66/64/59/1104666459.db2.gz PMDAWUMOIODWMU-XLNGHYISSA-N 0 3 307.459 3.115 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@H]2CCN(CCF)C2)C1 ZINC001275182998 1104668761 /nfs/dbraw/zinc/66/87/61/1104668761.db2.gz AZVHMYMZOFAVMK-MSOLQXFVSA-N 0 3 322.468 3.285 20 30 DGEDHN C=CCCC(=O)N1CC[C@](C)(CNCc2nc(C)c(C)s2)C1 ZINC001278470845 1104729306 /nfs/dbraw/zinc/72/93/06/1104729306.db2.gz ZKMYKNVMEJMDCF-QGZVFWFLSA-N 0 3 321.490 3.054 20 30 DGEDHN CCCC(=O)N(C)C1CCC(NCc2ccccc2C#N)CC1 ZINC001275580867 1104817356 /nfs/dbraw/zinc/81/73/56/1104817356.db2.gz TXHHMFFPNXBLRX-UHFFFAOYSA-N 0 3 313.445 3.218 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2ccccn2)CCCC1 ZINC001275580287 1104818623 /nfs/dbraw/zinc/81/86/23/1104818623.db2.gz LKIYGXTUWVLSOR-JKSUJKDBSA-N 0 3 315.461 3.201 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)cc1 ZINC001275622120 1104835612 /nfs/dbraw/zinc/83/56/12/1104835612.db2.gz LHWJJJYNFSHSJC-KRWDZBQOSA-N 0 3 300.446 3.125 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001275818602 1104922172 /nfs/dbraw/zinc/92/21/72/1104922172.db2.gz KHWDHNQVENKODT-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001275914024 1104954270 /nfs/dbraw/zinc/95/42/70/1104954270.db2.gz XDOHLNSBDIQQKV-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)CCc1scnc1C ZINC001275920910 1104957603 /nfs/dbraw/zinc/95/76/03/1104957603.db2.gz ONTIZULWVLIGGE-SUMWQHHRSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001275922039 1104958085 /nfs/dbraw/zinc/95/80/85/1104958085.db2.gz XTCQLEIQYQVSQZ-KDOFPFPSSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCCNC(=S)Nc1cnccc1N1CCCCC1 ZINC001247709669 1104961457 /nfs/dbraw/zinc/96/14/57/1104961457.db2.gz UFVBZLZYLJNKFB-UHFFFAOYSA-N 0 3 304.463 3.325 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(CCc2ccccc2)CC1 ZINC001276021352 1104990350 /nfs/dbraw/zinc/99/03/50/1104990350.db2.gz OJFYIEJDMPYHJJ-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc(C34CC(C3)CN4)n2)cc1Cl ZINC001247897954 1105009671 /nfs/dbraw/zinc/00/96/71/1105009671.db2.gz PNKGJWMQHPRYCF-UHFFFAOYSA-N 0 3 321.167 3.124 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1CC)C2 ZINC001095505536 1105050948 /nfs/dbraw/zinc/05/09/48/1105050948.db2.gz QPNWFARJSDUUIN-SNPRPXQTSA-N 0 3 319.474 3.007 20 30 DGEDHN N#Cc1cc(F)c(CN2CC3(CCN3C3CCCC3)C2)c(F)c1 ZINC001276286887 1105076677 /nfs/dbraw/zinc/07/66/77/1105076677.db2.gz DCOJAVBQNCQIAF-UHFFFAOYSA-N 0 3 317.383 3.039 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001110897706 1105105694 /nfs/dbraw/zinc/10/56/94/1105105694.db2.gz SXRYMAOMQOSSFT-ZACQAIPSSA-N 0 3 302.462 3.421 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@H](Oc2cccc(C)n2)C1 ZINC001248752873 1105155615 /nfs/dbraw/zinc/15/56/15/1105155615.db2.gz FVSFKBBUDXEXRI-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@H](Oc2ncccc2C)C1 ZINC001248753255 1105156253 /nfs/dbraw/zinc/15/62/53/1105156253.db2.gz YQLORCYXZDXPRG-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1csc(C)c1)CC2 ZINC001248801835 1105164979 /nfs/dbraw/zinc/16/49/79/1105164979.db2.gz JDKJGNVFXHMFKO-UHFFFAOYSA-N 0 3 304.459 3.200 20 30 DGEDHN N#Cc1ccn2ncc(CN3CCC4(CC[C@@H](F)C4)CC3)c2c1 ZINC001249113214 1105228192 /nfs/dbraw/zinc/22/81/92/1105228192.db2.gz FQLIHXVLLDBHFD-MRXNPFEDSA-N 0 3 312.392 3.310 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc4sc(C)nc4c3)no2)CCCN1 ZINC001249351806 1105271982 /nfs/dbraw/zinc/27/19/82/1105271982.db2.gz JXHYXYNXOOOMLG-QGZVFWFLSA-N 0 3 324.409 3.257 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2)[C@H]1C ZINC001278516469 1105291104 /nfs/dbraw/zinc/29/11/04/1105291104.db2.gz SQQBEJZIFIUJHT-CRAIPNDOSA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cccnc31)C2 ZINC001097459351 1105394743 /nfs/dbraw/zinc/39/47/43/1105394743.db2.gz TWORIUXKIBTSQB-NXHRZFHOSA-N 0 3 321.424 3.146 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ccccc3C1)C2 ZINC001097929850 1105465397 /nfs/dbraw/zinc/46/53/97/1105465397.db2.gz WJWKKSSFPXWKCX-WTGUMLROSA-N 0 3 324.468 3.089 20 30 DGEDHN N#C[C@H]1CC[C@H](N[C@H](CCO)c2cccc(Br)c2)C1 ZINC001254648287 1105467050 /nfs/dbraw/zinc/46/70/50/1105467050.db2.gz HGBBTUKJEHBTPG-TUKIKUTGSA-N 0 3 323.234 3.154 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3cccnc32)C1 ZINC001098927403 1105613900 /nfs/dbraw/zinc/61/39/00/1105613900.db2.gz NVUDYBCOVPOTML-JXFKEZNVSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)ccc2Cl)C1 ZINC001099045183 1105634028 /nfs/dbraw/zinc/63/40/28/1105634028.db2.gz JEZGVZHKRNRKNS-SJCJKPOMSA-N 0 3 322.811 3.249 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OCC)C(C)C ZINC001099074088 1105638825 /nfs/dbraw/zinc/63/88/25/1105638825.db2.gz HWFSKTQTOVYNDU-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OCC)C(C)C ZINC001099074089 1105638925 /nfs/dbraw/zinc/63/89/25/1105638925.db2.gz HWFSKTQTOVYNDU-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001099144182 1105648957 /nfs/dbraw/zinc/64/89/57/1105648957.db2.gz BDJJARNOELTFAJ-BBWFWOEESA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001099143305 1105648962 /nfs/dbraw/zinc/64/89/62/1105648962.db2.gz RRTJWBHOEKXSNT-BZWMRVRASA-N 0 3 316.489 3.360 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001099153236 1105650419 /nfs/dbraw/zinc/65/04/19/1105650419.db2.gz HTJVXKWGGIQCIS-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccccc2Cl)C1 ZINC001099149971 1105650762 /nfs/dbraw/zinc/65/07/62/1105650762.db2.gz OIVNOQUZLZSYEQ-YJBOKZPZSA-N 0 3 318.848 3.039 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001099178951 1105653817 /nfs/dbraw/zinc/65/38/17/1105653817.db2.gz SIGGXMGPDRATDV-GRCLEANCSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001099229424 1105659126 /nfs/dbraw/zinc/65/91/26/1105659126.db2.gz JRIRDRXTOWDTKU-LBPRGKRZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001099264577 1105662941 /nfs/dbraw/zinc/66/29/41/1105662941.db2.gz VKVRJPUMEZBSSR-HZPDHXFCSA-N 0 3 318.461 3.251 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccco1 ZINC001099281748 1105665044 /nfs/dbraw/zinc/66/50/44/1105665044.db2.gz XHYSMRXCAIVWHE-HNNXBMFYSA-N 0 3 304.434 3.005 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccc(C)s1 ZINC001099354430 1105672622 /nfs/dbraw/zinc/67/26/22/1105672622.db2.gz SGPYEANBAOPKBZ-HNNXBMFYSA-N 0 3 320.502 3.392 20 30 DGEDHN C=CCCOCC(=O)NC[C@@H]1CCC(C)(C)CN1CC=C(C)C ZINC001099364994 1105673169 /nfs/dbraw/zinc/67/31/69/1105673169.db2.gz UOQGCBHWFXSMGD-KRWDZBQOSA-N 0 3 322.493 3.152 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1 ZINC001251991595 1105720041 /nfs/dbraw/zinc/72/00/41/1105720041.db2.gz XRGBRRXVFKGATM-RTBURBONSA-N 0 3 322.408 3.135 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H](NCc3ccns3)C2)CCCC1 ZINC001490962821 1105729061 /nfs/dbraw/zinc/72/90/61/1105729061.db2.gz ATJMFCUONQIAES-HDJSIYSDSA-N 0 3 319.474 3.016 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001252125370 1105745038 /nfs/dbraw/zinc/74/50/38/1105745038.db2.gz CGOCZWNKGLVANZ-KFWWJZLASA-N 0 3 305.409 3.064 20 30 DGEDHN CCCCCCCC[C@@H](O)CN[C@@H]1Cc2ccccc2NC1=O ZINC001252137338 1105748760 /nfs/dbraw/zinc/74/87/60/1105748760.db2.gz XMFLVFCURYAAJU-SJLPKXTDSA-N 0 3 318.461 3.251 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001491119070 1105757365 /nfs/dbraw/zinc/75/73/65/1105757365.db2.gz BMHMLSOHNNGSDJ-DLBZAZTESA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001491235773 1105783413 /nfs/dbraw/zinc/78/34/13/1105783413.db2.gz GSRZZBMUFRRNMS-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CCCF)CCCC1 ZINC001491236720 1105783598 /nfs/dbraw/zinc/78/35/98/1105783598.db2.gz AENDCAJMESOGTE-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=C[C@](C)(O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001252556939 1105793401 /nfs/dbraw/zinc/79/34/01/1105793401.db2.gz GKTDHJHTXDRJGV-HNNXBMFYSA-N 0 3 315.244 3.052 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2coc(C(F)F)c2)C1 ZINC001278673128 1105796482 /nfs/dbraw/zinc/79/64/82/1105796482.db2.gz OZVHOZOFCBGXGG-MRXNPFEDSA-N 0 3 312.360 3.235 20 30 DGEDHN C=C[C@@](C)(O)CN[C@H](C)c1ccc(Br)cc1F ZINC001252577634 1105796844 /nfs/dbraw/zinc/79/68/44/1105796844.db2.gz LRRYKHMOOGCBLH-NOZJJQNGSA-N 0 3 302.187 3.176 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cccc(Br)c1F ZINC001252589963 1105798859 /nfs/dbraw/zinc/79/88/59/1105798859.db2.gz VTUNWPWXABHYDY-LLVKDONJSA-N 0 3 302.187 3.005 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001100877873 1105860294 /nfs/dbraw/zinc/86/02/94/1105860294.db2.gz SVUOGJFWEYZBPU-LMWSTFAQSA-N 0 3 310.825 3.010 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCCCC(C)(C)C)C[C@]2(C)C1 ZINC001101247789 1105903767 /nfs/dbraw/zinc/90/37/67/1105903767.db2.gz SIWMJOAEEDHGGD-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCC[C@@H](C)CCC)C[C@]2(C)C1 ZINC001101250570 1105903858 /nfs/dbraw/zinc/90/38/58/1105903858.db2.gz BVDXEVANKIZXQT-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001253234903 1105906315 /nfs/dbraw/zinc/90/63/15/1105906315.db2.gz GTWLMKHHJYZBEB-HZPDHXFCSA-N 0 3 309.475 3.148 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC(O)(C(F)(F)F)CC1 ZINC001253234273 1105906347 /nfs/dbraw/zinc/90/63/47/1105906347.db2.gz YAOWMGVVRDRNFZ-AWEZNQCLSA-N 0 3 323.399 3.263 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1cn2ccccc2n1 ZINC001253246885 1105910430 /nfs/dbraw/zinc/91/04/30/1105910430.db2.gz DESMKFQBVWGDIO-KRWDZBQOSA-N 0 3 301.434 3.311 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC001253246357 1105910590 /nfs/dbraw/zinc/91/05/90/1105910590.db2.gz NYGNRNTVOMGVMC-MSOLQXFVSA-N 0 3 309.425 3.336 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@@H]1Cc2ccccc2NC1=O ZINC001253247852 1105910952 /nfs/dbraw/zinc/91/09/52/1105910952.db2.gz MWPINQQEKQDFHG-SJLPKXTDSA-N 0 3 316.445 3.027 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H]1Cc2ccccc2NC1=O ZINC001253247850 1105911377 /nfs/dbraw/zinc/91/13/77/1105911377.db2.gz MWPINQQEKQDFHG-AEFFLSMTSA-N 0 3 316.445 3.027 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H]1CCCc2nccnc21 ZINC001253255225 1105913026 /nfs/dbraw/zinc/91/30/26/1105913026.db2.gz HBIYXFOAMQMYNS-WBVHZDCISA-N 0 3 303.450 3.331 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CN(C[C@@H](F)CC)C[C@@]3(C)C2)CCC1 ZINC001101356372 1105913279 /nfs/dbraw/zinc/91/32/79/1105913279.db2.gz SFVCFHIIKPUYLP-RYRKJORJSA-N 0 3 322.468 3.261 20 30 DGEDHN CCCCCCCCCCCc1cn(C[C@H]2CNCCO2)nn1 ZINC001254059993 1106013803 /nfs/dbraw/zinc/01/38/03/1106013803.db2.gz PCZPPQNZACNYEX-GOSISDBHSA-N 0 3 322.497 3.340 20 30 DGEDHN N#Cc1ccccc1N1CCN(C2CCC(F)(F)CC2)CC1 ZINC001254217023 1106036624 /nfs/dbraw/zinc/03/66/24/1106036624.db2.gz PVFVLGRVZUVWFB-UHFFFAOYSA-N 0 3 305.372 3.258 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001102913605 1106119446 /nfs/dbraw/zinc/11/94/46/1106119446.db2.gz RDNGRQBPCCJHQY-UMVBOHGHSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001254645003 1106120910 /nfs/dbraw/zinc/12/09/10/1106120910.db2.gz COVASNNEQLGTGI-HNNXBMFYSA-N 0 3 315.335 3.405 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CN([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC001254660340 1106126829 /nfs/dbraw/zinc/12/68/29/1106126829.db2.gz XHOXXDGMTKDDMX-LSDHHAIUSA-N 0 3 319.449 3.012 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001254675766 1106131859 /nfs/dbraw/zinc/13/18/59/1106131859.db2.gz GNLYDEDQHAXVLD-LSDHHAIUSA-N 0 3 322.412 3.165 20 30 DGEDHN COC(=O)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC001254676663 1106131906 /nfs/dbraw/zinc/13/19/06/1106131906.db2.gz MWRIQHASVZDNTG-DDBAPUKQSA-N 0 3 312.413 3.305 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254676729 1106132010 /nfs/dbraw/zinc/13/20/10/1106132010.db2.gz NNKIKWOOSBTWIR-KBUPBQIOSA-N 0 3 307.438 3.056 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2C=CC=CC=C2)C1 ZINC001103043467 1106145777 /nfs/dbraw/zinc/14/57/77/1106145777.db2.gz XNDGPRZFYMFTBC-RHSMWYFYSA-N 0 3 320.864 3.112 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC23CC3)C1 ZINC001103141326 1106163948 /nfs/dbraw/zinc/16/39/48/1106163948.db2.gz AZIQHTJGSZEVAQ-FVQBIDKESA-N 0 3 324.896 3.393 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255152371 1106192046 /nfs/dbraw/zinc/19/20/46/1106192046.db2.gz SPGQBWOGQARRAU-APIJFGDWSA-N 0 3 307.438 3.199 20 30 DGEDHN CC[C@@H](CC#N)NC[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255152623 1106192192 /nfs/dbraw/zinc/19/21/92/1106192192.db2.gz ZGHZBDZVIZGHEM-XUWVNRHRSA-N 0 3 321.465 3.161 20 30 DGEDHN CC[C@@H](CC#N)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255154452 1106193181 /nfs/dbraw/zinc/19/31/81/1106193181.db2.gz DANPVAIGRCQOOD-YHUYYLMFSA-N 0 3 321.465 3.446 20 30 DGEDHN CC[C@H](CC#N)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255154450 1106193338 /nfs/dbraw/zinc/19/33/38/1106193338.db2.gz DANPVAIGRCQOOD-FPCVCCKLSA-N 0 3 321.465 3.446 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001255160529 1106194249 /nfs/dbraw/zinc/19/42/49/1106194249.db2.gz KXUQRGKWQMLDOR-AWEZNQCLSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC001255160600 1106194422 /nfs/dbraw/zinc/19/44/22/1106194422.db2.gz MIMWOXCGAXKNCW-MRXNPFEDSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@@H](CC#N)NC1(Cc2ccccc2OC)CCOCC1 ZINC001255162699 1106194883 /nfs/dbraw/zinc/19/48/83/1106194883.db2.gz XJJQUROWUNHPEO-INIZCTEOSA-N 0 3 302.418 3.069 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2cc(C)ccc2F)CC1 ZINC001255161282 1106194915 /nfs/dbraw/zinc/19/49/15/1106194915.db2.gz XVHFTFQPZYLLPX-INIZCTEOSA-N 0 3 303.425 3.380 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)C2CCCCC2)CC1 ZINC001255162774 1106194975 /nfs/dbraw/zinc/19/49/75/1106194975.db2.gz YSFLVZQVBQCFEO-ULQDDVLXSA-N 0 3 305.466 3.276 20 30 DGEDHN CC[C@H](CC#N)N(C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255179779 1106200551 /nfs/dbraw/zinc/20/05/51/1106200551.db2.gz RSFLVKHWBIDAAD-CQSZACIVSA-N 0 3 309.454 3.400 20 30 DGEDHN CC[C@@H](CC#N)N(C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255179777 1106200707 /nfs/dbraw/zinc/20/07/07/1106200707.db2.gz RSFLVKHWBIDAAD-AWEZNQCLSA-N 0 3 309.454 3.400 20 30 DGEDHN CCOC(=O)[C@H]1CCC[C@H](N2CCc3ccc(C#N)cc3C2)C1 ZINC001255355557 1106231619 /nfs/dbraw/zinc/23/16/19/1106231619.db2.gz CNKCALAXQGXOAA-WMZOPIPTSA-N 0 3 312.413 3.038 20 30 DGEDHN CCOC(=O)[C@@H]1CCC[C@@H](N2CCc3cc(C#N)ccc3C2)C1 ZINC001255358815 1106231912 /nfs/dbraw/zinc/23/19/12/1106231912.db2.gz XORDPYDLDLDFGX-SJLPKXTDSA-N 0 3 312.413 3.038 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@@H](C)c1c(C)noc1C)C(C)C ZINC001278911986 1106370722 /nfs/dbraw/zinc/37/07/22/1106370722.db2.gz HWSJZOAYQFQWMT-CQSZACIVSA-N 0 3 321.465 3.140 20 30 DGEDHN CN1CCC(NC2=C(c3ccccc3)C(=O)c3ccccc32)CC1 ZINC001256196656 1106388749 /nfs/dbraw/zinc/38/87/49/1106388749.db2.gz SOTXNTPIXOVONF-UHFFFAOYSA-N 0 3 318.420 3.435 20 30 DGEDHN C#CCN(CC#C)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256229518 1106393497 /nfs/dbraw/zinc/39/34/97/1106393497.db2.gz RHCIESJZVRSYOB-AWEZNQCLSA-N 0 3 304.231 3.339 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(OCC)cc1)C(C)C ZINC001278926615 1106401060 /nfs/dbraw/zinc/40/10/60/1106401060.db2.gz RYDWHQLQDQDSOT-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN N#CCOc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC001256523582 1106433371 /nfs/dbraw/zinc/43/33/71/1106433371.db2.gz PYULDKUANNGYME-SFHVURJKSA-N 0 3 311.360 3.364 20 30 DGEDHN N=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001256791109 1106484240 /nfs/dbraw/zinc/48/42/40/1106484240.db2.gz XBVYBHPZJTYPFU-ZBFHGGJFSA-N 0 3 315.804 3.361 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](F)CC)c1ccccc1CC ZINC001278969954 1106499364 /nfs/dbraw/zinc/49/93/64/1106499364.db2.gz UBIMBVLODMHMTB-SJORKVTESA-N 0 3 306.425 3.320 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cncc(C)c1)c1ccccc1CC ZINC001278969921 1106499991 /nfs/dbraw/zinc/49/99/91/1106499991.db2.gz SUQIJRLQCGHHRB-IBGZPJMESA-N 0 3 323.440 3.199 20 30 DGEDHN N#Cc1ccc(C2CCC(NCC(=O)c3cccnc3)CC2)cc1 ZINC001257012429 1106523832 /nfs/dbraw/zinc/52/38/32/1106523832.db2.gz FVZQPQCGSGCCHU-UHFFFAOYSA-N 0 3 319.408 3.452 20 30 DGEDHN CO[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001257016558 1106524914 /nfs/dbraw/zinc/52/49/14/1106524914.db2.gz GFAUFAVPUJKKCJ-FOIPXRHGSA-N 0 3 302.393 3.253 20 30 DGEDHN CCOC(=O)c1ccc(C[C@H](C)NCc2cc(C#N)co2)cc1 ZINC001257153542 1106545076 /nfs/dbraw/zinc/54/50/76/1106545076.db2.gz FQBPDSFLMNGLBX-ZDUSSCGKSA-N 0 3 312.369 3.049 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](CNCc1cnoc1C)C(C)(C)C ZINC001278996354 1106546104 /nfs/dbraw/zinc/54/61/04/1106546104.db2.gz WJDKSQDSPDLLLG-ZBFHGGJFSA-N 0 3 321.465 3.206 20 30 DGEDHN CC(C)[C@H]1C[C@@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257177464 1106548611 /nfs/dbraw/zinc/54/86/11/1106548611.db2.gz BQXQDBOTBRUJCO-SOUVJXGZSA-N 0 3 309.454 3.302 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001279003331 1106555754 /nfs/dbraw/zinc/55/57/54/1106555754.db2.gz WTDIQRMHVRUTQY-PBHICJAKSA-N 0 3 323.506 3.366 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257580344 1106609003 /nfs/dbraw/zinc/60/90/03/1106609003.db2.gz FXMPRQIRSRJURS-XGUBFFRZSA-N 0 3 309.454 3.445 20 30 DGEDHN N#Cc1cc(CN[C@H]2COc3ccc(Cl)cc3C2)cs1 ZINC001257955726 1106650224 /nfs/dbraw/zinc/65/02/24/1106650224.db2.gz KVPYCKBKFNESDA-CYBMUJFWSA-N 0 3 304.802 3.366 20 30 DGEDHN CCCCCCC[C@@H](C)N1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001258043364 1106663963 /nfs/dbraw/zinc/66/39/63/1106663963.db2.gz NTWZZCWRYHGVCR-GDBMZVCRSA-N 0 3 312.498 3.336 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CCN(Cc2cccnc2)CC1 ZINC001279089416 1106713738 /nfs/dbraw/zinc/71/37/38/1106713738.db2.gz BXQGDUSGBKXJQZ-OAHLLOKOSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001279096612 1106732931 /nfs/dbraw/zinc/73/29/31/1106732931.db2.gz CBCQQBOYOZQNTC-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCC3CCCCCC3)C2)C1 ZINC001258457162 1106755668 /nfs/dbraw/zinc/75/56/68/1106755668.db2.gz TUSRYSMYBWWTOK-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc2ccccc2cc1F)C1CC1 ZINC001316921515 1106765336 /nfs/dbraw/zinc/76/53/36/1106765336.db2.gz NXBGEKRAOYXFQT-UHFFFAOYSA-N 0 3 324.399 3.196 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(C[C@@H](F)CC)C2CC2)CC1 ZINC001316922315 1106766926 /nfs/dbraw/zinc/76/69/26/1106766926.db2.gz ITPVHUODNSNVAY-INIZCTEOSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)Cc1cc(C)ccc1C ZINC001319991321 1106769946 /nfs/dbraw/zinc/76/99/46/1106769946.db2.gz JATPAZLXAVKCOL-UHFFFAOYSA-N 0 3 314.473 3.387 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](CCC)c2ccccn2)CC1 ZINC001316936374 1106785254 /nfs/dbraw/zinc/78/52/54/1106785254.db2.gz WCTNXWIQDGKRCV-QGZVFWFLSA-N 0 3 315.461 3.074 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001320041369 1106811083 /nfs/dbraw/zinc/81/10/83/1106811083.db2.gz FKVOEWBTOVKNFZ-SFHVURJKSA-N 0 3 314.473 3.292 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001316948671 1106811336 /nfs/dbraw/zinc/81/13/36/1106811336.db2.gz HITCGHJGTYZJRI-HOTGVXAUSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001316950950 1106816293 /nfs/dbraw/zinc/81/62/93/1106816293.db2.gz GHPVURQBCYXPPX-IUODEOHRSA-N 0 3 321.490 3.309 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001320079447 1106846654 /nfs/dbraw/zinc/84/66/54/1106846654.db2.gz VXGBIXNDRFTEAB-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccccc2F)C1 ZINC001320098508 1106870874 /nfs/dbraw/zinc/87/08/74/1106870874.db2.gz RTQVOXDTYNLLRK-WMZOPIPTSA-N 0 3 316.420 3.215 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001317086691 1106983165 /nfs/dbraw/zinc/98/31/65/1106983165.db2.gz DBRZMTXCVJFTEZ-HDJSIYSDSA-N 0 3 321.852 3.074 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317090919 1106988391 /nfs/dbraw/zinc/98/83/91/1106988391.db2.gz WNILUZMTGDTYNC-GUDVDZBRSA-N 0 3 312.457 3.101 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001317140981 1107045427 /nfs/dbraw/zinc/04/54/27/1107045427.db2.gz PCJFIWXLJIJMFL-CYXJOQHWSA-N 0 3 324.468 3.250 20 30 DGEDHN Cc1ncc2c(n1)CCC[C@@H]2NC1CC(C#N)(c2ccccc2)C1 ZINC001320562768 1107054101 /nfs/dbraw/zinc/05/41/01/1107054101.db2.gz NRMYYGKHFLBKBJ-AJPWXKBRSA-N 0 3 318.424 3.376 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(C)c1Cl ZINC001317175087 1107093967 /nfs/dbraw/zinc/09/39/67/1107093967.db2.gz XGLHSHSLYFKFCP-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCCC(F)(F)F ZINC001317178768 1107098493 /nfs/dbraw/zinc/09/84/93/1107098493.db2.gz NMDGGFYLHSCWMR-CYBMUJFWSA-N 0 3 306.372 3.266 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#CC ZINC001317210744 1107130854 /nfs/dbraw/zinc/13/08/54/1107130854.db2.gz ZXJJRCKAJPOIHH-RTBURBONSA-N 0 3 314.473 3.049 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)c1ccccc1C(C)(C)CC ZINC001317248271 1107172353 /nfs/dbraw/zinc/17/23/53/1107172353.db2.gz RTJPEIGYJJGNIH-HNNXBMFYSA-N 0 3 300.446 3.105 20 30 DGEDHN C=CCN1CCC(NC(=O)NC(C)(C)C2CCCCC2)CC1 ZINC001320907550 1107185224 /nfs/dbraw/zinc/18/52/24/1107185224.db2.gz KFLXIWDIKMNQJV-UHFFFAOYSA-N 0 3 307.482 3.295 20 30 DGEDHN CC(C(=O)NC/C=C\CNCc1ccc(C#N)cc1)=C1CCCC1 ZINC001321012470 1107220354 /nfs/dbraw/zinc/22/03/54/1107220354.db2.gz JQNMZLDIEGDTBI-PLNGDYQASA-N 0 3 323.440 3.211 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CN[C@H](C)c1cccc(OC)c1 ZINC001321188216 1107279095 /nfs/dbraw/zinc/27/90/95/1107279095.db2.gz GEXJRCGAHISFPL-MVGZEHJDSA-N 0 3 316.445 3.230 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001317381941 1107290112 /nfs/dbraw/zinc/29/01/12/1107290112.db2.gz CCAJZIWIORDVRW-SQNIBIBYSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001317384178 1107294283 /nfs/dbraw/zinc/29/42/83/1107294283.db2.gz LPDHEYHJSNUFMM-VQTJNVASSA-N 0 3 324.468 3.292 20 30 DGEDHN C=CCC1(C(=O)NC/C=C/CNCc2cccc(C#N)c2)CCC1 ZINC001321234204 1107297369 /nfs/dbraw/zinc/29/73/69/1107297369.db2.gz VRJQZPJSLPJXDL-ONEGZZNKSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001317405372 1107325551 /nfs/dbraw/zinc/32/55/51/1107325551.db2.gz JGOPTWSZPRHHFW-HNAYVOBHSA-N 0 3 313.445 3.145 20 30 DGEDHN CCC[C@H](C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001321478333 1107361152 /nfs/dbraw/zinc/36/11/52/1107361152.db2.gz HHHATNPBJLDSPP-LSDHHAIUSA-N 0 3 320.864 3.222 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C(C)(C)C1CCC1 ZINC001321599683 1107389674 /nfs/dbraw/zinc/38/96/74/1107389674.db2.gz IWIRQWRAOJZGLE-GFCCVEGCSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2ccc(F)c(F)c2)CCC1 ZINC001321637546 1107401646 /nfs/dbraw/zinc/40/16/46/1107401646.db2.gz QIQHEFZMMXEBAC-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001321686254 1107411308 /nfs/dbraw/zinc/41/13/08/1107411308.db2.gz UZBHFZCHGBRMSD-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN CCN(CCNC(=O)C#CC1CC1)[C@@H](C)c1cccc(Cl)c1 ZINC001317479542 1107434232 /nfs/dbraw/zinc/43/42/32/1107434232.db2.gz HWNXQCZALSPBCL-AWEZNQCLSA-N 0 3 318.848 3.253 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001321859650 1107451826 /nfs/dbraw/zinc/45/18/26/1107451826.db2.gz GSTQUFLIACMRCF-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001317508897 1107469528 /nfs/dbraw/zinc/46/95/28/1107469528.db2.gz GKZZCHUNAWZDOL-WMZOPIPTSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001317508869 1107470018 /nfs/dbraw/zinc/47/00/18/1107470018.db2.gz GGYWQHDUADPTEB-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001317534278 1107496044 /nfs/dbraw/zinc/49/60/44/1107496044.db2.gz QSMTYBPCMBCHLD-DLBZAZTESA-N 0 3 304.478 3.054 20 30 DGEDHN N#Cc1cccnc1NCCNCc1cc2cc(F)ccc2o1 ZINC001322089380 1107506012 /nfs/dbraw/zinc/50/60/12/1107506012.db2.gz PEGGQFWEEHAVHD-UHFFFAOYSA-N 0 3 310.332 3.040 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C1CC1)C1CC1 ZINC001261703384 1107506847 /nfs/dbraw/zinc/50/68/47/1107506847.db2.gz BAOPXYPZSFOCPF-SJORKVTESA-N 0 3 302.462 3.064 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)Cc1cccc(F)c1)C1CC1 ZINC001317561183 1107543909 /nfs/dbraw/zinc/54/39/09/1107543909.db2.gz WAJHCSLCDOLSOY-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001322231853 1107582061 /nfs/dbraw/zinc/58/20/61/1107582061.db2.gz WYRMGQKMUKWEAW-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001322258640 1107595270 /nfs/dbraw/zinc/59/52/70/1107595270.db2.gz PBCDQQYDCQDBAE-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)C1=CCCC1 ZINC001317683255 1107602544 /nfs/dbraw/zinc/60/25/44/1107602544.db2.gz XIBJWOOVKFDBEF-UHFFFAOYSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001317771329 1107656983 /nfs/dbraw/zinc/65/69/83/1107656983.db2.gz YUVALCHAHIDCIS-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCCNCc1ccc(F)cc1Cl ZINC001322501877 1107691296 /nfs/dbraw/zinc/69/12/96/1107691296.db2.gz KAFSJRPWGLXRIF-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H]1CCCC1(F)F ZINC001322661479 1107729529 /nfs/dbraw/zinc/72/95/29/1107729529.db2.gz FUOSHERCUYVTIS-GFCCVEGCSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001317972728 1107776058 /nfs/dbraw/zinc/77/60/58/1107776058.db2.gz JXRCUCZQIRJEGW-RURPWVQCSA-N 0 3 312.457 3.332 20 30 DGEDHN O=C(CC1CCCC1)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001322957298 1107788493 /nfs/dbraw/zinc/78/84/93/1107788493.db2.gz YYKICVDOCUGPHF-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCN(CC=C)C(=O)CN(CCc1ccccc1)C(C)C ZINC001318065650 1107820119 /nfs/dbraw/zinc/82/01/19/1107820119.db2.gz UTDRTQOIZGCGCX-UHFFFAOYSA-N 0 3 300.446 3.140 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(Cc2ccccc2)CCC1 ZINC001323246665 1107903511 /nfs/dbraw/zinc/90/35/11/1107903511.db2.gz OOWDNJNGSCBMSB-GOSISDBHSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001323260247 1107907659 /nfs/dbraw/zinc/90/76/59/1107907659.db2.gz GDSJDOXLZWWUBC-INIZCTEOSA-N 0 3 303.450 3.182 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)CCCC1 ZINC001318232397 1107909872 /nfs/dbraw/zinc/90/98/72/1107909872.db2.gz HHUZHVQRRCXNET-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC001323371283 1107955388 /nfs/dbraw/zinc/95/53/88/1107955388.db2.gz KXFMKZHJEYVNTE-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001318374516 1107966762 /nfs/dbraw/zinc/96/67/62/1107966762.db2.gz SSKRWGUMNGRASQ-SJORKVTESA-N 0 3 304.409 3.086 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001318424557 1107994824 /nfs/dbraw/zinc/99/48/24/1107994824.db2.gz PHUFXBINBQGHFB-MRXNPFEDSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(CCCc2ccsc2)C1 ZINC001318424556 1107996937 /nfs/dbraw/zinc/99/69/37/1107996937.db2.gz PHUFXBINBQGHFB-INIZCTEOSA-N 0 3 320.502 3.426 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001323520238 1107996942 /nfs/dbraw/zinc/99/69/42/1107996942.db2.gz TWZYZRVKFQIKBD-AWEZNQCLSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001318474216 1108033587 /nfs/dbraw/zinc/03/35/87/1108033587.db2.gz SVHPWLFSNKHMCN-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CC(C)(C)c2ccccc2)C1 ZINC001318491983 1108053182 /nfs/dbraw/zinc/05/31/82/1108053182.db2.gz MSWOEAFZWAFWFF-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C#CC(C)C)CC1 ZINC001323720883 1108065805 /nfs/dbraw/zinc/06/58/05/1108065805.db2.gz UTHUGZQJGHGHPH-UHFFFAOYSA-N 0 3 322.880 3.101 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC001263616186 1108110675 /nfs/dbraw/zinc/11/06/75/1108110675.db2.gz PVOJLKDYPDCOPT-UWVGGRQHSA-N 0 3 300.189 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001263616635 1108111616 /nfs/dbraw/zinc/11/16/16/1108111616.db2.gz BJUDYAHCYWNXDH-ZLDLUXBVSA-N 0 3 307.344 3.295 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001318654648 1108140367 /nfs/dbraw/zinc/14/03/67/1108140367.db2.gz XFWNQKGZQAERTK-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CC(C)C)CCCC[C@H]1C ZINC001318740221 1108175956 /nfs/dbraw/zinc/17/59/56/1108175956.db2.gz FSQAROTXTPDRPR-CZUORRHYSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)c1ccc(C)o1)C1CC1 ZINC001318715892 1108165478 /nfs/dbraw/zinc/16/54/78/1108165478.db2.gz AAGTYOXJJMRWPW-SUMWQHHRSA-N 0 3 324.852 3.319 20 30 DGEDHN C=CCC[NH2+]C[C@]1(NC(=O)c2ccccc2[O-])CCCC[C@@H]1C ZINC001318739959 1108173986 /nfs/dbraw/zinc/17/39/86/1108173986.db2.gz DTVQDQURQWLDKJ-HNAYVOBHSA-N 0 3 316.445 3.237 20 30 DGEDHN C=CCC[NH2+]C[C@]1(NC(=O)c2ccccc2[O-])CCCC[C@H]1C ZINC001318739958 1108174213 /nfs/dbraw/zinc/17/42/13/1108174213.db2.gz DTVQDQURQWLDKJ-DNVCBOLYSA-N 0 3 316.445 3.237 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001263807913 1108213492 /nfs/dbraw/zinc/21/34/92/1108213492.db2.gz SXWFQZMMUJELSW-HNNXBMFYSA-N 0 3 303.450 3.080 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCc1cncc(C)c1 ZINC001324232973 1108216470 /nfs/dbraw/zinc/21/64/70/1108216470.db2.gz DXMBNOXMNPTIAH-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001263814647 1108222195 /nfs/dbraw/zinc/22/21/95/1108222195.db2.gz JKVFLFLBMFWXBJ-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001324588416 1108359327 /nfs/dbraw/zinc/35/93/27/1108359327.db2.gz ISFQUGSPYOFCMO-LJQANCHMSA-N 0 3 311.429 3.215 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@H](NCc2cncs2)C1 ZINC001264118951 1108382980 /nfs/dbraw/zinc/38/29/80/1108382980.db2.gz RGEJPDVJBJIXHZ-HNNXBMFYSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001324671395 1108416279 /nfs/dbraw/zinc/41/62/79/1108416279.db2.gz DHPKOXHJCKKKRH-XLIONFOSSA-N 0 3 312.457 3.263 20 30 DGEDHN CC1(CC(=O)NCC2(NCC#Cc3ccccc3)CCCC2)CC1 ZINC001319363497 1108430746 /nfs/dbraw/zinc/43/07/46/1108430746.db2.gz DLIXWJFSPJQDCF-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](CC)CC(C)C)CC(C)(C)C1 ZINC001264196956 1108433212 /nfs/dbraw/zinc/43/32/12/1108433212.db2.gz PSSUOJGARJCBNC-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)[C@@H](C)CC)CCCC1 ZINC001319379244 1108439055 /nfs/dbraw/zinc/43/90/55/1108439055.db2.gz OBWYACSXEPVVJP-JSGCOSHPSA-N 0 3 300.874 3.440 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319429522 1108462523 /nfs/dbraw/zinc/46/25/23/1108462523.db2.gz IKYFTCFLSCVQIV-QZTJIDSGSA-N 0 3 314.473 3.301 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319463869 1108481180 /nfs/dbraw/zinc/48/11/80/1108481180.db2.gz KPLIPXIOYPREEN-QGZVFWFLSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001264372581 1108484049 /nfs/dbraw/zinc/48/40/49/1108484049.db2.gz ICGIGWGXNXMDDK-KRWDZBQOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1F ZINC001264374181 1108485998 /nfs/dbraw/zinc/48/59/98/1108485998.db2.gz BCBYVWGHTXFELJ-OAHLLOKOSA-N 0 3 319.424 3.113 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001264413009 1108517851 /nfs/dbraw/zinc/51/78/51/1108517851.db2.gz IHYYETZKGDPCOQ-BETUJISGSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@H](C)SC ZINC001319740776 1108618446 /nfs/dbraw/zinc/61/84/46/1108618446.db2.gz KHNYFZORHKYPHH-UONOGXRCSA-N 0 3 318.914 3.241 20 30 DGEDHN N#CCc1cccc(NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC001319740421 1108618454 /nfs/dbraw/zinc/61/84/54/1108618454.db2.gz NFDHSPVVFNGPLV-INIZCTEOSA-N 0 3 310.401 3.380 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1CC ZINC001325367790 1108636520 /nfs/dbraw/zinc/63/65/20/1108636520.db2.gz ZJKVQZBOBKRWOE-QZTJIDSGSA-N 0 3 318.436 3.013 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccsc1 ZINC001264743216 1108642926 /nfs/dbraw/zinc/64/29/26/1108642926.db2.gz XBFJPQBPRWTVKC-ZBFHGGJFSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001319838765 1108659154 /nfs/dbraw/zinc/65/91/54/1108659154.db2.gz TUAHGQIQSDEFSX-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C[N@H+](C)CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001319874902 1108673808 /nfs/dbraw/zinc/67/38/08/1108673808.db2.gz HWKNQLCQBHNRGW-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(C)C[N@@H+](C)CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001319874902 1108673813 /nfs/dbraw/zinc/67/38/13/1108673813.db2.gz HWKNQLCQBHNRGW-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCC1CCCC1)C(C)C ZINC001319893603 1108682928 /nfs/dbraw/zinc/68/29/28/1108682928.db2.gz ANNIOQDYEIPHFU-OAHLLOKOSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)C1CCCC1)C(C)C ZINC001319957923 1108714931 /nfs/dbraw/zinc/71/49/31/1108714931.db2.gz TWNQHVJDESJIDF-HIFRSBDPSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)C1CCCC1)C(C)C ZINC001319957924 1108715413 /nfs/dbraw/zinc/71/54/13/1108715413.db2.gz TWNQHVJDESJIDF-UKRRQHHQSA-N 0 3 300.874 3.296 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C1CC1 ZINC001265169155 1108757487 /nfs/dbraw/zinc/75/74/87/1108757487.db2.gz TZRCSOGFVQFUOA-MSOLQXFVSA-N 0 3 316.489 3.219 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCC[C@@H]1CCC)C1CC1 ZINC001265167648 1108758087 /nfs/dbraw/zinc/75/80/87/1108758087.db2.gz WWPMTASWYDEVIR-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCCCC1(C)C)C1CC1 ZINC001265184213 1108763616 /nfs/dbraw/zinc/76/36/16/1108763616.db2.gz USLVHSYQVSBJBD-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC001265203547 1108774734 /nfs/dbraw/zinc/77/47/34/1108774734.db2.gz LWJJHSSZGAPIQM-OCCSQVGLSA-N 0 3 307.463 3.000 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001265211250 1108779160 /nfs/dbraw/zinc/77/91/60/1108779160.db2.gz SOAYLCDRLAZLIY-KRWDZBQOSA-N 0 3 318.486 3.249 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001265230757 1108792667 /nfs/dbraw/zinc/79/26/67/1108792667.db2.gz LGAMNNHTBFYKCI-HKUYNNGSSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccsc1 ZINC001265408483 1108865371 /nfs/dbraw/zinc/86/53/71/1108865371.db2.gz JXENDINMKBHMPJ-CALCHBBNSA-N 0 3 318.486 3.322 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]c1C ZINC001265413515 1108866182 /nfs/dbraw/zinc/86/61/82/1108866182.db2.gz UWTSYJFOJWZEMV-BHYGNILZSA-N 0 3 315.461 3.275 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)CC)C1 ZINC001265523016 1108899243 /nfs/dbraw/zinc/89/92/43/1108899243.db2.gz GKGOYZMOKOJLIC-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001265655295 1108953556 /nfs/dbraw/zinc/95/35/56/1108953556.db2.gz DXPVNOFHWHTERB-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CC=C)CCCCC2)C1 ZINC001265708101 1108979244 /nfs/dbraw/zinc/97/92/44/1108979244.db2.gz JRYROIPTTZTOHQ-ZWKOTPCHSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001265812947 1109011658 /nfs/dbraw/zinc/01/16/58/1109011658.db2.gz HPUKJFSPNMKQJN-LSDHHAIUSA-N 0 3 306.425 3.331 20 30 DGEDHN CC[C@@H](C)CC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001265834722 1109020543 /nfs/dbraw/zinc/02/05/43/1109020543.db2.gz YIERFXYXLWJDNH-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001265841885 1109022321 /nfs/dbraw/zinc/02/23/21/1109022321.db2.gz YFMPPNUBLLADJG-UIAACRFSSA-N 0 3 320.436 3.061 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001266006438 1109061964 /nfs/dbraw/zinc/06/19/64/1109061964.db2.gz LLVYWBGXSKCAEH-GDBMZVCRSA-N 0 3 321.852 3.115 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC001266144749 1109107528 /nfs/dbraw/zinc/10/75/28/1109107528.db2.gz YYURMAWMTRPUEN-ZIAGYGMSSA-N 0 3 322.399 3.170 20 30 DGEDHN C#CCN(CCCNC(=O)C1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC001266149944 1109108820 /nfs/dbraw/zinc/10/88/20/1109108820.db2.gz MIRCUQQEGYGDAD-UHFFFAOYSA-N 0 3 318.505 3.443 20 30 DGEDHN CCCC(=O)NCCC[C@@H]1CCCN1Cc1ccccc1C#N ZINC001266195979 1109123344 /nfs/dbraw/zinc/12/33/44/1109123344.db2.gz NJRXPFZIUCQAEH-GOSISDBHSA-N 0 3 313.445 3.219 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N2CCC[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001266217445 1109130398 /nfs/dbraw/zinc/13/03/98/1109130398.db2.gz AAFWLIZLVSDCLD-HKUYNNGSSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001266242809 1109137968 /nfs/dbraw/zinc/13/79/68/1109137968.db2.gz HUJVDIWNBGIZMM-MRXNPFEDSA-N 0 3 319.449 3.232 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCCCCCC ZINC001279589233 1109157169 /nfs/dbraw/zinc/15/71/69/1109157169.db2.gz WRPRHEVQELSEEH-MSOLQXFVSA-N 0 3 304.478 3.436 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2ccc(C)cc2C)CC1 ZINC001279607162 1109157740 /nfs/dbraw/zinc/15/77/40/1109157740.db2.gz HZQWWNZMTMUXEH-UHFFFAOYSA-N 0 3 312.457 3.170 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001279940039 1109168223 /nfs/dbraw/zinc/16/82/23/1109168223.db2.gz CJKAAUHIZPHSDX-HNNXBMFYSA-N 0 3 306.837 3.189 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001280219337 1109180412 /nfs/dbraw/zinc/18/04/12/1109180412.db2.gz KLSZVZFYJFDCBT-HUUCEWRRSA-N 0 3 324.852 3.272 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1(F)CCCC1 ZINC001280324962 1109186163 /nfs/dbraw/zinc/18/61/63/1109186163.db2.gz NOPPZLKEZXYLSC-UHFFFAOYSA-N 0 3 304.409 3.203 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCc2ccoc2)cc1 ZINC001280350866 1109188197 /nfs/dbraw/zinc/18/81/97/1109188197.db2.gz PQCJYQFFVRBBPQ-INIZCTEOSA-N 0 3 324.424 3.203 20 30 DGEDHN CC#CCNC1(CNC(=O)Cc2cccc3ccccc32)CCC1 ZINC001280534112 1109219807 /nfs/dbraw/zinc/21/98/07/1109219807.db2.gz OXCVWFBTESXASE-UHFFFAOYSA-N 0 3 320.436 3.034 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001280733089 1109244520 /nfs/dbraw/zinc/24/45/20/1109244520.db2.gz MATYFZHKXZLJFZ-KRWDZBQOSA-N 0 3 316.420 3.100 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1occc1-c1ccccc1 ZINC001280833092 1109260890 /nfs/dbraw/zinc/26/08/90/1109260890.db2.gz SYUHDRIVTQNKJR-UHFFFAOYSA-N 0 3 324.424 3.364 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)/C=C(/C)CC)C1 ZINC001280889051 1109270153 /nfs/dbraw/zinc/27/01/53/1109270153.db2.gz IWEGQQUMXNPHTG-PIIWLPLESA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCCF ZINC001281070552 1109299141 /nfs/dbraw/zinc/29/91/41/1109299141.db2.gz HHMMWANMDYFCDJ-GOSISDBHSA-N 0 3 318.436 3.245 20 30 DGEDHN CCCCCCN1Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2C1 ZINC001281292677 1109324381 /nfs/dbraw/zinc/32/43/81/1109324381.db2.gz HLJCFRBJKMMXHD-HNNXBMFYSA-N 0 3 313.445 3.358 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001281657195 1109389968 /nfs/dbraw/zinc/38/99/68/1109389968.db2.gz CGCGEAVAXQEREX-KBPBESRZSA-N 0 3 318.383 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1cc(F)ccc1F ZINC001281741345 1109401613 /nfs/dbraw/zinc/40/16/13/1109401613.db2.gz LZWFLYKQYJKGCM-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1oc(C(C)C)nc1C ZINC001281740920 1109402067 /nfs/dbraw/zinc/40/20/67/1109402067.db2.gz DVPDHPQFZKSXNV-ZDUSSCGKSA-N 0 3 321.465 3.303 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C(C)C)cn1 ZINC001281748053 1109403139 /nfs/dbraw/zinc/40/31/39/1109403139.db2.gz LRMNUIZMNNSJAO-ZDUSSCGKSA-N 0 3 309.841 3.056 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001281749310 1109404067 /nfs/dbraw/zinc/40/40/67/1109404067.db2.gz STLQMZIRNWLQSS-KKUMJFAQSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1F ZINC001281955528 1109420844 /nfs/dbraw/zinc/42/08/44/1109420844.db2.gz NLFNDECJTXVTRW-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC001281969946 1109425609 /nfs/dbraw/zinc/42/56/09/1109425609.db2.gz RFVIDBQCDJPELY-CQSZACIVSA-N 0 3 304.459 3.348 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)c(C)cn1 ZINC001282303105 1109481494 /nfs/dbraw/zinc/48/14/94/1109481494.db2.gz LPYIQTAYJQFXOG-UHFFFAOYSA-N 0 3 323.868 3.139 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001282388600 1109499948 /nfs/dbraw/zinc/49/99/48/1109499948.db2.gz IYQKHNZUKCBRQX-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001316620779 1109525664 /nfs/dbraw/zinc/52/56/64/1109525664.db2.gz SFMYXKKBSCLJBF-CALCHBBNSA-N 0 3 320.864 3.083 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccc3c(c2)CCC3)C1 ZINC001282693048 1109553408 /nfs/dbraw/zinc/55/34/08/1109553408.db2.gz LBRBUAFSHBOCPV-OAHLLOKOSA-N 0 3 312.457 3.078 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC001282789768 1109565453 /nfs/dbraw/zinc/56/54/53/1109565453.db2.gz CBMBYVJAZIZGRF-OAHLLOKOSA-N 0 3 321.490 3.330 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C=C(\C)C3CC3)C[C@H]2C1 ZINC001282941261 1109581828 /nfs/dbraw/zinc/58/18/28/1109581828.db2.gz WGPSXGQZSODJNK-WGTVYZGISA-N 0 3 322.880 3.312 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001282958966 1109584559 /nfs/dbraw/zinc/58/45/59/1109584559.db2.gz ROOFNXIPTJDCFT-BZUAXINKSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001283111367 1109595628 /nfs/dbraw/zinc/59/56/28/1109595628.db2.gz QFDBAPIXQVTSPW-WJYNOGRTSA-N 0 3 318.848 3.415 20 30 DGEDHN CCC(CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001283572769 1109655652 /nfs/dbraw/zinc/65/56/52/1109655652.db2.gz RFXNVHLEEAORAU-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001316628497 1109657423 /nfs/dbraw/zinc/65/74/23/1109657423.db2.gz OLAOVZSWKJEJEG-KOMQPUFPSA-N 0 3 304.409 3.085 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001283629105 1109663190 /nfs/dbraw/zinc/66/31/90/1109663190.db2.gz FECLCXPKTDMWSP-CQSZACIVSA-N 0 3 314.454 3.283 20 30 DGEDHN C[C@@H](CN(C)C(=O)C1(C)CCCC1)NCc1ccc(C#N)s1 ZINC001283655266 1109667499 /nfs/dbraw/zinc/66/74/99/1109667499.db2.gz WGGOAJWQQRIBKB-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c3ccccc23)C1 ZINC001284013677 1109715174 /nfs/dbraw/zinc/71/51/74/1109715174.db2.gz JXFBTOXGGJRPKV-DLBZAZTESA-N 0 3 320.436 3.364 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCCCCC)CCC[C@@H]12 ZINC001284069803 1109728534 /nfs/dbraw/zinc/72/85/34/1109728534.db2.gz HJTZTUSONFZGSR-IEBWSBKVSA-N 0 3 304.478 3.483 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCF)[C@H]2C)CCCC1 ZINC001284147838 1109748536 /nfs/dbraw/zinc/74/85/36/1109748536.db2.gz AREYHAVADAGJIH-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCOc2ccccc2)[C@H]1C ZINC001284154926 1109749989 /nfs/dbraw/zinc/74/99/89/1109749989.db2.gz RHGDLXOPPYLLEZ-AEFFLSMTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)[C@H]1C ZINC001284156096 1109750686 /nfs/dbraw/zinc/75/06/86/1109750686.db2.gz WQQNQUMTEKSWFR-UKRRQHHQSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001284794720 1109862324 /nfs/dbraw/zinc/86/23/24/1109862324.db2.gz LMASWFGYWZEITR-NRXISQOPSA-N 0 3 300.874 3.390 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCC(=C)C)C1 ZINC001284737955 1109852802 /nfs/dbraw/zinc/85/28/02/1109852802.db2.gz OSRYOTWUCQGDBK-KGLIPLIRSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2cccc(Cl)n2)C1 ZINC001284784449 1109859934 /nfs/dbraw/zinc/85/99/34/1109859934.db2.gz IJAZNXJDYFFVAK-UHFFFAOYSA-N 0 3 321.852 3.026 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCc2ncccc2C)C1 ZINC001284789915 1109860826 /nfs/dbraw/zinc/86/08/26/1109860826.db2.gz KHRBICFBPDMXBJ-LADRWXRNSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCCCCn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001301187936 1111083866 /nfs/dbraw/zinc/08/38/66/1111083866.db2.gz FJQZQBFYLSYZKT-HZPDHXFCSA-N 0 3 319.497 3.116 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001317458282 1111231194 /nfs/dbraw/zinc/23/11/94/1111231194.db2.gz GATLQPFJFLYXAL-UHFFFAOYSA-N 0 3 300.446 3.324 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccc(C#C)cc1)Cc1ccccc1 ZINC001307751912 1111335878 /nfs/dbraw/zinc/33/58/78/1111335878.db2.gz BSEDGBVGSPARPX-UHFFFAOYSA-N 0 3 316.404 3.132 20 30 DGEDHN C#Cc1ccc(CN[C@H]2CCCN(c3ccc(C)cc3)C2=O)cc1 ZINC001308291289 1111411926 /nfs/dbraw/zinc/41/19/26/1111411926.db2.gz WFTKNWOFUVSOSF-FQEVSTJZSA-N 0 3 318.420 3.262 20 30 DGEDHN COc1cc(CNCc2cccc3ncccc23)ccc1C#N ZINC001308395493 1111425199 /nfs/dbraw/zinc/42/51/99/1111425199.db2.gz QJUFMJKHGCUFLE-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN FC(F)(F)c1ccnc(CCNCC#Cc2ccccc2)c1 ZINC001308792056 1111475672 /nfs/dbraw/zinc/47/56/72/1111475672.db2.gz HQUPHOJSUFODEF-UHFFFAOYSA-N 0 3 304.315 3.284 20 30 DGEDHN C#CCCOC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001309556363 1111530375 /nfs/dbraw/zinc/53/03/75/1111530375.db2.gz ASXYXOGLQYRFBE-SFHVURJKSA-N 0 3 316.445 3.237 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C)c(C)c1Cl ZINC001316860181 1111541617 /nfs/dbraw/zinc/54/16/17/1111541617.db2.gz VUWUVXUNBHJEQJ-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN C#CCC1(C(=O)NCCCN(C)C[C@@H](F)CC)CCCCC1 ZINC001316866697 1111651966 /nfs/dbraw/zinc/65/19/66/1111651966.db2.gz AXAWZOIDWZXRKS-INIZCTEOSA-N 0 3 310.457 3.146 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)CCC(C)(C)C)C[C@@H]2C1 ZINC001316759162 1111724560 /nfs/dbraw/zinc/72/45/60/1111724560.db2.gz QTDQRJXKJMNNSR-KURKYZTESA-N 0 3 318.505 3.252 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001316718644 1111735961 /nfs/dbraw/zinc/73/59/61/1111735961.db2.gz HWFVOHLDRNCBCF-PVAVHDDUSA-N 0 3 304.478 3.051 20 30 DGEDHN Cc1cc(CN2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)c(C)s1 ZINC001316780688 1111764590 /nfs/dbraw/zinc/76/45/90/1111764590.db2.gz DCWUMXPIUNSYDV-PBHICJAKSA-N 0 3 318.486 3.103 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](Cc2ccccc2)C(C)C)[C@H]1C ZINC001316793570 1111768477 /nfs/dbraw/zinc/76/84/77/1111768477.db2.gz ZIOUIUMMLVSONL-NEWSRXKRSA-N 0 3 314.473 3.266 20 30 DGEDHN CC[C@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278303520 214078903 /nfs/dbraw/zinc/07/89/03/214078903.db2.gz SEEIZOFCROJACP-RBUKOAKNSA-N 0 3 310.397 3.341 20 30 DGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C)C2CC2)c1C ZINC000076553212 185022806 /nfs/dbraw/zinc/02/28/06/185022806.db2.gz WDLWCPZTHJCRIM-MRXNPFEDSA-N 0 3 313.445 3.280 20 30 DGEDHN Cc1cc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc(C#N)n1 ZINC000308277187 231095926 /nfs/dbraw/zinc/09/59/26/231095926.db2.gz HQPCHPANBVAYKE-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN CC[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000278758208 214379421 /nfs/dbraw/zinc/37/94/21/214379421.db2.gz OJAMUQAZSHBFMD-GOSISDBHSA-N 0 3 313.445 3.392 20 30 DGEDHN CCc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)c(C)n1 ZINC000184548114 529611978 /nfs/dbraw/zinc/61/19/78/529611978.db2.gz FJFYSWMDNQQLHY-HNNXBMFYSA-N 0 3 318.380 3.329 20 30 DGEDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000415813226 529615418 /nfs/dbraw/zinc/61/54/18/529615418.db2.gz ZVCVMCHRANUQTR-GOSISDBHSA-N 0 3 322.412 3.251 20 30 DGEDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cccc(CC#N)c1 ZINC000415815930 529616420 /nfs/dbraw/zinc/61/64/20/529616420.db2.gz SPODJZAUVTZWPH-GOSISDBHSA-N 0 3 322.412 3.137 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000346542008 529663734 /nfs/dbraw/zinc/66/37/34/529663734.db2.gz NJYPMECYEMOTAR-DOMZBBRYSA-N 0 3 319.836 3.332 20 30 DGEDHN CN(CCCN(C)c1nc(Cl)c(C#N)s1)Cc1ccco1 ZINC000286594852 219072090 /nfs/dbraw/zinc/07/20/90/219072090.db2.gz SAECMOQFZFPUMD-UHFFFAOYSA-N 0 3 324.837 3.219 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@H]2CO)c1 ZINC000092455989 185319779 /nfs/dbraw/zinc/31/97/79/185319779.db2.gz MWHVAOQLJFZAEY-IBGZPJMESA-N 0 3 322.408 3.094 20 30 DGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@@H](CC)N(CC)CC)cc1 ZINC000345755017 529701670 /nfs/dbraw/zinc/70/16/70/529701670.db2.gz FEBDIQBCXUTTBE-IAGOWNOFSA-N 0 3 301.434 3.050 20 30 DGEDHN CN(C)c1cc(C([O-])=C(C#N)c2ccccn2)[nH+]c2ccccc21 ZINC000355100376 529772507 /nfs/dbraw/zinc/77/25/07/529772507.db2.gz PBLUJCIWTOIPJN-AWEZNQCLSA-N 0 3 316.364 3.186 20 30 DGEDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000181590045 199323706 /nfs/dbraw/zinc/32/37/06/199323706.db2.gz JWWVREVFQKVREB-WMLDXEAASA-N 0 3 305.381 3.014 20 30 DGEDHN CN(C)c1cccc(NCc2cccc(OCCCC#N)c2)n1 ZINC000180527031 529793112 /nfs/dbraw/zinc/79/31/12/529793112.db2.gz LGRINZQDGDNUOH-UHFFFAOYSA-N 0 3 310.401 3.442 20 30 DGEDHN CN(CCC#N)c1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000158327323 529869713 /nfs/dbraw/zinc/86/97/13/529869713.db2.gz HQJVSIWVGUBWLP-UHFFFAOYSA-N 0 3 323.440 3.031 20 30 DGEDHN CN(CCOc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433122661 529927004 /nfs/dbraw/zinc/92/70/04/529927004.db2.gz WQKPZQCMUMGRIB-SFHVURJKSA-N 0 3 322.408 3.296 20 30 DGEDHN CN(Cc1cccc(F)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000347982188 529994758 /nfs/dbraw/zinc/99/47/58/529994758.db2.gz DDFSNMICSITOFV-QGZVFWFLSA-N 0 3 321.355 3.038 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cncc3ccccc32)CC1 ZINC000106034959 432019549 /nfs/dbraw/zinc/01/95/49/432019549.db2.gz BSPUOYUIIKQQQP-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2(C)CCC(C)CC2)CC1 ZINC000106339258 432020115 /nfs/dbraw/zinc/02/01/15/432020115.db2.gz WCVMOUAZIHAQFD-UHFFFAOYSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(C(C)C)c2C)CC1 ZINC000106040287 432020607 /nfs/dbraw/zinc/02/06/07/432020607.db2.gz INEBINKQLUXCRA-UHFFFAOYSA-N 0 3 317.477 3.456 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179702245 186207446 /nfs/dbraw/zinc/20/74/46/186207446.db2.gz SOHFIJWMJLDBDB-OAHLLOKOSA-N 0 3 310.397 3.343 20 30 DGEDHN CC(=O)Nc1cccc(OCCN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181923967 186220054 /nfs/dbraw/zinc/22/00/54/186220054.db2.gz SLJUPNBZKBRRJR-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C[C@@H](NCCCN(C)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271953904 186416309 /nfs/dbraw/zinc/41/63/09/186416309.db2.gz RXICKJREVNWDER-LLVKDONJSA-N 0 3 317.330 3.232 20 30 DGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000130588710 432027604 /nfs/dbraw/zinc/02/76/04/432027604.db2.gz NSZAMABAJQCJOY-KRWDZBQOSA-N 0 3 310.401 3.114 20 30 DGEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000173196701 198194546 /nfs/dbraw/zinc/19/45/46/198194546.db2.gz IJPOORHEGUFRGK-MAUKXSAKSA-N 0 3 313.445 3.039 20 30 DGEDHN CC(C)[C@@H](CNCC1(C#N)CCC1)CNC(=O)OC(C)(C)C ZINC000496319823 535192021 /nfs/dbraw/zinc/19/20/21/535192021.db2.gz FBSMTBAQAZCQJW-AWEZNQCLSA-N 0 3 309.454 3.067 20 30 DGEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)o3)c(C)c2)CC1 ZINC000174285475 198314216 /nfs/dbraw/zinc/31/42/16/198314216.db2.gz INSJRRFIWFUXMH-UHFFFAOYSA-N 0 3 324.428 3.214 20 30 DGEDHN CCOc1cc(CCCNCc2ccc(C#N)o2)ccc1OC ZINC000174410383 198331700 /nfs/dbraw/zinc/33/17/00/198331700.db2.gz ZJCZRFNYPOUGRB-UHFFFAOYSA-N 0 3 314.385 3.281 20 30 DGEDHN Cc1ccccc1NC(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000174724706 198376507 /nfs/dbraw/zinc/37/65/07/198376507.db2.gz BXUJEMBNIVFKPP-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN COc1cccc(NC(=O)CCN(C)Cc2cccc(C#N)c2)c1 ZINC000174724600 198376699 /nfs/dbraw/zinc/37/66/99/198376699.db2.gz WHKOLEMRGUMAJM-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000277090488 213286662 /nfs/dbraw/zinc/28/66/62/213286662.db2.gz YXGBCCDGADEWFK-CABCVRRESA-N 0 3 323.234 3.368 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000067704341 432036697 /nfs/dbraw/zinc/03/66/97/432036697.db2.gz VOVMPZVRLYZLOA-KRWDZBQOSA-N 0 3 316.420 3.238 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC000294336896 283066096 /nfs/dbraw/zinc/06/60/96/283066096.db2.gz AKLHVAUJKVLCDU-WCQYABFASA-N 0 3 312.339 3.231 20 30 DGEDHN N#Cc1c(Cl)nsc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000269430568 283074115 /nfs/dbraw/zinc/07/41/15/283074115.db2.gz PHROTELLMGXDJA-ZWNOBZJWSA-N 0 3 322.865 3.121 20 30 DGEDHN N#Cc1sc(N2CCC[C@H]2CN2CCCCC2)nc1Cl ZINC000278744691 283259678 /nfs/dbraw/zinc/25/96/78/283259678.db2.gz RJDCCCRJHZGSQG-NSHDSACASA-N 0 3 310.854 3.123 20 30 DGEDHN CCN1CCC(Nc2cccc(Br)c2C#N)CC1 ZINC000169029682 432070879 /nfs/dbraw/zinc/07/08/79/432070879.db2.gz QMFRSFBSCRBUBK-UHFFFAOYSA-N 0 3 308.223 3.217 20 30 DGEDHN COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000180260065 199137996 /nfs/dbraw/zinc/13/79/96/199137996.db2.gz CBRXHNDBXIKBAN-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000180328745 432083979 /nfs/dbraw/zinc/08/39/79/432083979.db2.gz XVPGWQHNVQUIOA-QGZVFWFLSA-N 0 3 303.450 3.287 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3c(F)cccc3c2)nc(C)n1 ZINC000429673645 238057772 /nfs/dbraw/zinc/05/77/72/238057772.db2.gz AVGHMWIZXFMJLE-CQSZACIVSA-N 0 3 320.327 3.271 20 30 DGEDHN COc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433100838 238147004 /nfs/dbraw/zinc/14/70/04/238147004.db2.gz CJMHWPXHLOFGLT-INIZCTEOSA-N 0 3 308.381 3.084 20 30 DGEDHN N#Cc1cccc(OCCN2CCC(c3ccncc3)CC2)c1 ZINC000191666301 200740397 /nfs/dbraw/zinc/74/03/97/200740397.db2.gz FROOPKGYCAPTLM-UHFFFAOYSA-N 0 3 307.397 3.212 20 30 DGEDHN CCOC(=O)[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135095675 432098608 /nfs/dbraw/zinc/09/86/08/432098608.db2.gz NLJQLGSFVKJVAO-INIZCTEOSA-N 0 3 314.429 3.263 20 30 DGEDHN N#C[C@H]1CC[C@H](NCCNc2cccc(Br)c2)C1 ZINC000442880738 239145943 /nfs/dbraw/zinc/14/59/43/239145943.db2.gz XYZHJQRDLXKKKJ-FZMZJTMJSA-N 0 3 308.223 3.143 20 30 DGEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000180770896 432099459 /nfs/dbraw/zinc/09/94/59/432099459.db2.gz SFWCXYWOKBNGEW-SFHVURJKSA-N 0 3 323.396 3.246 20 30 DGEDHN COc1ccccc1O[C@@H](C)CNCc1ccc(C#N)c(C)c1 ZINC000444005271 239250677 /nfs/dbraw/zinc/25/06/77/239250677.db2.gz QCNCYJYOTFRXKH-HNNXBMFYSA-N 0 3 310.397 3.432 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449555460 240284355 /nfs/dbraw/zinc/28/43/55/240284355.db2.gz QHWFHOUWCKOQNF-JFIYKMOQSA-N 0 3 301.430 3.234 20 30 DGEDHN CCn1ccnc1[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000449564930 240294563 /nfs/dbraw/zinc/29/45/63/240294563.db2.gz FHGCPHYOLZIODV-OAHLLOKOSA-N 0 3 323.444 3.094 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000449698428 240376179 /nfs/dbraw/zinc/37/61/79/240376179.db2.gz NNDLKEXAAIGDSZ-LLVKDONJSA-N 0 3 305.752 3.358 20 30 DGEDHN CCN(CCC#N)C(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451193055 241041494 /nfs/dbraw/zinc/04/14/94/241041494.db2.gz XBGHVNBSPRNVDC-SOLBZPMBSA-N 0 3 313.445 3.015 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451507238 241151749 /nfs/dbraw/zinc/15/17/49/241151749.db2.gz VIRINNUBLKATIN-IRXDYDNUSA-N 0 3 302.418 3.249 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@]2(CCSC2)C1 ZINC000451972071 241287400 /nfs/dbraw/zinc/28/74/00/241287400.db2.gz MFUBCRDYMISKKQ-QGZVFWFLSA-N 0 3 302.443 3.286 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000268611424 432110115 /nfs/dbraw/zinc/11/01/15/432110115.db2.gz ZOAZUFNBUSFDTH-HZPDHXFCSA-N 0 3 305.418 3.168 20 30 DGEDHN Cc1cccc([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1C ZINC000271789432 209216880 /nfs/dbraw/zinc/21/68/80/209216880.db2.gz NFGBRJCPRAKREP-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN COc1ccc(CNC[C@@H]2CC[C@H](C)O2)cc1OCCCC#N ZINC000453630683 241845517 /nfs/dbraw/zinc/84/55/17/241845517.db2.gz MIYWVDLBAMRJSC-HOCLYGCPSA-N 0 3 318.417 3.035 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(OCC#N)cc2)C12CCC2 ZINC000268616043 432112130 /nfs/dbraw/zinc/11/21/30/432112130.db2.gz ACIJFXBBNPJYDB-MSOLQXFVSA-N 0 3 314.429 3.368 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](CC)c1nccn1C)C(C)C ZINC000271767049 209195646 /nfs/dbraw/zinc/19/56/46/209195646.db2.gz CHLRZYBBEHZPLZ-DLBZAZTESA-N 0 3 304.482 3.159 20 30 DGEDHN CCCCCCCOc1cccc(CNCCc2nnc[nH]2)c1 ZINC000268627454 432113191 /nfs/dbraw/zinc/11/31/91/432113191.db2.gz CXHZJHHJHYFUNS-UHFFFAOYSA-N 0 3 316.449 3.486 20 30 DGEDHN CCN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000268630203 432113781 /nfs/dbraw/zinc/11/37/81/432113781.db2.gz BOZLUGKHAVLIHY-IFXJQAMLSA-N 0 3 310.397 3.380 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCSC[C@@H]1C1CC1 ZINC000456163966 242365463 /nfs/dbraw/zinc/36/54/63/242365463.db2.gz BZLOOZMDJAMBEC-IAGOWNOFSA-N 0 3 314.454 3.113 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000455982051 242322355 /nfs/dbraw/zinc/32/23/55/242322355.db2.gz HKFKGHZVHAJWPP-GJZGRUSLSA-N 0 3 314.433 3.251 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CCC)C2CCCC2)CC1 ZINC000458336710 243036083 /nfs/dbraw/zinc/03/60/83/243036083.db2.gz PXOHTPOVMBYRET-QGZVFWFLSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(CC)CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000459081415 243246116 /nfs/dbraw/zinc/24/61/16/243246116.db2.gz QVSUKSNRYATCFF-UHFFFAOYSA-N 0 3 303.450 3.034 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@H]2SC)cc1 ZINC000459536787 243406999 /nfs/dbraw/zinc/40/69/99/243406999.db2.gz BXFXYPOTCHTCPG-BRWVUGGUSA-N 0 3 307.459 3.250 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000468309140 244033445 /nfs/dbraw/zinc/03/34/45/244033445.db2.gz LWLIQNPCHPRZDQ-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469423820 244103588 /nfs/dbraw/zinc/10/35/88/244103588.db2.gz FPVABRUYBZUTAH-SJLPKXTDSA-N 0 3 317.477 3.407 20 30 DGEDHN CC(C)CN(CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)C ZINC000474229665 244380731 /nfs/dbraw/zinc/38/07/31/244380731.db2.gz JCLSEOHMDOFMHE-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN CCN(CC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@@H]1C ZINC000120044937 284159352 /nfs/dbraw/zinc/15/93/52/284159352.db2.gz ZHEDGKXWKJBOQU-GXTWGEPZSA-N 0 3 305.447 3.459 20 30 DGEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCc2ccccc2C1 ZINC000093438683 193252320 /nfs/dbraw/zinc/25/23/20/193252320.db2.gz GPKMGYQILXYQRR-GOSISDBHSA-N 0 3 316.408 3.195 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CCCCC)CC1 ZINC000487674052 245090717 /nfs/dbraw/zinc/09/07/17/245090717.db2.gz JUASUYRHEXVCKJ-QGZVFWFLSA-N 0 3 307.482 3.391 20 30 DGEDHN C[C@@H]1C[C@H](Nc2ccc(Br)cc2C#N)CN1C1CC1 ZINC000123033985 284230980 /nfs/dbraw/zinc/23/09/80/284230980.db2.gz SJNKQPRGLUIUIH-MFKMUULPSA-N 0 3 320.234 3.358 20 30 DGEDHN Cc1cc(CN2CC[C@@]3(C2)OCc2ccccc23)ccc1C#N ZINC000488071498 245142662 /nfs/dbraw/zinc/14/26/62/245142662.db2.gz IIDRUBBLNBXFMW-FQEVSTJZSA-N 0 3 304.393 3.498 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@H]1C=C ZINC000489435812 245307378 /nfs/dbraw/zinc/30/73/78/245307378.db2.gz MSRDMUMRXVIGLB-QZTJIDSGSA-N 0 3 301.430 3.195 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000489401179 245303590 /nfs/dbraw/zinc/30/35/90/245303590.db2.gz ILCUQWWXRGEMBV-HUUCEWRRSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCC[C@H](O)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490079309 245380012 /nfs/dbraw/zinc/38/00/12/245380012.db2.gz YSWMHTKGMAWYBO-IRXDYDNUSA-N 0 3 318.461 3.361 20 30 DGEDHN CCN(CC)[C@H](CNc1snc(C)c1C#N)c1ccco1 ZINC000288241362 220038986 /nfs/dbraw/zinc/03/89/86/220038986.db2.gz DRDIMSJCPXHBGX-CYBMUJFWSA-N 0 3 304.419 3.411 20 30 DGEDHN COC(=O)c1cccc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000271676389 209119965 /nfs/dbraw/zinc/11/99/65/209119965.db2.gz OQDAOWQFDFPIKE-CQSZACIVSA-N 0 3 324.380 3.074 20 30 DGEDHN COCc1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000268773583 432130555 /nfs/dbraw/zinc/13/05/55/432130555.db2.gz FZHIDKILEVOHID-UHFFFAOYSA-N 0 3 316.426 3.321 20 30 DGEDHN N#Cc1ccc(NC[C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000267405735 206044640 /nfs/dbraw/zinc/04/46/40/206044640.db2.gz QOGGFMHOYFGGOL-CQSZACIVSA-N 0 3 312.442 3.339 20 30 DGEDHN C#CCCCCN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495687589 246297581 /nfs/dbraw/zinc/29/75/81/246297581.db2.gz KXUSAEAMLJGHGI-CQSZACIVSA-N 0 3 317.433 3.305 20 30 DGEDHN C[C@H](CCCNC(=O)OC(C)(C)C)NCc1cc(C#N)cs1 ZINC000496342291 246383785 /nfs/dbraw/zinc/38/37/85/246383785.db2.gz JCSPQJZJZYFCTP-GFCCVEGCSA-N 0 3 323.462 3.403 20 30 DGEDHN C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000496967550 246464785 /nfs/dbraw/zinc/46/47/85/246464785.db2.gz INPCZENNNWVXIB-LSDHHAIUSA-N 0 3 321.465 3.448 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000268801001 432136234 /nfs/dbraw/zinc/13/62/34/432136234.db2.gz AYUUGLQDVQYLND-VOBQZIQPSA-N 0 3 307.393 3.008 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2CCCN(c3ccccc3F)C2)c1 ZINC000136119364 432146393 /nfs/dbraw/zinc/14/63/93/432146393.db2.gz QQYSGDDTNBUWST-QGZVFWFLSA-N 0 3 309.388 3.456 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(C#N)c1 ZINC000181885253 432148298 /nfs/dbraw/zinc/14/82/98/432148298.db2.gz RMHFTHVFLKEFCW-CZUORRHYSA-N 0 3 310.376 3.022 20 30 DGEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000288584128 220260240 /nfs/dbraw/zinc/26/02/40/220260240.db2.gz CPDWNVUWKYADSC-SFHVURJKSA-N 0 3 322.408 3.265 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@](C)(O)c2cccs2)cc1 ZINC000268997053 207154442 /nfs/dbraw/zinc/15/44/42/207154442.db2.gz NVLVNZFBOHECTO-KSSFIOAISA-N 0 3 315.438 3.318 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000058648572 184126112 /nfs/dbraw/zinc/12/61/12/184126112.db2.gz YFXPZYXJRBJGJG-OAHLLOKOSA-N 0 3 304.394 3.100 20 30 DGEDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330918201 533009179 /nfs/dbraw/zinc/00/91/79/533009179.db2.gz WXIGZJPFZDHZAK-WDEREUQCSA-N 0 3 323.418 3.104 20 30 DGEDHN COc1ccc(C2CC(NCc3ccc(C#N)o3)C2)cc1F ZINC000337279431 253077018 /nfs/dbraw/zinc/07/70/18/253077018.db2.gz GPTVMROKCQXYQQ-UHFFFAOYSA-N 0 3 300.333 3.335 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(C3CC3)cc2)CC1 ZINC000493396317 533046775 /nfs/dbraw/zinc/04/67/75/533046775.db2.gz YNYQDKXWHCGJJB-IZZDOVSWSA-N 0 3 322.452 3.181 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2cccc(C#N)c2F)C1 ZINC000338186342 253238454 /nfs/dbraw/zinc/23/84/54/253238454.db2.gz AHAAQKHAXHAEKR-RNJTYBCJSA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC[C@H]1C ZINC000338296953 253260221 /nfs/dbraw/zinc/26/02/21/253260221.db2.gz UBAKKWQGPYDLBB-CHWSQXEVSA-N 0 3 302.378 3.141 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273007157 210385616 /nfs/dbraw/zinc/38/56/16/210385616.db2.gz RWSHJWFIOVDBGX-MRXNPFEDSA-N 0 3 319.493 3.415 20 30 DGEDHN C=CCOc1cccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272897399 210285529 /nfs/dbraw/zinc/28/55/29/210285529.db2.gz IJSWJUVGLHEGSU-CQSZACIVSA-N 0 3 315.417 3.023 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000357787191 533109542 /nfs/dbraw/zinc/10/95/42/533109542.db2.gz GKMKGLZRAATUOA-GWCFXTLKSA-N 0 3 307.191 3.272 20 30 DGEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000347107220 533112217 /nfs/dbraw/zinc/11/22/17/533112217.db2.gz MTAVDGLFOKVJOE-TVQRCGJNSA-N 0 3 313.184 3.053 20 30 DGEDHN COc1cc([C@@H](C)NCCOCCC#N)ccc1OC(C)C ZINC000339068827 533117138 /nfs/dbraw/zinc/11/71/38/533117138.db2.gz GWXHBBUFPWFGJG-CQSZACIVSA-N 0 3 306.406 3.063 20 30 DGEDHN CC[C@H](C)N[C@H](CNc1nnc(C)c(C)c1C#N)c1ccco1 ZINC000343268387 254122449 /nfs/dbraw/zinc/12/24/49/254122449.db2.gz WEGIRQMSBNSUDT-XHDPSFHLSA-N 0 3 313.405 3.099 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000343151552 254106773 /nfs/dbraw/zinc/10/67/73/254106773.db2.gz UFDXYHGOYPPXMN-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCCC[C@@H]1C ZINC000343176611 254110254 /nfs/dbraw/zinc/11/02/54/254110254.db2.gz CBZGMRJZDYVYIF-QWHCGFSZSA-N 0 3 318.396 3.082 20 30 DGEDHN Cc1cccc(C[C@H](CO)N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000343496469 254151751 /nfs/dbraw/zinc/15/17/51/254151751.db2.gz FZNUSZLPEBDDFI-WMLDXEAASA-N 0 3 312.388 3.260 20 30 DGEDHN N#Cc1cccc(CCN[C@H](c2ccccc2)c2cncnc2)c1 ZINC000343526818 254155855 /nfs/dbraw/zinc/15/58/55/254155855.db2.gz ZEOOTABPURGDTD-HXUWFJFHSA-N 0 3 314.392 3.270 20 30 DGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1nc2ccccc2n1C ZINC000343590997 254165070 /nfs/dbraw/zinc/16/50/70/254165070.db2.gz HNKPGQVYLIACHJ-CQSZACIVSA-N 0 3 304.397 3.338 20 30 DGEDHN C[C@H](NCCc1cccc(C#N)c1)c1nc2ccccc2n1C ZINC000343590982 254165076 /nfs/dbraw/zinc/16/50/76/254165076.db2.gz HNKPGQVYLIACHJ-AWEZNQCLSA-N 0 3 304.397 3.338 20 30 DGEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc2c(c1)CCC(=O)N2 ZINC000343615733 254167827 /nfs/dbraw/zinc/16/78/27/254167827.db2.gz KIINGSKWNSFLRY-NSHDSACASA-N 0 3 311.410 3.355 20 30 DGEDHN CCc1nnc(NCCN(C)Cc2ccccc2)c(C#N)c1CC ZINC000343927397 254203588 /nfs/dbraw/zinc/20/35/88/254203588.db2.gz SGIDTHGAKGLMEC-UHFFFAOYSA-N 0 3 323.444 3.017 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N1CCc2ccccc2C1 ZINC000343935019 254204121 /nfs/dbraw/zinc/20/41/21/254204121.db2.gz WLHFYKRWSYDCRE-HNNXBMFYSA-N 0 3 323.415 3.234 20 30 DGEDHN COCCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000344089541 254223502 /nfs/dbraw/zinc/22/35/02/254223502.db2.gz CZIQOBYAYTVOPL-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000344166357 254234583 /nfs/dbraw/zinc/23/45/83/254234583.db2.gz RYRPGTFHQRSPNI-OAHLLOKOSA-N 0 3 310.401 3.476 20 30 DGEDHN CC#CCCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156609994 197127615 /nfs/dbraw/zinc/12/76/15/197127615.db2.gz SLCLLPOQPIWYJM-OAHLLOKOSA-N 0 3 313.376 3.469 20 30 DGEDHN OCC[C@@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000279363217 285264382 /nfs/dbraw/zinc/26/43/82/285264382.db2.gz WMAZAQHGBCPINX-GOEBONIOSA-N 0 3 311.347 3.198 20 30 DGEDHN CCCO[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120912249 195262663 /nfs/dbraw/zinc/26/26/63/195262663.db2.gz KSZOYMIZASPSDI-QGZVFWFLSA-N 0 3 302.418 3.348 20 30 DGEDHN Cc1cc(NC2CCN(Cc3ccccc3)CC2)cc(C#N)n1 ZINC000308280008 285303960 /nfs/dbraw/zinc/30/39/60/285303960.db2.gz QJNZATCZGLQINI-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN COc1ccc2[nH]cc(C3CCN(C(=O)C(C)C#N)CC3)c2c1 ZINC000357812807 533234800 /nfs/dbraw/zinc/23/48/00/533234800.db2.gz UTHTVGYGNXBBMT-LBPRGKRZSA-N 0 3 311.385 3.042 20 30 DGEDHN COc1ccc2c(c1)CN(C(=O)C(C)C#N)[C@@H](c1ccccc1)C2 ZINC000346082237 533259997 /nfs/dbraw/zinc/25/99/97/533259997.db2.gz QHHDFDUCIGDNEC-IFXJQAMLSA-N 0 3 320.392 3.481 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccc(O)c1 ZINC000181511825 533372903 /nfs/dbraw/zinc/37/29/03/533372903.db2.gz JYJCZWSGNUTFDR-LLVKDONJSA-N 0 3 315.398 3.005 20 30 DGEDHN C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)c1ccc(C#N)cc1F ZINC000328753920 533518885 /nfs/dbraw/zinc/51/88/85/533518885.db2.gz NXEXHHGZLMILQW-IAQYHMDHSA-N 0 3 301.365 3.390 20 30 DGEDHN COc1ccc(CNCCC(F)(F)F)cc1OCCCC#N ZINC000344688956 533660012 /nfs/dbraw/zinc/66/00/12/533660012.db2.gz COLBGRSEXMDCRE-UHFFFAOYSA-N 0 3 316.323 3.420 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600523749 400087035 /nfs/dbraw/zinc/08/70/35/400087035.db2.gz VAMRJOZUWOGRHY-OTYXRUKQSA-N 0 3 301.777 3.475 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccccc2C#N)C1 ZINC000066473457 400093443 /nfs/dbraw/zinc/09/34/43/400093443.db2.gz VHZMNIXXJILXDE-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN Cc1csc(NC(=O)N2CCCN(C(C)(C)C)CC2)c1C#N ZINC000584728481 400095776 /nfs/dbraw/zinc/09/57/76/400095776.db2.gz NIMXJVXYPBEMPT-UHFFFAOYSA-N 0 3 320.462 3.266 20 30 DGEDHN Cc1cc(CN)cc(NC(=O)NCC2(C#N)CCCCC2)c1 ZINC000595235463 400112662 /nfs/dbraw/zinc/11/26/62/400112662.db2.gz GRHTWRFOFDDHLA-UHFFFAOYSA-N 0 3 300.406 3.049 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000066725959 400113127 /nfs/dbraw/zinc/11/31/27/400113127.db2.gz RAUNDTGUYUZFOV-MRXNPFEDSA-N 0 3 318.461 3.078 20 30 DGEDHN N#CC1(CC(=O)Nc2ccc3c(c2F)CCNC3)CCCCC1 ZINC000595254854 400114126 /nfs/dbraw/zinc/11/41/26/400114126.db2.gz ZUXUXQVQNJCQEE-UHFFFAOYSA-N 0 3 315.392 3.274 20 30 DGEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1F ZINC000595255455 400114641 /nfs/dbraw/zinc/11/46/41/400114641.db2.gz XUTZAYKMNMAQBO-HZPDHXFCSA-N 0 3 305.397 3.050 20 30 DGEDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000017305726 400178112 /nfs/dbraw/zinc/17/81/12/400178112.db2.gz QKRGKKVVZJPMQD-OAHLLOKOSA-N 0 3 317.396 3.332 20 30 DGEDHN CCN(CCN1C[C@H](C)O[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000595296064 400119975 /nfs/dbraw/zinc/11/99/75/400119975.db2.gz WYPYOPRSZYTZGF-YESZJQIVSA-N 0 3 315.461 3.050 20 30 DGEDHN CN(CCNc1c(C#N)cnc2ccc(Cl)cc21)C1CC1 ZINC000091459552 400121281 /nfs/dbraw/zinc/12/12/81/400121281.db2.gz GJRBRUZXJXXKIT-UHFFFAOYSA-N 0 3 300.793 3.266 20 30 DGEDHN CC(C)C[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000608821080 400125130 /nfs/dbraw/zinc/12/51/30/400125130.db2.gz MNPQQTWVUFKMEI-SFHVURJKSA-N 0 3 313.445 3.341 20 30 DGEDHN C[C@@H](c1cccs1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000314751487 400141641 /nfs/dbraw/zinc/14/16/41/400141641.db2.gz YEQNLHGWQGEFHB-DZGCQCFKSA-N 0 3 316.426 3.052 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000595424344 400145268 /nfs/dbraw/zinc/14/52/68/400145268.db2.gz HMWMOBJKDXXYTP-LJQANCHMSA-N 0 3 310.372 3.393 20 30 DGEDHN CC(C)OC(=O)C[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595444018 400152612 /nfs/dbraw/zinc/15/26/12/400152612.db2.gz VPOATEAPQYASSZ-GOSISDBHSA-N 0 3 314.429 3.154 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCC(C)C)CC1 ZINC000067209500 400152986 /nfs/dbraw/zinc/15/29/86/400152986.db2.gz QDMINTZQZUSAQY-UHFFFAOYSA-N 0 3 314.429 3.005 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1cccc(C#N)c1 ZINC000586790271 400157295 /nfs/dbraw/zinc/15/72/95/400157295.db2.gz IKSPBMXLPBBMBJ-CHWSQXEVSA-N 0 3 321.380 3.301 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1cccc(C#N)c1 ZINC000586790272 400157775 /nfs/dbraw/zinc/15/77/75/400157775.db2.gz IKSPBMXLPBBMBJ-OLZOCXBDSA-N 0 3 321.380 3.301 20 30 DGEDHN CCCC[C@H](CCC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000318870695 400158557 /nfs/dbraw/zinc/15/85/57/400158557.db2.gz LCTZQPTZZWOGNS-INIZCTEOSA-N 0 3 322.474 3.280 20 30 DGEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000319632913 400161300 /nfs/dbraw/zinc/16/13/00/400161300.db2.gz BBZQYMRBFRXRTI-VXGBXAGGSA-N 0 3 306.369 3.140 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1 ZINC000067368856 400164946 /nfs/dbraw/zinc/16/49/46/400164946.db2.gz JTQZIQORWPDSQF-HNNXBMFYSA-N 0 3 318.783 3.461 20 30 DGEDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)cc2)on1 ZINC000067965862 400219900 /nfs/dbraw/zinc/21/99/00/400219900.db2.gz RSAJDNFUXFPYNY-MRXNPFEDSA-N 0 3 324.384 3.020 20 30 DGEDHN CN1CCC(N(Cc2ccco2)C(=O)CCCCCC#N)CC1 ZINC000588751447 400226362 /nfs/dbraw/zinc/22/63/62/400226362.db2.gz GKNKEJSQMPIYBJ-UHFFFAOYSA-N 0 3 317.433 3.176 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N1CC[C@@H](N2CCCCC2)C1 ZINC000610277784 400231907 /nfs/dbraw/zinc/23/19/07/400231907.db2.gz OQSPHQSNZRLBTH-QGZVFWFLSA-N 0 3 320.440 3.480 20 30 DGEDHN N#CC1CCC(CNCc2ccncc2Br)CC1 ZINC000601119799 400239201 /nfs/dbraw/zinc/23/92/01/400239201.db2.gz WFRUPDDSGJENNZ-UHFFFAOYSA-N 0 3 308.223 3.264 20 30 DGEDHN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000595731610 400245137 /nfs/dbraw/zinc/24/51/37/400245137.db2.gz MNWGPAPJLJUAJQ-QRVBRYPASA-N 0 3 311.425 3.092 20 30 DGEDHN CN(Cc1ccc(-n2cccn2)cc1)Cc1cccc(C#N)c1 ZINC000026327975 400256752 /nfs/dbraw/zinc/25/67/52/400256752.db2.gz UDHOOMJWNJUJDK-UHFFFAOYSA-N 0 3 302.381 3.376 20 30 DGEDHN N#Cc1ccc(CNC[C@H](CO)c2ccc(Cl)cc2)s1 ZINC000588928723 400246535 /nfs/dbraw/zinc/24/65/35/400246535.db2.gz MKVJLFUQLNRMOR-GFCCVEGCSA-N 0 3 306.818 3.139 20 30 DGEDHN C[C@H](O)CCN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093481709 400248373 /nfs/dbraw/zinc/24/83/73/400248373.db2.gz HDRSEHGMSAUXMJ-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN COc1ccc(C2(CNC(=O)C(C)C#N)CCCCC2)cc1 ZINC000609921201 400202416 /nfs/dbraw/zinc/20/24/16/400202416.db2.gz XWISXRNHIFWQHN-CQSZACIVSA-N 0 3 300.402 3.173 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000595608916 400203419 /nfs/dbraw/zinc/20/34/19/400203419.db2.gz BSWIDDPIBCYMRG-LPHOPBHVSA-N 0 3 324.424 3.205 20 30 DGEDHN COC(=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595641231 400216701 /nfs/dbraw/zinc/21/67/01/400216701.db2.gz FYNPXZGLWLTTMF-UHFFFAOYSA-N 0 3 308.381 3.370 20 30 DGEDHN CCN(CCOC[C@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000610160963 400217508 /nfs/dbraw/zinc/21/75/08/400217508.db2.gz BGPASOAJXPGJBQ-CRAIPNDOSA-N 0 3 302.418 3.137 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000595791766 400262744 /nfs/dbraw/zinc/26/27/44/400262744.db2.gz WLFOHBYYNGIQST-SJLPKXTDSA-N 0 3 302.393 3.478 20 30 DGEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000589162602 400267960 /nfs/dbraw/zinc/26/79/60/400267960.db2.gz ORBKIIBQTMXFKU-SWHYSGLUSA-N 0 3 300.324 3.157 20 30 DGEDHN CCCCC[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000595872199 400284177 /nfs/dbraw/zinc/28/41/77/400284177.db2.gz RKIDVBVMJBELMD-AEFFLSMTSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000589341808 400290111 /nfs/dbraw/zinc/29/01/11/400290111.db2.gz WWINIIOHRRIORD-MEDUHNTESA-N 0 3 318.380 3.478 20 30 DGEDHN CN1Cc2ccccc2[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000589343773 400291157 /nfs/dbraw/zinc/29/11/57/400291157.db2.gz VSXBVMFCYFVBCR-VQTJNVASSA-N 0 3 303.409 3.322 20 30 DGEDHN CC(C)(C(=O)NCC1(C#N)CCCCC1)[C@H](N)c1ccccc1 ZINC000595943056 400296734 /nfs/dbraw/zinc/29/67/34/400296734.db2.gz HNXIKJSLTCLZSO-MRXNPFEDSA-N 0 3 313.445 3.303 20 30 DGEDHN CC(C)(C(=O)NCC1(C#N)CCCCC1)[C@@H](N)c1ccccc1 ZINC000595943055 400297292 /nfs/dbraw/zinc/29/72/92/400297292.db2.gz HNXIKJSLTCLZSO-INIZCTEOSA-N 0 3 313.445 3.303 20 30 DGEDHN N#Cc1c(NCCCNCc2cccnc2)cccc1C(F)F ZINC000596016959 400300261 /nfs/dbraw/zinc/30/02/61/400300261.db2.gz WTVWLFFLFOPYSL-UHFFFAOYSA-N 0 3 316.355 3.483 20 30 DGEDHN C[C@H](NC(=O)c1ccccc1CC#N)[C@@H](c1ccccc1)N(C)C ZINC000601456785 400303134 /nfs/dbraw/zinc/30/31/34/400303134.db2.gz XTHGUZPNTRFZJH-KXBFYZLASA-N 0 3 321.424 3.174 20 30 DGEDHN Cc1cc(NC[C@@H](c2ccccc2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596056260 400306658 /nfs/dbraw/zinc/30/66/58/400306658.db2.gz OPSHOSDBIZTWGI-KRWDZBQOSA-N 0 3 324.384 3.490 20 30 DGEDHN CCOc1ccc(Cl)cc1[C@H](C)NC1CCN(CC#N)CC1 ZINC000610813018 400310351 /nfs/dbraw/zinc/31/03/51/400310351.db2.gz VKZVDTFHBCFUJV-ZDUSSCGKSA-N 0 3 321.852 3.377 20 30 DGEDHN Cc1ccc(C#N)nc1NC[C@H](C)N1CCc2ccccc2C1 ZINC000596077772 400310903 /nfs/dbraw/zinc/31/09/03/400310903.db2.gz YJAWGULMTOOJPQ-HNNXBMFYSA-N 0 3 306.413 3.120 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000106038557 400325132 /nfs/dbraw/zinc/32/51/32/400325132.db2.gz CVRCBUPKCJKLSM-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN C[C@@H](CC(=O)N1CCCCCC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000610830254 400311977 /nfs/dbraw/zinc/31/19/77/400311977.db2.gz IYHCERPAHDODGR-HOTGVXAUSA-N 0 3 313.445 3.390 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000106037214 400325344 /nfs/dbraw/zinc/32/53/44/400325344.db2.gz IWUUNYIKOUYWSD-UHFFFAOYSA-N 0 3 316.489 3.215 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(CC#N)cc1 ZINC000601622727 400318885 /nfs/dbraw/zinc/31/88/85/400318885.db2.gz UEPAFQCAEQDWPM-UHFFFAOYSA-N 0 3 323.396 3.075 20 30 DGEDHN C[C@H](NCCn1ccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000601934083 400379019 /nfs/dbraw/zinc/37/90/19/400379019.db2.gz AAJBNZWZHINEMX-NSHDSACASA-N 0 3 308.307 3.124 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000069345658 400326759 /nfs/dbraw/zinc/32/67/59/400326759.db2.gz LLKNTWVMUSTQFX-HNNXBMFYSA-N 0 3 304.434 3.448 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC1CC1 ZINC000589774413 400328179 /nfs/dbraw/zinc/32/81/79/400328179.db2.gz ZHXUOFSPNMSRKZ-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(C)C)CC2)CC1 ZINC000114830099 400390545 /nfs/dbraw/zinc/39/05/45/400390545.db2.gz VOBFXJHJBGWEFM-QGZVFWFLSA-N 0 3 321.509 3.495 20 30 DGEDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611389504 400391191 /nfs/dbraw/zinc/39/11/91/400391191.db2.gz XWIMVSDDADBUBH-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC1(C(F)F)CCCC1 ZINC000589949175 400341926 /nfs/dbraw/zinc/34/19/26/400341926.db2.gz LLSWINFECMPNLZ-CQSZACIVSA-N 0 3 306.356 3.453 20 30 DGEDHN C=C(C)CCNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000580769364 400346969 /nfs/dbraw/zinc/34/69/69/400346969.db2.gz NCENJSRUZJKQPF-UHFFFAOYSA-N 0 3 309.475 3.314 20 30 DGEDHN CN(CCCN(C)c1nc(C#N)c(Cl)s1)Cc1ccco1 ZINC000596230602 400355515 /nfs/dbraw/zinc/35/55/15/400355515.db2.gz AAMMJSPNHANCOF-UHFFFAOYSA-N 0 3 324.837 3.219 20 30 DGEDHN Cn1cc(CCCN2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000611245228 400364277 /nfs/dbraw/zinc/36/42/77/400364277.db2.gz XZCMLRQCJHZYRP-UHFFFAOYSA-N 0 3 306.413 3.014 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(OCc3ccccc3F)CC2)C1 ZINC000590168654 400366401 /nfs/dbraw/zinc/36/64/01/400366401.db2.gz KWROTEBIQDGAPZ-GOEBONIOSA-N 0 3 302.393 3.499 20 30 DGEDHN C[C@@H]1COCCCN1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000611272355 400370969 /nfs/dbraw/zinc/37/09/69/400370969.db2.gz BBYMJNQPTPXUBX-MRXNPFEDSA-N 0 3 324.428 3.075 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000611274190 400371541 /nfs/dbraw/zinc/37/15/41/400371541.db2.gz JPCFRHOFCOONCH-QGZVFWFLSA-N 0 3 311.454 3.326 20 30 DGEDHN CCC[C@H](C)C(=O)NCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590256456 400372151 /nfs/dbraw/zinc/37/21/51/400372151.db2.gz QXCGLIBVYDDCIB-KBXCAEBGSA-N 0 3 313.445 3.078 20 30 DGEDHN CCC[C@@H](C)C(=O)NCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000590256461 400372485 /nfs/dbraw/zinc/37/24/85/400372485.db2.gz QXCGLIBVYDDCIB-KDOFPFPSSA-N 0 3 313.445 3.078 20 30 DGEDHN Cc1ccc(NC(=O)c2cccc(CC#N)c2)c(CN(C)C)c1 ZINC000072840704 400407917 /nfs/dbraw/zinc/40/79/17/400407917.db2.gz DBZUTQCVNNAXMO-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C[C@@H]1[C@H](O)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000590661401 400412051 /nfs/dbraw/zinc/41/20/51/400412051.db2.gz CDWMTYZLJHUTMO-FOIQADDNSA-N 0 3 322.408 3.092 20 30 DGEDHN C=CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000617615699 400426397 /nfs/dbraw/zinc/42/63/97/400426397.db2.gz XWTFHUQXALVBHH-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN N#CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000602251742 400430577 /nfs/dbraw/zinc/43/05/77/400430577.db2.gz MGGIHBIBLJFDRA-GOSISDBHSA-N 0 3 319.408 3.065 20 30 DGEDHN Cc1nccn1-c1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611669178 400435404 /nfs/dbraw/zinc/43/54/04/400435404.db2.gz GUKOUNJTIDACFL-AWEZNQCLSA-N 0 3 317.396 3.298 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(OCCOC(C)C)CC1 ZINC000590763535 400429455 /nfs/dbraw/zinc/42/94/55/400429455.db2.gz CUARVKIDTKONPT-UHFFFAOYSA-N 0 3 316.445 3.273 20 30 DGEDHN N#Cc1cc(NC[C@@H]2CCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596559393 400444946 /nfs/dbraw/zinc/44/49/46/400444946.db2.gz XXDIKIORXPYASF-KRWDZBQOSA-N 0 3 322.368 3.153 20 30 DGEDHN CCc1ccc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000120433285 400445213 /nfs/dbraw/zinc/44/52/13/400445213.db2.gz DYXKVSBRWXAVBB-CQSZACIVSA-N 0 3 307.397 3.410 20 30 DGEDHN CCOc1ccc(CN2CCN(C[C@H](C)CCC#N)CC2)cc1 ZINC000602429088 400459545 /nfs/dbraw/zinc/45/95/45/400459545.db2.gz DJYDJKRJUFHWDC-QGZVFWFLSA-N 0 3 315.461 3.143 20 30 DGEDHN CSC1c2cc(-c3noc([C@H](C)CC#N)n3)ccc2NC1=O ZINC000596585124 400450812 /nfs/dbraw/zinc/45/08/12/400450812.db2.gz ZISSBDKSFRJJKH-PELKAZGASA-N 0 3 314.370 3.110 20 30 DGEDHN CCN(CC(=O)Nc1c(F)cccc1F)C[C@H](C)CCC#N ZINC000602434398 400460484 /nfs/dbraw/zinc/46/04/84/400460484.db2.gz QQDBCLHVSRHEIF-GFCCVEGCSA-N 0 3 309.360 3.165 20 30 DGEDHN Cc1cc(NC(=O)CCCCCC#N)ccc1OCCN(C)C ZINC000590920466 400460612 /nfs/dbraw/zinc/46/06/12/400460612.db2.gz UINIXNVTHNFTKH-UHFFFAOYSA-N 0 3 317.433 3.348 20 30 DGEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602569986 400499734 /nfs/dbraw/zinc/49/97/34/400499734.db2.gz FQHLCWZHSOOJNK-HNNXBMFYSA-N 0 3 302.418 3.192 20 30 DGEDHN COc1cc(C)cc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602580192 400502956 /nfs/dbraw/zinc/50/29/56/400502956.db2.gz DYVZBCUNHRYANR-OAHLLOKOSA-N 0 3 302.418 3.192 20 30 DGEDHN COc1ccc2c(c1)CC[C@H](NCc1ccc(C#N)cc1F)C2 ZINC000612194055 400506253 /nfs/dbraw/zinc/50/62/53/400506253.db2.gz RMYMDIABKNABKG-KRWDZBQOSA-N 0 3 310.372 3.353 20 30 DGEDHN C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000591318584 400509272 /nfs/dbraw/zinc/50/92/72/400509272.db2.gz NEMZECNBKYJLMQ-KXBFYZLASA-N 0 3 321.424 3.428 20 30 DGEDHN C[C@H](CCC#N)CN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000602602840 400509635 /nfs/dbraw/zinc/50/96/35/400509635.db2.gz CJNBLBQJQFTINQ-OAHLLOKOSA-N 0 3 312.413 3.487 20 30 DGEDHN Cc1cccc(C(=O)N2CCCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000602438775 400462888 /nfs/dbraw/zinc/46/28/88/400462888.db2.gz BKKJBJJZIORBCO-KRWDZBQOSA-N 0 3 313.445 3.083 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@@H](C)C2CC2)c1 ZINC000073800213 400469842 /nfs/dbraw/zinc/46/98/42/400469842.db2.gz FBQIFQBWFKIOBJ-INIZCTEOSA-N 0 3 313.445 3.280 20 30 DGEDHN N#Cc1cc(CN2CCC3(CC2)OCCc2ccccc23)ccn1 ZINC000590962417 400470283 /nfs/dbraw/zinc/47/02/83/400470283.db2.gz CQTGCRZWEPOFQW-UHFFFAOYSA-N 0 3 319.408 3.017 20 30 DGEDHN CCN1CCN(Cc2ccc(NC[C@H](C)CCC#N)cc2)CC1 ZINC000602486021 400476989 /nfs/dbraw/zinc/47/69/89/400476989.db2.gz WSOGEZVPHDRQSD-QGZVFWFLSA-N 0 3 314.477 3.176 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OC(F)F)cc1 ZINC000602503041 400481506 /nfs/dbraw/zinc/48/15/06/400481506.db2.gz KJCGNILEUWONCP-CYBMUJFWSA-N 0 3 324.371 3.477 20 30 DGEDHN CCOc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602514038 400484430 /nfs/dbraw/zinc/48/44/30/400484430.db2.gz KNIHYFUVSWOVKL-OAHLLOKOSA-N 0 3 302.418 3.274 20 30 DGEDHN CO[C@@H](CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602518501 400486089 /nfs/dbraw/zinc/48/60/89/400486089.db2.gz OWIBKJQOSLECHV-WBVHZDCISA-N 0 3 302.418 3.063 20 30 DGEDHN CC(C)(C)c1csc(CCNCc2cccc(C#N)n2)n1 ZINC000602539685 400492123 /nfs/dbraw/zinc/49/21/23/400492123.db2.gz HMCXVPSBZXEFBW-UHFFFAOYSA-N 0 3 300.431 3.040 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617974335 400494511 /nfs/dbraw/zinc/49/45/11/400494511.db2.gz IUQWOXQFJKCORA-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN COC(=O)CCCN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602786883 400573274 /nfs/dbraw/zinc/57/32/74/400573274.db2.gz WYVRPAFDANSKQS-UHFFFAOYSA-N 0 3 300.402 3.136 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000597166707 400575150 /nfs/dbraw/zinc/57/51/50/400575150.db2.gz GHQXYZHZPMWEKO-UHFFFAOYSA-N 0 3 303.450 3.007 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2ncccc2c1 ZINC000602653389 400524525 /nfs/dbraw/zinc/52/45/25/400524525.db2.gz ZOZZRXKODSFCJA-HNNXBMFYSA-N 0 3 309.413 3.423 20 30 DGEDHN C[C@@H](CCC#N)CN(CCN(C)C)Cc1ccc(F)cc1F ZINC000602657868 400527628 /nfs/dbraw/zinc/52/76/28/400527628.db2.gz SUYBVPSCZSUPOQ-AWEZNQCLSA-N 0 3 309.404 3.268 20 30 DGEDHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C[C@@H](C)CCC#N ZINC000602659441 400528744 /nfs/dbraw/zinc/52/87/44/400528744.db2.gz QBPMRGCYZXGKOH-JKSUJKDBSA-N 0 3 301.434 3.078 20 30 DGEDHN Cc1nc(CN)ccc1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000591573316 400541312 /nfs/dbraw/zinc/54/13/12/400541312.db2.gz ITWYBUUSCAQDCW-LLVKDONJSA-N 0 3 314.820 3.225 20 30 DGEDHN CCC(CC)(CNCc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000602693851 400541862 /nfs/dbraw/zinc/54/18/62/400541862.db2.gz JHNOXNQOQPTTQJ-UHFFFAOYSA-N 0 3 317.433 3.191 20 30 DGEDHN CCOC(=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000602698785 400544013 /nfs/dbraw/zinc/54/40/13/400544013.db2.gz YUGMFKOTGLUAAJ-KRWDZBQOSA-N 0 3 323.396 3.230 20 30 DGEDHN COc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1C ZINC000602717036 400549688 /nfs/dbraw/zinc/54/96/88/400549688.db2.gz KNWZSGQWXDRPKA-CQSZACIVSA-N 0 3 302.418 3.192 20 30 DGEDHN COC[C@@H](NCc1ccc(C#N)cc1Br)C(C)C ZINC000612483485 400551655 /nfs/dbraw/zinc/55/16/55/400551655.db2.gz YUTXIGBFFQKOLM-CQSZACIVSA-N 0 3 311.223 3.081 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1O ZINC000597075082 400552555 /nfs/dbraw/zinc/55/25/55/400552555.db2.gz ULUQXFWHSFXHJQ-MSOLQXFVSA-N 0 3 312.457 3.471 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765713 400554761 /nfs/dbraw/zinc/55/47/61/400554761.db2.gz BTETZIUCKBHOAW-UGSOOPFHSA-N 0 3 314.816 3.466 20 30 DGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](O)Cc1ccccc1 ZINC000597134588 400567788 /nfs/dbraw/zinc/56/77/88/400567788.db2.gz IZSDCRGJYYRJDX-FQEVSTJZSA-N 0 3 320.436 3.277 20 30 DGEDHN CC(C)[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N1CCCCC1 ZINC000075275360 400569316 /nfs/dbraw/zinc/56/93/16/400569316.db2.gz DWBBDGRLNOCFQV-QAPCUYQASA-N 0 3 313.445 3.246 20 30 DGEDHN COc1cccc(CN(CCCC#N)C2CCC(O)CC2)c1 ZINC000075829434 400613875 /nfs/dbraw/zinc/61/38/75/400613875.db2.gz WVTNCRHEDVDYBB-UHFFFAOYSA-N 0 3 302.418 3.104 20 30 DGEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(C#N)c1 ZINC000612876319 400621635 /nfs/dbraw/zinc/62/16/35/400621635.db2.gz GQWHBQWUGYYIAO-DNVCBOLYSA-N 0 3 306.413 3.276 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000602997680 400624245 /nfs/dbraw/zinc/62/42/45/400624245.db2.gz OUVXTSVFRDXIAG-XIRDDKMYSA-N 0 3 304.821 3.337 20 30 DGEDHN CCCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCN(C)C1 ZINC000592238893 400627467 /nfs/dbraw/zinc/62/74/67/400627467.db2.gz VNICPIYJNRXQBS-CYBMUJFWSA-N 0 3 320.824 3.160 20 30 DGEDHN C=C(C)CN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047892096 400632666 /nfs/dbraw/zinc/63/26/66/400632666.db2.gz IWLLKLSTRPSLBW-UHFFFAOYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]2c2ccccc2)CC1 ZINC000592302534 400634014 /nfs/dbraw/zinc/63/40/14/400634014.db2.gz WEEHTJPIAHUPIS-SFHVURJKSA-N 0 3 313.445 3.184 20 30 DGEDHN N#Cc1cccc(C2(NCc3ccc(O)cc3)CCOCC2)c1 ZINC000597212591 400589651 /nfs/dbraw/zinc/58/96/51/400589651.db2.gz VYZGQRUUIKGQTQ-UHFFFAOYSA-N 0 3 308.381 3.059 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H](C)C1CC1)C(C)C ZINC000612728664 400592103 /nfs/dbraw/zinc/59/21/03/400592103.db2.gz HANFRUVKBJCFDB-WBVHZDCISA-N 0 3 307.482 3.125 20 30 DGEDHN N#CCc1ccc(CN[C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000602901226 400601762 /nfs/dbraw/zinc/60/17/62/400601762.db2.gz FZNLHGVHFXZYID-LJQANCHMSA-N 0 3 321.424 3.141 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncccc1F ZINC000597589964 400649708 /nfs/dbraw/zinc/64/97/08/400649708.db2.gz ZNJNTHWUKYHCDW-UKRRQHHQSA-N 0 3 311.360 3.170 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000145930645 400647538 /nfs/dbraw/zinc/64/75/38/400647538.db2.gz UNJUKQFSFBMCNN-FQEVSTJZSA-N 0 3 322.408 3.177 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(Cl)s1 ZINC000613183758 400669140 /nfs/dbraw/zinc/66/91/40/400669140.db2.gz KAUCAFWIXVQJMZ-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000613188779 400670066 /nfs/dbraw/zinc/67/00/66/400670066.db2.gz BRKUBFIIUPPUTG-YJBOKZPZSA-N 0 3 317.477 3.087 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000597860000 400680935 /nfs/dbraw/zinc/68/09/35/400680935.db2.gz JKNXZSXJVFFQOI-SJORKVTESA-N 0 3 313.445 3.063 20 30 DGEDHN C[C@@H](N[C@H](C)C1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157630076 400718741 /nfs/dbraw/zinc/71/87/41/400718741.db2.gz NAOOUUUNRCBTNE-GHMZBOCLSA-N 0 3 305.809 3.317 20 30 DGEDHN C[C@H](N[C@@H](C)C1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157629650 400718798 /nfs/dbraw/zinc/71/87/98/400718798.db2.gz NAOOUUUNRCBTNE-QWRGUYRKSA-N 0 3 305.809 3.317 20 30 DGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000157629776 400718962 /nfs/dbraw/zinc/71/89/62/400718962.db2.gz NAOOUUUNRCBTNE-MNOVXSKESA-N 0 3 305.809 3.317 20 30 DGEDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157963358 400721141 /nfs/dbraw/zinc/72/11/41/400721141.db2.gz UWVSARFNXFKREF-LLVKDONJSA-N 0 3 317.458 3.167 20 30 DGEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000603847461 400722938 /nfs/dbraw/zinc/72/29/38/400722938.db2.gz XPVNBQNFHYQREA-BRWVUGGUSA-N 0 3 317.477 3.230 20 30 DGEDHN N#Cc1ccccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000592998386 400729368 /nfs/dbraw/zinc/72/93/68/400729368.db2.gz TWQHSERZXLEXLM-NEPJUHHUSA-N 0 3 312.291 3.244 20 30 DGEDHN N#Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000592998036 400729967 /nfs/dbraw/zinc/72/99/67/400729967.db2.gz NTYFNAYRNPJLQW-QWHCGFSZSA-N 0 3 312.291 3.244 20 30 DGEDHN COc1ccc(N2CCCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000052465535 400733481 /nfs/dbraw/zinc/73/34/81/400733481.db2.gz NAJLZGMSGDHRHX-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2ccn3C)nc(C)n1 ZINC000077940920 400755443 /nfs/dbraw/zinc/75/54/43/400755443.db2.gz QJCCYSIAQATLQA-HNNXBMFYSA-N 0 3 304.353 3.075 20 30 DGEDHN CC(C)N(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccn1 ZINC000165446534 400752527 /nfs/dbraw/zinc/75/25/27/400752527.db2.gz VPTWGZJNSDXWQG-UHFFFAOYSA-N 0 3 322.412 3.192 20 30 DGEDHN CN(C)Cc1cccc(C(=O)NC(C)(C)c2cccc(C#N)c2)c1 ZINC000597949219 400702366 /nfs/dbraw/zinc/70/23/66/400702366.db2.gz GGBLLTBNAWDONC-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000592879416 400712762 /nfs/dbraw/zinc/71/27/62/400712762.db2.gz LVKAJMXWZCOZHA-JMCQJSRRSA-N 0 3 313.254 3.186 20 30 DGEDHN N#Cc1ccc(NC(=O)CCNC2(c3ccccc3)CC2)cc1 ZINC000077378617 400713203 /nfs/dbraw/zinc/71/32/03/400713203.db2.gz JCJGWJPDNJMASK-UHFFFAOYSA-N 0 3 305.381 3.166 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2cccc(C)c2)CCCC1 ZINC000171088501 400785438 /nfs/dbraw/zinc/78/54/38/400785438.db2.gz CQOMLICRFLJDHW-MRXNPFEDSA-N 0 3 300.446 3.087 20 30 DGEDHN C=C(C)CN1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1 ZINC000605570334 400876046 /nfs/dbraw/zinc/87/60/46/400876046.db2.gz GOORSWRYJKKUBA-UHFFFAOYSA-N 0 3 318.371 3.360 20 30 DGEDHN C=CCNC(=O)CN[C@H](CCC(C)C)c1ccc(OC)cc1 ZINC000180027717 400881508 /nfs/dbraw/zinc/88/15/08/400881508.db2.gz XZJNLUZTPGKKJW-QGZVFWFLSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000180019339 400882000 /nfs/dbraw/zinc/88/20/00/400882000.db2.gz JSLJBANTBRYGGG-GVAFMPQTSA-N 0 3 306.837 3.317 20 30 DGEDHN COc1cc(F)c(CNCC2CCC(C#N)CC2)cc1OC ZINC000593625914 400883545 /nfs/dbraw/zinc/88/35/45/400883545.db2.gz HQWYTOZOUGCANN-UHFFFAOYSA-N 0 3 306.381 3.262 20 30 DGEDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598589696 400836852 /nfs/dbraw/zinc/83/68/52/400836852.db2.gz KONPCVHSZHOUSY-ZBFHGGJFSA-N 0 3 302.418 3.133 20 30 DGEDHN COc1c(C)cc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1C ZINC000598590064 400838561 /nfs/dbraw/zinc/83/85/61/400838561.db2.gz OHEUYQKFMBDRDY-INIZCTEOSA-N 0 3 304.434 3.045 20 30 DGEDHN Cc1csc(C2(NC[C@H](O)CC(C)(C)C#N)CCCC2)n1 ZINC000598597774 400840163 /nfs/dbraw/zinc/84/01/63/400840163.db2.gz HVPDBFBOXZSRPT-CYBMUJFWSA-N 0 3 307.463 3.111 20 30 DGEDHN CCOc1ccccc1[C@H](CC)NC[C@@H](O)CC(C)(C)C#N ZINC000598602411 400841894 /nfs/dbraw/zinc/84/18/94/400841894.db2.gz NRCOXZWPZGIQMG-HOCLYGCPSA-N 0 3 304.434 3.427 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000598612209 400842980 /nfs/dbraw/zinc/84/29/80/400842980.db2.gz SQTCYQDNVSEKDI-SJLPKXTDSA-N 0 3 304.409 3.090 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000598614711 400843759 /nfs/dbraw/zinc/84/37/59/400843759.db2.gz RVRMUOKSYXHIRT-MRXNPFEDSA-N 0 3 304.409 3.248 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000598618051 400844395 /nfs/dbraw/zinc/84/43/95/400844395.db2.gz UALHTEPITQJKAH-RYUDHWBXSA-N 0 3 306.372 3.198 20 30 DGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)cc1F ZINC000598626340 400846643 /nfs/dbraw/zinc/84/66/43/400846643.db2.gz AKUNMVGFAUYYQU-GDBMZVCRSA-N 0 3 320.408 3.272 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000079224290 400852756 /nfs/dbraw/zinc/85/27/56/400852756.db2.gz AGHBXWGFVFSSFL-OAHLLOKOSA-N 0 3 321.490 3.493 20 30 DGEDHN CC(C)COc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598699175 400859909 /nfs/dbraw/zinc/85/99/09/400859909.db2.gz CEJVVHFQWPAMFI-MRXNPFEDSA-N 0 3 304.434 3.112 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCSc2c(F)cccc21 ZINC000598699218 400860240 /nfs/dbraw/zinc/86/02/40/400860240.db2.gz CXKIWXAXYNIFOQ-FZMZJTMJSA-N 0 3 308.422 3.253 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C(F)(F)F)cc1 ZINC000598699699 400861102 /nfs/dbraw/zinc/86/11/02/400861102.db2.gz HVPKKKJHQWXLLR-ZDUSSCGKSA-N 0 3 300.324 3.096 20 30 DGEDHN CC(C)COc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598720486 400865102 /nfs/dbraw/zinc/86/51/02/400865102.db2.gz NSMBWCNIRVHJMQ-INIZCTEOSA-N 0 3 304.434 3.112 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC(C)C)c1ccccc1 ZINC000181794462 400889908 /nfs/dbraw/zinc/88/99/08/400889908.db2.gz GEZUPIFBDFXCKC-AEFFLSMTSA-N 0 3 315.461 3.372 20 30 DGEDHN Cc1cc([C@@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)no1 ZINC000593721074 400898918 /nfs/dbraw/zinc/89/89/18/400898918.db2.gz JTAGHYDJLZWAAK-OAHLLOKOSA-N 0 3 324.428 3.170 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000619758566 400900559 /nfs/dbraw/zinc/90/05/59/400900559.db2.gz ZXDTUMQERMICQJ-WBMJQRKESA-N 0 3 309.394 3.179 20 30 DGEDHN C=C(C)COCCNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183569467 400901051 /nfs/dbraw/zinc/90/10/51/400901051.db2.gz FWDSQAMZJXRBQY-UHFFFAOYSA-N 0 3 321.314 3.449 20 30 DGEDHN C[C@H](c1cccnc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000079877722 400903339 /nfs/dbraw/zinc/90/33/39/400903339.db2.gz KSNVPQPYMJWYQF-QGZVFWFLSA-N 0 3 320.440 3.222 20 30 DGEDHN C=CCC[C@@H](C)NCC(=O)Nc1ccc(Br)cc1 ZINC000185179966 400904536 /nfs/dbraw/zinc/90/45/36/400904536.db2.gz AOKZMYDRQJOCCT-LLVKDONJSA-N 0 3 311.223 3.332 20 30 DGEDHN CC(C)O[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000593788242 400910882 /nfs/dbraw/zinc/91/08/82/400910882.db2.gz ZCWHEGBXBPVEFA-ROUUACIJSA-N 0 3 314.429 3.175 20 30 DGEDHN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000598982875 400920736 /nfs/dbraw/zinc/92/07/36/400920736.db2.gz RSNLVABKPINWKX-NWDGAFQWSA-N 0 3 306.431 3.485 20 30 DGEDHN N#CC1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCCC1 ZINC000593904891 400920895 /nfs/dbraw/zinc/92/08/95/400920895.db2.gz GKQVLAZNFWNSAA-UHFFFAOYSA-N 0 3 311.307 3.187 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)C1CCN(C2CC2)CC1 ZINC000195310263 400924304 /nfs/dbraw/zinc/92/43/04/400924304.db2.gz NTDHNESPXVPHEA-UHFFFAOYSA-N 0 3 304.459 3.137 20 30 DGEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000080231083 400933346 /nfs/dbraw/zinc/93/33/46/400933346.db2.gz NYZMIICNRJOPDH-CRAIPNDOSA-N 0 3 306.413 3.418 20 30 DGEDHN Cc1csc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594103691 400987887 /nfs/dbraw/zinc/98/78/87/400987887.db2.gz GUFZSCYRKFMNES-KGLIPLIRSA-N 0 3 318.446 3.067 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCN(C2CCC2)C1=O ZINC000599093748 400959073 /nfs/dbraw/zinc/95/90/73/400959073.db2.gz RCTHAKVWMGYZKZ-RTBURBONSA-N 0 3 323.440 3.069 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCc1ccc(C#N)c(F)c1)C(C)C ZINC000594042404 400960246 /nfs/dbraw/zinc/96/02/46/400960246.db2.gz DIDDVAVAHCJNMZ-INIZCTEOSA-N 0 3 306.381 3.153 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000594067378 400973483 /nfs/dbraw/zinc/97/34/83/400973483.db2.gz BQJFIGHLAQEJBB-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594085304 400979673 /nfs/dbraw/zinc/97/96/73/400979673.db2.gz UYANNLWBHGNHSH-SJORKVTESA-N 0 3 312.417 3.005 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2ccncc2)C1 ZINC000594359546 401051385 /nfs/dbraw/zinc/05/13/85/401051385.db2.gz IPMREVWBDTVSBH-OALUTQOASA-N 0 3 319.408 3.170 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2ccncc2)C1 ZINC000594359547 401051798 /nfs/dbraw/zinc/05/17/98/401051798.db2.gz IPMREVWBDTVSBH-RBUKOAKNSA-N 0 3 319.408 3.170 20 30 DGEDHN N#CC1(C[C@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000599452591 401055666 /nfs/dbraw/zinc/05/56/66/401055666.db2.gz UCGCOPCXNBYOCZ-ZWKOTPCHSA-N 0 3 308.425 3.434 20 30 DGEDHN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594433245 401068374 /nfs/dbraw/zinc/06/83/74/401068374.db2.gz MTFPADCNJQUZJB-MSOLQXFVSA-N 0 3 315.461 3.186 20 30 DGEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594432839 401068560 /nfs/dbraw/zinc/06/85/60/401068560.db2.gz CARFJDCSJXILQX-MNOVXSKESA-N 0 3 313.854 3.380 20 30 DGEDHN CCN(CCC#N)C(=O)CN(Cc1ccc(C)cc1)C(C)(C)C ZINC000599527632 401068842 /nfs/dbraw/zinc/06/88/42/401068842.db2.gz ONVDYWVXCCHRAC-UHFFFAOYSA-N 0 3 315.461 3.358 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000594440998 401070339 /nfs/dbraw/zinc/07/03/39/401070339.db2.gz KNMRORICMXSAES-CYBMUJFWSA-N 0 3 316.792 3.238 20 30 DGEDHN Cc1ccc(CN2CCC[C@@H](c3nncn3C(C)C)C2)cc1C#N ZINC000599330517 401023626 /nfs/dbraw/zinc/02/36/26/401023626.db2.gz BSGRXBFGXIBBCC-QGZVFWFLSA-N 0 3 323.444 3.419 20 30 DGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC000599345043 401027824 /nfs/dbraw/zinc/02/78/24/401027824.db2.gz KWVDXMYIWXYBNV-CZUORRHYSA-N 0 3 322.836 3.062 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000633625858 401030550 /nfs/dbraw/zinc/03/05/50/401030550.db2.gz KDCXMGXVGUHWGC-GOSISDBHSA-N 0 3 312.457 3.118 20 30 DGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)C1CC1 ZINC000599353236 401031650 /nfs/dbraw/zinc/03/16/50/401031650.db2.gz GVPORWLXFTUJJK-QUCCMNQESA-N 0 3 322.408 3.039 20 30 DGEDHN Cc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1C#N ZINC000599354524 401032224 /nfs/dbraw/zinc/03/22/24/401032224.db2.gz PVKAWJILKXTJFC-PEBXRYMYSA-N 0 3 312.438 3.455 20 30 DGEDHN CC(C)C[C@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247018289 401043680 /nfs/dbraw/zinc/04/36/80/401043680.db2.gz OINPOHOYHNSHIE-SJLPKXTDSA-N 0 3 305.466 3.086 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1cc(C)ccc1C ZINC000599645527 401101425 /nfs/dbraw/zinc/10/14/25/401101425.db2.gz PHENIUYWUBMQAM-NVXWUHKLSA-N 0 3 313.445 3.295 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)Cc1ccc(C#N)cn1 ZINC000599660254 401106662 /nfs/dbraw/zinc/10/66/62/401106662.db2.gz KZKYQPUMBVTSAG-UHFFFAOYSA-N 0 3 308.429 3.037 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CCCC4(CC4)CC3)o2)cc1 ZINC000599672932 401107878 /nfs/dbraw/zinc/10/78/78/401107878.db2.gz KJRORVLXPBIRKM-UHFFFAOYSA-N 0 3 308.385 3.374 20 30 DGEDHN COC(=O)[C@@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc21 ZINC000599668294 401108231 /nfs/dbraw/zinc/10/82/31/401108231.db2.gz WICZLRPWNQSIGV-QGZVFWFLSA-N 0 3 314.429 3.479 20 30 DGEDHN Cc1nccn1CCCCN1CCc2c(CC#N)cccc2C1 ZINC000599677858 401109965 /nfs/dbraw/zinc/10/99/65/401109965.db2.gz PUBOJCQYLRZFAE-UHFFFAOYSA-N 0 3 308.429 3.096 20 30 DGEDHN N#CCCCCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000060366477 401109983 /nfs/dbraw/zinc/10/99/83/401109983.db2.gz RJRPTYZIDMQDLD-QGZVFWFLSA-N 0 3 314.433 3.356 20 30 DGEDHN COc1ccc([C@H]2CCN(CCCSCC#N)C2)cc1F ZINC000599679234 401112666 /nfs/dbraw/zinc/11/26/66/401112666.db2.gz LLYYDPKCPQCESK-AWEZNQCLSA-N 0 3 308.422 3.270 20 30 DGEDHN COC(=O)C1C[C@H](C)N(Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599690847 401117936 /nfs/dbraw/zinc/11/79/36/401117936.db2.gz NAJQPAMMDYZVQO-KBPBESRZSA-N 0 3 300.402 3.029 20 30 DGEDHN C=CCCCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000084259997 401135560 /nfs/dbraw/zinc/13/55/60/401135560.db2.gz YAWOGTOSDDNQPS-UHFFFAOYSA-N 0 3 300.446 3.466 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000599770070 401136838 /nfs/dbraw/zinc/13/68/38/401136838.db2.gz FIKKAUZDUQKNAW-HOCLYGCPSA-N 0 3 301.434 3.124 20 30 DGEDHN CC(C)(C)[C@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594657021 401142217 /nfs/dbraw/zinc/14/22/17/401142217.db2.gz LVAMBRBIIGLALU-CYBMUJFWSA-N 0 3 323.322 3.204 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccccc3NC1=O)CC2 ZINC000594510803 401087788 /nfs/dbraw/zinc/08/77/88/401087788.db2.gz LASOTZMYLGOPSX-OALUTQOASA-N 0 3 317.392 3.089 20 30 DGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(C#N)cc1F ZINC000594519359 401097152 /nfs/dbraw/zinc/09/71/52/401097152.db2.gz JZPJYWWYAVNPJP-VHSSKADRSA-N 0 3 301.409 3.365 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC000625322644 401097888 /nfs/dbraw/zinc/09/78/88/401097888.db2.gz KGVPJTBPPVXKRE-RBUKOAKNSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000625322932 401097989 /nfs/dbraw/zinc/09/79/89/401097989.db2.gz NRFVYEZPBPVPNL-QZTJIDSGSA-N 0 3 312.457 3.337 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Cc3nc(C4CCC4)no3)CC2)C1 ZINC000599640604 401099663 /nfs/dbraw/zinc/09/96/63/401099663.db2.gz AJEYMTLSTWEJQH-GDBMZVCRSA-N 0 3 314.433 3.284 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640190 401100368 /nfs/dbraw/zinc/10/03/68/401100368.db2.gz GNQADFIGTDIAPK-IEBWSBKVSA-N 0 3 315.461 3.399 20 30 DGEDHN COc1cc2c(cc1OC)[C@H](NCc1cccc(C#N)c1)CC2 ZINC000280119849 401151254 /nfs/dbraw/zinc/15/12/54/401151254.db2.gz OHBHHISWFAEILU-QGZVFWFLSA-N 0 3 308.381 3.353 20 30 DGEDHN CC(C)N(CCC(=O)Nc1ccccc1C#N)Cc1ccccn1 ZINC000063524218 401198854 /nfs/dbraw/zinc/19/88/54/401198854.db2.gz VOVGSLGWCMNVAF-UHFFFAOYSA-N 0 3 322.412 3.192 20 30 DGEDHN C=CCCSCCNCc1ccnn1-c1ccccc1OC ZINC000594960059 401208109 /nfs/dbraw/zinc/20/81/09/401208109.db2.gz IUNYSRGJNDZIER-UHFFFAOYSA-N 0 3 317.458 3.280 20 30 DGEDHN CCC[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OCC ZINC000600174783 401208157 /nfs/dbraw/zinc/20/81/57/401208157.db2.gz OAEZRJWKUBTAEE-IRXDYDNUSA-N 0 3 302.418 3.080 20 30 DGEDHN C=CCN(CCC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 ZINC000065612243 401273572 /nfs/dbraw/zinc/27/35/72/401273572.db2.gz XFMVVNPUJOATJO-UHFFFAOYSA-N 0 3 305.418 3.415 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000065674985 401274971 /nfs/dbraw/zinc/27/49/71/401274971.db2.gz OJAQOBYDEFICHE-JKSUJKDBSA-N 0 3 316.445 3.102 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccncc1 ZINC000600391241 401244716 /nfs/dbraw/zinc/24/47/16/401244716.db2.gz QOZVEEOVERHZMC-CRAIPNDOSA-N 0 3 307.397 3.074 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC[C@H](O)C(C)C)cc1OC ZINC000623421613 401513314 /nfs/dbraw/zinc/51/33/14/401513314.db2.gz SINDBTXKHWHQAA-AWEZNQCLSA-N 0 3 313.825 3.020 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(CC)CCOC)cc1OC ZINC000628130243 401529668 /nfs/dbraw/zinc/52/96/68/401529668.db2.gz PSIIPCUTBKKIEJ-UHFFFAOYSA-N 0 3 313.825 3.382 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(Br)c(F)c1F ZINC000623542096 401543098 /nfs/dbraw/zinc/54/30/98/401543098.db2.gz NPFFPTCYUKFITF-JTQLQIEISA-N 0 3 320.177 3.144 20 30 DGEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000637139918 401616198 /nfs/dbraw/zinc/61/61/98/401616198.db2.gz QHWAJYZIMPOUNF-ARFHVFGLSA-N 0 3 319.449 3.316 20 30 DGEDHN CN(C)CCN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000176418824 164781745 /nfs/dbraw/zinc/78/17/45/164781745.db2.gz QWKYOOJHPCEXMK-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000178550055 164841668 /nfs/dbraw/zinc/84/16/68/164841668.db2.gz MZTYOBLFVAUWDO-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185554211 165007776 /nfs/dbraw/zinc/00/77/76/165007776.db2.gz FDODRMPWODDVNB-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@H]1COc2ccccc21 ZINC000185554230 165008241 /nfs/dbraw/zinc/00/82/41/165008241.db2.gz FDODRMPWODDVNB-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000185940047 165022155 /nfs/dbraw/zinc/02/21/55/165022155.db2.gz CGUNGXWCEQHJSA-KDOFPFPSSA-N 0 3 322.412 3.371 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)s1 ZINC000187994442 165109723 /nfs/dbraw/zinc/10/97/23/165109723.db2.gz VXLSGECVSZNUNA-HNNXBMFYSA-N 0 3 300.427 3.309 20 30 DGEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1F ZINC000192134594 165283559 /nfs/dbraw/zinc/28/35/59/165283559.db2.gz BAHHKSBTCMESFK-HZPDHXFCSA-N 0 3 320.433 3.184 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1F ZINC000192121966 165283641 /nfs/dbraw/zinc/28/36/41/165283641.db2.gz YCMLQHGKHAXYCD-VQIMIIECSA-N 0 3 313.420 3.146 20 30 DGEDHN C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000182133116 432159637 /nfs/dbraw/zinc/15/96/37/432159637.db2.gz POSAUGULIMSEMR-YOEHRIQHSA-N 0 3 300.402 3.285 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2cccc3ccccc32)CC1 ZINC000171728153 432164754 /nfs/dbraw/zinc/16/47/54/432164754.db2.gz YVZUHXSPCYHHJI-UHFFFAOYSA-N 0 3 323.440 3.289 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccccc2C)CC1 ZINC000171717273 432164772 /nfs/dbraw/zinc/16/47/72/432164772.db2.gz NRCBVDOJRMLEEH-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C/Sc2ccccc2)CC1 ZINC000171729922 432165817 /nfs/dbraw/zinc/16/58/17/432165817.db2.gz LUHNSEGEVDXFOR-JLHYYAGUSA-N 0 3 316.470 3.449 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3ncsc3c2)CC1 ZINC000171730187 432167356 /nfs/dbraw/zinc/16/73/56/432167356.db2.gz GECRMPMDMKPKTA-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CN(CCCNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000269439120 432173313 /nfs/dbraw/zinc/17/33/13/432173313.db2.gz RZKPUFGTEUFWSM-UHFFFAOYSA-N 0 3 321.396 3.044 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCO1 ZINC000182388236 432185835 /nfs/dbraw/zinc/18/58/35/432185835.db2.gz ZSCQTPNXMNOSRC-HUUCEWRRSA-N 0 3 323.234 3.368 20 30 DGEDHN Cn1cc(CNCc2cccc(OCC(F)(F)F)c2)cc1C#N ZINC000190770446 432188632 /nfs/dbraw/zinc/18/86/32/432188632.db2.gz DCBZWTCEAYHWSF-UHFFFAOYSA-N 0 3 323.318 3.128 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000150745897 432189040 /nfs/dbraw/zinc/18/90/40/432189040.db2.gz GJEPNIWSBMFQSJ-NUJGCVRESA-N 0 3 319.493 3.390 20 30 DGEDHN C=C(C)CN1CCC(NCc2nccn2-c2ccccc2)CC1 ZINC000190977821 432207754 /nfs/dbraw/zinc/20/77/54/432207754.db2.gz MNUIOMUMVGXOIG-UHFFFAOYSA-N 0 3 310.445 3.002 20 30 DGEDHN C[C@H](NCCOc1ccc(Cl)cn1)c1ccc(C#N)cc1 ZINC000151048210 432214082 /nfs/dbraw/zinc/21/40/82/432214082.db2.gz TXNQUPCTMTUUJJ-LBPRGKRZSA-N 0 3 301.777 3.336 20 30 DGEDHN CC(C)(C)C[C@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000172269156 432205366 /nfs/dbraw/zinc/20/53/66/432205366.db2.gz KTAHSFOBVDEQHS-INIZCTEOSA-N 0 3 304.434 3.256 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000182698031 432219012 /nfs/dbraw/zinc/21/90/12/432219012.db2.gz XMXNUKYVYQGRIO-QZTJIDSGSA-N 0 3 314.335 3.456 20 30 DGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333176494 287344722 /nfs/dbraw/zinc/34/47/22/287344722.db2.gz LNZRPSVWQJGJJR-BEFAXECRSA-N 0 3 317.477 3.087 20 30 DGEDHN Cc1cccc([C@H](O)CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000128082348 227006562 /nfs/dbraw/zinc/00/65/62/227006562.db2.gz KGWAEVQOIISKPC-IOJLRTSASA-N 0 3 306.409 3.242 20 30 DGEDHN C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)N1CCCCCC1 ZINC000153422487 227087247 /nfs/dbraw/zinc/08/72/47/227087247.db2.gz BRASTXFJDAQGOW-SJLPKXTDSA-N 0 3 313.445 3.412 20 30 DGEDHN C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000297479227 227222971 /nfs/dbraw/zinc/22/29/71/227222971.db2.gz ZBYOJPWSCGNGDC-YVEFUNNKSA-N 0 3 316.351 3.091 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172068868 228274117 /nfs/dbraw/zinc/27/41/17/228274117.db2.gz IMYWKJFBQPPSKR-UXHICEINSA-N 0 3 322.408 3.117 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172068855 228274150 /nfs/dbraw/zinc/27/41/50/228274150.db2.gz IMYWKJFBQPPSKR-VQTJNVASSA-N 0 3 322.408 3.117 20 30 DGEDHN C[C@H](NC[C@](C)(O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000181788548 228364146 /nfs/dbraw/zinc/36/41/46/228364146.db2.gz JRRAXRXZWRNFGF-GUYCJALGSA-N 0 3 316.426 3.209 20 30 DGEDHN N#CCCCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182834485 228369937 /nfs/dbraw/zinc/36/99/37/228369937.db2.gz AWPQCHAGYFXXPB-GFCCVEGCSA-N 0 3 300.328 3.233 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000185837832 228398812 /nfs/dbraw/zinc/39/88/12/228398812.db2.gz HSHVCINCJWNZTN-DUVNUKRYSA-N 0 3 317.820 3.117 20 30 DGEDHN COCCOc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185863419 228399400 /nfs/dbraw/zinc/39/94/00/228399400.db2.gz MKORPVUFFCOFCI-NVXWUHKLSA-N 0 3 302.418 3.192 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000343535229 229126184 /nfs/dbraw/zinc/12/61/84/229126184.db2.gz OSYQFFGIKNOZLJ-DGCLKSJQSA-N 0 3 313.323 3.195 20 30 DGEDHN N#CCCn1cc(CN[C@@H]2CCC[C@@H]2F)c(-c2ccccc2)n1 ZINC000339591620 229081255 /nfs/dbraw/zinc/08/12/55/229081255.db2.gz WTKXJWXUMQXWNF-DLBZAZTESA-N 0 3 312.392 3.444 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000343697482 229129625 /nfs/dbraw/zinc/12/96/25/229129625.db2.gz TXIISUGCROMYNL-LLVKDONJSA-N 0 3 321.218 3.147 20 30 DGEDHN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CCCCC#N)C1 ZINC000343750851 229129760 /nfs/dbraw/zinc/12/97/60/229129760.db2.gz DQYILMLXTVCDCN-GFCCVEGCSA-N 0 3 314.355 3.312 20 30 DGEDHN CC(C#N)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000344390875 229135832 /nfs/dbraw/zinc/13/58/32/229135832.db2.gz SRMLHKAHIKCQBQ-QMTHXVAHSA-N 0 3 302.424 3.443 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000345754216 229156252 /nfs/dbraw/zinc/15/62/52/229156252.db2.gz DEWLZUNVRCYNRJ-LLVKDONJSA-N 0 3 321.218 3.147 20 30 DGEDHN C[C@H](CN(C)C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000349324557 229211248 /nfs/dbraw/zinc/21/12/48/229211248.db2.gz DRCYMDYXLLDSTE-OLZOCXBDSA-N 0 3 320.462 3.152 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000347126888 229182659 /nfs/dbraw/zinc/18/26/59/229182659.db2.gz DHGMEVTZFYJBKD-CXAGYDPISA-N 0 3 306.365 3.453 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000348007586 229195337 /nfs/dbraw/zinc/19/53/37/229195337.db2.gz WEMAURVYVBLFRL-IEBWSBKVSA-N 0 3 315.376 3.044 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000348231505 229200138 /nfs/dbraw/zinc/20/01/38/229200138.db2.gz OLXZOVACWUJCTO-DOTOQJQBSA-N 0 3 319.364 3.027 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000349793193 229218298 /nfs/dbraw/zinc/21/82/98/229218298.db2.gz UVKHBXDNEMXLLY-HZMBPMFUSA-N 0 3 321.218 3.166 20 30 DGEDHN N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccncn1 ZINC000354464940 229296160 /nfs/dbraw/zinc/29/61/60/229296160.db2.gz LGHTVMJTNBBMEF-HNNXBMFYSA-N 0 3 316.320 3.154 20 30 DGEDHN CN(C)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000353429912 229277354 /nfs/dbraw/zinc/27/73/54/229277354.db2.gz VFCVDKUZWRXZBV-MSOLQXFVSA-N 0 3 311.454 3.500 20 30 DGEDHN N#CC(C(=O)c1c2c(nc3ccccc31)CCC2)c1ccncn1 ZINC000354469323 229295043 /nfs/dbraw/zinc/29/50/43/229295043.db2.gz QMMRYCISKCYRIZ-CQSZACIVSA-N 0 3 314.348 3.004 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cc(C)nc3ccccc32)nc(C)n1 ZINC000357552735 229350299 /nfs/dbraw/zinc/35/02/99/229350299.db2.gz YUAIIXHIDDICOO-INIZCTEOSA-N 0 3 316.364 3.440 20 30 DGEDHN N#Cc1cccc(Nc2ccc(CCN3CCSCC3)cc2)n1 ZINC000301806611 229909589 /nfs/dbraw/zinc/90/95/89/229909589.db2.gz AFROFCANXVRGKS-UHFFFAOYSA-N 0 3 324.453 3.288 20 30 DGEDHN COc1ccccc1C(C)(C)NCCOc1ccccc1C#N ZINC000103483714 269796446 /nfs/dbraw/zinc/79/64/46/269796446.db2.gz OLHWURCEMATSNS-UHFFFAOYSA-N 0 3 310.397 3.471 20 30 DGEDHN C[C@@H](NCCCC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000346194345 263981703 /nfs/dbraw/zinc/98/17/03/263981703.db2.gz OCVHAUUNLOEBSN-GFCCVEGCSA-N 0 3 306.381 3.470 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2cccnc2)cc1 ZINC000346975960 264131021 /nfs/dbraw/zinc/13/10/21/264131021.db2.gz GLVXENGPFNELBX-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN Cn1c(CCCNCc2ccc(C#N)cc2F)nc2ccccc21 ZINC000347771901 264281018 /nfs/dbraw/zinc/28/10/18/264281018.db2.gz CATXGEXYTLYPGC-UHFFFAOYSA-N 0 3 322.387 3.306 20 30 DGEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000360644527 270004512 /nfs/dbraw/zinc/00/45/12/270004512.db2.gz AZZKISOVGLFKKR-SUMWQHHRSA-N 0 3 313.445 3.219 20 30 DGEDHN COC(=O)c1cccc(CN2C[C@H](C)CCC[C@H]2C)c1C#N ZINC000534471463 270005174 /nfs/dbraw/zinc/00/51/74/270005174.db2.gz LYMQGQUEBYCNCP-ZIAGYGMSSA-N 0 3 300.402 3.355 20 30 DGEDHN N#Cc1csc(CNC[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000352810384 265177322 /nfs/dbraw/zinc/17/73/22/265177322.db2.gz MRRUYDCWNIJTBL-MWLCHTKSSA-N 0 3 303.353 3.473 20 30 DGEDHN CCCN(CCN1CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC000353150353 266047853 /nfs/dbraw/zinc/04/78/53/266047853.db2.gz BYOVOEKWMSTRBQ-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000355406431 266092855 /nfs/dbraw/zinc/09/28/55/266092855.db2.gz BNWSVCGIMGRXJU-OWCLPIDISA-N 0 3 313.445 3.341 20 30 DGEDHN C=C(C)CN1CCC(N[C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182870191 432236636 /nfs/dbraw/zinc/23/66/36/432236636.db2.gz GLGJPWDMMZLZDU-SFHVURJKSA-N 0 3 324.415 3.282 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCCC[C@H]1C ZINC000353535326 266929466 /nfs/dbraw/zinc/92/94/66/266929466.db2.gz XEWQDQUFHGJXKB-OLZOCXBDSA-N 0 3 318.396 3.082 20 30 DGEDHN CCCCN(CCCC)CC(=O)NCc1ccc(C#N)cc1 ZINC000530971776 267005525 /nfs/dbraw/zinc/00/55/25/267005525.db2.gz HCFPRXSRMISHHF-UHFFFAOYSA-N 0 3 301.434 3.077 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C)[C@H](C)C1 ZINC000362435096 267136831 /nfs/dbraw/zinc/13/68/31/267136831.db2.gz QGSYJPXXJDHHRD-IJLUTSLNSA-N 0 3 305.809 3.126 20 30 DGEDHN C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000360015624 267160467 /nfs/dbraw/zinc/16/04/67/267160467.db2.gz KCCDLCXBRYMBQD-XHSDSOJGSA-N 0 3 313.445 3.041 20 30 DGEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCC[C@H](C)C1 ZINC000349879065 267161564 /nfs/dbraw/zinc/16/15/64/267161564.db2.gz WSADLJJQAIODPN-QWHCGFSZSA-N 0 3 319.836 3.062 20 30 DGEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000524812219 267206250 /nfs/dbraw/zinc/20/62/50/267206250.db2.gz YQAYCDFZAPDPQE-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H]1CCN(c2cccnc2C#N)CCN1Cc1ccccc1 ZINC000368178664 267218791 /nfs/dbraw/zinc/21/87/91/267218791.db2.gz TYHBLUVHZVUEOD-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000349842576 267386501 /nfs/dbraw/zinc/38/65/01/267386501.db2.gz XTLZSJZCLUFPGK-CABCVRRESA-N 0 3 314.433 3.251 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000270359537 432237564 /nfs/dbraw/zinc/23/75/64/432237564.db2.gz GCDJRBJYGIAEKB-UHFFFAOYSA-N 0 3 307.397 3.110 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCCCC[C@H]2O)c(C(F)(F)F)c1 ZINC000356300131 268075296 /nfs/dbraw/zinc/07/52/96/268075296.db2.gz JCUBRUNEWMCATP-HUUCEWRRSA-N 0 3 312.335 3.360 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000353943407 268254404 /nfs/dbraw/zinc/25/44/04/268254404.db2.gz IOTKUQICMNORCW-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN C[C@H]1C[C@H](c2cccnc2)N(CCOc2cccc(C#N)c2)C1 ZINC000359868197 271004114 /nfs/dbraw/zinc/00/41/14/271004114.db2.gz HIIFVWWGWXSDTI-HNAYVOBHSA-N 0 3 307.397 3.415 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)[C@H]1SC ZINC000418148062 273705231 /nfs/dbraw/zinc/70/52/31/273705231.db2.gz SKXBQMQZYPGHKH-XMTFNYHQSA-N 0 3 316.470 3.434 20 30 DGEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccc(F)cc1 ZINC000339037752 273815119 /nfs/dbraw/zinc/81/51/19/273815119.db2.gz VYUXYNFSYZLZDH-GOSISDBHSA-N 0 3 324.403 3.296 20 30 DGEDHN C[C@@H]1CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@H]1CCc2nc[nH]c2C1 ZINC000329609217 274320583 /nfs/dbraw/zinc/32/05/83/274320583.db2.gz NIIIIPNNYIERDB-UVBSCNOISA-N 0 3 324.428 3.094 20 30 DGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000193227972 274877394 /nfs/dbraw/zinc/87/73/94/274877394.db2.gz ZECMUTTVDPGUEM-WBIUFABUSA-N 0 3 303.406 3.263 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CCN(C3CCC3)CC2)cc1 ZINC000267410381 274906637 /nfs/dbraw/zinc/90/66/37/274906637.db2.gz TUHGKRYIMGCSQU-UHFFFAOYSA-N 0 3 322.374 3.227 20 30 DGEDHN N#Cc1cnc(N[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000413052944 274929845 /nfs/dbraw/zinc/92/98/45/274929845.db2.gz ZCLWTXJCVLTQOV-QGZVFWFLSA-N 0 3 310.376 3.341 20 30 DGEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@@H]2C1 ZINC000451699077 275054050 /nfs/dbraw/zinc/05/40/50/275054050.db2.gz KPRDYTZUTVXPGF-JFIYKMOQSA-N 0 3 303.833 3.174 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)[C@@H]1SC ZINC000418148054 276354879 /nfs/dbraw/zinc/35/48/79/276354879.db2.gz SKXBQMQZYPGHKH-FJIDUMEYSA-N 0 3 316.470 3.434 20 30 DGEDHN C=CC1CCN([C@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000348162588 276881732 /nfs/dbraw/zinc/88/17/32/276881732.db2.gz CENDYVBMEMJVDW-SFHVURJKSA-N 0 3 300.446 3.494 20 30 DGEDHN C=CCC(C)(C)CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000419177563 276881924 /nfs/dbraw/zinc/88/19/24/276881924.db2.gz DOQAKCBZPCXLPY-INIZCTEOSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCN(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000153507078 276889006 /nfs/dbraw/zinc/88/90/06/276889006.db2.gz PAYFYFYIDHYBQN-OAHLLOKOSA-N 0 3 321.490 3.349 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCC2(C#N)CCC2)CC1 ZINC000496043116 277184112 /nfs/dbraw/zinc/18/41/12/277184112.db2.gz PQJBJKJYPYRPMJ-CQSZACIVSA-N 0 3 307.438 3.059 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](OC)c1ccccc1 ZINC000338545711 277217933 /nfs/dbraw/zinc/21/79/33/277217933.db2.gz IVQWPJYIAURSOT-HXUWFJFHSA-N 0 3 324.424 3.394 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330232308 277228520 /nfs/dbraw/zinc/22/85/20/277228520.db2.gz FJWXURKWEJCNGY-KFWWJZLASA-N 0 3 318.465 3.306 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330232308 277228521 /nfs/dbraw/zinc/22/85/21/277228521.db2.gz FJWXURKWEJCNGY-KFWWJZLASA-N 0 3 318.465 3.306 20 30 DGEDHN CC(C)(CNC(=O)Nc1cccc2c1OCO2)N1CCCCC1 ZINC000329474925 277294769 /nfs/dbraw/zinc/29/47/69/277294769.db2.gz SXIHFFXRFAZAKK-UHFFFAOYSA-N 0 3 319.405 3.006 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)CCCCC1 ZINC000376402706 277670797 /nfs/dbraw/zinc/67/07/97/277670797.db2.gz KAWAQWRUZJEELL-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN COc1ccccc1OC[C@@H](C)CNCc1cc(C#N)cs1 ZINC000131450349 292655365 /nfs/dbraw/zinc/65/53/65/292655365.db2.gz MRUMPBBMWQRMNT-ZDUSSCGKSA-N 0 3 316.426 3.433 20 30 DGEDHN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000411664867 278330663 /nfs/dbraw/zinc/33/06/63/278330663.db2.gz RWPUZHJBVDPUON-SFHVURJKSA-N 0 3 306.450 3.120 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000411774059 279253021 /nfs/dbraw/zinc/25/30/21/279253021.db2.gz WRYYAWVLGVDJDP-NEPJUHHUSA-N 0 3 314.355 3.311 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](OCCC)CC1 ZINC000108394121 431141516 /nfs/dbraw/zinc/14/15/16/431141516.db2.gz JKFIZTILRPEBCQ-DLBZAZTESA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCN(Cc1cc(=O)n2ccsc2n1)CC1CCCCC1 ZINC000069859781 431229538 /nfs/dbraw/zinc/22/95/38/431229538.db2.gz RVCZTHSVLRXYCK-UHFFFAOYSA-N 0 3 317.458 3.324 20 30 DGEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000112699058 431296538 /nfs/dbraw/zinc/29/65/38/431296538.db2.gz XWEVBKCTOCFYAH-MOPGFXCFSA-N 0 3 313.445 3.124 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000113312324 431341402 /nfs/dbraw/zinc/34/14/02/431341402.db2.gz UOKRSIASGDKGAK-UHFFFAOYSA-N 0 3 309.365 3.107 20 30 DGEDHN C#CCOc1ccc(CNCc2ccccc2-n2ccnc2)cc1 ZINC000113327470 431342461 /nfs/dbraw/zinc/34/24/61/431342461.db2.gz PMYWHKHLAGBDJR-UHFFFAOYSA-N 0 3 317.392 3.174 20 30 DGEDHN CCCN(CCC)CC(=O)Nc1ccccc1SCC#N ZINC000072939176 431359494 /nfs/dbraw/zinc/35/94/94/431359494.db2.gz JTAWHLRZWDYWGM-UHFFFAOYSA-N 0 3 305.447 3.363 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114834377 431416837 /nfs/dbraw/zinc/41/68/37/431416837.db2.gz QDLOKVWDJMKSOZ-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424110643 288164786 /nfs/dbraw/zinc/16/47/86/288164786.db2.gz FEAMNMMDXCZKQM-FGTMMUONSA-N 0 3 313.445 3.192 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2cccc(F)c2)CC1 ZINC000116194004 431493704 /nfs/dbraw/zinc/49/37/04/431493704.db2.gz KYBLIWXWPXCNTI-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN CC(C)[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000117350461 431561254 /nfs/dbraw/zinc/56/12/54/431561254.db2.gz CLIZRZQKKHZUEZ-SFHVURJKSA-N 0 3 313.445 3.444 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000116941346 431540978 /nfs/dbraw/zinc/54/09/78/431540978.db2.gz KXVFESOQCZFNQC-UKRRQHHQSA-N 0 3 309.479 3.395 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452083908 280102790 /nfs/dbraw/zinc/10/27/90/280102790.db2.gz UPCVKHXCPFSUKL-RVKKMQEKSA-N 0 3 307.482 3.187 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000014903574 431597300 /nfs/dbraw/zinc/59/73/00/431597300.db2.gz YQOZJGVVWNGHKG-LJQANCHMSA-N 0 3 321.424 3.371 20 30 DGEDHN CCCC(=O)NC[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396607 431603754 /nfs/dbraw/zinc/60/37/54/431603754.db2.gz VPTXVXKLFOJCRE-DOTOQJQBSA-N 0 3 313.445 3.248 20 30 DGEDHN C[C@H]1CCC[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000078539110 431680398 /nfs/dbraw/zinc/68/03/98/431680398.db2.gz YFADQVPZDMTXII-WMZOPIPTSA-N 0 3 313.445 3.444 20 30 DGEDHN C#CCCCCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000120137434 431725317 /nfs/dbraw/zinc/72/53/17/431725317.db2.gz LFGCBGQRYVQXIS-UHFFFAOYSA-N 0 3 322.518 3.048 20 30 DGEDHN C#CCCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000120492002 431730803 /nfs/dbraw/zinc/73/08/03/431730803.db2.gz OCYNZESNTURMHH-MJGOQNOKSA-N 0 3 310.441 3.323 20 30 DGEDHN C=CCn1c(SCCN(C)C)nnc1-c1cccc(C)c1 ZINC000120986831 431736635 /nfs/dbraw/zinc/73/66/35/431736635.db2.gz MSIKGSUGBQLXLW-UHFFFAOYSA-N 0 3 302.447 3.093 20 30 DGEDHN C=CCN(C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000121184047 431750966 /nfs/dbraw/zinc/75/09/66/431750966.db2.gz BSZVBGHXERUMJV-SFHVURJKSA-N 0 3 314.454 3.462 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121208239 431753433 /nfs/dbraw/zinc/75/34/33/431753433.db2.gz JTTLWXKQQNZUHL-KRWDZBQOSA-N 0 3 324.428 3.472 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000119752025 431716995 /nfs/dbraw/zinc/71/69/95/431716995.db2.gz QDPLOQQIIADPHQ-APWZRJJASA-N 0 3 312.457 3.392 20 30 DGEDHN COc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1OCCCC#N ZINC000119997240 431721235 /nfs/dbraw/zinc/72/12/35/431721235.db2.gz GAZDWNIGISFUFA-ZBFHGGJFSA-N 0 3 318.417 3.035 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000081687366 431797936 /nfs/dbraw/zinc/79/79/36/431797936.db2.gz NVEZZKKXHJEZOB-ONEGZZNKSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC000121634044 431803940 /nfs/dbraw/zinc/80/39/40/431803940.db2.gz JUQXWGSOBIUEMT-UHFFFAOYSA-N 0 3 304.409 3.213 20 30 DGEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cc(C#N)cs2)C1 ZINC000084182575 431818288 /nfs/dbraw/zinc/81/82/88/431818288.db2.gz IDTNECBSSONZJJ-CHWSQXEVSA-N 0 3 319.474 3.106 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000121894902 431808902 /nfs/dbraw/zinc/80/89/02/431808902.db2.gz SZVXUMOODOMZAB-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN(C)CCC(=O)Nc1ccc(Br)cc1F ZINC000121412410 431784277 /nfs/dbraw/zinc/78/42/77/431784277.db2.gz KYDYEFJCBPYOCK-UHFFFAOYSA-N 0 3 315.186 3.035 20 30 DGEDHN Cc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000122809737 431845293 /nfs/dbraw/zinc/84/52/93/431845293.db2.gz UNTPDALCFRXZDT-UHFFFAOYSA-N 0 3 309.413 3.168 20 30 DGEDHN N#CC(C(=O)c1csc(Br)c1)c1ccccn1 ZINC000041481424 431859943 /nfs/dbraw/zinc/85/99/43/431859943.db2.gz KFCHFKGHISREKE-SECBINFHSA-N 0 3 307.172 3.396 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(CC)c(CC)o2)CC1 ZINC000123689633 431871666 /nfs/dbraw/zinc/87/16/66/431871666.db2.gz JWNBONXSCPUHAN-UHFFFAOYSA-N 0 3 304.434 3.175 20 30 DGEDHN CN(C)CCOc1ccc(NCc2ccc(C#N)o2)cc1Cl ZINC000122412587 431831588 /nfs/dbraw/zinc/83/15/88/431831588.db2.gz IQQTUOQCIPITCR-UHFFFAOYSA-N 0 3 319.792 3.357 20 30 DGEDHN C=CCn1c(SCCN(C)C)nnc1-c1cccc(Cl)c1 ZINC000122554691 431837606 /nfs/dbraw/zinc/83/76/06/431837606.db2.gz OZUZDBZTVVFXCT-UHFFFAOYSA-N 0 3 322.865 3.438 20 30 DGEDHN CCN(Cc1cccc(OCCCC#N)c1)C[C@H]1CCCO1 ZINC000092407251 431908842 /nfs/dbraw/zinc/90/88/42/431908842.db2.gz CYOQGRHEOTWWGI-GOSISDBHSA-N 0 3 302.418 3.370 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@]3(CCOC3)C2)ccc1OC ZINC000093820814 431917216 /nfs/dbraw/zinc/91/72/16/431917216.db2.gz YSAUNIJZLNKCNP-LJQANCHMSA-N 0 3 317.429 3.263 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cc(C)cc2C)CC1 ZINC000090554066 431892579 /nfs/dbraw/zinc/89/25/79/431892579.db2.gz LSKPAYICPRNKGE-UHFFFAOYSA-N 0 3 300.446 3.382 20 30 DGEDHN COc1ccccc1N1CCN(CCCC(C)(C)C#N)CC1 ZINC000124598922 431899353 /nfs/dbraw/zinc/89/93/53/431899353.db2.gz UUNOGSDLDLMDPX-UHFFFAOYSA-N 0 3 301.434 3.147 20 30 DGEDHN C=C(C)CN1CCC(NCc2ccn(-c3ccccc3)n2)CC1 ZINC000091060114 431901272 /nfs/dbraw/zinc/90/12/72/431901272.db2.gz HFYWLBCLSPKXRM-UHFFFAOYSA-N 0 3 310.445 3.002 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000127514721 431973831 /nfs/dbraw/zinc/97/38/31/431973831.db2.gz YXXHHWWGYXUUDG-ZIAGYGMSSA-N 0 3 310.401 3.476 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000125703883 431933800 /nfs/dbraw/zinc/93/38/00/431933800.db2.gz ZIWSPWVXBDOHDV-JLAWEPINSA-N 0 3 310.372 3.073 20 30 DGEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C1CC1)C1CC1 ZINC000050989576 431950188 /nfs/dbraw/zinc/95/01/88/431950188.db2.gz VDBDWFCYGDCLPQ-UHFFFAOYSA-N 0 3 317.820 3.271 20 30 DGEDHN Cn1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1C#N ZINC000191475935 432269206 /nfs/dbraw/zinc/26/92/06/432269206.db2.gz YKNNMJJIRIWJMM-BEFAXECRSA-N 0 3 309.413 3.154 20 30 DGEDHN Cn1cc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191556182 432277147 /nfs/dbraw/zinc/27/71/47/432277147.db2.gz QTMGHELGYIGKHP-DLBZAZTESA-N 0 3 315.804 3.170 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000183290807 432277896 /nfs/dbraw/zinc/27/78/96/432277896.db2.gz VDRHTFXJHPYJMA-XJKSGUPXSA-N 0 3 315.417 3.218 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCC2 ZINC000191393686 432261072 /nfs/dbraw/zinc/26/10/72/432261072.db2.gz ZGEWAOHYBIUPER-DLBZAZTESA-N 0 3 301.434 3.066 20 30 DGEDHN COc1ncccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183152375 432263973 /nfs/dbraw/zinc/26/39/73/432263973.db2.gz KPZOVHXIALMJRV-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000271075752 432326556 /nfs/dbraw/zinc/32/65/56/432326556.db2.gz RHUCABLPQQLTNJ-UHFFFAOYSA-N 0 3 300.427 3.311 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN(CCO)C3CC3)c2)c1 ZINC000271085923 432328644 /nfs/dbraw/zinc/32/86/44/432328644.db2.gz UAOPQHXNXQKEIH-UHFFFAOYSA-N 0 3 322.408 3.094 20 30 DGEDHN CC(C)(CNCc1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000174255352 432332500 /nfs/dbraw/zinc/33/25/00/432332500.db2.gz SQNVOXLSTLTCKK-UHFFFAOYSA-N 0 3 309.413 3.078 20 30 DGEDHN C[C@@H](CN(C)CCOc1ccccc1C#N)c1nccs1 ZINC000184022149 432346169 /nfs/dbraw/zinc/34/61/69/432346169.db2.gz AOCIFKCLJIMYHI-ZDUSSCGKSA-N 0 3 301.415 3.129 20 30 DGEDHN C#CCCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000270979487 432311579 /nfs/dbraw/zinc/31/15/79/432311579.db2.gz CCAYZCLUHVEXFD-UHFFFAOYSA-N 0 3 320.820 3.110 20 30 DGEDHN COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000270994585 432312612 /nfs/dbraw/zinc/31/26/12/432312612.db2.gz FRMMXOZHQSJSFY-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN N#Cc1ccc(CNCCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000152212006 432313471 /nfs/dbraw/zinc/31/34/71/432313471.db2.gz GKGGELORFPYFRG-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2cc3ccccc3o2)CC1 ZINC000254958689 432406379 /nfs/dbraw/zinc/40/63/79/432406379.db2.gz XVOWQSJIOUOVKI-FPLPWBNLSA-N 0 3 310.397 3.213 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000152825727 432359938 /nfs/dbraw/zinc/35/99/38/432359938.db2.gz FOZGQQFXUKDWOQ-SJORKVTESA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@]2(C)CCCO2)ccc1OC ZINC000152891089 432365835 /nfs/dbraw/zinc/36/58/35/432365835.db2.gz KKHCHLLXTYNQSB-GOSISDBHSA-N 0 3 305.418 3.309 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000250209627 432366546 /nfs/dbraw/zinc/36/65/46/432366546.db2.gz MEJAAROQRJXKKG-UKRRQHHQSA-N 0 3 314.433 3.109 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(C(C)C)s2)CC1 ZINC000192400268 432371214 /nfs/dbraw/zinc/37/12/14/432371214.db2.gz VUYZLAGELDXIBK-UHFFFAOYSA-N 0 3 322.478 3.429 20 30 DGEDHN COC(=O)CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000192985443 432437347 /nfs/dbraw/zinc/43/73/47/432437347.db2.gz VQOZOKYRNSMMBB-XIRDDKMYSA-N 0 3 300.402 3.353 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000175477060 432440142 /nfs/dbraw/zinc/44/01/42/432440142.db2.gz WFYXWRKXQMQXMM-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCC1 ZINC000193210643 432457243 /nfs/dbraw/zinc/45/72/43/432457243.db2.gz JNAFKGALGKPGTN-UHFFFAOYSA-N 0 3 305.466 3.182 20 30 DGEDHN C=CCCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000175247033 432415631 /nfs/dbraw/zinc/41/56/31/432415631.db2.gz QIFHTPCCGWWSBM-UHFFFAOYSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C[C@@H](CC(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000153525156 432417584 /nfs/dbraw/zinc/41/75/84/432417584.db2.gz SVZNQXXPJWWFEV-KRWDZBQOSA-N 0 3 300.446 3.194 20 30 DGEDHN COC(=O)c1ccc2c(c1)CN(CC(C)(C)CCC#N)CC2 ZINC000272356914 432487864 /nfs/dbraw/zinc/48/78/64/432487864.db2.gz MAZYARDTYUYSQX-UHFFFAOYSA-N 0 3 300.402 3.161 20 30 DGEDHN C=CC[C@@H](C)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154672698 432512796 /nfs/dbraw/zinc/51/27/96/432512796.db2.gz IYFMKADNFRGBKQ-CQSZACIVSA-N 0 3 305.422 3.022 20 30 DGEDHN CC(C)CCOC1CCN(CCOc2ccccc2C#N)CC1 ZINC000193756815 432496723 /nfs/dbraw/zinc/49/67/23/432496723.db2.gz NWSLVXBGVVUHHK-UHFFFAOYSA-N 0 3 316.445 3.464 20 30 DGEDHN C=CCN1CCC(NC(=O)c2sc(C)nc2CC(C)C)CC1 ZINC000176301411 432508096 /nfs/dbraw/zinc/50/80/96/432508096.db2.gz UDGDOYHUKXAOQL-UHFFFAOYSA-N 0 3 321.490 3.030 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CC1CCN(C)CC1 ZINC000273168628 432559199 /nfs/dbraw/zinc/55/91/99/432559199.db2.gz DLSCYYKGIJEBJF-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000263046837 432515985 /nfs/dbraw/zinc/51/59/85/432515985.db2.gz WJGAUDOPJPOCBB-JTQLQIEISA-N 0 3 316.323 3.084 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCc3c2cccc3Cl)CC1 ZINC000176387926 432518169 /nfs/dbraw/zinc/51/81/69/432518169.db2.gz XKHJTHOFEXGZLD-UHFFFAOYSA-N 0 3 319.836 3.063 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000176500971 432529755 /nfs/dbraw/zinc/52/97/55/432529755.db2.gz DBYILGGPEGEMNO-HNNXBMFYSA-N 0 3 307.482 3.295 20 30 DGEDHN COc1ccc([C@@H]2CCN(CCOc3cccc(C#N)c3)C2)cc1 ZINC000155199208 432543688 /nfs/dbraw/zinc/54/36/88/432543688.db2.gz FMLNWBWVKSBUQZ-GOSISDBHSA-N 0 3 322.408 3.435 20 30 DGEDHN C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)C1=CCN(C)CC1 ZINC000273060181 432545313 /nfs/dbraw/zinc/54/53/13/432545313.db2.gz YHHPSZLJJKFCGF-SNVBAGLBSA-N 0 3 310.323 3.034 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(OC)c2)CC1 ZINC000194379754 432546439 /nfs/dbraw/zinc/54/64/39/432546439.db2.gz ZIIOSOFKRYDFTO-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000176944605 432568165 /nfs/dbraw/zinc/56/81/65/432568165.db2.gz UGMWKSVHOVPZQD-CQSZACIVSA-N 0 3 311.454 3.156 20 30 DGEDHN C=CCc1cc(OC)ccc1OC(=O)C1CCN(C2CC2)CC1 ZINC000195306446 432616892 /nfs/dbraw/zinc/61/68/92/432616892.db2.gz OSJFERLSZBXSPB-UHFFFAOYSA-N 0 3 315.413 3.204 20 30 DGEDHN COc1ccc(COCCCNCc2ccc(C#N)s2)cc1 ZINC000176961577 432571533 /nfs/dbraw/zinc/57/15/33/432571533.db2.gz VUFHIHRCHSBZKX-UHFFFAOYSA-N 0 3 316.426 3.325 20 30 DGEDHN CC(C)CN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176991316 432572341 /nfs/dbraw/zinc/57/23/41/432572341.db2.gz QQWWBHLJLFAARP-UHFFFAOYSA-N 0 3 324.390 3.331 20 30 DGEDHN COc1cccc(OC)c1OC1CCN(CCCCC#N)CC1 ZINC000263807031 432579818 /nfs/dbraw/zinc/57/98/18/432579818.db2.gz LOBZIFYDPUKJAI-UHFFFAOYSA-N 0 3 318.417 3.241 20 30 DGEDHN COc1ccc([C@@H](CN2CCCC2)Nc2ccc(C#N)nc2)cc1 ZINC000273309627 432582958 /nfs/dbraw/zinc/58/29/58/432582958.db2.gz NEFWYWSSEKSDAQ-LJQANCHMSA-N 0 3 322.412 3.211 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1/N=C/c1cccc(O)c1O ZINC000274068234 432633971 /nfs/dbraw/zinc/63/39/71/432633971.db2.gz KDNLIMRUJBSAJC-GJECZMHMSA-N 0 3 310.397 3.037 20 30 DGEDHN COc1ccccc1[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000157976561 432634308 /nfs/dbraw/zinc/63/43/08/432634308.db2.gz PKQVUSDPRYWJSP-KRWDZBQOSA-N 0 3 322.408 3.435 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(OCC)c2)CC1 ZINC000264451966 432648028 /nfs/dbraw/zinc/64/80/28/432648028.db2.gz NDZLJWAMLGFOIN-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000264356842 432639227 /nfs/dbraw/zinc/63/92/27/432639227.db2.gz FINQIQJZJZFIRZ-UHFFFAOYSA-N 0 3 315.417 3.051 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(CCC)c(C)s2)CC1 ZINC000264462591 432648278 /nfs/dbraw/zinc/64/82/78/432648278.db2.gz GSEQOFNTPYYSHM-UHFFFAOYSA-N 0 3 306.475 3.389 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCC2(CC2)C1 ZINC000186996423 432641804 /nfs/dbraw/zinc/64/18/04/432641804.db2.gz DUYBVJHMPKGLHV-KRWDZBQOSA-N 0 3 301.430 3.031 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000264434048 432646108 /nfs/dbraw/zinc/64/61/08/432646108.db2.gz VIDPSMCQGZRKHK-GOSISDBHSA-N 0 3 313.445 3.087 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2csc(C(C)(C)C)n2)CC1 ZINC000264471409 432649667 /nfs/dbraw/zinc/64/96/67/432649667.db2.gz IZVCGRGEWUSHSG-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN CCN(CC)[C@H](CNCc1cc(C#N)cs1)c1ccco1 ZINC000177692548 432650863 /nfs/dbraw/zinc/65/08/63/432650863.db2.gz OPPZCFIHYRWLIL-OAHLLOKOSA-N 0 3 303.431 3.385 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000264484405 432651373 /nfs/dbraw/zinc/65/13/73/432651373.db2.gz MEVRJOWOLWYCBQ-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158582676 432651984 /nfs/dbraw/zinc/65/19/84/432651984.db2.gz RAYYUHMFJOLTNT-HRCADAONSA-N 0 3 309.475 3.348 20 30 DGEDHN C[C@H](NC(=O)c1sccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000187270205 432654782 /nfs/dbraw/zinc/65/47/82/432654782.db2.gz HMVXDUSGAYJRRS-WFASDCNBSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)o2)CCN1C(=O)OC(C)(C)C ZINC000219467676 432664202 /nfs/dbraw/zinc/66/42/02/432664202.db2.gz COGGWKCOTDQSTG-STQMWFEESA-N 0 3 319.405 3.029 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)/C=C\c2cccc(C#N)c2)c1 ZINC000221680906 432667566 /nfs/dbraw/zinc/66/75/66/432667566.db2.gz GARSOPJRJPAOAV-KTKRTIGZSA-N 0 3 305.381 3.272 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2CCOc2ccccc2C#N)n1 ZINC000159787784 432696362 /nfs/dbraw/zinc/69/63/62/432696362.db2.gz XUAPFEMAVZKGBV-SFHVURJKSA-N 0 3 307.397 3.478 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@H](C)C1 ZINC000187970803 432696843 /nfs/dbraw/zinc/69/68/43/432696843.db2.gz WOTJPILYLXGAPU-IRXDYDNUSA-N 0 3 313.445 3.444 20 30 DGEDHN COc1ccc(C#N)cc1CN(C[C@@H](C)O)C1CCCCC1 ZINC000159868980 432699399 /nfs/dbraw/zinc/69/93/99/432699399.db2.gz MPBZMZZPEIBMBN-CQSZACIVSA-N 0 3 302.418 3.082 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000265532301 432707387 /nfs/dbraw/zinc/70/73/87/432707387.db2.gz PTSNUHXESQRPHN-LBPRGKRZSA-N 0 3 322.811 3.002 20 30 DGEDHN CC[C@@H](CC#N)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000227200232 432710327 /nfs/dbraw/zinc/71/03/27/432710327.db2.gz SPGQBWOGQARRAU-AVOUXACISA-N 0 3 307.438 3.199 20 30 DGEDHN C=C(C)CCN1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000274816101 432711696 /nfs/dbraw/zinc/71/16/96/432711696.db2.gz WQGMWASPXQZMFB-OAHLLOKOSA-N 0 3 323.506 3.324 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000178252210 432712031 /nfs/dbraw/zinc/71/20/31/432712031.db2.gz ZCSOLQRLTXOOPI-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN N#Cc1c(Cl)nsc1N1CCC[C@H]1CN1CCCCC1 ZINC000160432067 432721314 /nfs/dbraw/zinc/72/13/14/432721314.db2.gz VBVZKUMVJICDSJ-NSHDSACASA-N 0 3 310.854 3.123 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000187718708 432680023 /nfs/dbraw/zinc/68/00/23/432680023.db2.gz HQFIRUMFZAIZDP-NVXWUHKLSA-N 0 3 308.429 3.307 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1nccnc1C)C(C)C ZINC000187756858 432684090 /nfs/dbraw/zinc/68/40/90/432684090.db2.gz RSNJKFFSUDKLEY-IRXDYDNUSA-N 0 3 302.466 3.134 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068181 432761521 /nfs/dbraw/zinc/76/15/21/432761521.db2.gz IOLVVGYLDQLCGH-CRAIPNDOSA-N 0 3 300.446 3.335 20 30 DGEDHN N#Cc1c(Cl)nsc1NC1CCN(C2CCCC2)CC1 ZINC000267146753 432816190 /nfs/dbraw/zinc/81/61/90/432816190.db2.gz BGCRPUHPVVMSRN-UHFFFAOYSA-N 0 3 310.854 3.487 20 30 DGEDHN N#Cc1ccc(CN2CCN(C3CCCC3)CC2)c(Cl)c1 ZINC000162898726 432837495 /nfs/dbraw/zinc/83/74/95/432837495.db2.gz SYHXDXYCIYOQPT-UHFFFAOYSA-N 0 3 303.837 3.272 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCCN1CC)c1ccccc1 ZINC000189411684 432784100 /nfs/dbraw/zinc/78/41/00/432784100.db2.gz NFELLDVCNPJXAE-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN Cn1ncc2c1CCC[C@H]2NCc1cccc(OCCCC#N)c1 ZINC000237734468 432799332 /nfs/dbraw/zinc/79/93/32/432799332.db2.gz FNOBVMZFKOGLOY-GOSISDBHSA-N 0 3 324.428 3.270 20 30 DGEDHN C=CCCN(C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000276351904 432799862 /nfs/dbraw/zinc/79/98/62/432799862.db2.gz DKHJDGXYCDGYER-ZDUSSCGKSA-N 0 3 302.187 3.130 20 30 DGEDHN CCOC(CC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])OCC ZINC000276351855 432800092 /nfs/dbraw/zinc/80/00/92/432800092.db2.gz KSFWOPPHNBGSKP-XMHGGMMESA-N 0 3 322.449 3.447 20 30 DGEDHN C=CCN(CCCCCS(=O)(=O)CC)CCc1ccccc1 ZINC000276476709 432811634 /nfs/dbraw/zinc/81/16/34/432811634.db2.gz OFTIHJYGNMHIQW-UHFFFAOYSA-N 0 3 323.502 3.322 20 30 DGEDHN C[C@@H]1CN(CCCNc2c(C#N)cnc3ccccc32)CCCO1 ZINC000277629325 432866131 /nfs/dbraw/zinc/86/61/31/432866131.db2.gz MVNNYMXSDOAZEU-OAHLLOKOSA-N 0 3 324.428 3.019 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000278591973 432896283 /nfs/dbraw/zinc/89/62/83/432896283.db2.gz UCIZQUUOYSAVPZ-MRXNPFEDSA-N 0 3 301.434 3.126 20 30 DGEDHN C=CCC[C@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000246058097 432875420 /nfs/dbraw/zinc/87/54/20/432875420.db2.gz VSDFZUUNUZZSNC-HKUYNNGSSA-N 0 3 319.445 3.003 20 30 DGEDHN C[C@H]1CN(CCCNc2c(Cl)cccc2C#N)CCCO1 ZINC000277773280 432875590 /nfs/dbraw/zinc/87/55/90/432875590.db2.gz WHXBWWPLDNCBSW-ZDUSSCGKSA-N 0 3 307.825 3.124 20 30 DGEDHN C[C@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)C1=CCN(C)CC1 ZINC000330020098 432888580 /nfs/dbraw/zinc/88/85/80/432888580.db2.gz WDCMIGYGYIFSQR-SUMWQHHRSA-N 0 3 314.429 3.419 20 30 DGEDHN Clc1cccc(C#CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000296305055 432894245 /nfs/dbraw/zinc/89/42/45/432894245.db2.gz ZZSVDNCISQTVNL-GVDBMIGSSA-N 0 3 301.817 3.239 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000268197642 432854415 /nfs/dbraw/zinc/85/44/15/432854415.db2.gz LYPBGHSJAFQNIQ-UHFFFAOYSA-N 0 3 306.475 3.407 20 30 DGEDHN Fc1cc(CNCCOCC(F)(F)C(F)F)cc(F)c1F ZINC000277517664 432857761 /nfs/dbraw/zinc/85/77/61/432857761.db2.gz SCZZSSNSTQGMLR-UHFFFAOYSA-N 0 3 319.220 3.111 20 30 DGEDHN C=CC[C@H]1N(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCCC1(C)C ZINC000278960735 432922429 /nfs/dbraw/zinc/92/24/29/432922429.db2.gz AQFUJTHRRADXML-DOTOQJQBSA-N 0 3 319.493 3.413 20 30 DGEDHN C#Cc1ccc(CN(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000289200907 432932319 /nfs/dbraw/zinc/93/23/19/432932319.db2.gz VMENPSMEMIIDDQ-UHFFFAOYSA-N 0 3 320.436 3.137 20 30 DGEDHN CC(C)(C)c1ccccc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000331348622 432939102 /nfs/dbraw/zinc/93/91/02/432939102.db2.gz MZXWKKUHEOBJGZ-OAHLLOKOSA-N 0 3 318.461 3.136 20 30 DGEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H](O)c1c(F)cccc1F ZINC000278652317 432897928 /nfs/dbraw/zinc/89/79/28/432897928.db2.gz IDXRFHCCXPYTCM-LVRJZDEYSA-N 0 3 308.372 3.449 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000278707710 432899235 /nfs/dbraw/zinc/89/92/35/432899235.db2.gz LIWYDPNGJAPLPO-NWDGAFQWSA-N 0 3 313.323 3.151 20 30 DGEDHN CCn1nccc1C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000278783870 432900588 /nfs/dbraw/zinc/90/05/88/432900588.db2.gz DMJIMEGMRXXSPY-UHFFFAOYSA-N 0 3 324.428 3.185 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000330445153 432910137 /nfs/dbraw/zinc/91/01/37/432910137.db2.gz CWNZJDMMJMUVFS-ZDUSSCGKSA-N 0 3 320.393 3.041 20 30 DGEDHN C#C[C@H](NCc1ccc(OCc2ccncc2)c(OC)c1)C(C)C ZINC000289081139 432920339 /nfs/dbraw/zinc/92/03/39/432920339.db2.gz AXETWQAOXHCGQQ-SFHVURJKSA-N 0 3 324.424 3.417 20 30 DGEDHN CC1(C)CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279505317 432976706 /nfs/dbraw/zinc/97/67/06/432976706.db2.gz ZVVUBHLVATVYFU-UHFFFAOYSA-N 0 3 323.444 3.481 20 30 DGEDHN C=CCOc1ccc(CNCCc2nnc(C)s2)cc1Cl ZINC000289970403 432981347 /nfs/dbraw/zinc/98/13/47/432981347.db2.gz WBAAEBBPOKRQFN-UHFFFAOYSA-N 0 3 323.849 3.397 20 30 DGEDHN CC1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279751889 432990553 /nfs/dbraw/zinc/99/05/53/432990553.db2.gz QIFYDLZTUCIVLP-GMXGEUMGSA-N 0 3 309.413 3.278 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000279707551 432991618 /nfs/dbraw/zinc/99/16/18/432991618.db2.gz KPHMNKXXGIVBGD-NONVJHHQSA-N 0 3 309.413 3.181 20 30 DGEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000279810130 432993344 /nfs/dbraw/zinc/99/33/44/432993344.db2.gz XEPCLDVCMOSQAT-DNVCBOLYSA-N 0 3 310.397 3.455 20 30 DGEDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279266671 432951402 /nfs/dbraw/zinc/95/14/02/432951402.db2.gz MVVNNTJTXCCCGS-FZMZJTMJSA-N 0 3 305.809 3.318 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)C(C)C ZINC000289391812 432953723 /nfs/dbraw/zinc/95/37/23/432953723.db2.gz NQXAHUJTJSAYPN-MRXNPFEDSA-N 0 3 300.402 3.125 20 30 DGEDHN CC1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279335017 432957336 /nfs/dbraw/zinc/95/73/36/432957336.db2.gz DIFSDASOHSEISY-UHFFFAOYSA-N 0 3 309.417 3.091 20 30 DGEDHN CN(CCOc1cc(F)cc(C#N)c1)Cc1ccc(F)cc1 ZINC000341282897 433015214 /nfs/dbraw/zinc/01/52/14/433015214.db2.gz OQWGPIQOUXHGED-UHFFFAOYSA-N 0 3 302.324 3.347 20 30 DGEDHN CC(C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280217156 433017029 /nfs/dbraw/zinc/01/70/29/433017029.db2.gz ALHYPGWTXGAZCR-ROUUACIJSA-N 0 3 309.413 3.135 20 30 DGEDHN CN1CCC(N(Cc2ccc(C#N)o2)Cc2ccccc2)CC1 ZINC000290400323 433045941 /nfs/dbraw/zinc/04/59/41/433045941.db2.gz JJCWHPZQEULPCV-UHFFFAOYSA-N 0 3 309.413 3.248 20 30 DGEDHN CC(C)N(CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000350081761 433069201 /nfs/dbraw/zinc/06/92/01/433069201.db2.gz ZWMZDUSNSFMPAI-UHFFFAOYSA-N 0 3 324.424 3.340 20 30 DGEDHN N#Cc1cccc(CCNCc2cn3cc(Cl)ccc3n2)c1 ZINC000341468923 433075550 /nfs/dbraw/zinc/07/55/50/433075550.db2.gz AHXXGFOANYBTQS-UHFFFAOYSA-N 0 3 310.788 3.192 20 30 DGEDHN C[C@H]1CCc2nc(CNCCc3cccc(C#N)c3)sc2C1 ZINC000341478101 433082377 /nfs/dbraw/zinc/08/23/77/433082377.db2.gz GUIVUEIPLUQNMG-ZDUSSCGKSA-N 0 3 311.454 3.472 20 30 DGEDHN C=CCCCCCN1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000373286247 433145114 /nfs/dbraw/zinc/14/51/14/433145114.db2.gz QVUKRSPAYXOPNZ-HNNXBMFYSA-N 0 3 304.438 3.294 20 30 DGEDHN C=CCCC[C@@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373450448 433152269 /nfs/dbraw/zinc/15/22/69/433152269.db2.gz ZBQGHIPUQZCHMU-DOMZBBRYSA-N 0 3 311.422 3.379 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Br)o1 ZINC000280618867 433110092 /nfs/dbraw/zinc/11/00/92/433110092.db2.gz KURJSPGWAYBFMS-GWCFXTLKSA-N 0 3 300.196 3.113 20 30 DGEDHN CC1CCN(CCNc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000341522237 433112672 /nfs/dbraw/zinc/11/26/72/433112672.db2.gz GTXIJHVWBHOHAL-UHFFFAOYSA-N 0 3 317.824 3.003 20 30 DGEDHN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425347936 433184824 /nfs/dbraw/zinc/18/48/24/433184824.db2.gz DIPSWJYKXJYQLX-GOEBONIOSA-N 0 3 300.402 3.424 20 30 DGEDHN N#Cc1c(CN2CC[C@@H](C3CCOCC3)C2)cn2ccccc12 ZINC000374356881 433185867 /nfs/dbraw/zinc/18/58/67/433185867.db2.gz IAQYPMGSKXLUIC-MRXNPFEDSA-N 0 3 309.413 3.059 20 30 DGEDHN C#CC(C)(C)N(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000298677791 433212016 /nfs/dbraw/zinc/21/20/16/433212016.db2.gz YTNOLQYCIOSXKS-UHFFFAOYSA-N 0 3 303.793 3.276 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(SCC)cc2)C1=O ZINC000337196599 433216300 /nfs/dbraw/zinc/21/63/00/433216300.db2.gz XNRUATGKYJFAPR-CJNGLKHVSA-N 0 3 304.459 3.236 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000337446963 433231984 /nfs/dbraw/zinc/23/19/84/433231984.db2.gz CLCMUWNTXNVMQI-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN COc1ccc(C[C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000361555875 433243980 /nfs/dbraw/zinc/24/39/80/433243980.db2.gz DELMWNYRMQIFGH-QGZVFWFLSA-N 0 3 323.440 3.360 20 30 DGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1 ZINC000350656689 433247666 /nfs/dbraw/zinc/24/76/66/433247666.db2.gz JGACEBSIFYLBHX-UHFFFAOYSA-N 0 3 321.424 3.315 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Nc1cccc(C#N)c1 ZINC000454208127 433323250 /nfs/dbraw/zinc/32/32/50/433323250.db2.gz LRKLMONYYZODPH-KRWDZBQOSA-N 0 3 314.433 3.190 20 30 DGEDHN C[C@H](c1cccnc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000298940778 433281542 /nfs/dbraw/zinc/28/15/42/433281542.db2.gz CWZZTCLUNKOHNM-MRXNPFEDSA-N 0 3 306.413 3.227 20 30 DGEDHN C#CC[C@@H](NCCC(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000298998813 433291771 /nfs/dbraw/zinc/29/17/71/433291771.db2.gz QGSWWTUODMMSIN-LJQANCHMSA-N 0 3 322.408 3.378 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cc3ccccc3s2)C1=O ZINC000281403465 433298474 /nfs/dbraw/zinc/29/84/74/433298474.db2.gz QQYREHOVAYUKCR-GXTWGEPZSA-N 0 3 300.427 3.339 20 30 DGEDHN CN(CCC#N)c1ccc(CNCCOC2CCCCC2)cc1 ZINC000299357816 433364243 /nfs/dbraw/zinc/36/42/43/433364243.db2.gz UMUYKVXZPQXEKN-UHFFFAOYSA-N 0 3 315.461 3.475 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)(F)F ZINC000413970674 433330122 /nfs/dbraw/zinc/33/01/22/433330122.db2.gz AIJLVWNZCKHVNM-TZMCWYRMSA-N 0 3 312.335 3.464 20 30 DGEDHN C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccn(C)n1 ZINC000414105385 433401158 /nfs/dbraw/zinc/40/11/58/433401158.db2.gz WDPSRVCTFSFGKN-OOHWJJMZSA-N 0 3 324.428 3.333 20 30 DGEDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000292049189 433440198 /nfs/dbraw/zinc/44/01/98/433440198.db2.gz YZCQAMAYUVVLSN-XJKSGUPXSA-N 0 3 323.371 3.153 20 30 DGEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(N2CCOCC2)c1 ZINC000414174560 433442898 /nfs/dbraw/zinc/44/28/98/433442898.db2.gz YGXSRJNEEPURAU-HNNXBMFYSA-N 0 3 301.434 3.114 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000426211435 433442900 /nfs/dbraw/zinc/44/29/00/433442900.db2.gz BWVCSZWBGCOBCH-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000342062622 433446385 /nfs/dbraw/zinc/44/63/85/433446385.db2.gz UILMQAQKTNLNMO-IYBDPMFKSA-N 0 3 313.445 3.168 20 30 DGEDHN C=C(C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000454509647 433453548 /nfs/dbraw/zinc/45/35/48/433453548.db2.gz DNXCTDJZPFFFSH-INIZCTEOSA-N 0 3 315.461 3.477 20 30 DGEDHN CCC(=O)[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339354005 433525567 /nfs/dbraw/zinc/52/55/67/433525567.db2.gz KALKRRBLNNIBLM-DLBZAZTESA-N 0 3 312.413 3.119 20 30 DGEDHN C[C@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000414304333 433529418 /nfs/dbraw/zinc/52/94/18/433529418.db2.gz XTXXKODGOYTXKU-BLLLJJGKSA-N 0 3 316.351 3.263 20 30 DGEDHN CO[C@@]1(C)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000355209349 433536068 /nfs/dbraw/zinc/53/60/68/433536068.db2.gz AUNXJWBERNWURA-SFHVURJKSA-N 0 3 302.418 3.370 20 30 DGEDHN Cc1cc(CN[C@H](CN(C)C)c2ccc(F)cc2)ccc1C#N ZINC000342204326 433537106 /nfs/dbraw/zinc/53/71/06/433537106.db2.gz PCCVNKGXCWJXQW-LJQANCHMSA-N 0 3 311.404 3.398 20 30 DGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(C#N)s1 ZINC000421353852 433495855 /nfs/dbraw/zinc/49/58/55/433495855.db2.gz UZWVQXDMPPEVCJ-NSHDSACASA-N 0 3 301.371 3.249 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1Cl ZINC000421360613 433506587 /nfs/dbraw/zinc/50/65/87/433506587.db2.gz JFHRKGVRXPUXPB-UKRRQHHQSA-N 0 3 309.837 3.355 20 30 DGEDHN Cc1ccc(CNC2CCC(Oc3ccccc3C#N)CC2)nn1 ZINC000414352094 433563613 /nfs/dbraw/zinc/56/36/13/433563613.db2.gz PDTNWNDVVCXWJS-UHFFFAOYSA-N 0 3 322.412 3.137 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N(C)CCN(C)C3CC3)c2c1 ZINC000351561339 433574579 /nfs/dbraw/zinc/57/45/79/433574579.db2.gz GIDMDFQDVKAPPV-UHFFFAOYSA-N 0 3 308.429 3.254 20 30 DGEDHN CCCCN(CCCO)Cc1ccc(C#N)cc1OC(F)F ZINC000342284252 433585463 /nfs/dbraw/zinc/58/54/63/433585463.db2.gz RFUKTZWZNRZOKK-UHFFFAOYSA-N 0 3 312.360 3.144 20 30 DGEDHN C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282800642 433631821 /nfs/dbraw/zinc/63/18/21/433631821.db2.gz QEWCETPKHGUMIZ-QGZVFWFLSA-N 0 3 315.461 3.115 20 30 DGEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCC1(F)F ZINC000426785817 433597399 /nfs/dbraw/zinc/59/73/99/433597399.db2.gz RGACTFXWADMPJE-HIFRSBDPSA-N 0 3 306.356 3.263 20 30 DGEDHN CCOc1ccccc1CN1CCN(CCCCC#N)[C@H](C)C1 ZINC000282527551 433613108 /nfs/dbraw/zinc/61/31/08/433613108.db2.gz YTMIHIOEOOGILD-QGZVFWFLSA-N 0 3 315.461 3.285 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000448921407 433616788 /nfs/dbraw/zinc/61/67/88/433616788.db2.gz MOXKHGCDLIFDEG-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000282751522 433627072 /nfs/dbraw/zinc/62/70/72/433627072.db2.gz AUQUXPIRAVYSEJ-NILFDRSVSA-N 0 3 323.234 3.154 20 30 DGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H](CO)CC(C)(C)C ZINC000456429342 433659864 /nfs/dbraw/zinc/65/98/64/433659864.db2.gz CIOAGLMATZGLBJ-IRXDYDNUSA-N 0 3 316.445 3.014 20 30 DGEDHN C[C@@H]1CN(CCCCNc2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000301726193 433694370 /nfs/dbraw/zinc/69/43/70/433694370.db2.gz QBKNSOKTESUEST-CHWSQXEVSA-N 0 3 323.387 3.138 20 30 DGEDHN COc1ccc(CN2CC3(CCOCC3)[C@@H]2C(C)C)cc1C#N ZINC000414544457 433708782 /nfs/dbraw/zinc/70/87/82/433708782.db2.gz VCWGXDVMEOXKQF-SFHVURJKSA-N 0 3 314.429 3.204 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](CC4CC4)C3)C2=O)cc1 ZINC000339674564 433720303 /nfs/dbraw/zinc/72/03/03/433720303.db2.gz AZHVZORRGCDRJN-HKUYNNGSSA-N 0 3 323.440 3.176 20 30 DGEDHN CC[C@@H](NC(=O)C(C)C#N)c1cc(F)cc(Br)c1 ZINC000362508142 433732677 /nfs/dbraw/zinc/73/26/77/433732677.db2.gz XTDWAISWBPIIAN-PRHODGIISA-N 0 3 313.170 3.315 20 30 DGEDHN Cc1ccc(C)c(OC2CCN(CCOCCC#N)CC2)c1 ZINC000293437176 433738846 /nfs/dbraw/zinc/73/88/46/433738846.db2.gz JSRIJHWPQZAAKX-UHFFFAOYSA-N 0 3 302.418 3.077 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000449701554 433761307 /nfs/dbraw/zinc/76/13/07/433761307.db2.gz SWPFWOVKCYALHX-KRWDZBQOSA-N 0 3 313.445 3.412 20 30 DGEDHN N#Cc1ccnc(N2CCC[C@@H]2CN2CCCCC2)c1Cl ZINC000429202217 433776094 /nfs/dbraw/zinc/77/60/94/433776094.db2.gz UGIJCKLWQWKFFV-CQSZACIVSA-N 0 3 304.825 3.061 20 30 DGEDHN C#Cc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000283908333 433798534 /nfs/dbraw/zinc/79/85/34/433798534.db2.gz GOQOEUFESZVQSD-UHFFFAOYSA-N 0 3 324.449 3.124 20 30 DGEDHN C[C@@H](NCC#CCN[C@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000283969468 433806065 /nfs/dbraw/zinc/80/60/65/433806065.db2.gz FGOMNUVYTQYXFT-HZPDHXFCSA-N 0 3 324.424 3.103 20 30 DGEDHN Cc1sc(NC(=O)CN(C)[C@@H](C)C2CCC2)c(C#N)c1C ZINC000357029042 433831577 /nfs/dbraw/zinc/83/15/77/433831577.db2.gz VPIUYPFBISNUJM-NSHDSACASA-N 0 3 305.447 3.296 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)c1ccccc1CN(C)C ZINC000362771996 433855059 /nfs/dbraw/zinc/85/50/59/433855059.db2.gz DAWWWTYQWQEGID-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C#N)cccc1C#N ZINC000302906935 433903771 /nfs/dbraw/zinc/90/37/71/433903771.db2.gz XIBJHOVFECFOER-KXBFYZLASA-N 0 3 316.408 3.362 20 30 DGEDHN N#Cc1cccc(C#N)c1NCCCN1CCc2ccccc2C1 ZINC000302858576 433884954 /nfs/dbraw/zinc/88/49/54/433884954.db2.gz TWAZEEBAKJINIV-UHFFFAOYSA-N 0 3 316.408 3.290 20 30 DGEDHN N#Cc1cc(CN2CCCN3c4ccccc4C[C@@H]3C2)ccc1F ZINC000377669524 433949568 /nfs/dbraw/zinc/94/95/68/433949568.db2.gz MOFWQFNZEZKZQC-GOSISDBHSA-N 0 3 321.399 3.334 20 30 DGEDHN CSc1ccc([C@@H](CNc2ccnc(C#N)c2)N(C)C)cc1 ZINC000294037651 433973135 /nfs/dbraw/zinc/97/31/35/433973135.db2.gz LNRUQGANWHRMQF-QGZVFWFLSA-N 0 3 312.442 3.390 20 30 DGEDHN CC1(C)C[C@H](CNC(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000457194356 434046638 /nfs/dbraw/zinc/04/66/38/434046638.db2.gz XHQHFNPTZMTGJL-IAGOWNOFSA-N 0 3 314.429 3.080 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000285666654 434032105 /nfs/dbraw/zinc/03/21/05/434032105.db2.gz TZHJCNHJGUYCDL-IBGZPJMESA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(c2nc3ccccc3o2)CC1 ZINC000305078892 434034104 /nfs/dbraw/zinc/03/41/04/434034104.db2.gz LWVIIDLQQVAIIM-OAHLLOKOSA-N 0 3 300.402 3.334 20 30 DGEDHN CC1(C)C[C@@H](CNC(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000457194355 434044783 /nfs/dbraw/zinc/04/47/83/434044783.db2.gz XHQHFNPTZMTGJL-DLBZAZTESA-N 0 3 314.429 3.080 20 30 DGEDHN CC1CCN([C@H](CNc2nccc(C#N)n2)c2ccccc2)CC1 ZINC000450268525 434067331 /nfs/dbraw/zinc/06/73/31/434067331.db2.gz HIJJDJKHYKUWOK-GOSISDBHSA-N 0 3 321.428 3.233 20 30 DGEDHN CN(C)[C@@H](CC(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000416249716 434070744 /nfs/dbraw/zinc/07/07/44/434070744.db2.gz YZZOOQUBTAZUKI-SFHVURJKSA-N 0 3 307.397 3.384 20 30 DGEDHN Cc1nc2ccccc2n1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353255710 434071522 /nfs/dbraw/zinc/07/15/22/434071522.db2.gz NYGUTDZDLHALQR-SFHVURJKSA-N 0 3 316.408 3.494 20 30 DGEDHN CC(C)(C)[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352837436 434054666 /nfs/dbraw/zinc/05/46/66/434054666.db2.gz AFCSVFZFRLRINU-CYBMUJFWSA-N 0 3 300.324 3.074 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285761538 434058806 /nfs/dbraw/zinc/05/88/06/434058806.db2.gz ZKCBKCOGFPMBJP-IUODEOHRSA-N 0 3 312.335 3.399 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccnc(N3CCCC3)c1)CC2 ZINC000353391421 434104719 /nfs/dbraw/zinc/10/47/19/434104719.db2.gz XHLWOBFLONMQRW-IBGZPJMESA-N 0 3 318.424 3.331 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294517815 434121220 /nfs/dbraw/zinc/12/12/20/434121220.db2.gz SBMWHQVINQXXGZ-INIZCTEOSA-N 0 3 306.475 3.484 20 30 DGEDHN C=CCC[C@H](NCCNC(=O)c1ccccc1F)c1ccco1 ZINC000285969216 434125067 /nfs/dbraw/zinc/12/50/67/434125067.db2.gz HAPVWPWPOFRVTN-INIZCTEOSA-N 0 3 316.376 3.446 20 30 DGEDHN COc1ccc(CN2CCCCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000286049427 434148098 /nfs/dbraw/zinc/14/80/98/434148098.db2.gz RAWJFHJWGWBQIE-WMLDXEAASA-N 0 3 302.418 3.082 20 30 DGEDHN N#Cc1sc(N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)nc1Cl ZINC000286063491 434152646 /nfs/dbraw/zinc/15/26/46/434152646.db2.gz BTGVYCLIAXGIQJ-CMPLNLGQSA-N 0 3 322.865 3.121 20 30 DGEDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000286073339 434154772 /nfs/dbraw/zinc/15/47/72/434154772.db2.gz JUBICWFFZRIDOZ-APHBMKBZSA-N 0 3 317.458 3.149 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1Cc2ccccc2C[C@@H]1C ZINC000357798134 434184373 /nfs/dbraw/zinc/18/43/73/434184373.db2.gz GXLUYGUBDZULTN-HNNXBMFYSA-N 0 3 322.408 3.392 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOCC(F)(F)C(F)F)CC2 ZINC000353596211 434258836 /nfs/dbraw/zinc/25/88/36/434258836.db2.gz MPMGUJPARPSFGD-ZDUSSCGKSA-N 0 3 316.298 3.052 20 30 DGEDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000379673653 434258723 /nfs/dbraw/zinc/25/87/23/434258723.db2.gz RHKYQQONFXESTJ-HNAYVOBHSA-N 0 3 320.440 3.727 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000364358700 434270422 /nfs/dbraw/zinc/27/04/22/434270422.db2.gz XVIOOXDEXQGLGG-INIZCTEOSA-N 0 3 305.466 3.183 20 30 DGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381336524 434270533 /nfs/dbraw/zinc/27/05/33/434270533.db2.gz DBZZKIWGAFXZIR-GHMZBOCLSA-N 0 3 309.435 3.011 20 30 DGEDHN C=CCN(C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000357889182 434232442 /nfs/dbraw/zinc/23/24/42/434232442.db2.gz YMVFIKLWOSDIBL-WBVHZDCISA-N 0 3 313.445 3.009 20 30 DGEDHN CNC(=O)CC[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000286628161 434283337 /nfs/dbraw/zinc/28/33/37/434283337.db2.gz YDZPIFTYTHNGRI-KRWDZBQOSA-N 0 3 318.848 3.072 20 30 DGEDHN CN1CCN(Cc2cc(C#N)ccc2F)C2(CCCCC2)C1 ZINC000348327202 434288280 /nfs/dbraw/zinc/28/82/80/434288280.db2.gz WRPYQTPNCAFXPA-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCC2CC2)CC1 ZINC000348311674 434289890 /nfs/dbraw/zinc/28/98/90/434289890.db2.gz DLDOCMFPPKSHKI-KRWDZBQOSA-N 0 3 303.837 3.322 20 30 DGEDHN C[C@@H](NCCCSCC#N)c1cnn(Cc2ccccc2)c1 ZINC000348339299 434292670 /nfs/dbraw/zinc/29/26/70/434292670.db2.gz GTDHAUDABNKPAD-OAHLLOKOSA-N 0 3 314.458 3.229 20 30 DGEDHN COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)ccc1C#N ZINC000353640026 434295010 /nfs/dbraw/zinc/29/50/10/434295010.db2.gz FWANMXKYQXJFGW-DLBZAZTESA-N 0 3 302.418 3.249 20 30 DGEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000286884096 434296689 /nfs/dbraw/zinc/29/66/89/434296689.db2.gz DRCYMDYXLLDSTE-STQMWFEESA-N 0 3 320.462 3.152 20 30 DGEDHN C=CCCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000286983224 434302476 /nfs/dbraw/zinc/30/24/76/434302476.db2.gz JMYSBLYWHRRNNW-SFHVURJKSA-N 0 3 309.413 3.493 20 30 DGEDHN C[C@H](CCC(C)(C)C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000386102729 434305017 /nfs/dbraw/zinc/30/50/17/434305017.db2.gz ILCNXKJPGWQIAK-CQSZACIVSA-N 0 3 322.474 3.136 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000365832401 434313840 /nfs/dbraw/zinc/31/38/40/434313840.db2.gz WZXLVUZZTJZCIU-QGZVFWFLSA-N 0 3 310.401 3.013 20 30 DGEDHN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000328865540 434321624 /nfs/dbraw/zinc/32/16/24/434321624.db2.gz NHYFHCZSCIHRAO-HNNXBMFYSA-N 0 3 324.428 3.235 20 30 DGEDHN O=C(Nc1ccccc1[O-])C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000328886609 434324225 /nfs/dbraw/zinc/32/42/25/434324225.db2.gz OBFOIHIQPDSEJL-AWEZNQCLSA-N 0 3 318.417 3.119 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1F ZINC000328908760 434325204 /nfs/dbraw/zinc/32/52/04/434325204.db2.gz MINGFGNSHFCAOJ-WMLDXEAASA-N 0 3 319.380 3.209 20 30 DGEDHN C=CCSCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000417341867 434363524 /nfs/dbraw/zinc/36/35/24/434363524.db2.gz LWJNWRLKVXZTNT-MRXNPFEDSA-N 0 3 321.490 3.028 20 30 DGEDHN C=CCOCCN[C@H]1CCc2sc(Br)cc21 ZINC000390637661 434365281 /nfs/dbraw/zinc/36/52/81/434365281.db2.gz JYBFMXLDWUITKQ-JTQLQIEISA-N 0 3 302.237 3.290 20 30 DGEDHN CN1CCC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000329151409 434365497 /nfs/dbraw/zinc/36/54/97/434365497.db2.gz AXAZEAOZDHUJRS-ARFHVFGLSA-N 0 3 308.466 3.006 20 30 DGEDHN C=CCN(CC=C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295451520 434367928 /nfs/dbraw/zinc/36/79/28/434367928.db2.gz HCEVIGGZWVYMAK-UHFFFAOYSA-N 0 3 300.446 3.476 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000329178942 434368871 /nfs/dbraw/zinc/36/88/71/434368871.db2.gz CVTDNISFTUXVAQ-QWHCGFSZSA-N 0 3 323.462 3.174 20 30 DGEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cncn1-c1ccccc1 ZINC000329170594 434369108 /nfs/dbraw/zinc/36/91/08/434369108.db2.gz KBZOXKJKSXRJLH-OAHLLOKOSA-N 0 3 324.428 3.194 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295501880 434388129 /nfs/dbraw/zinc/38/81/29/434388129.db2.gz HJYDRWHYTOAOMV-ZBFHGGJFSA-N 0 3 313.445 3.233 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H]1Cc1ccccc1 ZINC000437825948 434342455 /nfs/dbraw/zinc/34/24/55/434342455.db2.gz VUNLPDQZGYMUIA-GOSISDBHSA-N 0 3 322.408 3.263 20 30 DGEDHN CN1CCC(CCO)(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000329100226 434360246 /nfs/dbraw/zinc/36/02/46/434360246.db2.gz MMHUTAPJQSFBNB-GVDBMIGSSA-N 0 3 322.493 3.396 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000366529897 434443408 /nfs/dbraw/zinc/44/34/08/434443408.db2.gz NPIOLZINSMFMNW-MAUKXSAKSA-N 0 3 314.429 3.226 20 30 DGEDHN CCO[C@H](C)c1ncc(C(=O)N[C@H](C)C2=CCN(C)CC2)s1 ZINC000329318862 434395632 /nfs/dbraw/zinc/39/56/32/434395632.db2.gz IJBBUFIPHBOCOS-VXGBXAGGSA-N 0 3 323.462 3.196 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)c1cccc(C#N)c1 ZINC000359851168 434447772 /nfs/dbraw/zinc/44/77/72/434447772.db2.gz WOXGSNZJSCRDRO-BEFAXECRSA-N 0 3 321.424 3.081 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCOCC3(CCC3)C2)c1 ZINC000329493921 434422383 /nfs/dbraw/zinc/42/23/83/434422383.db2.gz FDENBGLURNEYMG-UHFFFAOYSA-N 0 3 313.401 3.039 20 30 DGEDHN C[C@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000423444487 434428465 /nfs/dbraw/zinc/42/84/65/434428465.db2.gz XQZZFOVDHFTJJZ-DJJJIMSYSA-N 0 3 309.388 3.235 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450852777 434441146 /nfs/dbraw/zinc/44/11/46/434441146.db2.gz DKSGXYKNTBIXRG-NXHRZFHOSA-N 0 3 312.413 3.004 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000360015621 434478880 /nfs/dbraw/zinc/47/88/80/434478880.db2.gz KCCDLCXBRYMBQD-JYJNAYRXSA-N 0 3 313.445 3.041 20 30 DGEDHN CC[C@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000438507331 434496030 /nfs/dbraw/zinc/49/60/30/434496030.db2.gz JJYPYXMNPYKDKS-NDUQDZPOSA-N 0 3 305.466 3.038 20 30 DGEDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359858683 434449785 /nfs/dbraw/zinc/44/97/85/434449785.db2.gz HVZDBMCUIHBKKT-OAHLLOKOSA-N 0 3 321.424 3.354 20 30 DGEDHN C[C@@H]1C[C@H](Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000287793805 434452702 /nfs/dbraw/zinc/45/27/02/434452702.db2.gz JHSDOWNHPURZNY-CRAIPNDOSA-N 0 3 306.413 3.418 20 30 DGEDHN Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000458196073 434521677 /nfs/dbraw/zinc/52/16/77/434521677.db2.gz IEKOCVAJFCKNRS-UHFFFAOYSA-N 0 3 323.396 3.059 20 30 DGEDHN Cc1cc(CN(CCN(C)C)Cc2ccccc2)ccc1C#N ZINC000348931751 434558095 /nfs/dbraw/zinc/55/80/95/434558095.db2.gz BPLFBMCMLROHAR-UHFFFAOYSA-N 0 3 307.441 3.431 20 30 DGEDHN N#CCOc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC000369035079 434587924 /nfs/dbraw/zinc/58/79/24/434587924.db2.gz CSDPRYSPPTYBOQ-UHFFFAOYSA-N 0 3 324.409 3.330 20 30 DGEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]1c1cccs1 ZINC000329542482 295384234 /nfs/dbraw/zinc/38/42/34/295384234.db2.gz DWRSZTRYQJXYHP-BXUZGUMPSA-N 0 3 316.430 3.080 20 30 DGEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]1c1cccs1 ZINC000329542482 295384235 /nfs/dbraw/zinc/38/42/35/295384235.db2.gz DWRSZTRYQJXYHP-BXUZGUMPSA-N 0 3 316.430 3.080 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000424073649 434614854 /nfs/dbraw/zinc/61/48/54/434614854.db2.gz FTCVMUYVTXFGKV-LLVKDONJSA-N 0 3 319.714 3.318 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000424075535 434615423 /nfs/dbraw/zinc/61/54/23/434615423.db2.gz JMLWVLSNMSTHOO-GOSISDBHSA-N 0 3 305.381 3.217 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000424073650 434616004 /nfs/dbraw/zinc/61/60/04/434616004.db2.gz FTCVMUYVTXFGKV-NSHDSACASA-N 0 3 319.714 3.318 20 30 DGEDHN C#CCCCCC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000370589881 434616051 /nfs/dbraw/zinc/61/60/51/434616051.db2.gz TXGDCILRJGAIFR-FQEVSTJZSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCOc1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1 ZINC000370580250 434616878 /nfs/dbraw/zinc/61/68/78/434616878.db2.gz SAQUJAKJQHINMC-UHFFFAOYSA-N 0 3 320.396 3.326 20 30 DGEDHN CCCN(C(=O)[C@@H](N)CCCC#N)[C@H](CC)c1ccccc1 ZINC000424084156 434617233 /nfs/dbraw/zinc/61/72/33/434617233.db2.gz DOAVDXYYHGVTAA-DLBZAZTESA-N 0 3 301.434 3.397 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000424085173 434617319 /nfs/dbraw/zinc/61/73/19/434617319.db2.gz FOCAFNCWWMJRQH-LSDHHAIUSA-N 0 3 305.809 3.025 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NC2(CN(C)C)CCC2)c1 ZINC000439490928 434617935 /nfs/dbraw/zinc/61/79/35/434617935.db2.gz JXWHSTIFAPNUIB-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424093373 434620255 /nfs/dbraw/zinc/62/02/55/434620255.db2.gz ROVKJECQASHYMX-CVEARBPZSA-N 0 3 301.434 3.301 20 30 DGEDHN C=CC[C@H](CC)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000439581668 434625692 /nfs/dbraw/zinc/62/56/92/434625692.db2.gz PDTOGFIRDMMPEY-HNNXBMFYSA-N 0 3 319.449 3.412 20 30 DGEDHN Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424121051 434627940 /nfs/dbraw/zinc/62/79/40/434627940.db2.gz HXJHJALPMYSEPL-ROUUACIJSA-N 0 3 313.445 3.460 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000424118088 434628240 /nfs/dbraw/zinc/62/82/40/434628240.db2.gz ZYADSEGEUFRTFI-OAHLLOKOSA-N 0 3 319.836 3.247 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000424128887 434631528 /nfs/dbraw/zinc/63/15/28/434631528.db2.gz ROZOPWPIDGNQLC-IBGZPJMESA-N 0 3 321.424 3.033 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc2ccccc2s1 ZINC000424142544 434632801 /nfs/dbraw/zinc/63/28/01/434632801.db2.gz PWIHVWJNVWOKKC-AAEUAGOBSA-N 0 3 301.415 3.100 20 30 DGEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424134162 434634218 /nfs/dbraw/zinc/63/42/18/434634218.db2.gz YAWLZDHKZMDODT-KSZLIROESA-N 0 3 313.445 3.111 20 30 DGEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1nc2c(s1)CCC2 ZINC000459634162 434642023 /nfs/dbraw/zinc/64/20/23/434642023.db2.gz QIJDGRCVEXVVCE-CYBMUJFWSA-N 0 3 319.474 3.383 20 30 DGEDHN C=CCN1CC[C@H](N(CCc2ccccc2)C2CCCC2)C1=O ZINC000410336214 434642565 /nfs/dbraw/zinc/64/25/65/434642565.db2.gz DQYWAFMPJZNYAI-IBGZPJMESA-N 0 3 312.457 3.261 20 30 DGEDHN C[C@H]1CCCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000360594554 434643223 /nfs/dbraw/zinc/64/32/23/434643223.db2.gz AZOYHNGCAUYTOR-YJBOKZPZSA-N 0 3 311.429 3.176 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@@](C)(CCc3ccccc3)C2)C1=O ZINC000410407323 434643647 /nfs/dbraw/zinc/64/36/47/434643647.db2.gz ORMOKRHJHMOBMM-AZUAARDMSA-N 0 3 312.457 3.118 20 30 DGEDHN CN(C)CCN(Cc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000349074377 434598865 /nfs/dbraw/zinc/59/88/65/434598865.db2.gz MPICJQSRSDZJKM-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@@H]2SC)cc1 ZINC000459536789 434601038 /nfs/dbraw/zinc/60/10/38/434601038.db2.gz BXFXYPOTCHTCPG-IXDOHACOSA-N 0 3 307.459 3.250 20 30 DGEDHN CCC(CC)(CC(=O)OC)NCc1ccc(C#N)cc1Cl ZINC000439446081 434603373 /nfs/dbraw/zinc/60/33/73/434603373.db2.gz PXSFZRXAGGXDER-UHFFFAOYSA-N 0 3 308.809 3.423 20 30 DGEDHN Cc1nc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)cs1 ZINC000424065469 434611620 /nfs/dbraw/zinc/61/16/20/434611620.db2.gz LVQFJCLMYRYBTD-AWEZNQCLSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1nc(-c2ccccc2)sc1NC(=O)[C@H](N)CCCC#N ZINC000424174741 434646255 /nfs/dbraw/zinc/64/62/55/434646255.db2.gz PLWONRHSDNMCAS-CYBMUJFWSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424180450 434649710 /nfs/dbraw/zinc/64/97/10/434649710.db2.gz OIYZHOQAKIPIGK-SJORKVTESA-N 0 3 301.434 3.172 20 30 DGEDHN COc1c(Br)cccc1CNCC(C)(C)CC#N ZINC000459683408 434662522 /nfs/dbraw/zinc/66/25/22/434662522.db2.gz AYEXNPAILQHFAT-UHFFFAOYSA-N 0 3 311.223 3.487 20 30 DGEDHN C=C(C)COc1cc(CN[C@H]2CCO[C@H]2C2CC2)ccc1OC ZINC000371343686 434673432 /nfs/dbraw/zinc/67/34/32/434673432.db2.gz HNNDPBKZYBILCP-LPHOPBHVSA-N 0 3 317.429 3.307 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000424292775 434680517 /nfs/dbraw/zinc/68/05/17/434680517.db2.gz HHIMMDZUOGYUCG-GUBZILKMSA-N 0 3 306.353 3.404 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)Cc2cccc(C(F)(F)F)c2)nn1 ZINC000424297364 434682389 /nfs/dbraw/zinc/68/23/89/434682389.db2.gz QOUJFWFUYWKBBH-LBPRGKRZSA-N 0 3 324.350 3.204 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OC)C23CCC3)cc1OC ZINC000459734390 434682668 /nfs/dbraw/zinc/68/26/68/434682668.db2.gz HBRWWZOWKSAFEA-QZTJIDSGSA-N 0 3 317.429 3.307 20 30 DGEDHN C=C(C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000452718745 434690519 /nfs/dbraw/zinc/69/05/19/434690519.db2.gz QUNIWORHZMYNDW-MRXNPFEDSA-N 0 3 322.399 3.226 20 30 DGEDHN COc1cc(CN[C@@H]2CCCN(c3ccccc3)C2)ccc1C#N ZINC000440821667 434746244 /nfs/dbraw/zinc/74/62/44/434746244.db2.gz BBMVXIXLIOBCNA-GOSISDBHSA-N 0 3 321.424 3.325 20 30 DGEDHN CO[C@@H](CC(C)C)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000419218598 434751772 /nfs/dbraw/zinc/75/17/72/434751772.db2.gz SHZPYJVOOLRMLB-IBGZPJMESA-N 0 3 316.445 3.463 20 30 DGEDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000424335584 434702296 /nfs/dbraw/zinc/70/22/96/434702296.db2.gz XAZKVOBTABZAIN-SGMGOOAPSA-N 0 3 303.362 3.336 20 30 DGEDHN CC(C)c1ncc(CN(C)CCCC2(C#N)CCOCC2)cn1 ZINC000440476512 434705855 /nfs/dbraw/zinc/70/58/55/434705855.db2.gz WFCPPKCPLPHQKH-UHFFFAOYSA-N 0 3 316.449 3.132 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000459785964 434719303 /nfs/dbraw/zinc/71/93/03/434719303.db2.gz AWXNBMBNLORNOJ-GFCCVEGCSA-N 0 3 306.381 3.107 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000452798899 434719501 /nfs/dbraw/zinc/71/95/01/434719501.db2.gz XNTQBUUNSURPFB-MAUKXSAKSA-N 0 3 320.392 3.268 20 30 DGEDHN CCn1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1=O ZINC000360881995 434719541 /nfs/dbraw/zinc/71/95/41/434719541.db2.gz BLDOFLPEPDUQRC-IBGZPJMESA-N 0 3 321.424 3.297 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C ZINC000459788348 434722778 /nfs/dbraw/zinc/72/27/78/434722778.db2.gz CZOVIVVEWBLNQK-LBPRGKRZSA-N 0 3 306.381 3.107 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000459797727 434723842 /nfs/dbraw/zinc/72/38/42/434723842.db2.gz SZGXYLACUGMXOB-FUHWJXTLSA-N 0 3 302.393 3.070 20 30 DGEDHN C[C@H]1CN(C2CCN(CCC3(C#N)CCCCC3)CC2)CCO1 ZINC000411193124 434741458 /nfs/dbraw/zinc/74/14/58/434741458.db2.gz SBJRGKJPHNYSPZ-KRWDZBQOSA-N 0 3 319.493 3.036 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000411345495 434766245 /nfs/dbraw/zinc/76/62/45/434766245.db2.gz YSDXLXJNUBNDPQ-CHWSQXEVSA-N 0 3 320.824 3.078 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419365285 434778890 /nfs/dbraw/zinc/77/88/90/434778890.db2.gz XRDNVANADZXHJH-LIRRHRJNSA-N 0 3 313.445 3.269 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000372002128 434783901 /nfs/dbraw/zinc/78/39/01/434783901.db2.gz DBSIIXYTRIGBEY-FUHWJXTLSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCCC1(C)C ZINC000445123936 434789476 /nfs/dbraw/zinc/78/94/76/434789476.db2.gz XADLSJZIPZVOOI-ZOBUZTSGSA-N 0 3 319.493 3.388 20 30 DGEDHN C=CC[C@H]1N(CC(=O)NC(C2CC2)C2CC2)CCCC1(C)C ZINC000444792225 434791464 /nfs/dbraw/zinc/79/14/64/434791464.db2.gz OPYCFAKLLZSHJP-MRXNPFEDSA-N 0 3 304.478 3.358 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053521 434862217 /nfs/dbraw/zinc/86/22/17/434862217.db2.gz FMGSVFHRPSICBO-CRAIPNDOSA-N 0 3 311.429 3.096 20 30 DGEDHN C[C@@H](CCC#N)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000411639244 434812166 /nfs/dbraw/zinc/81/21/66/434812166.db2.gz VLZHOUKTVBMGGK-JCKWVBRZSA-N 0 3 314.433 3.068 20 30 DGEDHN N#CCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000411829435 434832501 /nfs/dbraw/zinc/83/25/01/434832501.db2.gz XIKLEKCNKVPLIU-VQTJNVASSA-N 0 3 323.415 3.297 20 30 DGEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)Nc1cccc(C#N)c1 ZINC000445892728 434834956 /nfs/dbraw/zinc/83/49/56/434834956.db2.gz DUGICTAFJVPNBG-ZDUSSCGKSA-N 0 3 313.323 3.063 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCSC2(CCC2)CC1 ZINC000411872346 434838657 /nfs/dbraw/zinc/83/86/57/434838657.db2.gz VHIMZYKZDUWJGV-UHFFFAOYSA-N 0 3 302.443 3.428 20 30 DGEDHN COC1([C@H](C)NCc2ccc(C#N)cc2Br)CCC1 ZINC000412017546 434855043 /nfs/dbraw/zinc/85/50/43/434855043.db2.gz ABRVEFIUHDHXHC-NSHDSACASA-N 0 3 323.234 3.368 20 30 DGEDHN CCC[C@@H]1CN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000553184949 434882140 /nfs/dbraw/zinc/88/21/40/434882140.db2.gz NLWOPBGJJHXVIN-LJQANCHMSA-N 0 3 320.440 3.444 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000553391052 434891188 /nfs/dbraw/zinc/89/11/88/434891188.db2.gz NMIPQOZODZJDEX-UHFFFAOYSA-N 0 3 319.836 3.160 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000573376152 434893275 /nfs/dbraw/zinc/89/32/75/434893275.db2.gz IZRJVOYGTUNRJV-DOTOQJQBSA-N 0 3 304.390 3.134 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCN(C)C2(CCCCC2)C1 ZINC000573980412 434941307 /nfs/dbraw/zinc/94/13/07/434941307.db2.gz WFZNEIJIMVOFAD-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN N#CC(C(=O)c1cccc(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000574051973 434947132 /nfs/dbraw/zinc/94/71/32/434947132.db2.gz QBPDGIHZOPCSNK-MRXNPFEDSA-N 0 3 320.396 3.372 20 30 DGEDHN COc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000555294846 434967644 /nfs/dbraw/zinc/96/76/44/434967644.db2.gz HBFUOJYNWPVHKT-YPMHNXCESA-N 0 3 310.344 3.421 20 30 DGEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(OC)c2)C2CC2)cn1 ZINC000527841026 435015612 /nfs/dbraw/zinc/01/56/12/435015612.db2.gz MEJWOTRPIRPYAZ-IBGZPJMESA-N 0 3 323.396 3.211 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000528146394 435021147 /nfs/dbraw/zinc/02/11/47/435021147.db2.gz KZEKRLXHSMNPRH-DOTOQJQBSA-N 0 3 313.445 3.268 20 30 DGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000556760111 435023637 /nfs/dbraw/zinc/02/36/37/435023637.db2.gz RWOOWEIADGHYAF-RBUKOAKNSA-N 0 3 312.461 3.176 20 30 DGEDHN CC(C)C[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000555553916 434978821 /nfs/dbraw/zinc/97/88/21/434978821.db2.gz MVVDNQVBQYNWMC-SFHVURJKSA-N 0 3 319.412 3.478 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1Cc1ccccc1C ZINC000524483207 434979237 /nfs/dbraw/zinc/97/92/37/434979237.db2.gz IYEBQXCDZFDCLY-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000525635018 435006895 /nfs/dbraw/zinc/00/68/95/435006895.db2.gz DWKSOOOMQXZQHZ-MJGOQNOKSA-N 0 3 312.457 3.140 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CCc2ccccc2)CC1 ZINC000526942179 435009694 /nfs/dbraw/zinc/00/96/94/435009694.db2.gz KQYKYZRZXSRAES-GOSISDBHSA-N 0 3 319.452 3.480 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000466367777 435073414 /nfs/dbraw/zinc/07/34/14/435073414.db2.gz ZKLHYRRRBHJZQF-CGZBRXJRSA-N 0 3 307.482 3.247 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CNCc2ccc(C#N)cc2)c1C ZINC000578618486 435096058 /nfs/dbraw/zinc/09/60/58/435096058.db2.gz BHVSWXHIODJLQZ-LJQANCHMSA-N 0 3 324.424 3.013 20 30 DGEDHN CC(C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CC1 ZINC000532665698 435185780 /nfs/dbraw/zinc/18/57/80/435185780.db2.gz SLLPCYBTEAVHAC-UHFFFAOYSA-N 0 3 305.809 3.271 20 30 DGEDHN CN(C)[C@@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1 ZINC000579930075 435193983 /nfs/dbraw/zinc/19/39/83/435193983.db2.gz QAQLRWFOUDHZFE-SFHVURJKSA-N 0 3 307.397 3.214 20 30 DGEDHN CC1(C)CC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000580090737 435206215 /nfs/dbraw/zinc/20/62/15/435206215.db2.gz HKBBYMRKMJOCFX-HNNXBMFYSA-N 0 3 319.836 3.365 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000495796717 435206507 /nfs/dbraw/zinc/20/65/07/435206507.db2.gz XVPCWFHZLYLTNO-MPGHIAIKSA-N 0 3 319.449 3.012 20 30 DGEDHN CC(C)N(CCC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000582407151 435238910 /nfs/dbraw/zinc/23/89/10/435238910.db2.gz IWZYKHAYNADMHW-UHFFFAOYSA-N 0 3 313.445 3.437 20 30 DGEDHN CN(CC1CCN([C@@H]2CC[C@H](C#N)C2)CC1)C(=O)OC(C)(C)C ZINC000496684638 435240992 /nfs/dbraw/zinc/24/09/92/435240992.db2.gz LBZCWYTWLWTFAL-JKSUJKDBSA-N 0 3 321.465 3.258 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000496749537 435251061 /nfs/dbraw/zinc/25/10/61/435251061.db2.gz BXSADLKHPPRYIF-ZIAGYGMSSA-N 0 3 307.438 3.106 20 30 DGEDHN C[C@H]1COCCN1C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000563362961 435266114 /nfs/dbraw/zinc/26/61/14/435266114.db2.gz GSEYJFQEJNBQKT-KRWDZBQOSA-N 0 3 319.493 3.036 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000496879161 435266254 /nfs/dbraw/zinc/26/62/54/435266254.db2.gz BILCSDQCVLEJKC-MAUKXSAKSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCCN[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497015217 435284631 /nfs/dbraw/zinc/28/46/31/435284631.db2.gz IXXHODRUIGHHMB-ZDUSSCGKSA-N 0 3 305.422 3.467 20 30 DGEDHN C=C(C)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000497059009 435292301 /nfs/dbraw/zinc/29/23/01/435292301.db2.gz ZALRBNYBLJBDHV-KRWDZBQOSA-N 0 3 302.418 3.201 20 30 DGEDHN Cc1nc(N[C@@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000589862911 435296479 /nfs/dbraw/zinc/29/64/79/435296479.db2.gz MOOFUADZUXATSE-IBGZPJMESA-N 0 3 320.440 3.901 20 30 DGEDHN C[C@@H]1[C@H](C)N(C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000536697735 435403902 /nfs/dbraw/zinc/40/39/02/435403902.db2.gz GIADHLROBKDWEL-UONOGXRCSA-N 0 3 310.363 3.081 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000568517149 435445487 /nfs/dbraw/zinc/44/54/87/435445487.db2.gz ZXTZYNXOPVJSCC-WBMJQRKESA-N 0 3 323.352 3.121 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3ccc(C)cc3)CCC2)CC1 ZINC000644627575 435472104 /nfs/dbraw/zinc/47/21/04/435472104.db2.gz LVGIECGBKLJKJA-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN C[C@@H]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000482704733 435478086 /nfs/dbraw/zinc/47/80/86/435478086.db2.gz JQTMNZXLNNLKAM-OHDICMOHSA-N 0 3 323.440 3.429 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000483250800 435506897 /nfs/dbraw/zinc/50/68/97/435506897.db2.gz BPSOCSMXUYNCAB-XHSDSOJGSA-N 0 3 307.482 3.008 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N[C@H]3C[C@@H](C)N(C4CC4)C3)c2c1 ZINC000569297599 435521556 /nfs/dbraw/zinc/52/15/56/435521556.db2.gz URTRBEQHDSBNAS-ZBFHGGJFSA-N 0 3 320.440 3.182 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H]3CN(C)C[C@@H]32)cc1Cl ZINC000644841823 435527274 /nfs/dbraw/zinc/52/72/74/435527274.db2.gz SBBAIBZCCMJGFN-HOCLYGCPSA-N 0 3 306.837 3.041 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NCCN(CC)C1CC1 ZINC000483697878 435528740 /nfs/dbraw/zinc/52/87/40/435528740.db2.gz NGNKJOGPRDJBRC-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000483880934 435533312 /nfs/dbraw/zinc/53/33/12/435533312.db2.gz CRGCUAVMXRPUOM-KRWDZBQOSA-N 0 3 321.509 3.496 20 30 DGEDHN C=C[C@@H](CC(=O)N(CCC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000648999024 435482554 /nfs/dbraw/zinc/48/25/54/435482554.db2.gz XKEYDZXINROQTK-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN CN(C(=O)CN1CCC[C@@H]1C1CCCC1)C1(C#N)CCCCC1 ZINC000515510476 435488003 /nfs/dbraw/zinc/48/80/03/435488003.db2.gz MGWSDYUAMRMWSL-QGZVFWFLSA-N 0 3 317.477 3.326 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000569010043 435495783 /nfs/dbraw/zinc/49/57/83/435495783.db2.gz GKSXMSNABJIOFG-KRWDZBQOSA-N 0 3 300.446 3.370 20 30 DGEDHN CC1(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000516946208 435563978 /nfs/dbraw/zinc/56/39/78/435563978.db2.gz CVQYFCLDMYOOLF-UHFFFAOYSA-N 0 3 306.413 3.029 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(C(C)C)c1 ZINC000570017982 435580333 /nfs/dbraw/zinc/58/03/33/435580333.db2.gz WDWKTJNCEWBMTC-SJORKVTESA-N 0 3 302.418 3.072 20 30 DGEDHN COc1ccc2c(c1)OC[C@H](N[C@H]1CCc3ccc(C#N)cc31)C2 ZINC000570439277 435619297 /nfs/dbraw/zinc/61/92/97/435619297.db2.gz PPXYAVXCVWLGKT-APWZRJJASA-N 0 3 320.392 3.147 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540881925 435622963 /nfs/dbraw/zinc/62/29/63/435622963.db2.gz PECHCRKYUIQFBI-OAHLLOKOSA-N 0 3 319.836 3.206 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000570507520 435626320 /nfs/dbraw/zinc/62/63/20/435626320.db2.gz BOEFQBDWNQTYAK-RHSMWYFYSA-N 0 3 308.853 3.178 20 30 DGEDHN Cc1nc(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488099322 435634721 /nfs/dbraw/zinc/63/47/21/435634721.db2.gz KKUDCAFOFUXBNW-HOTGVXAUSA-N 0 3 320.440 3.361 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2C2CCC2)CC1 ZINC000645264314 435606309 /nfs/dbraw/zinc/60/63/09/435606309.db2.gz DACJEHVGNWTCCC-GOSISDBHSA-N 0 3 319.493 3.391 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C#N ZINC000488736652 435643430 /nfs/dbraw/zinc/64/34/30/435643430.db2.gz VKVCWQNGBIHJQK-MQIPJXDCSA-N 0 3 318.852 3.082 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C2CC2)C1)C(C)C ZINC000489842119 435651429 /nfs/dbraw/zinc/65/14/29/435651429.db2.gz NAZRGNNPGQSIFT-QZTJIDSGSA-N 0 3 319.493 3.127 20 30 DGEDHN CCOC(=O)CC(C)(C)N(C)CC#Cc1ccccc1Cl ZINC000490648972 435669164 /nfs/dbraw/zinc/66/91/64/435669164.db2.gz HLXOBGAWHXYGIK-UHFFFAOYSA-N 0 3 307.821 3.355 20 30 DGEDHN C[C@H]1CC[C@@H](NCC2(CC#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496105335 300041857 /nfs/dbraw/zinc/04/18/57/300041857.db2.gz KXJXNURBVIJQFU-UONOGXRCSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cn1 ZINC000571654785 435725559 /nfs/dbraw/zinc/72/55/59/435725559.db2.gz WKPDRNNLZYJYFX-UHFFFAOYSA-N 0 3 304.397 3.483 20 30 DGEDHN C=CCN(CC=C)[C@H](CNCc1cc2n(n1)CCCC2)C(C)C ZINC000655714425 435744406 /nfs/dbraw/zinc/74/44/06/435744406.db2.gz CSXQVYCSSMPPQP-LJQANCHMSA-N 0 3 316.493 3.008 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917433 435753863 /nfs/dbraw/zinc/75/38/63/435753863.db2.gz NDCBFGVLODKLMV-XWSJACJDSA-N 0 3 301.430 3.308 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@]2(C)Cc2cccc(F)c2)C1=O ZINC000571556218 435717258 /nfs/dbraw/zinc/71/72/58/435717258.db2.gz LOMWAJXXAJZGKM-MJGOQNOKSA-N 0 3 316.420 3.010 20 30 DGEDHN C#C[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000491725669 435799011 /nfs/dbraw/zinc/79/90/11/435799011.db2.gz IIOBDBRZTZPDJP-HXUWFJFHSA-N 0 3 323.415 3.149 20 30 DGEDHN C=CC[C@@H]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000651708162 435799957 /nfs/dbraw/zinc/79/99/57/435799957.db2.gz HOFALQUCHXXTIS-YCPHGPKFSA-N 0 3 302.393 3.265 20 30 DGEDHN C[C@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCCOC1 ZINC000491800451 435813797 /nfs/dbraw/zinc/81/37/97/435813797.db2.gz BVPHRUSZVWKOOH-WCQYABFASA-N 0 3 323.234 3.225 20 30 DGEDHN CC(C)[C@H](NCC#Cc1ccc(F)cc1)C1(CO)CC=CC1 ZINC000646084541 435775536 /nfs/dbraw/zinc/77/55/36/435775536.db2.gz OBMLZFWGOYIUQT-SFHVURJKSA-N 0 3 301.405 3.120 20 30 DGEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655760402 435779552 /nfs/dbraw/zinc/77/95/52/435779552.db2.gz POJZDOTXQURJPC-HNNXBMFYSA-N 0 3 302.443 3.454 20 30 DGEDHN C#C[C@H](NC(=N)Nc1ccccn1)c1ccc(Cl)cc1F ZINC000491631335 435782248 /nfs/dbraw/zinc/78/22/48/435782248.db2.gz NTYYVONEOFPPCE-ZDUSSCGKSA-N 0 3 302.740 3.185 20 30 DGEDHN C=CC[C@@H]1CC[C@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000651815365 435836724 /nfs/dbraw/zinc/83/67/24/435836724.db2.gz MZDXTOLZCHMWMS-AYOQOUSVSA-N 0 3 300.446 3.410 20 30 DGEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000641939518 435847079 /nfs/dbraw/zinc/84/70/79/435847079.db2.gz DRQXPSIZVIAJJN-LBPRGKRZSA-N 0 3 316.228 3.407 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CCCC[C@H]1CC ZINC000660660971 435848544 /nfs/dbraw/zinc/84/85/44/435848544.db2.gz YACLVANRFLHLSH-ZACQAIPSSA-N 0 3 305.466 3.144 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CC=C)CC1 ZINC000660707444 435866111 /nfs/dbraw/zinc/86/61/11/435866111.db2.gz PAXFBXKRDFZZGZ-DOTOQJQBSA-N 0 3 305.466 3.071 20 30 DGEDHN C=C(C)CCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000656155736 435904063 /nfs/dbraw/zinc/90/40/63/435904063.db2.gz ZPTIPHAOCBPUCN-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCCC1 ZINC000665588441 436012049 /nfs/dbraw/zinc/01/20/49/436012049.db2.gz ULLGWVRBJNNUKB-KRWDZBQOSA-N 0 3 317.477 3.169 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000661377295 436049532 /nfs/dbraw/zinc/04/95/32/436049532.db2.gz NUNQEKCHTHNMAC-HZPDHXFCSA-N 0 3 316.445 3.161 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000661386579 436049964 /nfs/dbraw/zinc/04/99/64/436049964.db2.gz UEEGCLYLDOJUIT-GFCCVEGCSA-N 0 3 315.339 3.206 20 30 DGEDHN C=CCCn1cc(CNCC2(c3ccccc3)CCCC2)nn1 ZINC000657301775 436126955 /nfs/dbraw/zinc/12/69/55/436126955.db2.gz NFJWXIZPPAAPGU-UHFFFAOYSA-N 0 3 310.445 3.456 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cnc3n2[C@@H](C)CCC3)n1 ZINC000651259223 436156872 /nfs/dbraw/zinc/15/68/72/436156872.db2.gz JPXYNIQZCIHQPG-QWRGUYRKSA-N 0 3 300.387 3.035 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(F)c1OC(F)F ZINC000657454409 436210982 /nfs/dbraw/zinc/21/09/82/436210982.db2.gz IRMOUZCVKJHGGM-OCCSQVGLSA-N 0 3 315.335 3.498 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)nn1 ZINC000657457858 436212677 /nfs/dbraw/zinc/21/26/77/436212677.db2.gz TUIQLGZIEJGPKL-DOTOQJQBSA-N 0 3 314.408 3.419 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)nn1 ZINC000653633907 436230067 /nfs/dbraw/zinc/23/00/67/436230067.db2.gz CUSBDVVAGQPQEU-IEBWSBKVSA-N 0 3 310.445 3.355 20 30 DGEDHN C=CCOCCCNCc1cccc(Br)c1F ZINC000657658845 436270516 /nfs/dbraw/zinc/27/05/16/436270516.db2.gz HAFNQMQKYPQAFS-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=CCc1cc(CNC[C@H](OC)C2CCCC2)cc(OC)c1O ZINC000657765351 436298733 /nfs/dbraw/zinc/29/87/33/436298733.db2.gz BHEQVARXPPDJEN-SFHVURJKSA-N 0 3 319.445 3.424 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)c1cccc2c1CCNC2 ZINC000662535842 436360304 /nfs/dbraw/zinc/36/03/04/436360304.db2.gz VUMWTXYHKBFUHS-UHFFFAOYSA-N 0 3 320.436 3.203 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CCNC2 ZINC000662599797 436368009 /nfs/dbraw/zinc/36/80/09/436368009.db2.gz ATPNPSWRBPLTKJ-OCCSQVGLSA-N 0 3 304.459 3.259 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000663421049 436457126 /nfs/dbraw/zinc/45/71/26/436457126.db2.gz WRHAUVUYILMPAX-FGTMMUONSA-N 0 3 313.445 3.182 20 30 DGEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659011188 436457177 /nfs/dbraw/zinc/45/71/77/436457177.db2.gz ARMLIZAVNXZPDX-HZPDHXFCSA-N 0 3 319.424 3.442 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000663415793 436457566 /nfs/dbraw/zinc/45/75/66/436457566.db2.gz IDNKMHZNUPVQPA-AEFFLSMTSA-N 0 3 315.461 3.287 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659038003 436461623 /nfs/dbraw/zinc/46/16/23/436461623.db2.gz LGAOQYNPJRKUSV-RHSMWYFYSA-N 0 3 317.433 3.214 20 30 DGEDHN C=CCC[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccco1 ZINC000658304949 436424684 /nfs/dbraw/zinc/42/46/84/436424684.db2.gz IALOTNIOWKTGIY-JKSUJKDBSA-N 0 3 317.433 3.167 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659249296 436481741 /nfs/dbraw/zinc/48/17/41/436481741.db2.gz CPSZKYJGWMPFHN-FQEVSTJZSA-N 0 3 320.436 3.478 20 30 DGEDHN N#Cc1ccc(CN2CCNC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000261674070 303190673 /nfs/dbraw/zinc/19/06/73/303190673.db2.gz GMYXWMKPTUXKKE-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN C[C@@H](COc1ccc(F)cc1F)NCc1cc(C#N)cs1 ZINC000177689876 312782876 /nfs/dbraw/zinc/78/28/76/312782876.db2.gz KBCYJLOFNHQNIU-JTQLQIEISA-N 0 3 308.353 3.455 20 30 DGEDHN CC[C@H](NCCSCc1ccccc1C#N)c1ccn(C)n1 ZINC000541732263 314034461 /nfs/dbraw/zinc/03/44/61/314034461.db2.gz JGRNEWXGYNOTTC-INIZCTEOSA-N 0 3 314.458 3.266 20 30 DGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000547739037 314391091 /nfs/dbraw/zinc/39/10/91/314391091.db2.gz UHUGKJSNPIGIRZ-HNNXBMFYSA-N 0 3 319.836 3.062 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N ZINC000548159526 314427637 /nfs/dbraw/zinc/42/76/37/314427637.db2.gz NUSBZNQJNSRXTH-GDZNZVCISA-N 0 3 300.402 3.259 20 30 DGEDHN CC(C)C[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000555553912 314728236 /nfs/dbraw/zinc/72/82/36/314728236.db2.gz MVVDNQVBQYNWMC-GOSISDBHSA-N 0 3 319.412 3.478 20 30 DGEDHN C[C@H](NCc1ccc2cnn(C)c2c1)c1ccc(C#N)c(F)c1 ZINC000558650934 314855252 /nfs/dbraw/zinc/85/52/52/314855252.db2.gz PEGYMAZGJYIYHR-LBPRGKRZSA-N 0 3 308.360 3.435 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ncccc1Cl)CC2 ZINC000565686441 315279920 /nfs/dbraw/zinc/27/99/20/315279920.db2.gz IKQAROSROMLQTF-MRXNPFEDSA-N 0 3 313.788 3.263 20 30 DGEDHN Cc1csc(NC(=O)N2CCCC23CCN(C)CC3)c1C#N ZINC000566421395 315343469 /nfs/dbraw/zinc/34/34/69/315343469.db2.gz ZDJDKUCMIDWFHX-UHFFFAOYSA-N 0 3 318.446 3.020 20 30 DGEDHN CCO[C@H]1C[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566657854 315365661 /nfs/dbraw/zinc/36/56/61/315365661.db2.gz XWZQKCDCRFWKQV-PMACEKPBSA-N 0 3 322.408 3.404 20 30 DGEDHN C[C@@H]1C[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2nccn21 ZINC000572590530 315803205 /nfs/dbraw/zinc/80/32/05/315803205.db2.gz ZRKLMBJECLZDDI-KDOFPFPSSA-N 0 3 321.428 3.019 20 30 DGEDHN COC(=O)c1cccc(CN[C@H]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000574439693 315966528 /nfs/dbraw/zinc/96/65/28/315966528.db2.gz LEAADAGOVPTTHN-LAQFHYBYSA-N 0 3 300.402 3.259 20 30 DGEDHN CC1=CCC[C@@H](C)[C@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000575068697 316029799 /nfs/dbraw/zinc/02/97/99/316029799.db2.gz LAMBORGROREOSB-AEFFLSMTSA-N 0 3 310.445 3.068 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccs1 ZINC000348017420 533705415 /nfs/dbraw/zinc/70/54/15/533705415.db2.gz RAYIPDMDTAZRIP-SWLSCSKDSA-N 0 3 309.394 3.179 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@H](C)C2CCCCC2)c(C#N)c1C ZINC000182935030 323317152 /nfs/dbraw/zinc/31/71/52/323317152.db2.gz WUHLRRFABQXJFO-GFCCVEGCSA-N 0 3 303.406 3.265 20 30 DGEDHN Cc1csc([C@H](C)NCCCOc2cccc(C#N)c2)n1 ZINC000184183262 323357774 /nfs/dbraw/zinc/35/77/74/323357774.db2.gz NFTPYXXRFZYGKF-ZDUSSCGKSA-N 0 3 301.415 3.443 20 30 DGEDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cccc(C#N)c2)cc1 ZINC000580577721 324015188 /nfs/dbraw/zinc/01/51/88/324015188.db2.gz PGKYQRQSKOGLHU-GOSISDBHSA-N 0 3 307.397 3.111 20 30 DGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)cn1 ZINC000580841186 324044989 /nfs/dbraw/zinc/04/49/89/324044989.db2.gz IHNOTVXEWGHLGU-FQEVSTJZSA-N 0 3 322.456 3.199 20 30 DGEDHN CC[C@@H]1C[C@@H](C)CN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000580991446 324061499 /nfs/dbraw/zinc/06/14/99/324061499.db2.gz MDNXHIWZTPORSI-KYJSFNMBSA-N 0 3 311.429 3.174 20 30 DGEDHN CN(C)[C@@H](CNc1ncc2c(c1C#N)CCC2)c1cccs1 ZINC000581880681 324163861 /nfs/dbraw/zinc/16/38/61/324163861.db2.gz DXXNYBAGROOVAU-HNNXBMFYSA-N 0 3 312.442 3.218 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Br)c(Cl)s1 ZINC000381618293 332875114 /nfs/dbraw/zinc/87/51/14/332875114.db2.gz WVAUEEIOUAHDDX-MRVPVSSYSA-N 0 3 324.671 3.438 20 30 DGEDHN N#CC1(CCN2CCC(OC[C@H]3CCOC3)CC2)CCCCC1 ZINC000556808455 331734623 /nfs/dbraw/zinc/73/46/23/331734623.db2.gz IVDCDZHWVIPWMF-KRWDZBQOSA-N 0 3 320.477 3.368 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](Cc2ccccc2)C1 ZINC000569393207 332073256 /nfs/dbraw/zinc/07/32/56/332073256.db2.gz UPWFUFORFGJCDA-LJQANCHMSA-N 0 3 312.457 3.142 20 30 DGEDHN N#C[C@H]1CCC[C@@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000185729809 333212981 /nfs/dbraw/zinc/21/29/81/333212981.db2.gz UEEVPDOLYFTPDT-DOTOQJQBSA-N 0 3 313.445 3.138 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)CN1CCC(CCC#N)CC1 ZINC000497254223 333228481 /nfs/dbraw/zinc/22/84/81/333228481.db2.gz ULHIBXAIYVDVKC-UHFFFAOYSA-N 0 3 309.454 3.305 20 30 DGEDHN C[C@@H](O)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000364062608 333230477 /nfs/dbraw/zinc/23/04/77/333230477.db2.gz UISQMJYESVRSPQ-APMMTJHUSA-N 0 3 306.409 3.453 20 30 DGEDHN CCCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1CCCCC1 ZINC000497729892 333283894 /nfs/dbraw/zinc/28/38/94/333283894.db2.gz ISMSWCHSZPPOSM-INIZCTEOSA-N 0 3 307.482 3.287 20 30 DGEDHN C#CCN1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000188342942 333363217 /nfs/dbraw/zinc/36/32/17/333363217.db2.gz CKUFOZGSLDANKC-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000188411070 333365781 /nfs/dbraw/zinc/36/57/81/333365781.db2.gz WQSONJJPKDZMNX-MJGOQNOKSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cccs1)C(C)C ZINC000337451130 333449466 /nfs/dbraw/zinc/44/94/66/333449466.db2.gz TVLGTMZGCIOMDU-MRXNPFEDSA-N 0 3 321.490 3.246 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000185728634 335147287 /nfs/dbraw/zinc/14/72/87/335147287.db2.gz XOEHEOXMBWKWRB-SFHVURJKSA-N 0 3 312.457 3.303 20 30 DGEDHN C=C[C@@H](CC(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000152148811 333625889 /nfs/dbraw/zinc/62/58/89/333625889.db2.gz UBEUKNJUIMTLDP-KRWDZBQOSA-N 0 3 300.446 3.339 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000563641419 333643970 /nfs/dbraw/zinc/64/39/70/333643970.db2.gz IABQLOKNBLXTJP-UYIIGHAYSA-N 0 3 316.489 3.358 20 30 DGEDHN COc1ccccc1O[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000293732123 334201490 /nfs/dbraw/zinc/20/14/90/334201490.db2.gz ZHXIYDAIDSRHIC-HRCADAONSA-N 0 3 300.402 3.231 20 30 DGEDHN C=CCOc1ccc(CNCc2cc(C)cc(N)c2)cc1OC ZINC000414967051 334214743 /nfs/dbraw/zinc/21/47/43/334214743.db2.gz PIQBNLJYMRBPNJ-UHFFFAOYSA-N 0 3 312.413 3.440 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297539940 334242414 /nfs/dbraw/zinc/24/24/14/334242414.db2.gz OSIVNNHVEZEBCS-MSOLQXFVSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCCc1ccccc1 ZINC000534600512 334294570 /nfs/dbraw/zinc/29/45/70/334294570.db2.gz ARFLYFJUKAVTDA-QGZVFWFLSA-N 0 3 300.446 3.140 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCCc1ccccc1 ZINC000534600511 334294576 /nfs/dbraw/zinc/29/45/76/334294576.db2.gz ARFLYFJUKAVTDA-KRWDZBQOSA-N 0 3 300.446 3.140 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000345390695 335322746 /nfs/dbraw/zinc/32/27/46/335322746.db2.gz LIFCVNKXOUXDPN-INIZCTEOSA-N 0 3 300.446 3.370 20 30 DGEDHN N#CCCC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000583497425 335616562 /nfs/dbraw/zinc/61/65/62/335616562.db2.gz NKXURNFFBZSHMJ-MRXNPFEDSA-N 0 3 322.836 3.095 20 30 DGEDHN C=CCN1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000520682873 336015338 /nfs/dbraw/zinc/01/53/38/336015338.db2.gz VMBLLKFDVBFBRC-UHFFFAOYSA-N 0 3 316.489 3.360 20 30 DGEDHN C=CCN1CCC(Nc2ncnc3sc4c(c32)CCC4)CC1 ZINC000301168821 336292980 /nfs/dbraw/zinc/29/29/80/336292980.db2.gz IRQXIZVZWXSDDN-UHFFFAOYSA-N 0 3 314.458 3.242 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582728937 337126399 /nfs/dbraw/zinc/12/63/99/337126399.db2.gz CEDZFASIYJPLSF-AWEZNQCLSA-N 0 3 308.853 3.314 20 30 DGEDHN N#Cc1cnn2cc(CN(CC3CCCCC3)C3CC3)cnc12 ZINC000584411802 337321268 /nfs/dbraw/zinc/32/12/68/337321268.db2.gz RUGGXADKJYTETI-UHFFFAOYSA-N 0 3 309.417 3.146 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2oc3ccccc3c2C)CC1 ZINC000057175657 337856738 /nfs/dbraw/zinc/85/67/38/337856738.db2.gz YDTMESQQEHAOJJ-OAHLLOKOSA-N 0 3 324.424 3.264 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(OCC(C)C)c2)CC1 ZINC000057175756 337856752 /nfs/dbraw/zinc/85/67/52/337856752.db2.gz UKIDRIIPXVXQIQ-UHFFFAOYSA-N 0 3 314.429 3.005 20 30 DGEDHN Cc1cccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000537088620 337888331 /nfs/dbraw/zinc/88/83/31/337888331.db2.gz QAVKBYMKRVAALU-BXWFABGCSA-N 0 3 315.461 3.397 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCCCC1)C(C)C ZINC000503436917 340128371 /nfs/dbraw/zinc/12/83/71/340128371.db2.gz DOMQCGMRPFBXGP-QGZVFWFLSA-N 0 3 307.482 3.271 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000509586585 340274268 /nfs/dbraw/zinc/27/42/68/340274268.db2.gz PQWZCGRUDASCOY-GOEBONIOSA-N 0 3 319.449 3.316 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000510297603 340295237 /nfs/dbraw/zinc/29/52/37/340295237.db2.gz KTNLPZNXVJBRBH-BPQIPLTHSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000303626297 340338522 /nfs/dbraw/zinc/33/85/22/340338522.db2.gz QBCPCVMXYCIHGW-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN CC(C)N(CCC#N)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000522585460 340605097 /nfs/dbraw/zinc/60/50/97/340605097.db2.gz PBDVKFOSCXKERM-UHFFFAOYSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000523609478 340629834 /nfs/dbraw/zinc/62/98/34/340629834.db2.gz SGWUUIGYBGFURZ-MRXNPFEDSA-N 0 3 300.446 3.322 20 30 DGEDHN N#CCc1ccc(CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000542202817 340999666 /nfs/dbraw/zinc/99/96/66/340999666.db2.gz BXFKUVPPFBZRHA-UHFFFAOYSA-N 0 3 311.473 3.451 20 30 DGEDHN COC(=O)[C@@H](C)[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000542207012 340999972 /nfs/dbraw/zinc/99/99/72/340999972.db2.gz VHVGKIPRQRKFIE-KXBFYZLASA-N 0 3 322.408 3.393 20 30 DGEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000543139670 341033819 /nfs/dbraw/zinc/03/38/19/341033819.db2.gz VVFHCVAWUYQYCT-CYBMUJFWSA-N 0 3 317.351 3.343 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC[C@@H](C#N)CCC#N)cc1 ZINC000564281020 341094077 /nfs/dbraw/zinc/09/40/77/341094077.db2.gz SAOUVAREGFFIBP-QRQLOZEOSA-N 0 3 311.429 3.496 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)NC1(C#N)CCCCC1 ZINC000544894837 341097707 /nfs/dbraw/zinc/09/77/07/341097707.db2.gz XALVIXSTAJJVHW-INIZCTEOSA-N 0 3 313.445 3.297 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C)[C@@H]2CCC)CC1 ZINC000074132421 341129578 /nfs/dbraw/zinc/12/95/78/341129578.db2.gz XGVRTCCVYZZDCL-WBVHZDCISA-N 0 3 307.482 3.247 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000546144165 341154656 /nfs/dbraw/zinc/15/46/56/341154656.db2.gz WBPYZSKISQMCOS-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN N#CC(=C([O-])c1ccnc(Oc2ccccc2)c1)c1ccncn1 ZINC000546152866 341154855 /nfs/dbraw/zinc/15/48/55/341154855.db2.gz GPDCLDNJBIUGNK-OAHLLOKOSA-N 0 3 316.320 3.154 20 30 DGEDHN N#CC(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccncn1 ZINC000546152866 341154856 /nfs/dbraw/zinc/15/48/56/341154856.db2.gz GPDCLDNJBIUGNK-OAHLLOKOSA-N 0 3 316.320 3.154 20 30 DGEDHN CC(C)(CCC#N)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000546658425 341177648 /nfs/dbraw/zinc/17/76/48/341177648.db2.gz WGVHUSXHKPOKLN-CQSZACIVSA-N 0 3 306.372 3.342 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC1CCCCC1)C1CC1 ZINC000077211597 341220949 /nfs/dbraw/zinc/22/09/49/341220949.db2.gz GAOSQVUQNKAPKJ-HNNXBMFYSA-N 0 3 305.466 3.039 20 30 DGEDHN C=C(C)[C@@H](NCCCN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000548164077 341250671 /nfs/dbraw/zinc/25/06/71/341250671.db2.gz YHBGGZKKGZRQKQ-QGZVFWFLSA-N 0 3 308.372 3.184 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079504314 341260166 /nfs/dbraw/zinc/26/01/66/341260166.db2.gz ANWPZIOPLLZKEK-GOSISDBHSA-N 0 3 313.445 3.035 20 30 DGEDHN CC(C)C[C@H](CNC(=O)c1cccc(SCC#N)c1)N(C)C ZINC000079527562 341260617 /nfs/dbraw/zinc/26/06/17/341260617.db2.gz CYNKBKRCHYTYHP-OAHLLOKOSA-N 0 3 319.474 3.008 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C(C)(F)F)C(C)C ZINC000551095065 341331514 /nfs/dbraw/zinc/33/15/14/341331514.db2.gz IIZVQRGSFOBEJM-ZIAGYGMSSA-N 0 3 302.409 3.093 20 30 DGEDHN N#C[C@H]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000575863750 341811342 /nfs/dbraw/zinc/81/13/42/341811342.db2.gz NIHKAJYFZUTLLQ-FZMZJTMJSA-N 0 3 316.792 3.214 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000178887555 341969641 /nfs/dbraw/zinc/96/96/41/341969641.db2.gz YKYWBDOEHJOZGK-CQSZACIVSA-N 0 3 320.864 3.285 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000570156853 501032143 /nfs/dbraw/zinc/03/21/43/501032143.db2.gz NBQXMLTXCWBOQW-GBESFXJTSA-N 0 3 321.424 3.326 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccs1 ZINC000348017422 533723358 /nfs/dbraw/zinc/72/33/58/533723358.db2.gz RAYIPDMDTAZRIP-WFASDCNBSA-N 0 3 309.394 3.179 20 30 DGEDHN COc1cc(CNCc2cccc3c2CCCN3)ccc1C#N ZINC000415032942 533886778 /nfs/dbraw/zinc/88/67/78/533886778.db2.gz JOERAGSUSMNYMU-UHFFFAOYSA-N 0 3 307.397 3.215 20 30 DGEDHN C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000181796707 533890452 /nfs/dbraw/zinc/89/04/52/533890452.db2.gz HLYYSQDJVYKXLT-SUMWQHHRSA-N 0 3 316.426 3.209 20 30 DGEDHN C[C@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCCCO1 ZINC000346676067 533929250 /nfs/dbraw/zinc/92/92/50/533929250.db2.gz PIFOBPHPCLBXAS-MAUKXSAKSA-N 0 3 302.418 3.416 20 30 DGEDHN COc1ccccc1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433114154 534045261 /nfs/dbraw/zinc/04/52/61/534045261.db2.gz MREFVBTWCPZSSR-SFHVURJKSA-N 0 3 322.408 3.126 20 30 DGEDHN C[C@@H]1SCCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000433344579 534219399 /nfs/dbraw/zinc/21/93/99/534219399.db2.gz SKKNFKZFMSHTDU-DZKIICNBSA-N 0 3 302.443 3.111 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000330995451 534255182 /nfs/dbraw/zinc/25/51/82/534255182.db2.gz OHSORHGXZOOHLE-DTDBQYNISA-N 0 3 309.413 3.181 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444760279 534283459 /nfs/dbraw/zinc/28/34/59/534283459.db2.gz IXPCIDOEIKCEBU-LDWIPMOCSA-N 0 3 308.662 3.358 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458883974 534409696 /nfs/dbraw/zinc/40/96/96/534409696.db2.gz FTZUIJMSYNMEKA-INIZCTEOSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1OCC ZINC000489505533 534559287 /nfs/dbraw/zinc/55/92/87/534559287.db2.gz DLENTAUDHOSHEG-OAHLLOKOSA-N 0 3 302.418 3.454 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCCC)c(OC)c1 ZINC000449549081 534572996 /nfs/dbraw/zinc/57/29/96/534572996.db2.gz UNWMDJLPEUIGGG-CVEARBPZSA-N 0 3 305.418 3.307 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000449548196 534573436 /nfs/dbraw/zinc/57/34/36/534573436.db2.gz LNWXJHAPLZJIEP-KGLIPLIRSA-N 0 3 311.809 3.180 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCCCNc2ccccn2)C1 ZINC000127560666 534576195 /nfs/dbraw/zinc/57/61/95/534576195.db2.gz GSNJCEJTPOBBGA-UHFFFAOYSA-N 0 3 306.413 3.097 20 30 DGEDHN C=CCC1(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)CCCC1 ZINC000459055676 534597704 /nfs/dbraw/zinc/59/77/04/534597704.db2.gz VAPYZSHSGSVFIF-MRXNPFEDSA-N 0 3 307.482 3.106 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(CC)c1cccc2ccccc21 ZINC000451595710 534606531 /nfs/dbraw/zinc/60/65/31/534606531.db2.gz DVOJXBLGOFVEBO-MJGOQNOKSA-N 0 3 324.424 3.126 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@@H](COC(F)F)C2)c1 ZINC000348871858 534615453 /nfs/dbraw/zinc/61/54/53/534615453.db2.gz YSHQJFXYMZLIRG-OAHLLOKOSA-N 0 3 324.371 3.430 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC(CCCO)CC2)c1 ZINC000341524173 534616044 /nfs/dbraw/zinc/61/60/44/534616044.db2.gz GJAHMMYFFLRODY-UHFFFAOYSA-N 0 3 316.445 3.354 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458257030 534619634 /nfs/dbraw/zinc/61/96/34/534619634.db2.gz CJJIPBZHKCOBLS-SFHVURJKSA-N 0 3 304.434 3.224 20 30 DGEDHN Cc1ncc(CN(C)C(=O)C(C#N)CCc2ccccc2)s1 ZINC000339266498 534732321 /nfs/dbraw/zinc/73/23/21/534732321.db2.gz WIMJMLGNKGTUMG-OAHLLOKOSA-N 0 3 313.426 3.183 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000433354346 534739711 /nfs/dbraw/zinc/73/97/11/534739711.db2.gz NZJLVGPISXRJSX-IRXDYDNUSA-N 0 3 322.412 3.236 20 30 DGEDHN C#CCOCCN1CCC[C@@H]1Cc1ccccc1Br ZINC001559923361 1189257392 /nfs/dbraw/zinc/25/73/92/1189257392.db2.gz ZGUJMHHIHLUKLP-OAHLLOKOSA-N 0 3 322.246 3.106 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)[C@@H](C)C2)cc1OC ZINC000449497417 534883721 /nfs/dbraw/zinc/88/37/21/534883721.db2.gz KGEPIDTXUPOOPI-GOEBONIOSA-N 0 3 305.418 3.117 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458731885 534887590 /nfs/dbraw/zinc/88/75/90/534887590.db2.gz KWEOSQUQOKTXBZ-OAHLLOKOSA-N 0 3 309.479 3.176 20 30 DGEDHN C=CCN(CCCO[C@@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000358828685 526273712 /nfs/dbraw/zinc/27/37/12/526273712.db2.gz KZIZYRBGNDYAMR-LJQANCHMSA-N 0 3 314.429 3.480 20 30 DGEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000185307585 526289454 /nfs/dbraw/zinc/28/94/54/526289454.db2.gz AORDNMSNLBSSLB-UHFFFAOYSA-N 0 3 322.399 3.049 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000185345110 526299574 /nfs/dbraw/zinc/29/95/74/526299574.db2.gz AHUIKZHEXZHMHJ-MRXNPFEDSA-N 0 3 318.486 3.270 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000352931159 526326569 /nfs/dbraw/zinc/32/65/69/526326569.db2.gz MSTIYZJDVFRQFT-UHFFFAOYSA-N 0 3 322.412 3.399 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccc(-n2cncn2)cc1 ZINC000352933116 526327699 /nfs/dbraw/zinc/32/76/99/526327699.db2.gz RWPKMWMPYDVLRF-UHFFFAOYSA-N 0 3 308.385 3.091 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355417413 526336533 /nfs/dbraw/zinc/33/65/33/526336533.db2.gz YKQUSHYQCQCXMR-HOTGVXAUSA-N 0 3 316.445 3.083 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](CC)N(CC)CC ZINC000346019624 526363077 /nfs/dbraw/zinc/36/30/77/526363077.db2.gz VPQICRYOKWAGES-QGZVFWFLSA-N 0 3 306.425 3.461 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000343954921 526372627 /nfs/dbraw/zinc/37/26/27/526372627.db2.gz NIGSGWOBQCDGBU-ZBFHGGJFSA-N 0 3 318.486 3.383 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C2CC2)C1 ZINC000343954918 526373119 /nfs/dbraw/zinc/37/31/19/526373119.db2.gz NIGSGWOBQCDGBU-GDBMZVCRSA-N 0 3 318.486 3.383 20 30 DGEDHN C=CCN1CCC(NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC000178794915 526422500 /nfs/dbraw/zinc/42/25/00/526422500.db2.gz BUPXXPYZDAGQMA-MRXNPFEDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2c(C)oc3ccccc32)CC1 ZINC000342050639 526423889 /nfs/dbraw/zinc/42/38/89/526423889.db2.gz QANSOWIDNGNPQJ-UHFFFAOYSA-N 0 3 312.413 3.050 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCc3sccc32)CC1 ZINC000163147185 526439622 /nfs/dbraw/zinc/43/96/22/526439622.db2.gz UBXOVCJKNFDRSO-HNNXBMFYSA-N 0 3 319.474 3.075 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3cc(C)ccc3nc2C)CC1 ZINC000357580217 526446011 /nfs/dbraw/zinc/44/60/11/526446011.db2.gz IWSIBZLDBHMFJQ-UHFFFAOYSA-N 0 3 323.440 3.232 20 30 DGEDHN C=CCN1CCC(Nc2ncnc3sc(C)c(C)c32)CC1 ZINC000358467235 526454207 /nfs/dbraw/zinc/45/42/07/526454207.db2.gz VQAWWYCXNSQZCE-UHFFFAOYSA-N 0 3 302.447 3.370 20 30 DGEDHN C=CCN1CCC2(C[C@H]2N(Cc2ccsc2)C(C)=O)CC1 ZINC000434858573 526454324 /nfs/dbraw/zinc/45/43/24/526454324.db2.gz ALOGJENBSMDJAA-MRXNPFEDSA-N 0 3 304.459 3.137 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@](C)(c3ccccc3)CC2)C1=O ZINC000352209279 526508938 /nfs/dbraw/zinc/50/89/38/526508938.db2.gz ATAWKUPKQKVJMT-AZUAARDMSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCNC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000180037285 526571376 /nfs/dbraw/zinc/57/13/76/526571376.db2.gz KIXAVIANSMKYJF-NEPJUHHUSA-N 0 3 314.351 3.089 20 30 DGEDHN C=CCNC(=O)CN[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000180029387 526572356 /nfs/dbraw/zinc/57/23/56/526572356.db2.gz SFOJLSHGHXIKGB-INIZCTEOSA-N 0 3 308.425 3.099 20 30 DGEDHN C=CCNC(=O)CN[C@](C)(Cc1ccccc1)c1ccccc1 ZINC000412091594 526575240 /nfs/dbraw/zinc/57/52/40/526575240.db2.gz HHKKYZRWLUREHK-HXUWFJFHSA-N 0 3 308.425 3.036 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(C(F)F)c2)CC1 ZINC000344418952 526583178 /nfs/dbraw/zinc/58/31/78/526583178.db2.gz MWBIUGQQQZZEIH-UHFFFAOYSA-N 0 3 322.399 3.323 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CCC)c2ccccn2)CC1 ZINC000353312860 526597180 /nfs/dbraw/zinc/59/71/80/526597180.db2.gz IBZNDXQHDMDIHF-QGZVFWFLSA-N 0 3 315.461 3.122 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)cccc2SC)CC1 ZINC000336923936 526598954 /nfs/dbraw/zinc/59/89/54/526598954.db2.gz JQFZCYAAJTYGMD-UHFFFAOYSA-N 0 3 322.449 3.318 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H]2C(C)(C)O)ccc1OC ZINC000154421324 526660174 /nfs/dbraw/zinc/66/01/74/526660174.db2.gz WBGJJWVJSHQNTK-SFHVURJKSA-N 0 3 319.445 3.385 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H](O)[C@@H](C)CC)ccc1OC ZINC000112381565 526660986 /nfs/dbraw/zinc/66/09/86/526660986.db2.gz VAODMEYXPAVADB-HOCLYGCPSA-N 0 3 307.434 3.147 20 30 DGEDHN C=C(C)COc1cc(CNCC2(OC)CCC2)ccc1OC ZINC000181085554 526661606 /nfs/dbraw/zinc/66/16/06/526661606.db2.gz MNDXTNROHKACTD-UHFFFAOYSA-N 0 3 305.418 3.309 20 30 DGEDHN C=C(C)COc1cc(CNCC[C@H](O)C(C)C)ccc1OC ZINC000344441037 526661873 /nfs/dbraw/zinc/66/18/73/526661873.db2.gz HUGVUNALIHTVKT-INIZCTEOSA-N 0 3 307.434 3.147 20 30 DGEDHN C#CCCCCNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282038728 526706531 /nfs/dbraw/zinc/70/65/31/526706531.db2.gz OPNDGQSHVTVYKJ-UHFFFAOYSA-N 0 3 309.435 3.383 20 30 DGEDHN C=CCOCCCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338755914 526740746 /nfs/dbraw/zinc/74/07/46/526740746.db2.gz KXRIHGKISXRYIA-INIZCTEOSA-N 0 3 324.852 3.042 20 30 DGEDHN C=CCOCCCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000347957806 526753500 /nfs/dbraw/zinc/75/35/00/526753500.db2.gz AMOOEIDNKMGKOH-KRWDZBQOSA-N 0 3 305.418 3.433 20 30 DGEDHN C=C(C)[C@@H](NC[C@H](O)CCOC(C)C)c1ccc(F)c(F)c1 ZINC000349855353 526756408 /nfs/dbraw/zinc/75/64/08/526756408.db2.gz QFWIXNJNCPTRDK-RHSMWYFYSA-N 0 3 313.388 3.348 20 30 DGEDHN C=CCOCCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000338888844 526770957 /nfs/dbraw/zinc/77/09/57/526770957.db2.gz AIANQTVAEFALMZ-UHFFFAOYSA-N 0 3 308.853 3.050 20 30 DGEDHN C=CCOCCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000339050528 526771726 /nfs/dbraw/zinc/77/17/26/526771726.db2.gz GQSYGHFKXUGXBG-CYBMUJFWSA-N 0 3 304.365 3.349 20 30 DGEDHN C=CCOc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000444611851 526846340 /nfs/dbraw/zinc/84/63/40/526846340.db2.gz HHKVBFPRLNOJMI-UHFFFAOYSA-N 0 3 316.445 3.103 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000343340537 526847642 /nfs/dbraw/zinc/84/76/42/526847642.db2.gz VDSWBSBVACKGFX-INIZCTEOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000280587421 526849830 /nfs/dbraw/zinc/84/98/30/526849830.db2.gz IDSKCPOCGWHRPH-BLLLJJGKSA-N 0 3 305.809 3.059 20 30 DGEDHN C=CCOc1ccc(CNCCc2nc(C)oc2C)cc1OC ZINC000346818840 526886008 /nfs/dbraw/zinc/88/60/08/526886008.db2.gz FHVRKWNLLSDHRS-UHFFFAOYSA-N 0 3 316.401 3.197 20 30 DGEDHN C=CCOc1ccc(CNCc2ccccc2NC(C)=O)cc1 ZINC000352952301 526887206 /nfs/dbraw/zinc/88/72/06/526887206.db2.gz QCPRAJYWTQBFDG-UHFFFAOYSA-N 0 3 310.397 3.500 20 30 DGEDHN C=C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000354128251 526898683 /nfs/dbraw/zinc/89/86/83/526898683.db2.gz SXWDQQJURDFWRU-KRWDZBQOSA-N 0 3 316.420 3.216 20 30 DGEDHN C=C1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000342188251 526902367 /nfs/dbraw/zinc/90/23/67/526902367.db2.gz XQIRWXZVJUYKQR-MJGOQNOKSA-N 0 3 301.430 3.094 20 30 DGEDHN C=CC1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000131109902 526979958 /nfs/dbraw/zinc/97/99/58/526979958.db2.gz NVVIJIYTCNSUKX-UHFFFAOYSA-N 0 3 300.324 3.421 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000348073015 526984537 /nfs/dbraw/zinc/98/45/37/526984537.db2.gz KNGYDZCDFUYLDU-IAGOWNOFSA-N 0 3 315.461 3.135 20 30 DGEDHN C=CCSCCNCc1ccc(OC)cc1Br ZINC000336711219 527003617 /nfs/dbraw/zinc/00/36/17/527003617.db2.gz PPANGXGIPODGHL-UHFFFAOYSA-N 0 3 316.264 3.467 20 30 DGEDHN C=CC[C@@H](C)[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177968856 527033628 /nfs/dbraw/zinc/03/36/28/527033628.db2.gz YVYIUPADYMCHFA-CHWSQXEVSA-N 0 3 315.866 3.304 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346629380 527082886 /nfs/dbraw/zinc/08/28/86/527082886.db2.gz UJKWPFKWRQCCJQ-RDTXWAMCSA-N 0 3 300.377 3.084 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000341885421 527083388 /nfs/dbraw/zinc/08/33/88/527083388.db2.gz XCAYKUSSGZPAPI-VXGBXAGGSA-N 0 3 307.825 3.062 20 30 DGEDHN C=CCCCCCN(C)Cc1cnc(N2CCOCC2)s1 ZINC000127768349 527128778 /nfs/dbraw/zinc/12/87/78/527128778.db2.gz LDWFMGHCPBKXCN-UHFFFAOYSA-N 0 3 309.479 3.158 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357284300 527133291 /nfs/dbraw/zinc/13/32/91/527133291.db2.gz NMWRTBMRENWKDF-ZMSDIMECSA-N 0 3 303.450 3.250 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341452574 527155433 /nfs/dbraw/zinc/15/54/33/527155433.db2.gz ABHCOJRIGOVSLP-RDJZCZTQSA-N 0 3 303.450 3.161 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000355840008 527156063 /nfs/dbraw/zinc/15/60/63/527156063.db2.gz DTHNTDWYRXPRMQ-HOTGVXAUSA-N 0 3 307.413 3.082 20 30 DGEDHN C=CCCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000351694252 527157816 /nfs/dbraw/zinc/15/78/16/527157816.db2.gz RXQCNRSJINWKPG-GOSISDBHSA-N 0 3 315.461 3.307 20 30 DGEDHN C=CCCCCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000352547103 527162286 /nfs/dbraw/zinc/16/22/86/527162286.db2.gz BXYDJAWNIRVRKU-UHFFFAOYSA-N 0 3 305.422 3.105 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1OCC1CC1 ZINC000430036359 527185726 /nfs/dbraw/zinc/18/57/26/527185726.db2.gz RHMXLDREOMZKHY-AWEZNQCLSA-N 0 3 309.837 3.403 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000341892232 527189409 /nfs/dbraw/zinc/18/94/09/527189409.db2.gz WOXDCOPJRNMUFP-NEPJUHHUSA-N 0 3 313.825 3.192 20 30 DGEDHN C=CC[C@H](CO)CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000341885415 527190500 /nfs/dbraw/zinc/19/05/00/527190500.db2.gz XCAYKUSSGZPAPI-NEPJUHHUSA-N 0 3 307.825 3.062 20 30 DGEDHN CC(C)(CO)[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000429713283 527219733 /nfs/dbraw/zinc/21/97/33/527219733.db2.gz DJKZUACCRIFNMM-LJQANCHMSA-N 0 3 324.424 3.286 20 30 DGEDHN C=CCCCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129674478 527235624 /nfs/dbraw/zinc/23/56/24/527235624.db2.gz XYSICAXCPPXYLV-ZDUSSCGKSA-N 0 3 310.323 3.469 20 30 DGEDHN C=CCCN(C)[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000342767183 527324899 /nfs/dbraw/zinc/32/48/99/527324899.db2.gz XVMIKRFSCTWJHI-CQSZACIVSA-N 0 3 324.852 3.074 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000352353348 527325863 /nfs/dbraw/zinc/32/58/63/527325863.db2.gz WCCMASZZUSLEFX-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C#Cc1ccc(CN2CCC(C(=O)N(C)CCCC)CC2)cc1 ZINC000289079991 527434041 /nfs/dbraw/zinc/43/40/41/527434041.db2.gz KJXMGTSQJOWWGZ-UHFFFAOYSA-N 0 3 312.457 3.138 20 30 DGEDHN C=C[C@@H](CO)N[C@@H]1CCc2c1cc(Cl)cc2Br ZINC000353574682 527443998 /nfs/dbraw/zinc/44/39/98/527443998.db2.gz JIWCNKXTSVHZQR-TVQRCGJNSA-N 0 3 316.626 3.226 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000180037118 527447523 /nfs/dbraw/zinc/44/75/23/527447523.db2.gz LAPUSRYGKGHBRA-IEBWSBKVSA-N 0 3 311.429 3.092 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000129034177 527452910 /nfs/dbraw/zinc/45/29/10/527452910.db2.gz DLKOXSACPVICAA-QZTJIDSGSA-N 0 3 319.445 3.003 20 30 DGEDHN CC(C)(C#N)CCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338594246 527465414 /nfs/dbraw/zinc/46/54/14/527465414.db2.gz XRYXIAWMQSLUBL-UHFFFAOYSA-N 0 3 309.417 3.172 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000345706285 527465584 /nfs/dbraw/zinc/46/55/84/527465584.db2.gz FYSADNGCJKSXCY-INIZCTEOSA-N 0 3 313.445 3.068 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1 ZINC000417906661 527476812 /nfs/dbraw/zinc/47/68/12/527476812.db2.gz COBNHMMEDRVJHD-VYDXJSESSA-N 0 3 301.434 3.086 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000435100998 527479194 /nfs/dbraw/zinc/47/91/94/527479194.db2.gz MCTCPCATZMXZCA-JQHSSLGASA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000152647319 527488969 /nfs/dbraw/zinc/48/89/69/527488969.db2.gz GXTBQRFRACDXAQ-ZDUSSCGKSA-N 0 3 303.324 3.344 20 30 DGEDHN C=CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000357963369 527544871 /nfs/dbraw/zinc/54/48/71/527544871.db2.gz KIAWSVBJVOEBDX-MRXNPFEDSA-N 0 3 316.420 3.215 20 30 DGEDHN C=C[C@H](C)NCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000342133042 527569619 /nfs/dbraw/zinc/56/96/19/527569619.db2.gz JJDFTCJDKMBMTO-JTQLQIEISA-N 0 3 301.333 3.012 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nc2c(cccc2F)n1CC ZINC000429718898 527572384 /nfs/dbraw/zinc/57/23/84/527572384.db2.gz BOYNDSLLGQSGOE-UHFFFAOYSA-N 0 3 318.440 3.135 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000135635440 527572330 /nfs/dbraw/zinc/57/23/30/527572330.db2.gz KWECBHMGTVCJAH-JZXOWHBKSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000429710668 527575303 /nfs/dbraw/zinc/57/53/03/527575303.db2.gz YKQDIVRNEVSYGY-HNNXBMFYSA-N 0 3 314.433 3.237 20 30 DGEDHN C=C[C@H](CO)NCc1cccc(OCc2ccccc2F)c1 ZINC000352449018 527592486 /nfs/dbraw/zinc/59/24/86/527592486.db2.gz XCDKKJLQWPSZOJ-MRXNPFEDSA-N 0 3 301.361 3.041 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC[C@@H](SCC)C1 ZINC000350897675 527626946 /nfs/dbraw/zinc/62/69/46/527626946.db2.gz SIUOKIXPQPLNJA-HZPDHXFCSA-N 0 3 310.507 3.183 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](CC)C1)C(C)C ZINC000447290050 527645653 /nfs/dbraw/zinc/64/56/53/527645653.db2.gz IRUSNBABCSTHLD-IRXDYDNUSA-N 0 3 307.482 3.127 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H](OC)C1)C(C)C ZINC000340301239 527649870 /nfs/dbraw/zinc/64/98/70/527649870.db2.gz KEEUFVJJSJRTED-OKZBNKHCSA-N 0 3 322.493 3.006 20 30 DGEDHN CC(C)COC(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000174839921 528071858 /nfs/dbraw/zinc/07/18/58/528071858.db2.gz GPMJEOZOTWVZOK-UHFFFAOYSA-N 0 3 309.454 3.117 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)C1(C#N)CCCCC1 ZINC000342784858 528080404 /nfs/dbraw/zinc/08/04/04/528080404.db2.gz KZTNNQRYDCBOGD-UHFFFAOYSA-N 0 3 305.466 3.185 20 30 DGEDHN CCN(CC)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000068455798 528089738 /nfs/dbraw/zinc/08/97/38/528089738.db2.gz FPOUWCYSJWBGII-CYBMUJFWSA-N 0 3 314.216 3.016 20 30 DGEDHN CCOc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000349827640 528284295 /nfs/dbraw/zinc/28/42/95/528284295.db2.gz KAQQSTCBQZENAH-YPMHNXCESA-N 0 3 310.344 3.469 20 30 DGEDHN CCOc1cc2c(cc1CN[C@@H]1CC[C@H](C#N)C1)O[C@H](C)C2 ZINC000349830682 528341458 /nfs/dbraw/zinc/34/14/58/528341458.db2.gz QYPSQWWPYNXOLJ-DVOMOZLQSA-N 0 3 300.402 3.191 20 30 DGEDHN CCN(CCC#N)C(=O)CN(Cc1cccc(C)c1)CC(C)C ZINC000346731384 528356573 /nfs/dbraw/zinc/35/65/73/528356573.db2.gz GLJSXPHMHZHPLY-UHFFFAOYSA-N 0 3 315.461 3.215 20 30 DGEDHN CCC(=O)[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339354008 528446564 /nfs/dbraw/zinc/44/65/64/528446564.db2.gz KALKRRBLNNIBLM-SJORKVTESA-N 0 3 312.413 3.119 20 30 DGEDHN CC(C)n1cc(C2=CCCN([C@@H]3CCC[C@H](C#N)C3)CC2)nn1 ZINC000333627601 528560844 /nfs/dbraw/zinc/56/08/44/528560844.db2.gz ZMPIMGDJLVFKIB-DOTOQJQBSA-N 0 3 313.449 3.421 20 30 DGEDHN CCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1[N+](=O)[O-] ZINC000430734343 528593745 /nfs/dbraw/zinc/59/37/45/528593745.db2.gz MGGYOEPLPRVTET-GFCCVEGCSA-N 0 3 303.362 3.338 20 30 DGEDHN CC(C)[C@@H]1CN(C)CCN1Cc1cccc(OCCCC#N)c1 ZINC000184737516 528742902 /nfs/dbraw/zinc/74/29/02/528742902.db2.gz LPHKAZZCVRCURN-IBGZPJMESA-N 0 3 315.461 3.141 20 30 DGEDHN CCC(CC)CN(CCC#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000345295451 528746238 /nfs/dbraw/zinc/74/62/38/528746238.db2.gz AZZYLTPUIALTTA-MRXNPFEDSA-N 0 3 307.482 3.429 20 30 DGEDHN CCOCCOCc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442714393 528811088 /nfs/dbraw/zinc/81/10/88/528811088.db2.gz LHMJGOINALYDHT-CRAIPNDOSA-N 0 3 302.418 3.022 20 30 DGEDHN CCN(Cc1occc1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000412797293 528912645 /nfs/dbraw/zinc/91/26/45/528912645.db2.gz GOACBRAAEPYPGJ-KRWDZBQOSA-N 0 3 321.380 3.191 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000331300305 528934297 /nfs/dbraw/zinc/93/42/97/528934297.db2.gz QPINJNGZGZJZGN-UHFFFAOYSA-N 0 3 323.368 3.161 20 30 DGEDHN CCN1CCC(NC(=O)Nc2cc(C)cc(OC)c2C)CC1 ZINC000331150717 528960168 /nfs/dbraw/zinc/96/01/68/528960168.db2.gz OKEKTHRSDUGQNS-UHFFFAOYSA-N 0 3 305.422 3.122 20 30 DGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C#N)ccc1OC ZINC000429308081 529115394 /nfs/dbraw/zinc/11/53/94/529115394.db2.gz QKXUAFAKGGDSTA-DLBZAZTESA-N 0 3 302.418 3.250 20 30 DGEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000444670069 529280140 /nfs/dbraw/zinc/28/01/40/529280140.db2.gz DUKYJAZVMMZHQL-MSOLQXFVSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429775169 529311767 /nfs/dbraw/zinc/31/17/67/529311767.db2.gz OONBYGKUFJPBJP-ABAIWWIYSA-N 0 3 305.809 3.318 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459318566 535090681 /nfs/dbraw/zinc/09/06/81/535090681.db2.gz CPLFAHMLDFAVHM-UHFFFAOYSA-N 0 3 322.412 3.342 20 30 DGEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000452021639 535753525 /nfs/dbraw/zinc/75/35/25/535753525.db2.gz VRARZDAQDOCOKA-ZIAGYGMSSA-N 0 3 310.344 3.207 20 30 DGEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(/C=C/C)cc1OC ZINC000046342249 545681812 /nfs/dbraw/zinc/68/18/12/545681812.db2.gz NCRVAZHKSDYFIX-DBWMJRBXSA-N 0 3 319.445 3.366 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000079081688 545756253 /nfs/dbraw/zinc/75/62/53/545756253.db2.gz QQUCFUXXUNXDCY-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CCC)CC1 ZINC000186014593 546191584 /nfs/dbraw/zinc/19/15/84/546191584.db2.gz HJCKAAOXRPQRLK-KRWDZBQOSA-N 0 3 307.482 3.391 20 30 DGEDHN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000328684560 546480900 /nfs/dbraw/zinc/48/09/00/546480900.db2.gz PTJLCEQIVREGCZ-JRPNMDOOSA-N 0 3 305.422 3.224 20 30 DGEDHN Cc1nc2c(cccc2C(=O)NCCN2CCCC[C@@H]2C)o1 ZINC000329949787 546493861 /nfs/dbraw/zinc/49/38/61/546493861.db2.gz MBKHICKFLWONEB-LBPRGKRZSA-N 0 3 301.390 3.315 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000381095036 546737662 /nfs/dbraw/zinc/73/76/62/546737662.db2.gz XYYUEPJDSLOSKP-WBVHZDCISA-N 0 3 313.445 3.096 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(F)c2SC)CC1 ZINC000667409767 547171803 /nfs/dbraw/zinc/17/18/03/547171803.db2.gz GKCMZGKOCOLTEM-UHFFFAOYSA-N 0 3 323.437 3.320 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cc(F)cc2C)CC1 ZINC000668369738 547446331 /nfs/dbraw/zinc/44/63/31/547446331.db2.gz DBQLUBQXCYUKQX-UHFFFAOYSA-N 0 3 304.409 3.213 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)ccc1OC ZINC000668554946 547478181 /nfs/dbraw/zinc/47/81/81/547478181.db2.gz RKHJKVCACONTIC-HUUCEWRRSA-N 0 3 319.445 3.099 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)[C@@](C)(CO)C2)ccc1OC ZINC000668737719 547525284 /nfs/dbraw/zinc/52/52/84/547525284.db2.gz BMWLWMZYJZFOQL-HNAYVOBHSA-N 0 3 319.445 3.100 20 30 DGEDHN CCC#C[C@H](C)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000670093173 547726061 /nfs/dbraw/zinc/72/60/61/547726061.db2.gz ONEKIJIBSRDEQQ-BEVDRBHNSA-N 0 3 312.457 3.365 20 30 DGEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCOC1 ZINC000674250849 548052053 /nfs/dbraw/zinc/05/20/53/548052053.db2.gz HWRFJDOLQICMGF-OAHLLOKOSA-N 0 3 311.347 3.415 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000678049997 548600933 /nfs/dbraw/zinc/60/09/33/548600933.db2.gz SGRUHYOAUZODPG-DZGCQCFKSA-N 0 3 306.475 3.138 20 30 DGEDHN C=C(C)[C@H](CO)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000678049147 548600977 /nfs/dbraw/zinc/60/09/77/548600977.db2.gz FTRNSSBHWNHRFU-DOMZBBRYSA-N 0 3 316.228 3.384 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678743272 548755478 /nfs/dbraw/zinc/75/54/78/548755478.db2.gz CNOXYOSJHWFZFQ-HNAYVOBHSA-N 0 3 312.413 3.248 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000678754006 548757529 /nfs/dbraw/zinc/75/75/29/548757529.db2.gz BLXSVTPVLYGZRW-GOEBONIOSA-N 0 3 307.434 3.462 20 30 DGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000678785656 548763034 /nfs/dbraw/zinc/76/30/34/548763034.db2.gz OUMQVDIWKRYHAS-HEHGZKQESA-N 0 3 300.402 3.249 20 30 DGEDHN C=CC[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000680485261 549059626 /nfs/dbraw/zinc/05/96/26/549059626.db2.gz XDLXRMLREIRVBJ-GOSISDBHSA-N 0 3 315.388 3.431 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000681623005 549231379 /nfs/dbraw/zinc/23/13/79/549231379.db2.gz VHWYTNFYDXKZAZ-HNNXBMFYSA-N 0 3 316.470 3.179 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000682429692 549322277 /nfs/dbraw/zinc/32/22/77/549322277.db2.gz YHFHJHFJJZHUSO-GOSISDBHSA-N 0 3 315.461 3.431 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685621778 549781570 /nfs/dbraw/zinc/78/15/70/549781570.db2.gz DCCVSVNVAUFKBI-SWLSCSKDSA-N 0 3 315.335 3.482 20 30 DGEDHN Fc1ccc(N=NC2CCN(CCc3ccccc3)CC2)nc1 ZINC000731318635 574546778 /nfs/dbraw/zinc/54/67/78/574546778.db2.gz JQOQIRYAQCREHP-UHFFFAOYSA-N 0 3 312.392 3.327 20 30 DGEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)c2nc3ccccc3[nH]2)C1 ZINC000733053119 574593324 /nfs/dbraw/zinc/59/33/24/574593324.db2.gz JQGFMSHTGCKWNT-RDBSUJKOSA-N 0 3 311.385 3.334 20 30 DGEDHN CC(C#N)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000736673155 574802385 /nfs/dbraw/zinc/80/23/85/574802385.db2.gz QMWFKKWLVPZDCN-AWEZNQCLSA-N 0 3 313.445 3.229 20 30 DGEDHN CCCCCCCCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000748435337 575586599 /nfs/dbraw/zinc/58/65/99/575586599.db2.gz QWQTUFKAZIGPRR-MRXNPFEDSA-N 0 3 300.512 3.291 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000740737757 574941142 /nfs/dbraw/zinc/94/11/42/574941142.db2.gz VQKVEMAYBSPHCV-UHFFFAOYSA-N 0 3 323.440 3.002 20 30 DGEDHN CCCCCCCCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000740877224 574945059 /nfs/dbraw/zinc/94/50/59/574945059.db2.gz HCVFGYDNFCOGLP-CYBMUJFWSA-N 0 3 308.388 3.442 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccco1 ZINC000744027806 575069177 /nfs/dbraw/zinc/06/91/77/575069177.db2.gz DUDIAJISFPNKBH-WDEREUQCSA-N 0 3 316.744 3.384 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3Cc4ccccc43)nc21 ZINC000744159533 575075277 /nfs/dbraw/zinc/07/52/77/575075277.db2.gz DOYVYDCLZNPLAG-CABCVRRESA-N 0 3 301.349 3.388 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CC[C@H](C)O3)nc21 ZINC000744159747 575075374 /nfs/dbraw/zinc/07/53/74/575075374.db2.gz DUTBGLLXONOXBV-BFHYXJOUSA-N 0 3 311.385 3.395 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CC[C@H](C)O3)[nH]c21 ZINC000744159747 575075377 /nfs/dbraw/zinc/07/53/77/575075377.db2.gz DUTBGLLXONOXBV-BFHYXJOUSA-N 0 3 311.385 3.395 20 30 DGEDHN N#Cc1cc(Cl)ccc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000729182358 575222898 /nfs/dbraw/zinc/22/28/98/575222898.db2.gz JSRXPDVBDPMKLL-MRXNPFEDSA-N 0 3 319.836 3.267 20 30 DGEDHN N#CC(C(=O)CCCn1cccn1)c1ccc2ccccc2n1 ZINC000729890629 575265456 /nfs/dbraw/zinc/26/54/56/575265456.db2.gz MGYUKAYDHMAYFV-HNNXBMFYSA-N 0 3 304.353 3.088 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(C)c(F)c2)CC1 ZINC000729942819 575267637 /nfs/dbraw/zinc/26/76/37/575267637.db2.gz SZPVAWOJFLMINS-UHFFFAOYSA-N 0 3 321.465 3.461 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCCCC(=O)OC(C)(C)C)cc1 ZINC000744450446 575343741 /nfs/dbraw/zinc/34/37/41/575343741.db2.gz VOUZEFJLFNWLLD-CQSZACIVSA-N 0 3 318.417 3.189 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@H](O)c2ccco2)ccc1OC ZINC000747099201 575495676 /nfs/dbraw/zinc/49/56/76/575495676.db2.gz ZAWNMDLFEQYVAL-OAHLLOKOSA-N 0 3 317.385 3.066 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)C#Cc1ccccc1)c1ccccc1 ZINC000747203475 575505539 /nfs/dbraw/zinc/50/55/39/575505539.db2.gz YHNSIDJVHLFXPM-FQEVSTJZSA-N 0 3 320.436 3.237 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)C[C@H]2C)cc1C ZINC000747531209 575523609 /nfs/dbraw/zinc/52/36/09/575523609.db2.gz SOZLTPNRNRKAHD-WMLDXEAASA-N 0 3 313.445 3.280 20 30 DGEDHN Clc1nccnc1N=NC1CCCC[C@@H]1N1CCCCC1 ZINC000748788996 575606938 /nfs/dbraw/zinc/60/69/38/575606938.db2.gz XEIGHBQLAIWFBW-ZDUSSCGKSA-N 0 3 307.829 3.326 20 30 DGEDHN CCN(CC)CC#C[C@H](C)OC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000748905397 575614160 /nfs/dbraw/zinc/61/41/60/575614160.db2.gz IGJVFVGMIRXXBT-XHSDSOJGSA-N 0 3 319.470 3.437 20 30 DGEDHN COc1ccc(CNCc2ccnc3ccccc23)cc1C#N ZINC000749111269 575627506 /nfs/dbraw/zinc/62/75/06/575627506.db2.gz ZXIVYDNSVNCVOZ-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(NCC#Cc2ccccc2)CC1 ZINC000749130448 575629022 /nfs/dbraw/zinc/62/90/22/575629022.db2.gz ZNBYUTTWKBAPOY-UHFFFAOYSA-N 0 3 314.429 3.027 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(C)C[C@H]1CCOC1 ZINC000749964555 575693928 /nfs/dbraw/zinc/69/39/28/575693928.db2.gz PNWWAWKPTXPJBI-CQSZACIVSA-N 0 3 317.458 3.240 20 30 DGEDHN C#CCCN1CCC(NC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC000750330252 575718722 /nfs/dbraw/zinc/71/87/22/575718722.db2.gz HBTAXLUVEWAVMY-KRWDZBQOSA-N 0 3 312.457 3.174 20 30 DGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cnn(C)c1 ZINC000750679500 575745088 /nfs/dbraw/zinc/74/50/88/575745088.db2.gz ASTBNLXUPYBWIJ-JQWIXIFHSA-N 0 3 310.382 3.010 20 30 DGEDHN CC(C)[C@H](C#N)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000751161275 575773411 /nfs/dbraw/zinc/77/34/11/575773411.db2.gz QEMTYRIEPSNXCN-KRWDZBQOSA-N 0 3 300.402 3.377 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000726438834 576023500 /nfs/dbraw/zinc/02/35/00/576023500.db2.gz XRUIEYHVRNCQSG-GOSISDBHSA-N 0 3 323.465 3.257 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000726461397 576025302 /nfs/dbraw/zinc/02/53/02/576025302.db2.gz ZLVNCAPJYKXIBK-LSDHHAIUSA-N 0 3 315.486 3.217 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCOC1)c1nc2ccccc2n1C(F)F ZINC000740535208 576197873 /nfs/dbraw/zinc/19/78/73/576197873.db2.gz LAVHIPCNDQTLQU-GHMZBOCLSA-N 0 3 319.311 3.034 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccccc1Cl ZINC000916872394 620648570 /nfs/dbraw/zinc/64/85/70/620648570.db2.gz BVXXOCRZQYCIOF-AWEZNQCLSA-N 0 3 320.820 3.288 20 30 DGEDHN N#CC(C(=O)Cc1ccsc1)C(=O)Nc1ccccc1Cl ZINC000916911733 620650100 /nfs/dbraw/zinc/65/01/00/620650100.db2.gz WUGUHXBUKCAAES-LLVKDONJSA-N 0 3 318.785 3.292 20 30 DGEDHN N#CC(C(=O)Cc1cccs1)C(=O)Nc1ccccc1Cl ZINC000916905561 620650103 /nfs/dbraw/zinc/65/01/03/620650103.db2.gz LOQZUNXTWYXUCD-LLVKDONJSA-N 0 3 318.785 3.292 20 30 DGEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096933 620656789 /nfs/dbraw/zinc/65/67/89/620656789.db2.gz KFGAXJUPPCQJDC-ZDUSSCGKSA-N 0 3 313.426 3.345 20 30 DGEDHN O=[N+]([O-])c1ccc(N=NC2CCCN3CCCC[C@H]23)c(F)c1 ZINC000853396227 620692229 /nfs/dbraw/zinc/69/22/29/620692229.db2.gz AYDLBXNTUQXHEJ-OAHLLOKOSA-N 0 3 306.341 3.150 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000919785169 620765853 /nfs/dbraw/zinc/76/58/53/620765853.db2.gz WXYQKTQALHEIQR-WMZOPIPTSA-N 0 3 315.461 3.428 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CC2)cc1 ZINC000892501592 618083987 /nfs/dbraw/zinc/08/39/87/618083987.db2.gz PFSFCTAJAGOKPA-BLLLJJGKSA-N 0 3 314.385 3.026 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000920040293 620778540 /nfs/dbraw/zinc/77/85/40/620778540.db2.gz OLGQFJWUHZLFGN-ROUUACIJSA-N 0 3 318.505 3.300 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@H](NCC#Cc2ccccc2)[C@H]1n1cccn1 ZINC000894758578 618448247 /nfs/dbraw/zinc/44/82/47/618448247.db2.gz KEVFSAWVYZORED-IPMKNSEASA-N 0 3 323.440 3.022 20 30 DGEDHN C#C[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000894793783 618462394 /nfs/dbraw/zinc/46/23/94/618462394.db2.gz IHIVKFWMHAKDAL-SJORKVTESA-N 0 3 319.832 3.332 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895338196 618597991 /nfs/dbraw/zinc/59/79/91/618597991.db2.gz PAHOFEGGBIRBFK-LBPRGKRZSA-N 0 3 306.362 3.097 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000788857626 625282523 /nfs/dbraw/zinc/28/25/23/625282523.db2.gz WMHQUYZVNVCABP-KFWWJZLASA-N 0 3 309.454 3.256 20 30 DGEDHN C=CC1CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000894018644 618693494 /nfs/dbraw/zinc/69/34/94/618693494.db2.gz APRCRNFHNIXTIZ-ZDUSSCGKSA-N 0 3 318.408 3.433 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000924926659 618740362 /nfs/dbraw/zinc/74/03/62/618740362.db2.gz MAECHYRQTQIHEG-SWLSCSKDSA-N 0 3 314.351 3.354 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000895524563 618795695 /nfs/dbraw/zinc/79/56/95/618795695.db2.gz OFSYRHAHFHIGAV-QGZVFWFLSA-N 0 3 304.434 3.159 20 30 DGEDHN N#CCCn1cc(CN2CCC(F)CC2)c(-c2ccccc2)n1 ZINC000895549550 618795949 /nfs/dbraw/zinc/79/59/49/618795949.db2.gz LESUTOFKZIJQBL-UHFFFAOYSA-N 0 3 312.392 3.398 20 30 DGEDHN C=CCC1(O)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000895834985 618839722 /nfs/dbraw/zinc/83/97/22/618839722.db2.gz VESJQOIGVFXSRK-NTCAYCPXSA-N 0 3 316.401 3.401 20 30 DGEDHN C=CCC1(O)CCN(Cc2cc(C)nc3c2CCCC3)CC1 ZINC000896059114 618868043 /nfs/dbraw/zinc/86/80/43/618868043.db2.gz VPNNWGWUQHKKTN-UHFFFAOYSA-N 0 3 300.446 3.172 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000897035828 619004606 /nfs/dbraw/zinc/00/46/06/619004606.db2.gz WQGKKLGXHDBQTH-HNNXBMFYSA-N 0 3 314.429 3.104 20 30 DGEDHN CC(C)(CCC#N)CN1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897319895 619055861 /nfs/dbraw/zinc/05/58/61/619055861.db2.gz DCVAPLAVOHXUOC-UHFFFAOYSA-N 0 3 310.401 3.466 20 30 DGEDHN C=CCN(C)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000898799940 619293591 /nfs/dbraw/zinc/29/35/91/619293591.db2.gz LZPQZXVKKRWOBR-UHFFFAOYSA-N 0 3 323.440 3.193 20 30 DGEDHN C[C@H](NCCNc1ccc(C#N)cn1)c1ccccc1Cl ZINC000927163556 619308466 /nfs/dbraw/zinc/30/84/66/619308466.db2.gz DXOAHNANFONUET-LBPRGKRZSA-N 0 3 300.793 3.369 20 30 DGEDHN C=CCCCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899049642 619309988 /nfs/dbraw/zinc/30/99/88/619309988.db2.gz XEGCMTGKBVWWPY-UHFFFAOYSA-N 0 3 306.797 3.006 20 30 DGEDHN CC(C)(C#N)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900836092 619456682 /nfs/dbraw/zinc/45/66/82/619456682.db2.gz OJADLXUEWIFFDK-UHFFFAOYSA-N 0 3 321.424 3.032 20 30 DGEDHN C=CC(C)(C)CC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000900959373 619463391 /nfs/dbraw/zinc/46/33/91/619463391.db2.gz XHACQRWBWVUSHW-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN C[C@@H]1CC(NN=C2CCCCc3ccc(N)cc32)C[C@@H](C)O1 ZINC000901302210 619483038 /nfs/dbraw/zinc/48/30/38/619483038.db2.gz JVEBKHLMLZJSAK-CHWSQXEVSA-N 0 3 301.434 3.245 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC000901679758 619532522 /nfs/dbraw/zinc/53/25/22/619532522.db2.gz PYYOEEPWJMSKCS-PVAVHDDUSA-N 0 3 308.466 3.039 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902318048 619614387 /nfs/dbraw/zinc/61/43/87/619614387.db2.gz GFMVMZVJUFBJQK-RYQLBKOJSA-N 0 3 314.404 3.282 20 30 DGEDHN C[C@H](C[C@@H](O)c1cccs1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902848949 619683696 /nfs/dbraw/zinc/68/36/96/619683696.db2.gz ZDNXZJFNQMWLTE-TYNCELHUSA-N 0 3 301.415 3.178 20 30 DGEDHN C[C@H](NCC1([C@@H](O)c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902886953 619688497 /nfs/dbraw/zinc/68/84/97/619688497.db2.gz XLGNZBSMZWWHRB-KSSFIOAISA-N 0 3 307.397 3.118 20 30 DGEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902889260 619689018 /nfs/dbraw/zinc/68/90/18/619689018.db2.gz FYNCHYUVKWRLCA-FNHZYXHNSA-N 0 3 306.413 3.049 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)c1ccccc1Cl)c1cc(C#N)ccn1 ZINC000902954280 619696950 /nfs/dbraw/zinc/69/69/50/619696950.db2.gz UPBZHTDXSYYIGG-SJKOYZFVSA-N 0 3 315.804 3.165 20 30 DGEDHN C[C@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1cc(C#N)ccn1 ZINC000902954119 619697018 /nfs/dbraw/zinc/69/70/18/619697018.db2.gz QOWGXZKQCKDGIM-YVEFUNNKSA-N 0 3 315.804 3.165 20 30 DGEDHN CC[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1cccc(C#N)c1 ZINC000902992576 619700652 /nfs/dbraw/zinc/70/06/52/619700652.db2.gz BHRCHSMOJKXNAT-LNLFQRSKSA-N 0 3 308.381 3.094 20 30 DGEDHN CC[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1cccc(C#N)c1 ZINC000902992578 619700862 /nfs/dbraw/zinc/70/08/62/619700862.db2.gz BHRCHSMOJKXNAT-YQVWRLOYSA-N 0 3 308.381 3.094 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NCC(C)(C)C#N ZINC000903100178 619716211 /nfs/dbraw/zinc/71/62/11/619716211.db2.gz IVSHXRRWEXLXES-UONOGXRCSA-N 0 3 309.454 3.352 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc3c(c2)ncn3C)cc1 ZINC000903204658 619736523 /nfs/dbraw/zinc/73/65/23/619736523.db2.gz SWKIWGYIJQVTIQ-HNNXBMFYSA-N 0 3 319.408 3.436 20 30 DGEDHN CC1/C(=C/c2cccc(OC3CCCC3)c2)C(=O)c2ncnn21 ZINC000905082004 619968318 /nfs/dbraw/zinc/96/83/18/619968318.db2.gz VAYLJEVBJSRBSN-YUSFRKCESA-N 0 3 309.369 3.440 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(CN(C)C)c1 ZINC000906085367 620055817 /nfs/dbraw/zinc/05/58/17/620055817.db2.gz LRARUEPWXJTKDU-UHFFFAOYSA-N 0 3 321.424 3.418 20 30 DGEDHN C#CCCOC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000908215583 620194380 /nfs/dbraw/zinc/19/43/80/620194380.db2.gz DTLDRWURDQVNSN-UHFFFAOYSA-N 0 3 322.408 3.115 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1C ZINC000912012928 620359529 /nfs/dbraw/zinc/35/95/29/620359529.db2.gz JWWNCNQBYUCEDI-GFCCVEGCSA-N 0 3 311.223 3.380 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000912114606 620366384 /nfs/dbraw/zinc/36/63/84/620366384.db2.gz DSFRGDFGUZVHJC-IAGOWNOFSA-N 0 3 304.434 3.192 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1C(F)(F)F ZINC000912239709 620373874 /nfs/dbraw/zinc/37/38/74/620373874.db2.gz QCGBULJFTAAJOX-ZDUSSCGKSA-N 0 3 300.324 3.005 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000912389653 620383919 /nfs/dbraw/zinc/38/39/19/620383919.db2.gz ZNXVMYDQKQPHDX-GDBMZVCRSA-N 0 3 304.434 3.335 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@H](C)N1CCc2ccccc2C1 ZINC000914558463 620541827 /nfs/dbraw/zinc/54/18/27/620541827.db2.gz VZRSCJSZVUEQAM-PCXKXAPESA-N 0 3 324.424 3.267 20 30 DGEDHN CCCCCCCCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000914879179 620559329 /nfs/dbraw/zinc/55/93/29/620559329.db2.gz AXSNUNGDWUZSFC-GOSISDBHSA-N 0 3 324.509 3.450 20 30 DGEDHN C#CCN(C(=O)N[C@H](CC)C1CCCCC1)C1CCN(C)CC1 ZINC000915929269 620607440 /nfs/dbraw/zinc/60/74/40/620607440.db2.gz IDHLLBGMGHJPEX-GOSISDBHSA-N 0 3 319.493 3.084 20 30 DGEDHN C[C@H]1CC(N=Nc2ccc(Br)c(F)c2)CN1C ZINC000769827483 620887984 /nfs/dbraw/zinc/88/79/84/620887984.db2.gz AAGYOMRWPKNNOY-QMMMGPOBSA-N 0 3 300.175 3.080 20 30 DGEDHN N#Cc1cc(CNCCc2nc(C(F)(F)F)cs2)cs1 ZINC000921806325 620951883 /nfs/dbraw/zinc/95/18/83/620951883.db2.gz VEBJIHRFXSWKBT-UHFFFAOYSA-N 0 3 317.361 3.427 20 30 DGEDHN C=CCC[C@H](NCc1c2c(nn1C)CCOC2)c1ccccc1 ZINC000921918137 620968674 /nfs/dbraw/zinc/96/86/74/620968674.db2.gz RNBXIDNSEAQRLD-KRWDZBQOSA-N 0 3 311.429 3.290 20 30 DGEDHN CC[C@](C)(CNCc1cc(C#N)ccc1Br)OC ZINC000922160028 620997257 /nfs/dbraw/zinc/99/72/57/620997257.db2.gz SUTUYWWPFHOVCN-CQSZACIVSA-N 0 3 311.223 3.225 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NCc1nc(Br)c[nH]1 ZINC000922185089 621002571 /nfs/dbraw/zinc/00/25/71/621002571.db2.gz VBLUFSYDLXHVOM-ZDUSSCGKSA-N 0 3 320.234 3.449 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1cc2c([nH]c1=O)CCCC2 ZINC000922319869 621024320 /nfs/dbraw/zinc/02/43/20/621024320.db2.gz JRHAKIYIPVRHJS-UHFFFAOYSA-N 0 3 321.424 3.444 20 30 DGEDHN N#CC1(c2ccc(CN[C@H]3c4ccccc4CC[C@H]3O)cc2)CC1 ZINC000922989415 621144636 /nfs/dbraw/zinc/14/46/36/621144636.db2.gz MCBDLAPCCJCGBX-UXHICEINSA-N 0 3 318.420 3.380 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2ccccc2s1 ZINC000859248987 621264820 /nfs/dbraw/zinc/26/48/20/621264820.db2.gz OSRWJRZTSMBAHO-NEPJUHHUSA-N 0 3 301.415 3.002 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cccc1C(C)C ZINC000838623998 621267597 /nfs/dbraw/zinc/26/75/97/621267597.db2.gz BFCZFZRGTUEHQF-UHFFFAOYSA-N 0 3 301.434 3.195 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000838864878 621292630 /nfs/dbraw/zinc/29/26/30/621292630.db2.gz JBPUKBMHBNPRAL-KGLIPLIRSA-N 0 3 322.355 3.002 20 30 DGEDHN C[C@@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCCO1 ZINC000838965026 621307347 /nfs/dbraw/zinc/30/73/47/621307347.db2.gz OSUXTYKEFMASGJ-FZMZJTMJSA-N 0 3 312.291 3.236 20 30 DGEDHN Cc1ccc(OCCN2CCc3c(CC#N)cccc3C2)cc1 ZINC000860104849 621366743 /nfs/dbraw/zinc/36/67/43/621366743.db2.gz CFNKOHLVODCSEI-UHFFFAOYSA-N 0 3 306.409 3.498 20 30 DGEDHN N#CCc1cccc2c1CCN(CC[C@@H](O)c1ccccc1)C2 ZINC000860109169 621367343 /nfs/dbraw/zinc/36/73/43/621367343.db2.gz OBKGXXYMSKDLIU-HXUWFJFHSA-N 0 3 306.409 3.234 20 30 DGEDHN Cc1ccc(CO[C@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000860466145 621407965 /nfs/dbraw/zinc/40/79/65/621407965.db2.gz QBBPUFNWFUWIJX-PBHICJAKSA-N 0 3 323.396 3.183 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)c2ccco2)c1 ZINC000860691014 621432748 /nfs/dbraw/zinc/43/27/48/621432748.db2.gz IPXXEHUEGOIGQR-ZBFHGGJFSA-N 0 3 324.380 3.107 20 30 DGEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C(C)C ZINC000860780040 621442262 /nfs/dbraw/zinc/44/22/62/621442262.db2.gz QRFADSLIBIDVTK-FZMZJTMJSA-N 0 3 314.307 3.338 20 30 DGEDHN CC(C)N1CC(N=Nc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000754261409 621499384 /nfs/dbraw/zinc/49/93/84/621499384.db2.gz WWMWVABFJLENII-SNVBAGLBSA-N 0 3 300.328 3.228 20 30 DGEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000756234474 621622594 /nfs/dbraw/zinc/62/25/94/621622594.db2.gz USHJBJOJBYEWDX-BBRMVZONSA-N 0 3 324.380 3.160 20 30 DGEDHN COc1ccc(C(C)=Nn2cccn2)cc1CN1CCCCC1 ZINC000863166301 621644724 /nfs/dbraw/zinc/64/47/24/621644724.db2.gz XFOYNJZPDQXKAA-UHFFFAOYSA-N 0 3 312.417 3.150 20 30 DGEDHN C#CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000805112256 621694497 /nfs/dbraw/zinc/69/44/97/621694497.db2.gz IPLFFFSKIPOZBP-MRXNPFEDSA-N 0 3 321.852 3.045 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc(Cl)cs1 ZINC000759431704 621858297 /nfs/dbraw/zinc/85/82/97/621858297.db2.gz NRWDRNYXYSZWDO-NSHDSACASA-N 0 3 304.758 3.363 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)C[C@H]2CCOC2)c([O-])c1 ZINC000759643998 621878241 /nfs/dbraw/zinc/87/82/41/621878241.db2.gz QBGHMBNEUQMDBE-AQTHXTHPSA-N 0 3 304.434 3.472 20 30 DGEDHN Cc1cc(OCC(=O)C(C#N)c2ccncn2)cc(C)c1Cl ZINC000760340722 621933392 /nfs/dbraw/zinc/93/33/92/621933392.db2.gz NSUIODRCOSFJEY-CYBMUJFWSA-N 0 3 315.760 3.002 20 30 DGEDHN Cc1ccc(C(C)C)cc1OCC(=O)C(C#N)c1ccncn1 ZINC000760351386 621934334 /nfs/dbraw/zinc/93/43/34/621934334.db2.gz FOWCFMLSHFKFNS-HNNXBMFYSA-N 0 3 309.369 3.164 20 30 DGEDHN CC1(c2ccc(CNCc3ccc(C#N)cc3)cc2)OCCO1 ZINC000865669905 621974893 /nfs/dbraw/zinc/97/48/93/621974893.db2.gz MKVDBXYJSINLCX-UHFFFAOYSA-N 0 3 308.381 3.068 20 30 DGEDHN Cc1cc2c(CCNCc3nc(C#N)cs3)c[nH]c2cc1F ZINC000865743154 621986914 /nfs/dbraw/zinc/98/69/14/621986914.db2.gz KFPAESOVECHFFE-UHFFFAOYSA-N 0 3 314.389 3.276 20 30 DGEDHN CCn1nc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c2ccccc21 ZINC000865848579 622007337 /nfs/dbraw/zinc/00/73/37/622007337.db2.gz UPMURSBJVAIIJK-QGZVFWFLSA-N 0 3 316.408 3.185 20 30 DGEDHN C[C@H]([NH2+]CCCN1CCC(C)CC1)c1cccc(C#N)c1[O-] ZINC000866217784 622068303 /nfs/dbraw/zinc/06/83/03/622068303.db2.gz HJFRDJPSWUABRW-HNNXBMFYSA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866392739 622109971 /nfs/dbraw/zinc/10/99/71/622109971.db2.gz GHTMHCOMFQEWDF-GOEBONIOSA-N 0 3 313.445 3.036 20 30 DGEDHN COc1ccc(Cl)cc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000763232365 622131861 /nfs/dbraw/zinc/13/18/61/622131861.db2.gz UOYHOVYTKCKZAH-MRXNPFEDSA-N 0 3 316.788 3.043 20 30 DGEDHN C[C@H](NCC(=O)NCCC#N)c1ccc(Cl)c2ccccc21 ZINC000765067093 622243520 /nfs/dbraw/zinc/24/35/20/622243520.db2.gz LBONGHOTUCSZOF-LBPRGKRZSA-N 0 3 315.804 3.174 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765242781 622253455 /nfs/dbraw/zinc/25/34/55/622253455.db2.gz MLNPMQNSTBCZFQ-PKOBYXMFSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2c(C)nn(CC)c2C)cc1 ZINC000765658045 622280374 /nfs/dbraw/zinc/28/03/74/622280374.db2.gz FLCHNRSZUSZHCH-AWEZNQCLSA-N 0 3 311.429 3.383 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C)c(C#N)c1 ZINC000868817146 622289084 /nfs/dbraw/zinc/28/90/84/622289084.db2.gz SNPXWAQCOPBZAN-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000765893756 622293254 /nfs/dbraw/zinc/29/32/54/622293254.db2.gz RERNYQZYLLBLHG-SJLPKXTDSA-N 0 3 315.461 3.113 20 30 DGEDHN CCN1C[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C[C@@H]1C ZINC000766254949 622315871 /nfs/dbraw/zinc/31/58/71/622315871.db2.gz VFBRMTLEULBAJS-KBPBESRZSA-N 0 3 321.852 3.157 20 30 DGEDHN CC(C)CN(Cn1cc2c(c(C#N)c1=O)CCC2)CC(C)(C)C ZINC000766633602 622343782 /nfs/dbraw/zinc/34/37/82/622343782.db2.gz RIKVQKVNVMDITK-UHFFFAOYSA-N 0 3 315.461 3.170 20 30 DGEDHN N#CCOc1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806145096 622427901 /nfs/dbraw/zinc/42/79/01/622427901.db2.gz CNXYYUWHOINYHM-HNNXBMFYSA-N 0 3 313.788 3.414 20 30 DGEDHN CCOC1CC2(C[C@@H]2C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000870162904 622437854 /nfs/dbraw/zinc/43/78/54/622437854.db2.gz PYNSMRNAXQJVJR-NKXNIHSHSA-N 0 3 310.353 3.209 20 30 DGEDHN CCOC(C)(C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000870379373 622463059 /nfs/dbraw/zinc/46/30/59/622463059.db2.gz RXXGNLKLFDRJFG-SNVBAGLBSA-N 0 3 300.280 3.092 20 30 DGEDHN C=C(C)CNC(=S)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000768783600 622476631 /nfs/dbraw/zinc/47/66/31/622476631.db2.gz FJBVRHWKHGNVHS-QGZVFWFLSA-N 0 3 319.518 3.183 20 30 DGEDHN Cc1cc(CNC/C=C/CNC(=O)OC(C)(C)C)ccc1C#N ZINC000789867136 625573624 /nfs/dbraw/zinc/57/36/24/625573624.db2.gz YWMVXHDGBHIAEA-AATRIKPKSA-N 0 3 315.417 3.037 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1)C(=O)Nc1ccc(C)cc1 ZINC000871869717 622723848 /nfs/dbraw/zinc/72/38/48/622723848.db2.gz AAAFTSZDWDFZPC-GOSISDBHSA-N 0 3 307.397 3.374 20 30 DGEDHN N#Cc1cccc(C(=O)OCC2CCN(Cc3ccco3)CC2)c1 ZINC000772698597 622930143 /nfs/dbraw/zinc/93/01/43/622930143.db2.gz MOHQREAHQMMJRW-UHFFFAOYSA-N 0 3 324.380 3.220 20 30 DGEDHN C#CC[C@H](N[C@H](C)c1cccc(-n2cnnn2)c1)c1ccccc1 ZINC000773118449 622986891 /nfs/dbraw/zinc/98/68/91/622986891.db2.gz ZRNIMONSYKUBCI-BEFAXECRSA-N 0 3 317.396 3.078 20 30 DGEDHN Cc1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)ccc1C#N ZINC000774862073 623201033 /nfs/dbraw/zinc/20/10/33/623201033.db2.gz IEAHPFHSYDPPRM-IBGZPJMESA-N 0 3 314.429 3.027 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775229108 623243471 /nfs/dbraw/zinc/24/34/71/623243471.db2.gz ZIMBXZWOCSLKJV-INIZCTEOSA-N 0 3 310.353 3.041 20 30 DGEDHN C[C@H](NC[C@H](O)c1cc(F)ccc1F)c1cccc(C#N)c1 ZINC000775338889 623256062 /nfs/dbraw/zinc/25/60/62/623256062.db2.gz UIVRTOJKPKBOSV-GTNSWQLSSA-N 0 3 302.324 3.221 20 30 DGEDHN C=C(CC)CN[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775359303 623259619 /nfs/dbraw/zinc/25/96/19/623259619.db2.gz WODOCYYGRIMNBZ-AWEZNQCLSA-N 0 3 306.425 3.404 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775399437 623268984 /nfs/dbraw/zinc/26/89/84/623268984.db2.gz HFZWWNDSJONVRX-QZTJIDSGSA-N 0 3 301.336 3.352 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000775412931 623272222 /nfs/dbraw/zinc/27/22/22/623272222.db2.gz SHDFZPPLNZQTRO-RBSFLKMASA-N 0 3 308.447 3.167 20 30 DGEDHN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000775981783 623360037 /nfs/dbraw/zinc/36/00/37/623360037.db2.gz MPKWPXHAOPOAIS-KDOFPFPSSA-N 0 3 321.465 3.353 20 30 DGEDHN Cc1ccc(NC2CCN([C@H](C)c3ccncc3)CC2)c(C#N)n1 ZINC000882124579 625641248 /nfs/dbraw/zinc/64/12/48/625641248.db2.gz YEKGJSADYMLVLQ-OAHLLOKOSA-N 0 3 321.428 3.294 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1Cl ZINC000776180690 623391475 /nfs/dbraw/zinc/39/14/75/623391475.db2.gz OYPFZEPWBAOLQD-UHFFFAOYSA-N 0 3 319.752 3.155 20 30 DGEDHN C#CCN1CCC(C(=O)NC2CC(C)(C)CC(C)(C)C2)CC1 ZINC000777205877 623505161 /nfs/dbraw/zinc/50/51/61/623505161.db2.gz JICMDIYJBJGFJY-UHFFFAOYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000790483499 625659781 /nfs/dbraw/zinc/65/97/81/625659781.db2.gz GTAIRSRVMQOCQE-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCCc1c[nH]nc1C ZINC000778155571 623616793 /nfs/dbraw/zinc/61/67/93/623616793.db2.gz DXGYLGZQXDGBNX-UHFFFAOYSA-N 0 3 317.820 3.106 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCOC(C)(C)C1 ZINC000778172118 623619634 /nfs/dbraw/zinc/61/96/34/623619634.db2.gz WLAUJVXDYXDZNY-ZDUSSCGKSA-N 0 3 307.821 3.399 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(O)[C@@H](C)CC ZINC000778170084 623619646 /nfs/dbraw/zinc/61/96/46/623619646.db2.gz JPQFGWSWPBRODE-SUMWQHHRSA-N 0 3 309.837 3.239 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1ccncc1 ZINC000778173601 623620688 /nfs/dbraw/zinc/62/06/88/623620688.db2.gz MDLGQPNISGSNPN-UHFFFAOYSA-N 0 3 300.789 3.079 20 30 DGEDHN CCOC(=O)N1CCC(C)(CN(CCC#N)CC(C)C)CC1 ZINC000876531025 623634687 /nfs/dbraw/zinc/63/46/87/623634687.db2.gz YFRHUOBRLXSHIU-UHFFFAOYSA-N 0 3 309.454 3.117 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(Br)c1C ZINC000876576009 623649798 /nfs/dbraw/zinc/64/97/98/623649798.db2.gz AUVLAASBSUYQKS-SNVBAGLBSA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000876587884 623652373 /nfs/dbraw/zinc/65/23/73/623652373.db2.gz BHGSENSCEZUOHZ-GXFFZTMASA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccccc1OCC ZINC000876591165 623654004 /nfs/dbraw/zinc/65/40/04/623654004.db2.gz IJFIVVVDUCQFFB-UONOGXRCSA-N 0 3 310.825 3.123 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000876592545 623654633 /nfs/dbraw/zinc/65/46/33/623654633.db2.gz TWUYOUDXXVQYGH-KBPBESRZSA-N 0 3 313.228 3.473 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccc(Cl)cc1 ZINC000876593926 623654762 /nfs/dbraw/zinc/65/47/62/623654762.db2.gz NDKWPZMCBHLLNO-CYBMUJFWSA-N 0 3 301.217 3.158 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1cccc(Cl)c1 ZINC000876594960 623654911 /nfs/dbraw/zinc/65/49/11/623654911.db2.gz XNDCESYQFHRFNH-CYBMUJFWSA-N 0 3 301.217 3.158 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000876596941 623655843 /nfs/dbraw/zinc/65/58/43/623655843.db2.gz ACBFKCFHOAIPFO-NSHDSACASA-N 0 3 305.765 3.114 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000876601835 623657480 /nfs/dbraw/zinc/65/74/80/623657480.db2.gz CDLJUJQXFTZBPU-HNNXBMFYSA-N 0 3 324.827 3.224 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000876610663 623659368 /nfs/dbraw/zinc/65/93/68/623659368.db2.gz HFTHYPKZZJASBG-JKSUJKDBSA-N 0 3 304.821 3.135 20 30 DGEDHN C#CCNC(=O)C1CCN(C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000876633955 623664580 /nfs/dbraw/zinc/66/45/80/623664580.db2.gz IJEFGKXLKLASRR-VOTSOKGWSA-N 0 3 324.468 3.086 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000876647941 623670517 /nfs/dbraw/zinc/67/05/17/623670517.db2.gz SGVSZMYSARCVBY-NSHDSACASA-N 0 3 322.714 3.018 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000876666958 623675290 /nfs/dbraw/zinc/67/52/90/623675290.db2.gz ZLUMLTFNJHHOKY-GJZGRUSLSA-N 0 3 324.877 3.081 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccc(F)cc1F ZINC000876673529 623677898 /nfs/dbraw/zinc/67/78/98/623677898.db2.gz OAOPRBPBSLRMRT-CHWSQXEVSA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000876677321 623678563 /nfs/dbraw/zinc/67/85/63/623678563.db2.gz LTKJLEAWEAONDX-LBPRGKRZSA-N 0 3 312.772 3.023 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(C)c(C)c1)C1CC1 ZINC000876675432 623678630 /nfs/dbraw/zinc/67/86/30/623678630.db2.gz AQQXHRBQUWSEFF-INIZCTEOSA-N 0 3 306.837 3.264 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000876678165 623679120 /nfs/dbraw/zinc/67/91/20/623679120.db2.gz HNPMIGDQQMCJLI-LLVKDONJSA-N 0 3 306.715 3.200 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](CC)Cc1ccccc1 ZINC000876688111 623682336 /nfs/dbraw/zinc/68/23/36/623682336.db2.gz QDVXJOLOUDRIGT-CVEARBPZSA-N 0 3 308.853 3.326 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000876686887 623682340 /nfs/dbraw/zinc/68/23/40/623682340.db2.gz JSOHNXBBXKENDP-LKTVYLICSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000876690940 623683072 /nfs/dbraw/zinc/68/30/72/623683072.db2.gz VOOSECMWTGHCSM-ZFWWWQNUSA-N 0 3 324.877 3.097 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(F)cc1C ZINC000778995948 623717941 /nfs/dbraw/zinc/71/79/41/623717941.db2.gz GJTOLKKECJSGAA-GOSISDBHSA-N 0 3 303.377 3.491 20 30 DGEDHN C#CCNC(=O)CCNC(c1cccc(C)c1)c1cccc(C)c1 ZINC000779043814 623723788 /nfs/dbraw/zinc/72/37/88/623723788.db2.gz VEIWYFHEVTZTFB-UHFFFAOYSA-N 0 3 320.436 3.122 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccccc1C#N ZINC000779123117 623732819 /nfs/dbraw/zinc/73/28/19/623732819.db2.gz WXFJVTKXEPBWSR-UHFFFAOYSA-N 0 3 300.402 3.254 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000876880468 623734077 /nfs/dbraw/zinc/73/40/77/623734077.db2.gz JQHGCDDOUSHUTE-SJORKVTESA-N 0 3 320.864 3.470 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@H]1C[C@H](C)O ZINC000779158697 623736114 /nfs/dbraw/zinc/73/61/14/623736114.db2.gz WZFZEYLOAMKNQT-UONOGXRCSA-N 0 3 307.821 3.087 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000876904259 623741016 /nfs/dbraw/zinc/74/10/16/623741016.db2.gz XEESXHFTVQJKMB-HFAKWTLXSA-N 0 3 310.800 3.130 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC000876949135 623751916 /nfs/dbraw/zinc/75/19/16/623751916.db2.gz SOIOSKVICDPUPD-GDBMZVCRSA-N 0 3 324.827 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccc(OC)c1)CC(C)C ZINC000876986831 623759567 /nfs/dbraw/zinc/75/95/67/623759567.db2.gz MQTNEHANFUVOMM-INIZCTEOSA-N 0 3 324.852 3.150 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C12CCCC2 ZINC000877070364 623783481 /nfs/dbraw/zinc/78/34/81/623783481.db2.gz NRTOCILYKYIQHK-LSDHHAIUSA-N 0 3 319.836 3.434 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCC[C@@H]2CCCC[C@H]2O)c1 ZINC000877098017 623791348 /nfs/dbraw/zinc/79/13/48/623791348.db2.gz IZHNZZSBDKFSEX-DZGCQCFKSA-N 0 3 307.825 3.028 20 30 DGEDHN CN(C)[C@H](CNCc1cc(C#N)cnc1Cl)c1cccs1 ZINC000877142771 623804689 /nfs/dbraw/zinc/80/46/89/623804689.db2.gz WALLSZYIFKFWDV-CYBMUJFWSA-N 0 3 320.849 3.061 20 30 DGEDHN CCc1ccc(N(CC2CC2)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000877143994 623805931 /nfs/dbraw/zinc/80/59/31/623805931.db2.gz DJXNLPZZGMVSGQ-SFHVURJKSA-N 0 3 313.445 3.403 20 30 DGEDHN C[C@H](CCC#N)CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000877435311 623879477 /nfs/dbraw/zinc/87/94/77/623879477.db2.gz DBNVUJMPFXWAEX-CYBMUJFWSA-N 0 3 308.372 3.188 20 30 DGEDHN C#CCCCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000780329133 623912268 /nfs/dbraw/zinc/91/22/68/623912268.db2.gz YRQOMXZMTDNGKE-UHFFFAOYSA-N 0 3 312.457 3.305 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(c2cccnc2)CC1 ZINC000877525100 623923061 /nfs/dbraw/zinc/92/30/61/623923061.db2.gz QLRSMNNGEOIKDK-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN N#CCOc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1 ZINC000780522408 623943451 /nfs/dbraw/zinc/94/34/51/623943451.db2.gz FYIPLGKGOHSSFX-UHFFFAOYSA-N 0 3 324.409 3.330 20 30 DGEDHN C#CC1CCN(Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000877606914 623960229 /nfs/dbraw/zinc/96/02/29/623960229.db2.gz PGGSFHSNBWYOJH-UHFFFAOYSA-N 0 3 315.367 3.211 20 30 DGEDHN CC(C)(C)OC(=O)NCC1(CNCC2(C#N)CCCC2)CCC1 ZINC000877609131 623961411 /nfs/dbraw/zinc/96/14/11/623961411.db2.gz IEVRIDJUMSXNOH-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000877615518 623962845 /nfs/dbraw/zinc/96/28/45/623962845.db2.gz VPCAQYCFGHDYNU-MRXNPFEDSA-N 0 3 305.372 3.245 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000877700499 623996173 /nfs/dbraw/zinc/99/61/73/623996173.db2.gz AZVOUWCESWHGRR-LSDHHAIUSA-N 0 3 305.809 3.044 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000877700496 623996226 /nfs/dbraw/zinc/99/62/26/623996226.db2.gz AZVOUWCESWHGRR-CABCVRRESA-N 0 3 305.809 3.044 20 30 DGEDHN CCCn1nc(C)c(CN(C)CCc2cccc(C#N)c2)c1C ZINC000877704847 623998207 /nfs/dbraw/zinc/99/82/07/623998207.db2.gz WOIFODRGQBERHQ-UHFFFAOYSA-N 0 3 310.445 3.456 20 30 DGEDHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000781422943 624070036 /nfs/dbraw/zinc/07/00/36/624070036.db2.gz ROUZJOMEWCDQMK-OCCSQVGLSA-N 0 3 304.365 3.034 20 30 DGEDHN C=CC[C@H](C)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000878136957 624183889 /nfs/dbraw/zinc/18/38/89/624183889.db2.gz LPVWOZLQSQHFLP-LSDHHAIUSA-N 0 3 323.506 3.323 20 30 DGEDHN C=CC[C@H](C)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000878136955 624184153 /nfs/dbraw/zinc/18/41/53/624184153.db2.gz LPVWOZLQSQHFLP-GJZGRUSLSA-N 0 3 323.506 3.323 20 30 DGEDHN COC(=O)c1ccc(N=NC2CN(C3CC3)C[C@H]2C)cc1Cl ZINC000782237797 624225249 /nfs/dbraw/zinc/22/52/49/624225249.db2.gz JGHZAWJWGFFWFG-SNVBAGLBSA-N 0 3 321.808 3.009 20 30 DGEDHN C[C@@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(C#N)cc1F ZINC000878407095 624269673 /nfs/dbraw/zinc/26/96/73/624269673.db2.gz KMNNTWMEYVJHMW-UKRRQHHQSA-N 0 3 318.392 3.076 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CC3(CC#N)CC3)CC[C@@H]21 ZINC000878644462 624329240 /nfs/dbraw/zinc/32/92/40/624329240.db2.gz WHDJIWMDVKKRJL-GJZGRUSLSA-N 0 3 319.449 3.012 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCCCS1 ZINC000783351098 624339700 /nfs/dbraw/zinc/33/97/00/624339700.db2.gz TWLIRYHBQSNQPA-OLZOCXBDSA-N 0 3 322.817 3.273 20 30 DGEDHN C#CC[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878760264 624355282 /nfs/dbraw/zinc/35/52/82/624355282.db2.gz HKJSMLGGKUUZOJ-UYAOXDASSA-N 0 3 308.425 3.162 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)o1 ZINC000878766529 624356432 /nfs/dbraw/zinc/35/64/32/624356432.db2.gz ZIJVAHVTWFLTTR-RBUKOAKNSA-N 0 3 310.397 3.109 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](c3ccc4cccnc4n3)C2)o1 ZINC000878905237 624385063 /nfs/dbraw/zinc/38/50/63/624385063.db2.gz REPBYNCCOAPINN-AWEZNQCLSA-N 0 3 304.353 3.084 20 30 DGEDHN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H]1C#N ZINC000879307750 624492352 /nfs/dbraw/zinc/49/23/52/624492352.db2.gz CLAYVJKQZJNBNT-JKSUJKDBSA-N 0 3 321.465 3.258 20 30 DGEDHN CCOC(=O)[C@@H]1CN(CCCCC(C)(C)C#N)CCC1(F)F ZINC000879368906 624519063 /nfs/dbraw/zinc/51/90/63/624519063.db2.gz XKXKAGNJZMLTNK-ZDUSSCGKSA-N 0 3 316.392 3.227 20 30 DGEDHN COC(=O)c1ccc([C@H](C)N(C)CCc2cccc(C#N)c2)o1 ZINC000879434950 624546844 /nfs/dbraw/zinc/54/68/44/624546844.db2.gz RFCCJSGLRIMLML-ZDUSSCGKSA-N 0 3 312.369 3.173 20 30 DGEDHN C[C@@]1(NCc2cc(Cl)ccc2OCC#N)CCO[C@@H]1C1CC1 ZINC000784587818 624553949 /nfs/dbraw/zinc/55/39/49/624553949.db2.gz IITYPPHBTFFIBL-IAGOWNOFSA-N 0 3 320.820 3.290 20 30 DGEDHN N#Cc1cc(Cl)ccc1COC(=O)C1CCN(C2CC2)CC1 ZINC000784676863 624570160 /nfs/dbraw/zinc/57/01/60/624570160.db2.gz VOENKRLBUMRCQC-UHFFFAOYSA-N 0 3 318.804 3.129 20 30 DGEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC000879734493 624657655 /nfs/dbraw/zinc/65/76/55/624657655.db2.gz JNGYAXOZKLHYOT-MRXNPFEDSA-N 0 3 315.373 3.048 20 30 DGEDHN N#Cc1csc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000785613828 624701076 /nfs/dbraw/zinc/70/10/76/624701076.db2.gz DKLZWAHEAPPNGD-CQSZACIVSA-N 0 3 310.781 3.235 20 30 DGEDHN COc1ccccc1[C@H]1CSCCCN1CCO[C@@H](C)C#N ZINC000880175608 624820592 /nfs/dbraw/zinc/82/05/92/624820592.db2.gz BKGGKBRIBIIDEQ-GOEBONIOSA-N 0 3 320.458 3.104 20 30 DGEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786541046 624914963 /nfs/dbraw/zinc/91/49/63/624914963.db2.gz OAJBSEMIVPHPGJ-HOCLYGCPSA-N 0 3 324.380 3.025 20 30 DGEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786541049 624915133 /nfs/dbraw/zinc/91/51/33/624915133.db2.gz OAJBSEMIVPHPGJ-ZBFHGGJFSA-N 0 3 324.380 3.025 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CSC(C)C)c1ccccc1 ZINC000787044104 624973849 /nfs/dbraw/zinc/97/38/49/624973849.db2.gz FEOBUWYREFZCNZ-LSDHHAIUSA-N 0 3 318.442 3.104 20 30 DGEDHN CCCCCCN(C)CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000787844846 625061644 /nfs/dbraw/zinc/06/16/44/625061644.db2.gz QRUQBJNNPMGMGK-GOSISDBHSA-N 0 3 313.445 3.174 20 30 DGEDHN OC[C@@H](NN=Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000788461164 625185391 /nfs/dbraw/zinc/18/53/91/625185391.db2.gz QMTJVTHOBDKMLO-HXUWFJFHSA-N 0 3 323.440 3.334 20 30 DGEDHN C#CC[C@@H](CO)NCc1cc(-c2ccccc2C)ccc1OC ZINC000883125569 625934781 /nfs/dbraw/zinc/93/47/81/625934781.db2.gz MVEIJSOYCNPLTR-SFHVURJKSA-N 0 3 309.409 3.144 20 30 DGEDHN C=CCC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000883185775 625960282 /nfs/dbraw/zinc/96/02/82/625960282.db2.gz DPUPVROXJHDXGS-RDJZCZTQSA-N 0 3 320.389 3.207 20 30 DGEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCO[C@H](C)C#N ZINC000796245463 626031996 /nfs/dbraw/zinc/03/19/96/626031996.db2.gz FSZJYMMITCZSGD-UXLLHSPISA-N 0 3 302.418 3.397 20 30 DGEDHN CCC[C@]1(NCc2cc(Cl)ccc2OCC#N)CCOC1 ZINC000796443367 626050240 /nfs/dbraw/zinc/05/02/40/626050240.db2.gz RZACBQAIYJKZCA-INIZCTEOSA-N 0 3 308.809 3.291 20 30 DGEDHN Cc1cc(Br)cc(C[NH2+]CC2(CC#N)CC2)c1[O-] ZINC000797603872 626159263 /nfs/dbraw/zinc/15/92/63/626159263.db2.gz DCIBMWJXNBFAJO-UHFFFAOYSA-N 0 3 309.207 3.247 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](C)c2csc3ccccc32)C1=O ZINC000798393187 626215316 /nfs/dbraw/zinc/21/53/16/626215316.db2.gz LRZKZJLJIFUEML-WFASDCNBSA-N 0 3 300.427 3.339 20 30 DGEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1C#N ZINC000799298934 626285455 /nfs/dbraw/zinc/28/54/55/626285455.db2.gz QCHOMDDIVZMCCJ-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C)c(C#N)c2)c1 ZINC000799713383 626323352 /nfs/dbraw/zinc/32/33/52/626323352.db2.gz VTKUKAOMKWHGLU-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000800384452 626355105 /nfs/dbraw/zinc/35/51/05/626355105.db2.gz CGCMAOJSYKRGQH-DOMZBBRYSA-N 0 3 302.374 3.169 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000800384454 626355121 /nfs/dbraw/zinc/35/51/21/626355121.db2.gz CGCMAOJSYKRGQH-SWLSCSKDSA-N 0 3 302.374 3.169 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103640677 626394928 /nfs/dbraw/zinc/39/49/28/626394928.db2.gz ZRYYEISWKYCURD-GDBMZVCRSA-N 0 3 321.380 3.313 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103640684 626395080 /nfs/dbraw/zinc/39/50/80/626395080.db2.gz ZRYYEISWKYCURD-ZBFHGGJFSA-N 0 3 321.380 3.313 20 30 DGEDHN CCCCCCN(C)CC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000801524231 626407367 /nfs/dbraw/zinc/40/73/67/626407367.db2.gz OTAFDJODFWPNQI-UHFFFAOYSA-N 0 3 321.852 3.340 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000801911844 626424932 /nfs/dbraw/zinc/42/49/32/626424932.db2.gz DEJGUSWKAKWEGK-ZDUSSCGKSA-N 0 3 315.442 3.404 20 30 DGEDHN C[C@@H](C#N)OCCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000801930575 626426190 /nfs/dbraw/zinc/42/61/90/626426190.db2.gz RSNJLQYMDOWELO-ZDUSSCGKSA-N 0 3 313.376 3.325 20 30 DGEDHN CCOc1cccc2cc([C@H](C)NCCO[C@@H](C)C#N)oc21 ZINC000801939614 626426988 /nfs/dbraw/zinc/42/69/88/626426988.db2.gz TYMZZPVDYCBNRG-STQMWFEESA-N 0 3 302.374 3.411 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000801936278 626427081 /nfs/dbraw/zinc/42/70/81/626427081.db2.gz MGUQUVZGGRPGPM-GJZGRUSLSA-N 0 3 322.836 3.359 20 30 DGEDHN C=CCC[C@H](NCc1cc(C)ncn1)[C@H]1Cc2ccccc2O1 ZINC000883208316 626609528 /nfs/dbraw/zinc/60/95/28/626609528.db2.gz CYDPTJKCAGAAAL-PKOBYXMFSA-N 0 3 309.413 3.213 20 30 DGEDHN C=CCC[C@H](N[C@H]1CCn2ccnc21)[C@@H]1Cc2ccccc2O1 ZINC000883226235 626615742 /nfs/dbraw/zinc/61/57/42/626615742.db2.gz URWUQCPRIXSLLL-BQFCYCMXSA-N 0 3 309.413 3.256 20 30 DGEDHN C=CCCCCCCCCNC(=S)NC1CCN(C)CC1 ZINC000806599455 626726120 /nfs/dbraw/zinc/72/61/20/626726120.db2.gz SODKTPQPAAOVAX-UHFFFAOYSA-N 0 3 311.539 3.461 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@H]1CCSC1 ZINC000808002291 626785418 /nfs/dbraw/zinc/78/54/18/626785418.db2.gz YSGLTAUNRUBTID-ZNPGQUAESA-N 0 3 301.459 3.379 20 30 DGEDHN CCCCCCCCCN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884101051 626834327 /nfs/dbraw/zinc/83/43/27/626834327.db2.gz NGRALHHDPBRYSI-TVRKMHQQSA-N 0 3 319.493 3.335 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1COc2ccccc2[C@H]1O ZINC000808729511 626854843 /nfs/dbraw/zinc/85/48/43/626854843.db2.gz LBIFQDXXMMZYII-NLWGTHIKSA-N 0 3 320.392 3.020 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCSCC1 ZINC000134964492 626895850 /nfs/dbraw/zinc/89/58/50/626895850.db2.gz UTNIJTHXVSSFTB-ZDUSSCGKSA-N 0 3 313.426 3.283 20 30 DGEDHN C#Cc1ccc(CN2CCC(CC(=O)NC3CCCC3)CC2)cc1 ZINC000809551820 626919224 /nfs/dbraw/zinc/91/92/24/626919224.db2.gz BLLHGKIJWPRZPM-UHFFFAOYSA-N 0 3 324.468 3.329 20 30 DGEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000809683705 626935101 /nfs/dbraw/zinc/93/51/01/626935101.db2.gz KYIHOBBKHWMCOZ-OAHLLOKOSA-N 0 3 302.381 3.046 20 30 DGEDHN C#C[C@@H](NCc1cnc2c(C)cc(Br)cn12)C(C)C ZINC000809685142 626935978 /nfs/dbraw/zinc/93/59/78/626935978.db2.gz BIRMPCLINQGZOV-CQSZACIVSA-N 0 3 320.234 3.153 20 30 DGEDHN C#C[C@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)C(C)C ZINC000809685433 626935983 /nfs/dbraw/zinc/93/59/83/626935983.db2.gz SZVNQOYSUNJROB-ZDUSSCGKSA-N 0 3 315.335 3.384 20 30 DGEDHN C#CCOc1ccccc1CN1CCC(c2ccncc2)CC1 ZINC000809730433 626942603 /nfs/dbraw/zinc/94/26/03/626942603.db2.gz NHWJZPNWIWONFC-UHFFFAOYSA-N 0 3 306.409 3.473 20 30 DGEDHN C#C[C@@H](NCc1cnc2ccc(Br)cn12)C(C)(C)C ZINC000809782302 626952288 /nfs/dbraw/zinc/95/22/88/626952288.db2.gz OAECCVJGXGMJEV-CYBMUJFWSA-N 0 3 320.234 3.234 20 30 DGEDHN C#C[C@@H](NCc1ccc(Cl)cc1-n1cncn1)C(C)(C)C ZINC000809781730 626952474 /nfs/dbraw/zinc/95/24/74/626952474.db2.gz YXSCVYGCICUEEI-OAHLLOKOSA-N 0 3 302.809 3.058 20 30 DGEDHN C#CCOc1ccc(CN(C)Cc2ccccc2N(C)C)cc1 ZINC000809788781 626953738 /nfs/dbraw/zinc/95/37/38/626953738.db2.gz VZCUZBDNJRVMSF-UHFFFAOYSA-N 0 3 308.425 3.397 20 30 DGEDHN C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068144 626974426 /nfs/dbraw/zinc/97/44/26/626974426.db2.gz IZVVRGJZMNONCU-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068144 626974429 /nfs/dbraw/zinc/97/44/29/626974429.db2.gz IZVVRGJZMNONCU-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN COc1cc(CNCc2cncc3ccccc32)ccc1C#N ZINC000810169743 626983447 /nfs/dbraw/zinc/98/34/47/626983447.db2.gz YFSQSSFRPZRMSY-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1C#N ZINC000810251422 626992205 /nfs/dbraw/zinc/99/22/05/626992205.db2.gz RZMXDYSTIHCNLE-LLVKDONJSA-N 0 3 300.333 3.262 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1ccc(C)s1 ZINC000810527569 627012210 /nfs/dbraw/zinc/01/22/10/627012210.db2.gz MZAIOVBZLCCDKO-OAHLLOKOSA-N 0 3 320.458 3.395 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1ccc(C)s1 ZINC000810527155 627012437 /nfs/dbraw/zinc/01/24/37/627012437.db2.gz IVNZKAQVEAHZAR-AWEZNQCLSA-N 0 3 306.431 3.004 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@H]3CCCN3CCC)cc21 ZINC000885577030 627027989 /nfs/dbraw/zinc/02/79/89/627027989.db2.gz QEPRORGXPNBEFQ-MRXNPFEDSA-N 0 3 312.417 3.035 20 30 DGEDHN C#CCC(C)(C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000810640028 627029840 /nfs/dbraw/zinc/02/98/40/627029840.db2.gz KOXHPUOSSOYDHF-UHFFFAOYSA-N 0 3 303.402 3.084 20 30 DGEDHN C=C(CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000810734197 627043386 /nfs/dbraw/zinc/04/33/86/627043386.db2.gz WUSDKMSKXZYYMM-SFHVURJKSA-N 0 3 304.409 3.029 20 30 DGEDHN N#CCC1(OC(=O)C2CCN(Cc3ccccc3)CC2)CCC1 ZINC000810856869 627057154 /nfs/dbraw/zinc/05/71/54/627057154.db2.gz FPEJFQAGKCNWKP-UHFFFAOYSA-N 0 3 312.413 3.278 20 30 DGEDHN C=CCCCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000811014092 627078772 /nfs/dbraw/zinc/07/87/72/627078772.db2.gz PZIYZFJFXPDYEA-CYBMUJFWSA-N 0 3 323.339 3.217 20 30 DGEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)CC2(C#N)CCC2)s1 ZINC000886018843 627085893 /nfs/dbraw/zinc/08/58/93/627085893.db2.gz IGMMNEFMGHPGJL-ZIAGYGMSSA-N 0 3 321.490 3.452 20 30 DGEDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(C#N)CCC1 ZINC000886192184 627119468 /nfs/dbraw/zinc/11/94/68/627119468.db2.gz JQEKSQSDEWDOTM-QGZVFWFLSA-N 0 3 316.445 3.439 20 30 DGEDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(C#N)CCC1 ZINC000886192184 627119471 /nfs/dbraw/zinc/11/94/71/627119471.db2.gz JQEKSQSDEWDOTM-QGZVFWFLSA-N 0 3 316.445 3.439 20 30 DGEDHN C#CCN(C(=O)c1cccc2c1CCCCC2)C1CCN(C)CC1 ZINC000886571139 627166082 /nfs/dbraw/zinc/16/60/82/627166082.db2.gz KIRGIRHZBGWJBX-UHFFFAOYSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)c1ccccc1C)C1CCN(C)CC1 ZINC000886581228 627166870 /nfs/dbraw/zinc/16/68/70/627166870.db2.gz OOZVRJOYQICQAP-KRWDZBQOSA-N 0 3 312.457 3.045 20 30 DGEDHN CCCCCCN(C)CC(=O)N(C)Cc1cc(C#N)cs1 ZINC000887970464 627350656 /nfs/dbraw/zinc/35/06/56/627350656.db2.gz AGUKAQZWGIKZKS-UHFFFAOYSA-N 0 3 307.463 3.090 20 30 DGEDHN C[C@@H](NCc1ccc2cnn(C)c2c1)c1ccc(OCC#N)cc1 ZINC000812734399 627414003 /nfs/dbraw/zinc/41/40/03/627414003.db2.gz IKSJGLLVXZMAEE-CQSZACIVSA-N 0 3 320.396 3.326 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC1 ZINC000889511728 627431747 /nfs/dbraw/zinc/43/17/47/627431747.db2.gz BMOUKALKVAJAGW-MRXNPFEDSA-N 0 3 314.429 3.089 20 30 DGEDHN CCCCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218408 627468928 /nfs/dbraw/zinc/46/89/28/627468928.db2.gz VVHUYYCMKYJGSE-ZYHUDNBSSA-N 0 3 314.307 3.482 20 30 DGEDHN CCc1ccc(C#CC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000814485289 627570208 /nfs/dbraw/zinc/57/02/08/627570208.db2.gz DYSGHGLSQZBLPV-UHFFFAOYSA-N 0 3 306.409 3.301 20 30 DGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657254 627582334 /nfs/dbraw/zinc/58/23/34/627582334.db2.gz NOZKVSPAKBIIDE-HUUCEWRRSA-N 0 3 300.402 3.486 20 30 DGEDHN Cc1ccc([N+](=O)[O-])cc1NNC1=C[C@H](C(F)(F)F)OCC1 ZINC000814824419 627595743 /nfs/dbraw/zinc/59/57/43/627595743.db2.gz VCZXHAPOTHJSJW-GFCCVEGCSA-N 0 3 317.267 3.412 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000925458760 627738717 /nfs/dbraw/zinc/73/87/17/627738717.db2.gz WGISDCGJQHFERK-SWLSCSKDSA-N 0 3 319.836 3.363 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817281406 627876915 /nfs/dbraw/zinc/87/69/15/627876915.db2.gz KROAIMCIRVOYJQ-UKRRQHHQSA-N 0 3 312.335 3.256 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cnccc2N)c1 ZINC000817917943 627961238 /nfs/dbraw/zinc/96/12/38/627961238.db2.gz JKRRTZBRIXXYRN-HIFRSBDPSA-N 0 3 310.401 3.026 20 30 DGEDHN Cc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1C#N ZINC000926852540 627963459 /nfs/dbraw/zinc/96/34/59/627963459.db2.gz RXACVUIWSVKBLH-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN C#CCN1CCC[C@H](N[C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926863605 627965667 /nfs/dbraw/zinc/96/56/67/627965667.db2.gz AJAZESLPHCEHGY-PZJWPPBQSA-N 0 3 319.452 3.167 20 30 DGEDHN C[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(C#N)ccn1 ZINC000926915371 627979950 /nfs/dbraw/zinc/97/99/50/627979950.db2.gz KNXZJMLJNZWYTM-JKOKRWQUSA-N 0 3 313.323 3.104 20 30 DGEDHN CCCCCCCCC(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000818039357 627989449 /nfs/dbraw/zinc/98/94/49/627989449.db2.gz WSFSKWOHCVXFAO-DLBZAZTESA-N 0 3 310.482 3.059 20 30 DGEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000927067354 628007082 /nfs/dbraw/zinc/00/70/82/628007082.db2.gz GGQGTSHPHUXEIC-PXAZEXFGSA-N 0 3 300.381 3.479 20 30 DGEDHN C[C@@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000927156301 628027950 /nfs/dbraw/zinc/02/79/50/628027950.db2.gz KFAJWOUKUCBMNN-ZTQAJYAQSA-N 0 3 324.399 3.441 20 30 DGEDHN C[C@@H](NCCNc1ccc(C#N)cn1)c1csc(Cl)c1 ZINC000927163941 628029754 /nfs/dbraw/zinc/02/97/54/628029754.db2.gz MECFLYVDZDLGAL-SNVBAGLBSA-N 0 3 306.822 3.431 20 30 DGEDHN C#CCN(C)CCCNC(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000818592819 628039976 /nfs/dbraw/zinc/03/99/76/628039976.db2.gz AMDUMZWYEPHKEI-IAGOWNOFSA-N 0 3 312.457 3.047 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc(C#N)ccc1C ZINC000822190908 628427779 /nfs/dbraw/zinc/42/77/79/628427779.db2.gz NQARNVYMSNJLBH-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN COc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c([O-])c1 ZINC000825753693 628794306 /nfs/dbraw/zinc/79/43/06/628794306.db2.gz UHVLYNZUMDSYNL-UHFFFAOYSA-N 0 3 308.381 3.246 20 30 DGEDHN N#Cc1csc(C(=O)NC[C@@H]2CCN2C2CCCCCC2)c1 ZINC000826666676 628870181 /nfs/dbraw/zinc/87/01/81/628870181.db2.gz INNNHNJFSISRBZ-HNNXBMFYSA-N 0 3 317.458 3.147 20 30 DGEDHN C#CCOc1ccccc1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000827376284 628953959 /nfs/dbraw/zinc/95/39/59/628953959.db2.gz BVKLIWLVDBSXQX-IBGZPJMESA-N 0 3 313.441 3.480 20 30 DGEDHN C#C[C@@H](NCc1ccc(C(F)(F)F)s1)C1CCOCC1 ZINC000827559787 628970688 /nfs/dbraw/zinc/97/06/88/628970688.db2.gz JJMIXVZGDHIFOV-GFCCVEGCSA-N 0 3 303.349 3.285 20 30 DGEDHN CC(C)CC(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000827783288 628991271 /nfs/dbraw/zinc/99/12/71/628991271.db2.gz QVAIJQMNBGVFNH-UHFFFAOYSA-N 0 3 313.445 3.076 20 30 DGEDHN N#CCOc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000829079389 629127253 /nfs/dbraw/zinc/12/72/53/629127253.db2.gz BCBXYWRINJDEEJ-IBGZPJMESA-N 0 3 308.381 3.242 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000829773646 629190325 /nfs/dbraw/zinc/19/03/25/629190325.db2.gz HSACWIQQXPUYRL-KZNAEPCWSA-N 0 3 312.457 3.296 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000829774973 629190575 /nfs/dbraw/zinc/19/05/75/629190575.db2.gz WPRADYFUJKFKHE-HRCADAONSA-N 0 3 316.420 3.127 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000829800424 629194745 /nfs/dbraw/zinc/19/47/45/629194745.db2.gz XYYJXMHCLOKFDF-HZPDHXFCSA-N 0 3 321.424 3.297 20 30 DGEDHN C#CC1CCN([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000830316332 629252084 /nfs/dbraw/zinc/25/20/84/629252084.db2.gz NWRYLPJYOUZOHM-KRWDZBQOSA-N 0 3 312.457 3.157 20 30 DGEDHN C#C[C@H](Cc1ccccc1)OC(=O)c1cccc(CN(C)C)c1 ZINC000835242108 629887871 /nfs/dbraw/zinc/88/78/71/629887871.db2.gz XCRWDAHQWVEIKA-LJQANCHMSA-N 0 3 307.393 3.150 20 30 DGEDHN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835339076 629909760 /nfs/dbraw/zinc/90/97/60/629909760.db2.gz COWMJXWTLILMOT-ZACQAIPSSA-N 0 3 312.413 3.036 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccsc1 ZINC000121607834 629989533 /nfs/dbraw/zinc/98/95/33/629989533.db2.gz RJRGPOAOZNQZSR-GXTWGEPZSA-N 0 3 306.431 3.257 20 30 DGEDHN Cc1ccc([C@@H](CNC(=O)C#CC(C)(C)C)N2CCCC2)cc1 ZINC000837379198 630250819 /nfs/dbraw/zinc/25/08/19/630250819.db2.gz VNOQUWJDARQOTE-GOSISDBHSA-N 0 3 312.457 3.298 20 30 DGEDHN CN1CCC(N(Cc2ccccc2)C(=O)C#CC(C)(C)C)CC1 ZINC000837454002 630260386 /nfs/dbraw/zinc/26/03/86/630260386.db2.gz BGICVDIPABNTRH-UHFFFAOYSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCCCCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000841332785 630429523 /nfs/dbraw/zinc/42/95/23/630429523.db2.gz RZKKGLHJVLWQCB-UHFFFAOYSA-N 0 3 317.433 3.427 20 30 DGEDHN FC(F)(F)CNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841634893 630450187 /nfs/dbraw/zinc/45/01/87/630450187.db2.gz XHMWNIAAWJBHBV-HNNXBMFYSA-N 0 3 311.351 3.494 20 30 DGEDHN CSc1ccccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842159783 630500592 /nfs/dbraw/zinc/50/05/92/630500592.db2.gz UHEJYQMOYCNWOC-QGZVFWFLSA-N 0 3 312.438 3.446 20 30 DGEDHN CCCCCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842288855 630511573 /nfs/dbraw/zinc/51/15/73/630511573.db2.gz MCSKYNIMVXHDFT-ZBFHGGJFSA-N 0 3 316.401 3.319 20 30 DGEDHN CO[C@H](CC(C)C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000842366263 630524462 /nfs/dbraw/zinc/52/44/62/630524462.db2.gz GFJAQDMTENSVPI-DGCLKSJQSA-N 0 3 314.307 3.338 20 30 DGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(F)CC2)cc1 ZINC000842690572 630563713 /nfs/dbraw/zinc/56/37/13/630563713.db2.gz ZJFUUWWMAXPCEQ-BXUZGUMPSA-N 0 3 302.349 3.350 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000842719696 630567806 /nfs/dbraw/zinc/56/78/06/630567806.db2.gz JHEPSGQTLMJEGS-OAHLLOKOSA-N 0 3 305.381 3.333 20 30 DGEDHN CCc1cccc(OCCN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844368651 630721756 /nfs/dbraw/zinc/72/17/56/630721756.db2.gz SNLJKFBAXOAXRN-FQEVSTJZSA-N 0 3 324.424 3.165 20 30 DGEDHN Cc1ccc(C)c(OCCN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844369744 630721931 /nfs/dbraw/zinc/72/19/31/630721931.db2.gz ZIMLFOHDQNYALC-LJQANCHMSA-N 0 3 324.424 3.219 20 30 DGEDHN CN(CCCC(=O)c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844372462 630722024 /nfs/dbraw/zinc/72/20/24/630722024.db2.gz ZJXUPOILFMTAEX-FQEVSTJZSA-N 0 3 322.408 3.187 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846011024 631205766 /nfs/dbraw/zinc/20/57/66/631205766.db2.gz QOAPNUPCKLIMJC-ZIAGYGMSSA-N 0 3 309.454 3.352 20 30 DGEDHN CC[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)[C@H](CC)CO1 ZINC000846028040 631206989 /nfs/dbraw/zinc/20/69/89/631206989.db2.gz VAHQEIKMOGZLFW-IEBWSBKVSA-N 0 3 315.461 3.426 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846151558 631212232 /nfs/dbraw/zinc/21/22/32/631212232.db2.gz AUFBVUOINYLUFK-AWEZNQCLSA-N 0 3 311.381 3.264 20 30 DGEDHN C#CC[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1ccccc1 ZINC000846845190 631326256 /nfs/dbraw/zinc/32/62/56/631326256.db2.gz UYJGFYKRNQXUTE-RTWAWAEBSA-N 0 3 320.436 3.246 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC000847622395 631497954 /nfs/dbraw/zinc/49/79/54/631497954.db2.gz JOUAXWWHMHQFLN-INIZCTEOSA-N 0 3 318.392 3.164 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848351536 631648529 /nfs/dbraw/zinc/64/85/29/631648529.db2.gz FINYBBONVMILGD-ZACQAIPSSA-N 0 3 323.481 3.091 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000848396135 631653945 /nfs/dbraw/zinc/65/39/45/631653945.db2.gz LIQFOEROFQRLHE-KRWDZBQOSA-N 0 3 305.466 3.217 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000848411273 631656615 /nfs/dbraw/zinc/65/66/15/631656615.db2.gz ZBQYGODPRGUODK-KRWDZBQOSA-N 0 3 314.433 3.027 20 30 DGEDHN CCCCCCOCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000107876438 631751559 /nfs/dbraw/zinc/75/15/59/631751559.db2.gz KLICWCYJIZIEEX-INIZCTEOSA-N 0 3 316.401 3.239 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000848923105 631788466 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CC[C@H](NC(=O)C(C#N)C(=O)Cc1occc1C)c1ccccc1 ZINC000850977885 632275135 /nfs/dbraw/zinc/27/51/35/632275135.db2.gz GMNMGBSWFFTTNS-HOTGVXAUSA-N 0 3 324.380 3.107 20 30 DGEDHN C=CCN(CC[C@H]1COC(C)(C)O1)Cc1cccc(C#N)c1 ZINC000851738716 632480034 /nfs/dbraw/zinc/48/00/34/632480034.db2.gz POGVFKYMIGFVTK-KRWDZBQOSA-N 0 3 300.402 3.088 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000852100719 632554314 /nfs/dbraw/zinc/55/43/14/632554314.db2.gz ZTNQHGPVPAKNQA-QZTJIDSGSA-N 0 3 304.409 3.031 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000852101965 632555196 /nfs/dbraw/zinc/55/51/96/632555196.db2.gz IVDDXMMYPJEPRI-GUYCJALGSA-N 0 3 306.837 3.251 20 30 DGEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000852102338 632555614 /nfs/dbraw/zinc/55/56/14/632555614.db2.gz WULMXJQLCWGDFN-PBHICJAKSA-N 0 3 304.459 3.043 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN(C1CC1)C1(CO)CCC1 ZINC000852158121 632565050 /nfs/dbraw/zinc/56/50/50/632565050.db2.gz BJGQAJOHPWDOLI-UHFFFAOYSA-N 0 3 320.820 3.122 20 30 DGEDHN CC(C)(NC[C@H](O)c1c(F)cccc1F)c1cccc(C#N)c1 ZINC000852353575 632593542 /nfs/dbraw/zinc/59/35/42/632593542.db2.gz ALWKPRDBORPBBC-INIZCTEOSA-N 0 3 316.351 3.395 20 30 DGEDHN C=CCCN1CC(CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001032094622 660194602 /nfs/dbraw/zinc/19/46/02/660194602.db2.gz LLELWAXQKCGRBN-UHFFFAOYSA-N 0 3 316.426 3.246 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2Cl)[C@H](C)C1 ZINC000944078527 660211171 /nfs/dbraw/zinc/21/11/71/660211171.db2.gz HUFOMFJXYACFRJ-CJNGLKHVSA-N 0 3 318.848 3.030 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)[C@@H](C)C1 ZINC000944315382 660218810 /nfs/dbraw/zinc/21/88/10/660218810.db2.gz AJLPFIFPAZMHSD-CMPLNLGQSA-N 0 3 312.866 3.336 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@@H](C)C1 ZINC000944318802 660219171 /nfs/dbraw/zinc/21/91/71/660219171.db2.gz RZMRBIFAJVXEDW-AAEUAGOBSA-N 0 3 324.877 3.173 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)nc3ccccc32)[C@@H](C)C1 ZINC000944619235 660226725 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CC#CCN1CCC([C@@H](C)NC(=O)c2cccc3c2CCC3)CC1 ZINC000997439622 660325014 /nfs/dbraw/zinc/32/50/14/660325014.db2.gz PQWAETGOYBBAIW-MRXNPFEDSA-N 0 3 324.468 3.029 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2ccccc21 ZINC001032477038 660328390 /nfs/dbraw/zinc/32/83/90/660328390.db2.gz CDHYGDOZXOQVLH-CMKODMSKSA-N 0 3 324.468 3.358 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1CC ZINC001032496872 660331387 /nfs/dbraw/zinc/33/13/87/660331387.db2.gz ATFAAYFJQWWETJ-IRXDYDNUSA-N 0 3 316.420 3.253 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)oc3ccccc32)CC1 ZINC000997600929 660334679 /nfs/dbraw/zinc/33/46/79/660334679.db2.gz KIKJBLDEYLQWDG-AWEZNQCLSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc3c2CCCC3)CC1 ZINC000997601773 660335111 /nfs/dbraw/zinc/33/51/11/660335111.db2.gz QDTGUQGDIQGKHF-INIZCTEOSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(CCC)s2)CC1 ZINC000997609014 660335491 /nfs/dbraw/zinc/33/54/91/660335491.db2.gz ZOCXMUWRRYWIHV-AWEZNQCLSA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000997735493 660341008 /nfs/dbraw/zinc/34/10/08/660341008.db2.gz NNUKLQMNKTVTES-AWEZNQCLSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3csc(C)c3)C2)C1 ZINC001040454037 660341363 /nfs/dbraw/zinc/34/13/63/660341363.db2.gz RYOBUHKCQZLVOP-GOSISDBHSA-N 0 3 316.470 3.008 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccsc2Cl)CC1 ZINC000997786146 660344386 /nfs/dbraw/zinc/34/43/86/660344386.db2.gz IFPWKVVNWUMAJV-LBPRGKRZSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000997841001 660346953 /nfs/dbraw/zinc/34/69/53/660346953.db2.gz GVUCOYQCQWVFSH-BQFCYCMXSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000997843585 660347182 /nfs/dbraw/zinc/34/71/82/660347182.db2.gz ZNRPMXCHVFBOQA-BQFCYCMXSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC(CNCc2nccs2)CC1 ZINC000997955416 660358366 /nfs/dbraw/zinc/35/83/66/660358366.db2.gz FAKCVFYWMKRDMB-UHFFFAOYSA-N 0 3 321.490 3.074 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccoc2CC)CC1 ZINC000997991098 660362297 /nfs/dbraw/zinc/36/22/97/660362297.db2.gz HDNIPHKWRUJYKK-INIZCTEOSA-N 0 3 316.445 3.182 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccsc2C)CC1 ZINC000998006596 660363289 /nfs/dbraw/zinc/36/32/89/660363289.db2.gz VAOVRLXNSHNHCY-INIZCTEOSA-N 0 3 318.486 3.396 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cccc(F)c2C)CC1 ZINC000998013204 660364085 /nfs/dbraw/zinc/36/40/85/660364085.db2.gz QKSTUNNOTKHTEY-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2c[nH]c3ccccc32)CC1 ZINC000998056098 660366563 /nfs/dbraw/zinc/36/65/63/660366563.db2.gz FVQYXHYGMNEQBA-INIZCTEOSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000998065341 660366989 /nfs/dbraw/zinc/36/69/89/660366989.db2.gz GAUNUKJDFSYTGW-CADBVGFASA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000998070112 660367313 /nfs/dbraw/zinc/36/73/13/660367313.db2.gz BLHOHRNRXWJDJY-FCGDIQPGSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccsc2Cl)CC1 ZINC000998137234 660372319 /nfs/dbraw/zinc/37/23/19/660372319.db2.gz YHLRIEMIGZRPAI-ZDUSSCGKSA-N 0 3 324.877 3.351 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(Cl)cc2)CC1 ZINC000998176971 660374410 /nfs/dbraw/zinc/37/44/10/660374410.db2.gz PDIXIAYYMIZJHH-KRWDZBQOSA-N 0 3 318.848 3.290 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032607205 660376402 /nfs/dbraw/zinc/37/64/02/660376402.db2.gz IIXGBPQTLKHCJD-JENIJYKNSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2coc(C(F)F)c2)CC1 ZINC000998108012 660370260 /nfs/dbraw/zinc/37/02/60/660370260.db2.gz YRXCVPCHGVDBFR-AWEZNQCLSA-N 0 3 324.371 3.167 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccoc3C)CC[C@@H]2C1 ZINC000946469427 660370409 /nfs/dbraw/zinc/37/04/09/660370409.db2.gz 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660381299 /nfs/dbraw/zinc/38/12/99/660381299.db2.gz AXRXFUBHAGDNDI-KKUMJFAQSA-N 0 3 312.404 3.063 20 30 DGEDHN CC(C)(C)CC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000998524584 660392323 /nfs/dbraw/zinc/39/23/23/660392323.db2.gz GSQJAJJQKXDRTH-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000998763432 660398078 /nfs/dbraw/zinc/39/80/78/660398078.db2.gz DSMFCOUETRXHEW-WLYUNCDWSA-N 0 3 310.869 3.288 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2sccc2Cl)C1 ZINC000998819991 660399141 /nfs/dbraw/zinc/39/91/41/660399141.db2.gz NRMVVCHBBCZONN-UHFFFAOYSA-N 0 3 319.257 3.347 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001032648075 660406141 /nfs/dbraw/zinc/40/61/41/660406141.db2.gz OFZUUGBOMMNFHD-OALUTQOASA-N 0 3 312.457 3.179 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000998979182 660403201 /nfs/dbraw/zinc/40/32/01/660403201.db2.gz FWOZHPSRSVKIEV-QQFBHYJXSA-N 0 3 310.869 3.454 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001032647131 660405875 /nfs/dbraw/zinc/40/58/75/660405875.db2.gz MWUGXYZXWFIDHW-WNRNVDISSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(F)ccc2C)C1 ZINC000999190831 660407985 /nfs/dbraw/zinc/40/79/85/660407985.db2.gz UXUFFSHCRNCLBA-UHFFFAOYSA-N 0 3 310.800 3.079 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ccncc21 ZINC001032710964 660415716 /nfs/dbraw/zinc/41/57/16/660415716.db2.gz ACFFOHMZLPDMMS-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC000999306447 660415924 /nfs/dbraw/zinc/41/59/24/660415924.db2.gz NLGGTXHSESSNQA-UHFFFAOYSA-N 0 3 318.751 3.162 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1 ZINC001032773094 660442775 /nfs/dbraw/zinc/44/27/75/660442775.db2.gz NNRQHZZMQGUJAP-ROUUACIJSA-N 0 3 312.457 3.216 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(CC)cc1 ZINC001032778961 660443595 /nfs/dbraw/zinc/44/35/95/660443595.db2.gz QONMAUWCBRWXJT-OALUTQOASA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCc2ccccc21 ZINC001032797026 660449675 /nfs/dbraw/zinc/44/96/75/660449675.db2.gz HAMQSVQPDJYWJU-QYZOEREBSA-N 0 3 324.468 3.358 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC001001680444 660456029 /nfs/dbraw/zinc/45/60/29/660456029.db2.gz LSWYKMATGFUNKQ-OALUTQOASA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC001001877535 660459011 /nfs/dbraw/zinc/45/90/11/660459011.db2.gz SJNLHDFSCHGCKU-BWTSREIZSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC001001877536 660459061 /nfs/dbraw/zinc/45/90/61/660459061.db2.gz SJNLHDFSCHGCKU-QZTJIDSGSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC001001877537 660459067 /nfs/dbraw/zinc/45/90/67/660459067.db2.gz SJNLHDFSCHGCKU-ROUUACIJSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001001994726 660461774 /nfs/dbraw/zinc/46/17/74/660461774.db2.gz NWSIGQUHEJWZLB-ZWKOTPCHSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3coc(C)c3)CC[C@@H]2C1 ZINC000946565146 660478649 /nfs/dbraw/zinc/47/86/49/660478649.db2.gz DSYNZFIQEHTRQX-GASCZTMLSA-N 0 3 322.836 3.125 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCCc3ccccc32)CC1 ZINC001004218552 660533686 /nfs/dbraw/zinc/53/36/86/660533686.db2.gz DSRVFVODRGZQKP-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C2CC=CC2)CC1 ZINC001004382852 660547778 /nfs/dbraw/zinc/54/77/78/660547778.db2.gz WEYOVBCVPWGPEW-QGZVFWFLSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001004404628 660548720 /nfs/dbraw/zinc/54/87/20/660548720.db2.gz XXLHEOQHMRMFJX-BOCDPNTGSA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001004527506 660555703 /nfs/dbraw/zinc/55/57/03/660555703.db2.gz MMLAMRBZUZFYOR-VBNZEHGJSA-N 0 3 310.869 3.098 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)C)CCN1Cc1cccc(C#N)c1 ZINC000947957662 660561563 /nfs/dbraw/zinc/56/15/63/660561563.db2.gz MCHFLIRSSYDLQQ-PBHICJAKSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001033185723 660582593 /nfs/dbraw/zinc/58/25/93/660582593.db2.gz UKFBGHZKEFDAJI-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2coc3cc(F)ccc32)C1 ZINC001033204876 660588573 /nfs/dbraw/zinc/58/85/73/660588573.db2.gz VCPUPBIFHQRMPE-CQSZACIVSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033252265 660599247 /nfs/dbraw/zinc/59/92/47/660599247.db2.gz CNXDUNRHYPPRAJ-KRWDZBQOSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001033262094 660601298 /nfs/dbraw/zinc/60/12/98/660601298.db2.gz OAGRQBABFLCWQS-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001033263383 660601499 /nfs/dbraw/zinc/60/14/99/660601499.db2.gz ZNFFXICDVDLLQJ-MRXNPFEDSA-N 0 3 322.399 3.276 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001033271937 660602235 /nfs/dbraw/zinc/60/22/35/660602235.db2.gz LWOYWWSFDRFFRX-KBPBESRZSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033289225 660604666 /nfs/dbraw/zinc/60/46/66/660604666.db2.gz IRMHZXHBLRQMHF-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001033324573 660608351 /nfs/dbraw/zinc/60/83/51/660608351.db2.gz IBQPCKGUFXZKLH-OAHLLOKOSA-N 0 3 318.848 3.126 20 30 DGEDHN CCN(C[C@H](C)C#N)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929429955 661306490 /nfs/dbraw/zinc/30/64/90/661306490.db2.gz UJMZYWJHHGJZGG-KFWWJZLASA-N 0 3 309.454 3.161 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001033330294 660609707 /nfs/dbraw/zinc/60/97/07/660609707.db2.gz ZDXUCEFUZDAEHJ-CQSZACIVSA-N 0 3 306.475 3.135 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033357468 660615035 /nfs/dbraw/zinc/61/50/35/660615035.db2.gz GOQUBOFYKHQXFC-CYBMUJFWSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2scnc2C(C)C)C1 ZINC001033484679 660626775 /nfs/dbraw/zinc/62/67/75/660626775.db2.gz RUSLPJHFESMJKJ-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc3sccc32)C1 ZINC001033467675 660626031 /nfs/dbraw/zinc/62/60/31/660626031.db2.gz PPBNIYJLGOLCKT-OAHLLOKOSA-N 0 3 314.454 3.163 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001033483228 660626298 /nfs/dbraw/zinc/62/62/98/660626298.db2.gz GEKJPMRUKZLEFR-KOHRHEQBSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001033392025 660616518 /nfs/dbraw/zinc/61/65/18/660616518.db2.gz XOXKJOQMJWCXGC-SFHVURJKSA-N 0 3 314.473 3.263 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033491397 660628609 /nfs/dbraw/zinc/62/86/09/660628609.db2.gz GYUMQALOXKJGGH-BHYGNILZSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033499414 660629070 /nfs/dbraw/zinc/62/90/70/660629070.db2.gz JZKZUEDWBBBHFQ-GBESFXJTSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001033521365 660630508 /nfs/dbraw/zinc/63/05/08/660630508.db2.gz ZFKOJFCJTSYZEC-GOSISDBHSA-N 0 3 312.457 3.154 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3cccnc3s2)C1 ZINC001033552932 660632130 /nfs/dbraw/zinc/63/21/30/660632130.db2.gz KRBMIZKOSSEBMA-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001033577041 660633430 /nfs/dbraw/zinc/63/34/30/660633430.db2.gz LOCOWBSCNMROMF-HNNXBMFYSA-N 0 3 318.848 3.126 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc3ccccc32)C1 ZINC001033609480 660638977 /nfs/dbraw/zinc/63/89/77/660638977.db2.gz KAYDAUKMHCNKAC-IBGZPJMESA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc3ccccc32)C1 ZINC001033610165 660639018 /nfs/dbraw/zinc/63/90/18/660639018.db2.gz UBEKDPQDGQMKQA-SFHVURJKSA-N 0 3 308.425 3.101 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001033609953 660639081 /nfs/dbraw/zinc/63/90/81/660639081.db2.gz RCXOSYIXJNSYBX-SFHVURJKSA-N 0 3 312.457 3.154 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C3CCCCC3)CC2)C1 ZINC001033623152 660640846 /nfs/dbraw/zinc/64/08/46/660640846.db2.gz CREVYINSARKRQT-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2OC)C1 ZINC001033637757 660643414 /nfs/dbraw/zinc/64/34/14/660643414.db2.gz QLMSOIOBNDIOJN-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033637708 660643490 /nfs/dbraw/zinc/64/34/90/660643490.db2.gz PKSMRBXOFLQDPL-LJQANCHMSA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001033647645 660646281 /nfs/dbraw/zinc/64/62/81/660646281.db2.gz DUCAPUSGNYWQAL-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033670587 660647834 /nfs/dbraw/zinc/64/78/34/660647834.db2.gz ACZCWGTWMAAWLV-YOEHRIQHSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033677955 660648508 /nfs/dbraw/zinc/64/85/08/660648508.db2.gz GDNCWLXCDPPYMW-IAGOWNOFSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001033690279 660651320 /nfs/dbraw/zinc/65/13/20/660651320.db2.gz RUPSABVTFIFLQW-HNNXBMFYSA-N 0 3 311.429 3.063 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c(C)oc3ccccc32)C1 ZINC001033849474 660670628 /nfs/dbraw/zinc/67/06/28/660670628.db2.gz FWUWHVMNVCAMCX-INIZCTEOSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033857198 660671870 /nfs/dbraw/zinc/67/18/70/660671870.db2.gz BFGLTWNYECVMQG-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(Cl)c2C)CC1 ZINC001005430081 660675437 /nfs/dbraw/zinc/67/54/37/660675437.db2.gz RXQBPKXGLFRSCJ-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2c(C)oc3ccccc32)CC1 ZINC001005449908 660678179 /nfs/dbraw/zinc/67/81/79/660678179.db2.gz ZOFRWKXHWZMDOW-UHFFFAOYSA-N 0 3 312.413 3.464 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(CCC)cc2)C1 ZINC001033941777 660684964 /nfs/dbraw/zinc/68/49/64/660684964.db2.gz INRFHRPJRIZPHD-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(CCC)cc2)C1 ZINC001033941778 660685064 /nfs/dbraw/zinc/68/50/64/660685064.db2.gz INRFHRPJRIZPHD-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(Cl)cn2CC)C1 ZINC001034038093 660698327 /nfs/dbraw/zinc/69/83/27/660698327.db2.gz PHSBTFQPINBMIR-OAHLLOKOSA-N 0 3 323.868 3.274 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001034043340 660700673 /nfs/dbraw/zinc/70/06/73/660700673.db2.gz DJYIZRGPZBCBCI-KRWDZBQOSA-N 0 3 316.420 3.002 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034027211 660696092 /nfs/dbraw/zinc/69/60/92/660696092.db2.gz WZGDYRARBDAKCM-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc3ccccc32)C1 ZINC001034031960 660697036 /nfs/dbraw/zinc/69/70/36/660697036.db2.gz KQZCVWGBOQJXJB-SFHVURJKSA-N 0 3 320.436 3.400 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001034216420 660724707 /nfs/dbraw/zinc/72/47/07/660724707.db2.gz DIWMUSDZSKRZGC-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001034222060 660726281 /nfs/dbraw/zinc/72/62/81/660726281.db2.gz ARJLHMABBYRGJI-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001034224320 660726697 /nfs/dbraw/zinc/72/66/97/660726697.db2.gz WUPRIGJUKJQTFI-KRWDZBQOSA-N 0 3 312.457 3.336 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001034224078 660726920 /nfs/dbraw/zinc/72/69/20/660726920.db2.gz UEGCHUFBIILQCX-INIZCTEOSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247585 660727154 /nfs/dbraw/zinc/72/71/54/660727154.db2.gz QPRGIZSKLXVUBA-CQSZACIVSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001034249317 660727822 /nfs/dbraw/zinc/72/78/22/660727822.db2.gz JZUMHWCNQWYHQL-KRWDZBQOSA-N 0 3 315.461 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034299716 660734304 /nfs/dbraw/zinc/73/43/04/660734304.db2.gz CWWRCCOTQKBYKE-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001034337131 660738467 /nfs/dbraw/zinc/73/84/67/660738467.db2.gz DTKNSCUAWJSPTG-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034395087 660747660 /nfs/dbraw/zinc/74/76/60/660747660.db2.gz SKGCSKMVVNDARH-GJZGRUSLSA-N 0 3 306.475 3.398 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001034429591 660748711 /nfs/dbraw/zinc/74/87/11/660748711.db2.gz WWPPPSKFCXPLGU-CVEARBPZSA-N 0 3 304.434 3.238 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001034453499 660755928 /nfs/dbraw/zinc/75/59/28/660755928.db2.gz HLMJGAYAYJPLKJ-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001034451215 660755935 /nfs/dbraw/zinc/75/59/35/660755935.db2.gz QBWZBRIMUTZJBE-AWEZNQCLSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001034509569 660763961 /nfs/dbraw/zinc/76/39/61/660763961.db2.gz YSEDLRIGLXQUMP-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001034507446 660763447 /nfs/dbraw/zinc/76/34/47/660763447.db2.gz JAFJJMHNCRVTMW-WBVHZDCISA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001034516696 660766075 /nfs/dbraw/zinc/76/60/75/660766075.db2.gz WGBDHFJMUKNXJM-QGZVFWFLSA-N 0 3 317.477 3.456 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(F)cc3ccoc32)CC1 ZINC001005626311 660783863 /nfs/dbraw/zinc/78/38/63/660783863.db2.gz TZDGKGQUWUPUPW-UHFFFAOYSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C)c(F)c2)CC1 ZINC001005680251 660788082 /nfs/dbraw/zinc/78/80/82/660788082.db2.gz OAPWCJAWCBDSKX-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC001005677370 660788784 /nfs/dbraw/zinc/78/87/84/660788784.db2.gz VNFVHOQSCBAUAD-UHFFFAOYSA-N 0 3 323.440 3.200 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1ncccc1C ZINC001035011627 660808862 /nfs/dbraw/zinc/80/88/62/660808862.db2.gz HLZNKBOTZQWQPI-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1ncccc1C ZINC001035035319 660810617 /nfs/dbraw/zinc/81/06/17/660810617.db2.gz JGGMCMWXXWJDJP-VQIMIIECSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035191371 660826361 /nfs/dbraw/zinc/82/63/61/660826361.db2.gz IKQIVVCNWYVNSW-UHFFFAOYSA-N 0 3 316.848 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001035212606 660829748 /nfs/dbraw/zinc/82/97/48/660829748.db2.gz VSBWZPZTTRHCTH-UITAMQMPSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001035212607 660829927 /nfs/dbraw/zinc/82/99/27/660829927.db2.gz VSBWZPZTTRHCTH-WEVVVXLNSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)c1cccs1)CC2 ZINC001035794739 660852777 /nfs/dbraw/zinc/85/27/77/660852777.db2.gz LUEOGNPRIHJLDQ-HNNXBMFYSA-N 0 3 318.486 3.352 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C13CCC(CC1)C3)CC2 ZINC001035732602 660848013 /nfs/dbraw/zinc/84/80/13/660848013.db2.gz GRQNUBSVHBDQFY-UHFFFAOYSA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@H]1CC)CC2 ZINC001035733977 660848171 /nfs/dbraw/zinc/84/81/71/660848171.db2.gz MCKABCOXFOIOCV-MJGOQNOKSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)CC2 ZINC001035771229 660850595 /nfs/dbraw/zinc/85/05/95/660850595.db2.gz SIVCHWZWLOBBKJ-IAGOWNOFSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc[nH]c1C(C)C)CC2 ZINC001035771890 660850775 /nfs/dbraw/zinc/85/07/75/660850775.db2.gz GZDDSZBNQQJNBA-UHFFFAOYSA-N 0 3 315.461 3.252 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccccc1Cl)CC2 ZINC001035840344 660857900 /nfs/dbraw/zinc/85/79/00/660857900.db2.gz GUNOCFOWOSNWKO-UHFFFAOYSA-N 0 3 318.848 3.454 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(C(C)C)cc1)CC2 ZINC001035843210 660858025 /nfs/dbraw/zinc/85/80/25/660858025.db2.gz PQSZKDVAWWEYJJ-UHFFFAOYSA-N 0 3 324.468 3.371 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)CCC1CCCCC1)CC2 ZINC001035844892 660858658 /nfs/dbraw/zinc/85/86/58/660858658.db2.gz SOQMYACZDBVRRC-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccn1C(C)C)CC2 ZINC001035853605 660859506 /nfs/dbraw/zinc/85/95/06/660859506.db2.gz XYFOWSPQTLPKEQ-UHFFFAOYSA-N 0 3 315.461 3.183 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCCC1(C)C)CC2 ZINC001035859373 660860807 /nfs/dbraw/zinc/86/08/07/660860807.db2.gz AAFGJWILCMKJNK-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C)C(C)(C)C1(C)C)CC2 ZINC001035864288 660861573 /nfs/dbraw/zinc/86/15/73/660861573.db2.gz PPIJSLRAEYWBSB-UHFFFAOYSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001005907887 660948199 /nfs/dbraw/zinc/94/81/99/660948199.db2.gz VHMHGYVOFGSBNW-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2ccc(CC)cc2)CC1 ZINC001006150746 660966076 /nfs/dbraw/zinc/96/60/76/660966076.db2.gz ISJHIDLXVDFCHS-INIZCTEOSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccccc2F)CC1 ZINC001006151983 660966385 /nfs/dbraw/zinc/96/63/85/660966385.db2.gz VOKXZEDDWLCCEI-CQSZACIVSA-N 0 3 304.409 3.038 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)C[C@H]1C ZINC000947974948 660957885 /nfs/dbraw/zinc/95/78/85/660957885.db2.gz JELXSMJBBCLBQF-AEFFLSMTSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(F)ccc2Cl)CC1 ZINC001006041611 660958618 /nfs/dbraw/zinc/95/86/18/660958618.db2.gz GSLHUHURKTXKML-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001006302998 660973687 /nfs/dbraw/zinc/97/36/87/660973687.db2.gz LQDOYVJQIIBOMJ-MRXNPFEDSA-N 0 3 300.446 3.207 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000794808403 661106101 /nfs/dbraw/zinc/10/61/01/661106101.db2.gz BAEDQMWDJJRYMT-QAPCUYQASA-N 0 3 324.428 3.268 20 30 DGEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000794808404 661106264 /nfs/dbraw/zinc/10/62/64/661106264.db2.gz BAEDQMWDJJRYMT-YJBOKZPZSA-N 0 3 324.428 3.268 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OCCC)c2)C[C@@H]1C ZINC000947365916 655525442 /nfs/dbraw/zinc/52/54/42/655525442.db2.gz WBYCHNCVSXWEMF-DOTOQJQBSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC000969126640 655526329 /nfs/dbraw/zinc/52/63/29/655526329.db2.gz HXKMQLIFESJLEZ-ZDUSSCGKSA-N 0 3 308.372 3.125 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC000969136958 655527843 /nfs/dbraw/zinc/52/78/43/655527843.db2.gz RYFMUFOIHJHKHV-GOSISDBHSA-N 0 3 312.457 3.301 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC000969154144 655528669 /nfs/dbraw/zinc/52/86/69/655528669.db2.gz YPSDAFZANSPKGM-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC000969161169 655529521 /nfs/dbraw/zinc/52/95/21/655529521.db2.gz SECOUCZLHYINDC-DAWZGUTISA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C[C@@H]1C ZINC000947369277 655530479 /nfs/dbraw/zinc/53/04/79/655530479.db2.gz JGLOSHJLHRAZOX-HNAYVOBHSA-N 0 3 310.441 3.170 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)C2=CCCC2)CCN1Cc1ccc(C#N)cc1 ZINC000947190460 655540106 /nfs/dbraw/zinc/54/01/06/655540106.db2.gz CGCYDWLAUYIWOB-BEFAXECRSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cscc2C(F)F)C1 ZINC000969685134 655555089 /nfs/dbraw/zinc/55/50/89/655555089.db2.gz QMAHQAFZESUSJZ-JTQLQIEISA-N 0 3 314.401 3.312 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC000969791208 655557794 /nfs/dbraw/zinc/55/77/94/655557794.db2.gz BEVDWHHPZZPFNV-OAHLLOKOSA-N 0 3 300.446 3.436 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3ccc(C)nc32)C1 ZINC000969932008 655564235 /nfs/dbraw/zinc/56/42/35/655564235.db2.gz MTRKNAWOTKMFOT-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001020726137 655572513 /nfs/dbraw/zinc/57/25/13/655572513.db2.gz AYPJJMZPJGPIHR-NXNVCVFFSA-N 0 3 318.848 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001020752207 655574214 /nfs/dbraw/zinc/57/42/14/655574214.db2.gz BZEAOPHEAHHNGU-JOCQHMNTSA-N 0 3 324.827 3.093 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC001039105092 655577313 /nfs/dbraw/zinc/57/73/13/655577313.db2.gz FDVCJCFELDTQAP-INIZCTEOSA-N 0 3 312.885 3.346 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC000969049464 655586131 /nfs/dbraw/zinc/58/61/31/655586131.db2.gz KWMPKHPJDHFOEF-SFHVURJKSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001021022160 655587190 /nfs/dbraw/zinc/58/71/90/655587190.db2.gz BZRKDHSUIIPNJX-HAQNSBGRSA-N 0 3 312.866 3.222 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC000970225705 655589193 /nfs/dbraw/zinc/58/91/93/655589193.db2.gz KWGUMOUDCMJUTH-HNNXBMFYSA-N 0 3 315.461 3.140 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2-n2cccc2)C1 ZINC000970363212 655596267 /nfs/dbraw/zinc/59/62/67/655596267.db2.gz JBEGXDWIJFIFEJ-INIZCTEOSA-N 0 3 323.440 3.104 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC000970374730 655596937 /nfs/dbraw/zinc/59/69/37/655596937.db2.gz VNTPIYMDJXFCIA-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000970481103 655602067 /nfs/dbraw/zinc/60/20/67/655602067.db2.gz DWKZGUDLHVQHIS-NSHDSACASA-N 0 3 310.800 3.105 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)c3ccccc23)C1 ZINC000970496524 655602958 /nfs/dbraw/zinc/60/29/58/655602958.db2.gz NPYUXIDPWZEUOZ-MRXNPFEDSA-N 0 3 320.436 3.222 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001039197295 655611333 /nfs/dbraw/zinc/61/13/33/655611333.db2.gz LWZYTQIUOHDEKR-RTBURBONSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccsc2C)C1 ZINC001039200253 655612265 /nfs/dbraw/zinc/61/22/65/655612265.db2.gz JBVRIKAOHBBECN-RDJZCZTQSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000970711444 655614118 /nfs/dbraw/zinc/61/41/18/655614118.db2.gz QWZLXSHGBVKOQW-HNNXBMFYSA-N 0 3 322.408 3.020 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC000970752348 655617205 /nfs/dbraw/zinc/61/72/05/655617205.db2.gz SBVBSJOYHCOTDM-HNNXBMFYSA-N 0 3 324.424 3.123 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2sccc2C)C1 ZINC001021494992 655619874 /nfs/dbraw/zinc/61/98/74/655619874.db2.gz GFKQCRBIYJTNQJ-HOTGVXAUSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000970839087 655628387 /nfs/dbraw/zinc/62/83/87/655628387.db2.gz OGOGSEMBTAJJJG-OAHLLOKOSA-N 0 3 312.457 3.192 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3c(s2)CCCC3)C1 ZINC000970842737 655628589 /nfs/dbraw/zinc/62/85/89/655628589.db2.gz JCWJGCXODYFKTB-ZDUSSCGKSA-N 0 3 318.486 3.253 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2C(C)(C)C2(C)C)C1 ZINC001021554101 655630149 /nfs/dbraw/zinc/63/01/49/655630149.db2.gz HPZFREXAQCFCGM-JKSUJKDBSA-N 0 3 316.489 3.005 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001041761919 655630468 /nfs/dbraw/zinc/63/04/68/655630468.db2.gz UXXBLVHMRKECJB-SFHVURJKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC000970931618 655638534 /nfs/dbraw/zinc/63/85/34/655638534.db2.gz ONCGWYDDHSQMJF-HOTGVXAUSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C1CCC(C(=O)N2CCC[C@H]3CN(CC#CC)CC[C@H]32)CC1 ZINC001021665889 655652157 /nfs/dbraw/zinc/65/21/57/655652157.db2.gz NDOFNHMTYASRGW-RBUKOAKNSA-N 0 3 314.473 3.069 20 30 DGEDHN C=Cc1ccc(C(=O)N2CCC[C@H]3CN(CC#CC)CC[C@H]32)cc1 ZINC001021675334 655654240 /nfs/dbraw/zinc/65/42/40/655654240.db2.gz XAOCQUWGRCGVOJ-VQTJNVASSA-N 0 3 322.452 3.279 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC001021718653 655663233 /nfs/dbraw/zinc/66/32/33/655663233.db2.gz HJLOBTZIENDOST-UYAOXDASSA-N 0 3 324.468 3.253 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(C)C[C@H](C)OC ZINC000795746672 661171122 /nfs/dbraw/zinc/17/11/22/661171122.db2.gz ILQUSYUKJHBXKK-ZDUSSCGKSA-N 0 3 305.447 3.239 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCC=CCC2)C1 ZINC001021742759 655669272 /nfs/dbraw/zinc/66/92/72/655669272.db2.gz NFMPEDWLBIPMRO-RBUKOAKNSA-N 0 3 314.473 3.069 20 30 DGEDHN C#C[C@@H](C)NCc1cc(Br)cc(Br)c1 ZINC000306927175 655684876 /nfs/dbraw/zinc/68/48/76/655684876.db2.gz SKKYOZBJALLSFN-MRVPVSSYSA-N 0 3 317.024 3.323 20 30 DGEDHN CC(C)C[C@H]1CN(C)CCN1CC#Cc1ccccc1Cl ZINC000933250214 655692288 /nfs/dbraw/zinc/69/22/88/655692288.db2.gz CFFISUFJPQBCAS-KRWDZBQOSA-N 0 3 304.865 3.354 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCCC1 ZINC001039403478 655697363 /nfs/dbraw/zinc/69/73/63/655697363.db2.gz YIDVPHRWXWIYLD-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001039411288 655699768 /nfs/dbraw/zinc/69/97/68/655699768.db2.gz OWOAXCHXLXDBLB-OYNZLANYSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cscc2C(F)F)C1 ZINC000971551394 655704504 /nfs/dbraw/zinc/70/45/04/655704504.db2.gz INYCJUOQZUAHKZ-JTQLQIEISA-N 0 3 300.374 3.018 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001022145526 655717909 /nfs/dbraw/zinc/71/79/09/655717909.db2.gz YWPPGXPVNRWOEA-TXEJJXNPSA-N 0 3 312.866 3.304 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCCC2 ZINC001039433842 655720879 /nfs/dbraw/zinc/72/08/79/655720879.db2.gz XPPQINGPIMVTHN-VXIBKDFQSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC000972310454 655787644 /nfs/dbraw/zinc/78/76/44/655787644.db2.gz FMRITMSTLLVSJT-VQIMIIECSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC000972422184 655797310 /nfs/dbraw/zinc/79/73/10/655797310.db2.gz XHQUCVSFDDKDON-AWEZNQCLSA-N 0 3 304.434 3.218 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2O[C@H](C)CC)C1 ZINC000972447667 655799793 /nfs/dbraw/zinc/79/97/93/655799793.db2.gz UBPVGZBLHQDINA-HZPDHXFCSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC000972489970 655806671 /nfs/dbraw/zinc/80/66/71/655806671.db2.gz UNTFFGBYLLGUBJ-OALUTQOASA-N 0 3 314.473 3.282 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2CCCCCCC2)C[C@@H]1C ZINC000947535881 655810355 /nfs/dbraw/zinc/81/03/55/655810355.db2.gz BOKIVTSXGKFVKQ-WMZOPIPTSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2coc3ccc(CC)cc23)C1 ZINC001023368242 655829995 /nfs/dbraw/zinc/82/99/95/655829995.db2.gz KDSZIEGUKVEURA-INIZCTEOSA-N 0 3 324.424 3.070 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H]2CCCN(C[C@H](F)CC)C2)CC1 ZINC001023572614 655844314 /nfs/dbraw/zinc/84/43/14/655844314.db2.gz JAIKBZKEFQBLJQ-DOTOQJQBSA-N 0 3 310.457 3.309 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001023613905 655848636 /nfs/dbraw/zinc/84/86/36/655848636.db2.gz PPCFNNLNVUDQAB-INDMIFKZSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001023763096 655862745 /nfs/dbraw/zinc/86/27/45/655862745.db2.gz CPJQEIYGFQCJJX-IRXDYDNUSA-N 0 3 312.457 3.275 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001023761635 655862777 /nfs/dbraw/zinc/86/27/77/655862777.db2.gz FPOJCKUFCMVYKT-HNNXBMFYSA-N 0 3 312.413 3.369 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC000972734381 655875421 /nfs/dbraw/zinc/87/54/21/655875421.db2.gz XWUFTJUEUKOCGE-HKUYNNGSSA-N 0 3 314.473 3.282 20 30 DGEDHN CN1CCN(C(=O)/C=C/c2ccccc2C#N)C2(CCCCC2)C1 ZINC000176994760 655886082 /nfs/dbraw/zinc/88/60/82/655886082.db2.gz JJAGFWPFQVJUOC-MDZDMXLPSA-N 0 3 323.440 3.048 20 30 DGEDHN COc1cc(F)cc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000179432581 655892771 /nfs/dbraw/zinc/89/27/71/655892771.db2.gz VJFKXGHLUNMJLY-CYBMUJFWSA-N 0 3 314.360 3.415 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001024453307 655906518 /nfs/dbraw/zinc/90/65/18/655906518.db2.gz HOPBVBKFUAIBNA-QZTJIDSGSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1scnc1CC ZINC001024471668 655908475 /nfs/dbraw/zinc/90/84/75/655908475.db2.gz JSOCOXQAZAPGGH-AWEZNQCLSA-N 0 3 321.490 3.256 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001024540299 655914706 /nfs/dbraw/zinc/91/47/06/655914706.db2.gz BNFZLKLSSXQWDK-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001024540977 655914920 /nfs/dbraw/zinc/91/49/20/655914920.db2.gz SQKHJOXHPMVJAB-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001024547421 655915553 /nfs/dbraw/zinc/91/55/53/655915553.db2.gz KFDDMZLCLSXVMU-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001024553487 655916312 /nfs/dbraw/zinc/91/63/12/655916312.db2.gz BGTVPWPRVHDJSS-KRWDZBQOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001024558217 655916650 /nfs/dbraw/zinc/91/66/50/655916650.db2.gz HDTLEJGXDYUSNI-OAHLLOKOSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024615388 655924165 /nfs/dbraw/zinc/92/41/65/655924165.db2.gz RQXNXXMUUJXIHU-HNNXBMFYSA-N 0 3 303.450 3.128 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001024618429 655924885 /nfs/dbraw/zinc/92/48/85/655924885.db2.gz UMLYFSNKEAZYIU-OAHLLOKOSA-N 0 3 302.418 3.011 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001024630854 655925917 /nfs/dbraw/zinc/92/59/17/655925917.db2.gz XZCSBEVLXWYRSX-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1scnc1C1CC1 ZINC001024696094 655931434 /nfs/dbraw/zinc/93/14/34/655931434.db2.gz FIUSJHYBFWLECR-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001024699628 655931797 /nfs/dbraw/zinc/93/17/97/655931797.db2.gz QQLRGBMCVPHCFX-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1sc(CC)nc1C ZINC001024708214 655932662 /nfs/dbraw/zinc/93/26/62/655932662.db2.gz WLCCTGSMOKOWDS-CQSZACIVSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001024760329 655936032 /nfs/dbraw/zinc/93/60/32/655936032.db2.gz SJYXEHORXOFWOZ-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1sccc1COC ZINC001024758650 655936348 /nfs/dbraw/zinc/93/63/48/655936348.db2.gz VVWSWUDNHWFGJT-OAHLLOKOSA-N 0 3 322.474 3.055 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cnc(C2CC2)s1 ZINC001024768629 655936954 /nfs/dbraw/zinc/93/69/54/655936954.db2.gz SPWIGLSZMHEDAZ-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cnc(C2CC2)s1 ZINC001024768628 655937033 /nfs/dbraw/zinc/93/70/33/655937033.db2.gz SPWIGLSZMHEDAZ-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001024775842 655937889 /nfs/dbraw/zinc/93/78/89/655937889.db2.gz JSUGUJCPKUPQSE-FQEVSTJZSA-N 0 3 320.436 3.447 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001024790302 655939309 /nfs/dbraw/zinc/93/93/09/655939309.db2.gz FEPCBXLBXXFTMG-HNNXBMFYSA-N 0 3 318.486 3.397 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001024790457 655939568 /nfs/dbraw/zinc/93/95/68/655939568.db2.gz JHOOTSAGCFMUMR-SFHVURJKSA-N 0 3 312.457 3.219 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024819957 655941986 /nfs/dbraw/zinc/94/19/86/655941986.db2.gz VAQOUXNWKXSISH-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C/Cl)C2)C1 ZINC001036815433 661207794 /nfs/dbraw/zinc/20/77/94/661207794.db2.gz FICLQVRFZNYFBE-STJXIEADSA-N 0 3 308.853 3.018 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001025069762 655963698 /nfs/dbraw/zinc/96/36/98/655963698.db2.gz OFOKEMDQMCIZMC-WMLDXEAASA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCSCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000181101216 655972666 /nfs/dbraw/zinc/97/26/66/655972666.db2.gz SSDQROBYSODNBP-JTQLQIEISA-N 0 3 303.349 3.444 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025195737 655975659 /nfs/dbraw/zinc/97/56/59/655975659.db2.gz MEVZENXJYUPZBQ-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1scnc1C ZINC001025198795 655975968 /nfs/dbraw/zinc/97/59/68/655975968.db2.gz RGJZXPFCDZOPIR-CABCVRRESA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196498 655977036 /nfs/dbraw/zinc/97/70/36/655977036.db2.gz VMZRUEBNQSVUSN-WOJBJXKFSA-N 0 3 324.468 3.477 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025197133 655977361 /nfs/dbraw/zinc/97/73/61/655977361.db2.gz GRIQNCBHITWYLI-IAGOWNOFSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001025197898 655977421 /nfs/dbraw/zinc/97/74/21/655977421.db2.gz LNUDSGAKUNDNCC-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C ZINC001025198343 655977720 /nfs/dbraw/zinc/97/77/20/655977720.db2.gz OPPJNTKMQJRBAT-DLBZAZTESA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025215614 655979669 /nfs/dbraw/zinc/97/96/69/655979669.db2.gz BPBCRECKPVPTCS-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cscc1C ZINC001025219030 655979718 /nfs/dbraw/zinc/97/97/18/655979718.db2.gz RUNJGKLDYVKJNP-IAGOWNOFSA-N 0 3 316.470 3.149 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001025228934 655982348 /nfs/dbraw/zinc/98/23/48/655982348.db2.gz DYHGJJFFNCSXAT-OALUTQOASA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCC(=C)CC1 ZINC001025263304 655986303 /nfs/dbraw/zinc/98/63/03/655986303.db2.gz KOQXKUVSSGSLJM-OALUTQOASA-N 0 3 314.473 3.212 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCC[C@H]2[C@H]2CCCN2CC#CC)C1 ZINC001025269074 655987155 /nfs/dbraw/zinc/98/71/55/655987155.db2.gz KKXLWCGORRRXMB-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C(C)C)CC1 ZINC001025268820 655987220 /nfs/dbraw/zinc/98/72/20/655987220.db2.gz GMUALXYYBUSGFA-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1csc(C)c1 ZINC001025276698 655988240 /nfs/dbraw/zinc/98/82/40/655988240.db2.gz KMBWBQDFOUZTLM-IAGOWNOFSA-N 0 3 316.470 3.149 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2sccc2Cl)C1 ZINC001025426935 656009586 /nfs/dbraw/zinc/00/95/86/656009586.db2.gz ZVUUVDIJKZABIS-QWHCGFSZSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2sccc2Cl)C1 ZINC001025426936 656009668 /nfs/dbraw/zinc/00/96/68/656009668.db2.gz ZVUUVDIJKZABIS-STQMWFEESA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC001025440921 656013923 /nfs/dbraw/zinc/01/39/23/656013923.db2.gz ZQZYVAIIPVMLQU-IRXDYDNUSA-N 0 3 312.457 3.274 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC001025473508 656018817 /nfs/dbraw/zinc/01/88/17/656018817.db2.gz FBZQHMQXZFVIOJ-CABCVRRESA-N 0 3 318.486 3.164 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC001025524169 656027962 /nfs/dbraw/zinc/02/79/62/656027962.db2.gz SYCAINRNUQJYOH-CABCVRRESA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC001025534103 656031174 /nfs/dbraw/zinc/03/11/74/656031174.db2.gz KBGNAUKISNVCQW-DOTOQJQBSA-N 0 3 323.440 3.022 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC001025540767 656032386 /nfs/dbraw/zinc/03/23/86/656032386.db2.gz ZEZACYYHPZXJBR-QZTJIDSGSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001025541217 656033252 /nfs/dbraw/zinc/03/32/52/656033252.db2.gz AKDXZRVBBOZLTO-MAUKXSAKSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001025553261 656034060 /nfs/dbraw/zinc/03/40/60/656034060.db2.gz SUBWBFGLZLZAFX-JXFKEZNVSA-N 0 3 322.452 3.110 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC001025563965 656037143 /nfs/dbraw/zinc/03/71/43/656037143.db2.gz GVYAWGKDVWTDTJ-CABCVRRESA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC001025611185 656047015 /nfs/dbraw/zinc/04/70/15/656047015.db2.gz JXFUUSSZLDYKOQ-MSOLQXFVSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC001025613794 656047546 /nfs/dbraw/zinc/04/75/46/656047546.db2.gz ARPHVUVWLYOZBN-HUUCEWRRSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC001025614565 656048467 /nfs/dbraw/zinc/04/84/67/656048467.db2.gz LWDLKHPVOOSAER-GDBMZVCRSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC001025615558 656048607 /nfs/dbraw/zinc/04/86/07/656048607.db2.gz WBTQHWVZXKUNCX-UKRRQHHQSA-N 0 3 316.470 3.089 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001025630608 656051758 /nfs/dbraw/zinc/05/17/58/656051758.db2.gz UOTQTKDHDIRXHV-NVXWUHKLSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C[C@H]1C ZINC000947684100 656136587 /nfs/dbraw/zinc/13/65/87/656136587.db2.gz FYCAKBIMDZEIJR-HIFRSBDPSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)C[C@H]1C ZINC000947686152 656149281 /nfs/dbraw/zinc/14/92/81/656149281.db2.gz USHXPZAPUBMYMD-PBHICJAKSA-N 0 3 309.413 3.004 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001008399641 656153705 /nfs/dbraw/zinc/15/37/05/656153705.db2.gz MBQCRTHUKKXXMQ-RHSMWYFYSA-N 0 3 318.848 3.047 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC001042327406 656181146 /nfs/dbraw/zinc/18/11/46/656181146.db2.gz NUEYSVOUQZICBI-CJNGLKHVSA-N 0 3 304.821 3.062 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974583737 656215523 /nfs/dbraw/zinc/21/55/23/656215523.db2.gz NWJMHRQSYPSIJC-JKSUJKDBSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc(Cl)c2C)C(C)(C)C1 ZINC000974622875 656218286 /nfs/dbraw/zinc/21/82/86/656218286.db2.gz SLPBQTSUXQXDSZ-INIZCTEOSA-N 0 3 318.848 3.112 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC000974678482 656221736 /nfs/dbraw/zinc/22/17/36/656221736.db2.gz BNRPWUDTFSDGRE-QGZVFWFLSA-N 0 3 315.461 3.081 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000299737986 656222890 /nfs/dbraw/zinc/22/28/90/656222890.db2.gz LHZSIDBIIKPVFW-PQDCBLBRSA-N 0 3 312.413 3.391 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)c(F)c2)C(C)(C)C1 ZINC000974805059 656230605 /nfs/dbraw/zinc/23/06/05/656230605.db2.gz CIIRGCJIBRTBJP-MRXNPFEDSA-N 0 3 304.409 3.150 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccc(Cl)c2)C(C)(C)C1 ZINC000974993375 656246934 /nfs/dbraw/zinc/24/69/34/656246934.db2.gz IVWSWNDMFLREEH-MRXNPFEDSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001008784598 656249120 /nfs/dbraw/zinc/24/91/20/656249120.db2.gz OHABLURHKRLDBZ-GJZGRUSLSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001008796910 656253852 /nfs/dbraw/zinc/25/38/52/656253852.db2.gz APAZKWLSPDDYFT-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)cc2Cl)C(C)(C)C1 ZINC000975078651 656254320 /nfs/dbraw/zinc/25/43/20/656254320.db2.gz IHXLONTWCJPDLY-INIZCTEOSA-N 0 3 318.848 3.112 20 30 DGEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001027361997 656296402 /nfs/dbraw/zinc/29/64/02/656296402.db2.gz HDYJDUVDNJVIMS-LJQANCHMSA-N 0 3 323.440 3.091 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)c3ccccc3c2)C1 ZINC001027436463 656306113 /nfs/dbraw/zinc/30/61/13/656306113.db2.gz YWDVDCJVGBAQGQ-KRWDZBQOSA-N 0 3 324.399 3.149 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccsc2C)C(C)(C)C1 ZINC000977210389 656316867 /nfs/dbraw/zinc/31/68/67/656316867.db2.gz KOBDHWQQPKATKW-HNNXBMFYSA-N 0 3 306.475 3.002 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2oc(C(C)C)nc2C)C(C)(C)C1 ZINC000977282316 656320347 /nfs/dbraw/zinc/32/03/47/656320347.db2.gz CSQLLIJVPYTXTO-AWEZNQCLSA-N 0 3 319.449 3.123 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3sccc3[nH]2)C(C)(C)C1 ZINC000977420341 656327763 /nfs/dbraw/zinc/32/77/63/656327763.db2.gz NLYFDZQSZAZMIE-OAHLLOKOSA-N 0 3 317.458 3.246 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)c2ccccc2)C(C)(C)C1 ZINC000977565765 656345561 /nfs/dbraw/zinc/34/55/61/656345561.db2.gz LBUWHGUTTWZWKU-QGZVFWFLSA-N 0 3 314.473 3.367 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)cc2Cl)C(C)(C)C1 ZINC000977580637 656346417 /nfs/dbraw/zinc/34/64/17/656346417.db2.gz BQGMLXNLNJWPBF-HNNXBMFYSA-N 0 3 324.827 3.495 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3cnccc32)C(C)(C)C1 ZINC000977596349 656346800 /nfs/dbraw/zinc/34/68/00/656346800.db2.gz SODLLTJMHNDFOI-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC000977601497 656346935 /nfs/dbraw/zinc/34/69/35/656346935.db2.gz GSUSCZLURFPDFZ-YOEHRIQHSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc3ccccc32)C(C)(C)C1 ZINC000977632413 656349040 /nfs/dbraw/zinc/34/90/40/656349040.db2.gz VDADJNORYYRZDZ-GOSISDBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2coc3ccccc23)C(C)(C)C1 ZINC000977653958 656353048 /nfs/dbraw/zinc/35/30/48/656353048.db2.gz FFSGVFRBDLXFQE-QGZVFWFLSA-N 0 3 312.413 3.449 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977659573 656353808 /nfs/dbraw/zinc/35/38/08/656353808.db2.gz CDVLVPWNBLVMNX-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)c3ccccc23)C1 ZINC001027595577 656370321 /nfs/dbraw/zinc/37/03/21/656370321.db2.gz BTGHGMHWFFOUKR-QGZVFWFLSA-N 0 3 320.436 3.318 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC001027605979 656373983 /nfs/dbraw/zinc/37/39/83/656373983.db2.gz ZNXCWMMVMLEQEN-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001027659751 656388210 /nfs/dbraw/zinc/38/82/10/656388210.db2.gz UHQRRYZURWEBRP-OALUTQOASA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001027670072 656391565 /nfs/dbraw/zinc/39/15/65/656391565.db2.gz QZEFSCMZVLATLG-DAWZGUTISA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc3c(s2)CCC3)CC1 ZINC001006368675 661258186 /nfs/dbraw/zinc/25/81/86/661258186.db2.gz DPPDITOZCKIUQK-UHFFFAOYSA-N 0 3 318.486 3.349 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001027699094 656399634 /nfs/dbraw/zinc/39/96/34/656399634.db2.gz XRPKSUQYYWPGGL-HKUYNNGSSA-N 0 3 302.462 3.069 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@H](NC(=O)C=C3CCC3)CC2)c1 ZINC001052297114 656426109 /nfs/dbraw/zinc/42/61/09/656426109.db2.gz ORSLVEQHIVUAAR-IBGZPJMESA-N 0 3 323.440 3.139 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3CCCC3)C[C@@H]2C1 ZINC000979505527 656433190 /nfs/dbraw/zinc/43/31/90/656433190.db2.gz SJGULBRVYDECFI-ARFHVFGLSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccsc3)C[C@H]2C1 ZINC000979528709 656434473 /nfs/dbraw/zinc/43/44/73/656434473.db2.gz IPPXOHDZHZXNJY-AEGPPILISA-N 0 3 324.877 3.331 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001052488836 656439112 /nfs/dbraw/zinc/43/91/12/656439112.db2.gz JXUDPMHQQWJKQK-QZTJIDSGSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2sc(CCC)nc2C)CC1 ZINC001006397824 661263333 /nfs/dbraw/zinc/26/33/33/661263333.db2.gz ASPILRWQRHSOAZ-UHFFFAOYSA-N 0 3 321.490 3.126 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2F)CC1 ZINC001052540135 656442559 /nfs/dbraw/zinc/44/25/59/656442559.db2.gz BKPTYMGCIXHCIY-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C2CCCCCCC2)CC1 ZINC001052550321 656443887 /nfs/dbraw/zinc/44/38/87/656443887.db2.gz QCPPFSFPYAXXSW-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC001052589807 656447160 /nfs/dbraw/zinc/44/71/60/656447160.db2.gz PGVRGUKHFPWYBG-FQEVSTJZSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC000980317973 656484488 /nfs/dbraw/zinc/48/44/88/656484488.db2.gz XULXGEUIJXLDFI-ZIAGYGMSSA-N 0 3 318.486 3.205 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001039384813 656491160 /nfs/dbraw/zinc/49/11/60/656491160.db2.gz OPDVQJJXYZWCBO-CVEARBPZSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000980352046 656491678 /nfs/dbraw/zinc/49/16/78/656491678.db2.gz DKOLLNPFWURJLA-LJQANCHMSA-N 0 3 308.425 3.101 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(F)c2ccccc2c1 ZINC001027922516 656492201 /nfs/dbraw/zinc/49/22/01/656492201.db2.gz DHLYIXUELYXWBZ-QGZVFWFLSA-N 0 3 324.399 3.196 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccccc12 ZINC001039400655 656494056 /nfs/dbraw/zinc/49/40/56/656494056.db2.gz ODJXMFHWPADSNN-CABCVRRESA-N 0 3 309.413 3.033 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001039421711 656498151 /nfs/dbraw/zinc/49/81/51/656498151.db2.gz OXLRCZWGIBSALR-CVEARBPZSA-N 0 3 315.461 3.222 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001039423371 656498305 /nfs/dbraw/zinc/49/83/05/656498305.db2.gz QPLKYTDDLHBFHT-SJORKVTESA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001027929910 656501007 /nfs/dbraw/zinc/50/10/07/656501007.db2.gz KVXHFYGHHHZTAJ-INIZCTEOSA-N 0 3 318.465 3.015 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccn2c1 ZINC001039447614 656503657 /nfs/dbraw/zinc/50/36/57/656503657.db2.gz VDCLCEJTIDNNSS-MJGOQNOKSA-N 0 3 323.440 3.194 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C=C)c1ccccc1 ZINC001039473658 656510754 /nfs/dbraw/zinc/51/07/54/656510754.db2.gz WZFRYFHHYFITIP-QYZOEREBSA-N 0 3 310.441 3.208 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c[nH]c3c2cccc3CC)C1 ZINC000980482868 656511963 /nfs/dbraw/zinc/51/19/63/656511963.db2.gz DCBUHASEFVIOIA-HNNXBMFYSA-N 0 3 311.429 3.063 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC000980550064 656523051 /nfs/dbraw/zinc/52/30/51/656523051.db2.gz JZNCCSRBVGTBKV-HTWSVDAQSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C)c1ccccc1 ZINC001040012224 656550006 /nfs/dbraw/zinc/55/00/06/656550006.db2.gz DAMRWGZVQOCPGW-CEXWTWQISA-N 0 3 312.457 3.430 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CC3CCCC3)C[C@@H]2C1 ZINC001049093604 656560340 /nfs/dbraw/zinc/56/03/40/656560340.db2.gz ITIVNZVCTFNNKZ-QRVBRYPASA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(C)c(F)ccc1Cl ZINC001027980266 656566624 /nfs/dbraw/zinc/56/66/24/656566624.db2.gz PGOVHNBYAQWWAK-ZDUSSCGKSA-N 0 3 322.811 3.005 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001040263222 656573025 /nfs/dbraw/zinc/57/30/25/656573025.db2.gz COMFRRWNQSLXKL-QFBILLFUSA-N 0 3 304.478 3.006 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001049290630 656591431 /nfs/dbraw/zinc/59/14/31/656591431.db2.gz FDDHYMKKRKUFBM-RBUKOAKNSA-N 0 3 323.440 3.090 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001049290628 656591761 /nfs/dbraw/zinc/59/17/61/656591761.db2.gz FDDHYMKKRKUFBM-MOPGFXCFSA-N 0 3 323.440 3.090 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1 ZINC001049293195 656592434 /nfs/dbraw/zinc/59/24/34/656592434.db2.gz RFUIOXYDDLVJAD-MOPGFXCFSA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1F ZINC001049293451 656592578 /nfs/dbraw/zinc/59/25/78/656592578.db2.gz TUIFHZSXVKACAA-SJORKVTESA-N 0 3 302.393 3.081 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@]3(C)CC=C(C)CC3)C2)C1 ZINC001040541298 656595218 /nfs/dbraw/zinc/59/52/18/656595218.db2.gz ZRFHABLWUDGQBH-PMACEKPBSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCCCC3(C)C)C2)C1 ZINC001040543236 656595419 /nfs/dbraw/zinc/59/54/19/656595419.db2.gz JDKMBZTXVURRQE-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3CCC=CCC3)C2)C1 ZINC001040536437 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C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001028028482 656617662 /nfs/dbraw/zinc/61/76/62/656617662.db2.gz BTJIWLZNTHGJMK-WMZOPIPTSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001028029659 656622459 /nfs/dbraw/zinc/62/24/59/656622459.db2.gz JBICSPCCJXSWNY-XJKSGUPXSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)cs1 ZINC001049458339 656623837 /nfs/dbraw/zinc/62/38/37/656623837.db2.gz GOLMSUUAZWIXIL-HUUCEWRRSA-N 0 3 304.459 3.312 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001049476913 656625972 /nfs/dbraw/zinc/62/59/72/656625972.db2.gz ZWGPSKKIGURGJE-BRWVUGGUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1F ZINC001049487110 656627544 /nfs/dbraw/zinc/62/75/44/656627544.db2.gz UGMTXWYOCQSODK-IRXDYDNUSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2cc(C)cn2c1 ZINC001049510546 656633228 /nfs/dbraw/zinc/63/32/28/656633228.db2.gz 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C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2ccccc2n1C ZINC001049676312 656662570 /nfs/dbraw/zinc/66/25/70/656662570.db2.gz NVVCPEDUDQHAJN-MSOLQXFVSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(C(F)F)c1 ZINC001049681008 656663484 /nfs/dbraw/zinc/66/34/84/656663484.db2.gz UPWQMLVOQROFCD-KGLIPLIRSA-N 0 3 324.371 3.472 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(CCN(C[C@H](F)CC)C3)C2)C1 ZINC001041654981 656663567 /nfs/dbraw/zinc/66/35/67/656663567.db2.gz BMUIWRRWHMTPEV-CRAIPNDOSA-N 0 3 308.441 3.015 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CC3CCCCCC3)C2)C1 ZINC001041712457 656668344 /nfs/dbraw/zinc/66/83/44/656668344.db2.gz OCBMEYYTHJGAOM-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)c3ccccc3C)C2)C1 ZINC001041723536 656669991 /nfs/dbraw/zinc/66/99/91/656669991.db2.gz ISFUCXSEEUEAOB-NQIIRXRSSA-N 0 3 324.468 3.046 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC001049715529 656672487 /nfs/dbraw/zinc/67/24/87/656672487.db2.gz 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C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1CCC ZINC001049838088 656695861 /nfs/dbraw/zinc/69/58/61/656695861.db2.gz AIBOYZGRHRQRKS-CVEARBPZSA-N 0 3 302.418 3.097 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C(F)F)c1 ZINC001049856874 656701799 /nfs/dbraw/zinc/70/17/99/656701799.db2.gz DWSZWYQKGCAXIK-HOTGVXAUSA-N 0 3 320.383 3.489 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001028096138 656705923 /nfs/dbraw/zinc/70/59/23/656705923.db2.gz VBNSSHGDYULGNM-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)s1 ZINC001049869346 656706290 /nfs/dbraw/zinc/70/62/90/656706290.db2.gz BWVCOYJQOFFPFQ-OLZOCXBDSA-N 0 3 322.861 3.104 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049877099 656709864 /nfs/dbraw/zinc/70/98/64/656709864.db2.gz SWSNFQKBXOXGTC-RBUKOAKNSA-N 0 3 310.441 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C2CC2)cc1 ZINC001049906011 656718269 /nfs/dbraw/zinc/71/82/69/656718269.db2.gz 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ZINC001042149149 656727335 /nfs/dbraw/zinc/72/73/35/656727335.db2.gz PAGZFSUPIVMNSI-HKUYNNGSSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001042183988 656731449 /nfs/dbraw/zinc/73/14/49/656731449.db2.gz SDWOURBKNUROJL-CVEARBPZSA-N 0 3 318.486 3.383 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccn(C(C)C)c3C)C[C@@H]21 ZINC001042197775 656733846 /nfs/dbraw/zinc/73/38/46/656733846.db2.gz GRTMDEXCMQAWOL-AEFFLSMTSA-N 0 3 315.461 3.100 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3coc(C(F)F)c3)C[C@H]21 ZINC001042200494 656735377 /nfs/dbraw/zinc/73/53/77/656735377.db2.gz DZKYXZXQARPXOL-TZMCWYRMSA-N 0 3 324.371 3.330 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3occc3C(C)C)C[C@H]21 ZINC001042203568 656735927 /nfs/dbraw/zinc/73/59/27/656735927.db2.gz NSGWACSPEMKJGJ-GDBMZVCRSA-N 0 3 302.418 3.125 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3C3CCC3)C[C@H]21 ZINC001042234322 656742175 /nfs/dbraw/zinc/74/21/75/656742175.db2.gz LGSRMKFKGZWTST-WMLDXEAASA-N 0 3 313.445 3.005 20 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CC#CCN1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001052843593 656775617 /nfs/dbraw/zinc/77/56/17/656775617.db2.gz NQGKTEIRHOUPHB-LJQANCHMSA-N 0 3 312.457 3.418 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC001052849653 656776427 /nfs/dbraw/zinc/77/64/27/656776427.db2.gz BBXVZKMARHAGOC-OLZOCXBDSA-N 0 3 324.877 3.109 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C(C)(C)C3CCCC3)C2)C1 ZINC000981817473 656777535 /nfs/dbraw/zinc/77/75/35/656777535.db2.gz WHFDXWGLPXKSLD-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)s2)CC1 ZINC001052863479 656778833 /nfs/dbraw/zinc/77/88/33/656778833.db2.gz OBLUAUZSOFZHSO-HNNXBMFYSA-N 0 3 316.470 3.233 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(C)csc2Cl)CC1 ZINC001052893517 656785153 /nfs/dbraw/zinc/78/51/53/656785153.db2.gz AZWVRIYWHRJIBM-CYBMUJFWSA-N 0 3 324.877 3.318 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3CCCCCCC3)C2)C1 ZINC000981881132 656793220 /nfs/dbraw/zinc/79/32/20/656793220.db2.gz ROIHOAAELLRVCT-UHFFFAOYSA-N 0 3 304.478 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/nfs/dbraw/zinc/21/60/29/687216029.db2.gz YKMYFVFNBHVWNJ-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC001076194247 687494043 /nfs/dbraw/zinc/49/40/43/687494043.db2.gz ZRZBOUPJNPPTHR-XJKSGUPXSA-N 0 3 322.811 3.202 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)c4ccccc34)[C@@H]2C1 ZINC001076294568 687505327 /nfs/dbraw/zinc/50/53/27/687505327.db2.gz RHVOSZRQYFFYMT-OXJNMPFZSA-N 0 3 320.436 3.481 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C=CCC4)[C@@H]2C1 ZINC001076352256 687511913 /nfs/dbraw/zinc/51/19/13/687511913.db2.gz USWXMNOJGOTUHO-VQTJNVASSA-N 0 3 322.452 3.368 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(CC)c(CC)c3)[C@@H]2C1 ZINC001076648978 687546117 /nfs/dbraw/zinc/54/61/17/687546117.db2.gz QHBVNALKJUOAMQ-RBUKOAKNSA-N 0 3 312.457 3.144 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)s2)C12CCC2 ZINC001078534207 687677835 /nfs/dbraw/zinc/67/78/35/687677835.db2.gz LINHSPIAYDBKPT-UONOGXRCSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cc(C)c(C)o2)C12CCC2 ZINC001078598642 687687562 /nfs/dbraw/zinc/68/75/62/687687562.db2.gz HUUOQWAUVUGWJF-HUUCEWRRSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)coc2C)C12CCC2 ZINC001078616920 687690015 /nfs/dbraw/zinc/69/00/15/687690015.db2.gz DGDJVAXKDFYIFE-KBPBESRZSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2C=CC=CC=C2)C12CCC2 ZINC001078637581 687695064 /nfs/dbraw/zinc/69/50/64/687695064.db2.gz REJGMTZJEAFJEC-HOTGVXAUSA-N 0 3 318.848 3.054 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001079950157 687907005 /nfs/dbraw/zinc/90/70/05/687907005.db2.gz DTJVVGSBGRQEDD-VBSBHUPXSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001080082691 687918890 /nfs/dbraw/zinc/91/88/90/687918890.db2.gz KJMDQWSGFCAKBF-CXAGYDPISA-N 0 3 311.429 3.103 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001080520800 687991488 /nfs/dbraw/zinc/99/14/88/687991488.db2.gz XTEUXCPDFZJKRD-CRAIPNDOSA-N 0 3 314.473 3.149 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001080789159 688012838 /nfs/dbraw/zinc/01/28/38/688012838.db2.gz SUTIHSHVAFMHMK-NVXWUHKLSA-N 0 3 324.424 3.123 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001080828613 688016492 /nfs/dbraw/zinc/01/64/92/688016492.db2.gz OERWIHQYVXMWHB-DNVCBOLYSA-N 0 3 308.425 3.005 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001080854811 688019535 /nfs/dbraw/zinc/01/95/35/688019535.db2.gz IIDFNNBOIXSPFZ-ZYHUDNBSSA-N 0 3 312.866 3.336 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001080974486 688030746 /nfs/dbraw/zinc/03/07/46/688030746.db2.gz YSNYZWWMKGHPFV-CKEIUWERSA-N 0 3 320.864 3.456 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CC2(C)CCCC2)C[C@H]1c1ccccc1 ZINC001081114020 688054602 /nfs/dbraw/zinc/05/46/02/688054602.db2.gz VXOHARAUPKXMRD-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC001576623943 1191855284 /nfs/dbraw/zinc/85/52/84/1191855284.db2.gz MWFGDADFUHXJGB-LMSBXDPUSA-N 0 3 313.445 3.191 20 30 DGEDHN CCCC[C@H](N)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001577404377 1191898007 /nfs/dbraw/zinc/89/80/07/1191898007.db2.gz VOJVLIQAAUMXJB-STQMWFEESA-N 0 3 314.216 3.192 20 30 DGEDHN CCCCCCCC[C@H](CO)NC(=O)c1cccc2c1CNC2 ZINC001577426289 1191900595 /nfs/dbraw/zinc/90/05/95/1191900595.db2.gz KKVAGGAPWBNHKE-MRXNPFEDSA-N 0 3 318.461 3.131 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC001577426293 1191900893 /nfs/dbraw/zinc/90/08/93/1191900893.db2.gz KUPDMOJIVVNHAE-HOTGVXAUSA-N 0 3 310.482 3.234 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCc2ncsc2C1 ZINC001577429978 1191901361 /nfs/dbraw/zinc/90/13/61/1191901361.db2.gz GGFLXQNRMZHXCN-KBPBESRZSA-N 0 3 323.506 3.195 20 30 DGEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)c2ccccc12 ZINC001579225102 1191969172 /nfs/dbraw/zinc/96/91/72/1191969172.db2.gz DWMPESCHXNLYPS-OAHLLOKOSA-N 0 3 311.385 3.198 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)c2cccc3c2CNC3)cc1 ZINC001579709502 1191988142 /nfs/dbraw/zinc/98/81/42/1191988142.db2.gz ZWZNURXUOILSNE-UHFFFAOYSA-N 0 3 305.381 3.159 20 30 DGEDHN N#Cc1ccccc1OCCN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001620575385 1192000429 /nfs/dbraw/zinc/00/04/29/1192000429.db2.gz OVDQQXDIRJKCRM-QUCCMNQESA-N 0 3 304.393 3.211 20 30 DGEDHN N[C@H](CC1CC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001580124132 1192008241 /nfs/dbraw/zinc/00/82/41/1192008241.db2.gz CUIRNVURUGHLBB-QGZVFWFLSA-N 0 3 310.422 3.214 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001661742965 1196638775 /nfs/dbraw/zinc/63/87/75/1196638775.db2.gz HLMHMXLXTPAUJN-ZWKOTPCHSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001584094740 1192177791 /nfs/dbraw/zinc/17/77/91/1192177791.db2.gz QWETXIVSXNMXSX-UHFFFAOYSA-N 0 3 324.415 3.457 20 30 DGEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588561267 1192449453 /nfs/dbraw/zinc/44/94/53/1192449453.db2.gz YNYFYHMFUMHELN-PVUWLOKVSA-N 0 3 309.417 3.188 20 30 DGEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588561267 1192449457 /nfs/dbraw/zinc/44/94/57/1192449457.db2.gz YNYFYHMFUMHELN-PVUWLOKVSA-N 0 3 309.417 3.188 20 30 DGEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588559795 1192449616 /nfs/dbraw/zinc/44/96/16/1192449616.db2.gz LKGBFQYYJKFLAE-YPMHNXCESA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588559795 1192449621 /nfs/dbraw/zinc/44/96/21/1192449621.db2.gz LKGBFQYYJKFLAE-YPMHNXCESA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559902 1192450117 /nfs/dbraw/zinc/45/01/17/1192450117.db2.gz LTDKGWOCNUEPKO-BBRMVZONSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559902 1192450120 /nfs/dbraw/zinc/45/01/20/1192450120.db2.gz LTDKGWOCNUEPKO-BBRMVZONSA-N 0 3 315.396 3.230 20 30 DGEDHN CCCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590592320 1192527804 /nfs/dbraw/zinc/52/78/04/1192527804.db2.gz NDEVKZVOXOFGDZ-UHFFFAOYSA-N 0 3 317.437 3.325 20 30 DGEDHN CCCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590592320 1192527806 /nfs/dbraw/zinc/52/78/06/1192527806.db2.gz NDEVKZVOXOFGDZ-UHFFFAOYSA-N 0 3 317.437 3.325 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(Cl)cc1 ZINC001596961620 1192713343 /nfs/dbraw/zinc/71/33/43/1192713343.db2.gz XMEGLQYIHNCSRO-HOTGVXAUSA-N 0 3 304.821 3.003 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)CCNC(=O)CC#Cc1ccccc1 ZINC001690998223 1176078167 /nfs/dbraw/zinc/07/81/67/1176078167.db2.gz GUZHORTXXQJWOT-SFHVURJKSA-N 0 3 320.436 3.237 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001691770968 1176157583 /nfs/dbraw/zinc/15/75/83/1176157583.db2.gz PNPGYMHUJXETCM-UMVBOHGHSA-N 0 3 322.399 3.476 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001670605202 1176189054 /nfs/dbraw/zinc/18/90/54/1176189054.db2.gz GLUKIONDZOYTQC-INIZCTEOSA-N 0 3 305.466 3.108 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001670623257 1176194446 /nfs/dbraw/zinc/19/44/46/1176194446.db2.gz CAJAFUIQHYDEEN-CQSZACIVSA-N 0 3 302.409 3.193 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001670636674 1176198691 /nfs/dbraw/zinc/19/86/91/1176198691.db2.gz YOAVNIWFWQMZBP-MRXNPFEDSA-N 0 3 305.466 3.108 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](CCC)c1ccccn1 ZINC001670683124 1176215690 /nfs/dbraw/zinc/21/56/90/1176215690.db2.gz ZNWZZLIGOSVHPB-DLBZAZTESA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC001691797279 1176223028 /nfs/dbraw/zinc/22/30/28/1176223028.db2.gz SROSXKDYNGWFFJ-RDJZCZTQSA-N 0 3 312.413 3.325 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001670730102 1176250689 /nfs/dbraw/zinc/25/06/89/1176250689.db2.gz RWVPMLZYWWFMFQ-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001691056053 1176281462 /nfs/dbraw/zinc/28/14/62/1176281462.db2.gz UMOCTOVDCLLQMB-INIZCTEOSA-N 0 3 318.486 3.017 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001691068202 1176291973 /nfs/dbraw/zinc/29/19/73/1176291973.db2.gz JQIASACWYKJARM-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001691068966 1176293073 /nfs/dbraw/zinc/29/30/73/1176293073.db2.gz SYSSNLDWLSHCRD-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1cc(C)sc1C ZINC001691069507 1176293190 /nfs/dbraw/zinc/29/31/90/1176293190.db2.gz KEIODWACBAKEON-MRXNPFEDSA-N 0 3 306.475 3.412 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@@H](C)F)CCCC1 ZINC001691074508 1176296476 /nfs/dbraw/zinc/29/64/76/1176296476.db2.gz BSMCZTSISJVOTQ-HZPDHXFCSA-N 0 3 310.457 3.404 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@@H](C)F)CCCC1 ZINC001691074506 1176296968 /nfs/dbraw/zinc/29/69/68/1176296968.db2.gz BSMCZTSISJVOTQ-CVEARBPZSA-N 0 3 310.457 3.404 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000399267291 1176297403 /nfs/dbraw/zinc/29/74/03/1176297403.db2.gz SJOSVFXUDQCJCU-GOSISDBHSA-N 0 3 319.452 3.459 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001691083927 1176300243 /nfs/dbraw/zinc/30/02/43/1176300243.db2.gz HIGWXVAVPAPCHQ-WOVMCDHWSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001691089515 1176302747 /nfs/dbraw/zinc/30/27/47/1176302747.db2.gz ODYQDWLTPCXDBA-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001691114298 1176321686 /nfs/dbraw/zinc/32/16/86/1176321686.db2.gz FEUGQYVNANIMLP-FZNQNYSPSA-N 0 3 316.420 3.166 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](NCc2cc(C)ns2)C1 ZINC001691162085 1176348628 /nfs/dbraw/zinc/34/86/28/1176348628.db2.gz UUNVLYYESRTEJP-RBSFLKMASA-N 0 3 321.490 3.038 20 30 DGEDHN CCCN(CCNC(=O)[C@H](C)C#N)[C@H](C)c1ccc(F)c(F)c1 ZINC001691177859 1176362620 /nfs/dbraw/zinc/36/26/20/1176362620.db2.gz STOHNXLIXXBDCH-CHWSQXEVSA-N 0 3 323.387 3.014 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C12CCC(CC1)CC2)c1ccccc1 ZINC001691800545 1176370270 /nfs/dbraw/zinc/37/02/70/1176370270.db2.gz JANXOKPZNPXOQS-MOMVYJMYSA-N 0 3 324.468 3.427 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(F)c(C)cc1F)C1CC1 ZINC001691213053 1176395475 /nfs/dbraw/zinc/39/54/75/1176395475.db2.gz IWMKYXVHCLCYRJ-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2cc(F)ccc2o1)C1CC1 ZINC001691227680 1176403303 /nfs/dbraw/zinc/40/33/03/1176403303.db2.gz DBYCISUCRMWBIS-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN C[C@@H](C#N)C(=O)NC[C@H](NCC1=CCCCC1)c1ccccc1 ZINC001691778816 1176404537 /nfs/dbraw/zinc/40/45/37/1176404537.db2.gz ZZMATIOJCRJWEW-YJBOKZPZSA-N 0 3 311.429 3.094 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2ccccc2)CCCC1)C1CC1 ZINC001691235218 1176407226 /nfs/dbraw/zinc/40/72/26/1176407226.db2.gz NOZLLXTZZLYCHC-UHFFFAOYSA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1csc(CC(C)C)n1)C1CC1 ZINC001691239638 1176408621 /nfs/dbraw/zinc/40/86/21/1176408621.db2.gz WTJNWOVCBOSVKI-UHFFFAOYSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001691410804 1176474186 /nfs/dbraw/zinc/47/41/86/1176474186.db2.gz UHZGMZURPFHVJJ-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C=C)c1ccccc1 ZINC001691416722 1176475636 /nfs/dbraw/zinc/47/56/36/1176475636.db2.gz OTZOEDVCZPKPHU-MJGOQNOKSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C=C)c1ccccc1 ZINC001691416723 1176477205 /nfs/dbraw/zinc/47/72/05/1176477205.db2.gz OTZOEDVCZPKPHU-PKOBYXMFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001691417037 1176477909 /nfs/dbraw/zinc/47/79/09/1176477909.db2.gz SSARLOOZKHMWNE-WFASDCNBSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001670735270 1176496861 /nfs/dbraw/zinc/49/68/61/1176496861.db2.gz XSWAEHHTPPMVTJ-WMLDXEAASA-N 0 3 320.864 3.285 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3(C)CCCC3)C(C)(C)[C@@H]21 ZINC001691427810 1176520185 /nfs/dbraw/zinc/52/01/85/1176520185.db2.gz FOKDPHHEHMCIEI-KBAYOESNSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(C[C@H](F)CC)CC(C)(C)C1 ZINC001750947294 1176576205 /nfs/dbraw/zinc/57/62/05/1176576205.db2.gz UOCHWOIXKPENSN-HZPDHXFCSA-N 0 3 310.457 3.145 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1sc(CC)nc1C)C(C)C ZINC001725734213 1176606450 /nfs/dbraw/zinc/60/64/50/1176606450.db2.gz WZKCDFCGQWPDSC-UHFFFAOYSA-N 0 3 323.506 3.372 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCNCc2ccc(F)c(Cl)c2)C1 ZINC001691467162 1176630439 /nfs/dbraw/zinc/63/04/39/1176630439.db2.gz FJCNCCJVXCWLIV-UHFFFAOYSA-N 0 3 324.827 3.383 20 30 DGEDHN C=CCC1(C(=O)NCCCN(C)Cc2cncc(C)c2)CCC1 ZINC001752059227 1176654022 /nfs/dbraw/zinc/65/40/22/1176654022.db2.gz WMMKPUGYKWJGLJ-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C#CCCCC(=O)N1CCC(C)(NC/C(Cl)=C/Cl)CC1 ZINC001755126976 1176741437 /nfs/dbraw/zinc/74/14/37/1176741437.db2.gz AAGDCWFGDXSZOE-QBFSEMIESA-N 0 3 317.260 3.080 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)SC)c1ccc(C(C)C)cc1 ZINC001691766479 1176781085 /nfs/dbraw/zinc/78/10/85/1176781085.db2.gz AUBWDKCAWLEGLH-WMLDXEAASA-N 0 3 320.502 3.494 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)c1ccccc1C ZINC001753864346 1176980580 /nfs/dbraw/zinc/98/05/80/1176980580.db2.gz IIQFTFKQRVZMRT-KRWDZBQOSA-N 0 3 302.462 3.455 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)cc1OC ZINC001755579668 1177068188 /nfs/dbraw/zinc/06/81/88/1177068188.db2.gz IIBBCRDGLPFNRK-ZDUSSCGKSA-N 0 3 324.852 3.251 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)[C@H]1CC ZINC001691522164 1177080118 /nfs/dbraw/zinc/08/01/18/1177080118.db2.gz WPHDFWDMOHZCEX-OYQYDDJWSA-N 0 3 324.468 3.391 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001088332182 1177127758 /nfs/dbraw/zinc/12/77/58/1177127758.db2.gz VFNUOYWAEUPTHU-OAHLLOKOSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H](C)NC/C=C/Cl)c1ccccc1 ZINC001752921588 1177442760 /nfs/dbraw/zinc/44/27/60/1177442760.db2.gz UVIPILLSFNDSFA-PAVULQLHSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)c2ccoc2)CC1 ZINC001670980153 1177561986 /nfs/dbraw/zinc/56/19/86/1177561986.db2.gz JJZFQGGDSSXFIH-UHFFFAOYSA-N 0 3 322.836 3.349 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001671694727 1177566173 /nfs/dbraw/zinc/56/61/73/1177566173.db2.gz WOKPXIGGTFJYGM-BEFAXECRSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001691669956 1177627699 /nfs/dbraw/zinc/62/76/99/1177627699.db2.gz DZUSMUKPAVKFQE-LSDHHAIUSA-N 0 3 319.449 3.128 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](CCC)C(C)C)C2)CC1 ZINC001671059800 1177649336 /nfs/dbraw/zinc/64/93/36/1177649336.db2.gz RFJWTAXRPVWZGR-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC001113738865 1177728605 /nfs/dbraw/zinc/72/86/05/1177728605.db2.gz IDJRSFRLVDINCW-WWDZGPRUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccc(C)s2)CC1 ZINC001113736402 1177729382 /nfs/dbraw/zinc/72/93/82/1177729382.db2.gz IPPWSZHUDGGZIA-OAHLLOKOSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001691736933 1177965195 /nfs/dbraw/zinc/96/51/95/1177965195.db2.gz IFGGWAUBMHBKRV-TXEJJXNPSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1cncs1)C(C)C ZINC001691744063 1177993969 /nfs/dbraw/zinc/99/39/69/1177993969.db2.gz HUOMXDRDFVPEQV-UHFFFAOYSA-N 0 3 323.506 3.462 20 30 DGEDHN C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001331001417 1178109629 /nfs/dbraw/zinc/10/96/29/1178109629.db2.gz WRQIJBVUBULXHH-HNNXBMFYSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001331001417 1178109632 /nfs/dbraw/zinc/10/96/32/1178109632.db2.gz WRQIJBVUBULXHH-HNNXBMFYSA-N 0 3 316.445 3.283 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001331406447 1178205519 /nfs/dbraw/zinc/20/55/19/1178205519.db2.gz NKHOVVRTEWFCFV-JKSUJKDBSA-N 0 3 318.436 3.050 20 30 DGEDHN CC(C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1)=C1CCC1 ZINC001331438686 1178213246 /nfs/dbraw/zinc/21/32/46/1178213246.db2.gz IZMLVUSTWDNYGI-GFCCVEGCSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cnccc2C)CCC1 ZINC001331549160 1178243553 /nfs/dbraw/zinc/24/35/53/1178243553.db2.gz UZHWCXOAOQUAMW-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CC(C)(C)C ZINC001331955746 1178319947 /nfs/dbraw/zinc/31/99/47/1178319947.db2.gz YNOIKQMTNRBGHT-SJLPKXTDSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCCCc2cccs2)C1 ZINC001332033331 1178341777 /nfs/dbraw/zinc/34/17/77/1178341777.db2.gz UNCCTFINSUXLDJ-HZPDHXFCSA-N 0 3 318.486 3.063 20 30 DGEDHN N#Cc1cc(NC(=O)[C@@H]2CNCc3ccccc32)ccc1C1CC1 ZINC001332077639 1178351182 /nfs/dbraw/zinc/35/11/82/1178351182.db2.gz RKRJSXRPQYWZBG-LJQANCHMSA-N 0 3 317.392 3.261 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccc(F)cc2)[C@@H]1C ZINC001332205926 1178392411 /nfs/dbraw/zinc/39/24/11/1178392411.db2.gz LYQRVALQMHAMFU-YJBOKZPZSA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cnc(C)s2)C(C)(C)C1 ZINC001332381384 1178432307 /nfs/dbraw/zinc/43/23/07/1178432307.db2.gz WCYOIMNVUFPIMS-OAHLLOKOSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](NC[C@@H](F)CC)C(C)(C)C2)CCC1 ZINC001332422883 1178442654 /nfs/dbraw/zinc/44/26/54/1178442654.db2.gz JVZYWNPLFSROAE-LSDHHAIUSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2ncccc21)C(C)C ZINC001332720812 1178482069 /nfs/dbraw/zinc/48/20/69/1178482069.db2.gz XMJGRHCRXGWZDK-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cncc(C#N)c1 ZINC001332736707 1178487136 /nfs/dbraw/zinc/48/71/36/1178487136.db2.gz WJDBRSLBZMDQHR-SJCJKPOMSA-N 0 3 315.804 3.472 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC001332734992 1178487461 /nfs/dbraw/zinc/48/74/61/1178487461.db2.gz HNLYUKLERFJKBP-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@]1(C)CCC(C)=C(C)C1)CCOC ZINC001332927804 1178523912 /nfs/dbraw/zinc/52/39/12/1178523912.db2.gz OBYXNDOUTPDDNE-LJQANCHMSA-N 0 3 322.493 3.154 20 30 DGEDHN C=CCCC(=O)NCC1=CCN(CCCc2ccsc2)CC1 ZINC001333304150 1178585217 /nfs/dbraw/zinc/58/52/17/1178585217.db2.gz KVWUOQTVSBCACO-UHFFFAOYSA-N 0 3 318.486 3.395 20 30 DGEDHN Cc1cc(CNCc2cccc(OCC#N)c2)c2c(n1)CCCC2 ZINC001335462943 1178914309 /nfs/dbraw/zinc/91/43/09/1178914309.db2.gz BNJGAKJUUUWROX-UHFFFAOYSA-N 0 3 321.424 3.461 20 30 DGEDHN CC(C)Oc1ccc([C@@H](O)CNCC#Cc2ccccc2)cc1 ZINC001335466774 1178915542 /nfs/dbraw/zinc/91/55/42/1178915542.db2.gz QRXXKHIUAPGCLP-FQEVSTJZSA-N 0 3 309.409 3.149 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC001335858270 1178964904 /nfs/dbraw/zinc/96/49/04/1178964904.db2.gz WPABCROOJPOQQY-DLBZAZTESA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC001341431378 1179006954 /nfs/dbraw/zinc/00/69/54/1179006954.db2.gz WDWQVHOBUIUULU-QGZVFWFLSA-N 0 3 322.399 3.354 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC001341490721 1179017811 /nfs/dbraw/zinc/01/78/11/1179017811.db2.gz NGZBSFWXZDPUPO-HNNXBMFYSA-N 0 3 319.449 3.144 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC001341605379 1179036236 /nfs/dbraw/zinc/03/62/36/1179036236.db2.gz NOCXQGBWLARRHJ-HNNXBMFYSA-N 0 3 319.424 3.438 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC001341613923 1179038820 /nfs/dbraw/zinc/03/88/20/1179038820.db2.gz MBKWOMPVTSCEIP-QZTJIDSGSA-N 0 3 315.461 3.100 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC001341616294 1179039522 /nfs/dbraw/zinc/03/95/22/1179039522.db2.gz QYIIECOMMBSBGC-YESZJQIVSA-N 0 3 310.482 3.092 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC001342230741 1179120795 /nfs/dbraw/zinc/12/07/95/1179120795.db2.gz GHVIIKMMSVAYLG-QZTJIDSGSA-N 0 3 317.477 3.450 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H](C)c1nccnc1C ZINC001342343753 1179132458 /nfs/dbraw/zinc/13/24/58/1179132458.db2.gz BNKNWFHCTWJLPU-LSDHHAIUSA-N 0 3 306.454 3.040 20 30 DGEDHN N#CC(C(=O)CCc1ccco1)c1nccn1Cc1ccccc1 ZINC001342519372 1179149339 /nfs/dbraw/zinc/14/93/39/1179149339.db2.gz MXBPFXTXLJQWOJ-KRWDZBQOSA-N 0 3 319.364 3.333 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC001342521230 1179149346 /nfs/dbraw/zinc/14/93/46/1179149346.db2.gz VQBLRJKHCMNROM-NXHRZFHOSA-N 0 3 313.445 3.192 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001342517678 1179149431 /nfs/dbraw/zinc/14/94/31/1179149431.db2.gz GKYYDLSKISWKIZ-KBMXLJTQSA-N 0 3 306.837 3.251 20 30 DGEDHN N#CC(C(=O)c1cccs1)c1nccn1Cc1ccccc1 ZINC001342522833 1179149461 /nfs/dbraw/zinc/14/94/61/1179149461.db2.gz YYXBNRQQJBOJHS-CQSZACIVSA-N 0 3 307.378 3.483 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)C[C@H](C)CC ZINC001342918523 1179209259 /nfs/dbraw/zinc/20/92/59/1179209259.db2.gz LERKDEQYMWLHKY-HZPDHXFCSA-N 0 3 319.497 3.146 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCSc1ccc(F)cc1 ZINC001344874491 1179489430 /nfs/dbraw/zinc/48/94/30/1179489430.db2.gz BKTKLALYFYVHKW-AWEZNQCLSA-N 0 3 317.389 3.401 20 30 DGEDHN C#CCC[C@H](O)CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001621052450 1192969340 /nfs/dbraw/zinc/96/93/40/1192969340.db2.gz XKTQIIHLCXUVPW-HNNXBMFYSA-N 0 3 303.789 3.464 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001346095424 1179651838 /nfs/dbraw/zinc/65/18/38/1179651838.db2.gz DPCDGQGBZZNXEA-DTWKUNHWSA-N 0 3 301.724 3.075 20 30 DGEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137530 1179782395 /nfs/dbraw/zinc/78/23/95/1179782395.db2.gz OSHZLDBSGHQKJD-DOGVGXBMSA-N 0 3 301.708 3.159 20 30 DGEDHN COCCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001347993031 1179825711 /nfs/dbraw/zinc/82/57/11/1179825711.db2.gz LCBUCUIYEGJELF-GFCCVEGCSA-N 0 3 308.328 3.133 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1ccc(C)cc1Br ZINC001348111137 1179828862 /nfs/dbraw/zinc/82/88/62/1179828862.db2.gz RSGGFMUOCPGSQU-AWEZNQCLSA-N 0 3 310.235 3.276 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCc1ccccc1 ZINC001349701619 1179935118 /nfs/dbraw/zinc/93/51/18/1179935118.db2.gz HKZQCWHDVUNPFF-ZDUSSCGKSA-N 0 3 301.777 3.273 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nc2c(cccc2Cl)[nH]1 ZINC001349759852 1179945190 /nfs/dbraw/zinc/94/51/90/1179945190.db2.gz DJEJZWOIMDRKLS-BIIVOSGPSA-N 0 3 309.703 3.294 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602825474 1192998542 /nfs/dbraw/zinc/99/85/42/1192998542.db2.gz XOOAIFLLGMGCNQ-CZUORRHYSA-N 0 3 315.396 3.230 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602825474 1192998545 /nfs/dbraw/zinc/99/85/45/1192998545.db2.gz XOOAIFLLGMGCNQ-CZUORRHYSA-N 0 3 315.396 3.230 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001350314171 1180050595 /nfs/dbraw/zinc/05/05/95/1180050595.db2.gz NETPNSRKKWDDLQ-OAHLLOKOSA-N 0 3 310.507 3.067 20 30 DGEDHN C=C(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC001350814038 1180125973 /nfs/dbraw/zinc/12/59/73/1180125973.db2.gz CZBGPPICBZYUDV-UHFFFAOYSA-N 0 3 301.434 3.042 20 30 DGEDHN C#C[C@H](CC)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001621319175 1193023691 /nfs/dbraw/zinc/02/36/91/1193023691.db2.gz YNOXLAQUVPZCKN-MRXNPFEDSA-N 0 3 302.418 3.213 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 ZINC001300140321 1180417286 /nfs/dbraw/zinc/41/72/86/1180417286.db2.gz DGKHIQAZRLWFCW-KRWDZBQOSA-N 0 3 313.445 3.017 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(OC(C)C)CC1 ZINC001353211679 1180496308 /nfs/dbraw/zinc/49/63/08/1180496308.db2.gz IQOFFEIOJIBQOS-QGZVFWFLSA-N 0 3 312.498 3.480 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100567810 1180796157 /nfs/dbraw/zinc/79/61/57/1180796157.db2.gz CHMJRKOXBAAMSG-UHFFFAOYSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cc(C)ccc2F)C1 ZINC001100569260 1180798673 /nfs/dbraw/zinc/79/86/73/1180798673.db2.gz UCLTXLIVABEDCA-UHFFFAOYSA-N 0 3 318.436 3.331 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001100570147 1180800671 /nfs/dbraw/zinc/80/06/71/1180800671.db2.gz GGRCSJPNOVGZCU-UHFFFAOYSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2ccncc2Cl)C1 ZINC001100622178 1180858399 /nfs/dbraw/zinc/85/83/99/1180858399.db2.gz DIZBICMLBXZNCV-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100643850 1180884664 /nfs/dbraw/zinc/88/46/64/1180884664.db2.gz QUOBNZTYGQTAFE-GSQSYGFSSA-N 0 3 318.436 3.412 20 30 DGEDHN N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCCCC1 ZINC001472835215 1180898724 /nfs/dbraw/zinc/89/87/24/1180898724.db2.gz XBVWRALMTUXJLO-OAHLLOKOSA-N 0 3 314.389 3.285 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC001200782959 1180904779 /nfs/dbraw/zinc/90/47/79/1180904779.db2.gz HEUNDIOXSFTPDO-UHFFFAOYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2ccccc2C)C1 ZINC001100703431 1180945088 /nfs/dbraw/zinc/94/50/88/1180945088.db2.gz HEYYVZQIUQULLM-UHFFFAOYSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)CC1(C)C ZINC001355134676 1180993572 /nfs/dbraw/zinc/99/35/72/1180993572.db2.gz OZSRFBBSLSPSOC-LSDHHAIUSA-N 0 3 306.837 3.251 20 30 DGEDHN C[C@@H]1CC(NN=Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001356021972 1181127500 /nfs/dbraw/zinc/12/75/00/1181127500.db2.gz BSSYGCBPWQHBJI-HUUCEWRRSA-N 0 3 301.434 3.166 20 30 DGEDHN C=C1CCC(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC001356191623 1181154868 /nfs/dbraw/zinc/15/48/68/1181154868.db2.gz FBSFYNAVWRUFNK-UHFFFAOYSA-N 0 3 322.518 3.211 20 30 DGEDHN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC001356293203 1181170381 /nfs/dbraw/zinc/17/03/81/1181170381.db2.gz BWYCZAATUOKXKW-IRXDYDNUSA-N 0 3 317.433 3.016 20 30 DGEDHN C=CCN(C)CCN(CC)c1cc(Cl)nc(C2CCC2)n1 ZINC001651187257 1195424927 /nfs/dbraw/zinc/42/49/27/1195424927.db2.gz QQRVVELFWURZSI-UHFFFAOYSA-N 0 3 308.857 3.342 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C1CCOCC1 ZINC001357587387 1181411627 /nfs/dbraw/zinc/41/16/27/1181411627.db2.gz ITGDRFXNHVBGNI-QZTJIDSGSA-N 0 3 324.509 3.482 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)N2C[C@@H](C)OC(C)(C)C2)CCCC1(C)C ZINC001473432481 1181526250 /nfs/dbraw/zinc/52/62/50/1181526250.db2.gz MOTHELHSDBHXNS-CVEARBPZSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001360019321 1181615645 /nfs/dbraw/zinc/61/56/45/1181615645.db2.gz KGECLPSXUXGGES-OAHLLOKOSA-N 0 3 306.425 3.318 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)c1ccccc1Cl ZINC001492818557 1181714595 /nfs/dbraw/zinc/71/45/95/1181714595.db2.gz ZBUMSCVWBSIIFT-UHFFFAOYSA-N 0 3 308.853 3.242 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)(C)C)Cc1cc(C)sc1C ZINC001492949976 1181747591 /nfs/dbraw/zinc/74/75/91/1181747591.db2.gz DVNUVBCHHUFAPL-UHFFFAOYSA-N 0 3 320.502 3.353 20 30 DGEDHN CCC(C#N)C(=O)N=c1sccn1Cc1ccccc1Cl ZINC001443288666 1182098526 /nfs/dbraw/zinc/09/85/26/1182098526.db2.gz JWYRWZHZRCTDPC-NSHDSACASA-N 0 3 319.817 3.228 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(C)(F)F)cc1 ZINC001448875825 1182217176 /nfs/dbraw/zinc/21/71/76/1182217176.db2.gz XWAOXMUTOGYDLI-UHFFFAOYSA-N 0 3 310.388 3.378 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1NCCN1CC=CCC1 ZINC001458359609 1182517801 /nfs/dbraw/zinc/51/78/01/1182517801.db2.gz OTGUDRGMRVWQSY-UHFFFAOYSA-N 0 3 312.804 3.434 20 30 DGEDHN COCC#CCN(Cc1cccc(Br)c1)CC1CC1 ZINC001460058089 1182646106 /nfs/dbraw/zinc/64/61/06/1182646106.db2.gz AIEOLNXGEONGHW-UHFFFAOYSA-N 0 3 322.246 3.311 20 30 DGEDHN N#Cc1cccc([C@H](O)CN[C@H](c2ccccn2)C2CCC2)c1 ZINC001460484502 1182690669 /nfs/dbraw/zinc/69/06/69/1182690669.db2.gz MXHGPWBLFSIFMW-MOPGFXCFSA-N 0 3 307.397 3.118 20 30 DGEDHN C#CCC1(NCc2cc(Br)ccc2OC)CCC1 ZINC001460818771 1182726123 /nfs/dbraw/zinc/72/61/23/1182726123.db2.gz JRVBZTWKOJLLEB-UHFFFAOYSA-N 0 3 308.219 3.493 20 30 DGEDHN N#CC1(CCCCN[C@@H](CO)c2cc(F)ccc2F)CCC1 ZINC001460953720 1182745763 /nfs/dbraw/zinc/74/57/63/1182745763.db2.gz RPIANRNTRHXLSM-INIZCTEOSA-N 0 3 308.372 3.452 20 30 DGEDHN COc1cc(CNCc2ccc3scnc3c2)ccc1C#N ZINC001461486387 1182819123 /nfs/dbraw/zinc/81/91/23/1182819123.db2.gz HORBTJVOTOGBCW-UHFFFAOYSA-N 0 3 309.394 3.466 20 30 DGEDHN C[C@H](CC#N)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001461724046 1182846734 /nfs/dbraw/zinc/84/67/34/1182846734.db2.gz JFNYLCAFAWDPHQ-GFCCVEGCSA-N 0 3 309.816 3.335 20 30 DGEDHN O=C1[C@H]([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CCCN1[O-] ZINC001462405363 1182948293 /nfs/dbraw/zinc/94/82/93/1182948293.db2.gz QZVYPFQDLPDZPL-BRWVUGGUSA-N 0 3 302.418 3.073 20 30 DGEDHN CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC001462406364 1182949083 /nfs/dbraw/zinc/94/90/83/1182949083.db2.gz RTRPWHIATDMOON-VKJFTORMSA-N 0 3 318.461 3.347 20 30 DGEDHN CN(C)C1(C(=O)Nc2cccc(OCCCC#N)c2)CCCC1 ZINC001464291676 1183082359 /nfs/dbraw/zinc/08/23/59/1183082359.db2.gz DMZHUVHDJCYRER-UHFFFAOYSA-N 0 3 315.417 3.182 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1-c1ccccc1 ZINC001465139933 1183131945 /nfs/dbraw/zinc/13/19/45/1183131945.db2.gz REMXMUKCHWSWFE-UHFFFAOYSA-N 0 3 321.424 3.430 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001467727211 1183285161 /nfs/dbraw/zinc/28/51/61/1183285161.db2.gz AGVSZBWMHKGCSX-UHFFFAOYSA-N 0 3 313.445 3.068 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001470309815 1183478126 /nfs/dbraw/zinc/47/81/26/1183478126.db2.gz GTPJPYFKCVRWGN-MRXNPFEDSA-N 0 3 321.440 3.330 20 30 DGEDHN CC[C@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001473209621 1183730106 /nfs/dbraw/zinc/73/01/06/1183730106.db2.gz ZZORNLHYMYONRZ-ISXWCOSWSA-N 0 3 319.493 3.428 20 30 DGEDHN CC[C@H]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001473209622 1183730416 /nfs/dbraw/zinc/73/04/16/1183730416.db2.gz ZZORNLHYMYONRZ-VIHIWDAPSA-N 0 3 319.493 3.428 20 30 DGEDHN Cn1cc([C@@H](NCCc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC001473377190 1183750251 /nfs/dbraw/zinc/75/02/51/1183750251.db2.gz NZFKFHWOXIPVBO-FQEVSTJZSA-N 0 3 316.408 3.213 20 30 DGEDHN C=C(Br)CN(CCC)CCN1CCCCCC1 ZINC001473515971 1183769255 /nfs/dbraw/zinc/76/92/55/1183769255.db2.gz WXAQRSLDNALWHT-UHFFFAOYSA-N 0 3 303.288 3.483 20 30 DGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001473685413 1183789979 /nfs/dbraw/zinc/78/99/79/1183789979.db2.gz VTRWXCHLUIWLOY-LBPRGKRZSA-N 0 3 307.353 3.450 20 30 DGEDHN C#CCN(CCOC[C@@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC001473825722 1183807909 /nfs/dbraw/zinc/80/79/09/1183807909.db2.gz DEDVSTOWEBXJTI-AZUAARDMSA-N 0 3 313.441 3.195 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C#CC(C)(C)C ZINC001496053802 1184087300 /nfs/dbraw/zinc/08/73/00/1184087300.db2.gz JPRNTWCKQZVLRX-CABCVRRESA-N 0 3 318.436 3.373 20 30 DGEDHN C#C[C@@H](CCC)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001478896794 1184184729 /nfs/dbraw/zinc/18/47/29/1184184729.db2.gz RIPFSKRXKLKDFR-JKSUJKDBSA-N 0 3 321.852 3.044 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001479228679 1184211802 /nfs/dbraw/zinc/21/18/02/1184211802.db2.gz UQBRHUGAVARCJG-MRXNPFEDSA-N 0 3 304.434 3.317 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCC=C)CCCCC1 ZINC001479271443 1184224288 /nfs/dbraw/zinc/22/42/88/1184224288.db2.gz SVCIRKWFBNIPNQ-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001479371462 1184240101 /nfs/dbraw/zinc/24/01/01/1184240101.db2.gz QMFZREYHFHZMJV-AVGNSLFASA-N 0 3 320.811 3.049 20 30 DGEDHN C/C=C(/C)C(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001479682667 1184288028 /nfs/dbraw/zinc/28/80/28/1184288028.db2.gz JESISCLILYQXEW-LVQDSQLDSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)[C@H]1C ZINC001479721061 1184300951 /nfs/dbraw/zinc/30/09/51/1184300951.db2.gz LCBGVRTYUOJQNO-JZXOWHBKSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccn(C(C)C)c1C ZINC001479738361 1184307827 /nfs/dbraw/zinc/30/78/27/1184307827.db2.gz HDUOSDZJPJOCIV-KRWDZBQOSA-N 0 3 317.477 3.490 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(C)Cc1cc(C)ccc1OC ZINC001479788663 1184326700 /nfs/dbraw/zinc/32/67/00/1184326700.db2.gz AJXYWCMCKNLCSE-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccncc1C ZINC001479823845 1184339049 /nfs/dbraw/zinc/33/90/49/1184339049.db2.gz QDNSGTPPFOWUMU-GOEBONIOSA-N 0 3 321.852 3.115 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(F)c2ccccc12)C1CC1 ZINC001479876545 1184360890 /nfs/dbraw/zinc/36/08/90/1184360890.db2.gz NLJWTOMAFCBNPK-UHFFFAOYSA-N 0 3 324.399 3.196 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001479963030 1184395935 /nfs/dbraw/zinc/39/59/35/1184395935.db2.gz KSCISVWUMWMLPO-QUCCMNQESA-N 0 3 314.473 3.330 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCN(CCOC(C)C)C2)CCCCC1 ZINC001479965527 1184396657 /nfs/dbraw/zinc/39/66/57/1184396657.db2.gz CHCCNJQYOQPXNE-KRWDZBQOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001480100040 1184434396 /nfs/dbraw/zinc/43/43/96/1184434396.db2.gz SXHAOVBKXRHKPY-LJISPDSOSA-N 0 3 314.420 3.308 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001480115128 1184437936 /nfs/dbraw/zinc/43/79/36/1184437936.db2.gz LBOCRLPAXSUYAI-HIFRSBDPSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](NC[C@@H](F)CC)C2)CCCCC1 ZINC001480122121 1184440401 /nfs/dbraw/zinc/44/04/01/1184440401.db2.gz NRAVCNCAFAPIKF-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](NC[C@H](F)CC)C2)CCCCC1 ZINC001480122120 1184440720 /nfs/dbraw/zinc/44/07/20/1184440720.db2.gz NRAVCNCAFAPIKF-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C[C@H](N[C@H]1C[C@H](NC(=O)C#CC2CC2)C1)c1ccccc1Cl ZINC001480139027 1184442808 /nfs/dbraw/zinc/44/28/08/1184442808.db2.gz MNGAWHBMVMOFLY-QEJZJMRPSA-N 0 3 316.832 3.051 20 30 DGEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC001480177036 1184452781 /nfs/dbraw/zinc/45/27/81/1184452781.db2.gz FIGIEYZNDVWOBH-GOOCMWNKSA-N 0 3 319.474 3.029 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCC2CCCC2)C1 ZINC001480385184 1184516246 /nfs/dbraw/zinc/51/62/46/1184516246.db2.gz BISYVQZNXXXCJB-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](C)NCc1c(F)cccc1Cl ZINC001480763725 1184602291 /nfs/dbraw/zinc/60/22/91/1184602291.db2.gz WLOMEHVUUMNWRD-CYBMUJFWSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)cc(Cl)c1 ZINC001480779676 1184605026 /nfs/dbraw/zinc/60/50/26/1184605026.db2.gz KACWZPVKTBFNQN-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncsc1C(C)C ZINC001480804187 1184612305 /nfs/dbraw/zinc/61/23/05/1184612305.db2.gz QUHOEDKJZNSGRO-NSHDSACASA-N 0 3 315.870 3.117 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001480805727 1184613607 /nfs/dbraw/zinc/61/36/07/1184613607.db2.gz WCNWJOGSUQGBQN-IILDEKEXSA-N 0 3 324.896 3.440 20 30 DGEDHN C/C=C(/C)C(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001480821380 1184620299 /nfs/dbraw/zinc/62/02/99/1184620299.db2.gz WUAJWBCCBPMHQF-LVQDSQLDSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001493235863 1184672688 /nfs/dbraw/zinc/67/26/88/1184672688.db2.gz YNKLWFZWPUANMU-LPHOPBHVSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(c2ccccc2)CCC1)C1CC1 ZINC001493388307 1184698719 /nfs/dbraw/zinc/69/87/19/1184698719.db2.gz FZDKJUHTTAVSPJ-UHFFFAOYSA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1csc(C(C)(C)C)n1)C1CC1 ZINC001493427822 1184706023 /nfs/dbraw/zinc/70/60/23/1184706023.db2.gz UCFSSMHWGALWKT-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCN(CCNC(=O)C(C)(C)c1ccc(C)cc1)C1CC1 ZINC001493436814 1184707273 /nfs/dbraw/zinc/70/72/73/1184707273.db2.gz ZKHLNGSVFVLLND-UHFFFAOYSA-N 0 3 300.446 3.039 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC001493449703 1184708967 /nfs/dbraw/zinc/70/89/67/1184708967.db2.gz NPVHFMDZGQYGBY-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001493760129 1184736186 /nfs/dbraw/zinc/73/61/86/1184736186.db2.gz RRWBJEHEFHKEGB-MRXNPFEDSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)c1ccco1)c1ccccc1 ZINC001493898285 1184761315 /nfs/dbraw/zinc/76/13/15/1184761315.db2.gz JWGJNKVPPIOBSL-WBVHZDCISA-N 0 3 312.413 3.406 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1cccc(C)c1)c1ccccc1 ZINC001493896000 1184761338 /nfs/dbraw/zinc/76/13/38/1184761338.db2.gz IHKWKOKHNNTUDD-LJQANCHMSA-N 0 3 308.425 3.171 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C2CC2)cn1)c1ccccc1 ZINC001493903298 1184762499 /nfs/dbraw/zinc/76/24/99/1184762499.db2.gz JGLZWVBRHDJUKR-LJQANCHMSA-N 0 3 321.424 3.206 20 30 DGEDHN C=CCCCC(=O)N(CCC)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001493959953 1184776176 /nfs/dbraw/zinc/77/61/76/1184776176.db2.gz JKNUOCMOLRTQJL-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001493962896 1184777928 /nfs/dbraw/zinc/77/79/28/1184777928.db2.gz DRYZPFUEEYWELR-ZIAGYGMSSA-N 0 3 320.399 3.464 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001493968011 1184779046 /nfs/dbraw/zinc/77/90/46/1184779046.db2.gz NTUFJBRINJVCDZ-FGTMMUONSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001494638909 1184897692 /nfs/dbraw/zinc/89/76/92/1184897692.db2.gz CKXLTHUIWFEXAL-COXVUDFISA-N 0 3 302.393 3.079 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)nc1 ZINC001494658423 1184899698 /nfs/dbraw/zinc/89/96/98/1184899698.db2.gz IGNJTKAFOIGNJH-IRXDYDNUSA-N 0 3 313.445 3.070 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1C ZINC001494668384 1184903769 /nfs/dbraw/zinc/90/37/69/1184903769.db2.gz OYZFYUUNYHKMEZ-OALUTQOASA-N 0 3 312.457 3.097 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C1CC1 ZINC001494680425 1184905504 /nfs/dbraw/zinc/90/55/04/1184905504.db2.gz PCGRTTSLPZWIKX-KBMXLJTQSA-N 0 3 313.445 3.146 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1F ZINC001494678535 1184905783 /nfs/dbraw/zinc/90/57/83/1184905783.db2.gz LVGQJHWRUNUFQX-PMPSAXMXSA-N 0 3 316.420 3.181 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2cc(C)sc2C)C1 ZINC001494737587 1184916733 /nfs/dbraw/zinc/91/67/33/1184916733.db2.gz KFJKPWBRRISSID-KRWDZBQOSA-N 0 3 320.502 3.454 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)CCC1 ZINC001494773152 1184921973 /nfs/dbraw/zinc/92/19/73/1184921973.db2.gz CXFQMWAHYSNWGA-GOSISDBHSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001494905458 1184959225 /nfs/dbraw/zinc/95/92/25/1184959225.db2.gz ILJQIAJHSYMIKV-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC/C=C/c2ccccc2)C1 ZINC001494911213 1184960973 /nfs/dbraw/zinc/96/09/73/1184960973.db2.gz SVVUEDOHJMIWRC-SQSZOCELSA-N 0 3 324.468 3.426 20 30 DGEDHN C=C[C@@H](C(=O)N(CC)[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001494926758 1184963958 /nfs/dbraw/zinc/96/39/58/1184963958.db2.gz YLAVJOXHSCCNDU-RBUKOAKNSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1ccccc1F ZINC001495050474 1184988326 /nfs/dbraw/zinc/98/83/26/1184988326.db2.gz ORUPSBRTYCEICS-YJBOKZPZSA-N 0 3 306.425 3.412 20 30 DGEDHN C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001609124127 1193325680 /nfs/dbraw/zinc/32/56/80/1193325680.db2.gz XVIOPGYXHLIRFX-CYBMUJFWSA-N 0 3 312.421 3.237 20 30 DGEDHN C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001609124127 1193325681 /nfs/dbraw/zinc/32/56/81/1193325681.db2.gz XVIOPGYXHLIRFX-CYBMUJFWSA-N 0 3 312.421 3.237 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(C)(CC)CC)cc1 ZINC001495509165 1185066672 /nfs/dbraw/zinc/06/66/72/1185066672.db2.gz ORHYSFOTNFPLIT-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001495600256 1185078590 /nfs/dbraw/zinc/07/85/90/1185078590.db2.gz ZHCHQNDJJNQJMY-OQFOIZHKSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2c(C)onc2CC)CCCC1 ZINC001495899108 1185111387 /nfs/dbraw/zinc/11/13/87/1185111387.db2.gz KHORQNCWZFRVOZ-UHFFFAOYSA-N 0 3 319.449 3.030 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCCCCOCC)CC2 ZINC001495980883 1185121283 /nfs/dbraw/zinc/12/12/83/1185121283.db2.gz PCBOKAVSSBNARP-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C1CC2(CCC2)C1 ZINC001496139285 1185139378 /nfs/dbraw/zinc/13/93/78/1185139378.db2.gz OEYUNUCAOSTITK-KRWDZBQOSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001496254569 1185155457 /nfs/dbraw/zinc/15/54/57/1185155457.db2.gz MKAFHDHZCGVENS-HNNXBMFYSA-N 0 3 304.434 3.093 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2nccs2)[C@@H](C)C1 ZINC001496362197 1185174893 /nfs/dbraw/zinc/17/48/93/1185174893.db2.gz YKKZWLNOZRPFRD-KBPBESRZSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CCNCc1cnc(C)o1 ZINC001496412198 1185182918 /nfs/dbraw/zinc/18/29/18/1185182918.db2.gz BLOIPBVSGDIVBE-INIZCTEOSA-N 0 3 319.449 3.200 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001496792397 1185248408 /nfs/dbraw/zinc/24/84/08/1185248408.db2.gz OSEQHPGFALRSDR-UHFFFAOYSA-N 0 3 320.864 3.031 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H]3[C@@H](CCN3CCF)C2)CCCC1 ZINC001496867054 1185260449 /nfs/dbraw/zinc/26/04/49/1185260449.db2.gz DBLWQEUMNZOPFH-HOTGVXAUSA-N 0 3 308.441 3.015 20 30 DGEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)CC1CCCC1 ZINC001497131912 1185281548 /nfs/dbraw/zinc/28/15/48/1185281548.db2.gz KBDQAZBHTSVGMI-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCN(CCNCc1ccc(C)c(F)c1)C(=O)C#CC(C)(C)C ZINC001497391124 1185327023 /nfs/dbraw/zinc/32/70/23/1185327023.db2.gz OMUPCWJHBSJJCC-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN N#Cc1cccc(CNC/C=C\CNC(=O)CC2=CCCCC2)c1 ZINC001497541278 1185350332 /nfs/dbraw/zinc/35/03/32/1185350332.db2.gz PCFSLHIKNOJTSK-PLNGDYQASA-N 0 3 323.440 3.211 20 30 DGEDHN C[C@]1(C(=O)NC/C=C/CNCc2ccc(C#N)cc2)CC=CCC1 ZINC001497591185 1185359712 /nfs/dbraw/zinc/35/97/12/1185359712.db2.gz TXHUKJIMSKXBAM-XJDXJNMNSA-N 0 3 323.440 3.067 20 30 DGEDHN CC[C@@H](CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001498166558 1185443112 /nfs/dbraw/zinc/44/31/12/1185443112.db2.gz HIFQGOYODHHTCX-KBPBESRZSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001498317940 1185469375 /nfs/dbraw/zinc/46/93/75/1185469375.db2.gz VYJAYOPVLYZLKA-KBAYOESNSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498376084 1185482362 /nfs/dbraw/zinc/48/23/62/1185482362.db2.gz OLONQLIMBADCJE-DNVCBOLYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001498393041 1185486356 /nfs/dbraw/zinc/48/63/56/1185486356.db2.gz OTRKTNJTAAROQE-CYBMUJFWSA-N 0 3 308.853 3.240 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(F)ccc1Cl ZINC001498616391 1185524508 /nfs/dbraw/zinc/52/45/08/1185524508.db2.gz NWHIWTKHLLEYNU-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1cnc(C)s1)C1CC1 ZINC001498817130 1185551371 /nfs/dbraw/zinc/55/13/71/1185551371.db2.gz KFAQCFOUVNQCFW-RDJZCZTQSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001498984525 1185585664 /nfs/dbraw/zinc/58/56/64/1185585664.db2.gz QVYZIXQQCNLTOT-QGZVFWFLSA-N 0 3 304.478 3.382 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001499014865 1185591525 /nfs/dbraw/zinc/59/15/25/1185591525.db2.gz KVXLKCOTZKIKJX-WBVHZDCISA-N 0 3 316.445 3.162 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCCCCC=C)cc1 ZINC001499033165 1185594289 /nfs/dbraw/zinc/59/42/89/1185594289.db2.gz QHSVGUSHKISSRF-LJQANCHMSA-N 0 3 310.441 3.218 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001499036299 1185596483 /nfs/dbraw/zinc/59/64/83/1185596483.db2.gz BVZXCQPQNHMQSY-FUHWJXTLSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001499061913 1185602409 /nfs/dbraw/zinc/60/24/09/1185602409.db2.gz IFPDCOKJAGJJOH-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001499111732 1185613681 /nfs/dbraw/zinc/61/36/81/1185613681.db2.gz GXOSMYXKJQQTBK-FUHWJXTLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001499132413 1185617136 /nfs/dbraw/zinc/61/71/36/1185617136.db2.gz QKKNJGQIGHOPKV-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001499480493 1185655201 /nfs/dbraw/zinc/65/52/01/1185655201.db2.gz HHEWTCLIFFTRJF-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001499566175 1185669998 /nfs/dbraw/zinc/66/99/98/1185669998.db2.gz AFUKPGUWWDMYQP-HNNXBMFYSA-N 0 3 318.383 3.220 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001499616543 1185679210 /nfs/dbraw/zinc/67/92/10/1185679210.db2.gz QDYBDTAHMFHBFW-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001499997543 1185729164 /nfs/dbraw/zinc/72/91/64/1185729164.db2.gz JUTWZEPGLCGNMJ-WQLSENKSSA-N 0 3 324.468 3.474 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)CCC)C1CCN(CC=C(C)C)CC1 ZINC001500033251 1185732885 /nfs/dbraw/zinc/73/28/85/1185732885.db2.gz VPOZGMFBJXSMFB-KRWDZBQOSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC(C)(C)C1)C1CCN(CC(=C)C)CC1 ZINC001500047782 1185734361 /nfs/dbraw/zinc/73/43/61/1185734361.db2.gz XRNANHWQLQIOQJ-KRWDZBQOSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CCCC[C@H]1C)C1CCN(CC=C)CC1 ZINC001500059390 1185736465 /nfs/dbraw/zinc/73/64/65/1185736465.db2.gz CBVXJRZYRRJXSZ-QZTJIDSGSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)C2CCCCCCC2)C1 ZINC001500241159 1185763062 /nfs/dbraw/zinc/76/30/62/1185763062.db2.gz KXUBZLRCQHLWTA-LJQANCHMSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001500265416 1185767055 /nfs/dbraw/zinc/76/70/55/1185767055.db2.gz RCNIYQPPWBIMBX-QFBILLFUSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCc2ccc(F)cc2)C1 ZINC001500262010 1185767240 /nfs/dbraw/zinc/76/72/40/1185767240.db2.gz ZSHQMPDUSAWZCF-LJQANCHMSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccccc2C)C1 ZINC001500529674 1185816339 /nfs/dbraw/zinc/81/63/39/1185816339.db2.gz KAEZSAJBYCWXHT-HXUWFJFHSA-N 0 3 314.473 3.332 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(F)c2Cl)C1 ZINC001500529625 1185816542 /nfs/dbraw/zinc/81/65/42/1185816542.db2.gz IWDLDPJYNAASMK-KRWDZBQOSA-N 0 3 324.827 3.497 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001500616899 1185828884 /nfs/dbraw/zinc/82/88/84/1185828884.db2.gz LZGNZVYNMRLDMQ-CYBMUJFWSA-N 0 3 302.409 3.071 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cccs1 ZINC001501191940 1185881514 /nfs/dbraw/zinc/88/15/14/1185881514.db2.gz MTTCOIAOQXMQPI-UHFFFAOYSA-N 0 3 312.438 3.003 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2ccco2)cc1 ZINC001501681417 1185921055 /nfs/dbraw/zinc/92/10/55/1185921055.db2.gz IMMDTGCTCHVWSC-HOTGVXAUSA-N 0 3 324.424 3.058 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2nc(C)oc2C)CC1 ZINC001501691022 1185922790 /nfs/dbraw/zinc/92/27/90/1185922790.db2.gz RMAUGOJLEUVKPL-WKILWMFISA-N 0 3 319.449 3.022 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(CCC)cc1 ZINC001502369739 1185975220 /nfs/dbraw/zinc/97/52/20/1185975220.db2.gz WLFIYCMRRCIEHR-UHFFFAOYSA-N 0 3 300.446 3.056 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC=C ZINC001502532290 1185992657 /nfs/dbraw/zinc/99/26/57/1185992657.db2.gz NPPFHSUVQDPNJP-IBGZPJMESA-N 0 3 312.457 3.462 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCc2cccs2)C[C@@H]1C ZINC001503013455 1186035705 /nfs/dbraw/zinc/03/57/05/1186035705.db2.gz GALKNARGFSEDDH-JKSUJKDBSA-N 0 3 318.486 3.063 20 30 DGEDHN C=CCC[C@@H](C)N1CCc2ccccc2[C@@H]1CNC(=O)C(F)F ZINC001503668460 1186051465 /nfs/dbraw/zinc/05/14/65/1186051465.db2.gz XQCQDGOYHMUFKJ-CJNGLKHVSA-N 0 3 322.399 3.322 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccoc2)CC1 ZINC001505395090 1186065084 /nfs/dbraw/zinc/06/50/84/1186065084.db2.gz ZDBUUXYTFVSYEI-UHFFFAOYSA-N 0 3 310.825 3.206 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CNCC=C(Cl)Cl ZINC001505403044 1186068148 /nfs/dbraw/zinc/06/81/48/1186068148.db2.gz UFCJRZVVBJXMND-LBPRGKRZSA-N 0 3 305.249 3.242 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001505539846 1186099429 /nfs/dbraw/zinc/09/94/29/1186099429.db2.gz YOFKFCYMQRCLGE-UHFFFAOYSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001505884733 1186156363 /nfs/dbraw/zinc/15/63/63/1186156363.db2.gz MOJDIXIIEIOZHM-CXAGYDPISA-N 0 3 304.409 3.216 20 30 DGEDHN C/C=C(/C)C(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001506511844 1186237230 /nfs/dbraw/zinc/23/72/30/1186237230.db2.gz WGGGCKDDIVLFEG-ZUWFHJRGSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001506660360 1186270885 /nfs/dbraw/zinc/27/08/85/1186270885.db2.gz RDWHDBNOVYGMMQ-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)CC(F)(F)F)C(C)(C)C1 ZINC001506750711 1186287507 /nfs/dbraw/zinc/28/75/07/1186287507.db2.gz HFKJCIMXWMNGMC-LBPRGKRZSA-N 0 3 320.399 3.368 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001506911309 1186310760 /nfs/dbraw/zinc/31/07/60/1186310760.db2.gz SUSMFGSESMHFFE-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cscc1C ZINC001506916283 1186311064 /nfs/dbraw/zinc/31/10/64/1186311064.db2.gz GQTXGZPKMHSHPI-LBPRGKRZSA-N 0 3 300.855 3.297 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccoc1C1CC1 ZINC001506936430 1186317675 /nfs/dbraw/zinc/31/76/75/1186317675.db2.gz KVZGTJOCNQHNLD-GFCCVEGCSA-N 0 3 310.825 3.398 20 30 DGEDHN CCCCC(=O)N(C)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001507001438 1186338237 /nfs/dbraw/zinc/33/82/37/1186338237.db2.gz UFJPXBIMWITMNS-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](CNCc1ccns1)C1CC1 ZINC001507026761 1186342991 /nfs/dbraw/zinc/34/29/91/1186342991.db2.gz ZIMODSUBLORQCI-HNNXBMFYSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1cc(F)cc(F)c1 ZINC001507080958 1186357467 /nfs/dbraw/zinc/35/74/67/1186357467.db2.gz MTMDRNODOLCELE-ZDUSSCGKSA-N 0 3 310.388 3.258 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001507127282 1186367592 /nfs/dbraw/zinc/36/75/92/1186367592.db2.gz FKGQYXLEEXKITH-CYBMUJFWSA-N 0 3 319.474 3.159 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2cc(C)ccc2F)C[C@H]1C ZINC001507312768 1186388299 /nfs/dbraw/zinc/38/82/99/1186388299.db2.gz FTGBDCGDQVGXRV-NVXWUHKLSA-N 0 3 316.420 3.017 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3ccccc3cc2F)C1 ZINC001507322295 1186389712 /nfs/dbraw/zinc/38/97/12/1186389712.db2.gz YMQPJUYKHZTAOP-WMLDXEAASA-N 0 3 324.399 3.195 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCCc3ccccc3)CCC[C@H]12 ZINC001507348897 1186398639 /nfs/dbraw/zinc/39/86/39/1186398639.db2.gz QEYNZBQXOXNORL-PZJWPPBQSA-N 0 3 324.468 3.146 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](CC)Cc3ccccc3)CCC[C@@H]12 ZINC001507350679 1186399975 /nfs/dbraw/zinc/39/99/75/1186399975.db2.gz PIBIKQOVQSGOTG-SFHLNBCPSA-N 0 3 324.468 3.002 20 30 DGEDHN C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCCN1Cc1ccccc1 ZINC001507376686 1186409421 /nfs/dbraw/zinc/40/94/21/1186409421.db2.gz LDXNODBWIHGZDD-FUHWJXTLSA-N 0 3 312.457 3.205 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCCN1Cc1ccccc1 ZINC001507376692 1186409693 /nfs/dbraw/zinc/40/96/93/1186409693.db2.gz LDXNODBWIHGZDD-WMZOPIPTSA-N 0 3 312.457 3.205 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C1CCC(F)(F)CC1)C(C)C ZINC001507839124 1186449147 /nfs/dbraw/zinc/44/91/47/1186449147.db2.gz BWXWBIBVLDTUPU-UHFFFAOYSA-N 0 3 314.420 3.004 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](F)c1ccccc1)C(C)C ZINC001507841667 1186449481 /nfs/dbraw/zinc/44/94/81/1186449481.db2.gz NWVRIKCFLZAADX-QGZVFWFLSA-N 0 3 306.425 3.442 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1ccc(C)s1)C(C)C ZINC001507862299 1186452068 /nfs/dbraw/zinc/45/20/68/1186452068.db2.gz PYDZCEGYNHQTBN-UHFFFAOYSA-N 0 3 308.491 3.344 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 ZINC001514594194 1186716931 /nfs/dbraw/zinc/71/69/31/1186716931.db2.gz IGIBASAJGASPOB-QGZVFWFLSA-N 0 3 320.864 3.479 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)c1 ZINC001514948474 1186738782 /nfs/dbraw/zinc/73/87/82/1186738782.db2.gz TYOMRWGXQZPHMK-RDJZCZTQSA-N 0 3 310.397 3.067 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H]1CC ZINC001516048182 1186776403 /nfs/dbraw/zinc/77/64/03/1186776403.db2.gz ZKAITYAZSZHMEY-JKSUJKDBSA-N 0 3 317.481 3.042 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1CCc2ccccc2CC1 ZINC001517047045 1186800800 /nfs/dbraw/zinc/80/08/00/1186800800.db2.gz RXOXBBXLASGAMN-KRWDZBQOSA-N 0 3 307.397 3.274 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001517122980 1186803055 /nfs/dbraw/zinc/80/30/55/1186803055.db2.gz KRJFPYIEWGCCJG-WDEREUQCSA-N 0 3 317.776 3.352 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(c2ccnc(C#N)c2)CC1 ZINC001612039558 1193445939 /nfs/dbraw/zinc/44/59/39/1193445939.db2.gz DNGNEYHSNXEWST-IBGZPJMESA-N 0 3 306.413 3.227 20 30 DGEDHN CC(=O)c1cc(C(=O)C(C#N)c2ncc(Cl)n2C)ccc1C ZINC001520036047 1186911849 /nfs/dbraw/zinc/91/18/49/1186911849.db2.gz IVRATUMOANYFPP-ZDUSSCGKSA-N 0 3 315.760 3.075 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001520037563 1186912749 /nfs/dbraw/zinc/91/27/49/1186912749.db2.gz YFKVHUDLAOFMCD-CNOYCBBQSA-N 0 3 317.820 3.322 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001521346748 1187017171 /nfs/dbraw/zinc/01/71/71/1187017171.db2.gz RJQLGRJCIPUFJA-ZDUSSCGKSA-N 0 3 300.324 3.414 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC001521374309 1187019068 /nfs/dbraw/zinc/01/90/68/1187019068.db2.gz YRYYLZVTSWJXLL-ZDUSSCGKSA-N 0 3 300.324 3.414 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1csc2ccccc21 ZINC001521812860 1187050018 /nfs/dbraw/zinc/05/00/18/1187050018.db2.gz PHJVGKVSZOAKRO-SWLSCSKDSA-N 0 3 315.442 3.490 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC001522181291 1187068580 /nfs/dbraw/zinc/06/85/80/1187068580.db2.gz GTEDMEGHJSBPIS-ULQDDVLXSA-N 0 3 310.482 3.160 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc(N)c3ccccc3n2)cc1C ZINC001524677661 1187259435 /nfs/dbraw/zinc/25/94/35/1187259435.db2.gz LRBNRUXUIJRMBE-OAHLLOKOSA-N 0 3 316.364 3.319 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001526586918 1187376200 /nfs/dbraw/zinc/37/62/00/1187376200.db2.gz GWHZDPASFZNUHT-KGLIPLIRSA-N 0 3 313.788 3.055 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001526587230 1187376632 /nfs/dbraw/zinc/37/66/32/1187376632.db2.gz MHTJUYWGPBUEKJ-FRRDWIJNSA-N 0 3 317.751 3.193 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC001527142609 1187412452 /nfs/dbraw/zinc/41/24/52/1187412452.db2.gz DFCSWKJQVOOKFG-DOTOQJQBSA-N 0 3 300.446 3.498 20 30 DGEDHN C=CC(C)(C)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001530770372 1187646366 /nfs/dbraw/zinc/64/63/66/1187646366.db2.gz BZKVHVQOOWGZTP-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(Cl)cc2C#N)C1 ZINC001532393224 1187751868 /nfs/dbraw/zinc/75/18/68/1187751868.db2.gz ZFVDEGZSSVTVMR-INIZCTEOSA-N 0 3 323.799 3.363 20 30 DGEDHN CCN(C[C@H](C)C#N)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001615332825 1193520565 /nfs/dbraw/zinc/52/05/65/1193520565.db2.gz UJMZYWJHHGJZGG-QLFBSQMISA-N 0 3 309.454 3.161 20 30 DGEDHN CCC#C[C@H](C)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC001615740756 1193527398 /nfs/dbraw/zinc/52/73/98/1193527398.db2.gz RTXDTABHYPSENP-KRWDZBQOSA-N 0 3 312.457 3.125 20 30 DGEDHN C#CCN(C(=O)/C=C(/CC)c1ccc(C)cc1)C1CCN(C)CC1 ZINC001536121472 1187989133 /nfs/dbraw/zinc/98/91/33/1187989133.db2.gz AIMOKNDSGHCUHP-VLGSPTGOSA-N 0 3 324.468 3.344 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001537278795 1188063727 /nfs/dbraw/zinc/06/37/27/1188063727.db2.gz RKCNVNLIWXOJNQ-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C#Cc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(Cl)c1 ZINC001539131357 1188178471 /nfs/dbraw/zinc/17/84/71/1188178471.db2.gz PFJPXOORJGCAIV-QGZVFWFLSA-N 0 3 322.811 3.472 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CN(C)CC(C)(C)C ZINC001544404362 1188391914 /nfs/dbraw/zinc/39/19/14/1188391914.db2.gz VHQUXHANSGJNCT-UHFFFAOYSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1c(Cl)cncc1Cl ZINC001617603730 1193575066 /nfs/dbraw/zinc/57/50/66/1193575066.db2.gz DLKNOYBJNWECGU-UHFFFAOYSA-N 0 3 302.249 3.328 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)c(C)c1Cl ZINC001562988460 1188804757 /nfs/dbraw/zinc/80/47/57/1188804757.db2.gz RALWIJAMWVDSNH-UHFFFAOYSA-N 0 3 307.825 3.033 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001565824287 1188979727 /nfs/dbraw/zinc/97/97/27/1188979727.db2.gz GXOAFAVDVPGWLC-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001559796629 1189242458 /nfs/dbraw/zinc/24/24/58/1189242458.db2.gz QQHGZHVZUOSOMG-UHFFFAOYSA-N 0 3 311.813 3.188 20 30 DGEDHN C#CC[C@H]1CCCN([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC001559939060 1189258730 /nfs/dbraw/zinc/25/87/30/1189258730.db2.gz FXQDECFBFDWRAI-YJBOKZPZSA-N 0 3 314.404 3.056 20 30 DGEDHN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(CCCC#N)[C@H]1C ZINC001559947776 1189261783 /nfs/dbraw/zinc/26/17/83/1189261783.db2.gz BSSOJUUQAYXGKZ-QLFBSQMISA-N 0 3 309.454 3.304 20 30 DGEDHN C#CCOCCN1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001560164555 1189286292 /nfs/dbraw/zinc/28/62/92/1189286292.db2.gz BFNJAYUSZBYURW-CYBMUJFWSA-N 0 3 311.347 3.322 20 30 DGEDHN CCc1ccc2c(c1)CCN(C[C@H](O)c1cccc(C#N)c1)C2 ZINC001560237798 1189296826 /nfs/dbraw/zinc/29/68/26/1189296826.db2.gz FHCCTTXXYUPLRM-FQEVSTJZSA-N 0 3 306.409 3.212 20 30 DGEDHN N#Cc1ccc(CCNCc2cn3cc(Cl)ccc3n2)cc1 ZINC001560531602 1189336872 /nfs/dbraw/zinc/33/68/72/1189336872.db2.gz HGHRPZWQHHHGET-UHFFFAOYSA-N 0 3 310.788 3.192 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001560902586 1189403481 /nfs/dbraw/zinc/40/34/81/1189403481.db2.gz FMVCFKASLWBNCG-QAPCUYQASA-N 0 3 313.441 3.468 20 30 DGEDHN N#Cc1sccc1N1CCN(C[C@H]2CCc3ccccc32)CC1 ZINC001560930364 1189406667 /nfs/dbraw/zinc/40/66/67/1189406667.db2.gz ZMUALJFJQSRQMK-MRXNPFEDSA-N 0 3 323.465 3.472 20 30 DGEDHN N#Cc1sccc1N1CCN(C[C@@H]2CCc3ccccc32)CC1 ZINC001560930363 1189406779 /nfs/dbraw/zinc/40/67/79/1189406779.db2.gz ZMUALJFJQSRQMK-INIZCTEOSA-N 0 3 323.465 3.472 20 30 DGEDHN Cc1cccnc1[C@H]1CCC[C@@H](NCC2(C#N)CCOCC2)C1 ZINC001561045283 1189425433 /nfs/dbraw/zinc/42/54/33/1189425433.db2.gz WWDKYIQZYFUWFH-DLBZAZTESA-N 0 3 313.445 3.326 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001565062313 1189617911 /nfs/dbraw/zinc/61/79/11/1189617911.db2.gz PBEGMERWVLPTJV-OWCLPIDISA-N 0 3 307.482 3.293 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001565504064 1189653593 /nfs/dbraw/zinc/65/35/93/1189653593.db2.gz LCVAGSQNHKHSDJ-QRQLOZEOSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC001565821639 1189675588 /nfs/dbraw/zinc/67/55/88/1189675588.db2.gz NOLNWSUEZCYLAC-ZIAGYGMSSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001565824643 1189678540 /nfs/dbraw/zinc/67/85/40/1189678540.db2.gz KZRWEALCHGFDDR-QGZVFWFLSA-N 0 3 317.477 3.490 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CCC(F)(F)CC1 ZINC001565828084 1189680674 /nfs/dbraw/zinc/68/06/74/1189680674.db2.gz JNFGFYIHJRILHK-OAHLLOKOSA-N 0 3 314.420 3.311 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1(C)CCOCC1 ZINC001565829465 1189680752 /nfs/dbraw/zinc/68/07/52/1189680752.db2.gz HFIARWXUEHWOFJ-KRWDZBQOSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC001565829470 1189681421 /nfs/dbraw/zinc/68/14/21/1189681421.db2.gz HKCPOZJNRIOWGM-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](F)c1ccccc1 ZINC001565828451 1189681449 /nfs/dbraw/zinc/68/14/49/1189681449.db2.gz ONTYZPQECKCZHM-DLBZAZTESA-N 0 3 304.409 3.196 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CCCCC1 ZINC001565836122 1189685342 /nfs/dbraw/zinc/68/53/42/1189685342.db2.gz CLGSSNLXZMNTTF-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001565835149 1189685821 /nfs/dbraw/zinc/68/58/21/1189685821.db2.gz IAZFMXDVYAZWSD-ROUUACIJSA-N 0 3 318.436 3.066 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001565860447 1189693840 /nfs/dbraw/zinc/69/38/40/1189693840.db2.gz JOXHFEMMXYJNKP-HAQNSBGRSA-N 0 3 312.866 3.352 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001565870504 1189696366 /nfs/dbraw/zinc/69/63/66/1189696366.db2.gz WTUMBSLJNJQWPR-NNUKFRKNSA-N 0 3 322.399 3.161 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCC)C(C)(C)[C@@H]21 ZINC001565993088 1189710449 /nfs/dbraw/zinc/71/04/49/1189710449.db2.gz OOWDUGOFSGDOLH-KBAYOESNSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(CCc3ccccc3)CC2)[C@H]1C ZINC001566117382 1189737574 /nfs/dbraw/zinc/73/75/74/1189737574.db2.gz LRUHJMIERNYEBZ-MJGOQNOKSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cccc(C)c1 ZINC001566124032 1189741074 /nfs/dbraw/zinc/74/10/74/1189741074.db2.gz DOMPZXHKRSZUKV-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccsc1 ZINC001566122313 1189741125 /nfs/dbraw/zinc/74/11/25/1189741125.db2.gz STGPQZOKEVETJK-INIZCTEOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001566337673 1189764085 /nfs/dbraw/zinc/76/40/85/1189764085.db2.gz ANQDBXHOQHICFF-JFIYKMOQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(C)Cc2ccc(F)c(F)c2)C1 ZINC001566490485 1189783194 /nfs/dbraw/zinc/78/31/94/1189783194.db2.gz SZEPUEXOQQPTIN-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001566525542 1189790805 /nfs/dbraw/zinc/79/08/05/1189790805.db2.gz XCBMJHCTDUNKKU-GDBMZVCRSA-N 0 3 306.837 3.412 20 30 DGEDHN CCCC(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001566525292 1189790877 /nfs/dbraw/zinc/79/08/77/1189790877.db2.gz ULQHNAZWWOUBKL-HKUYNNGSSA-N 0 3 312.457 3.197 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001566604122 1189818165 /nfs/dbraw/zinc/81/81/65/1189818165.db2.gz OUOACLJVEUQRQN-FVQHAEBGSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(F)F ZINC001566752477 1189890815 /nfs/dbraw/zinc/89/08/15/1189890815.db2.gz CDGJJBHCIAOXDZ-KFWWJZLASA-N 0 3 314.420 3.309 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001566755735 1189892650 /nfs/dbraw/zinc/89/26/50/1189892650.db2.gz QMTIOKTZUYMZDC-OIISXLGYSA-N 0 3 302.462 3.207 20 30 DGEDHN CCC(=CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1)CC ZINC001566763243 1189895039 /nfs/dbraw/zinc/89/50/39/1189895039.db2.gz SJBXOXHIJGNHDS-AWEZNQCLSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001566802845 1189906213 /nfs/dbraw/zinc/90/62/13/1189906213.db2.gz GMYOGGLVTLFBLZ-JTNHKYCSSA-N 0 3 305.249 3.145 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001566836409 1189917995 /nfs/dbraw/zinc/91/79/95/1189917995.db2.gz FUTWBFPCXLEBTL-SOUVJXGZSA-N 0 3 318.848 3.441 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001566863420 1189927619 /nfs/dbraw/zinc/92/76/19/1189927619.db2.gz VWSILNNLEBLENY-BETUJISGSA-N 0 3 300.874 3.438 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC001566923414 1189952378 /nfs/dbraw/zinc/95/23/78/1189952378.db2.gz RTZVBJBMUXXGEK-QWNKOJSDSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C[C@H]1CCCCO1 ZINC001566927601 1189956936 /nfs/dbraw/zinc/95/69/36/1189956936.db2.gz SCRCTXDHHNDROS-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566963513 1189972451 /nfs/dbraw/zinc/97/24/51/1189972451.db2.gz VLRFGNUNZGMGMJ-SJORKVTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001567046424 1190007630 /nfs/dbraw/zinc/00/76/30/1190007630.db2.gz VTADQFWMOWPVER-OLZOCXBDSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001567046423 1190007852 /nfs/dbraw/zinc/00/78/52/1190007852.db2.gz VTADQFWMOWPVER-CHWSQXEVSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCCCC(=O)NCC[C@@H](C)NCc1ccc(F)cc1Cl ZINC001567214176 1190074581 /nfs/dbraw/zinc/07/45/81/1190074581.db2.gz MOWAGWVKLQQCQO-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001567383188 1190164792 /nfs/dbraw/zinc/16/47/92/1190164792.db2.gz PIHYBEBPXQCICV-RDJZCZTQSA-N 0 3 324.424 3.140 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001567410100 1190177264 /nfs/dbraw/zinc/17/72/64/1190177264.db2.gz VHHUDRJNARIQKU-ZWKOTPCHSA-N 0 3 304.478 3.220 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001567413477 1190178800 /nfs/dbraw/zinc/17/88/00/1190178800.db2.gz DSIVVWZYUBTMGA-ZWKOTPCHSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001567420999 1190181110 /nfs/dbraw/zinc/18/11/10/1190181110.db2.gz IDMSRASLZCWYHE-QUCCMNQESA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN(C[C@@H](F)CC)C2)CCCCC1 ZINC001567421311 1190181380 /nfs/dbraw/zinc/18/13/80/1190181380.db2.gz QTGAPWIAMKPNBA-SJORKVTESA-N 0 3 322.468 3.146 20 30 DGEDHN Cc1cccc(CN(CCNC(=O)C#CC(C)(C)C)C2CC2)c1 ZINC001567440475 1190194699 /nfs/dbraw/zinc/19/46/99/1190194699.db2.gz GKQWTFIONUARLB-UHFFFAOYSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cccc(OC)c1)c1ccccc1 ZINC001567666089 1190243088 /nfs/dbraw/zinc/24/30/88/1190243088.db2.gz RRIJJJRIAQDWMV-LJQANCHMSA-N 0 3 324.424 3.332 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C)cc1C ZINC001567667803 1190243150 /nfs/dbraw/zinc/24/31/50/1190243150.db2.gz DTSBLKRMDOSWEI-KDURUIRLSA-N 0 3 312.457 3.445 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001567688923 1190254947 /nfs/dbraw/zinc/25/49/47/1190254947.db2.gz OGYTZJAIBVQHMA-IBGZPJMESA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)CCC)C1 ZINC001567745710 1190283600 /nfs/dbraw/zinc/28/36/00/1190283600.db2.gz XEEFCUHWPRSYFS-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001567778068 1190296638 /nfs/dbraw/zinc/29/66/38/1190296638.db2.gz NZEFNTHSTVKRMU-HKUYNNGSSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001567863205 1190324232 /nfs/dbraw/zinc/32/42/32/1190324232.db2.gz WWROICPEYHDVTF-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001567876692 1190330355 /nfs/dbraw/zinc/33/03/55/1190330355.db2.gz BCPXPTTVKAGQEP-HNNXBMFYSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001567941629 1190366713 /nfs/dbraw/zinc/36/67/13/1190366713.db2.gz FBZZASRALXIGSJ-JKSUJKDBSA-N 0 3 304.434 3.190 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)C1CC1)NCc1ccc(C#N)s1 ZINC001567973489 1190382884 /nfs/dbraw/zinc/38/28/84/1190382884.db2.gz HPVLYXGLXQIOCL-CYBMUJFWSA-N 0 3 319.474 3.040 20 30 DGEDHN CC[C@H](CNC(=O)C1(CC)CCC1)NCC#Cc1ccccc1 ZINC001567973315 1190382765 /nfs/dbraw/zinc/38/27/65/1190382765.db2.gz DKJMNIMDPVQFQN-GOSISDBHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001568027595 1190401887 /nfs/dbraw/zinc/40/18/87/1190401887.db2.gz DTXONVWNPKRCCP-LDZOIKDWSA-N 0 3 316.848 3.142 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC1CCN(Cc2ccccn2)CC1 ZINC001568128733 1190430494 /nfs/dbraw/zinc/43/04/94/1190430494.db2.gz HBPJQLCNXKDEFO-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C1CC(C)(C(=O)NCCC2CCN(C[C@H](F)CC)CC2)C1 ZINC001568130824 1190431233 /nfs/dbraw/zinc/43/12/33/1190431233.db2.gz ZSXWRAMFRCHSPF-MRXNPFEDSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001568136708 1190432933 /nfs/dbraw/zinc/43/29/33/1190432933.db2.gz ICAANBUDRPPBPS-CYBMUJFWSA-N 0 3 324.877 3.286 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C(C2CC2)C2CC2)CCCC1 ZINC001568243569 1190461076 /nfs/dbraw/zinc/46/10/76/1190461076.db2.gz JOEWVGJNWMTVMX-UHFFFAOYSA-N 0 3 310.869 3.194 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C1=CCCCCC1 ZINC001568267721 1190467924 /nfs/dbraw/zinc/46/79/24/1190467924.db2.gz JJJVWIDVXKXEPR-GOSISDBHSA-N 0 3 324.468 3.365 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001568274827 1190470747 /nfs/dbraw/zinc/47/07/47/1190470747.db2.gz PWTMTLLAKAJRAN-ZDUSSCGKSA-N 0 3 321.490 3.238 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001568325351 1190490665 /nfs/dbraw/zinc/49/06/65/1190490665.db2.gz HMEVCXCIEYQSTD-IBGZPJMESA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1csc(Cl)c1)C(C)C ZINC001568463826 1190529657 /nfs/dbraw/zinc/52/96/57/1190529657.db2.gz JQZFKGKFGKQRKN-LLVKDONJSA-N 0 3 321.273 3.498 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC001568528495 1190559602 /nfs/dbraw/zinc/55/96/02/1190559602.db2.gz NDZKFHKXXILUJG-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(C(F)(F)F)CCCC1 ZINC001568554718 1190564674 /nfs/dbraw/zinc/56/46/74/1190564674.db2.gz VXZNWIHSRWOGRT-UHFFFAOYSA-N 0 3 306.372 3.075 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)n(CC2CC2)c1C ZINC001568551469 1190564821 /nfs/dbraw/zinc/56/48/21/1190564821.db2.gz FTRDGXHXNOZNLR-UHFFFAOYSA-N 0 3 317.477 3.095 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001568642779 1190573127 /nfs/dbraw/zinc/57/31/27/1190573127.db2.gz TXHCHXNKTULUKV-OAHLLOKOSA-N 0 3 320.864 3.246 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2ncc(C)s2)CCC1 ZINC001568674716 1190576674 /nfs/dbraw/zinc/57/66/74/1190576674.db2.gz TXNQFLSXXHKKPP-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1cc2cc(C)ccc2s1 ZINC001568944101 1190601327 /nfs/dbraw/zinc/60/13/27/1190601327.db2.gz YCAAHZBSQLPTMZ-WAYWQWQTSA-N 0 3 312.438 3.109 20 30 DGEDHN CCC[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001569049525 1190613311 /nfs/dbraw/zinc/61/33/11/1190613311.db2.gz HHHATNPBJLDSPP-CABCVRRESA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001569059670 1190614959 /nfs/dbraw/zinc/61/49/59/1190614959.db2.gz CETWHENCJKYCKA-STQMWFEESA-N 0 3 310.388 3.476 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001569074981 1190616685 /nfs/dbraw/zinc/61/66/85/1190616685.db2.gz CVYWLDCBMBJHRI-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN Cc1ccccc1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001569104299 1190622821 /nfs/dbraw/zinc/62/28/21/1190622821.db2.gz UZKQKCRZCWLUSI-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(OC)c1 ZINC001569119534 1190630110 /nfs/dbraw/zinc/63/01/10/1190630110.db2.gz QXMCUIMEBTXQFW-INIZCTEOSA-N 0 3 318.461 3.296 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2ccc(F)cc2F)C1 ZINC001569238660 1190656346 /nfs/dbraw/zinc/65/63/46/1190656346.db2.gz QCLSMGRJGNAJKP-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001569366657 1190678726 /nfs/dbraw/zinc/67/87/26/1190678726.db2.gz SIRBDTBJFLIGCE-QGZVFWFLSA-N 0 3 315.461 3.249 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001569376803 1190683515 /nfs/dbraw/zinc/68/35/15/1190683515.db2.gz OHHUIDBNIAVXLS-GGPKGHCWSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001569415395 1190694222 /nfs/dbraw/zinc/69/42/22/1190694222.db2.gz FCXJPIVAJVUVTA-AWEZNQCLSA-N 0 3 304.409 3.481 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCCCC)C1 ZINC001569438009 1190698434 /nfs/dbraw/zinc/69/84/34/1190698434.db2.gz HJTNJWUZDQHUFS-ZWKOTPCHSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCC[C@H](C)CC)C2)C1 ZINC001569474958 1190704865 /nfs/dbraw/zinc/70/48/65/1190704865.db2.gz PTBBRLCEIXHRTK-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@@H]1C ZINC001569517144 1190712215 /nfs/dbraw/zinc/71/22/15/1190712215.db2.gz PGTHZZDOWIEYRY-UJWMVZFISA-N 0 3 317.260 3.078 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2oc(C)nc2C)C[C@H]1C ZINC001569517039 1190712182 /nfs/dbraw/zinc/71/21/82/1190712182.db2.gz NTYKTJPITAPJFW-CZUORRHYSA-N 0 3 319.449 3.117 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](CC)OC2CCCCC2)CC1 ZINC001569572577 1190718904 /nfs/dbraw/zinc/71/89/04/1190718904.db2.gz OCHWWKYHKBOLOI-KRWDZBQOSA-N 0 3 322.493 3.271 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001569578148 1190719736 /nfs/dbraw/zinc/71/97/36/1190719736.db2.gz FBRPOEYGPZVJPE-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(C(C)=O)C1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001569581053 1190720122 /nfs/dbraw/zinc/72/01/22/1190720122.db2.gz IJDSQHHGZQTDDQ-IBGZPJMESA-N 0 3 316.420 3.223 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@@H]1CC12CC2)c1ccc2ccccc2c1 ZINC001569597508 1190720746 /nfs/dbraw/zinc/72/07/46/1190720746.db2.gz GQAMAYLPNHTLHN-RBUKOAKNSA-N 0 3 318.420 3.020 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001569599215 1190721116 /nfs/dbraw/zinc/72/11/16/1190721116.db2.gz VFJUAMQPSNINKB-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@](C)(F)CCCC)C2 ZINC001569623081 1190725067 /nfs/dbraw/zinc/72/50/67/1190725067.db2.gz VZZFVWJLZUFVPL-OALUTQOASA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001569628260 1190726118 /nfs/dbraw/zinc/72/61/18/1190726118.db2.gz LKIVXNIEFFYDKR-IBGZPJMESA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001569628260 1190726119 /nfs/dbraw/zinc/72/61/19/1190726119.db2.gz LKIVXNIEFFYDKR-IBGZPJMESA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC001569650111 1190733042 /nfs/dbraw/zinc/73/30/42/1190733042.db2.gz VQAFIYBDJJLVQA-AZUAARDMSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@](C)(NC(=O)c2cnc(C3CC3)s2)C1 ZINC001569650563 1190734391 /nfs/dbraw/zinc/73/43/91/1190734391.db2.gz DETVTUKPJFRGPE-KRWDZBQOSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CCCC(=O)NC[C@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001569712110 1190746129 /nfs/dbraw/zinc/74/61/29/1190746129.db2.gz PHBLYPKGSHBUMF-AWEZNQCLSA-N 0 3 306.372 3.123 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001569715022 1190747155 /nfs/dbraw/zinc/74/71/55/1190747155.db2.gz BMPPADZRCOORBY-LJQANCHMSA-N 0 3 316.445 3.060 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001569719699 1190748005 /nfs/dbraw/zinc/74/80/05/1190748005.db2.gz IVKDCASCEAFNAB-SFHVURJKSA-N 0 3 304.478 3.361 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)cc(C)nc2C)C1 ZINC001569718904 1190748574 /nfs/dbraw/zinc/74/85/74/1190748574.db2.gz BMXUVCVUJAFYCU-IBGZPJMESA-N 0 3 315.461 3.025 20 30 DGEDHN C=CC1(CC(=O)N2CCN(C3CC3)C[C@H](C)C2)CCCCC1 ZINC001569790611 1190754414 /nfs/dbraw/zinc/75/44/14/1190754414.db2.gz NWWHUGCWHPZLMZ-INIZCTEOSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CC1(CC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CCCCC1 ZINC001569790612 1190754509 /nfs/dbraw/zinc/75/45/09/1190754509.db2.gz NWWHUGCWHPZLMZ-MRXNPFEDSA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC(C)(C)CC)C2)CC1 ZINC001569799719 1190755730 /nfs/dbraw/zinc/75/57/30/1190755730.db2.gz HWCVZZKWGXULOW-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1occc1C(C)C ZINC001569870134 1190767447 /nfs/dbraw/zinc/76/74/47/1190767447.db2.gz LQXSIDDUNSORHO-UHFFFAOYSA-N 0 3 324.424 3.268 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccc(CC)cc1 ZINC001569870537 1190768072 /nfs/dbraw/zinc/76/80/72/1190768072.db2.gz AIKNBGGXWMSOIM-UHFFFAOYSA-N 0 3 320.436 3.114 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001570026939 1190783391 /nfs/dbraw/zinc/78/33/91/1190783391.db2.gz OQHKODVZXIXSTO-KFKAGJAMSA-N 0 3 312.457 3.357 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1CC(C)(C)C1 ZINC001570026678 1190783811 /nfs/dbraw/zinc/78/38/11/1190783811.db2.gz GQZJBEHOYGLHEO-UHFFFAOYSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1 ZINC001570031089 1190785037 /nfs/dbraw/zinc/78/50/37/1190785037.db2.gz HYTRZJAZJVUSRN-IRXDYDNUSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1 ZINC001570031087 1190785114 /nfs/dbraw/zinc/78/51/14/1190785114.db2.gz HYTRZJAZJVUSRN-DLBZAZTESA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(C2CC2)C2CC2)cc1 ZINC001570032767 1190785276 /nfs/dbraw/zinc/78/52/76/1190785276.db2.gz CINVMYQDEXHTDQ-HNNXBMFYSA-N 0 3 324.468 3.413 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2ccc(CC)cc2)CCC1 ZINC001570121127 1190800281 /nfs/dbraw/zinc/80/02/81/1190800281.db2.gz PRCOINHTLXLLPD-INIZCTEOSA-N 0 3 312.457 3.004 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001570185774 1190811112 /nfs/dbraw/zinc/81/11/12/1190811112.db2.gz RGHLGGPRCAORJM-QZTJIDSGSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@H](C)SC)cc2C1 ZINC001570311209 1190837590 /nfs/dbraw/zinc/83/75/90/1190837590.db2.gz QSVALOONJKMDGB-AWEZNQCLSA-N 0 3 318.486 3.336 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@](C)(CC)CCC)C(C)(C)C1 ZINC001570397073 1190852713 /nfs/dbraw/zinc/85/27/13/1190852713.db2.gz BEUXCOZQHJKTAM-LPHOPBHVSA-N 0 3 306.494 3.443 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001570429729 1190855194 /nfs/dbraw/zinc/85/51/94/1190855194.db2.gz WUCIGHUVADJOQV-CRAIPNDOSA-N 0 3 313.445 3.218 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)C[C@@H]1C ZINC001570436628 1190858263 /nfs/dbraw/zinc/85/82/63/1190858263.db2.gz CGEOLCAHERKZJE-IRXDYDNUSA-N 0 3 304.478 3.195 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCc2ccsc2)C[C@@H]1C ZINC001570436654 1190858696 /nfs/dbraw/zinc/85/86/96/1190858696.db2.gz CLOKYIRAIVTKLK-DOTOQJQBSA-N 0 3 318.486 3.063 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001570437668 1190858749 /nfs/dbraw/zinc/85/87/49/1190858749.db2.gz QDGAQEUUZUBSPD-UKRRQHHQSA-N 0 3 321.490 3.277 20 30 DGEDHN CC/C=C(\C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001570455390 1190862491 /nfs/dbraw/zinc/86/24/91/1190862491.db2.gz XOKIKFKWZKYFJJ-GUVYXZIWSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ncc(C)s1 ZINC001570464319 1190864560 /nfs/dbraw/zinc/86/45/60/1190864560.db2.gz VIYZLULBUBISRY-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CCC2CC2)CC1 ZINC001570500593 1190870002 /nfs/dbraw/zinc/87/00/02/1190870002.db2.gz WLNJECNQMLEGQN-UHFFFAOYSA-N 0 3 312.885 3.490 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001570542713 1190882567 /nfs/dbraw/zinc/88/25/67/1190882567.db2.gz WGBXRVLXDHMXFA-QFBILLFUSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001570545493 1190884286 /nfs/dbraw/zinc/88/42/86/1190884286.db2.gz UIHFROLBRLKIHY-DZGCQCFKSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001570545134 1190884490 /nfs/dbraw/zinc/88/44/90/1190884490.db2.gz MEEQIXCULZRRPF-NVXWUHKLSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(c2ccccc2C)CC1 ZINC001570549371 1190886191 /nfs/dbraw/zinc/88/61/91/1190886191.db2.gz XIALTZXDMRZVLQ-KRWDZBQOSA-N 0 3 312.457 3.135 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2coc(C(F)F)c2)C1 ZINC001570570734 1190889899 /nfs/dbraw/zinc/88/98/99/1190889899.db2.gz MFUVQFGLPMPQDM-UHFFFAOYSA-N 0 3 318.751 3.068 20 30 DGEDHN CCCCC(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001570670159 1190914444 /nfs/dbraw/zinc/91/44/44/1190914444.db2.gz YGZQHMLXGLLERT-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cncc(CC)c1 ZINC001570678342 1190915789 /nfs/dbraw/zinc/91/57/89/1190915789.db2.gz KRNZOXUDJBQISF-UHFFFAOYSA-N 0 3 323.868 3.084 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1cc2ccccc2o1 ZINC001570709425 1190925950 /nfs/dbraw/zinc/92/59/50/1190925950.db2.gz QPUMMZPCBBLJRQ-OAHLLOKOSA-N 0 3 312.413 3.173 20 30 DGEDHN CCCC[C@@H](CNCc1ccccc1Cl)NC(=O)[C@H](C)C#N ZINC001570807682 1190953074 /nfs/dbraw/zinc/95/30/74/1190953074.db2.gz QUUXPKFDUCFJJV-HIFRSBDPSA-N 0 3 321.852 3.264 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001571380185 1191008392 /nfs/dbraw/zinc/00/83/92/1191008392.db2.gz JZFWKQIXZXYARF-CHWSQXEVSA-N 0 3 310.388 3.429 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001571402864 1191015181 /nfs/dbraw/zinc/01/51/81/1191015181.db2.gz FTZACQVZWDILJB-LBPRGKRZSA-N 0 3 309.479 3.053 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C1CCCCC1 ZINC001571449392 1191022096 /nfs/dbraw/zinc/02/20/96/1191022096.db2.gz MRPSUSXYAIEOJH-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001571455213 1191023265 /nfs/dbraw/zinc/02/32/65/1191023265.db2.gz JKAHEZSNWDWWEQ-MAUKXSAKSA-N 0 3 324.424 3.171 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC001571490829 1191030371 /nfs/dbraw/zinc/03/03/71/1191030371.db2.gz JIKHLHZKSNUTPL-KXBFYZLASA-N 0 3 306.409 3.056 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2(CC)CCCC2)[C@H]1C ZINC001571525325 1191044064 /nfs/dbraw/zinc/04/40/64/1191044064.db2.gz QLWNAJANLVYFBF-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](CNCc2ncc(C)s2)C1 ZINC001571542303 1191047514 /nfs/dbraw/zinc/04/75/14/1191047514.db2.gz MRMQYMMJENZMQI-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)CCCCC1 ZINC001571568481 1191054078 /nfs/dbraw/zinc/05/40/78/1191054078.db2.gz KFNDZIGCZDAWQM-OAHLLOKOSA-N 0 3 310.457 3.309 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@@H]1CCC(F)(F)C1)C(C)C ZINC001571612588 1191059130 /nfs/dbraw/zinc/05/91/30/1191059130.db2.gz PODCHZSSKLOVAQ-HNNXBMFYSA-N 0 3 314.420 3.004 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2cccc(Cl)n2)C1 ZINC001571658120 1191077347 /nfs/dbraw/zinc/07/73/47/1191077347.db2.gz KAWDTJCPTMIZSV-UHFFFAOYSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2CCC=CCC2)c(F)c1 ZINC001571704058 1191086284 /nfs/dbraw/zinc/08/62/84/1191086284.db2.gz FRIVHUUCMGWNEN-UHFFFAOYSA-N 0 3 316.420 3.464 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccco1)Cc1cccs1 ZINC001574851637 1191454003 /nfs/dbraw/zinc/45/40/03/1191454003.db2.gz IJGSHWYLKOZYTD-CQSZACIVSA-N 0 3 324.833 3.340 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC001574856924 1191454656 /nfs/dbraw/zinc/45/46/56/1191454656.db2.gz IFVMPRGSRDPJPT-AWEZNQCLSA-N 0 3 317.776 3.282 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc2c1CNC2 ZINC001574890453 1191455531 /nfs/dbraw/zinc/45/55/31/1191455531.db2.gz VOIFFCWVZAUJSX-QGZVFWFLSA-N 0 3 306.409 3.207 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](N)c1ccccc1 ZINC001574890439 1191455812 /nfs/dbraw/zinc/45/58/12/1191455812.db2.gz VHHCBMOQXKJGKZ-RTBURBONSA-N 0 3 308.425 3.380 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC001574903992 1191457746 /nfs/dbraw/zinc/45/77/46/1191457746.db2.gz ZAJSYOWAJGCRJW-OAHLLOKOSA-N 0 3 306.837 3.171 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC001574902596 1191457992 /nfs/dbraw/zinc/45/79/92/1191457992.db2.gz CXTARPWECGFFTR-DTWKUNHWSA-N 0 3 321.368 3.023 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC001574971907 1191460839 /nfs/dbraw/zinc/46/08/39/1191460839.db2.gz JJZYBKOLXJXRPG-DOTOQJQBSA-N 0 3 312.413 3.295 20 30 DGEDHN CC(C)(C)Nc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC001575148928 1191468586 /nfs/dbraw/zinc/46/85/86/1191468586.db2.gz AIQARUPRLMLYCD-ZDUSSCGKSA-N 0 3 302.422 3.247 20 30 DGEDHN CC(C)Cn1ncc(NC(=O)[C@@H](N)CCCCC#N)c1C(C)C ZINC001575681373 1191501547 /nfs/dbraw/zinc/50/15/47/1191501547.db2.gz LUKDQNGTFDSFLW-AWEZNQCLSA-N 0 3 319.453 3.012 20 30 DGEDHN CC(C)(C)[C@H]1CSCCN1CCOc1cccc(C#N)c1 ZINC001620533819 1193776827 /nfs/dbraw/zinc/77/68/27/1193776827.db2.gz AQKWPPZSWYAFJA-MRXNPFEDSA-N 0 3 304.459 3.401 20 30 DGEDHN CC(C)(C)[C@@H]1CSCCN1CCOc1cccc(C#N)c1 ZINC001620533818 1193777340 /nfs/dbraw/zinc/77/73/40/1193777340.db2.gz AQKWPPZSWYAFJA-INIZCTEOSA-N 0 3 304.459 3.401 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC001624511042 1194000672 /nfs/dbraw/zinc/00/06/72/1194000672.db2.gz QONBSMOOHWZQFZ-AWEZNQCLSA-N 0 3 300.393 3.111 20 30 DGEDHN C=C(CC(C)C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC001625671057 1194063757 /nfs/dbraw/zinc/06/37/57/1194063757.db2.gz HSHNSOMVJWFZJC-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2ccccc2s1 ZINC001626744246 1194093255 /nfs/dbraw/zinc/09/32/55/1194093255.db2.gz ANNNBDFPSSFCSY-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)CSc1ccccc1 ZINC001626751116 1194094179 /nfs/dbraw/zinc/09/41/79/1194094179.db2.gz UCRWZNOJHXEXNS-INIZCTEOSA-N 0 3 320.502 3.381 20 30 DGEDHN C=C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC001631198928 1194324278 /nfs/dbraw/zinc/32/42/78/1194324278.db2.gz HOIVPHFXKGBPDM-LJQANCHMSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC001634641041 1194506219 /nfs/dbraw/zinc/50/62/19/1194506219.db2.gz SNRRUYOFCDUNLT-CABCVRRESA-N 0 3 306.475 3.126 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1nc2ccccc2cc1C ZINC001635757758 1194570324 /nfs/dbraw/zinc/57/03/24/1194570324.db2.gz LCGQDOUZAAOJML-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC001635758085 1194570690 /nfs/dbraw/zinc/57/06/90/1194570690.db2.gz XFPHVMWHWYBKNL-JQIJEIRASA-N 0 3 316.445 3.065 20 30 DGEDHN C=C(CC)CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC001636140778 1194595565 /nfs/dbraw/zinc/59/55/65/1194595565.db2.gz LAXIMFQXOVCRCS-UHFFFAOYSA-N 0 3 317.477 3.159 20 30 DGEDHN CCCN(C)[C@H](CNC(=O)C#CC(C)C)c1ccc(Cl)cc1 ZINC001636232719 1194602303 /nfs/dbraw/zinc/60/23/03/1194602303.db2.gz PXOOKFJXBHPTKK-QGZVFWFLSA-N 0 3 320.864 3.499 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1oc2c(cccc2F)c1C ZINC001640016111 1194791579 /nfs/dbraw/zinc/79/15/79/1194791579.db2.gz PXNRDVKPFFQGGP-UHFFFAOYSA-N 0 3 318.392 3.460 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)NCCN1CCCC(C)(C)C1 ZINC001641500329 1194857952 /nfs/dbraw/zinc/85/79/52/1194857952.db2.gz BWRIJAMLTPIJIH-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001642069546 1194886513 /nfs/dbraw/zinc/88/65/13/1194886513.db2.gz IIMYTYGRAKBLIN-IBGZPJMESA-N 0 3 314.473 3.263 20 30 DGEDHN C#CCOCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001642599373 1194922089 /nfs/dbraw/zinc/92/20/89/1194922089.db2.gz UCQHEZBEECNIND-UHFFFAOYSA-N 0 3 304.393 3.307 20 30 DGEDHN N#Cc1cc(F)cc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC001642719293 1194931380 /nfs/dbraw/zinc/93/13/80/1194931380.db2.gz VHTLYJWGCDYPGQ-QGZVFWFLSA-N 0 3 315.392 3.433 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC001643758079 1195052186 /nfs/dbraw/zinc/05/21/86/1195052186.db2.gz CZGJMIVKXXDHPU-QGZVFWFLSA-N 0 3 312.457 3.466 20 30 DGEDHN CCC#C[C@H](C)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC001644823878 1195136783 /nfs/dbraw/zinc/13/67/83/1195136783.db2.gz WXPMROCTTIVDDU-HNNXBMFYSA-N 0 3 314.429 3.148 20 30 DGEDHN CN1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C(C)(C)C ZINC001646537214 1195233485 /nfs/dbraw/zinc/23/34/85/1195233485.db2.gz VQCLGTUBUPRXGW-KRWDZBQOSA-N 0 3 304.865 3.354 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1nc(C)sc1C ZINC001649444518 1195340459 /nfs/dbraw/zinc/34/04/59/1195340459.db2.gz SGRBNCNYIYGAIR-PXAZEXFGSA-N 0 3 323.506 3.347 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2scnc2C)CCCC1 ZINC001649451655 1195343136 /nfs/dbraw/zinc/34/31/36/1195343136.db2.gz KPICOVKVJJTQFI-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2F)C1 ZINC001649465016 1195345614 /nfs/dbraw/zinc/34/56/14/1195345614.db2.gz TZEQIMMGIHBDED-PBHICJAKSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2cnccc2o1 ZINC001649468840 1195347158 /nfs/dbraw/zinc/34/71/58/1195347158.db2.gz BSWGANGHRSPWBZ-LBPRGKRZSA-N 0 3 321.808 3.068 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCc2ccncc2)C1 ZINC001651245958 1195431877 /nfs/dbraw/zinc/43/18/77/1195431877.db2.gz QPAGCWYDYXXOCF-FUHWJXTLSA-N 0 3 307.397 3.442 20 30 DGEDHN CC1(C)CCN(CCNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC001651507309 1195472360 /nfs/dbraw/zinc/47/23/60/1195472360.db2.gz QPKMDBXPAIRDNN-UHFFFAOYSA-N 0 3 312.339 3.116 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC001651474871 1195467992 /nfs/dbraw/zinc/46/79/92/1195467992.db2.gz IJDAVUDERZPOSX-NSHDSACASA-N 0 3 304.217 3.419 20 30 DGEDHN C#CCC[C@H](O)CNCc1cc(C(F)(F)F)ccc1Cl ZINC001651499959 1195471905 /nfs/dbraw/zinc/47/19/05/1195471905.db2.gz VVTVJBZEDXEETE-LBPRGKRZSA-N 0 3 305.727 3.223 20 30 DGEDHN Cc1cc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c(C#N)cn1 ZINC001651533395 1195477064 /nfs/dbraw/zinc/47/70/64/1195477064.db2.gz XSZNYQZPLBCNPV-MRXNPFEDSA-N 0 3 312.804 3.066 20 30 DGEDHN C[C@@H](C#N)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001652167806 1195556036 /nfs/dbraw/zinc/55/60/36/1195556036.db2.gz PZOVYVJGMPUJJW-KBPBESRZSA-N 0 3 309.454 3.161 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CC12CC(NCC1(C#N)CCCC1)C2 ZINC001652760192 1195647875 /nfs/dbraw/zinc/64/78/75/1195647875.db2.gz UBTXRHMTXGDCRL-FVRSWCFKSA-N 0 3 319.449 3.106 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 ZINC001653137373 1195691130 /nfs/dbraw/zinc/69/11/30/1195691130.db2.gz WVKWOUUNMZFBMF-IBGZPJMESA-N 0 3 316.408 3.011 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)CO1 ZINC001653305913 1195709800 /nfs/dbraw/zinc/70/98/00/1195709800.db2.gz OBTWVYXBBMWBIB-GOSISDBHSA-N 0 3 316.445 3.212 20 30 DGEDHN C=CCCCN(CC)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001653312675 1195710390 /nfs/dbraw/zinc/71/03/90/1195710390.db2.gz LMHRSUYDYRFDTQ-GOSISDBHSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001654838735 1195846700 /nfs/dbraw/zinc/84/67/00/1195846700.db2.gz YQKZILBNHVAZOD-UHFFFAOYSA-N 0 3 303.522 3.135 20 30 DGEDHN O[C@@H](c1ccccc1)[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC001655275069 1195898455 /nfs/dbraw/zinc/89/84/55/1195898455.db2.gz JRGFBPPWUGBKPM-PMACEKPBSA-N 0 3 309.384 3.375 20 30 DGEDHN Cc1ccc(CCN2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001655357696 1195907885 /nfs/dbraw/zinc/90/78/85/1195907885.db2.gz LGYQCQVFMJEJAX-UHFFFAOYSA-N 0 3 305.425 3.231 20 30 DGEDHN C[C@@H](CN(C)[C@@H]1CCN(c2sccc2C#N)C1=O)C(C)(C)C ZINC001655535998 1195928859 /nfs/dbraw/zinc/92/88/59/1195928859.db2.gz UPBPJRIOIOIMAI-GXTWGEPZSA-N 0 3 319.474 3.339 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001655743768 1195958947 /nfs/dbraw/zinc/95/89/47/1195958947.db2.gz IRBRYIPWYJJLEG-WESCHGGQSA-N 0 3 321.424 3.029 20 30 DGEDHN C#CCCN1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001655794795 1195963672 /nfs/dbraw/zinc/96/36/72/1195963672.db2.gz TZCFXKQRBZBTET-UHFFFAOYSA-N 0 3 300.402 3.415 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001656150328 1196011045 /nfs/dbraw/zinc/01/10/45/1196011045.db2.gz FVSICULYBCKPGS-OTVXOJSOSA-N 0 3 304.409 3.022 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001656157283 1196011198 /nfs/dbraw/zinc/01/11/98/1196011198.db2.gz MDWBTNSUQYQELR-ZVDOUQERSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001656157418 1196011468 /nfs/dbraw/zinc/01/14/68/1196011468.db2.gz QUOBNZTYGQTAFE-GMBSWORKSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001656222071 1196019852 /nfs/dbraw/zinc/01/98/52/1196019852.db2.gz BSGGUOQEMAZASP-AVGNSLFASA-N 0 3 312.866 3.089 20 30 DGEDHN COc1ccc(Cl)cc1[C@H](O)CNCc1csc(C#N)c1 ZINC001656247960 1196023223 /nfs/dbraw/zinc/02/32/23/1196023223.db2.gz ZDUCCJFFOAIQFS-CQSZACIVSA-N 0 3 322.817 3.105 20 30 DGEDHN C=C(Br)CN[C@@H]1CCCc2c(cccc2OC)C1 ZINC001656390264 1196034976 /nfs/dbraw/zinc/03/49/76/1196034976.db2.gz UDSZAJGDRVEGLW-CYBMUJFWSA-N 0 3 310.235 3.441 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C\Cl)CC2 ZINC001656393622 1196035662 /nfs/dbraw/zinc/03/56/62/1196035662.db2.gz JMSXFOQNVABOFD-ZHMISCPASA-N 0 3 310.869 3.408 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C#CC(C)C ZINC001656434672 1196039799 /nfs/dbraw/zinc/03/97/99/1196039799.db2.gz OGSFOUJKCIJILS-ZBFHGGJFSA-N 0 3 310.869 3.005 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2ccccc2n1 ZINC001657079805 1196101583 /nfs/dbraw/zinc/10/15/83/1196101583.db2.gz PVWMTXQIEAMLIA-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@](C)(CC)CCC)CC(C)(C)C1 ZINC001657105881 1196106851 /nfs/dbraw/zinc/10/68/51/1196106851.db2.gz FWLFQSWWQFNHHK-LPHOPBHVSA-N 0 3 306.494 3.443 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001657419600 1196139352 /nfs/dbraw/zinc/13/93/52/1196139352.db2.gz LPLOYVNVPKYQLA-CQSZACIVSA-N 0 3 302.374 3.240 20 30 DGEDHN C[Si](C)(C)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC001657469258 1196145861 /nfs/dbraw/zinc/14/58/61/1196145861.db2.gz CLHHITPHEZYHTP-UHFFFAOYSA-N 0 3 300.503 3.455 20 30 DGEDHN Cc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC001658475259 1196262302 /nfs/dbraw/zinc/26/23/02/1196262302.db2.gz JAAYFGMEPVXJBJ-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN Cc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC001658475259 1196262306 /nfs/dbraw/zinc/26/23/06/1196262306.db2.gz JAAYFGMEPVXJBJ-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC001658487587 1196263603 /nfs/dbraw/zinc/26/36/03/1196263603.db2.gz ILKJBHRQEJKRGA-GFCCVEGCSA-N 0 3 304.217 3.419 20 30 DGEDHN CCOC(=O)[C@](C)(CNCC#Cc1ccccc1)c1ccccc1 ZINC001658885089 1196314395 /nfs/dbraw/zinc/31/43/95/1196314395.db2.gz HSKWLSMNYXXZEW-OAQYLSRUSA-N 0 3 321.420 3.149 20 30 DGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCOCC2)C12CCCCC2 ZINC001660206263 1196457548 /nfs/dbraw/zinc/45/75/48/1196457548.db2.gz PUZPEHHAAAZSRB-JKSUJKDBSA-N 0 3 306.450 3.024 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1coc2ccc(Cl)cc21 ZINC001660383091 1196477290 /nfs/dbraw/zinc/47/72/90/1196477290.db2.gz GJHHHWFQGFAVLO-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC001660822399 1196529482 /nfs/dbraw/zinc/52/94/82/1196529482.db2.gz IBRZTLGFNPOCAZ-PKOBYXMFSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCC(=O)NC[C@@H](N[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC001661111671 1196569111 /nfs/dbraw/zinc/56/91/11/1196569111.db2.gz DMTPCTLMDQTUCJ-YVEFUNNKSA-N 0 3 322.399 3.476 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](NCc1sccc1Cl)C1CC1 ZINC001661128003 1196570883 /nfs/dbraw/zinc/57/08/83/1196570883.db2.gz VLDQUILZLQSWHU-AWEZNQCLSA-N 0 3 324.877 3.045 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CN(C)Cc2ocnc2C)C1 ZINC001661220896 1196583699 /nfs/dbraw/zinc/58/36/99/1196583699.db2.gz KHXPGMHJWMAGEK-INIZCTEOSA-N 0 3 319.449 3.010 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001661244878 1196588142 /nfs/dbraw/zinc/58/81/42/1196588142.db2.gz SVLOUYUQKKTIBI-YESZJQIVSA-N 0 3 313.445 3.034 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661467388 1196608555 /nfs/dbraw/zinc/60/85/55/1196608555.db2.gz DYYLAYLSGPHSJV-AFYVEPGGSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001661470613 1196609223 /nfs/dbraw/zinc/60/92/23/1196609223.db2.gz JTROLDLELSRAOF-CKEIUWERSA-N 0 3 321.490 3.099 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001661732500 1196637827 /nfs/dbraw/zinc/63/78/27/1196637827.db2.gz BLFUVRDYNOWHIP-HNNXBMFYSA-N 0 3 306.475 3.433 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001661742356 1196639279 /nfs/dbraw/zinc/63/92/79/1196639279.db2.gz BQFXRNLFTDHZPZ-ZWKOTPCHSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001661856590 1196653715 /nfs/dbraw/zinc/65/37/15/1196653715.db2.gz QOAKPRJYCCRPER-GOSISDBHSA-N 0 3 320.477 3.050 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001661879824 1196656404 /nfs/dbraw/zinc/65/64/04/1196656404.db2.gz BOBMOEDCJAIWBO-GDBMZVCRSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1ccc(C)s1 ZINC001661896368 1196660302 /nfs/dbraw/zinc/66/03/02/1196660302.db2.gz NRVYFEJFRWQBTB-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2cc(C)ccc2F)CC1 ZINC001662328326 1196708252 /nfs/dbraw/zinc/70/82/52/1196708252.db2.gz AKLSKALLJYAVHT-OAHLLOKOSA-N 0 3 318.436 3.475 20 30 DGEDHN CCCCC1(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001662329697 1196708957 /nfs/dbraw/zinc/70/89/57/1196708957.db2.gz NCMLUGSAQODMFI-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001662878355 1196766866 /nfs/dbraw/zinc/76/68/66/1196766866.db2.gz MEURCDUKGWUJBU-ROUUACIJSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C/C(C)=C/CC(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001662959645 1196776417 /nfs/dbraw/zinc/77/64/17/1196776417.db2.gz IZPVWTQNYOMBLI-HTRKUNOGSA-N 0 3 311.429 3.065 20 30 DGEDHN C#CCCN(C)CCNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001663342613 1196840328 /nfs/dbraw/zinc/84/03/28/1196840328.db2.gz PTGJVZSATAAJDU-UHFFFAOYSA-N 0 3 306.837 3.148 20 30 DGEDHN C=CCN(CC)CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC001663447685 1196869526 /nfs/dbraw/zinc/86/95/26/1196869526.db2.gz VCBZMLQOQVSTQG-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001663547622 1196902414 /nfs/dbraw/zinc/90/24/14/1196902414.db2.gz JZYKNRIDVRECIG-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001663572331 1196906695 /nfs/dbraw/zinc/90/66/95/1196906695.db2.gz LTZFRKQDIDPIIB-AWEZNQCLSA-N 0 3 306.837 3.244 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001663581592 1196909146 /nfs/dbraw/zinc/90/91/46/1196909146.db2.gz DNXPUVFNDXHVSO-INIZCTEOSA-N 0 3 318.848 3.082 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001663688611 1196928306 /nfs/dbraw/zinc/92/83/06/1196928306.db2.gz QYNIOAJSJSPQJD-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(C)cc2Cl)CC1 ZINC001671854670 1196930623 /nfs/dbraw/zinc/93/06/23/1196930623.db2.gz XJPFDICENBTXBQ-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C(C)C)nc1C)C1CC1 ZINC001663757335 1196941480 /nfs/dbraw/zinc/94/14/80/1196941480.db2.gz WUPJXNSAYBTNEC-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2ccnc(Cl)c2)CCC1 ZINC001664169785 1196977275 /nfs/dbraw/zinc/97/72/75/1196977275.db2.gz OXJASCCLWYIUKK-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cncc(CC)c1)c1ccccc1 ZINC001664583208 1197017340 /nfs/dbraw/zinc/01/73/40/1197017340.db2.gz JANXEVSRSNRLDW-IBGZPJMESA-N 0 3 323.440 3.281 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001664667370 1197029735 /nfs/dbraw/zinc/02/97/35/1197029735.db2.gz IYSTTYPSURWGFQ-LSDHHAIUSA-N 0 3 314.420 3.004 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2occ3c2CCC3)C1 ZINC001664673924 1197030793 /nfs/dbraw/zinc/03/07/93/1197030793.db2.gz RZSABMSKFOOLHY-MRXNPFEDSA-N 0 3 316.445 3.271 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H]2C=CCCC2)C1 ZINC001664672881 1197031063 /nfs/dbraw/zinc/03/10/63/1197031063.db2.gz FDVCRVBQYVYRFG-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN CC/C=C(/C)C(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001664700500 1197040193 /nfs/dbraw/zinc/04/01/93/1197040193.db2.gz KNPTXHVAIKSCPG-FFMVHGEESA-N 0 3 324.468 3.223 20 30 DGEDHN C#C[C@@H](NCC1CC(OC)C1)c1ccc(Br)cc1 ZINC001664837781 1197067299 /nfs/dbraw/zinc/06/72/99/1197067299.db2.gz HVKISGNAQWYDBQ-WDIPEOLASA-N 0 3 308.219 3.138 20 30 DGEDHN C#Cc1ccc(C(=O)NCC2CN(CC/C=C\CCC)C2)cc1 ZINC001665316843 1197122354 /nfs/dbraw/zinc/12/23/54/1197122354.db2.gz CXMZIHAMNGNWON-SREVYHEPSA-N 0 3 310.441 3.076 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ncccc2c1 ZINC001665412913 1197133675 /nfs/dbraw/zinc/13/36/75/1197133675.db2.gz JMQUACDCRDAWPL-ROUUACIJSA-N 0 3 321.424 3.100 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001665563907 1197151523 /nfs/dbraw/zinc/15/15/23/1197151523.db2.gz WWVMKRKNQQMQQX-AEFFLSMTSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001665597127 1197156340 /nfs/dbraw/zinc/15/63/40/1197156340.db2.gz NARWESDSLMDDMR-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001665682050 1197170582 /nfs/dbraw/zinc/17/05/82/1197170582.db2.gz SZEGGQFAYNXXQD-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cccc(CC)c2)C1 ZINC001665721877 1197180654 /nfs/dbraw/zinc/18/06/54/1197180654.db2.gz VWHCTLADSHRGCP-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccccc2F)C1 ZINC001665741631 1197185272 /nfs/dbraw/zinc/18/52/72/1197185272.db2.gz FEUBXXIXONHWNN-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCCc2cccs2)C1 ZINC001665742311 1197185400 /nfs/dbraw/zinc/18/54/00/1197185400.db2.gz MQKZKIMLJXHEFN-INIZCTEOSA-N 0 3 318.486 3.017 20 30 DGEDHN C#CCCOC(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001665838170 1197204586 /nfs/dbraw/zinc/20/45/86/1197204586.db2.gz PRALOXINCWJQJW-SFHVURJKSA-N 0 3 314.429 3.133 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CCCC1 ZINC001665957043 1197220840 /nfs/dbraw/zinc/22/08/40/1197220840.db2.gz ULBXLYTWDBEWEO-ZBFHGGJFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C)s1)C1CC1 ZINC001665974673 1197223284 /nfs/dbraw/zinc/22/32/84/1197223284.db2.gz JITPGXFDKWIKJD-OAHLLOKOSA-N 0 3 312.866 3.297 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001665974682 1197223595 /nfs/dbraw/zinc/22/35/95/1197223595.db2.gz JOAKUISDOLWYTB-INIZCTEOSA-N 0 3 310.800 3.066 20 30 DGEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)CCC1CC1)C1CC1 ZINC001665985167 1197224697 /nfs/dbraw/zinc/22/46/97/1197224697.db2.gz PKKYPJXWZCZZHB-OAQYLSRUSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cccnc2)CCCC[C@@H]1C ZINC001666043171 1197229900 /nfs/dbraw/zinc/22/99/00/1197229900.db2.gz JGVIAAZFSILPME-GUYCJALGSA-N 0 3 321.852 3.102 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cc[nH]c2C)CCCC[C@@H]1C ZINC001666049080 1197231174 /nfs/dbraw/zinc/23/11/74/1197231174.db2.gz JFISTOOKKBWSKR-YVEFUNNKSA-N 0 3 323.868 3.344 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc[nH]c2C(C)C)cc1 ZINC001666340892 1197253883 /nfs/dbraw/zinc/25/38/83/1197253883.db2.gz DAOFEUYOPNEARE-UHFFFAOYSA-N 0 3 323.440 3.181 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2c(C)noc2C)CCCC1 ZINC001666778711 1197284544 /nfs/dbraw/zinc/28/45/44/1197284544.db2.gz RKNRARKHSUMEAM-UHFFFAOYSA-N 0 3 319.449 3.022 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001666967235 1197302324 /nfs/dbraw/zinc/30/23/24/1197302324.db2.gz KYMHRJUVAABLGZ-HNNXBMFYSA-N 0 3 317.477 3.354 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2csc(C)n2)[C@@H](C)C1 ZINC001667198184 1197329275 /nfs/dbraw/zinc/32/92/75/1197329275.db2.gz NSXBEGIQIUWYPW-BBRMVZONSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001667257292 1197333546 /nfs/dbraw/zinc/33/35/46/1197333546.db2.gz FMOYGYXKZPLOSA-HNNXBMFYSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001667272470 1197333992 /nfs/dbraw/zinc/33/39/92/1197333992.db2.gz DHTFCDKWEDDYBC-AWEZNQCLSA-N 0 3 316.848 3.240 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](NCc1ccccc1F)C(C)C ZINC001667489483 1197353326 /nfs/dbraw/zinc/35/33/26/1197353326.db2.gz VMZRURQEEVCYAQ-SFHVURJKSA-N 0 3 318.436 3.250 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CCCc1cc(C)sc1C ZINC001667668887 1197377751 /nfs/dbraw/zinc/37/77/51/1197377751.db2.gz GTJIISUHVQSDML-UHFFFAOYSA-N 0 3 308.491 3.264 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2ccncc2Cl)C1 ZINC001668204240 1197404580 /nfs/dbraw/zinc/40/45/80/1197404580.db2.gz VNBCXTFXPXYFEU-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(F)cccc1Cl ZINC001668283624 1197407965 /nfs/dbraw/zinc/40/79/65/1197407965.db2.gz SSOLWZBRTPNGBI-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001668586587 1197420662 /nfs/dbraw/zinc/42/06/62/1197420662.db2.gz KUQONLBJDITYAN-DLBZAZTESA-N 0 3 306.494 3.300 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001669210122 1197443790 /nfs/dbraw/zinc/44/37/90/1197443790.db2.gz FNBMWKPLRBZJCM-QGZVFWFLSA-N 0 3 315.461 3.162 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCCCC1 ZINC001669251823 1197445241 /nfs/dbraw/zinc/44/52/41/1197445241.db2.gz SNGARXVTGQNFNR-QGZVFWFLSA-N 0 3 310.441 3.023 20 30 DGEDHN CC(C)[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001669411971 1197453665 /nfs/dbraw/zinc/45/36/65/1197453665.db2.gz YZHUQKBCRICGTQ-HUUCEWRRSA-N 0 3 320.864 3.078 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cncs2)CCCCC1 ZINC001669477946 1197457045 /nfs/dbraw/zinc/45/70/45/1197457045.db2.gz AYJBRGFMMCUFSH-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001669783596 1197482082 /nfs/dbraw/zinc/48/20/82/1197482082.db2.gz WJHIJDWPJAHPOQ-AWEZNQCLSA-N 0 3 300.402 3.336 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC001670260978 1197528929 /nfs/dbraw/zinc/52/89/29/1197528929.db2.gz BMIWZVCOGQYARZ-OAHLLOKOSA-N 0 3 308.853 3.289 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2ccc(C)cc2)CC1 ZINC001671419451 1197539545 /nfs/dbraw/zinc/53/95/45/1197539545.db2.gz PQDJTERZJFJJCP-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCN(C(=O)C1CCCCC1)C1CCN(CC(=C)C)CC1 ZINC001671450234 1197540392 /nfs/dbraw/zinc/54/03/92/1197540392.db2.gz AMAVQPUWZRELSY-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001671679270 1197561779 /nfs/dbraw/zinc/56/17/79/1197561779.db2.gz UMWMBCMLEUEWDZ-KSSFIOAISA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001671969083 1197588197 /nfs/dbraw/zinc/58/81/97/1197588197.db2.gz SBMZMFYEOQWOLU-CYBMUJFWSA-N 0 3 320.399 3.022 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001672170661 1197594184 /nfs/dbraw/zinc/59/41/84/1197594184.db2.gz JDASAAVOECYZII-QTQQGTETSA-N 0 3 316.489 3.317 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC001672419452 1197610969 /nfs/dbraw/zinc/61/09/69/1197610969.db2.gz ICUREQBHOHBNCW-CALCHBBNSA-N 0 3 316.420 3.072 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(CCF)CC2)cc1 ZINC001672943922 1197630168 /nfs/dbraw/zinc/63/01/68/1197630168.db2.gz UDDNDYSWJSDZKW-HNNXBMFYSA-N 0 3 316.420 3.117 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001673013785 1197634625 /nfs/dbraw/zinc/63/46/25/1197634625.db2.gz XRTHXDUGFATLDC-JKSUJKDBSA-N 0 3 310.457 3.261 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C)c3ccccc23)CCC1 ZINC001673213842 1197644481 /nfs/dbraw/zinc/64/44/81/1197644481.db2.gz ASQJLDBZMWVBMJ-UHFFFAOYSA-N 0 3 320.436 3.414 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001673628715 1197680225 /nfs/dbraw/zinc/68/02/25/1197680225.db2.gz BTFFZGSGFLUFME-GOSISDBHSA-N 0 3 323.440 3.138 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@](C)(F)CCCC)C2 ZINC001673645610 1197683850 /nfs/dbraw/zinc/68/38/50/1197683850.db2.gz MAPQHEKFGIHQCF-MOPGFXCFSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](C)n3cccc3)cc2C1 ZINC001673761541 1197690792 /nfs/dbraw/zinc/69/07/92/1197690792.db2.gz XYFHODQFZREGRK-INIZCTEOSA-N 0 3 323.440 3.257 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001674140944 1197737138 /nfs/dbraw/zinc/73/71/38/1197737138.db2.gz JDPFSTKXXWNUDU-WBVHZDCISA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC001674203964 1197745911 /nfs/dbraw/zinc/74/59/11/1197745911.db2.gz GDWHIDHUJADHAU-XGACYXMMSA-N 0 3 324.827 3.466 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001674379599 1197766816 /nfs/dbraw/zinc/76/68/16/1197766816.db2.gz ORQDWYDFEFSKTB-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001674476047 1197783176 /nfs/dbraw/zinc/78/31/76/1197783176.db2.gz WGTBVZWMGFDNMI-INIZCTEOSA-N 0 3 311.429 3.199 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](F)CC1CCCCC1 ZINC001674491603 1197786171 /nfs/dbraw/zinc/78/61/71/1197786171.db2.gz PLULYRAXCYOARU-IAGOWNOFSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@](C)(CC)CCC)C1 ZINC001674595633 1197799725 /nfs/dbraw/zinc/79/97/25/1197799725.db2.gz UDUWYIAQXXCZHL-XUJLQICISA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(Cl)s2)C1 ZINC001674603479 1197800974 /nfs/dbraw/zinc/80/09/74/1197800974.db2.gz BTPKJUJZVDSJDC-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccccc1Cl ZINC001674662518 1197825310 /nfs/dbraw/zinc/82/53/10/1197825310.db2.gz XTBFVDZQHAGYBD-KBPBESRZSA-N 0 3 306.837 3.126 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674672221 1197829878 /nfs/dbraw/zinc/82/98/78/1197829878.db2.gz FJHYSQLUOPEOKD-KBPBESRZSA-N 0 3 317.408 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1OC ZINC001674717009 1197845205 /nfs/dbraw/zinc/84/52/05/1197845205.db2.gz RFUXEIBPXBKYOR-GJZGRUSLSA-N 0 3 318.461 3.199 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2cccc(Cl)n2)C1 ZINC001674729889 1197853034 /nfs/dbraw/zinc/85/30/34/1197853034.db2.gz XBGKIZGPHQDSDO-STQMWFEESA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C12CCC(CC1)C2 ZINC001674839371 1197886672 /nfs/dbraw/zinc/88/66/72/1197886672.db2.gz FIKDOXAKNCUYNF-UHFFFAOYSA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001675015416 1197962267 /nfs/dbraw/zinc/96/22/67/1197962267.db2.gz NKYKTQXPZFFLGQ-UHOFOFEASA-N 0 3 306.837 3.066 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCCCN1CC#CC ZINC001675253657 1198023691 /nfs/dbraw/zinc/02/36/91/1198023691.db2.gz WAMIKADQQGUPLU-GOSISDBHSA-N 0 3 302.462 3.139 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001675263333 1198027542 /nfs/dbraw/zinc/02/75/42/1198027542.db2.gz PNFMVTMFDWLYAU-CVEARBPZSA-N 0 3 318.486 3.236 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001675284528 1198036509 /nfs/dbraw/zinc/03/65/09/1198036509.db2.gz DLCISKAPPDXPFK-HZPDHXFCSA-N 0 3 300.446 3.459 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001675417161 1198061362 /nfs/dbraw/zinc/06/13/62/1198061362.db2.gz CKTLDLQWPNJHRZ-HKUYNNGSSA-N 0 3 322.493 3.225 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)cc1C ZINC001675454166 1198070180 /nfs/dbraw/zinc/07/01/80/1198070180.db2.gz LTUQYLPFJFRQFJ-IBGZPJMESA-N 0 3 324.468 3.043 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001675635790 1198099737 /nfs/dbraw/zinc/09/97/37/1198099737.db2.gz QGPZYTJFFPMICO-IXDOHACOSA-N 0 3 322.880 3.149 20 30 DGEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)/C(C)=C/CC ZINC001675864384 1198160363 /nfs/dbraw/zinc/16/03/63/1198160363.db2.gz ZUEPHXIIHHHVBU-SVTZGKHISA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001675959022 1198180166 /nfs/dbraw/zinc/18/01/66/1198180166.db2.gz PTNFTCSDDBBGAQ-WBMJQRKESA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001675959021 1198180524 /nfs/dbraw/zinc/18/05/24/1198180524.db2.gz PTNFTCSDDBBGAQ-MLGOLLRUSA-N 0 3 324.827 3.092 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001676052730 1198207739 /nfs/dbraw/zinc/20/77/39/1198207739.db2.gz XJDPTBLCRKBJEY-WDZFZDKYSA-N 0 3 310.869 3.430 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001676651252 1198358522 /nfs/dbraw/zinc/35/85/22/1198358522.db2.gz VRCOGHCKDGTTSO-NWDGAFQWSA-N 0 3 319.276 3.487 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cccnc2C)C[C@@H]1C ZINC001676729190 1198374530 /nfs/dbraw/zinc/37/45/30/1198374530.db2.gz KXCQWJSOGTXILQ-WMLDXEAASA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001676755434 1198380250 /nfs/dbraw/zinc/38/02/50/1198380250.db2.gz LABJUVFAFJEIIA-WFASDCNBSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(C)nc2C)C[C@@H]1C ZINC001676757361 1198381973 /nfs/dbraw/zinc/38/19/73/1198381973.db2.gz XUXLQGGRVMDDNA-YJBOKZPZSA-N 0 3 315.461 3.134 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001676774950 1198385676 /nfs/dbraw/zinc/38/56/76/1198385676.db2.gz OYFDCNOTCHUFOM-CRAIPNDOSA-N 0 3 312.457 3.200 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](CCC)C(C)C)CCC[C@H]12 ZINC001676813609 1198396728 /nfs/dbraw/zinc/39/67/28/1198396728.db2.gz AZKLSUCELCJISR-ZIFCJYIRSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001676816875 1198400613 /nfs/dbraw/zinc/40/06/13/1198400613.db2.gz UYLQHUGYFFYKKE-HIFRSBDPSA-N 0 3 318.383 3.408 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNCc2csc(CC)n2)C1 ZINC001676909731 1198431948 /nfs/dbraw/zinc/43/19/48/1198431948.db2.gz GFSAQVAUNGGZGK-UONOGXRCSA-N 0 3 321.490 3.046 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H](NC/C=C/Cl)C(C)(C)C2)CCC1 ZINC001677024185 1198466732 /nfs/dbraw/zinc/46/67/32/1198466732.db2.gz WVKAMXKHQYKSCP-XYYIANASSA-N 0 3 310.869 3.312 20 30 DGEDHN Cc1ccc(CN(C)CCN(C(=O)C#CC2CC2)C(C)C)cc1 ZINC001677199206 1198485053 /nfs/dbraw/zinc/48/50/53/1198485053.db2.gz XHWFTGUQJYQYCD-UHFFFAOYSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccsc1Cl)C(C)C ZINC001677215655 1198491699 /nfs/dbraw/zinc/49/16/99/1198491699.db2.gz VJTZCHRJLDLTEF-UHFFFAOYSA-N 0 3 300.855 3.370 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)Cc1ccco1)C(C)C ZINC001677215526 1198491786 /nfs/dbraw/zinc/49/17/86/1198491786.db2.gz QGBWTUXXJJKUJM-INIZCTEOSA-N 0 3 306.450 3.203 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C(C)C ZINC001677215105 1198491841 /nfs/dbraw/zinc/49/18/41/1198491841.db2.gz AXCIUXXEOBTWMA-SJORKVTESA-N 0 3 308.510 3.497 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1sccc1OC)C(C)C ZINC001677219496 1198492977 /nfs/dbraw/zinc/49/29/77/1198492977.db2.gz UUBBOLKWIOHHBM-UHFFFAOYSA-N 0 3 310.463 3.115 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2c1CCC2)C(C)C ZINC001677224044 1198494375 /nfs/dbraw/zinc/49/43/75/1198494375.db2.gz VZSSQUFPNLEJGC-UHFFFAOYSA-N 0 3 300.446 3.144 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)/C=C/C(C)(C)C)CC[C@H]1C(F)(F)F ZINC001677372009 1198524389 /nfs/dbraw/zinc/52/43/89/1198524389.db2.gz OPYCYYBEYFRTBX-ZYARKTQMSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCC2CC2)CC[C@H]1C(F)(F)F ZINC001677376579 1198526049 /nfs/dbraw/zinc/52/60/49/1198526049.db2.gz WQLITBILTDUKJK-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC001679217538 1198774661 /nfs/dbraw/zinc/77/46/61/1198774661.db2.gz VLWZGDHBOBODKB-MRXNPFEDSA-N 0 3 309.498 3.092 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3occc3-c3ccccc3)C2)C1 ZINC001686303267 1199551154 /nfs/dbraw/zinc/55/11/54/1199551154.db2.gz KSORUCCUFOPRON-UHFFFAOYSA-N 0 3 322.408 3.281 20 30 DGEDHN C=CCC1(NC(=O)NC[C@@H]2CCCCN2C2CC2)CCCC1 ZINC001686387046 1199561672 /nfs/dbraw/zinc/56/16/72/1199561672.db2.gz JLNQKCUAAVIOGC-INIZCTEOSA-N 0 3 305.466 3.191 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001686634537 1199577664 /nfs/dbraw/zinc/57/76/64/1199577664.db2.gz VOPLKKFTBUWAFI-INIZCTEOSA-N 0 3 321.509 3.188 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001688886613 1199943095 /nfs/dbraw/zinc/94/30/95/1199943095.db2.gz SZYWEZMVYKFCBW-YJBOKZPZSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1oc(CCC)nc1C ZINC001688893843 1199946922 /nfs/dbraw/zinc/94/69/22/1199946922.db2.gz LYRQDLBJKVJDJI-OAHLLOKOSA-N 0 3 319.449 3.048 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(C)CCCCC1)C(C)C ZINC001753838194 1199987362 /nfs/dbraw/zinc/98/73/62/1199987362.db2.gz OZVPFDFWVFOBGQ-CQSZACIVSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1CCC(F)(F)CC1)C(C)C ZINC001753840706 1199990372 /nfs/dbraw/zinc/99/03/72/1199990372.db2.gz KHGVQLANRJQGQH-ZDUSSCGKSA-N 0 3 322.827 3.295 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCC3(C)CC3)C2)CC1 ZINC001689026243 1199996580 /nfs/dbraw/zinc/99/65/80/1199996580.db2.gz JSSOESZCCZPBKA-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1ocnc1C ZINC001689041391 1200002748 /nfs/dbraw/zinc/00/27/48/1200002748.db2.gz IDYNWISQHYMLMP-HOCLYGCPSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001753854945 1200003853 /nfs/dbraw/zinc/00/38/53/1200003853.db2.gz FHLYXBOFWJFXLC-ZIAGYGMSSA-N 0 3 320.399 3.321 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(C)occ1C(F)(F)F ZINC001753858365 1200007215 /nfs/dbraw/zinc/00/72/15/1200007215.db2.gz YLLTZLVXBYIMLW-UHFFFAOYSA-N 0 3 318.339 3.187 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001753864578 1200014180 /nfs/dbraw/zinc/01/41/80/1200014180.db2.gz PMXHFZBLKMWJDY-AWEZNQCLSA-N 0 3 308.853 3.095 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C[C@H](c1ccccc1)C(C)C ZINC001753874452 1200026674 /nfs/dbraw/zinc/02/66/74/1200026674.db2.gz DWMJLPWHVJCCPR-IBGZPJMESA-N 0 3 314.473 3.230 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C=C(CC)CC)C(C)(C)[C@@H]21 ZINC001689141954 1200043109 /nfs/dbraw/zinc/04/31/09/1200043109.db2.gz GEIWSKMZPCCNBO-BHIYHBOVSA-N 0 3 316.489 3.361 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C=C(CC)CC ZINC001689141956 1200043568 /nfs/dbraw/zinc/04/35/68/1200043568.db2.gz GEIWSKMZPCCNBO-NZSAHSFTSA-N 0 3 316.489 3.361 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)[C@H]21 ZINC001689141744 1200044152 /nfs/dbraw/zinc/04/41/52/1200044152.db2.gz BVGXLHRJTDFRDA-ROUINELCSA-N 0 3 316.489 3.217 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCC)C1 ZINC001689150574 1200045618 /nfs/dbraw/zinc/04/56/18/1200045618.db2.gz VNQMWGHJQCYNPA-RTBURBONSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2C)[C@H]1CC ZINC001689199448 1200058916 /nfs/dbraw/zinc/05/89/16/1200058916.db2.gz CWHHVMWRCYFNLZ-NZSAHSFTSA-N 0 3 314.473 3.329 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2C)[C@H]1C ZINC001689321665 1200094664 /nfs/dbraw/zinc/09/46/64/1200094664.db2.gz PGHVVDLZDMSMRI-NUJGCVRESA-N 0 3 300.446 3.254 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(C)c(C)c1 ZINC001689353913 1200107456 /nfs/dbraw/zinc/10/74/56/1200107456.db2.gz PUUZGEUKHGWKDF-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccc(C)s1 ZINC001689354872 1200108133 /nfs/dbraw/zinc/10/81/33/1200108133.db2.gz BTSVIJFELQDFPF-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccc(C)c2ccccc12 ZINC001754177296 1200124372 /nfs/dbraw/zinc/12/43/72/1200124372.db2.gz UJELKOYRXFSQLU-BQYQJAHWSA-N 0 3 306.409 3.047 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1cc(CC)c(CCC)s1 ZINC001754203902 1200130628 /nfs/dbraw/zinc/13/06/28/1200130628.db2.gz IYXGSZRWIAGFOM-CMDGGOBGSA-N 0 3 318.486 3.162 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001754309159 1200195380 /nfs/dbraw/zinc/19/53/80/1200195380.db2.gz AEJRXDVXFHBFQC-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN CCC(CC)C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001754360262 1200243330 /nfs/dbraw/zinc/24/33/30/1200243330.db2.gz WVYVLEHJNKAOAU-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(c2ccccc2F)CC1 ZINC001754407078 1200254887 /nfs/dbraw/zinc/25/48/87/1200254887.db2.gz KOAHNOXMHDBUMP-UHFFFAOYSA-N 0 3 324.827 3.048 20 30 DGEDHN O=C(CCC1CCC1)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754437180 1200262753 /nfs/dbraw/zinc/26/27/53/1200262753.db2.gz HSONXBLIMSELBG-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001754484884 1200296066 /nfs/dbraw/zinc/29/60/66/1200296066.db2.gz KFXQDMHQCDXKFC-QGZVFWFLSA-N 0 3 300.446 3.350 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001754485717 1200296703 /nfs/dbraw/zinc/29/67/03/1200296703.db2.gz ANIGHIBCEXMECL-KBPBESRZSA-N 0 3 302.409 3.193 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001754488020 1200298423 /nfs/dbraw/zinc/29/84/23/1200298423.db2.gz VEAWLEYXBVXZIH-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1c(Cl)oc2ccccc21 ZINC001689825136 1200298897 /nfs/dbraw/zinc/29/88/97/1200298897.db2.gz JNSLGPWPHDBZCC-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCCN([C@@H](C)c1ccccc1F)C1CC1 ZINC001689979082 1200353499 /nfs/dbraw/zinc/35/34/99/1200353499.db2.gz PYANHBDWKVSWFB-KBPBESRZSA-N 0 3 317.408 3.017 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001690050489 1200385179 /nfs/dbraw/zinc/38/51/79/1200385179.db2.gz LBOGPOQUMOEKSU-RTBURBONSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC001754630778 1200406310 /nfs/dbraw/zinc/40/63/10/1200406310.db2.gz CGTABKTUDKWAJO-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cocc2C)CC1 ZINC001690136110 1200415582 /nfs/dbraw/zinc/41/55/82/1200415582.db2.gz FBGKXTWVKPNCLT-UHFFFAOYSA-N 0 3 304.434 3.481 20 30 DGEDHN C#CCC1(C(=O)N[C@@H](CNCCF)C2CCCC2)CCCCC1 ZINC001754656536 1200420438 /nfs/dbraw/zinc/42/04/38/1200420438.db2.gz QGNZYNUHYRBBLJ-KRWDZBQOSA-N 0 3 322.468 3.194 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(CCCC)CC1)C2 ZINC001754661735 1200424562 /nfs/dbraw/zinc/42/45/62/1200424562.db2.gz KIXKXGFOTJAPAX-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(CCOC2CCCCCC2)C1 ZINC001754668032 1200428927 /nfs/dbraw/zinc/42/89/27/1200428927.db2.gz CSNVSNOUMWACNY-IBGZPJMESA-N 0 3 322.493 3.273 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001754681893 1200441546 /nfs/dbraw/zinc/44/15/46/1200441546.db2.gz GPPSIAZCHWRJQA-CXAGYDPISA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001754681578 1200441720 /nfs/dbraw/zinc/44/17/20/1200441720.db2.gz CUVVBFXCEDPUDK-KDOFPFPSSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CN(C)Cc2ccccn2)C1 ZINC001690191833 1200447052 /nfs/dbraw/zinc/44/70/52/1200447052.db2.gz BAGLMNZFHDLPPU-KRWDZBQOSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001690203786 1200453345 /nfs/dbraw/zinc/45/33/45/1200453345.db2.gz PGCOVAWKJZLRMK-HDICACEKSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCC)OCC ZINC001690209783 1200455770 /nfs/dbraw/zinc/45/57/70/1200455770.db2.gz LIPYVORKVNBPNF-WNRNVDISSA-N 0 3 322.493 3.222 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CC2(C)CCCCC2)CC1 ZINC001754719578 1200462586 /nfs/dbraw/zinc/46/25/86/1200462586.db2.gz SJLVEOJEOWWLCP-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001754728907 1200472412 /nfs/dbraw/zinc/47/24/12/1200472412.db2.gz ZOTQVPKFOOTASM-GOSISDBHSA-N 0 3 319.449 3.124 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001690277841 1200472474 /nfs/dbraw/zinc/47/24/74/1200472474.db2.gz LPSSUAQURZLSKV-KKUMJFAQSA-N 0 3 304.409 3.480 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001690277688 1200473072 /nfs/dbraw/zinc/47/30/72/1200473072.db2.gz GGPKHIWSHNGLGP-SHTZXODSSA-N 0 3 308.372 3.058 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001754731110 1200475465 /nfs/dbraw/zinc/47/54/65/1200475465.db2.gz PAXFGKNMEQNFFB-IEBWSBKVSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001754731111 1200476137 /nfs/dbraw/zinc/47/61/37/1200476137.db2.gz PAXFGKNMEQNFFB-MJGOQNOKSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2scnc2C2CC2)C1 ZINC001754731627 1200477312 /nfs/dbraw/zinc/47/73/12/1200477312.db2.gz 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ZINC001690449056 1200565587 /nfs/dbraw/zinc/56/55/87/1200565587.db2.gz XFLNLYRTJRIMOE-INIZCTEOSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2scnc2C)CCC1 ZINC001754985843 1200571350 /nfs/dbraw/zinc/57/13/50/1200571350.db2.gz HQKYTPYUFKKOBX-INIZCTEOSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC2(C)CC2)C1 ZINC001755047252 1200617807 /nfs/dbraw/zinc/61/78/07/1200617807.db2.gz MSEZDRWSCDOVPF-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001755115452 1200643062 /nfs/dbraw/zinc/64/30/62/1200643062.db2.gz XNANTHAFPBLJOR-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](C)N[C@H](C)c2ccccc2F)cc1 ZINC001690610260 1200646867 /nfs/dbraw/zinc/64/68/67/1200646867.db2.gz JVBAFFMJPBVMGC-LSDHHAIUSA-N 0 3 324.399 3.276 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001690632249 1200660424 /nfs/dbraw/zinc/66/04/24/1200660424.db2.gz UHAKYGAKOWLPDY-UIAACRFSSA-N 0 3 320.436 3.061 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001755169208 1200674199 /nfs/dbraw/zinc/67/41/99/1200674199.db2.gz LKTUGFFUDMDMST-DOTOQJQBSA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001755171126 1200676386 /nfs/dbraw/zinc/67/63/86/1200676386.db2.gz KXQBNAXWBTULPR-MOPGFXCFSA-N 0 3 324.468 3.468 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC(=C)C ZINC001755172837 1200677640 /nfs/dbraw/zinc/67/76/40/1200677640.db2.gz YXGHQYAATVFRMW-HXUWFJFHSA-N 0 3 324.468 3.472 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1=CCCCCC1 ZINC001755186275 1200685131 /nfs/dbraw/zinc/68/51/31/1200685131.db2.gz MVGHLHUAMAVODY-WOJBJXKFSA-N 0 3 322.452 3.272 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001690730432 1200690356 /nfs/dbraw/zinc/69/03/56/1200690356.db2.gz NJHWLOGOROUHFK-QLGNDSFESA-N 0 3 323.440 3.019 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC001690776715 1200709411 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C=CC(C)(C)CC(=O)NCC[C@@H](C)NCc1ccncc1Cl ZINC001690844564 1200747428 /nfs/dbraw/zinc/74/74/28/1200747428.db2.gz GRTCPJAYRSHXIP-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1ccc(C)cc1 ZINC001690851538 1200750721 /nfs/dbraw/zinc/75/07/21/1200750721.db2.gz AEGUDPHNUIFXSX-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNCc1conc1C ZINC001755285479 1200762529 /nfs/dbraw/zinc/76/25/29/1200762529.db2.gz IGIYWNCHNZZHMM-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1CC ZINC001755311134 1200794225 /nfs/dbraw/zinc/79/42/25/1200794225.db2.gz IYTNUADRODQQJV-OAHLLOKOSA-N 0 3 302.462 3.398 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2c(C)noc2C)CCCCC1 ZINC001755350043 1200833673 /nfs/dbraw/zinc/83/36/73/1200833673.db2.gz XTIGMGKOUGHHKD-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001691852696 1200837898 /nfs/dbraw/zinc/83/78/98/1200837898.db2.gz KPWAPEAZCJTLFY-FQEVSTJZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001755368886 1200858322 /nfs/dbraw/zinc/85/83/22/1200858322.db2.gz XJSZTPGNNKDYDL-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](F)Cc2ccccc2)[C@H]1CC ZINC001692026931 1200915256 /nfs/dbraw/zinc/91/52/56/1200915256.db2.gz DXBPZHVYVHDZGV-FGTMMUONSA-N 0 3 318.436 3.112 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccccc1CC ZINC001755512831 1200928220 /nfs/dbraw/zinc/92/82/20/1200928220.db2.gz WSJXNQCWLNCJKA-AWEZNQCLSA-N 0 3 308.853 3.490 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001692104597 1200930138 /nfs/dbraw/zinc/93/01/38/1200930138.db2.gz VCJFESCKRVRZRQ-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCC(=O)N1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC001755528769 1200933845 /nfs/dbraw/zinc/93/38/45/1200933845.db2.gz XUVJKKGPGCWAMB-UHFFFAOYSA-N 0 3 317.458 3.009 20 30 DGEDHN C=CCCC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC001755528500 1200934212 /nfs/dbraw/zinc/93/42/12/1200934212.db2.gz ODGFMJOCYKYYOD-UHFFFAOYSA-N 0 3 304.409 3.215 20 30 DGEDHN C[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001692124031 1200940071 /nfs/dbraw/zinc/94/00/71/1200940071.db2.gz HXQXGNLHXFHFMM-MISYRCLQSA-N 0 3 324.468 3.055 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)C(C)(C)C)CC1 ZINC001755535167 1200942691 /nfs/dbraw/zinc/94/26/91/1200942691.db2.gz DNNKRTNSVWOJBJ-UHFFFAOYSA-N 0 3 312.457 3.007 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3ccccc32)C1 ZINC001755688097 1201016024 /nfs/dbraw/zinc/01/60/24/1201016024.db2.gz FWGRPJDWPMPLSC-RDJZCZTQSA-N 0 3 306.409 3.056 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)c1ccccc1C ZINC001692362918 1201037404 /nfs/dbraw/zinc/03/74/04/1201037404.db2.gz VHPHKWXOFANDOI-BZSNNMDCSA-N 0 3 310.441 3.145 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC001692363260 1201038615 /nfs/dbraw/zinc/03/86/15/1201038615.db2.gz CIANARLLPPRXJB-KGLIPLIRSA-N 0 3 309.479 3.306 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCC2 ZINC001692370798 1201039939 /nfs/dbraw/zinc/03/99/39/1201039939.db2.gz DTXZFSARBDHLPA-BPUTZDHNSA-N 0 3 314.429 3.022 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1C ZINC001692366542 1201041425 /nfs/dbraw/zinc/04/14/25/1201041425.db2.gz CPGKMEPLPHBFJP-GJZGRUSLSA-N 0 3 304.459 3.230 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001692384494 1201046178 /nfs/dbraw/zinc/04/61/78/1201046178.db2.gz OZCYACXHEPCZQL-LNLFQRSKSA-N 0 3 302.462 3.374 20 30 DGEDHN CC(C)N(CCN(C)[C@H](C)c1cccc(F)c1)C(=O)[C@@H](C)C#N ZINC001755810440 1201071341 /nfs/dbraw/zinc/07/13/41/1201071341.db2.gz CYEMXQQRYGCIRF-LSDHHAIUSA-N 0 3 319.424 3.215 20 30 DGEDHN C=CCCCC(=O)N[C@H](CNCc1cnc(C)s1)C(C)(C)C ZINC001755831718 1201093750 /nfs/dbraw/zinc/09/37/50/1201093750.db2.gz XFUGTHMZXPLCJL-OAHLLOKOSA-N 0 3 323.506 3.428 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001755845975 1201103053 /nfs/dbraw/zinc/10/30/53/1201103053.db2.gz HBLPLFHEOIJJJA-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C(C)(C)C2CCCCC2)CC1 ZINC001755849981 1201105689 /nfs/dbraw/zinc/10/56/89/1201105689.db2.gz DVOPIRFECWLOIG-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001698554593 1201226618 /nfs/dbraw/zinc/22/66/18/1201226618.db2.gz DUYJUDPSGMELNY-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCC=C(Cl)Cl)C1CC1 ZINC001698644728 1201307677 /nfs/dbraw/zinc/30/76/77/1201307677.db2.gz LJTYGZIJOJFXKL-AWEZNQCLSA-N 0 3 305.249 3.146 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)c2cccs2)C1 ZINC001698587627 1201261863 /nfs/dbraw/zinc/26/18/63/1201261863.db2.gz XHLJOOBOBWLKGW-CABCVRRESA-N 0 3 306.475 3.351 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)(C)C)N[C@@H](C)c1ccccc1F ZINC001698596065 1201268242 /nfs/dbraw/zinc/26/82/42/1201268242.db2.gz ILIQMBIJMPUZPM-GJZGRUSLSA-N 0 3 318.436 3.421 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccnc(Cl)c1 ZINC001698614300 1201285170 /nfs/dbraw/zinc/28/51/70/1201285170.db2.gz ZHYGWQTZSGDNLF-PBHICJAKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCCCC(=O)NC1(CNCc2c(C)noc2C)CCCC1 ZINC001698634798 1201301117 /nfs/dbraw/zinc/30/11/17/1201301117.db2.gz SWLXSXZMMBINDM-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001698660627 1201323038 /nfs/dbraw/zinc/32/30/38/1201323038.db2.gz HFVWHSJBXNLWAN-AWEZNQCLSA-N 0 3 310.825 3.172 20 30 DGEDHN CCCC(=O)N1CCC[C@H](CCNCc2ccccc2C#N)C1 ZINC001698662089 1201325086 /nfs/dbraw/zinc/32/50/86/1201325086.db2.gz ONJBCWIDDPHISA-MRXNPFEDSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1nc(C)c(C)s1 ZINC001698762976 1201398446 /nfs/dbraw/zinc/39/84/46/1201398446.db2.gz WJQHNSXUYJNQOT-GFCCVEGCSA-N 0 3 323.506 3.204 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc[nH]c2CCC)CCCC1 ZINC001698800873 1201430142 /nfs/dbraw/zinc/43/01/42/1201430142.db2.gz XDKSCABMMCIQMY-UHFFFAOYSA-N 0 3 323.868 3.352 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001698853307 1201509066 /nfs/dbraw/zinc/50/90/66/1201509066.db2.gz XMVJLQXMROCXDK-PKOBYXMFSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccccn1)C1CCCCC1 ZINC001698876205 1201537472 /nfs/dbraw/zinc/53/74/72/1201537472.db2.gz ABGAFGBVVRFMCI-SFHVURJKSA-N 0 3 315.461 3.203 20 30 DGEDHN C#CCC1(C(=O)N[C@@H](CNCCF)CC(C)C)CCCCC1 ZINC001698877921 1201539791 /nfs/dbraw/zinc/53/97/91/1201539791.db2.gz JZTNYKZLDXQAFR-MRXNPFEDSA-N 0 3 310.457 3.050 20 30 DGEDHN C=C(Br)CN[C@@H](CNC(=O)CC(C)(C)C)C(C)C ZINC001698959242 1201593733 /nfs/dbraw/zinc/59/37/33/1201593733.db2.gz GXEOADMWJMLNCA-LBPRGKRZSA-N 0 3 319.287 3.062 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C1(C)CC=CC1)NCC#Cc1ccccc1 ZINC001698970628 1201625123 /nfs/dbraw/zinc/62/51/23/1201625123.db2.gz BFEGVERKJTVJHI-LJQANCHMSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)c1ccsc1)C(C)C ZINC001698972921 1201627545 /nfs/dbraw/zinc/62/75/45/1201627545.db2.gz OYELEMUUUCPBRY-TZMCWYRMSA-N 0 3 314.882 3.335 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001699001253 1201667340 /nfs/dbraw/zinc/66/73/40/1201667340.db2.gz OCVXEJVANQXRSW-UHFFFAOYSA-N 0 3 323.506 3.312 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](F)c1ccccc1 ZINC001750933270 1201729888 /nfs/dbraw/zinc/72/98/88/1201729888.db2.gz MKJKWHNPAGPJPJ-DLBZAZTESA-N 0 3 304.409 3.196 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2ccc(CF)cc2)C1 ZINC001699305577 1201784742 /nfs/dbraw/zinc/78/47/42/1201784742.db2.gz SZROIVXPFVIWLU-ARJAWSKDSA-N 0 3 316.420 3.274 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC1CCCCC1 ZINC001699351074 1201798978 /nfs/dbraw/zinc/79/89/78/1201798978.db2.gz CSECIBXTUQSQIF-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CC1=CCCCC1 ZINC001699358311 1201808744 /nfs/dbraw/zinc/80/87/44/1201808744.db2.gz WVAJKTNPYCUVRZ-QGZVFWFLSA-N 0 3 310.441 3.023 20 30 DGEDHN CC#CCN(CCCNC(=O)CC1(c2ccccc2)CC1)C1CC1 ZINC001752260462 1201815014 /nfs/dbraw/zinc/81/50/14/1201815014.db2.gz AKFRZZHMZQVHCC-UHFFFAOYSA-N 0 3 324.468 3.102 20 30 DGEDHN C#CCN(CCCNC(=O)c1cccc2ccccc21)C1CC1 ZINC001752285143 1201816911 /nfs/dbraw/zinc/81/69/11/1201816911.db2.gz PYIQGTGSZKCWLT-UHFFFAOYSA-N 0 3 306.409 3.057 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc2ccccc21)C1CC1 ZINC001752284130 1201817964 /nfs/dbraw/zinc/81/79/64/1201817964.db2.gz AVTVVNGEHJXOKP-UHFFFAOYSA-N 0 3 320.436 3.447 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC001752309905 1201827662 /nfs/dbraw/zinc/82/76/62/1201827662.db2.gz HDBSMKNAMPMNBO-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001699382378 1201829586 /nfs/dbraw/zinc/82/95/86/1201829586.db2.gz QVMMNWCYMYVGIV-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001752431618 1201836528 /nfs/dbraw/zinc/83/65/28/1201836528.db2.gz NFVFBEVURDWRGT-IRXDYDNUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1cc(C)ccc1F)C1CC1 ZINC001752450929 1201842444 /nfs/dbraw/zinc/84/24/44/1201842444.db2.gz OYWOPQUCFUZMQG-KRWDZBQOSA-N 0 3 304.409 3.085 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001699421154 1201854736 /nfs/dbraw/zinc/85/47/36/1201854736.db2.gz ZVUDBGSRRPFHIT-AWEZNQCLSA-N 0 3 300.402 3.383 20 30 DGEDHN CCc1ccccc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001699420420 1201855367 /nfs/dbraw/zinc/85/53/67/1201855367.db2.gz RUFNAKVZPJRFSZ-KRWDZBQOSA-N 0 3 320.436 3.009 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001752542528 1201873092 /nfs/dbraw/zinc/87/30/92/1201873092.db2.gz ANZAMILAOYUMNK-IYBDPMFKSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C1(c2ccccc2)CCCC1 ZINC001699470816 1201916048 /nfs/dbraw/zinc/91/60/48/1201916048.db2.gz FEDLYWZCZSBELJ-INIZCTEOSA-N 0 3 300.446 3.121 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001752781035 1201920034 /nfs/dbraw/zinc/92/00/34/1201920034.db2.gz KGTBKNLNEXSOSV-CRLZUZNUSA-N 0 3 324.468 3.332 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNCc2ncc(C)s2)C1 ZINC001752798664 1201929128 /nfs/dbraw/zinc/92/91/28/1201929128.db2.gz FVJKJHDCMSKPGF-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC001699552352 1201947418 /nfs/dbraw/zinc/94/74/18/1201947418.db2.gz KDGAAYNEYUCXKW-UHFFFAOYSA-N 0 3 324.852 3.278 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001752822895 1201948392 /nfs/dbraw/zinc/94/83/92/1201948392.db2.gz QDBXDNYFRXVMLO-GJZGRUSLSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001752824394 1201951741 /nfs/dbraw/zinc/95/17/41/1201951741.db2.gz WCJFRSMHGNOBRZ-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001752834620 1201961807 /nfs/dbraw/zinc/96/18/07/1201961807.db2.gz VNMOVUBTTIWQBI-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1cc(C)ns1)C1CC1 ZINC001699590738 1201962242 /nfs/dbraw/zinc/96/22/42/1201962242.db2.gz VFJAXFDSOGCETL-DOTOQJQBSA-N 0 3 321.490 3.038 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001752871716 1201985382 /nfs/dbraw/zinc/98/53/82/1201985382.db2.gz GOMXVJBNBPDEIW-HNNXBMFYSA-N 0 3 320.864 3.436 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001752874212 1201988087 /nfs/dbraw/zinc/98/80/87/1201988087.db2.gz CHEBPMYDDVXFJO-CQSZACIVSA-N 0 3 300.402 3.383 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001752877228 1201989683 /nfs/dbraw/zinc/98/96/83/1201989683.db2.gz PLWQKHSLMWBAQO-CHWSQXEVSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cncc(C)c2)CCCC1 ZINC001752923769 1202014778 /nfs/dbraw/zinc/01/47/78/1202014778.db2.gz IMAIUXCRSZHQOI-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccc(OC)cc2)CC1 ZINC001699664137 1202023260 /nfs/dbraw/zinc/02/32/60/1202023260.db2.gz XRNJAGXZBLPNOF-GOSISDBHSA-N 0 3 316.445 3.036 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001699677309 1202028722 /nfs/dbraw/zinc/02/87/22/1202028722.db2.gz QBDRGYPNVKFVPY-MRXNPFEDSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C(C)(C)F)CC1 ZINC001699684966 1202030190 /nfs/dbraw/zinc/03/01/90/1202030190.db2.gz ZHYCSTMOBDTPAY-UHFFFAOYSA-N 0 3 316.848 3.190 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC001752993117 1202043474 /nfs/dbraw/zinc/04/34/74/1202043474.db2.gz ARYQXUINTFCYJM-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN Cc1ccccc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001753002021 1202051720 /nfs/dbraw/zinc/05/17/20/1202051720.db2.gz UBWAJAJBGPKDJO-MRXNPFEDSA-N 0 3 321.424 3.165 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CC(C)(F)F ZINC001753034020 1202071451 /nfs/dbraw/zinc/07/14/51/1202071451.db2.gz YJOIDTSXXBOBPZ-LBPRGKRZSA-N 0 3 308.800 3.145 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)cc1C)C1CCN(CC=C)CC1 ZINC001699787249 1202078058 /nfs/dbraw/zinc/07/80/58/1202078058.db2.gz UEEKNEPVVZBMOP-UHFFFAOYSA-N 0 3 310.441 3.029 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1csc(C(F)(F)F)c1 ZINC001753055728 1202087753 /nfs/dbraw/zinc/08/77/53/1202087753.db2.gz MUQGUMFRNMWOSF-UHFFFAOYSA-N 0 3 306.353 3.005 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCc2sccc2C)C1 ZINC001699822103 1202098184 /nfs/dbraw/zinc/09/81/84/1202098184.db2.gz FLARNMAWECYCNR-QGZVFWFLSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCCCC(=O)NCC1(C)CCN(Cc2cccnc2)CC1 ZINC001699865033 1202119701 /nfs/dbraw/zinc/11/97/01/1202119701.db2.gz JLYSSUWFHWZGDB-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001753093026 1202122895 /nfs/dbraw/zinc/12/28/95/1202122895.db2.gz SANRLNNTWJYKGN-HOTGVXAUSA-N 0 3 315.461 3.179 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cnc(C3CC3)s2)C1 ZINC001699877526 1202133538 /nfs/dbraw/zinc/13/35/38/1202133538.db2.gz ZTTSZLNXNKAJRA-KRWDZBQOSA-N 0 3 319.474 3.038 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001699879302 1202135679 /nfs/dbraw/zinc/13/56/79/1202135679.db2.gz LONMDFJPAUBOFW-CUYAVPTFSA-N 0 3 304.478 3.361 20 30 DGEDHN Cc1ccc(CN2CCC[C@@H]2CNC(=O)C#CC(C)(C)C)cc1 ZINC001753104253 1202136576 /nfs/dbraw/zinc/13/65/76/1202136576.db2.gz XWKZIXQLVHHKPZ-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c[nH]cc1C)c1ccccc1CC ZINC001699930008 1202138883 /nfs/dbraw/zinc/13/88/83/1202138883.db2.gz DKYPJHXLNKQKAX-SFHVURJKSA-N 0 3 311.429 3.132 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccoc1)c1ccccc1CC ZINC001699931464 1202139429 /nfs/dbraw/zinc/13/94/29/1202139429.db2.gz DWUYGDDTRMQLOJ-SFHVURJKSA-N 0 3 312.413 3.479 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC(C)(F)F)c1ccccc1CC ZINC001699932410 1202139558 /nfs/dbraw/zinc/13/95/58/1202139558.db2.gz SVPNWIVNZGQUBY-OAHLLOKOSA-N 0 3 310.388 3.227 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)C(F)F)c1ccccc1CC ZINC001699931411 1202139900 /nfs/dbraw/zinc/13/99/00/1202139900.db2.gz PFMWVMDVLRMEFE-HNNXBMFYSA-N 0 3 324.415 3.473 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccco1)c1ccccc1CC ZINC001699936660 1202141434 /nfs/dbraw/zinc/14/14/34/1202141434.db2.gz XNBZGBLCMFKHEP-QGZVFWFLSA-N 0 3 312.413 3.479 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001753114117 1202143570 /nfs/dbraw/zinc/14/35/70/1202143570.db2.gz CDQUTZZCVSXSKL-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001753113529 1202143721 /nfs/dbraw/zinc/14/37/21/1202143721.db2.gz PMKIZMUVVMOKQD-ROUUACIJSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001753129994 1202152736 /nfs/dbraw/zinc/15/27/36/1202152736.db2.gz RYVWAXNFVCIXMZ-HNNXBMFYSA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2cc(C)ccc2s1 ZINC001753149065 1202167158 /nfs/dbraw/zinc/16/71/58/1202167158.db2.gz SVEDOGYVCZMBAV-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C(C)C)oc1C)C1CC1 ZINC001753161461 1202177442 /nfs/dbraw/zinc/17/74/42/1202177442.db2.gz GBCJEQYNXNAVOH-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC2(C)C)cc1 ZINC001700095188 1202179084 /nfs/dbraw/zinc/17/90/84/1202179084.db2.gz UFPLLFINOPBZKC-QAPCUYQASA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCCCC(=O)NCc1cccc2c1CCN(CC=C(C)C)C2 ZINC001700122984 1202184228 /nfs/dbraw/zinc/18/42/28/1202184228.db2.gz KJHGUVQFWSNIMR-UHFFFAOYSA-N 0 3 324.468 3.431 20 30 DGEDHN CC[C@H](C)CC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001700131081 1202187470 /nfs/dbraw/zinc/18/74/70/1202187470.db2.gz MZPSOMCRQAKQNR-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCCCC2(C)C)CCC1 ZINC001700143991 1202191842 /nfs/dbraw/zinc/19/18/42/1202191842.db2.gz OFBNRDYTDUVDHT-INIZCTEOSA-N 0 3 304.478 3.245 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C(CC(C)C)CC(C)C)CC1 ZINC001700182410 1202198925 /nfs/dbraw/zinc/19/89/25/1202198925.db2.gz XACXIJSWFVYDAL-GOSISDBHSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)n1cccc1)c1ccccc1 ZINC001753297874 1202199749 /nfs/dbraw/zinc/19/97/49/1202199749.db2.gz UMMBNDJQLVBACA-FUHWJXTLSA-N 0 3 311.429 3.072 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1 ZINC001753304045 1202201673 /nfs/dbraw/zinc/20/16/73/1202201673.db2.gz QXACXNZARKUSLZ-KDURUIRLSA-N 0 3 312.457 3.261 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001753314247 1202204298 /nfs/dbraw/zinc/20/42/98/1202204298.db2.gz ZFZVRJRKBCLBTL-CQSZACIVSA-N 0 3 309.841 3.171 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccc3c2CCC3)C1 ZINC001753322553 1202209603 /nfs/dbraw/zinc/20/96/03/1202209603.db2.gz INDPIFGJQDPHOZ-SFHVURJKSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001753326611 1202212197 /nfs/dbraw/zinc/21/21/97/1202212197.db2.gz GPKVSEQQHYBVRF-IEBWSBKVSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2occc2C)C1 ZINC001753329306 1202213986 /nfs/dbraw/zinc/21/39/86/1202213986.db2.gz YNGYSAAOWXUGMA-INIZCTEOSA-N 0 3 304.434 3.020 20 30 DGEDHN CC[C@@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)C#CC(C)(C)C)C2 ZINC001700227640 1202215241 /nfs/dbraw/zinc/21/52/41/1202215241.db2.gz RICGHOUZGIWGTB-VQIMIIECSA-N 0 3 322.468 3.099 20 30 DGEDHN CCC1(C(=O)NCC[C@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC001753336502 1202217035 /nfs/dbraw/zinc/21/70/35/1202217035.db2.gz UXDRWTACKNMWGV-IBGZPJMESA-N 0 3 324.468 3.057 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@H](F)CC)cc2C1 ZINC001700252335 1202217217 /nfs/dbraw/zinc/21/72/17/1202217217.db2.gz GWMCGIUDIHQBIM-QGZVFWFLSA-N 0 3 304.409 3.333 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001700290500 1202227758 /nfs/dbraw/zinc/22/77/58/1202227758.db2.gz PAYLEKRDDCWAPB-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@H](C)NCc2oc(C)nc2C)CC1 ZINC001700326394 1202237574 /nfs/dbraw/zinc/23/75/74/1202237574.db2.gz FOVKUMHBRZZEEW-ZDUSSCGKSA-N 0 3 319.449 3.022 20 30 DGEDHN CCC/C=C/CCN1CC(CNC(=O)CC#Cc2ccccc2)C1 ZINC001753416725 1202247405 /nfs/dbraw/zinc/24/74/05/1202247405.db2.gz FIASNIDAVHYRKQ-SNAWJCMRSA-N 0 3 324.468 3.223 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ccn1C ZINC001753420133 1202247638 /nfs/dbraw/zinc/24/76/38/1202247638.db2.gz MEDIDERYIQSSJW-IRXDYDNUSA-N 0 3 317.477 3.203 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001753420426 1202247874 /nfs/dbraw/zinc/24/78/74/1202247874.db2.gz WYEPJOQECVKTGZ-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001753420870 1202248536 /nfs/dbraw/zinc/24/85/36/1202248536.db2.gz NLTWHECJGLJDJX-SQNIBIBYSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1Cl ZINC001753424615 1202249201 /nfs/dbraw/zinc/24/92/01/1202249201.db2.gz FFBDRWXZVPJNPN-KBPBESRZSA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccn2c1 ZINC001753424613 1202249854 /nfs/dbraw/zinc/24/98/54/1202249854.db2.gz FEFHXSVILJQLME-MNEFBYGVSA-N 0 3 323.440 3.193 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC001753433113 1202252873 /nfs/dbraw/zinc/25/28/73/1202252873.db2.gz BYCBGRBCENNICD-OLZOCXBDSA-N 0 3 319.276 3.069 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001753434926 1202253826 /nfs/dbraw/zinc/25/38/26/1202253826.db2.gz ZIGFSJQSFIKBMC-GOSISDBHSA-N 0 3 323.440 3.234 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(Cl)s2)C1 ZINC001753450699 1202260446 /nfs/dbraw/zinc/26/04/46/1202260446.db2.gz WDIUJTCWSKDKQX-LBPRGKRZSA-N 0 3 312.866 3.053 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NCc2cnc(C)s2)CC1 ZINC001700418440 1202267491 /nfs/dbraw/zinc/26/74/91/1202267491.db2.gz LKVNIJJADIKWKS-OLZOCXBDSA-N 0 3 321.490 3.181 20 30 DGEDHN C/C=C(/C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001753470205 1202267961 /nfs/dbraw/zinc/26/79/61/1202267961.db2.gz OJRDQEBGDAUIFT-ZGKREOHOSA-N 0 3 318.848 3.142 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](CC)NCc1cc(C)ccc1F ZINC001753481996 1202271120 /nfs/dbraw/zinc/27/11/20/1202271120.db2.gz AMCVTKQYNZMKFI-KRWDZBQOSA-N 0 3 318.436 3.312 20 30 DGEDHN C#CCCCC(=O)N(C)CC(C)(C)CNC/C(Cl)=C/Cl ZINC001700440631 1202273462 /nfs/dbraw/zinc/27/34/62/1202273462.db2.gz CXEKGFHZTOAQMS-LCYFTJDESA-N 0 3 319.276 3.183 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2cc(F)ccc2F)CCCC1 ZINC001753501607 1202277269 /nfs/dbraw/zinc/27/72/69/1202277269.db2.gz RFTPNGZKQUTUQU-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN C[C@@H](CNC(=O)CCCC1CC1)N(C)Cc1cccc(C#N)c1 ZINC001700472337 1202286602 /nfs/dbraw/zinc/28/66/02/1202286602.db2.gz ZXDVRRJSVBCRCJ-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C[C@H]2CCCCO2)CCCC1 ZINC001700488060 1202294670 /nfs/dbraw/zinc/29/46/70/1202294670.db2.gz ZAYUTHMAAAPAJQ-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](CCC)C(C)C)cc1 ZINC001753590735 1202294920 /nfs/dbraw/zinc/29/49/20/1202294920.db2.gz MQGINSJNRDUGMR-LJQANCHMSA-N 0 3 314.473 3.488 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@H](CC)C(C)(C)C)cc1 ZINC001753591893 1202295074 /nfs/dbraw/zinc/29/50/74/1202295074.db2.gz RDRDBUZFMBCICL-SFHVURJKSA-N 0 3 314.473 3.488 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001753617339 1202300602 /nfs/dbraw/zinc/30/06/02/1202300602.db2.gz RFYGZOKFCWRKBQ-OAHLLOKOSA-N 0 3 315.461 3.082 20 30 DGEDHN CC(=O)NC1(CNCC#Cc2ccccc2Cl)CCCCC1 ZINC001700526862 1202305401 /nfs/dbraw/zinc/30/54/01/1202305401.db2.gz LWXWLLMHNXHPKF-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cnc(C)s2)CCCC1 ZINC001753663812 1202308729 /nfs/dbraw/zinc/30/87/29/1202308729.db2.gz IIURNZAGJJTOJS-UHFFFAOYSA-N 0 3 321.490 3.326 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001700546975 1202310764 /nfs/dbraw/zinc/31/07/64/1202310764.db2.gz BZOVZBBMXLTLDA-HNNXBMFYSA-N 0 3 300.446 3.144 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H](C)C1CN(CC(=C)C)C1)c1ccccc1 ZINC001700548965 1202311557 /nfs/dbraw/zinc/31/15/57/1202311557.db2.gz FKAPMDMENLUEIU-QFBILLFUSA-N 0 3 312.457 3.359 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C(C)(C)C1 ZINC001700576829 1202318815 /nfs/dbraw/zinc/31/88/15/1202318815.db2.gz SPYKJTBIRLBIMJ-ROUUACIJSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001700640077 1202327155 /nfs/dbraw/zinc/32/71/55/1202327155.db2.gz PKUGGVIMICDCGA-AULYBMBSSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C(C)(C)C(C)(F)F ZINC001700685897 1202333962 /nfs/dbraw/zinc/33/39/62/1202333962.db2.gz RFYBGWHOMZLXCV-LLVKDONJSA-N 0 3 310.816 3.295 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](C)C(C)(F)F ZINC001753795906 1202335207 /nfs/dbraw/zinc/33/52/07/1202335207.db2.gz IBORJQJNOWFHMK-CHWSQXEVSA-N 0 3 322.827 3.391 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1cc(C)ns1 ZINC001753804589 1202336321 /nfs/dbraw/zinc/33/63/21/1202336321.db2.gz IFRBEQBCFIIQPF-XJKSGUPXSA-N 0 3 321.490 3.134 20 30 DGEDHN Cc1ccc(CN[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C)c(Cl)c1 ZINC001753825161 1202342325 /nfs/dbraw/zinc/34/23/25/1202342325.db2.gz CRAQMRBMGFBSSC-BBRMVZONSA-N 0 3 321.852 3.039 20 30 DGEDHN CC/C(C)=C\C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001753829019 1202343000 /nfs/dbraw/zinc/34/30/00/1202343000.db2.gz MKKZMGVAFPRSFO-RBAUTDOXSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@H](CNCc1cncs1)C1CC1 ZINC001700730449 1202344024 /nfs/dbraw/zinc/34/40/24/1202344024.db2.gz LGOLRAXALPEVNI-OAHLLOKOSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(-c2ccco2)s1 ZINC001700773181 1202352496 /nfs/dbraw/zinc/35/24/96/1202352496.db2.gz HZSYQBGHZLIUSP-ZDUSSCGKSA-N 0 3 316.426 3.082 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001700776466 1202353296 /nfs/dbraw/zinc/35/32/96/1202353296.db2.gz QUYYFWHCAQEYRG-CCLIWJKGSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)[C@H]1C ZINC001700818734 1202355380 /nfs/dbraw/zinc/35/53/80/1202355380.db2.gz ZFIJNTORVSLREB-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001700840382 1202357731 /nfs/dbraw/zinc/35/77/31/1202357731.db2.gz GENDMDPMZJVQSE-GJZGRUSLSA-N 0 3 318.848 3.173 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001700840266 1202357757 /nfs/dbraw/zinc/35/77/57/1202357757.db2.gz HIIHGDJSFORAPA-WBVHZDCISA-N 0 3 322.408 3.163 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700857780 1202359946 /nfs/dbraw/zinc/35/99/46/1202359946.db2.gz GTFXWSBFPYCPFH-ICSRJNTNSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCCCCC(=O)N[C@]12CCC[C@@H]1N(C[C@H](F)CC)CC2 ZINC001700861400 1202361166 /nfs/dbraw/zinc/36/11/66/1202361166.db2.gz SHAIPBYNCVDWOW-RYRKJORJSA-N 0 3 308.441 3.041 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cccc(F)c2F)[C@H]1C ZINC001700884862 1202365595 /nfs/dbraw/zinc/36/55/95/1202365595.db2.gz JMLOMFFJPBXLEG-CZUORRHYSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](CNCc2nccs2)C1 ZINC001700891951 1202366670 /nfs/dbraw/zinc/36/66/70/1202366670.db2.gz NUMDRBWJBDVPAG-KGLIPLIRSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2csc(C)n2)C1 ZINC001700901883 1202367781 /nfs/dbraw/zinc/36/77/81/1202367781.db2.gz NBZUTVSVFXMNNI-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001700920442 1202370441 /nfs/dbraw/zinc/37/04/41/1202370441.db2.gz ZVLPAHMUSCJFAB-SLZMIMFISA-N 0 3 310.869 3.149 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1 ZINC001700942129 1202371721 /nfs/dbraw/zinc/37/17/21/1202371721.db2.gz KCCVPVYJGAZKDE-NVXWUHKLSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(C)c1C)C(C)C ZINC001700976241 1202375212 /nfs/dbraw/zinc/37/52/12/1202375212.db2.gz LSLWPCVYOOAOLP-UHFFFAOYSA-N 0 3 300.446 3.109 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001700979072 1202375597 /nfs/dbraw/zinc/37/55/97/1202375597.db2.gz FJKRSPQKDYQRHL-INIZCTEOSA-N 0 3 304.434 3.093 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C/C=C(/C)C=C)CC[C@@H]1C(F)(F)F ZINC001701015375 1202381788 /nfs/dbraw/zinc/38/17/88/1202381788.db2.gz RMJIJZXXAOFXND-PJWHXWNJSA-N 0 3 316.367 3.064 20 30 DGEDHN CC(C)C#CC(=O)N(C)C1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001701018364 1202382098 /nfs/dbraw/zinc/38/20/98/1202382098.db2.gz OBQGJFHWLFZSQC-FHERZECASA-N 0 3 316.420 3.125 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2C=CC=CC=C2)c(F)c1 ZINC001701066185 1202386642 /nfs/dbraw/zinc/38/66/42/1202386642.db2.gz TYOIKAZSXRGYMC-UHFFFAOYSA-N 0 3 312.388 3.016 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001707052806 1202569777 /nfs/dbraw/zinc/56/97/77/1202569777.db2.gz RDRORFCKEIRPEB-KRWDZBQOSA-N 0 3 317.477 3.226 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1coc2ccccc12 ZINC001707053648 1202570010 /nfs/dbraw/zinc/57/00/10/1202570010.db2.gz ITDIOUUTRYHWTP-MRXNPFEDSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CCCCC1 ZINC001707059741 1202570877 /nfs/dbraw/zinc/57/08/77/1202570877.db2.gz UQVFBVPIISLGAT-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCCCC ZINC001707188428 1202575560 /nfs/dbraw/zinc/57/55/60/1202575560.db2.gz RDRIAAHIYDJGHL-BPQIPLTHSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@@H](NCc2cncc(F)c2)C1 ZINC001707235075 1202577354 /nfs/dbraw/zinc/57/73/54/1202577354.db2.gz QSNXZOYBTJZXBC-QGZVFWFLSA-N 0 3 319.424 3.048 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1c2ccccc2oc1CC ZINC001707427788 1202584233 /nfs/dbraw/zinc/58/42/33/1202584233.db2.gz UMWRRESHVUAUMA-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001707433699 1202584478 /nfs/dbraw/zinc/58/44/78/1202584478.db2.gz CIVGRVPIEIIRAD-KGLIPLIRSA-N 0 3 310.825 3.313 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001707437408 1202584724 /nfs/dbraw/zinc/58/47/24/1202584724.db2.gz HOWSMGNCPLBWDF-KGLIPLIRSA-N 0 3 316.848 3.238 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)CCCCCC)CC1 ZINC001713097725 1202616888 /nfs/dbraw/zinc/61/68/88/1202616888.db2.gz YMDREKVREYVRJT-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](CCC)OC)CC1 ZINC001713100799 1202617231 /nfs/dbraw/zinc/61/72/31/1202617231.db2.gz HTMAMDBMGKGQKD-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H](CN(C)C[C@@H](F)CC)C1 ZINC001713133278 1202620445 /nfs/dbraw/zinc/62/04/45/1202620445.db2.gz QFBWRBXZXCOFRL-IRXDYDNUSA-N 0 3 310.457 3.099 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H](CN(C)C[C@@H](F)CC)C1 ZINC001713133279 1202620532 /nfs/dbraw/zinc/62/05/32/1202620532.db2.gz QFBWRBXZXCOFRL-SJORKVTESA-N 0 3 310.457 3.099 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001713141976 1202621495 /nfs/dbraw/zinc/62/14/95/1202621495.db2.gz QDUBROKEKRWFKK-KURKYZTESA-N 0 3 302.462 3.374 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001713160872 1202622888 /nfs/dbraw/zinc/62/28/88/1202622888.db2.gz AKYVVFOKUMYRAW-SHTZXODSSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001713160909 1202622969 /nfs/dbraw/zinc/62/29/69/1202622969.db2.gz BOHXUZFTVPIIHP-WKILWMFISA-N 0 3 304.409 3.227 20 30 DGEDHN CC[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713168068 1202623517 /nfs/dbraw/zinc/62/35/17/1202623517.db2.gz VHDKNBWJSBRINN-MUGJNUQGSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001713170289 1202623734 /nfs/dbraw/zinc/62/37/34/1202623734.db2.gz WGXHUGKCYJUUDV-HDJSIYSDSA-N 0 3 321.852 3.074 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCCCC)C1 ZINC001713184377 1202624945 /nfs/dbraw/zinc/62/49/45/1202624945.db2.gz GRQAUCYWQCJNLW-ROUUACIJSA-N 0 3 304.478 3.293 20 30 DGEDHN CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001713201006 1202626296 /nfs/dbraw/zinc/62/62/96/1202626296.db2.gz GIVUVLPVRQFCOP-QRVBRYPASA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCc2cccs2)C1 ZINC001713207599 1202626796 /nfs/dbraw/zinc/62/67/96/1202626796.db2.gz UXAYAUSKROIDAF-BETUJISGSA-N 0 3 312.866 3.060 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)CCC2CCCCCC2)C1 ZINC001713216395 1202628011 /nfs/dbraw/zinc/62/80/11/1202628011.db2.gz FVIURHYLLIIGRY-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](C)NCc1ccc(F)cc1Cl ZINC001713407800 1202646610 /nfs/dbraw/zinc/64/66/10/1202646610.db2.gz RUKYGIIMGMIKTK-CYBMUJFWSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001713412850 1202647143 /nfs/dbraw/zinc/64/71/43/1202647143.db2.gz YPYJWAOVEJZSRH-RHSMWYFYSA-N 0 3 320.864 3.417 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](C)NCc1cc(O)ccc1Cl ZINC001713413984 1202647206 /nfs/dbraw/zinc/64/72/06/1202647206.db2.gz LFUSCEZVXKJCDV-GFCCVEGCSA-N 0 3 324.852 3.242 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(F)ccc(C)c1F ZINC001713416470 1202647560 /nfs/dbraw/zinc/64/75/60/1202647560.db2.gz WDVUSKFZBKBWBD-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)c(F)c1F ZINC001713417311 1202647578 /nfs/dbraw/zinc/64/75/78/1202647578.db2.gz NCKGOECMQAAFSL-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001713419146 1202647730 /nfs/dbraw/zinc/64/77/30/1202647730.db2.gz UNSLXFSTGGOOJW-RHSMWYFYSA-N 0 3 320.864 3.028 20 30 DGEDHN C=CCCC(=O)NCCC[C@H]1CCCN1Cc1cncc(F)c1 ZINC001713427147 1202648708 /nfs/dbraw/zinc/64/87/08/1202648708.db2.gz BKKAKJXGTJHTMS-KRWDZBQOSA-N 0 3 319.424 3.048 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)Cc1ccccc1 ZINC001713434726 1202649509 /nfs/dbraw/zinc/64/95/09/1202649509.db2.gz HYWMZZJHZRMFAY-QGZVFWFLSA-N 0 3 320.864 3.342 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001713462741 1202653166 /nfs/dbraw/zinc/65/31/66/1202653166.db2.gz CZZKXIZXTKVHOM-QGZVFWFLSA-N 0 3 318.436 3.463 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC001713462788 1202653299 /nfs/dbraw/zinc/65/32/99/1202653299.db2.gz FLNQICXRHJWPFT-OAHLLOKOSA-N 0 3 324.399 3.230 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001713516192 1202663534 /nfs/dbraw/zinc/66/35/34/1202663534.db2.gz IYPSMUUTJSYWDJ-YLJYHZDGSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001713536540 1202666345 /nfs/dbraw/zinc/66/63/45/1202666345.db2.gz YYDFYWUQIRQLQV-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCN(CCNC(=O)CCc1cccc(Cl)c1)C1CC1 ZINC001713558982 1202670577 /nfs/dbraw/zinc/67/05/77/1202670577.db2.gz AWALQVAFUYLHCX-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN CC#CCCCC(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001713560625 1202670614 /nfs/dbraw/zinc/67/06/14/1202670614.db2.gz OKXXXRABRVUOQA-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)C=C1CCC1 ZINC001713687946 1202677160 /nfs/dbraw/zinc/67/71/60/1202677160.db2.gz YLGIIXQPSPYPIJ-UHFFFAOYSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC12CC2)c1ccc(C(C)C)cc1 ZINC001713698671 1202678409 /nfs/dbraw/zinc/67/84/09/1202678409.db2.gz QPNVUNMHQKSZPW-RBUKOAKNSA-N 0 3 324.468 3.380 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccccc2CC)C1 ZINC001713720151 1202681251 /nfs/dbraw/zinc/68/12/51/1202681251.db2.gz PACSJESVCPJXPM-SFHVURJKSA-N 0 3 312.457 3.199 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H](F)CC1CCCCC1)C1CC1 ZINC001713774928 1202689201 /nfs/dbraw/zinc/68/92/01/1202689201.db2.gz YTAPIDTUUUNJBD-SFHVURJKSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001713781638 1202689777 /nfs/dbraw/zinc/68/97/77/1202689777.db2.gz BRCVJCHACHUZRV-MRXNPFEDSA-N 0 3 319.449 3.232 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2CC)C1 ZINC001713788663 1202690697 /nfs/dbraw/zinc/69/06/97/1202690697.db2.gz ICKSBPDCRSJAPL-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccccn2)C1 ZINC001713792889 1202691297 /nfs/dbraw/zinc/69/12/97/1202691297.db2.gz PRJKDDJIOIRQRE-INIZCTEOSA-N 0 3 303.450 3.246 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC001713851420 1202695732 /nfs/dbraw/zinc/69/57/32/1202695732.db2.gz YRSCDZSSJVMTRP-HKUYNNGSSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cccc(OC)c2)CC1 ZINC001713858323 1202696520 /nfs/dbraw/zinc/69/65/20/1202696520.db2.gz KGDQFTXQEJEFND-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN CC(C)c1ccc([C@H](C)N2CC(CNC(=O)[C@@H](C)C#N)C2)cc1 ZINC001713893571 1202700003 /nfs/dbraw/zinc/70/00/03/1202700003.db2.gz JADWVYBJUADELP-GJZGRUSLSA-N 0 3 313.445 3.079 20 30 DGEDHN CC(C)c1ccc([C@@H](C)N2CC(CNC(=O)[C@@H](C)C#N)C2)cc1 ZINC001713893573 1202700091 /nfs/dbraw/zinc/70/00/91/1202700091.db2.gz JADWVYBJUADELP-LSDHHAIUSA-N 0 3 313.445 3.079 20 30 DGEDHN C#CCCCCC(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001713898685 1202700584 /nfs/dbraw/zinc/70/05/84/1202700584.db2.gz FGRKQBMGKQEWNN-UHFFFAOYSA-N 0 3 324.468 3.306 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC001713903571 1202700966 /nfs/dbraw/zinc/70/09/66/1202700966.db2.gz YQTSSDGECABEMD-CALCHBBNSA-N 0 3 302.393 3.081 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccs1 ZINC001713910505 1202701317 /nfs/dbraw/zinc/70/13/17/1202701317.db2.gz GMFKGEVBKCPUTO-HRCADAONSA-N 0 3 318.486 3.493 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001713909187 1202701469 /nfs/dbraw/zinc/70/14/69/1202701469.db2.gz BARQPYVBVTYPIH-FJIDUMEYSA-N 0 3 302.462 3.064 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001713998803 1202721256 /nfs/dbraw/zinc/72/12/56/1202721256.db2.gz SBHZHMQKIBYTQV-GOSISDBHSA-N 0 3 323.440 3.004 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001714039960 1202745090 /nfs/dbraw/zinc/74/50/90/1202745090.db2.gz KZHQYEHWLKOCHH-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001714038609 1202745254 /nfs/dbraw/zinc/74/52/54/1202745254.db2.gz AEEQPLNYQUKVCK-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001714044713 1202747523 /nfs/dbraw/zinc/74/75/23/1202747523.db2.gz BJIJUVPMILILPC-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001714075265 1202763355 /nfs/dbraw/zinc/76/33/55/1202763355.db2.gz LEIHWAAYIMZABO-CYBMUJFWSA-N 0 3 319.474 3.206 20 30 DGEDHN CCC(=O)NC1(CNCC#Cc2ccc(Cl)cc2)CCCC1 ZINC001714126142 1202792572 /nfs/dbraw/zinc/79/25/72/1202792572.db2.gz JDLXQTVQSSCHOH-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001714133552 1202794817 /nfs/dbraw/zinc/79/48/17/1202794817.db2.gz DPQNQUKWPJNJIZ-UHFFFAOYSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCC1(C(=O)N2CCCC[C@@H]2CNCCF)CCCCC1 ZINC001714142343 1202799038 /nfs/dbraw/zinc/79/90/38/1202799038.db2.gz SHVBSSIPSMDDDN-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC/C=C/c2ccccc2)C1 ZINC001714153440 1202807140 /nfs/dbraw/zinc/80/71/40/1202807140.db2.gz HVDSAEYSIQCUTB-HSBQTJJHSA-N 0 3 324.468 3.330 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001714155380 1202808075 /nfs/dbraw/zinc/80/80/75/1202808075.db2.gz HGEFHEWZNHFTMC-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001714155381 1202808819 /nfs/dbraw/zinc/80/88/19/1202808819.db2.gz HGEFHEWZNHFTMC-IRXDYDNUSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CCC(=O)N[C@@](C)(CNCc1oc(C)nc1C)C1CC1 ZINC001714165789 1202812470 /nfs/dbraw/zinc/81/24/70/1202812470.db2.gz XJYMZGSKALZQGO-SFHVURJKSA-N 0 3 319.449 3.022 20 30 DGEDHN C#CCCCC(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001714188416 1202823424 /nfs/dbraw/zinc/82/34/24/1202823424.db2.gz YIORZEUNHPAKEH-ZRDIBKRKSA-N 0 3 317.260 3.126 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CSCCC)C1 ZINC001714199451 1202828792 /nfs/dbraw/zinc/82/87/92/1202828792.db2.gz RMHNZCWRYBSOHN-AWEZNQCLSA-N 0 3 318.914 3.100 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001714238747 1202843960 /nfs/dbraw/zinc/84/39/60/1202843960.db2.gz UHBFSKYLCJDAIA-CQSZACIVSA-N 0 3 306.425 3.331 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001714311548 1202877013 /nfs/dbraw/zinc/87/70/13/1202877013.db2.gz MQZNMWOQZNKMCI-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2nc(C)sc2C)C1 ZINC001714393516 1202909514 /nfs/dbraw/zinc/90/95/14/1202909514.db2.gz KHAFUVKYHNOPDA-GJZGRUSLSA-N 0 3 321.490 3.243 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](CC)c2ccccc2)C1 ZINC001714448097 1202940221 /nfs/dbraw/zinc/94/02/21/1202940221.db2.gz MRBYMOCKVYEIOI-PKOBYXMFSA-N 0 3 312.457 3.126 20 30 DGEDHN CCC[C@H](C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001714459840 1202948389 /nfs/dbraw/zinc/94/83/89/1202948389.db2.gz JJPJASFXHBUUCW-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001714486780 1202957424 /nfs/dbraw/zinc/95/74/24/1202957424.db2.gz PJEKLUDAYQXELF-WBMJQRKESA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@H]1C=CCC1 ZINC001714506944 1202970022 /nfs/dbraw/zinc/97/00/22/1202970022.db2.gz ZSXIWBOBHJMCHI-HOTGVXAUSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)/C=C/c1ccc[nH]1 ZINC001714511209 1202973223 /nfs/dbraw/zinc/97/32/23/1202973223.db2.gz JEGYIPKPABAUDC-ROJDOSBLSA-N 0 3 321.852 3.141 20 30 DGEDHN CC(C)=CC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001714533672 1202983702 /nfs/dbraw/zinc/98/37/02/1202983702.db2.gz WXEYCVDXJOJFOK-HNNXBMFYSA-N 0 3 318.848 3.094 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccccc1CC ZINC001714557962 1202999998 /nfs/dbraw/zinc/99/99/98/1202999998.db2.gz BUPFAHQPZZGWHU-IBGZPJMESA-N 0 3 302.462 3.399 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001714563467 1203006120 /nfs/dbraw/zinc/00/61/20/1203006120.db2.gz HKKXWSSVCUZNAB-JKSUJKDBSA-N 0 3 306.837 3.068 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)Cc1ccc(C#N)cc1 ZINC001714589946 1203029519 /nfs/dbraw/zinc/02/95/19/1203029519.db2.gz QLJABKMIAPFUOK-IBGZPJMESA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCN(CC)CCNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001714597545 1203037849 /nfs/dbraw/zinc/03/78/49/1203037849.db2.gz OPJBHTPXVJKOOO-AWEZNQCLSA-N 0 3 300.402 3.160 20 30 DGEDHN C=CCN(CC)CCNC(=O)CC[C@H]1CCc2ccccc21 ZINC001714600534 1203040221 /nfs/dbraw/zinc/04/02/21/1203040221.db2.gz WAFISDIERWHWRQ-QGZVFWFLSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1Cc1cccc(OC)c1 ZINC001714613483 1203049729 /nfs/dbraw/zinc/04/97/29/1203049729.db2.gz TVAGFPGMHHZXAF-KRWDZBQOSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCc1ccc(C)s1 ZINC001714628009 1203061499 /nfs/dbraw/zinc/06/14/99/1203061499.db2.gz WAGOQDJFWPZNIN-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc2c1CCCC2 ZINC001714653645 1203078190 /nfs/dbraw/zinc/07/81/90/1203078190.db2.gz OVMSMOAGLJWOJO-UHFFFAOYSA-N 0 3 312.457 3.031 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001714658291 1203081985 /nfs/dbraw/zinc/08/19/85/1203081985.db2.gz DGRIJEDQFVXIER-UHFFFAOYSA-N 0 3 310.441 3.111 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CCC)Cc2ccsc2)C1 ZINC001714659650 1203083585 /nfs/dbraw/zinc/08/35/85/1203083585.db2.gz KCAXXNYMYMMATK-UHFFFAOYSA-N 0 3 306.475 3.433 20 30 DGEDHN C=CCN(CCNC(=O)C[C@@H](C)c1ccccc1F)C1CC1 ZINC001714674884 1203096585 /nfs/dbraw/zinc/09/65/85/1203096585.db2.gz YALOCUIKXKJZJN-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001714753978 1203118386 /nfs/dbraw/zinc/11/83/86/1203118386.db2.gz WPJWYIOTGNZNAS-GOSISDBHSA-N 0 3 306.425 3.284 20 30 DGEDHN C[C@H](CNCC#Cc1cccc(Cl)c1)N(C)C(=O)C(C)(C)C ZINC001714828911 1203142254 /nfs/dbraw/zinc/14/22/54/1203142254.db2.gz AJFRMPHGGZCBHL-CQSZACIVSA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccccc1F)c1ccccc1 ZINC001714844994 1203149162 /nfs/dbraw/zinc/14/91/62/1203149162.db2.gz HJYSJKBUUUWUPU-SFHVURJKSA-N 0 3 312.388 3.001 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C ZINC001714845124 1203149389 /nfs/dbraw/zinc/14/93/89/1203149389.db2.gz JNPKELRMEBJCKJ-BGYRXZFFSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(Cc2cncs2)C1 ZINC001714876083 1203171852 /nfs/dbraw/zinc/17/18/52/1203171852.db2.gz UICTXGWVQHLTCF-AWEZNQCLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN(CC[C@H]2CCCC2(F)F)C1 ZINC001714969812 1203220248 /nfs/dbraw/zinc/22/02/48/1203220248.db2.gz GZVZMBDRCGMAFO-CQSZACIVSA-N 0 3 314.420 3.072 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2nc(C)sc2C)[C@@H](C)C1 ZINC001714996351 1203229810 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CC#CCNCc1ccc(CNC(=O)[C@H]2CC[C@H](C)CC2)cc1 ZINC001715194762 1203293335 /nfs/dbraw/zinc/29/33/35/1203293335.db2.gz AEQNSHYYESAONM-RUCARUNLSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](F)c2ccccc2)cc1 ZINC001715195424 1203293346 /nfs/dbraw/zinc/29/33/46/1203293346.db2.gz DXNWCDUNFVIOTL-IBGZPJMESA-N 0 3 324.399 3.127 20 30 DGEDHN O=C(CC1CCC1)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001715294928 1203309023 /nfs/dbraw/zinc/30/90/23/1203309023.db2.gz IEXFNXVOUKBIRD-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H](C)C(F)(F)F)CC2 ZINC001715315527 1203313935 /nfs/dbraw/zinc/31/39/35/1203313935.db2.gz OEPGXCHFBSVSLZ-CYBMUJFWSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl)CC1 ZINC001715354582 1203322164 /nfs/dbraw/zinc/32/21/64/1203322164.db2.gz AJIOGIJSIFRYTA-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccncc1C ZINC001715438743 1203341422 /nfs/dbraw/zinc/34/14/22/1203341422.db2.gz WSDIMCHLDMLIQB-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccsc1Cl)C(C)C ZINC001715508123 1203355433 /nfs/dbraw/zinc/35/54/33/1203355433.db2.gz ZABJPQZGTGDMHP-NSHDSACASA-N 0 3 321.273 3.498 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC001715540261 1203367966 /nfs/dbraw/zinc/36/79/66/1203367966.db2.gz VDSAWAQBGFDDHJ-INIZCTEOSA-N 0 3 300.446 3.227 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCCC(F)(F)F)C(C)C ZINC001715663066 1203378013 /nfs/dbraw/zinc/37/80/13/1203378013.db2.gz UBCWQFYGWNZIOI-NSHDSACASA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CCc1cccc(C)c1 ZINC001715669442 1203379194 /nfs/dbraw/zinc/37/91/94/1203379194.db2.gz IYAIZNWUFKRUBQ-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CN[C@@H](C)c1ccc(Cl)cc1 ZINC001715812323 1203394510 /nfs/dbraw/zinc/39/45/10/1203394510.db2.gz UNJUQNNFQLOKHU-LFAOLKIESA-N 0 3 318.848 3.467 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CN[C@@H](C)c1ccc(Cl)cc1 ZINC001715812325 1203394673 /nfs/dbraw/zinc/39/46/73/1203394673.db2.gz UNJUQNNFQLOKHU-XHPSBEMXSA-N 0 3 318.848 3.467 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)CCc1ccc(C(C)C)cc1 ZINC001715840467 1203396806 /nfs/dbraw/zinc/39/68/06/1203396806.db2.gz GHSISALZVYJQEJ-SREVYHEPSA-N 0 3 312.457 3.028 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)CC(C)(C)C1CCCCC1 ZINC001715895046 1203401789 /nfs/dbraw/zinc/40/17/89/1203401789.db2.gz LFBFITBPLSQFNK-KTKRTIGZSA-N 0 3 304.478 3.268 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1cccc(C(C)C)n1 ZINC001715930979 1203405961 /nfs/dbraw/zinc/40/59/61/1203405961.db2.gz OTUXNRXOBCADFS-OAHLLOKOSA-N 0 3 303.450 3.156 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001715945565 1203408485 /nfs/dbraw/zinc/40/84/85/1203408485.db2.gz RXWXERAMZOFBHI-OAHLLOKOSA-N 0 3 320.864 3.436 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001715951804 1203409903 /nfs/dbraw/zinc/40/99/03/1203409903.db2.gz DHGWZQKUNUHPKF-OAHLLOKOSA-N 0 3 318.436 3.098 20 30 DGEDHN Cc1ccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)cc1C ZINC001715957065 1203410744 /nfs/dbraw/zinc/41/07/44/1203410744.db2.gz FMBDXHUCHCZQSU-GOSISDBHSA-N 0 3 320.436 3.063 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)CCOc1ccc(C)cc1 ZINC001716032780 1203429863 /nfs/dbraw/zinc/42/98/63/1203429863.db2.gz BQDDNXMNRVZCCB-MRXNPFEDSA-N 0 3 318.461 3.023 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001716047479 1203435127 /nfs/dbraw/zinc/43/51/27/1203435127.db2.gz VBRPTTRGDBKDPW-VBNZEHGJSA-N 0 3 306.837 3.066 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1cscn1 ZINC001716066518 1203438101 /nfs/dbraw/zinc/43/81/01/1203438101.db2.gz HAGPDIFVPYQYEI-ZFWWWQNUSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1cscn1 ZINC001716066516 1203438229 /nfs/dbraw/zinc/43/82/29/1203438229.db2.gz HAGPDIFVPYQYEI-UKRRQHHQSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN[C@H](CC)c1ccc(F)cc1F ZINC001716389568 1203464944 /nfs/dbraw/zinc/46/49/44/1203464944.db2.gz QADHHLGPSUQCQD-MLGOLLRUSA-N 0 3 310.388 3.476 20 30 DGEDHN CCC(CC)(CC)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001716417610 1203469703 /nfs/dbraw/zinc/46/97/03/1203469703.db2.gz XDWDWIBVTPIWBP-QGZVFWFLSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CC(C)(C)C(F)(F)F ZINC001716668826 1203520290 /nfs/dbraw/zinc/52/02/90/1203520290.db2.gz BSRZXPZWMBUPQX-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001716473072 1203482116 /nfs/dbraw/zinc/48/21/16/1203482116.db2.gz NGNKHMMNDNAWMX-DYVFJYSZSA-N 0 3 304.409 3.216 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCCc1cc(C)sc1C ZINC001716507885 1203496105 /nfs/dbraw/zinc/49/61/05/1203496105.db2.gz HMGGHWYYOBSZRP-CYBMUJFWSA-N 0 3 308.491 3.310 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001716619225 1203507080 /nfs/dbraw/zinc/50/70/80/1203507080.db2.gz ROIRYTTVIBMAPE-FXAWDEMLSA-N 0 3 324.468 3.125 20 30 DGEDHN CC1(CCC(=O)N[C@H](CNCC#Cc2ccccc2)C2CC2)CC1 ZINC001716625022 1203508336 /nfs/dbraw/zinc/50/83/36/1203508336.db2.gz JTWHSFPKYSVXRX-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC001716652007 1203513891 /nfs/dbraw/zinc/51/38/91/1203513891.db2.gz GWAZUMNKZIUKDS-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1ccc(F)cc1F ZINC001716666442 1203519176 /nfs/dbraw/zinc/51/91/76/1203519176.db2.gz GNKBWLFPKRSOQF-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001716670090 1203521034 /nfs/dbraw/zinc/52/10/34/1203521034.db2.gz AWVFIGZDFGUODP-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCN1CCCC)c1ccccc1 ZINC001716670672 1203521073 /nfs/dbraw/zinc/52/10/73/1203521073.db2.gz HBERVVWNFIKSIS-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1cccc(F)c1F ZINC001716672995 1203521462 /nfs/dbraw/zinc/52/14/62/1203521462.db2.gz JPTPZSCKWPNUBA-HNNXBMFYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(CCc2ccccc2)CC1 ZINC001716673719 1203522293 /nfs/dbraw/zinc/52/22/93/1203522293.db2.gz YUHVBJOGLTURRT-GOSISDBHSA-N 0 3 312.457 3.166 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001716683055 1203524091 /nfs/dbraw/zinc/52/40/91/1203524091.db2.gz REQVMUYKYMGLEF-KRWDZBQOSA-N 0 3 316.420 3.408 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001716691351 1203525912 /nfs/dbraw/zinc/52/59/12/1203525912.db2.gz IFFNYSHQCVTTQE-CQSZACIVSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001716693579 1203526769 /nfs/dbraw/zinc/52/67/69/1203526769.db2.gz WQSRHWMGGGTGGB-INIZCTEOSA-N 0 3 306.475 3.397 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(CC#CC)C1 ZINC001716706375 1203529409 /nfs/dbraw/zinc/52/94/09/1203529409.db2.gz OFWYWIXKBWGHKQ-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001716723916 1203532701 /nfs/dbraw/zinc/53/27/01/1203532701.db2.gz UGYZXHNHBSRCOZ-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@](C)(CC)CCC)C2)C1 ZINC001716734448 1203533969 /nfs/dbraw/zinc/53/39/69/1203533969.db2.gz BKESBBRNSGFKTO-MOPGFXCFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC001716799841 1203544890 /nfs/dbraw/zinc/54/48/90/1203544890.db2.gz PTRNGXQKKOMBRZ-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C#CCN(C(=O)C1CC(C(C)(C)C)C1)C1CCN(CC=C)CC1 ZINC001716812416 1203546108 /nfs/dbraw/zinc/54/61/08/1203546108.db2.gz ICTDVBOWVVBSFP-UHFFFAOYSA-N 0 3 316.489 3.171 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001716847309 1203554766 /nfs/dbraw/zinc/55/47/66/1203554766.db2.gz IJNUXEHXCVBADY-QFBILLFUSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(C)cccc2F)C1 ZINC001716903037 1203566724 /nfs/dbraw/zinc/56/67/24/1203566724.db2.gz VLDONRRUEGUAKQ-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001716910698 1203567732 /nfs/dbraw/zinc/56/77/32/1203567732.db2.gz IYYMYHMOIDBQDW-KGLIPLIRSA-N 0 3 320.399 3.164 20 30 DGEDHN CC[C@@H](F)CNCCN(Cc1ccccc1)C(=O)C#CC(C)C ZINC001717004884 1203576481 /nfs/dbraw/zinc/57/64/81/1203576481.db2.gz DVPCWFFMBNVYAE-GOSISDBHSA-N 0 3 318.436 3.012 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1(CC=C)CCCC1 ZINC001717006153 1203576858 /nfs/dbraw/zinc/57/68/58/1203576858.db2.gz DBIKANCZEYSNOO-UHFFFAOYSA-N 0 3 324.468 3.375 20 30 DGEDHN C#CCC1(C(=O)N2CCC[C@H]3[C@H]2CCN3CC=C)CCCCC1 ZINC001717038276 1203580269 /nfs/dbraw/zinc/58/02/69/1203580269.db2.gz LITYYQLCTNAAKE-ZWKOTPCHSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001717113644 1203585942 /nfs/dbraw/zinc/58/59/42/1203585942.db2.gz NRKKCBRIWZABOO-AHRSYUTCSA-N 0 3 324.468 3.194 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)C2CCC2)cc1 ZINC001717115723 1203586489 /nfs/dbraw/zinc/58/64/89/1203586489.db2.gz NLWVNWQPXBCDDQ-HZPDHXFCSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccc(C)cc1 ZINC001717117687 1203587294 /nfs/dbraw/zinc/58/72/94/1203587294.db2.gz ZYCRSFPAEKPMOU-UHFFFAOYSA-N 0 3 320.436 3.380 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001717200878 1203599023 /nfs/dbraw/zinc/59/90/23/1203599023.db2.gz OZNQTRYXUHJMFY-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001717247706 1203609920 /nfs/dbraw/zinc/60/99/20/1203609920.db2.gz NJXLVFOFTMOJGV-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCC2CCCC2)C(C)(C)C1 ZINC001717305232 1203615867 /nfs/dbraw/zinc/61/58/67/1203615867.db2.gz FUTTZODFZVNTBF-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)CCCCCC)CC2)C1 ZINC001717346344 1203623442 /nfs/dbraw/zinc/62/34/42/1203623442.db2.gz CSXPURRRTUTTOC-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2CC(C)C2)CC1 ZINC001717355626 1203623676 /nfs/dbraw/zinc/62/36/76/1203623676.db2.gz TZLCSYLRCWSQDL-UHFFFAOYSA-N 0 3 312.885 3.346 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)c1ccco1 ZINC001717361418 1203625302 /nfs/dbraw/zinc/62/53/02/1203625302.db2.gz QZRLKTOFQBUQLV-WIBUTAKZSA-N 0 3 324.424 3.331 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C(C)=C1CCCC1 ZINC001717361766 1203625311 /nfs/dbraw/zinc/62/53/11/1203625311.db2.gz CFNAZEAHAOSQJS-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C(F)F ZINC001717361537 1203625384 /nfs/dbraw/zinc/62/53/84/1203625384.db2.gz WLBWIDANDZSATO-HUUCEWRRSA-N 0 3 322.399 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(C)cc(F)cc1C ZINC001717369466 1203627578 /nfs/dbraw/zinc/62/75/78/1203627578.db2.gz MIZFAFGIKAJNGS-INIZCTEOSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3c(s2)CCC3)C1 ZINC001717392622 1203633872 /nfs/dbraw/zinc/63/38/72/1203633872.db2.gz GNZPUEZJZAEAAP-UHFFFAOYSA-N 0 3 324.877 3.087 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397378 1203635767 /nfs/dbraw/zinc/63/57/67/1203635767.db2.gz RJHOGTMTMKPSEV-LSDHHAIUSA-N 0 3 318.848 3.141 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001717408003 1203638284 /nfs/dbraw/zinc/63/82/84/1203638284.db2.gz FCEBXVKBEYZDGU-IRXDYDNUSA-N 0 3 314.473 3.203 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)C12CCC(CC1)C2 ZINC001717414212 1203639252 /nfs/dbraw/zinc/63/92/52/1203639252.db2.gz CHZIWUHDNXBSAL-BFIFELMSSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNCc1cnc(C)o1 ZINC001717456675 1203648154 /nfs/dbraw/zinc/64/81/54/1203648154.db2.gz GWLWBJKHLSRLHK-UHFFFAOYSA-N 0 3 321.465 3.160 20 30 DGEDHN C=C(C)C[NH2+][C@@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001717511591 1203668290 /nfs/dbraw/zinc/66/82/90/1203668290.db2.gz IHXQHTMOZIXSDL-INIZCTEOSA-N 0 3 304.434 3.045 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)C1CC=CC1 ZINC001717529682 1203673020 /nfs/dbraw/zinc/67/30/20/1203673020.db2.gz YVXUKPMXTSJYCB-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717557934 1203681330 /nfs/dbraw/zinc/68/13/30/1203681330.db2.gz SDYFJKZILKLJNJ-OLZOCXBDSA-N 0 3 314.420 3.071 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001717559398 1203681968 /nfs/dbraw/zinc/68/19/68/1203681968.db2.gz QVURNAFOSLIERV-SJORKVTESA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](C)CCCCC)C(C)(C)C1 ZINC001717585972 1203686495 /nfs/dbraw/zinc/68/64/95/1203686495.db2.gz BAMFGKCMMBKTMJ-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C(C)(C)C1 ZINC001717586190 1203687438 /nfs/dbraw/zinc/68/74/38/1203687438.db2.gz GNQKFECVEAFCCL-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C(C)(C)C1 ZINC001717588535 1203687908 /nfs/dbraw/zinc/68/79/08/1203687908.db2.gz CEQNIRGGVHDOFA-UCFODXPJSA-N 0 3 324.468 3.248 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3(CC)CC3)C[C@@H]2C1 ZINC001717623870 1203690614 /nfs/dbraw/zinc/69/06/14/1203690614.db2.gz OALKWVCTBCDYIH-RRFJBIMHSA-N 0 3 310.869 3.146 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H](CC)CCCC)C[C@]2(C)C1 ZINC001717631681 1203691652 /nfs/dbraw/zinc/69/16/52/1203691652.db2.gz ZULQFVHOVRJVGF-RLLQIKCJSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C1CCC(C(=O)N2CCC(N(C)C/C=C\Cl)CC2)CC1 ZINC001717703964 1203702748 /nfs/dbraw/zinc/70/27/48/1203702748.db2.gz PMFSAQBQPJSBML-KMKOMSMNSA-N 0 3 310.869 3.408 20 30 DGEDHN CCC1(C(=O)N(C)C[C@@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001717737747 1203707146 /nfs/dbraw/zinc/70/71/46/1203707146.db2.gz IDSGBXBDKHDSFX-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN CCCC(=O)N1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001717786763 1203711955 /nfs/dbraw/zinc/71/19/55/1203711955.db2.gz VLKKUAYBKNKCNS-YOEHRIQHSA-N 0 3 318.848 3.071 20 30 DGEDHN C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001717788786 1203712319 /nfs/dbraw/zinc/71/23/19/1203712319.db2.gz XLKGFXIGEJESNU-WBVHZDCISA-N 0 3 316.445 3.331 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001717810183 1203715226 /nfs/dbraw/zinc/71/52/26/1203715226.db2.gz UBKOOCVKCMWHOE-HOCLYGCPSA-N 0 3 304.459 3.021 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001717825467 1203716675 /nfs/dbraw/zinc/71/66/75/1203716675.db2.gz GNEYCLVGTHDCCD-HNAYVOBHSA-N 0 3 322.408 3.163 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@@H]1C ZINC001717855517 1203722867 /nfs/dbraw/zinc/72/28/67/1203722867.db2.gz HPWVFMUVVRYWLM-UONOGXRCSA-N 0 3 314.420 3.357 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cccnc2)C(C)(C)C1 ZINC001717895595 1203729464 /nfs/dbraw/zinc/72/94/64/1203729464.db2.gz PDKVSWVXORRBMY-INIZCTEOSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001717898871 1203729750 /nfs/dbraw/zinc/72/97/50/1203729750.db2.gz FSJFYFBTPWLOIB-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(CCC)CCC2)CC1 ZINC001717983379 1203740127 /nfs/dbraw/zinc/74/01/27/1203740127.db2.gz BWOWCFYGIVUXJD-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001717984929 1203740234 /nfs/dbraw/zinc/74/02/34/1203740234.db2.gz RRWJISZEWLJBAT-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001717995217 1203741844 /nfs/dbraw/zinc/74/18/44/1203741844.db2.gz JBUOMOCUTJUVRI-QHGAOEGBSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@]2(C)C=CCC2)c(F)c1 ZINC001718037413 1203745854 /nfs/dbraw/zinc/74/58/54/1203745854.db2.gz ZFIZEXRKMQKXCK-SFHVURJKSA-N 0 3 302.393 3.074 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001723430023 1203970810 /nfs/dbraw/zinc/97/08/10/1203970810.db2.gz UPGUSZIIZBODIB-FUHWJXTLSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CCCc1cccc(C)c1 ZINC001723434127 1203971728 /nfs/dbraw/zinc/97/17/28/1203971728.db2.gz VSQFPJNOFFIIDF-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001723447254 1203973657 /nfs/dbraw/zinc/97/36/57/1203973657.db2.gz SGOSFMIDKFSMKJ-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001723456746 1203974444 /nfs/dbraw/zinc/97/44/44/1203974444.db2.gz DOPVOMRRWKEJOV-BDXSIMOUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001723472290 1203976891 /nfs/dbraw/zinc/97/68/91/1203976891.db2.gz FRJWNXUSAACGSY-NVXWUHKLSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001723481241 1203977301 /nfs/dbraw/zinc/97/73/01/1203977301.db2.gz GIRDZGXYQWAOBI-FUHWJXTLSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001723474201 1203977665 /nfs/dbraw/zinc/97/76/65/1203977665.db2.gz UUHHWZAJXCRBOO-RHSMWYFYSA-N 0 3 313.445 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3cccc(CC)c3)CC2)C1 ZINC001723554355 1203982369 /nfs/dbraw/zinc/98/23/69/1203982369.db2.gz QQXTWTYHXRQOKZ-UHFFFAOYSA-N 0 3 312.457 3.344 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001723670005 1203988195 /nfs/dbraw/zinc/98/81/95/1203988195.db2.gz ZXBPYLUDVJDODK-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001723722724 1203990304 /nfs/dbraw/zinc/99/03/04/1203990304.db2.gz XEUXNVPFGAOWOI-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN(C(=O)C1CCC2(CC2)CC1)C1CCN(CC=C)CC1 ZINC001724050540 1204002644 /nfs/dbraw/zinc/00/26/44/1204002644.db2.gz YTWWLXRNXYSIKK-UHFFFAOYSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001724114646 1204005861 /nfs/dbraw/zinc/00/58/61/1204005861.db2.gz JJEKPSQZJNWOLV-XHSDSOJGSA-N 0 3 310.457 3.402 20 30 DGEDHN CC[C@H](F)CN1CC[C@@]2(C1)CCCCN(C(=O)C#CC(C)C)C2 ZINC001724126317 1204006142 /nfs/dbraw/zinc/00/61/42/1204006142.db2.gz QVXBDXXCSQAKQN-PKOBYXMFSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001724191422 1204013696 /nfs/dbraw/zinc/01/36/96/1204013696.db2.gz WKAKTHNLAYMERL-IBGZPJMESA-N 0 3 300.446 3.121 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cccc(Cl)c2C)CC1 ZINC001724285616 1204018104 /nfs/dbraw/zinc/01/81/04/1204018104.db2.gz OKCDVUHRXYEMRM-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001724334048 1204022986 /nfs/dbraw/zinc/02/29/86/1204022986.db2.gz RJRRTPDPRLUZLF-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@](C)(CC)CCCCC)C[C@@H]2C1 ZINC001724628320 1204034465 /nfs/dbraw/zinc/03/44/65/1204034465.db2.gz SGLDGRZZYUHGOQ-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CCC=C(C)C ZINC001724651153 1204036374 /nfs/dbraw/zinc/03/63/74/1204036374.db2.gz HCSNBLZRXRKBTI-GUDVDZBRSA-N 0 3 316.489 3.458 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 ZINC001724740783 1204041852 /nfs/dbraw/zinc/04/18/52/1204041852.db2.gz KIJTXFCUAPIGLL-DLBZAZTESA-N 0 3 310.441 3.333 20 30 DGEDHN CCC(=O)NCc1ccc([C@H](C)NCC#Cc2ccccc2)cc1 ZINC001724743322 1204042735 /nfs/dbraw/zinc/04/27/35/1204042735.db2.gz VIDGASHNZWILSZ-KRWDZBQOSA-N 0 3 320.436 3.415 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)C2CCC2)cc1 ZINC001724752198 1204043633 /nfs/dbraw/zinc/04/36/33/1204043633.db2.gz YSBUCWXGUWBIEY-HNNXBMFYSA-N 0 3 312.457 3.413 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc(C3CCC3)c2)CCC1 ZINC001724799762 1204049228 /nfs/dbraw/zinc/04/92/28/1204049228.db2.gz WSMBRYBLOYCIBF-UHFFFAOYSA-N 0 3 310.441 3.220 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001724856162 1204058423 /nfs/dbraw/zinc/05/84/23/1204058423.db2.gz AYTRNYIOAZOSNC-UHFFFAOYSA-N 0 3 312.413 3.077 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001724858818 1204059451 /nfs/dbraw/zinc/05/94/51/1204059451.db2.gz MZDDCUHHEJVMSX-UHFFFAOYSA-N 0 3 320.436 3.381 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C\C ZINC001724891702 1204063444 /nfs/dbraw/zinc/06/34/44/1204063444.db2.gz BALPGWAPJWHIAU-YVDYPEBHSA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CC(C)C ZINC001724892621 1204063505 /nfs/dbraw/zinc/06/35/05/1204063505.db2.gz HKSKRNWHDSUYEP-SFHVURJKSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001724892161 1204063677 /nfs/dbraw/zinc/06/36/77/1204063677.db2.gz DWWUAEVDBNUNPB-LJQANCHMSA-N 0 3 324.468 3.296 20 30 DGEDHN CC(C)CCC(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001724990564 1204075420 /nfs/dbraw/zinc/07/54/20/1204075420.db2.gz CSUXZKVHHARPRY-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@H](C)C1 ZINC001725000477 1204077264 /nfs/dbraw/zinc/07/72/64/1204077264.db2.gz YWDTXFFPIOENFS-SJORKVTESA-N 0 3 315.461 3.215 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)C#CC1CC1 ZINC001725014125 1204080028 /nfs/dbraw/zinc/08/00/28/1204080028.db2.gz REIZDEDQXJSGTO-HXUWFJFHSA-N 0 3 322.452 3.082 20 30 DGEDHN CC(C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1)=C1CCC1 ZINC001725094771 1204093474 /nfs/dbraw/zinc/09/34/74/1204093474.db2.gz QHAKHYFAYHFZBD-DLBZAZTESA-N 0 3 310.441 3.021 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1scnc1C ZINC001725108558 1204096401 /nfs/dbraw/zinc/09/64/01/1204096401.db2.gz MWMRWWLVNQWVQA-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001725154318 1204105226 /nfs/dbraw/zinc/10/52/26/1204105226.db2.gz HQPBHZZOYZLIPP-CXAGYDPISA-N 0 3 304.409 3.216 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2ccc(C)c(F)c2)C1 ZINC001725180486 1204113177 /nfs/dbraw/zinc/11/31/77/1204113177.db2.gz OXMKEAURLBPBJO-HNNXBMFYSA-N 0 3 318.436 3.427 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725184584 1204114514 /nfs/dbraw/zinc/11/45/14/1204114514.db2.gz HBUZALSKHCWQNT-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC[C@H](NCc1ccon1)C(C)C ZINC001725210379 1204119356 /nfs/dbraw/zinc/11/93/56/1204119356.db2.gz FGJNMSULFVEKRJ-INIZCTEOSA-N 0 3 321.465 3.240 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCCN(Cc1csc(C)c1)C2 ZINC001725339456 1204138696 /nfs/dbraw/zinc/13/86/96/1204138696.db2.gz MXNAAHHXQAIHDE-UHFFFAOYSA-N 0 3 318.486 3.447 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2ccccc2C)C1 ZINC001725364962 1204141475 /nfs/dbraw/zinc/14/14/75/1204141475.db2.gz SCKBQHXYGKLNJW-JCNLHEQBSA-N 0 3 320.864 3.165 20 30 DGEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)CC(C)(C)C ZINC001725382246 1204144065 /nfs/dbraw/zinc/14/40/65/1204144065.db2.gz OUNGZWOPBZULRB-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001725404559 1204146186 /nfs/dbraw/zinc/14/61/86/1204146186.db2.gz XNAXNDBCKGLAFQ-CYBMUJFWSA-N 0 3 319.836 3.409 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001725596184 1204175821 /nfs/dbraw/zinc/17/58/21/1204175821.db2.gz LNIMREZMVDTKPS-GDBMZVCRSA-N 0 3 304.409 3.261 20 30 DGEDHN C[C@H](CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1)C1CC1 ZINC001725790491 1204223327 /nfs/dbraw/zinc/22/33/27/1204223327.db2.gz VKPHXXIQEQGDIX-PBPGXSGUSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccsc1 ZINC001731288359 1204363072 /nfs/dbraw/zinc/36/30/72/1204363072.db2.gz OMLOOTRVNHFJMK-TZMCWYRMSA-N 0 3 312.866 3.473 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cccc(F)c1Cl)C1CC1 ZINC001731340399 1204377890 /nfs/dbraw/zinc/37/78/90/1204377890.db2.gz HHNOKUOSQWWEEQ-UHFFFAOYSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCCC(=O)N(C)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001731349130 1204380780 /nfs/dbraw/zinc/38/07/80/1204380780.db2.gz UIGRZNLPUVOBTE-FMIVXFBMSA-N 0 3 324.468 3.426 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cnoc2CC)C1 ZINC001731354677 1204383833 /nfs/dbraw/zinc/38/38/33/1204383833.db2.gz PBQUKQBEVOMNNV-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001731354461 1204384632 /nfs/dbraw/zinc/38/46/32/1204384632.db2.gz FRYVZMCAYOMYJO-JKSUJKDBSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001731413179 1204403294 /nfs/dbraw/zinc/40/32/94/1204403294.db2.gz KNEPDDJJKAKICZ-ZDUSSCGKSA-N 0 3 306.372 3.075 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001731413178 1204403578 /nfs/dbraw/zinc/40/35/78/1204403578.db2.gz KNEPDDJJKAKICZ-CYBMUJFWSA-N 0 3 306.372 3.075 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001731525012 1204442472 /nfs/dbraw/zinc/44/24/72/1204442472.db2.gz QXYLDDQSDYVRKZ-CKXDQPNJSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001731543273 1204453153 /nfs/dbraw/zinc/45/31/53/1204453153.db2.gz VNEJAYGPQGIYNK-MSOLQXFVSA-N 0 3 322.493 3.129 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001731627851 1204489327 /nfs/dbraw/zinc/48/93/27/1204489327.db2.gz WIAFWLLBDBFWOY-SUMWQHHRSA-N 0 3 321.490 3.430 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001731694435 1204507558 /nfs/dbraw/zinc/50/75/58/1204507558.db2.gz JIJHFSKUOVHCHY-HUUCEWRRSA-N 0 3 321.490 3.325 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC001731720093 1204521197 /nfs/dbraw/zinc/52/11/97/1204521197.db2.gz OMQZFUMSKQZSKW-SFHVURJKSA-N 0 3 312.457 3.172 20 30 DGEDHN C=CCCC(=O)NCCN(C)[C@H]1CCc2c1cccc2Cl ZINC001731765248 1204544303 /nfs/dbraw/zinc/54/43/03/1204544303.db2.gz CZCDHKIWUVSCRK-INIZCTEOSA-N 0 3 306.837 3.342 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001731824058 1204586357 /nfs/dbraw/zinc/58/63/57/1204586357.db2.gz NOOCTBMJJSOWCW-FQEVSTJZSA-N 0 3 324.468 3.059 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(C)CCC(F)(F)CC1)C1CC1 ZINC001731878262 1204619064 /nfs/dbraw/zinc/61/90/64/1204619064.db2.gz XAUCENKXQUKRSE-UHFFFAOYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001731951010 1204634962 /nfs/dbraw/zinc/63/49/62/1204634962.db2.gz UXAUSCIOZQCEHA-KRWDZBQOSA-N 0 3 310.388 3.115 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCNCc2ccc(C)c(F)c2)C1 ZINC001731954545 1204636134 /nfs/dbraw/zinc/63/61/34/1204636134.db2.gz UOWCLIXRIOWRCN-UHFFFAOYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CCCC(F)(F)F)c1ccccc1 ZINC001732024026 1204653439 /nfs/dbraw/zinc/65/34/39/1204653439.db2.gz VLRQATYZNPWWBN-AWEZNQCLSA-N 0 3 314.351 3.352 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1c(C)cccc1F)c1ccccc1 ZINC001732027499 1204654049 /nfs/dbraw/zinc/65/40/49/1204654049.db2.gz UWVNLXGCIJSSBG-SFHVURJKSA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2nc(C)c(C)s2)C1 ZINC001732042631 1204663445 /nfs/dbraw/zinc/66/34/45/1204663445.db2.gz WDOGHAVGLHZNKA-OAHLLOKOSA-N 0 3 321.490 3.263 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CN(C)Cc2ocnc2C)CC1 ZINC001732085769 1204687440 /nfs/dbraw/zinc/68/74/40/1204687440.db2.gz ZNTHTVGRRZEIKH-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN CC#CCCCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001732130701 1204706390 /nfs/dbraw/zinc/70/63/90/1204706390.db2.gz INOCDYXIWLJOHN-KRWDZBQOSA-N 0 3 312.457 3.298 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccs1 ZINC001732140154 1204710683 /nfs/dbraw/zinc/71/06/83/1204710683.db2.gz ASSFCNJRRJAAGH-HOTGVXAUSA-N 0 3 318.486 3.322 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C1CCCC1 ZINC001732142750 1204711109 /nfs/dbraw/zinc/71/11/09/1204711109.db2.gz XIROXZDDCRSTHK-BPUTZDHNSA-N 0 3 306.425 3.424 20 30 DGEDHN C=CCC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001732151529 1204714617 /nfs/dbraw/zinc/71/46/17/1204714617.db2.gz LTRDZSAAXINTTD-GBESFXJTSA-N 0 3 312.457 3.430 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001732151814 1204715709 /nfs/dbraw/zinc/71/57/09/1204715709.db2.gz LUJBLTQREYNXMU-KRWDZBQOSA-N 0 3 300.446 3.467 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccc(F)cc2)C1 ZINC001732183613 1204736639 /nfs/dbraw/zinc/73/66/39/1204736639.db2.gz YCPDRIPZXUCFSV-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001732187070 1204738389 /nfs/dbraw/zinc/73/83/89/1204738389.db2.gz WZDPCALNLCBHBB-HOTGVXAUSA-N 0 3 304.434 3.272 20 30 DGEDHN CCCCC(=O)NC[C@@H](CC)NCC#Cc1ccccc1Cl ZINC001732191705 1204742211 /nfs/dbraw/zinc/74/22/11/1204742211.db2.gz LQPAKPNPKFEAIH-MRXNPFEDSA-N 0 3 320.864 3.366 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001732195480 1204743816 /nfs/dbraw/zinc/74/38/16/1204743816.db2.gz QSWWOVNDKSMPFB-CZUORRHYSA-N 0 3 319.424 3.118 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001732195478 1204744234 /nfs/dbraw/zinc/74/42/34/1204744234.db2.gz QSWWOVNDKSMPFB-BBRMVZONSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1ccc(C)cc1Cl ZINC001732198147 1204745420 /nfs/dbraw/zinc/74/54/20/1204745420.db2.gz OESRGNXAUKXGAG-MRXNPFEDSA-N 0 3 320.864 3.436 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1scnc1C ZINC001732204523 1204748324 /nfs/dbraw/zinc/74/83/24/1204748324.db2.gz JEWUAPONUWBALP-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CCCF)CCCC[C@@H]1C ZINC001732255484 1204772566 /nfs/dbraw/zinc/77/25/66/1204772566.db2.gz DYCDIBSRDBRCGB-SWLSCSKDSA-N 0 3 304.837 3.143 20 30 DGEDHN CCC(=O)N[C@@]1(CNCC#Cc2ccccc2)CCCC[C@@H]1C ZINC001732253908 1204771847 /nfs/dbraw/zinc/77/18/47/1204771847.db2.gz QXNBTMQBUKDFBW-FXAWDEMLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCCCC(=O)N1CCC(CCNCc2cc(C)no2)CC1 ZINC001732300351 1204782811 /nfs/dbraw/zinc/78/28/11/1204782811.db2.gz ANYPPXAILLBTML-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC001732316738 1204788822 /nfs/dbraw/zinc/78/88/22/1204788822.db2.gz DCDSVXNIKAVTGD-PMACEKPBSA-N 0 3 324.468 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC001732316739 1204789164 /nfs/dbraw/zinc/78/91/64/1204789164.db2.gz DCDSVXNIKAVTGD-UXHICEINSA-N 0 3 324.468 3.242 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl)CCC1 ZINC001732362998 1204806262 /nfs/dbraw/zinc/80/62/62/1204806262.db2.gz SASVQMPRWZZJJP-FMNNIJNLSA-N 0 3 319.276 3.394 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001732434043 1204837997 /nfs/dbraw/zinc/83/79/97/1204837997.db2.gz ARZPNFSHKBDZGU-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCC[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001732475859 1204863772 /nfs/dbraw/zinc/86/37/72/1204863772.db2.gz SWYNXMQURALEJL-KRWDZBQOSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001732512920 1204876624 /nfs/dbraw/zinc/87/66/24/1204876624.db2.gz SYHBAHPHZWETNG-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CCC(F)F ZINC001732512109 1204877092 /nfs/dbraw/zinc/87/70/92/1204877092.db2.gz UXPFRQICYCXGDM-GFCCVEGCSA-N 0 3 308.800 3.145 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1cccc(F)c1F)C(C)C ZINC001732558278 1204895416 /nfs/dbraw/zinc/89/54/16/1204895416.db2.gz YIPPMRQAIXTBLD-HNNXBMFYSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(Cl)cc1)C(C)C ZINC001732573036 1204901890 /nfs/dbraw/zinc/90/18/90/1204901890.db2.gz YIECJUPPKJHZQX-CQSZACIVSA-N 0 3 315.244 3.437 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCOc1ccc(C)c(C)c1 ZINC001732582269 1204907840 /nfs/dbraw/zinc/90/78/40/1204907840.db2.gz JNXLVLXMTPICNB-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2scnc2c1 ZINC001732740678 1204936572 /nfs/dbraw/zinc/93/65/72/1204936572.db2.gz LLNMIFJNTZTMLZ-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2cc(C)ccc2s1 ZINC001732804256 1204946216 /nfs/dbraw/zinc/94/62/16/1204946216.db2.gz GZLPYXYPOCZQQE-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001732900654 1204956545 /nfs/dbraw/zinc/95/65/45/1204956545.db2.gz FVGBSTOXKHEENX-RMQQFATJSA-N 0 3 324.468 3.246 20 30 DGEDHN C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)CC(C)(C)C ZINC001732988091 1204974639 /nfs/dbraw/zinc/97/46/39/1204974639.db2.gz RFCVEWRGMYIPFF-AWEZNQCLSA-N 0 3 320.864 3.222 20 30 DGEDHN Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001733039054 1204994209 /nfs/dbraw/zinc/99/42/09/1204994209.db2.gz RIPAFNURGFCGNP-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)CCc1ccccc1F ZINC001733051741 1205003238 /nfs/dbraw/zinc/00/32/38/1205003238.db2.gz IDGBVEPOXKTMQN-LSDHHAIUSA-N 0 3 306.425 3.017 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001733051168 1205003521 /nfs/dbraw/zinc/00/35/21/1205003521.db2.gz YKCKKAAYDXAINX-INIZCTEOSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001733215683 1205047566 /nfs/dbraw/zinc/04/75/66/1205047566.db2.gz ZJHUAHMTZFORCH-SFHVURJKSA-N 0 3 315.461 3.249 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001733222130 1205051669 /nfs/dbraw/zinc/05/16/69/1205051669.db2.gz KZSWCCLQUKLIRK-AWEZNQCLSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001733221505 1205052931 /nfs/dbraw/zinc/05/29/31/1205052931.db2.gz CUWQEXLYWAJDSD-GOEBONIOSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1F ZINC001733224957 1205054604 /nfs/dbraw/zinc/05/46/04/1205054604.db2.gz IKTHBWDFFAFXKO-NVXWUHKLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1F ZINC001733224959 1205055338 /nfs/dbraw/zinc/05/53/38/1205055338.db2.gz IKTHBWDFFAFXKO-WBVHZDCISA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001733227853 1205058174 /nfs/dbraw/zinc/05/81/74/1205058174.db2.gz BCWGZVLEUUCMCF-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc(Cl)s3)CC2)C1 ZINC001733255151 1205070843 /nfs/dbraw/zinc/07/08/43/1205070843.db2.gz GBLYJYNBZFMSSZ-UHFFFAOYSA-N 0 3 324.877 3.496 20 30 DGEDHN C=CCCC(=O)N1CC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001733291286 1205084952 /nfs/dbraw/zinc/08/49/52/1205084952.db2.gz HMZGCAYHHLUPGE-QGZVFWFLSA-N 0 3 304.459 3.139 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001733296037 1205085138 /nfs/dbraw/zinc/08/51/38/1205085138.db2.gz CMWGZCAMIRXNNO-QFBILLFUSA-N 0 3 304.478 3.006 20 30 DGEDHN CCCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1Cl ZINC001733334226 1205098414 /nfs/dbraw/zinc/09/84/14/1205098414.db2.gz VQXZLKAERUSHKO-INIZCTEOSA-N 0 3 318.848 3.072 20 30 DGEDHN CC1(NC(=O)C=C2CCC2)CCN(Cc2cccc(C#N)c2)CC1 ZINC001733354754 1205103784 /nfs/dbraw/zinc/10/37/84/1205103784.db2.gz DCSHVPQFFFYZLB-UHFFFAOYSA-N 0 3 323.440 3.139 20 30 DGEDHN C#CCN(C(=O)C1(F)CCCC1)C1CCN(CC=C(C)C)CC1 ZINC001733368876 1205107714 /nfs/dbraw/zinc/10/77/14/1205107714.db2.gz CVIYCQCYXXIUKD-UHFFFAOYSA-N 0 3 320.452 3.161 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001733398039 1205115713 /nfs/dbraw/zinc/11/57/13/1205115713.db2.gz NWQLEZGCXILGBN-KXBFYZLASA-N 0 3 313.445 3.050 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001733415253 1205126069 /nfs/dbraw/zinc/12/60/69/1205126069.db2.gz DJQJUUQWBPGMJM-LJQANCHMSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCCCCC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001733448206 1205135648 /nfs/dbraw/zinc/13/56/48/1205135648.db2.gz WZJLPFJIYYBJNM-YRNVUSSQSA-N 0 3 310.869 3.151 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncsc2C(C)C)C1 ZINC001733459904 1205142160 /nfs/dbraw/zinc/14/21/60/1205142160.db2.gz BZGZODQWVBDDEN-QGZVFWFLSA-N 0 3 321.490 3.284 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001733458458 1205142733 /nfs/dbraw/zinc/14/27/33/1205142733.db2.gz GJSUSSAAXBTBEM-KRWDZBQOSA-N 0 3 323.387 3.037 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001733462524 1205144643 /nfs/dbraw/zinc/14/46/43/1205144643.db2.gz MXCFNRFAELXYAX-IMBTUZDBSA-N 0 3 304.478 3.217 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001733463996 1205145279 /nfs/dbraw/zinc/14/52/79/1205145279.db2.gz RWAGIBHBHYTXHP-GOSISDBHSA-N 0 3 322.399 3.291 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccnc(C)c1)c1ccccc1CC ZINC001733519124 1205152812 /nfs/dbraw/zinc/15/28/12/1205152812.db2.gz UWDDLGQWVRVZFN-LJQANCHMSA-N 0 3 323.440 3.199 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cccc(F)c1 ZINC001733568202 1205164491 /nfs/dbraw/zinc/16/44/91/1205164491.db2.gz SMBUXGKLRMEKQA-UHFFFAOYSA-N 0 3 324.399 3.081 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H](C)c1ccccc1 ZINC001733597194 1205170478 /nfs/dbraw/zinc/17/04/78/1205170478.db2.gz AOBXWRVLJRNBBL-YSIASYRMSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2CCC(F)(F)F ZINC001733600072 1205170606 /nfs/dbraw/zinc/17/06/06/1205170606.db2.gz QDVZTEOUYZFWRB-UONOGXRCSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@@H](F)CC ZINC001733602507 1205171255 /nfs/dbraw/zinc/17/12/55/1205171255.db2.gz WGRWSICCZOKLPG-XHSDSOJGSA-N 0 3 310.457 3.402 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1CC(C)C1 ZINC001733676273 1205181765 /nfs/dbraw/zinc/18/17/65/1205181765.db2.gz BIHXGKXDLNTDSI-UHFFFAOYSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C=C/c1ccco1 ZINC001733676857 1205181978 /nfs/dbraw/zinc/18/19/78/1205181978.db2.gz BGDXERUULQAYJN-VAWYXSNFSA-N 0 3 322.408 3.064 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C1CCC1 ZINC001733676915 1205181992 /nfs/dbraw/zinc/18/19/92/1205181992.db2.gz HYPGGMFGWMCJED-HNNXBMFYSA-N 0 3 300.446 3.357 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001733693659 1205187063 /nfs/dbraw/zinc/18/70/63/1205187063.db2.gz QZRRBSGPSLZRBD-HNNXBMFYSA-N 0 3 310.457 3.261 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)CC(C)C)C2)CC1 ZINC001733696218 1205187797 /nfs/dbraw/zinc/18/77/97/1205187797.db2.gz YJVMJEZKYHYBQI-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CC3(C)CC3)cccc2C1 ZINC001733708291 1205189658 /nfs/dbraw/zinc/18/96/58/1205189658.db2.gz ARCFFOLLVMXBHV-UHFFFAOYSA-N 0 3 312.457 3.427 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCC#CC)CCC2)CCCCC1 ZINC001733728140 1205197546 /nfs/dbraw/zinc/19/75/46/1205197546.db2.gz KLAKXVOKHFPLAF-UHFFFAOYSA-N 0 3 302.462 3.165 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2scnc2C)CC1 ZINC001733759155 1205200886 /nfs/dbraw/zinc/20/08/86/1205200886.db2.gz CUMZGCADMHKEIF-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC001733762370 1205202516 /nfs/dbraw/zinc/20/25/16/1205202516.db2.gz LNYVQNAXYNVJQP-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C)c(C)c1Cl ZINC001733777432 1205214158 /nfs/dbraw/zinc/21/41/58/1205214158.db2.gz MHDWEWDQZDPWIO-UHFFFAOYSA-N 0 3 320.864 3.374 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CC#CC)C1 ZINC001733783381 1205218685 /nfs/dbraw/zinc/21/86/85/1205218685.db2.gz YABWAMQRGQLESM-MOPGFXCFSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H](C)c1ccccc1 ZINC001733908696 1205250768 /nfs/dbraw/zinc/25/07/68/1205250768.db2.gz VNWXZHWDEKHLGZ-ZFWWWQNUSA-N 0 3 308.853 3.417 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC2(CC1)CN(CCCCC)CCO2 ZINC001733909685 1205250780 /nfs/dbraw/zinc/25/07/80/1205250780.db2.gz PNWMMQFAZAUJPY-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)CCC ZINC001733907730 1205251535 /nfs/dbraw/zinc/25/15/35/1205251535.db2.gz JYWPQOHTYIHQQP-GOSISDBHSA-N 0 3 300.446 3.468 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2CCCC2)CC1 ZINC001733916903 1205252211 /nfs/dbraw/zinc/25/22/11/1205252211.db2.gz VIOPSBSMSCKAOH-UHFFFAOYSA-N 0 3 312.885 3.490 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001733917885 1205253008 /nfs/dbraw/zinc/25/30/08/1205253008.db2.gz GBKLORHYNUIAKB-FVQHAEBGSA-N 0 3 324.896 3.346 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)OC1CCCCCC1 ZINC001733936396 1205264791 /nfs/dbraw/zinc/26/47/91/1205264791.db2.gz SBGIPLFWCVUNOO-DLBZAZTESA-N 0 3 322.493 3.223 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccccc1F ZINC001733990077 1205280783 /nfs/dbraw/zinc/28/07/83/1205280783.db2.gz BPSZLTIJYLASLV-HUUCEWRRSA-N 0 3 304.409 3.002 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001733999780 1205283993 /nfs/dbraw/zinc/28/39/93/1205283993.db2.gz VZKWFIDPRTVTOR-SJORKVTESA-N 0 3 314.473 3.347 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ncc(C)cc1C ZINC001734018478 1205290040 /nfs/dbraw/zinc/29/00/40/1205290040.db2.gz LPYYUDRRONHZQQ-UHFFFAOYSA-N 0 3 323.868 3.139 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1scnc1C1CCCC1 ZINC001734045037 1205301991 /nfs/dbraw/zinc/30/19/91/1205301991.db2.gz UGMXWSFNANAAOT-GFCCVEGCSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001734067224 1205314753 /nfs/dbraw/zinc/31/47/53/1205314753.db2.gz KLSAYJNFYIRPKB-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001734112917 1205327953 /nfs/dbraw/zinc/32/79/53/1205327953.db2.gz LMCJJRMVHFWPCJ-QGZVFWFLSA-N 0 3 312.457 3.125 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001734123122 1205329857 /nfs/dbraw/zinc/32/98/57/1205329857.db2.gz DKVPQCVYAIBPBJ-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@](C)(F)CCCC)C[C@]2(C)C1 ZINC001734198819 1205342112 /nfs/dbraw/zinc/34/21/12/1205342112.db2.gz QERQFKLIBSLTAA-OTWHNJEPSA-N 0 3 322.468 3.099 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(C(C)C)on1 ZINC001734246071 1205348887 /nfs/dbraw/zinc/34/88/87/1205348887.db2.gz LDDJYSXXBCCVOO-GFCCVEGCSA-N 0 3 313.829 3.039 20 30 DGEDHN CN(C(=O)C1(C)CCC1)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001734302098 1205360046 /nfs/dbraw/zinc/36/00/46/1205360046.db2.gz CZTVNMMDTVRCAI-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001734414371 1205374240 /nfs/dbraw/zinc/37/42/40/1205374240.db2.gz AXWKSUVQNOWQTR-OWYHZJEWSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C[C@H](C(=O)N[C@]12CCC[C@@H]1N(CC#CC)CC2)c1ccccc1 ZINC001734447061 1205378546 /nfs/dbraw/zinc/37/85/46/1205378546.db2.gz XZGDHSZXOLBKEN-ZJOUEHCJSA-N 0 3 322.452 3.093 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)C/C=C/Cc2ccccc2)[C@@H]1C ZINC001734460407 1205381847 /nfs/dbraw/zinc/38/18/47/1205381847.db2.gz PSNOHNCEOHVRNH-TYLRKXQCSA-N 0 3 312.457 3.331 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2cc(C)ns2)C(C)(C)C1 ZINC001734502429 1205388088 /nfs/dbraw/zinc/38/80/88/1205388088.db2.gz ZHUURTSBZVIVQP-OAHLLOKOSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@H]1CCCC[C@H]1C)C(C)C ZINC001734552484 1205391525 /nfs/dbraw/zinc/39/15/25/1205391525.db2.gz BVJDWKSLHHDAER-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN CC(C)CC(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001734558033 1205394157 /nfs/dbraw/zinc/39/41/57/1205394157.db2.gz LMRGGTNDNJYNGV-OAHLLOKOSA-N 0 3 321.490 3.286 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001734578291 1205399506 /nfs/dbraw/zinc/39/95/06/1205399506.db2.gz UHWZPGKGOPIXAJ-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](C)CCC(C)(C)C)CC2)CC1 ZINC001734605216 1205405066 /nfs/dbraw/zinc/40/50/66/1205405066.db2.gz XXWPDYLRGOXLRM-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H](F)C2)c(F)c1 ZINC001734640800 1205408566 /nfs/dbraw/zinc/40/85/66/1205408566.db2.gz PSSQZKHFDNLFEQ-GDBMZVCRSA-N 0 3 322.399 3.246 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccc(C)c(C)c1)C(C)C ZINC001667519917 1197356387 /nfs/dbraw/zinc/35/63/87/1197356387.db2.gz QHNLUQGLTSPATN-KRWDZBQOSA-N 0 3 322.880 3.329 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001669805688 1197484778 /nfs/dbraw/zinc/48/47/78/1197484778.db2.gz DTNXQPRWNCWHDY-CABCVRRESA-N 0 3 320.864 3.497 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001669867354 1197494310 /nfs/dbraw/zinc/49/43/10/1197494310.db2.gz DSMSSDVWNSAXGM-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001132569783 1082948233 /nfs/dbraw/zinc/94/82/33/1082948233.db2.gz YPGDIBWCRHJJTI-QWRGUYRKSA-N 0 3 300.855 3.066 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001482964366 1087202367 /nfs/dbraw/zinc/20/23/67/1087202367.db2.gz JISJLUJCXYTHQJ-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=CCN1CCN([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257563897 1106606597 /nfs/dbraw/zinc/60/65/97/1106606597.db2.gz ILQYKUUSVVZYHK-CQSZACIVSA-N 0 3 323.278 3.184 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@@H](C)c1cccc(C)c1 ZINC001480857722 1081577669 /nfs/dbraw/zinc/57/76/69/1081577669.db2.gz ZRWFEUMCGQSMFN-KRWDZBQOSA-N 0 3 300.446 3.298 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001169706495 1081634753 /nfs/dbraw/zinc/63/47/53/1081634753.db2.gz SGAVATADWSZNGE-MRXNPFEDSA-N 0 3 313.445 3.289 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc3ccncc3s2)C1 ZINC001266323149 1081666138 /nfs/dbraw/zinc/66/61/38/1081666138.db2.gz VXJLURFQMULVRL-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CC1(CC(=O)NCCN(C)C[C@@H]2CC[C@@H](C)O2)CCCCC1 ZINC001266337257 1081678540 /nfs/dbraw/zinc/67/85/40/1081678540.db2.gz CFKOPIIGVSQTPT-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209183519 1081695646 /nfs/dbraw/zinc/69/56/46/1081695646.db2.gz NVKMTEAXSKHTCN-STQMWFEESA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@H]1C[C@@H]1C)CC2 ZINC001209416517 1081734950 /nfs/dbraw/zinc/73/49/50/1081734950.db2.gz SIDIAZFROKMDBU-GOEBONIOSA-N 0 3 315.461 3.010 20 30 DGEDHN C=CCCCCCN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001209422835 1081741378 /nfs/dbraw/zinc/74/13/78/1081741378.db2.gz IXRJDAJHWGWGHD-GOSISDBHSA-N 0 3 317.477 3.488 20 30 DGEDHN C[C@@H]1CCC[C@@H](CCN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001167137796 1081748789 /nfs/dbraw/zinc/74/87/89/1081748789.db2.gz GVVLREWCHHNXPX-SJORKVTESA-N 0 3 312.461 3.292 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001108993521 1081749802 /nfs/dbraw/zinc/74/98/02/1081749802.db2.gz GDZXGAUWTKSJIN-ILXRZTDVSA-N 0 3 321.490 3.449 20 30 DGEDHN CCN(CCNC(=O)C1(CC)CCC1)Cc1ccc(C#N)cc1 ZINC001266411514 1081767955 /nfs/dbraw/zinc/76/79/55/1081767955.db2.gz YAKYPUZFBWNIJR-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109166393 1081775631 /nfs/dbraw/zinc/77/56/31/1081775631.db2.gz PSFALHFAIHWQBC-AABGKKOBSA-N 0 3 324.468 3.410 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001266423031 1081781965 /nfs/dbraw/zinc/78/19/65/1081781965.db2.gz AGUFLPGFZXTFPB-KDMTZKAISA-N 0 3 322.452 3.045 20 30 DGEDHN C#CCN(CCN(C)Cc1ccccc1)Cc1ccc(F)cc1 ZINC001167273374 1081876917 /nfs/dbraw/zinc/87/69/17/1081876917.db2.gz DLCPEXZOHYSEEJ-UHFFFAOYSA-N 0 3 310.416 3.393 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109604623 1081885606 /nfs/dbraw/zinc/88/56/06/1081885606.db2.gz RWISWLJMCCAYEK-AABGKKOBSA-N 0 3 324.468 3.492 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001266488595 1081889998 /nfs/dbraw/zinc/88/99/98/1081889998.db2.gz LWZFUHFQPIKYKQ-RYUDHWBXSA-N 0 3 312.866 3.272 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CCC(C)(C)C)C[C@H](C)O2 ZINC001111550995 1081903157 /nfs/dbraw/zinc/90/31/57/1081903157.db2.gz PQPSFBWSPSLQGF-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266499741 1081903745 /nfs/dbraw/zinc/90/37/45/1081903745.db2.gz GUBAZLDGYJBSDD-INIZCTEOSA-N 0 3 316.445 3.190 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001266499741 1081903748 /nfs/dbraw/zinc/90/37/48/1081903748.db2.gz GUBAZLDGYJBSDD-INIZCTEOSA-N 0 3 316.445 3.190 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C2 ZINC001109805556 1081917862 /nfs/dbraw/zinc/91/78/62/1081917862.db2.gz CECLRNXIJYUOAK-RNQOJCNYSA-N 0 3 324.468 3.315 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1C(C)C)C2 ZINC001109921233 1081934551 /nfs/dbraw/zinc/93/45/51/1081934551.db2.gz KGFFYDIJLRUYQD-KBMXLJTQSA-N 0 3 317.433 3.099 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001266528687 1081952544 /nfs/dbraw/zinc/95/25/44/1081952544.db2.gz VZHABQNIQXATSJ-JKSUJKDBSA-N 0 3 318.436 3.366 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001086538014 1081962906 /nfs/dbraw/zinc/96/29/06/1081962906.db2.gz KIXDPHJGEXRZKY-BIAGXBKMSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001266567832 1082007372 /nfs/dbraw/zinc/00/73/72/1082007372.db2.gz UVXGREACZVRSDS-ADPSBFBKSA-N 0 3 318.848 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001086560580 1082010412 /nfs/dbraw/zinc/01/04/12/1082010412.db2.gz OZJLDVIRNCUOJH-WJYNOGRTSA-N 0 3 318.848 3.415 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001112837676 1082020325 /nfs/dbraw/zinc/02/03/25/1082020325.db2.gz QWYHIDNIFWGJSP-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001086561896 1082021395 /nfs/dbraw/zinc/02/13/95/1082021395.db2.gz QYMWROAFKYXOOE-RBSFLKMASA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCNCc1cccc(F)c1F ZINC001167363051 1082027349 /nfs/dbraw/zinc/02/73/49/1082027349.db2.gz KJIZQUMMEYYXJW-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1)OCC ZINC001112906953 1082047612 /nfs/dbraw/zinc/04/76/12/1082047612.db2.gz UMUOZZBWIHFHOI-ZWKOTPCHSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1CCN(C[C@H](C)CC(C)C)CC1)OCC ZINC001112906951 1082047735 /nfs/dbraw/zinc/04/77/35/1082047735.db2.gz UMUOZZBWIHFHOI-QZTJIDSGSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001266609721 1082063781 /nfs/dbraw/zinc/06/37/81/1082063781.db2.gz VSALDZPEHABIIJ-LJQANCHMSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccsc2)CC1 ZINC001112967228 1082068427 /nfs/dbraw/zinc/06/84/27/1082068427.db2.gz DRBQLKZXWJUKND-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001266616939 1082079431 /nfs/dbraw/zinc/07/94/31/1082079431.db2.gz OYIOKCLSZONRDS-MPGHIAIKSA-N 0 3 322.399 3.304 20 30 DGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC001170094532 1082079587 /nfs/dbraw/zinc/07/95/87/1082079587.db2.gz IRRCEJLTMMWJRJ-IBGZPJMESA-N 0 3 313.828 3.379 20 30 DGEDHN C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001266651876 1082114949 /nfs/dbraw/zinc/11/49/49/1082114949.db2.gz LBVSLTOUVATDLT-AGUYFDCRSA-N 0 3 318.383 3.407 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001086581923 1082131077 /nfs/dbraw/zinc/13/10/77/1082131077.db2.gz RPLPLZKUEOSYNT-RBUKOAKNSA-N 0 3 323.440 3.097 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC001113172849 1082132871 /nfs/dbraw/zinc/13/28/71/1082132871.db2.gz UWPGWDSLCOXNPV-INIZCTEOSA-N 0 3 323.440 3.347 20 30 DGEDHN C#CCCCCCC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113204906 1082139141 /nfs/dbraw/zinc/13/91/41/1082139141.db2.gz BTOAZLJZALHJBV-SFHVURJKSA-N 0 3 306.494 3.397 20 30 DGEDHN C[C@@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266707798 1082159070 /nfs/dbraw/zinc/15/90/70/1082159070.db2.gz DYYLAYLSGPHSJV-RSPOEFSDSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC1(C(=O)N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCC1 ZINC001113314927 1082176904 /nfs/dbraw/zinc/17/69/04/1082176904.db2.gz RWMKKPRLVACZBY-KURKYZTESA-N 0 3 316.489 3.313 20 30 DGEDHN C=CCC1(C(=O)N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCC1 ZINC001113314926 1082176915 /nfs/dbraw/zinc/17/69/15/1082176915.db2.gz RWMKKPRLVACZBY-FGTMMUONSA-N 0 3 316.489 3.313 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001266746032 1082184275 /nfs/dbraw/zinc/18/42/75/1082184275.db2.gz BHHXRKOBDGVFFX-INIZCTEOSA-N 0 3 318.486 3.270 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@H](CCC)C(C)C ZINC001167468412 1082192849 /nfs/dbraw/zinc/19/28/49/1082192849.db2.gz RBBDYMXOJZHZRI-CYBMUJFWSA-N 0 3 319.287 3.063 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113390856 1082193360 /nfs/dbraw/zinc/19/33/60/1082193360.db2.gz XDUAFFJBVRSPKR-ZACQAIPSSA-N 0 3 304.478 3.169 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001266776388 1082210451 /nfs/dbraw/zinc/21/04/51/1082210451.db2.gz ZTYFNGRXBFIZGF-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC(=O)NCC1=CCN(Cc2ccc(CF)cc2)CC1 ZINC001279511560 1082219328 /nfs/dbraw/zinc/21/93/28/1082219328.db2.gz PQNFVPKQJPLUGH-UHFFFAOYSA-N 0 3 316.420 3.371 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001113596505 1082258402 /nfs/dbraw/zinc/25/84/02/1082258402.db2.gz MVIRZRUXEQBZTH-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCCC1CCOCC1 ZINC001266845003 1082260980 /nfs/dbraw/zinc/26/09/80/1082260980.db2.gz SAZKLYHGEPZEIA-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN CC(C)=CCN1CCCC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001266859760 1082275948 /nfs/dbraw/zinc/27/59/48/1082275948.db2.gz PDLWKWRHFXVGLJ-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccccc1CC ZINC001480898442 1082314679 /nfs/dbraw/zinc/31/46/79/1082314679.db2.gz OFXOLRVPCSJDMM-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN Cc1c(CC[NH3+])c(=O)[n-]n1C#C[Si](C(C)C)(C(C)C)C(C)C ZINC001170339635 1082355964 /nfs/dbraw/zinc/35/59/64/1082355964.db2.gz NOOFQIVJVZRQSK-UHFFFAOYSA-N 0 3 321.541 3.425 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCCCNCc1ncc(C)s1 ZINC001170424727 1082388164 /nfs/dbraw/zinc/38/81/64/1082388164.db2.gz DGXDEPOOGSEUAM-AWEZNQCLSA-N 0 3 321.490 3.020 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCCCNC/C(Cl)=C/Cl ZINC001170426623 1082393329 /nfs/dbraw/zinc/39/33/29/1082393329.db2.gz XILDRKQUPWCLJQ-UROBUVALSA-N 0 3 319.276 3.374 20 30 DGEDHN CCC(CC)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001267021739 1082440046 /nfs/dbraw/zinc/44/00/46/1082440046.db2.gz USYPZYWRGPKLLF-AWEZNQCLSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCCCNCc1csc(C)n1 ZINC001170454386 1082481115 /nfs/dbraw/zinc/48/11/15/1082481115.db2.gz ZHLMSCUYRHZTBS-AWEZNQCLSA-N 0 3 321.490 3.020 20 30 DGEDHN COC(=O)C1(C#N)CCN(CC[C@@H]2CC=C(C)C2(C)C)CC1 ZINC001207276456 1082489433 /nfs/dbraw/zinc/48/94/33/1082489433.db2.gz WZHVXKYTFUXDNT-HNNXBMFYSA-N 0 3 304.434 3.148 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)Cc1occc1C ZINC001267174278 1082598285 /nfs/dbraw/zinc/59/82/85/1082598285.db2.gz HBZGGJUIOYFZDL-HNNXBMFYSA-N 0 3 324.852 3.244 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001267197522 1082626050 /nfs/dbraw/zinc/62/60/50/1082626050.db2.gz NZJFKOCTVRTONY-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC=C(C)C)C2)C1 ZINC001131666769 1082700779 /nfs/dbraw/zinc/70/07/79/1082700779.db2.gz RQOTWEYPWHOZKG-IEBWSBKVSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001131909199 1082760433 /nfs/dbraw/zinc/76/04/33/1082760433.db2.gz UNFYQRAIBGOEOR-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131934533 1082764878 /nfs/dbraw/zinc/76/48/78/1082764878.db2.gz KSGPDBGAYJHHGX-HZPDHXFCSA-N 0 3 322.493 3.317 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CCCC1 ZINC001111517490 1082780145 /nfs/dbraw/zinc/78/01/45/1082780145.db2.gz CRJSNFWNFMLGMN-ZACQAIPSSA-N 0 3 302.462 3.421 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001131959366 1082782156 /nfs/dbraw/zinc/78/21/56/1082782156.db2.gz DKNPMWIUNANQJL-CRAIPNDOSA-N 0 3 320.477 3.049 20 30 DGEDHN CCc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)cc1 ZINC001132033860 1082797878 /nfs/dbraw/zinc/79/78/78/1082797878.db2.gz MHAUXEAHUOCXAE-OXQOHEQNSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CCCOCCCCC(=O)N[C@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132034874 1082799885 /nfs/dbraw/zinc/79/98/85/1082799885.db2.gz VYBOUSJDJBISRX-MSOLQXFVSA-N 0 3 322.493 3.295 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC001267327865 1082800925 /nfs/dbraw/zinc/80/09/25/1082800925.db2.gz CMJHTFQJUTWECZ-OLZOCXBDSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)N(CCOCC(C)C)C1 ZINC001132061761 1082804841 /nfs/dbraw/zinc/80/48/41/1082804841.db2.gz YLDNVNLCMPFJOT-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(COC)CCCCC2)CC[C@H]1C ZINC001132102575 1082817727 /nfs/dbraw/zinc/81/77/27/1082817727.db2.gz XONPTPZMQJBLGT-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(Cc3ccccc3)CC2)CC[C@H]1C ZINC001132110316 1082820593 /nfs/dbraw/zinc/82/05/93/1082820593.db2.gz HOEUFWSREOBRQX-IEBWSBKVSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(C)cc2)CC[C@H]1C ZINC001132169481 1082829674 /nfs/dbraw/zinc/82/96/74/1082829674.db2.gz PDKPTYYBHANGCW-MJGOQNOKSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@@H](C)c1ccncc1)c1ccccc1 ZINC001267362730 1082833848 /nfs/dbraw/zinc/83/38/48/1082833848.db2.gz VIRLUALBWHCTNI-APWZRJJASA-N 0 3 323.440 3.208 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cnco2)CC[C@@H]1C ZINC001132204848 1082842130 /nfs/dbraw/zinc/84/21/30/1082842130.db2.gz ZQACICYXIHZODR-LSDHHAIUSA-N 0 3 305.422 3.004 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOCCC(C)C)C1 ZINC001132228825 1082850353 /nfs/dbraw/zinc/85/03/53/1082850353.db2.gz WVDICRHXLCSOAM-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(CCC)CC2)[C@H](OC)C1 ZINC001213411970 1082851520 /nfs/dbraw/zinc/85/15/20/1082851520.db2.gz KOTOMWRECACCHK-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCOC(C)C)C2)CCC1 ZINC001132283387 1082865884 /nfs/dbraw/zinc/86/58/84/1082865884.db2.gz WRQHCTJYDPQEFO-SJORKVTESA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccc(C)cc2)CC[C@H]1C ZINC001132278785 1082868122 /nfs/dbraw/zinc/86/81/22/1082868122.db2.gz RATZJNLNZUOEAX-MJGOQNOKSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)N(CCOC(C)C)C2)CC1 ZINC001132293131 1082874664 /nfs/dbraw/zinc/87/46/64/1082874664.db2.gz ZHUGHRMAHNJWOC-AEFFLSMTSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001267423957 1082877314 /nfs/dbraw/zinc/87/73/14/1082877314.db2.gz YKJMWAHZKZYXDI-YESZJQIVSA-N 0 3 310.457 3.404 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001267423953 1082877329 /nfs/dbraw/zinc/87/73/29/1082877329.db2.gz YJGXHKDRCJHUML-BGYRXZFFSA-N 0 3 324.468 3.098 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCOCC(C)C)C1 ZINC001132331158 1082882926 /nfs/dbraw/zinc/88/29/26/1082882926.db2.gz MANNCAKEUVTZJL-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2nccs2)CC[C@H]1C ZINC001132375577 1082894612 /nfs/dbraw/zinc/89/46/12/1082894612.db2.gz FSKZKXVFDLXORL-CABCVRRESA-N 0 3 321.490 3.472 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC(C)(C)C2CC2)C1 ZINC001267460298 1082899473 /nfs/dbraw/zinc/89/94/73/1082899473.db2.gz UJFZEJVUYISTTQ-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(C)(C)[C@@H]21 ZINC001087262650 1082903325 /nfs/dbraw/zinc/90/33/25/1082903325.db2.gz GQKYAJKAYBEUPJ-GUDVDZBRSA-N 0 3 324.468 3.237 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416609 1082906888 /nfs/dbraw/zinc/90/68/88/1082906888.db2.gz IHNOXWKLCMNEOI-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001267465529 1082917321 /nfs/dbraw/zinc/91/73/21/1082917321.db2.gz GZJPXSUOQLPIJQ-BRWVUGGUSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCOc2ccccc2)CC[C@H]1C ZINC001132464229 1082918546 /nfs/dbraw/zinc/91/85/46/1082918546.db2.gz PHGGZPWVLBEMEV-SJORKVTESA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)C[C@@H]2CC[C@@H](C)O2)CCCCC1 ZINC001480949670 1082925756 /nfs/dbraw/zinc/92/57/56/1082925756.db2.gz LWFZOHKNLSDZFZ-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(C)o2)CC[C@H]1C ZINC001132513162 1082932300 /nfs/dbraw/zinc/93/23/00/1082932300.db2.gz PHFRCFIKWASMMD-GDBMZVCRSA-N 0 3 304.434 3.066 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cccc(F)c2F)CC[C@@H]1C ZINC001132545714 1082938766 /nfs/dbraw/zinc/93/87/66/1082938766.db2.gz FGEFHCMTIGJNNX-ZFWWWQNUSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C2(CC=C)CCCC2)CC[C@@H]1C ZINC001132546539 1082938886 /nfs/dbraw/zinc/93/88/86/1082938886.db2.gz NRJPSWPIHKRMOH-IRXDYDNUSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCOCC)C2)CCCC1 ZINC001132546532 1082939314 /nfs/dbraw/zinc/93/93/14/1082939314.db2.gz NGSGMONCBDERKT-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCCF)C2)CCCC1 ZINC001132545410 1082939588 /nfs/dbraw/zinc/93/95/88/1082939588.db2.gz BCBRWCYGKGGQEK-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(Cl)cc2)C1 ZINC001267488917 1082946002 /nfs/dbraw/zinc/94/60/02/1082946002.db2.gz RZCJZTXPHRMHQZ-KRWDZBQOSA-N 0 3 318.848 3.290 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001267496049 1082954224 /nfs/dbraw/zinc/95/42/24/1082954224.db2.gz KVSKJQXHKCKNRN-WZOJCFFYSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccccc1OC1CC1 ZINC001132659575 1082973218 /nfs/dbraw/zinc/97/32/18/1082973218.db2.gz ARAXBOMAUIUTMC-OAHLLOKOSA-N 0 3 316.445 3.036 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CCC2(CC2)CC1)c1ccccc1 ZINC001267519257 1082978724 /nfs/dbraw/zinc/97/87/24/1082978724.db2.gz COYZUNLOOWZIRJ-LJQANCHMSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](C)[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001132696228 1082983320 /nfs/dbraw/zinc/98/33/20/1082983320.db2.gz ICZLZZGVXCYFGO-UYMCOASYSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)c1cccs1)c1ccccc1 ZINC001267523470 1082984484 /nfs/dbraw/zinc/98/44/84/1082984484.db2.gz UXLQGJIJLCRREX-GDBMZVCRSA-N 0 3 314.454 3.485 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(C)c(C)c3)C(C)(C)[C@H]21 ZINC001087316928 1082988499 /nfs/dbraw/zinc/98/84/99/1082988499.db2.gz ZKKDXTWSWUKAOV-QYZOEREBSA-N 0 3 324.468 3.155 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cccn1C(C)C)c1ccccc1 ZINC001267527034 1082989993 /nfs/dbraw/zinc/98/99/93/1082989993.db2.gz ZVFLJMXHMFHESI-SFHVURJKSA-N 0 3 323.440 3.153 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001267546562 1083015917 /nfs/dbraw/zinc/01/59/17/1083015917.db2.gz AKQWSDFUDQMHOD-MRXNPFEDSA-N 0 3 303.450 3.134 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCCCNC/C(Cl)=C\Cl ZINC001170647275 1083041600 /nfs/dbraw/zinc/04/16/00/1083041600.db2.gz FBJXTWGIRNDCMD-LFGHMXSPSA-N 0 3 319.276 3.229 20 30 DGEDHN CCc1ccc(CN(CC)CCNC(=O)C#CC(C)(C)C)cc1 ZINC001480974749 1083056790 /nfs/dbraw/zinc/05/67/90/1083056790.db2.gz UTDQLYUHGKTROG-UHFFFAOYSA-N 0 3 314.473 3.237 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccc(F)c2C)C1 ZINC001086701483 1083063223 /nfs/dbraw/zinc/06/32/23/1083063223.db2.gz ZLNWUHAOBXWDTB-UONOGXRCSA-N 0 3 324.827 3.375 20 30 DGEDHN N=C(N[C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc(Cl)cn1 ZINC001170665420 1083068115 /nfs/dbraw/zinc/06/81/15/1083068115.db2.gz LPWSLLCGZHZIBP-GFCCVEGCSA-N 0 3 321.758 3.276 20 30 DGEDHN C=C1CCC(C(=O)NCCN[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001133365527 1083106499 /nfs/dbraw/zinc/10/64/99/1083106499.db2.gz VPNUJABURYYQBM-ZDUSSCGKSA-N 0 3 322.399 3.478 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)CC ZINC001133382652 1083111330 /nfs/dbraw/zinc/11/13/30/1083111330.db2.gz SQZPKUHTOLBOBI-OAHLLOKOSA-N 0 3 320.864 3.328 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)/C(C)=C/CC ZINC001133385150 1083112249 /nfs/dbraw/zinc/11/22/49/1083112249.db2.gz AHXPHHXIMHVXOZ-VIZOYTHASA-N 0 3 318.848 3.248 20 30 DGEDHN CCCCCC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481077339 1083151454 /nfs/dbraw/zinc/15/14/54/1083151454.db2.gz QTZWCZUVEYQPJI-GOSISDBHSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001481104364 1083177309 /nfs/dbraw/zinc/17/73/09/1083177309.db2.gz APZBMOKNODOLMB-OAHLLOKOSA-N 0 3 318.436 3.284 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133767897 1083193957 /nfs/dbraw/zinc/19/39/57/1083193957.db2.gz BLZQDUACPYMDFE-LSDHHAIUSA-N 0 3 315.461 3.367 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001133884636 1083206030 /nfs/dbraw/zinc/20/60/30/1083206030.db2.gz RWAHQXRMRFORIV-NWDGAFQWSA-N 0 3 309.479 3.099 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001133888815 1083207406 /nfs/dbraw/zinc/20/74/06/1083207406.db2.gz NADYVFCKXSLDFM-QWHCGFSZSA-N 0 3 309.841 3.074 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc2ccccc2o1 ZINC001133889301 1083208057 /nfs/dbraw/zinc/20/80/57/1083208057.db2.gz UJPYNNCJVQZGEJ-KBPBESRZSA-N 0 3 315.417 3.167 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2cscc2s1 ZINC001481142312 1083209294 /nfs/dbraw/zinc/20/92/94/1083209294.db2.gz BQWWACIPVHYIPB-UHFFFAOYSA-N 0 3 306.456 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001267617974 1083216400 /nfs/dbraw/zinc/21/64/00/1083216400.db2.gz VXWGFWOQMRVYPB-CRAIPNDOSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c(C)[nH]c2ccccc21)C1CC1 ZINC001481176970 1083225621 /nfs/dbraw/zinc/22/56/21/1083225621.db2.gz WJYJNGRVTIVLJB-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001087379533 1083231293 /nfs/dbraw/zinc/23/12/93/1083231293.db2.gz FZVZMBKTIHWAAH-VPUMAWAVSA-N 0 3 322.880 3.120 20 30 DGEDHN C=CCN(CCNC(=O)C(C)(C)Cc1ccccc1)C1CC1 ZINC001481192849 1083235234 /nfs/dbraw/zinc/23/52/34/1083235234.db2.gz BDUGDVSHXUKOJM-UHFFFAOYSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1c(F)cccc1Cl)C1CC1 ZINC001481195404 1083237783 /nfs/dbraw/zinc/23/77/83/1083237783.db2.gz BQPRZADIEJLZPC-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)C(F)=C(C)C ZINC001134081188 1083238103 /nfs/dbraw/zinc/23/81/03/1083238103.db2.gz FHSJGRFMCQEEEC-WDEREUQCSA-N 0 3 321.234 3.031 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001134201408 1083256557 /nfs/dbraw/zinc/25/65/57/1083256557.db2.gz OSPOHYCFBNKJQP-KBPBESRZSA-N 0 3 322.399 3.141 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CN(C)Cc2cnc(C)s2)C1 ZINC001267683063 1083261637 /nfs/dbraw/zinc/26/16/37/1083261637.db2.gz JBAHJIQAQPPFJK-OAHLLOKOSA-N 0 3 321.490 3.088 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)/C=C(/C)CC ZINC001134285480 1083267708 /nfs/dbraw/zinc/26/77/08/1083267708.db2.gz SNNYOQUSFPBMAF-JSQQBDPTSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001267724028 1083283790 /nfs/dbraw/zinc/28/37/90/1083283790.db2.gz QRGXVCWLRBXPLB-INIZCTEOSA-N 0 3 320.502 3.474 20 30 DGEDHN N#Cc1cccc(CNCCNC(=O)CC2CCCCCC2)c1 ZINC001134410467 1083284987 /nfs/dbraw/zinc/28/49/87/1083284987.db2.gz RNXIKMPNTBPLIF-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001134410526 1083285066 /nfs/dbraw/zinc/28/50/66/1083285066.db2.gz WDTJDQVXUFEZPM-UHFFFAOYSA-N 0 3 318.461 3.282 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001134475323 1083297350 /nfs/dbraw/zinc/29/73/50/1083297350.db2.gz BAAODJRRRQHDPB-CVEARBPZSA-N 0 3 320.481 3.193 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001134476821 1083298054 /nfs/dbraw/zinc/29/80/54/1083298054.db2.gz YDDMXXWCVIGGMK-KBPBESRZSA-N 0 3 321.465 3.275 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001134476823 1083298211 /nfs/dbraw/zinc/29/82/11/1083298211.db2.gz YDDMXXWCVIGGMK-UONOGXRCSA-N 0 3 321.465 3.275 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](N(C)C(=O)C#CC(C)(C)C)C2)cc1 ZINC001267761711 1083325815 /nfs/dbraw/zinc/32/58/15/1083325815.db2.gz KPHPNYYADVEYGK-GOSISDBHSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CCOC(C)C)C2)CCCC1 ZINC001267779002 1083341550 /nfs/dbraw/zinc/34/15/50/1083341550.db2.gz LHOYJWXQAFYTAS-KRWDZBQOSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N(CC)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001267781341 1083343503 /nfs/dbraw/zinc/34/35/03/1083343503.db2.gz GEWFGBPZFDZIBK-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCc2ccc(C)s2)C1 ZINC001267794640 1083351489 /nfs/dbraw/zinc/35/14/89/1083351489.db2.gz QGFOYQWVAYTNNC-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)CC)NCc1ccc(C#N)c(F)c1 ZINC001267817091 1083373543 /nfs/dbraw/zinc/37/35/43/1083373543.db2.gz JGODIEFDWYTPPU-OAHLLOKOSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1sccc1F)C1CC1 ZINC001267854696 1083453665 /nfs/dbraw/zinc/45/36/65/1083453665.db2.gz RRZAZRJRFRZPKT-CQSZACIVSA-N 0 3 316.829 3.128 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CCC(=C)CC1)C1CC1 ZINC001267858072 1083459710 /nfs/dbraw/zinc/45/97/10/1083459710.db2.gz LYRGSWVJPHKIQK-QGZVFWFLSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccn(C)c2)CCCC[C@@H]1C ZINC001267866202 1083480173 /nfs/dbraw/zinc/48/01/73/1083480173.db2.gz KECOXAVFXTVRJH-GUYCJALGSA-N 0 3 323.868 3.046 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CCNCc2cscn2)CC1 ZINC001267912021 1083554851 /nfs/dbraw/zinc/55/48/51/1083554851.db2.gz IJGVRCQBRPGGEF-UHFFFAOYSA-N 0 3 321.490 3.074 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H]2CCC[C@@H]2C)cc1 ZINC001267937871 1083601482 /nfs/dbraw/zinc/60/14/82/1083601482.db2.gz AQWVHJSMDQKUCO-QFBILLFUSA-N 0 3 312.457 3.242 20 30 DGEDHN CCCCN(CC)[C@H](C(=O)N(C)[C@@H](C)C#N)c1ccccc1 ZINC001182236246 1083650194 /nfs/dbraw/zinc/65/01/94/1083650194.db2.gz WPNWTHOMGOPHRQ-RDJZCZTQSA-N 0 3 301.434 3.220 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)SC)C2 ZINC001110316402 1083741959 /nfs/dbraw/zinc/74/19/59/1083741959.db2.gz IQJRKNXCERIKNR-JJXSEGSLSA-N 0 3 310.507 3.206 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)OC)c1ccc(C(C)C)cc1 ZINC001481357413 1083816187 /nfs/dbraw/zinc/81/61/87/1083816187.db2.gz CJZPGVYUMXEDHG-QAPCUYQASA-N 0 3 318.461 3.168 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccccc1CC)c1ccccc1 ZINC001481368923 1083829495 /nfs/dbraw/zinc/82/94/95/1083829495.db2.gz KMSHDTBHNVCLLF-IBGZPJMESA-N 0 3 308.425 3.496 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1cc(C)ccc1C)c1ccccc1 ZINC001481368165 1083830911 /nfs/dbraw/zinc/83/09/11/1083830911.db2.gz CFFOXXXZXNZFTB-FQEVSTJZSA-N 0 3 322.452 3.479 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CCC=CCC1)c1ccccc1 ZINC001481371305 1083831105 /nfs/dbraw/zinc/83/11/05/1083831105.db2.gz CRCCZJKKQPNBJD-LJQANCHMSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001182893303 1083833742 /nfs/dbraw/zinc/83/37/42/1083833742.db2.gz GHEYZFFNDIFUFJ-CQSZACIVSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 ZINC001481374336 1083836738 /nfs/dbraw/zinc/83/67/38/1083836738.db2.gz MDTFGAQZCMMHEN-YVZJPGBNSA-N 0 3 312.457 3.446 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(C)ccc2OC)C1 ZINC001182946821 1083842007 /nfs/dbraw/zinc/84/20/07/1083842007.db2.gz CNGIDLOGZCTCAC-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cscc2Cl)C1 ZINC001481399741 1083867756 /nfs/dbraw/zinc/86/77/56/1083867756.db2.gz FVQGFUNXTWNFHS-ZDUSSCGKSA-N 0 3 324.877 3.351 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2coc(C3CC3)n2)C1 ZINC001481405864 1083875511 /nfs/dbraw/zinc/87/55/11/1083875511.db2.gz CPYTXHBWOPOQNS-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccn2C(C)C)C1 ZINC001481411365 1083884399 /nfs/dbraw/zinc/88/43/99/1083884399.db2.gz CTRMCIMXUDYJOX-QGZVFWFLSA-N 0 3 315.461 3.019 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@]2(C)C(C)C)CCCC1 ZINC001268041490 1083963926 /nfs/dbraw/zinc/96/39/26/1083963926.db2.gz XZFLWQZSTFVAIG-GDBMZVCRSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001481488569 1084006431 /nfs/dbraw/zinc/00/64/31/1084006431.db2.gz UNRHYMUMKPEISP-HXUWFJFHSA-N 0 3 324.468 3.175 20 30 DGEDHN C/C=C(\C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001268055750 1084050727 /nfs/dbraw/zinc/05/07/27/1084050727.db2.gz CGTIWVSNPBEEGG-JVDKPVQESA-N 0 3 318.848 3.094 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001268056082 1084052360 /nfs/dbraw/zinc/05/23/60/1084052360.db2.gz ZUIVXIMYKAIOFY-SJKOYZFVSA-N 0 3 322.399 3.355 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(CC)c2)C1 ZINC001481524793 1084072817 /nfs/dbraw/zinc/07/28/17/1084072817.db2.gz SSUWXWNEDWCSBT-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183961203 1084074226 /nfs/dbraw/zinc/07/42/26/1084074226.db2.gz XNUBFCPTAZRKOR-JKSUJKDBSA-N 0 3 316.445 3.046 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCc2ccsc2)C1 ZINC001481535574 1084100704 /nfs/dbraw/zinc/10/07/04/1084100704.db2.gz YSDHCCQQSCJJMD-INIZCTEOSA-N 0 3 306.475 3.228 20 30 DGEDHN N#C[C@H]1CC[C@H](Nc2cccc3cc([C@H]4CNCCO4)cn32)CC1 ZINC001167844694 1084199178 /nfs/dbraw/zinc/19/91/78/1084199178.db2.gz KKXNVHXTTGUKIF-QGPMSJSTSA-N 0 3 324.428 3.094 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2nccs2)[C@@H](C)C1 ZINC001184499311 1084202341 /nfs/dbraw/zinc/20/23/41/1084202341.db2.gz YWOCRGZGHRGGEO-GJZGRUSLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cnccc1C ZINC001268147772 1084236026 /nfs/dbraw/zinc/23/60/26/1084236026.db2.gz BIAJFOJFXNHHNN-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001268169317 1084274710 /nfs/dbraw/zinc/27/47/10/1084274710.db2.gz GRCXKUMGDSOMAT-SFHVURJKSA-N 0 3 323.440 3.282 20 30 DGEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CC(F)(F)F)C2 ZINC001273494969 1084300963 /nfs/dbraw/zinc/30/09/63/1084300963.db2.gz KNAWPNDEQORNFG-HNNXBMFYSA-N 0 3 318.383 3.362 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001185006491 1084308818 /nfs/dbraw/zinc/30/88/18/1084308818.db2.gz BKMRMGDRMKZNJK-HZPDHXFCSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001185056668 1084323884 /nfs/dbraw/zinc/32/38/84/1084323884.db2.gz RSPIWOAQDKAKRM-SWLSCSKDSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1cc(C)ccc1F)C(C)C ZINC001268206225 1084325551 /nfs/dbraw/zinc/32/55/51/1084325551.db2.gz QIEVGPQYATTZIZ-QGZVFWFLSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001185071298 1084344540 /nfs/dbraw/zinc/34/45/40/1084344540.db2.gz RUFRRTLBUJHEDX-SUMWQHHRSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCC[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2 ZINC001110358491 1084372673 /nfs/dbraw/zinc/37/26/73/1084372673.db2.gz UYKHDFZPHZCNGZ-NGFQHRJXSA-N 0 3 319.474 3.141 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001268238605 1084387242 /nfs/dbraw/zinc/38/72/42/1084387242.db2.gz FPMVQARXUBIGSJ-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001268244555 1084397044 /nfs/dbraw/zinc/39/70/44/1084397044.db2.gz DGNAXJUVQTYDFZ-UHFFFAOYSA-N 0 3 300.446 3.079 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001268253218 1084413196 /nfs/dbraw/zinc/41/31/96/1084413196.db2.gz MOTCHFPPORHXNL-MJGOQNOKSA-N 0 3 300.446 3.147 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1C ZINC001481672611 1084467102 /nfs/dbraw/zinc/46/71/02/1084467102.db2.gz YSPZJOKMKVBTBS-PMACEKPBSA-N 0 3 324.468 3.016 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC=C)CCCCC1 ZINC001481684720 1084473879 /nfs/dbraw/zinc/47/38/79/1084473879.db2.gz XLBPEKGFKZCXAK-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001481718979 1084528195 /nfs/dbraw/zinc/52/81/95/1084528195.db2.gz GNYHWHBZLCIGPS-QGZVFWFLSA-N 0 3 311.429 3.167 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nccc2ccsc21 ZINC001268373047 1084538193 /nfs/dbraw/zinc/53/81/93/1084538193.db2.gz KHNLHYHLPJICHV-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2ncccc21 ZINC001268382311 1084546666 /nfs/dbraw/zinc/54/66/66/1084546666.db2.gz BWPPENPUBBAGCP-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1c(C)onc1CC ZINC001268388704 1084550679 /nfs/dbraw/zinc/55/06/79/1084550679.db2.gz FMCGTBLFJUOLLW-CYBMUJFWSA-N 0 3 321.465 3.132 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCNCc2nc(C)cs2)CC1 ZINC001268398444 1084562180 /nfs/dbraw/zinc/56/21/80/1084562180.db2.gz ZIKMEVLVQLQMQX-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CCC)c2ccccc2)C1 ZINC001481750555 1084575774 /nfs/dbraw/zinc/57/57/74/1084575774.db2.gz OMTSVFAPQUJIAC-RTBURBONSA-N 0 3 312.457 3.126 20 30 DGEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CCC)CC2CCCCC2)C1 ZINC001186050044 1084583396 /nfs/dbraw/zinc/58/33/96/1084583396.db2.gz XEXCWKOHJULLKN-ZWKOTPCHSA-N 0 3 304.478 3.197 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001268423505 1084589495 /nfs/dbraw/zinc/58/94/95/1084589495.db2.gz HNUNSZWDNZAFEJ-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)Cc1ccccc1C ZINC001268427775 1084591778 /nfs/dbraw/zinc/59/17/78/1084591778.db2.gz IBBWTSKFXRBWHU-ZBFHGGJFSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCSc2ccccc21 ZINC001139869348 1084617320 /nfs/dbraw/zinc/61/73/20/1084617320.db2.gz GKFGHYBFRSRTDW-MRXNPFEDSA-N 0 3 318.486 3.232 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001481808189 1084645674 /nfs/dbraw/zinc/64/56/74/1084645674.db2.gz MLOVOXUOLSSMRM-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@H](CNC(=O)C#CC1CC1)N[C@@H](C)c1ccccc1Cl ZINC001481811212 1084649423 /nfs/dbraw/zinc/64/94/23/1084649423.db2.gz NSOJUTHWOBTJDH-DZGCQCFKSA-N 0 3 318.848 3.299 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001268470746 1084677326 /nfs/dbraw/zinc/67/73/26/1084677326.db2.gz FRRXUVKKYBXSTO-OMCISZLKSA-N 0 3 311.429 3.019 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1ccc(C)nc1C ZINC001268476272 1084690094 /nfs/dbraw/zinc/69/00/94/1084690094.db2.gz HCCYQTTXXLTTKY-IBGZPJMESA-N 0 3 317.477 3.239 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1sccc1C)C1CC1 ZINC001481919964 1084705776 /nfs/dbraw/zinc/70/57/76/1084705776.db2.gz WIIMYNZNHHAWLJ-OAHLLOKOSA-N 0 3 312.866 3.297 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001211776449 1084742232 /nfs/dbraw/zinc/74/22/32/1084742232.db2.gz JVSHZWCLMQYYGY-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC001187083684 1084755042 /nfs/dbraw/zinc/75/50/42/1084755042.db2.gz LGGGHXJVMAMSIN-LJQANCHMSA-N 0 3 310.441 3.172 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccc(CCC)cc2)cc1 ZINC001482033869 1084786274 /nfs/dbraw/zinc/78/62/74/1084786274.db2.gz AZSALAWWHBADIP-UHFFFAOYSA-N 0 3 320.436 3.292 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC001268545872 1084799163 /nfs/dbraw/zinc/79/91/63/1084799163.db2.gz VVPLKVWOSAGVIE-DDKKJVIOSA-N 0 3 316.420 3.431 20 30 DGEDHN C[C@@H](CNCc1ccc(F)c(Cl)c1)NC(=O)C#CC(C)(C)C ZINC001268686032 1084945650 /nfs/dbraw/zinc/94/56/50/1084945650.db2.gz PCAOKKKLKRIEMK-LBPRGKRZSA-N 0 3 324.827 3.123 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001268702173 1084956844 /nfs/dbraw/zinc/95/68/44/1084956844.db2.gz WQMMSAHOGYFZJB-HNNXBMFYSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1coc2ccc(CC)cc21 ZINC001268729291 1084991183 /nfs/dbraw/zinc/99/11/83/1084991183.db2.gz CRLLVFAQIGMOPZ-CYBMUJFWSA-N 0 3 300.402 3.231 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCc1csc(C)n1 ZINC001268739672 1085004169 /nfs/dbraw/zinc/00/41/69/1085004169.db2.gz CSHSRILYFATMOY-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](CC)Cc1ccccc1C ZINC001268750484 1085021942 /nfs/dbraw/zinc/02/19/42/1085021942.db2.gz BJOLMRWRJGROMD-IAGOWNOFSA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](CC)Cc1ccccc1C ZINC001268750485 1085023244 /nfs/dbraw/zinc/02/32/44/1085023244.db2.gz BJOLMRWRJGROMD-IRXDYDNUSA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1oc2c(cccc2C)c1C ZINC001268758437 1085035291 /nfs/dbraw/zinc/03/52/91/1085035291.db2.gz CPIZYOXGTGFMIV-ZDUSSCGKSA-N 0 3 300.402 3.286 20 30 DGEDHN C=CCCCC(=O)NCC1CN(CC[C@H]2CCCC2(F)F)C1 ZINC001268867966 1085071595 /nfs/dbraw/zinc/07/15/95/1085071595.db2.gz XWJNNCJISBMSOY-OAHLLOKOSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001268934977 1085084410 /nfs/dbraw/zinc/08/44/10/1085084410.db2.gz MZXQNDXDOGIHOU-KBMXLJTQSA-N 0 3 302.418 3.150 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001268983568 1085095112 /nfs/dbraw/zinc/09/51/12/1085095112.db2.gz BBTPWTXICAIJHK-HOTGVXAUSA-N 0 3 304.821 3.205 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1scnc1C)C1CC1 ZINC001269121058 1085135796 /nfs/dbraw/zinc/13/57/96/1085135796.db2.gz ZONXNZWYGXPYON-AWEZNQCLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(C)no2)[C@H](CC)C1 ZINC001269169904 1085177321 /nfs/dbraw/zinc/17/73/21/1085177321.db2.gz SRXVJNRLJKELMF-WBVHZDCISA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001269224260 1085216975 /nfs/dbraw/zinc/21/69/75/1085216975.db2.gz UHROXZLPNGSJLU-GOSISDBHSA-N 0 3 312.457 3.106 20 30 DGEDHN CN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001269241895 1085231397 /nfs/dbraw/zinc/23/13/97/1085231397.db2.gz ZQDYUYXHBYGPLN-HXUWFJFHSA-N 0 3 322.452 3.010 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001269247909 1085233726 /nfs/dbraw/zinc/23/37/26/1085233726.db2.gz KZVUNIMYHOEWRS-HOCLYGCPSA-N 0 3 316.445 3.317 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC001269255671 1085239868 /nfs/dbraw/zinc/23/98/68/1085239868.db2.gz SECHTBGNOGPLCU-DUMMIQTOSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001269260963 1085242340 /nfs/dbraw/zinc/24/23/40/1085242340.db2.gz MAHMUPMTAPUMPU-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001269269217 1085254068 /nfs/dbraw/zinc/25/40/68/1085254068.db2.gz WCNNTVDJZUSQAG-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001269273838 1085256868 /nfs/dbraw/zinc/25/68/68/1085256868.db2.gz CNDBLJBOSAYMID-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001269278938 1085263290 /nfs/dbraw/zinc/26/32/90/1085263290.db2.gz SBFVWLUIRDYWNY-IEBWSBKVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C[C@H](C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001269295500 1085276790 /nfs/dbraw/zinc/27/67/90/1085276790.db2.gz FYNUAAHNNMVAGS-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccc(OC)cc2)CC1 ZINC001269464148 1085400826 /nfs/dbraw/zinc/40/08/26/1085400826.db2.gz HWFWOWQKKUCOQF-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001269480218 1085410766 /nfs/dbraw/zinc/41/07/66/1085410766.db2.gz CWCLIEGANLOUJD-UHFFFAOYSA-N 0 3 306.837 3.435 20 30 DGEDHN N#Cc1cccc(CNC2(CNC(=O)C3CCC=CCC3)CC2)c1 ZINC001269535472 1085451260 /nfs/dbraw/zinc/45/12/60/1085451260.db2.gz NRZKNOCUIMYZQE-UHFFFAOYSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001482243366 1085565936 /nfs/dbraw/zinc/56/59/36/1085565936.db2.gz MDMMMNGSNATPTG-QGZVFWFLSA-N 0 3 304.478 3.479 20 30 DGEDHN CC(C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001482251190 1085611717 /nfs/dbraw/zinc/61/17/17/1085611717.db2.gz PFGRHCDNXHXYLQ-OAHLLOKOSA-N 0 3 320.864 3.174 20 30 DGEDHN CC/C(C)=C/C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001270042383 1085668113 /nfs/dbraw/zinc/66/81/13/1085668113.db2.gz JFYSJXJHOVPUAS-SSUFTNFISA-N 0 3 317.458 3.057 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc(F)ccc2CC)cc1 ZINC001270065319 1085676977 /nfs/dbraw/zinc/67/69/77/1085676977.db2.gz KXWHDRDTJNQIJK-UHFFFAOYSA-N 0 3 324.399 3.041 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C)cc1 ZINC001270071063 1085679404 /nfs/dbraw/zinc/67/94/04/1085679404.db2.gz KUPBKPLXVRSXDE-LPHOPBHVSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C1CC(C)(C(=O)NCCC2CCN(C/C=C/Cl)CC2)C1 ZINC001270137437 1085707717 /nfs/dbraw/zinc/70/77/17/1085707717.db2.gz AITQUDVXYQPIKZ-XVNBXDOJSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CN[C@H](C)c1ccccc1F ZINC001270183946 1085724318 /nfs/dbraw/zinc/72/43/18/1085724318.db2.gz DABBISUQNYRVFT-HUUCEWRRSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001270258781 1085752608 /nfs/dbraw/zinc/75/26/08/1085752608.db2.gz FCMXNQKPPMJNPL-MRXNPFEDSA-N 0 3 322.399 3.402 20 30 DGEDHN C#CCNC[C@@H](NC(=O)CCC1CC1)c1ccc2ccccc2c1 ZINC001270369140 1085788681 /nfs/dbraw/zinc/78/86/81/1085788681.db2.gz MCLMUVDWYLPFQK-HXUWFJFHSA-N 0 3 320.436 3.410 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cc(F)ccc1OC ZINC001482287686 1085805290 /nfs/dbraw/zinc/80/52/90/1085805290.db2.gz SHNNWZCHCIZSCO-CQSZACIVSA-N 0 3 322.424 3.127 20 30 DGEDHN CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001270502391 1085834896 /nfs/dbraw/zinc/83/48/96/1085834896.db2.gz VKPPPQROEPJLNV-TWMKSMIVSA-N 0 3 305.466 3.038 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCCCc2ccccc2)C1 ZINC001270623411 1085893274 /nfs/dbraw/zinc/89/32/74/1085893274.db2.gz GYNBFNBGGFWWMC-IBGZPJMESA-N 0 3 300.446 3.166 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@](C)(CNCc2ncc(C)s2)C1 ZINC001270727479 1085965639 /nfs/dbraw/zinc/96/56/39/1085965639.db2.gz QOXMHZDZURRJHK-KRWDZBQOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cncc(CC)c2)CCCC1 ZINC001270771979 1085987982 /nfs/dbraw/zinc/98/79/82/1085987982.db2.gz RULFKOVHTOULJJ-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCCC)CC1 ZINC001105387286 1086089508 /nfs/dbraw/zinc/08/95/08/1086089508.db2.gz RTWGIWJCBLIMPL-LJQANCHMSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001105388778 1086124989 /nfs/dbraw/zinc/12/49/89/1086124989.db2.gz BSSDDAOSFPBXQC-SJLPKXTDSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccoc2C2CC2)C1 ZINC001270981767 1086230430 /nfs/dbraw/zinc/23/04/30/1086230430.db2.gz BFPHIQVNNQOFLU-GOSISDBHSA-N 0 3 302.418 3.175 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001270990971 1086236460 /nfs/dbraw/zinc/23/64/60/1086236460.db2.gz HQNWPABYMVLKAM-SFHVURJKSA-N 0 3 322.399 3.291 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001270998653 1086238495 /nfs/dbraw/zinc/23/84/95/1086238495.db2.gz GSUNARNWORVWHP-MAUKXSAKSA-N 0 3 304.434 3.096 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CCCC#CC ZINC001482454077 1086279799 /nfs/dbraw/zinc/27/97/99/1086279799.db2.gz FFQLQOMVYZNILQ-INIZCTEOSA-N 0 3 310.869 3.293 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001271083961 1086281824 /nfs/dbraw/zinc/28/18/24/1086281824.db2.gz UCFWFMOCFUAMPW-CYBMUJFWSA-N 0 3 309.841 3.028 20 30 DGEDHN Cc1cc(F)cc(CN2CCCN(c3ccc(C#N)cn3)CC2)c1 ZINC001143590101 1086321571 /nfs/dbraw/zinc/32/15/71/1086321571.db2.gz NSNDDSNSJVTCRZ-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OCCC)c2)[C@H]1CC ZINC001087593225 1086321753 /nfs/dbraw/zinc/32/17/53/1086321753.db2.gz WOPKDPORNCNXDL-ZWKOTPCHSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(COC)cs2)[C@H]1CC ZINC001087643170 1086337089 /nfs/dbraw/zinc/33/70/89/1086337089.db2.gz CPPCRZXXVLQJGU-LSDHHAIUSA-N 0 3 322.474 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)[C@H]1CC ZINC001087835363 1086435154 /nfs/dbraw/zinc/43/51/54/1086435154.db2.gz WVSFATYSESRGIL-AFAVFJNCSA-N 0 3 322.399 3.223 20 30 DGEDHN CC(C)CC(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001271248351 1086556280 /nfs/dbraw/zinc/55/62/80/1086556280.db2.gz XQIFMFXWDLROGB-CQSZACIVSA-N 0 3 321.490 3.286 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1CC ZINC001271444503 1086633314 /nfs/dbraw/zinc/63/33/14/1086633314.db2.gz ATANQNXNHULSCU-IBGZPJMESA-N 0 3 324.468 3.209 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1CC(C)C1)c1ccccc1CC ZINC001271446726 1086636094 /nfs/dbraw/zinc/63/60/94/1086636094.db2.gz OOIYPCDLJLDIFU-PVARCSIZSA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@H](C)NCc2nc(C)cs2)C1 ZINC001271625418 1086691969 /nfs/dbraw/zinc/69/19/69/1086691969.db2.gz HHDSZQMZEWBWSL-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cnc(C)o2)C1 ZINC001271634738 1086692487 /nfs/dbraw/zinc/69/24/87/1086692487.db2.gz IAHLCAKGEAVKII-GDBMZVCRSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccccc2)C1 ZINC001088253385 1086722507 /nfs/dbraw/zinc/72/25/07/1086722507.db2.gz PPHYBYXFUDGQRE-INIZCTEOSA-N 0 3 306.837 3.414 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001088259802 1086728704 /nfs/dbraw/zinc/72/87/04/1086728704.db2.gz PTNWIDKBVWCZKH-JKSUJKDBSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001088260702 1086735605 /nfs/dbraw/zinc/73/56/05/1086735605.db2.gz LWPBQTGGYSWOIU-JKSUJKDBSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2ccc(C)o2)C1 ZINC001088298973 1086775037 /nfs/dbraw/zinc/77/50/37/1086775037.db2.gz AOQMVRZAKVURPS-HNNXBMFYSA-N 0 3 324.852 3.244 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001271830507 1086785821 /nfs/dbraw/zinc/78/58/21/1086785821.db2.gz SHNILXUOEBXKQI-PKOBYXMFSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088320928 1086791379 /nfs/dbraw/zinc/79/13/79/1086791379.db2.gz QTFUMUMCVQBRMU-ZDUSSCGKSA-N 0 3 304.837 3.095 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1cnc(C)s1)C(C)C ZINC001482535039 1086795212 /nfs/dbraw/zinc/79/52/12/1086795212.db2.gz UUVOZXKCYPLRAA-OAHLLOKOSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C[C@@H](C(=O)N1CCCCC[C@@H](NCCF)C1)c1ccccc1 ZINC001088429220 1086930116 /nfs/dbraw/zinc/93/01/16/1086930116.db2.gz LXCODVDRUQVFEC-QZTJIDSGSA-N 0 3 318.436 3.287 20 30 DGEDHN C[C@H]1C[C@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001168143748 1086984007 /nfs/dbraw/zinc/98/40/07/1086984007.db2.gz LGGOOUAYFWUJLG-LSDHHAIUSA-N 0 3 302.393 3.250 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C)[C@H](C)C1 ZINC001168202122 1087051863 /nfs/dbraw/zinc/05/18/63/1087051863.db2.gz QSKAZFDTEMOBQB-CBYDULDESA-N 0 3 319.493 3.284 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCO[C@@H]1CCCC[C@H]1C ZINC001272080385 1087083604 /nfs/dbraw/zinc/08/36/04/1087083604.db2.gz MJTZGRHFSOHCCM-IAGOWNOFSA-N 0 3 324.509 3.184 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN(C)Cc2ccc(C)cc2)cc1 ZINC001272080398 1087083988 /nfs/dbraw/zinc/08/39/88/1087083988.db2.gz MVBGHBOGJAZJAY-UHFFFAOYSA-N 0 3 320.436 3.180 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001482632344 1087095740 /nfs/dbraw/zinc/09/57/40/1087095740.db2.gz SDFCOTRCXNQVCR-GOSISDBHSA-N 0 3 302.462 3.140 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001482632345 1087096107 /nfs/dbraw/zinc/09/61/07/1087096107.db2.gz SDFCOTRCXNQVCR-SFHVURJKSA-N 0 3 302.462 3.140 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 ZINC001211957038 1087099719 /nfs/dbraw/zinc/09/97/19/1087099719.db2.gz MNSCLWQBPLCHQV-ARBVUSPFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccsc1C(F)F ZINC001482645901 1087100474 /nfs/dbraw/zinc/10/04/74/1087100474.db2.gz KYMZPYVYWXQBII-UHFFFAOYSA-N 0 3 302.390 3.266 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(OCCC)c2)[C@H]1C ZINC001088601861 1087124267 /nfs/dbraw/zinc/12/42/67/1087124267.db2.gz OIGPYEQXHVXHIV-QAPCUYQASA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2c1CCCC2 ZINC001482833869 1087167601 /nfs/dbraw/zinc/16/76/01/1087167601.db2.gz JVFZYFHXKSGDCU-AWEZNQCLSA-N 0 3 320.864 3.416 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001483013175 1087234690 /nfs/dbraw/zinc/23/46/90/1087234690.db2.gz URELOBAMWBHWCQ-BQYQJAHWSA-N 0 3 315.461 3.063 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)[C@H]1C ZINC001088660172 1087248944 /nfs/dbraw/zinc/24/89/44/1087248944.db2.gz PBEXBMPLDNLBRJ-WBMJQRKESA-N 0 3 313.445 3.148 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@H]1C ZINC001088703462 1087303705 /nfs/dbraw/zinc/30/37/05/1087303705.db2.gz GJRNHRRBXPDMOL-DYVFJYSZSA-N 0 3 304.409 3.157 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2coc3cc(C)c(C)cc23)[C@H]1C ZINC001088772079 1087347626 /nfs/dbraw/zinc/34/76/26/1087347626.db2.gz LGLXSXJMIQOYOT-QAPCUYQASA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CCCCC2)C1 ZINC001102643527 1087414579 /nfs/dbraw/zinc/41/45/79/1087414579.db2.gz YXOJKMNAVIMDPF-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN[C@H](C)c2ccccc2F)cc1 ZINC001483255031 1087451531 /nfs/dbraw/zinc/45/15/31/1087451531.db2.gz LJVOCDPMPWKJMP-LSDHHAIUSA-N 0 3 324.399 3.276 20 30 DGEDHN C[C@H](CN(C)[C@H](C)c1cccc(F)c1)NC(=O)C#CC(C)(C)C ZINC001483336869 1087474817 /nfs/dbraw/zinc/47/48/17/1087474817.db2.gz XFOHLBHVBHGCLG-HUUCEWRRSA-N 0 3 318.436 3.373 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001483372906 1087483512 /nfs/dbraw/zinc/48/35/12/1087483512.db2.gz QKILXXFWEBZQFK-CYBMUJFWSA-N 0 3 308.853 3.489 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001483455797 1087507969 /nfs/dbraw/zinc/50/79/69/1087507969.db2.gz DJXNFTVBHHGNRU-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCNCc1oc(C(C)C)nc1C ZINC001483484926 1087512535 /nfs/dbraw/zinc/51/25/35/1087512535.db2.gz VQDHTJYWHYVBGY-UHFFFAOYSA-N 0 3 321.465 3.257 20 30 DGEDHN C#CCC1(C(=O)N(C)CCCNCC(=C)Cl)CCCCC1 ZINC001483511297 1087517920 /nfs/dbraw/zinc/51/79/20/1087517920.db2.gz OMQCOTGMWPVJFT-UHFFFAOYSA-N 0 3 310.869 3.151 20 30 DGEDHN C#CCCCC(=O)N[C@H](CNCc1ccccc1Cl)C1CC1 ZINC001483557708 1087525589 /nfs/dbraw/zinc/52/55/89/1087525589.db2.gz PEXKEMBBVMFTKJ-QGZVFWFLSA-N 0 3 318.848 3.128 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1scnc1C)C1CC1 ZINC001483562783 1087525892 /nfs/dbraw/zinc/52/58/92/1087525892.db2.gz KQWCVBBAELSTAG-CQSZACIVSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1scnc1C)C1CC1 ZINC001483562782 1087525993 /nfs/dbraw/zinc/52/59/93/1087525993.db2.gz KQWCVBBAELSTAG-AWEZNQCLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001483655680 1087607217 /nfs/dbraw/zinc/60/72/17/1087607217.db2.gz RNLCSXGFYFYQFK-GXTWGEPZSA-N 0 3 308.372 3.124 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3sccc3c2)[C@H]1C ZINC001088952839 1087608693 /nfs/dbraw/zinc/60/86/93/1087608693.db2.gz MUOAWLNWOJUOSI-CJNGLKHVSA-N 0 3 312.438 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2C(F)F)[C@H]1C ZINC001089008687 1087621500 /nfs/dbraw/zinc/62/15/00/1087621500.db2.gz YLORGRLFOINUDS-PWSUYJOCSA-N 0 3 314.401 3.454 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001483674523 1087626628 /nfs/dbraw/zinc/62/66/28/1087626628.db2.gz ZVMFFBPABOGRBB-MSOLQXFVSA-N 0 3 312.457 3.440 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC2C3CC4CC(C3)CC2C4)[C@H]1C ZINC001089054316 1087627743 /nfs/dbraw/zinc/62/77/43/1087627743.db2.gz KZXBQHRLGQESMD-HGHKKHINSA-N 0 3 316.489 3.214 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001483678059 1087635137 /nfs/dbraw/zinc/63/51/37/1087635137.db2.gz UBZGGMBIFMCRNQ-MRXNPFEDSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001483684021 1087650127 /nfs/dbraw/zinc/65/01/27/1087650127.db2.gz BTUCZRXRQWJCRE-YTQUADARSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001483702584 1087677655 /nfs/dbraw/zinc/67/76/55/1087677655.db2.gz OUXFAMJTBSDRSS-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001483704183 1087679707 /nfs/dbraw/zinc/67/97/07/1087679707.db2.gz GZHIJAZNAZWHPP-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN CCC[C@@H](C)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483721283 1087700698 /nfs/dbraw/zinc/70/06/98/1087700698.db2.gz TUOYUUYUSSAGQJ-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCCCCCCCN1CCC[C@]12CCN([C@H](C)C(C)=O)C2=O ZINC001272478801 1087725560 /nfs/dbraw/zinc/72/55/60/1087725560.db2.gz PVASWGVBGPZJCM-VQIMIIECSA-N 0 3 322.493 3.391 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001158276775 1087755407 /nfs/dbraw/zinc/75/54/07/1087755407.db2.gz HKOLDULCRAWMEP-XWTMOSNGSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1c2ccccc2[C@@]2(CCN(CCC(F)(F)F)C2)C1=O ZINC001272502155 1087759773 /nfs/dbraw/zinc/75/97/73/1087759773.db2.gz HXDTURZUMQGOST-INIZCTEOSA-N 0 3 324.346 3.115 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cccc(OC)c2C)CC1 ZINC001483737854 1087788847 /nfs/dbraw/zinc/78/88/47/1087788847.db2.gz OGQZNUJUZOQMJC-UHFFFAOYSA-N 0 3 316.445 3.098 20 30 DGEDHN Cc1cccc2nc(Cl)c(C#N)c(-n3ccc([C@@H](C)N)n3)c12 ZINC001158355933 1087789208 /nfs/dbraw/zinc/78/92/08/1087789208.db2.gz IIFVLOXPRBGEBN-SNVBAGLBSA-N 0 3 311.776 3.274 20 30 DGEDHN CN1CCN(c2cc(C#N)c3ccccc3n2)C2(CCCC2)C1 ZINC001158410045 1087819534 /nfs/dbraw/zinc/81/95/34/1087819534.db2.gz KMRAUNIYWVZAOO-UHFFFAOYSA-N 0 3 306.413 3.171 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106193202 1087872728 /nfs/dbraw/zinc/87/27/28/1087872728.db2.gz CUWXWEYLYDJPJB-MJSVBIRZSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(OC)c(C)c1 ZINC001158605163 1087931064 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Cc1nc(NCc2ccc(C#N)c(F)c2)cc(N2CCCC2)n1 ZINC001159082972 1088171371 /nfs/dbraw/zinc/17/13/71/1088171371.db2.gz WEKYARCFTFMHCC-UHFFFAOYSA-N 0 3 311.364 3.008 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CC2CCCCC2)CC1 ZINC001159176755 1088222435 /nfs/dbraw/zinc/22/24/35/1088222435.db2.gz FYTVNMHZTWBCQF-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001099235846 1088226816 /nfs/dbraw/zinc/22/68/16/1088226816.db2.gz UKGYOBKVPVIOFO-UONOGXRCSA-N 0 3 316.436 3.461 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001153413473 1088242775 /nfs/dbraw/zinc/24/27/75/1088242775.db2.gz BEYKBLKOJBWWSS-NEWSRXKRSA-N 0 3 312.457 3.030 20 30 DGEDHN CC(C)(C)OC(=O)NC1(CNCc2ccc(C#N)o2)CCCC1 ZINC000699670967 1088266532 /nfs/dbraw/zinc/26/65/32/1088266532.db2.gz TTZVZPGROSJOES-UHFFFAOYSA-N 0 3 319.405 3.078 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001099245274 1088309054 /nfs/dbraw/zinc/30/90/54/1088309054.db2.gz JLXZWAMDANWZJP-QWHCGFSZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203452424 1088310234 /nfs/dbraw/zinc/31/02/34/1088310234.db2.gz ONZOEBPSCKVAGW-UONOGXRCSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001099245196 1088310399 /nfs/dbraw/zinc/31/03/99/1088310399.db2.gz IEKHWVJZLHEXRV-LBPRGKRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)ccc1C)CC2 ZINC001272615762 1088319746 /nfs/dbraw/zinc/31/97/46/1088319746.db2.gz BCPVXOMLDGADTC-KRWDZBQOSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccnc(Cl)c2)CCCC1 ZINC001153814295 1088371676 /nfs/dbraw/zinc/37/16/76/1088371676.db2.gz ZQZRJIWVGPFOKW-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(Cl)cc1 ZINC001123336601 1088418197 /nfs/dbraw/zinc/41/81/97/1088418197.db2.gz JAYVXXJJUOQGNJ-CQSZACIVSA-N 0 3 301.777 3.365 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@H](OC)C1 ZINC001212211552 1088418571 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C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccc(C)cc2)CC1 ZINC001483764866 1088652353 /nfs/dbraw/zinc/65/23/53/1088652353.db2.gz PZQSCYTYUNVCKM-SFHVURJKSA-N 0 3 300.446 3.336 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CC(C)(C)C1 ZINC001089467388 1088657003 /nfs/dbraw/zinc/65/70/03/1088657003.db2.gz SQWVOUCHIPNPJR-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)CC(C)(C)C1 ZINC001089475365 1088666759 /nfs/dbraw/zinc/66/67/59/1088666759.db2.gz BDILADDXEXZZKT-CYBMUJFWSA-N 0 3 324.371 3.071 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)CC(C)(C)C1 ZINC001089499710 1088695517 /nfs/dbraw/zinc/69/55/17/1088695517.db2.gz JORUWXOFNIUWCZ-INIZCTEOSA-N 0 3 323.440 3.022 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2sccc2Cl)CC1 ZINC001160221796 1088707132 /nfs/dbraw/zinc/70/71/32/1088707132.db2.gz NMUOQMDWXQSYBR-UHFFFAOYSA-N 0 3 322.861 3.177 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)CC(C)(C)C1 ZINC001089564933 1088752309 /nfs/dbraw/zinc/75/23/09/1088752309.db2.gz 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C[C@@H](N)c1nc2ccccc2n1-c1ccc(C2(C#N)CCC2)cn1 ZINC001155254499 1089027422 /nfs/dbraw/zinc/02/74/22/1089027422.db2.gz MSINOLWVCXXTIK-CYBMUJFWSA-N 0 3 317.396 3.385 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001483977264 1089065060 /nfs/dbraw/zinc/06/50/60/1089065060.db2.gz WXBWOZLSFOFZQD-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN CC#CCNC[C@@H](NC(=O)C1CC1)c1ccc2ccccc2c1 ZINC001483992601 1089068409 /nfs/dbraw/zinc/06/84/09/1089068409.db2.gz NAMIRVNGLVKOSU-LJQANCHMSA-N 0 3 306.409 3.020 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001155394700 1089089614 /nfs/dbraw/zinc/08/96/14/1089089614.db2.gz SZKRJQLNEYHVQD-OAHLLOKOSA-N 0 3 310.397 3.020 20 30 DGEDHN C=CCCCCCN1CC[C@](C)(NC(=O)c2cncs2)C1 ZINC001484031520 1089109405 /nfs/dbraw/zinc/10/94/05/1089109405.db2.gz FDKVHDFAKGWEAI-INIZCTEOSA-N 0 3 307.463 3.084 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001161174406 1089137906 /nfs/dbraw/zinc/13/79/06/1089137906.db2.gz QHUUZPJXZQXGHY-UHFFFAOYSA-N 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C=CCN1CC=C(CCNC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001161597663 1089301275 /nfs/dbraw/zinc/30/12/75/1089301275.db2.gz FBZQWLWIIHZTLM-MSOLQXFVSA-N 0 3 302.462 3.137 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001161622001 1089317609 /nfs/dbraw/zinc/31/76/09/1089317609.db2.gz HUINYXMYGJTSEJ-IEBWSBKVSA-N 0 3 304.478 3.383 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001161623054 1089319352 /nfs/dbraw/zinc/31/93/52/1089319352.db2.gz ZAOMARQYACMQPK-QUCCMNQESA-N 0 3 316.489 3.220 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001161621881 1089319538 /nfs/dbraw/zinc/31/95/38/1089319538.db2.gz CSKFCOGVGLCRCH-RBUKOAKNSA-N 0 3 316.489 3.365 20 30 DGEDHN C#CCCN[C@H](CNC(=O)/C=C(/C)CC)c1ccccc1CC ZINC001484324792 1089336636 /nfs/dbraw/zinc/33/66/36/1089336636.db2.gz MVPMDEJRBCEBKD-WLGQOEQESA-N 0 3 312.457 3.376 20 30 DGEDHN CN(C)/C=N/c1ccc(N[C@H](C#N)c2ccccc2)cc1C#N ZINC001161721924 1089368997 /nfs/dbraw/zinc/36/89/97/1089368997.db2.gz 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CC#CCN1CC=C(CCNC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001161972469 1089503887 /nfs/dbraw/zinc/50/38/87/1089503887.db2.gz CPXJGXMVSCMPJR-UHFFFAOYSA-N 0 3 316.489 3.220 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CC/C=C/c3ccccc3)C2)CC1 ZINC001484582512 1089518331 /nfs/dbraw/zinc/51/83/31/1089518331.db2.gz HWLHHPIBIDRBQU-UXBLZVDNSA-N 0 3 322.452 3.038 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212327632 1089519737 /nfs/dbraw/zinc/51/97/37/1089519737.db2.gz OJYBQVFJGVRSRI-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C(C)=C\CC)cccc2C1 ZINC001484611167 1089537011 /nfs/dbraw/zinc/53/70/11/1089537011.db2.gz BUBVRRSMMISCJL-PXNMLYILSA-N 0 3 310.441 3.041 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C)c(Cl)c2F)CCC1 ZINC001484644856 1089559976 /nfs/dbraw/zinc/55/99/76/1089559976.db2.gz ULNMJPGKQQVPCM-UHFFFAOYSA-N 0 3 322.811 3.053 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2c(C)nsc2C)CCC1 ZINC001484646154 1089560808 /nfs/dbraw/zinc/56/08/08/1089560808.db2.gz FQQGVQVOAMJXRX-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001156566679 1089586678 /nfs/dbraw/zinc/58/66/78/1089586678.db2.gz JNLSEXLCYYNOER-HWWITLHISA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C/C ZINC001484822373 1089702204 /nfs/dbraw/zinc/70/22/04/1089702204.db2.gz PKYBBOYMVGFZGS-ONGAVZMUSA-N 0 3 312.457 3.462 20 30 DGEDHN C#CCCCCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001156811577 1089704132 /nfs/dbraw/zinc/70/41/32/1089704132.db2.gz GFCHZVPTVMZMTG-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@]2(C)CC=CCC2)cc1 ZINC001272690999 1089709144 /nfs/dbraw/zinc/70/91/44/1089709144.db2.gz GQYHLTKFZCLAQK-UZLBHIALSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC23CC3)cc1 ZINC001272691544 1089711995 /nfs/dbraw/zinc/71/19/95/1089711995.db2.gz MFYUBPHQPGJCHP-YJBOKZPZSA-N 0 3 310.441 3.167 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(F)CCCC2)cc1 ZINC001272692164 1089732418 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C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)CCc1ccccc1 ZINC001157224221 1089878438 /nfs/dbraw/zinc/87/84/38/1089878438.db2.gz RDNLJMRBBMNTFU-ZWKOTPCHSA-N 0 3 314.473 3.105 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001157281108 1089901641 /nfs/dbraw/zinc/90/16/41/1089901641.db2.gz VXUQIYICWGLFQC-MRXNPFEDSA-N 0 3 323.440 3.145 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccccc1C ZINC001485068446 1089903500 /nfs/dbraw/zinc/90/35/00/1089903500.db2.gz DHDUVQGEGHGTJB-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCCCC(=O)NC1CC(CNCc2cccc(F)c2F)C1 ZINC001485100413 1089945161 /nfs/dbraw/zinc/94/51/61/1089945161.db2.gz DIVNINXHBMUZPA-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1cc(CC#N)ccc1[N+](=O)[O-] ZINC001162776738 1089948128 /nfs/dbraw/zinc/94/81/28/1089948128.db2.gz BFGXZGRDKNAPJR-NSHDSACASA-N 0 3 321.340 3.019 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001485108082 1089960814 /nfs/dbraw/zinc/96/08/14/1089960814.db2.gz JCCCCKRJQXYQSX-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C[C@H]1CC=CCC1 ZINC001162887577 1090007391 /nfs/dbraw/zinc/00/73/91/1090007391.db2.gz LQDFABIQRUFBIA-FQEVSTJZSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162918628 1090025127 /nfs/dbraw/zinc/02/51/27/1090025127.db2.gz FDZMHOCQIOUGIL-LJQANCHMSA-N 0 3 320.452 3.219 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C1CCC(=C)CC1 ZINC001162919575 1090026179 /nfs/dbraw/zinc/02/61/79/1090026179.db2.gz VXYNVXOFCCEDHH-UHFFFAOYSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001163013726 1090055549 /nfs/dbraw/zinc/05/55/49/1090055549.db2.gz NDDKGFKEUUHOJI-SJORKVTESA-N 0 3 320.864 3.104 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001163164326 1090097519 /nfs/dbraw/zinc/09/75/19/1090097519.db2.gz OGGDTRJSDLDLTM-JKSUJKDBSA-N 0 3 324.827 3.168 20 30 DGEDHN C=CCc1c(Cl)ncnc1N[C@H]1CNCc2ccsc21 ZINC001163219592 1090119463 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C=CCN(C)[C@H](C)CNC(=O)c1coc2ccc(Cl)cc12 ZINC001485379845 1090138745 /nfs/dbraw/zinc/13/87/45/1090138745.db2.gz UJVDVNBCPWPLSU-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001157982150 1090164376 /nfs/dbraw/zinc/16/43/76/1090164376.db2.gz OZJQSSCZCZLYTK-XMTFNYHQSA-N 0 3 302.462 3.088 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(F)c1C ZINC001157982407 1090164795 /nfs/dbraw/zinc/16/47/95/1090164795.db2.gz RFYQFQHHJACTAX-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(C)oc2C)CC1 ZINC001163382839 1090172011 /nfs/dbraw/zinc/17/20/11/1090172011.db2.gz BSKDSSYWMUBQKN-UHFFFAOYSA-N 0 3 310.825 3.139 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001158071940 1090181547 /nfs/dbraw/zinc/18/15/47/1090181547.db2.gz YWWUFYWLODHIPY-INIZCTEOSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2cccnc21 ZINC001158190619 1090198588 /nfs/dbraw/zinc/19/85/88/1090198588.db2.gz 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/nfs/dbraw/zinc/30/20/28/1090302028.db2.gz USGMZOONUMRRAS-LBPRGKRZSA-N 0 3 310.388 3.334 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1CCC ZINC001299258128 1090377436 /nfs/dbraw/zinc/37/74/36/1090377436.db2.gz CNRZZWHHGMARJB-QZTJIDSGSA-N 0 3 300.446 3.164 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](CNCc1ccccn1)C1CC1 ZINC001485823650 1090384480 /nfs/dbraw/zinc/38/44/80/1090384480.db2.gz VIRJCYPCFTWJOR-IEBWSBKVSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001164623294 1090449383 /nfs/dbraw/zinc/44/93/83/1090449383.db2.gz WRSCMCCZTLWRLC-HIFRSBDPSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001164623299 1090449810 /nfs/dbraw/zinc/44/98/10/1090449810.db2.gz WRSCMCCZTLWRLC-ZFWWWQNUSA-N 0 3 312.885 3.441 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107502673 1090451987 /nfs/dbraw/zinc/45/19/87/1090451987.db2.gz MFIKOJPXCMYRGM-FZOOIIKFSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(CC)o1)C2 ZINC001204391394 1090453097 /nfs/dbraw/zinc/45/30/97/1090453097.db2.gz PFODVYCSXGZGOY-RTBURBONSA-N 0 3 319.445 3.416 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864726 1090520320 /nfs/dbraw/zinc/52/03/20/1090520320.db2.gz YXRITEUYLMQAIY-QFBILLFUSA-N 0 3 322.493 3.295 20 30 DGEDHN COc1ccc(NCC2CN(Cc3ccccc3)C2)c(CC#N)c1 ZINC001165454427 1090522765 /nfs/dbraw/zinc/52/27/65/1090522765.db2.gz MOLADWULVDYYDX-UHFFFAOYSA-N 0 3 321.424 3.305 20 30 DGEDHN O/N=C1/CCc2cc(NCC3CN(Cc4ccccc4)C3)ccc21 ZINC001165468854 1090523667 /nfs/dbraw/zinc/52/36/67/1090523667.db2.gz HYNNNIKHQBDXFN-XDOYNYLZSA-N 0 3 321.424 3.355 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(Cl)cc1C ZINC001165721659 1090542608 /nfs/dbraw/zinc/54/26/08/1090542608.db2.gz MRSYKZVTXXOISI-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001165849058 1090553134 /nfs/dbraw/zinc/55/31/34/1090553134.db2.gz OOJVKSCJPHBLNR-KFWWJZLASA-N 0 3 310.869 3.051 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1ccc(F)cc1F ZINC001165921419 1090561918 /nfs/dbraw/zinc/56/19/18/1090561918.db2.gz KWYJXTCVBNROSH-QGZVFWFLSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1cccc(F)c1F ZINC001165928829 1090562365 /nfs/dbraw/zinc/56/23/65/1090562365.db2.gz FJMLYPXICXFBGH-KRWDZBQOSA-N 0 3 310.388 3.163 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2ccc(F)cc2F)CCC1 ZINC001165997757 1090568362 /nfs/dbraw/zinc/56/83/62/1090568362.db2.gz BNQUKWYRKLMJGW-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107966667 1090576163 /nfs/dbraw/zinc/57/61/63/1090576163.db2.gz LEUBYXWOTIUGDW-APWZRJJASA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001166327898 1090596696 /nfs/dbraw/zinc/59/66/96/1090596696.db2.gz SJOKHLSNCGLYGO-GFCCVEGCSA-N 0 3 312.816 3.168 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001166882458 1090671874 /nfs/dbraw/zinc/67/18/74/1090671874.db2.gz MPHRYRGMHWFGOI-DZGCQCFKSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932921 1090703638 /nfs/dbraw/zinc/70/36/38/1090703638.db2.gz ORGOJFONUPVPAZ-KRWDZBQOSA-N 0 3 304.459 3.281 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2sccc2C)C1=O ZINC001272934465 1090704656 /nfs/dbraw/zinc/70/46/56/1090704656.db2.gz QNIYSUKLAVDDRB-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccsc1)CC2 ZINC001272936324 1090705622 /nfs/dbraw/zinc/70/56/22/1090705622.db2.gz KGNBBXJGYONLQV-HNNXBMFYSA-N 0 3 304.459 3.043 20 30 DGEDHN C[C@H](CN(C)C(=O)/C=C\C(C)(C)C)NCc1ccc(C#N)s1 ZINC001485854803 1090709030 /nfs/dbraw/zinc/70/90/30/1090709030.db2.gz HFDSMQWUZRDTJW-LJTDUEICSA-N 0 3 319.474 3.159 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001485868363 1090713491 /nfs/dbraw/zinc/71/34/91/1090713491.db2.gz KSJNYOVOKYYVPZ-CYBMUJFWSA-N 0 3 324.827 3.219 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(F)c1 ZINC001485909110 1090723633 /nfs/dbraw/zinc/72/36/33/1090723633.db2.gz GNGZKZHRVSESJW-LBPRGKRZSA-N 0 3 310.388 3.114 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CCCC1CC1 ZINC001486083393 1090743718 /nfs/dbraw/zinc/74/37/18/1090743718.db2.gz CUMDRILOVJGOSA-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN N#Cc1ccccc1OC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203558323 1090755117 /nfs/dbraw/zinc/75/51/17/1090755117.db2.gz DPRLWVRAACUJTI-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC001486130422 1090758203 /nfs/dbraw/zinc/75/82/03/1090758203.db2.gz NUEQPOULOAPZLZ-CJNGLKHVSA-N 0 3 312.438 3.117 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001276413839 1090764334 /nfs/dbraw/zinc/76/43/34/1090764334.db2.gz ITBDCRFRXSCNFO-HUUCEWRRSA-N 0 3 300.446 3.396 20 30 DGEDHN O=C1C=C2CN(Cc3ccccc3C(F)(F)F)CCC2S1 ZINC001203687827 1090780856 /nfs/dbraw/zinc/78/08/56/1090780856.db2.gz ZNBGTRUFRAFMQK-CYBMUJFWSA-N 0 3 313.344 3.480 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccnc(Cl)c2)C(C)(C)C1 ZINC001486229702 1090789691 /nfs/dbraw/zinc/78/96/91/1090789691.db2.gz YHFZTRIYGPXHDB-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccc(F)c1)C2 ZINC001203785260 1090803937 /nfs/dbraw/zinc/80/39/37/1090803937.db2.gz LRVRZYDGNGQRPV-RTBURBONSA-N 0 3 319.420 3.399 20 30 DGEDHN CCCCC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001486385814 1090819761 /nfs/dbraw/zinc/81/97/61/1090819761.db2.gz KHJZLQFURLOIPH-SFHVURJKSA-N 0 3 314.473 3.349 20 30 DGEDHN CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001203904903 1090834149 /nfs/dbraw/zinc/83/41/49/1090834149.db2.gz IQZIYCBMCLXYGK-MRXNPFEDSA-N 0 3 300.402 3.254 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(C#N)cc1)C2 ZINC001203903110 1090834181 /nfs/dbraw/zinc/83/41/81/1090834181.db2.gz QAIHLALXGWOORQ-HXUWFJFHSA-N 0 3 323.440 3.091 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C1CCN(Cc2cccnc2)CC1 ZINC001486447460 1090837743 /nfs/dbraw/zinc/83/77/43/1090837743.db2.gz BXQGDUSGBKXJQZ-HNNXBMFYSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C(F)(F)F)CCC2)C1 ZINC001486464917 1090845002 /nfs/dbraw/zinc/84/50/02/1090845002.db2.gz BDLXDHZXDNCNHR-UHFFFAOYSA-N 0 3 324.774 3.051 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001276440387 1090900054 /nfs/dbraw/zinc/90/00/54/1090900054.db2.gz VYOGMPJKOQGWGA-LBPRGKRZSA-N 0 3 314.420 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001128245684 1090923459 /nfs/dbraw/zinc/92/34/59/1090923459.db2.gz GDTCNCYBAOHYJW-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C[C@@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001204213474 1090923830 /nfs/dbraw/zinc/92/38/30/1090923830.db2.gz RDYOWIUCEBWOSR-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(C(C)C)cc2)C1=O ZINC001272969219 1090941000 /nfs/dbraw/zinc/94/10/00/1090941000.db2.gz OLWGLMWFCQVIKH-FQEVSTJZSA-N 0 3 310.441 3.010 20 30 DGEDHN C=CCOc1ccc(CN2CCC(c3ncccn3)CC2)cc1 ZINC001204299978 1090942959 /nfs/dbraw/zinc/94/29/59/1090942959.db2.gz HETYPGLQQFORSJ-UHFFFAOYSA-N 0 3 309.413 3.421 20 30 DGEDHN C=CCOc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)cc1 ZINC001204303117 1090944480 /nfs/dbraw/zinc/94/44/80/1090944480.db2.gz ABMAIGHFEPEEFR-MRXNPFEDSA-N 0 3 305.393 3.344 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(F)c(Cl)c3)C2)C1=O ZINC001272989013 1090967299 /nfs/dbraw/zinc/96/72/99/1090967299.db2.gz YOKYKBICMCMKMC-QGZVFWFLSA-N 0 3 322.811 3.090 20 30 DGEDHN C=CCCCC(=O)N1CCC(CN(C)Cc2cc(C)no2)CC1 ZINC001494207151 1090977436 /nfs/dbraw/zinc/97/74/36/1090977436.db2.gz WRVLMQHXPZJUMJ-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN(Cc3cc(C)cc(C)c3)CC2)C1=O ZINC001273005964 1090983610 /nfs/dbraw/zinc/98/36/10/1090983610.db2.gz MVHGREXMTGZPME-NRFANRHFSA-N 0 3 324.468 3.141 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(C)c(C)o1)C2 ZINC001204531425 1090993009 /nfs/dbraw/zinc/99/30/09/1090993009.db2.gz NYTYOXXZNQJRTN-MSOLQXFVSA-N 0 3 305.418 3.223 20 30 DGEDHN C[C@H](CCCCNCc1ccccc1C#N)NC(=O)C1CCC1 ZINC001168730231 1091010344 /nfs/dbraw/zinc/01/03/44/1091010344.db2.gz IDZFLVQSFBDCNL-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)C1CCC1 ZINC001168730228 1091010523 /nfs/dbraw/zinc/01/05/23/1091010523.db2.gz IDZFLVQSFBDCNL-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN Cc1cccc(C#N)c1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001204750877 1091029412 /nfs/dbraw/zinc/02/94/12/1091029412.db2.gz DNRQVOSBQWADOU-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3cscc3s2)CCC1 ZINC001273122163 1091061186 /nfs/dbraw/zinc/06/11/86/1091061186.db2.gz NNXKUCFXGBFKSV-UHFFFAOYSA-N 0 3 318.467 3.228 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108148860 1091152512 /nfs/dbraw/zinc/15/25/12/1091152512.db2.gz OZFKWRBMQUACJS-APWZRJJASA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108148861 1091153490 /nfs/dbraw/zinc/15/34/90/1091153490.db2.gz OZFKWRBMQUACJS-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(F)c1C#N ZINC001205261791 1091155774 /nfs/dbraw/zinc/15/57/74/1091155774.db2.gz MWYOSBRTQMFEQZ-QRWLVFNGSA-N 0 3 323.415 3.307 20 30 DGEDHN SC1CCN(Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138621768 1091258447 /nfs/dbraw/zinc/25/84/47/1091258447.db2.gz ZZAJPFQGZZAYDC-UHFFFAOYSA-N 0 3 301.415 3.163 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC(c3ncccn3)CC2)c1[O-] ZINC001138628511 1091261766 /nfs/dbraw/zinc/26/17/66/1091261766.db2.gz VVPMPAYEQPRBEI-UHFFFAOYSA-N 0 3 309.413 3.290 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C)o3)C2)c1[O-] ZINC001138629985 1091263678 /nfs/dbraw/zinc/26/36/78/1091263678.db2.gz MEDKXBLDPPSBIF-MRXNPFEDSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c1[O-] ZINC001138629985 1091263682 /nfs/dbraw/zinc/26/36/82/1091263682.db2.gz MEDKXBLDPPSBIF-MRXNPFEDSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(CN2CC3(C2)CC(F)(F)CS3)c1O ZINC001138630656 1091264301 /nfs/dbraw/zinc/26/43/01/1091264301.db2.gz ZMZXLZBAVYUSJQ-UHFFFAOYSA-N 0 3 311.397 3.447 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(-c3ccccc3)o2)CCC1 ZINC001273160684 1091270363 /nfs/dbraw/zinc/27/03/63/1091270363.db2.gz AXHRJIBPYJDCPH-UHFFFAOYSA-N 0 3 322.408 3.212 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001138665509 1091281917 /nfs/dbraw/zinc/28/19/17/1091281917.db2.gz NWOCRWHWLYXABU-NVXWUHKLSA-N 0 3 317.429 3.415 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108188589 1091374912 /nfs/dbraw/zinc/37/49/12/1091374912.db2.gz VVXGORAPWIPWAW-RBUKOAKNSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001205878847 1091390343 /nfs/dbraw/zinc/39/03/43/1091390343.db2.gz GYOSRVXFVGJTLN-UKTHLTGXSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001273204934 1091413271 /nfs/dbraw/zinc/41/32/71/1091413271.db2.gz PADQTGVDOQSVIG-HOCLYGCPSA-N 0 3 322.880 3.411 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001084454457 1091489867 /nfs/dbraw/zinc/48/98/67/1091489867.db2.gz QQBXHRGZQHZUIF-MISYRCLQSA-N 0 3 324.468 3.215 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)c(F)c2OC)no1 ZINC001206100203 1091492044 /nfs/dbraw/zinc/49/20/44/1091492044.db2.gz JWENQURDLTYLAS-UHFFFAOYSA-N 0 3 321.327 3.132 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3ccccc3n2)no1 ZINC001206100353 1091492374 /nfs/dbraw/zinc/49/23/74/1091492374.db2.gz MRZPEFGERDVOCT-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001084578312 1091507433 /nfs/dbraw/zinc/50/74/33/1091507433.db2.gz UXXGSLKRTIQCFQ-BHIYHBOVSA-N 0 3 324.468 3.419 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084645726 1091524895 /nfs/dbraw/zinc/52/48/95/1091524895.db2.gz BKWXNGFETMOEGE-RTBURBONSA-N 0 3 324.468 3.118 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CCCCC ZINC001098909619 1091537288 /nfs/dbraw/zinc/53/72/88/1091537288.db2.gz BRPOUDNBWWKCTP-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)[C@@H]2C1 ZINC001084694657 1091541737 /nfs/dbraw/zinc/54/17/37/1091541737.db2.gz NSTLAYMAOWIDPY-BFYDXBDKSA-N 0 3 318.486 3.036 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc(C(C)(C)C)c3)[C@@H]2C1 ZINC001084732097 1091551609 /nfs/dbraw/zinc/55/16/09/1091551609.db2.gz DXHXJQKRRUYINX-IEBWSBKVSA-N 0 3 324.468 3.154 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084783059 1091562360 /nfs/dbraw/zinc/56/23/60/1091562360.db2.gz WIFFKFCQFYEIMN-QXAKKESOSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc4cc(C)ccc4o3)[C@@H]2C1 ZINC001084852426 1091590108 /nfs/dbraw/zinc/59/01/08/1091590108.db2.gz ZDPVLJGZZJPWAZ-NVXWUHKLSA-N 0 3 324.424 3.464 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001206490256 1091646563 /nfs/dbraw/zinc/64/65/63/1091646563.db2.gz JFFMGLMDSFZZBJ-DNVCBOLYSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001206545858 1091663758 /nfs/dbraw/zinc/66/37/58/1091663758.db2.gz ZRHZPHVCNQVRPP-FSPWUOQZSA-N 0 3 316.420 3.216 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001206543849 1091664282 /nfs/dbraw/zinc/66/42/82/1091664282.db2.gz BKRXLTNGTLRAMD-IIDMSEBBSA-N 0 3 316.445 3.159 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3C)C[C@@H]21 ZINC001085099356 1091669989 /nfs/dbraw/zinc/66/99/89/1091669989.db2.gz OMTYAKUBSJETLL-SCTDSRPQSA-N 0 3 312.457 3.207 20 30 DGEDHN CN(C/C=C/c1ccc(F)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001206576807 1091675360 /nfs/dbraw/zinc/67/53/60/1091675360.db2.gz FKDOVOAVMGGJGY-MEDHRJKHSA-N 0 3 310.372 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085159780 1091690329 /nfs/dbraw/zinc/69/03/29/1091690329.db2.gz HKACRGOLIXMYEE-JKJDWNRSSA-N 0 3 310.869 3.192 20 30 DGEDHN C#CCN1CCN(Cc2cccc3c4ccccc4oc32)CC1 ZINC001139858597 1091694105 /nfs/dbraw/zinc/69/41/05/1091694105.db2.gz NLRFGWUNHUTSIB-UHFFFAOYSA-N 0 3 304.393 3.337 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)Cc1ccccc1 ZINC001139869602 1091695415 /nfs/dbraw/zinc/69/54/15/1091695415.db2.gz MSUIUAGRVFIOTF-GOSISDBHSA-N 0 3 302.462 3.222 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]c(C)cc1C ZINC001085246071 1091724065 /nfs/dbraw/zinc/72/40/65/1091724065.db2.gz BIENHVKFKKLXBO-ZIAGYGMSSA-N 0 3 309.841 3.015 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)[nH]c1C ZINC001085346598 1091750558 /nfs/dbraw/zinc/75/05/58/1091750558.db2.gz GJPWMURZQOYVIU-HUUCEWRRSA-N 0 3 309.841 3.015 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)c1ccccc1 ZINC001085347444 1091752621 /nfs/dbraw/zinc/75/26/21/1091752621.db2.gz OTJDHSOMTYYOAG-OAGGEKHMSA-N 0 3 324.827 3.467 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1F ZINC001085412311 1091769236 /nfs/dbraw/zinc/76/92/36/1091769236.db2.gz OFIUZIJJAHBOCP-HZPDHXFCSA-N 0 3 324.827 3.138 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(C[C@H]4CCO)CC3)c2c1 ZINC001140109972 1091771022 /nfs/dbraw/zinc/77/10/22/1091771022.db2.gz COSSDQKPVVRBJE-MRXNPFEDSA-N 0 3 309.413 3.024 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001085600028 1091850085 /nfs/dbraw/zinc/85/00/85/1091850085.db2.gz IHMFMENCVUHHTH-INIZCTEOSA-N 0 3 315.461 3.102 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641372 1091866228 /nfs/dbraw/zinc/86/62/28/1091866228.db2.gz KPWROCOKJHSXOO-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(F)c(C)cc1F ZINC001085653994 1091871850 /nfs/dbraw/zinc/87/18/50/1091871850.db2.gz FPOAFWOXNWJINU-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCN2CCCC)cc1 ZINC001085678397 1091880578 /nfs/dbraw/zinc/88/05/78/1091880578.db2.gz IRYWBDWNONAPBY-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1CC ZINC001085696339 1091884041 /nfs/dbraw/zinc/88/40/41/1091884041.db2.gz HKATYCOBQOVWQB-INIZCTEOSA-N 0 3 304.409 3.111 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706261 1091893066 /nfs/dbraw/zinc/89/30/66/1091893066.db2.gz KWBCCVOVFLRFPY-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CCC ZINC001085713701 1091895352 /nfs/dbraw/zinc/89/53/52/1091895352.db2.gz QQCSQJCMNDEXAV-KRWDZBQOSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001085750985 1091912525 /nfs/dbraw/zinc/91/25/25/1091912525.db2.gz UUPHMZFYAIIZJG-SNVBAGLBSA-N 0 3 316.232 3.044 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CN1CCC(C)(C#N)CC1 ZINC001207311677 1091919999 /nfs/dbraw/zinc/91/99/99/1091919999.db2.gz FDXTZWZVVXTSDE-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001207362126 1091938581 /nfs/dbraw/zinc/93/85/81/1091938581.db2.gz DRFLQZBQZLMNPF-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1F ZINC001085796473 1091942431 /nfs/dbraw/zinc/94/24/31/1091942431.db2.gz RUNZUEYNMLZABU-LBPRGKRZSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001085814816 1091951560 /nfs/dbraw/zinc/95/15/60/1091951560.db2.gz HFYMQGZRRZJJNS-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837238 1091961335 /nfs/dbraw/zinc/96/13/35/1091961335.db2.gz FZBMMBVRMBOXTK-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844357 1091971608 /nfs/dbraw/zinc/97/16/08/1091971608.db2.gz LHHUDCOQMMXZBY-QGZVFWFLSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001085839200 1091973957 /nfs/dbraw/zinc/97/39/57/1091973957.db2.gz DLJHPQNLMSPWLE-IKGGRYGDSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001085860868 1091982646 /nfs/dbraw/zinc/98/26/46/1091982646.db2.gz JYMFQMOXUFBAED-RSPOEFSDSA-N 0 3 324.468 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085859931 1091987716 /nfs/dbraw/zinc/98/77/16/1091987716.db2.gz MCFCPCZDXXAQFG-QRVBRYPASA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(F)cc1C)C2 ZINC001140779812 1091995251 /nfs/dbraw/zinc/99/52/51/1091995251.db2.gz BMAPPMYMPSBPEG-RTBURBONSA-N 0 3 319.420 3.460 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2cccnc2c1 ZINC001085880493 1091996180 /nfs/dbraw/zinc/99/61/80/1091996180.db2.gz FKTLQMQPHUHHEI-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC001085916333 1092008370 /nfs/dbraw/zinc/00/83/70/1092008370.db2.gz XJSMYSQOKPFSHA-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1oc(CCC)nc1C ZINC001085926442 1092018298 /nfs/dbraw/zinc/01/82/98/1092018298.db2.gz XNLJYGJSSIXSIW-OAHLLOKOSA-N 0 3 319.449 3.048 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085938069 1092026263 /nfs/dbraw/zinc/02/62/63/1092026263.db2.gz XAFQDRJPVBEZGX-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(C(F)F)CC1 ZINC001085952777 1092041583 /nfs/dbraw/zinc/04/15/83/1092041583.db2.gz KQYHINBQDYQMDJ-YMAMQOFZSA-N 0 3 314.420 3.167 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001207634359 1092052187 /nfs/dbraw/zinc/05/21/87/1092052187.db2.gz BDRRSFAUMKUNQC-KRWDZBQOSA-N 0 3 315.461 3.252 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085974258 1092066495 /nfs/dbraw/zinc/06/64/95/1092066495.db2.gz PVOLQICVPZUMJL-INIZCTEOSA-N 0 3 303.450 3.182 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001085995497 1092080719 /nfs/dbraw/zinc/08/07/19/1092080719.db2.gz NPEDDFSCPFUXJW-OKZBNKHCSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001085999789 1092089439 /nfs/dbraw/zinc/08/94/39/1092089439.db2.gz TZBANNHODVFQAP-QGZVFWFLSA-N 0 3 323.440 3.404 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391287 1092111233 /nfs/dbraw/zinc/11/12/33/1092111233.db2.gz GKHAKEOOUJOCFI-HZPDHXFCSA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001273391287 1092111238 /nfs/dbraw/zinc/11/12/38/1092111238.db2.gz GKHAKEOOUJOCFI-HZPDHXFCSA-N 0 3 316.445 3.331 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001207860143 1092123514 /nfs/dbraw/zinc/12/35/14/1092123514.db2.gz HUFMVOSTPGKYSK-KRWDZBQOSA-N 0 3 316.420 3.100 20 30 DGEDHN C=CCCCCCCCCCN1CCN(CC(N)=O)C(C)(C)C1 ZINC001207899239 1092132607 /nfs/dbraw/zinc/13/26/07/1092132607.db2.gz RDUUKPIISSQFCY-UHFFFAOYSA-N 0 3 323.525 3.175 20 30 DGEDHN N#Cc1c(N)sc(CN2CCc3ccccc3CC2)c1Cl ZINC001141112250 1092141660 /nfs/dbraw/zinc/14/16/60/1092141660.db2.gz VQDWLWHLNYBWON-UHFFFAOYSA-N 0 3 317.845 3.456 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001208044186 1092183262 /nfs/dbraw/zinc/18/32/62/1092183262.db2.gz AWSMLEHPODVLQK-CHWSQXEVSA-N 0 3 302.409 3.071 20 30 DGEDHN CC/C=C\CCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001273420151 1092205162 /nfs/dbraw/zinc/20/51/62/1092205162.db2.gz CNICTTWETRAYON-JXCVUKRWSA-N 0 3 303.450 3.103 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001491676622 1092207153 /nfs/dbraw/zinc/20/71/53/1092207153.db2.gz LVGXVRUADKCUMR-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001491832890 1092247324 /nfs/dbraw/zinc/24/73/24/1092247324.db2.gz VPMSIEINXCRGJP-PUWKQBKRSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC001491873359 1092266632 /nfs/dbraw/zinc/26/66/32/1092266632.db2.gz FFYPUDCSLLWLSS-HZPDHXFCSA-N 0 3 319.449 3.165 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001491882607 1092272732 /nfs/dbraw/zinc/27/27/32/1092272732.db2.gz OWXBUQKKAOQLCJ-ZIAGYGMSSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001208239610 1092287818 /nfs/dbraw/zinc/28/78/18/1092287818.db2.gz DPJPOSPKXFQUKB-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001208255211 1092292002 /nfs/dbraw/zinc/29/20/02/1092292002.db2.gz DLBLAUXUJQBVIK-QGZVFWFLSA-N 0 3 322.399 3.402 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001273437203 1092294294 /nfs/dbraw/zinc/29/42/94/1092294294.db2.gz KFGYKJJDYWXDIN-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001208255621 1092295083 /nfs/dbraw/zinc/29/50/83/1092295083.db2.gz NHPHFJSXIWDYNI-OAHLLOKOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCC(C)(C)C)C1 ZINC001108287994 1092305795 /nfs/dbraw/zinc/30/57/95/1092305795.db2.gz AJUADEJGRCUVOR-LPHOPBHVSA-N 0 3 324.509 3.375 20 30 DGEDHN CC[C@@H](F)CN1CCC2(C[C@H](C)N(C(=O)C#CC(C)C)C2)CC1 ZINC001316669907 1092320773 /nfs/dbraw/zinc/32/07/73/1092320773.db2.gz MISSYIMMKJIXAY-DLBZAZTESA-N 0 3 322.468 3.097 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001491965677 1092327366 /nfs/dbraw/zinc/32/73/66/1092327366.db2.gz RHMHGSGVQHYPAL-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001491965675 1092328656 /nfs/dbraw/zinc/32/86/56/1092328656.db2.gz RHMHGSGVQHYPAL-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1C ZINC001208371283 1092331937 /nfs/dbraw/zinc/33/19/37/1092331937.db2.gz NESOLBOKIDDOTQ-HKCWIBIESA-N 0 3 324.468 3.330 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2ccccc2F)C[C@H]1C ZINC001208452650 1092358587 /nfs/dbraw/zinc/35/85/87/1092358587.db2.gz WFZQZFVHILWNPL-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001492058726 1092364591 /nfs/dbraw/zinc/36/45/91/1092364591.db2.gz QWUNKRQGPFXFQG-MLGOLLRUSA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCCc2ccccc2)C1 ZINC001208477939 1092368487 /nfs/dbraw/zinc/36/84/87/1092368487.db2.gz WKHYGSCSNVXYLQ-IEBWSBKVSA-N 0 3 314.473 3.412 20 30 DGEDHN C[C@H]1C[C@H](NCc2csc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168835447 1092388872 /nfs/dbraw/zinc/38/88/72/1092388872.db2.gz SOKGNCTVLDWLHG-AAEUAGOBSA-N 0 3 321.446 3.107 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC001168838516 1092390610 /nfs/dbraw/zinc/39/06/10/1092390610.db2.gz NHVYQYUWHVPBMH-UHFFFAOYSA-N 0 3 324.472 3.264 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2ccccc2[nH]1 ZINC001492121893 1092391588 /nfs/dbraw/zinc/39/15/88/1092391588.db2.gz USVSNWPDSOXMBX-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001492262921 1092462840 /nfs/dbraw/zinc/46/28/40/1092462840.db2.gz UMVIPPRPGBGUHO-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccc(OC)c(C)c1 ZINC001492399135 1092494946 /nfs/dbraw/zinc/49/49/46/1092494946.db2.gz DJCNDGJBKCCBTG-IBGZPJMESA-N 0 3 318.461 3.154 20 30 DGEDHN C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001316673629 1092527468 /nfs/dbraw/zinc/52/74/68/1092527468.db2.gz GKDTVVQEVZHCRK-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN CN(CCCc1cccc(C#N)c1)Cc1cnc2ccccn12 ZINC001208846004 1092540966 /nfs/dbraw/zinc/54/09/66/1092540966.db2.gz WBCSDHAPGPSNRH-UHFFFAOYSA-N 0 3 304.397 3.271 20 30 DGEDHN N#Cc1cccc(CCCN2CCc3cc(C#N)ccc3C2)c1 ZINC001208845887 1092542615 /nfs/dbraw/zinc/54/26/15/1092542615.db2.gz UKHGEBVDLYETNI-UHFFFAOYSA-N 0 3 301.393 3.421 20 30 DGEDHN N#Cc1ccc(CCCN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC001208860931 1092549283 /nfs/dbraw/zinc/54/92/83/1092549283.db2.gz YUTORTZJNIYPPU-UHFFFAOYSA-N 0 3 321.424 3.019 20 30 DGEDHN N#Cc1ccc2c(CN3CCC4(C[C@@H](F)CO4)CC3)c[nH]c2c1 ZINC001142922297 1092586535 /nfs/dbraw/zinc/58/65/35/1092586535.db2.gz BAPWGIDSQKTMHI-OAHLLOKOSA-N 0 3 313.376 3.133 20 30 DGEDHN CN1CCN(CCc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC001208926407 1092591105 /nfs/dbraw/zinc/59/11/05/1092591105.db2.gz RMNLLQODYIAEKL-HXUWFJFHSA-N 0 3 305.425 3.089 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(F)F)cc1F ZINC001169221152 1092598029 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C#CCCCN1CCO[C@@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001209262913 1092717508 /nfs/dbraw/zinc/71/75/08/1092717508.db2.gz CFPJOIAPWCIPFM-FQEVSTJZSA-N 0 3 312.457 3.080 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001209335996 1092737615 /nfs/dbraw/zinc/73/76/15/1092737615.db2.gz VBPIAGLSFNQJEW-QGZVFWFLSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001209335258 1092738156 /nfs/dbraw/zinc/73/81/56/1092738156.db2.gz JQZOLZHTRFXNGT-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001150005655 1092748297 /nfs/dbraw/zinc/74/82/97/1092748297.db2.gz JRLHYLHJHOQTHX-ROUUACIJSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001150184928 1092761757 /nfs/dbraw/zinc/76/17/57/1092761757.db2.gz FSSHCEBMJRPIBU-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCCCCCN1CCCn2nnc(COCC3CC3)c2C1 ZINC001209422687 1092767972 /nfs/dbraw/zinc/76/79/72/1092767972.db2.gz GFKWKLBWBZDINI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/95/53/42/1092955342.db2.gz SNQPTYISDBBZMS-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001211398961 1093481842 /nfs/dbraw/zinc/48/18/42/1093481842.db2.gz HNMBQKBMEMUUMB-ZHALLVOQSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)CCCCC1 ZINC001211406056 1093484031 /nfs/dbraw/zinc/48/40/31/1093484031.db2.gz IYOJOWXVIRNNOT-QZTJIDSGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001211435810 1093494046 /nfs/dbraw/zinc/49/40/46/1093494046.db2.gz NBMKJOQDULBKOB-HDMKZQKVSA-N 0 3 318.436 3.017 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@H](OC)C1 ZINC001213300352 1093561100 /nfs/dbraw/zinc/56/11/00/1093561100.db2.gz RJEUDWACTOPJLR-BRWVUGGUSA-N 0 3 324.509 3.208 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC ZINC001213350165 1093570917 /nfs/dbraw/zinc/57/09/17/1093570917.db2.gz KRUHTJURMZXQCE-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCC(C)C)[C@H](OC)C1 ZINC001213480694 1093592441 /nfs/dbraw/zinc/59/24/41/1093592441.db2.gz FAAHRXMCTYEQLR-QZTJIDSGSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)CCCCCC)[C@H](OC)C1 ZINC001213710681 1093646502 /nfs/dbraw/zinc/64/65/02/1093646502.db2.gz BISKOCIWVPKZQQ-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)CCCCCCCC)[C@H](OC)C1 ZINC001213771092 1093657898 /nfs/dbraw/zinc/65/78/98/1093657898.db2.gz SMQITHNXXAPVSE-IAGOWNOFSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)CCCC2CCCCC2)[C@H](OC)C1 ZINC001213817984 1093665725 /nfs/dbraw/zinc/66/57/25/1093665725.db2.gz LAGSIVAYNLVBIC-QZTJIDSGSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](CCC)CC(C)C)[C@H](OC)C1 ZINC001213953707 1093686309 /nfs/dbraw/zinc/68/63/09/1093686309.db2.gz NHSJGWBJZRKNSP-KZNAEPCWSA-N 0 3 324.509 3.230 20 30 DGEDHN C[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214070828 1093707681 /nfs/dbraw/zinc/70/76/81/1093707681.db2.gz 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ZINC001135184423 1094433203 /nfs/dbraw/zinc/43/32/03/1094433203.db2.gz HNVKMMYEYKVDAY-STQMWFEESA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccs1 ZINC001135185027 1094435050 /nfs/dbraw/zinc/43/50/50/1094435050.db2.gz SGYMGSUYYSXAPL-STQMWFEESA-N 0 3 309.479 3.118 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135229771 1094459547 /nfs/dbraw/zinc/45/95/47/1094459547.db2.gz DGWPBZPEKXHMKE-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC001135357433 1094501272 /nfs/dbraw/zinc/50/12/72/1094501272.db2.gz CMZZJGNBBFRXOR-ZIAGYGMSSA-N 0 3 323.868 3.464 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001135358528 1094501965 /nfs/dbraw/zinc/50/19/65/1094501965.db2.gz TXJMICDATGZVEC-HZPDHXFCSA-N 0 3 320.481 3.193 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001135358529 1094502240 /nfs/dbraw/zinc/50/22/40/1094502240.db2.gz TXJMICDATGZVEC-JKSUJKDBSA-N 0 3 320.481 3.193 20 30 DGEDHN CC1(C)N[C@@H](CO[C@H](C#C[Si](C)(C)C)c2ccccc2)CO1 ZINC001217834926 1094502696 /nfs/dbraw/zinc/50/26/96/1094502696.db2.gz UZUARELDKKUEEJ-DLBZAZTESA-N 0 3 317.505 3.350 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OC(Cl)(Cl)c1ccc(Cl)cc1 ZINC001217834228 1094502753 /nfs/dbraw/zinc/50/27/53/1094502753.db2.gz VVOBKXHMHOTKFF-GZMMTYOYSA-N 0 3 305.592 3.056 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135358755 1094503455 /nfs/dbraw/zinc/50/34/55/1094503455.db2.gz XYWOJRIFBDQVKA-OLZOCXBDSA-N 0 3 309.479 3.181 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C(\C)C1CC1)C2 ZINC001120724737 1094504280 /nfs/dbraw/zinc/50/42/80/1094504280.db2.gz KDMRPZOUYSCDNJ-VZUCSPMQSA-N 0 3 308.853 3.112 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@H](C)NCc2cnc(C)o2)CC1 ZINC001135382410 1094510412 /nfs/dbraw/zinc/51/04/12/1094510412.db2.gz HLQZQVZIVBUTQL-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2nccs2)CCC1 ZINC001135391620 1094513253 /nfs/dbraw/zinc/51/32/53/1094513253.db2.gz UKRXVJWPPSJPNL-ZIAGYGMSSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2cc(C)no2)CCC1 ZINC001135390401 1094521884 /nfs/dbraw/zinc/52/18/84/1094521884.db2.gz JRJBEEXKMHLSIN-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2oc(C)nc2C)C1 ZINC001135426890 1094534527 /nfs/dbraw/zinc/53/45/27/1094534527.db2.gz JEXRWPWQJVEVTM-CHWSQXEVSA-N 0 3 319.449 3.021 20 30 DGEDHN CCN(CC)c1ccc(C=[NH+]Cc2cc(C)c[nH]c2=O)c([O-])c1 ZINC001336369921 1094635540 /nfs/dbraw/zinc/63/55/40/1094635540.db2.gz PPIOINZXXVAKQR-YBFXNURJSA-N 0 3 313.401 3.267 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001086764942 1094669035 /nfs/dbraw/zinc/66/90/35/1094669035.db2.gz OVKTUDAZEXIBOY-ZOFXXKQRSA-N 0 3 324.896 3.440 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001135843654 1094708335 /nfs/dbraw/zinc/70/83/35/1094708335.db2.gz WUCGPUOUMZNXKY-GOSISDBHSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C[C@@H](CCCCCC)Oc1ccnc2c3c(nn21)CCNC3 ZINC001218354111 1094732072 /nfs/dbraw/zinc/73/20/72/1094732072.db2.gz BNQMSJWLTBACEU-AWEZNQCLSA-N 0 3 314.433 3.279 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H]2CN(CCF)C[C@H]2C)CCCC1 ZINC001103788268 1094741639 /nfs/dbraw/zinc/74/16/39/1094741639.db2.gz YITDNUBDURCMCM-HZPDHXFCSA-N 0 3 310.457 3.167 20 30 DGEDHN CC1(C)C[C@H](NC[C@H](O)CC2(C#N)CC2)c2cc(F)ccc2O1 ZINC001336834750 1094753746 /nfs/dbraw/zinc/75/37/46/1094753746.db2.gz VDOUSEXBUWHQQK-HIFRSBDPSA-N 0 3 318.392 3.072 20 30 DGEDHN N#Cc1cc(Cl)c(O[C@@H]2CNCCC2(F)F)c(Cl)c1 ZINC001218448677 1094782122 /nfs/dbraw/zinc/78/21/22/1094782122.db2.gz PLHHPOPZKAWSJT-SNVBAGLBSA-N 0 3 307.127 3.241 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@@H](C)c1cccc(OC)c1 ZINC001121848154 1094794142 /nfs/dbraw/zinc/79/41/42/1094794142.db2.gz HRHCLZMNFJMRQK-YOEHRIQHSA-N 0 3 304.434 3.288 20 30 DGEDHN CC(=O)O/N=C(/C)c1ccccc1O[C@H]1CNCc2ccccc21 ZINC001218493450 1094820566 /nfs/dbraw/zinc/82/05/66/1094820566.db2.gz 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1094883240 /nfs/dbraw/zinc/88/32/40/1094883240.db2.gz BAXWCNSOYCZOKB-GZBFAFLISA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1C ZINC001104121788 1094884718 /nfs/dbraw/zinc/88/47/18/1094884718.db2.gz BAXWCNSOYCZOKB-UMVBOHGHSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001086825984 1094943249 /nfs/dbraw/zinc/94/32/49/1094943249.db2.gz QCUSANLFBJTNAU-DRPJVOAASA-N 0 3 310.869 3.050 20 30 DGEDHN C=CCCCN(CC)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001122404446 1094969943 /nfs/dbraw/zinc/96/99/43/1094969943.db2.gz XRBMHZKSYVMRLN-AWEZNQCLSA-N 0 3 309.841 3.248 20 30 DGEDHN N#C[C@H](NC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1)c1ccccc1 ZINC001219557618 1094987740 /nfs/dbraw/zinc/98/77/40/1094987740.db2.gz BTLKFGYDWVTQMY-FHWLQOOXSA-N 0 3 319.408 3.251 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCCc2ccccc2)C1 ZINC001111856874 1094992745 /nfs/dbraw/zinc/99/27/45/1094992745.db2.gz LNYAJQBVEUBGDP-FPOVZHCZSA-N 0 3 324.468 3.003 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001111935622 1095016479 /nfs/dbraw/zinc/01/64/79/1095016479.db2.gz QNBPGUNVPVQYNS-UWVAXJGDSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001111968737 1095021227 /nfs/dbraw/zinc/02/12/27/1095021227.db2.gz ZRAFZHLZIFESKN-CUWPLCDZSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)C(CC)CC)C[C@H]1C(F)(F)F ZINC001112124738 1095036924 /nfs/dbraw/zinc/03/69/24/1095036924.db2.gz VDRXDIQHLGRAAD-MRVWCRGKSA-N 0 3 320.399 3.224 20 30 DGEDHN C=CCCCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220484749 1095103539 /nfs/dbraw/zinc/10/35/39/1095103539.db2.gz SAJVXGFRRUTHDQ-LJQANCHMSA-N 0 3 308.425 3.306 20 30 DGEDHN C=CCCCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220484790 1095104001 /nfs/dbraw/zinc/10/40/01/1095104001.db2.gz UMRLWPRYMUHKBJ-CYBMUJFWSA-N 0 3 301.217 3.466 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001171036887 1095172272 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N#CC1(C[C@H](O)CNCc2ccc(Oc3ccccc3)cn2)CC1 ZINC001338566593 1095337460 /nfs/dbraw/zinc/33/74/60/1095337460.db2.gz LDBVDGLDCSAGNB-INIZCTEOSA-N 0 3 323.396 3.018 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001221750391 1095345474 /nfs/dbraw/zinc/34/54/74/1095345474.db2.gz DOZJHIBPHHVVSE-IAGOWNOFSA-N 0 3 316.445 3.481 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@H]2CCN(C[C@@H](C)OC)C[C@H]21 ZINC001221974014 1095402304 /nfs/dbraw/zinc/40/23/04/1095402304.db2.gz WDMMEKNDBGCRNE-KZNAEPCWSA-N 0 3 324.509 3.305 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCC3CCCCC3)[C@@H]2C1 ZINC001221998141 1095406137 /nfs/dbraw/zinc/40/61/37/1095406137.db2.gz HOIKIDURZLXRDJ-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](CCC)c3ccccc3)[C@@H]2C1 ZINC001222000328 1095406798 /nfs/dbraw/zinc/40/67/98/1095406798.db2.gz BSXMUJOEVUQUPO-VAMGGRTRSA-N 0 3 324.468 3.126 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)CCCC1 ZINC001222158096 1095464581 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1095674652 /nfs/dbraw/zinc/67/46/52/1095674652.db2.gz GHCGMVFJXINGCY-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3ncccc3C)CC2)cc1 ZINC001144580747 1095716545 /nfs/dbraw/zinc/71/65/45/1095716545.db2.gz HSOMESUYKCOZKU-UHFFFAOYSA-N 0 3 306.409 3.415 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCC[C@H](C)CCC)C[C@@H]21 ZINC001222763916 1095746133 /nfs/dbraw/zinc/74/61/33/1095746133.db2.gz YHNXXTZZVBMVRF-KURKYZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001339868875 1095763661 /nfs/dbraw/zinc/76/36/61/1095763661.db2.gz LPDOUPGYFUHOBG-MRXNPFEDSA-N 0 3 319.405 3.015 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)CC1 ZINC001171209496 1095769201 /nfs/dbraw/zinc/76/92/01/1095769201.db2.gz KGZBFFNLIVLNGJ-SFHVURJKSA-N 0 3 319.452 3.307 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1OC ZINC001339907450 1095773850 /nfs/dbraw/zinc/77/38/50/1095773850.db2.gz CHTOQEMOHNDUSG-CVEARBPZSA-N 0 3 302.418 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC001339985921 1095802678 /nfs/dbraw/zinc/80/26/78/1095802678.db2.gz MAVVIZJEXONIAX-CABCVRRESA-N 0 3 320.408 3.228 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC001339985045 1095803176 /nfs/dbraw/zinc/80/31/76/1095803176.db2.gz GXMOVSFTDQPRMJ-RDJZCZTQSA-N 0 3 318.486 3.311 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC001340034113 1095826861 /nfs/dbraw/zinc/82/68/61/1095826861.db2.gz RQUMAHXMACIPPL-CQSZACIVSA-N 0 3 318.808 3.148 20 30 DGEDHN CCc1noc(C2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)n1 ZINC001171223307 1095826982 /nfs/dbraw/zinc/82/69/82/1095826982.db2.gz MIEAGUDVEAMIJL-AWEZNQCLSA-N 0 3 324.428 3.314 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001091229815 1095837619 /nfs/dbraw/zinc/83/76/19/1095837619.db2.gz LCIGCUADOBZTJT-OTTFEQOBSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001091229814 1095838455 /nfs/dbraw/zinc/83/84/55/1095838455.db2.gz LCIGCUADOBZTJT-CPCZMJQVSA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)OCCCCCC)C2)C1 ZINC001276861584 1095859510 /nfs/dbraw/zinc/85/95/10/1095859510.db2.gz FITXKHDWSMZZCL-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(Cl)cs2)C1 ZINC001091266125 1095868158 /nfs/dbraw/zinc/86/81/58/1095868158.db2.gz UHYWIVBEECSJMF-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001144873304 1095882923 /nfs/dbraw/zinc/88/29/23/1095882923.db2.gz NYWWCZPGBOCWNF-SFHVURJKSA-N 0 3 314.473 3.293 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001223220677 1095907683 /nfs/dbraw/zinc/90/76/83/1095907683.db2.gz DKVDSGVDEKQZEB-PMACEKPBSA-N 0 3 324.468 3.032 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCCCC(C)(C)C)CC1 ZINC001223295296 1095927847 /nfs/dbraw/zinc/92/78/47/1095927847.db2.gz VYTXGDLNMSDBJU-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001223402220 1095959286 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C=CCN1CC[C@@H]2CCN(C(=O)[C@H](CC)CC(F)(F)F)C[C@@H]21 ZINC001223921857 1096095639 /nfs/dbraw/zinc/09/56/39/1096095639.db2.gz CCPRLWDQPRQVRX-MCIONIFRSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001276942472 1096124359 /nfs/dbraw/zinc/12/43/59/1096124359.db2.gz XPTUXCHREDVDQC-GFCCVEGCSA-N 0 3 312.866 3.101 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224187479 1096156388 /nfs/dbraw/zinc/15/63/88/1096156388.db2.gz QNYPULSZAYWUEM-CYBMUJFWSA-N 0 3 320.399 3.369 20 30 DGEDHN Cc1ncsc1CN1CCC2(CN(c3ccccc3C#N)C2)C1 ZINC001276953717 1096156592 /nfs/dbraw/zinc/15/65/92/1096156592.db2.gz OVHCOUJNALRGTI-UHFFFAOYSA-N 0 3 324.453 3.036 20 30 DGEDHN N#Cc1ccc(N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1 ZINC001276960616 1096179077 /nfs/dbraw/zinc/17/90/77/1096179077.db2.gz OISPJGAHUXDOQH-HXUWFJFHSA-N 0 3 320.440 3.379 20 30 DGEDHN C=CCCCCO[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001224336496 1096192813 /nfs/dbraw/zinc/19/28/13/1096192813.db2.gz FCGQBXAXFIZJTD-JKSUJKDBSA-N 0 3 324.465 3.053 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001224739190 1096276611 /nfs/dbraw/zinc/27/66/11/1096276611.db2.gz JYVNTASFNHMMAY-SFHVURJKSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC001225149629 1096353287 /nfs/dbraw/zinc/35/32/87/1096353287.db2.gz PHPBPDBOKFVOKE-SFHVURJKSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001148370832 1096359175 /nfs/dbraw/zinc/35/91/75/1096359175.db2.gz FJPGWZKXGZNKPC-UHFFFAOYSA-N 0 3 318.383 3.075 20 30 DGEDHN CC[C@H]1CC[C@H](C(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001148505193 1096388975 /nfs/dbraw/zinc/38/89/75/1096388975.db2.gz WXOFHRUFIPOONF-HDJSIYSDSA-N 0 3 319.474 3.042 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](CC)c3ccccc3)C2)C1 ZINC001148598986 1096401617 /nfs/dbraw/zinc/40/16/17/1096401617.db2.gz IWLFXTFDJLTYPY-SFHVURJKSA-N 0 3 324.468 3.128 20 30 DGEDHN CCCCCCCCC(=O)NCCNCc1ccnc(OC)c1 ZINC001148727778 1096431382 /nfs/dbraw/zinc/43/13/82/1096431382.db2.gz KPIGBGLGUITKSW-UHFFFAOYSA-N 0 3 321.465 3.047 20 30 DGEDHN C=CCC1(C(=O)NCC2CCN(CC#CC)CC2)CCCCC1 ZINC001225535119 1096461703 /nfs/dbraw/zinc/46/17/03/1096461703.db2.gz VXPPFNYISYMJEY-UHFFFAOYSA-N 0 3 316.489 3.365 20 30 DGEDHN O=C(/C=C/C1CC1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225560808 1096467588 /nfs/dbraw/zinc/46/75/88/1096467588.db2.gz VKIWQBGMBOBQSC-ICQOZSIZSA-N 0 3 322.452 3.021 20 30 DGEDHN COc1ccnc(OC2CCN(Cc3ccccc3)CC2)c1C#N ZINC001225565850 1096468473 /nfs/dbraw/zinc/46/84/73/1096468473.db2.gz IBYPAYNRORLQDK-UHFFFAOYSA-N 0 3 323.396 3.005 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001225610778 1096481924 /nfs/dbraw/zinc/48/19/24/1096481924.db2.gz CJFIQSMDKJYMEX-GOSISDBHSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@H](C)C(F)(F)F ZINC001273446605 1096482970 /nfs/dbraw/zinc/48/29/70/1096482970.db2.gz QLFAXJMISSUWGV-ZFWWWQNUSA-N 0 3 318.383 3.218 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001086885807 1096496278 /nfs/dbraw/zinc/49/62/78/1096496278.db2.gz WJKDVNIVJQHAKG-GOEBONIOSA-N 0 3 324.827 3.397 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(F)s2)C1 ZINC001086887624 1096497077 /nfs/dbraw/zinc/49/70/77/1096497077.db2.gz DYJXFFXZTOFYBZ-WDEREUQCSA-N 0 3 316.829 3.128 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cccc(C)c3)C2)CC1 ZINC001086899310 1096498097 /nfs/dbraw/zinc/49/80/97/1096498097.db2.gz GSYAHBPTNCIOFY-GOSISDBHSA-N 0 3 324.468 3.335 20 30 DGEDHN N#Cc1ncccc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001225673507 1096501416 /nfs/dbraw/zinc/50/14/16/1096501416.db2.gz SUWRAWSVVWEEBL-YRWFTTLQSA-N 0 3 319.408 3.243 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3=CCCCC3)C2)CC1 ZINC001086910011 1096504194 /nfs/dbraw/zinc/50/41/94/1096504194.db2.gz JXRCRWLBWGOQIG-KRWDZBQOSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3CCCCCC3)C2)CC1 ZINC001086908055 1096504356 /nfs/dbraw/zinc/50/43/56/1096504356.db2.gz MZNPXCVMVNAUFB-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001225694503 1096507297 /nfs/dbraw/zinc/50/72/97/1096507297.db2.gz OCMXSFVLOGSANI-SFHVURJKSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001086942652 1096516143 /nfs/dbraw/zinc/51/61/43/1096516143.db2.gz XMKYWVHTYBBBMQ-KZNAEPCWSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3CCC(=C)CC3)C2)CC1 ZINC001086941564 1096516714 /nfs/dbraw/zinc/51/67/14/1096516714.db2.gz XQNFYZLVFIKASC-QGZVFWFLSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1 ZINC001086943908 1096517625 /nfs/dbraw/zinc/51/76/25/1096517625.db2.gz IKGIOXWHFRXTQF-RCCFBDPRSA-N 0 3 316.489 3.005 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)C3CCCC3)C2)CC1 ZINC001086952103 1096520500 /nfs/dbraw/zinc/52/05/00/1096520500.db2.gz AGKINKJYJKTLFM-DLBZAZTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)C3CCCC3)C2)CC1 ZINC001086952104 1096520932 /nfs/dbraw/zinc/52/09/32/1096520932.db2.gz AGKINKJYJKTLFM-IAGOWNOFSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001171362215 1096528621 /nfs/dbraw/zinc/52/86/21/1096528621.db2.gz MPHQKNPHDDJYKB-UHFFFAOYSA-N 0 3 304.821 3.108 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001277092895 1096592018 /nfs/dbraw/zinc/59/20/18/1096592018.db2.gz QLXILXQYPASBQH-HNKHHVNMSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CCCCC)C2 ZINC001110133723 1096618182 /nfs/dbraw/zinc/61/81/82/1096618182.db2.gz FFGOKJBUYYGMJG-BDXSIMOUSA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC001226519532 1096711723 /nfs/dbraw/zinc/71/17/23/1096711723.db2.gz ZTUAYVZYMHNVHG-CQSZACIVSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC001226527462 1096713427 /nfs/dbraw/zinc/71/34/27/1096713427.db2.gz KDYIWLPJKXWGHV-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C=CCCC(=O)NC1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001226535493 1096717002 /nfs/dbraw/zinc/71/70/02/1096717002.db2.gz UBROAZJTNALLRU-GFCCVEGCSA-N 0 3 319.276 3.117 20 30 DGEDHN C=CCCCCCN1CC2(C[C@H]2C(=O)Nc2onc(C)c2C)C1 ZINC001277149808 1096758134 /nfs/dbraw/zinc/75/81/34/1096758134.db2.gz FINPRUUXHYWFRV-HNNXBMFYSA-N 0 3 317.433 3.298 20 30 DGEDHN C#CCCCCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001226952356 1096825334 /nfs/dbraw/zinc/82/53/34/1096825334.db2.gz ZECXYDIUKADFLA-XFXZXTDPSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCCCCCCCN1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001277169923 1096830910 /nfs/dbraw/zinc/83/09/10/1096830910.db2.gz JIGYLWSVNMCMPA-KRWDZBQOSA-N 0 3 302.462 3.233 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3csc(Cl)c3)CCC[C@@H]12 ZINC001094529448 1096845507 /nfs/dbraw/zinc/84/55/07/1096845507.db2.gz UVYAGYKYWKJMFF-CZUORRHYSA-N 0 3 322.861 3.009 20 30 DGEDHN N#Cc1ccc([O-])c(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001227344931 1096918625 /nfs/dbraw/zinc/91/86/25/1096918625.db2.gz HHJGHSRFEOKASS-KRWDZBQOSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccc([O-])c(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227344931 1096918629 /nfs/dbraw/zinc/91/86/29/1096918629.db2.gz HHJGHSRFEOKASS-KRWDZBQOSA-N 0 3 308.381 3.307 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001277202181 1096919451 /nfs/dbraw/zinc/91/94/51/1096919451.db2.gz IKZGLELAXFFNGD-HOTGVXAUSA-N 0 3 304.478 3.101 20 30 DGEDHN C=CCC(CC=C)C(=O)NC1CCN(CCOCC(C)C)CC1 ZINC001227520578 1096943151 /nfs/dbraw/zinc/94/31/51/1096943151.db2.gz OECLHFZINCAALC-UHFFFAOYSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)CC1CC(F)(F)C1 ZINC001277227320 1096965336 /nfs/dbraw/zinc/96/53/36/1096965336.db2.gz IXQQVPTWRSDBTE-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001171788260 1096978481 /nfs/dbraw/zinc/97/84/81/1096978481.db2.gz ZQGSVEDFEQBHPB-INIZCTEOSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc(C(C)C)n1 ZINC001277236954 1096981800 /nfs/dbraw/zinc/98/18/00/1096981800.db2.gz HZUVHJGSTMBRPX-AWEZNQCLSA-N 0 3 323.868 3.446 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCCN(C)Cc2ccccn2)CC1 ZINC001280857812 1096987749 /nfs/dbraw/zinc/98/77/49/1096987749.db2.gz VSMGNLDHJFBKGH-UHFFFAOYSA-N 0 3 315.461 3.108 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228413912 1097116907 /nfs/dbraw/zinc/11/69/07/1097116907.db2.gz VNUVMXMOTNYQJM-ZHALLVOQSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001228621703 1097154130 /nfs/dbraw/zinc/15/41/30/1097154130.db2.gz DUUSARNHAHCBKA-DHZHZOJOSA-N 0 3 312.457 3.493 20 30 DGEDHN C[C@@H](CCCC#N)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001172498971 1097171066 /nfs/dbraw/zinc/17/10/66/1097171066.db2.gz QCCXKFFKSNRNQW-AEGPPILISA-N 0 3 303.431 3.010 20 30 DGEDHN C[C@@H](CCCC#N)N1CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001172499871 1097172211 /nfs/dbraw/zinc/17/22/11/1097172211.db2.gz GFXLDXWQEFBPSN-MJBXVCDLSA-N 0 3 313.417 3.006 20 30 DGEDHN C[C@H](CCCC#N)N1CCN(c2nccc3ccccc32)CC1 ZINC001172507691 1097174250 /nfs/dbraw/zinc/17/42/50/1097174250.db2.gz YKRFGOHUICDWGG-MRXNPFEDSA-N 0 3 308.429 3.439 20 30 DGEDHN C[C@H](CCCC#N)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001172507405 1097174330 /nfs/dbraw/zinc/17/43/30/1097174330.db2.gz SZGGAZWMNUYFKC-CQSZACIVSA-N 0 3 309.454 3.400 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001229017462 1097238943 /nfs/dbraw/zinc/23/89/43/1097238943.db2.gz STAFTLWXPYHZLE-LJQANCHMSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCC1(C(=O)NC2CCN(CCOCCCC)CC2)CCC1 ZINC001229024059 1097239650 /nfs/dbraw/zinc/23/96/50/1097239650.db2.gz DZLPBBFLUAHRKF-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c(C)nsc1C ZINC001277363041 1097273099 /nfs/dbraw/zinc/27/30/99/1097273099.db2.gz QHUFZIINAUFHGL-SNVBAGLBSA-N 0 3 315.870 3.001 20 30 DGEDHN C[C@H]1CC[C@H](N2CCC(C)(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173067815 1097321610 /nfs/dbraw/zinc/32/16/10/1097321610.db2.gz YZHZSZHHGRHCIF-GJZGRUSLSA-N 0 3 321.465 3.400 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)CCCF)CC1 ZINC001277394006 1097335680 /nfs/dbraw/zinc/33/56/80/1097335680.db2.gz WRMMEGMPZLWBCC-UHFFFAOYSA-N 0 3 316.848 3.192 20 30 DGEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC)OCC ZINC001277431717 1097412767 /nfs/dbraw/zinc/41/27/67/1097412767.db2.gz KXJPJKVYCJULEM-KSZLIROESA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCOC1CCC(N2CC3(C2)CC(F)(F)CS3)CC1 ZINC001173326653 1097418365 /nfs/dbraw/zinc/41/83/65/1097418365.db2.gz LZALURXYUXKZNB-UHFFFAOYSA-N 0 3 303.418 3.327 20 30 DGEDHN CC1(C#N)CCC(N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001173598764 1097469060 /nfs/dbraw/zinc/46/90/60/1097469060.db2.gz VMCNKFKKQJLVAC-UHFFFAOYSA-N 0 3 318.852 3.329 20 30 DGEDHN COC(=O)c1ccc(C[C@H](C)NCc2ccccc2C#N)cc1 ZINC001173716428 1097500645 /nfs/dbraw/zinc/50/06/45/1097500645.db2.gz XWZOJXAGNZHWOH-AWEZNQCLSA-N 0 3 308.381 3.066 20 30 DGEDHN COC(=O)c1ccc(C[C@@H](C)NC2(CC#N)CCCC2)cc1 ZINC001173721459 1097502114 /nfs/dbraw/zinc/50/21/14/1097502114.db2.gz BBFNGAUZMUXWDK-CQSZACIVSA-N 0 3 300.402 3.220 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C#CC(C)C)CC1 ZINC001230564494 1097514801 /nfs/dbraw/zinc/51/48/01/1097514801.db2.gz UIPFAUJXSJOYTC-KRWDZBQOSA-N 0 3 322.880 3.101 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230659400 1097547880 /nfs/dbraw/zinc/54/78/80/1097547880.db2.gz SVLNGFSEQOKDBI-MRXNPFEDSA-N 0 3 304.434 3.481 20 30 DGEDHN COC(=O)c1cc(C#N)cc(C)c1Nc1ccccc1CN(C)C ZINC001173931739 1097556865 /nfs/dbraw/zinc/55/68/65/1097556865.db2.gz NPANZKSJNWVHFX-UHFFFAOYSA-N 0 3 323.396 3.459 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848175 1097606672 /nfs/dbraw/zinc/60/66/72/1097606672.db2.gz BKDPZUUNLHGLKM-HUUCEWRRSA-N 0 3 300.512 3.241 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230939835 1097627352 /nfs/dbraw/zinc/62/73/52/1097627352.db2.gz VDJAHIXZRGXVLM-INIZCTEOSA-N 0 3 312.523 3.409 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231095014 1097667791 /nfs/dbraw/zinc/66/77/91/1097667791.db2.gz MCSXRNZQXAQYBR-MSOLQXFVSA-N 0 3 324.509 3.471 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](C)CCCC)C2)CC1 ZINC001277490365 1097680034 /nfs/dbraw/zinc/68/00/34/1097680034.db2.gz QFKZVXCBNFPYDU-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCCC1CCOCC1 ZINC001231168786 1097686157 /nfs/dbraw/zinc/68/61/57/1097686157.db2.gz ARMPDQXOIPCVHS-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN N#Cc1ncc(F)cc1N=C1CCCN(Cc2ccccc2)C1 ZINC001174395114 1097689856 /nfs/dbraw/zinc/68/98/56/1097689856.db2.gz SQSQFAWZPCVTSJ-UHFFFAOYSA-N 0 3 308.360 3.294 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001231407024 1097741545 /nfs/dbraw/zinc/74/15/45/1097741545.db2.gz FANQIFDCYFZEFM-INIZCTEOSA-N 0 3 316.449 3.003 20 30 DGEDHN COCCCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001231510557 1097768016 /nfs/dbraw/zinc/76/80/16/1097768016.db2.gz YXOUSFWGKXMRBW-INIZCTEOSA-N 0 3 302.418 3.228 20 30 DGEDHN COCCCOc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001231509724 1097768447 /nfs/dbraw/zinc/76/84/47/1097768447.db2.gz KFANIVWVJGDEQU-NNZMDNLPSA-N 0 3 314.429 3.368 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](CC(=O)OCC)C2)c1 ZINC001231620934 1097793440 /nfs/dbraw/zinc/79/34/40/1097793440.db2.gz IOHFEEYGEMRZMI-QGZVFWFLSA-N 0 3 317.429 3.417 20 30 DGEDHN C#Cc1cccc(CN2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC001231660610 1097805719 /nfs/dbraw/zinc/80/57/19/1097805719.db2.gz ISHSWTFLPMFRDR-UHFFFAOYSA-N 0 3 324.468 3.329 20 30 DGEDHN C#Cc1cccc(CN2CCCN(c3ncccc3C)CC2)c1 ZINC001231659030 1097806532 /nfs/dbraw/zinc/80/65/32/1097806532.db2.gz DJMZBLYYZNXAHK-UHFFFAOYSA-N 0 3 305.425 3.084 20 30 DGEDHN C#Cc1cccc(CN2CCC(Oc3ccc(F)cn3)CC2)c1 ZINC001231662746 1097808686 /nfs/dbraw/zinc/80/86/86/1097808686.db2.gz GPPMXOPDFGITDG-UHFFFAOYSA-N 0 3 310.372 3.245 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1nccn1CC ZINC001174987908 1097918372 /nfs/dbraw/zinc/91/83/72/1097918372.db2.gz SAVVFCUOEIYJDO-MRXNPFEDSA-N 0 3 320.481 3.024 20 30 DGEDHN COc1ccc(-c2c(CN3CCC(CC#N)CC3)cnn2C)cc1 ZINC001232113987 1097942501 /nfs/dbraw/zinc/94/25/01/1097942501.db2.gz QPMYQYOXXOTPES-UHFFFAOYSA-N 0 3 324.428 3.221 20 30 DGEDHN C#CC1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232200104 1097963772 /nfs/dbraw/zinc/96/37/72/1097963772.db2.gz QDAMVIHNTMSXOP-UHFFFAOYSA-N 0 3 318.848 3.022 20 30 DGEDHN COC(=O)c1cccc(CN[C@H](C)[C@]23C[C@H]2CCCC3)c1C#N ZINC001175292193 1097991291 /nfs/dbraw/zinc/99/12/91/1097991291.db2.gz BYMCYWAFSCPKGQ-MUKKUYKPSA-N 0 3 312.413 3.403 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001175468531 1098054114 /nfs/dbraw/zinc/05/41/14/1098054114.db2.gz GLALZGYOHSPXHO-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN Cc1ncc(C#N)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505045 1098075619 /nfs/dbraw/zinc/07/56/19/1098075619.db2.gz MEIWOEVXMREDQU-UHFFFAOYSA-N 0 3 304.397 3.463 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](CNCc1ccns1)C1CC1 ZINC001277692413 1098102729 /nfs/dbraw/zinc/10/27/29/1098102729.db2.gz BTVQKXYWXCACJX-DOTOQJQBSA-N 0 3 321.490 3.072 20 30 DGEDHN COC(=O)c1cccc2c(CN3CCC[C@H](CC#N)C3)c[nH]c21 ZINC001232708130 1098118798 /nfs/dbraw/zinc/11/87/98/1098118798.db2.gz IUDFBQOGPNPGNY-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)c(C#N)c1 ZINC001232965179 1098185254 /nfs/dbraw/zinc/18/52/54/1098185254.db2.gz OYJBQMPCSRFOPY-VQTJNVASSA-N 0 3 306.409 3.045 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c(C#N)c1 ZINC001232968639 1098187073 /nfs/dbraw/zinc/18/70/73/1098187073.db2.gz JYMICNDRLLPEHM-RBUKOAKNSA-N 0 3 315.436 3.265 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccsc3Cl)C2)C1=O ZINC001233057143 1098215423 /nfs/dbraw/zinc/21/54/23/1098215423.db2.gz SSDSLENICYENDR-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001233083106 1098222434 /nfs/dbraw/zinc/22/24/34/1098222434.db2.gz URWKZCBLBCZNGO-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN CN(C)c1ccc(CN2CCc3ccccc3CC2)c(F)c1C#N ZINC001233100192 1098226811 /nfs/dbraw/zinc/22/68/11/1098226811.db2.gz BWOMZGCJYWHMHM-UHFFFAOYSA-N 0 3 323.415 3.364 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001277772290 1098244404 /nfs/dbraw/zinc/24/44/04/1098244404.db2.gz VOFNGKMBWLCBSV-KGLIPLIRSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cc(C)ns1)C2 ZINC001233310604 1098281788 /nfs/dbraw/zinc/28/17/88/1098281788.db2.gz NZGXYSYIZNZYFZ-DLBZAZTESA-N 0 3 322.474 3.025 20 30 DGEDHN C[C@H](CCCCNCc1ccccc1C#N)NC(=O)C(C)(C)C ZINC001176285691 1098300070 /nfs/dbraw/zinc/30/00/70/1098300070.db2.gz OVIRTGJWEUGTKN-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ncccc1C ZINC001233528642 1098366071 /nfs/dbraw/zinc/36/60/71/1098366071.db2.gz CEPCNQYGRHGUBV-KRWDZBQOSA-N 0 3 315.461 3.283 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCOC1 ZINC001233581909 1098382784 /nfs/dbraw/zinc/38/27/84/1098382784.db2.gz UUAHVROBGXDGLE-ZWKOTPCHSA-N 0 3 324.509 3.306 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001233634445 1098394645 /nfs/dbraw/zinc/39/46/45/1098394645.db2.gz LOBBTBFPONCPRZ-SJORKVTESA-N 0 3 310.482 3.059 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CO[C@@H](C)CC ZINC001233731573 1098418586 /nfs/dbraw/zinc/41/85/86/1098418586.db2.gz NRYNHCXXMMXPID-IRXDYDNUSA-N 0 3 310.482 3.081 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001233800850 1098433411 /nfs/dbraw/zinc/43/34/11/1098433411.db2.gz KTARSNQHSRKMGF-INIZCTEOSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001233800207 1098433634 /nfs/dbraw/zinc/43/36/34/1098433634.db2.gz FAQHSVFHMZAEIJ-MRXNPFEDSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001233866283 1098445215 /nfs/dbraw/zinc/44/52/15/1098445215.db2.gz ONTLPGNYZBXROC-QGZVFWFLSA-N 0 3 317.477 3.226 20 30 DGEDHN N#Cc1cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)ccc1Cl ZINC001233926330 1098459382 /nfs/dbraw/zinc/45/93/82/1098459382.db2.gz YPJOPLOROVJBDQ-SHTZXODSSA-N 0 3 320.820 3.234 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001233967355 1098468401 /nfs/dbraw/zinc/46/84/01/1098468401.db2.gz ZPLUXISUBWZAIM-MSOLQXFVSA-N 0 3 312.457 3.392 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233989901 1098472353 /nfs/dbraw/zinc/47/23/53/1098472353.db2.gz FNSSCZGTIYDDFO-MRXNPFEDSA-N 0 3 303.450 3.216 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccoc1CC ZINC001233990006 1098472704 /nfs/dbraw/zinc/47/27/04/1098472704.db2.gz GPJFOGNJMMWTBN-GJZGRUSLSA-N 0 3 304.434 3.343 20 30 DGEDHN CC[C@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234131822 1098501985 /nfs/dbraw/zinc/50/19/85/1098501985.db2.gz SPXIEMGLWRDJCA-RTBURBONSA-N 0 3 312.457 3.330 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CC/C=C\c1ccccc1 ZINC001234159877 1098507755 /nfs/dbraw/zinc/50/77/55/1098507755.db2.gz CHJQPUJUSXCAHH-RVPHRTOXSA-N 0 3 324.468 3.282 20 30 DGEDHN CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206201 1098514841 /nfs/dbraw/zinc/51/48/41/1098514841.db2.gz OPWLIDLBMZQNOQ-XZVRFQMRSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC1(COC)CC1 ZINC001234233573 1098519349 /nfs/dbraw/zinc/51/93/49/1098519349.db2.gz CQUHBFQELRNLBX-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)noc1CCC ZINC001234246133 1098521065 /nfs/dbraw/zinc/52/10/65/1098521065.db2.gz JCQAIKVLBXOUGR-HNNXBMFYSA-N 0 3 319.449 3.048 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCCCCC ZINC001234277199 1098527240 /nfs/dbraw/zinc/52/72/40/1098527240.db2.gz XHVSZYGMIKSPIM-QZTJIDSGSA-N 0 3 324.509 3.471 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234357431 1098543022 /nfs/dbraw/zinc/54/30/22/1098543022.db2.gz QZBJJEOGFWMZLM-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001234517051 1098577955 /nfs/dbraw/zinc/57/79/55/1098577955.db2.gz IIXRXQIOBQPWBP-KRWDZBQOSA-N 0 3 310.457 3.427 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCCO1 ZINC001234536021 1098586622 /nfs/dbraw/zinc/58/66/22/1098586622.db2.gz AWQIBANRVFRSGJ-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(C)C[C@H]1CCN1CC/C=C\CC)OCC ZINC001234644989 1098629227 /nfs/dbraw/zinc/62/92/27/1098629227.db2.gz XUKNZDXEXVJQEH-GNBGVQPESA-N 0 3 322.493 3.247 20 30 DGEDHN C=C(C)CC[NH2+]CCCCCCNC(=O)c1ccccc1[O-] ZINC001177906643 1098642976 /nfs/dbraw/zinc/64/29/76/1098642976.db2.gz BUVXWABYTWEBEU-UHFFFAOYSA-N 0 3 304.434 3.238 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)[C@@H]1C ZINC001178316200 1098793964 /nfs/dbraw/zinc/79/39/64/1098793964.db2.gz YNMBYSOPQFZIFK-ZQIUZPCESA-N 0 3 304.409 3.432 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235105606 1098804797 /nfs/dbraw/zinc/80/47/97/1098804797.db2.gz KJRSRYUIMVXOOA-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235105108 1098805449 /nfs/dbraw/zinc/80/54/49/1098805449.db2.gz IMSJUKIWYSOYCP-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001178582244 1098865283 /nfs/dbraw/zinc/86/52/83/1098865283.db2.gz STTQGAHQTHZZNE-YJBOKZPZSA-N 0 3 316.420 3.017 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235194755 1098870701 /nfs/dbraw/zinc/87/07/01/1098870701.db2.gz YCDIFONJVLUXQD-QGZVFWFLSA-N 0 3 324.509 3.306 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001178645382 1098895501 /nfs/dbraw/zinc/89/55/01/1098895501.db2.gz JKAHEZSNWDWWEQ-YJBOKZPZSA-N 0 3 324.424 3.171 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001178795341 1098932985 /nfs/dbraw/zinc/93/29/85/1098932985.db2.gz MLTXVKYEDMNTBX-ZFWWWQNUSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001235353025 1098974592 /nfs/dbraw/zinc/97/45/92/1098974592.db2.gz FPHVKQSLBGLNDH-DZGCQCFKSA-N 0 3 322.399 3.466 20 30 DGEDHN CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CCCCC#N ZINC001277947939 1099058597 /nfs/dbraw/zinc/05/85/97/1099058597.db2.gz BAQZXLUCCGVFQO-GBESFXJTSA-N 0 3 321.509 3.282 20 30 DGEDHN C=CCCCC(=O)NCCCCCCNCc1ocnc1C ZINC001179425594 1099101541 /nfs/dbraw/zinc/10/15/41/1099101541.db2.gz ACUMBNRPAIQMOR-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)[C@@H]1C ZINC001179452270 1099104351 /nfs/dbraw/zinc/10/43/51/1099104351.db2.gz QCCMXVNEPDYJNU-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN N#CCCN(Cc1ccc2n1CCNC2)C1CCCCCCC1 ZINC001235662870 1099112260 /nfs/dbraw/zinc/11/22/60/1099112260.db2.gz CAVLKDMSZFEWEC-UHFFFAOYSA-N 0 3 314.477 3.420 20 30 DGEDHN N#Cc1cccc(CN2CCN[C@@H](c3ccccc3)C2)c1Cl ZINC001235852926 1099213312 /nfs/dbraw/zinc/21/33/12/1099213312.db2.gz JCWMUHWZICBQMT-QGZVFWFLSA-N 0 3 311.816 3.358 20 30 DGEDHN Cc1nc2cc(CN3CCC4SC(=O)C=C4C3)ccc2s1 ZINC001235860943 1099223975 /nfs/dbraw/zinc/22/39/75/1099223975.db2.gz QEFGIABPEGZWLS-CQSZACIVSA-N 0 3 316.451 3.379 20 30 DGEDHN C[C@H](CCC#N)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001180364308 1099399243 /nfs/dbraw/zinc/39/92/43/1099399243.db2.gz RTZKKYKRXGFFMR-OAHLLOKOSA-N 0 3 305.853 3.397 20 30 DGEDHN Cc1nc(-c2ccc(CN3CCCCC3)c(F)c2)cnc1C#N ZINC001236244882 1099498583 /nfs/dbraw/zinc/49/85/83/1099498583.db2.gz OMSVKAHJEYMYNS-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001188040659 1099660598 /nfs/dbraw/zinc/66/05/98/1099660598.db2.gz UVXGREACZVRSDS-COXPPRJISA-N 0 3 318.848 3.289 20 30 DGEDHN CCCCCCCCS(=O)(=O)N1CC[C@@H](N(CC)CC)C1 ZINC001188011337 1099664175 /nfs/dbraw/zinc/66/41/75/1099664175.db2.gz YVIDKDLOJWREHH-MRXNPFEDSA-N 0 3 318.527 3.093 20 30 DGEDHN CCCCCCCCS(=O)(=O)NC1CCN(C(C)C)CC1 ZINC001188021270 1099668097 /nfs/dbraw/zinc/66/80/97/1099668097.db2.gz NZIOKRRWYYSFLP-UHFFFAOYSA-N 0 3 318.527 3.139 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C1CCC(CCCC)CC1 ZINC001278010658 1099785761 /nfs/dbraw/zinc/78/57/61/1099785761.db2.gz WKCTUVCSFXUDPT-AOCRQIFASA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCC[C@H]1CNCCF)c1ccccc1 ZINC001278015308 1099809651 /nfs/dbraw/zinc/80/96/51/1099809651.db2.gz BMTQBLCSUDLXMG-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001188820789 1099868253 /nfs/dbraw/zinc/86/82/53/1099868253.db2.gz JWVFFIPZOJQGTH-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCC(C)(C)c1ccccc1 ZINC001278033895 1099894327 /nfs/dbraw/zinc/89/43/27/1099894327.db2.gz KJSAHSNKFCRMPH-KRWDZBQOSA-N 0 3 314.473 3.204 20 30 DGEDHN O=C1C=C2CN(Cc3cc(O)cc4ccccc43)CCC2S1 ZINC001237068832 1099951915 /nfs/dbraw/zinc/95/19/15/1099951915.db2.gz PVLIUUXCESEIAZ-KRWDZBQOSA-N 0 3 311.406 3.320 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189707133 1100116537 /nfs/dbraw/zinc/11/65/37/1100116537.db2.gz QVRHKIKPIOOQKD-YPNIWSFNSA-N 0 3 324.468 3.426 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189707131 1100116702 /nfs/dbraw/zinc/11/67/02/1100116702.db2.gz QVRHKIKPIOOQKD-KTZABMDBSA-N 0 3 324.468 3.426 20 30 DGEDHN COc1cccc(C[C@H]2CCCN(Cc3ccnc(C#N)c3)C2)c1 ZINC001237469412 1100134420 /nfs/dbraw/zinc/13/44/20/1100134420.db2.gz UWEYYKIHWMKRCL-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc4c3CCC4)CC2)C1=O ZINC001273588744 1100144332 /nfs/dbraw/zinc/14/43/32/1100144332.db2.gz CBQDNXVEMGGEIH-UHFFFAOYSA-N 0 3 324.468 3.176 20 30 DGEDHN O=c1[nH]c2ccccc2c(Cl)c1CN1CCC(S)CC1 ZINC001237500196 1100147805 /nfs/dbraw/zinc/14/78/05/1100147805.db2.gz JZMLTMUDEVIRIM-UHFFFAOYSA-N 0 3 308.834 3.488 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001190281786 1100241418 /nfs/dbraw/zinc/24/14/18/1100241418.db2.gz JGRYUUXCRHJBLL-NZSAHSFTSA-N 0 3 310.441 3.065 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC2CCCC2)C1 ZINC001190812119 1100351651 /nfs/dbraw/zinc/35/16/51/1100351651.db2.gz TTYVYOKFGZKCFF-QZTJIDSGSA-N 0 3 324.509 3.089 20 30 DGEDHN Cc1ncncc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001238170985 1100377743 /nfs/dbraw/zinc/37/77/43/1100377743.db2.gz ROALOTYLTZKDKS-UHFFFAOYSA-N 0 3 306.413 3.111 20 30 DGEDHN CC(C)Oc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001238694602 1100503171 /nfs/dbraw/zinc/50/31/71/1100503171.db2.gz HZEFQTZTLMSGFR-INIZCTEOSA-N 0 3 321.417 3.387 20 30 DGEDHN CCc1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238778952 1100528304 /nfs/dbraw/zinc/52/83/04/1100528304.db2.gz RBOIGKPHTAXESR-KRWDZBQOSA-N 0 3 314.429 3.284 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001191912459 1100536409 /nfs/dbraw/zinc/53/64/09/1100536409.db2.gz OXVXKEHCDNVSIR-ZWKOTPCHSA-N 0 3 324.509 3.184 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191890674 1100540675 /nfs/dbraw/zinc/54/06/75/1100540675.db2.gz SUVKXPAIFRAWLW-MAUKXSAKSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001191889879 1100541027 /nfs/dbraw/zinc/54/10/27/1100541027.db2.gz LXVLQKIUFUUJQG-CRAIPNDOSA-N 0 3 318.436 3.461 20 30 DGEDHN CCCCCCCNC(=O)Nc1sc2c(c1C#N)CCNC2 ZINC001239181665 1100590939 /nfs/dbraw/zinc/59/09/39/1100590939.db2.gz GFHSSMSONWIIPE-UHFFFAOYSA-N 0 3 320.462 3.357 20 30 DGEDHN CC[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(F)c(C#N)c1 ZINC001152013632 1100596078 /nfs/dbraw/zinc/59/60/78/1100596078.db2.gz OUWHEDTVFNWCHN-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN C#CCNC(=O)CN[C@@H](c1ccc(CCCC)cc1)C(C)C ZINC001192358008 1100609698 /nfs/dbraw/zinc/60/96/98/1100609698.db2.gz BPQCHKBTTMAXEE-LJQANCHMSA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1C ZINC001278293291 1100625060 /nfs/dbraw/zinc/62/50/60/1100625060.db2.gz LLFZCVLWOIBTEL-SUMWQHHRSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCCc2ccc(F)cc2)C1 ZINC001192521798 1100628269 /nfs/dbraw/zinc/62/82/69/1100628269.db2.gz DUTDKKDPBGUXTK-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001192577114 1100637701 /nfs/dbraw/zinc/63/77/01/1100637701.db2.gz CFYBUBACLLAPNY-KRWDZBQOSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001278294832 1100643676 /nfs/dbraw/zinc/64/36/76/1100643676.db2.gz WSGZCACUPZGJCW-CZUORRHYSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432490 1100745954 /nfs/dbraw/zinc/74/59/54/1100745954.db2.gz KMNATFZVKFYQGP-IRXDYDNUSA-N 0 3 324.509 3.184 20 30 DGEDHN C#CCCCCCCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001194107357 1100867126 /nfs/dbraw/zinc/86/71/26/1100867126.db2.gz IMVNSYNTTOGNBN-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@]23CCN(CCCC)C3=O)cc1 ZINC001273671375 1100878400 /nfs/dbraw/zinc/87/84/00/1100878400.db2.gz DHTLDYMNAUTSIT-HXUWFJFHSA-N 0 3 310.441 3.035 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001194164933 1100880266 /nfs/dbraw/zinc/88/02/66/1100880266.db2.gz VLJPUYKEYSLWRE-QAPCUYQASA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCC2CC2)C12CCC2 ZINC001203296626 1100906423 /nfs/dbraw/zinc/90/64/23/1100906423.db2.gz TUHNMJWDCYCFSK-GJZGRUSLSA-N 0 3 310.869 3.336 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cccc(F)c3C#N)c2)CC1 ZINC001240292696 1100928084 /nfs/dbraw/zinc/92/80/84/1100928084.db2.gz GMCOUTYPFHXNLG-UHFFFAOYSA-N 0 3 309.388 3.112 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)CCc2ccccc2)C1 ZINC001194381778 1100930295 /nfs/dbraw/zinc/93/02/95/1100930295.db2.gz NICJHIDCNFJRCT-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccc(CC#N)cc3F)cc2)CC1 ZINC001240402498 1100978831 /nfs/dbraw/zinc/97/88/31/1100978831.db2.gz NSBJOXNVWMMEAU-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CN1CCN(Cc2ccc(-c3ccc(F)cc3CC#N)cc2)CC1 ZINC001240408681 1100984085 /nfs/dbraw/zinc/98/40/85/1100984085.db2.gz QCMBAGQLXPTXEY-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CCCCCCC)CC1 ZINC001195124303 1101077277 /nfs/dbraw/zinc/07/72/77/1101077277.db2.gz BOALFLCZDJCPSI-GOSISDBHSA-N 0 3 324.509 3.472 20 30 DGEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001195271459 1101108698 /nfs/dbraw/zinc/10/86/98/1101108698.db2.gz MFDVFVDNMFIRKW-RCCFBDPRSA-N 0 3 324.509 3.111 20 30 DGEDHN C#CCCCCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001195563248 1101160695 /nfs/dbraw/zinc/16/06/95/1101160695.db2.gz ZUHFRNUUVTXTAC-UHFFFAOYSA-N 0 3 318.486 3.019 20 30 DGEDHN C#CCCCCC(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001195562560 1101160731 /nfs/dbraw/zinc/16/07/31/1101160731.db2.gz JJUFIHCYPQXGFC-GOSISDBHSA-N 0 3 312.457 3.476 20 30 DGEDHN C#CCCCC(=O)N1CCCN([C@@H](C)c2cccc(C)c2)CC1 ZINC001195681922 1101173744 /nfs/dbraw/zinc/17/37/44/1101173744.db2.gz LJKHTPJVLRAJQF-SFHVURJKSA-N 0 3 312.457 3.394 20 30 DGEDHN CC(C)C#CC(=O)N1CCCN(CC/C=C\c2ccccc2)CC1 ZINC001195775162 1101199765 /nfs/dbraw/zinc/19/97/65/1101199765.db2.gz OVPVDKDTLKBIRI-WDZFZDKYSA-N 0 3 324.468 3.284 20 30 DGEDHN CC(C)C#CC(=O)N1CCCN(CCCC2CCCC2)CC1 ZINC001195774811 1101199964 /nfs/dbraw/zinc/19/99/64/1101199964.db2.gz CDVINDMKTQGKCE-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001196003397 1101234672 /nfs/dbraw/zinc/23/46/72/1101234672.db2.gz ILFSZGQLZNWRCA-UHFFFAOYSA-N 0 3 300.446 3.386 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001273721471 1101311013 /nfs/dbraw/zinc/31/10/13/1101311013.db2.gz UBPYIRGFNODHPE-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(CC)s2)C1=O ZINC001273727386 1101366715 /nfs/dbraw/zinc/36/67/15/1101366715.db2.gz MHZLTCRACGXCKZ-KRWDZBQOSA-N 0 3 304.459 3.063 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCCN(CC/C=C\CC)CC2)cc1 ZINC001196710517 1101366935 /nfs/dbraw/zinc/36/69/35/1101366935.db2.gz KMWDRADVJGWGQO-WAYWQWQTSA-N 0 3 310.441 3.172 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001196799791 1101391222 /nfs/dbraw/zinc/39/12/22/1101391222.db2.gz UYQOWRYXZZDSIB-MRXNPFEDSA-N 0 3 300.462 3.485 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196881178 1101412658 /nfs/dbraw/zinc/41/26/58/1101412658.db2.gz QOBGFTMOKZOBOA-GOSISDBHSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001197221156 1101501198 /nfs/dbraw/zinc/50/11/98/1101501198.db2.gz MTWVJLVMSLSGOZ-LMMKCTJWSA-N 0 3 324.509 3.111 20 30 DGEDHN N#CCOc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1 ZINC001241503101 1101515421 /nfs/dbraw/zinc/51/54/21/1101515421.db2.gz IKAORQUYCQESLU-UHFFFAOYSA-N 0 3 305.381 3.273 20 30 DGEDHN C=CC1(CC(=O)N2CCCN(C[C@H](C)OC)CC2)CCCCC1 ZINC001197440395 1101559976 /nfs/dbraw/zinc/55/99/76/1101559976.db2.gz FILKPFCIVOSBCK-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ncccc2F)CC1 ZINC001197545240 1101594071 /nfs/dbraw/zinc/59/40/71/1101594071.db2.gz JDAGODSNGUBDHN-UHFFFAOYSA-N 0 3 321.440 3.339 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2C[C@@H](C)CC(F)(F)F)C1=O ZINC001273747221 1101595306 /nfs/dbraw/zinc/59/53/06/1101595306.db2.gz LXABADSZUKASNY-DZGCQCFKSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCCN1CCCN(C(=O)C(C)(C)CC(F)(F)F)CC1 ZINC001197714011 1101649666 /nfs/dbraw/zinc/64/96/66/1101649666.db2.gz QVTREKNGLGUNDS-UHFFFAOYSA-N 0 3 306.372 3.075 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC001198053135 1101737597 /nfs/dbraw/zinc/73/75/97/1101737597.db2.gz GBADFZNRNYKJQY-ZDUSSCGKSA-N 0 3 321.490 3.263 20 30 DGEDHN CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)CCCCCCCC)C1 ZINC001198080172 1101750303 /nfs/dbraw/zinc/75/03/03/1101750303.db2.gz CBUWVNSGCMKBEI-IGCXZHCHSA-N 0 3 324.509 3.255 20 30 DGEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCCCCCCC)C1 ZINC001198081726 1101750768 /nfs/dbraw/zinc/75/07/68/1101750768.db2.gz RQDJOTCPHRXHQO-QZTJIDSGSA-N 0 3 324.509 3.255 20 30 DGEDHN C#Cc1cccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)c1 ZINC001241920234 1101781321 /nfs/dbraw/zinc/78/13/21/1101781321.db2.gz UGVQIMKXDCGQGV-UHFFFAOYSA-N 0 3 305.425 3.260 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC[C@H](C)F)CC2)CCCCC1 ZINC001198316215 1101815899 /nfs/dbraw/zinc/81/58/99/1101815899.db2.gz WEWAWLHGORMTQZ-KRWDZBQOSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC001198358671 1101841652 /nfs/dbraw/zinc/84/16/52/1101841652.db2.gz SWWIARTUFKDJIH-ZDUSSCGKSA-N 0 3 310.438 3.390 20 30 DGEDHN C=CCC[C@@H](C)N[C@@H](CNC(=O)CC)c1ccccc1OC ZINC001198444588 1101869523 /nfs/dbraw/zinc/86/95/23/1101869523.db2.gz SDDUWRFIFJEPHR-ZBFHGGJFSA-N 0 3 304.434 3.207 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)C=C(C)C)c1ccccc1OC ZINC001198508048 1101899371 /nfs/dbraw/zinc/89/93/71/1101899371.db2.gz MFTSHPREVZFDBO-QGZVFWFLSA-N 0 3 316.445 3.375 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)[C@@H](C)CC)c1ccccc1OC ZINC001198540773 1101913071 /nfs/dbraw/zinc/91/30/71/1101913071.db2.gz HSAFDVYAHSKDSO-DOTOQJQBSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@H](C)CCC)c1ccccc1OC ZINC001198615814 1101929155 /nfs/dbraw/zinc/92/91/55/1101929155.db2.gz BZXMFBZGZGMQLS-WBVHZDCISA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1OC ZINC001198667554 1101952241 /nfs/dbraw/zinc/95/22/41/1101952241.db2.gz IOXKZPLXPKPOJY-CVEARBPZSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCC1CC1)c1ccccc1OC ZINC001198751841 1101976426 /nfs/dbraw/zinc/97/64/26/1101976426.db2.gz JJQGEBDRFJWJOP-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)[C@@H](F)CC)c1ccccc1OC ZINC001198834839 1101990918 /nfs/dbraw/zinc/99/09/18/1101990918.db2.gz OUILQEMAYNDLFT-HOTGVXAUSA-N 0 3 322.424 3.156 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198856149 1102000699 /nfs/dbraw/zinc/00/06/99/1102000699.db2.gz FXIDEPOQRPAVNK-DOTOQJQBSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198856153 1102001072 /nfs/dbraw/zinc/00/10/72/1102001072.db2.gz FXIDEPOQRPAVNK-WBVHZDCISA-N 0 3 318.461 3.454 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198855607 1102001401 /nfs/dbraw/zinc/00/14/01/1102001401.db2.gz DKTQHRGTZHOLGQ-HOCLYGCPSA-N 0 3 304.434 3.064 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198856531 1102003528 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C=CCCN[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1OC ZINC001198908416 1102033450 /nfs/dbraw/zinc/03/34/50/1102033450.db2.gz FORQLQYKHSBBNP-OIISXLGYSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)C(C)(C)C)c1ccccc1OC ZINC001198969297 1102036535 /nfs/dbraw/zinc/03/65/35/1102036535.db2.gz UZSPSJJOWWJBRM-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001199245963 1102091612 /nfs/dbraw/zinc/09/16/12/1102091612.db2.gz QOJMWTZZILWOSP-LMMKCTJWSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCCC[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001199360877 1102121047 /nfs/dbraw/zinc/12/10/47/1102121047.db2.gz XUUWDDZZRMZSHY-UHFFFAOYSA-N 0 3 316.445 3.333 20 30 DGEDHN N#CC1(c2ccc(-c3cnccc3N3CCOCC3)cc2)CC1 ZINC001243423126 1102713661 /nfs/dbraw/zinc/71/36/61/1102713661.db2.gz NZMNIXNQRMFTBJ-UHFFFAOYSA-N 0 3 305.381 3.140 20 30 DGEDHN CCCCCCCN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001201776512 1102734212 /nfs/dbraw/zinc/73/42/12/1102734212.db2.gz DYGDRGQFHUWERW-UHFFFAOYSA-N 0 3 315.465 3.304 20 30 DGEDHN C#C[C@@H](NCc1cc2nc(Cl)ccc2s1)[C@@H]1CCCO1 ZINC001202074805 1102835226 /nfs/dbraw/zinc/83/52/26/1102835226.db2.gz VOLOZIOCSGFDRF-YPMHNXCESA-N 0 3 306.818 3.220 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202109552 1102859002 /nfs/dbraw/zinc/85/90/02/1102859002.db2.gz WOQXKMLTLJRXPO-AUWXEVLLSA-N 0 3 319.276 3.488 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc(F)cc3CC#N)c2)CC1 ZINC001243671459 1102907792 /nfs/dbraw/zinc/90/77/92/1102907792.db2.gz QBKFEUSBWHSORE-UHFFFAOYSA-N 0 3 309.388 3.311 20 30 DGEDHN CN1CCN(c2cccc(-c3ccc4c(C#N)c[nH]c4c3)c2)CC1 ZINC001243671655 1102908047 /nfs/dbraw/zinc/90/80/47/1102908047.db2.gz VKLJLVGYOOWFTE-UHFFFAOYSA-N 0 3 316.408 3.458 20 30 DGEDHN C=CCOC(=O)N1CCC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001202283265 1102925414 /nfs/dbraw/zinc/92/54/14/1102925414.db2.gz OWNJMNBUZFGLQU-AWEZNQCLSA-N 0 3 320.355 3.049 20 30 DGEDHN COc1ccc(-c2cc(OC3CCN(C)CC3)ccn2)c(C#N)c1 ZINC001243727007 1102943933 /nfs/dbraw/zinc/94/39/33/1102943933.db2.gz OGVDLIMRDFCOQJ-UHFFFAOYSA-N 0 3 323.396 3.102 20 30 DGEDHN C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC001325563193 1103067939 /nfs/dbraw/zinc/06/79/39/1103067939.db2.gz DIXPIYNAPJLSOK-KRXQYRFLSA-N 0 3 305.466 3.226 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001325703480 1103105688 /nfs/dbraw/zinc/10/56/88/1103105688.db2.gz YBNBTUUAHCZMJV-IEBWSBKVSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001488688966 1103108900 /nfs/dbraw/zinc/10/89/00/1103108900.db2.gz MTFFQCAVERPIIA-SFHVURJKSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001488740517 1103130967 /nfs/dbraw/zinc/13/09/67/1103130967.db2.gz MNSSKNRVPHRNGQ-TXEJJXNPSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001493205133 1103162278 /nfs/dbraw/zinc/16/22/78/1103162278.db2.gz CHHSGWNQTBHKKJ-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001325932069 1103166412 /nfs/dbraw/zinc/16/64/12/1103166412.db2.gz LVSIZGFGVJDVFP-DLBZAZTESA-N 0 3 318.486 3.446 20 30 DGEDHN COCCN(C)Cc1ccnc(-c2cccc(C3(C#N)CC3)c2)c1 ZINC001244073767 1103190094 /nfs/dbraw/zinc/19/00/94/1103190094.db2.gz DFXMSEBSQNJHRM-UHFFFAOYSA-N 0 3 321.424 3.382 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)O ZINC001111315848 1103206921 /nfs/dbraw/zinc/20/69/21/1103206921.db2.gz PSBQJQZGYCRMMI-TVFCKZIOSA-N 0 3 324.509 3.229 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001111315868 1103207285 /nfs/dbraw/zinc/20/72/85/1103207285.db2.gz QKWMVOIVAIYKPM-KURKYZTESA-N 0 3 324.509 3.231 20 30 DGEDHN N#Cc1cccc(NC(=O)CCNCc2ccc(Cl)s2)c1 ZINC001326148257 1103217452 /nfs/dbraw/zinc/21/74/52/1103217452.db2.gz XLNMGYIFWKIZCI-UHFFFAOYSA-N 0 3 319.817 3.392 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccoc1 ZINC001488988619 1103236054 /nfs/dbraw/zinc/23/60/54/1103236054.db2.gz RPVSSLLXJLHGJP-SWLSCSKDSA-N 0 3 310.825 3.253 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(CC)Cc2ccc(F)cc2)cc1 ZINC001493001514 1103260927 /nfs/dbraw/zinc/26/09/27/1103260927.db2.gz MXLCTZCPMZBWQE-UHFFFAOYSA-N 0 3 324.399 3.059 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)SC)cc1 ZINC001326467098 1103327541 /nfs/dbraw/zinc/32/75/41/1103327541.db2.gz FFVWALSHXMKBEN-CABCVRRESA-N 0 3 318.486 3.118 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001326482070 1103334290 /nfs/dbraw/zinc/33/42/90/1103334290.db2.gz UZFJOZSMMMWMNZ-MDASCCDHSA-N 0 3 310.441 3.023 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C/C=C\Cc2ccccc2)[C@H]1C ZINC001489269539 1103346125 /nfs/dbraw/zinc/34/61/25/1103346125.db2.gz MXGRPETXJLCWCX-UKPUQTQTSA-N 0 3 312.457 3.331 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 ZINC001489327939 1103361624 /nfs/dbraw/zinc/36/16/24/1103361624.db2.gz NKXRYCOAAFNFHR-HNNXBMFYSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CCC3CCC3)cccc2C1 ZINC001326670624 1103402324 /nfs/dbraw/zinc/40/23/24/1103402324.db2.gz OOMIRMNWPIXNQA-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114712553 1103405104 /nfs/dbraw/zinc/40/51/04/1103405104.db2.gz NENRFNPQHKPRJY-FCXMPTQSSA-N 0 3 324.468 3.349 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114728968 1103414030 /nfs/dbraw/zinc/41/40/30/1103414030.db2.gz LRRRKWDPTKOTEJ-KBEGMRNHSA-N 0 3 318.486 3.205 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1ncccc1C ZINC001326712827 1103414495 /nfs/dbraw/zinc/41/44/95/1103414495.db2.gz CDSSEVLEHDXUEB-QGZVFWFLSA-N 0 3 315.461 3.217 20 30 DGEDHN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC001326720329 1103418363 /nfs/dbraw/zinc/41/83/63/1103418363.db2.gz KPKQCAFUQOZWAT-UHFFFAOYSA-N 0 3 323.444 3.479 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccsc4)C[C@H]32)CCC1 ZINC001114782517 1103438269 /nfs/dbraw/zinc/43/82/69/1103438269.db2.gz BTVBUYUNZDVGCT-ZSHCYNCHSA-N 0 3 316.470 3.041 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1C(C)C)C2 ZINC001095897468 1103498452 /nfs/dbraw/zinc/49/84/52/1103498452.db2.gz OOAOOTIXLMGLMQ-KBMXLJTQSA-N 0 3 301.434 3.049 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC001278384018 1103505301 /nfs/dbraw/zinc/50/53/01/1103505301.db2.gz JYUGBIVBDGBSOR-HIFRSBDPSA-N 0 3 312.438 3.117 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001327148752 1103553580 /nfs/dbraw/zinc/55/35/80/1103553580.db2.gz VHPURAWMDWPZKU-LPHOPBHVSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC001327154949 1103558561 /nfs/dbraw/zinc/55/85/61/1103558561.db2.gz BKNHNPMPHYTKGU-ZWKOTPCHSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001327514185 1103669420 /nfs/dbraw/zinc/66/94/20/1103669420.db2.gz SQVPCTGMSYGMRF-GOSISDBHSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C2CC3(CCC3)C2)CC1 ZINC001490620642 1103683586 /nfs/dbraw/zinc/68/35/86/1103683586.db2.gz YAWWHAAYMALUJC-UHFFFAOYSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001490669617 1103690899 /nfs/dbraw/zinc/69/08/99/1103690899.db2.gz XNNNWCYAYNSXKP-QGZVFWFLSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]ccc3c1)C2 ZINC001095944770 1103706287 /nfs/dbraw/zinc/70/62/87/1103706287.db2.gz VXYCMYHMXCYNLH-NJAFHUGGSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)ccc(C)c1F)C2 ZINC001095966157 1103715905 /nfs/dbraw/zinc/71/59/05/1103715905.db2.gz JYAAEBXFWVOTPO-SNPRPXQTSA-N 0 3 320.383 3.184 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001096046891 1103735769 /nfs/dbraw/zinc/73/57/69/1103735769.db2.gz NEADWAVNBNPIHY-PVAVHDDUSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)COC(C)(C)C ZINC001490790428 1103745422 /nfs/dbraw/zinc/74/54/22/1103745422.db2.gz ZBNMVXFCNTYTSQ-CALCHBBNSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001490793018 1103746419 /nfs/dbraw/zinc/74/64/19/1103746419.db2.gz AOAFMBIFNLYBFQ-KBXIAJHMSA-N 0 3 312.404 3.062 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(CC)cc1)C2 ZINC001096080288 1103752897 /nfs/dbraw/zinc/75/28/97/1103752897.db2.gz BRDQTOSEUAYMPH-QYZOEREBSA-N 0 3 312.457 3.089 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCC1)C2 ZINC001110723561 1103810940 /nfs/dbraw/zinc/81/09/40/1103810940.db2.gz NKFCZBAXEMHIMU-UPJWGTAASA-N 0 3 316.367 3.017 20 30 DGEDHN N#Cc1cccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1F ZINC001245069976 1103839114 /nfs/dbraw/zinc/83/91/14/1103839114.db2.gz ZEOMDIYBATUAHV-SFHVURJKSA-N 0 3 321.355 3.278 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C)s1)C2 ZINC001096504070 1103852817 /nfs/dbraw/zinc/85/28/17/1103852817.db2.gz WXJGWKRDQWBEBI-ILXRZTDVSA-N 0 3 304.459 3.276 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1C ZINC001490798657 1103886309 /nfs/dbraw/zinc/88/63/09/1103886309.db2.gz CUFVRPHJUVRXBF-CALCHBBNSA-N 0 3 316.420 3.389 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccc(C)cc13)C2 ZINC001096625196 1103888158 /nfs/dbraw/zinc/88/81/58/1103888158.db2.gz UUVOXKWXKWQKNX-CCKFTAQKSA-N 0 3 323.440 3.388 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001328267139 1103896117 /nfs/dbraw/zinc/89/61/17/1103896117.db2.gz NWXIOWVICVPJQB-NVXWUHKLSA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001490802362 1103898774 /nfs/dbraw/zinc/89/87/74/1103898774.db2.gz XWIYWQPWJBUVPP-ZACQAIPSSA-N 0 3 302.462 3.373 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1ccccc1)C2 ZINC001111435352 1103902567 /nfs/dbraw/zinc/90/25/67/1103902567.db2.gz JUGRILKKWABCSL-AITUJVMLSA-N 0 3 312.457 3.163 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C[C@@H]1C ZINC001328294739 1103906920 /nfs/dbraw/zinc/90/69/20/1103906920.db2.gz LUQORYKXOJAQFD-DDUKWOAZSA-N 0 3 310.441 3.001 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)s1)C2 ZINC001096743167 1103925437 /nfs/dbraw/zinc/92/54/37/1103925437.db2.gz XHZBYMSSACCOKQ-KFWWJZLASA-N 0 3 304.459 3.358 20 30 DGEDHN CCCCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001328702271 1104025539 /nfs/dbraw/zinc/02/55/39/1104025539.db2.gz GXOMDWQRJXVOKM-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nc2ccccc2cc1C ZINC001328750403 1104052767 /nfs/dbraw/zinc/05/27/67/1104052767.db2.gz SEBBMLXCDAZFPN-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C(\C)C2CC2)C12CCC2 ZINC001202574526 1104062392 /nfs/dbraw/zinc/06/23/92/1104062392.db2.gz QIQRIRJUROMBCZ-UHUXCJHTSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001328869252 1104091723 /nfs/dbraw/zinc/09/17/23/1104091723.db2.gz MPTNKSFSVGKMMF-UHFFFAOYSA-N 0 3 322.836 3.009 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(Cl)cc2)C1 ZINC001328942595 1104104577 /nfs/dbraw/zinc/10/45/77/1104104577.db2.gz YBQRMOXVWKEKCG-UHFFFAOYSA-N 0 3 313.228 3.191 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3ccccc3o2)C1 ZINC001328950497 1104105492 /nfs/dbraw/zinc/10/54/92/1104105492.db2.gz SYBGUOMDEBNYFW-UHFFFAOYSA-N 0 3 318.804 3.283 20 30 DGEDHN C=CCOC(=O)N1CCCC2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC001204008213 1104123537 /nfs/dbraw/zinc/12/35/37/1104123537.db2.gz UTNOHBLORILMCR-UHFFFAOYSA-N 0 3 317.433 3.015 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001329131270 1104165324 /nfs/dbraw/zinc/16/53/24/1104165324.db2.gz JIFSYQDFLYXRSM-QWHCGFSZSA-N 0 3 319.474 3.205 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCC(NCc2ocnc2C)CC1 ZINC001329244109 1104199761 /nfs/dbraw/zinc/19/97/61/1104199761.db2.gz RYCQWVXSOIVNHM-UHFFFAOYSA-N 0 3 319.449 3.054 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1ccsc1 ZINC001329265345 1104204893 /nfs/dbraw/zinc/20/48/93/1104204893.db2.gz DRESVOFPVJKKBG-UHFFFAOYSA-N 0 3 314.882 3.117 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CCOC(C)C)cc2C1 ZINC001274021228 1104223497 /nfs/dbraw/zinc/22/34/97/1104223497.db2.gz QLTPTUMGJQQTMC-UHFFFAOYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccccc2SC)C1=O ZINC001274198240 1104283389 /nfs/dbraw/zinc/28/33/89/1104283389.db2.gz RWXBDXCXEJCHRZ-SFHVURJKSA-N 0 3 316.470 3.161 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3c(C)cccc3CC)CC2)C1=O ZINC001274224186 1104291343 /nfs/dbraw/zinc/29/13/43/1104291343.db2.gz RWORGQVXWZTAQU-UHFFFAOYSA-N 0 3 324.468 3.005 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2cscc2s1 ZINC001154368669 1104317011 /nfs/dbraw/zinc/31/70/11/1104317011.db2.gz ZUPLZQRNAZNXOR-GFCCVEGCSA-N 0 3 320.483 3.426 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cscc2s1 ZINC001154368317 1104317038 /nfs/dbraw/zinc/31/70/38/1104317038.db2.gz SXJFHDAMPLKPPY-LLVKDONJSA-N 0 3 306.456 3.036 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC3(CC3)C1)C2 ZINC001095410914 1104323004 /nfs/dbraw/zinc/32/30/04/1104323004.db2.gz ZVPBQDSZFLQTEX-YVSFHVDLSA-N 0 3 302.462 3.254 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cccc(C)c1)C2 ZINC001110870769 1104329630 /nfs/dbraw/zinc/32/96/30/1104329630.db2.gz CHKGSQKGUNEAAD-QRVBRYPASA-N 0 3 312.457 3.225 20 30 DGEDHN CCC(CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001329590737 1104334199 /nfs/dbraw/zinc/33/41/99/1104334199.db2.gz XIHBMZXVJGVWHA-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N1CCN(C(C)(C)C)CC1 ZINC001329667160 1104361887 /nfs/dbraw/zinc/36/18/87/1104361887.db2.gz UHYPQDGTZOBKEQ-UHFFFAOYSA-N 0 3 308.429 3.335 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccccc2C)C(C)(C)C1 ZINC001274454396 1104391297 /nfs/dbraw/zinc/39/12/97/1104391297.db2.gz OCJXJMSHEDTIIJ-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCCC(F)(F)F ZINC001329935497 1104428133 /nfs/dbraw/zinc/42/81/33/1104428133.db2.gz CZUXHNZDJYJMCN-CQSZACIVSA-N 0 3 318.383 3.103 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001329937798 1104430872 /nfs/dbraw/zinc/43/08/72/1104430872.db2.gz OIYJZSHSSTVBHS-DLBZAZTESA-N 0 3 304.409 3.244 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001329974110 1104442591 /nfs/dbraw/zinc/44/25/91/1104442591.db2.gz YVCNHDXOHWRCRF-CYBMUJFWSA-N 0 3 306.475 3.268 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001274671067 1104447168 /nfs/dbraw/zinc/44/71/68/1104447168.db2.gz MCFJXTNSTTUCNI-OAHLLOKOSA-N 0 3 320.864 3.222 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CCCC2CCCCC2)C1 ZINC001330074662 1104472317 /nfs/dbraw/zinc/47/23/17/1104472317.db2.gz PEDAOZJSHNMALS-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](F)CC2CCCCC2)C(C)(C)C1 ZINC001330244876 1104518151 /nfs/dbraw/zinc/51/81/51/1104518151.db2.gz ONFHAXCNAHJXFI-IAGOWNOFSA-N 0 3 322.468 3.145 20 30 DGEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001274867785 1104529459 /nfs/dbraw/zinc/52/94/59/1104529459.db2.gz OQJZOBTTZRSPKH-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001279172499 1104550890 /nfs/dbraw/zinc/55/08/90/1104550890.db2.gz LPLQWQZDXWKWOF-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CCCF)CC1 ZINC001274954909 1104558850 /nfs/dbraw/zinc/55/88/50/1104558850.db2.gz CDPFLLJAEGYHGK-UHFFFAOYSA-N 0 3 304.837 3.049 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C=CCC=C1C ZINC001274959015 1104560732 /nfs/dbraw/zinc/56/07/32/1104560732.db2.gz OYQWKRHIYUWGNP-KSZLIROESA-N 0 3 300.446 3.150 20 30 DGEDHN CCCCCCCCCN1CC2(C1)CN(C(=O)NC(C)C)C2 ZINC001275132454 1104642602 /nfs/dbraw/zinc/64/26/02/1104642602.db2.gz SWZFREGFVGUBFI-UHFFFAOYSA-N 0 3 309.498 3.473 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1Cl ZINC001275135673 1104643999 /nfs/dbraw/zinc/64/39/99/1104643999.db2.gz MUGMENPPTXNBCK-HNNXBMFYSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001275175407 1104667465 /nfs/dbraw/zinc/66/74/65/1104667465.db2.gz IMLFZBHZMCHLAQ-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCNCc1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC001247013697 1104778001 /nfs/dbraw/zinc/77/80/01/1104778001.db2.gz AMKQBINXCGURIT-UHFFFAOYSA-N 0 3 305.687 3.391 20 30 DGEDHN Cc1cccc(C(=O)N[C@H](C)CN(C)Cc2cccc(C#N)c2)c1 ZINC001275496096 1104779376 /nfs/dbraw/zinc/77/93/76/1104779376.db2.gz GMJXYJAGTOKLNP-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC001275520826 1104790019 /nfs/dbraw/zinc/79/00/19/1104790019.db2.gz JMDXPWGRKLJTGR-HNNXBMFYSA-N 0 3 300.446 3.467 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001275551856 1104805027 /nfs/dbraw/zinc/80/50/27/1104805027.db2.gz LVOFZGZISWHLPX-OAHLLOKOSA-N 0 3 312.413 3.029 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ccccn2)CCCC1 ZINC001275580286 1104818849 /nfs/dbraw/zinc/81/88/49/1104818849.db2.gz LKIYGXTUWVLSOR-HZPDHXFCSA-N 0 3 315.461 3.201 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001275614093 1104832815 /nfs/dbraw/zinc/83/28/15/1104832815.db2.gz IULXEZQUUQWZJZ-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC001275706397 1104873008 /nfs/dbraw/zinc/87/30/08/1104873008.db2.gz GLVRALKTFARKAY-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN CN(C)CCc1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001247445733 1104905078 /nfs/dbraw/zinc/90/50/78/1104905078.db2.gz HDFISHYCHQFRBC-UHFFFAOYSA-N 0 3 318.380 3.379 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001275818061 1104920611 /nfs/dbraw/zinc/92/06/11/1104920611.db2.gz GPDZQRPVAJYIJR-ZIAGYGMSSA-N 0 3 322.399 3.266 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001275837070 1104927607 /nfs/dbraw/zinc/92/76/07/1104927607.db2.gz ZYJPLKXDVDGTHD-HNNXBMFYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCNC(=S)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001247628132 1104942228 /nfs/dbraw/zinc/94/22/28/1104942228.db2.gz PWQADQGYSFVVIG-QGZVFWFLSA-N 0 3 317.502 3.033 20 30 DGEDHN C=CCCCNC(=S)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001247776070 1104979538 /nfs/dbraw/zinc/97/95/38/1104979538.db2.gz OYZHEMDEXOPOCT-QGZVFWFLSA-N 0 3 317.502 3.081 20 30 DGEDHN C=CCCCCCCN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001276040948 1105003046 /nfs/dbraw/zinc/00/30/46/1105003046.db2.gz DDPXJLLLIKVCEV-KDURUIRLSA-N 0 3 306.494 3.451 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1CC)C2 ZINC001095607092 1105088306 /nfs/dbraw/zinc/08/83/06/1105088306.db2.gz PNLKCKBEKDZMNG-QYZOEREBSA-N 0 3 312.457 3.089 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110925170 1105121356 /nfs/dbraw/zinc/12/13/56/1105121356.db2.gz MRTKOKRVTGDKBG-QRVBRYPASA-N 0 3 310.441 3.102 20 30 DGEDHN CCOC(=O)C[C@H]1CCCN(Cc2ccc(C#N)cc2CC)C1 ZINC001248748371 1105154396 /nfs/dbraw/zinc/15/43/96/1105154396.db2.gz HKKHVRLTIXTXGK-MRXNPFEDSA-N 0 3 314.429 3.286 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001248752353 1105155301 /nfs/dbraw/zinc/15/53/01/1105155301.db2.gz IVTRJKOLNJDQAO-MRXNPFEDSA-N 0 3 306.356 3.121 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1csc(C)c1)C2 ZINC001248803098 1105164885 /nfs/dbraw/zinc/16/48/85/1105164885.db2.gz GCSPVSOUEZITIA-IAGOWNOFSA-N 0 3 307.459 3.383 20 30 DGEDHN Cc1cc(-c2noc([C@@H]3CCCN3CC3CC3)n2)ccc1C#N ZINC001249073039 1105220533 /nfs/dbraw/zinc/22/05/33/1105220533.db2.gz HJXYACTVVDARRA-INIZCTEOSA-N 0 3 308.385 3.464 20 30 DGEDHN C=CCOc1ccc(-c2noc([C@H]3N[C@@H]4CC[C@H]3C4)n2)c(F)c1 ZINC001249212901 1105247297 /nfs/dbraw/zinc/24/72/97/1105247297.db2.gz QAXMLRZPTRMPMX-RWSFTLGLSA-N 0 3 315.348 3.254 20 30 DGEDHN N#Cc1ccc2cc(CN3CC[C@H](c4ccccn4)C3)[nH]c2c1 ZINC001249428938 1105285661 /nfs/dbraw/zinc/28/56/61/1105285661.db2.gz HNSSYACTBKSVDV-INIZCTEOSA-N 0 3 302.381 3.424 20 30 DGEDHN N#Cc1ccc(NC2=CC[C@H](N3CCOCC3)CC2)c(F)c1F ZINC001249558774 1105314580 /nfs/dbraw/zinc/31/45/80/1105314580.db2.gz BCOSKKWDIMANSQ-AWEZNQCLSA-N 0 3 319.355 3.017 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)N[C@H](C)c1ccc(F)cc1 ZINC001249622873 1105334616 /nfs/dbraw/zinc/33/46/16/1105334616.db2.gz POWMQCMFKOWEQT-CJNGLKHVSA-N 0 3 321.465 3.001 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(CCOC)CCCC2)[C@@H]1C ZINC001278533765 1105374852 /nfs/dbraw/zinc/37/48/52/1105374852.db2.gz ZUAVFYFKWHPWGB-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(CCOC)CCCC2)[C@H]1C ZINC001278533768 1105375205 /nfs/dbraw/zinc/37/52/05/1105375205.db2.gz ZUAVFYFKWHPWGB-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001097571980 1105408341 /nfs/dbraw/zinc/40/83/41/1105408341.db2.gz YWHPFHLDHYKRLK-ZKZVPCBQSA-N 0 3 302.462 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(F)cc1C)C2 ZINC001097631419 1105416871 /nfs/dbraw/zinc/41/68/71/1105416871.db2.gz ZAVSMBFRENFCGO-ZACQAIPSSA-N 0 3 316.420 3.354 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cc1C)C2 ZINC001097774313 1105441415 /nfs/dbraw/zinc/44/14/15/1105441415.db2.gz PLSVDQARPNKRMK-OIISXLGYSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1Cl)C2 ZINC001097792479 1105445141 /nfs/dbraw/zinc/44/51/41/1105445141.db2.gz GSWSYRXLRWCIBI-BNOWGMLFSA-N 0 3 308.809 3.234 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097808355 1105449053 /nfs/dbraw/zinc/44/90/53/1105449053.db2.gz ARRXDCCWZOWIFU-KFWWJZLASA-N 0 3 324.415 3.110 20 30 DGEDHN C=CCN1C(=O)CCC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC001137315723 1105481753 /nfs/dbraw/zinc/48/17/53/1105481753.db2.gz KKAHDSOGCQHSJH-UHFFFAOYSA-N 0 3 323.440 3.311 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C(C)C)nc1C)C2 ZINC001098002855 1105497693 /nfs/dbraw/zinc/49/76/93/1105497693.db2.gz ZZSKMRLMMVPRGK-KFWWJZLASA-N 0 3 317.433 3.018 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C2 ZINC001098046075 1105536346 /nfs/dbraw/zinc/53/63/46/1105536346.db2.gz GPJNOMHVGHQAFJ-OBZTUIKSSA-N 0 3 324.468 3.097 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ccncc31)C2 ZINC001098135642 1105554037 /nfs/dbraw/zinc/55/40/37/1105554037.db2.gz CXCCDQUPINMSLO-LZQZEXGQSA-N 0 3 321.424 3.146 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C3CCC3)c1)C2 ZINC001098221937 1105561446 /nfs/dbraw/zinc/56/14/46/1105561446.db2.gz RKLGVDUKOGVWQR-AQNXPRMDSA-N 0 3 322.452 3.313 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)C)cc1)C2 ZINC001098270790 1105565956 /nfs/dbraw/zinc/56/59/56/1105565956.db2.gz JPNBOJIIFWYARC-QRVBRYPASA-N 0 3 310.441 3.168 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3o1)C2 ZINC001098328889 1105569343 /nfs/dbraw/zinc/56/93/43/1105569343.db2.gz IUDYXDUCGAXZGK-OAGGEKHMSA-N 0 3 310.397 3.344 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001098513547 1105581269 /nfs/dbraw/zinc/58/12/69/1105581269.db2.gz ZEIZSMVZQRUISH-KFWWJZLASA-N 0 3 304.478 3.356 20 30 DGEDHN CC(C)c1ccc(OC[C@H](O)CNCC#CC(C)(C)C)cc1 ZINC001250784142 1105582351 /nfs/dbraw/zinc/58/23/51/1105582351.db2.gz XSFUDODCEKXYEV-QGZVFWFLSA-N 0 3 303.446 3.189 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(Cl)c2C)C1 ZINC001098850198 1105608704 /nfs/dbraw/zinc/60/87/04/1105608704.db2.gz VTYZYJMSHMACFQ-KSSFIOAISA-N 0 3 318.848 3.419 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)ccc2F)C1 ZINC001098930718 1105614553 /nfs/dbraw/zinc/61/45/53/1105614553.db2.gz HTUAVZOOKXLLOA-SJCJKPOMSA-N 0 3 322.811 3.249 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001099003310 1105624738 /nfs/dbraw/zinc/62/47/38/1105624738.db2.gz ILORTFRREDOOIA-GUYCJALGSA-N 0 3 322.811 3.249 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001099084308 1105640270 /nfs/dbraw/zinc/64/02/70/1105640270.db2.gz PAQFYENDZCBTNM-KSSFIOAISA-N 0 3 318.848 3.419 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001099084257 1105640448 /nfs/dbraw/zinc/64/04/48/1105640448.db2.gz NCTDSPQPHSMLQX-VCBZYWHSSA-N 0 3 316.420 3.086 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001099131314 1105646760 /nfs/dbraw/zinc/64/67/60/1105646760.db2.gz RPINJNWSPSAVGN-JPLJXNOCSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)s2)C1 ZINC001099147696 1105649547 /nfs/dbraw/zinc/64/95/47/1105649547.db2.gz OUZZOKOPPLJTFL-LRDDRELGSA-N 0 3 322.861 3.009 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001099158506 1105651500 /nfs/dbraw/zinc/65/15/00/1105651500.db2.gz HSDMMHQOQXGQQQ-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001099177043 1105653998 /nfs/dbraw/zinc/65/39/98/1105653998.db2.gz DISXKNKVEHFENH-ZWOKBUDYSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@@H]21 ZINC001490981378 1105730415 /nfs/dbraw/zinc/73/04/15/1105730415.db2.gz IJLOBJXXCALCED-YZBXERDGSA-N 0 3 322.880 3.245 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001491119400 1105758054 /nfs/dbraw/zinc/75/80/54/1105758054.db2.gz DUFVVWKCAVBGAK-UKRRQHHQSA-N 0 3 320.399 3.369 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001491210961 1105776812 /nfs/dbraw/zinc/77/68/12/1105776812.db2.gz WYIUHPKSQDYCLH-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001491231080 1105784910 /nfs/dbraw/zinc/78/49/10/1105784910.db2.gz RAVSRIXXIOPCTK-QZTJIDSGSA-N 0 3 322.468 3.289 20 30 DGEDHN CC(C)CC(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001491239557 1105787057 /nfs/dbraw/zinc/78/70/57/1105787057.db2.gz KSKDVWVBWDHADZ-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN C=C[C@@](C)(O)CNC1(c2ccccc2Br)CCC1 ZINC001252578527 1105797418 /nfs/dbraw/zinc/79/74/18/1105797418.db2.gz DWHPOJMHCUEWMB-CQSZACIVSA-N 0 3 310.235 3.355 20 30 DGEDHN C=C[C@](C)(O)CN[C@@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252583192 1105797933 /nfs/dbraw/zinc/79/79/33/1105797933.db2.gz FTBJQJNHIUTLEQ-OCCSQVGLSA-N 0 3 300.324 3.078 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001278674131 1105801864 /nfs/dbraw/zinc/80/18/64/1105801864.db2.gz YWFUSHIVNYFYMF-ZBFHGGJFSA-N 0 3 314.420 3.216 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H]2CCCN(C/C=C\Cl)C2)C1 ZINC001491301519 1105803451 /nfs/dbraw/zinc/80/34/51/1105803451.db2.gz XWYJXZFMJYJKJK-IORUMNFESA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cc(-c2cccc(Cl)c2)no1 ZINC001252620593 1105805194 /nfs/dbraw/zinc/80/51/94/1105805194.db2.gz MMEUGQYAELVHHT-CQSZACIVSA-N 0 3 306.793 3.412 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(Cl)cc(OC)c1OC ZINC001252620295 1105805875 /nfs/dbraw/zinc/80/58/75/1105805875.db2.gz TULUCDDNJYYKQY-WCQYABFASA-N 0 3 313.825 3.335 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001491452966 1105828293 /nfs/dbraw/zinc/82/82/93/1105828293.db2.gz SYWKKNNJDBJFEJ-STQMWFEESA-N 0 3 322.399 3.170 20 30 DGEDHN CCCCCCCCCC[C@@H](O)CN(C)CC(OC)OC ZINC001252984380 1105865042 /nfs/dbraw/zinc/86/50/42/1105865042.db2.gz HLEMPDHXVXUPCV-MRXNPFEDSA-N 0 3 303.487 3.429 20 30 DGEDHN CCCCCCCCCC[C@@H](O)CNCC(=O)NCC(C)C ZINC001252985699 1105865484 /nfs/dbraw/zinc/86/54/84/1105865484.db2.gz FWINONNQLNZSHM-QGZVFWFLSA-N 0 3 314.514 3.240 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001100915697 1105866137 /nfs/dbraw/zinc/86/61/37/1105866137.db2.gz CJCQGHVAZIRXPE-XGNXJENSSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCC(=O)Nc1ccccc1 ZINC001253251474 1105911870 /nfs/dbraw/zinc/91/18/70/1105911870.db2.gz LGZLORUUMJEOIW-QGZVFWFLSA-N 0 3 304.434 3.102 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H](N2CCC[C@@H](CC#N)C2)C1 ZINC001254202296 1106034421 /nfs/dbraw/zinc/03/44/21/1106034421.db2.gz KYLUTYUEULYOIP-HOTGVXAUSA-N 0 3 321.465 3.402 20 30 DGEDHN N#Cc1coc(CN[C@H]2Cc3ccc(Br)cc3C2)c1 ZINC001254277377 1106049155 /nfs/dbraw/zinc/04/91/55/1106049155.db2.gz WQGGPSQKQQCTMD-AWEZNQCLSA-N 0 3 317.186 3.171 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC2CCCC2)C1 ZINC001102644744 1106086438 /nfs/dbraw/zinc/08/64/38/1106086438.db2.gz GYPMSKHUCNAQGI-CZUORRHYSA-N 0 3 312.885 3.393 20 30 DGEDHN N#Cc1ccccc1CNC1CCN(c2ccc(F)cc2)CC1 ZINC001254612767 1106113404 /nfs/dbraw/zinc/11/34/04/1106113404.db2.gz LABZLBCNHMBQIC-UHFFFAOYSA-N 0 3 309.388 3.456 20 30 DGEDHN CC(C)(C)OC(=O)Nc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccn1 ZINC001254638874 1106119034 /nfs/dbraw/zinc/11/90/34/1106119034.db2.gz QZFUXGIBEDMTCD-TZMCWYRMSA-N 0 3 316.405 3.210 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001102913604 1106119223 /nfs/dbraw/zinc/11/92/23/1106119223.db2.gz RDNGRQBPCCJHQY-GZBFAFLISA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001254645004 1106120785 /nfs/dbraw/zinc/12/07/85/1106120785.db2.gz COVASNNEQLGTGI-OAHLLOKOSA-N 0 3 315.335 3.405 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cncn2Cc2ccccc2Cl)C1 ZINC001254657300 1106124595 /nfs/dbraw/zinc/12/45/95/1106124595.db2.gz OKSDEJAGNVZVOK-ZFWWWQNUSA-N 0 3 314.820 3.367 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254676731 1106132003 /nfs/dbraw/zinc/13/20/03/1106132003.db2.gz NNKIKWOOSBTWIR-LXTVHRRPSA-N 0 3 307.438 3.056 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(F)CCCC2)C1 ZINC001103168529 1106169799 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C=CCN1CCC[C@@H](N[C@@H](C)CSc2ccc(F)cc2)C1=O ZINC001255736120 1106304280 /nfs/dbraw/zinc/30/42/80/1106304280.db2.gz SLKJQANSDFYNGT-XJKSGUPXSA-N 0 3 322.449 3.073 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](N2CCC[C@@H](C#N)CC2)C1 ZINC001255915299 1106343917 /nfs/dbraw/zinc/34/39/17/1106343917.db2.gz MJQIZTGUCJLVCD-HUUCEWRRSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(F)ccc1Cl)C(C)C ZINC001278922460 1106396593 /nfs/dbraw/zinc/39/65/93/1106396593.db2.gz QMYQOTZNLMJRNJ-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C[C@H]1C[C@@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001256449237 1106425295 /nfs/dbraw/zinc/42/52/95/1106425295.db2.gz FZEZXONZTAHNEC-KBPBESRZSA-N 0 3 307.438 3.058 20 30 DGEDHN COc1cccc2c1CC[C@@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001256637715 1106459234 /nfs/dbraw/zinc/45/92/34/1106459234.db2.gz ZBTIGYLABXJVPX-CYBMUJFWSA-N 0 3 315.804 3.006 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCC(NCC2(C#N)CCC2)CC1 ZINC001256660055 1106464710 /nfs/dbraw/zinc/46/47/10/1106464710.db2.gz QGQUCLHFUHCXEH-UHFFFAOYSA-N 0 3 321.465 3.448 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001278968232 1106495718 /nfs/dbraw/zinc/49/57/18/1106495718.db2.gz SUYZRDPKEKLXAH-INIZCTEOSA-N 0 3 317.477 3.304 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1CC1(F)F)c1ccccc1CC ZINC001278970170 1106499343 /nfs/dbraw/zinc/49/93/43/1106499343.db2.gz XPZFEQRIZKVUPH-JKSUJKDBSA-N 0 3 322.399 3.227 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1CC1(F)F)c1ccccc1CC ZINC001278970167 1106499997 /nfs/dbraw/zinc/49/99/97/1106499997.db2.gz XPZFEQRIZKVUPH-HOTGVXAUSA-N 0 3 322.399 3.227 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCC(CC)CC1 ZINC001256873279 1106501549 /nfs/dbraw/zinc/50/15/49/1106501549.db2.gz KZQUYOXMOHPZHZ-HTWSVDAQSA-N 0 3 317.477 3.491 20 30 DGEDHN N#CC1CCC(NCC(=O)c2cccc(Br)c2)CC1 ZINC001256954322 1106514525 /nfs/dbraw/zinc/51/45/25/1106514525.db2.gz FYIHWSJJLWLVPT-UHFFFAOYSA-N 0 3 321.218 3.304 20 30 DGEDHN COc1cc2c(cc1OC)CN(C1CCC(C#N)CC1)CC2 ZINC001256968645 1106517343 /nfs/dbraw/zinc/51/73/43/1106517343.db2.gz JMQXQQHHGVZBNX-UHFFFAOYSA-N 0 3 300.402 3.144 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CNCc1cc(C)ns1)C(C)(C)C ZINC001278995941 1106545277 /nfs/dbraw/zinc/54/52/77/1106545277.db2.gz PJIQPBNNAZRIJA-HNNXBMFYSA-N 0 3 323.506 3.428 20 30 DGEDHN CCOC(=O)c1ccc(C[C@H](C)N2CCC(C#N)CC2)cc1 ZINC001257157350 1106546011 /nfs/dbraw/zinc/54/60/11/1106546011.db2.gz GSOFFISENMZIBB-AWEZNQCLSA-N 0 3 300.402 3.030 20 30 DGEDHN N#CCOc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC001257158516 1106546691 /nfs/dbraw/zinc/54/66/91/1106546691.db2.gz HQEUMPSZUSBZHC-LJQANCHMSA-N 0 3 308.381 3.462 20 30 DGEDHN C[C@@H](CC#N)NC1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257493064 1106597903 /nfs/dbraw/zinc/59/79/03/1106597903.db2.gz ZYMCHDMGJJANCY-UQPPLGOBSA-N 0 3 306.450 3.370 20 30 DGEDHN CCCC(=O)N[C@H](C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001279056027 1106641018 /nfs/dbraw/zinc/64/10/18/1106641018.db2.gz LIYFCUJZHVFPBL-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C1C[C@@H]2CC(N3CCN(C(=O)C(C)(C)C)CC3)C[C@H](C1)C2 ZINC001257895645 1106642908 /nfs/dbraw/zinc/64/29/08/1106642908.db2.gz WJYMLTMJHKQZLD-SJPCQFCGSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C12CCC(CC1)CC2)C(C)C ZINC001319969135 1106744244 /nfs/dbraw/zinc/74/42/44/1106744244.db2.gz WJKKLWIIZXRCKS-CKDBGZEDSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001258462744 1106757621 /nfs/dbraw/zinc/75/76/21/1106757621.db2.gz NHJHWAGMAUWMAA-UHFFFAOYSA-N 0 3 318.383 3.075 20 30 DGEDHN CC[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C#CC(C)C ZINC001319994785 1106771157 /nfs/dbraw/zinc/77/11/57/1106771157.db2.gz LUAGKDGNXUFSCI-GOSISDBHSA-N 0 3 318.436 3.326 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001316947828 1106804726 /nfs/dbraw/zinc/80/47/26/1106804726.db2.gz ODVIIYCEMBFMSB-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2cccc(OC)c2o1 ZINC001320049263 1106821139 /nfs/dbraw/zinc/82/11/39/1106821139.db2.gz ZYJJQCFCMSDXAB-UHFFFAOYSA-N 0 3 316.401 3.021 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001320058875 1106830089 /nfs/dbraw/zinc/83/00/89/1106830089.db2.gz MWXWNKSHDUHQKA-RBUKOAKNSA-N 0 3 314.473 3.373 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001316979559 1106839539 /nfs/dbraw/zinc/83/95/39/1106839539.db2.gz DBUKDEZHPVURHY-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001316978063 1106840289 /nfs/dbraw/zinc/84/02/89/1106840289.db2.gz OIVZWJKLCSUHOQ-SFHVURJKSA-N 0 3 324.468 3.304 20 30 DGEDHN CC1(C)CC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001258606763 1106846000 /nfs/dbraw/zinc/84/60/00/1106846000.db2.gz BTBKWLLDDOEPBT-HNNXBMFYSA-N 0 3 301.409 3.398 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001316984723 1106849180 /nfs/dbraw/zinc/84/91/80/1106849180.db2.gz FBPKOYXRYVUXJA-LJQANCHMSA-N 0 3 312.457 3.222 20 30 DGEDHN N#CCOc1cccc(CNCc2ccnc3ccccc23)c1 ZINC001320082065 1106851707 /nfs/dbraw/zinc/85/17/07/1106851707.db2.gz RLZBBPWXUZJVCP-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001320085037 1106853540 /nfs/dbraw/zinc/85/35/40/1106853540.db2.gz MZWCVIRSVOZFFD-OAHLLOKOSA-N 0 3 306.425 3.286 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC[C@H]1CCc2ccccc21 ZINC001320084175 1106853607 /nfs/dbraw/zinc/85/36/07/1106853607.db2.gz FHXVIWZFIVADHA-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC001320087162 1106856579 /nfs/dbraw/zinc/85/65/79/1106856579.db2.gz VJGOPJFSFSAZEA-MRXNPFEDSA-N 0 3 305.418 3.259 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC001320091179 1106860205 /nfs/dbraw/zinc/86/02/05/1106860205.db2.gz HHRVDOGPDQMPCB-GOSISDBHSA-N 0 3 311.429 3.266 20 30 DGEDHN C=CCC[NH+]1CCC(N(CCC)C(=O)c2ccccc2[O-])CC1 ZINC001317008059 1106892365 /nfs/dbraw/zinc/89/23/65/1106892365.db2.gz NNESTWSVPRPCEI-UHFFFAOYSA-N 0 3 316.445 3.285 20 30 DGEDHN C=C(C)C[NH+]1CCC(N(CCC)C(=O)c2ccccc2[O-])CC1 ZINC001317008571 1106894580 /nfs/dbraw/zinc/89/45/80/1106894580.db2.gz ZXVWLSFMSSJJHB-UHFFFAOYSA-N 0 3 316.445 3.285 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](NCc1sccc1Cl)C1CC1 ZINC001317014817 1106902263 /nfs/dbraw/zinc/90/22/63/1106902263.db2.gz RZBHJLZNVODGKO-CQSZACIVSA-N 0 3 324.877 3.189 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001317039267 1106935613 /nfs/dbraw/zinc/93/56/13/1106935613.db2.gz PLNCNSQYNXXJAB-ZDUSSCGKSA-N 0 3 320.399 3.321 20 30 DGEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC2(C#N)CCOCC2)cc1 ZINC001474748924 1107000260 /nfs/dbraw/zinc/00/02/60/1107000260.db2.gz YEXOYBGKZXACMC-ZTFGCOKTSA-N 0 3 314.429 3.097 20 30 DGEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC2(C#N)CCOCC2)cc1 ZINC001474748923 1107000416 /nfs/dbraw/zinc/00/04/16/1107000416.db2.gz YEXOYBGKZXACMC-BMGDILEWSA-N 0 3 314.429 3.097 20 30 DGEDHN CCC(=CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)CC ZINC001317106757 1107003441 /nfs/dbraw/zinc/00/34/41/1107003441.db2.gz ARUQIGUMNRMBCO-KDURUIRLSA-N 0 3 310.441 3.021 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCNCc1cccc(F)c1F ZINC001320436956 1107006795 /nfs/dbraw/zinc/00/67/95/1107006795.db2.gz IJPCJYBCPWFJDO-ZDUSSCGKSA-N 0 3 310.388 3.306 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCc2ccsc2)C1 ZINC001317111396 1107006966 /nfs/dbraw/zinc/00/69/66/1107006966.db2.gz BNYGQTSNTJOCDI-OKILXGFUSA-N 0 3 312.866 3.060 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001317113295 1107008235 /nfs/dbraw/zinc/00/82/35/1107008235.db2.gz ZMGLXBIXPMPFHP-GASCZTMLSA-N 0 3 308.372 3.058 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(Cl)cs1 ZINC001320571795 1107059040 /nfs/dbraw/zinc/05/90/40/1107059040.db2.gz YDLHVNYQGQZVSK-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C2CC2)cc1 ZINC001320646502 1107086304 /nfs/dbraw/zinc/08/63/04/1107086304.db2.gz QGOGJHFIUXABAF-CYBMUJFWSA-N 0 3 306.837 3.415 20 30 DGEDHN C=CCCCCCN1CCCC[C@H]1CNC(=O)c1cnco1 ZINC001317174807 1107089830 /nfs/dbraw/zinc/08/98/30/1107089830.db2.gz VKYSKGLVJHTXDB-HNNXBMFYSA-N 0 3 305.422 3.005 20 30 DGEDHN CC[C@@H](C)CC(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001320722138 1107117053 /nfs/dbraw/zinc/11/70/53/1107117053.db2.gz KRWUEBAFPGABCN-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CCC(=O)N(CC)CCNCc1c(C)nsc1C ZINC001320745224 1107123549 /nfs/dbraw/zinc/12/35/49/1107123549.db2.gz AXGLSJJAXQBJGE-UHFFFAOYSA-N 0 3 309.479 3.054 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC(C)C ZINC001317210231 1107130763 /nfs/dbraw/zinc/13/07/63/1107130763.db2.gz WKKJKRZWEPBGOT-QZTJIDSGSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CC#CC ZINC001317210743 1107130935 /nfs/dbraw/zinc/13/09/35/1107130935.db2.gz ZXJJRCKAJPOIHH-RBUKOAKNSA-N 0 3 314.473 3.049 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001317211391 1107132952 /nfs/dbraw/zinc/13/29/52/1107132952.db2.gz YXZPEAOKMAXQOG-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001317237340 1107162130 /nfs/dbraw/zinc/16/21/30/1107162130.db2.gz XLEXOAGXKMSIAE-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N[C@@H](C)c1ccccc1F ZINC001317239330 1107163665 /nfs/dbraw/zinc/16/36/65/1107163665.db2.gz BSTFBQPPYOXJIU-KGLIPLIRSA-N 0 3 304.409 3.031 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)c1ccccc1CC(C)(C)C ZINC001317246054 1107170609 /nfs/dbraw/zinc/17/06/09/1107170609.db2.gz FHHQPBHVXROBOE-OAHLLOKOSA-N 0 3 300.446 3.006 20 30 DGEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](CCC)CC2CCCCC2)C1 ZINC001317306129 1107223646 /nfs/dbraw/zinc/22/36/46/1107223646.db2.gz XEXCWKOHJULLKN-ROUUACIJSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CCC)CC2CCCCC2)C1 ZINC001317306128 1107223779 /nfs/dbraw/zinc/22/37/79/1107223779.db2.gz XEXCWKOHJULLKN-MSOLQXFVSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001317384517 1107294731 /nfs/dbraw/zinc/29/47/31/1107294731.db2.gz XJIYHCXINIBRKN-UBIUBJKMSA-N 0 3 310.441 3.036 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001317402661 1107319859 /nfs/dbraw/zinc/31/98/59/1107319859.db2.gz XZUDLUVENZTASN-QMMMGPOBSA-N 0 3 324.639 3.172 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(c2ccccc2F)CC1 ZINC001317409571 1107329960 /nfs/dbraw/zinc/32/99/60/1107329960.db2.gz DTUJNOLCHYUVJO-ZDUSSCGKSA-N 0 3 324.827 3.094 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001321468162 1107357559 /nfs/dbraw/zinc/35/75/59/1107357559.db2.gz DPZNADNVKSOBFD-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCCCC2)C1 ZINC001261256267 1107377914 /nfs/dbraw/zinc/37/79/14/1107377914.db2.gz XJCNHUWQTVBPNI-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001317458579 1107408711 /nfs/dbraw/zinc/40/87/11/1107408711.db2.gz IOLCMVJUFBDBAF-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN CCN(CCNC(=O)CC#Cc1ccccc1)Cc1ccccc1 ZINC001317491800 1107451332 /nfs/dbraw/zinc/45/13/32/1107451332.db2.gz FETPKEONNNDWTF-UHFFFAOYSA-N 0 3 320.436 3.067 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc(OC)c(C)c1 ZINC001317498329 1107457691 /nfs/dbraw/zinc/45/76/91/1107457691.db2.gz VPXRUCFSGQHKGD-KRWDZBQOSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(Cl)cc1OC ZINC001321949179 1107470759 /nfs/dbraw/zinc/47/07/59/1107470759.db2.gz GIYPKCIOQXSNPO-LBPRGKRZSA-N 0 3 324.852 3.155 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@]1(C)CCc2ccccc21 ZINC001317513559 1107476275 /nfs/dbraw/zinc/47/62/75/1107476275.db2.gz MEAAYHQTDIRINI-YLJYHZDGSA-N 0 3 312.457 3.047 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1oc2ccccc2c1C ZINC001317548118 1107518056 /nfs/dbraw/zinc/51/80/56/1107518056.db2.gz SAYUZCOAVDCEAV-UHFFFAOYSA-N 0 3 312.413 3.206 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1ccccc1Cl)C1CC1 ZINC001317559715 1107541325 /nfs/dbraw/zinc/54/13/25/1107541325.db2.gz IAMOVRMUQXDLDB-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1oc2c(cccc2F)c1C ZINC001322176528 1107556452 /nfs/dbraw/zinc/55/64/52/1107556452.db2.gz PWWOWRLFDOHZGT-NSHDSACASA-N 0 3 304.365 3.116 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(C(C)C)nc1C ZINC001317618295 1107564436 /nfs/dbraw/zinc/56/44/36/1107564436.db2.gz GZUADDHDLDJBSM-UHFFFAOYSA-N 0 3 317.477 3.274 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001322229847 1107581755 /nfs/dbraw/zinc/58/17/55/1107581755.db2.gz GBUKZWXWAYJMRT-INIZCTEOSA-N 0 3 314.473 3.468 20 30 DGEDHN C=CCCC(=O)N1CCC([C@@H](C)NCc2csc(C)n2)CC1 ZINC001317679815 1107598851 /nfs/dbraw/zinc/59/88/51/1107598851.db2.gz YKLSXKATWKSJHC-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001317722753 1107622747 /nfs/dbraw/zinc/62/27/47/1107622747.db2.gz ZMQOEEZRZMGGAT-CVEARBPZSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cccc(Cl)c2o1 ZINC001322313512 1107628868 /nfs/dbraw/zinc/62/88/68/1107628868.db2.gz JZBMQZOPLRIOSU-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN C[C@H](NCCOc1ccc2c(c1)CCC2)c1cc(C#N)ccn1 ZINC001262160518 1107632313 /nfs/dbraw/zinc/63/23/13/1107632313.db2.gz HQMOILAMDWUPGB-AWEZNQCLSA-N 0 3 307.397 3.172 20 30 DGEDHN C#CCCCC(=O)N(CCC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001317752994 1107637349 /nfs/dbraw/zinc/63/73/49/1107637349.db2.gz AYVSVRFVWPHGGG-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)/C=C/C(C)(C)C)C1 ZINC001317754081 1107639423 /nfs/dbraw/zinc/63/94/23/1107639423.db2.gz OMLGZWKEGJEKNB-SYJIQKIWSA-N 0 3 322.493 3.104 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001317770668 1107654884 /nfs/dbraw/zinc/65/48/84/1107654884.db2.gz UHBBOYKZAFZOKI-SJORKVTESA-N 0 3 316.445 3.109 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826870 1107692450 /nfs/dbraw/zinc/69/24/50/1107692450.db2.gz RGVXBCQNTPMAEE-HZPDHXFCSA-N 0 3 316.445 3.141 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001317826870 1107692453 /nfs/dbraw/zinc/69/24/53/1107692453.db2.gz RGVXBCQNTPMAEE-HZPDHXFCSA-N 0 3 316.445 3.141 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCNCc1ccccc1C#N ZINC001322528375 1107698158 /nfs/dbraw/zinc/69/81/58/1107698158.db2.gz JKGJVNGWWSCUFN-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc(F)c(C#N)c(F)c1 ZINC001262573196 1107726850 /nfs/dbraw/zinc/72/68/50/1107726850.db2.gz PEACXKGBHYGODL-SGTLLEGYSA-N 0 3 316.351 3.091 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cccc(CC)c2)C1 ZINC001317969302 1107772388 /nfs/dbraw/zinc/77/23/88/1107772388.db2.gz SSUWXWNEDWCSBT-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001317987256 1107785674 /nfs/dbraw/zinc/78/56/74/1107785674.db2.gz GNNZAWCLTMAQJM-DLBZAZTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(F)cc1F ZINC001318204380 1107896848 /nfs/dbraw/zinc/89/68/48/1107896848.db2.gz JMAPPHDZEJAXOM-KBPBESRZSA-N 0 3 320.383 3.138 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(Cc2ccccc2)CCC1 ZINC001323246666 1107901635 /nfs/dbraw/zinc/90/16/35/1107901635.db2.gz OOWDNJNGSCBMSB-SFHVURJKSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CC1(c2ccccc2)CC1 ZINC001323246485 1107901925 /nfs/dbraw/zinc/90/19/25/1107901925.db2.gz NOJCYWJEFKGCGN-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001323258299 1107904099 /nfs/dbraw/zinc/90/40/99/1107904099.db2.gz IESICMIWLAYCEK-OAHLLOKOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001323292787 1107920685 /nfs/dbraw/zinc/92/06/85/1107920685.db2.gz IKKGEWVPUCVJBI-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001318272826 1107923156 /nfs/dbraw/zinc/92/31/56/1107923156.db2.gz CLMAEJQESLGPFZ-IBGZPJMESA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001323294106 1107923411 /nfs/dbraw/zinc/92/34/11/1107923411.db2.gz SFCOXAJUPDUEEE-QWHCGFSZSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001318280826 1107928438 /nfs/dbraw/zinc/92/84/38/1107928438.db2.gz AUXMWZUSXWASDA-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001323323810 1107936020 /nfs/dbraw/zinc/93/60/20/1107936020.db2.gz KBPCZSQJCQCWJL-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001323325743 1107937865 /nfs/dbraw/zinc/93/78/65/1107937865.db2.gz WAJPYRDGMUXUEV-SFHVURJKSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001323325740 1107937916 /nfs/dbraw/zinc/93/79/16/1107937916.db2.gz WAJPYRDGMUXUEV-GOSISDBHSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc3cc(OC)ccc3c2)CC1 ZINC001318326898 1107944671 /nfs/dbraw/zinc/94/46/71/1107944671.db2.gz KNNZRMQHTXDZBJ-UHFFFAOYSA-N 0 3 324.424 3.229 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001323350609 1107945026 /nfs/dbraw/zinc/94/50/26/1107945026.db2.gz GCWZSYDCJVMPGA-HZPDHXFCSA-N 0 3 303.450 3.228 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC001263145253 1107959047 /nfs/dbraw/zinc/95/90/47/1107959047.db2.gz MFLCPPMREGIOSH-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001263146830 1107960203 /nfs/dbraw/zinc/96/02/03/1107960203.db2.gz JGQJSZMQDGHUIE-YESZJQIVSA-N 0 3 310.482 3.092 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1 ZINC001263221229 1107978311 /nfs/dbraw/zinc/97/83/11/1107978311.db2.gz IROYKHUAFXIICP-JKSUJKDBSA-N 0 3 322.836 3.123 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001318421842 1107992648 /nfs/dbraw/zinc/99/26/48/1107992648.db2.gz FYNIITGTEXMHAT-WBVHZDCISA-N 0 3 300.446 3.493 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001318421840 1107993250 /nfs/dbraw/zinc/99/32/50/1107993250.db2.gz FYNIITGTEXMHAT-NVXWUHKLSA-N 0 3 300.446 3.493 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001318427382 1107998703 /nfs/dbraw/zinc/99/87/03/1107998703.db2.gz DYIXMMLVPKHAOC-WBVHZDCISA-N 0 3 318.436 3.113 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(F)cc1F ZINC001263290767 1107999230 /nfs/dbraw/zinc/99/92/30/1107999230.db2.gz BPUNKXMLJKMGLC-RISCZKNCSA-N 0 3 322.355 3.084 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001318437612 1108003820 /nfs/dbraw/zinc/00/38/20/1108003820.db2.gz RJBUMQCSKVBVIX-CVEARBPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCCc2ccc(C)cc2)C1 ZINC001318454920 1108018170 /nfs/dbraw/zinc/01/81/70/1108018170.db2.gz YKXNOPCSYLCQAM-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1Cc1ccco1 ZINC001263380642 1108030717 /nfs/dbraw/zinc/03/07/17/1108030717.db2.gz WGKFDMCUGHCKBE-INIZCTEOSA-N 0 3 320.352 3.026 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001318492610 1108053670 /nfs/dbraw/zinc/05/36/70/1108053670.db2.gz RQQSMQZYESDWGU-HKUYNNGSSA-N 0 3 312.457 3.455 20 30 DGEDHN C#Cc1ccc(COC(=O)c2cccc(CN3CCCC3)c2)nc1 ZINC001263484700 1108067678 /nfs/dbraw/zinc/06/76/78/1108067678.db2.gz CNJRAEOQLPEKBX-UHFFFAOYSA-N 0 3 320.392 3.016 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001323737043 1108072444 /nfs/dbraw/zinc/07/24/44/1108072444.db2.gz YYIPFEZHTYKQPQ-NVXWUHKLSA-N 0 3 324.896 3.488 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C2)CC1 ZINC001323834847 1108099160 /nfs/dbraw/zinc/09/91/60/1108099160.db2.gz DYWDIYCQIWEBCI-IRXDYDNUSA-N 0 3 318.505 3.252 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1(C#N)CCCCC1 ZINC001263616260 1108109723 /nfs/dbraw/zinc/10/97/23/1108109723.db2.gz RPQBSDDARHFCEO-LLVKDONJSA-N 0 3 304.781 3.114 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001263616185 1108110121 /nfs/dbraw/zinc/11/01/21/1108110121.db2.gz PVOJLKDYPDCOPT-NXEZZACHSA-N 0 3 300.189 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOCc1ccccc1 ZINC001263616929 1108112132 /nfs/dbraw/zinc/11/21/32/1108112132.db2.gz NZAAEHYMAINBGO-INIZCTEOSA-N 0 3 311.385 3.076 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOCc1ccccc1 ZINC001263616930 1108112376 /nfs/dbraw/zinc/11/23/76/1108112376.db2.gz NZAAEHYMAINBGO-MRXNPFEDSA-N 0 3 311.385 3.076 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001263620454 1108116862 /nfs/dbraw/zinc/11/68/62/1108116862.db2.gz VCQNSLSMHLTIKL-GHMZBOCLSA-N 0 3 317.776 3.352 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001318622136 1108128341 /nfs/dbraw/zinc/12/83/41/1108128341.db2.gz XUFXIIACOPRTCE-UHFFFAOYSA-N 0 3 305.381 3.197 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)cc2)CCCC1 ZINC001318664109 1108143463 /nfs/dbraw/zinc/14/34/63/1108143463.db2.gz JJTVJGHRHMCYCH-UHFFFAOYSA-N 0 3 306.837 3.380 20 30 DGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC001324022671 1108149753 /nfs/dbraw/zinc/14/97/53/1108149753.db2.gz RRHCQVUPEQPNEU-DZGCQCFKSA-N 0 3 305.422 3.068 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccccn2)CCCC[C@H]1C ZINC001318745549 1108179778 /nfs/dbraw/zinc/17/97/78/1108179778.db2.gz YXQWMCNEFIXWCH-DYVFJYSZSA-N 0 3 321.852 3.102 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CCNCc2conc2C)C1 ZINC001318827338 1108207586 /nfs/dbraw/zinc/20/75/86/1108207586.db2.gz PPYRGXCGRSLUOA-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(C)CCC(F)(F)CC1 ZINC001263801658 1108208268 /nfs/dbraw/zinc/20/82/68/1108208268.db2.gz AIVAZBMVTXFGLP-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001318836280 1108212643 /nfs/dbraw/zinc/21/26/43/1108212643.db2.gz KLRTWLHELFLIHS-LSDHHAIUSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccccc1C ZINC001263812344 1108219317 /nfs/dbraw/zinc/21/93/17/1108219317.db2.gz LROUQCFOABSNBY-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001263814648 1108223311 /nfs/dbraw/zinc/22/33/11/1108223311.db2.gz JKVFLFLBMFWXBJ-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001263841991 1108249302 /nfs/dbraw/zinc/24/93/02/1108249302.db2.gz BKQWESAAXXSUOO-RWMBFGLXSA-N 0 3 320.811 3.049 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001324413341 1108279878 /nfs/dbraw/zinc/27/98/78/1108279878.db2.gz LEIZMVUJYWPSIK-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)c1cccc(C)c1C)C1CCN(CC(=C)C)CC1 ZINC001324440314 1108289036 /nfs/dbraw/zinc/28/90/36/1108289036.db2.gz USJVOQIKMFYWHV-UHFFFAOYSA-N 0 3 324.468 3.419 20 30 DGEDHN C=C[C@H](COC)N[C@@H]1CCc2c1ccc(F)c2Br ZINC001324543976 1108335480 /nfs/dbraw/zinc/33/54/80/1108335480.db2.gz WXEYZAQBRZVHKX-NOZJJQNGSA-N 0 3 314.198 3.366 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CCCCC)C2 ZINC001324550569 1108336869 /nfs/dbraw/zinc/33/68/69/1108336869.db2.gz VSAPMDYPFOUIAS-IBGZPJMESA-N 0 3 304.478 3.295 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)[C@@H]21 ZINC001264029589 1108341764 /nfs/dbraw/zinc/34/17/64/1108341764.db2.gz GPJHNZICYXVHIY-BHIYHBOVSA-N 0 3 316.489 3.361 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)CCCCC(C)(C)C)C[C@@H]2C1 ZINC001264089199 1108370741 /nfs/dbraw/zinc/37/07/41/1108370741.db2.gz LRGNNBCJVJWWIR-SJORKVTESA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(CCC)CCC)C[C@@H]2C1 ZINC001264094621 1108371296 /nfs/dbraw/zinc/37/12/96/1108371296.db2.gz NRULIOOCLYSJAD-MSOLQXFVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCC(=O)N[C@]1(C)CCN(CCc2ccccc2F)C1 ZINC001324642896 1108397195 /nfs/dbraw/zinc/39/71/95/1108397195.db2.gz ZDXVHAQKHHZENY-LJQANCHMSA-N 0 3 318.436 3.305 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)OC2CCCCC2)[C@H]1C ZINC001264141682 1108399878 /nfs/dbraw/zinc/39/98/78/1108399878.db2.gz FAUKTRQFUVJTQX-NJAFHUGGSA-N 0 3 322.493 3.269 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2sccc2C)CCCC1 ZINC001319331769 1108415912 /nfs/dbraw/zinc/41/59/12/1108415912.db2.gz OUVSDELQGJCIDB-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001324671565 1108416181 /nfs/dbraw/zinc/41/61/81/1108416181.db2.gz FCMXOLIZCJJWSQ-YLJYHZDGSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 ZINC001264183350 1108420626 /nfs/dbraw/zinc/42/06/26/1108420626.db2.gz ORFQYFAQPILIAH-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)c2ccco2)CCCC1 ZINC001319374855 1108435627 /nfs/dbraw/zinc/43/56/27/1108435627.db2.gz NSBMJPLHNQTEEE-CYBMUJFWSA-N 0 3 310.825 3.154 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001264373003 1108484508 /nfs/dbraw/zinc/48/45/08/1108484508.db2.gz PRASMCGUCSDHNT-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001264375176 1108489999 /nfs/dbraw/zinc/48/99/99/1108489999.db2.gz VXGJCQWTKLLVOZ-APWZRJJASA-N 0 3 314.473 3.461 20 30 DGEDHN C#CCOCCN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001319553259 1108522783 /nfs/dbraw/zinc/52/27/83/1108522783.db2.gz LFSBACGJGDNSIV-UHFFFAOYSA-N 0 3 322.408 3.021 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001324942900 1108526214 /nfs/dbraw/zinc/52/62/14/1108526214.db2.gz BCQNJKOHNRBKRS-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001264430742 1108527714 /nfs/dbraw/zinc/52/77/14/1108527714.db2.gz MDWBTNSUQYQELR-SFHLNBCPSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC001264473785 1108545686 /nfs/dbraw/zinc/54/56/86/1108545686.db2.gz XRTUBUCUEANRQF-UONOGXRCSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001324979913 1108548609 /nfs/dbraw/zinc/54/86/09/1108548609.db2.gz ZFHXGVXUADJNFD-KRWDZBQOSA-N 0 3 324.827 3.497 20 30 DGEDHN C[C@H](NC(=O)c1csc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC001325191468 1108590882 /nfs/dbraw/zinc/59/08/82/1108590882.db2.gz NYDAVBQUPYOBSA-LRDDRELGSA-N 0 3 313.426 3.041 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001319688273 1108595152 /nfs/dbraw/zinc/59/51/52/1108595152.db2.gz BABYCOYUTDNAHV-UILUVHTGSA-N 0 3 319.276 3.488 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2cccs2)[C@H]1CC ZINC001264624769 1108597431 /nfs/dbraw/zinc/59/74/31/1108597431.db2.gz DGPFJUJRXXQFHC-DLBZAZTESA-N 0 3 318.486 3.063 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)CCCCC)C[C@@H]2C1 ZINC001264653378 1108604934 /nfs/dbraw/zinc/60/49/34/1108604934.db2.gz UZQKGMNJWHUBLZ-KSZLIROESA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001264716844 1108630133 /nfs/dbraw/zinc/63/01/33/1108630133.db2.gz ZTJJDQPJWUWOEW-AEFFLSMTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1CC ZINC001325366356 1108634970 /nfs/dbraw/zinc/63/49/70/1108634970.db2.gz MVFZQIUWNHNIOZ-NXHRZFHOSA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1CC ZINC001325367306 1108635250 /nfs/dbraw/zinc/63/52/50/1108635250.db2.gz SNXJPLSLJQCYIN-CRAIPNDOSA-N 0 3 302.462 3.474 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1cocc1C ZINC001265128508 1108743580 /nfs/dbraw/zinc/74/35/80/1108743580.db2.gz WUICPKIPOVXCJD-UHFFFAOYSA-N 0 3 324.424 3.082 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001265205438 1108775948 /nfs/dbraw/zinc/77/59/48/1108775948.db2.gz IZPCWSASKUYXDS-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001265222826 1108786114 /nfs/dbraw/zinc/78/61/14/1108786114.db2.gz LMKFSPMJWKOGCD-ZFWWWQNUSA-N 0 3 314.420 3.215 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ncoc2CC)C1 ZINC001265277098 1108801708 /nfs/dbraw/zinc/80/17/08/1108801708.db2.gz LXBSYPNNEAMNHP-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001265403672 1108863933 /nfs/dbraw/zinc/86/39/33/1108863933.db2.gz OQZUCDKIONHIIY-OWCVQMPJSA-N 0 3 304.478 3.454 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@H](C)C1 ZINC001265408634 1108864831 /nfs/dbraw/zinc/86/48/31/1108864831.db2.gz PGHRFECQQAKGSA-XDNAFOTISA-N 0 3 322.493 3.057 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccc2Cl)C1 ZINC001265531532 1108902089 /nfs/dbraw/zinc/90/20/89/1108902089.db2.gz MRQBAUKCHFCQTN-OKILXGFUSA-N 0 3 322.836 3.052 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001265603634 1108930817 /nfs/dbraw/zinc/93/08/17/1108930817.db2.gz ZFLVNNHEGZPBTB-FMNNIJNLSA-N 0 3 305.249 3.100 20 30 DGEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCCN1CC=C(C)C)OCC ZINC001265648089 1108947719 /nfs/dbraw/zinc/94/77/19/1108947719.db2.gz XSORPQQXBBUEHE-ZWKOTPCHSA-N 0 3 322.493 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)COC1CCC(C)CC1 ZINC001265658313 1108954134 /nfs/dbraw/zinc/95/41/34/1108954134.db2.gz WNGPSMPKQNCSJN-ADKAHSJRSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001265706048 1108977917 /nfs/dbraw/zinc/97/79/17/1108977917.db2.gz QBDQKQJPLWRYPJ-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ccc(F)c(Cl)c1 ZINC001265772730 1109001148 /nfs/dbraw/zinc/00/11/48/1109001148.db2.gz IEECNZUYLLBFKN-LBPRGKRZSA-N 0 3 324.827 3.123 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001265812946 1109011927 /nfs/dbraw/zinc/01/19/27/1109011927.db2.gz HPUKJFSPNMKQJN-HUUCEWRRSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)NCc2cc(C)ccc2F)C1 ZINC001265821774 1109016222 /nfs/dbraw/zinc/01/62/22/1109016222.db2.gz ZSKVZVOTWLWMSW-AWEZNQCLSA-N 0 3 304.409 3.085 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2cscc2s1 ZINC001265892179 1109036367 /nfs/dbraw/zinc/03/63/67/1109036367.db2.gz RWJUGGXQUGPJPV-UHFFFAOYSA-N 0 3 306.456 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001266006439 1109062088 /nfs/dbraw/zinc/06/20/88/1109062088.db2.gz LLVYWBGXSKCAEH-GOEBONIOSA-N 0 3 321.852 3.115 20 30 DGEDHN C#CCC1(C(=O)NCC[C@@H](C)NCC(=C)Cl)CCCCC1 ZINC001266192457 1109121780 /nfs/dbraw/zinc/12/17/80/1109121780.db2.gz WMPLZIMGKRECHI-OAHLLOKOSA-N 0 3 310.869 3.197 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)/C=C/c1ccco1 ZINC001266199268 1109124497 /nfs/dbraw/zinc/12/44/97/1109124497.db2.gz YIFSBAKMHDJCGE-HVHJFMEUSA-N 0 3 322.836 3.406 20 30 DGEDHN CC(C)C(=O)NCCC[C@H]1CCCN1Cc1ccccc1C#N ZINC001266200702 1109125293 /nfs/dbraw/zinc/12/52/93/1109125293.db2.gz AIHMKRRVJNEKIB-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001266215371 1109129450 /nfs/dbraw/zinc/12/94/50/1109129450.db2.gz JSBJMWZMYWMVPE-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001266215373 1109129774 /nfs/dbraw/zinc/12/97/74/1109129774.db2.gz JSBJMWZMYWMVPE-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC001266233910 1109134334 /nfs/dbraw/zinc/13/43/34/1109134334.db2.gz UCAQRHUPSQGMLI-FUHWJXTLSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001266237499 1109135996 /nfs/dbraw/zinc/13/59/96/1109135996.db2.gz XITKSDMPADULDA-AEFFLSMTSA-N 0 3 300.446 3.370 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001266237502 1109136379 /nfs/dbraw/zinc/13/63/79/1109136379.db2.gz XITKSDMPADULDA-WMZOPIPTSA-N 0 3 300.446 3.370 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2conc2C)C1 ZINC001266237286 1109136567 /nfs/dbraw/zinc/13/65/67/1109136567.db2.gz SJIUIPSCRLEOOO-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccccc2C)C1 ZINC001266240523 1109137316 /nfs/dbraw/zinc/13/73/16/1109137316.db2.gz WTMHSARKLRITIZ-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001266242585 1109138099 /nfs/dbraw/zinc/13/80/99/1109138099.db2.gz FGJFNKZTXUUALP-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](CC)C(C)(C)C ZINC001279587249 1109156964 /nfs/dbraw/zinc/15/69/64/1109156964.db2.gz LTQOTIDQHTWJKS-YESZJQIVSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001316599377 1109165695 /nfs/dbraw/zinc/16/56/95/1109165695.db2.gz BVJJYMSFDFEWMM-ZHALLVOQSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001316599703 1109167381 /nfs/dbraw/zinc/16/73/81/1109167381.db2.gz FDZHTISPAPLPGQ-AEFFLSMTSA-N 0 3 312.457 3.419 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@H]1C=CCC1 ZINC001280314982 1109184660 /nfs/dbraw/zinc/18/46/60/1109184660.db2.gz GOHKVEZHIWQODU-KRWDZBQOSA-N 0 3 310.441 3.114 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC001280333866 1109186937 /nfs/dbraw/zinc/18/69/37/1109186937.db2.gz PKKBFHXIEDTKRH-ROUUACIJSA-N 0 3 300.446 3.213 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@H](C)CC)cc1 ZINC001280354286 1109189377 /nfs/dbraw/zinc/18/93/77/1109189377.db2.gz MIQXYFGPYVAKDM-CVEARBPZSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC001280383477 1109196178 /nfs/dbraw/zinc/19/61/78/1109196178.db2.gz VXKCMDALSMVEAT-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1ccc(F)cc1F ZINC001280434039 1109203078 /nfs/dbraw/zinc/20/30/78/1109203078.db2.gz IKOXGPOQMOAHCQ-MRXNPFEDSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001316604548 1109226106 /nfs/dbraw/zinc/22/61/06/1109226106.db2.gz ZGKFCZFSDQOYJU-AWEZNQCLSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001316605437 1109241641 /nfs/dbraw/zinc/24/16/41/1109241641.db2.gz KJPGNXXXFNEZFA-ZDUSSCGKSA-N 0 3 312.360 3.330 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)/C=C\C(C)(C)C)C1 ZINC001280890238 1109269991 /nfs/dbraw/zinc/26/99/91/1109269991.db2.gz VZMJFGOBMIOSJU-IXTIOBCPSA-N 0 3 316.489 3.315 20 30 DGEDHN CCCCCCN1Cc2ccc(CNC(=O)[C@H](C)C#N)cc2C1 ZINC001281292679 1109324299 /nfs/dbraw/zinc/32/42/99/1109324299.db2.gz HLJCFRBJKMMXHD-OAHLLOKOSA-N 0 3 313.445 3.358 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccc(F)cc1F ZINC001316609880 1109334405 /nfs/dbraw/zinc/33/44/05/1109334405.db2.gz YOXOPNSWWOQMPO-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001281379606 1109343121 /nfs/dbraw/zinc/34/31/21/1109343121.db2.gz WSAVBBQMHMETSS-WBMJQRKESA-N 0 3 324.827 3.382 20 30 DGEDHN C[C@H]1CN(C(=O)CCC2CCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001281390215 1109343806 /nfs/dbraw/zinc/34/38/06/1109343806.db2.gz ZVMPMHYHXRYOQD-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCO[C@H](C)CC(C)C)C(C)(C)C1 ZINC001281555705 1109379930 /nfs/dbraw/zinc/37/99/30/1109379930.db2.gz HQAODWUFVFNTLM-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001281657197 1109389870 /nfs/dbraw/zinc/38/98/70/1109389870.db2.gz CGCGEAVAXQEREX-UONOGXRCSA-N 0 3 318.383 3.102 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cc(C)ccc1C ZINC001281744943 1109403264 /nfs/dbraw/zinc/40/32/64/1109403264.db2.gz NRDJIMGETNZTAU-HNNXBMFYSA-N 0 3 308.853 3.083 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001281839826 1109410650 /nfs/dbraw/zinc/41/06/50/1109410650.db2.gz DSAWLAGAHMXKAL-INIZCTEOSA-N 0 3 324.896 3.490 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1F ZINC001282122883 1109454004 /nfs/dbraw/zinc/45/40/04/1109454004.db2.gz HXZAYNLJBAVPMX-CHWSQXEVSA-N 0 3 324.827 3.265 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001282185002 1109464694 /nfs/dbraw/zinc/46/46/94/1109464694.db2.gz LFLKGFYCGOWBOC-QWHCGFSZSA-N 0 3 321.490 3.429 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC1CCCC1 ZINC001282279782 1109479595 /nfs/dbraw/zinc/47/95/95/1109479595.db2.gz IGDXDANZPKSOFZ-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C[C@H](CNC(=O)C1CCCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001282344632 1109489337 /nfs/dbraw/zinc/48/93/37/1109489337.db2.gz XBZYOTXNHIQQNW-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001282498408 1109527568 /nfs/dbraw/zinc/52/75/68/1109527568.db2.gz XLSRQRKGQXBCSH-GJZGRUSLSA-N 0 3 306.425 3.017 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC001282619718 1109538570 /nfs/dbraw/zinc/53/85/70/1109538570.db2.gz ZBOUCCHXQPAYMT-FICVDOATSA-N 0 3 310.869 3.194 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001282665577 1109547280 /nfs/dbraw/zinc/54/72/80/1109547280.db2.gz GJQYWFPYUXRVMN-KGLIPLIRSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001282665579 1109547735 /nfs/dbraw/zinc/54/77/35/1109547735.db2.gz GJQYWFPYUXRVMN-ZIAGYGMSSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001282714600 1109555913 /nfs/dbraw/zinc/55/59/13/1109555913.db2.gz JVNDMCLWYVTWHQ-INIZCTEOSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001282715173 1109556315 /nfs/dbraw/zinc/55/63/15/1109556315.db2.gz PWIJVTDAFCNXSY-MRXNPFEDSA-N 0 3 312.457 3.392 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001282724354 1109556792 /nfs/dbraw/zinc/55/67/92/1109556792.db2.gz GFSGMRPVQGYTNX-FOSCPCJNSA-N 0 3 316.420 3.242 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001282738753 1109559399 /nfs/dbraw/zinc/55/93/99/1109559399.db2.gz HPFPRMGAUPRYOS-DOXZYTNZSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](C)C1CN(CC(=C)C)C1)c1ccccc1 ZINC001282745442 1109562208 /nfs/dbraw/zinc/56/22/08/1109562208.db2.gz SUSDUSAFASYKPI-IRXDYDNUSA-N 0 3 312.457 3.359 20 30 DGEDHN Cc1cc(C)cc(CN2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)c1 ZINC001282800987 1109567934 /nfs/dbraw/zinc/56/79/34/1109567934.db2.gz QWJNWBSYBUQFAZ-LJQANCHMSA-N 0 3 324.468 3.043 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC001282834212 1109572886 /nfs/dbraw/zinc/57/28/86/1109572886.db2.gz PWFALHWIELIMJN-CQSZACIVSA-N 0 3 321.490 3.112 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001283071196 1109591061 /nfs/dbraw/zinc/59/10/61/1109591061.db2.gz KRXIBTSTHLIFTM-VPULCZNWSA-N 0 3 323.440 3.065 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1c(C)nsc1C)C1CC1 ZINC001283491356 1109644132 /nfs/dbraw/zinc/64/41/32/1109644132.db2.gz AOCSIOOINSEWEP-MRXNPFEDSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCOC2CCC2)[C@H]1C ZINC001284127615 1109742342 /nfs/dbraw/zinc/74/23/42/1109742342.db2.gz CHRFYIUMVWEBRY-RDJZCZTQSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2nc(C)c(C)s2)[C@@H]1C ZINC001284156097 1109750599 /nfs/dbraw/zinc/75/05/99/1109750599.db2.gz WQQNQUMTEKSWFR-ZFWWWQNUSA-N 0 3 321.490 3.309 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cnc(CC2CC2)s1)C(C)C ZINC001284544180 1109808304 /nfs/dbraw/zinc/80/83/04/1109808304.db2.gz NFHDUTMBUDQTRC-UHFFFAOYSA-N 0 3 321.490 3.064 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1csc(Cl)n1)C(C)C ZINC001284553208 1109810438 /nfs/dbraw/zinc/81/04/38/1109810438.db2.gz DVHLECJBWWVAJJ-UHFFFAOYSA-N 0 3 315.870 3.155 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001284701545 1109844354 /nfs/dbraw/zinc/84/43/54/1109844354.db2.gz ACMFLKKYKSDVLA-YLJYHZDGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001284737956 1109852345 /nfs/dbraw/zinc/85/23/45/1109852345.db2.gz OSRYOTWUCQGDBK-UONOGXRCSA-N 0 3 318.383 3.288 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001301882241 1111102553 /nfs/dbraw/zinc/10/25/53/1111102553.db2.gz QUACAMGZKOKFHA-PKOBYXMFSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C#CC(C)(C)C ZINC001316683052 1111108578 /nfs/dbraw/zinc/10/85/78/1111108578.db2.gz ZVEKJMRYLFCFTN-HOCLYGCPSA-N 0 3 324.896 3.395 20 30 DGEDHN Cc1cc(NC[C@@H]2N(C)CCCC2(C)C)c(C#N)cc1[N+](=O)[O-] ZINC001307113207 1111266841 /nfs/dbraw/zinc/26/68/41/1111266841.db2.gz YHQRXTJZKLLCBV-INIZCTEOSA-N 0 3 316.405 3.307 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)c(F)c1 ZINC001307611967 1111320049 /nfs/dbraw/zinc/32/00/49/1111320049.db2.gz UHFXQZNIEMVTNH-SUMWQHHRSA-N 0 3 319.424 3.183 20 30 DGEDHN CC(C)(C)OC(=O)N1CC(N(CCCC(C)(C)C#N)C2CC2)C1 ZINC001307888411 1111351106 /nfs/dbraw/zinc/35/11/06/1111351106.db2.gz PEPAVGBAZAKWFE-UHFFFAOYSA-N 0 3 321.465 3.400 20 30 DGEDHN C=CCN([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001307938252 1111358239 /nfs/dbraw/zinc/35/82/39/1111358239.db2.gz JMYAPALBLKYARS-KRWDZBQOSA-N 0 3 311.429 3.340 20 30 DGEDHN C#CCN(C[C@H]1CC2(CCC2)C(=O)O1)[C@H]1CCCc2ccccc21 ZINC001308105197 1111378580 /nfs/dbraw/zinc/37/85/80/1111378580.db2.gz YUNYNIXZIZGGNU-MJGOQNOKSA-N 0 3 323.436 3.485 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2ncccc2C)cc1 ZINC001308153186 1111385350 /nfs/dbraw/zinc/38/53/50/1111385350.db2.gz MMUHCCSOFFGAEI-OAHLLOKOSA-N 0 3 307.397 3.051 20 30 DGEDHN CC#CC[C@H](CO)NCc1cc(F)ccc1N(C)CCCCC ZINC001308449957 1111429884 /nfs/dbraw/zinc/42/98/84/1111429884.db2.gz CPAYCSVAXGIZIS-GOSISDBHSA-N 0 3 320.452 3.316 20 30 DGEDHN CC#CC[C@@H](CO)NCc1ccc(Oc2cccc(F)c2)cc1 ZINC001308450293 1111430092 /nfs/dbraw/zinc/43/00/92/1111430092.db2.gz JPTDRJHUDCHGCK-KRWDZBQOSA-N 0 3 313.372 3.482 20 30 DGEDHN CC#CC[C@H](CO)NCc1ccc(Oc2cccc(F)c2)cc1 ZINC001308450294 1111430302 /nfs/dbraw/zinc/43/03/02/1111430302.db2.gz JPTDRJHUDCHGCK-QGZVFWFLSA-N 0 3 313.372 3.482 20 30 DGEDHN C#CCOc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1 ZINC001308531627 1111438925 /nfs/dbraw/zinc/43/89/25/1111438925.db2.gz JRSRTOJENHYPLY-FQEVSTJZSA-N 0 3 307.393 3.486 20 30 DGEDHN C#CCN(CC)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001308632173 1111453504 /nfs/dbraw/zinc/45/35/04/1111453504.db2.gz WKRZLMWLVBEZSA-UHFFFAOYSA-N 0 3 302.418 3.166 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001317513292 1111620233 /nfs/dbraw/zinc/62/02/33/1111620233.db2.gz JLBOPDPADLDZQO-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001317513294 1111620370 /nfs/dbraw/zinc/62/03/70/1111620370.db2.gz JLBOPDPADLDZQO-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001312641753 1111664395 /nfs/dbraw/zinc/66/43/95/1111664395.db2.gz MJILVCYKFMGEMA-CVEARBPZSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001312856636 1111676957 /nfs/dbraw/zinc/67/69/57/1111676957.db2.gz NQXROHUZXHOZOJ-SFHVURJKSA-N 0 3 315.461 3.307 20 30 DGEDHN CCCN(CCNC(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC001317539056 1111694124 /nfs/dbraw/zinc/69/41/24/1111694124.db2.gz PIVYDESHTLAOBU-UHFFFAOYSA-N 0 3 321.424 3.200 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001316718642 1111736140 /nfs/dbraw/zinc/73/61/40/1111736140.db2.gz HWFVOHLDRNCBCF-OIISXLGYSA-N 0 3 304.478 3.051 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001317085675 1111747777 /nfs/dbraw/zinc/74/77/77/1111747777.db2.gz BXTXVVKBUZEEFT-AAVRWANBSA-N 0 3 300.874 3.294 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001317085681 1111747888 /nfs/dbraw/zinc/74/78/88/1111747888.db2.gz BXTXVVKBUZEEFT-CRWXNKLISA-N 0 3 300.874 3.294 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)C2(CC(C)C)CCCC2)[C@H]1C ZINC001316796399 1111769936 /nfs/dbraw/zinc/76/99/36/1111769936.db2.gz QYPUZWZWHOLOOT-SJORKVTESA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)c(C)c1 ZINC001316805991 1111772405 /nfs/dbraw/zinc/77/24/05/1111772405.db2.gz AILXIGNHAPQIAT-SFHVURJKSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001316874168 1111787658 /nfs/dbraw/zinc/78/76/58/1111787658.db2.gz IVNKRVDSYFOLOT-DZGCQCFKSA-N 0 3 310.825 3.313 20 30 DGEDHN N#Cc1csc(CN[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000309849034 231108469 /nfs/dbraw/zinc/10/84/69/231108469.db2.gz WOBZFAUPAFDAEF-QGZVFWFLSA-N 0 3 311.454 3.374 20 30 DGEDHN CC[C@H](NCCC(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000278758210 214379891 /nfs/dbraw/zinc/37/98/91/214379891.db2.gz OJAMUQAZSHBFMD-SFHVURJKSA-N 0 3 313.445 3.392 20 30 DGEDHN CC[C@H](Cc1ccccc1Br)NC(=O)C(C)C#N ZINC000347988877 529431616 /nfs/dbraw/zinc/43/16/16/529431616.db2.gz AOBDRACWCLHMNB-ZYHUDNBSSA-N 0 3 309.207 3.046 20 30 DGEDHN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1C ZINC000355132956 529491230 /nfs/dbraw/zinc/49/12/30/529491230.db2.gz NGFNWCPPKWMMPT-GFCCVEGCSA-N 0 3 321.302 3.491 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000182597862 529649017 /nfs/dbraw/zinc/64/90/17/529649017.db2.gz ZHFIIOCDAHXYQR-WFASDCNBSA-N 0 3 307.825 3.141 20 30 DGEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343454285 529651983 /nfs/dbraw/zinc/65/19/83/529651983.db2.gz VHCPKFBOWIOVMG-UERKLNTKSA-N 0 3 307.482 3.284 20 30 DGEDHN CCc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1 ZINC000434619954 529668222 /nfs/dbraw/zinc/66/82/22/529668222.db2.gz VNFICUZCYDZRPG-CQSZACIVSA-N 0 3 304.353 3.021 20 30 DGEDHN Cc1nn(C)c(C)c1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360842078 282262155 /nfs/dbraw/zinc/26/21/55/282262155.db2.gz VCVYQCHIVASQDO-IBGZPJMESA-N 0 3 308.429 3.466 20 30 DGEDHN CN1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000341974220 529773558 /nfs/dbraw/zinc/77/35/58/529773558.db2.gz HUJWHAZKVGYPPE-NRFANRHFSA-N 0 3 319.452 3.111 20 30 DGEDHN CCN(CCO[C@@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655217 199333997 /nfs/dbraw/zinc/33/39/97/199333997.db2.gz JXZRJKLTRJSNQC-MAUKXSAKSA-N 0 3 302.418 3.484 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000103468911 432009710 /nfs/dbraw/zinc/00/97/10/432009710.db2.gz HHDVQVPLFATDEE-KRWDZBQOSA-N 0 3 308.385 3.052 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000064932957 432009853 /nfs/dbraw/zinc/00/98/53/432009853.db2.gz CWUVDLCFCDCLHP-CRAIPNDOSA-N 0 3 315.461 3.372 20 30 DGEDHN CN(Cc1ccc(CC#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000342763903 529984580 /nfs/dbraw/zinc/98/45/80/529984580.db2.gz FCFMKBFNJXFQRQ-QGZVFWFLSA-N 0 3 308.381 3.024 20 30 DGEDHN CN(c1ncc(C#N)cc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000413184353 530038404 /nfs/dbraw/zinc/03/84/04/530038404.db2.gz NQLFAICHPNITIN-KRWDZBQOSA-N 0 3 324.403 3.193 20 30 DGEDHN COc1ccc(COCCN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181979910 199371278 /nfs/dbraw/zinc/37/12/78/199371278.db2.gz BIIIJTZMPWCAJE-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N1CCCCC1 ZINC000104241663 432015914 /nfs/dbraw/zinc/01/59/14/432015914.db2.gz UCWMVWLOTNQROK-CRAIPNDOSA-N 0 3 313.445 3.246 20 30 DGEDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000130224524 432018044 /nfs/dbraw/zinc/01/80/44/432018044.db2.gz OJLCYQQJWJAWKD-SFHVURJKSA-N 0 3 322.412 3.365 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2OC(F)F)CC1 ZINC000106037415 432019114 /nfs/dbraw/zinc/01/91/14/432019114.db2.gz HLUKSHLLURLFRJ-UHFFFAOYSA-N 0 3 324.371 3.058 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000106037748 432019611 /nfs/dbraw/zinc/01/96/11/432019611.db2.gz CKFOSJQAHIFZOB-QZTJIDSGSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000106034894 432019687 /nfs/dbraw/zinc/01/96/87/432019687.db2.gz BSNAIKFXTFWNHI-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(C)cc2C)CC1 ZINC000106037797 432020141 /nfs/dbraw/zinc/02/01/41/432020141.db2.gz FTEJNIJLUOUPCK-UHFFFAOYSA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2Cl)CC1 ZINC000106039272 432020817 /nfs/dbraw/zinc/02/08/17/432020817.db2.gz CSOOEXUSSHUSKC-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccco2)CC1 ZINC000106275736 432020869 /nfs/dbraw/zinc/02/08/69/432020869.db2.gz SANQLPNUKBJLLE-AWEZNQCLSA-N 0 3 305.422 3.023 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000106327800 432020895 /nfs/dbraw/zinc/02/08/95/432020895.db2.gz YYOSKSGRFPMDTO-BFYDXBDKSA-N 0 3 307.482 3.151 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000106884924 432023989 /nfs/dbraw/zinc/02/39/89/432023989.db2.gz WAJFHNCXLAOGTC-KRWDZBQOSA-N 0 3 310.357 3.181 20 30 DGEDHN COc1ccc([C@H](CNc2ccnc(C#N)c2)N2CCCC2)cc1 ZINC000287185882 219366689 /nfs/dbraw/zinc/36/66/89/219366689.db2.gz ZTJFWDOMHPUTCX-IBGZPJMESA-N 0 3 322.412 3.211 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000172291592 198072023 /nfs/dbraw/zinc/07/20/23/198072023.db2.gz FFVSTOAHKYHCEX-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000172542847 198112402 /nfs/dbraw/zinc/11/24/02/198112402.db2.gz WSJVCDBFROIIOX-IBGZPJMESA-N 0 3 314.473 3.268 20 30 DGEDHN C[C@@H](CCC#N)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496069047 295845162 /nfs/dbraw/zinc/84/51/62/295845162.db2.gz RZVRNRDPVGAGOE-AWEZNQCLSA-N 0 3 307.438 3.012 20 30 DGEDHN COCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000107314425 432029950 /nfs/dbraw/zinc/02/99/50/432029950.db2.gz LUSZMHKCQCGDLB-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN C=CCCC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000092504653 334974949 /nfs/dbraw/zinc/97/49/49/334974949.db2.gz KLSICZCZIWUHRH-UHFFFAOYSA-N 0 3 301.434 3.113 20 30 DGEDHN COc1ccc(CNCCc2csc(C(C)C)n2)cc1C#N ZINC000174336273 198320654 /nfs/dbraw/zinc/32/06/54/198320654.db2.gz CQVNCHBTXKNFFW-UHFFFAOYSA-N 0 3 315.442 3.479 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000067574794 432033233 /nfs/dbraw/zinc/03/32/33/432033233.db2.gz UMLMUUQQFPDPPU-UHFFFAOYSA-N 0 3 324.428 3.249 20 30 DGEDHN COc1ccccc1OC[C@H](C)CNCc1cc(C#N)cs1 ZINC000131450517 432038348 /nfs/dbraw/zinc/03/83/48/432038348.db2.gz MRUMPBBMWQRMNT-CYBMUJFWSA-N 0 3 316.426 3.433 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)CC1CCCCC1)OCC ZINC001625690296 1194064382 /nfs/dbraw/zinc/06/43/82/1194064382.db2.gz MGEQPUAWDAQWDX-GOSISDBHSA-N 0 3 324.509 3.328 20 30 DGEDHN CC(C)(C)CCN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000165906236 432057920 /nfs/dbraw/zinc/05/79/20/432057920.db2.gz ODGPMJUALRGFFA-UHFFFAOYSA-N 0 3 316.405 3.025 20 30 DGEDHN N#Cc1nc(N2CC[C@@H](N3CCCCC3)C2)ccc1C(F)(F)F ZINC000443505518 283250010 /nfs/dbraw/zinc/25/00/10/283250010.db2.gz ZQPIQXSLKWYARM-GFCCVEGCSA-N 0 3 324.350 3.037 20 30 DGEDHN N#Cc1nc(N2CC[C@H](N3CCCCC3)C2)ccc1C(F)(F)F ZINC000443505519 283250304 /nfs/dbraw/zinc/25/03/04/283250304.db2.gz ZQPIQXSLKWYARM-LBPRGKRZSA-N 0 3 324.350 3.037 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000133990030 432072157 /nfs/dbraw/zinc/07/21/57/432072157.db2.gz GLDCRVOIOLRLSQ-MOPGFXCFSA-N 0 3 319.408 3.423 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccccc2NCCCC)CC1 ZINC000179229256 199002405 /nfs/dbraw/zinc/00/24/05/199002405.db2.gz XUFVTSXDNNBMRM-UHFFFAOYSA-N 0 3 315.461 3.279 20 30 DGEDHN N#Cc1cccc(OCCCN(Cc2cccnc2)C2CC2)c1 ZINC000180746588 199203645 /nfs/dbraw/zinc/20/36/45/199203645.db2.gz JJPRCLSYDRVTCH-UHFFFAOYSA-N 0 3 307.397 3.387 20 30 DGEDHN Cc1nc(C[C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000187677399 200143371 /nfs/dbraw/zinc/14/33/71/200143371.db2.gz WTNJOIGGGDSGHP-XJKSGUPXSA-N 0 3 310.401 3.265 20 30 DGEDHN CN(CCOCC(F)(F)C(F)(F)F)Cc1cccc(C#N)c1 ZINC000188618983 200276291 /nfs/dbraw/zinc/27/62/91/200276291.db2.gz UTZGJRDARSGGRP-UHFFFAOYSA-N 0 3 322.277 3.204 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134868252 432087684 /nfs/dbraw/zinc/08/76/84/432087684.db2.gz UMBDTMHMOZEOST-BEFAXECRSA-N 0 3 313.420 3.146 20 30 DGEDHN Cc1cccc2c1CN(CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000429562738 238054903 /nfs/dbraw/zinc/05/49/03/238054903.db2.gz AMUGQOXBLOOSPR-UHFFFAOYSA-N 0 3 319.408 3.254 20 30 DGEDHN N#Cc1cccc(C#N)c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000430494558 238078286 /nfs/dbraw/zinc/07/82/86/238078286.db2.gz UPBGRXRZIRVCGT-GOSISDBHSA-N 0 3 302.381 3.116 20 30 DGEDHN CO[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433317459 238155592 /nfs/dbraw/zinc/15/55/92/238155592.db2.gz LENVQYWURJFRGU-OALUTQOASA-N 0 3 322.408 3.263 20 30 DGEDHN CO[C@]1(C)C[C@H](NC(=O)C(C#N)CCc2ccccc2)C1(C)C ZINC000433369397 238157274 /nfs/dbraw/zinc/15/72/74/238157274.db2.gz WOEGPRQFTVAIKA-TXPKVOOTSA-N 0 3 314.429 3.079 20 30 DGEDHN C[C@H](CCc1cccn1C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433367560 238157691 /nfs/dbraw/zinc/15/76/91/238157691.db2.gz VTWVNNDPYAXVSS-SJLPKXTDSA-N 0 3 323.440 3.235 20 30 DGEDHN CN(CCC(=O)N(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000134959282 432092111 /nfs/dbraw/zinc/09/21/11/432092111.db2.gz HMFWFTWUOHREEV-UHFFFAOYSA-N 0 3 307.397 3.043 20 30 DGEDHN C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000271972374 209351001 /nfs/dbraw/zinc/35/10/01/209351001.db2.gz UQVRDCKRIGLVSC-SJKOYZFVSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271957491 209340402 /nfs/dbraw/zinc/34/04/02/209340402.db2.gz QHWFXSIUQMCXEW-BBRMVZONSA-N 0 3 318.392 3.424 20 30 DGEDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2cccc(C#N)c2)on1 ZINC000434658155 238224818 /nfs/dbraw/zinc/22/48/18/238224818.db2.gz AJYOFQYOHPOJBF-MRXNPFEDSA-N 0 3 324.384 3.020 20 30 DGEDHN C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271922956 209326924 /nfs/dbraw/zinc/32/69/24/209326924.db2.gz IIDGFKIGEQTXIB-WBMJQRKESA-N 0 3 301.365 3.244 20 30 DGEDHN C[C@H](NC[C@](C)(O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271920721 209325046 /nfs/dbraw/zinc/32/50/46/209325046.db2.gz DTDCBISOGPBUPC-ZBEGNZNMSA-N 0 3 304.390 3.317 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cc2ccc(C#N)s2)C1 ZINC000281395493 216270696 /nfs/dbraw/zinc/27/06/96/216270696.db2.gz XCZFLEPDZWGXEO-YYQUZTFQSA-N 0 3 304.459 3.381 20 30 DGEDHN Cc1oc(NC(=O)CN(CC2CCC2)C(C)C)c(C#N)c1C ZINC000193215914 201008862 /nfs/dbraw/zinc/00/88/62/201008862.db2.gz VBRVQVQCRJEXIE-UHFFFAOYSA-N 0 3 303.406 3.217 20 30 DGEDHN CCO[C@H](CNCc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000194461129 201231044 /nfs/dbraw/zinc/23/10/44/201231044.db2.gz ORCHUNZMJHEAQW-LJQANCHMSA-N 0 3 310.397 3.434 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(OCc3ccccc3)c2)C1 ZINC000442714194 239116180 /nfs/dbraw/zinc/11/61/80/239116180.db2.gz XVSJMFZJBCXRJY-AEFFLSMTSA-N 0 3 307.397 3.442 20 30 DGEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(Br)cc2)C1 ZINC000442858362 239139196 /nfs/dbraw/zinc/13/91/96/239139196.db2.gz HMSSBTNNWPVNNT-AAEUAGOBSA-N 0 3 309.207 3.110 20 30 DGEDHN N#C[C@@H]1CC[C@@H](Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000442852697 239137269 /nfs/dbraw/zinc/13/72/69/239137269.db2.gz HTVGAJHGDFZDIV-SJLPKXTDSA-N 0 3 315.486 3.382 20 30 DGEDHN Cc1cc(CNCc2ccc(N3CCCC3)nc2)ccc1C#N ZINC000443986749 239245613 /nfs/dbraw/zinc/24/56/13/239245613.db2.gz LWRSLMXAXLPITD-UHFFFAOYSA-N 0 3 306.413 3.152 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000271834937 209254208 /nfs/dbraw/zinc/25/42/08/209254208.db2.gz FUGPJAWPBOTWQH-USXIJHARSA-N 0 3 300.377 3.135 20 30 DGEDHN Cn1cc(CNCCOc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000449406315 240182224 /nfs/dbraw/zinc/18/22/24/240182224.db2.gz WVNUQADODUXFTM-UHFFFAOYSA-N 0 3 324.211 3.372 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccccc2)nc1C(C)C ZINC000449521594 240263073 /nfs/dbraw/zinc/26/30/73/240263073.db2.gz SMJWUYGLAYXFIP-MSOLQXFVSA-N 0 3 311.429 3.429 20 30 DGEDHN COC(=O)[C@](C)(CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000189943821 432105416 /nfs/dbraw/zinc/10/54/16/432105416.db2.gz ZBYKMMLRHLFPTF-MGPUTAFESA-N 0 3 322.408 3.340 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H](OC)C2CC2)cc1OC ZINC000449627077 240328659 /nfs/dbraw/zinc/32/86/59/240328659.db2.gz FWYABXYKSLIZDJ-SCLBCKFNSA-N 0 3 305.418 3.163 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(C)c(Br)s1 ZINC000449694235 240373839 /nfs/dbraw/zinc/37/38/39/240373839.db2.gz AYDSQPRXECEBJN-SNVBAGLBSA-N 0 3 304.253 3.236 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000451620294 241190488 /nfs/dbraw/zinc/19/04/88/241190488.db2.gz NOJVHNJPKPVARM-AEFFLSMTSA-N 0 3 314.404 3.478 20 30 DGEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H]2CCC23CCCC3)c(C#N)c1C ZINC000451459491 241130770 /nfs/dbraw/zinc/13/07/70/241130770.db2.gz QLKYHJZKPKAYJM-DOMZBBRYSA-N 0 3 315.417 3.408 20 30 DGEDHN OCCC[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000452114941 241319951 /nfs/dbraw/zinc/31/99/51/241319951.db2.gz BAPRLYZHFPAOEI-HNNXBMFYSA-N 0 3 311.347 3.151 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@@]2(CCSC2)C1 ZINC000451957803 241282598 /nfs/dbraw/zinc/28/25/98/241282598.db2.gz GHYZKKVGPPTFBO-QGZVFWFLSA-N 0 3 302.443 3.156 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000268611421 432109700 /nfs/dbraw/zinc/10/97/00/432109700.db2.gz ZOAZUFNBUSFDTH-CVEARBPZSA-N 0 3 305.418 3.168 20 30 DGEDHN C=CCC1(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CCCCC1 ZINC000452167990 241337647 /nfs/dbraw/zinc/33/76/47/241337647.db2.gz XJDWDZLBUOKLGP-INIZCTEOSA-N 0 3 304.478 3.456 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000456011696 242328810 /nfs/dbraw/zinc/32/88/10/242328810.db2.gz VFLBVBQMCIGXAD-DZGCQCFKSA-N 0 3 314.433 3.109 20 30 DGEDHN Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1OCCN(C)C ZINC000458239194 243001131 /nfs/dbraw/zinc/00/11/31/243001131.db2.gz YUHPRMKCVPAHRQ-UHFFFAOYSA-N 0 3 323.396 3.059 20 30 DGEDHN C=CCC1(NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000458560016 243089947 /nfs/dbraw/zinc/08/99/47/243089947.db2.gz QICWIFGYSSOSII-HOCLYGCPSA-N 0 3 305.466 3.047 20 30 DGEDHN C=C(C)CCNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000458990488 243220063 /nfs/dbraw/zinc/22/00/63/243220063.db2.gz BSBYJRBWHSJQRR-UHFFFAOYSA-N 0 3 317.477 3.159 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1Br)C1CCOCC1 ZINC000181230520 432117720 /nfs/dbraw/zinc/11/77/20/432117720.db2.gz QJHCUCBLKYOEIG-LLVKDONJSA-N 0 3 323.234 3.225 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H](C(C)C)C1(CO)CCCC1 ZINC000459549193 243408900 /nfs/dbraw/zinc/40/89/00/243408900.db2.gz YUPIUHBAVVCMFX-GOSISDBHSA-N 0 3 316.445 3.234 20 30 DGEDHN CCc1nnc(NC[C@H](C)N2CCCC[C@H]2C)c(C#N)c1CC ZINC000467737420 244005428 /nfs/dbraw/zinc/00/54/28/244005428.db2.gz KEMCVSPQXTZNCR-KGLIPLIRSA-N 0 3 315.465 3.148 20 30 DGEDHN Cn1cc(CNCc2cccc(C#N)c2)c(-c2ccccc2)n1 ZINC000093056015 193199741 /nfs/dbraw/zinc/19/97/41/193199741.db2.gz VCBDAWBGASASAD-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN CC(C#N)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000470739257 244186069 /nfs/dbraw/zinc/18/60/69/244186069.db2.gz ZUQWGXPCYDFUFF-UWVGGRQHSA-N 0 3 315.200 3.379 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000472231159 244291553 /nfs/dbraw/zinc/29/15/53/244291553.db2.gz RBLKCWAWZAJWOA-LZLYRXPVSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000472854802 244317203 /nfs/dbraw/zinc/31/72/03/244317203.db2.gz UKARAUNBRDHZTM-UHFFFAOYSA-N 0 3 315.461 3.260 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)c2ccc(C#N)c(C)n2)c1 ZINC000488125035 245149676 /nfs/dbraw/zinc/14/96/76/245149676.db2.gz KSLSBVBFOCTDQZ-UHFFFAOYSA-N 0 3 308.429 3.138 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C(C)C)C1CC1)C(C)C ZINC000489279350 245288581 /nfs/dbraw/zinc/28/85/81/245288581.db2.gz QRYKMCGPTJWZLY-QGZVFWFLSA-N 0 3 307.482 3.267 20 30 DGEDHN COCCN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCO[C@@H]1C ZINC000489434401 245307265 /nfs/dbraw/zinc/30/72/65/245307265.db2.gz SJFHQRIMNPXUPO-CRAIPNDOSA-N 0 3 316.445 3.114 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](C)COCC(F)(F)F)cc1 ZINC000264987477 204325434 /nfs/dbraw/zinc/32/54/34/204325434.db2.gz WITGVDWFGAESKY-ZDUSSCGKSA-N 0 3 315.335 3.146 20 30 DGEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000181394251 432125952 /nfs/dbraw/zinc/12/59/52/432125952.db2.gz ULZJOPFRJLVEAO-MRXNPFEDSA-N 0 3 320.440 3.268 20 30 DGEDHN COc1ccc(F)cc1[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000271696190 209133375 /nfs/dbraw/zinc/13/33/75/209133375.db2.gz SKNMYEHWSWHJMO-SJCJKPOMSA-N 0 3 314.360 3.090 20 30 DGEDHN C#CCCOc1ccc(CNCc2sc(C)nc2C)cc1 ZINC000266134937 205125533 /nfs/dbraw/zinc/12/55/33/205125533.db2.gz FJFKOLMXLCBELC-UHFFFAOYSA-N 0 3 300.427 3.452 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266395297 205315343 /nfs/dbraw/zinc/31/53/43/205315343.db2.gz ORNDCNZEPOSSOR-UHFFFAOYSA-N 0 3 305.378 3.056 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)nc1 ZINC000267348992 206002823 /nfs/dbraw/zinc/00/28/23/206002823.db2.gz FZADXYFLCGCGMY-DNVCBOLYSA-N 0 3 306.413 3.276 20 30 DGEDHN COc1ccccc1[C@@H](CNc1ccc(C#N)nc1)N1CCCC1 ZINC000267351662 206005333 /nfs/dbraw/zinc/00/53/33/206005333.db2.gz GLJAHYYRXPHGPR-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@](CC)(CO)C2)cc(OC)c1O ZINC000190218405 432133724 /nfs/dbraw/zinc/13/37/24/432133724.db2.gz FJUPSOASUVOLKP-LJQANCHMSA-N 0 3 319.445 3.114 20 30 DGEDHN C=CCCCC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000267359606 206011298 /nfs/dbraw/zinc/01/12/98/206011298.db2.gz WFNKOSJWVMEQMC-SFHVURJKSA-N 0 3 315.461 3.251 20 30 DGEDHN N#Cc1ccccc1N1CCCN(C/C=C/c2ccncc2)CC1 ZINC000494930777 246211577 /nfs/dbraw/zinc/21/15/77/246211577.db2.gz MNDQUTGBWXADMP-HWKANZROSA-N 0 3 318.424 3.179 20 30 DGEDHN N#Cc1ccccc1N1CCCN(C/C=C\c2ccncc2)CC1 ZINC000494930778 246212420 /nfs/dbraw/zinc/21/24/20/246212420.db2.gz MNDQUTGBWXADMP-HYXAFXHYSA-N 0 3 318.424 3.179 20 30 DGEDHN N#CCCCCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000495898132 246323624 /nfs/dbraw/zinc/32/36/24/246323624.db2.gz NECQMSGDMDORHU-MRXNPFEDSA-N 0 3 307.438 3.204 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(F)cc1F)C(C)C ZINC000495967646 246333223 /nfs/dbraw/zinc/33/32/23/246333223.db2.gz WEICTZVURVBCEX-KRWDZBQOSA-N 0 3 322.399 3.393 20 30 DGEDHN N#Cc1cccc(CNCc2cccc(OCC(F)F)c2)c1 ZINC000105483515 194106216 /nfs/dbraw/zinc/10/62/16/194106216.db2.gz CAABXOVWMMMJOI-UHFFFAOYSA-N 0 3 302.324 3.492 20 30 DGEDHN C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271920720 209324608 /nfs/dbraw/zinc/32/46/08/209324608.db2.gz DTDCBISOGPBUPC-MEDUHNTESA-N 0 3 304.390 3.317 20 30 DGEDHN CN(CCC(=O)Nc1ccccc1C#N)Cc1cccc(F)c1 ZINC000045697449 269686663 /nfs/dbraw/zinc/68/66/63/269686663.db2.gz HAFDTAZQLSTQCZ-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ncccc1[N+](=O)[O-])C(C)C ZINC000058648569 184125966 /nfs/dbraw/zinc/12/59/66/184125966.db2.gz XOIZOWSJDGKVSP-HNNXBMFYSA-N 0 3 304.394 3.100 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC2(CCCCC2)CC1 ZINC000102410695 284993243 /nfs/dbraw/zinc/99/32/43/284993243.db2.gz GKNYHABLHFZLPK-INIZCTEOSA-N 0 3 305.466 3.041 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000270085488 208144127 /nfs/dbraw/zinc/14/41/27/208144127.db2.gz BKSXJASNOFHYEV-UHFFFAOYSA-N 0 3 320.396 3.214 20 30 DGEDHN COc1cc(CN[C@H]2CCCC[C@@H]2OC(F)F)ccc1C#N ZINC000337274954 253076155 /nfs/dbraw/zinc/07/61/55/253076155.db2.gz DMSQGTFMXRILAA-KBPBESRZSA-N 0 3 310.344 3.207 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000337981398 253203795 /nfs/dbraw/zinc/20/37/95/253203795.db2.gz PALBMZDEAVXRPR-UHFFFAOYSA-N 0 3 323.396 3.059 20 30 DGEDHN Cc1c(Cl)cnc(N(CCN(C)C)Cc2ccco2)c1C#N ZINC000272981289 210363217 /nfs/dbraw/zinc/36/32/17/210363217.db2.gz AXJDVKBTRDIOOC-UHFFFAOYSA-N 0 3 318.808 3.076 20 30 DGEDHN CC(C)Oc1ccc([C@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000288661436 220329623 /nfs/dbraw/zinc/32/96/23/220329623.db2.gz YTLUQEQFCGBWJU-IBGZPJMESA-N 0 3 324.428 3.455 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](C)c1cccc2ccccc21 ZINC000272878368 210268955 /nfs/dbraw/zinc/26/89/55/210268955.db2.gz QBZXPDPLLKLGMO-CQSZACIVSA-N 0 3 303.427 3.091 20 30 DGEDHN CC(C#N)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000337499491 533108096 /nfs/dbraw/zinc/10/80/96/533108096.db2.gz ZUUCWLVTAXJTCB-QMMMGPOBSA-N 0 3 313.220 3.161 20 30 DGEDHN CC(C#N)C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000358938852 533114588 /nfs/dbraw/zinc/11/45/88/533114588.db2.gz YUUODXOMUJTION-XHDPSFHLSA-N 0 3 306.793 3.084 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000341553148 533115802 /nfs/dbraw/zinc/11/58/02/533115802.db2.gz FTLXGALZVOKJBB-TVQRCGJNSA-N 0 3 312.291 3.312 20 30 DGEDHN CC(C)[C@@H](CNCc1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000343106869 254100585 /nfs/dbraw/zinc/10/05/85/254100585.db2.gz ZUDCAFXYAKJKCJ-HXUWFJFHSA-N 0 3 323.440 3.324 20 30 DGEDHN N#Cc1ccc(CNCc2ccccc2Cn2ccnc2)s1 ZINC000343158975 254108705 /nfs/dbraw/zinc/10/87/05/254108705.db2.gz MPXBUXYCECHMCG-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN C[C@H]1CN(C)CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000343820180 254192341 /nfs/dbraw/zinc/19/23/41/254192341.db2.gz VPXRBCTZTJUKBG-INIZCTEOSA-N 0 3 305.425 3.361 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](C4CC4)C3)C2=O)cc1 ZINC000344084634 254222926 /nfs/dbraw/zinc/22/29/26/254222926.db2.gz GKBJYTWNJJBONK-HKUYNNGSSA-N 0 3 323.440 3.176 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)CCN(C)c1ccccc1 ZINC000344115421 254227429 /nfs/dbraw/zinc/22/74/29/254227429.db2.gz NMMJTHCAPOYATP-UHFFFAOYSA-N 0 3 323.440 3.143 20 30 DGEDHN CC1CCC(N2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000344359543 254261815 /nfs/dbraw/zinc/26/18/15/254261815.db2.gz XZECHOXIJRBHGR-UHFFFAOYSA-N 0 3 315.436 3.394 20 30 DGEDHN Cc1ccc(N2CCC(NCc3ccc(C#N)cc3F)CC2)nc1 ZINC000344515082 254278694 /nfs/dbraw/zinc/27/86/94/254278694.db2.gz DJIVIPBEDMXUEF-UHFFFAOYSA-N 0 3 324.403 3.159 20 30 DGEDHN CC(C(=O)Nc1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000344591425 254286024 /nfs/dbraw/zinc/28/60/24/254286024.db2.gz YHOWOWFJHBUTJS-ZCFIWIBFSA-N 0 3 321.096 3.458 20 30 DGEDHN N#Cc1ccc(CNCC[C@H]2COc3ccccc3O2)c(F)c1 ZINC000345011660 254323241 /nfs/dbraw/zinc/32/32/41/254323241.db2.gz BBXIDEMNMHKXLG-HNNXBMFYSA-N 0 3 312.344 3.017 20 30 DGEDHN CCC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000271646595 209091442 /nfs/dbraw/zinc/09/14/42/209091442.db2.gz IIENSQLOUNXHJQ-LJQANCHMSA-N 0 3 321.424 3.305 20 30 DGEDHN OC[C@@]1(Cc2ccccc2)CCCN1CC#Cc1ccc(F)cc1 ZINC000475646969 285283393 /nfs/dbraw/zinc/28/33/93/285283393.db2.gz GIOBHBFIKCHECJ-NRFANRHFSA-N 0 3 323.411 3.247 20 30 DGEDHN O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000451429442 285317623 /nfs/dbraw/zinc/31/76/23/285317623.db2.gz XIFJTISJNVEKGR-FGTMMUONSA-N 0 3 303.833 3.317 20 30 DGEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@H]2C1 ZINC000451694294 285324487 /nfs/dbraw/zinc/32/44/87/285324487.db2.gz KTBXSCRPZLBEON-LZLYRXPVSA-N 0 3 303.833 3.174 20 30 DGEDHN C[C@@]1(CNCc2ccc(C#N)s2)OCCc2sccc21 ZINC000289983124 221360521 /nfs/dbraw/zinc/36/05/21/221360521.db2.gz ZVOJWIGOLPVSEB-HNNXBMFYSA-N 0 3 304.440 3.259 20 30 DGEDHN C[C@H](NCCN(C)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000125704639 195777821 /nfs/dbraw/zinc/77/78/21/195777821.db2.gz IGYZKCAWLGKNDW-HNNXBMFYSA-N 0 3 311.404 3.480 20 30 DGEDHN C#C[C@@H](N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(C)C ZINC000491737521 533269020 /nfs/dbraw/zinc/26/90/20/533269020.db2.gz QMXQFUXLXOSMDJ-GXTWGEPZSA-N 0 3 322.836 3.313 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000351327454 533512280 /nfs/dbraw/zinc/51/22/80/533512280.db2.gz LMCBGKLKJYWIQO-ZDUSSCGKSA-N 0 3 311.389 3.003 20 30 DGEDHN COc1ccc(O)c(/C=N/[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000005291518 400087781 /nfs/dbraw/zinc/08/77/81/400087781.db2.gz KZSSJCASPDRBFS-RONKMWSCSA-N 0 3 310.397 3.094 20 30 DGEDHN C[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)(C)C1 ZINC000584760406 400099266 /nfs/dbraw/zinc/09/92/66/400099266.db2.gz ORXBWTIBGCKFSY-PBHICJAKSA-N 0 3 311.429 3.174 20 30 DGEDHN COCCN(CCc1ccc(C#N)cc1)Cc1cccs1 ZINC000595288491 400116871 /nfs/dbraw/zinc/11/68/71/400116871.db2.gz MNCMWWZRHMJFJB-UHFFFAOYSA-N 0 3 300.427 3.311 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](c2ccco2)C1 ZINC000609539781 400174615 /nfs/dbraw/zinc/17/46/15/400174615.db2.gz COXKFNOCMJGEIR-CYBMUJFWSA-N 0 3 315.398 3.031 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CCCCC2)C1 ZINC000609541342 400174630 /nfs/dbraw/zinc/17/46/30/400174630.db2.gz HXMVUTBRWUOQJJ-WMZOPIPTSA-N 0 3 319.493 3.476 20 30 DGEDHN C[C@H](CN1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000609739012 400188655 /nfs/dbraw/zinc/18/86/55/400188655.db2.gz MBCXLAMOIPFTTN-QGZVFWFLSA-N 0 3 305.425 3.484 20 30 DGEDHN COc1ccc(C(C)(C)CNC[C@@H](C#N)CCC#N)cc1OC ZINC000609574675 400177142 /nfs/dbraw/zinc/17/71/42/400177142.db2.gz STJVUFWABZGMKD-CQSZACIVSA-N 0 3 315.417 3.015 20 30 DGEDHN N#Cc1ccc(CN(C2CC2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000595534269 400178983 /nfs/dbraw/zinc/17/89/83/400178983.db2.gz RRYLWUFTEAUHHP-UHFFFAOYSA-N 0 3 324.346 3.456 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1n[nH]c2ccccc12 ZINC000608982627 400135378 /nfs/dbraw/zinc/13/53/78/400135378.db2.gz XWQXBGPVLILYHM-UHFFFAOYSA-N 0 3 322.437 3.458 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1[nH]nc2ccccc21 ZINC000608982627 400135386 /nfs/dbraw/zinc/13/53/86/400135386.db2.gz XWQXBGPVLILYHM-UHFFFAOYSA-N 0 3 322.437 3.458 20 30 DGEDHN CC(C)[C@H](C#N)N1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000595398461 400141300 /nfs/dbraw/zinc/14/13/00/400141300.db2.gz PTDKMRWJNHLECP-ICSRJNTNSA-N 0 3 311.473 3.272 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595436117 400149677 /nfs/dbraw/zinc/14/96/77/400149677.db2.gz AXSDFAMNBVFLNB-QGZVFWFLSA-N 0 3 314.429 3.154 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000067205622 400152342 /nfs/dbraw/zinc/15/23/42/400152342.db2.gz JGIXECITWQWNLN-GOSISDBHSA-N 0 3 312.457 3.235 20 30 DGEDHN Cc1cnccc1OC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595459884 400157477 /nfs/dbraw/zinc/15/74/77/400157477.db2.gz APOZBTQTCHIHPU-UHFFFAOYSA-N 0 3 321.424 3.348 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000320214238 400163782 /nfs/dbraw/zinc/16/37/82/400163782.db2.gz YESJAYORSMHDJF-QZTJIDSGSA-N 0 3 310.397 3.039 20 30 DGEDHN COC(=O)C[C@](C)(NCCCCC(C)(C)C#N)c1ccncc1 ZINC000595486900 400165641 /nfs/dbraw/zinc/16/56/41/400165641.db2.gz PYSMJQHNILEPQE-SFHVURJKSA-N 0 3 317.433 3.170 20 30 DGEDHN CC1(C)C[C@H](N2CCC(Oc3ccc(C#N)cc3F)CC2)CO1 ZINC000595485204 400165780 /nfs/dbraw/zinc/16/57/80/400165780.db2.gz WMKDOZFFPHVPGR-AWEZNQCLSA-N 0 3 318.392 3.108 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](CC(C)C)c2ccccc2C)C1=O ZINC000337180394 400188193 /nfs/dbraw/zinc/18/81/93/400188193.db2.gz LVVNQIRQPWGZFN-QZTJIDSGSA-N 0 3 300.446 3.459 20 30 DGEDHN C[C@@H](NC(=O)CCCCCC#N)[C@H](c1ccccc1)N(C)C ZINC000588683573 400222242 /nfs/dbraw/zinc/22/22/42/400222242.db2.gz XRJXPAVLQAGLMD-CRAIPNDOSA-N 0 3 301.434 3.268 20 30 DGEDHN CC#CCN1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000610212573 400223436 /nfs/dbraw/zinc/22/34/36/400223436.db2.gz OTVUCWHSTRFHTQ-IBGZPJMESA-N 0 3 313.441 3.459 20 30 DGEDHN C[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)c1cccc(C#N)c1 ZINC000610344840 400244594 /nfs/dbraw/zinc/24/45/94/400244594.db2.gz IXSFVXRBUWIEGB-CQSZACIVSA-N 0 3 319.408 3.301 20 30 DGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1COCCO1 ZINC000595735431 400246082 /nfs/dbraw/zinc/24/60/82/400246082.db2.gz IHONNYSRYRPVOQ-LJQANCHMSA-N 0 3 322.408 3.072 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1F ZINC000595747871 400248545 /nfs/dbraw/zinc/24/85/45/400248545.db2.gz NRLRZINLEAWKDG-RBUKOAKNSA-N 0 3 324.399 3.295 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1snc(Cl)c1C#N ZINC000092681683 400194632 /nfs/dbraw/zinc/19/46/32/400194632.db2.gz CRHMWVXZVRCUME-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1[nH]nc(C)c1C(=O)OCC ZINC000595603282 400199768 /nfs/dbraw/zinc/19/97/68/400199768.db2.gz LVXQEXONSUMYFN-KGLIPLIRSA-N 0 3 305.422 3.119 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000609921800 400202359 /nfs/dbraw/zinc/20/23/59/400202359.db2.gz GCVKASGAFVRBRE-IFXJQAMLSA-N 0 3 320.392 3.377 20 30 DGEDHN CC(C#N)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000609920746 400202389 /nfs/dbraw/zinc/20/23/89/400202389.db2.gz GCVYKHZNIWBVIJ-GFCCVEGCSA-N 0 3 315.348 3.031 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000609921802 400202444 /nfs/dbraw/zinc/20/24/44/400202444.db2.gz GCVKASGAFVRBRE-LIRRHRJNSA-N 0 3 320.392 3.377 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(F)c1F)C(C)C ZINC000588231156 400202892 /nfs/dbraw/zinc/20/28/92/400202892.db2.gz VXEFHXWUXJYRFC-MRXNPFEDSA-N 0 3 322.399 3.393 20 30 DGEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000610002052 400206349 /nfs/dbraw/zinc/20/63/49/400206349.db2.gz YSOMWZNIQPJOQF-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(C)OC(=O)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595620683 400210383 /nfs/dbraw/zinc/21/03/83/400210383.db2.gz ORZXJFVBICBFGR-HNNXBMFYSA-N 0 3 300.402 3.377 20 30 DGEDHN CC(C)(NCCOc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000595637320 400213437 /nfs/dbraw/zinc/21/34/37/400213437.db2.gz XBNZTTSDKVCUCU-UHFFFAOYSA-N 0 3 305.381 3.334 20 30 DGEDHN COc1ccc([C@H](CNc2cnccc2C#N)N2CCCC2)cc1 ZINC000094131596 400267776 /nfs/dbraw/zinc/26/77/76/400267776.db2.gz XHMNPXAWHQUDGV-IBGZPJMESA-N 0 3 322.412 3.211 20 30 DGEDHN N#Cc1ccccc1OCCN1CC[C@@H](Oc2ccccc2)C1 ZINC000595833136 400274259 /nfs/dbraw/zinc/27/42/59/400274259.db2.gz SAGCLEGCVUXKII-GOSISDBHSA-N 0 3 308.381 3.090 20 30 DGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595856755 400282129 /nfs/dbraw/zinc/28/21/29/400282129.db2.gz DPQNAJRYLPYLSA-SFESLNEESA-N 0 3 308.385 3.371 20 30 DGEDHN C[C@@H]1[C@@H](C)N(CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000595886478 400287728 /nfs/dbraw/zinc/28/77/28/400287728.db2.gz OGHFXFGPXIOLIV-HZPDHXFCSA-N 0 3 304.482 3.261 20 30 DGEDHN N#Cc1nc(N2CCCC[C@H](N3CCCC3)C2)sc1Cl ZINC000596119367 400323369 /nfs/dbraw/zinc/32/33/69/400323369.db2.gz CXUXFQGASNVSJO-NSHDSACASA-N 0 3 310.854 3.123 20 30 DGEDHN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000595958767 400297013 /nfs/dbraw/zinc/29/70/13/400297013.db2.gz HYHUNALPYDLYII-IEBWSBKVSA-N 0 3 313.445 3.021 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000610728869 400297752 /nfs/dbraw/zinc/29/77/52/400297752.db2.gz RZKXTJVJRNNZSE-HXUWFJFHSA-N 0 3 323.415 3.404 20 30 DGEDHN N#Cc1cccc(OCCCN2CCc3ccc(O)cc3CC2)c1 ZINC000610787855 400306028 /nfs/dbraw/zinc/30/60/28/400306028.db2.gz ZUKCVXGIYBVGHX-UHFFFAOYSA-N 0 3 322.408 3.134 20 30 DGEDHN Cc1cc(NC[C@H](c2ccccc2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596056261 400306237 /nfs/dbraw/zinc/30/62/37/400306237.db2.gz OPSHOSDBIZTWGI-QGZVFWFLSA-N 0 3 324.384 3.490 20 30 DGEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000610877516 400319567 /nfs/dbraw/zinc/31/95/67/400319567.db2.gz JVEOCCRXTUQBHP-CYBMUJFWSA-N 0 3 320.824 3.208 20 30 DGEDHN N#Cc1ccc(OCCN2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000595784845 400258003 /nfs/dbraw/zinc/25/80/03/400258003.db2.gz BXARCHKEXVGVAA-LJQANCHMSA-N 0 3 314.429 3.218 20 30 DGEDHN C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000601934075 400378671 /nfs/dbraw/zinc/37/86/71/400378671.db2.gz AAJBNZWZHINEMX-LLVKDONJSA-N 0 3 308.307 3.124 20 30 DGEDHN C=CCN(CC=C)C(=O)CNC(C)(C)CCc1ccccc1 ZINC000590407622 400383883 /nfs/dbraw/zinc/38/38/83/400383883.db2.gz BAONVENIGDVSMU-UHFFFAOYSA-N 0 3 300.446 3.188 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000611386017 400388933 /nfs/dbraw/zinc/38/89/33/400388933.db2.gz ANACBTKOLPTFNC-CYBMUJFWSA-N 0 3 311.360 3.377 20 30 DGEDHN CCc1cccc(OC[C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611388595 400389807 /nfs/dbraw/zinc/38/98/07/400389807.db2.gz PUQPAIDFGUCSFJ-BEFAXECRSA-N 0 3 324.424 3.211 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611388318 400390115 /nfs/dbraw/zinc/39/01/15/400390115.db2.gz ZVPJKFJPDIHQLT-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN COc1ccc([C@H](CCC#N)NCCOCC2CCC2)cc1 ZINC000578410313 400328543 /nfs/dbraw/zinc/32/85/43/400328543.db2.gz KDTLRBNCYAPKDF-SFHVURJKSA-N 0 3 302.418 3.446 20 30 DGEDHN N#CCc1ccc(CN[C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000578532408 400329756 /nfs/dbraw/zinc/32/97/56/400329756.db2.gz MTEDSZGCPQPHDU-QGZVFWFLSA-N 0 3 305.381 3.316 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114834688 400391135 /nfs/dbraw/zinc/39/11/35/400391135.db2.gz MTWGOJSMIBLWTE-GOSISDBHSA-N 0 3 313.445 3.035 20 30 DGEDHN N#Cc1nc(N2CC[C@H]3[C@H](CCCN3C3CC3)C2)sc1Cl ZINC000596170570 400338943 /nfs/dbraw/zinc/33/89/43/400338943.db2.gz UXPBSZSFFXXCCR-MFKMUULPSA-N 0 3 322.865 3.121 20 30 DGEDHN N#Cc1ccc(NCC2(N3CCSCC3)CCCCC2)nc1 ZINC000069798454 400343491 /nfs/dbraw/zinc/34/34/91/400343491.db2.gz QMCSPBRQFZVUJC-UHFFFAOYSA-N 0 3 316.474 3.117 20 30 DGEDHN C=CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1CCCCC1 ZINC000069859998 400347505 /nfs/dbraw/zinc/34/75/05/400347505.db2.gz NCYBNCCYTLDYAS-GOSISDBHSA-N 0 3 305.466 3.109 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCC#N)c1ccc(-c2ccccc2)cc1 ZINC000581006100 400348995 /nfs/dbraw/zinc/34/89/95/400348995.db2.gz BZRHBRDSONJJSS-SFHVURJKSA-N 0 3 307.397 3.338 20 30 DGEDHN C[C@@H](C1CC1)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000031654336 400350423 /nfs/dbraw/zinc/35/04/23/400350423.db2.gz YAPYBRUYUJFKTH-NSHDSACASA-N 0 3 317.820 3.413 20 30 DGEDHN CCC(C)(C)N1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596296770 400373993 /nfs/dbraw/zinc/37/39/93/400373993.db2.gz AOCDWMQTRJSZAG-UHFFFAOYSA-N 0 3 316.405 3.086 20 30 DGEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)cc(C#N)c1[N+](=O)[O-] ZINC000596297588 400374340 /nfs/dbraw/zinc/37/43/40/400374340.db2.gz RKWZBGVDGQBDTA-HZPDHXFCSA-N 0 3 314.389 3.204 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1cccc(-n2cccn2)c1C#N ZINC000596307824 400375965 /nfs/dbraw/zinc/37/59/65/400375965.db2.gz FGOKXVIMRYZWBV-CQSZACIVSA-N 0 3 309.417 3.029 20 30 DGEDHN CC(C)c1ccc(C(C)(C)NCCC(=O)N(C)CCC#N)cc1 ZINC000611302745 400376665 /nfs/dbraw/zinc/37/66/65/400376665.db2.gz PRYCRDUKFPDMAZ-UHFFFAOYSA-N 0 3 315.461 3.397 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000596309336 400377168 /nfs/dbraw/zinc/37/71/68/400377168.db2.gz YXXWWMKFWQTSBO-NSHDSACASA-N 0 3 312.339 3.257 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H](OC)C(C)C)ccc1OC ZINC000072924634 400415093 /nfs/dbraw/zinc/41/50/93/400415093.db2.gz XFRXABLTUHLVPR-SFHVURJKSA-N 0 3 307.434 3.411 20 30 DGEDHN C[C@@H](NCCC(=O)N(C)c1ccccc1)c1cccc(C#N)c1 ZINC000611438203 400401022 /nfs/dbraw/zinc/40/10/22/400401022.db2.gz GVHNEQFFVZHKJX-OAHLLOKOSA-N 0 3 307.397 3.262 20 30 DGEDHN Cc1occc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000611438221 400401131 /nfs/dbraw/zinc/40/11/31/400401131.db2.gz LHDLUFXKNYSBOY-UHFFFAOYSA-N 0 3 309.413 3.214 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)[C@H](C)C1 ZINC000072871039 400411031 /nfs/dbraw/zinc/41/10/31/400411031.db2.gz QGSYJPXXJDHHRD-TUAOUCFPSA-N 0 3 305.809 3.126 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C1CC1)C(C)C ZINC000590855462 400448928 /nfs/dbraw/zinc/44/89/28/400448928.db2.gz YIBDVYFVXOKPQX-QZTJIDSGSA-N 0 3 319.493 3.269 20 30 DGEDHN CN1CCC(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 ZINC000073491399 400452909 /nfs/dbraw/zinc/45/29/09/400452909.db2.gz YZBCTAARUVGTHD-KRWDZBQOSA-N 0 3 313.445 3.007 20 30 DGEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1ccc2ccccc2c1 ZINC000602570501 400499500 /nfs/dbraw/zinc/49/95/00/400499500.db2.gz AWLSNKQOGBHQEQ-SFHVURJKSA-N 0 3 323.440 3.255 20 30 DGEDHN N#Cc1cccc(CNC2(CCOCc3ccccc3)CC2)n1 ZINC000602579942 400503041 /nfs/dbraw/zinc/50/30/41/400503041.db2.gz KLYAMHIPVNYQJP-UHFFFAOYSA-N 0 3 307.397 3.182 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc2cccnc21 ZINC000602585001 400505034 /nfs/dbraw/zinc/50/50/34/400505034.db2.gz ATTYENIGTVAPEJ-OAHLLOKOSA-N 0 3 309.413 3.423 20 30 DGEDHN CC(C)[C@H](NC[C@H](C)CCC#N)c1nc(-c2ccncc2)no1 ZINC000602595350 400507443 /nfs/dbraw/zinc/50/74/43/400507443.db2.gz YQXVYPSJACFXDS-HIFRSBDPSA-N 0 3 313.405 3.358 20 30 DGEDHN CC(C)[C@H](NC[C@@H](C)CCC#N)c1nc(-c2cccnc2)no1 ZINC000602594753 400507537 /nfs/dbraw/zinc/50/75/37/400507537.db2.gz SXXGHPFYKQBMKL-ZFWWWQNUSA-N 0 3 313.405 3.358 20 30 DGEDHN COc1cc2c(cc1OC)[C@H](N1CCC(CC#N)CC1)CC2 ZINC000602595836 400508829 /nfs/dbraw/zinc/50/88/29/400508829.db2.gz DLUVWSANVGSJEC-MRXNPFEDSA-N 0 3 300.402 3.317 20 30 DGEDHN C[C@@H](CCC#N)CN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000602602838 400509494 /nfs/dbraw/zinc/50/94/94/400509494.db2.gz CJNBLBQJQFTINQ-HNNXBMFYSA-N 0 3 312.413 3.487 20 30 DGEDHN C[C@@H]1CCN(Cc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000602485303 400476396 /nfs/dbraw/zinc/47/63/96/400476396.db2.gz XQSMDAWLVOJSFX-QGZVFWFLSA-N 0 3 320.440 3.050 20 30 DGEDHN Cc1ccc(OCCN[C@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602505284 400482362 /nfs/dbraw/zinc/48/23/62/400482362.db2.gz WVWBUGPCDZZFRG-QGZVFWFLSA-N 0 3 316.445 3.371 20 30 DGEDHN COCc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602506119 400482600 /nfs/dbraw/zinc/48/26/00/400482600.db2.gz HNIYXYWMXPCZRH-HNNXBMFYSA-N 0 3 302.418 3.022 20 30 DGEDHN N#Cc1cccc(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000602519837 400487008 /nfs/dbraw/zinc/48/70/08/400487008.db2.gz BOVKIMVFVDXGOJ-QFBILLFUSA-N 0 3 307.397 3.211 20 30 DGEDHN Cc1cc(C)cc(OCCN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602528590 400489607 /nfs/dbraw/zinc/48/96/07/400489607.db2.gz RVSSJFDZXQKXSI-QGZVFWFLSA-N 0 3 316.445 3.371 20 30 DGEDHN CC(C)(C#N)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000612585185 400570580 /nfs/dbraw/zinc/57/05/80/400570580.db2.gz QWJBJYKQCKQCGB-UHFFFAOYSA-N 0 3 305.853 3.444 20 30 DGEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCO2 ZINC000602800024 400576902 /nfs/dbraw/zinc/57/69/02/400576902.db2.gz IQYSAZHEPMPGJD-QGZVFWFLSA-N 0 3 300.402 3.438 20 30 DGEDHN Cc1csc(NC(=O)N[C@@H](C)CN2CCC(C)CC2)c1C#N ZINC000596904130 400521441 /nfs/dbraw/zinc/52/14/41/400521441.db2.gz NQVPQBUYACCNIP-ZDUSSCGKSA-N 0 3 320.462 3.170 20 30 DGEDHN C[C@H]1CN(c2ccccc2CN2CCC[C@H](CC#N)C2)CCO1 ZINC000597177614 400577924 /nfs/dbraw/zinc/57/79/24/400577924.db2.gz QKLYJNVJUMLYDY-DLBZAZTESA-N 0 3 313.445 3.037 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(C(=O)OCC)[nH]2)cc1 ZINC000602651135 400524884 /nfs/dbraw/zinc/52/48/84/400524884.db2.gz PMSGGEJEZSISKR-UHFFFAOYSA-N 0 3 314.385 3.046 20 30 DGEDHN C[C@H](CCC#N)CN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000602659440 400529020 /nfs/dbraw/zinc/52/90/20/400529020.db2.gz QBPMRGCYZXGKOH-HZPDHXFCSA-N 0 3 301.434 3.078 20 30 DGEDHN N#CC1(c2ccc(CN3CCC[C@H](n4ccnc4)C3)cc2)CC1 ZINC000596997227 400537569 /nfs/dbraw/zinc/53/75/69/400537569.db2.gz BBDGDGDTXAHDDQ-SFHVURJKSA-N 0 3 306.413 3.275 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(CN(C)C)cc1F ZINC000602689385 400539758 /nfs/dbraw/zinc/53/97/58/400539758.db2.gz GONSGOKYGMTGIV-AWEZNQCLSA-N 0 3 319.424 3.398 20 30 DGEDHN COc1ccc(CN[C@H](C)CSC)cc1OCCCC#N ZINC000130731593 400542252 /nfs/dbraw/zinc/54/22/52/400542252.db2.gz VPVQJGZJIRAAOM-CYBMUJFWSA-N 0 3 308.447 3.219 20 30 DGEDHN CCOC(=O)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000602698790 400544078 /nfs/dbraw/zinc/54/40/78/400544078.db2.gz YUGMFKOTGLUAAJ-QGZVFWFLSA-N 0 3 323.396 3.230 20 30 DGEDHN COc1cc2c(cc1OC)[C@H](N1CCC[C@@H](CC#N)C1)CC2 ZINC000602710768 400548458 /nfs/dbraw/zinc/54/84/58/400548458.db2.gz XFWJXRXTQRQMQL-XJKSGUPXSA-N 0 3 300.402 3.317 20 30 DGEDHN N#Cc1cc(S[C@@H]2CCCN(Cc3ccccc3)C2)ncn1 ZINC000591827528 400563622 /nfs/dbraw/zinc/56/36/22/400563622.db2.gz VUDAFKMNYMQGTI-MRXNPFEDSA-N 0 3 310.426 3.105 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000602990881 400623179 /nfs/dbraw/zinc/62/31/79/400623179.db2.gz ITQOSAZRMUVLLA-RKVPGOIHSA-N 0 3 301.434 3.089 20 30 DGEDHN CCCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(C)C1 ZINC000592212492 400625314 /nfs/dbraw/zinc/62/53/14/400625314.db2.gz BBICATKMZAXDFG-AWEZNQCLSA-N 0 3 320.824 3.160 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000134898059 400582414 /nfs/dbraw/zinc/58/24/14/400582414.db2.gz VGFCNRXRSUVCEG-APHBMKBZSA-N 0 3 318.392 3.155 20 30 DGEDHN COc1ccc(CN2CCCN(c3ccccc3)CC2)cc1C#N ZINC000134998612 400582553 /nfs/dbraw/zinc/58/25/53/400582553.db2.gz YHXYZYTXDFYMLD-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN COc1ccc(CN(C)CCOc2ccccc2F)cc1C#N ZINC000134962698 400582736 /nfs/dbraw/zinc/58/27/36/400582736.db2.gz FZYANDMNJAASFT-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN N#Cc1cnn2cc(CN3CC[C@@H](C4CCCCC4)C3)cnc12 ZINC000597203500 400587323 /nfs/dbraw/zinc/58/73/23/400587323.db2.gz RZODQGVRVVSNFJ-MRXNPFEDSA-N 0 3 309.417 3.003 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC1)C(C)C ZINC000612728663 400592557 /nfs/dbraw/zinc/59/25/57/400592557.db2.gz HANFRUVKBJCFDB-RDJZCZTQSA-N 0 3 307.482 3.125 20 30 DGEDHN CC[C@](C)(NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000602925034 400608939 /nfs/dbraw/zinc/60/89/39/400608939.db2.gz GLGBLTHOENXLOV-ROUUACIJSA-N 0 3 319.424 3.095 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C#N)CCCCC1)C(C)C ZINC000076483508 400657895 /nfs/dbraw/zinc/65/78/95/400657895.db2.gz ZGHQCMJYWKBPBO-KRWDZBQOSA-N 0 3 317.477 3.275 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000597616118 400652890 /nfs/dbraw/zinc/65/28/90/400652890.db2.gz HMJQWRALRODBCA-WDSOQIARSA-N 0 3 319.408 3.074 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cn(C)c3ccccc23)nc(C)n1 ZINC000049405193 400668152 /nfs/dbraw/zinc/66/81/52/400668152.db2.gz RFSWQNRPMVXNND-AWEZNQCLSA-N 0 3 304.353 3.075 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152834046 400684223 /nfs/dbraw/zinc/68/42/23/400684223.db2.gz HGKUZCCAUZAGFV-MRVWCRGKSA-N 0 3 317.820 3.271 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1cccnc1[N+](=O)[O-])C(C)C ZINC000603845652 400723217 /nfs/dbraw/zinc/72/32/17/400723217.db2.gz FHJKSHKYBVEOJN-HNNXBMFYSA-N 0 3 304.394 3.100 20 30 DGEDHN C[C@H](NC[C@@H]1CCC(=O)N1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000593022766 400737505 /nfs/dbraw/zinc/73/75/05/400737505.db2.gz KBFWRTFLBQADMV-LIRRHRJNSA-N 0 3 319.408 3.154 20 30 DGEDHN COC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618831335 400694718 /nfs/dbraw/zinc/69/47/18/400694718.db2.gz LFHVCXSIWTTYDD-GOSISDBHSA-N 0 3 306.365 3.122 20 30 DGEDHN COC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618831336 400694842 /nfs/dbraw/zinc/69/48/42/400694842.db2.gz LFHVCXSIWTTYDD-SFHVURJKSA-N 0 3 306.365 3.122 20 30 DGEDHN CCc1nn(C)c(CC)c1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618831406 400695765 /nfs/dbraw/zinc/69/57/65/400695765.db2.gz PEXNDJJKBXKTIT-SFHVURJKSA-N 0 3 308.429 3.194 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ncccc1C#N ZINC000077236680 400700923 /nfs/dbraw/zinc/70/09/23/400700923.db2.gz CSKDBOUWWOYTPV-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000597948861 400702392 /nfs/dbraw/zinc/70/23/92/400702392.db2.gz PYLXJNFGHQSWNU-RBSFLKMASA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCCSCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000597966725 400705178 /nfs/dbraw/zinc/70/51/78/400705178.db2.gz BEOXFOBBDLLFMA-INIZCTEOSA-N 0 3 306.475 3.105 20 30 DGEDHN C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000618887918 400709132 /nfs/dbraw/zinc/70/91/32/400709132.db2.gz MXAJQBCNPJPVRQ-XHDPSFHLSA-N 0 3 323.799 3.114 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(N2CCN(C3CCCC3)CC2)n1 ZINC000613411428 400712203 /nfs/dbraw/zinc/71/22/03/400712203.db2.gz OGELITDUNMGUKV-UHFFFAOYSA-N 0 3 312.461 3.315 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C3CCC3)CC2)cc1 ZINC000597990489 400715248 /nfs/dbraw/zinc/71/52/48/400715248.db2.gz XDRYWQGYLCVFPJ-LJQANCHMSA-N 0 3 321.424 3.279 20 30 DGEDHN CN1CC[C@@H]2[C@H](CCCN2c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613429374 400717492 /nfs/dbraw/zinc/71/74/92/400717492.db2.gz KQNBVSLRWLVFIK-HZPDHXFCSA-N 0 3 312.461 3.171 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)Sc2ccccc2)CC1 ZINC000171811673 400806565 /nfs/dbraw/zinc/80/65/65/400806565.db2.gz MJZCPSGPULTMJI-KRWDZBQOSA-N 0 3 318.486 3.324 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000172185698 400815538 /nfs/dbraw/zinc/81/55/38/400815538.db2.gz HRIMIBQMWYCGRW-MRXNPFEDSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CCOc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000054281493 400817065 /nfs/dbraw/zinc/81/70/65/400817065.db2.gz UYXPUDPVKNRIJI-UHFFFAOYSA-N 0 3 324.424 3.113 20 30 DGEDHN CC(C)(C)C(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598466332 400818440 /nfs/dbraw/zinc/81/84/40/400818440.db2.gz YRNPBDQWQVQPDL-AWEZNQCLSA-N 0 3 319.355 3.038 20 30 DGEDHN CN(C)[C@H](CC(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000598314041 400782021 /nfs/dbraw/zinc/78/20/21/400782021.db2.gz YMQBIKJEATWOMA-QGZVFWFLSA-N 0 3 313.445 3.270 20 30 DGEDHN C[C@@H](c1ccncc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000604526618 400783734 /nfs/dbraw/zinc/78/37/34/400783734.db2.gz BTILLLPHWQJMSU-KRWDZBQOSA-N 0 3 320.440 3.222 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2cccc(C)c2)CCCC1 ZINC000171088495 400785070 /nfs/dbraw/zinc/78/50/70/400785070.db2.gz CQOMLICRFLJDHW-INIZCTEOSA-N 0 3 300.446 3.087 20 30 DGEDHN CC(C)CC[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000180031541 400882069 /nfs/dbraw/zinc/88/20/69/400882069.db2.gz HBUXWIOAHIXNEO-OAHLLOKOSA-N 0 3 307.825 3.047 20 30 DGEDHN C=CCNC(=O)CN[C@@H](CCc1ccccc1)c1ccccc1 ZINC000180381249 400883017 /nfs/dbraw/zinc/88/30/17/400883017.db2.gz LFXRJJPVZHPTBS-IBGZPJMESA-N 0 3 308.425 3.252 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000172385411 400824268 /nfs/dbraw/zinc/82/42/68/400824268.db2.gz OXIUSNKYNMWJPP-GJZGRUSLSA-N 0 3 307.482 3.151 20 30 DGEDHN CC(C)Oc1cccc(CN(C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598598954 400841417 /nfs/dbraw/zinc/84/14/17/400841417.db2.gz KJYINTOBJIZCQJ-MRXNPFEDSA-N 0 3 304.434 3.206 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1OC(F)F ZINC000598603603 400842441 /nfs/dbraw/zinc/84/24/41/400842441.db2.gz XCTMEYIOCTUGAP-NEPJUHHUSA-N 0 3 312.360 3.239 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000598622690 400845634 /nfs/dbraw/zinc/84/56/34/400845634.db2.gz MWFYIBDPGNMBBR-FUHWJXTLSA-N 0 3 304.409 3.090 20 30 DGEDHN C=CCCSCCN[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000598678942 400856996 /nfs/dbraw/zinc/85/69/96/400856996.db2.gz BAKNMNLSFRPQGG-INIZCTEOSA-N 0 3 304.459 3.383 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000598699684 400859971 /nfs/dbraw/zinc/85/99/71/400859971.db2.gz HTTOKARGYPVWQY-GXTWGEPZSA-N 0 3 308.422 3.253 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1N1CCCCC1 ZINC000598724303 400865618 /nfs/dbraw/zinc/86/56/18/400865618.db2.gz NTZLRJWGXBPCTP-QGZVFWFLSA-N 0 3 315.461 3.067 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000598726775 400866721 /nfs/dbraw/zinc/86/67/21/400866721.db2.gz BIWIOCKQLTYLHN-LRDDRELGSA-N 0 3 308.372 3.233 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000598725642 400866801 /nfs/dbraw/zinc/86/68/01/400866801.db2.gz YHXOYQOLNNZKDB-KBPBESRZSA-N 0 3 314.351 3.223 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1Cc3ccccc3CO1)CC2 ZINC000599060465 400945170 /nfs/dbraw/zinc/94/51/70/400945170.db2.gz WZFAGOPNQPXHQO-ICSRJNTNSA-N 0 3 304.393 3.277 20 30 DGEDHN C=CCNC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000181893767 400890138 /nfs/dbraw/zinc/89/01/38/400890138.db2.gz GCOOZUKBWPFGMN-OAHLLOKOSA-N 0 3 314.351 3.294 20 30 DGEDHN Cn1cnc2cc(CNCc3ccc(C#N)c(Cl)c3)ccc21 ZINC000619749022 400898146 /nfs/dbraw/zinc/89/81/46/400898146.db2.gz WULUVFAOOKZCIG-UHFFFAOYSA-N 0 3 310.788 3.388 20 30 DGEDHN C[C@H](CCc1ccccc1)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000055901115 400900408 /nfs/dbraw/zinc/90/04/08/400900408.db2.gz KRGXGEUTSLOCJM-QGZVFWFLSA-N 0 3 320.440 3.097 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1Cc2ccccc2NC1=O ZINC000599074034 400952533 /nfs/dbraw/zinc/95/25/33/400952533.db2.gz JHBPBQKFXBHMIF-RTBURBONSA-N 0 3 317.392 3.089 20 30 DGEDHN CC(C#N)C(=O)N1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC000598913043 400908582 /nfs/dbraw/zinc/90/85/82/400908582.db2.gz ODHMMWLQWBNVTC-OAHLLOKOSA-N 0 3 313.445 3.048 20 30 DGEDHN CN1CCC(n2ncc3cc(-c4ccc(C#N)cc4)cnc32)CC1 ZINC000598931465 400909189 /nfs/dbraw/zinc/90/91/89/400909189.db2.gz WKUHZQPNYMHUBL-UHFFFAOYSA-N 0 3 317.396 3.237 20 30 DGEDHN CO[C@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000599017549 400927784 /nfs/dbraw/zinc/92/77/84/400927784.db2.gz ZTMMBNLYBHVPDA-KESTWPANSA-N 0 3 322.408 3.404 20 30 DGEDHN C[C@@H]1C[C@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000080230868 400933885 /nfs/dbraw/zinc/93/38/85/400933885.db2.gz WJRJMCXJGBMFDA-CRAIPNDOSA-N 0 3 306.413 3.418 20 30 DGEDHN Cc1ccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)cc1C#N ZINC000599267730 401006045 /nfs/dbraw/zinc/00/60/45/401006045.db2.gz ZEOZPAPZCUUHQA-QGZVFWFLSA-N 0 3 306.413 3.345 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC000594046115 400961182 /nfs/dbraw/zinc/96/11/82/400961182.db2.gz PNRYVDOZSWLDLS-QGZVFWFLSA-N 0 3 305.393 3.133 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H](CC(=O)OC(C)C)C(C)C ZINC000594046788 400963631 /nfs/dbraw/zinc/96/36/31/400963631.db2.gz SQEAJHNEDMLOIK-MRXNPFEDSA-N 0 3 318.417 3.023 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000057155604 400977038 /nfs/dbraw/zinc/97/70/38/400977038.db2.gz GWZISMOUDOZRMT-SJORKVTESA-N 0 3 304.478 3.053 20 30 DGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C)c(C#N)c1 ZINC000599433272 401048978 /nfs/dbraw/zinc/04/89/78/401048978.db2.gz PCBFVJLSIFDJSJ-SJORKVTESA-N 0 3 300.402 3.078 20 30 DGEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599512716 401062287 /nfs/dbraw/zinc/06/22/87/401062287.db2.gz LOWVCIMQMKICDX-STQMWFEESA-N 0 3 321.371 3.110 20 30 DGEDHN Cc1ccc(Br)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594428277 401064130 /nfs/dbraw/zinc/06/41/30/401064130.db2.gz MENVOWSPYQHALI-GFCCVEGCSA-N 0 3 324.222 3.107 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515493 401066229 /nfs/dbraw/zinc/06/62/29/401066229.db2.gz DFNZVNDFVMUFCT-CABCVRRESA-N 0 3 322.399 3.445 20 30 DGEDHN CCc1ccc(C(C)(C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594432584 401068698 /nfs/dbraw/zinc/06/86/98/401068698.db2.gz DILOYBNAYAINLD-MRXNPFEDSA-N 0 3 301.434 3.012 20 30 DGEDHN CC1(C)CCC(C)(C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000599539365 401071538 /nfs/dbraw/zinc/07/15/38/401071538.db2.gz ZOEGYLMOLHPYNG-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)CCOc1ccc(NC(=O)[C@H](N)CCCC#N)c(F)c1 ZINC000594456499 401074580 /nfs/dbraw/zinc/07/45/80/401074580.db2.gz LGWYTKLLJUQWIK-OAHLLOKOSA-N 0 3 321.396 3.210 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000081534587 401075292 /nfs/dbraw/zinc/07/52/92/401075292.db2.gz WBIOUVVUGQJKHY-FQEVSTJZSA-N 0 3 305.425 3.265 20 30 DGEDHN CCOC(=O)CCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599341748 401026136 /nfs/dbraw/zinc/02/61/36/401026136.db2.gz VTFWCZYTFVXLAK-UHFFFAOYSA-N 0 3 314.429 3.422 20 30 DGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599351034 401030054 /nfs/dbraw/zinc/03/00/54/401030054.db2.gz VIRUINSSGJQBHO-LSDHHAIUSA-N 0 3 302.418 3.179 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000057862463 401034593 /nfs/dbraw/zinc/03/45/93/401034593.db2.gz FLECWQCOOVWUFL-GOSISDBHSA-N 0 3 306.413 3.227 20 30 DGEDHN Cc1cccc(CN(C)C[C@H](O)COc2ccccc2C#N)c1C ZINC000599428929 401047168 /nfs/dbraw/zinc/04/71/68/401047168.db2.gz MORCXASUMCFEHH-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN Cc1ccccc1C(C)(C)NC[C@H](O)COc1ccccc1C#N ZINC000599428058 401047252 /nfs/dbraw/zinc/04/72/52/401047252.db2.gz FXYKZKGTBTUBBU-KRWDZBQOSA-N 0 3 324.424 3.131 20 30 DGEDHN Cc1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1C#N ZINC000599426508 401047500 /nfs/dbraw/zinc/04/75/00/401047500.db2.gz GMYWBWPREBKYEP-UHFFFAOYSA-N 0 3 320.436 3.393 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@H]2CCC[C@H]21 ZINC000599655183 401104337 /nfs/dbraw/zinc/10/43/37/401104337.db2.gz OOGVQKFLUKVMMA-KSZLIROESA-N 0 3 312.413 3.030 20 30 DGEDHN CCC(O)(CC)CN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000599673408 401107852 /nfs/dbraw/zinc/10/78/52/401107852.db2.gz NCUMEACMIIRLBN-UHFFFAOYSA-N 0 3 312.360 3.143 20 30 DGEDHN N#CCc1cccc2c1CCN(C[C@H](O)CCc1ccccc1)C2 ZINC000599676483 401109594 /nfs/dbraw/zinc/10/95/94/401109594.db2.gz DLFGRUWLQCHLSY-HXUWFJFHSA-N 0 3 320.436 3.104 20 30 DGEDHN N#CCc1cccc2c1CCN(CCN1CCc3ccccc31)C2 ZINC000599679293 401111945 /nfs/dbraw/zinc/11/19/45/401111945.db2.gz XSNUTHWZVQQXQM-UHFFFAOYSA-N 0 3 317.436 3.173 20 30 DGEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000060851047 401137501 /nfs/dbraw/zinc/13/75/01/401137501.db2.gz LZROHLPLEPGHGW-CYBMUJFWSA-N 0 3 314.776 3.148 20 30 DGEDHN CN(CCCOc1ccccc1)CCOc1cccc(C#N)c1 ZINC000059384326 401092023 /nfs/dbraw/zinc/09/20/23/401092023.db2.gz DCWYUQGLHYXTSQ-UHFFFAOYSA-N 0 3 310.397 3.338 20 30 DGEDHN N#CC1(CCN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)CCCCC1 ZINC000599630970 401096870 /nfs/dbraw/zinc/09/68/70/401096870.db2.gz QYNWAYLSTGERAL-WBVHZDCISA-N 0 3 315.417 3.071 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1cc(C)ccc1C ZINC000599641151 401099608 /nfs/dbraw/zinc/09/96/08/401099608.db2.gz PTFJDTXKTKVTAX-YJBOKZPZSA-N 0 3 315.461 3.352 20 30 DGEDHN C=CCCSCCNCc1cn(C)nc1-c1ccc(C)o1 ZINC000594969032 401212599 /nfs/dbraw/zinc/21/25/99/401212599.db2.gz UZWOBAUFYWABQM-UHFFFAOYSA-N 0 3 305.447 3.387 20 30 DGEDHN CO[C@@](C)(CNCc1cccc(C#N)c1)COCc1ccccc1 ZINC000594974539 401215808 /nfs/dbraw/zinc/21/58/08/401215808.db2.gz LMURAPXJDXBVPN-FQEVSTJZSA-N 0 3 324.424 3.270 20 30 DGEDHN Cc1oc(NC(=O)[C@H](C)N(C)CC2CCCC2)c(C#N)c1C ZINC000064020659 401227545 /nfs/dbraw/zinc/22/75/45/401227545.db2.gz FZPNIDJSOZEHFL-LBPRGKRZSA-N 0 3 303.406 3.217 20 30 DGEDHN CC(C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000065961642 401288059 /nfs/dbraw/zinc/28/80/59/401288059.db2.gz JVTIZOAHONEAIU-LLVKDONJSA-N 0 3 305.447 3.023 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000630843207 401339560 /nfs/dbraw/zinc/33/95/60/401339560.db2.gz YZKQIKPDDBONQC-SFHVURJKSA-N 0 3 312.457 3.371 20 30 DGEDHN C=CCOCCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101892 401299580 /nfs/dbraw/zinc/29/95/80/401299580.db2.gz LBYJAUZVSMPEFP-CQSZACIVSA-N 0 3 304.217 3.209 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)CCc2c[nH]c3ccccc23)nn1 ZINC000631638726 401521362 /nfs/dbraw/zinc/52/13/62/401521362.db2.gz PODXFEDHSKHEFQ-AWEZNQCLSA-N 0 3 309.417 3.056 20 30 DGEDHN C=C(C)COCCNCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623449759 401522189 /nfs/dbraw/zinc/52/21/89/401522189.db2.gz KKZXWQCHCXRTSE-UHFFFAOYSA-N 0 3 303.324 3.396 20 30 DGEDHN C=CCc1cc(CN(C)CC(O)(CC)CC)cc(OC)c1O ZINC000628479851 401604534 /nfs/dbraw/zinc/60/45/34/401604534.db2.gz IPURDSYUMXRQOD-UHFFFAOYSA-N 0 3 307.434 3.112 20 30 DGEDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(C#N)cc1 ZINC000173858391 164708849 /nfs/dbraw/zinc/70/88/49/164708849.db2.gz GCSKLUHPGGCBBD-HNNXBMFYSA-N 0 3 317.396 3.049 20 30 DGEDHN N#Cc1ccc(OCCN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186685148 165055344 /nfs/dbraw/zinc/05/53/44/165055344.db2.gz OUTFPXPUVVQQER-FQEVSTJZSA-N 0 3 320.392 3.068 20 30 DGEDHN Cc1cc(Cl)ccc1OCCCNCc1cc(C#N)n(C)c1 ZINC000190864704 165219383 /nfs/dbraw/zinc/21/93/83/165219383.db2.gz UIXRIZGGXJPMDT-UHFFFAOYSA-N 0 3 317.820 3.417 20 30 DGEDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192120621 165282564 /nfs/dbraw/zinc/28/25/64/165282564.db2.gz UQBKAQZRZPSXKF-GOSISDBHSA-N 0 3 312.388 3.470 20 30 DGEDHN Cc1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccc1C#N ZINC000361249336 165928476 /nfs/dbraw/zinc/92/84/76/165928476.db2.gz GFVUDWCAMIAIMI-FQEVSTJZSA-N 0 3 306.409 3.003 20 30 DGEDHN C[C@@H](CCNCc1ccc(C#N)cc1F)NC(=O)OC(C)(C)C ZINC000269420766 432171206 /nfs/dbraw/zinc/17/12/06/432171206.db2.gz LTFGPUPUJKJEHX-LBPRGKRZSA-N 0 3 321.396 3.090 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000171721905 432165291 /nfs/dbraw/zinc/16/52/91/432165291.db2.gz ALPNMHUFGVLJMJ-UHFFFAOYSA-N 0 3 312.335 3.086 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CCCC)CC1 ZINC000171733558 432166101 /nfs/dbraw/zinc/16/61/01/432166101.db2.gz YLCXUWXUAZXZEY-RDJZCZTQSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)c2F)CC1 ZINC000171740114 432166506 /nfs/dbraw/zinc/16/65/06/432166506.db2.gz MDCHKHPEVOKSNZ-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C[C@@H]1CCN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000246830305 432170769 /nfs/dbraw/zinc/17/07/69/432170769.db2.gz YEMSVHNOBVGNME-IEBWSBKVSA-N 0 3 310.445 3.026 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1C ZINC000190895356 432198980 /nfs/dbraw/zinc/19/89/80/432198980.db2.gz BMMSKXHEJCRJIR-CQSZACIVSA-N 0 3 317.348 3.437 20 30 DGEDHN C=CCc1cc(CN2CCSC[C@H](C)C2)cc(OC)c1O ZINC000190844858 432193773 /nfs/dbraw/zinc/19/37/73/432193773.db2.gz MILFLFNJHKPACX-CYBMUJFWSA-N 0 3 307.459 3.314 20 30 DGEDHN C[C@@H]1C[C@@H](N(C)c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000150876523 432198155 /nfs/dbraw/zinc/19/81/55/432198155.db2.gz VTLQZEHHUPHIGF-APWZRJJASA-N 0 3 320.440 3.443 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000182698071 432218565 /nfs/dbraw/zinc/21/85/65/432218565.db2.gz XMXNUKYVYQGRIO-MSOLQXFVSA-N 0 3 314.335 3.456 20 30 DGEDHN Cc1ccc(NCc2cccc(C#N)c2)c(OCCN(C)C)c1 ZINC000133947249 196348057 /nfs/dbraw/zinc/34/80/57/196348057.db2.gz JCQIINLUIHZKQQ-UHFFFAOYSA-N 0 3 309.413 3.419 20 30 DGEDHN Cc1cc([C@](C)(O)CNC2CC(C#N)(c3ccccc3)C2)c(C)o1 ZINC000127380156 227004220 /nfs/dbraw/zinc/00/42/20/227004220.db2.gz LWORXVVECIWDLL-SKINQDTJSA-N 0 3 324.424 3.318 20 30 DGEDHN CN1CCC(Oc2ccc(CNc3cccnc3C#N)cc2)CC1 ZINC000291086382 222125977 /nfs/dbraw/zinc/12/59/77/222125977.db2.gz ITTCSBPBGPOEEB-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000291336084 222322432 /nfs/dbraw/zinc/32/24/32/222322432.db2.gz VIAMSQULBYXPSY-NRFANRHFSA-N 0 3 320.436 3.375 20 30 DGEDHN Cc1nccn1CCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000163195755 228261329 /nfs/dbraw/zinc/26/13/29/228261329.db2.gz WYIPDVYZZYZQBU-OALUTQOASA-N 0 3 308.429 3.353 20 30 DGEDHN Cc1cc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)nc(C)n1 ZINC000329136614 228930764 /nfs/dbraw/zinc/93/07/64/228930764.db2.gz HCCKRHXAQQOCDV-KRWDZBQOSA-N 0 3 316.449 3.347 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000330905883 229008394 /nfs/dbraw/zinc/00/83/94/229008394.db2.gz NATUQXBHOONLPN-BXKDBHETSA-N 0 3 311.769 3.036 20 30 DGEDHN Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C)C2)c(OCCN(C)C)c1 ZINC000331281954 229026985 /nfs/dbraw/zinc/02/69/85/229026985.db2.gz CSJQOCGAKNFDHW-DZGCQCFKSA-N 0 3 319.449 3.450 20 30 DGEDHN N#CCCCN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331674669 229032248 /nfs/dbraw/zinc/03/22/48/229032248.db2.gz OJPASUZWFOSDRC-OAHLLOKOSA-N 0 3 301.438 3.336 20 30 DGEDHN N#CCCCN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331674669 229032252 /nfs/dbraw/zinc/03/22/52/229032252.db2.gz OJPASUZWFOSDRC-OAHLLOKOSA-N 0 3 301.438 3.336 20 30 DGEDHN CC(C#N)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000343697484 229129526 /nfs/dbraw/zinc/12/95/26/229129526.db2.gz TXIISUGCROMYNL-NSHDSACASA-N 0 3 321.218 3.147 20 30 DGEDHN CC(C#N)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000347062841 229180884 /nfs/dbraw/zinc/18/08/84/229180884.db2.gz GZRFTULJALWCNR-GHMZBOCLSA-N 0 3 309.207 3.046 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000347062082 229180935 /nfs/dbraw/zinc/18/09/35/229180935.db2.gz GHLIGGJTZDGZHZ-CYBMUJFWSA-N 0 3 312.344 3.181 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000347128494 229182683 /nfs/dbraw/zinc/18/26/83/229182683.db2.gz FZLPBSQOHJALNI-LBPRGKRZSA-N 0 3 304.353 3.006 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccccc1C#Cc1ccccc1)N(C)C ZINC000351685198 229236251 /nfs/dbraw/zinc/23/62/51/229236251.db2.gz MJKPOSMGJITTFZ-MRXNPFEDSA-N 0 3 321.424 3.158 20 30 DGEDHN N#CC(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccncn1 ZINC000354459428 229294682 /nfs/dbraw/zinc/29/46/82/229294682.db2.gz DEQRXHNKIARZCB-HNNXBMFYSA-N 0 3 316.364 3.327 20 30 DGEDHN COCC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000356750492 229341001 /nfs/dbraw/zinc/34/10/01/229341001.db2.gz ZISUTDINTAXXIW-TVQRCGJNSA-N 0 3 315.200 3.347 20 30 DGEDHN CC(C#N)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000357018997 229343852 /nfs/dbraw/zinc/34/38/52/229343852.db2.gz LMTYYRDFANJQQM-SECBINFHSA-N 0 3 305.790 3.239 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000357787199 229353932 /nfs/dbraw/zinc/35/39/32/229353932.db2.gz GKMKGLZRAATUOA-MFKMUULPSA-N 0 3 307.191 3.272 20 30 DGEDHN COCCC[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000358922300 229367511 /nfs/dbraw/zinc/36/75/11/229367511.db2.gz UVNZXTZERKGNRQ-GXTWGEPZSA-N 0 3 308.809 3.126 20 30 DGEDHN C[C@H]1C[C@@H](Nc2ncc(C#N)cc2F)CN1Cc1ccccc1 ZINC000413190760 230149181 /nfs/dbraw/zinc/14/91/81/230149181.db2.gz XMHZFBWFHMTNRD-XJKSGUPXSA-N 0 3 310.376 3.167 20 30 DGEDHN COc1cccc([C@H](CNCc2cc(C#N)cs2)OC)c1 ZINC000527733720 269795166 /nfs/dbraw/zinc/79/51/66/269795166.db2.gz FFYPTNIYGDHILD-INIZCTEOSA-N 0 3 302.399 3.106 20 30 DGEDHN CCN(CCN1CCCCCC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000346351631 264016759 /nfs/dbraw/zinc/01/67/59/264016759.db2.gz NUSYBRJYRAVFIZ-UHFFFAOYSA-N 0 3 317.408 3.035 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2OC)C1(C)C ZINC000347243083 264182165 /nfs/dbraw/zinc/18/21/65/264182165.db2.gz TZXWJEKSXKVXNC-IAGOWNOFSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@@H](NCc1ccc(Br)cc1C#N)[C@@H]1CCCOC1 ZINC000347255944 264184931 /nfs/dbraw/zinc/18/49/31/264184931.db2.gz VTHPDTBEMAUEJG-DGCLKSJQSA-N 0 3 323.234 3.225 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCN(CCC(C)(C)C)CC1 ZINC000347269242 264187540 /nfs/dbraw/zinc/18/75/40/264187540.db2.gz RRACDWCQFDMKSM-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1F ZINC000359003417 270004079 /nfs/dbraw/zinc/00/40/79/270004079.db2.gz OAOXBLLRRIXYCR-UAGQMJEPSA-N 0 3 300.377 3.135 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCC2CC2)CC1 ZINC000360061424 270004183 /nfs/dbraw/zinc/00/41/83/270004183.db2.gz BHXULKYQDKEKSX-UHFFFAOYSA-N 0 3 306.413 3.029 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@]2(CO)Cc2ccccc2)cc1F ZINC000361842790 270004692 /nfs/dbraw/zinc/00/46/92/270004692.db2.gz MYFYBWDCYMMTLP-FQEVSTJZSA-N 0 3 324.399 3.267 20 30 DGEDHN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000361757143 270004808 /nfs/dbraw/zinc/00/48/08/270004808.db2.gz WZYBYTDUBFXEMT-SFHVURJKSA-N 0 3 312.388 3.470 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000353351262 266047419 /nfs/dbraw/zinc/04/74/19/266047419.db2.gz JZZIEUBWAVMDBU-UHFFFAOYSA-N 0 3 314.433 3.288 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC)N(CC)CC ZINC000359569583 266050310 /nfs/dbraw/zinc/05/03/10/266050310.db2.gz IOISXRZJISARLD-SFHVURJKSA-N 0 3 315.461 3.417 20 30 DGEDHN CCC[C@H](NC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000355056390 266079932 /nfs/dbraw/zinc/07/99/32/266079932.db2.gz LKWDPPGLOBRKNX-INIZCTEOSA-N 0 3 317.433 3.451 20 30 DGEDHN CCOC[C@@H](NCc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000348441358 266283907 /nfs/dbraw/zinc/28/39/07/266283907.db2.gz LEGOQRHSLPWMCU-CQSZACIVSA-N 0 3 312.360 3.310 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)CCOc2ccc(C#N)cc2)C12CCC2 ZINC000357803361 266291472 /nfs/dbraw/zinc/29/14/72/266291472.db2.gz OHJICHDETSRZAV-QZTJIDSGSA-N 0 3 314.429 3.217 20 30 DGEDHN CC[C@@H](C)NC(=O)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360659028 266359414 /nfs/dbraw/zinc/35/94/14/266359414.db2.gz WIQRCKVFDNQBEX-RDTXWAMCSA-N 0 3 313.445 3.220 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1cc2c(nn1)CCC2)C(C)C ZINC000621742740 425113953 /nfs/dbraw/zinc/11/39/53/425113953.db2.gz PHERNDQWEDLPHB-KRWDZBQOSA-N 0 3 300.450 3.076 20 30 DGEDHN C[C@@](O)(CN[C@@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F ZINC000360655227 267114029 /nfs/dbraw/zinc/11/40/29/267114029.db2.gz CKGWNLGOYPHMBE-HUUCEWRRSA-N 0 3 312.335 3.229 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353246180 267146325 /nfs/dbraw/zinc/14/63/25/267146325.db2.gz YXJYJURXQYPJNT-WBMJQRKESA-N 0 3 300.402 3.255 20 30 DGEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@H]1C ZINC000349874577 267160620 /nfs/dbraw/zinc/16/06/20/267160620.db2.gz MMPIVWXAQZAPLT-CHWSQXEVSA-N 0 3 319.836 3.204 20 30 DGEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccncc1F ZINC000353599782 267180543 /nfs/dbraw/zinc/18/05/43/267180543.db2.gz XODOVNBOYXFSIT-AWEZNQCLSA-N 0 3 324.403 3.412 20 30 DGEDHN C[C@H]1CCN(C)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356223566 267216799 /nfs/dbraw/zinc/21/67/99/267216799.db2.gz RZLNQVDMFTZXDI-LBPRGKRZSA-N 0 3 311.351 3.103 20 30 DGEDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(C#N)cn1 ZINC000399458390 267301755 /nfs/dbraw/zinc/30/17/55/267301755.db2.gz UJMSSHCQDQCWGY-KXBFYZLASA-N 0 3 320.440 3.006 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357536439 267328305 /nfs/dbraw/zinc/32/83/05/267328305.db2.gz PAEISZPHCDQOOB-IUODEOHRSA-N 0 3 324.403 3.013 20 30 DGEDHN Cc1cc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c(C)o1 ZINC000364464126 267364016 /nfs/dbraw/zinc/36/40/16/267364016.db2.gz VICLYFPWOUUEEK-AWEZNQCLSA-N 0 3 324.428 3.483 20 30 DGEDHN Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000151326918 432237552 /nfs/dbraw/zinc/23/75/52/432237552.db2.gz SMSGOCUCROPMGQ-UHFFFAOYSA-N 0 3 323.396 3.059 20 30 DGEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000367207971 268055143 /nfs/dbraw/zinc/05/51/43/268055143.db2.gz FNHKSKUHQQAHDI-HXUWFJFHSA-N 0 3 304.393 3.381 20 30 DGEDHN N#Cc1ccc(CN2CCN(CC3CCCCC3)CC2)s1 ZINC000506398684 268221328 /nfs/dbraw/zinc/22/13/28/268221328.db2.gz YOSVLNGVZTZEKR-UHFFFAOYSA-N 0 3 303.475 3.318 20 30 DGEDHN C#CCCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000270504501 432253264 /nfs/dbraw/zinc/25/32/64/432253264.db2.gz IIZCZNSXKYIAHH-UHFFFAOYSA-N 0 3 308.784 3.153 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCCCC2=O)CC1 ZINC000120107339 274276210 /nfs/dbraw/zinc/27/62/10/274276210.db2.gz OWYUPGBGKXAGKL-HNNXBMFYSA-N 0 3 311.429 3.096 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCC2 ZINC000191393698 432259493 /nfs/dbraw/zinc/25/94/93/432259493.db2.gz ZGEWAOHYBIUPER-IRXDYDNUSA-N 0 3 301.434 3.066 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](N2CCCCC2)C1 ZINC000265241543 274922258 /nfs/dbraw/zinc/92/22/58/274922258.db2.gz OUOUHXYKPCTGRF-ZDUSSCGKSA-N 0 3 324.350 3.037 20 30 DGEDHN N#Cc1nc(N2CCN(C3CCCC3)CC2)ccc1C(F)(F)F ZINC000443513565 274930992 /nfs/dbraw/zinc/93/09/92/274930992.db2.gz VRQRKZZMAMEWQS-UHFFFAOYSA-N 0 3 324.350 3.037 20 30 DGEDHN C=CC1CCN([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000348162587 275421606 /nfs/dbraw/zinc/42/16/06/275421606.db2.gz CENDYVBMEMJVDW-GOSISDBHSA-N 0 3 300.446 3.494 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000439650970 275738450 /nfs/dbraw/zinc/73/84/50/275738450.db2.gz QTCVNOADPGIIBP-BBWFWOEESA-N 0 3 322.493 3.127 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000449548824 275751389 /nfs/dbraw/zinc/75/13/89/275751389.db2.gz QZPHOJMXYKGHKM-IMJJTQAJSA-N 0 3 303.402 3.232 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ccc2c(n1)CCC2=O)C(C)C ZINC000520643331 429524060 /nfs/dbraw/zinc/52/40/60/429524060.db2.gz CQQLLMRIGKRCJE-KRWDZBQOSA-N 0 3 313.445 3.321 20 30 DGEDHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000341221019 276583957 /nfs/dbraw/zinc/58/39/57/276583957.db2.gz OQMSEVUFVIDVEO-KRWDZBQOSA-N 0 3 313.445 3.412 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1cccs1 ZINC000036774347 276866578 /nfs/dbraw/zinc/86/65/78/276866578.db2.gz WJUXRCZEYURAJJ-CQSZACIVSA-N 0 3 316.386 3.243 20 30 DGEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362372300 276913735 /nfs/dbraw/zinc/91/37/35/276913735.db2.gz WJWSOPRRHNUDOY-SJLPKXTDSA-N 0 3 315.461 3.333 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(CCCC#N)C2 ZINC000377344042 277194113 /nfs/dbraw/zinc/19/41/13/277194113.db2.gz GMHZQEBDZOTTLD-QGZVFWFLSA-N 0 3 307.438 3.013 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000496033811 277202841 /nfs/dbraw/zinc/20/28/41/277202841.db2.gz BTZUFVYZFDRMAD-OAHLLOKOSA-N 0 3 321.465 3.450 20 30 DGEDHN CC(C)C1CCC(N(C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000433141476 277340433 /nfs/dbraw/zinc/34/04/33/277340433.db2.gz PFEKFALXGRFRED-UHFFFAOYSA-N 0 3 319.493 3.476 20 30 DGEDHN CC1CCN([C@H](CNc2cc(C#N)ncn2)c2ccccc2)CC1 ZINC000617941682 430592180 /nfs/dbraw/zinc/59/21/80/430592180.db2.gz LFEYXFVCFOLXNQ-GOSISDBHSA-N 0 3 321.428 3.233 20 30 DGEDHN C=CC[C@H]1N(C(=O)NC[C@H](N)c2ccccc2)CCCC1(C)C ZINC000418426340 277890719 /nfs/dbraw/zinc/89/07/19/277890719.db2.gz JRCDMGWCHSIZFM-DLBZAZTESA-N 0 3 315.461 3.463 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C2CCCC2)C1 ZINC000333631354 278203804 /nfs/dbraw/zinc/20/38/04/278203804.db2.gz AXXFIVWGFWBJOQ-DOTOQJQBSA-N 0 3 317.477 3.230 20 30 DGEDHN CC(C)(C#N)CC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000359809999 278256253 /nfs/dbraw/zinc/25/62/53/278256253.db2.gz SLCLPUWODUIOBX-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000135561613 278259950 /nfs/dbraw/zinc/25/99/50/278259950.db2.gz DIPSHPJUDIKLDV-IRXDYDNUSA-N 0 3 316.470 3.194 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000111418762 278278015 /nfs/dbraw/zinc/27/80/15/278278015.db2.gz WVIAEOBPUIMHKW-HNNXBMFYSA-N 0 3 322.412 3.200 20 30 DGEDHN CC[C@H](C)N(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000068450021 431130853 /nfs/dbraw/zinc/13/08/53/431130853.db2.gz OXQMQMCUNOZWJS-INIZCTEOSA-N 0 3 301.434 3.280 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1CCC(C)C ZINC000351668628 279213715 /nfs/dbraw/zinc/21/37/15/279213715.db2.gz BTRXZDHSKAHIDM-DLBZAZTESA-N 0 3 307.482 3.285 20 30 DGEDHN C[C@H](CN1CCCCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301307274 279303784 /nfs/dbraw/zinc/30/37/84/279303784.db2.gz VPGRRSPSLLGOOW-LLVKDONJSA-N 0 3 312.339 3.258 20 30 DGEDHN CC(C)(C)CCN1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000111218480 431199636 /nfs/dbraw/zinc/19/96/36/431199636.db2.gz JDRYRJCCQAIQKR-UHFFFAOYSA-N 0 3 306.841 3.165 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)N(C)CCC#N ZINC000070788652 431259197 /nfs/dbraw/zinc/25/91/97/431259197.db2.gz JKYFVKPYKCVXIE-LSDHHAIUSA-N 0 3 309.413 3.251 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC1CCC1 ZINC000111298656 431208325 /nfs/dbraw/zinc/20/83/25/431208325.db2.gz UFVCGKCGBWANII-AWEZNQCLSA-N 0 3 306.475 3.383 20 30 DGEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000112699182 431297295 /nfs/dbraw/zinc/29/72/95/431297295.db2.gz DKBPGHRZCAZCAX-OALUTQOASA-N 0 3 315.461 3.370 20 30 DGEDHN CCN(CCC#N)C(=O)CNC1(c2cccc(C)c2)CCCC1 ZINC000072962883 431358629 /nfs/dbraw/zinc/35/86/29/431358629.db2.gz FNBTZXAUQHUBOO-UHFFFAOYSA-N 0 3 313.445 3.116 20 30 DGEDHN N#CCCCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072977619 431359268 /nfs/dbraw/zinc/35/92/68/431359268.db2.gz LQDAXQGQPHVDNV-UHFFFAOYSA-N 0 3 323.799 3.433 20 30 DGEDHN N#Cc1ccc(CN(CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000074312284 431413096 /nfs/dbraw/zinc/41/30/96/431413096.db2.gz CKDLMXPJJVALLC-FQEVSTJZSA-N 0 3 306.409 3.430 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)n1C ZINC000114620745 431401635 /nfs/dbraw/zinc/40/16/35/431401635.db2.gz KRPLGJLROBBBMN-CYBMUJFWSA-N 0 3 322.393 3.342 20 30 DGEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000115596771 431464524 /nfs/dbraw/zinc/46/45/24/431464524.db2.gz LTHXSKMQFPQKLA-HNAYVOBHSA-N 0 3 319.408 3.404 20 30 DGEDHN C=CCCCN1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000075887769 431503195 /nfs/dbraw/zinc/50/31/95/431503195.db2.gz XBBYBGWVZPKGCA-HNNXBMFYSA-N 0 3 323.506 3.324 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000116908771 431538749 /nfs/dbraw/zinc/53/87/49/431538749.db2.gz SNDWKGILZYYXEK-ZBFHGGJFSA-N 0 3 314.454 3.312 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000116972873 431541063 /nfs/dbraw/zinc/54/10/63/431541063.db2.gz WVTBSJFHTCSJEC-WBVHZDCISA-N 0 3 301.434 3.087 20 30 DGEDHN C[C@]1(CNCc2ccc(C#N)s2)OCCc2sccc21 ZINC000289983126 280157057 /nfs/dbraw/zinc/15/70/57/280157057.db2.gz ZVOJWIGOLPVSEB-OAHLLOKOSA-N 0 3 304.440 3.259 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2CC)CC1 ZINC000077566982 431609687 /nfs/dbraw/zinc/60/96/87/431609687.db2.gz CKDOJHBJGPGCRR-UHFFFAOYSA-N 0 3 315.461 3.089 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000025665636 431662416 /nfs/dbraw/zinc/66/24/16/431662416.db2.gz HPVBPPYKUHEIQV-AZUAARDMSA-N 0 3 324.424 3.347 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCc1ccccc1CN(C)C ZINC000030563983 431741443 /nfs/dbraw/zinc/74/14/43/431741443.db2.gz OOBAOPALFQPAET-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000120250396 431723579 /nfs/dbraw/zinc/72/35/79/431723579.db2.gz QECZQCSKXASTFQ-NVXWUHKLSA-N 0 3 319.836 3.189 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000041519120 431859928 /nfs/dbraw/zinc/85/99/28/431859928.db2.gz NVWHZCFLLTUXAJ-LBPRGKRZSA-N 0 3 314.366 3.103 20 30 DGEDHN CC(C)C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000123774683 431873944 /nfs/dbraw/zinc/87/39/44/431873944.db2.gz BQTCJHNYGNURPY-PKOBYXMFSA-N 0 3 313.445 3.172 20 30 DGEDHN CN(CCC#N)C(=O)CCNC1(c2ccc(Cl)cc2)CCC1 ZINC000092803841 431912271 /nfs/dbraw/zinc/91/22/71/431912271.db2.gz DYNZRQBZWHHPQF-UHFFFAOYSA-N 0 3 319.836 3.071 20 30 DGEDHN C[C@H](CCO)N(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000093304574 431914299 /nfs/dbraw/zinc/91/42/99/431914299.db2.gz KNCBUDMQGWGUPW-QGZVFWFLSA-N 0 3 311.400 3.450 20 30 DGEDHN CCN(CC(C)(C)CCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362539 431914453 /nfs/dbraw/zinc/91/44/53/431914453.db2.gz XHUNYOOUKISVQA-QGZVFWFLSA-N 0 3 313.445 3.444 20 30 DGEDHN C=CCc1cc(CN2CCC[C@@H](COCC)C2)cc(OC)c1O ZINC000093419097 431914650 /nfs/dbraw/zinc/91/46/50/431914650.db2.gz YUCCNBUFMMTYLI-OAHLLOKOSA-N 0 3 319.445 3.378 20 30 DGEDHN COc1ccc(CN(C)CCSC)cc1OCCCC#N ZINC000093509632 431915843 /nfs/dbraw/zinc/91/58/43/431915843.db2.gz YLLIEFQYYBETCY-UHFFFAOYSA-N 0 3 308.447 3.173 20 30 DGEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCSC1 ZINC000089938833 431886132 /nfs/dbraw/zinc/88/61/32/431886132.db2.gz ZLOMGMVDYMRIBD-ZDUSSCGKSA-N 0 3 315.360 3.374 20 30 DGEDHN CC[C@@H](O)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000124269302 431887676 /nfs/dbraw/zinc/88/76/76/431887676.db2.gz MDAGKPTZEOVQNP-LJQANCHMSA-N 0 3 324.424 3.388 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1sc(C)nc1C)C(C)C ZINC000046049425 431893789 /nfs/dbraw/zinc/89/37/89/431893789.db2.gz XMOYQQSVONPLQM-OAHLLOKOSA-N 0 3 321.490 3.188 20 30 DGEDHN CC(C)CO[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000091964466 431906575 /nfs/dbraw/zinc/90/65/75/431906575.db2.gz IIPUDCBUUWKCAQ-LJQANCHMSA-N 0 3 315.461 3.283 20 30 DGEDHN N#CCc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000048813713 431932731 /nfs/dbraw/zinc/93/27/31/431932731.db2.gz OXHSTXNONRRTGG-AWEZNQCLSA-N 0 3 300.321 3.119 20 30 DGEDHN CCCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000125822607 431936033 /nfs/dbraw/zinc/93/60/33/431936033.db2.gz REPGKCSMKVWYBM-CQSZACIVSA-N 0 3 305.397 3.193 20 30 DGEDHN C=C(C)COCCNCc1ccc(OC)c(Br)c1 ZINC000125813446 431936219 /nfs/dbraw/zinc/93/62/19/431936219.db2.gz ANAWDLMQFZVUBM-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000125834352 431937457 /nfs/dbraw/zinc/93/74/57/431937457.db2.gz HGJBQYQTWUVHGI-HOTGVXAUSA-N 0 3 307.482 3.105 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](C)C1 ZINC000097056373 431958301 /nfs/dbraw/zinc/95/83/01/431958301.db2.gz OGERCHWARVMTNO-LPMVOBIJSA-N 0 3 305.466 3.038 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CCCC1)c1ccsc1 ZINC000053501743 431963887 /nfs/dbraw/zinc/96/38/87/431963887.db2.gz AOQMGCGWIRICFN-HNNXBMFYSA-N 0 3 319.474 3.331 20 30 DGEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1CC1CCCCC1)C1CC1 ZINC000127080246 431963893 /nfs/dbraw/zinc/96/38/93/431963893.db2.gz AFBIGHRFKYKZIS-MJGOQNOKSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)cc1F ZINC000270651776 432272125 /nfs/dbraw/zinc/27/21/25/432272125.db2.gz MCJDVLRIJJORRZ-IAQYHMDHSA-N 0 3 304.390 3.361 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC(c2ccncc2)CC1 ZINC000191618917 432284635 /nfs/dbraw/zinc/28/46/35/432284635.db2.gz ZIGVPMMEPWPYBQ-UHFFFAOYSA-N 0 3 307.397 3.341 20 30 DGEDHN COc1ccc(CN2CCC(c3ccncc3)CC2)cc1C#N ZINC000191667287 432289284 /nfs/dbraw/zinc/28/92/84/432289284.db2.gz DANVFQHHQQGHEM-UHFFFAOYSA-N 0 3 307.397 3.341 20 30 DGEDHN CC[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000248546853 432299986 /nfs/dbraw/zinc/29/99/86/432299986.db2.gz FAAJLGXMRWGALP-SDDRHHMPSA-N 0 3 319.474 3.460 20 30 DGEDHN N#CC1CCN(Cc2ccc(CN3CCC(C#N)CC3)cc2)CC1 ZINC000057906243 431994591 /nfs/dbraw/zinc/99/45/91/431994591.db2.gz XRTUYLHERLXAFH-UHFFFAOYSA-N 0 3 322.456 3.158 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C/SCc2ccco2)CC1 ZINC000152304214 432322146 /nfs/dbraw/zinc/32/21/46/432322146.db2.gz OBJNPPFCURFIEO-YRNVUSSQSA-N 0 3 320.458 3.183 20 30 DGEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248903289 432329457 /nfs/dbraw/zinc/32/94/57/432329457.db2.gz VMCTWEZPSPCWDT-IAGOWNOFSA-N 0 3 313.445 3.444 20 30 DGEDHN COC(=O)CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000249044370 432334567 /nfs/dbraw/zinc/33/45/67/432334567.db2.gz VQOZOKYRNSMMBB-PVAVHDDUSA-N 0 3 300.402 3.353 20 30 DGEDHN CCN1CCN(c2cccc(NCc3cccc(C#N)c3)c2)CC1 ZINC000191884671 432309700 /nfs/dbraw/zinc/30/97/00/432309700.db2.gz DQUXOZFPHVVIJM-UHFFFAOYSA-N 0 3 320.440 3.312 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000271385354 432386208 /nfs/dbraw/zinc/38/62/08/432386208.db2.gz STICYDZQHPJPBB-HKUYNNGSSA-N 0 3 312.457 3.207 20 30 DGEDHN COC(=O)c1ccc2c(c1)CN(CCCC(C)(C)C#N)CC2 ZINC000271415210 432390824 /nfs/dbraw/zinc/39/08/24/432390824.db2.gz ZISCBDHZPSWGGL-UHFFFAOYSA-N 0 3 300.402 3.161 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000175080058 432395134 /nfs/dbraw/zinc/39/51/34/432395134.db2.gz XZXBAXNEMVXRBB-SFHVURJKSA-N 0 3 316.445 3.305 20 30 DGEDHN C=CCCCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000175080043 432395952 /nfs/dbraw/zinc/39/59/52/432395952.db2.gz XZXBAXNEMVXRBB-GOSISDBHSA-N 0 3 316.445 3.305 20 30 DGEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000184481430 432396207 /nfs/dbraw/zinc/39/62/07/432396207.db2.gz KJJOMGSFIIYVGN-KRWDZBQOSA-N 0 3 300.402 3.112 20 30 DGEDHN C=C[C@H](CC(=O)NCCN1CCC[C@H](C)C1)c1ccccc1 ZINC000153682595 432432306 /nfs/dbraw/zinc/43/23/06/432432306.db2.gz BMDNIWRFHUBJDY-DLBZAZTESA-N 0 3 300.446 3.194 20 30 DGEDHN CC(C)(C#N)CCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000272072459 432440470 /nfs/dbraw/zinc/44/04/70/432440470.db2.gz ZLDQESUKNUUYCB-KRWDZBQOSA-N 0 3 300.402 3.438 20 30 DGEDHN C[C@]1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193062593 432443118 /nfs/dbraw/zinc/44/31/18/432443118.db2.gz PDVYSTYQRTWDDN-FQEVSTJZSA-N 0 3 320.436 3.343 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000192741206 432408608 /nfs/dbraw/zinc/40/86/08/432408608.db2.gz MOTHQVQRUGROFC-DGCLKSJQSA-N 0 3 306.793 3.283 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)cn2C)n1 ZINC000192769468 432411600 /nfs/dbraw/zinc/41/16/00/432411600.db2.gz HDTDQSZHPCVBJG-VIFPVBQESA-N 0 3 324.203 3.043 20 30 DGEDHN CC(C)Oc1ccc(CNC(=N)Nc2cc(F)ccc2F)cn1 ZINC000262287921 432480292 /nfs/dbraw/zinc/48/02/92/432480292.db2.gz MUYWUJIPHOIQGW-UHFFFAOYSA-N 0 3 320.343 3.074 20 30 DGEDHN N#Cc1ccc(CNC2CCN(c3cccs3)CC2)s1 ZINC000154194781 432481332 /nfs/dbraw/zinc/48/13/32/432481332.db2.gz BFAAGNCTIXYUSV-UHFFFAOYSA-N 0 3 303.456 3.440 20 30 DGEDHN C=C(C)CN(CC)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154629178 432510637 /nfs/dbraw/zinc/51/06/37/432510637.db2.gz QQIKMMXRESLYLH-UHFFFAOYSA-N 0 3 319.449 3.365 20 30 DGEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000193959554 432511642 /nfs/dbraw/zinc/51/16/42/432511642.db2.gz WCMQERMPXQVRKF-FUHWJXTLSA-N 0 3 313.445 3.444 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)C2CCN(C3CC3)CC2)cc1 ZINC000194456892 432552609 /nfs/dbraw/zinc/55/26/09/432552609.db2.gz CRWCZZPBNOGMSG-UHFFFAOYSA-N 0 3 311.429 3.116 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000272507149 432513675 /nfs/dbraw/zinc/51/36/75/432513675.db2.gz FNTJAWYILIISAU-LLVKDONJSA-N 0 3 314.223 3.311 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)NC1(c2cccc(C#N)c2)CC1 ZINC000272501157 432514692 /nfs/dbraw/zinc/51/46/92/432514692.db2.gz LLEGDYXMALKNHD-CYBMUJFWSA-N 0 3 300.402 3.257 20 30 DGEDHN N#Cc1c(NC[C@@H](c2ccco2)N2CCCC2)nc2ccccn12 ZINC000272949135 432537123 /nfs/dbraw/zinc/53/71/23/432537123.db2.gz XBXHPJJHICPWLB-HNNXBMFYSA-N 0 3 321.384 3.048 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000176694912 432542821 /nfs/dbraw/zinc/54/28/21/432542821.db2.gz ANFYOVKHNBPBTL-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)c1c(F)cccc1F ZINC000176970546 432571295 /nfs/dbraw/zinc/57/12/95/432571295.db2.gz CGNIPWCGEIQHQH-OAHLLOKOSA-N 0 3 321.396 3.290 20 30 DGEDHN COc1ccc(O[C@H](C)CNCc2ccc(C#N)s2)cc1 ZINC000176978439 432572991 /nfs/dbraw/zinc/57/29/91/432572991.db2.gz CDTBZDSUMCMKDB-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN COc1ccccc1O[C@H](C)CNCc1ccc(C#N)s1 ZINC000176978479 432573225 /nfs/dbraw/zinc/57/32/25/432573225.db2.gz CYJAYODFKFAXAR-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(C(C)C)C(C)C)CC1 ZINC000194830859 432579864 /nfs/dbraw/zinc/57/98/64/432579864.db2.gz LKKUVNGBDSJOHG-UHFFFAOYSA-N 0 3 309.498 3.254 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186311065 432581051 /nfs/dbraw/zinc/58/10/51/432581051.db2.gz PTIGYASIFZTYAQ-MRXNPFEDSA-N 0 3 314.429 3.422 20 30 DGEDHN C=CCOc1cccc(CNC[C@H](c2ccco2)N(C)C)c1 ZINC000194884924 432584036 /nfs/dbraw/zinc/58/40/36/432584036.db2.gz RZKLXVCRPAWFRF-QGZVFWFLSA-N 0 3 300.402 3.237 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCC1=CCN(C)CC1 ZINC000273689348 432626974 /nfs/dbraw/zinc/62/69/74/432626974.db2.gz BCCZPUULDDSPGV-UHFFFAOYSA-N 0 3 310.376 3.228 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000177466618 432627047 /nfs/dbraw/zinc/62/70/47/432627047.db2.gz YRRCGDGKAVYGAF-UHFFFAOYSA-N 0 3 312.457 3.166 20 30 DGEDHN CN(C)CCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000158177694 432639513 /nfs/dbraw/zinc/63/95/13/432639513.db2.gz TZXGZMVUKJSZCO-UHFFFAOYSA-N 0 3 319.836 3.158 20 30 DGEDHN C=CCN1CCC(NC(=O)N(Cc2cccs2)C(C)C)CC1 ZINC000264375068 432640433 /nfs/dbraw/zinc/64/04/33/432640433.db2.gz SCTQDACNOGZEFX-UHFFFAOYSA-N 0 3 321.490 3.319 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)c2OC)CC1 ZINC000264364213 432640846 /nfs/dbraw/zinc/64/08/46/432640846.db2.gz PMFMONQHFSLPDP-UHFFFAOYSA-N 0 3 323.824 3.121 20 30 DGEDHN CCC(CC)(CN[C@H](C)c1ccc(C#N)c(F)c1)C(=O)OC ZINC000274241534 432642298 /nfs/dbraw/zinc/64/22/98/432642298.db2.gz QTUPEIWAHRIANX-GFCCVEGCSA-N 0 3 306.381 3.327 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@H](C)c2ccccc2)CC1 ZINC000264398185 432642460 /nfs/dbraw/zinc/64/24/60/432642460.db2.gz YVTBFHGVGIUYOS-INIZCTEOSA-N 0 3 315.461 3.130 20 30 DGEDHN N#Cc1nc(NC[C@@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000264452999 432648615 /nfs/dbraw/zinc/64/86/15/432648615.db2.gz WAZVAIYKRKHFSI-AWEZNQCLSA-N 0 3 316.792 3.449 20 30 DGEDHN C[C@@H]1COc2ccccc2CN1CCCC1(C#N)CCOCC1 ZINC000281349925 288399958 /nfs/dbraw/zinc/39/99/58/288399958.db2.gz NANQOEOBCYLLAX-MRXNPFEDSA-N 0 3 314.429 3.370 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CCC(C)(C)C#N)C2)C1 ZINC000158591569 432651820 /nfs/dbraw/zinc/65/18/20/432651820.db2.gz JAGBARBRQPSVQF-GOSISDBHSA-N 0 3 321.465 3.259 20 30 DGEDHN C=CCSCCNCc1cccc(Br)c1OC ZINC000187209173 432652501 /nfs/dbraw/zinc/65/25/01/432652501.db2.gz BGJVGMNSWIYLAS-UHFFFAOYSA-N 0 3 316.264 3.467 20 30 DGEDHN CCCN(CCc1cccs1)CC(=O)N(CC)C[C@@H](C)C#N ZINC000274325537 432652926 /nfs/dbraw/zinc/65/29/26/432652926.db2.gz PPFNGVWEYYIQBY-HNNXBMFYSA-N 0 3 321.490 3.011 20 30 DGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)o2)CCN1C(=O)OC(C)(C)C ZINC000219467778 432663772 /nfs/dbraw/zinc/66/37/72/432663772.db2.gz COGGWKCOTDQSTG-CHWSQXEVSA-N 0 3 319.405 3.029 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1 ZINC000187498442 432667380 /nfs/dbraw/zinc/66/73/80/432667380.db2.gz VAKGNQYGQJBMHY-UHFFFAOYSA-N 0 3 309.409 3.216 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000178090203 432693751 /nfs/dbraw/zinc/69/37/51/432693751.db2.gz ZLAKNHCQSAFEMQ-UHFFFAOYSA-N 0 3 319.493 3.390 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000178118093 432696293 /nfs/dbraw/zinc/69/62/93/432696293.db2.gz LCXGKPMVXUMPGZ-AWEZNQCLSA-N 0 3 309.365 3.278 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000187986710 432697025 /nfs/dbraw/zinc/69/70/25/432697025.db2.gz LKTZIPAEDHVDJI-YJBOKZPZSA-N 0 3 315.461 3.161 20 30 DGEDHN N#Cc1cccc(NCC2CCN(Cc3cccs3)CC2)n1 ZINC000265559955 432709371 /nfs/dbraw/zinc/70/93/71/432709371.db2.gz SHCLKUZAZXCJLV-UHFFFAOYSA-N 0 3 312.442 3.339 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000227684848 432712816 /nfs/dbraw/zinc/71/28/16/432712816.db2.gz PHYSOJUUDPJRID-OLZOCXBDSA-N 0 3 303.406 3.122 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000275497211 432726520 /nfs/dbraw/zinc/72/65/20/432726520.db2.gz UNKOAZFGKSWCFO-NWDGAFQWSA-N 0 3 309.360 3.409 20 30 DGEDHN CC[C@]1(CO)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000187572109 432670739 /nfs/dbraw/zinc/67/07/39/432670739.db2.gz KIAXBHVAHLISPB-IBGZPJMESA-N 0 3 300.446 3.472 20 30 DGEDHN C=CCCCCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000274552340 432680781 /nfs/dbraw/zinc/68/07/81/432680781.db2.gz WTRABHLRHNXHMB-CQSZACIVSA-N 0 3 314.351 3.048 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000178561045 432752819 /nfs/dbraw/zinc/75/28/19/432752819.db2.gz XOXFKERZSRKOPA-KBPBESRZSA-N 0 3 314.433 3.109 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CC[C@H](N2CCCCC2)C1 ZINC000266201286 432754560 /nfs/dbraw/zinc/75/45/60/432754560.db2.gz CZCYHPIICHHOPT-INIZCTEOSA-N 0 3 306.413 3.171 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C#N)cc1 ZINC000266511488 432758855 /nfs/dbraw/zinc/75/88/55/432758855.db2.gz XMBPYOPQOMXUAM-KBPBESRZSA-N 0 3 319.408 3.489 20 30 DGEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000266655320 432775443 /nfs/dbraw/zinc/77/54/43/432775443.db2.gz KHJKHCDZXLJREA-ZDUSSCGKSA-N 0 3 305.447 3.217 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000265918800 432744627 /nfs/dbraw/zinc/74/46/27/432744627.db2.gz LZAWKORSFHUCHK-IAGOWNOFSA-N 0 3 315.461 3.257 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncccc1C#N ZINC000267214856 432823195 /nfs/dbraw/zinc/82/31/95/432823195.db2.gz MNTWLFFUGLSPNT-QAPCUYQASA-N 0 3 306.413 3.276 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@@H](O)c1c(F)cccc1F ZINC000267229730 432824145 /nfs/dbraw/zinc/82/41/45/432824145.db2.gz VMRYXNPLBAJNGJ-GDBMZVCRSA-N 0 3 322.380 3.500 20 30 DGEDHN CC[C@H](C)N(CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1 ZINC000245201721 432825294 /nfs/dbraw/zinc/82/52/94/432825294.db2.gz TXANIYIUTIYYGX-SJORKVTESA-N 0 3 315.461 3.295 20 30 DGEDHN C[C@H](NCCOCC(F)(F)C(F)F)c1cccc(C#N)c1 ZINC000276275451 432791504 /nfs/dbraw/zinc/79/15/04/432791504.db2.gz STCVVXNZQIUTTR-JTQLQIEISA-N 0 3 304.287 3.126 20 30 DGEDHN CCc1ccc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000161794891 432798957 /nfs/dbraw/zinc/79/89/57/432798957.db2.gz ZOSVAVPCWGFCSO-AWEZNQCLSA-N 0 3 324.428 3.428 20 30 DGEDHN N#CCCCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000237818667 432802126 /nfs/dbraw/zinc/80/21/26/432802126.db2.gz PGCXIOLYPFFXAX-UHFFFAOYSA-N 0 3 315.398 3.322 20 30 DGEDHN Cn1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000267108447 432813687 /nfs/dbraw/zinc/81/36/87/432813687.db2.gz QSRJTPZJGKFPFC-UHFFFAOYSA-N 0 3 319.412 3.092 20 30 DGEDHN C=CCCN(C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000276517297 432814691 /nfs/dbraw/zinc/81/46/91/432814691.db2.gz YJCOYSBMORQNKW-CQSZACIVSA-N 0 3 300.402 3.460 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCC34CCCC4)C2=O)cc1 ZINC000329928938 432883534 /nfs/dbraw/zinc/88/35/34/432883534.db2.gz MYXMWAUQRNXSKL-MSOLQXFVSA-N 0 3 323.440 3.366 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)CN(C)C ZINC000288044714 432883877 /nfs/dbraw/zinc/88/38/77/432883877.db2.gz ORFXAYQYOVNPKP-NSHDSACASA-N 0 3 315.870 3.049 20 30 DGEDHN C#C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000288144306 432888097 /nfs/dbraw/zinc/88/80/97/432888097.db2.gz JEZJRHUVZWWOEH-SFHVURJKSA-N 0 3 312.457 3.063 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288226147 432890477 /nfs/dbraw/zinc/89/04/77/432890477.db2.gz FAKLTUTUDHDVNJ-OAQYLSRUSA-N 0 3 324.468 3.305 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000288371541 432890954 /nfs/dbraw/zinc/89/09/54/432890954.db2.gz FCSLCADFSJEJJB-LPHOPBHVSA-N 0 3 313.445 3.049 20 30 DGEDHN CC1(C)CCCN(CCNC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC000330086525 432891793 /nfs/dbraw/zinc/89/17/93/432891793.db2.gz MHJIJDFYIGIDGD-UHFFFAOYSA-N 0 3 314.433 3.184 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000288494678 432894072 /nfs/dbraw/zinc/89/40/72/432894072.db2.gz HLXHLLCVSKQRBR-OXQOHEQNSA-N 0 3 309.409 3.300 20 30 DGEDHN Clc1cccc(C#CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296305045 432894209 /nfs/dbraw/zinc/89/42/09/432894209.db2.gz ZZSVDNCISQTVNL-BBWFWOEESA-N 0 3 301.817 3.239 20 30 DGEDHN C[C@@H]1CN(CCCNc2ccc(Cl)cc2C#N)CCCO1 ZINC000277345921 432840166 /nfs/dbraw/zinc/84/01/66/432840166.db2.gz DEJDUYCTZVGMGJ-CYBMUJFWSA-N 0 3 307.825 3.124 20 30 DGEDHN C=C[C@@H](CC(=O)NCCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000245610958 432849596 /nfs/dbraw/zinc/84/95/96/432849596.db2.gz BMDNIWRFHUBJDY-SJORKVTESA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000268175023 432852189 /nfs/dbraw/zinc/85/21/89/432852189.db2.gz JVSFAHADAUDSOD-UHFFFAOYSA-N 0 3 316.449 3.247 20 30 DGEDHN CCc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000279264899 432950709 /nfs/dbraw/zinc/95/07/09/432950709.db2.gz INKROQQNQXCEKA-HNNXBMFYSA-N 0 3 323.421 3.181 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000289297215 432942042 /nfs/dbraw/zinc/94/20/42/432942042.db2.gz HWMIRZGFZZFYGY-QGZVFWFLSA-N 0 3 314.429 3.015 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000278657788 432897594 /nfs/dbraw/zinc/89/75/94/432897594.db2.gz AUOBZGSJAMGIDL-RDJZCZTQSA-N 0 3 313.445 3.096 20 30 DGEDHN CCC1(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCCC1 ZINC000330195115 432897654 /nfs/dbraw/zinc/89/76/54/432897654.db2.gz PAXHQLGDQPLCKO-CQSZACIVSA-N 0 3 304.438 3.062 20 30 DGEDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000330204585 432897947 /nfs/dbraw/zinc/89/79/47/432897947.db2.gz BSXIIBLQVRKPGB-ZFWWWQNUSA-N 0 3 312.772 3.224 20 30 DGEDHN CC(=O)N[C@H](CC1CCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000330225528 432899102 /nfs/dbraw/zinc/89/91/02/432899102.db2.gz TVWMPZFOFLBIBN-MRXNPFEDSA-N 0 3 307.438 3.105 20 30 DGEDHN C[C@H]1CCN(C(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000279248487 432950084 /nfs/dbraw/zinc/95/00/84/432950084.db2.gz KYYVLXDYLXIQMZ-INIZCTEOSA-N 0 3 313.445 3.049 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(OCCCOC)cc2)cc1 ZINC000289614489 432969090 /nfs/dbraw/zinc/96/90/90/432969090.db2.gz VYSDOMCHFWZJHB-UHFFFAOYSA-N 0 3 309.409 3.373 20 30 DGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)c2ccc(OC)cc2)n1 ZINC000279465057 432971531 /nfs/dbraw/zinc/97/15/31/432971531.db2.gz UWFHQIALOXJDQQ-MRXNPFEDSA-N 0 3 311.429 3.151 20 30 DGEDHN C=C[C@@H](CO)N[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000289995595 432983404 /nfs/dbraw/zinc/98/34/04/432983404.db2.gz YTGMGEHBJPCNSE-JQWIXIFHSA-N 0 3 306.406 3.455 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000297617333 433000875 /nfs/dbraw/zinc/00/08/75/433000875.db2.gz XICRZOFZXPTERL-INIZCTEOSA-N 0 3 321.490 3.229 20 30 DGEDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279266674 432951841 /nfs/dbraw/zinc/95/18/41/432951841.db2.gz MVVNNTJTXCCCGS-SMDDNHRTSA-N 0 3 305.809 3.318 20 30 DGEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000280302762 433030526 /nfs/dbraw/zinc/03/05/26/433030526.db2.gz MZPAQGYELNAPII-RHSMWYFYSA-N 0 3 309.413 3.135 20 30 DGEDHN C=CCc1cc(CN2CCCC[C@H]2C[C@@H](C)O)cc(OC)c1O ZINC000280435978 433051531 /nfs/dbraw/zinc/05/15/31/433051531.db2.gz JXTXFLMWPFAXSL-PBHICJAKSA-N 0 3 319.445 3.255 20 30 DGEDHN CN(C)CCN(C(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000284721288 289125270 /nfs/dbraw/zinc/12/52/70/289125270.db2.gz RJPSSZWJWVJVDO-UHFFFAOYSA-N 0 3 317.408 3.034 20 30 DGEDHN Cc1cc(C)c(C#N)c(NCc2ccccc2OCCN(C)C)n1 ZINC000290485915 433063742 /nfs/dbraw/zinc/06/37/42/433063742.db2.gz BWCAIXMHHVGZRG-UHFFFAOYSA-N 0 3 324.428 3.123 20 30 DGEDHN CSc1ccccc1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000280504410 433064767 /nfs/dbraw/zinc/06/47/67/433064767.db2.gz QZDGXNCXDXWQGT-KRWDZBQOSA-N 0 3 312.438 3.446 20 30 DGEDHN C#CCCOc1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000372978985 433071573 /nfs/dbraw/zinc/07/15/73/433071573.db2.gz SZVQPXBZJZGZHT-NRFANRHFSA-N 0 3 320.436 3.365 20 30 DGEDHN CC[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280567259 433088096 /nfs/dbraw/zinc/08/80/96/433088096.db2.gz VHPNHKBGGLACIH-FHLIZLRMSA-N 0 3 309.413 3.326 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453366393 433127117 /nfs/dbraw/zinc/12/71/17/433127117.db2.gz SXAUXPHYWVFKQC-ZACQAIPSSA-N 0 3 302.374 3.295 20 30 DGEDHN C=CCN1CCC([NH2+]Cc2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000298431095 433137819 /nfs/dbraw/zinc/13/78/19/433137819.db2.gz MZEPKCUNRLJZCF-UHFFFAOYSA-N 0 3 324.852 3.184 20 30 DGEDHN CC[C@H](CC(F)(F)F)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000354546499 433144069 /nfs/dbraw/zinc/14/40/69/433144069.db2.gz OVXQWMZMFSFGSE-VXGBXAGGSA-N 0 3 319.371 3.038 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453344385 433106396 /nfs/dbraw/zinc/10/63/96/433106396.db2.gz HEOQIXPSEXIQSB-CZUORRHYSA-N 0 3 317.408 3.298 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1cccc(C#N)c1C ZINC000350185284 433107755 /nfs/dbraw/zinc/10/77/55/433107755.db2.gz ARCBPGRYRKEICS-UHFFFAOYSA-N 0 3 314.433 3.206 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2cc(Cl)ccc2n1C ZINC000280621826 433110808 /nfs/dbraw/zinc/11/08/08/433110808.db2.gz LCOACISLXOZPSC-PXAZEXFGSA-N 0 3 319.836 3.298 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000280618738 433111941 /nfs/dbraw/zinc/11/19/41/433111941.db2.gz KTSXQFQIJQILQN-MAUKXSAKSA-N 0 3 305.418 3.252 20 30 DGEDHN C#CCCCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280752014 433159067 /nfs/dbraw/zinc/15/90/67/433159067.db2.gz NJYKYOVNJKKQBF-ZDUSSCGKSA-N 0 3 305.727 3.395 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC(C)C)CC2)CCCCC1 ZINC000373763290 433161048 /nfs/dbraw/zinc/16/10/48/433161048.db2.gz NUHTVHUCCWPRIM-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)CCOc2cccc(C#N)c2)C12CCC2 ZINC000341617018 433167437 /nfs/dbraw/zinc/16/74/37/433167437.db2.gz DOXGSMXZUGKKKI-MSOLQXFVSA-N 0 3 314.429 3.217 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000280779288 433168218 /nfs/dbraw/zinc/16/82/18/433168218.db2.gz IEOTUSDJHVQXPH-XKQJLSEDSA-N 0 3 311.372 3.223 20 30 DGEDHN CC(C)[C@](C)(NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O ZINC000298553644 433175989 /nfs/dbraw/zinc/17/59/89/433175989.db2.gz OKUKRCZLAXIBCS-FQEVSTJZSA-N 0 3 321.424 3.215 20 30 DGEDHN COc1cc(CN2CCC(Cc3cccnc3)CC2)ccc1C#N ZINC000374207132 433179964 /nfs/dbraw/zinc/17/99/64/433179964.db2.gz WBMJGEJHGCYTHT-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C=C(C)COc1cc(CN2CCC3(CCO3)CC2)ccc1OC ZINC000374373573 433188698 /nfs/dbraw/zinc/18/86/98/433188698.db2.gz SLWBKPHQBMSRFL-UHFFFAOYSA-N 0 3 317.429 3.405 20 30 DGEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000447379743 433192969 /nfs/dbraw/zinc/19/29/69/433192969.db2.gz CEWNATFAVQOAKU-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000447393114 433193639 /nfs/dbraw/zinc/19/36/39/433193639.db2.gz DRHRNGPAZPDNEL-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c(F)c1 ZINC000425376638 433214301 /nfs/dbraw/zinc/21/43/01/433214301.db2.gz YFBPPRHGBADUDY-GOSISDBHSA-N 0 3 314.404 3.478 20 30 DGEDHN C=CCN1CC[C@@H](N(C)[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337245290 433219115 /nfs/dbraw/zinc/21/91/15/433219115.db2.gz OEDLGXXOHXHPRO-SJORKVTESA-N 0 3 304.409 3.242 20 30 DGEDHN COC(=O)c1cccc2c1CCN(CC(C)(C)CCC#N)C2 ZINC000453601626 433232102 /nfs/dbraw/zinc/23/21/02/433232102.db2.gz ULEJMUODGXVFMC-UHFFFAOYSA-N 0 3 300.402 3.161 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000298794664 433248795 /nfs/dbraw/zinc/24/87/95/433248795.db2.gz DPRCYPXOIBKQHL-NWDGAFQWSA-N 0 3 300.328 3.231 20 30 DGEDHN COc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1OCCCC#N ZINC000453630685 433252133 /nfs/dbraw/zinc/25/21/33/433252133.db2.gz MIYWVDLBAMRJSC-ZBFHGGJFSA-N 0 3 318.417 3.035 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)NC)cc1 ZINC000298816542 433253811 /nfs/dbraw/zinc/25/38/11/433253811.db2.gz XUYXVAUFLAKAIM-UHFFFAOYSA-N 0 3 321.424 3.330 20 30 DGEDHN CCCCO[C@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000361580654 433259892 /nfs/dbraw/zinc/25/98/92/433259892.db2.gz ZYVMEWFPPNFVRR-IRXDYDNUSA-N 0 3 303.450 3.312 20 30 DGEDHN C#Cc1ccccc1CC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000291540135 433265102 /nfs/dbraw/zinc/26/51/02/433265102.db2.gz XKJAEWHCWOWAOX-UHFFFAOYSA-N 0 3 306.409 3.219 20 30 DGEDHN CCN(Cc1cccc(C(N)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000299085324 433313969 /nfs/dbraw/zinc/31/39/69/433313969.db2.gz SCOIMEZIDGIVSY-CQSZACIVSA-N 0 3 307.397 3.240 20 30 DGEDHN CCOC(=O)[C@H]1CC[C@@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000338785491 433322096 /nfs/dbraw/zinc/32/20/96/433322096.db2.gz BXYMALMLEFRHNO-DLBZAZTESA-N 0 3 312.413 3.452 20 30 DGEDHN C=CCOc1ccc(CN2CCN(CC(C)C)CC2)cc1OC ZINC000338149032 433280413 /nfs/dbraw/zinc/28/04/13/433280413.db2.gz GAGJOKLCUAMBLV-UHFFFAOYSA-N 0 3 318.461 3.034 20 30 DGEDHN C=CCOCCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425516598 433280853 /nfs/dbraw/zinc/28/08/53/433280853.db2.gz SRRDUWYJWGDJAY-UHFFFAOYSA-N 0 3 306.475 3.404 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC1CCN(C)CC1 ZINC000291595050 433282362 /nfs/dbraw/zinc/28/23/62/433282362.db2.gz WRBOZQQVSFORNU-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000425530340 433285215 /nfs/dbraw/zinc/28/52/15/433285215.db2.gz DWRHUQOOJTZTDV-KUHUBIRLSA-N 0 3 312.388 3.294 20 30 DGEDHN CCN(CC1(CC(=O)OC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000281423277 433297426 /nfs/dbraw/zinc/29/74/26/433297426.db2.gz IGEPGDZJLYTFOR-AWEZNQCLSA-N 0 3 300.402 3.284 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2ccc(C#N)s2)C1 ZINC000281395497 433297945 /nfs/dbraw/zinc/29/79/45/433297945.db2.gz XCZFLEPDZWGXEO-ZFVVBOAOSA-N 0 3 304.459 3.381 20 30 DGEDHN C=C(C)[C@H](NCCCC(=O)NCCC)c1ccc(F)c(F)c1 ZINC000299184432 433344894 /nfs/dbraw/zinc/34/48/94/433344894.db2.gz BLMDJRNNJUASSQ-KRWDZBQOSA-N 0 3 310.388 3.478 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@]2(C)Cc2ccc(F)cc2)C1=O ZINC000420934406 433330669 /nfs/dbraw/zinc/33/06/69/433330669.db2.gz XHXSTDRWEYUVRF-MJGOQNOKSA-N 0 3 316.420 3.010 20 30 DGEDHN CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000413980109 433333076 /nfs/dbraw/zinc/33/30/76/433333076.db2.gz CMQMNXVSOFKFPK-KGLIPLIRSA-N 0 3 312.335 3.462 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000454246277 433340380 /nfs/dbraw/zinc/34/03/80/433340380.db2.gz YVNQCULGSXLWKB-KRWDZBQOSA-N 0 3 301.434 3.089 20 30 DGEDHN CN(CCNc1ncc(C#N)cc1Cl)Cc1ccccc1 ZINC000339137491 433387687 /nfs/dbraw/zinc/38/76/87/433387687.db2.gz SISSNSFRWSQKIQ-UHFFFAOYSA-N 0 3 300.793 3.151 20 30 DGEDHN COc1cc(CN[C@@H](C)C[C@H](O)c2cccs2)ccc1C#N ZINC000281816444 433392154 /nfs/dbraw/zinc/39/21/54/433392154.db2.gz WNFWGEIPTUUWTO-WFASDCNBSA-N 0 3 316.426 3.230 20 30 DGEDHN CC(C)[C@H](CNc1ccc(C#N)cn1)N1CCc2ccccc2C1 ZINC000301063520 433398867 /nfs/dbraw/zinc/39/88/67/433398867.db2.gz CCKJQVQPAHQKGT-IBGZPJMESA-N 0 3 320.440 3.448 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000454411510 433415791 /nfs/dbraw/zinc/41/57/91/433415791.db2.gz HZQCNJUGNXMNIA-HNNXBMFYSA-N 0 3 321.490 3.226 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000454416879 433419796 /nfs/dbraw/zinc/41/97/96/433419796.db2.gz YGBMUDBNBJNQLH-HNNXBMFYSA-N 0 3 321.490 3.226 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000454460356 433438357 /nfs/dbraw/zinc/43/83/57/433438357.db2.gz IDNDEOFCPFEUED-AEFFLSMTSA-N 0 3 307.482 3.151 20 30 DGEDHN COc1ccccc1CN(C)CCCC1(C#N)CCOCC1 ZINC000281985367 433458392 /nfs/dbraw/zinc/45/83/92/433458392.db2.gz MIBHICGCMLVGKR-UHFFFAOYSA-N 0 3 302.418 3.228 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000448638129 433465863 /nfs/dbraw/zinc/46/58/63/433465863.db2.gz KSJCGKWNOKKCBJ-KRWDZBQOSA-N 0 3 318.461 3.407 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC(C)(C)C2)CC1 ZINC000454548222 433474998 /nfs/dbraw/zinc/47/49/98/433474998.db2.gz POMFKTVHMJNGNS-HNNXBMFYSA-N 0 3 307.482 3.152 20 30 DGEDHN COCCNc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421324056 433478272 /nfs/dbraw/zinc/47/82/72/433478272.db2.gz JHUSRDKINPYFID-UHFFFAOYSA-N 0 3 313.376 3.045 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000454556953 433481664 /nfs/dbraw/zinc/48/16/64/433481664.db2.gz ZOROEJPRBWMJEC-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN CC(C)[C@H](CNc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000301281350 433486234 /nfs/dbraw/zinc/48/62/34/433486234.db2.gz OJUVJTXZHSXLDE-IBGZPJMESA-N 0 3 320.440 3.448 20 30 DGEDHN CC[C@H]1CCCCN1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301301475 433498670 /nfs/dbraw/zinc/49/86/70/433498670.db2.gz XVNFTBKUXFAVOT-AWEZNQCLSA-N 0 3 302.378 3.143 20 30 DGEDHN COCCN(Cc1cn2ccccc2c1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000362171068 433561309 /nfs/dbraw/zinc/56/13/09/433561309.db2.gz VSQIMSAOFCQCNI-NVXWUHKLSA-N 0 3 311.429 3.448 20 30 DGEDHN Cc1nsc(NC[C@H](C)N(C)Cc2ccccc2)c1C#N ZINC000342223745 433546672 /nfs/dbraw/zinc/54/66/72/433546672.db2.gz NCVCAOOVKKKYAS-LBPRGKRZSA-N 0 3 300.431 3.256 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000375846481 433593369 /nfs/dbraw/zinc/59/33/69/433593369.db2.gz JFXOLKYMALBHLI-HXUWFJFHSA-N 0 3 323.440 3.468 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000427003308 433640769 /nfs/dbraw/zinc/64/07/69/433640769.db2.gz VMZSJFSMAKQFAA-GOSISDBHSA-N 0 3 300.446 3.291 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000448984777 433641725 /nfs/dbraw/zinc/64/17/25/433641725.db2.gz UCYNVFKVRVTLSV-UHFFFAOYSA-N 0 3 300.446 3.322 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3C[C@@H]4CCCC[C@H]4C3)o2)c1 ZINC000426777682 433595537 /nfs/dbraw/zinc/59/55/37/433595537.db2.gz PKJHMJAJHRCQRB-HOTGVXAUSA-N 0 3 308.385 3.230 20 30 DGEDHN COC[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000342301907 433601136 /nfs/dbraw/zinc/60/11/36/433601136.db2.gz NJGDXZRDTAIBJI-GOSISDBHSA-N 0 3 314.360 3.053 20 30 DGEDHN COc1ccc(CNC[C@H](O)c2cc(C)cc(C)c2)cc1C#N ZINC000283091719 433662341 /nfs/dbraw/zinc/66/23/41/433662341.db2.gz WNWLMQXQSLGBLK-SFHVURJKSA-N 0 3 310.397 3.007 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000362389350 433680991 /nfs/dbraw/zinc/68/09/91/433680991.db2.gz OGKZEAIMKVCKAX-HNNXBMFYSA-N 0 3 318.486 3.426 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN1CCCCC1 ZINC000362387023 433681289 /nfs/dbraw/zinc/68/12/89/433681289.db2.gz LGLCHHMELZZQFI-UHFFFAOYSA-N 0 3 304.459 3.180 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421710958 433699721 /nfs/dbraw/zinc/69/97/21/433699721.db2.gz NGLWQXZNRVAXBF-CQSZACIVSA-N 0 3 304.459 3.131 20 30 DGEDHN C=CCCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000356802033 433703372 /nfs/dbraw/zinc/70/33/72/433703372.db2.gz GCRYVKLGIBNNFQ-AEFFLSMTSA-N 0 3 312.457 3.370 20 30 DGEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCOCCC#N ZINC000293445010 433741048 /nfs/dbraw/zinc/74/10/48/433741048.db2.gz CENITBZIZSMTKH-RDJZCZTQSA-N 0 3 302.418 3.398 20 30 DGEDHN C=C[C@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000362591460 433778367 /nfs/dbraw/zinc/77/83/67/433778367.db2.gz IVURITVTSIGQFT-HOTGVXAUSA-N 0 3 300.446 3.020 20 30 DGEDHN CC[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000351978152 433832900 /nfs/dbraw/zinc/83/29/00/433832900.db2.gz NAEKYWGEDPOGAZ-YJBOKZPZSA-N 0 3 311.429 3.176 20 30 DGEDHN CC[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000343907576 433833177 /nfs/dbraw/zinc/83/31/77/433833177.db2.gz AMIFJTRTPQRSNK-MAUKXSAKSA-N 0 3 311.429 3.176 20 30 DGEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)[C@@H]1[C@H]1CCCO1 ZINC000351984396 433835407 /nfs/dbraw/zinc/83/54/07/433835407.db2.gz XOZSIOCDBMUPST-QZTJIDSGSA-N 0 3 314.429 3.217 20 30 DGEDHN CC(C#N)C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000344527213 433869450 /nfs/dbraw/zinc/86/94/50/433869450.db2.gz KLNZZSNHECGLNE-TVQRCGJNSA-N 0 3 321.218 3.348 20 30 DGEDHN COc1cc([C@H](C)NCCOCCC#N)ccc1OCC(C)C ZINC000293855266 433895916 /nfs/dbraw/zinc/89/59/16/433895916.db2.gz RLPHVSMLBVLVTD-HNNXBMFYSA-N 0 3 320.433 3.311 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1OC ZINC000284999343 433913859 /nfs/dbraw/zinc/91/38/59/433913859.db2.gz JHKODPKCBFVFNZ-IAGOWNOFSA-N 0 3 317.429 3.403 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1cncnc1 ZINC000436307449 433933286 /nfs/dbraw/zinc/93/32/86/433933286.db2.gz KENRBUMPZLIKQJ-WDSOQIARSA-N 0 3 309.413 3.137 20 30 DGEDHN CCC[C@H](C)C(=O)NCCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000293836830 433887311 /nfs/dbraw/zinc/88/73/11/433887311.db2.gz XNJPTIOXVAXTDL-YOEHRIQHSA-N 0 3 301.434 3.151 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436141909 433890282 /nfs/dbraw/zinc/89/02/82/433890282.db2.gz YBJYNZZDRYNYFO-CJNGLKHVSA-N 0 3 323.396 3.025 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000284438754 433894922 /nfs/dbraw/zinc/89/49/22/433894922.db2.gz SOFWURZMJNUVLI-SQWLQELKSA-N 0 3 320.458 3.213 20 30 DGEDHN Cc1cccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000457076053 433971012 /nfs/dbraw/zinc/97/10/12/433971012.db2.gz JHOXQAMGSINGPT-HNAYVOBHSA-N 0 3 317.392 3.426 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457089201 433979336 /nfs/dbraw/zinc/97/93/36/433979336.db2.gz LBQOAZPKXPDUIQ-SJLPKXTDSA-N 0 3 300.446 3.287 20 30 DGEDHN Cn1cc(CNCC(C)(C)Oc2cc(F)cc(F)c2)cc1C#N ZINC000285526791 433981076 /nfs/dbraw/zinc/98/10/76/433981076.db2.gz KOYCKRBSHHOBJD-UHFFFAOYSA-N 0 3 319.355 3.122 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCOCC1CCCC1 ZINC000457135991 434007818 /nfs/dbraw/zinc/00/78/18/434007818.db2.gz QACCDWYXHUTZOY-GOSISDBHSA-N 0 3 314.429 3.082 20 30 DGEDHN CN(C)[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1cccs1 ZINC000450213711 434030539 /nfs/dbraw/zinc/03/05/39/434030539.db2.gz GOCAAMVEEDNBLC-ZDUSSCGKSA-N 0 3 316.386 3.243 20 30 DGEDHN CC1(C)CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000294191965 434035848 /nfs/dbraw/zinc/03/58/48/434035848.db2.gz OXWUICOVOJCACY-DLBZAZTESA-N 0 3 309.413 3.183 20 30 DGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(C#N)ccc1Cl ZINC000285687517 434040430 /nfs/dbraw/zinc/04/04/30/434040430.db2.gz BVEWZMPYAYQJAU-LBPRGKRZSA-N 0 3 319.836 3.014 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C(C)C)c(O)cc2C)CC1 ZINC000436544794 434000474 /nfs/dbraw/zinc/00/04/74/434000474.db2.gz MCKDNBOVLTXRAI-UHFFFAOYSA-N 0 3 316.445 3.204 20 30 DGEDHN COC[C@H](Cc1ccccc1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353277831 434074822 /nfs/dbraw/zinc/07/48/22/434074822.db2.gz VWOUWCSJTOOGKK-ICSRJNTNSA-N 0 3 306.409 3.393 20 30 DGEDHN CSc1ccc([C@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000294300059 434075411 /nfs/dbraw/zinc/07/54/11/434075411.db2.gz YKDXNNJFYRNQJX-INIZCTEOSA-N 0 3 312.442 3.390 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN[C@]1(CO)CCc2ccccc21 ZINC000305734788 434080848 /nfs/dbraw/zinc/08/08/48/434080848.db2.gz OYTQIZOPDVQFFS-NRFANRHFSA-N 0 3 320.436 3.411 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC(=O)c2ccccc21 ZINC000416202945 434058173 /nfs/dbraw/zinc/05/81/73/434058173.db2.gz WSDVTSWFIZSBMT-CRAIPNDOSA-N 0 3 318.376 3.203 20 30 DGEDHN CC[C@H]1CCCCN1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450328040 434105030 /nfs/dbraw/zinc/10/50/30/434105030.db2.gz FYNURVJJIRROLE-AWEZNQCLSA-N 0 3 302.378 3.143 20 30 DGEDHN CN(C)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000353413254 434116975 /nfs/dbraw/zinc/11/69/75/434116975.db2.gz OZRJUXGMEUGEES-IRXDYDNUSA-N 0 3 311.454 3.500 20 30 DGEDHN C=CCCOCCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294540392 434118819 /nfs/dbraw/zinc/11/88/19/434118819.db2.gz AJKXNLFANHTADE-OAHLLOKOSA-N 0 3 318.417 3.277 20 30 DGEDHN C[C@@H](NCCN1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000346189268 434183130 /nfs/dbraw/zinc/18/31/30/434183130.db2.gz LRHYDBOTASFGHT-OAHLLOKOSA-N 0 3 323.415 3.406 20 30 DGEDHN Cc1cc(C#N)nc(NC2CCN(Cc3ccccc3C)CC2)n1 ZINC000286247971 434210166 /nfs/dbraw/zinc/21/01/66/434210166.db2.gz INIRCXODZGRRTD-UHFFFAOYSA-N 0 3 321.428 3.042 20 30 DGEDHN C=CCC[C@H](NCCc1cn2c(n1)SCC2)c1ccco1 ZINC000286364323 434247952 /nfs/dbraw/zinc/24/79/52/434247952.db2.gz ZWGBFEIJUILAIZ-AWEZNQCLSA-N 0 3 303.431 3.421 20 30 DGEDHN C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCN(C2CC2)C1 ZINC000450550981 434256286 /nfs/dbraw/zinc/25/62/86/434256286.db2.gz ZFVXTBOJPLIDTI-CQSZACIVSA-N 0 3 306.413 3.027 20 30 DGEDHN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccncc1F ZINC000353599783 434260911 /nfs/dbraw/zinc/26/09/11/434260911.db2.gz XODOVNBOYXFSIT-CQSZACIVSA-N 0 3 324.403 3.412 20 30 DGEDHN C#CCN(Cc1ccccc1)C(=O)c1ccc(CN(C)C)cc1 ZINC000286552016 434276815 /nfs/dbraw/zinc/27/68/15/434276815.db2.gz OWDUEOXWVNMCQR-UHFFFAOYSA-N 0 3 306.409 3.024 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCC1 ZINC000364366714 434270237 /nfs/dbraw/zinc/27/02/37/434270237.db2.gz BVLCVOIXROELBZ-GOSISDBHSA-N 0 3 312.457 3.466 20 30 DGEDHN COc1cc(CNC2CC(OCc3ccccc3)C2)ccc1C#N ZINC000353612027 434270843 /nfs/dbraw/zinc/27/08/43/434270843.db2.gz QFWGNXMRQSOTNA-UHFFFAOYSA-N 0 3 322.408 3.404 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc(C#N)cc1 ZINC000286303867 434223525 /nfs/dbraw/zinc/22/35/25/434223525.db2.gz WWVGZWZHRNFKFZ-CHWSQXEVSA-N 0 3 321.380 3.301 20 30 DGEDHN CCCCN(CCOC)Cc1ccc(C#N)cc1OC(F)F ZINC000437154742 434225496 /nfs/dbraw/zinc/22/54/96/434225496.db2.gz NBRGQGDGYYZLPO-UHFFFAOYSA-N 0 3 312.360 3.408 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)NC(C)(C)c1cccs1 ZINC000348311388 434287253 /nfs/dbraw/zinc/28/72/53/434287253.db2.gz BUIFNCYJOMPARQ-LRDDRELGSA-N 0 3 307.463 3.016 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348265484 434289677 /nfs/dbraw/zinc/28/96/77/434289677.db2.gz DYUMVRLOGFTNRY-IIDMSEBBSA-N 0 3 309.413 3.278 20 30 DGEDHN Cc1nn(-c2ccccn2)c(Cl)c1CNCCCCC#N ZINC000286755163 434290251 /nfs/dbraw/zinc/29/02/51/434290251.db2.gz YZDYFDFRWISCDV-UHFFFAOYSA-N 0 3 303.797 3.013 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](O)CC(C)(C)C2)cc1OC ZINC000295286529 434291517 /nfs/dbraw/zinc/29/15/17/434291517.db2.gz TZPPMSQSIODXPA-INIZCTEOSA-N 0 3 319.445 3.243 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)NC1CCCCC1 ZINC000328677381 434296304 /nfs/dbraw/zinc/29/63/04/434296304.db2.gz LYVZJIMVOYPTQH-ARLBYUKCSA-N 0 3 306.450 3.211 20 30 DGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)CN(C)C ZINC000286884095 434297595 /nfs/dbraw/zinc/29/75/95/434297595.db2.gz DRCYMDYXLLDSTE-QWHCGFSZSA-N 0 3 320.462 3.152 20 30 DGEDHN C[S@](=O)Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353643560 434300232 /nfs/dbraw/zinc/30/02/32/434300232.db2.gz WWJCOWSZPHWKDM-XXBNENTESA-N 0 3 324.449 3.214 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@@H]2CCC(=O)NC23CCC3)c(F)c1 ZINC000328716353 434302015 /nfs/dbraw/zinc/30/20/15/434302015.db2.gz UANRQPRBHAVCMR-CQSZACIVSA-N 0 3 319.380 3.353 20 30 DGEDHN Cn1cc([C@@H](NC(=O)C2CCN(C3CC3)CC2)C(C)(C)C)cn1 ZINC000328767738 434310911 /nfs/dbraw/zinc/31/09/11/434310911.db2.gz PYHHGNXOCBUGLK-MRXNPFEDSA-N 0 3 318.465 3.338 20 30 DGEDHN C=CCN1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328787825 434312806 /nfs/dbraw/zinc/31/28/06/434312806.db2.gz XGXXYVHXJYBEOD-UHFFFAOYSA-N 0 3 303.406 3.287 20 30 DGEDHN C=CCC[C@@H](CC)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287260225 434316561 /nfs/dbraw/zinc/31/65/61/434316561.db2.gz ILKRVBPCGLPLCA-NVXWUHKLSA-N 0 3 304.434 3.331 20 30 DGEDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000328859135 434322392 /nfs/dbraw/zinc/32/23/92/434322392.db2.gz ACBVQAWYBSAZLS-CZUORRHYSA-N 0 3 323.343 3.040 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)c(F)c1 ZINC000328906629 434325841 /nfs/dbraw/zinc/32/58/41/434325841.db2.gz KXKYEYPHCMJOEJ-YOEHRIQHSA-N 0 3 319.380 3.209 20 30 DGEDHN N#Cc1ccccc1OCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000437516307 434277562 /nfs/dbraw/zinc/27/75/62/434277562.db2.gz PKIAFENSBIXKTN-NVXWUHKLSA-N 0 3 302.443 3.297 20 30 DGEDHN CC(C)c1cc(C(=O)NCC2=CCN(C)CC2)nn1C(C)(C)C ZINC000329215462 434375451 /nfs/dbraw/zinc/37/54/51/434375451.db2.gz MSHQCKJFESUBBF-UHFFFAOYSA-N 0 3 318.465 3.328 20 30 DGEDHN CN1CCC(CCO)(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000329283551 434385647 /nfs/dbraw/zinc/38/56/47/434385647.db2.gz NMFRDZLSWWUAJY-GVDBMIGSSA-N 0 3 322.493 3.396 20 30 DGEDHN Cc1nc(NC[C@@H](C(C)C)N2CCCC2)c(Cl)cc1C#N ZINC000359843049 434444393 /nfs/dbraw/zinc/44/43/93/434444393.db2.gz QMKFXIBDZDEDJT-HNNXBMFYSA-N 0 3 306.841 3.447 20 30 DGEDHN Cc1nsc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000329371683 434402186 /nfs/dbraw/zinc/40/21/86/434402186.db2.gz KDSXHKNVCGIIMP-SWLSCSKDSA-N 0 3 312.442 3.398 20 30 DGEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450866168 434448530 /nfs/dbraw/zinc/44/85/30/434448530.db2.gz SYUQMRBTVHDYIW-ZACQAIPSSA-N 0 3 300.377 3.135 20 30 DGEDHN CCN1CCC[C@@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329514625 434425713 /nfs/dbraw/zinc/42/57/13/434425713.db2.gz OEJAMQNDDUUHBG-MRXNPFEDSA-N 0 3 318.465 3.486 20 30 DGEDHN C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1cccc(C#N)c1 ZINC000353792486 434436044 /nfs/dbraw/zinc/43/60/44/434436044.db2.gz HCYLMFUEONBRMR-JLCFBVMHSA-N 0 3 312.438 3.288 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000366529902 434441826 /nfs/dbraw/zinc/44/18/26/434441826.db2.gz NPIOLZINSMFMNW-YJBOKZPZSA-N 0 3 314.429 3.226 20 30 DGEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@@H]1C1CCCC1 ZINC000329896337 434498548 /nfs/dbraw/zinc/49/85/48/434498548.db2.gz KVJMLKGDCPUTMH-GOEBONIOSA-N 0 3 316.449 3.014 20 30 DGEDHN CN1CCC[C@H](CNC(=O)Cc2ccon2)[C@H]1c1cccs1 ZINC000329879043 434499371 /nfs/dbraw/zinc/49/93/71/434499371.db2.gz LRXVZABJBALLBD-WBMJQRKESA-N 0 3 319.430 3.318 20 30 DGEDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCCC(=O)N1 ZINC000329888884 434500501 /nfs/dbraw/zinc/50/05/01/434500501.db2.gz ZNFJBCAZXWBJBZ-HOTGVXAUSA-N 0 3 315.417 3.117 20 30 DGEDHN CCCCCCCCCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366590904 434455826 /nfs/dbraw/zinc/45/58/26/434455826.db2.gz SQBXYTSGFKEALU-GOSISDBHSA-N 0 3 324.509 3.497 20 30 DGEDHN CC[C@@H](NCCn1cnc(C#N)n1)c1ccc(Cl)cc1Cl ZINC000353988466 434560103 /nfs/dbraw/zinc/56/01/03/434560103.db2.gz VXVOOKRZMFOBHW-CYBMUJFWSA-N 0 3 324.215 3.197 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C3CCCCC3)C2)CC1 ZINC000458328849 434540384 /nfs/dbraw/zinc/54/03/84/434540384.db2.gz XRVXVSUAPPAVSQ-UHFFFAOYSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CC[C@@H](C)NCc1ccc(F)cc1I ZINC000417943950 434553670 /nfs/dbraw/zinc/55/36/70/434553670.db2.gz VMZFXGIMJPCOSL-SECBINFHSA-N 0 3 319.161 3.485 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@]3(C2)CCCN(C)C3)CCCCC1 ZINC000452153123 434587605 /nfs/dbraw/zinc/58/76/05/434587605.db2.gz QNWNPUOYLXQBBE-GOSISDBHSA-N 0 3 304.478 3.457 20 30 DGEDHN Cc1ccc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)s1 ZINC000424067907 434615370 /nfs/dbraw/zinc/61/53/70/434615370.db2.gz QIJLKMXMDUUVGE-JTQLQIEISA-N 0 3 320.443 3.140 20 30 DGEDHN C#CCCCCC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000370589882 434616564 /nfs/dbraw/zinc/61/65/64/434616564.db2.gz TXGDCILRJGAIFR-HXUWFJFHSA-N 0 3 312.457 3.208 20 30 DGEDHN CCCCOc1ccc(NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424094201 434619465 /nfs/dbraw/zinc/61/94/65/434619465.db2.gz UBGNWYQJRWEMSC-OAHLLOKOSA-N 0 3 303.406 3.134 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)nnc2ccccc21)c1cccs1 ZINC000354103253 434621005 /nfs/dbraw/zinc/62/10/05/434621005.db2.gz UBUIGOBEDGMJHZ-HNNXBMFYSA-N 0 3 323.425 3.278 20 30 DGEDHN Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424121046 434628368 /nfs/dbraw/zinc/62/83/68/434628368.db2.gz HXJHJALPMYSEPL-MSOLQXFVSA-N 0 3 313.445 3.460 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424119006 434628710 /nfs/dbraw/zinc/62/87/10/434628710.db2.gz DBCKLTYFOOKBFE-XEZPLFJOSA-N 0 3 321.852 3.312 20 30 DGEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)Cc1cccc(Cl)c1 ZINC000424125163 434631560 /nfs/dbraw/zinc/63/15/60/434631560.db2.gz NLWVCPCETLYIMN-OAHLLOKOSA-N 0 3 321.852 3.046 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000424150304 434636212 /nfs/dbraw/zinc/63/62/12/434636212.db2.gz IYPDYALKOBGECU-GFCCVEGCSA-N 0 3 313.323 3.141 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000452528511 434637800 /nfs/dbraw/zinc/63/78/00/434637800.db2.gz CUKHSOGSYSCHOT-QMMMGPOBSA-N 0 3 317.336 3.028 20 30 DGEDHN C=CCN1CC[C@H](N(CCC)[C@H]2CCc3ccccc3C2)C1=O ZINC000410342519 434641530 /nfs/dbraw/zinc/64/15/30/434641530.db2.gz KVPYCUGGHNHCOM-OALUTQOASA-N 0 3 312.457 3.043 20 30 DGEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)cc(C)c1Br ZINC000424163851 434641979 /nfs/dbraw/zinc/64/19/79/434641979.db2.gz AUJVDLJICWZEKF-LBPRGKRZSA-N 0 3 324.222 3.026 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000410396794 434645891 /nfs/dbraw/zinc/64/58/91/434645891.db2.gz WKXNZDMWKJFQJW-QYZOEREBSA-N 0 3 312.457 3.350 20 30 DGEDHN CN(C)CCN(Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000349076899 434597224 /nfs/dbraw/zinc/59/72/24/434597224.db2.gz QBSSQNUAFBOIKK-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H](C(C)C)C1(CO)CCCC1 ZINC000459549194 434601562 /nfs/dbraw/zinc/60/15/62/434601562.db2.gz YUPIUHBAVVCMFX-SFHVURJKSA-N 0 3 316.445 3.234 20 30 DGEDHN CCOC(=O)[C@H]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424318569 434692685 /nfs/dbraw/zinc/69/26/85/434692685.db2.gz CZYRLQSPRRCRRN-DACLVMHWSA-N 0 3 312.413 3.450 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452727583 434695268 /nfs/dbraw/zinc/69/52/68/434695268.db2.gz HBPZMONAVYBIGP-UHFFFAOYSA-N 0 3 300.446 3.370 20 30 DGEDHN Cn1cc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1C#N ZINC000459667828 434652027 /nfs/dbraw/zinc/65/20/27/434652027.db2.gz PICQHEHQDGSRMW-IUODEOHRSA-N 0 3 303.768 3.335 20 30 DGEDHN CCCNc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424193292 434654738 /nfs/dbraw/zinc/65/47/38/434654738.db2.gz QIFMVNLLIYWFDV-LBPRGKRZSA-N 0 3 308.813 3.122 20 30 DGEDHN CN1CCC(CC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000452650335 434669491 /nfs/dbraw/zinc/66/94/91/434669491.db2.gz YMRAMIVYDMRDFY-UHFFFAOYSA-N 0 3 305.809 3.076 20 30 DGEDHN C=CCn1cc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)nn1 ZINC000424290068 434680403 /nfs/dbraw/zinc/68/04/03/434680403.db2.gz AYJXDTRSQZNZEF-QGZVFWFLSA-N 0 3 312.392 3.329 20 30 DGEDHN COc1cc(CNCCCOc2ccccc2C)ccc1C#N ZINC000440819988 434746774 /nfs/dbraw/zinc/74/67/74/434746774.db2.gz DUGSISBEQXQZBB-UHFFFAOYSA-N 0 3 310.397 3.434 20 30 DGEDHN COc1cc(CNC[C@H](OC)c2ccc(F)cc2)ccc1C#N ZINC000440817259 434748141 /nfs/dbraw/zinc/74/81/41/434748141.db2.gz GBGXFWHUBWGKIY-SFHVURJKSA-N 0 3 314.360 3.183 20 30 DGEDHN CC#CCCNCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000360969492 434749382 /nfs/dbraw/zinc/74/93/82/434749382.db2.gz SADBSCBVWJTBRZ-UHFFFAOYSA-N 0 3 310.397 3.172 20 30 DGEDHN N#Cc1cccc(OC2CCN(CCOCC3CCC3)CC2)c1 ZINC000419202258 434751460 /nfs/dbraw/zinc/75/14/60/434751460.db2.gz GSZRNYDZBIXFQL-UHFFFAOYSA-N 0 3 314.429 3.218 20 30 DGEDHN N#CC1(CCN2CCC(N3CCCCC3=O)CC2)CCCCC1 ZINC000411342018 434766646 /nfs/dbraw/zinc/76/66/46/434766646.db2.gz DWCBKRSWATVQHS-UHFFFAOYSA-N 0 3 317.477 3.327 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](CC)Cc2ccccc2C)CC1 ZINC000424650591 434769768 /nfs/dbraw/zinc/76/97/68/434769768.db2.gz OFGSQDQBFKUVBA-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN C[C@H](CCC#N)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000411335503 434764649 /nfs/dbraw/zinc/76/46/49/434764649.db2.gz DREMDVLNBONKCY-GFCCVEGCSA-N 0 3 320.824 3.078 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000371883876 434765787 /nfs/dbraw/zinc/76/57/87/434765787.db2.gz LBMMMCTXGUYASH-SFHVURJKSA-N 0 3 300.446 3.371 20 30 DGEDHN COc1ccccc1[C@H](CN[C@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442636928 434771704 /nfs/dbraw/zinc/77/17/04/434771704.db2.gz VLMUWIJUNIFAET-BQFCYCMXSA-N 0 3 313.445 3.114 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]2c2ccncc2)c1 ZINC000411405710 434775470 /nfs/dbraw/zinc/77/54/70/434775470.db2.gz ADIOVNNBBKAJQK-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN C[C@@H]1C[C@@H](C)N(CCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495896079 297235218 /nfs/dbraw/zinc/23/52/18/297235218.db2.gz IUKFVPMYKQKSOI-RBSFLKMASA-N 0 3 309.454 3.161 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000444664289 434786855 /nfs/dbraw/zinc/78/68/55/434786855.db2.gz NHGZDEFZWVMSJA-QWHCGFSZSA-N 0 3 306.372 3.484 20 30 DGEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000444681475 434786883 /nfs/dbraw/zinc/78/68/83/434786883.db2.gz ZYRSXCYPZHBTGB-JKSUJKDBSA-N 0 3 305.466 3.230 20 30 DGEDHN CC(=O)N1CC[C@H](NCc2ccc(C#N)c(C)c2)c2ccccc21 ZINC000443981639 434782848 /nfs/dbraw/zinc/78/28/48/434782848.db2.gz BIYOEPXQFJIOES-IBGZPJMESA-N 0 3 319.408 3.454 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC2CCN(C3CC3)CC2)CCCC1(C)C ZINC000444886295 434790337 /nfs/dbraw/zinc/79/03/37/434790337.db2.gz OXFJKNPHRSVGHD-KRWDZBQOSA-N 0 3 319.493 3.390 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCCC1(C)C ZINC000445123933 434791670 /nfs/dbraw/zinc/79/16/70/434791670.db2.gz XADLSJZIPZVOOI-INMHGKMJSA-N 0 3 319.493 3.388 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000424740108 434793032 /nfs/dbraw/zinc/79/30/32/434793032.db2.gz RBMIKLADQXXNJB-OAHLLOKOSA-N 0 3 315.461 3.326 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054945 434862110 /nfs/dbraw/zinc/86/21/10/434862110.db2.gz JXAHZXPIAAOOFM-MAUKXSAKSA-N 0 3 311.429 3.096 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(SC)cc1 ZINC000411655993 434813204 /nfs/dbraw/zinc/81/32/04/434813204.db2.gz OJPLCIIWJSJWPX-LSDHHAIUSA-N 0 3 307.459 3.189 20 30 DGEDHN C[C@H](CCC#N)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000411639237 434813503 /nfs/dbraw/zinc/81/35/03/434813503.db2.gz VLZHOUKTVBMGGK-DDUZABMNSA-N 0 3 314.433 3.068 20 30 DGEDHN C[C@@H]1OCC[C@]12CN(CCC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000411665777 434815040 /nfs/dbraw/zinc/81/50/40/434815040.db2.gz HKXNHHSSYARMFR-RYRKJORJSA-N 0 3 306.450 3.119 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000372262717 434819337 /nfs/dbraw/zinc/81/93/37/434819337.db2.gz VJABUHNESUZZSW-QZTJIDSGSA-N 0 3 300.402 3.026 20 30 DGEDHN CC(CCN(C)CC(C)(C)C#N)CCN(C)CC(C)(C)C#N ZINC000411779659 434827921 /nfs/dbraw/zinc/82/79/21/434827921.db2.gz HOCLSGRPWCMONX-UHFFFAOYSA-N 0 3 306.498 3.366 20 30 DGEDHN N#C[C@H]1CC[C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000424969560 434834715 /nfs/dbraw/zinc/83/47/15/434834715.db2.gz BMVVXIHRIXAKEH-FUHWJXTLSA-N 0 3 311.429 3.095 20 30 DGEDHN CC(C)(C#N)CCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411980782 434850971 /nfs/dbraw/zinc/85/09/71/434850971.db2.gz JOHSYBMHFAPOPX-LJQANCHMSA-N 0 3 312.413 3.426 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000412030841 434855970 /nfs/dbraw/zinc/85/59/70/434855970.db2.gz BIQMIMJIZACUHW-UHFFFAOYSA-N 0 3 312.457 3.263 20 30 DGEDHN COC1([C@H](C)NCc2ccc(C#N)cc2OC(F)F)CCC1 ZINC000412025154 434856019 /nfs/dbraw/zinc/85/60/19/434856019.db2.gz PFLLMMJXXMMKLD-NSHDSACASA-N 0 3 310.344 3.207 20 30 DGEDHN C#CCCN1CCC(NC(=O)/C=C\c2cc3ccccc3o2)CC1 ZINC000491917329 434882966 /nfs/dbraw/zinc/88/29/66/434882966.db2.gz YHMDESKTZHSAQG-HJWRWDBZSA-N 0 3 322.408 3.050 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491992178 434896257 /nfs/dbraw/zinc/89/62/57/434896257.db2.gz SRCLSWIPAXAPRA-QXMHVHEDSA-N 0 3 319.408 3.314 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462064832 434898691 /nfs/dbraw/zinc/89/86/91/434898691.db2.gz GMDCFSQGVJBMON-YJBOKZPZSA-N 0 3 313.445 3.042 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460971411 434867056 /nfs/dbraw/zinc/86/70/56/434867056.db2.gz YHZYKXIKXPDXDN-WMZOPIPTSA-N 0 3 314.473 3.365 20 30 DGEDHN C[C@H](Cc1ccsc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000573060983 434871630 /nfs/dbraw/zinc/87/16/30/434871630.db2.gz PYUYUPSSEFFOBW-CZUORRHYSA-N 0 3 313.426 3.099 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)C#N)Cc1cccc(Br)c1 ZINC000522974477 434936802 /nfs/dbraw/zinc/93/68/02/434936802.db2.gz OTTFVGVJZNURIB-NWDGAFQWSA-N 0 3 323.234 3.294 20 30 DGEDHN COc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000555294845 434968411 /nfs/dbraw/zinc/96/84/11/434968411.db2.gz HBFUOJYNWPVHKT-WCQYABFASA-N 0 3 310.344 3.421 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cnc2C#N)CN1C1CC1 ZINC000574499946 434982470 /nfs/dbraw/zinc/98/24/70/434982470.db2.gz DFMUFRBPJHIQLR-MWLCHTKSSA-N 0 3 310.323 3.009 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000464516190 434990415 /nfs/dbraw/zinc/99/04/15/434990415.db2.gz CCLGVFHVSFGHBA-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN Cc1nc(N2CCCN(C(C)(C)C)CC2)c(Cl)cc1C#N ZINC000574614822 434992002 /nfs/dbraw/zinc/99/20/02/434992002.db2.gz VFDDDVXGLGCNMS-UHFFFAOYSA-N 0 3 306.841 3.226 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525122445 435005059 /nfs/dbraw/zinc/00/50/59/435005059.db2.gz FXVSBPZSDXKSDL-PKOBYXMFSA-N 0 3 312.457 3.313 20 30 DGEDHN CC[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000575229797 435006845 /nfs/dbraw/zinc/00/68/45/435006845.db2.gz RZZXSJQURNJRRJ-ICSRJNTNSA-N 0 3 324.424 3.233 20 30 DGEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1cccc2ccccc21 ZINC000527384718 435011400 /nfs/dbraw/zinc/01/14/00/435011400.db2.gz ZYNWKUWAMMDMHG-AWEZNQCLSA-N 0 3 307.397 3.053 20 30 DGEDHN CC(C)(C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(F)cc1 ZINC000527377575 435012294 /nfs/dbraw/zinc/01/22/94/435012294.db2.gz UNDDCGTZLNJZNA-MRXNPFEDSA-N 0 3 317.408 3.065 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C3CCCC3)C2)cc1 ZINC000577738521 435061880 /nfs/dbraw/zinc/06/18/80/435061880.db2.gz YJAGAGPXOLKXSP-MOPGFXCFSA-N 0 3 321.424 3.279 20 30 DGEDHN CCC[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000466482887 435077574 /nfs/dbraw/zinc/07/75/74/435077574.db2.gz PVGVHZDEGFRLJX-HNNXBMFYSA-N 0 3 302.418 3.458 20 30 DGEDHN CC[C@H](C)N(CC#Cc1ccc(OC(F)(F)F)cc1)CCO ZINC000558172085 435078965 /nfs/dbraw/zinc/07/89/65/435078965.db2.gz IODIKEGAYKEQAK-ZDUSSCGKSA-N 0 3 315.335 3.030 20 30 DGEDHN Cc1cc(N2CCCN(C(C)(C)C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000578484755 435087772 /nfs/dbraw/zinc/08/77/72/435087772.db2.gz LHVSWGJCFOAWDX-UHFFFAOYSA-N 0 3 316.405 3.086 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000492698216 435037000 /nfs/dbraw/zinc/03/70/00/435037000.db2.gz WPXAIFMRNOVQNE-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN C[C@@H]1CC(F)(F)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000530009618 435041634 /nfs/dbraw/zinc/04/16/34/435041634.db2.gz RRQFDRWWDIJWLT-UKRRQHHQSA-N 0 3 306.356 3.405 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000465860756 435048761 /nfs/dbraw/zinc/04/87/61/435048761.db2.gz OAYUYZBJIAMHDZ-MSOLQXFVSA-N 0 3 319.493 3.295 20 30 DGEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000576037837 435054543 /nfs/dbraw/zinc/05/45/43/435054543.db2.gz YQDMEHKDNBTMPS-QGZVFWFLSA-N 0 3 309.413 3.327 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1COCc2ccccc21 ZINC000576728763 435057060 /nfs/dbraw/zinc/05/70/60/435057060.db2.gz XVLZIDAHNUKYBZ-QFBILLFUSA-N 0 3 320.392 3.147 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000466044694 435057440 /nfs/dbraw/zinc/05/74/40/435057440.db2.gz UJKQIMSZIABUAA-NVXWUHKLSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000466783666 435093454 /nfs/dbraw/zinc/09/34/54/435093454.db2.gz ZIZRSJMQYHYSEH-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C[C@H](CC(=O)N1CCOc2ccc(CN)cc21)c1ccccc1 ZINC000638807851 435093595 /nfs/dbraw/zinc/09/35/95/435093595.db2.gz QGCWGKQAICTXAP-MRXNPFEDSA-N 0 3 322.408 3.231 20 30 DGEDHN C=CCCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000466982803 435102657 /nfs/dbraw/zinc/10/26/57/435102657.db2.gz MXDGZKQZNDPQOT-RDJZCZTQSA-N 0 3 301.434 3.039 20 30 DGEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467202322 435110777 /nfs/dbraw/zinc/11/07/77/435110777.db2.gz PNUUENJMZBRIPH-SMDDNHRTSA-N 0 3 305.809 3.271 20 30 DGEDHN C=C(C)CN(CC)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000559031760 435119401 /nfs/dbraw/zinc/11/94/01/435119401.db2.gz PQZYONBGTMLQQI-RHSMWYFYSA-N 0 3 304.409 3.386 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000493198847 435124275 /nfs/dbraw/zinc/12/42/75/435124275.db2.gz ZZUSLPCFWMRPTM-VAWYXSNFSA-N 0 3 305.381 3.272 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000532918404 435199460 /nfs/dbraw/zinc/19/94/60/435199460.db2.gz VANJCBCMDUQKOS-FHLIZLRMSA-N 0 3 311.429 3.397 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000532987909 435202335 /nfs/dbraw/zinc/20/23/35/435202335.db2.gz QJHSCFRPBGQDDE-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCC(C)(C)C#N)C1 ZINC000495719337 435204686 /nfs/dbraw/zinc/20/46/86/435204686.db2.gz TXQSYJLIXNROAG-KRWDZBQOSA-N 0 3 309.454 3.163 20 30 DGEDHN C=CC[C@@H](CC)NCc1snc(OC)c1Br ZINC000639133047 435168510 /nfs/dbraw/zinc/16/85/10/435168510.db2.gz XKNOWAYSEMEUOB-MRVPVSSYSA-N 0 3 305.241 3.359 20 30 DGEDHN C=CC[C@H](CC)NCc1snc(OC)c1Br ZINC000639133048 435168688 /nfs/dbraw/zinc/16/86/88/435168688.db2.gz XKNOWAYSEMEUOB-QMMMGPOBSA-N 0 3 305.241 3.359 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)cc(Cl)c1N ZINC000639232529 435207144 /nfs/dbraw/zinc/20/71/44/435207144.db2.gz KJCBGXRRIDBRLP-OLZOCXBDSA-N 0 3 301.217 3.399 20 30 DGEDHN CC1CCN([C@H](CNC[C@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000561303780 435210055 /nfs/dbraw/zinc/21/00/55/435210055.db2.gz ASZIQYWLZCNTGI-AZUAARDMSA-N 0 3 324.472 3.493 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2cccc(C(C)C)c2)CC1 ZINC000477048501 435256105 /nfs/dbraw/zinc/25/61/05/435256105.db2.gz KQUVXIFFEQDQIN-UHFFFAOYSA-N 0 3 315.461 3.260 20 30 DGEDHN Cc1cccc2c1OC[C@H](N[C@H]1CCc3ccc(C#N)cc31)C2 ZINC000584045843 435270331 /nfs/dbraw/zinc/27/03/31/435270331.db2.gz IPOVEXCEVUICHL-MJGOQNOKSA-N 0 3 304.393 3.447 20 30 DGEDHN Cc1csc(NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000567176428 435294151 /nfs/dbraw/zinc/29/41/51/435294151.db2.gz FAPNKPBMWKMTON-WCQYABFASA-N 0 3 320.462 3.170 20 30 DGEDHN C=CCCCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000479676323 435346431 /nfs/dbraw/zinc/34/64/31/435346431.db2.gz VYJZOKKVRKLTAV-UHFFFAOYSA-N 0 3 322.493 3.273 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC(F)(F)C1)C(C)C ZINC000479683043 435347859 /nfs/dbraw/zinc/34/78/59/435347859.db2.gz GVXSRTSCPLHTAO-LSDHHAIUSA-N 0 3 314.420 3.237 20 30 DGEDHN CC(C)(C)N1CCCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000535035713 435311201 /nfs/dbraw/zinc/31/12/01/435311201.db2.gz MKSKPEWLXVLDGP-UHFFFAOYSA-N 0 3 312.461 3.143 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1Cc1ccccc1C ZINC000514189337 435414317 /nfs/dbraw/zinc/41/43/17/435414317.db2.gz LJYJDEHJKRLBOW-LJQANCHMSA-N 0 3 312.457 3.203 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1conc1Cc1ccccc1 ZINC000567922026 435370939 /nfs/dbraw/zinc/37/09/39/435370939.db2.gz LMXOOSCUMBOJAD-QFBILLFUSA-N 0 3 312.413 3.336 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@H](c3ccc(CC)cc3)C2)C1=O ZINC000513420696 435388813 /nfs/dbraw/zinc/38/88/13/435388813.db2.gz QARBQQHQYQGTQU-MOPGFXCFSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000513420644 435389491 /nfs/dbraw/zinc/38/94/91/435389491.db2.gz PQJRXYXEZCCGMY-QAPCUYQASA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@H](c3ccc(CC)cc3)C2)C1=O ZINC000513420697 435389707 /nfs/dbraw/zinc/38/97/07/435389707.db2.gz QARBQQHQYQGTQU-OALUTQOASA-N 0 3 312.457 3.215 20 30 DGEDHN CC(C)N1CCN(c2cccc(Nc3cccc(C#N)n3)c2)CC1 ZINC000536605906 435393676 /nfs/dbraw/zinc/39/36/76/435393676.db2.gz LWPYLQBRCRGEQM-UHFFFAOYSA-N 0 3 321.428 3.227 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)C[C@H](N)Cc1ccccc1 ZINC000644045668 435397327 /nfs/dbraw/zinc/39/73/27/435397327.db2.gz UTRXLOKEAKGCAZ-MRXNPFEDSA-N 0 3 314.454 3.223 20 30 DGEDHN Cc1cc(C#N)nc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000568874197 435480449 /nfs/dbraw/zinc/48/04/49/435480449.db2.gz RPJUTSSECMKUIH-QGZVFWFLSA-N 0 3 324.453 3.413 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H]1Cc1ccccc1 ZINC000515107009 435464492 /nfs/dbraw/zinc/46/44/92/435464492.db2.gz XVQDFHJNUBWOLD-SFHVURJKSA-N 0 3 319.408 3.204 20 30 DGEDHN COc1ccc(CN(C)CC(C)(C)OC)cc1OCCCC#N ZINC000537725779 435466021 /nfs/dbraw/zinc/46/60/21/435466021.db2.gz XDOBDQNUPOHVSB-UHFFFAOYSA-N 0 3 320.433 3.235 20 30 DGEDHN C=C(CNC[C@H](O)COCc1ccccc1F)c1ccccc1 ZINC000644647314 435475525 /nfs/dbraw/zinc/47/55/25/435475525.db2.gz OGXSVEKFVMYKIQ-SFHVURJKSA-N 0 3 315.388 3.006 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H]3CN(C)C[C@H]32)cc1Cl ZINC000644841821 435525825 /nfs/dbraw/zinc/52/58/25/435525825.db2.gz SBBAIBZCCMJGFN-GDBMZVCRSA-N 0 3 306.837 3.041 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483094794 435492498 /nfs/dbraw/zinc/49/24/98/435492498.db2.gz FAAIUDDLEJVBAT-DOTOQJQBSA-N 0 3 316.420 3.204 20 30 DGEDHN C=CCCCCN(Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000515595332 435495445 /nfs/dbraw/zinc/49/54/45/435495445.db2.gz AKZHHOKHVXRNKZ-UHFFFAOYSA-N 0 3 321.490 3.312 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@H](c2cccs2)C2CC2)c1 ZINC000539369301 435549171 /nfs/dbraw/zinc/54/91/71/435549171.db2.gz GXHPBPXNVOGTDG-KRWDZBQOSA-N 0 3 311.410 3.299 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000539779605 435567999 /nfs/dbraw/zinc/56/79/99/435567999.db2.gz XOTGVJQQCDGFPQ-SZMVWBNQSA-N 0 3 315.461 3.476 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(n2c3ccccc3nc2CC)CC1 ZINC000649407387 435580449 /nfs/dbraw/zinc/58/04/49/435580449.db2.gz YYSLPSNUJWUOQL-SFHVURJKSA-N 0 3 313.445 3.173 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000645193822 435588745 /nfs/dbraw/zinc/58/87/45/435588745.db2.gz OGVYVXHVHJEAGE-NOZJJQNGSA-N 0 3 302.187 3.176 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1CCC1CCCC1 ZINC000486809073 435615327 /nfs/dbraw/zinc/61/53/27/435615327.db2.gz NINOFJCYDIKIDM-MJGOQNOKSA-N 0 3 319.493 3.476 20 30 DGEDHN COc1ccc(C2(NCCOc3cccc(C#N)c3)CC2)cc1 ZINC000540360679 435598400 /nfs/dbraw/zinc/59/84/00/435598400.db2.gz VJYBBCMNPMYJPX-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(OC)CCCCC1 ZINC000570202769 435599455 /nfs/dbraw/zinc/59/94/55/435599455.db2.gz BSIFWOMHSNNIRU-UHFFFAOYSA-N 0 3 307.434 3.499 20 30 DGEDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc(Cl)cc2C#N)C[C@@H](C)C1 ZINC000488732342 435643133 /nfs/dbraw/zinc/64/31/33/435643133.db2.gz NGOVYQZPZYRPJK-XNJGSVPQSA-N 0 3 303.837 3.378 20 30 DGEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000541645785 435643370 /nfs/dbraw/zinc/64/33/70/435643370.db2.gz XKMVVHRCVFZREG-ZDUSSCGKSA-N 0 3 319.474 3.304 20 30 DGEDHN COC(=O)C[C@@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000541601680 435643714 /nfs/dbraw/zinc/64/37/14/435643714.db2.gz LZTJBKWTBCHQSN-GOSISDBHSA-N 0 3 317.404 3.279 20 30 DGEDHN COCCN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCO[C@H]1C ZINC000489434402 435646996 /nfs/dbraw/zinc/64/69/96/435646996.db2.gz SJFHQRIMNPXUPO-MAUKXSAKSA-N 0 3 316.445 3.114 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000490495760 435659414 /nfs/dbraw/zinc/65/94/14/435659414.db2.gz KZOKXCAPKGGHHX-RHSMWYFYSA-N 0 3 323.396 3.040 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000519274545 435677313 /nfs/dbraw/zinc/67/73/13/435677313.db2.gz ACVOCVOTUBWRDO-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C[C@H]1CN(CCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494419448 300253721 /nfs/dbraw/zinc/25/37/21/300253721.db2.gz VDRZPFWODOCCKI-KBPBESRZSA-N 0 3 309.454 3.161 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NCCN(C)CCCC ZINC000491066924 435701792 /nfs/dbraw/zinc/70/17/92/435701792.db2.gz PCJHQNDWVIGXSD-UHFFFAOYSA-N 0 3 303.450 3.116 20 30 DGEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000571383389 435700423 /nfs/dbraw/zinc/70/04/23/435700423.db2.gz FVTMCWUDMQCZRL-HNNXBMFYSA-N 0 3 318.783 3.461 20 30 DGEDHN C=CCN(CCC(=O)NCC1CCCCC1)CCc1ccco1 ZINC000491410318 435745331 /nfs/dbraw/zinc/74/53/31/435745331.db2.gz NQAICHQFJGCEAM-UHFFFAOYSA-N 0 3 318.461 3.397 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@@H]2CCCC[C@H]2C)c1C#N ZINC000548731100 435713197 /nfs/dbraw/zinc/71/31/97/435713197.db2.gz LLLDJXYSVBJFPV-CXAGYDPISA-N 0 3 300.402 3.355 20 30 DGEDHN C#C[C@@H](CC)NCc1cc(Br)c(O)c(OCC)c1 ZINC000491767311 435809140 /nfs/dbraw/zinc/80/91/40/435809140.db2.gz IKHMOTZKYLMORO-NSHDSACASA-N 0 3 312.207 3.055 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cccc(F)c1OCC(F)(F)F ZINC000641759986 435812998 /nfs/dbraw/zinc/81/29/98/435812998.db2.gz KWEMSSXLRIOWKM-LBPRGKRZSA-N 0 3 321.314 3.184 20 30 DGEDHN COc1cc(CNCCOc2ccc(C)cc2C)ccc1C#N ZINC000571981638 435764242 /nfs/dbraw/zinc/76/42/42/435764242.db2.gz BTECWRFLKSYAJU-UHFFFAOYSA-N 0 3 310.397 3.352 20 30 DGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000651765899 435820935 /nfs/dbraw/zinc/82/09/35/435820935.db2.gz MEBVVGMNTASELZ-BBWFWOEESA-N 0 3 321.486 3.492 20 30 DGEDHN C#C[C@@H](NC(=N)Nc1ccccn1)c1ccc(Cl)cc1F ZINC000491631327 435783235 /nfs/dbraw/zinc/78/32/35/435783235.db2.gz NTYYVONEOFPPCE-CYBMUJFWSA-N 0 3 302.740 3.185 20 30 DGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C2CCCC2)C1 ZINC000572591986 435843760 /nfs/dbraw/zinc/84/37/60/435843760.db2.gz PHLPEDJXYZBAPO-RHSMWYFYSA-N 0 3 311.429 3.397 20 30 DGEDHN C=C(C)CCN1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937392 435848103 /nfs/dbraw/zinc/84/81/03/435848103.db2.gz CZHLTMFWCBOHGV-UHFFFAOYSA-N 0 3 301.365 3.415 20 30 DGEDHN C=CCc1cc(CN[C@H](C)COCC2CC2)cc(OC)c1O ZINC000651981855 435884604 /nfs/dbraw/zinc/88/46/04/435884604.db2.gz CZURNTMIDOEJOA-CYBMUJFWSA-N 0 3 305.418 3.034 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000660859094 435911681 /nfs/dbraw/zinc/91/16/81/435911681.db2.gz VYORZRUURGYDCF-JKSUJKDBSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000652232574 435930027 /nfs/dbraw/zinc/93/00/27/435930027.db2.gz HAYVCOHPFWVVAV-SFHVURJKSA-N 0 3 315.461 3.164 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000661072282 435957985 /nfs/dbraw/zinc/95/79/85/435957985.db2.gz WXXFKZADIBVOSQ-WBVHZDCISA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCOc1cccc(NC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000665366868 435959351 /nfs/dbraw/zinc/95/93/51/435959351.db2.gz JXLBPWUUHRLPBX-OAHLLOKOSA-N 0 3 317.433 3.246 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000665392923 435966633 /nfs/dbraw/zinc/96/66/33/435966633.db2.gz JGMQWMAQOGVSLB-ZACQAIPSSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000661116534 435970372 /nfs/dbraw/zinc/97/03/72/435970372.db2.gz YSIVOICJVMMMQD-STQMWFEESA-N 0 3 319.474 3.295 20 30 DGEDHN C=CCCC1(CNC(=O)NCC2=CCN(C)CC2)CCCC1 ZINC000665589497 436012558 /nfs/dbraw/zinc/01/25/58/436012558.db2.gz XMPAWMJTWJSUFP-UHFFFAOYSA-N 0 3 305.466 3.074 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(CCC)C2)c1 ZINC000665956045 436106601 /nfs/dbraw/zinc/10/66/01/436106601.db2.gz IYKPDHDSYMPNOM-MRXNPFEDSA-N 0 3 317.433 3.247 20 30 DGEDHN O[C@@]1(C2CC2)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000661630142 436124944 /nfs/dbraw/zinc/12/49/44/436124944.db2.gz TVVYJHYROPZFIY-KRWDZBQOSA-N 0 3 323.358 3.294 20 30 DGEDHN C=CCCn1cc(CNCCc2cccc3ccccc32)nn1 ZINC000657308864 436129689 /nfs/dbraw/zinc/12/96/89/436129689.db2.gz ZLZQFDCFNXISQP-UHFFFAOYSA-N 0 3 306.413 3.340 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)C2)c1 ZINC000337705727 301224613 /nfs/dbraw/zinc/22/46/13/301224613.db2.gz ZXTWWOFXLSKBHW-PBHICJAKSA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCCn1cc(CNC[C@@H](Cc2ccccc2)C(C)C)nn1 ZINC000657444559 436205545 /nfs/dbraw/zinc/20/55/45/436205545.db2.gz DJRZUJIXDKJXPH-GOSISDBHSA-N 0 3 312.461 3.459 20 30 DGEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)nn1 ZINC000657442658 436206186 /nfs/dbraw/zinc/20/61/86/436206186.db2.gz UKSGIVLASQPNLX-ZWKOTPCHSA-N 0 3 310.445 3.355 20 30 DGEDHN C=CCC1([NH2+]CC(=O)[N-]c2cc(C(C)(C)C)no2)CCCC1 ZINC000661847587 436209307 /nfs/dbraw/zinc/20/93/07/436209307.db2.gz ANBXQROHCGJJPZ-UHFFFAOYSA-N 0 3 305.422 3.389 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(OC2CC2)c1F ZINC000657454805 436210346 /nfs/dbraw/zinc/21/03/46/436210346.db2.gz MLKQRBLJNPKGMG-KSSFIOAISA-N 0 3 305.393 3.438 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)nn1 ZINC000657457860 436212634 /nfs/dbraw/zinc/21/26/34/436212634.db2.gz TUIQLGZIEJGPKL-RDJZCZTQSA-N 0 3 314.408 3.419 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661881870 436221523 /nfs/dbraw/zinc/22/15/23/436221523.db2.gz XNAAGWHTRQPPKT-KSZLIROESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccccc1F ZINC000662083564 436270135 /nfs/dbraw/zinc/27/01/35/436270135.db2.gz GALALSAKWYRBLU-BMFZPTHFSA-N 0 3 302.393 3.013 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000662086889 436271028 /nfs/dbraw/zinc/27/10/28/436271028.db2.gz ZXDQVJZFLDVSTJ-WSTZPKSXSA-N 0 3 310.441 3.437 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000654312061 436387889 /nfs/dbraw/zinc/38/78/89/436387889.db2.gz MQDITALGORYQQY-BHIYHBOVSA-N 0 3 312.457 3.479 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000654312066 436389625 /nfs/dbraw/zinc/38/96/25/436389625.db2.gz MQDITALGORYQQY-NZSAHSFTSA-N 0 3 312.457 3.479 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000658333150 436432210 /nfs/dbraw/zinc/43/22/10/436432210.db2.gz NDTJIYQGRBAFBD-HOSYDEDBSA-N 0 3 304.217 3.286 20 30 DGEDHN C=CCCn1cc(CNC[C@@]2(c3ccccc3)CC2(C)C)nn1 ZINC000663365006 436447832 /nfs/dbraw/zinc/44/78/32/436447832.db2.gz DICCJNFNQSSYNH-LJQANCHMSA-N 0 3 310.445 3.312 20 30 DGEDHN C=CCC(C)(C)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659040040 436461059 /nfs/dbraw/zinc/46/10/59/436461059.db2.gz DHKOGUILXCAOJP-MRXNPFEDSA-N 0 3 317.433 3.071 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2CC2CCC2)CC1 ZINC000664020380 436545810 /nfs/dbraw/zinc/54/58/10/436545810.db2.gz ROHFXMMOSRCIER-SFHVURJKSA-N 0 3 319.493 3.391 20 30 DGEDHN CC(C)(C)C(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000655436336 436547829 /nfs/dbraw/zinc/54/78/29/436547829.db2.gz RSBCAQNURKDHEC-OAHLLOKOSA-N 0 3 315.417 3.265 20 30 DGEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NC1(C#N)CCC1 ZINC000346977317 302125480 /nfs/dbraw/zinc/12/54/80/302125480.db2.gz WRCCYZCIBJWDTH-QGZVFWFLSA-N 0 3 313.445 3.234 20 30 DGEDHN N#Cc1ccc(CNC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000052659094 303191191 /nfs/dbraw/zinc/19/11/91/303191191.db2.gz BNBRVCZMRMSBCZ-GOSISDBHSA-N 0 3 309.413 3.468 20 30 DGEDHN COc1cc(CNCc2cccc(C#N)c2)c2ccccc2n1 ZINC000174582564 312764287 /nfs/dbraw/zinc/76/42/87/312764287.db2.gz FFUBQKCTDPCLBA-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN CNC(=O)C[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543034238 314110468 /nfs/dbraw/zinc/11/04/68/314110468.db2.gz GGLIQICUEHXHML-LSDHHAIUSA-N 0 3 321.424 3.400 20 30 DGEDHN COC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCO1 ZINC000558794616 314864178 /nfs/dbraw/zinc/86/41/78/314864178.db2.gz PHISDVSKFORYMR-FHWLQOOXSA-N 0 3 314.429 3.109 20 30 DGEDHN N#Cc1cccc(CN2CCNC[C@H]2c2ccccc2Cl)c1 ZINC000565043786 315224696 /nfs/dbraw/zinc/22/46/96/315224696.db2.gz IIOSCAXOIMGGEM-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000566670231 315366719 /nfs/dbraw/zinc/36/67/19/315366719.db2.gz OWLNVKLZEOWPNX-MSOLQXFVSA-N 0 3 306.413 3.336 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H](N2CC=CC2)C1 ZINC000575984495 316082469 /nfs/dbraw/zinc/08/24/69/316082469.db2.gz WWGDZWBABYOQKS-CQSZACIVSA-N 0 3 324.815 3.210 20 30 DGEDHN CC(C)[C@@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CCCCC2 ZINC000577952817 316288142 /nfs/dbraw/zinc/28/81/42/316288142.db2.gz DGOSTXALBYUUCG-KRWDZBQOSA-N 0 3 323.444 3.392 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182915924 323316273 /nfs/dbraw/zinc/31/62/73/323316273.db2.gz YETYOBXAYHSTRY-OAHLLOKOSA-N 0 3 307.397 3.464 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000182928873 323316535 /nfs/dbraw/zinc/31/65/35/323316535.db2.gz UJOOHFSRBYPKSV-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1cc(CNCc2ccc(-n3cccn3)cc2)ccc1C#N ZINC000443972470 533706553 /nfs/dbraw/zinc/70/65/53/533706553.db2.gz MPAUVPUDWRDDAB-UHFFFAOYSA-N 0 3 302.381 3.342 20 30 DGEDHN C[C@@H]1CCC[C@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581409399 324114524 /nfs/dbraw/zinc/11/45/24/324114524.db2.gz DHKUTLZWBVOULX-RVKKMQEKSA-N 0 3 311.429 3.317 20 30 DGEDHN COC(=O)[C@](C)(CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000582101924 324188252 /nfs/dbraw/zinc/18/82/52/324188252.db2.gz XOIIFNDMMFQHQJ-HXUWFJFHSA-N 0 3 322.408 3.087 20 30 DGEDHN N#Cc1ccc(N2CCN(CCCC3CCCCC3)CC2)nc1 ZINC000582991308 324298976 /nfs/dbraw/zinc/29/89/76/324298976.db2.gz JFNFMKWZWWCQEL-UHFFFAOYSA-N 0 3 312.461 3.436 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(Br)s1 ZINC000309502773 331678617 /nfs/dbraw/zinc/67/86/17/331678617.db2.gz BGSPZHKSVDAXKJ-NXEZZACHSA-N 0 3 304.253 3.488 20 30 DGEDHN C=CCn1c(SCCN2C[C@H](C)C[C@@H](C)C2)nnc1C1CC1 ZINC000584183646 331859516 /nfs/dbraw/zinc/85/95/16/331859516.db2.gz PXLCBTCFRIDGRR-ZIAGYGMSSA-N 0 3 320.506 3.412 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000569430993 332081704 /nfs/dbraw/zinc/08/17/04/332081704.db2.gz IPCBFHOJOYMQJT-PBHICJAKSA-N 0 3 320.396 3.116 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000569430994 332081781 /nfs/dbraw/zinc/08/17/81/332081781.db2.gz IPCBFHOJOYMQJT-RHSMWYFYSA-N 0 3 320.396 3.116 20 30 DGEDHN C=CCCCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000560255057 332323680 /nfs/dbraw/zinc/32/36/80/332323680.db2.gz JGHMNXXJUKGKNW-DOTOQJQBSA-N 0 3 309.475 3.415 20 30 DGEDHN C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)C(=O)NC1(C#N)CCC1 ZINC000560278443 332326993 /nfs/dbraw/zinc/32/69/93/332326993.db2.gz QDOHFIWKNIULDD-KBPBESRZSA-N 0 3 311.429 3.166 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000583383390 332376833 /nfs/dbraw/zinc/37/68/33/332376833.db2.gz CDCZFWHYXSMFJT-PKOBYXMFSA-N 0 3 319.408 3.170 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000185030607 335108081 /nfs/dbraw/zinc/10/80/81/335108081.db2.gz BKAGPUDOQBDMBJ-CQSZACIVSA-N 0 3 304.459 3.051 20 30 DGEDHN C=CCOCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000293549267 335108988 /nfs/dbraw/zinc/10/89/88/335108988.db2.gz RAKAHLICBXVHOE-UHFFFAOYSA-N 0 3 307.821 3.437 20 30 DGEDHN C#CCOc1ccccc1CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293685809 335112277 /nfs/dbraw/zinc/11/22/77/335112277.db2.gz QFZYSUSJCMHEAP-LJQANCHMSA-N 0 3 311.425 3.090 20 30 DGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@H](C#N)CCC#N)CC3 ZINC000562282328 332567693 /nfs/dbraw/zinc/56/76/93/332567693.db2.gz XVNYMDLZEKBVIM-GJZGRUSLSA-N 0 3 306.413 3.367 20 30 DGEDHN CCOC(=O)[C@@]1(C(C)C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000582042453 333182300 /nfs/dbraw/zinc/18/23/00/333182300.db2.gz ODHLBMSCGPWHAC-IBGZPJMESA-N 0 3 317.404 3.088 20 30 DGEDHN Cc1cccc(C)c1OC[C@@H](O)CN1CCC(CCC#N)CC1 ZINC000563068780 333280323 /nfs/dbraw/zinc/28/03/23/333280323.db2.gz PRUZFLQOTNTEMI-SFHVURJKSA-N 0 3 316.445 3.059 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000068918477 333338439 /nfs/dbraw/zinc/33/84/39/333338439.db2.gz AZQKKOHONXBBSW-UHFFFAOYSA-N 0 3 311.212 3.277 20 30 DGEDHN COC[C@@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000337187231 333443046 /nfs/dbraw/zinc/44/30/46/333443046.db2.gz PWZUVJIHTRILEM-QGZVFWFLSA-N 0 3 320.408 3.203 20 30 DGEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(N2CCOC2=O)c1 ZINC000272056719 334030310 /nfs/dbraw/zinc/03/03/10/334030310.db2.gz VQBBOTJXEQIRIR-ZDUSSCGKSA-N 0 3 301.390 3.234 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(CC#N)cc1 ZINC000286267680 334152458 /nfs/dbraw/zinc/15/24/58/334152458.db2.gz QJQDANYSZSEQQT-UHFFFAOYSA-N 0 3 313.445 3.091 20 30 DGEDHN COc1ccccc1O[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000293732125 334201509 /nfs/dbraw/zinc/20/15/09/334201509.db2.gz ZHXIYDAIDSRHIC-OWCLPIDISA-N 0 3 300.402 3.231 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000534578871 334288722 /nfs/dbraw/zinc/28/87/22/334288722.db2.gz ZVYMIAIYYFKLET-KBPBESRZSA-N 0 3 320.392 3.453 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C2CC2)cn1 ZINC000532040456 334382126 /nfs/dbraw/zinc/38/21/26/334382126.db2.gz MQQPHDBWQBUALE-CQSZACIVSA-N 0 3 316.364 3.336 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000097079202 335839575 /nfs/dbraw/zinc/83/95/75/335839575.db2.gz CWUVDLCFCDCLHP-MAUKXSAKSA-N 0 3 315.461 3.372 20 30 DGEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000352805916 336242187 /nfs/dbraw/zinc/24/21/87/336242187.db2.gz SVYCQXWNVKUQDA-AEFFLSMTSA-N 0 3 313.445 3.222 20 30 DGEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000352805920 336242237 /nfs/dbraw/zinc/24/22/37/336242237.db2.gz SVYCQXWNVKUQDA-SJLPKXTDSA-N 0 3 313.445 3.222 20 30 DGEDHN C[C@H](N(C)CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC000532489470 336250298 /nfs/dbraw/zinc/25/02/98/336250298.db2.gz UOQGTPKGPSRSSW-HNNXBMFYSA-N 0 3 301.434 3.300 20 30 DGEDHN CN(C)C1(CN(C)C(=O)C[C@@H](CC#N)c2ccccc2)CCC1 ZINC000356976496 336568037 /nfs/dbraw/zinc/56/80/37/336568037.db2.gz QHWZEAHNVUSBMT-QGZVFWFLSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCc1cc(CN2CCC[C@H](OC)CC2)cc(OC)c1O ZINC000378633205 337077215 /nfs/dbraw/zinc/07/72/15/337077215.db2.gz NZKCGGHABLPGHL-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C[C@@]1(NCc2cccc(OCCCC#N)c2)CCO[C@@H]1C1CC1 ZINC000378650984 337077729 /nfs/dbraw/zinc/07/77/29/337077729.db2.gz PTPANXIWLVESBP-RTBURBONSA-N 0 3 314.429 3.416 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582728938 337126412 /nfs/dbraw/zinc/12/64/12/337126412.db2.gz CEDZFASIYJPLSF-CQSZACIVSA-N 0 3 308.853 3.314 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2cc(C)cc(C)c2)CC1 ZINC000178329698 337162079 /nfs/dbraw/zinc/16/20/79/337162079.db2.gz RSDVIIFDHLGNIN-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN CCOc1ccccc1OCCN1CCC(CCC#N)CC1 ZINC000399300502 337315116 /nfs/dbraw/zinc/31/51/16/337315116.db2.gz FPURCJAGAOEQFM-UHFFFAOYSA-N 0 3 302.418 3.480 20 30 DGEDHN Cc1nn2c(CN[C@@H]3CC[C@H](C#N)C3)c(C(C)C)nc2s1 ZINC000572273181 337602304 /nfs/dbraw/zinc/60/23/04/337602304.db2.gz UUOWNSTUVWOJKQ-NWDGAFQWSA-N 0 3 303.435 3.005 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2C)CC1 ZINC000264370485 337632413 /nfs/dbraw/zinc/63/24/13/337632413.db2.gz JPIPMJQUELUWJK-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN C=CCN1CCC(NC(=O)CSc2ccc(C)cc2C)CC1 ZINC000264488316 337632720 /nfs/dbraw/zinc/63/27/20/337632720.db2.gz NKNRXMLQEYJDCX-UHFFFAOYSA-N 0 3 318.486 3.162 20 30 DGEDHN C=CCN1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC000527657229 337756591 /nfs/dbraw/zinc/75/65/91/337756591.db2.gz PHNGPGCALFQGOU-UHFFFAOYSA-N 0 3 300.780 3.358 20 30 DGEDHN C=CCc1cc(CN[C@@H]2C[C@]2(C)OC(C)C)cc(OC)c1O ZINC000527802091 337764931 /nfs/dbraw/zinc/76/49/31/337764931.db2.gz ZEHAFFGADHGQKC-AEFFLSMTSA-N 0 3 305.418 3.175 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1F)C(C)C ZINC000046049363 337831657 /nfs/dbraw/zinc/83/16/57/337831657.db2.gz HXVSWRFARIFKFK-KRWDZBQOSA-N 0 3 304.409 3.254 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000449700540 338646979 /nfs/dbraw/zinc/64/69/79/338646979.db2.gz UDIQHJCTENADCL-CYBMUJFWSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1ccccc1CN[C@H](CC)C1(C(=O)OC)CCC1 ZINC000498932248 340026430 /nfs/dbraw/zinc/02/64/30/340026430.db2.gz XCJUPUKARCZBON-QGZVFWFLSA-N 0 3 317.429 3.463 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H](CC)C1(C(=O)OC)CCC1 ZINC000498932247 340026495 /nfs/dbraw/zinc/02/64/95/340026495.db2.gz XCJUPUKARCZBON-KRWDZBQOSA-N 0 3 317.429 3.463 20 30 DGEDHN C=CCN1CC[C@@H](N(C)CCCc2cccc3ccccc32)C1=O ZINC000499934220 340047167 /nfs/dbraw/zinc/04/71/67/340047167.db2.gz FZEVGILQDPKPEB-HXUWFJFHSA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCNC(=O)CNC/C(C)=C\c1ccccc1C(F)(F)F ZINC000500364541 340055723 /nfs/dbraw/zinc/05/57/23/340055723.db2.gz GGIIFNXIXIAHMB-XFXZXTDPSA-N 0 3 312.335 3.001 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000503432798 340128192 /nfs/dbraw/zinc/12/81/92/340128192.db2.gz ABONKRQDPKAUBE-KSZLIROESA-N 0 3 321.509 3.373 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccccc1)C(C)C ZINC000503442426 340128447 /nfs/dbraw/zinc/12/84/47/340128447.db2.gz RMIAREZFTJQSDP-SFHVURJKSA-N 0 3 315.461 3.184 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000505040263 340159725 /nfs/dbraw/zinc/15/97/25/340159725.db2.gz UCAKQOZOOGXECH-WMZOPIPTSA-N 0 3 313.445 3.363 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000509576889 340273840 /nfs/dbraw/zinc/27/38/40/340273840.db2.gz ILAOZGQRXZGROR-LSDHHAIUSA-N 0 3 305.422 3.092 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000303477166 340327411 /nfs/dbraw/zinc/32/74/11/340327411.db2.gz SBPPAMKEEVRODB-OAHLLOKOSA-N 0 3 307.482 3.247 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177369067 340439860 /nfs/dbraw/zinc/43/98/60/340439860.db2.gz NLMSUWHVWSNTQI-QXSJWSMHSA-N 0 3 321.465 3.304 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2cccc(Br)c2)C1 ZINC000185793592 340505354 /nfs/dbraw/zinc/50/53/54/340505354.db2.gz RJLDTIKUVYRJOZ-TZMCWYRMSA-N 0 3 323.234 3.500 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cccc(C)c1)C(C)C ZINC000523655345 340630916 /nfs/dbraw/zinc/63/09/16/340630916.db2.gz IWWVNCZHINSIIR-IBGZPJMESA-N 0 3 314.473 3.352 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000528446561 340719462 /nfs/dbraw/zinc/71/94/62/340719462.db2.gz AZOZKLDLEILVFQ-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000538569638 340833807 /nfs/dbraw/zinc/83/38/07/340833807.db2.gz GHNPFNUOMGQOPN-MSOLQXFVSA-N 0 3 315.461 3.477 20 30 DGEDHN CCC[C@@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000543560853 341049136 /nfs/dbraw/zinc/04/91/36/341049136.db2.gz CJRAEAMKTDQRII-MRXNPFEDSA-N 0 3 305.466 3.326 20 30 DGEDHN C=C(C)CN1CCC(N[C@H](c2ccccc2)c2cncnc2)CC1 ZINC000543592900 341049879 /nfs/dbraw/zinc/04/98/79/341049879.db2.gz KCZFCFDZPKKWIT-HXUWFJFHSA-N 0 3 322.456 3.196 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COCc1cccs1 ZINC000131076116 341057811 /nfs/dbraw/zinc/05/78/11/341057811.db2.gz LNDXFAFVXQDZIY-KRWDZBQOSA-N 0 3 317.454 3.314 20 30 DGEDHN Cn1ccnc1COc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000543807674 341059904 /nfs/dbraw/zinc/05/99/04/341059904.db2.gz MNYZEVCCQZUXRB-UHFFFAOYSA-N 0 3 324.428 3.125 20 30 DGEDHN CC[C@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000072601503 341093151 /nfs/dbraw/zinc/09/31/51/341093151.db2.gz RJBHHTQCYHXINQ-HNNXBMFYSA-N 0 3 301.434 3.280 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@](C)(CCC)C2)CC1 ZINC000074132389 341129471 /nfs/dbraw/zinc/12/94/71/341129471.db2.gz RFDWOQMNLWSQGP-SFHVURJKSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000080079577 341269180 /nfs/dbraw/zinc/26/91/80/341269180.db2.gz WDVXJXNGRQLDLV-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN CN(C(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21)C1(C#N)CCCCC1 ZINC000550078465 341309532 /nfs/dbraw/zinc/30/95/32/341309532.db2.gz CXXOEJRLRJWEFP-CVEARBPZSA-N 0 3 317.477 3.182 20 30 DGEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247142408 341361425 /nfs/dbraw/zinc/36/14/25/341361425.db2.gz XWEVBKCTOCFYAH-RBUKOAKNSA-N 0 3 313.445 3.124 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000552211670 341378570 /nfs/dbraw/zinc/37/85/70/341378570.db2.gz VUPMYFBLDXJNRC-INIZCTEOSA-N 0 3 320.864 3.295 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000249297382 341396157 /nfs/dbraw/zinc/39/61/57/341396157.db2.gz BWOIRPDHNYRMRE-CABCVRRESA-N 0 3 304.459 3.474 20 30 DGEDHN COc1cc(CN(C)CCOc2ccccc2F)ccc1C#N ZINC000442795788 533785736 /nfs/dbraw/zinc/78/57/36/533785736.db2.gz CMZXHTDRWZBSCD-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000339067470 534010802 /nfs/dbraw/zinc/01/08/02/534010802.db2.gz KLZDZDSEOOOKMN-AHIWAGSCSA-N 0 3 312.417 3.313 20 30 DGEDHN C=C(CC)CN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001473589964 1183778109 /nfs/dbraw/zinc/77/81/09/1183778109.db2.gz LZUFUIXCJBBDPD-CYBMUJFWSA-N 0 3 311.223 3.263 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ncc(C#N)cc2F)C1 ZINC000413071960 534133741 /nfs/dbraw/zinc/13/37/41/534133741.db2.gz MJNDJBSDVRUESS-CJNGLKHVSA-N 0 3 310.376 3.340 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@@H]1CCCC[C@H]1C ZINC001498661813 1185530263 /nfs/dbraw/zinc/53/02/63/1185530263.db2.gz ZQVVMMOJBLIDSS-HIFRSBDPSA-N 0 3 300.874 3.393 20 30 DGEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000345839031 534284705 /nfs/dbraw/zinc/28/47/05/534284705.db2.gz IMUJVGDFLQLKDI-ZIAGYGMSSA-N 0 3 321.380 3.276 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458909868 534334753 /nfs/dbraw/zinc/33/47/53/534334753.db2.gz YOVMYLYUVFEZCJ-XJKSGUPXSA-N 0 3 321.490 3.275 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469423819 534338834 /nfs/dbraw/zinc/33/88/34/534338834.db2.gz FPVABRUYBZUTAH-FUHWJXTLSA-N 0 3 317.477 3.407 20 30 DGEDHN C=CCc1cc(CN2CCSC[C@H]2C2CC2)cc(OC)c1O ZINC000449527267 534412083 /nfs/dbraw/zinc/41/20/83/534412083.db2.gz HEBUJBQQQZIAHP-INIZCTEOSA-N 0 3 319.470 3.457 20 30 DGEDHN C[C@@H]1CN(CCC(C)(C)C#N)[C@@H](C)CN1CCC(C)(C)C#N ZINC000345734685 534461289 /nfs/dbraw/zinc/46/12/89/534461289.db2.gz DOFPWSCBOUACQZ-IYBDPMFKSA-N 0 3 304.482 3.261 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCCOc1ccccc1C(F)(F)F ZINC000451601547 534609271 /nfs/dbraw/zinc/60/92/71/534609271.db2.gz AGMXGZHQPOKDBE-OLZOCXBDSA-N 0 3 301.308 3.017 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000156542583 522782341 /nfs/dbraw/zinc/78/23/41/522782341.db2.gz CKCMRGHYZKLIOA-HXUWFJFHSA-N 0 3 324.424 3.383 20 30 DGEDHN C=CCCCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000472169824 534683944 /nfs/dbraw/zinc/68/39/44/534683944.db2.gz JMTIGTSNBWLOES-GOSISDBHSA-N 0 3 315.461 3.164 20 30 DGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(OCC)cc1 ZINC000489449171 534695451 /nfs/dbraw/zinc/69/54/51/534695451.db2.gz NTOJHSWJLAAUJD-INIZCTEOSA-N 0 3 302.418 3.454 20 30 DGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000489451235 534695676 /nfs/dbraw/zinc/69/56/76/534695676.db2.gz SISAOJBXRHAVHB-KRWDZBQOSA-N 0 3 300.402 3.258 20 30 DGEDHN N#CCSCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173882960 534707460 /nfs/dbraw/zinc/70/74/60/534707460.db2.gz UNQYIIOAMJDFOQ-UHFFFAOYSA-N 0 3 315.442 3.048 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349803151 534754767 /nfs/dbraw/zinc/75/47/67/534754767.db2.gz PQMLDPQQHFUEBA-WCQYABFASA-N 0 3 306.793 3.283 20 30 DGEDHN C=CCC[C@H](O)CN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915251 534806148 /nfs/dbraw/zinc/80/61/48/534806148.db2.gz TZWWRXZIWAYUSH-GJZGRUSLSA-N 0 3 318.244 3.118 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000495978349 534903769 /nfs/dbraw/zinc/90/37/69/534903769.db2.gz BTZUFVYZFDRMAD-HNNXBMFYSA-N 0 3 321.465 3.450 20 30 DGEDHN C=CCN(CCC(C)(C)C(=O)OC)Cc1cccc(C#N)c1 ZINC000338549507 526272487 /nfs/dbraw/zinc/27/24/87/526272487.db2.gz RODAHZBCCHXZKW-UHFFFAOYSA-N 0 3 300.402 3.136 20 30 DGEDHN C=CCN(CCC(C)(C)C#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000345717962 526273235 /nfs/dbraw/zinc/27/32/35/526273235.db2.gz VDAXIMFQQUWPKN-HNNXBMFYSA-N 0 3 324.432 3.151 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000185135386 526296502 /nfs/dbraw/zinc/29/65/02/526296502.db2.gz BTOOWABTWKBIQS-INIZCTEOSA-N 0 3 306.475 3.441 20 30 DGEDHN CC#CCCNCc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000354179682 526337021 /nfs/dbraw/zinc/33/70/21/526337021.db2.gz ODNKSHUVLVEEJW-UHFFFAOYSA-N 0 3 303.356 3.270 20 30 DGEDHN CC#CCCNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428083670 526338860 /nfs/dbraw/zinc/33/88/60/526338860.db2.gz KNKBORIPKXGSIX-UHFFFAOYSA-N 0 3 321.346 3.453 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000355416493 526359908 /nfs/dbraw/zinc/35/99/08/526359908.db2.gz XDWUMTZSFGQVNB-HUUCEWRRSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153192219 526374487 /nfs/dbraw/zinc/37/44/87/526374487.db2.gz YXIIPRQMYTYRQW-HRCADAONSA-N 0 3 318.486 3.383 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cnn([C@H](C)CC)c2C)CC1 ZINC000331103332 526413499 /nfs/dbraw/zinc/41/34/99/526413499.db2.gz PPNQGVFPGBLPDB-CYBMUJFWSA-N 0 3 304.438 3.118 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2(CC(C)C)CCC2)CC1 ZINC000176586846 526432177 /nfs/dbraw/zinc/43/21/77/526432177.db2.gz BOXLATZAMQJCSW-UHFFFAOYSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000413249412 526436323 /nfs/dbraw/zinc/43/63/23/526436323.db2.gz YRBTUAGPGUNCQV-JKSUJKDBSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000357820562 526445064 /nfs/dbraw/zinc/44/50/64/526445064.db2.gz ODPHJUKLXSVLIT-FQEVSTJZSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000171721431 526448015 /nfs/dbraw/zinc/44/80/15/526448015.db2.gz WZPBTTFVNXJJQM-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN C=CCN1CC[C@@H](N(Cc2cccc(C)c2)CC(C)C)C1=O ZINC000337144106 526474920 /nfs/dbraw/zinc/47/49/20/526474920.db2.gz WGRKLEQMAQYVOP-GOSISDBHSA-N 0 3 300.446 3.240 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2cc(C)cc(C)c2)CC1 ZINC000129709582 526581900 /nfs/dbraw/zinc/58/19/00/526581900.db2.gz LJCOWHDJBDXVSZ-UHFFFAOYSA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(CCC)s2)CC1 ZINC000180810258 526596093 /nfs/dbraw/zinc/59/60/93/526596093.db2.gz BSLSKGRSIXMIGW-UHFFFAOYSA-N 0 3 322.478 3.258 20 30 DGEDHN C=C(C)CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000157623226 526618507 /nfs/dbraw/zinc/61/85/07/526618507.db2.gz OATSABIZSRGEJX-UHFFFAOYSA-N 0 3 317.433 3.249 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180917591 526628032 /nfs/dbraw/zinc/62/80/32/526628032.db2.gz NBCOKTPBCMTQID-HUUCEWRRSA-N 0 3 309.413 3.090 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000352273130 526635111 /nfs/dbraw/zinc/63/51/11/526635111.db2.gz YLCIWJZQJZVPRK-OLZOCXBDSA-N 0 3 300.377 3.320 20 30 DGEDHN C=C(C)COc1cc(CN[C@@]2(C)CCO[C@@H]2C)ccc1OC ZINC000344394382 526662976 /nfs/dbraw/zinc/66/29/76/526662976.db2.gz LAWGVGGQTSVAPU-KDOFPFPSSA-N 0 3 305.418 3.307 20 30 DGEDHN C#CCC(C)(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000185586171 526665475 /nfs/dbraw/zinc/66/54/75/526665475.db2.gz UQVCSKSWAACIRS-INIZCTEOSA-N 0 3 312.457 3.378 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000340378044 526667111 /nfs/dbraw/zinc/66/71/11/526667111.db2.gz WHVPYQMRAURANQ-OAHLLOKOSA-N 0 3 317.433 3.199 20 30 DGEDHN C#CCCCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280751999 526715704 /nfs/dbraw/zinc/71/57/04/526715704.db2.gz NJYKYOVNJKKQBF-CYBMUJFWSA-N 0 3 305.727 3.395 20 30 DGEDHN C=CCOCCCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000347968923 526754165 /nfs/dbraw/zinc/75/41/65/526754165.db2.gz RRNDXYBJNWHTJS-KRWDZBQOSA-N 0 3 305.418 3.433 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000351483409 526849119 /nfs/dbraw/zinc/84/91/19/526849119.db2.gz OJAQOBYDEFICHE-HOTGVXAUSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCOc1ccc(CN2CCN(C)C[C@H]2C(C)C)cc1OC ZINC000355362664 526867411 /nfs/dbraw/zinc/86/74/11/526867411.db2.gz HIPBEQBJTXITEK-KRWDZBQOSA-N 0 3 318.461 3.032 20 30 DGEDHN C=C(CNC(=O)NCc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000349613621 526872706 /nfs/dbraw/zinc/87/27/06/526872706.db2.gz FZLSKJZZHAOGES-UHFFFAOYSA-N 0 3 323.440 3.261 20 30 DGEDHN C=CCOc1ccc(CNCCc2cnccn2)cc1Cl ZINC000341392354 526886039 /nfs/dbraw/zinc/88/60/39/526886039.db2.gz XAXLUYSRGMHJGC-UHFFFAOYSA-N 0 3 303.793 3.027 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)cc1 ZINC000343403906 526889233 /nfs/dbraw/zinc/88/92/33/526889233.db2.gz YNDBMWSKIOBUSR-RTBURBONSA-N 0 3 310.397 3.266 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@H](OC)C2(C)C)cc1OC ZINC000344701728 526890919 /nfs/dbraw/zinc/89/09/19/526890919.db2.gz RXHCQBDYPHUHCT-IRXDYDNUSA-N 0 3 305.418 3.163 20 30 DGEDHN C=C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2C(F)(F)F)CC1 ZINC000339987454 526898467 /nfs/dbraw/zinc/89/84/67/526898467.db2.gz VGKASHQHMIVHQJ-STQMWFEESA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000354565838 526898665 /nfs/dbraw/zinc/89/86/65/526898665.db2.gz MAOILOSOCSORET-LJQANCHMSA-N 0 3 303.446 3.482 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000346815860 526904581 /nfs/dbraw/zinc/90/45/81/526904581.db2.gz BDGLCHDPYJMOGW-GOSISDBHSA-N 0 3 315.388 3.084 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H](C)CC(=O)OC(C)(C)C ZINC000344224383 526950524 /nfs/dbraw/zinc/95/05/24/526950524.db2.gz UWRWOTJOMXRVHP-AWEZNQCLSA-N 0 3 305.418 3.461 20 30 DGEDHN CC(C)(CCC#N)CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000179483748 526983170 /nfs/dbraw/zinc/98/31/70/526983170.db2.gz ZEUPHNFZSAOAJI-UHFFFAOYSA-N 0 3 313.445 3.164 20 30 DGEDHN C=CCC(C)(C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000339416313 527018593 /nfs/dbraw/zinc/01/85/93/527018593.db2.gz HEIIEHXXDIFNCL-UHFFFAOYSA-N 0 3 308.378 3.304 20 30 DGEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(S(=O)(=O)CC)s1 ZINC000355129848 527034388 /nfs/dbraw/zinc/03/43/88/527034388.db2.gz XHIBEVVCYMUHSS-NEPJUHHUSA-N 0 3 301.477 3.232 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000350830235 527045398 /nfs/dbraw/zinc/04/53/98/527045398.db2.gz OMDFTGKLVIMAMU-QZTJIDSGSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000338603959 527073725 /nfs/dbraw/zinc/07/37/25/527073725.db2.gz PRQSLXIKSIANEX-SFHVURJKSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CC[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000352986551 527136472 /nfs/dbraw/zinc/13/64/72/527136472.db2.gz KIGWXBIIVWDAFN-GOEBONIOSA-N 0 3 322.399 3.225 20 30 DGEDHN CC(=O)c1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[O-] ZINC000331347140 527220384 /nfs/dbraw/zinc/22/03/84/527220384.db2.gz MINIMEVXHAMMCL-UHFFFAOYSA-N 0 3 318.417 3.162 20 30 DGEDHN C=CC[C@H]1N(Cc2cc(=O)n3ccsc3n2)CCCC1(C)C ZINC000444786422 527226510 /nfs/dbraw/zinc/22/65/10/527226510.db2.gz ODACAEIGOCINFB-CQSZACIVSA-N 0 3 317.458 3.323 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415983441 527267727 /nfs/dbraw/zinc/26/77/27/527267727.db2.gz GLSPOHUTXXESCP-CYBMUJFWSA-N 0 3 303.406 3.035 20 30 DGEDHN C=CCCN(C)CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000342722794 527318910 /nfs/dbraw/zinc/31/89/10/527318910.db2.gz PHMPAWZVNODHIA-SFHVURJKSA-N 0 3 316.445 3.257 20 30 DGEDHN C=CCn1c([C@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC000337837050 527357005 /nfs/dbraw/zinc/35/70/05/527357005.db2.gz CORLJAIMGDIZKF-OAHLLOKOSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCCOCCN[C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359314243 527368457 /nfs/dbraw/zinc/36/84/57/527368457.db2.gz PJEVRYROISBANJ-MRXNPFEDSA-N 0 3 304.390 3.413 20 30 DGEDHN C=C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338052339 527408280 /nfs/dbraw/zinc/40/82/80/527408280.db2.gz UGQWWPJOWQMUML-NVXWUHKLSA-N 0 3 315.461 3.161 20 30 DGEDHN CC(C)(C#N)CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277825716 527465974 /nfs/dbraw/zinc/46/59/74/527465974.db2.gz RFIZPXJOQCONRF-UHFFFAOYSA-N 0 3 300.446 3.243 20 30 DGEDHN CC(C)(C#N)CCN[C@@H](CO)c1ccc(Br)cc1 ZINC000346950127 527467232 /nfs/dbraw/zinc/46/72/32/527467232.db2.gz BPGNTHACONBPGB-ZDUSSCGKSA-N 0 3 311.223 3.012 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N(C)CCN1CCCC1 ZINC000337586629 527505856 /nfs/dbraw/zinc/50/58/56/527505856.db2.gz FPHKKDUOJQTYHL-UHFFFAOYSA-N 0 3 301.434 3.365 20 30 DGEDHN C=CCCc1ccccc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415677947 527508894 /nfs/dbraw/zinc/50/88/94/527508894.db2.gz VPKPLPNWGNYXLE-CZUORRHYSA-N 0 3 317.433 3.040 20 30 DGEDHN C=CCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000357595646 527538768 /nfs/dbraw/zinc/53/87/68/527538768.db2.gz ZMIOHRAGUOMVKB-SFHVURJKSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(CC)CC ZINC000432444625 527562326 /nfs/dbraw/zinc/56/23/26/527562326.db2.gz PULGENRHVQHXPT-SFHVURJKSA-N 0 3 317.477 3.459 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(C(=O)OC)ccc1Cl ZINC000429708068 527572307 /nfs/dbraw/zinc/57/23/07/527572307.db2.gz IPOORIXGAXSWAP-UHFFFAOYSA-N 0 3 324.852 3.066 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(SC)c(OC)c1 ZINC000429726704 527572523 /nfs/dbraw/zinc/57/25/23/527572523.db2.gz SIHKCQRMKSJRET-UHFFFAOYSA-N 0 3 308.491 3.357 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cccc(Cl)c1C ZINC000429716419 527572693 /nfs/dbraw/zinc/57/26/93/527572693.db2.gz OOTMIVAOKPKFTL-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000429724060 527575084 /nfs/dbraw/zinc/57/50/84/527575084.db2.gz WINMJZCQILFFLW-KRWDZBQOSA-N 0 3 317.477 3.070 20 30 DGEDHN CC(C)C1CCC(N(C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000433175430 527639418 /nfs/dbraw/zinc/63/94/18/527639418.db2.gz OEKJQOFMKXPVEG-HTWSVDAQSA-N 0 3 307.482 3.187 20 30 DGEDHN C=Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000340365530 527643958 /nfs/dbraw/zinc/64/39/58/527643958.db2.gz KZAYOKGZTMWJEA-OAHLLOKOSA-N 0 3 306.369 3.138 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCCS1)C(C)C ZINC000341089462 527647452 /nfs/dbraw/zinc/64/74/52/527647452.db2.gz JDJOYZFKKPAGAB-HOTGVXAUSA-N 0 3 310.507 3.087 20 30 DGEDHN CC(C)(C)C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346943624 527694105 /nfs/dbraw/zinc/69/41/05/527694105.db2.gz LGVIHLLSYQLVRT-MRXNPFEDSA-N 0 3 313.445 3.316 20 30 DGEDHN CCN1CCN(c2ccc(N[C@H]3CC[C@H](C#N)C3)c(C)c2)CC1 ZINC000442872845 527708184 /nfs/dbraw/zinc/70/81/84/527708184.db2.gz OAIPUIKUBWSEHY-IRXDYDNUSA-N 0 3 312.461 3.241 20 30 DGEDHN CC(C)[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000444771868 527775546 /nfs/dbraw/zinc/77/55/46/527775546.db2.gz LIDVPSXSNVKDLG-KRWDZBQOSA-N 0 3 313.445 3.301 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)c(OC)c2)C1(C)C ZINC000442883653 527801995 /nfs/dbraw/zinc/80/19/95/527801995.db2.gz HZNCPHMMUWXCJX-IAGOWNOFSA-N 0 3 302.418 3.202 20 30 DGEDHN CCN(CC(=O)Nc1cccc(OC)c1)CC(C)(C)CCC#N ZINC000160652305 527926655 /nfs/dbraw/zinc/92/66/55/527926655.db2.gz NCTAFUMTYVYFFZ-UHFFFAOYSA-N 0 3 317.433 3.286 20 30 DGEDHN CCN(CC(=O)Nc1ccccc1OC)CC(C)(C)CCC#N ZINC000178857029 527930481 /nfs/dbraw/zinc/93/04/81/527930481.db2.gz IQPDEPMPDYNAND-UHFFFAOYSA-N 0 3 317.433 3.286 20 30 DGEDHN CCC[C@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000410831461 527964525 /nfs/dbraw/zinc/96/45/25/527964525.db2.gz ZITGACFDAOXICE-GOSISDBHSA-N 0 3 313.445 3.437 20 30 DGEDHN CCO[C@H](C)c1ncc(C(=O)NC2CCN(CC)CC2)s1 ZINC000330880730 528012160 /nfs/dbraw/zinc/01/21/60/528012160.db2.gz BUGMEFAYHIOPDC-LLVKDONJSA-N 0 3 311.451 3.030 20 30 DGEDHN CCO[C@H](CNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000441339667 528057973 /nfs/dbraw/zinc/05/79/73/528057973.db2.gz ZUGNWVYTXFOXGT-LJQANCHMSA-N 0 3 310.397 3.434 20 30 DGEDHN CC(C)Oc1ccc([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185832439 528205228 /nfs/dbraw/zinc/20/52/28/528205228.db2.gz IGFMXYLHJOFJRL-LESCRADOSA-N 0 3 302.418 3.179 20 30 DGEDHN CCOc1cc2c(cc1CN[C@@H]1CC[C@@H](C#N)C1)O[C@H](C)C2 ZINC000349830691 528341297 /nfs/dbraw/zinc/34/12/97/528341297.db2.gz QYPSQWWPYNXOLJ-XJKCOSOUSA-N 0 3 300.402 3.191 20 30 DGEDHN CCC[C@]1(NCc2cccc(OCCCC#N)c2)CCOC1 ZINC000353013375 528530170 /nfs/dbraw/zinc/53/01/70/528530170.db2.gz AOUANTWCVYUWMU-SFHVURJKSA-N 0 3 302.418 3.418 20 30 DGEDHN CC(C)[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(F)cc1 ZINC000337389595 528597178 /nfs/dbraw/zinc/59/71/78/528597178.db2.gz GYEQXULLORWFPH-XJKSGUPXSA-N 0 3 317.408 3.063 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000181656561 528697409 /nfs/dbraw/zinc/69/74/09/528697409.db2.gz BCKLNLWNHKKZSU-CVEARBPZSA-N 0 3 323.440 3.499 20 30 DGEDHN CCOc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433307999 528729152 /nfs/dbraw/zinc/72/91/52/528729152.db2.gz WPURLOVABIFSIG-KRWDZBQOSA-N 0 3 322.408 3.474 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000343566533 528856389 /nfs/dbraw/zinc/85/63/89/528856389.db2.gz TVPSCZRBPUKBEF-POZUXBRTSA-N 0 3 313.445 3.170 20 30 DGEDHN CC(C)N(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccccc1 ZINC000299375435 528942900 /nfs/dbraw/zinc/94/29/00/528942900.db2.gz MBIFODDILCFZAE-LJQANCHMSA-N 0 3 324.424 3.209 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccnn2[C@@H](C)CC(C)C)CC1 ZINC000330880484 528960412 /nfs/dbraw/zinc/96/04/12/528960412.db2.gz MWWOLFJYYCTDRY-AWEZNQCLSA-N 0 3 321.469 3.300 20 30 DGEDHN CC[C@H](C)Oc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccn1 ZINC000330708030 529187421 /nfs/dbraw/zinc/18/74/21/529187421.db2.gz MQJREQMFSPLKCV-VNHYZAJKSA-N 0 3 305.422 3.046 20 30 DGEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000444670072 529205740 /nfs/dbraw/zinc/20/57/40/529205740.db2.gz DUKYJAZVMMZHQL-ROUUACIJSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000444677419 529205766 /nfs/dbraw/zinc/20/57/66/529205766.db2.gz PQOGCWRIUMCEQW-ROUUACIJSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCCCC(=O)NC1CCN(CCCC(C)(C)C#N)CC1 ZINC000472429509 534967160 /nfs/dbraw/zinc/96/71/60/534967160.db2.gz HJMLTUKGKJUHNO-UHFFFAOYSA-N 0 3 307.482 3.477 20 30 DGEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000451791270 535543029 /nfs/dbraw/zinc/54/30/29/535543029.db2.gz ZRYXBGDRWNHGMO-CVEARBPZSA-N 0 3 305.805 3.013 20 30 DGEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000451777883 535543726 /nfs/dbraw/zinc/54/37/26/535543726.db2.gz WSQSCTDMVFTVKQ-CVEARBPZSA-N 0 3 305.805 3.013 20 30 DGEDHN CN(C)CCN(C(=O)Nc1cccc(CC#N)c1)C1CCCC1 ZINC000455914630 535843937 /nfs/dbraw/zinc/84/39/37/535843937.db2.gz GXNWPYHCXKTBDH-UHFFFAOYSA-N 0 3 314.433 3.091 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](CO)CC(C)C)ccc1OC ZINC000057966653 545701770 /nfs/dbraw/zinc/70/17/70/545701770.db2.gz XWZUHPDQYVFTNV-INIZCTEOSA-N 0 3 307.434 3.147 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H](CCO)C2)ccc1OC ZINC000093107663 545852708 /nfs/dbraw/zinc/85/27/08/545852708.db2.gz CKBCLZCVINYSCJ-INIZCTEOSA-N 0 3 319.445 3.245 20 30 DGEDHN C=CCc1cc(CN2CCC[C@H](OCC)C2)cc(OC)c1O ZINC000155478843 546028258 /nfs/dbraw/zinc/02/82/58/546028258.db2.gz VEIBUDZJAOQDPL-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCOCCNCc1ccc(Br)c(Cl)c1 ZINC000303872847 546440743 /nfs/dbraw/zinc/44/07/43/546440743.db2.gz RAXIEPRGZARZGE-UHFFFAOYSA-N 0 3 304.615 3.395 20 30 DGEDHN COc1nc(C)cc(C)c1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000329160430 546483503 /nfs/dbraw/zinc/48/35/03/546483503.db2.gz FFCLMSQKHURQEB-INIZCTEOSA-N 0 3 317.433 3.038 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)CCc2nc3ccccc3o2)CCN1C ZINC000329503183 546486317 /nfs/dbraw/zinc/48/63/17/546486317.db2.gz AOPCYLCNFNGCDZ-OLZOCXBDSA-N 0 3 301.390 3.200 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513264978 546951725 /nfs/dbraw/zinc/95/17/25/546951725.db2.gz BAJNCDJVTFDOAJ-AEFFLSMTSA-N 0 3 300.446 3.494 20 30 DGEDHN CC(C)(NCc1ccc(CC#N)cc1)C(=O)Nc1ccccc1 ZINC000612101697 547043012 /nfs/dbraw/zinc/04/30/12/547043012.db2.gz FSNLZDLMNBJKAB-UHFFFAOYSA-N 0 3 307.397 3.260 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(F)F)nc2)CC1 ZINC000667637093 547252725 /nfs/dbraw/zinc/25/27/25/547252725.db2.gz HMGNQDHQKWWOFQ-UHFFFAOYSA-N 0 3 324.375 3.181 20 30 DGEDHN C=CCOc1ccc(CN2CC(COC)(C3CCC3)C2)cc1 ZINC000668511692 547470000 /nfs/dbraw/zinc/47/00/00/547470000.db2.gz GTQLNCKWXGKAPV-UHFFFAOYSA-N 0 3 301.430 3.500 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCN(C)C[C@H]1CC)c1ccccc1 ZINC000670379638 547746637 /nfs/dbraw/zinc/74/66/37/547746637.db2.gz HWFKGIAZVCRPDJ-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000672577808 547892154 /nfs/dbraw/zinc/89/21/54/547892154.db2.gz UDLRYRXEWFHHTG-GOSISDBHSA-N 0 3 302.393 3.423 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000673235111 547949752 /nfs/dbraw/zinc/94/97/52/547949752.db2.gz KXOVIOPMPJTSDR-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C[C@@H](C)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000674957359 548142194 /nfs/dbraw/zinc/14/21/94/548142194.db2.gz TVILCCVVWQZFDW-CVEARBPZSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C)nc1)C(C)C ZINC000676266200 548338861 /nfs/dbraw/zinc/33/88/61/548338861.db2.gz IHOBCGJENKVYHG-KRWDZBQOSA-N 0 3 316.449 3.210 20 30 DGEDHN COCC#CCNC1(c2cccc(Br)c2)CCC1 ZINC000677479949 548505510 /nfs/dbraw/zinc/50/55/10/548505510.db2.gz SGVUFAZXUQHPND-UHFFFAOYSA-N 0 3 308.219 3.068 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(CC)[C@H](C)C2)ccc1OC ZINC000678260820 548659054 /nfs/dbraw/zinc/65/90/54/548659054.db2.gz FCWLTFMKJLBEIW-MRXNPFEDSA-N 0 3 318.461 3.176 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000678752050 548756387 /nfs/dbraw/zinc/75/63/87/548756387.db2.gz PABRHKPWZDHPMH-GDBMZVCRSA-N 0 3 307.434 3.318 20 30 DGEDHN C=CCOCCNc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000679471371 548900359 /nfs/dbraw/zinc/90/03/59/548900359.db2.gz HBQFNKWPZLKHGH-UHFFFAOYSA-N 0 3 308.328 3.181 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000679576746 548919932 /nfs/dbraw/zinc/91/99/32/548919932.db2.gz SBEFUUIYYWBYEJ-LLVKDONJSA-N 0 3 301.333 3.150 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000679937644 548966483 /nfs/dbraw/zinc/96/64/83/548966483.db2.gz GMJBLUGBIYUVFC-OALUTQOASA-N 0 3 302.462 3.130 20 30 DGEDHN COCC#CCN[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000680414113 549050531 /nfs/dbraw/zinc/05/05/31/549050531.db2.gz PHRODBRABOVXQE-ZDUSSCGKSA-N 0 3 300.427 3.419 20 30 DGEDHN C=CC[C@@H](CO)NCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000680483730 549058011 /nfs/dbraw/zinc/05/80/11/549058011.db2.gz APCXRLDROGVFEM-HNNXBMFYSA-N 0 3 319.836 3.169 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000680991966 549141335 /nfs/dbraw/zinc/14/13/35/549141335.db2.gz JIOJTNPVQCPUMJ-KXBFYZLASA-N 0 3 313.828 3.446 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cnc(-c2ccccc2)nc1 ZINC000684767714 549690215 /nfs/dbraw/zinc/69/02/15/549690215.db2.gz QCDFMOZQRRVKDT-ZWKOTPCHSA-N 0 3 309.413 3.214 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000685591641 549779333 /nfs/dbraw/zinc/77/93/33/549779333.db2.gz OPQUZHSOWKVIQR-HNNXBMFYSA-N 0 3 304.365 3.083 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685621775 549781648 /nfs/dbraw/zinc/78/16/48/549781648.db2.gz DCCVSVNVAUFKBI-DOMZBBRYSA-N 0 3 315.335 3.482 20 30 DGEDHN C=CCOC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000731252802 574546043 /nfs/dbraw/zinc/54/60/43/574546043.db2.gz QMTUIVMQRBTPKN-HNNXBMFYSA-N 0 3 303.402 3.283 20 30 DGEDHN C#CCOc1cccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000731011185 574541637 /nfs/dbraw/zinc/54/16/37/574541637.db2.gz KGYGZIDFALRHJX-SFHVURJKSA-N 0 3 314.429 3.148 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707602 574579548 /nfs/dbraw/zinc/57/95/48/574579548.db2.gz BBXDCLGGCCOOJE-KQQSKNTNSA-N 0 3 306.365 3.394 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCSCC1 ZINC000733053577 574593382 /nfs/dbraw/zinc/59/33/82/574593382.db2.gz NYUYBDOAZWVVSB-ZDUSSCGKSA-N 0 3 322.817 3.131 20 30 DGEDHN C#CCOc1ccc(CNCCN2CCCc3ccccc32)cc1 ZINC000733325410 574615745 /nfs/dbraw/zinc/61/57/45/574615745.db2.gz GUYJZPNXWBRTNI-UHFFFAOYSA-N 0 3 320.436 3.241 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)COc2cccc(F)c2)cc1 ZINC000733325386 574615977 /nfs/dbraw/zinc/61/59/77/574615977.db2.gz KZQIEWJDKHAUJV-OAHLLOKOSA-N 0 3 313.372 3.395 20 30 DGEDHN C#CCOc1ccccc1CNCc1cccc(-n2cccn2)c1 ZINC000735321625 574697809 /nfs/dbraw/zinc/69/78/09/574697809.db2.gz ZXVDGBZMTPTCOY-UHFFFAOYSA-N 0 3 317.392 3.174 20 30 DGEDHN CC(C)C[N@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735827149 574717008 /nfs/dbraw/zinc/71/70/08/574717008.db2.gz GYHSQBWQYAAEMW-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN CC(C)C[N@@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735827149 574717011 /nfs/dbraw/zinc/71/70/11/574717011.db2.gz GYHSQBWQYAAEMW-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN CC(C)C[N@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735827149 574717012 /nfs/dbraw/zinc/71/70/12/574717012.db2.gz GYHSQBWQYAAEMW-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN CC(C)C[N@@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735827149 574717015 /nfs/dbraw/zinc/71/70/15/574717015.db2.gz GYHSQBWQYAAEMW-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C#CCN(C(=O)NCCN1CCCC[C@@H]1CC)C1CCCCC1 ZINC000737068102 574821596 /nfs/dbraw/zinc/82/15/96/574821596.db2.gz SWNZDFZSHDGDFR-KRWDZBQOSA-N 0 3 319.493 3.228 20 30 DGEDHN C#CCSCCNCc1ccccc1OCc1ccncc1 ZINC000740015004 574918870 /nfs/dbraw/zinc/91/88/70/574918870.db2.gz QVLZLBSQEPYSGG-UHFFFAOYSA-N 0 3 312.438 3.117 20 30 DGEDHN C=C(C)CNC(=S)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000740772186 574941897 /nfs/dbraw/zinc/94/18/97/574941897.db2.gz SJBLFGLCRHNHBW-INIZCTEOSA-N 0 3 317.502 3.033 20 30 DGEDHN N#Cc1cccc(CNC[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000741257834 574954559 /nfs/dbraw/zinc/95/45/59/574954559.db2.gz ZQOUXSDNOKWMIC-OAHLLOKOSA-N 0 3 304.752 3.174 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2cc(C)ccc2C)[C@H](C)C1 ZINC000741454164 574958383 /nfs/dbraw/zinc/95/83/83/574958383.db2.gz XVKSMLCUGXHNKT-CQSZACIVSA-N 0 3 318.490 3.308 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2ccc(C)cc2C)[C@@H](C)C1 ZINC000741453038 574958409 /nfs/dbraw/zinc/95/84/09/574958409.db2.gz KOLNJHRIFASELH-AWEZNQCLSA-N 0 3 318.490 3.308 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000742179782 574984052 /nfs/dbraw/zinc/98/40/52/574984052.db2.gz LKBXEANVLSWBTO-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN CCN(CCNCc1ccc(OC)c(C#N)c1)c1cccc(C)c1 ZINC000742366065 574992653 /nfs/dbraw/zinc/99/26/53/574992653.db2.gz FRANULXVIBQXHB-UHFFFAOYSA-N 0 3 323.440 3.491 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2ccccc2SCC)CC1 ZINC000743493460 575054399 /nfs/dbraw/zinc/05/43/99/575054399.db2.gz UPTOVVWFCJSVOQ-UHFFFAOYSA-N 0 3 316.470 3.016 20 30 DGEDHN C#CCCCN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000743486094 575054497 /nfs/dbraw/zinc/05/44/97/575054497.db2.gz YFRXELRCFWWOJB-LJQANCHMSA-N 0 3 306.409 3.047 20 30 DGEDHN CCN(Cc1ccc(OCC#N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743864871 575066891 /nfs/dbraw/zinc/06/68/91/575066891.db2.gz QZHLLRIJVUMHTB-HXUWFJFHSA-N 0 3 324.424 3.453 20 30 DGEDHN N#CC(C(=O)CCCn1cccn1)c1ccc2ccccc2n1 ZINC000729890630 575265539 /nfs/dbraw/zinc/26/55/39/575265539.db2.gz MGYUKAYDHMAYFV-OAHLLOKOSA-N 0 3 304.353 3.088 20 30 DGEDHN Cc1cccc(C2(O)CCN(CCCSCC#N)CC2)c1C ZINC000745947112 575275748 /nfs/dbraw/zinc/27/57/48/575275748.db2.gz TZKZHHOWIMPLSB-UHFFFAOYSA-N 0 3 318.486 3.234 20 30 DGEDHN CC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744421920 575340761 /nfs/dbraw/zinc/34/07/61/575340761.db2.gz VCMSNMZBABXEFT-LBPRGKRZSA-N 0 3 313.426 3.204 20 30 DGEDHN CC(=NN=C1CCN(Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000745202075 575384485 /nfs/dbraw/zinc/38/44/85/575384485.db2.gz QUGZLWXYZDCPSB-HNNXBMFYSA-N 0 3 321.428 3.184 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](CO)c2sccc2C)cc1 ZINC000749294422 575643352 /nfs/dbraw/zinc/64/33/52/575643352.db2.gz GWTHUJWFASDPKH-QGZVFWFLSA-N 0 3 315.438 3.282 20 30 DGEDHN C#CCCN1CCC(NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC000750330253 575718824 /nfs/dbraw/zinc/71/88/24/575718824.db2.gz HBTAXLUVEWAVMY-QGZVFWFLSA-N 0 3 312.457 3.174 20 30 DGEDHN N#Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000750398365 575722702 /nfs/dbraw/zinc/72/27/02/575722702.db2.gz UHEXDXSDFNQODJ-AWEZNQCLSA-N 0 3 301.305 3.118 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2occc2[nH]1)C(C)C ZINC000750877569 575757116 /nfs/dbraw/zinc/75/71/16/575757116.db2.gz CUMVAUXMLFFSAJ-INIZCTEOSA-N 0 3 315.417 3.189 20 30 DGEDHN C#CCN(C[C@H](O)c1ccccc1Br)C1CCCC1 ZINC000752004230 575817631 /nfs/dbraw/zinc/81/76/31/575817631.db2.gz WWUROQVRLJLXGP-INIZCTEOSA-N 0 3 322.246 3.360 20 30 DGEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000752318510 575832179 /nfs/dbraw/zinc/83/21/79/575832179.db2.gz MUVWTMRJLCUYOR-FRRDWIJNSA-N 0 3 313.426 3.203 20 30 DGEDHN C#Cc1cccc(NC(=S)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000726475831 576027625 /nfs/dbraw/zinc/02/76/25/576027625.db2.gz RUGSGEWYEWECTB-CABCVRRESA-N 0 3 315.486 3.075 20 30 DGEDHN CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCC1 ZINC000738315082 576048491 /nfs/dbraw/zinc/04/84/91/576048491.db2.gz SZRWILGXOLWKET-HNNXBMFYSA-N 0 3 320.396 3.098 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCCn2cnc3ccccc32)cc1 ZINC000728711906 576197379 /nfs/dbraw/zinc/19/73/79/576197379.db2.gz OGLFPPJGKHJICO-OAHLLOKOSA-N 0 3 320.396 3.117 20 30 DGEDHN C#CCN(C(=O)N[C@H]1CCCC[C@H]1CCC)C1CCN(C)CC1 ZINC000916615555 620639538 /nfs/dbraw/zinc/63/95/38/620639538.db2.gz YWXVRCLXGVWTTF-AEFFLSMTSA-N 0 3 319.493 3.084 20 30 DGEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1(C)C ZINC000916887732 620649273 /nfs/dbraw/zinc/64/92/73/620649273.db2.gz YDCLNSHMYBJBMJ-BBWFWOEESA-N 0 3 324.424 3.250 20 30 DGEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096932 620656902 /nfs/dbraw/zinc/65/69/02/620656902.db2.gz KFGAXJUPPCQJDC-CYBMUJFWSA-N 0 3 313.426 3.345 20 30 DGEDHN CC(C)[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917102100 620656973 /nfs/dbraw/zinc/65/69/73/620656973.db2.gz XMZCDBXVIWBDKM-OLZOCXBDSA-N 0 3 315.442 3.449 20 30 DGEDHN C#CCN(C[C@H](O)c1cccc(F)c1)[C@H]1CCc2ccccc21 ZINC000917119133 620657198 /nfs/dbraw/zinc/65/71/98/620657198.db2.gz UFUZRDZMFUIOBF-PMACEKPBSA-N 0 3 309.384 3.482 20 30 DGEDHN C#Cc1cccnc1NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000853089687 620667145 /nfs/dbraw/zinc/66/71/45/620667145.db2.gz RUYWWHHBVQSRHY-GOSISDBHSA-N 0 3 321.424 3.321 20 30 DGEDHN CC(=NN1CCCC[C@@H]1C)c1cccc(N2CCOCC2)c1 ZINC000853381026 620690725 /nfs/dbraw/zinc/69/07/25/620690725.db2.gz VOLKGKCCFCDSRQ-HNNXBMFYSA-N 0 3 301.434 3.122 20 30 DGEDHN C=CCN(CCc1ccccc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891806430 617904027 /nfs/dbraw/zinc/90/40/27/617904027.db2.gz BHTNTKHYMPKGKZ-ROUUACIJSA-N 0 3 319.420 3.351 20 30 DGEDHN CC[C@H](N[C@H](C)CC(C)(C)C#N)C(=O)NCc1cccs1 ZINC000926637773 618076472 /nfs/dbraw/zinc/07/64/72/618076472.db2.gz NWTORVIAROEERO-OCCSQVGLSA-N 0 3 307.463 3.061 20 30 DGEDHN N#CC(C(=O)CCF)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892495837 618081920 /nfs/dbraw/zinc/08/19/20/618081920.db2.gz GYCOHJZOTHVCMD-QMMMGPOBSA-N 0 3 303.120 3.000 20 30 DGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CC2)cc1 ZINC000892501598 618084320 /nfs/dbraw/zinc/08/43/20/618084320.db2.gz PFSFCTAJAGOKPA-WBMJQRKESA-N 0 3 314.385 3.026 20 30 DGEDHN CC[C@@H](CC#N)NCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894468787 618343769 /nfs/dbraw/zinc/34/37/69/618343769.db2.gz DANPVAIGRCQOOD-PNRVRQOCSA-N 0 3 321.465 3.446 20 30 DGEDHN C=CC(C)(C)CNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894715182 618430811 /nfs/dbraw/zinc/43/08/11/618430811.db2.gz RSYWCFBHGKLHSW-UHFFFAOYSA-N 0 3 306.410 3.125 20 30 DGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C#CC(C)(C)C ZINC000854514732 620811253 /nfs/dbraw/zinc/81/12/53/620811253.db2.gz JHQNSCYLEZEIDT-SJLPKXTDSA-N 0 3 310.441 3.179 20 30 DGEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C2CC2)n1 ZINC000894964332 618504103 /nfs/dbraw/zinc/50/41/03/618504103.db2.gz ONEVITLEAPNCAJ-GOSISDBHSA-N 0 3 306.413 3.336 20 30 DGEDHN CC(C)(N[C@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc(C#N)c1 ZINC000895330653 618597418 /nfs/dbraw/zinc/59/74/18/618597418.db2.gz VIMZZXOVBPXLQJ-HOTGVXAUSA-N 0 3 318.392 3.017 20 30 DGEDHN C#CCCN(CCOC)Cc1cc2ccnc(Cl)c2s1 ZINC000895350493 618600466 /nfs/dbraw/zinc/60/04/66/618600466.db2.gz NEYUSHCHOCMWAG-UHFFFAOYSA-N 0 3 308.834 3.421 20 30 DGEDHN CC[C@@H](CC#N)NC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000893605124 618614539 /nfs/dbraw/zinc/61/45/39/618614539.db2.gz COJJQTZWCNBTCZ-AWEZNQCLSA-N 0 3 321.465 3.448 20 30 DGEDHN CN(Cc1ccccc1)C[C@H](OC(=O)CC(C)(C)C#N)C1CC1 ZINC000893695727 618641142 /nfs/dbraw/zinc/64/11/42/618641142.db2.gz ACXWHIJPJKEPQV-KRWDZBQOSA-N 0 3 314.429 3.380 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1csc(C#N)c1 ZINC000893960822 618680382 /nfs/dbraw/zinc/68/03/82/618680382.db2.gz YCHMZQFQFHJOSM-INIZCTEOSA-N 0 3 300.427 3.309 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1csc(C#N)c1 ZINC000893960823 618680457 /nfs/dbraw/zinc/68/04/57/618680457.db2.gz YCHMZQFQFHJOSM-MRXNPFEDSA-N 0 3 300.427 3.309 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000924926654 618740355 /nfs/dbraw/zinc/74/03/55/618740355.db2.gz MAECHYRQTQIHEG-IUODEOHRSA-N 0 3 314.351 3.354 20 30 DGEDHN Cc1noc2ncc(CN(C)CCc3cccc(C#N)c3)cc12 ZINC000895452270 618786757 /nfs/dbraw/zinc/78/67/57/618786757.db2.gz ROMIUDIUBHJOAC-UHFFFAOYSA-N 0 3 306.369 3.077 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(NCc2csc(C#N)c2)C1 ZINC000895484835 618791798 /nfs/dbraw/zinc/79/17/98/618791798.db2.gz ZSEWJBJIBMAPFE-MRXNPFEDSA-N 0 3 321.446 3.109 20 30 DGEDHN C=CCc1cc(CN2C[C@H](OC)CC[C@H]2C)cc(OC)c1O ZINC000895926645 618850156 /nfs/dbraw/zinc/85/01/56/618850156.db2.gz IZTCDIUGJKIVHM-CZUORRHYSA-N 0 3 305.418 3.129 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cscc2C(F)F)CC1 ZINC000896208694 618886533 /nfs/dbraw/zinc/88/65/33/618886533.db2.gz NFGPLOWJEJVNFY-UHFFFAOYSA-N 0 3 314.401 3.456 20 30 DGEDHN C=CCOc1ccc(CN[C@@]23CCC[C@]2(OC)OCC3)cc1 ZINC000896414947 618909497 /nfs/dbraw/zinc/90/94/97/618909497.db2.gz FIQMQNVSJWGYLR-MSOLQXFVSA-N 0 3 303.402 3.027 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(c3ccn(C)n3)CC2)cc1 ZINC000896494596 618920132 /nfs/dbraw/zinc/92/01/32/618920132.db2.gz CVNYHEKHYCAUMC-UHFFFAOYSA-N 0 3 323.440 3.202 20 30 DGEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2cncc([O-])c2)CC1 ZINC000897315533 619054231 /nfs/dbraw/zinc/05/42/31/619054231.db2.gz MYXKZGNEBLOUTA-UHFFFAOYSA-N 0 3 307.397 3.281 20 30 DGEDHN COC(=O)c1cc(CN2CCC(c3ccc(C#N)cc3)CC2)c[nH]1 ZINC000897588889 619163597 /nfs/dbraw/zinc/16/35/97/619163597.db2.gz AMCXLNMNJPGUOK-UHFFFAOYSA-N 0 3 323.396 3.053 20 30 DGEDHN CCOC(=O)C(C)(C)CCC[C@@H](C)NCc1nc(C#N)cs1 ZINC000897629083 619169229 /nfs/dbraw/zinc/16/92/29/619169229.db2.gz FWMVGRLRFXOQEG-GFCCVEGCSA-N 0 3 323.462 3.252 20 30 DGEDHN CCCCCCC[C@H](C)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898158504 619219006 /nfs/dbraw/zinc/21/90/06/619219006.db2.gz XQZBGHVXBFCCOF-LSDHHAIUSA-N 0 3 306.454 3.100 20 30 DGEDHN C[C@@H](NCCCN1CCc2ccccc21)c1cc(C#N)ccn1 ZINC000902731583 619667226 /nfs/dbraw/zinc/66/72/26/619667226.db2.gz LVNHSQITMMLKLC-OAHLLOKOSA-N 0 3 306.413 3.057 20 30 DGEDHN C[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cc(C#N)ccn1 ZINC000902731953 619667427 /nfs/dbraw/zinc/66/74/27/619667427.db2.gz TVYYHMWARPMHDG-UZLBHIALSA-N 0 3 320.440 3.441 20 30 DGEDHN C[C@@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1cc(C#N)ccn1 ZINC000902757801 619671049 /nfs/dbraw/zinc/67/10/49/619671049.db2.gz YSWDNAMQYAXHQY-ACJLOTCBSA-N 0 3 312.392 3.046 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)NCc1ccccc1)c1cccc(C#N)c1 ZINC000902771584 619673641 /nfs/dbraw/zinc/67/36/41/619673641.db2.gz IGKUHDAMOWFAJF-DNVCBOLYSA-N 0 3 321.424 3.304 20 30 DGEDHN COc1ccccc1OCCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902791660 619676984 /nfs/dbraw/zinc/67/69/84/619676984.db2.gz WWKWMXADBSNNPI-AWEZNQCLSA-N 0 3 311.385 3.082 20 30 DGEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902848484 619683658 /nfs/dbraw/zinc/68/36/58/619683658.db2.gz RFLKTFGYYDWPIC-SNUQEOBHSA-N 0 3 313.376 3.255 20 30 DGEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902889262 619688804 /nfs/dbraw/zinc/68/88/04/619688804.db2.gz FYNCHYUVKWRLCA-UCLAIMLFSA-N 0 3 306.413 3.049 20 30 DGEDHN C[C@@H](O)[C@](C)(CN[C@@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000902969706 619696236 /nfs/dbraw/zinc/69/62/36/619696236.db2.gz GBMAPLFBWLELAV-YRNRMSPPSA-N 0 3 323.440 3.234 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1cc(C#N)ccn1 ZINC000902954118 619697034 /nfs/dbraw/zinc/69/70/34/619697034.db2.gz QOWGXZKQCKDGIM-SJKOYZFVSA-N 0 3 315.804 3.165 20 30 DGEDHN CC[C@@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1cccc(C#N)c1 ZINC000903047554 619710381 /nfs/dbraw/zinc/71/03/81/619710381.db2.gz PRSLYNVCAGCBST-QZTJIDSGSA-N 0 3 319.408 3.187 20 30 DGEDHN CC(C)[C@@H](CN[C@H](C)c1cc(C#N)ccn1)C(=O)OC(C)(C)C ZINC000903045862 619710395 /nfs/dbraw/zinc/71/03/95/619710395.db2.gz XDOYUQAMHZOVGR-UKRRQHHQSA-N 0 3 317.433 3.218 20 30 DGEDHN C[C@H](NC[C@]1(C)OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000903087777 619713667 /nfs/dbraw/zinc/71/36/67/619713667.db2.gz ISMJZHBGDOSAFQ-LIRRHRJNSA-N 0 3 307.397 3.092 20 30 DGEDHN CC[C@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000903088546 619713707 /nfs/dbraw/zinc/71/37/07/619713707.db2.gz KZFRQGYMCPGOAD-NWDGAFQWSA-N 0 3 322.277 3.157 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(Br)cn1 ZINC000903325869 619761179 /nfs/dbraw/zinc/76/11/79/619761179.db2.gz WXTMMYIMZACRDI-AAEUAGOBSA-N 0 3 310.239 3.464 20 30 DGEDHN C=CCC[C@@H](NC[C@@]1(c2cnn(C)c2)CCCO1)c1ccco1 ZINC000903360876 619765523 /nfs/dbraw/zinc/76/55/23/619765523.db2.gz OLICMWGYQLAVSG-SJLPKXTDSA-N 0 3 315.417 3.316 20 30 DGEDHN CC1/C(=C/c2ccc(OCC(F)(F)F)cc2)C(=O)c2ncnn21 ZINC000905079881 619968063 /nfs/dbraw/zinc/96/80/63/619968063.db2.gz GNJWIFFFSLNGIZ-DKBJHAQFSA-N 0 3 323.274 3.060 20 30 DGEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(C)c1OC(F)F ZINC000905080082 619968092 /nfs/dbraw/zinc/96/80/92/619968092.db2.gz HZXRIDHEGYTLLZ-PQTFEYQYSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C/c2cccc(OCC(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083130 619968439 /nfs/dbraw/zinc/96/84/39/619968439.db2.gz ZESHXAGHQYSMCS-TXEUWIOXSA-N 0 3 323.274 3.060 20 30 DGEDHN Cc1cc(C(F)(F)F)ccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083076 619968463 /nfs/dbraw/zinc/96/84/63/619968463.db2.gz BGCPAYGEOCCYSL-DAVUEJTQSA-N 0 3 307.275 3.446 20 30 DGEDHN COCc1ccccc1/C=C(C)/C=C1/C(=O)c2ncnn2C1C ZINC000905085106 619968794 /nfs/dbraw/zinc/96/87/94/619968794.db2.gz MDUAUGVDTMBIKA-VTNJXYBCSA-N 0 3 309.369 3.212 20 30 DGEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(C(F)(F)F)c1 ZINC000905086683 619969045 /nfs/dbraw/zinc/96/90/45/619969045.db2.gz SMFFCILDAGLSBK-QOMRTYFESA-N 0 3 323.274 3.146 20 30 DGEDHN C=CC[C@H](NC[C@](C)(O)C(F)(F)C(F)(F)F)c1ccncc1 ZINC000905121084 619972995 /nfs/dbraw/zinc/97/29/95/619972995.db2.gz KHQDQLIBAQJKBN-RYUDHWBXSA-N 0 3 324.293 3.237 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 ZINC000906085439 620055763 /nfs/dbraw/zinc/05/57/63/620055763.db2.gz QKJQBYPCXHBGDM-KJXMEXGPSA-N 0 3 311.429 3.407 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906450417 620099049 /nfs/dbraw/zinc/09/90/49/620099049.db2.gz LKWCYJSGEJUCLW-LADRWXRNSA-N 0 3 317.477 3.039 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000912341323 620380489 /nfs/dbraw/zinc/38/04/89/620380489.db2.gz DFXMPJJGHFVBPA-WCQYABFASA-N 0 3 312.360 3.149 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000912389655 620384006 /nfs/dbraw/zinc/38/40/06/620384006.db2.gz ZNXVMYDQKQPHDX-GOEBONIOSA-N 0 3 304.434 3.335 20 30 DGEDHN C#CCN(C(=O)N[C@@H](C)CCCCCC)C1CCN(C)CC1 ZINC000913850807 620486597 /nfs/dbraw/zinc/48/65/97/620486597.db2.gz RTNUTHNQRJCEOQ-INIZCTEOSA-N 0 3 307.482 3.084 20 30 DGEDHN Cn1c2ccccc2nc1[N-][NH+]=Cc1ccc(-n2ccnc2)cc1 ZINC000915968426 620609599 /nfs/dbraw/zinc/60/95/99/620609599.db2.gz XIJITRZBRRMQHH-UHFFFAOYSA-N 0 3 316.368 3.205 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(SC)ccc2Cl)CC1 ZINC000855285320 620886183 /nfs/dbraw/zinc/88/61/83/620886183.db2.gz OHVUHQVQEAEVSR-UHFFFAOYSA-N 0 3 322.861 3.346 20 30 DGEDHN C[C@@H]1Cc2cc(CNCc3ccc(OCC#N)cc3)ccc2O1 ZINC000921694160 620935813 /nfs/dbraw/zinc/93/58/13/620935813.db2.gz RCRFOSYZWZTLHM-CQSZACIVSA-N 0 3 308.381 3.202 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CCCc2nc(C)ncc21 ZINC000921749832 620944484 /nfs/dbraw/zinc/94/44/84/620944484.db2.gz QSFODQPRBBDFTJ-SFHVURJKSA-N 0 3 306.413 3.441 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H](CNCc1csc(C#N)c1)C1CC1 ZINC000921944885 620971671 /nfs/dbraw/zinc/97/16/71/620971671.db2.gz KJSPGHDZNDUZDV-CQSZACIVSA-N 0 3 321.446 3.013 20 30 DGEDHN C=CCCC(C)(C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000856373030 620989973 /nfs/dbraw/zinc/98/99/73/620989973.db2.gz WODASBIZSZFDNR-LSDHHAIUSA-N 0 3 301.386 3.152 20 30 DGEDHN COc1ccc([C@@H](CN(C)C)NCc2csc(C#N)c2)cc1 ZINC000922113076 620990143 /nfs/dbraw/zinc/99/01/43/620990143.db2.gz HPJRAGMYDFVBQG-QGZVFWFLSA-N 0 3 315.442 3.021 20 30 DGEDHN N#Cc1cc(CN[C@@H]2CCN(c3ccccc3F)C2)cs1 ZINC000922143237 620995147 /nfs/dbraw/zinc/99/51/47/620995147.db2.gz IHYATDYBWZCEGZ-CYBMUJFWSA-N 0 3 301.390 3.127 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CS1 ZINC000922182040 621002191 /nfs/dbraw/zinc/00/21/91/621002191.db2.gz DVTKLYUCPGYVOB-BXKDBHETSA-N 0 3 311.248 3.304 20 30 DGEDHN C#CC[C@H](CCOC)NCc1ccc(CSC(F)F)o1 ZINC000858334346 621176941 /nfs/dbraw/zinc/17/69/41/621176941.db2.gz UGCBUWUDQMKICA-LLVKDONJSA-N 0 3 303.374 3.253 20 30 DGEDHN C#CC[C@H](COC)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000858335619 621177477 /nfs/dbraw/zinc/17/74/77/621177477.db2.gz AIKRKADITOGTBN-GDBMZVCRSA-N 0 3 305.418 3.000 20 30 DGEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccccc2F)s1 ZINC000858334933 621177556 /nfs/dbraw/zinc/17/75/56/621177556.db2.gz UGANHLFGMOXVTL-LBPRGKRZSA-N 0 3 304.390 3.077 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000858335622 621177637 /nfs/dbraw/zinc/17/76/37/621177637.db2.gz AIKRKADITOGTBN-ZBFHGGJFSA-N 0 3 305.418 3.000 20 30 DGEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000116593373 621255509 /nfs/dbraw/zinc/25/55/09/621255509.db2.gz IVNMOYNWKSDEEI-PBHICJAKSA-N 0 3 312.413 3.256 20 30 DGEDHN Cc1ccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1C#N ZINC000859191849 621258654 /nfs/dbraw/zinc/25/86/54/621258654.db2.gz VBWCDSHLPIVIIU-AWEZNQCLSA-N 0 3 317.433 3.212 20 30 DGEDHN Cc1ccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)cc1C#N ZINC000859191850 621258904 /nfs/dbraw/zinc/25/89/04/621258904.db2.gz VBWCDSHLPIVIIU-CQSZACIVSA-N 0 3 317.433 3.212 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cc(C)cc1Cl ZINC000838624411 621267358 /nfs/dbraw/zinc/26/73/58/621267358.db2.gz XQIAUHKBOVVOMA-UHFFFAOYSA-N 0 3 307.825 3.033 20 30 DGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000860467023 621407922 /nfs/dbraw/zinc/40/79/22/621407922.db2.gz AMOJFWAITWZMFZ-ZIAGYGMSSA-N 0 3 322.792 3.193 20 30 DGEDHN C[C@H]1CC(N=Nc2cccc(Br)c2)CN1C1CC1 ZINC000753954284 621473831 /nfs/dbraw/zinc/47/38/31/621473831.db2.gz CQMBQTGVAXCJCN-JTQLQIEISA-N 0 3 308.223 3.474 20 30 DGEDHN C#CCCN(CCOC)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000862417712 621587153 /nfs/dbraw/zinc/58/71/53/621587153.db2.gz GUKQKVXCIHLICN-UHFFFAOYSA-N 0 3 315.335 3.186 20 30 DGEDHN C#CC[C@H]1CCN(Cc2ccc(OC)cc2Br)C1 ZINC000862447801 621591682 /nfs/dbraw/zinc/59/16/82/621591682.db2.gz RJGDQDJUWVKABE-LBPRGKRZSA-N 0 3 308.219 3.303 20 30 DGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ncnc2c3ccccc3oc21 ZINC000755892300 621600509 /nfs/dbraw/zinc/60/05/09/621600509.db2.gz NGCAEURFDDYXQN-LLVKDONJSA-N 0 3 321.384 3.258 20 30 DGEDHN C#CC[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000862578980 621603860 /nfs/dbraw/zinc/60/38/60/621603860.db2.gz NDLYZXIJSNJVEB-KRWDZBQOSA-N 0 3 310.441 3.158 20 30 DGEDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1C#N ZINC000756763376 621662645 /nfs/dbraw/zinc/66/26/45/621662645.db2.gz ZRUITHVNXPBFOZ-LLVKDONJSA-N 0 3 300.333 3.262 20 30 DGEDHN COc1ccc(C(C)=NNC2CC2)cc1CN1CCCCC1 ZINC000758134144 621760510 /nfs/dbraw/zinc/76/05/10/621760510.db2.gz XVLJQDGRIIIIRY-UHFFFAOYSA-N 0 3 301.434 3.157 20 30 DGEDHN N#CC(C(=O)c1ccc(SC(F)F)cc1)c1ccncn1 ZINC000760360476 621935409 /nfs/dbraw/zinc/93/54/09/621935409.db2.gz ZJHYHMUXZQXTJY-LLVKDONJSA-N 0 3 305.309 3.281 20 30 DGEDHN C=CCN1CCC(Nc2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865522031 621942302 /nfs/dbraw/zinc/94/23/02/621942302.db2.gz LOKNIKAXODWILM-UHFFFAOYSA-N 0 3 310.323 3.034 20 30 DGEDHN Cn1ncc2cc(CN[C@@H]3CCCc4cc(C#N)ccc43)cnc21 ZINC000865606054 621960747 /nfs/dbraw/zinc/96/07/47/621960747.db2.gz NRDUQLYCDKTMLZ-GOSISDBHSA-N 0 3 317.396 3.007 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC(CC(C)C)CC2)CC1 ZINC000760778392 621965138 /nfs/dbraw/zinc/96/51/38/621965138.db2.gz VBIHIHWXWVFGRA-UHFFFAOYSA-N 0 3 307.482 3.105 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1cccs1 ZINC000121607156 622166381 /nfs/dbraw/zinc/16/63/81/622166381.db2.gz AYLKAMFMRNGDEE-QWHCGFSZSA-N 0 3 306.431 3.257 20 30 DGEDHN C=CCOc1cccnc1C(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867986861 622200589 /nfs/dbraw/zinc/20/05/89/622200589.db2.gz FUDPKHXFHKNPPO-KRWDZBQOSA-N 0 3 323.396 3.085 20 30 DGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1CCCCO1 ZINC000121978420 622207416 /nfs/dbraw/zinc/20/74/16/622207416.db2.gz QXOHCSHKQJRHCG-NVXWUHKLSA-N 0 3 322.364 3.056 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765795184 622287864 /nfs/dbraw/zinc/28/78/64/622287864.db2.gz GFNVOYYOVFZKSF-IRXDYDNUSA-N 0 3 323.481 3.091 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H](CO)c2ccccc2C)cc1 ZINC000766399130 622326692 /nfs/dbraw/zinc/32/66/92/622326692.db2.gz IZJRJKALNJOASN-JXFKEZNVSA-N 0 3 309.409 3.391 20 30 DGEDHN CC(C)CN(Cn1cc2c(c(C#N)c1=O)CCC2)C1CCCC1 ZINC000766611230 622342317 /nfs/dbraw/zinc/34/23/17/622342317.db2.gz ASOMVEQTRQXFDM-UHFFFAOYSA-N 0 3 313.445 3.067 20 30 DGEDHN Cc1cc(CNCc2ccc(N3CCOC3=O)cc2)ccc1C#N ZINC000767684253 622414997 /nfs/dbraw/zinc/41/49/97/622414997.db2.gz NIOXVJNELJUODB-UHFFFAOYSA-N 0 3 321.380 3.113 20 30 DGEDHN CSC[C@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000767776068 622421497 /nfs/dbraw/zinc/42/14/97/622421497.db2.gz QIOXDLCAHVHYGF-MRXNPFEDSA-N 0 3 312.442 3.207 20 30 DGEDHN Cc1oc2ccccc2c1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000767955161 622430039 /nfs/dbraw/zinc/43/00/39/622430039.db2.gz DDWIGKQPHYNKJU-INIZCTEOSA-N 0 3 324.380 3.051 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769281706 622513457 /nfs/dbraw/zinc/51/34/57/622513457.db2.gz KYBZZECIRIVQQT-CABCVRRESA-N 0 3 304.365 3.103 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc3c2OC(C)(C)C=C3)CC1 ZINC000871115267 622549967 /nfs/dbraw/zinc/54/99/67/622549967.db2.gz GPCUUDGSZWRGID-UHFFFAOYSA-N 0 3 324.424 3.155 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000770049827 622595144 /nfs/dbraw/zinc/59/51/44/622595144.db2.gz PVLVVYGWUOKHCS-APWZRJJASA-N 0 3 300.446 3.378 20 30 DGEDHN C=CCCC(C)(C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000771080598 622711698 /nfs/dbraw/zinc/71/16/98/622711698.db2.gz FKLLSBDGPLGUOC-HNNXBMFYSA-N 0 3 319.376 3.467 20 30 DGEDHN C#Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000771504917 622769867 /nfs/dbraw/zinc/76/98/67/622769867.db2.gz NICFNEYBGKLMMD-DNVCBOLYSA-N 0 3 321.424 3.481 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872281510 622880155 /nfs/dbraw/zinc/88/01/55/622880155.db2.gz TVIJGEYMWCQTLI-SFHVURJKSA-N 0 3 314.429 3.490 20 30 DGEDHN N#Cc1ccc(CNC[C@H](O)c2cccc(Cl)c2)c(F)c1 ZINC000772920113 622954025 /nfs/dbraw/zinc/95/40/25/622954025.db2.gz XEBIWNGHOIKRLL-INIZCTEOSA-N 0 3 304.752 3.174 20 30 DGEDHN C#CCOc1ccccc1CN[C@H](COC)Cc1ccccc1 ZINC000772987505 622961337 /nfs/dbraw/zinc/96/13/37/622961337.db2.gz JDJWWMOWCVCUOJ-IBGZPJMESA-N 0 3 309.409 3.046 20 30 DGEDHN CC(C)(C)[C@@H](C#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805914698 625609901 /nfs/dbraw/zinc/60/99/01/625609901.db2.gz QRLIMACFIDNDJA-QGZVFWFLSA-N 0 3 314.429 3.380 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H](CO)c2sccc2C)cc1 ZINC000773046390 622972915 /nfs/dbraw/zinc/97/29/15/622972915.db2.gz KSSJEQYBZBSPDF-YOEHRIQHSA-N 0 3 315.438 3.453 20 30 DGEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000773077583 622978506 /nfs/dbraw/zinc/97/85/06/622978506.db2.gz SCTNHCFLPDNJJH-CYBMUJFWSA-N 0 3 308.381 3.448 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H]1COC2(CCCC2)O1 ZINC000773412771 623024203 /nfs/dbraw/zinc/02/42/03/623024203.db2.gz CJCHEZSWLONCKF-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000773544797 623045044 /nfs/dbraw/zinc/04/50/44/623045044.db2.gz STQGBVKIOCLPGA-QGZVFWFLSA-N 0 3 310.401 3.266 20 30 DGEDHN C#C[C@H]1CC[C@H](NCc2c(F)cncc2Br)CC1 ZINC000873198215 623072275 /nfs/dbraw/zinc/07/22/75/623072275.db2.gz YVQJWXGFFDWDBB-XYPYZODXSA-N 0 3 311.198 3.265 20 30 DGEDHN C#C[C@H]1CC[C@H](NCc2nccc(C)c2Br)CC1 ZINC000873197853 623072503 /nfs/dbraw/zinc/07/25/03/623072503.db2.gz GEQPZPAAFVWZPE-JOCQHMNTSA-N 0 3 307.235 3.434 20 30 DGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2CN1)c1ccc(C#N)cc1F ZINC000873294882 623107160 /nfs/dbraw/zinc/10/71/60/623107160.db2.gz VKYMEUNUEOKSPL-DYVFJYSZSA-N 0 3 309.388 3.062 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCOCC[C@@H]1C ZINC000774658939 623172728 /nfs/dbraw/zinc/17/27/28/623172728.db2.gz DITVIJBNYZNJLR-AWEZNQCLSA-N 0 3 317.458 3.383 20 30 DGEDHN C#C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC000775342461 623256329 /nfs/dbraw/zinc/25/63/29/623256329.db2.gz RQDPPJQXEDMXTQ-AZUAARDMSA-N 0 3 307.393 3.330 20 30 DGEDHN CC[C@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000775389525 623264944 /nfs/dbraw/zinc/26/49/44/623264944.db2.gz GRIZNUWFUPQJBW-FQEVSTJZSA-N 0 3 321.424 3.089 20 30 DGEDHN CC[C@](C)(NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000775389446 623265066 /nfs/dbraw/zinc/26/50/66/623265066.db2.gz FETFQJVZYDQZDQ-IBGZPJMESA-N 0 3 307.397 3.412 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775399435 623268547 /nfs/dbraw/zinc/26/85/47/623268547.db2.gz HFZWWNDSJONVRX-MSOLQXFVSA-N 0 3 301.336 3.352 20 30 DGEDHN C=CC[C@H](NCc1cnc2c(c1)c(C)nn2C)c1ccncc1 ZINC000776186554 623392443 /nfs/dbraw/zinc/39/24/43/623392443.db2.gz VSYDGTHMILQOBK-KRWDZBQOSA-N 0 3 307.401 3.079 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](CCO)CC(C)C ZINC000778173309 623620334 /nfs/dbraw/zinc/62/03/34/623620334.db2.gz SDIDGJKQFBYQHD-HNNXBMFYSA-N 0 3 323.864 3.486 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCC[C@H]1O ZINC000778246515 623632508 /nfs/dbraw/zinc/63/25/08/623632508.db2.gz QKQFRVMLLAFOOC-XJKSGUPXSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000876587602 623652325 /nfs/dbraw/zinc/65/23/25/623652325.db2.gz SOENRGXDUBHJNK-ZWNOBZJWSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000876587597 623652465 /nfs/dbraw/zinc/65/24/65/623652465.db2.gz SOENRGXDUBHJNK-GXFFZTMASA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000876590655 623653097 /nfs/dbraw/zinc/65/30/97/623653097.db2.gz ZXWRXMUKHWIZJS-JSGCOSHPSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000876597755 623655655 /nfs/dbraw/zinc/65/56/55/623655655.db2.gz SCPLMWBDAJKZQD-LLVKDONJSA-N 0 3 322.714 3.036 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC(C)C)c1cccs1 ZINC000876611368 623659422 /nfs/dbraw/zinc/65/94/22/623659422.db2.gz XYBODEMRMXRLNN-NWDGAFQWSA-N 0 3 300.855 3.421 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000876637387 623666081 /nfs/dbraw/zinc/66/60/81/623666081.db2.gz MYQDYABRSDHTNP-CYBMUJFWSA-N 0 3 322.811 3.454 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000876647519 623669480 /nfs/dbraw/zinc/66/94/80/623669480.db2.gz LIOQUMCQSOLXHP-CABCVRRESA-N 0 3 310.800 3.253 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000876645738 623669512 /nfs/dbraw/zinc/66/95/12/623669512.db2.gz QPZIGKRQOZZIJH-HZPDHXFCSA-N 0 3 306.837 3.253 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(SC(F)F)c1 ZINC000876645683 623669604 /nfs/dbraw/zinc/66/96/04/623669604.db2.gz QBHCMXGOQRPIPX-JTQLQIEISA-N 0 3 306.765 3.410 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000876673466 623677737 /nfs/dbraw/zinc/67/77/37/623677737.db2.gz NKVRNCZVGZCFAQ-LNSITVRQSA-N 0 3 310.800 3.000 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2ccn(CCC)c2c1 ZINC000876674340 623677851 /nfs/dbraw/zinc/67/78/51/623677851.db2.gz IBTRUVGZPXSJOI-CQSZACIVSA-N 0 3 305.809 3.460 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC)CCc1ccccc1 ZINC000876680547 623680054 /nfs/dbraw/zinc/68/00/54/623680054.db2.gz FLTAWNAKNCTBJQ-HZPDHXFCSA-N 0 3 308.853 3.374 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC)c1ccc(F)cc1F ZINC000876697929 623684999 /nfs/dbraw/zinc/68/49/99/623684999.db2.gz KHDQDLAOUHARGI-ZIAGYGMSSA-N 0 3 316.779 3.392 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC000876698337 623685652 /nfs/dbraw/zinc/68/56/52/623685652.db2.gz PDIHMLMFKFZDFQ-LSDHHAIUSA-N 0 3 324.852 3.369 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000876770943 623702256 /nfs/dbraw/zinc/70/22/56/623702256.db2.gz KWKLUCACQNWJKJ-INIZCTEOSA-N 0 3 321.852 3.331 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC000876771384 623702979 /nfs/dbraw/zinc/70/29/79/623702979.db2.gz QVCPBVUQQIYCIB-WDEREUQCSA-N 0 3 315.870 3.003 20 30 DGEDHN CCN1CCN(c2ccc(NC[C@H](C)CCC#N)cc2)CC1 ZINC000876820903 623717966 /nfs/dbraw/zinc/71/79/66/623717966.db2.gz VLIPUILOUYFHIM-MRXNPFEDSA-N 0 3 300.450 3.180 20 30 DGEDHN CC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2)c2ccccc2C1 ZINC000779021449 623721404 /nfs/dbraw/zinc/72/14/04/623721404.db2.gz XMGGQNQVACCPHV-HXUWFJFHSA-N 0 3 319.408 3.141 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@H]1C[C@@H](C)O ZINC000779158698 623736687 /nfs/dbraw/zinc/73/66/87/623736687.db2.gz WZFZEYLOAMKNQT-ZIAGYGMSSA-N 0 3 307.821 3.087 20 30 DGEDHN C[C@H](CCc1ccc(O)cc1)NCc1cc(C#N)cnc1Cl ZINC000877018557 623767512 /nfs/dbraw/zinc/76/75/12/623767512.db2.gz XLCWXHWSPMXTBU-GFCCVEGCSA-N 0 3 315.804 3.423 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000877030641 623769959 /nfs/dbraw/zinc/76/99/59/623769959.db2.gz JLDYTXQKKBWZNB-HUUCEWRRSA-N 0 3 306.837 3.251 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000877063471 623780019 /nfs/dbraw/zinc/78/00/19/623780019.db2.gz WDPGLYIVWDRAOG-KGLIPLIRSA-N 0 3 313.228 3.304 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C12CCCC2 ZINC000877070362 623783365 /nfs/dbraw/zinc/78/33/65/623783365.db2.gz NRTOCILYKYIQHK-HUUCEWRRSA-N 0 3 319.836 3.434 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccc(CC)cc2)CC1 ZINC000877081985 623786559 /nfs/dbraw/zinc/78/65/59/623786559.db2.gz VJMYCJQYLOGQRC-QGZVFWFLSA-N 0 3 320.864 3.425 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000877117573 623795036 /nfs/dbraw/zinc/79/50/36/623795036.db2.gz JONXRMWFABBPGU-KFWWJZLASA-N 0 3 317.820 3.044 20 30 DGEDHN CC(C)(C)[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877124340 623797052 /nfs/dbraw/zinc/79/70/52/623797052.db2.gz VJWKQOXAJKYTOT-UONOGXRCSA-N 0 3 307.825 3.290 20 30 DGEDHN CC(C)C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877142433 623804459 /nfs/dbraw/zinc/80/44/59/623804459.db2.gz TVTMYOUYICUDMS-LSDHHAIUSA-N 0 3 307.825 3.290 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(C)(C)C)s1 ZINC000877306454 623847112 /nfs/dbraw/zinc/84/71/12/623847112.db2.gz RFDLVOFXXWFWKZ-NSHDSACASA-N 0 3 300.855 3.132 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCc1cc(C#N)cnc1Cl)C(C)C ZINC000877423875 623876138 /nfs/dbraw/zinc/87/61/38/623876138.db2.gz MXGMXQYFJPVXRB-MRXNPFEDSA-N 0 3 323.824 3.064 20 30 DGEDHN CCN(CC)c1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1 ZINC000780246197 623892720 /nfs/dbraw/zinc/89/27/20/623892720.db2.gz FVORKFRQRPIXCC-INIZCTEOSA-N 0 3 303.450 3.414 20 30 DGEDHN C[C@@H](CCC#N)CN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000877461234 623893514 /nfs/dbraw/zinc/89/35/14/623893514.db2.gz BSMXTURUPOELDH-HRCADAONSA-N 0 3 321.465 3.400 20 30 DGEDHN Cc1n[nH]cc1C1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877507478 623915925 /nfs/dbraw/zinc/91/59/25/623915925.db2.gz GYFLQYFAVBRCFV-UHFFFAOYSA-N 0 3 323.444 3.035 20 30 DGEDHN C#CC[C@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000877650631 623977603 /nfs/dbraw/zinc/97/76/03/623977603.db2.gz NMJHGQHICAOXGK-NSHDSACASA-N 0 3 319.202 3.436 20 30 DGEDHN CC1(C)CCC[C@@](O)(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877668614 623985175 /nfs/dbraw/zinc/98/51/75/623985175.db2.gz LLWCSUZQOIUFCO-KRWDZBQOSA-N 0 3 321.852 3.418 20 30 DGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1[N+](=O)[O-] ZINC000877729855 624006893 /nfs/dbraw/zinc/00/68/93/624006893.db2.gz CTUJDFAFNMDWLR-CQSZACIVSA-N 0 3 317.389 3.092 20 30 DGEDHN CC[C@H](C#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000781207552 624039235 /nfs/dbraw/zinc/03/92/35/624039235.db2.gz BGKOIQVBWSJDRL-MRXNPFEDSA-N 0 3 300.402 3.134 20 30 DGEDHN COc1ccc(CN2CC[C@@H](c3nc(C)cs3)C2)cc1C#N ZINC000877814375 624047902 /nfs/dbraw/zinc/04/79/02/624047902.db2.gz XNZXUBOKQTYTGE-CQSZACIVSA-N 0 3 313.426 3.321 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](C(C)(C)O)C2)cc1Cl ZINC000877835829 624063913 /nfs/dbraw/zinc/06/39/13/624063913.db2.gz XZGOEGSEAKZWPC-AWEZNQCLSA-N 0 3 309.837 3.498 20 30 DGEDHN C[C@@H]1CCCN(CC2(CC#N)CC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000878163069 624195137 /nfs/dbraw/zinc/19/51/37/624195137.db2.gz TZZNSUXVGGOJJQ-HUUCEWRRSA-N 0 3 321.465 3.305 20 30 DGEDHN CCN(CCO)c1ccc(C=NN[C@@H]2CCCC2(C)C)c(C)c1 ZINC000782298992 624235168 /nfs/dbraw/zinc/23/51/68/624235168.db2.gz DUHXGVUEJFMFSS-GOSISDBHSA-N 0 3 317.477 3.316 20 30 DGEDHN C#CCCCCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000878548544 624305371 /nfs/dbraw/zinc/30/53/71/624305371.db2.gz YIQLOVFHDGZJFO-AEFFLSMTSA-N 0 3 321.486 3.252 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](C)c1cc2ccccc2s1 ZINC000783289395 624335334 /nfs/dbraw/zinc/33/53/34/624335334.db2.gz LTNKWZLONUCNQS-GFCCVEGCSA-N 0 3 309.456 3.153 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccsc1 ZINC000783348091 624339094 /nfs/dbraw/zinc/33/90/94/624339094.db2.gz WPXDUBKXSUPSPU-AWEZNQCLSA-N 0 3 306.431 3.086 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCS2)cc1 ZINC000783352836 624339681 /nfs/dbraw/zinc/33/96/81/624339681.db2.gz KEEZXZVYAXRZGP-HUUCEWRRSA-N 0 3 316.426 3.182 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](CC1CCC1)c1ccccc1 ZINC000783531491 624362409 /nfs/dbraw/zinc/36/24/09/624362409.db2.gz IWVKANLWHJYDFU-QGZVFWFLSA-N 0 3 307.459 3.108 20 30 DGEDHN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(CC1(CC#N)CC1)C2 ZINC000879020413 624409991 /nfs/dbraw/zinc/40/99/91/624409991.db2.gz LGRYLSXGAJAIIS-KSSFIOAISA-N 0 3 319.449 3.059 20 30 DGEDHN N#Cc1ccc(C2CCN(C[C@H]3CC3(Cl)Cl)CC2)nc1 ZINC000879026279 624411226 /nfs/dbraw/zinc/41/12/26/624411226.db2.gz FXCBSTMNBAHNQW-CYBMUJFWSA-N 0 3 310.228 3.326 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCCN(CC2(CC#N)CC2)C1 ZINC000879104593 624427571 /nfs/dbraw/zinc/42/75/71/624427571.db2.gz LSPGWPXFWZMACF-HNNXBMFYSA-N 0 3 321.465 3.450 20 30 DGEDHN C#CC[C@@H](NCc1cn(-c2ccncc2)nc1C)c1ccccc1 ZINC000784587224 624552723 /nfs/dbraw/zinc/55/27/23/624552723.db2.gz CXFNSBBHRXMBMK-HXUWFJFHSA-N 0 3 316.408 3.430 20 30 DGEDHN C[C@@]1(NCc2cc(Cl)ccc2OCC#N)CCO[C@H]1C1CC1 ZINC000784587817 624554633 /nfs/dbraw/zinc/55/46/33/624554633.db2.gz IITYPPHBTFFIBL-DLBZAZTESA-N 0 3 320.820 3.290 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667538 624633478 /nfs/dbraw/zinc/63/34/78/624633478.db2.gz MCCIMIHDIUNWAV-MGPQQGTHSA-N 0 3 316.367 3.062 20 30 DGEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)cc2)no1 ZINC000879680189 624638171 /nfs/dbraw/zinc/63/81/71/624638171.db2.gz FVOHMKPRJFOXFA-ALOPSCKCSA-N 0 3 308.385 3.160 20 30 DGEDHN N#CCc1ccc(CN2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000879690904 624641778 /nfs/dbraw/zinc/64/17/78/624641778.db2.gz LFWFWZBVBMCARU-IBGZPJMESA-N 0 3 318.424 3.132 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2CCC(C)(C)C#N ZINC000879756177 624667497 /nfs/dbraw/zinc/66/74/97/624667497.db2.gz ZSHOWUDUGXCGSY-HUUCEWRRSA-N 0 3 321.465 3.400 20 30 DGEDHN OCCC1C[C@H]2CC[C@@H](C1)N2CC#Cc1cccc(Cl)c1 ZINC000879776127 624673422 /nfs/dbraw/zinc/67/34/22/624673422.db2.gz HLRZOZHFFNHPHQ-ZNXRZULTSA-N 0 3 303.833 3.317 20 30 DGEDHN C#CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785616560 624702243 /nfs/dbraw/zinc/70/22/43/624702243.db2.gz FBEQOWNMALIVSX-HXUWFJFHSA-N 0 3 302.377 3.347 20 30 DGEDHN CC(C)(O)[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000880145433 624808370 /nfs/dbraw/zinc/80/83/70/624808370.db2.gz JVLDDKBAFJVUKM-HNNXBMFYSA-N 0 3 311.347 3.150 20 30 DGEDHN CC(C)(C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531994 624913313 /nfs/dbraw/zinc/91/33/13/624913313.db2.gz XROIVPXHHUYJNI-AWEZNQCLSA-N 0 3 320.820 3.491 20 30 DGEDHN N#Cc1cccc(COC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786825658 624957054 /nfs/dbraw/zinc/95/70/54/624957054.db2.gz MYOMNIXLKVELED-UHFFFAOYSA-N 0 3 320.392 3.050 20 30 DGEDHN C#CCC1(O)CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000880478027 624965486 /nfs/dbraw/zinc/96/54/86/624965486.db2.gz QQECIROEGAOEHP-UHFFFAOYSA-N 0 3 313.441 3.165 20 30 DGEDHN CC(C)[C@]1(C)C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787061855 624975216 /nfs/dbraw/zinc/97/52/16/624975216.db2.gz SHQLTASNVCNFRX-GJYPPUQNSA-N 0 3 312.413 3.036 20 30 DGEDHN CCC[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787079046 624976658 /nfs/dbraw/zinc/97/66/58/624976658.db2.gz ODWANGBKQOXZCG-IRXDYDNUSA-N 0 3 314.429 3.426 20 30 DGEDHN C#CCC1(C(=O)NCCN(C)Cc2ccccc2)CCCCC1 ZINC000788176088 625089802 /nfs/dbraw/zinc/08/98/02/625089802.db2.gz STFWRXYNPOHPIT-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN CCN(CC)c1ccc(C=NN[C@@H](CO)c2ccccc2)cc1 ZINC000788469186 625188472 /nfs/dbraw/zinc/18/84/72/625188472.db2.gz OYIBEZZGTADREM-IBGZPJMESA-N 0 3 311.429 3.190 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000788608332 625227654 /nfs/dbraw/zinc/22/76/54/625227654.db2.gz FLZBEIINJIMDHM-NEPJUHHUSA-N 0 3 310.357 3.460 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000796632431 626067879 /nfs/dbraw/zinc/06/78/79/626067879.db2.gz MERMMWFMKREFQT-UHFFFAOYSA-N 0 3 317.392 3.022 20 30 DGEDHN CCOC(=O)C(C)(C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797570929 626153803 /nfs/dbraw/zinc/15/38/03/626153803.db2.gz LZODSUOTGSQNFI-SNVBAGLBSA-N 0 3 322.430 3.206 20 30 DGEDHN CC1=CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000797997670 626188422 /nfs/dbraw/zinc/18/84/22/626188422.db2.gz ZRPPXYMXCFDZDU-CYBMUJFWSA-N 0 3 311.410 3.125 20 30 DGEDHN CC(C)[C@H](C(=O)C(C#N)c1nc2ccccc2s1)N(C)C ZINC000798813918 626247629 /nfs/dbraw/zinc/24/76/29/626247629.db2.gz AQCHOZZZWWZNLG-BXUZGUMPSA-N 0 3 301.415 3.059 20 30 DGEDHN N#Cc1cc(C(=O)OC[C@H]2CCCCN2Cc2ccccc2)c[nH]1 ZINC000799631943 626315132 /nfs/dbraw/zinc/31/51/32/626315132.db2.gz GGSNRVQPUYRUDZ-GOSISDBHSA-N 0 3 323.396 3.098 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000800410600 626357527 /nfs/dbraw/zinc/35/75/27/626357527.db2.gz XVDJLTQXXHBSLE-GOEBONIOSA-N 0 3 300.402 3.146 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552492 626409669 /nfs/dbraw/zinc/40/96/69/626409669.db2.gz CQQGUPYLZMUFJP-MRXNPFEDSA-N 0 3 306.413 3.145 20 30 DGEDHN COc1ccc(CN(CCO[C@@H](C)C#N)C(C)(C)C)c(OC)c1 ZINC000801929803 626426297 /nfs/dbraw/zinc/42/62/97/626426297.db2.gz ZGTNWMCSLCBMLG-AWEZNQCLSA-N 0 3 320.433 3.233 20 30 DGEDHN C=CCC[C@H](COc1ccccc1)NCc1ccc(C#N)cn1 ZINC000883217464 626612445 /nfs/dbraw/zinc/61/24/45/626612445.db2.gz JGPKJMNEKSCERK-GOSISDBHSA-N 0 3 307.397 3.457 20 30 DGEDHN C=CCC[C@H](NCc1nccn1CC)[C@@H]1Cc2ccccc2O1 ZINC000883225579 626615670 /nfs/dbraw/zinc/61/56/70/626615670.db2.gz JUYFIJWWEOTMSN-WMZOPIPTSA-N 0 3 311.429 3.331 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883392920 626672159 /nfs/dbraw/zinc/67/21/59/626672159.db2.gz RFJJSKFWNHVNRJ-VXGBXAGGSA-N 0 3 310.419 3.294 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000883392918 626672333 /nfs/dbraw/zinc/67/23/33/626672333.db2.gz RFJJSKFWNHVNRJ-NWDGAFQWSA-N 0 3 310.419 3.294 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000807620812 626763561 /nfs/dbraw/zinc/76/35/61/626763561.db2.gz QFWMPYJWSFSLNW-FUHWJXTLSA-N 0 3 315.461 3.255 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@H]1CCSC1 ZINC000808002289 626785525 /nfs/dbraw/zinc/78/55/25/626785525.db2.gz YSGLTAUNRUBTID-QVNDSJERSA-N 0 3 301.459 3.379 20 30 DGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000884044512 626809267 /nfs/dbraw/zinc/80/92/67/626809267.db2.gz LEJRRKPDKWMCBL-KGXJWFGYSA-N 0 3 324.211 3.071 20 30 DGEDHN C=CCCC[C@H](C)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068146 626974244 /nfs/dbraw/zinc/97/42/44/626974244.db2.gz IZVVRGJZMNONCU-QWHCGFSZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC[C@H](C)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068146 626974248 /nfs/dbraw/zinc/97/42/48/626974248.db2.gz IZVVRGJZMNONCU-QWHCGFSZSA-N 0 3 306.372 3.122 20 30 DGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886001545 627079745 /nfs/dbraw/zinc/07/97/45/627079745.db2.gz CFYLYCXTSOJMLW-OCCSQVGLSA-N 0 3 307.463 3.198 20 30 DGEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)cc1 ZINC000886100150 627105179 /nfs/dbraw/zinc/10/51/79/627105179.db2.gz GVNLBFJLOPAPIF-IBGZPJMESA-N 0 3 321.424 3.092 20 30 DGEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000886111917 627107013 /nfs/dbraw/zinc/10/70/13/627107013.db2.gz LACFIBAVFHPLJJ-CZUORRHYSA-N 0 3 308.372 3.450 20 30 DGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@H](O)CC1(C#N)CCC1 ZINC000886120755 627108364 /nfs/dbraw/zinc/10/83/64/627108364.db2.gz MYLPWJHYNUPYHQ-FRRDWIJNSA-N 0 3 304.356 3.094 20 30 DGEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2c(CC)cccc2CC)C1 ZINC000886356393 627141780 /nfs/dbraw/zinc/14/17/80/627141780.db2.gz YVVAWUJYPYSNMF-HOTGVXAUSA-N 0 3 312.457 3.484 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2c(CC)cccc2CC)C1 ZINC000886356394 627141971 /nfs/dbraw/zinc/14/19/71/627141971.db2.gz YVVAWUJYPYSNMF-HZPDHXFCSA-N 0 3 312.457 3.484 20 30 DGEDHN C=C(C)CN1CCN(CC(=C)C)[C@@H](Cc2cccc(OC)c2)C1 ZINC000886384302 627145470 /nfs/dbraw/zinc/14/54/70/627145470.db2.gz MIXFKOSFRMDPOZ-IBGZPJMESA-N 0 3 314.473 3.376 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)CCC=C(C)C)C1CCN(C)CC1 ZINC000886574625 627166604 /nfs/dbraw/zinc/16/66/04/627166604.db2.gz MSBPWVWAIYXNLF-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)C[C@@H](C)c1ccccc1C)C1CCN(C)CC1 ZINC000886581229 627167032 /nfs/dbraw/zinc/16/70/32/627167032.db2.gz OOZVRJOYQICQAP-QGZVFWFLSA-N 0 3 312.457 3.045 20 30 DGEDHN C#CCN(C(=O)c1cc2cc(C)c(C)cc2o1)C1CCN(C)CC1 ZINC000886581386 627167145 /nfs/dbraw/zinc/16/71/45/627167145.db2.gz VZWPWUQVZONIKW-UHFFFAOYSA-N 0 3 324.424 3.219 20 30 DGEDHN C#CCN(C(=O)c1oc2c(cccc2C)c1C)C1CCN(C)CC1 ZINC000886583147 627167288 /nfs/dbraw/zinc/16/72/88/627167288.db2.gz DCIYJYFGFWHWCE-UHFFFAOYSA-N 0 3 324.424 3.219 20 30 DGEDHN C#CCN(C(=O)c1cc2sccc2s1)C1CCN(C)CC1 ZINC000886583647 627167538 /nfs/dbraw/zinc/16/75/38/627167538.db2.gz ZAYKFACTZCDOLY-UHFFFAOYSA-N 0 3 318.467 3.132 20 30 DGEDHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000221271193 627217230 /nfs/dbraw/zinc/21/72/30/627217230.db2.gz GAPWCCHUFYQOQA-ZIAGYGMSSA-N 0 3 309.454 3.304 20 30 DGEDHN C#CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811518040 627285944 /nfs/dbraw/zinc/28/59/44/627285944.db2.gz DVGDTXHVDJHURM-RBUKOAKNSA-N 0 3 311.425 3.232 20 30 DGEDHN CCCN1CCN(c2ccccc2C=NOC/C=C/Cl)CC1 ZINC000811668352 627304413 /nfs/dbraw/zinc/30/44/13/627304413.db2.gz FDUWRKCRKNXYDV-GPJYJAOPSA-N 0 3 321.852 3.322 20 30 DGEDHN C=CCCCCCCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000811902717 627336076 /nfs/dbraw/zinc/33/60/76/627336076.db2.gz SWQHPZDIVKGITN-INIZCTEOSA-N 0 3 307.482 3.463 20 30 DGEDHN C#C[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000812353176 627373997 /nfs/dbraw/zinc/37/39/97/627373997.db2.gz HYQMAHIARVOOBQ-YOEHRIQHSA-N 0 3 318.848 3.395 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@](C)(OC)C2CC2)c([O-])c1 ZINC000812444457 627387256 /nfs/dbraw/zinc/38/72/56/627387256.db2.gz HGIWLJYANHNPPP-LSCADSNKSA-N 0 3 304.434 3.472 20 30 DGEDHN COC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000813211338 627467581 /nfs/dbraw/zinc/46/75/81/627467581.db2.gz INIALBATLZSGHH-NSHDSACASA-N 0 3 312.291 3.236 20 30 DGEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813217500 627468704 /nfs/dbraw/zinc/46/87/04/627468704.db2.gz HLFSNJNDKQXFEG-MDZLAQPJSA-N 0 3 312.291 3.234 20 30 DGEDHN CCCCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218407 627468733 /nfs/dbraw/zinc/46/87/33/627468733.db2.gz VVHUYYCMKYJGSE-PWSUYJOCSA-N 0 3 314.307 3.482 20 30 DGEDHN CO[C@](C)(C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813216905 627468917 /nfs/dbraw/zinc/46/89/17/627468917.db2.gz HRQAJXIIHKTQPH-FZMZJTMJSA-N 0 3 312.291 3.092 20 30 DGEDHN Cc1ccc([N+](=O)[O-])cc1NNC1=C[C@@H](C(F)(F)F)OCC1 ZINC000814824420 627595790 /nfs/dbraw/zinc/59/57/90/627595790.db2.gz VCZXHAPOTHJSJW-LBPRGKRZSA-N 0 3 317.267 3.412 20 30 DGEDHN CCCN1CC[C@@H](C[NH2+][C@H](CC)c2cccc(C#N)c2[O-])C1 ZINC000924754026 627676553 /nfs/dbraw/zinc/67/65/53/627676553.db2.gz RVAVUIRYZZUGSN-WMLDXEAASA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000924774011 627678553 /nfs/dbraw/zinc/67/85/53/627678553.db2.gz QBJZXKYXIPLDQX-HOCLYGCPSA-N 0 3 301.434 3.124 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000924774009 627678704 /nfs/dbraw/zinc/67/87/04/627678704.db2.gz QBJZXKYXIPLDQX-GOEBONIOSA-N 0 3 301.434 3.124 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000816038677 627729380 /nfs/dbraw/zinc/72/93/80/627729380.db2.gz DGIBYYDXHLFHOZ-DQVOVIAYSA-N 0 3 324.424 3.180 20 30 DGEDHN CC[C@@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925854039 627806273 /nfs/dbraw/zinc/80/62/73/627806273.db2.gz KWSMGFUDWCPLOC-HUUCEWRRSA-N 0 3 311.351 3.283 20 30 DGEDHN C[C@H](CC(C)(C)C#N)Nc1ccccc1CN1CCC(O)CC1 ZINC000925884533 627811959 /nfs/dbraw/zinc/81/19/59/627811959.db2.gz XULPJYCCHJDACK-OAHLLOKOSA-N 0 3 315.461 3.384 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000926239553 627868326 /nfs/dbraw/zinc/86/83/26/627868326.db2.gz JMYDNIOCRZQKNY-ZBFHGGJFSA-N 0 3 305.466 3.228 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](CC)C1 ZINC000817414272 627896180 /nfs/dbraw/zinc/89/61/80/627896180.db2.gz DQLPFTVJWRHBQC-KGLIPLIRSA-N 0 3 307.821 3.399 20 30 DGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000926541982 627911402 /nfs/dbraw/zinc/91/14/02/627911402.db2.gz UVXCQKCOFQFWAA-KFWWJZLASA-N 0 3 313.445 3.271 20 30 DGEDHN C=C1CCC(CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000926926295 627982813 /nfs/dbraw/zinc/98/28/13/627982813.db2.gz WDRUKODSKRHRHN-INIZCTEOSA-N 0 3 323.433 3.380 20 30 DGEDHN C[C@@H](NCCNc1ccc(C#N)cn1)c1cc(F)c(F)c(F)c1 ZINC000927163126 628029810 /nfs/dbraw/zinc/02/98/10/628029810.db2.gz DCLJPTMHBFZYIY-SNVBAGLBSA-N 0 3 320.318 3.133 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccccc1Oc1ccccc1 ZINC000818584438 628038389 /nfs/dbraw/zinc/03/83/89/628038389.db2.gz NBGUWOFLPDRYQJ-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccccc1Nc1ccccc1 ZINC000818593161 628039876 /nfs/dbraw/zinc/03/98/76/628039876.db2.gz OATGPZNRISAFQR-UHFFFAOYSA-N 0 3 321.424 3.115 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000818603352 628040487 /nfs/dbraw/zinc/04/04/87/628040487.db2.gz ZGWUMGAGJHZQOS-UXHICEINSA-N 0 3 320.436 3.015 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000818595933 628040685 /nfs/dbraw/zinc/04/06/85/628040685.db2.gz UKKGVXQZNLRCAC-WOJBJXKFSA-N 0 3 320.436 3.015 20 30 DGEDHN CC(C)Oc1ccccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000818968048 628068843 /nfs/dbraw/zinc/06/88/43/628068843.db2.gz IZAXZWBORJMVNW-SFHVURJKSA-N 0 3 310.397 3.169 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)c1c(F)cccc1F ZINC000819271117 628124026 /nfs/dbraw/zinc/12/40/26/628124026.db2.gz NUHZAQXVXIAEFH-IAGOWNOFSA-N 0 3 314.335 3.147 20 30 DGEDHN COc1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)nc1 ZINC000821620068 628388549 /nfs/dbraw/zinc/38/85/49/628388549.db2.gz WWSFYVGGIQNAIG-ZDUSSCGKSA-N 0 3 323.377 3.119 20 30 DGEDHN C=CCc1cc(CNCc2ccncc2C)cc(OC)c1OC ZINC000823825576 628599933 /nfs/dbraw/zinc/59/99/33/628599933.db2.gz UHBAWTALDVOODM-UHFFFAOYSA-N 0 3 312.413 3.426 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000824696719 628684889 /nfs/dbraw/zinc/68/48/89/628684889.db2.gz QQVLHDATIMXKPS-DNVCBOLYSA-N 0 3 310.397 3.143 20 30 DGEDHN C=CC(C)(C)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824783974 628693533 /nfs/dbraw/zinc/69/35/33/628693533.db2.gz YMBRLMCLMSERDW-UHFFFAOYSA-N 0 3 314.223 3.465 20 30 DGEDHN COC(=O)C1(C#N)CCN(C[C@@H](C)CC2CCCCC2)CC1 ZINC000824871997 628702001 /nfs/dbraw/zinc/70/20/01/628702001.db2.gz NCVGWEHJIOEIAE-HNNXBMFYSA-N 0 3 306.450 3.372 20 30 DGEDHN C=C(C)CN1CCC([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825222748 628739138 /nfs/dbraw/zinc/73/91/38/628739138.db2.gz MWJPHEMSMYBOBX-UHFFFAOYSA-N 0 3 308.853 3.484 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C#Cc2cccs2)C1 ZINC000825389414 628756746 /nfs/dbraw/zinc/75/67/46/628756746.db2.gz NJGPRWYQWUZZBL-RDJZCZTQSA-N 0 3 324.449 3.051 20 30 DGEDHN C#C[C@H](NCc1ccc(OCCC)c(OC)c1)C1CCOCC1 ZINC000827570341 628971971 /nfs/dbraw/zinc/97/19/71/628971971.db2.gz MSXJKPNBTJAKEU-KRWDZBQOSA-N 0 3 317.429 3.002 20 30 DGEDHN C#CCCN(CCOC)Cc1ccccc1N1CCCCC1 ZINC000827818723 628994154 /nfs/dbraw/zinc/99/41/54/628994154.db2.gz UTYGSQDSPGOWFU-UHFFFAOYSA-N 0 3 300.446 3.149 20 30 DGEDHN CC(C)CC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000827876401 628999001 /nfs/dbraw/zinc/99/90/01/628999001.db2.gz FISJGCNOGFRCJG-UHFFFAOYSA-N 0 3 314.429 3.407 20 30 DGEDHN C=CCOc1ccc(CN(CC[S@@](C)=O)C(C)(C)C)cc1 ZINC000828052456 629017966 /nfs/dbraw/zinc/01/79/66/629017966.db2.gz FUMLYUOGPMOJJG-OAQYLSRUSA-N 0 3 309.475 3.230 20 30 DGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000829779395 629191762 /nfs/dbraw/zinc/19/17/62/629191762.db2.gz STHODKXRJOJYNS-ZBFHGGJFSA-N 0 3 318.848 3.080 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)OC1CCCC1 ZINC000830003394 629216811 /nfs/dbraw/zinc/21/68/11/629216811.db2.gz XJNXJZZVNQWHID-UHFFFAOYSA-N 0 3 315.417 3.001 20 30 DGEDHN C[C@@H](C#N)OCCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000830327639 629253299 /nfs/dbraw/zinc/25/32/99/629253299.db2.gz WDQLBAYHZQYIQP-NSHDSACASA-N 0 3 314.307 3.093 20 30 DGEDHN C[C@@H](CC#N)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000830969423 629325512 /nfs/dbraw/zinc/32/55/12/629325512.db2.gz DVBRQFHOEWQGFI-FUHWJXTLSA-N 0 3 313.445 3.049 20 30 DGEDHN CO[C@@H]1C[C@H](NCc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000831332021 629363580 /nfs/dbraw/zinc/36/35/80/629363580.db2.gz DARSCVCXYHUXPG-LSDHHAIUSA-N 0 3 308.809 3.145 20 30 DGEDHN CC[C@H](C)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000832187294 629448518 /nfs/dbraw/zinc/44/85/18/629448518.db2.gz KAGLUFOOSVYXFD-AWEZNQCLSA-N 0 3 321.852 3.158 20 30 DGEDHN C#Cc1cccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000834901625 629802851 /nfs/dbraw/zinc/80/28/51/629802851.db2.gz AIZHYURTLAMCHY-OAHLLOKOSA-N 0 3 320.392 3.475 20 30 DGEDHN C#Cc1cccc(CN[C@H]2CCN(C(C)=O)Cc3ccccc32)c1 ZINC000834904225 629803934 /nfs/dbraw/zinc/80/39/34/629803934.db2.gz WKOBJMBCFUEYME-NRFANRHFSA-N 0 3 318.420 3.251 20 30 DGEDHN C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000834902256 629804035 /nfs/dbraw/zinc/80/40/35/629804035.db2.gz GIMNGJMXXWVENM-CQSZACIVSA-N 0 3 304.393 3.403 20 30 DGEDHN C[C@@H]1CCC(=NNC2=N[C@@H]3CCCC[C@@H]3N2)c2sccc21 ZINC000834965867 629814055 /nfs/dbraw/zinc/81/40/55/629814055.db2.gz ILOBWEQQUDKSPS-RTXFEEFZSA-N 0 3 302.447 3.210 20 30 DGEDHN CN(C)Cc1cccc(C(=O)O[C@H](C#N)C2CCCCC2)c1 ZINC000835344315 629911652 /nfs/dbraw/zinc/91/16/52/629911652.db2.gz NDIUZJIYNLUHBO-QGZVFWFLSA-N 0 3 300.402 3.377 20 30 DGEDHN CSc1ccc([C@@H](CNC(=O)C#CC(C)(C)C)N(C)C)cc1 ZINC000837672637 630295274 /nfs/dbraw/zinc/29/52/74/630295274.db2.gz HXFFDWNGFWFSDU-MRXNPFEDSA-N 0 3 318.486 3.177 20 30 DGEDHN CN(CCOC(=O)[C@@]1(C#N)CC12CCCC2)Cc1ccccc1 ZINC000837902447 630325001 /nfs/dbraw/zinc/32/50/01/630325001.db2.gz LMYMRELOKCZPQB-IBGZPJMESA-N 0 3 312.413 3.136 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC23CCOCC3)c([O-])c1 ZINC000840709898 630350679 /nfs/dbraw/zinc/35/06/79/630350679.db2.gz OTRDFUCRBCMKSC-HNMKQIAWSA-N 0 3 302.418 3.226 20 30 DGEDHN CCC1(c2ccccc2)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000840770229 630357107 /nfs/dbraw/zinc/35/71/07/630357107.db2.gz MNDYIYFGUPITJA-IBGZPJMESA-N 0 3 306.409 3.255 20 30 DGEDHN CO[C@H](CC(C)C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000842366264 630524289 /nfs/dbraw/zinc/52/42/89/630524289.db2.gz GFJAQDMTENSVPI-WCQYABFASA-N 0 3 314.307 3.338 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc(C2CC2)cs1)c1ccccc1 ZINC000842941539 630596422 /nfs/dbraw/zinc/59/64/22/630596422.db2.gz QPXNJDCMDFCJNJ-CQSZACIVSA-N 0 3 311.410 3.333 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(N(C)C)c2)cc1 ZINC000105434104 630710231 /nfs/dbraw/zinc/71/02/31/630710231.db2.gz KESJJKAVWPPFOD-HNNXBMFYSA-N 0 3 309.413 3.333 20 30 DGEDHN N#Cc1cccc(CN2CCC(/N=C\c3ccccc3O)CC2)c1 ZINC000844272475 630715134 /nfs/dbraw/zinc/71/51/34/630715134.db2.gz WZFIPJVVEWMMDT-HMAPJEAMSA-N 0 3 319.408 3.347 20 30 DGEDHN CN(CCc1c(F)cccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC000844370455 630722030 /nfs/dbraw/zinc/72/20/30/630722030.db2.gz YPOABOFIPHFDAU-SFHVURJKSA-N 0 3 316.351 3.044 20 30 DGEDHN CC(C)(C)N1CC[C@H]1COC(=O)C[C@H](CC#N)c1ccccc1 ZINC000845735535 631193038 /nfs/dbraw/zinc/19/30/38/631193038.db2.gz JYRRDEHBQBQALI-IRXDYDNUSA-N 0 3 314.429 3.490 20 30 DGEDHN C[C@H](C#N)OCCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000847063529 631394866 /nfs/dbraw/zinc/39/48/66/631394866.db2.gz LCGSOXQLYYLCCB-LLVKDONJSA-N 0 3 314.307 3.093 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000847737013 631528292 /nfs/dbraw/zinc/52/82/92/631528292.db2.gz QCECXOCGECBBDH-YOEHRIQHSA-N 0 3 314.429 3.153 20 30 DGEDHN CC[C@H](C)C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847745477 631531640 /nfs/dbraw/zinc/53/16/40/631531640.db2.gz HXLLBDFLPATTRF-INIZCTEOSA-N 0 3 314.429 3.382 20 30 DGEDHN C/C=C(\C)C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847748552 631531668 /nfs/dbraw/zinc/53/16/68/631531668.db2.gz CWGSTFVNTVJUQE-HQYXKAPLSA-N 0 3 312.413 3.302 20 30 DGEDHN N#CC1(COC(=O)C2=CCCC2)CCN(Cc2ccccc2)CC1 ZINC000847748565 631531901 /nfs/dbraw/zinc/53/19/01/631531901.db2.gz DJPSNOVEMCJPHB-UHFFFAOYSA-N 0 3 324.424 3.446 20 30 DGEDHN CC(C)(C)[S@](=O)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000848537212 631682655 /nfs/dbraw/zinc/68/26/55/631682655.db2.gz BSRKTBGYLSMDFY-OAQYLSRUSA-N 0 3 306.475 3.125 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCC2CC(OC)C2)c([O-])c1 ZINC000849169142 631851217 /nfs/dbraw/zinc/85/12/17/631851217.db2.gz BFRHVQJEKQBHDI-UYRXBGFRSA-N 0 3 304.434 3.472 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850370304 632129065 /nfs/dbraw/zinc/12/90/65/632129065.db2.gz CXYPBRVPEIJSDN-UXHICEINSA-N 0 3 307.393 3.357 20 30 DGEDHN C#CCCOc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850370307 632129258 /nfs/dbraw/zinc/12/92/58/632129258.db2.gz CXYPBRVPEIJSDN-VQTJNVASSA-N 0 3 307.393 3.357 20 30 DGEDHN C=CCC[C@@H](NCC[S@@](=O)CC(F)(F)F)c1ccco1 ZINC000850496452 632171537 /nfs/dbraw/zinc/17/15/37/632171537.db2.gz NSFNOKRSBUXZCJ-BIBXISHDSA-N 0 3 309.353 3.188 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850584627 632202270 /nfs/dbraw/zinc/20/22/70/632202270.db2.gz SFJHBAOYSRDALC-TWOQFEAHSA-N 0 3 309.409 3.471 20 30 DGEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850760697 632218246 /nfs/dbraw/zinc/21/82/46/632218246.db2.gz 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C=CCN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000944306525 660219974 /nfs/dbraw/zinc/21/99/74/660219974.db2.gz SEVQTXBFWYKIOC-BXUZGUMPSA-N 0 3 310.800 3.105 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000944634020 660227203 /nfs/dbraw/zinc/22/72/03/660227203.db2.gz LPSCBCPDKTYVMP-JXFKEZNVSA-N 0 3 320.436 3.303 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000944632381 660227463 /nfs/dbraw/zinc/22/74/63/660227463.db2.gz BCOCRSYUZPWDFP-UKRRQHHQSA-N 0 3 318.486 3.253 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000944632382 660227506 /nfs/dbraw/zinc/22/75/06/660227506.db2.gz BCOCRSYUZPWDFP-ZFWWWQNUSA-N 0 3 318.486 3.253 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2sccc2C2CC2)[C@H](C)C1 ZINC000944651453 660228405 /nfs/dbraw/zinc/22/84/05/660228405.db2.gz FQULVAMONWOUGJ-CZUORRHYSA-N 0 3 316.470 3.089 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ncsc2C(C)C)C[C@@H]1C ZINC000947916217 660247451 /nfs/dbraw/zinc/24/74/51/660247451.db2.gz 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ZINC001032451338 660321854 /nfs/dbraw/zinc/32/18/54/660321854.db2.gz CIKSPKITADPNKY-OALUTQOASA-N 0 3 324.468 3.261 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001038518384 660314721 /nfs/dbraw/zinc/31/47/21/660314721.db2.gz QJRLZGOICKFQIC-CJNGLKHVSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCCC1 ZINC001032450220 660321857 /nfs/dbraw/zinc/32/18/57/660321857.db2.gz JACYBHPQELHIRN-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2CCC3(CC3)CC2)CC1 ZINC000997225873 660315436 /nfs/dbraw/zinc/31/54/36/660315436.db2.gz XJJWCTKUGTXPPB-MRXNPFEDSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000997438230 660324261 /nfs/dbraw/zinc/32/42/61/660324261.db2.gz DLEICDLNMPTFNJ-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3c(cccc3C)o2)CC1 ZINC000997437691 660324375 /nfs/dbraw/zinc/32/43/75/660324375.db2.gz YMLNFFLMYRJJST-OAHLLOKOSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(Cl)ccc2F)CC1 ZINC000948597731 660329822 /nfs/dbraw/zinc/32/98/22/660329822.db2.gz DAUOYWMSZCBTSO-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000997601280 660334821 /nfs/dbraw/zinc/33/48/21/660334821.db2.gz ORCMQBZIYSOHDM-PKOBYXMFSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000997636371 660336173 /nfs/dbraw/zinc/33/61/73/660336173.db2.gz NOBQZSJEOOWOJM-PKOBYXMFSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000946309633 660341279 /nfs/dbraw/zinc/34/12/79/660341279.db2.gz CJMQJSXPNKVNBA-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3=CCCC3)cc2)[C@@H](C)C1 ZINC000946313335 660341541 /nfs/dbraw/zinc/34/15/41/660341541.db2.gz PFFVWACUWQYPSU-JXFKEZNVSA-N 0 3 322.452 3.327 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000997676397 660338491 /nfs/dbraw/zinc/33/84/91/660338491.db2.gz 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ZINC000997927252 660356890 /nfs/dbraw/zinc/35/68/90/660356890.db2.gz LZTUOKSJYQGIKK-SFHVURJKSA-N 0 3 316.420 3.166 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)cs2)CC1 ZINC000998008208 660363307 /nfs/dbraw/zinc/36/33/07/660363307.db2.gz XZUKJIUJWNGDRU-INIZCTEOSA-N 0 3 318.486 3.396 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2sccc2Cl)CC1 ZINC000998005449 660363315 /nfs/dbraw/zinc/36/33/15/660363315.db2.gz ASGDCAXZBQLOSG-ZDUSSCGKSA-N 0 3 324.877 3.351 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cccc(C)c2F)CC1 ZINC000998011990 660364102 /nfs/dbraw/zinc/36/41/02/660364102.db2.gz LWVABCFGDGHHDA-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(CC)o2)CC1 ZINC000998047603 660366352 /nfs/dbraw/zinc/36/63/52/660366352.db2.gz QWKNMMKSHBRNBH-MRXNPFEDSA-N 0 3 316.445 3.182 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)C[C@H]1C ZINC000947943663 660367411 /nfs/dbraw/zinc/36/74/11/660367411.db2.gz NRWSJYUFDXGDEQ-CJNGLKHVSA-N 0 3 320.383 3.230 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)C2CCC3(CC3)CC2)CC1 ZINC000998070336 660367588 /nfs/dbraw/zinc/36/75/88/660367588.db2.gz JGTBHDDPPNZYQI-GOSISDBHSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)C[C@@H]1C ZINC000947943665 660367617 /nfs/dbraw/zinc/36/76/17/660367617.db2.gz NRWSJYUFDXGDEQ-XJKSGUPXSA-N 0 3 320.383 3.230 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2csc(C)c2)CC1 ZINC000998149873 660372878 /nfs/dbraw/zinc/37/28/78/660372878.db2.gz KPENYWHJEBSHHE-INIZCTEOSA-N 0 3 304.459 3.006 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000998165312 660373972 /nfs/dbraw/zinc/37/39/72/660373972.db2.gz LLRAWDUOJPVFFI-MSOLQXFVSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2cc(CCC)on2)CC1 ZINC000998172122 660374151 /nfs/dbraw/zinc/37/41/51/660374151.db2.gz RHTCWUGCVCBQRI-OAHLLOKOSA-N 0 3 319.449 3.130 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccccc2Cl)CC1 ZINC000998180844 660374745 /nfs/dbraw/zinc/37/47/45/660374745.db2.gz MWQYPCLVHJZULG-HNNXBMFYSA-N 0 3 318.848 3.290 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)ccc2C)CC1 ZINC000998186926 660374990 /nfs/dbraw/zinc/37/49/90/660374990.db2.gz INJGJBAAOHWNQN-SFHVURJKSA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000998192895 660375453 /nfs/dbraw/zinc/37/54/53/660375453.db2.gz IUNHWSZDZWPJJY-CSODTCANSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)c(C)s2)CC1 ZINC000998200197 660375908 /nfs/dbraw/zinc/37/59/08/660375908.db2.gz YUMCVSRXPDJXOX-MRXNPFEDSA-N 0 3 318.486 3.315 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2CCCC2)CC[C@H]1C(F)(F)F ZINC000998214826 660376344 /nfs/dbraw/zinc/37/63/44/660376344.db2.gz GKZZMKZNIQENIE-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000998112236 660370773 /nfs/dbraw/zinc/37/07/73/660370773.db2.gz SRLMWPJPUQAXKV-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998230512 660377135 /nfs/dbraw/zinc/37/71/35/660377135.db2.gz GCANACMXUJYWKQ-UONOGXRCSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C(F)=C(C)C)CC[C@H]1C(F)(F)F ZINC000998234292 660377453 /nfs/dbraw/zinc/37/74/53/660377453.db2.gz FBPRVNISNTXRDE-VXGBXAGGSA-N 0 3 322.346 3.195 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C2CCCCC2)CC[C@H]1C(F)(F)F ZINC000998232594 660377459 /nfs/dbraw/zinc/37/74/59/660377459.db2.gz HUBJKXZOANLSDS-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000998232573 660377511 /nfs/dbraw/zinc/37/75/11/660377511.db2.gz HUBJKXZOANLSDS-KBPBESRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000999155160 660405910 /nfs/dbraw/zinc/40/59/10/660405910.db2.gz DSRUUIUCUMDGCD-NXSPZCGBSA-N 0 3 310.869 3.144 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001032672880 660411370 /nfs/dbraw/zinc/41/13/70/660411370.db2.gz MFJYHKATQPRDDO-LWYYNNOASA-N 0 3 324.468 3.268 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)C=CCC2 ZINC001032679092 660412437 /nfs/dbraw/zinc/41/24/37/660412437.db2.gz DUQGUMFDQQYNLM-OALUTQOASA-N 0 3 308.425 3.121 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cnccc2c1 ZINC001032714928 660418154 /nfs/dbraw/zinc/41/81/54/660418154.db2.gz IUQQHISFVXESAF-OALUTQOASA-N 0 3 321.424 3.100 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccccc2OCC)C1 ZINC000999774265 660427025 /nfs/dbraw/zinc/42/70/25/660427025.db2.gz KXYSYWVTXRBEEC-UHFFFAOYSA-N 0 3 322.836 3.030 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999901916 660430848 /nfs/dbraw/zinc/43/08/48/660430848.db2.gz XOOJPENFMYJYKA-OAHLLOKOSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCc2ccccc2C1 ZINC001032751757 660438508 /nfs/dbraw/zinc/43/85/08/660438508.db2.gz JYMXGTMUARQCHS-VDGAXYAQSA-N 0 3 324.468 3.043 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)(C)C)cc1 ZINC001032748585 660438631 /nfs/dbraw/zinc/43/86/31/660438631.db2.gz XBDVGCDVTYTKEO-ROUUACIJSA-N 0 3 312.457 3.459 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC3CCC3)CC[C@@H]2C1 ZINC000946536714 660441043 /nfs/dbraw/zinc/44/10/43/660441043.db2.gz VMDGGRKVHXFDLV-IYBDPMFKSA-N 0 3 310.869 3.100 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC001040516218 660441108 /nfs/dbraw/zinc/44/11/08/660441108.db2.gz SRKHPRDXHAHMKL-NRFANRHFSA-N 0 3 324.468 3.255 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)c(C)c1 ZINC001032770080 660442380 /nfs/dbraw/zinc/44/23/80/660442380.db2.gz JNIDIUPIFSGWMB-OALUTQOASA-N 0 3 312.457 3.097 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(F)c(C)c1 ZINC001032789240 660446265 /nfs/dbraw/zinc/44/62/65/660446265.db2.gz INNOREGZUMCNTN-IRXDYDNUSA-N 0 3 316.420 3.307 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2c1cccc2CC ZINC001032802224 660450723 /nfs/dbraw/zinc/45/07/23/660450723.db2.gz YBLHUOVANQPDJC-HOTGVXAUSA-N 0 3 323.440 3.205 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001032808527 660452091 /nfs/dbraw/zinc/45/20/91/660452091.db2.gz FLDYWUOMPFWCIN-ULQDDVLXSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)c(CC)c1 ZINC001032824340 660459125 /nfs/dbraw/zinc/45/91/25/660459125.db2.gz OIDBNUIGYMNHAB-OALUTQOASA-N 0 3 312.457 3.286 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cc(-c3ccccc3)co2)CC1 ZINC001002181568 660466951 /nfs/dbraw/zinc/46/69/51/660466951.db2.gz VNNVWQDXBLMLMO-UHFFFAOYSA-N 0 3 322.408 3.022 20 30 DGEDHN N#CC1(CCCCN2CCCN(CC(F)(F)F)CC2)CCC1 ZINC000929261012 660480703 /nfs/dbraw/zinc/48/07/03/660480703.db2.gz XJHQJXNGSZJKQX-UHFFFAOYSA-N 0 3 317.399 3.421 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001004343568 660545084 /nfs/dbraw/zinc/54/50/84/660545084.db2.gz BZOVXOIXZGQSGV-CZUORRHYSA-N 0 3 312.885 3.488 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001004396553 660548433 /nfs/dbraw/zinc/54/84/33/660548433.db2.gz ZIQWENRERLSENR-WMLDXEAASA-N 0 3 324.896 3.488 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nccc3ccsc32)C1 ZINC001033163341 660570535 /nfs/dbraw/zinc/57/05/35/660570535.db2.gz JDKUXMVWRWOEAZ-CQSZACIVSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001033196766 660583438 /nfs/dbraw/zinc/58/34/38/660583438.db2.gz DTBIAALSTJTLTK-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)c3ccccc3n2)C1 ZINC001033196402 660583694 /nfs/dbraw/zinc/58/36/94/660583694.db2.gz CPIXSYVCBZQYOU-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(C)cccc2Cl)C1 ZINC001033230969 660593808 /nfs/dbraw/zinc/59/38/08/660593808.db2.gz PWQNFWNIBCMHRE-HNNXBMFYSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)CC[C@@H]2C1 ZINC000946806393 660607463 /nfs/dbraw/zinc/60/74/63/660607463.db2.gz MOYOYCBSMRHHMZ-HRCADAONSA-N 0 3 312.885 3.201 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001033383012 660617216 /nfs/dbraw/zinc/61/72/16/660617216.db2.gz JZOWYDQLDCTJQI-OAHLLOKOSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2sc(CC)nc2C)C1 ZINC001033492084 660628521 /nfs/dbraw/zinc/62/85/21/660628521.db2.gz VIQDOGRASLCMMI-AWEZNQCLSA-N 0 3 321.490 3.126 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033499744 660628872 /nfs/dbraw/zinc/62/88/72/660628872.db2.gz PKYORLUTQVTKKS-YTQUADARSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001033511790 660629078 /nfs/dbraw/zinc/62/90/78/660629078.db2.gz CURGKVCFUSAAFN-GDBMZVCRSA-N 0 3 304.434 3.109 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001033511459 660629167 /nfs/dbraw/zinc/62/91/67/660629167.db2.gz BCJJYEOJFMTIPI-QFBILLFUSA-N 0 3 314.473 3.461 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033521201 660630583 /nfs/dbraw/zinc/63/05/83/660630583.db2.gz IIGJYPOMBNAQAE-MSOLQXFVSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033521207 660630670 /nfs/dbraw/zinc/63/06/70/660630670.db2.gz IIGJYPOMBNAQAE-ROUUACIJSA-N 0 3 312.457 3.215 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001033565545 660631739 /nfs/dbraw/zinc/63/17/39/660631739.db2.gz MRGQPNWPILAGGR-OLZOCXBDSA-N 0 3 324.877 3.061 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001033626571 660641369 /nfs/dbraw/zinc/64/13/69/660641369.db2.gz RTYQBWNOLKOMKL-DOTOQJQBSA-N 0 3 318.848 3.089 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)nc3ccccc32)C1 ZINC001033637636 660643325 /nfs/dbraw/zinc/64/33/25/660643325.db2.gz NZZDJSOWMWLVNS-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc3ccccc3c2)C1 ZINC001033643436 660645155 /nfs/dbraw/zinc/64/51/55/660645155.db2.gz XZISLZCAOYVHGT-IBGZPJMESA-N 0 3 308.425 3.101 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033677957 660648591 /nfs/dbraw/zinc/64/85/91/660648591.db2.gz GDNCWLXCDPPYMW-SJORKVTESA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001033681070 660649583 /nfs/dbraw/zinc/64/95/83/660649583.db2.gz RHIFMLVPADZAGZ-ZFWWWQNUSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033684764 660649612 /nfs/dbraw/zinc/64/96/12/660649612.db2.gz IYIWFTRHAKPBML-SFHVURJKSA-N 0 3 312.457 3.135 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001033696541 660651050 /nfs/dbraw/zinc/65/10/50/660651050.db2.gz VJYVRJQKRIBJSJ-XJKSGUPXSA-N 0 3 318.848 3.089 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033834819 660668272 /nfs/dbraw/zinc/66/82/72/660668272.db2.gz YCCXKCBBSDKWID-IRXDYDNUSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(C)c2F)C1 ZINC001033843577 660669335 /nfs/dbraw/zinc/66/93/35/660669335.db2.gz LHNFBDQENRMLGP-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033873557 660673736 /nfs/dbraw/zinc/67/37/36/660673736.db2.gz QGLBVDQVZKHHOE-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c[nH]c3ccccc23)C1 ZINC001033887534 660675713 /nfs/dbraw/zinc/67/57/13/660675713.db2.gz KUUWSLZAFOGNIV-HNNXBMFYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2c[nH]c3ccccc23)C1 ZINC001033887535 660675824 /nfs/dbraw/zinc/67/58/24/660675824.db2.gz KUUWSLZAFOGNIV-OAHLLOKOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033908505 660678047 /nfs/dbraw/zinc/67/80/47/660678047.db2.gz TVTYQCHPHXJDTK-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034009561 660692496 /nfs/dbraw/zinc/69/24/96/660692496.db2.gz OLJBBGIFQXULEP-INIZCTEOSA-N 0 3 315.461 3.006 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(CC)c(C)s2)C1 ZINC001034037409 660698049 /nfs/dbraw/zinc/69/80/49/660698049.db2.gz YNHMPBXSYCPEDI-MRXNPFEDSA-N 0 3 318.486 3.179 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034050260 660702003 /nfs/dbraw/zinc/70/20/03/660702003.db2.gz HZHDIGXZXITQGE-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034027354 660696009 /nfs/dbraw/zinc/69/60/09/660696009.db2.gz ZMWZBRZWLLCSGW-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034037913 660697923 /nfs/dbraw/zinc/69/79/23/660697923.db2.gz BWUAIENOWGHVJH-IBGZPJMESA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001034235591 660727260 /nfs/dbraw/zinc/72/72/60/660727260.db2.gz CYPORAIYWXUCGX-QGZVFWFLSA-N 0 3 311.429 3.018 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001034241249 660728740 /nfs/dbraw/zinc/72/87/40/660728740.db2.gz XBRGOIGPMNOZPU-CQSZACIVSA-N 0 3 323.387 3.180 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCCCN(CC=C)C2)cc1 ZINC001034276971 660731869 /nfs/dbraw/zinc/73/18/69/660731869.db2.gz UJYTUEPHZSUQKY-QGZVFWFLSA-N 0 3 314.429 3.022 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001034278510 660732240 /nfs/dbraw/zinc/73/22/40/660732240.db2.gz CRYLGYAPCJPREO-OAHLLOKOSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001034307625 660735279 /nfs/dbraw/zinc/73/52/79/660735279.db2.gz YDERPORAVIOLHM-AWEZNQCLSA-N 0 3 319.449 3.133 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001034307204 660735426 /nfs/dbraw/zinc/73/54/26/660735426.db2.gz LTYLNDUYCDSRSU-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001034312288 660735894 /nfs/dbraw/zinc/73/58/94/660735894.db2.gz PBQKBPBMPIVYNC-FUHWJXTLSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034319466 660736944 /nfs/dbraw/zinc/73/69/44/660736944.db2.gz FVNIMDVQWRFXRX-KRWDZBQOSA-N 0 3 315.461 3.167 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001034325864 660739651 /nfs/dbraw/zinc/73/96/51/660739651.db2.gz FENAACSRJZXMHI-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001034373466 660742829 /nfs/dbraw/zinc/74/28/29/660742829.db2.gz SMAWZSMCKZPVOL-SFHVURJKSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034365095 660744668 /nfs/dbraw/zinc/74/46/68/660744668.db2.gz PCZULZAHIOGBSO-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001034378067 660744932 /nfs/dbraw/zinc/74/49/32/660744932.db2.gz OYTKATFYNXOIFY-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034395085 660747588 /nfs/dbraw/zinc/74/75/88/660747588.db2.gz SKGCSKMVVNDARH-CABCVRRESA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001034423035 660747931 /nfs/dbraw/zinc/74/79/31/660747931.db2.gz GAYNYXIEUGSJOO-GVDBMIGSSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001034428815 660749622 /nfs/dbraw/zinc/74/96/22/660749622.db2.gz PLSVXQAYBIQSAY-KRWDZBQOSA-N 0 3 311.429 3.100 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001034431485 660752721 /nfs/dbraw/zinc/75/27/21/660752721.db2.gz LIKOCFXXMBBENP-LBPRGKRZSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001034508044 660763590 /nfs/dbraw/zinc/76/35/90/660763590.db2.gz NCBAXYFYHPNCEK-DAWZGUTISA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001034453502 660756218 /nfs/dbraw/zinc/75/62/18/660756218.db2.gz HLMJGAYAYJPLKJ-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034493006 660759169 /nfs/dbraw/zinc/75/91/69/660759169.db2.gz DTYVHCIXKLDURD-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001034509568 660763940 /nfs/dbraw/zinc/76/39/40/660763940.db2.gz YSEDLRIGLXQUMP-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001034508870 660763949 /nfs/dbraw/zinc/76/39/49/660763949.db2.gz QWFNKANFRNOKCH-NRXISQOPSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001034549152 660773307 /nfs/dbraw/zinc/77/33/07/660773307.db2.gz IRBRKUMHLKUNPK-HNNXBMFYSA-N 0 3 310.397 3.040 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001034513829 660765162 /nfs/dbraw/zinc/76/51/62/660765162.db2.gz DABAKGYRZBXVQF-MRXNPFEDSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001034536423 660769247 /nfs/dbraw/zinc/76/92/47/660769247.db2.gz FZSPMVDZVZGIKL-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001034540534 660770427 /nfs/dbraw/zinc/77/04/27/660770427.db2.gz IIJBWYSABGDKTA-QZTJIDSGSA-N 0 3 317.477 3.213 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001034540194 660770694 /nfs/dbraw/zinc/77/06/94/660770694.db2.gz GLPLGICMLLGMBO-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001034546051 660772116 /nfs/dbraw/zinc/77/21/16/660772116.db2.gz FEPAITBBTREZOB-HNNXBMFYSA-N 0 3 318.486 3.479 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001034554145 660773810 /nfs/dbraw/zinc/77/38/10/660773810.db2.gz ONBBVOVFUHKIFS-QGZVFWFLSA-N 0 3 312.457 3.183 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001034548695 660772826 /nfs/dbraw/zinc/77/28/26/660772826.db2.gz RTUWJGVVHLSTKW-BBRMVZONSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)c3ccccc3n2)CC1 ZINC001005593789 660781801 /nfs/dbraw/zinc/78/18/01/660781801.db2.gz VVAVWCXJLFTGSY-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC001005590453 660781812 /nfs/dbraw/zinc/78/18/12/660781812.db2.gz YZMAFYRQJVFCBJ-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(C)cc2Cl)CC1 ZINC001005605909 660782519 /nfs/dbraw/zinc/78/25/19/660782519.db2.gz KVDNOLWRFWYHDC-UHFFFAOYSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC001005711805 660792392 /nfs/dbraw/zinc/79/23/92/660792392.db2.gz RKIUFSKJYGEHBE-IBGZPJMESA-N 0 3 312.457 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccc(F)c(F)c1 ZINC001035013453 660808894 /nfs/dbraw/zinc/80/88/94/660808894.db2.gz CWYGDXRXTDLJAF-CQSZACIVSA-N 0 3 322.399 3.258 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC001005770103 660813435 /nfs/dbraw/zinc/81/34/35/660813435.db2.gz QXCAFQNEYZWUMP-ZWKOTPCHSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1=CCCCCC1)CC2 ZINC001035692705 660845204 /nfs/dbraw/zinc/84/52/04/660845204.db2.gz KPPQCUQZRCHEAR-UHFFFAOYSA-N 0 3 302.462 3.377 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccsc1)CC2 ZINC001035794184 660852834 /nfs/dbraw/zinc/85/28/34/660852834.db2.gz HDFGHFZAPDORMF-HNNXBMFYSA-N 0 3 318.486 3.352 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)C1CCCC1)CC2 ZINC001035724489 660847180 /nfs/dbraw/zinc/84/71/80/660847180.db2.gz ISIJLAWJYIHHTL-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)cc1 ZINC001035764382 660849495 /nfs/dbraw/zinc/84/94/95/660849495.db2.gz KYNIGNCBUPQKAP-UHFFFAOYSA-N 0 3 322.452 3.172 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C3CCC3)CCC1)CC2 ZINC001035759854 660849512 /nfs/dbraw/zinc/84/95/12/660849512.db2.gz KLCGFAMNFGRNQY-UHFFFAOYSA-N 0 3 316.489 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC1(C)C)CC2 ZINC001035771097 660850092 /nfs/dbraw/zinc/85/00/92/660850092.db2.gz PWROSXPDQRMLMO-INIZCTEOSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@@H]1C)CC2 ZINC001035781024 660851469 /nfs/dbraw/zinc/85/14/69/660851469.db2.gz LXZRRKXNHMJBKA-IRXDYDNUSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC13CCCC3)CC2 ZINC001035829121 660856735 /nfs/dbraw/zinc/85/67/35/660856735.db2.gz JUOSEJCAXKTFMH-MRXNPFEDSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1sccc1CC)CC2 ZINC001035858880 660860867 /nfs/dbraw/zinc/86/08/67/660860867.db2.gz NXZHOMVQLRLKCG-UHFFFAOYSA-N 0 3 318.486 3.425 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001005917977 660949417 /nfs/dbraw/zinc/94/94/17/660949417.db2.gz OYBVTCHZSSJIHY-UHFFFAOYSA-N 0 3 311.429 3.280 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)cccc2Cl)CC1 ZINC000948747148 660966952 /nfs/dbraw/zinc/96/69/52/660966952.db2.gz PSAGFLWJVBZMOI-HNNXBMFYSA-N 0 3 318.848 3.208 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001006061184 660960370 /nfs/dbraw/zinc/96/03/70/660960370.db2.gz RGCUWIAYQNCMBO-INIZCTEOSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncoc2C(C)(C)C)CC1 ZINC001006259629 660971677 /nfs/dbraw/zinc/97/16/77/660971677.db2.gz OLMGWPYIVSAIIR-UHFFFAOYSA-N 0 3 319.449 3.085 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C)cc2OC)CC1 ZINC001006301687 660973911 /nfs/dbraw/zinc/97/39/11/660973911.db2.gz BEYKEDLSUGAIJB-UHFFFAOYSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2OC(C)C)CC1 ZINC001006309791 660974156 /nfs/dbraw/zinc/97/41/56/660974156.db2.gz IFMCVZFTOMDIQY-UHFFFAOYSA-N 0 3 316.445 3.196 20 30 DGEDHN COc1ccc(N=NC2CN(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000793097687 661004854 /nfs/dbraw/zinc/00/48/54/661004854.db2.gz GFZWZSDYISMADR-SECBINFHSA-N 0 3 301.312 3.063 20 30 DGEDHN CCOC[C@H](NCc1cc(Cl)ccc1OCC#N)C(C)C ZINC000794599263 661092742 /nfs/dbraw/zinc/09/27/42/661092742.db2.gz FHJCPMBTZSSAGA-HNNXBMFYSA-N 0 3 310.825 3.393 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000795328843 661140546 /nfs/dbraw/zinc/14/05/46/661140546.db2.gz IXAVUEQDYACDTJ-MAUKXSAKSA-N 0 3 324.399 3.377 20 30 DGEDHN N#CC(C(=O)CCC1CCCCC1)C(=O)NCc1ccccc1 ZINC000049486384 655524451 /nfs/dbraw/zinc/52/44/51/655524451.db2.gz GSUHCCYASHNYAX-QGZVFWFLSA-N 0 3 312.413 3.372 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OCCC)c2)C[C@@H]1C ZINC000947365918 655525611 /nfs/dbraw/zinc/52/56/11/655525611.db2.gz WBYCHNCVSXWEMF-RDJZCZTQSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC000969139906 655527327 /nfs/dbraw/zinc/52/73/27/655527327.db2.gz UJHHVTNUKVSVRR-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC000969144664 655528050 /nfs/dbraw/zinc/52/80/50/655528050.db2.gz QQPKOGLLKKTRPI-KRWDZBQOSA-N 0 3 315.461 3.067 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000969156524 655529371 /nfs/dbraw/zinc/52/93/71/655529371.db2.gz VPMAOANTHIUBFB-GMNCBBECSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC000969162878 655529526 /nfs/dbraw/zinc/52/95/26/655529526.db2.gz ACKDVYNXDARACJ-QGZVFWFLSA-N 0 3 312.457 3.336 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000969564002 655550743 /nfs/dbraw/zinc/55/07/43/655550743.db2.gz JPUDENOOBNWHPH-MRXNPFEDSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000969577232 655551187 /nfs/dbraw/zinc/55/11/87/655551187.db2.gz WZDACPLKYXULAF-OAHLLOKOSA-N 0 3 312.413 3.336 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC000969719360 655555661 /nfs/dbraw/zinc/55/56/61/655555661.db2.gz CFTVJLZXZHZPGZ-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3occc3s2)C1 ZINC001020573548 655555799 /nfs/dbraw/zinc/55/57/99/655555799.db2.gz ULTBRLDBTXSVHN-MGCOHNPYSA-N 0 3 310.806 3.097 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001020758799 655574358 /nfs/dbraw/zinc/57/43/58/655574358.db2.gz CVCUNLOFXRLQKV-KBRIMQKVSA-N 0 3 320.864 3.342 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001021023465 655587059 /nfs/dbraw/zinc/58/70/59/655587059.db2.gz GJMUAMSZHVBZSY-HAQNSBGRSA-N 0 3 324.877 3.230 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)cc1 ZINC000970252791 655590444 /nfs/dbraw/zinc/59/04/44/655590444.db2.gz IGJAEYSQMHMAEC-MRXNPFEDSA-N 0 3 322.452 3.218 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000970252577 655590499 /nfs/dbraw/zinc/59/04/99/655590499.db2.gz YNQRDPFHYXDPMA-CQSZACIVSA-N 0 3 311.429 3.103 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)c3ccccc23)C1 ZINC000970496523 655602963 /nfs/dbraw/zinc/60/29/63/655602963.db2.gz NPYUXIDPWZEUOZ-INIZCTEOSA-N 0 3 320.436 3.222 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C(C)C)oc2C)C1 ZINC000970669397 655611872 /nfs/dbraw/zinc/61/18/72/655611872.db2.gz UNHSFVVZFSDXQU-ZDUSSCGKSA-N 0 3 304.434 3.338 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc(C)cs2)C1 ZINC001039199505 655612060 /nfs/dbraw/zinc/61/20/60/655612060.db2.gz BHLKFLGKFYQNGP-HZPDHXFCSA-N 0 3 316.470 3.006 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000970752747 655617286 /nfs/dbraw/zinc/61/72/86/655617286.db2.gz WEGYBMTZEAOZDE-OAHLLOKOSA-N 0 3 310.441 3.272 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC000970779440 655619680 /nfs/dbraw/zinc/61/96/80/655619680.db2.gz NIXMBALJQMXHTI-OAHLLOKOSA-N 0 3 300.446 3.436 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCC(C3CC3)CC2)C1 ZINC000970824408 655626796 /nfs/dbraw/zinc/62/67/96/655626796.db2.gz UTMLNMPPYKJLNB-OOHWJJMZSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)nc3ccccc32)C1 ZINC000970838363 655628684 /nfs/dbraw/zinc/62/86/84/655628684.db2.gz KLROJSNVZQMREH-HNNXBMFYSA-N 0 3 323.440 3.169 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C(C)=C2CCCC2)C1 ZINC001021556768 655631295 /nfs/dbraw/zinc/63/12/95/655631295.db2.gz BBINLZCZRCBZAL-RTBURBONSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C(F)=C2CCCC2)C1 ZINC001021564482 655633341 /nfs/dbraw/zinc/63/33/41/655633341.db2.gz YWXFYRYJYJQVIX-DLBZAZTESA-N 0 3 318.436 3.120 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C(F)=C2CCCC2)C1 ZINC001021564485 655633395 /nfs/dbraw/zinc/63/33/95/655633395.db2.gz YWXFYRYJYJQVIX-SJORKVTESA-N 0 3 318.436 3.120 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C(F)=C2CCCC2)C1 ZINC001021564484 655633458 /nfs/dbraw/zinc/63/34/58/655633458.db2.gz YWXFYRYJYJQVIX-IRXDYDNUSA-N 0 3 318.436 3.120 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2(C)CCCC2)C1 ZINC001021577464 655635880 /nfs/dbraw/zinc/63/58/80/655635880.db2.gz GUJFJKJNNYXHJS-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC000970941364 655640527 /nfs/dbraw/zinc/64/05/27/655640527.db2.gz NKNSHAJBBOTCDA-YMTQGWHGSA-N 0 3 324.468 3.121 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000970953667 655642213 /nfs/dbraw/zinc/64/22/13/655642213.db2.gz HYIXQCMZENJZCP-FTXHTYHOSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CCCCCCC2)C1 ZINC001021631767 655646121 /nfs/dbraw/zinc/64/61/21/655646121.db2.gz ZXJDPRAHSGIOJO-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971091914 655659809 /nfs/dbraw/zinc/65/98/09/655659809.db2.gz LCOZNDUHTHVTPZ-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C(C)C)c2)C1 ZINC001021708868 655660297 /nfs/dbraw/zinc/66/02/97/655660297.db2.gz HEEJNSIOOHMIGW-PMACEKPBSA-N 0 3 324.468 3.370 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1csc2ccccc21 ZINC000926126139 655668528 /nfs/dbraw/zinc/66/85/28/655668528.db2.gz IGLQMEOVBBRMQR-LBPRGKRZSA-N 0 3 309.456 3.153 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000971640203 655715176 /nfs/dbraw/zinc/71/51/76/655715176.db2.gz CXBOSPKMRONWNW-IBGZPJMESA-N 0 3 321.424 3.081 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(CCCC)cc2)C1 ZINC000971877388 655740992 /nfs/dbraw/zinc/74/09/92/655740992.db2.gz AYGKMXKJHJMDGN-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccs1 ZINC001039468592 655744514 /nfs/dbraw/zinc/74/45/14/655744514.db2.gz VQSRPAWSSITWEB-CVEARBPZSA-N 0 3 318.486 3.322 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)s1 ZINC001039478793 655749093 /nfs/dbraw/zinc/74/90/93/655749093.db2.gz ZZZKOFBRJNEBCJ-CVEARBPZSA-N 0 3 318.486 3.240 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC000971952460 655750597 /nfs/dbraw/zinc/75/05/97/655750597.db2.gz JWOPXIJJNKWKTL-CJNGLKHVSA-N 0 3 318.848 3.089 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC000972021743 655754789 /nfs/dbraw/zinc/75/47/89/655754789.db2.gz BHXKTDQQYWOBGE-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972082049 655763508 /nfs/dbraw/zinc/76/35/08/655763508.db2.gz LJXLAKGDYFUAJB-MRXNPFEDSA-N 0 3 304.409 3.071 20 30 DGEDHN N#CCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000051533647 655770740 /nfs/dbraw/zinc/77/07/40/655770740.db2.gz DUKZTOXTLWIGOM-LBPRGKRZSA-N 0 3 313.407 3.243 20 30 DGEDHN N#CC(C(=O)CCc1ccc(Cl)s1)C(=O)NC1CCCC1 ZINC000051654554 655775978 /nfs/dbraw/zinc/77/59/78/655775978.db2.gz UPKROKNVBIQMHL-GFCCVEGCSA-N 0 3 324.833 3.102 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC000972310443 655787709 /nfs/dbraw/zinc/78/77/09/655787709.db2.gz FMRITMSTLLVSJT-APWZRJJASA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000972347915 655791166 /nfs/dbraw/zinc/79/11/66/655791166.db2.gz CBWLGDASISXBNS-QGZVFWFLSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C[C@@H]1C ZINC000947520602 655799332 /nfs/dbraw/zinc/79/93/32/655799332.db2.gz PUNFOWAFCLGIAC-AAEUAGOBSA-N 0 3 310.800 3.248 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001022989268 655806897 /nfs/dbraw/zinc/80/68/97/655806897.db2.gz CONHWIGWYYXZSX-BMFZPTHFSA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3c(s2)CCCC3)C1 ZINC001023055323 655811256 /nfs/dbraw/zinc/81/12/56/655811256.db2.gz ZUNYEVDZDCWRES-BETUJISGSA-N 0 3 324.877 3.230 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)oc3ccccc32)C1 ZINC001023391042 655830999 /nfs/dbraw/zinc/83/09/99/655830999.db2.gz WJRMBZZZLOQGOL-INIZCTEOSA-N 0 3 324.424 3.206 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001023476264 655835821 /nfs/dbraw/zinc/83/58/21/655835821.db2.gz KPOZUWKPDPLVIA-SFHVURJKSA-N 0 3 312.457 3.104 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001023508632 655838734 /nfs/dbraw/zinc/83/87/34/655838734.db2.gz RDHWBOSDEKJZPN-KRWDZBQOSA-N 0 3 324.468 3.338 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001023608724 655847554 /nfs/dbraw/zinc/84/75/54/655847554.db2.gz DTEXLPUHQRGWGF-INIZCTEOSA-N 0 3 322.408 3.022 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001023685023 655854767 /nfs/dbraw/zinc/85/47/67/655854767.db2.gz BKLXCUVLFMUPLH-QGZVFWFLSA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC001023725869 655858142 /nfs/dbraw/zinc/85/81/42/655858142.db2.gz STFUOGVXAOUBCY-QGZVFWFLSA-N 0 3 324.468 3.419 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001023736810 655860357 /nfs/dbraw/zinc/86/03/57/655860357.db2.gz JLDGAEZFJDATAH-XBMUEBEBSA-N 0 3 318.505 3.444 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001023763095 655862734 /nfs/dbraw/zinc/86/27/34/655862734.db2.gz CPJQEIYGFQCJJX-IAGOWNOFSA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2sccc2C(C)C)C1 ZINC001023763467 655862742 /nfs/dbraw/zinc/86/27/42/655862742.db2.gz OELOLSNJCQWNPL-HNNXBMFYSA-N 0 3 318.486 3.337 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001023767912 655863690 /nfs/dbraw/zinc/86/36/90/655863690.db2.gz LASQUCPGEAQFIJ-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001023768344 655863810 /nfs/dbraw/zinc/86/38/10/655863810.db2.gz PZESDZMJWNKASM-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000972685422 655865298 /nfs/dbraw/zinc/86/52/98/655865298.db2.gz VYKPXYOCTLZYMO-GOSISDBHSA-N 0 3 310.397 3.279 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2Cl)C1 ZINC000972724017 655873905 /nfs/dbraw/zinc/87/39/05/655873905.db2.gz OPAZIGPTTWWRCU-CQSZACIVSA-N 0 3 306.837 3.289 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000972790778 655882599 /nfs/dbraw/zinc/88/25/99/655882599.db2.gz ZHOMEXZZBSFPPU-AWEZNQCLSA-N 0 3 312.335 3.038 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001024448680 655906000 /nfs/dbraw/zinc/90/60/00/655906000.db2.gz VHIFRFXIZVGXBY-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001024559064 655916675 /nfs/dbraw/zinc/91/66/75/655916675.db2.gz RMUHLRDZCDFZNU-OAHLLOKOSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001024649221 655927840 /nfs/dbraw/zinc/92/78/40/655927840.db2.gz RKMJANSRMPFWBX-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001024676761 655929396 /nfs/dbraw/zinc/92/93/96/655929396.db2.gz YHSPHAZDUNMZIV-INIZCTEOSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001024682319 655929733 /nfs/dbraw/zinc/92/97/33/655929733.db2.gz ZAYVJDDMLLRHTO-KRWDZBQOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1scnc1C1CC1 ZINC001024696095 655931390 /nfs/dbraw/zinc/93/13/90/655931390.db2.gz FIUSJHYBFWLECR-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001024694206 655931718 /nfs/dbraw/zinc/93/17/18/655931718.db2.gz DYSNIPVMCQFXST-GSEOLPGOSA-N 0 3 324.468 3.119 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001024781257 655938645 /nfs/dbraw/zinc/93/86/45/655938645.db2.gz OPPIMRNCSSOMIV-LBPRGKRZSA-N 0 3 312.360 3.378 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024790161 655939423 /nfs/dbraw/zinc/93/94/23/655939423.db2.gz AHYCMSFETHSKHX-INIZCTEOSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001024791100 655939911 /nfs/dbraw/zinc/93/99/11/655939911.db2.gz UWIVZDQLNJFTEW-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C/C=C(/C)C(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024918012 655949552 /nfs/dbraw/zinc/94/95/52/655949552.db2.gz BYNXJSHVMYVZRB-CRAFIKPXSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001025070089 655963439 /nfs/dbraw/zinc/96/34/39/655963439.db2.gz UKSSUJCSHPRZBP-HKUYNNGSSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001025069831 655963631 /nfs/dbraw/zinc/96/36/31/655963631.db2.gz QGEVVTLZVWTOCH-RHSMWYFYSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001025069833 655963685 /nfs/dbraw/zinc/96/36/85/655963685.db2.gz QGEVVTLZVWTOCH-YOEHRIQHSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001025070415 655963937 /nfs/dbraw/zinc/96/39/37/655963937.db2.gz YNDFOXTXKKYIMW-HKUYNNGSSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001025194761 655976206 /nfs/dbraw/zinc/97/62/06/655976206.db2.gz FUOBCXDXCZYWOI-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196749 655976929 /nfs/dbraw/zinc/97/69/29/655976929.db2.gz ZUMGDEGWEVEOMH-OALUTQOASA-N 0 3 310.441 3.087 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025220613 655980509 /nfs/dbraw/zinc/98/05/09/655980509.db2.gz IGPRRHXDJIDFFJ-CVEARBPZSA-N 0 3 306.425 3.119 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC001025218481 655980589 /nfs/dbraw/zinc/98/05/89/655980589.db2.gz NJDOKAVKLGXAKT-MOPGFXCFSA-N 0 3 314.473 3.356 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001025227511 655981609 /nfs/dbraw/zinc/98/16/09/655981609.db2.gz QGZWCRXMFYFUPR-QZTJIDSGSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC(C)(C)C1 ZINC001025227720 655981986 /nfs/dbraw/zinc/98/19/86/655981986.db2.gz BBUHEEFNYWZGNS-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(CC)o1 ZINC001025244044 655983820 /nfs/dbraw/zinc/98/38/20/655983820.db2.gz GKMFTAKELGVSPG-SJORKVTESA-N 0 3 316.445 3.487 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#CC ZINC001025257675 655984785 /nfs/dbraw/zinc/98/47/85/655984785.db2.gz GBLYRTDAPIPXMZ-ROUUACIJSA-N 0 3 316.489 3.458 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025259067 655984972 /nfs/dbraw/zinc/98/49/72/655984972.db2.gz KQWOSXMNNVABOT-SJORKVTESA-N 0 3 314.429 3.070 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1csc(C)n1 ZINC001025258237 655985002 /nfs/dbraw/zinc/98/50/02/655985002.db2.gz DWFHCEUPMOVJAG-JKSUJKDBSA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025253194 655985344 /nfs/dbraw/zinc/98/53/44/655985344.db2.gz UMNMZMPWVWLIAA-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1CC ZINC001025264822 655986220 /nfs/dbraw/zinc/98/62/20/655986220.db2.gz BRNIUEPDGXMQCS-SJORKVTESA-N 0 3 316.445 3.487 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025292895 655989230 /nfs/dbraw/zinc/98/92/30/655989230.db2.gz 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C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001028027224 656618245 /nfs/dbraw/zinc/61/82/45/656618245.db2.gz HXCGZHOLDGCYCJ-MRXNPFEDSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049436128 656620144 /nfs/dbraw/zinc/62/01/44/656620144.db2.gz AFYMWJHRQLPVRT-KBPBESRZSA-N 0 3 308.809 3.188 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001028029657 656622627 /nfs/dbraw/zinc/62/26/27/656622627.db2.gz JBICSPCCJXSWNY-CJNGLKHVSA-N 0 3 318.848 3.136 20 30 DGEDHN Cc1cc(C)c(CN2CCCN(C(=O)C#CC3CC3)CC2)c(C)c1 ZINC000981114202 656623318 /nfs/dbraw/zinc/62/33/18/656623318.db2.gz ZQHOCFPYBWRWAH-UHFFFAOYSA-N 0 3 324.468 3.060 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)c(F)cc1F ZINC001049542856 656637883 /nfs/dbraw/zinc/63/78/83/656637883.db2.gz YNTAIEBFUGIAHU-SJORKVTESA-N 0 3 320.383 3.138 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC=CCCC1 ZINC001049546209 656638522 /nfs/dbraw/zinc/63/85/22/656638522.db2.gz 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C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)no1 ZINC001049767117 656684092 /nfs/dbraw/zinc/68/40/92/656684092.db2.gz NRLLRNBYHUFEOE-HOTGVXAUSA-N 0 3 317.433 3.053 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3(CC)CCCCC3)C2)C1 ZINC001041842706 656684760 /nfs/dbraw/zinc/68/47/60/656684760.db2.gz ASHLEDKWLREDTQ-IBGZPJMESA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3CCC(C)(C)CC3)C2)C1 ZINC001041850619 656686425 /nfs/dbraw/zinc/68/64/25/656686425.db2.gz LFJFVRDYMSHHLT-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCC3(C)C)C2)C1 ZINC001041849784 656686868 /nfs/dbraw/zinc/68/68/68/656686868.db2.gz ALXWVLBXAULXGC-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1oc(CC)cc1C ZINC001049847438 656697256 /nfs/dbraw/zinc/69/72/56/656697256.db2.gz XBXBOQUQXXRLJW-IAGOWNOFSA-N 0 3 316.445 3.405 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2ccccc2n1 ZINC001049860607 656702047 /nfs/dbraw/zinc/70/20/47/656702047.db2.gz 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C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(c2ccccc2C)CC1 ZINC001049927810 656725640 /nfs/dbraw/zinc/72/56/40/656725640.db2.gz NVFOBBDKKAKAAK-RTBURBONSA-N 0 3 324.468 3.278 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(c2ccccc2)C1 ZINC001049926901 656725724 /nfs/dbraw/zinc/72/57/24/656725724.db2.gz SNLDOMPEWHRTMD-TUNPWDSISA-N 0 3 324.468 3.432 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001049935796 656727416 /nfs/dbraw/zinc/72/74/16/656727416.db2.gz HACINXIMWBTPFF-HUUCEWRRSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001049935794 656727936 /nfs/dbraw/zinc/72/79/36/656727936.db2.gz HACINXIMWBTPFF-CABCVRRESA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@@H]21 ZINC001042156476 656728359 /nfs/dbraw/zinc/72/83/59/656728359.db2.gz JHRNSXFMJMTFSM-YOEHRIQHSA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)C[C@@H]21 ZINC001042178477 656730345 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CC#CCN1CCC[C@@H](NC(=O)c2ccccc2C2(C)CC2)CC1 ZINC001052702294 656751248 /nfs/dbraw/zinc/75/12/48/656751248.db2.gz MBAFEECXAQAXJK-QGZVFWFLSA-N 0 3 324.468 3.346 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@@H]21 ZINC001042317863 656751353 /nfs/dbraw/zinc/75/13/53/656751353.db2.gz COERHPOGWAHAKI-TVFCKZIOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)CCC=C4)C[C@@H]21 ZINC001042316668 656751916 /nfs/dbraw/zinc/75/19/16/656751916.db2.gz QNMLJBKTWXMVIL-XLIONFOSSA-N 0 3 322.452 3.368 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC001042321515 656752261 /nfs/dbraw/zinc/75/22/61/656752261.db2.gz FXUVVVAAZBIHSJ-CJNGLKHVSA-N 0 3 304.821 3.062 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3Cl)C[C@@H]21 ZINC001042328137 656754140 /nfs/dbraw/zinc/75/41/40/656754140.db2.gz SAVMVOSHBBJJKD-BBRMVZONSA-N 0 3 304.821 3.062 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3F)C[C@H]21 ZINC001042337580 656756974 /nfs/dbraw/zinc/75/69/74/656756974.db2.gz FKCUYVAOGKQNJK-CXAGYDPISA-N 0 3 320.383 3.077 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C[C@@H]21 ZINC001042341375 656760071 /nfs/dbraw/zinc/76/00/71/656760071.db2.gz MZTHKYZZZNEHGK-MSOLQXFVSA-N 0 3 312.457 3.334 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc([C@@H]4C[C@H]4C)o3)C2)C1 ZINC000981765126 656763679 /nfs/dbraw/zinc/76/36/79/656763679.db2.gz QRCLFSHGXPNGSL-HUUCEWRRSA-N 0 3 314.429 3.127 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)c(F)c(C)c3)C[C@H]21 ZINC001042359835 656763779 /nfs/dbraw/zinc/76/37/79/656763779.db2.gz JHVVXPXCFZAANN-NVXWUHKLSA-N 0 3 316.420 3.165 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]21 ZINC001042363146 656764982 /nfs/dbraw/zinc/76/49/82/656764982.db2.gz OTPJLZWZMVQXTD-MJGOQNOKSA-N 0 3 310.441 3.286 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC001052783184 656767925 /nfs/dbraw/zinc/76/79/25/656767925.db2.gz BCPRYSVQQGEBLZ-HXUWFJFHSA-N 0 3 322.452 3.254 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC001052860903 656777396 /nfs/dbraw/zinc/77/73/96/656777396.db2.gz ZUKMFNUROJDNRL-HOTGVXAUSA-N 0 3 318.486 3.154 20 30 DGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1cc2occc2s1 ZINC001028131824 656779949 /nfs/dbraw/zinc/77/99/49/656779949.db2.gz CIMIBNPJZXKOFF-GFCCVEGCSA-N 0 3 304.415 3.265 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001052877721 656780344 /nfs/dbraw/zinc/78/03/44/656780344.db2.gz UADMRXWYMPOECW-IEBWSBKVSA-N 0 3 312.457 3.093 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)CC1 ZINC001052891519 656784554 /nfs/dbraw/zinc/78/45/54/656784554.db2.gz VNZWZOVKVFNVBZ-FQEVSTJZSA-N 0 3 320.436 3.447 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001028141729 656787372 /nfs/dbraw/zinc/78/73/72/656787372.db2.gz OYFVMVTVUNSJPO-INIZCTEOSA-N 0 3 315.461 3.284 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc3ccccc32)CC1 ZINC001052906855 656788001 /nfs/dbraw/zinc/78/80/01/656788001.db2.gz HCSOFSMYOMYLSI-QGZVFWFLSA-N 0 3 306.409 3.057 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)CC1 ZINC001052912453 656788500 /nfs/dbraw/zinc/78/85/00/656788500.db2.gz CEMPPFCTVXPOBT-INIZCTEOSA-N 0 3 310.397 3.040 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2sccc2C(C)C)CC1 ZINC001052955261 656797394 /nfs/dbraw/zinc/79/73/94/656797394.db2.gz BMXPQUGMBHIWDV-OAHLLOKOSA-N 0 3 318.486 3.479 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028160523 656819504 /nfs/dbraw/zinc/81/95/04/656819504.db2.gz VVNQHYCRUYOGDC-HNNXBMFYSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccco2)C1 ZINC001053062255 656836421 /nfs/dbraw/zinc/83/64/21/656836421.db2.gz XNDZKXBPUKYTTI-DLBZAZTESA-N 0 3 314.429 3.010 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccoc2)C1 ZINC001053067710 656840847 /nfs/dbraw/zinc/84/08/47/656840847.db2.gz HZTCJGGYRWSADG-AEFFLSMTSA-N 0 3 314.429 3.010 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001053067447 656841562 /nfs/dbraw/zinc/84/15/62/656841562.db2.gz GZBZXWXWEXSPJL-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001053072322 656844273 /nfs/dbraw/zinc/84/42/73/656844273.db2.gz QANJOIWGOYMAOC-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC=CC2)C1 ZINC001053078233 656847292 /nfs/dbraw/zinc/84/72/92/656847292.db2.gz PLQJTFDJDPTTHL-OALUTQOASA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC=CC2)C1 ZINC001053078234 656847555 /nfs/dbraw/zinc/84/75/55/656847555.db2.gz PLQJTFDJDPTTHL-RBUKOAKNSA-N 0 3 314.473 3.069 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccccc3C3(C)CC3)C2)C1 ZINC000982008322 656857547 /nfs/dbraw/zinc/85/75/47/656857547.db2.gz FENRWICDECFRTK-UHFFFAOYSA-N 0 3 324.468 3.462 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001028209004 656868195 /nfs/dbraw/zinc/86/81/95/656868195.db2.gz CBCJHWWUQPHEQE-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(Cl)c(F)c3)C2)C1 ZINC000982033499 656870047 /nfs/dbraw/zinc/87/00/47/656870047.db2.gz AYUIQBBDNIYMDA-UHFFFAOYSA-N 0 3 322.811 3.203 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1CC(C)C1 ZINC001054036228 656887920 /nfs/dbraw/zinc/88/79/20/656887920.db2.gz FLVKSVIPXCBYMS-XUJQIHCRSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001054036038 656888847 /nfs/dbraw/zinc/88/88/47/656888847.db2.gz AMTOAYDSXIKDJC-GOSISDBHSA-N 0 3 323.440 3.056 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[C@H]3CC)C2)C1 ZINC000982098305 656892983 /nfs/dbraw/zinc/89/29/83/656892983.db2.gz QVXQCUMVGNNBOP-IAGOWNOFSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054050313 656893238 /nfs/dbraw/zinc/89/32/38/656893238.db2.gz YGQQCNSBHOTQBI-ATZDWAIDSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C)c(CC)s3)C2)C1 ZINC000982141241 656904163 /nfs/dbraw/zinc/90/41/63/656904163.db2.gz VFMMCMHUBFNCNU-UHFFFAOYSA-N 0 3 318.486 3.343 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccoc3C(C)C)C2)C1 ZINC000982169239 656910379 /nfs/dbraw/zinc/91/03/79/656910379.db2.gz VNMNDLJBOXCHKY-UHFFFAOYSA-N 0 3 302.418 3.127 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C1CCCC1)C2 ZINC001054146587 656919908 /nfs/dbraw/zinc/91/99/08/656919908.db2.gz NASWXFCHNHMDSM-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C=C3CCCCC3)C[C@]2(C)C1 ZINC000982226666 656920648 /nfs/dbraw/zinc/92/06/48/656920648.db2.gz NVPBLJIJSOOUQG-BGYRXZFFSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3CCCCCC3)C[C@]2(C)C1 ZINC000982231482 656921788 /nfs/dbraw/zinc/92/17/88/656921788.db2.gz NQIWSMVFTIZRKS-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC=CCC1)C2 ZINC001054177185 656925855 /nfs/dbraw/zinc/92/58/55/656925855.db2.gz ZTKOZOLVAZGZDE-AZUAARDMSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)c1ccccc1C)C2 ZINC001054243780 656946133 /nfs/dbraw/zinc/94/61/33/656946133.db2.gz NWXQHEIZXUBXKI-WIYYLYMNSA-N 0 3 324.468 3.046 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3ccccc3O)cc2C1 ZINC001054254939 656951988 /nfs/dbraw/zinc/95/19/88/656951988.db2.gz PWQWRVYBKYSEMI-UHFFFAOYSA-N 0 3 322.408 3.214 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3cnccc3C)cc2C1 ZINC001054260296 656953093 /nfs/dbraw/zinc/95/30/93/656953093.db2.gz ITQVHUYREJPRMC-UHFFFAOYSA-N 0 3 321.424 3.212 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001038991363 656955375 /nfs/dbraw/zinc/95/53/75/656955375.db2.gz INUOULBLCWEUHV-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)c3ccn(C)c3C)cc2C1 ZINC001054280956 656961178 /nfs/dbraw/zinc/96/11/78/656961178.db2.gz YPYJPJPBFZZAGW-UHFFFAOYSA-N 0 3 323.440 3.155 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001028291971 656975893 /nfs/dbraw/zinc/97/58/93/656975893.db2.gz KNGOHBHTZYNQRB-DAWZGUTISA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(CCC)c(C)s1 ZINC001028304318 656988363 /nfs/dbraw/zinc/98/83/63/656988363.db2.gz RPWPRGIXPBCICB-MRXNPFEDSA-N 0 3 318.486 3.227 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001028357771 657006100 /nfs/dbraw/zinc/00/61/00/657006100.db2.gz KHEUNTWEQVBGCY-HXUWFJFHSA-N 0 3 322.452 3.471 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001028358287 657006832 /nfs/dbraw/zinc/00/68/32/657006832.db2.gz USIBAYNFQOYCIT-MRXNPFEDSA-N 0 3 320.383 3.016 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC001045495996 657029621 /nfs/dbraw/zinc/02/96/21/657029621.db2.gz MMPFTFBDWOTLNT-JKSUJKDBSA-N 0 3 304.478 3.382 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001045495995 657029661 /nfs/dbraw/zinc/02/96/61/657029661.db2.gz MMPFTFBDWOTLNT-HZPDHXFCSA-N 0 3 304.478 3.382 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC001045496538 657029680 /nfs/dbraw/zinc/02/96/80/657029680.db2.gz XHUHHIZVIUZCEM-DLBZAZTESA-N 0 3 316.489 3.219 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cccn2C2CCCC2)CC1 ZINC001045600353 657041984 /nfs/dbraw/zinc/04/19/84/657041984.db2.gz QKWDUSXVLOTYRP-UHFFFAOYSA-N 0 3 315.461 3.374 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CC1 ZINC001045634020 657046332 /nfs/dbraw/zinc/04/63/32/657046332.db2.gz SDDALOSBOLFKMP-MRXNPFEDSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2csc3c2CCCC3)CC1 ZINC001045634874 657047206 /nfs/dbraw/zinc/04/72/06/657047206.db2.gz GYYMHYQFLHADNB-UHFFFAOYSA-N 0 3 318.486 3.397 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2c[nH]c3ccc(C)cc23)CC1 ZINC001045646168 657048834 /nfs/dbraw/zinc/04/88/34/657048834.db2.gz AHMOGLOGXIKMAM-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=Cc1ccc(C(=O)N2C[C@@]3(C)CN(CC#CC)C[C@@]3(C)C2)cc1 ZINC000982590468 657057331 /nfs/dbraw/zinc/05/73/31/657057331.db2.gz HQJAEDJECPAINA-OYRHEFFESA-N 0 3 322.452 3.137 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ccc(C)cc3C)C[C@]2(C)C1 ZINC000982771761 657086864 /nfs/dbraw/zinc/08/68/64/657086864.db2.gz AZROHICQWHLWTI-OYRHEFFESA-N 0 3 324.468 3.111 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC000982842188 657102283 /nfs/dbraw/zinc/10/22/83/657102283.db2.gz LMZBXMRXNCZWCN-FFZOFVMBSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)C(C)(C)C)C2 ZINC001045948285 657102926 /nfs/dbraw/zinc/10/29/26/657102926.db2.gz XAUNRUMRWQUFGM-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1CC(C)(C)C1)C2 ZINC001045960046 657105656 /nfs/dbraw/zinc/10/56/56/657105656.db2.gz AECNJQGWXVVFMG-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC001000246652 657106222 /nfs/dbraw/zinc/10/62/22/657106222.db2.gz CMAZLASIYHAVKA-SJLPKXTDSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@]1(C)C=CCC1)C2 ZINC001045959292 657106236 /nfs/dbraw/zinc/10/62/36/657106236.db2.gz MLSVRXJHDWZXEI-UXHICEINSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(C)CCCCC1)C2 ZINC001045962831 657106913 /nfs/dbraw/zinc/10/69/13/657106913.db2.gz RMVZXFHLSFCJOE-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1CC(C)C)C2 ZINC001045970365 657110674 /nfs/dbraw/zinc/11/06/74/657110674.db2.gz FXNNZPCCMNPBHN-QWFCFKBJSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC001000341343 657115308 /nfs/dbraw/zinc/11/53/08/657115308.db2.gz PVFHSQNVLDSOGV-HOTGVXAUSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001028694345 657146040 /nfs/dbraw/zinc/14/60/40/657146040.db2.gz MMAYQSBAUYCAFZ-QGZVFWFLSA-N 0 3 324.468 3.419 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc3ccccc3nc2C)C1 ZINC001046360894 657152688 /nfs/dbraw/zinc/15/26/88/657152688.db2.gz YNFOYTQYNYPBJN-FQEVSTJZSA-N 0 3 323.440 3.314 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001046360682 657153213 /nfs/dbraw/zinc/15/32/13/657153213.db2.gz CCBWEXMFUKNNJW-FQEVSTJZSA-N 0 3 310.441 3.172 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001046414048 657158816 /nfs/dbraw/zinc/15/88/16/657158816.db2.gz DLYDHHLRUXMITE-KRWDZBQOSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2CCc3ccccc3CC2)CC1 ZINC001000878184 657160708 /nfs/dbraw/zinc/16/07/08/657160708.db2.gz GWHYXDVWPRZZCI-UHFFFAOYSA-N 0 3 324.468 3.116 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2coc3cc(F)ccc23)C1 ZINC001046436371 657161298 /nfs/dbraw/zinc/16/12/98/657161298.db2.gz PDXJWMGWOXEGBG-GOSISDBHSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001046450353 657161862 /nfs/dbraw/zinc/16/18/62/657161862.db2.gz SXUBGUCTPGSNTB-IBGZPJMESA-N 0 3 316.445 3.082 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnc3ccccc3c2C)C1 ZINC001046500189 657169700 /nfs/dbraw/zinc/16/97/00/657169700.db2.gz YMFMGMLONOUQOA-HXUWFJFHSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2nc3ccccc3cc2C)C1 ZINC001046495544 657169925 /nfs/dbraw/zinc/16/99/25/657169925.db2.gz HBECYLNWVNRTAT-FQEVSTJZSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001046599459 657186724 /nfs/dbraw/zinc/18/67/24/657186724.db2.gz XTUJKTNLBTUHFV-KRWDZBQOSA-N 0 3 306.837 3.419 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(F)c3ccccc23)C1 ZINC001028819073 657191204 /nfs/dbraw/zinc/19/12/04/657191204.db2.gz HXBHZYNJFQDLID-OAHLLOKOSA-N 0 3 324.399 3.054 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001046688190 657203348 /nfs/dbraw/zinc/20/33/48/657203348.db2.gz NWWDOOWFMVEDRT-QKNQBKEWSA-N 0 3 324.468 3.011 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001046694819 657205173 /nfs/dbraw/zinc/20/51/73/657205173.db2.gz KDSIABAGNJQZQZ-LZLYRXPVSA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)c2cccc3ccsc32)C1 ZINC001046755072 657213383 /nfs/dbraw/zinc/21/33/83/657213383.db2.gz VUWHTOBVILSGGT-QGZVFWFLSA-N 0 3 300.427 3.282 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)c2ccc(Cl)c3occc32)C1 ZINC001046764995 657213952 /nfs/dbraw/zinc/21/39/52/657213952.db2.gz KOTRRPJINBEDKS-KRWDZBQOSA-N 0 3 318.804 3.466 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2c(F)cccc2Cl)CC1 ZINC001001399914 657215537 /nfs/dbraw/zinc/21/55/37/657215537.db2.gz SOFUZQGMUMXAGZ-UHFFFAOYSA-N 0 3 308.784 3.027 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001046808805 657224954 /nfs/dbraw/zinc/22/49/54/657224954.db2.gz ATYDLPAVYMINQL-FAFZWHIHSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc(C(C)(F)F)cc2)CC1 ZINC001001498696 657228175 /nfs/dbraw/zinc/22/81/75/657228175.db2.gz YFLISPUTHHRVDG-UHFFFAOYSA-N 0 3 320.383 3.346 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046817449 657228195 /nfs/dbraw/zinc/22/81/95/657228195.db2.gz ZJYHLKAQKPPCHI-KRWDZBQOSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001046818324 657228439 /nfs/dbraw/zinc/22/84/39/657228439.db2.gz RHEMDDOPNFTTBN-INIZCTEOSA-N 0 3 310.800 3.249 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001046825621 657230543 /nfs/dbraw/zinc/23/05/43/657230543.db2.gz ZGYWXWMBXQELID-HXUWFJFHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001046827003 657231957 /nfs/dbraw/zinc/23/19/57/657231957.db2.gz JFAQVBQMPUTDHA-KRWDZBQOSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCCN1CC[C@](C)(NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001046831193 657233031 /nfs/dbraw/zinc/23/30/31/657233031.db2.gz HHFLUPJPJGJBTJ-KRWDZBQOSA-N 0 3 321.490 3.345 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001046856104 657237426 /nfs/dbraw/zinc/23/74/26/657237426.db2.gz QAFUSXMXYPGPPF-JXFKEZNVSA-N 0 3 312.457 3.418 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001050047753 657241661 /nfs/dbraw/zinc/24/16/61/657241661.db2.gz PTFMVGDGTWDMMH-YESZJQIVSA-N 0 3 302.462 3.066 20 30 DGEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2ccsc2)C1 ZINC001046915891 657246135 /nfs/dbraw/zinc/24/61/35/657246135.db2.gz DZFFCVQMZXWMTG-CYBMUJFWSA-N 0 3 314.401 3.011 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001050152475 657260867 /nfs/dbraw/zinc/26/08/67/657260867.db2.gz QTZVIWULQAOLEL-NZSAHSFTSA-N 0 3 312.457 3.207 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)CC3CCCC3)[C@@H]2C1 ZINC001050156528 657262471 /nfs/dbraw/zinc/26/24/71/657262471.db2.gz QBIDUSPETZNFIQ-NZSAHSFTSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001050191241 657267810 /nfs/dbraw/zinc/26/78/10/657267810.db2.gz MLHNHWHIPMSSOJ-QWHCGFSZSA-N 0 3 324.371 3.330 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC001050192250 657267822 /nfs/dbraw/zinc/26/78/22/657267822.db2.gz AWCSMMOLKOACQL-SUMWQHHRSA-N 0 3 320.383 3.077 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001050205865 657270696 /nfs/dbraw/zinc/27/06/96/657270696.db2.gz WLINOQYYFVFNKL-QILLFSRXSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001050213976 657271799 /nfs/dbraw/zinc/27/17/99/657271799.db2.gz VPDLKCPOGLMDSF-WMLDXEAASA-N 0 3 310.397 3.155 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)C=C3CCC3)C2)CC1 ZINC001047231946 657282939 /nfs/dbraw/zinc/28/29/39/657282939.db2.gz IHLGVOQAAUYGIE-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CCC3CCCCCC3)C2)CC1 ZINC001050592377 657328414 /nfs/dbraw/zinc/32/84/14/657328414.db2.gz RCBGCHDUJCEWIT-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@@H]3C[C@@]3(C)CC)cccc2C1 ZINC001051306232 657385886 /nfs/dbraw/zinc/38/58/86/657385886.db2.gz PFBNLRCMPJFPOA-PZJWPPBQSA-N 0 3 324.468 3.120 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC000968354660 657392459 /nfs/dbraw/zinc/39/24/59/657392459.db2.gz VCSCZVBJHMUEJA-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968366420 657395946 /nfs/dbraw/zinc/39/59/46/657395946.db2.gz XIVPZHSQVYJEBG-CRAIPNDOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC000968382870 657400905 /nfs/dbraw/zinc/40/09/05/657400905.db2.gz WWSKHTQGHGBMCU-HOCLYGCPSA-N 0 3 319.449 3.204 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387052 657402094 /nfs/dbraw/zinc/40/20/94/657402094.db2.gz UAQHNCXOVWLJTG-DGCLKSJQSA-N 0 3 312.866 3.418 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387054 657402749 /nfs/dbraw/zinc/40/27/49/657402749.db2.gz UAQHNCXOVWLJTG-YPMHNXCESA-N 0 3 312.866 3.418 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC000968414688 657408513 /nfs/dbraw/zinc/40/85/13/657408513.db2.gz VDEFETPREHTNRE-KBPBESRZSA-N 0 3 321.490 3.283 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC000968545312 657423637 /nfs/dbraw/zinc/42/36/37/657423637.db2.gz YWYBJKIWSORGEF-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC000968549565 657424768 /nfs/dbraw/zinc/42/47/68/657424768.db2.gz UFADIDLLUYQVPH-ZBFHGGJFSA-N 0 3 318.461 3.421 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC000968562837 657427333 /nfs/dbraw/zinc/42/73/33/657427333.db2.gz XFVNFJHQQFJPDU-NVXWUHKLSA-N 0 3 316.445 3.020 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968610171 657441698 /nfs/dbraw/zinc/44/16/98/657441698.db2.gz OQOCGAAQQCUNIO-NWDGAFQWSA-N 0 3 312.866 3.418 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1ccccc1Cl ZINC000968617545 657443749 /nfs/dbraw/zinc/44/37/49/657443749.db2.gz BZXBDYSCXUTDBP-UKRRQHHQSA-N 0 3 316.832 3.005 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC000968624456 657447157 /nfs/dbraw/zinc/44/71/57/657447157.db2.gz UAYXLEZRIBVQLY-WFASDCNBSA-N 0 3 306.475 3.381 20 30 DGEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695332 657462049 /nfs/dbraw/zinc/46/20/49/657462049.db2.gz MWMLLTVEHBJEEM-QWHCGFSZSA-N 0 3 310.438 3.294 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000968795081 657488916 /nfs/dbraw/zinc/48/89/16/657488916.db2.gz FJPJDYZFGHDMJS-OAHLLOKOSA-N 0 3 324.827 3.295 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC000968938676 657518751 /nfs/dbraw/zinc/51/87/51/657518751.db2.gz OLYUWASRLFUIMY-INIZCTEOSA-N 0 3 323.440 3.166 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC000968947867 657520503 /nfs/dbraw/zinc/52/05/03/657520503.db2.gz YFSUAXCZRRHLIW-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000968990297 657529149 /nfs/dbraw/zinc/52/91/49/657529149.db2.gz AJKCIQIZRPCBTN-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1occc1C(C)C ZINC000969001467 657530568 /nfs/dbraw/zinc/53/05/68/657530568.db2.gz BMNNJVZXEAMTAY-INIZCTEOSA-N 0 3 316.445 3.401 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC000969002239 657530978 /nfs/dbraw/zinc/53/09/78/657530978.db2.gz NKZVROOXLQKLOI-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1conc1C1CC1 ZINC000969023767 657537172 /nfs/dbraw/zinc/53/71/72/657537172.db2.gz VHWGBEZBXIZSLM-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC000969046546 657540973 /nfs/dbraw/zinc/54/09/73/657540973.db2.gz OGNNRXYRYQKGBV-HNNXBMFYSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc(C(C)C)s2)CC1 ZINC001006496713 657547767 /nfs/dbraw/zinc/54/77/67/657547767.db2.gz XWLMJOOSISXEEE-UHFFFAOYSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC000969073173 657550339 /nfs/dbraw/zinc/55/03/39/657550339.db2.gz XJLJQKJKRDFLIS-KRWDZBQOSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccc(CCC)cc1)C(C)C ZINC000097063535 657590937 /nfs/dbraw/zinc/59/09/37/657590937.db2.gz FOELMQQKMYMPES-YJBOKZPZSA-N 0 3 300.446 3.064 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001007342580 657597197 /nfs/dbraw/zinc/59/71/97/657597197.db2.gz IQHLKHFQMRDUNS-QRVBRYPASA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001007673585 657627762 /nfs/dbraw/zinc/62/77/62/657627762.db2.gz KKRMSROMWOQBNL-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001007794240 657634519 /nfs/dbraw/zinc/63/45/19/657634519.db2.gz ULHVGMOQAXQUNA-HNNXBMFYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001007887969 657644944 /nfs/dbraw/zinc/64/49/44/657644944.db2.gz DABJKASXCJABCW-CQSZACIVSA-N 0 3 314.385 3.310 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001007976825 657649316 /nfs/dbraw/zinc/64/93/16/657649316.db2.gz NDLFBNVHTVGVEQ-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001008170008 657666026 /nfs/dbraw/zinc/66/60/26/657666026.db2.gz MKTCWXGBRXLBQC-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001008183964 657667857 /nfs/dbraw/zinc/66/78/57/657667857.db2.gz PWASIYXEECXOOP-INIZCTEOSA-N 0 3 323.440 3.002 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009061100 657744524 /nfs/dbraw/zinc/74/45/24/657744524.db2.gz WGAGDFCKLVQESB-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001009199278 657755150 /nfs/dbraw/zinc/75/51/50/657755150.db2.gz DRDRARKIHBTPRN-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001009199281 657756294 /nfs/dbraw/zinc/75/62/94/657756294.db2.gz DRDRARKIHBTPRN-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C=C1CCCCC1 ZINC000960246492 657766298 /nfs/dbraw/zinc/76/62/98/657766298.db2.gz BIYAQLPEMPGLLK-UYAOXDASSA-N 0 3 310.441 3.435 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001009371146 657772911 /nfs/dbraw/zinc/77/29/11/657772911.db2.gz NXXOXNWOXWQULX-GFCCVEGCSA-N 0 3 312.360 3.378 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(F)c(C)c1 ZINC000960298667 657774611 /nfs/dbraw/zinc/77/46/11/657774611.db2.gz FTDANKGZPAIGOK-RTBURBONSA-N 0 3 324.399 3.306 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000960308188 657775862 /nfs/dbraw/zinc/77/58/62/657775862.db2.gz QHSQMROSRZHJPL-DLVXIWMQSA-N 0 3 310.441 3.125 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001009479229 657790803 /nfs/dbraw/zinc/79/08/03/657790803.db2.gz YQMUZNJKBIVXEF-QGZVFWFLSA-N 0 3 323.440 3.002 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2c(Cl)cccc2OC)C1 ZINC001009643953 657803334 /nfs/dbraw/zinc/80/33/34/657803334.db2.gz OCOWKTXWHRUZRS-ZDUSSCGKSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)C(C)C)CC2)C1 ZINC000961332752 658007669 /nfs/dbraw/zinc/00/76/69/658007669.db2.gz RWEICWIGECBREO-MRXNPFEDSA-N 0 3 312.885 3.346 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001029921607 658008240 /nfs/dbraw/zinc/00/82/40/658008240.db2.gz MEEBKSYVZKALMK-SXLOBPIMSA-N 0 3 324.468 3.159 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC000961404424 658026831 /nfs/dbraw/zinc/02/68/31/658026831.db2.gz XOBNXAMLQYADLY-XKQJLSEDSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(Cc4ccsc4)C[C@H]32)CC1 ZINC000961685799 658058218 /nfs/dbraw/zinc/05/82/18/658058218.db2.gz HECUOYWHDOCFTF-FVQHAEBGSA-N 0 3 316.470 3.041 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001015185620 658097355 /nfs/dbraw/zinc/09/73/55/658097355.db2.gz KIFMYZOOHSMYLS-KRWDZBQOSA-N 0 3 320.436 3.319 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000962439018 658114954 /nfs/dbraw/zinc/11/49/54/658114954.db2.gz RUBLNAOSWILURO-PMOLBWCYSA-N 0 3 318.420 3.200 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC001015486416 658124276 /nfs/dbraw/zinc/12/42/76/658124276.db2.gz HWZYHEVRKUQKOT-OXQOHEQNSA-N 0 3 318.420 3.233 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC000963226613 658163779 /nfs/dbraw/zinc/16/37/79/658163779.db2.gz APIBYEFXPQTFED-QWHCGFSZSA-N 0 3 320.811 3.097 20 30 DGEDHN 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCCCC2)C12CCC2 ZINC001078531572 687677382 /nfs/dbraw/zinc/67/73/82/687677382.db2.gz OIXPDBPNMONMAC-LSDHHAIUSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)Cc2cccs2)C12CCC2 ZINC001078538347 687678665 /nfs/dbraw/zinc/67/86/65/687678665.db2.gz CXJMFRBJCYOFJL-KGLIPLIRSA-N 0 3 324.877 3.060 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccs2)C12CCC2 ZINC001078543457 687679612 /nfs/dbraw/zinc/67/96/12/687679612.db2.gz OOQFVWWBUQBWMW-STQMWFEESA-N 0 3 310.850 3.131 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)Cc2ccsc2)C12CCC2 ZINC001078543321 687679685 /nfs/dbraw/zinc/67/96/85/687679685.db2.gz NBZNEVIXPZZKGE-ZIAGYGMSSA-N 0 3 324.877 3.060 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccsc2)C12CCC2 ZINC001078540954 687679755 /nfs/dbraw/zinc/67/97/55/687679755.db2.gz IWLLLIWOQUTNHF-QWHCGFSZSA-N 0 3 310.850 3.131 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC2CCCC2)C12CCC2 ZINC001078541150 687679887 /nfs/dbraw/zinc/67/98/87/687679887.db2.gz LZTBGCOCWQDWLB-HUUCEWRRSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2occc2CC)C12CCC2 ZINC001078720675 687713269 /nfs/dbraw/zinc/71/32/69/687713269.db2.gz OWFHMZUFOQJNRC-KGLIPLIRSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2occc2CC)C12CCC2 ZINC001078720674 687713596 /nfs/dbraw/zinc/71/35/96/687713596.db2.gz OWFHMZUFOQJNRC-KBPBESRZSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cscc2C(F)F)C1 ZINC001079710747 687878463 /nfs/dbraw/zinc/87/84/63/687878463.db2.gz VFMCYVXNKUARMW-ZWNOBZJWSA-N 0 3 314.401 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001079856823 687897520 /nfs/dbraw/zinc/89/75/20/687897520.db2.gz OJRABIALDPPJGI-RHSMWYFYSA-N 0 3 312.413 3.367 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001079963550 687906986 /nfs/dbraw/zinc/90/69/86/687906986.db2.gz ILBGOMHOTXIWEO-ATZDWAIDSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001079994546 687910806 /nfs/dbraw/zinc/91/08/06/687910806.db2.gz DDZSXYVAVWYCKW-JVGQSUMCSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001080184451 687927814 /nfs/dbraw/zinc/92/78/14/687927814.db2.gz HDKRNKSRPDJEGA-TZMCWYRMSA-N 0 3 324.827 3.414 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001080385583 687967474 /nfs/dbraw/zinc/96/74/74/687967474.db2.gz ABLDVGLCBQGEBL-UKRRQHHQSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001080626187 688004312 /nfs/dbraw/zinc/00/43/12/688004312.db2.gz FMPZUZLGPOCXFS-GPMSIDNRSA-N 0 3 314.473 3.365 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001080644099 688007104 /nfs/dbraw/zinc/00/71/04/688007104.db2.gz ZPEOIOMFVJLCRA-HHXXYDBFSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001080808223 688013172 /nfs/dbraw/zinc/01/31/72/688013172.db2.gz OYTLEHMWBONTTC-SJLPKXTDSA-N 0 3 314.473 3.285 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001080914674 688028143 /nfs/dbraw/zinc/02/81/43/688028143.db2.gz PKKONIAPHMXSAV-OXQOHEQNSA-N 0 3 322.452 3.395 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001080985682 688031946 /nfs/dbraw/zinc/03/19/46/688031946.db2.gz XMPQSJLZVSRVSZ-SOLBZPMBSA-N 0 3 300.446 3.111 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001081071101 688047561 /nfs/dbraw/zinc/04/75/61/688047561.db2.gz NVUPKNNGPDPOJP-OXQOHEQNSA-N 0 3 322.452 3.327 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H]1c1ccccc1 ZINC001081082868 688050085 /nfs/dbraw/zinc/05/00/85/688050085.db2.gz HDIKBTBGDBBADU-VQTJNVASSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC001081164453 688057400 /nfs/dbraw/zinc/05/74/00/688057400.db2.gz CTXZYJIQRDUFJQ-GBESFXJTSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082721623 688124069 /nfs/dbraw/zinc/12/40/69/688124069.db2.gz BNJOWBIGOJKBMS-LSBZLQRGSA-N 0 3 318.436 3.365 20 30 DGEDHN C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CCCCC#N)CC(C)(C)C1 ZINC001576597701 1191851096 /nfs/dbraw/zinc/85/10/96/1191851096.db2.gz IBCHKSKEBDFAIV-OAGGEKHMSA-N 0 3 307.482 3.366 20 30 DGEDHN C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)CCCCC#N)CC(C)(C)C1 ZINC001576597703 1191851604 /nfs/dbraw/zinc/85/16/04/1191851604.db2.gz IBCHKSKEBDFAIV-PMPSAXMXSA-N 0 3 307.482 3.366 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC001577426763 1191900449 /nfs/dbraw/zinc/90/04/49/1191900449.db2.gz WEPTWQGXYTWYTE-HOTGVXAUSA-N 0 3 312.498 3.338 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001580048941 1192004651 /nfs/dbraw/zinc/00/46/51/1192004651.db2.gz BFZVTAHCFKTYTH-LLVKDONJSA-N 0 3 317.336 3.258 20 30 DGEDHN N#CCSc1ccccc1C(=O)Nc1cccc2c1CNC2 ZINC001580054949 1192005364 /nfs/dbraw/zinc/00/53/64/1192005364.db2.gz CXUWVCZSKWZLCH-UHFFFAOYSA-N 0 3 309.394 3.158 20 30 DGEDHN N#Cc1ccc(CNC(=O)[C@H](N)C2CCCCCC2)cc1Cl ZINC001580065699 1192005688 /nfs/dbraw/zinc/00/56/88/1192005688.db2.gz OVHVJBRCYNGRGJ-MRXNPFEDSA-N 0 3 319.836 3.126 20 30 DGEDHN CCOC(OCC)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC001663514015 1196892045 /nfs/dbraw/zinc/89/20/45/1196892045.db2.gz LDPPEQAERFAQLJ-CQSZACIVSA-N 0 3 304.434 3.365 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588561058 1192449822 /nfs/dbraw/zinc/44/98/22/1192449822.db2.gz WXVZWCQAKBWLKR-DOTOQJQBSA-N 0 3 311.433 3.400 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588561058 1192449823 /nfs/dbraw/zinc/44/98/23/1192449823.db2.gz WXVZWCQAKBWLKR-DOTOQJQBSA-N 0 3 311.433 3.400 20 30 DGEDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CCCC(C)(C)C#N ZINC001590047702 1192485622 /nfs/dbraw/zinc/48/56/22/1192485622.db2.gz ZZERQGCESLUUEA-ZDUSSCGKSA-N 0 3 312.421 3.189 20 30 DGEDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC001590047702 1192485626 /nfs/dbraw/zinc/48/56/26/1192485626.db2.gz ZZERQGCESLUUEA-ZDUSSCGKSA-N 0 3 312.421 3.189 20 30 DGEDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)CCCC(C)(C)C#N ZINC001590047702 1192485634 /nfs/dbraw/zinc/48/56/34/1192485634.db2.gz ZZERQGCESLUUEA-ZDUSSCGKSA-N 0 3 312.421 3.189 20 30 DGEDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC001590047702 1192485639 /nfs/dbraw/zinc/48/56/39/1192485639.db2.gz ZZERQGCESLUUEA-ZDUSSCGKSA-N 0 3 312.421 3.189 20 30 DGEDHN C=CCCCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001594720268 1192647376 /nfs/dbraw/zinc/64/73/76/1192647376.db2.gz HLOMGRSOVPNJHX-CABCVRRESA-N 0 3 317.481 3.041 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001772512206 1176048215 /nfs/dbraw/zinc/04/82/15/1176048215.db2.gz YWZXBEOXEXTETI-RTBURBONSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001691770969 1176158091 /nfs/dbraw/zinc/15/80/91/1176158091.db2.gz PNPGYMHUJXETCM-YDHLFZDLSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(Cl)cc1F)C1CC1 ZINC001266600094 1176179727 /nfs/dbraw/zinc/17/97/27/1176179727.db2.gz IXXNSPBTQSJHHY-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1ccc(Cl)cc1 ZINC001670672188 1176210612 /nfs/dbraw/zinc/21/06/12/1176210612.db2.gz JOUVLUVYLOUHKO-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001670701559 1176224586 /nfs/dbraw/zinc/22/45/86/1176224586.db2.gz RZAIEKAJRQTYFG-OAHLLOKOSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001670712565 1176228759 /nfs/dbraw/zinc/22/87/59/1176228759.db2.gz BJEPXWPTDBFYKU-RDJZCZTQSA-N 0 3 317.477 3.372 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001670719122 1176232161 /nfs/dbraw/zinc/23/21/61/1176232161.db2.gz KQOCQNGALBNWCF-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001670728649 1176246373 /nfs/dbraw/zinc/24/63/73/1176246373.db2.gz ATGFVRGTJSBHMD-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1cccc(C)c1 ZINC001691050847 1176277492 /nfs/dbraw/zinc/27/74/92/1176277492.db2.gz QHONAOPENLOQBP-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1cccs1 ZINC001691059696 1176283456 /nfs/dbraw/zinc/28/34/56/1176283456.db2.gz YTEYMAAJNGZJLU-HUUCEWRRSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001691062915 1176287606 /nfs/dbraw/zinc/28/76/06/1176287606.db2.gz XAXKHYMDHQPWEH-GOSISDBHSA-N 0 3 311.429 3.052 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001691066954 1176290584 /nfs/dbraw/zinc/29/05/84/1176290584.db2.gz YTMDZUSBVUXKPD-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000399267292 1176297222 /nfs/dbraw/zinc/29/72/22/1176297222.db2.gz SJOSVFXUDQCJCU-SFHVURJKSA-N 0 3 319.452 3.459 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@@H]1C[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001691087308 1176302098 /nfs/dbraw/zinc/30/20/98/1176302098.db2.gz MNYAKIZQUQRMMG-RQJABVFESA-N 0 3 319.836 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001691098060 1176309691 /nfs/dbraw/zinc/30/96/91/1176309691.db2.gz YMCFLKFQTSTTQA-MOPGFXCFSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001691109742 1176320164 /nfs/dbraw/zinc/32/01/64/1176320164.db2.gz WJESHYZILIXNFT-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001691189850 1176373507 /nfs/dbraw/zinc/37/35/07/1176373507.db2.gz PLDJKMXYISKNHL-NVIVIFAWSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001691391889 1176464241 /nfs/dbraw/zinc/46/42/41/1176464241.db2.gz FUDOKIQLGHYFIT-KBPBESRZSA-N 0 3 322.474 3.258 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(C2CCC2)CCC1 ZINC001691392078 1176464699 /nfs/dbraw/zinc/46/46/99/1176464699.db2.gz JJGFJZLUJHBRLT-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001691402459 1176468525 /nfs/dbraw/zinc/46/85/25/1176468525.db2.gz LKVAMICQPLGPFO-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)COC1CCC(C)CC1 ZINC001750931844 1176566167 /nfs/dbraw/zinc/56/61/67/1176566167.db2.gz ZTNBBDCKKFNQHO-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001752133101 1176674092 /nfs/dbraw/zinc/67/40/92/1176674092.db2.gz ZSXOKHGIWRGQDG-WFASDCNBSA-N 0 3 310.825 3.313 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(CC)cc2)[C@H]1CC ZINC001691516033 1177051020 /nfs/dbraw/zinc/05/10/20/1177051020.db2.gz QQZDNQPQZWLFDY-RBUKOAKNSA-N 0 3 314.473 3.337 20 30 DGEDHN CC#CCNC1(CNC(=O)CCc2ccc(C(C)C)cc2)CC1 ZINC001670820466 1177156653 /nfs/dbraw/zinc/15/66/53/1177156653.db2.gz SVSPDFCEAJRUKR-UHFFFAOYSA-N 0 3 312.457 3.004 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1oc2ccc(F)cc2c1C ZINC001272033108 1177176702 /nfs/dbraw/zinc/17/67/02/1177176702.db2.gz GTIUDQRZPOHLOX-UHFFFAOYSA-N 0 3 318.392 3.460 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001752822896 1177203856 /nfs/dbraw/zinc/20/38/56/1177203856.db2.gz QDBXDNYFRXVMLO-HUUCEWRRSA-N 0 3 306.475 3.398 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001752915387 1177440707 /nfs/dbraw/zinc/44/07/07/1177440707.db2.gz XYMHRKTVCUFBMI-ZDUSSCGKSA-N 0 3 306.837 3.024 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC(C)C ZINC001671010899 1177570722 /nfs/dbraw/zinc/57/07/22/1177570722.db2.gz CTEHMHPOKNQZOU-QRVBRYPASA-N 0 3 318.505 3.393 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001110934379 1177944226 /nfs/dbraw/zinc/94/42/26/1177944226.db2.gz BEBUCIJTSGDSEI-TVFCKZIOSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001331291645 1178176883 /nfs/dbraw/zinc/17/68/83/1178176883.db2.gz ZUGBMTBNKQYRQT-ZDUSSCGKSA-N 0 3 319.276 3.488 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@@H]1CC12CCCC2)NCC#Cc1ccccc1 ZINC001331600865 1178255819 /nfs/dbraw/zinc/25/58/19/1178255819.db2.gz QPEHROSZCPLMPY-MJGOQNOKSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CC(C)(C)C ZINC001331855161 1178292585 /nfs/dbraw/zinc/29/25/85/1178292585.db2.gz ZPVUXUOBEBSFSR-FUHWJXTLSA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001331953562 1178318324 /nfs/dbraw/zinc/31/83/24/1178318324.db2.gz KRMGLHJRTWLMQV-HOTGVXAUSA-N 0 3 316.445 3.331 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001332010294 1178334848 /nfs/dbraw/zinc/33/48/48/1178334848.db2.gz AUDVJHPAODTMEX-JXFKEZNVSA-N 0 3 324.468 3.099 20 30 DGEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CCC1(C)CC1 ZINC001332046959 1178343690 /nfs/dbraw/zinc/34/36/90/1178343690.db2.gz HWXKXNOXNQBMSW-PKOBYXMFSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)n(C(C)C)n1)C(C)C ZINC001332753129 1178491226 /nfs/dbraw/zinc/49/12/26/1178491226.db2.gz JUWWQAJCPLOYDW-UHFFFAOYSA-N 0 3 320.481 3.131 20 30 DGEDHN Cc1cccc(CN2CC=C(CNC(=O)C#CC(C)(C)C)CC2)c1 ZINC001333336311 1178589978 /nfs/dbraw/zinc/58/99/78/1178589978.db2.gz FPYWVCXWZJUUKU-UHFFFAOYSA-N 0 3 324.468 3.293 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCCCc2ccccc2)CC1 ZINC001333389557 1178597915 /nfs/dbraw/zinc/59/79/15/1178597915.db2.gz CJEOYNWYOGTYJH-UHFFFAOYSA-N 0 3 312.457 3.334 20 30 DGEDHN C[C@@H](O)[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC001333856309 1178685089 /nfs/dbraw/zinc/68/50/89/1178685089.db2.gz KNVIZQBPKPRWBB-GDBSJFFISA-N 0 3 306.409 3.322 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001341445741 1179009103 /nfs/dbraw/zinc/00/91/03/1179009103.db2.gz INZKCSJEAOUNQG-GOEBONIOSA-N 0 3 306.837 3.340 20 30 DGEDHN COc1ccc2c(c1)[C@H](NCc1cccc(OCC#N)c1)CC2 ZINC001341693297 1179049906 /nfs/dbraw/zinc/04/99/06/1179049906.db2.gz WFLMBTTTZJAZQI-LJQANCHMSA-N 0 3 308.381 3.375 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC001341860116 1179072136 /nfs/dbraw/zinc/07/21/36/1179072136.db2.gz FOIDKHQVOMVYTC-ULQDDVLXSA-N 0 3 312.498 3.384 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001342060467 1179097176 /nfs/dbraw/zinc/09/71/76/1179097176.db2.gz NOBCJBJZKBBZIP-GJZGRUSLSA-N 0 3 320.408 3.228 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC2(C[C@H]1C)CCOCC2 ZINC001342126995 1179107102 /nfs/dbraw/zinc/10/71/02/1179107102.db2.gz GXLULQABWQPEML-IAGOWNOFSA-N 0 3 324.509 3.482 20 30 DGEDHN C=CCN1CCC(Nc2nccn3nc(C(C)(C)C)cc23)CC1 ZINC001342897536 1179206325 /nfs/dbraw/zinc/20/63/25/1179206325.db2.gz JYZYPINYQFPOIK-UHFFFAOYSA-N 0 3 313.449 3.089 20 30 DGEDHN C[C@H](CC#N)C(=O)OC[C@@H]1CCCCN1Cc1ccccc1 ZINC001343409668 1179268680 /nfs/dbraw/zinc/26/86/80/1179268680.db2.gz USAUWDFNDMGJET-WBVHZDCISA-N 0 3 300.402 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC001343507665 1179287362 /nfs/dbraw/zinc/28/73/62/1179287362.db2.gz AAESYLYFQQEEBX-KBPBESRZSA-N 0 3 314.385 3.335 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 ZINC001343523586 1179291223 /nfs/dbraw/zinc/29/12/23/1179291223.db2.gz VYUMEJKHONALQK-CABCVRRESA-N 0 3 310.825 3.075 20 30 DGEDHN CCn1nc(C(C)C)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001344003937 1179362305 /nfs/dbraw/zinc/36/23/05/1179362305.db2.gz CQZMJTJPFGPLBH-LLVKDONJSA-N 0 3 300.337 3.051 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1c(C)noc1C ZINC001479819806 1179467783 /nfs/dbraw/zinc/46/77/83/1179467783.db2.gz IQRUSVHBWNAOIO-WMLDXEAASA-N 0 3 319.449 3.117 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC001344863102 1179487505 /nfs/dbraw/zinc/48/75/05/1179487505.db2.gz FDUZWQCOXYESQA-GOEBONIOSA-N 0 3 320.396 3.370 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1cccc(C)c1 ZINC001344874690 1179489820 /nfs/dbraw/zinc/48/98/20/1179489820.db2.gz DXNHMEUEBDTLBZ-MRXNPFEDSA-N 0 3 311.385 3.247 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001345647211 1179586613 /nfs/dbraw/zinc/58/66/13/1179586613.db2.gz SLQLEVXGCIHLSU-CJNGLKHVSA-N 0 3 311.385 3.282 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCOc1ccccc1 ZINC001345647275 1179586637 /nfs/dbraw/zinc/58/66/37/1179586637.db2.gz UOMYIOJGNFJNNY-ZBFHGGJFSA-N 0 3 311.385 3.184 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001346085543 1179650790 /nfs/dbraw/zinc/65/07/90/1179650790.db2.gz GHVQSEGGMPJMJX-RBUKOAKNSA-N 0 3 308.425 3.375 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC001346095475 1179651745 /nfs/dbraw/zinc/65/17/45/1179651745.db2.gz FAQDGQVIXKQHQE-PBHICJAKSA-N 0 3 307.397 3.274 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cnc2ccccc2c1 ZINC001346095322 1179651775 /nfs/dbraw/zinc/65/17/75/1179651775.db2.gz CENPDYKXNLKPNI-MRXNPFEDSA-N 0 3 318.380 3.260 20 30 DGEDHN C=CC1(CC(=O)C(C#N)C(=O)Nc2ccccn2)CCCCC1 ZINC001346536995 1179717637 /nfs/dbraw/zinc/71/76/37/1179717637.db2.gz FKOJMBAKWFXOQF-CQSZACIVSA-N 0 3 311.385 3.256 20 30 DGEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137532 1179783157 /nfs/dbraw/zinc/78/31/57/1179783157.db2.gz OSHZLDBSGHQKJD-SGUJLRQBSA-N 0 3 301.708 3.159 20 30 DGEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccncc1 ZINC001347992799 1179824623 /nfs/dbraw/zinc/82/46/23/1179824623.db2.gz IVTPQIKRRBBDTN-GWCFXTLKSA-N 0 3 301.296 3.125 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001348711625 1179846813 /nfs/dbraw/zinc/84/68/13/1179846813.db2.gz BOGAWHXMGHUOAI-UHFFFAOYSA-N 0 3 313.445 3.051 20 30 DGEDHN CCCCCCCCCCCC(=O)N1CCOC2(CNC2)C1 ZINC001350440197 1180072378 /nfs/dbraw/zinc/07/23/78/1180072378.db2.gz HUODIDUGSYEVLO-UHFFFAOYSA-N 0 3 310.482 3.108 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1c(C)cc(C)cc1C ZINC001480323861 1180369281 /nfs/dbraw/zinc/36/92/81/1180369281.db2.gz LWOJLSQJQQSPTG-SFHVURJKSA-N 0 3 314.473 3.311 20 30 DGEDHN C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603662794 1193024918 /nfs/dbraw/zinc/02/49/18/1193024918.db2.gz QTMGHQZPWJZWKR-CQSZACIVSA-N 0 3 324.432 3.381 20 30 DGEDHN C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603662794 1193024920 /nfs/dbraw/zinc/02/49/20/1193024920.db2.gz QTMGHQZPWJZWKR-CQSZACIVSA-N 0 3 324.432 3.381 20 30 DGEDHN N#CCOc1ccc(CNCc2cccc(Cl)c2N)cc1 ZINC001200293959 1180519123 /nfs/dbraw/zinc/51/91/23/1180519123.db2.gz VLLSAIMLIJUWTA-UHFFFAOYSA-N 0 3 301.777 3.114 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)ccc1OC(C)C ZINC001353289999 1180520182 /nfs/dbraw/zinc/52/01/82/1180520182.db2.gz ICDAAVDQYLBDAR-AWEZNQCLSA-N 0 3 306.406 3.105 20 30 DGEDHN Cn1cnc2cc(CNC3CC(C#N)(c4ccccc4)C3)ccc21 ZINC001353932498 1180687348 /nfs/dbraw/zinc/68/73/48/1180687348.db2.gz KBUNOGMWXCCJDV-UHFFFAOYSA-N 0 3 316.408 3.287 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001354381098 1180781842 /nfs/dbraw/zinc/78/18/42/1180781842.db2.gz LVSVIBNVZXCALG-PBHICJAKSA-N 0 3 322.399 3.354 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cc(F)ccc2F)C1 ZINC001100564774 1180794105 /nfs/dbraw/zinc/79/41/05/1180794105.db2.gz WTUMBSLJNJQWPR-UHFFFAOYSA-N 0 3 322.399 3.161 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100597423 1180837987 /nfs/dbraw/zinc/83/79/87/1180837987.db2.gz UUNVLYYESRTEJP-WLYUNCDWSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001100670317 1180912857 /nfs/dbraw/zinc/91/28/57/1180912857.db2.gz NNONLBXEJRUQEO-DCBWTQNWSA-N 0 3 312.866 3.089 20 30 DGEDHN CC[C@H](C)C[C@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001355379970 1181047135 /nfs/dbraw/zinc/04/71/35/1181047135.db2.gz RYQSMFPYMVVBOS-KSSFIOAISA-N 0 3 313.445 3.028 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1C1CCOCC1 ZINC001357587386 1181411171 /nfs/dbraw/zinc/41/11/71/1181411171.db2.gz ITGDRFXNHVBGNI-MSOLQXFVSA-N 0 3 324.509 3.482 20 30 DGEDHN N#CCCc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC001358147680 1181460814 /nfs/dbraw/zinc/46/08/14/1181460814.db2.gz HSFDBFULZZFHOW-GOSISDBHSA-N 0 3 305.381 3.316 20 30 DGEDHN C=CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001473437957 1181523272 /nfs/dbraw/zinc/52/32/72/1181523272.db2.gz OHCFFZKEAGKLHW-AWEZNQCLSA-N 0 3 319.405 3.080 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2ccc(F)cc2s1 ZINC001492981565 1181601861 /nfs/dbraw/zinc/60/18/61/1181601861.db2.gz DNAMGAPAZNQKNZ-UHFFFAOYSA-N 0 3 306.406 3.278 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC001448886442 1182216802 /nfs/dbraw/zinc/21/68/02/1182216802.db2.gz ZWQCLFFQISTCBX-UHFFFAOYSA-N 0 3 316.445 3.153 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001448881971 1182217151 /nfs/dbraw/zinc/21/71/51/1182217151.db2.gz HXRDHGJSKGNFAM-OAHLLOKOSA-N 0 3 306.425 3.286 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001448874415 1182217782 /nfs/dbraw/zinc/21/77/82/1182217782.db2.gz QHZVWDAXNXDWMG-UAPYVXQJSA-N 0 3 318.436 3.023 20 30 DGEDHN N#Cc1cccc(Br)c1N[C@@H]1CCN2CCCC[C@@H]12 ZINC001458111460 1182497502 /nfs/dbraw/zinc/49/75/02/1182497502.db2.gz DXSHOBHLLWSNBY-KGLIPLIRSA-N 0 3 320.234 3.359 20 30 DGEDHN N#Cc1ccc(Br)cc1N1CCc2cnccc21 ZINC001458209320 1182506289 /nfs/dbraw/zinc/50/62/89/1182506289.db2.gz AFKOBVRVAWLGQH-UHFFFAOYSA-N 0 3 300.159 3.410 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC001459479805 1182588652 /nfs/dbraw/zinc/58/86/52/1182588652.db2.gz HEFVKTRSWXHRAK-QFBILLFUSA-N 0 3 319.493 3.498 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C1(CC)CC ZINC001459751445 1182611784 /nfs/dbraw/zinc/61/17/84/1182611784.db2.gz PUGIOOZAZVIVGO-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN C#CCC1(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCC1 ZINC001460822300 1182727752 /nfs/dbraw/zinc/72/77/52/1182727752.db2.gz WJYKIDVVHNAEPK-OAHLLOKOSA-N 0 3 320.795 3.120 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1F ZINC001461252718 1182785488 /nfs/dbraw/zinc/78/54/88/1182785488.db2.gz CPVNNXBNDBXEDW-ROUUACIJSA-N 0 3 316.351 3.438 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2nccnc2c1 ZINC001461475508 1182817106 /nfs/dbraw/zinc/81/71/06/1182817106.db2.gz UMPBYELRQYGCSM-QGZVFWFLSA-N 0 3 300.365 3.279 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC)CC1CCCCC1 ZINC001468546629 1183341551 /nfs/dbraw/zinc/34/15/51/1183341551.db2.gz XGMUPSPXLVEFGE-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001471314605 1183555239 /nfs/dbraw/zinc/55/52/39/1183555239.db2.gz DBIMZYCNLSKYAF-GOSISDBHSA-N 0 3 300.446 3.288 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)ccn2)C1(CC)CC ZINC001473244043 1183735095 /nfs/dbraw/zinc/73/50/95/1183735095.db2.gz OGXPMTCRKYOJNC-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]2CCCC[C@H]12 ZINC001473738148 1183795743 /nfs/dbraw/zinc/79/57/43/1183795743.db2.gz WHDVWUVAMDCWKB-OKZBNKHCSA-N 0 3 303.833 3.317 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@]1(C)c1ccccc1 ZINC001473754564 1183798867 /nfs/dbraw/zinc/79/88/67/1183798867.db2.gz JXJLEIBVULASPD-QFBILLFUSA-N 0 3 313.445 3.006 20 30 DGEDHN C=CCNC(=O)CNCc1ccccc1-c1ccc(C)cc1C ZINC001474088558 1183864876 /nfs/dbraw/zinc/86/48/76/1183864876.db2.gz JPUFLBCAZZKKGQ-UHFFFAOYSA-N 0 3 308.425 3.362 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001653661801 1195741613 /nfs/dbraw/zinc/74/16/13/1195741613.db2.gz BQYPBPUXAQMBGV-WBVHZDCISA-N 0 3 306.837 3.299 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C1(CC)CC ZINC001474325593 1183904819 /nfs/dbraw/zinc/90/48/19/1183904819.db2.gz GSKBZBBWUPWFKM-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C1(CC)CC ZINC001474325592 1183905115 /nfs/dbraw/zinc/90/51/15/1183905115.db2.gz GSKBZBBWUPWFKM-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN C=CCCCCCN(C)Cc1cn(C)nc1C1CCOCC1 ZINC001474370365 1183911476 /nfs/dbraw/zinc/91/14/76/1183911476.db2.gz YMCNAOGBGPZUAB-UHFFFAOYSA-N 0 3 305.466 3.492 20 30 DGEDHN N#CC1CCC(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001474468625 1183926714 /nfs/dbraw/zinc/92/67/14/1183926714.db2.gz BTZWAUKERKEAMP-UHFFFAOYSA-N 0 3 314.345 3.156 20 30 DGEDHN CO[C@@H]1C[C@H](N(C)Cc2cc(C#N)ccc2N(C)C)C12CCC2 ZINC001474525963 1183935106 /nfs/dbraw/zinc/93/51/06/1183935106.db2.gz IJFWCQIGQZLHEU-ZWKOTPCHSA-N 0 3 313.445 3.014 20 30 DGEDHN O[C@H](CNCC#Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001474684432 1183961683 /nfs/dbraw/zinc/96/16/83/1183961683.db2.gz KQFBZCXJFJIEOU-QGZVFWFLSA-N 0 3 319.326 3.380 20 30 DGEDHN C/C=C(\C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001496032189 1184025560 /nfs/dbraw/zinc/02/55/60/1184025560.db2.gz TVIPYWIOVMOQNF-JVDKPVQESA-N 0 3 318.848 3.094 20 30 DGEDHN C/C=C(/C)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001496032190 1184025659 /nfs/dbraw/zinc/02/56/59/1184025659.db2.gz TVIPYWIOVMOQNF-NUKWSGDCSA-N 0 3 318.848 3.094 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC001477287076 1184078763 /nfs/dbraw/zinc/07/87/63/1184078763.db2.gz FVEZJHOPQMMMEH-AWEZNQCLSA-N 0 3 309.479 3.395 20 30 DGEDHN C=C(C)CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001478773110 1184174293 /nfs/dbraw/zinc/17/42/93/1184174293.db2.gz ZYTBQHNWXAXJRU-SFHVURJKSA-N 0 3 317.477 3.363 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC001478767562 1184174308 /nfs/dbraw/zinc/17/43/08/1184174308.db2.gz ZREJAEAFTBCZRB-SJLPKXTDSA-N 0 3 313.445 3.011 20 30 DGEDHN C#C[C@@H](CCC)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001478896792 1184184262 /nfs/dbraw/zinc/18/42/62/1184184262.db2.gz RIPFSKRXKLKDFR-HOTGVXAUSA-N 0 3 321.852 3.044 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccnc1C(F)F ZINC001479228877 1184212661 /nfs/dbraw/zinc/21/26/61/1184212661.db2.gz WKZAEPAYWPQNME-ZDUSSCGKSA-N 0 3 323.387 3.132 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001479248432 1184216953 /nfs/dbraw/zinc/21/69/53/1184216953.db2.gz AIOIKZATHNCYFV-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CCC)c2ccccn2)[C@H]1CC ZINC001479640809 1184282769 /nfs/dbraw/zinc/28/27/69/1184282769.db2.gz ZNPBNGQLCFOFCB-BPQIPLTHSA-N 0 3 315.461 3.120 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001479739237 1184307870 /nfs/dbraw/zinc/30/78/70/1184307870.db2.gz VOKSYSSEPIROGR-KRWDZBQOSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C1CCC(C(=O)NCCCN(C)Cc2cncc(C)c2)CC1 ZINC001479794752 1184327622 /nfs/dbraw/zinc/32/76/22/1184327622.db2.gz UYGMYZMXOVTGHM-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cscc1Cl)C1CC1 ZINC001479871647 1184357882 /nfs/dbraw/zinc/35/78/82/1184357882.db2.gz QEGOTKCURMORND-UHFFFAOYSA-N 0 3 310.850 3.009 20 30 DGEDHN C#CCN(CCCNC(=O)C1(c2cccc(C)c2)CCC1)C1CC1 ZINC001479874501 1184359934 /nfs/dbraw/zinc/35/99/34/1184359934.db2.gz UJRHUJXRZWBKBH-UHFFFAOYSA-N 0 3 324.468 3.021 20 30 DGEDHN C#CCN(CCCNC(=O)c1cccc(C(C)(C)C)c1)C1CC1 ZINC001479877969 1184361888 /nfs/dbraw/zinc/36/18/88/1184361888.db2.gz ILCDEJBXMOBBSD-UHFFFAOYSA-N 0 3 312.457 3.202 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H](C)c1ccccc1C)C1CC1 ZINC001479881216 1184363319 /nfs/dbraw/zinc/36/33/19/1184363319.db2.gz WBGPFGMNHWXQRU-QGZVFWFLSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCN(CCOCCC(C)C)CC1 ZINC001479891145 1184366318 /nfs/dbraw/zinc/36/63/18/1184366318.db2.gz YZADVSKRVDMAJD-UHFFFAOYSA-N 0 3 324.509 3.184 20 30 DGEDHN CC(C)c1ccccc1CN1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001479900382 1184370192 /nfs/dbraw/zinc/37/01/92/1184370192.db2.gz NXQYEHDUAKRDQK-NVXWUHKLSA-N 0 3 313.445 3.050 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCc2cccs2)C1 ZINC001479913906 1184381712 /nfs/dbraw/zinc/38/17/12/1184381712.db2.gz CVCIBGHUPHGXSP-HNNXBMFYSA-N 0 3 306.475 3.228 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001479950624 1184386191 /nfs/dbraw/zinc/38/61/91/1184386191.db2.gz CPAAOAOUHPHWSJ-HXUWFJFHSA-N 0 3 324.468 3.059 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001479960582 1184392614 /nfs/dbraw/zinc/39/26/14/1184392614.db2.gz PEWHTGZUWCFGNF-QGZVFWFLSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001479972022 1184401597 /nfs/dbraw/zinc/40/15/97/1184401597.db2.gz KQZIAWQVPXESHA-CQSZACIVSA-N 0 3 321.490 3.112 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001480092657 1184433571 /nfs/dbraw/zinc/43/35/71/1184433571.db2.gz BMGXIMULSHVDLI-XYPHTWIQSA-N 0 3 302.418 3.232 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001480100663 1184434213 /nfs/dbraw/zinc/43/42/13/1184434213.db2.gz BASFGUHINVWNIO-ZSYWTGECSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001480155412 1184446446 /nfs/dbraw/zinc/44/64/46/1184446446.db2.gz RNEURQCVRUAHDE-RCBQFDQVSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H]1C[C@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001480172306 1184451552 /nfs/dbraw/zinc/45/15/52/1184451552.db2.gz PSYVODIFQUGWHH-XIRDDKMYSA-N 0 3 318.848 3.336 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCc1ccccc1 ZINC001480325771 1184493364 /nfs/dbraw/zinc/49/33/64/1184493364.db2.gz ZHDLOVFQFAZGCL-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC001480344382 1184499199 /nfs/dbraw/zinc/49/91/99/1184499199.db2.gz JCKWRSUCSBWLFK-KRWDZBQOSA-N 0 3 316.420 3.100 20 30 DGEDHN C=CCC1(C(=O)N2CCCC[C@@H]2CNC[C@@H](F)CC)CCC1 ZINC001480358765 1184504191 /nfs/dbraw/zinc/50/41/91/1184504191.db2.gz FHIMNSMUOQGJCB-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1cnc(C)s1 ZINC001480358486 1184504351 /nfs/dbraw/zinc/50/43/51/1184504351.db2.gz CGXWMSUFHHGTIF-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCCC2CCCC2)C1 ZINC001480385186 1184516845 /nfs/dbraw/zinc/51/68/45/1184516845.db2.gz BISYVQZNXXXCJB-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001493256974 1184675701 /nfs/dbraw/zinc/67/57/01/1184675701.db2.gz FREWYQXMJFMASF-HKUYNNGSSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2cccc(F)c2)CCC1)C1CC1 ZINC001493397263 1184700536 /nfs/dbraw/zinc/70/05/36/1184700536.db2.gz JHWBYVCOEULHSG-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001493558317 1184716775 /nfs/dbraw/zinc/71/67/75/1184716775.db2.gz YISUOQJKYDVWJP-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001493823126 1184743185 /nfs/dbraw/zinc/74/31/85/1184743185.db2.gz YOVPWKQEODAPSG-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccco1)c1ccc(C(C)C)cc1 ZINC001493878958 1184755730 /nfs/dbraw/zinc/75/57/30/1184755730.db2.gz NPQKWDIMDCTDCU-GOSISDBHSA-N 0 3 324.424 3.487 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C#CC1CC1)c1ccc(C(C)C)cc1 ZINC001493878187 1184755879 /nfs/dbraw/zinc/75/58/79/1184755879.db2.gz HKPCCAHFZOKFOI-IBGZPJMESA-N 0 3 310.441 3.156 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccc(C)n1)c1ccccc1 ZINC001493883139 1184756919 /nfs/dbraw/zinc/75/69/19/1184756919.db2.gz HPCCTVZPTSVJPA-SFHVURJKSA-N 0 3 309.413 3.027 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccsc1C)c1ccccc1 ZINC001493889353 1184759577 /nfs/dbraw/zinc/75/95/77/1184759577.db2.gz MKAHXONRIFQLOV-MRXNPFEDSA-N 0 3 300.427 3.303 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@H](C)SC)c1ccccc1 ZINC001493890144 1184759985 /nfs/dbraw/zinc/75/99/85/1184759985.db2.gz RQDFPVOCGIFPSL-HOCLYGCPSA-N 0 3 306.475 3.151 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C=C)cc1)c1ccccc1 ZINC001493900574 1184762597 /nfs/dbraw/zinc/76/25/97/1184762597.db2.gz YEXIEOBHZXRWMJ-FQEVSTJZSA-N 0 3 318.420 3.414 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001493972481 1184780229 /nfs/dbraw/zinc/78/02/29/1184780229.db2.gz VHLCNZOGUHPRLR-MRXNPFEDSA-N 0 3 315.461 3.006 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)C2(C)CC2)C1 ZINC001494181595 1184826000 /nfs/dbraw/zinc/82/60/00/1184826000.db2.gz JGGKVMXTRVUQKI-IBGZPJMESA-N 0 3 324.468 3.303 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001494271096 1184841694 /nfs/dbraw/zinc/84/16/94/1184841694.db2.gz GGMJUXUIFHEGOA-FUHWJXTLSA-N 0 3 312.457 3.378 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001494320027 1184853661 /nfs/dbraw/zinc/85/36/61/1184853661.db2.gz CJIJJUAOQOSOPE-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1F ZINC001494654648 1184899636 /nfs/dbraw/zinc/89/96/36/1184899636.db2.gz SUSMBVVRYMDYHU-JYJNAYRXSA-N 0 3 316.420 3.388 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOCC1 ZINC001494649976 1184900569 /nfs/dbraw/zinc/90/05/69/1184900569.db2.gz JMXYPYZSRNIFKR-SQNIBIBYSA-N 0 3 322.493 3.059 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(F)(F)F ZINC001494666634 1184901621 /nfs/dbraw/zinc/90/16/21/1184901621.db2.gz RDKYVUSPYMLPEY-IHRRRGAJSA-N 0 3 320.399 3.440 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C1CC1 ZINC001494680423 1184906347 /nfs/dbraw/zinc/90/63/47/1184906347.db2.gz PCGRTTSLPZWIKX-BPUTZDHNSA-N 0 3 313.445 3.146 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001494737613 1184916506 /nfs/dbraw/zinc/91/65/06/1184916506.db2.gz MLEAPQHOVPEIED-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001494767195 1184923116 /nfs/dbraw/zinc/92/31/16/1184923116.db2.gz BTVSQZFNOTVYFB-NVXWUHKLSA-N 0 3 320.502 3.474 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccc(C)s2)C1 ZINC001494925276 1184964024 /nfs/dbraw/zinc/96/40/24/1184964024.db2.gz LODNOFAUSWNCML-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN C/C=C(\C)C(=O)NC[C@@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001494962493 1184971110 /nfs/dbraw/zinc/97/11/10/1184971110.db2.gz VLHWTAMKVSPXPF-XIYYVKAQSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1(CNCc2ccccn2)CCCC1 ZINC001495182934 1185007844 /nfs/dbraw/zinc/00/78/44/1185007844.db2.gz LNOZUVPUSLACDW-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001495339098 1185034385 /nfs/dbraw/zinc/03/43/85/1185034385.db2.gz DERMBNSHMZDUCF-CVEARBPZSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001495339085 1185034779 /nfs/dbraw/zinc/03/47/79/1185034779.db2.gz QFLLEZUOWMTCFN-MRXNPFEDSA-N 0 3 316.445 3.190 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC001495490897 1185063744 /nfs/dbraw/zinc/06/37/44/1185063744.db2.gz WNLXJFHPPLVFIM-RTBURBONSA-N 0 3 324.468 3.264 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001495574359 1185075293 /nfs/dbraw/zinc/07/52/93/1185075293.db2.gz ZHKZWAPHGFPXOI-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](F)c2ccccc2)CCCC1 ZINC001495949845 1185117243 /nfs/dbraw/zinc/11/72/43/1185117243.db2.gz SQJGQCVKPTXXRS-HNNXBMFYSA-N 0 3 324.827 3.468 20 30 DGEDHN CCC(C)(C)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001496143859 1185140049 /nfs/dbraw/zinc/14/00/49/1185140049.db2.gz REOGHXDZUQCHRO-OAHLLOKOSA-N 0 3 318.436 3.050 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC001496373025 1185176518 /nfs/dbraw/zinc/17/65/18/1185176518.db2.gz CEFWHXWDLVOGMJ-MVGZEHJDSA-N 0 3 322.836 3.406 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCc1cc(F)ccc1F)C(C)C ZINC001496538296 1185208482 /nfs/dbraw/zinc/20/84/82/1185208482.db2.gz QVRMBBWREFKUHZ-MRXNPFEDSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)Cc1cccc2cccnc21 ZINC001496671212 1185229975 /nfs/dbraw/zinc/22/99/75/1185229975.db2.gz FOUFLLLWARHALE-UHFFFAOYSA-N 0 3 311.429 3.091 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001497232222 1185300299 /nfs/dbraw/zinc/30/02/99/1185300299.db2.gz YIRRWJSEPRGJMW-MLGOLLRUSA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001497232219 1185300570 /nfs/dbraw/zinc/30/05/70/1185300570.db2.gz YIRRWJSEPRGJMW-LRDDRELGSA-N 0 3 324.827 3.092 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001497279619 1185309149 /nfs/dbraw/zinc/30/91/49/1185309149.db2.gz ZTIPGNPKNIUBSS-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001497590282 1185359564 /nfs/dbraw/zinc/35/95/64/1185359564.db2.gz HNCOMRIYSBUUCB-PLNGDYQASA-N 0 3 304.409 3.252 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001497794311 1185394523 /nfs/dbraw/zinc/39/45/23/1185394523.db2.gz JVOJEHWNLIZFMD-JKSUJKDBSA-N 0 3 318.436 3.098 20 30 DGEDHN CCCCC1(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001498111077 1185436687 /nfs/dbraw/zinc/43/66/87/1185436687.db2.gz ZHIFJXQTRNUPGI-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1ccccc1C(C)C ZINC001498277479 1185463070 /nfs/dbraw/zinc/46/30/70/1185463070.db2.gz SRICQKFMNMEUNC-KRWDZBQOSA-N 0 3 314.473 3.406 20 30 DGEDHN C[C@H](CN(C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)C#CC1CC1 ZINC001498277124 1185463151 /nfs/dbraw/zinc/46/31/51/1185463151.db2.gz PMJFVLKPXXTKPR-KGLIPLIRSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498376086 1185481068 /nfs/dbraw/zinc/48/10/68/1185481068.db2.gz OLONQLIMBADCJE-HNAYVOBHSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cc(F)ccc2s1 ZINC001498447595 1185498068 /nfs/dbraw/zinc/49/80/68/1185498068.db2.gz BOXAAKGRUOAAGR-NSHDSACASA-N 0 3 306.406 3.277 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CCCc1ccc(C)cc1 ZINC001498986312 1185586576 /nfs/dbraw/zinc/58/65/76/1185586576.db2.gz OQVAHTZFFPBSOJ-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001498991467 1185586903 /nfs/dbraw/zinc/58/69/03/1185586903.db2.gz OVJCDVYZMZUOEY-OIAUPDTQSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001499020759 1185591865 /nfs/dbraw/zinc/59/18/65/1185591865.db2.gz IKCNMPVUMRBECU-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001499025062 1185594122 /nfs/dbraw/zinc/59/41/22/1185594122.db2.gz CCYVXMLJPHYNRC-CEXWTWQISA-N 0 3 312.457 3.022 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001499036300 1185596915 /nfs/dbraw/zinc/59/69/15/1185596915.db2.gz BVZXCQPQNHMQSY-SJLPKXTDSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CC1(CC(=O)NC[C@H]2CCN2C[C@@H](CC)OC)CCCCC1 ZINC001499081230 1185606714 /nfs/dbraw/zinc/60/67/14/1185606714.db2.gz WPNVSFRHNLVLPL-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(Cl)cc2C)CC1 ZINC001499178193 1185622940 /nfs/dbraw/zinc/62/29/40/1185622940.db2.gz VBFIWQBQQGRMCN-UHFFFAOYSA-N 0 3 306.837 3.353 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001499237673 1185628764 /nfs/dbraw/zinc/62/87/64/1185628764.db2.gz HKQLQUPCHSLESE-UHFFFAOYSA-N 0 3 315.461 3.039 20 30 DGEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C\Cl)C1 ZINC001499479938 1185655179 /nfs/dbraw/zinc/65/51/79/1185655179.db2.gz AXFYHJXLERQNRX-UOHAWKTFSA-N 0 3 322.880 3.101 20 30 DGEDHN C#CCN(C(=O)CCCC=C)C1CCN(Cc2ccccc2)CC1 ZINC001500048383 1185733717 /nfs/dbraw/zinc/73/37/17/1185733717.db2.gz JTGUINSSVUERKS-UHFFFAOYSA-N 0 3 324.468 3.469 20 30 DGEDHN C=C(C)CC[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001500071074 1185738346 /nfs/dbraw/zinc/73/83/46/1185738346.db2.gz RZTRBBMKLMHACY-QGZVFWFLSA-N 0 3 316.445 3.237 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001500293704 1185771461 /nfs/dbraw/zinc/77/14/61/1185771461.db2.gz ZDUSSHBRSKIJLO-AOTQUWGHSA-N 0 3 316.489 3.215 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001501016565 1185856218 /nfs/dbraw/zinc/85/62/18/1185856218.db2.gz YGMMUROUWNLYFL-SJLPKXTDSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2cccc(F)c2F)C1 ZINC001501543990 1185906627 /nfs/dbraw/zinc/90/66/27/1185906627.db2.gz CQRKMEKTFAPGAE-CQSZACIVSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H](F)C1 ZINC001501665781 1185918208 /nfs/dbraw/zinc/91/82/08/1185918208.db2.gz PTPZDJYDPDNXQV-YOEHRIQHSA-N 0 3 304.409 3.059 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccccc2)cc1 ZINC001501670810 1185919273 /nfs/dbraw/zinc/91/92/73/1185919273.db2.gz PLWIFAJHGCNSIK-INIZCTEOSA-N 0 3 306.409 3.291 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](CC)CC(F)F)cc1 ZINC001501676263 1185920153 /nfs/dbraw/zinc/92/01/53/1185920153.db2.gz JIZYSGUUZDWAKO-UKRRQHHQSA-N 0 3 322.399 3.268 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2nocc2C)CC1 ZINC001501696421 1185923945 /nfs/dbraw/zinc/92/39/45/1185923945.db2.gz AHVPNLAZLSFWKR-WKILWMFISA-N 0 3 319.449 3.104 20 30 DGEDHN CC[C@H](C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502108246 1185953190 /nfs/dbraw/zinc/95/31/90/1185953190.db2.gz ZZMDVNOPVZWCQL-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001502836379 1186021360 /nfs/dbraw/zinc/02/13/60/1186021360.db2.gz OPMWCHKTWKZAMZ-ROUUACIJSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001502967754 1186032375 /nfs/dbraw/zinc/03/23/75/1186032375.db2.gz JLBAAWZXASGHEA-GXTWGEPZSA-N 0 3 321.490 3.133 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001505416187 1186071737 /nfs/dbraw/zinc/07/17/37/1186071737.db2.gz AJZWKGMNPWPUMP-XNFNUYLZSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1cccc2ccccc21 ZINC001505459153 1186088863 /nfs/dbraw/zinc/08/88/63/1186088863.db2.gz LJNLKOKXEKQODX-LJQANCHMSA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001505469703 1186090445 /nfs/dbraw/zinc/09/04/45/1186090445.db2.gz UKOCIXKHJNDXBR-KRWDZBQOSA-N 0 3 323.440 3.404 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC001505513428 1186096841 /nfs/dbraw/zinc/09/68/41/1186096841.db2.gz KRXIBTSTHLIFTM-OVCLIPMQSA-N 0 3 323.440 3.065 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001505547163 1186101328 /nfs/dbraw/zinc/10/13/28/1186101328.db2.gz GOXZHJUKDBWMNQ-GJZGRUSLSA-N 0 3 320.864 3.220 20 30 DGEDHN CC(C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1)=C1CCCC1 ZINC001505585083 1186108452 /nfs/dbraw/zinc/10/84/52/1186108452.db2.gz JOIAKVFBOPQXJS-ZWKOTPCHSA-N 0 3 324.468 3.411 20 30 DGEDHN CC(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1)=C1CCCC1 ZINC001505585080 1186108601 /nfs/dbraw/zinc/10/86/01/1186108601.db2.gz JOIAKVFBOPQXJS-MSOLQXFVSA-N 0 3 324.468 3.411 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1=CCCCCC1 ZINC001505592052 1186109511 /nfs/dbraw/zinc/10/95/11/1186109511.db2.gz RCDJEYYJBLVZEE-MSOLQXFVSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001506579193 1186255997 /nfs/dbraw/zinc/25/59/97/1186255997.db2.gz MDAQAELWYBDUBR-DLBZAZTESA-N 0 3 316.445 3.001 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001506648781 1186268094 /nfs/dbraw/zinc/26/80/94/1186268094.db2.gz GGXYRWSVNGKSGA-OXJNMPFZSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CN(CCc3cccs3)C2)C1 ZINC001506655152 1186269263 /nfs/dbraw/zinc/26/92/63/1186269263.db2.gz RFHQJYAXLREISI-CQSZACIVSA-N 0 3 318.486 3.083 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001506682856 1186274383 /nfs/dbraw/zinc/27/43/83/1186274383.db2.gz OPTWBCBUEXLYPF-LBPRGKRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CCCC2CCCC2)C(C)(C)C1 ZINC001506751189 1186287349 /nfs/dbraw/zinc/28/73/49/1186287349.db2.gz BNQNBQAAMZTPLM-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNCCC[C@H](NC(=O)C1CC1)c1ccccc1 ZINC001506980609 1186333289 /nfs/dbraw/zinc/33/32/89/1186333289.db2.gz WJIUSSFVIXHWOZ-INIZCTEOSA-N 0 3 306.837 3.376 20 30 DGEDHN C[C@H](CN(C)C(=O)CCC1CCC1)NCC#Cc1ccccc1 ZINC001507063091 1186352349 /nfs/dbraw/zinc/35/23/49/1186352349.db2.gz SKSVIEXIVFQNBC-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@]1(C)CC=CCC1)NCC#Cc1ccccc1 ZINC001507079570 1186356122 /nfs/dbraw/zinc/35/61/22/1186356122.db2.gz ZXEUCKQJQNRYSG-GHTZIAJQSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001507128032 1186367709 /nfs/dbraw/zinc/36/77/09/1186367709.db2.gz AGTDAFFRLNPMQC-AEFFLSMTSA-N 0 3 306.494 3.443 20 30 DGEDHN CCC(CC)C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001507298385 1186384459 /nfs/dbraw/zinc/38/44/59/1186384459.db2.gz DZFNLDVOHROHNH-LPHOPBHVSA-N 0 3 312.457 3.053 20 30 DGEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C1CCCCC1 ZINC001507301304 1186384544 /nfs/dbraw/zinc/38/45/44/1186384544.db2.gz QVJALFHAJKVSJX-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)c1cccs1)C(C)C ZINC001507833789 1186449495 /nfs/dbraw/zinc/44/94/95/1186449495.db2.gz GITVWIJWIVMRFK-HNNXBMFYSA-N 0 3 306.475 3.044 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1coc2ccccc21)C(C)C ZINC001507862283 1186451913 /nfs/dbraw/zinc/45/19/13/1186451913.db2.gz PSYXISSNUCVRDB-UHFFFAOYSA-N 0 3 312.413 3.239 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001517046238 1186800124 /nfs/dbraw/zinc/80/01/24/1186800124.db2.gz LYTCAHNGTRMFRT-LLVKDONJSA-N 0 3 316.792 3.256 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(OC(C)C)c1 ZINC001520035332 1186912195 /nfs/dbraw/zinc/91/21/95/1186912195.db2.gz BBATYVYSDKZNSW-MRXNPFEDSA-N 0 3 311.385 3.109 20 30 DGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC001525461967 1187315700 /nfs/dbraw/zinc/31/57/00/1187315700.db2.gz GOBULLZMUNIDTL-JVNHZCFISA-N 0 3 324.424 3.036 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001526595021 1187377314 /nfs/dbraw/zinc/37/73/14/1187377314.db2.gz ULOSJJGXZOPSSK-XJKSGUPXSA-N 0 3 311.385 3.282 20 30 DGEDHN CC(C)C[C@H](C)OCCC(=O)C(C#N)c1ncc(F)cc1F ZINC001527021032 1187406811 /nfs/dbraw/zinc/40/68/11/1187406811.db2.gz XWJAXCKVDGEUEV-AAEUAGOBSA-N 0 3 310.344 3.377 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001529550798 1187566040 /nfs/dbraw/zinc/56/60/40/1187566040.db2.gz NIQFSSKHVNOQOL-MSOLQXFVSA-N 0 3 312.457 3.322 20 30 DGEDHN CC(C)(C)c1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CC1)C2 ZINC001615362734 1193520969 /nfs/dbraw/zinc/52/09/69/1193520969.db2.gz DDZDNCKIHKHHPC-SFHVURJKSA-N 0 3 312.457 3.397 20 30 DGEDHN Cc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc(C)c1C#N ZINC001539232112 1188182426 /nfs/dbraw/zinc/18/24/26/1188182426.db2.gz NIPGIGBPQHYBBH-QGZVFWFLSA-N 0 3 313.445 3.025 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001540832726 1188264335 /nfs/dbraw/zinc/26/43/35/1188264335.db2.gz VXECDRSYRCJUAJ-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1CCCCC(F)(F)F ZINC001567362964 1188981280 /nfs/dbraw/zinc/98/12/80/1188981280.db2.gz KXJQHOWRPVIEKE-CQSZACIVSA-N 0 3 318.383 3.103 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2cccc(F)c2)CCC1 ZINC001556466174 1189002065 /nfs/dbraw/zinc/00/20/65/1189002065.db2.gz LRDYGSBQKDUCNF-UHFFFAOYSA-N 0 3 318.436 3.214 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C(C)=C\c1ccc(C)cc1 ZINC001556467041 1189002516 /nfs/dbraw/zinc/00/25/16/1189002516.db2.gz XLWQTSZNVZXMSE-ICFOKQHNSA-N 0 3 300.446 3.365 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/Sc1ccccc1 ZINC001556467090 1189002693 /nfs/dbraw/zinc/00/26/93/1189002693.db2.gz ZCSKLXQLIZKWBN-RVDMUPIBSA-N 0 3 304.459 3.259 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001556466680 1189003164 /nfs/dbraw/zinc/00/31/64/1189003164.db2.gz IMLKYXFBJZODSP-MSOLQXFVSA-N 0 3 318.436 3.286 20 30 DGEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CCCC2CC2)CC1 ZINC001559743664 1189237001 /nfs/dbraw/zinc/23/70/01/1189237001.db2.gz RAGXMMWXRBEMDT-SFHVURJKSA-N 0 3 301.409 3.198 20 30 DGEDHN CC#CCN1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001560226517 1189295166 /nfs/dbraw/zinc/29/51/66/1189295166.db2.gz SUFSLMRTENZYQL-GOSISDBHSA-N 0 3 306.450 3.265 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc(C(=O)NCC)cc2)c1 ZINC001560265962 1189302644 /nfs/dbraw/zinc/30/26/44/1189302644.db2.gz KTLCVXJCBIOFDZ-UHFFFAOYSA-N 0 3 324.424 3.291 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCc2cccnc2)C1 ZINC001560512370 1189334982 /nfs/dbraw/zinc/33/49/82/1189334982.db2.gz UWIDZHOVLWDOSK-MAUKXSAKSA-N 0 3 307.397 3.442 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1nccn1-c1ccccc1)C2 ZINC001560566247 1189342182 /nfs/dbraw/zinc/34/21/82/1189342182.db2.gz JGANDEAMGQGCCK-GOSISDBHSA-N 0 3 314.392 3.001 20 30 DGEDHN C[C@@H](CCC#N)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001560701501 1189363408 /nfs/dbraw/zinc/36/34/08/1189363408.db2.gz AQNARRJEUATHCD-SOUVJXGZSA-N 0 3 309.454 3.256 20 30 DGEDHN C=C(C)CN(C)Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001560939908 1189408726 /nfs/dbraw/zinc/40/87/26/1189408726.db2.gz VUKNHFCVPPWGCL-UHFFFAOYSA-N 0 3 312.360 3.078 20 30 DGEDHN C=C1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC001564088010 1189548939 /nfs/dbraw/zinc/54/89/39/1189548939.db2.gz FNAMYDIWAIZRCJ-GOSISDBHSA-N 0 3 313.445 3.013 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CCC)c1ccccn1 ZINC001565824551 1189676747 /nfs/dbraw/zinc/67/67/47/1189676747.db2.gz JIMBZSFHPFLZBK-SJORKVTESA-N 0 3 315.461 3.074 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCCC(C)C)cc1 ZINC001565822769 1189676796 /nfs/dbraw/zinc/67/67/96/1189676796.db2.gz MFCFVOKIYCJVGI-LJQANCHMSA-N 0 3 312.457 3.250 20 30 DGEDHN C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001565981180 1189709821 /nfs/dbraw/zinc/70/98/21/1189709821.db2.gz SNBUTTCFODNMRS-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C(CC)CC)C(C)(C)[C@H]21 ZINC001565992968 1189710421 /nfs/dbraw/zinc/71/04/21/1189710421.db2.gz NSCSGETURFGJEZ-IKGGRYGDSA-N 0 3 304.478 3.051 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@H]1C ZINC001566117325 1189738261 /nfs/dbraw/zinc/73/82/61/1189738261.db2.gz MFHSHSFGAWCAGX-DAYGRLMNSA-N 0 3 318.436 3.159 20 30 DGEDHN CCCCCCCNCc1nc2c(s1)CCN(C(=O)CC)C2 ZINC001566124669 1189740612 /nfs/dbraw/zinc/74/06/12/1189740612.db2.gz DIIYVQDAELIWQX-UHFFFAOYSA-N 0 3 323.506 3.498 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C(CCC)CCC)CC(C)(C)C1 ZINC001566131915 1189745406 /nfs/dbraw/zinc/74/54/06/1189745406.db2.gz SCRZJBMUZSXQQM-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001566337675 1189763717 /nfs/dbraw/zinc/76/37/17/1189763717.db2.gz ANQDBXHOQHICFF-LZLYRXPVSA-N 0 3 300.446 3.368 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001566662746 1189848238 /nfs/dbraw/zinc/84/82/38/1189848238.db2.gz IJZUDEKZEIVPRY-OXJNMPFZSA-N 0 3 324.468 3.230 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001566772566 1189897788 /nfs/dbraw/zinc/89/77/88/1189897788.db2.gz YJDJDIHMCBZFHA-GJZGRUSLSA-N 0 3 304.409 3.434 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(CC)c(CCC)s2)C1 ZINC001566778338 1189899623 /nfs/dbraw/zinc/89/96/23/1189899623.db2.gz XXVBZXVCYCMCHJ-HNNXBMFYSA-N 0 3 318.486 3.090 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001566839692 1189919725 /nfs/dbraw/zinc/91/97/25/1189919725.db2.gz GGPKHIWSHNGLGP-GASCZTMLSA-N 0 3 308.372 3.058 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001566855126 1189923619 /nfs/dbraw/zinc/92/36/19/1189923619.db2.gz UNMKXTNWBCBWPT-GASCZTMLSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001566922642 1189953041 /nfs/dbraw/zinc/95/30/41/1189953041.db2.gz BDNRVPDHSCEDSY-INIZCTEOSA-N 0 3 322.399 3.323 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC001566923412 1189953210 /nfs/dbraw/zinc/95/32/10/1189953210.db2.gz RTZVBJBMUXXGEK-DUMMIQTOSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001566924195 1189954904 /nfs/dbraw/zinc/95/49/04/1189954904.db2.gz JDJSPTWAVCGZRC-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001566927602 1189957170 /nfs/dbraw/zinc/95/71/70/1189957170.db2.gz SCRCTXDHHNDROS-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001566929918 1189957671 /nfs/dbraw/zinc/95/76/71/1189957671.db2.gz LYDYTDRZXLEEHM-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@H](C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001566936168 1189960861 /nfs/dbraw/zinc/96/08/61/1189960861.db2.gz JRWWUHPJSXCNJP-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC1CC1 ZINC001566956136 1189966702 /nfs/dbraw/zinc/96/67/02/1189966702.db2.gz SZEJKVSYWDLJRM-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001566975970 1189977238 /nfs/dbraw/zinc/97/72/38/1189977238.db2.gz HAMVIYZMUPZQQK-FEGYBXCISA-N 0 3 324.468 3.349 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001567069996 1190018431 /nfs/dbraw/zinc/01/84/31/1190018431.db2.gz RWTBNHWPEKZGJM-KGLIPLIRSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2nc(C)c(C)s2)C1 ZINC001567158224 1190044668 /nfs/dbraw/zinc/04/46/68/1190044668.db2.gz AAMFMWSVPIMBNA-HUUCEWRRSA-N 0 3 321.490 3.243 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)NCc1c(F)cccc1Cl ZINC001567208511 1190070400 /nfs/dbraw/zinc/07/04/00/1190070400.db2.gz PDBIWICWBKZFBP-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C#CCCCC(=O)NCC[C@H](C)NCc1c(F)cccc1Cl ZINC001567213756 1190074401 /nfs/dbraw/zinc/07/44/01/1190074401.db2.gz BSEAOIZXIFXZRI-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1nc(C)sc1C ZINC001567217614 1190076168 /nfs/dbraw/zinc/07/61/68/1190076168.db2.gz SYPOVOSWPFVXSP-LBPRGKRZSA-N 0 3 309.479 3.101 20 30 DGEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2cc(C)no2)CCCC1 ZINC001567241994 1190088385 /nfs/dbraw/zinc/08/83/85/1190088385.db2.gz QRNAYSVRQPUXEN-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001567320555 1190128962 /nfs/dbraw/zinc/12/89/62/1190128962.db2.gz WCWQSOFHTHZIFH-UHFFFAOYSA-N 0 3 304.478 3.073 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)[C@H]1CCc2c1cccc2F ZINC001567330505 1190134551 /nfs/dbraw/zinc/13/45/51/1190134551.db2.gz NLBUJIIXXYAWLI-SFHVURJKSA-N 0 3 316.420 3.055 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001567382004 1190162595 /nfs/dbraw/zinc/16/25/95/1190162595.db2.gz CTTRTQCYSRUTBM-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001567382727 1190162728 /nfs/dbraw/zinc/16/27/28/1190162728.db2.gz KWDAOPBQJQUMNI-OAHLLOKOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2cc(F)ccc2[nH]1)C1CC1 ZINC001567447129 1190197745 /nfs/dbraw/zinc/19/77/45/1190197745.db2.gz NKGHENIBXMCALI-UHFFFAOYSA-N 0 3 315.392 3.077 20 30 DGEDHN C#CCCCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001567487740 1190208665 /nfs/dbraw/zinc/20/86/65/1190208665.db2.gz IYCQDXSTMSMQEW-ZDUSSCGKSA-N 0 3 324.827 3.392 20 30 DGEDHN CCCC(=O)NCCCN(Cc1cc(C#N)ccc1F)C(C)C ZINC001567636081 1190231877 /nfs/dbraw/zinc/23/18/77/1190231877.db2.gz QTAIXNGMQJTLCM-UHFFFAOYSA-N 0 3 319.424 3.214 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001567674654 1190244733 /nfs/dbraw/zinc/24/47/33/1190244733.db2.gz MMRXBPXWYWBGFE-IYBDPMFKSA-N 0 3 310.457 3.404 20 30 DGEDHN CCCN(C(=O)C#CC(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001567683462 1190250463 /nfs/dbraw/zinc/25/04/63/1190250463.db2.gz WVWSTTYQJLXGMC-IBGZPJMESA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001567850493 1190321068 /nfs/dbraw/zinc/32/10/68/1190321068.db2.gz JYTCTYIXSGWISG-BZSNNMDCSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(C)c1 ZINC001567861343 1190324855 /nfs/dbraw/zinc/32/48/55/1190324855.db2.gz SKEVFEWSYAWZEY-PVAVHDDUSA-N 0 3 316.420 3.388 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001567860625 1190324889 /nfs/dbraw/zinc/32/48/89/1190324889.db2.gz RHEZKCRPKYGVJA-IRXDYDNUSA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(=C)C)CCCC1 ZINC001567866518 1190326138 /nfs/dbraw/zinc/32/61/38/1190326138.db2.gz MWPUHUDOJGGTIS-IRXDYDNUSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCC2 ZINC001567866949 1190327286 /nfs/dbraw/zinc/32/72/86/1190327286.db2.gz VCVGOFILVXVAPH-NJAFHUGGSA-N 0 3 324.468 3.429 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001567944395 1190368656 /nfs/dbraw/zinc/36/86/56/1190368656.db2.gz SXKBRVWIALZFJQ-FQEVSTJZSA-N 0 3 324.468 3.099 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(CC)n2)CCCC1 ZINC001568000693 1190393127 /nfs/dbraw/zinc/39/31/27/1190393127.db2.gz BZSSHJJFTOWOEW-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001568134650 1190432313 /nfs/dbraw/zinc/43/23/13/1190432313.db2.gz DIQOSWRLNZCFEO-MRXNPFEDSA-N 0 3 308.372 3.012 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(OC)cc2)CCCC1 ZINC001568246187 1190461545 /nfs/dbraw/zinc/46/15/45/1190461545.db2.gz ZWRFUEQDUCPFTE-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cccn2C(C)C)CCCC1 ZINC001568246580 1190461695 /nfs/dbraw/zinc/46/16/95/1190461695.db2.gz OWFUHXFKCIHMNP-UHFFFAOYSA-N 0 3 323.868 3.454 20 30 DGEDHN Cc1ccc(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)cc1 ZINC001568314443 1190486757 /nfs/dbraw/zinc/48/67/57/1190486757.db2.gz MPJZMQJKMALHFX-SFHVURJKSA-N 0 3 320.436 3.097 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C1(CC)CCC(F)(F)CC1 ZINC001568487944 1190542243 /nfs/dbraw/zinc/54/22/43/1190542243.db2.gz QLFPHARRHMJJRL-UHFFFAOYSA-N 0 3 302.409 3.168 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1OCC1CC1 ZINC001568551932 1190564489 /nfs/dbraw/zinc/56/44/89/1190564489.db2.gz YSEUINFKDNMNND-UHFFFAOYSA-N 0 3 316.445 3.055 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2cc(C)ccc2n1 ZINC001568551730 1190564573 /nfs/dbraw/zinc/56/45/73/1190564573.db2.gz QGPPLFLLIRNIIL-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(CSC)c1 ZINC001568551467 1190564776 /nfs/dbraw/zinc/56/47/76/1190564776.db2.gz FSTJEIXWOQOILV-UHFFFAOYSA-N 0 3 324.465 3.269 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(CCc2ccccc2)CC1 ZINC001568554192 1190564977 /nfs/dbraw/zinc/56/49/77/1190564977.db2.gz KHBNUTCKIWRTNL-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001568585726 1190565225 /nfs/dbraw/zinc/56/52/25/1190565225.db2.gz YGCDTJJRYWTNEX-KRWDZBQOSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1 ZINC001568712527 1190581167 /nfs/dbraw/zinc/58/11/67/1190581167.db2.gz YVGFQVCBIGWGHL-ZFWWWQNUSA-N 0 3 308.853 3.102 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001568857277 1190595569 /nfs/dbraw/zinc/59/55/69/1190595569.db2.gz SVKYSJIZAXMHLF-WHLIDYPQSA-N 0 3 316.420 3.431 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1sc(C)nc1C ZINC001568914278 1190599354 /nfs/dbraw/zinc/59/93/54/1190599354.db2.gz VRWPHYMHTHFBJD-IJDCCNJMSA-N 0 3 321.490 3.124 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001569247297 1190656571 /nfs/dbraw/zinc/65/65/71/1190656571.db2.gz KQHLXHCUDFOCKT-UONOGXRCSA-N 0 3 302.890 3.495 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCCNCc1cc(O)ccc1Cl ZINC001569230170 1190655076 /nfs/dbraw/zinc/65/50/76/1190655076.db2.gz VDYCSSRVQSSVCY-UHFFFAOYSA-N 0 3 324.852 3.196 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCCc2ccccc2)C1 ZINC001569372311 1190681213 /nfs/dbraw/zinc/68/12/13/1190681213.db2.gz BBDCOHJQXDRGAK-SFHVURJKSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001569376738 1190683069 /nfs/dbraw/zinc/68/30/69/1190683069.db2.gz NPCHZVBEMVXKQP-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001569376804 1190683414 /nfs/dbraw/zinc/68/34/14/1190683414.db2.gz OHHUIDBNIAVXLS-NSHGMRRFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001569412721 1190693217 /nfs/dbraw/zinc/69/32/17/1190693217.db2.gz PLNZMMCGXVPAED-UHFFFAOYSA-N 0 3 304.409 3.085 20 30 DGEDHN C=C[C@@H](CC(=O)NCC1(NC/C=C\Cl)CC1)c1ccccc1 ZINC001569431623 1190697264 /nfs/dbraw/zinc/69/72/64/1190697264.db2.gz XFQGRARINLEFGP-FTXNUJCXSA-N 0 3 318.848 3.337 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001569474068 1190705283 /nfs/dbraw/zinc/70/52/83/1190705283.db2.gz HXHVIZRUANBCAR-OAHLLOKOSA-N 0 3 318.383 3.220 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@H]1C ZINC001569517142 1190712054 /nfs/dbraw/zinc/71/20/54/1190712054.db2.gz PGTHZZDOWIEYRY-JBUYOTSVSA-N 0 3 317.260 3.078 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001569577142 1190719559 /nfs/dbraw/zinc/71/95/59/1190719559.db2.gz GUTUWENYPATZRK-KRWDZBQOSA-N 0 3 322.468 3.289 20 30 DGEDHN C#CCN(C(=O)Cc1ccc(C)cc1)C1CCN(CC(=C)C)CC1 ZINC001569589074 1190720367 /nfs/dbraw/zinc/72/03/67/1190720367.db2.gz YKCZFBVCPIZHRZ-UHFFFAOYSA-N 0 3 324.468 3.040 20 30 DGEDHN C#CCN(C(=O)CC1(C)CCCCC1)C1CCN(CC=C)CC1 ZINC001569589002 1190720482 /nfs/dbraw/zinc/72/04/82/1190720482.db2.gz VRZYJVSJXOFKTA-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C1CCN(CC=C)CC1 ZINC001569595047 1190720788 /nfs/dbraw/zinc/72/07/88/1190720788.db2.gz BJSDNZZTPKGXAK-HKUYNNGSSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001569701913 1190743200 /nfs/dbraw/zinc/74/32/00/1190743200.db2.gz HCOHUKJRFNVECH-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC(=O)NC[C@@]1(C)CCCN(Cc2ncccc2C)C1 ZINC001569711549 1190745858 /nfs/dbraw/zinc/74/58/58/1190745858.db2.gz FAFUCZQXLNVZBD-LJQANCHMSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001569722094 1190749780 /nfs/dbraw/zinc/74/97/80/1190749780.db2.gz GSNWHKLRWPVCOM-IBGZPJMESA-N 0 3 311.429 3.186 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccccc2F)C1 ZINC001569726868 1190751175 /nfs/dbraw/zinc/75/11/75/1190751175.db2.gz VXQLGESOCYMOPH-IBGZPJMESA-N 0 3 318.436 3.163 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](CCNCC(=C)Cl)C2)CCC1 ZINC001570000868 1190780125 /nfs/dbraw/zinc/78/01/25/1190780125.db2.gz VFTLLLIJRMGKNJ-HNNXBMFYSA-N 0 3 310.869 3.314 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CCC(C)C ZINC001570025393 1190782499 /nfs/dbraw/zinc/78/24/99/1190782499.db2.gz FATFTHBPYOLVPP-UHFFFAOYSA-N 0 3 300.446 3.194 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC1(F)F ZINC001570026739 1190784039 /nfs/dbraw/zinc/78/40/39/1190784039.db2.gz IMSRNEVGKYLXQY-INIZCTEOSA-N 0 3 322.399 3.356 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@]2(C)C=CCC2)cc1 ZINC001570031262 1190785205 /nfs/dbraw/zinc/78/52/05/1190785205.db2.gz KNTIQCYXGAJLFJ-UZLBHIALSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)C2CC2)cc1 ZINC001570030912 1190785223 /nfs/dbraw/zinc/78/52/23/1190785223.db2.gz DRHJYQPLRVGEDB-OAHLLOKOSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2CCC(F)CC2)cc1 ZINC001570030996 1190785407 /nfs/dbraw/zinc/78/54/07/1190785407.db2.gz GACKIOUPNFRDTJ-RWBZWWBESA-N 0 3 316.420 3.115 20 30 DGEDHN CCCCC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001570079894 1190791978 /nfs/dbraw/zinc/79/19/78/1190791978.db2.gz VKVAAQHTGXMJAK-CQSZACIVSA-N 0 3 319.474 3.281 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C[C@@H](F)CC)CC2)CCC1 ZINC001570183020 1190810437 /nfs/dbraw/zinc/81/04/37/1190810437.db2.gz AVJKGRHYYSQPPP-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CCc1ccc(C)cc1C ZINC001570204222 1190819922 /nfs/dbraw/zinc/81/99/22/1190819922.db2.gz JCXGRXAVPAWSAB-UHFFFAOYSA-N 0 3 314.473 3.040 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](CC)C(C)C)C2 ZINC001570274509 1190835959 /nfs/dbraw/zinc/83/59/59/1190835959.db2.gz DYUBNNLROVQQGI-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccccc2F)[C@@H](C)C1 ZINC001570341801 1190841239 /nfs/dbraw/zinc/84/12/39/1190841239.db2.gz HIXCMTNECWCIOY-YOEHRIQHSA-N 0 3 304.409 3.119 20 30 DGEDHN CCCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001570388971 1190849472 /nfs/dbraw/zinc/84/94/72/1190849472.db2.gz PDKVSDYILACIME-KRWDZBQOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001570397518 1190852749 /nfs/dbraw/zinc/85/27/49/1190852749.db2.gz JWCDVCLIPKNRNM-DLBZAZTESA-N 0 3 322.493 3.127 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccsc1 ZINC001570435376 1190857598 /nfs/dbraw/zinc/85/75/98/1190857598.db2.gz WHTISYRNPLTPGL-ZBFHGGJFSA-N 0 3 318.486 3.267 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC001570499769 1190870089 /nfs/dbraw/zinc/87/00/89/1190870089.db2.gz DACRULXESOQJIH-UHFFFAOYSA-N 0 3 323.868 3.250 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001570500515 1190870450 /nfs/dbraw/zinc/87/04/50/1190870450.db2.gz UKIKRXVTDVIQIF-AWEZNQCLSA-N 0 3 312.885 3.346 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1csc(C(C)(C)C)n1 ZINC001570541769 1190882629 /nfs/dbraw/zinc/88/26/29/1190882629.db2.gz KGQCZHZQXRJHQT-ZDUSSCGKSA-N 0 3 321.490 3.163 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001570545634 1190884780 /nfs/dbraw/zinc/88/47/80/1190884780.db2.gz WMPJLOIBKNVVIS-DZGCQCFKSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001570604112 1190899072 /nfs/dbraw/zinc/89/90/72/1190899072.db2.gz JBJUEYCRYAEKLV-DLBZAZTESA-N 0 3 312.457 3.123 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(OC)cc1 ZINC001570687758 1190917481 /nfs/dbraw/zinc/91/74/81/1190917481.db2.gz HEDCOARXTBJWKV-UHFFFAOYSA-N 0 3 324.852 3.136 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001570710482 1190925851 /nfs/dbraw/zinc/92/58/51/1190925851.db2.gz IRUGFEASLLGYKH-LSDHHAIUSA-N 0 3 320.864 3.497 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H](F)CC ZINC001570812688 1190954260 /nfs/dbraw/zinc/95/42/60/1190954260.db2.gz VGKFHTURBLRRJS-ZWKOTPCHSA-N 0 3 318.436 3.051 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CC2=CCCCC2)CC1(C)C ZINC001570896261 1190971647 /nfs/dbraw/zinc/97/16/47/1190971647.db2.gz ZWDQWRLTDACKMG-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001571117548 1190983035 /nfs/dbraw/zinc/98/30/35/1190983035.db2.gz DTGXCBROWZPROF-BZUAXINKSA-N 0 3 310.869 3.360 20 30 DGEDHN CCCC(=O)N[C@H](C)CCCNCC#Cc1ccccc1Cl ZINC001571208779 1190985927 /nfs/dbraw/zinc/98/59/27/1190985927.db2.gz KSOCPDWVUALFBP-OAHLLOKOSA-N 0 3 320.864 3.366 20 30 DGEDHN C[C@H](CCCNCc1ccc(C#N)cc1F)NC(=O)C(C)(C)C ZINC001571322362 1190992200 /nfs/dbraw/zinc/99/22/00/1190992200.db2.gz OMYSEBZRRBXHHK-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001571329540 1190993014 /nfs/dbraw/zinc/99/30/14/1190993014.db2.gz GLCUDGZXLMLCJO-IBGZPJMESA-N 0 3 324.468 3.007 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCC(N(C)CCF)CC1)c1ccccc1 ZINC001571335903 1190996839 /nfs/dbraw/zinc/99/68/39/1190996839.db2.gz BHOXFEDHOXYHFH-INIZCTEOSA-N 0 3 318.436 3.239 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC001571490826 1191030248 /nfs/dbraw/zinc/03/02/48/1191030248.db2.gz JIKHLHZKSNUTPL-BEFAXECRSA-N 0 3 306.409 3.056 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001571514464 1191037119 /nfs/dbraw/zinc/03/71/19/1191037119.db2.gz GKMVWAXJGJIHKH-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccns2)[C@H]1C ZINC001571519054 1191040689 /nfs/dbraw/zinc/04/06/89/1191040689.db2.gz NNSZVDWSIJMJFV-HUUCEWRRSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(COC)CCCCC2)[C@H]1C ZINC001571518545 1191040772 /nfs/dbraw/zinc/04/07/72/1191040772.db2.gz GQAVAXAUUXJJOP-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ccns2)[C@@H]1C ZINC001571519053 1191040822 /nfs/dbraw/zinc/04/08/22/1191040822.db2.gz NNSZVDWSIJMJFV-GJZGRUSLSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@H]1CCCC[C@H]1C)C(C)C ZINC001571615611 1191063301 /nfs/dbraw/zinc/06/33/01/1191063301.db2.gz XWIIWGPGBHTQIG-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC001571703268 1191086377 /nfs/dbraw/zinc/08/63/77/1191086377.db2.gz ZXTYMXBKHHBPMI-BFYDXBDKSA-N 0 3 316.420 3.154 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2CCC)c(F)c1 ZINC001571703924 1191086626 /nfs/dbraw/zinc/08/66/26/1191086626.db2.gz ZXKLYKGZOQNBCY-GDBMZVCRSA-N 0 3 304.409 3.154 20 30 DGEDHN C#Cc1cccc(N(CC)C(=O)C[C@@H]2NCc3ccccc32)c1 ZINC001574766923 1191450528 /nfs/dbraw/zinc/45/05/28/1191450528.db2.gz WMWTWOCCNCSWLO-IBGZPJMESA-N 0 3 304.393 3.255 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC)c2cccnc12 ZINC001574857385 1191454589 /nfs/dbraw/zinc/45/45/89/1191454589.db2.gz RODSUBVTVNLHPG-LBPRGKRZSA-N 0 3 319.792 3.042 20 30 DGEDHN CC#CC[C@H](N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001574972674 1191461817 /nfs/dbraw/zinc/46/18/17/1191461817.db2.gz OCYPRKHXNLDNRY-FQEVSTJZSA-N 0 3 320.436 3.066 20 30 DGEDHN CCOC(OCC)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC001621111620 1193803574 /nfs/dbraw/zinc/80/35/74/1193803574.db2.gz KCJXXWWCTKNQGW-CQSZACIVSA-N 0 3 302.418 3.119 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001626744307 1194093394 /nfs/dbraw/zinc/09/33/94/1194093394.db2.gz CLOXJKXFNLMWDJ-ZIAGYGMSSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)c2ccccc2n1 ZINC001626751136 1194093909 /nfs/dbraw/zinc/09/39/09/1194093909.db2.gz UXHZJXLNJVKFFI-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCCCN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001629549153 1194240930 /nfs/dbraw/zinc/24/09/30/1194240930.db2.gz JILXHBIMCMYPJM-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001629800713 1194253776 /nfs/dbraw/zinc/25/37/76/1194253776.db2.gz DORZMVZGKIJUDV-GOSISDBHSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)NCCN(C)Cc1ccccc1 ZINC001630120409 1194270121 /nfs/dbraw/zinc/27/01/21/1194270121.db2.gz QEVKNEYEGTUAGW-UHFFFAOYSA-N 0 3 317.477 3.410 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC001634641187 1194506072 /nfs/dbraw/zinc/50/60/72/1194506072.db2.gz ZJZOCNXSLPFJSQ-HXUWFJFHSA-N 0 3 314.473 3.148 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001635622049 1194562031 /nfs/dbraw/zinc/56/20/31/1194562031.db2.gz KYLHHGDRZVYLAZ-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1csc2c1CC[C@H](C)C2 ZINC001635753382 1194569574 /nfs/dbraw/zinc/56/95/74/1194569574.db2.gz UMOPCLJIJQYSPU-AWEZNQCLSA-N 0 3 320.502 3.453 20 30 DGEDHN C=C(CC)CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001638020470 1194698082 /nfs/dbraw/zinc/69/80/82/1194698082.db2.gz QGEUUJFSSQQCNN-QGZVFWFLSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001640015608 1194791330 /nfs/dbraw/zinc/79/13/30/1194791330.db2.gz FOKQKGDZNUTTCD-AWEZNQCLSA-N 0 3 320.502 3.453 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2c1CCCC2 ZINC001640020591 1194792100 /nfs/dbraw/zinc/79/21/00/1194792100.db2.gz YZOGQXQRROTVKH-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN C[C@@H](C(=O)N([O-])CCCCc1ccccc1)[NH+]1CCCCCC1 ZINC001641861998 1194875794 /nfs/dbraw/zinc/87/57/94/1194875794.db2.gz OAIJFPCKWHYRFC-KRWDZBQOSA-N 0 3 318.461 3.492 20 30 DGEDHN N#CC1(C[C@@H](O)CN[C@@H](c2ccc(F)cc2F)C2CC2)CCC1 ZINC001642433745 1194910365 /nfs/dbraw/zinc/91/03/65/1194910365.db2.gz HZOJTYZVYQKREZ-RHSMWYFYSA-N 0 3 320.383 3.450 20 30 DGEDHN CC1CC(CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001642693255 1194929357 /nfs/dbraw/zinc/92/93/57/1194929357.db2.gz ZNRCTWWEPCZVMQ-JMLCCBQJSA-N 0 3 301.409 3.054 20 30 DGEDHN Cc1ccsc1[C@@H](CO)NCc1c(C)cc(C#N)cc1C ZINC001642834857 1194945076 /nfs/dbraw/zinc/94/50/76/1194945076.db2.gz ZDWDFXVSXMXPSF-MRXNPFEDSA-N 0 3 300.427 3.368 20 30 DGEDHN Cc1ccsc1[C@H](CO)NCc1c(C)cc(C#N)cc1C ZINC001642834856 1194945575 /nfs/dbraw/zinc/94/55/75/1194945575.db2.gz ZDWDFXVSXMXPSF-INIZCTEOSA-N 0 3 300.427 3.368 20 30 DGEDHN C#CCCCCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001643253088 1195008332 /nfs/dbraw/zinc/00/83/32/1195008332.db2.gz BBRJHSMHDQARSA-MOPGFXCFSA-N 0 3 303.421 3.370 20 30 DGEDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc(C#N)ccn1 ZINC001644438137 1195109010 /nfs/dbraw/zinc/10/90/10/1195109010.db2.gz MCSNWGKXWFJPPC-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc(C)c2)C1 ZINC001644688869 1195127016 /nfs/dbraw/zinc/12/70/16/1195127016.db2.gz DSZWCTCFZBRQHY-VQTJNVASSA-N 0 3 324.468 3.335 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCC1 ZINC001644706880 1195128004 /nfs/dbraw/zinc/12/80/04/1195128004.db2.gz HNOWNMJCGHLEKP-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN COc1ccc(C[C@H]2CCN2CCOc2cccc(C#N)c2)cc1 ZINC001644772159 1195133573 /nfs/dbraw/zinc/13/35/73/1195133573.db2.gz PAISDRTULAOZND-GOSISDBHSA-N 0 3 322.408 3.263 20 30 DGEDHN Cc1ccc(NC(=O)CCN2CCC(C)(C#N)CC2)cc1F ZINC001645017870 1195150877 /nfs/dbraw/zinc/15/08/77/1195150877.db2.gz GLHGEOFRNCVRQR-UHFFFAOYSA-N 0 3 303.381 3.088 20 30 DGEDHN N#Cc1c(N)sc2c1CCN(CC[C@H]1CCCC1(F)F)C2 ZINC001648528609 1195307156 /nfs/dbraw/zinc/30/71/56/1195307156.db2.gz FDUXVYPBQIWYGD-SNVBAGLBSA-N 0 3 311.401 3.386 20 30 DGEDHN C[C@H]1CC[C@](CO)(NCc2cccc(C#N)c2)c2ccccc21 ZINC001648621152 1195315447 /nfs/dbraw/zinc/31/54/47/1195315447.db2.gz JRPDKULPOQBSJL-MGPUTAFESA-N 0 3 306.409 3.433 20 30 DGEDHN CC#CCN(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001649397420 1195334668 /nfs/dbraw/zinc/33/46/68/1195334668.db2.gz NZTXOXNUOHXJPT-NRFANRHFSA-N 0 3 305.421 3.346 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nc(C)cs2)C[C@@H]1C ZINC001671245651 1195357367 /nfs/dbraw/zinc/35/73/67/1195357367.db2.gz OHXIVOHSNVFBJX-GJZGRUSLSA-N 0 3 321.490 3.277 20 30 DGEDHN N#CCc1ccc(CNCc2cnc3ccc(Cl)cn23)cc1 ZINC001651260102 1195433999 /nfs/dbraw/zinc/43/39/99/1195433999.db2.gz QAZQTNYZSFMQLA-UHFFFAOYSA-N 0 3 310.788 3.344 20 30 DGEDHN C#CCC[C@H](O)CNCc1ccc(-c2ccccc2)cc1OC ZINC001651499901 1195472042 /nfs/dbraw/zinc/47/20/42/1195472042.db2.gz SLFATZNFVVOUIH-IBGZPJMESA-N 0 3 309.409 3.226 20 30 DGEDHN CSc1ccc(CNCc2cccc3c[nH]nc32)cc1C#N ZINC001651556546 1195479402 /nfs/dbraw/zinc/47/94/02/1195479402.db2.gz JMTTZPLAHXEVPU-UHFFFAOYSA-N 0 3 308.410 3.446 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCSC[C@H]2c2ccccc2)c1 ZINC001652515857 1195610147 /nfs/dbraw/zinc/61/01/47/1195610147.db2.gz QFBPLCWZABKNOO-RBUKOAKNSA-N 0 3 324.449 3.382 20 30 DGEDHN C#CCCN(CCOC)Cc1cc(Br)c(C)s1 ZINC001652874402 1195665330 /nfs/dbraw/zinc/66/53/30/1195665330.db2.gz BXDXUDYROUXURS-UHFFFAOYSA-N 0 3 316.264 3.291 20 30 DGEDHN COCC#CCN1CCC(CCc2ccc(F)cc2F)CC1 ZINC001654059610 1195771725 /nfs/dbraw/zinc/77/17/25/1195771725.db2.gz JEDKONYVUVXWEK-UHFFFAOYSA-N 0 3 307.384 3.259 20 30 DGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC001654449587 1195804932 /nfs/dbraw/zinc/80/49/32/1195804932.db2.gz PODIDIGRQGHNEC-SJORKVTESA-N 0 3 319.832 3.403 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001654527587 1195813422 /nfs/dbraw/zinc/81/34/22/1195813422.db2.gz GTIOKTBESBSRPC-HXUWFJFHSA-N 0 3 316.489 3.255 20 30 DGEDHN C=CCC(C)(C)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC001654605589 1195822815 /nfs/dbraw/zinc/82/28/15/1195822815.db2.gz GJLRUVZZSNCWSU-QGZVFWFLSA-N 0 3 318.461 3.453 20 30 DGEDHN C#CC[C@H]1CCN(Cc2c3ccccc3oc2C(=O)OCC)C1 ZINC001654762143 1195836386 /nfs/dbraw/zinc/83/63/86/1195836386.db2.gz ARCOUGXNFZVRBJ-AWEZNQCLSA-N 0 3 311.381 3.455 20 30 DGEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC001654847182 1195846601 /nfs/dbraw/zinc/84/66/01/1195846601.db2.gz DVEITTXIEZCXJH-YOEHRIQHSA-N 0 3 314.429 3.358 20 30 DGEDHN CC(C)c1ccccc1CN1CCN(c2ccc(C#N)nc2)CC1 ZINC001655521504 1195926624 /nfs/dbraw/zinc/92/66/24/1195926624.db2.gz KQVCKLNBVMDMMS-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(C(C)C)C2)cc1Cl ZINC001655675432 1195948136 /nfs/dbraw/zinc/94/81/36/1195948136.db2.gz QNUPWIXYSZPYFT-CQSZACIVSA-N 0 3 322.836 3.004 20 30 DGEDHN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001655755983 1195960756 /nfs/dbraw/zinc/96/07/56/1195960756.db2.gz 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C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001665732575 1197182794 /nfs/dbraw/zinc/18/27/94/1197182794.db2.gz WBKGYQGWRRRLIR-STQMWFEESA-N 0 3 306.372 3.074 20 30 DGEDHN CC[C@@H](CNC(=O)C=C(C)C)NCC#Cc1ccc(Cl)cc1 ZINC001665754536 1197187854 /nfs/dbraw/zinc/18/78/54/1197187854.db2.gz NXNGLPOZEYHHLK-KRWDZBQOSA-N 0 3 318.848 3.142 20 30 DGEDHN CC[C@H](CNC(=O)C1=CCCCCC1)NCC#Cc1ccccc1 ZINC001665782955 1197196178 /nfs/dbraw/zinc/19/61/78/1197196178.db2.gz XMJOGEXFZCZRHG-HXUWFJFHSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@]2(C)C(C)C)CCCC1 ZINC001665957040 1197220765 /nfs/dbraw/zinc/22/07/65/1197220765.db2.gz ULBXLYTWDBEWEO-GDBMZVCRSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2cnoc2C)CCCC[C@H]1C ZINC001666048188 1197231097 /nfs/dbraw/zinc/23/10/97/1197231097.db2.gz CQHYDIHFAAYWEM-RDTXWAMCSA-N 0 3 319.449 3.104 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)cc1 ZINC001666341163 1197253661 /nfs/dbraw/zinc/25/36/61/1197253661.db2.gz 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1197341519 /nfs/dbraw/zinc/34/15/19/1197341519.db2.gz XPECGEBPYCSSLF-RDJZCZTQSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ncccc1C ZINC001667369820 1197342175 /nfs/dbraw/zinc/34/21/75/1197342175.db2.gz ZRXVOPTXWOTCOW-WMZOPIPTSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccc(C)s1)C(C)C ZINC001667519489 1197356194 /nfs/dbraw/zinc/35/61/94/1197356194.db2.gz HUDMULILDZPRDN-AWEZNQCLSA-N 0 3 314.882 3.082 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1cccc(OC)c1C ZINC001667575117 1197364130 /nfs/dbraw/zinc/36/41/30/1197364130.db2.gz RFLCANJSDLKLEQ-UHFFFAOYSA-N 0 3 318.461 3.250 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)CCc1ccccc1F ZINC001667575884 1197364379 /nfs/dbraw/zinc/36/43/79/1197364379.db2.gz XXNQGOICRUBBRI-UHFFFAOYSA-N 0 3 306.425 3.115 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001667592906 1197366714 /nfs/dbraw/zinc/36/67/14/1197366714.db2.gz WQCQNZLCXOIHOM-UHFFFAOYSA-N 0 3 318.417 3.068 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1sc(C)cc1C ZINC001668076756 1197398623 /nfs/dbraw/zinc/39/86/23/1197398623.db2.gz SRKIBUSEYNRNQG-LLVKDONJSA-N 0 3 300.855 3.215 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2ccncc2c1 ZINC001668268333 1197407515 /nfs/dbraw/zinc/40/75/15/1197407515.db2.gz RPHFCZRAFMOVFX-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C#CCCCC(=O)N(CC)CCNCc1ccc(Cl)c(F)c1 ZINC001668415552 1197413928 /nfs/dbraw/zinc/41/39/28/1197413928.db2.gz MWXGKIDMVIRRMT-UHFFFAOYSA-N 0 3 324.827 3.221 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](CC(C)C)c1ccccc1 ZINC001668577415 1197420135 /nfs/dbraw/zinc/42/01/35/1197420135.db2.gz ANKMNCSUEMREDW-LJQANCHMSA-N 0 3 314.473 3.278 20 30 DGEDHN C#CCNCCN(CC)C(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001668574989 1197420276 /nfs/dbraw/zinc/42/02/76/1197420276.db2.gz OTWPZWKKNAJXSD-SFHVURJKSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001669021533 1197437596 /nfs/dbraw/zinc/43/75/96/1197437596.db2.gz ZLPWXDQFNRWNMI-HPFMTEOYSA-N 0 3 322.399 3.329 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)[C@H](CC)CC1CCCCC1 ZINC001669069869 1197439667 /nfs/dbraw/zinc/43/96/67/1197439667.db2.gz LAVWUIVOALJWNR-QZEKMECESA-N 0 3 304.478 3.268 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cccnc2C)CCCC1 ZINC001669489701 1197458087 /nfs/dbraw/zinc/45/80/87/1197458087.db2.gz MNEIVEPFNGAIOI-OAHLLOKOSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001669799843 1197484424 /nfs/dbraw/zinc/48/44/24/1197484424.db2.gz CCGNXIFXIGBZSH-KSSFIOAISA-N 0 3 316.420 3.053 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cnc(C)o1 ZINC001669955135 1197511420 /nfs/dbraw/zinc/51/14/20/1197511420.db2.gz GEDYNPPIRRWISJ-NVXWUHKLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(C)c(Cl)c2)CC1 ZINC001671419377 1197539263 /nfs/dbraw/zinc/53/92/63/1197539263.db2.gz NEZAFGVECRVWHN-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C[C@@H](CC(=O)NC1(C)CCN(CC#CC)CC1)c1ccccc1 ZINC001671437160 1197540771 /nfs/dbraw/zinc/54/07/71/1197540771.db2.gz LJEWAEGKDPIGBL-SFHVURJKSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CCCCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001671666762 1197559135 /nfs/dbraw/zinc/55/91/35/1197559135.db2.gz JSXZQCAXNNKFTH-QGZVFWFLSA-N 0 3 306.475 3.493 20 30 DGEDHN CC[C@H](F)CN1CCC(C)(CNC(=O)C#CC(C)(C)C)CC1 ZINC001671839171 1197574212 /nfs/dbraw/zinc/57/42/12/1197574212.db2.gz AOFRWPRXLXHULK-HNNXBMFYSA-N 0 3 310.457 3.002 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001671867939 1197576836 /nfs/dbraw/zinc/57/68/36/1197576836.db2.gz LWILWZCVDIFTSO-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001672160554 1197593816 /nfs/dbraw/zinc/59/38/16/1197593816.db2.gz LPYJMOIMCPWQFY-FMRXSRBFSA-N 0 3 310.869 3.310 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001672814620 1197624168 /nfs/dbraw/zinc/62/41/68/1197624168.db2.gz ATMXUVACMNRANP-KGLIPLIRSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC001672821031 1197624391 /nfs/dbraw/zinc/62/43/91/1197624391.db2.gz PVYKJMCSTDRHEK-QGZVFWFLSA-N 0 3 320.864 3.118 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1CC2(CCC2)C1 ZINC001672929452 1197628969 /nfs/dbraw/zinc/62/89/69/1197628969.db2.gz IYLGOEUTCGGYNY-UHFFFAOYSA-N 0 3 324.468 3.338 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC001672978459 1197632218 /nfs/dbraw/zinc/63/22/18/1197632218.db2.gz GDXUETOAHPUUQC-HDJSIYSDSA-N 0 3 321.490 3.120 20 30 DGEDHN CCCCC(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001673144289 1197639792 /nfs/dbraw/zinc/63/97/92/1197639792.db2.gz LXMNZFCGDGTAHL-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2sc(C)nc2C)CCC1 ZINC001673205787 1197643951 /nfs/dbraw/zinc/64/39/51/1197643951.db2.gz GXBYMQCHOWZTFD-UHFFFAOYSA-N 0 3 321.490 3.245 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CCC1 ZINC001673221954 1197644844 /nfs/dbraw/zinc/64/48/44/1197644844.db2.gz NVLVFRJLROOECA-IRXDYDNUSA-N 0 3 318.505 3.491 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001673467337 1197663608 /nfs/dbraw/zinc/66/36/08/1197663608.db2.gz ZUHLRPRQFKGMIL-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H](F)CC ZINC001673632994 1197681441 /nfs/dbraw/zinc/68/14/41/1197681441.db2.gz BMFOYGKGFNOJQN-ZWKOTPCHSA-N 0 3 318.436 3.244 20 30 DGEDHN CCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC001674006021 1197718855 /nfs/dbraw/zinc/71/88/55/1197718855.db2.gz ASVGCJRISJJLQM-KRWDZBQOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccc(C)cc2)C(C)(C)C1 ZINC001674023201 1197723031 /nfs/dbraw/zinc/72/30/31/1197723031.db2.gz KYIFXNJQESYPPQ-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C(C)(C)C1 ZINC001674034108 1197726139 /nfs/dbraw/zinc/72/61/39/1197726139.db2.gz PSMGMVLDJPRGFS-LBPRGKRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCCCC(=O)NCC[C@H](C)NCc1cc(F)ccc1Cl ZINC001674185453 1197743310 /nfs/dbraw/zinc/74/33/10/1197743310.db2.gz LGRGKLNHFXQUFW-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/80/39/13/1197803913.db2.gz HOQACDFBGNHCBB-UHFFFAOYSA-N 0 3 310.869 3.360 20 30 DGEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)CC(C)(C)C ZINC001674632596 1197812047 /nfs/dbraw/zinc/81/20/47/1197812047.db2.gz BZONQZFUSCUXOS-GJZGRUSLSA-N 0 3 318.436 3.096 20 30 DGEDHN C[C@@H](NCc1ccccc1Cl)[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001674668291 1197827276 /nfs/dbraw/zinc/82/72/76/1197827276.db2.gz WXPYDUULENRJBJ-ZIAGYGMSSA-N 0 3 320.864 3.372 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001674667173 1197827754 /nfs/dbraw/zinc/82/77/54/1197827754.db2.gz OYCAHBXEXMQXQH-OLZOCXBDSA-N 0 3 321.490 3.429 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001674839464 1197886897 /nfs/dbraw/zinc/88/68/97/1197886897.db2.gz GJUXAWMHFVITGY-CQSZACIVSA-N 0 3 312.885 3.393 20 30 DGEDHN C[C@H](CNC(=O)/C=C\C(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001674909498 1197914873 /nfs/dbraw/zinc/91/48/73/1197914873.db2.gz ZXPNKTLNDRPCLU-JQPIKURYSA-N 0 3 313.445 3.097 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001675257797 1198024817 /nfs/dbraw/zinc/02/48/17/1198024817.db2.gz HNUBWRSGLBPBSB-MSOLQXFVSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001675269956 1198029818 /nfs/dbraw/zinc/02/98/18/1198029818.db2.gz NALDXFGMPOGNJT-MOPGFXCFSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001675311807 1198041370 /nfs/dbraw/zinc/04/13/70/1198041370.db2.gz OQIHTVRHNGDBRC-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001675348814 1198048831 /nfs/dbraw/zinc/04/88/31/1198048831.db2.gz HXWNFUQEZLZLCV-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001675359605 1198053112 /nfs/dbraw/zinc/05/31/12/1198053112.db2.gz IAQMDMNVEHRXMQ-HNNXBMFYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001675419013 1198061693 /nfs/dbraw/zinc/06/16/93/1198061693.db2.gz XYMIOECHTZHBDF-PMNOOLIMSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCC(=O)N[C@H]1CN(CCc2ccccc2F)CC1(C)C ZINC001675442801 1198067285 /nfs/dbraw/zinc/06/72/85/1198067285.db2.gz VGWNCIDATAMUSH-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CCCCC)C(C)(C)C1 ZINC001675484758 1198079313 /nfs/dbraw/zinc/07/93/13/1198079313.db2.gz BEJHYTUOZPJMLF-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cscc2Cl)C1 ZINC001675756026 1198134555 /nfs/dbraw/zinc/13/45/55/1198134555.db2.gz MCRXMRAILUUHQO-MGCOHNPYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001675827989 1198149368 /nfs/dbraw/zinc/14/93/68/1198149368.db2.gz RSXZCQXSUPCDIJ-KOMQPUFPSA-N 0 3 320.864 3.201 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001675832426 1198151436 /nfs/dbraw/zinc/15/14/36/1198151436.db2.gz MZYGJBSIABBYMN-NWMRNGAKSA-N 0 3 312.885 3.296 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)c1ccccc1 ZINC001675847302 1198154608 /nfs/dbraw/zinc/15/46/08/1198154608.db2.gz FCCZMGQVKZHFHM-INIZCTEOSA-N 0 3 321.424 3.247 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2ccnc(Cl)c2)C1 ZINC001676418188 1198318488 /nfs/dbraw/zinc/31/84/88/1198318488.db2.gz OFBMASMTINRCPK-CYBMUJFWSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cccc(C(C)C)n2)[C@H]1C ZINC001676634257 1198354597 /nfs/dbraw/zinc/35/45/97/1198354597.db2.gz STBJOWRXIDLVKA-CRAIPNDOSA-N 0 3 315.461 3.250 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(C)nc2C)C[C@@H]1C ZINC001676757359 1198382002 /nfs/dbraw/zinc/38/20/02/1198382002.db2.gz XUXLQGGRVMDDNA-MAUKXSAKSA-N 0 3 315.461 3.134 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)CCCCC)CCC[C@H]12 ZINC001676816409 1198400202 /nfs/dbraw/zinc/40/02/02/1198400202.db2.gz RQVOYTICVNXOTC-ZIFCJYIRSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC001677215196 1198491865 /nfs/dbraw/zinc/49/18/65/1198491865.db2.gz FNSRAFVQZQBXPV-MSOLQXFVSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCCC2CC2)CC[C@@H]1C(F)(F)F ZINC001677376576 1198525700 /nfs/dbraw/zinc/52/57/00/1198525700.db2.gz WQLITBILTDUKJK-KBPBESRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)/C=C(/C)C2CC2)c(F)c1 ZINC001677640281 1198566566 /nfs/dbraw/zinc/56/65/66/1198566566.db2.gz JTIJZQYWYAQGGE-LCYFTJDESA-N 0 3 302.393 3.074 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CC[C@@H](C)C2)c(F)c1 ZINC001677648336 1198567658 /nfs/dbraw/zinc/56/76/58/1198567658.db2.gz MDMSTXWQJLPECN-HIFRSBDPSA-N 0 3 304.409 3.154 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2(C)C(C)(C)C2(C)C)CC1 ZINC001678374450 1198675257 /nfs/dbraw/zinc/67/52/57/1198675257.db2.gz VUQNXRKFFIKZPT-UHFFFAOYSA-N 0 3 307.482 3.151 20 30 DGEDHN C#CCN(C)CCCNC(=O)N(CC(C)(C)C)CC(C)(C)C ZINC001682794311 1199199614 /nfs/dbraw/zinc/19/96/14/1199199614.db2.gz FLPCQFDLNFQUCD-UHFFFAOYSA-N 0 3 309.498 3.045 20 30 DGEDHN C=CC(C)(C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001682990680 1199222939 /nfs/dbraw/zinc/22/29/39/1199222939.db2.gz NYDOMYNJJINSJU-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C(C)(C)C)s1 ZINC001689889954 1199492913 /nfs/dbraw/zinc/49/29/13/1199492913.db2.gz FBMZLKMYQNKAKX-UHFFFAOYSA-N 0 3 306.475 3.121 20 30 DGEDHN C=C[C@H](C)NC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001685704003 1199500557 /nfs/dbraw/zinc/50/05/57/1199500557.db2.gz HQKSQNHAUKIAIO-INIZCTEOSA-N 0 3 323.440 3.239 20 30 DGEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1ncccc1C#N ZINC000404310782 1199548846 /nfs/dbraw/zinc/54/88/46/1199548846.db2.gz KWXMCFBRYNBFCM-GVDBMIGSSA-N 0 3 320.440 3.441 20 30 DGEDHN N#Cc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1F ZINC000404679048 1199576888 /nfs/dbraw/zinc/57/68/88/1199576888.db2.gz JEPVDCBXNTWPGO-UHFFFAOYSA-N 0 3 305.356 3.411 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001688878960 1199939433 /nfs/dbraw/zinc/93/94/33/1199939433.db2.gz SSIZLBVILAJTPE-RBUKOAKNSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1occc1Cl ZINC001688886736 1199943373 /nfs/dbraw/zinc/94/33/73/1199943373.db2.gz WDECTNSMBZVGIZ-CHWSQXEVSA-N 0 3 310.825 3.434 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001688894535 1199948181 /nfs/dbraw/zinc/94/81/81/1199948181.db2.gz ZVUPOMUUNHGJEI-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001688898645 1199950499 /nfs/dbraw/zinc/95/04/99/1199950499.db2.gz ZLFXFPYPGWKZQK-QGZVFWFLSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1ocnc1C ZINC001689041390 1200003325 /nfs/dbraw/zinc/00/33/25/1200003325.db2.gz IDYNWISQHYMLMP-GOEBONIOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(C(F)(F)F)CCCC2)[C@H]1CC ZINC001689199915 1200058884 /nfs/dbraw/zinc/05/88/84/1200058884.db2.gz MXBFUQADZOQNRV-QWHCGFSZSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nccc2ccccc21 ZINC001753993847 1200061934 /nfs/dbraw/zinc/06/19/34/1200061934.db2.gz KUQNNMJNTDQZMV-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1sc(C)cc1C ZINC001754018460 1200073262 /nfs/dbraw/zinc/07/32/62/1200073262.db2.gz SIDCRQIFKYQHMR-LBPRGKRZSA-N 0 3 314.882 3.144 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(F)c2ccccc12 ZINC001754068441 1200093181 /nfs/dbraw/zinc/09/31/81/1200093181.db2.gz KOECMMWWBGCYSG-UHFFFAOYSA-N 0 3 312.388 3.054 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1oc(C(C)C)nc1C ZINC001689352511 1200106103 /nfs/dbraw/zinc/10/61/03/1200106103.db2.gz GSTMVSRNKNRAPA-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CNCc1ccc(Cl)c(F)c1 ZINC001754116989 1200108730 /nfs/dbraw/zinc/10/87/30/1200108730.db2.gz ZTFYASYCDGWHBL-WAYWQWQTSA-N 0 3 322.811 3.045 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC2(C)CCCC2)CC(C)(C)C1 ZINC001689363698 1200111716 /nfs/dbraw/zinc/11/17/16/1200111716.db2.gz YJAVGWRKLMKJJM-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)C(CC)CC)CC(C)(C)C1 ZINC001689363237 1200112548 /nfs/dbraw/zinc/11/25/48/1200112548.db2.gz PRCAAIBCJNBQOR-WBVHZDCISA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001754324566 1200213635 /nfs/dbraw/zinc/21/36/35/1200213635.db2.gz AIZWHDVCZPDLJW-FUHWJXTLSA-N 0 3 302.462 3.124 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001754324567 1200215217 /nfs/dbraw/zinc/21/52/17/1200215217.db2.gz AIZWHDVCZPDLJW-SJLPKXTDSA-N 0 3 302.462 3.124 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1c(C)cccc1Cl ZINC001698596847 1200237453 /nfs/dbraw/zinc/23/74/53/1200237453.db2.gz NQTIFJRDOXSAIU-HNNXBMFYSA-N 0 3 318.848 3.046 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754448925 1200268098 /nfs/dbraw/zinc/26/80/98/1200268098.db2.gz IOKLMQCFCDZNKS-OWMRDYPQSA-N 0 3 322.452 3.045 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1cnccc1C ZINC001754479353 1200292157 /nfs/dbraw/zinc/29/21/57/1200292157.db2.gz XXMVXABMLSEFAZ-INIZCTEOSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC1CC(c2ccccc2)C1 ZINC001754487921 1200295719 /nfs/dbraw/zinc/29/57/19/1200295719.db2.gz SLQJXJWUWZOTTI-KVZIAJEVSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCCc1ccsc1 ZINC001754486338 1200295892 /nfs/dbraw/zinc/29/58/92/1200295892.db2.gz NFNNRQJWSKBOIY-MRXNPFEDSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001754487205 1200297626 /nfs/dbraw/zinc/29/76/26/1200297626.db2.gz DWBRJFQMZCGPQH-HRCADAONSA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC001754488684 1200298992 /nfs/dbraw/zinc/29/89/92/1200298992.db2.gz IPKBWNKZYWRFTI-OAHLLOKOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cccc(Cl)c1 ZINC001754492346 1200302485 /nfs/dbraw/zinc/30/24/85/1200302485.db2.gz ANSDBBVANGFPHZ-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001754493267 1200305302 /nfs/dbraw/zinc/30/53/02/1200305302.db2.gz TYUFVOXLYHRYIT-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001689876119 1200311586 /nfs/dbraw/zinc/31/15/86/1200311586.db2.gz PEFORLLSOFXHDF-SFHVURJKSA-N 0 3 314.473 3.025 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001754503376 1200319214 /nfs/dbraw/zinc/31/92/14/1200319214.db2.gz VJKOFTRKOGTGKX-INIZCTEOSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001689895719 1200319487 /nfs/dbraw/zinc/31/94/87/1200319487.db2.gz BIOIYQOESBASHN-ZBFHGGJFSA-N 0 3 321.852 3.115 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](CC)OC2CCCCC2)CC1 ZINC001690022176 1200371457 /nfs/dbraw/zinc/37/14/57/1200371457.db2.gz WLBXBGGBDXTUFA-SFHVURJKSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CC[C@H](C)F)C2)CCCC1 ZINC001690051990 1200388119 /nfs/dbraw/zinc/38/81/19/1200388119.db2.gz DSBDDPWOBLNKOU-JKSUJKDBSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC001690110818 1200404395 /nfs/dbraw/zinc/40/43/95/1200404395.db2.gz AFEDFQOHKPBCBG-CQSZACIVSA-N 0 3 316.376 3.342 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC001754629861 1200406759 /nfs/dbraw/zinc/40/67/59/1200406759.db2.gz NZHCZYQUPDARDQ-KRWDZBQOSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001754629035 1200407539 /nfs/dbraw/zinc/40/75/39/1200407539.db2.gz OTMRTANXWQRGHE-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001690128520 1200410262 /nfs/dbraw/zinc/41/02/62/1200410262.db2.gz QNEPBANPOISMMY-SJORKVTESA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001690131750 1200412121 /nfs/dbraw/zinc/41/21/21/1200412121.db2.gz YQFMBEPJDFJGGH-MSOLQXFVSA-N 0 3 318.505 3.443 20 30 DGEDHN CC(C)(C)/C=C\C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001690144910 1200421087 /nfs/dbraw/zinc/42/10/87/1200421087.db2.gz IMAFWIOQQMHCKR-QQBSYFJQSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001690166390 1200428870 /nfs/dbraw/zinc/42/88/70/1200428870.db2.gz CYDAKILKDKUXGF-FPOVZHCZSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001754691126 1200449503 /nfs/dbraw/zinc/44/95/03/1200449503.db2.gz VJGGTPAJGGSFEU-UNJUUPHPSA-N 0 3 305.249 3.100 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 ZINC001690211539 1200455698 /nfs/dbraw/zinc/45/56/98/1200455698.db2.gz DDDZSNVOYIWHKQ-OKILXGFUSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001690213834 1200456898 /nfs/dbraw/zinc/45/68/98/1200456898.db2.gz OOWGAXCJYFFUMZ-NTDBWNAOSA-N 0 3 304.478 3.310 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001754723823 1200468862 /nfs/dbraw/zinc/46/88/62/1200468862.db2.gz NQKQFNWBGQOXOX-IBGZPJMESA-N 0 3 304.478 3.198 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001690277842 1200472748 /nfs/dbraw/zinc/47/27/48/1200472748.db2.gz LPSSUAQURZLSKV-RBSFLKMASA-N 0 3 304.409 3.480 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)cc2F)C1 ZINC001754729937 1200474913 /nfs/dbraw/zinc/47/49/13/1200474913.db2.gz AGBQAIIMBXSFNS-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)cc2F)C1 ZINC001754729938 1200476074 /nfs/dbraw/zinc/47/60/74/1200476074.db2.gz AGBQAIIMBXSFNS-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001754735104 1200479589 /nfs/dbraw/zinc/47/95/89/1200479589.db2.gz UYLUMNTUXDDGKD-UHYCVJNDSA-N 0 3 318.505 3.300 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1CC ZINC001754785439 1200488115 /nfs/dbraw/zinc/48/81/15/1200488115.db2.gz MAWCJCJXCFMYPE-SJORKVTESA-N 0 3 306.425 3.176 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C)CC1)c1ccccc1CC ZINC001754786328 1200489727 /nfs/dbraw/zinc/48/97/27/1200489727.db2.gz XBPBNVGALYRVIQ-KRWDZBQOSA-N 0 3 300.446 3.372 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1CC ZINC001754788364 1200491136 /nfs/dbraw/zinc/49/11/36/1200491136.db2.gz CJHVMJIIHZBHFZ-RBUKOAKNSA-N 0 3 324.468 3.209 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCC(C)(C)C ZINC001754866545 1200523848 /nfs/dbraw/zinc/52/38/48/1200523848.db2.gz ZZXFPSFSKOBMOB-IAGOWNOFSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001754916796 1200536363 /nfs/dbraw/zinc/53/63/63/1200536363.db2.gz CJUUGXSTIGOOFF-AWEZNQCLSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001754930516 1200540894 /nfs/dbraw/zinc/54/08/94/1200540894.db2.gz JKRBBLFQLQVFMS-NFOMZHRRSA-N 0 3 316.848 3.095 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC001754947211 1200548475 /nfs/dbraw/zinc/54/84/75/1200548475.db2.gz HMTPYAOFFWYMSS-YAJHFMINSA-N 0 3 322.452 3.189 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)c(C)o2)cc1 ZINC001754948480 1200550995 /nfs/dbraw/zinc/55/09/95/1200550995.db2.gz ZGXJUJSWLVRCRC-AWEZNQCLSA-N 0 3 310.397 3.110 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)CC(C)(C)C)C2)CC1 ZINC001754961484 1200558969 /nfs/dbraw/zinc/55/89/69/1200558969.db2.gz VNBGGCCINIQFOV-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H]1CCC(F)(F)C1 ZINC001690448934 1200562966 /nfs/dbraw/zinc/56/29/66/1200562966.db2.gz UYNVPCLGSPLKOG-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1ccsc1 ZINC001690449057 1200564231 /nfs/dbraw/zinc/56/42/31/1200564231.db2.gz XFLNLYRTJRIMOE-MRXNPFEDSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cc2ccccc2o1 ZINC001690450226 1200564659 /nfs/dbraw/zinc/56/46/59/1200564659.db2.gz CSHHXNXRWJFOLT-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1sc(C)cc1C ZINC001690459517 1200571847 /nfs/dbraw/zinc/57/18/47/1200571847.db2.gz PROGNFRXWMBOIJ-HNNXBMFYSA-N 0 3 306.475 3.064 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C)cc1Cl ZINC001755042822 1200611553 /nfs/dbraw/zinc/61/15/53/1200611553.db2.gz FNIUVAZYUUKOAW-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCCC ZINC001755074124 1200627409 /nfs/dbraw/zinc/62/74/09/1200627409.db2.gz PMQXHPIKOQYNGF-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001755169211 1200673988 /nfs/dbraw/zinc/67/39/88/1200673988.db2.gz LKTUGFFUDMDMST-WBVHZDCISA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CCCC ZINC001755171645 1200677538 /nfs/dbraw/zinc/67/75/38/1200677538.db2.gz AWFHFMHJQBRQGY-SFHVURJKSA-N 0 3 300.446 3.468 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001755172137 1200677968 /nfs/dbraw/zinc/67/79/68/1200677968.db2.gz KPBIWHFEPLAWQZ-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2c3ccccc3CCN2CCC)C1 ZINC001755172335 1200678850 /nfs/dbraw/zinc/67/88/50/1200678850.db2.gz OTFLXCGCTGDYSQ-SFHVURJKSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001755172046 1200679116 /nfs/dbraw/zinc/67/91/16/1200679116.db2.gz JATQOMSHJYHIEI-GOSISDBHSA-N 0 3 300.446 3.467 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C(CCC)CCC)CCO2 ZINC001755173891 1200679910 /nfs/dbraw/zinc/67/99/10/1200679910.db2.gz JIUHWOAJRIPAPU-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1 ZINC001755174683 1200680056 /nfs/dbraw/zinc/68/00/56/1200680056.db2.gz SNKJFTRGOOIABZ-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001690710445 1200687570 /nfs/dbraw/zinc/68/75/70/1200687570.db2.gz MZJUHOWPPXGQFI-YFBAIUBQSA-N 0 3 319.276 3.346 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001690762589 1200702978 /nfs/dbraw/zinc/70/29/78/1200702978.db2.gz NLWBNBWFHQSOIS-QZTJIDSGSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2nc(C)cs2)C1 ZINC001690776714 1200708945 /nfs/dbraw/zinc/70/89/45/1200708945.db2.gz BZAJYTQQZVIVNN-KBPBESRZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)CC2CCC2)cc1 ZINC001690793593 1200716977 /nfs/dbraw/zinc/71/69/77/1200716977.db2.gz WAYUNGJKZWNSFZ-UHFFFAOYSA-N 0 3 320.864 3.378 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001690814207 1200728279 /nfs/dbraw/zinc/72/82/79/1200728279.db2.gz CCQAKDKXXGUESA-ICSRJNTNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001755247907 1200732384 /nfs/dbraw/zinc/73/23/84/1200732384.db2.gz FRGGNOBYTLSMHY-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2ccccc2F)C1 ZINC001755252485 1200737715 /nfs/dbraw/zinc/73/77/15/1200737715.db2.gz IJOMLKYQIBJGNL-KGLIPLIRSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001690844993 1200746893 /nfs/dbraw/zinc/74/68/93/1200746893.db2.gz WBWIVYSTXYENNS-HNNXBMFYSA-N 0 3 313.445 3.145 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@H]1CCc2c1cccc2Cl ZINC001690936369 1200796180 /nfs/dbraw/zinc/79/61/80/1200796180.db2.gz ARJJRKRWHSGQDO-KRWDZBQOSA-N 0 3 318.848 3.179 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC001691793135 1200810809 /nfs/dbraw/zinc/81/08/09/1200810809.db2.gz UHRHHCWMFZMZJT-OKYOBFRVSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(CC)cc1)c1ccccc1 ZINC001691800609 1200813617 /nfs/dbraw/zinc/81/36/17/1200813617.db2.gz KCMBVTHAZSJUOF-LJQANCHMSA-N 0 3 308.425 3.496 20 30 DGEDHN C=CCOCC(=O)N(CCC)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001691846438 1200835316 /nfs/dbraw/zinc/83/53/16/1200835316.db2.gz XFNLEUAZWAHFBA-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cc(C(C)C)on2)C1 ZINC001691855950 1200840679 /nfs/dbraw/zinc/84/06/79/1200840679.db2.gz CUPAGNUOUDMSHP-HNNXBMFYSA-N 0 3 319.449 3.301 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001755384281 1200867765 /nfs/dbraw/zinc/86/77/65/1200867765.db2.gz NWUURENSIPTQBO-IAGOWNOFSA-N 0 3 314.473 3.268 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(CC)CC2)C1 ZINC001691931882 1200877883 /nfs/dbraw/zinc/87/78/83/1200877883.db2.gz IZAGUPSKXGQFBS-RTBURBONSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2sc(C)nc2C)[C@@H]1CC ZINC001691954412 1200885463 /nfs/dbraw/zinc/88/54/63/1200885463.db2.gz HZAWCKIXIOPXCM-LSDHHAIUSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCC(C)C)C2)CC1 ZINC001691958630 1200887382 /nfs/dbraw/zinc/88/73/82/1200887382.db2.gz YUPSHSLBKFIESV-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755415226 1200890302 /nfs/dbraw/zinc/89/03/02/1200890302.db2.gz GJQPPYVGLJCTFG-YOEHRIQHSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1CN(CC(=C)C)CC1(C)C)c1ccccc1 ZINC001755416833 1200891454 /nfs/dbraw/zinc/89/14/54/1200891454.db2.gz XNSOZBBRIDOPTA-ROUUACIJSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755415223 1200892175 /nfs/dbraw/zinc/89/21/75/1200892175.db2.gz GJQPPYVGLJCTFG-PBHICJAKSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)CCC)C[C@]2(C)C1 ZINC001755460884 1200905733 /nfs/dbraw/zinc/90/57/33/1200905733.db2.gz OGEDWIWJFQVRNL-QRQLOZEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C[C@@H]1C[C@H]1C(=O)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001692124032 1200939772 /nfs/dbraw/zinc/93/97/72/1200939772.db2.gz HXQXGNLHXFHFMM-YZGWKJHDSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001692191851 1200964107 /nfs/dbraw/zinc/96/41/07/1200964107.db2.gz YVKZPWUVPRDCAI-WBVHZDCISA-N 0 3 300.446 3.286 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1F ZINC001755600779 1200980583 /nfs/dbraw/zinc/98/05/83/1200980583.db2.gz HPJKOLOBNVLVAH-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001692254642 1200988966 /nfs/dbraw/zinc/98/89/66/1200988966.db2.gz MGFGGBPVVBEWOJ-YESZJQIVSA-N 0 3 318.486 3.351 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(Cl)cn1CC ZINC001692263833 1200993577 /nfs/dbraw/zinc/99/35/77/1200993577.db2.gz SEUJYXZGHRBUJQ-HNNXBMFYSA-N 0 3 323.868 3.274 20 30 DGEDHN CC[C@@H](F)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)CC(C)(C)C1 ZINC001692275440 1201000696 /nfs/dbraw/zinc/00/06/96/1201000696.db2.gz HEBNUGCZYQGMOC-HZPDHXFCSA-N 0 3 324.484 3.391 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001692310995 1201010261 /nfs/dbraw/zinc/01/02/61/1201010261.db2.gz RTVZSLXDAYHJHH-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1cccc(C)c1 ZINC001692357643 1201034358 /nfs/dbraw/zinc/03/43/58/1201034358.db2.gz BXFFUWCVZGMJSH-OALUTQOASA-N 0 3 312.457 3.179 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001692362705 1201038508 /nfs/dbraw/zinc/03/85/08/1201038508.db2.gz MWFIYSMJROTIOM-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C/Cc1ccccc1 ZINC001692369239 1201040243 /nfs/dbraw/zinc/04/02/43/1201040243.db2.gz XXTQJMUOCLDVCT-RLFQVEEXSA-N 0 3 324.468 3.427 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2sc(C)nc2C)[C@@H]1C ZINC001755722786 1201043677 /nfs/dbraw/zinc/04/36/77/1201043677.db2.gz TWUXVLUTHLMPEA-ZFWWWQNUSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Cc1ccccc1 ZINC001755723218 1201045132 /nfs/dbraw/zinc/04/51/32/1201045132.db2.gz NJRKVGBLNSMGIH-XOKHGSTOSA-N 0 3 320.864 3.102 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=C(C)CC1 ZINC001692384493 1201046316 /nfs/dbraw/zinc/04/63/16/1201046316.db2.gz OZCYACXHEPCZQL-JENIJYKNSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC001755756388 1201063973 /nfs/dbraw/zinc/06/39/73/1201063973.db2.gz CBZGCUXOHKCLRK-CQSZACIVSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1cc(C)ccc1C)C(C)C ZINC001755812097 1201075398 /nfs/dbraw/zinc/07/53/98/1201075398.db2.gz IFCRCGBSHIBZGI-UHFFFAOYSA-N 0 3 302.462 3.201 20 30 DGEDHN Cc1ccccc1CN(C)CCN(C(=O)C#CC1CC1)C(C)C ZINC001755810984 1201075987 /nfs/dbraw/zinc/07/59/87/1201075987.db2.gz SYARBVZRUPUJLX-UHFFFAOYSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc2c(c1)COC2)C(C)C ZINC001755814516 1201079551 /nfs/dbraw/zinc/07/95/51/1201079551.db2.gz FEBYGMMHKWXHQR-UHFFFAOYSA-N 0 3 316.445 3.075 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(C)C ZINC001755814243 1201080111 /nfs/dbraw/zinc/08/01/11/1201080111.db2.gz URLZIZBALIIBDK-MSOLQXFVSA-N 0 3 322.493 3.079 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001755820465 1201087145 /nfs/dbraw/zinc/08/71/45/1201087145.db2.gz QGYAJRAOXNXNHV-SCFNNSENSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1c(C)noc1C)C(C)(C)C ZINC001755826014 1201091253 /nfs/dbraw/zinc/09/12/53/1201091253.db2.gz ZBGIQCQFBGSPSL-MRXNPFEDSA-N 0 3 321.465 3.268 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001755831525 1201094094 /nfs/dbraw/zinc/09/40/94/1201094094.db2.gz YQEFAXWPAIHFLJ-HNNXBMFYSA-N 0 3 321.440 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)Cc2ccccc2C)CC1 ZINC001755899609 1201125321 /nfs/dbraw/zinc/12/53/21/1201125321.db2.gz RDXMJJQVZDYXPW-KRWDZBQOSA-N 0 3 312.457 3.108 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001698578598 1201250844 /nfs/dbraw/zinc/25/08/44/1201250844.db2.gz WCDJQHBKEGDHSC-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN C#CCCCCCC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001698586307 1201261497 /nfs/dbraw/zinc/26/14/97/1201261497.db2.gz VOSKTWNBNBSFGY-SFHVURJKSA-N 0 3 304.478 3.459 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1cc(F)cc(F)c1 ZINC001698599875 1201271174 /nfs/dbraw/zinc/27/11/74/1201271174.db2.gz HHCUELWWOLIZBF-MRXNPFEDSA-N 0 3 310.388 3.306 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1cnc(C)s1 ZINC001698599513 1201271439 /nfs/dbraw/zinc/27/14/39/1201271439.db2.gz DJLQFNMQGSFTEP-ZDUSSCGKSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001698611539 1201281274 /nfs/dbraw/zinc/28/12/74/1201281274.db2.gz ZHPVBDNPDVJTDU-CNTYAEFGSA-N 0 3 317.458 3.127 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H](CC)NCc1ccccn1)c1ccccc1 ZINC001698619066 1201290187 /nfs/dbraw/zinc/29/01/87/1201290187.db2.gz MMLPUEKCDYPIQI-IEBWSBKVSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccccc2C)CCCC1 ZINC001698624720 1201295445 /nfs/dbraw/zinc/29/54/45/1201295445.db2.gz YZRCNMKLJQERAZ-UHFFFAOYSA-N 0 3 306.837 3.380 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1(CNCc2conc2C)CCCC1 ZINC001698636253 1201302668 /nfs/dbraw/zinc/30/26/68/1201302668.db2.gz IKTXVLNOPFNQDV-OAHLLOKOSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2[nH]ccc2C)CCCC[C@H]1C ZINC001698652284 1201316588 /nfs/dbraw/zinc/31/65/88/1201316588.db2.gz CPZDMEIHSWWHMO-DYVFJYSZSA-N 0 3 323.868 3.344 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccoc2)CCCC[C@H]1C ZINC001698657262 1201322140 /nfs/dbraw/zinc/32/21/40/1201322140.db2.gz PUWVXIPMOYHKEQ-WBMJQRKESA-N 0 3 310.825 3.300 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001698660631 1201323934 /nfs/dbraw/zinc/32/39/34/1201323934.db2.gz HFVWHSJBXNLWAN-CQSZACIVSA-N 0 3 310.825 3.172 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H](C)SC)C1 ZINC001698685994 1201333850 /nfs/dbraw/zinc/33/38/50/1201333850.db2.gz FIUHGWHVNRDGLS-ZIAGYGMSSA-N 0 3 318.914 3.099 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001698727878 1201370950 /nfs/dbraw/zinc/37/09/50/1201370950.db2.gz SXRWZKCEGPEEAB-GFCCVEGCSA-N 0 3 312.866 3.448 20 30 DGEDHN C=CCCC(=O)N1CCC2(CN(Cc3cccc(C)c3)C2)CC1 ZINC001698806658 1201437774 /nfs/dbraw/zinc/43/77/74/1201437774.db2.gz JZLAYZDNVRZKMC-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C#CCCCCCC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001698808549 1201440723 /nfs/dbraw/zinc/44/07/23/1201440723.db2.gz LKAOPKLJKBCTDJ-UHFFFAOYSA-N 0 3 316.489 3.461 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001698910924 1201571499 /nfs/dbraw/zinc/57/14/99/1201571499.db2.gz YGOGDIPEKUNZKV-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1ccccc1F)C(C)C ZINC001698959249 1201611629 /nfs/dbraw/zinc/61/16/29/1201611629.db2.gz DEDKIGPQDVHPCQ-KRWDZBQOSA-N 0 3 306.425 3.412 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1cnc(C)s1)C(C)C ZINC001698960876 1201612440 /nfs/dbraw/zinc/61/24/40/1201612440.db2.gz JPUUODHZKSKTOZ-HNNXBMFYSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccccc1CC)C(C)C ZINC001698968981 1201624150 /nfs/dbraw/zinc/62/41/50/1201624150.db2.gz UETNKLCTMICUKS-KRWDZBQOSA-N 0 3 322.880 3.274 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001698990390 1201655058 /nfs/dbraw/zinc/65/50/58/1201655058.db2.gz BMYWKGDQADUWHB-UHFFFAOYSA-N 0 3 302.443 3.400 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@@H]2CC[C@@H](C)O2)CCCC1 ZINC001699006656 1201676569 /nfs/dbraw/zinc/67/65/69/1201676569.db2.gz RXZYBOVRXGJXOV-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@H]2CC[C@@H](C)O2)CCCC1 ZINC001699006654 1201677726 /nfs/dbraw/zinc/67/77/26/1201677726.db2.gz RXZYBOVRXGJXOV-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)CC=C(C)C ZINC001750933567 1201729196 /nfs/dbraw/zinc/72/91/96/1201729196.db2.gz DEYLJZKKWZRNFC-ROUUACIJSA-N 0 3 322.493 3.247 20 30 DGEDHN CCN(CC#Cc1ccccc1Cl)CCCNC(=O)C(C)C ZINC001752165562 1201791238 /nfs/dbraw/zinc/79/12/38/1201791238.db2.gz NYXYOSVXVBFCJY-UHFFFAOYSA-N 0 3 320.864 3.176 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001752431617 1201835481 /nfs/dbraw/zinc/83/54/81/1201835481.db2.gz NFVFBEVURDWRGT-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001752439467 1201839305 /nfs/dbraw/zinc/83/93/05/1201839305.db2.gz FUCVOVXJXMXZGR-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC001752524108 1201869943 /nfs/dbraw/zinc/86/99/43/1201869943.db2.gz AHJCCXWLVZZPIS-HRCADAONSA-N 0 3 316.420 3.469 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCCC ZINC001752532401 1201870880 /nfs/dbraw/zinc/87/08/80/1201870880.db2.gz PFVOSECWLCSLLJ-TVFCKZIOSA-N 0 3 322.493 3.222 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(N(C)C)c1 ZINC001699443234 1201880292 /nfs/dbraw/zinc/88/02/92/1201880292.db2.gz DHQAIBCDVSXKDE-MRXNPFEDSA-N 0 3 317.477 3.045 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(N(C)C)c1 ZINC001699443232 1201881910 /nfs/dbraw/zinc/88/19/10/1201881910.db2.gz DHQAIBCDVSXKDE-INIZCTEOSA-N 0 3 317.477 3.045 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001699453761 1201892313 /nfs/dbraw/zinc/89/23/13/1201892313.db2.gz HWRBCXFLAITMOB-ZDUSSCGKSA-N 0 3 308.853 3.489 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001752786777 1201921861 /nfs/dbraw/zinc/92/18/61/1201921861.db2.gz ZEOWNKNQRUTBKI-AEFFLSMTSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001752784483 1201922228 /nfs/dbraw/zinc/92/22/28/1201922228.db2.gz CTSXBEWMAVSJCL-CYBMUJFWSA-N 0 3 320.399 3.369 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001699523948 1201934152 /nfs/dbraw/zinc/93/41/52/1201934152.db2.gz FTLIMVPSMAAPFD-UHFFFAOYSA-N 0 3 319.836 3.281 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCC=C(Cl)Cl)C2CC2)C1 ZINC001699590956 1201962712 /nfs/dbraw/zinc/96/27/12/1201962712.db2.gz YCBOGWZZHMCRGG-GFCCVEGCSA-N 0 3 317.260 3.146 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1cc(C)ns1)C1CC1 ZINC001699590739 1201963105 /nfs/dbraw/zinc/96/31/05/1201963105.db2.gz VFJAXFDSOGCETL-NVXWUHKLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001752840262 1201966191 /nfs/dbraw/zinc/96/61/91/1201966191.db2.gz KGZJKNKNPMLGSK-HOTGVXAUSA-N 0 3 315.461 3.011 20 30 DGEDHN C[C@@H](CNC(=O)C(F)=C1CCCC1)NCc1ccc(C#N)s1 ZINC001752865666 1201983153 /nfs/dbraw/zinc/98/31/53/1201983153.db2.gz IMZDGFLDCUFNBJ-NSHDSACASA-N 0 3 321.421 3.012 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC001699627014 1201990850 /nfs/dbraw/zinc/99/08/50/1201990850.db2.gz KBBGSGLUCLBAFT-AWEZNQCLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001699630701 1201996573 /nfs/dbraw/zinc/99/65/73/1201996573.db2.gz SBXXBSCQQAAFRY-NVXWUHKLSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001699633199 1201998994 /nfs/dbraw/zinc/99/89/94/1201998994.db2.gz PBCOVVVOGPOLKD-RTBURBONSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001699637431 1202002329 /nfs/dbraw/zinc/00/23/29/1202002329.db2.gz GCTLFSOQIYACRO-HIFRSBDPSA-N 0 3 319.449 3.094 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001699639066 1202003710 /nfs/dbraw/zinc/00/37/10/1202003710.db2.gz MNJLVJRHXPQVFH-DOTOQJQBSA-N 0 3 323.440 3.394 20 30 DGEDHN CCC[C@@H](C)CC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001699647971 1202012045 /nfs/dbraw/zinc/01/20/45/1202012045.db2.gz WTTPJVRJXJKGOH-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CN[C@H](C)c2c(F)cccc2F)C1 ZINC001752932706 1202016886 /nfs/dbraw/zinc/01/68/86/1202016886.db2.gz REPYPLPXCKEHBC-KGLIPLIRSA-N 0 3 322.399 3.430 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CCC)CC2CCCC2)CC1 ZINC001699664609 1202022866 /nfs/dbraw/zinc/02/28/66/1202022866.db2.gz NEPLBVMPIXJKLG-KRWDZBQOSA-N 0 3 304.478 3.245 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(F)F ZINC001699683269 1202031734 /nfs/dbraw/zinc/03/17/34/1202031734.db2.gz AJLHVJZZLPQOFG-ZNMIVQPWSA-N 0 3 314.420 3.309 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2oc(C)nc2C)C[C@H]1C ZINC001699735392 1202060113 /nfs/dbraw/zinc/06/01/13/1202060113.db2.gz FDDPJKYTXVXUPH-CZUORRHYSA-N 0 3 319.449 3.117 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2csc(C)n2)C[C@H]1C ZINC001699739254 1202060482 /nfs/dbraw/zinc/06/04/82/1202060482.db2.gz SXINYABEFQPXBM-UKRRQHHQSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccoc1C ZINC001753022872 1202064756 /nfs/dbraw/zinc/06/47/56/1202064756.db2.gz NITKVJPGOURQCB-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](C)c1ccco1 ZINC001753032944 1202069215 /nfs/dbraw/zinc/06/92/15/1202069215.db2.gz AFCGQFSCZIOMBD-LSDHHAIUSA-N 0 3 324.852 3.496 20 30 DGEDHN C#CCN(C(C)=O)C1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001699775803 1202076552 /nfs/dbraw/zinc/07/65/52/1202076552.db2.gz PCYYYTBEOLEQTN-UHFFFAOYSA-N 0 3 310.441 3.010 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001753050682 1202084311 /nfs/dbraw/zinc/08/43/11/1202084311.db2.gz QBXZWKJAIFWRCV-UHFFFAOYSA-N 0 3 300.446 3.468 20 30 DGEDHN CCN(CCNC(=O)c1ccccc1C)Cc1ccc(C#N)cc1 ZINC001753077028 1202107848 /nfs/dbraw/zinc/10/78/48/1202107848.db2.gz DMJFDRGUEXRYGV-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc(Cl)ccc1Cl ZINC001753093770 1202125098 /nfs/dbraw/zinc/12/50/98/1202125098.db2.gz IYSXHKILDWWHKI-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](CC)Cc1ccccc1 ZINC001753113527 1202143438 /nfs/dbraw/zinc/14/34/38/1202143438.db2.gz PMKIZMUVVMOKQD-MSOLQXFVSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1C ZINC001753120479 1202149236 /nfs/dbraw/zinc/14/92/36/1202149236.db2.gz XHSSCTIAKGXCIV-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001753132067 1202153388 /nfs/dbraw/zinc/15/33/88/1202153388.db2.gz IHSSIEOCXKWOHK-MRXNPFEDSA-N 0 3 318.436 3.284 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CCC2CCCCCC2)C1 ZINC001753131379 1202153751 /nfs/dbraw/zinc/15/37/51/1202153751.db2.gz SZZCVHCFBJIOGC-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2ccccc2cc1F ZINC001753145378 1202162502 /nfs/dbraw/zinc/16/25/02/1202162502.db2.gz FWJHQONIGWJYKZ-UHFFFAOYSA-N 0 3 312.388 3.054 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CCC)Cc1ccc(C#N)cc1 ZINC001753146601 1202165064 /nfs/dbraw/zinc/16/50/64/1202165064.db2.gz AQVJJZBXJOGLKI-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H]2CN(C[C@@H](F)CC)C[C@H]21 ZINC001700019936 1202166084 /nfs/dbraw/zinc/16/60/84/1202166084.db2.gz YRDZIGXGVIAZCO-OKZBNKHCSA-N 0 3 322.468 3.241 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001700017902 1202166267 /nfs/dbraw/zinc/16/62/67/1202166267.db2.gz SWKDWVCYLOYDLS-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001753148365 1202166775 /nfs/dbraw/zinc/16/67/75/1202166775.db2.gz IWOLBFXUAMMXSE-QUCCMNQESA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCCc2ccccc21)C1CC1 ZINC001753155083 1202171325 /nfs/dbraw/zinc/17/13/25/1202171325.db2.gz AKHKPHXGBGXGGW-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC1 ZINC001753159338 1202174061 /nfs/dbraw/zinc/17/40/61/1202174061.db2.gz JBATUECOYDATRO-CHWSQXEVSA-N 0 3 324.877 3.272 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C)(C)c1cccc(F)c1)C1CC1 ZINC001753159427 1202175280 /nfs/dbraw/zinc/17/52/80/1202175280.db2.gz RBEZPZLDZWNTLZ-UHFFFAOYSA-N 0 3 318.436 3.260 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C(F)F)cc1)C1CC1 ZINC001753160966 1202175761 /nfs/dbraw/zinc/17/57/61/1202175761.db2.gz HXJPTRWCILEGGI-UHFFFAOYSA-N 0 3 308.372 3.395 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2c(C)coc2C)cc1 ZINC001700096971 1202180498 /nfs/dbraw/zinc/18/04/98/1202180498.db2.gz ZVLZBZWKAXSHLT-CQSZACIVSA-N 0 3 310.397 3.110 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CCCCCCCC)C2)CC1 ZINC001700108843 1202183125 /nfs/dbraw/zinc/18/31/25/1202183125.db2.gz AIEGJXWPKQDXRA-UHFFFAOYSA-N 0 3 304.478 3.295 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@](C)(C=C)CC)cccc2C1 ZINC001700122833 1202184080 /nfs/dbraw/zinc/18/40/80/1202184080.db2.gz IMMVUVXTZIQIKB-OAQYLSRUSA-N 0 3 324.468 3.287 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001753319525 1202207405 /nfs/dbraw/zinc/20/74/05/1202207405.db2.gz HCBGDTKUFFLBFV-FUHWJXTLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cc(C3CC3)no2)C1 ZINC001753319128 1202208238 /nfs/dbraw/zinc/20/82/38/1202208238.db2.gz AWDRXKZLILCURZ-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C[C@@H](C(=O)N(CCC)[C@H]1CCN(CC)C1)c1ccccc1 ZINC001753324157 1202211417 /nfs/dbraw/zinc/21/14/17/1202211417.db2.gz YJGITJLJCRLHPO-ZWKOTPCHSA-N 0 3 300.446 3.289 20 30 DGEDHN O=C(CCC1CC1)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001753325018 1202212354 /nfs/dbraw/zinc/21/23/54/1202212354.db2.gz OBWKFCVGJKKKPG-FQEVSTJZSA-N 0 3 324.468 3.057 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001700226157 1202215986 /nfs/dbraw/zinc/21/59/86/1202215986.db2.gz IIJGEMMRCPPRFE-ASRSSLEJSA-N 0 3 310.869 3.410 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCCCCC)C2 ZINC001700230051 1202216821 /nfs/dbraw/zinc/21/68/21/1202216821.db2.gz ODBONRSCCPPVIK-LJQANCHMSA-N 0 3 304.478 3.295 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H](F)CC)cc2C1 ZINC001700252334 1202217696 /nfs/dbraw/zinc/21/76/96/1202217696.db2.gz GWMCGIUDIHQBIM-KRWDZBQOSA-N 0 3 304.409 3.333 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1c2ccccc2CCN1CC1CCC1 ZINC001700330313 1202238918 /nfs/dbraw/zinc/23/89/18/1202238918.db2.gz OSHWQFUIZIZCJD-HXUWFJFHSA-N 0 3 324.468 3.162 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001753409816 1202244321 /nfs/dbraw/zinc/24/43/21/1202244321.db2.gz XZPJQFWADUCHGO-HXUWFJFHSA-N 0 3 314.473 3.399 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCCc2ccccc21 ZINC001753418706 1202247236 /nfs/dbraw/zinc/24/72/36/1202247236.db2.gz NEBNVOIDERKAPQ-JENIJYKNSA-N 0 3 310.441 3.315 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC(F)F ZINC001753423323 1202249450 /nfs/dbraw/zinc/24/94/50/1202249450.db2.gz FEYHRHZQAPYILC-KBPBESRZSA-N 0 3 314.420 3.309 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(C(F)F)c1 ZINC001700364167 1202250677 /nfs/dbraw/zinc/25/06/77/1202250677.db2.gz OZLBAYDXSNZXCT-HNNXBMFYSA-N 0 3 308.372 3.347 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)c1ccc(C)cc1 ZINC001700365014 1202252093 /nfs/dbraw/zinc/25/20/93/1202252093.db2.gz TUVHKEVYBINALX-GOSISDBHSA-N 0 3 314.473 3.381 20 30 DGEDHN CC(C)c1ccccc1CN1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001753433745 1202253290 /nfs/dbraw/zinc/25/32/90/1202253290.db2.gz MULRICJGWFIZEK-WBVHZDCISA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccccc2Cl)C1 ZINC001700381543 1202255964 /nfs/dbraw/zinc/25/59/64/1202255964.db2.gz FXAAIALECIFOSH-UHFFFAOYSA-N 0 3 313.228 3.191 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001700384114 1202256565 /nfs/dbraw/zinc/25/65/65/1202256565.db2.gz FRUANOPVEVQMAT-LSDHHAIUSA-N 0 3 320.864 3.220 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1scnc1C ZINC001700399334 1202262570 /nfs/dbraw/zinc/26/25/70/1202262570.db2.gz CWQNXMPBRGDTLT-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001700412219 1202265938 /nfs/dbraw/zinc/26/59/38/1202265938.db2.gz BMZMPVBZSZGSSJ-STQMWFEESA-N 0 3 310.388 3.304 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@H](C)NCc2cnc(C)s2)CC1 ZINC001700418441 1202267685 /nfs/dbraw/zinc/26/76/85/1202267685.db2.gz LKVNIJJADIKWKS-QWHCGFSZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(Br)CNC1CCC(N(C)C(=O)CCC)CC1 ZINC001700434727 1202272228 /nfs/dbraw/zinc/27/22/28/1202272228.db2.gz WQMWLPLPGAVVNY-UHFFFAOYSA-N 0 3 317.271 3.054 20 30 DGEDHN CC(C)c1ccccc1CN(C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001700460328 1202281055 /nfs/dbraw/zinc/28/10/55/1202281055.db2.gz KWBKCZAPERXUGC-INIZCTEOSA-N 0 3 312.457 3.160 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccco2)CCCC[C@@H]1C ZINC001753529817 1202284052 /nfs/dbraw/zinc/28/40/52/1202284052.db2.gz KVVAKLIIXCIQOB-LRDDRELGSA-N 0 3 310.825 3.300 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2cccc(F)c2)cc1 ZINC001700469110 1202284778 /nfs/dbraw/zinc/28/47/78/1202284778.db2.gz GLEMUOWSNNKTFO-HNNXBMFYSA-N 0 3 324.399 3.057 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CC(C)(F)F)CCCC[C@@H]1C ZINC001753536017 1202285582 /nfs/dbraw/zinc/28/55/82/1202285582.db2.gz ONIHRPGNGWRVNT-XHDPSFHLSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC001753550547 1202287373 /nfs/dbraw/zinc/28/73/73/1202287373.db2.gz STRXOSISULTACQ-OAHLLOKOSA-N 0 3 323.868 3.216 20 30 DGEDHN C=CCCC[NH2+]Cc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001753598600 1202296840 /nfs/dbraw/zinc/29/68/40/1202296840.db2.gz XFYREOGOLZEDNT-UHFFFAOYSA-N 0 3 324.424 3.378 20 30 DGEDHN CCCC[C@@H](CNCc1ccccc1F)NC(=O)C#CC1CC1 ZINC001700516485 1202301123 /nfs/dbraw/zinc/30/11/23/1202301123.db2.gz AIOPEZBIORNPBW-KRWDZBQOSA-N 0 3 316.420 3.004 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CC2CC(F)(F)C2)CCCC1 ZINC001753665284 1202308508 /nfs/dbraw/zinc/30/85/08/1202308508.db2.gz WDOYKJNDULQEKC-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2cccc(Cl)c2)C1 ZINC001700548392 1202311549 /nfs/dbraw/zinc/31/15/49/1202311549.db2.gz KZMIRYJLRZRPQI-CQSZACIVSA-N 0 3 320.864 3.285 20 30 DGEDHN CCCCCC(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001753679293 1202312111 /nfs/dbraw/zinc/31/21/11/1202312111.db2.gz KLGLTLRMJIQOHI-CQSZACIVSA-N 0 3 319.424 3.214 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C2CC2)C2CC2)C(C)(C)C1 ZINC001700574823 1202317935 /nfs/dbraw/zinc/31/79/35/1202317935.db2.gz BXITVJAQRPLCLM-KRWDZBQOSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN([C@@H](C)c3ccccc3F)C[C@H]21 ZINC001700580145 1202319035 /nfs/dbraw/zinc/31/90/35/1202319035.db2.gz IZQBHELDEDMWKH-QSPRXWTASA-N 0 3 316.420 3.147 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCc2scnc2C)CC1 ZINC001753711742 1202319456 /nfs/dbraw/zinc/31/94/56/1202319456.db2.gz WNGAQHYUEIIZKZ-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001700616315 1202322856 /nfs/dbraw/zinc/32/28/56/1202322856.db2.gz MGSLJRXSZSLSOU-XKZJDJRFSA-N 0 3 322.880 3.478 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCC[C@H](C)CC)C[C@]2(C)C1 ZINC001700622584 1202324411 /nfs/dbraw/zinc/32/44/11/1202324411.db2.gz LUXTZRIVMSTUDK-RLLQIKCJSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001700640888 1202327375 /nfs/dbraw/zinc/32/73/75/1202327375.db2.gz FNLPPMWISJNJIM-KKUMJFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001753803059 1202336339 /nfs/dbraw/zinc/33/63/39/1202336339.db2.gz ISKOQVFDVZFBRP-IEBWSBKVSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001700721251 1202342956 /nfs/dbraw/zinc/34/29/56/1202342956.db2.gz IDHPBKBPZNAARJ-KRWDZBQOSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H]1CCC(F)(F)C1)C(C)C ZINC001753831092 1202343849 /nfs/dbraw/zinc/34/38/49/1202343849.db2.gz MOPXYSNJLZDFJP-CHWSQXEVSA-N 0 3 322.827 3.295 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001700745647 1202347278 /nfs/dbraw/zinc/34/72/78/1202347278.db2.gz MKLDDGRZYHKFRP-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN CC(C)CCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001700767670 1202351356 /nfs/dbraw/zinc/35/13/56/1202351356.db2.gz MGXGBDXAUCHJPH-GOSISDBHSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cnc(C)s2)C[C@H]1C ZINC001700837579 1202357542 /nfs/dbraw/zinc/35/75/42/1202357542.db2.gz KTVSSPSNBRWTGF-OCCSQVGLSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC001700853750 1202359235 /nfs/dbraw/zinc/35/92/35/1202359235.db2.gz MFJRGIBQOKBBOS-GOEBONIOSA-N 0 3 324.424 3.266 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCOC(C)C)[C@@H]2C)CCC1 ZINC001700883869 1202365616 /nfs/dbraw/zinc/36/56/16/1202365616.db2.gz WOHHGLLQDYWJNU-IAGOWNOFSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001700945604 1202372107 /nfs/dbraw/zinc/37/21/07/1202372107.db2.gz VQZVPSIYJODSNV-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@@H]2C(C)C)c(F)c1 ZINC001701068224 1202386692 /nfs/dbraw/zinc/38/66/92/1202386692.db2.gz ZIJMQIWDHKAGNW-CVEARBPZSA-N 0 3 304.409 3.010 20 30 DGEDHN C=CCCCn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001705811352 1202566453 /nfs/dbraw/zinc/56/64/53/1202566453.db2.gz WJDJFIUYNUDVQU-JKSUJKDBSA-N 0 3 319.497 3.287 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001707047851 1202568814 /nfs/dbraw/zinc/56/88/14/1202568814.db2.gz PYXWXUPCPUJWSL-KRWDZBQOSA-N 0 3 315.461 3.119 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OC1CCCCCC1 ZINC001707049031 1202568976 /nfs/dbraw/zinc/56/89/76/1202568976.db2.gz FQCUJRQBBPJVBZ-IRXDYDNUSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)Cc1ccccc1 ZINC001707050311 1202569304 /nfs/dbraw/zinc/56/93/04/1202569304.db2.gz CNLNBHGMJNDBGA-OALUTQOASA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)Cc1ccccc1 ZINC001707050307 1202569553 /nfs/dbraw/zinc/56/95/53/1202569553.db2.gz CNLNBHGMJNDBGA-MOPGFXCFSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001707052611 1202569605 /nfs/dbraw/zinc/56/96/05/1202569605.db2.gz WDINSOXIWULEPK-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001707054831 1202570107 /nfs/dbraw/zinc/57/01/07/1202570107.db2.gz LXGXKPLGWNHWKL-ROUUACIJSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001707055418 1202570230 /nfs/dbraw/zinc/57/02/30/1202570230.db2.gz SHXFGTDDPYFADB-ZFWWWQNUSA-N 0 3 319.449 3.046 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCC2CC2)CCCC1 ZINC001707055449 1202570308 /nfs/dbraw/zinc/57/03/08/1202570308.db2.gz DSKPMFITHUPZSP-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)C(CC)CC)C2)CC1 ZINC001707124229 1202573894 /nfs/dbraw/zinc/57/38/94/1202573894.db2.gz IVYUMOBQPXFJKC-IRXDYDNUSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CC(C)C ZINC001707128884 1202574025 /nfs/dbraw/zinc/57/40/25/1202574025.db2.gz DKXYXCIFFVDDSQ-ZFWWWQNUSA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](F)CC ZINC001707172391 1202575255 /nfs/dbraw/zinc/57/52/55/1202575255.db2.gz CEYGWNFCHNCDSI-BPLDGKMQSA-N 0 3 318.864 3.484 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](CCC)CC(C)C)C[C@@H]2C1 ZINC001707225543 1202577068 /nfs/dbraw/zinc/57/70/68/1202577068.db2.gz FFFXRHWQITYPHK-OTWHNJEPSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC[C@H](C)c2ccccc2)[C@H]1C ZINC001707260619 1202578923 /nfs/dbraw/zinc/57/89/23/1202578923.db2.gz IEFNYGMAVRKYIE-JZXOWHBKSA-N 0 3 300.446 3.335 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001707433701 1202584570 /nfs/dbraw/zinc/58/45/70/1202584570.db2.gz CIVGRVPIEIIRAD-UONOGXRCSA-N 0 3 310.825 3.313 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC001713089713 1202616322 /nfs/dbraw/zinc/61/63/22/1202616322.db2.gz MRBRXHSJUXHEEO-QZTJIDSGSA-N 0 3 318.436 3.332 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1 ZINC001713140983 1202621474 /nfs/dbraw/zinc/62/14/74/1202621474.db2.gz VXSPWWUIRWQPCZ-CALCHBBNSA-N 0 3 303.450 3.274 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC(CC1)C2 ZINC001713141833 1202621522 /nfs/dbraw/zinc/62/15/22/1202621522.db2.gz LZGMGYQNNXCVFV-RJSVMHHESA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001713165284 1202623210 /nfs/dbraw/zinc/62/32/10/1202623210.db2.gz FPEPCXWHWBRFPP-HDJSIYSDSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001713176137 1202624300 /nfs/dbraw/zinc/62/43/00/1202624300.db2.gz ZYKYPZLVBWEZRT-KBRIMQKVSA-N 0 3 320.864 3.163 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001713175930 1202624331 /nfs/dbraw/zinc/62/43/31/1202624331.db2.gz TYUWPXYCXJRRLW-BZUAXINKSA-N 0 3 324.827 3.309 20 30 DGEDHN CC(C)(C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1CCC1 ZINC001713196744 1202625787 /nfs/dbraw/zinc/62/57/87/1202625787.db2.gz AACPXFLLMUCIPE-KDURUIRLSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001713205540 1202626493 /nfs/dbraw/zinc/62/64/93/1202626493.db2.gz NEYNCMLRRQWHKR-ZNMIVQPWSA-N 0 3 316.848 3.284 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2cc(F)ccc2C)C1 ZINC001713211586 1202627244 /nfs/dbraw/zinc/62/72/44/1202627244.db2.gz MCWOSWAQDLGJKD-MRXNPFEDSA-N 0 3 318.436 3.429 20 30 DGEDHN CC[C@@H](N[C@H](C)CNC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001713308837 1202638167 /nfs/dbraw/zinc/63/81/67/1202638167.db2.gz PWDIDFUNXTVUIM-CXAGYDPISA-N 0 3 322.399 3.170 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)NCc1cccc(F)c1Cl ZINC001713403241 1202646086 /nfs/dbraw/zinc/64/60/86/1202646086.db2.gz DRCCPTFAHNCBQF-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1ccsc1 ZINC001713415707 1202647388 /nfs/dbraw/zinc/64/73/88/1202647388.db2.gz HYOACHWQSAIABT-VXGBXAGGSA-N 0 3 300.855 3.089 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1oc2ccc(F)cc2c1C ZINC001713485633 1202658191 /nfs/dbraw/zinc/65/81/91/1202658191.db2.gz AWGSJQKYPLJQHU-UHFFFAOYSA-N 0 3 304.365 3.118 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001713527790 1202665361 /nfs/dbraw/zinc/66/53/61/1202665361.db2.gz FEGOBIQIKNWHFD-CVEARBPZSA-N 0 3 316.420 3.128 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001713530834 1202665895 /nfs/dbraw/zinc/66/58/95/1202665895.db2.gz NHYCZOGCEOTFOI-KRWDZBQOSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c(F)ccc(C)c1F)C1CC1 ZINC001713562151 1202671002 /nfs/dbraw/zinc/67/10/02/1202671002.db2.gz OFOPQGQXPBUHMH-UHFFFAOYSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](C)c1ccc(Cl)s1)C1CC1 ZINC001713563891 1202671464 /nfs/dbraw/zinc/67/14/64/1202671464.db2.gz CXKURTZAAZCKOO-LLVKDONJSA-N 0 3 312.866 3.272 20 30 DGEDHN CCCC(C)(C)C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001713628869 1202674003 /nfs/dbraw/zinc/67/40/03/1202674003.db2.gz HWWDTSKCNRKWID-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN CC#CCNCCN(C)C(=O)[C@H](CCC)CC1CCCCC1 ZINC001713640086 1202674494 /nfs/dbraw/zinc/67/44/94/1202674494.db2.gz DDFRXWCVABANSU-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001713697114 1202678105 /nfs/dbraw/zinc/67/81/05/1202678105.db2.gz DBOCYJZHXQFVFS-ZYSHUDEJSA-N 0 3 312.457 3.236 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(F)F)c1ccc(C(C)C)cc1 ZINC001713697144 1202678200 /nfs/dbraw/zinc/67/82/00/1202678200.db2.gz DWSZHOYCCPMWBW-MRXNPFEDSA-N 0 3 322.399 3.235 20 30 DGEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCC ZINC001713708741 1202679312 /nfs/dbraw/zinc/67/93/12/1202679312.db2.gz BWELVXWADNIOBT-SCTDSRPQSA-N 0 3 322.493 3.081 20 30 DGEDHN CC/C(C)=C\C(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001713728505 1202682924 /nfs/dbraw/zinc/68/29/24/1202682924.db2.gz NWUYXPZEQBKYKX-ZWSWSHGQSA-N 0 3 324.468 3.223 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC001713752229 1202686345 /nfs/dbraw/zinc/68/63/45/1202686345.db2.gz LADLLIQGJTYDQJ-OAHLLOKOSA-N 0 3 321.490 3.088 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001713792306 1202691490 /nfs/dbraw/zinc/69/14/90/1202691490.db2.gz YKORGCMCDINBKB-RBUKOAKNSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001713794074 1202691660 /nfs/dbraw/zinc/69/16/60/1202691660.db2.gz VHYPJSILUPSJRB-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001713849487 1202695573 /nfs/dbraw/zinc/69/55/73/1202695573.db2.gz HNEPZGLEZBMGRW-CABCVRRESA-N 0 3 310.457 3.308 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001713849794 1202695606 /nfs/dbraw/zinc/69/56/06/1202695606.db2.gz LHUWJQQRQNETRL-DLBZAZTESA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC001713851423 1202695783 /nfs/dbraw/zinc/69/57/83/1202695783.db2.gz YRSCDZSSJVMTRP-PKOBYXMFSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2coc(CC)n2)CC1 ZINC001713853999 1202695871 /nfs/dbraw/zinc/69/58/71/1202695871.db2.gz VMFFMCJAYLXODN-UHFFFAOYSA-N 0 3 319.449 3.130 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001713909213 1202701479 /nfs/dbraw/zinc/70/14/79/1202701479.db2.gz BUMJYRCYDSSSFC-SYQHCUMBSA-N 0 3 318.383 3.215 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C1CC1)C1CC1 ZINC001713915211 1202701940 /nfs/dbraw/zinc/70/19/40/1202701940.db2.gz PEYXHUVGTMVONW-HDICACEKSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCC1 ZINC001713927871 1202703082 /nfs/dbraw/zinc/70/30/82/1202703082.db2.gz OICSXESITCCZGX-BZSNNMDCSA-N 0 3 302.462 3.374 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/CC ZINC001713934800 1202703501 /nfs/dbraw/zinc/70/35/01/1202703501.db2.gz GUZPJPWFKMOHGY-NKXVPCSKSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001713937443 1202703940 /nfs/dbraw/zinc/70/39/40/1202703940.db2.gz MYFBKGORTUGGIS-IRXDYDNUSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001714000677 1202721910 /nfs/dbraw/zinc/72/19/10/1202721910.db2.gz GYLOLDPKCRVWOH-AEFFLSMTSA-N 0 3 322.493 3.223 20 30 DGEDHN Cc1ccccc1CN1CC[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001714001201 1202722556 /nfs/dbraw/zinc/72/25/56/1202722556.db2.gz SIEZVXKCAIBFCI-GOSISDBHSA-N 0 3 312.457 3.077 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCC[C@@H](C)CC)C1 ZINC001714034893 1202742487 /nfs/dbraw/zinc/74/24/87/1202742487.db2.gz BFDVNGLIZIBERC-ROUUACIJSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001714038612 1202745108 /nfs/dbraw/zinc/74/51/08/1202745108.db2.gz AEEQPLNYQUKVCK-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCc2ccsc2)C1 ZINC001714041184 1202745772 /nfs/dbraw/zinc/74/57/72/1202745772.db2.gz WEPPPOWOEGYXAP-MRXNPFEDSA-N 0 3 306.475 3.180 20 30 DGEDHN CC/C=C(/C)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001714123613 1202790947 /nfs/dbraw/zinc/79/09/47/1202790947.db2.gz KLNHKUUSYVAXFP-JYWRCUDFSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#CC ZINC001714146309 1202801068 /nfs/dbraw/zinc/80/10/68/1202801068.db2.gz UXKQEVQWXXKNAV-QZTJIDSGSA-N 0 3 316.489 3.458 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2CC(C)(C)C2)C1 ZINC001714154799 1202808554 /nfs/dbraw/zinc/80/85/54/1202808554.db2.gz ZNWJPDXDLUVEBY-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](F)c1ccccc1)C1CC1 ZINC001714172758 1202815234 /nfs/dbraw/zinc/81/52/34/1202815234.db2.gz BXNSYNOBHCIGCA-RDJZCZTQSA-N 0 3 324.827 3.324 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001714213939 1202834528 /nfs/dbraw/zinc/83/45/28/1202834528.db2.gz IPVSPSVVHTYEDF-CYBMUJFWSA-N 0 3 322.827 3.393 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001714229391 1202841011 /nfs/dbraw/zinc/84/10/11/1202841011.db2.gz MPWWLWBXTGOBAO-KBPBESRZSA-N 0 3 322.399 3.314 20 30 DGEDHN C=CCCCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001714364918 1202897250 /nfs/dbraw/zinc/89/72/50/1202897250.db2.gz BCMXHJFFACBKHM-BJMVGYQFSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CCCCC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001714364920 1202897299 /nfs/dbraw/zinc/89/72/99/1202897299.db2.gz BCMXHJFFACBKHM-YHYXMXQVSA-N 0 3 310.869 3.410 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001714399255 1202912680 /nfs/dbraw/zinc/91/26/80/1202912680.db2.gz YYKBINWHLHRHNC-PLBVXEHZSA-N 0 3 311.429 3.041 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001714399256 1202912795 /nfs/dbraw/zinc/91/27/95/1202912795.db2.gz YYKBINWHLHRHNC-WVDVUYEJSA-N 0 3 311.429 3.041 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC001714405819 1202915986 /nfs/dbraw/zinc/91/59/86/1202915986.db2.gz DCQMYVPAOCWFPS-CABCVRRESA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001714412018 1202918548 /nfs/dbraw/zinc/91/85/48/1202918548.db2.gz LFUFMSBHGJRYJX-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2ocnc2C)C1 ZINC001714412017 1202919204 /nfs/dbraw/zinc/91/92/04/1202919204.db2.gz LFUFMSBHGJRYJX-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001714445514 1202938198 /nfs/dbraw/zinc/93/81/98/1202938198.db2.gz JTUATNYSPMDWGB-KRWDZBQOSA-N 0 3 318.486 3.365 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001714452549 1202942894 /nfs/dbraw/zinc/94/28/94/1202942894.db2.gz GCHLMRWNULEQHP-IEBWSBKVSA-N 0 3 312.457 3.126 20 30 DGEDHN CCC[C@@H](C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001714459841 1202949024 /nfs/dbraw/zinc/94/90/24/1202949024.db2.gz JJPJASFXHBUUCW-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1nc(C)sc1C ZINC001714491960 1202960516 /nfs/dbraw/zinc/96/05/16/1202960516.db2.gz NSJBYFCMMZAFEP-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(C(C)(F)F)CC2)CCCC1 ZINC001714506039 1202967888 /nfs/dbraw/zinc/96/78/88/1202967888.db2.gz ZYVPLLLJEUOYJW-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1Cc1cccc(OC)c1 ZINC001714613485 1203050347 /nfs/dbraw/zinc/05/03/47/1203050347.db2.gz TVAGFPGMHHZXAF-QGZVFWFLSA-N 0 3 316.445 3.132 20 30 DGEDHN CCCN(CCNC(=O)CC1(C)CC1)Cc1cccc(C#N)c1 ZINC001714654875 1203079764 /nfs/dbraw/zinc/07/97/64/1203079764.db2.gz WLRHRAIIKJOFBC-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1nc2ccccc2cc1C ZINC001714656930 1203080868 /nfs/dbraw/zinc/08/08/68/1203080868.db2.gz UIJSWPWUIPTYDI-UHFFFAOYSA-N 0 3 323.440 3.008 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(Cl)cc1Cl)C1CC1 ZINC001714677572 1203097509 /nfs/dbraw/zinc/09/75/09/1203097509.db2.gz XOLIIIUMFRQCII-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)CC1 ZINC001714747516 1203116661 /nfs/dbraw/zinc/11/66/61/1203116661.db2.gz OFAAAFZLPMPKNI-SFHVURJKSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)Cc1cccc(C)c1)c1ccccc1 ZINC001714837857 1203146585 /nfs/dbraw/zinc/14/65/85/1203146585.db2.gz KNMDCYZZHNVOBV-FQEVSTJZSA-N 0 3 320.436 3.008 20 30 DGEDHN C#CCCN[C@H](CNC(=O)Cc1cccc(C)c1)c1ccccc1 ZINC001714837859 1203146609 /nfs/dbraw/zinc/14/66/09/1203146609.db2.gz KNMDCYZZHNVOBV-HXUWFJFHSA-N 0 3 320.436 3.008 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)cs1)c1ccccc1 ZINC001714837468 1203146801 /nfs/dbraw/zinc/14/68/01/1203146801.db2.gz TUOSNAZDDGLSKD-INIZCTEOSA-N 0 3 312.438 3.141 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(F)cc1C)c1ccccc1 ZINC001714843543 1203148458 /nfs/dbraw/zinc/14/84/58/1203148458.db2.gz DQYMPTOGBWBVRA-SFHVURJKSA-N 0 3 312.388 3.381 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001714866004 1203164111 /nfs/dbraw/zinc/16/41/11/1203164111.db2.gz FSHGICARZGALJD-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC2(CC2)CC1 ZINC001714990006 1203227062 /nfs/dbraw/zinc/22/70/62/1203227062.db2.gz OBJWEPFTEWZMPQ-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]c2ccccc21 ZINC001714989233 1203227723 /nfs/dbraw/zinc/22/77/23/1203227723.db2.gz GGQWCKYNZMBEIH-HOTGVXAUSA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccsc1 ZINC001714991936 1203228167 /nfs/dbraw/zinc/22/81/67/1203228167.db2.gz MLEBFYUVIDWWLI-BPUTZDHNSA-N 0 3 304.459 3.103 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001715001112 1203231388 /nfs/dbraw/zinc/23/13/88/1203231388.db2.gz YJXVLQHYASYOEC-KRWDZBQOSA-N 0 3 311.429 3.215 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2cc(Cl)cs2)C1 ZINC001715022050 1203241078 /nfs/dbraw/zinc/24/10/78/1203241078.db2.gz CXLQRSNDWVSAEM-CYBMUJFWSA-N 0 3 312.866 3.053 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001715023264 1203241723 /nfs/dbraw/zinc/24/17/23/1203241723.db2.gz FXBSZHSAKDWJRD-MSOLQXFVSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2sc(C)cc2C)C1 ZINC001715042200 1203250096 /nfs/dbraw/zinc/25/00/96/1203250096.db2.gz AQELOZJRBZEOGW-OAHLLOKOSA-N 0 3 306.475 3.016 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCC=C(Cl)Cl ZINC001715057730 1203257898 /nfs/dbraw/zinc/25/78/98/1203257898.db2.gz BSNHCGNXQKXIIB-LLVKDONJSA-N 0 3 307.265 3.392 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CCCC1 ZINC001715095620 1203271458 /nfs/dbraw/zinc/27/14/58/1203271458.db2.gz ZTDMRQGCPWGGJU-ILXRZTDVSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC001715117434 1203277690 /nfs/dbraw/zinc/27/76/90/1203277690.db2.gz NVSGQAMPNHTIAP-JKSUJKDBSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCc1ccc(F)cn1 ZINC001715136185 1203282612 /nfs/dbraw/zinc/28/26/12/1203282612.db2.gz JVOCPMFLGGMALQ-KRWDZBQOSA-N 0 3 319.424 3.048 20 30 DGEDHN CCCC(=O)N[C@H]1CC[C@H](NCc2cc(F)ccc2C#N)CC1 ZINC001715179520 1203290118 /nfs/dbraw/zinc/29/01/18/1203290118.db2.gz FDNIKXSJVWDQQU-QAQDUYKDSA-N 0 3 317.408 3.014 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1oc(C(C)C)nc1C ZINC001715245450 1203303140 /nfs/dbraw/zinc/30/31/40/1203303140.db2.gz NTPHJERXBHQOHM-ZDUSSCGKSA-N 0 3 321.465 3.161 20 30 DGEDHN CC[C@@H](C)C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001715295264 1203309068 /nfs/dbraw/zinc/30/90/68/1203309068.db2.gz KNELBCVLTOKNPS-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN CC(C)C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC1CC1 ZINC001715383133 1203329967 /nfs/dbraw/zinc/32/99/67/1203329967.db2.gz PMVGADSPNOUQFU-CQSZACIVSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccns1)C1CCCCC1 ZINC001715398598 1203334884 /nfs/dbraw/zinc/33/48/84/1203334884.db2.gz NHZPEHNTBUUWNN-INIZCTEOSA-N 0 3 321.490 3.264 20 30 DGEDHN CC(C)[C@H](CNC(=O)[C@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001715487074 1203350525 /nfs/dbraw/zinc/35/05/25/1203350525.db2.gz MREFPAHOYXICPR-PMACEKPBSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(C(C)C)n1)C(C)C ZINC001715498608 1203353149 /nfs/dbraw/zinc/35/31/49/1203353149.db2.gz UIGMGVZMDGWPFZ-INIZCTEOSA-N 0 3 323.868 3.302 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C(C)C)nc1CC ZINC001715534542 1203365715 /nfs/dbraw/zinc/36/57/15/1203365715.db2.gz YKKHJUNWUANHML-UHFFFAOYSA-N 0 3 317.477 3.347 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1cccc(Cl)n1)C(C)C ZINC001715587347 1203373078 /nfs/dbraw/zinc/37/30/78/1203373078.db2.gz LZMNGUSEVMLNTN-OAHLLOKOSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001715653572 1203377751 /nfs/dbraw/zinc/37/77/51/1203377751.db2.gz XLZUKTURVSPSBV-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(Cl)c(C)c1 ZINC001715675375 1203379766 /nfs/dbraw/zinc/37/97/66/1203379766.db2.gz BKWZTKZIZYMMGM-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001715687409 1203380677 /nfs/dbraw/zinc/38/06/77/1203380677.db2.gz HUPDEGPUEWJNHQ-BMFZPTHFSA-N 0 3 306.837 3.027 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001715918974 1203404142 /nfs/dbraw/zinc/40/41/42/1203404142.db2.gz MBPBXBPHUUSEBQ-UHFFFAOYSA-N 0 3 306.425 3.259 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001715944406 1203408480 /nfs/dbraw/zinc/40/84/80/1203408480.db2.gz ALNSZIBVRNAKSA-CQSZACIVSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001715987966 1203416361 /nfs/dbraw/zinc/41/63/61/1203416361.db2.gz DTRUCXILXCQCJQ-ZBEGNZNMSA-N 0 3 322.399 3.259 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001715996660 1203418178 /nfs/dbraw/zinc/41/81/78/1203418178.db2.gz RYAPOTYKINQGFY-UHFFFAOYSA-N 0 3 313.228 3.021 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCc1scnc1C ZINC001716033783 1203429992 /nfs/dbraw/zinc/42/99/92/1203429992.db2.gz GNZWMESXPHWANX-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCCC(=O)N(CC)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001716209138 1203449391 /nfs/dbraw/zinc/44/93/91/1203449391.db2.gz RAPPTBWAEYNPQY-QGZVFWFLSA-N 0 3 322.399 3.356 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)CC(C)(C)CC ZINC001716219195 1203450350 /nfs/dbraw/zinc/45/03/50/1203450350.db2.gz IDNZENJGSYKNCC-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN CC(C)=C(C)CC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001716330609 1203459740 /nfs/dbraw/zinc/45/97/40/1203459740.db2.gz BZRBDNKKIBJGNF-SNAWJCMRSA-N 0 3 311.429 3.067 20 30 DGEDHN CC(C)=C(C)CC(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001716330608 1203459819 /nfs/dbraw/zinc/45/98/19/1203459819.db2.gz BZRBDNKKIBJGNF-PLNGDYQASA-N 0 3 311.429 3.067 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1)CC ZINC001716391564 1203465339 /nfs/dbraw/zinc/46/53/39/1203465339.db2.gz CNUQPAITNIVJMO-CYBMUJFWSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001716397616 1203466375 /nfs/dbraw/zinc/46/63/75/1203466375.db2.gz VMHYNKGGSLBJEL-OAHLLOKOSA-N 0 3 318.848 3.142 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001716417600 1203469818 /nfs/dbraw/zinc/46/98/18/1203469818.db2.gz WOYXQNNAXFJJJP-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C[C@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C#CC(C)(C)C ZINC001716477987 1203484696 /nfs/dbraw/zinc/48/46/96/1203484696.db2.gz NBVLXRZLWSAXCM-CABCVRRESA-N 0 3 318.436 3.373 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001716504719 1203495732 /nfs/dbraw/zinc/49/57/32/1203495732.db2.gz SRUJVKMHJPALEJ-STQMWFEESA-N 0 3 306.475 3.109 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cnc(C)s1)C1CC1 ZINC001716617712 1203507214 /nfs/dbraw/zinc/50/72/14/1203507214.db2.gz OOXZRLRVQWBZDD-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001716652481 1203513696 /nfs/dbraw/zinc/51/36/96/1203513696.db2.gz OCKMTLMHNASDCC-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001716655407 1203514347 /nfs/dbraw/zinc/51/43/47/1203514347.db2.gz UVHHZLSMGKJVPE-MLGOLLRUSA-N 0 3 304.434 3.364 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001716659451 1203516046 /nfs/dbraw/zinc/51/60/46/1203516046.db2.gz ZZJARLNEMWITHI-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001716659452 1203516153 /nfs/dbraw/zinc/51/61/53/1203516153.db2.gz ZZJARLNEMWITHI-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001716661622 1203517340 /nfs/dbraw/zinc/51/73/40/1203517340.db2.gz QNKBLXVQZSPIHA-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001716661621 1203517489 /nfs/dbraw/zinc/51/74/89/1203517489.db2.gz QNKBLXVQZSPIHA-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2ccc(OC)cc2)CC1 ZINC001716683403 1203524345 /nfs/dbraw/zinc/52/43/45/1203524345.db2.gz BVTLXRSFDRTPIR-UHFFFAOYSA-N 0 3 316.445 3.036 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCc3ccc(F)cc3)CC2)CCC1 ZINC001716693037 1203526211 /nfs/dbraw/zinc/52/62/11/1203526211.db2.gz PEJCQKFOFHMLBA-UHFFFAOYSA-N 0 3 316.420 3.311 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc(C3CCCC3)c2)CC1 ZINC001716699126 1203527870 /nfs/dbraw/zinc/52/78/70/1203527870.db2.gz GSYJFBYGQARKMN-UHFFFAOYSA-N 0 3 310.441 3.220 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(C)CCN([C@H](C)c2cccc(F)c2)CC1 ZINC001716793962 1203543659 /nfs/dbraw/zinc/54/36/59/1203543659.db2.gz CVVISELCMSEHQA-ZIAGYGMSSA-N 0 3 317.408 3.017 20 30 DGEDHN C#CCN(C(=O)C1CC(C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001716804672 1203545171 /nfs/dbraw/zinc/54/51/71/1203545171.db2.gz OFCALJIJSOPMMR-UHFFFAOYSA-N 0 3 324.468 3.159 20 30 DGEDHN C#CCN(C(=O)CCC1(C)CC1)C1CCN(CC=C(C)C)CC1 ZINC001716810794 1203545915 /nfs/dbraw/zinc/54/59/15/1203545915.db2.gz CVKHGURKEVESBV-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001716830673 1203549429 /nfs/dbraw/zinc/54/94/29/1203549429.db2.gz VFOVRGSJIBZJHD-SJLPKXTDSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC001716845650 1203554058 /nfs/dbraw/zinc/55/40/58/1203554058.db2.gz BAYDBDCJJNALMY-SFHVURJKSA-N 0 3 320.864 3.348 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001716848476 1203555048 /nfs/dbraw/zinc/55/50/48/1203555048.db2.gz DRBQTOVCNAMXPG-KXBFYZLASA-N 0 3 318.436 3.161 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001716884368 1203561179 /nfs/dbraw/zinc/56/11/79/1203561179.db2.gz VJVBTXXSDQYPMX-YHYXMXQVSA-N 0 3 310.869 3.007 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(CCC)s2)CC1 ZINC001716885516 1203561626 /nfs/dbraw/zinc/56/16/26/1203561626.db2.gz TUCPQHTZEPQTTR-UHFFFAOYSA-N 0 3 318.486 3.166 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001716891709 1203563121 /nfs/dbraw/zinc/56/31/21/1203563121.db2.gz QBYIUKQESDBLFA-KRWDZBQOSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C1CCCCC1 ZINC001717003789 1203576332 /nfs/dbraw/zinc/57/63/32/1203576332.db2.gz MCUDMZBFZCEKEV-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CN(C[C@H](F)CC)C[C@H]3C2)CCCC1 ZINC001717015280 1203577764 /nfs/dbraw/zinc/57/77/64/1203577764.db2.gz YCSINOYJCPKACD-IXDOHACOSA-N 0 3 322.468 3.261 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)/C=C/c1ccco1 ZINC001717113415 1203585763 /nfs/dbraw/zinc/58/57/63/1203585763.db2.gz QJWRDZZSEJHZAC-ZHACJKMWSA-N 0 3 310.397 3.227 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccns1 ZINC001717113231 1203585931 /nfs/dbraw/zinc/58/59/31/1203585931.db2.gz ULJZYGWOENGPAQ-UHFFFAOYSA-N 0 3 315.442 3.081 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)CC)cc1 ZINC001717115043 1203586619 /nfs/dbraw/zinc/58/66/19/1203586619.db2.gz IKNNNGMZIDVPOC-HOTGVXAUSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccsc2C)cc1 ZINC001717116058 1203587063 /nfs/dbraw/zinc/58/70/63/1203587063.db2.gz PZBPTWKFJHUOIM-ZDUSSCGKSA-N 0 3 312.438 3.270 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001717143989 1203590419 /nfs/dbraw/zinc/59/04/19/1203590419.db2.gz YNSUEZRDVSXEPN-JKSUJKDBSA-N 0 3 316.445 3.331 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001717154788 1203592294 /nfs/dbraw/zinc/59/22/94/1203592294.db2.gz NJJAKSLGOVPZLE-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001717194279 1203597064 /nfs/dbraw/zinc/59/70/64/1203597064.db2.gz ODDXCSNTZVJBBB-GOSISDBHSA-N 0 3 316.420 3.100 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](CCC)c1ccccc1 ZINC001717214996 1203604902 /nfs/dbraw/zinc/60/49/02/1203604902.db2.gz TVOKMEUCLXJSSB-LJQANCHMSA-N 0 3 314.473 3.374 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001717246857 1203609461 /nfs/dbraw/zinc/60/94/61/1203609461.db2.gz VDXQGWCQGJKQRE-FQEVSTJZSA-N 0 3 314.473 3.093 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@]2(CCN(CC#CC)C2)C1 ZINC001717246858 1203609842 /nfs/dbraw/zinc/60/98/42/1203609842.db2.gz VDXQGWCQGJKQRE-HXUWFJFHSA-N 0 3 314.473 3.093 20 30 DGEDHN C=CCCCC(=O)N1CCC(C)(NCc2oc(C)nc2C)CC1 ZINC001717301544 1203615008 /nfs/dbraw/zinc/61/50/08/1203615008.db2.gz UTEXIJFLKBVWPQ-UHFFFAOYSA-N 0 3 319.449 3.118 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001717311262 1203617329 /nfs/dbraw/zinc/61/73/29/1203617329.db2.gz XDGNDNIXSIMDMT-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC(C)(C)CC(F)F)C[C@@H]1C ZINC001717334633 1203619872 /nfs/dbraw/zinc/61/98/72/1203619872.db2.gz XDXKAUQHYHDBQE-UONOGXRCSA-N 0 3 314.420 3.050 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2ccncc2s1 ZINC001717340921 1203621584 /nfs/dbraw/zinc/62/15/84/1203621584.db2.gz IRPUFXAZHUKGAF-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN CC[C@H](C)CN1CCc2ccccc2[C@@H]1CNC(=O)C#CC1CC1 ZINC001717344847 1203623119 /nfs/dbraw/zinc/62/31/19/1203623119.db2.gz ZOJNDTXOMKKMSS-JXFKEZNVSA-N 0 3 324.468 3.162 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)SC ZINC001717360196 1203625135 /nfs/dbraw/zinc/62/51/35/1203625135.db2.gz QWXZFVXNLAMVJM-IXDOHACOSA-N 0 3 318.486 3.076 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCc1ccsc1 ZINC001717367454 1203626500 /nfs/dbraw/zinc/62/65/00/1203626500.db2.gz KEOLBEZXIZQISE-INIZCTEOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(C)cc(F)cc1C ZINC001717369467 1203627293 /nfs/dbraw/zinc/62/72/93/1203627293.db2.gz MIZFAFGIKAJNGS-MRXNPFEDSA-N 0 3 304.409 3.165 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](C)c1ccccc1 ZINC001717373083 1203628754 /nfs/dbraw/zinc/62/87/54/1203628754.db2.gz FWZRSAJCILBMOP-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H](C)c1ccccc1 ZINC001717373085 1203628948 /nfs/dbraw/zinc/62/89/48/1203628948.db2.gz FWZRSAJCILBMOP-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001717376035 1203629789 /nfs/dbraw/zinc/62/97/89/1203629789.db2.gz IZDGQVQZKZRNII-VNCLNFNDSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)c1ccc(F)cc1 ZINC001717375617 1203630771 /nfs/dbraw/zinc/63/07/71/1203630771.db2.gz ZIONSPDDTBDOID-QGZVFWFLSA-N 0 3 318.436 3.212 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397869 1203635706 /nfs/dbraw/zinc/63/57/06/1203635706.db2.gz XOGYLUYFTREPKH-HUUCEWRRSA-N 0 3 320.864 3.220 20 30 DGEDHN CC(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717398415 1203636234 /nfs/dbraw/zinc/63/62/34/1203636234.db2.gz DXSJNUNXVIADRS-KBPBESRZSA-N 0 3 319.424 3.116 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CCCC1CC1 ZINC001717423060 1203640807 /nfs/dbraw/zinc/64/08/07/1203640807.db2.gz OGXWXRLTXXDFKM-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C1CC1)C1CC1 ZINC001717459006 1203648814 /nfs/dbraw/zinc/64/88/14/1203648814.db2.gz MVNGFRNGKMZESH-UHFFFAOYSA-N 0 3 312.885 3.249 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1c(Cl)oc2ccccc21 ZINC001717485004 1203660071 /nfs/dbraw/zinc/66/00/71/1203660071.db2.gz BQPLGINBRICTOV-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(Cl)cc1Cl ZINC001717496887 1203665595 /nfs/dbraw/zinc/66/55/95/1203665595.db2.gz SJQBVGDUNZJCHH-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001717538049 1203676362 /nfs/dbraw/zinc/67/63/62/1203676362.db2.gz NTKMIAQXHONGGK-HUUCEWRRSA-N 0 3 314.420 3.052 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccccc2CC)C1 ZINC001717555348 1203681053 /nfs/dbraw/zinc/68/10/53/1203681053.db2.gz UWDVIPGSWCEGFM-OAHLLOKOSA-N 0 3 314.473 3.398 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717557938 1203681518 /nfs/dbraw/zinc/68/15/18/1203681518.db2.gz SDYFJKZILKLJNJ-STQMWFEESA-N 0 3 314.420 3.071 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001717559394 1203681722 /nfs/dbraw/zinc/68/17/22/1203681722.db2.gz 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CC#CCCCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001717798229 1203713517 /nfs/dbraw/zinc/71/35/17/1203713517.db2.gz KOFOMBUSTRIJRH-MAUKXSAKSA-N 0 3 316.420 3.098 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001717808009 1203714642 /nfs/dbraw/zinc/71/46/42/1203714642.db2.gz HIGPUXLGBJDXCP-BLLLJJGKSA-N 0 3 308.372 3.010 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001717820555 1203716336 /nfs/dbraw/zinc/71/63/36/1203716336.db2.gz TZNTYIJYWHUASS-MJGOQNOKSA-N 0 3 312.457 3.197 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001717820553 1203716445 /nfs/dbraw/zinc/71/64/45/1203716445.db2.gz TZNTYIJYWHUASS-HKUYNNGSSA-N 0 3 312.457 3.197 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCC3CCCC3)CCC[C@@H]12 ZINC001717834584 1203718706 /nfs/dbraw/zinc/71/87/06/1203718706.db2.gz VHRQXNQLSGAXLD-IEBWSBKVSA-N 0 3 302.462 3.093 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CC(C)(C)CC(F)F)[C@@H]1C ZINC001717856466 1203722546 /nfs/dbraw/zinc/72/25/46/1203722546.db2.gz 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CC#CCN1CC[C@]2(CCN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001723722725 1203990666 /nfs/dbraw/zinc/99/06/66/1203990666.db2.gz XEUXNVPFGAOWOI-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001723740202 1203991290 /nfs/dbraw/zinc/99/12/90/1203991290.db2.gz FJCMQMOCCOWXFT-MJGOQNOKSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cc(C)ns1 ZINC001723937636 1203999223 /nfs/dbraw/zinc/99/92/23/1203999223.db2.gz NICJPRCJNIUKJR-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H](CC)C(C)C)C2 ZINC001724125104 1204006217 /nfs/dbraw/zinc/00/62/17/1204006217.db2.gz ASPHLTXUBSJWGQ-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccccc2C)C1 ZINC001724176599 1204011588 /nfs/dbraw/zinc/01/15/88/1204011588.db2.gz XDEGVQAHIQWHPE-LJQANCHMSA-N 0 3 300.446 3.084 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CC(C)C ZINC001724653636 1204036417 /nfs/dbraw/zinc/03/64/17/1204036417.db2.gz KORXJMPNOUQOIW-KZNAEPCWSA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C=C(\C)C1CC1 ZINC001724736634 1204041547 /nfs/dbraw/zinc/04/15/47/1204041547.db2.gz ISPCSBKHRFJTGG-DTQAZKPQSA-N 0 3 310.441 3.114 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)CCC)cc1 ZINC001724748808 1204043107 /nfs/dbraw/zinc/04/31/07/1204043107.db2.gz KBVPPYMPVYAYCT-OAHLLOKOSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(C(F)F)CCC2)cc1 ZINC001724750613 1204043428 /nfs/dbraw/zinc/04/34/28/1204043428.db2.gz UADGOLDWHBAPBN-CYBMUJFWSA-N 0 3 320.383 3.022 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CC#CC)C1 ZINC001724868957 1204061219 /nfs/dbraw/zinc/06/12/19/1204061219.db2.gz SPIBQLYLMLMTMC-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001724892160 1204063393 /nfs/dbraw/zinc/06/33/93/1204063393.db2.gz DWWUAEVDBNUNPB-IBGZPJMESA-N 0 3 324.468 3.296 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC1CC1 ZINC001724892608 1204063458 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C=CCN(C)C[C@H]1CCCN1C(=O)Cc1coc2ccccc12 ZINC001725049037 1204086169 /nfs/dbraw/zinc/08/61/69/1204086169.db2.gz MBLJLFYDQXWXKY-MRXNPFEDSA-N 0 3 312.413 3.084 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CC(CNCc2nc(C)cs2)C1 ZINC001725068682 1204088959 /nfs/dbraw/zinc/08/89/59/1204088959.db2.gz YRYKMASVCCZWDQ-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN Cc1cc(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)c(C)o1 ZINC001725083651 1204090992 /nfs/dbraw/zinc/09/09/92/1204090992.db2.gz VJEBJVZGAKELIW-HOTGVXAUSA-N 0 3 324.424 3.045 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001725085919 1204091616 /nfs/dbraw/zinc/09/16/16/1204091616.db2.gz QVFOXIIPQBTINX-USCQQBMNSA-N 0 3 316.420 3.016 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ccns2)CCCC1 ZINC001725124316 1204099110 /nfs/dbraw/zinc/09/91/10/1204099110.db2.gz ZHVSRPUBNLDBNP-KBPBESRZSA-N 0 3 321.490 3.262 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001725138820 1204101780 /nfs/dbraw/zinc/10/17/80/1204101780.db2.gz ZJQYLOJPWLBEIT-ROUUACIJSA-N 0 3 312.457 3.267 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCc1nc(C)cs1 ZINC001725148271 1204103186 /nfs/dbraw/zinc/10/31/86/1204103186.db2.gz KKFVMOZMDAXASU-UHFFFAOYSA-N 0 3 323.506 3.238 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccccc2O)CCCCC1 ZINC001725217821 1204120887 /nfs/dbraw/zinc/12/08/87/1204120887.db2.gz LZUXMAINPMMNGB-UHFFFAOYSA-N 0 3 322.836 3.167 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2conc2C)CCCCC1 ZINC001725224379 1204121542 /nfs/dbraw/zinc/12/15/42/1204121542.db2.gz SUYQFLNGLFCCFO-UHFFFAOYSA-N 0 3 319.449 3.248 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001725265828 1204130328 /nfs/dbraw/zinc/13/03/28/1204130328.db2.gz LPHVYTNVDZHQDS-SJORKVTESA-N 0 3 314.473 3.186 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001725271306 1204130826 /nfs/dbraw/zinc/13/08/26/1204130826.db2.gz YQLWCSABGQIJKF-MRXNPFEDSA-N 0 3 314.473 3.367 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001725504009 1204160652 /nfs/dbraw/zinc/16/06/52/1204160652.db2.gz IDOREISMFREEPY-SJCJKPOMSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001725503164 1204160676 /nfs/dbraw/zinc/16/06/76/1204160676.db2.gz GKVNDEWPKFDJQH-DYVFJYSZSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001725517357 1204164577 /nfs/dbraw/zinc/16/45/77/1204164577.db2.gz UAMUHDCZZBIWNH-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C(C)(C)c1ccccc1Cl ZINC001725517168 1204164703 /nfs/dbraw/zinc/16/47/03/1204164703.db2.gz QWPJTRKHDOPULV-AWEZNQCLSA-N 0 3 320.864 3.077 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001725569771 1204169159 /nfs/dbraw/zinc/16/91/59/1204169159.db2.gz VTXUQFZUTDVPTC-VXGBXAGGSA-N 0 3 305.249 3.241 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)/C=C/C(C)(C)C ZINC001725585708 1204172117 /nfs/dbraw/zinc/17/21/17/1204172117.db2.gz OTRSSANCJQVVPI-JXGFJBPRSA-N 0 3 324.468 3.219 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001725585292 1204172328 /nfs/dbraw/zinc/17/23/28/1204172328.db2.gz GJRWCRPZNDLNDI-CJNGLKHVSA-N 0 3 320.383 3.014 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCc3cccc(C)c3)CCC[C@H]12 ZINC001725606970 1204178416 /nfs/dbraw/zinc/17/84/16/1204178416.db2.gz JKQBTIBWKLVNOO-PZJWPPBQSA-N 0 3 324.468 3.064 20 30 DGEDHN CC(C)(C)[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccoc1 ZINC001725734516 1204206377 /nfs/dbraw/zinc/20/63/77/1204206377.db2.gz AOYQIIFNAMRWML-SFHVURJKSA-N 0 3 324.424 3.065 20 30 DGEDHN CC(C)(C)C(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001725749083 1204211230 /nfs/dbraw/zinc/21/12/30/1204211230.db2.gz DZDOKKBAKWLWIM-QGZVFWFLSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C[C@H](C(=O)N[C@H](C)C1CCN(CC#CC)CC1)c1ccccc1 ZINC001725764584 1204216866 /nfs/dbraw/zinc/21/68/66/1204216866.db2.gz XCQZMBXYXZVJEL-XLIONFOSSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(F)ccc1CC)C(C)C ZINC001725767899 1204217283 /nfs/dbraw/zinc/21/72/83/1204217283.db2.gz SVBXIIYNPIVBMA-UHFFFAOYSA-N 0 3 318.436 3.194 20 30 DGEDHN CN(C(=O)C1CC(C)(C)C1)C1CC(NCC#Cc2ccccc2)C1 ZINC001725776497 1204219674 /nfs/dbraw/zinc/21/96/74/1204219674.db2.gz HYMFNYLVSKCEND-UHFFFAOYSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CC2CCCCCC2)CC1 ZINC001725777405 1204219998 /nfs/dbraw/zinc/21/99/98/1204219998.db2.gz WDRGLYRLOYPOQJ-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2cc(C)ccc2s1 ZINC001731276000 1204360645 /nfs/dbraw/zinc/36/06/45/1204360645.db2.gz XUVRNPYCGRSQSL-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC001731345328 1204380354 /nfs/dbraw/zinc/38/03/54/1204380354.db2.gz BUCDAUKAXKZZDG-AWEZNQCLSA-N 0 3 318.848 3.047 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CCC(F)(F)F)CC1 ZINC001731383431 1204389941 /nfs/dbraw/zinc/38/99/41/1204389941.db2.gz FHEHUFYOAQFPDP-UHFFFAOYSA-N 0 3 306.372 3.218 20 30 DGEDHN CCCCCC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001731393535 1204396221 /nfs/dbraw/zinc/39/62/21/1204396221.db2.gz NGNSDXFLMIKVCA-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC001731399028 1204397020 /nfs/dbraw/zinc/39/70/20/1204397020.db2.gz PBFOBNKSDVGXOH-OAHLLOKOSA-N 0 3 319.449 3.349 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 ZINC001731421807 1204408055 /nfs/dbraw/zinc/40/80/55/1204408055.db2.gz HSOIWABQWDLLHH-OAGGEKHMSA-N 0 3 318.486 3.321 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001731425774 1204409560 /nfs/dbraw/zinc/40/95/60/1204409560.db2.gz QBIGKHCTQNIXKX-HSFUPAIVSA-N 0 3 304.478 3.453 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001731431326 1204410814 /nfs/dbraw/zinc/41/08/14/1204410814.db2.gz QKQVVCNSMMWEOT-XWTMOSNGSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001731464392 1204421651 /nfs/dbraw/zinc/42/16/51/1204421651.db2.gz KRJNSDLTVNFHNT-CYAJLKFBSA-N 0 3 310.869 3.453 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001731484453 1204427677 /nfs/dbraw/zinc/42/76/77/1204427677.db2.gz AYZQAABYDVSPQQ-KDURUIRLSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#CC ZINC001731549789 1204456529 /nfs/dbraw/zinc/45/65/29/1204456529.db2.gz BSBWUOYIXJMBOD-ROUUACIJSA-N 0 3 302.462 3.212 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2(C)CCCCC2)C1 ZINC001731558147 1204460584 /nfs/dbraw/zinc/46/05/84/1204460584.db2.gz JHRHUBRVGSEWAR-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001731588720 1204474904 /nfs/dbraw/zinc/47/49/04/1204474904.db2.gz MCCMWCXPSXOGBF-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN CCC[C@](C)(CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001731627849 1204489152 /nfs/dbraw/zinc/48/91/52/1204489152.db2.gz WIAFWLLBDBFWOY-DYVFJYSZSA-N 0 3 321.490 3.430 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2c(F)cccc2F)C1 ZINC001731692310 1204506899 /nfs/dbraw/zinc/50/68/99/1204506899.db2.gz UPIAWZYIJCDBFH-KBPBESRZSA-N 0 3 322.399 3.448 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2scc(C)c2Cl)C1 ZINC001731712254 1204516682 /nfs/dbraw/zinc/51/66/82/1204516682.db2.gz FVCBODGZVSHHET-CYBMUJFWSA-N 0 3 324.877 3.270 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCN(C)Cc1ccc(C2CCCC2)cc1 ZINC001731767401 1204545286 /nfs/dbraw/zinc/54/52/86/1204545286.db2.gz XQUADQPCUZFNRM-HNNXBMFYSA-N 0 3 313.445 3.052 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001731783540 1204554840 /nfs/dbraw/zinc/55/48/40/1204554840.db2.gz NMVCJBUQDIBFCF-IBGZPJMESA-N 0 3 302.462 3.454 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001731794424 1204562986 /nfs/dbraw/zinc/56/29/86/1204562986.db2.gz KNXYTRQBLKWFRO-CYBMUJFWSA-N 0 3 306.475 3.111 20 30 DGEDHN CC[C@H](C)[C@@H](C)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001731812731 1204578609 /nfs/dbraw/zinc/57/86/09/1204578609.db2.gz KJNYETCRUDNAQX-JKSUJKDBSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC001732027189 1204654459 /nfs/dbraw/zinc/65/44/59/1204654459.db2.gz QGQKOCKILPMUIN-QAPCUYQASA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2nc(C)c(C)s2)C1 ZINC001732042630 1204664045 /nfs/dbraw/zinc/66/40/45/1204664045.db2.gz WDOGHAVGLHZNKA-HNNXBMFYSA-N 0 3 321.490 3.263 20 30 DGEDHN C=C[C@H](CC(=O)NCC[C@@H]1CCN(CCF)C1)c1ccccc1 ZINC001732058963 1204674328 /nfs/dbraw/zinc/67/43/28/1204674328.db2.gz DVKSHEFRPVPSEW-IAGOWNOFSA-N 0 3 318.436 3.144 20 30 DGEDHN C=C[C@@H](C(=O)N1CCC(CN(C)CCF)CC1)c1ccccc1 ZINC001732086267 1204687960 /nfs/dbraw/zinc/68/79/60/1204687960.db2.gz LJXHLZKTWRAVNZ-GOSISDBHSA-N 0 3 318.436 3.096 20 30 DGEDHN C#CCCCC(=O)NCC1CN(Cc2cccc3ccccc32)C1 ZINC001732124795 1204703486 /nfs/dbraw/zinc/70/34/86/1204703486.db2.gz KETGTMDSRXXTIC-UHFFFAOYSA-N 0 3 320.436 3.191 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001732127401 1204704505 /nfs/dbraw/zinc/70/45/05/1204704505.db2.gz LPFMYMIAAIHXIA-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN C=C[C@H](CC(=O)NCC1CN(CC[C@@H](C)F)C1)c1ccccc1 ZINC001732139228 1204710714 /nfs/dbraw/zinc/71/07/14/1204710714.db2.gz WRRDHCUXPYXOJI-NVXWUHKLSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCc1ccccc1 ZINC001732145513 1204712708 /nfs/dbraw/zinc/71/27/08/1204712708.db2.gz JOSZRNMUDZUBLH-OALUTQOASA-N 0 3 312.457 3.261 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001732167744 1204723559 /nfs/dbraw/zinc/72/35/59/1204723559.db2.gz CHMPUGPDCMSHAP-SFHVURJKSA-N 0 3 314.473 3.494 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001732175219 1204730033 /nfs/dbraw/zinc/73/00/33/1204730033.db2.gz XSABQEOPTPZBSU-ZWKOTPCHSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1cccc(Cl)n1)C1CC1 ZINC001732238906 1204766630 /nfs/dbraw/zinc/76/66/30/1204766630.db2.gz BYXLGMMXWMQWLF-KRWDZBQOSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCC(F)F)C1 ZINC001732273759 1204777951 /nfs/dbraw/zinc/77/79/51/1204777951.db2.gz JPHQDPAOZDQHKX-LBPRGKRZSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001732280382 1204778898 /nfs/dbraw/zinc/77/88/98/1204778898.db2.gz VHTHOXZOQRXSGG-GFCCVEGCSA-N 0 3 322.827 3.249 20 30 DGEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)/C=C/C(C)(C)C ZINC001732336109 1204797154 /nfs/dbraw/zinc/79/71/54/1204797154.db2.gz CPPSRNRAGMQAPM-FEAKQIBJSA-N 0 3 313.445 3.002 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)CC(C)(C)C ZINC001732411815 1204827998 /nfs/dbraw/zinc/82/79/98/1204827998.db2.gz RWMZBEOEBJKSFP-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nc(C)cs2)[C@H](C)C1 ZINC001732487618 1204868039 /nfs/dbraw/zinc/86/80/39/1204868039.db2.gz MNERFQFPAWKHGQ-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1ncccc1C)C(C)C ZINC001732565223 1204898850 /nfs/dbraw/zinc/89/88/50/1204898850.db2.gz BWDLXGVJCLVLQN-VQIMIIECSA-N 0 3 317.477 3.223 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1c(CC)oc2ccccc21 ZINC001732599555 1204918419 /nfs/dbraw/zinc/91/84/19/1204918419.db2.gz AVPMMJJEBVPRGP-UHFFFAOYSA-N 0 3 312.413 3.022 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001732600888 1204919072 /nfs/dbraw/zinc/91/90/72/1204919072.db2.gz YAGHUJMSNPGRHL-KRWDZBQOSA-N 0 3 302.462 3.140 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001732717464 1204932694 /nfs/dbraw/zinc/93/26/94/1204932694.db2.gz LFFOBCDFIHEWST-LLVKDONJSA-N 0 3 323.799 3.158 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2scnc2c1 ZINC001732740679 1204936192 /nfs/dbraw/zinc/93/61/92/1204936192.db2.gz LLNMIFJNTZTMLZ-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](CC)Cc1ccccc1C ZINC001732806640 1204946249 /nfs/dbraw/zinc/94/62/49/1204946249.db2.gz HZWHQAFQYUHBKH-GOSISDBHSA-N 0 3 314.473 3.025 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CN[C@H](C)c1ccc(F)cc1 ZINC001732887081 1204954578 /nfs/dbraw/zinc/95/45/78/1204954578.db2.gz HPJYMQCSIDMRPW-PSKZRQQASA-N 0 3 304.409 3.361 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001732900653 1204956531 /nfs/dbraw/zinc/95/65/31/1204956531.db2.gz FVGBSTOXKHEENX-BHGRFLGOSA-N 0 3 324.468 3.246 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001732900216 1204956912 /nfs/dbraw/zinc/95/69/12/1204956912.db2.gz MDEVVYDFEQTHLM-OLHLWXQYSA-N 0 3 315.461 3.063 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1)CC ZINC001732992106 1204975990 /nfs/dbraw/zinc/97/59/90/1204975990.db2.gz GHSPZLGYFRWGKX-HNNXBMFYSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2sc(C)nc2C)CC1 ZINC001733011739 1204981643 /nfs/dbraw/zinc/98/16/43/1204981643.db2.gz MRADCYDBNADJPN-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)/C=C\C(C)(C)C ZINC001733028572 1204987785 /nfs/dbraw/zinc/98/77/85/1204987785.db2.gz BLDQUADMOMAEPL-KVPUOBJLSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001733048392 1205000000 /nfs/dbraw/zinc/00/00/00/1205000000.db2.gz HWNLNDBVNFVBDF-CABCVRRESA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2c(s1)CCCCC2 ZINC001733063785 1205012607 /nfs/dbraw/zinc/01/26/07/1205012607.db2.gz RJKGHDHIOGVSNW-ZDUSSCGKSA-N 0 3 306.475 3.253 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001733216603 1205047555 /nfs/dbraw/zinc/04/75/55/1205047555.db2.gz WWKCVXMTANNRME-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001733216606 1205048554 /nfs/dbraw/zinc/04/85/54/1205048554.db2.gz WXPJTAYSSLDHGG-QWHCGFSZSA-N 0 3 323.387 3.178 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001733225086 1205055267 /nfs/dbraw/zinc/05/52/67/1205055267.db2.gz FHTQVIRUJTWMKX-KOHRHEQBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001733228348 1205057603 /nfs/dbraw/zinc/05/76/03/1205057603.db2.gz DRUJFGDIFXAGSE-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCC)C(C)C ZINC001733276243 1205079068 /nfs/dbraw/zinc/07/90/68/1205079068.db2.gz QJQBBNUXKQLXDL-SQNIBIBYSA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001733283060 1205081781 /nfs/dbraw/zinc/08/17/81/1205081781.db2.gz DFMOKTVNDTUDSF-HDICACEKSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001733283866 1205082059 /nfs/dbraw/zinc/08/20/59/1205082059.db2.gz NAGUTQCXCYZXNL-HDICACEKSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cccc(C(F)F)c2)CC1 ZINC001733359906 1205105625 /nfs/dbraw/zinc/10/56/25/1205105625.db2.gz MRCHUMGQJIVBNK-UHFFFAOYSA-N 0 3 322.399 3.323 20 30 DGEDHN C#CCN(C(=O)C1C(C)(C)C1(C)C)C1CCN(CC(=C)C)CC1 ZINC001733367030 1205107884 /nfs/dbraw/zinc/10/78/84/1205107884.db2.gz CDPJCPQSERBPEJ-UHFFFAOYSA-N 0 3 316.489 3.171 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001733412250 1205124194 /nfs/dbraw/zinc/12/41/94/1205124194.db2.gz KXYKNICCGNEYRW-SJLPKXTDSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCCCCC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001733448205 1205135765 /nfs/dbraw/zinc/13/57/65/1205135765.db2.gz WZJLPFJIYYBJNM-XFFZJAGNSA-N 0 3 310.869 3.151 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cccc3ccccc32)CC1 ZINC001733453787 1205138157 /nfs/dbraw/zinc/13/81/57/1205138157.db2.gz VEPWVRGCECMEJV-UHFFFAOYSA-N 0 3 320.436 3.305 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001733453818 1205138251 /nfs/dbraw/zinc/13/82/51/1205138251.db2.gz WKGOSRFKCUZCLO-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001733461074 1205143490 /nfs/dbraw/zinc/14/34/90/1205143490.db2.gz SMPBODQRKYHQCP-FQEVSTJZSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(F)c2C)C1 ZINC001733463083 1205144471 /nfs/dbraw/zinc/14/44/71/1205144471.db2.gz ZKKNYZWMCVHZFT-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001733463518 1205145657 /nfs/dbraw/zinc/14/56/57/1205145657.db2.gz QTIUPFXQJAYNRX-GNBUJSLZSA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(CC)CCCC2)C1 ZINC001733466235 1205146614 /nfs/dbraw/zinc/14/66/14/1205146614.db2.gz ZAJFKOBFSPFIDU-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001733468097 1205147274 /nfs/dbraw/zinc/14/72/74/1205147274.db2.gz MFZZVKOPIQMWKY-FQEVSTJZSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1[nH]ccc1C)c1ccccc1CC ZINC001733516513 1205151896 /nfs/dbraw/zinc/15/18/96/1205151896.db2.gz CDIFXDJBXFPMDI-KRWDZBQOSA-N 0 3 311.429 3.132 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1(C)CC=CC1)c1ccccc1CC ZINC001733518930 1205152901 /nfs/dbraw/zinc/15/29/01/1205152901.db2.gz SFRYQXXEGPNJLJ-LJQANCHMSA-N 0 3 324.468 3.376 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC001733532573 1205156311 /nfs/dbraw/zinc/15/63/11/1205156311.db2.gz ZQKOTLPBYZOSMB-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001733676180 1205180994 /nfs/dbraw/zinc/18/09/94/1205180994.db2.gz LHHJVSCRDGNVIK-ODZFXCKXSA-N 0 3 324.896 3.393 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC001733680206 1205182667 /nfs/dbraw/zinc/18/26/67/1205182667.db2.gz HEAUUXNFWCSUPG-AWEZNQCLSA-N 0 3 310.372 3.040 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)C(C)(F)F ZINC001733680671 1205182704 /nfs/dbraw/zinc/18/27/04/1205182704.db2.gz WNMJMAFFYXIDPK-AWEZNQCLSA-N 0 3 322.399 3.049 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(F)=C2CCCC2)cc1 ZINC001733682153 1205184216 /nfs/dbraw/zinc/18/42/16/1205184216.db2.gz OXEOZULESDGPFK-AWEZNQCLSA-N 0 3 314.404 3.384 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)c2ccc(C)o2)cc1 ZINC001733685168 1205184815 /nfs/dbraw/zinc/18/48/15/1205184815.db2.gz WBDRYDIEGUTWOR-CVEARBPZSA-N 0 3 324.424 3.292 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)c2ccc(C)o2)cc1 ZINC001733685171 1205184831 /nfs/dbraw/zinc/18/48/31/1205184831.db2.gz WBDRYDIEGUTWOR-JKSUJKDBSA-N 0 3 324.424 3.292 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2cc(F)cc(F)c2)CCC1 ZINC001733722900 1205194511 /nfs/dbraw/zinc/19/45/11/1205194511.db2.gz MDVVLPIMJFSMEV-UHFFFAOYSA-N 0 3 322.399 3.450 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001733753398 1205198085 /nfs/dbraw/zinc/19/80/85/1205198085.db2.gz GJXJWXUFOSENKL-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](CCC=C)c2ccccc2)CC1 ZINC001733766648 1205205076 /nfs/dbraw/zinc/20/50/76/1205205076.db2.gz XNVSZIZFIVBEQO-PMACEKPBSA-N 0 3 324.468 3.340 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001733774581 1205210720 /nfs/dbraw/zinc/21/07/20/1205210720.db2.gz XIWDATCHXZMDRA-WGSAOQKQSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CCc1cccc(Cl)c1 ZINC001733779012 1205215319 /nfs/dbraw/zinc/21/53/19/1205215319.db2.gz KSRWJUCBNRDGEB-UHFFFAOYSA-N 0 3 320.864 3.076 20 30 DGEDHN C=CCC[C@H](C)N1Cc2ccccc2C[C@@H]1CNC(=O)C(F)F ZINC001733809066 1205222635 /nfs/dbraw/zinc/22/26/35/1205222635.db2.gz RPWFRXTUXHMCLI-XJKSGUPXSA-N 0 3 322.399 3.149 20 30 DGEDHN CC(C)(C)C#CC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001733836476 1205227057 /nfs/dbraw/zinc/22/70/57/1205227057.db2.gz UYAULXKQZAMBIY-UHFFFAOYSA-N 0 3 324.468 3.468 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1sccc1C ZINC001733922822 1205255511 /nfs/dbraw/zinc/25/55/11/1205255511.db2.gz GGEGDLPIXPHXJC-IAGOWNOFSA-N 0 3 324.449 3.065 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001733956362 1205270463 /nfs/dbraw/zinc/27/04/63/1205270463.db2.gz DIKBCJVSKLADHJ-OIBGERBOSA-N 0 3 312.885 3.440 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001733966054 1205273977 /nfs/dbraw/zinc/27/39/77/1205273977.db2.gz XHXVIFJVZAYKDJ-LSDHHAIUSA-N 0 3 318.436 3.096 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1(C)CCCC1 ZINC001733984406 1205278944 /nfs/dbraw/zinc/27/89/44/1205278944.db2.gz LTMUBMLRVZUNBY-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C(C)(C)c1ccccc1Cl ZINC001734061554 1205312034 /nfs/dbraw/zinc/31/20/34/1205312034.db2.gz GRUFMJCYXVBJSV-ZDUSSCGKSA-N 0 3 308.853 3.240 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCc1ccccc1 ZINC001734105571 1205325526 /nfs/dbraw/zinc/32/55/26/1205325526.db2.gz FIDXQBNOZQMVKN-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCCc2ccccc2)C1 ZINC001734120117 1205329452 /nfs/dbraw/zinc/32/94/52/1205329452.db2.gz MWICWSNKPKEYGS-QGZVFWFLSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001734212403 1205344278 /nfs/dbraw/zinc/34/42/78/1205344278.db2.gz JXSVSMIEIKUDHW-YHUYYLMFSA-N 0 3 324.896 3.462 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC001734259812 1205350589 /nfs/dbraw/zinc/35/05/89/1205350589.db2.gz JFAOMCKTJWEOHU-KBPBESRZSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C(C)(C)C(F)(F)F ZINC001734259293 1205350851 /nfs/dbraw/zinc/35/08/51/1205350851.db2.gz SLWVFCFUSOHASZ-JTQLQIEISA-N 0 3 314.779 3.202 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1ccnc(Cl)c1)C1CC1 ZINC001734297710 1205359212 /nfs/dbraw/zinc/35/92/12/1205359212.db2.gz QJILREJSGLUXBG-OAHLLOKOSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001734343354 1205367799 /nfs/dbraw/zinc/36/77/99/1205367799.db2.gz FFJODAURJGKELY-PXAZEXFGSA-N 0 3 323.506 3.299 20 30 DGEDHN C#CCCCCCC(=O)N[C@]12CCC[C@@H]1N(C[C@@H](F)CC)CC2 ZINC001734438035 1205377482 /nfs/dbraw/zinc/37/74/82/1205377482.db2.gz KGKBFFAYFAYJLA-LNLFQRSKSA-N 0 3 322.468 3.431 20 30 DGEDHN C=C[C@H](C(=O)N[C@@]12CCC[C@H]1N(CC#CC)CC2)c1ccccc1 ZINC001734447058 1205378639 /nfs/dbraw/zinc/37/86/39/1205378639.db2.gz XZGDHSZXOLBKEN-QKNQBKEWSA-N 0 3 322.452 3.093 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C=C)c3ccccc3)CCC[C@@H]12 ZINC001734447557 1205378646 /nfs/dbraw/zinc/37/86/46/1205378646.db2.gz ZSHOYDYGMIAACU-FBBABVLZSA-N 0 3 322.452 3.093 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2nc(C)c(C)s2)C1 ZINC001734471940 1205384399 /nfs/dbraw/zinc/38/43/99/1205384399.db2.gz VQIYCNTXBRJVMT-GJZGRUSLSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C1Cc2ccccc2C1)C(C)C ZINC001734551333 1205391165 /nfs/dbraw/zinc/39/11/65/1205391165.db2.gz QLSKFOBOTSRBLZ-UHFFFAOYSA-N 0 3 314.473 3.146 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001734571613 1205397348 /nfs/dbraw/zinc/39/73/48/1205397348.db2.gz WTURYTXCXAZCFG-MRXNPFEDSA-N 0 3 317.477 3.304 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(C3CCCCC3)CC2)CC1 ZINC001734577563 1205399461 /nfs/dbraw/zinc/39/94/61/1205399461.db2.gz GFLBOQWTLRXWEH-MRXNPFEDSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C(C)(C)c2ccccc2C)CC1 ZINC001734639322 1205408221 /nfs/dbraw/zinc/40/82/21/1205408221.db2.gz NSCLJSMAGOEBQT-UHFFFAOYSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCCCCCC[N@@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573282268 946688439 /nfs/dbraw/zinc/68/84/39/946688439.db2.gz HPNDQDFAJCRXDE-UHFFFAOYSA-N 0 3 323.444 3.438 20 30 DGEDHN C#CCCCCCC[N@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573282268 946688447 /nfs/dbraw/zinc/68/84/47/946688447.db2.gz HPNDQDFAJCRXDE-UHFFFAOYSA-N 0 3 323.444 3.438 20 30 DGEDHN C#CCCCCCC[N@@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573282268 946688453 /nfs/dbraw/zinc/68/84/53/946688453.db2.gz HPNDQDFAJCRXDE-UHFFFAOYSA-N 0 3 323.444 3.438 20 30 DGEDHN C#CCCCCCC[N@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573282268 946688459 /nfs/dbraw/zinc/68/84/59/946688459.db2.gz HPNDQDFAJCRXDE-UHFFFAOYSA-N 0 3 323.444 3.438 20 30 DGEDHN N#CC12CCC(Nc3cc4c(cc3[N+](=O)[O-])CNC4)(CC1)CC2 ZINC001169750953 1081642164 /nfs/dbraw/zinc/64/21/64/1081642164.db2.gz PMWHWNFVGMYYSR-UHFFFAOYSA-N 0 3 312.373 3.226 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2c(o1)c(F)ccc2C ZINC001266301124 1081647144 /nfs/dbraw/zinc/64/71/44/1081647144.db2.gz DVHXFHFRTRNDHF-UHFFFAOYSA-N 0 3 304.365 3.118 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2ccc(F)cc2s1 ZINC001282426656 1081651834 /nfs/dbraw/zinc/65/18/34/1081651834.db2.gz TYXZRHWVTPUPAJ-NSHDSACASA-N 0 3 306.406 3.277 20 30 DGEDHN C[Si](C)(C)CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001169809634 1081658143 /nfs/dbraw/zinc/65/81/43/1081658143.db2.gz ATLJQLWKQQHKCN-UHFFFAOYSA-N 0 3 307.901 3.211 20 30 DGEDHN CC(C)(C)OC(=O)O[C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC001208920352 1081667709 /nfs/dbraw/zinc/66/77/09/1081667709.db2.gz GQPHRTVNOVKSSQ-INIZCTEOSA-N 0 3 316.401 3.127 20 30 DGEDHN C#C[C@H](NC(=O)CN(C)CC(C)(C)C)c1ccc(Cl)cc1 ZINC001625820947 1081675275 /nfs/dbraw/zinc/67/52/75/1081675275.db2.gz CHGPZFOTZRRWTJ-HNNXBMFYSA-N 0 3 306.837 3.108 20 30 DGEDHN C=CC1(CC(=O)NCCN(C)C[C@@H]2CC[C@H](C)O2)CCCCC1 ZINC001266337256 1081677948 /nfs/dbraw/zinc/67/79/48/1081677948.db2.gz CFKOPIIGVSQTPT-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC001266345774 1081687796 /nfs/dbraw/zinc/68/77/96/1081687796.db2.gz YEOGFOAAWXYKID-RBUKOAKNSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001266349683 1081691275 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CCN(CCNC(=O)C#CC(C)C)[C@H](C)c1ccc(F)c(F)c1 ZINC001266388175 1081729229 /nfs/dbraw/zinc/72/92/29/1081729229.db2.gz UUGGBUTYPALKSH-CQSZACIVSA-N 0 3 322.399 3.123 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)no1)C2 ZINC001108922416 1081734386 /nfs/dbraw/zinc/73/43/86/1081734386.db2.gz MNKTXBBWZPHPQR-PMPSAXMXSA-N 0 3 317.433 3.065 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cs1)C2 ZINC001109237644 1081789184 /nfs/dbraw/zinc/78/91/84/1081789184.db2.gz KDDKMDWYLCGKEW-ILXRZTDVSA-N 0 3 304.459 3.358 20 30 DGEDHN Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109260115 1081793198 /nfs/dbraw/zinc/79/31/98/1081793198.db2.gz BEOXYCSJBGTLIW-QYZOEREBSA-N 0 3 324.468 3.266 20 30 DGEDHN C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001109281654 1081794772 /nfs/dbraw/zinc/79/47/72/1081794772.db2.gz OTPMNWCVEUGCPK-SQNIBIBYSA-N 0 3 320.477 3.047 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[C@@H](C)CC)C2 ZINC001109333042 1081800700 /nfs/dbraw/zinc/80/07/00/1081800700.db2.gz LGIYDLQBJHHJKI-MHORFTMASA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCC1(C(=O)NCCN(CC)C[C@H]2CC[C@H](C)O2)CCCC1 ZINC001266440581 1081820155 /nfs/dbraw/zinc/82/01/55/1081820155.db2.gz YQUNZMVKUHSREO-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C/C=C(\C)C(=O)N1CCC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001266452808 1081843295 /nfs/dbraw/zinc/84/32/95/1081843295.db2.gz RQWMVUBZDVQJEW-KZVITGMHSA-N 0 3 324.468 3.175 20 30 DGEDHN C/C=C(/C)C(=O)N1CCC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001266452807 1081844159 /nfs/dbraw/zinc/84/41/59/1081844159.db2.gz RQWMVUBZDVQJEW-CNYUDZHQSA-N 0 3 324.468 3.175 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001266464551 1081860900 /nfs/dbraw/zinc/86/09/00/1081860900.db2.gz CLWMVRIEWIRSTH-GOSISDBHSA-N 0 3 300.446 3.432 20 30 DGEDHN CN1CC[C@H](Nc2cc(Br)cc(Cl)c2C#N)C1 ZINC001167278362 1081883805 /nfs/dbraw/zinc/88/38/05/1081883805.db2.gz GSSNYZOOURRWEJ-VIFPVBQESA-N 0 3 314.614 3.090 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109634368 1081889320 /nfs/dbraw/zinc/88/93/20/1081889320.db2.gz KUMYRVAFKMNRHO-BDXSIMOUSA-N 0 3 322.493 3.125 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001266489727 1081890866 /nfs/dbraw/zinc/89/08/66/1081890866.db2.gz PCILPOKJNNJYQH-KFWWJZLASA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001266489894 1081891066 /nfs/dbraw/zinc/89/10/66/1081891066.db2.gz UZESRABTEHRBJF-BHYGNILZSA-N 0 3 302.462 3.207 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001266491274 1081891840 /nfs/dbraw/zinc/89/18/40/1081891840.db2.gz JHMGOZIUZGFKED-VXNCWWDNSA-N 0 3 302.462 3.373 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001266494745 1081895659 /nfs/dbraw/zinc/89/56/59/1081895659.db2.gz YMVIIOSMYLVQJX-HRCADAONSA-N 0 3 308.441 3.156 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(F)(F)F)C2 ZINC001109754960 1081907444 /nfs/dbraw/zinc/90/74/44/1081907444.db2.gz ZHUBNAPJHFESSL-AGIUHOORSA-N 0 3 304.356 3.017 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001086548774 1081986144 /nfs/dbraw/zinc/98/61/44/1081986144.db2.gz CFOJYPPWNJFLIO-WJYNOGRTSA-N 0 3 318.848 3.026 20 30 DGEDHN C#CCCCCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001112775059 1082002118 /nfs/dbraw/zinc/00/21/18/1082002118.db2.gz DUEIMUBMLVIKDG-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCO[C@@H](C)CC(C)C)CC1 ZINC001112837675 1082020722 /nfs/dbraw/zinc/02/07/22/1082020722.db2.gz QWYHIDNIFWGJSP-MSOLQXFVSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001086561895 1082021385 /nfs/dbraw/zinc/02/13/85/1082021385.db2.gz QYMWROAFKYXOOE-KKUMJFAQSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN([C@@H](C)CCC=C)CC1 ZINC001112850668 1082023376 /nfs/dbraw/zinc/02/33/76/1082023376.db2.gz AAWFKQZLVAWUFA-SFHVURJKSA-N 0 3 322.493 3.248 20 30 DGEDHN CC(C)CCC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001170087336 1082050926 /nfs/dbraw/zinc/05/09/26/1082050926.db2.gz CWSXUYGACXGETR-MRXNPFEDSA-N 0 3 300.450 3.290 20 30 DGEDHN C=CCN(CCNC(=O)c1csc2c1CCCC2)C1CC1 ZINC001266619627 1082085028 /nfs/dbraw/zinc/08/50/28/1082085028.db2.gz VKWNHCQWSIRXSK-UHFFFAOYSA-N 0 3 304.459 3.007 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1sc(CCC)nc1C)C1CC1 ZINC001266619360 1082085190 /nfs/dbraw/zinc/08/51/90/1082085190.db2.gz JTXLTCSRSSPDRC-UHFFFAOYSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 ZINC001266652400 1082115821 /nfs/dbraw/zinc/11/58/21/1082115821.db2.gz ZDGKEQJOTCMMIF-AYHJJNSGSA-N 0 3 313.445 3.050 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)Cc2ccco2)CC1 ZINC001167440310 1082130536 /nfs/dbraw/zinc/13/05/36/1082130536.db2.gz JMQKHMGFNKISDO-CYBMUJFWSA-N 0 3 324.852 3.087 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001113258030 1082149937 /nfs/dbraw/zinc/14/99/37/1082149937.db2.gz VWQFBUBPVZNBIZ-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C[C@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266707795 1082159043 /nfs/dbraw/zinc/15/90/43/1082159043.db2.gz DYYLAYLSGPHSJV-FFGOWVMKSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCCCCCCN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001167457705 1082163566 /nfs/dbraw/zinc/16/35/66/1082163566.db2.gz IXJUYGZXSKYNRB-UHFFFAOYSA-N 0 3 317.477 3.268 20 30 DGEDHN C=CCCCCCN(C)CC(=O)N(CC(F)(F)F)C(C)C ZINC001167461868 1082175639 /nfs/dbraw/zinc/17/56/39/1082175639.db2.gz UNLZOIMAVXZGCD-UHFFFAOYSA-N 0 3 308.388 3.464 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001086595300 1082231437 /nfs/dbraw/zinc/23/14/37/1082231437.db2.gz VSGCMUFPXTUJPP-FFZOFVMBSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)Cc1ccccc1 ZINC001167488682 1082268755 /nfs/dbraw/zinc/26/87/55/1082268755.db2.gz HMHPYZVJECMTRE-MRXNPFEDSA-N 0 3 308.853 3.104 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC001266856149 1082271121 /nfs/dbraw/zinc/27/11/21/1082271121.db2.gz KGZNUGCZUHIPTD-JKSUJKDBSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001266859019 1082276441 /nfs/dbraw/zinc/27/64/41/1082276441.db2.gz WCPMEFLZSNKMPI-ZWKOTPCHSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCC[C@@H]1CNCCF)c1ccccc1 ZINC001266883556 1082300610 /nfs/dbraw/zinc/30/06/10/1082300610.db2.gz CBBCUUDYJRGQKC-SJLPKXTDSA-N 0 3 318.436 3.287 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC2CCCCC2)C1 ZINC001266890012 1082306834 /nfs/dbraw/zinc/30/68/34/1082306834.db2.gz LHUYUBFGQYYMGL-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnccc2C)C1 ZINC001266893009 1082312074 /nfs/dbraw/zinc/31/20/74/1082312074.db2.gz PCTOXJXXENWDHW-DLBZAZTESA-N 0 3 315.461 3.073 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001266918915 1082340124 /nfs/dbraw/zinc/34/01/24/1082340124.db2.gz AGHPTYBWZVAWJX-OAHLLOKOSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1CN(C[C@@H](F)CC)C2 ZINC001111762907 1082353043 /nfs/dbraw/zinc/35/30/43/1082353043.db2.gz VAGXQMMCNCJNRN-MPGHIAIKSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)NCc1ccc(OC)c(F)c1 ZINC001266968555 1082387707 /nfs/dbraw/zinc/38/77/07/1082387707.db2.gz SIKLSZNQICJAQF-SCLBCKFNSA-N 0 3 322.424 3.031 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1ncc(C)s1 ZINC001170424729 1082388352 /nfs/dbraw/zinc/38/83/52/1082388352.db2.gz DGXDEPOOGSEUAM-CQSZACIVSA-N 0 3 321.490 3.020 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001266981294 1082400685 /nfs/dbraw/zinc/40/06/85/1082400685.db2.gz HBIKVDFPQLXWLO-UKRRQHHQSA-N 0 3 319.424 3.118 20 30 DGEDHN CCC1(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)CCCC1 ZINC001266982462 1082403901 /nfs/dbraw/zinc/40/39/01/1082403901.db2.gz ACDUWLULPNRCHV-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC001267082670 1082488057 /nfs/dbraw/zinc/48/80/57/1082488057.db2.gz SFKAPGWXTPDMGE-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC(CC)CC)CC1 ZINC001167546040 1082490984 /nfs/dbraw/zinc/49/09/84/1082490984.db2.gz KSBKOHSGQMQZMS-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001267101636 1082515273 /nfs/dbraw/zinc/51/52/73/1082515273.db2.gz WEOLJKUDQDXTNQ-HZPDHXFCSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001267101636 1082515276 /nfs/dbraw/zinc/51/52/76/1082515276.db2.gz WEOLJKUDQDXTNQ-HZPDHXFCSA-N 0 3 316.445 3.283 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001267117177 1082534862 /nfs/dbraw/zinc/53/48/62/1082534862.db2.gz QBENAEFDDXTERP-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001167573210 1082536526 /nfs/dbraw/zinc/53/65/26/1082536526.db2.gz HTAHIWXCWJYNMM-HOTGVXAUSA-N 0 3 324.896 3.441 20 30 DGEDHN C=C(Br)CN[C@H](C)CCNC(=O)C=C(CC)CC ZINC001267127858 1082545346 /nfs/dbraw/zinc/54/53/46/1082545346.db2.gz NIQNRUAKZQNLKW-GFCCVEGCSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(C)CCC(F)(F)CC1 ZINC001267134172 1082551395 /nfs/dbraw/zinc/55/13/95/1082551395.db2.gz RIMVBHRWCSBXRT-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2sccc2C)C1 ZINC001086631272 1082552478 /nfs/dbraw/zinc/55/24/78/1082552478.db2.gz OSFYBNIPRWXUMY-QWHCGFSZSA-N 0 3 312.866 3.297 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCO[C@@H](C)CC(C)C ZINC001157930300 1082553401 /nfs/dbraw/zinc/55/34/01/1082553401.db2.gz AXKCFNBWPORFFD-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c[nH]c2ccccc21 ZINC001267138565 1082555879 /nfs/dbraw/zinc/55/58/79/1082555879.db2.gz WSKPOSAXNCJDMB-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2cnc(C)o2)CCCC1 ZINC001267156282 1082576669 /nfs/dbraw/zinc/57/66/69/1082576669.db2.gz PZUVAFIPQNFHNW-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@@H](C)SC ZINC001267164398 1082587912 /nfs/dbraw/zinc/58/79/12/1082587912.db2.gz DXFGUUXIYVNTNT-ZIAGYGMSSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)Cc1occc1C ZINC001267174279 1082597700 /nfs/dbraw/zinc/59/77/00/1082597700.db2.gz HBZGGJUIOYFZDL-OAHLLOKOSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cscc2C)C1 ZINC001086667433 1082666237 /nfs/dbraw/zinc/66/62/37/1082666237.db2.gz IHAUCYDPLMTJGS-QWHCGFSZSA-N 0 3 312.866 3.297 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CCCCC)C1 ZINC001111894500 1082676932 /nfs/dbraw/zinc/67/69/32/1082676932.db2.gz HTTOAQPPUWTYLC-AOIWGVFYSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCC[C@H](CC)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001131485431 1082680832 /nfs/dbraw/zinc/68/08/32/1082680832.db2.gz ZHGSLWRXAYASHU-AWEZNQCLSA-N 0 3 321.490 3.432 20 30 DGEDHN C=C(Br)CNCCCNC(=O)[C@@H](C)CC(C)(C)C ZINC001167663663 1082685590 /nfs/dbraw/zinc/68/55/90/1082685590.db2.gz FYPAFJAUTLMVSK-NSHDSACASA-N 0 3 319.287 3.063 20 30 DGEDHN C=CCCCCCN1CCC[C@H]1CNC(=O)c1ccns1 ZINC001267268568 1082727462 /nfs/dbraw/zinc/72/74/62/1082727462.db2.gz APDJPBMCFCGKJP-AWEZNQCLSA-N 0 3 307.463 3.084 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001267280062 1082741918 /nfs/dbraw/zinc/74/19/18/1082741918.db2.gz QPMFSYCZNAELAJ-DLBZAZTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCc2ccccc2F)C1 ZINC001131895409 1082761824 /nfs/dbraw/zinc/76/18/24/1082761824.db2.gz IMUJMGZLODIPMF-RDJZCZTQSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001131895894 1082762950 /nfs/dbraw/zinc/76/29/50/1082762950.db2.gz MYGAGDNMZVNHRH-WMZOPIPTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131934531 1082764936 /nfs/dbraw/zinc/76/49/36/1082764936.db2.gz KSGPDBGAYJHHGX-CVEARBPZSA-N 0 3 322.493 3.317 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](CCC)CC2CCCCC2)C1 ZINC001267302378 1082765406 /nfs/dbraw/zinc/76/54/06/1082765406.db2.gz CXPNFIJGROBUKF-MOPGFXCFSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)N(CCOC(C)C)C1 ZINC001132056698 1082802783 /nfs/dbraw/zinc/80/27/83/1082802783.db2.gz BWODKGNVCDVDQT-FUHWJXTLSA-N 0 3 322.493 3.149 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132061080 1082804882 /nfs/dbraw/zinc/80/48/82/1082804882.db2.gz OWFFPMKLEOMQMQ-HZPDHXFCSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CC)C1 ZINC001211609241 1082805437 /nfs/dbraw/zinc/80/54/37/1082805437.db2.gz MTVKMBNVSLAVEQ-RBUKOAKNSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2c(s1)CC[C@H](C)C2)C1CC1 ZINC001267337187 1082815753 /nfs/dbraw/zinc/81/57/53/1082815753.db2.gz KFIJXGOTGDOWBY-ZDUSSCGKSA-N 0 3 318.486 3.253 20 30 DGEDHN C#CCCCC(=O)N(C)CCN[C@H](CC)c1ccc(F)cc1F ZINC001267366381 1082837329 /nfs/dbraw/zinc/83/73/29/1082837329.db2.gz FFWUBDVPBWQQRL-QGZVFWFLSA-N 0 3 322.399 3.267 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001267377861 1082847852 /nfs/dbraw/zinc/84/78/52/1082847852.db2.gz UCWLTWAAMVAMFE-OTWHNJEPSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)c1ccccc1 ZINC001267383198 1082857523 /nfs/dbraw/zinc/85/75/23/1082857523.db2.gz YNRADPBEFJDCKE-FXAWDEMLSA-N 0 3 322.452 3.498 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CCCC)CC2)CC[C@H]1C ZINC001132278778 1082868373 /nfs/dbraw/zinc/86/83/73/1082868373.db2.gz QRPXAEXOCWAMQA-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC1(C(=O)N[C@H]2CC[C@H](C)N(CCOC(C)C)C2)CC1 ZINC001132277302 1082869038 /nfs/dbraw/zinc/86/90/38/1082869038.db2.gz FGOYYYBPLXKBRE-IRXDYDNUSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001132304405 1082876117 /nfs/dbraw/zinc/87/61/17/1082876117.db2.gz NLGPMDAMVHNJGT-LBPRGKRZSA-N 0 3 310.388 3.334 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001132304563 1082876290 /nfs/dbraw/zinc/87/62/90/1082876290.db2.gz UYGRMWIHONFARV-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001132375578 1082894199 /nfs/dbraw/zinc/89/41/99/1082894199.db2.gz FSKZKXVFDLXORL-GJZGRUSLSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CC)CCCC2)CC[C@@H]1C ZINC001132396194 1082897711 /nfs/dbraw/zinc/89/77/11/1082897711.db2.gz BPDZWPPFLFUYLH-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CCCCC1 ZINC001087267675 1082911164 /nfs/dbraw/zinc/91/11/64/1082911164.db2.gz FPCZALZFSOFNAG-FGTMMUONSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(CC)cc2)CC[C@@H]1C ZINC001132481517 1082922382 /nfs/dbraw/zinc/92/23/82/1082922382.db2.gz GTZLJLFEKJJEOU-QFBILLFUSA-N 0 3 314.473 3.337 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCCCCOCC)CC[C@H]1C ZINC001132530615 1082935110 /nfs/dbraw/zinc/93/51/10/1082935110.db2.gz ZRPBHWNEYCUFOQ-IAGOWNOFSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)s2)CC[C@@H]1C ZINC001132541177 1082936939 /nfs/dbraw/zinc/93/69/39/1082936939.db2.gz BFAUCDIOZHGPHD-DZGCQCFKSA-N 0 3 306.475 3.144 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001170621476 1082938776 /nfs/dbraw/zinc/93/87/76/1082938776.db2.gz LHGKKRMEAVBTGR-UHFFFAOYSA-N 0 3 322.880 3.375 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC(C)(C)C1 ZINC001087284737 1082945075 /nfs/dbraw/zinc/94/50/75/1082945075.db2.gz NBXRKNOAURFPSQ-IXDOHACOSA-N 0 3 316.489 3.051 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C3=CCCCCC3)C(C)(C)[C@H]21 ZINC001087285122 1082947115 /nfs/dbraw/zinc/94/71/15/1082947115.db2.gz SSHCUNIFESUAFZ-SQNIBIBYSA-N 0 3 314.473 3.115 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001132565817 1082947420 /nfs/dbraw/zinc/94/74/20/1082947420.db2.gz ZQZCFNHMUUSEMN-HZPDHXFCSA-N 0 3 318.461 3.138 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001132659880 1082973426 /nfs/dbraw/zinc/97/34/26/1082973426.db2.gz FMNUTFXIYARFFH-SJKOYZFVSA-N 0 3 322.399 3.260 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001132659877 1082973441 /nfs/dbraw/zinc/97/34/41/1082973441.db2.gz FMNUTFXIYARFFH-SJCJKPOMSA-N 0 3 322.399 3.260 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132667685 1082976345 /nfs/dbraw/zinc/97/63/45/1082976345.db2.gz QIZWLYOSCDGRQZ-MRXNPFEDSA-N 0 3 317.477 3.322 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1csc(Cl)n1)c1ccccc1 ZINC001267524972 1082987020 /nfs/dbraw/zinc/98/70/20/1082987020.db2.gz JENCHQYNBSESNZ-GFCCVEGCSA-N 0 3 321.833 3.043 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccoc1CCC)c1ccccc1 ZINC001267525811 1082988331 /nfs/dbraw/zinc/98/83/31/1082988331.db2.gz PBBGUIZWWSTNQF-GOSISDBHSA-N 0 3 324.424 3.316 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(Cc2cncs2)C1 ZINC001267563659 1083044101 /nfs/dbraw/zinc/04/41/01/1083044101.db2.gz CONJEOVTTOAGOP-GJZGRUSLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCC(=O)NCCNCc1cccc(C(F)(F)F)c1 ZINC001133157065 1083062322 /nfs/dbraw/zinc/06/23/22/1083062322.db2.gz CSAMPVQLCCHNJF-UHFFFAOYSA-N 0 3 314.351 3.268 20 30 DGEDHN CCCCC(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001267578132 1083084950 /nfs/dbraw/zinc/08/49/50/1083084950.db2.gz HWHPYLNXUOSDNX-IBGZPJMESA-N 0 3 312.457 3.009 20 30 DGEDHN C=CCCC1(C(=O)NCCNCc2cc3ccccc3o2)CC1 ZINC001133375665 1083107861 /nfs/dbraw/zinc/10/78/61/1083107861.db2.gz CPWLJNZIZTUOCX-UHFFFAOYSA-N 0 3 312.413 3.385 20 30 DGEDHN C=CCCC1(C(=O)NCCNCc2cccc(Cl)c2)CC1 ZINC001133375723 1083108769 /nfs/dbraw/zinc/10/87/69/1083108769.db2.gz GAKGGRMVWMVXEV-UHFFFAOYSA-N 0 3 306.837 3.292 20 30 DGEDHN Cc1cc(C)c(C#N)c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001170683115 1083115410 /nfs/dbraw/zinc/11/54/10/1083115410.db2.gz VMMQBHOAPHWHRY-AWEZNQCLSA-N 0 3 317.396 3.443 20 30 DGEDHN CC(C)=CC(=O)N1CCC(CN(C)CC#Cc2ccccc2)CC1 ZINC001267596198 1083127977 /nfs/dbraw/zinc/12/79/77/1083127977.db2.gz MIBDRGHWDGUUOY-UHFFFAOYSA-N 0 3 324.468 3.175 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001133569971 1083152973 /nfs/dbraw/zinc/15/29/73/1083152973.db2.gz GYERWYOZKOYQOJ-MRXNPFEDSA-N 0 3 320.383 3.014 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104631643 1083168645 /nfs/dbraw/zinc/16/86/45/1083168645.db2.gz VWWZJKXTOFFNBB-UNEWFSDZSA-N 0 3 312.885 3.415 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC001267611775 1083197454 /nfs/dbraw/zinc/19/74/54/1083197454.db2.gz JHMFMBZFIKVBHY-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)(C)C)Cc1csc(C)c1 ZINC001481135293 1083207431 /nfs/dbraw/zinc/20/74/31/1083207431.db2.gz LXHOESUBLRHNSO-UHFFFAOYSA-N 0 3 320.502 3.434 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(CCC)s1 ZINC001481139400 1083208842 /nfs/dbraw/zinc/20/88/42/1083208842.db2.gz VQSSGRZVQVCWDS-UHFFFAOYSA-N 0 3 306.475 3.166 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CCC)Cc1cccc(F)c1 ZINC001481144262 1083209863 /nfs/dbraw/zinc/20/98/63/1083209863.db2.gz UCIRLEZALKLLDG-UHFFFAOYSA-N 0 3 306.425 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)c(Cl)cc1C ZINC001481144550 1083210821 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C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001267704618 1083273088 /nfs/dbraw/zinc/27/30/88/1083273088.db2.gz CDCGEQGEZPVKHW-KKUMJFAQSA-N 0 3 302.418 3.095 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001134411934 1083285289 /nfs/dbraw/zinc/28/52/89/1083285289.db2.gz MXXTWYVXPYGHCG-INIZCTEOSA-N 0 3 322.399 3.260 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001134469549 1083294405 /nfs/dbraw/zinc/29/44/05/1083294405.db2.gz FBRUKYIPXTXHQK-KBPBESRZSA-N 0 3 323.868 3.464 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1nccs1 ZINC001134454137 1083295346 /nfs/dbraw/zinc/29/53/46/1083295346.db2.gz RCFKQDJCAWJLPO-QWHCGFSZSA-N 0 3 309.479 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134454337 1083295428 /nfs/dbraw/zinc/29/54/28/1083295428.db2.gz VJJFHJGGYYZVNZ-QWHCGFSZSA-N 0 3 323.506 3.427 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134454336 1083295452 /nfs/dbraw/zinc/29/54/52/1083295452.db2.gz VJJFHJGGYYZVNZ-OLZOCXBDSA-N 0 3 323.506 3.427 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2scnc2C)C1 ZINC001267737446 1083296928 /nfs/dbraw/zinc/29/69/28/1083296928.db2.gz MLKGUSVEJXPACL-CQSZACIVSA-N 0 3 307.463 3.002 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001267743545 1083310159 /nfs/dbraw/zinc/31/01/59/1083310159.db2.gz WQIQDZMXLGGOKN-MRXNPFEDSA-N 0 3 318.486 3.250 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCCc2ccccc2)C1 ZINC001267771111 1083334191 /nfs/dbraw/zinc/33/41/91/1083334191.db2.gz ZCLYYPDCIBNWOW-GOSISDBHSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001267792861 1083351071 /nfs/dbraw/zinc/35/10/71/1083351071.db2.gz BQAMFWDYWVLVJB-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccc(C)s2)C1 ZINC001267795100 1083352172 /nfs/dbraw/zinc/35/21/72/1083352172.db2.gz VCBPYSLDGDLVPA-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN CC[C@@H](C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1Cl ZINC001267795636 1083352921 /nfs/dbraw/zinc/35/29/21/1083352921.db2.gz FWAXDJUKIYNYTL-ZBFHGGJFSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001267833342 1083409518 /nfs/dbraw/zinc/40/95/18/1083409518.db2.gz XHEMGIYOYCNWOM-OAHLLOKOSA-N 0 3 316.445 3.379 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC001211653135 1083414855 /nfs/dbraw/zinc/41/48/55/1083414855.db2.gz HSVTYSHNQKVECY-IPMKNSEASA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)Cc1ccco1)C1CC1 ZINC001267862443 1083468322 /nfs/dbraw/zinc/46/83/22/1083468322.db2.gz NCEBUAOANZQVEH-YVEFUNNKSA-N 0 3 324.852 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2c(C)coc2C)C1 ZINC001267883971 1083514671 /nfs/dbraw/zinc/51/46/71/1083514671.db2.gz OHUMBFFAKRMGHV-OAHLLOKOSA-N 0 3 324.852 3.481 20 30 DGEDHN CN(C)/C=N/c1ccc(NC2(C3CCOCC3)CC2)cc1C#N ZINC001167746979 1083561851 /nfs/dbraw/zinc/56/18/51/1083561851.db2.gz KDISJJXXQQJABL-DEDYPNTBSA-N 0 3 312.417 3.151 20 30 DGEDHN CC#CCNCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001481294035 1083707703 /nfs/dbraw/zinc/70/77/03/1083707703.db2.gz XLXTXPMKAFHLGB-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001110289413 1083711252 /nfs/dbraw/zinc/71/12/52/1083711252.db2.gz JBIHNSDFOABRSM-ABFRBSLYSA-N 0 3 314.429 3.082 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001110289413 1083711263 /nfs/dbraw/zinc/71/12/63/1083711263.db2.gz JBIHNSDFOABRSM-ABFRBSLYSA-N 0 3 314.429 3.082 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001110289414 1083712224 /nfs/dbraw/zinc/71/22/24/1083712224.db2.gz JBIHNSDFOABRSM-SRABZTEZSA-N 0 3 314.429 3.082 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001110289414 1083712231 /nfs/dbraw/zinc/71/22/31/1083712231.db2.gz JBIHNSDFOABRSM-SRABZTEZSA-N 0 3 314.429 3.082 20 30 DGEDHN CCC1(C(=O)N(C)CCNCc2ccc(C#N)cc2)CCCC1 ZINC001481298654 1083719623 /nfs/dbraw/zinc/71/96/23/1083719623.db2.gz MVNQRVDSOVBUAM-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1ccncc1Cl ZINC001268002257 1083724268 /nfs/dbraw/zinc/72/42/68/1083724268.db2.gz SPLPUXBGLFBMGA-SUMWQHHRSA-N 0 3 323.868 3.179 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC001182542845 1083751358 /nfs/dbraw/zinc/75/13/58/1083751358.db2.gz HDCPWWQVOIOMKA-CQSZACIVSA-N 0 3 302.418 3.160 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccccc1CC)c1ccccc1 ZINC001481368927 1083829161 /nfs/dbraw/zinc/82/91/61/1083829161.db2.gz KMSHDTBHNVCLLF-LJQANCHMSA-N 0 3 308.425 3.496 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001182918129 1083840657 /nfs/dbraw/zinc/84/06/57/1083840657.db2.gz AZTCUZLPNYYMBU-HUUCEWRRSA-N 0 3 304.409 3.434 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001481410325 1083879006 /nfs/dbraw/zinc/87/90/06/1083879006.db2.gz FHWPTKJMVFCNNX-HKUYNNGSSA-N 0 3 312.457 3.126 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccccc2C(C)(C)CC)C1 ZINC001183508250 1083963601 /nfs/dbraw/zinc/96/36/01/1083963601.db2.gz MXFUUECADTUXSK-MRXNPFEDSA-N 0 3 312.457 3.202 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001087424995 1083973714 /nfs/dbraw/zinc/97/37/14/1083973714.db2.gz AFUHNCZYYOLWBM-GUDVDZBRSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](CCC)C(C)C)CC2 ZINC001268046585 1083997914 /nfs/dbraw/zinc/99/79/14/1083997914.db2.gz GBEHOQOYNGMFGI-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001481524814 1084073308 /nfs/dbraw/zinc/07/33/08/1084073308.db2.gz UPQONQHNBYWKIL-MRXNPFEDSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC001481532374 1084092913 /nfs/dbraw/zinc/09/29/13/1084092913.db2.gz IJOUMBZYEKIAFS-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001481536362 1084104352 /nfs/dbraw/zinc/10/43/52/1084104352.db2.gz LOYTYWIWOGUKDR-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)c1ccc(CN(C)C)cc1 ZINC001184216727 1084127009 /nfs/dbraw/zinc/12/70/09/1084127009.db2.gz GVFJXMKOKHWEOS-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ccncc2F)C1 ZINC001268169923 1084280042 /nfs/dbraw/zinc/28/00/42/1084280042.db2.gz OVHWLRIORFKTNR-HNNXBMFYSA-N 0 3 319.424 3.161 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001268171938 1084282530 /nfs/dbraw/zinc/28/25/30/1084282530.db2.gz CIHKRSYLTMMEBW-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001185006492 1084308838 /nfs/dbraw/zinc/30/88/38/1084308838.db2.gz BKMRMGDRMKZNJK-JKSUJKDBSA-N 0 3 316.420 3.271 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001185048570 1084334704 /nfs/dbraw/zinc/33/47/04/1084334704.db2.gz FRWYMXOHNYZFMH-DZGCQCFKSA-N 0 3 322.399 3.258 20 30 DGEDHN CC(C)[C@@H](C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001268221425 1084350825 /nfs/dbraw/zinc/35/08/25/1084350825.db2.gz CNMFFRZJDDCNBG-MJGOQNOKSA-N 0 3 314.473 3.061 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001268248606 1084403642 /nfs/dbraw/zinc/40/36/42/1084403642.db2.gz DHOOGNMBGLUWOZ-KRWDZBQOSA-N 0 3 302.462 3.455 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2OC)C1 ZINC001185313340 1084412778 /nfs/dbraw/zinc/41/27/78/1084412778.db2.gz KDVKYADTLPRGTL-QGZVFWFLSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001268260408 1084424229 /nfs/dbraw/zinc/42/42/29/1084424229.db2.gz VFZFASFEAMNBBC-MRXNPFEDSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC001268288353 1084456413 /nfs/dbraw/zinc/45/64/13/1084456413.db2.gz RIWNIQPZVZITKH-HOCLYGCPSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccc(C)cc21 ZINC001481683337 1084473416 /nfs/dbraw/zinc/47/34/16/1084473416.db2.gz QUZOHWUHXROQDH-HOTGVXAUSA-N 0 3 323.440 3.341 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001481707456 1084500344 /nfs/dbraw/zinc/50/03/44/1084500344.db2.gz YAVVZXJHKHLXOD-CQSZACIVSA-N 0 3 308.422 3.063 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@]1(C)CCC[C@H]1C ZINC001279317551 1084521410 /nfs/dbraw/zinc/52/14/10/1084521410.db2.gz CZFUQHDBOJSCDE-YLJYHZDGSA-N 0 3 312.457 3.064 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCN[C@@H](C)c1c(F)cccc1F ZINC001268362460 1084526843 /nfs/dbraw/zinc/52/68/43/1084526843.db2.gz FMDOHGSFMFCUDX-KBPBESRZSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2nc(C)c(C)s2)C1 ZINC001268398799 1084561918 /nfs/dbraw/zinc/56/19/18/1084561918.db2.gz PDJLTNBTYNSDQN-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC2(C=C)CCCCC2)C1 ZINC001481745847 1084568171 /nfs/dbraw/zinc/56/81/71/1084568171.db2.gz ZIFGQIATUPNGLE-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2c(F)cccc2F)C1 ZINC001481772333 1084625120 /nfs/dbraw/zinc/62/51/20/1084625120.db2.gz FZXLKSHOKRZIHV-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001481771794 1084626356 /nfs/dbraw/zinc/62/63/56/1084626356.db2.gz QCPCHCHWBBLIGX-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC1CC1)N[C@@H](C)c1ccccc1Cl ZINC001481811215 1084649652 /nfs/dbraw/zinc/64/96/52/1084649652.db2.gz NSOJUTHWOBTJDH-ZFWWWQNUSA-N 0 3 318.848 3.299 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1cccc(Cl)n1 ZINC001481847752 1084665947 /nfs/dbraw/zinc/66/59/47/1084665947.db2.gz HFPSSAGDBPESLZ-CXAGYDPISA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCC1(C(=O)N(CC)CCNCc2cnccc2C)CCC1 ZINC001268475923 1084685990 /nfs/dbraw/zinc/68/59/90/1084685990.db2.gz CPLXDOOSNBTMJI-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C(C)(F)F)CCCC1 ZINC001481903285 1084696045 /nfs/dbraw/zinc/69/60/45/1084696045.db2.gz BXTDPNMMZWLOLF-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C[C@H]1CCCC[C@@]1(CNCC#Cc1ccccc1)NC(=O)C1CC1 ZINC001481952181 1084726103 /nfs/dbraw/zinc/72/61/03/1084726103.db2.gz REXNQZHOFAGEBC-UWJYYQICSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1nc(C)c(C)s1 ZINC001482105817 1084839762 /nfs/dbraw/zinc/83/97/62/1084839762.db2.gz OOVDFARPFUJCLO-LBPRGKRZSA-N 0 3 323.506 3.204 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001482106240 1084840084 /nfs/dbraw/zinc/84/00/84/1084840084.db2.gz YCHWMDWJZOWWNW-HNNXBMFYSA-N 0 3 313.445 3.002 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001268646755 1084913973 /nfs/dbraw/zinc/91/39/73/1084913973.db2.gz LNKOYHNNICOPRY-PXAZEXFGSA-N 0 3 322.399 3.403 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001268661399 1084924948 /nfs/dbraw/zinc/92/49/48/1084924948.db2.gz UHQXEKOQINOIGI-OLZOCXBDSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001268699882 1084955484 /nfs/dbraw/zinc/95/54/84/1084955484.db2.gz KPRJZDDJEKPSDM-AWEZNQCLSA-N 0 3 303.450 3.012 20 30 DGEDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001268730489 1084991790 /nfs/dbraw/zinc/99/17/90/1084991790.db2.gz PIZVAXBDCBFEJD-UONOGXRCSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268741959 1085008677 /nfs/dbraw/zinc/00/86/77/1085008677.db2.gz AAWJGGWNDXFBTR-HZPDHXFCSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001268749358 1085026528 /nfs/dbraw/zinc/02/65/28/1085026528.db2.gz VWBHTFSIQKGVEI-FUHWJXTLSA-N 0 3 302.462 3.186 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001268749827 1085026680 /nfs/dbraw/zinc/02/66/80/1085026680.db2.gz ANVAAHJHZPNCBZ-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cs1 ZINC001268939049 1085083546 /nfs/dbraw/zinc/08/35/46/1085083546.db2.gz ACJMCRJNXHQHDR-ILXRZTDVSA-N 0 3 304.459 3.310 20 30 DGEDHN Cc1ccc(C)c([C@H](C)N2CC[C@@H](NC(=O)C#CC(C)C)C2)c1 ZINC001269126628 1085141981 /nfs/dbraw/zinc/14/19/81/1085141981.db2.gz VCYOIFMDAFDHQY-ZWKOTPCHSA-N 0 3 312.457 3.214 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC[C@H](N(C)C(=O)C#CC3CC3)C2)c1 ZINC001269240388 1085230800 /nfs/dbraw/zinc/23/08/00/1085230800.db2.gz KSGGWBVCGKCJOB-APWZRJJASA-N 0 3 310.441 3.002 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001269247910 1085233407 /nfs/dbraw/zinc/23/34/07/1085233407.db2.gz KZVUNIMYHOEWRS-ZBFHGGJFSA-N 0 3 316.445 3.317 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001269255135 1085238840 /nfs/dbraw/zinc/23/88/40/1085238840.db2.gz MIIHHYDKXFBJQP-KRWDZBQOSA-N 0 3 315.461 3.249 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC001269255673 1085241878 /nfs/dbraw/zinc/24/18/78/1085241878.db2.gz SECHTBGNOGPLCU-QWNKOJSDSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001269269216 1085252123 /nfs/dbraw/zinc/25/21/23/1085252123.db2.gz WCNNTVDJZUSQAG-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001269291761 1085274042 /nfs/dbraw/zinc/27/40/42/1085274042.db2.gz LZKBUQZAUBKVPJ-RBUKOAKNSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001269321463 1085300690 /nfs/dbraw/zinc/30/06/90/1085300690.db2.gz WQTZOUUAQZMWAY-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001269327109 1085302201 /nfs/dbraw/zinc/30/22/01/1085302201.db2.gz SKFIZWSZUMRGAC-HNNXBMFYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001269345799 1085319241 /nfs/dbraw/zinc/31/92/41/1085319241.db2.gz VBASEVYQSJXNNL-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001269355871 1085332231 /nfs/dbraw/zinc/33/22/31/1085332231.db2.gz KCLVSPRSVJVTSO-QGZVFWFLSA-N 0 3 314.473 3.429 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001269356165 1085332723 /nfs/dbraw/zinc/33/27/23/1085332723.db2.gz NPIDQXGBUWOFQT-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001269449030 1085390770 /nfs/dbraw/zinc/39/07/70/1085390770.db2.gz RYJBWRFKQHDDTO-CYBMUJFWSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1sc(C)nc1C)C(C)C ZINC001284544413 1085463881 /nfs/dbraw/zinc/46/38/81/1085463881.db2.gz QITMGCQFHRLTQM-UHFFFAOYSA-N 0 3 323.506 3.047 20 30 DGEDHN C=CC1(CC(=O)N(CCN(C)C[C@@H](C)O)C(C)C)CCCCC1 ZINC001284552946 1085473405 /nfs/dbraw/zinc/47/34/05/1085473405.db2.gz BACTZUUFYUSTRZ-QGZVFWFLSA-N 0 3 324.509 3.063 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cnc(C2CC2)s1)C(C)C ZINC001284558581 1085480432 /nfs/dbraw/zinc/48/04/32/1085480432.db2.gz OKJAZPTZNANPSP-UHFFFAOYSA-N 0 3 321.490 3.379 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2ccco2)CCCC[C@@H]1C ZINC001269675442 1085523053 /nfs/dbraw/zinc/52/30/53/1085523053.db2.gz AQYJFKFBHAXYET-GUYCJALGSA-N 0 3 324.852 3.229 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001269692464 1085530364 /nfs/dbraw/zinc/53/03/64/1085530364.db2.gz LLFIWFVCBFLYEG-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](CC)CCCC)C2)CC1 ZINC001269700011 1085534471 /nfs/dbraw/zinc/53/44/71/1085534471.db2.gz MJYWCJIIIAKFLM-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001269761379 1085556885 /nfs/dbraw/zinc/55/68/85/1085556885.db2.gz ZYSYHHOGDXVWJM-CQSZACIVSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001269765963 1085559285 /nfs/dbraw/zinc/55/92/85/1085559285.db2.gz OJJLQPOUKOPCLZ-ARFHVFGLSA-N 0 3 312.885 3.393 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](CC)CCCC)CC2 ZINC001482240769 1085562093 /nfs/dbraw/zinc/56/20/93/1085562093.db2.gz WMWGWIFFEFUHEC-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)CC2 ZINC001482244731 1085575160 /nfs/dbraw/zinc/57/51/60/1085575160.db2.gz FOIMSBUUACSGOM-SJORKVTESA-N 0 3 318.505 3.252 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ocnc2C)C[C@H]1C ZINC001269938594 1085621988 /nfs/dbraw/zinc/62/19/88/1085621988.db2.gz VAQUCWZUEWXFQD-HIFRSBDPSA-N 0 3 319.449 3.054 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](NCc2nc(C)cs2)CC1 ZINC001270017778 1085654038 /nfs/dbraw/zinc/65/40/38/1085654038.db2.gz KZRTVRIZKLGKBR-SHTZXODSSA-N 0 3 321.490 3.325 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001270648578 1085917824 /nfs/dbraw/zinc/91/78/24/1085917824.db2.gz ITBKBZODUSCPRU-VQIMIIECSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112148178 1085922609 /nfs/dbraw/zinc/92/26/09/1085922609.db2.gz FIWOQPQFQAGBEH-NGPFNDBQSA-N 0 3 316.367 3.064 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2cc(F)ccc2o1 ZINC001626751256 1085981292 /nfs/dbraw/zinc/98/12/92/1085981292.db2.gz ZYXMSIKLZGSQJC-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccccc2CCC)CC1 ZINC001270892723 1086155010 /nfs/dbraw/zinc/15/50/10/1086155010.db2.gz RDZPBJFGFWMKPK-UHFFFAOYSA-N 0 3 312.457 3.104 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)cc2C)C1 ZINC001271008484 1086247128 /nfs/dbraw/zinc/24/71/28/1086247128.db2.gz YGHAGTDDOOLZGE-FQEVSTJZSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc3ccccc3n2)C1 ZINC001271008332 1086247965 /nfs/dbraw/zinc/24/79/65/1086247965.db2.gz VQVGWCUMHGOVJK-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001482453620 1086276750 /nfs/dbraw/zinc/27/67/50/1086276750.db2.gz CAFDDLZHBJYCGD-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@H]1CC ZINC001087623837 1086330814 /nfs/dbraw/zinc/33/08/14/1086330814.db2.gz YOEBQLYGYBPLHH-CEXWTWQISA-N 0 3 312.457 3.262 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2coc3cc(F)ccc23)[C@H]1CC ZINC001087633734 1086334922 /nfs/dbraw/zinc/33/49/22/1086334922.db2.gz SCURPKUVAZRSPL-JKSUJKDBSA-N 0 3 316.376 3.341 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1CC ZINC001087643534 1086338076 /nfs/dbraw/zinc/33/80/76/1086338076.db2.gz YWALONABNNMKNV-FUHWJXTLSA-N 0 3 313.445 3.118 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)[C@H]1CC ZINC001087657950 1086344462 /nfs/dbraw/zinc/34/44/62/1086344462.db2.gz FCVXKWKHGULDLG-XUVXKRRUSA-N 0 3 324.468 3.173 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H]1CC ZINC001087685600 1086358408 /nfs/dbraw/zinc/35/84/08/1086358408.db2.gz UEEIGGXBCKFSKJ-UONOGXRCSA-N 0 3 306.475 3.181 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)[C@H]1CC ZINC001087755226 1086398629 /nfs/dbraw/zinc/39/86/29/1086398629.db2.gz BAIYVAOIYFDMDU-CIRFHOKZSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)[C@H]1CC ZINC001087771153 1086404448 /nfs/dbraw/zinc/40/44/48/1086404448.db2.gz PRVQNDBCSRACSQ-JKSUJKDBSA-N 0 3 322.836 3.117 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)c3occc32)[C@H]1CC ZINC001087835333 1086435268 /nfs/dbraw/zinc/43/52/68/1086435268.db2.gz VPBTZXBHQGXDAG-JKSUJKDBSA-N 0 3 316.376 3.341 20 30 DGEDHN C=C(Cl)CNC[C@@]1(c2ccccc2)C[C@H](NC(=O)CCC)C1 ZINC001105402237 1086492285 /nfs/dbraw/zinc/49/22/85/1086492285.db2.gz RTZXXTRVHGTVQS-MAEOIBBWSA-N 0 3 320.864 3.345 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CCC=C(C)C)C[C@]2(C)C1 ZINC001101370782 1086504865 /nfs/dbraw/zinc/50/48/65/1086504865.db2.gz SIJNUVZFPBFSBS-NSHGMRRFSA-N 0 3 316.489 3.173 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2csc(C)n2)[C@H](C)C1 ZINC001271393289 1086594312 /nfs/dbraw/zinc/59/43/12/1086594312.db2.gz GAHRRXSQVZHIAQ-CJNGLKHVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C=C\c2ccco2)C1 ZINC001088254755 1086725388 /nfs/dbraw/zinc/72/53/88/1086725388.db2.gz WUUCDVKBRZZZMU-WHLNPGIBSA-N 0 3 322.836 3.406 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001088260700 1086735565 /nfs/dbraw/zinc/73/55/65/1086735565.db2.gz LWPBQTGGYSWOIU-HOTGVXAUSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](CC)SC)C1 ZINC001088297114 1086773889 /nfs/dbraw/zinc/77/38/89/1086773889.db2.gz HTHYBAPJKJKBLL-ZIAGYGMSSA-N 0 3 318.914 3.241 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C1(CC)CCC1 ZINC001271812059 1086778647 /nfs/dbraw/zinc/77/86/47/1086778647.db2.gz FALJRJZNBVAWAP-UHFFFAOYSA-N 0 3 312.457 3.208 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2[nH]ccc2C)C1 ZINC001088306478 1086781068 /nfs/dbraw/zinc/78/10/68/1086781068.db2.gz XUVJJPUAUCMASC-CQSZACIVSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc[nH]c2CC)C1 ZINC001088307909 1086784017 /nfs/dbraw/zinc/78/40/17/1086784017.db2.gz IFAKGRFYPBDONW-AWEZNQCLSA-N 0 3 323.868 3.304 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001271830506 1086785901 /nfs/dbraw/zinc/78/59/01/1086785901.db2.gz SHNILXUOEBXKQI-MJGOQNOKSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C)c(OC)c1)C(C)C ZINC001271869527 1086799156 /nfs/dbraw/zinc/79/91/56/1086799156.db2.gz PLSDTUBPKJVXHO-OAHLLOKOSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCCC1(F)F)C(C)C ZINC001271877669 1086802355 /nfs/dbraw/zinc/80/23/55/1086802355.db2.gz KSNVMCYRQIPHKY-CHWSQXEVSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccc(C)cc1)C(C)C ZINC001482541333 1086831465 /nfs/dbraw/zinc/83/14/65/1086831465.db2.gz OAHJKWZHJJDYRG-INIZCTEOSA-N 0 3 308.853 3.020 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)C=CCC2 ZINC001168190427 1087036967 /nfs/dbraw/zinc/03/69/67/1087036967.db2.gz RDFFLWBTNBPJOQ-UHFFFAOYSA-N 0 3 304.821 3.108 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)[C@H]1C ZINC001088575469 1087084007 /nfs/dbraw/zinc/08/40/07/1087084007.db2.gz SHSGPERXAAPXHE-ZBFHGGJFSA-N 0 3 315.461 3.148 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001482641700 1087098878 /nfs/dbraw/zinc/09/88/78/1087098878.db2.gz WKSVDVCXXSMJGU-OAHLLOKOSA-N 0 3 304.434 3.054 20 30 DGEDHN C=CCCN1CC[C@H](NC(=O)c2scc(C)c2Cl)[C@H]1C ZINC001088588054 1087111783 /nfs/dbraw/zinc/11/17/83/1087111783.db2.gz MWXJGYQOEXVWND-NEPJUHHUSA-N 0 3 312.866 3.479 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1c(F)cccc1F ZINC001482673130 1087122472 /nfs/dbraw/zinc/12/24/72/1087122472.db2.gz UQLLMJQJEIPOFI-DYVFJYSZSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1c(F)cccc1F ZINC001482673129 1087122582 /nfs/dbraw/zinc/12/25/82/1087122582.db2.gz UQLLMJQJEIPOFI-CXAGYDPISA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC001482677607 1087132943 /nfs/dbraw/zinc/13/29/43/1087132943.db2.gz IMYINEOPHOPVRI-GOEBONIOSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001482856244 1087173366 /nfs/dbraw/zinc/17/33/66/1087173366.db2.gz NTFPWJBZUPRVKG-UWWQBHOKSA-N 0 3 320.864 3.201 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001482902090 1087184483 /nfs/dbraw/zinc/18/44/83/1087184483.db2.gz BSNSYUINYPUYAP-IGEOTXOUSA-N 0 3 312.885 3.440 20 30 DGEDHN C[C@H](NC/C=C/CNC(=O)C#CC1CC1)c1cccc(Cl)c1 ZINC001483007338 1087233038 /nfs/dbraw/zinc/23/30/38/1087233038.db2.gz JPIBTSZKDWWRRP-HSWBROFVSA-N 0 3 316.832 3.076 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[C@H]1C ZINC001088658181 1087246918 /nfs/dbraw/zinc/24/69/18/1087246918.db2.gz MJOSQJQSUGKWEY-OWYHZJEWSA-N 0 3 312.457 3.335 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001483063367 1087320904 /nfs/dbraw/zinc/32/09/04/1087320904.db2.gz CIJNTVJPNZSWRF-AATRIKPKSA-N 0 3 304.409 3.190 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2occc2-c2ccccc2)[C@H]1C ZINC001088724356 1087324954 /nfs/dbraw/zinc/32/49/54/1087324954.db2.gz AJGBAMZXIWMQAM-QAPCUYQASA-N 0 3 322.408 3.163 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3ccccc3c2C)[C@H]1C ZINC001088754168 1087336266 /nfs/dbraw/zinc/33/62/66/1087336266.db2.gz KOALVYPPYPPHPI-QAPCUYQASA-N 0 3 323.440 3.312 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001483144854 1087403580 /nfs/dbraw/zinc/40/35/80/1087403580.db2.gz RIMYRCIUETYUPB-SJORKVTESA-N 0 3 314.473 3.205 20 30 DGEDHN C=CC1(CC(=O)N[C@H](C)CNCc2cncs2)CCCCC1 ZINC001483174453 1087411104 /nfs/dbraw/zinc/41/11/04/1087411104.db2.gz CUOWYLVNNRRSAB-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(F)cc2Cl)[C@H]1C ZINC001088836164 1087419047 /nfs/dbraw/zinc/41/90/47/1087419047.db2.gz HXWFBLKQTOOKOA-WBMJQRKESA-N 0 3 324.827 3.177 20 30 DGEDHN C[C@H](c1cccc(F)c1)N(C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001483336870 1087474677 /nfs/dbraw/zinc/47/46/77/1087474677.db2.gz XFOHLBHVBHGCLG-LSDHHAIUSA-N 0 3 318.436 3.373 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483342050 1087476488 /nfs/dbraw/zinc/47/64/88/1087476488.db2.gz IQGCRYAUIALYKL-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc2c1CCCCC2 ZINC001483353925 1087479022 /nfs/dbraw/zinc/47/90/22/1087479022.db2.gz ZYWQYMOQOFOCIH-OAHLLOKOSA-N 0 3 300.446 3.192 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc2c1CCCCC2 ZINC001483353922 1087479034 /nfs/dbraw/zinc/47/90/34/1087479034.db2.gz ZYWQYMOQOFOCIH-HNNXBMFYSA-N 0 3 300.446 3.192 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001483405025 1087493378 /nfs/dbraw/zinc/49/33/78/1087493378.db2.gz GDPXXXKWMKLIJT-KBPBESRZSA-N 0 3 300.402 3.159 20 30 DGEDHN C=C[C@H](C(=O)N(C)CCCNCC(=C)Cl)c1ccccc1 ZINC001483512415 1087518911 /nfs/dbraw/zinc/51/89/11/1087518911.db2.gz YTFAHTNGXKBSTP-INIZCTEOSA-N 0 3 306.837 3.147 20 30 DGEDHN C=CCCOCCCCC(=O)NCCNCc1csc(C)c1 ZINC001127128814 1087553572 /nfs/dbraw/zinc/55/35/72/1087553572.db2.gz GBAVIRKPWFITSQ-UHFFFAOYSA-N 0 3 324.490 3.025 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1 ZINC001105927045 1087566422 /nfs/dbraw/zinc/56/64/22/1087566422.db2.gz URSGNZNDZLOBII-ZIAGYGMSSA-N 0 3 322.399 3.115 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001483649162 1087603307 /nfs/dbraw/zinc/60/33/07/1087603307.db2.gz JMSBFNJVZXTNQV-IEBWSBKVSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)[C@H]1C ZINC001088935091 1087606454 /nfs/dbraw/zinc/60/64/54/1087606454.db2.gz ODRKAFXULPFTEB-WBMJQRKESA-N 0 3 322.836 3.117 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]1C ZINC001088953766 1087609241 /nfs/dbraw/zinc/60/92/41/1087609241.db2.gz LQORJYLUBRCFRJ-PBHICJAKSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ccsc32)[C@H]1C ZINC001088959109 1087609689 /nfs/dbraw/zinc/60/96/89/1087609689.db2.gz MCWIZKAUUKSBLN-DOMZBBRYSA-N 0 3 300.427 3.280 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)[C@H]1C ZINC001088975802 1087613366 /nfs/dbraw/zinc/61/33/66/1087613366.db2.gz PVFFAOMFHSQVNB-PBHICJAKSA-N 0 3 309.413 3.060 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)ccc2OC)[C@H]1C ZINC001089021787 1087622761 /nfs/dbraw/zinc/62/27/61/1087622761.db2.gz JOLKHDAKJJNXKS-DOMZBBRYSA-N 0 3 322.836 3.117 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001483674524 1087626631 /nfs/dbraw/zinc/62/66/31/1087626631.db2.gz ZVMFFBPABOGRBB-QZTJIDSGSA-N 0 3 312.457 3.440 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@H]1C ZINC001089047748 1087627153 /nfs/dbraw/zinc/62/71/53/1087627153.db2.gz ZJAFCPABZOFLHP-ZBFHGGJFSA-N 0 3 304.409 3.211 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H]1C ZINC001089068978 1087630278 /nfs/dbraw/zinc/63/02/78/1087630278.db2.gz GHWFXBBHLZVTTR-OMGLFLRBSA-N 0 3 304.478 3.358 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001483678419 1087635902 /nfs/dbraw/zinc/63/59/02/1087635902.db2.gz XXHCOEJQJQEPBY-YJBOKZPZSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)CCC1 ZINC001483679357 1087638389 /nfs/dbraw/zinc/63/83/89/1087638389.db2.gz ZXJHWTFWOVFGHL-MRXNPFEDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](CC)CC(F)(F)F ZINC001483693574 1087672228 /nfs/dbraw/zinc/67/22/28/1087672228.db2.gz FEONRUZVRMAGIY-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001483707944 1087683078 /nfs/dbraw/zinc/68/30/78/1087683078.db2.gz GCSLNZMCQKAOGK-IAGOWNOFSA-N 0 3 300.446 3.255 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CO[C@H](C)CC ZINC001233706293 1087689386 /nfs/dbraw/zinc/68/93/86/1087689386.db2.gz KKPUKGLBAOSTLC-SJORKVTESA-N 0 3 312.498 3.305 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001279163883 1087726924 /nfs/dbraw/zinc/72/69/24/1087726924.db2.gz HBLPLFHEOIJJJA-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN CCC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)CC(C)(C)C1 ZINC001089283465 1087730462 /nfs/dbraw/zinc/73/04/62/1087730462.db2.gz NKOPWPINJDGVCH-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN CC1(C)C[C@@H](NC(=O)C2CC2)CCN(CC#Cc2ccccc2)C1 ZINC001089293234 1087744013 /nfs/dbraw/zinc/74/40/13/1087744013.db2.gz OCTLXROMOFRCLR-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)c1ccccc1 ZINC001151654160 1087750549 /nfs/dbraw/zinc/75/05/49/1087750549.db2.gz HEQUNCYUGYFTNV-MRXNPFEDSA-N 0 3 321.424 3.199 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](OCC)C1CCCC1 ZINC001158283250 1087757433 /nfs/dbraw/zinc/75/74/33/1087757433.db2.gz HFFGXVUNHUCZFS-MSOLQXFVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CCC)OCC ZINC001099181670 1087786727 /nfs/dbraw/zinc/78/67/27/1087786727.db2.gz BMNRYBAGMQPTQI-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN CC#CCCCC(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001158357467 1087792061 /nfs/dbraw/zinc/79/20/61/1087792061.db2.gz IWANKCSIYCEKHX-GOSISDBHSA-N 0 3 304.478 3.459 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1cc(F)ccc1C ZINC001152353174 1087957168 /nfs/dbraw/zinc/95/71/68/1087957168.db2.gz UTCRDGMTDYMCBV-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2[nH]ccc2s1 ZINC001158794300 1088031548 /nfs/dbraw/zinc/03/15/48/1088031548.db2.gz NJTKVYVKQPPCEO-CYBMUJFWSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)COCCCCCC ZINC001158795171 1088033411 /nfs/dbraw/zinc/03/34/11/1088033411.db2.gz ZFIQIWQVJLPHNZ-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN CCCC[C@H](C(=O)NCCNCc1cccc(C#N)c1)C(C)C ZINC001152653221 1088033917 /nfs/dbraw/zinc/03/39/17/1088033917.db2.gz TXWALJMXOHAPPP-SFHVURJKSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1sc(C)cc1C ZINC001158807177 1088038572 /nfs/dbraw/zinc/03/85/72/1088038572.db2.gz XBAAAWYGFDPPDH-MRXNPFEDSA-N 0 3 320.502 3.406 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCC=C(Cl)Cl ZINC001158845840 1088067198 /nfs/dbraw/zinc/06/71/98/1088067198.db2.gz YVJFBRDJIYOXIK-UHFFFAOYSA-N 0 3 313.656 3.180 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(C)s1 ZINC001158909053 1088093772 /nfs/dbraw/zinc/09/37/72/1088093772.db2.gz GFPLFKKSCKQXMT-OAHLLOKOSA-N 0 3 306.475 3.098 20 30 DGEDHN CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153260080 1088206876 /nfs/dbraw/zinc/20/68/76/1088206876.db2.gz OBHIKZYSADELPY-OAHLLOKOSA-N 0 3 318.436 3.202 20 30 DGEDHN CCN(Cc1ccsc1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266517 1088209020 /nfs/dbraw/zinc/20/90/20/1088209020.db2.gz UGXPFGNVYQKALU-CQSZACIVSA-N 0 3 306.475 3.124 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106609905 1088246953 /nfs/dbraw/zinc/24/69/53/1088246953.db2.gz UJQOXZYVFTYLKA-HBMOZRESSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001153641926 1088318314 /nfs/dbraw/zinc/31/83/14/1088318314.db2.gz LYFFTAZEXMLKFZ-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C\c1ccccc1F ZINC001153994872 1088430864 /nfs/dbraw/zinc/43/08/64/1088430864.db2.gz RDKNZRCZBPUQDF-HGPCXVNDSA-N 0 3 316.420 3.079 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(C)CCC(F)(F)CC1 ZINC001154066291 1088458922 /nfs/dbraw/zinc/45/89/22/1088458922.db2.gz OICYWTVQLLJILF-CQSZACIVSA-N 0 3 314.420 3.052 20 30 DGEDHN C#Cc1ccc(C(=O)NCC2(NCc3cccc(C)c3)CC2)cc1 ZINC001483757030 1088523732 /nfs/dbraw/zinc/52/37/32/1088523732.db2.gz OXXFJNXJZFXMRD-UHFFFAOYSA-N 0 3 318.420 3.029 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccsc1 ZINC001272663798 1088532837 /nfs/dbraw/zinc/53/28/37/1088532837.db2.gz SOYGDMBBWAJCQU-UHFFFAOYSA-N 0 3 300.427 3.296 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccoc2Cl)CC(C)(C)C1 ZINC001089372838 1088547437 /nfs/dbraw/zinc/54/74/37/1088547437.db2.gz RGFFCYZTMVMVLX-ZDUSSCGKSA-N 0 3 322.836 3.177 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001154339953 1088574789 /nfs/dbraw/zinc/57/47/89/1088574789.db2.gz AQGHGESFAFPLBN-MRXNPFEDSA-N 0 3 312.457 3.418 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)CC(C)(C)C1 ZINC001089436451 1088600648 /nfs/dbraw/zinc/60/06/48/1088600648.db2.gz XAYYHAIQMLNHOM-MRXNPFEDSA-N 0 3 316.445 3.058 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001154588580 1088663075 /nfs/dbraw/zinc/66/30/75/1088663075.db2.gz LUVSSNVRZSLNOA-CQSZACIVSA-N 0 3 323.506 3.115 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001154605303 1088673349 /nfs/dbraw/zinc/67/33/49/1088673349.db2.gz CXYVYMXYQKRQRZ-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)CC(C)(C)C1 ZINC001089536441 1088718470 /nfs/dbraw/zinc/71/84/70/1088718470.db2.gz CHIVGVIOYNGIBP-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC(C)(C)C1 ZINC001089544374 1088727368 /nfs/dbraw/zinc/72/73/68/1088727368.db2.gz QZPNTAOTWXHNSZ-BRWVUGGUSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)CC(C)(C)C1 ZINC001089544720 1088728778 /nfs/dbraw/zinc/72/87/78/1088728778.db2.gz XQMIRMAUJFQSGI-INIZCTEOSA-N 0 3 318.848 3.194 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001154742612 1088736356 /nfs/dbraw/zinc/73/63/56/1088736356.db2.gz JMGCQOHMARWBOG-LSDHHAIUSA-N 0 3 323.506 3.115 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)CC(C)(C)C1 ZINC001089566018 1088752214 /nfs/dbraw/zinc/75/22/14/1088752214.db2.gz GEOASQPODHAIKK-LJQANCHMSA-N 0 3 324.468 3.418 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001089600786 1088799408 /nfs/dbraw/zinc/79/94/08/1088799408.db2.gz HHMHAERIJIOTNJ-QGZVFWFLSA-N 0 3 300.446 3.401 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001089608470 1088814743 /nfs/dbraw/zinc/81/47/43/1088814743.db2.gz AWRJAWCFQJCVBK-CYBMUJFWSA-N 0 3 309.841 3.075 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001089608474 1088814833 /nfs/dbraw/zinc/81/48/33/1088814833.db2.gz AWRJAWCFQJCVBK-ZDUSSCGKSA-N 0 3 309.841 3.075 20 30 DGEDHN C=CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1scnc1C ZINC001089612675 1088816324 /nfs/dbraw/zinc/81/63/24/1088816324.db2.gz HUNWWGNPQZFVQG-CQSZACIVSA-N 0 3 321.490 3.248 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001160486818 1088832400 /nfs/dbraw/zinc/83/24/00/1088832400.db2.gz YESUSPYXABFFAV-DLBZAZTESA-N 0 3 316.470 3.176 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001154957972 1088851570 /nfs/dbraw/zinc/85/15/70/1088851570.db2.gz SZKPTDDFFLPIJC-MRXNPFEDSA-N 0 3 313.445 3.241 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001160551117 1088868642 /nfs/dbraw/zinc/86/86/42/1088868642.db2.gz HKGPCPCXLIXKHS-INIZCTEOSA-N 0 3 304.478 3.220 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1c(C)coc1C ZINC001089638484 1088868991 /nfs/dbraw/zinc/86/89/91/1088868991.db2.gz XVGWVYFQWFQSFY-INIZCTEOSA-N 0 3 316.445 3.140 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001089644011 1088878766 /nfs/dbraw/zinc/87/87/66/1088878766.db2.gz DDRJEFLJRVJHOH-VSZNYVQBSA-N 0 3 316.489 3.382 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001089648336 1088888641 /nfs/dbraw/zinc/88/86/41/1088888641.db2.gz JKMCCHSOFYMOGY-KRWDZBQOSA-N 0 3 300.446 3.078 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(c3ccccc3)CCC2)CC1 ZINC001160628660 1088897847 /nfs/dbraw/zinc/89/78/47/1088897847.db2.gz SMBODXSCAFBYOA-UHFFFAOYSA-N 0 3 324.468 3.433 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC001160636820 1088901852 /nfs/dbraw/zinc/90/18/52/1088901852.db2.gz VOYKIKDDPCMPMC-UHFFFAOYSA-N 0 3 323.440 3.414 20 30 DGEDHN CC(=O)NCCN(CC#Cc1ccccc1)C1CCCCCC1 ZINC001483812805 1088917538 /nfs/dbraw/zinc/91/75/38/1088917538.db2.gz RGTDCESHVCPAQI-UHFFFAOYSA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001160688471 1088922474 /nfs/dbraw/zinc/92/24/74/1088922474.db2.gz CMJCLUCGBZZMPS-KRWDZBQOSA-N 0 3 318.461 3.158 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001155072809 1088929456 /nfs/dbraw/zinc/92/94/56/1088929456.db2.gz LMUJCHHMUDTVSW-PBHICJAKSA-N 0 3 323.506 3.115 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCNCc1cc(F)ccc1Cl ZINC001272678848 1088977348 /nfs/dbraw/zinc/97/73/48/1088977348.db2.gz AKIKMZOPBUFJCX-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(SC)nc2c1CCCC2 ZINC001160952772 1089039720 /nfs/dbraw/zinc/03/97/20/1089039720.db2.gz ABNSKRWZEQHHEO-ZDUSSCGKSA-N 0 3 318.490 3.140 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cc2nc(Cl)cnc2cc1F ZINC001160957252 1089041242 /nfs/dbraw/zinc/04/12/42/1089041242.db2.gz IXUPDHSDBNSIPL-NSHDSACASA-N 0 3 320.799 3.485 20 30 DGEDHN C#CCCCCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001483964836 1089058225 /nfs/dbraw/zinc/05/82/25/1089058225.db2.gz ODLRMLYAEGESDD-UHFFFAOYSA-N 0 3 318.486 3.412 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC001483975199 1089062102 /nfs/dbraw/zinc/06/21/02/1089062102.db2.gz HPNALUHKAIQJTG-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN(C(=O)CC(C)(C)C)C1CCN(CC=C(C)C)CC1 ZINC001483979777 1089063684 /nfs/dbraw/zinc/06/36/84/1089063684.db2.gz BXMBOZDBKNDOOP-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC[C@@H]1CCC)C1CCN(CC=C)CC1 ZINC001483984098 1089068461 /nfs/dbraw/zinc/06/84/61/1089068461.db2.gz SGIOORXTASCPAE-HKUYNNGSSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC001161070195 1089103623 /nfs/dbraw/zinc/10/36/23/1089103623.db2.gz IETZKSKTJKLVHQ-UHFFFAOYSA-N 0 3 324.346 3.042 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001484019651 1089105059 /nfs/dbraw/zinc/10/50/59/1089105059.db2.gz HNHKJCHJKMTDGE-LJQANCHMSA-N 0 3 302.462 3.071 20 30 DGEDHN Cc1cnc(NC2CCN(Cc3ccc(O)cc3)CC2)c(C#N)c1 ZINC001161129985 1089129326 /nfs/dbraw/zinc/12/93/26/1089129326.db2.gz JKLVPYKOEHDBCK-UHFFFAOYSA-N 0 3 322.412 3.044 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001484056434 1089146484 /nfs/dbraw/zinc/14/64/84/1089146484.db2.gz BMUIWEZRGOMLDR-LJQANCHMSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1csc(C)n1 ZINC001089685320 1089158667 /nfs/dbraw/zinc/15/86/67/1089158667.db2.gz BGDOISOKXFIHCH-AWEZNQCLSA-N 0 3 321.490 3.248 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001089686313 1089162684 /nfs/dbraw/zinc/16/26/84/1089162684.db2.gz PNWNFZLCAXJCHS-MRXNPFEDSA-N 0 3 317.477 3.223 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc3[nH]ccc32)CC1 ZINC001161297778 1089180647 /nfs/dbraw/zinc/18/06/47/1089180647.db2.gz URGJTNALSQTZEQ-UHFFFAOYSA-N 0 3 309.413 3.106 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CCc2ccccc2C)CC1 ZINC001161321413 1089191135 /nfs/dbraw/zinc/19/11/35/1089191135.db2.gz ZOFSRJFBEBFBIM-UHFFFAOYSA-N 0 3 324.468 3.089 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](CCC)C(C)C)CC1 ZINC001161363434 1089211125 /nfs/dbraw/zinc/21/11/25/1089211125.db2.gz BCABCLMGONYXEZ-GOSISDBHSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)Cc2cccs2)CC1 ZINC001161383368 1089219655 /nfs/dbraw/zinc/21/96/55/1089219655.db2.gz USXZYHLJFFKKDI-OAHLLOKOSA-N 0 3 318.486 3.251 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H](C)N(CC)CC#CC)CCCCC1 ZINC001155776822 1089242650 /nfs/dbraw/zinc/24/26/50/1089242650.db2.gz XMTZHNQOKDYWBO-QGZVFWFLSA-N 0 3 304.478 3.363 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001155856443 1089273603 /nfs/dbraw/zinc/27/36/03/1089273603.db2.gz ICEBMHIFSKFTRE-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001484198077 1089285798 /nfs/dbraw/zinc/28/57/98/1089285798.db2.gz FVMLUCOKOHGZKL-DZGCQCFKSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001089726782 1089305429 /nfs/dbraw/zinc/30/54/29/1089305429.db2.gz QXZXSPMAVVISLQ-INIZCTEOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(C)CCC1)c1ccccc1CC ZINC001484324415 1089336704 /nfs/dbraw/zinc/33/67/04/1089336704.db2.gz UPMNKWIFPILLEO-KRWDZBQOSA-N 0 3 300.446 3.372 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccccc2Cl)CC1 ZINC001161762981 1089390188 /nfs/dbraw/zinc/39/01/88/1089390188.db2.gz HZHKOHBFCVCPCH-UHFFFAOYSA-N 0 3 316.832 3.115 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001272683324 1089423108 /nfs/dbraw/zinc/42/31/08/1089423108.db2.gz PRZITEMSKIRGSL-AWEZNQCLSA-N 0 3 312.438 3.352 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001484512840 1089452815 /nfs/dbraw/zinc/45/28/15/1089452815.db2.gz JLLVYXZOCLGVLE-MRXNPFEDSA-N 0 3 310.869 3.458 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001484525023 1089464405 /nfs/dbraw/zinc/46/44/05/1089464405.db2.gz CKQKRFZWIFSQNH-CABCVRRESA-N 0 3 310.869 3.147 20 30 DGEDHN C=C[C@@H](C(=O)NCCC1=CCN(CC#CC)CC1)c1ccccc1 ZINC001161924479 1089475010 /nfs/dbraw/zinc/47/50/10/1089475010.db2.gz DTSYYJDEUJOILT-HXUWFJFHSA-N 0 3 322.452 3.118 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1 ZINC001484559830 1089495032 /nfs/dbraw/zinc/49/50/32/1089495032.db2.gz LMQYRNIOTVQUCJ-LBPRGKRZSA-N 0 3 316.788 3.147 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H](C)SC ZINC001484555778 1089497065 /nfs/dbraw/zinc/49/70/65/1089497065.db2.gz XQFHAGLAPVNHLR-CQSZACIVSA-N 0 3 306.475 3.062 20 30 DGEDHN Cc1cc(C#N)c(-n2cncc2CNCc2ccccc2)nc1C ZINC001156482211 1089541622 /nfs/dbraw/zinc/54/16/22/1089541622.db2.gz KBWHXTXBSMSJIC-UHFFFAOYSA-N 0 3 317.396 3.046 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)c(C)c1 ZINC001272686837 1089550839 /nfs/dbraw/zinc/55/08/39/1089550839.db2.gz QNWCVHGQCUBAOW-QZTJIDSGSA-N 0 3 316.420 3.276 20 30 DGEDHN CN1CC[C@H](Nc2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001156581731 1089594607 /nfs/dbraw/zinc/59/46/07/1089594607.db2.gz YJBFXZUSYPBKHX-QMMMGPOBSA-N 0 3 322.746 3.154 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001156594712 1089603039 /nfs/dbraw/zinc/60/30/39/1089603039.db2.gz HCKXMGYOJYPQQU-HWWITLHISA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC(C)C)cc1 ZINC001156668424 1089633223 /nfs/dbraw/zinc/63/32/23/1089633223.db2.gz QCRXELQJIIJYAZ-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001156682984 1089643749 /nfs/dbraw/zinc/64/37/49/1089643749.db2.gz SDUUTHQAAFREBM-QGZVFWFLSA-N 0 3 320.436 3.427 20 30 DGEDHN C#CCCCCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001156827592 1089707264 /nfs/dbraw/zinc/70/72/64/1089707264.db2.gz DNBNTVYPNPKBLO-CQSZACIVSA-N 0 3 322.399 3.315 20 30 DGEDHN C#CCCCCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001156827591 1089707936 /nfs/dbraw/zinc/70/79/36/1089707936.db2.gz DNBNTVYPNPKBLO-AWEZNQCLSA-N 0 3 322.399 3.315 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(CC)c(CCC)s1 ZINC001156828651 1089708413 /nfs/dbraw/zinc/70/84/13/1089708413.db2.gz AXDGLXYSSMHQRJ-CQSZACIVSA-N 0 3 320.502 3.336 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC(C)(C)C2CC2)cc1 ZINC001272690869 1089710041 /nfs/dbraw/zinc/71/00/41/1089710041.db2.gz GDRYTKBOJJUOOV-OAHLLOKOSA-N 0 3 312.457 3.413 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](NCc2cc3ccccc3o2)[C@@H](C)C1 ZINC001484887032 1089723549 /nfs/dbraw/zinc/72/35/49/1089723549.db2.gz JWGZEPNHSJKAIA-YJBOKZPZSA-N 0 3 324.424 3.029 20 30 DGEDHN CC[C@@H]1CCCCN1CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC001162475930 1089753239 /nfs/dbraw/zinc/75/32/39/1089753239.db2.gz IMHXDRMOXJTOJK-LLVKDONJSA-N 0 3 308.407 3.204 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001484941421 1089775671 /nfs/dbraw/zinc/77/56/71/1089775671.db2.gz HUPBUIHJFYMKRD-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC001485043330 1089861890 /nfs/dbraw/zinc/86/18/90/1089861890.db2.gz AHCZASXQCDSNBE-UYAOXDASSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1ccccc1 ZINC001485045200 1089864788 /nfs/dbraw/zinc/86/47/88/1089864788.db2.gz OUEJGCYVOOJBOL-TZIWHRDSSA-N 0 3 320.436 3.177 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001485039362 1089874929 /nfs/dbraw/zinc/87/49/29/1089874929.db2.gz VSSIABAAZILLFC-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)/C=C(/C)C1CC1 ZINC001162721168 1089907772 /nfs/dbraw/zinc/90/77/72/1089907772.db2.gz MXUQBZNHNGGVFS-ZCXUNETKSA-N 0 3 324.468 3.027 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c[nH]cc1-c1ccccc1 ZINC001485076398 1089926563 /nfs/dbraw/zinc/92/65/63/1089926563.db2.gz MRNJGAUDNWBQLE-QGZVFWFLSA-N 0 3 323.440 3.404 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001157377012 1089933750 /nfs/dbraw/zinc/93/37/50/1089933750.db2.gz GZTLHIPYDZZHAK-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]([C@H]3CCN(CCF)C3)C2)CCC1 ZINC001485082448 1089943002 /nfs/dbraw/zinc/94/30/02/1089943002.db2.gz OUNXAPAZRVCYFA-SJORKVTESA-N 0 3 322.468 3.263 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1nc2ccccc2cc1C ZINC001162815751 1089971075 /nfs/dbraw/zinc/97/10/75/1089971075.db2.gz ULZMALINIMYZFT-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1c(C)cccc1Cl ZINC001485142163 1089980639 /nfs/dbraw/zinc/98/06/39/1089980639.db2.gz MQHHDDAKYWZWPH-CABCVRRESA-N 0 3 320.864 3.435 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C[C@@H]1CC=CCC1 ZINC001162887578 1090006074 /nfs/dbraw/zinc/00/60/74/1090006074.db2.gz LQDFABIQRUFBIA-HXUWFJFHSA-N 0 3 324.468 3.027 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2cccnc2)CCCC1 ZINC001485232708 1090039177 /nfs/dbraw/zinc/03/91/77/1090039177.db2.gz APDODDJTPRLVGV-CVEARBPZSA-N 0 3 315.461 3.201 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H](CC)CCC ZINC001162970737 1090040281 /nfs/dbraw/zinc/04/02/81/1090040281.db2.gz JCDQTACRNAGAPE-IBGZPJMESA-N 0 3 314.473 3.107 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001485297949 1090088505 /nfs/dbraw/zinc/08/85/05/1090088505.db2.gz OWHLJHVTHFNZJQ-KSSFIOAISA-N 0 3 316.420 3.053 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001485318084 1090098990 /nfs/dbraw/zinc/09/89/90/1090098990.db2.gz CUMOFMCFYYUQAZ-LSDHHAIUSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CCOCC)C2 ZINC001272699339 1090114362 /nfs/dbraw/zinc/11/43/62/1090114362.db2.gz HMXJRUMMNJTCOQ-LJQANCHMSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N1CC[C@@H](C)C(F)(F)CC1 ZINC001157850296 1090131268 /nfs/dbraw/zinc/13/12/68/1090131268.db2.gz XQOXCKCYGIFECB-KGLIPLIRSA-N 0 3 302.409 3.344 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](CC)Cc1ccccc1C ZINC001485373692 1090134242 /nfs/dbraw/zinc/13/42/42/1090134242.db2.gz VAAWYLXESLFHKE-IAGOWNOFSA-N 0 3 302.462 3.186 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](CCCC)CNCC#Cc1ccccc1 ZINC001485463964 1090165786 /nfs/dbraw/zinc/16/57/86/1090165786.db2.gz QJULFCUAAJZERG-QJVFRXGESA-N 0 3 312.457 3.269 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)C1(C)CC1 ZINC001485463985 1090165893 /nfs/dbraw/zinc/16/58/93/1090165893.db2.gz RSBPCFCDIUDDPI-GOSISDBHSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)CNc1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001163380586 1090170017 /nfs/dbraw/zinc/17/00/17/1090170017.db2.gz BATJAKFQRZAWKB-UHFFFAOYSA-N 0 3 305.441 3.340 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001485480638 1090185179 /nfs/dbraw/zinc/18/51/79/1090185179.db2.gz WXBBYVXDGIFSFD-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001485480977 1090186357 /nfs/dbraw/zinc/18/63/57/1090186357.db2.gz VDOWQBHYUJMUKY-MSOLQXFVSA-N 0 3 322.493 3.129 20 30 DGEDHN CCCCCCC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001485494054 1090190777 /nfs/dbraw/zinc/19/07/77/1090190777.db2.gz WGPGTAXJWDPLFM-OAHLLOKOSA-N 0 3 318.461 3.413 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@@H]1CCCCCN1CC#CC)c1ccccc1 ZINC001485485663 1090192999 /nfs/dbraw/zinc/19/29/99/1090192999.db2.gz RZEUPWGWQMWVJZ-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1cccc(Cl)c1 ZINC001163479052 1090195005 /nfs/dbraw/zinc/19/50/05/1090195005.db2.gz HUDLYUQMZKHYMQ-UHFFFAOYSA-N 0 3 315.244 3.121 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001485528419 1090198343 /nfs/dbraw/zinc/19/83/43/1090198343.db2.gz CNOALUQJOGPPCA-WBVHZDCISA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)sc1C ZINC001158191272 1090199230 /nfs/dbraw/zinc/19/92/30/1090199230.db2.gz WTMRZFVUQXVZFL-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2sc(C)nc2C)C(C)(C)C1 ZINC001485580512 1090217827 /nfs/dbraw/zinc/21/78/27/1090217827.db2.gz KCAXHHFBTBJKCB-CQSZACIVSA-N 0 3 321.490 3.166 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCOCC(C)C)CC1(C)C ZINC001485575627 1090221198 /nfs/dbraw/zinc/22/11/98/1090221198.db2.gz PRVLBTRHCJLINK-APWZRJJASA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1(C(F)F)CCC1 ZINC001485737460 1090255279 /nfs/dbraw/zinc/25/52/79/1090255279.db2.gz VKKAUSWYAQUFGO-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001485691942 1090244249 /nfs/dbraw/zinc/24/42/49/1090244249.db2.gz ACEUVGLSSLZFFX-JOCQHMNTSA-N 0 3 310.825 3.254 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccsc1C ZINC001485721817 1090250635 /nfs/dbraw/zinc/25/06/35/1090250635.db2.gz WSKANBQZTDXJHE-NSHDSACASA-N 0 3 300.855 3.297 20 30 DGEDHN C=CCCC(=O)NCCC1(CNCc2cccc(Cl)n2)CC1 ZINC001163762949 1090253189 /nfs/dbraw/zinc/25/31/89/1090253189.db2.gz QLMWSPHCLIWUSZ-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001485729114 1090257931 /nfs/dbraw/zinc/25/79/31/1090257931.db2.gz ASYOMALTLISBAV-LVQVYYBASA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](F)c2ccccc2)cc1 ZINC001272700772 1090258402 /nfs/dbraw/zinc/25/84/02/1090258402.db2.gz NGJHEXUHGRKUGN-KXBFYZLASA-N 0 3 324.399 3.297 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1 ZINC001485745007 1090263446 /nfs/dbraw/zinc/26/34/46/1090263446.db2.gz PAGKHFXZCNHBLK-GJZGRUSLSA-N 0 3 308.853 3.417 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001163855550 1090274408 /nfs/dbraw/zinc/27/44/08/1090274408.db2.gz HLNWWWKDGZXWTF-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1oc(CCC)nc1C ZINC001163855768 1090274584 /nfs/dbraw/zinc/27/45/84/1090274584.db2.gz RUDBSNATIZMRHT-UHFFFAOYSA-N 0 3 321.465 3.134 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1cccc(OC)c1Cl ZINC001163953625 1090296298 /nfs/dbraw/zinc/29/62/98/1090296298.db2.gz YETFZZUOPMZFLR-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1c(Cl)cccc1OC ZINC001163953583 1090296926 /nfs/dbraw/zinc/29/69/26/1090296926.db2.gz WNFLWLQKVTZIME-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C=CCCCCCCN1CCC[C@]12CCN(CC(F)F)C2=O ZINC001272701980 1090298077 /nfs/dbraw/zinc/29/80/77/1090298077.db2.gz MZIFQJIVCQGKNP-QGZVFWFLSA-N 0 3 314.420 3.455 20 30 DGEDHN CC(C)=C(C)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001164043775 1090325026 /nfs/dbraw/zinc/32/50/26/1090325026.db2.gz IGFZCNKHLLIKSD-UHFFFAOYSA-N 0 3 317.408 3.040 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1oc(CCC)nc1C ZINC001164345446 1090406599 /nfs/dbraw/zinc/40/65/99/1090406599.db2.gz ACHPOZLCBNJQEA-AWEZNQCLSA-N 0 3 321.465 3.134 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164360169 1090412590 /nfs/dbraw/zinc/41/25/90/1090412590.db2.gz FXLQLILMYMAFIZ-CYBMUJFWSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)CC(F)F)CC1 ZINC001165410358 1090516843 /nfs/dbraw/zinc/51/68/43/1090516843.db2.gz CSDXCRIHFSAAAK-UHFFFAOYSA-N 0 3 322.827 3.296 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CCC(C)(F)F)CC1 ZINC001165805386 1090549486 /nfs/dbraw/zinc/54/94/86/1090549486.db2.gz IDIOFYCRVGWPPF-UHFFFAOYSA-N 0 3 308.800 3.050 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001165930125 1090563708 /nfs/dbraw/zinc/56/37/08/1090563708.db2.gz SLUREATZPVTCFT-QGZVFWFLSA-N 0 3 324.852 3.244 20 30 DGEDHN CCC1([N-]c2c(F)c(F)c(C(F)(F)F)c(F)c2F)C[NH2+]C1 ZINC001168582498 1090581298 /nfs/dbraw/zinc/58/12/98/1090581298.db2.gz SGBRFDMJXHJVEK-UHFFFAOYSA-N 0 3 316.220 3.426 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1nc(C)sc1C ZINC001272803301 1090588950 /nfs/dbraw/zinc/58/89/50/1090588950.db2.gz QOYFCRBZWLMAQN-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001166315554 1090595408 /nfs/dbraw/zinc/59/54/08/1090595408.db2.gz KVWSVSNHYDVGJA-PHZGNYQRSA-N 0 3 324.896 3.441 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1OC1CCC1 ZINC001166309484 1090595942 /nfs/dbraw/zinc/59/59/42/1090595942.db2.gz IWYHHEDFKBZYTK-UHFFFAOYSA-N 0 3 322.836 3.080 20 30 DGEDHN C=CCCCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001272811009 1090618451 /nfs/dbraw/zinc/61/84/51/1090618451.db2.gz QUHDIWHNXYLISJ-UHFFFAOYSA-N 0 3 318.383 3.220 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001166864071 1090669652 /nfs/dbraw/zinc/66/96/52/1090669652.db2.gz YFLGJYZTHCSKFR-UHFFFAOYSA-N 0 3 321.852 3.134 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001166882461 1090671946 /nfs/dbraw/zinc/67/19/46/1090671946.db2.gz MPHRYRGMHWFGOI-ZFWWWQNUSA-N 0 3 312.885 3.441 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(Cl)ccc1F ZINC001272897628 1090672425 /nfs/dbraw/zinc/67/24/25/1090672425.db2.gz KQENVEITWLJENK-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(Cl)cc1F ZINC001272897777 1090673256 /nfs/dbraw/zinc/67/32/56/1090673256.db2.gz NNKWRTOFASVVFC-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C=C(\C)C3CC3)cccc2C1 ZINC001272908743 1090677886 /nfs/dbraw/zinc/67/78/86/1090677886.db2.gz CAKLLVCDLBWOGO-DTQAZKPQSA-N 0 3 322.452 3.041 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C[C@@H](C)C3CC3)cccc2C1 ZINC001272917075 1090680463 /nfs/dbraw/zinc/68/04/63/1090680463.db2.gz NCPMEUXAHSGUNF-MRXNPFEDSA-N 0 3 324.468 3.120 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccn(-c3ccccc3)n1)C2 ZINC001203445894 1090683948 /nfs/dbraw/zinc/68/39/48/1090683948.db2.gz BOUNMEKITRLBDA-LJQANCHMSA-N 0 3 314.392 3.001 20 30 DGEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)C1(C)CCCC1 ZINC001272936489 1090706644 /nfs/dbraw/zinc/70/66/44/1090706644.db2.gz NAAPOEFJZQUQGH-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)C1(C)CCCC1 ZINC001272936488 1090706697 /nfs/dbraw/zinc/70/66/97/1090706697.db2.gz NAAPOEFJZQUQGH-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001485880662 1090716542 /nfs/dbraw/zinc/71/65/42/1090716542.db2.gz RIAJBSVRDGIMHU-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1cn(C(C)C)nc1C ZINC001485881056 1090721928 /nfs/dbraw/zinc/72/19/28/1090721928.db2.gz ZXGWNZXSJQOYKQ-OAHLLOKOSA-N 0 3 320.481 3.065 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cn3cc(Cl)ccc3n1)C2 ZINC001203447038 1090736415 /nfs/dbraw/zinc/73/64/15/1090736415.db2.gz KUIQRTJHINMZQP-MRXNPFEDSA-N 0 3 322.799 3.116 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001485959181 1090738506 /nfs/dbraw/zinc/73/85/06/1090738506.db2.gz OHWVMHPBHGWZQE-CYBMUJFWSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001486122616 1090755195 /nfs/dbraw/zinc/75/51/95/1090755195.db2.gz SPEAYXRMJYNMQO-HOCLYGCPSA-N 0 3 304.409 3.261 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC001486130420 1090758175 /nfs/dbraw/zinc/75/81/75/1090758175.db2.gz NUEQPOULOAPZLZ-BBRMVZONSA-N 0 3 312.438 3.117 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2c[nH]c3ccccc23)C1=O ZINC001272940644 1090768176 /nfs/dbraw/zinc/76/81/76/1090768176.db2.gz QVMWTRHBBJAXKB-FQEVSTJZSA-N 0 3 323.440 3.311 20 30 DGEDHN CCc1ccccc1CN1CCC[C@H](NC(=O)C#CC2CC2)[C@@H]1C ZINC001486173814 1090774562 /nfs/dbraw/zinc/77/45/62/1090774562.db2.gz NGHROQQVPXQQAA-JXFKEZNVSA-N 0 3 324.468 3.132 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCC(F)(F)C1)C(C)C ZINC001486376195 1090813445 /nfs/dbraw/zinc/81/34/45/1090813445.db2.gz YKBOFZMCOKCIEU-OAHLLOKOSA-N 0 3 314.420 3.004 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC001203822666 1090813689 /nfs/dbraw/zinc/81/36/89/1090813689.db2.gz YCQKZDYYAIEWGO-RBUKOAKNSA-N 0 3 317.429 3.021 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cnc(CC)s1)C(C)C ZINC001486380925 1090816647 /nfs/dbraw/zinc/81/66/47/1090816647.db2.gz ZSXOEOPWJJGBSX-UHFFFAOYSA-N 0 3 309.479 3.064 20 30 DGEDHN CC[C@@H](C)CCCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001128168842 1090826996 /nfs/dbraw/zinc/82/69/96/1090826996.db2.gz WHUOQOPIKOXCES-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CCC[C@]1(O)C(F)(F)F ZINC001203900104 1090832879 /nfs/dbraw/zinc/83/28/79/1090832879.db2.gz RZVICQLTDFHXOX-IUODEOHRSA-N 0 3 312.335 3.084 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CCC2CCCCC2)CC1 ZINC001486441861 1090840883 /nfs/dbraw/zinc/84/08/83/1090840883.db2.gz UWJYOXDPTYZTMR-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCC(=O)N(C)C1CC(NCC#Cc2ccc(Cl)cc2)C1 ZINC001486453837 1090842949 /nfs/dbraw/zinc/84/29/49/1090842949.db2.gz UHCBVWBAQOZJBH-UHFFFAOYSA-N 0 3 318.848 3.071 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2cccc(C)c2)C1 ZINC001486472496 1090847332 /nfs/dbraw/zinc/84/73/32/1090847332.db2.gz HNOXJEXJCQOFDI-UHFFFAOYSA-N 0 3 320.864 3.259 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@@H](C)c3ccccc3)CC2)CC1 ZINC001486490674 1090855612 /nfs/dbraw/zinc/85/56/12/1090855612.db2.gz ZDNXWHFPWTWCJY-QGZVFWFLSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3c[nH]c4ccccc34)C2)C1=O ZINC001204046034 1090882954 /nfs/dbraw/zinc/88/29/54/1090882954.db2.gz VZFFZXSQTGLBCF-HXUWFJFHSA-N 0 3 323.440 3.168 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001128199470 1090901785 /nfs/dbraw/zinc/90/17/85/1090901785.db2.gz JBICULDRENGVLJ-NSHDSACASA-N 0 3 312.816 3.371 20 30 DGEDHN N#Cc1ccccc1OC1CCN(Cc2ccc(O)cc2)CC1 ZINC001204098047 1090901838 /nfs/dbraw/zinc/90/18/38/1090901838.db2.gz UFGGFOUFUPTLMH-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC001272964174 1090934707 /nfs/dbraw/zinc/93/47/07/1090934707.db2.gz ATROJZUKAKVGSP-QGZVFWFLSA-N 0 3 324.424 3.337 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3ccc(C(C)C)cc3)CC2)C1=O ZINC001272968610 1090939559 /nfs/dbraw/zinc/93/95/59/1090939559.db2.gz DWXRPSXZBVAHAD-UHFFFAOYSA-N 0 3 324.468 3.258 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H](OCC)[C@H]3OCCC[C@H]32)cc1 ZINC001204301238 1090942996 /nfs/dbraw/zinc/94/29/96/1090942996.db2.gz SUZZHLCWHCKZQQ-QRVBRYPASA-N 0 3 317.429 3.020 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)OC)CC2)cc1 ZINC001204302757 1090944350 /nfs/dbraw/zinc/94/43/50/1090944350.db2.gz RZKIAEHWSXEDIL-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN Cc1ccc(C#N)c(Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC001204538259 1090995232 /nfs/dbraw/zinc/99/52/32/1090995232.db2.gz XMOWMLSOEAAOCB-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN C#Cc1ccc(Nc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001204575185 1091001297 /nfs/dbraw/zinc/00/12/97/1091001297.db2.gz ZXXSAVZSMGMHIG-UHFFFAOYSA-N 0 3 305.425 3.159 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2cc3ccccc3o2)CCC1 ZINC001273077744 1091028227 /nfs/dbraw/zinc/02/82/27/1091028227.db2.gz UCJVOEGDNVTHGR-UHFFFAOYSA-N 0 3 324.424 3.221 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3cc(C#N)ccc3F)cc2)CC1 ZINC001204750899 1091029218 /nfs/dbraw/zinc/02/92/18/1091029218.db2.gz FLJRUHZCPLYFOG-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCCC(=O)N1CCC(CNCc2nc(C)sc2C)CC1 ZINC001204753477 1091030801 /nfs/dbraw/zinc/03/08/01/1091030801.db2.gz LBHJCWSDUOIBFU-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108115621 1091094926 /nfs/dbraw/zinc/09/49/26/1091094926.db2.gz RXKXRHWDMCMAAU-APWZRJJASA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108131013 1091119518 /nfs/dbraw/zinc/11/95/18/1091119518.db2.gz ZBSKEMRHQFLYON-PKOBYXMFSA-N 0 3 322.493 3.295 20 30 DGEDHN CC(C)(C)Oc1cccc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001138278807 1091131285 /nfs/dbraw/zinc/13/12/85/1091131285.db2.gz DLONFYMRMKMTMF-CQSZACIVSA-N 0 3 318.442 3.033 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc2cc(C)nn2c2ccccc21 ZINC001307154035 1091202222 /nfs/dbraw/zinc/20/22/22/1091202222.db2.gz SQWISNMBUHYDDE-UHFFFAOYSA-N 0 3 323.444 3.135 20 30 DGEDHN Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(S)CC1 ZINC001138502310 1091207945 /nfs/dbraw/zinc/20/79/45/1091207945.db2.gz OUKDECHCNRDSDN-UHFFFAOYSA-N 0 3 315.486 3.442 20 30 DGEDHN Cc1cc(C)cc(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001202838948 1091223651 /nfs/dbraw/zinc/22/36/51/1091223651.db2.gz GYVVUMITMYUKFE-AWEZNQCLSA-N 0 3 302.399 3.109 20 30 DGEDHN Cc1cc(C)cc(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001202838949 1091224441 /nfs/dbraw/zinc/22/44/41/1091224441.db2.gz GYVVUMITMYUKFE-CQSZACIVSA-N 0 3 302.399 3.109 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)c(Cl)c1F ZINC001163098870 1091230053 /nfs/dbraw/zinc/23/00/53/1091230053.db2.gz ILMZTXNGNDNACM-UHFFFAOYSA-N 0 3 319.207 3.250 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1[O-] ZINC001138628300 1091260504 /nfs/dbraw/zinc/26/05/04/1091260504.db2.gz RPELIHRDNNYCBL-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=CCc1cccc(CN2CCN(c3cc(C)ccn3)CC2)c1O ZINC001138628300 1091260509 /nfs/dbraw/zinc/26/05/09/1091260509.db2.gz RPELIHRDNNYCBL-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1[O-] ZINC001138631098 1091263166 /nfs/dbraw/zinc/26/31/66/1091263166.db2.gz KSZUKQROWFXXGA-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1[O-] ZINC001138631098 1091263172 /nfs/dbraw/zinc/26/31/72/1091263172.db2.gz KSZUKQROWFXXGA-GOSISDBHSA-N 0 3 324.424 3.477 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c1[O-] ZINC001138630076 1091263202 /nfs/dbraw/zinc/26/32/02/1091263202.db2.gz QGNHOGNGAYEKQP-MRXNPFEDSA-N 0 3 301.430 3.369 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c1[O-] ZINC001138630076 1091263212 /nfs/dbraw/zinc/26/32/12/1091263212.db2.gz QGNHOGNGAYEKQP-MRXNPFEDSA-N 0 3 301.430 3.369 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)c1[O-] ZINC001138629984 1091264672 /nfs/dbraw/zinc/26/46/72/1091264672.db2.gz MEDKXBLDPPSBIF-INIZCTEOSA-N 0 3 313.401 3.192 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c1[O-] ZINC001138629984 1091264682 /nfs/dbraw/zinc/26/46/82/1091264682.db2.gz MEDKXBLDPPSBIF-INIZCTEOSA-N 0 3 313.401 3.192 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@](O)(CF)CC1 ZINC001138661929 1091279548 /nfs/dbraw/zinc/27/95/48/1091279548.db2.gz JGZDMGOUXGVZME-SFHVURJKSA-N 0 3 307.409 3.328 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C)cc(C)cc1C ZINC001273167965 1091313078 /nfs/dbraw/zinc/31/30/78/1091313078.db2.gz NKJIWRXRSGUCNO-HNNXBMFYSA-N 0 3 308.853 3.462 20 30 DGEDHN C=CCOc1ccccc1CN1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001139029563 1091425134 /nfs/dbraw/zinc/42/51/34/1091425134.db2.gz DOILHAKWYQIMBK-ZBFHGGJFSA-N 0 3 303.402 3.025 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001206094498 1091489566 /nfs/dbraw/zinc/48/95/66/1091489566.db2.gz NOLPUMBWBYUVRC-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccnc3ccccc32)no1 ZINC001206099762 1091491818 /nfs/dbraw/zinc/49/18/18/1091491818.db2.gz CRBYMKHAXHQRAS-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3onc(C)c3c2)no1 ZINC001206100976 1091491987 /nfs/dbraw/zinc/49/19/87/1091491987.db2.gz YRZUWTRKIVOOAC-UHFFFAOYSA-N 0 3 310.357 3.295 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001206100167 1091492237 /nfs/dbraw/zinc/49/22/37/1091492237.db2.gz JKBFVBOBAYPULB-UHFFFAOYSA-N 0 3 324.306 3.259 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)c2ccccc2n1 ZINC001161185214 1091500415 /nfs/dbraw/zinc/50/04/15/1091500415.db2.gz JJUYAMPYGFLTIN-UHFFFAOYSA-N 0 3 317.820 3.005 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084578192 1091505790 /nfs/dbraw/zinc/50/57/90/1091505790.db2.gz OGSFBTDHIDFINV-IAGOWNOFSA-N 0 3 302.462 3.232 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001084575059 1091512088 /nfs/dbraw/zinc/51/20/88/1091512088.db2.gz ZIJANRAHJMATLK-CGTJXYLNSA-N 0 3 312.457 3.493 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001084775194 1091560823 /nfs/dbraw/zinc/56/08/23/1091560823.db2.gz WQBPUDICGKJNEG-RCCFBDPRSA-N 0 3 316.489 3.149 20 30 DGEDHN CCOC(=O)c1[nH]c2ccccc2c1CN1CCC(S)CC1 ZINC001139463286 1091565618 /nfs/dbraw/zinc/56/56/18/1091565618.db2.gz ULLKNLOPHWLMHX-UHFFFAOYSA-N 0 3 318.442 3.239 20 30 DGEDHN C=C[C@@H](C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21)c1ccccc1 ZINC001084847512 1091589714 /nfs/dbraw/zinc/58/97/14/1091589714.db2.gz YFYZAFFFJPJVAJ-VAMGGRTRSA-N 0 3 324.468 3.455 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084847521 1091590045 /nfs/dbraw/zinc/59/00/45/1091590045.db2.gz YKZKIDZECYIRDQ-YQVWRLOYSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc([C@H](C)CC)cc3)[C@@H]2C1 ZINC001084856874 1091595232 /nfs/dbraw/zinc/59/52/32/1091595232.db2.gz YUHIHFQFIKTHSM-NSISKUIASA-N 0 3 324.468 3.370 20 30 DGEDHN N#Cc1cccc2c(CN3CCC4(C[C@H](F)CO4)CC3)c[nH]c21 ZINC001139705931 1091648673 /nfs/dbraw/zinc/64/86/73/1091648673.db2.gz HJBRROIMSDYMPF-HNNXBMFYSA-N 0 3 313.376 3.133 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)C[C@@H]21 ZINC001085048462 1091650924 /nfs/dbraw/zinc/65/09/24/1091650924.db2.gz QOGUKRUHYMHFDG-UHOSZYNNSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](F)CC3CCCCC3)C[C@@H]21 ZINC001085075517 1091658752 /nfs/dbraw/zinc/65/87/52/1091658752.db2.gz PKSFLTVFACNFCI-SQNIBIBYSA-N 0 3 322.468 3.404 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCCCC ZINC001098961070 1091687233 /nfs/dbraw/zinc/68/72/33/1091687233.db2.gz VKDGCPAEAYJFPV-DLBZAZTESA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231255259 1091687866 /nfs/dbraw/zinc/68/78/66/1091687866.db2.gz LAPVRRAAZRGMTE-JKSUJKDBSA-N 0 3 314.539 3.489 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CC)n1 ZINC001085227034 1091720463 /nfs/dbraw/zinc/72/04/63/1091720463.db2.gz CFGCBPPWGZXPJG-HUUCEWRRSA-N 0 3 321.852 3.027 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc(C)c1 ZINC001085316249 1091745348 /nfs/dbraw/zinc/74/53/48/1091745348.db2.gz ZMXFITGTJDONCL-IAGOWNOFSA-N 0 3 320.864 3.307 20 30 DGEDHN Cc1nnc(C2CCN(Cc3c[nH]c4ccc(C#N)cc34)CC2)o1 ZINC001140115446 1091772874 /nfs/dbraw/zinc/77/28/74/1091772874.db2.gz ANGIPWQCJQYFKG-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN CC1/C(=C/c2ccc3c(c2)CCC(C)(C)O3)C(=O)c2ncnn21 ZINC000828330314 1091822742 /nfs/dbraw/zinc/82/27/42/1091822742.db2.gz ISFIVBZMWUCDMS-HOXUKUGESA-N 0 3 309.369 3.223 20 30 DGEDHN O=C(C1CCCCC1)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207092466 1091842665 /nfs/dbraw/zinc/84/26/65/1091842665.db2.gz ZWALVPYKACUAQU-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2scnc21 ZINC001085594752 1091846819 /nfs/dbraw/zinc/84/68/19/1091846819.db2.gz PBBYAHNYPLCNAS-CYBMUJFWSA-N 0 3 315.442 3.019 20 30 DGEDHN C#CCCCC(=O)N(CC)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001273348772 1091851682 /nfs/dbraw/zinc/85/16/82/1091851682.db2.gz WBFMGJYUWIMTIY-CQSZACIVSA-N 0 3 322.399 3.267 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085610071 1091853553 /nfs/dbraw/zinc/85/35/53/1091853553.db2.gz IMHBVRSZARUKJH-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085619823 1091857784 /nfs/dbraw/zinc/85/77/84/1091857784.db2.gz YYXBNPLJAGTVGY-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001297380470 1091872538 /nfs/dbraw/zinc/87/25/38/1091872538.db2.gz ZLISKQFZOUFCFO-ZIAGYGMSSA-N 0 3 322.399 3.035 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001297380468 1091872780 /nfs/dbraw/zinc/87/27/80/1091872780.db2.gz ZLISKQFZOUFCFO-UONOGXRCSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccsc1COC ZINC001085672084 1091880349 /nfs/dbraw/zinc/88/03/49/1091880349.db2.gz OOQJUCOSNLRWBH-AWEZNQCLSA-N 0 3 322.474 3.007 20 30 DGEDHN C=CCN(CCN1CC[C@@](C)(CF)C1)C(=O)OC(C)(C)C ZINC001207198281 1091885493 /nfs/dbraw/zinc/88/54/93/1091885493.db2.gz AVPWNJVHUBXSMW-INIZCTEOSA-N 0 3 300.418 3.091 20 30 DGEDHN COc1ccc(CN2CCC(S)CC2)cc1OCC1CC1 ZINC001140490599 1091887729 /nfs/dbraw/zinc/88/77/29/1091887729.db2.gz WBVMNVOFVAZPGT-UHFFFAOYSA-N 0 3 307.459 3.378 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1F ZINC001085707245 1091896963 /nfs/dbraw/zinc/89/69/63/1091896963.db2.gz HDBROBXCXXBVLA-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001085750984 1091912801 /nfs/dbraw/zinc/91/28/01/1091912801.db2.gz UUPHMZFYAIIZJG-JTQLQIEISA-N 0 3 316.232 3.044 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2ccsc2c1 ZINC001085761524 1091915601 /nfs/dbraw/zinc/91/56/01/1091915601.db2.gz MGJSQVOOPLUDPR-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085777836 1091932038 /nfs/dbraw/zinc/93/20/38/1091932038.db2.gz DCSBUUSHXCYMLX-HNNXBMFYSA-N 0 3 303.450 3.080 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cncc2sccc21 ZINC001085783388 1091933337 /nfs/dbraw/zinc/93/33/37/1091933337.db2.gz USRHWLIEBMOZEI-CYBMUJFWSA-N 0 3 315.442 3.019 20 30 DGEDHN CCCCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207352547 1091933473 /nfs/dbraw/zinc/93/34/73/1091933473.db2.gz LXONCOPVJKFXMO-CQSZACIVSA-N 0 3 319.474 3.281 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791623 1091935090 /nfs/dbraw/zinc/93/50/90/1091935090.db2.gz NSMPIESGDXHHKW-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085819165 1091953931 /nfs/dbraw/zinc/95/39/31/1091953931.db2.gz QYHGNFKMMIAKTP-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001085868049 1091988122 /nfs/dbraw/zinc/98/81/22/1091988122.db2.gz DDAGRVHBKQKYHL-GBESFXJTSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(F)cc1C)C2 ZINC001140779809 1091994449 /nfs/dbraw/zinc/99/44/49/1091994449.db2.gz BMAPPMYMPSBPEG-MOPGFXCFSA-N 0 3 319.420 3.460 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccoc1CCC ZINC001085925662 1092014963 /nfs/dbraw/zinc/01/49/63/1092014963.db2.gz BGOUVSLFOIVUPE-OAHLLOKOSA-N 0 3 304.434 3.345 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1occ2c1CCCC2 ZINC001085946590 1092036070 /nfs/dbraw/zinc/03/60/70/1092036070.db2.gz MSXZVGYBQQJJNJ-INIZCTEOSA-N 0 3 316.445 3.271 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001207606280 1092039585 /nfs/dbraw/zinc/03/95/85/1092039585.db2.gz GYTCWRGIWLCCOT-QGZVFWFLSA-N 0 3 320.408 3.135 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC001085958287 1092047691 /nfs/dbraw/zinc/04/76/91/1092047691.db2.gz XVHLRVIGHBJXPQ-LJQANCHMSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC001085958286 1092048152 /nfs/dbraw/zinc/04/81/52/1092048152.db2.gz XVHLRVIGHBJXPQ-IBGZPJMESA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1Cl ZINC001085956886 1092052378 /nfs/dbraw/zinc/05/23/78/1092052378.db2.gz MXUSVUOUUVDQAB-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC001207635480 1092053735 /nfs/dbraw/zinc/05/37/35/1092053735.db2.gz KTPYWHACEMTJNS-INIZCTEOSA-N 0 3 312.413 3.480 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC001085960825 1092058868 /nfs/dbraw/zinc/05/88/68/1092058868.db2.gz PNWCGXLSJAAPGV-QGZVFWFLSA-N 0 3 300.446 3.334 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC001085964377 1092063844 /nfs/dbraw/zinc/06/38/44/1092063844.db2.gz GYIYMMJILOOWLQ-QGZVFWFLSA-N 0 3 317.477 3.408 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995436 1092081012 /nfs/dbraw/zinc/08/10/12/1092081012.db2.gz MMTVZBPFXBOHQN-KRWDZBQOSA-N 0 3 312.457 3.288 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207719127 1092081120 /nfs/dbraw/zinc/08/11/20/1092081120.db2.gz ZFJQAXQQIZIFED-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN(C)C[C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207820340 1092109458 /nfs/dbraw/zinc/10/94/58/1092109458.db2.gz DRORKTXGBUVHKU-OLZOCXBDSA-N 0 3 318.408 3.243 20 30 DGEDHN C=CCN(C)C[C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207820338 1092109530 /nfs/dbraw/zinc/10/95/30/1092109530.db2.gz DRORKTXGBUVHKU-CHWSQXEVSA-N 0 3 318.408 3.243 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001086156397 1092144249 /nfs/dbraw/zinc/14/42/49/1092144249.db2.gz CREXZONLEMJFET-ABPIDSFRSA-N 0 3 310.869 3.050 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001207944489 1092151206 /nfs/dbraw/zinc/15/12/06/1092151206.db2.gz ORNQUPWJZHMTRF-CYBMUJFWSA-N 0 3 324.877 3.286 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001086195276 1092157875 /nfs/dbraw/zinc/15/78/75/1092157875.db2.gz LCIGCUADOBZTJT-RWMBFGLXSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001086196337 1092159445 /nfs/dbraw/zinc/15/94/45/1092159445.db2.gz FOGYXQVZWVMWNX-OTVXOJSOSA-N 0 3 321.852 3.056 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001208036446 1092182618 /nfs/dbraw/zinc/18/26/18/1092182618.db2.gz LABZFCOPUUFKOE-FGTMMUONSA-N 0 3 324.509 3.232 20 30 DGEDHN N#Cc1ccc(Oc2ccc(CN3CCN4CC[C@H]4C3)cc2)cc1 ZINC001141298144 1092200211 /nfs/dbraw/zinc/20/02/11/1092200211.db2.gz LKPAAAKTSFGFFK-SFHVURJKSA-N 0 3 319.408 3.240 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cnccc2C)CCCC1 ZINC001491700263 1092202855 /nfs/dbraw/zinc/20/28/55/1092202855.db2.gz XCJHSCLJJSKBNS-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN CCCCCCC/C=C/CN1CC[C@H]2OCC[C@@]2(C(=O)NC)C1 ZINC001208120819 1092204045 /nfs/dbraw/zinc/20/40/45/1092204045.db2.gz UPONYTNUMXRANJ-BBSZANLASA-N 0 3 322.493 3.130 20 30 DGEDHN CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001491784317 1092231268 /nfs/dbraw/zinc/23/12/68/1092231268.db2.gz KQVHKVHRFZJGQT-INIZCTEOSA-N 0 3 318.461 3.414 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001208251890 1092291864 /nfs/dbraw/zinc/29/18/64/1092291864.db2.gz BZQHUOZRPKEFQV-MRXNPFEDSA-N 0 3 304.409 3.263 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001208253208 1092292568 /nfs/dbraw/zinc/29/25/68/1092292568.db2.gz WLFPKYJJRXPWIA-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001208309040 1092306749 /nfs/dbraw/zinc/30/67/49/1092306749.db2.gz ACYWOMDBNOLBQJ-NVXWUHKLSA-N 0 3 300.446 3.144 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001491953539 1092319502 /nfs/dbraw/zinc/31/95/02/1092319502.db2.gz BRYYQKDOPZUXQW-OALUTQOASA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC001491953696 1092320105 /nfs/dbraw/zinc/32/01/05/1092320105.db2.gz CBXDFHZZSQSFOY-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001208393745 1092340760 /nfs/dbraw/zinc/34/07/60/1092340760.db2.gz XVPNDAPOLAPKDQ-JFIYKMOQSA-N 0 3 300.446 3.225 20 30 DGEDHN C[C@H](C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1)C1CCC1 ZINC001208401043 1092342566 /nfs/dbraw/zinc/34/25/66/1092342566.db2.gz RQCHOZJDWVYINP-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN CSc1nc(CN2CCc3ccccc3CC2)ccc1C#N ZINC001141938852 1092364822 /nfs/dbraw/zinc/36/48/22/1092364822.db2.gz JDFRVIKCJKLVQV-UHFFFAOYSA-N 0 3 309.438 3.276 20 30 DGEDHN C[C@H]1C[C@@H](O)CCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141978005 1092374993 /nfs/dbraw/zinc/37/49/93/1092374993.db2.gz WPQRFYBNISBSSF-RDJZCZTQSA-N 0 3 311.450 3.493 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2cc(F)ccc2F)C1 ZINC001492081003 1092397314 /nfs/dbraw/zinc/39/73/14/1092397314.db2.gz JEXTWEQXGDKOGC-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)c2ccsc2C#N)c(F)c1 ZINC001142142659 1092419858 /nfs/dbraw/zinc/41/98/58/1092419858.db2.gz FIOCDGARQYMUQS-UHFFFAOYSA-N 0 3 303.362 3.073 20 30 DGEDHN C[C@@H](CN1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC001208712303 1092469019 /nfs/dbraw/zinc/46/90/19/1092469019.db2.gz BQQCSLBPDQOEAY-KRWDZBQOSA-N 0 3 307.441 3.475 20 30 DGEDHN N#Cc1cccc(N2CCN(CCCc3ccc(F)cc3)CC2)c1 ZINC001208775484 1092502504 /nfs/dbraw/zinc/50/25/04/1092502504.db2.gz QZLKMAUQEYRMST-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001316673625 1092527613 /nfs/dbraw/zinc/52/76/13/1092527613.db2.gz GKDTVVQEVZHCRK-DOTOQJQBSA-N 0 3 316.445 3.189 20 30 DGEDHN N#Cc1cccc(CCCN2CCN(c3cccc(F)c3)CC2)c1 ZINC001208854672 1092546409 /nfs/dbraw/zinc/54/64/09/1092546409.db2.gz SBYWKKPXZZRVJD-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN Cc1nc([C@@H]2CCCN(CCCc3ccc(C#N)cc3)C2)no1 ZINC001208856443 1092546738 /nfs/dbraw/zinc/54/67/38/1092546738.db2.gz NVYQYVNYDHJQKF-QGZVFWFLSA-N 0 3 310.401 3.062 20 30 DGEDHN N#Cc1ccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001142922485 1092587630 /nfs/dbraw/zinc/58/76/30/1092587630.db2.gz JHBIAOQISPZSHD-UHFFFAOYSA-N 0 3 303.365 3.303 20 30 DGEDHN N#Cc1ccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001142922485 1092587640 /nfs/dbraw/zinc/58/76/40/1092587640.db2.gz JHBIAOQISPZSHD-UHFFFAOYSA-N 0 3 303.365 3.303 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001208932585 1092594714 /nfs/dbraw/zinc/59/47/14/1092594714.db2.gz GDKZGMZOSJXHOR-QRQLOZEOSA-N 0 3 314.473 3.439 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(Cl)cc2)C(C)(C)C1 ZINC001276600519 1092614422 /nfs/dbraw/zinc/61/44/22/1092614422.db2.gz FERAZWJOHAKCRC-MRXNPFEDSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN(CCN(C)Cc1ccc(C)c(C)c1)C(=O)OCC ZINC001209020013 1092626654 /nfs/dbraw/zinc/62/66/54/1092626654.db2.gz AURISNYUZIBUOL-UHFFFAOYSA-N 0 3 304.434 3.380 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001209028271 1092628497 /nfs/dbraw/zinc/62/84/97/1092628497.db2.gz FNBJELNIORGJAU-JJRVBVJISA-N 0 3 320.864 3.141 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001209029487 1092629896 /nfs/dbraw/zinc/62/98/96/1092629896.db2.gz POGRUWUTJBZNMQ-BHIYHBOVSA-N 0 3 314.473 3.268 20 30 DGEDHN Cc1ccnc(CCNc2ccc(/N=C/N(C)C)c(C#N)c2)c1 ZINC001169319898 1092637132 /nfs/dbraw/zinc/63/71/32/1092637132.db2.gz JYVKYUAYCWQTEF-LPYMAVHISA-N 0 3 307.401 3.138 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001209134789 1092667959 /nfs/dbraw/zinc/66/79/59/1092667959.db2.gz UNRIWQGNHYKIRP-LZLYRXPVSA-N 0 3 300.446 3.111 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209155919 1092674243 /nfs/dbraw/zinc/67/42/43/1092674243.db2.gz GZWHWOWMOHOIOF-CYBMUJFWSA-N 0 3 317.260 3.080 20 30 DGEDHN C=CCCCN1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001209161018 1092675967 /nfs/dbraw/zinc/67/59/67/1092675967.db2.gz HABLFXJABXWZOT-LJQANCHMSA-N 0 3 300.446 3.324 20 30 DGEDHN C=CCCCN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001209160908 1092676598 /nfs/dbraw/zinc/67/65/98/1092676598.db2.gz DIHQSROHTWAVQP-UHFFFAOYSA-N 0 3 312.417 3.029 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CCN1CCC(C#N)CC1 ZINC001209164622 1092677427 /nfs/dbraw/zinc/67/74/27/1092677427.db2.gz FPNFGDPTLOUKMG-INIZCTEOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2cncc(C)c2)C1 ZINC001209193919 1092689422 /nfs/dbraw/zinc/68/94/22/1092689422.db2.gz LRWWTJVAEUVCMF-FUHWJXTLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001209193653 1092689813 /nfs/dbraw/zinc/68/98/13/1092689813.db2.gz JPLOILJMJGMHKV-SJORKVTESA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001209192529 1092689822 /nfs/dbraw/zinc/68/98/22/1092689822.db2.gz AGLFFDSTPZWIDP-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN N#Cc1ccc(CNCCNC(=O)CCC2CCCCC2)s1 ZINC001149785700 1092731905 /nfs/dbraw/zinc/73/19/05/1092731905.db2.gz CMRVKXYTTFOOCL-UHFFFAOYSA-N 0 3 319.474 3.186 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H](CC)CCCC)C1 ZINC001150005554 1092748332 /nfs/dbraw/zinc/74/83/32/1092748332.db2.gz JRLHYLHJHOQTHX-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN Cc1cc(C)c(C(=O)NCCNCc2cccc(C#N)c2)c(C)c1 ZINC001150163743 1092760176 /nfs/dbraw/zinc/76/01/76/1092760176.db2.gz HXSKQPBQSCXYDC-UHFFFAOYSA-N 0 3 321.424 3.003 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001150184929 1092761927 /nfs/dbraw/zinc/76/19/27/1092761927.db2.gz FSSHCEBMJRPIBU-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001329592364 1092769643 /nfs/dbraw/zinc/76/96/43/1092769643.db2.gz NTIXLUSTFOYAPG-MNOVXSKESA-N 0 3 300.855 3.128 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001150586986 1092796726 /nfs/dbraw/zinc/79/67/26/1092796726.db2.gz DJSONWPIKPGNBJ-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN CCCC1(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001209538332 1092813562 /nfs/dbraw/zinc/81/35/62/1092813562.db2.gz ZFLBQHONBDNYQF-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001209865000 1092954644 /nfs/dbraw/zinc/95/46/44/1092954644.db2.gz AEXRLDXKXDOPLV-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001210641675 1093239659 /nfs/dbraw/zinc/23/96/59/1093239659.db2.gz GCJHTNVVMQRINQ-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001211389163 1093477985 /nfs/dbraw/zinc/47/79/85/1093477985.db2.gz LBGDIASHYJEQON-FGTMMUONSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001211406383 1093485683 /nfs/dbraw/zinc/48/56/83/1093485683.db2.gz NYIYYQHGELQXFC-FGTMMUONSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001211438620 1093494269 /nfs/dbraw/zinc/49/42/69/1093494269.db2.gz UMPXSWPFWANIGD-IIDMSEBBSA-N 0 3 318.436 3.017 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)CCC)[C@H](OC)C1 ZINC001213363036 1093573150 /nfs/dbraw/zinc/57/31/50/1093573150.db2.gz XQTLYHGXJWOJKX-IAGOWNOFSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@](C)(C=C)CC)[C@H](OC)C1 ZINC001213390281 1093578670 /nfs/dbraw/zinc/57/86/70/1093578670.db2.gz WICUMKFVUQNOOW-LMMKCTJWSA-N 0 3 322.493 3.151 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@H](OC)C1 ZINC001213518194 1093602201 /nfs/dbraw/zinc/60/22/01/1093602201.db2.gz ZVHFJPOXLTYDEF-GVDBMIGSSA-N 0 3 312.498 3.064 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1OC ZINC001213776548 1093658805 /nfs/dbraw/zinc/65/88/05/1093658805.db2.gz BBMRVDZDOPUCON-QZTJIDSGSA-N 0 3 324.509 3.353 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](CCC)CC(C)C)[C@H](OC)C1 ZINC001213953551 1093686015 /nfs/dbraw/zinc/68/60/15/1093686015.db2.gz KIBUASNYNQFGJS-KZNAEPCWSA-N 0 3 324.509 3.230 20 30 DGEDHN C[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214063351 1093706655 /nfs/dbraw/zinc/70/66/55/1093706655.db2.gz IPGCESFMRMHTQP-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001214741276 1093844754 /nfs/dbraw/zinc/84/47/54/1093844754.db2.gz CYWUPJVFCWUMNG-CXAGYDPISA-N 0 3 322.399 3.258 20 30 DGEDHN N#Cc1cc(Nc2cccc(CN3CCCCC3)c2F)ccn1 ZINC001215676084 1094031219 /nfs/dbraw/zinc/03/12/19/1094031219.db2.gz OSUFADIZZZGGMV-UHFFFAOYSA-N 0 3 310.376 3.244 20 30 DGEDHN N#Cc1cc(Nc2ccc(CN3CCCCC3)c(F)c2)ccn1 ZINC001215709948 1094037127 /nfs/dbraw/zinc/03/71/27/1094037127.db2.gz JXROQVOXQZJEPD-UHFFFAOYSA-N 0 3 310.376 3.244 20 30 DGEDHN N#Cc1ccnnc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215711351 1094038437 /nfs/dbraw/zinc/03/84/37/1094038437.db2.gz PDNHSOLNXQDYCF-UHFFFAOYSA-N 0 3 311.364 3.217 20 30 DGEDHN C[C@@H]1CN(c2ccc(C#N)cn2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404292723 1094252952 /nfs/dbraw/zinc/25/29/52/1094252952.db2.gz BNMZSGYLLDJMOZ-BRWVUGGUSA-N 0 3 320.440 3.441 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001120372230 1094417068 /nfs/dbraw/zinc/41/70/68/1094417068.db2.gz BKBQLKWJZXQLSI-IAGOWNOFSA-N 0 3 322.880 3.101 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H](C)CCC)[C@H]2C1 ZINC001217573638 1094443762 /nfs/dbraw/zinc/44/37/62/1094443762.db2.gz VUYCDOODCWMCOL-FGTMMUONSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@H](C)CCC)[C@H]2C1 ZINC001217573110 1094443915 /nfs/dbraw/zinc/44/39/15/1094443915.db2.gz JYDJPQIUDATSTP-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OCc1ccc(CCc2ccccc2)cc1 ZINC001217830415 1094501623 /nfs/dbraw/zinc/50/16/23/1094501623.db2.gz FYLAJVGYYDMMGE-UXHICEINSA-N 0 3 306.409 3.100 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135358022 1094501664 /nfs/dbraw/zinc/50/16/64/1094501664.db2.gz LESNWIWIXRKGGE-CVEARBPZSA-N 0 3 313.445 3.287 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OCc1ccc(Sc2ccccc2)cc1 ZINC001217831904 1094502659 /nfs/dbraw/zinc/50/26/59/1094502659.db2.gz LOHRWBPTPBRBGO-CRAIPNDOSA-N 0 3 310.422 3.466 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OCCC(c1ccccc1)c1ccccc1 ZINC001217832780 1094502773 /nfs/dbraw/zinc/50/27/73/1094502773.db2.gz QDSVYRNDPLGTKZ-UYAOXDASSA-N 0 3 306.409 3.337 20 30 DGEDHN N#C[C@H]1CNC[C@@H]1OCc1ccc(Sc2ccccc2)cc1 ZINC001217831909 1094502792 /nfs/dbraw/zinc/50/27/92/1094502792.db2.gz LOHRWBPTPBRBGO-YJBOKZPZSA-N 0 3 310.422 3.466 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@H](C)NCc2ocnc2C)CC1 ZINC001135384112 1094509355 /nfs/dbraw/zinc/50/93/55/1094509355.db2.gz ZHMIFNUFEPTKNI-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NCc2cnc(C)o2)CC1 ZINC001135416915 1094528213 /nfs/dbraw/zinc/52/82/13/1094528213.db2.gz YAJLSRBYOWZKIF-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2oc(C)nc2C)C1 ZINC001135426891 1094534289 /nfs/dbraw/zinc/53/42/89/1094534289.db2.gz JEXRWPWQJVEVTM-OLZOCXBDSA-N 0 3 319.449 3.021 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2oc(C)nc2C)C1 ZINC001135426893 1094535054 /nfs/dbraw/zinc/53/50/54/1094535054.db2.gz JEXRWPWQJVEVTM-STQMWFEESA-N 0 3 319.449 3.021 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCC1CCC1)C2 ZINC001120920619 1094554411 /nfs/dbraw/zinc/55/44/11/1094554411.db2.gz WVOMOXKNVSKDHP-UHFFFAOYSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCO[C@@H]2CN(CCCCCC)C[C@@H]21 ZINC001218023158 1094565259 /nfs/dbraw/zinc/56/52/59/1094565259.db2.gz OPBMUCRGQCWXQN-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135560866 1094577418 /nfs/dbraw/zinc/57/74/18/1094577418.db2.gz MKENOFGUXYNBBX-OLZOCXBDSA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(F)F)C1 ZINC001103419601 1094622134 /nfs/dbraw/zinc/62/21/34/1094622134.db2.gz KEEYSHLPAXQIBY-ZYHUDNBSSA-N 0 3 322.827 3.104 20 30 DGEDHN C=C(CC(C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001135777813 1094668212 /nfs/dbraw/zinc/66/82/12/1094668212.db2.gz RWEJGTMSXQHKAY-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C2CC2)C2CC2)C1 ZINC001103627458 1094690539 /nfs/dbraw/zinc/69/05/39/1094690539.db2.gz SAYSAYYSWIMMHC-MLGOLLRUSA-N 0 3 324.896 3.249 20 30 DGEDHN CC(C)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC001336699857 1094701942 /nfs/dbraw/zinc/70/19/42/1094701942.db2.gz OEHVCIZDKNKNQK-LJQANCHMSA-N 0 3 322.412 3.269 20 30 DGEDHN C=C[C@H](CCCC)Oc1nc2onc(C)c2c2c1CNCC2 ZINC001218437147 1094774060 /nfs/dbraw/zinc/77/40/60/1094774060.db2.gz WCEBCTKCNHJLFN-GFCCVEGCSA-N 0 3 301.390 3.301 20 30 DGEDHN Cc1noc2nc(O[C@H](C)CC(C)(C)S)c3c(c12)CCNC3 ZINC001218438890 1094775639 /nfs/dbraw/zinc/77/56/39/1094775639.db2.gz NVLIZHHIUNCAGA-SECBINFHSA-N 0 3 321.446 3.043 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C ZINC001103861982 1094775682 /nfs/dbraw/zinc/77/56/82/1094775682.db2.gz XDGDINXEYGEURT-UKRRQHHQSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1C ZINC001103866472 1094777584 /nfs/dbraw/zinc/77/75/84/1094777584.db2.gz NREGLYKHGTZSAO-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC001121867922 1094800198 /nfs/dbraw/zinc/80/01/98/1094800198.db2.gz JGHCYUJYWPKPLY-AWEZNQCLSA-N 0 3 321.446 3.082 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC001121881643 1094810073 /nfs/dbraw/zinc/81/00/73/1094810073.db2.gz QCTVRSKUCSPBGU-RCBQFDQVSA-N 0 3 324.852 3.216 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1scnc1C ZINC001121916761 1094825640 /nfs/dbraw/zinc/82/56/40/1094825640.db2.gz JOBZSIBCJMMDRA-CQSZACIVSA-N 0 3 311.495 3.488 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC001337068961 1094839331 /nfs/dbraw/zinc/83/93/31/1094839331.db2.gz MMGZXZJBTZEQBG-LSDHHAIUSA-N 0 3 324.877 3.163 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1nc2c(cc(F)cc2OC)s1 ZINC001121948837 1094841240 /nfs/dbraw/zinc/84/12/40/1094841240.db2.gz YJELOVBYFBRYGJ-JTQLQIEISA-N 0 3 323.393 3.066 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC001121955264 1094842129 /nfs/dbraw/zinc/84/21/29/1094842129.db2.gz LDLQWOXXTYBRCR-HZPDHXFCSA-N 0 3 308.372 3.312 20 30 DGEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCCCC(C)C)[C@H]2C1 ZINC001218803826 1094869990 /nfs/dbraw/zinc/86/99/90/1094869990.db2.gz RJLGXMAIUXEQEM-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC001122106782 1094901344 /nfs/dbraw/zinc/90/13/44/1094901344.db2.gz UELUJVZKEPWREO-HNNXBMFYSA-N 0 3 310.800 3.002 20 30 DGEDHN CCc1ccc2ccccc2c1CNC(=O)[C@@H](N)CCCCC#N ZINC001122269625 1094940083 /nfs/dbraw/zinc/94/00/83/1094940083.db2.gz CNENJANHBHLNDS-IBGZPJMESA-N 0 3 323.440 3.430 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4cccc(Cl)c4C3)CCC2S1 ZINC001170931684 1094957525 /nfs/dbraw/zinc/95/75/25/1094957525.db2.gz RWNNATKLZWQQCP-CZUORRHYSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@@H]3CCc4cccc(Cl)c4C3)CC[C@H]2S1 ZINC001170931684 1094957538 /nfs/dbraw/zinc/95/75/38/1094957538.db2.gz RWNNATKLZWQQCP-CZUORRHYSA-N 0 3 319.857 3.471 20 30 DGEDHN N#Cc1ccc(-c2ccccc2NC(=O)[C@@H](N)CC(F)F)cc1 ZINC001219270395 1094957513 /nfs/dbraw/zinc/95/75/13/1094957513.db2.gz ICGNLDOXAWSWJC-AWEZNQCLSA-N 0 3 315.323 3.146 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCOC2(CCCC2)C1)c1nc2ccccc2[nH]1 ZINC001122482401 1094984579 /nfs/dbraw/zinc/98/45/79/1094984579.db2.gz KCRJUBUXKXPCFI-KGLIPLIRSA-N 0 3 323.396 3.479 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCOc1ccc(Cl)cc1 ZINC001122519095 1094996712 /nfs/dbraw/zinc/99/67/12/1094996712.db2.gz UOUCHAZFXLVVJW-CQSZACIVSA-N 0 3 317.776 3.109 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2(C=C)CCCCC2)C1 ZINC001111901382 1095009155 /nfs/dbraw/zinc/00/91/55/1095009155.db2.gz DVLVFYABBLXAEQ-PXNSSMCTSA-N 0 3 314.473 3.117 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC(C)(C)CC)C[C@H]1C(F)(F)F ZINC001112107377 1095034747 /nfs/dbraw/zinc/03/47/47/1095034747.db2.gz BIRIVLVLHJJRSP-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1C(F)(F)F ZINC001112186141 1095039838 /nfs/dbraw/zinc/03/98/38/1095039838.db2.gz VAHYHKLEJZQIJV-MGPQQGTHSA-N 0 3 320.399 3.224 20 30 DGEDHN N#CC(C(=O)c1cnn(C2CCCCC2)c1)c1cccc(F)n1 ZINC001122714315 1095043078 /nfs/dbraw/zinc/04/30/78/1095043078.db2.gz JETVKMYZJKUKOP-CQSZACIVSA-N 0 3 312.348 3.412 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)c1ccc(Cl)cc1 ZINC001115278771 1095160759 /nfs/dbraw/zinc/16/07/59/1095160759.db2.gz YALXHQZNUOHEIP-MWDXBVQZSA-N 0 3 318.848 3.066 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001123234430 1095197440 /nfs/dbraw/zinc/19/74/40/1095197440.db2.gz VDADNHSNWNDGIG-JHJVBQTASA-N 0 3 305.809 3.466 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC001221100858 1095201178 /nfs/dbraw/zinc/20/11/78/1095201178.db2.gz PZFAJLWOVMNFPV-WMZOPIPTSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2occc2C)CCCCC1 ZINC001115409324 1095210031 /nfs/dbraw/zinc/21/00/31/1095210031.db2.gz VTYMMRCUQBPFTC-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN CC(C)C(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115412236 1095210992 /nfs/dbraw/zinc/21/09/92/1095210992.db2.gz VAXKAQWTGWKIMO-UHFFFAOYSA-N 0 3 312.457 3.103 20 30 DGEDHN C/C=C(/C)C(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115473324 1095239554 /nfs/dbraw/zinc/23/95/54/1095239554.db2.gz VGNYRBMLSUTMFJ-ZUWFHJRGSA-N 0 3 324.468 3.413 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001123336815 1095245353 /nfs/dbraw/zinc/24/53/53/1095245353.db2.gz LFGYRKYGTZDACO-BBWFWOEESA-N 0 3 307.397 3.500 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CCN(Cc3cc(C)ccc3C)C[C@H]21 ZINC001221423790 1095260778 /nfs/dbraw/zinc/26/07/78/1095260778.db2.gz RMRZQLCAYHTLBK-IEBWSBKVSA-N 0 3 312.457 3.302 20 30 DGEDHN CCC/C=C/CCN1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221536155 1095296858 /nfs/dbraw/zinc/29/68/58/1095296858.db2.gz AFBBHDNUXYGJAF-HNGSOEQISA-N 0 3 316.489 3.315 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001221582430 1095306689 /nfs/dbraw/zinc/30/66/89/1095306689.db2.gz QSKNCKKZLZNSSZ-RTBURBONSA-N 0 3 312.457 3.384 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221754271 1095344835 /nfs/dbraw/zinc/34/48/35/1095344835.db2.gz GPKFWFBOEQFDIP-WOJBJXKFSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCc3ccccc3)[C@@H]2C1 ZINC001221786360 1095354889 /nfs/dbraw/zinc/35/48/89/1095354889.db2.gz SDSXDYFZQJNTFD-RTBURBONSA-N 0 3 312.457 3.118 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CC23CCC3)CCCCC1 ZINC001115751422 1095368533 /nfs/dbraw/zinc/36/85/33/1095368533.db2.gz ZLILJHLSHLUFMM-CQSZACIVSA-N 0 3 310.869 3.338 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC001221887878 1095382862 /nfs/dbraw/zinc/38/28/62/1095382862.db2.gz HICWERKFVVHTSI-HUUCEWRRSA-N 0 3 321.490 3.260 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001221952711 1095397503 /nfs/dbraw/zinc/39/75/03/1095397503.db2.gz MATVTGQLMBXVHJ-BFHYXJOUSA-N 0 3 318.383 3.074 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21)c1ccccc1 ZINC001222037840 1095413299 /nfs/dbraw/zinc/41/32/99/1095413299.db2.gz DENSOZMWNCERJC-DFQSSKMNSA-N 0 3 324.468 3.455 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)CCCCC)[C@@H]2C1 ZINC001222038114 1095414168 /nfs/dbraw/zinc/41/41/68/1095414168.db2.gz MTXLTUVLLQRDNP-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cccc(O)c1C)C2 ZINC001144116923 1095515874 /nfs/dbraw/zinc/51/58/74/1095515874.db2.gz OQPATVKOUZOBEU-PKOBYXMFSA-N 0 3 317.429 3.027 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(-n4cccc4)cc3)CCC2S1 ZINC001144238977 1095566593 /nfs/dbraw/zinc/56/65/93/1095566593.db2.gz KYEAKJUHRZPDNV-KRWDZBQOSA-N 0 3 310.422 3.251 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001091038641 1095589311 /nfs/dbraw/zinc/58/93/11/1095589311.db2.gz BPHOHLGLWCXWFW-OOJKYFRXSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C[C@H](CC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001124441409 1095593283 /nfs/dbraw/zinc/59/32/83/1095593283.db2.gz RSQWJKUTFIYODU-MRXNPFEDSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2sccc2Cl)C1 ZINC001091043420 1095601747 /nfs/dbraw/zinc/60/17/47/1095601747.db2.gz AIZAWPNDRZMNQN-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1cc(F)ccc1[O-] ZINC001116568986 1095603780 /nfs/dbraw/zinc/60/37/80/1095603780.db2.gz XMJGHNZFMLVLGJ-LBPRGKRZSA-N 0 3 300.333 3.284 20 30 DGEDHN C[S@](=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC001116819816 1095669252 /nfs/dbraw/zinc/66/92/52/1095669252.db2.gz KICGTUZBYHEYQS-GCJKJVERSA-N 0 3 310.422 3.073 20 30 DGEDHN C=CCCC(=O)NCC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001222609396 1095692320 /nfs/dbraw/zinc/69/23/20/1095692320.db2.gz JQRTUWIJYYOSCS-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@H](Oc3ccc(OC)cn3)C2)cc1 ZINC001144581326 1095717555 /nfs/dbraw/zinc/71/75/55/1095717555.db2.gz QAMJPHJCRATCRR-IBGZPJMESA-N 0 3 322.408 3.115 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)cc1 ZINC001144568078 1095718924 /nfs/dbraw/zinc/71/89/24/1095718924.db2.gz KGDXGNKAIGNMSJ-BBRMVZONSA-N 0 3 311.347 3.193 20 30 DGEDHN N#Cc1cccnc1CO[C@H]1CCCN(Cc2ccccc2)C1 ZINC001222742814 1095738939 /nfs/dbraw/zinc/73/89/39/1095738939.db2.gz VBQOCYSUJRBIEP-SFHVURJKSA-N 0 3 307.397 3.134 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@@H]21 ZINC001222746266 1095739200 /nfs/dbraw/zinc/73/92/00/1095739200.db2.gz RAPOLGYEWUUFFJ-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCc1csc2ccccc12 ZINC001339844392 1095755174 /nfs/dbraw/zinc/75/51/74/1095755174.db2.gz BPOSWRQXBBJQKS-OAHLLOKOSA-N 0 3 302.443 3.244 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1OC ZINC001339907454 1095774514 /nfs/dbraw/zinc/77/45/14/1095774514.db2.gz CHTOQEMOHNDUSG-HZPDHXFCSA-N 0 3 302.418 3.042 20 30 DGEDHN C#Cc1cccc(CNCc2cnc(C)n2-c2ccccc2)c1 ZINC001202813246 1095794553 /nfs/dbraw/zinc/79/45/53/1095794553.db2.gz SDBZHWJWYLLKRT-UHFFFAOYSA-N 0 3 301.393 3.452 20 30 DGEDHN CCCCCCC[C@@H](C)CNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001339996110 1095805157 /nfs/dbraw/zinc/80/51/57/1095805157.db2.gz NRCJTWNUNOTJJZ-HUUCEWRRSA-N 0 3 320.481 3.403 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC001171221202 1095813517 /nfs/dbraw/zinc/81/35/17/1095813517.db2.gz IVIZCKDJSQFMGG-LAUBAEHRSA-N 0 3 319.452 3.478 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC001340014703 1095814994 /nfs/dbraw/zinc/81/49/94/1095814994.db2.gz YURWOHKGOVIHJV-JTQLQIEISA-N 0 3 311.357 3.197 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(Cl)cc2)C1 ZINC001091338095 1095906650 /nfs/dbraw/zinc/90/66/50/1095906650.db2.gz PCQPBKBCVZFNDT-UHFFFAOYSA-N 0 3 313.228 3.191 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001276875266 1095908908 /nfs/dbraw/zinc/90/89/08/1095908908.db2.gz KPSMJONNUMTDQZ-CYBMUJFWSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2sccc2C2CC2)C1 ZINC001091353001 1095910961 /nfs/dbraw/zinc/91/09/61/1095910961.db2.gz PSIUXIMCJQKLSD-UHFFFAOYSA-N 0 3 324.877 3.476 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3ccccc3o2)C1 ZINC001091352571 1095911466 /nfs/dbraw/zinc/91/14/66/1095911466.db2.gz BPVIIJCAODUXLT-UHFFFAOYSA-N 0 3 318.804 3.283 20 30 DGEDHN Cc1cc(Cl)cc(C)c1NC(=N)c1ccc(C(N)=O)cc1 ZINC001171256127 1095939506 /nfs/dbraw/zinc/93/95/06/1095939506.db2.gz FUGNMEAMYXKNTH-UHFFFAOYSA-N 0 3 301.777 3.093 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001340506757 1095966409 /nfs/dbraw/zinc/96/64/09/1095966409.db2.gz AZPUHQOBXLXIPL-MRXNPFEDSA-N 0 3 300.402 3.218 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C[C@@H](C)CCC)C[C@]2(C)C1 ZINC001276893602 1095981547 /nfs/dbraw/zinc/98/15/47/1095981547.db2.gz JUMCKJVQCOLKLD-YTQUADARSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC/C=C/c3ccccc3)C[C@@H]21 ZINC001223500415 1095986094 /nfs/dbraw/zinc/98/60/94/1095986094.db2.gz SJJLIRSDQYISPQ-XGRQOQASSA-N 0 3 322.452 3.036 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2(C)CCCCCC2)CC1 ZINC001223504149 1095986495 /nfs/dbraw/zinc/98/64/95/1095986495.db2.gz KOSRAPKNKBWYFR-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC001223610867 1096014298 /nfs/dbraw/zinc/01/42/98/1096014298.db2.gz LKGUCYGAYNAWOY-HKUYNNGSSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224165795 1096150175 /nfs/dbraw/zinc/15/01/75/1096150175.db2.gz SXRPDJSQFFWGJK-OLZOCXBDSA-N 0 3 320.399 3.225 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001224198011 1096159985 /nfs/dbraw/zinc/15/99/85/1096159985.db2.gz JPJWFJYYFIYUJW-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(CO[C@H]1CC[C@@H](N2CCOCC2)CC1)c1ccccc1 ZINC001224738610 1096275497 /nfs/dbraw/zinc/27/54/97/1096275497.db2.gz JQGZYEATMTXADH-KDURUIRLSA-N 0 3 301.430 3.360 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001224824999 1096293872 /nfs/dbraw/zinc/29/38/72/1096293872.db2.gz FBJZHNJWWFAEJT-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001224872069 1096304634 /nfs/dbraw/zinc/30/46/34/1096304634.db2.gz KWSFSNJELYKOJE-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)CCC=C(C)C)C2)C1 ZINC001148320819 1096349797 /nfs/dbraw/zinc/34/97/97/1096349797.db2.gz JHRAAWGABIFGLZ-KRWDZBQOSA-N 0 3 304.478 3.479 20 30 DGEDHN C#CCN1CCC(CNC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC001225149628 1096353485 /nfs/dbraw/zinc/35/34/85/1096353485.db2.gz PHPBPDBOKFVOKE-GOSISDBHSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225275861 1096381621 /nfs/dbraw/zinc/38/16/21/1096381621.db2.gz TUCVWJIKVUZFLE-RTBURBONSA-N 0 3 310.441 3.021 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CCCCC)C(C)C)C2)C1 ZINC001148568539 1096399823 /nfs/dbraw/zinc/39/98/23/1096399823.db2.gz SYFOQWKVCSKZIB-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ncccc1C#N ZINC001225406487 1096420174 /nfs/dbraw/zinc/42/01/74/1096420174.db2.gz ZOCDCSKRZBCKBC-YJBOKZPZSA-N 0 3 307.397 3.243 20 30 DGEDHN Cc1cc(=O)c(C#N)c(O[C@@H](CCN(C)C)c2cccs2)[nH]1 ZINC001225467238 1096439747 /nfs/dbraw/zinc/43/97/47/1096439747.db2.gz NYBDOPUQBWZTFK-AWEZNQCLSA-N 0 3 317.414 3.101 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](CCCC)C(C)C)C2)C1 ZINC001148851692 1096457856 /nfs/dbraw/zinc/45/78/56/1096457856.db2.gz UKQRHBSQPSAZKO-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN O=C(/C=C\C1CC1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225560806 1096467054 /nfs/dbraw/zinc/46/70/54/1096467054.db2.gz VKIWQBGMBOBQSC-HJPMFFMGSA-N 0 3 322.452 3.021 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccoc2CCC)C1 ZINC001086853306 1096486719 /nfs/dbraw/zinc/48/67/19/1096486719.db2.gz RWHSTEVZQAVOKX-UONOGXRCSA-N 0 3 324.852 3.473 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccsc3)C2)CC1 ZINC001086901235 1096500028 /nfs/dbraw/zinc/50/00/28/1096500028.db2.gz AJILRDPNQABMFA-OAHLLOKOSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3CCCCC3)C2)CC1 ZINC001086900949 1096500313 /nfs/dbraw/zinc/50/03/13/1096500313.db2.gz WHPDDCGANXBXIA-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC=CCC3)C2)CC1 ZINC001086902446 1096501544 /nfs/dbraw/zinc/50/15/44/1096501544.db2.gz FJMOTMXYTVBTIE-MSOLQXFVSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C(\C)C3CC3)C2)CC1 ZINC001086905694 1096503101 /nfs/dbraw/zinc/50/31/01/1096503101.db2.gz FSTABECUKDBKIN-HJUDDPQBSA-N 0 3 314.473 3.069 20 30 DGEDHN CC1(C)C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225682257 1096504216 /nfs/dbraw/zinc/50/42/16/1096504216.db2.gz OWKHESFWIAXDCJ-IPMKNSEASA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC3(C)C)C2)CC1 ZINC001086937527 1096514395 /nfs/dbraw/zinc/51/43/95/1096514395.db2.gz RIYVXGZKXZKKMQ-IRXDYDNUSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccccc3CC)C2)CC1 ZINC001086940741 1096515054 /nfs/dbraw/zinc/51/50/54/1096515054.db2.gz YTUFCSBLYPWWCD-KRWDZBQOSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(C)c(C)c3)C2)CC1 ZINC001086955188 1096522843 /nfs/dbraw/zinc/52/28/43/1096522843.db2.gz GMCWFPZQRKFKID-SFHVURJKSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cccc(C)c3C)C2)CC1 ZINC001086955452 1096522990 /nfs/dbraw/zinc/52/29/90/1096522990.db2.gz NSKVLJOIIPTRGQ-QGZVFWFLSA-N 0 3 324.468 3.253 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)C3CC3)C2)CC1 ZINC001086958348 1096524461 /nfs/dbraw/zinc/52/44/61/1096524461.db2.gz NPVKCGPQLLREAC-IAGOWNOFSA-N 0 3 316.489 3.149 20 30 DGEDHN N#Cc1ccc(Br)cc1OC1CCN(C2CC2)CC1 ZINC001225785995 1096529480 /nfs/dbraw/zinc/52/94/80/1096529480.db2.gz HJKWGEFEUZENJW-UHFFFAOYSA-N 0 3 321.218 3.326 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)Nc1ccc2c(n1)CNCC2 ZINC001171372533 1096556093 /nfs/dbraw/zinc/55/60/93/1096556093.db2.gz KEFBRKDFOKDMEU-AWEZNQCLSA-N 0 3 309.413 3.465 20 30 DGEDHN C=CCCCCCCCN1CCc2nc(C(N)=O)ccc2C1 ZINC001277167275 1096820425 /nfs/dbraw/zinc/82/04/25/1096820425.db2.gz OWRJCESEYRHJII-UHFFFAOYSA-N 0 3 301.434 3.065 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)c1ccccc1)C2 ZINC001110160202 1096868043 /nfs/dbraw/zinc/86/80/43/1096868043.db2.gz DTTLEYRHVGROAQ-QYZOEREBSA-N 0 3 324.468 3.099 20 30 DGEDHN C[C@@H]1C[C@H](NCc2ccccc2C#N)CN1Cc1ccccc1 ZINC001171724815 1096954347 /nfs/dbraw/zinc/95/43/47/1096954347.db2.gz BOJZIRQNWVPNBY-UZLBHIALSA-N 0 3 305.425 3.311 20 30 DGEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001277224557 1096959509 /nfs/dbraw/zinc/95/95/09/1096959509.db2.gz KBGDBEYGYNPVNY-DAYGRLMNSA-N 0 3 318.465 3.022 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001277233407 1096973545 /nfs/dbraw/zinc/97/35/45/1096973545.db2.gz NRBGTJYPDFUWBG-KRWDZBQOSA-N 0 3 304.478 3.457 20 30 DGEDHN CCCCCCCCCN1CC[C@H]2C[C@]21C(=O)N(C)CCOC ZINC001277234309 1096976003 /nfs/dbraw/zinc/97/60/03/1096976003.db2.gz XLLVGNOCSKUFCO-PKOBYXMFSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCN1CCN([C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171968312 1097011958 /nfs/dbraw/zinc/01/19/58/1097011958.db2.gz LDZZYDRZBHKCPJ-AWEZNQCLSA-N 0 3 312.379 3.440 20 30 DGEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](N1CC(CC#N)C1)C2 ZINC001172092665 1097041535 /nfs/dbraw/zinc/04/15/35/1097041535.db2.gz QLKKUPKHNIHIHL-ZSHCYNCHSA-N 0 3 319.449 3.152 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc[nH]c1C(C)C ZINC001277273675 1097068498 /nfs/dbraw/zinc/06/84/98/1097068498.db2.gz YRHCRIMQOJXHNN-CYBMUJFWSA-N 0 3 311.857 3.379 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2cccc(F)c2)CC1 ZINC001172312737 1097098476 /nfs/dbraw/zinc/09/84/76/1097098476.db2.gz IQVWTFWDVANAEM-MRXNPFEDSA-N 0 3 323.415 3.451 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001228413710 1097116856 /nfs/dbraw/zinc/11/68/56/1097116856.db2.gz QAKHIBNLDLKBDO-JFIYKMOQSA-N 0 3 319.449 3.102 20 30 DGEDHN CC[C@@H](C)OCC[C@H](C)N1CCN(c2cccc(C#N)c2)CC1 ZINC001172346713 1097120131 /nfs/dbraw/zinc/12/01/31/1097120131.db2.gz KCOLNKQDZJLQAL-DLBZAZTESA-N 0 3 315.461 3.274 20 30 DGEDHN CC[C@H](C)OCC[C@H](C)N1CCN(c2cccc(C#N)c2)CC1 ZINC001172346717 1097120237 /nfs/dbraw/zinc/12/02/37/1097120237.db2.gz KCOLNKQDZJLQAL-IRXDYDNUSA-N 0 3 315.461 3.274 20 30 DGEDHN CC[C@@H](C)OCC[C@@H](C)N1CCN(c2cccc(C#N)c2)CC1 ZINC001172346716 1097120324 /nfs/dbraw/zinc/12/03/24/1097120324.db2.gz KCOLNKQDZJLQAL-IAGOWNOFSA-N 0 3 315.461 3.274 20 30 DGEDHN C[C@H](CCCC#N)NCC(=O)c1ccc(Br)cc1 ZINC001172477151 1097148832 /nfs/dbraw/zinc/14/88/32/1097148832.db2.gz WFDXUABESCZAJW-LLVKDONJSA-N 0 3 309.207 3.304 20 30 DGEDHN C[C@@H](CCCC#N)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172491752 1097167973 /nfs/dbraw/zinc/16/79/73/1097167973.db2.gz HFBMVHACXMEYHX-SOUVJXGZSA-N 0 3 309.454 3.398 20 30 DGEDHN C[C@H](CCCC#N)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172491734 1097168024 /nfs/dbraw/zinc/16/80/24/1097168024.db2.gz HFBMVHACXMEYHX-KFWWJZLASA-N 0 3 309.454 3.398 20 30 DGEDHN CC#CCCCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001228716912 1097175731 /nfs/dbraw/zinc/17/57/31/1097175731.db2.gz AJXXIDZBWAXMNH-XFXZXTDPSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228748610 1097182166 /nfs/dbraw/zinc/18/21/66/1097182166.db2.gz MPDAJVZSXPSYIR-DLBZAZTESA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001277332869 1097197511 /nfs/dbraw/zinc/19/75/11/1097197511.db2.gz QJXCGESJKPSWOL-KURKYZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1sc(C)nc1C)C2 ZINC001206166565 1097198791 /nfs/dbraw/zinc/19/87/91/1097198791.db2.gz VPWCKNLGOSKAGF-RDJZCZTQSA-N 0 3 322.474 3.086 20 30 DGEDHN C=CCc1ccccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001228846887 1097202160 /nfs/dbraw/zinc/20/21/60/1097202160.db2.gz OSXHPUZJOVRFGN-HDICACEKSA-N 0 3 301.430 3.437 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1nc(C)c(C)s1 ZINC001277364126 1097275288 /nfs/dbraw/zinc/27/52/88/1097275288.db2.gz ZSZRPZDPPXYMGB-SNVBAGLBSA-N 0 3 315.870 3.001 20 30 DGEDHN N#Cc1ccc(Br)c(OC2CCN(C3CC3)CC2)c1 ZINC001229229994 1097280052 /nfs/dbraw/zinc/28/00/52/1097280052.db2.gz MLIIQLUOGISSDX-UHFFFAOYSA-N 0 3 321.218 3.326 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c(C)cccc1F ZINC001277372661 1097287832 /nfs/dbraw/zinc/28/78/32/1097287832.db2.gz LJGITVSRTZCSTL-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)NC1(CC#N)CCCC1 ZINC001172964092 1097292876 /nfs/dbraw/zinc/29/28/76/1097292876.db2.gz MRYFWFLKCPDXTD-CQSZACIVSA-N 0 3 309.454 3.448 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001229329471 1097297378 /nfs/dbraw/zinc/29/73/78/1097297378.db2.gz BQLSIEVRYRNZFC-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@@H]1CC[C@H](N2CCC[C@@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173066452 1097316488 /nfs/dbraw/zinc/31/64/88/1097316488.db2.gz QEOZXEXYDLTKAA-OAGGEKHMSA-N 0 3 321.465 3.400 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229582430 1097349136 /nfs/dbraw/zinc/34/91/36/1097349136.db2.gz ALQDQNMEIBGFRA-HOTGVXAUSA-N 0 3 324.509 3.088 20 30 DGEDHN N#Cc1cnc(CNC2CCC(Oc3ccccc3)CC2)s1 ZINC001173199081 1097359368 /nfs/dbraw/zinc/35/93/68/1097359368.db2.gz RLASXZKQHJWMAM-UHFFFAOYSA-N 0 3 313.426 3.495 20 30 DGEDHN C=CCOC1CCC(N[C@@H]2c3cc(C)ccc3NC2=O)CC1 ZINC001173309537 1097408003 /nfs/dbraw/zinc/40/80/03/1097408003.db2.gz XAUFURGJHKPGTM-MQBCKMQZSA-N 0 3 300.402 3.092 20 30 DGEDHN N#CCC1CCC(NCc2ccn(Cc3ccccc3)n2)CC1 ZINC001173328657 1097418818 /nfs/dbraw/zinc/41/88/18/1097418818.db2.gz ISJWODFOCJFQLR-UHFFFAOYSA-N 0 3 308.429 3.493 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001230384258 1097484264 /nfs/dbraw/zinc/48/42/64/1097484264.db2.gz BQBNFPVZRRLBSW-SFHVURJKSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@@H]1CC(NCC2(C#N)CCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173672595 1097486894 /nfs/dbraw/zinc/48/68/94/1097486894.db2.gz QEBLOICINSXRNH-ZIAGYGMSSA-N 0 3 321.465 3.446 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@H](C)CC)Cc1cccnc1 ZINC001230675427 1097552252 /nfs/dbraw/zinc/55/22/52/1097552252.db2.gz PZDCSMOJPRYIGN-MRXNPFEDSA-N 0 3 303.450 3.012 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)on1 ZINC001230681521 1097555621 /nfs/dbraw/zinc/55/56/21/1097555621.db2.gz IJEIQKHLNZWGGV-OAHLLOKOSA-N 0 3 307.438 3.100 20 30 DGEDHN COC(=O)c1cc(C#N)ccc1Nc1ccccc1CN(C)C ZINC001173931582 1097557229 /nfs/dbraw/zinc/55/72/29/1097557229.db2.gz HRNJUZTVZAIGLY-UHFFFAOYSA-N 0 3 309.369 3.150 20 30 DGEDHN C=C(C)CN(CCCNC(=O)/C(C)=C/CC)Cc1cccnc1 ZINC001230699778 1097558629 /nfs/dbraw/zinc/55/86/29/1097558629.db2.gz KTBJITYLCJUBLD-CAOOACKPSA-N 0 3 315.461 3.322 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@H](C)CCC)Cc1cccnc1 ZINC001230714088 1097563440 /nfs/dbraw/zinc/56/34/40/1097563440.db2.gz VGQZHPJRLNLRRW-QGZVFWFLSA-N 0 3 317.477 3.402 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@@H](C)CCC)Cc1cccnc1 ZINC001230714087 1097563706 /nfs/dbraw/zinc/56/37/06/1097563706.db2.gz VGQZHPJRLNLRRW-KRWDZBQOSA-N 0 3 317.477 3.402 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C1CC(C)C1)Cc1cccnc1 ZINC001230731769 1097569437 /nfs/dbraw/zinc/56/94/37/1097569437.db2.gz MCCZPTPHDZKXBU-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C[C@H](C)CC)Cc1cccnc1 ZINC001230745763 1097571547 /nfs/dbraw/zinc/57/15/47/1097571547.db2.gz MKKMQQZNRMBQLP-QGZVFWFLSA-N 0 3 317.477 3.402 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230859598 1097607304 /nfs/dbraw/zinc/60/73/04/1097607304.db2.gz GONVGSKIMGUCQX-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@H](C)C(C)C)Cc1cccnc1 ZINC001230861354 1097608791 /nfs/dbraw/zinc/60/87/91/1097608791.db2.gz IMLMXUQDYXQFTI-QGZVFWFLSA-N 0 3 317.477 3.258 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231084440 1097664711 /nfs/dbraw/zinc/66/47/11/1097664711.db2.gz BBOUZVYVNFVUJU-FUHWJXTLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001231094444 1097667022 /nfs/dbraw/zinc/66/70/22/1097667022.db2.gz GRNZYTBQYCSXNV-IRXDYDNUSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCc1ccc(C)cc1 ZINC001231169770 1097686907 /nfs/dbraw/zinc/68/69/07/1097686907.db2.gz KBLMNIAECHQYNF-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCc1ccccc1C ZINC001231177064 1097689035 /nfs/dbraw/zinc/68/90/35/1097689035.db2.gz BXADCUCDNDZAAH-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC[C@H]1CCCC1(F)F ZINC001231178393 1097689973 /nfs/dbraw/zinc/68/99/73/1097689973.db2.gz KQRYJBWHKCGNCD-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)COCCCC ZINC001231379215 1097734144 /nfs/dbraw/zinc/73/41/44/1097734144.db2.gz XSCSPIKEDZNGRI-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC(Cc2ccncc2)CC1 ZINC001231621172 1097792656 /nfs/dbraw/zinc/79/26/56/1097792656.db2.gz UNVANVICVPERRJ-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@H](C(=O)OC)CC2)c1 ZINC001231624201 1097795051 /nfs/dbraw/zinc/79/50/51/1097795051.db2.gz CDXPNRMNMMZPCM-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001174849169 1097867928 /nfs/dbraw/zinc/86/79/28/1097867928.db2.gz KGIURFPOMAIZRH-GJZGRUSLSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001174979350 1097914792 /nfs/dbraw/zinc/91/47/92/1097914792.db2.gz XSVJIGCQIQKJBY-CQSZACIVSA-N 0 3 307.438 3.104 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1nccn1CC ZINC001174987907 1097918230 /nfs/dbraw/zinc/91/82/30/1097918230.db2.gz SAVVFCUOEIYJDO-INIZCTEOSA-N 0 3 320.481 3.024 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCCNCc2cc(C)no2)C1 ZINC001175150437 1097946772 /nfs/dbraw/zinc/94/67/72/1097946772.db2.gz NUOMIUNCFIQDHA-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN CC(=O)Nc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001232187014 1097958830 /nfs/dbraw/zinc/95/88/30/1097958830.db2.gz ZMIPVKPRXPVCMS-UHFFFAOYSA-N 0 3 307.397 3.457 20 30 DGEDHN CCCCCCC(=O)NCCCNCc1ccccc1C#N ZINC001175195591 1097962655 /nfs/dbraw/zinc/96/26/55/1097962655.db2.gz ZERDEAFXKVZIGZ-UHFFFAOYSA-N 0 3 301.434 3.125 20 30 DGEDHN C#CCN(C)Cc1ccc(Br)c2ccc(OC)nc12 ZINC001232648961 1098106358 /nfs/dbraw/zinc/10/63/58/1098106358.db2.gz JUHQPGXQBSLZMG-UHFFFAOYSA-N 0 3 319.202 3.071 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2csc(CC)n2)C[C@H]1C ZINC001277720662 1098144904 /nfs/dbraw/zinc/14/49/04/1098144904.db2.gz BEJLEJZTZBPZFH-KGLIPLIRSA-N 0 3 321.490 3.141 20 30 DGEDHN COc1ccc(CCN(C)Cc2ccc(C#N)s2)cc1OC ZINC001232842226 1098150304 /nfs/dbraw/zinc/15/03/04/1098150304.db2.gz PDLJXENTNDWRIT-UHFFFAOYSA-N 0 3 316.426 3.311 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)s1 ZINC001232844717 1098151725 /nfs/dbraw/zinc/15/17/25/1098151725.db2.gz ALIUQFXKTLMMQI-HUUCEWRRSA-N 0 3 309.438 3.188 20 30 DGEDHN C=CCCCN1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001175862137 1098194502 /nfs/dbraw/zinc/19/45/02/1098194502.db2.gz URVCHDWEBJOZDX-YJBOKZPZSA-N 0 3 324.465 3.053 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cnc(C)cc1C)C2 ZINC001233007728 1098200858 /nfs/dbraw/zinc/20/08/58/1098200858.db2.gz ZZRFEXNNRAGDQF-RBUKOAKNSA-N 0 3 316.445 3.025 20 30 DGEDHN CN(C)c1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1C#N ZINC001233098776 1098225996 /nfs/dbraw/zinc/22/59/96/1098225996.db2.gz NKJNURFHLNRKEK-KGLIPLIRSA-N 0 3 301.409 3.385 20 30 DGEDHN N#CCC1CCN(Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001233227242 1098257062 /nfs/dbraw/zinc/25/70/62/1098257062.db2.gz BYRIXWIFGDEKOK-UHFFFAOYSA-N 0 3 300.402 3.307 20 30 DGEDHN COC(=O)/C=C/c1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC001233299758 1098281246 /nfs/dbraw/zinc/28/12/46/1098281246.db2.gz MYTVOKLCXNSVDF-ZHACJKMWSA-N 0 3 320.392 3.376 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001233531502 1098367145 /nfs/dbraw/zinc/36/71/45/1098367145.db2.gz ZXUCFQBYYBLCRL-OAHLLOKOSA-N 0 3 314.420 3.311 20 30 DGEDHN CC(C)CCC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001233694893 1098410486 /nfs/dbraw/zinc/41/04/86/1098410486.db2.gz AIVBPVYCTXIUQU-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CCCCCC=C ZINC001233762019 1098424972 /nfs/dbraw/zinc/42/49/72/1098424972.db2.gz OYHPULCMBHMDRY-SFHVURJKSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001233762633 1098424987 /nfs/dbraw/zinc/42/49/87/1098424987.db2.gz UEFVMZSFCHGFKT-UYAOXDASSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001233762632 1098425240 /nfs/dbraw/zinc/42/52/40/1098425240.db2.gz UEFVMZSFCHGFKT-QUCCMNQESA-N 0 3 324.468 3.400 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001176800200 1098444017 /nfs/dbraw/zinc/44/40/17/1098444017.db2.gz SYBQUYWQSLFCNT-INIZCTEOSA-N 0 3 320.864 3.345 20 30 DGEDHN CCCCCCCCCC(=O)NC[C@@H]1CN(CC)CCCO1 ZINC001150641036 1098460862 /nfs/dbraw/zinc/46/08/62/1098460862.db2.gz UQLRFGKKNAXZCM-QGZVFWFLSA-N 0 3 312.498 3.354 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001233948562 1098465028 /nfs/dbraw/zinc/46/50/28/1098465028.db2.gz YCVGUMQRXUMOLK-UYAOXDASSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1c(C)cccc1C ZINC001233957129 1098466561 /nfs/dbraw/zinc/46/65/61/1098466561.db2.gz JAXNFQKLBFMZJY-GOSISDBHSA-N 0 3 312.457 3.140 20 30 DGEDHN CCCCCC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001233977915 1098470042 /nfs/dbraw/zinc/47/00/42/1098470042.db2.gz JWZDIHSMXHPHJN-UHFFFAOYSA-N 0 3 319.424 3.216 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccoc1CC ZINC001233990005 1098472550 /nfs/dbraw/zinc/47/25/50/1098472550.db2.gz GPJFOGNJMMWTBN-CABCVRRESA-N 0 3 304.434 3.343 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001233990011 1098472733 /nfs/dbraw/zinc/47/27/33/1098472733.db2.gz GPJFOGNJMMWTBN-LSDHHAIUSA-N 0 3 304.434 3.343 20 30 DGEDHN CCN1CCC[C@H](Oc2c(C)cc(Br)cc2C#N)C1 ZINC001234014743 1098477506 /nfs/dbraw/zinc/47/75/06/1098477506.db2.gz VRRLROYNGPOYSZ-AWEZNQCLSA-N 0 3 323.234 3.492 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)CCCc1ccccc1 ZINC001177136294 1098482057 /nfs/dbraw/zinc/48/20/57/1098482057.db2.gz LIKUGCRIIGESSV-HNNXBMFYSA-N 0 3 322.880 3.494 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234131815 1098501699 /nfs/dbraw/zinc/50/16/99/1098501699.db2.gz SPXIEMGLWRDJCA-MOPGFXCFSA-N 0 3 312.457 3.330 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CC/C=C\c1ccccc1 ZINC001234159876 1098507507 /nfs/dbraw/zinc/50/75/07/1098507507.db2.gz CHJQPUJUSXCAHH-QRGKHIHXSA-N 0 3 324.468 3.282 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001234169449 1098509116 /nfs/dbraw/zinc/50/91/16/1098509116.db2.gz FQYPAGMMQWBDOV-AZUAARDMSA-N 0 3 324.468 3.256 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001234169450 1098509294 /nfs/dbraw/zinc/50/92/94/1098509294.db2.gz FQYPAGMMQWBDOV-ICSRJNTNSA-N 0 3 324.468 3.256 20 30 DGEDHN CN(C[C@@H]1CCN1[C@@H]1CCCc2ccccc21)C(=O)C#CC1CC1 ZINC001234195953 1098511706 /nfs/dbraw/zinc/51/17/06/1098511706.db2.gz OOHSTSKICWYQPH-AZUAARDMSA-N 0 3 322.452 3.010 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC1(COC)CC1 ZINC001234187301 1098512199 /nfs/dbraw/zinc/51/21/99/1098512199.db2.gz WULDFLANNNAOBH-QGZVFWFLSA-N 0 3 324.509 3.306 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)CCCF ZINC001177384781 1098524390 /nfs/dbraw/zinc/52/43/90/1098524390.db2.gz QPCUXBOZJVINTJ-UHFFFAOYSA-N 0 3 318.864 3.487 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](OCC)C1=CCCC1 ZINC001234322148 1098537009 /nfs/dbraw/zinc/53/70/09/1098537009.db2.gz FYEDOKQCZPBOAT-ROUUACIJSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234386437 1098545694 /nfs/dbraw/zinc/54/56/94/1098545694.db2.gz YZCRIQKQDIFYRO-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234386439 1098546622 /nfs/dbraw/zinc/54/66/22/1098546622.db2.gz YZCRIQKQDIFYRO-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](OC(C)C)c1ccccc1 ZINC001177662795 1098573013 /nfs/dbraw/zinc/57/30/13/1098573013.db2.gz DZGFCIXCNAUWAH-MRXNPFEDSA-N 0 3 324.852 3.001 20 30 DGEDHN C=C(Cl)C[NH2+]CCCCCCNC(=O)c1ccccc1[O-] ZINC001177906792 1098643921 /nfs/dbraw/zinc/64/39/21/1098643921.db2.gz LHLFBGCFKAWLTG-UHFFFAOYSA-N 0 3 310.825 3.025 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1scnc1C1CC1 ZINC001177909288 1098645066 /nfs/dbraw/zinc/64/50/66/1098645066.db2.gz SQVXLSBDLFLULV-JTQLQIEISA-N 0 3 303.412 3.403 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1nc(C)sc1C ZINC001178007744 1098676348 /nfs/dbraw/zinc/67/63/48/1098676348.db2.gz JFVIZARMEXZKIT-UHFFFAOYSA-N 0 3 323.506 3.492 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)CCC1 ZINC001235209353 1098880535 /nfs/dbraw/zinc/88/05/35/1098880535.db2.gz KSHUCKCHOMUADI-GOSISDBHSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235229243 1098902144 /nfs/dbraw/zinc/90/21/44/1098902144.db2.gz ZGXUJQRGIOGQDI-KGLIPLIRSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc3nccnc3c2)cc1 ZINC001178700061 1098912764 /nfs/dbraw/zinc/91/27/64/1098912764.db2.gz IKAZLEHGMIISKP-UHFFFAOYSA-N 0 3 305.381 3.484 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001178795428 1098933082 /nfs/dbraw/zinc/93/30/82/1098933082.db2.gz RAWYQYYJEDKJBE-KBPBESRZSA-N 0 3 321.490 3.133 20 30 DGEDHN Cc1ncsc1CN1CCC[C@@]2(CCCN(CCC#N)C2)C1 ZINC001277938815 1098970946 /nfs/dbraw/zinc/97/09/46/1098970946.db2.gz FRMINIBDBHFYOP-QGZVFWFLSA-N 0 3 318.490 3.043 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001235372824 1098984716 /nfs/dbraw/zinc/98/47/16/1098984716.db2.gz CPDDHVXUPGIKRR-KRWDZBQOSA-N 0 3 317.477 3.401 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001235469490 1099053440 /nfs/dbraw/zinc/05/34/40/1099053440.db2.gz FQXVCGYLFIKSDX-UKRRQHHQSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C/c1cccc(F)c1 ZINC001235471631 1099056554 /nfs/dbraw/zinc/05/65/54/1099056554.db2.gz OGFGTPKKMCFAIO-JHTBKMLMSA-N 0 3 316.420 3.338 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179305944 1099057788 /nfs/dbraw/zinc/05/77/88/1099057788.db2.gz ACDJHORASGCBDX-GDBMZVCRSA-N 0 3 321.465 3.207 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCCCCNCc1nccs1 ZINC001179306657 1099059705 /nfs/dbraw/zinc/05/97/05/1099059705.db2.gz KKIBPEMWRDLSFW-CABCVRRESA-N 0 3 323.506 3.368 20 30 DGEDHN N#CCc1ccccc1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001235524072 1099075046 /nfs/dbraw/zinc/07/50/46/1099075046.db2.gz YUGXUDLGVWWLRG-IBGZPJMESA-N 0 3 307.397 3.191 20 30 DGEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccccc1CC#N ZINC001235524176 1099075167 /nfs/dbraw/zinc/07/51/67/1099075167.db2.gz AISXLRLKQLJCKD-UHFFFAOYSA-N 0 3 317.433 3.099 20 30 DGEDHN Cc1cccnc1O[C@@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235526611 1099075801 /nfs/dbraw/zinc/07/58/01/1099075801.db2.gz FEVVKELFJSMEAI-GOSISDBHSA-N 0 3 307.397 3.109 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCCCCNCc1ocnc1C ZINC001179340182 1099076787 /nfs/dbraw/zinc/07/67/87/1099076787.db2.gz VEWXOZBSKCWYBQ-MRXNPFEDSA-N 0 3 321.465 3.352 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C(C)C ZINC001235549515 1099082370 /nfs/dbraw/zinc/08/23/70/1099082370.db2.gz GFERBPCUGSYQGW-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)[C@@H]1CCC1(C)C ZINC001179364936 1099084218 /nfs/dbraw/zinc/08/42/18/1099084218.db2.gz STOFRTWTTXDOGC-WDSOQIARSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cncc(Cl)c1C ZINC001235549621 1099084609 /nfs/dbraw/zinc/08/46/09/1099084609.db2.gz HPXICLXLXQLEBK-CQSZACIVSA-N 0 3 321.852 3.156 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179384480 1099089348 /nfs/dbraw/zinc/08/93/48/1099089348.db2.gz NVWMEBPWCUQQHP-NSHGMRRFSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(F)c(C)cc1F ZINC001235616358 1099099238 /nfs/dbraw/zinc/09/92/38/1099099238.db2.gz KGLNQCAHFSJXAZ-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC001235741820 1099158425 /nfs/dbraw/zinc/15/84/25/1099158425.db2.gz JPNJYUFTHQOZSF-OOFWQKGWSA-N 0 3 316.420 3.338 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC001277968390 1099178819 /nfs/dbraw/zinc/17/88/19/1099178819.db2.gz HMRZBFAGEFRTID-OAHLLOKOSA-N 0 3 300.446 3.058 20 30 DGEDHN N#Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236469647 1099630166 /nfs/dbraw/zinc/63/01/66/1099630166.db2.gz LLBFGRKSKXMWQZ-MSOLQXFVSA-N 0 3 302.381 3.169 20 30 DGEDHN C=CCCC(=O)NC1(C)CCN(Cc2csc(C)c2)CC1 ZINC001278031658 1099886605 /nfs/dbraw/zinc/88/66/05/1099886605.db2.gz VXVPRTXKWVTKAI-UHFFFAOYSA-N 0 3 306.475 3.493 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CCC(C)(C)c1ccccc1 ZINC001278033896 1099893998 /nfs/dbraw/zinc/89/39/98/1099893998.db2.gz KJSAHSNKFCRMPH-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001189006950 1099928627 /nfs/dbraw/zinc/92/86/27/1099928627.db2.gz NUJIYEHOVKDINJ-DLBZAZTESA-N 0 3 318.486 3.446 20 30 DGEDHN C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1occc1[S-])CC2 ZINC001237181548 1100017027 /nfs/dbraw/zinc/01/70/27/1100017027.db2.gz RVCLSAVENLNEIM-QGZVFWFLSA-N 0 3 320.458 3.101 20 30 DGEDHN C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1occc1[S-])CC2 ZINC001237181548 1100017036 /nfs/dbraw/zinc/01/70/36/1100017036.db2.gz RVCLSAVENLNEIM-QGZVFWFLSA-N 0 3 320.458 3.101 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2cccc(OC)c2C)C1 ZINC001189318642 1100023416 /nfs/dbraw/zinc/02/34/16/1100023416.db2.gz NIVNFMBTPYKURA-KRWDZBQOSA-N 0 3 316.445 3.003 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189462682 1100064464 /nfs/dbraw/zinc/06/44/64/1100064464.db2.gz XTIAPVZSDGVEDH-CRAIPNDOSA-N 0 3 313.445 3.027 20 30 DGEDHN CCC[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189462499 1100066222 /nfs/dbraw/zinc/06/62/22/1100066222.db2.gz WHLQOYFEPJGRHX-MAUKXSAKSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC001278094455 1100115506 /nfs/dbraw/zinc/11/55/06/1100115506.db2.gz JNFFIJVCPQTIHR-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN Cn1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237467871 1100134238 /nfs/dbraw/zinc/13/42/38/1100134238.db2.gz IGCHQXQZYHQPIL-HNAYVOBHSA-N 0 3 309.413 3.051 20 30 DGEDHN Cn1cc(CN2CCC3(CCOCC3)CC2)c2cc(C#N)ccc21 ZINC001237473514 1100135242 /nfs/dbraw/zinc/13/52/42/1100135242.db2.gz MDCLGJKJNIWUQJ-UHFFFAOYSA-N 0 3 323.440 3.443 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189894722 1100156885 /nfs/dbraw/zinc/15/68/85/1100156885.db2.gz YVKILQZYLMXDGT-CRAIPNDOSA-N 0 3 313.445 3.027 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190004566 1100185494 /nfs/dbraw/zinc/18/54/94/1100185494.db2.gz QARHPASIWGQGSP-QAPCUYQASA-N 0 3 316.420 3.079 20 30 DGEDHN N#Cc1ccc2nc(CN3CC[C@@H](Cc4ccccc4)C3)cn2c1 ZINC001237613782 1100188117 /nfs/dbraw/zinc/18/81/17/1100188117.db2.gz JALTTWIHLXJQRS-KRWDZBQOSA-N 0 3 316.408 3.271 20 30 DGEDHN CN(CCCc1ccccc1)Cc1cn2cc(C#N)ccc2n1 ZINC001237614316 1100188235 /nfs/dbraw/zinc/18/82/35/1100188235.db2.gz NGKXYSSSMNXGMF-UHFFFAOYSA-N 0 3 304.397 3.271 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCC3CCCCC3)[C@@H]2C1 ZINC001190043022 1100191004 /nfs/dbraw/zinc/19/10/04/1100191004.db2.gz ZTHCMUVLJYMKSE-ZWKOTPCHSA-N 0 3 304.478 3.456 20 30 DGEDHN CC(=O)N1CC[C@H](N(Cc2cc(Cl)cc(C#N)c2)C(C)C)C1 ZINC001237753943 1100238503 /nfs/dbraw/zinc/23/85/03/1100238503.db2.gz QEAJNJWXBNNRRX-KRWDZBQOSA-N 0 3 319.836 3.043 20 30 DGEDHN C#CCN(C(=O)c1cc(Cl)cs1)C1CCN(CC=C)CC1 ZINC001278188161 1100361642 /nfs/dbraw/zinc/36/16/42/1100361642.db2.gz GWEHPQBGCGXYMS-UHFFFAOYSA-N 0 3 322.861 3.127 20 30 DGEDHN CC#CCNC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc2ccccc2c1 ZINC001278205603 1100400651 /nfs/dbraw/zinc/40/06/51/1100400651.db2.gz CCTUUIVBVJDAAT-YSGRDPCXSA-N 0 3 320.436 3.266 20 30 DGEDHN CCCCCCCNC(=O)N1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001191104906 1100400808 /nfs/dbraw/zinc/40/08/08/1100400808.db2.gz WMIMRCUXPNVXQO-HOTGVXAUSA-N 0 3 313.461 3.175 20 30 DGEDHN CC(C)Oc1c(F)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001238319750 1100415573 /nfs/dbraw/zinc/41/55/73/1100415573.db2.gz YERGLAXAYRWZJD-OAHLLOKOSA-N 0 3 321.417 3.387 20 30 DGEDHN COc1cc(CN2CCC[C@@H](c3ccccn3)C2)ccc1C#N ZINC001238408073 1100435406 /nfs/dbraw/zinc/43/54/06/1100435406.db2.gz XTWNETWQRNKUIY-QGZVFWFLSA-N 0 3 307.397 3.341 20 30 DGEDHN CCc1cc(CN2CC[C@H](Oc3cccnc3)C2)ccc1C#N ZINC001238776151 1100526198 /nfs/dbraw/zinc/52/61/98/1100526198.db2.gz TYNASDKONNXREQ-IBGZPJMESA-N 0 3 307.397 3.169 20 30 DGEDHN CCc1cc(CN2CC[C@H](Oc3ncccc3C)C2)ccc1C#N ZINC001238773331 1100526566 /nfs/dbraw/zinc/52/65/66/1100526566.db2.gz VLMHMAIJLHAZCA-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001192323615 1100604119 /nfs/dbraw/zinc/60/41/19/1100604119.db2.gz CNUOFKZBEUOWIK-NVXWUHKLSA-N 0 3 318.436 3.113 20 30 DGEDHN CCCCCCOC(=O)Nc1sc2c(c1C#N)CCNC2 ZINC001239311003 1100627993 /nfs/dbraw/zinc/62/79/93/1100627993.db2.gz IGMTWDTUYQKYBA-UHFFFAOYSA-N 0 3 307.419 3.394 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192705177 1100656424 /nfs/dbraw/zinc/65/64/24/1100656424.db2.gz WQRMLKURUWZSSF-GOSISDBHSA-N 0 3 324.509 3.328 20 30 DGEDHN C[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1cccc(F)c1F ZINC001192801229 1100663332 /nfs/dbraw/zinc/66/33/32/1100663332.db2.gz FHWTZRQATLEYCP-MEDUHNTESA-N 0 3 302.324 3.221 20 30 DGEDHN C#CCN1CC[C@]2(CCCN(Cc3cccc(CC)c3)CC2)C1=O ZINC001273651987 1100697437 /nfs/dbraw/zinc/69/74/37/1100697437.db2.gz ZOGJWSSKAHAMKR-OAQYLSRUSA-N 0 3 324.468 3.087 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cc(F)ccc3CC#N)c2)CC1 ZINC001240292912 1100928651 /nfs/dbraw/zinc/92/86/51/1100928651.db2.gz QENKIFOJGNKOMD-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 ZINC001194448984 1100940498 /nfs/dbraw/zinc/94/04/98/1100940498.db2.gz PKCAXBWKELRERM-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC[C@@H](N(C)CC=C)C1)c1ccccc1 ZINC001194554787 1100965308 /nfs/dbraw/zinc/96/53/08/1100965308.db2.gz FGEBFDNSRNLASJ-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN N#Cc1c[nH]c2ncnc(C3=CCCN(Cc4ccccc4)C3)c12 ZINC001240384306 1100967266 /nfs/dbraw/zinc/96/72/66/1100967266.db2.gz AKIXKNSQXYRTDW-UHFFFAOYSA-N 0 3 315.380 3.119 20 30 DGEDHN Cc1cc(-c2ccc(CN3CCN(C)CC3)cc2)cc(F)c1C#N ZINC001240408759 1100983594 /nfs/dbraw/zinc/98/35/94/1100983594.db2.gz UDEPDQCJMWVJLX-UHFFFAOYSA-N 0 3 323.415 3.420 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C\c2ccccc2F)CC1 ZINC001196281175 1101280374 /nfs/dbraw/zinc/28/03/74/1101280374.db2.gz BTQLKTRXWUUBDQ-YVMONPNESA-N 0 3 316.420 3.339 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C/c2ccccc2F)CC1 ZINC001196281174 1101280921 /nfs/dbraw/zinc/28/09/21/1101280921.db2.gz BTQLKTRXWUUBDQ-VMPITWQZSA-N 0 3 316.420 3.339 20 30 DGEDHN C=CC[C@H]1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC001196442573 1101302119 /nfs/dbraw/zinc/30/21/19/1101302119.db2.gz RQAFFAFBTLEXHJ-LRDDRELGSA-N 0 3 322.811 3.482 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(CC)s1 ZINC001273727585 1101376031 /nfs/dbraw/zinc/37/60/31/1101376031.db2.gz QAKJJLSNEXPABB-SFHVURJKSA-N 0 3 318.486 3.454 20 30 DGEDHN C=CCCCC(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001196984418 1101450169 /nfs/dbraw/zinc/45/01/69/1101450169.db2.gz CRZRRQROLBOACT-UHFFFAOYSA-N 0 3 314.473 3.428 20 30 DGEDHN C#CCCN1CCCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC001197159036 1101491589 /nfs/dbraw/zinc/49/15/89/1101491589.db2.gz ZVQKXPLBWFHKRJ-GHXNOFRVSA-N 0 3 310.441 3.038 20 30 DGEDHN N#Cc1nc(C2=CCN(Cc3ccccc3)CC2)cc2nc[nH]c21 ZINC001241501604 1101513452 /nfs/dbraw/zinc/51/34/52/1101513452.db2.gz OMBHQZTYNAMBPK-UHFFFAOYSA-N 0 3 315.380 3.119 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001273745482 1101581086 /nfs/dbraw/zinc/58/10/86/1101581086.db2.gz XRQPGBWFUQJCGO-HKUYNNGSSA-N 0 3 314.473 3.278 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001278335187 1101674901 /nfs/dbraw/zinc/67/49/01/1101674901.db2.gz HXQNTNCBRCFLEH-QUCCMNQESA-N 0 3 316.489 3.317 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccccc3C=NO)cc2)CC1 ZINC001241745069 1101676847 /nfs/dbraw/zinc/67/68/47/1101676847.db2.gz JKYJHBMNBIKSCE-UHFFFAOYSA-N 0 3 309.413 3.304 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccccc1N(C)C ZINC001152353385 1101681005 /nfs/dbraw/zinc/68/10/05/1101681005.db2.gz YZYSBLQXAUMGPJ-MRXNPFEDSA-N 0 3 317.477 3.045 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2cc3[nH]ccc3s2)CC1 ZINC001197951470 1101713057 /nfs/dbraw/zinc/71/30/57/1101713057.db2.gz VUXZVMRAZUPCQP-UHFFFAOYSA-N 0 3 317.458 3.344 20 30 DGEDHN CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)CCCCCCCC)C1 ZINC001198080174 1101749735 /nfs/dbraw/zinc/74/97/35/1101749735.db2.gz CBUWVNSGCMKBEI-OFLQAFCJSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CCCCN1CCCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC001198214948 1101780691 /nfs/dbraw/zinc/78/06/91/1101780691.db2.gz XCSAAGVIIKSSRS-SFHVURJKSA-N 0 3 318.436 3.068 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)C=C(C)C)c1ccccc1OC ZINC001198506968 1101876507 /nfs/dbraw/zinc/87/65/07/1101876507.db2.gz HCVGDPBKVIJQJB-QGZVFWFLSA-N 0 3 316.445 3.375 20 30 DGEDHN C#C[C@@H]1CCCCN1CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001198526339 1101891898 /nfs/dbraw/zinc/89/18/98/1101891898.db2.gz QNFIPPFCFFEJCY-OAHLLOKOSA-N 0 3 306.450 3.264 20 30 DGEDHN C=CCC[C@H](C)N[C@@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198544841 1101914426 /nfs/dbraw/zinc/91/44/26/1101914426.db2.gz VYDXUMKJFJWXDT-RDJZCZTQSA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCC1CCC1)c1ccccc1OC ZINC001198596653 1101920551 /nfs/dbraw/zinc/92/05/51/1101920551.db2.gz UCPLFGKIXGSRBM-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCC(=O)NC[C@@H](NCC[C@H](C)F)c1ccccc1OC ZINC001198595365 1101921456 /nfs/dbraw/zinc/92/14/56/1101921456.db2.gz KZRSVZQRMJVEHQ-GOEBONIOSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCCC(C)C)c1ccccc1OC ZINC001198605654 1101924467 /nfs/dbraw/zinc/92/44/67/1101924467.db2.gz KHPLKFQYQRITBQ-KRWDZBQOSA-N 0 3 318.461 3.454 20 30 DGEDHN C[NH+](C)CCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001242152126 1101943528 /nfs/dbraw/zinc/94/35/28/1101943528.db2.gz FNUWPIVIZPZIGU-XDHOZWIPSA-N 0 3 302.349 3.241 20 30 DGEDHN CCN(CC1(C#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001198694404 1101947932 /nfs/dbraw/zinc/94/79/32/1101947932.db2.gz DIZRJFRCEUSCTL-UHFFFAOYSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C[C@H](C)CC)c1ccccc1OC ZINC001198696441 1101949316 /nfs/dbraw/zinc/94/93/16/1101949316.db2.gz ZFYICQMBUZHHLV-WBVHZDCISA-N 0 3 318.461 3.454 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198751487 1101977463 /nfs/dbraw/zinc/97/74/63/1101977463.db2.gz GNYYIIDIJRFVAQ-MRXNPFEDSA-N 0 3 304.434 3.207 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198834023 1101989829 /nfs/dbraw/zinc/98/98/29/1101989829.db2.gz GNUWJWWDSBXRQA-HNNXBMFYSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)[C@@H](F)CC)c1ccccc1OC ZINC001198834354 1101990752 /nfs/dbraw/zinc/99/07/52/1101990752.db2.gz LURAPSRDLMESSS-JKSUJKDBSA-N 0 3 322.424 3.156 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198856383 1102002812 /nfs/dbraw/zinc/00/28/12/1102002812.db2.gz HLTROUGMSFSUIC-RDJZCZTQSA-N 0 3 318.461 3.453 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198857419 1102003734 /nfs/dbraw/zinc/00/37/34/1102003734.db2.gz PBGJYFIQSDGLKV-HOCLYGCPSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001198857937 1102006893 /nfs/dbraw/zinc/00/68/93/1102006893.db2.gz ZNYWJWPVOOMFFE-DOTOQJQBSA-N 0 3 318.461 3.454 20 30 DGEDHN CCCC[C@H](C(=O)NCCNCc1ccc(C#N)cc1)C(C)C ZINC001152646711 1102160473 /nfs/dbraw/zinc/16/04/73/1102160473.db2.gz SCCDBHQMCSXULW-SFHVURJKSA-N 0 3 315.461 3.226 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@]23CCN([C@H](C)CC)C3=O)c1 ZINC001273792375 1102231312 /nfs/dbraw/zinc/23/13/12/1102231312.db2.gz QJOGCTHQWLSVEH-UZLBHIALSA-N 0 3 310.441 3.033 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CCN(CC(=C)C)C3=O)CC2)c1 ZINC001273800436 1102274445 /nfs/dbraw/zinc/27/44/45/1102274445.db2.gz MUGYJTBFIONNMS-UHFFFAOYSA-N 0 3 322.452 3.059 20 30 DGEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccccc1C#N ZINC001242715208 1102304066 /nfs/dbraw/zinc/30/40/66/1102304066.db2.gz JRZPATYTCFOECK-UHFFFAOYSA-N 0 3 308.385 3.064 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](F)CC ZINC001273826590 1102345936 /nfs/dbraw/zinc/34/59/36/1102345936.db2.gz ZYQPLIRXLWKQHL-MSOLQXFVSA-N 0 3 318.436 3.244 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001273833872 1102364874 /nfs/dbraw/zinc/36/48/74/1102364874.db2.gz RGMOZMFQPBCWCU-RLGIIYIFSA-N 0 3 322.880 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001494905459 1102365351 /nfs/dbraw/zinc/36/53/51/1102365351.db2.gz ILJQIAJHSYMIKV-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](CC)C(C)(C)C)C2 ZINC001273847827 1102375029 /nfs/dbraw/zinc/37/50/29/1102375029.db2.gz DLHIASNJDSJQSN-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN Cc1cc(NC(=S)N2CCC3SC(=O)C=C3C2)ccc1F ZINC001201033402 1102477578 /nfs/dbraw/zinc/47/75/78/1102477578.db2.gz DNUXXYZXGQUWRB-ZDUSSCGKSA-N 0 3 322.430 3.105 20 30 DGEDHN CCCCCCCN1CCn2cc(CN3CCCC3)nc2C1 ZINC001201762915 1102722357 /nfs/dbraw/zinc/72/23/57/1102722357.db2.gz ZIOPPCHJQJFIAE-UHFFFAOYSA-N 0 3 304.482 3.265 20 30 DGEDHN O=C(Nc1cccc(Cl)c1)N1CCC2SC(=O)C=C2C1 ZINC001202241143 1102914096 /nfs/dbraw/zinc/91/40/96/1102914096.db2.gz SAAXBFKEJKZTPC-GFCCVEGCSA-N 0 3 308.790 3.146 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC/C=C\c1ccccc1)C2 ZINC001111016439 1103017560 /nfs/dbraw/zinc/01/75/60/1103017560.db2.gz JBAJSEOUIBJRGM-CSMWOAOJSA-N 0 3 322.452 3.225 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001276299670 1103022403 /nfs/dbraw/zinc/02/24/03/1103022403.db2.gz MBAMVWFECHHOCR-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)Cc1ccccc1)C2 ZINC001111079785 1103037720 /nfs/dbraw/zinc/03/77/20/1103037720.db2.gz WXDFJRXPMPFCMJ-WTGUMLROSA-N 0 3 324.468 3.000 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001488655187 1103089705 /nfs/dbraw/zinc/08/97/05/1103089705.db2.gz MOMQXTBICSCPAR-KGLIPLIRSA-N 0 3 322.399 3.466 20 30 DGEDHN C=C1CCC(C(=O)N(CCNCCF)Cc2ccccc2)CC1 ZINC001325700284 1103105513 /nfs/dbraw/zinc/10/55/13/1103105513.db2.gz CKERNXVARJBYAF-UHFFFAOYSA-N 0 3 318.436 3.321 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001488686482 1103107530 /nfs/dbraw/zinc/10/75/30/1103107530.db2.gz AWXXOJFZBDCZDG-LJQANCHMSA-N 0 3 312.457 3.288 20 30 DGEDHN CCCCCCC[C@@H](C)N1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001258043367 1103120543 /nfs/dbraw/zinc/12/05/43/1103120543.db2.gz NTWZZCWRYHGVCR-ZBFHGGJFSA-N 0 3 312.498 3.336 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@](C)(CC)CCCCC)C[C@@H]2C1 ZINC001325778785 1103124115 /nfs/dbraw/zinc/12/41/15/1103124115.db2.gz MHMQSFIFNSHADR-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)OCCCCCC ZINC001325898734 1103155123 /nfs/dbraw/zinc/15/51/23/1103155123.db2.gz JCOIBPSTUIZUCG-OKZBNKHCSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001488847236 1103176135 /nfs/dbraw/zinc/17/61/35/1103176135.db2.gz UCLTXLIVABEDCA-KOMQPUFPSA-N 0 3 318.436 3.331 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001488860186 1103181463 /nfs/dbraw/zinc/18/14/63/1103181463.db2.gz NGIMIGKBEWDGRK-WGSAOQKQSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CC[C@@H](NCC(=C)Cl)C2)CCC1 ZINC001488949763 1103217081 /nfs/dbraw/zinc/21/70/81/1103217081.db2.gz VVEISZXSYOEXJA-LSDHHAIUSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001488996527 1103240961 /nfs/dbraw/zinc/24/09/61/1103240961.db2.gz GNRJQGFCKUIFNZ-WSOGKROESA-N 0 3 324.896 3.392 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001490867268 1103242279 /nfs/dbraw/zinc/24/22/79/1103242279.db2.gz YNCXLVFMODFYNA-QAQDUYKDSA-N 0 3 318.848 3.119 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1ccccc1)C2 ZINC001111356005 1103243707 /nfs/dbraw/zinc/24/37/07/1103243707.db2.gz JTCPAZNVPWKUJL-OWYHZJEWSA-N 0 3 312.457 3.478 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(C)ccc3[nH]1)C2 ZINC001095850029 1103265693 /nfs/dbraw/zinc/26/56/93/1103265693.db2.gz RYFCCKZGLFLHMX-AYBZRNKSSA-N 0 3 323.440 3.388 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cccnc2C)[C@@H]1CC ZINC001489125265 1103282709 /nfs/dbraw/zinc/28/27/09/1103282709.db2.gz NDMINSIKMXEREG-DLBZAZTESA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)/C=C/c2ccc[nH]2)CCCCC1 ZINC001115503149 1103286444 /nfs/dbraw/zinc/28/64/44/1103286444.db2.gz BBDXHHCRSVAVBG-BQYQJAHWSA-N 0 3 321.852 3.189 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)CC(C)(F)F ZINC001326457598 1103324439 /nfs/dbraw/zinc/32/44/39/1103324439.db2.gz CKBUQKROCMLSLE-UHFFFAOYSA-N 0 3 310.388 3.356 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCc2ccco2)cc1 ZINC001326489594 1103337122 /nfs/dbraw/zinc/33/71/22/1103337122.db2.gz ATKQMONCQJZRKD-MRXNPFEDSA-N 0 3 324.424 3.203 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CSC(C)C)cc1 ZINC001326489649 1103337150 /nfs/dbraw/zinc/33/71/50/1103337150.db2.gz CCQUIZWSDDMDIQ-OAHLLOKOSA-N 0 3 318.486 3.118 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(C)cc2C)[C@H]1C ZINC001489284357 1103339042 /nfs/dbraw/zinc/33/90/42/1103339042.db2.gz YPPQNGCGOJSHMW-AEFFLSMTSA-N 0 3 300.446 3.001 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccccc1 ZINC001489333848 1103364811 /nfs/dbraw/zinc/36/48/11/1103364811.db2.gz XFZZCZLZVQIBJR-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001326599896 1103380687 /nfs/dbraw/zinc/38/06/87/1103380687.db2.gz XNRSAHIDAJPOBW-HNNXBMFYSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CCCC=C)cccc2C1 ZINC001326674064 1103403360 /nfs/dbraw/zinc/40/33/60/1103403360.db2.gz HTTFQEHTIISVNW-UHFFFAOYSA-N 0 3 310.441 3.041 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CCC(=C)C)cccc2C1 ZINC001326674078 1103404035 /nfs/dbraw/zinc/40/40/35/1103404035.db2.gz HYMWOWJRSXBTPX-UHFFFAOYSA-N 0 3 310.441 3.041 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1CNCC=C(Cl)Cl ZINC001326699700 1103411529 /nfs/dbraw/zinc/41/15/29/1103411529.db2.gz GZBWVPOIHPXKOX-CYBMUJFWSA-N 0 3 317.260 3.080 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1nc(C(C)(C)C)cs1 ZINC001326784612 1103441778 /nfs/dbraw/zinc/44/17/78/1103441778.db2.gz WWBIWRSTPDCWBC-VXGBXAGGSA-N 0 3 322.478 3.029 20 30 DGEDHN C#CCCCC(=O)NCCCN(C)Cc1ccc(Cl)s1 ZINC001490181535 1103507039 /nfs/dbraw/zinc/50/70/39/1103507039.db2.gz PQPSMRSZXGTVET-UHFFFAOYSA-N 0 3 312.866 3.143 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001490222716 1103514154 /nfs/dbraw/zinc/51/41/54/1103514154.db2.gz VKAZCJBDJGVJEM-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2c(cccc2F)s1 ZINC001490277867 1103535651 /nfs/dbraw/zinc/53/56/51/1103535651.db2.gz MMKXRKICZMYSMY-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN C=C(Br)CN[C@H](C)[C@H]1CCCCN1C(=O)CCC ZINC001490290363 1103541071 /nfs/dbraw/zinc/54/10/71/1103541071.db2.gz IRAAIHNPIKBPFN-CHWSQXEVSA-N 0 3 317.271 3.054 20 30 DGEDHN C=C(Br)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCC ZINC001490290366 1103541756 /nfs/dbraw/zinc/54/17/56/1103541756.db2.gz IRAAIHNPIKBPFN-STQMWFEESA-N 0 3 317.271 3.054 20 30 DGEDHN C/C=C(\C)C(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001490297043 1103544775 /nfs/dbraw/zinc/54/47/75/1103544775.db2.gz DLSHHFODFQFITH-ZMVNSWFDSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001327213233 1103586824 /nfs/dbraw/zinc/58/68/24/1103586824.db2.gz PCOVAFQRVPOZQB-UHFFFAOYSA-N 0 3 303.450 3.027 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001327266141 1103606117 /nfs/dbraw/zinc/60/61/17/1103606117.db2.gz WWWVIJINOYOXFG-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccsc1C(F)F ZINC001327284434 1103613599 /nfs/dbraw/zinc/61/35/99/1103613599.db2.gz GSBAUBAGBDBNAJ-UHFFFAOYSA-N 0 3 314.401 3.103 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001490431716 1103626051 /nfs/dbraw/zinc/62/60/51/1103626051.db2.gz WXRMDHRFPBDBAT-OCCSQVGLSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001490460842 1103635186 /nfs/dbraw/zinc/63/51/86/1103635186.db2.gz JQNIPKSOXOBOJY-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC001490560687 1103657826 /nfs/dbraw/zinc/65/78/26/1103657826.db2.gz MEOJHMNOXWASNN-RBUKOAKNSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001490565854 1103660785 /nfs/dbraw/zinc/66/07/85/1103660785.db2.gz RYWPXTPTQMVGML-TZMCWYRMSA-N 0 3 319.474 3.179 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001490610985 1103679145 /nfs/dbraw/zinc/67/91/45/1103679145.db2.gz PSHOSPIWURYGLU-ROUUACIJSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001490791136 1103745714 /nfs/dbraw/zinc/74/57/14/1103745714.db2.gz FFXHGTIAKHVPOB-OKILXGFUSA-N 0 3 313.401 3.016 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001490793017 1103746251 /nfs/dbraw/zinc/74/62/51/1103746251.db2.gz AOAFMBIFNLYBFQ-BYNSBNAKSA-N 0 3 312.404 3.062 20 30 DGEDHN CCN(Cc1cc(C)sc1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214599 1103790074 /nfs/dbraw/zinc/79/00/74/1103790074.db2.gz PIKSTEMZFYKGQC-CQSZACIVSA-N 0 3 320.502 3.351 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@H]1C ZINC001490797984 1103834752 /nfs/dbraw/zinc/83/47/52/1103834752.db2.gz CHYXDFNAXDBOTG-VXNCWWDNSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccccc31)C2 ZINC001096473590 1103845165 /nfs/dbraw/zinc/84/51/65/1103845165.db2.gz TWNLWLXRTBEMNR-UXPWSPDFSA-N 0 3 318.420 3.198 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC(CC1)CC3)C2 ZINC001096588895 1103874767 /nfs/dbraw/zinc/87/47/67/1103874767.db2.gz OSUYOYGGZPSZNN-ASLPWWTFSA-N 0 3 302.462 3.254 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001096591348 1103877305 /nfs/dbraw/zinc/87/73/05/1103877305.db2.gz PGFAJSMVTNCSDL-DFEOGRTESA-N 0 3 302.462 3.421 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC/C=C\c2ccccc2)C1 ZINC001278399029 1103878016 /nfs/dbraw/zinc/87/80/16/1103878016.db2.gz SPLKMNILTCRWIF-CVXMMYKXSA-N 0 3 310.441 3.082 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)C2 ZINC001096674811 1103899866 /nfs/dbraw/zinc/89/98/66/1103899866.db2.gz NWIXZMOVXZDYOU-MHORFTMASA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC)c(CC)c1)C2 ZINC001096692918 1103902316 /nfs/dbraw/zinc/90/23/16/1103902316.db2.gz RWRIQNNMAOCLFS-AABGKKOBSA-N 0 3 324.468 3.170 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1oc(C(F)F)cc1C ZINC001328353923 1103920442 /nfs/dbraw/zinc/92/04/42/1103920442.db2.gz ILQVJPFFEAQGLW-JTQLQIEISA-N 0 3 320.767 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H]1CCc2ccccc21 ZINC001328429577 1103942838 /nfs/dbraw/zinc/94/28/38/1103942838.db2.gz RHCRYZNRNXVSNL-HOCLYGCPSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC001328458234 1103951493 /nfs/dbraw/zinc/95/14/93/1103951493.db2.gz GNHSWLLMBSDXFB-ZDUSSCGKSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)/C(C)=C/CC)CC2)C1 ZINC001328485886 1103965375 /nfs/dbraw/zinc/96/53/75/1103965375.db2.gz PYGMTQISTODTPR-CAOOACKPSA-N 0 3 320.477 3.002 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@@H](Oc3ccncc3)C2)cc1 ZINC001137122618 1103996376 /nfs/dbraw/zinc/99/63/76/1103996376.db2.gz KOUHACJNKUKKAU-LJQANCHMSA-N 0 3 323.396 3.027 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@H](Oc3ccncc3)C2)cc1 ZINC001137122617 1103996470 /nfs/dbraw/zinc/99/64/70/1103996470.db2.gz KOUHACJNKUKKAU-IBGZPJMESA-N 0 3 323.396 3.027 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC001328732795 1104044105 /nfs/dbraw/zinc/04/41/05/1104044105.db2.gz IZCLTWPGJZRQAE-PKOBYXMFSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001202616685 1104083613 /nfs/dbraw/zinc/08/36/13/1104083613.db2.gz IXAXLJCDJAELJV-NEPJUHHUSA-N 0 3 317.260 3.289 20 30 DGEDHN C=CCCCC(=O)NC1CC(CNCc2ccncc2Cl)C1 ZINC001328905661 1104098617 /nfs/dbraw/zinc/09/86/17/1104098617.db2.gz XPTDAHGICNPBAD-UHFFFAOYSA-N 0 3 321.852 3.076 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001328996657 1104119285 /nfs/dbraw/zinc/11/92/85/1104119285.db2.gz QIJSLGRAIQEVSQ-MYSQMOAQSA-N 0 3 319.474 3.205 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001202694639 1104122256 /nfs/dbraw/zinc/12/22/56/1104122256.db2.gz RKJFFRXQMVDGRU-UHFFFAOYSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001278410660 1104126342 /nfs/dbraw/zinc/12/63/42/1104126342.db2.gz OVLUAXWGEXDKIC-MAUKXSAKSA-N 0 3 312.457 3.200 20 30 DGEDHN C=C[C@@H](COC)NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001329349741 1104226986 /nfs/dbraw/zinc/22/69/86/1104226986.db2.gz OAUPHDJHTCLYDJ-INIZCTEOSA-N 0 3 320.433 3.002 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCc2ccc(C)cc2)C1 ZINC001278420238 1104274327 /nfs/dbraw/zinc/27/43/27/1104274327.db2.gz LBTYIOLKNSLEHW-FQEVSTJZSA-N 0 3 314.473 3.474 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001274252210 1104335344 /nfs/dbraw/zinc/33/53/44/1104335344.db2.gz UVKKCKZNRLNUGE-BLLLJJGKSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H]1CNCc2ccsc21 ZINC001245985531 1104346701 /nfs/dbraw/zinc/34/67/01/1104346701.db2.gz RAYWZEMQSITXNN-CVEARBPZSA-N 0 3 308.491 3.370 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1ccnc(Cl)c1 ZINC001274340670 1104357262 /nfs/dbraw/zinc/35/72/62/1104357262.db2.gz WMPKNNHVAGQANL-LXXRFIIISA-N 0 3 321.852 3.099 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001274643682 1104434398 /nfs/dbraw/zinc/43/43/98/1104434398.db2.gz LARKPLSZPFWVSL-AEFFLSMTSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001330039453 1104460032 /nfs/dbraw/zinc/46/00/32/1104460032.db2.gz RQJHTBFXYTXLCG-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001274733061 1104473048 /nfs/dbraw/zinc/47/30/48/1104473048.db2.gz MPQZSCHSZGGOBF-KGLIPLIRSA-N 0 3 306.837 3.299 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001330086968 1104476282 /nfs/dbraw/zinc/47/62/82/1104476282.db2.gz VXSMXCNBMVKMDJ-INIZCTEOSA-N 0 3 306.494 3.155 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C=C1CCC1 ZINC001274849078 1104518551 /nfs/dbraw/zinc/51/85/51/1104518551.db2.gz YMGLRRUCHJRACP-LJQANCHMSA-N 0 3 310.441 3.388 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(CC)cc2)C(C)(C)C1 ZINC001330245876 1104520361 /nfs/dbraw/zinc/52/03/61/1104520361.db2.gz YXPSUOJTRQYBNL-GOSISDBHSA-N 0 3 314.473 3.194 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001274884176 1104534138 /nfs/dbraw/zinc/53/41/38/1104534138.db2.gz YVTRZJUHHJLEQM-CQSZACIVSA-N 0 3 317.408 3.038 20 30 DGEDHN CCCC(CCC)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274894717 1104536700 /nfs/dbraw/zinc/53/67/00/1104536700.db2.gz NZQUINONWMVVDA-QGZVFWFLSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C=C2CCC2)CC1 ZINC001274945130 1104549249 /nfs/dbraw/zinc/54/92/49/1104549249.db2.gz BGDTXPIQKJLZBD-UHFFFAOYSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001279172496 1104552084 /nfs/dbraw/zinc/55/20/84/1104552084.db2.gz LPLQWQZDXWKWOF-UONOGXRCSA-N 0 3 318.383 3.288 20 30 DGEDHN C[C@H](CNCc1ccc(Cl)s1)NC(=O)C#CC(C)(C)C ZINC001321513829 1104565837 /nfs/dbraw/zinc/56/58/37/1104565837.db2.gz ILHJLMGFNCFZPP-LLVKDONJSA-N 0 3 312.866 3.045 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@](C)(CC)CCC)C[C@]2(C)C1 ZINC001330537054 1104572620 /nfs/dbraw/zinc/57/26/20/1104572620.db2.gz FXYQPECQOUTSFL-AQNXPRMDSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001330624297 1104597063 /nfs/dbraw/zinc/59/70/63/1104597063.db2.gz HYAPDEONHNIBMR-HDJSIYSDSA-N 0 3 310.825 3.055 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001330709565 1104627338 /nfs/dbraw/zinc/62/73/38/1104627338.db2.gz WOIFWNCVGRNEFJ-JOCQHMNTSA-N 0 3 310.825 3.254 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3ccccc3C)CCC[C@H]12 ZINC001278459191 1104638860 /nfs/dbraw/zinc/63/88/60/1104638860.db2.gz IRBBHVVPRKVADC-FPOVZHCZSA-N 0 3 324.468 3.064 20 30 DGEDHN CCCCCCCN1CC2(C1)CN(C(=O)Nc1cccnc1)C2 ZINC001275131701 1104642034 /nfs/dbraw/zinc/64/20/34/1104642034.db2.gz WYEAFRAFZASIST-UHFFFAOYSA-N 0 3 316.449 3.202 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCNCc1nc(C)cs1 ZINC001330881525 1104668546 /nfs/dbraw/zinc/66/85/46/1104668546.db2.gz ABUVUHDYSJRIRB-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001275267709 1104697485 /nfs/dbraw/zinc/69/74/85/1104697485.db2.gz UDFBCPUWHABEGF-NSHDSACASA-N 0 3 312.816 3.286 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(C)cc1Cl ZINC001275267240 1104697714 /nfs/dbraw/zinc/69/77/14/1104697714.db2.gz PWDBSLKHAHIJHF-ZDUSSCGKSA-N 0 3 308.853 3.455 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)CCC1 ZINC001275482793 1104773344 /nfs/dbraw/zinc/77/33/44/1104773344.db2.gz VQUQPZAJWVANGI-ZWKOTPCHSA-N 0 3 324.468 3.267 20 30 DGEDHN C=CCOc1ccccc1CN1CC2(CCN2C2CCCC2)C1 ZINC001275708491 1104872378 /nfs/dbraw/zinc/87/23/78/1104872378.db2.gz YUKCHSCHVGKUME-UHFFFAOYSA-N 0 3 312.457 3.454 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1cc(C)no1 ZINC001275709141 1104874329 /nfs/dbraw/zinc/87/43/29/1104874329.db2.gz AHDDNDXTQIOIMX-SFHVURJKSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(CC)cc1 ZINC001247359355 1104877635 /nfs/dbraw/zinc/87/76/35/1104877635.db2.gz VGGLJEBKLTYBAQ-INIZCTEOSA-N 0 3 303.475 3.186 20 30 DGEDHN C=CCCCNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC001247729575 1104967413 /nfs/dbraw/zinc/96/74/13/1104967413.db2.gz KJRPJMGPLFCMMN-UHFFFAOYSA-N 0 3 309.523 3.023 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001276076815 1105009511 /nfs/dbraw/zinc/00/95/11/1105009511.db2.gz TUBJBKBRIVXJBI-KRWDZBQOSA-N 0 3 320.864 3.297 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1nc(C)c(C)s1 ZINC001276252825 1105063225 /nfs/dbraw/zinc/06/32/25/1105063225.db2.gz AEXSQUVWAJQMIK-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C[C@H](N[C@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1ccccc1F ZINC001490822915 1105079549 /nfs/dbraw/zinc/07/95/49/1105079549.db2.gz SAXYYCMVAHQMLK-GJZGRUSLSA-N 0 3 316.420 3.127 20 30 DGEDHN CC(C)(C)c1ccc(-c2noc([C@@H]3NC[C@H]4C[C@H]43)n2)c(C#N)c1 ZINC001248300749 1105092102 /nfs/dbraw/zinc/09/21/02/1105092102.db2.gz HUWPYDDZEGAKDN-KCPJHIHWSA-N 0 3 308.385 3.186 20 30 DGEDHN N#Cc1ccc(-c2noc([C@@H]3NC[C@H]4C[C@H]43)n2)c2ccccc12 ZINC001248300480 1105092150 /nfs/dbraw/zinc/09/21/50/1105092150.db2.gz CKGOHWYYNULPGA-HFBAOOFYSA-N 0 3 302.337 3.042 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)F)CCCC1)C2 ZINC001110942435 1105124269 /nfs/dbraw/zinc/12/42/69/1105124269.db2.gz LZKIDGZOQLPBCX-MCIONIFRSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccccc1)C2 ZINC001110973917 1105130575 /nfs/dbraw/zinc/13/05/75/1105130575.db2.gz FHJPQXRVZWXPLO-QRVBRYPASA-N 0 3 312.457 3.307 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CCC[C@@H](c2noc(C)n2)C1 ZINC001248748839 1105154452 /nfs/dbraw/zinc/15/44/52/1105154452.db2.gz XRQWFTHKKJUXJG-QGZVFWFLSA-N 0 3 310.401 3.192 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001248752352 1105155539 /nfs/dbraw/zinc/15/55/39/1105155539.db2.gz IVTRJKOLNJDQAO-INIZCTEOSA-N 0 3 306.356 3.121 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001248752981 1105156559 /nfs/dbraw/zinc/15/65/59/1105156559.db2.gz KMFIMBPDRXNJNZ-IBGZPJMESA-N 0 3 321.424 3.477 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccc4n3CCC4)C2)c1 ZINC001248824537 1105171919 /nfs/dbraw/zinc/17/19/19/1105171919.db2.gz RKHZYKMIOHAZNI-HXUWFJFHSA-N 0 3 321.424 3.349 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(Cl)ccc3C)no2)CCCN1 ZINC001249352211 1105272168 /nfs/dbraw/zinc/27/21/68/1105272168.db2.gz YOYUFAFFIRDECA-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(C)ccc3Cl)no2)CCCN1 ZINC001249352004 1105272516 /nfs/dbraw/zinc/27/25/16/1105272516.db2.gz RXHAXIAKQKVBRA-MRXNPFEDSA-N 0 3 301.777 3.300 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CCCN1 ZINC001249352587 1105272590 /nfs/dbraw/zinc/27/25/90/1105272590.db2.gz BSIUQVWBVLMDET-OAHLLOKOSA-N 0 3 321.302 3.357 20 30 DGEDHN Cc1nnc([C@H]2CCCN(Cc3cc4ccc(C#N)cc4[nH]3)C2)o1 ZINC001249430557 1105286672 /nfs/dbraw/zinc/28/66/72/1105286672.db2.gz XMSXUHZWPQFACM-HNNXBMFYSA-N 0 3 321.384 3.111 20 30 DGEDHN Cn1ccc(C2CCN(Cc3cc4ccc(C#N)cc4[nH]3)CC2)n1 ZINC001249430019 1105286841 /nfs/dbraw/zinc/28/68/41/1105286841.db2.gz AEADPZHODDPUIN-UHFFFAOYSA-N 0 3 319.412 3.153 20 30 DGEDHN Cc1cc(C#N)cc(C)c1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249558944 1105314860 /nfs/dbraw/zinc/31/48/60/1105314860.db2.gz NVVBFTNWTGRUPO-SFHVURJKSA-N 0 3 311.429 3.356 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H]1C ZINC001278526853 1105347814 /nfs/dbraw/zinc/34/78/14/1105347814.db2.gz NMYRZRZXAOUUBO-VXGBXAGGSA-N 0 3 306.372 3.120 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=C)C)c1ccccc1 ZINC001111443838 1105358580 /nfs/dbraw/zinc/35/85/80/1105358580.db2.gz YGLSDKSJFQQVHP-HCXYKTFWSA-N 0 3 310.441 3.254 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)[C@H]1C[C@@H]1C)Cc1ccccc1 ZINC001278539370 1105390006 /nfs/dbraw/zinc/39/00/06/1105390006.db2.gz NJRKVGBLNSMGIH-XKQJLSEDSA-N 0 3 320.864 3.102 20 30 DGEDHN C=CCCCC(=O)N1CC[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001278542918 1105403343 /nfs/dbraw/zinc/40/33/43/1105403343.db2.gz WSBWHRIQWVKSQJ-UZGISAJGSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(F)F)C2 ZINC001097581387 1105409753 /nfs/dbraw/zinc/40/97/53/1105409753.db2.gz YPNFNIXBSBPXTC-BARDWOONSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H]3C[C@@H]3CC1)C2 ZINC001097573634 1105409826 /nfs/dbraw/zinc/40/98/26/1105409826.db2.gz JHUROKQIIJWWQJ-HVKXIDHRSA-N 0 3 302.462 3.110 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ncccc31)C2 ZINC001097606112 1105414531 /nfs/dbraw/zinc/41/45/31/1105414531.db2.gz MBDJTNBDNDNISM-ZMYBRWDISA-N 0 3 321.424 3.146 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(Cl)c1)C2 ZINC001097773942 1105440847 /nfs/dbraw/zinc/44/08/47/1105440847.db2.gz IMKHMLRFLNKEDD-OIISXLGYSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cc(C)oc1C)C2 ZINC001098045901 1105536771 /nfs/dbraw/zinc/53/67/71/1105536771.db2.gz YFTUCPNNMAQQCP-NZPGVSJUSA-N 0 3 316.445 3.298 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC(CC1)CC3)C2 ZINC001098446849 1105576246 /nfs/dbraw/zinc/57/62/46/1105576246.db2.gz OSUYOYGGZPSZNN-CBYDULDESA-N 0 3 302.462 3.254 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3cccc(C)c3)CC1)C2 ZINC001098465998 1105577747 /nfs/dbraw/zinc/57/77/47/1105577747.db2.gz NMSDPEPNDZWHNX-QRVBRYPASA-N 0 3 324.468 3.324 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2F)C1 ZINC001098823144 1105606895 /nfs/dbraw/zinc/60/68/95/1105606895.db2.gz MRQOPPANPGRSLR-LRDDRELGSA-N 0 3 308.422 3.048 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOCC(C)C ZINC001098965881 1105619351 /nfs/dbraw/zinc/61/93/51/1105619351.db2.gz CGFWEJUNLLUQER-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cc3ccccc3o2)C1 ZINC001098967370 1105620283 /nfs/dbraw/zinc/62/02/83/1105620283.db2.gz UOCVMQLCJGKWHJ-JXFKEZNVSA-N 0 3 324.424 3.132 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001098974829 1105621102 /nfs/dbraw/zinc/62/11/02/1105621102.db2.gz AFVIKYDLZVQYGN-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(=O)C(C)(C)C ZINC001098989235 1105624240 /nfs/dbraw/zinc/62/42/40/1105624240.db2.gz VSHOLZKPSCZCJG-OAHLLOKOSA-N 0 3 322.493 3.175 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001099054057 1105635448 /nfs/dbraw/zinc/63/54/48/1105635448.db2.gz UDBONCSMODCTLS-KPFFTGBYSA-N 0 3 312.457 3.255 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001278632683 1105640805 /nfs/dbraw/zinc/64/08/05/1105640805.db2.gz USTWKZQUWJCHOW-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001278632686 1105640835 /nfs/dbraw/zinc/64/08/35/1105640835.db2.gz USTWKZQUWJCHOW-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099169792 1105653012 /nfs/dbraw/zinc/65/30/12/1105653012.db2.gz ADAWIXIQZIAPDF-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001099173807 1105653594 /nfs/dbraw/zinc/65/35/94/1105653594.db2.gz LESUZVUVZLZWND-ZWOKBUDYSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001099179749 1105654979 /nfs/dbraw/zinc/65/49/79/1105654979.db2.gz UMMKNSJRCXNPIR-FCEWJHQRSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC ZINC001099418877 1105678215 /nfs/dbraw/zinc/67/82/15/1105678215.db2.gz OFHIONXWEXOHMO-JJXSEGSLSA-N 0 3 310.869 3.098 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001491023059 1105737837 /nfs/dbraw/zinc/73/78/37/1105737837.db2.gz LPSSUAQURZLSKV-SOUVJXGZSA-N 0 3 304.409 3.480 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001252126187 1105745004 /nfs/dbraw/zinc/74/50/04/1105745004.db2.gz MODRACPNVMBSJU-HOTGVXAUSA-N 0 3 311.491 3.372 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC001252124288 1105745409 /nfs/dbraw/zinc/74/54/09/1105745409.db2.gz QKLAGYGIDNMTAA-HUUCEWRRSA-N 0 3 307.425 3.047 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCc1cncc(C(=O)OC)c1 ZINC001252138770 1105748813 /nfs/dbraw/zinc/74/88/13/1105748813.db2.gz DHFLNYFMGGDQGD-QGZVFWFLSA-N 0 3 322.449 3.069 20 30 DGEDHN C=CCOC[C@H](O)CN1CCC(c2ccccc2Cl)CC1 ZINC001252471304 1105781121 /nfs/dbraw/zinc/78/11/21/1105781121.db2.gz VUDPMPFOLOYZDM-OAHLLOKOSA-N 0 3 309.837 3.083 20 30 DGEDHN C=CCOC[C@H](O)CNCc1c(Cl)cccc1C(F)(F)F ZINC001252486611 1105783930 /nfs/dbraw/zinc/78/39/30/1105783930.db2.gz FQFWGGPHXCQPSU-SNVBAGLBSA-N 0 3 323.742 3.012 20 30 DGEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001491238001 1105785074 /nfs/dbraw/zinc/78/50/74/1105785074.db2.gz XTNBWKPYGHQWGM-AWEZNQCLSA-N 0 3 321.490 3.256 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001491231077 1105785363 /nfs/dbraw/zinc/78/53/63/1105785363.db2.gz RAVSRIXXIOPCTK-MSOLQXFVSA-N 0 3 322.468 3.289 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)NC[C@@H](O)COCCCC ZINC001252533668 1105790624 /nfs/dbraw/zinc/79/06/24/1105790624.db2.gz HGPYYJLEPJFUPY-HZPDHXFCSA-N 0 3 307.434 3.080 20 30 DGEDHN C=C[C@](C)(O)CN1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001252554698 1105793256 /nfs/dbraw/zinc/79/32/56/1105793256.db2.gz KADXJSAUWMRMTE-PBHICJAKSA-N 0 3 309.837 3.429 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C)CCCCCC2)C1 ZINC001491286466 1105799031 /nfs/dbraw/zinc/79/90/31/1105799031.db2.gz KDFQFJMXXCCJNF-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCCC(C)(C)C)C1 ZINC001491288409 1105799053 /nfs/dbraw/zinc/79/90/53/1105799053.db2.gz UDWDJLORKHEOHW-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001252602368 1105800987 /nfs/dbraw/zinc/80/09/87/1105800987.db2.gz RIJYTSAHTRBCBS-OAQYLSRUSA-N 0 3 324.468 3.285 20 30 DGEDHN C=CCC[C@@H](O)CN1CCSC[C@H]1c1cccc(OC)c1 ZINC001252604412 1105801433 /nfs/dbraw/zinc/80/14/33/1105801433.db2.gz RXWCXYDOOJGVNC-WBVHZDCISA-N 0 3 307.459 3.112 20 30 DGEDHN C=CCC[C@H](O)CNCc1cc(-c2cccc(Cl)c2)no1 ZINC001252620592 1105805720 /nfs/dbraw/zinc/80/57/20/1105805720.db2.gz MMEUGQYAELVHHT-AWEZNQCLSA-N 0 3 306.793 3.412 20 30 DGEDHN CC(C)(C)C#CCNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252769769 1105828822 /nfs/dbraw/zinc/82/88/22/1105828822.db2.gz SCURDXNRMOCVBV-QGZVFWFLSA-N 0 3 317.473 3.363 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001495672955 1105831318 /nfs/dbraw/zinc/83/13/18/1105831318.db2.gz LXXAYTNVXGVUJA-CYBMUJFWSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001100766869 1105845283 /nfs/dbraw/zinc/84/52/83/1105845283.db2.gz BAJULEASBIAYSQ-IYXRBSQSSA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001100915696 1105865648 /nfs/dbraw/zinc/86/56/48/1105865648.db2.gz CJCQGHVAZIRXPE-LMWSTFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](C)c2ccccc2)C1 ZINC001100945486 1105869582 /nfs/dbraw/zinc/86/95/82/1105869582.db2.gz VNBQVBRMEFSIDF-KTAKPFMOSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C[C@@H](C(=O)NCC1CC(NCC(=C)Cl)C1)c1ccccc1 ZINC001101016974 1105876401 /nfs/dbraw/zinc/87/64/01/1105876401.db2.gz NTKGGPCAAGNWFK-BDVYOWHSSA-N 0 3 318.848 3.193 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCC(C)(C)C)C[C@]2(C)C1 ZINC001101246634 1105903290 /nfs/dbraw/zinc/90/32/90/1105903290.db2.gz XUBKKLGEFAMJCJ-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CCCCC)C[C@]2(C)C1 ZINC001101383398 1105915349 /nfs/dbraw/zinc/91/53/49/1105915349.db2.gz GOUKWOHRZBBLBH-GGPKGHCWSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCCCCCC[C@H](O)CNCC(=O)NCC ZINC001253565621 1105960176 /nfs/dbraw/zinc/96/01/76/1105960176.db2.gz QUCWVLKUQWKFDL-KRWDZBQOSA-N 0 3 314.514 3.384 20 30 DGEDHN N#CCOc1ccc(CNCc2ccccc2N2CCCC2)cc1 ZINC001254183728 1106030224 /nfs/dbraw/zinc/03/02/24/1106030224.db2.gz DXMDWQLQEMFRLA-UHFFFAOYSA-N 0 3 321.424 3.479 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@H](N2CCC(C)(C#N)CC2)C1 ZINC001254206892 1106035171 /nfs/dbraw/zinc/03/51/71/1106035171.db2.gz XTQXPEJEYKTZET-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)C)C1 ZINC001102666074 1106092847 /nfs/dbraw/zinc/09/28/47/1106092847.db2.gz GTUIIJMKOJKNSL-TZMCWYRMSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)C(C)C)C1 ZINC001102766030 1106103616 /nfs/dbraw/zinc/10/36/16/1106103616.db2.gz OHVRTBWSWFZXHQ-IIAWOOMASA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc[nH]c2CC)C1 ZINC001102939510 1106120204 /nfs/dbraw/zinc/12/02/04/1106120204.db2.gz MNGDAJVSHBRHCR-TZMCWYRMSA-N 0 3 323.868 3.017 20 30 DGEDHN CC(C)(C)OC(=O)Nc1ccc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC001254646010 1106120858 /nfs/dbraw/zinc/12/08/58/1106120858.db2.gz ITJUCMGATLGAKE-JSGCOSHPSA-N 0 3 316.405 3.210 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]12CCCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254660463 1106126377 /nfs/dbraw/zinc/12/63/77/1106126377.db2.gz IFWBZLRWSQHVGV-RKVPGOIHSA-N 0 3 319.449 3.154 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@]1(C)CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254660916 1106126574 /nfs/dbraw/zinc/12/65/74/1106126574.db2.gz NFHBROUOAFTQJV-CPUCHLNUSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]12CCCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254660459 1106126720 /nfs/dbraw/zinc/12/67/20/1106126720.db2.gz IFWBZLRWSQHVGV-DAYGRLMNSA-N 0 3 319.449 3.154 20 30 DGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254661420 1106126841 /nfs/dbraw/zinc/12/68/41/1106126841.db2.gz SVWQSPRMSYLYNF-KFWWJZLASA-N 0 3 307.438 3.010 20 30 DGEDHN CCCN(CCC#N)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254983830 1106162601 /nfs/dbraw/zinc/16/26/01/1106162601.db2.gz WPOLANGWTXIOOX-XHSDSOJGSA-N 0 3 321.465 3.400 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2ccccc2)C1 ZINC001103153001 1106165886 /nfs/dbraw/zinc/16/58/86/1106165886.db2.gz AZMXEALLZSXKDK-RHSMWYFYSA-N 0 3 320.864 3.056 20 30 DGEDHN C=C[C@@H](COC)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001255019902 1106167881 /nfs/dbraw/zinc/16/78/81/1106167881.db2.gz VOZQTAGAIXVBJY-FZMZJTMJSA-N 0 3 301.308 3.363 20 30 DGEDHN CC[C@@H](CC#N)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001255154760 1106193210 /nfs/dbraw/zinc/19/32/10/1106193210.db2.gz GSEKEIUZQYQGSU-GJZGRUSLSA-N 0 3 309.454 3.305 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001255160346 1106194341 /nfs/dbraw/zinc/19/43/41/1106194341.db2.gz ITHHKYJHXBRPFA-MRXNPFEDSA-N 0 3 319.424 3.081 20 30 DGEDHN CCCCN(CCC#N)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255206508 1106205220 /nfs/dbraw/zinc/20/52/20/1106205220.db2.gz COYXVVGTTKMFGS-ZSHCYNCHSA-N 0 3 307.438 3.154 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H](C)Cc2ccc(F)cc2)C1 ZINC001255880803 1106338219 /nfs/dbraw/zinc/33/82/19/1106338219.db2.gz WAXNBZYDLJTDCI-WMLDXEAASA-N 0 3 320.408 3.133 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)c1ccc(C)o1)C(C)C ZINC001278922010 1106395537 /nfs/dbraw/zinc/39/55/37/1106395537.db2.gz FHUYXFSTQHCIJL-INIZCTEOSA-N 0 3 306.450 3.436 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2cccnc2c1)C(C)C ZINC001278922037 1106396016 /nfs/dbraw/zinc/39/60/16/1106396016.db2.gz GCOFSKAMSIHSNM-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN CCCN(CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256479903 1106428478 /nfs/dbraw/zinc/42/84/78/1106428478.db2.gz KUVSZBSPBLYNHN-GJZGRUSLSA-N 0 3 309.454 3.400 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)/C=C(/C)C1CC1)c1ccccc1CC ZINC001278969688 1106498662 /nfs/dbraw/zinc/49/86/62/1106498662.db2.gz OLVNVHCZYPRXBD-HZMYXVCSSA-N 0 3 324.468 3.376 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1CC1(F)F)c1ccccc1CC ZINC001278970165 1106500035 /nfs/dbraw/zinc/50/00/35/1106500035.db2.gz XPZFEQRIZKVUPH-CVEARBPZSA-N 0 3 322.399 3.227 20 30 DGEDHN CCOC(=O)C1CN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257020578 1106525382 /nfs/dbraw/zinc/52/53/82/1106525382.db2.gz HCAUBUJNLVIZNK-UHFFFAOYSA-N 0 3 312.413 3.079 20 30 DGEDHN CC[C@H]1C[C@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257115984 1106541026 /nfs/dbraw/zinc/54/10/26/1106541026.db2.gz HAKTYBRTQMMBQK-KGLIPLIRSA-N 0 3 307.438 3.058 20 30 DGEDHN C=CCCCC(=O)N[C@H](CNCc1cc(C)ns1)C(C)(C)C ZINC001278995942 1106545428 /nfs/dbraw/zinc/54/54/28/1106545428.db2.gz PJIQPBNNAZRIJA-OAHLLOKOSA-N 0 3 323.506 3.428 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](CNCc1cnoc1C)C(C)(C)C ZINC001278996352 1106545835 /nfs/dbraw/zinc/54/58/35/1106545835.db2.gz WJDKSQDSPDLLLG-GOEBONIOSA-N 0 3 321.465 3.206 20 30 DGEDHN CC(C)[C@@H]1C[C@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257177466 1106548413 /nfs/dbraw/zinc/54/84/13/1106548413.db2.gz BQXQDBOTBRUJCO-ZNMIVQPWSA-N 0 3 309.454 3.302 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257177179 1106549120 /nfs/dbraw/zinc/54/91/20/1106549120.db2.gz XJKXPLLFJNLANN-GJZGRUSLSA-N 0 3 321.465 3.304 20 30 DGEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257574656 1106608443 /nfs/dbraw/zinc/60/84/43/1106608443.db2.gz QEBLOICINSXRNH-QDMKHBRRSA-N 0 3 321.465 3.446 20 30 DGEDHN CC[C@H](CC#N)NC1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257577903 1106609017 /nfs/dbraw/zinc/60/90/17/1106609017.db2.gz FXMPRQIRSRJURS-MELADBBJSA-N 0 3 309.454 3.445 20 30 DGEDHN N#Cc1ccc(CN[C@H]2COc3ccc(Cl)cc3C2)s1 ZINC001257954589 1106650479 /nfs/dbraw/zinc/65/04/79/1106650479.db2.gz OQEJUBMLNKIAJL-GFCCVEGCSA-N 0 3 304.802 3.366 20 30 DGEDHN CCCCCCCCC[C@@H](C)N1CC(N2CCN(C)CC2)C1 ZINC001258232309 1106702287 /nfs/dbraw/zinc/70/22/87/1106702287.db2.gz JMKJJHAQKZRHRH-GOSISDBHSA-N 0 3 309.542 3.447 20 30 DGEDHN Cc1cc(NCC(C)(C)CCC#N)ccc1N1CCN(C)CC1 ZINC001319973787 1106749311 /nfs/dbraw/zinc/74/93/11/1106749311.db2.gz VRHWGWVKAGJCQQ-UHFFFAOYSA-N 0 3 314.477 3.489 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001320031848 1106799181 /nfs/dbraw/zinc/79/91/81/1106799181.db2.gz AGLQNMWYHJRSKX-UHFFFAOYSA-N 0 3 313.445 3.365 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@H](C)c1cccc(OC)c1 ZINC001320034265 1106800669 /nfs/dbraw/zinc/80/06/69/1106800669.db2.gz QVKWSVLQZZMCCT-OAHLLOKOSA-N 0 3 318.461 3.359 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001316949817 1106815562 /nfs/dbraw/zinc/81/55/62/1106815562.db2.gz AIWKSRWHUSCIBN-AWEZNQCLSA-N 0 3 314.420 3.215 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CCC2)CC1(C)C ZINC001258547526 1106818498 /nfs/dbraw/zinc/81/84/98/1106818498.db2.gz QBFTXJQSIKSEAI-CQSZACIVSA-N 0 3 321.465 3.448 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(Cl)c2occc21 ZINC001320069536 1106841693 /nfs/dbraw/zinc/84/16/93/1106841693.db2.gz XTWAJFCDDLSRHY-UHFFFAOYSA-N 0 3 306.793 3.276 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001316985695 1106850989 /nfs/dbraw/zinc/85/09/89/1106850989.db2.gz MJQGSLKMIFPVRO-SFHVURJKSA-N 0 3 323.440 3.282 20 30 DGEDHN C=CCOCCN(C)CCN(C)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001320090198 1106861384 /nfs/dbraw/zinc/86/13/84/1106861384.db2.gz KCQRHGNFKGHFJD-IBGZPJMESA-N 0 3 322.493 3.106 20 30 DGEDHN C=CCOCCN(C)CCN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001320090199 1106861794 /nfs/dbraw/zinc/86/17/94/1106861794.db2.gz KCQRHGNFKGHFJD-LJQANCHMSA-N 0 3 322.493 3.106 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2ccccc2F)C1 ZINC001320098502 1106869374 /nfs/dbraw/zinc/86/93/74/1106869374.db2.gz RTQVOXDTYNLLRK-AEFFLSMTSA-N 0 3 316.420 3.215 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001317006138 1106889956 /nfs/dbraw/zinc/88/99/56/1106889956.db2.gz ISORANRGBQVGGW-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001317007387 1106890581 /nfs/dbraw/zinc/89/05/81/1106890581.db2.gz YSKGADCYERURDP-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001317006135 1106891186 /nfs/dbraw/zinc/89/11/86/1106891186.db2.gz ISORANRGBQVGGW-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCC[C@@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001258728420 1106933743 /nfs/dbraw/zinc/93/37/43/1106933743.db2.gz OTFAKRFWFHWGJE-HZPDHXFCSA-N 0 3 304.482 3.455 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001317044713 1106944355 /nfs/dbraw/zinc/94/43/55/1106944355.db2.gz VHTHCRROOXNREG-HRCADAONSA-N 0 3 314.429 3.036 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001317044713 1106944361 /nfs/dbraw/zinc/94/43/61/1106944361.db2.gz VHTHCRROOXNREG-HRCADAONSA-N 0 3 314.429 3.036 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001317084600 1106979186 /nfs/dbraw/zinc/97/91/86/1106979186.db2.gz RIJCCEFWHFCIDR-RBSFLKMASA-N 0 3 304.409 3.480 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001317084370 1106979605 /nfs/dbraw/zinc/97/96/05/1106979605.db2.gz JKUCYCAGIXYSML-QAQDUYKDSA-N 0 3 315.461 3.298 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001317118149 1107011021 /nfs/dbraw/zinc/01/10/21/1107011021.db2.gz ONWGKFSMWGXEHL-OKILXGFUSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001317123177 1107019722 /nfs/dbraw/zinc/01/97/22/1107019722.db2.gz VXTNUXYJIJEEJH-OKILXGFUSA-N 0 3 321.490 3.099 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cccc(Cl)c1 ZINC001317180016 1107100874 /nfs/dbraw/zinc/10/08/74/1107100874.db2.gz ZTFPCUPDADHEHX-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001317237339 1107161664 /nfs/dbraw/zinc/16/16/64/1107161664.db2.gz XLEXOAGXKMSIAE-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)c1ccccc1C(C)(C)CC ZINC001317248272 1107172652 /nfs/dbraw/zinc/17/26/52/1107172652.db2.gz RTJPEIGYJJGNIH-OAHLLOKOSA-N 0 3 300.446 3.105 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2ccc(F)c(F)c2)CC1 ZINC001317263521 1107183766 /nfs/dbraw/zinc/18/37/66/1107183766.db2.gz DUKRFSUPSMMTPA-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@H](C)NCc1cccnc1)c1ccccc1 ZINC001317294270 1107215901 /nfs/dbraw/zinc/21/59/01/1107215901.db2.gz KCRBULNAAPWSHL-FUHWJXTLSA-N 0 3 323.440 3.036 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001317297698 1107217920 /nfs/dbraw/zinc/21/79/20/1107217920.db2.gz GZAGFYWZPBCGCN-KRWDZBQOSA-N 0 3 316.420 3.018 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001317367766 1107270325 /nfs/dbraw/zinc/27/03/25/1107270325.db2.gz ASIJYEGYXULECY-UHFFFAOYSA-N 0 3 308.853 3.234 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCCC2CCCCC2)C1 ZINC001317380470 1107288411 /nfs/dbraw/zinc/28/84/11/1107288411.db2.gz BUYLVLJAJNPTMU-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001317405374 1107324648 /nfs/dbraw/zinc/32/46/48/1107324648.db2.gz JGOPTWSZPRHHFW-KXBFYZLASA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001317408197 1107327765 /nfs/dbraw/zinc/32/77/65/1107327765.db2.gz LVKWTHYWZZLIGF-BMFZPTHFSA-N 0 3 306.837 3.027 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1(C2CC2)CC1 ZINC001317424172 1107349475 /nfs/dbraw/zinc/34/94/75/1107349475.db2.gz OPKNRNVSLRSOII-HNNXBMFYSA-N 0 3 310.869 3.290 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001317444431 1107386547 /nfs/dbraw/zinc/38/65/47/1107386547.db2.gz SCZNOCHWRFSBCZ-QGZVFWFLSA-N 0 3 318.848 3.035 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001317530100 1107493765 /nfs/dbraw/zinc/49/37/65/1107493765.db2.gz TVGKMIZPOUCKLV-ROUUACIJSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccc2c(c1)CCC2 ZINC001322120622 1107526454 /nfs/dbraw/zinc/52/64/54/1107526454.db2.gz IWYUKBLLFAWXMW-HNNXBMFYSA-N 0 3 300.446 3.078 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc(C(C)(C)C)c1)C1CC1 ZINC001317558215 1107537596 /nfs/dbraw/zinc/53/75/96/1107537596.db2.gz QQWDEVHYJOSGLN-UHFFFAOYSA-N 0 3 300.446 3.364 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1C[C@@]12CCc1ccccc12)C1CC1 ZINC001317558825 1107539180 /nfs/dbraw/zinc/53/91/80/1107539180.db2.gz MWNGYKZCWCRREV-TZIWHRDSSA-N 0 3 324.468 3.047 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC001261829372 1107539172 /nfs/dbraw/zinc/53/91/72/1107539172.db2.gz NUOMGQSKHPAVND-INIZCTEOSA-N 0 3 303.402 3.013 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1[nH]c2ccccc2c1Cl ZINC001322197498 1107564591 /nfs/dbraw/zinc/56/45/91/1107564591.db2.gz UXGLUKBCIZUQOV-NSHDSACASA-N 0 3 305.809 3.057 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)C/C=C\c2ccccc2)C1 ZINC001322243659 1107588373 /nfs/dbraw/zinc/58/83/73/1107588373.db2.gz HCFYTTJXPVHVOX-SDMNGIDPSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC001317723051 1107622922 /nfs/dbraw/zinc/62/29/22/1107622922.db2.gz CMMZYGIJEBLBPT-BRWVUGGUSA-N 0 3 310.397 3.016 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001317722755 1107623298 /nfs/dbraw/zinc/62/32/98/1107623298.db2.gz ZMQOEEZRZMGGAT-HZPDHXFCSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC001317725266 1107624647 /nfs/dbraw/zinc/62/46/47/1107624647.db2.gz RFPKIXQSPBTFOG-SJORKVTESA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)c1ccccc1 ZINC001317726871 1107625326 /nfs/dbraw/zinc/62/53/26/1107625326.db2.gz FEZHSTVLKGYBEP-IBGZPJMESA-N 0 3 323.440 3.140 20 30 DGEDHN Cc1cc(N[C@H](C)CC(C)(C)C#N)ccc1N1CCN(C)CC1 ZINC001262353906 1107684936 /nfs/dbraw/zinc/68/49/36/1107684936.db2.gz QKVZIZKZZDUFOT-MRXNPFEDSA-N 0 3 314.477 3.487 20 30 DGEDHN N#CCC[C@H](C#N)CNC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001262569757 1107725142 /nfs/dbraw/zinc/72/51/42/1107725142.db2.gz FXLKPVSICYEQPZ-HUUCEWRRSA-N 0 3 316.836 3.199 20 30 DGEDHN C=C(C)CCC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC001262623645 1107747501 /nfs/dbraw/zinc/74/75/01/1107747501.db2.gz JOOBDNPBQJKOGH-QGZVFWFLSA-N 0 3 324.509 3.063 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ocnc2C)C1 ZINC001317964850 1107773653 /nfs/dbraw/zinc/77/36/53/1107773653.db2.gz WFQKTLFETVXMQL-HNNXBMFYSA-N 0 3 307.438 3.148 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001317984969 1107782863 /nfs/dbraw/zinc/78/28/63/1107782863.db2.gz JYLHGMWXMIPUSZ-ROUUACIJSA-N 0 3 304.478 3.363 20 30 DGEDHN C#CCN(Cc1ccc(SC(=O)N(C)C)cc1)CC1CC1 ZINC001322948310 1107785263 /nfs/dbraw/zinc/78/52/63/1107785263.db2.gz IPJAUWBGQWPXHL-UHFFFAOYSA-N 0 3 302.443 3.306 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1sccc1Cl)C1CC1 ZINC001322968863 1107792014 /nfs/dbraw/zinc/79/20/14/1107792014.db2.gz GIZUDSMPERWJNO-CYBMUJFWSA-N 0 3 312.866 3.352 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001323047781 1107815605 /nfs/dbraw/zinc/81/56/05/1107815605.db2.gz PETSTGMKPSWZOD-MRXNPFEDSA-N 0 3 304.409 3.022 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1scnc1C)C1CC1 ZINC001323064088 1107821190 /nfs/dbraw/zinc/82/11/90/1107821190.db2.gz OSWQTXWRYXXNCB-RHSMWYFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001318148443 1107862225 /nfs/dbraw/zinc/86/22/25/1107862225.db2.gz HTIAXRZWCYWLLM-MRXNPFEDSA-N 0 3 300.446 3.460 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001323245513 1107903056 /nfs/dbraw/zinc/90/30/56/1107903056.db2.gz GHNYUEZTNSMLGO-GOSISDBHSA-N 0 3 312.457 3.166 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001323258298 1107904663 /nfs/dbraw/zinc/90/46/63/1107904663.db2.gz IESICMIWLAYCEK-HNNXBMFYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)c1 ZINC001318219544 1107906151 /nfs/dbraw/zinc/90/61/51/1107906151.db2.gz ICEPTFURHAQLGY-ROUUACIJSA-N 0 3 313.445 3.035 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC ZINC001318228263 1107907414 /nfs/dbraw/zinc/90/74/14/1107907414.db2.gz GYDCJHGEWOIANW-IRXDYDNUSA-N 0 3 317.477 3.377 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001318255743 1107916583 /nfs/dbraw/zinc/91/65/83/1107916583.db2.gz VEUBURQBJJSWGF-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001318276458 1107926174 /nfs/dbraw/zinc/92/61/74/1107926174.db2.gz NQVFIHSKSRYBSW-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC001263079026 1107934720 /nfs/dbraw/zinc/93/47/20/1107934720.db2.gz CRAVYVZTLYNUTR-QWHCGFSZSA-N 0 3 317.458 3.027 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001323350607 1107946152 /nfs/dbraw/zinc/94/61/52/1107946152.db2.gz GCWZSYDCJVMPGA-CVEARBPZSA-N 0 3 303.450 3.228 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001318334266 1107948921 /nfs/dbraw/zinc/94/89/21/1107948921.db2.gz UJBDWEOVUKRTET-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001323358542 1107951020 /nfs/dbraw/zinc/95/10/20/1107951020.db2.gz VIWNNXBXWIDRGZ-SFHVURJKSA-N 0 3 312.457 3.183 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC001263164848 1107963577 /nfs/dbraw/zinc/96/35/77/1107963577.db2.gz JIDJIONWFZJPNE-AWEZNQCLSA-N 0 3 318.808 3.352 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001318427379 1107998843 /nfs/dbraw/zinc/99/88/43/1107998843.db2.gz DYIXMMLVPKHAOC-RDJZCZTQSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001318428645 1107999154 /nfs/dbraw/zinc/99/91/54/1107999154.db2.gz LNLVRFSWQLMXBA-KRWDZBQOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccccc2F)C1 ZINC001318437615 1108003111 /nfs/dbraw/zinc/00/31/11/1108003111.db2.gz RJBUMQCSKVBVIX-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC001263294745 1108003634 /nfs/dbraw/zinc/00/36/34/1108003634.db2.gz GOUDWTCHOYPXNR-IJEWVQPXSA-N 0 3 316.376 3.425 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](CC)c2ccccc2)C1 ZINC001318441815 1108006658 /nfs/dbraw/zinc/00/66/58/1108006658.db2.gz IOFKGCVOVZUZIP-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN C#CCOCCN(C)Cc1cccc(SC(F)(F)F)c1 ZINC001323611968 1108029236 /nfs/dbraw/zinc/02/92/36/1108029236.db2.gz HGAGZGXXTOSNAD-UHFFFAOYSA-N 0 3 303.349 3.380 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001318472132 1108033775 /nfs/dbraw/zinc/03/37/75/1108033775.db2.gz WGTGTEIYKVZUTH-FQEVSTJZSA-N 0 3 324.468 3.140 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001318471915 1108035004 /nfs/dbraw/zinc/03/50/04/1108035004.db2.gz GFUZEOFGDZGXAI-QWNKOJSDSA-N 0 3 316.420 3.338 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C2)CC1 ZINC001323834852 1108099099 /nfs/dbraw/zinc/09/90/99/1108099099.db2.gz DYWDIYCQIWEBCI-SJORKVTESA-N 0 3 318.505 3.252 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cc(Cl)cs1 ZINC001263616837 1108111921 /nfs/dbraw/zinc/11/19/21/1108111921.db2.gz KIICVSLHYHTLGK-GFCCVEGCSA-N 0 3 307.806 3.427 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(C)cc1F)C1CC1 ZINC001318720001 1108166910 /nfs/dbraw/zinc/16/69/10/1108166910.db2.gz QOVANNBBBUCTDR-KRWDZBQOSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CCC=CCC1)C1CC1 ZINC001318725620 1108168724 /nfs/dbraw/zinc/16/87/24/1108168724.db2.gz CMPPCWFSBRFNJM-KRWDZBQOSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1c(C)cccc1Cl ZINC001263802572 1108206915 /nfs/dbraw/zinc/20/69/15/1108206915.db2.gz QAOGLHXXMXNMRF-OAHLLOKOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCc1ncccc1C ZINC001324236004 1108217535 /nfs/dbraw/zinc/21/75/35/1108217535.db2.gz NFPZPYHIFASBQN-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)(F)F ZINC001263819529 1108230303 /nfs/dbraw/zinc/23/03/03/1108230303.db2.gz WBYKQMNLUCTGEG-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001263856729 1108262172 /nfs/dbraw/zinc/26/21/72/1108262172.db2.gz ASSMDIZDKIRGMS-UMVBOHGHSA-N 0 3 322.399 3.476 20 30 DGEDHN C#CCN(C(=O)[C@H]1CCC1(C)C)C1CCN(CC=C(C)C)CC1 ZINC001324414377 1108278930 /nfs/dbraw/zinc/27/89/30/1108278930.db2.gz XDNKZEIUIOJMJZ-GOSISDBHSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001324413342 1108279163 /nfs/dbraw/zinc/27/91/63/1108279163.db2.gz LEIZMVUJYWPSIK-QZTJIDSGSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCNC[C@H](NC(=O)CC1CC1)c1ccc2ccccc2c1 ZINC001324442069 1108289464 /nfs/dbraw/zinc/28/94/64/1108289464.db2.gz VRZCJASGVYATRN-IBGZPJMESA-N 0 3 306.409 3.020 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC001324522409 1108328942 /nfs/dbraw/zinc/32/89/42/1108328942.db2.gz XZWWHOZVQGZAAF-MSOLQXFVSA-N 0 3 316.420 3.357 20 30 DGEDHN C#CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC=C)CCCCC1 ZINC001324549327 1108338327 /nfs/dbraw/zinc/33/83/27/1108338327.db2.gz LRUPGRFICNETDF-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCC(F)F)C1 ZINC001264120564 1108384105 /nfs/dbraw/zinc/38/41/05/1108384105.db2.gz MXFUOXHQZWIKNY-GFCCVEGCSA-N 0 3 308.800 3.145 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCOc2ccccc2)[C@H]1C ZINC001264172248 1108410890 /nfs/dbraw/zinc/41/08/90/1108410890.db2.gz SMAIAKLFEYJDFF-AEFFLSMTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 ZINC001264187017 1108422374 /nfs/dbraw/zinc/42/23/74/1108422374.db2.gz BKAMAHJUPHATFL-IBGZPJMESA-N 0 3 312.457 3.288 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001264368501 1108476288 /nfs/dbraw/zinc/47/62/88/1108476288.db2.gz GOMLBURCYVMFCG-IBGZPJMESA-N 0 3 312.457 3.221 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001264370606 1108479111 /nfs/dbraw/zinc/47/91/11/1108479111.db2.gz GWMXGSOUHSTLOW-ICSRJNTNSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2coc3c2cccc3C)CC1 ZINC001324870231 1108490998 /nfs/dbraw/zinc/49/09/98/1108490998.db2.gz WNIRINYIEFEPPD-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001264378788 1108491432 /nfs/dbraw/zinc/49/14/32/1108491432.db2.gz QZBPKBTVRMZKTD-IUODEOHRSA-N 0 3 321.490 3.261 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@@H]1CC=CCC1 ZINC001319509147 1108498337 /nfs/dbraw/zinc/49/83/37/1108498337.db2.gz DXUIIAVFQDOYOS-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001324897606 1108499504 /nfs/dbraw/zinc/49/95/04/1108499504.db2.gz PLXUOXDIBYYQLH-QGZVFWFLSA-N 0 3 322.468 3.146 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCc2cc(C)ns2)CC1 ZINC001319525733 1108507223 /nfs/dbraw/zinc/50/72/23/1108507223.db2.gz QGNWIAAJXHVKQU-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001325049141 1108569037 /nfs/dbraw/zinc/56/90/37/1108569037.db2.gz BFUBPDHAFHYCLA-OAHLLOKOSA-N 0 3 314.420 3.237 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)[C@H]21 ZINC001264586399 1108580256 /nfs/dbraw/zinc/58/02/56/1108580256.db2.gz PBRWQALOSJYAHH-OIISXLGYSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCCC(C)C)C(C)(C)[C@H]21 ZINC001264586946 1108581716 /nfs/dbraw/zinc/58/17/16/1108581716.db2.gz VZFFYSDYEQCBNY-NEWSRXKRSA-N 0 3 318.505 3.441 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC3CCC3)C(C)(C)[C@H]21 ZINC001264587212 1108581991 /nfs/dbraw/zinc/58/19/91/1108581991.db2.gz YRSCZHVHVKRWNH-QRQLOZEOSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@@H]1CC ZINC001264608386 1108594171 /nfs/dbraw/zinc/59/41/71/1108594171.db2.gz BNDHOBUHIDKHOL-ZWKOTPCHSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(Cl)cc2)[C@H]1C ZINC001264712478 1108629327 /nfs/dbraw/zinc/62/93/27/1108629327.db2.gz FFOBFQSUWGFGRF-CJNGLKHVSA-N 0 3 306.837 3.038 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](CCC)c1ccccc1 ZINC001265066174 1108717197 /nfs/dbraw/zinc/71/71/97/1108717197.db2.gz JMPSFUCGIQPDHM-GOSISDBHSA-N 0 3 300.446 3.032 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001265079593 1108723472 /nfs/dbraw/zinc/72/34/72/1108723472.db2.gz KRUPQVLFGSGHBO-QUCCMNQESA-N 0 3 324.468 3.364 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H](C)c1ccc(Cl)s1)C1CC1 ZINC001265179628 1108761016 /nfs/dbraw/zinc/76/10/16/1108761016.db2.gz GIWSFCVFCNDPJA-GFCCVEGCSA-N 0 3 324.877 3.109 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001265201766 1108772259 /nfs/dbraw/zinc/77/22/59/1108772259.db2.gz VMYWBXVLMSQMRL-OAHLLOKOSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cncs2)C1 ZINC001265205098 1108775793 /nfs/dbraw/zinc/77/57/93/1108775793.db2.gz CBXGZASYLFGOLQ-AWEZNQCLSA-N 0 3 307.463 3.084 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001265213731 1108781800 /nfs/dbraw/zinc/78/18/00/1108781800.db2.gz XQYIPDYYYQDNKV-KRWDZBQOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001265229505 1108791558 /nfs/dbraw/zinc/79/15/58/1108791558.db2.gz ZBMRYHSOUSKZDI-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001265297563 1108810163 /nfs/dbraw/zinc/81/01/63/1108810163.db2.gz TUWIQLXKTYIKEF-GOSISDBHSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C(CC)(CC)CC)CC1 ZINC001265334307 1108830330 /nfs/dbraw/zinc/83/03/30/1108830330.db2.gz ONWGRDFJAWNPLV-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001265411490 1108866090 /nfs/dbraw/zinc/86/60/90/1108866090.db2.gz MEYRLQSDJBXLIP-ZACQAIPSSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001265443167 1108872894 /nfs/dbraw/zinc/87/28/94/1108872894.db2.gz RUFRRTLBUJHEDX-DYVFJYSZSA-N 0 3 322.399 3.258 20 30 DGEDHN C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001265566721 1108912154 /nfs/dbraw/zinc/91/21/54/1108912154.db2.gz LFKZRFNFPIXCPH-IXXJFMHHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccc(C)c(C)c1 ZINC001265658207 1108954054 /nfs/dbraw/zinc/95/40/54/1108954054.db2.gz UBRUPGLZJHALRF-IBGZPJMESA-N 0 3 314.473 3.393 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001265788262 1109003968 /nfs/dbraw/zinc/00/39/68/1109003968.db2.gz IXDGCMNDWKCZBB-OAHLLOKOSA-N 0 3 300.446 3.105 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1[nH]c(C)cc1C ZINC001265996614 1109059616 /nfs/dbraw/zinc/05/96/16/1109059616.db2.gz GJTQGNFTENTPDE-CABCVRRESA-N 0 3 323.868 3.357 20 30 DGEDHN CC#CCN(CCCNC(=O)c1coc2c1cccc2C)C1CC1 ZINC001266141604 1109106311 /nfs/dbraw/zinc/10/63/11/1109106311.db2.gz NNGLEZROARITAC-UHFFFAOYSA-N 0 3 324.424 3.349 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc2ccccc2c1)C1CC1 ZINC001266171903 1109114493 /nfs/dbraw/zinc/11/44/93/1109114493.db2.gz PVVREHUOMHALME-UHFFFAOYSA-N 0 3 320.436 3.447 20 30 DGEDHN CCCC(=O)NCCC[C@H]1CCCN1Cc1ccccc1C#N ZINC001266195980 1109123112 /nfs/dbraw/zinc/12/31/12/1109123112.db2.gz NJRXPFZIUCQAEH-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001266236970 1109135168 /nfs/dbraw/zinc/13/51/68/1109135168.db2.gz PBIJMZOQACAAND-ZDUSSCGKSA-N 0 3 312.360 3.378 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](C)C(C)C ZINC001266234706 1109135239 /nfs/dbraw/zinc/13/52/39/1109135239.db2.gz JHSBFPFMVRRXHU-LSDHHAIUSA-N 0 3 300.874 3.392 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001279156433 1109139891 /nfs/dbraw/zinc/13/98/91/1109139891.db2.gz RFOMKYGKJZOCJY-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ns1 ZINC001316597756 1109159467 /nfs/dbraw/zinc/15/94/67/1109159467.db2.gz JUMFFYBRMPOAKD-HZPDHXFCSA-N 0 3 321.490 3.325 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)/C=C/C(C)(C)C)c(F)c1 ZINC001279703718 1109160941 /nfs/dbraw/zinc/16/09/41/1109160941.db2.gz LKLRNZLRKOVLKP-CMDGGOBGSA-N 0 3 304.409 3.320 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)/C=C\C(C)(C)C)c(F)c1 ZINC001279703721 1109161030 /nfs/dbraw/zinc/16/10/30/1109161030.db2.gz LKLRNZLRKOVLKP-HJWRWDBZSA-N 0 3 304.409 3.320 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2(CC)CCC2)c(F)c1 ZINC001279716500 1109161628 /nfs/dbraw/zinc/16/16/28/1109161628.db2.gz SYRVHSVYPTXGLF-UHFFFAOYSA-N 0 3 304.409 3.298 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN1CC[C@H]1CCCCO1 ZINC001316602261 1109181782 /nfs/dbraw/zinc/18/17/82/1109181782.db2.gz LIBXIIBTXWCZTB-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc(C(C)(C)C)oc2C)CCC1 ZINC001280508070 1109215885 /nfs/dbraw/zinc/21/58/85/1109215885.db2.gz PYQSUKMXUMKVEH-UHFFFAOYSA-N 0 3 316.445 3.151 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001280744898 1109246158 /nfs/dbraw/zinc/24/61/58/1109246158.db2.gz PMUTUENAEMDUKT-IRXDYDNUSA-N 0 3 310.457 3.289 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(-c2ccccc2)o1 ZINC001280864712 1109265613 /nfs/dbraw/zinc/26/56/13/1109265613.db2.gz CBULOIUJZNOYRH-UHFFFAOYSA-N 0 3 324.424 3.364 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)C(C)C ZINC001281064362 1109299673 /nfs/dbraw/zinc/29/96/73/1109299673.db2.gz XLNQTQYFTGQBEN-SFHVURJKSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NCc1ccc2c(c1)CN(CCC)C2 ZINC001281284853 1109321771 /nfs/dbraw/zinc/32/17/71/1109321771.db2.gz LTOOPIYHAOHKSL-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccnc(Cl)c2)C1 ZINC001281409631 1109347380 /nfs/dbraw/zinc/34/73/80/1109347380.db2.gz UTAGJFZDPAZJNN-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001281429606 1109351364 /nfs/dbraw/zinc/35/13/64/1109351364.db2.gz MKUJBEHRQOOPIM-PKOBYXMFSA-N 0 3 324.468 3.077 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC(C2CC2)C2CC2)C(C)(C)C1 ZINC001281565880 1109381982 /nfs/dbraw/zinc/38/19/82/1109381982.db2.gz AFWGFYIKLYYAMF-SFHVURJKSA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(CC)(CC)CC)C(C)(C)C1 ZINC001281572925 1109382829 /nfs/dbraw/zinc/38/28/29/1109382829.db2.gz XBZYFAKLRBMQDA-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CF)CCC1 ZINC001281912921 1109414766 /nfs/dbraw/zinc/41/47/66/1109414766.db2.gz UHJOJRBQRCOSCK-IAGOWNOFSA-N 0 3 316.420 3.074 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)C(C)(F)F ZINC001281913232 1109414995 /nfs/dbraw/zinc/41/49/95/1109414995.db2.gz VSGOWCAVVGTFOH-DAXOMENPSA-N 0 3 322.399 3.226 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1sccc1C(F)F ZINC001281968755 1109424481 /nfs/dbraw/zinc/42/44/81/1109424481.db2.gz LZMIHJBRYTVMNL-NSHDSACASA-N 0 3 314.401 3.408 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2c(C)nsc2C)C1 ZINC001282186493 1109465408 /nfs/dbraw/zinc/46/54/08/1109465408.db2.gz VMMLKYNGKHJRAM-RYUDHWBXSA-N 0 3 321.490 3.099 20 30 DGEDHN CCCCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282226799 1109471562 /nfs/dbraw/zinc/47/15/62/1109471562.db2.gz FKNDQFFCTAPXLE-MSOLQXFVSA-N 0 3 314.473 3.491 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)CCc1ccccc1F ZINC001282455953 1109515511 /nfs/dbraw/zinc/51/55/11/1109515511.db2.gz UJAZWTLXHPBHGA-HUUCEWRRSA-N 0 3 306.425 3.017 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(OC)c1 ZINC001282456173 1109515592 /nfs/dbraw/zinc/51/55/92/1109515592.db2.gz WYVWIBBWABYKTD-DNVCBOLYSA-N 0 3 318.461 3.234 20 30 DGEDHN O=C(C#CC1CC1)NC[C@@H]1CCCCCN1Cc1ccsc1 ZINC001282665462 1109547617 /nfs/dbraw/zinc/54/76/17/1109547617.db2.gz DPXWPZMRTWBRIT-KRWDZBQOSA-N 0 3 316.470 3.022 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001282693357 1109553215 /nfs/dbraw/zinc/55/32/15/1109553215.db2.gz OAPWMELKCNDHOI-HNNXBMFYSA-N 0 3 312.457 3.467 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001282736856 1109558978 /nfs/dbraw/zinc/55/89/78/1109558978.db2.gz IORCFQWZKBDASD-DLBZAZTESA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2)C(C)(C)C1 ZINC001282835042 1109573562 /nfs/dbraw/zinc/57/35/62/1109573562.db2.gz ZFWRZKBSULNTNW-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)s2)C(C)(C)C1 ZINC001282845034 1109574189 /nfs/dbraw/zinc/57/41/89/1109574189.db2.gz PDLUAJCYWYIFEW-HNNXBMFYSA-N 0 3 306.475 3.002 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001283631374 1109663733 /nfs/dbraw/zinc/66/37/33/1109663733.db2.gz JUFYAUWRNBXGCM-BHIYHBOVSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001283654723 1109667649 /nfs/dbraw/zinc/66/76/49/1109667649.db2.gz SLYQNCUDKMTQGM-ZDUSSCGKSA-N 0 3 319.474 3.159 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@H]1C ZINC001283868463 1109691589 /nfs/dbraw/zinc/69/15/89/1109691589.db2.gz LXDILDDFXVFODG-OCCSQVGLSA-N 0 3 324.877 3.284 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)c3ccccc23)C1 ZINC001284005449 1109714033 /nfs/dbraw/zinc/71/40/33/1109714033.db2.gz WTEGWWDMIJBVRI-HUUCEWRRSA-N 0 3 324.399 3.195 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)c3ccccc23)C1 ZINC001284005444 1109714269 /nfs/dbraw/zinc/71/42/69/1109714269.db2.gz WTEGWWDMIJBVRI-CABCVRRESA-N 0 3 324.399 3.195 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC001284019341 1109716247 /nfs/dbraw/zinc/71/62/47/1109716247.db2.gz YDFAADOSZOCORN-KXBFYZLASA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)CC3CCCCC3)CCC[C@@H]12 ZINC001284068876 1109728597 /nfs/dbraw/zinc/72/85/97/1109728597.db2.gz PDCRFMHKIOXVNK-YVWKXTFCSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCOc2ccccc2)[C@@H]1C ZINC001284154929 1109749799 /nfs/dbraw/zinc/74/97/99/1109749799.db2.gz RHGDLXOPPYLLEZ-WMZOPIPTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCc1cccs1)C(C)C ZINC001284559678 1109812744 /nfs/dbraw/zinc/81/27/44/1109812744.db2.gz WSBVKWZPRCKIQR-UHFFFAOYSA-N 0 3 308.491 3.426 20 30 DGEDHN CCC(=O)N[C@@H](CNCC#Cc1cccc(Cl)c1)C(C)(C)C ZINC001284562242 1109812861 /nfs/dbraw/zinc/81/28/61/1109812861.db2.gz JULZCULOYREUCF-INIZCTEOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001284790261 1109861399 /nfs/dbraw/zinc/86/13/99/1109861399.db2.gz PWTYBIISPFVEIA-KVULBXGLSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCC(C)(C)Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001301139668 1111083269 /nfs/dbraw/zinc/08/32/69/1111083269.db2.gz SCVIXWJNYOILAX-CABCVRRESA-N 0 3 319.497 3.108 20 30 DGEDHN C=CCCCCn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001301187934 1111084273 /nfs/dbraw/zinc/08/42/73/1111084273.db2.gz FJQZQBFYLSYZKT-CVEARBPZSA-N 0 3 319.497 3.116 20 30 DGEDHN C[C@@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC001306932820 1111251881 /nfs/dbraw/zinc/25/18/81/1111251881.db2.gz ZOHAEUDFJJJJNS-QWRGUYRKSA-N 0 3 308.407 3.203 20 30 DGEDHN CN1CCCC(C)(C)[C@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC001307109662 1111267026 /nfs/dbraw/zinc/26/70/26/1111267026.db2.gz CXZIAXGXPWDLDC-OAHLLOKOSA-N 0 3 320.368 3.138 20 30 DGEDHN CCOc1ccc([C@@H](NCC#CCOC)C(C)C)cc1OCC ZINC001307629273 1111320949 /nfs/dbraw/zinc/32/09/49/1111320949.db2.gz OTFGHAMLXUKUFM-IBGZPJMESA-N 0 3 319.445 3.421 20 30 DGEDHN C=C(C)CCN1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308049852 1111371637 /nfs/dbraw/zinc/37/16/37/1111371637.db2.gz DAPUBFANMQQELQ-QAPCUYQASA-N 0 3 324.465 3.053 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2ncccc2C)cc1 ZINC001308153185 1111385389 /nfs/dbraw/zinc/38/53/89/1111385389.db2.gz MMUHCCSOFFGAEI-HNNXBMFYSA-N 0 3 307.397 3.051 20 30 DGEDHN C[C@@H]1CC[C@](CO)(NCc2ccc(C#N)cc2)c2ccccc21 ZINC001308157648 1111386276 /nfs/dbraw/zinc/38/62/76/1111386276.db2.gz HAOUXUOALPNFCS-FOIQADDNSA-N 0 3 306.409 3.433 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1 ZINC001308291290 1111412334 /nfs/dbraw/zinc/41/23/34/1111412334.db2.gz WFTKNWOFUVSOSF-HXUWFJFHSA-N 0 3 318.420 3.262 20 30 DGEDHN C#CCN(Cc1ccccc1OCC(=O)OC)C1CCCCC1 ZINC001308589446 1111448449 /nfs/dbraw/zinc/44/84/49/1111448449.db2.gz FYJHVNJMVUNBFI-UHFFFAOYSA-N 0 3 315.413 3.006 20 30 DGEDHN C#C[C@H](CC)NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001308751187 1111470107 /nfs/dbraw/zinc/47/01/07/1111470107.db2.gz QJABBDTVWJMGAR-MRXNPFEDSA-N 0 3 302.418 3.213 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001308867348 1111486515 /nfs/dbraw/zinc/48/65/15/1111486515.db2.gz BDUCPXNJUSWFMT-YJBOKZPZSA-N 0 3 313.441 3.468 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1cccc(OC)c1 ZINC001317483794 1111554352 /nfs/dbraw/zinc/55/43/52/1111554352.db2.gz KSLWJOWVIJOYOQ-UHFFFAOYSA-N 0 3 318.461 3.236 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(C[C@H](F)CC)C[C@H]2C1 ZINC001316756257 1111759678 /nfs/dbraw/zinc/75/96/78/1111759678.db2.gz XJUBZLFVFQQOMY-FGTMMUONSA-N 0 3 322.468 3.099 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC(C2CC2)C2CC2)CC(C)(C)C1 ZINC001316811320 1111776110 /nfs/dbraw/zinc/77/61/10/1111776110.db2.gz MCLRLMZWKIQYTA-KRWDZBQOSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CC[C@@H](CCOC)NCc1ccc(C(F)(F)F)nc1Cl ZINC001621463958 1193846446 /nfs/dbraw/zinc/84/64/46/1193846446.db2.gz PFHYDLIHBYWXTD-NSHDSACASA-N 0 3 320.742 3.272 20 30 DGEDHN CC[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000278339092 214100364 /nfs/dbraw/zinc/10/03/64/214100364.db2.gz XFRWKATUTDLLIF-LJQANCHMSA-N 0 3 321.424 3.258 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1cccc(C)c1)c1ccc(C#N)cc1 ZINC000278351192 214109302 /nfs/dbraw/zinc/10/93/02/214109302.db2.gz ZGDCNJDJRINBOO-AZUAARDMSA-N 0 3 324.424 3.347 20 30 DGEDHN N#CC(CCN1CCC[C@H](O)C1)(c1ccccc1)c1ccccc1 ZINC000095563484 185380019 /nfs/dbraw/zinc/38/00/19/185380019.db2.gz QUCDHLYUTQBEOV-FQEVSTJZSA-N 0 3 320.436 3.343 20 30 DGEDHN CC[C@@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348459687 529458123 /nfs/dbraw/zinc/45/81/23/529458123.db2.gz GYSLMFQMOCZDPF-KBPBESRZSA-N 0 3 323.318 3.088 20 30 DGEDHN N#Cc1cc2c(nc1N[C@@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000328642045 231279418 /nfs/dbraw/zinc/27/94/18/231279418.db2.gz FUPSGVPRSHZSJZ-GOSISDBHSA-N 0 3 318.424 3.128 20 30 DGEDHN CC[C@H](NCCCC1(C#N)CCOCC1)c1c(C)noc1C ZINC000337213192 529596399 /nfs/dbraw/zinc/59/63/99/529596399.db2.gz WEGNXVIBTUSSLV-HNNXBMFYSA-N 0 3 305.422 3.433 20 30 DGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)N(C)C ZINC000413421398 529611738 /nfs/dbraw/zinc/61/17/38/529611738.db2.gz WWYXUQSJYPJXAL-QWHCGFSZSA-N 0 3 314.216 3.014 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)cc1F ZINC000088715769 185262976 /nfs/dbraw/zinc/26/29/76/185262976.db2.gz NIRKMNMVVUJXHP-YWZLYKJASA-N 0 3 323.415 3.307 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@H]3CO)c2)c1 ZINC000092455932 185319385 /nfs/dbraw/zinc/31/93/85/185319385.db2.gz VWWAFABERAGEOW-IBGZPJMESA-N 0 3 322.408 3.094 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](CC(C)C)c1cccs1 ZINC000272826203 210225715 /nfs/dbraw/zinc/22/57/15/210225715.db2.gz GUUJHVMBJDQOBP-CYBMUJFWSA-N 0 3 301.477 3.026 20 30 DGEDHN CCc1nc(C(=O)NCC(C)(C)N2CCC[C@@H](CC)C2)co1 ZINC000330871475 529705011 /nfs/dbraw/zinc/70/50/11/529705011.db2.gz ZXJGTCXSVBWVQN-CYBMUJFWSA-N 0 3 307.438 3.442 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000181541369 199314179 /nfs/dbraw/zinc/31/41/79/199314179.db2.gz KPLWKGFVFLKRLJ-GJZGRUSLSA-N 0 3 307.397 3.279 20 30 DGEDHN CN(C)c1ccc(CNCc2cccc(OCCCC#N)c2)cn1 ZINC000338954935 529782442 /nfs/dbraw/zinc/78/24/42/529782442.db2.gz RCVDAZZXARLZRL-UHFFFAOYSA-N 0 3 324.428 3.120 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000286725588 219131347 /nfs/dbraw/zinc/13/13/47/219131347.db2.gz DPTLVTJAKCRUFU-GOSISDBHSA-N 0 3 314.816 3.247 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)C(C)C ZINC000065299525 432010695 /nfs/dbraw/zinc/01/06/95/432010695.db2.gz SHPVADJXWNVWGI-INIZCTEOSA-N 0 3 301.434 3.300 20 30 DGEDHN CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424088045 530000928 /nfs/dbraw/zinc/00/09/28/530000928.db2.gz GFNKJVQSPIPYFR-LJQANCHMSA-N 0 3 321.424 3.333 20 30 DGEDHN CCN(C)CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000181814836 199355913 /nfs/dbraw/zinc/35/59/13/199355913.db2.gz BBRINEURORODGU-UHFFFAOYSA-N 0 3 323.396 3.032 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cn(C)nc1-c1ccncc1 ZINC000272677324 210081797 /nfs/dbraw/zinc/08/17/97/210081797.db2.gz UUYJDDVYUPSOOA-UHFFFAOYSA-N 0 3 322.412 3.306 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000106035616 432019384 /nfs/dbraw/zinc/01/93/84/432019384.db2.gz RZUFANUIWKBNDV-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cc2OC)CC1 ZINC000106035620 432019675 /nfs/dbraw/zinc/01/96/75/432019675.db2.gz JSJWKSDMUKKCBM-UHFFFAOYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc(C)oc2C)CC1 ZINC000106336029 432020250 /nfs/dbraw/zinc/02/02/50/432020250.db2.gz ZJCPVHLQOPCXNR-CQSZACIVSA-N 0 3 319.449 3.297 20 30 DGEDHN C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000277196359 213358701 /nfs/dbraw/zinc/35/87/01/213358701.db2.gz JBXQGVLZGUEKGB-RYUDHWBXSA-N 0 3 321.396 3.261 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(Br)s2)o1 ZINC000174306163 198317022 /nfs/dbraw/zinc/31/70/22/198317022.db2.gz ZTADTVQHKJCWGO-UHFFFAOYSA-N 0 3 311.204 3.308 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000067705741 432036470 /nfs/dbraw/zinc/03/64/70/432036470.db2.gz ONFHPEPPLOYCQJ-KRWDZBQOSA-N 0 3 303.450 3.205 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@@H](O)c2cccc(F)c2)C1 ZINC000126204960 283049553 /nfs/dbraw/zinc/04/95/53/283049553.db2.gz IUGSNGWSIRPYDO-JLAWEPINSA-N 0 3 310.372 3.073 20 30 DGEDHN CO[C@@H](CNCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000276993216 213224934 /nfs/dbraw/zinc/22/49/34/213224934.db2.gz XCUUOHAANBINPH-INIZCTEOSA-N 0 3 303.793 3.027 20 30 DGEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1 ZINC000272239775 283078776 /nfs/dbraw/zinc/07/87/76/283078776.db2.gz WGVWDSPINJYNDF-ABAIWWIYSA-N 0 3 309.335 3.107 20 30 DGEDHN N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](N2CCCC2)C1 ZINC000301156563 283092783 /nfs/dbraw/zinc/09/27/83/283092783.db2.gz DHNIIFVMFLKBKU-AWEZNQCLSA-N 0 3 309.335 3.252 20 30 DGEDHN N#Cc1c(NC(=O)CCN2CCCCC2)sc2c1CCCC2 ZINC000005517239 181252425 /nfs/dbraw/zinc/25/24/25/181252425.db2.gz PIBVYAKNUQIRBN-UHFFFAOYSA-N 0 3 317.458 3.313 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](C4CC4)C3)C2=O)cc1 ZINC000344084638 283159238 /nfs/dbraw/zinc/15/92/38/283159238.db2.gz GKBJYTWNJJBONK-MJGOQNOKSA-N 0 3 323.440 3.176 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H]1NCCc3ccccc31)CC2 ZINC000423416739 283196998 /nfs/dbraw/zinc/19/69/98/283196998.db2.gz FZJODGIDONCOCK-VQTJNVASSA-N 0 3 303.409 3.022 20 30 DGEDHN C[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CN1C1CC1 ZINC000133532172 432066908 /nfs/dbraw/zinc/06/69/08/432066908.db2.gz LLSPRBDRPMTOAN-ONGXEEELSA-N 0 3 310.323 3.009 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000179885931 199092105 /nfs/dbraw/zinc/09/21/05/199092105.db2.gz LJYMPPATLQJVCK-INIZCTEOSA-N 0 3 318.486 3.270 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000237619296 202307238 /nfs/dbraw/zinc/30/72/38/202307238.db2.gz CUDYPUIKPIIQKX-DNVCBOLYSA-N 0 3 324.424 3.204 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H]3CCCC(F)(F)C3)C2)nc1 ZINC000428792427 238031648 /nfs/dbraw/zinc/03/16/48/238031648.db2.gz WHWIZZNYMORDJJ-HIFRSBDPSA-N 0 3 321.371 3.232 20 30 DGEDHN C=CCCN(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000276015961 212630373 /nfs/dbraw/zinc/63/03/73/212630373.db2.gz BOGXTOIIWMEDBF-UHFFFAOYSA-N 0 3 321.490 3.178 20 30 DGEDHN CN(C(=O)CN(C1CCC1)C1CCC1)C1(C#N)CCCCC1 ZINC000429136539 238041751 /nfs/dbraw/zinc/04/17/51/238041751.db2.gz ADOQWQFAEPMOJV-UHFFFAOYSA-N 0 3 303.450 3.078 20 30 DGEDHN N#CCC1(CNCc2ccccc2OCc2ccncc2)CC1 ZINC000430020357 238064671 /nfs/dbraw/zinc/06/46/71/238064671.db2.gz OVVMSAJLLAOYFI-UHFFFAOYSA-N 0 3 307.397 3.444 20 30 DGEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1(CC#N)CC1 ZINC000430045171 238065101 /nfs/dbraw/zinc/06/51/01/238065101.db2.gz XQWPVZCVLSZPQH-UHFFFAOYSA-N 0 3 312.392 3.412 20 30 DGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000430745195 238085435 /nfs/dbraw/zinc/08/54/35/238085435.db2.gz XXXSQEUROPFAOK-HNNXBMFYSA-N 0 3 324.428 3.344 20 30 DGEDHN COCc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433216743 238150899 /nfs/dbraw/zinc/15/08/99/238150899.db2.gz BYMMXOROZBTBGL-QGZVFWFLSA-N 0 3 322.408 3.222 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCCNc1ccccc1 ZINC000433346709 238156762 /nfs/dbraw/zinc/15/67/62/238156762.db2.gz HMWSFGNFFGQIPO-SFHVURJKSA-N 0 3 321.424 3.377 20 30 DGEDHN CN(C)[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 ZINC000433383327 238157926 /nfs/dbraw/zinc/15/79/26/238157926.db2.gz HGZVEOJTYQGMTA-ZWKOTPCHSA-N 0 3 313.445 3.268 20 30 DGEDHN COc1cccc([C@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271969320 209347900 /nfs/dbraw/zinc/34/79/00/209347900.db2.gz UAMOFEUEDSDWHB-KZULUSFZSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271922953 209326597 /nfs/dbraw/zinc/32/65/97/209326597.db2.gz IIDGFKIGEQTXIB-BLLLJJGKSA-N 0 3 301.365 3.244 20 30 DGEDHN N#Cc1cccc(OCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000271834722 209254084 /nfs/dbraw/zinc/25/40/84/209254084.db2.gz UZMVGKPSTSMIQY-UHFFFAOYSA-N 0 3 303.365 3.088 20 30 DGEDHN COc1ccc(CN2CCN(C3CCCCC3)CC2)cc1C#N ZINC000135160358 432102109 /nfs/dbraw/zinc/10/21/09/432102109.db2.gz FRPGOOPZCUPGFK-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271828734 209249929 /nfs/dbraw/zinc/24/99/29/209249929.db2.gz PHVJFCCDBNBFGW-GFCCVEGCSA-N 0 3 323.371 3.067 20 30 DGEDHN CCOC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)[nH]c1C ZINC000449076528 240004507 /nfs/dbraw/zinc/00/45/07/240004507.db2.gz TYWSOJJNMJOXDL-LBPRGKRZSA-N 0 3 311.385 3.222 20 30 DGEDHN CCOC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)[nH]c1C ZINC000449076527 240003509 /nfs/dbraw/zinc/00/35/09/240003509.db2.gz TYWSOJJNMJOXDL-GFCCVEGCSA-N 0 3 311.385 3.222 20 30 DGEDHN C=CCCCC[C@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000449305432 240120108 /nfs/dbraw/zinc/12/01/08/240120108.db2.gz GHKZCIUQKRFEAY-ZDUSSCGKSA-N 0 3 313.438 3.454 20 30 DGEDHN C=CC(C)(C)CNCc1ccc(OC)c(O)c1Br ZINC000449486679 240238114 /nfs/dbraw/zinc/23/81/14/240238114.db2.gz UNAMWQCQACGDQL-UHFFFAOYSA-N 0 3 314.223 3.465 20 30 DGEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccccc2F)s1 ZINC000449694560 240375177 /nfs/dbraw/zinc/37/51/77/240375177.db2.gz BZWHGIBKIUGAPX-GFCCVEGCSA-N 0 3 306.406 3.366 20 30 DGEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC000451502752 241148930 /nfs/dbraw/zinc/14/89/30/241148930.db2.gz POBZNSXEYXJPAW-KBPBESRZSA-N 0 3 310.344 3.063 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451591602 241182148 /nfs/dbraw/zinc/18/21/48/241182148.db2.gz AUDRMRKVCYUSOW-SJORKVTESA-N 0 3 304.821 3.098 20 30 DGEDHN C=CCNC(=O)[C@@H](C)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000246229657 432110151 /nfs/dbraw/zinc/11/01/51/432110151.db2.gz SZDBBBMJXVLUOQ-CABCVRRESA-N 0 3 315.461 3.149 20 30 DGEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(F)cc3F)CC2)c1 ZINC000271781761 209209087 /nfs/dbraw/zinc/20/90/87/209209087.db2.gz LUZKFOWFCMZCGK-QGZVFWFLSA-N 0 3 314.335 3.149 20 30 DGEDHN C=CC(C)(C)CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000455359241 242178916 /nfs/dbraw/zinc/17/89/16/242178916.db2.gz AAGCSWNLKZQZMV-UHFFFAOYSA-N 0 3 317.477 3.492 20 30 DGEDHN CCN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000268630205 432112784 /nfs/dbraw/zinc/11/27/84/432112784.db2.gz BOZLUGKHAVLIHY-LIRRHRJNSA-N 0 3 310.397 3.380 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCSC[C@H]1C1CC1 ZINC000456163970 242366126 /nfs/dbraw/zinc/36/61/26/242366126.db2.gz BZLOOZMDJAMBEC-SJORKVTESA-N 0 3 314.454 3.113 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2scnc2C(C)C)CC1 ZINC000455846166 242296206 /nfs/dbraw/zinc/29/62/06/242296206.db2.gz MTUBGOIERRYZBH-UHFFFAOYSA-N 0 3 308.451 3.038 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@]2(C)CC(C)C)CC1 ZINC000458345362 243037973 /nfs/dbraw/zinc/03/79/73/243037973.db2.gz UYWIAVAREQYHLE-SFHVURJKSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000458623623 243105417 /nfs/dbraw/zinc/10/54/17/243105417.db2.gz CDKLCXADTZDQBP-HNNXBMFYSA-N 0 3 305.466 3.215 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(CC3CCC(F)(F)CC3)C2)nc1 ZINC000459494371 243389167 /nfs/dbraw/zinc/38/91/67/243389167.db2.gz RBVBGFWEJKSDTB-OAHLLOKOSA-N 0 3 321.371 3.232 20 30 DGEDHN N#CCCCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000487563775 245075354 /nfs/dbraw/zinc/07/53/54/245075354.db2.gz STYMFKDFVQWFQD-UHFFFAOYSA-N 0 3 308.307 3.489 20 30 DGEDHN Cc1cc(CN(CCO)[C@@H]2CCc3ccccc32)ccc1C#N ZINC000488173704 245156377 /nfs/dbraw/zinc/15/63/77/245156377.db2.gz FLFCPNXZGBKXDS-HXUWFJFHSA-N 0 3 306.409 3.349 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CC)N(C)C ZINC000268705726 432122902 /nfs/dbraw/zinc/12/29/02/432122902.db2.gz BPMXKYNITAOBPK-LBPRGKRZSA-N 0 3 300.855 3.256 20 30 DGEDHN C=C(C)CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000488560093 245208608 /nfs/dbraw/zinc/20/86/08/245208608.db2.gz CKODGJJMPOPQSI-GOSISDBHSA-N 0 3 315.461 3.335 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000489011499 245263106 /nfs/dbraw/zinc/26/31/06/245263106.db2.gz MDOROVJMTMSAIQ-GOSISDBHSA-N 0 3 311.429 3.015 20 30 DGEDHN C=CCC[C@H](O)CN(CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490079310 245380470 /nfs/dbraw/zinc/38/04/70/245380470.db2.gz YSWMHTKGMAWYBO-SJORKVTESA-N 0 3 318.461 3.361 20 30 DGEDHN CC(C)N(C)C(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000490094670 245381973 /nfs/dbraw/zinc/38/19/73/245381973.db2.gz CPCJPOVFKAVEBP-HNNXBMFYSA-N 0 3 313.445 3.198 20 30 DGEDHN N#Cc1cccc(C2(NC[C@H](O)c3c(F)cccc3F)CC2)c1 ZINC000271741980 209173017 /nfs/dbraw/zinc/17/30/17/209173017.db2.gz COIZKLWEGVCDNS-INIZCTEOSA-N 0 3 314.335 3.149 20 30 DGEDHN C=CCOCCCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000266305603 205251713 /nfs/dbraw/zinc/25/17/13/205251713.db2.gz DTRVLYYTJOTIQW-INIZCTEOSA-N 0 3 318.461 3.215 20 30 DGEDHN C=CCOCCCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000266305605 205252306 /nfs/dbraw/zinc/25/23/06/205252306.db2.gz DTRVLYYTJOTIQW-MRXNPFEDSA-N 0 3 318.461 3.215 20 30 DGEDHN COc1cccc(NC(=O)CCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000266480802 205376740 /nfs/dbraw/zinc/37/67/40/205376740.db2.gz SXCRBAAAMPPRJN-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000494521627 246158008 /nfs/dbraw/zinc/15/80/08/246158008.db2.gz IYNVOJKVVWTFSI-CQSZACIVSA-N 0 3 309.454 3.258 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)cc1)C(C)C ZINC000496013831 246341380 /nfs/dbraw/zinc/34/13/80/246341380.db2.gz KJZWBHUZCIIXLM-GOSISDBHSA-N 0 3 300.446 3.423 20 30 DGEDHN C=CCCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000274449430 211623870 /nfs/dbraw/zinc/62/38/70/211623870.db2.gz GVPFDUYHMMXQCN-UHFFFAOYSA-N 0 3 300.446 3.371 20 30 DGEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000286306676 335034734 /nfs/dbraw/zinc/03/47/34/335034734.db2.gz XIJDXTJLOSHFHX-PBHICJAKSA-N 0 3 320.392 3.433 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000190290085 432140594 /nfs/dbraw/zinc/14/05/94/432140594.db2.gz NBQGYIBIKSVJBF-WMZOPIPTSA-N 0 3 312.457 3.370 20 30 DGEDHN COc1cccc2c1OC[C@@H](N[C@@H](C)c1cccc(C#N)c1)C2 ZINC000181679978 432141316 /nfs/dbraw/zinc/14/13/16/432141316.db2.gz NCNHSSTXJMKBAD-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(F)c1 ZINC000246552276 432143687 /nfs/dbraw/zinc/14/36/87/432143687.db2.gz KKVVMJKTTJOJOS-QFBILLFUSA-N 0 3 313.420 3.146 20 30 DGEDHN C#CCCCCc1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000273847902 211110061 /nfs/dbraw/zinc/11/00/61/211110061.db2.gz KZZMZGUTFQZBOT-UHFFFAOYSA-N 0 3 313.401 3.023 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CCCc3cn[nH]c32)cc1OC ZINC000268861300 207028200 /nfs/dbraw/zinc/02/82/00/207028200.db2.gz SCGZPJAKRWJGBR-HNNXBMFYSA-N 0 3 313.401 3.150 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1cccc(C#N)c1 ZINC000268923496 207089452 /nfs/dbraw/zinc/08/94/52/207089452.db2.gz KPUHBDHKBQZZNX-KGLIPLIRSA-N 0 3 319.408 3.489 20 30 DGEDHN C=CCNC(=O)CN[C@H]1CCCc2c3ccccc3sc21 ZINC000271932469 209334527 /nfs/dbraw/zinc/33/45/27/209334527.db2.gz KPUYTTLMUPMXAP-AWEZNQCLSA-N 0 3 300.427 3.171 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H](O)c2cccc(C)c2)cc1 ZINC000268949853 207113638 /nfs/dbraw/zinc/11/36/38/207113638.db2.gz CYDNNPXVRDJSBZ-FQEVSTJZSA-N 0 3 309.409 3.220 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000269052126 207201387 /nfs/dbraw/zinc/20/13/87/207201387.db2.gz SGCTWMRYZMWVJI-WOJBJXKFSA-N 0 3 321.424 3.168 20 30 DGEDHN Cc1csc(=O)n1CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000063750944 184287618 /nfs/dbraw/zinc/28/76/18/184287618.db2.gz VZORBGGDPWCNBC-UHFFFAOYSA-N 0 3 315.442 3.001 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN[C@H]2CCCOC2)c1 ZINC000066905914 184439195 /nfs/dbraw/zinc/43/91/95/184439195.db2.gz PHDODRYNTCEZME-IBGZPJMESA-N 0 3 322.408 3.406 20 30 DGEDHN CSc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000337226756 533005057 /nfs/dbraw/zinc/00/50/57/533005057.db2.gz RCWUZQYDNIEYJG-QWHCGFSZSA-N 0 3 317.458 3.010 20 30 DGEDHN COc1ccccc1[C@H](CN[C@@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442636931 533014367 /nfs/dbraw/zinc/01/43/67/533014367.db2.gz VLMUWIJUNIFAET-NUJGCVRESA-N 0 3 313.445 3.114 20 30 DGEDHN CCC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1CCOC ZINC000249410791 285072929 /nfs/dbraw/zinc/07/29/29/285072929.db2.gz XVEOHZWMKBWAEG-APWZRJJASA-N 0 3 315.461 3.052 20 30 DGEDHN COc1cccc(CN(C)CCCOc2cccc(C#N)c2)c1 ZINC000336865135 253013025 /nfs/dbraw/zinc/01/30/25/253013025.db2.gz UJXOWOKBJADSKT-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000270267944 208334855 /nfs/dbraw/zinc/33/48/55/208334855.db2.gz FVUSYUAPUGKFNY-QGZVFWFLSA-N 0 3 300.446 3.289 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000337811141 253177897 /nfs/dbraw/zinc/17/78/97/253177897.db2.gz LRZNOLUYBBKMFH-DNVCBOLYSA-N 0 3 321.424 3.288 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000337889318 253189675 /nfs/dbraw/zinc/18/96/75/253189675.db2.gz GFDXHEZPVCAEKG-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000273041202 210420015 /nfs/dbraw/zinc/42/00/15/210420015.db2.gz AOWLTXTXCNALSG-RBUKOAKNSA-N 0 3 317.429 3.307 20 30 DGEDHN C[C@@H](NC(=O)Nc1ncc(C(C)(C)C)s1)C1=CCN(C)CC1 ZINC000330796413 533104097 /nfs/dbraw/zinc/10/40/97/533104097.db2.gz XPMWXZMTOXNTEH-LLVKDONJSA-N 0 3 322.478 3.417 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000338316781 533110045 /nfs/dbraw/zinc/11/00/45/533110045.db2.gz RGMIUUSWTHUBAE-STQMWFEESA-N 0 3 306.793 3.117 20 30 DGEDHN COc1cc([C@@H](C)NCC(C)(C)CC#N)cc(OC)c1OC ZINC000414166036 533114610 /nfs/dbraw/zinc/11/46/10/533114610.db2.gz MWUCNFLYXUVVSM-GFCCVEGCSA-N 0 3 306.406 3.303 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000347126894 533117306 /nfs/dbraw/zinc/11/73/06/533117306.db2.gz DHGMEVTZFYJBKD-GUYCJALGSA-N 0 3 306.365 3.453 20 30 DGEDHN C[C@@H](NCCc1ccc2c[nH]nc2c1)c1ccc(C#N)cc1F ZINC000342813841 254057271 /nfs/dbraw/zinc/05/72/71/254057271.db2.gz KHQQDRLRRBFHMB-GFCCVEGCSA-N 0 3 308.360 3.467 20 30 DGEDHN Cc1nsc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000342832951 254061343 /nfs/dbraw/zinc/06/13/43/254061343.db2.gz WIEOTZLVUSAYEX-LRDDRELGSA-N 0 3 312.442 3.256 20 30 DGEDHN CC[C@@H]1CN(c2cc(C#N)cc(C)n2)CCN1Cc1ccccc1 ZINC000342832501 254061595 /nfs/dbraw/zinc/06/15/95/254061595.db2.gz SKOHYEDFHWJXKR-LJQANCHMSA-N 0 3 320.440 3.363 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCNC1(c2ccccc2)CC1 ZINC000342992320 254084262 /nfs/dbraw/zinc/08/42/62/254084262.db2.gz GALZTSGKMLWDAP-UHFFFAOYSA-N 0 3 311.410 3.227 20 30 DGEDHN Cc1ccnc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000343430638 254142643 /nfs/dbraw/zinc/14/26/43/254142643.db2.gz DLMSXGJDWLFJNI-RDJZCZTQSA-N 0 3 306.413 3.337 20 30 DGEDHN C[C@H](COc1cccc(F)c1)NCc1ccc(C#N)cc1F ZINC000343634632 254170802 /nfs/dbraw/zinc/17/08/02/254170802.db2.gz GKCFPSUBACRWAB-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN Cc1cc(C#N)nc(N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)n1 ZINC000343802848 254190936 /nfs/dbraw/zinc/19/09/36/254190936.db2.gz FMXSGUFDRCVRRE-YOEHRIQHSA-N 0 3 309.417 3.068 20 30 DGEDHN CCN(CCN1CCCCCC1)c1nccc(C#N)c1Cl ZINC000343809445 254191585 /nfs/dbraw/zinc/19/15/85/254191585.db2.gz RPONCRZGGPYURC-UHFFFAOYSA-N 0 3 306.841 3.309 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OCCC(C)C ZINC000347037139 533126793 /nfs/dbraw/zinc/12/67/93/533126793.db2.gz NLDBKOZBDHRTBP-KBPBESRZSA-N 0 3 318.417 3.457 20 30 DGEDHN COCCNc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000344175755 254235665 /nfs/dbraw/zinc/23/56/65/254235665.db2.gz STOGJAHFRRFROG-OAHLLOKOSA-N 0 3 309.413 3.467 20 30 DGEDHN C[C@@]1(NCc2ccc(C#N)cc2OC(F)F)CCO[C@@H]1C1CC1 ZINC000344379047 254264496 /nfs/dbraw/zinc/26/44/96/254264496.db2.gz DFWMABANQDYHOM-NVXWUHKLSA-N 0 3 322.355 3.207 20 30 DGEDHN CC(C)(CNCc1cnc2ccc(C#N)cn12)Oc1ccccc1 ZINC000344441793 254271100 /nfs/dbraw/zinc/27/11/00/254271100.db2.gz IREZSTBCWNZTSY-UHFFFAOYSA-N 0 3 320.396 3.153 20 30 DGEDHN CN1CCN(Cc2cc(F)ccc2C#N)C2(CCCCC2)C1 ZINC000345760551 254394955 /nfs/dbraw/zinc/39/49/55/254394955.db2.gz RUFOBHVPQWOMST-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C2CC2)C1 ZINC000344014820 533185410 /nfs/dbraw/zinc/18/54/10/533185410.db2.gz DBNHCPCEEAZTDS-RDJZCZTQSA-N 0 3 311.429 3.054 20 30 DGEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccc(F)cc2)cc1 ZINC000344131470 533190533 /nfs/dbraw/zinc/19/05/33/533190533.db2.gz MGSAGSLHWAKGCD-SJKOYZFVSA-N 0 3 312.344 3.200 20 30 DGEDHN COCCOCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000289637138 221119897 /nfs/dbraw/zinc/11/98/97/221119897.db2.gz GVIYSVZSCPGGNV-UHFFFAOYSA-N 0 3 310.397 3.011 20 30 DGEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(OC(C)C)c1 ZINC000331004774 533223404 /nfs/dbraw/zinc/22/34/04/533223404.db2.gz GUGZZMKOXKNRDM-UONOGXRCSA-N 0 3 320.433 3.270 20 30 DGEDHN COc1cc(CN2CCC(c3ccncc3)CC2)ccc1C#N ZINC000289950957 221338085 /nfs/dbraw/zinc/33/80/85/221338085.db2.gz XVIQSVAFKCIVAL-UHFFFAOYSA-N 0 3 307.397 3.341 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000271623981 209070292 /nfs/dbraw/zinc/07/02/92/209070292.db2.gz DNTJHWYFAZIFJD-MJGOQNOKSA-N 0 3 310.397 3.039 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181745120 533373534 /nfs/dbraw/zinc/37/35/34/533373534.db2.gz UGVFFAFTASNPGG-OAHLLOKOSA-N 0 3 323.396 3.268 20 30 DGEDHN C[C@@H](NCCSC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000181542884 533401057 /nfs/dbraw/zinc/40/10/57/533401057.db2.gz GRPCRYAYGRLIGB-SNVBAGLBSA-N 0 3 304.337 3.493 20 30 DGEDHN CO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000443071666 533418066 /nfs/dbraw/zinc/41/80/66/533418066.db2.gz ODPUXDAEDHWKMC-DOTOQJQBSA-N 0 3 302.418 3.368 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000181788604 533424996 /nfs/dbraw/zinc/42/49/96/533424996.db2.gz JRRAXRXZWRNFGF-CXAGYDPISA-N 0 3 316.426 3.209 20 30 DGEDHN COc1ccc(CN(CCC(C)(C)C#N)[C@@H](CO)C(C)C)cc1 ZINC000346933779 533548481 /nfs/dbraw/zinc/54/84/81/533548481.db2.gz CDJNJINHOMVJBE-SFHVURJKSA-N 0 3 318.461 3.454 20 30 DGEDHN Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)s1 ZINC000428787372 533623070 /nfs/dbraw/zinc/62/30/70/533623070.db2.gz YFCRFTBBHXBARG-MRXNPFEDSA-N 0 3 313.426 3.285 20 30 DGEDHN COc1cccc2c1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000600515415 400086326 /nfs/dbraw/zinc/08/63/26/400086326.db2.gz RYXFCZLQASIFAS-INIZCTEOSA-N 0 3 320.392 3.310 20 30 DGEDHN COc1cc2c(cc1OC)CN(CCc1ccc(C#N)cc1)CC2 ZINC000595286508 400117770 /nfs/dbraw/zinc/11/77/70/400117770.db2.gz JVAVPJJCUORAHG-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN CC[C@@H](CCc1ccccc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000600604548 400105565 /nfs/dbraw/zinc/10/55/65/400105565.db2.gz CHOKLNFQROJJEI-RBUKOAKNSA-N 0 3 321.424 3.086 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000303792737 400115086 /nfs/dbraw/zinc/11/50/86/400115086.db2.gz VELNQZHMJSRWRE-QZTJIDSGSA-N 0 3 312.457 3.373 20 30 DGEDHN CC(C)[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000008002610 400116526 /nfs/dbraw/zinc/11/65/26/400116526.db2.gz NUGXPUDVDUZGNB-IBGZPJMESA-N 0 3 307.397 3.484 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C2CCCC2)CC1 ZINC000608502346 400082117 /nfs/dbraw/zinc/08/21/17/400082117.db2.gz UOCLHSGKGDZZBL-MRXNPFEDSA-N 0 3 304.478 3.478 20 30 DGEDHN C=CCC[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000581717222 400082416 /nfs/dbraw/zinc/08/24/16/400082416.db2.gz IAIBNRJNJJOMBU-NVXWUHKLSA-N 0 3 319.376 3.456 20 30 DGEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2cc(Cl)ccc12 ZINC000609574520 400176841 /nfs/dbraw/zinc/17/68/41/400176841.db2.gz KRMHZHFOWFGSRI-GFCCVEGCSA-N 0 3 300.793 3.397 20 30 DGEDHN N#C[C@H](c1ccc(Cl)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000595312978 400125284 /nfs/dbraw/zinc/12/52/84/400125284.db2.gz QNFSOOZQXFQYIO-DLBZAZTESA-N 0 3 303.837 3.465 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000600679932 400128294 /nfs/dbraw/zinc/12/82/94/400128294.db2.gz IVPCNYGYDHSBNW-CVEARBPZSA-N 0 3 300.446 3.459 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595336367 400130427 /nfs/dbraw/zinc/13/04/27/400130427.db2.gz PDIPUCJGEXYXBR-WOJBJXKFSA-N 0 3 305.425 3.458 20 30 DGEDHN C[C@@H]1C[C@H](Nc2cnccc2C#N)CCN1Cc1ccccc1 ZINC000091734703 400133856 /nfs/dbraw/zinc/13/38/56/400133856.db2.gz IKYHFSSUEBCARA-CRAIPNDOSA-N 0 3 306.413 3.418 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccnc(-c2ccccc2)c1 ZINC000600756390 400144850 /nfs/dbraw/zinc/14/48/50/400144850.db2.gz HVOIQRRSEHCAIF-QGZVFWFLSA-N 0 3 309.413 3.139 20 30 DGEDHN C[C@@H](NCCC(=O)N1CCc2ccccc21)c1cccc(C#N)c1 ZINC000585815950 400145221 /nfs/dbraw/zinc/14/52/21/400145221.db2.gz DFNJUXIEEALLMC-OAHLLOKOSA-N 0 3 319.408 3.188 20 30 DGEDHN C=C[C@H](NC[C@@H](c1ccc(Cl)cc1)N(C)CCC)C(=O)OC ZINC000586532528 400147612 /nfs/dbraw/zinc/14/76/12/400147612.db2.gz LUDWLZYHOLPSCU-HOTGVXAUSA-N 0 3 324.852 3.040 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000586790273 400156912 /nfs/dbraw/zinc/15/69/12/400156912.db2.gz IKSPBMXLPBBMBJ-QWHCGFSZSA-N 0 3 321.380 3.301 20 30 DGEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000319632910 400161342 /nfs/dbraw/zinc/16/13/42/400161342.db2.gz BBZQYMRBFRXRTI-RYUDHWBXSA-N 0 3 306.369 3.140 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N1CCN(C2CCCC2)CC1 ZINC000610211297 400222789 /nfs/dbraw/zinc/22/27/89/400222789.db2.gz LNGZXHUHZOCKTH-UHFFFAOYSA-N 0 3 320.440 3.480 20 30 DGEDHN CC(=O)NCCc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000092738596 400199667 /nfs/dbraw/zinc/19/96/67/400199667.db2.gz AOXHFCUNUZTDFT-OAHLLOKOSA-N 0 3 321.424 3.088 20 30 DGEDHN CC(C#N)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000609920146 400201411 /nfs/dbraw/zinc/20/14/11/400201411.db2.gz NOOJTQMHXQOJDK-CSMHCCOUSA-N 0 3 316.245 3.172 20 30 DGEDHN CC[NH+]1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000022729405 400203237 /nfs/dbraw/zinc/20/32/37/400203237.db2.gz XSDRSQJGSMNPPU-MHWRWJLKSA-N 0 3 311.223 3.058 20 30 DGEDHN CCn1ccnc1CNC1CCC(Oc2ccccc2C#N)CC1 ZINC000610007521 400207845 /nfs/dbraw/zinc/20/78/45/400207845.db2.gz DYBCHOJEOMGDQH-UHFFFAOYSA-N 0 3 324.428 3.254 20 30 DGEDHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000595621864 400210952 /nfs/dbraw/zinc/21/09/52/400210952.db2.gz YYBRPSBBSSIRCA-HUUCEWRRSA-N 0 3 322.836 3.014 20 30 DGEDHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000595621811 400211091 /nfs/dbraw/zinc/21/10/91/400211091.db2.gz YYBRPSBBSSIRCA-GJZGRUSLSA-N 0 3 322.836 3.014 20 30 DGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H](c2ccccc2)C2CC2)cc1 ZINC000023678705 400211409 /nfs/dbraw/zinc/21/14/09/400211409.db2.gz MFKGORAKMCCEKM-QUCCMNQESA-N 0 3 322.408 3.039 20 30 DGEDHN COc1ccc([C@@H](NCCOCCC#N)c2ccccc2)cc1 ZINC000595636738 400213757 /nfs/dbraw/zinc/21/37/57/400213757.db2.gz SSTDEEJCNZWDNL-IBGZPJMESA-N 0 3 310.397 3.304 20 30 DGEDHN CCN(CCOC[C@@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000610160965 400217108 /nfs/dbraw/zinc/21/71/08/400217108.db2.gz BGPASOAJXPGJBQ-QAPCUYQASA-N 0 3 302.418 3.137 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)CCCCCC#N)CN1Cc1ccccc1 ZINC000588644100 400218931 /nfs/dbraw/zinc/21/89/31/400218931.db2.gz VIJNWJWSRHAFEZ-WMZOPIPTSA-N 0 3 313.445 3.240 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000386704869 400263601 /nfs/dbraw/zinc/26/36/01/400263601.db2.gz VRRSBZVKFIZARY-GOSISDBHSA-N 0 3 313.445 3.097 20 30 DGEDHN COc1ccccc1OCCCNCc1ccc(C#N)s1 ZINC000610511382 400268052 /nfs/dbraw/zinc/26/80/52/400268052.db2.gz ADNGFVJUGVTARH-UHFFFAOYSA-N 0 3 302.399 3.187 20 30 DGEDHN Cc1sc(NC(=O)CNC2(CC(C)C)CC2)c(C#N)c1C ZINC000595830472 400274782 /nfs/dbraw/zinc/27/47/82/400274782.db2.gz FGMXPXOAVBUYNY-UHFFFAOYSA-N 0 3 305.447 3.343 20 30 DGEDHN CN(C(=O)CN(CCC1CC1)CC1CC1)C1(C#N)CCCCC1 ZINC000595870432 400283264 /nfs/dbraw/zinc/28/32/64/400283264.db2.gz CNLBUQPMODCMEB-UHFFFAOYSA-N 0 3 317.477 3.183 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCN1Cc3ccccc3C1)CC2 ZINC000589336841 400290180 /nfs/dbraw/zinc/29/01/80/400290180.db2.gz KFSYFSDMSHTZKZ-FQEVSTJZSA-N 0 3 303.409 3.151 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N1CCN(CC(C)C)CC1 ZINC000610732839 400298018 /nfs/dbraw/zinc/29/80/18/400298018.db2.gz GVSNLFFGOXEFEI-UHFFFAOYSA-N 0 3 308.429 3.193 20 30 DGEDHN CC(C)C1CCC(N2CCN(c3cccnc3C#N)CC2)CC1 ZINC000589584181 400306497 /nfs/dbraw/zinc/30/64/97/400306497.db2.gz IJSTWDHNPWPQJD-UHFFFAOYSA-N 0 3 312.461 3.290 20 30 DGEDHN Cc1cc(NCCN2CCCC[C@H]2C)cc(C#N)c1[N+](=O)[O-] ZINC000596074526 400310202 /nfs/dbraw/zinc/31/02/02/400310202.db2.gz BLLNCCDIXLSODT-CYBMUJFWSA-N 0 3 302.378 3.061 20 30 DGEDHN Cc1ccc(C#N)nc1NC1CCN(CCc2ccccc2)CC1 ZINC000596078727 400310848 /nfs/dbraw/zinc/31/08/48/400310848.db2.gz YGNNXOVMBWQVAZ-UHFFFAOYSA-N 0 3 320.440 3.381 20 30 DGEDHN C[C@H](CNc1nc2ncccc2cc1C#N)N1CCC[C@H](C)C1 ZINC000596079086 400311113 /nfs/dbraw/zinc/31/11/13/400311113.db2.gz YGVVUKHMQLSHEJ-UONOGXRCSA-N 0 3 309.417 3.034 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1F ZINC000595787464 400259634 /nfs/dbraw/zinc/25/96/34/400259634.db2.gz JBRVKLXVCTUCGA-SJLPKXTDSA-N 0 3 302.393 3.478 20 30 DGEDHN Cc1ccc(C#N)nc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000589104752 400260042 /nfs/dbraw/zinc/26/00/42/400260042.db2.gz AXUSZGANNXFPAA-GOSISDBHSA-N 0 3 306.413 3.338 20 30 DGEDHN C=CCOc1ccccc1CNCCC(=O)Nc1ccccc1 ZINC000113346646 400379898 /nfs/dbraw/zinc/37/98/98/400379898.db2.gz TTYYPAMZLFMURX-UHFFFAOYSA-N 0 3 310.397 3.370 20 30 DGEDHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000030532531 400327764 /nfs/dbraw/zinc/32/77/64/400327764.db2.gz MZEPVGYDSHZJFF-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN COc1ccc(CN(C)CCOc2cccc(C)c2)cc1C#N ZINC000610991739 400334506 /nfs/dbraw/zinc/33/45/06/400334506.db2.gz XRURKSYTLKUXLU-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN CCOC(=O)CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000610997567 400337529 /nfs/dbraw/zinc/33/75/29/400337529.db2.gz XPQJZLJZNLNSSJ-UHFFFAOYSA-N 0 3 300.402 3.114 20 30 DGEDHN C[C@H](N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000589949549 400341524 /nfs/dbraw/zinc/34/15/24/400341524.db2.gz BOECZOYTMDNOOG-PXWWUCIGSA-N 0 3 316.298 3.194 20 30 DGEDHN C=CCN(CCC#N)Cc1ccc(OCCN2CCCC2)cc1 ZINC000590050694 400351190 /nfs/dbraw/zinc/35/11/90/400351190.db2.gz GTLGQPKZFLBRSG-UHFFFAOYSA-N 0 3 313.445 3.063 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC000590168610 400366392 /nfs/dbraw/zinc/36/63/92/400366392.db2.gz FOQVWNHWVGMLJS-DOTOQJQBSA-N 0 3 302.393 3.499 20 30 DGEDHN Cc1cc(C)c(C#N)c(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000072672757 400397271 /nfs/dbraw/zinc/39/72/71/400397271.db2.gz JVNFBLULJCJJSR-QGZVFWFLSA-N 0 3 312.392 3.424 20 30 DGEDHN Cc1ccsc1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000041894077 400415830 /nfs/dbraw/zinc/41/58/30/400415830.db2.gz BOENACSGJLJEJG-UHFFFAOYSA-N 0 3 313.426 3.389 20 30 DGEDHN N#Cc1cnc(N[C@H]2CCN(C3CCCCC3)C2)c(Cl)c1 ZINC000596477215 400424540 /nfs/dbraw/zinc/42/45/40/400424540.db2.gz HIPIZQYIVCBHOR-ZDUSSCGKSA-N 0 3 304.825 3.426 20 30 DGEDHN N#CCCCCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611575404 400426160 /nfs/dbraw/zinc/42/61/60/400426160.db2.gz HDRWDLRIKZJKLX-CQSZACIVSA-N 0 3 300.324 3.106 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CN(C)CC(C)(C)C ZINC000602167501 400419867 /nfs/dbraw/zinc/41/98/67/400419867.db2.gz QJSHRDCEFYTSQS-AWEZNQCLSA-N 0 3 301.434 3.056 20 30 DGEDHN CC(C)(C)CCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551941 400420086 /nfs/dbraw/zinc/42/00/86/400420086.db2.gz XSVGQAOGARWNRT-KRWDZBQOSA-N 0 3 303.425 3.444 20 30 DGEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CC2CCCC2)CC1 ZINC000611552731 400420380 /nfs/dbraw/zinc/42/03/80/400420380.db2.gz JMEKHWSECJFJCG-GOSISDBHSA-N 0 3 301.409 3.198 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000611669952 400435032 /nfs/dbraw/zinc/43/50/32/400435032.db2.gz KFIBXDDJVBMMEZ-GOSISDBHSA-N 0 3 315.461 3.235 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000611670758 400435329 /nfs/dbraw/zinc/43/53/29/400435329.db2.gz SQMPZJCSTJJLTF-SFHVURJKSA-N 0 3 317.477 3.459 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000073298034 400440849 /nfs/dbraw/zinc/44/08/49/400440849.db2.gz MCTQLSVYPWJTSQ-AWEZNQCLSA-N 0 3 311.429 3.038 20 30 DGEDHN COCCN(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000042977068 400447919 /nfs/dbraw/zinc/44/79/19/400447919.db2.gz HWMCNDHVHLCMIF-UHFFFAOYSA-N 0 3 310.397 3.086 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000617779868 400452572 /nfs/dbraw/zinc/45/25/72/400452572.db2.gz JUMXJRILCUPXAA-SJLPKXTDSA-N 0 3 300.446 3.494 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000043086140 400452930 /nfs/dbraw/zinc/45/29/30/400452930.db2.gz FCVYTMGBJKXZMM-CVEARBPZSA-N 0 3 316.445 3.244 20 30 DGEDHN CCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCN(CC)C1 ZINC000596796216 400502274 /nfs/dbraw/zinc/50/22/74/400502274.db2.gz IZLUHHQQXMRSIO-CYBMUJFWSA-N 0 3 320.824 3.160 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccccc1Cl ZINC000602582562 400504070 /nfs/dbraw/zinc/50/40/70/400504070.db2.gz NNMVLQFDCPJBFZ-AWEZNQCLSA-N 0 3 322.836 3.407 20 30 DGEDHN CCN(Cc1cccc(C#N)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602615402 400511975 /nfs/dbraw/zinc/51/19/75/400511975.db2.gz GMAMNRLOHXQWFS-FQEVSTJZSA-N 0 3 320.440 3.050 20 30 DGEDHN Cc1ccc(CN(CC(C)C)C(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000602526467 400488497 /nfs/dbraw/zinc/48/84/97/400488497.db2.gz XCNHPGKZRATNLY-SFHVURJKSA-N 0 3 315.461 3.309 20 30 DGEDHN CCSc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccn1 ZINC000602626015 400515164 /nfs/dbraw/zinc/51/51/64/400515164.db2.gz WQRLNYRJAVBGDF-AWEZNQCLSA-N 0 3 319.474 3.382 20 30 DGEDHN C[C@H]1CN(c2ccccc2CN2CCC[C@@H](CC#N)C2)CCO1 ZINC000597177616 400577437 /nfs/dbraw/zinc/57/74/37/400577437.db2.gz QKLYJNVJUMLYDY-IRXDYDNUSA-N 0 3 313.445 3.037 20 30 DGEDHN CCN(C(=O)[C@H](C)CC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000596886766 400517955 /nfs/dbraw/zinc/51/79/55/400517955.db2.gz PULOLFGRAPSZRP-JFIYKMOQSA-N 0 3 313.445 3.220 20 30 DGEDHN N#CC1(c2ccccn2)CCN(CC2CCSCC2)CC1 ZINC000602649803 400523844 /nfs/dbraw/zinc/52/38/44/400523844.db2.gz ATIHMGRPCNLKSO-UHFFFAOYSA-N 0 3 301.459 3.082 20 30 DGEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CCNC(C)(C)C3)c2c1 ZINC000591444521 400527459 /nfs/dbraw/zinc/52/74/59/400527459.db2.gz FFYWASQFVGNMHN-UHFFFAOYSA-N 0 3 314.820 3.257 20 30 DGEDHN C[C@H](OC[C@H](O)CNCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591764331 400553909 /nfs/dbraw/zinc/55/39/09/400553909.db2.gz DTPQNTZJWPBBPP-XJKSGUPXSA-N 0 3 322.836 3.062 20 30 DGEDHN CC(C)(CC#N)CNC[C@H](O)COc1ccc2ccccc2c1 ZINC000591770099 400554698 /nfs/dbraw/zinc/55/46/98/400554698.db2.gz AFSYEOARZIRUBW-KRWDZBQOSA-N 0 3 312.413 3.109 20 30 DGEDHN N#CC1(c2ccc(CN3CCC([C@H]4CCOC4)CC3)cc2)CC1 ZINC000597084023 400555518 /nfs/dbraw/zinc/55/55/18/400555518.db2.gz XNLLVESKSJMLFW-SFHVURJKSA-N 0 3 310.441 3.490 20 30 DGEDHN COC(=O)c1ccc2c(c1)[C@H](CNCc1ccc(C#N)o1)CCC2 ZINC000597200154 400586424 /nfs/dbraw/zinc/58/64/24/400586424.db2.gz GOSORXHYOYFWKR-HNNXBMFYSA-N 0 3 324.380 3.148 20 30 DGEDHN N#CCCn1cc(CN2CC[C@H]3C[C@H]3C2)c(-c2ccccc2)n1 ZINC000597223458 400590839 /nfs/dbraw/zinc/59/08/39/400590839.db2.gz PALLTHGQPWJKIR-IRXDYDNUSA-N 0 3 306.413 3.306 20 30 DGEDHN Cc1cc(CN2CCC(Nc3ccccc3C#N)CC2)ccn1 ZINC000602899510 400601578 /nfs/dbraw/zinc/60/15/78/400601578.db2.gz LAUYENJGMJSYGH-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000075678066 400602730 /nfs/dbraw/zinc/60/27/30/400602730.db2.gz HNAKMPPDSBLRNX-HOCLYGCPSA-N 0 3 308.385 3.373 20 30 DGEDHN C[C@H](CC#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000597277847 400605488 /nfs/dbraw/zinc/60/54/88/400605488.db2.gz IILANPZHFFOQBB-JFIYKMOQSA-N 0 3 313.445 3.048 20 30 DGEDHN N#Cc1ccc(OCCN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000592136247 400610708 /nfs/dbraw/zinc/61/07/08/400610708.db2.gz RVVLYPGYXKDLGT-IBGZPJMESA-N 0 3 308.381 3.090 20 30 DGEDHN Cc1ccccc1C1(NCCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000592139340 400612644 /nfs/dbraw/zinc/61/26/44/400612644.db2.gz ANECFASDVBEYME-UHFFFAOYSA-N 0 3 319.408 3.474 20 30 DGEDHN CN(CCOc1ccc(F)cc1)CCOc1cccc(C#N)c1 ZINC000603836708 400720667 /nfs/dbraw/zinc/72/06/67/400720667.db2.gz HOUXSXPTWJAKOV-UHFFFAOYSA-N 0 3 314.360 3.087 20 30 DGEDHN N#Cc1cccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC000603865081 400726263 /nfs/dbraw/zinc/72/62/63/400726263.db2.gz QFBXMRFUFRLCJY-KDURUIRLSA-N 0 3 303.409 3.126 20 30 DGEDHN N#Cc1ccc(Cl)cc1NC(=O)CNC1(C2CCC2)CC1 ZINC000593080203 400755980 /nfs/dbraw/zinc/75/59/80/400755980.db2.gz KGEWDAISDDOOQL-UHFFFAOYSA-N 0 3 303.793 3.072 20 30 DGEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000051053339 400693613 /nfs/dbraw/zinc/69/36/13/400693613.db2.gz JQYAVCMOMDSSQD-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)nc1 ZINC000154385775 400694669 /nfs/dbraw/zinc/69/46/69/400694669.db2.gz HSYICBLBEUEOEL-UHFFFAOYSA-N 0 3 308.429 3.430 20 30 DGEDHN C=CCCSCCNC(=O)C(C#N)CCc1ccccc1 ZINC000597967151 400704940 /nfs/dbraw/zinc/70/49/40/400704940.db2.gz PTEBLSGEZVPHDU-MRXNPFEDSA-N 0 3 302.443 3.184 20 30 DGEDHN C[C@@H](CCC#N)CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000618887915 400709527 /nfs/dbraw/zinc/70/95/27/400709527.db2.gz MXAJQBCNPJPVRQ-NHYWBVRUSA-N 0 3 323.799 3.114 20 30 DGEDHN CC1CCN(CCNc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411739 400712499 /nfs/dbraw/zinc/71/24/99/400712499.db2.gz MKCRGYWJQDXANH-UHFFFAOYSA-N 0 3 300.450 3.395 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000613422782 400714580 /nfs/dbraw/zinc/71/45/80/400714580.db2.gz AVWZLAINTQNGLB-INIZCTEOSA-N 0 3 312.461 3.315 20 30 DGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000618904943 400715532 /nfs/dbraw/zinc/71/55/32/400715532.db2.gz MZXPKDQEHDMFJX-QGZVFWFLSA-N 0 3 320.440 3.050 20 30 DGEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1nc(C(C)(C)C)ccc1C#N ZINC000613427291 400717152 /nfs/dbraw/zinc/71/71/52/400717152.db2.gz ZCEOHCWYDYTIME-UKRRQHHQSA-N 0 3 300.450 3.027 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000604912418 400814912 /nfs/dbraw/zinc/81/49/12/400814912.db2.gz ZMSGSJRKSCNZQH-RHSMWYFYSA-N 0 3 303.450 3.116 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000054226410 400815477 /nfs/dbraw/zinc/81/54/77/400815477.db2.gz GLUMBEJJRYIUEQ-BEFAXECRSA-N 0 3 319.408 3.124 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000598253040 400771691 /nfs/dbraw/zinc/77/16/91/400771691.db2.gz AYNSZULILDTQDY-VQIMIIECSA-N 0 3 320.392 3.268 20 30 DGEDHN C[C@@H]1CCC[C@@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000619158364 400785145 /nfs/dbraw/zinc/78/51/45/400785145.db2.gz DHKUTLZWBVOULX-IIDMSEBBSA-N 0 3 311.429 3.317 20 30 DGEDHN CO[C@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000598393406 400801911 /nfs/dbraw/zinc/80/19/11/400801911.db2.gz HUYVUBIHSNGRSO-QZTJIDSGSA-N 0 3 314.429 3.080 20 30 DGEDHN Cc1cc(NC2CCN(Cc3cccc(C#N)c3)CC2)nc(C)n1 ZINC000593515949 400870385 /nfs/dbraw/zinc/87/03/85/400870385.db2.gz UIJHDGRGCKWJKQ-UHFFFAOYSA-N 0 3 321.428 3.042 20 30 DGEDHN COCCO[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000179355643 400877620 /nfs/dbraw/zinc/87/76/20/400877620.db2.gz DKRQHQZTRJCWHJ-QGZVFWFLSA-N 0 3 316.445 3.115 20 30 DGEDHN COc1cc(CNCCN2CCCc3ccccc32)ccc1C#N ZINC000619652549 400877727 /nfs/dbraw/zinc/87/77/27/400877727.db2.gz ISGMKKIAQQMZLT-UHFFFAOYSA-N 0 3 321.424 3.109 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@@]1(CO)CCCc2ccccc21 ZINC000619654025 400878276 /nfs/dbraw/zinc/87/82/76/400878276.db2.gz ZRIOBHROSFLEPN-HXUWFJFHSA-N 0 3 306.409 3.180 20 30 DGEDHN CC(C)CC[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000180031523 400881752 /nfs/dbraw/zinc/88/17/52/400881752.db2.gz HBUXWIOAHIXNEO-HNNXBMFYSA-N 0 3 307.825 3.047 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000180019322 400881979 /nfs/dbraw/zinc/88/19/79/400881979.db2.gz JSLJBANTBRYGGG-GUYJKWIASA-N 0 3 306.837 3.317 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000180418623 400882995 /nfs/dbraw/zinc/88/29/95/400882995.db2.gz NTNFMRCASNHOHC-OAHLLOKOSA-N 0 3 303.450 3.292 20 30 DGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)CC(C)(C)C#N)CCC2 ZINC000598596003 400840528 /nfs/dbraw/zinc/84/05/28/400840528.db2.gz NHNGASINJRIELT-TZMCWYRMSA-N 0 3 307.463 3.062 20 30 DGEDHN CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598615437 400843946 /nfs/dbraw/zinc/84/39/46/400843946.db2.gz AXDLTWFPUFJTPE-GOEBONIOSA-N 0 3 304.434 3.379 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCn1cnnc1C1CC1 ZINC000619508371 400858196 /nfs/dbraw/zinc/85/81/96/400858196.db2.gz KCJGZUKZRXHSBG-GOSISDBHSA-N 0 3 321.428 3.084 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCSc2ccc(F)cc21 ZINC000598699686 400859899 /nfs/dbraw/zinc/85/98/99/400859899.db2.gz HTTOKARGYPVWQY-JSGCOSHPSA-N 0 3 308.422 3.253 20 30 DGEDHN CC(C)(C)Oc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598702673 400861078 /nfs/dbraw/zinc/86/10/78/400861078.db2.gz XITIPJYABHKUTF-OAHLLOKOSA-N 0 3 304.434 3.254 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(-c2cccnc2)cc1 ZINC000598719741 400865014 /nfs/dbraw/zinc/86/50/14/400865014.db2.gz KTXYHFRNYNBAGN-GOSISDBHSA-N 0 3 309.413 3.139 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(CC)C1CCC1)C(C)C ZINC000606641562 400937317 /nfs/dbraw/zinc/93/73/17/400937317.db2.gz IKXMCBYMTIGOCQ-KRWDZBQOSA-N 0 3 307.482 3.269 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599064399 400946944 /nfs/dbraw/zinc/94/69/44/400946944.db2.gz MFEHPXCPMKFAJQ-CQROYNQRSA-N 0 3 310.319 3.203 20 30 DGEDHN CC[C@@H](NCC1(CC#N)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000593713311 400897177 /nfs/dbraw/zinc/89/71/77/400897177.db2.gz TXSQZGPXZWGWAH-CQSZACIVSA-N 0 3 318.417 3.447 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C#N)CC)N(CC)CC)cc1 ZINC000593724912 400899112 /nfs/dbraw/zinc/89/91/12/400899112.db2.gz BGTSEGGMGFCPOG-FUHWJXTLSA-N 0 3 315.461 3.298 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C#N)CC)N(CC)CC)cc1 ZINC000593724914 400899421 /nfs/dbraw/zinc/89/94/21/400899421.db2.gz BGTSEGGMGFCPOG-SJLPKXTDSA-N 0 3 315.461 3.298 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1Cc2ccccc2NC1=O ZINC000599074033 400952398 /nfs/dbraw/zinc/95/23/98/400952398.db2.gz JHBPBQKFXBHMIF-RBUKOAKNSA-N 0 3 317.392 3.089 20 30 DGEDHN CC[C@@H]1COC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000593791743 400910804 /nfs/dbraw/zinc/91/08/04/400910804.db2.gz ZWZTUJKNFLVDFW-IAGOWNOFSA-N 0 3 314.429 3.175 20 30 DGEDHN CC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(C)cc1 ZINC000194014611 400919836 /nfs/dbraw/zinc/91/98/36/400919836.db2.gz OWNDRDAARHQSHS-QGZVFWFLSA-N 0 3 313.445 3.378 20 30 DGEDHN Cc1cc(CN[C@H]2CC[C@@H](CC#N)C2)ncc1Br ZINC000598980179 400920005 /nfs/dbraw/zinc/92/00/05/400920005.db2.gz JTMAOLOWIDTETA-RYUDHWBXSA-N 0 3 308.223 3.325 20 30 DGEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)ccn1 ZINC000599004808 400925022 /nfs/dbraw/zinc/92/50/22/400925022.db2.gz HCVOJHAGHLZWHD-UHFFFAOYSA-N 0 3 307.397 3.057 20 30 DGEDHN N#Cc1ccc(CN[C@@H](CN2CCCCC2)c2ccccc2)nc1 ZINC000593976195 400932435 /nfs/dbraw/zinc/93/24/35/400932435.db2.gz FFTSDEZAPBSQKG-FQEVSTJZSA-N 0 3 320.440 3.270 20 30 DGEDHN CN(C)[C@@H](CNc1ncccc1C#N)c1ccc(Cl)cc1 ZINC000080691620 400981116 /nfs/dbraw/zinc/98/11/16/400981116.db2.gz OQIBEMNTVFLOLZ-HNNXBMFYSA-N 0 3 300.793 3.321 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594124465 400996217 /nfs/dbraw/zinc/99/62/17/400996217.db2.gz WHFOXQIVKVRJCE-IAGOWNOFSA-N 0 3 312.417 3.005 20 30 DGEDHN Cc1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1C#N ZINC000599257841 401003333 /nfs/dbraw/zinc/00/33/33/401003333.db2.gz MHBZWYQOUNRILR-UHFFFAOYSA-N 0 3 319.408 3.130 20 30 DGEDHN C=CCNC(=O)[C@H](C)NCC1(c2cccc(C)c2)CCCCC1 ZINC000615322432 401056127 /nfs/dbraw/zinc/05/61/27/401056127.db2.gz JGEDKXMFDSUEEN-KRWDZBQOSA-N 0 3 314.473 3.477 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000247801093 401062683 /nfs/dbraw/zinc/06/26/83/401062683.db2.gz VGFCNRXRSUVCEG-UHOFOFEASA-N 0 3 318.392 3.155 20 30 DGEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@H](C)C1(F)F ZINC000599514704 401064461 /nfs/dbraw/zinc/06/44/61/401064461.db2.gz YVXOCIVRSRPTCK-BETUJISGSA-N 0 3 321.371 3.110 20 30 DGEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000594429864 401066105 /nfs/dbraw/zinc/06/61/05/401066105.db2.gz XLTDBPXJSOFEIN-CJNGLKHVSA-N 0 3 305.397 3.146 20 30 DGEDHN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599344520 401027615 /nfs/dbraw/zinc/02/76/15/401027615.db2.gz FBSYQPRKRNCYPC-QGZVFWFLSA-N 0 3 314.429 3.278 20 30 DGEDHN CCC[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599345465 401028268 /nfs/dbraw/zinc/02/82/68/401028268.db2.gz QYTKLXXDIAQXRF-MOPGFXCFSA-N 0 3 324.424 3.429 20 30 DGEDHN C=C(C)[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599367920 401035794 /nfs/dbraw/zinc/03/57/94/401035794.db2.gz OONOITAGFHFNPD-CJNGLKHVSA-N 0 3 306.356 3.226 20 30 DGEDHN Cc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1C#N ZINC000599396467 401041689 /nfs/dbraw/zinc/04/16/89/401041689.db2.gz AQNQIRYSDWAAQS-HXUWFJFHSA-N 0 3 306.409 3.180 20 30 DGEDHN Cc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1C#N ZINC000599412499 401042923 /nfs/dbraw/zinc/04/29/23/401042923.db2.gz KCWOUQJPSDQYSE-UHFFFAOYSA-N 0 3 309.369 3.449 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000247015681 401043480 /nfs/dbraw/zinc/04/34/80/401043480.db2.gz HGKUZCCAUZAGFV-XBFCOCLRSA-N 0 3 317.820 3.271 20 30 DGEDHN N#Cc1cc(CN(Cc2ccccc2)C2(CO)CCCC2)ccn1 ZINC000599431261 401046815 /nfs/dbraw/zinc/04/68/15/401046815.db2.gz BWQNCNMPNNCKBL-UHFFFAOYSA-N 0 3 321.424 3.261 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)C2(CO)CCCC2)nc1 ZINC000599431309 401047797 /nfs/dbraw/zinc/04/77/97/401047797.db2.gz DVUVWGRMRWXMRK-UHFFFAOYSA-N 0 3 321.424 3.261 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@H]2CCC[C@H]21 ZINC000599646679 401101699 /nfs/dbraw/zinc/10/16/99/401101699.db2.gz JXARPLCPGCUKBN-KSZLIROESA-N 0 3 312.413 3.030 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2C)[C@@H]2CCC[C@@H]21 ZINC000599656028 401104838 /nfs/dbraw/zinc/10/48/38/401104838.db2.gz SNNJWRSLDGPAPZ-KZNAEPCWSA-N 0 3 312.413 3.030 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599677797 401110492 /nfs/dbraw/zinc/11/04/92/401110492.db2.gz LPVKYTSQQCGLLA-HRAATJIYSA-N 0 3 320.436 3.275 20 30 DGEDHN N#CCc1cccc2c1CCN(CCCOCC(F)(F)F)C2 ZINC000599678384 401112797 /nfs/dbraw/zinc/11/27/97/401112797.db2.gz IQGQLDCQJOFMFH-UHFFFAOYSA-N 0 3 312.335 3.080 20 30 DGEDHN N#Cc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000060549974 401125547 /nfs/dbraw/zinc/12/55/47/401125547.db2.gz BTLXEKZTVSGBBF-UHFFFAOYSA-N 0 3 305.381 3.406 20 30 DGEDHN CC(C)[C@@H](CNCc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000594517887 401093726 /nfs/dbraw/zinc/09/37/26/401093726.db2.gz FKEHHXBKAWOAOQ-MRXNPFEDSA-N 0 3 302.418 3.262 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1cccc(C)c1)C(C)C ZINC000599626394 401094155 /nfs/dbraw/zinc/09/41/55/401094155.db2.gz FNKXXONAJPHPGS-LPHOPBHVSA-N 0 3 315.461 3.290 20 30 DGEDHN Cc1cccc([C@@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C(C)C)c1 ZINC000599628665 401095198 /nfs/dbraw/zinc/09/51/98/401095198.db2.gz CVCYIUYUESCQMY-WBVHZDCISA-N 0 3 313.445 3.233 20 30 DGEDHN C=CCCSCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000594709822 401157266 /nfs/dbraw/zinc/15/72/66/401157266.db2.gz FQEXMOAONIAGNT-ZDUSSCGKSA-N 0 3 313.488 3.050 20 30 DGEDHN FC1(F)CCCN(CC#CCN2CCCC(F)(F)CC2)CC1 ZINC000625770783 401208678 /nfs/dbraw/zinc/20/86/78/401208678.db2.gz SQGLUNXCVGSOSL-UHFFFAOYSA-N 0 3 320.374 3.232 20 30 DGEDHN C=CCC1(NCc2nc3ccccc3c(=O)n2C)CCCCC1 ZINC000625935743 401259439 /nfs/dbraw/zinc/25/94/39/401259439.db2.gz LHFGRPINSHBJGH-UHFFFAOYSA-N 0 3 311.429 3.302 20 30 DGEDHN C=CCN1CCC(NCc2cc(OC)c(OC)cc2Cl)CC1 ZINC000631063551 401381943 /nfs/dbraw/zinc/38/19/43/401381943.db2.gz BIEMDAHATGBGCO-UHFFFAOYSA-N 0 3 324.852 3.097 20 30 DGEDHN C=CCn1cc(CN[C@H](C)CCc2c[nH]c3ccccc23)nn1 ZINC000631638728 401521249 /nfs/dbraw/zinc/52/12/49/401521249.db2.gz PODXFEDHSKHEFQ-CQSZACIVSA-N 0 3 309.417 3.056 20 30 DGEDHN C=CCOc1c(Cl)cc(CNCCC[C@@H](C)O)cc1OC ZINC000623510076 401535614 /nfs/dbraw/zinc/53/56/14/401535614.db2.gz FVBHMJDDTOAWPK-GFCCVEGCSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](CC)[C@@H](C)O)cc1OC ZINC000623540364 401542658 /nfs/dbraw/zinc/54/26/58/401542658.db2.gz WGEPNBPECYXUDX-RISCZKNCSA-N 0 3 313.825 3.162 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1OC ZINC000623560183 401547038 /nfs/dbraw/zinc/54/70/38/401547038.db2.gz XZAYMXWSSNQGDA-YUELXQCFSA-N 0 3 323.820 3.323 20 30 DGEDHN COc1cccc(O[C@H](C)CNCc2ccc(C#N)c(C)c2)c1 ZINC000443998962 533675517 /nfs/dbraw/zinc/67/55/17/533675517.db2.gz BBMWZUKXHVSHIN-OAHLLOKOSA-N 0 3 310.397 3.432 20 30 DGEDHN C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000182133100 287033786 /nfs/dbraw/zinc/03/37/86/287033786.db2.gz POSAUGULIMSEMR-RHSMWYFYSA-N 0 3 300.402 3.285 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1F ZINC000192134587 165283390 /nfs/dbraw/zinc/28/33/90/165283390.db2.gz BAHHKSBTCMESFK-CVEARBPZSA-N 0 3 320.433 3.184 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000171723544 432165535 /nfs/dbraw/zinc/16/55/35/432165535.db2.gz USAHSKWKIDMMJY-CYBMUJFWSA-N 0 3 318.486 3.253 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2c(C)cccc2CC)CC1 ZINC000171737309 432167391 /nfs/dbraw/zinc/16/73/91/432167391.db2.gz MIFFHZDWMSBMLZ-UHFFFAOYSA-N 0 3 301.434 3.329 20 30 DGEDHN CCOc1ccc(O)c(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000269585601 432186497 /nfs/dbraw/zinc/18/64/97/432186497.db2.gz BDOMRJJRRJLVNA-UHFFFAOYSA-N 0 3 308.381 3.441 20 30 DGEDHN C[C@@H]1C[C@H](N(C)c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000150875136 432197957 /nfs/dbraw/zinc/19/79/57/432197957.db2.gz OJNGSSLNZOBXGI-VQIMIIECSA-N 0 3 320.440 3.443 20 30 DGEDHN Cn1cc(CNCCOc2ccccc2C(C)(C)C)cc1C#N ZINC000190987914 432208477 /nfs/dbraw/zinc/20/84/77/432208477.db2.gz IDQCTUHHIQWBDD-UHFFFAOYSA-N 0 3 311.429 3.363 20 30 DGEDHN C=CCN(CC=C)[C@H](CNCc1ccc(C#N)s1)C(C)C ZINC000150950889 432205153 /nfs/dbraw/zinc/20/51/53/432205153.db2.gz RCLVVCVOWKZZEA-QGZVFWFLSA-N 0 3 303.475 3.408 20 30 DGEDHN N#Cc1ccc(CNCC2([C@H](O)c3ccccc3)CC2)c(F)c1 ZINC000269760921 432206075 /nfs/dbraw/zinc/20/60/75/432206075.db2.gz BDLSRVQADCGTDC-GOSISDBHSA-N 0 3 310.372 3.301 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000182697235 432218573 /nfs/dbraw/zinc/21/85/73/432218573.db2.gz SDIWSYSHRZFPTK-ROUUACIJSA-N 0 3 314.335 3.456 20 30 DGEDHN Cc1ccccc1[C@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000126877679 227001591 /nfs/dbraw/zinc/00/15/91/227001591.db2.gz YWYAMTIQNYYMBN-SKINQDTJSA-N 0 3 306.409 3.242 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000185837344 228398308 /nfs/dbraw/zinc/39/83/08/228398308.db2.gz PBNRQDWBALJZAG-ZYHUDNBSSA-N 0 3 313.232 3.472 20 30 DGEDHN C[C@H](NC(=O)C1(C#N)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000186917551 228417901 /nfs/dbraw/zinc/41/79/01/228417901.db2.gz VHKRAABYVRNCDN-DOTOQJQBSA-N 0 3 313.445 3.268 20 30 DGEDHN N#CC1(CNC(=N)Nc2ccccc2OC(F)(F)F)CCC1 ZINC000263048289 228648102 /nfs/dbraw/zinc/64/81/02/228648102.db2.gz DEFRVYKOWUOZRK-UHFFFAOYSA-N 0 3 312.295 3.006 20 30 DGEDHN O=C(NC1CC1)[C@H](O)C1CCN([C@@H]2C=CCCCCC2)CC1 ZINC000328818645 228914482 /nfs/dbraw/zinc/91/44/82/228914482.db2.gz HCHDOZDKEATAJZ-IAGOWNOFSA-N 0 3 306.450 3.067 20 30 DGEDHN CN(C)Cc1cccc(C(=O)NC2CCC(C(N)=O)CC2)c1 ZINC000330916878 229009381 /nfs/dbraw/zinc/00/93/81/229009381.db2.gz VNOOUZVHMHYZSF-UHFFFAOYSA-N 0 3 303.406 3.147 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(-c3cnco3)cc2)nc(C)n1 ZINC000342847660 229119907 /nfs/dbraw/zinc/11/99/07/229119907.db2.gz AXLJGRUMXOOJTC-OAHLLOKOSA-N 0 3 318.336 3.239 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338295341 229061822 /nfs/dbraw/zinc/06/18/22/229061822.db2.gz IIVCXVLHYMLWEC-YGRLFVJLSA-N 0 3 314.282 3.262 20 30 DGEDHN N#CC(C(=O)c1ccc(Cl)c2ncccc12)c1ccncn1 ZINC000338648338 229067869 /nfs/dbraw/zinc/06/78/69/229067869.db2.gz RXJQJOYGRLNGIA-LBPRGKRZSA-N 0 3 308.728 3.168 20 30 DGEDHN C[C@H]1c2cccn2CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346160814 229164910 /nfs/dbraw/zinc/16/49/10/229164910.db2.gz ZJGIRDLEMNQTPZ-RDJZCZTQSA-N 0 3 307.397 3.164 20 30 DGEDHN C[C@@H]1c2cccn2CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346160812 229165236 /nfs/dbraw/zinc/16/52/36/229165236.db2.gz ZJGIRDLEMNQTPZ-NVXWUHKLSA-N 0 3 307.397 3.164 20 30 DGEDHN C[C@@H]1c2cccn2CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346160816 229165800 /nfs/dbraw/zinc/16/58/00/229165800.db2.gz ZJGIRDLEMNQTPZ-WBVHZDCISA-N 0 3 307.397 3.164 20 30 DGEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NC1(C#N)CCC1 ZINC000346977311 229178339 /nfs/dbraw/zinc/17/83/39/229178339.db2.gz WRCCYZCIBJWDTH-KRWDZBQOSA-N 0 3 313.445 3.234 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000347962504 229193745 /nfs/dbraw/zinc/19/37/45/229193745.db2.gz RTDIEKDUNDOHEG-MRXNPFEDSA-N 0 3 323.783 3.210 20 30 DGEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349802277 229216912 /nfs/dbraw/zinc/21/69/12/229216912.db2.gz NGKXQOAAECBJMC-ZWKOTPCHSA-N 0 3 308.429 3.330 20 30 DGEDHN CCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1OC(F)F ZINC000349848268 229217983 /nfs/dbraw/zinc/21/79/83/229217983.db2.gz ADHHVUHXXBGLIP-YPMHNXCESA-N 0 3 310.344 3.469 20 30 DGEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Br ZINC000349797098 229218125 /nfs/dbraw/zinc/21/81/25/229218125.db2.gz ANHYDPFHHCKYFU-CMPLNLGQSA-N 0 3 309.207 3.240 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)ccc1Br ZINC000354457046 229296080 /nfs/dbraw/zinc/29/60/80/229296080.db2.gz CEJPFWZXGQWNEG-NSHDSACASA-N 0 3 316.158 3.038 20 30 DGEDHN Cc1cccnc1OC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000352357964 229251042 /nfs/dbraw/zinc/25/10/42/229251042.db2.gz RAPUUKJSZQFQEN-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)cc(C)c1OC(F)F ZINC000354472759 229294919 /nfs/dbraw/zinc/29/49/19/229294919.db2.gz PPGCVLJBHCDITC-LBPRGKRZSA-N 0 3 317.295 3.185 20 30 DGEDHN COCCC[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000358922307 229368353 /nfs/dbraw/zinc/36/83/53/229368353.db2.gz UVNZXTZERKGNRQ-TZMCWYRMSA-N 0 3 308.809 3.126 20 30 DGEDHN CN(C)[C@@H](CNc1nc2ccccn2c1C#N)c1ccc(F)cc1 ZINC000302061957 230072714 /nfs/dbraw/zinc/07/27/14/230072714.db2.gz BWKXMGKNMLMVMU-INIZCTEOSA-N 0 3 323.375 3.060 20 30 DGEDHN C[C@@H]1[C@H](Nc2ncc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000413290457 230180348 /nfs/dbraw/zinc/18/03/48/230180348.db2.gz AMGLDKWMYCMFSB-CXAGYDPISA-N 0 3 310.376 3.167 20 30 DGEDHN C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000413454150 230230470 /nfs/dbraw/zinc/23/04/70/230230470.db2.gz MSFRBFBGBLFMCN-IATRGZMQSA-N 0 3 319.836 3.282 20 30 DGEDHN COc1cccc([C@@H](CNCc2ccc(C#N)c(C)c2)OC)c1 ZINC000527737351 269794443 /nfs/dbraw/zinc/79/44/43/269794443.db2.gz NBDJGVBGYMOXEZ-LJQANCHMSA-N 0 3 310.397 3.353 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2cccnc2)cc1 ZINC000346975957 264131063 /nfs/dbraw/zinc/13/10/63/264131063.db2.gz GLVXENGPFNELBX-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN C[C@H](C(=O)NCc1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000360000872 270004165 /nfs/dbraw/zinc/00/41/65/270004165.db2.gz NBMMNUDFEAAFST-HNNXBMFYSA-N 0 3 321.424 3.040 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C2CC2)C1 ZINC000534278171 270005037 /nfs/dbraw/zinc/00/50/37/270005037.db2.gz BGPUDPVWRWTPDC-SMDDNHRTSA-N 0 3 317.820 3.271 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353269021 265368367 /nfs/dbraw/zinc/36/83/67/265368367.db2.gz SKCHCHDEXRAHPJ-IBGZPJMESA-N 0 3 305.381 3.294 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000355661984 266147837 /nfs/dbraw/zinc/14/78/37/266147837.db2.gz AHPTVJQNSHZDIG-FQEVSTJZSA-N 0 3 324.399 3.267 20 30 DGEDHN Cn1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1C#N ZINC000191204551 432234168 /nfs/dbraw/zinc/23/41/68/432234168.db2.gz VKNCBQMPWIXVLH-UHFFFAOYSA-N 0 3 319.412 3.153 20 30 DGEDHN C[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000352407499 267014907 /nfs/dbraw/zinc/01/49/07/267014907.db2.gz UTPPDXVHAJWZED-CRAIPNDOSA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(C#N)cc1 ZINC000353569315 267055508 /nfs/dbraw/zinc/05/55/08/267055508.db2.gz VOVBEUWTBKXMKJ-QGZVFWFLSA-N 0 3 305.425 3.265 20 30 DGEDHN CCN(Cc1ccc(C)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519918179 267069652 /nfs/dbraw/zinc/06/96/52/267069652.db2.gz FZTRYSVXXZCCNK-IBGZPJMESA-N 0 3 324.424 3.129 20 30 DGEDHN Cc1cc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c(C#N)cn1 ZINC000399480573 267339469 /nfs/dbraw/zinc/33/94/69/267339469.db2.gz FAMNJSPMYVIKMG-MRXNPFEDSA-N 0 3 320.440 3.220 20 30 DGEDHN Cc1cc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C#N)cn1 ZINC000399557301 267340956 /nfs/dbraw/zinc/34/09/56/267340956.db2.gz DDBUUZFAMRWSKL-QGZVFWFLSA-N 0 3 320.440 3.363 20 30 DGEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000374307731 268055113 /nfs/dbraw/zinc/05/51/13/268055113.db2.gz IGUQNAGKACYDFB-NRFANRHFSA-N 0 3 318.420 3.251 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H]2c2ccccc2)cc1 ZINC000348540569 268137528 /nfs/dbraw/zinc/13/75/28/268137528.db2.gz YDURULTYPBIUFV-SFHVURJKSA-N 0 3 305.381 3.334 20 30 DGEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000182911314 432241776 /nfs/dbraw/zinc/24/17/76/432241776.db2.gz SMWGSNJJVCKCER-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000356256768 273487418 /nfs/dbraw/zinc/48/74/18/273487418.db2.gz PTRMPUIXOULGHH-MAUKXSAKSA-N 0 3 311.429 3.095 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1OC ZINC000191486795 274049242 /nfs/dbraw/zinc/04/92/42/274049242.db2.gz UULCRERWTMGESC-IBGZPJMESA-N 0 3 324.424 3.256 20 30 DGEDHN C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000299719348 274263382 /nfs/dbraw/zinc/26/33/82/274263382.db2.gz RZSROSLUFPYONC-ACJLOTCBSA-N 0 3 305.381 3.162 20 30 DGEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC000339129537 274365656 /nfs/dbraw/zinc/36/56/56/274365656.db2.gz DBEJTSJXZZIIQY-SOLBZPMBSA-N 0 3 320.440 3.438 20 30 DGEDHN Cc1[nH]nc2ncc(CN[C@H]3CCCc4cc(C#N)ccc43)cc12 ZINC000418146563 274656989 /nfs/dbraw/zinc/65/69/89/274656989.db2.gz PZXGCDXCLUXOPD-SFHVURJKSA-N 0 3 317.396 3.305 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N3CC[C@@H](N4CCCCC4)C3)c2c1 ZINC000488115220 274785833 /nfs/dbraw/zinc/78/58/33/274785833.db2.gz VNDMPADOAPPCCX-QGZVFWFLSA-N 0 3 320.440 3.480 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1NC1CCN(C2CC2)CC1 ZINC000265236964 274922409 /nfs/dbraw/zinc/92/24/09/274922409.db2.gz NXVNIXSQSHTDOW-UHFFFAOYSA-N 0 3 310.323 3.011 20 30 DGEDHN CC1(C)CCC[C@@](O)(CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000328773054 276109880 /nfs/dbraw/zinc/10/98/80/276109880.db2.gz RROZMKPHXDKMNK-SFHVURJKSA-N 0 3 308.466 3.149 20 30 DGEDHN CCN1CCCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000267181240 276165100 /nfs/dbraw/zinc/16/51/00/276165100.db2.gz FNKUHNICJNNARP-UHFFFAOYSA-N 0 3 312.392 3.086 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000428831380 276350494 /nfs/dbraw/zinc/35/04/94/276350494.db2.gz DIHHVVOPRHWXLZ-DLBZAZTESA-N 0 3 315.461 3.466 20 30 DGEDHN CN(C)C(=O)OC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000495886081 276745374 /nfs/dbraw/zinc/74/53/74/276745374.db2.gz OUFHQYWJHKVVIF-UHFFFAOYSA-N 0 3 307.438 3.013 20 30 DGEDHN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1)c1cccs1 ZINC000289353269 277304440 /nfs/dbraw/zinc/30/44/40/277304440.db2.gz NFCWOKVIAWXRIB-INIZCTEOSA-N 0 3 300.427 3.469 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC23CCCCC3)CC1 ZINC000367002188 277857399 /nfs/dbraw/zinc/85/73/99/277857399.db2.gz WHJKERYKTGAUEN-UHFFFAOYSA-N 0 3 305.466 3.145 20 30 DGEDHN C=CCOCCCC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000337711925 277874858 /nfs/dbraw/zinc/87/48/58/277874858.db2.gz FIUZUSUIHWJSAH-UHFFFAOYSA-N 0 3 322.493 3.132 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CCCC#N)CC1 ZINC000359990926 278390738 /nfs/dbraw/zinc/39/07/38/278390738.db2.gz CSCFDGICVHEPER-MRXNPFEDSA-N 0 3 321.465 3.402 20 30 DGEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)c1c(F)cccc1F ZINC000278652298 288067445 /nfs/dbraw/zinc/06/74/45/288067445.db2.gz IDXRFHCCXPYTCM-BKBUGSPTSA-N 0 3 308.372 3.449 20 30 DGEDHN CC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000068450018 431128177 /nfs/dbraw/zinc/12/81/77/431128177.db2.gz OXQMQMCUNOZWJS-MRXNPFEDSA-N 0 3 301.434 3.280 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccccc1)CC(C)C ZINC000346784176 279223246 /nfs/dbraw/zinc/22/32/46/279223246.db2.gz XQIGSZXJYWOJBB-QGZVFWFLSA-N 0 3 315.461 3.153 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(Sc2ccccc2)CCCC1 ZINC000068951685 431153133 /nfs/dbraw/zinc/15/31/33/431153133.db2.gz PELOWKDFZLXWRS-OAHLLOKOSA-N 0 3 318.486 3.372 20 30 DGEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)N(C)CCC#N ZINC000070788658 431258502 /nfs/dbraw/zinc/25/85/02/431258502.db2.gz JKYFVKPYKCVXIE-HUUCEWRRSA-N 0 3 309.413 3.251 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccnc1Cl)C(C)C ZINC000112919829 431315207 /nfs/dbraw/zinc/31/52/07/431315207.db2.gz SFBXZNPUEOSGMF-HNNXBMFYSA-N 0 3 321.852 3.163 20 30 DGEDHN CCCN(CCCSCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000072515613 431340323 /nfs/dbraw/zinc/34/03/23/431340323.db2.gz BBHXUFDGCGCUGS-HNNXBMFYSA-N 0 3 319.474 3.372 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(OC)c(OC)c2)cc1 ZINC000113312139 431342684 /nfs/dbraw/zinc/34/26/84/431342684.db2.gz YSEDYKWWGCIISK-UHFFFAOYSA-N 0 3 311.381 3.006 20 30 DGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000073496620 431372482 /nfs/dbraw/zinc/37/24/82/431372482.db2.gz MOTLZYLOZZTJGQ-ZDUSSCGKSA-N 0 3 317.458 3.361 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccncc1Cl)C(C)C ZINC000073094039 431363034 /nfs/dbraw/zinc/36/30/34/431363034.db2.gz RWQQEJPLDFFIOO-MRXNPFEDSA-N 0 3 321.852 3.163 20 30 DGEDHN N#Cc1ccc(CN(CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000074312836 431413677 /nfs/dbraw/zinc/41/36/77/431413677.db2.gz CPTUFAQXCRBZIJ-HXUWFJFHSA-N 0 3 306.409 3.430 20 30 DGEDHN C=CCc1ccc(OC[C@H](O)CN2CCCC[C@H]2C)c(OC)c1 ZINC000007991644 431374151 /nfs/dbraw/zinc/37/41/51/431374151.db2.gz PENXACNWTATTNQ-NVXWUHKLSA-N 0 3 319.445 3.038 20 30 DGEDHN N#CCSCCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000074981368 431444781 /nfs/dbraw/zinc/44/47/81/431444781.db2.gz JVOOQNYPMNTKRY-CQSZACIVSA-N 0 3 310.488 3.376 20 30 DGEDHN N#CCCN(C(=O)CN(CC1CC1)CC1CC1)c1ccccc1 ZINC000115564986 431461619 /nfs/dbraw/zinc/46/16/19/431461619.db2.gz XAEHAPIZGSLSAH-UHFFFAOYSA-N 0 3 311.429 3.055 20 30 DGEDHN C=CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000116851303 431531617 /nfs/dbraw/zinc/53/16/17/431531617.db2.gz GJMUUZPZLWGOCG-HOCLYGCPSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000116851305 431533330 /nfs/dbraw/zinc/53/33/30/431533330.db2.gz GJMUUZPZLWGOCG-ZBFHGGJFSA-N 0 3 304.409 3.119 20 30 DGEDHN CC[C@@H](CC(F)(F)F)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000354546496 280138115 /nfs/dbraw/zinc/13/81/15/280138115.db2.gz OVXQWMZMFSFGSE-RYUDHWBXSA-N 0 3 319.371 3.038 20 30 DGEDHN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000118398438 431603088 /nfs/dbraw/zinc/60/30/88/431603088.db2.gz QLQCKQGAOXFDMW-KBXCAEBGSA-N 0 3 323.444 3.240 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000118811366 431621257 /nfs/dbraw/zinc/62/12/57/431621257.db2.gz AKFQXRXZGOJQRH-HNNXBMFYSA-N 0 3 317.433 3.057 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000078759258 431705866 /nfs/dbraw/zinc/70/58/66/431705866.db2.gz ZTYMQVRHVUUFHB-YJBOKZPZSA-N 0 3 307.482 3.189 20 30 DGEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000120249299 431724574 /nfs/dbraw/zinc/72/45/74/431724574.db2.gz PRVWLSZNRXSHOJ-RDJZCZTQSA-N 0 3 321.852 3.435 20 30 DGEDHN CN(CCc1ccccn1)Cc1cccc(OCCCC#N)c1 ZINC000120823058 431735392 /nfs/dbraw/zinc/73/53/92/431735392.db2.gz GNKVWWAHWRFNBP-UHFFFAOYSA-N 0 3 309.413 3.439 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000081381491 431788467 /nfs/dbraw/zinc/78/84/67/431788467.db2.gz UXSHEUHUDCMFIM-LBPRGKRZSA-N 0 3 322.811 3.002 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)o1)c1nc(-c2ccccc2)no1 ZINC000123387451 431863164 /nfs/dbraw/zinc/86/31/64/431863164.db2.gz FIGILLMNRDZRBD-LBPRGKRZSA-N 0 3 308.341 3.095 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCC2)C1 ZINC000123469385 431865310 /nfs/dbraw/zinc/86/53/10/431865310.db2.gz HJSYQONTOAOKLI-KOHRHEQBSA-N 0 3 317.477 3.182 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1cccc(C)c1C ZINC000122269899 431824489 /nfs/dbraw/zinc/82/44/89/431824489.db2.gz GIJFKILDGLVHJQ-GOSISDBHSA-N 0 3 313.445 3.203 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000122325538 431827763 /nfs/dbraw/zinc/82/77/63/431827763.db2.gz PHOGTLDNUVQLFX-ZDUSSCGKSA-N 0 3 303.324 3.344 20 30 DGEDHN Cc1cc(C[C@H](C)NCc2ccc(C#N)o2)n(-c2ccccc2)n1 ZINC000122535910 431836439 /nfs/dbraw/zinc/83/64/39/431836439.db2.gz XEGMGDGCCGFEAW-AWEZNQCLSA-N 0 3 320.396 3.366 20 30 DGEDHN CCN(Cc1ccc(N(C)CCC#N)cc1)C[C@@H]1CCCO1 ZINC000092407641 431909013 /nfs/dbraw/zinc/90/90/13/431909013.db2.gz JCELWNYRWHAAKD-SFHVURJKSA-N 0 3 301.434 3.037 20 30 DGEDHN C=CC1CCN(Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000125000793 431910847 /nfs/dbraw/zinc/91/08/47/431910847.db2.gz GYOZEDRDZLRWIH-UHFFFAOYSA-N 0 3 305.418 3.118 20 30 DGEDHN C=CCN(Cc1ccc(C(=O)N(C)C)[nH]1)CC1CCCCC1 ZINC000093382941 431914118 /nfs/dbraw/zinc/91/41/18/431914118.db2.gz JQDHHNOKADLYJD-UHFFFAOYSA-N 0 3 303.450 3.285 20 30 DGEDHN C=CCN1CCC(N[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405875 431914725 /nfs/dbraw/zinc/91/47/25/431914725.db2.gz VNVRFMGERNBHRQ-ZDUSSCGKSA-N 0 3 305.491 3.323 20 30 DGEDHN C=CCc1cc(CN2CC[C@H]3OCCC[C@@H]3C2)cc(OC)c1O ZINC000093505851 431915165 /nfs/dbraw/zinc/91/51/65/431915165.db2.gz UXJYKBCVQOAQTN-IAGOWNOFSA-N 0 3 317.429 3.130 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000093505846 431915881 /nfs/dbraw/zinc/91/58/81/431915881.db2.gz MIRKXQQAESFIJS-MJGOQNOKSA-N 0 3 314.429 3.370 20 30 DGEDHN C[C@H]1SCCN(Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC000093501210 431916426 /nfs/dbraw/zinc/91/64/26/431916426.db2.gz PVPMHNSOXPQHMP-LSDHHAIUSA-N 0 3 303.475 3.362 20 30 DGEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000124083596 431882855 /nfs/dbraw/zinc/88/28/55/431882855.db2.gz UATNQGQCLYUVGH-SFHVURJKSA-N 0 3 323.396 3.246 20 30 DGEDHN C#CCCCCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000090398426 431891119 /nfs/dbraw/zinc/89/11/19/431891119.db2.gz DMJUDQVEBWBJEN-CYBMUJFWSA-N 0 3 300.381 3.169 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127661096 431977483 /nfs/dbraw/zinc/97/74/83/431977483.db2.gz VQDAQCQAWAHPBT-KGLIPLIRSA-N 0 3 319.474 3.071 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cn1 ZINC000048852124 431932721 /nfs/dbraw/zinc/93/27/21/431932721.db2.gz BWAMYYADDSONHW-AWEZNQCLSA-N 0 3 303.321 3.128 20 30 DGEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000049458274 431940291 /nfs/dbraw/zinc/94/02/91/431940291.db2.gz BFZVODQVZNVLJT-HNNXBMFYSA-N 0 3 322.755 3.411 20 30 DGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C(C1CC1)C1CC1 ZINC000050989492 431950552 /nfs/dbraw/zinc/95/05/52/431950552.db2.gz PEOPJSVICLYVAW-UHFFFAOYSA-N 0 3 311.429 3.054 20 30 DGEDHN C=CCN(CC=C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000051766976 431953426 /nfs/dbraw/zinc/95/34/26/431953426.db2.gz WMCKFCRPIKGUCC-UHFFFAOYSA-N 0 3 308.809 3.351 20 30 DGEDHN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057554509 431991870 /nfs/dbraw/zinc/99/18/70/431991870.db2.gz WWMNRRAWESDHLQ-JKSUJKDBSA-N 0 3 313.445 3.377 20 30 DGEDHN N#CC(CCN1CCC[C@@H]1CO)(c1ccccc1)c1ccccc1 ZINC000191481105 432269331 /nfs/dbraw/zinc/26/93/31/432269331.db2.gz XKXUGVLGQAXFEQ-HXUWFJFHSA-N 0 3 320.436 3.343 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1ccc(C#N)cc1F ZINC000191512527 432272779 /nfs/dbraw/zinc/27/27/79/432272779.db2.gz CXNCMJLPOYSMDK-UHFFFAOYSA-N 0 3 314.408 3.368 20 30 DGEDHN COc1cccc(CN(CCCCC#N)C[C@@H]2CCCO2)c1 ZINC000102398118 431993833 /nfs/dbraw/zinc/99/38/33/431993833.db2.gz QIWPIFJAWLGHOZ-SFHVURJKSA-N 0 3 302.418 3.370 20 30 DGEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1F ZINC000248804310 432319763 /nfs/dbraw/zinc/31/97/63/432319763.db2.gz BAHHKSBTCMESFK-JKSUJKDBSA-N 0 3 320.433 3.184 20 30 DGEDHN Cc1ccc(-c2nc(CCNCc3ccc(C#N)o3)co2)cc1 ZINC000174333685 432337740 /nfs/dbraw/zinc/33/77/40/432337740.db2.gz MMKJAHHLJIJQKB-UHFFFAOYSA-N 0 3 307.353 3.447 20 30 DGEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249281983 432342624 /nfs/dbraw/zinc/34/26/24/432342624.db2.gz NVVQPWMQWQOFJA-WBVHZDCISA-N 0 3 313.445 3.103 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000249285466 432343179 /nfs/dbraw/zinc/34/31/79/432343179.db2.gz SCRZIWBPCDNLSU-CEXWTWQISA-N 0 3 312.457 3.432 20 30 DGEDHN N#Cc1ccc(CNCCNc2ccc3ccccc3n2)cc1 ZINC000152766111 432354861 /nfs/dbraw/zinc/35/48/61/432354861.db2.gz HVEICKLLYBAVOG-UHFFFAOYSA-N 0 3 302.381 3.308 20 30 DGEDHN CC[C@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000248759824 432315814 /nfs/dbraw/zinc/31/58/14/432315814.db2.gz XNZZKNZXHSAGQY-MOPGFXCFSA-N 0 3 310.445 3.026 20 30 DGEDHN COc1cccc2c1CC[C@@H](NCc1ccc(C#N)cc1F)C2 ZINC000192442055 432375136 /nfs/dbraw/zinc/37/51/36/432375136.db2.gz OPMRBAJFSSMAFC-MRXNPFEDSA-N 0 3 310.372 3.353 20 30 DGEDHN N#CCSCCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192461506 432378269 /nfs/dbraw/zinc/37/82/69/432378269.db2.gz YKXQYUKSSCYODE-UHFFFAOYSA-N 0 3 320.433 3.367 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192469700 432378574 /nfs/dbraw/zinc/37/85/74/432378574.db2.gz IMDDRXZLZJATLQ-QGZVFWFLSA-N 0 3 305.393 3.048 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cn2)n1 ZINC000192690784 432401734 /nfs/dbraw/zinc/40/17/34/432401734.db2.gz QTDRTEHLCVRMKF-RDJZCZTQSA-N 0 3 309.417 3.056 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cn2)n1 ZINC000192690796 432402509 /nfs/dbraw/zinc/40/25/09/432402509.db2.gz QTDRTEHLCVRMKF-NVXWUHKLSA-N 0 3 309.417 3.056 20 30 DGEDHN C#CCCCC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192362777 432365307 /nfs/dbraw/zinc/36/53/07/432365307.db2.gz BXEGLYHRQUTPIX-IBGZPJMESA-N 0 3 312.457 3.161 20 30 DGEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCC1 ZINC000193009998 432438511 /nfs/dbraw/zinc/43/85/11/432438511.db2.gz ZEPOTLISCKREPZ-UHFFFAOYSA-N 0 3 319.836 3.461 20 30 DGEDHN C=CCCOCCN[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000193052625 432442966 /nfs/dbraw/zinc/44/29/66/432442966.db2.gz FFKRKPFVNQLBPO-CQSZACIVSA-N 0 3 321.417 3.324 20 30 DGEDHN C=CCN(CC=C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000193120690 432451714 /nfs/dbraw/zinc/45/17/14/432451714.db2.gz YVEVMMYQXXQWON-UHFFFAOYSA-N 0 3 312.457 3.489 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000193155361 432453664 /nfs/dbraw/zinc/45/36/64/432453664.db2.gz ROPVJCQPSZJMCP-INIZCTEOSA-N 0 3 315.417 3.069 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC(C2CCOCC2)CC1 ZINC000153603994 432424992 /nfs/dbraw/zinc/42/49/92/432424992.db2.gz SBJYMJLSVXTPMW-UHFFFAOYSA-N 0 3 314.429 3.205 20 30 DGEDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000271858616 432426908 /nfs/dbraw/zinc/42/69/08/432426908.db2.gz JVSVZHZKDITOHV-HNAYVOBHSA-N 0 3 310.397 3.363 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000193658550 432487973 /nfs/dbraw/zinc/48/79/73/432487973.db2.gz JEDUHORQURQTSP-VDZJLULYSA-N 0 3 318.461 3.023 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000193658576 432488741 /nfs/dbraw/zinc/48/87/41/432488741.db2.gz JEDUHORQURQTSP-KVSKMBFKSA-N 0 3 318.461 3.023 20 30 DGEDHN N#Cc1ccc(CN(CCCOCC(F)(F)F)C2CC2)cc1 ZINC000194538167 432557909 /nfs/dbraw/zinc/55/79/09/432557909.db2.gz PCCUEZFHHAJLIA-UHFFFAOYSA-N 0 3 312.335 3.492 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000176694895 432543871 /nfs/dbraw/zinc/54/38/71/432543871.db2.gz ANFYOVKHNBPBTL-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000185940031 432547234 /nfs/dbraw/zinc/54/72/34/432547234.db2.gz CGUNGXWCEQHJSA-KSSFIOAISA-N 0 3 322.412 3.371 20 30 DGEDHN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000185940083 432547620 /nfs/dbraw/zinc/54/76/20/432547620.db2.gz CGUNGXWCEQHJSA-RDTXWAMCSA-N 0 3 322.412 3.371 20 30 DGEDHN C[C@H](c1ccccn1)N1CCCN(c2ccccc2C#N)CC1 ZINC000177277950 432606586 /nfs/dbraw/zinc/60/65/86/432606586.db2.gz UNKJYOFJBZBEPD-MRXNPFEDSA-N 0 3 306.413 3.227 20 30 DGEDHN N#Cc1ccc(CNCc2cccc(Cn3ccnc3)c2)s1 ZINC000176946351 432568936 /nfs/dbraw/zinc/56/89/36/432568936.db2.gz DZTQGCGTAGDNBO-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000176951443 432569505 /nfs/dbraw/zinc/56/95/05/432569505.db2.gz CDFIPHOLJBSONP-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN COc1ccc([C@H](CCO)NCc2ccc(C#N)cc2C)cc1 ZINC000186318754 432581587 /nfs/dbraw/zinc/58/15/87/432581587.db2.gz SMPUKVNKUUMYIZ-IBGZPJMESA-N 0 3 310.397 3.089 20 30 DGEDHN C=CCOc1cccc(CN2CCSC3(CCOCC3)C2)c1 ZINC000186500374 432602416 /nfs/dbraw/zinc/60/24/16/432602416.db2.gz GNSOZOHQHHMAJZ-UHFFFAOYSA-N 0 3 319.470 3.349 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000177410933 432621913 /nfs/dbraw/zinc/62/19/13/432621913.db2.gz IVRDYHAMWMMXEM-UHFFFAOYSA-N 0 3 310.800 3.168 20 30 DGEDHN CC#CCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000274299578 432648310 /nfs/dbraw/zinc/64/83/10/432648310.db2.gz RWRHVYJCCQPBGY-MJGOQNOKSA-N 0 3 310.441 3.323 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000264396887 432643468 /nfs/dbraw/zinc/64/34/68/432643468.db2.gz OBYOZOFMQQIZIP-UHFFFAOYSA-N 0 3 301.434 3.465 20 30 DGEDHN CCCCN(CC#Cc1ccc(OC(F)(F)F)cc1)CCO ZINC000158463030 432644995 /nfs/dbraw/zinc/64/49/95/432644995.db2.gz OCYQAKOMWPDPKL-UHFFFAOYSA-N 0 3 315.335 3.031 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000264446612 432646814 /nfs/dbraw/zinc/64/68/14/432646814.db2.gz XWLQVMFACYNXIV-HNNXBMFYSA-N 0 3 301.434 3.006 20 30 DGEDHN CN(C)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1cccs1 ZINC000274282223 432647554 /nfs/dbraw/zinc/64/75/54/432647554.db2.gz BTRDUAPUOXTMQC-CQSZACIVSA-N 0 3 316.386 3.243 20 30 DGEDHN C[C@H](NCCCCC#N)c1ncc(Br)cc1F ZINC000187156309 432649864 /nfs/dbraw/zinc/64/98/64/432649864.db2.gz BCJCXNTVVMGKKT-VIFPVBQESA-N 0 3 300.175 3.328 20 30 DGEDHN CCN(CC)C(=O)C1(NCc2cc(C#N)cs2)CCCCC1 ZINC000177695658 432651651 /nfs/dbraw/zinc/65/16/51/432651651.db2.gz YGYOIWSWRQVNNJ-UHFFFAOYSA-N 0 3 319.474 3.281 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1cc(C#N)cs1 ZINC000177698339 432652472 /nfs/dbraw/zinc/65/24/72/432652472.db2.gz YKXIEQJAZXRDLW-CYBMUJFWSA-N 0 3 321.446 3.109 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274344010 432654638 /nfs/dbraw/zinc/65/46/38/432654638.db2.gz NEZRKZCFDISIMZ-IEBWSBKVSA-N 0 3 312.457 3.207 20 30 DGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000265105401 432667082 /nfs/dbraw/zinc/66/70/82/432667082.db2.gz AAQSWVCKGYCKRT-KBXCAEBGSA-N 0 3 305.381 3.014 20 30 DGEDHN C[C@@H](NC(=O)c1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000274679595 432697552 /nfs/dbraw/zinc/69/75/52/432697552.db2.gz ZTIPFQCKYQKYOI-DNVCBOLYSA-N 0 3 321.424 3.174 20 30 DGEDHN C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000274679596 432698105 /nfs/dbraw/zinc/69/81/05/432698105.db2.gz ZTIPFQCKYQKYOI-HNAYVOBHSA-N 0 3 321.424 3.174 20 30 DGEDHN CC(C)(C#N)CCCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275063739 432723489 /nfs/dbraw/zinc/72/34/89/432723489.db2.gz RAFZZGFEEGQARR-UHFFFAOYSA-N 0 3 322.840 3.303 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@H]1C ZINC000177900053 432671805 /nfs/dbraw/zinc/67/18/05/432671805.db2.gz UJCHXSBDXHCFOZ-UTUOFQBUSA-N 0 3 305.809 3.269 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000265229397 432677596 /nfs/dbraw/zinc/67/75/96/432677596.db2.gz UWLZSMYUEFOJDP-DNVCBOLYSA-N 0 3 319.408 3.323 20 30 DGEDHN C=CCCCCCN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000187694476 432677603 /nfs/dbraw/zinc/67/76/03/432677603.db2.gz NJDLODNGAQVIHH-AWEZNQCLSA-N 0 3 310.463 3.073 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@H](C)CCC)CC1 ZINC000178727528 432771879 /nfs/dbraw/zinc/77/18/79/432771879.db2.gz LECMXWQXEIAECW-WBVHZDCISA-N 0 3 307.482 3.247 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)cc1 ZINC000267196612 432821048 /nfs/dbraw/zinc/82/10/48/432821048.db2.gz NRRQBGLLJHDTGI-KUHUBIRLSA-N 0 3 313.372 3.049 20 30 DGEDHN N#Cc1cccnc1Nc1cccc(CN2CCSCC2)c1 ZINC000267191677 432821164 /nfs/dbraw/zinc/82/11/64/432821164.db2.gz DKOZZKKJMZIPTJ-UHFFFAOYSA-N 0 3 310.426 3.246 20 30 DGEDHN CC(C)Oc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000162349512 432821557 /nfs/dbraw/zinc/82/15/57/432821557.db2.gz RNVZKUVKQHBIRV-LBPRGKRZSA-N 0 3 320.352 3.235 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCC[C@H]2O)cc1OC ZINC000245991918 432874090 /nfs/dbraw/zinc/87/40/90/432874090.db2.gz QUSGTIPMHMUNLF-IAGOWNOFSA-N 0 3 319.445 3.243 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000278152310 432887159 /nfs/dbraw/zinc/88/71/59/432887159.db2.gz AFNXTZPDFMIJLD-HNAYVOBHSA-N 0 3 321.424 3.304 20 30 DGEDHN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000330022246 432888633 /nfs/dbraw/zinc/88/86/33/432888633.db2.gz ZFQBFBIQCSQYAH-CQSZACIVSA-N 0 3 317.433 3.257 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296249421 432889019 /nfs/dbraw/zinc/88/90/19/432889019.db2.gz XUNOESOWJYZWME-OAGGEKHMSA-N 0 3 302.805 3.259 20 30 DGEDHN CC1(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCCCC1 ZINC000330183400 432896105 /nfs/dbraw/zinc/89/61/05/432896105.db2.gz HWNOIJVTNZPQDD-CQSZACIVSA-N 0 3 304.438 3.062 20 30 DGEDHN CC(C)Oc1ccc([C@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000288147572 432889108 /nfs/dbraw/zinc/88/91/08/432889108.db2.gz BTCNQGOTMSCWME-SFHVURJKSA-N 0 3 324.428 3.455 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000288494674 432893955 /nfs/dbraw/zinc/89/39/55/432893955.db2.gz HLXHLLCVSKQRBR-JXFKEZNVSA-N 0 3 309.409 3.300 20 30 DGEDHN C=CCC(CC=C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000268149629 432850006 /nfs/dbraw/zinc/85/00/06/432850006.db2.gz DWYDZNQVJQFKJH-UHFFFAOYSA-N 0 3 316.445 3.012 20 30 DGEDHN C=CCN1CCC(Nc2nccc(Oc3ccccc3)n2)CC1 ZINC000278958782 432922438 /nfs/dbraw/zinc/92/24/38/432922438.db2.gz XYHIGHYQUABZDB-UHFFFAOYSA-N 0 3 310.401 3.331 20 30 DGEDHN COCCN(CCCc1cnccc1C)Cc1ccc(C#N)cc1 ZINC000289212433 432935148 /nfs/dbraw/zinc/93/51/48/432935148.db2.gz WRKGDTOZKNVDCU-UHFFFAOYSA-N 0 3 323.440 3.343 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)N[C@](C)(C#N)C(C)C)CCCC1(C)C ZINC000331291325 432938032 /nfs/dbraw/zinc/93/80/32/432938032.db2.gz KOQOBJHBJHSMMQ-MAUKXSAKSA-N 0 3 305.466 3.108 20 30 DGEDHN CC(C)(CNC([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330196154 432896922 /nfs/dbraw/zinc/89/69/22/432896922.db2.gz PTYZVMZUZJXXDO-OAHLLOKOSA-N 0 3 318.465 3.308 20 30 DGEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H](O)c1c(F)cccc1F ZINC000278652305 432897585 /nfs/dbraw/zinc/89/75/85/432897585.db2.gz IDXRFHCCXPYTCM-IUPKNAOTSA-N 0 3 308.372 3.449 20 30 DGEDHN Cc1cc(CCNC(=O)[C@H]2CCCN2C2CC2)cc(C)c1O ZINC000330241441 432899784 /nfs/dbraw/zinc/89/97/84/432899784.db2.gz WEOXNKHNVBKQIW-MRXNPFEDSA-N 0 3 302.418 3.135 20 30 DGEDHN CN(C)[C@H](CNc1nc(Cl)c(C#N)s1)c1cccs1 ZINC000278788596 432900100 /nfs/dbraw/zinc/90/01/00/432900100.db2.gz WUJPPUZKRNULIW-MRVPVSSYSA-N 0 3 312.851 3.444 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CCN1C ZINC000330271830 432901373 /nfs/dbraw/zinc/90/13/73/432901373.db2.gz WPDZSQNWGWJCJW-DGCLKSJQSA-N 0 3 315.417 3.353 20 30 DGEDHN O=C(CN1CC[C@H](O)C12CCCC2)NCCC1CCCCC1 ZINC000330319477 432903807 /nfs/dbraw/zinc/90/38/07/432903807.db2.gz DFZWMQRZAKYQAD-INIZCTEOSA-N 0 3 308.466 3.293 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000278908128 432915556 /nfs/dbraw/zinc/91/55/56/432915556.db2.gz ZXFKKCUNWOBXSR-ILXVDBEPSA-N 0 3 302.418 3.443 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC000330551455 432917188 /nfs/dbraw/zinc/91/71/88/432917188.db2.gz BSDCACSOVYOQPQ-KGLIPLIRSA-N 0 3 306.454 3.063 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C(C)(C)C)nn1C ZINC000330560959 432918017 /nfs/dbraw/zinc/91/80/17/432918017.db2.gz IDIKFLVMIOAEGC-KGLIPLIRSA-N 0 3 320.481 3.143 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCCCC1 ZINC000330637831 432921922 /nfs/dbraw/zinc/92/19/22/432921922.db2.gz GGPFELCZQLJROX-HNNXBMFYSA-N 0 3 305.466 3.230 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000289630176 432969358 /nfs/dbraw/zinc/96/93/58/432969358.db2.gz FEGKGHQKRUFGSG-BXUZGUMPSA-N 0 3 318.442 3.325 20 30 DGEDHN C=C[C@H](CO)N[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000289634420 432972014 /nfs/dbraw/zinc/97/20/14/432972014.db2.gz FKDYHQJZOVNTQE-BXUZGUMPSA-N 0 3 318.417 3.463 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000279477889 432974005 /nfs/dbraw/zinc/97/40/05/432974005.db2.gz QJKZPQLJXDUSCZ-AWEZNQCLSA-N 0 3 301.434 3.172 20 30 DGEDHN C=C[C@@H](CO)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000289835112 432977605 /nfs/dbraw/zinc/97/76/05/432977605.db2.gz POUPUMLPESNDBK-UONOGXRCSA-N 0 3 318.417 3.463 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000289995592 432982024 /nfs/dbraw/zinc/98/20/24/432982024.db2.gz YTGMGEHBJPCNSE-CMPLNLGQSA-N 0 3 306.406 3.455 20 30 DGEDHN CC1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279751892 432991130 /nfs/dbraw/zinc/99/11/30/432991130.db2.gz QIFYDLZTUCIVLP-ZCDVPAHGSA-N 0 3 309.413 3.278 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCNC(=O)OC(C)(C)C ZINC000297304110 432991394 /nfs/dbraw/zinc/99/13/94/432991394.db2.gz BJRCHTIAPYWDQR-ZDUSSCGKSA-N 0 3 303.406 3.076 20 30 DGEDHN COc1ccc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000341218104 432995013 /nfs/dbraw/zinc/99/50/13/432995013.db2.gz JVTNEQSIKCNQCK-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C=C1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000297427284 432995544 /nfs/dbraw/zinc/99/55/44/432995544.db2.gz HQNPLYCRIVNMJC-UHFFFAOYSA-N 0 3 300.446 3.454 20 30 DGEDHN C=C(C)CN(CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279353221 432957815 /nfs/dbraw/zinc/95/78/15/432957815.db2.gz GJHRMHBJPCXQCW-UHFFFAOYSA-N 0 3 309.417 3.257 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289445180 432961616 /nfs/dbraw/zinc/96/16/16/432961616.db2.gz KOFOWKUYPJLUDC-SFHVURJKSA-N 0 3 321.399 3.334 20 30 DGEDHN C#Cc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1 ZINC000290202183 433012407 /nfs/dbraw/zinc/01/24/07/433012407.db2.gz DCQFDMQOSFOPGN-UHFFFAOYSA-N 0 3 305.425 3.343 20 30 DGEDHN CC(C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280217160 433016830 /nfs/dbraw/zinc/01/68/30/433016830.db2.gz ALHYPGWTXGAZCR-ZWKOTPCHSA-N 0 3 309.413 3.135 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000344527208 289236280 /nfs/dbraw/zinc/23/62/80/289236280.db2.gz KLNZZSNHECGLNE-RNCFNFMXSA-N 0 3 321.218 3.348 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H]3C3CCC3)o2)c1 ZINC000333499067 433061143 /nfs/dbraw/zinc/06/11/43/433061143.db2.gz NTKIEOITWHUHHY-INIZCTEOSA-N 0 3 308.385 3.373 20 30 DGEDHN CCCn1ccnc1CCCN(C)Cc1ccc(C#N)s1 ZINC000290486687 433065887 /nfs/dbraw/zinc/06/58/87/433065887.db2.gz OHJPYDZZAWFJME-UHFFFAOYSA-N 0 3 302.447 3.291 20 30 DGEDHN C=CCCC1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425000326 433067046 /nfs/dbraw/zinc/06/70/46/433067046.db2.gz BGAZUPSKEWQKKY-RBUKOAKNSA-N 0 3 324.468 3.466 20 30 DGEDHN CN(C)[C@H](CC(=O)NCC1CCC(C#N)CC1)c1ccccc1 ZINC000416220888 289350600 /nfs/dbraw/zinc/35/06/00/289350600.db2.gz BDCJBXBLPXFEKB-LEOMRAHMSA-N 0 3 313.445 3.126 20 30 DGEDHN N#Cc1cccc(CCNCc2ccnn2-c2ccc(F)cc2)c1 ZINC000341457344 433072040 /nfs/dbraw/zinc/07/20/40/433072040.db2.gz KRXVNEFSTCZIIB-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000280532416 433073297 /nfs/dbraw/zinc/07/32/97/433073297.db2.gz SMYKBUBXDIHMCW-IHETXDGRSA-N 0 3 309.413 3.181 20 30 DGEDHN N#Cc1cccc(CCNCc2ccc(Br)o2)c1 ZINC000341492568 433090049 /nfs/dbraw/zinc/09/00/49/433090049.db2.gz WCVBQPKULDNMSU-UHFFFAOYSA-N 0 3 305.175 3.246 20 30 DGEDHN N#Cc1cccc(CCNCc2nc(-c3ccccc3)c[nH]2)c1 ZINC000341487642 433090733 /nfs/dbraw/zinc/09/07/33/433090733.db2.gz PENBBCMOVXKWKR-UHFFFAOYSA-N 0 3 302.381 3.281 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000280575494 433093098 /nfs/dbraw/zinc/09/30/98/433093098.db2.gz MBQBANIJKOKOKN-GOSISDBHSA-N 0 3 323.396 3.027 20 30 DGEDHN CCC[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000341551767 433125161 /nfs/dbraw/zinc/12/51/61/433125161.db2.gz GDJUSBVYHUUUOG-AEFFLSMTSA-N 0 3 311.429 3.176 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Br)cc1F ZINC000446924452 433127427 /nfs/dbraw/zinc/12/74/27/433127427.db2.gz GPEBKFIPUNVAMU-WDEREUQCSA-N 0 3 316.214 3.423 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453379521 433135839 /nfs/dbraw/zinc/13/58/39/433135839.db2.gz YRTTYUGPNZVARV-BLLLJJGKSA-N 0 3 304.390 3.234 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000280685635 433136950 /nfs/dbraw/zinc/13/69/50/433136950.db2.gz RCPYUTPBUVMYKM-DYVFJYSZSA-N 0 3 320.389 3.064 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453339721 433104260 /nfs/dbraw/zinc/10/42/60/433104260.db2.gz BSSHRSOYRMANLE-KFWWJZLASA-N 0 3 315.335 3.326 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000280618741 433110726 /nfs/dbraw/zinc/11/07/26/433110726.db2.gz KTSXQFQIJQILQN-QAPCUYQASA-N 0 3 305.418 3.252 20 30 DGEDHN C[C@H](NCCCSCC#N)c1ccc(Br)cn1 ZINC000280622365 433111509 /nfs/dbraw/zinc/11/15/09/433111509.db2.gz WRQSGCKLKWSPCR-JTQLQIEISA-N 0 3 314.252 3.142 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C)[C@@H]1C ZINC000361332283 433112883 /nfs/dbraw/zinc/11/28/83/433112883.db2.gz RXHRMUHUBWBTRB-BFKWJSRZSA-N 0 3 305.466 3.036 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc([C@H]2CCCO2)s1 ZINC000280745630 433158623 /nfs/dbraw/zinc/15/86/23/433158623.db2.gz XLDKFRCNOIGRME-YUELXQCFSA-N 0 3 308.447 3.065 20 30 DGEDHN C[C@H]1CN(c2ccccc2CNCc2cccc(C#N)c2)CCO1 ZINC000298567844 433183157 /nfs/dbraw/zinc/18/31/57/433183157.db2.gz WSRKHBHAIODTLO-INIZCTEOSA-N 0 3 321.424 3.073 20 30 DGEDHN N#Cc1ccccc1CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425345355 433186630 /nfs/dbraw/zinc/18/66/30/433186630.db2.gz DSSDETPZIYZBRZ-LEWJYISDSA-N 0 3 317.436 3.265 20 30 DGEDHN C=C(C)Cn1c(N2CCCN(C(C)C)CC2)nnc1C(C)(C)C ZINC000453450821 433193749 /nfs/dbraw/zinc/19/37/49/433193749.db2.gz IEFSREUYHKZXRY-UHFFFAOYSA-N 0 3 319.497 3.072 20 30 DGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(C(C)C)CC1 ZINC000453456788 433194915 /nfs/dbraw/zinc/19/49/15/433194915.db2.gz WIMKGBQOCOSJFS-INIZCTEOSA-N 0 3 319.497 3.288 20 30 DGEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000298644894 433203380 /nfs/dbraw/zinc/20/33/80/433203380.db2.gz WZRCQQIZIDFSHL-UHFFFAOYSA-N 0 3 308.809 3.021 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(SCC)cc2)C1=O ZINC000337196598 433215321 /nfs/dbraw/zinc/21/53/21/433215321.db2.gz XNRUATGKYJFAPR-BBRMVZONSA-N 0 3 304.459 3.236 20 30 DGEDHN CC[C@@H](NCc1ccccc1OCCO)c1ccc(C#N)cc1 ZINC000447542330 433220933 /nfs/dbraw/zinc/22/09/33/433220933.db2.gz IWSZIVWRGNLCKC-GOSISDBHSA-N 0 3 310.397 3.170 20 30 DGEDHN C=CCN[C@H](C)c1ccc(Br)cc1OCCCO ZINC000361517737 433222456 /nfs/dbraw/zinc/22/24/56/433222456.db2.gz BVSWWSXKCBFIGP-LLVKDONJSA-N 0 3 314.223 3.047 20 30 DGEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000341714537 433231843 /nfs/dbraw/zinc/23/18/43/433231843.db2.gz UHWASSAGXKSWGR-QGZVFWFLSA-N 0 3 308.381 3.440 20 30 DGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cnc(N(C)C)nc1 ZINC000350660372 433248273 /nfs/dbraw/zinc/24/82/73/433248273.db2.gz NETKXDDBUCUBBF-UHFFFAOYSA-N 0 3 323.444 3.072 20 30 DGEDHN CC[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)N(C)C ZINC000298827020 433257251 /nfs/dbraw/zinc/25/72/51/433257251.db2.gz HCYIYANMUAFKPK-VXGBXAGGSA-N 0 3 314.216 3.014 20 30 DGEDHN COCC1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000413953915 433324352 /nfs/dbraw/zinc/32/43/52/433324352.db2.gz KKDMEMJONDBEHU-LXPRWKDFSA-N 0 3 314.429 3.080 20 30 DGEDHN C=C(C)CCN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC000425509066 433274403 /nfs/dbraw/zinc/27/44/03/433274403.db2.gz JVXGWPFHEDAHQJ-LSDHHAIUSA-N 0 3 309.356 3.119 20 30 DGEDHN CCN(C[C@@H](O)COc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000299009411 433297857 /nfs/dbraw/zinc/29/78/57/433297857.db2.gz COWYPHXCFUSQPZ-VQIMIIECSA-N 0 3 324.424 3.381 20 30 DGEDHN CN(C1CCCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447850250 433302543 /nfs/dbraw/zinc/30/25/43/433302543.db2.gz LSEZCADETYGWID-SFHVURJKSA-N 0 3 311.429 3.318 20 30 DGEDHN CC(C)[C@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447851605 433307555 /nfs/dbraw/zinc/30/75/55/433307555.db2.gz TWZQVYHNLREAGX-QZTJIDSGSA-N 0 3 311.429 3.174 20 30 DGEDHN Cc1cc(NC(=O)CCCC#N)ccc1OCCN1CCCC1 ZINC000291808763 433356994 /nfs/dbraw/zinc/35/69/94/433356994.db2.gz ZIHINBSOASULAL-UHFFFAOYSA-N 0 3 315.417 3.102 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291814721 433361714 /nfs/dbraw/zinc/36/17/14/433361714.db2.gz NPTOWIGYTGZOMZ-UZLBHIALSA-N 0 3 306.409 3.255 20 30 DGEDHN CCC(N)=NOCC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000299342756 433362778 /nfs/dbraw/zinc/36/27/78/433362778.db2.gz PAPLWEQVFHNJKI-UHFFFAOYSA-N 0 3 319.430 3.096 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC)cc1 ZINC000299389083 433365002 /nfs/dbraw/zinc/36/50/02/433365002.db2.gz IWOWIUDOUHPODQ-HUUCEWRRSA-N 0 3 304.434 3.159 20 30 DGEDHN C[C@@H]1C[C@@H](N(C)C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000291836290 433369484 /nfs/dbraw/zinc/36/94/84/433369484.db2.gz BISSBDFAYSBLTK-AEFFLSMTSA-N 0 3 313.445 3.192 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000413987246 433337974 /nfs/dbraw/zinc/33/79/74/433337974.db2.gz NJGCYSCHTRJWJP-GOSISDBHSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC3(CCOCC3)CC2)cc1 ZINC000375324000 433429445 /nfs/dbraw/zinc/42/94/45/433429445.db2.gz NAEWJRXRCLWZEG-MRXNPFEDSA-N 0 3 314.429 3.370 20 30 DGEDHN COc1ccc2c(c1)CCN(Cc1ccc(C#N)c(F)c1)CC2 ZINC000361867614 433430699 /nfs/dbraw/zinc/43/06/99/433430699.db2.gz IBVFRZQYOLGAJO-UHFFFAOYSA-N 0 3 310.372 3.307 20 30 DGEDHN Cc1ccc([C@@H](CCn2cncn2)NCC(C)(C)CC#N)cc1 ZINC000414161048 433432311 /nfs/dbraw/zinc/43/23/11/433432311.db2.gz FAFRZGPGMUNRHS-QGZVFWFLSA-N 0 3 311.433 3.247 20 30 DGEDHN CN(CCNC1(c2cccc(C#N)c2)CC1)Cc1ccc(F)cc1 ZINC000341972030 433386664 /nfs/dbraw/zinc/38/66/64/433386664.db2.gz PWQOUYIBJNAFOT-UHFFFAOYSA-N 0 3 323.415 3.408 20 30 DGEDHN CC(C)[C@@H](CNc1ccc(C#N)cn1)N1CCc2ccccc2C1 ZINC000301063524 433395761 /nfs/dbraw/zinc/39/57/61/433395761.db2.gz CCKJQVQPAHQKGT-LJQANCHMSA-N 0 3 320.440 3.448 20 30 DGEDHN C#CCOc1ccc(CN2CCC(c3c[nH]nc3C)CC2)cc1 ZINC000375272941 433405341 /nfs/dbraw/zinc/40/53/41/433405341.db2.gz VNUYYDCOZGIVIJ-UHFFFAOYSA-N 0 3 309.413 3.110 20 30 DGEDHN CC1CCC(N2CCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000361826318 433408887 /nfs/dbraw/zinc/40/88/87/433408887.db2.gz VWLHMJOIADODTF-UHFFFAOYSA-N 0 3 315.436 3.394 20 30 DGEDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000301098208 433413212 /nfs/dbraw/zinc/41/32/12/433413212.db2.gz NIYOJBUHBNQPOO-GOSISDBHSA-N 0 3 324.384 3.490 20 30 DGEDHN N#CC1(CCCN2CCc3c(F)cccc3C2)CCOCC1 ZINC000281891034 433417901 /nfs/dbraw/zinc/41/79/01/433417901.db2.gz DUGLTHLTLYIHDM-UHFFFAOYSA-N 0 3 302.393 3.284 20 30 DGEDHN CC1(C)CN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000342047763 433435030 /nfs/dbraw/zinc/43/50/30/433435030.db2.gz XAOZODOLKCWUCS-UHFFFAOYSA-N 0 3 306.413 3.054 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C2CCCC2)CC1 ZINC000454462789 433439910 /nfs/dbraw/zinc/43/99/10/433439910.db2.gz KRBGFNINJSBZAZ-QGZVFWFLSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000454471847 433441735 /nfs/dbraw/zinc/44/17/35/433441735.db2.gz ZUIJQYRPXBDZMW-INIZCTEOSA-N 0 3 321.509 3.495 20 30 DGEDHN CC1CCN([C@H](CNc2nccnc2C#N)c2ccccc2)CC1 ZINC000301184376 433443424 /nfs/dbraw/zinc/44/34/24/433443424.db2.gz ONOZOWAERKUNEH-GOSISDBHSA-N 0 3 321.428 3.233 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(C/C=C/c3ccccc3)C2)nc1 ZINC000292086439 433455852 /nfs/dbraw/zinc/45/58/52/433455852.db2.gz FAVLMDRZSDNKTF-WEBJUUICSA-N 0 3 305.381 3.120 20 30 DGEDHN C=C(C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000454509649 433459643 /nfs/dbraw/zinc/45/96/43/433459643.db2.gz DNXCTDJZPFFFSH-MRXNPFEDSA-N 0 3 315.461 3.477 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCCC[C@H]1O ZINC000351310354 433467497 /nfs/dbraw/zinc/46/74/97/433467497.db2.gz YRBFGUPJWNJVCZ-UKRRQHHQSA-N 0 3 324.371 3.143 20 30 DGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1snc(Cl)c1C#N ZINC000301235904 433463204 /nfs/dbraw/zinc/46/32/04/433463204.db2.gz LWORZDOUCBQZRX-OUAUKWLOSA-N 0 3 312.870 3.446 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000090003675 290219356 /nfs/dbraw/zinc/21/93/56/290219356.db2.gz XRPJSIXWZURCJM-NVXWUHKLSA-N 0 3 308.429 3.307 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000292292395 433541449 /nfs/dbraw/zinc/54/14/49/433541449.db2.gz UGVRFFVVUGCXOD-AQNXPRMDSA-N 0 3 311.425 3.378 20 30 DGEDHN C=C(C)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000455317282 433540066 /nfs/dbraw/zinc/54/00/66/433540066.db2.gz WVUNHZQZXJJMJG-QGZVFWFLSA-N 0 3 315.461 3.259 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(C2CCCC2)C1 ZINC000301290758 433489046 /nfs/dbraw/zinc/48/90/46/433489046.db2.gz NMJDOJJTZKZHKR-LBPRGKRZSA-N 0 3 324.350 3.401 20 30 DGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000339291161 433498991 /nfs/dbraw/zinc/49/89/91/433498991.db2.gz SVQXIGYQNYJKDQ-CQSZACIVSA-N 0 3 314.414 3.114 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)C[C@@H](CO)C2)ccc1OC ZINC000421366901 433508951 /nfs/dbraw/zinc/50/89/51/433508951.db2.gz WHTGWIHJFHRIHJ-NVXWUHKLSA-N 0 3 319.445 3.100 20 30 DGEDHN COc1cccc(OCCCNCc2ccc(C#N)c(F)c2)c1 ZINC000421367751 433509695 /nfs/dbraw/zinc/50/96/95/433509695.db2.gz UEKKEIKDNIZBIP-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000375740438 433549777 /nfs/dbraw/zinc/54/97/77/433549777.db2.gz FGAIDPOZLNWDHO-YZGWKJHDSA-N 0 3 323.440 3.338 20 30 DGEDHN CCc1c(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000362191842 433576537 /nfs/dbraw/zinc/57/65/37/433576537.db2.gz RILCSVBHOXZNBL-GFCCVEGCSA-N 0 3 321.302 3.491 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000375847582 433590311 /nfs/dbraw/zinc/59/03/11/433590311.db2.gz MEYYOTVHZWBKTN-IBGZPJMESA-N 0 3 309.413 3.078 20 30 DGEDHN CC(C)(C)OC1CCN(CCOc2ccccc2C#N)CC1 ZINC000162518792 292855221 /nfs/dbraw/zinc/85/52/21/292855221.db2.gz MRBYOMDGPUYJNO-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN CC#CCCCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283007530 433642897 /nfs/dbraw/zinc/64/28/97/433642897.db2.gz RRLPUFNVXTXVPV-MRXNPFEDSA-N 0 3 306.837 3.253 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456334145 433595706 /nfs/dbraw/zinc/59/57/06/433595706.db2.gz MALDQCBTFNWBGC-INIZCTEOSA-N 0 3 300.446 3.179 20 30 DGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000339464491 433599077 /nfs/dbraw/zinc/59/90/77/433599077.db2.gz YSPLHAIAHMGOGP-ZDUSSCGKSA-N 0 3 323.375 3.072 20 30 DGEDHN OC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000292975276 433603855 /nfs/dbraw/zinc/60/38/55/433603855.db2.gz AXKRAFQOPNFREH-HNNXBMFYSA-N 0 3 311.347 3.151 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)CC1CCN(C)CC1 ZINC000293064949 433613863 /nfs/dbraw/zinc/61/38/63/433613863.db2.gz XLLHTYHEMICXAI-UHFFFAOYSA-N 0 3 300.446 3.323 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)nc2C(C)C)CC1 ZINC000448922729 433615179 /nfs/dbraw/zinc/61/51/79/433615179.db2.gz RPUQBSMNVQNISD-UHFFFAOYSA-N 0 3 315.461 3.284 20 30 DGEDHN N#CCCOCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000293089046 433615390 /nfs/dbraw/zinc/61/53/90/433615390.db2.gz MYCNPSJBBHPNDL-KRWDZBQOSA-N 0 3 322.836 3.016 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000293199987 433655591 /nfs/dbraw/zinc/65/55/91/433655591.db2.gz BPPFWDTVSDYAOC-GOEBONIOSA-N 0 3 322.399 3.225 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C#N ZINC000427120749 433656355 /nfs/dbraw/zinc/65/63/55/433656355.db2.gz FABFDRHPQBCONT-CQSZACIVSA-N 0 3 317.408 3.082 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000362389093 433680194 /nfs/dbraw/zinc/68/01/94/433680194.db2.gz LVVZUVZKWZBLCO-XJKSGUPXSA-N 0 3 316.470 3.177 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000362402308 433698042 /nfs/dbraw/zinc/69/80/42/433698042.db2.gz LDYNHOLMAOEZPC-AWEZNQCLSA-N 0 3 316.470 3.345 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)CCCCC1 ZINC000376402708 433732760 /nfs/dbraw/zinc/73/27/60/433732760.db2.gz KAWAQWRUZJEELL-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000362527066 433735312 /nfs/dbraw/zinc/73/53/12/433735312.db2.gz XWLODTINAHLPIL-SFHVURJKSA-N 0 3 312.457 3.466 20 30 DGEDHN CC[C@](CNCc1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 ZINC000414588125 433738749 /nfs/dbraw/zinc/73/87/49/433738749.db2.gz NMEKMRQLCPFVGM-HXUWFJFHSA-N 0 3 322.408 3.169 20 30 DGEDHN CC(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000362550779 433755549 /nfs/dbraw/zinc/75/55/49/433755549.db2.gz NUQYCDBYCTYIKP-LURJTMIESA-N 0 3 323.126 3.371 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000449702071 433762961 /nfs/dbraw/zinc/76/29/61/433762961.db2.gz YCAAEBPDKKIOIL-ZDUSSCGKSA-N 0 3 304.415 3.243 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449700535 433764079 /nfs/dbraw/zinc/76/40/79/433764079.db2.gz UCOLJPYECWGREB-ZDUSSCGKSA-N 0 3 316.357 3.272 20 30 DGEDHN COC[C@@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000449761457 433773235 /nfs/dbraw/zinc/77/32/35/433773235.db2.gz XSDKHGNYRIUVSD-KRWDZBQOSA-N 0 3 302.418 3.370 20 30 DGEDHN CCC1(CC)CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000362600833 433781908 /nfs/dbraw/zinc/78/19/08/433781908.db2.gz HFDLHDIAWZNRNN-DOTOQJQBSA-N 0 3 307.482 3.332 20 30 DGEDHN CCC[C@@H]1CN(c2ccc(Cl)cc2C#N)CCN1CCOC ZINC000301926218 433798307 /nfs/dbraw/zinc/79/83/07/433798307.db2.gz MVARAJGRXBHZMP-MRXNPFEDSA-N 0 3 321.852 3.149 20 30 DGEDHN CC[C@@H]1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000302148001 433814769 /nfs/dbraw/zinc/81/47/69/433814769.db2.gz JBDASTGIOLKRPV-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN CC[C@@H]1CCCCN1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302214109 433815443 /nfs/dbraw/zinc/81/54/43/433815443.db2.gz NXPPONCSQKEZDG-CQSZACIVSA-N 0 3 302.378 3.143 20 30 DGEDHN C=CCOc1ccc(CN2CCNC[C@](C)(F)C2)cc1Cl ZINC000414772081 433826777 /nfs/dbraw/zinc/82/67/77/433826777.db2.gz SLIUJMBRXLPSAM-INIZCTEOSA-N 0 3 312.816 3.038 20 30 DGEDHN Cc1sc(NC(=O)CN(C)[C@H](C)C2CCC2)c(C#N)c1C ZINC000357029041 433829044 /nfs/dbraw/zinc/82/90/44/433829044.db2.gz VPIUYPFBISNUJM-LLVKDONJSA-N 0 3 305.447 3.296 20 30 DGEDHN N#Cc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000302795350 433866800 /nfs/dbraw/zinc/86/68/00/433866800.db2.gz OOIRDYZJCSYYSY-HXUWFJFHSA-N 0 3 321.424 3.261 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000284438751 433895267 /nfs/dbraw/zinc/89/52/67/433895267.db2.gz SOFWURZMJNUVLI-OFQRWUPVSA-N 0 3 320.458 3.213 20 30 DGEDHN COc1cc([C@@H](C)NCCOCCC#N)ccc1OCC(C)C ZINC000293855270 433895329 /nfs/dbraw/zinc/89/53/29/433895329.db2.gz RLPHVSMLBVLVTD-OAHLLOKOSA-N 0 3 320.433 3.311 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000340142603 433935334 /nfs/dbraw/zinc/93/53/34/433935334.db2.gz HEXIJMGWNFVAQM-UHFFFAOYSA-N 0 3 324.424 3.258 20 30 DGEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000284984691 433916430 /nfs/dbraw/zinc/91/64/30/433916430.db2.gz BYJRLTPBKVFPJL-CYBMUJFWSA-N 0 3 319.836 3.062 20 30 DGEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)C1(CO)CC1 ZINC000285388526 433934280 /nfs/dbraw/zinc/93/42/80/433934280.db2.gz DHMBHBOMUNKFOY-UHFFFAOYSA-N 0 3 320.436 3.343 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](O)C23CCCC3)cc(OC)c1O ZINC000293970610 433946088 /nfs/dbraw/zinc/94/60/88/433946088.db2.gz QOFPCGQHQFJJIP-KRWDZBQOSA-N 0 3 317.429 3.009 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC=C(c2ccco2)C1 ZINC000285483822 433967412 /nfs/dbraw/zinc/96/74/12/433967412.db2.gz CZNHVSFMVZDRBS-UHFFFAOYSA-N 0 3 321.380 3.269 20 30 DGEDHN Cn1ccnc1[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000377889985 434029192 /nfs/dbraw/zinc/02/91/92/434029192.db2.gz RMQUQVAROGTXKF-KRWDZBQOSA-N 0 3 324.428 3.092 20 30 DGEDHN COc1cccc([C@H](CNc2snc(C)c2C#N)N(C)C)c1 ZINC000285688490 434042346 /nfs/dbraw/zinc/04/23/46/434042346.db2.gz QMYXRNLWJSETOH-HNNXBMFYSA-N 0 3 316.430 3.047 20 30 DGEDHN CSc1ccc([C@@H](CNC(=O)CC(C)(C)C#N)N(C)C)cc1 ZINC000294572807 434119591 /nfs/dbraw/zinc/11/95/91/434119591.db2.gz WBBZPMUNXMFNOJ-OAHLLOKOSA-N 0 3 319.474 3.067 20 30 DGEDHN CC1(C)CCCN(CCNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000357682876 434129525 /nfs/dbraw/zinc/12/95/25/434129525.db2.gz SITFHJWWTMTIFA-UHFFFAOYSA-N 0 3 302.378 3.000 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)Cc1ccccc1 ZINC000346142286 434147207 /nfs/dbraw/zinc/14/72/07/434147207.db2.gz XHFBFPHPIKAFNA-KSMMKXTCSA-N 0 3 312.388 3.340 20 30 DGEDHN CC1(C)CN(Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000378346968 434152289 /nfs/dbraw/zinc/15/22/89/434152289.db2.gz TWRGOKVZNUEMGB-UHFFFAOYSA-N 0 3 302.418 3.370 20 30 DGEDHN N#Cc1cc(NC[C@@H]2CCCN(Cc3cccs3)C2)ccn1 ZINC000286062652 434152165 /nfs/dbraw/zinc/15/21/65/434152165.db2.gz COOYOYDUTCRGQX-AWEZNQCLSA-N 0 3 312.442 3.339 20 30 DGEDHN C=CC(C)(C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000295023217 434157923 /nfs/dbraw/zinc/15/79/23/434157923.db2.gz RUYDBJZSJBGOFD-UHFFFAOYSA-N 0 3 316.445 3.042 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000363928319 434185701 /nfs/dbraw/zinc/18/57/01/434185701.db2.gz OOXQQWWCMSFWMK-UHFFFAOYSA-N 0 3 313.445 3.039 20 30 DGEDHN C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346203677 434197216 /nfs/dbraw/zinc/19/72/16/434197216.db2.gz RRAHXLJDCDNJMT-ZDUSSCGKSA-N 0 3 321.359 3.129 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCCC[C@@H]1C ZINC000353535561 434205600 /nfs/dbraw/zinc/20/56/00/434205600.db2.gz XEWQDQUFHGJXKB-STQMWFEESA-N 0 3 318.396 3.082 20 30 DGEDHN CC[C@H](COCC(F)(F)F)NCc1ccc(C#N)c(OC)c1 ZINC000295177959 434243750 /nfs/dbraw/zinc/24/37/50/434243750.db2.gz VHJXQBBFJOFLIY-CYBMUJFWSA-N 0 3 316.323 3.014 20 30 DGEDHN CN1CCC(Oc2ccc(CNc3cnccc3C#N)cc2)CC1 ZINC000286380816 434251900 /nfs/dbraw/zinc/25/19/00/434251900.db2.gz ITIZNDHALRKYAT-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN C[C@H](CN(C)C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000346271734 434253327 /nfs/dbraw/zinc/25/33/27/434253327.db2.gz QVJMYPJQUJDDQS-CQSZACIVSA-N 0 3 323.396 3.030 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1cc(C#N)cs1 ZINC000381336527 434272544 /nfs/dbraw/zinc/27/25/44/434272544.db2.gz DBZZKIWGAFXZIR-WDEREUQCSA-N 0 3 309.435 3.011 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(Br)cs1 ZINC000320184202 434236128 /nfs/dbraw/zinc/23/61/28/434236128.db2.gz AAWISRISKVKNPX-GXSJLCMTSA-N 0 3 304.253 3.488 20 30 DGEDHN C=CCN1CCC(N[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286342011 434237884 /nfs/dbraw/zinc/23/78/84/434237884.db2.gz YIVPJDVRUSJRIJ-KRWDZBQOSA-N 0 3 302.466 3.271 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)ccc1Cl ZINC000437258439 434239217 /nfs/dbraw/zinc/23/92/17/434239217.db2.gz NTBHKPQDNJLQMN-CJNGLKHVSA-N 0 3 323.820 3.197 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000365381865 434294606 /nfs/dbraw/zinc/29/46/06/434294606.db2.gz AQLGPEQXZFGNKM-JKSUJKDBSA-N 0 3 309.331 3.214 20 30 DGEDHN Cc1cnn([C@@H]2CCN(Cc3cccc(OCCCC#N)c3)C2)c1 ZINC000365619159 434302707 /nfs/dbraw/zinc/30/27/07/434302707.db2.gz RCUYGWDXXGOJBJ-GOSISDBHSA-N 0 3 324.428 3.321 20 30 DGEDHN CC(C)(CO)[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000348406471 434307626 /nfs/dbraw/zinc/30/76/26/434307626.db2.gz SRMONODRHYBDCC-INIZCTEOSA-N 0 3 300.427 3.469 20 30 DGEDHN CN(C[C@H]1CC=CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348404055 434308482 /nfs/dbraw/zinc/30/84/82/434308482.db2.gz RVZLILWGFSBCGH-ZWKOTPCHSA-N 0 3 307.397 3.055 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CCN1C ZINC000328825806 434317609 /nfs/dbraw/zinc/31/76/09/434317609.db2.gz HRLYWCURSNJPRX-YPMHNXCESA-N 0 3 315.417 3.353 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c(F)c1 ZINC000328906627 434325764 /nfs/dbraw/zinc/32/57/64/434325764.db2.gz KXKYEYPHCMJOEJ-RHSMWYFYSA-N 0 3 319.380 3.209 20 30 DGEDHN COc1cc(CNC[C@@H](C)N(C)Cc2ccccc2)ccc1C#N ZINC000390633900 434367664 /nfs/dbraw/zinc/36/76/64/434367664.db2.gz CTEIKXQLHLLMPW-MRXNPFEDSA-N 0 3 323.440 3.177 20 30 DGEDHN C[C@H](CC(=O)NCC1=CCN(C)CC1)NC(=O)C1CCCC1 ZINC000329223063 434375002 /nfs/dbraw/zinc/37/50/02/434375002.db2.gz XKCBTASMWHIWIU-CYBMUJFWSA-N 0 3 307.438 3.130 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1 ZINC000295935833 434445308 /nfs/dbraw/zinc/44/53/08/434445308.db2.gz KPLUTNLMKQCOFX-SFHVURJKSA-N 0 3 307.397 3.364 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000295935831 434445680 /nfs/dbraw/zinc/44/56/80/434445680.db2.gz KPLUTNLMKQCOFX-GOSISDBHSA-N 0 3 307.397 3.364 20 30 DGEDHN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1CCCN1C1CCCC1 ZINC000329379658 434401084 /nfs/dbraw/zinc/40/10/84/434401084.db2.gz NBZFBPBLJREUDH-HUUCEWRRSA-N 0 3 302.422 3.151 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000287639795 434416421 /nfs/dbraw/zinc/41/64/21/434416421.db2.gz GEBVBVZGYDMFKS-DNVCBOLYSA-N 0 3 307.397 3.305 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1oc(C2CC2)nc1C ZINC000329512772 434425086 /nfs/dbraw/zinc/42/50/86/434425086.db2.gz LDYKGVDYORYPKN-CQSZACIVSA-N 0 3 305.422 3.430 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450852776 434440835 /nfs/dbraw/zinc/44/08/35/434440835.db2.gz DKSGXYKNTBIXRG-KBAYOESNSA-N 0 3 312.413 3.004 20 30 DGEDHN C[C@H](C(=O)NCc1c2c(nn1C)CCCC2)N1[C@H](C)CC[C@@H]1C ZINC000329734898 434466076 /nfs/dbraw/zinc/46/60/76/434466076.db2.gz KOHVPBWDBAIPPT-HZSPNIEDSA-N 0 3 318.465 3.017 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1nccn1CC)C(C)C ZINC000295989255 434467902 /nfs/dbraw/zinc/46/79/02/434467902.db2.gz NPSXFGSEKWUPEJ-SJORKVTESA-N 0 3 304.482 3.252 20 30 DGEDHN CCOC[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000458077972 434469258 /nfs/dbraw/zinc/46/92/58/434469258.db2.gz JPHLSBLJADJGTJ-MSOLQXFVSA-N 0 3 314.429 3.177 20 30 DGEDHN CC(C)(C)c1csc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)n1 ZINC000329804835 434481860 /nfs/dbraw/zinc/48/18/60/434481860.db2.gz AGMPXUMZLHREMH-VIFPVBQESA-N 0 3 319.434 3.047 20 30 DGEDHN CC(C)(C)c1csc(NC(=O)N[C@H]2CCc3[nH]cnc3C2)n1 ZINC000329804835 434481867 /nfs/dbraw/zinc/48/18/67/434481867.db2.gz AGMPXUMZLHREMH-VIFPVBQESA-N 0 3 319.434 3.047 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2cccc(F)c2C1 ZINC000458127416 434492951 /nfs/dbraw/zinc/49/29/51/434492951.db2.gz MSDLLQVATJLLJQ-HNNXBMFYSA-N 0 3 308.356 3.440 20 30 DGEDHN CCC1(CC)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000438508659 434497688 /nfs/dbraw/zinc/49/76/88/434497688.db2.gz WZGCYWXKOZKVCV-KRWDZBQOSA-N 0 3 311.429 3.176 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1c[nH]c2cccnc12 ZINC000329881471 434499394 /nfs/dbraw/zinc/49/93/94/434499394.db2.gz OOZUFJZDZUECTN-ZDUSSCGKSA-N 0 3 300.406 3.132 20 30 DGEDHN N#CCSCCCN1CCCN(c2ccccc2Cl)CC1 ZINC000296077035 434502283 /nfs/dbraw/zinc/50/22/83/434502283.db2.gz VRUGKTUVKHHZIM-UHFFFAOYSA-N 0 3 323.893 3.499 20 30 DGEDHN COc1cccc2c1CCN(CCCOc1cccc(C#N)c1)C2 ZINC000359879499 434449144 /nfs/dbraw/zinc/44/91/44/434449144.db2.gz QOJMEZYITOPRLG-UHFFFAOYSA-N 0 3 322.408 3.394 20 30 DGEDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000398108797 434457976 /nfs/dbraw/zinc/45/79/76/434457976.db2.gz CIURBLPNEPLADC-BEFAXECRSA-N 0 3 320.440 3.584 20 30 DGEDHN C=CCC1(NC(=O)N[C@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000458623625 434546625 /nfs/dbraw/zinc/54/66/25/434546625.db2.gz CDKLCXADTZDQBP-OAHLLOKOSA-N 0 3 305.466 3.215 20 30 DGEDHN C=CCC[C@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417909155 434546908 /nfs/dbraw/zinc/54/69/08/434546908.db2.gz HXWOKQFHFNMYFY-ZOBUZTSGSA-N 0 3 301.434 3.086 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000348918844 434554373 /nfs/dbraw/zinc/55/43/73/434554373.db2.gz CTMMFWIGWRKYIL-UHFFFAOYSA-N 0 3 307.441 3.431 20 30 DGEDHN COc1cc(N[C@H]2CCCN([C@@H](C)CCC#N)C2)cc(OC)c1 ZINC000411382952 295003734 /nfs/dbraw/zinc/00/37/34/295003734.db2.gz LASFOCQRUVSADP-GJZGRUSLSA-N 0 3 317.433 3.272 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CCCC2)C1 ZINC000408441308 434576841 /nfs/dbraw/zinc/57/68/41/434576841.db2.gz CZTLHEKAQWREKV-RDJZCZTQSA-N 0 3 305.466 3.086 20 30 DGEDHN COc1cc(CN[C@@H](C)[C@H]2COc3ccccc32)ccc1C#N ZINC000368516862 434578160 /nfs/dbraw/zinc/57/81/60/434578160.db2.gz DWZANTNRHNHKQD-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN CCCCCCCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000369271991 434591822 /nfs/dbraw/zinc/59/18/22/434591822.db2.gz VLXFXENOTJRWKR-INIZCTEOSA-N 0 3 310.482 3.059 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000369388839 434593565 /nfs/dbraw/zinc/59/35/65/434593565.db2.gz ISENGIGOLVKNOH-QGZVFWFLSA-N 0 3 307.397 3.033 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439335474 434594815 /nfs/dbraw/zinc/59/48/15/434594815.db2.gz ZJBLULGINXMWEH-SJLPKXTDSA-N 0 3 313.445 3.017 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](c2ccco2)C1 ZINC000369590948 434595749 /nfs/dbraw/zinc/59/57/49/434595749.db2.gz IUFSLWZGPLGVPR-OAHLLOKOSA-N 0 3 312.369 3.028 20 30 DGEDHN CC(C)[C@H](NCc1cc(C#N)ccc1F)C1(CO)CCCC1 ZINC000459533613 434596023 /nfs/dbraw/zinc/59/60/23/434596023.db2.gz PJACBGFIPNCKQG-KRWDZBQOSA-N 0 3 304.409 3.364 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000424075956 434614306 /nfs/dbraw/zinc/61/43/06/434614306.db2.gz KOYZACKZLZIRLJ-KRWDZBQOSA-N 0 3 307.397 3.237 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000424068095 434616019 /nfs/dbraw/zinc/61/60/19/434616019.db2.gz QZINRNLZCVFYSU-RBUKOAKNSA-N 0 3 321.424 3.108 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000424077663 434617023 /nfs/dbraw/zinc/61/70/23/434617023.db2.gz OFJFPJISBAYYLQ-GOSISDBHSA-N 0 3 323.396 3.225 20 30 DGEDHN CC(C)(CC#N)CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418287701 434622804 /nfs/dbraw/zinc/62/28/04/434622804.db2.gz HGUAVKLCDBFYJX-QGZVFWFLSA-N 0 3 324.428 3.079 20 30 DGEDHN CC(C)(CC#N)CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418287700 434623520 /nfs/dbraw/zinc/62/35/20/434623520.db2.gz HGUAVKLCDBFYJX-KRWDZBQOSA-N 0 3 324.428 3.079 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC1c2ccccc2Oc2ccccc21 ZINC000424109378 434624424 /nfs/dbraw/zinc/62/44/24/434624424.db2.gz AHHGOCRALKSBKG-HNNXBMFYSA-N 0 3 321.380 3.019 20 30 DGEDHN C[C@@H](c1ccccc1Cl)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424107144 434625496 /nfs/dbraw/zinc/62/54/96/434625496.db2.gz YLSCIYPVCJFUNI-BLLLJJGKSA-N 0 3 319.836 3.413 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000424122160 434626954 /nfs/dbraw/zinc/62/69/54/434626954.db2.gz GOYVHLHYHVQEIJ-CRAIPNDOSA-N 0 3 324.428 3.243 20 30 DGEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1ccccc1 ZINC000424122219 434627686 /nfs/dbraw/zinc/62/76/86/434627686.db2.gz IYPOSMCMHTUGSV-RDJZCZTQSA-N 0 3 301.434 3.397 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000424123232 434628310 /nfs/dbraw/zinc/62/83/10/434628310.db2.gz KNHVZNSZNSNMCD-KRWDZBQOSA-N 0 3 315.417 3.105 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000424116340 434628461 /nfs/dbraw/zinc/62/84/61/434628461.db2.gz AFHLZXZYTADYKD-HNNXBMFYSA-N 0 3 319.380 3.107 20 30 DGEDHN Cc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCC#N)cn2)cc1 ZINC000424131608 434630407 /nfs/dbraw/zinc/63/04/07/434630407.db2.gz JJHLOZIVTMXXRY-INIZCTEOSA-N 0 3 324.384 3.142 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000424150623 434636570 /nfs/dbraw/zinc/63/65/70/434636570.db2.gz IYPDYALKOBGECU-LBPRGKRZSA-N 0 3 313.323 3.141 20 30 DGEDHN CCC(C)(C)c1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424166264 434640873 /nfs/dbraw/zinc/64/08/73/434640873.db2.gz CBZUSLXZMINJAF-MRXNPFEDSA-N 0 3 301.434 3.012 20 30 DGEDHN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424180444 434645929 /nfs/dbraw/zinc/64/59/29/434645929.db2.gz OIYZHOQAKIPIGK-DLBZAZTESA-N 0 3 301.434 3.172 20 30 DGEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424171914 434644370 /nfs/dbraw/zinc/64/43/70/434644370.db2.gz MLUOJEKZSKOLPX-STQMWFEESA-N 0 3 322.478 3.116 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000369617926 434599019 /nfs/dbraw/zinc/59/90/19/434599019.db2.gz SRPXRLVPINPVEM-QFBILLFUSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@](C)(CCc3ccccc3)C2)C1=O ZINC000410407324 434644819 /nfs/dbraw/zinc/64/48/19/434644819.db2.gz ORMOKRHJHMOBMM-ICSRJNTNSA-N 0 3 312.457 3.118 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)nc1 ZINC000459558398 434607343 /nfs/dbraw/zinc/60/73/43/434607343.db2.gz NMKRMXZDORFPTN-LJQANCHMSA-N 0 3 319.408 3.484 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000370247040 434609347 /nfs/dbraw/zinc/60/93/47/434609347.db2.gz KZTUXLAHNBYVBT-INIZCTEOSA-N 0 3 307.409 3.283 20 30 DGEDHN C#Cc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000370194163 434609864 /nfs/dbraw/zinc/60/98/64/434609864.db2.gz NUADRYSQWNGMDY-UHFFFAOYSA-N 0 3 324.468 3.329 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000424066930 434612451 /nfs/dbraw/zinc/61/24/51/434612451.db2.gz UUBDVMQMEJUASP-STQMWFEESA-N 0 3 323.849 3.014 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440337787 434696125 /nfs/dbraw/zinc/69/61/25/434696125.db2.gz ZGWGAXAUUMYBBM-OXQOHEQNSA-N 0 3 312.457 3.047 20 30 DGEDHN CC[C@@H](CN(CC)C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424175430 434646272 /nfs/dbraw/zinc/64/62/72/434646272.db2.gz QEQYXWMUCBWGFW-RDJZCZTQSA-N 0 3 301.434 3.050 20 30 DGEDHN CC[C@H](CN(CC)C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424175431 434646757 /nfs/dbraw/zinc/64/67/57/434646757.db2.gz QEQYXWMUCBWGFW-WBVHZDCISA-N 0 3 301.434 3.050 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)Cc2cc(C#N)cs2)c1 ZINC000349310639 434666821 /nfs/dbraw/zinc/66/68/21/434666821.db2.gz BDUKNOKMIJTMBL-UHFFFAOYSA-N 0 3 313.470 3.492 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2CCO[C@H]2C2CC2)ccc1OC ZINC000371343685 434671310 /nfs/dbraw/zinc/67/13/10/434671310.db2.gz HNNDPBKZYBILCP-APWZRJJASA-N 0 3 317.429 3.307 20 30 DGEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2CCc2ccccc2)nn1 ZINC000424300193 434684564 /nfs/dbraw/zinc/68/45/64/434684564.db2.gz XBLKIGJLXTZBLN-MJGOQNOKSA-N 0 3 310.445 3.355 20 30 DGEDHN COc1cc(CN[C@@H](C)COc2cccc(C)c2)ccc1C#N ZINC000440815505 434748029 /nfs/dbraw/zinc/74/80/29/434748029.db2.gz URNGGALIOCKLKA-HNNXBMFYSA-N 0 3 310.397 3.432 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1nnc(C(F)F)s1)C(C)C ZINC000360880468 434718483 /nfs/dbraw/zinc/71/84/83/434718483.db2.gz WLWCKDAHFXUKQE-NSHDSACASA-N 0 3 316.421 3.586 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H]2CC(C)(C)CCc3ccccc32)C1=O ZINC000440649876 434730399 /nfs/dbraw/zinc/73/03/99/434730399.db2.gz SWEOPUAAPJWBMK-MSOLQXFVSA-N 0 3 312.457 3.467 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419326677 434773140 /nfs/dbraw/zinc/77/31/40/434773140.db2.gz MLFIXSRQJKKJLR-DAYGRLMNSA-N 0 3 307.482 3.187 20 30 DGEDHN COCCCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000419388795 434782807 /nfs/dbraw/zinc/78/28/07/434782807.db2.gz OEJORGGXURYQLM-UHFFFAOYSA-N 0 3 315.335 3.295 20 30 DGEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000361081388 434790268 /nfs/dbraw/zinc/79/02/68/434790268.db2.gz YUWMYGQIRXPGLE-MRVPVSSYSA-N 0 3 315.598 3.221 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC[C@@H](C)N(C)C2CC2)CCCC1(C)C ZINC000445010326 434790966 /nfs/dbraw/zinc/79/09/66/434790966.db2.gz FXEPLBPWKDMVTP-ZBFHGGJFSA-N 0 3 307.482 3.245 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000424890415 434823925 /nfs/dbraw/zinc/82/39/25/434823925.db2.gz YOHZWJGZKBMUSL-UHFFFAOYSA-N 0 3 308.397 3.307 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054946 434863253 /nfs/dbraw/zinc/86/32/53/434863253.db2.gz JXAHZXPIAAOOFM-QAPCUYQASA-N 0 3 311.429 3.096 20 30 DGEDHN C=CCN1CCC(N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000361215313 434831990 /nfs/dbraw/zinc/83/19/90/434831990.db2.gz IRSSUDOAYRQXRV-ZDUSSCGKSA-N 0 3 322.424 3.144 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000522083288 434911502 /nfs/dbraw/zinc/91/15/02/434911502.db2.gz KRKYKBKQZFNWSW-CVEARBPZSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CNCc2ccccc21 ZINC000573681396 434918241 /nfs/dbraw/zinc/91/82/41/434918241.db2.gz YUMROMHMEJBDLN-SFHVURJKSA-N 0 3 324.399 3.227 20 30 DGEDHN C#C[C@H](C)N(C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000491808150 434866225 /nfs/dbraw/zinc/86/62/25/434866225.db2.gz VKCZVCCGZOJFHH-ZDUSSCGKSA-N 0 3 301.365 3.070 20 30 DGEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000574178071 434956639 /nfs/dbraw/zinc/95/66/39/434956639.db2.gz VUIXEPPOBWTTHZ-UHFFFAOYSA-N 0 3 306.837 3.365 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000555261001 434967398 /nfs/dbraw/zinc/96/73/98/434967398.db2.gz NSONVYGYEHDQHG-CVEARBPZSA-N 0 3 319.497 3.144 20 30 DGEDHN COc1cccc([C@H](CNCc2ccc(C#N)c(F)c2)OC)c1 ZINC000527732824 435014240 /nfs/dbraw/zinc/01/42/40/435014240.db2.gz ABJPHUAGZMVEKH-SFHVURJKSA-N 0 3 314.360 3.183 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]2C1)C(C)C ZINC000465132219 435019032 /nfs/dbraw/zinc/01/90/32/435019032.db2.gz DDBHOFNTGSEKBS-OKZBNKHCSA-N 0 3 319.493 3.127 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000528146395 435021004 /nfs/dbraw/zinc/02/10/04/435021004.db2.gz KZEKRLXHSMNPRH-NVXWUHKLSA-N 0 3 313.445 3.268 20 30 DGEDHN CCOCC(C)(C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000555583201 434979294 /nfs/dbraw/zinc/97/92/94/434979294.db2.gz VDEXSEOIPSPMCT-UHFFFAOYSA-N 0 3 315.335 3.341 20 30 DGEDHN CN(C(=O)CN1CCC[C@H]1C(C)(C)C)C1(C#N)CCCCC1 ZINC000524756758 434988722 /nfs/dbraw/zinc/98/87/22/434988722.db2.gz NGZBXMHPHMIEHW-HNNXBMFYSA-N 0 3 305.466 3.182 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000525953607 435008943 /nfs/dbraw/zinc/00/89/43/435008943.db2.gz YECQXGHWCZDFHA-DOTOQJQBSA-N 0 3 314.429 3.137 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2CCCC3)nc(C)n1 ZINC000556479876 435009493 /nfs/dbraw/zinc/00/94/93/435009493.db2.gz BWZNBBDCWPBGMU-KRWDZBQOSA-N 0 3 305.381 3.462 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000527224586 435012023 /nfs/dbraw/zinc/01/20/23/435012023.db2.gz CHWIMVNGSMIEJX-GOSISDBHSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C=CCCC1)C(C)C ZINC000466229260 435066472 /nfs/dbraw/zinc/06/64/72/435066472.db2.gz VTKPMNFJVBBDGH-SJORKVTESA-N 0 3 305.466 3.093 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1[C@H](C)CC[C@@H]1C)C(C)C ZINC000466222860 435066546 /nfs/dbraw/zinc/06/65/46/435066546.db2.gz HCPZWYUGEGMBBL-IXDOHACOSA-N 0 3 307.482 3.267 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C=CCCC1)C(C)C ZINC000466229258 435066824 /nfs/dbraw/zinc/06/68/24/435066824.db2.gz VTKPMNFJVBBDGH-IAGOWNOFSA-N 0 3 305.466 3.093 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000466377876 435073504 /nfs/dbraw/zinc/07/35/04/435073504.db2.gz HVWWQAADTGPJLI-KRWDZBQOSA-N 0 3 303.450 3.115 20 30 DGEDHN CC(C)C[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000466669864 435086476 /nfs/dbraw/zinc/08/64/76/435086476.db2.gz HUUSBIOSTXDMCY-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)C[C@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000466693328 435088089 /nfs/dbraw/zinc/08/80/89/435088089.db2.gz VBEUVIHQOOYHLM-MRXNPFEDSA-N 0 3 305.466 3.230 20 30 DGEDHN COCCC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000529633190 435038891 /nfs/dbraw/zinc/03/88/91/435038891.db2.gz WRKMERGKXNXZLB-SFHVURJKSA-N 0 3 314.429 3.034 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000465859281 435049267 /nfs/dbraw/zinc/04/92/67/435049267.db2.gz KEAVWDWACHSLTG-LZLYRXPVSA-N 0 3 319.493 3.295 20 30 DGEDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000557468554 435054030 /nfs/dbraw/zinc/05/40/30/435054030.db2.gz GYZWVWJEAFLDPD-QFBILLFUSA-N 0 3 324.424 3.152 20 30 DGEDHN Cc1nc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)oc1C ZINC000576093691 435054304 /nfs/dbraw/zinc/05/43/04/435054304.db2.gz OVFVJGVKGPPTKQ-SNVBAGLBSA-N 0 3 318.402 3.291 20 30 DGEDHN C=CCCCCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000576477687 435055275 /nfs/dbraw/zinc/05/52/75/435055275.db2.gz ZDHQAPYKWBXCHZ-YESZJQIVSA-N 0 3 307.482 3.105 20 30 DGEDHN Cc1ccc(C)c(OC[C@@H](O)CNCc2ccc(C#N)cc2)c1C ZINC000578618485 435096312 /nfs/dbraw/zinc/09/63/12/435096312.db2.gz BHVSWXHIODJLQZ-IBGZPJMESA-N 0 3 324.424 3.013 20 30 DGEDHN Cc1ccccc1C(C)(C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000559326622 435127560 /nfs/dbraw/zinc/12/75/60/435127560.db2.gz YARJYFXUINDUNK-UHFFFAOYSA-N 0 3 307.397 3.330 20 30 DGEDHN CC(C)N(CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494052106 435194518 /nfs/dbraw/zinc/19/45/18/435194518.db2.gz FNKBBSJQBGSUQE-UHFFFAOYSA-N 0 3 309.454 3.258 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000532918407 435198558 /nfs/dbraw/zinc/19/85/58/435198558.db2.gz VANJCBCMDUQKOS-JLSDUUJJSA-N 0 3 311.429 3.397 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000561227648 435206955 /nfs/dbraw/zinc/20/69/55/435206955.db2.gz GCKNMHXRWNZCTQ-HNNXBMFYSA-N 0 3 306.413 3.013 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)c(O)cc1Cl ZINC000639149037 435174051 /nfs/dbraw/zinc/17/40/51/435174051.db2.gz VZFTWPJRDFNVAL-ZBEGNZNMSA-N 0 3 311.809 3.125 20 30 DGEDHN C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000496157707 435210134 /nfs/dbraw/zinc/21/01/34/435210134.db2.gz IXYSEWRLQJMVMZ-UONOGXRCSA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@H]1CCN(CCC(C)(C)C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496655754 435237236 /nfs/dbraw/zinc/23/72/36/435237236.db2.gz SCYMTJBDPFXJII-LSDHHAIUSA-N 0 3 323.481 3.409 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000582316225 435239761 /nfs/dbraw/zinc/23/97/61/435239761.db2.gz GEKWQQLEAMBNSE-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496306375 298365167 /nfs/dbraw/zinc/36/51/67/298365167.db2.gz KZADPIOURBAYEG-KFWWJZLASA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@H](CCC#N)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496306376 298365439 /nfs/dbraw/zinc/36/54/39/298365439.db2.gz KZADPIOURBAYEG-QLFBSQMISA-N 0 3 307.438 3.010 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cncnc1C)C(C)C ZINC000563416011 435267703 /nfs/dbraw/zinc/26/77/03/435267703.db2.gz FHNWZZUPXMRWET-QAPCUYQASA-N 0 3 302.466 3.134 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000496911439 435270492 /nfs/dbraw/zinc/27/04/92/435270492.db2.gz MJMSJMRIJAFEOG-JONQDZQNSA-N 0 3 321.465 3.304 20 30 DGEDHN C=C[C@@H](CC(=O)NCCCNCc1cccnc1)c1ccccc1 ZINC000564572801 435272904 /nfs/dbraw/zinc/27/29/04/435272904.db2.gz VGJMUAVDVSRXGD-SFHVURJKSA-N 0 3 323.440 3.037 20 30 DGEDHN C=CCN1CCC(NCc2nc(C(C)C)n3ccccc23)CC1 ZINC000565080364 435276562 /nfs/dbraw/zinc/27/65/62/435276562.db2.gz ZGLHZENPQPIXNV-UHFFFAOYSA-N 0 3 312.461 3.198 20 30 DGEDHN CN(C)C[C@H](CNC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000565603687 435280009 /nfs/dbraw/zinc/28/00/09/435280009.db2.gz NNFAFXJDMAAKGR-AWEZNQCLSA-N 0 3 321.852 3.041 20 30 DGEDHN COC(=O)[C@@H](CCN1CCC(CCC#N)CC1)c1ccccc1 ZINC000566066573 435283660 /nfs/dbraw/zinc/28/36/60/435283660.db2.gz ZCIBXDDKDZNKCT-SFHVURJKSA-N 0 3 314.429 3.349 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497030518 435287445 /nfs/dbraw/zinc/28/74/45/435287445.db2.gz BBOGICVGBSAEMF-YJBOKZPZSA-N 0 3 321.465 3.402 20 30 DGEDHN CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000566680446 435288278 /nfs/dbraw/zinc/28/82/78/435288278.db2.gz GVTNKHRMWKOPRA-ZWKOTPCHSA-N 0 3 313.445 3.495 20 30 DGEDHN C=C(C)CN1CCC(Nc2cc(SC)nc(SC)n2)CC1 ZINC000567179720 435294022 /nfs/dbraw/zinc/29/40/22/435294022.db2.gz RBYQBWYFHNSBLY-UHFFFAOYSA-N 0 3 324.519 3.373 20 30 DGEDHN Cc1nc(N[C@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000589862914 435296326 /nfs/dbraw/zinc/29/63/26/435296326.db2.gz MOOFUADZUXATSE-LJQANCHMSA-N 0 3 320.440 3.901 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1nc(C#N)c(Cl)s1)C(C)C ZINC000590571602 435298756 /nfs/dbraw/zinc/29/87/56/435298756.db2.gz SSUGCWGONFSMMV-CYBMUJFWSA-N 0 3 324.881 3.779 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC(F)(F)C1)C(C)C ZINC000479683037 435348394 /nfs/dbraw/zinc/34/83/94/435348394.db2.gz GVXSRTSCPLHTAO-CABCVRRESA-N 0 3 314.420 3.237 20 30 DGEDHN CCN1[C@H](C)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000639743047 435406655 /nfs/dbraw/zinc/40/66/55/435406655.db2.gz GACGWPHOCZCWNM-GASCZTMLSA-N 0 3 324.390 3.471 20 30 DGEDHN COC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000514129251 435414956 /nfs/dbraw/zinc/41/49/56/435414956.db2.gz UVMJXMGFXAVBBC-OAHLLOKOSA-N 0 3 322.408 3.466 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@H](c3ccc(CC)cc3)C2)C1=O ZINC000513420698 435389577 /nfs/dbraw/zinc/38/95/77/435389577.db2.gz QARBQQHQYQGTQU-RBUKOAKNSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCC[C@H](O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481821193 435445109 /nfs/dbraw/zinc/44/51/09/435445109.db2.gz DKJHSMCFHRQXIV-NXOAAHMSSA-N 0 3 323.477 3.288 20 30 DGEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481396352 435425270 /nfs/dbraw/zinc/42/52/70/435425270.db2.gz BZQCKMJEYIDRBZ-NHYWBVRUSA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCCC12CCN(C)CC2 ZINC000637621576 435486982 /nfs/dbraw/zinc/48/69/82/435486982.db2.gz QWSNLXUTBIWLFK-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483109691 435495075 /nfs/dbraw/zinc/49/50/75/435495075.db2.gz KENIVPHGEOSRAB-DOTOQJQBSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000483137986 435497295 /nfs/dbraw/zinc/49/72/95/435497295.db2.gz LZVCATCWKHORBY-BBWFWOEESA-N 0 3 321.509 3.398 20 30 DGEDHN C=C(C)[C@@H](CO)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000649278353 435554586 /nfs/dbraw/zinc/55/45/86/435554586.db2.gz OFWLOTSRIVMLFG-GOSISDBHSA-N 0 3 300.402 3.143 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000649235075 435544968 /nfs/dbraw/zinc/54/49/68/435544968.db2.gz ZMCLAGOGBHINKC-GOSISDBHSA-N 0 3 301.430 3.135 20 30 DGEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000486786722 435613401 /nfs/dbraw/zinc/61/34/01/435613401.db2.gz FAGYNAVCTYDAPQ-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1CCC1CCCC1 ZINC000486809072 435616025 /nfs/dbraw/zinc/61/60/25/435616025.db2.gz NINOFJCYDIKIDM-IEBWSBKVSA-N 0 3 319.493 3.476 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CCC1CCCC1 ZINC000486809075 435616396 /nfs/dbraw/zinc/61/63/96/435616396.db2.gz NINOFJCYDIKIDM-PKOBYXMFSA-N 0 3 319.493 3.476 20 30 DGEDHN CC#CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486848163 435618269 /nfs/dbraw/zinc/61/82/69/435618269.db2.gz UMZFTWLYGPSFNJ-VQIMIIECSA-N 0 3 307.397 3.113 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C(C)C)on1)C(C)C ZINC000486915662 435621019 /nfs/dbraw/zinc/62/10/19/435621019.db2.gz HBBBJRWZUXQFOJ-MRXNPFEDSA-N 0 3 319.449 3.226 20 30 DGEDHN CC1(C)CCN(CCC(=O)Nc2sccc2C#N)CCS1 ZINC000570507294 435626702 /nfs/dbraw/zinc/62/67/02/435626702.db2.gz PVDJKBVNUYWSOO-UHFFFAOYSA-N 0 3 323.487 3.166 20 30 DGEDHN C=C(CC)CN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000540342742 435598718 /nfs/dbraw/zinc/59/87/18/435598718.db2.gz PDINGLSDFGLDNJ-HNNXBMFYSA-N 0 3 324.490 3.334 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2C2CCC2)CC1 ZINC000645264315 435606935 /nfs/dbraw/zinc/60/69/35/435606935.db2.gz DACJEHVGNWTCCC-SFHVURJKSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000540556703 435607383 /nfs/dbraw/zinc/60/73/83/435607383.db2.gz MECJEDMARXBGGV-FUHWJXTLSA-N 0 3 317.477 3.203 20 30 DGEDHN Cc1c(Cl)cnc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N ZINC000488736654 435642559 /nfs/dbraw/zinc/64/25/59/435642559.db2.gz VKVCWQNGBIHJQK-XHBSWPGZSA-N 0 3 318.852 3.082 20 30 DGEDHN C[C@H]1C[C@@H]1N1CCN(c2ccc(Cl)cc2C#N)C[C@@H](C)C1 ZINC000488732339 435643249 /nfs/dbraw/zinc/64/32/49/435643249.db2.gz NGOVYQZPZYRPJK-IGCXYCKISA-N 0 3 303.837 3.378 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000541579711 435644079 /nfs/dbraw/zinc/64/40/79/435644079.db2.gz YIKYJHLJGXSLGV-UHFFFAOYSA-N 0 3 314.355 3.256 20 30 DGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000489515470 435649418 /nfs/dbraw/zinc/64/94/18/435649418.db2.gz RPKXFUZVKLJURU-CQSZACIVSA-N 0 3 317.389 3.272 20 30 DGEDHN C=C1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000519444259 435682576 /nfs/dbraw/zinc/68/25/76/435682576.db2.gz VERYFKSVUGULHK-KRWDZBQOSA-N 0 3 303.446 3.376 20 30 DGEDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000571284712 435694651 /nfs/dbraw/zinc/69/46/51/435694651.db2.gz LXGIMRXSEFLDKV-BBRMVZONSA-N 0 3 311.433 3.248 20 30 DGEDHN C=CCN(CCOc1ccc(OC)cc1)CCc1ccco1 ZINC000491298316 435726207 /nfs/dbraw/zinc/72/62/07/435726207.db2.gz WIXBTDJYWYPDSP-UHFFFAOYSA-N 0 3 301.386 3.398 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@H]2CCCC[C@H]2C)c1C#N ZINC000548731101 435713466 /nfs/dbraw/zinc/71/34/66/435713466.db2.gz LLLDJXYSVBJFPV-DYVFJYSZSA-N 0 3 300.402 3.355 20 30 DGEDHN C#C[C@H](N[C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000491661259 435788360 /nfs/dbraw/zinc/78/83/60/435788360.db2.gz FOWFOEONNAHVJQ-HZSPNIEDSA-N 0 3 301.283 3.200 20 30 DGEDHN C#C[C@@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000491752422 435805156 /nfs/dbraw/zinc/80/51/56/435805156.db2.gz YSNLSAPIZWVBQS-HXUWFJFHSA-N 0 3 323.415 3.149 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccccc1OCc1cccnc1 ZINC000641759983 435813025 /nfs/dbraw/zinc/81/30/25/435813025.db2.gz KORKCESYGGVHPI-GOSISDBHSA-N 0 3 312.413 3.077 20 30 DGEDHN CC#CC[C@H](CO)NC/C(C)=C/c1ccccc1OC(F)F ZINC000641768305 435817074 /nfs/dbraw/zinc/81/70/74/435817074.db2.gz ZFXOEMKMUVVQNK-NRMKIYEFSA-N 0 3 309.356 3.055 20 30 DGEDHN C=CC[C@@H](CO)CNCc1oc2ccccc2c1Br ZINC000655756145 435776048 /nfs/dbraw/zinc/77/60/48/435776048.db2.gz PCOFIAOVJDPJAW-LLVKDONJSA-N 0 3 324.218 3.470 20 30 DGEDHN C#C[C@H](CC)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000491642974 435784426 /nfs/dbraw/zinc/78/44/26/435784426.db2.gz ZIIFJANHIICGRF-QGZVFWFLSA-N 0 3 310.397 3.171 20 30 DGEDHN C=CCOc1ccccc1CN[C@H]1CCCc2c1ccc(=O)n2C ZINC000652044595 435895735 /nfs/dbraw/zinc/89/57/35/435895735.db2.gz QAVNCPICUVDECC-KRWDZBQOSA-N 0 3 324.424 3.117 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000665386044 435965291 /nfs/dbraw/zinc/96/52/91/435965291.db2.gz NXJGWFZMMOMJRB-ZHALLVOQSA-N 0 3 319.493 3.249 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2ccccc2c(=O)n1C ZINC000661115909 435969529 /nfs/dbraw/zinc/96/95/29/435969529.db2.gz GHWSCQDKQGJYRC-GOEBONIOSA-N 0 3 311.429 3.158 20 30 DGEDHN C=CCN(CCC(=O)Nc1cccc(Cl)c1)[C@@H](C)COC ZINC000661241816 436002922 /nfs/dbraw/zinc/00/29/22/436002922.db2.gz BQGCYABMLBJFMG-ZDUSSCGKSA-N 0 3 310.825 3.192 20 30 DGEDHN C=CCN(Cc1ccc(OC(F)F)c(OC)c1)[C@H](C)COC ZINC000661247427 436009141 /nfs/dbraw/zinc/00/91/41/436009141.db2.gz OSHNLVIKOCHUCK-GFCCVEGCSA-N 0 3 315.360 3.320 20 30 DGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000661378276 436049717 /nfs/dbraw/zinc/04/97/17/436049717.db2.gz BMALSJHAFAOLTG-HUUCEWRRSA-N 0 3 318.486 3.309 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N(CC)[C@H]2CCN(C)C2)c1 ZINC000665956460 436106538 /nfs/dbraw/zinc/10/65/38/436106538.db2.gz QUMXJTSEXSGPNB-INIZCTEOSA-N 0 3 317.433 3.199 20 30 DGEDHN C=CCCn1cc(CNCC[C@@H](C)c2ccc(OC)cc2)nn1 ZINC000657377085 436166723 /nfs/dbraw/zinc/16/67/23/436166723.db2.gz YDSJAFNLHFZHRA-OAHLLOKOSA-N 0 3 314.433 3.146 20 30 DGEDHN C=CCCn1cc(CN2CCC[C@@H]2Cc2ccccc2C)nn1 ZINC000653556800 436204677 /nfs/dbraw/zinc/20/46/77/436204677.db2.gz KEWWLPLUZGSMCZ-LJQANCHMSA-N 0 3 310.445 3.370 20 30 DGEDHN C=CCC1(NCC(=O)Nc2ccc(OC)cc2OC)CCCC1 ZINC000661848622 436208274 /nfs/dbraw/zinc/20/82/74/436208274.db2.gz LAZOGBMAKPDGOF-UHFFFAOYSA-N 0 3 318.417 3.121 20 30 DGEDHN C=CCC1(NCc2cnc([C@H]3CCCO3)s2)CCOCC1 ZINC000657633112 436265244 /nfs/dbraw/zinc/26/52/44/436265244.db2.gz HEUQKLGEXCSXGB-CQSZACIVSA-N 0 3 308.447 3.210 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000662082933 436267729 /nfs/dbraw/zinc/26/77/29/436267729.db2.gz YOPCUYUSTCCUMI-JFRXWTBNSA-N 0 3 312.457 3.478 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000662081247 436268416 /nfs/dbraw/zinc/26/84/16/436268416.db2.gz NWWXVDXGSWPJQZ-OLMNPRSZSA-N 0 3 316.420 3.356 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000662084023 436269599 /nfs/dbraw/zinc/26/95/99/436269599.db2.gz MFCHCQGGQKSKGG-CALCHBBNSA-N 0 3 314.429 3.262 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000662086565 436269735 /nfs/dbraw/zinc/26/97/35/436269735.db2.gz VOHZEAVILGTIFZ-ZTXKGSLASA-N 0 3 314.473 3.254 20 30 DGEDHN C=CCOCCCNCc1c(F)cccc1OC(F)(F)F ZINC000657658826 436271329 /nfs/dbraw/zinc/27/13/29/436271329.db2.gz GBKOIKRRVIZWMY-UHFFFAOYSA-N 0 3 307.287 3.407 20 30 DGEDHN C=CCc1cc(CNC[C@@H]2CCC[C@H](C)O2)cc(OC)c1O ZINC000657663091 436271346 /nfs/dbraw/zinc/27/13/46/436271346.db2.gz DSJLEUKPTAYBRH-BBRMVZONSA-N 0 3 305.418 3.177 20 30 DGEDHN C=CCOCCCNCc1cc(Br)c(OC)s1 ZINC000657658046 436271369 /nfs/dbraw/zinc/27/13/69/436271369.db2.gz KFJASRRUWILTMW-UHFFFAOYSA-N 0 3 320.252 3.202 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(CCC)C1 ZINC000667028800 436328129 /nfs/dbraw/zinc/32/81/29/436328129.db2.gz GHINNSXADOTJIS-INIZCTEOSA-N 0 3 301.434 3.411 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CCNC2 ZINC000662599795 436367951 /nfs/dbraw/zinc/36/79/51/436367951.db2.gz ATPNPSWRBPLTKJ-GXTWGEPZSA-N 0 3 304.459 3.259 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(N3CCCC3)c2)nc(C)n1 ZINC000659024405 436460070 /nfs/dbraw/zinc/46/00/70/436460070.db2.gz BTUPXLOGXQPHMN-QGZVFWFLSA-N 0 3 320.396 3.184 20 30 DGEDHN C=CCC[C@@H](NC1CCN([C@H]2CCOC2)CC1)c1ccco1 ZINC000658293775 436420301 /nfs/dbraw/zinc/42/03/01/436420301.db2.gz CCVODFURHKIZJQ-DLBZAZTESA-N 0 3 304.434 3.130 20 30 DGEDHN C=CCC[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccco1 ZINC000658293778 436420790 /nfs/dbraw/zinc/42/07/90/436420790.db2.gz CCVODFURHKIZJQ-SJORKVTESA-N 0 3 304.434 3.130 20 30 DGEDHN C=CCC[C@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccco1 ZINC000658310153 436426822 /nfs/dbraw/zinc/42/68/22/436426822.db2.gz BBJXJGFRHBPNQW-YJBOKZPZSA-N 0 3 307.434 3.444 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000660325529 436623469 /nfs/dbraw/zinc/62/34/69/436623469.db2.gz ZPVMYEVFEVNZGU-MRXNPFEDSA-N 0 3 315.461 3.246 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C1 ZINC000282259360 303159553 /nfs/dbraw/zinc/15/95/53/303159553.db2.gz CPWXRCSWOPHWRT-NEWSRXKRSA-N 0 3 321.424 3.262 20 30 DGEDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000330977313 533699093 /nfs/dbraw/zinc/69/90/93/533699093.db2.gz OPNXAULZFRXLJX-UHFFFAOYSA-N 0 3 319.405 3.330 20 30 DGEDHN Cc1ccc(CCCN2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000541282237 314005182 /nfs/dbraw/zinc/00/51/82/314005182.db2.gz IOFRQKLCBOHSPE-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000544898354 314216942 /nfs/dbraw/zinc/21/69/42/314216942.db2.gz QEGIHZAXGZMHSD-FUHWJXTLSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000544898357 314216968 /nfs/dbraw/zinc/21/69/68/314216968.db2.gz QEGIHZAXGZMHSD-WMZOPIPTSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000544898320 314217049 /nfs/dbraw/zinc/21/70/49/314217049.db2.gz RYBXSUQRXRJCKA-HNNXBMFYSA-N 0 3 307.397 3.464 20 30 DGEDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554522869 314686239 /nfs/dbraw/zinc/68/62/39/314686239.db2.gz CZOAHOVKNJMUQG-IINYFYTJSA-N 0 3 305.809 3.317 20 30 DGEDHN COC[C@@H](NCc1cc(C#N)ccc1Br)C(C)C ZINC000562360634 315013735 /nfs/dbraw/zinc/01/37/35/315013735.db2.gz LZWVHSKUAJZDNL-CQSZACIVSA-N 0 3 311.223 3.081 20 30 DGEDHN COCCCCN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000563354745 315105818 /nfs/dbraw/zinc/10/58/18/315105818.db2.gz KEJGCTLEHXHTFW-UHFFFAOYSA-N 0 3 309.413 3.382 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1COc3cc(F)ccc3C1)CC2 ZINC000563445181 315116457 /nfs/dbraw/zinc/11/64/57/315116457.db2.gz ZERVUPAWQPFCIM-AEFFLSMTSA-N 0 3 308.356 3.278 20 30 DGEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)CC12CCCCC2 ZINC000564986400 315217272 /nfs/dbraw/zinc/21/72/72/315217272.db2.gz OFRDITNKWMWDSS-OAHLLOKOSA-N 0 3 323.444 3.393 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)c(F)c1 ZINC000566719185 315369620 /nfs/dbraw/zinc/36/96/20/315369620.db2.gz WEVOIWBJKVIWOH-SJLPKXTDSA-N 0 3 311.360 3.102 20 30 DGEDHN COc1ccc2c(c1)OC[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)C2 ZINC000570439282 315648950 /nfs/dbraw/zinc/64/89/50/315648950.db2.gz PPXYAVXCVWLGKT-QFBILLFUSA-N 0 3 320.392 3.147 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CNCc2cccc(C#N)c2)c1C ZINC000577500416 316242851 /nfs/dbraw/zinc/24/28/51/316242851.db2.gz HYPBGGGAGFJXFL-LJQANCHMSA-N 0 3 324.424 3.013 20 30 DGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000180453731 323229726 /nfs/dbraw/zinc/22/97/26/323229726.db2.gz WFPMPJJYZVHQGE-ZDUSSCGKSA-N 0 3 311.341 3.196 20 30 DGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000180453746 323229941 /nfs/dbraw/zinc/22/99/41/323229941.db2.gz WFPMPJJYZVHQGE-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN Cc1cccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000183730159 323346260 /nfs/dbraw/zinc/34/62/60/323346260.db2.gz QUOVIDDHEJAKRP-SJLPKXTDSA-N 0 3 324.424 3.266 20 30 DGEDHN CC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000580991798 324061433 /nfs/dbraw/zinc/06/14/33/324061433.db2.gz VPFHTOJTFXUYKQ-IEBWSBKVSA-N 0 3 310.397 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C\Sc2ccccc2)CC1 ZINC000255723214 331794249 /nfs/dbraw/zinc/79/42/49/331794249.db2.gz LUHNSEGEVDXFOR-RAXLEYEMSA-N 0 3 316.470 3.449 20 30 DGEDHN C=CCC(F)(F)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000292917055 335097690 /nfs/dbraw/zinc/09/76/90/335097690.db2.gz BDVPCCALKNQCCZ-ZDUSSCGKSA-N 0 3 310.388 3.443 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC2(C1)CCCCCC2 ZINC000526055701 333058170 /nfs/dbraw/zinc/05/81/70/333058170.db2.gz QDIBSWMJOIOMTM-INIZCTEOSA-N 0 3 317.477 3.374 20 30 DGEDHN CC#CCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000497208275 333222424 /nfs/dbraw/zinc/22/24/24/333222424.db2.gz JUOIXDZNNGPEHB-SFHVURJKSA-N 0 3 314.429 3.038 20 30 DGEDHN COc1cc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc(OC)c1OC ZINC000274197568 334056920 /nfs/dbraw/zinc/05/69/20/334056920.db2.gz JQHAQSLAZHTGHR-KCQAQPDRSA-N 0 3 318.417 3.445 20 30 DGEDHN COc1ccccc1O[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000286297053 334152625 /nfs/dbraw/zinc/15/26/25/334152625.db2.gz DEVXCSHXDNWXBN-OAHLLOKOSA-N 0 3 302.418 3.478 20 30 DGEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000534634716 334308848 /nfs/dbraw/zinc/30/88/48/334308848.db2.gz WTBKLRSKDHAAEX-UHFFFAOYSA-N 0 3 323.396 3.075 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000097079200 335839414 /nfs/dbraw/zinc/83/94/14/335839414.db2.gz CWUVDLCFCDCLHP-YJBOKZPZSA-N 0 3 315.461 3.372 20 30 DGEDHN CC(C#N)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000352151906 336196995 /nfs/dbraw/zinc/19/69/95/336196995.db2.gz WXHBXZHWCNKMMC-NXEZZACHSA-N 0 3 307.191 3.054 20 30 DGEDHN C=CCCC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CC1 ZINC000354730508 336480249 /nfs/dbraw/zinc/48/02/49/336480249.db2.gz KIIDMSAOFORFRR-UHFFFAOYSA-N 0 3 302.418 3.312 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000171700952 337088645 /nfs/dbraw/zinc/08/86/45/337088645.db2.gz BMJQSQWWENTMAU-SFHVURJKSA-N 0 3 315.461 3.477 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398165504 337307795 /nfs/dbraw/zinc/30/77/95/337307795.db2.gz MLLLFAOAXRIDKM-NVXWUHKLSA-N 0 3 313.445 3.096 20 30 DGEDHN C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000584662803 337378552 /nfs/dbraw/zinc/37/85/52/337378552.db2.gz LKWSDMUAJMYDOZ-OXJNMPFZSA-N 0 3 321.424 3.114 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H](C)C[C@@H](O)c1cccs1 ZINC000270658499 337642090 /nfs/dbraw/zinc/64/20/90/337642090.db2.gz NRIUTHNXMKOBID-GOEBONIOSA-N 0 3 315.438 3.362 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCc2ccccc2C1 ZINC000498926407 340026063 /nfs/dbraw/zinc/02/60/63/340026063.db2.gz BXORSSZFRHIZDH-MRXNPFEDSA-N 0 3 300.446 3.248 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)C1=O ZINC000499613242 340041074 /nfs/dbraw/zinc/04/10/74/340041074.db2.gz VYIOHQAMIPYIOA-OSMBCOQSSA-N 0 3 318.848 3.414 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C[C@@H](CC)c2ccccc2)C1=O ZINC000499646210 340042204 /nfs/dbraw/zinc/04/22/04/340042204.db2.gz ZRNLHFNIXKLTNO-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOc1ccccc1C(=O)NCCN1CCCC[C@H]1CC ZINC000499721208 340043356 /nfs/dbraw/zinc/04/33/56/340043356.db2.gz BGLARIVEDDXMLM-MRXNPFEDSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C)CC1)C(C)C ZINC000503409078 340127603 /nfs/dbraw/zinc/12/76/03/340127603.db2.gz IRJXEJWDEWMACM-KRWDZBQOSA-N 0 3 307.482 3.127 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508883869 340255129 /nfs/dbraw/zinc/25/51/29/340255129.db2.gz XFJFAMGASVZXBY-NXHRZFHOSA-N 0 3 315.461 3.428 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508894063 340255337 /nfs/dbraw/zinc/25/53/37/340255337.db2.gz KAXOMJPIBMLOSL-WBVHZDCISA-N 0 3 303.450 3.204 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CCCC1)C(C)C ZINC000509240423 340264254 /nfs/dbraw/zinc/26/42/54/340264254.db2.gz PIRDUSMUFBNDEB-QGZVFWFLSA-N 0 3 307.482 3.269 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510597314 340303549 /nfs/dbraw/zinc/30/35/49/340303549.db2.gz LMJZEITWAQGTAS-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCN(CC(=O)NC(C1CC1)C1CC1)CC1CCCCC1 ZINC000303454319 340326310 /nfs/dbraw/zinc/32/63/10/340326310.db2.gz LRZUHSYOIGZLRC-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C2CCCCC2)CC1 ZINC000176500983 340427939 /nfs/dbraw/zinc/42/79/39/340427939.db2.gz DBYILGGPEGEMNO-OAHLLOKOSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN1CCC(NC(=O)NC2CCC(C(C)C)CC2)CC1 ZINC000177835886 340444249 /nfs/dbraw/zinc/44/42/49/340444249.db2.gz WKMOFQXKMFBGEL-UHFFFAOYSA-N 0 3 307.482 3.151 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000528451416 340719697 /nfs/dbraw/zinc/71/96/97/340719697.db2.gz YJWGZKXVOLHTII-JKSUJKDBSA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc(C(F)F)c2F)CC1 ZINC000528449585 340719704 /nfs/dbraw/zinc/71/97/04/340719704.db2.gz OESPNKKOXYWHEE-UHFFFAOYSA-N 0 3 312.335 3.144 20 30 DGEDHN C=CCNC(=O)CN[C@H](Cc1ccc(C)cc1)c1ccc(C)cc1 ZINC000539681223 340895763 /nfs/dbraw/zinc/89/57/63/340895763.db2.gz BOAFILDFEVOFKH-HXUWFJFHSA-N 0 3 322.452 3.479 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC[C@H](C#N)CCC#N)cc1 ZINC000564281022 341094149 /nfs/dbraw/zinc/09/41/49/341094149.db2.gz SAOUVAREGFFIBP-WDSOQIARSA-N 0 3 311.429 3.496 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C(C)(C)C2)CC1 ZINC000546144163 341154749 /nfs/dbraw/zinc/15/47/49/341154749.db2.gz WBPYZSKISQMCOS-HNNXBMFYSA-N 0 3 307.482 3.105 20 30 DGEDHN CC(C)C[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000074994485 341159291 /nfs/dbraw/zinc/15/92/91/341159291.db2.gz JCMOOAZVLFRPRG-JKSUJKDBSA-N 0 3 305.466 3.086 20 30 DGEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000546931325 341187131 /nfs/dbraw/zinc/18/71/31/341187131.db2.gz PJKXKIZSLDQAJQ-BXWFABGCSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C(C)COc1cc(CNCCc2cscn2)ccc1OC ZINC000076331563 341205770 /nfs/dbraw/zinc/20/57/70/341205770.db2.gz KDKVWKOVVLTPJQ-UHFFFAOYSA-N 0 3 318.442 3.439 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H](CO)C(C)(C)C ZINC000134435331 341215163 /nfs/dbraw/zinc/21/51/63/341215163.db2.gz PPXLLAWQEPMADZ-OAHLLOKOSA-N 0 3 313.363 3.396 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000547976267 341241552 /nfs/dbraw/zinc/24/15/52/341241552.db2.gz QBFBITOHEZOGBE-FUHWJXTLSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000079269504 341256107 /nfs/dbraw/zinc/25/61/07/341256107.db2.gz IXWBVDORPYFDET-QGZVFWFLSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000079310915 341256478 /nfs/dbraw/zinc/25/64/78/341256478.db2.gz NSIKLYOUWSTJAU-GOSISDBHSA-N 0 3 313.445 3.207 20 30 DGEDHN CC(C)CC[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247679305 341368893 /nfs/dbraw/zinc/36/88/93/341368893.db2.gz ZMDVNVOEOGTLLY-SJLPKXTDSA-N 0 3 305.466 3.086 20 30 DGEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000247751219 341370054 /nfs/dbraw/zinc/37/00/54/341370054.db2.gz ZCAYBAJXTPTYCF-LSDHHAIUSA-N 0 3 319.424 3.439 20 30 DGEDHN CC[C@@H](C)N(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000249515916 341398563 /nfs/dbraw/zinc/39/85/63/341398563.db2.gz DDVBJWROVWXKTB-DNVCBOLYSA-N 0 3 313.445 3.096 20 30 DGEDHN COC(=O)c1cc([C@@H](C)N2CCC(CCC#N)CC2)oc1C ZINC000566173240 341549760 /nfs/dbraw/zinc/54/97/60/341549760.db2.gz JUZQVNMXRYCVGO-GFCCVEGCSA-N 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XFZALPFAGMYDHC-PBHICJAKSA-N 0 3 319.445 3.376 20 30 DGEDHN Fc1ccc(CNCCOC(F)(F)F)cc1C(F)(F)F ZINC000353194452 534464742 /nfs/dbraw/zinc/46/47/42/534464742.db2.gz SAGOUVZMLONOAE-UHFFFAOYSA-N 0 3 305.193 3.471 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470184824 534514276 /nfs/dbraw/zinc/51/42/76/534514276.db2.gz XRPCUQUMKZRMMO-QFBILLFUSA-N 0 3 312.457 3.479 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000489476262 534557866 /nfs/dbraw/zinc/55/78/66/534557866.db2.gz NDJOSISFPLHMHS-QWFCFKBJSA-N 0 3 315.457 3.482 20 30 DGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000489491108 534557959 /nfs/dbraw/zinc/55/79/59/534557959.db2.gz BSQPMVQAYVQACN-CQSZACIVSA-N 0 3 317.389 3.272 20 30 DGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458216386 534560208 /nfs/dbraw/zinc/56/02/08/534560208.db2.gz FYMYXFBSZBLGBM-UHFFFAOYSA-N 0 3 306.475 3.407 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000449549315 534573408 /nfs/dbraw/zinc/57/34/08/534573408.db2.gz WQUXKCRVXSIZCA-QRVBRYPASA-N 0 3 317.429 3.068 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC(F)(F)F)cc1 ZINC000449548202 534574063 /nfs/dbraw/zinc/57/40/63/534574063.db2.gz LPNILLXBRVYXPW-CABCVRRESA-N 0 3 315.335 3.451 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OC)c1Cl ZINC000449546812 534574166 /nfs/dbraw/zinc/57/41/66/534574166.db2.gz DXNPXIAODQKRJV-OLZOCXBDSA-N 0 3 311.809 3.180 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC(C)C)c(OC)c1 ZINC000449546810 534574227 /nfs/dbraw/zinc/57/42/27/534574227.db2.gz DXEIPXWWPYBVOO-CVEARBPZSA-N 0 3 305.418 3.306 20 30 DGEDHN Cc1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331301638 534570603 /nfs/dbraw/zinc/57/06/03/534570603.db2.gz RMJTTXMVPVCZEU-UHFFFAOYSA-N 0 3 319.405 3.330 20 30 DGEDHN C=CCC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CCCC1 ZINC000459050476 534598558 /nfs/dbraw/zinc/59/85/58/534598558.db2.gz NFJLRAVLSRVZRU-HOTGVXAUSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000449697295 534791534 /nfs/dbraw/zinc/79/15/34/534791534.db2.gz KKWMLKUXIWEUNL-ZDUSSCGKSA-N 0 3 313.825 3.164 20 30 DGEDHN Cc1cccc([C@H]2CCCN2CCOc2cccc(C#N)c2)n1 ZINC000160418755 524894561 /nfs/dbraw/zinc/89/45/61/524894561.db2.gz SUJRPLNJWUFQBM-LJQANCHMSA-N 0 3 307.397 3.478 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(C#N)cc1)CCc1ccco1 ZINC000352721313 526273195 /nfs/dbraw/zinc/27/31/95/526273195.db2.gz RMDIRTUFCPFSCP-UHFFFAOYSA-N 0 3 323.396 3.211 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000130116575 526355745 /nfs/dbraw/zinc/35/57/45/526355745.db2.gz YUROTDKCDGUNNY-DOTOQJQBSA-N 0 3 313.445 3.009 20 30 DGEDHN CNC(=O)c1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000331306022 526408281 /nfs/dbraw/zinc/40/82/81/526408281.db2.gz VFJGXPIITOMZDL-UHFFFAOYSA-N 0 3 317.433 3.048 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC000282998869 526442646 /nfs/dbraw/zinc/44/26/46/526442646.db2.gz LZYZWNYEBUBKCZ-UHFFFAOYSA-N 0 3 320.462 3.183 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000176285408 526443872 /nfs/dbraw/zinc/44/38/72/526443872.db2.gz FCMCPEIDXPIUSO-NSHDSACASA-N 0 3 312.866 3.272 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000181380585 526493178 /nfs/dbraw/zinc/49/31/78/526493178.db2.gz HDTAAZULIDSVJW-AEFFLSMTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343584794 526549170 /nfs/dbraw/zinc/54/91/70/526549170.db2.gz BYEUTDUIPWXKIH-PQUAAJSLSA-N 0 3 305.466 3.204 20 30 DGEDHN C=C(C)CN(CCCc1cnccc1C)Cc1ccc(CO)o1 ZINC000348649837 526550418 /nfs/dbraw/zinc/55/04/18/526550418.db2.gz SQTGQRAXGMAEAI-UHFFFAOYSA-N 0 3 314.429 3.486 20 30 DGEDHN C=C(C)CN(CCn1c(C)csc1=O)Cc1ccccc1 ZINC000348204572 526553201 /nfs/dbraw/zinc/55/32/01/526553201.db2.gz HFLWULWDCAJTQP-UHFFFAOYSA-N 0 3 302.443 3.297 20 30 DGEDHN C=C(C)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000428111534 526616489 /nfs/dbraw/zinc/61/64/89/526616489.db2.gz OFJQROUEOUMZBB-OAHLLOKOSA-N 0 3 321.490 3.396 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000351148540 526633137 /nfs/dbraw/zinc/63/31/37/526633137.db2.gz SVIHXGOPJGRKDB-GJZGRUSLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)CC2(C)C)ccc1OC ZINC000353710960 526660353 /nfs/dbraw/zinc/66/03/53/526660353.db2.gz UMRNAPZMKXHEIV-UHFFFAOYSA-N 0 3 318.461 3.176 20 30 DGEDHN C#CCC(C)(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000185586189 526664997 /nfs/dbraw/zinc/66/49/97/526664997.db2.gz UQVCSKSWAACIRS-MRXNPFEDSA-N 0 3 312.457 3.378 20 30 DGEDHN C#CCCCC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000192176819 526684307 /nfs/dbraw/zinc/68/43/07/526684307.db2.gz DJQUJEVSBZTZGZ-UHFFFAOYSA-N 0 3 314.429 3.293 20 30 DGEDHN N#Cc1cccc(CNC[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000181095577 526707641 /nfs/dbraw/zinc/70/76/41/526707641.db2.gz CNKIQVCTVQOWQB-QGZVFWFLSA-N 0 3 300.402 3.114 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(CCC)CCN1CCCCC1)OCC ZINC000342802339 526740612 /nfs/dbraw/zinc/74/06/12/526740612.db2.gz LEGNUZMGZYHYJQ-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=CCOCCCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000347960162 526753711 /nfs/dbraw/zinc/75/37/11/526753711.db2.gz FGDJSANVZAZJGW-MRXNPFEDSA-N 0 3 305.418 3.433 20 30 DGEDHN C=CCOCCCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000348222559 526754435 /nfs/dbraw/zinc/75/44/35/526754435.db2.gz FICAZNZMEFNLQR-KRWDZBQOSA-N 0 3 307.409 3.399 20 30 DGEDHN C=CCOCCNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000339029701 526781777 /nfs/dbraw/zinc/78/17/77/526781777.db2.gz RRWOGJXMRNKIGW-UHFFFAOYSA-N 0 3 303.402 3.019 20 30 DGEDHN C=CCOc1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000344603198 526836874 /nfs/dbraw/zinc/83/68/74/526836874.db2.gz IYNHIFRORAFKAC-HNNXBMFYSA-N 0 3 316.445 3.054 20 30 DGEDHN C=C(CC)CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000429040235 526861860 /nfs/dbraw/zinc/86/18/60/526861860.db2.gz KUZYIFFNGGDXCR-CYBMUJFWSA-N 0 3 302.187 3.177 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1OC ZINC000443784108 526871386 /nfs/dbraw/zinc/87/13/86/526871386.db2.gz RZUVYUUZEFSSIY-YQQAZPJKSA-N 0 3 319.445 3.241 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)cc1 ZINC000353892003 526888792 /nfs/dbraw/zinc/88/87/92/526888792.db2.gz YZTCSZVECVCURQ-GUDVDZBRSA-N 0 3 317.429 3.068 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](CO)CC2CCCC2)cc1OC ZINC000337801953 526889327 /nfs/dbraw/zinc/88/93/27/526889327.db2.gz IUNBTIDGRABLCR-QGZVFWFLSA-N 0 3 319.445 3.291 20 30 DGEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2c2cccnc2)cc1 ZINC000343403902 526889438 /nfs/dbraw/zinc/88/94/38/526889438.db2.gz YNDBMWSKIOBUSR-MOPGFXCFSA-N 0 3 310.397 3.266 20 30 DGEDHN C=CCOc1cccc(CN2CCC(OCCCOC)CC2)c1 ZINC000129106304 526897419 /nfs/dbraw/zinc/89/74/19/526897419.db2.gz KBGICFWCPOHEFR-UHFFFAOYSA-N 0 3 319.445 3.269 20 30 DGEDHN C=C1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000342187667 526902588 /nfs/dbraw/zinc/90/25/88/526902588.db2.gz WGURFTLSFAUDEO-YOEHRIQHSA-N 0 3 309.837 3.431 20 30 DGEDHN C=CCOc1ccccc1CN[C@H](C)CC(=O)OC(C)(C)C ZINC000344224384 526951857 /nfs/dbraw/zinc/95/18/57/526951857.db2.gz UWRWOTJOMXRVHP-CQSZACIVSA-N 0 3 305.418 3.461 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000348161979 526981664 /nfs/dbraw/zinc/98/16/64/526981664.db2.gz BQXVRIJUPJWMQR-WUJZJPHMSA-N 0 3 317.477 3.204 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000342122778 526997151 /nfs/dbraw/zinc/99/71/51/526997151.db2.gz GLBOVUKDIFVFDF-UHFFFAOYSA-N 0 3 316.445 3.184 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000346322398 527008403 /nfs/dbraw/zinc/00/84/03/527008403.db2.gz ORJVDGDXBDGFSD-SFHVURJKSA-N 0 3 316.470 3.133 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCC1(N(C)C)CCC1 ZINC000353376738 527008765 /nfs/dbraw/zinc/00/87/65/527008765.db2.gz DPLGQAMQSVEXOC-UHFFFAOYSA-N 0 3 304.459 3.179 20 30 DGEDHN C=CCC(C)(C)CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000432663877 527009561 /nfs/dbraw/zinc/00/95/61/527009561.db2.gz CCKBIXRTNVBDFI-UHFFFAOYSA-N 0 3 319.449 3.351 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000427809969 527016447 /nfs/dbraw/zinc/01/64/47/527016447.db2.gz XHOQAVBCOFKMGB-QZTJIDSGSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182099725 527029323 /nfs/dbraw/zinc/02/93/23/527029323.db2.gz MRRYGWQPIPYYLL-INIZCTEOSA-N 0 3 300.446 3.392 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000341315968 527078274 /nfs/dbraw/zinc/07/82/74/527078274.db2.gz UVNPRKAKWYETMW-CYBMUJFWSA-N 0 3 316.357 3.129 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341279422 527078390 /nfs/dbraw/zinc/07/83/90/527078390.db2.gz CEIAMKQBOAHFRJ-CYBMUJFWSA-N 0 3 316.357 3.129 20 30 DGEDHN C=CCCC1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000355964941 527090042 /nfs/dbraw/zinc/09/00/42/527090042.db2.gz BIUQWNFHCGRVFC-MRXNPFEDSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000177777857 527100916 /nfs/dbraw/zinc/10/09/16/527100916.db2.gz DZHSGGVFDLJYRL-UHFFFAOYSA-N 0 3 310.388 3.211 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCCC1(C)C ZINC000445128145 527116978 /nfs/dbraw/zinc/11/69/78/527116978.db2.gz DXYMBPDCEPGHJP-OAGGEKHMSA-N 0 3 307.482 3.245 20 30 DGEDHN C#CCOc1ccccc1CN1CCC(O)(c2ccccc2)CC1 ZINC000185637836 527125702 /nfs/dbraw/zinc/12/57/02/527125702.db2.gz CRFZQMRLXGNNEF-UHFFFAOYSA-N 0 3 321.420 3.182 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](C)c1ncc(C)s1 ZINC000184347518 527128213 /nfs/dbraw/zinc/12/82/13/527128213.db2.gz SFDWHGCSDIRGBP-ZDUSSCGKSA-N 0 3 300.427 3.357 20 30 DGEDHN C=CC[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000352986552 527135353 /nfs/dbraw/zinc/13/53/53/527135353.db2.gz KIGWXBIIVWDAFN-HOCLYGCPSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCSCCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180182592 527151053 /nfs/dbraw/zinc/15/10/53/527151053.db2.gz DYKRUTHQYGUZPC-LLVKDONJSA-N 0 3 307.850 3.244 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C(C)C ZINC000413823429 527214600 /nfs/dbraw/zinc/21/46/00/527214600.db2.gz ACGBAKWIACXCLX-GOSISDBHSA-N 0 3 317.477 3.155 20 30 DGEDHN C=CCCCNCc1cn(-c2ccccc2Br)nn1 ZINC000352860413 527233866 /nfs/dbraw/zinc/23/38/66/527233866.db2.gz BGZBHWOWJZRUEJ-UHFFFAOYSA-N 0 3 321.222 3.086 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000289035626 527438719 /nfs/dbraw/zinc/43/87/19/527438719.db2.gz AEYIKUZBDWZMPT-UHFFFAOYSA-N 0 3 305.425 3.343 20 30 DGEDHN CC(C)(C#N)CCCCN(CCC1CCCCC1)CC(N)=O ZINC000444615194 527461063 /nfs/dbraw/zinc/46/10/63/527461063.db2.gz YUABIEYAKNSHRG-UHFFFAOYSA-N 0 3 307.482 3.464 20 30 DGEDHN CC(C)(C#N)CCCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683693 527462417 /nfs/dbraw/zinc/46/24/17/527462417.db2.gz BBCVBYHJPSPLHW-QWHCGFSZSA-N 0 3 306.372 3.199 20 30 DGEDHN CC(C)(C#N)CCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000347203801 527465993 /nfs/dbraw/zinc/46/59/93/527465993.db2.gz GHDGPLHRQLMBOS-UHFFFAOYSA-N 0 3 304.409 3.135 20 30 DGEDHN C=CCC[C@H](NCC(=O)N[C@@H](C(C)=O)C(C)C)c1ccccc1 ZINC000341940941 527483169 /nfs/dbraw/zinc/48/31/69/527483169.db2.gz HSSRJHOARBSTPA-PKOBYXMFSA-N 0 3 316.445 3.013 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000442806711 527518755 /nfs/dbraw/zinc/51/87/55/527518755.db2.gz CGCGHYRXYQNGGL-LNLFQRSKSA-N 0 3 315.461 3.135 20 30 DGEDHN C=C[C@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000346006384 527561888 /nfs/dbraw/zinc/56/18/88/527561888.db2.gz GGROFXGQJKAMAV-RDJZCZTQSA-N 0 3 303.450 3.017 20 30 DGEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338052334 527563348 /nfs/dbraw/zinc/56/33/48/527563348.db2.gz UGQWWPJOWQMUML-DOTOQJQBSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000441298693 527595763 /nfs/dbraw/zinc/59/57/63/527595763.db2.gz BOWIFSHTVIHFBJ-DOTOQJQBSA-N 0 3 319.493 3.390 20 30 DGEDHN CCC1(CNC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000343735995 527736113 /nfs/dbraw/zinc/73/61/13/527736113.db2.gz HHILMRAVPZCAQU-KRWDZBQOSA-N 0 3 314.429 3.082 20 30 DGEDHN CCCCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185778586 528551143 /nfs/dbraw/zinc/55/11/43/528551143.db2.gz ZQKSRWUNCSPDOD-SJLPKXTDSA-N 0 3 313.445 3.388 20 30 DGEDHN CCOc1ccc([C@H](NC(=O)C(C)C#N)C(C)C)cc1OCC ZINC000357789609 528609599 /nfs/dbraw/zinc/60/95/99/528609599.db2.gz DKUDCWUXSFHZQP-CXAGYDPISA-N 0 3 318.417 3.457 20 30 DGEDHN CCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1OC(F)F ZINC000349848267 528656595 /nfs/dbraw/zinc/65/65/95/528656595.db2.gz ADHHVUHXXBGLIP-WCQYABFASA-N 0 3 310.344 3.469 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1CCC(C)C ZINC000351668631 528692332 /nfs/dbraw/zinc/69/23/32/528692332.db2.gz BTRXZDHSKAHIDM-SJORKVTESA-N 0 3 307.482 3.285 20 30 DGEDHN CCCn1c(C(=O)C(C#N)c2ccncn2)cc2ccccc21 ZINC000345176228 528810176 /nfs/dbraw/zinc/81/01/76/528810176.db2.gz YQLLQYOHFPSQFL-CQSZACIVSA-N 0 3 304.353 3.331 20 30 DGEDHN CCC(CC)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424107444 528824095 /nfs/dbraw/zinc/82/40/95/528824095.db2.gz ZVDBNUWJXCQGPB-DZGCQCFKSA-N 0 3 307.463 3.363 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)CCc1ccccc1 ZINC000170811044 528850428 /nfs/dbraw/zinc/85/04/28/528850428.db2.gz GVHQXGGFDQJJCC-LJQANCHMSA-N 0 3 315.461 3.042 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000330680836 528996688 /nfs/dbraw/zinc/99/66/88/528996688.db2.gz OHIXCSDKZRBDKC-OAHLLOKOSA-N 0 3 320.433 3.191 20 30 DGEDHN CC[C@@H](NCCCC1(C#N)CCOCC1)c1c(C)noc1C ZINC000337213193 529160542 /nfs/dbraw/zinc/16/05/42/529160542.db2.gz WEGNXVIBTUSSLV-OAHLLOKOSA-N 0 3 305.422 3.433 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000184095567 529300752 /nfs/dbraw/zinc/30/07/52/529300752.db2.gz WOGZQUJHDKGOLX-CYBMUJFWSA-N 0 3 319.836 3.226 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294488038 529349695 /nfs/dbraw/zinc/34/96/95/529349695.db2.gz QQRRIXXQKZEPMW-NVXWUHKLSA-N 0 3 319.474 3.067 20 30 DGEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(C(F)(F)F)c1 ZINC000431449559 529356530 /nfs/dbraw/zinc/35/65/30/529356530.db2.gz NLJITTDPIRHPRN-ZYHUDNBSSA-N 0 3 314.307 3.139 20 30 DGEDHN CC(C)(C)OC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000473070383 534954127 /nfs/dbraw/zinc/95/41/27/534954127.db2.gz DIPSWJYKXJYQLX-ZBFHGGJFSA-N 0 3 300.402 3.424 20 30 DGEDHN COC1(CN2CCN(c3ccccc3C#N)CC2)CCCCC1 ZINC000483143715 536627434 /nfs/dbraw/zinc/62/74/34/536627434.db2.gz ADXKCHNWLJGWEF-UHFFFAOYSA-N 0 3 313.445 3.030 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181055870 546152865 /nfs/dbraw/zinc/15/28/65/546152865.db2.gz PGZGSRNXAUCSSS-QGZVFWFLSA-N 0 3 319.424 3.265 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(C#N)c2)C1 ZINC000220789284 546266126 /nfs/dbraw/zinc/26/61/26/546266126.db2.gz SOUADENKLDJQGU-MRXNPFEDSA-N 0 3 315.417 3.047 20 30 DGEDHN C[C@H](CNC(=O)c1cn(C)nc1C1CCCCC1)N(C)C1CC1 ZINC000328842475 546482220 /nfs/dbraw/zinc/48/22/20/546482220.db2.gz QBZNXSNPSMNBCO-CYBMUJFWSA-N 0 3 318.465 3.255 20 30 DGEDHN CCC#C[C@H](C)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000670093175 547725577 /nfs/dbraw/zinc/72/55/77/547725577.db2.gz ONEKIJIBSRDEQQ-RYGJVYDSSA-N 0 3 312.457 3.365 20 30 DGEDHN COCC#CCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000671708538 547812264 /nfs/dbraw/zinc/81/22/64/547812264.db2.gz ICIDPCOVYCRHOI-OAHLLOKOSA-N 0 3 313.319 3.276 20 30 DGEDHN C=CCN(CCc1nc(C(C)=O)c(C)[nH]1)CCc1ccccc1 ZINC000677478079 548505883 /nfs/dbraw/zinc/50/58/83/548505883.db2.gz LWUAXIYSZIJRSO-UHFFFAOYSA-N 0 3 311.429 3.194 20 30 DGEDHN C=CCN(CCc1nc(C)c(C(C)=O)[nH]1)CCc1ccccc1 ZINC000677478079 548505888 /nfs/dbraw/zinc/50/58/88/548505888.db2.gz LWUAXIYSZIJRSO-UHFFFAOYSA-N 0 3 311.429 3.194 20 30 DGEDHN COCC#CCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000678743670 548756494 /nfs/dbraw/zinc/75/64/94/548756494.db2.gz GTQIIZGDJWTIST-OAHLLOKOSA-N 0 3 317.429 3.317 20 30 DGEDHN COCC#CCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000678748870 548757066 /nfs/dbraw/zinc/75/70/66/548757066.db2.gz HDZRWSZXKMROOL-CYBMUJFWSA-N 0 3 300.427 3.419 20 30 DGEDHN N#CC(C(=O)c1cccc(Oc2nccs2)c1)c1ccncn1 ZINC000680617663 549075837 /nfs/dbraw/zinc/07/58/37/549075837.db2.gz XZVZPKAAGHVXRX-ZDUSSCGKSA-N 0 3 322.349 3.215 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000680996520 549142116 /nfs/dbraw/zinc/14/21/16/549142116.db2.gz ZXFNKORDNUJHIK-DNVCBOLYSA-N 0 3 313.828 3.446 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000681726634 549247009 /nfs/dbraw/zinc/24/70/09/549247009.db2.gz FIHOBVCEDVEXPY-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000681791604 549256425 /nfs/dbraw/zinc/25/64/25/549256425.db2.gz OCSYLQMYAXDVDA-KRWDZBQOSA-N 0 3 301.434 3.089 20 30 DGEDHN C=CCCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000684136523 549583878 /nfs/dbraw/zinc/58/38/78/549583878.db2.gz HWMOCCYITRYMMO-SFHVURJKSA-N 0 3 315.461 3.479 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000684928850 549719317 /nfs/dbraw/zinc/71/93/17/549719317.db2.gz BTOXEOOVVFORHB-QZTJIDSGSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCN1CC[C@H](N(CCc2ccc(F)cc2)CC(C)C)C1=O ZINC000685000365 549732725 /nfs/dbraw/zinc/73/27/25/549732725.db2.gz PMQYVALRTWXPFD-SFHVURJKSA-N 0 3 318.436 3.113 20 30 DGEDHN CC#CCCCc1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000685240913 549742310 /nfs/dbraw/zinc/74/23/10/549742310.db2.gz VIYPOXQLXHPBKN-UHFFFAOYSA-N 0 3 313.401 3.023 20 30 DGEDHN CCO[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417225 574528910 /nfs/dbraw/zinc/52/89/10/574528910.db2.gz NLZRHOQXAPNKOZ-JFGNBEQYSA-N 0 3 304.346 3.037 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@](C)(CC)c2ccccc2)CC1 ZINC000730912402 574538273 /nfs/dbraw/zinc/53/82/73/574538273.db2.gz UZSVXQQCLXQIQJ-LJQANCHMSA-N 0 3 315.461 3.261 20 30 DGEDHN C[C@@H](N[C@H](C)c1csc2ccccc21)C(=O)N(C)CCC#N ZINC000732918417 574587453 /nfs/dbraw/zinc/58/74/53/574587453.db2.gz LJBHCRGOQFKJRX-CHWSQXEVSA-N 0 3 315.442 3.312 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(Cl)n1)C(C)C ZINC000733161569 574600505 /nfs/dbraw/zinc/60/05/05/574600505.db2.gz MRAOKWJNPZXESL-OAHLLOKOSA-N 0 3 321.852 3.163 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000733199884 574607083 /nfs/dbraw/zinc/60/70/83/574607083.db2.gz WNQFCKROFJSJAD-ZDUSSCGKSA-N 0 3 313.426 3.204 20 30 DGEDHN C#CCOc1ccc(CNCCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000733325092 574615982 /nfs/dbraw/zinc/61/59/82/574615982.db2.gz WVBHBGLHSJQAEU-QFBILLFUSA-N 0 3 301.430 3.384 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@@H]1CCCN1Cc1ccccc1 ZINC000734096885 574650843 /nfs/dbraw/zinc/65/08/43/574650843.db2.gz SADRYGYUQBORCS-JPOGYNCRSA-N 0 3 324.424 3.484 20 30 DGEDHN C#CCCN1CCC(NC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC000740736283 574940791 /nfs/dbraw/zinc/94/07/91/574940791.db2.gz MPXIAKBZMCASJZ-IBGZPJMESA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000740736908 574940898 /nfs/dbraw/zinc/94/08/98/574940898.db2.gz RJJLYFOHJCERNX-UHFFFAOYSA-N 0 3 312.438 3.119 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2sccc2C(C)C)CC1 ZINC000740738342 574941023 /nfs/dbraw/zinc/94/10/23/574941023.db2.gz AGIVVWHJIWOZNQ-UHFFFAOYSA-N 0 3 304.459 3.089 20 30 DGEDHN CCCCCCCCCCN1CCCN(S(C)(=O)=O)CC1 ZINC000740874407 574944488 /nfs/dbraw/zinc/94/44/88/574944488.db2.gz JKEUDYUOOVXMNE-UHFFFAOYSA-N 0 3 318.527 3.094 20 30 DGEDHN N#Cc1cccc(CNC[C@H](O)c2c(F)cccc2Cl)c1 ZINC000741257832 574954634 /nfs/dbraw/zinc/95/46/34/574954634.db2.gz ZQOUXSDNOKWMIC-HNNXBMFYSA-N 0 3 304.752 3.174 20 30 DGEDHN CCOc1ccc(CNCc2cc(C#N)ccc2F)c(O)c1 ZINC000742381965 574994560 /nfs/dbraw/zinc/99/45/60/574994560.db2.gz UZWOOVNSSPBRSE-UHFFFAOYSA-N 0 3 300.333 3.091 20 30 DGEDHN C#CCCCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000742385082 574995288 /nfs/dbraw/zinc/99/52/88/574995288.db2.gz IJVNOMLFUAUDRS-UHFFFAOYSA-N 0 3 314.341 3.366 20 30 DGEDHN CC(=NNCc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000743526056 575055399 /nfs/dbraw/zinc/05/53/99/575055399.db2.gz NMZLLHRNDJJREU-UHFFFAOYSA-N 0 3 311.429 3.141 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CN(C)C1CCC1 ZINC000743853165 575065849 /nfs/dbraw/zinc/06/58/49/575065849.db2.gz VTZWVWGNPPADDF-UHFFFAOYSA-N 0 3 312.866 3.400 20 30 DGEDHN C#CCN(C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)C1CCCCC1 ZINC000744843241 575360068 /nfs/dbraw/zinc/36/00/68/575360068.db2.gz BIUZZEZEAPMTOR-SJORKVTESA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCN(C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C1CCCCC1 ZINC000744857179 575361290 /nfs/dbraw/zinc/36/12/90/575361290.db2.gz ICXBSNHCOLPMNK-IAGOWNOFSA-N 0 3 319.493 3.084 20 30 DGEDHN COc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1C#N ZINC000746733881 575472752 /nfs/dbraw/zinc/47/27/52/575472752.db2.gz KOJVQKHWLUSZFP-GQCTYLIASA-N 0 3 323.352 3.278 20 30 DGEDHN Cc1ccc(C)c(CON=C(N)c2ccc(CN(C)C)cc2)c1 ZINC000747838793 575545467 /nfs/dbraw/zinc/54/54/67/575545467.db2.gz LETSXQWHHMKWDE-UHFFFAOYSA-N 0 3 311.429 3.202 20 30 DGEDHN COC(=O)/C(C)=C\CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000748817606 575609509 /nfs/dbraw/zinc/60/95/09/575609509.db2.gz ZBLXPUVDNQYRGT-DHDCSXOGSA-N 0 3 300.402 3.136 20 30 DGEDHN C#CCOc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000749248732 575638631 /nfs/dbraw/zinc/63/86/31/575638631.db2.gz XVORELAHXQTVPU-SFHVURJKSA-N 0 3 312.413 3.044 20 30 DGEDHN CC1(C)CCC[C@@H]1N(CC(=O)NCCC#N)Cc1ccccc1 ZINC000750063372 575701411 /nfs/dbraw/zinc/70/14/11/575701411.db2.gz VDMNRHIZOXYYQM-KRWDZBQOSA-N 0 3 313.445 3.097 20 30 DGEDHN C#CCCN1CCC(NC(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000751993030 575816934 /nfs/dbraw/zinc/81/69/34/575816934.db2.gz PHFWZUSBGTZEFR-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000725853806 575933236 /nfs/dbraw/zinc/93/32/36/575933236.db2.gz XEQFJUBMZXXVGZ-UHFFFAOYSA-N 0 3 321.424 3.261 20 30 DGEDHN COCCON=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000748789548 576084164 /nfs/dbraw/zinc/08/41/64/576084164.db2.gz KKCPUXDDELCKSM-UHFFFAOYSA-N 0 3 320.433 3.068 20 30 DGEDHN C[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916622575 620639783 /nfs/dbraw/zinc/63/97/83/620639783.db2.gz AQDHOCRITMOCSB-CHWSQXEVSA-N 0 3 313.426 3.347 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(OCc2ccccn2)cc1 ZINC000852751996 620646120 /nfs/dbraw/zinc/64/61/20/620646120.db2.gz QUHUZWCXIQGHRT-UHFFFAOYSA-N 0 3 324.424 3.132 20 30 DGEDHN CO[C@H](C(=O)C(C#N)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000916844417 620647438 /nfs/dbraw/zinc/64/74/38/620647438.db2.gz HNBHESTUDYEWBZ-DYVFJYSZSA-N 0 3 305.337 3.127 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccccc1F)[C@@H]1CCc2ccccc21 ZINC000917117428 620657262 /nfs/dbraw/zinc/65/72/62/620657262.db2.gz KEUFGBQHOFNBQM-WOJBJXKFSA-N 0 3 309.384 3.482 20 30 DGEDHN C[C@@H](NN=Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000853293845 620684619 /nfs/dbraw/zinc/68/46/19/620684619.db2.gz UUWALBWBZAMMDM-MRXNPFEDSA-N 0 3 323.440 3.332 20 30 DGEDHN C#Cc1cccnc1NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000853454007 620696319 /nfs/dbraw/zinc/69/63/19/620696319.db2.gz KCRNQJXFXNTWEO-OAHLLOKOSA-N 0 3 306.413 3.095 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@H](Cc2ccccc2)C1=O ZINC000853598434 620714371 /nfs/dbraw/zinc/71/43/71/620714371.db2.gz RALXOWHVUFIVPS-QRVBRYPASA-N 0 3 310.441 3.218 20 30 DGEDHN C#Cc1cccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000111717931 620750738 /nfs/dbraw/zinc/75/07/38/620750738.db2.gz RJWJGBBXGCJPAD-INIZCTEOSA-N 0 3 321.424 3.310 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000920115935 620785457 /nfs/dbraw/zinc/78/54/57/620785457.db2.gz PUKQCOQBRUXWCA-ZIAGYGMSSA-N 0 3 322.368 3.469 20 30 DGEDHN C[C@@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000112148874 620794355 /nfs/dbraw/zinc/79/43/55/620794355.db2.gz ATASVHVUONETSM-WMLDXEAASA-N 0 3 312.413 3.023 20 30 DGEDHN C#C[C@@H](NCc1ccc(Br)cc1NC(C)=O)C(C)C ZINC000894388043 618301887 /nfs/dbraw/zinc/30/18/87/618301887.db2.gz ZEUDLYYXBLDAAZ-CQSZACIVSA-N 0 3 323.234 3.155 20 30 DGEDHN C=CC(C)(C)CNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000894714218 618430298 /nfs/dbraw/zinc/43/02/98/618430298.db2.gz GRLXEWUODXMAFN-UHFFFAOYSA-N 0 3 308.426 3.069 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC#Cc2ccccc2)[C@@H]1n1cccn1 ZINC000894758580 618448456 /nfs/dbraw/zinc/44/84/56/618448456.db2.gz KEVFSAWVYZORED-QRVBRYPASA-N 0 3 323.440 3.022 20 30 DGEDHN C#C[C@@H](NCCC[C@@H]1CCO1)c1ccc(Br)cc1 ZINC000894871002 618484201 /nfs/dbraw/zinc/48/42/01/618484201.db2.gz RHSSXKDSYIUIIT-HUUCEWRRSA-N 0 3 308.219 3.282 20 30 DGEDHN COC(=O)c1c[nH]c(CNCc2ccc(CC#N)cc2)c1C1CC1 ZINC000895091075 618535267 /nfs/dbraw/zinc/53/52/67/618535267.db2.gz SONLURMQZZUKJS-UHFFFAOYSA-N 0 3 323.396 3.035 20 30 DGEDHN CC[C@@H](CC#N)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893605717 618614703 /nfs/dbraw/zinc/61/47/03/618614703.db2.gz IFVFQIHXXACGDS-WMLDXEAASA-N 0 3 309.454 3.305 20 30 DGEDHN CN(Cc1ccccc1)C[C@H](OC(=O)c1ccc(C#N)o1)C1CC1 ZINC000893697690 618641727 /nfs/dbraw/zinc/64/17/27/618641727.db2.gz RYEJLZKBUAKWSU-SFHVURJKSA-N 0 3 324.380 3.219 20 30 DGEDHN N#Cc1cnc(Cl)c(CN2CCC3(CCCCO3)CC2)c1 ZINC000895654315 618812621 /nfs/dbraw/zinc/81/26/21/618812621.db2.gz POEYJPUTXSJDQO-UHFFFAOYSA-N 0 3 305.809 3.142 20 30 DGEDHN C#CCC1(O)CCN(Cc2cc3ccccc3cc2OC)CC1 ZINC000895670913 618816176 /nfs/dbraw/zinc/81/61/76/618816176.db2.gz XIKFJOFIFJZWGO-UHFFFAOYSA-N 0 3 309.409 3.199 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@H]1C[C@]1(C)Br ZINC000895785010 618830453 /nfs/dbraw/zinc/83/04/53/618830453.db2.gz AXQPWEBOZXXXKX-CABCVRRESA-N 0 3 307.235 3.206 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000895834025 618839789 /nfs/dbraw/zinc/83/97/89/618839789.db2.gz HBZYHKQTQHFAGQ-INIZCTEOSA-N 0 3 319.445 3.003 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000895835988 618840412 /nfs/dbraw/zinc/84/04/12/618840412.db2.gz SXUPBKPIEHYOMT-UHFFFAOYSA-N 0 3 311.372 3.234 20 30 DGEDHN CN(CCc1ccc2c(c1)OCO2)Cc1cc(C#N)cs1 ZINC000895884226 618845340 /nfs/dbraw/zinc/84/53/40/618845340.db2.gz MWQJSHBXUZCFEP-UHFFFAOYSA-N 0 3 300.383 3.023 20 30 DGEDHN COc1ccc(C2=NO[C@@H](CN[C@@H](C)CC(C)(C)C#N)C2)cc1 ZINC000895979051 618857217 /nfs/dbraw/zinc/85/72/17/618857217.db2.gz YELXPZDKWMBFAT-XJKSGUPXSA-N 0 3 315.417 3.106 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000896992787 618997920 /nfs/dbraw/zinc/99/79/20/618997920.db2.gz JELVNBGXUCVKND-HXUWFJFHSA-N 0 3 318.420 3.014 20 30 DGEDHN C=CCOc1cccc(CN2CCC(O)(C3CCC3)CC2)c1 ZINC000897033107 619003699 /nfs/dbraw/zinc/00/36/99/619003699.db2.gz ANMHTSGJGWAFFU-UHFFFAOYSA-N 0 3 301.430 3.378 20 30 DGEDHN Cc1ccc2cc(CN3CCC4(CC3)CC(=O)C=CO4)ccc2n1 ZINC000897602235 619165683 /nfs/dbraw/zinc/16/56/83/619165683.db2.gz KJEOAVFWEJARHO-UHFFFAOYSA-N 0 3 322.408 3.381 20 30 DGEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NCc2nc(C#N)cs2)cc1 ZINC000897625616 619168557 /nfs/dbraw/zinc/16/85/57/619168557.db2.gz HGPYCBROSCWZGN-IUIKQTSFSA-N 0 3 313.426 3.305 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)cc1 ZINC000897731038 619179996 /nfs/dbraw/zinc/17/99/96/619179996.db2.gz VYAIESMVCFIEKX-WMLDXEAASA-N 0 3 310.397 3.120 20 30 DGEDHN C=CCOc1ccccc1CNCCOC1CCSCC1 ZINC000898442516 619276484 /nfs/dbraw/zinc/27/64/84/619276484.db2.gz OJSBJUKIZGHORA-UHFFFAOYSA-N 0 3 307.459 3.253 20 30 DGEDHN CC[C@@H](NCCNc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000927166384 619310972 /nfs/dbraw/zinc/31/09/72/619310972.db2.gz WCJYJVZXCAAOOX-MRXNPFEDSA-N 0 3 316.355 3.384 20 30 DGEDHN C=CCCCN(CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902668686 619662897 /nfs/dbraw/zinc/66/28/97/619662897.db2.gz CYSKYUMIIRRUKU-UHFFFAOYSA-N 0 3 315.377 3.099 20 30 DGEDHN CCN(CCN[C@H](C)c1cc(C#N)ccn1)c1cccc(C)c1 ZINC000902727020 619666391 /nfs/dbraw/zinc/66/63/91/619666391.db2.gz WPMXSOSTCULARX-MRXNPFEDSA-N 0 3 308.429 3.439 20 30 DGEDHN C[C@H](NCCSCc1ccccc1C#N)c1cc(C#N)ccn1 ZINC000902767545 619673024 /nfs/dbraw/zinc/67/30/24/619673024.db2.gz HZSHQZMVFYZZOQ-AWEZNQCLSA-N 0 3 322.437 3.409 20 30 DGEDHN C[C@@H](NCCN1c2ccccc2C[C@H]1C)c1cc(C#N)ccn1 ZINC000902776505 619674111 /nfs/dbraw/zinc/67/41/11/619674111.db2.gz QOWQQTRERBBOMO-HUUCEWRRSA-N 0 3 306.413 3.055 20 30 DGEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902806908 619675949 /nfs/dbraw/zinc/67/59/49/619675949.db2.gz QJWADGVZXPWMDA-NVXWUHKLSA-N 0 3 306.413 3.273 20 30 DGEDHN C[C@@H](NCCc1nc2c(s1)CCCC2)c1cc(C#N)ccn1 ZINC000902866456 619684103 /nfs/dbraw/zinc/68/41/03/619684103.db2.gz GSSWQMHXGAUULD-GFCCVEGCSA-N 0 3 312.442 3.182 20 30 DGEDHN C[C@H](NCCc1cc(C(F)(F)F)ccn1)c1cc(C#N)ccn1 ZINC000903000707 619703479 /nfs/dbraw/zinc/70/34/79/619703479.db2.gz MBTSDMVKSGTLSA-NSHDSACASA-N 0 3 320.318 3.260 20 30 DGEDHN C=CCC[C@@H](NCc1ncccc1OC)[C@@]1(C)CCCCO1 ZINC000903013810 619704429 /nfs/dbraw/zinc/70/44/29/619704429.db2.gz JGKBMNQGGPRHEU-QZTJIDSGSA-N 0 3 304.434 3.474 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)CC(C)(C)C1 ZINC000903220323 619740956 /nfs/dbraw/zinc/74/09/56/619740956.db2.gz LRZGEJTWMGEHMC-CQSZACIVSA-N 0 3 321.465 3.305 20 30 DGEDHN Oc1ccc(Cl)cc1/C=N\[C@@H]1CCCN2CCSC[C@H]12 ZINC000905004041 619964464 /nfs/dbraw/zinc/96/44/64/619964464.db2.gz ZKZVAHRSOWWCTQ-UROMVJDCSA-N 0 3 310.850 3.044 20 30 DGEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)c(OC(F)F)cc1C ZINC000905079890 619968080 /nfs/dbraw/zinc/96/80/80/619968080.db2.gz GNUAJXFZFGOUPX-GWHHBTOMSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C/c2ccccc2CC(F)(F)F)C(=O)c2ncnn21 ZINC000905085843 619968725 /nfs/dbraw/zinc/96/87/25/619968725.db2.gz PMEFFORRHNDMKZ-TXEUWIOXSA-N 0 3 307.275 3.224 20 30 DGEDHN CC(=NNCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000916344312 620626213 /nfs/dbraw/zinc/62/62/13/620626213.db2.gz RMXKXDPBQLVSRM-UHFFFAOYSA-N 0 3 309.413 3.037 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN(C)CCCOC ZINC000921187794 620842342 /nfs/dbraw/zinc/84/23/42/620842342.db2.gz YJJCMMBDYWZGQA-UHFFFAOYSA-N 0 3 305.447 3.240 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CN(C)Cc2ccccc21 ZINC000921937271 620970311 /nfs/dbraw/zinc/97/03/11/620970311.db2.gz ZIKLNRYKLZEIGV-HXUWFJFHSA-N 0 3 305.425 3.451 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CN(C)Cc2ccccc21 ZINC000921937270 620970362 /nfs/dbraw/zinc/97/03/62/620970362.db2.gz ZIKLNRYKLZEIGV-FQEVSTJZSA-N 0 3 305.425 3.451 20 30 DGEDHN C[C@]1(CNCc2csc(C#N)c2)OCCc2sccc21 ZINC000922138693 620993936 /nfs/dbraw/zinc/99/39/36/620993936.db2.gz JTBGNRTZBTZARK-OAHLLOKOSA-N 0 3 304.440 3.259 20 30 DGEDHN COc1cc(CNCc2c(C)cc(C#N)cc2C)ccc1C#N ZINC000922141551 620995000 /nfs/dbraw/zinc/99/50/00/620995000.db2.gz RQRGBBHUAQHUSK-UHFFFAOYSA-N 0 3 305.381 3.345 20 30 DGEDHN C[C@@H](NCc1csc(C#N)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000922153559 620996525 /nfs/dbraw/zinc/99/65/25/620996525.db2.gz NZCASKSJYTVMAO-MNOVXSKESA-N 0 3 309.435 3.011 20 30 DGEDHN C[C@]1(CNCc2cc(C#N)ccc2Br)CC1(F)F ZINC000922251029 621013187 /nfs/dbraw/zinc/01/31/87/621013187.db2.gz RAPURUABYDOYOT-GFCCVEGCSA-N 0 3 315.161 3.456 20 30 DGEDHN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1csc(C#N)c1 ZINC000922318417 621023298 /nfs/dbraw/zinc/02/32/98/621023298.db2.gz TUORNHWUUOYUHX-MRXNPFEDSA-N 0 3 320.845 3.356 20 30 DGEDHN Cn1ncc(CNC(C)(C)Cc2ccc(C#N)cc2)c1Cl ZINC000922603811 621065576 /nfs/dbraw/zinc/06/55/76/621065576.db2.gz NCYSVLYXEFSYJU-UHFFFAOYSA-N 0 3 302.809 3.056 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CCCCC)C(C)(C)C)CC1 ZINC000115119799 621082018 /nfs/dbraw/zinc/08/20/18/621082018.db2.gz HAVAUOHYQGOKIL-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN CC(=O)N(C)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000858250084 621168276 /nfs/dbraw/zinc/16/82/76/621168276.db2.gz AMWDBMYSEBSGOK-UHFFFAOYSA-N 0 3 307.397 3.139 20 30 DGEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C#N ZINC000859231658 621263615 /nfs/dbraw/zinc/26/36/15/621263615.db2.gz MJYOCAILWMNWLK-CQSZACIVSA-N 0 3 319.408 3.236 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000859824520 621331307 /nfs/dbraw/zinc/33/13/07/621331307.db2.gz BCIKVGQTLUTAES-AZKPJATDSA-N 0 3 308.809 3.144 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccc(Cl)cn3)CC2)C1 ZINC000839203486 621351980 /nfs/dbraw/zinc/35/19/80/621351980.db2.gz ZGZRNTQATMUJJX-OCCSQVGLSA-N 0 3 305.809 3.270 20 30 DGEDHN Cc1cc(C)cc([C@@H](O)CN2CCc3c(CC#N)cccc3C2)c1 ZINC000860106390 621367149 /nfs/dbraw/zinc/36/71/49/621367149.db2.gz HOGSZYCOJILMPA-NRFANRHFSA-N 0 3 320.436 3.461 20 30 DGEDHN CN1CCc2cc(C=NNCc3cccc4cccnc43)ccc21 ZINC000752728157 621405972 /nfs/dbraw/zinc/40/59/72/621405972.db2.gz WAVNYNJOJNIPMD-UHFFFAOYSA-N 0 3 316.408 3.351 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1CC(F)(F)C1 ZINC000753803548 621465762 /nfs/dbraw/zinc/46/57/62/621465762.db2.gz URQRBKDZJPVQAA-SECBINFHSA-N 0 3 312.703 3.033 20 30 DGEDHN C=CC[C@H](C(=O)OC[C@@H]1CCCN1CCOC)c1ccccc1 ZINC000861036867 621469546 /nfs/dbraw/zinc/46/95/46/621469546.db2.gz UEENZQLRCPQHNT-ROUUACIJSA-N 0 3 317.429 3.000 20 30 DGEDHN CC(C)N1CC(N=Nc2ncccc2C(F)(F)F)[C@@H](C)C1 ZINC000754256460 621499272 /nfs/dbraw/zinc/49/92/72/621499272.db2.gz BZLPFCFQSLWVRP-JTQLQIEISA-N 0 3 300.328 3.228 20 30 DGEDHN COCC[C@H](NCCCOc1ccc(C#N)cc1)c1ccco1 ZINC000754447876 621511003 /nfs/dbraw/zinc/51/10/03/621511003.db2.gz LPUDPRSNZQSNIW-KRWDZBQOSA-N 0 3 314.385 3.288 20 30 DGEDHN Cc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)s1 ZINC000754660710 621522841 /nfs/dbraw/zinc/52/28/41/621522841.db2.gz FPFPWNVJQMPXEM-CYBMUJFWSA-N 0 3 305.447 3.050 20 30 DGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(OC(F)(F)F)cc1 ZINC000755892810 621600623 /nfs/dbraw/zinc/60/06/23/621600623.db2.gz KKKDTKNLZVEZNR-SNVBAGLBSA-N 0 3 313.323 3.467 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000756099918 621614915 /nfs/dbraw/zinc/61/49/15/621614915.db2.gz GQADHBITYKSPBS-NSHDSACASA-N 0 3 314.223 3.220 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CNCc2cnccc2N(C)C)c1 ZINC000759153812 621830292 /nfs/dbraw/zinc/83/02/92/621830292.db2.gz MNYAGEOCRJBLFH-QGZVFWFLSA-N 0 3 324.428 3.118 20 30 DGEDHN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)C(C#N)c1ccncn1 ZINC000760332558 621932798 /nfs/dbraw/zinc/93/27/98/621932798.db2.gz HCOKNCZODKSCEY-FQLMCAECSA-N 0 3 301.390 3.027 20 30 DGEDHN CC(C)(C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760337660 621933132 /nfs/dbraw/zinc/93/31/32/621933132.db2.gz AWNOTSNTBCIIHJ-CYBMUJFWSA-N 0 3 309.369 3.029 20 30 DGEDHN CC1(c2ccc(CNCc3cccc(C#N)c3)cc2)OCCO1 ZINC000865670324 621975541 /nfs/dbraw/zinc/97/55/41/621975541.db2.gz VFELFDTVGXOZEB-UHFFFAOYSA-N 0 3 308.381 3.068 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000865726318 621984583 /nfs/dbraw/zinc/98/45/83/621984583.db2.gz XGVSCUUBPRDXOL-UHFFFAOYSA-N 0 3 307.393 3.061 20 30 DGEDHN Cc1ccc(N=NC2CN(Cc3ccccc3)C(C)(C)C2)nn1 ZINC000761257476 621997311 /nfs/dbraw/zinc/99/73/11/621997311.db2.gz ABLJKPHJOUYXMU-UHFFFAOYSA-N 0 3 309.417 3.237 20 30 DGEDHN C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866392738 622109771 /nfs/dbraw/zinc/10/97/71/622109771.db2.gz GHTMHCOMFQEWDF-GDBMZVCRSA-N 0 3 313.445 3.036 20 30 DGEDHN C[C@H](NCc1cc2c([nH]c1=O)CCCC2)c1cccc(C#N)c1 ZINC000866641293 622152381 /nfs/dbraw/zinc/15/23/81/622152381.db2.gz QFKZQMNLISKVBT-ZDUSSCGKSA-N 0 3 307.397 3.388 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCc1cc3c([nH]c1=O)CCCC3)CC2 ZINC000866643671 622152761 /nfs/dbraw/zinc/15/27/61/622152761.db2.gz WFUDMGHPQJZGDS-LJQANCHMSA-N 0 3 319.408 3.315 20 30 DGEDHN C#CCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000763949154 622170576 /nfs/dbraw/zinc/17/05/76/622170576.db2.gz HKOYUDQXLCSVLA-QGZVFWFLSA-N 0 3 318.420 3.253 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3Cc4ccccc4C3)nc21 ZINC000763985390 622173113 /nfs/dbraw/zinc/17/31/13/622173113.db2.gz FXHNWQDKCGHUHT-MRXNPFEDSA-N 0 3 315.376 3.463 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3Cc4ccccc4C3)nc21 ZINC000763985387 622173123 /nfs/dbraw/zinc/17/31/23/622173123.db2.gz FXHNWQDKCGHUHT-INIZCTEOSA-N 0 3 315.376 3.463 20 30 DGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765795182 622287931 /nfs/dbraw/zinc/28/79/31/622287931.db2.gz GFNVOYYOVFZKSF-DLBZAZTESA-N 0 3 323.481 3.091 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000765893752 622293207 /nfs/dbraw/zinc/29/32/07/622293207.db2.gz RERNYQZYLLBLHG-AEFFLSMTSA-N 0 3 315.461 3.113 20 30 DGEDHN Brc1ccccc1C=NOCCN1CCCCC1 ZINC000766683070 622346154 /nfs/dbraw/zinc/34/61/54/622346154.db2.gz APCGWHFCSFVTGH-UHFFFAOYSA-N 0 3 311.223 3.286 20 30 DGEDHN Brc1ccc(C=NOCCN2CCCCC2)cc1 ZINC000766686368 622346816 /nfs/dbraw/zinc/34/68/16/622346816.db2.gz ZSONUJXBCBJHFK-UHFFFAOYSA-N 0 3 311.223 3.286 20 30 DGEDHN C#CCCCN1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000766904412 622360403 /nfs/dbraw/zinc/36/04/03/622360403.db2.gz ZJWJWKTUXFKMPD-SFHVURJKSA-N 0 3 306.400 3.447 20 30 DGEDHN Cc1ccc(CCON=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000767931235 622428606 /nfs/dbraw/zinc/42/86/06/622428606.db2.gz PKDHWUIDWXLXCA-UHFFFAOYSA-N 0 3 324.424 3.425 20 30 DGEDHN COC[C@H]1CCCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000767950416 622430118 /nfs/dbraw/zinc/43/01/18/622430118.db2.gz UYMBDUZJRBLLLG-AWEZNQCLSA-N 0 3 322.836 3.491 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769281712 622513505 /nfs/dbraw/zinc/51/35/05/622513505.db2.gz KYBZZECIRIVQQT-HUUCEWRRSA-N 0 3 304.365 3.103 20 30 DGEDHN C#C[C@@H](C)N(C)Cc1cc(Br)cc2cccnc21 ZINC000769961017 622582842 /nfs/dbraw/zinc/58/28/42/622582842.db2.gz LOUCYCQXHUVWCM-LLVKDONJSA-N 0 3 303.203 3.451 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(N(C)C)c(F)c2)n1 ZINC000770091566 622600225 /nfs/dbraw/zinc/60/02/25/622600225.db2.gz BWFGEMXMCCFATF-LLVKDONJSA-N 0 3 303.362 3.147 20 30 DGEDHN CC[C@H](NCc1cccc(C#N)c1)C(=O)N(C)c1ccc(C)cc1 ZINC000871870830 622723506 /nfs/dbraw/zinc/72/35/06/622723506.db2.gz NPEUQIVTCJAMLO-IBGZPJMESA-N 0 3 321.424 3.398 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC(F)(F)F ZINC000771259687 622734352 /nfs/dbraw/zinc/73/43/52/622734352.db2.gz XSALUYHHOMHVFR-SNVBAGLBSA-N 0 3 309.291 3.482 20 30 DGEDHN C=CCN1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872032942 622764033 /nfs/dbraw/zinc/76/40/33/622764033.db2.gz COYDJWDEKMPIHZ-GFCCVEGCSA-N 0 3 307.369 3.035 20 30 DGEDHN CCn1ncc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000872137784 622829606 /nfs/dbraw/zinc/82/96/06/622829606.db2.gz OSCSPTZIXRHFGO-UHFFFAOYSA-N 0 3 323.444 3.160 20 30 DGEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000872140464 622830293 /nfs/dbraw/zinc/83/02/93/622830293.db2.gz NXZQYFBTKFJHLI-DJIMGWMZSA-N 0 3 308.429 3.418 20 30 DGEDHN CSCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000123996178 622856974 /nfs/dbraw/zinc/85/69/74/622856974.db2.gz MRJKOIWNJVAXBB-AWEZNQCLSA-N 0 3 304.415 3.176 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](OC2CCC2)CC1 ZINC000872276641 622878415 /nfs/dbraw/zinc/87/84/15/622878415.db2.gz RVMYVGBEOZMKAL-WMZOPIPTSA-N 0 3 322.493 3.223 20 30 DGEDHN CC(C)(C#N)COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805913741 625607081 /nfs/dbraw/zinc/60/70/81/625607081.db2.gz OZBHBXUADKOPJY-UHFFFAOYSA-N 0 3 314.429 3.382 20 30 DGEDHN CC(C)(C)[C@H](Cn1ccnc1)NCc1ccc(C#N)cc1F ZINC000772918193 622954192 /nfs/dbraw/zinc/95/41/92/622954192.db2.gz HHGGETRJNWOHDJ-INIZCTEOSA-N 0 3 300.381 3.098 20 30 DGEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1c(C)nn(C)c1C ZINC000772959813 622957190 /nfs/dbraw/zinc/95/71/90/622957190.db2.gz ONKWLZKQDAALEC-KRWDZBQOSA-N 0 3 312.417 3.180 20 30 DGEDHN C=CCCC(C)(C)NCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873140067 623047438 /nfs/dbraw/zinc/04/74/38/623047438.db2.gz JKNOJENKOJLAAO-UHFFFAOYSA-N 0 3 314.433 3.169 20 30 DGEDHN C=CCCC[C@@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000773871690 623082051 /nfs/dbraw/zinc/08/20/51/623082051.db2.gz LCOGINAGFKKYDB-CZUORRHYSA-N 0 3 319.376 3.467 20 30 DGEDHN CCOCCON=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000774416216 623141788 /nfs/dbraw/zinc/14/17/88/623141788.db2.gz FNOXTRPKAZWXRC-UHFFFAOYSA-N 0 3 320.433 3.068 20 30 DGEDHN C=CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)CC1CCCCC1 ZINC000774619502 623166439 /nfs/dbraw/zinc/16/64/39/623166439.db2.gz CCKXLUCQINEMMS-UHFFFAOYSA-N 0 3 306.372 3.123 20 30 DGEDHN C=CC[N@H+](CCC[N-]C(=O)C(F)(F)F)CC1CCCCC1 ZINC000774619502 623166440 /nfs/dbraw/zinc/16/64/40/623166440.db2.gz CCKXLUCQINEMMS-UHFFFAOYSA-N 0 3 306.372 3.123 20 30 DGEDHN C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1cccc(C#N)c1 ZINC000775309340 623251417 /nfs/dbraw/zinc/25/14/17/623251417.db2.gz BEOZWDBYUIBHKR-CQSZACIVSA-N 0 3 319.408 3.318 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)COc1cccc(C)c1)c1ccccc1 ZINC000775400787 623268940 /nfs/dbraw/zinc/26/89/40/623268940.db2.gz MPAAPQDFTYLACM-UYAOXDASSA-N 0 3 309.409 3.089 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CC)Cc2cccc(C)c2)CC1 ZINC000874436594 623270257 /nfs/dbraw/zinc/27/02/57/623270257.db2.gz LKMZUVDTNSICGT-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN N#Cc1cccc(C2(NCc3cccc4nsnc43)CC2)c1 ZINC000775432063 623274439 /nfs/dbraw/zinc/27/44/39/623274439.db2.gz XRJOPXOFVGFCCJ-UHFFFAOYSA-N 0 3 306.394 3.342 20 30 DGEDHN C=CCN(C[C@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000775653601 623305053 /nfs/dbraw/zinc/30/50/53/623305053.db2.gz WDZUUEHUTIOJLX-AWEZNQCLSA-N 0 3 314.198 3.272 20 30 DGEDHN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000775981784 623360538 /nfs/dbraw/zinc/36/05/38/623360538.db2.gz MPKWPXHAOPOAIS-KSSFIOAISA-N 0 3 321.465 3.353 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000874834617 623365886 /nfs/dbraw/zinc/36/58/86/623365886.db2.gz UGEYTGACLBUBRZ-GBESFXJTSA-N 0 3 312.457 3.432 20 30 DGEDHN c1ccc(C(CC2CCC2)=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000776188293 623392289 /nfs/dbraw/zinc/39/22/89/623392289.db2.gz YQTFWAWURXMCQJ-CALCHBBNSA-N 0 3 310.445 3.441 20 30 DGEDHN C#CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000776252214 623401509 /nfs/dbraw/zinc/40/15/09/623401509.db2.gz KAEAIZPHWGEODQ-IAGOWNOFSA-N 0 3 314.429 3.350 20 30 DGEDHN CC[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000125353457 623431648 /nfs/dbraw/zinc/43/16/48/623431648.db2.gz BPCOOAAPUSGGTQ-IRXDYDNUSA-N 0 3 313.445 3.362 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1ccc(O)cc1 ZINC000778165538 623618471 /nfs/dbraw/zinc/61/84/71/623618471.db2.gz ROLJAIKLKVOSDU-UHFFFAOYSA-N 0 3 315.800 3.390 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(Cl)cc1Cl ZINC000876549484 623640879 /nfs/dbraw/zinc/64/08/79/623640879.db2.gz QXUQLBATOHPBAJ-LLVKDONJSA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000876556255 623642845 /nfs/dbraw/zinc/64/28/45/623642845.db2.gz KLUWXDRKIRDJAO-LBPRGKRZSA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000876573611 623648962 /nfs/dbraw/zinc/64/89/62/623648962.db2.gz WVJFNQDMDFUMJZ-SECBINFHSA-N 0 3 322.714 3.036 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1OC1CCCC1 ZINC000876584945 623651173 /nfs/dbraw/zinc/65/11/73/623651173.db2.gz UAUJHEQACDKRJB-OAHLLOKOSA-N 0 3 322.836 3.094 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000876590656 623653374 /nfs/dbraw/zinc/65/33/74/623653374.db2.gz ZXWRXMUKHWIZJS-OCCSQVGLSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000876611750 623659293 /nfs/dbraw/zinc/65/92/93/623659293.db2.gz QHXPDFJYHNWGEG-JKSUJKDBSA-N 0 3 306.837 3.437 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1OCCC(C)C ZINC000876630129 623665045 /nfs/dbraw/zinc/66/50/45/623665045.db2.gz RMNQZTZUROFKEL-OAHLLOKOSA-N 0 3 324.852 3.198 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000876638025 623666708 /nfs/dbraw/zinc/66/67/08/623666708.db2.gz ZXSHQHKDRRCINU-HOTGVXAUSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000876641963 623667706 /nfs/dbraw/zinc/66/77/06/623667706.db2.gz WAUHDMJRTIOVFS-LLVKDONJSA-N 0 3 300.761 3.021 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000876656306 623672489 /nfs/dbraw/zinc/67/24/89/623672489.db2.gz KPTVETUSASBDSZ-INIZCTEOSA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000876664398 623674362 /nfs/dbraw/zinc/67/43/62/623674362.db2.gz UVCRQKILMAGRDD-SNVBAGLBSA-N 0 3 304.724 3.005 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000876666960 623675215 /nfs/dbraw/zinc/67/52/15/623675215.db2.gz ZLUMLTFNJHHOKY-LSDHHAIUSA-N 0 3 324.877 3.081 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000876697206 623684676 /nfs/dbraw/zinc/68/46/76/623684676.db2.gz ARVGDJRUOITWER-LLVKDONJSA-N 0 3 305.765 3.114 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2[nH]c(CCCC)nc2c1 ZINC000876727881 623691102 /nfs/dbraw/zinc/69/11/02/623691102.db2.gz USGABVQHSRQGBJ-GFCCVEGCSA-N 0 3 320.824 3.314 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000876734563 623692409 /nfs/dbraw/zinc/69/24/09/623692409.db2.gz HBCDCVDBNXDUBB-OAHLLOKOSA-N 0 3 307.825 3.085 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000876745784 623695770 /nfs/dbraw/zinc/69/57/70/623695770.db2.gz LWMYQKNWVBEZFE-GFCCVEGCSA-N 0 3 318.808 3.239 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)CCCC)cc1 ZINC000876757897 623699241 /nfs/dbraw/zinc/69/92/41/623699241.db2.gz CNLXBQAZIYVNRC-HNNXBMFYSA-N 0 3 309.841 3.331 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000876883608 623735369 /nfs/dbraw/zinc/73/53/69/623735369.db2.gz KUBQDABESIILCH-CFVMTHIKSA-N 0 3 310.800 3.048 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000876889999 623736919 /nfs/dbraw/zinc/73/69/19/623736919.db2.gz UGYRYIDNSPDFBM-JTQLQIEISA-N 0 3 301.843 3.140 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000876909008 623741800 /nfs/dbraw/zinc/74/18/00/623741800.db2.gz VPTDRCRSTGOAPY-HOCLYGCPSA-N 0 3 306.837 3.089 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1c(C)cccc1C ZINC000876958746 623754745 /nfs/dbraw/zinc/75/47/45/623754745.db2.gz BZMDLUSSTOOZKU-HUUCEWRRSA-N 0 3 306.837 3.437 20 30 DGEDHN C=CC(C)(C)CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000876991275 623761174 /nfs/dbraw/zinc/76/11/74/623761174.db2.gz WOSVQITZNBBBCR-ZDUSSCGKSA-N 0 3 309.841 3.152 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC)c(F)c1 ZINC000877087777 623788372 /nfs/dbraw/zinc/78/83/72/623788372.db2.gz RNSONJDCAFMJFP-LBPRGKRZSA-N 0 3 300.761 3.023 20 30 DGEDHN Cc1ccc(N(CC2CC2)C(=O)[C@H](N)CCCCC#N)cc1F ZINC000877088476 623789281 /nfs/dbraw/zinc/78/92/81/623789281.db2.gz DOEOGKFEGPTREW-QGZVFWFLSA-N 0 3 317.408 3.288 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000877098020 623791680 /nfs/dbraw/zinc/79/16/80/623791680.db2.gz IZHNZZSBDKFSEX-ZFWWWQNUSA-N 0 3 307.825 3.028 20 30 DGEDHN CC(C)(C)OC(=O)NCC1(CN2CCC(C)(C#N)CC2)CCC1 ZINC000877182576 623820592 /nfs/dbraw/zinc/82/05/92/623820592.db2.gz OGFZNDXGUQRBSJ-UHFFFAOYSA-N 0 3 321.465 3.307 20 30 DGEDHN CC1(C)CCC[C@](O)(CNCc2cc(C#N)cnc2Cl)C1 ZINC000877461569 623893410 /nfs/dbraw/zinc/89/34/10/623893410.db2.gz IHCGUTQYRSSYCA-MRXNPFEDSA-N 0 3 307.825 3.028 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000877461235 623893447 /nfs/dbraw/zinc/89/34/47/623893447.db2.gz BSMXTURUPOELDH-OAGGEKHMSA-N 0 3 321.465 3.400 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000877463604 623893975 /nfs/dbraw/zinc/89/39/75/623893975.db2.gz HGOHVMMRNYAGNC-IBGZPJMESA-N 0 3 313.445 3.015 20 30 DGEDHN CCN(CC)c1ccc(C=NN[C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000780252176 623895471 /nfs/dbraw/zinc/89/54/71/623895471.db2.gz GQKUPBVENRCWTP-OAHLLOKOSA-N 0 3 319.449 3.120 20 30 DGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000780384328 623919378 /nfs/dbraw/zinc/91/93/78/623919378.db2.gz HBFFNVJSHVWBIE-DFBGVHRSSA-N 0 3 312.335 3.254 20 30 DGEDHN CC(C)(C)OC(=O)NCC(C)(C)CNCC1(C#N)CCCC1 ZINC000877609562 623961424 /nfs/dbraw/zinc/96/14/24/623961424.db2.gz LXMSMABHWLDHEW-UHFFFAOYSA-N 0 3 309.454 3.211 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CC2(Cl)Cl)c1 ZINC000877646313 623976786 /nfs/dbraw/zinc/97/67/86/623976786.db2.gz GKRYPJYIKFRQDG-JTQLQIEISA-N 0 3 304.608 3.280 20 30 DGEDHN C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000781422409 624069164 /nfs/dbraw/zinc/06/91/64/624069164.db2.gz OUBBDQCZSDTMJH-UKRRQHHQSA-N 0 3 318.392 3.424 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H]1CCC2(CCOCC2)O1 ZINC000877916944 624091455 /nfs/dbraw/zinc/09/14/55/624091455.db2.gz MNCPHZUDBKZMDN-GOSISDBHSA-N 0 3 301.430 3.403 20 30 DGEDHN COC(=O)c1ccc(N=NC2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000782237705 624225466 /nfs/dbraw/zinc/22/54/66/624225466.db2.gz HIEKWHRQSGETGE-JTQLQIEISA-N 0 3 321.808 3.151 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CC3(CC#N)CC3)CC[C@H]21 ZINC000878644464 624329317 /nfs/dbraw/zinc/32/93/17/624329317.db2.gz WHDJIWMDVKKRJL-LSDHHAIUSA-N 0 3 319.449 3.012 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000783289306 624335220 /nfs/dbraw/zinc/33/52/20/624335220.db2.gz JUVVLBZXGOMIQO-GOSISDBHSA-N 0 3 321.486 3.417 20 30 DGEDHN C=CCN1CCC(NC(=O)CC[C@@H]2CCc3ccccc32)CC1 ZINC000878751471 624353738 /nfs/dbraw/zinc/35/37/38/624353738.db2.gz YKCLHUJBTGEGIB-KRWDZBQOSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccccc1)C1CCCCC1 ZINC000783532636 624362595 /nfs/dbraw/zinc/36/25/95/624362595.db2.gz SQSGJXWNPCOZTJ-SFHVURJKSA-N 0 3 321.486 3.498 20 30 DGEDHN C(=NNc1cnc2ccccc2n1)c1cc(-n2ccnc2)cs1 ZINC000783839367 624399645 /nfs/dbraw/zinc/39/96/45/624399645.db2.gz ISPGBGUKWKWKQP-UHFFFAOYSA-N 0 3 320.381 3.323 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879560161 624590260 /nfs/dbraw/zinc/59/02/60/624590260.db2.gz RMUQBIVHKKHIPQ-OCCSQVGLSA-N 0 3 322.861 3.427 20 30 DGEDHN CC(C)(C#N)CCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586894 624599664 /nfs/dbraw/zinc/59/96/64/624599664.db2.gz YLCUEDFMRJYDHE-UHFFFAOYSA-N 0 3 310.445 3.400 20 30 DGEDHN CC#CCCN1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000879679513 624638182 /nfs/dbraw/zinc/63/81/82/624638182.db2.gz OUYOVGUQQOTJCT-UHFFFAOYSA-N 0 3 320.458 3.221 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000785453887 624668482 /nfs/dbraw/zinc/66/84/82/624668482.db2.gz OKOFOXDPXMGXAY-IBGZPJMESA-N 0 3 315.461 3.369 20 30 DGEDHN N#CCOc1ccc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC000880189719 624828011 /nfs/dbraw/zinc/82/80/11/624828011.db2.gz QLRVUNAJVWVQHF-OALUTQOASA-N 0 3 319.408 3.052 20 30 DGEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000786308623 624846469 /nfs/dbraw/zinc/84/64/69/624846469.db2.gz QQWTYJCPRXWHFG-HNNXBMFYSA-N 0 3 319.364 3.427 20 30 DGEDHN CC(C)(C#N)CC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000786486378 624893011 /nfs/dbraw/zinc/89/30/11/624893011.db2.gz IURFRWYYOYCOHP-INIZCTEOSA-N 0 3 300.402 3.134 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cc1ccc(C)o1)c1ccccc1 ZINC000787035364 624972968 /nfs/dbraw/zinc/97/29/68/624972968.db2.gz LUHVGJBQOOIBQN-DLBZAZTESA-N 0 3 324.380 3.107 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)Cc1ccc(C)o1)c1ccccc1 ZINC000787035370 624972977 /nfs/dbraw/zinc/97/29/77/624972977.db2.gz LUHVGJBQOOIBQN-IRXDYDNUSA-N 0 3 324.380 3.107 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCC(C)(F)F)c1ccccc1 ZINC000787042055 624974128 /nfs/dbraw/zinc/97/41/28/624974128.db2.gz SBMNQZDDOKPDLC-ZIAGYGMSSA-N 0 3 322.355 3.398 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1)c1ccccc1 ZINC000787048079 624974610 /nfs/dbraw/zinc/97/46/10/624974610.db2.gz ZIRJHSNIRZCWEB-BPUTZDHNSA-N 0 3 324.380 3.359 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCC1 ZINC000787075122 624976704 /nfs/dbraw/zinc/97/67/04/624976704.db2.gz VPEXPLUOJKOLTI-PBHICJAKSA-N 0 3 312.413 3.180 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128733643 625179991 /nfs/dbraw/zinc/17/99/91/625179991.db2.gz SMZPOIJVEGJGOL-HNNXBMFYSA-N 0 3 310.353 3.420 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128733643 625179994 /nfs/dbraw/zinc/17/99/94/625179994.db2.gz SMZPOIJVEGJGOL-HNNXBMFYSA-N 0 3 310.353 3.420 20 30 DGEDHN C[C@@H](NC(=O)Nc1ccc(C2CC2)c(C#N)c1)C1=CCN(C)CC1 ZINC000881123299 625250425 /nfs/dbraw/zinc/25/04/25/625250425.db2.gz XXVAAYFDQXLGKK-CYBMUJFWSA-N 0 3 324.428 3.208 20 30 DGEDHN N#CC(C(=O)CCc1ccccn1)c1nccc2ccccc21 ZINC000792091178 625909198 /nfs/dbraw/zinc/90/91/98/625909198.db2.gz KAIGJFVFGYVMNQ-KRWDZBQOSA-N 0 3 301.349 3.439 20 30 DGEDHN C#CCN(CCc1nc2ccccc2n1C)Cc1ccccc1 ZINC000796634246 626068208 /nfs/dbraw/zinc/06/82/08/626068208.db2.gz ZXLBGLJRVFQLHE-UHFFFAOYSA-N 0 3 303.409 3.251 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000796633777 626068371 /nfs/dbraw/zinc/06/83/71/626068371.db2.gz OYEIMSMYUTWULY-YPMHNXCESA-N 0 3 306.312 3.078 20 30 DGEDHN CCn1nc(C)c(CC(=O)C(C#N)c2nc3ccccc3o2)c1C ZINC000796774540 626080940 /nfs/dbraw/zinc/08/09/40/626080940.db2.gz IPDXFOIDQQYIIM-AWEZNQCLSA-N 0 3 322.368 3.080 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCC(F)F)c1ccccc1 ZINC000796891238 626093431 /nfs/dbraw/zinc/09/34/31/626093431.db2.gz DSQORANRYVFUPM-QWHCGFSZSA-N 0 3 308.328 3.008 20 30 DGEDHN CN(c1ccccc1)c1ccc(C=NNc2ccncc2)cn1 ZINC000797786305 626168648 /nfs/dbraw/zinc/16/86/48/626168648.db2.gz PZEHSJOHTPFNGI-UHFFFAOYSA-N 0 3 303.369 3.112 20 30 DGEDHN CN(c1ccccc1)c1ccc(C=[NH+][N-]c2ccncc2)cn1 ZINC000797786305 626168650 /nfs/dbraw/zinc/16/86/50/626168650.db2.gz PZEHSJOHTPFNGI-UHFFFAOYSA-N 0 3 303.369 3.112 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1occc1Br ZINC000797878113 626176515 /nfs/dbraw/zinc/17/65/15/626176515.db2.gz MTFOGUZENMIQTQ-GWCFXTLKSA-N 0 3 300.196 3.113 20 30 DGEDHN CCCCCCCS(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000799776487 626328417 /nfs/dbraw/zinc/32/84/17/626328417.db2.gz BPCWNTLOUJBKMA-MRXNPFEDSA-N 0 3 318.527 3.093 20 30 DGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000800384455 626355154 /nfs/dbraw/zinc/35/51/54/626355154.db2.gz CGCMAOJSYKRGQH-WFASDCNBSA-N 0 3 302.374 3.169 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000800385137 626355263 /nfs/dbraw/zinc/35/52/63/626355263.db2.gz SJXCDXUMUBYBBG-TZMCWYRMSA-N 0 3 320.339 3.468 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000800385135 626355273 /nfs/dbraw/zinc/35/52/73/626355273.db2.gz SJXCDXUMUBYBBG-JSGCOSHPSA-N 0 3 320.339 3.468 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000800409996 626357650 /nfs/dbraw/zinc/35/76/50/626357650.db2.gz RGZXWXCDGHITQU-IUODEOHRSA-N 0 3 320.820 3.491 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](O)c1cc(C)cc(C)c1 ZINC000800897068 626383625 /nfs/dbraw/zinc/38/36/25/626383625.db2.gz DOUBBZKWZMFFIQ-LJQANCHMSA-N 0 3 309.409 3.139 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000801910991 626425032 /nfs/dbraw/zinc/42/50/32/626425032.db2.gz ZZZVJUMYHREJLK-DZGCQCFKSA-N 0 3 308.809 3.112 20 30 DGEDHN Cc1nc(Cl)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000802032400 626429355 /nfs/dbraw/zinc/42/93/55/626429355.db2.gz QWTLCBZWGLMVGM-GFCCVEGCSA-N 0 3 324.771 3.420 20 30 DGEDHN C=CCCC[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000883203848 626607346 /nfs/dbraw/zinc/60/73/46/626607346.db2.gz MREFVUSJRNAWFH-IAGOWNOFSA-N 0 3 307.459 3.251 20 30 DGEDHN C=CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000807401740 626755648 /nfs/dbraw/zinc/75/56/48/626755648.db2.gz UWLOMOCPPVGMPI-NVXWUHKLSA-N 0 3 303.450 3.284 20 30 DGEDHN C=CCCC[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC000884419198 626877983 /nfs/dbraw/zinc/87/79/83/626877983.db2.gz JYZHQEBNTYRRRZ-BRWVUGGUSA-N 0 3 304.409 3.024 20 30 DGEDHN C#Cc1ccc(CNc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000809596307 626924200 /nfs/dbraw/zinc/92/42/00/626924200.db2.gz BWOZSTQUGGCKCO-UHFFFAOYSA-N 0 3 319.452 3.422 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1(CCF)CC1 ZINC000810531194 627012304 /nfs/dbraw/zinc/01/23/04/627012304.db2.gz JWUUQSIHBQLWKE-SNVBAGLBSA-N 0 3 308.740 3.127 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1(CCF)CC1 ZINC000810531192 627012512 /nfs/dbraw/zinc/01/25/12/627012512.db2.gz JWUUQSIHBQLWKE-JTQLQIEISA-N 0 3 308.740 3.127 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810532956 627013003 /nfs/dbraw/zinc/01/30/03/627013003.db2.gz WYEVJFVFQQUUQY-DZGCQCFKSA-N 0 3 316.426 3.040 20 30 DGEDHN C#Cc1ccccc1CC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000810587973 627019969 /nfs/dbraw/zinc/01/99/69/627019969.db2.gz IIKPNWFFBZDMHA-FQEVSTJZSA-N 0 3 319.404 3.028 20 30 DGEDHN N#CC1(C[C@@H](O)CNC2(c3ccccc3Cl)CC2)CCC1 ZINC000886264468 627127769 /nfs/dbraw/zinc/12/77/69/627127769.db2.gz ZMNVFSBZFRSQOC-CYBMUJFWSA-N 0 3 304.821 3.364 20 30 DGEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000886353729 627141716 /nfs/dbraw/zinc/14/17/16/627141716.db2.gz OEMPBGVNWLDWOV-KGLIPLIRSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CCN(C)CC1 ZINC000886580139 627167185 /nfs/dbraw/zinc/16/71/85/627167185.db2.gz XEOXZMZUSUUVOT-QAQDUYKDSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000886778658 627203692 /nfs/dbraw/zinc/20/36/92/627203692.db2.gz MVMJNEOAVLTKBU-UHFFFAOYSA-N 0 3 309.413 3.047 20 30 DGEDHN C#CCC1(NCc2c(Cl)cccc2OCC)CCOCC1 ZINC000887122074 627226773 /nfs/dbraw/zinc/22/67/73/627226773.db2.gz JWZHSNMKAGNLJO-UHFFFAOYSA-N 0 3 307.821 3.401 20 30 DGEDHN C#CCC1(NCc2cc(-c3ccc(C)cc3)no2)CCOCC1 ZINC000887126168 627227155 /nfs/dbraw/zinc/22/71/55/627227155.db2.gz ZCEFFJGKMWHDHV-UHFFFAOYSA-N 0 3 310.397 3.312 20 30 DGEDHN COc1cccc(O)c1/C=N/[C@@H]1CCN(Cc2ccccc2)C1 ZINC000812396398 627377488 /nfs/dbraw/zinc/37/74/88/627377488.db2.gz RVSRBXWVSMLQHI-DDLUMYACSA-N 0 3 310.397 3.094 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@](C)(OC)C2CC2)c([O-])c1 ZINC000812444456 627386885 /nfs/dbraw/zinc/38/68/85/627386885.db2.gz HGIWLJYANHNPPP-LPGQDOADSA-N 0 3 304.434 3.472 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(OC)C1CC1 ZINC000812771928 627418341 /nfs/dbraw/zinc/41/83/41/627418341.db2.gz DFPNLPDIWPMYQP-QGZVFWFLSA-N 0 3 307.821 3.257 20 30 DGEDHN C#C[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000812793057 627421392 /nfs/dbraw/zinc/42/13/92/627421392.db2.gz MJQWDFWVAAGOGE-OAHLLOKOSA-N 0 3 306.381 3.004 20 30 DGEDHN CC(C)N(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCOC1 ZINC000812862124 627431418 /nfs/dbraw/zinc/43/14/18/627431418.db2.gz OQDUGVVANHJTME-OAHLLOKOSA-N 0 3 308.809 3.242 20 30 DGEDHN CC[C@](C)(OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216041 627468353 /nfs/dbraw/zinc/46/83/53/627468353.db2.gz FHCMNJBNOTVEOQ-GWCFXTLKSA-N 0 3 300.280 3.092 20 30 DGEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813217502 627468548 /nfs/dbraw/zinc/46/85/48/627468548.db2.gz HLFSNJNDKQXFEG-NTZNESFSSA-N 0 3 312.291 3.234 20 30 DGEDHN CC[C@@H](C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218875 627468585 /nfs/dbraw/zinc/46/85/85/627468585.db2.gz UHPQHGYQTOBHDS-MWLCHTKSSA-N 0 3 300.280 3.092 20 30 DGEDHN COc1ccc(C(C)=NOCC2CC2)cc1CN1CCCC1 ZINC000814245115 627553995 /nfs/dbraw/zinc/55/39/95/627553995.db2.gz SBZVJRKSIRBLSQ-UHFFFAOYSA-N 0 3 302.418 3.442 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815010025 627616327 /nfs/dbraw/zinc/61/63/27/627616327.db2.gz OPFLRJLPGRUMMT-QGZVFWFLSA-N 0 3 306.365 3.470 20 30 DGEDHN N#CCCOCCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000815063890 627621475 /nfs/dbraw/zinc/62/14/75/627621475.db2.gz SVKXQNKRSWLYEI-AWEZNQCLSA-N 0 3 315.442 3.406 20 30 DGEDHN N#CCCOCCN(CCc1ccccc1)Cc1cccnc1 ZINC000815103157 627626898 /nfs/dbraw/zinc/62/68/98/627626898.db2.gz QXECYZDWFVUUNS-UHFFFAOYSA-N 0 3 309.413 3.057 20 30 DGEDHN CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1[O-] ZINC000924960667 627698122 /nfs/dbraw/zinc/69/81/22/627698122.db2.gz QPXBUYJFMWDKSU-YJBOKZPZSA-N 0 3 315.461 3.425 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815907573 627711223 /nfs/dbraw/zinc/71/12/23/627711223.db2.gz DVXMPNXVCFIMKC-INIZCTEOSA-N 0 3 323.396 3.370 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000816038680 627729617 /nfs/dbraw/zinc/72/96/17/627729617.db2.gz DGIBYYDXHLFHOZ-XAWIXRBMSA-N 0 3 324.424 3.180 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000816205298 627752298 /nfs/dbraw/zinc/75/22/98/627752298.db2.gz RFVQXZQPEBIAFW-QGZVFWFLSA-N 0 3 322.399 3.369 20 30 DGEDHN CC(C)C[C@H](N[C@@H](C)CC(C)(C)C#N)C(=O)Nc1nccs1 ZINC000925679340 627775520 /nfs/dbraw/zinc/77/55/20/627775520.db2.gz BWSVSRVNAKQGOJ-STQMWFEESA-N 0 3 322.478 3.414 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@]1(C(F)(F)F)CCCN1 ZINC000925859094 627807104 /nfs/dbraw/zinc/80/71/04/627807104.db2.gz ZBXRKMPNFHFXNA-CVEARBPZSA-N 0 3 323.362 3.210 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817281407 627876380 /nfs/dbraw/zinc/87/63/80/627876380.db2.gz KROAIMCIRVOYJQ-ZFWWWQNUSA-N 0 3 312.335 3.256 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCC2(O)CCC2)c([O-])c1 ZINC000817708142 627936519 /nfs/dbraw/zinc/93/65/19/627936519.db2.gz UNBAMOOJFDAKBI-XMHGGMMESA-N 0 3 304.434 3.353 20 30 DGEDHN C#CCN1CCC[C@H](N[C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000926867309 627966481 /nfs/dbraw/zinc/96/64/81/627966481.db2.gz JZJCZRKFLNHXSO-LEWJYISDSA-N 0 3 319.452 3.167 20 30 DGEDHN CCCCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000818106203 627995844 /nfs/dbraw/zinc/99/58/44/627995844.db2.gz XJXQBONEKKZUQU-SJORKVTESA-N 0 3 301.434 3.445 20 30 DGEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(OCC#N)cc1 ZINC000927138642 628024290 /nfs/dbraw/zinc/02/42/90/628024290.db2.gz FRWZKHYRNUBYRG-KPOBHBOGSA-N 0 3 322.408 3.288 20 30 DGEDHN CCOc1ccccc1[C@H](C)NCCNc1ccc(C#N)cn1 ZINC000927164763 628030451 /nfs/dbraw/zinc/03/04/51/628030451.db2.gz MLWCGDVSOCVTDB-AWEZNQCLSA-N 0 3 310.401 3.115 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000818595930 628040460 /nfs/dbraw/zinc/04/04/60/628040460.db2.gz UKKGVXQZNLRCAC-PMACEKPBSA-N 0 3 320.436 3.015 20 30 DGEDHN N#Cc1ccc([C@@H](O)CNCc2ccc(C3CC3)cc2F)cc1 ZINC000819327003 628133742 /nfs/dbraw/zinc/13/37/42/628133742.db2.gz YUOYSJRENSZMQA-IBGZPJMESA-N 0 3 310.372 3.398 20 30 DGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C(F)=C1CCC1 ZINC000819946140 628202507 /nfs/dbraw/zinc/20/25/07/628202507.db2.gz YUFFPOGDEFCJQZ-LBPRGKRZSA-N 0 3 316.332 3.140 20 30 DGEDHN C=C(C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823882945 628606696 /nfs/dbraw/zinc/60/66/96/628606696.db2.gz GTNYYFWAJXMJIA-CQSZACIVSA-N 0 3 305.385 3.231 20 30 DGEDHN C=C(C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882945 628606699 /nfs/dbraw/zinc/60/66/99/628606699.db2.gz GTNYYFWAJXMJIA-CQSZACIVSA-N 0 3 305.385 3.231 20 30 DGEDHN C=CC[C@@H](NCc1cc(C(=O)OCC)c(C)[nH]1)c1ccncc1 ZINC000823887580 628607509 /nfs/dbraw/zinc/60/75/09/628607509.db2.gz KOKKSHANSUDHQS-QGZVFWFLSA-N 0 3 313.401 3.302 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894192 628608051 /nfs/dbraw/zinc/60/80/51/628608051.db2.gz JOZDBQQCHFMJLR-ZDUSSCGKSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894192 628608053 /nfs/dbraw/zinc/60/80/53/628608053.db2.gz JOZDBQQCHFMJLR-ZDUSSCGKSA-N 0 3 315.421 3.100 20 30 DGEDHN CC(C)[N@H+](CCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289145 628647000 /nfs/dbraw/zinc/64/70/00/628647000.db2.gz VXGZTCUADIEFPS-UHFFFAOYSA-N 0 3 312.421 3.017 20 30 DGEDHN CC(C)[N@@H+](CCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289145 628647002 /nfs/dbraw/zinc/64/70/02/628647002.db2.gz VXGZTCUADIEFPS-UHFFFAOYSA-N 0 3 312.421 3.017 20 30 DGEDHN CC(C)[N@H+](CCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824289145 628647007 /nfs/dbraw/zinc/64/70/07/628647007.db2.gz VXGZTCUADIEFPS-UHFFFAOYSA-N 0 3 312.421 3.017 20 30 DGEDHN CC(C)[N@@H+](CCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824289145 628647008 /nfs/dbraw/zinc/64/70/08/628647008.db2.gz VXGZTCUADIEFPS-UHFFFAOYSA-N 0 3 312.421 3.017 20 30 DGEDHN CCC[C@H](CN1CCC(C#N)(C(=O)OC)CC1)c1ccccc1 ZINC000824872856 628701835 /nfs/dbraw/zinc/70/18/35/628701835.db2.gz XMYCMFURNACUQU-QGZVFWFLSA-N 0 3 314.429 3.349 20 30 DGEDHN C#Cc1cnc(NC[C@H](c2ccsc2)N(CC)CC)nc1 ZINC000827389321 628955140 /nfs/dbraw/zinc/95/51/40/628955140.db2.gz GLUNREFZPRLPSG-OAHLLOKOSA-N 0 3 300.431 3.014 20 30 DGEDHN C#C[C@@H](NCc1ccc(OCCC)c(OC)c1)C1CCOCC1 ZINC000827570342 628971930 /nfs/dbraw/zinc/97/19/30/628971930.db2.gz MSXJKPNBTJAKEU-QGZVFWFLSA-N 0 3 317.429 3.002 20 30 DGEDHN C#C[C@H](NCc1ccccc1OC(F)(F)F)C1CCOCC1 ZINC000827569680 628971977 /nfs/dbraw/zinc/97/19/77/628971977.db2.gz CLIUAQLGWFRACH-AWEZNQCLSA-N 0 3 313.319 3.103 20 30 DGEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000829794134 629193422 /nfs/dbraw/zinc/19/34/22/629193422.db2.gz SCDAUDKNOJKDNW-CQSZACIVSA-N 0 3 311.381 3.042 20 30 DGEDHN C#CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000829794134 629193423 /nfs/dbraw/zinc/19/34/23/629193423.db2.gz SCDAUDKNOJKDNW-CQSZACIVSA-N 0 3 311.381 3.042 20 30 DGEDHN C#CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000830316065 629252110 /nfs/dbraw/zinc/25/21/10/629252110.db2.gz CVXZPTKGSXTGFY-KGLIPLIRSA-N 0 3 318.848 3.251 20 30 DGEDHN CC1(C)OCC[C@H]1NN=Cc1ccc(N2CCCCC2)cc1 ZINC000835014999 629823781 /nfs/dbraw/zinc/82/37/81/629823781.db2.gz YRTCAFATRNGYBY-QGZVFWFLSA-N 0 3 301.434 3.168 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC12CCSCC2)c1nc2ccccc2[nH]1 ZINC000835034389 629830385 /nfs/dbraw/zinc/83/03/85/629830385.db2.gz AJHRGTGPUGXNOT-RYUDHWBXSA-N 0 3 311.410 3.272 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000836919469 630186582 /nfs/dbraw/zinc/18/65/82/630186582.db2.gz JXMGWFOSLGJIHP-QGZVFWFLSA-N 0 3 312.457 3.016 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000837142187 630217515 /nfs/dbraw/zinc/21/75/15/630217515.db2.gz PGCPVCKSXMQLPK-KRWDZBQOSA-N 0 3 303.381 3.018 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000840956683 630385386 /nfs/dbraw/zinc/38/53/86/630385386.db2.gz BSNOMHVUYDCTOM-ZTNFWEORSA-N 0 3 322.408 3.285 20 30 DGEDHN CCCN(CCC)c1ccc(C=NN2CCC[C@H]2CO)cc1 ZINC000841661913 630452558 /nfs/dbraw/zinc/45/25/58/630452558.db2.gz LBFHNYMDUHJKPB-SFHVURJKSA-N 0 3 303.450 3.104 20 30 DGEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284342 630510829 /nfs/dbraw/zinc/51/08/29/630510829.db2.gz IMARELGYNJPCJL-HOCLYGCPSA-N 0 3 301.390 3.008 20 30 DGEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842287727 630511489 /nfs/dbraw/zinc/51/14/89/630511489.db2.gz DSSOCYHRLLDUMO-HOTGVXAUSA-N 0 3 314.385 3.072 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2(F)CC2)cc1 ZINC000842685813 630563035 /nfs/dbraw/zinc/56/30/35/630563035.db2.gz ICYXOAZXWMSTMT-CQSZACIVSA-N 0 3 302.349 3.179 20 30 DGEDHN C[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942275 630597119 /nfs/dbraw/zinc/59/71/19/630597119.db2.gz IFUKZDRZRYXTIA-MWLCHTKSSA-N 0 3 320.414 3.175 20 30 DGEDHN C#CC1CCN(Cc2ccc(OC(=O)CC)c(OCC)c2)CC1 ZINC000843427259 630656832 /nfs/dbraw/zinc/65/68/32/630656832.db2.gz XFQUUTFIWBVXNB-UHFFFAOYSA-N 0 3 315.413 3.246 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000105486266 630717953 /nfs/dbraw/zinc/71/79/53/630717953.db2.gz JWKFHTYHYUAGLF-SCLBCKFNSA-N 0 3 308.381 3.460 20 30 DGEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCC2(CCCC2)O1 ZINC000844367409 630721719 /nfs/dbraw/zinc/72/17/19/630721719.db2.gz BAVZPDWCHNGMSG-MSOLQXFVSA-N 0 3 314.429 3.015 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000847026375 631385320 /nfs/dbraw/zinc/38/53/20/631385320.db2.gz YHGUQLBHZUHRRC-QGZVFWFLSA-N 0 3 310.441 3.158 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000848397393 631653479 /nfs/dbraw/zinc/65/34/79/631653479.db2.gz AWFADTZRNDKXMN-INIZCTEOSA-N 0 3 301.434 3.358 20 30 DGEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848404086 631654642 /nfs/dbraw/zinc/65/46/42/631654642.db2.gz JUTBGCVHMPYEEG-INIZCTEOSA-N 0 3 302.378 3.319 20 30 DGEDHN Cc1c(N=NC2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000848405225 631655884 /nfs/dbraw/zinc/65/58/84/631655884.db2.gz DEWPSVFBXLLAKB-MRXNPFEDSA-N 0 3 302.378 3.319 20 30 DGEDHN Brc1cccc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848412530 631657732 /nfs/dbraw/zinc/65/77/32/631657732.db2.gz UCKPPDVRNKIDMX-LBPRGKRZSA-N 0 3 323.238 3.260 20 30 DGEDHN CN1c2ccccc2C(C)(C)C1=CC=NNCCCn1ccnc1 ZINC000848420207 631659429 /nfs/dbraw/zinc/65/94/29/631659429.db2.gz SLMUYWDBAOJHNI-DETJWLCNSA-N 0 3 323.444 3.160 20 30 DGEDHN CC(C)(C#N)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000848552275 631689771 /nfs/dbraw/zinc/68/97/71/631689771.db2.gz KDOHOSQYOLFYCQ-PKOBYXMFSA-N 0 3 322.408 3.072 20 30 DGEDHN Cc1cc(-c2noc([C@H](N)CCCCC#N)n2)cc2nc[nH]c21 ZINC000848624077 631711542 /nfs/dbraw/zinc/71/15/42/631711542.db2.gz QAIWUDATVGOWOI-GFCCVEGCSA-N 0 3 310.361 3.005 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108938180 631989612 /nfs/dbraw/zinc/98/96/12/631989612.db2.gz OAAPFDHMZCCSCJ-FGTMMUONSA-N 0 3 320.392 3.177 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1F ZINC000109038600 632023753 /nfs/dbraw/zinc/02/37/53/632023753.db2.gz XHNSJFNQTPXRAL-SWLSCSKDSA-N 0 3 316.376 3.087 20 30 DGEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1C#N ZINC000850355143 632123644 /nfs/dbraw/zinc/12/36/44/632123644.db2.gz GXJKQGLOKUHPPH-UHFFFAOYSA-N 0 3 305.381 3.463 20 30 DGEDHN CN(CCC#N)c1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368735 632127921 /nfs/dbraw/zinc/12/79/21/632127921.db2.gz DXRVXMAPIOPOHV-UXHICEINSA-N 0 3 321.424 3.304 20 30 DGEDHN N#Cc1ccc(CNCC2SCCS2)c(C(F)(F)F)c1 ZINC000850402392 632140753 /nfs/dbraw/zinc/14/07/53/632140753.db2.gz ZEFXDGSRJNKQDQ-UHFFFAOYSA-N 0 3 318.389 3.473 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)C1CC2(C1)CCCCC2 ZINC000850757418 632217060 /nfs/dbraw/zinc/21/70/60/632217060.db2.gz KFYTWKBENUDAEN-QGZVFWFLSA-N 0 3 324.424 3.372 20 30 DGEDHN C#CCNC(=O)CN[C@H](c1ccc([C@@H](C)CC)cc1)C(C)C ZINC000007719221 632295273 /nfs/dbraw/zinc/29/52/73/632295273.db2.gz RANXXRKVBFKMGF-KXBFYZLASA-N 0 3 300.446 3.236 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000852098086 632553191 /nfs/dbraw/zinc/55/31/91/632553191.db2.gz FHJBCVQHVMIPHG-IBGZPJMESA-N 0 3 300.446 3.205 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000852101663 632555156 /nfs/dbraw/zinc/55/51/56/632555156.db2.gz GFJHUSMZYLBMIQ-DOTOQJQBSA-N 0 3 306.475 3.343 20 30 DGEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000852103094 632555605 /nfs/dbraw/zinc/55/56/05/632555605.db2.gz XJNKUGCCRUFMPM-IQUTYRLHSA-N 0 3 312.413 3.390 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1c(Cl)ncnc1N(C)C ZINC000852303547 632583349 /nfs/dbraw/zinc/58/33/49/632583349.db2.gz SHLBBVRHUXRRFF-GXTWGEPZSA-N 0 3 308.857 3.421 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@H](C)C1 ZINC000943816442 660201259 /nfs/dbraw/zinc/20/12/59/660201259.db2.gz PGANBLCNQBZHCM-CZUORRHYSA-N 0 3 304.434 3.338 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)[C@H](C)C1 ZINC000943816439 660201354 /nfs/dbraw/zinc/20/13/54/660201354.db2.gz PGANBLCNQBZHCM-CJNGLKHVSA-N 0 3 304.434 3.338 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)[C@@H](C)C1 ZINC000944047336 660208954 /nfs/dbraw/zinc/20/89/54/660208954.db2.gz PUXXLEITDSWXHU-KXBFYZLASA-N 0 3 322.408 3.020 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)[C@@H](C)C1 ZINC000944318804 660219159 /nfs/dbraw/zinc/21/91/59/660219159.db2.gz RZMRBIFAJVXEDW-WCQYABFASA-N 0 3 324.877 3.173 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000944304474 660219880 /nfs/dbraw/zinc/21/98/80/660219880.db2.gz IICWVIJFQBIFES-UZLBHIALSA-N 0 3 320.436 3.303 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](C)C1 ZINC000944789972 660232474 /nfs/dbraw/zinc/23/24/74/660232474.db2.gz NHOPUHPAIYRNKS-LSDHHAIUSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C[C@@H]1C ZINC000948070545 659915841 /nfs/dbraw/zinc/91/58/41/659915841.db2.gz QJAYXSBJCLQUKY-RDJZCZTQSA-N 0 3 324.424 3.347 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cccc(C)c3o2)[C@H](C)C1 ZINC000945182198 660242956 /nfs/dbraw/zinc/24/29/56/660242956.db2.gz PEJPLJRSCVTVOA-NVXWUHKLSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)[C@H](C)C1 ZINC000945182184 660243054 /nfs/dbraw/zinc/24/30/54/660243054.db2.gz OZGZPHOFBGGWAM-ZIAGYGMSSA-N 0 3 306.475 3.498 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000945222317 660244692 /nfs/dbraw/zinc/24/46/92/660244692.db2.gz NAJDAWQSULLDIP-KXBFYZLASA-N 0 3 310.441 3.028 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC000996229859 660277879 /nfs/dbraw/zinc/27/78/79/660277879.db2.gz WNYRETGWPWOIQF-APWZRJJASA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001032412415 660313712 /nfs/dbraw/zinc/31/37/12/660313712.db2.gz VYRDDEAQXDMQCZ-LUKYLMHMSA-N 0 3 304.478 3.310 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001032422980 660320139 /nfs/dbraw/zinc/32/01/39/660320139.db2.gz PQLIXGUYIBLUAV-MOQPVCNJSA-N 0 3 310.869 3.096 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)cccc1C ZINC001032427566 660320520 /nfs/dbraw/zinc/32/05/20/660320520.db2.gz FTKAQUOUDSSZDU-ROUUACIJSA-N 0 3 312.457 3.097 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000997395420 660323784 /nfs/dbraw/zinc/32/37/84/660323784.db2.gz LBNNSHNLRHBRPR-LSTHTHJFSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)csc2Cl)CC1 ZINC000997405147 660323991 /nfs/dbraw/zinc/32/39/91/660323991.db2.gz BKMMCQWDQAIICA-GFCCVEGCSA-N 0 3 324.877 3.173 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000997435829 660324288 /nfs/dbraw/zinc/32/42/88/660324288.db2.gz DPQGYDHBUSCOIL-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c2cccnc12 ZINC001032525896 660337612 /nfs/dbraw/zinc/33/76/12/660337612.db2.gz IUEWMAQDJXEXIN-HOTGVXAUSA-N 0 3 321.424 3.018 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000997731022 660341004 /nfs/dbraw/zinc/34/10/04/660341004.db2.gz GWGHIPIYBDKDBB-HNNXBMFYSA-N 0 3 323.440 3.022 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(F)cc1C ZINC001032556943 660346123 /nfs/dbraw/zinc/34/61/23/660346123.db2.gz DXLQCQMTYVCLGQ-IRXDYDNUSA-N 0 3 316.420 3.307 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(C3CCC3)c2)CC1 ZINC000997834137 660346957 /nfs/dbraw/zinc/34/69/57/660346957.db2.gz AMCYLRJCHWTTDT-INIZCTEOSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccccc2Cl)CC1 ZINC000997841072 660347018 /nfs/dbraw/zinc/34/70/18/660347018.db2.gz IORKUKJSLQRXIP-AWEZNQCLSA-N 0 3 318.848 3.194 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000997874479 660348379 /nfs/dbraw/zinc/34/83/79/660348379.db2.gz PRWMQCFWGWQXDH-HNNXBMFYSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cccs2)CC1 ZINC000997912804 660353773 /nfs/dbraw/zinc/35/37/73/660353773.db2.gz IAJOHPYEJVBPAV-HNNXBMFYSA-N 0 3 304.459 3.088 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccccc2C)CC1 ZINC000997930461 660357103 /nfs/dbraw/zinc/35/71/03/660357103.db2.gz VDHISZVZLLSKHX-SFHVURJKSA-N 0 3 312.457 3.335 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccsc2C)CC1 ZINC000998003216 660363159 /nfs/dbraw/zinc/36/31/59/660363159.db2.gz FYASLRVRCKINEG-OAHLLOKOSA-N 0 3 304.459 3.006 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccsc2C)CC1 ZINC000998006597 660363198 /nfs/dbraw/zinc/36/31/98/660363198.db2.gz VAOVRLXNSHNHCY-MRXNPFEDSA-N 0 3 318.486 3.396 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000998013674 660363897 /nfs/dbraw/zinc/36/38/97/660363897.db2.gz TYICDMGCNBNRFN-RCCFBDPRSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccccc3)CC[C@@H]2C1 ZINC000946457607 660366357 /nfs/dbraw/zinc/36/63/57/660366357.db2.gz YRQPWOAQFKJVEO-CALCHBBNSA-N 0 3 318.848 3.223 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc3[nH]ccc32)CC1 ZINC000998119488 660371221 /nfs/dbraw/zinc/37/12/21/660371221.db2.gz FHQLFVNXODWRPY-MRXNPFEDSA-N 0 3 323.440 3.118 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000998142088 660372744 /nfs/dbraw/zinc/37/27/44/660372744.db2.gz UAYZMKCLHZQECF-AQNXPRMDSA-N 0 3 324.468 3.126 20 30 DGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC23CCCC3)CC1 ZINC000998165323 660374082 /nfs/dbraw/zinc/37/40/82/660374082.db2.gz LLRAWDUOJPVFFI-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000998193112 660375368 /nfs/dbraw/zinc/37/53/68/660375368.db2.gz FLHNUBIBIZBMRG-FQEVSTJZSA-N 0 3 324.468 3.125 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2CCC=CCC2)CC1 ZINC000998195840 660375987 /nfs/dbraw/zinc/37/59/87/660375987.db2.gz HTIRVGQYMQKOCN-IBGZPJMESA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)C2CCC(=C)CC2)CC1 ZINC000998108277 660370345 /nfs/dbraw/zinc/37/03/45/660370345.db2.gz FNRCUKQIVSJRFX-SFHVURJKSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccccc2CC)CC1 ZINC000998108103 660370447 /nfs/dbraw/zinc/37/04/47/660370447.db2.gz ZYKUOXFGDSDMPG-SFHVURJKSA-N 0 3 312.457 3.199 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)C1 ZINC001032614408 660379104 /nfs/dbraw/zinc/37/91/04/660379104.db2.gz OMELHIPMVSJZJP-IRXDYDNUSA-N 0 3 314.473 3.208 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)C(=C)C)CC[C@@H]1C(F)(F)F ZINC000998278403 660380408 /nfs/dbraw/zinc/38/04/08/660380408.db2.gz TXGLTPDZZXPGSZ-STQMWFEESA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC2(C)CC2)CC[C@H]1C(F)(F)F ZINC000998278455 660380653 /nfs/dbraw/zinc/38/06/53/660380653.db2.gz HGWWQPYOWJHGCS-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C1(C)CC1 ZINC001032623266 660381756 /nfs/dbraw/zinc/38/17/56/660381756.db2.gz KZJPEASZRZNBSR-HOTGVXAUSA-N 0 3 310.441 3.213 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032625824 660382517 /nfs/dbraw/zinc/38/25/17/660382517.db2.gz KPEIIHSHHXPMNK-HOTGVXAUSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2OC(C)C)C[C@@H]1C ZINC000947947922 660397088 /nfs/dbraw/zinc/39/70/88/660397088.db2.gz KTKPWLFXPIQWBO-HOTGVXAUSA-N 0 3 316.445 3.243 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccccc2OC(C)C)C[C@H]1C ZINC000947947923 660397098 /nfs/dbraw/zinc/39/70/98/660397098.db2.gz KTKPWLFXPIQWBO-HZPDHXFCSA-N 0 3 316.445 3.243 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(CC)s2)C1 ZINC000999070888 660404143 /nfs/dbraw/zinc/40/41/43/660404143.db2.gz WONYSEJCJXJOPT-UHFFFAOYSA-N 0 3 312.866 3.256 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(C)c1 ZINC001032654370 660407238 /nfs/dbraw/zinc/40/72/38/660407238.db2.gz WTMVFKVALPCCSG-NEWSRXKRSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(C)c1 ZINC001032654371 660407314 /nfs/dbraw/zinc/40/73/14/660407314.db2.gz WTMVFKVALPCCSG-WDSOQIARSA-N 0 3 312.457 3.350 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCc2ccccc21 ZINC001032690950 660414368 /nfs/dbraw/zinc/41/43/68/660414368.db2.gz GAJNEGNCGPDRJO-QYZOEREBSA-N 0 3 324.468 3.358 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC000999388203 660417653 /nfs/dbraw/zinc/41/76/53/660417653.db2.gz ABYXUOAWKKPYPK-LMWSTFAQSA-N 0 3 312.866 3.183 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC000999703086 660425158 /nfs/dbraw/zinc/42/51/58/660425158.db2.gz POGCGICMIAKZTN-JEYLPNPQSA-N 0 3 306.837 3.122 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)ccc2C)C1 ZINC000999744341 660426854 /nfs/dbraw/zinc/42/68/54/660426854.db2.gz BZPDABOKNLVCEN-UHFFFAOYSA-N 0 3 306.837 3.249 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1-c1ccccc1 ZINC001032728923 660435071 /nfs/dbraw/zinc/43/50/71/660435071.db2.gz NPNFGPRCXBPUKS-IRXDYDNUSA-N 0 3 321.424 3.157 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc2ccccc21 ZINC001032766259 660441386 /nfs/dbraw/zinc/44/13/86/660441386.db2.gz WIIJOPSOWIJLKK-HOTGVXAUSA-N 0 3 321.424 3.018 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1F ZINC001032778006 660443014 /nfs/dbraw/zinc/44/30/14/660443014.db2.gz AFEHBEBFFPLJNV-IRXDYDNUSA-N 0 3 316.420 3.010 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C(F)=C(C)C)CC[C@@H]2C1 ZINC000946550527 660446689 /nfs/dbraw/zinc/44/66/89/660446689.db2.gz GSPXEEXPYOPKIV-OKILXGFUSA-N 0 3 314.832 3.173 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001032792385 660447457 /nfs/dbraw/zinc/44/74/57/660447457.db2.gz XPZHDKYHRWSMKP-JQFCIGGWSA-N 0 3 318.848 3.305 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCc2ccccc21 ZINC001032807654 660451851 /nfs/dbraw/zinc/45/18/51/660451851.db2.gz RRTNMTVGIBAOSL-CMKODMSKSA-N 0 3 324.468 3.358 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2scc(C)c2Cl)CC1 ZINC001001440917 660454375 /nfs/dbraw/zinc/45/43/75/660454375.db2.gz ABLBJEFMCYPYKM-UHFFFAOYSA-N 0 3 324.877 3.175 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2c(C)cccc2Cl)CC1 ZINC001001795444 660458033 /nfs/dbraw/zinc/45/80/33/660458033.db2.gz RTFZYZYJGYZRET-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C2CCC2)CC1 ZINC001004318318 660541431 /nfs/dbraw/zinc/54/14/31/660541431.db2.gz LEEWVNVEMUVWHN-INIZCTEOSA-N 0 3 310.869 3.242 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1 ZINC001033115618 660549507 /nfs/dbraw/zinc/54/95/07/660549507.db2.gz ZVYUCYGAESJCHP-LLVKDONJSA-N 0 3 316.323 3.021 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3ccccc3nc2C)C1 ZINC001033122687 660552491 /nfs/dbraw/zinc/55/24/91/660552491.db2.gz NBNNWEGROMRHLR-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001033166820 660571065 /nfs/dbraw/zinc/57/10/65/660571065.db2.gz YLNLPZLCMLUAIM-FHWLQOOXSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3(CC)CCC3)CC[C@@H]2C1 ZINC000946722885 660578172 /nfs/dbraw/zinc/57/81/72/660578172.db2.gz DJPTYFDDLRUFRV-IYBDPMFKSA-N 0 3 324.896 3.490 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(CCCC)cc2)C1 ZINC001033253447 660599616 /nfs/dbraw/zinc/59/96/16/660599616.db2.gz KNHKPUYYMJLAMC-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3cc2F)C1 ZINC001033256238 660599743 /nfs/dbraw/zinc/59/97/43/660599743.db2.gz QTOPPXNMOPLGQV-QGZVFWFLSA-N 0 3 324.399 3.149 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033295146 660605191 /nfs/dbraw/zinc/60/51/91/660605191.db2.gz IQVPTKPIYNKNEH-QGZVFWFLSA-N 0 3 310.441 3.042 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001033312247 660606701 /nfs/dbraw/zinc/60/67/01/660606701.db2.gz BFLQZUTWXUZXFX-OAHLLOKOSA-N 0 3 315.392 3.029 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001033383011 660617490 /nfs/dbraw/zinc/61/74/90/660617490.db2.gz JZOWYDQLDCTJQI-HNNXBMFYSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001033389491 660618369 /nfs/dbraw/zinc/61/83/69/660618369.db2.gz PGEWPUWSSFZIOM-IBGZPJMESA-N 0 3 312.457 3.466 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2C2(C)CC2)C1 ZINC001033417113 660619526 /nfs/dbraw/zinc/61/95/26/660619526.db2.gz OZEFUIMGNXPBRO-INIZCTEOSA-N 0 3 312.457 3.461 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001033400529 660620119 /nfs/dbraw/zinc/62/01/19/660620119.db2.gz WIFWIWOYBQHMQO-SFHVURJKSA-N 0 3 312.457 3.384 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)c3ccccc23)C1 ZINC001033457228 660624446 /nfs/dbraw/zinc/62/44/46/660624446.db2.gz GGYQSTIVPZXDNP-QGZVFWFLSA-N 0 3 320.436 3.318 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033492749 660628413 /nfs/dbraw/zinc/62/84/13/660628413.db2.gz VEFAFOWGQYWVHE-NSHGMRRFSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033492748 660628441 /nfs/dbraw/zinc/62/84/41/660628441.db2.gz VEFAFOWGQYWVHE-GGPKGHCWSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001033511074 660629170 /nfs/dbraw/zinc/62/91/70/660629170.db2.gz AYVKWQLISXGMKK-HUUCEWRRSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001033589102 660635189 /nfs/dbraw/zinc/63/51/89/660635189.db2.gz AUFHFYAGXOKDHL-SFHVURJKSA-N 0 3 314.473 3.381 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sccc2C(F)F)C1 ZINC001033624902 660640961 /nfs/dbraw/zinc/64/09/61/660640961.db2.gz RBFHAVDHYNWNAH-LLVKDONJSA-N 0 3 314.401 3.408 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001033626574 660641410 /nfs/dbraw/zinc/64/14/10/660641410.db2.gz RTYQBWNOLKOMKL-WBVHZDCISA-N 0 3 318.848 3.089 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634453 660642854 /nfs/dbraw/zinc/64/28/54/660642854.db2.gz PMCVRSPZPYLVSJ-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634454 660642901 /nfs/dbraw/zinc/64/29/01/660642901.db2.gz PMCVRSPZPYLVSJ-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2CC(C)C)C1 ZINC001033699880 660651942 /nfs/dbraw/zinc/65/19/42/660651942.db2.gz QUUFWQMFOAWCFD-GOSISDBHSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001033707992 660652844 /nfs/dbraw/zinc/65/28/44/660652844.db2.gz WYOBCXMOXWXXOR-KRWDZBQOSA-N 0 3 323.440 3.404 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834814 660667782 /nfs/dbraw/zinc/66/77/82/660667782.db2.gz YCCXKCBBSDKWID-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033830822 660667918 /nfs/dbraw/zinc/66/79/18/660667918.db2.gz PFPBUGBAPGILRN-VSZNYVQBSA-N 0 3 302.462 3.088 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033849594 660670448 /nfs/dbraw/zinc/67/04/48/660670448.db2.gz YPAVWYSXTYMMKU-CQSZACIVSA-N 0 3 323.387 3.132 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(CCC)s2)CC1 ZINC001005455519 660679416 /nfs/dbraw/zinc/67/94/16/660679416.db2.gz VEBMYCSSERTTFR-UHFFFAOYSA-N 0 3 306.475 3.423 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(Cl)c2F)C1 ZINC001033938428 660683631 /nfs/dbraw/zinc/68/36/31/660683631.db2.gz PKUZUVILRCJBDD-ZDUSSCGKSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033961314 660688515 /nfs/dbraw/zinc/68/85/15/660688515.db2.gz GYAWXPNZJLQXOV-OAHLLOKOSA-N 0 3 311.429 3.280 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2Cl)C1 ZINC001033992636 660690996 /nfs/dbraw/zinc/69/09/96/660690996.db2.gz VJWPESAZHJMNKJ-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(C(C)C)c2)C1 ZINC001034010765 660693229 /nfs/dbraw/zinc/69/32/29/660693229.db2.gz WPYDXYLQIPTEFV-LJQANCHMSA-N 0 3 312.457 3.370 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCC(C3CC3)CC2)C1 ZINC001034036981 660698310 /nfs/dbraw/zinc/69/83/10/660698310.db2.gz PPDPDWLEICMFKJ-ACBHZAAOSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054252 660699520 /nfs/dbraw/zinc/69/95/20/660699520.db2.gz GLSAKUKHMCGWER-ZDUSSCGKSA-N 0 3 310.438 3.390 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054250 660699704 /nfs/dbraw/zinc/69/97/04/660699704.db2.gz GLSAKUKHMCGWER-CYBMUJFWSA-N 0 3 310.438 3.390 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001034053648 660699712 /nfs/dbraw/zinc/69/97/12/660699712.db2.gz UCEHVGWTBCWDHE-DZIBYMRMSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001034054308 660699745 /nfs/dbraw/zinc/69/97/45/660699745.db2.gz WYEWAVUAWPFIFB-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3cnccc32)C1 ZINC001034042109 660700757 /nfs/dbraw/zinc/70/07/57/660700757.db2.gz LHWMLCKDKMHYKE-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034028425 660695890 /nfs/dbraw/zinc/69/58/90/660695890.db2.gz DXOURKQLBPGCTQ-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(F)c(F)c2)CC1 ZINC001005510094 660713128 /nfs/dbraw/zinc/71/31/28/660713128.db2.gz IONWPDRFRFAJAT-UHFFFAOYSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001034235373 660726132 /nfs/dbraw/zinc/72/61/32/660726132.db2.gz CUEIGQBBILNVPS-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288392 660732789 /nfs/dbraw/zinc/73/27/89/660732789.db2.gz KEKHBRCRVXWMBD-MRXNPFEDSA-N 0 3 313.445 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001034292597 660733061 /nfs/dbraw/zinc/73/30/61/660733061.db2.gz GWFFFPIYIZNWBP-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001034312289 660735920 /nfs/dbraw/zinc/73/59/20/660735920.db2.gz PBQKBPBMPIVYNC-SJLPKXTDSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034316340 660736391 /nfs/dbraw/zinc/73/63/91/660736391.db2.gz TUBDVNHHDSXQJK-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001034329979 660737633 /nfs/dbraw/zinc/73/76/33/660737633.db2.gz LZSREMYNBOXKGG-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001034346347 660740877 /nfs/dbraw/zinc/74/08/77/660740877.db2.gz SFOQFNLPPDRYSC-OAHLLOKOSA-N 0 3 318.486 3.020 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001034375683 660743352 /nfs/dbraw/zinc/74/33/52/660743352.db2.gz DLCLYKKFZZKTJX-SFHVURJKSA-N 0 3 314.473 3.311 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001034376575 660745220 /nfs/dbraw/zinc/74/52/20/660745220.db2.gz OVNGCFNFKLQXGD-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001034383105 660746218 /nfs/dbraw/zinc/74/62/18/660746218.db2.gz SSGJRSSQBPUJSH-QGZVFWFLSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001034394162 660746901 /nfs/dbraw/zinc/74/69/01/660746901.db2.gz LPOJHKCQLGWDHD-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001034453497 660755847 /nfs/dbraw/zinc/75/58/47/660755847.db2.gz HLMJGAYAYJPLKJ-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001034513828 660765211 /nfs/dbraw/zinc/76/52/11/660765211.db2.gz DABAKGYRZBXVQF-INIZCTEOSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001034514876 660765795 /nfs/dbraw/zinc/76/57/95/660765795.db2.gz NKSTZKCFAGRUNU-HNNXBMFYSA-N 0 3 318.486 3.397 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034500432 660766328 /nfs/dbraw/zinc/76/63/28/660766328.db2.gz LEJZMOKUFSYNDR-ZDUSSCGKSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001034524302 660766659 /nfs/dbraw/zinc/76/66/59/660766659.db2.gz RMNRXIWMCFHRKV-MRXNPFEDSA-N 0 3 311.429 3.328 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001034532609 660767627 /nfs/dbraw/zinc/76/76/27/660767627.db2.gz OFRBESZDFGKHLG-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001034521057 660768204 /nfs/dbraw/zinc/76/82/04/660768204.db2.gz KUFUKAUAQKFJKW-OAHLLOKOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001034540239 660770583 /nfs/dbraw/zinc/77/05/83/660770583.db2.gz GULAJJRDJUEOFY-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001034540567 660770716 /nfs/dbraw/zinc/77/07/16/660770716.db2.gz IKTCRSRLRIJOIX-HIFRSBDPSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)cc(OC)c2C)CC1 ZINC001005667194 660786490 /nfs/dbraw/zinc/78/64/90/660786490.db2.gz KTPRUZRQXAYJLN-UHFFFAOYSA-N 0 3 316.445 3.034 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)CC2 ZINC001035709869 660846161 /nfs/dbraw/zinc/84/61/61/660846161.db2.gz FNNJWFNEBSGWQM-DLBZAZTESA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc3cc[nH]c3c1)CC2 ZINC001035804310 660854549 /nfs/dbraw/zinc/85/45/49/660854549.db2.gz MXCPNQOGZQRLMC-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)c1ccc(C)o1)CC2 ZINC001035812407 660855615 /nfs/dbraw/zinc/85/56/15/660855615.db2.gz MPAMPYVZSMOIAR-MRXNPFEDSA-N 0 3 316.445 3.192 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@@H]1CC)CC2 ZINC001035829331 660856535 /nfs/dbraw/zinc/85/65/35/660856535.db2.gz ZDHYSKLHZZMSRY-ROUUACIJSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@H]1CC)CC2 ZINC001035829328 660856666 /nfs/dbraw/zinc/85/66/66/660856666.db2.gz ZDHYSKLHZZMSRY-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccccc1C)CC2 ZINC001035856527 660859840 /nfs/dbraw/zinc/85/98/40/660859840.db2.gz QNYGGDNKZUARIR-SFHVURJKSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc(C3CC3)c1)CC2 ZINC001035858215 660860249 /nfs/dbraw/zinc/86/02/49/660860249.db2.gz FGUDAKSXXNMTOD-UHFFFAOYSA-N 0 3 322.452 3.125 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)CC2 ZINC001035858422 660860412 /nfs/dbraw/zinc/86/04/12/660860412.db2.gz HSTSTRIBCCNMQT-IAGOWNOFSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C[C@H](C(=O)N1CCC2(CN(CC(=C)C)C2)CC1)c1ccccc1 ZINC001035856877 660860468 /nfs/dbraw/zinc/86/04/68/660860468.db2.gz XGVCJSZTOVYGTH-IBGZPJMESA-N 0 3 324.468 3.457 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC(C)(C)C1)CC2 ZINC001035859971 660860882 /nfs/dbraw/zinc/86/08/82/660860882.db2.gz GBQDDWQVOOTTRS-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2nccc3ccccc32)CC1 ZINC001005895236 660948004 /nfs/dbraw/zinc/94/80/04/660948004.db2.gz AVZVEBVIHVFBRV-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)c(Cl)c2)CC1 ZINC001005933053 660951170 /nfs/dbraw/zinc/95/11/70/660951170.db2.gz DQMQCAHFXFWTJX-UHFFFAOYSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(Cl)s2)CC1 ZINC001006098903 660963281 /nfs/dbraw/zinc/96/32/81/660963281.db2.gz SXFZXPQDJKWVSP-UHFFFAOYSA-N 0 3 312.866 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2csc(C(C)C)n2)CC1 ZINC001006148696 660965933 /nfs/dbraw/zinc/96/59/33/660965933.db2.gz UEMQPRINMJWBGG-UHFFFAOYSA-N 0 3 321.490 3.379 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3ccccc3n2)CC1 ZINC001006323940 660974604 /nfs/dbraw/zinc/97/46/04/660974604.db2.gz LIPBQXLKWLDEOL-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2c(F)cccc2Cl)CC1 ZINC001006326281 660974852 /nfs/dbraw/zinc/97/48/52/660974852.db2.gz LYEVKAQQFOFEED-UHFFFAOYSA-N 0 3 310.800 3.202 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000792919193 660993723 /nfs/dbraw/zinc/99/37/23/660993723.db2.gz GGEIBFWLPKJHGH-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000794677742 661098133 /nfs/dbraw/zinc/09/81/33/661098133.db2.gz YGAYFQOWBYMTQI-HTONXFGNSA-N 0 3 304.434 3.330 20 30 DGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@@H]1CCCC1(C)C ZINC000794935212 661114769 /nfs/dbraw/zinc/11/47/69/661114769.db2.gz GOFZVAXLSAAEBQ-MRXNPFEDSA-N 0 3 311.433 3.265 20 30 DGEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(C)=C(C)C1 ZINC000794878966 661111243 /nfs/dbraw/zinc/11/12/43/661111243.db2.gz DHGZFBVRHXVVAI-UHFFFAOYSA-N 0 3 307.401 3.125 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC000969110745 655523161 /nfs/dbraw/zinc/52/31/61/655523161.db2.gz AMHADARUWZLPQA-HNNXBMFYSA-N 0 3 318.465 3.002 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000969118396 655524990 /nfs/dbraw/zinc/52/49/90/655524990.db2.gz OECOQKHWSKLDBJ-HSALFYBXSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC000969136400 655527693 /nfs/dbraw/zinc/52/76/93/655527693.db2.gz LTCNFVMAVFSMEJ-GOSISDBHSA-N 0 3 300.446 3.409 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC000969136401 655527823 /nfs/dbraw/zinc/52/78/23/655527823.db2.gz LTCNFVMAVFSMEJ-SFHVURJKSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000969147208 655528512 /nfs/dbraw/zinc/52/85/12/655528512.db2.gz AAGSKLYGXLKYIF-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC000969158779 655529407 /nfs/dbraw/zinc/52/94/07/655529407.db2.gz UKKZRSUQAGBWOW-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC000969160830 655529512 /nfs/dbraw/zinc/52/95/12/655529512.db2.gz MEDULAAKAOLBIJ-KRWDZBQOSA-N 0 3 304.409 3.317 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC000969160825 655529799 /nfs/dbraw/zinc/52/97/99/655529799.db2.gz MAIGVPSGYDGFDJ-SFHVURJKSA-N 0 3 316.420 3.154 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C[C@H]1C ZINC000947369276 655530514 /nfs/dbraw/zinc/53/05/14/655530514.db2.gz JGLOSHJLHRAZOX-DNVCBOLYSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001020578180 655556378 /nfs/dbraw/zinc/55/63/78/655556378.db2.gz QISPJFPGFPSDFE-SHTZXODSSA-N 0 3 324.827 3.093 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000969800267 655557995 /nfs/dbraw/zinc/55/79/95/655557995.db2.gz CUCPDEKNMQGLGH-OAHLLOKOSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC000969830923 655559070 /nfs/dbraw/zinc/55/90/70/655559070.db2.gz WFOAGLMJVPUDGT-PBHICJAKSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001020619317 655561600 /nfs/dbraw/zinc/56/16/00/655561600.db2.gz UIPUCHSISJDVBR-HAQNSBGRSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001020678970 655569513 /nfs/dbraw/zinc/56/95/13/655569513.db2.gz DEFRKUGZBSIUJR-MJFSBKNWSA-N 0 3 312.885 3.438 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3ccccc3cc2F)C1 ZINC000970130727 655578859 /nfs/dbraw/zinc/57/88/59/655578859.db2.gz JHMGJWXPROZKCG-CQSZACIVSA-N 0 3 324.399 3.052 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651915 655585295 /nfs/dbraw/zinc/58/52/95/655585295.db2.gz NQMAJRZFSOJUSA-DNVCBOLYSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC000970206156 655588747 /nfs/dbraw/zinc/58/87/47/655588747.db2.gz XVJLEUNSTWAAMN-GFCCVEGCSA-N 0 3 324.827 3.414 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001021092662 655589119 /nfs/dbraw/zinc/58/91/19/655589119.db2.gz OYEHWMVAKAOQNB-HDJSIYSDSA-N 0 3 318.804 3.344 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC000970267627 655591210 /nfs/dbraw/zinc/59/12/10/655591210.db2.gz HOMIHJAOTVDMGS-AWEZNQCLSA-N 0 3 318.848 3.030 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC000970366989 655596697 /nfs/dbraw/zinc/59/66/97/655596697.db2.gz OXSBJJHLYJJHHO-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccs2)C1 ZINC001039206583 655614515 /nfs/dbraw/zinc/61/45/15/655614515.db2.gz MSLZTNMTIVKPOD-CVEARBPZSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCC2CCCC2)C1 ZINC001039206701 655614556 /nfs/dbraw/zinc/61/45/56/655614556.db2.gz OYOXQRRQZMVRMO-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC000970752349 655617238 /nfs/dbraw/zinc/61/72/38/655617238.db2.gz SBVBSJOYHCOTDM-OAHLLOKOSA-N 0 3 324.424 3.123 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000970785221 655620372 /nfs/dbraw/zinc/62/03/72/655620372.db2.gz ZLSZBQLWUTVVGH-OAHLLOKOSA-N 0 3 312.457 3.058 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccccc2C2CCC2)C1 ZINC000970816311 655625380 /nfs/dbraw/zinc/62/53/80/655625380.db2.gz KIRXNSBDBGPABN-HNNXBMFYSA-N 0 3 310.441 3.028 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCC(C(F)F)CC2)C1 ZINC000970816344 655625447 /nfs/dbraw/zinc/62/54/47/655625447.db2.gz KXDHWVUHNKKFIN-IYXRBSQSSA-N 0 3 314.420 3.071 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cscc2C)C1 ZINC001021555430 655630685 /nfs/dbraw/zinc/63/06/85/655630685.db2.gz VDQMFORHBOOHGD-NVXWUHKLSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)(C)C2CC2)C1 ZINC001021585355 655637286 /nfs/dbraw/zinc/63/72/86/655637286.db2.gz RQXTULXQXSXCJV-WMZOPIPTSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000970940005 655640245 /nfs/dbraw/zinc/64/02/45/655640245.db2.gz ZKNZLTBSYJEMQW-AWEZNQCLSA-N 0 3 311.429 3.103 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCCCCC2)C1 ZINC001021631765 655645896 /nfs/dbraw/zinc/64/58/96/655645896.db2.gz ZXJDPRAHSGIOJO-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C(C)C)c2)C1 ZINC001021708874 655660277 /nfs/dbraw/zinc/66/02/77/655660277.db2.gz HEEJNSIOOHMIGW-UXHICEINSA-N 0 3 324.468 3.370 20 30 DGEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001021718823 655663086 /nfs/dbraw/zinc/66/30/86/655663086.db2.gz KKIAUCOLSLPVHM-MKXGPGLRSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C)c(C)c2)C1 ZINC001021728631 655665214 /nfs/dbraw/zinc/66/52/14/655665214.db2.gz VBQJVWKNGWXVOA-WOJBJXKFSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCC1(NCC(=O)Nc2ccccc2SC(F)F)CCC1 ZINC000933301060 655698350 /nfs/dbraw/zinc/69/83/50/655698350.db2.gz AZCPZRRQCCKIRL-UHFFFAOYSA-N 0 3 324.396 3.475 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCC1 ZINC000933300175 655698400 /nfs/dbraw/zinc/69/84/00/655698400.db2.gz SOIVIPGLVLWBOC-LLVKDONJSA-N 0 3 308.784 3.342 20 30 DGEDHN COc1ccccc1OCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000160950562 655699014 /nfs/dbraw/zinc/69/90/14/655699014.db2.gz IVVIJDFHFJTMFO-UHFFFAOYSA-N 0 3 314.360 3.217 20 30 DGEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000255331413 655701601 /nfs/dbraw/zinc/70/16/01/655701601.db2.gz LYYBBCMEJAEAEK-WHLNPGIBSA-N 0 3 324.359 3.033 20 30 DGEDHN CN(CC(=O)NCCC1=CCCCC1)CC1CCC(C#N)CC1 ZINC000933358866 655704333 /nfs/dbraw/zinc/70/43/33/655704333.db2.gz HOGNFTLSJCFLQS-UHFFFAOYSA-N 0 3 317.477 3.255 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2coc3ccc(CC)cc32)C1 ZINC000971540115 655704380 /nfs/dbraw/zinc/70/43/80/655704380.db2.gz CTVORFJNCCWNJQ-OAHLLOKOSA-N 0 3 312.413 3.328 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001022071661 655707363 /nfs/dbraw/zinc/70/73/63/655707363.db2.gz XHJCCLRJJGBWGC-SYEHKZFSSA-N 0 3 308.809 3.006 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000933494512 655716299 /nfs/dbraw/zinc/71/62/99/655716299.db2.gz ONOKUIZYXNUVKH-HUUCEWRRSA-N 0 3 316.445 3.085 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2CCCC#N ZINC000933499293 655716591 /nfs/dbraw/zinc/71/65/91/655716591.db2.gz ULDLDUHLEYLHDX-WMLDXEAASA-N 0 3 307.438 3.059 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001022288399 655726721 /nfs/dbraw/zinc/72/67/21/655726721.db2.gz DAOBIKPQEPUKHS-UXLLHSPISA-N 0 3 318.848 3.096 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001022388998 655735012 /nfs/dbraw/zinc/73/50/12/655735012.db2.gz IWINMTDXSCJCRC-PHIMTYICSA-N 0 3 317.191 3.082 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3cc(F)ccc23)C[C@H]1C ZINC000947473588 655736537 /nfs/dbraw/zinc/73/65/37/655736537.db2.gz NNVIGGQXUOWXKR-TZMCWYRMSA-N 0 3 316.376 3.341 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000971883181 655741789 /nfs/dbraw/zinc/74/17/89/655741789.db2.gz YREKAAYSOAXNQN-AWEZNQCLSA-N 0 3 300.427 3.234 20 30 DGEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)c(C)c1 ZINC000051652026 655775635 /nfs/dbraw/zinc/77/56/35/655775635.db2.gz MRVNXTQDHJRVOT-QGZVFWFLSA-N 0 3 312.413 3.004 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC000972310450 655787514 /nfs/dbraw/zinc/78/75/14/655787514.db2.gz FMRITMSTLLVSJT-QFBILLFUSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cccnc32)C[C@H]1C ZINC000947510517 655791688 /nfs/dbraw/zinc/79/16/88/655791688.db2.gz LXCYAMTVAZPJMJ-ZBFHGGJFSA-N 0 3 309.413 3.004 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C[C@@H]1C ZINC000947520373 655799508 /nfs/dbraw/zinc/79/95/08/655799508.db2.gz NYLSGXOMGAAUDB-GXTWGEPZSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001022972360 655806239 /nfs/dbraw/zinc/80/62/39/655806239.db2.gz PHIIPCPCZBCREX-UPJWGTAASA-N 0 3 312.866 3.149 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001022972359 655806369 /nfs/dbraw/zinc/80/63/69/655806369.db2.gz PHIIPCPCZBCREX-RWMBFGLXSA-N 0 3 312.866 3.149 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2CCCCCCC2)C[C@H]1C ZINC000947535880 655810233 /nfs/dbraw/zinc/81/02/33/655810233.db2.gz BOKIVTSXGKFVKQ-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001023063020 655811508 /nfs/dbraw/zinc/81/15/08/655811508.db2.gz GJMUAMSZHVBZSY-TXEJJXNPSA-N 0 3 324.877 3.230 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001023168164 655815872 /nfs/dbraw/zinc/81/58/72/655815872.db2.gz ITXJHDLAUFPKTI-GASCZTMLSA-N 0 3 320.864 3.262 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2coc3ccc(CC)cc23)C1 ZINC001023368243 655829836 /nfs/dbraw/zinc/82/98/36/655829836.db2.gz KDSZIEGUKVEURA-MRXNPFEDSA-N 0 3 324.424 3.070 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc3c2CCCC3)C1 ZINC001023387858 655831209 /nfs/dbraw/zinc/83/12/09/655831209.db2.gz AGSDMEFEZPHBLO-QGZVFWFLSA-N 0 3 324.468 3.031 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@@H]1C ZINC000947564550 655839795 /nfs/dbraw/zinc/83/97/95/655839795.db2.gz QWFORYKQVJQOTJ-RDJZCZTQSA-N 0 3 310.441 3.088 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001023563300 655843428 /nfs/dbraw/zinc/84/34/28/655843428.db2.gz ZWFOSJNNCBNHPD-SFHVURJKSA-N 0 3 312.457 3.104 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001023661749 655853206 /nfs/dbraw/zinc/85/32/06/655853206.db2.gz CSCKFSKAKSKGAG-INIZCTEOSA-N 0 3 312.457 3.059 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001023692748 655855340 /nfs/dbraw/zinc/85/53/40/655855340.db2.gz IUGYPGGEVZZPIG-INIZCTEOSA-N 0 3 322.408 3.022 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001023700853 655855450 /nfs/dbraw/zinc/85/54/50/655855450.db2.gz GANWJOGLUQXNNR-QGZVFWFLSA-N 0 3 322.452 3.111 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001023718404 655857268 /nfs/dbraw/zinc/85/72/68/655857268.db2.gz SLVRRBSRRMXIML-KRWDZBQOSA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)csc2Cl)C1 ZINC001023722157 655857466 /nfs/dbraw/zinc/85/74/66/655857466.db2.gz SZGOPHIABAPWSH-CYBMUJFWSA-N 0 3 324.877 3.175 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000972646657 655858072 /nfs/dbraw/zinc/85/80/72/655858072.db2.gz DMSWMQFVVRMYDE-OAHLLOKOSA-N 0 3 311.429 3.117 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000972647699 655858083 /nfs/dbraw/zinc/85/80/83/655858083.db2.gz CMFZYOWKDDQDLC-CYBMUJFWSA-N 0 3 316.426 3.340 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001023763060 655863079 /nfs/dbraw/zinc/86/30/79/655863079.db2.gz BGDNUZKYIZYQKR-INIZCTEOSA-N 0 3 324.424 3.125 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC000972693977 655866516 /nfs/dbraw/zinc/86/65/16/655866516.db2.gz UTRHWXSWLBERLN-NWDGAFQWSA-N 0 3 312.866 3.224 20 30 DGEDHN C(=NOCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000255692431 655890081 /nfs/dbraw/zinc/89/00/81/655890081.db2.gz JHVNTSWJRWFSFD-UHFFFAOYSA-N 0 3 310.397 3.116 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001036791902 661201836 /nfs/dbraw/zinc/20/18/36/661201836.db2.gz GSOOFPBITGTYRO-YKHJJTLOSA-N 0 3 310.869 3.264 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024472367 655908882 /nfs/dbraw/zinc/90/88/82/655908882.db2.gz SBKUEWGUMPOASB-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCCN1CC=C(C)C ZINC001024479655 655909838 /nfs/dbraw/zinc/90/98/38/655909838.db2.gz MIZJZUFVRCNRSQ-KRWDZBQOSA-N 0 3 315.461 3.225 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024505400 655911516 /nfs/dbraw/zinc/91/15/16/655911516.db2.gz BVWKXTNCCRUPEP-ROUUACIJSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530650 655913472 /nfs/dbraw/zinc/91/34/72/655913472.db2.gz IBPRCENFNUJALL-MRXNPFEDSA-N 0 3 313.445 3.119 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001024540399 655914749 /nfs/dbraw/zinc/91/47/49/655914749.db2.gz DKFBWSRNUQZSED-QGZVFWFLSA-N 0 3 316.445 3.164 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001024545884 655915507 /nfs/dbraw/zinc/91/55/07/655915507.db2.gz PJEGZMFWWTVVSJ-GOSISDBHSA-N 0 3 312.457 3.247 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001024571288 655918710 /nfs/dbraw/zinc/91/87/10/655918710.db2.gz WTEBGHFVLXUMBV-XLAORIBOSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001024572917 655918721 /nfs/dbraw/zinc/91/87/21/655918721.db2.gz CQWFEZMCBOOGMQ-GOSISDBHSA-N 0 3 324.468 3.480 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571736 655918923 /nfs/dbraw/zinc/91/89/23/655918923.db2.gz KNDXLPMWTCTFSU-XMTFNYHQSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024622038 655924756 /nfs/dbraw/zinc/92/47/56/655924756.db2.gz QKKNBHHQCJBMAW-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001024631597 655926487 /nfs/dbraw/zinc/92/64/87/655926487.db2.gz NSCQTMJTDQPQOT-INIZCTEOSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001024673567 655928800 /nfs/dbraw/zinc/92/88/00/655928800.db2.gz MRTHQMNNGUFBSP-SQNIBIBYSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001024676763 655929598 /nfs/dbraw/zinc/92/95/98/655929598.db2.gz YHSPHAZDUNMZIV-MRXNPFEDSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001024699631 655931770 /nfs/dbraw/zinc/93/17/70/655931770.db2.gz QQLRGBMCVPHCFX-OAHLLOKOSA-N 0 3 317.433 3.021 20 30 DGEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000177598507 655933778 /nfs/dbraw/zinc/93/37/78/655933778.db2.gz PNEBRIMSKJSXKB-ZDUSSCGKSA-N 0 3 314.366 3.026 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024792644 655939099 /nfs/dbraw/zinc/93/90/99/655939099.db2.gz LITLHSJYQMMWKS-INIZCTEOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001024806152 655940866 /nfs/dbraw/zinc/94/08/66/655940866.db2.gz GIGSEQHNOZUZMB-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001025190327 655974010 /nfs/dbraw/zinc/97/40/10/655974010.db2.gz AUAXJQXSCPQJGZ-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188981 655974145 /nfs/dbraw/zinc/97/41/45/655974145.db2.gz NECQMOSEBOIBAT-KBPBESRZSA-N 0 3 300.393 3.063 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025194556 655976242 /nfs/dbraw/zinc/97/62/42/655976242.db2.gz DXDPIFUKLGHGQK-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001025207958 655978737 /nfs/dbraw/zinc/97/87/37/655978737.db2.gz BWCOOCSVVGLGIA-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C(=C)Cl ZINC001025237551 655983121 /nfs/dbraw/zinc/98/31/21/655983121.db2.gz MRPWURPFZDITPH-HOTGVXAUSA-N 0 3 322.880 3.244 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccns1 ZINC001025236874 655983498 /nfs/dbraw/zinc/98/34/98/655983498.db2.gz IBRHJZKELBSXDH-LSDHHAIUSA-N 0 3 319.474 3.178 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258866 655984914 /nfs/dbraw/zinc/98/49/14/655984914.db2.gz KEORNHVAXKDKDN-SJORKVTESA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001025258488 655985007 /nfs/dbraw/zinc/98/50/07/655985007.db2.gz GTUAFKDLIPWMHJ-HOTGVXAUSA-N 0 3 302.418 3.233 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC2(CCC2)C1 ZINC001025261432 655986973 /nfs/dbraw/zinc/98/69/73/655986973.db2.gz VSGGYTJDVPPUPB-ZWKOTPCHSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC001025292617 655989387 /nfs/dbraw/zinc/98/93/87/655989387.db2.gz KGKANMUMVBKKIA-WOJBJXKFSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1ccccc1 ZINC001025291870 655989431 /nfs/dbraw/zinc/98/94/31/655989431.db2.gz BWZSNAOIRLXWFQ-UXHICEINSA-N 0 3 324.468 3.098 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1 ZINC001025297442 655990228 /nfs/dbraw/zinc/99/02/28/655990228.db2.gz QCNZXFDFWFHBCW-WOJBJXKFSA-N 0 3 324.468 3.396 20 30 DGEDHN C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025346087 655998126 /nfs/dbraw/zinc/99/81/26/655998126.db2.gz RAQJIMOXPVXYAX-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025346087 655998127 /nfs/dbraw/zinc/99/81/27/655998127.db2.gz RAQJIMOXPVXYAX-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC001025423737 656010122 /nfs/dbraw/zinc/01/01/22/656010122.db2.gz DHPONUPBEVDDDR-HUUCEWRRSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)oc3ccccc32)C1 ZINC001025429966 656010914 /nfs/dbraw/zinc/01/09/14/656010914.db2.gz YRQYZHRKKZNLLL-GOEBONIOSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cscc2Cl)C1 ZINC001025451459 656015354 /nfs/dbraw/zinc/01/53/54/656015354.db2.gz QSOKYNMLEFMOGT-CHWSQXEVSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC001025480670 656020959 /nfs/dbraw/zinc/02/09/59/656020959.db2.gz ZPHZBOCDZVUODK-GDBMZVCRSA-N 0 3 318.486 3.219 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C(C)C)C1 ZINC001025517815 656027558 /nfs/dbraw/zinc/02/75/58/656027558.db2.gz ALICDKYNSXITBF-HZPDHXFCSA-N 0 3 316.445 3.257 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC001025524180 656028300 /nfs/dbraw/zinc/02/83/00/656028300.db2.gz SYCAINRNUQJYOH-HUUCEWRRSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC001025525288 656028499 /nfs/dbraw/zinc/02/84/99/656028499.db2.gz ZTECWXHHBGFPEM-LSDHHAIUSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001025558950 656036583 /nfs/dbraw/zinc/03/65/83/656036583.db2.gz PWCOXNNWDIXDNK-CJNGLKHVSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001025596873 656042481 /nfs/dbraw/zinc/04/24/81/656042481.db2.gz IMXLWKWZDOKTIO-OXJNMPFZSA-N 0 3 322.452 3.110 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC001025598526 656043158 /nfs/dbraw/zinc/04/31/58/656043158.db2.gz ZXRWRJNHXBHBDW-BBRMVZONSA-N 0 3 320.383 3.088 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC001025615557 656048075 /nfs/dbraw/zinc/04/80/75/656048075.db2.gz WBTQHWVZXKUNCX-HIFRSBDPSA-N 0 3 316.470 3.089 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C(C)C)C1 ZINC001025627736 656050840 /nfs/dbraw/zinc/05/08/40/656050840.db2.gz BOGOHATUOPWFCF-HUUCEWRRSA-N 0 3 318.486 3.335 20 30 DGEDHN CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036876104 661219585 /nfs/dbraw/zinc/21/95/85/661219585.db2.gz KVFZADSLRVWLTM-OALUTQOASA-N 0 3 324.468 3.007 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000947685289 656144614 /nfs/dbraw/zinc/14/46/14/656144614.db2.gz MGSJMPNFNBEGSQ-HOCLYGCPSA-N 0 3 318.848 3.254 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001008413323 656155873 /nfs/dbraw/zinc/15/58/73/656155873.db2.gz VVZJWAZPWIRMOD-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN N#Cc1ccccc1CNC1CCC(NC(=O)C2CC=CC2)CC1 ZINC001026468716 656159983 /nfs/dbraw/zinc/15/99/83/656159983.db2.gz JSKFWROWNOLMMB-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C[C@H]1C ZINC000947690207 656178074 /nfs/dbraw/zinc/17/80/74/656178074.db2.gz RXVCWRQTMQKLSU-ZBFHGGJFSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)cc2C)C(C)(C)C1 ZINC000975006323 656249160 /nfs/dbraw/zinc/24/91/60/656249160.db2.gz KOUGTRUVKOIEOO-MRXNPFEDSA-N 0 3 318.848 3.112 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OCC)c2)C(C)(C)C1 ZINC000975085589 656255185 /nfs/dbraw/zinc/25/51/85/656255185.db2.gz REDPVNDOLBABIW-QGZVFWFLSA-N 0 3 316.445 3.102 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(CC(C)C)s2)C1 ZINC001027445802 656307668 /nfs/dbraw/zinc/30/76/68/656307668.db2.gz SJHIRMJGGLLASZ-OAHLLOKOSA-N 0 3 318.486 3.116 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001027450199 656308663 /nfs/dbraw/zinc/30/86/63/656308663.db2.gz KSBWHNRMOMXZME-FHWLQOOXSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C23CCC(CC2)C3(C)C)C(C)(C)C1 ZINC000977251453 656318624 /nfs/dbraw/zinc/31/86/24/656318624.db2.gz MLZNOOWRYQBWLS-NGEICVOHSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3cccnc3c2)C(C)(C)C1 ZINC000977357201 656324500 /nfs/dbraw/zinc/32/45/00/656324500.db2.gz RWTPYRNBZYYKLS-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001027519248 656327987 /nfs/dbraw/zinc/32/79/87/656327987.db2.gz IKMWWQZZLFOZJQ-OAHLLOKOSA-N 0 3 318.848 3.126 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977543203 656340443 /nfs/dbraw/zinc/34/04/43/656340443.db2.gz 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C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049917602 656721772 /nfs/dbraw/zinc/72/17/72/656721772.db2.gz NDGHTSKRLXUWQX-HUUCEWRRSA-N 0 3 319.474 3.015 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001028103992 656722442 /nfs/dbraw/zinc/72/24/42/656722442.db2.gz AJEBSPCLFLMJKQ-YTQUADARSA-N 0 3 312.457 3.119 20 30 DGEDHN C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1CC ZINC001049920798 656723783 /nfs/dbraw/zinc/72/37/83/656723783.db2.gz UUNBMMNIDZEETL-HOTGVXAUSA-N 0 3 316.470 3.013 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc2c1CCC2 ZINC001049926458 656725827 /nfs/dbraw/zinc/72/58/27/656725827.db2.gz PTPFTXQBWQYQFJ-MOPGFXCFSA-N 0 3 310.441 3.040 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc2c1CCC2 ZINC001049926462 656726093 /nfs/dbraw/zinc/72/60/93/656726093.db2.gz PTPFTXQBWQYQFJ-RBUKOAKNSA-N 0 3 310.441 3.040 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)C[C@H]21 ZINC001042143265 656726234 /nfs/dbraw/zinc/72/62/34/656726234.db2.gz 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C#CCN1C[C@]2(C)CN(C(=O)C[C@@H]3CCCC[C@H]3C)C[C@]2(C)C1 ZINC000982843155 657102746 /nfs/dbraw/zinc/10/27/46/657102746.db2.gz LRTYQEGVLSBDPY-BWPNAZKDSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C(C)(C)C)C2 ZINC001045948639 657102777 /nfs/dbraw/zinc/10/27/77/657102777.db2.gz NDVBTFYCHIOUKX-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1CCC(=C)CC1)C2 ZINC001045962909 657107037 /nfs/dbraw/zinc/10/70/37/657107037.db2.gz SBSWYAKSJKSJAA-FQEVSTJZSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)C1CC1)C2 ZINC001045962132 657107184 /nfs/dbraw/zinc/10/71/84/657107184.db2.gz XMRQFTIEYMRFRC-HXUWFJFHSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1csc(C)c1)C2 ZINC001045972820 657110044 /nfs/dbraw/zinc/11/00/44/657110044.db2.gz CQYDSMGGPFBFDI-SFHVURJKSA-N 0 3 316.470 3.008 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C)cc(C)c1)C2 ZINC001045981652 657112194 /nfs/dbraw/zinc/11/21/94/657112194.db2.gz 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C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)cc2F)[C@@H]1C ZINC000993856561 659796729 /nfs/dbraw/zinc/79/67/29/659796729.db2.gz CJFCCDNHBKWMSU-WMLDXEAASA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)cc2F)[C@H]1C ZINC000993856554 659797124 /nfs/dbraw/zinc/79/71/24/659797124.db2.gz CJFCCDNHBKWMSU-PBHICJAKSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccc(F)c2F)[C@@H]1C ZINC000993886331 659797693 /nfs/dbraw/zinc/79/76/93/659797693.db2.gz MLUNEVHCTYVNAZ-BBRMVZONSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccc(F)c2F)[C@H]1C ZINC000993886332 659798289 /nfs/dbraw/zinc/79/82/89/659798289.db2.gz MLUNEVHCTYVNAZ-CJNGLKHVSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(OCC)c2)[C@H]1C ZINC000993905547 659801464 /nfs/dbraw/zinc/80/14/64/659801464.db2.gz RUHYKKFDGDDVQA-QAPCUYQASA-N 0 3 316.445 3.244 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@@H]1C ZINC000993967114 659803877 /nfs/dbraw/zinc/80/38/77/659803877.db2.gz YBUIDEBTXYNVSQ-OXJNMPFZSA-N 0 3 322.452 3.252 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2scnc2C(C)C)[C@H]1C ZINC000993947877 659805143 /nfs/dbraw/zinc/80/51/43/659805143.db2.gz BKCBQAPPTUCLIT-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@@H]1C ZINC000994151310 659814613 /nfs/dbraw/zinc/81/46/13/659814613.db2.gz TZZSTXPAHLRUKM-LPHOPBHVSA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000994264544 659828071 /nfs/dbraw/zinc/82/80/71/659828071.db2.gz QXQISVXKBATRCH-BBRMVZONSA-N 0 3 306.837 3.499 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H]1C ZINC000994299896 659834941 /nfs/dbraw/zinc/83/49/41/659834941.db2.gz XXWRZBCRGBUZKT-WMZOPIPTSA-N 0 3 316.489 3.339 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H]1C ZINC000994332085 659839995 /nfs/dbraw/zinc/83/99/95/659839995.db2.gz UIMOOEPNXBHXCD-BLLLJJGKSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1C ZINC000994376424 659848290 /nfs/dbraw/zinc/84/82/90/659848290.db2.gz OTHIHDLJZJZMNU-KXBFYZLASA-N 0 3 312.457 3.334 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC000994405088 659852017 /nfs/dbraw/zinc/85/20/17/659852017.db2.gz UVPUDSBIIZPDNS-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H]1C ZINC000994503441 659864130 /nfs/dbraw/zinc/86/41/30/659864130.db2.gz FGMJOFLLZZKNOE-HNAYVOBHSA-N 0 3 312.457 3.334 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)C[C@@H]1C ZINC000947347338 659888145 /nfs/dbraw/zinc/88/81/45/659888145.db2.gz DZZLQPUKMFQVGK-RDJZCZTQSA-N 0 3 323.440 3.312 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001047265150 659928630 /nfs/dbraw/zinc/92/86/30/659928630.db2.gz XYYFTYOCWKSPSM-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1ccc(F)cc1 ZINC000068827009 659965790 /nfs/dbraw/zinc/96/57/90/659965790.db2.gz QAAKVTDYLGDLKR-IBGZPJMESA-N 0 3 310.372 3.419 20 30 DGEDHN C#CCSCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000181101237 659980554 /nfs/dbraw/zinc/98/05/54/659980554.db2.gz SSDQROBYSODNBP-SNVBAGLBSA-N 0 3 303.349 3.444 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000940743864 660062157 /nfs/dbraw/zinc/06/21/57/660062157.db2.gz DNGFKDBQYLNHIJ-HZPDHXFCSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000940765562 660062243 /nfs/dbraw/zinc/06/22/43/660062243.db2.gz TZNHPCQGKFXBSN-GFCCVEGCSA-N 0 3 312.866 3.418 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cncc(Cl)c2C)C(C)(C)C1 ZINC000940808109 660065292 /nfs/dbraw/zinc/06/52/92/660065292.db2.gz ZABRROGGDCGQHK-HNNXBMFYSA-N 0 3 321.852 3.060 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C(C)(C)C1 ZINC000940827040 660067039 /nfs/dbraw/zinc/06/70/39/660067039.db2.gz WSJPIGSORQWRJV-MRXNPFEDSA-N 0 3 322.399 3.290 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)Cc2cccc(CC)c2)C(C)(C)C1 ZINC000940846731 660069119 /nfs/dbraw/zinc/06/91/19/660069119.db2.gz HAXTVASOKQTRMR-GOSISDBHSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C(C)(C)C1 ZINC000940869329 660069388 /nfs/dbraw/zinc/06/93/88/660069388.db2.gz DMFANZNOFJMDME-QGZVFWFLSA-N 0 3 315.461 3.221 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)C(C)(C)C1 ZINC000940874012 660070926 /nfs/dbraw/zinc/07/09/26/660070926.db2.gz ANNGQTWCGAPJSE-MRXNPFEDSA-N 0 3 304.409 3.150 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)C(C)(C)C1 ZINC000940874351 660071691 /nfs/dbraw/zinc/07/16/91/660071691.db2.gz JJPQVPVAFDUJLK-HNNXBMFYSA-N 0 3 324.827 3.495 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)C(C)(C)C1 ZINC000940933445 660073376 /nfs/dbraw/zinc/07/33/76/660073376.db2.gz ZHVJBELBCKYTJV-AWEZNQCLSA-N 0 3 317.458 3.246 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C(C)(C)C1 ZINC000940978800 660075859 /nfs/dbraw/zinc/07/58/59/660075859.db2.gz DHYUODJDILJTEI-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C(C)(C)C1 ZINC000940993216 660078666 /nfs/dbraw/zinc/07/86/66/660078666.db2.gz IWYIMLHRFPLNCD-KRWDZBQOSA-N 0 3 311.429 3.184 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941015367 660079488 /nfs/dbraw/zinc/07/94/88/660079488.db2.gz NKVZTQPLSCETEW-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)C(C)(C)C1 ZINC000941043688 660081484 /nfs/dbraw/zinc/08/14/84/660081484.db2.gz DDCOWKDIIAMDAJ-KRWDZBQOSA-N 0 3 323.440 3.022 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C(C)(C)C1 ZINC000941033064 660081687 /nfs/dbraw/zinc/08/16/87/660081687.db2.gz LRRNKFPMHHVJOG-QGZVFWFLSA-N 0 3 315.461 3.221 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000941053128 660082552 /nfs/dbraw/zinc/08/25/52/660082552.db2.gz ZZXJURLDVLMNCT-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941082122 660084653 /nfs/dbraw/zinc/08/46/53/660084653.db2.gz VOEKJOAJDQLIIH-QYZOEREBSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000941097899 660086945 /nfs/dbraw/zinc/08/69/45/660086945.db2.gz VDUSIQFSOWCVLN-KRWDZBQOSA-N 0 3 316.445 3.020 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C(C)(C)C1 ZINC000941199126 660093587 /nfs/dbraw/zinc/09/35/87/660093587.db2.gz KGNGIVHSBRDNGR-QGZVFWFLSA-N 0 3 312.413 3.449 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000941183741 660094233 /nfs/dbraw/zinc/09/42/33/660094233.db2.gz HDZDMOBODASFDA-KRWDZBQOSA-N 0 3 300.446 3.320 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C(C)(C)C1 ZINC000941233601 660096421 /nfs/dbraw/zinc/09/64/21/660096421.db2.gz ZDIXSYKJBFMMGG-OHTSDLOESA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC000941229460 660096726 /nfs/dbraw/zinc/09/67/26/660096726.db2.gz AMGIFKCMYFFLOY-PBHICJAKSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000941238135 660098549 /nfs/dbraw/zinc/09/85/49/660098549.db2.gz UAFHVQGZTLJXCS-HNNXBMFYSA-N 0 3 306.475 3.002 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C(C)(C)C1 ZINC000941253002 660099211 /nfs/dbraw/zinc/09/92/11/660099211.db2.gz QHJALJDFVCIXRT-QGZVFWFLSA-N 0 3 312.413 3.449 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3occc3c2)C[C@@H]1C ZINC000947327995 660101194 /nfs/dbraw/zinc/10/11/94/660101194.db2.gz MBUFTZFARDKDNH-WMLDXEAASA-N 0 3 310.397 3.039 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000948400297 660131446 /nfs/dbraw/zinc/13/14/46/660131446.db2.gz AOCJYXLBESFRQB-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000948400298 660131465 /nfs/dbraw/zinc/13/14/65/660131465.db2.gz AOCJYXLBESFRQB-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)[C@@H](C)C1 ZINC000942056791 660133254 /nfs/dbraw/zinc/13/32/54/660133254.db2.gz IRJPMUGVAZPXRX-HOCLYGCPSA-N 0 3 315.461 3.005 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2C)[C@@H](C)C1 ZINC000942071858 660134523 /nfs/dbraw/zinc/13/45/23/660134523.db2.gz GQWVODHZDWVOPG-GUYCJALGSA-N 0 3 318.848 3.112 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)oc3ccccc32)[C@H](C)C1 ZINC000942078638 660135447 /nfs/dbraw/zinc/13/54/47/660135447.db2.gz ADSJDMKEAOVBKI-CZUORRHYSA-N 0 3 312.413 3.367 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3nc2C)[C@@H](C)C1 ZINC000942099145 660137104 /nfs/dbraw/zinc/13/71/04/660137104.db2.gz HCPXBOOOHPERPA-KBXCAEBGSA-N 0 3 323.440 3.169 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H](C)C1 ZINC000942135396 660139644 /nfs/dbraw/zinc/13/96/44/660139644.db2.gz VUUQHGSFXRQWQI-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(-c3ccco3)o2)[C@@H](C)C1 ZINC000942430647 660152321 /nfs/dbraw/zinc/15/23/21/660152321.db2.gz JLIHYBXGSBVMIV-UONOGXRCSA-N 0 3 314.385 3.166 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000942518128 660154191 /nfs/dbraw/zinc/15/41/91/660154191.db2.gz MZSMZIOEDSQDBG-PBHICJAKSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)cc2Cl)[C@H](C)C1 ZINC000942560085 660158426 /nfs/dbraw/zinc/15/84/26/660158426.db2.gz KWBNZGJHTFHARD-RHSMWYFYSA-N 0 3 318.848 3.030 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000942599653 660164244 /nfs/dbraw/zinc/16/42/44/660164244.db2.gz CEENZYCGLQVBEJ-YOEHRIQHSA-N 0 3 318.848 3.112 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)[C@@H](C)C1 ZINC000942602062 660164765 /nfs/dbraw/zinc/16/47/65/660164765.db2.gz CIZYYZFTKWWGJM-ZFWWWQNUSA-N 0 3 306.837 3.275 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c3ccccc23)[C@H](C)C1 ZINC000942937879 660173278 /nfs/dbraw/zinc/17/32/78/660173278.db2.gz JLJVHMZSCGGEPC-KUHUBIRLSA-N 0 3 324.399 3.052 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)[C@@H](C)C1 ZINC000942959047 660174084 /nfs/dbraw/zinc/17/40/84/660174084.db2.gz JGZPFRLCBDBNJY-XHDPSFHLSA-N 0 3 310.800 3.105 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c3ccccc23)[C@H](C)C1 ZINC000943209350 660181999 /nfs/dbraw/zinc/18/19/99/660181999.db2.gz QFHUZJXRCGLRSP-UZLBHIALSA-N 0 3 320.436 3.222 20 30 DGEDHN COc1ccccc1C[C@H]1CCCN1Cc1cncc(C#N)c1 ZINC000929415555 661304849 /nfs/dbraw/zinc/30/48/49/661304849.db2.gz RMTCLKZTOUJPLC-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN COc1ccc([C@H](CO)N(C)Cc2c(C)cc(C#N)cc2C)cc1 ZINC000929640089 661323407 /nfs/dbraw/zinc/32/34/07/661323407.db2.gz VGMIZKKPWLUGQM-FQEVSTJZSA-N 0 3 324.424 3.349 20 30 DGEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CCC(C#N)CC2)CC1 ZINC000929986172 661355714 /nfs/dbraw/zinc/35/57/14/661355714.db2.gz IAAGXKUIFNNXAO-AFMYVXGZSA-N 0 3 322.456 3.199 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN(C)[C@H](C)c2cccnc2)cc1 ZINC000930119530 661368229 /nfs/dbraw/zinc/36/82/29/661368229.db2.gz OQUNLGDQMUQDID-OAHLLOKOSA-N 0 3 307.397 3.085 20 30 DGEDHN CC(C)(C)OC(=O)CN(CC1CC1)CC1CCC(C#N)CC1 ZINC000930854604 661434630 /nfs/dbraw/zinc/43/46/30/661434630.db2.gz VGKFEWIJAMUXAB-UHFFFAOYSA-N 0 3 306.450 3.370 20 30 DGEDHN Cc1ccc(C#N)cc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000930979982 661443125 /nfs/dbraw/zinc/44/31/25/661443125.db2.gz HMHMXUPKMKEXNE-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN N#Cc1ccccc1NC1CCN(CCc2ccns2)CC1 ZINC000931031418 661446561 /nfs/dbraw/zinc/44/65/61/661446561.db2.gz BLUYEDFABPSVJO-UHFFFAOYSA-N 0 3 312.442 3.134 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H]1CCc2cccc3cccc1c32 ZINC000931808737 661511430 /nfs/dbraw/zinc/51/14/30/661511430.db2.gz KLGLNIKSPJTLIS-SFHVURJKSA-N 0 3 321.424 3.179 20 30 DGEDHN FC(F)(F)OCCCN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911636 661520956 /nfs/dbraw/zinc/52/09/56/661520956.db2.gz ZMQWGYSWJJBZJS-MRVPVSSYSA-N 0 3 309.225 3.279 20 30 DGEDHN Cc1nc([C@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)no1 ZINC000931943619 661524854 /nfs/dbraw/zinc/52/48/54/661524854.db2.gz FABGJPYLSCGCHZ-HNNXBMFYSA-N 0 3 310.401 3.169 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(CC(C)C)s2)CC1 ZINC000932144007 661542233 /nfs/dbraw/zinc/54/22/33/661542233.db2.gz KRSMZYHTWBEJOL-UHFFFAOYSA-N 0 3 306.475 3.327 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN[C@H](c2ccccn2)C2CC2)cc1 ZINC000932382909 661564871 /nfs/dbraw/zinc/56/48/71/661564871.db2.gz UMNFTERPXBEIDU-IBGZPJMESA-N 0 3 320.396 3.023 20 30 DGEDHN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000932567083 661580870 /nfs/dbraw/zinc/58/08/70/661580870.db2.gz LFZJBWLCFZRMRW-DEYYWGMASA-N 0 3 319.424 3.228 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000932714219 661593509 /nfs/dbraw/zinc/59/35/09/661593509.db2.gz AHBKWDRTSSLYFG-UHFFFAOYSA-N 0 3 324.465 3.055 20 30 DGEDHN FC1(F)[C@@H]2CN(CC3CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932940381 661610776 /nfs/dbraw/zinc/61/07/76/661610776.db2.gz FDEUEKTUXVVWKD-HTQZYQBOSA-N 0 3 323.227 3.499 20 30 DGEDHN C[C@@H](CCC#N)N1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933069006 661615440 /nfs/dbraw/zinc/61/54/40/661615440.db2.gz KTEZZLDXCBDSET-HOCLYGCPSA-N 0 3 300.402 3.029 20 30 DGEDHN C#CCC1(NCC(=O)Nc2ccccc2SCC=C)CCC1 ZINC000933301877 661628406 /nfs/dbraw/zinc/62/84/06/661628406.db2.gz AGPISUZUSXAGQO-UHFFFAOYSA-N 0 3 314.454 3.439 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cccc3ncccc32)CCC1 ZINC000933300490 661628476 /nfs/dbraw/zinc/62/84/76/661628476.db2.gz GMCZVUFGMDFELK-AWEZNQCLSA-N 0 3 307.397 3.097 20 30 DGEDHN CC(C)(C#N)c1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647775 661647760 /nfs/dbraw/zinc/64/77/60/661647760.db2.gz HEGVNEYLGNYEAD-UHFFFAOYSA-N 0 3 324.424 3.325 20 30 DGEDHN COC(=O)[C@H]1CCCC[C@H]1CN(C)Cc1cc(C#N)cs1 ZINC000933771041 661656650 /nfs/dbraw/zinc/65/66/50/661656650.db2.gz VGEUSBCJRMXMGZ-ZFWWWQNUSA-N 0 3 306.431 3.031 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)Cc1cc(C#N)cs1 ZINC000933776038 661657336 /nfs/dbraw/zinc/65/73/36/661657336.db2.gz XNPNYEMMOIQEOY-UHFFFAOYSA-N 0 3 311.410 3.392 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cc3ccccc3c(OC)c2)C1=O ZINC000934637352 661721181 /nfs/dbraw/zinc/72/11/81/661721181.db2.gz ZRKSBUQQHICVFG-KBXCAEBGSA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(CCC)s2)C[C@H]1C ZINC000947356633 661904305 /nfs/dbraw/zinc/90/43/05/661904305.db2.gz OJLVFWWWKFHSHI-HUUCEWRRSA-N 0 3 318.486 3.307 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C[C@H]1C ZINC000947399792 661907072 /nfs/dbraw/zinc/90/70/72/661907072.db2.gz KTODYMUKHSXWLD-NVXWUHKLSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C[C@H]1C ZINC000947411305 661907648 /nfs/dbraw/zinc/90/76/48/661907648.db2.gz GDZOWGXZAOJKHC-NXWXRZEISA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2CC)C[C@H]1C ZINC000947498064 661911829 /nfs/dbraw/zinc/91/18/29/661911829.db2.gz OEFRRJZMOVUTKT-CJNGLKHVSA-N 0 3 304.409 3.157 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C[C@@H]1C ZINC000947603255 661920065 /nfs/dbraw/zinc/92/00/65/661920065.db2.gz QVIMMNRJHDHCGE-DOTOQJQBSA-N 0 3 323.440 3.082 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C[C@@H]1C ZINC000947619525 661921214 /nfs/dbraw/zinc/92/12/14/661921214.db2.gz IJJJRKWSFHBXAQ-GOEBONIOSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)C[C@H]1C ZINC000947693483 661925439 /nfs/dbraw/zinc/92/54/39/661925439.db2.gz NKORAVQZHMQUHM-KGLIPLIRSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2csc(C(C)(C)C)n2)C[C@H]1C ZINC000947809760 661933002 /nfs/dbraw/zinc/93/30/02/661933002.db2.gz FRUMKRCOQKNSGK-OLZOCXBDSA-N 0 3 321.490 3.209 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(C(C)(C)C)n2)C[C@H]1C ZINC000947809759 661933048 /nfs/dbraw/zinc/93/30/48/661933048.db2.gz FRUMKRCOQKNSGK-CHWSQXEVSA-N 0 3 321.490 3.209 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)C[C@H]1C ZINC000947827843 661933292 /nfs/dbraw/zinc/93/32/92/661933292.db2.gz ALBIJSXCOODDMA-GDBMZVCRSA-N 0 3 318.848 3.254 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C[C@@H]1C ZINC000948071313 661947780 /nfs/dbraw/zinc/94/77/80/661947780.db2.gz WVQMTDVOTXEODJ-PKOBYXMFSA-N 0 3 324.468 3.019 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@@H]1C ZINC000948074033 661947985 /nfs/dbraw/zinc/94/79/85/661947985.db2.gz PVGDAEKRCYPBEB-LSDHHAIUSA-N 0 3 302.418 3.009 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C[C@@H]1C ZINC000948082866 661949596 /nfs/dbraw/zinc/94/95/96/661949596.db2.gz JQOGENGFLNAMEN-BQTPPKLHSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)C[C@@H]1C ZINC000948091255 661950322 /nfs/dbraw/zinc/95/03/22/661950322.db2.gz WFQVCBUTGQRFDX-GXTWGEPZSA-N 0 3 315.392 3.076 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)s2)CC1 ZINC000948153037 661955456 /nfs/dbraw/zinc/95/54/56/661955456.db2.gz YKYLBKWJNIWXRG-HNNXBMFYSA-N 0 3 304.459 3.006 20 30 DGEDHN CC(C)C(=O)N(C)[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000948200797 661959658 /nfs/dbraw/zinc/95/96/58/661959658.db2.gz QVNVJLRWOGTMSO-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C2=CCCCCC2)CC1 ZINC000948312301 661968133 /nfs/dbraw/zinc/96/81/33/661968133.db2.gz CVZNOGFBWOCTBO-GOSISDBHSA-N 0 3 302.462 3.213 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C)cs2)CC1 ZINC000948356588 661970555 /nfs/dbraw/zinc/97/05/55/661970555.db2.gz CDCBMJZNNLBESU-HNNXBMFYSA-N 0 3 304.459 3.006 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccc(F)cc2F)CC1 ZINC001006431769 661978514 /nfs/dbraw/zinc/97/85/14/661978514.db2.gz QIJJMFPPVAELBI-CYBMUJFWSA-N 0 3 322.399 3.177 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C(F)F)cc2)CC1 ZINC000948856382 662003172 /nfs/dbraw/zinc/00/31/72/662003172.db2.gz HMCJVTXNUUFOIC-MRXNPFEDSA-N 0 3 320.383 3.184 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948950595 662009040 /nfs/dbraw/zinc/00/90/40/662009040.db2.gz LVQSNKOWXJOCHL-ATZDWAIDSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000948960781 662009515 /nfs/dbraw/zinc/00/95/15/662009515.db2.gz HBHUMZGSLXJWDV-ATZDWAIDSA-N 0 3 312.457 3.324 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000948966052 662010344 /nfs/dbraw/zinc/01/03/44/662010344.db2.gz UUXGHHLILDOSBR-MOPGFXCFSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000948965363 662010393 /nfs/dbraw/zinc/01/03/93/662010393.db2.gz JKGHCCYIZBGDMY-OALUTQOASA-N 0 3 324.468 3.468 20 30 DGEDHN C#CCN(C)C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000192237899 662092807 /nfs/dbraw/zinc/09/28/07/662092807.db2.gz YYANTOWVWAUJON-TZIWHRDSSA-N 0 3 323.436 3.027 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)OC)cc1 ZINC000195492190 662190712 /nfs/dbraw/zinc/19/07/12/662190712.db2.gz CYHBHKIWJONOLS-CZUORRHYSA-N 0 3 316.401 3.102 20 30 DGEDHN CC[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000246145394 662248559 /nfs/dbraw/zinc/24/85/59/662248559.db2.gz BPCOOAAPUSGGTQ-SJORKVTESA-N 0 3 313.445 3.362 20 30 DGEDHN CC[C@@H](C#N)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719960391 662299613 /nfs/dbraw/zinc/29/96/13/662299613.db2.gz VZQZHBBUUCUJFR-ZWKOTPCHSA-N 0 3 313.445 3.049 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)c(F)c2)CC1 ZINC000948599540 685332071 /nfs/dbraw/zinc/33/20/71/685332071.db2.gz SXKQVJPQNCOMLI-KRWDZBQOSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3cc4occc4s3)C2)C1 ZINC000982009012 685341585 /nfs/dbraw/zinc/34/15/85/685341585.db2.gz WXLWEODTNHPCFK-UHFFFAOYSA-N 0 3 316.426 3.218 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCc3ccsc3)C[C@H]2C)cc1 ZINC000989280349 685356617 /nfs/dbraw/zinc/35/66/17/685356617.db2.gz GVSKXFZFAQOCFE-KDOFPFPSSA-N 0 3 324.449 3.122 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)C3CCC(C)(C)CC3)CCC[C@H]12 ZINC000992555288 685358873 /nfs/dbraw/zinc/35/88/73/685358873.db2.gz ZEKLYWWRUGHJOJ-PXNSSMCTSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001023650488 685373709 /nfs/dbraw/zinc/37/37/09/685373709.db2.gz XGRSNONZJDYMOC-CYBMUJFWSA-N 0 3 321.490 3.068 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001028283991 685379516 /nfs/dbraw/zinc/37/95/16/685379516.db2.gz VBOTWGKFPZOZAF-AZRLCKCBSA-N 0 3 316.489 3.360 20 30 DGEDHN C#CCN(C)CCCNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000392880849 685216208 /nfs/dbraw/zinc/21/62/08/685216208.db2.gz HTSTUNAGCDADOE-JUNHRQJPSA-N 0 3 316.489 3.054 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2F)CC[C@@H]1C ZINC001071528246 686680354 /nfs/dbraw/zinc/68/03/54/686680354.db2.gz QXYOXJLQOKCKPF-LSDHHAIUSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cccc2C)CC[C@H]1C ZINC001071543530 686684991 /nfs/dbraw/zinc/68/49/91/686684991.db2.gz MPJCONQJNJNSEA-SJORKVTESA-N 0 3 300.446 3.001 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2scnc2CC)CC[C@@H]1C ZINC001071551825 686686775 /nfs/dbraw/zinc/68/67/75/686686775.db2.gz FEJNQNJTVAVWEM-UONOGXRCSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C(C)C)n2)CC[C@H]1C ZINC001071652961 686713460 /nfs/dbraw/zinc/71/34/60/686713460.db2.gz QRQRRAKWXJPYJM-CVEARBPZSA-N 0 3 315.461 3.364 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)oc(C)c2C)CC[C@H]1C ZINC001071666692 686718737 /nfs/dbraw/zinc/71/87/37/686718737.db2.gz PDMMTHBAWGCKHF-WBMJQRKESA-N 0 3 304.434 3.364 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3ncccc32)CC[C@@H]1C ZINC001071722656 686732662 /nfs/dbraw/zinc/73/26/62/686732662.db2.gz YOLYXJKTLHAIIU-HOTGVXAUSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2CCC)CC[C@H]1C ZINC001071763795 686743703 /nfs/dbraw/zinc/74/37/03/686743703.db2.gz YTLLOGGYYDFVCC-CABCVRRESA-N 0 3 303.450 3.126 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001071762777 686744059 /nfs/dbraw/zinc/74/40/59/686744059.db2.gz QEYKIHATDGGCQQ-HUUCEWRRSA-N 0 3 302.418 3.009 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2nccc3ccccc32)CC[C@@H]1C ZINC001071776633 686748491 /nfs/dbraw/zinc/74/84/91/686748491.db2.gz WLWHMIIUCXEFOU-RDJZCZTQSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1C ZINC001071779191 686750483 /nfs/dbraw/zinc/75/04/83/686750483.db2.gz GAKGSMJEKPVWOQ-GXTWGEPZSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@@H]1C ZINC001071791870 686754498 /nfs/dbraw/zinc/75/44/98/686754498.db2.gz BHPBLWFQLGRXDC-WMZOPIPTSA-N 0 3 300.446 3.001 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(Cl)c2)CC[C@@H]1C ZINC001071791814 686754801 /nfs/dbraw/zinc/75/48/01/686754801.db2.gz ASRHGGGLYZVCKL-XJKSGUPXSA-N 0 3 306.837 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)cc(F)c2)CC[C@H]1C ZINC001071839247 686767060 /nfs/dbraw/zinc/76/70/60/686767060.db2.gz CTBVRGXHIPWKPA-PBHICJAKSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2F)CC[C@@H]1C ZINC001071841498 686767423 /nfs/dbraw/zinc/76/74/23/686767423.db2.gz WYMSHWVZXWIJGI-LSDHHAIUSA-N 0 3 304.409 3.293 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)ccc2Cl)CC[C@@H]1C ZINC001071844115 686768313 /nfs/dbraw/zinc/76/83/13/686768313.db2.gz HWASLPHRUZSCGC-GXTWGEPZSA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(F)ccc2Cl)CC[C@@H]1C ZINC001071844116 686768694 /nfs/dbraw/zinc/76/86/94/686768694.db2.gz HWASLPHRUZSCGC-JSGCOSHPSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OC)c2C)CC[C@@H]1C ZINC001071846725 686770577 /nfs/dbraw/zinc/77/05/77/686770577.db2.gz DTEMGUHXZWFAIK-HOCLYGCPSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)CC[C@@H]1C ZINC001071852274 686772509 /nfs/dbraw/zinc/77/25/09/686772509.db2.gz XXGDHUYEEKPGLZ-YOEHRIQHSA-N 0 3 311.429 3.327 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2csc(Cl)c2)CC[C@@H]1C ZINC001071868399 686776338 /nfs/dbraw/zinc/77/63/38/686776338.db2.gz JEDNWZXJDLJALF-AAEUAGOBSA-N 0 3 310.850 3.008 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccsc2Cl)CC[C@@H]1C ZINC001071873537 686777259 /nfs/dbraw/zinc/77/72/59/686777259.db2.gz YINIBARUYHLGJU-RYUDHWBXSA-N 0 3 310.850 3.008 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccsc2C)CC[C@@H]1C ZINC001071871234 686777281 /nfs/dbraw/zinc/77/72/81/686777281.db2.gz HFHBFAJZZYRJIN-XJKSGUPXSA-N 0 3 306.475 3.144 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sc(C)cc2OC)CC[C@H]1C ZINC001071869957 686777563 /nfs/dbraw/zinc/77/75/63/686777563.db2.gz WUEXNMWHIXXCOK-OCCSQVGLSA-N 0 3 322.474 3.224 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2oc(C(C)C)nc2C)CC[C@H]1C ZINC001071883469 686781054 /nfs/dbraw/zinc/78/10/54/686781054.db2.gz LTLGOAKRTVMLFC-UKRRQHHQSA-N 0 3 319.449 3.265 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc3ccccc3c2)CC[C@@H]1C ZINC001072019588 686824806 /nfs/dbraw/zinc/82/48/06/686824806.db2.gz LPMKAVVXCWNBSS-OXJNMPFZSA-N 0 3 320.436 3.446 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc3[nH]ccc3s2)CC[C@@H]1C ZINC001072030865 686832676 /nfs/dbraw/zinc/83/26/76/686832676.db2.gz XCAVUVIXFKPRQS-QWHCGFSZSA-N 0 3 317.458 3.388 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2sc(C)cc2C)CC[C@H]1C ZINC001072033182 686833977 /nfs/dbraw/zinc/83/39/77/686833977.db2.gz KQULJCYDXGCBEO-ZBFHGGJFSA-N 0 3 320.502 3.453 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@H]1C ZINC001072038024 686837278 /nfs/dbraw/zinc/83/72/78/686837278.db2.gz ZAJPAUQRONKVEY-RHSMWYFYSA-N 0 3 313.445 3.118 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C ZINC001072039776 686838033 /nfs/dbraw/zinc/83/80/33/686838033.db2.gz 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C=CCN1CCC2(CN(C(=O)CCc3cc(Cl)cs3)C2)C1 ZINC001073021827 687000769 /nfs/dbraw/zinc/00/07/69/687000769.db2.gz PIVQMAXFBLFRBZ-UHFFFAOYSA-N 0 3 324.877 3.054 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)C2)C1 ZINC001073035310 687004648 /nfs/dbraw/zinc/00/46/48/687004648.db2.gz CGRKYGRWXDDJIZ-LPHOPBHVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)C3CCCCC3)C2)C1 ZINC001073055153 687006542 /nfs/dbraw/zinc/00/65/42/687006542.db2.gz YTMNEJJIJZUOSR-INIZCTEOSA-N 0 3 304.478 3.313 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(CC(C)C)cc3)C2)C1 ZINC001073416559 687191188 /nfs/dbraw/zinc/19/11/88/687191188.db2.gz OBQDXCAACHVEKB-UHFFFAOYSA-N 0 3 324.468 3.056 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3c[nH]cc3-c3ccccc3)C2)C1 ZINC001073429708 687192289 /nfs/dbraw/zinc/19/22/89/687192289.db2.gz PVUUSGYSINXZQQ-UHFFFAOYSA-N 0 3 321.424 3.016 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3sc(C)cc3C)[C@@H]2C1 ZINC001075836620 687448279 /nfs/dbraw/zinc/44/82/79/687448279.db2.gz 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C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001588647972 1192452269 /nfs/dbraw/zinc/45/22/69/1192452269.db2.gz FEUKPAOMUFQZIO-SOLBZPMBSA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001588647972 1192452273 /nfs/dbraw/zinc/45/22/73/1192452273.db2.gz FEUKPAOMUFQZIO-SOLBZPMBSA-N 0 3 323.444 3.291 20 30 DGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001588647972 1192452274 /nfs/dbraw/zinc/45/22/74/1192452274.db2.gz FEUKPAOMUFQZIO-SOLBZPMBSA-N 0 3 323.444 3.291 20 30 DGEDHN CC(C)(CC#N)C[NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589266960 1192462721 /nfs/dbraw/zinc/46/27/21/1192462721.db2.gz DMFRIZIAFQWOLY-MRXNPFEDSA-N 0 3 324.432 3.164 20 30 DGEDHN CC(C)(CC#N)C[NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589266960 1192462723 /nfs/dbraw/zinc/46/27/23/1192462723.db2.gz DMFRIZIAFQWOLY-MRXNPFEDSA-N 0 3 324.432 3.164 20 30 DGEDHN N#Cc1ccc(CNCc2ccnn2-c2ccncc2)cc1Cl ZINC001620913474 1192592424 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C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1cccs1 ZINC001691059690 1176284013 /nfs/dbraw/zinc/28/40/13/1176284013.db2.gz YTEYMAAJNGZJLU-CABCVRRESA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC001691060871 1176285139 /nfs/dbraw/zinc/28/51/39/1176285139.db2.gz AOECAVWOPKQEKM-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001691070082 1176292733 /nfs/dbraw/zinc/29/27/33/1176292733.db2.gz VHKDRVXGSNYYPA-IBGZPJMESA-N 0 3 312.457 3.222 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001691068971 1176293153 /nfs/dbraw/zinc/29/31/53/1176293153.db2.gz SZNIKPAKHCENPA-ROUKRRSUSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@H](C)F)CCCC1 ZINC001691074507 1176296177 /nfs/dbraw/zinc/29/61/77/1176296177.db2.gz BSMCZTSISJVOTQ-HOTGVXAUSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001700061156 1176314268 /nfs/dbraw/zinc/31/42/68/1176314268.db2.gz QAUTWSKMHGHZQW-HIFRSBDPSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001691110409 1176319634 /nfs/dbraw/zinc/31/96/34/1176319634.db2.gz NZPYPBWRQUHZBZ-RLLQIKCJSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2cc(C)ccc2C)C1 ZINC001691111437 1176320509 /nfs/dbraw/zinc/32/05/09/1176320509.db2.gz ILMUIOBCZIFTQH-WOVMCDHWSA-N 0 3 320.864 3.083 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001266876042 1176367655 /nfs/dbraw/zinc/36/76/55/1176367655.db2.gz FIMBSMXLTRYETE-WMZOPIPTSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)CC)C1 ZINC001691199956 1176381389 /nfs/dbraw/zinc/38/13/89/1176381389.db2.gz LWHSAOCMSRXWLM-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001691196680 1176384137 /nfs/dbraw/zinc/38/41/37/1176384137.db2.gz ZMVWGGMNSOSIDD-UHFFFAOYSA-N 0 3 324.424 3.412 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](CC)c1ccc(F)cc1)C1CC1 ZINC001691236378 1176407464 /nfs/dbraw/zinc/40/74/64/1176407464.db2.gz CASRLIRATUURIS-SFHVURJKSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1C ZINC001691416362 1176476019 /nfs/dbraw/zinc/47/60/19/1176476019.db2.gz ILABGFOJKNFMNR-HKUYNNGSSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001691417035 1176477070 /nfs/dbraw/zinc/47/70/70/1176477070.db2.gz SSARLOOZKHMWNE-IUODEOHRSA-N 0 3 321.490 3.261 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001480917503 1176513509 /nfs/dbraw/zinc/51/35/09/1176513509.db2.gz NLMHURASBNIILR-OAHLLOKOSA-N 0 3 318.461 3.407 20 30 DGEDHN C=CCCC(=O)N1CCc2sc(CNCCC(=C)C)nc2C1 ZINC001750932844 1176566079 /nfs/dbraw/zinc/56/60/79/1176566079.db2.gz BLCHZJGQYRIJKG-UHFFFAOYSA-N 0 3 319.474 3.050 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001750937600 1176568939 /nfs/dbraw/zinc/56/89/39/1176568939.db2.gz TURXAGPMRIBICQ-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001754512057 1176596857 /nfs/dbraw/zinc/59/68/57/1176596857.db2.gz CLHMZDYWHSRFRF-UHFFFAOYSA-N 0 3 318.848 3.272 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001754557808 1176604016 /nfs/dbraw/zinc/60/40/16/1176604016.db2.gz NWVHPBJNBSKEEO-IBGZPJMESA-N 0 3 304.478 3.295 20 30 DGEDHN C#CCCCC(=O)N1CCC(C)(NC/C(Cl)=C\Cl)CC1 ZINC001755126975 1176741607 /nfs/dbraw/zinc/74/16/07/1176741607.db2.gz AAGDCWFGDXSZOE-ACCUITESSA-N 0 3 317.260 3.080 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2oc(C)cc2C)CC1 ZINC001752433570 1176809462 /nfs/dbraw/zinc/80/94/62/1176809462.db2.gz LRDRPOKJVJFYQN-UHFFFAOYSA-N 0 3 316.445 3.236 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](CC)Cc2ccccc2)CC1 ZINC001671428521 1176843902 /nfs/dbraw/zinc/84/39/02/1176843902.db2.gz CBHSKYGCFRGOPG-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)c1F ZINC001755254015 1176872570 /nfs/dbraw/zinc/87/25/70/1176872570.db2.gz LSJJYQHLLVHLJA-STQMWFEESA-N 0 3 324.827 3.121 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]2CN(CC#CC)CC[C@H]21 ZINC001752704898 1177031934 /nfs/dbraw/zinc/03/19/34/1177031934.db2.gz HOAPXXFNSVRYRB-RBUKOAKNSA-N 0 3 314.473 3.091 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001752787274 1177081217 /nfs/dbraw/zinc/08/12/17/1177081217.db2.gz KJNSAUUSKQVMHW-ZDUSSCGKSA-N 0 3 320.399 3.369 20 30 DGEDHN CC[C@H](CC(C)C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001691546797 1177308508 /nfs/dbraw/zinc/30/85/08/1177308508.db2.gz YSPPDMNTQZHKRN-CQSZACIVSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(CCCF)C[C@H]1c1ccccc1 ZINC001691554115 1177311668 /nfs/dbraw/zinc/31/16/68/1177311668.db2.gz VJNVIVRHPGVREF-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)(C)CC)C1 ZINC001670922269 1177543964 /nfs/dbraw/zinc/54/39/64/1177543964.db2.gz AUPMEMYRPWWJKV-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001671694729 1177566664 /nfs/dbraw/zinc/56/66/64/1177566664.db2.gz WOKPXIGGTFJYGM-HNAYVOBHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(C2CC2)C2CC2)C1 ZINC001691660030 1177601588 /nfs/dbraw/zinc/60/15/88/1177601588.db2.gz WFWLZJPSHKXEJZ-SWLSCSKDSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001691660867 1177604002 /nfs/dbraw/zinc/60/40/02/1177604002.db2.gz HWUPFXAPJLVJJA-KRWDZBQOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1F ZINC001691661302 1177604857 /nfs/dbraw/zinc/60/48/57/1177604857.db2.gz QABLNLVYRRCNEC-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001691684288 1177685258 /nfs/dbraw/zinc/68/52/58/1177685258.db2.gz YOGRLZHKMVGUAB-QGZVFWFLSA-N 0 3 304.409 3.269 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001671084775 1177774503 /nfs/dbraw/zinc/77/45/03/1177774503.db2.gz HJIWJZSGNOAXBN-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)C2(C)CCCCCC2)CC1 ZINC001227840441 1178076405 /nfs/dbraw/zinc/07/64/05/1178076405.db2.gz JDBQOJSYBRMVIA-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1sc(C)cc1Br ZINC001331287007 1178174725 /nfs/dbraw/zinc/17/47/25/1178174725.db2.gz FOEJDZHZUUOSKS-JTQLQIEISA-N 0 3 304.253 3.236 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](CNCc1cncs1)C1CC1 ZINC001331324266 1178184744 /nfs/dbraw/zinc/18/47/44/1178184744.db2.gz JQZCCHXVDBPAJF-RDJZCZTQSA-N 0 3 321.490 3.072 20 30 DGEDHN CCNc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC001331381101 1178199942 /nfs/dbraw/zinc/19/99/42/1178199942.db2.gz PGGZOXYDXVTJRI-IHRRRGAJSA-N 0 3 314.433 3.190 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001331625650 1178263090 /nfs/dbraw/zinc/26/30/90/1178263090.db2.gz CESONEOFWUPTHW-AWEZNQCLSA-N 0 3 318.486 3.090 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001332010305 1178334475 /nfs/dbraw/zinc/33/44/75/1178334475.db2.gz AUDVJHPAODTMEX-OXQOHEQNSA-N 0 3 324.468 3.099 20 30 DGEDHN CC(C)(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC001332077088 1178352861 /nfs/dbraw/zinc/35/28/61/1178352861.db2.gz LYJGUOIBRATEBL-HNNXBMFYSA-N 0 3 305.397 3.473 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCc3ccc(C)cc3)CCC[C@H]12 ZINC001332108645 1178361450 /nfs/dbraw/zinc/36/14/50/1178361450.db2.gz CGJDMIPLDLMVSP-PZJWPPBQSA-N 0 3 324.468 3.064 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H](NCc2cccnc2)C(C)(C)C1 ZINC001332414441 1178441176 /nfs/dbraw/zinc/44/11/76/1178441176.db2.gz XXXGERCXXWMBAM-RDJZCZTQSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C(C)C ZINC001332711247 1178479567 /nfs/dbraw/zinc/47/95/67/1178479567.db2.gz PDCHSGMYYNXEGP-DLBZAZTESA-N 0 3 318.486 3.044 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1scnc1Cl)C(C)C ZINC001332741022 1178490374 /nfs/dbraw/zinc/49/03/74/1178490374.db2.gz RLHPLKUQZXWBKN-UHFFFAOYSA-N 0 3 315.870 3.155 20 30 DGEDHN C=CCCC(=O)NCC1=CCN(Cc2ccc(CC)cc2)CC1 ZINC001333304735 1178585397 /nfs/dbraw/zinc/58/53/97/1178585397.db2.gz OYPBLRBKSJSZHG-UHFFFAOYSA-N 0 3 312.457 3.464 20 30 DGEDHN CC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC001335466958 1178914853 /nfs/dbraw/zinc/91/48/53/1178914853.db2.gz OQVJZWJYSWLLOZ-MRXNPFEDSA-N 0 3 308.385 3.023 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1OC ZINC001341539249 1179025575 /nfs/dbraw/zinc/02/55/75/1179025575.db2.gz NVNNGJYZSMSCDE-IAGOWNOFSA-N 0 3 316.445 3.432 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC001341566988 1179028779 /nfs/dbraw/zinc/02/87/79/1179028779.db2.gz JXKBKRJQNTYQKO-MRXNPFEDSA-N 0 3 310.401 3.074 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001341609244 1179037730 /nfs/dbraw/zinc/03/77/30/1179037730.db2.gz HYHWPBBCGPFJST-IKGGRYGDSA-N 0 3 310.482 3.092 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001341609246 1179037815 /nfs/dbraw/zinc/03/78/15/1179037815.db2.gz HYHWPBBCGPFJST-IXDOHACOSA-N 0 3 310.482 3.092 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCC2(F)F)c1 ZINC001341940951 1179083151 /nfs/dbraw/zinc/08/31/51/1179083151.db2.gz VQIVQXKBZNSNJA-TZMCWYRMSA-N 0 3 320.339 3.468 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1ccccc1Cl ZINC001342166678 1179112754 /nfs/dbraw/zinc/11/27/54/1179112754.db2.gz QZURSIATVJVHPH-CYBMUJFWSA-N 0 3 301.777 3.273 20 30 DGEDHN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1cccc(F)n1 ZINC001342610520 1179160468 /nfs/dbraw/zinc/16/04/68/1179160468.db2.gz MYXIBVPHQJKDHN-LBPRGKRZSA-N 0 3 309.275 3.398 20 30 DGEDHN N#CC(C(=O)C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644707 1179165691 /nfs/dbraw/zinc/16/56/91/1179165691.db2.gz YGXFKHGCCNXAQT-WMADIVHISA-N 0 3 302.330 3.437 20 30 DGEDHN C=CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001342709821 1179177232 /nfs/dbraw/zinc/17/72/32/1179177232.db2.gz UMFCQWQHNLEVJK-OAHLLOKOSA-N 0 3 304.409 3.119 20 30 DGEDHN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1cccc(F)n1 ZINC001343313244 1179254199 /nfs/dbraw/zinc/25/41/99/1179254199.db2.gz XXTXEDRFYMGPQY-VIFPVBQESA-N 0 3 309.222 3.125 20 30 DGEDHN C[C@@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC001343336435 1179259283 /nfs/dbraw/zinc/25/92/83/1179259283.db2.gz QFLJZUZPVKABJZ-CJNGLKHVSA-N 0 3 314.385 3.072 20 30 DGEDHN N#CC(C(=O)C1CC(F)(F)C1)c1nccn1Cc1ccccc1 ZINC001343704808 1179319565 /nfs/dbraw/zinc/31/95/65/1179319565.db2.gz MIKGNCQUTFXZAD-CQSZACIVSA-N 0 3 315.323 3.153 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCc2cccc(OCC(F)(F)F)n2)C1 ZINC001343995644 1179361013 /nfs/dbraw/zinc/36/10/13/1179361013.db2.gz YHCNQBGJDZVHIU-RYUDHWBXSA-N 0 3 313.323 3.195 20 30 DGEDHN Cc1nnc(-c2ccc(C(=O)C(C#N)c3cccc(F)n3)cc2)o1 ZINC001344023972 1179366837 /nfs/dbraw/zinc/36/68/37/1179366837.db2.gz TZVWYJOSADVDCE-CYBMUJFWSA-N 0 3 322.299 3.069 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCn1ccc2ccccc21 ZINC001344321953 1179413158 /nfs/dbraw/zinc/41/31/58/1179413158.db2.gz FHVQHKCAGULQLK-HNNXBMFYSA-N 0 3 306.369 3.124 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1c(F)cc(OC)cc1Cl ZINC001344864831 1179488886 /nfs/dbraw/zinc/48/88/86/1179488886.db2.gz VXVSBODMTCUCDC-SNVBAGLBSA-N 0 3 321.739 3.194 20 30 DGEDHN Cc1cc(C)c(CC(=O)C(C#N)c2ncc(F)cc2F)s1 ZINC001344983833 1179506735 /nfs/dbraw/zinc/50/67/35/1179506735.db2.gz MZFXZQYLRICYLB-LLVKDONJSA-N 0 3 306.337 3.457 20 30 DGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001345622349 1179581470 /nfs/dbraw/zinc/58/14/70/1179581470.db2.gz ZIIFVUFBZBBVKX-WCQYABFASA-N 0 3 318.327 3.001 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC001345647209 1179586192 /nfs/dbraw/zinc/58/61/92/1179586192.db2.gz SLQLEVXGCIHLSU-BBRMVZONSA-N 0 3 311.385 3.282 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(Cl)s1 ZINC001345646243 1179586583 /nfs/dbraw/zinc/58/65/83/1179586583.db2.gz HDVFAUAMMUOZST-LLVKDONJSA-N 0 3 307.806 3.427 20 30 DGEDHN C[C@H]1[C@@H](OC(=O)c2ccc(C#N)[nH]2)CCCN1Cc1ccccc1 ZINC001345776082 1179604506 /nfs/dbraw/zinc/60/45/06/1179604506.db2.gz MRLIGFQKWLBZPQ-KSSFIOAISA-N 0 3 323.396 3.096 20 30 DGEDHN C=C(CC(C)C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001345942349 1179628193 /nfs/dbraw/zinc/62/81/93/1179628193.db2.gz PBUGQHVQSSATSJ-UHFFFAOYSA-N 0 3 304.434 3.305 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cn(C)c2ccccc12 ZINC001346096789 1179652475 /nfs/dbraw/zinc/65/24/75/1179652475.db2.gz UWEYALJPFVGFDY-MRXNPFEDSA-N 0 3 320.396 3.204 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001346282335 1179679612 /nfs/dbraw/zinc/67/96/12/1179679612.db2.gz CGJHPRBAWZNPHS-UHFFFAOYSA-N 0 3 313.445 3.051 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001346337689 1179686383 /nfs/dbraw/zinc/68/63/83/1179686383.db2.gz HUGJQYCHHTYUHD-MRXNPFEDSA-N 0 3 312.413 3.006 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)CC(C)(C)C ZINC001346526078 1179715115 /nfs/dbraw/zinc/71/51/15/1179715115.db2.gz DLUZVIAJSKOEDD-OAHLLOKOSA-N 0 3 319.497 3.146 20 30 DGEDHN C[C@@H](CC#Cc1cccnc1)OC(=O)c1cccc(CN(C)C)c1 ZINC001348620780 1179841020 /nfs/dbraw/zinc/84/10/20/1179841020.db2.gz ZJANKPCDIDHSMX-INIZCTEOSA-N 0 3 322.408 3.130 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nc2c(cccc2Cl)[nH]1 ZINC001349759853 1179945459 /nfs/dbraw/zinc/94/54/59/1179945459.db2.gz DJEJZWOIMDRKLS-FXQIFTODSA-N 0 3 309.703 3.294 20 30 DGEDHN C=CCCC(=O)NCC1CC(N[C@H](C)c2cc(F)ccc2F)C1 ZINC001100168994 1180417746 /nfs/dbraw/zinc/41/77/46/1180417746.db2.gz ASSMDIZDKIRGMS-DNOWBOINSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2cccc(C(C)C)n2)C1 ZINC001100170285 1180418662 /nfs/dbraw/zinc/41/86/62/1180418662.db2.gz HIGWXVAVPAPCHQ-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(Br)CN[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001200243467 1180479615 /nfs/dbraw/zinc/47/96/15/1180479615.db2.gz IKWXXZJDZJTCOY-UKRRQHHQSA-N 0 3 309.251 3.320 20 30 DGEDHN C#CCCCC(=O)NCC1CC(NCc2sccc2Cl)C1 ZINC001100283708 1180527960 /nfs/dbraw/zinc/52/79/60/1180527960.db2.gz TVMNFKPJHHWHPG-UHFFFAOYSA-N 0 3 324.877 3.189 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC001353644283 1180614447 /nfs/dbraw/zinc/61/44/47/1180614447.db2.gz BCWBCGYQXZBCLA-SJORKVTESA-N 0 3 301.434 3.209 20 30 DGEDHN C=C(C)CCC(=O)NCC1CC(NCc2cc(C)ccc2F)C1 ZINC001100374137 1180626004 /nfs/dbraw/zinc/62/60/04/1180626004.db2.gz VJQFEGGNDYNMHH-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C(C)c1ccccc1NC(=S)NCCN1CCCCC1 ZINC001200431104 1180636267 /nfs/dbraw/zinc/63/62/67/1180636267.db2.gz PWRWXTUKKJDTKJ-UHFFFAOYSA-N 0 3 303.475 3.492 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001100615252 1180853500 /nfs/dbraw/zinc/85/35/00/1180853500.db2.gz QZCPEQSAMFGDEI-UHFFFAOYSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100622485 1180858887 /nfs/dbraw/zinc/85/88/87/1180858887.db2.gz UGVZJOYEVQDELZ-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cc(C)ccc2C)C1 ZINC001100638365 1180877432 /nfs/dbraw/zinc/87/74/32/1180877432.db2.gz ILMUIOBCZIFTQH-UHFFFAOYSA-N 0 3 320.864 3.083 20 30 DGEDHN N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCCCC1 ZINC001472835214 1180897955 /nfs/dbraw/zinc/89/79/55/1180897955.db2.gz XBVWRALMTUXJLO-HNNXBMFYSA-N 0 3 314.389 3.285 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100711211 1180955246 /nfs/dbraw/zinc/95/52/46/1180955246.db2.gz DQJMGCKZYQBWJK-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](F)C2)c1 ZINC001356120177 1181143692 /nfs/dbraw/zinc/14/36/92/1181143692.db2.gz WFAYAFIDJRLLPW-VNHYZAJKSA-N 0 3 302.349 3.171 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)c1cc(F)ccc1OC ZINC001358168050 1181464165 /nfs/dbraw/zinc/46/41/65/1181464165.db2.gz NHVHJELUIGUKFJ-LSDHHAIUSA-N 0 3 308.397 3.085 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1cc(F)ccc1OC ZINC001358168045 1181464513 /nfs/dbraw/zinc/46/45/13/1181464513.db2.gz NHVHJELUIGUKFJ-CABCVRRESA-N 0 3 308.397 3.085 20 30 DGEDHN C=CC[C@H](C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001473435714 1181522434 /nfs/dbraw/zinc/52/24/34/1181522434.db2.gz CAZJCPDWSCKYRI-WMLDXEAASA-N 0 3 303.837 3.487 20 30 DGEDHN C=CC[C@H]1N(CC(=O)N2C[C@@H](C)OC(C)(C)C2)CCCC1(C)C ZINC001473432488 1181526462 /nfs/dbraw/zinc/52/64/62/1181526462.db2.gz MOTHELHSDBHXNS-HZPDHXFCSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001091147562 1181600673 /nfs/dbraw/zinc/60/06/73/1181600673.db2.gz UAHOPWKUMPTLOT-UHFFFAOYSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001360019320 1181615336 /nfs/dbraw/zinc/61/53/36/1181615336.db2.gz KGECLPSXUXGGES-HNNXBMFYSA-N 0 3 306.425 3.318 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2ncc(C)s2)CCC1 ZINC001480791588 1181693201 /nfs/dbraw/zinc/69/32/01/1181693201.db2.gz ZQJRQALSDQKNPR-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001448875674 1182216864 /nfs/dbraw/zinc/21/68/64/1182216864.db2.gz WRSGBIRCTBDWLX-MJGOQNOKSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(CC)c(CC)c1 ZINC001448884454 1182217561 /nfs/dbraw/zinc/21/75/61/1182217561.db2.gz RWBJGVJRFJOHLX-UHFFFAOYSA-N 0 3 302.462 3.391 20 30 DGEDHN CCN1[C@H](C)CN(c2cc(Br)ccc2C#N)C[C@@H]1C ZINC001458557871 1182540129 /nfs/dbraw/zinc/54/01/29/1182540129.db2.gz SJNIBCIJNLJILK-TXEJJXNPSA-N 0 3 322.250 3.240 20 30 DGEDHN CCC#C[C@@H](C)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459741507 1182611933 /nfs/dbraw/zinc/61/19/33/1182611933.db2.gz KTDTYNSJLWRRFQ-KGLIPLIRSA-N 0 3 319.836 3.187 20 30 DGEDHN Cc1ccc([C@H](O)CN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC001460184000 1182661412 /nfs/dbraw/zinc/66/14/12/1182661412.db2.gz HQTKBRTULHCRGV-HXUWFJFHSA-N 0 3 324.424 3.049 20 30 DGEDHN N#Cc1cccc([C@H](O)CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC001460484529 1182690625 /nfs/dbraw/zinc/69/06/25/1182690625.db2.gz MXHGPWBLFSIFMW-RTBURBONSA-N 0 3 307.397 3.118 20 30 DGEDHN C=CCC[C@@H](CO)NCc1c(C)ccc(Br)c1F ZINC001461498957 1182817434 /nfs/dbraw/zinc/81/74/34/1182817434.db2.gz BTTVIULQPVZPCL-NSHDSACASA-N 0 3 316.214 3.313 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc(-c2cccs2)oc1C ZINC001461594366 1182832955 /nfs/dbraw/zinc/83/29/55/1182832955.db2.gz ZRXMULHLQAYMFN-JSGCOSHPSA-N 0 3 304.415 3.392 20 30 DGEDHN CCN(CC)C(=O)OC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC001473448728 1183758177 /nfs/dbraw/zinc/75/81/77/1183758177.db2.gz BXAPARQCMYIEDO-HNNXBMFYSA-N 0 3 309.454 3.259 20 30 DGEDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1cc(C#N)ccn1 ZINC001473483767 1183763653 /nfs/dbraw/zinc/76/36/53/1183763653.db2.gz PEMMIEAADMKHRH-RBUKOAKNSA-N 0 3 321.424 3.427 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12 ZINC001473738149 1183795226 /nfs/dbraw/zinc/79/52/26/1183795226.db2.gz WHDVWUVAMDCWKB-RCCFBDPRSA-N 0 3 303.833 3.317 20 30 DGEDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@@H](C)CCC#N)CC1 ZINC001473910061 1183825742 /nfs/dbraw/zinc/82/57/42/1183825742.db2.gz MBBCGWSXJKEUAW-AWEZNQCLSA-N 0 3 309.454 3.400 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2nccs2)c1 ZINC001473968504 1183840459 /nfs/dbraw/zinc/84/04/59/1183840459.db2.gz YURQPMHDBUCORB-UHFFFAOYSA-N 0 3 322.231 3.110 20 30 DGEDHN C=CCOc1cccc(CNCc2cccnc2-n2cccn2)c1 ZINC001473991778 1183845657 /nfs/dbraw/zinc/84/56/57/1183845657.db2.gz GNOWHSDSOVJUIT-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN CCc1ccc([C@H](O)CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC001474143532 1183873427 /nfs/dbraw/zinc/87/34/27/1183873427.db2.gz GDKFHQVDQYDRKA-HXUWFJFHSA-N 0 3 323.440 3.010 20 30 DGEDHN C#CC[C@H](COC)NCc1cccc(COc2ccccc2)c1 ZINC001474225959 1183885574 /nfs/dbraw/zinc/88/55/74/1183885574.db2.gz CPQMQPJOCKULIT-LJQANCHMSA-N 0 3 309.409 3.394 20 30 DGEDHN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCCCN1C ZINC001476483703 1184041629 /nfs/dbraw/zinc/04/16/29/1184041629.db2.gz UCTIGFHOOKLYPD-INIZCTEOSA-N 0 3 301.434 3.411 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C(F)F)CCCC1 ZINC001479241210 1184214674 /nfs/dbraw/zinc/21/46/74/1184214674.db2.gz PDFSGMZCBATKHE-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001479261669 1184221693 /nfs/dbraw/zinc/22/16/93/1184221693.db2.gz YTFGTTJOZIPJNP-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cc(C)ns2)C1 ZINC001479397828 1184245083 /nfs/dbraw/zinc/24/50/83/1184245083.db2.gz DQJMGCKZYQBWJK-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CCC)c2ccccn2)[C@H]1CC ZINC001479640810 1184282652 /nfs/dbraw/zinc/28/26/52/1184282652.db2.gz ZNPBNGQLCFOFCB-RYQLBKOJSA-N 0 3 315.461 3.120 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC)c1ccccc1 ZINC001479647422 1184284891 /nfs/dbraw/zinc/28/48/91/1184284891.db2.gz OPGYBKAYRZIXOD-YSIASYRMSA-N 0 3 324.468 3.339 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(CC(C)C)CCCC3)C[C@@H]2C1 ZINC001479672289 1184286770 /nfs/dbraw/zinc/28/67/70/1184286770.db2.gz PTMRDINSZSAFSH-MSOLQXFVSA-N 0 3 316.489 3.006 20 30 DGEDHN C/C=C(/C)C(=O)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001479682666 1184288305 /nfs/dbraw/zinc/28/83/05/1184288305.db2.gz JESISCLILYQXEW-FQXARDAWSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1F ZINC001479737721 1184306960 /nfs/dbraw/zinc/30/69/60/1184306960.db2.gz MZIWVGKOAOFNQB-HNNXBMFYSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccncc1C ZINC001479823847 1184339100 /nfs/dbraw/zinc/33/91/00/1184339100.db2.gz QDNSGTPPFOWUMU-ZBFHGGJFSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cnoc1C ZINC001479827075 1184340108 /nfs/dbraw/zinc/34/01/08/1184340108.db2.gz WANOWRAWMYVFSZ-YOEHRIQHSA-N 0 3 319.449 3.199 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc2ccccc2s1)C1CC1 ZINC001479872268 1184358401 /nfs/dbraw/zinc/35/84/01/1184358401.db2.gz CYPAVHPGPDPGBV-UHFFFAOYSA-N 0 3 312.438 3.119 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCCc2ccc(C)cc2)CC1 ZINC001479892189 1184366477 /nfs/dbraw/zinc/36/64/77/1184366477.db2.gz QFWBUSJNZBCOKE-UHFFFAOYSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001479905922 1184374415 /nfs/dbraw/zinc/37/44/15/1184374415.db2.gz ZKORGWIWHJGVRZ-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN(Cc2cccc3ccccc32)C1 ZINC001479952215 1184388650 /nfs/dbraw/zinc/38/86/50/1184388650.db2.gz HPBWYISTZJSSDT-IBGZPJMESA-N 0 3 320.436 3.190 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001479959702 1184390073 /nfs/dbraw/zinc/39/00/73/1184390073.db2.gz FRUITNGNPWZQPY-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001479965135 1184395294 /nfs/dbraw/zinc/39/52/94/1184395294.db2.gz MINZBNREJVOUBB-ZBFHGGJFSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)C[C@@H](F)CC)C2)C1 ZINC001480084501 1184430215 /nfs/dbraw/zinc/43/02/15/1184430215.db2.gz LSOGQEFBEZLJJB-CVEARBPZSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001480100660 1184434526 /nfs/dbraw/zinc/43/45/26/1184434526.db2.gz BASFGUHINVWNIO-FCGDIQPGSA-N 0 3 316.489 3.454 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C ZINC001480101675 1184435587 /nfs/dbraw/zinc/43/55/87/1184435587.db2.gz SNVKUFXSTBHSFW-BDXSIMOUSA-N 0 3 322.493 3.057 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001480121647 1184440504 /nfs/dbraw/zinc/44/05/04/1184440504.db2.gz BXIXRTVRNYBKEP-HZIYNJIRSA-N 0 3 318.848 3.289 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCN(CC#CC)C1)c1ccccc1 ZINC001480269948 1184477840 /nfs/dbraw/zinc/47/78/40/1184477840.db2.gz RPSGQPBTGARNRU-AZUAARDMSA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CCOCC)CCCC1 ZINC001480334853 1184497045 /nfs/dbraw/zinc/49/70/45/1184497045.db2.gz KMYPZWRBHKGZFO-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC[C@@H](F)CC)cc1 ZINC001480357753 1184504952 /nfs/dbraw/zinc/50/49/52/1184504952.db2.gz YEZROVPSHGHGDS-ZWKOTPCHSA-N 0 3 316.420 3.000 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CSC(C)C ZINC001480370715 1184509689 /nfs/dbraw/zinc/50/96/89/1184509689.db2.gz VWJWAYPHFCRAMO-HZPDHXFCSA-N 0 3 310.507 3.160 20 30 DGEDHN C=CCCC(=O)NC1CCC(NCc2oc(CC)nc2C)CC1 ZINC001480400037 1184520865 /nfs/dbraw/zinc/52/08/65/1184520865.db2.gz FRUVXKCFKKAJRZ-UHFFFAOYSA-N 0 3 319.449 3.029 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001480660087 1184568455 /nfs/dbraw/zinc/56/84/55/1184568455.db2.gz WKWKQNWQEBBFQR-BPLGCGBFSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(Cc2ccccc2)CC1 ZINC001480771399 1184603162 /nfs/dbraw/zinc/60/31/62/1184603162.db2.gz SISULPZHMJWUMT-OAHLLOKOSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@@H](C)NCc2nc(C)cs2)CC1 ZINC001480790499 1184608987 /nfs/dbraw/zinc/60/89/87/1184608987.db2.gz PFBXKRMXQTXUJR-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(CC)CCNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001493063056 1184640727 /nfs/dbraw/zinc/64/07/27/1184640727.db2.gz MTBMPLAKQGUTKV-UHFFFAOYSA-N 0 3 304.478 3.073 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(CCc2ccccc2)CC1 ZINC001493167695 1184661787 /nfs/dbraw/zinc/66/17/87/1184661787.db2.gz KPTPSWSSAVKDCD-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C2(CC(C)C)CCCC2)C1 ZINC001493246357 1184674213 /nfs/dbraw/zinc/67/42/13/1184674213.db2.gz WYVHWCLBLOZFDP-KRWDZBQOSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)c1ccccc1 ZINC001493340628 1184689734 /nfs/dbraw/zinc/68/97/34/1184689734.db2.gz DEQWZQDXNGWOHR-KRWDZBQOSA-N 0 3 300.446 3.032 20 30 DGEDHN C[C@H](c1cccc(Cl)c1)N(CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001493357039 1184693314 /nfs/dbraw/zinc/69/33/14/1184693314.db2.gz MVURYXOMZGRYPY-QWHCGFSZSA-N 0 3 319.836 3.141 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCc2cc(F)ccc21)C1CC1 ZINC001493389935 1184698700 /nfs/dbraw/zinc/69/87/00/1184698700.db2.gz BYIZAZIRSHMMGG-SFHVURJKSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC001493449702 1184708192 /nfs/dbraw/zinc/70/81/92/1184708192.db2.gz NPVHFMDZGQYGBY-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C[C@@H](C)SC)c1ccccc1 ZINC001493890142 1184759480 /nfs/dbraw/zinc/75/94/80/1184759480.db2.gz RQDFPVOCGIFPSL-GDBMZVCRSA-N 0 3 306.475 3.151 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C[C@H]1CC=CCC1)c1ccccc1 ZINC001493898713 1184761292 /nfs/dbraw/zinc/76/12/92/1184761292.db2.gz UUJAXDNLVJUGPU-PKOBYXMFSA-N 0 3 310.441 3.203 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cccc(C)c2)C1 ZINC001493939863 1184770347 /nfs/dbraw/zinc/77/03/47/1184770347.db2.gz UUTKRLXCGCUXJV-GOSISDBHSA-N 0 3 300.446 3.498 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001493973625 1184781844 /nfs/dbraw/zinc/78/18/44/1184781844.db2.gz LUNHTWZAQOXJCS-LJQANCHMSA-N 0 3 312.457 3.253 20 30 DGEDHN O=C(CC1CCC1)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001494005880 1184789827 /nfs/dbraw/zinc/78/98/27/1184789827.db2.gz VVTVSKGXHOLAPA-HXUWFJFHSA-N 0 3 324.468 3.057 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001494578071 1184889363 /nfs/dbraw/zinc/88/93/63/1184889363.db2.gz XSAITOWIYUWUHR-HNNXBMFYSA-N 0 3 300.446 3.398 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOCC1 ZINC001494649975 1184900912 /nfs/dbraw/zinc/90/09/12/1184900912.db2.gz JMXYPYZSRNIFKR-BZSNNMDCSA-N 0 3 322.493 3.059 20 30 DGEDHN CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001494819692 1184935350 /nfs/dbraw/zinc/93/53/50/1184935350.db2.gz OTHFJRJIKQZULD-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001494890117 1184956146 /nfs/dbraw/zinc/95/61/46/1184956146.db2.gz NFYKIRCZRAIYRS-MRXNPFEDSA-N 0 3 322.493 3.271 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1ccc(Cl)nc1 ZINC001494992716 1184977143 /nfs/dbraw/zinc/97/71/43/1184977143.db2.gz ZHFGWKOSYHPYSR-AWEZNQCLSA-N 0 3 309.841 3.076 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001495049530 1184986966 /nfs/dbraw/zinc/98/69/66/1184986966.db2.gz JTXSUFLHIFXWRF-UYAOXDASSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001609053969 1193322597 /nfs/dbraw/zinc/32/25/97/1193322597.db2.gz UZIOXFCHKXWRGT-UHFFFAOYSA-N 0 3 303.385 3.232 20 30 DGEDHN C=CCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001609053969 1193322598 /nfs/dbraw/zinc/32/25/98/1193322598.db2.gz UZIOXFCHKXWRGT-UHFFFAOYSA-N 0 3 303.385 3.232 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001495600257 1185079077 /nfs/dbraw/zinc/07/90/77/1185079077.db2.gz ZHCHQNDJJNQJMY-YCRREMRBSA-N 0 3 310.869 3.410 20 30 DGEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)CC(C)(C)C ZINC001496006737 1185125155 /nfs/dbraw/zinc/12/51/55/1185125155.db2.gz XWGIKDNYQICLOC-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001496136445 1185138562 /nfs/dbraw/zinc/13/85/62/1185138562.db2.gz FHFAJTWBDDRKED-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001496173334 1185143597 /nfs/dbraw/zinc/14/35/97/1185143597.db2.gz STVPTYRLMHHOHI-LBPRGKRZSA-N 0 3 323.506 3.299 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1ccc(F)cc1F)C(C)C ZINC001496589441 1185217285 /nfs/dbraw/zinc/21/72/85/1185217285.db2.gz IXDHXJQIHHCDOG-INIZCTEOSA-N 0 3 324.415 3.407 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2c(c1)CCC2)C(C)C ZINC001496636263 1185224319 /nfs/dbraw/zinc/22/43/19/1185224319.db2.gz RMSPTJRITSVRBK-QGZVFWFLSA-N 0 3 320.864 3.272 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001496671207 1185230673 /nfs/dbraw/zinc/23/06/73/1185230673.db2.gz FIDQIQBCEWCVGC-QGZVFWFLSA-N 0 3 304.409 3.169 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1snc(Cl)c1Cl ZINC001496709477 1185236365 /nfs/dbraw/zinc/23/63/65/1185236365.db2.gz IEIUSZNHLWHCPC-UHFFFAOYSA-N 0 3 322.261 3.030 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001496729706 1185236868 /nfs/dbraw/zinc/23/68/68/1185236868.db2.gz MUFWWRWVUWHEGR-UHFFFAOYSA-N 0 3 313.445 3.365 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001496733726 1185238826 /nfs/dbraw/zinc/23/88/26/1185238826.db2.gz NMCRQOLUMKIJGU-UHFFFAOYSA-N 0 3 320.481 3.133 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC/C=C/c1ccccc1 ZINC001496781944 1185247017 /nfs/dbraw/zinc/24/70/17/1185247017.db2.gz ZHBDKXYRPALXTO-XYOKQWHBSA-N 0 3 300.446 3.446 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]1(C)CCCc2ccccc21 ZINC001496804686 1185251687 /nfs/dbraw/zinc/25/16/87/1185251687.db2.gz KTRAOXQXWKNXQS-HXUWFJFHSA-N 0 3 314.473 3.247 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCN3CCF)C2)CCCC1 ZINC001496867056 1185260836 /nfs/dbraw/zinc/26/08/36/1185260836.db2.gz DBLWQEUMNZOPFH-JKSUJKDBSA-N 0 3 308.441 3.015 20 30 DGEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)CCC(C)C ZINC001497353342 1185321859 /nfs/dbraw/zinc/32/18/59/1185321859.db2.gz VBEZKQPRENPFQC-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1ccc(Cl)nc1 ZINC001497447024 1185334389 /nfs/dbraw/zinc/33/43/89/1185334389.db2.gz FCHRXMJLOSQQRD-KRWDZBQOSA-N 0 3 323.868 3.275 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C\CN[C@@H](C)c1ccc(Cl)cc1 ZINC001497579111 1185356839 /nfs/dbraw/zinc/35/68/39/1185356839.db2.gz MGKUYRZCKWLTQK-XVWMLYKFSA-N 0 3 318.848 3.322 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001497590166 1185359818 /nfs/dbraw/zinc/35/98/18/1185359818.db2.gz NVHIFTFATJIJDX-VOTSOKGWSA-N 0 3 318.436 3.498 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C)cc1 ZINC001498278882 1185462099 /nfs/dbraw/zinc/46/20/99/1185462099.db2.gz GMLJKXMVIIARAC-QGZVFWFLSA-N 0 3 300.446 3.125 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001499102697 1185611621 /nfs/dbraw/zinc/61/16/21/1185611621.db2.gz WPXITQPWUXRMQX-HZPDHXFCSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCN1CC1CCC1)c1ccccc1 ZINC001499123848 1185616466 /nfs/dbraw/zinc/61/64/66/1185616466.db2.gz DAWPJAKVPHKNJI-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001499131303 1185616872 /nfs/dbraw/zinc/61/68/72/1185616872.db2.gz HYVXKBWJNMJENP-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C[C@H](NC1(CNC(=O)C#CC2CC2)CC1)c1ccc(Cl)cc1 ZINC001499221803 1185627843 /nfs/dbraw/zinc/62/78/43/1185627843.db2.gz SUOPTSBXBRVTCF-ZDUSSCGKSA-N 0 3 316.832 3.053 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H](CC)c2ccc(C)cc2)CC1 ZINC001499344974 1185639992 /nfs/dbraw/zinc/63/99/92/1185639992.db2.gz DZLNVJVBIPBRBD-KRWDZBQOSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C\Cl)C1 ZINC001499480081 1185655287 /nfs/dbraw/zinc/65/52/87/1185655287.db2.gz CDXYERHSOBOJAL-ASQNPNNHSA-N 0 3 310.869 3.408 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC(C)=C(C)C)C1 ZINC001499480492 1185655348 /nfs/dbraw/zinc/65/53/48/1185655348.db2.gz HHEWTCLIFFTRJF-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C(=O)c1cc(C)cs1)C1CCN(CC(=C)C)CC1 ZINC001500037650 1185732923 /nfs/dbraw/zinc/73/29/23/1185732923.db2.gz KGOXHWQPMQNUTJ-UHFFFAOYSA-N 0 3 316.470 3.172 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C/CC)C2 ZINC001500155392 1185748299 /nfs/dbraw/zinc/74/82/99/1185748299.db2.gz CVWAILCLKXOVGE-OJEAVSNDSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001500243894 1185762355 /nfs/dbraw/zinc/76/23/55/1185762355.db2.gz QPNZAIPWEHWADY-WSTZPKSXSA-N 0 3 312.457 3.022 20 30 DGEDHN CC#CCCCC(=O)N[C@@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001500251575 1185765432 /nfs/dbraw/zinc/76/54/32/1185765432.db2.gz SFHJJYOSQIKMQV-BGVYSJOJSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001500264978 1185766431 /nfs/dbraw/zinc/76/64/31/1185766431.db2.gz ONXJWSPKMMKVAH-ICSRJNTNSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccccc2C)C1 ZINC001500529673 1185816478 /nfs/dbraw/zinc/81/64/78/1185816478.db2.gz KAEZSAJBYCWXHT-FQEVSTJZSA-N 0 3 314.473 3.332 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC(C)C)c1ccccc1CC ZINC001501018923 1185856392 /nfs/dbraw/zinc/85/63/92/1185856392.db2.gz IPJFCLKDALATQC-SFHVURJKSA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ncccc1C)c1ccccc1CC ZINC001501019193 1185857247 /nfs/dbraw/zinc/85/72/47/1185857247.db2.gz MIYFZTTUQJMJFX-GOSISDBHSA-N 0 3 323.440 3.199 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1CC(F)(F)C1)c1ccccc1CC ZINC001501019226 1185857673 /nfs/dbraw/zinc/85/76/73/1185857673.db2.gz NANOVFICCDRADK-MRXNPFEDSA-N 0 3 322.399 3.227 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@H](C)C1CC1 ZINC001501200229 1185882936 /nfs/dbraw/zinc/88/29/36/1185882936.db2.gz VVCJQSACICACKG-KRWDZBQOSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)C(C)(C)C)CC1 ZINC001501203288 1185883611 /nfs/dbraw/zinc/88/36/11/1185883611.db2.gz VQDLVOWKCNEEOH-UHFFFAOYSA-N 0 3 315.461 3.107 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(C)(C)C(C)C ZINC001501662712 1185918068 /nfs/dbraw/zinc/91/80/68/1185918068.db2.gz FVOLMUUBYRRPJY-UHFFFAOYSA-N 0 3 314.473 3.440 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CCC3(C)CC3)cccc2C1 ZINC001501857009 1185931907 /nfs/dbraw/zinc/93/19/07/1185931907.db2.gz XNLOPWOOEDDYKC-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502108243 1185954080 /nfs/dbraw/zinc/95/40/80/1185954080.db2.gz ZZMDVNOPVZWCQL-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC[C@H]2CCc3ccccc32)CC1 ZINC001502147179 1185963182 /nfs/dbraw/zinc/96/31/82/1185963182.db2.gz DKHFRCSZVVPHNA-MOPGFXCFSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCOCCCC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001502648146 1185999355 /nfs/dbraw/zinc/99/93/55/1185999355.db2.gz GQNIJGZQGPKCBM-UHFFFAOYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCCCC(=O)N1CCC(C)(NCc2ncc(C)s2)CC1 ZINC001502795418 1186012745 /nfs/dbraw/zinc/01/27/45/1186012745.db2.gz KQACQHMLZFKFQG-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001502922415 1186028793 /nfs/dbraw/zinc/02/87/93/1186028793.db2.gz GVPRFSHPOWSHSM-YJBOKZPZSA-N 0 3 316.420 3.098 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC(C2CCC2)C2CCC2)C[C@@H]1C ZINC001502985244 1186033513 /nfs/dbraw/zinc/03/35/13/1186033513.db2.gz FFVKJIXUXRLPMF-YJBOKZPZSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@H](C)NCc2ncc(C)s2)CC1 ZINC001503463429 1186045597 /nfs/dbraw/zinc/04/55/97/1186045597.db2.gz MRLRUOSZTGUHNJ-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C(F)F)CCCC1 ZINC001503438492 1186045652 /nfs/dbraw/zinc/04/56/52/1186045652.db2.gz PUPYWKMNHHJUCJ-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCC[C@H](C)N1CCc2ccccc2[C@@H]1CNC(=O)C(F)F ZINC001503668459 1186049486 /nfs/dbraw/zinc/04/94/86/1186049486.db2.gz XQCQDGOYHMUFKJ-BBRMVZONSA-N 0 3 322.399 3.322 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)C(C)(C)CCC)CC2)C1 ZINC001503736676 1186052561 /nfs/dbraw/zinc/05/25/61/1186052561.db2.gz YOPFFUIPYLNPSQ-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2cc(C)ccc2o1 ZINC001505466426 1186090913 /nfs/dbraw/zinc/09/09/13/1186090913.db2.gz YQIXEYPBCCKNDE-INIZCTEOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001505520294 1186097420 /nfs/dbraw/zinc/09/74/20/1186097420.db2.gz PKUGGVIMICDCGA-UHFFFAOYSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001505521536 1186098034 /nfs/dbraw/zinc/09/80/34/1186098034.db2.gz FNLPPMWISJNJIM-YMAMQOFZSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ns1 ZINC001505613440 1186114713 /nfs/dbraw/zinc/11/47/13/1186114713.db2.gz IDUMIIIJVGTIEL-QWHCGFSZSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001505836193 1186146395 /nfs/dbraw/zinc/14/63/95/1186146395.db2.gz ACBQOKOCOTYFJN-TZMCWYRMSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001506850921 1186295484 /nfs/dbraw/zinc/29/54/84/1186295484.db2.gz CEBVWRRDNZDVDG-SOUVJXGZSA-N 0 3 310.869 3.168 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1(C)CC(F)(F)C1 ZINC001506944769 1186319844 /nfs/dbraw/zinc/31/98/44/1186319844.db2.gz AQJHUPNWUBMBDV-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=CCCCC(=O)N1CCC(N(C)Cc2cnc(C)s2)CC1 ZINC001506962150 1186326370 /nfs/dbraw/zinc/32/63/70/1186326370.db2.gz VVTHZIPXFNYGMZ-UHFFFAOYSA-N 0 3 321.490 3.231 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001507024158 1186341891 /nfs/dbraw/zinc/34/18/91/1186341891.db2.gz TWXQQTVNCRSXIJ-FQEVSTJZSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001507128038 1186367720 /nfs/dbraw/zinc/36/77/20/1186367720.db2.gz AGTDAFFRLNPMQC-WMZOPIPTSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001507127284 1186368063 /nfs/dbraw/zinc/36/80/63/1186368063.db2.gz FKGQYXLEEXKITH-ZDUSSCGKSA-N 0 3 319.474 3.159 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1c(Cl)cccc1Cl ZINC001507146737 1186372684 /nfs/dbraw/zinc/37/26/84/1186372684.db2.gz FTVBQCMWPOLEFT-NSHDSACASA-N 0 3 313.228 3.067 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001507309111 1186386710 /nfs/dbraw/zinc/38/67/10/1186386710.db2.gz GQNYVEXFSXIJHH-DZGCQCFKSA-N 0 3 306.475 3.429 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001507339661 1186395746 /nfs/dbraw/zinc/39/57/46/1186395746.db2.gz GEOBSTBVMJUHJM-RDJZCZTQSA-N 0 3 304.459 3.328 20 30 DGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1cccnc1)CC2 ZINC001507343620 1186396690 /nfs/dbraw/zinc/39/66/90/1186396690.db2.gz IEBFJIYTBUNWIK-HKUYNNGSSA-N 0 3 313.445 3.051 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(CCOCC)CCC2)[C@H]1C ZINC001507379149 1186409276 /nfs/dbraw/zinc/40/92/76/1186409276.db2.gz ZGXWOPDHXCQPTD-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cnc(CC)s2)[C@@H]1C ZINC001507385924 1186414043 /nfs/dbraw/zinc/41/40/43/1186414043.db2.gz KRWFEGGNNTUXBX-UONOGXRCSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@H]1CC(C)(C)CO1)C(C)C ZINC001507864392 1186452232 /nfs/dbraw/zinc/45/22/32/1186452232.db2.gz RXHZWKRJKHXBBO-KRWDZBQOSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(CC=C)CCCCC2)CC1 ZINC001508229836 1186492123 /nfs/dbraw/zinc/49/21/23/1186492123.db2.gz OGHLZCMTVLGXOX-UHFFFAOYSA-N 0 3 302.462 3.447 20 30 DGEDHN CC(Cl)(Cl)C(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC001515836763 1186772475 /nfs/dbraw/zinc/77/24/75/1186772475.db2.gz MJTBRPARUDLWMF-GFCCVEGCSA-N 0 3 322.195 3.301 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001517045596 1186799938 /nfs/dbraw/zinc/79/99/38/1186799938.db2.gz FQWFKYNKVQCEPH-BFHYXJOUSA-N 0 3 315.323 3.161 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1c(C)cccc1C ZINC001517063975 1186800903 /nfs/dbraw/zinc/80/09/03/1186800903.db2.gz CWQFCHIPHPLNIH-OAHLLOKOSA-N 0 3 311.385 3.165 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001522229596 1187070676 /nfs/dbraw/zinc/07/06/76/1187070676.db2.gz CHNJHIKLHHFKFP-KRWDZBQOSA-N 0 3 309.413 3.048 20 30 DGEDHN N#CC(C(=O)CC[C@H]1CCCO1)c1nccn1Cc1ccccc1 ZINC001524671104 1187258596 /nfs/dbraw/zinc/25/85/96/1187258596.db2.gz BIISRKPSFUIEKV-SJORKVTESA-N 0 3 323.396 3.067 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001526595008 1187377712 /nfs/dbraw/zinc/37/77/12/1187377712.db2.gz ULOSJJGXZOPSSK-BBRMVZONSA-N 0 3 311.385 3.282 20 30 DGEDHN C=C[C@@H](C(=O)N(CCN(C)C)Cc1ccco1)c1ccccc1 ZINC001528018273 1187463379 /nfs/dbraw/zinc/46/33/79/1187463379.db2.gz ZXLMNVRQVNOTGX-GOSISDBHSA-N 0 3 312.413 3.140 20 30 DGEDHN C=C1CCC(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC001529584813 1187567326 /nfs/dbraw/zinc/56/73/26/1187567326.db2.gz DPOVIQMRFAQJPO-UHFFFAOYSA-N 0 3 304.478 3.456 20 30 DGEDHN Cc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc(C)c1C#N ZINC001539232111 1188182582 /nfs/dbraw/zinc/18/25/82/1188182582.db2.gz NIPGIGBPQHYBBH-KRWDZBQOSA-N 0 3 313.445 3.025 20 30 DGEDHN CCc1ccc(C#CC(=O)N(CCN(C)C)c2ccccc2)cc1 ZINC001544424872 1188392618 /nfs/dbraw/zinc/39/26/18/1188392618.db2.gz BOBOQODUKQZGHI-UHFFFAOYSA-N 0 3 320.436 3.195 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001566880585 1188972789 /nfs/dbraw/zinc/97/27/89/1188972789.db2.gz ABNFRGIIJZXCJC-QZTJIDSGSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001565821574 1188979141 /nfs/dbraw/zinc/97/91/41/1188979141.db2.gz MIUIIYGHRNCKHD-CABCVRRESA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1ccccc1C ZINC001556466465 1189002176 /nfs/dbraw/zinc/00/21/76/1189002176.db2.gz ZILRNTFQFQLMTB-UHFFFAOYSA-N 0 3 302.462 3.239 20 30 DGEDHN C[C@H]1[C@@H](Nc2cc(C(F)(F)F)c(F)cc2C#N)CCN1C ZINC001559283746 1189191844 /nfs/dbraw/zinc/19/18/44/1189191844.db2.gz WNPFSMBEXGWRDX-UFBFGSQYSA-N 0 3 301.287 3.221 20 30 DGEDHN C=CCN(CC(=O)N1C[C@H](C)OC(C)(C)C1)CC1CCCCC1 ZINC001559539359 1189214089 /nfs/dbraw/zinc/21/40/89/1189214089.db2.gz MNRAGIVMEBYKAU-INIZCTEOSA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2ccc(C#N)cc2)C1 ZINC001559918196 1189256009 /nfs/dbraw/zinc/25/60/09/1189256009.db2.gz DFXHGMPOCUPHHM-PBHICJAKSA-N 0 3 314.429 3.358 20 30 DGEDHN CN1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1C(C)(C)C ZINC001559956234 1189262474 /nfs/dbraw/zinc/26/24/74/1189262474.db2.gz QMRNWNUGUMMMGI-KRWDZBQOSA-N 0 3 304.865 3.354 20 30 DGEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC001560026975 1189269832 /nfs/dbraw/zinc/26/98/32/1189269832.db2.gz MLFUZMDTKDNFHX-OXQOHEQNSA-N 0 3 312.457 3.460 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cc(-c2ccccc2)ccc1OC ZINC001560519589 1189335682 /nfs/dbraw/zinc/33/56/82/1189335682.db2.gz IWFDDNVUXHVGDW-IBGZPJMESA-N 0 3 309.409 3.226 20 30 DGEDHN C#CCC[C@H](O)CNCc1ccc(-c2ccccc2Cl)o1 ZINC001560575679 1189343149 /nfs/dbraw/zinc/34/31/49/1189343149.db2.gz MQHFVMAKOVTHRF-ZDUSSCGKSA-N 0 3 303.789 3.464 20 30 DGEDHN C#Cc1ccc(CN2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001560902584 1189403020 /nfs/dbraw/zinc/40/30/20/1189403020.db2.gz FMVCFKASLWBNCG-CRAIPNDOSA-N 0 3 313.441 3.468 20 30 DGEDHN Cc1cccnc1[C@@H]1CCC[C@H](NCC2(C#N)CCOCC2)C1 ZINC001561045286 1189425571 /nfs/dbraw/zinc/42/55/71/1189425571.db2.gz WWDKYIQZYFUWFH-SJORKVTESA-N 0 3 313.445 3.326 20 30 DGEDHN C#CCN(C(=O)NCCCCCCCC=C)C1CCN(C)CC1 ZINC001564883598 1189603931 /nfs/dbraw/zinc/60/39/31/1189603931.db2.gz IZTCTPYHCIMSCQ-UHFFFAOYSA-N 0 3 319.493 3.252 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3csc4ccccc34)C2)C1 ZINC001565499075 1189651191 /nfs/dbraw/zinc/65/11/91/1189651191.db2.gz MFWRMHYOLHXFQI-UHFFFAOYSA-N 0 3 312.438 3.235 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(c2ccccc2)CCC1 ZINC001565821547 1189675555 /nfs/dbraw/zinc/67/55/55/1189675555.db2.gz LMJUZYKQJUANKL-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CCC)c1ccccn1 ZINC001565824550 1189677698 /nfs/dbraw/zinc/67/76/98/1189677698.db2.gz JIMBZSFHPFLZBK-IRXDYDNUSA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001565831892 1189683101 /nfs/dbraw/zinc/68/31/01/1189683101.db2.gz PUZFPTBJIUTQNR-ZIAGYGMSSA-N 0 3 322.474 3.258 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001565833785 1189683678 /nfs/dbraw/zinc/68/36/78/1189683678.db2.gz QPHVIKMHXRLPLL-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC)CCCCC1 ZINC001565835455 1189685711 /nfs/dbraw/zinc/68/57/11/1189685711.db2.gz NLWHZOVNJVTEDU-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C[C@@H](C(=O)NC[C@H]1C[C@@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001565856581 1189693005 /nfs/dbraw/zinc/69/30/05/1189693005.db2.gz NTKGGPCAAGNWFK-HYVNUMGLSA-N 0 3 318.848 3.193 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccc(F)cc1 ZINC001566003968 1189713327 /nfs/dbraw/zinc/71/33/27/1189713327.db2.gz RDOVLXHCFGMDII-IAGOWNOFSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2)[C@@H]1CC ZINC001566008951 1189715094 /nfs/dbraw/zinc/71/50/94/1189715094.db2.gz UHABQIXUFABXAW-ZWKOTPCHSA-N 0 3 316.445 3.131 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)[C@H]1C ZINC001566108721 1189736031 /nfs/dbraw/zinc/73/60/31/1189736031.db2.gz JYVKMWHCSUCCIJ-IKGGRYGDSA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001566525545 1189790861 /nfs/dbraw/zinc/79/08/61/1189790861.db2.gz XCBMJHCTDUNKKU-HOCLYGCPSA-N 0 3 306.837 3.412 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@H]1CCc2ccccc21)C1CC1 ZINC001566600267 1189815377 /nfs/dbraw/zinc/81/53/77/1189815377.db2.gz UACQMUIBEYSJNV-GOSISDBHSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2ccc(CC)cc2)C1 ZINC001566671098 1189852237 /nfs/dbraw/zinc/85/22/37/1189852237.db2.gz NCMFXLNJLJMYOT-SFHVURJKSA-N 0 3 314.473 3.194 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](CC)SC)CC1 ZINC001566697329 1189863605 /nfs/dbraw/zinc/86/36/05/1189863605.db2.gz VLVPDXQYKCKSEQ-INIZCTEOSA-N 0 3 312.523 3.407 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001566755734 1189891929 /nfs/dbraw/zinc/89/19/29/1189891929.db2.gz QMTIOKTZUYMZDC-BHYGNILZSA-N 0 3 302.462 3.207 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001566820294 1189913917 /nfs/dbraw/zinc/91/39/17/1189913917.db2.gz LWWSLZAKBXFSOZ-AKBFTSJKSA-N 0 3 310.869 3.453 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001566882490 1189939438 /nfs/dbraw/zinc/93/94/38/1189939438.db2.gz PTZSFMHRAAMANC-KRWDZBQOSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001566929958 1189958876 /nfs/dbraw/zinc/95/88/76/1189958876.db2.gz MYUDZRWSVYENPZ-IBGZPJMESA-N 0 3 324.468 3.021 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2scnc2C)C1 ZINC001566958478 1189970018 /nfs/dbraw/zinc/97/00/18/1189970018.db2.gz PSYBJKVLFVLCAB-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566962592 1189973318 /nfs/dbraw/zinc/97/33/18/1189973318.db2.gz JXFMKZSQZLSQPB-ROUUACIJSA-N 0 3 318.505 3.443 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001567002309 1189989020 /nfs/dbraw/zinc/98/90/20/1189989020.db2.gz QEJVSJSMVNIHTK-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@@H](CNC(=O)CC1(C)CCCC1)NCc1ccc(C#N)s1 ZINC001567013867 1189994628 /nfs/dbraw/zinc/99/46/28/1189994628.db2.gz RKDKKVPCLCMMMZ-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001567069998 1190018824 /nfs/dbraw/zinc/01/88/24/1190018824.db2.gz RWTBNHWPEKZGJM-ZIAGYGMSSA-N 0 3 321.490 3.286 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001567081981 1190025959 /nfs/dbraw/zinc/02/59/59/1190025959.db2.gz FOJSJCQCBMYQBG-KLAILNCOSA-N 0 3 306.494 3.347 20 30 DGEDHN CCC[C@@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001567091792 1190028152 /nfs/dbraw/zinc/02/81/52/1190028152.db2.gz GCBYTKMJWLOWOA-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2nc(C)c(C)s2)C1 ZINC001567158222 1190045035 /nfs/dbraw/zinc/04/50/35/1190045035.db2.gz AAMFMWSVPIMBNA-CABCVRRESA-N 0 3 321.490 3.243 20 30 DGEDHN CC[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C#CC1CC1 ZINC001567279917 1190110107 /nfs/dbraw/zinc/11/01/07/1190110107.db2.gz NJBPTAQBBAOBGX-QGZVFWFLSA-N 0 3 318.848 3.253 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001567299720 1190118197 /nfs/dbraw/zinc/11/81/97/1190118197.db2.gz NLNZUSNIXCZJAD-KDOFPFPSSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2c(s1)CCCCC2 ZINC001567351774 1190146667 /nfs/dbraw/zinc/14/66/67/1190146667.db2.gz BSHQRDNPOLGYIA-UHFFFAOYSA-N 0 3 306.475 3.255 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001567415565 1190178538 /nfs/dbraw/zinc/17/85/38/1190178538.db2.gz OIUXUDQJKPIHOY-RBUKOAKNSA-N 0 3 318.505 3.444 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001567415563 1190179067 /nfs/dbraw/zinc/17/90/67/1190179067.db2.gz OIUXUDQJKPIHOY-MOPGFXCFSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001567420997 1190180862 /nfs/dbraw/zinc/18/08/62/1190180862.db2.gz IDMSRASLZCWYHE-AZUAARDMSA-N 0 3 324.468 3.198 20 30 DGEDHN CCCN(CCNC(=O)[C@H](C)CC)Cc1ccc(F)c(C#N)c1 ZINC001567422243 1190182514 /nfs/dbraw/zinc/18/25/14/1190182514.db2.gz VCIVBJRFBLYCBD-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CCCCC(=O)N(C)CCNCc1ccc(F)c(Cl)c1 ZINC001567553772 1190216791 /nfs/dbraw/zinc/21/67/91/1190216791.db2.gz YPNIGPHZPICSOD-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC001567662831 1190240759 /nfs/dbraw/zinc/24/07/59/1190240759.db2.gz CFLLKEURUDCTKN-HSALFYBXSA-N 0 3 320.436 3.423 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC/C=C/CC)cc1 ZINC001567674269 1190244747 /nfs/dbraw/zinc/24/47/47/1190244747.db2.gz XCABMCMXGPEJHR-VGIQHARFSA-N 0 3 322.452 3.313 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccc(C)c2F)C1 ZINC001567683442 1190251004 /nfs/dbraw/zinc/25/10/04/1190251004.db2.gz WLSFGAZYYNKVLP-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)c2ccsc2)C1 ZINC001567689363 1190255273 /nfs/dbraw/zinc/25/52/73/1190255273.db2.gz VBIYZPPULWOLPW-NVXWUHKLSA-N 0 3 318.486 3.188 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001567737000 1190279495 /nfs/dbraw/zinc/27/94/95/1190279495.db2.gz ZPXIDIVERACGFL-YCABEKBOSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2c1 ZINC001567861090 1190325783 /nfs/dbraw/zinc/32/57/83/1190325783.db2.gz JCVCLKWVWGVLQP-WBAXXEDZSA-N 0 3 323.440 3.421 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCc2ccccc21 ZINC001567867057 1190327482 /nfs/dbraw/zinc/32/74/82/1190327482.db2.gz YBUSWDHKMINPTM-WFXMLNOXSA-N 0 3 324.468 3.142 20 30 DGEDHN C=CCC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001567867034 1190327805 /nfs/dbraw/zinc/32/78/05/1190327805.db2.gz XDHNMJXJQASGLG-UFYCRDLUSA-N 0 3 324.468 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2sccc2C)C1 ZINC001567899693 1190340046 /nfs/dbraw/zinc/34/00/46/1190340046.db2.gz CJYVHICSDCDTRY-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccc(C)cc2)C1 ZINC001567938499 1190364332 /nfs/dbraw/zinc/36/43/32/1190364332.db2.gz GSAJSNDUPWLKRV-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2cccs2)C1 ZINC001567945829 1190370595 /nfs/dbraw/zinc/37/05/95/1190370595.db2.gz WVWLXACESKSSIO-HNNXBMFYSA-N 0 3 306.475 3.180 20 30 DGEDHN C=C(C)CCC(=O)N[C@](C)(CNCc1cc(C)ns1)C1CC1 ZINC001568021328 1190400444 /nfs/dbraw/zinc/40/04/44/1190400444.db2.gz AENNZWFHHRLSQP-QGZVFWFLSA-N 0 3 321.490 3.182 20 30 DGEDHN CC(C)CC(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001568254942 1190464128 /nfs/dbraw/zinc/46/41/28/1190464128.db2.gz NFBYOLWBEPJBSY-OAHLLOKOSA-N 0 3 320.864 3.174 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001568276189 1190470323 /nfs/dbraw/zinc/47/03/23/1190470323.db2.gz CMCGWYPEKYLMLF-ZDUSSCGKSA-N 0 3 310.388 3.258 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ncccc1C)CC(C)C ZINC001568335815 1190494934 /nfs/dbraw/zinc/49/49/34/1190494934.db2.gz YJOAZOWQLLPPSQ-MRXNPFEDSA-N 0 3 317.477 3.223 20 30 DGEDHN CC[C@@H](F)CNC[C@@H](NC(=O)C#CC(C)C)C1CCCCC1 ZINC001568341806 1190496848 /nfs/dbraw/zinc/49/68/48/1190496848.db2.gz BSIDBFLVANAMNW-IAGOWNOFSA-N 0 3 310.457 3.049 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ncc(C)s2)[C@H](C)C1 ZINC001568358483 1190501733 /nfs/dbraw/zinc/50/17/33/1190501733.db2.gz QPWDAVKHLIINDP-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CCNCc1conc1C ZINC001568385876 1190508179 /nfs/dbraw/zinc/50/81/79/1190508179.db2.gz PGZRVLVPLCLQHW-QGZVFWFLSA-N 0 3 319.449 3.200 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(F)ccc1F)C(C)C ZINC001568453742 1190527146 /nfs/dbraw/zinc/52/71/46/1190527146.db2.gz XYUBSODEOXYLAW-AWEZNQCLSA-N 0 3 316.779 3.061 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001568459378 1190527974 /nfs/dbraw/zinc/52/79/74/1190527974.db2.gz OQTVGBXURAQICI-LVSKKATPSA-N 0 3 324.468 3.291 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1c(C)noc1C)C(C)C ZINC001568458881 1190528217 /nfs/dbraw/zinc/52/82/17/1190528217.db2.gz GDQJYMRKLJLZTD-MRXNPFEDSA-N 0 3 321.465 3.124 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1ccncc1Cl)C(C)C ZINC001568459633 1190528389 /nfs/dbraw/zinc/52/83/89/1190528389.db2.gz TZSDLDMHAJLZFY-HNNXBMFYSA-N 0 3 323.868 3.178 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC001568500963 1190551265 /nfs/dbraw/zinc/55/12/65/1190551265.db2.gz BHTYUNXLZYGTCZ-LLVKDONJSA-N 0 3 300.855 3.081 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H]3[C@@H](CCN3CCF)C2)CCCCC1 ZINC001568515671 1190556319 /nfs/dbraw/zinc/55/63/19/1190556319.db2.gz NPXUEXWNLFOGHU-IRXDYDNUSA-N 0 3 322.468 3.405 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H]3[C@H](CCN3CCF)C2)CCCCC1 ZINC001568515024 1190557051 /nfs/dbraw/zinc/55/70/51/1190557051.db2.gz FXHQEORIBNHFDW-SJORKVTESA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C/Cl ZINC001568520725 1190558227 /nfs/dbraw/zinc/55/82/27/1190558227.db2.gz SEGOBQSIJNVXAW-PPHUXIPZSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(SC)c1 ZINC001568551746 1190564913 /nfs/dbraw/zinc/56/49/13/1190564913.db2.gz RAYMMFOPLXIFDS-UHFFFAOYSA-N 0 3 310.438 3.128 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1F ZINC001568691016 1190579291 /nfs/dbraw/zinc/57/92/91/1190579291.db2.gz YOKKPDWCHCAGGO-STQMWFEESA-N 0 3 312.816 3.166 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001568774465 1190587857 /nfs/dbraw/zinc/58/78/57/1190587857.db2.gz BNVAQCOEKHVHIE-GOSISDBHSA-N 0 3 314.473 3.340 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(-c2ccco2)s1 ZINC001568788868 1190588980 /nfs/dbraw/zinc/58/89/80/1190588980.db2.gz ZFDPBVRDCUPFGC-UHFFFAOYSA-N 0 3 316.426 3.083 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CN[C@H]1CCc2c1cccc2F ZINC001568857275 1190595553 /nfs/dbraw/zinc/59/55/53/1190595553.db2.gz SVKYSJIZAXMHLF-JXCVUKRWSA-N 0 3 316.420 3.431 20 30 DGEDHN C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)CC(C)(C)C ZINC001568981043 1190604297 /nfs/dbraw/zinc/60/42/97/1190604297.db2.gz RFCVEWRGMYIPFF-CQSZACIVSA-N 0 3 320.864 3.222 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC1=CCCCC1 ZINC001569048489 1190613292 /nfs/dbraw/zinc/61/32/92/1190613292.db2.gz WHHBYKGRMNSHQA-ZDUSSCGKSA-N 0 3 317.458 3.105 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1CCC1CCCCCC1 ZINC001569355879 1190674648 /nfs/dbraw/zinc/67/46/48/1190674648.db2.gz OJNJKWMCFJTRAA-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001569360961 1190676595 /nfs/dbraw/zinc/67/65/95/1190676595.db2.gz IMJJPEUYASNBPD-MAUKXSAKSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001569365092 1190677065 /nfs/dbraw/zinc/67/70/65/1190677065.db2.gz WGSQSCPQSWZGJX-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1cccnc1C ZINC001569371181 1190679703 /nfs/dbraw/zinc/67/97/03/1190679703.db2.gz SQJPMDPSAWAWKB-MRXNPFEDSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001569380062 1190685237 /nfs/dbraw/zinc/68/52/37/1190685237.db2.gz NDJCKXVBRPEXMA-VXGBXAGGSA-N 0 3 312.866 3.272 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001569382869 1190687063 /nfs/dbraw/zinc/68/70/63/1190687063.db2.gz GULKOOMHDGVHSU-SFHVURJKSA-N 0 3 312.457 3.102 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001569477077 1190704830 /nfs/dbraw/zinc/70/48/30/1190704830.db2.gz AHZCLMLSYGTMHT-QFBILLFUSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001569477078 1190705332 /nfs/dbraw/zinc/70/53/32/1190705332.db2.gz AHZCLMLSYGTMHT-VQIMIIECSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001569573394 1190718727 /nfs/dbraw/zinc/71/87/27/1190718727.db2.gz QJFOTEJAZGWQCZ-BQYQJAHWSA-N 0 3 312.457 3.332 20 30 DGEDHN C#CCN(C(=O)C1CCCCCC1)C1CCN(CC=C)CC1 ZINC001569584764 1190720277 /nfs/dbraw/zinc/72/02/77/1190720277.db2.gz PYPJMQDTGLORSX-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)CC)C2 ZINC001569622772 1190725495 /nfs/dbraw/zinc/72/54/95/1190725495.db2.gz SJZUVYYNUNVYSI-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001569701912 1190743416 /nfs/dbraw/zinc/74/34/16/1190743416.db2.gz HCOHUKJRFNVECH-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2oc3ccccc3c2C)CC1 ZINC001569706924 1190744223 /nfs/dbraw/zinc/74/42/23/1190744223.db2.gz DGMNPRQTYZUDON-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C2CCN(CC#CC)CC2)C1 ZINC001569799271 1190755036 /nfs/dbraw/zinc/75/50/36/1190755036.db2.gz AXVBMYFEUPYHQT-LJQANCHMSA-N 0 3 316.489 3.317 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC(C)(C)CC ZINC001569869347 1190767323 /nfs/dbraw/zinc/76/73/23/1190767323.db2.gz TXWICENZMYWKAZ-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001569978296 1190778621 /nfs/dbraw/zinc/77/86/21/1190778621.db2.gz AGCVMLHILCSOBK-AWEZNQCLSA-N 0 3 310.825 3.091 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001569991418 1190779796 /nfs/dbraw/zinc/77/97/96/1190779796.db2.gz QYVXNPAPMGHTSF-RRFJBIMHSA-N 0 3 312.885 3.249 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(CC)CC ZINC001570026273 1190784049 /nfs/dbraw/zinc/78/40/49/1190784049.db2.gz ZXRGYQSNDKXCQW-UHFFFAOYSA-N 0 3 300.446 3.194 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2(CC=C)CCC2)cc1 ZINC001570031337 1190785397 /nfs/dbraw/zinc/78/53/97/1190785397.db2.gz MJPKIWMTNABADW-INIZCTEOSA-N 0 3 310.441 3.333 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)CCCC)cccc2C1 ZINC001570078456 1190791718 /nfs/dbraw/zinc/79/17/18/1190791718.db2.gz XVSQFOKPVZUBIS-UHFFFAOYSA-N 0 3 300.446 3.427 20 30 DGEDHN C#CCCCC(=O)NCc1cccc2c1CCN(CC(=C)C)C2 ZINC001570078469 1190791895 /nfs/dbraw/zinc/79/18/95/1190791895.db2.gz YBZVMQCMWVDOHH-UHFFFAOYSA-N 0 3 310.441 3.041 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001570185773 1190810935 /nfs/dbraw/zinc/81/09/35/1190810935.db2.gz RGHLGGPRCAORJM-MSOLQXFVSA-N 0 3 322.468 3.289 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001570202521 1190818198 /nfs/dbraw/zinc/81/81/98/1190818198.db2.gz BKNPSGMQHBGONR-IRXDYDNUSA-N 0 3 304.478 3.028 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001570202519 1190818233 /nfs/dbraw/zinc/81/82/33/1190818233.db2.gz BKNPSGMQHBGONR-DLBZAZTESA-N 0 3 304.478 3.028 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C(C)(C)c1ccccc1Cl ZINC001570216303 1190823705 /nfs/dbraw/zinc/82/37/05/1190823705.db2.gz YRRUEGQTHBCEJH-UHFFFAOYSA-N 0 3 320.864 3.031 20 30 DGEDHN C=CCCCC(=O)N1CCC(CC)(NCc2cc(C)on2)CC1 ZINC001570259591 1190831339 /nfs/dbraw/zinc/83/13/39/1190831339.db2.gz ZLGOYOSYRZOMLC-UHFFFAOYSA-N 0 3 319.449 3.200 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](CC)C(C)C)C2 ZINC001570275660 1190835627 /nfs/dbraw/zinc/83/56/27/1190835627.db2.gz ZZQWRSLGDYIKFK-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2F)C1 ZINC001570341799 1190841196 /nfs/dbraw/zinc/84/11/96/1190841196.db2.gz HIXCMTNECWCIOY-PBHICJAKSA-N 0 3 304.409 3.119 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001570429730 1190855109 /nfs/dbraw/zinc/85/51/09/1190855109.db2.gz WUCIGHUVADJOQV-MAUKXSAKSA-N 0 3 313.445 3.218 20 30 DGEDHN CCCCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001570429732 1190855405 /nfs/dbraw/zinc/85/54/05/1190855405.db2.gz WUCIGHUVADJOQV-YJBOKZPZSA-N 0 3 313.445 3.218 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@@H](C)C1 ZINC001570431714 1190856084 /nfs/dbraw/zinc/85/60/84/1190856084.db2.gz NDGSXQSFLGQZGH-RDJZCZTQSA-N 0 3 318.436 3.304 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2ccsc2)C[C@@H]1C ZINC001570436656 1190858351 /nfs/dbraw/zinc/85/83/51/1190858351.db2.gz CLOKYIRAIVTKLK-RDJZCZTQSA-N 0 3 318.486 3.063 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C1CCC1 ZINC001570477011 1190866266 /nfs/dbraw/zinc/86/62/66/1190866266.db2.gz NTGAKKFWPBAEOU-IBGZPJMESA-N 0 3 312.457 3.468 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl)C1 ZINC001570634295 1190907103 /nfs/dbraw/zinc/90/71/03/1190907103.db2.gz SIXICPRHCBYIDH-WDEREUQCSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@H](C)c1cccc(OC)c1 ZINC001570700850 1190922024 /nfs/dbraw/zinc/92/20/24/1190922024.db2.gz XNRULDBDVRSJEC-LSDHHAIUSA-N 0 3 304.434 3.159 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1coc2ccc(CC)cc21 ZINC001570711114 1190925800 /nfs/dbraw/zinc/92/58/00/1190925800.db2.gz WDGBPIUPKVPPDR-ZDUSSCGKSA-N 0 3 300.402 3.231 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001570710479 1190926201 /nfs/dbraw/zinc/92/62/01/1190926201.db2.gz IRUGFEASLLGYKH-CABCVRRESA-N 0 3 320.864 3.497 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC001570832577 1190962487 /nfs/dbraw/zinc/96/24/87/1190962487.db2.gz LGZOSFWEJMWZRN-OAHLLOKOSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001570843916 1190964450 /nfs/dbraw/zinc/96/44/50/1190964450.db2.gz SBOXXZRADCKFFS-MRXNPFEDSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001570864209 1190968674 /nfs/dbraw/zinc/96/86/74/1190968674.db2.gz UONQMGUWKTXXCF-IRXDYDNUSA-N 0 3 314.473 3.186 20 30 DGEDHN C=CCCCC(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001571333050 1190994882 /nfs/dbraw/zinc/99/48/82/1190994882.db2.gz DKVZQIKMYXAGAM-UHFFFAOYSA-N 0 3 324.468 3.317 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(N(C)Cc2ocnc2C)CC1 ZINC001571333332 1190995365 /nfs/dbraw/zinc/99/53/65/1190995365.db2.gz MUVVTDPCJZUGKX-OAHLLOKOSA-N 0 3 319.449 3.008 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001571355898 1191000669 /nfs/dbraw/zinc/00/06/69/1191000669.db2.gz ITTGFPXIOTYKCJ-RHSMWYFYSA-N 0 3 316.445 3.187 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2c(C)nsc2C)[C@H]1C ZINC001571461787 1191024317 /nfs/dbraw/zinc/02/43/17/1191024317.db2.gz SNRCWJHXCUBZPN-CJNGLKHVSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC001571483945 1191028506 /nfs/dbraw/zinc/02/85/06/1191028506.db2.gz YEJZYXWOMILWND-WMZOPIPTSA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001571521332 1191041366 /nfs/dbraw/zinc/04/13/66/1191041366.db2.gz QHOHYEXZAXGVLR-HKUYNNGSSA-N 0 3 312.457 3.349 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](CNCc2nccs2)C1 ZINC001571544477 1191048042 /nfs/dbraw/zinc/04/80/42/1191048042.db2.gz OFRDEXVZALBIKS-KGLIPLIRSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2nccs2)C1 ZINC001571544479 1191048218 /nfs/dbraw/zinc/04/82/18/1191048218.db2.gz OFRDEXVZALBIKS-ZIAGYGMSSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CO[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001571615614 1191062474 /nfs/dbraw/zinc/06/24/74/1191062474.db2.gz XWIIWGPGBHTQIG-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CCN(Cc2cncc(C)c2)CC1 ZINC001571643184 1191072653 /nfs/dbraw/zinc/07/26/53/1191072653.db2.gz VZTWWLSGSSOLRN-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](CC)CCCCC)CC1 ZINC001571651075 1191075671 /nfs/dbraw/zinc/07/56/71/1191075671.db2.gz MBTMJINMHHTJBS-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C(C)(C)c2cccc(F)c2)CC1 ZINC001571695231 1191084737 /nfs/dbraw/zinc/08/47/37/1191084737.db2.gz HSERLRSWDUEECA-UHFFFAOYSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(C(F)(F)F)CCCC2)CC1 ZINC001571701778 1191085413 /nfs/dbraw/zinc/08/54/13/1191085413.db2.gz VQNJYWOOPGRSKQ-UHFFFAOYSA-N 0 3 316.367 3.043 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC001574908125 1191457508 /nfs/dbraw/zinc/45/75/08/1191457508.db2.gz DUFONPRJACKMBC-WCWCZOKXSA-N 0 3 304.478 3.393 20 30 DGEDHN CC#CC[C@H](N)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001574971366 1191460645 /nfs/dbraw/zinc/46/06/45/1191460645.db2.gz CSZIIQGSTQUHQR-IBGZPJMESA-N 0 3 312.457 3.134 20 30 DGEDHN CC(C)[C@H]([NH3+])C(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001575445290 1191482997 /nfs/dbraw/zinc/48/29/97/1191482997.db2.gz SHLKVDLMKLAUPB-INIZCTEOSA-N 0 3 306.450 3.237 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1ccc(F)cc1F ZINC001618813578 1193753295 /nfs/dbraw/zinc/75/32/95/1193753295.db2.gz IRMRHFDXECCDHP-AWEZNQCLSA-N 0 3 324.415 3.425 20 30 DGEDHN C=C1CCC(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC001624428774 1193998061 /nfs/dbraw/zinc/99/80/61/1193998061.db2.gz UBFVWLWDBBYDTM-UHFFFAOYSA-N 0 3 312.457 3.297 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(C(F)(F)F)c1 ZINC001626745380 1194093331 /nfs/dbraw/zinc/09/33/31/1194093331.db2.gz XCLKLAUBJGQMHL-UHFFFAOYSA-N 0 3 314.351 3.285 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)c2occc21 ZINC001626754989 1194093863 /nfs/dbraw/zinc/09/38/63/1194093863.db2.gz OKLPCYBHBUUZLS-UHFFFAOYSA-N 0 3 304.365 3.152 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc(Cl)s1 ZINC001626751220 1194094327 /nfs/dbraw/zinc/09/43/27/1194094327.db2.gz YVDOFZWSLFDXGQ-VQHVLOKHSA-N 0 3 312.866 3.381 20 30 DGEDHN C=C(C)CCC(=O)N(CCCc1ccccc1)CCN(C)C ZINC001626891330 1194100342 /nfs/dbraw/zinc/10/03/42/1194100342.db2.gz VSOOLJQDZWEACZ-UHFFFAOYSA-N 0 3 302.462 3.366 20 30 DGEDHN C#C[C@H](NC(=O)[C@@H]1CCCCN1CCC)c1ccc(Cl)cc1 ZINC001629256658 1194223424 /nfs/dbraw/zinc/22/34/24/1194223424.db2.gz NWZHPTWGFSFXDT-IRXDYDNUSA-N 0 3 318.848 3.395 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001635758093 1194569948 /nfs/dbraw/zinc/56/99/48/1194569948.db2.gz XNHWAQGRDBBVCB-ZIAGYGMSSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001635757803 1194570532 /nfs/dbraw/zinc/57/05/32/1194570532.db2.gz MHJYJMHJPOCPJS-CABCVRRESA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1C ZINC001638829741 1194740018 /nfs/dbraw/zinc/74/00/18/1194740018.db2.gz XRCQUVDJFJAHSV-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001640015612 1194791266 /nfs/dbraw/zinc/79/12/66/1194791266.db2.gz FOKQKGDZNUTTCD-CQSZACIVSA-N 0 3 320.502 3.453 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2nccc(C)c2c1 ZINC001640020520 1194792037 /nfs/dbraw/zinc/79/20/37/1194792037.db2.gz WLYRDZKJMONZRU-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCC(OC3CCCC3)CC2)c1 ZINC001641667445 1194865770 /nfs/dbraw/zinc/86/57/70/1194865770.db2.gz VHUYXGHQALIOJG-IBGZPJMESA-N 0 3 314.429 3.015 20 30 DGEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)c(F)c1 ZINC001642544457 1194918504 /nfs/dbraw/zinc/91/85/04/1194918504.db2.gz VJQGHDSKGPQPII-CJNGLKHVSA-N 0 3 317.408 3.126 20 30 DGEDHN C=CCN(C)CCN(CC)CC(F)(F)c1ccc(F)cc1 ZINC001642917835 1194953752 /nfs/dbraw/zinc/95/37/52/1194953752.db2.gz NLZNXGOCTYLZEV-UHFFFAOYSA-N 0 3 300.368 3.357 20 30 DGEDHN Cc1nsc(N2CCN(C[C@H]3CCC[C@H](C)C3)CC2)c1C#N ZINC001643266518 1195009162 /nfs/dbraw/zinc/00/91/62/1195009162.db2.gz LJHPPXOCHSWJIC-ZFWWWQNUSA-N 0 3 318.490 3.272 20 30 DGEDHN O=C1CCN(CC#Cc2cccc(Cl)c2)CCCCCCN1 ZINC001644105234 1195082517 /nfs/dbraw/zinc/08/25/17/1195082517.db2.gz HPNKARAXNWMQAC-UHFFFAOYSA-N 0 3 318.848 3.074 20 30 DGEDHN CC[C@@H](CC(F)F)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001644193466 1195087995 /nfs/dbraw/zinc/08/79/95/1195087995.db2.gz ACBJDGUMTOKXRJ-AWEZNQCLSA-N 0 3 307.388 3.362 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)c(F)c2)cn1 ZINC001644284058 1195094618 /nfs/dbraw/zinc/09/46/18/1195094618.db2.gz LJIKRQSVZUHWMM-ZNXRZULTSA-N 0 3 324.403 3.341 20 30 DGEDHN COc1cccc(C[C@H]2CCCN2Cc2cc(C#N)ccn2)c1 ZINC001644364053 1195103026 /nfs/dbraw/zinc/10/30/26/1195103026.db2.gz LCUYFLLDBPAVOI-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN C=CCOCCN1CCc2cc(OC)c(OC)cc2[C@@H]1C1CC1 ZINC001644469896 1195110661 /nfs/dbraw/zinc/11/06/61/1195110661.db2.gz MFXCFLDTQOCXKE-IBGZPJMESA-N 0 3 317.429 3.216 20 30 DGEDHN C[C@H]1CN(C(=O)/C=C\c2ccccc2C#N)CCN1C1CCCC1 ZINC001644595632 1195119505 /nfs/dbraw/zinc/11/95/05/1195119505.db2.gz SEIWKQIBGMEKOG-SNGWPZLWSA-N 0 3 323.440 3.047 20 30 DGEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(C)c2)C1 ZINC001644688868 1195127245 /nfs/dbraw/zinc/12/72/45/1195127245.db2.gz DSZWCTCFZBRQHY-UXHICEINSA-N 0 3 324.468 3.335 20 30 DGEDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)c2cccc(C#N)c2)n1 ZINC001644778453 1195133515 /nfs/dbraw/zinc/13/35/15/1195133515.db2.gz BSWRIJXIPLTSRG-RTBURBONSA-N 0 3 307.397 3.132 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2csc(C)n2)C[C@@H]1C ZINC001671230685 1195238769 /nfs/dbraw/zinc/23/87/69/1195238769.db2.gz HDXNQPKVVLGCRR-DZGCQCFKSA-N 0 3 321.490 3.277 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001647736632 1195250990 /nfs/dbraw/zinc/25/09/90/1195250990.db2.gz GVGFMRNXNOMHHU-QGZVFWFLSA-N 0 3 320.477 3.369 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C2CCCCC2)C1 ZINC001647854672 1195259834 /nfs/dbraw/zinc/25/98/34/1195259834.db2.gz PWNCITZHOXEVNN-QGZVFWFLSA-N 0 3 305.466 3.041 20 30 DGEDHN CN(C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@@H]1C#N ZINC001647993413 1195269722 /nfs/dbraw/zinc/26/97/22/1195269722.db2.gz NAQOUGJMCQTPDR-ZJIFWQFVSA-N 0 3 321.465 3.304 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC001649443315 1195339839 /nfs/dbraw/zinc/33/98/39/1195339839.db2.gz KNVFXFUWAAOSBY-HAGHYFMRSA-N 0 3 324.468 3.283 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)ccc2N(C)C)C1(C)C ZINC001651750576 1195505057 /nfs/dbraw/zinc/50/50/57/1195505057.db2.gz IPDFLOUOOIAHCO-ROUUACIJSA-N 0 3 315.461 3.260 20 30 DGEDHN C#C[C@@H](NCc1ccc(C(=O)OC)cc1C(F)(F)F)C(C)C ZINC001652413308 1195594519 /nfs/dbraw/zinc/59/45/19/1195594519.db2.gz NZWKHAXOZLYDGW-CQSZACIVSA-N 0 3 313.319 3.239 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCC2CCC2)CC1 ZINC001652427518 1195595893 /nfs/dbraw/zinc/59/58/93/1195595893.db2.gz ZOCNRGWVJHRXOD-UHFFFAOYSA-N 0 3 320.440 3.419 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C)(C)CC1 ZINC001652420390 1195596056 /nfs/dbraw/zinc/59/60/56/1195596056.db2.gz HXZIIGADHIXQMY-KOHRHEQBSA-N 0 3 319.493 3.428 20 30 DGEDHN C#CCOc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC001652509346 1195608292 /nfs/dbraw/zinc/60/82/92/1195608292.db2.gz KBNRJRZQOZEMJN-UHFFFAOYSA-N 0 3 316.404 3.412 20 30 DGEDHN N#Cc1cccc([C@@H](O)CN2CCSC[C@H]2c2ccccc2)c1 ZINC001652515743 1195610166 /nfs/dbraw/zinc/61/01/66/1195610166.db2.gz QFBPLCWZABKNOO-OALUTQOASA-N 0 3 324.449 3.382 20 30 DGEDHN CC[C@@](CNCC#Cc1ccccc1)(C(=O)OC)c1ccccc1 ZINC001652653826 1195632392 /nfs/dbraw/zinc/63/23/92/1195632392.db2.gz AKZWCNZNTVKOKG-NRFANRHFSA-N 0 3 321.420 3.149 20 30 DGEDHN C[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001653105269 1195688230 /nfs/dbraw/zinc/68/82/30/1195688230.db2.gz OZAHOTNHZNGKSA-PIGZYNQJSA-N 0 3 302.324 3.221 20 30 DGEDHN C=C(Cl)CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001654383309 1195798765 /nfs/dbraw/zinc/79/87/65/1195798765.db2.gz QXJKXECLMMZZLW-RAIGVLPGSA-N 0 3 302.846 3.363 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN2CCC=C(c3ccco3)C2)cc1 ZINC001654421913 1195801725 /nfs/dbraw/zinc/80/17/25/1195801725.db2.gz PCHUFOHNTRGVJE-UHFFFAOYSA-N 0 3 320.392 3.379 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001654527586 1195813741 /nfs/dbraw/zinc/81/37/41/1195813741.db2.gz GTIOKTBESBSRPC-FQEVSTJZSA-N 0 3 316.489 3.255 20 30 DGEDHN OC[C@@]1(c2ccccc2)CCCN1CC#Cc1ccc(F)cc1 ZINC001655898459 1195974685 /nfs/dbraw/zinc/97/46/85/1195974685.db2.gz KAZPQGBQNWMLGL-HXUWFJFHSA-N 0 3 309.384 3.161 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccc(C)cc1C ZINC001656080923 1195995813 /nfs/dbraw/zinc/99/58/13/1195995813.db2.gz QHNJUJDOBVDIFI-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CCCOC(C)C)CC1 ZINC001656088056 1195998306 /nfs/dbraw/zinc/99/83/06/1195998306.db2.gz FSBVCDNGBCOTOX-SFHVURJKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@H](CC(=O)N(C)C[C@H]1CCN1CCC)c1ccccc1 ZINC001656109454 1196004806 /nfs/dbraw/zinc/00/48/06/1196004806.db2.gz KWMPMMCQKCNTQO-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001656157419 1196011663 /nfs/dbraw/zinc/01/16/63/1196011663.db2.gz QUOBNZTYGQTAFE-SIXWZSSISA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2cccc(F)c2F)C1 ZINC001656271110 1196025845 /nfs/dbraw/zinc/02/58/45/1196025845.db2.gz BBXDSLBYURQHHP-DZGCQCFKSA-N 0 3 322.399 3.306 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1C/C=C/c1ccccc1 ZINC001656708085 1196064249 /nfs/dbraw/zinc/06/42/49/1196064249.db2.gz UDMGAQXMDGAEIS-RHYMJRRZSA-N 0 3 324.468 3.328 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CCCC23OCCO3)cc1Cl ZINC001656717429 1196065317 /nfs/dbraw/zinc/06/53/17/1196065317.db2.gz FRWSGOPSVGEOMJ-INIZCTEOSA-N 0 3 323.820 3.290 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)Cc2cccc(C)c2)[C@H]1C ZINC001657008275 1196092387 /nfs/dbraw/zinc/09/23/87/1196092387.db2.gz XCTNVZIMHJIBIV-QRQLOZEOSA-N 0 3 314.473 3.329 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCc1cccc2cccnc21 ZINC001657010428 1196093313 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C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001669872810 1197496708 /nfs/dbraw/zinc/49/67/08/1197496708.db2.gz KEWBJUAPOSRVGT-OAHLLOKOSA-N 0 3 306.425 3.427 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1cccc(F)c1Cl ZINC001670038620 1197516921 /nfs/dbraw/zinc/51/69/21/1197516921.db2.gz OZVVUJMPRPGTLQ-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1coc(C(F)F)c1 ZINC001670223949 1197526473 /nfs/dbraw/zinc/52/64/73/1197526473.db2.gz YDVZPKVAZMMXFB-UHFFFAOYSA-N 0 3 306.740 3.021 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cccc([C@@H](C)CC)c1 ZINC001671838764 1197574219 /nfs/dbraw/zinc/57/42/19/1197574219.db2.gz RDHVGRZMNJPOOC-HNNXBMFYSA-N 0 3 301.434 3.277 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cccc([C@H](C)CC)c1 ZINC001671838765 1197574408 /nfs/dbraw/zinc/57/44/08/1197574408.db2.gz RDHVGRZMNJPOOC-OAHLLOKOSA-N 0 3 301.434 3.277 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1CC ZINC001672177635 1197594799 /nfs/dbraw/zinc/59/47/99/1197594799.db2.gz ZGJHROGXPZMZPR-WCIQWLHISA-N 0 3 324.468 3.065 20 30 DGEDHN C#CCN(C)CCCNC(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001672303424 1197604298 /nfs/dbraw/zinc/60/42/98/1197604298.db2.gz YRFQITWBSUBAAE-SJORKVTESA-N 0 3 321.509 3.093 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001672472891 1197612684 /nfs/dbraw/zinc/61/26/84/1197612684.db2.gz CIKIBEIBBCUVBC-NVXWUHKLSA-N 0 3 305.466 3.144 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccoc2Cl)cc1 ZINC001672936967 1197629618 /nfs/dbraw/zinc/62/96/18/1197629618.db2.gz GRLDMGNBSQMQII-LBPRGKRZSA-N 0 3 316.788 3.147 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2cc(C)on2)CC1 ZINC001672965944 1197631933 /nfs/dbraw/zinc/63/19/33/1197631933.db2.gz UHQCEKKPNAGLFF-WKILWMFISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001673013589 1197634785 /nfs/dbraw/zinc/63/47/85/1197634785.db2.gz UHLMSFKGRLNDHJ-SBJJXXPASA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCC1(C(=O)N2CC3(C2)CCN(C/C=C/Cl)CC3)CCC1 ZINC001673016275 1197634833 /nfs/dbraw/zinc/63/48/33/1197634833.db2.gz FBWCRXWAGAJOOT-ONNFQVAWSA-N 0 3 322.880 3.410 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2cccnc2C)CC1 ZINC001673390538 1197654659 /nfs/dbraw/zinc/65/46/59/1197654659.db2.gz FBQSDODXGPGABF-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(Cl)c(CCC)c1 ZINC001673483273 1197666742 /nfs/dbraw/zinc/66/67/42/1197666742.db2.gz OMAQWPLNRIXSND-UHFFFAOYSA-N 0 3 320.864 3.320 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)CCC)C2 ZINC001673639448 1197683387 /nfs/dbraw/zinc/68/33/87/1197683387.db2.gz JENOJSWLMUJWNY-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C=C(CC)CC)C2 ZINC001673644754 1197683416 /nfs/dbraw/zinc/68/34/16/1197683416.db2.gz AYUHMHHGWBAZBN-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@](C)(F)CCCC)C2 ZINC001673645613 1197683721 /nfs/dbraw/zinc/68/37/21/1197683721.db2.gz MAPQHEKFGIHQCF-RTBURBONSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)C(C)(C)F)cc2C1 ZINC001673756837 1197689715 /nfs/dbraw/zinc/68/97/15/1197689715.db2.gz ZJYIIBFSMUOWDJ-UHFFFAOYSA-N 0 3 304.409 3.333 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(C)ccc2F)[C@@H](C)C1 ZINC001673854243 1197697993 /nfs/dbraw/zinc/69/79/93/1197697993.db2.gz HFMUHSZYTXUEAC-YOEHRIQHSA-N 0 3 304.409 3.037 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(C)cc2)C(C)(C)C1 ZINC001674023202 1197723340 /nfs/dbraw/zinc/72/33/40/1197723340.db2.gz KYIFXNJQESYPPQ-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1c(F)cccc1F ZINC001674469836 1197781002 /nfs/dbraw/zinc/78/10/02/1197781002.db2.gz OUMSDDXYCOEQCA-KGLIPLIRSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3c2CCC3)C1 ZINC001674612336 1197802601 /nfs/dbraw/zinc/80/26/01/1197802601.db2.gz SMJCUEGBDXNBOE-UHFFFAOYSA-N 0 3 318.848 3.026 20 30 DGEDHN CCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001674633318 1197810976 /nfs/dbraw/zinc/81/09/76/1197810976.db2.gz KENBGFDJSXFQEC-CABCVRRESA-N 0 3 320.864 3.365 20 30 DGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H](C)NC(=O)CC(C)(C)C ZINC001674632597 1197811503 /nfs/dbraw/zinc/81/15/03/1197811503.db2.gz BZONQZFUSCUXOS-HUUCEWRRSA-N 0 3 318.436 3.096 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001674674957 1197829616 /nfs/dbraw/zinc/82/96/16/1197829616.db2.gz ZNTWJXGGWBBRPM-NWDGAFQWSA-N 0 3 309.479 3.099 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674723569 1197849362 /nfs/dbraw/zinc/84/93/62/1197849362.db2.gz ZTRPJRNQOZFSCO-ZIAGYGMSSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2cccc(Cl)n2)C1 ZINC001674729887 1197852882 /nfs/dbraw/zinc/85/28/82/1197852882.db2.gz XBGKIZGPHQDSDO-OLZOCXBDSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCOc1ccccc1C ZINC001674976914 1197940624 /nfs/dbraw/zinc/94/06/24/1197940624.db2.gz UHWWPYZZSQNZCH-INIZCTEOSA-N 0 3 318.461 3.023 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1csc(C)n1 ZINC001674992363 1197952022 /nfs/dbraw/zinc/95/20/22/1197952022.db2.gz XYDWCNSPPXWRJT-CXAGYDPISA-N 0 3 323.506 3.033 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CSC(C)C)CCCCC1 ZINC001675164029 1197996185 /nfs/dbraw/zinc/99/61/85/1197996185.db2.gz BMXYYNZHIZVEPW-UHFFFAOYSA-N 0 3 318.914 3.289 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccco1 ZINC001675214453 1198007377 /nfs/dbraw/zinc/00/73/77/1198007377.db2.gz SVDSKWNSTFGFSN-GOSISDBHSA-N 0 3 324.424 3.210 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001675285412 1198038241 /nfs/dbraw/zinc/03/82/41/1198038241.db2.gz JXVPWEIHZYICLC-INIZCTEOSA-N 0 3 300.446 3.206 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)CC)C[C@@H]2C1 ZINC001675643896 1198101949 /nfs/dbraw/zinc/10/19/49/1198101949.db2.gz WZYIBBAPMAPNKF-RRFJBIMHSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Br)CNCCC[C@H](C)NC(=O)/C(C)=C\CC ZINC001675864385 1198161125 /nfs/dbraw/zinc/16/11/25/1198161125.db2.gz ZUEPHXIIHHHVBU-YLBKJLTLSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C)cc1OC ZINC001676006790 1198192006 /nfs/dbraw/zinc/19/20/06/1198192006.db2.gz QXJZXDWMQOULQR-CQSZACIVSA-N 0 3 324.852 3.244 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnc(C)s2)[C@H]1C ZINC001676651049 1198357947 /nfs/dbraw/zinc/35/79/47/1198357947.db2.gz RWPNZTMVAJOERU-DOMZBBRYSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CC3(C)CCCC3)CCC[C@H]12 ZINC001676801990 1198391891 /nfs/dbraw/zinc/39/18/91/1198391891.db2.gz BXEABTFROUJIMA-LPHOPBHVSA-N 0 3 302.462 3.093 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCc3ccc(C)cc3)CCC[C@H]12 ZINC001676810672 1198398299 /nfs/dbraw/zinc/39/82/99/1198398299.db2.gz VWHIMALYRFZFHT-PZJWPPBQSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC001676860116 1198413296 /nfs/dbraw/zinc/41/32/96/1198413296.db2.gz POZDHHFOQPONHX-ZIAGYGMSSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC001676860358 1198414802 /nfs/dbraw/zinc/41/48/02/1198414802.db2.gz SUYXIRIVVNZVGC-FUHWJXTLSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc(OCC)c1)C(C)C ZINC001677211636 1198490386 /nfs/dbraw/zinc/49/03/86/1198490386.db2.gz TUSLUBAPGZVUPT-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@H]1CCCCO1)C(C)C ZINC001677211697 1198490462 /nfs/dbraw/zinc/49/04/62/1198490462.db2.gz VROZJXFMTKKNRC-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](CNCc1ccccc1F)C(C)(C)C ZINC001677248055 1198500714 /nfs/dbraw/zinc/50/07/14/1198500714.db2.gz VTCAGLJQQGFADJ-KRWDZBQOSA-N 0 3 318.436 3.106 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@](C)(CO)C2)ccc1OC ZINC000093341332 1198679538 /nfs/dbraw/zinc/67/95/38/1198679538.db2.gz NEABWGREPQNEHF-IBGZPJMESA-N 0 3 319.445 3.245 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001691757725 1198722197 /nfs/dbraw/zinc/72/21/97/1198722197.db2.gz MAADCNPZEAILIO-UXLLHSPISA-N 0 3 310.869 3.360 20 30 DGEDHN C=CC(C)(C)CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001681184396 1198955072 /nfs/dbraw/zinc/95/50/72/1198955072.db2.gz XNCSGKDCDBRLBV-UHFFFAOYSA-N 0 3 307.482 3.106 20 30 DGEDHN C=CCCCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001681596956 1199041973 /nfs/dbraw/zinc/04/19/73/1199041973.db2.gz VLACRBYZVINQIZ-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001681712762 1199068065 /nfs/dbraw/zinc/06/80/65/1199068065.db2.gz BACDEHFGQSBAFD-QZTJIDSGSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001688878961 1199938724 /nfs/dbraw/zinc/93/87/24/1199938724.db2.gz SSIZLBVILAJTPE-RTBURBONSA-N 0 3 312.457 3.289 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC/C=C/CC)cc1 ZINC001688881304 1199940663 /nfs/dbraw/zinc/94/06/63/1199940663.db2.gz OYPXOWKHSUTJNL-OVKVCFKUSA-N 0 3 310.441 3.171 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1F ZINC001688891856 1199946468 /nfs/dbraw/zinc/94/64/68/1199946468.db2.gz YQONOIKKNIXEQY-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C[C@H](C(=O)N(C)C[C@H]1CCN1CCCC)c1ccccc1 ZINC001688896484 1199949058 /nfs/dbraw/zinc/94/90/58/1199949058.db2.gz FLHMBSUSMYOFLY-MSOLQXFVSA-N 0 3 300.446 3.289 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc(Cl)sc1Cl ZINC001753854875 1200002363 /nfs/dbraw/zinc/00/23/63/1200002363.db2.gz BHJXJWLMSOQMEG-UHFFFAOYSA-N 0 3 319.257 3.082 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001753857077 1200005021 /nfs/dbraw/zinc/00/50/21/1200005021.db2.gz FHLYXBOFWJFXLC-KGLIPLIRSA-N 0 3 320.399 3.321 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1c(Cl)oc2ccccc21 ZINC001753860564 1200010233 /nfs/dbraw/zinc/01/02/33/1200010233.db2.gz CPCVMQXHKWKGRX-UHFFFAOYSA-N 0 3 318.804 3.113 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(F)ccc(F)c1Cl ZINC001753863632 1200014617 /nfs/dbraw/zinc/01/46/17/1200014617.db2.gz HBGVFPHVSQWYPS-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1c(F)cccc1F ZINC001753988728 1200060278 /nfs/dbraw/zinc/06/02/78/1200060278.db2.gz LPPDKSJDYPKSHD-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C)c(F)c1F ZINC001754002122 1200067338 /nfs/dbraw/zinc/06/73/38/1200067338.db2.gz NQUCYDDEDCURRT-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001754004050 1200068891 /nfs/dbraw/zinc/06/88/91/1200068891.db2.gz SCPLYMMKRWCQFW-KKUMJFAQSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCCCC(=O)N1CCCCC[C@@H](NCC(=C)Cl)C1 ZINC001689259156 1200071935 /nfs/dbraw/zinc/07/19/35/1200071935.db2.gz DCZCIENFHFUOOS-MRXNPFEDSA-N 0 3 310.869 3.293 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001754017444 1200072807 /nfs/dbraw/zinc/07/28/07/1200072807.db2.gz UWHZFRGXDGZQAC-HYVNUMGLSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)c1cccc(OC)c1 ZINC001754026233 1200076003 /nfs/dbraw/zinc/07/60/03/1200076003.db2.gz XITPDYIGEUKEGQ-UONOGXRCSA-N 0 3 324.852 3.036 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)/C=C\C(C)(C)C ZINC001754039462 1200083146 /nfs/dbraw/zinc/08/31/46/1200083146.db2.gz VLTJGZIYRBTMGG-HJWRWDBZSA-N 0 3 319.474 3.160 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001689295945 1200087681 /nfs/dbraw/zinc/08/76/81/1200087681.db2.gz OSQMAZUMDSIGRY-AEFFLSMTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1 ZINC001689353328 1200107297 /nfs/dbraw/zinc/10/72/97/1200107297.db2.gz DPYVEXQXONIITL-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN Cc1cc(Cl)ccc1CNC/C=C\CNC(=O)C#CC(C)C ZINC001754129624 1200110635 /nfs/dbraw/zinc/11/06/35/1200110635.db2.gz DYCYLBHARMYINO-PLNGDYQASA-N 0 3 318.848 3.070 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccc(Cl)c(F)c1 ZINC001754157304 1200116391 /nfs/dbraw/zinc/11/63/91/1200116391.db2.gz SZZKYXLPEUGJDS-AATRIKPKSA-N 0 3 324.827 3.453 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C/CNCc2ccsc2)CC1 ZINC001754166707 1200121107 /nfs/dbraw/zinc/12/11/07/1200121107.db2.gz RJMLSNQQTHOLOQ-NSCUHMNNSA-N 0 3 304.459 3.257 20 30 DGEDHN C=CCOCC(=O)N[C@H](C)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754305081 1200189079 /nfs/dbraw/zinc/18/90/79/1200189079.db2.gz HPBMROPVXPPYFR-KGLIPLIRSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCOc1cccc(C)c1 ZINC001754318580 1200203826 /nfs/dbraw/zinc/20/38/26/1200203826.db2.gz IEGAFSCWQLQATI-INIZCTEOSA-N 0 3 318.461 3.023 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001754322872 1200212180 /nfs/dbraw/zinc/21/21/80/1200212180.db2.gz KFWYHIAAMOUQLF-RDTXWAMCSA-N 0 3 306.425 3.365 20 30 DGEDHN CC(C)(C)/C=C/C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754435836 1200262774 /nfs/dbraw/zinc/26/27/74/1200262774.db2.gz MRYHBAWZFNLLNQ-JKIKYLSZSA-N 0 3 324.468 3.125 20 30 DGEDHN CC#CCN(C)CCCNC(=O)CCc1ccc(C(C)C)cc1 ZINC001689815319 1200293841 /nfs/dbraw/zinc/29/38/41/1200293841.db2.gz LFLYANAKXDKBRF-UHFFFAOYSA-N 0 3 314.473 3.204 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001754482765 1200294608 /nfs/dbraw/zinc/29/46/08/1200294608.db2.gz SEEYOPDBVITAAD-KRWDZBQOSA-N 0 3 316.445 3.082 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001754485720 1200295975 /nfs/dbraw/zinc/29/59/75/1200295975.db2.gz ANIGHIBCEXMECL-ZIAGYGMSSA-N 0 3 302.409 3.193 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001754488139 1200298658 /nfs/dbraw/zinc/29/86/58/1200298658.db2.gz XAIIIXZFMHRTOQ-INIZCTEOSA-N 0 3 304.409 3.158 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001754491824 1200304024 /nfs/dbraw/zinc/30/40/24/1200304024.db2.gz PZESZHUZOCPALC-SFHVURJKSA-N 0 3 300.446 3.409 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001754494570 1200307305 /nfs/dbraw/zinc/30/73/05/1200307305.db2.gz UUZCOBCSFDWVTR-ZDUSSCGKSA-N 0 3 309.841 3.219 20 30 DGEDHN C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001689895803 1200318832 /nfs/dbraw/zinc/31/88/32/1200318832.db2.gz CDKTXDMBGDZXMI-WBVHZDCISA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cncs1 ZINC001689904958 1200325226 /nfs/dbraw/zinc/32/52/26/1200325226.db2.gz FQKRGMPIWJHCGT-HOCLYGCPSA-N 0 3 321.490 3.359 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cncs1 ZINC001689904957 1200325445 /nfs/dbraw/zinc/32/54/45/1200325445.db2.gz FQKRGMPIWJHCGT-GOEBONIOSA-N 0 3 321.490 3.359 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1ccc(F)cn1 ZINC001689947463 1200341646 /nfs/dbraw/zinc/34/16/46/1200341646.db2.gz KNOHYBSWFIVIRT-UHFFFAOYSA-N 0 3 321.440 3.151 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCCC[C@@H]1[C@H]1CCN(CC#CC)C1 ZINC001754537937 1200348028 /nfs/dbraw/zinc/34/80/28/1200348028.db2.gz GVQLYHFUOYTLBI-KWFFUSLTSA-N 0 3 314.473 3.235 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001754557510 1200361104 /nfs/dbraw/zinc/36/11/04/1200361104.db2.gz IWIOXQOYPUMNGN-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001754557551 1200361634 /nfs/dbraw/zinc/36/16/34/1200361634.db2.gz JNBDDHPMIILRIX-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1ccccn1)C1CC1 ZINC001690000686 1200363613 /nfs/dbraw/zinc/36/36/13/1200363613.db2.gz MUGGJWVKKDSPBW-UHFFFAOYSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C(CC(C)C)CC(C)C)C2)C1 ZINC001754569348 1200369952 /nfs/dbraw/zinc/36/99/52/1200369952.db2.gz MPADNCQKGMXRLP-FQEVSTJZSA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C(CC(C)C)CC(C)C)C2)C1 ZINC001754569349 1200370813 /nfs/dbraw/zinc/37/08/13/1200370813.db2.gz MPADNCQKGMXRLP-HXUWFJFHSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001754615179 1200396309 /nfs/dbraw/zinc/39/63/09/1200396309.db2.gz DJEOAOWYGDYNBU-LVSKKATPSA-N 0 3 322.452 3.141 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)CCC)C2 ZINC001754661111 1200422886 /nfs/dbraw/zinc/42/28/86/1200422886.db2.gz WYOBOPOYCXZELY-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001754680392 1200438559 /nfs/dbraw/zinc/43/85/59/1200438559.db2.gz LUGWZBZMIRPGPP-RLLQIKCJSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001754681582 1200441903 /nfs/dbraw/zinc/44/19/03/1200441903.db2.gz CUVVBFXCEDPUDK-RDTXWAMCSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001690192976 1200446900 /nfs/dbraw/zinc/44/69/00/1200446900.db2.gz UGVUSKRHWZVMMX-KQPPXVQYSA-N 0 3 324.896 3.493 20 30 DGEDHN C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001754687306 1200447414 /nfs/dbraw/zinc/44/74/14/1200447414.db2.gz NKKWVTCBPQZWKX-HNAYVOBHSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001690209592 1200455119 /nfs/dbraw/zinc/45/51/19/1200455119.db2.gz DESXOGIDKBYEJI-BOLBYERCSA-N 0 3 324.468 3.356 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](CC)CCC)C2)CC1 ZINC001754783967 1200488142 /nfs/dbraw/zinc/48/81/42/1200488142.db2.gz SNLJANZAWWNBKU-IEBWSBKVSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001690357609 1200511398 /nfs/dbraw/zinc/51/13/98/1200511398.db2.gz ZWHXGCREPAYKHR-PHIMTYICSA-N 0 3 305.249 3.145 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001754837128 1200515234 /nfs/dbraw/zinc/51/52/34/1200515234.db2.gz DKVVQRRCOSRYRQ-UXHICEINSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2c(C)nsc2C)C1 ZINC001690377184 1200524121 /nfs/dbraw/zinc/52/41/21/1200524121.db2.gz WMJFWGOYGQIPSX-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001754946487 1200548126 /nfs/dbraw/zinc/54/81/26/1200548126.db2.gz KEXLVYUYBSSWRG-VQTJNVASSA-N 0 3 324.468 3.194 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CC(C)(F)F)cc1 ZINC001754947811 1200550216 /nfs/dbraw/zinc/55/02/16/1200550216.db2.gz BOJBZFLQMPBQEY-ZDUSSCGKSA-N 0 3 308.372 3.022 20 30 DGEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001690440563 1200557138 /nfs/dbraw/zinc/55/71/38/1200557138.db2.gz HXPQIJIIKBEZRV-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1F ZINC001690447094 1200563490 /nfs/dbraw/zinc/56/34/90/1200563490.db2.gz YEGNHAGWZOSXEQ-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](OCC)C1CCCC1 ZINC001690450435 1200565723 /nfs/dbraw/zinc/56/57/23/1200565723.db2.gz JIQMAJJBPOKOCT-ZWKOTPCHSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1c(F)cccc1F ZINC001690453095 1200567647 /nfs/dbraw/zinc/56/76/47/1200567647.db2.gz RBBMBTSBASBRFU-AWEZNQCLSA-N 0 3 322.399 3.054 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(CC)c(CC)c2)CCC1 ZINC001754995755 1200578922 /nfs/dbraw/zinc/57/89/22/1200578922.db2.gz NLDRXNFEZCZTHZ-UHFFFAOYSA-N 0 3 312.457 3.077 20 30 DGEDHN CC/C=C\CCN1Cc2ccc(CNC(=O)[C@H](C)C#N)cc2C1 ZINC001755101321 1200635043 /nfs/dbraw/zinc/63/50/43/1200635043.db2.gz ZEMILHQXYZTSMC-FOSCPCJNSA-N 0 3 311.429 3.134 20 30 DGEDHN C=CCCCC(=O)N1CCC(C)(NCc2nc(C)cs2)CC1 ZINC001755131160 1200649534 /nfs/dbraw/zinc/64/95/34/1200649534.db2.gz CMJHDTYCGGLSCE-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001755136615 1200654067 /nfs/dbraw/zinc/65/40/67/1200654067.db2.gz CLUSOTOXGMAGCQ-KRWDZBQOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001755136615 1200654071 /nfs/dbraw/zinc/65/40/71/1200654071.db2.gz CLUSOTOXGMAGCQ-KRWDZBQOSA-N 0 3 316.445 3.189 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](CC)CCCC)C(C)(C)C1 ZINC001755138195 1200655967 /nfs/dbraw/zinc/65/59/67/1200655967.db2.gz ZGZSRGMUUNDKKB-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CC(C)C)CCCC2)C[C@H]1C ZINC001755167643 1200674329 /nfs/dbraw/zinc/67/43/29/1200674329.db2.gz RENLIOMOXRFOKL-IAGOWNOFSA-N 0 3 304.478 3.195 20 30 DGEDHN CCCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C)C#N ZINC001755172757 1200678571 /nfs/dbraw/zinc/67/85/71/1200678571.db2.gz XMTPXWCDBNIHCF-MAUKXSAKSA-N 0 3 313.445 3.052 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(OC)cc1 ZINC001755189029 1200686072 /nfs/dbraw/zinc/68/60/72/1200686072.db2.gz LOURNWHINITQDC-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC001755191074 1200689209 /nfs/dbraw/zinc/68/92/09/1200689209.db2.gz FCWHISDRPVMDRH-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC001755191075 1200689836 /nfs/dbraw/zinc/68/98/36/1200689836.db2.gz FCWHISDRPVMDRH-SFHVURJKSA-N 0 3 316.420 3.052 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001755219952 1200709593 /nfs/dbraw/zinc/70/95/93/1200709593.db2.gz KAGVQEUNXXGCQN-UHFFFAOYSA-N 0 3 323.868 3.064 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)C2(CC)CC2)cc1 ZINC001690797253 1200718618 /nfs/dbraw/zinc/71/86/18/1200718618.db2.gz YTZMUXUDVSCCCN-UHFFFAOYSA-N 0 3 320.864 3.378 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001690821066 1200734735 /nfs/dbraw/zinc/73/47/35/1200734735.db2.gz QUTZEQVEJBHIFD-ZVDOUQERSA-N 0 3 324.468 3.126 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001755250157 1200734852 /nfs/dbraw/zinc/73/48/52/1200734852.db2.gz VHPWXXIWNRPDAS-SHJQCXLZSA-N 0 3 310.441 3.043 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2scnc21 ZINC001690843024 1200745145 /nfs/dbraw/zinc/74/51/45/1200745145.db2.gz KKSFZZJGLKXDRU-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(CC)s1 ZINC001691787163 1200808472 /nfs/dbraw/zinc/80/84/72/1200808472.db2.gz GSDXFQWRSAFOFT-AWEZNQCLSA-N 0 3 306.475 3.423 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC(C)(C)C(F)(F)F ZINC001691799013 1200811733 /nfs/dbraw/zinc/81/17/33/1200811733.db2.gz YMZKWBUSPVPDKB-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001755368556 1200856059 /nfs/dbraw/zinc/85/60/59/1200856059.db2.gz QHBUCJZPHLZWRL-SJLPKXTDSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001755369176 1200858541 /nfs/dbraw/zinc/85/85/41/1200858541.db2.gz VYEGWBVSKGWVKG-GDBMZVCRSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001755399912 1200876161 /nfs/dbraw/zinc/87/61/61/1200876161.db2.gz USAKXEWPGKZJRI-MJGOQNOKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC001755411619 1200885553 /nfs/dbraw/zinc/88/55/53/1200885553.db2.gz MPMZPWPWJHSEEM-RHSMWYFYSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)/C(C)=C/CC)C2)CC1 ZINC001691957236 1200886285 /nfs/dbraw/zinc/88/62/85/1200886285.db2.gz BKWJLMYIIZWVFT-BDBSJLECSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)CCC)C2)CC1 ZINC001691960281 1200889880 /nfs/dbraw/zinc/88/98/80/1200889880.db2.gz OIEIWPUVRSAFQK-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755415224 1200891986 /nfs/dbraw/zinc/89/19/86/1200891986.db2.gz GJQPPYVGLJCTFG-RHSMWYFYSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001755478034 1200912332 /nfs/dbraw/zinc/91/23/32/1200912332.db2.gz OEZPFKVTALYVGM-OBJOEFQTSA-N 0 3 312.866 3.089 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(CCOCC)CCCC2)[C@H]1CC ZINC001692018295 1200913223 /nfs/dbraw/zinc/91/32/23/1200913223.db2.gz KQUGPKWVLUVMFZ-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001755483834 1200915829 /nfs/dbraw/zinc/91/58/29/1200915829.db2.gz XYBVWCWGWYWFCL-QENJDRBJSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1occ2c1CCC2 ZINC001755509641 1200926332 /nfs/dbraw/zinc/92/63/32/1200926332.db2.gz QSQKTKAIVPCDBL-GFCCVEGCSA-N 0 3 310.825 3.009 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1(C(C)(F)F)CC1 ZINC001755514885 1200929845 /nfs/dbraw/zinc/92/98/45/1200929845.db2.gz AZPZBNCYZWAZAF-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(N(C)Cc2ccccn2)CC1 ZINC001755532549 1200938804 /nfs/dbraw/zinc/93/88/04/1200938804.db2.gz RGNAAYMHXBXETR-MRXNPFEDSA-N 0 3 315.461 3.107 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(C/C=C\c2ccccc2)[C@@H]1CC ZINC001692178705 1200959152 /nfs/dbraw/zinc/95/91/52/1200959152.db2.gz 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C=C(C)CN(C)CCN(C(=O)C[C@H](C)c1ccncc1)C(C)C ZINC001755811992 1201074306 /nfs/dbraw/zinc/07/43/06/1201074306.db2.gz IASZPGMJXVOJIF-KRWDZBQOSA-N 0 3 317.477 3.320 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(C)C ZINC001755814245 1201079296 /nfs/dbraw/zinc/07/92/96/1201079296.db2.gz URLZIZBALIIBDK-ROUUACIJSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cncc2ccccc21)C(C)C ZINC001755815440 1201082323 /nfs/dbraw/zinc/08/23/23/1201082323.db2.gz LDSZZWRPHRZQDO-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(OC)cc1)C(C)C ZINC001755817739 1201083876 /nfs/dbraw/zinc/08/38/76/1201083876.db2.gz XDKTYFPFHILARV-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001755820466 1201087351 /nfs/dbraw/zinc/08/73/51/1201087351.db2.gz QGYAJRAOXNXNHV-YWXGMFSMSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001755858997 1201109567 /nfs/dbraw/zinc/10/95/67/1201109567.db2.gz AEAUSKJYUSWKIC-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3CCC[C@@H]3C)CC2)CC1 ZINC001755868693 1201114911 /nfs/dbraw/zinc/11/49/11/1201114911.db2.gz CYLJPRMTTVXTFJ-IRXDYDNUSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC001755902071 1201126927 /nfs/dbraw/zinc/12/69/27/1201126927.db2.gz NFFFDIOKVLPCMH-IRXDYDNUSA-N 0 3 316.420 3.154 20 30 DGEDHN CC[C@@H](CNC(=O)CC1CCCC1)NCc1ccc(C#N)s1 ZINC001698592299 1201266271 /nfs/dbraw/zinc/26/62/71/1201266271.db2.gz YITMQWODMQRSPA-AWEZNQCLSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2cc(C)ccc2F)C1 ZINC001698614058 1201284963 /nfs/dbraw/zinc/28/49/63/1201284963.db2.gz VOQIQZDDEDDTNQ-INIZCTEOSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001698647360 1201309781 /nfs/dbraw/zinc/30/97/81/1201309781.db2.gz OIEKSLZVTDTZLQ-ZBFHGGJFSA-N 0 3 310.869 3.194 20 30 DGEDHN C#CCCCCC(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001698722266 1201361913 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ZINC001698985955 1201649962 /nfs/dbraw/zinc/64/99/62/1201649962.db2.gz YDNILNFXOFGBRN-UHFFFAOYSA-N 0 3 314.473 3.306 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)c(F)cc1F ZINC001699143849 1201727489 /nfs/dbraw/zinc/72/74/89/1201727489.db2.gz MWEWMDMKOSVVFH-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccccc1 ZINC001750934432 1201729596 /nfs/dbraw/zinc/72/95/96/1201729596.db2.gz RGQFCTPONDKKPQ-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN CCCCC1(C(=O)N[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001699378054 1201824145 /nfs/dbraw/zinc/82/41/45/1201824145.db2.gz BZNDSJKICCPELZ-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2cc(F)cc(F)c2)CC1 ZINC001699378736 1201824426 /nfs/dbraw/zinc/82/44/26/1201824426.db2.gz PYBOBTVXDYMBPC-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN CC(C)CC(C)(C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001699384440 1201828005 /nfs/dbraw/zinc/82/80/05/1201828005.db2.gz AVUWGKZVFOJJPX-QGZVFWFLSA-N 0 3 314.473 3.205 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001752435091 1201837179 /nfs/dbraw/zinc/83/71/79/1201837179.db2.gz MPDQLHXOANFXSI-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN[C@@H](C)c1cccc(Cl)c1F ZINC001699400591 1201839285 /nfs/dbraw/zinc/83/92/85/1201839285.db2.gz RPGMYBDQVBWFCD-STQMWFEESA-N 0 3 324.827 3.294 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OCC)C(C)C ZINC001752535016 1201872007 /nfs/dbraw/zinc/87/20/07/1201872007.db2.gz VQMBVVVDIFRNDE-ZJPYXAASSA-N 0 3 322.493 3.077 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001752625825 1201880712 /nfs/dbraw/zinc/88/07/12/1201880712.db2.gz GJFFAKPLAOPJHI-BZUAXINKSA-N 0 3 316.420 3.317 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc2cc[nH]c2c1 ZINC001699443148 1201882331 /nfs/dbraw/zinc/88/23/31/1201882331.db2.gz CEPPSKQSXWTWRH-OAHLLOKOSA-N 0 3 313.445 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)C[C@H](OC)c1ccccc1 ZINC001699453163 1201892942 /nfs/dbraw/zinc/89/29/42/1201892942.db2.gz DEXWNHMBPKSXIY-WBVHZDCISA-N 0 3 318.461 3.023 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1cc(C)ccc1C ZINC001699531824 1201938030 /nfs/dbraw/zinc/93/80/30/1201938030.db2.gz ISVGIWXCEMXPOO-UHFFFAOYSA-N 0 3 308.853 3.037 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc(C(C)C)n1 ZINC001699540111 1201942263 /nfs/dbraw/zinc/94/22/63/1201942263.db2.gz NVIMOXKVNMJBJK-UHFFFAOYSA-N 0 3 309.841 3.009 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001752822283 1201946962 /nfs/dbraw/zinc/94/69/62/1201946962.db2.gz DGNZZBHWFLSGNA-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](CC=C)c1ccccc1 ZINC001752824955 1201952614 /nfs/dbraw/zinc/95/26/14/1201952614.db2.gz IIMXXDATBWAGPC-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1scnc1C)C1CC1 ZINC001699586202 1201959863 /nfs/dbraw/zinc/95/98/63/1201959863.db2.gz OUMZSPMNVWCGMQ-AWEZNQCLSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001699623891 1201987612 /nfs/dbraw/zinc/98/76/12/1201987612.db2.gz MSZQHUQCUPNBRU-GJZGRUSLSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cc2ccccc2o1 ZINC001699626767 1201989793 /nfs/dbraw/zinc/98/97/93/1201989793.db2.gz NUKFHUFVFLJYDT-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001699628143 1201990323 /nfs/dbraw/zinc/99/03/23/1201990323.db2.gz NJHBFQGULJLYBC-MRXNPFEDSA-N 0 3 316.445 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1ccccc1OC(C)C ZINC001752891826 1201996512 /nfs/dbraw/zinc/99/65/12/1201996512.db2.gz RBRVGLCEHZNAHU-OAHLLOKOSA-N 0 3 318.461 3.280 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001699637433 1202003314 /nfs/dbraw/zinc/00/33/14/1202003314.db2.gz GCTLFSOQIYACRO-ZFWWWQNUSA-N 0 3 319.449 3.094 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001699693415 1202036330 /nfs/dbraw/zinc/03/63/30/1202036330.db2.gz PFCISZKNBXMWEC-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001699693414 1202036932 /nfs/dbraw/zinc/03/69/32/1202036932.db2.gz PFCISZKNBXMWEC-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](C)NCc1cc(F)ccc1Cl ZINC001753005198 1202054160 /nfs/dbraw/zinc/05/41/60/1202054160.db2.gz GGGUYZWUEKEWFW-CYBMUJFWSA-N 0 3 324.827 3.123 20 30 DGEDHN CCCC(C)(C)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001753012960 1202058485 /nfs/dbraw/zinc/05/84/85/1202058485.db2.gz SLWWPMVQBNGINS-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(C)CCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001699770566 1202073589 /nfs/dbraw/zinc/07/35/89/1202073589.db2.gz KSAUTIBQXXIDRU-UHFFFAOYSA-N 0 3 306.372 3.266 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001699774002 1202075794 /nfs/dbraw/zinc/07/57/94/1202075794.db2.gz KCQOZFYMIJRCAG-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCNC[C@H](NC(=O)CC1CCC1)c1ccc2ccccc2c1 ZINC001699788471 1202079351 /nfs/dbraw/zinc/07/93/51/1202079351.db2.gz DPRDAIPLSYUQBH-FQEVSTJZSA-N 0 3 320.436 3.410 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001699800443 1202083923 /nfs/dbraw/zinc/08/39/23/1202083923.db2.gz IDMBCNHNKAYOAD-MSOLQXFVSA-N 0 3 313.445 3.003 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)CCC)C2 ZINC001699805260 1202086867 /nfs/dbraw/zinc/08/68/67/1202086867.db2.gz PGELWUBELZAQAG-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)CCC)C2 ZINC001699805263 1202087231 /nfs/dbraw/zinc/08/72/31/1202087231.db2.gz PGELWUBELZAQAG-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001753066012 1202095973 /nfs/dbraw/zinc/09/59/73/1202095973.db2.gz LJSIBXAHAAFYPO-JKSUJKDBSA-N 0 3 306.837 3.068 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccccc2CC)C1 ZINC001699868972 1202123845 /nfs/dbraw/zinc/12/38/45/1202123845.db2.gz QAFWTUKKNSEDAO-FQEVSTJZSA-N 0 3 314.473 3.196 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001699875343 1202129270 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C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001753114120 1202143933 /nfs/dbraw/zinc/14/39/33/1202143933.db2.gz CDQUTZZCVSXSKL-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1c(C)oc2ccccc21 ZINC001753120084 1202149368 /nfs/dbraw/zinc/14/93/68/1202149368.db2.gz SWAYZWFIZYMVBQ-OAHLLOKOSA-N 0 3 312.413 3.050 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001700069003 1202172423 /nfs/dbraw/zinc/17/24/23/1202172423.db2.gz SUPFSMFLPCTNKV-AWEZNQCLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001700085454 1202175428 /nfs/dbraw/zinc/17/54/28/1202175428.db2.gz JRICHWKUQRROID-LSDHHAIUSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001700085451 1202175578 /nfs/dbraw/zinc/17/55/78/1202175578.db2.gz JRICHWKUQRROID-CABCVRRESA-N 0 3 310.869 3.147 20 30 DGEDHN CCC(=O)NCc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC001700091040 1202177221 /nfs/dbraw/zinc/17/72/21/1202177221.db2.gz JTFKLADNGHDQMY-OAHLLOKOSA-N 0 3 321.424 3.435 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(C)(C)C(=C)C ZINC001700090580 1202177284 /nfs/dbraw/zinc/17/72/84/1202177284.db2.gz KXPLJZCQCSJZTN-UHFFFAOYSA-N 0 3 312.457 3.360 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1occc1Cl ZINC001700091845 1202177855 /nfs/dbraw/zinc/17/78/55/1202177855.db2.gz QTOMKBKUJQHCJF-UHFFFAOYSA-N 0 3 318.804 3.481 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCNCc1ccc(F)c(Cl)c1 ZINC001753193384 1202182182 /nfs/dbraw/zinc/18/21/82/1202182182.db2.gz SXQZVRQJWZKTSJ-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C#CCCCCCC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001700106342 1202182521 /nfs/dbraw/zinc/18/25/21/1202182521.db2.gz MVKKLCCTRDRHBE-XFFZJAGNSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001753193733 1202182968 /nfs/dbraw/zinc/18/29/68/1202182968.db2.gz CAPGOUJIWMRABO-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)n1cccc1)c1ccccc1 ZINC001753297876 1202199187 /nfs/dbraw/zinc/19/91/87/1202199187.db2.gz UMMBNDJQLVBACA-WMZOPIPTSA-N 0 3 311.429 3.072 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccccc1CC)c1ccccc1 ZINC001753299526 1202200539 /nfs/dbraw/zinc/20/05/39/1202200539.db2.gz DCWOUTKPUKIRCI-HXUWFJFHSA-N 0 3 322.452 3.425 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)COc1ccccc1)c1ccccc1 ZINC001753302536 1202200706 /nfs/dbraw/zinc/20/07/06/1202200706.db2.gz DSJJBKBPSSWIPI-IBGZPJMESA-N 0 3 324.424 3.089 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001700189690 1202204261 /nfs/dbraw/zinc/20/42/61/1202204261.db2.gz BWZJQUKGGTTZEY-UHFFFAOYSA-N 0 3 314.429 3.062 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001753317473 1202206682 /nfs/dbraw/zinc/20/66/82/1202206682.db2.gz OQUHQXKBGDRTCW-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)CCC ZINC001700223097 1202213864 /nfs/dbraw/zinc/21/38/64/1202213864.db2.gz CQHWCGWZFRMEGV-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001700226158 1202215211 /nfs/dbraw/zinc/21/52/11/1202215211.db2.gz IIJGEMMRCPPRFE-INDRUJQFSA-N 0 3 310.869 3.410 20 30 DGEDHN CCCCCC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001700258546 1202219172 /nfs/dbraw/zinc/21/91/72/1202219172.db2.gz RBSXUZBTYWTLQQ-PKOBYXMFSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](CC)CC(F)F)C(C)(C)C1 ZINC001700292193 1202228240 /nfs/dbraw/zinc/22/82/40/1202228240.db2.gz OHIZEOUWSUPSCZ-QWHCGFSZSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](CC)CC(F)F)C(C)(C)C1 ZINC001700292190 1202228454 /nfs/dbraw/zinc/22/84/54/1202228454.db2.gz OHIZEOUWSUPSCZ-CHWSQXEVSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)(C)C1 ZINC001753420248 1202248373 /nfs/dbraw/zinc/24/83/73/1202248373.db2.gz PZBNANJFWOKCRK-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN CC/C=C/CCN1C[C@@H]2C[C@H]1CN2C(=O)CC#Cc1ccccc1 ZINC001753428082 1202250542 /nfs/dbraw/zinc/25/05/42/1202250542.db2.gz VRYYLFHNOXYTQL-LOKQZNEXSA-N 0 3 322.452 3.070 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2ncsc2c1 ZINC001700364504 1202251718 /nfs/dbraw/zinc/25/17/18/1202251718.db2.gz LPZXZHCJEZFEBL-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)c1ccc(C)cc1 ZINC001700365026 1202252153 /nfs/dbraw/zinc/25/21/53/1202252153.db2.gz TUVHKEVYBINALX-SFHVURJKSA-N 0 3 314.473 3.381 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1)CC ZINC001700389475 1202259163 /nfs/dbraw/zinc/25/91/63/1202259163.db2.gz ARGLHGKCVAKMRY-DLBZAZTESA-N 0 3 312.457 3.267 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)C ZINC001700397697 1202261755 /nfs/dbraw/zinc/26/17/55/1202261755.db2.gz RERDDMRIHHFZSL-LSDHHAIUSA-N 0 3 320.864 3.291 20 30 DGEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCCC1CC1 ZINC001700413120 1202266324 /nfs/dbraw/zinc/26/63/24/1202266324.db2.gz JIGOODUKFRZOKK-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001700414014 1202266789 /nfs/dbraw/zinc/26/67/89/1202266789.db2.gz OVBNJWSTOVQGKU-CVEARBPZSA-N 0 3 316.420 3.016 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2cc(C)ns2)CCC1 ZINC001700419011 1202267596 /nfs/dbraw/zinc/26/75/96/1202267596.db2.gz MJJDBIWHLDZHOX-UONOGXRCSA-N 0 3 321.490 3.181 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1sccc1Cl ZINC001753473598 1202268365 /nfs/dbraw/zinc/26/83/65/1202268365.db2.gz UHDARBYMZGONFT-GFCCVEGCSA-N 0 3 312.866 3.189 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001700445088 1202274388 /nfs/dbraw/zinc/27/43/88/1202274388.db2.gz IBCASWTWLVGKGB-ZIAGYGMSSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCc2ccccc2)CCCC1 ZINC001753510411 1202279161 /nfs/dbraw/zinc/27/91/61/1202279161.db2.gz TXSMQLGMPRVLRJ-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001700458758 1202280270 /nfs/dbraw/zinc/28/02/70/1202280270.db2.gz ZMKIOYPQWYKLKQ-UHFFFAOYSA-N 0 3 304.434 3.046 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001700471764 1202286001 /nfs/dbraw/zinc/28/60/01/1202286001.db2.gz VTJHZJCFOPMRLQ-AWEZNQCLSA-N 0 3 313.445 3.317 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001700477825 1202289387 /nfs/dbraw/zinc/28/93/87/1202289387.db2.gz NIDXOXBSAIRJFA-GJZGRUSLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC001753584727 1202292825 /nfs/dbraw/zinc/29/28/25/1202292825.db2.gz GXMZVTJNRSTZMR-WKILWMFISA-N 0 3 319.449 3.102 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)CN[C@H](C)c1c(F)cccc1F ZINC001753612692 1202299598 /nfs/dbraw/zinc/29/95/98/1202299598.db2.gz JGINPLRUNUIQPG-ZIAGYGMSSA-N 0 3 322.399 3.027 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)CNCc1nc2ccccc2o1 ZINC001753616876 1202300509 /nfs/dbraw/zinc/30/05/09/1202300509.db2.gz KSLOMICMIFNWKE-AWEZNQCLSA-N 0 3 315.417 3.026 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCCCN1C[C@H](F)CC ZINC001700525383 1202304823 /nfs/dbraw/zinc/30/48/23/1202304823.db2.gz CWDIXBHJZUZGHM-IAGOWNOFSA-N 0 3 310.457 3.289 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001700526699 1202305660 /nfs/dbraw/zinc/30/56/60/1202305660.db2.gz MSHAFKDHUBIAQL-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001753688726 1202314043 /nfs/dbraw/zinc/31/40/43/1202314043.db2.gz CMRFGZFCICWZBN-UONOGXRCSA-N 0 3 322.399 3.122 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001753693536 1202315453 /nfs/dbraw/zinc/31/54/53/1202315453.db2.gz PEZJWWLYGKEZHG-CYBMUJFWSA-N 0 3 319.474 3.159 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc(C)no2)C(C)(C)C1 ZINC001700568293 1202315611 /nfs/dbraw/zinc/31/56/11/1202315611.db2.gz WTUIFTUIUNBAGB-MRXNPFEDSA-N 0 3 319.449 3.170 20 30 DGEDHN CCC(=O)N[C@@H](CNCC#Cc1cccc(Cl)c1)CC(C)C ZINC001753730647 1202323198 /nfs/dbraw/zinc/32/31/98/1202323198.db2.gz BWULDAVNSIUNHE-QGZVFWFLSA-N 0 3 320.864 3.222 20 30 DGEDHN CC(C)C[C@@H](CNCc1ccccc1Cl)NC(=O)[C@@H](C)C#N ZINC001753732499 1202324001 /nfs/dbraw/zinc/32/40/01/1202324001.db2.gz ICHGKFWVMYYYJI-ZFWWWQNUSA-N 0 3 321.852 3.120 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCC[C@@H](C)CC)C[C@]2(C)C1 ZINC001700622585 1202324751 /nfs/dbraw/zinc/32/47/51/1202324751.db2.gz LUXTZRIVMSTUDK-YSIASYRMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2F)C1 ZINC001700632385 1202325633 /nfs/dbraw/zinc/32/56/33/1202325633.db2.gz SODTWCKBZVIZMG-HDJSIYSDSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cc(C)ns1 ZINC001753804587 1202336307 /nfs/dbraw/zinc/33/63/07/1202336307.db2.gz IFRBEQBCFIIQPF-CJNGLKHVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1OC ZINC001700750177 1202348306 /nfs/dbraw/zinc/34/83/06/1202348306.db2.gz GSCFZZIMBLBFNB-MRXNPFEDSA-N 0 3 318.461 3.296 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001700775210 1202353108 /nfs/dbraw/zinc/35/31/08/1202353108.db2.gz CIXAAXMZTMRTDH-CYBMUJFWSA-N 0 3 316.426 3.082 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700857779 1202360147 /nfs/dbraw/zinc/36/01/47/1202360147.db2.gz GTFXWSBFPYCPFH-AZUAARDMSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC001700862887 1202361001 /nfs/dbraw/zinc/36/10/01/1202361001.db2.gz KDVIEDHBWLXYQF-SLYNCCJLSA-N 0 3 324.468 3.317 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC001700862888 1202361073 /nfs/dbraw/zinc/36/10/73/1202361073.db2.gz KDVIEDHBWLXYQF-YFVAEKQCSA-N 0 3 324.468 3.317 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC[C@H](C)c3ccccc3)CCC[C@H]12 ZINC001700862886 1202361271 /nfs/dbraw/zinc/36/12/71/1202361271.db2.gz KDVIEDHBWLXYQF-HFSMHLIXSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001700881432 1202364417 /nfs/dbraw/zinc/36/44/17/1202364417.db2.gz VXWZMCLZXRGDRI-AEFFLSMTSA-N 0 3 300.446 3.430 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2c(C)nsc2C)C(C)(C)C1 ZINC001700910883 1202369237 /nfs/dbraw/zinc/36/92/37/1202369237.db2.gz FVKZFCFETRINJW-OAHLLOKOSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1 ZINC001700942128 1202371537 /nfs/dbraw/zinc/37/15/37/1202371537.db2.gz KCCVPVYJGAZKDE-DOTOQJQBSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001700946282 1202372165 /nfs/dbraw/zinc/37/21/65/1202372165.db2.gz YSNNZWSHBLSWRW-HZPDHXFCSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2c1ccn2C)C(C)C ZINC001700974978 1202374285 /nfs/dbraw/zinc/37/42/85/1202374285.db2.gz HVUINEUMVWINNG-UHFFFAOYSA-N 0 3 313.445 3.147 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCC)CC[C@@H]1C(F)(F)F ZINC001701013328 1202381456 /nfs/dbraw/zinc/38/14/56/1202381456.db2.gz YAYBRBSMYDUHLS-QWHCGFSZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001707051061 1202569350 /nfs/dbraw/zinc/56/93/50/1202569350.db2.gz GANACVUKZKOBEI-HOCLYGCPSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001707054830 1202569985 /nfs/dbraw/zinc/56/99/85/1202569985.db2.gz LXGXKPLGWNHWKL-QZTJIDSGSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001707063856 1202571190 /nfs/dbraw/zinc/57/11/90/1202571190.db2.gz RSJYBRTVDIQMHV-ZWKOTPCHSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001707066541 1202571334 /nfs/dbraw/zinc/57/13/34/1202571334.db2.gz VJQFEGGNDYNMHH-WOVMCDHWSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccc(C)cc2)[C@H]1CC ZINC001707202087 1202576387 /nfs/dbraw/zinc/57/63/87/1202576387.db2.gz WBTSDZUYNZOOEB-RBUKOAKNSA-N 0 3 314.473 3.473 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC001707261504 1202578993 /nfs/dbraw/zinc/57/89/93/1202578993.db2.gz MPVGWPVSVHMCLV-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)[C@H]1C ZINC001707267971 1202579530 /nfs/dbraw/zinc/57/95/30/1202579530.db2.gz HGCUUWMHVYDATA-CPUCHLNUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001707272146 1202579665 /nfs/dbraw/zinc/57/96/65/1202579665.db2.gz WQYHYBSJTVOLFS-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCCCC(=O)NCCCN(C)Cc1ccc(F)c(F)c1 ZINC001707398845 1202582652 /nfs/dbraw/zinc/58/26/52/1202582652.db2.gz VCYPSOYPSTVJLT-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN CC/C(C)=C/C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001707451272 1202585875 /nfs/dbraw/zinc/58/58/75/1202585875.db2.gz FDCXWKYJQDJCTN-ISLYRVAYSA-N 0 3 312.457 3.223 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1occc1-c1ccccc1 ZINC001712959130 1202606528 /nfs/dbraw/zinc/60/65/28/1202606528.db2.gz VSERYDUSHLFPLA-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cnc(C)s1 ZINC001712994778 1202608661 /nfs/dbraw/zinc/60/86/61/1202608661.db2.gz TWRQBAHSECEBIS-CJNGLKHVSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001712998234 1202609035 /nfs/dbraw/zinc/60/90/35/1202609035.db2.gz CUVFZZXBOXUYPK-CJNGLKHVSA-N 0 3 323.868 3.059 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001713000616 1202609376 /nfs/dbraw/zinc/60/93/76/1202609376.db2.gz UGPROQHBJMCHBI-RBZJEDDUSA-N 0 3 310.869 3.144 20 30 DGEDHN CCN(CC#Cc1ccc(Cl)cc1)CCCNC(=O)C(C)C ZINC001713006497 1202609758 /nfs/dbraw/zinc/60/97/58/1202609758.db2.gz GTSCSGCNNPCEOR-UHFFFAOYSA-N 0 3 320.864 3.176 20 30 DGEDHN CC#CCN(CCCNC(=O)C1(C)CCCCCC1)C1CC1 ZINC001713039313 1202611818 /nfs/dbraw/zinc/61/18/18/1202611818.db2.gz SAPKUCBWFLZJIQ-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCOCCN1CCC(N(C)C(=O)CC2=CCCCC2)CC1 ZINC001713051366 1202612876 /nfs/dbraw/zinc/61/28/76/1202612876.db2.gz HGBSVPMXFBPEII-UHFFFAOYSA-N 0 3 320.477 3.002 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC001713096886 1202616625 /nfs/dbraw/zinc/61/66/25/1202616625.db2.gz ILEGCBYBGCEWSJ-MOPGFXCFSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCCCc2ccccc2)CC1 ZINC001713096235 1202616703 /nfs/dbraw/zinc/61/67/03/1202616703.db2.gz YROMFCQCEOXTAP-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001713140454 1202621486 /nfs/dbraw/zinc/62/14/86/1202621486.db2.gz AYMPMSVLPDAXDW-MTHXSQLBSA-N 0 3 314.473 3.230 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]ccc21 ZINC001713143297 1202621649 /nfs/dbraw/zinc/62/16/49/1202621649.db2.gz ZDAONDPAWKADSV-IYBDPMFKSA-N 0 3 323.440 3.423 20 30 DGEDHN CC[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713168069 1202623604 /nfs/dbraw/zinc/62/36/04/1202623604.db2.gz VHDKNBWJSBRINN-UAFMIMERSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001713214986 1202628005 /nfs/dbraw/zinc/62/80/05/1202628005.db2.gz AUZJYYCCJWCVTM-OAHLLOKOSA-N 0 3 306.475 3.433 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001713289074 1202636210 /nfs/dbraw/zinc/63/62/10/1202636210.db2.gz OJQXWUVTOHBHHQ-NFOMZHRRSA-N 0 3 321.490 3.262 20 30 DGEDHN CCCC(=O)N[C@@H]1CCC[C@H](NCc2cc(F)ccc2C#N)C1 ZINC001713366733 1202642132 /nfs/dbraw/zinc/64/21/32/1202642132.db2.gz GGJSATMFONGBDZ-DLBZAZTESA-N 0 3 317.408 3.014 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H](C)CC)cc1 ZINC001713383892 1202643520 /nfs/dbraw/zinc/64/35/20/1202643520.db2.gz LICHCIGCNZYIMH-ZDUSSCGKSA-N 0 3 308.853 3.234 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001713397915 1202645173 /nfs/dbraw/zinc/64/51/73/1202645173.db2.gz SAOCSYPRONJAED-MJGOQNOKSA-N 0 3 312.457 3.045 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001713400441 1202645667 /nfs/dbraw/zinc/64/56/67/1202645667.db2.gz ICOJPHGZDPJZKV-HNNXBMFYSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(F)cc(C)cc1F ZINC001713412175 1202647135 /nfs/dbraw/zinc/64/71/35/1202647135.db2.gz FHHJFJFPSHQIKT-NSHDSACASA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001713412849 1202647153 /nfs/dbraw/zinc/64/71/53/1202647153.db2.gz YPYJWAOVEJZSRH-PBHICJAKSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc(C3CC3)cc2)C1 ZINC001713465978 1202654018 /nfs/dbraw/zinc/65/40/18/1202654018.db2.gz LAKIPRCHIMYTJY-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001713470733 1202654728 /nfs/dbraw/zinc/65/47/28/1202654728.db2.gz LJMKCEKGFRCYBO-RBUKOAKNSA-N 0 3 308.425 3.177 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001713476280 1202656023 /nfs/dbraw/zinc/65/60/23/1202656023.db2.gz YVGDTXDPNIUIQO-CYBMUJFWSA-N 0 3 306.475 3.111 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc(CC)cc1 ZINC001713500416 1202661104 /nfs/dbraw/zinc/66/11/04/1202661104.db2.gz KVSTXUYISQOEJP-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001713511069 1202662800 /nfs/dbraw/zinc/66/28/00/1202662800.db2.gz MMPBFRIDIDDFGY-INIZCTEOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC001713515784 1202663633 /nfs/dbraw/zinc/66/36/33/1202663633.db2.gz APLAEILVDFMLNC-YLJYHZDGSA-N 0 3 312.457 3.047 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001713517778 1202664062 /nfs/dbraw/zinc/66/40/62/1202664062.db2.gz QIXWSDOAYAKDOL-OLZOCXBDSA-N 0 3 324.877 3.109 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001713520223 1202664432 /nfs/dbraw/zinc/66/44/32/1202664432.db2.gz QDKMQNSDJDYLLW-AEFFLSMTSA-N 0 3 300.446 3.022 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2cc(F)ccc2o1 ZINC001713550122 1202668696 /nfs/dbraw/zinc/66/86/96/1202668696.db2.gz PXIBHMXLRGJTQC-UHFFFAOYSA-N 0 3 316.376 3.037 20 30 DGEDHN C[C@@H](NCCN(C)C(=O)C#CC(C)(C)C)c1ccc(F)c(F)c1 ZINC001713589435 1202672781 /nfs/dbraw/zinc/67/27/81/1202672781.db2.gz YNFNNVJLFMMYTJ-CYBMUJFWSA-N 0 3 322.399 3.123 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2sc(C)nc2C)CC1 ZINC001713631056 1202674266 /nfs/dbraw/zinc/67/42/66/1202674266.db2.gz PRLLHZZVEHNBCM-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(F)s1)c1ccccc1 ZINC001713703528 1202678995 /nfs/dbraw/zinc/67/89/95/1202678995.db2.gz FVBZEBJTUSZHLY-ZDUSSCGKSA-N 0 3 304.390 3.134 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCC2CCCC2)C1 ZINC001713713258 1202679535 /nfs/dbraw/zinc/67/95/35/1202679535.db2.gz DEMPDZGDJJARAU-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001713715843 1202680609 /nfs/dbraw/zinc/68/06/09/1202680609.db2.gz FFNCEZZQEQHZDA-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2cccc(C)c2)C1 ZINC001713719474 1202680851 /nfs/dbraw/zinc/68/08/51/1202680851.db2.gz BAQCCSYUMCZBDY-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001713718089 1202681065 /nfs/dbraw/zinc/68/10/65/1202681065.db2.gz YNEQQUIHNADBPB-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CN(C)Cc2cc(C)ccc2F)C1 ZINC001713747139 1202685788 /nfs/dbraw/zinc/68/57/88/1202685788.db2.gz QMTNODRGOZOCRS-MRXNPFEDSA-N 0 3 318.436 3.381 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001713798796 1202692046 /nfs/dbraw/zinc/69/20/46/1202692046.db2.gz JMGRCYOSNOKVAE-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2csnc2C)CC1 ZINC001713853993 1202695867 /nfs/dbraw/zinc/69/58/67/1202695867.db2.gz UYTVVEWCBOGRIK-UHFFFAOYSA-N 0 3 321.490 3.344 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001713857381 1202696355 /nfs/dbraw/zinc/69/63/55/1202696355.db2.gz SVSXKBNSAMLWFM-QGZVFWFLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccs1 ZINC001713910506 1202701378 /nfs/dbraw/zinc/70/13/78/1202701378.db2.gz GMFKGEVBKCPUTO-OAGGEKHMSA-N 0 3 318.486 3.493 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(F)(F)F ZINC001713909214 1202701530 /nfs/dbraw/zinc/70/15/30/1202701530.db2.gz BUMJYRCYDSSSFC-XDQVBPFNSA-N 0 3 318.383 3.215 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001713911740 1202701630 /nfs/dbraw/zinc/70/16/30/1202701630.db2.gz JQKJXXICMYFIMN-YESZJQIVSA-N 0 3 316.445 3.333 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccco1 ZINC001713927827 1202703048 /nfs/dbraw/zinc/70/30/48/1202703048.db2.gz MMYIYDCNTSDVBY-IRXDYDNUSA-N 0 3 318.461 3.468 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)c1cc(C)ccc1C ZINC001713932119 1202703153 /nfs/dbraw/zinc/70/31/53/1202703153.db2.gz WZMJIWHYUPTKAX-FHWLQOOXSA-N 0 3 324.468 3.453 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001713975033 1202711320 /nfs/dbraw/zinc/71/13/20/1202711320.db2.gz IKKCQCPLKUIPAM-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCc2ccc(C)s2)C1 ZINC001714029159 1202738634 /nfs/dbraw/zinc/73/86/34/1202738634.db2.gz JHCPWLRUYZUBKN-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](C)CCCCCC)C1 ZINC001714044504 1202747656 /nfs/dbraw/zinc/74/76/56/1202747656.db2.gz RDRZKOYXQQSQBE-ZWKOTPCHSA-N 0 3 306.494 3.444 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001714062486 1202758238 /nfs/dbraw/zinc/75/82/38/1202758238.db2.gz TVUDBHKSJCDDFK-YLRAASNFSA-N 0 3 316.420 3.018 20 30 DGEDHN Cc1ccc(CN2CCCC[C@H]2CNC(=O)C#CC2CC2)c(C)c1 ZINC001714105199 1202778372 /nfs/dbraw/zinc/77/83/72/1202778372.db2.gz YYZNXWXPBZZZDC-FQEVSTJZSA-N 0 3 324.468 3.188 20 30 DGEDHN CC1CC(C(=O)N2CCCC[C@H]2CNCC#Cc2ccccc2)C1 ZINC001714124081 1202790789 /nfs/dbraw/zinc/79/07/89/1202790789.db2.gz KRXNJZVQHMFGOF-UUKMXZOPSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)nc(C)c2)CCCC1 ZINC001714133966 1202794844 /nfs/dbraw/zinc/79/48/44/1202794844.db2.gz LOTDHZHWJTZSBV-UHFFFAOYSA-N 0 3 321.852 3.083 20 30 DGEDHN C=C[C@H](CC(=O)NC1(CNCCF)CCCC1)c1ccccc1 ZINC001714151914 1202805292 /nfs/dbraw/zinc/80/52/92/1202805292.db2.gz QFLABYCGTSZTSA-MRXNPFEDSA-N 0 3 318.436 3.334 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001714156422 1202809721 /nfs/dbraw/zinc/80/97/21/1202809721.db2.gz LFLNNBMRUMJNJG-MRXNPFEDSA-N 0 3 310.800 3.066 20 30 DGEDHN C=C(C)CCC(=O)N[C@](C)(CNCc1oc(C)nc1C)C1CC1 ZINC001714165788 1202812084 /nfs/dbraw/zinc/81/20/84/1202812084.db2.gz XJYMZGSKALZQGO-GOSISDBHSA-N 0 3 319.449 3.022 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](F)c1ccccc1)C1CC1 ZINC001714172759 1202814954 /nfs/dbraw/zinc/81/49/54/1202814954.db2.gz BXNSYNOBHCIGCA-WBVHZDCISA-N 0 3 324.827 3.324 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001714175049 1202816224 /nfs/dbraw/zinc/81/62/24/1202816224.db2.gz WAGZUBJGSRZGMY-HOCLYGCPSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001714175047 1202816559 /nfs/dbraw/zinc/81/65/59/1202816559.db2.gz WAGZUBJGSRZGMY-GDBMZVCRSA-N 0 3 310.869 3.194 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC001714233449 1202841851 /nfs/dbraw/zinc/84/18/51/1202841851.db2.gz VLZDMIIBEVUOPT-KBPBESRZSA-N 0 3 306.837 3.155 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001714270440 1202856925 /nfs/dbraw/zinc/85/69/25/1202856925.db2.gz YWOYSBJTOFZFCW-STQMWFEESA-N 0 3 310.388 3.476 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N[C@@H](C)c2ccccc2F)C1 ZINC001714274328 1202858790 /nfs/dbraw/zinc/85/87/90/1202858790.db2.gz UPRJXLFMACLKHY-KBPBESRZSA-N 0 3 304.409 3.337 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C(C)(C)CC(C)(C)C)cc1 ZINC001714323825 1202882690 /nfs/dbraw/zinc/88/26/90/1202882690.db2.gz RGSKUPGINRYODG-UHFFFAOYSA-N 0 3 314.473 3.488 20 30 DGEDHN CC1(C)CC(C(=O)N2CCC[C@@H]2CNCC#Cc2ccccc2)C1 ZINC001714334445 1202887350 /nfs/dbraw/zinc/88/73/50/1202887350.db2.gz BJLSAWHSOYEJRI-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN Cc1ccccc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001714371787 1202900608 /nfs/dbraw/zinc/90/06/08/1202900608.db2.gz YYMOTLZUXLVBQW-OAHLLOKOSA-N 0 3 321.424 3.022 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC001714452553 1202942659 /nfs/dbraw/zinc/94/26/59/1202942659.db2.gz GCHLMRWNULEQHP-PKOBYXMFSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1cccc(F)c1 ZINC001714499589 1202965027 /nfs/dbraw/zinc/96/50/27/1202965027.db2.gz FIEZSAGRNROCCX-CHWSQXEVSA-N 0 3 312.816 3.166 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H](C)n1cccc1 ZINC001714510729 1202972938 /nfs/dbraw/zinc/97/29/38/1202972938.db2.gz AESIIWJZYDRRHV-JKSUJKDBSA-N 0 3 323.868 3.162 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccc(C(C)C)cc1 ZINC001714536931 1202984415 /nfs/dbraw/zinc/98/44/15/1202984415.db2.gz MRGOBUIAZQGFAT-UHFFFAOYSA-N 0 3 300.446 3.017 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001714563625 1203006514 /nfs/dbraw/zinc/00/65/14/1203006514.db2.gz KTRKURISAFGRKF-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001714616698 1203052035 /nfs/dbraw/zinc/05/20/35/1203052035.db2.gz DTUJMXUJOBBSIE-HOCLYGCPSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001714620883 1203056576 /nfs/dbraw/zinc/05/65/76/1203056576.db2.gz OQPVJYOOMIPVJK-MRXNPFEDSA-N 0 3 312.413 3.050 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001714633924 1203065232 /nfs/dbraw/zinc/06/52/32/1203065232.db2.gz KQRVRUNHIGLCKS-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001714644156 1203071239 /nfs/dbraw/zinc/07/12/39/1203071239.db2.gz KRDLXUMPBRZRSC-ZWKOTPCHSA-N 0 3 312.457 3.032 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(Cc2ccccc2)C2CC2)cc1 ZINC001714666169 1203090138 /nfs/dbraw/zinc/09/01/38/1203090138.db2.gz IEVFRRGQFSPZKC-UHFFFAOYSA-N 0 3 318.420 3.062 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001714744070 1203114799 /nfs/dbraw/zinc/11/47/99/1203114799.db2.gz BHMBUUQSXZXAGD-SUMWQHHRSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)CCNC/C=C/Cl)c1ccccc1 ZINC001714804626 1203131521 /nfs/dbraw/zinc/13/15/21/1203131521.db2.gz HXTMBQRBZHGRBV-AYAUWGRQSA-N 0 3 306.837 3.147 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC(CN(C)C/C=C/Cl)CC2)C1 ZINC001714911938 1203196242 /nfs/dbraw/zinc/19/62/42/1203196242.db2.gz JTQQQZJCRBPHQX-QPJJXVBHSA-N 0 3 310.869 3.266 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001714924488 1203202640 /nfs/dbraw/zinc/20/26/40/1203202640.db2.gz IPHVOMNAKFPALP-OALUTQOASA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001714976983 1203224359 /nfs/dbraw/zinc/22/43/59/1203224359.db2.gz WRKYLGOZDXGGCX-HXUWFJFHSA-N 0 3 314.473 3.454 20 30 DGEDHN CC(C)C[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001714987302 1203226832 /nfs/dbraw/zinc/22/68/32/1203226832.db2.gz RZCKNCGHJZESKR-IKGGRYGDSA-N 0 3 304.478 3.003 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCCC)cc1 ZINC001714989660 1203227798 /nfs/dbraw/zinc/22/77/98/1203227798.db2.gz OEVGBSAYUXKWNE-OALUTQOASA-N 0 3 310.441 3.147 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001715046478 1203253137 /nfs/dbraw/zinc/25/31/37/1203253137.db2.gz NUODSJGBVSALBZ-SJORKVTESA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)N[C@@H](C)c1ccc(F)cc1F ZINC001715062892 1203259694 /nfs/dbraw/zinc/25/96/94/1203259694.db2.gz ZLQVMDSNLLVIOQ-ZFWWWQNUSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1ccnc(Cl)c1 ZINC001715072134 1203263160 /nfs/dbraw/zinc/26/31/60/1203263160.db2.gz SHEJSUDFKYNFAY-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN CC[C@@H](CNC(=O)CCCC1CC1)NCC#Cc1ccccc1 ZINC001715073251 1203263504 /nfs/dbraw/zinc/26/35/04/1203263504.db2.gz ULVVBBIGWXMWJC-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2C(C)(C)C2(C)C)CCCC1 ZINC001715092906 1203271030 /nfs/dbraw/zinc/27/10/30/1203271030.db2.gz VMZVYYWBJNYBRX-UHFFFAOYSA-N 0 3 312.885 3.440 20 30 DGEDHN CC[C@@H](F)CNCc1ccc(CNC(=O)C#CC(C)(C)C)cc1 ZINC001715197780 1203293870 /nfs/dbraw/zinc/29/38/70/1203293870.db2.gz ZDTDYBCBNPALBC-QGZVFWFLSA-N 0 3 318.436 3.190 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl)CC1 ZINC001715354580 1203322397 /nfs/dbraw/zinc/32/23/97/1203322397.db2.gz AJIOGIJSIFRYTA-GFCCVEGCSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC=C(Cl)Cl ZINC001715356857 1203323262 /nfs/dbraw/zinc/32/32/62/1203323262.db2.gz NBQLKJROFJSMSC-OLZOCXBDSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CCNCc1cnoc1C ZINC001715435357 1203341045 /nfs/dbraw/zinc/34/10/45/1203341045.db2.gz PQOOXTGFTACDME-KRWDZBQOSA-N 0 3 319.449 3.200 20 30 DGEDHN CC(C)[C@@H](CNC(=O)[C@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001715487076 1203350353 /nfs/dbraw/zinc/35/03/53/1203350353.db2.gz MREFPAHOYXICPR-VQTJNVASSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](NCc2ccns2)C(C)C)CC1 ZINC001715503203 1203354393 /nfs/dbraw/zinc/35/43/93/1203354393.db2.gz RLXPAJWACIVQOD-MRXNPFEDSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1conc1CC)C(C)C ZINC001715505461 1203354693 /nfs/dbraw/zinc/35/46/93/1203354693.db2.gz SRQUBSNEZZWIPW-MRXNPFEDSA-N 0 3 321.465 3.070 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001715528380 1203362712 /nfs/dbraw/zinc/36/27/12/1203362712.db2.gz CIWNJXKVVBDPOR-UHFFFAOYSA-N 0 3 300.446 3.079 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C(C)C)nc1C ZINC001715530569 1203363130 /nfs/dbraw/zinc/36/31/30/1203363130.db2.gz DQXREDTXNDCINM-UHFFFAOYSA-N 0 3 303.450 3.093 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001715536894 1203366133 /nfs/dbraw/zinc/36/61/33/1203366133.db2.gz YLMAYSKYSYMKKF-UHFFFAOYSA-N 0 3 301.217 3.183 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)c1ccccc1OC ZINC001715537813 1203366996 /nfs/dbraw/zinc/36/69/96/1203366996.db2.gz VHUBAEMKYQZCGN-INIZCTEOSA-N 0 3 318.461 3.155 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001715688893 1203381159 /nfs/dbraw/zinc/38/11/59/1203381159.db2.gz XRJBOYKTLCWQHT-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CN[C@H](C)c1cccc(Cl)c1 ZINC001715813278 1203395155 /nfs/dbraw/zinc/39/51/55/1203395155.db2.gz WXYYWQYKUOSOMX-IDTUSYRASA-N 0 3 318.848 3.467 20 30 DGEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C[C@@H]2CC=CCC2)c1 ZINC001715852642 1203397954 /nfs/dbraw/zinc/39/79/54/1203397954.db2.gz PEGGOMZGZCPRKW-VGOKWCNXSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2cc(C)ccc2n1 ZINC001715886316 1203400797 /nfs/dbraw/zinc/40/07/97/1203400797.db2.gz AOHNMTUJWYNMBQ-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc(C)cc1C ZINC001715921780 1203404457 /nfs/dbraw/zinc/40/44/57/1203404457.db2.gz HMPCTLDNVOLGKL-UHFFFAOYSA-N 0 3 302.462 3.202 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(F)c(Cl)c1F ZINC001715940748 1203407578 /nfs/dbraw/zinc/40/75/78/1203407578.db2.gz MFJTYCPKWBJXBO-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001715940575 1203407839 /nfs/dbraw/zinc/40/78/39/1203407839.db2.gz RTIUMKDDUPLALI-UHFFFAOYSA-N 0 3 308.853 3.194 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001715987964 1203416631 /nfs/dbraw/zinc/41/66/31/1203416631.db2.gz DTRUCXILXCQCJQ-MEDUHNTESA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](OC(C)C)c1ccccc1 ZINC001716036359 1203430994 /nfs/dbraw/zinc/43/09/94/1203430994.db2.gz RKGNOISZOPVAPH-GOSISDBHSA-N 0 3 318.461 3.119 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nsc2ccccc21 ZINC001716142187 1203442824 /nfs/dbraw/zinc/44/28/24/1203442824.db2.gz QJCFFJWZJYZHCZ-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001716394041 1203465966 /nfs/dbraw/zinc/46/59/66/1203465966.db2.gz MUMVIOSKLUPHPF-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001716394040 1203466168 /nfs/dbraw/zinc/46/61/68/1203466168.db2.gz MUMVIOSKLUPHPF-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001716418917 1203469810 /nfs/dbraw/zinc/46/98/10/1203469810.db2.gz JMELMUVCVMFDHA-UONOGXRCSA-N 0 3 321.490 3.286 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001716458078 1203477501 /nfs/dbraw/zinc/47/75/01/1203477501.db2.gz DEFKZQBINXZFND-DOTOQJQBSA-N 0 3 318.436 3.098 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001716459455 1203477962 /nfs/dbraw/zinc/47/79/62/1203477962.db2.gz JMELMUVCVMFDHA-KGLIPLIRSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001716498233 1203492055 /nfs/dbraw/zinc/49/20/55/1203492055.db2.gz PFNVLVIKTYRKQE-FUHWJXTLSA-N 0 3 302.462 3.439 20 30 DGEDHN C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001716509962 1203497104 /nfs/dbraw/zinc/49/71/04/1203497104.db2.gz ICRCAPOSFPVAQX-ZFWWWQNUSA-N 0 3 322.836 3.023 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1nccs1 ZINC001716513545 1203497889 /nfs/dbraw/zinc/49/78/89/1203497889.db2.gz DBEUEQPCEGGANR-HUUCEWRRSA-N 0 3 321.490 3.264 20 30 DGEDHN CC(C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1)=C1CCC1 ZINC001716609465 1203506131 /nfs/dbraw/zinc/50/61/31/1203506131.db2.gz GEGJRJZYSQNTHK-FQEVSTJZSA-N 0 3 322.452 3.023 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nccs2)[C@@H](CC)C1 ZINC001716634574 1203510184 /nfs/dbraw/zinc/51/01/84/1203510184.db2.gz CKJFATVYPGGJTI-LSDHHAIUSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001716649274 1203513648 /nfs/dbraw/zinc/51/36/48/1203513648.db2.gz FNNSPNFQWXBGGW-IEBWSBKVSA-N 0 3 310.441 3.058 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cccc(Cl)c1F ZINC001716664381 1203518798 /nfs/dbraw/zinc/51/87/98/1203518798.db2.gz RLBHXYFOYJGHOR-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1cccc(F)c1F ZINC001716672996 1203521624 /nfs/dbraw/zinc/52/16/24/1203521624.db2.gz JPTPZSCKWPNUBA-OAHLLOKOSA-N 0 3 322.399 3.054 20 30 DGEDHN CCC/C=C/CCN1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001716671048 1203521964 /nfs/dbraw/zinc/52/19/64/1203521964.db2.gz KMMVQSKUERQOIP-DPZZJQGRSA-N 0 3 324.468 3.365 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001716693580 1203526678 /nfs/dbraw/zinc/52/66/78/1203526678.db2.gz WQSRHWMGGGTGGB-MRXNPFEDSA-N 0 3 306.475 3.397 20 30 DGEDHN CC#CCNC1(CNC(=O)CC2CCC(C(C)(C)C)CC2)CC1 ZINC001716701873 1203528163 /nfs/dbraw/zinc/52/81/63/1203528163.db2.gz FFXWAWQFNSFRON-UHFFFAOYSA-N 0 3 318.505 3.491 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCC2(C)CC2)C1 ZINC001716705666 1203529063 /nfs/dbraw/zinc/52/90/63/1203529063.db2.gz DNRMFKDSJUPTPP-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001716735324 1203534734 /nfs/dbraw/zinc/53/47/34/1203534734.db2.gz NSWRNKFJPXRBIG-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2nccs2)C[C@@H]1C ZINC001716762221 1203539566 /nfs/dbraw/zinc/53/95/66/1203539566.db2.gz VUBSFGJZQKYEEU-UONOGXRCSA-N 0 3 321.490 3.215 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001716782830 1203542017 /nfs/dbraw/zinc/54/20/17/1203542017.db2.gz RSNDGETZVZFGMS-ZDUSSCGKSA-N 0 3 317.260 3.080 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001716852696 1203556393 /nfs/dbraw/zinc/55/63/93/1203556393.db2.gz LJVLYDMHOGPCNS-UGSOOPFHSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](CC=C)c2ccccc2)CC1 ZINC001716889344 1203562110 /nfs/dbraw/zinc/56/21/10/1203562110.db2.gz GHWWJPLEWZUOFD-LJQANCHMSA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](C)CC)c1ccccc1CC ZINC001716954518 1203569544 /nfs/dbraw/zinc/56/95/44/1203569544.db2.gz XSRDUOQTWZQBJA-CRAIPNDOSA-N 0 3 300.446 3.065 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001717042713 1203581196 /nfs/dbraw/zinc/58/11/96/1203581196.db2.gz DEIFIKPTLGLSOZ-MELADBBJSA-N 0 3 318.383 3.074 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C(C)(F)F ZINC001717113399 1203585817 /nfs/dbraw/zinc/58/58/17/1203585817.db2.gz LREVQLTZPBJWFT-CYBMUJFWSA-N 0 3 310.388 3.212 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C(F)(F)F ZINC001717113170 1203585980 /nfs/dbraw/zinc/58/59/80/1203585980.db2.gz HEVBVOWTNUMQCE-GFCCVEGCSA-N 0 3 314.351 3.119 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CC(C)(C)CC(F)F)CC1 ZINC001717198051 1203597406 /nfs/dbraw/zinc/59/74/06/1203597406.db2.gz KQCQNVGWMOCDSO-AWEZNQCLSA-N 0 3 314.420 3.052 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)CC(C)C)C2 ZINC001717247632 1203610138 /nfs/dbraw/zinc/61/01/38/1203610138.db2.gz MAAAJCLWGNBBMQ-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)CCCF)cc2C1 ZINC001717270535 1203610841 /nfs/dbraw/zinc/61/08/41/1203610841.db2.gz BMTFNFINRMFUSC-UHFFFAOYSA-N 0 3 304.409 3.334 20 30 DGEDHN CCCCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001717272877 1203611619 /nfs/dbraw/zinc/61/16/19/1203611619.db2.gz RWGXRFFBOLFDJX-XJKSGUPXSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001717311263 1203617183 /nfs/dbraw/zinc/61/71/83/1203617183.db2.gz XDGNDNIXSIMDMT-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001717334299 1203619715 /nfs/dbraw/zinc/61/97/15/1203619715.db2.gz RUVGZAGXQHZNBB-KBPBESRZSA-N 0 3 318.383 3.102 20 30 DGEDHN CC[C@@H](C)CN1CCc2ccccc2[C@H]1CNC(=O)C#CC1CC1 ZINC001717344849 1203622910 /nfs/dbraw/zinc/62/29/10/1203622910.db2.gz ZOJNDTXOMKKMSS-OXQOHEQNSA-N 0 3 324.468 3.162 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CC(C)(C)C ZINC001717398404 1203635923 /nfs/dbraw/zinc/63/59/23/1203635923.db2.gz DWHJGWHSVXPCDQ-OLZOCXBDSA-N 0 3 319.424 3.116 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)CCCC1CC1 ZINC001717423059 1203640980 /nfs/dbraw/zinc/64/09/80/1203640980.db2.gz OGXWXRLTXXDFKM-CHWSQXEVSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001717457244 1203648719 /nfs/dbraw/zinc/64/87/19/1203648719.db2.gz BRFDXFJMQCTNAA-RHSMWYFYSA-N 0 3 312.885 3.393 20 30 DGEDHN Cc1ccccc1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001717464865 1203651575 /nfs/dbraw/zinc/65/15/75/1203651575.db2.gz ICKYTTNLJSPFQY-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN C=CCOCC(=O)NC[C@@H](C)N(C)[C@H](C)c1cccc(Cl)c1 ZINC001717467104 1203653473 /nfs/dbraw/zinc/65/34/73/1203653473.db2.gz UYZVJAXPJOJGQF-ZIAGYGMSSA-N 0 3 324.852 3.040 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC001717538457 1203676550 /nfs/dbraw/zinc/67/65/50/1203676550.db2.gz JOVJAAZNYVLPDO-BNCSFYMNSA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001717540776 1203677616 /nfs/dbraw/zinc/67/76/16/1203677616.db2.gz SESIMXVTRQUFPC-HOTGVXAUSA-N 0 3 304.434 3.005 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001717559392 1203681964 /nfs/dbraw/zinc/68/19/64/1203681964.db2.gz QVURNAFOSLIERV-DLBZAZTESA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001717559396 1203682131 /nfs/dbraw/zinc/68/21/31/1203682131.db2.gz QVURNAFOSLIERV-IRXDYDNUSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C/C=C\c2ccc(F)cc2)C(C)(C)C1 ZINC001717582611 1203685691 /nfs/dbraw/zinc/68/56/91/1203685691.db2.gz MTKZFQWREMXFNK-KEGWNNHHSA-N 0 3 316.420 3.242 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(C)s2)C(C)(C)C1 ZINC001717590468 1203688283 /nfs/dbraw/zinc/68/82/83/1203688283.db2.gz YOMAFPFADKWNNY-MRXNPFEDSA-N 0 3 320.502 3.392 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001717642818 1203693200 /nfs/dbraw/zinc/69/32/00/1203693200.db2.gz IIEHFIOWAJDDPD-JYJNAYRXSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC001717686535 1203699099 /nfs/dbraw/zinc/69/90/99/1203699099.db2.gz DXRRYIJWIXSZMP-CHWSQXEVSA-N 0 3 319.287 3.062 20 30 DGEDHN CC(C)[C@@H](C)C(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001717687526 1203699109 /nfs/dbraw/zinc/69/91/09/1203699109.db2.gz YSQGIYJKESMPIG-JKSUJKDBSA-N 0 3 315.461 3.225 20 30 DGEDHN CC[C@@H]1C[C@H]1C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001717703811 1203702628 /nfs/dbraw/zinc/70/26/28/1203702628.db2.gz NBRRLYJFVSAHHQ-UYAOXDASSA-N 0 3 324.468 3.007 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001717738604 1203707383 /nfs/dbraw/zinc/70/73/83/1203707383.db2.gz PZIRLGNPQZHAHL-WFASDCNBSA-N 0 3 323.506 3.299 20 30 DGEDHN CCCC(=O)N1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001717786762 1203711866 /nfs/dbraw/zinc/71/18/66/1203711866.db2.gz VLKKUAYBKNKCNS-WMLDXEAASA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001717810184 1203715184 /nfs/dbraw/zinc/71/51/84/1203715184.db2.gz UBKOOCVKCMWHOE-ZBFHGGJFSA-N 0 3 304.459 3.021 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CC3(C)CCCCC3)CCC[C@@H]12 ZINC001717838294 1203718988 /nfs/dbraw/zinc/71/89/88/1203718988.db2.gz SVTXGHUZYTXFIT-YLJYHZDGSA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCCCC(=O)N[C@@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001717843692 1203720188 /nfs/dbraw/zinc/72/01/88/1203720188.db2.gz YKTXVTPXGZHOQF-IEBWSBKVSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCCC[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001717955838 1203735463 /nfs/dbraw/zinc/73/54/63/1203735463.db2.gz YBMUXBKZFYCXEP-INIZCTEOSA-N 0 3 304.434 3.093 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001717983634 1203740070 /nfs/dbraw/zinc/74/00/70/1203740070.db2.gz JHFREAHUYSIQAV-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCC=C(C)C)C1 ZINC001717986327 1203740729 /nfs/dbraw/zinc/74/07/29/1203740729.db2.gz GCKQBZJZOHPYMB-KGLIPLIRSA-N 0 3 318.383 3.288 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001752969109 1203944743 /nfs/dbraw/zinc/94/47/43/1203944743.db2.gz PSCSHIIXQPSHJA-XMNZZIDVSA-N 0 3 317.260 3.126 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1oc(CC)nc1C ZINC001723088241 1203957510 /nfs/dbraw/zinc/95/75/10/1203957510.db2.gz QJEASPSGOPQQQY-UHFFFAOYSA-N 0 3 321.465 3.086 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccsc1Cl ZINC001723142597 1203958514 /nfs/dbraw/zinc/95/85/14/1203958514.db2.gz RHDRZWUVWFDARS-UHFFFAOYSA-N 0 3 307.246 3.206 20 30 DGEDHN C#CCCCC(=O)N[C@@H](CNCc1cc2ccccc2o1)C1CC1 ZINC001723292770 1203962106 /nfs/dbraw/zinc/96/21/06/1203962106.db2.gz XRWCEQMTADRJRW-SFHVURJKSA-N 0 3 324.424 3.221 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001723334227 1203964241 /nfs/dbraw/zinc/96/42/41/1203964241.db2.gz OGTSUCUMVPCXOU-LBPRGKRZSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001723430024 1203970646 /nfs/dbraw/zinc/97/06/46/1203970646.db2.gz UPGUSZIIZBODIB-SJLPKXTDSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001723468473 1203976329 /nfs/dbraw/zinc/97/63/29/1203976329.db2.gz BBTIZJASIDSBOR-ZBFHGGJFSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001723472061 1203976795 /nfs/dbraw/zinc/97/67/95/1203976795.db2.gz XEYHFJYPCCFFOE-HNAYVOBHSA-N 0 3 323.440 3.394 20 30 DGEDHN N#Cc1cccc(CNC2(CNC(=O)C[C@H]3C=CCCC3)CC2)c1 ZINC001723530487 1203980748 /nfs/dbraw/zinc/98/07/48/1203980748.db2.gz VGHHGKDGPFVKKY-INIZCTEOSA-N 0 3 323.440 3.043 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001723722727 1203990226 /nfs/dbraw/zinc/99/02/26/1203990226.db2.gz XEUXNVPFGAOWOI-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN CC[C@@H](C)CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001723896519 1203998054 /nfs/dbraw/zinc/99/80/54/1203998054.db2.gz BYJAMMXNCWPBLR-MJGOQNOKSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001723998156 1204000942 /nfs/dbraw/zinc/00/09/42/1204000942.db2.gz ZEGSYAAQQPCXSK-HNNXBMFYSA-N 0 3 316.445 3.331 20 30 DGEDHN C#CCN(C(=O)CCC)C1CCN(Cc2csc(C)c2)CC1 ZINC001724027667 1204002301 /nfs/dbraw/zinc/00/23/01/1204002301.db2.gz DUGLTSBJYVWGHQ-UHFFFAOYSA-N 0 3 318.486 3.283 20 30 DGEDHN C#CCN(C(=O)c1occc1C)C1CCN(CC=C(C)C)CC1 ZINC001724029687 1204002405 /nfs/dbraw/zinc/00/24/05/1204002405.db2.gz SIOBWMRNVIDFMV-UHFFFAOYSA-N 0 3 314.429 3.094 20 30 DGEDHN C=CCCCCCN1CC[C@](C)(NC(=O)c2ccns2)C1 ZINC001724154932 1204010141 /nfs/dbraw/zinc/01/01/41/1204010141.db2.gz WEHCRRIGFRSXDE-INIZCTEOSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001724174593 1204011749 /nfs/dbraw/zinc/01/17/49/1204011749.db2.gz JHVSMNGIGBXFKE-PKOBYXMFSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C/C=C/Cc2ccccc2)CC1 ZINC001724294627 1204018408 /nfs/dbraw/zinc/01/84/08/1204018408.db2.gz SQWZYODTMGZUPJ-BQYQJAHWSA-N 0 3 324.468 3.027 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](CC)CCCCC)CC1 ZINC001724307107 1204019721 /nfs/dbraw/zinc/01/97/21/1204019721.db2.gz RULZLSCFFKTBLX-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccnc3ccccc32)C1 ZINC001724329143 1204021970 /nfs/dbraw/zinc/02/19/70/1204021970.db2.gz SCRRNUMPICNYCN-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC(C)(F)F)c1ccccc1CC ZINC001724511978 1204026836 /nfs/dbraw/zinc/02/68/36/1204026836.db2.gz PNDKRERKTVSYQR-INIZCTEOSA-N 0 3 322.399 3.065 20 30 DGEDHN C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646023 1204035021 /nfs/dbraw/zinc/03/50/21/1204035021.db2.gz RAJFTVNSKDKBEB-DLBZAZTESA-N 0 3 314.429 3.037 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646023 1204035023 /nfs/dbraw/zinc/03/50/23/1204035023.db2.gz RAJFTVNSKDKBEB-DLBZAZTESA-N 0 3 314.429 3.037 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CCC(C)(F)F)C1 ZINC001724711044 1204039011 /nfs/dbraw/zinc/03/90/11/1204039011.db2.gz LVLTZHHXYZGQME-GFCCVEGCSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC001724733616 1204040839 /nfs/dbraw/zinc/04/08/39/1204040839.db2.gz HLCYHXWEJRNMDH-INIZCTEOSA-N 0 3 320.864 3.118 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CC3CCCC3)cccc2C1 ZINC001724776673 1204045157 /nfs/dbraw/zinc/04/51/57/1204045157.db2.gz KMPZHQZMFYBYOI-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN CCCCC(=O)NCC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC001724782983 1204046723 /nfs/dbraw/zinc/04/67/23/1204046723.db2.gz NKRVFIMQNFTUHU-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](C)CC2CCCCC2)CCC1 ZINC001724797087 1204048604 /nfs/dbraw/zinc/04/86/04/1204048604.db2.gz QCZXQNNXKVEIGS-MRXNPFEDSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cscc1C(F)F ZINC001724849989 1204055886 /nfs/dbraw/zinc/05/58/86/1204055886.db2.gz DTHNEJKNPKYYBM-UHFFFAOYSA-N 0 3 314.401 3.103 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCN(C)CC#CC)CCCCC1 ZINC001724862094 1204060488 /nfs/dbraw/zinc/06/04/88/1204060488.db2.gz ZCAPUOOBNPGBNR-UHFFFAOYSA-N 0 3 304.478 3.317 20 30 DGEDHN C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1CC(C)C ZINC001724892620 1204063357 /nfs/dbraw/zinc/06/33/57/1204063357.db2.gz HKSKRNWHDSUYEP-GOSISDBHSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C/C ZINC001724891700 1204063489 /nfs/dbraw/zinc/06/34/89/1204063489.db2.gz BALPGWAPJWHIAU-WPBBSXQFSA-N 0 3 312.457 3.462 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ncccc2C)[C@H](C)C1 ZINC001725000473 1204077457 /nfs/dbraw/zinc/07/74/57/1204077457.db2.gz YWDTXFFPIOENFS-IAGOWNOFSA-N 0 3 315.461 3.215 20 30 DGEDHN C=C(C)CCN1CCOC2(CCN(C(=O)CCC(C)C)CC2)C1 ZINC001725010000 1204078942 /nfs/dbraw/zinc/07/89/42/1204078942.db2.gz BJVBMSBDBHNOAC-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)cs1 ZINC001725031730 1204082038 /nfs/dbraw/zinc/08/20/38/1204082038.db2.gz AZYOHGKCGYKATE-SJLPKXTDSA-N 0 3 324.449 3.065 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2ccncc2s1 ZINC001725041912 1204084441 /nfs/dbraw/zinc/08/44/41/1204084441.db2.gz PPPTWNREJGPFFZ-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC001725053825 1204086292 /nfs/dbraw/zinc/08/62/92/1204086292.db2.gz OUHIBJAVPKHOAK-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@H](C)NCc2scnc2C)CC1 ZINC001725105414 1204095544 /nfs/dbraw/zinc/09/55/44/1204095544.db2.gz FVQAIQFEZHZGNN-QWHCGFSZSA-N 0 3 321.490 3.181 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001725154340 1204105187 /nfs/dbraw/zinc/10/51/87/1204105187.db2.gz COHZPXWTMKBDSZ-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725172328 1204110307 /nfs/dbraw/zinc/11/03/07/1204110307.db2.gz KVMDPNCASCANJE-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001725179493 1204112708 /nfs/dbraw/zinc/11/27/08/1204112708.db2.gz RKQHVDXMHCIIAL-ZDUSSCGKSA-N 0 3 308.853 3.240 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001725186982 1204115330 /nfs/dbraw/zinc/11/53/30/1204115330.db2.gz JUOFFBKBSDVNBN-KGLIPLIRSA-N 0 3 300.402 3.159 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2ocnc2C)C(C)(C)C1 ZINC001725289247 1204133651 /nfs/dbraw/zinc/13/36/51/1204133651.db2.gz YMSNSWNTIIMADV-OAHLLOKOSA-N 0 3 321.465 3.394 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CN(CCCF)CC2(C)C)CCCCC1 ZINC001725297678 1204135611 /nfs/dbraw/zinc/13/56/11/1204135611.db2.gz LJXIULOWQXPZFM-INIZCTEOSA-N 0 3 322.468 3.146 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2ncccc2o1 ZINC001725391551 1204144596 /nfs/dbraw/zinc/14/45/96/1204144596.db2.gz BGGDHMCJICDPGC-GFCCVEGCSA-N 0 3 321.808 3.068 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001725513115 1204163405 /nfs/dbraw/zinc/16/34/05/1204163405.db2.gz FZWLMFBYCCGFIQ-KRWDZBQOSA-N 0 3 320.436 3.427 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001725576168 1204170138 /nfs/dbraw/zinc/17/01/38/1204170138.db2.gz SACVDZHSTKNQRK-KGLIPLIRSA-N 0 3 319.474 3.279 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2csc3ccccc23)C1 ZINC001725589100 1204173499 /nfs/dbraw/zinc/17/34/99/1204173499.db2.gz OAXAWNMKDJNIPK-KGLIPLIRSA-N 0 3 312.438 3.117 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)C(CC)CC)CCC[C@H]12 ZINC001725610074 1204178523 /nfs/dbraw/zinc/17/85/23/1204178523.db2.gz RWGSHLLLAXOUNK-HHXXYDBFSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC001725618017 1204181522 /nfs/dbraw/zinc/18/15/22/1204181522.db2.gz FKMMISYIQFWRCH-STQMWFEESA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cc(C)cc(C)c2)[C@H]1C ZINC001725617912 1204181583 /nfs/dbraw/zinc/18/15/83/1204181583.db2.gz CZLACKNZFFHRPI-MJGOQNOKSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001725622326 1204183234 /nfs/dbraw/zinc/18/32/34/1204183234.db2.gz HCZXZUVGGKECAJ-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC3CCCCC3)CCC[C@@H]12 ZINC001725628089 1204185384 /nfs/dbraw/zinc/18/53/84/1204185384.db2.gz LOWMIFXMGNLHNC-UYAOXDASSA-N 0 3 316.489 3.483 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CCc1ccccc1)C(C)C ZINC001725733483 1204205774 /nfs/dbraw/zinc/20/57/74/1204205774.db2.gz PSCVACZEFWDKJU-UHFFFAOYSA-N 0 3 302.462 3.364 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CCCC2CCCC2)CC1 ZINC001725763688 1204215667 /nfs/dbraw/zinc/21/56/67/1204215667.db2.gz GRIUHOFMJQBBCM-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN CCC(C)(C)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001725783947 1204221685 /nfs/dbraw/zinc/22/16/85/1204221685.db2.gz NPHWBVNKWBQBOP-UHFFFAOYSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](CCC)C(C)C)CC2)CC1 ZINC001725793140 1204223870 /nfs/dbraw/zinc/22/38/70/1204223870.db2.gz APQHDXVEDPVSBI-QGZVFWFLSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCCC(=O)NCC1=CCN(Cc2cccc(C)c2)CC1 ZINC001725812973 1204226468 /nfs/dbraw/zinc/22/64/68/1204226468.db2.gz IAPWGSQJZQGHJX-UHFFFAOYSA-N 0 3 324.468 3.437 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(F)c1 ZINC001725831004 1204229389 /nfs/dbraw/zinc/22/93/89/1204229389.db2.gz IADNOPIFOASTHV-CQSZACIVSA-N 0 3 302.393 3.074 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cccc(C)c2)c(F)c1 ZINC001725830738 1204229869 /nfs/dbraw/zinc/22/98/69/1204229869.db2.gz FLOKDBMEQGTOHV-UHFFFAOYSA-N 0 3 312.388 3.340 20 30 DGEDHN C#CCCCCC(=O)N(C)CCNCc1c(C)cccc1Cl ZINC001753181434 1204331506 /nfs/dbraw/zinc/33/15/06/1204331506.db2.gz JNCKKFYVMTZKPB-UHFFFAOYSA-N 0 3 320.864 3.390 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001731288298 1204363165 /nfs/dbraw/zinc/36/31/65/1204363165.db2.gz CWFCFQUASMNPMZ-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001731372736 1204387037 /nfs/dbraw/zinc/38/70/37/1204387037.db2.gz IRJKSTSOLJJRLG-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2c(C)ccn2C)CC1 ZINC001731383190 1204390137 /nfs/dbraw/zinc/39/01/37/1204390137.db2.gz BWZVACISQGUEMG-UHFFFAOYSA-N 0 3 317.477 3.226 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCn2cccc2)CC1 ZINC001731388097 1204392845 /nfs/dbraw/zinc/39/28/45/1204392845.db2.gz UJSFKQYTEIQJFD-UHFFFAOYSA-N 0 3 317.477 3.157 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001731389754 1204394334 /nfs/dbraw/zinc/39/43/34/1204394334.db2.gz BHHWKXAWYSLQHV-WBMJQRKESA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001731453340 1204416727 /nfs/dbraw/zinc/41/67/27/1204416727.db2.gz DSIZTGVVKXIXLI-WKILWMFISA-N 0 3 318.436 3.473 20 30 DGEDHN O=C(C[C@@H]1CC=CCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001731451961 1204416922 /nfs/dbraw/zinc/41/69/22/1204416922.db2.gz ZBYPNWVGTRGGHL-VAMGGRTRSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001731556689 1204459147 /nfs/dbraw/zinc/45/91/47/1204459147.db2.gz CGRUFCGCCUZDHM-DLBZAZTESA-N 0 3 315.461 3.155 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001731627848 1204489372 /nfs/dbraw/zinc/48/93/72/1204489372.db2.gz WIAFWLLBDBFWOY-CXAGYDPISA-N 0 3 321.490 3.430 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2scc(C)c2Cl)C1 ZINC001731712257 1204516277 /nfs/dbraw/zinc/51/62/77/1204516277.db2.gz FVCBODGZVSHHET-ZDUSSCGKSA-N 0 3 324.877 3.270 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001731820236 1204584368 /nfs/dbraw/zinc/58/43/68/1204584368.db2.gz MKSJTPXHJHELLI-KRWDZBQOSA-N 0 3 318.486 3.331 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001731855224 1204603833 /nfs/dbraw/zinc/60/38/33/1204603833.db2.gz MLCBASWURUGMOG-MRXNPFEDSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001731857262 1204604446 /nfs/dbraw/zinc/60/44/46/1204604446.db2.gz KEYYCIVYJYCFCG-INIZCTEOSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(Cc2ccccc2)CC1)C1CC1 ZINC001731876533 1204618448 /nfs/dbraw/zinc/61/84/48/1204618448.db2.gz MGCSPTIFTFAVAP-UHFFFAOYSA-N 0 3 312.457 3.166 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1)C1CC1 ZINC001731879938 1204620235 /nfs/dbraw/zinc/62/02/35/1204620235.db2.gz CZRGPBRHALVJOB-ZWKOTPCHSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001731939665 1204632753 /nfs/dbraw/zinc/63/27/53/1204632753.db2.gz HITSERNOJGMMLX-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C=C[C@H](CC(=O)N(C)CCNC/C=C/Cl)c1ccccc1 ZINC001731986476 1204640192 /nfs/dbraw/zinc/64/01/92/1204640192.db2.gz QNPGPFVFHMRXOK-JOZWUWCOSA-N 0 3 306.837 3.147 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC001732024937 1204653238 /nfs/dbraw/zinc/65/32/38/1204653238.db2.gz YZMBGXKJIMKBTO-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC001732024941 1204653444 /nfs/dbraw/zinc/65/34/44/1204653444.db2.gz YZMBGXKJIMKBTO-SFHVURJKSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)ccc1C ZINC001732027727 1204654193 /nfs/dbraw/zinc/65/41/93/1204654193.db2.gz VTGZESXJKAZVGY-KDURUIRLSA-N 0 3 312.457 3.445 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)c2ccco2)C1 ZINC001732078469 1204682974 /nfs/dbraw/zinc/68/29/74/1204682974.db2.gz SUXQRRVBEQXENV-JKSUJKDBSA-N 0 3 304.434 3.272 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001732142865 1204712212 /nfs/dbraw/zinc/71/22/12/1204712212.db2.gz ZJMIZRGARNUWQU-NNPSNHGLSA-N 0 3 302.462 3.064 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)(F)F ZINC001732150413 1204714418 /nfs/dbraw/zinc/71/44/18/1204714418.db2.gz XBNDMHCVUMXZOB-AVGNSLFASA-N 0 3 318.383 3.215 20 30 DGEDHN CCCCCCCN1CC[C@H](N(C)C(=O)c2cc(C)no2)C1 ZINC001732156088 1204718138 /nfs/dbraw/zinc/71/81/38/1204718138.db2.gz GTJQTYYVRJOQET-HNNXBMFYSA-N 0 3 307.438 3.100 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001732175215 1204730528 /nfs/dbraw/zinc/73/05/28/1204730528.db2.gz XSABQEOPTPZBSU-QZTJIDSGSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(CC)C(=O)c2ccns2)C1 ZINC001732182384 1204735266 /nfs/dbraw/zinc/73/52/66/1204735266.db2.gz MTRXNXLKSJSPTM-HNNXBMFYSA-N 0 3 321.490 3.426 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1)OCC ZINC001732182103 1204735692 /nfs/dbraw/zinc/73/56/92/1204735692.db2.gz JWIOFJBCDPDULI-QZTJIDSGSA-N 0 3 322.493 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001732187069 1204738274 /nfs/dbraw/zinc/73/82/74/1204738274.db2.gz WZDPCALNLCBHBB-CVEARBPZSA-N 0 3 304.434 3.272 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001732210477 1204751666 /nfs/dbraw/zinc/75/16/66/1204751666.db2.gz GZWPSAUPYJHVLF-DYVFJYSZSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H]1C=CCCC1)C1CC1 ZINC001732245680 1204768635 /nfs/dbraw/zinc/76/86/35/1204768635.db2.gz OSUMZDKRFUQJJV-PBHICJAKSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1(F)CCCCC1)C1CC1 ZINC001732251363 1204770431 /nfs/dbraw/zinc/77/04/31/1204770431.db2.gz MWIBFIFTDSYUSY-OAHLLOKOSA-N 0 3 316.848 3.286 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001732271103 1204776995 /nfs/dbraw/zinc/77/69/95/1204776995.db2.gz HVEOKHBRJOCTCA-HIFRSBDPSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001732280383 1204778488 /nfs/dbraw/zinc/77/84/88/1204778488.db2.gz VHTHOXZOQRXSGG-LBPRGKRZSA-N 0 3 322.827 3.249 20 30 DGEDHN C=CCCC(=O)NCc1ccc(CNCCC(F)(F)F)cc1 ZINC001732314195 1204788110 /nfs/dbraw/zinc/78/81/10/1204788110.db2.gz ALIGKXVIJATOMS-UHFFFAOYSA-N 0 3 314.351 3.311 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)C(C)(C)C)cc1 ZINC001732318385 1204789705 /nfs/dbraw/zinc/78/97/05/1204789705.db2.gz ZPYDDGNTFFWWKL-HNNXBMFYSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)CNCc1cc(O)ccc1Cl ZINC001732345645 1204799077 /nfs/dbraw/zinc/79/90/77/1204799077.db2.gz KWTXHJFTJVVTJC-CYBMUJFWSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCc2cnccc2C)CC1 ZINC001732434724 1204838627 /nfs/dbraw/zinc/83/86/27/1204838627.db2.gz AIAXKBUSGCYXHB-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCC[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001732475860 1204863382 /nfs/dbraw/zinc/86/33/82/1204863382.db2.gz SWYNXMQURALEJL-QGZVFWFLSA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nc(C)cs2)[C@@H](C)C1 ZINC001732484432 1204867211 /nfs/dbraw/zinc/86/72/11/1204867211.db2.gz FCIGXOGGFDRWNA-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nc(C)cs2)[C@H](C)C1 ZINC001732484430 1204867890 /nfs/dbraw/zinc/86/78/90/1204867890.db2.gz FCIGXOGGFDRWNA-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](NCc2ccccn2)C(C)C)CCC1 ZINC001732568654 1204900626 /nfs/dbraw/zinc/90/06/26/1204900626.db2.gz ZLCZXFDBSNXQRM-KRWDZBQOSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(Cl)cc1)C(C)C ZINC001732573035 1204902023 /nfs/dbraw/zinc/90/20/23/1204902023.db2.gz YIECJUPPKJHZQX-AWEZNQCLSA-N 0 3 315.244 3.437 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)Cc1ccc2ccccc2c1 ZINC001732581064 1204907015 /nfs/dbraw/zinc/90/70/15/1204907015.db2.gz QBOFXXHEOJTTGY-UHFFFAOYSA-N 0 3 322.452 3.389 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001732584068 1204908598 /nfs/dbraw/zinc/90/85/98/1204908598.db2.gz CRCUEAFWCAZTRC-UHFFFAOYSA-N 0 3 314.473 3.401 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001732729000 1204935141 /nfs/dbraw/zinc/93/51/41/1204935141.db2.gz PYAZCYMOABKSEZ-NEPJUHHUSA-N 0 3 300.855 3.089 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2conc2C)CCCC1 ZINC001732758174 1204939687 /nfs/dbraw/zinc/93/96/87/1204939687.db2.gz XERCMNHMFRNZNT-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001732795098 1204945148 /nfs/dbraw/zinc/94/51/48/1204945148.db2.gz KYAFRNIQFZXFFX-LJQANCHMSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001732899769 1204956605 /nfs/dbraw/zinc/95/66/05/1204956605.db2.gz LDWYINXROUOUSW-IPLHWJFFSA-N 0 3 304.409 3.190 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001732899771 1204956896 /nfs/dbraw/zinc/95/68/96/1204956896.db2.gz LDWYINXROUOUSW-MJRGOJFPSA-N 0 3 304.409 3.190 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001732994984 1204976800 /nfs/dbraw/zinc/97/68/00/1204976800.db2.gz MUMVIOSKLUPHPF-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001733026703 1204985703 /nfs/dbraw/zinc/98/57/03/1204985703.db2.gz KAZWTQTYBZSAED-UVRXNYFOSA-N 0 3 306.837 3.193 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)/C=C/C(C)(C)C ZINC001733028569 1204987256 /nfs/dbraw/zinc/98/72/56/1204987256.db2.gz BLDQUADMOMAEPL-BOLDSZDNSA-N 0 3 313.445 3.097 20 30 DGEDHN Cc1cc(Cl)ccc1CN(C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001733037300 1204992879 /nfs/dbraw/zinc/99/28/79/1204992879.db2.gz GWEWGJMSNNXRTH-OAHLLOKOSA-N 0 3 320.864 3.244 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C)cc2)cc1 ZINC001733048650 1205001101 /nfs/dbraw/zinc/00/11/01/1205001101.db2.gz MOJJMPKAYKVUQH-KRWDZBQOSA-N 0 3 320.436 3.227 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001733093159 1205022622 /nfs/dbraw/zinc/02/26/22/1205022622.db2.gz RALCRNPDIZVLGO-AWEZNQCLSA-N 0 3 319.424 3.072 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCNCc1nc(C)c(C)s1 ZINC001733103435 1205024661 /nfs/dbraw/zinc/02/46/61/1205024661.db2.gz FQXQMMQGHMLYNX-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)C1CCCCC1 ZINC001733164058 1205030930 /nfs/dbraw/zinc/03/09/30/1205030930.db2.gz RDCSGGJLKJQUEO-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001733223061 1205051694 /nfs/dbraw/zinc/05/16/94/1205051694.db2.gz HNLRODMNOQMQIR-IEBWSBKVSA-N 0 3 310.441 3.058 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001733237522 1205063263 /nfs/dbraw/zinc/06/32/63/1205063263.db2.gz NXHKGHYROLYWIS-FUHWJXTLSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001733236923 1205063291 /nfs/dbraw/zinc/06/32/91/1205063291.db2.gz LKCDAIZJQCCGKL-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001733238935 1205065609 /nfs/dbraw/zinc/06/56/09/1205065609.db2.gz WISIUCCTZRBXSU-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C[C@H](C)CC(C)C)C2)CC1 ZINC001733291756 1205084740 /nfs/dbraw/zinc/08/47/40/1205084740.db2.gz CXUFRCLCRGDNBH-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001733296035 1205086098 /nfs/dbraw/zinc/08/60/98/1205086098.db2.gz CMWGZCAMIRXNNO-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001733297526 1205086187 /nfs/dbraw/zinc/08/61/87/1205086187.db2.gz PQBLEVXJHFCAKA-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCC(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001733357324 1205104585 /nfs/dbraw/zinc/10/45/85/1205104585.db2.gz ADEZYLCYWGIXKZ-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@H](F)C1)C1CCN(CC=C(C)C)CC1 ZINC001733372542 1205107965 /nfs/dbraw/zinc/10/79/65/1205107965.db2.gz QSQKQQRBWGSNBT-IRXDYDNUSA-N 0 3 320.452 3.017 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)CCCC)C2 ZINC001733393125 1205115153 /nfs/dbraw/zinc/11/51/53/1205115153.db2.gz OEZZSXHLVJCXNP-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001733398527 1205117515 /nfs/dbraw/zinc/11/75/15/1205117515.db2.gz PWKXGLWDVCMSES-MJGOQNOKSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001733409663 1205121447 /nfs/dbraw/zinc/12/14/47/1205121447.db2.gz BVNSUVHHMBVFSS-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001733411353 1205123282 /nfs/dbraw/zinc/12/32/82/1205123282.db2.gz ICUBGJVKQOAZFU-QGZVFWFLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC001733424828 1205129161 /nfs/dbraw/zinc/12/91/61/1205129161.db2.gz GEUCWPSUEBFKSA-KRWDZBQOSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccccc2Cl)C1 ZINC001733464277 1205145503 /nfs/dbraw/zinc/14/55/03/1205145503.db2.gz VUCCSHARXDQDAA-SFHVURJKSA-N 0 3 320.864 3.287 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1CC ZINC001733517881 1205151892 /nfs/dbraw/zinc/15/18/92/1205151892.db2.gz KDAUDCPNKGKDPD-IBGZPJMESA-N 0 3 324.468 3.209 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(C)CC=CC1)c1ccccc1CC ZINC001733518929 1205152887 /nfs/dbraw/zinc/15/28/87/1205152887.db2.gz SFRYQXXEGPNJLJ-IBGZPJMESA-N 0 3 324.468 3.376 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccccc1F ZINC001733568209 1205164758 /nfs/dbraw/zinc/16/47/58/1205164758.db2.gz SQSFCZXSYXOIHA-UHFFFAOYSA-N 0 3 324.399 3.081 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1CC ZINC001733570935 1205165521 /nfs/dbraw/zinc/16/55/21/1205165521.db2.gz GIEGAELUTHYAER-MOPGFXCFSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2CCC(F)(F)F ZINC001733600067 1205170026 /nfs/dbraw/zinc/17/00/26/1205170026.db2.gz QDVZTEOUYZFWRB-KBPBESRZSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC(F)(F)F ZINC001733600719 1205171187 /nfs/dbraw/zinc/17/11/87/1205171187.db2.gz NPRIPPCBQBJPAD-STQMWFEESA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)OCCCCCC)[C@@H]2C1 ZINC001733602157 1205171193 /nfs/dbraw/zinc/17/11/93/1205171193.db2.gz HLMMEFXRZZFONQ-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](CCCC)C(C)C)[C@@H]2C1 ZINC001733606133 1205172308 /nfs/dbraw/zinc/17/23/08/1205172308.db2.gz QOECOBBOILQLQY-IPMKNSEASA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(CC)ccn1 ZINC001733677839 1205182007 /nfs/dbraw/zinc/18/20/07/1205182007.db2.gz TYZQQMPVHMTBLU-UHFFFAOYSA-N 0 3 323.440 3.192 20 30 DGEDHN CC(=O)NCc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC001733681023 1205183595 /nfs/dbraw/zinc/18/35/95/1205183595.db2.gz RRUWQQKDLGQNPG-HNNXBMFYSA-N 0 3 324.399 3.164 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC001733685319 1205184571 /nfs/dbraw/zinc/18/45/71/1205184571.db2.gz XVWBKQCWYHFDFH-XFQXTVEOSA-N 0 3 310.441 3.167 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)c2ccc(C)o2)cc1 ZINC001733685170 1205184653 /nfs/dbraw/zinc/18/46/53/1205184653.db2.gz WBDRYDIEGUTWOR-HZPDHXFCSA-N 0 3 324.424 3.292 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)cc(F)c2)cc1 ZINC001733685091 1205184775 /nfs/dbraw/zinc/18/47/75/1205184775.db2.gz UKWGKAKQZVYTOX-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C2)CC1 ZINC001733694939 1205187738 /nfs/dbraw/zinc/18/77/38/1205187738.db2.gz NIETUIMFQWTWFU-IRXDYDNUSA-N 0 3 318.505 3.252 20 30 DGEDHN CC#CCNC1(CNC(=O)c2oc3ccccc3c2C)CCC1 ZINC001733727603 1205196556 /nfs/dbraw/zinc/19/65/56/1205196556.db2.gz ZEINBZJQONILIQ-UHFFFAOYSA-N 0 3 310.397 3.007 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001733763957 1205203303 /nfs/dbraw/zinc/20/33/03/1205203303.db2.gz OFWZXRLMLYXPLJ-HKUYNNGSSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001733777150 1205212629 /nfs/dbraw/zinc/21/26/29/1205212629.db2.gz FWEYLVARHUMOFS-UHFFFAOYSA-N 0 3 314.473 3.076 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001733778414 1205214878 /nfs/dbraw/zinc/21/48/78/1205214878.db2.gz YHLFUILRQOCOMQ-KRWDZBQOSA-N 0 3 310.457 3.099 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC2CC2)C1 ZINC001733782557 1205217482 /nfs/dbraw/zinc/21/74/82/1205217482.db2.gz KOMUAQFORGVNJY-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC(=C)C ZINC001733809649 1205223744 /nfs/dbraw/zinc/22/37/44/1205223744.db2.gz ZAMXCOIDBQRHDP-IBGZPJMESA-N 0 3 312.457 3.462 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CO[C@H](C)CC)cc2C1 ZINC001733835558 1205227863 /nfs/dbraw/zinc/22/78/63/1205227863.db2.gz FKQRUZFNRCTGHR-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)CCC ZINC001733907732 1205251007 /nfs/dbraw/zinc/25/10/07/1205251007.db2.gz JYWPQOHTYIHQQP-SFHVURJKSA-N 0 3 300.446 3.468 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccccc1F ZINC001733996314 1205282973 /nfs/dbraw/zinc/28/29/73/1205282973.db2.gz OQTYQAZMVRYEFP-UONOGXRCSA-N 0 3 306.425 3.411 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001734039966 1205300571 /nfs/dbraw/zinc/30/05/71/1205300571.db2.gz VCZHGMMSMUEEKW-VGMNTSGFSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001734054449 1205307266 /nfs/dbraw/zinc/30/72/66/1205307266.db2.gz JBXARKSZBZLDQW-UHOFOFEASA-N 0 3 306.837 3.066 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001734102832 1205323928 /nfs/dbraw/zinc/32/39/28/1205323928.db2.gz CRQQZRRMJNYWIR-NVXWUHKLSA-N 0 3 318.486 3.236 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001734102834 1205324373 /nfs/dbraw/zinc/32/43/73/1205324373.db2.gz CRQQZRRMJNYWIR-WBVHZDCISA-N 0 3 318.486 3.236 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001734107093 1205325828 /nfs/dbraw/zinc/32/58/28/1205325828.db2.gz VMQNUSFUFSGCMR-IRXDYDNUSA-N 0 3 316.445 3.076 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001734249402 1205349089 /nfs/dbraw/zinc/34/90/89/1205349089.db2.gz FIAYMJIRSSGKAG-OAHLLOKOSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC001734259818 1205350580 /nfs/dbraw/zinc/35/05/80/1205350580.db2.gz JFAOMCKTJWEOHU-ZIAGYGMSSA-N 0 3 300.874 3.440 20 30 DGEDHN CC(C)CCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001734311805 1205362044 /nfs/dbraw/zinc/36/20/44/1205362044.db2.gz CRIDBTDYWXXKPA-AWEZNQCLSA-N 0 3 319.424 3.070 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccccc1CC(C)(C)C ZINC001734329045 1205365594 /nfs/dbraw/zinc/36/55/94/1205365594.db2.gz BXQWYHZSCGGSNO-INIZCTEOSA-N 0 3 314.473 3.349 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001734347386 1205368827 /nfs/dbraw/zinc/36/88/27/1205368827.db2.gz QCQDSHCRMMPQHZ-HKUYNNGSSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](CC)Cc1ccccc1C ZINC001734352260 1205370115 /nfs/dbraw/zinc/37/01/15/1205370115.db2.gz ZWGUCFZSKRGMDN-MSOLQXFVSA-N 0 3 314.473 3.024 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ncccc2C)[C@@H]1C ZINC001734396096 1205372152 /nfs/dbraw/zinc/37/21/52/1205372152.db2.gz PZVPMMSCOGDVAK-JKSUJKDBSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C[C@H]1CCCCO1)C(C)C ZINC001734551917 1205391788 /nfs/dbraw/zinc/39/17/88/1205391788.db2.gz SWWALJJDJJVWRT-QGZVFWFLSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001734571611 1205397771 /nfs/dbraw/zinc/39/77/71/1205397771.db2.gz WTURYTXCXAZCFG-INIZCTEOSA-N 0 3 317.477 3.304 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CC2CCCCCC2)CC1 ZINC001734580497 1205399925 /nfs/dbraw/zinc/39/99/25/1205399925.db2.gz WDRGLYRLOYPOQJ-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2occc2Cl)c(F)c1 ZINC001734642344 1205408862 /nfs/dbraw/zinc/40/88/62/1205408862.db2.gz QCCJBDMHZMAJNZ-UHFFFAOYSA-N 0 3 322.767 3.278 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001666967585 1197302451 /nfs/dbraw/zinc/30/24/51/1197302451.db2.gz RJMUMTYIUJJTKK-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1c(C)noc1C)C(C)C ZINC001667464166 1197351199 /nfs/dbraw/zinc/35/11/99/1197351199.db2.gz LSWDFTYWPXFYDN-MRXNPFEDSA-N 0 3 321.465 3.124 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CN(CC[C@H](C)F)CCC1(F)F ZINC001671969027 1197588688 /nfs/dbraw/zinc/58/86/88/1197588688.db2.gz QZDYDTBUGTYLGW-KBPBESRZSA-N 0 3 320.399 3.164 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1cccc(Cl)c1 ZINC001635753292 1194569656 /nfs/dbraw/zinc/56/96/56/1194569656.db2.gz PPZMITCYSJSIPQ-UHFFFAOYSA-N 0 3 324.852 3.075 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC001635757521 1194570347 /nfs/dbraw/zinc/57/03/47/1194570347.db2.gz AMHKDXWOFRZKAC-SQNIBIBYSA-N 0 3 324.509 3.327 20 30 DGEDHN N#Cc1ccc2cc(N3CCCc4ccc(CN)nc43)ccc2n1 ZINC001169591469 1081599850 /nfs/dbraw/zinc/59/98/50/1081599850.db2.gz XJVYTGGSGSCAAC-UHFFFAOYSA-N 0 3 315.380 3.044 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001211502112 1081632345 /nfs/dbraw/zinc/63/23/45/1081632345.db2.gz TWWTXKKRWVQJGQ-RHSMWYFYSA-N 0 3 320.502 3.392 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1nc(C)cs1 ZINC001169706523 1081634925 /nfs/dbraw/zinc/63/49/25/1081634925.db2.gz SNNPBBSIIJXLOD-ZDUSSCGKSA-N 0 3 309.479 3.182 20 30 DGEDHN C=CC[C@@H](Nc1cccc(CN(CC)CC)c1F)C(=O)OC ZINC001169845499 1081662375 /nfs/dbraw/zinc/66/23/75/1081662375.db2.gz VCYQVTKYNXGLGP-OAHLLOKOSA-N 0 3 308.397 3.197 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001266322452 1081665215 /nfs/dbraw/zinc/66/52/15/1081665215.db2.gz HRGYLPPMUSDXJV-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN N#Cc1ccc(CCN2CCC(Oc3ccccn3)CC2)cc1 ZINC001208925994 1081668267 /nfs/dbraw/zinc/66/82/67/1081668267.db2.gz CQMFYUAZKMJBMA-UHFFFAOYSA-N 0 3 307.397 3.039 20 30 DGEDHN Cc1ccc(CN2CCN(CCc3ccc(C#N)cc3)CC2)cc1 ZINC001208925966 1081668603 /nfs/dbraw/zinc/66/86/03/1081668603.db2.gz AFFYDLOVYHSLLZ-UHFFFAOYSA-N 0 3 319.452 3.227 20 30 DGEDHN C=CCN(Cc1ccccc1)C1CCC(S(C)(=O)=O)CC1 ZINC001169892741 1081678421 /nfs/dbraw/zinc/67/84/21/1081678421.db2.gz REGUSWIBBPXAKH-UHFFFAOYSA-N 0 3 307.459 3.030 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001266339011 1081679669 /nfs/dbraw/zinc/67/96/69/1081679669.db2.gz HRZFDTXJXRCGAL-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@H](CC)OC)C2)CCCCC1 ZINC001266361430 1081701401 /nfs/dbraw/zinc/70/14/01/1081701401.db2.gz MVTBHWJENRXKCY-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CCC(C)(C)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001266427111 1081789534 /nfs/dbraw/zinc/78/95/34/1081789534.db2.gz UTIYVTLDYQTDAG-OAHLLOKOSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001167193249 1081796044 /nfs/dbraw/zinc/79/60/44/1081796044.db2.gz RDBSMQLSQQKZQW-UHFFFAOYSA-N 0 3 318.804 3.409 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccsc1C(F)(F)F ZINC001266431917 1081799060 /nfs/dbraw/zinc/79/90/60/1081799060.db2.gz OJZSDQMBCMLADU-UHFFFAOYSA-N 0 3 306.353 3.005 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001111548362 1081816346 /nfs/dbraw/zinc/81/63/46/1081816346.db2.gz APHRKXMEJZUWLU-QGZVFWFLSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C\Cc1ccccc1)C2 ZINC001109424067 1081830338 /nfs/dbraw/zinc/83/03/38/1081830338.db2.gz NYMPRHMYVPNNAK-HPMXEOQNSA-N 0 3 324.468 3.473 20 30 DGEDHN CC(C)CCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001167239102 1081836787 /nfs/dbraw/zinc/83/67/87/1081836787.db2.gz NZUAJTZUGNFWAP-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(OC)cc1 ZINC001266464717 1081860815 /nfs/dbraw/zinc/86/08/15/1081860815.db2.gz GLMYKSFMCJEOHN-KRWDZBQOSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN1CCc1ccccc1F ZINC001266479890 1081882650 /nfs/dbraw/zinc/88/26/50/1081882650.db2.gz FOECHMVADSXTFI-QGZVFWFLSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001266491273 1081891679 /nfs/dbraw/zinc/89/16/79/1081891679.db2.gz JHMGOZIUZGFKED-VXIBKDFQSA-N 0 3 302.462 3.373 20 30 DGEDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001167283416 1081899480 /nfs/dbraw/zinc/89/94/80/1081899480.db2.gz FKRIHVBZUFWAGZ-HXUWFJFHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCC(C)C)C[C@H](C)O2 ZINC001111550935 1081902173 /nfs/dbraw/zinc/90/21/73/1081902173.db2.gz OCAPTKBIONNNFF-KRWDZBQOSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001109758876 1081909397 /nfs/dbraw/zinc/90/93/97/1081909397.db2.gz DZBFTHPCRCCGOW-YVSFHVDLSA-N 0 3 304.478 3.194 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)C2 ZINC001109834009 1081922916 /nfs/dbraw/zinc/92/29/16/1081922916.db2.gz FWXYBFBJDVVEAL-YSHGAJCASA-N 0 3 316.489 3.338 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001266521064 1081939080 /nfs/dbraw/zinc/93/90/80/1081939080.db2.gz ZGFHIIUDEZAKGW-ZJRDLVKKSA-N 0 3 324.468 3.032 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001266522582 1081942002 /nfs/dbraw/zinc/94/20/02/1081942002.db2.gz PVHIMLAAPHOKHG-ZFWWWQNUSA-N 0 3 320.383 3.020 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266525101 1081945595 /nfs/dbraw/zinc/94/55/95/1081945595.db2.gz CQTPVDMEFDXTGT-OZLDOMPNSA-N 0 3 323.440 3.019 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001086539672 1081965734 /nfs/dbraw/zinc/96/57/34/1081965734.db2.gz RYWMENBRRXNACW-YEORSEQZSA-N 0 3 313.228 3.191 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001157190816 1081986405 /nfs/dbraw/zinc/98/64/05/1081986405.db2.gz SPKZAASVRZXCSA-MJGOQNOKSA-N 0 3 304.478 3.363 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001086558479 1082002557 /nfs/dbraw/zinc/00/25/57/1082002557.db2.gz SRMFIVJYMLAUGN-NQBOGQKCSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001086559638 1082010393 /nfs/dbraw/zinc/01/03/93/1082010393.db2.gz GCAJIMDUOMRXIX-CTYIDZIISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001086562030 1082021447 /nfs/dbraw/zinc/02/14/47/1082021447.db2.gz XBFZYFNLEGFBTL-JOCQHMNTSA-N 0 3 310.825 3.254 20 30 DGEDHN C#CCCCC(=O)NCCN(Cc1cc(C)ccc1C)C1CC1 ZINC001266590813 1082041950 /nfs/dbraw/zinc/04/19/50/1082041950.db2.gz QMPBHLXDFWTOJI-UHFFFAOYSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN(CCNC(=O)c1coc2ccc(CC)cc12)C1CC1 ZINC001266592015 1082043145 /nfs/dbraw/zinc/04/31/45/1082043145.db2.gz FSTMDEDJTNFEMX-UHFFFAOYSA-N 0 3 312.413 3.375 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C)c(Cl)c1F)C1CC1 ZINC001266602692 1082052157 /nfs/dbraw/zinc/05/21/57/1082052157.db2.gz PKPMAWJQSDURCN-UHFFFAOYSA-N 0 3 310.800 3.168 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001112938549 1082056611 /nfs/dbraw/zinc/05/66/11/1082056611.db2.gz MNKFMOVTJDYRKG-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1 ZINC001113073808 1082108409 /nfs/dbraw/zinc/10/84/09/1082108409.db2.gz JKJBBDSSUQRJJQ-OAHLLOKOSA-N 0 3 311.429 3.280 20 30 DGEDHN C#CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001266648115 1082111592 /nfs/dbraw/zinc/11/15/92/1082111592.db2.gz NACSRXWVTNDGOG-HXGNYLIQSA-N 0 3 308.853 3.044 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC001113172850 1082132671 /nfs/dbraw/zinc/13/26/71/1082132671.db2.gz UWPGWDSLCOXNPV-MRXNPFEDSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001283091804 1082166988 /nfs/dbraw/zinc/16/69/88/1082166988.db2.gz LVSDSRFSDYQLME-DTZQCDIJSA-N 0 3 310.869 3.050 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC001113294621 1082168498 /nfs/dbraw/zinc/16/84/98/1082168498.db2.gz GRSKHZVLDKZUTO-GOSISDBHSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001266763569 1082201233 /nfs/dbraw/zinc/20/12/33/1082201233.db2.gz FZEZJVSIYFGSBR-QGZVFWFLSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCN1CCOc1ccccc1 ZINC001266836831 1082255154 /nfs/dbraw/zinc/25/51/54/1082255154.db2.gz DOZJRQNEXYCDOE-QGZVFWFLSA-N 0 3 316.445 3.002 20 30 DGEDHN CCC(CC)CN1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113668453 1082274607 /nfs/dbraw/zinc/27/46/07/1082274607.db2.gz IZFVOTYGJLCSIR-UHFFFAOYSA-N 0 3 312.457 3.009 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CCOC)CCCCC1 ZINC001266858789 1082275875 /nfs/dbraw/zinc/27/58/75/1082275875.db2.gz HQJUABXWWFYRQG-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC(C2CC2)C2CC2)CC1 ZINC001113689155 1082282785 /nfs/dbraw/zinc/28/27/85/1082282785.db2.gz BZQIEYBQUTXWMP-OAHLLOKOSA-N 0 3 304.478 3.312 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2c(C)cccc2C)cc1 ZINC001480900826 1082329896 /nfs/dbraw/zinc/32/98/96/1082329896.db2.gz RRCZGLGUZRUWLF-UHFFFAOYSA-N 0 3 320.436 3.147 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCNCc1cccc(Cl)c1F ZINC001157719053 1082352653 /nfs/dbraw/zinc/35/26/53/1082352653.db2.gz PSLYFEJTONPVCB-UHFFFAOYSA-N 0 3 324.827 3.125 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C(F)F)c(F)c1 ZINC001480912111 1082433227 /nfs/dbraw/zinc/43/32/27/1082433227.db2.gz STAZENRCZNOKKH-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC001267082672 1082488002 /nfs/dbraw/zinc/48/80/02/1082488002.db2.gz SFKAPGWXTPDMGE-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1csc(C)c1C ZINC001267130872 1082548409 /nfs/dbraw/zinc/54/84/09/1082548409.db2.gz NXJFVMFVDAFHSA-SNVBAGLBSA-N 0 3 300.855 3.215 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(CC)s1 ZINC001267137457 1082554139 /nfs/dbraw/zinc/55/41/39/1082554139.db2.gz DZSXHJVPYHOKLD-LLVKDONJSA-N 0 3 300.855 3.161 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001086633660 1082567428 /nfs/dbraw/zinc/56/74/28/1082567428.db2.gz DZLSLJQXLJTZSE-QWHCGFSZSA-N 0 3 312.866 3.297 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(Cl)cn1CC ZINC001267156804 1082576711 /nfs/dbraw/zinc/57/67/11/1082576711.db2.gz CXDPMDQYOIONQB-NSHDSACASA-N 0 3 318.248 3.012 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001267192211 1082620402 /nfs/dbraw/zinc/62/04/02/1082620402.db2.gz KNJTZQHTASQISA-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN Cn1cccc1[C@@H]1CCCCN1C[C@H](O)c1cccc(C#N)c1 ZINC001167633980 1082628193 /nfs/dbraw/zinc/62/81/93/1082628193.db2.gz HBHUPCKKXCJTKT-OALUTQOASA-N 0 3 309.413 3.157 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001267210979 1082643074 /nfs/dbraw/zinc/64/30/74/1082643074.db2.gz QRHIMQYNPSXULD-OAHLLOKOSA-N 0 3 318.461 3.407 20 30 DGEDHN N#Cc1ccc(CNCCNC(=O)C2CCCCCCC2)cc1 ZINC001131146072 1082648146 /nfs/dbraw/zinc/64/81/46/1082648146.db2.gz YBDNZKFYXZJSKP-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@H](C)O2 ZINC001131666937 1082700842 /nfs/dbraw/zinc/70/08/42/1082700842.db2.gz VQFVXNNBAJVBER-LPHOPBHVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@@H](C)O2 ZINC001131688171 1082703956 /nfs/dbraw/zinc/70/39/56/1082703956.db2.gz HTGYMDQWPAZISS-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001131839009 1082746328 /nfs/dbraw/zinc/74/63/28/1082746328.db2.gz MIBILSUTBVNCQS-GJZGRUSLSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2c(C)nsc2C)C1 ZINC001267300089 1082763589 /nfs/dbraw/zinc/76/35/89/1082763589.db2.gz KLIGVJYGMVMXGB-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN Cc1ccccc1CN1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018688 1082797239 /nfs/dbraw/zinc/79/72/39/1082797239.db2.gz YSRYGRMAIFNPKB-IEBWSBKVSA-N 0 3 312.457 3.124 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC001132033278 1082797804 /nfs/dbraw/zinc/79/78/04/1082797804.db2.gz CWHAGDXNLRVTEH-AEFFLSMTSA-N 0 3 312.457 3.205 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)c(C)c1 ZINC001132033645 1082798092 /nfs/dbraw/zinc/79/80/92/1082798092.db2.gz JEARVUJTAWWXOS-YLJYHZDGSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CC2(C)CCCC2)CC[C@@H]1C ZINC001132038047 1082798949 /nfs/dbraw/zinc/79/89/49/1082798949.db2.gz MUHZBZFFXJXZCO-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN CCc1cccc(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c1 ZINC001132046576 1082805875 /nfs/dbraw/zinc/80/58/75/1082805875.db2.gz PUKLNRBDQFFHNQ-JXFKEZNVSA-N 0 3 324.468 3.132 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001132068796 1082807444 /nfs/dbraw/zinc/80/74/44/1082807444.db2.gz JSCPRSWGVGSAIC-GJZGRUSLSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(F)ccc1Cl)C1CC1 ZINC001267333972 1082810111 /nfs/dbraw/zinc/81/01/11/1082810111.db2.gz SLDQCTCTJYWREX-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132095449 1082816374 /nfs/dbraw/zinc/81/63/74/1082816374.db2.gz YFJJBMVGRUENHV-QWHCGFSZSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC2(c3ccccc3)CC2)CC[C@@H]1C ZINC001132090354 1082818580 /nfs/dbraw/zinc/81/85/80/1082818580.db2.gz GTIALYRPGGROHU-FUHWJXTLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@H]1C ZINC001132132403 1082825426 /nfs/dbraw/zinc/82/54/26/1082825426.db2.gz QLJKZBSPGVADHI-CHWSQXEVSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001267362067 1082833000 /nfs/dbraw/zinc/83/30/00/1082833000.db2.gz NWDKPARRUKLRND-ZBFHGGJFSA-N 0 3 322.399 3.445 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@]1(C)CC=CCC1)c1ccccc1 ZINC001267362750 1082833805 /nfs/dbraw/zinc/83/38/05/1082833805.db2.gz VNJXWFHSVOPDMG-AZUAARDMSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)cc2C)CC[C@@H]1C ZINC001132207357 1082839794 /nfs/dbraw/zinc/83/97/94/1082839794.db2.gz TXAAIACVYYGPDM-PKOBYXMFSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@H](C)C(F)(F)F)c1ccccc1 ZINC001267370940 1082840189 /nfs/dbraw/zinc/84/01/89/1082840189.db2.gz UNSBTJXLQWGUHQ-JSGCOSHPSA-N 0 3 314.351 3.208 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc[nH]c1CCC)c1ccccc1 ZINC001267371063 1082840442 /nfs/dbraw/zinc/84/04/42/1082840442.db2.gz WCTRIVHVMVPMNT-GOSISDBHSA-N 0 3 311.429 3.214 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132217651 1082844229 /nfs/dbraw/zinc/84/42/29/1082844229.db2.gz FHQSTVBGDKKUHI-IRXDYDNUSA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC001267377200 1082846918 /nfs/dbraw/zinc/84/69/18/1082846918.db2.gz NQJJELJLDKAQLJ-SJLPKXTDSA-N 0 3 324.424 3.162 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOCCC(C)C)C1 ZINC001132228824 1082850765 /nfs/dbraw/zinc/85/07/65/1082850765.db2.gz WVDICRHXLCSOAM-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2(C)CCCCC2)CC[C@@H]1C ZINC001132265836 1082862514 /nfs/dbraw/zinc/86/25/14/1082862514.db2.gz UDEBGQCXJIYTAZ-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132255608 1082864588 /nfs/dbraw/zinc/86/45/88/1082864588.db2.gz BVWKNDJNSFXISP-AEFFLSMTSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)s1 ZINC001283582052 1082866669 /nfs/dbraw/zinc/86/66/69/1082866669.db2.gz KOXJOESBDGECGX-NSHDSACASA-N 0 3 300.855 3.304 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC/C=C/CC)C1 ZINC001267422346 1082876754 /nfs/dbraw/zinc/87/67/54/1082876754.db2.gz BDTLDRGKYMIBIY-WZDWLKHJSA-N 0 3 302.462 3.374 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132323036 1082885253 /nfs/dbraw/zinc/88/52/53/1082885253.db2.gz XDQZMMVQUHOJFA-STQMWFEESA-N 0 3 306.372 3.264 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1C ZINC001104518649 1082894480 /nfs/dbraw/zinc/89/44/80/1082894480.db2.gz ZNPKUKJMWMFJJR-UNEWFSDZSA-N 0 3 310.869 3.169 20 30 DGEDHN C#CCCCCCC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001132407917 1082902633 /nfs/dbraw/zinc/90/26/33/1082902633.db2.gz UHRKBNRXYWYWHI-AWEZNQCLSA-N 0 3 322.399 3.315 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(C)(C)[C@H]21 ZINC001087262652 1082903381 /nfs/dbraw/zinc/90/33/81/1082903381.db2.gz GQKYAJKAYBEUPJ-QYZOEREBSA-N 0 3 324.468 3.237 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cc(C)cc(C)c2)CC[C@@H]1C ZINC001132410685 1082904701 /nfs/dbraw/zinc/90/47/01/1082904701.db2.gz MUVJCAHAAUANLY-PKOBYXMFSA-N 0 3 314.473 3.391 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCCCCC)CC[C@@H]1C ZINC001132459669 1082915822 /nfs/dbraw/zinc/91/58/22/1082915822.db2.gz CPNXICCDALMTQZ-IRXDYDNUSA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCOc2ccccc2)CC[C@H]1C ZINC001132464227 1082917968 /nfs/dbraw/zinc/91/79/68/1082917968.db2.gz PHGGZPWVLBEMEV-IAGOWNOFSA-N 0 3 316.445 3.001 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2F)CC[C@@H]1C ZINC001132481387 1082922014 /nfs/dbraw/zinc/92/20/14/1082922014.db2.gz FBLPRCFRBJQRBP-DOTOQJQBSA-N 0 3 318.436 3.304 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001267475853 1082929611 /nfs/dbraw/zinc/92/96/11/1082929611.db2.gz QOUJTTZRNRGHDT-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001111930553 1082930437 /nfs/dbraw/zinc/93/04/37/1082930437.db2.gz ZILPESBYOAWKMA-AOIWGVFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C(C)=C3CCCC3)C(C)(C)[C@@H]21 ZINC001087280608 1082934782 /nfs/dbraw/zinc/93/47/82/1082934782.db2.gz RNZKSDZMYXFLKC-KZNAEPCWSA-N 0 3 314.473 3.115 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCCF)C2)CCCC1 ZINC001132545407 1082939222 /nfs/dbraw/zinc/93/92/22/1082939222.db2.gz BCBRWCYGKGGQEK-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001267482643 1082939302 /nfs/dbraw/zinc/93/93/02/1082939302.db2.gz MLPLNTZLOFGYNP-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)CCCC1 ZINC001132545409 1082939512 /nfs/dbraw/zinc/93/95/12/1082939512.db2.gz BCBRWCYGKGGQEK-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](OC)C2CCCC2)C1 ZINC001267489147 1082945899 /nfs/dbraw/zinc/94/58/99/1082945899.db2.gz VKKVDSAWHHUSMD-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@H](C)N[C@H](C)c1ccccc1Cl ZINC001283607847 1082947211 /nfs/dbraw/zinc/94/72/11/1082947211.db2.gz KNXCYAGKHIKCLZ-LSDHHAIUSA-N 0 3 320.864 3.497 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(C=C)cc1 ZINC001087304884 1082976102 /nfs/dbraw/zinc/97/61/02/1082976102.db2.gz JAHFHDCLRJDXKI-CEXWTWQISA-N 0 3 322.452 3.182 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccoc1Cl)c1ccccc1 ZINC001267518685 1082978281 /nfs/dbraw/zinc/97/82/81/1082978281.db2.gz ADVQPVQTTKUXMM-OAHLLOKOSA-N 0 3 316.788 3.017 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc2c(o1)CCCC2)c1ccccc1 ZINC001267521826 1082981709 /nfs/dbraw/zinc/98/17/09/1082981709.db2.gz WFOSZIDPVZQKSK-KRWDZBQOSA-N 0 3 324.424 3.405 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](C)[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001132696226 1082983158 /nfs/dbraw/zinc/98/31/58/1082983158.db2.gz ICZLZZGVXCYFGO-CRFVKXMPSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)c1cccs1)c1ccccc1 ZINC001267523473 1082984159 /nfs/dbraw/zinc/98/41/59/1082984159.db2.gz UXLQGJIJLCRREX-ZBFHGGJFSA-N 0 3 314.454 3.485 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)cc3C)C(C)(C)[C@H]21 ZINC001087315550 1082987670 /nfs/dbraw/zinc/98/76/70/1082987670.db2.gz DOLBZRROZAPRIN-QRVBRYPASA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(F)c1 ZINC001283663288 1083047710 /nfs/dbraw/zinc/04/77/10/1083047710.db2.gz BJTLXFFTZUPFRS-ZDUSSCGKSA-N 0 3 310.388 3.258 20 30 DGEDHN COC[C@@]12CCC[C@@H]1CN(Cc1cccc(C#N)c1Cl)C2 ZINC001140813398 1083076545 /nfs/dbraw/zinc/07/65/45/1083076545.db2.gz HIWMYPCXISXNLR-WBVHZDCISA-N 0 3 304.821 3.460 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1CC[C@H]1CC1(Cl)Cl ZINC001481031277 1083105903 /nfs/dbraw/zinc/10/59/03/1083105903.db2.gz VPJMCGMCDKLNNJ-QWHCGFSZSA-N 0 3 319.276 3.117 20 30 DGEDHN C=CCCC1(C(=O)NCCNCc2ccc(Cl)c(F)c2)CC1 ZINC001133375788 1083106419 /nfs/dbraw/zinc/10/64/19/1083106419.db2.gz IXRQCFGPSXUJGS-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=C1CCC(C(=O)NCCNCc2ccc(C)c(F)c2)CC1 ZINC001133365537 1083106521 /nfs/dbraw/zinc/10/65/21/1083106521.db2.gz VVQPLXKMYBWLRT-UHFFFAOYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCC1(C(=O)NCCNCc2ccc(C)c(F)c2)CC1 ZINC001133374021 1083108496 /nfs/dbraw/zinc/10/84/96/1083108496.db2.gz NBHLEXFPVJLVNC-UHFFFAOYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1C ZINC001104559198 1083108959 /nfs/dbraw/zinc/10/89/59/1083108959.db2.gz MYIXUVYZXPHUJC-BPLDGKMQSA-N 0 3 312.885 3.249 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)F ZINC001133382767 1083111630 /nfs/dbraw/zinc/11/16/30/1083111630.db2.gz ZBYJXLBHKOAPSG-UHFFFAOYSA-N 0 3 324.827 3.030 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccnc(CC#N)c1 ZINC001170685889 1083119771 /nfs/dbraw/zinc/11/97/71/1083119771.db2.gz JHJDGGREBBQEBC-ZDUSSCGKSA-N 0 3 303.369 3.020 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001112001455 1083154358 /nfs/dbraw/zinc/15/43/58/1083154358.db2.gz YEKORPKFKINSRE-BJLQDIEVSA-N 0 3 310.441 3.113 20 30 DGEDHN CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133708862 1083177715 /nfs/dbraw/zinc/17/77/15/1083177715.db2.gz ZSUXIMQPNDNKMA-KGLIPLIRSA-N 0 3 319.424 3.260 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)C(CC)CC ZINC001133769568 1083194367 /nfs/dbraw/zinc/19/43/67/1083194367.db2.gz QVWKFGDYEHBMDH-VXGBXAGGSA-N 0 3 319.287 3.204 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001133884461 1083206093 /nfs/dbraw/zinc/20/60/93/1083206093.db2.gz PTQCOTLFPLXXLT-RYUDHWBXSA-N 0 3 309.479 3.099 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(CCC)nc1C ZINC001133888286 1083207571 /nfs/dbraw/zinc/20/75/71/1083207571.db2.gz HWYDQAZDFQWHCJ-KGLIPLIRSA-N 0 3 321.465 3.275 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1sccc1C1CC1 ZINC001481153040 1083214853 /nfs/dbraw/zinc/21/48/53/1083214853.db2.gz PODVNEXQVBAWEP-UHFFFAOYSA-N 0 3 304.459 3.091 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001134047636 1083231713 /nfs/dbraw/zinc/23/17/13/1083231713.db2.gz PVOVBWJPVXELJX-KDHQJITESA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1[nH]ccc1-c1ccccc1)C1CC1 ZINC001481194651 1083237198 /nfs/dbraw/zinc/23/71/98/1083237198.db2.gz PAMZRYMFXVPHNW-UHFFFAOYSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCN(CCNC(=O)C1CC(c2ccc(F)cc2)C1)C1CC1 ZINC001481199159 1083241019 /nfs/dbraw/zinc/24/10/19/1083241019.db2.gz GOWPTLNXWDKIEZ-UHFFFAOYSA-N 0 3 316.420 3.086 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001112031381 1083246098 /nfs/dbraw/zinc/24/60/98/1083246098.db2.gz HTVJYMQIMVCFAY-ZVEYMXKSSA-N 0 3 322.452 3.002 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001167717973 1083250126 /nfs/dbraw/zinc/25/01/26/1083250126.db2.gz IJEPOPIKQVFXGD-QGZVFWFLSA-N 0 3 322.880 3.412 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001267700280 1083271868 /nfs/dbraw/zinc/27/18/68/1083271868.db2.gz LYCGJQOGUXIJEL-ROUUACIJSA-N 0 3 316.420 3.471 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCCC1 ZINC001267714019 1083277758 /nfs/dbraw/zinc/27/77/58/1083277758.db2.gz UZWMVRXCMBENOA-JYJNAYRXSA-N 0 3 308.441 3.299 20 30 DGEDHN C=CCCC(=O)N(Cc1ccccc1)[C@H]1CCCN(CC)C1 ZINC001267714534 1083279307 /nfs/dbraw/zinc/27/93/07/1083279307.db2.gz KAACOJKFRKFAER-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001267717528 1083280676 /nfs/dbraw/zinc/28/06/76/1083280676.db2.gz YCDVFUAPABWRQR-PVAVHDDUSA-N 0 3 323.440 3.421 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134458192 1083295757 /nfs/dbraw/zinc/29/57/57/1083295757.db2.gz YUCNFPRLEPRXFB-CHWSQXEVSA-N 0 3 323.506 3.427 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001267743037 1083308497 /nfs/dbraw/zinc/30/84/97/1083308497.db2.gz JLLXAQSGLMGEFW-MRXNPFEDSA-N 0 3 306.475 3.412 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001267749690 1083316810 /nfs/dbraw/zinc/31/68/10/1083316810.db2.gz MTEMLZFRXXTNQG-QZTJIDSGSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001267760580 1083324712 /nfs/dbraw/zinc/32/47/12/1083324712.db2.gz WGKHAVZXQGYTHH-SJLPKXTDSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CCC(C)(C)c2ccccc2)C1 ZINC001267779425 1083341605 /nfs/dbraw/zinc/34/16/05/1083341605.db2.gz QVYDJMKTUYQCPU-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc(F)cc2F)C1 ZINC001267786806 1083347194 /nfs/dbraw/zinc/34/71/94/1083347194.db2.gz PZMUGVKFMCFEKX-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN CCC(CC)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001267798047 1083353469 /nfs/dbraw/zinc/35/34/69/1083353469.db2.gz OSXHMYWQIOLYKJ-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H](C)n2cccc2)CCCC1 ZINC001267845012 1083433993 /nfs/dbraw/zinc/43/39/93/1083433993.db2.gz PUXZGMPTZODDLG-OAHLLOKOSA-N 0 3 323.868 3.210 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(Cl)cc2OC)C1 ZINC001181518106 1083492860 /nfs/dbraw/zinc/49/28/60/1083492860.db2.gz VJGIAAHWEOJTFS-OAHLLOKOSA-N 0 3 322.836 3.005 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2oc(CC)cc2C)CC1 ZINC001167746233 1083544987 /nfs/dbraw/zinc/54/49/87/1083544987.db2.gz ILRRBUAAPQLGIS-UHFFFAOYSA-N 0 3 324.852 3.393 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)on1)C2 ZINC001110261866 1083650430 /nfs/dbraw/zinc/65/04/30/1083650430.db2.gz HELWLNHOGUNAQP-INMHGKMJSA-N 0 3 319.449 3.289 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)CNCc2nc(C)cs2)CCC1 ZINC001268001631 1083723709 /nfs/dbraw/zinc/72/37/09/1083723709.db2.gz GMTNGNNUURUIPX-ZDUSSCGKSA-N 0 3 321.490 3.040 20 30 DGEDHN C=CCC[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C)C2 ZINC001110312198 1083732060 /nfs/dbraw/zinc/73/20/60/1083732060.db2.gz JLFCOMJWZQHEQW-NGFQHRJXSA-N 0 3 319.474 3.141 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1CCc2ccc(F)cc21 ZINC001182592721 1083759239 /nfs/dbraw/zinc/75/92/39/1083759239.db2.gz HHEDBTHTWAGAIA-RDJZCZTQSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CC(C)(C)C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001182636026 1083763610 /nfs/dbraw/zinc/76/36/10/1083763610.db2.gz IWMPRXDQPOKOHD-WMZOPIPTSA-N 0 3 312.457 3.015 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151259193 1083773972 /nfs/dbraw/zinc/77/39/72/1083773972.db2.gz GNKWOUUAPDURCM-QGZVFWFLSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 ZINC001481374335 1083835306 /nfs/dbraw/zinc/83/53/06/1083835306.db2.gz MDTFGAQZCMMHEN-VHZYLWGESA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cc(C)c(C)o2)C1 ZINC001481396258 1083859467 /nfs/dbraw/zinc/85/94/67/1083859467.db2.gz PYPURVCNOXTORF-INIZCTEOSA-N 0 3 304.434 3.399 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C)c(C)o2)C1 ZINC001481396261 1083860248 /nfs/dbraw/zinc/86/02/48/1083860248.db2.gz PYPURVCNOXTORF-MRXNPFEDSA-N 0 3 304.434 3.399 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2coc(C3CC3)n2)C1 ZINC001481405863 1083875756 /nfs/dbraw/zinc/87/57/56/1083875756.db2.gz CPYTXHBWOPOQNS-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C[C@@H](C#N)C(=O)NCC1(N[C@@H](C)c2ccccc2F)CCCC1 ZINC001268032154 1083909314 /nfs/dbraw/zinc/90/93/14/1083909314.db2.gz RYRSWKDGXYFPAJ-KBPBESRZSA-N 0 3 317.408 3.065 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)CC2CC2)C1 ZINC001481509944 1084038164 /nfs/dbraw/zinc/03/81/64/1084038164.db2.gz STTJWEIVQQQABM-FQEVSTJZSA-N 0 3 324.468 3.303 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001268055916 1084050879 /nfs/dbraw/zinc/05/08/79/1084050879.db2.gz QGGAGNRUMGMXLX-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268056658 1084052996 /nfs/dbraw/zinc/05/29/96/1084052996.db2.gz UOVXQGHTVQECEZ-HZPDHXFCSA-N 0 3 318.436 3.050 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001481524287 1084069467 /nfs/dbraw/zinc/06/94/67/1084069467.db2.gz HPSDYDMWVPCJNC-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](CC)CCC)C[C@H]1c1ccccc1 ZINC001211698402 1084152686 /nfs/dbraw/zinc/15/26/86/1084152686.db2.gz MGXBNJAQZFHOBK-YTQUADARSA-N 0 3 312.457 3.030 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C1CCC=CCC1 ZINC001268099970 1084168223 /nfs/dbraw/zinc/16/82/23/1084168223.db2.gz JNHPWKFFFSSOGX-GOSISDBHSA-N 0 3 324.468 3.221 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1CN(CC/C=C/c2ccccc2)C1 ZINC001481625038 1084271090 /nfs/dbraw/zinc/27/10/90/1084271090.db2.gz QQZZRZSFURCFCU-YRNVUSSQSA-N 0 3 324.468 3.187 20 30 DGEDHN C[C@@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC001184839325 1084273141 /nfs/dbraw/zinc/27/31/41/1084273141.db2.gz GLQBZVMKDVRRJG-MNOVXSKESA-N 0 3 308.407 3.060 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cscn2)C1 ZINC001268169007 1084274082 /nfs/dbraw/zinc/27/40/82/1084274082.db2.gz ASYMRKHBPXHPIR-AWEZNQCLSA-N 0 3 309.479 3.308 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001268182125 1084295127 /nfs/dbraw/zinc/29/51/27/1084295127.db2.gz UBEJGSHXFSKMDJ-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCCN1CCC[C@@]12CCN(CC(=O)C(C)(C)C)C2=O ZINC001273495284 1084305877 /nfs/dbraw/zinc/30/58/77/1084305877.db2.gz SHBAWMLTGYKMPT-IBGZPJMESA-N 0 3 320.477 3.025 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001185018956 1084312868 /nfs/dbraw/zinc/31/28/68/1084312868.db2.gz DPUJOSMHDSRVKL-QGZVFWFLSA-N 0 3 324.424 3.317 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1C(C)(C)C1(C)C)C(C)C ZINC001268203357 1084318837 /nfs/dbraw/zinc/31/88/37/1084318837.db2.gz CUGCHRGHJUCTNL-LBPRGKRZSA-N 0 3 300.874 3.152 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001185060935 1084324642 /nfs/dbraw/zinc/32/46/42/1084324642.db2.gz JUYUYEXZSHPVKO-CABCVRRESA-N 0 3 321.490 3.074 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001481638806 1084327160 /nfs/dbraw/zinc/32/71/60/1084327160.db2.gz QMWONTRBVFTOBK-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001185063644 1084327272 /nfs/dbraw/zinc/32/72/72/1084327272.db2.gz DUYKPPCMAZZKJT-DZGCQCFKSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001481639717 1084329337 /nfs/dbraw/zinc/32/93/37/1084329337.db2.gz FUXHQIJUTXTTPT-DNVCBOLYSA-N 0 3 312.457 3.324 20 30 DGEDHN CC(C)[C@@H](CNC(=O)[C@]1(C)C=CCC1)NCC#Cc1ccccc1 ZINC001268219152 1084345852 /nfs/dbraw/zinc/34/58/52/1084345852.db2.gz LWBGXMFGJMCSNL-TZIWHRDSSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCC[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2 ZINC001110358490 1084372895 /nfs/dbraw/zinc/37/28/95/1084372895.db2.gz UYKHDFZPHZCNGZ-MYPMTAMASA-N 0 3 319.474 3.141 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCOc1cccc(C)c1C ZINC001268240259 1084388629 /nfs/dbraw/zinc/38/86/29/1084388629.db2.gz VUFLMRQCMAJVJB-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC001268254699 1084416812 /nfs/dbraw/zinc/41/68/12/1084416812.db2.gz XPRFZSXLPSQXSC-UHFFFAOYSA-N 0 3 314.454 3.237 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001268255313 1084418221 /nfs/dbraw/zinc/41/82/21/1084418221.db2.gz XORRULVSPGAGFT-UHFFFAOYSA-N 0 3 312.413 3.077 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CSC ZINC001481668654 1084462414 /nfs/dbraw/zinc/46/24/14/1084462414.db2.gz XCJDOIMPTCGTSJ-JYJNAYRXSA-N 0 3 310.507 3.017 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(F)F ZINC001481674895 1084467455 /nfs/dbraw/zinc/46/74/55/1084467455.db2.gz ZWFPFTTXKDTVHH-SOUVJXGZSA-N 0 3 314.420 3.287 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001481705426 1084495536 /nfs/dbraw/zinc/49/55/36/1084495536.db2.gz GGFSADZGWMYYOZ-QGZVFWFLSA-N 0 3 318.486 3.065 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001279318399 1084529722 /nfs/dbraw/zinc/52/97/22/1084529722.db2.gz MLKKMZZHXOQNGT-PKOBYXMFSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001481741566 1084559546 /nfs/dbraw/zinc/55/95/46/1084559546.db2.gz NXAZWQMYLNSZRI-DLBZAZTESA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001185968346 1084561165 /nfs/dbraw/zinc/56/11/65/1084561165.db2.gz JREIZJPZJGBOQB-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001185968990 1084561558 /nfs/dbraw/zinc/56/15/58/1084561558.db2.gz RWFYVBIZFZWXFJ-CQSZACIVSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC001268424321 1084589378 /nfs/dbraw/zinc/58/93/78/1084589378.db2.gz IUKASXXEFZDGDB-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)/C=C\C(C)(C)C ZINC001268441246 1084600530 /nfs/dbraw/zinc/60/05/30/1084600530.db2.gz WDLKUQXKHPZYOT-KHPPLWFESA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCC)C1 ZINC001186155697 1084603646 /nfs/dbraw/zinc/60/36/46/1084603646.db2.gz IQCFXKXYCMHVAR-SJLPKXTDSA-N 0 3 318.436 3.334 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC001186171027 1084611683 /nfs/dbraw/zinc/61/16/83/1084611683.db2.gz LCBXKSCKHVYFEF-RTBURBONSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2c(F)cccc2F)C1 ZINC001481772332 1084624951 /nfs/dbraw/zinc/62/49/51/1084624951.db2.gz FZXLKSHOKRZIHV-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN CC[C@H](CNC(=O)/C=C\C(C)(C)C)NCc1ccc(C#N)s1 ZINC001481796428 1084643409 /nfs/dbraw/zinc/64/34/09/1084643409.db2.gz CTSSTOYMFQDKHJ-LJTDUEICSA-N 0 3 319.474 3.206 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001481808191 1084645903 /nfs/dbraw/zinc/64/59/03/1084645903.db2.gz MLOVOXUOLSSMRM-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC)C1 ZINC001087451056 1084651639 /nfs/dbraw/zinc/65/16/39/1084651639.db2.gz ZUOZVEFWEZKJGF-IAGOWNOFSA-N 0 3 304.409 3.086 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@H]23)cc1F ZINC001186873099 1084712314 /nfs/dbraw/zinc/71/23/14/1084712314.db2.gz STYCKIQUYUQJQE-DZGCQCFKSA-N 0 3 318.352 3.034 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)c(CCC)c2)C1 ZINC001187076726 1084754215 /nfs/dbraw/zinc/75/42/15/1084754215.db2.gz BEXKXZVAMPQZKJ-MRXNPFEDSA-N 0 3 318.848 3.120 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CCNCc2nccs2)CC1 ZINC001481999742 1084759317 /nfs/dbraw/zinc/75/93/17/1084759317.db2.gz SQTHAANCUONSLA-UHFFFAOYSA-N 0 3 321.490 3.218 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001482031855 1084782383 /nfs/dbraw/zinc/78/23/83/1084782383.db2.gz CWBRSYWNAJGHFK-ACDBMABISA-N 0 3 324.468 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CC(CC)CC)cc1 ZINC001482033758 1084784510 /nfs/dbraw/zinc/78/45/10/1084784510.db2.gz OHDQLGKRVZMCJD-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001268581132 1084847546 /nfs/dbraw/zinc/84/75/46/1084847546.db2.gz VIXQQGZSBBEKJR-BQYQJAHWSA-N 0 3 316.420 3.090 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268707566 1084961762 /nfs/dbraw/zinc/96/17/62/1084961762.db2.gz GHPDIHXIEOKLDD-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C[C@H](CN(C)[C@H](C)c1cccc(Cl)c1)NC(=O)C#CC1CC1 ZINC001268730490 1084991327 /nfs/dbraw/zinc/99/13/27/1084991327.db2.gz PIZVAXBDCBFEJD-ZIAGYGMSSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)CCc1scnc1C ZINC001268732111 1084998541 /nfs/dbraw/zinc/99/85/41/1084998541.db2.gz FSFWRGZBGKMGOX-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001268748357 1085013641 /nfs/dbraw/zinc/01/36/41/1085013641.db2.gz YHAFIGJHARINSB-HOTGVXAUSA-N 0 3 302.462 3.365 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1nc(C)c(C)s1 ZINC001268813166 1085060839 /nfs/dbraw/zinc/06/08/39/1085060839.db2.gz OXUUSTDYFNPINB-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C[C@H](C#N)C(=O)NCC1CN([C@H](C)c2ccc3ccccc3c2)C1 ZINC001268813746 1085060996 /nfs/dbraw/zinc/06/09/96/1085060996.db2.gz FWQMBRPSPHFDIB-HUUCEWRRSA-N 0 3 321.424 3.108 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001268858698 1085069058 /nfs/dbraw/zinc/06/90/58/1085069058.db2.gz PBQLWENYOLFOKT-HNNXBMFYSA-N 0 3 300.446 3.316 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001268861082 1085069492 /nfs/dbraw/zinc/06/94/92/1085069492.db2.gz OORVHMMRHKSWAQ-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(CCCc3ccsc3)C2)C1 ZINC001268879480 1085073849 /nfs/dbraw/zinc/07/38/49/1085073849.db2.gz RIJMMCNHQVZUFA-UHFFFAOYSA-N 0 3 318.486 3.085 20 30 DGEDHN C#CCC1(C(=O)NCC2CN(CCCCCF)C2)CCCCC1 ZINC001268917421 1085081548 /nfs/dbraw/zinc/08/15/48/1085081548.db2.gz TVYVTYCENPQRFB-UHFFFAOYSA-N 0 3 322.468 3.148 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001268978667 1085093200 /nfs/dbraw/zinc/09/32/00/1085093200.db2.gz FPZWRCWEDVEOPV-ROUUACIJSA-N 0 3 316.489 3.454 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CC2)c1 ZINC001268987758 1085094934 /nfs/dbraw/zinc/09/49/34/1085094934.db2.gz FMGWHIBUQVVRTL-OALUTQOASA-N 0 3 310.441 3.429 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001269029724 1085102247 /nfs/dbraw/zinc/10/22/47/1085102247.db2.gz IKTBNYIPVULKEQ-IBGZPJMESA-N 0 3 312.457 3.222 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001269241705 1085230968 /nfs/dbraw/zinc/23/09/68/1085230968.db2.gz XDDJOXVOZJASGO-UONOGXRCSA-N 0 3 314.420 3.215 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269241200 1085231483 /nfs/dbraw/zinc/23/14/83/1085231483.db2.gz SCDXKCIUEKYWQF-SJLPKXTDSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001269254462 1085240504 /nfs/dbraw/zinc/24/05/04/1085240504.db2.gz AGTNFKLPUOSEFU-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001269327188 1085301893 /nfs/dbraw/zinc/30/18/93/1085301893.db2.gz UOTORDDSESTIKU-LJQANCHMSA-N 0 3 314.473 3.393 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CC2(c3ccccc3)CC2)C1 ZINC001269333276 1085312359 /nfs/dbraw/zinc/31/23/59/1085312359.db2.gz VXDDSZFPNXVUNG-SFHVURJKSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CC1(CC(=O)N(CC)[C@@H]2CCN(CCOC)C2)CCCCC1 ZINC001269348045 1085323818 /nfs/dbraw/zinc/32/38/18/1085323818.db2.gz HLTCCIIJBRWMQQ-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H]1CCN1CCC1CC1)c1ccccc1 ZINC001269349964 1085326921 /nfs/dbraw/zinc/32/69/21/1085326921.db2.gz FDCVZKBVCYJOCB-MJGOQNOKSA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCNC1(CNC(=O)CC(C)(C)C2CCCCC2)CC1 ZINC001269522908 1085443881 /nfs/dbraw/zinc/44/38/81/1085443881.db2.gz VMVOKAXQCMZQMI-UHFFFAOYSA-N 0 3 304.478 3.245 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cscc2C)CCCC1 ZINC001269538628 1085452910 /nfs/dbraw/zinc/45/29/10/1085452910.db2.gz HWORQXRELJKVIG-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@](C)(CNCc1ccns1)C1CC1 ZINC001269619766 1085501071 /nfs/dbraw/zinc/50/10/71/1085501071.db2.gz UFGVLGSEIQKQEQ-QGZVFWFLSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001269633208 1085504895 /nfs/dbraw/zinc/50/48/95/1085504895.db2.gz VHYYAWAIRDUECY-HNNXBMFYSA-N 0 3 316.848 3.190 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001269633209 1085505394 /nfs/dbraw/zinc/50/53/94/1085505394.db2.gz VHYYAWAIRDUECY-OAHLLOKOSA-N 0 3 316.848 3.190 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)ccc1F)C1CC1 ZINC001269637118 1085506329 /nfs/dbraw/zinc/50/63/29/1085506329.db2.gz AEWZYXFYZPCMBO-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(=C)C ZINC001269659826 1085518014 /nfs/dbraw/zinc/51/80/14/1085518014.db2.gz DEMWBVMYWNKTGV-HDICACEKSA-N 0 3 302.462 3.212 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](CC)CC(C)C)C2)CC1 ZINC001269714270 1085540105 /nfs/dbraw/zinc/54/01/05/1085540105.db2.gz SIIRGMKENCWVNE-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCCC)C(C)C)C2)C1 ZINC001269745161 1085550780 /nfs/dbraw/zinc/55/07/80/1085550780.db2.gz MEXCRRDLRATFHX-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCOCCCC(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001269768085 1085558074 /nfs/dbraw/zinc/55/80/74/1085558074.db2.gz BQVWHERXPUSEJL-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CCC)CCC1)CC2 ZINC001482243591 1085569451 /nfs/dbraw/zinc/56/94/51/1085569451.db2.gz PWRJAHGPBFRRHD-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C#CCCCCCC(=O)N(C)C1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001269831118 1085578825 /nfs/dbraw/zinc/57/88/25/1085578825.db2.gz DCUNRAGJANZBDI-FGTMMUONSA-N 0 3 316.489 3.149 20 30 DGEDHN C[C@@H](C#N)c1cccc(C(=O)N2CC3(C2)CN(C2CCCC2)C3)c1 ZINC001270138700 1085706156 /nfs/dbraw/zinc/70/61/56/1085706156.db2.gz IOSKILOHCPFJBN-HNNXBMFYSA-N 0 3 323.440 3.014 20 30 DGEDHN CC(C)C#CC(=O)NC1(C)CCN(C/C=C\c2ccccc2)CC1 ZINC001270225474 1085739875 /nfs/dbraw/zinc/73/98/75/1085739875.db2.gz IGAMKPTXQPIRRL-YFHOEESVSA-N 0 3 324.468 3.330 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(Cc2ccc(CC)cc2)CC1 ZINC001270274113 1085757520 /nfs/dbraw/zinc/75/75/20/1085757520.db2.gz QWUHEWHWUJPKKM-UHFFFAOYSA-N 0 3 312.457 3.085 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001270589039 1085874554 /nfs/dbraw/zinc/87/45/54/1085874554.db2.gz BLQKGRGIXYIRMT-IBGZPJMESA-N 0 3 312.413 3.050 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCCc2ccc(Cl)cc2)C1 ZINC001270599329 1085878283 /nfs/dbraw/zinc/87/82/83/1085878283.db2.gz DURCBOLLENXKGB-SFHVURJKSA-N 0 3 320.864 3.429 20 30 DGEDHN CC(C)C(=O)N1CCCC[C@H]1CCNCc1ccccc1C#N ZINC001482442288 1086184185 /nfs/dbraw/zinc/18/41/85/1086184185.db2.gz QCCAJISJEJUWEZ-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001270912923 1086188185 /nfs/dbraw/zinc/18/81/85/1086188185.db2.gz FCGJEAVFCMCEBL-HNNXBMFYSA-N 0 3 318.848 3.094 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cscc2Cl)C1 ZINC001270965862 1086223457 /nfs/dbraw/zinc/22/34/57/1086223457.db2.gz QHKOGCSLKGHWHQ-INIZCTEOSA-N 0 3 324.877 3.257 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001270990672 1086237190 /nfs/dbraw/zinc/23/71/90/1086237190.db2.gz CWVAGPPVCXSDTE-IBGZPJMESA-N 0 3 311.429 3.186 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001271094787 1086288590 /nfs/dbraw/zinc/28/85/90/1086288590.db2.gz ZWKJYZRININODU-CYBMUJFWSA-N 0 3 320.399 3.022 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H]1CC ZINC001087618200 1086328239 /nfs/dbraw/zinc/32/82/39/1086328239.db2.gz HGNXWYJVEXQNDI-JKSUJKDBSA-N 0 3 308.372 3.042 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)[C@H]1CC ZINC001087645003 1086337124 /nfs/dbraw/zinc/33/71/24/1086337124.db2.gz BABLFGZWPTWFFH-RBUKOAKNSA-N 0 3 323.440 3.246 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(C)c2Cl)[C@H]1CC ZINC001087655789 1086342105 /nfs/dbraw/zinc/34/21/05/1086342105.db2.gz VDLDPAYDBPZLOJ-JKSUJKDBSA-N 0 3 320.864 3.346 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1CC ZINC001087680962 1086361935 /nfs/dbraw/zinc/36/19/35/1086361935.db2.gz XFRUPZJZUSGRAP-DOTOQJQBSA-N 0 3 315.392 3.076 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1CC ZINC001087711483 1086378077 /nfs/dbraw/zinc/37/80/77/1086378077.db2.gz HAAWXJUFQGIUPA-ZWKOTPCHSA-N 0 3 300.446 3.001 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]1CC ZINC001087781710 1086408207 /nfs/dbraw/zinc/40/82/07/1086408207.db2.gz ATRYBPMLJNYQJE-DLBZAZTESA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H]1CC ZINC001087783896 1086409716 /nfs/dbraw/zinc/40/97/16/1086409716.db2.gz ADOADZHVBFCJHF-ZWKOTPCHSA-N 0 3 309.413 3.004 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1CC ZINC001087792846 1086411043 /nfs/dbraw/zinc/41/10/43/1086411043.db2.gz BYZYQVIDYFYLLQ-LSDHHAIUSA-N 0 3 304.434 3.309 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@H]1CC ZINC001087792821 1086411527 /nfs/dbraw/zinc/41/15/27/1086411527.db2.gz ARBQCIKLZNCSIQ-UONOGXRCSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccc(F)cc23)[C@H]1CC ZINC001087809721 1086418566 /nfs/dbraw/zinc/41/85/66/1086418566.db2.gz HQEBXWBAMRZNAU-JKSUJKDBSA-N 0 3 316.376 3.341 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@H]1CC ZINC001087833614 1086433852 /nfs/dbraw/zinc/43/38/52/1086433852.db2.gz KKGMTJFSSKYUDU-JKSUJKDBSA-N 0 3 304.409 3.211 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@H]1CC ZINC001087835548 1086435733 /nfs/dbraw/zinc/43/57/33/1086435733.db2.gz FHLQLXVBBCAWNW-XOKHGSTOSA-N 0 3 304.409 3.084 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)s2)[C@H]1CC ZINC001087843214 1086440005 /nfs/dbraw/zinc/44/00/05/1086440005.db2.gz KHRGRMPPSPRUIK-LSDHHAIUSA-N 0 3 318.486 3.478 20 30 DGEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccoc1 ZINC001271248109 1086556491 /nfs/dbraw/zinc/55/64/91/1086556491.db2.gz WGTOQCQPKSFPDI-LJQANCHMSA-N 0 3 324.424 3.065 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](CNCC=C(Cl)Cl)CC(C)C ZINC001271261425 1086559389 /nfs/dbraw/zinc/55/93/89/1086559389.db2.gz LDRAPXDBAHGQDB-CYBMUJFWSA-N 0 3 319.276 3.085 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C3CCCCC3)C[C@@H]2C1 ZINC001088133659 1086618962 /nfs/dbraw/zinc/61/89/62/1086618962.db2.gz UUVNOVCGDPECGU-SJORKVTESA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)C3CCCCC3)C[C@@H]2C1 ZINC001088138072 1086620822 /nfs/dbraw/zinc/62/08/22/1086620822.db2.gz RTDDKECHNDMNNH-QRQLOZEOSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN[C@H](CNC(=O)/C=C/c1ccco1)c1ccccc1CC ZINC001271439348 1086629470 /nfs/dbraw/zinc/62/94/70/1086629470.db2.gz RSWHPXXEAALEES-TZZQJPOUSA-N 0 3 324.424 3.488 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CCCCC(C)C)C[C@H]1C(F)(F)F ZINC001112180570 1086651418 /nfs/dbraw/zinc/65/14/18/1086651418.db2.gz DUAWGGWDDPMCKG-ZIAGYGMSSA-N 0 3 320.399 3.368 20 30 DGEDHN CC(C)[C@H]1CN(Cc2cc(C#N)ccc2N(C)C)CCS1 ZINC001204682283 1086658293 /nfs/dbraw/zinc/65/82/93/1086658293.db2.gz QFYHFNVSUWKIRJ-QGZVFWFLSA-N 0 3 303.475 3.198 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ncccc2C)C1 ZINC001088290310 1086767876 /nfs/dbraw/zinc/76/78/76/1086767876.db2.gz HIZKSRVJNUSKTP-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(C(F)F)CC2)C1 ZINC001088313686 1086787524 /nfs/dbraw/zinc/78/75/24/1086787524.db2.gz DEDXNDDXNDUISP-LBPRGKRZSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001088321802 1086792728 /nfs/dbraw/zinc/79/27/28/1086792728.db2.gz OBWYZXVGNXXNKE-QGZVFWFLSA-N 0 3 320.864 3.398 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H](NCC(=C)Cl)C(C)C)c1ccccc1 ZINC001271940090 1086847961 /nfs/dbraw/zinc/84/79/61/1086847961.db2.gz JICWYEKYSAZCLS-IRXDYDNUSA-N 0 3 320.864 3.439 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001088362350 1086856605 /nfs/dbraw/zinc/85/66/05/1086856605.db2.gz QLTJEHYRFRRFFH-NVXWUHKLSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001088380658 1086891782 /nfs/dbraw/zinc/89/17/82/1086891782.db2.gz MTYOWCCIUAFFJE-LSDHHAIUSA-N 0 3 324.852 3.496 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)c2ccccc2n1 ZINC001272050101 1087030457 /nfs/dbraw/zinc/03/04/57/1087030457.db2.gz XUMZSEBJLGVIAG-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001482636364 1087095341 /nfs/dbraw/zinc/09/53/41/1087095341.db2.gz UMNGQFHRWZJEBK-OAHLLOKOSA-N 0 3 306.425 3.286 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001272084924 1087111255 /nfs/dbraw/zinc/11/12/55/1087111255.db2.gz DOQWKPZWAJMNHW-OKZBNKHCSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCN[C@H](C)c1c(F)cccc1F ZINC001482817030 1087166238 /nfs/dbraw/zinc/16/62/38/1087166238.db2.gz PBHLQBPVUHEXFO-QWHCGFSZSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CCN[C@H](C)c1c(F)cccc1F ZINC001482817028 1087166373 /nfs/dbraw/zinc/16/63/73/1087166373.db2.gz PBHLQBPVUHEXFO-CHWSQXEVSA-N 0 3 310.388 3.476 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001482866469 1087175786 /nfs/dbraw/zinc/17/57/86/1087175786.db2.gz ARGGSELPHIHJRQ-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCC(=O)N(CC)CCNCc1cc2ccccc2o1 ZINC001482921043 1087187205 /nfs/dbraw/zinc/18/72/05/1087187205.db2.gz DYWPSNARNABQDK-UHFFFAOYSA-N 0 3 312.413 3.174 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)OC1CCCCCC1 ZINC001272105759 1087203831 /nfs/dbraw/zinc/20/38/31/1087203831.db2.gz PIQWMWDKUKHZQO-INIZCTEOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2nc(C)ccc2c1 ZINC001272137934 1087217578 /nfs/dbraw/zinc/21/75/78/1087217578.db2.gz PCXIDGFPOVRWCQ-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H]1C ZINC001088635373 1087240913 /nfs/dbraw/zinc/24/09/13/1087240913.db2.gz RHLSITCJIJVGOO-SYQHCUMBSA-N 0 3 318.383 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001483064117 1087323691 /nfs/dbraw/zinc/32/36/91/1087323691.db2.gz HFFODMXLDSUBKM-BQYQJAHWSA-N 0 3 315.461 3.063 20 30 DGEDHN CC(C)C#CC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001126833700 1087344780 /nfs/dbraw/zinc/34/47/80/1087344780.db2.gz AVFPXRWLAGMQEE-UHFFFAOYSA-N 0 3 318.420 3.122 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001483158532 1087407662 /nfs/dbraw/zinc/40/76/62/1087407662.db2.gz NUJXNVBVQNOHNI-CHWSQXEVSA-N 0 3 310.388 3.161 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001483212124 1087420843 /nfs/dbraw/zinc/42/08/43/1087420843.db2.gz JGYGPRFUPFOYKZ-GSHXUFRSSA-N 0 3 318.848 3.142 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccccc1Cl ZINC001483220536 1087427422 /nfs/dbraw/zinc/42/74/22/1087427422.db2.gz FWCFHGHJLQURIH-AWEZNQCLSA-N 0 3 306.837 3.128 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C1(Cc2ccccc2)CCC1 ZINC001483352474 1087477457 /nfs/dbraw/zinc/47/74/57/1087477457.db2.gz XOVPGDTYSOBZIN-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483399227 1087491570 /nfs/dbraw/zinc/49/15/70/1087491570.db2.gz IZOSROZHTCPQGA-CVEARBPZSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001483483794 1087512087 /nfs/dbraw/zinc/51/20/87/1087512087.db2.gz YOFWLPVCUKADTG-UHFFFAOYSA-N 0 3 320.864 3.297 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)[C@H](C)[C@@H](C)CC ZINC001483500340 1087516345 /nfs/dbraw/zinc/51/63/45/1087516345.db2.gz OROHRKBGRHIKCH-WCQYABFASA-N 0 3 319.287 3.015 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001483513384 1087519284 /nfs/dbraw/zinc/51/92/84/1087519284.db2.gz SZZJPDNWCCFOFQ-UHFFFAOYSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001105836399 1087558845 /nfs/dbraw/zinc/55/88/45/1087558845.db2.gz KOIQOGTTXJAOQU-BZUAXINKSA-N 0 3 316.445 3.045 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001483641249 1087595058 /nfs/dbraw/zinc/59/50/58/1087595058.db2.gz FOGGQWDIOJWFCI-UYAOXDASSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(Cl)c2F)[C@H]1C ZINC001088881669 1087596193 /nfs/dbraw/zinc/59/61/93/1087596193.db2.gz ZXEJSXNWQPGDPS-DOMZBBRYSA-N 0 3 324.827 3.177 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001483666537 1087614139 /nfs/dbraw/zinc/61/41/39/1087614139.db2.gz SZPVTWWVXIZILY-LJQANCHMSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCCc3ccccc32)[C@H]1C ZINC001089063766 1087629821 /nfs/dbraw/zinc/62/98/21/1087629821.db2.gz RMBHNCUXRXBKRZ-MNEFBYGVSA-N 0 3 312.457 3.262 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)[C@H]1C ZINC001089066019 1087630592 /nfs/dbraw/zinc/63/05/92/1087630592.db2.gz NMCPGYDBIAWMFI-AHRSYUTCSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001121852692 1087719144 /nfs/dbraw/zinc/71/91/44/1087719144.db2.gz ZWRJZLRENCUYKM-AWEZNQCLSA-N 0 3 314.351 3.347 20 30 DGEDHN Cc1ccc2nc(-n3ccc([C@H](C)N)n3)c(C#N)c(Cl)c2c1 ZINC001158355631 1087786636 /nfs/dbraw/zinc/78/66/36/1087786636.db2.gz CZFBWJZQETXVMK-JTQLQIEISA-N 0 3 311.776 3.274 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc3c(c2)CCC3)C1=O ZINC001272538822 1087790229 /nfs/dbraw/zinc/79/02/29/1087790229.db2.gz UJKLETSACGMEKR-OAQYLSRUSA-N 0 3 324.468 3.318 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)s2)CC(C)(C)C1 ZINC001089302279 1087797512 /nfs/dbraw/zinc/79/75/12/1087797512.db2.gz BWDZHCHLOFLXEE-HNNXBMFYSA-N 0 3 318.486 3.300 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000176534969 1087897100 /nfs/dbraw/zinc/89/71/00/1087897100.db2.gz PVNACXPNCNRFGV-LBPRGKRZSA-N 0 3 320.776 3.352 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1scnc1C1CC1 ZINC001158578625 1087921231 /nfs/dbraw/zinc/92/12/31/1087921231.db2.gz WMPUGBVOMIYCQP-CQSZACIVSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CCC ZINC001158667818 1087965401 /nfs/dbraw/zinc/96/54/01/1087965401.db2.gz ZVCDWASOOFWVJN-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152459436 1087981647 /nfs/dbraw/zinc/98/16/47/1087981647.db2.gz CXIWYTGNTCEEPB-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1 ZINC001158773308 1088024335 /nfs/dbraw/zinc/02/43/35/1088024335.db2.gz DPYVEXQXONIITL-MRXNPFEDSA-N 0 3 306.837 3.453 20 30 DGEDHN C=CC[C@H](Nc1ccc([C@@H]2CCCCN2CC)cn1)C(=O)OC ZINC001158863072 1088075805 /nfs/dbraw/zinc/07/58/05/1088075805.db2.gz XPIJOFOLXUBISO-HOTGVXAUSA-N 0 3 317.433 3.158 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)c1ccco1 ZINC001099236456 1088228188 /nfs/dbraw/zinc/22/81/88/1088228188.db2.gz ZNOFHSUVYOSHKF-CABCVRRESA-N 0 3 304.434 3.176 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001153609079 1088304105 /nfs/dbraw/zinc/30/41/05/1088304105.db2.gz XOBQKWZPUJCCLD-CQSZACIVSA-N 0 3 323.506 3.115 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccsc1C ZINC001099258899 1088359414 /nfs/dbraw/zinc/35/94/14/1088359414.db2.gz VOBKHNNRUQUDSH-MRXNPFEDSA-N 0 3 320.502 3.392 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001099264089 1088377432 /nfs/dbraw/zinc/37/74/32/1088377432.db2.gz MZWVEHREWXJHSM-JKSUJKDBSA-N 0 3 318.461 3.484 20 30 DGEDHN Cc1ccnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1C#N ZINC001159592052 1088408185 /nfs/dbraw/zinc/40/81/85/1088408185.db2.gz JJUUBILHBJBTAG-ZDUSSCGKSA-N 0 3 303.369 3.134 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc(Cl)cc1C#N ZINC001159594904 1088410520 /nfs/dbraw/zinc/41/05/20/1088410520.db2.gz KEBJZOLYOGQPDM-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1CC(C)(C)C ZINC001153948199 1088417391 /nfs/dbraw/zinc/41/73/91/1088417391.db2.gz SDVLVQIQPZVINA-MRXNPFEDSA-N 0 3 314.473 3.349 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C/c1ccc(F)cc1 ZINC001153995157 1088431489 /nfs/dbraw/zinc/43/14/89/1088431489.db2.gz UWNPNXYQABOWMN-KXPUMZMLSA-N 0 3 316.420 3.079 20 30 DGEDHN CC#CCNC1(CNC(=O)C2CC(C)(C)CC(C)(C)C2)CC1 ZINC001483755474 1088499080 /nfs/dbraw/zinc/49/90/80/1088499080.db2.gz URIXDMOUOOPSLE-UHFFFAOYSA-N 0 3 304.478 3.101 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ccccc1 ZINC001099319508 1088557880 /nfs/dbraw/zinc/55/78/80/1088557880.db2.gz ADOXMHVPJDVJQY-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212231407 1088583496 /nfs/dbraw/zinc/58/34/96/1088583496.db2.gz YWTIMCBXRHJLHD-QZTJIDSGSA-N 0 3 320.477 3.049 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1cccc(Cl)c1 ZINC001154509856 1088636921 /nfs/dbraw/zinc/63/69/21/1088636921.db2.gz SHHASSWAGXNXCY-OAHLLOKOSA-N 0 3 320.864 3.123 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001160131239 1088658126 /nfs/dbraw/zinc/65/81/26/1088658126.db2.gz IDPGXUDLUUUWHX-SFHVURJKSA-N 0 3 314.473 3.119 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc(F)c2C)CC1 ZINC001160196638 1088695183 /nfs/dbraw/zinc/69/51/83/1088695183.db2.gz VPABQTOITTYBFH-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN CN(Cc1ccc(NCCOc2ccc(C#N)cc2)nc1)C1CC1 ZINC001160283465 1088739088 /nfs/dbraw/zinc/73/90/88/1088739088.db2.gz RTYHFMPKARMLKB-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)CC(C)(C)C1 ZINC001089553607 1088740114 /nfs/dbraw/zinc/74/01/14/1088740114.db2.gz XCKDAKYCKMMADZ-SFHVURJKSA-N 0 3 312.457 3.157 20 30 DGEDHN N#Cc1ccc(OCCNc2ncccc2CN2CCCC2)cc1 ZINC001160287406 1088741770 /nfs/dbraw/zinc/74/17/70/1088741770.db2.gz FGJMQOIKTULZDE-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)CC(C)(C)C1 ZINC001089555962 1088742503 /nfs/dbraw/zinc/74/25/03/1088742503.db2.gz OHQODJPWIFYZEU-KRWDZBQOSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)CC(C)(C)C1 ZINC001089561729 1088746823 /nfs/dbraw/zinc/74/68/23/1088746823.db2.gz SNWGLIOCHVSTDT-FXAWDEMLSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)CC(C)(C)C1 ZINC001089561730 1088746871 /nfs/dbraw/zinc/74/68/71/1088746871.db2.gz SNWGLIOCHVSTDT-PXNSSMCTSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)CC(C)(C)C1 ZINC001089565824 1088751124 /nfs/dbraw/zinc/75/11/24/1088751124.db2.gz ZNIGVEQTWZPCDP-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)s2)CC(C)(C)C1 ZINC001089567289 1088754000 /nfs/dbraw/zinc/75/40/00/1088754000.db2.gz XOZNTGJWHMYWGZ-ZDUSSCGKSA-N 0 3 322.449 3.131 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CC2(c3ccccc3)CC2)CC1 ZINC001160314237 1088754384 /nfs/dbraw/zinc/75/43/84/1088754384.db2.gz HZLKNQAZCUGIEO-UHFFFAOYSA-N 0 3 324.468 3.433 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001089622071 1088833342 /nfs/dbraw/zinc/83/33/42/1088833342.db2.gz DKVRUUNXTPIQRX-MRXNPFEDSA-N 0 3 316.445 3.140 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001089623793 1088837482 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C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C(F)(F)F ZINC001483811463 1088913338 /nfs/dbraw/zinc/91/33/38/1088913338.db2.gz NLOOETMQDPYCRC-MJBXVCDLSA-N 0 3 318.383 3.216 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1(CC)CC1 ZINC001155056420 1088922024 /nfs/dbraw/zinc/92/20/24/1088922024.db2.gz OUSMTKCCMBIMJD-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CC(C)(C)CC(F)F)CC1 ZINC001160714308 1088928802 /nfs/dbraw/zinc/92/88/02/1088928802.db2.gz KFCLYDSXYXVCAZ-UHFFFAOYSA-N 0 3 314.420 3.382 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC001160728759 1088934323 /nfs/dbraw/zinc/93/43/23/1088934323.db2.gz NCWWRFQXVPQCKB-PZJWPPBQSA-N 0 3 324.468 3.289 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001160744005 1088940744 /nfs/dbraw/zinc/94/07/44/1088940744.db2.gz BOGORZQKZMFNIX-BCDXTJNWSA-N 0 3 302.462 3.137 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001483941541 1089025374 /nfs/dbraw/zinc/02/53/74/1089025374.db2.gz YFYWXGLOKSCSJP-NSHDSACASA-N 0 3 305.249 3.098 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC001155192796 1089001405 /nfs/dbraw/zinc/00/14/05/1089001405.db2.gz BBPVPTACBALJCZ-PMXLPMHFSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001483941798 1089025131 /nfs/dbraw/zinc/02/51/31/1089025131.db2.gz DQEHXOFANAGDIM-INIZCTEOSA-N 0 3 304.409 3.263 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(C)c2cc(OC)ccc2n1 ZINC001160953678 1089037408 /nfs/dbraw/zinc/03/74/08/1089037408.db2.gz GQPPQBLRIPLTLW-AWEZNQCLSA-N 0 3 312.417 3.009 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nccc(-c2ccccc2OC)n1 ZINC001160957126 1089043204 /nfs/dbraw/zinc/04/32/04/1089043204.db2.gz GAGYMVNKRRCVOX-HNNXBMFYSA-N 0 3 324.428 3.215 20 30 DGEDHN C#CCN(C(=O)C1CCCCCC1)C1CCN(CC(=C)C)CC1 ZINC001483981165 1089066903 /nfs/dbraw/zinc/06/69/03/1089066903.db2.gz SDOCNIDKWNFZJN-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(F)c(F)cc2F)CC1 ZINC001161044664 1089088693 /nfs/dbraw/zinc/08/86/93/1089088693.db2.gz OIBILGQOOUOJSH-UHFFFAOYSA-N 0 3 324.346 3.042 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2nccc3ccccc32)CC1 ZINC001161056645 1089093428 /nfs/dbraw/zinc/09/34/28/1089093428.db2.gz MUNXYFGSXDUBJE-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001089672139 1089100061 /nfs/dbraw/zinc/10/00/61/1089100061.db2.gz GOZAXNJTKPLTJN-JTDSTZFVSA-N 0 3 304.478 3.360 20 30 DGEDHN Cc1cc(CN2CC[C@](C)(NC(=O)C#CC(C)C)C2)c(C)s1 ZINC001484046374 1089122399 /nfs/dbraw/zinc/12/23/99/1089122399.db2.gz QWWVIZHVAGIWNM-SFHVURJKSA-N 0 3 318.486 3.105 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)CN2CC=C)cc1 ZINC001089679877 1089134971 /nfs/dbraw/zinc/13/49/71/1089134971.db2.gz BWZTWYGLQQQFFH-SFHVURJKSA-N 0 3 310.441 3.074 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001089685321 1089159628 /nfs/dbraw/zinc/15/96/28/1089159628.db2.gz BGDOISOKXFIHCH-CQSZACIVSA-N 0 3 321.490 3.248 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001484074168 1089160221 /nfs/dbraw/zinc/16/02/21/1089160221.db2.gz PLZFUEQXOQMECD-DNVCBOLYSA-N 0 3 318.436 3.161 20 30 DGEDHN N#Cc1cc(F)c(Cl)nc1N[C@@H]1CNCc2ccsc21 ZINC001155560183 1089163457 /nfs/dbraw/zinc/16/34/57/1089163457.db2.gz YJKDWCYPAKDIPR-SNVBAGLBSA-N 0 3 308.769 3.064 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1ccccc1C ZINC001155612099 1089185196 /nfs/dbraw/zinc/18/51/96/1089185196.db2.gz OAFWQJCAJJULMG-ZWKOTPCHSA-N 0 3 314.473 3.339 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)CC2CCCC2)CC1 ZINC001161383021 1089219745 /nfs/dbraw/zinc/21/97/45/1089219745.db2.gz FJCJQQCRZAQJMI-QGZVFWFLSA-N 0 3 316.489 3.365 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)CCCCC)CC1 ZINC001484143809 1089222538 /nfs/dbraw/zinc/22/25/38/1089222538.db2.gz PUDHWZLLXWLGOC-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2csc(Cl)c2)CC1 ZINC001161390694 1089223586 /nfs/dbraw/zinc/22/35/86/1089223586.db2.gz JCURVGWRUVICEQ-UHFFFAOYSA-N 0 3 322.861 3.177 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(C)c1Cl ZINC001155911073 1089298995 /nfs/dbraw/zinc/29/89/95/1089298995.db2.gz ZOILRQOZCMXAPB-CQSZACIVSA-N 0 3 306.837 3.112 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001089726566 1089306030 /nfs/dbraw/zinc/30/60/30/1089306030.db2.gz OCBMDZKMWUPMMZ-KRWDZBQOSA-N 0 3 300.446 3.401 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001089731469 1089311894 /nfs/dbraw/zinc/31/18/94/1089311894.db2.gz RAUKBWQRIMRZID-MRXNPFEDSA-N 0 3 317.477 3.048 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3c(C)cccn3c2)CC1 ZINC001161689232 1089348800 /nfs/dbraw/zinc/34/88/00/1089348800.db2.gz ZDZDAQLRVFSVCU-UHFFFAOYSA-N 0 3 323.440 3.186 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC001161699557 1089356121 /nfs/dbraw/zinc/35/61/21/1089356121.db2.gz UJWWUKRIFJMJAZ-HNNXBMFYSA-N 0 3 318.486 3.484 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cccc(Cl)c2)CC1 ZINC001161763254 1089389297 /nfs/dbraw/zinc/38/92/97/1089389297.db2.gz OJYHOPYKXNXIHE-UHFFFAOYSA-N 0 3 316.832 3.115 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3[nH]ccc3s2)CC1 ZINC001161790410 1089402798 /nfs/dbraw/zinc/40/27/98/1089402798.db2.gz OIHXFPIUGXAVDD-UHFFFAOYSA-N 0 3 315.442 3.167 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)CC(C)C)CC1 ZINC001484401824 1089404485 /nfs/dbraw/zinc/40/44/85/1089404485.db2.gz TYWBZUGEMJMSJO-UHFFFAOYSA-N 0 3 315.461 3.107 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2sccc2C)cc1 ZINC001272683693 1089441809 /nfs/dbraw/zinc/44/18/09/1089441809.db2.gz RABOVFFOZUCUGH-AWEZNQCLSA-N 0 3 312.438 3.270 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001484518448 1089456590 /nfs/dbraw/zinc/45/65/90/1089456590.db2.gz JHBRQGVPRZYVDN-NSHDSACASA-N 0 3 317.216 3.127 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1oc2ccccc2c1Cl ZINC001156336099 1089480896 /nfs/dbraw/zinc/48/08/96/1089480896.db2.gz VTRUOQQNAYUFCO-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001156374316 1089495524 /nfs/dbraw/zinc/49/55/24/1089495524.db2.gz NURPDMBEDCMEEY-MRXNPFEDSA-N 0 3 312.457 3.418 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](F)CC1CCCCC1 ZINC001156409487 1089509350 /nfs/dbraw/zinc/50/93/50/1089509350.db2.gz NUVHYOHGMKLJBN-NVXWUHKLSA-N 0 3 310.457 3.145 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)/C(C)=C/CC)cccc2C1 ZINC001484611166 1089538070 /nfs/dbraw/zinc/53/80/70/1089538070.db2.gz BUBVRRSMMISCJL-LZYBPNLTSA-N 0 3 310.441 3.041 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3sccc3s2)CCC1 ZINC001484639858 1089563704 /nfs/dbraw/zinc/56/37/04/1089563704.db2.gz VUXXXKBYZUXKAH-UHFFFAOYSA-N 0 3 318.467 3.228 20 30 DGEDHN Cc1ccc2nc(N[C@H]3CCN(C)C3)c(C#N)c(Cl)c2c1 ZINC001156581496 1089593570 /nfs/dbraw/zinc/59/35/70/1089593570.db2.gz RBGQFUIVPACXGQ-NSHDSACASA-N 0 3 300.793 3.184 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2cnccc2C)CC1 ZINC001484723065 1089613356 /nfs/dbraw/zinc/61/33/56/1089613356.db2.gz LHRSZBWHVNJXED-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1ccc(F)cc1 ZINC001156672555 1089635638 /nfs/dbraw/zinc/63/56/38/1089635638.db2.gz SVPXBRBGLMUDEO-PFONDFGASA-N 0 3 304.409 3.195 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2sccc2s1 ZINC001484747058 1089635686 /nfs/dbraw/zinc/63/56/86/1089635686.db2.gz MAFOARXKGTVLLP-UHFFFAOYSA-N 0 3 320.483 3.380 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC001484762690 1089651895 /nfs/dbraw/zinc/65/18/95/1089651895.db2.gz MAQWCFDXMBDJES-UHFFFAOYSA-N 0 3 300.446 3.011 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CCC)C(C)C)C2 ZINC001484830474 1089695163 /nfs/dbraw/zinc/69/51/63/1089695163.db2.gz LVKRQLMLEYLIFW-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCCCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001156811573 1089704107 /nfs/dbraw/zinc/70/41/07/1089704107.db2.gz GELWMITZKKOSDW-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(CC)cc1 ZINC001156849073 1089718112 /nfs/dbraw/zinc/71/81/12/1089718112.db2.gz MGPKXKXNZNKXIP-QGZVFWFLSA-N 0 3 314.473 3.032 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NCc2cc3ccccc3o2)C1 ZINC001484887031 1089722725 /nfs/dbraw/zinc/72/27/25/1089722725.db2.gz JWGZEPNHSJKAIA-QAPCUYQASA-N 0 3 324.424 3.029 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001484899947 1089728505 /nfs/dbraw/zinc/72/85/05/1089728505.db2.gz QDJWBBARKWKIPX-HKUYNNGSSA-N 0 3 324.468 3.077 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)cs2)cc1 ZINC001272692472 1089756879 /nfs/dbraw/zinc/75/68/79/1089756879.db2.gz VGVAISWDUSZILC-AWEZNQCLSA-N 0 3 312.438 3.270 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)c1ccc(Cl)cc1 ZINC001157047262 1089798991 /nfs/dbraw/zinc/79/89/91/1089798991.db2.gz OFSFEHMEUUIPGE-RHSMWYFYSA-N 0 3 320.864 3.293 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccccc1Cl ZINC001485002354 1089826849 /nfs/dbraw/zinc/82/68/49/1089826849.db2.gz CROCZMBRCRBJIJ-LBPRGKRZSA-N 0 3 315.244 3.119 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001157184375 1089863295 /nfs/dbraw/zinc/86/32/95/1089863295.db2.gz SKNFGWZXCBAOLN-QAPCUYQASA-N 0 3 318.436 3.169 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(C)occ1C(F)(F)F ZINC001162696889 1089888337 /nfs/dbraw/zinc/88/83/37/1089888337.db2.gz IFUNTLSVMXQISB-UHFFFAOYSA-N 0 3 324.730 3.069 20 30 DGEDHN CCCCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001485050384 1089889484 /nfs/dbraw/zinc/88/94/84/1089889484.db2.gz YGMFVPPHIMCYFS-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001157384511 1089939170 /nfs/dbraw/zinc/93/91/70/1089939170.db2.gz WXXWJYLQIDRFPE-GFCCVEGCSA-N 0 3 318.804 3.160 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]([C@@H]3CCN(CCF)C3)C2)CCC1 ZINC001485082442 1089942487 /nfs/dbraw/zinc/94/24/87/1089942487.db2.gz OUNXAPAZRVCYFA-DLBZAZTESA-N 0 3 322.468 3.263 20 30 DGEDHN COc1c(C#N)c(F)ccc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162778541 1089948814 /nfs/dbraw/zinc/94/88/14/1089948814.db2.gz MHCKQBPZOLVMCU-SNVBAGLBSA-N 0 3 310.332 3.065 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc(CC#N)c([N+](=O)[O-])c1 ZINC001162777344 1089949941 /nfs/dbraw/zinc/94/99/41/1089949941.db2.gz QQQNLCYIDXIGFK-NSHDSACASA-N 0 3 321.340 3.019 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C[C@H](C)CC ZINC001162790985 1089956581 /nfs/dbraw/zinc/95/65/81/1089956581.db2.gz UQJOQPNCAKGECZ-GOSISDBHSA-N 0 3 314.473 3.107 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCC1CCC1 ZINC001485133365 1089966964 /nfs/dbraw/zinc/96/69/64/1089966964.db2.gz GZZTWGWLZHUWBS-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(CC)c(CC)c1 ZINC001157440837 1089968678 /nfs/dbraw/zinc/96/86/78/1089968678.db2.gz AWRRZZDVXCPTBY-MRXNPFEDSA-N 0 3 314.473 3.275 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1(C)CC1 ZINC001089838820 1090002407 /nfs/dbraw/zinc/00/24/07/1090002407.db2.gz MUVSITKVBPWJRM-FZKCQIBNSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(CCC)CC1 ZINC001485260926 1090055471 /nfs/dbraw/zinc/05/54/71/1090055471.db2.gz SKJGOUUSNXJLNU-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C)CCCC1 ZINC001485257073 1090063220 /nfs/dbraw/zinc/06/32/20/1090063220.db2.gz JOHGZBKGWHAGBV-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1nccs1 ZINC001485258864 1090066271 /nfs/dbraw/zinc/06/62/71/1090066271.db2.gz DWTBLCIHGJKALX-KRWDZBQOSA-N 0 3 323.506 3.320 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)C ZINC001157669793 1090066906 /nfs/dbraw/zinc/06/69/06/1090066906.db2.gz ZKCKXDCAAYEDTA-QZTJIDSGSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001485319445 1090099136 /nfs/dbraw/zinc/09/91/36/1090099136.db2.gz OFBABDRFMQGAJJ-CGTJXYLNSA-N 0 3 300.446 3.193 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1cccc(CC)c1 ZINC001485340647 1090112397 /nfs/dbraw/zinc/11/23/97/1090112397.db2.gz XJXUOMHSBGDJAK-KRWDZBQOSA-N 0 3 314.473 3.379 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccccc2C)CC1 ZINC001163216782 1090118493 /nfs/dbraw/zinc/11/84/93/1090118493.db2.gz OKNSONIOUFVHOX-UHFFFAOYSA-N 0 3 306.837 3.237 20 30 DGEDHN N#Cc1ccc(N[C@H]2CNCc3ccsc32)nc1C(F)(F)F ZINC001163220358 1090121058 /nfs/dbraw/zinc/12/10/58/1090121058.db2.gz CTVHKGGSCBDTBS-JTQLQIEISA-N 0 3 324.331 3.290 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cccc(F)c2)CC1 ZINC001163245672 1090130585 /nfs/dbraw/zinc/13/05/85/1090130585.db2.gz IGWHSKHTXSOXRJ-UHFFFAOYSA-N 0 3 310.800 3.068 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001485373694 1090134448 /nfs/dbraw/zinc/13/44/48/1090134448.db2.gz VAAWYLXESLFHKE-SJORKVTESA-N 0 3 302.462 3.186 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001485376225 1090136146 /nfs/dbraw/zinc/13/61/46/1090136146.db2.gz RUZDDGFPMQFMBJ-RDJZCZTQSA-N 0 3 300.446 3.119 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)C[C@@H]1CCCCO1 ZINC001158011836 1090171462 /nfs/dbraw/zinc/17/14/62/1090171462.db2.gz RDJZIAZRRVGVKG-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)CCOCC1CC1 ZINC001158011638 1090171531 /nfs/dbraw/zinc/17/15/31/1090171531.db2.gz IQNQEKCCYQKTDW-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCC[C@H](CNCC#Cc1cccc(Cl)c1)NC(=O)CC ZINC001485458597 1090171584 /nfs/dbraw/zinc/17/15/84/1090171584.db2.gz CIUCZUJTKHYROR-QGZVFWFLSA-N 0 3 320.864 3.366 20 30 DGEDHN CCCCCCC[NH+]1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001485494053 1090190865 /nfs/dbraw/zinc/19/08/65/1090190865.db2.gz WGPGTAXJWDPLFM-HNNXBMFYSA-N 0 3 318.461 3.413 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001485505950 1090195382 /nfs/dbraw/zinc/19/53/82/1090195382.db2.gz JINFLHCKUHRDCZ-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)CCC2CCCCCC2)C1 ZINC001485517629 1090199653 /nfs/dbraw/zinc/19/96/53/1090199653.db2.gz WIZLPUQXORNGQM-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(C(F)F)c1F ZINC001158224723 1090204072 /nfs/dbraw/zinc/20/40/72/1090204072.db2.gz QLWAPUCVIBUWJE-UHFFFAOYSA-N 0 3 320.742 3.225 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CCC2(CC2)CC1 ZINC001158227749 1090204669 /nfs/dbraw/zinc/20/46/69/1090204669.db2.gz NMTTWGLAIZRRKE-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCOCC(C)C)CC1(C)C ZINC001485575630 1090220299 /nfs/dbraw/zinc/22/02/99/1090220299.db2.gz PRVLBTRHCJLINK-VQIMIIECSA-N 0 3 324.509 3.088 20 30 DGEDHN CC(C)=CCN1C[C@H](NC(=O)CC#Cc2ccccc2)C(C)(C)C1 ZINC001485587773 1090222881 /nfs/dbraw/zinc/22/28/81/1090222881.db2.gz WCRQNXROMQBBIB-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC001485718252 1090248989 /nfs/dbraw/zinc/24/89/89/1090248989.db2.gz PZXIOVWHWBZCKN-GFCCVEGCSA-N 0 3 302.821 3.411 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCc1ccncc1Cl ZINC001485732533 1090253340 /nfs/dbraw/zinc/25/33/40/1090253340.db2.gz JMKARKBVASDSMH-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001272701162 1090286140 /nfs/dbraw/zinc/28/61/40/1090286140.db2.gz DOEKXMSIBYIAED-KRWDZBQOSA-N 0 3 314.420 3.455 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCc2ccccc2)cc1 ZINC001272702132 1090297443 /nfs/dbraw/zinc/29/74/43/1090297443.db2.gz ZMTOMELFUPSHQW-QGZVFWFLSA-N 0 3 320.436 3.219 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(CC)CC1 ZINC001089861529 1090313513 /nfs/dbraw/zinc/31/35/13/1090313513.db2.gz IGQMOWOJVNBUIP-JJXSEGSLSA-N 0 3 322.880 3.098 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001164223046 1090377161 /nfs/dbraw/zinc/37/71/61/1090377161.db2.gz PNOXGUMDDNVUHX-KBPBESRZSA-N 0 3 321.465 3.161 20 30 DGEDHN CC#CCCCC(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001164268528 1090391051 /nfs/dbraw/zinc/39/10/51/1090391051.db2.gz KJZHXIMGHDPJAR-AWEZNQCLSA-N 0 3 322.399 3.315 20 30 DGEDHN COc1cc(NCC2CN(Cc3ccccc3)C2)ccc1CC#N ZINC001165453609 1090522991 /nfs/dbraw/zinc/52/29/91/1090522991.db2.gz FZVIWZAGMUSGGF-UHFFFAOYSA-N 0 3 321.424 3.305 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1cccc(OC)c1Cl ZINC001165531622 1090527903 /nfs/dbraw/zinc/52/79/03/1090527903.db2.gz UTNWXACCZQNGFC-UHFFFAOYSA-N 0 3 324.852 3.301 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1nsc2ccccc21 ZINC001165531811 1090528009 /nfs/dbraw/zinc/52/80/09/1090528009.db2.gz ZYCOXUDXYHQGCT-UHFFFAOYSA-N 0 3 317.458 3.249 20 30 DGEDHN C=CCCCC(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001165559548 1090531005 /nfs/dbraw/zinc/53/10/05/1090531005.db2.gz GQKXAWIBKLVIMP-ZDUSSCGKSA-N 0 3 310.388 3.478 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001128081259 1090643051 /nfs/dbraw/zinc/64/30/51/1090643051.db2.gz JESNKSAZZZMIHK-UHFFFAOYSA-N 0 3 312.413 3.407 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1cc2ccccc2o1 ZINC001485855678 1090710010 /nfs/dbraw/zinc/71/00/10/1090710010.db2.gz YNQBRMXKVSZMKY-CQSZACIVSA-N 0 3 300.402 3.336 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001485870781 1090717410 /nfs/dbraw/zinc/71/74/10/1090717410.db2.gz IMDJUBABLXAWMY-CYBMUJFWSA-N 0 3 324.827 3.075 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C1CC(C)(C)C1 ZINC001486109630 1090751815 /nfs/dbraw/zinc/75/18/15/1090751815.db2.gz PGEHEGIGNMIMAE-VQIMIIECSA-N 0 3 324.468 3.053 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCCN(CC2=CCCCC2)[C@H]1C ZINC001486173853 1090773684 /nfs/dbraw/zinc/77/36/84/1090773684.db2.gz NSLHLCCFUSOKRZ-WMZOPIPTSA-N 0 3 302.462 3.115 20 30 DGEDHN CC(C)N(CCN(C)[C@@H](C)c1ccccc1)C(=O)C#CC1CC1 ZINC001486368504 1090809628 /nfs/dbraw/zinc/80/96/28/1090809628.db2.gz QHZPTUMDXCGCHY-KRWDZBQOSA-N 0 3 312.457 3.330 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)COC1CCCCC1)C(C)C ZINC001486370852 1090811333 /nfs/dbraw/zinc/81/13/33/1090811333.db2.gz AOTHTJIFMOMAKZ-UHFFFAOYSA-N 0 3 310.482 3.081 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3cccc(O)c3)C2)c1 ZINC001203863799 1090822479 /nfs/dbraw/zinc/82/24/79/1090822479.db2.gz LSFLMLXWFAFUEN-LJQANCHMSA-N 0 3 308.381 3.307 20 30 DGEDHN N#Cc1ccc(CN2CCC(COc3cccnc3)CC2)cc1 ZINC001203899826 1090833571 /nfs/dbraw/zinc/83/35/71/1090833571.db2.gz DELYCVAPNYCGIM-UHFFFAOYSA-N 0 3 307.397 3.244 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C(C)=C\CC)CC[C@@H]1C(F)(F)F ZINC001486451329 1090839880 /nfs/dbraw/zinc/83/98/80/1090839880.db2.gz MQGTZWDNUXLJHA-PJWHXWNJSA-N 0 3 318.383 3.288 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001128200465 1090902504 /nfs/dbraw/zinc/90/25/04/1090902504.db2.gz VIKHOVWOPWUUTB-UHFFFAOYSA-N 0 3 321.273 3.386 20 30 DGEDHN C=CCOC(=O)N1CCC2(CN(Cc3ccc(C)cc3)C2)CC1 ZINC001204169015 1090912067 /nfs/dbraw/zinc/91/20/67/1090912067.db2.gz FMILRBAYRWLFTE-UHFFFAOYSA-N 0 3 314.429 3.215 20 30 DGEDHN C=CCOC(=O)N1CCCC2(CCN(Cc3ccoc3)CC2)C1 ZINC001204240660 1090932794 /nfs/dbraw/zinc/93/27/94/1090932794.db2.gz CNHMTWPQXGGINX-UHFFFAOYSA-N 0 3 318.417 3.280 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cccc3ccccc32)C1 ZINC001276452536 1090943030 /nfs/dbraw/zinc/94/30/30/1090943030.db2.gz CFTQIBBRMOWADK-INIZCTEOSA-N 0 3 322.452 3.395 20 30 DGEDHN CCCCCCCCOc1ccc(CN(C)C[C@@H](O)CO)cc1 ZINC001204311513 1090947499 /nfs/dbraw/zinc/94/74/99/1090947499.db2.gz HFKZJVSBQKRRFI-GOSISDBHSA-N 0 3 323.477 3.211 20 30 DGEDHN C=C(C)CCC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001128408926 1090956422 /nfs/dbraw/zinc/95/64/22/1090956422.db2.gz LUOVVDDPZASUKN-MRXNPFEDSA-N 0 3 308.372 3.014 20 30 DGEDHN C=C(C)CCC(=O)NCCNCc1cc(C(C)C)ccc1OC ZINC001128408896 1090956651 /nfs/dbraw/zinc/95/66/51/1090956651.db2.gz KPLRDVHSCILVCB-UHFFFAOYSA-N 0 3 318.461 3.381 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001276467620 1090976921 /nfs/dbraw/zinc/97/69/21/1090976921.db2.gz BVQGLBUAKWBTKI-FXAWDEMLSA-N 0 3 324.468 3.196 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)CCNCc2ccccc2C#N)CC1 ZINC001273001922 1090982194 /nfs/dbraw/zinc/98/21/94/1090982194.db2.gz PCZYOVJGGBROST-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3c(F)cccc3C#N)c2)CC1 ZINC001204537714 1090994904 /nfs/dbraw/zinc/99/49/04/1090994904.db2.gz NKGYTWYOHVNTGR-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C#Cc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC001204759294 1091032038 /nfs/dbraw/zinc/03/20/38/1091032038.db2.gz XSBZJVLAQWLMRR-UHFFFAOYSA-N 0 3 305.425 3.159 20 30 DGEDHN C#Cc1ccc(C(=O)NCC2(NCc3ccsc3)CCC2)cc1 ZINC001273133921 1091080925 /nfs/dbraw/zinc/08/09/25/1091080925.db2.gz PQQWRNMCMGIEFT-UHFFFAOYSA-N 0 3 324.449 3.172 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108130918 1091121111 /nfs/dbraw/zinc/12/11/11/1091121111.db2.gz ZBSKEMRHQFLYON-IEBWSBKVSA-N 0 3 322.493 3.295 20 30 DGEDHN COC(=O)c1ccc2c(CN3CCC(C)(C#N)CC3)c[nH]c2c1 ZINC001138267343 1091129604 /nfs/dbraw/zinc/12/96/04/1091129604.db2.gz IHDXWNKUVVJKGN-UHFFFAOYSA-N 0 3 311.385 3.080 20 30 DGEDHN C#CCOc1ccc(CN2CCC3(CC(F)C3)CC2)cc1OC ZINC001138342712 1091147492 /nfs/dbraw/zinc/14/74/92/1091147492.db2.gz BGHGCGFBAULGHZ-UHFFFAOYSA-N 0 3 317.404 3.421 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108147276 1091149643 /nfs/dbraw/zinc/14/96/43/1091149643.db2.gz ZZPZLBBFELBKGR-QFBILLFUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cccs1 ZINC001098855800 1091225459 /nfs/dbraw/zinc/22/54/59/1091225459.db2.gz RHOBNAPHCVKFAN-OAHLLOKOSA-N 0 3 320.502 3.474 20 30 DGEDHN N#Cc1cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)ccc1F ZINC001205513236 1091238250 /nfs/dbraw/zinc/23/82/50/1091238250.db2.gz CMLCUIRSYLMVCM-ZWKOTPCHSA-N 0 3 319.399 3.096 20 30 DGEDHN C=CCCCC(=O)NC[C@]1(C)CN(C[C@@H](C)CC(C)C)CCO1 ZINC001108169547 1091261336 /nfs/dbraw/zinc/26/13/36/1091261336.db2.gz QMJAOMOOKWFWTH-PKOBYXMFSA-N 0 3 324.509 3.232 20 30 DGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCc2cccc(C#N)c2)C1 ZINC001205595198 1091272486 /nfs/dbraw/zinc/27/24/86/1091272486.db2.gz CMJPNBZSHIAAJI-MAUKXSAKSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCN(CC(C)C)CC1 ZINC001138662194 1091278799 /nfs/dbraw/zinc/27/87/99/1091278799.db2.gz QBPZPSWQKLXXDS-UHFFFAOYSA-N 0 3 302.462 3.415 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001138665508 1091281811 /nfs/dbraw/zinc/28/18/11/1091281811.db2.gz NWOCRWHWLYXABU-DOTOQJQBSA-N 0 3 317.429 3.415 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001139029686 1091424847 /nfs/dbraw/zinc/42/48/47/1091424847.db2.gz HBMNHOTUXLXHJE-GOEBONIOSA-N 0 3 303.402 3.025 20 30 DGEDHN N#Cc1cc(-c2ccc([O-])cc2F)ccc1OC1CC[NH2+]CC1 ZINC001206073056 1091480167 /nfs/dbraw/zinc/48/01/67/1091480167.db2.gz MDMIPYCGKBUAMS-UHFFFAOYSA-N 0 3 312.344 3.201 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084350178 1091480212 /nfs/dbraw/zinc/48/02/12/1091480212.db2.gz QHXDIAPOBBNONA-FUMNGEBKSA-N 0 3 324.468 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001084365820 1091481673 /nfs/dbraw/zinc/48/16/73/1091481673.db2.gz RYLLTGQMFCKAKM-KZNAEPCWSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc(C(C)C)s1 ZINC001273220861 1091504443 /nfs/dbraw/zinc/50/44/43/1091504443.db2.gz KGXMCJIAICWYMX-LLVKDONJSA-N 0 3 315.870 3.117 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(Cc4ccccc4C)C[C@H]32)C1 ZINC001084645944 1091525118 /nfs/dbraw/zinc/52/51/18/1091525118.db2.gz LUVNHZYWLVDDOZ-RTBURBONSA-N 0 3 324.468 3.384 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)[C@@H]2C1 ZINC001084680325 1091534606 /nfs/dbraw/zinc/53/46/06/1091534606.db2.gz JXWUVCUDKCTMCY-FQBWVUSXSA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCCC ZINC001098909620 1091537112 /nfs/dbraw/zinc/53/71/12/1091537112.db2.gz BRPOUDNBWWKCTP-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3cc(C)oc3C)[C@@H]2C1 ZINC001084723760 1091548855 /nfs/dbraw/zinc/54/88/55/1091548855.db2.gz XJKIJKKAJMRALA-QGPMSJSTSA-N 0 3 316.445 3.109 20 30 DGEDHN C[C@H]1CC[C@@H](CO)N1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139426267 1091556422 /nfs/dbraw/zinc/55/64/22/1091556422.db2.gz GTJLVUZDZBTMDA-YOEHRIQHSA-N 0 3 323.396 3.091 20 30 DGEDHN Cc1cnc2n1CCC21CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527437 1091586646 /nfs/dbraw/zinc/58/66/46/1091586646.db2.gz BZFIERZTNZMVSH-UHFFFAOYSA-N 0 3 324.403 3.140 20 30 DGEDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC001139530358 1091588486 /nfs/dbraw/zinc/58/84/86/1091588486.db2.gz CZGNRWGEKGDNKW-DZGCQCFKSA-N 0 3 318.392 3.109 20 30 DGEDHN Cc1cc(C)c(NC(=O)N2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001202954455 1091626623 /nfs/dbraw/zinc/62/66/23/1091626623.db2.gz UZYXPZJLDIIENA-CQSZACIVSA-N 0 3 316.426 3.418 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cncs1 ZINC001098932112 1091628919 /nfs/dbraw/zinc/62/89/19/1091628919.db2.gz BRPCWUKFHCADSG-AWEZNQCLSA-N 0 3 321.490 3.330 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3[C@H]4CCCCCC[C@H]34)C[C@@H]21 ZINC001085041282 1091647166 /nfs/dbraw/zinc/64/71/66/1091647166.db2.gz ADVBYKVEOPOMKR-OWSLCNJRSA-N 0 3 316.489 3.312 20 30 DGEDHN CCc1noc([C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC001139725773 1091654427 /nfs/dbraw/zinc/65/44/27/1091654427.db2.gz BSVSDSDCBDPTLU-HNNXBMFYSA-N 0 3 310.401 3.192 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001206545566 1091663831 /nfs/dbraw/zinc/66/38/31/1091663831.db2.gz WFQWFBHFPOFRSX-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C=C)c3ccccc3)C[C@@H]21 ZINC001085099264 1091669410 /nfs/dbraw/zinc/66/94/10/1091669410.db2.gz KTTPIVOAZXXARP-QYZOEREBSA-N 0 3 310.441 3.065 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)C[C@@H]21 ZINC001085103439 1091669453 /nfs/dbraw/zinc/66/94/53/1091669453.db2.gz RBXBFQGZVAFGIA-SQNIBIBYSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CC(c4ccccc4)C3)C[C@@H]21 ZINC001085104656 1091671782 /nfs/dbraw/zinc/67/17/82/1091671782.db2.gz SETYIVFUNWKOTP-OAHAVBBTSA-N 0 3 324.468 3.289 20 30 DGEDHN CCOC(=O)[C@]1(C)CCCCN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139873195 1091698246 /nfs/dbraw/zinc/69/82/46/1091698246.db2.gz DUPNAGXAHYHWSJ-GOSISDBHSA-N 0 3 318.392 3.253 20 30 DGEDHN N#Cc1cc(F)cc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC001139879031 1091699910 /nfs/dbraw/zinc/69/99/10/1091699910.db2.gz FPROFJXDLFODIK-QZTJIDSGSA-N 0 3 321.399 3.266 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]ccc1C1CC1 ZINC001085221419 1091717173 /nfs/dbraw/zinc/71/71/73/1091717173.db2.gz RRLSFDPPTSPGQX-HUUCEWRRSA-N 0 3 321.852 3.275 20 30 DGEDHN C#CC[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001206801098 1091746024 /nfs/dbraw/zinc/74/60/24/1091746024.db2.gz SFVLCCCOZPOWNL-NSHDSACASA-N 0 3 312.291 3.459 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085324617 1091747653 /nfs/dbraw/zinc/74/76/53/1091747653.db2.gz FROQDJVHJYTINM-HWMZRRJGSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1csc(C)c1 ZINC001085363557 1091756882 /nfs/dbraw/zinc/75/68/82/1091756882.db2.gz KDEWZHLQYSJHCG-ZIAGYGMSSA-N 0 3 312.866 3.440 20 30 DGEDHN Cn1cc(CN2CCC3(CCc4ccccc43)CC2)cc1C#N ZINC001207104635 1091846188 /nfs/dbraw/zinc/84/61/88/1091846188.db2.gz UULGIGWGCXSBNJ-UHFFFAOYSA-N 0 3 305.425 3.377 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085610070 1091853997 /nfs/dbraw/zinc/85/39/97/1091853997.db2.gz IMHBVRSZARUKJH-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2nc1C ZINC001085625744 1091861915 /nfs/dbraw/zinc/86/19/15/1091861915.db2.gz YICCYZNYCHWSLL-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC001297373674 1091870998 /nfs/dbraw/zinc/87/09/98/1091870998.db2.gz ZIFCYRIKTFJKTR-GDBMZVCRSA-N 0 3 314.420 3.168 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001085733503 1091903502 /nfs/dbraw/zinc/90/35/02/1091903502.db2.gz HANBLBQHDPMYBK-CMKODMSKSA-N 0 3 312.457 3.073 20 30 DGEDHN CC1=CC[C@H](CCN2CCN(c3cc(C#N)ccn3)CC2)C1(C)C ZINC001207281271 1091907694 /nfs/dbraw/zinc/90/76/94/1091907694.db2.gz YQNNBAQCMSCNRF-GOSISDBHSA-N 0 3 324.472 3.458 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001085779831 1091929538 /nfs/dbraw/zinc/92/95/38/1091929538.db2.gz DNUPLEBLKULMGA-QGZVFWFLSA-N 0 3 317.477 3.490 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785472 1091933861 /nfs/dbraw/zinc/93/38/61/1091933861.db2.gz RCGBQNHMUPMXAJ-HNNXBMFYSA-N 0 3 302.418 3.270 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791622 1091933943 /nfs/dbraw/zinc/93/39/43/1091933943.db2.gz NSMPIESGDXHHKW-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nccc2ccccc21 ZINC001085791053 1091935126 /nfs/dbraw/zinc/93/51/26/1091935126.db2.gz YVWVGGKQOIAOHR-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001085816574 1091954105 /nfs/dbraw/zinc/95/41/05/1091954105.db2.gz AQJWOYDZUJIULM-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN N#Cc1ccc(CC2CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC001140681970 1091955961 /nfs/dbraw/zinc/95/59/61/1091955961.db2.gz IYXCWGYIZZFXFN-UHFFFAOYSA-N 0 3 310.397 3.098 20 30 DGEDHN O=C1C=C2CN(Cc3cc(F)c(Cl)cc3F)CCC2S1 ZINC001140699790 1091962173 /nfs/dbraw/zinc/96/21/73/1091962173.db2.gz BAHHCXUBOZIQNW-CYBMUJFWSA-N 0 3 315.772 3.392 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001207438794 1091969536 /nfs/dbraw/zinc/96/95/36/1091969536.db2.gz XVBPPQJKYARVRK-SJLPKXTDSA-N 0 3 312.457 3.121 20 30 DGEDHN COc1cccc(Cl)c1CN1CCC2SC(=O)C=C2C1 ZINC001140727943 1091977151 /nfs/dbraw/zinc/97/71/51/1091977151.db2.gz DICONTYLEDTSJQ-AWEZNQCLSA-N 0 3 309.818 3.123 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001085865622 1091990683 /nfs/dbraw/zinc/99/06/83/1091990683.db2.gz JFHRFTQJKIOHBJ-BHYGNILZSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001207500729 1091993363 /nfs/dbraw/zinc/99/33/63/1091993363.db2.gz VTICGZPJHQXIAK-MJGOQNOKSA-N 0 3 319.420 3.194 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)cc1Cl ZINC001085877143 1091994144 /nfs/dbraw/zinc/99/41/44/1091994144.db2.gz TXKSLIVEISEAIE-ZDUSSCGKSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001085900654 1092000088 /nfs/dbraw/zinc/00/00/88/1092000088.db2.gz MAFLAGNOGCMBLP-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2sccc2[nH]1 ZINC001085908869 1092005249 /nfs/dbraw/zinc/00/52/49/1092005249.db2.gz USZLOOYFCQMMEG-CYBMUJFWSA-N 0 3 317.458 3.342 20 30 DGEDHN Cc1cccc(CCN2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001207536753 1092014481 /nfs/dbraw/zinc/01/44/81/1092014481.db2.gz OHSVWFJFCRWTQY-UHFFFAOYSA-N 0 3 305.425 3.231 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COCCCCCCCC)C1 ZINC001207560220 1092023291 /nfs/dbraw/zinc/02/32/91/1092023291.db2.gz SPMCHVKTBBDGDE-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN CC/C=C(/C)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207566761 1092024618 /nfs/dbraw/zinc/02/46/18/1092024618.db2.gz VAUKEUDIQBTVRV-UUSOHVMFSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954506 1092043329 /nfs/dbraw/zinc/04/33/29/1092043329.db2.gz CGGFQXOCRRVMAY-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCOCc1ncn2c1CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207619992 1092045677 /nfs/dbraw/zinc/04/56/77/1092045677.db2.gz FZROZEUUXIGUIN-GVDBMIGSSA-N 0 3 313.445 3.004 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nc2ccccc21 ZINC001085957543 1092047654 /nfs/dbraw/zinc/04/76/54/1092047654.db2.gz DMOOWEGODZRLKW-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001207627930 1092048220 /nfs/dbraw/zinc/04/82/20/1092048220.db2.gz CSGJRTNVDCHABJ-HUUCEWRRSA-N 0 3 304.409 3.434 20 30 DGEDHN CNc1ccccc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001207630904 1092051170 /nfs/dbraw/zinc/05/11/70/1092051170.db2.gz IWGPKWFLLSVQKV-KRWDZBQOSA-N 0 3 321.428 3.071 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001207634994 1092052725 /nfs/dbraw/zinc/05/27/25/1092052725.db2.gz HHEUGOZQFTUKHS-CQSZACIVSA-N 0 3 308.372 3.012 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1Cl ZINC001085956887 1092054126 /nfs/dbraw/zinc/05/41/26/1092054126.db2.gz MXUSVUOUUVDQAB-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1csc2c1CCCC2 ZINC001085961439 1092058640 /nfs/dbraw/zinc/05/86/40/1092058640.db2.gz GAPDNKJSYCIBIC-CQSZACIVSA-N 0 3 318.486 3.349 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCN(Cc3csc(Cl)c3)C2)C1=O ZINC001273383519 1092088155 /nfs/dbraw/zinc/08/81/55/1092088155.db2.gz HMZADYJBYGJKAO-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN Cc1ccncc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001141036611 1092115064 /nfs/dbraw/zinc/11/50/64/1092115064.db2.gz ABDFIUPTAHANFC-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001207860144 1092122958 /nfs/dbraw/zinc/12/29/58/1092122958.db2.gz HUFMVOSTPGKYSK-QGZVFWFLSA-N 0 3 316.420 3.100 20 30 DGEDHN COC(C)(C)[C@@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141113792 1092141252 /nfs/dbraw/zinc/14/12/52/1092141252.db2.gz ABAQPRXSKURPCF-NSHDSACASA-N 0 3 313.854 3.245 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001086140137 1092140641 /nfs/dbraw/zinc/14/06/41/1092140641.db2.gz UZMZEMYQCOVJCP-BETUJISGSA-N 0 3 317.820 3.018 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207915723 1092142957 /nfs/dbraw/zinc/14/29/57/1092142957.db2.gz YXGJFHOXNNQCRH-PKOBYXMFSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC(C)(F)F)C12CCC2 ZINC001203095866 1092143638 /nfs/dbraw/zinc/14/36/38/1092143638.db2.gz VBFOIWLCPAFBGY-NWDGAFQWSA-N 0 3 320.811 3.191 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001086210406 1092162826 /nfs/dbraw/zinc/16/28/26/1092162826.db2.gz DCOQPAAEJKCORX-BJHJDKERSA-N 0 3 320.811 3.049 20 30 DGEDHN CC(C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1)=C1CCC1 ZINC001207998635 1092172187 /nfs/dbraw/zinc/17/21/87/1092172187.db2.gz NDRIEBOWAFSHFU-FQEVSTJZSA-N 0 3 322.452 3.119 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001086237800 1092174478 /nfs/dbraw/zinc/17/44/78/1092174478.db2.gz RKOSMBPCDVXMNJ-JONQDZQNSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2ccnc(Cl)c2)CC1 ZINC001491579175 1092181335 /nfs/dbraw/zinc/18/13/35/1092181335.db2.gz KRWYZTKIKMLZDK-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3[nH]ccc3s2)C1 ZINC001086261200 1092181998 /nfs/dbraw/zinc/18/19/98/1092181998.db2.gz OHFFJZCLVGERHN-PHIMTYICSA-N 0 3 323.849 3.080 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2sccc2C2CC2)C1 ZINC001086266679 1092184724 /nfs/dbraw/zinc/18/47/24/1092184724.db2.gz PSIUXIMCJQKLSD-BJHJDKERSA-N 0 3 324.877 3.476 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001086268256 1092186336 /nfs/dbraw/zinc/18/63/36/1092186336.db2.gz UWBPCHKLRYJOTL-XBXGTLAGSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2ccccc2CC)C1 ZINC001141229621 1092187674 /nfs/dbraw/zinc/18/76/74/1092187674.db2.gz IZVAZYZUWLOJJJ-KRWDZBQOSA-N 0 3 302.418 3.126 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001086279075 1092189796 /nfs/dbraw/zinc/18/97/96/1092189796.db2.gz SRMFIVJYMLAUGN-WZCNAGQFSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001086281971 1092191344 /nfs/dbraw/zinc/19/13/44/1092191344.db2.gz ODZRLMMNLKGXDG-MWABVPJASA-N 0 3 324.896 3.440 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCCC3CC3)C2)CC1 ZINC001316667865 1092200462 /nfs/dbraw/zinc/20/04/62/1092200462.db2.gz ASBRFDIUFUTPKZ-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(CCC/C=C\CC)CC2 ZINC001208135961 1092211540 /nfs/dbraw/zinc/21/15/40/1092211540.db2.gz PAYMZRNZRASITN-SREVYHEPSA-N 0 3 303.450 3.227 20 30 DGEDHN CC(C)CCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001273424263 1092219712 /nfs/dbraw/zinc/21/97/12/1092219712.db2.gz MHTPWWUZCSXHOS-SFHVURJKSA-N 0 3 305.466 3.183 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC(CC)CC)C2)CC1 ZINC001316668617 1092223586 /nfs/dbraw/zinc/22/35/86/1092223586.db2.gz GSZTXKGESWNGJH-INIZCTEOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2csc(C)c2C)C1 ZINC001086376085 1092226875 /nfs/dbraw/zinc/22/68/75/1092226875.db2.gz UCZHLIJCGHMISU-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001086375302 1092227420 /nfs/dbraw/zinc/22/74/20/1092227420.db2.gz JBLVFUHITSLFFB-JYJNAYRXSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(C(F)F)cc2)C1=O ZINC001273426655 1092231215 /nfs/dbraw/zinc/23/12/15/1092231215.db2.gz VSCXFLAKCWJEBN-GOSISDBHSA-N 0 3 320.383 3.377 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001491832891 1092246707 /nfs/dbraw/zinc/24/67/07/1092246707.db2.gz VPMSIEINXCRGJP-SFPHSEHVSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2CCc2ccc(Cl)cc2)C1=O ZINC001273432568 1092263754 /nfs/dbraw/zinc/26/37/54/1092263754.db2.gz WHBSUTJNNIIQRM-SFHVURJKSA-N 0 3 318.848 3.135 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H](NCc2nc(C)cs2)C1 ZINC001491880647 1092271454 /nfs/dbraw/zinc/27/14/54/1092271454.db2.gz AHGSAJFUSIVENL-LSDHHAIUSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001086497055 1092286589 /nfs/dbraw/zinc/28/65/89/1092286589.db2.gz UHYWIVBEECSJMF-HOMQSWHASA-N 0 3 319.257 3.252 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001491953540 1092320716 /nfs/dbraw/zinc/32/07/16/1092320716.db2.gz BRYYQKDOPZUXQW-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN CC[C@@H](F)CN1CCC2(C[C@@H](C)N(C(=O)C#CC(C)C)C2)CC1 ZINC001316669910 1092321873 /nfs/dbraw/zinc/32/18/73/1092321873.db2.gz MISSYIMMKJIXAY-IAGOWNOFSA-N 0 3 322.468 3.097 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001491966054 1092329867 /nfs/dbraw/zinc/32/98/67/1092329867.db2.gz YCWUFEQXXOQRTI-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C[C@@H](C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1)C1CCC1 ZINC001208401045 1092343631 /nfs/dbraw/zinc/34/36/31/1092343631.db2.gz RQCHOZJDWVYINP-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@H]1C[C@@H](NCc2cc(C#N)cs2)CN1C(=O)OC(C)(C)C ZINC001168839339 1092392134 /nfs/dbraw/zinc/39/21/34/1092392134.db2.gz JYTWALOHXHYGTE-WCQYABFASA-N 0 3 321.446 3.107 20 30 DGEDHN COC(=O)C1(C#N)CCN(CCC(C)(C)c2ccccc2)CC1 ZINC001208673616 1092449737 /nfs/dbraw/zinc/44/97/37/1092449737.db2.gz SBDCNGLMEIVXKY-UHFFFAOYSA-N 0 3 314.429 3.133 20 30 DGEDHN C=CCN1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001208691755 1092460418 /nfs/dbraw/zinc/46/04/18/1092460418.db2.gz XRSDAYYJVHMEHL-UHFFFAOYSA-N 0 3 312.379 3.442 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2cccc(C)c2s1 ZINC001492309274 1092471220 /nfs/dbraw/zinc/47/12/20/1092471220.db2.gz QUPLSLRLGLPGOQ-UHFFFAOYSA-N 0 3 302.443 3.447 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](CNCc1sccc1Cl)C1CC1 ZINC001276584547 1092480557 /nfs/dbraw/zinc/48/05/57/1092480557.db2.gz WVVYXZOUOZGNDF-AWEZNQCLSA-N 0 3 324.877 3.045 20 30 DGEDHN Cc1cccnc1N1CCN(CCCc2ccc(C#N)cc2)CC1 ZINC001208860544 1092548738 /nfs/dbraw/zinc/54/87/38/1092548738.db2.gz OTHYDCMDYZEYTK-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN Cc1nc([C@@H]2CCCN(Cc3c[nH]c4cc(C#N)ccc34)C2)no1 ZINC001142912175 1092584122 /nfs/dbraw/zinc/58/41/22/1092584122.db2.gz WZRBJAXHMOHJHC-CQSZACIVSA-N 0 3 321.384 3.111 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCc1ccc(C#N)cc1 ZINC001208926682 1092590895 /nfs/dbraw/zinc/59/08/95/1092590895.db2.gz YFMYKFSCRJCMMI-GOSISDBHSA-N 0 3 319.452 3.307 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(C)CCC(C)CC1 ZINC001276405141 1092655946 /nfs/dbraw/zinc/65/59/46/1092655946.db2.gz ODACBOMBFGLKCT-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209192859 1092688999 /nfs/dbraw/zinc/68/89/99/1092688999.db2.gz CREPXQRWQPAFMW-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCCC[C@@H](C)CC)C1 ZINC001149780375 1092730740 /nfs/dbraw/zinc/73/07/40/1092730740.db2.gz FVAMCXDGNKFJMI-ZWKOTPCHSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001329592366 1092769779 /nfs/dbraw/zinc/76/97/79/1092769779.db2.gz NTIXLUSTFOYAPG-WDEREUQCSA-N 0 3 300.855 3.128 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001150184927 1092761352 /nfs/dbraw/zinc/76/13/52/1092761352.db2.gz FSSHCEBMJRPIBU-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCCCCCN1CCn2c(CN(C)C(C)C)cnc2C1 ZINC001209424240 1092769064 /nfs/dbraw/zinc/76/90/64/1092769064.db2.gz PANFKWDSTBEYJS-UHFFFAOYSA-N 0 3 304.482 3.285 20 30 DGEDHN C=CCCCCCCN1CCn2cc(CN3CCCC3)nc2C1 ZINC001209435021 1092772872 /nfs/dbraw/zinc/77/28/72/1092772872.db2.gz CKHXSCJBRTZYIV-UHFFFAOYSA-N 0 3 316.493 3.431 20 30 DGEDHN C=CCCCCCCN1CCN(CCc2ccccn2)CC1 ZINC001209435409 1092773202 /nfs/dbraw/zinc/77/32/02/1092773202.db2.gz CHNXEZFQQGXPRD-UHFFFAOYSA-N 0 3 301.478 3.378 20 30 DGEDHN CC[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC001209459939 1092783065 /nfs/dbraw/zinc/78/30/65/1092783065.db2.gz CXMKGDJDVHZKMS-INIZCTEOSA-N 0 3 317.433 3.293 20 30 DGEDHN CCCCCCCCCC(=O)NC[C@H]1CN(CC)CCCO1 ZINC001150641034 1092802940 /nfs/dbraw/zinc/80/29/40/1092802940.db2.gz UQLRFGKKNAXZCM-KRWDZBQOSA-N 0 3 312.498 3.354 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001150744607 1092816933 /nfs/dbraw/zinc/81/69/33/1092816933.db2.gz IAIYFSVRDPDKQZ-ZWKOTPCHSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001150771380 1092821144 /nfs/dbraw/zinc/82/11/44/1092821144.db2.gz JZLOXJASFYVPTO-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN N#C[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC001209675621 1092873364 /nfs/dbraw/zinc/87/33/64/1092873364.db2.gz GFELCQMMVOULSW-INIZCTEOSA-N 0 3 311.429 3.048 20 30 DGEDHN CCCCCCCN1C[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC001209690329 1092879513 /nfs/dbraw/zinc/87/95/13/1092879513.db2.gz HMYOGJLWAHGPEO-ZIAGYGMSSA-N 0 3 309.479 3.164 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001210796683 1093284558 /nfs/dbraw/zinc/28/45/58/1093284558.db2.gz ZFSLPXCDRLOLQS-LZLYRXPVSA-N 0 3 300.446 3.193 20 30 DGEDHN C[C@H](CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1)C1CC1 ZINC001211278739 1093440801 /nfs/dbraw/zinc/44/08/01/1093440801.db2.gz UOXPQGPGNXWCTF-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN N#Cc1cc(F)cc(-c2noc(C3CCN(C4CC4)CC3)n2)c1 ZINC001211432666 1093492749 /nfs/dbraw/zinc/49/27/49/1093492749.db2.gz UYTZABOWNRGZNY-UHFFFAOYSA-N 0 3 312.348 3.089 20 30 DGEDHN Cc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)ccc1C#N ZINC001211432523 1093493300 /nfs/dbraw/zinc/49/33/00/1093493300.db2.gz KQJMEFXICGHZLZ-UHFFFAOYSA-N 0 3 308.385 3.259 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213314637 1093564497 /nfs/dbraw/zinc/56/44/97/1093564497.db2.gz FSXMLXRERQQRDJ-KZNAEPCWSA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(CCC)CC2)[C@H](OC)C1 ZINC001213401394 1093580732 /nfs/dbraw/zinc/58/07/32/1093580732.db2.gz JABKWPBNVHJFNB-IAGOWNOFSA-N 0 3 324.509 3.353 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)[C@H](OC)C1 ZINC001213477734 1093593003 /nfs/dbraw/zinc/59/30/03/1093593003.db2.gz YGJDZENSCYPUQO-RCCFBDPRSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@H](OC)C1 ZINC001213908202 1093678556 /nfs/dbraw/zinc/67/85/56/1093678556.db2.gz IJKVMSPGGWTIKX-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001214524714 1093791103 /nfs/dbraw/zinc/79/11/03/1093791103.db2.gz LLSLITUHJKWODY-RHSMWYFYSA-N 0 3 318.848 3.080 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215376613 1093971464 /nfs/dbraw/zinc/97/14/64/1093971464.db2.gz PHTKFIHTSFROGT-JHJVBQTASA-N 0 3 319.276 3.344 20 30 DGEDHN Cn1ncc(C#N)c1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215710293 1094037694 /nfs/dbraw/zinc/03/76/94/1094037694.db2.gz RJEAZDATAHIYDG-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN Cn1ncc(Nc2ccc(CN3CCCCC3)c(F)c2)c1C#N ZINC001215711497 1094038221 /nfs/dbraw/zinc/03/82/21/1094038221.db2.gz VIJPKLSYCOQDPE-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN CC(C)CCCCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001134785978 1094287837 /nfs/dbraw/zinc/28/78/37/1094287837.db2.gz LKOMNEGKBMXRJK-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C[C@@H](c1nccs1)N1CCN(CC2CCC(C#N)CC2)CC1 ZINC001119817193 1094294368 /nfs/dbraw/zinc/29/43/68/1094294368.db2.gz INNYDXFZPCHERB-FHERZECASA-N 0 3 318.490 3.152 20 30 DGEDHN C=C(C)[C@H](NC[C@@H]1CCC2(COC2)O1)c1ccc(F)c(F)c1 ZINC001119823737 1094294900 /nfs/dbraw/zinc/29/49/00/1094294900.db2.gz UPWQJYQNKJJTFF-BBRMVZONSA-N 0 3 309.356 3.120 20 30 DGEDHN CCCCC[C@H](C)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001134824170 1094303839 /nfs/dbraw/zinc/30/38/39/1094303839.db2.gz NHCDLMUZSMORHZ-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN C[C@H]([C@H](C)C(=O)NCCNCc1ccc(C#N)cc1)C(C)(C)C ZINC001135178659 1094430421 /nfs/dbraw/zinc/43/04/21/1094430421.db2.gz ZBDRUDVLYJMGFW-LSDHHAIUSA-N 0 3 315.461 3.082 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccs1 ZINC001135187764 1094436099 /nfs/dbraw/zinc/43/60/99/1094436099.db2.gz ARWYRWDIIIDPAY-GJZGRUSLSA-N 0 3 321.490 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135236139 1094454912 /nfs/dbraw/zinc/45/49/12/1094454912.db2.gz QMXVPFRMAVUCSL-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN Cc1cc(-c2noc(-c3ccc4[nH]c(N)nc4c3)n2)ccc1C#N ZINC001217665435 1094468273 /nfs/dbraw/zinc/46/82/73/1094468273.db2.gz SSESTVNHCDXESL-UHFFFAOYSA-N 0 3 316.324 3.042 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)CC)[C@H]2C1 ZINC001217744526 1094488877 /nfs/dbraw/zinc/48/88/77/1094488877.db2.gz WRNOZSGRNNKMOZ-OKZBNKHCSA-N 0 3 324.509 3.305 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)C(C)(C)CC ZINC001135329595 1094491590 /nfs/dbraw/zinc/49/15/90/1094491590.db2.gz GKIHYZYWYXPBNZ-VXGBXAGGSA-N 0 3 319.287 3.204 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001135357700 1094501147 /nfs/dbraw/zinc/50/11/47/1094501147.db2.gz GYUUENGBQVNYKW-QWHCGFSZSA-N 0 3 323.506 3.489 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135358023 1094502517 /nfs/dbraw/zinc/50/25/17/1094502517.db2.gz LESNWIWIXRKGGE-HOTGVXAUSA-N 0 3 313.445 3.287 20 30 DGEDHN C=CCCC1(C(=O)N[C@H](C)C[C@H](C)NCc2nccs2)CC1 ZINC001135382918 1094509954 /nfs/dbraw/zinc/50/99/54/1094509954.db2.gz OZOVZHXVVMQZGL-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2nccs2)CC1 ZINC001135382916 1094510230 /nfs/dbraw/zinc/51/02/30/1094510230.db2.gz OZOVZHXVVMQZGL-KBPBESRZSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2cnc(C)o2)CCC1 ZINC001135395352 1094515040 /nfs/dbraw/zinc/51/50/40/1094515040.db2.gz PNDQYPLIENDWEZ-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN O=C(/C=C/c1ccccc1)c1ccccc1O[C@H]1CNC[C@@H]1F ZINC001218015413 1094560755 /nfs/dbraw/zinc/56/07/55/1094560755.db2.gz RTHKFBHBXJVDNC-YPTLYQBQSA-N 0 3 311.356 3.271 20 30 DGEDHN CCCCCC[C@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001135548025 1094573175 /nfs/dbraw/zinc/57/31/75/1094573175.db2.gz QKHPZKHIFNALPP-AWEZNQCLSA-N 0 3 321.490 3.432 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nccs1 ZINC001135560169 1094576872 /nfs/dbraw/zinc/57/68/72/1094576872.db2.gz CIGSSVLQDAVOJZ-CHWSQXEVSA-N 0 3 309.479 3.118 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)co2)C1 ZINC001103350158 1094593343 /nfs/dbraw/zinc/59/33/43/1094593343.db2.gz HNTAOINWGZWRAS-TZMCWYRMSA-N 0 3 310.825 3.028 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC001135612471 1094599509 /nfs/dbraw/zinc/59/95/09/1094599509.db2.gz AUVSBSYPQPSOCX-FQEVSTJZSA-N 0 3 318.420 3.235 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)c2ccco2)C1 ZINC001103429008 1094625414 /nfs/dbraw/zinc/62/54/14/1094625414.db2.gz AHEOFOADWNTUET-VHDGCEQUSA-N 0 3 324.852 3.210 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2CCCCCC2)CC1 ZINC001159538953 1094641396 /nfs/dbraw/zinc/64/13/96/1094641396.db2.gz UGMKXNCDBHNBEA-UHFFFAOYSA-N 0 3 302.462 3.119 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001135719211 1094648890 /nfs/dbraw/zinc/64/88/90/1094648890.db2.gz YWJMYTJXYRZMGV-FQEVSTJZSA-N 0 3 318.420 3.235 20 30 DGEDHN C=C1CC[NH2+]C[C@H]1Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001218207888 1094660380 /nfs/dbraw/zinc/66/03/80/1094660380.db2.gz LPEXOJUMOBXGEI-LJQANCHMSA-N 0 3 323.392 3.229 20 30 DGEDHN CCCCCCC[C@@H](C)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218224229 1094664488 /nfs/dbraw/zinc/66/44/88/1094664488.db2.gz SKGHOZUODNNYEO-PBHICJAKSA-N 0 3 306.450 3.170 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001086780915 1094681007 /nfs/dbraw/zinc/68/10/07/1094681007.db2.gz SGNUYWQHVDHZOC-UONOGXRCSA-N 0 3 323.868 3.208 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001135842804 1094706550 /nfs/dbraw/zinc/70/65/50/1094706550.db2.gz CEGJAMRGFYWGPC-GOSISDBHSA-N 0 3 319.424 3.120 20 30 DGEDHN CCC[C@](C)(CC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001135843655 1094707693 /nfs/dbraw/zinc/70/76/93/1094707693.db2.gz WUCGPUOUMZNXKY-SFHVURJKSA-N 0 3 319.424 3.120 20 30 DGEDHN N#CC1(CN[C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170856402 1094708708 /nfs/dbraw/zinc/70/87/08/1094708708.db2.gz MCZSNLCPPATUPX-CQSZACIVSA-N 0 3 305.219 3.200 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@@H](CC)CCCC)[C@H]2C1 ZINC001218332440 1094722220 /nfs/dbraw/zinc/72/22/20/1094722220.db2.gz IVMDEKRJOODDLI-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)C[C@H](Oc1nc2onc(C)c2c2c1CNCC2)C(=C)C ZINC001218436467 1094773832 /nfs/dbraw/zinc/77/38/32/1094773832.db2.gz NCAKEAWDJNXRQY-HNNXBMFYSA-N 0 3 313.401 3.467 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCCCC)C[C@H]1C ZINC001103887802 1094788390 /nfs/dbraw/zinc/78/83/90/1094788390.db2.gz OEHIDKNADQNICZ-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C ZINC001103887703 1094788591 /nfs/dbraw/zinc/78/85/91/1094788591.db2.gz JIVPHVBJXMFBOF-TZMCWYRMSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC001121867923 1094800768 /nfs/dbraw/zinc/80/07/68/1094800768.db2.gz JGHCYUJYWPKPLY-CQSZACIVSA-N 0 3 321.446 3.082 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1nc2ccc(F)cc2o1 ZINC001218497539 1094822312 /nfs/dbraw/zinc/82/23/12/1094822312.db2.gz OJTHPNCXTXQMDU-LBPRGKRZSA-N 0 3 305.353 3.369 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCO[C@@H]2CN(CCCCCC)C[C@@H]21 ZINC001218517771 1094826651 /nfs/dbraw/zinc/82/66/51/1094826651.db2.gz POLUZDXSMFORLU-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)[C@H](C)CC)C2 ZINC001121975067 1094853675 /nfs/dbraw/zinc/85/36/75/1094853675.db2.gz KWHGESDQYRHBMA-MPDRENOPSA-N 0 3 312.885 3.438 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCCCCC(C)C)[C@H]2C1 ZINC001218736686 1094858552 /nfs/dbraw/zinc/85/85/52/1094858552.db2.gz AIGFZJAABALPBE-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC001121989989 1094860704 /nfs/dbraw/zinc/86/07/04/1094860704.db2.gz XKCMRUQNQCZVGF-MRXNPFEDSA-N 0 3 312.417 3.316 20 30 DGEDHN N=C(N[C@@H]1CCc2cccc(Cl)c2C1)c1ccc(F)cn1 ZINC001170902819 1094900774 /nfs/dbraw/zinc/90/07/74/1094900774.db2.gz SQPSTQZAAUOMMH-GFCCVEGCSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2[nH]c(=O)ccc12 ZINC001218969531 1094915681 /nfs/dbraw/zinc/91/56/81/1094915681.db2.gz IBXBYLULTDHVRD-AWEZNQCLSA-N 0 3 313.401 3.343 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H](CC)CCCCC)[C@H]2C1 ZINC001219045297 1094933029 /nfs/dbraw/zinc/93/30/29/1094933029.db2.gz ABHYGCQTRHJAJV-FGTMMUONSA-N 0 3 322.493 3.081 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001122291280 1094944535 /nfs/dbraw/zinc/94/45/35/1094944535.db2.gz PFHJRPPJPSGACN-KSZLIROESA-N 0 3 313.445 3.240 20 30 DGEDHN C#CCCCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2 ZINC001111729867 1094952627 /nfs/dbraw/zinc/95/26/27/1094952627.db2.gz IKOYLRZCKZRAKZ-WMZOPIPTSA-N 0 3 316.470 3.022 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCCC(C)(C)C)C1 ZINC001111757577 1094957711 /nfs/dbraw/zinc/95/77/11/1094957711.db2.gz GKWODHVYIXYRIB-LPHOPBHVSA-N 0 3 304.478 3.197 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCC(CC2CCCCC2)CC1 ZINC001122365467 1094957932 /nfs/dbraw/zinc/95/79/32/1094957932.db2.gz YXVIGPSKPDBQNN-KRWDZBQOSA-N 0 3 305.466 3.217 20 30 DGEDHN C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H](N)CC2CCC2)c1 ZINC001219310833 1094961106 /nfs/dbraw/zinc/96/11/06/1094961106.db2.gz OQHGVVSYGYOIPP-KRWDZBQOSA-N 0 3 314.505 3.372 20 30 DGEDHN N#C[C@H](NC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1)c1ccccc1 ZINC001219557619 1094988591 /nfs/dbraw/zinc/98/85/91/1094988591.db2.gz BTLKFGYDWVTQMY-OTWHNJEPSA-N 0 3 319.408 3.251 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001111892524 1095005506 /nfs/dbraw/zinc/00/55/06/1095005506.db2.gz UHYHBFMEXNULIC-CUWPLCDZSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220132517 1095057446 /nfs/dbraw/zinc/05/74/46/1095057446.db2.gz MFDVFVDNMFIRKW-KURKYZTESA-N 0 3 324.509 3.111 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(CC)CCCC2)[C@@H](O)C1 ZINC001220661779 1095134596 /nfs/dbraw/zinc/13/45/96/1095134596.db2.gz BNYUEAYIKPJLBI-SJORKVTESA-N 0 3 324.509 3.089 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@@](C)(CC)CCCCCC)[C@@H](O)C1 ZINC001221025541 1095188638 /nfs/dbraw/zinc/18/86/38/1095188638.db2.gz WDHXBNGILYBMKE-AOIWGVFYSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001115414144 1095213116 /nfs/dbraw/zinc/21/31/16/1095213116.db2.gz LELBJCVRRITJDL-UHFFFAOYSA-N 0 3 316.445 3.381 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001221225899 1095214401 /nfs/dbraw/zinc/21/44/01/1095214401.db2.gz NKVWRUXZHGUOLV-ZIAGYGMSSA-N 0 3 302.409 3.145 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2oc(C)nc2C)CCCCC1 ZINC001115442986 1095223170 /nfs/dbraw/zinc/22/31/70/1095223170.db2.gz YTPICVXHZWBTHF-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)[C@@H](C)SC)[C@@H]2C1 ZINC001221296728 1095238602 /nfs/dbraw/zinc/23/86/02/1095238602.db2.gz YONRIDGETRJWHG-BZUAXINKSA-N 0 3 312.523 3.241 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCSc1ccccc1 ZINC001123337190 1095246420 /nfs/dbraw/zinc/24/64/20/1095246420.db2.gz OIEDTRIOERTVQD-GFCCVEGCSA-N 0 3 319.817 3.432 20 30 DGEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)[C@H](CC)SC)[C@@H]2C1 ZINC001221480566 1095279825 /nfs/dbraw/zinc/27/98/25/1095279825.db2.gz OSMGRCZWEQQSRC-ZACQAIPSSA-N 0 3 324.534 3.407 20 30 DGEDHN Cc1ccccc1CN1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221536460 1095297026 /nfs/dbraw/zinc/29/70/26/1095297026.db2.gz PJABGXOQCBLCRK-RTBURBONSA-N 0 3 324.468 3.077 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@H](F)C2)CCCCC1 ZINC001115694098 1095336933 /nfs/dbraw/zinc/33/69/33/1095336933.db2.gz NZOTXCJCXXQBDK-KGLIPLIRSA-N 0 3 316.848 3.286 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccnc(NC(=O)OC(C)(C)C)c2)C1 ZINC001143693954 1095344943 /nfs/dbraw/zinc/34/49/43/1095344943.db2.gz XPODUXPDZBPVIP-AWEZNQCLSA-N 0 3 315.417 3.274 20 30 DGEDHN C=CC1(CC(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)CCCCC1 ZINC001221867174 1095377977 /nfs/dbraw/zinc/37/79/77/1095377977.db2.gz ABGDGYKDHJEJDV-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@H]2CCN(C[C@H](C)OC)C[C@H]21 ZINC001221974015 1095402967 /nfs/dbraw/zinc/40/29/67/1095402967.db2.gz WDMMEKNDBGCRNE-RCCFBDPRSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001221985945 1095405179 /nfs/dbraw/zinc/40/51/79/1095405179.db2.gz HFZGBHVMWKIEPE-CHWSQXEVSA-N 0 3 324.371 3.330 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21)c1ccccc1 ZINC001222037841 1095414497 /nfs/dbraw/zinc/41/44/97/1095414497.db2.gz DENSOZMWNCERJC-MISYRCLQSA-N 0 3 324.468 3.455 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H]2CCN(CCOCCCC)C2)CC1 ZINC001494847273 1095509480 /nfs/dbraw/zinc/50/94/80/1095509480.db2.gz MQAIWWLSMQDXEX-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN Cc1ccc(NC(=O)CC#Cc2ccccc2)c(CN(C)C)c1 ZINC001116493235 1095576403 /nfs/dbraw/zinc/57/64/03/1095576403.db2.gz LGXFEVRWMISTNX-UHFFFAOYSA-N 0 3 306.409 3.437 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)n1nc(-c2ccncc2)cc1CN ZINC001171192239 1095689131 /nfs/dbraw/zinc/68/91/31/1095689131.db2.gz LWACLMMLAMCLOA-AWEZNQCLSA-N 0 3 317.396 3.079 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(OC)cc2C#N)CC1 ZINC001137703548 1095715024 /nfs/dbraw/zinc/71/50/24/1095715024.db2.gz OGIFEHXWQJHEBG-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3ccc(OC)cn3)C2)cc1 ZINC001144581327 1095716586 /nfs/dbraw/zinc/71/65/86/1095716586.db2.gz QAMJPHJCRATCRR-LJQANCHMSA-N 0 3 322.408 3.115 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CCN(C[C@@H](F)CC)[C@H]2C1 ZINC001222752093 1095742216 /nfs/dbraw/zinc/74/22/16/1095742216.db2.gz VFFAFSVKDZFBOG-NJAFHUGGSA-N 0 3 322.468 3.426 20 30 DGEDHN O=C1C=C2CN(Cc3cc(F)c(F)cc3Cl)CCC2S1 ZINC001144722790 1095790495 /nfs/dbraw/zinc/79/04/95/1095790495.db2.gz CFOIOPPWTCVUQR-CYBMUJFWSA-N 0 3 315.772 3.392 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC001339985979 1095800637 /nfs/dbraw/zinc/80/06/37/1095800637.db2.gz NOOAAUVEOHYOSQ-AWEZNQCLSA-N 0 3 304.438 3.090 20 30 DGEDHN CCCCCCC[C@@H](C)CNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001339996106 1095803451 /nfs/dbraw/zinc/80/34/51/1095803451.db2.gz NRCJTWNUNOTJJZ-CABCVRRESA-N 0 3 320.481 3.403 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2coc(C(F)F)c2)C1 ZINC001091202801 1095808991 /nfs/dbraw/zinc/80/89/91/1095808991.db2.gz IJHUZYXNOHJDDW-UHFFFAOYSA-N 0 3 318.751 3.068 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001091232174 1095834826 /nfs/dbraw/zinc/83/48/26/1095834826.db2.gz IHQVLYOVRMRZFM-UHFFFAOYSA-N 0 3 321.852 3.133 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC001340074970 1095848299 /nfs/dbraw/zinc/84/82/99/1095848299.db2.gz JVXUZPRNUGFPCE-INIZCTEOSA-N 0 3 301.434 3.034 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001091347635 1095906121 /nfs/dbraw/zinc/90/61/21/1095906121.db2.gz YMIZCGMVKUOWAM-UHFFFAOYSA-N 0 3 318.751 3.068 20 30 DGEDHN C=C(C)CCC(=O)NCC1CCN(Cc2cccnc2C)CC1 ZINC001223352513 1095945737 /nfs/dbraw/zinc/94/57/37/1095945737.db2.gz FNNCCSPJXYHWHT-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCCCCCC1 ZINC001340567956 1095978665 /nfs/dbraw/zinc/97/86/65/1095978665.db2.gz LVHMOIMOYGLTHH-MRXNPFEDSA-N 0 3 317.481 3.044 20 30 DGEDHN CC[C@@H](CC#N)N1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001246807850 1095993533 /nfs/dbraw/zinc/99/35/33/1095993533.db2.gz UBCFGMQMKLLMTC-LSDHHAIUSA-N 0 3 322.250 3.088 20 30 DGEDHN N#Cc1ccc(CCOC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC001118459872 1096015290 /nfs/dbraw/zinc/01/52/90/1096015290.db2.gz GQHSVQXUQVOCMO-GOSISDBHSA-N 0 3 312.413 3.051 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CC2(C)CCCCC2)CC1 ZINC001223787982 1096065124 /nfs/dbraw/zinc/06/51/24/1096065124.db2.gz IKOALKDULNKYRC-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cnn(C(F)F)c1 ZINC001340955508 1096079422 /nfs/dbraw/zinc/07/94/22/1096079422.db2.gz BGOWMDHDZXDHOJ-LBPRGKRZSA-N 0 3 302.369 3.295 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H](CC)CCCCCC)CC1 ZINC001224051376 1096123482 /nfs/dbraw/zinc/12/34/82/1096123482.db2.gz UFRGLJFLWGAGNS-GOSISDBHSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2c1OCCNC2 ZINC001341337283 1096157848 /nfs/dbraw/zinc/15/78/48/1096157848.db2.gz OOSGPIHLJMBUJW-PBHICJAKSA-N 0 3 314.429 3.033 20 30 DGEDHN C=CCn1cc2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc2n1 ZINC001341387201 1096167590 /nfs/dbraw/zinc/16/75/90/1096167590.db2.gz WRPUZSAMZJJIDX-KRWDZBQOSA-N 0 3 312.417 3.068 20 30 DGEDHN C=CCCCC(=O)NCC1CCN(Cc2cnccc2C)CC1 ZINC001224273115 1096177718 /nfs/dbraw/zinc/17/77/18/1096177718.db2.gz QMIOLYZUTIIHMA-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCCC(=O)N1CC2(C1)CCN([C@H](C)c1cccc(F)c1)C2 ZINC001147188358 1096180002 /nfs/dbraw/zinc/18/00/02/1096180002.db2.gz XTUBGWGVBYFATJ-OAHLLOKOSA-N 0 3 316.420 3.387 20 30 DGEDHN Cc1ncsc1CN1CCC2(CN(c3ccc(C#N)cc3)C2)C1 ZINC001276960806 1096180213 /nfs/dbraw/zinc/18/02/13/1096180213.db2.gz SIPOFKYOEFNOKU-UHFFFAOYSA-N 0 3 324.453 3.036 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccccc1Cl ZINC001276962971 1096184734 /nfs/dbraw/zinc/18/47/34/1096184734.db2.gz CPIKFAWSZQPAMA-HNNXBMFYSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001224386493 1096200972 /nfs/dbraw/zinc/20/09/72/1096200972.db2.gz QJRORMUPXGAACE-LJQANCHMSA-N 0 3 315.461 3.012 20 30 DGEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC001119606117 1096231928 /nfs/dbraw/zinc/23/19/28/1096231928.db2.gz JTEVOUMVYZYSLK-SOVGHPHASA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1ccc(C)s1 ZINC001276985722 1096247597 /nfs/dbraw/zinc/24/75/97/1096247597.db2.gz HYCOZJSUEJOJAO-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN C=C(C)CCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001147646843 1096250779 /nfs/dbraw/zinc/25/07/79/1096250779.db2.gz GGKMJAWVLQUKMG-UHFFFAOYSA-N 0 3 304.459 3.139 20 30 DGEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@H](O)CC#N ZINC001119736400 1096253207 /nfs/dbraw/zinc/25/32/07/1096253207.db2.gz YWHRMKAPTORCSK-SWLSCSKDSA-N 0 3 315.442 3.352 20 30 DGEDHN CCCCCC[C@@H](F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001147792061 1096272699 /nfs/dbraw/zinc/27/26/99/1096272699.db2.gz YHSONSQHLWBUIM-QGZVFWFLSA-N 0 3 319.424 3.073 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC/C=C/c3ccccc3)C2)C1 ZINC001148298731 1096342789 /nfs/dbraw/zinc/34/27/89/1096342789.db2.gz TXBKCIDYULJZJV-UXBLZVDNSA-N 0 3 310.441 3.200 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](F)CCCCCC)CC1 ZINC001225163163 1096357099 /nfs/dbraw/zinc/35/70/99/1096357099.db2.gz SICKXKSALKPLCY-QGZVFWFLSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC001225275479 1096381598 /nfs/dbraw/zinc/38/15/98/1096381598.db2.gz LVHGRXWNJZJDBW-IAGOWNOFSA-N 0 3 304.409 3.309 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ncccc1C#N ZINC001225406484 1096420490 /nfs/dbraw/zinc/42/04/90/1096420490.db2.gz ZOCDCSKRZBCKBC-CRAIPNDOSA-N 0 3 307.397 3.243 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001086883253 1096495912 /nfs/dbraw/zinc/49/59/12/1096495912.db2.gz AVAZZFJUWPGOKG-VNPUNGKLSA-N 0 3 324.896 3.440 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccccc3)C2)CC1 ZINC001086899565 1096499135 /nfs/dbraw/zinc/49/91/35/1096499135.db2.gz MJWFMBTXDDWQLZ-QGZVFWFLSA-N 0 3 310.441 3.027 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CCC=C)c2ccccc2)CC1 ZINC001225694298 1096507335 /nfs/dbraw/zinc/50/73/35/1096507335.db2.gz KHUSLOPOKVOALU-FQEVSTJZSA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C(C)=C3CCCC3)C2)CC1 ZINC001086915466 1096512238 /nfs/dbraw/zinc/51/22/38/1096512238.db2.gz IZTGLRZIBFWZNV-MRXNPFEDSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(CC)cc3)C2)CC1 ZINC001086955779 1096522894 /nfs/dbraw/zinc/52/28/94/1096522894.db2.gz WCTDJIPKQHYJLK-KRWDZBQOSA-N 0 3 324.468 3.199 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226058702 1096600596 /nfs/dbraw/zinc/60/05/96/1096600596.db2.gz KQFTUVCNOIBXCR-GHLWEHPRSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CCCC(=O)NC1CCN(CCc2ccccc2Cl)CC1 ZINC001226519245 1096711655 /nfs/dbraw/zinc/71/16/55/1096711655.db2.gz RZLDZXZLCZVGGU-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001226533466 1096715599 /nfs/dbraw/zinc/71/55/99/1096715599.db2.gz ZBTCOHIHMJLWRK-IAGOWNOFSA-N 0 3 319.424 3.094 20 30 DGEDHN C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1ccnc(N)c1 ZINC001226653413 1096744023 /nfs/dbraw/zinc/74/40/23/1096744023.db2.gz JCDJDSTWWLWESO-GFCCVEGCSA-N 0 3 322.286 3.142 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001226796640 1096780421 /nfs/dbraw/zinc/78/04/21/1096780421.db2.gz GXFQALFPEGRTNC-AEFFLSMTSA-N 0 3 319.493 3.152 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001226796643 1096781179 /nfs/dbraw/zinc/78/11/79/1096781179.db2.gz GXFQALFPEGRTNC-SJLPKXTDSA-N 0 3 319.493 3.152 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001226901334 1096809949 /nfs/dbraw/zinc/80/99/49/1096809949.db2.gz FQCBOGXREXGSSI-GOSISDBHSA-N 0 3 317.477 3.408 20 30 DGEDHN C#CCCCCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001226951511 1096825245 /nfs/dbraw/zinc/82/52/45/1096825245.db2.gz BRTDBUUSCRIBFX-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCCCCCCCCN1CCc2nc(C(N)=O)ccc2C1 ZINC001277170836 1096831969 /nfs/dbraw/zinc/83/19/69/1096831969.db2.gz SBEMOVBAUBNUOJ-UHFFFAOYSA-N 0 3 315.461 3.455 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc(C(C)C)c3)CCC[C@@H]12 ZINC001094554108 1096861171 /nfs/dbraw/zinc/86/11/71/1096861171.db2.gz DUQGMRMNHQSMBE-TZIWHRDSSA-N 0 3 324.468 3.418 20 30 DGEDHN Cc1nc(O[C@@H]2CCN(C(C)C)C2)c(C#N)cc1-c1ccncc1 ZINC001227268266 1096909249 /nfs/dbraw/zinc/90/92/49/1096909249.db2.gz WBTKONLFORYLPG-QGZVFWFLSA-N 0 3 322.412 3.185 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCC(F)(F)C1 ZINC001277201092 1096917604 /nfs/dbraw/zinc/91/76/04/1096917604.db2.gz PJRGSSQRORDWNW-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN CCCCCCCCN1CC2(C[C@@H]2C(=O)N2CCCCO2)C1 ZINC001277232099 1096971144 /nfs/dbraw/zinc/97/11/44/1096971144.db2.gz UQKQBAWVLRPEAG-MRXNPFEDSA-N 0 3 308.466 3.223 20 30 DGEDHN CCCCCCCCC(=O)NCCCN[C@H](C)c1cnccn1 ZINC001171818207 1096974400 /nfs/dbraw/zinc/97/44/00/1096974400.db2.gz AVCWRVOUHTVEKP-MRXNPFEDSA-N 0 3 320.481 3.384 20 30 DGEDHN N=C(N[C@@H]1Cc2cccc(F)c2C1)c1ccc2ccccc2n1 ZINC001171782435 1096976531 /nfs/dbraw/zinc/97/65/31/1096976531.db2.gz AGMGDFDZUVDEHA-CQSZACIVSA-N 0 3 305.356 3.247 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCCc2ccccc21 ZINC001171788263 1096977978 /nfs/dbraw/zinc/97/79/78/1096977978.db2.gz ZQGSVEDFEQBHPB-MRXNPFEDSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001171875764 1096988019 /nfs/dbraw/zinc/98/80/19/1096988019.db2.gz WJUMTKAVIUABQT-UHFFFAOYSA-N 0 3 310.869 3.051 20 30 DGEDHN C[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171839933 1096989511 /nfs/dbraw/zinc/98/95/11/1096989511.db2.gz WUMAEFXXCKYIPL-UONOGXRCSA-N 0 3 307.438 3.200 20 30 DGEDHN Cc1c(C#N)cccc1O[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001228029672 1097035395 /nfs/dbraw/zinc/03/53/95/1097035395.db2.gz LOGZMOUMKQUXKO-NVXWUHKLSA-N 0 3 307.397 3.476 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCCC(F)(F)F)CC2)CCCC1 ZINC001277266723 1097046299 /nfs/dbraw/zinc/04/62/99/1097046299.db2.gz KJYGCVFDYNVTMU-UHFFFAOYSA-N 0 3 318.383 3.314 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228123751 1097055359 /nfs/dbraw/zinc/05/53/59/1097055359.db2.gz RCPAZKXFCORYDO-CGTJXYLNSA-N 0 3 315.461 3.201 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1ccccc1Cl ZINC001172299829 1097109705 /nfs/dbraw/zinc/10/97/05/1097109705.db2.gz ORPYPUCAEQGISZ-FZKQIMNGSA-N 0 3 314.816 3.466 20 30 DGEDHN CC(C)N(C)Cc1cnc2n1CCN([C@H](C)CCCC#N)[C@H]2C ZINC001172495692 1097169955 /nfs/dbraw/zinc/16/99/55/1097169955.db2.gz TTYXMAYEFMCVEH-CVEARBPZSA-N 0 3 317.481 3.182 20 30 DGEDHN C[C@H](CCCC#N)N1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001172496279 1097170357 /nfs/dbraw/zinc/17/03/57/1097170357.db2.gz LOZMZOHFJXQJLK-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN C[C@H](CCCC#N)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001172497194 1097171161 /nfs/dbraw/zinc/17/11/61/1097171161.db2.gz ZTZCSVFTGCKUSH-CQSZACIVSA-N 0 3 312.417 3.461 20 30 DGEDHN COc1ccc(N2CCN([C@@H](C)CCCC#N)CC2)c(C)c1 ZINC001172510201 1097174946 /nfs/dbraw/zinc/17/49/46/1097174946.db2.gz XGCLCMFHGPGECJ-INIZCTEOSA-N 0 3 301.434 3.208 20 30 DGEDHN COC(=O)C1(C#N)CCN([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565912 1097181917 /nfs/dbraw/zinc/18/19/17/1097181917.db2.gz QBSSJKRBOTYWBN-IAGOWNOFSA-N 0 3 312.413 3.101 20 30 DGEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001172545131 1097188042 /nfs/dbraw/zinc/18/80/42/1097188042.db2.gz GOLFVZVCWTVOSY-ORQFMDKSSA-N 0 3 304.434 3.223 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001228829410 1097199271 /nfs/dbraw/zinc/19/92/71/1097199271.db2.gz XYYMYMXGNGTZQP-HZPDHXFCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1ccccc1C ZINC001277355669 1097254641 /nfs/dbraw/zinc/25/46/41/1097254641.db2.gz LRBVDZXMEHGDAO-HNNXBMFYSA-N 0 3 308.853 3.165 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001203342291 1097296951 /nfs/dbraw/zinc/29/69/51/1097296951.db2.gz ZGHIYPYAVXZRHM-LSDHHAIUSA-N 0 3 319.474 3.016 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001229597183 1097350938 /nfs/dbraw/zinc/35/09/38/1097350938.db2.gz IKEDJGUMDPOVCA-INIZCTEOSA-N 0 3 323.352 3.120 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCCC)C(C)C)C2 ZINC001110168837 1097404676 /nfs/dbraw/zinc/40/46/76/1097404676.db2.gz DELYDKKFKHMAFE-BDXSIMOUSA-N 0 3 304.478 3.194 20 30 DGEDHN CCCCCCCC[C@@H](CCC)N(C)S(=O)(=O)CCN ZINC001173310032 1097408240 /nfs/dbraw/zinc/40/82/40/1097408240.db2.gz NYKXVSDVABGWRE-OAHLLOKOSA-N 0 3 306.516 3.126 20 30 DGEDHN C=CCOC1CCC(N2CCc3cnc(C4CC4)nc3C2)CC1 ZINC001173326379 1097418024 /nfs/dbraw/zinc/41/80/24/1097418024.db2.gz ZXDVWQVJZCZGDK-UHFFFAOYSA-N 0 3 313.445 3.226 20 30 DGEDHN C=CCOC1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC001173320115 1097429362 /nfs/dbraw/zinc/42/93/62/1097429362.db2.gz IBEYAWJBXSHWFO-UHFFFAOYSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCOC1CCC(NCC(=O)c2cc(F)cc(F)c2)CC1 ZINC001173319797 1097429652 /nfs/dbraw/zinc/42/96/52/1097429652.db2.gz WJYCQCVQQDNWPY-UHFFFAOYSA-N 0 3 309.356 3.251 20 30 DGEDHN C[C@@H]1CN(C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173593361 1097466033 /nfs/dbraw/zinc/46/60/33/1097466033.db2.gz HIGDBWYTAXPSMB-KSTDHSDQSA-N 0 3 321.465 3.400 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccccn1 ZINC001230578560 1097518424 /nfs/dbraw/zinc/51/84/24/1097518424.db2.gz LTJGPDHRXCCEKR-MRXNPFEDSA-N 0 3 303.450 3.198 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1 ZINC001230619184 1097534244 /nfs/dbraw/zinc/53/42/44/1097534244.db2.gz KEBKVTOAEIKNOU-QGZVFWFLSA-N 0 3 303.450 3.198 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230811469 1097595679 /nfs/dbraw/zinc/59/56/79/1097595679.db2.gz NXWZNIOKEWJODA-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230824819 1097599533 /nfs/dbraw/zinc/59/95/33/1097599533.db2.gz RANBREQMQJTHJN-MRXNPFEDSA-N 0 3 303.450 3.012 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C[C@@H]1C[C@H]1C)Cc1cccnc1 ZINC001230839057 1097603507 /nfs/dbraw/zinc/60/35/07/1097603507.db2.gz ZLPIKIDGOJONKZ-AEFFLSMTSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CN(CCCNC(=O)[C@@H]1C[C@H]1CC)Cc1cccnc1 ZINC001230855789 1097607765 /nfs/dbraw/zinc/60/77/65/1097607765.db2.gz DELHPNQCHNNGMJ-QZTJIDSGSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCSCC ZINC001230898428 1097616810 /nfs/dbraw/zinc/61/68/10/1097616810.db2.gz CXDPGCOOMABYKQ-MRXNPFEDSA-N 0 3 312.523 3.409 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001277473221 1097629116 /nfs/dbraw/zinc/62/91/16/1097629116.db2.gz BEVGJVCKEIZRBE-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC(CC)CC)C2)C1 ZINC001277474389 1097632283 /nfs/dbraw/zinc/63/22/83/1097632283.db2.gz QAEKENVDDXYAPZ-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231088480 1097665781 /nfs/dbraw/zinc/66/57/81/1097665781.db2.gz ZBAXSOPNEIPYAQ-SJLPKXTDSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1CC ZINC001231170608 1097687059 /nfs/dbraw/zinc/68/70/59/1097687059.db2.gz RGPZYLSFQHWONY-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN Cc1c(C)n(C2=CCCN(Cc3ccccc3)C2)c(N)c1C#N ZINC001174392926 1097688299 /nfs/dbraw/zinc/68/82/99/1097688299.db2.gz MSWJVHSYEUAGPN-UHFFFAOYSA-N 0 3 306.413 3.306 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCc1ccc(CC)cc1 ZINC001231179882 1097690575 /nfs/dbraw/zinc/69/05/75/1097690575.db2.gz XMAZUZRMNMGWEW-LJQANCHMSA-N 0 3 314.473 3.290 20 30 DGEDHN CC/C=C\CCN1CC2(C[C@@H]2C(=O)Nc2cc(C)ccc2C#N)C1 ZINC001277519487 1097751431 /nfs/dbraw/zinc/75/14/31/1097751431.db2.gz YTDGBNDPNFWPKI-VGOKWCNXSA-N 0 3 323.440 3.483 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC2(CCOC2(C)C)CC1 ZINC001231622285 1097794780 /nfs/dbraw/zinc/79/47/80/1097794780.db2.gz SWDBYKCJLHYGRT-UHFFFAOYSA-N 0 3 314.429 3.348 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001174650406 1097803412 /nfs/dbraw/zinc/80/34/12/1097803412.db2.gz RFQFHXTUFLCFEL-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1nc(C)cs1 ZINC001174694658 1097827712 /nfs/dbraw/zinc/82/77/12/1097827712.db2.gz VDHXLUCNZVIOAT-CYBMUJFWSA-N 0 3 323.506 3.428 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001174832680 1097851406 /nfs/dbraw/zinc/85/14/06/1097851406.db2.gz DKRSBOVZJFZNKX-GDBMZVCRSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001174848361 1097866922 /nfs/dbraw/zinc/86/69/22/1097866922.db2.gz CGJDXGPWODFLSW-ZBFHGGJFSA-N 0 3 321.465 3.350 20 30 DGEDHN COc1cc(CN2CCC[C@H](CC#N)C2)ccc1-n1cnc(C)c1 ZINC001232563808 1098079016 /nfs/dbraw/zinc/07/90/16/1098079016.db2.gz YVPSRNPOTKLOOC-MRXNPFEDSA-N 0 3 324.428 3.315 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc2ccccc2c1 ZINC001175695507 1098124389 /nfs/dbraw/zinc/12/43/89/1098124389.db2.gz PWSXHULKJSKCJM-UHFFFAOYSA-N 0 3 316.832 3.231 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)s1 ZINC001232846594 1098151510 /nfs/dbraw/zinc/15/15/10/1098151510.db2.gz LNEOPDFBTLGZDS-JKSUJKDBSA-N 0 3 307.438 3.018 20 30 DGEDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001232844803 1098151993 /nfs/dbraw/zinc/15/19/93/1098151993.db2.gz DSCVBSCOJIRTFS-CHWSQXEVSA-N 0 3 306.431 3.031 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001175777331 1098167465 /nfs/dbraw/zinc/16/74/65/1098167465.db2.gz QFFOQHYESCXZBN-UHFFFAOYSA-N 0 3 319.836 3.247 20 30 DGEDHN Cc1cncnc1O[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233083517 1098222148 /nfs/dbraw/zinc/22/21/48/1098222148.db2.gz OGWKDBDVLCVMRB-SFHVURJKSA-N 0 3 322.412 3.009 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001233084458 1098223429 /nfs/dbraw/zinc/22/34/29/1098223429.db2.gz WSOAGHSMRXKKBE-RBUKOAKNSA-N 0 3 315.436 3.265 20 30 DGEDHN CCOC(=O)C1(CC)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083642 1098223505 /nfs/dbraw/zinc/22/35/05/1098223505.db2.gz UEOGSHMMGKPSRE-UHFFFAOYSA-N 0 3 314.429 3.422 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001233083622 1098223853 /nfs/dbraw/zinc/22/38/53/1098223853.db2.gz SMHRPBKGPRADSB-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN CN(C)c1ccc(CN(C)CCc2ccccc2)c(F)c1C#N ZINC001233097173 1098226049 /nfs/dbraw/zinc/22/60/49/1098226049.db2.gz RLXFDVQSRSYTKE-UHFFFAOYSA-N 0 3 311.404 3.438 20 30 DGEDHN C#CC1CCN(Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001233406569 1098319285 /nfs/dbraw/zinc/31/92/85/1098319285.db2.gz VKUDGURIUMENFA-UHFFFAOYSA-N 0 3 301.340 3.200 20 30 DGEDHN CC(C)N1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233510321 1098357815 /nfs/dbraw/zinc/35/78/15/1098357815.db2.gz KQRNTWHWGNGLCX-CYBMUJFWSA-N 0 3 313.323 3.224 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233528864 1098365678 /nfs/dbraw/zinc/36/56/78/1098365678.db2.gz CKOUTPGDDDYKNJ-MRXNPFEDSA-N 0 3 303.450 3.216 20 30 DGEDHN C=CC[C@H](C(=O)NCCCNCC(=C)Cl)c1ccccc1 ZINC001176697734 1098409503 /nfs/dbraw/zinc/40/95/03/1098409503.db2.gz MZYXBXLKBZLUTM-INIZCTEOSA-N 0 3 306.837 3.195 20 30 DGEDHN N#CCC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760487 1098424377 /nfs/dbraw/zinc/42/43/77/1098424377.db2.gz FZZXCFSDGCRBEH-UHFFFAOYSA-N 0 3 314.307 3.416 20 30 DGEDHN C=C(Br)CN1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001176887455 1098447983 /nfs/dbraw/zinc/44/79/83/1098447983.db2.gz RQNXHDFVKCDJLA-UONOGXRCSA-N 0 3 301.272 3.090 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1cccc(C)c1 ZINC001233947093 1098464881 /nfs/dbraw/zinc/46/48/81/1098464881.db2.gz ITYAJRYLLRRMGP-PKOBYXMFSA-N 0 3 312.457 3.392 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1cccc(C)c1 ZINC001233947092 1098465069 /nfs/dbraw/zinc/46/50/69/1098465069.db2.gz ITYAJRYLLRRMGP-MJGOQNOKSA-N 0 3 312.457 3.392 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001234058272 1098487547 /nfs/dbraw/zinc/48/75/47/1098487547.db2.gz HKMSMFNORZJBEU-STQMWFEESA-N 0 3 310.438 3.388 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179576 1098510342 /nfs/dbraw/zinc/51/03/42/1098510342.db2.gz WYJPWOOSQYEUEU-FUHWJXTLSA-N 0 3 310.441 3.002 20 30 DGEDHN CN(C[C@H]1CCN1CCC1CCCCCC1)C(=O)C#CC1CC1 ZINC001234187181 1098511669 /nfs/dbraw/zinc/51/16/69/1098511669.db2.gz UUMZAMNMLOCNHW-LJQANCHMSA-N 0 3 316.489 3.293 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)N2CC[C@@H]2CN(C)C(=O)C#CC2CC2)c1 ZINC001234196966 1098512603 /nfs/dbraw/zinc/51/26/03/1098512603.db2.gz WZOVZJYSHSABHZ-IEBWSBKVSA-N 0 3 324.468 3.311 20 30 DGEDHN CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)C#CC(C)(C)C ZINC001234216350 1098516607 /nfs/dbraw/zinc/51/66/07/1098516607.db2.gz VZCNLYMZXSIQAL-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCCCC ZINC001234277281 1098526819 /nfs/dbraw/zinc/52/68/19/1098526819.db2.gz YPGKIFJPORZYRO-ZWKOTPCHSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1nc(C(C)C)oc1C ZINC001234305541 1098533281 /nfs/dbraw/zinc/53/32/81/1098533281.db2.gz SSWRUPMJBSPYFQ-HNNXBMFYSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234378748 1098545316 /nfs/dbraw/zinc/54/53/16/1098545316.db2.gz VSIUETWVPDGFIL-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234386438 1098545684 /nfs/dbraw/zinc/54/56/84/1098545684.db2.gz YZCRIQKQDIFYRO-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001234536635 1098588197 /nfs/dbraw/zinc/58/81/97/1098588197.db2.gz GAFMCXPEWKNSNM-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1cnc2ccccc2n1 ZINC001177903787 1098643232 /nfs/dbraw/zinc/64/32/32/1098643232.db2.gz KYBKMUOJNYYBCK-LLVKDONJSA-N 0 3 308.366 3.012 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2ccc(F)cc2o1 ZINC001177904245 1098643724 /nfs/dbraw/zinc/64/37/24/1098643724.db2.gz KDDNOVAXYGXYBT-VIFPVBQESA-N 0 3 315.329 3.349 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1ccc(C(F)F)cn1 ZINC001177909064 1098645376 /nfs/dbraw/zinc/64/53/76/1098645376.db2.gz QJQMGONMPORQKV-SNVBAGLBSA-N 0 3 307.325 3.402 20 30 DGEDHN CCC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178374616 1098798324 /nfs/dbraw/zinc/79/83/24/1098798324.db2.gz BVFBCRBPGOLVPG-XEZPLFJOSA-N 0 3 319.474 3.135 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001235106939 1098807499 /nfs/dbraw/zinc/80/74/99/1098807499.db2.gz STHFZWIIJUNCBW-AWEZNQCLSA-N 0 3 323.387 3.132 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235223291 1098896216 /nfs/dbraw/zinc/89/62/16/1098896216.db2.gz BBEOMAOHRDBBEE-UONOGXRCSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235229240 1098902208 /nfs/dbraw/zinc/90/22/08/1098902208.db2.gz ZGXUJQRGIOGQDI-KBPBESRZSA-N 0 3 302.409 3.167 20 30 DGEDHN O=C1C=C2CN(Cc3cc(F)c(F)c(F)c3F)CCC2S1 ZINC001235345293 1098969349 /nfs/dbraw/zinc/96/93/49/1098969349.db2.gz LIYFPVYMKHGPIX-JTQLQIEISA-N 0 3 317.307 3.017 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)C(=C)C)C12CCC2 ZINC001203259326 1099009732 /nfs/dbraw/zinc/00/97/32/1099009732.db2.gz WEKAHPSSHYGGIN-KGLIPLIRSA-N 0 3 310.869 3.358 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179305946 1099057264 /nfs/dbraw/zinc/05/72/64/1099057264.db2.gz ACDJHORASGCBDX-HOCLYGCPSA-N 0 3 321.465 3.207 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179306030 1099058056 /nfs/dbraw/zinc/05/80/56/1099058056.db2.gz BQBYSBBYBHMFCX-CABCVRRESA-N 0 3 321.465 3.207 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCCCCCNCc1ocnc1C ZINC001179340172 1099076643 /nfs/dbraw/zinc/07/66/43/1099076643.db2.gz UZRWWIHRTWFXRB-OAHLLOKOSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179384479 1099089060 /nfs/dbraw/zinc/08/90/60/1099089060.db2.gz NVWMEBPWCUQQHP-BJLQDIEVSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCCCC(=O)NCCCCCCNCc1nccs1 ZINC001179420798 1099099829 /nfs/dbraw/zinc/09/98/29/1099099829.db2.gz DIYTZNNHORKWGE-UHFFFAOYSA-N 0 3 309.479 3.266 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cncs1 ZINC001235650408 1099108566 /nfs/dbraw/zinc/10/85/66/1099108566.db2.gz FLRQBDFKURWBRK-HNNXBMFYSA-N 0 3 323.506 3.189 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179482291 1099113119 /nfs/dbraw/zinc/11/31/19/1099113119.db2.gz SBSOVNJRQBTVQU-SFHVURJKSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001179481747 1099113640 /nfs/dbraw/zinc/11/36/40/1099113640.db2.gz KILACPUEMYLGQP-GOSISDBHSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCCCCNCc2ocnc2C)C1 ZINC001179534001 1099120964 /nfs/dbraw/zinc/12/09/64/1099120964.db2.gz ZBXGUVFUULRBDG-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@@H](c3ccccc3)C2)cc1Cl ZINC001235857478 1099218933 /nfs/dbraw/zinc/21/89/33/1099218933.db2.gz ULMJSOAVMYEVTA-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN CC1(CCC(=O)N2CCC[C@H]2CNCC#Cc2ccccc2)CC1 ZINC001277974215 1099220377 /nfs/dbraw/zinc/22/03/77/1099220377.db2.gz SWHLIYADMDSZRB-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN N#Cc1cc(-c2cccc3cc([C@@H]4CNCCO4)cn32)ccc1F ZINC001235895085 1099237958 /nfs/dbraw/zinc/23/79/58/1099237958.db2.gz CDWYFPLNXRLQOV-IBGZPJMESA-N 0 3 321.355 3.278 20 30 DGEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001180364307 1099397754 /nfs/dbraw/zinc/39/77/54/1099397754.db2.gz RTZKKYKRXGFFMR-HNNXBMFYSA-N 0 3 305.853 3.397 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1-c1cccnc1 ZINC001188051380 1099664143 /nfs/dbraw/zinc/66/41/43/1099664143.db2.gz WCNSZRGTWVGTGF-KRWDZBQOSA-N 0 3 321.424 3.129 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CN(CC=C(C)C)C[C@H]21 ZINC001188033170 1099672602 /nfs/dbraw/zinc/67/26/02/1099672602.db2.gz DKKISOLTIKPRCS-ZWKOTPCHSA-N 0 3 302.462 3.254 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)cc(F)c1)CC2 ZINC001273557522 1099728615 /nfs/dbraw/zinc/72/86/15/1099728615.db2.gz TYBUQRTWPNFYQM-QGZVFWFLSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC/C=C\c3ccccc3)[C@@H]2C1 ZINC001189126383 1099958994 /nfs/dbraw/zinc/95/89/94/1099958994.db2.gz GPZAIFWCTZCRTK-WDVNOTDGSA-N 0 3 310.441 3.199 20 30 DGEDHN COc1cccc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001237191078 1100025934 /nfs/dbraw/zinc/02/59/34/1100025934.db2.gz MRBVBVUOPFVIGX-CYBMUJFWSA-N 0 3 309.818 3.123 20 30 DGEDHN CCCCCCCN1C[C@@H]2CCN(C(=O)c3nccs3)[C@@H]2C1 ZINC001189515076 1100074096 /nfs/dbraw/zinc/07/40/96/1100074096.db2.gz WMCUVBUYOTUBOT-LSDHHAIUSA-N 0 3 321.490 3.260 20 30 DGEDHN Cn1cc(CN(CCO)Cc2ccccc2)c2cc(C#N)ccc21 ZINC001237467547 1100133232 /nfs/dbraw/zinc/13/32/32/1100133232.db2.gz WSRBRUDSLAZNRC-UHFFFAOYSA-N 0 3 319.408 3.044 20 30 DGEDHN Cn1cc(C[N@@H+]2CCc3cccc([O-])c3C2)c2cc(C#N)ccc21 ZINC001237473750 1100135993 /nfs/dbraw/zinc/13/59/93/1100135993.db2.gz UAPHJUZXMXTFTA-UHFFFAOYSA-N 0 3 317.392 3.314 20 30 DGEDHN Cn1cc(C[N@H+]2CCc3cccc([O-])c3C2)c2cc(C#N)ccc21 ZINC001237473750 1100135997 /nfs/dbraw/zinc/13/59/97/1100135997.db2.gz UAPHJUZXMXTFTA-UHFFFAOYSA-N 0 3 317.392 3.314 20 30 DGEDHN CC[C@H](C)CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189858450 1100140430 /nfs/dbraw/zinc/14/04/30/1100140430.db2.gz RRVCTHKQHRXBCM-MAUKXSAKSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488510 1100140999 /nfs/dbraw/zinc/14/09/99/1100140999.db2.gz MPEPTAPJIXFPMS-APWZRJJASA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488510 1100141006 /nfs/dbraw/zinc/14/10/06/1100141006.db2.gz MPEPTAPJIXFPMS-APWZRJJASA-N 0 3 317.429 3.027 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001189910844 1100148205 /nfs/dbraw/zinc/14/82/05/1100148205.db2.gz ULJPJEURCHRZDC-QGZVFWFLSA-N 0 3 318.848 3.176 20 30 DGEDHN CCc1cccc(C)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001189958007 1100172229 /nfs/dbraw/zinc/17/22/29/1100172229.db2.gz MOAKDQXFMLEFND-AWEZNQCLSA-N 0 3 316.426 3.363 20 30 DGEDHN N#Cc1ccc2nc(CN3CC[C@@H](c4ccccc4)C3)cn2c1 ZINC001237609804 1100188331 /nfs/dbraw/zinc/18/83/31/1100188331.db2.gz XMKMGZJCOGSIMW-QGZVFWFLSA-N 0 3 302.381 3.195 20 30 DGEDHN C=CCCOCCCCC(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001190129480 1100212586 /nfs/dbraw/zinc/21/25/86/1100212586.db2.gz UWROAMKHHDNRNP-SFHVURJKSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCCOCCCCC(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001190129479 1100212753 /nfs/dbraw/zinc/21/27/53/1100212753.db2.gz UWROAMKHHDNRNP-GOSISDBHSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190370153 1100263173 /nfs/dbraw/zinc/26/31/73/1100263173.db2.gz HRMPEIOEDHSXPC-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001190429204 1100271996 /nfs/dbraw/zinc/27/19/96/1100271996.db2.gz XADAGJUIVHAYDM-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2ccccc2Cl)C1 ZINC001190546221 1100291480 /nfs/dbraw/zinc/29/14/80/1100291480.db2.gz CEBNCCQWMIMTNX-INIZCTEOSA-N 0 3 320.864 3.381 20 30 DGEDHN CCCCC[C@H](CC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001151890716 1100325716 /nfs/dbraw/zinc/32/57/16/1100325716.db2.gz ORDHLPCGJVTNDH-AWEZNQCLSA-N 0 3 321.490 3.432 20 30 DGEDHN C#CCNC[C@@H](NC(=O)/C(C)=C/C)c1ccc2ccccc2c1 ZINC001278207116 1100403002 /nfs/dbraw/zinc/40/30/02/1100403002.db2.gz PIWOBULJAJVJQL-ACADAKADSA-N 0 3 306.409 3.186 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@H]1C ZINC001278250339 1100474893 /nfs/dbraw/zinc/47/48/93/1100474893.db2.gz HUSTZNMDGURTQC-PBHICJAKSA-N 0 3 318.848 3.078 20 30 DGEDHN CCOC(=O)C[C@H]1CCCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238766368 1100522788 /nfs/dbraw/zinc/52/27/88/1100522788.db2.gz KXFSTWAOEKYATL-OAHLLOKOSA-N 0 3 314.429 3.286 20 30 DGEDHN CCc1cc(CN2CC[C@H](Oc3ccncc3)C2)ccc1C#N ZINC001238768894 1100523602 /nfs/dbraw/zinc/52/36/02/1100523602.db2.gz NRURNJUENYANLB-IBGZPJMESA-N 0 3 307.397 3.169 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001191889055 1100539079 /nfs/dbraw/zinc/53/90/79/1100539079.db2.gz AFWKSCKDUSEALL-QZTJIDSGSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001203751638 1100581481 /nfs/dbraw/zinc/58/14/81/1100581481.db2.gz DVBSHUIOENXIEL-KRWDZBQOSA-N 0 3 302.418 3.180 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](N(C)CCOCCCC)C2)CCC1 ZINC001192189028 1100583234 /nfs/dbraw/zinc/58/32/34/1100583234.db2.gz BBALSJJMBIKHEO-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC001239288316 1100622333 /nfs/dbraw/zinc/62/23/33/1100622333.db2.gz NVMALYLMPFBBBI-HZPDHXFCSA-N 0 3 319.424 3.036 20 30 DGEDHN CCCCCCCCCCOC(=O)N[C@H](C)[C@@H]1CNCCO1 ZINC001239321503 1100631432 /nfs/dbraw/zinc/63/14/32/1100631432.db2.gz TXLQQZIKPABAMB-CVEARBPZSA-N 0 3 314.470 3.230 20 30 DGEDHN CCCCCCCCCNC(=S)NC[C@@H]1CCNC[C@@H]1F ZINC001239374415 1100647347 /nfs/dbraw/zinc/64/73/47/1100647347.db2.gz WCKMCVIMPVYGAM-GJZGRUSLSA-N 0 3 317.518 3.149 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192688777 1100651874 /nfs/dbraw/zinc/65/18/74/1100651874.db2.gz ZTWSAKLXGIOLHQ-ROUUACIJSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192688776 1100652194 /nfs/dbraw/zinc/65/21/94/1100652194.db2.gz ZTWSAKLXGIOLHQ-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2cccc(O)c2)cc1 ZINC001193346133 1100729161 /nfs/dbraw/zinc/72/91/61/1100729161.db2.gz MGDIKDRMNKCLBJ-CQSZACIVSA-N 0 3 308.381 3.053 20 30 DGEDHN CCCCCCCCCC(=O)N1CC[C@H](N(C)CCOC)C1 ZINC001193663791 1100787983 /nfs/dbraw/zinc/78/79/83/1100787983.db2.gz OOXRWVLKWGCPHK-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN C#Cc1ccc(CN2CCC3(CCN([C@@H](C)CC)C3=O)CC2)cc1 ZINC001273671350 1100877651 /nfs/dbraw/zinc/87/76/51/1100877651.db2.gz CRDQTGZXOUIOLB-KRWDZBQOSA-N 0 3 324.468 3.281 20 30 DGEDHN N#Cc1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cc1F ZINC001240157642 1100882358 /nfs/dbraw/zinc/88/23/58/1100882358.db2.gz VSUWUVIUPGYQTA-IBGZPJMESA-N 0 3 321.355 3.278 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194182634 1100885313 /nfs/dbraw/zinc/88/53/13/1100885313.db2.gz BYVPOBXTCBUDTN-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194367603 1100921286 /nfs/dbraw/zinc/92/12/86/1100921286.db2.gz IXDBRNHMQSCQJC-ZWKOTPCHSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 ZINC001194448985 1100940750 /nfs/dbraw/zinc/94/07/50/1100940750.db2.gz PKCAXBWKELRERM-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)CCCC(C)=O)CC1 ZINC001194862794 1101024541 /nfs/dbraw/zinc/02/45/41/1101024541.db2.gz BSUUMOBFVZSZGU-UHFFFAOYSA-N 0 3 308.466 3.026 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccnc(F)c2)CC1 ZINC001195079881 1101066865 /nfs/dbraw/zinc/06/68/65/1101066865.db2.gz WDDULHHDIWQBRJ-UHFFFAOYSA-N 0 3 319.424 3.115 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2oc(C)nc2C)CC1 ZINC001195411455 1101129660 /nfs/dbraw/zinc/12/96/60/1101129660.db2.gz TTWLZULHHSMCQH-UHFFFAOYSA-N 0 3 319.449 3.186 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2ncoc2CC)CC1 ZINC001195393962 1101133995 /nfs/dbraw/zinc/13/39/95/1101133995.db2.gz HOAZEQZTFADKEY-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2c(F)cc(C)cc2F)CC1 ZINC001196460966 1101322581 /nfs/dbraw/zinc/32/25/81/1101322581.db2.gz GDPJPSFENRNEMD-UHFFFAOYSA-N 0 3 322.399 3.387 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001196540228 1101337615 /nfs/dbraw/zinc/33/76/15/1101337615.db2.gz YJKMYRUSLGKSBI-UHFFFAOYSA-N 0 3 307.413 3.048 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1C ZINC001196777426 1101400164 /nfs/dbraw/zinc/40/01/64/1101400164.db2.gz VJKASMRAUNTDBW-INIZCTEOSA-N 0 3 316.445 3.162 20 30 DGEDHN CC#CCCCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001196847213 1101405511 /nfs/dbraw/zinc/40/55/11/1101405511.db2.gz XGZFCOMONQYYDK-HXUWFJFHSA-N 0 3 324.468 3.402 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196881179 1101412163 /nfs/dbraw/zinc/41/21/63/1101412163.db2.gz QOBGFTMOKZOBOA-SFHVURJKSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001197277405 1101514287 /nfs/dbraw/zinc/51/42/87/1101514287.db2.gz GHWAXKVCOBBRKL-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C=CC1(CC(=O)N2CCCN([C@@H](C)COC)CC2)CCCCC1 ZINC001197418973 1101564514 /nfs/dbraw/zinc/56/45/14/1101564514.db2.gz YZTIEXFDKOSKSU-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CCC1(C)CC1)C2 ZINC001278334078 1101633645 /nfs/dbraw/zinc/63/36/45/1101633645.db2.gz AHAYXEMSWQEMHW-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)c(C)c1 ZINC001110494694 1101635959 /nfs/dbraw/zinc/63/59/59/1101635959.db2.gz TWTBBVWRYCRHSW-AQNXPRMDSA-N 0 3 324.468 3.328 20 30 DGEDHN N#Cc1ccnc(CN2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC001197693504 1101643529 /nfs/dbraw/zinc/64/35/29/1101643529.db2.gz XACNXIGFPDXTTF-SFHVURJKSA-N 0 3 313.445 3.393 20 30 DGEDHN CN(C)C[C@@H](NC(=S)Nc1cccc(C#N)c1)c1ccccc1 ZINC001197723745 1101652578 /nfs/dbraw/zinc/65/25/78/1101652578.db2.gz ONIZAQRLDAIMQL-QGZVFWFLSA-N 0 3 324.453 3.148 20 30 DGEDHN CCN1CCN(c2ccc(-c3ncc(C)cc3C#N)cc2)CC1 ZINC001241737239 1101669452 /nfs/dbraw/zinc/66/94/52/1101669452.db2.gz CQZSHXLLKZWSGO-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN CCN1CCN(c2ccc(-c3nc(C)ccc3CC#N)cc2)CC1 ZINC001241742579 1101673590 /nfs/dbraw/zinc/67/35/90/1101673590.db2.gz OFNOMQSHJLHCGQ-UHFFFAOYSA-N 0 3 320.440 3.265 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001278335189 1101674934 /nfs/dbraw/zinc/67/49/34/1101674934.db2.gz HXQNTNCBRCFLEH-UYAOXDASSA-N 0 3 316.489 3.317 20 30 DGEDHN CCN1CCN(c2ccc(-c3cc(C#N)cc(C#N)c3)cc2)CC1 ZINC001241743544 1101675632 /nfs/dbraw/zinc/67/56/32/1101675632.db2.gz DHKSFGAVFMOWJE-UHFFFAOYSA-N 0 3 316.408 3.239 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2cc(CC)on2)CC1 ZINC001197849891 1101676055 /nfs/dbraw/zinc/67/60/55/1101676055.db2.gz NMZRIKRKBOSTPO-UHFFFAOYSA-N 0 3 319.449 3.131 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCN(CC(=C)C)CC1)c1ccccc1 ZINC001198205326 1101779379 /nfs/dbraw/zinc/77/93/79/1101779379.db2.gz TWUSTBCCKLIQQR-SFHVURJKSA-N 0 3 312.457 3.457 20 30 DGEDHN C=CCCCN1CCCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC001198214946 1101779657 /nfs/dbraw/zinc/77/96/57/1101779657.db2.gz XCSAAGVIIKSSRS-GOSISDBHSA-N 0 3 318.436 3.068 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CCC=C)CC2)CCCCC1 ZINC001198315672 1101818357 /nfs/dbraw/zinc/81/83/57/1101818357.db2.gz CJYCQUDIZWPVCO-UHFFFAOYSA-N 0 3 302.462 3.071 20 30 DGEDHN C#CC[C@@H](CC(=O)N1CCCN(CC(=C)C)CC1)c1ccccc1 ZINC001198394868 1101856465 /nfs/dbraw/zinc/85/64/65/1101856465.db2.gz NWBJDIPXGUZXAL-FQEVSTJZSA-N 0 3 324.468 3.294 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198678090 1101956097 /nfs/dbraw/zinc/95/60/97/1101956097.db2.gz WTOCEMNZDYMICY-KRWDZBQOSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)C1(C)CC1)c1ccccc1OC ZINC001198733084 1101961652 /nfs/dbraw/zinc/96/16/52/1101961652.db2.gz XLIOEMMSVHOKIQ-MRXNPFEDSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198857418 1102004526 /nfs/dbraw/zinc/00/45/26/1102004526.db2.gz PBGJYFIQSDGLKV-GOEBONIOSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1OC ZINC001198924722 1102026525 /nfs/dbraw/zinc/02/65/25/1102026525.db2.gz MSVSLCJYWOFSHW-RDJZCZTQSA-N 0 3 318.461 3.310 20 30 DGEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCCCCCCC)C1 ZINC001198904990 1102032759 /nfs/dbraw/zinc/03/27/59/1102032759.db2.gz SPOLKBVOOMHQRW-RCCFBDPRSA-N 0 3 324.509 3.111 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)C(C)(C)C)c1ccccc1OC ZINC001198968134 1102036565 /nfs/dbraw/zinc/03/65/65/1102036565.db2.gz KQKQJRHDXLIHAA-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN CCN1CC=C(c2cnc(-c3cccnc3C#N)c(C)c2)CC1 ZINC001242308755 1102045161 /nfs/dbraw/zinc/04/51/61/1102045161.db2.gz JUKRNCBCCFXYPD-UHFFFAOYSA-N 0 3 304.397 3.433 20 30 DGEDHN Cc1cc(C)cc(OCCNCc2cc(C#N)ccc2N(C)C)c1 ZINC001199709256 1102188582 /nfs/dbraw/zinc/18/85/82/1102188582.db2.gz VVHMWTMAMPVGMF-UHFFFAOYSA-N 0 3 323.440 3.410 20 30 DGEDHN N#Cc1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)ccc1[O-] ZINC001242564201 1102210852 /nfs/dbraw/zinc/21/08/52/1102210852.db2.gz RVALFAYYVNOGAP-UHFFFAOYSA-N 0 3 304.393 3.498 20 30 DGEDHN N#Cc1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1[O-] ZINC001242565549 1102213646 /nfs/dbraw/zinc/21/36/46/1102213646.db2.gz JPMPTFXPCRYCQS-UHFFFAOYSA-N 0 3 308.381 3.405 20 30 DGEDHN Cc1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)c(C#N)c1 ZINC001242592203 1102229027 /nfs/dbraw/zinc/22/90/27/1102229027.db2.gz UFPXJLHJFHNGSI-UHFFFAOYSA-N 0 3 320.440 3.459 20 30 DGEDHN Cc1ccc(-c2cncc([C@H]3CN4CCC3CC4)n2)c(C#N)c1 ZINC001242590919 1102229133 /nfs/dbraw/zinc/22/91/33/1102229133.db2.gz DNHQZKVWEBZBCX-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@]23CCN([C@@H](C)CC)C3=O)c1 ZINC001273792372 1102232059 /nfs/dbraw/zinc/23/20/59/1102232059.db2.gz QJOGCTHQWLSVEH-JXFKEZNVSA-N 0 3 310.441 3.033 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3ccccc3C#N)cn2)CC1 ZINC001242714941 1102302693 /nfs/dbraw/zinc/30/26/93/1102302693.db2.gz WBVQQAAULGXSFS-UHFFFAOYSA-N 0 3 306.413 3.151 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2cc(C)c(C)s2)C1=O ZINC001273850978 1102391737 /nfs/dbraw/zinc/39/17/37/1102391737.db2.gz KCBNXTIMYSIOJT-KRWDZBQOSA-N 0 3 304.459 3.118 20 30 DGEDHN C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001110559861 1102484097 /nfs/dbraw/zinc/48/40/97/1102484097.db2.gz OTPMNWCVEUGCPK-KURKYZTESA-N 0 3 320.477 3.047 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cccc(Cl)c1 ZINC001201111235 1102489206 /nfs/dbraw/zinc/48/92/06/1102489206.db2.gz SURGAGGZJTYKQG-AWEZNQCLSA-N 0 3 309.866 3.277 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(CC1CCCCC1)CC2 ZINC001201394612 1102567715 /nfs/dbraw/zinc/56/77/15/1102567715.db2.gz YRHGRMLWPHPYOB-UHFFFAOYSA-N 0 3 303.450 3.061 20 30 DGEDHN CCCCCCCCCN1CC2(C1)CCOC[C@H]2C(=O)OC ZINC001201852497 1102735541 /nfs/dbraw/zinc/73/55/41/1102735541.db2.gz AGUPBRQBDOCOTE-INIZCTEOSA-N 0 3 311.466 3.249 20 30 DGEDHN CCCCCCCCCN1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001201839275 1102742489 /nfs/dbraw/zinc/74/24/89/1102742489.db2.gz JYBXYVMIPNOFTA-KBPBESRZSA-N 0 3 311.388 3.097 20 30 DGEDHN O=C(Nc1ccccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001202059275 1102803868 /nfs/dbraw/zinc/80/38/68/1102803868.db2.gz QZSNLTVGYKZYKT-LBPRGKRZSA-N 0 3 308.790 3.146 20 30 DGEDHN O[C@@]1(C(F)(F)F)CCN(CCCC(F)(F)F)CC[C@H]1F ZINC001202377789 1102967706 /nfs/dbraw/zinc/96/77/06/1102967706.db2.gz NLPQXHHTOHXKPU-BDAKNGLRSA-N 0 3 311.241 3.056 20 30 DGEDHN O[C@@]1(C(F)(F)F)CCN(CCCC(F)(F)F)CC[C@@H]1F ZINC001202377795 1102967742 /nfs/dbraw/zinc/96/77/42/1102967742.db2.gz NLPQXHHTOHXKPU-IUCAKERBSA-N 0 3 311.241 3.056 20 30 DGEDHN CC(C)N1CCN(c2ccc(C3=CC[C@H](C#N)CC3)cn2)CC1 ZINC001243798512 1102983140 /nfs/dbraw/zinc/98/31/40/1102983140.db2.gz OVAZLZDDMPELDS-INIZCTEOSA-N 0 3 310.445 3.319 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001111178485 1103068538 /nfs/dbraw/zinc/06/85/38/1103068538.db2.gz VHUYLMKAESPAID-KFWWJZLASA-N 0 3 321.490 3.449 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC001325634773 1103088449 /nfs/dbraw/zinc/08/84/49/1103088449.db2.gz MUVAZAZBSYVHMP-MRXNPFEDSA-N 0 3 303.402 3.109 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccco1 ZINC001325702908 1103105049 /nfs/dbraw/zinc/10/50/49/1103105049.db2.gz ULZMXDMTVIQTSU-KRWDZBQOSA-N 0 3 324.424 3.025 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001488734264 1103128136 /nfs/dbraw/zinc/12/81/36/1103128136.db2.gz ADIILUGQFXDMHA-KDURUIRLSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccsc3[nH]1)C2 ZINC001095840040 1103242457 /nfs/dbraw/zinc/24/24/57/1103242457.db2.gz DFRXHBDKXOLJJW-IPYPFGDCSA-N 0 3 315.442 3.141 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](OCC)C2CCCC2)[C@H]1CC ZINC001489127414 1103283848 /nfs/dbraw/zinc/28/38/48/1103283848.db2.gz XQIYMPGEMBHZNO-RCCFBDPRSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cccc(OC)c2Cl)C1 ZINC001490875902 1103283951 /nfs/dbraw/zinc/28/39/51/1103283951.db2.gz CAUISZZIPAFNSA-HDJSIYSDSA-N 0 3 322.836 3.052 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H](F)C1 ZINC001326458193 1103323324 /nfs/dbraw/zinc/32/33/24/1103323324.db2.gz MOJPHFGMTPQHML-QAPCUYQASA-N 0 3 318.436 3.449 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccsn1 ZINC001326457989 1103324917 /nfs/dbraw/zinc/32/49/17/1103324917.db2.gz GNAMTVZOIFFOQD-UHFFFAOYSA-N 0 3 315.442 3.081 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213320232 1103332563 /nfs/dbraw/zinc/33/25/63/1103332563.db2.gz PVRNUXQTYBUYCT-RVLODESQSA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)C=C(C)C)C2 ZINC001489334081 1103363028 /nfs/dbraw/zinc/36/30/28/1103363028.db2.gz HPYFGCKANPKBJR-UHFFFAOYSA-N 0 3 319.474 3.050 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@H](CC)CCCCC)C2)CC1 ZINC001326602350 1103382968 /nfs/dbraw/zinc/38/29/68/1103382968.db2.gz CEJRHYGJWRZFRU-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1nc(C(C)(C)C)cs1 ZINC001326784611 1103442061 /nfs/dbraw/zinc/44/20/61/1103442061.db2.gz WWBIWRSTPDCWBC-RYUDHWBXSA-N 0 3 322.478 3.029 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC001278384015 1103504686 /nfs/dbraw/zinc/50/46/86/1103504686.db2.gz JYUGBIVBDGBSOR-DZGCQCFKSA-N 0 3 312.438 3.117 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001490222715 1103513022 /nfs/dbraw/zinc/51/30/22/1103513022.db2.gz VKAZCJBDJGVJEM-RBUKOAKNSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCCCCC[NH+]1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001276342882 1103516178 /nfs/dbraw/zinc/51/61/78/1103516178.db2.gz SPMINLSVNVZLRR-HNNXBMFYSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CC/C=C/c2ccccc2)CC1 ZINC001327148587 1103554798 /nfs/dbraw/zinc/55/47/98/1103554798.db2.gz UGLNBKZMRRXMMI-SSGOSMAHSA-N 0 3 310.441 3.084 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC001327154946 1103557333 /nfs/dbraw/zinc/55/73/33/1103557333.db2.gz BKNHNPMPHYTKGU-MSOLQXFVSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]cc1C ZINC001490309511 1103562545 /nfs/dbraw/zinc/56/25/45/1103562545.db2.gz KSBKULJIBSAOCR-HIFRSBDPSA-N 0 3 309.841 3.048 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001490450538 1103609475 /nfs/dbraw/zinc/60/94/75/1103609475.db2.gz MMOPEHYODNXJLK-MSOLQXFVSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCC1(F)F)C2 ZINC001095918996 1103653765 /nfs/dbraw/zinc/65/37/65/1103653765.db2.gz MXMYCCIECOMQRY-KBXIAJHMSA-N 0 3 312.404 3.110 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001490565853 1103660005 /nfs/dbraw/zinc/66/00/05/1103660005.db2.gz RYWPXTPTQMVGML-GXTWGEPZSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC001490623157 1103683482 /nfs/dbraw/zinc/68/34/82/1103683482.db2.gz JPMXKXLKLJUYIG-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC001490623155 1103683917 /nfs/dbraw/zinc/68/39/17/1103683917.db2.gz JPMXKXLKLJUYIG-AEFFLSMTSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)/C=C/c3ccc[nH]3)cc2C1 ZINC001327684945 1103703571 /nfs/dbraw/zinc/70/35/71/1103703571.db2.gz JXUNXTYTFAHFMM-CMDGGOBGSA-N 0 3 321.424 3.236 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccsc1)C2 ZINC001095999897 1103725626 /nfs/dbraw/zinc/72/56/26/1103725626.db2.gz RDHCXSBJZAIYRM-OJLVUWQFSA-N 0 3 304.459 3.149 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001327842179 1103738680 /nfs/dbraw/zinc/73/86/80/1103738680.db2.gz HYCJREVIEBDBLY-MAUKXSAKSA-N 0 3 324.424 3.173 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(Cl)nc2)[C@@H](C)C1 ZINC001327869268 1103749203 /nfs/dbraw/zinc/74/92/03/1103749203.db2.gz VKRGPTYDOOBLFO-ZFWWWQNUSA-N 0 3 321.852 3.028 20 30 DGEDHN CCCC1(C(=O)N2C[C@H](C)[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001327900708 1103760105 /nfs/dbraw/zinc/76/01/05/1103760105.db2.gz HOLZFFJSISBNNP-PKOBYXMFSA-N 0 3 324.468 3.055 20 30 DGEDHN CCCCC(=O)N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202487008 1103775833 /nfs/dbraw/zinc/77/58/33/1103775833.db2.gz AVYZNRHPXRZOLJ-RBUKOAKNSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1ccn3C)C2 ZINC001096181735 1103779366 /nfs/dbraw/zinc/77/93/66/1103779366.db2.gz ULBOYKWVEKBNNF-LJHODMEESA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccc(C)s1)C2 ZINC001096332463 1103802074 /nfs/dbraw/zinc/80/20/74/1103802074.db2.gz JXLWQMUUGQNSLF-FZKCQIBNSA-N 0 3 318.486 3.458 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC(C)C)c[nH]1)C2 ZINC001096359485 1103809993 /nfs/dbraw/zinc/80/99/93/1103809993.db2.gz HIWJUKMPADKXKS-RYRKJORJSA-N 0 3 315.461 3.124 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001490797976 1103834313 /nfs/dbraw/zinc/83/43/13/1103834313.db2.gz CHYXDFNAXDBOTG-BMFAXAFESA-N 0 3 304.478 3.454 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CCCC1CC1 ZINC001278396690 1103838922 /nfs/dbraw/zinc/83/89/22/1103838922.db2.gz BUGOGEQMCUWWJT-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c3c1CCC3)C2 ZINC001096626801 1103898083 /nfs/dbraw/zinc/89/80/83/1103898083.db2.gz IDUFXCVFQDRAQV-XPGWFJOJSA-N 0 3 324.468 3.395 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@H](C)NCc1cc(O)ccc1Cl ZINC001328351569 1103919343 /nfs/dbraw/zinc/91/93/43/1103919343.db2.gz IADNCCAXQSEBGQ-ZDUSSCGKSA-N 0 3 324.852 3.386 20 30 DGEDHN C=CCC[C@@H](NCc1cc(C(=O)OCC)n[nH]1)c1ccccc1 ZINC001328512638 1103972977 /nfs/dbraw/zinc/97/29/77/1103972977.db2.gz QSVNTSIQWZTBFV-MRXNPFEDSA-N 0 3 313.401 3.384 20 30 DGEDHN CN1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1c1ccccc1 ZINC001137119504 1103993427 /nfs/dbraw/zinc/99/34/27/1103993427.db2.gz RQUUATXTEJLCBV-FQEVSTJZSA-N 0 3 321.424 3.078 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001328686120 1104020547 /nfs/dbraw/zinc/02/05/47/1104020547.db2.gz AXFYJPBYACMDMS-QZTJIDSGSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC001328686346 1104022167 /nfs/dbraw/zinc/02/21/67/1104022167.db2.gz HNAISDKXZGEIMS-IPMKNSEASA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccn(C(C)C)c1C ZINC001328753175 1104055606 /nfs/dbraw/zinc/05/56/06/1104055606.db2.gz PNWONLNRRDQMCB-MRXNPFEDSA-N 0 3 303.450 3.100 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001328753783 1104057590 /nfs/dbraw/zinc/05/75/90/1104057590.db2.gz VLXAUTCTSRXXSM-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001328940554 1104104464 /nfs/dbraw/zinc/10/44/64/1104104464.db2.gz KCKPLBCIVXLINC-LRVUVFPRSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(C)cc2C)C1 ZINC001328949791 1104104481 /nfs/dbraw/zinc/10/44/81/1104104481.db2.gz JGRYGHDKUOLRRM-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C/C(C)(C)C)C12CCC2 ZINC001202664504 1104106397 /nfs/dbraw/zinc/10/63/97/1104106397.db2.gz OOHMIQHKVLEFKK-VVYAQTJFSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202693698 1104121041 /nfs/dbraw/zinc/12/10/41/1104121041.db2.gz CJGYDFILUOIXSU-ZRDIBKRKSA-N 0 3 319.276 3.488 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001278410658 1104125752 /nfs/dbraw/zinc/12/57/52/1104125752.db2.gz OVLUAXWGEXDKIC-CRAIPNDOSA-N 0 3 312.457 3.200 20 30 DGEDHN C#CC[C@H](CCOC)NCc1ccc(F)cc1Br ZINC001329068459 1104143342 /nfs/dbraw/zinc/14/33/42/1104143342.db2.gz VBQQXQRCDMLMBI-CYBMUJFWSA-N 0 3 314.198 3.106 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001278412145 1104152561 /nfs/dbraw/zinc/15/25/61/1104152561.db2.gz XCQBYAUUGUNKIB-BRSBDYLESA-N 0 3 304.478 3.051 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2ccc(C)cc2C)C1 ZINC001278414873 1104203752 /nfs/dbraw/zinc/20/37/52/1104203752.db2.gz UNDQGMXCLGPZPN-FQEVSTJZSA-N 0 3 314.473 3.393 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(CC(C)C)cc2)C1=O ZINC001274199888 1104284784 /nfs/dbraw/zinc/28/47/84/1104284784.db2.gz DVDGKYVBTOAMEL-NRFANRHFSA-N 0 3 324.468 3.085 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001329502060 1104288729 /nfs/dbraw/zinc/28/87/29/1104288729.db2.gz VNPQHQUEIPBIDH-LLVKDONJSA-N 0 3 305.809 3.057 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C(C)C)nc1CC ZINC001329550176 1104312829 /nfs/dbraw/zinc/31/28/29/1104312829.db2.gz PTULBAMIPPIBQS-AWEZNQCLSA-N 0 3 303.450 3.004 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001274498392 1104397879 /nfs/dbraw/zinc/39/78/79/1104397879.db2.gz KQGQUBPOWZAFLC-SREVYHEPSA-N 0 3 318.848 3.191 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C/C=C\c1ccccc1 ZINC001274626217 1104425917 /nfs/dbraw/zinc/42/59/17/1104425917.db2.gz YBIHIIUJUIKBHS-REAYAIGQSA-N 0 3 322.452 3.082 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(C)c1Cl ZINC001274675788 1104452019 /nfs/dbraw/zinc/45/20/19/1104452019.db2.gz MURMDTUJTNDAEV-HZPDHXFCSA-N 0 3 318.848 3.400 20 30 DGEDHN CCCC[C@H](CC)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274686234 1104456062 /nfs/dbraw/zinc/45/60/62/1104456062.db2.gz LSZBBIIDEJHBJN-MJGOQNOKSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001330037656 1104458742 /nfs/dbraw/zinc/45/87/42/1104458742.db2.gz BPPZAOIVLPPLBM-JKSUJKDBSA-N 0 3 300.446 3.225 20 30 DGEDHN CC(C(=O)N[C@H](C)CNCC#Cc1ccccc1)=C1CCCC1 ZINC001274721273 1104468470 /nfs/dbraw/zinc/46/84/70/1104468470.db2.gz CJCOKJKPZQWIRM-MRXNPFEDSA-N 0 3 310.441 3.023 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1sccc1Cl ZINC001274720539 1104469155 /nfs/dbraw/zinc/46/91/55/1104469155.db2.gz YOKGTRMAFBENJF-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001274726762 1104471702 /nfs/dbraw/zinc/47/17/02/1104471702.db2.gz FNLRTLCSDVDNCW-KGLIPLIRSA-N 0 3 322.399 3.314 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001330087438 1104476631 /nfs/dbraw/zinc/47/66/31/1104476631.db2.gz ZFIIUDOAAPOKSY-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001274797759 1104495046 /nfs/dbraw/zinc/49/50/46/1104495046.db2.gz KYTUJJPCNJRAOW-CBCUQQMYSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3ccc(C4CC4)cc3)CC2)C1=O ZINC001274816198 1104500635 /nfs/dbraw/zinc/50/06/35/1104500635.db2.gz DYSFJRTXPTWUNM-UHFFFAOYSA-N 0 3 322.452 3.012 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC(C)C)CCCC2)C(C)(C)C1 ZINC001330240387 1104517954 /nfs/dbraw/zinc/51/79/54/1104517954.db2.gz CIVLYFQJYGANGO-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccsc3Cl)C2)C1=O ZINC001274859737 1104521796 /nfs/dbraw/zinc/52/17/96/1104521796.db2.gz VDPAFMZPKGVVFR-MRXNPFEDSA-N 0 3 324.877 3.402 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CN(CC(=C)C)CC2(C)C)CCCCC1 ZINC001330263174 1104524980 /nfs/dbraw/zinc/52/49/80/1104524980.db2.gz PVFLASIXDUQDNV-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](CN[C@@H](C)c2c(F)cccc2F)C1 ZINC001330569016 1104578925 /nfs/dbraw/zinc/57/89/25/1104578925.db2.gz ASDQKVSMCTTWGY-IHRRRGAJSA-N 0 3 322.399 3.476 20 30 DGEDHN CCCCCCCCN1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001275131897 1104642632 /nfs/dbraw/zinc/64/26/32/1104642632.db2.gz ZXGMNIRUXCFRIR-KDURUIRLSA-N 0 3 319.493 3.260 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001322793717 1104700290 /nfs/dbraw/zinc/70/02/90/1104700290.db2.gz VZONOSIQZGZEOQ-OAHLLOKOSA-N 0 3 318.864 3.486 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC001275544625 1104802810 /nfs/dbraw/zinc/80/28/10/1104802810.db2.gz OYWOQRXQZKIURT-CABCVRRESA-N 0 3 304.409 3.127 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)c1ccco1 ZINC001275709724 1104874150 /nfs/dbraw/zinc/87/41/50/1104874150.db2.gz KNYZCQWJTGGVLF-CYBMUJFWSA-N 0 3 312.841 3.210 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)C(C)(F)F ZINC001275717885 1104878403 /nfs/dbraw/zinc/87/84/03/1104878403.db2.gz OAVYXZPSXJMGFO-NSHDSACASA-N 0 3 310.816 3.104 20 30 DGEDHN C=C(Cc1ccccc1)c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247574537 1104931682 /nfs/dbraw/zinc/93/16/82/1104931682.db2.gz XRTTUSWDQJSSTG-UHFFFAOYSA-N 0 3 318.380 3.033 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001275849422 1104932075 /nfs/dbraw/zinc/93/20/75/1104932075.db2.gz DOZQBOLZQROICK-AWEZNQCLSA-N 0 3 306.425 3.116 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001275904801 1104949302 /nfs/dbraw/zinc/94/93/02/1104949302.db2.gz OAQLKMQOBOSSDD-CABCVRRESA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCCNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC001247731113 1104968078 /nfs/dbraw/zinc/96/80/78/1104968078.db2.gz YVLMRKMZGPJHOY-UHFFFAOYSA-N 0 3 317.502 3.035 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2cc(F)ccc2s1 ZINC001275994474 1104982435 /nfs/dbraw/zinc/98/24/35/1104982435.db2.gz URZLXCSDFGGJAW-LLVKDONJSA-N 0 3 306.406 3.277 20 30 DGEDHN C=CCCCCCCCN1CC2(C1)CN(Cc1cn[nH]c1)C2 ZINC001276043218 1105004312 /nfs/dbraw/zinc/00/43/12/1105004312.db2.gz YMLLPNGUQDXNDR-UHFFFAOYSA-N 0 3 302.466 3.054 20 30 DGEDHN C=CCCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001276041798 1105004617 /nfs/dbraw/zinc/00/46/17/1105004617.db2.gz QFPMMFMXFKKWBH-HDICACEKSA-N 0 3 302.466 3.195 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)cccc1C)C2 ZINC001095481113 1105033022 /nfs/dbraw/zinc/03/30/22/1105033022.db2.gz SXIFTPPBNPLCRP-NEWSRXKRSA-N 0 3 312.457 3.144 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(C)(C)C)C2 ZINC001095590471 1105085866 /nfs/dbraw/zinc/08/58/66/1105085866.db2.gz ZYWZZWRTBJDLPX-MNEFBYGVSA-N 0 3 324.468 3.343 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3ccccc31)C2 ZINC001095710459 1105098789 /nfs/dbraw/zinc/09/87/89/1105098789.db2.gz MOXLKOZRWPEKPV-CCKFTAQKSA-N 0 3 321.424 3.146 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(F)c(Cl)c(F)c3)no2)CCCN1 ZINC001249351748 1105271950 /nfs/dbraw/zinc/27/19/50/1105271950.db2.gz GSVHAHIYZPTZMG-OAHLLOKOSA-N 0 3 323.730 3.270 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(Cl)cc3F)no2)CCCN1 ZINC001249351723 1105271974 /nfs/dbraw/zinc/27/19/74/1105271974.db2.gz FIOXAORGSGFTRX-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(F)c(Cl)cc3F)no2)CCCN1 ZINC001249351782 1105272582 /nfs/dbraw/zinc/27/25/82/1105272582.db2.gz INLSHJVYLZURHL-OAHLLOKOSA-N 0 3 323.730 3.270 20 30 DGEDHN N#Cc1cc(NC2=CC[C@H](N3CCOCC3)CC2)ccc1Cl ZINC001249559638 1105315959 /nfs/dbraw/zinc/31/59/59/1105315959.db2.gz URIPMOFTSZTQGW-INIZCTEOSA-N 0 3 317.820 3.392 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)noc1C(C)C)C2 ZINC001097262994 1105376868 /nfs/dbraw/zinc/37/68/68/1105376868.db2.gz AQOJKOFBMQFWOV-KFWWJZLASA-N 0 3 317.433 3.018 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccc(C)c1)C2 ZINC001097946362 1105477907 /nfs/dbraw/zinc/47/79/07/1105477907.db2.gz RBJDPYOFLLEFNL-OWYHZJEWSA-N 0 3 312.457 3.396 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)C)no1)C2 ZINC001097972673 1105486946 /nfs/dbraw/zinc/48/69/46/1105486946.db2.gz CFLQDDBZDVLMRW-BMFZPTHFSA-N 0 3 317.433 3.099 20 30 DGEDHN Cc1cc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)ccn1 ZINC001137418371 1105519279 /nfs/dbraw/zinc/51/92/79/1105519279.db2.gz YVQMTUZILYGSJB-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCc3ccccc31)C2 ZINC001098077031 1105545161 /nfs/dbraw/zinc/54/51/61/1105545161.db2.gz HSOMPPMKQWRIOB-CUDHKJQZSA-N 0 3 324.468 3.404 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001490920159 1105558809 /nfs/dbraw/zinc/55/88/09/1105558809.db2.gz WEVYGGCJPPTJME-JOCQHMNTSA-N 0 3 317.260 3.126 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccc(C)cc1)C2 ZINC001098240379 1105563449 /nfs/dbraw/zinc/56/34/49/1105563449.db2.gz SQWRJKMWWDPPLR-OWYHZJEWSA-N 0 3 312.457 3.396 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cccc1Cl)C2 ZINC001098265077 1105565172 /nfs/dbraw/zinc/56/51/72/1105565172.db2.gz GLTJBDYAYPISQU-DFBGVHRSSA-N 0 3 322.811 3.390 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)s1)C2 ZINC001098436667 1105575544 /nfs/dbraw/zinc/57/55/44/1105575544.db2.gz OMTDYNHYRRBLGF-KFWWJZLASA-N 0 3 319.474 3.061 20 30 DGEDHN CC(C)c1ccc(OC[C@H](O)CN2CCC[C@@H](C#N)CC2)cc1 ZINC001250758100 1105578238 /nfs/dbraw/zinc/57/82/38/1105578238.db2.gz IQUDLGAXCUNQID-SJLPKXTDSA-N 0 3 316.445 3.175 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)c(CC)c1)C2 ZINC001098535490 1105582881 /nfs/dbraw/zinc/58/28/81/1105582881.db2.gz RWRIQNNMAOCLFS-AQNXPRMDSA-N 0 3 324.468 3.170 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)C[C@@H](NC(=O)CC)c1ccccc1O2 ZINC001098538893 1105583416 /nfs/dbraw/zinc/58/34/16/1105583416.db2.gz PHKRNAGLBDXTSR-VQIMIIECSA-N 0 3 314.429 3.057 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3c2CCCC3)C1 ZINC001098851199 1105608790 /nfs/dbraw/zinc/60/87/90/1105608790.db2.gz HCDQGBCRMAAPSP-UWJYYQICSA-N 0 3 324.468 3.336 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001098990084 1105623971 /nfs/dbraw/zinc/62/39/71/1105623971.db2.gz QMZOWMNFPRNHBG-LPHOPBHVSA-N 0 3 315.461 3.148 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001099025925 1105631529 /nfs/dbraw/zinc/63/15/29/1105631529.db2.gz NIQIYIONHXPNJO-KXBFYZLASA-N 0 3 313.445 3.053 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001099073895 1105638955 /nfs/dbraw/zinc/63/89/55/1105638955.db2.gz DGBXFVJIRKCNHY-ZDUSSCGKSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2oc(CC)cc2C)C1 ZINC001099120905 1105644632 /nfs/dbraw/zinc/64/46/32/1105644632.db2.gz KFTSRKINTKZPBE-KXBFYZLASA-N 0 3 316.445 3.311 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC001251306526 1105648251 /nfs/dbraw/zinc/64/82/51/1105648251.db2.gz IYWDNBVHGMFKHX-YTQUADARSA-N 0 3 318.505 3.156 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C(F)F)CCC1 ZINC001099199952 1105656492 /nfs/dbraw/zinc/65/64/92/1105656492.db2.gz SKOXDQWWDTUDOD-ZDUSSCGKSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001099288932 1105664988 /nfs/dbraw/zinc/66/49/88/1105664988.db2.gz XLCPAQDWRQDKNB-VXGBXAGGSA-N 0 3 320.399 3.224 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(CC)CC ZINC001099347957 1105671658 /nfs/dbraw/zinc/67/16/58/1105671658.db2.gz DEMYCMRRAPIYMF-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCCC ZINC001099402090 1105676473 /nfs/dbraw/zinc/67/64/73/1105676473.db2.gz PVTFGMZXUZDGQQ-YVSFHVDLSA-N 0 3 324.896 3.488 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C(C)=C/CC ZINC001099433363 1105678683 /nfs/dbraw/zinc/67/86/83/1105678683.db2.gz ZXIBULQQSBQAKB-XOUBVOHZSA-N 0 3 322.880 3.264 20 30 DGEDHN N#Cc1ccccc1OC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001251991153 1105719950 /nfs/dbraw/zinc/71/99/50/1105719950.db2.gz IAOFNMSZEZTTPJ-IBGZPJMESA-N 0 3 322.408 3.135 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001491013205 1105735568 /nfs/dbraw/zinc/73/55/68/1105735568.db2.gz GJFFAKPLAOPJHI-HRCADAONSA-N 0 3 316.420 3.317 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001491022681 1105738021 /nfs/dbraw/zinc/73/80/21/1105738021.db2.gz FATWKVSTYJVNJZ-OKILXGFUSA-N 0 3 308.372 3.058 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CCN(C)c2ncccc2C1 ZINC001252128230 1105745115 /nfs/dbraw/zinc/74/51/15/1105745115.db2.gz KTVIYTBZIVXYCJ-SFHVURJKSA-N 0 3 319.493 3.445 20 30 DGEDHN CCCCCCCC[C@H](O)CNCc1cncc(C(=O)OC)c1 ZINC001252138769 1105749183 /nfs/dbraw/zinc/74/91/83/1105749183.db2.gz DHFLNYFMGGDQGD-KRWDZBQOSA-N 0 3 322.449 3.069 20 30 DGEDHN CCCCCCCC[C@H](O)CNCc1ccc(OC)nc1OC ZINC001252139697 1105749732 /nfs/dbraw/zinc/74/97/32/1105749732.db2.gz LOAKZJKHKKZBHK-INIZCTEOSA-N 0 3 324.465 3.300 20 30 DGEDHN CCCCC(=O)N1CCC[C@@H](CNCc2ccccc2C#N)C1 ZINC001491139513 1105761190 /nfs/dbraw/zinc/76/11/90/1105761190.db2.gz RMUBQSJPZBFJIR-INIZCTEOSA-N 0 3 313.445 3.077 20 30 DGEDHN CC[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001491263079 1105790094 /nfs/dbraw/zinc/79/00/94/1105790094.db2.gz CMOGVOPWHRLDCF-VAMGGRTRSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001491279542 1105795444 /nfs/dbraw/zinc/79/54/44/1105795444.db2.gz CBZJEMWYBDDUEP-QZTJIDSGSA-N 0 3 302.462 3.045 20 30 DGEDHN CCCC[C@H](CC)COC[C@H](O)CNCc1ccc(C#N)s1 ZINC001253026072 1105879513 /nfs/dbraw/zinc/87/95/13/1105879513.db2.gz PMVKOYVVMNWTAP-LSDHHAIUSA-N 0 3 324.490 3.303 20 30 DGEDHN C[C@@](O)(CN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001253091596 1105886100 /nfs/dbraw/zinc/88/61/00/1105886100.db2.gz YMJMLZXLHAQTRY-HXUWFJFHSA-N 0 3 320.436 3.451 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCC[C@@H](C)CCC)C[C@]2(C)C1 ZINC001101250854 1105903689 /nfs/dbraw/zinc/90/36/89/1105903689.db2.gz PLKQYSMCPSGIOO-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1cccc2c1OCCO2 ZINC001253249320 1105911193 /nfs/dbraw/zinc/91/11/93/1105911193.db2.gz JGGIAKYFWQDARU-KRWDZBQOSA-N 0 3 319.445 3.435 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@@H](CO)c1ccc(OC)cc1 ZINC001253251761 1105911768 /nfs/dbraw/zinc/91/17/68/1105911768.db2.gz ODVZFZFHNPHYPQ-HKUYNNGSSA-N 0 3 321.461 3.206 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001101346844 1105912726 /nfs/dbraw/zinc/91/27/26/1105912726.db2.gz KAKNSCKCFVWIDX-AEFFLSMTSA-N 0 3 318.486 3.385 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1cc(OCC)ccn1 ZINC001253255783 1105913678 /nfs/dbraw/zinc/91/36/78/1105913678.db2.gz MWQKFTIHFOGNBI-QGZVFWFLSA-N 0 3 306.450 3.457 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCC(C)C)C[C@]2(C)C1 ZINC001101399218 1105916598 /nfs/dbraw/zinc/91/65/98/1105916598.db2.gz PHWGDZZSTCXSOM-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN N#Cc1ccc(C2(NC[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC001253381326 1105932576 /nfs/dbraw/zinc/93/25/76/1105932576.db2.gz WSEJYZUSWOWBQM-KRWDZBQOSA-N 0 3 314.335 3.149 20 30 DGEDHN C=C[C@H](O)CN1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001253586814 1105961609 /nfs/dbraw/zinc/96/16/09/1105961609.db2.gz RZDAEUJGZDSBHP-FQEVSTJZSA-N 0 3 308.425 3.023 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001278747983 1106000715 /nfs/dbraw/zinc/00/07/15/1106000715.db2.gz VWTJQXMMMJZIEU-ZDUSSCGKSA-N 0 3 302.409 3.072 20 30 DGEDHN C#CC1CCN([C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254283815 1106050238 /nfs/dbraw/zinc/05/02/38/1106050238.db2.gz AJIZXXRAFUUZIF-INIZCTEOSA-N 0 3 304.231 3.262 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001331919739 1106071927 /nfs/dbraw/zinc/07/19/27/1106071927.db2.gz OTNKGDLEANCENC-QWHCGFSZSA-N 0 3 317.260 3.078 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OC2CCOCC2)C1 ZINC001254646163 1106120540 /nfs/dbraw/zinc/12/05/40/1106120540.db2.gz KXKHOGPSURGKAQ-HOCLYGCPSA-N 0 3 300.402 3.026 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccc3nnc(-c4ccccc4)n3c2)C1 ZINC001254649000 1106121699 /nfs/dbraw/zinc/12/16/99/1106121699.db2.gz PNQTXIQDECZBRE-WMLDXEAASA-N 0 3 317.396 3.178 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3nnc(-c4ccccc4)n3c2)C1 ZINC001254648999 1106121827 /nfs/dbraw/zinc/12/18/27/1106121827.db2.gz PNQTXIQDECZBRE-RHSMWYFYSA-N 0 3 317.396 3.178 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cncn2Cc2ccccc2Cl)C1 ZINC001254657297 1106124250 /nfs/dbraw/zinc/12/42/50/1106124250.db2.gz OKSDEJAGNVZVOK-HIFRSBDPSA-N 0 3 314.820 3.367 20 30 DGEDHN C[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001254659958 1106126900 /nfs/dbraw/zinc/12/69/00/1106126900.db2.gz FKLZDUHHWHIPQI-ILXRZTDVSA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1[C@H]1CC[C@@H](C#N)C1 ZINC001254667306 1106127709 /nfs/dbraw/zinc/12/77/09/1106127709.db2.gz ANYZXQZSSAHQQX-KBXIAJHMSA-N 0 3 307.438 3.056 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001254669491 1106128847 /nfs/dbraw/zinc/12/88/47/1106128847.db2.gz RWVRXLHNUHNEBU-WMLDXEAASA-N 0 3 324.428 3.191 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CCCN([C@H]1CC[C@H](C#N)C1)C2 ZINC001254669552 1106128893 /nfs/dbraw/zinc/12/88/93/1106128893.db2.gz SOJXBVJYQCGVAE-GJZGRUSLSA-N 0 3 319.449 3.012 20 30 DGEDHN COc1cccc(O[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254670091 1106130017 /nfs/dbraw/zinc/13/00/17/1106130017.db2.gz YYBZPTYSYQQNPO-RVKKMQEKSA-N 0 3 300.402 3.231 20 30 DGEDHN C[C@@H](CC#N)N[C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254733420 1106137418 /nfs/dbraw/zinc/13/74/18/1106137418.db2.gz JHHAFQNQYUZREF-GJZGRUSLSA-N 0 3 321.465 3.448 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001103027783 1106141835 /nfs/dbraw/zinc/14/18/35/1106141835.db2.gz AWPVTABTXGQAJX-UKRRQHHQSA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001103263492 1106185367 /nfs/dbraw/zinc/18/53/67/1106185367.db2.gz ANZPAYFPJJVYSW-BVOVVCLWSA-N 0 3 324.896 3.249 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2c(F)cccc2F)CC1 ZINC001255160074 1106193884 /nfs/dbraw/zinc/19/38/84/1106193884.db2.gz FQIPTRYCBOIDMO-ZDUSSCGKSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@@H](CC#N)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001255172410 1106198239 /nfs/dbraw/zinc/19/82/39/1106198239.db2.gz OVHFPABAXJSKQD-SJORKVTESA-N 0 3 317.477 3.087 20 30 DGEDHN CC[C@H](CC#N)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC001255178871 1106200864 /nfs/dbraw/zinc/20/08/64/1106200864.db2.gz KVXNZQXLBUTMGY-MRXNPFEDSA-N 0 3 303.425 3.414 20 30 DGEDHN CCCCN(CCC#N)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255206507 1106205230 /nfs/dbraw/zinc/20/52/30/1106205230.db2.gz COYXVVGTTKMFGS-MUJYYYPQSA-N 0 3 307.438 3.154 20 30 DGEDHN CCOC(=O)[C@@H]1CCC[C@H](N2CCc3ccc(C#N)cc3C2)C1 ZINC001255355554 1106231856 /nfs/dbraw/zinc/23/18/56/1106231856.db2.gz CNKCALAXQGXOAA-AEFFLSMTSA-N 0 3 312.413 3.038 20 30 DGEDHN C=CCN1CCC[C@H](N[C@@H](C)CSc2ccc(C)cc2)C1=O ZINC001255754205 1106309569 /nfs/dbraw/zinc/30/95/69/1106309569.db2.gz CDXQXYZDZFGJTJ-RDJZCZTQSA-N 0 3 318.486 3.242 20 30 DGEDHN Cc1ccc(C[C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC001255794829 1106318935 /nfs/dbraw/zinc/31/89/35/1106318935.db2.gz ZMABWZCUYGKCIF-QGZVFWFLSA-N 0 3 320.440 3.015 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(F)c(F)c1)C(C)C ZINC001278908887 1106366483 /nfs/dbraw/zinc/36/64/83/1106366483.db2.gz ZKUNYXNWYUEYEL-UHFFFAOYSA-N 0 3 310.388 3.323 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(Cl)cc1F)C(C)C ZINC001278912196 1106371873 /nfs/dbraw/zinc/37/18/73/1106371873.db2.gz LQPBLPOLBKJROU-UHFFFAOYSA-N 0 3 312.816 3.448 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1csc(C(C)C)n1)C(C)C ZINC001278922175 1106396977 /nfs/dbraw/zinc/39/69/77/1106396977.db2.gz KMXAKRWOIQFXJF-UHFFFAOYSA-N 0 3 321.490 3.072 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001278940982 1106430710 /nfs/dbraw/zinc/43/07/10/1106430710.db2.gz XYOWNSVQBDLAPW-WFASDCNBSA-N 0 3 321.490 3.286 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001278951674 1106456216 /nfs/dbraw/zinc/45/62/16/1106456216.db2.gz VAZWQAHJSWEBSG-GIXCSOPHSA-N 0 3 319.474 3.206 20 30 DGEDHN N#CC1CCC(N2CCN(c3noc4ccccc43)CC2)CC1 ZINC001256965517 1106517806 /nfs/dbraw/zinc/51/78/06/1106517806.db2.gz VLSIKXIEGDPJRB-UHFFFAOYSA-N 0 3 310.401 3.032 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001279003333 1106555785 /nfs/dbraw/zinc/55/57/85/1106555785.db2.gz WTDIQRMHVRUTQY-WMLDXEAASA-N 0 3 323.506 3.366 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H](CC)CCCC ZINC001257423876 1106586766 /nfs/dbraw/zinc/58/67/66/1106586766.db2.gz WUHSLEXZRYIJDA-NVXWUHKLSA-N 0 3 305.466 3.491 20 30 DGEDHN C[C@@H](CC#N)N[C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257809242 1106630885 /nfs/dbraw/zinc/63/08/85/1106630885.db2.gz ZOOUQKGRNDAKIX-MPGHIAIKSA-N 0 3 321.465 3.448 20 30 DGEDHN C=C1C[C@@H]2CC(N3CCCC[C@@]34CC(=O)N(C)C4)C[C@H](C1)C2 ZINC001257892248 1106642615 /nfs/dbraw/zinc/64/26/15/1106642615.db2.gz WMJSQTRYQKOFOE-RZRMAFQFSA-N 0 3 302.462 3.208 20 30 DGEDHN CCCCCCC[C@H](C)N1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001258047654 1106664097 /nfs/dbraw/zinc/66/40/97/1106664097.db2.gz NJSFAOBUSOACEC-HKUYNNGSSA-N 0 3 324.509 3.449 20 30 DGEDHN CCOC(=O)CCC[C@@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001258119711 1106677277 /nfs/dbraw/zinc/67/72/77/1106677277.db2.gz JTVSYJLOXWDAPB-CQSZACIVSA-N 0 3 300.402 3.038 20 30 DGEDHN CCc1cccc(CN2CCC(N(C)C(=O)C#CC3CC3)CC2)c1 ZINC001316931482 1106777922 /nfs/dbraw/zinc/77/79/22/1106777922.db2.gz VPAPUOWEIGZNKG-UHFFFAOYSA-N 0 3 324.468 3.085 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001316944947 1106798312 /nfs/dbraw/zinc/79/83/12/1106798312.db2.gz NAIVKJUSUXVENM-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001320034670 1106806033 /nfs/dbraw/zinc/80/60/33/1106806033.db2.gz UXIPJRQEDUYMTC-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001316950912 1106813477 /nfs/dbraw/zinc/81/34/77/1106813477.db2.gz FIAADCOQYMVEIM-SJLPKXTDSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H]1CCC(C)(C)C1 ZINC001258606390 1106845670 /nfs/dbraw/zinc/84/56/70/1106845670.db2.gz WUYFASCDBXIOOY-HOCLYGCPSA-N 0 3 303.450 3.101 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)CCCCCc2cccs2)C1 ZINC001316990329 1106866753 /nfs/dbraw/zinc/86/67/53/1106866753.db2.gz MIBQLSVRVKHCET-INIZCTEOSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CCc2ccoc2)CC1 ZINC001317003952 1106886987 /nfs/dbraw/zinc/88/69/87/1106886987.db2.gz GDPXXPLXJKGFJI-UHFFFAOYSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nc(C)cs1 ZINC001320151960 1106902580 /nfs/dbraw/zinc/90/25/80/1106902580.db2.gz JYXJAPVLOJUPBD-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317090918 1106989051 /nfs/dbraw/zinc/98/90/51/1106989051.db2.gz WNILUZMTGDTYNC-FHWLQOOXSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C[C@H](COC)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC001320471051 1107015245 /nfs/dbraw/zinc/01/52/45/1107015245.db2.gz PGMJQENKBXKQSI-ZYHUDNBSSA-N 0 3 314.223 3.315 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001317131968 1107033147 /nfs/dbraw/zinc/03/31/47/1107033147.db2.gz VNRXVFPHCUJVAT-ATYVUACHSA-N 0 3 324.468 3.187 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cc2ccccc2o1 ZINC001320511993 1107035590 /nfs/dbraw/zinc/03/55/90/1107035590.db2.gz KNGJRPSITQCLSA-CYBMUJFWSA-N 0 3 320.820 3.212 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2nc(C)cs2)CCC1 ZINC001320545447 1107050387 /nfs/dbraw/zinc/05/03/87/1107050387.db2.gz YDAULVQXBJPXEX-CYBMUJFWSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001317154980 1107059002 /nfs/dbraw/zinc/05/90/02/1107059002.db2.gz MAZVXLAZKXIHSO-JGWKKKPCSA-N 0 3 319.276 3.490 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001317180700 1107101885 /nfs/dbraw/zinc/10/18/85/1107101885.db2.gz MMBYTIMAEJASHY-IEBWSBKVSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001317180702 1107102156 /nfs/dbraw/zinc/10/21/56/1107102156.db2.gz MMBYTIMAEJASHY-PKOBYXMFSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001317181734 1107103623 /nfs/dbraw/zinc/10/36/23/1107103623.db2.gz VYFGUMJVNSALJR-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N[C@@H](C)c1ccccc1F ZINC001317239324 1107163629 /nfs/dbraw/zinc/16/36/29/1107163629.db2.gz BSTFBQPPYOXJIU-KBPBESRZSA-N 0 3 304.409 3.031 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001492490413 1107205066 /nfs/dbraw/zinc/20/50/66/1107205066.db2.gz MIKVXIMCSJYVBL-LLVKDONJSA-N 0 3 300.855 3.129 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001317340889 1107244559 /nfs/dbraw/zinc/24/45/59/1107244559.db2.gz NTSFLWQTBCHBTN-YFBAIUBQSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H](C)C(C)C)cc1 ZINC001317368868 1107272381 /nfs/dbraw/zinc/27/23/81/1107272381.db2.gz SHQBYJDXSCQHFQ-HNNXBMFYSA-N 0 3 322.880 3.480 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C(F)=C1CCCC1 ZINC001321488092 1107362789 /nfs/dbraw/zinc/36/27/89/1107362789.db2.gz GLAICVHRPJLCTO-LLVKDONJSA-N 0 3 321.421 3.012 20 30 DGEDHN CC(C)CC(C)(C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001321703653 1107414797 /nfs/dbraw/zinc/41/47/97/1107414797.db2.gz XGUXOCFXCCORFE-CYBMUJFWSA-N 0 3 321.490 3.286 20 30 DGEDHN CCN(CCNC(=O)C#CC1CC1)[C@H](C)c1cccc(Cl)c1 ZINC001317479544 1107435455 /nfs/dbraw/zinc/43/54/55/1107435455.db2.gz HWNXQCZALSPBCL-CQSZACIVSA-N 0 3 318.848 3.253 20 30 DGEDHN C=CCN(CC)CCNC(=O)Cc1ccc(C2CCC2)cc1 ZINC001317484250 1107438700 /nfs/dbraw/zinc/43/87/00/1107438700.db2.gz OTJWWOOCOCJPIY-UHFFFAOYSA-N 0 3 300.446 3.121 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](F)CC1CCCCC1 ZINC001317547362 1107516029 /nfs/dbraw/zinc/51/60/29/1107516029.db2.gz KVVWSTGXHUXYDU-QGZVFWFLSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001322273112 1107603858 /nfs/dbraw/zinc/60/38/58/1107603858.db2.gz CWIXBKAKDHUIGZ-OAHLLOKOSA-N 0 3 302.462 3.149 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc2ccccn2c1)c1ccccc1 ZINC001317724878 1107625192 /nfs/dbraw/zinc/62/51/92/1107625192.db2.gz PGOCVKBIZMSLKN-LJQANCHMSA-N 0 3 319.408 3.186 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001317727447 1107626497 /nfs/dbraw/zinc/62/64/97/1107626497.db2.gz AIMXLXAFNIZSHH-IKGGRYGDSA-N 0 3 317.477 3.230 20 30 DGEDHN CN(CCCNCc1ccccc1C#N)C(=O)/C=C\C(C)(C)C ZINC001322442791 1107674250 /nfs/dbraw/zinc/67/42/50/1107674250.db2.gz PBWGBZOANRRJCG-KHPPLWFESA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2cc(C)cn2c1 ZINC001322540398 1107701059 /nfs/dbraw/zinc/70/10/59/1107701059.db2.gz OKKIRMWYICWOIZ-UHFFFAOYSA-N 0 3 319.836 3.052 20 30 DGEDHN CCC1(C(=O)N2CC[C@@H](CN(C)CC#Cc3ccccc3)C2)CC1 ZINC001317853265 1107708407 /nfs/dbraw/zinc/70/84/07/1107708407.db2.gz JZJIWMMCAOJPDW-IBGZPJMESA-N 0 3 324.468 3.009 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001317944423 1107755780 /nfs/dbraw/zinc/75/57/80/1107755780.db2.gz KFSXHUDEQBFRLV-GDBMZVCRSA-N 0 3 314.420 3.215 20 30 DGEDHN COc1ccc(CNN=Cc2ccc(N3CCCC3)cc2)cc1 ZINC001317946277 1107759026 /nfs/dbraw/zinc/75/90/26/1107759026.db2.gz MEQAYFOHTXXPJI-UHFFFAOYSA-N 0 3 309.413 3.419 20 30 DGEDHN C#CCCCC(=O)N[C@H](CNCc1sccc1Cl)C1CC1 ZINC001322991879 1107800163 /nfs/dbraw/zinc/80/01/63/1107800163.db2.gz PGISWKASCAYBBP-CQSZACIVSA-N 0 3 324.877 3.189 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001323065780 1107822093 /nfs/dbraw/zinc/82/20/93/1107822093.db2.gz WJIILAPZNDFLBE-MJGOQNOKSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ncc(C)s2)[C@H](CC)C1 ZINC001323129557 1107845215 /nfs/dbraw/zinc/84/52/15/1107845215.db2.gz MFISWVXQVPISKV-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)s1 ZINC001318185060 1107882837 /nfs/dbraw/zinc/88/28/37/1107882837.db2.gz RAIAJVPDTMNXMY-SNPRPXQTSA-N 0 3 304.459 3.310 20 30 DGEDHN CC1CCC(CN2CC[C@@H]2CNC(=O)C#CC(C)(C)C)CC1 ZINC001323225803 1107890301 /nfs/dbraw/zinc/89/03/01/1107890301.db2.gz KJDBTRGGDCDCLY-OFLPRAFFSA-N 0 3 304.478 3.053 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1CCN1CC1CCC(C)(C)CC1 ZINC001323234102 1107896351 /nfs/dbraw/zinc/89/63/51/1107896351.db2.gz YBBDTNYOWOVGNL-KRWDZBQOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1C ZINC001318228603 1107908199 /nfs/dbraw/zinc/90/81/99/1107908199.db2.gz OHKMTNQVQHJVGL-BZSNNMDCSA-N 0 3 312.457 3.350 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC[C@H]1CCc2ccccc21 ZINC001323356330 1107948123 /nfs/dbraw/zinc/94/81/23/1107948123.db2.gz ILZILMIVGROGMA-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC001263133922 1107957687 /nfs/dbraw/zinc/95/76/87/1107957687.db2.gz HPCOZHAUPCTKRY-OKZBNKHCSA-N 0 3 324.509 3.482 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC(C)(C)CC(F)F)C1 ZINC001318416449 1107990274 /nfs/dbraw/zinc/99/02/74/1107990274.db2.gz NWBCCWFWRHDAJO-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc(CC)cc3)CC2)C1 ZINC001323540320 1108004840 /nfs/dbraw/zinc/00/48/40/1108004840.db2.gz MFBJCDKYTFBEBP-UHFFFAOYSA-N 0 3 312.457 3.344 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC001263374036 1108028671 /nfs/dbraw/zinc/02/86/71/1108028671.db2.gz YURACEQODANQKO-XGUWZRRLSA-N 0 3 318.373 3.283 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001318471910 1108034403 /nfs/dbraw/zinc/03/44/03/1108034403.db2.gz GFUZEOFGDZGXAI-DUMMIQTOSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001318471913 1108034542 /nfs/dbraw/zinc/03/45/42/1108034542.db2.gz GFUZEOFGDZGXAI-OOFWQKGWSA-N 0 3 316.420 3.338 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001323872218 1108108436 /nfs/dbraw/zinc/10/84/36/1108108436.db2.gz IQORLPBUEKJDLW-QFBILLFUSA-N 0 3 304.478 3.006 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001263615927 1108110186 /nfs/dbraw/zinc/11/01/86/1108110186.db2.gz JGMJANBBWZADIS-SDDRHHMPSA-N 0 3 305.809 3.466 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001263616058 1108110808 /nfs/dbraw/zinc/11/08/08/1108110808.db2.gz MVLLYDQBKDCCNQ-CZUORRHYSA-N 0 3 313.376 3.487 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001323874798 1108111167 /nfs/dbraw/zinc/11/11/67/1108111167.db2.gz YWDQUZNHPLRKRM-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(OC)cc(Cl)c1F ZINC001263617072 1108111741 /nfs/dbraw/zinc/11/17/41/1108111741.db2.gz TUEXHPYQYGGEQW-NSHDSACASA-N 0 3 321.739 3.194 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1c(C)cccc1Cl ZINC001263802571 1108206678 /nfs/dbraw/zinc/20/66/78/1108206678.db2.gz QAOGLHXXMXNMRF-HNNXBMFYSA-N 0 3 320.864 3.300 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1nocc1C ZINC001263817204 1108228626 /nfs/dbraw/zinc/22/86/26/1108228626.db2.gz QALGPVFONBQTDG-OAHLLOKOSA-N 0 3 307.438 3.100 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001263821666 1108233656 /nfs/dbraw/zinc/23/36/56/1108233656.db2.gz XAGNYZUPDIWGOX-RHSMWYFYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC001324319110 1108248727 /nfs/dbraw/zinc/24/87/27/1108248727.db2.gz TYAAINQDOUQVMQ-SNAWJCMRSA-N 0 3 316.420 3.386 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCCOc2ccccc2F)C1 ZINC001324330570 1108252367 /nfs/dbraw/zinc/25/23/67/1108252367.db2.gz QXMJZZPSYLMTDC-UHFFFAOYSA-N 0 3 310.372 3.418 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001324352278 1108261189 /nfs/dbraw/zinc/26/11/89/1108261189.db2.gz COIWRQYKFPLRCT-UHFFFAOYSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1C=CCC1)C1CCN(CC=C(C)C)CC1 ZINC001324364179 1108265537 /nfs/dbraw/zinc/26/55/37/1108265537.db2.gz CVAJCIOZGWKKHJ-GOSISDBHSA-N 0 3 314.473 3.235 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1ccns1)C1CCCC1 ZINC001324493725 1108314205 /nfs/dbraw/zinc/31/42/05/1108314205.db2.gz DCCKAXFMAFLQOA-OAHLLOKOSA-N 0 3 321.490 3.120 20 30 DGEDHN O=C(C1CCC1)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001264112711 1108377175 /nfs/dbraw/zinc/37/71/75/1108377175.db2.gz IOCQQMKCJQPHFK-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl ZINC001319241773 1108380391 /nfs/dbraw/zinc/38/03/91/1108380391.db2.gz JBYBNJZXYLFOHX-WBOGTDJTSA-N 0 3 307.265 3.250 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001324660200 1108409499 /nfs/dbraw/zinc/40/94/99/1108409499.db2.gz FWBHCBDJADGBFC-IBGZPJMESA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCOc2ccccc2)C1 ZINC001324669621 1108415245 /nfs/dbraw/zinc/41/52/45/1108415245.db2.gz PNAQPZMFBZABNT-LJQANCHMSA-N 0 3 316.445 3.002 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001324671562 1108416947 /nfs/dbraw/zinc/41/69/47/1108416947.db2.gz FCMXOLIZCJJWSQ-FXAWDEMLSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccc(CC)cc2)C1 ZINC001324673865 1108418278 /nfs/dbraw/zinc/41/82/78/1108418278.db2.gz OQRJFMZGICGVFG-HXUWFJFHSA-N 0 3 314.473 3.338 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001324673302 1108419191 /nfs/dbraw/zinc/41/91/91/1108419191.db2.gz LHCHOOPRYJAZTR-VQIMIIECSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)CC(C)C)C2 ZINC001264188341 1108424660 /nfs/dbraw/zinc/42/46/60/1108424660.db2.gz DVPZCXDSYNFOPE-UHFFFAOYSA-N 0 3 321.490 3.130 20 30 DGEDHN C=CCO[C@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001324704611 1108434736 /nfs/dbraw/zinc/43/47/36/1108434736.db2.gz NTFURXIJWDNZOX-GJZGRUSLSA-N 0 3 315.335 3.016 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001319436633 1108465824 /nfs/dbraw/zinc/46/58/24/1108465824.db2.gz KCKHUOCYYJHVQH-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cc2ccccc2o1 ZINC001264366466 1108473453 /nfs/dbraw/zinc/47/34/53/1108473453.db2.gz DSSMPECRBZIAKN-MRXNPFEDSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001264368659 1108475937 /nfs/dbraw/zinc/47/59/37/1108475937.db2.gz JHLDWLDHUZVJNI-AWEZNQCLSA-N 0 3 306.475 3.036 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001319463918 1108481161 /nfs/dbraw/zinc/48/11/61/1108481161.db2.gz LARCQGFXWIRSAN-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001264377945 1108491507 /nfs/dbraw/zinc/49/15/07/1108491507.db2.gz APXWSASPPJXWLB-KRWDZBQOSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001264378789 1108491698 /nfs/dbraw/zinc/49/16/98/1108491698.db2.gz QZBPKBTVRMZKTD-SWLSCSKDSA-N 0 3 321.490 3.261 20 30 DGEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1CCCCC1 ZINC001264384255 1108498523 /nfs/dbraw/zinc/49/85/23/1108498523.db2.gz RRBMUXROZCXXFA-PUZFROQSSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001324904519 1108500945 /nfs/dbraw/zinc/50/09/45/1108500945.db2.gz IQJKNIFCUKJISR-KRWDZBQOSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001324942899 1108525773 /nfs/dbraw/zinc/52/57/73/1108525773.db2.gz BCQNJKOHNRBKRS-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001264473468 1108545742 /nfs/dbraw/zinc/54/57/42/1108545742.db2.gz LKOOCEYZOQAMFU-UONOGXRCSA-N 0 3 321.490 3.038 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCCC(C)C ZINC001264585611 1108579519 /nfs/dbraw/zinc/57/95/19/1108579519.db2.gz DROGXTCRPIMEPL-NZSAHSFTSA-N 0 3 318.505 3.441 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@@H](C)C1 ZINC001319688271 1108595124 /nfs/dbraw/zinc/59/51/24/1108595124.db2.gz BABYCOYUTDNAHV-IBYDIOTISA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccc(C)cc2)[C@H]1C ZINC001264717819 1108629418 /nfs/dbraw/zinc/62/94/18/1108629418.db2.gz LYQGDWOONTWRAR-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1CCC1)c1ccccc1CC ZINC001325363185 1108633602 /nfs/dbraw/zinc/63/36/02/1108633602.db2.gz QZKQPFBCEUNXRJ-SFHVURJKSA-N 0 3 300.446 3.372 20 30 DGEDHN C=C1CCC(C(=O)N2CCCC[C@H]2CN(C)CCOCC)CC1 ZINC001264742792 1108641066 /nfs/dbraw/zinc/64/10/66/1108641066.db2.gz HNHVGUPRPSNIML-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(OC)c(C)c1 ZINC001264744230 1108643408 /nfs/dbraw/zinc/64/34/08/1108643408.db2.gz NUFJBRNMRPTTBV-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)CC(C)(C)C1 ZINC001264753285 1108650409 /nfs/dbraw/zinc/65/04/09/1108650409.db2.gz FBSGEHBJFVDYLT-IRXDYDNUSA-N 0 3 306.494 3.299 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001319898772 1108686711 /nfs/dbraw/zinc/68/67/11/1108686711.db2.gz LDSIZBXPVMVCSM-RPXHZFJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc2ccccn2c1)C(C)C ZINC001319948163 1108709714 /nfs/dbraw/zinc/70/97/14/1108709714.db2.gz TZXSUIZYSRMMSW-INIZCTEOSA-N 0 3 319.836 3.036 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)CCc2cccc(F)c2F)CC1 ZINC001265201502 1108771936 /nfs/dbraw/zinc/77/19/36/1108771936.db2.gz PXVISVKUIKEYMX-UHFFFAOYSA-N 0 3 322.399 3.006 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001265212659 1108780796 /nfs/dbraw/zinc/78/07/96/1108780796.db2.gz DHYRWQPLKHLNAC-FUHWJXTLSA-N 0 3 310.441 3.050 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001265279310 1108802895 /nfs/dbraw/zinc/80/28/95/1108802895.db2.gz QNMSKCWHHIHYIF-FQEVSTJZSA-N 0 3 324.468 3.448 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001265286349 1108805967 /nfs/dbraw/zinc/80/59/67/1108805967.db2.gz SVKRWVDGXRAMLX-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001265297146 1108810689 /nfs/dbraw/zinc/81/06/89/1108810689.db2.gz KUCGEAHUOUYPBO-QGZVFWFLSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001265306200 1108817683 /nfs/dbraw/zinc/81/76/83/1108817683.db2.gz LCOFKAVTRBRSOV-FUHWJXTLSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001265312732 1108822317 /nfs/dbraw/zinc/82/23/17/1108822317.db2.gz UMOMMHJHLYBTKS-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cncc(Cl)c2)CC1 ZINC001265341584 1108834741 /nfs/dbraw/zinc/83/47/41/1108834741.db2.gz UUTURSKJJVQLTH-UHFFFAOYSA-N 0 3 321.852 3.238 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC001265384884 1108853968 /nfs/dbraw/zinc/85/39/68/1108853968.db2.gz RMFYMZNMPOLWJS-FQEVSTJZSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001265408296 1108864945 /nfs/dbraw/zinc/86/49/45/1108864945.db2.gz DKFWPPYQPBQLLT-SFFUCWETSA-N 0 3 302.462 3.064 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)CCCC2CCCCC2)C1 ZINC001265594679 1108926447 /nfs/dbraw/zinc/92/64/47/1108926447.db2.gz HXIPCYBFGGRWFH-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCCCCCN1CCCC[C@H]1CNC(=O)C(=O)C(C)(C)C ZINC001265641269 1108945007 /nfs/dbraw/zinc/94/50/07/1108945007.db2.gz SSRYBVBXNPWZKN-INIZCTEOSA-N 0 3 322.493 3.319 20 30 DGEDHN Cc1ccc(CN2CCCC[C@H]2CNC(=O)C#CC(C)C)cc1 ZINC001265644786 1108946024 /nfs/dbraw/zinc/94/60/24/1108946024.db2.gz BQIYWOZAWJIQHZ-IBGZPJMESA-N 0 3 312.457 3.125 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001265707845 1108979106 /nfs/dbraw/zinc/97/91/06/1108979106.db2.gz GPFIIKRADJLVIJ-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001265811586 1109011000 /nfs/dbraw/zinc/01/10/00/1109011000.db2.gz URVFXBFTBDVWSO-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001265926914 1109044150 /nfs/dbraw/zinc/04/41/50/1109044150.db2.gz PLIWCVCBZBWXEA-INIZCTEOSA-N 0 3 308.372 3.012 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCCC[C@@H]1C1CC1)C1CC1 ZINC001266149936 1109108480 /nfs/dbraw/zinc/10/84/80/1109108480.db2.gz MFWRREABQAQBSD-MOPGFXCFSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cccc(CC)c1 ZINC001266156143 1109110193 /nfs/dbraw/zinc/11/01/93/1109110193.db2.gz VYOOMLONEZUOIB-CQSZACIVSA-N 0 3 308.853 3.028 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001266191677 1109121759 /nfs/dbraw/zinc/12/17/59/1109121759.db2.gz HPRFGXRUMUWGAD-KSSFIOAISA-N 0 3 320.864 3.127 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001266195367 1109122923 /nfs/dbraw/zinc/12/29/23/1109122923.db2.gz UQFHGLJBYIQLID-KRWDZBQOSA-N 0 3 310.457 3.404 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001266214718 1109129546 /nfs/dbraw/zinc/12/95/46/1109129546.db2.gz FXAAJCFHVJYZTB-RTBURBONSA-N 0 3 312.457 3.378 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001266236153 1109135477 /nfs/dbraw/zinc/13/54/77/1109135477.db2.gz DYFUJZQNPZXNNL-IBGZPJMESA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCc2ccc(F)cc2)C1 ZINC001266240438 1109137338 /nfs/dbraw/zinc/13/73/38/1109137338.db2.gz VPDWZFIWZITHSV-GOSISDBHSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2cccc(F)c2F)C1 ZINC001279273217 1109143755 /nfs/dbraw/zinc/14/37/55/1109143755.db2.gz CNROCWVGCDLMIF-UHFFFAOYSA-N 0 3 322.399 3.256 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC12CC2 ZINC001279311296 1109146772 /nfs/dbraw/zinc/14/67/72/1109146772.db2.gz JDBFKSBLFCDHDE-IBGZPJMESA-N 0 3 324.468 3.208 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccc(F)c2C)C1 ZINC001280050045 1109172563 /nfs/dbraw/zinc/17/25/63/1109172563.db2.gz AMRQYTUHYUSCDZ-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC001280333867 1109186976 /nfs/dbraw/zinc/18/69/76/1109186976.db2.gz PKKBFHXIEDTKRH-ZWKOTPCHSA-N 0 3 300.446 3.213 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C/C=C(\C)C=C ZINC001280333463 1109187134 /nfs/dbraw/zinc/18/71/34/1109187134.db2.gz LPYBIJYGQUHROO-SFQUDFHCSA-N 0 3 310.441 3.280 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CC1CC(F)(F)C1 ZINC001316606639 1109262593 /nfs/dbraw/zinc/26/25/93/1109262593.db2.gz WZBBSAKNXJBJPI-GOEBONIOSA-N 0 3 314.420 3.167 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(Cl)cc1C ZINC001280850930 1109263327 /nfs/dbraw/zinc/26/33/27/1109263327.db2.gz VUBHKDIMYANZKS-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001316607855 1109279918 /nfs/dbraw/zinc/27/99/18/1109279918.db2.gz DVCINJFFPBYFSL-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001281555699 1109379804 /nfs/dbraw/zinc/37/98/04/1109379804.db2.gz HQAODWUFVFNTLM-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(F)c2occc21 ZINC001281768174 1109405350 /nfs/dbraw/zinc/40/53/50/1109405350.db2.gz JCPLTTNGROMIKO-NSHDSACASA-N 0 3 324.783 3.422 20 30 DGEDHN C=CCCC(=O)NC[C@H]1c2ccccc2CCN1CC[C@H](C)F ZINC001281777565 1109406864 /nfs/dbraw/zinc/40/68/64/1109406864.db2.gz VTXRUISXKMCJLP-YJBOKZPZSA-N 0 3 318.436 3.416 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1CC[C@@H](C)F ZINC001281777559 1109407054 /nfs/dbraw/zinc/40/70/54/1109407054.db2.gz VTXRUISXKMCJLP-CRAIPNDOSA-N 0 3 318.436 3.416 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](C)CC)CC1 ZINC001281824342 1109409324 /nfs/dbraw/zinc/40/93/24/1109409324.db2.gz CYSVFYYRDGJDBO-CYBMUJFWSA-N 0 3 300.874 3.346 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1C ZINC001281940707 1109418097 /nfs/dbraw/zinc/41/80/97/1109418097.db2.gz VQSZQVAJXWRPDK-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1ccccc1C ZINC001281968511 1109424514 /nfs/dbraw/zinc/42/45/14/1109424514.db2.gz NGPQAWUXIUZCOX-IRXDYDNUSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2sc(C)cc2C)C1 ZINC001282010576 1109429950 /nfs/dbraw/zinc/42/99/50/1109429950.db2.gz GFUYPUXNMJFDIV-UHFFFAOYSA-N 0 3 312.866 3.215 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001282096296 1109449517 /nfs/dbraw/zinc/44/95/17/1109449517.db2.gz KAUJUPQOCQOLEC-HUUCEWRRSA-N 0 3 318.848 3.141 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001282184998 1109464903 /nfs/dbraw/zinc/46/49/03/1109464903.db2.gz LFLKGFYCGOWBOC-CHWSQXEVSA-N 0 3 321.490 3.429 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC001282364913 1109493924 /nfs/dbraw/zinc/49/39/24/1109493924.db2.gz SFPDZYQVRBOLMD-OAHLLOKOSA-N 0 3 300.446 3.467 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(-c2cccs2)o1 ZINC001282485964 1109523837 /nfs/dbraw/zinc/52/38/37/1109523837.db2.gz PGSYZDODITUHBG-GFCCVEGCSA-N 0 3 304.415 3.244 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)Cc1c(F)cccc1F ZINC001282675091 1109549090 /nfs/dbraw/zinc/54/90/90/1109549090.db2.gz JTICIEQLOWSPRG-AWEZNQCLSA-N 0 3 322.399 3.054 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001282714601 1109556154 /nfs/dbraw/zinc/55/61/54/1109556154.db2.gz JVNDMCLWYVTWHQ-MRXNPFEDSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001282733565 1109557586 /nfs/dbraw/zinc/55/75/86/1109557586.db2.gz FYEWXPHWCOMPMJ-AWEZNQCLSA-N 0 3 320.502 3.329 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCc2ccccc2)C1 ZINC001282735629 1109558086 /nfs/dbraw/zinc/55/80/86/1109558086.db2.gz QHTMERGGWYOVBY-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001282744055 1109561605 /nfs/dbraw/zinc/56/16/05/1109561605.db2.gz LOBKCYUVMKZCBN-CVEARBPZSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001282745382 1109562372 /nfs/dbraw/zinc/56/23/72/1109562372.db2.gz XVZZCCPYEZKIMV-DNVCBOLYSA-N 0 3 300.446 3.225 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001282745384 1109562403 /nfs/dbraw/zinc/56/24/03/1109562403.db2.gz XVZZCCPYEZKIMV-KXBFYZLASA-N 0 3 300.446 3.225 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)C(C)(C)C1 ZINC001282833579 1109572684 /nfs/dbraw/zinc/57/26/84/1109572684.db2.gz ORALPYQUDFRORE-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2nc(C)c(C)s2)C(C)(C)C1 ZINC001282834537 1109572789 /nfs/dbraw/zinc/57/27/89/1109572789.db2.gz RYVJOJQRNATNNX-CQSZACIVSA-N 0 3 321.490 3.166 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001282832357 1109572919 /nfs/dbraw/zinc/57/29/19/1109572919.db2.gz FNOBTMVDPXBBHL-IEBWSBKVSA-N 0 3 324.468 3.196 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2Cl)C1 ZINC001283022820 1109587820 /nfs/dbraw/zinc/58/78/20/1109587820.db2.gz HOBUBKNQJJARDK-JOCQHMNTSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2c(o1)CCCC2 ZINC001283184392 1109602204 /nfs/dbraw/zinc/60/22/04/1109602204.db2.gz AIRDPKRHDLBJSA-CYBMUJFWSA-N 0 3 324.852 3.399 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)Cc2cnc(C)o2)CC1 ZINC001283310323 1109612126 /nfs/dbraw/zinc/61/21/26/1109612126.db2.gz JLEWTWMNRCGBRJ-UHFFFAOYSA-N 0 3 319.449 3.008 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1coc2ccc(CC)cc12 ZINC001283612086 1109660418 /nfs/dbraw/zinc/66/04/18/1109660418.db2.gz NHJFZQOVMIIMJD-CQSZACIVSA-N 0 3 312.413 3.069 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](NCc2cc(C)ns2)C1 ZINC001316629290 1109681422 /nfs/dbraw/zinc/68/14/22/1109681422.db2.gz KUZVUQIZNQOTEL-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001283845545 1109688648 /nfs/dbraw/zinc/68/86/48/1109688648.db2.gz IAWDJTCVVMASEB-XJKSGUPXSA-N 0 3 319.474 3.135 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(Cc3ccccc3)CC2)[C@@H]1C ZINC001284128065 1109742173 /nfs/dbraw/zinc/74/21/73/1109742173.db2.gz IWQUOIDNHFRIIV-HKUYNNGSSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001284127614 1109742318 /nfs/dbraw/zinc/74/23/18/1109742318.db2.gz CHRFYIUMVWEBRY-NVXWUHKLSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc2ccccn2c1)C(C)C ZINC001284543435 1109808067 /nfs/dbraw/zinc/80/80/67/1109808067.db2.gz DJFNDOJAQURTJC-UHFFFAOYSA-N 0 3 313.445 3.298 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001316634940 1109857213 /nfs/dbraw/zinc/85/72/13/1109857213.db2.gz NZPYPBWRQUHZBZ-MISYRCLQSA-N 0 3 324.468 3.125 20 30 DGEDHN CC1(CCC(=O)NC[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001316639973 1109981712 /nfs/dbraw/zinc/98/17/12/1109981712.db2.gz RKDPQZGGAIEYIH-WGSAOQKQSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1(C2CC2)CC1 ZINC001317424174 1111208652 /nfs/dbraw/zinc/20/86/52/1111208652.db2.gz OPKNRNVSLRSOII-OAHLLOKOSA-N 0 3 310.869 3.290 20 30 DGEDHN CN(C)[C@H](CNc1nc2ncccc2cc1C#N)c1cccs1 ZINC001306911185 1111249384 /nfs/dbraw/zinc/24/93/84/1111249384.db2.gz PPXNPPWCDWTRRD-CQSZACIVSA-N 0 3 323.425 3.278 20 30 DGEDHN C[C@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC001306932818 1111252097 /nfs/dbraw/zinc/25/20/97/1111252097.db2.gz ZOHAEUDFJJJJNS-GHMZBOCLSA-N 0 3 308.407 3.203 20 30 DGEDHN N#Cc1ccccc1N1CCCN(CCc2cccc(F)c2)CC1 ZINC001307455123 1111301249 /nfs/dbraw/zinc/30/12/49/1111301249.db2.gz MUUQUPHBHIFHTB-UHFFFAOYSA-N 0 3 323.415 3.452 20 30 DGEDHN CC[C@@H](c1ccccc1)N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC001307501166 1111307702 /nfs/dbraw/zinc/30/77/02/1111307702.db2.gz UUBNCUXOYABBNS-HKUYNNGSSA-N 0 3 310.445 3.199 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001307873156 1111348821 /nfs/dbraw/zinc/34/88/21/1111348821.db2.gz SNABTTNBJNBBGJ-RHSMWYFYSA-N 0 3 316.832 3.181 20 30 DGEDHN CCCCCCCCN1CCN(c2ccc(OCC)nn2)CC1 ZINC001307951646 1111359199 /nfs/dbraw/zinc/35/91/99/1111359199.db2.gz VKFZMUJUYFAOCZ-UHFFFAOYSA-N 0 3 320.481 3.358 20 30 DGEDHN C#CCCN(CCOC)CCOc1ccccc1C(F)(F)F ZINC001307955967 1111359703 /nfs/dbraw/zinc/35/97/03/1111359703.db2.gz HSDZMBHSWSKVLG-UHFFFAOYSA-N 0 3 315.335 3.056 20 30 DGEDHN N#Cc1ccc(N2CCN(CCC3CCCCCC3)CC2)cn1 ZINC001308058001 1111372722 /nfs/dbraw/zinc/37/27/22/1111372722.db2.gz UERGGCFZWJAVQA-UHFFFAOYSA-N 0 3 312.461 3.436 20 30 DGEDHN C=CCCCN(CC)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC001308134810 1111382244 /nfs/dbraw/zinc/38/22/44/1111382244.db2.gz TVCYGLYPSPUMEX-MRXNPFEDSA-N 0 3 302.418 3.089 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cc(C#N)ccc1N(C)C ZINC001308644186 1111454880 /nfs/dbraw/zinc/45/48/80/1111454880.db2.gz YTRKTKZOBMOVNL-UHFFFAOYSA-N 0 3 309.413 3.448 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC001317494253 1111568306 /nfs/dbraw/zinc/56/83/06/1111568306.db2.gz CEHSPWQFMXVRKX-QGZVFWFLSA-N 0 3 311.429 3.215 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001311986490 1111630053 /nfs/dbraw/zinc/63/00/53/1111630053.db2.gz KYFIKABNPSKMAY-INIZCTEOSA-N 0 3 317.477 3.408 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001317530036 1111649347 /nfs/dbraw/zinc/64/93/47/1111649347.db2.gz SCEGSWXEWDHPPH-OAHLLOKOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001312557432 1111659745 /nfs/dbraw/zinc/65/97/45/1111659745.db2.gz KSTZLGDQMMEOCB-QGZVFWFLSA-N 0 3 317.477 3.407 20 30 DGEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC001312788687 1111673662 /nfs/dbraw/zinc/67/36/62/1111673662.db2.gz LHFRNMDBYWSKPI-GOSISDBHSA-N 0 3 319.493 3.086 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cnoc2C)CC(C)(C)C1 ZINC001316808525 1111774953 /nfs/dbraw/zinc/77/49/53/1111774953.db2.gz WIEDVKXRXXJKOH-INIZCTEOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2conc2C)CC(C)(C)C1 ZINC001316808143 1111775330 /nfs/dbraw/zinc/77/53/30/1111775330.db2.gz QGBWZQKOMWPICJ-MRXNPFEDSA-N 0 3 319.449 3.056 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(CC(C)C)s1 ZINC001316828437 1111779864 /nfs/dbraw/zinc/77/98/64/1111779864.db2.gz OMADJNSYGZQDKE-UHFFFAOYSA-N 0 3 306.475 3.022 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1O ZINC001316871969 1111786789 /nfs/dbraw/zinc/78/67/89/1111786789.db2.gz IADLKPFPESMPON-DZGCQCFKSA-N 0 3 322.836 3.118 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCC2(C#N)CCCC2)C1(C)C ZINC001621420448 1193840907 /nfs/dbraw/zinc/84/09/07/1193840907.db2.gz PTIHUWGVHSIGAH-UONOGXRCSA-N 0 3 321.465 3.352 20 30 DGEDHN C[C@H]1CN(CCCNc2cc(Cl)ccc2C#N)CCCO1 ZINC000278316323 214086674 /nfs/dbraw/zinc/08/66/74/214086674.db2.gz YOTMWIAVBCPAHL-ZDUSSCGKSA-N 0 3 307.825 3.124 20 30 DGEDHN CC[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000278356331 214112305 /nfs/dbraw/zinc/11/23/05/214112305.db2.gz BCDBMVQWBMZRRT-IAGOWNOFSA-N 0 3 300.402 3.285 20 30 DGEDHN N#Cc1cccc(CNCCc2nc(-c3ccccn3)cs2)c1 ZINC000076894765 185050630 /nfs/dbraw/zinc/05/06/30/185050630.db2.gz UTXWFJDUXPUINF-UHFFFAOYSA-N 0 3 320.421 3.409 20 30 DGEDHN CCC(CC)CN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000488513064 282161883 /nfs/dbraw/zinc/16/18/83/282161883.db2.gz IOBPBZJUPCTJBQ-OAHLLOKOSA-N 0 3 307.482 3.476 20 30 DGEDHN Cc1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC000309857163 231106959 /nfs/dbraw/zinc/10/69/59/231106959.db2.gz CGEXESWMYFCEQJ-YJBOKZPZSA-N 0 3 306.413 3.337 20 30 DGEDHN Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1C#N ZINC000309917234 231107587 /nfs/dbraw/zinc/10/75/87/231107587.db2.gz UTQFHWLTYCFTQJ-YJBOKZPZSA-N 0 3 306.413 3.337 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 ZINC000341753216 529648721 /nfs/dbraw/zinc/64/87/21/529648721.db2.gz FITYKMFMWJATQJ-VDZJLULYSA-N 0 3 315.461 3.479 20 30 DGEDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000092401153 185316261 /nfs/dbraw/zinc/31/62/61/185316261.db2.gz WXQCKOLDPYKTLZ-HIFRSBDPSA-N 0 3 319.474 3.137 20 30 DGEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCC(C)(C)CC1 ZINC000127583117 529831442 /nfs/dbraw/zinc/83/14/42/529831442.db2.gz ORUFVYFWUOXORI-UHFFFAOYSA-N 0 3 305.466 3.230 20 30 DGEDHN CN(CCCc1cc(-c2ccccc2)no1)CCOCCC#N ZINC000338958124 529896607 /nfs/dbraw/zinc/89/66/07/529896607.db2.gz SBWNTMGQSOXFAM-UHFFFAOYSA-N 0 3 313.401 3.136 20 30 DGEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000184076807 529902024 /nfs/dbraw/zinc/90/20/24/529902024.db2.gz IDMZHOUMPIASTB-UHFFFAOYSA-N 0 3 314.433 3.046 20 30 DGEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397596 432015719 /nfs/dbraw/zinc/01/57/19/432015719.db2.gz GDXQQEPLEUXERH-INIZCTEOSA-N 0 3 301.434 3.007 20 30 DGEDHN C=CCc1cc(CN(C)C[C@@H]2CCCC[C@@H]2O)cc(OC)c1O ZINC000272660960 210064526 /nfs/dbraw/zinc/06/45/26/210064526.db2.gz RLOQBRBLUKSDFB-IRXDYDNUSA-N 0 3 319.445 3.112 20 30 DGEDHN N#CCCCOc1cccc(CNC[C@@H](O)Cc2ccccc2)c1 ZINC000105493033 432018839 /nfs/dbraw/zinc/01/88/39/432018839.db2.gz IDBUWBGIPVJLHX-IBGZPJMESA-N 0 3 324.424 3.062 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000286944628 219237206 /nfs/dbraw/zinc/23/72/06/219237206.db2.gz IXWWATXBTMUVML-UHFFFAOYSA-N 0 3 318.396 3.037 20 30 DGEDHN COc1ccccc1[C@@H](CNc1ccnc(C#N)c1)N1CCCC1 ZINC000287119573 219326861 /nfs/dbraw/zinc/32/68/61/219326861.db2.gz WHTJBOBKJKJVHX-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000268741810 186374165 /nfs/dbraw/zinc/37/41/65/186374165.db2.gz ZRJXODXIVAIXLV-MOPGFXCFSA-N 0 3 324.449 3.382 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(C)c2Cl)CC1 ZINC000277250449 213395367 /nfs/dbraw/zinc/39/53/67/213395367.db2.gz NYPFKBLJUBSUBI-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN COCc1cccc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000067120630 432027184 /nfs/dbraw/zinc/02/71/84/432027184.db2.gz JLBMPDDIGBTRDF-UHFFFAOYSA-N 0 3 323.440 3.473 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000172542841 198112437 /nfs/dbraw/zinc/11/24/37/198112437.db2.gz WSJVCDBFROIIOX-LJQANCHMSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](SC)c2ccccc2)CC1 ZINC000172542876 198112462 /nfs/dbraw/zinc/11/24/62/198112462.db2.gz DSQWBOLGUCTQEZ-KRWDZBQOSA-N 0 3 318.486 3.247 20 30 DGEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1-n1cncn1 ZINC000130745978 432029432 /nfs/dbraw/zinc/02/94/32/432029432.db2.gz IIRNHWOHKAEEBL-UHFFFAOYSA-N 0 3 317.396 3.079 20 30 DGEDHN CC(=O)Nc1cccc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000174057784 198286191 /nfs/dbraw/zinc/28/61/91/198286191.db2.gz FMVIVORRIQWVHI-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000174669519 198367402 /nfs/dbraw/zinc/36/74/02/198367402.db2.gz MXRADVNZEKGPJD-UHFFFAOYSA-N 0 3 324.346 3.298 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@H]2CSCCS2)C1 ZINC000119200776 283049628 /nfs/dbraw/zinc/04/96/28/283049628.db2.gz CSHPEJLOIYBRGT-PCKAHOCUSA-N 0 3 304.484 3.049 20 30 DGEDHN CO[C@H]1CCCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000276974543 213213323 /nfs/dbraw/zinc/21/33/23/213213323.db2.gz XJXBLHDVEHXNDS-CABCVRRESA-N 0 3 323.234 3.368 20 30 DGEDHN CO[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000276974554 213213131 /nfs/dbraw/zinc/21/31/31/213213131.db2.gz XJXBLHDVEHXNDS-HUUCEWRRSA-N 0 3 323.234 3.368 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134868911 283152189 /nfs/dbraw/zinc/15/21/89/283152189.db2.gz OMOPXDNLSQNXLH-DNVCBOLYSA-N 0 3 313.420 3.146 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000133539423 432066769 /nfs/dbraw/zinc/06/67/69/432066769.db2.gz ULNKLMZKTPFCJZ-OALUTQOASA-N 0 3 319.408 3.423 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC000133641355 432068743 /nfs/dbraw/zinc/06/87/43/432068743.db2.gz RLXVTMLKWPRVOK-AWEZNQCLSA-N 0 3 321.446 3.013 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2ccccc2Cl)CC1 ZINC000179248195 199005298 /nfs/dbraw/zinc/00/52/98/199005298.db2.gz FKHDPCSQFNZVQF-CQSZACIVSA-N 0 3 320.864 3.285 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000179780446 199080061 /nfs/dbraw/zinc/08/00/61/199080061.db2.gz YUPVTYUZRXOLHR-ZDUSSCGKSA-N 0 3 323.425 3.042 20 30 DGEDHN N#Cc1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)c[nH]1 ZINC000180378051 199152388 /nfs/dbraw/zinc/15/23/88/199152388.db2.gz JIATYJCVGGNMSI-UHFFFAOYSA-N 0 3 308.385 3.125 20 30 DGEDHN N#Cc1cccc(OCCCN(Cc2ccccn2)C2CC2)c1 ZINC000180871526 199220711 /nfs/dbraw/zinc/22/07/11/199220711.db2.gz TXOWNKXATYNSFX-UHFFFAOYSA-N 0 3 307.397 3.387 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N(C)c2cccnn2)CC1 ZINC000187696882 200145996 /nfs/dbraw/zinc/14/59/96/200145996.db2.gz XYTDNXJWEAYPMY-HNNXBMFYSA-N 0 3 321.428 3.010 20 30 DGEDHN Fc1ccc(C#CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134871093 432088542 /nfs/dbraw/zinc/08/85/42/432088542.db2.gz VBDXVRCSYVBSCH-YLJYHZDGSA-N 0 3 312.432 3.126 20 30 DGEDHN N#CCC1(CNCc2ccccc2OCc2cccnc2)CC1 ZINC000430042000 238064968 /nfs/dbraw/zinc/06/49/68/238064968.db2.gz BQAWYEDTNGEOLI-UHFFFAOYSA-N 0 3 307.397 3.444 20 30 DGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000430741220 238085269 /nfs/dbraw/zinc/08/52/69/238085269.db2.gz DEUJQPCRGLEGHN-ZDUSSCGKSA-N 0 3 312.417 3.315 20 30 DGEDHN CN(C)[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000431510962 238104552 /nfs/dbraw/zinc/10/45/52/238104552.db2.gz VJQPXJSYKWQZFD-GOSISDBHSA-N 0 3 307.397 3.384 20 30 DGEDHN CN(C)[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000431803649 238111412 /nfs/dbraw/zinc/11/14/12/238111412.db2.gz ZEAISWMQVMMIDP-KRWDZBQOSA-N 0 3 311.360 3.329 20 30 DGEDHN C[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271936631 209337648 /nfs/dbraw/zinc/33/76/48/209337648.db2.gz KGVHRKDXULWWBP-ZJUUUORDSA-N 0 3 304.287 3.315 20 30 DGEDHN CCN(CCC#N)C(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000268487516 432094334 /nfs/dbraw/zinc/09/43/34/432094334.db2.gz NCMYPTLMKBUBLK-UHFFFAOYSA-N 0 3 301.434 3.049 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc4cc[nH]c43)C2)nc1 ZINC000292688005 223201990 /nfs/dbraw/zinc/20/19/90/223201990.db2.gz BCZGEDIQIWAFOZ-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCC[C@H](NC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000271872657 209284815 /nfs/dbraw/zinc/28/48/15/209284815.db2.gz KCVGCFZTAUCAJP-SFHVURJKSA-N 0 3 313.445 3.255 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000442791911 239125670 /nfs/dbraw/zinc/12/56/70/239125670.db2.gz ORGRJVKTIUVFIC-SJLPKXTDSA-N 0 3 311.429 3.095 20 30 DGEDHN Cc1cc(CNCc2cccc(-n3ccnc3)c2)ccc1C#N ZINC000443986779 239245968 /nfs/dbraw/zinc/24/59/68/239245968.db2.gz WMWDBCAKRWSGIR-UHFFFAOYSA-N 0 3 302.381 3.342 20 30 DGEDHN Cc1cc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC000443998646 239248935 /nfs/dbraw/zinc/24/89/35/239248935.db2.gz WCYADOHENLDOJL-WOJBJXKFSA-N 0 3 324.399 3.262 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN(CCO)Cc1ccccc1 ZINC000135125810 432099869 /nfs/dbraw/zinc/09/98/69/432099869.db2.gz AFOYKLLPPJCWCD-UHFFFAOYSA-N 0 3 308.425 3.482 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000271834930 209255373 /nfs/dbraw/zinc/25/53/73/209255373.db2.gz FUGPJAWPBOTWQH-DJIMGWMZSA-N 0 3 300.377 3.135 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000268533448 432101484 /nfs/dbraw/zinc/10/14/84/432101484.db2.gz JCIDTKIYWFQXCG-CQSZACIVSA-N 0 3 311.372 3.135 20 30 DGEDHN COC[C@]1(C)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449393963 240175190 /nfs/dbraw/zinc/17/51/90/240175190.db2.gz NGPBQDFFTBNZTI-GOSISDBHSA-N 0 3 302.418 3.228 20 30 DGEDHN N#Cc1ccc(CNCCc2cc(C(F)(F)F)ccn2)s1 ZINC000293009346 223350248 /nfs/dbraw/zinc/35/02/48/223350248.db2.gz PPEAHCMGFOPTDY-UHFFFAOYSA-N 0 3 311.332 3.366 20 30 DGEDHN CC(C)n1cc(C2=CCCN(Cc3cccc(C#N)c3)CC2)nn1 ZINC000449475651 240230789 /nfs/dbraw/zinc/23/07/89/240230789.db2.gz XNNHKDRHCUNQLO-UHFFFAOYSA-N 0 3 321.428 3.410 20 30 DGEDHN CC[C@@H](C)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000449622111 240324696 /nfs/dbraw/zinc/32/46/96/240324696.db2.gz CFSZUNWNQNJCHC-QGZVFWFLSA-N 0 3 315.461 3.285 20 30 DGEDHN CO[C@H]([C@H](C)NCc1cccc(OCCCC#N)c1)C1CC1 ZINC000449635077 240335155 /nfs/dbraw/zinc/33/51/55/240335155.db2.gz XFGHVIVJTWQQFK-KBXCAEBGSA-N 0 3 302.418 3.272 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449647062 240343779 /nfs/dbraw/zinc/34/37/79/240343779.db2.gz OZXBADODLKOYBH-LJIGWXMPSA-N 0 3 311.429 3.025 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000449697294 240374659 /nfs/dbraw/zinc/37/46/59/240374659.db2.gz KKWMLKUXIWEUNL-CYBMUJFWSA-N 0 3 313.825 3.164 20 30 DGEDHN C=CCC[C@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000449697876 240375222 /nfs/dbraw/zinc/37/52/22/240375222.db2.gz LZNCBDZSSWWONE-MRXNPFEDSA-N 0 3 305.418 3.059 20 30 DGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000451598930 241185305 /nfs/dbraw/zinc/18/53/05/241185305.db2.gz MIGUAJMVGXLUSR-ZBFHGGJFSA-N 0 3 320.820 3.423 20 30 DGEDHN N#Cc1ccc(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451616579 241191454 /nfs/dbraw/zinc/19/14/54/241191454.db2.gz RZVMPFSITGNAII-DOTOQJQBSA-N 0 3 304.821 3.098 20 30 DGEDHN COc1ccc([C@@H](C)N(C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000268599341 432109662 /nfs/dbraw/zinc/10/96/62/432109662.db2.gz ICIQFADPZKXFOF-KUHUBIRLSA-N 0 3 310.397 3.293 20 30 DGEDHN C=C(C)Cn1c(N2CCN([C@@H](C)CC)CC2)nnc1C(C)(C)C ZINC000453455828 241794155 /nfs/dbraw/zinc/79/41/55/241794155.db2.gz SZHICVJIMUGFMS-HNNXBMFYSA-N 0 3 319.497 3.072 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1cccc(CC#N)c1 ZINC000455910160 242310029 /nfs/dbraw/zinc/31/00/29/242310029.db2.gz TZHGNOFDXNNZOR-UHFFFAOYSA-N 0 3 314.433 3.092 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000455960615 242319456 /nfs/dbraw/zinc/31/94/56/242319456.db2.gz XFAWJNBIJOJKNR-CQSZACIVSA-N 0 3 314.433 3.061 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000456010707 242328378 /nfs/dbraw/zinc/32/83/78/242328378.db2.gz UOZMRDVZKQLGQI-UHFFFAOYSA-N 0 3 322.412 3.250 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](CC)C1 ZINC000246273545 432114640 /nfs/dbraw/zinc/11/46/40/432114640.db2.gz SDCSAQUFRMPZHS-HUUCEWRRSA-N 0 3 306.475 3.383 20 30 DGEDHN C=C(CC)CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000459071038 243243003 /nfs/dbraw/zinc/24/30/03/243243003.db2.gz GNTPSBOALCBLGP-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(Br)s1 ZINC000268677828 432117600 /nfs/dbraw/zinc/11/76/00/432117600.db2.gz WGRTUXSLXIASAY-SNVBAGLBSA-N 0 3 304.253 3.270 20 30 DGEDHN C=C(C)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000458996847 243222378 /nfs/dbraw/zinc/22/23/78/243222378.db2.gz IIJUZKQRIAPNJP-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000459003168 243224838 /nfs/dbraw/zinc/22/48/38/243224838.db2.gz OOLVAUMNPCGUDP-UHFFFAOYSA-N 0 3 315.461 3.259 20 30 DGEDHN N#Cc1ccc([C@H](O)CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000268690685 432119083 /nfs/dbraw/zinc/11/90/83/432119083.db2.gz OUCPAGNQWKQLKB-HXUWFJFHSA-N 0 3 322.408 3.209 20 30 DGEDHN C=CCC[C@@H](CCC)NCc1ccc(S(C)(=O)=O)s1 ZINC000469269840 244092369 /nfs/dbraw/zinc/09/23/69/244092369.db2.gz VAIJPXZPJZEMGD-GFCCVEGCSA-N 0 3 301.477 3.376 20 30 DGEDHN C[C@H](O)CCN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093481817 193258205 /nfs/dbraw/zinc/25/82/05/193258205.db2.gz CLYXNMVKGYFOQQ-INIZCTEOSA-N 0 3 324.424 3.340 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000268704573 432122468 /nfs/dbraw/zinc/12/24/68/432122468.db2.gz RYHCGYVNYVGSKL-IEBWSBKVSA-N 0 3 310.372 3.220 20 30 DGEDHN CC(C)[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCN1C ZINC000488527427 245206213 /nfs/dbraw/zinc/20/62/13/245206213.db2.gz RDOLXUUJGMSDAP-LJQANCHMSA-N 0 3 315.461 3.141 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000489836889 245351638 /nfs/dbraw/zinc/35/16/38/245351638.db2.gz BOJIDXNNBNLJSR-HOTGVXAUSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489862866 245355091 /nfs/dbraw/zinc/35/50/91/245355091.db2.gz REBGEXUVWCLAKR-LUKYLMHMSA-N 0 3 307.482 3.103 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H](O)c2ccccc2F)cc1 ZINC000265001148 204334924 /nfs/dbraw/zinc/33/49/24/204334924.db2.gz ZRHIVWXJLJXTOD-LJQANCHMSA-N 0 3 313.372 3.051 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000271730119 209163967 /nfs/dbraw/zinc/16/39/67/209163967.db2.gz TZBYCFORXPOZHG-HOCLYGCPSA-N 0 3 307.434 3.462 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cccc(SC)c2C)CC1 ZINC000271722304 209156919 /nfs/dbraw/zinc/15/69/19/209156919.db2.gz QMMAIRVUIIEKAX-UHFFFAOYSA-N 0 3 319.474 3.489 20 30 DGEDHN C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000288381523 220122500 /nfs/dbraw/zinc/12/25/00/220122500.db2.gz GBPVQLUWLNWAHB-RDTXWAMCSA-N 0 3 311.454 3.372 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H](O)COCc1ccccc1 ZINC000128196811 284366979 /nfs/dbraw/zinc/36/69/79/284366979.db2.gz VMYUQMNSGYSYDI-UZLBHIALSA-N 0 3 324.424 3.129 20 30 DGEDHN CC[C@@]1(CO)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000190226441 432133106 /nfs/dbraw/zinc/13/31/06/432133106.db2.gz MQBPBVLUYTUXPA-LJQANCHMSA-N 0 3 316.445 3.354 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)nc1 ZINC000267348990 206001795 /nfs/dbraw/zinc/00/17/95/206001795.db2.gz FZADXYFLCGCGMY-BEFAXECRSA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000267527198 206124350 /nfs/dbraw/zinc/12/43/50/206124350.db2.gz TUSYEPHXPVRZMU-WBVHZDCISA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@H]1C[C@@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000267527197 206125026 /nfs/dbraw/zinc/12/50/26/206125026.db2.gz TUSYEPHXPVRZMU-RDJZCZTQSA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000495183892 246245170 /nfs/dbraw/zinc/24/51/70/246245170.db2.gz ZJDGNWJOVOPVNH-ZSZQSSIHSA-N 0 3 320.392 3.397 20 30 DGEDHN C=CC[C@H](C)N[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495617642 246286997 /nfs/dbraw/zinc/28/69/97/246286997.db2.gz JFTOBYUNTROBAH-STQMWFEESA-N 0 3 305.422 3.466 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(C)c1)C(C)C ZINC000496013839 246342408 /nfs/dbraw/zinc/34/24/08/246342408.db2.gz KKMMUVPLUIKKCH-SFHVURJKSA-N 0 3 300.446 3.423 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1C)C(C)C ZINC000496012727 246341253 /nfs/dbraw/zinc/34/12/53/246341253.db2.gz DZUBDJVVDSMNJZ-SFHVURJKSA-N 0 3 300.446 3.423 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(F)cc(F)c1)C(C)C ZINC000496015570 246341646 /nfs/dbraw/zinc/34/16/46/246341646.db2.gz VLHYWUMRWRXCNO-KRWDZBQOSA-N 0 3 322.399 3.393 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(F)cc1F)C(C)C ZINC000495967651 246333574 /nfs/dbraw/zinc/33/35/74/246333574.db2.gz WEICTZVURVBCEX-QGZVFWFLSA-N 0 3 322.399 3.393 20 30 DGEDHN C[C@H]1C[C@H](CNCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC000496384012 246389614 /nfs/dbraw/zinc/38/96/14/246389614.db2.gz GNEJKDALVAGOBF-LSDHHAIUSA-N 0 3 321.465 3.305 20 30 DGEDHN C[C@@H]1C[C@@H](CNCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC000496384007 246389834 /nfs/dbraw/zinc/38/98/34/246389834.db2.gz GNEJKDALVAGOBF-CABCVRRESA-N 0 3 321.465 3.305 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCN1CCc2ccccc2C1 ZINC000190325299 432143868 /nfs/dbraw/zinc/14/38/68/432143868.db2.gz DSXSZAWHHJSGKC-LJQANCHMSA-N 0 3 300.446 3.153 20 30 DGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000040540294 183096740 /nfs/dbraw/zinc/09/67/40/183096740.db2.gz WAVRDQCNKNFKBP-ZDUSSCGKSA-N 0 3 305.381 3.294 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000268897513 207066527 /nfs/dbraw/zinc/06/65/27/207066527.db2.gz AYUUGLQDVQYLND-KPOBHBOGSA-N 0 3 307.393 3.008 20 30 DGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cn2ccccc2c1C#N ZINC000336875380 253017118 /nfs/dbraw/zinc/01/71/18/253017118.db2.gz FYRTVRPQZHQLSD-DOTOQJQBSA-N 0 3 311.429 3.326 20 30 DGEDHN N#Cc1ccc(NC(=O)NCCN2CCCCCC2)cc1Cl ZINC000337374206 253099689 /nfs/dbraw/zinc/09/96/89/253099689.db2.gz QJRVMPNIMDUECH-UHFFFAOYSA-N 0 3 320.824 3.209 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000337965162 253201476 /nfs/dbraw/zinc/20/14/76/253201476.db2.gz UTNKWVGBBSVSEF-UHFFFAOYSA-N 0 3 323.396 3.059 20 30 DGEDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC[C@@H]1C ZINC000338296954 253260884 /nfs/dbraw/zinc/26/08/84/253260884.db2.gz UBAKKWQGPYDLBB-QWHCGFSZSA-N 0 3 302.378 3.141 20 30 DGEDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000338337865 253267986 /nfs/dbraw/zinc/26/79/86/253267986.db2.gz DVQWFPJNEUSVNJ-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158988664 197317276 /nfs/dbraw/zinc/31/72/76/197317276.db2.gz UQLZOKGDRFETPC-UHFFFAOYSA-N 0 3 314.389 3.393 20 30 DGEDHN CN1CCC[C@@H]1CNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000288634024 220308853 /nfs/dbraw/zinc/30/88/53/220308853.db2.gz YRBSJYPZKWUMJZ-SNVBAGLBSA-N 0 3 320.318 3.030 20 30 DGEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000347107222 533111973 /nfs/dbraw/zinc/11/19/73/533111973.db2.gz MTAVDGLFOKVJOE-ZANVPECISA-N 0 3 313.184 3.053 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1cccc(C#N)c1C ZINC000342788786 254050577 /nfs/dbraw/zinc/05/05/77/254050577.db2.gz PRXFJGGQNNCIKZ-UHFFFAOYSA-N 0 3 313.445 3.205 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNc1nnc(C)c(C)c1C#N)c1ccco1 ZINC000343268383 254121976 /nfs/dbraw/zinc/12/19/76/254121976.db2.gz WEGIRQMSBNSUDT-ABAIWWIYSA-N 0 3 313.405 3.099 20 30 DGEDHN Cc1c(Cl)cnc(N[C@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000343538379 254157906 /nfs/dbraw/zinc/15/79/06/254157906.db2.gz VIRJHLQHKYUEDA-VXGBXAGGSA-N 0 3 306.841 3.447 20 30 DGEDHN Cc1cc(CN[C@H]2CCO[C@H]2c2ccnn2C(C)C)ccc1C#N ZINC000343384862 254135230 /nfs/dbraw/zinc/13/52/30/254135230.db2.gz KAMSFQJKDIYQHO-PKOBYXMFSA-N 0 3 324.428 3.264 20 30 DGEDHN COc1ccccc1N1CCN(CC(C)(C)CCC#N)CC1 ZINC000157409630 197185513 /nfs/dbraw/zinc/18/55/13/197185513.db2.gz CYDOVICPQIIQCH-UHFFFAOYSA-N 0 3 301.434 3.147 20 30 DGEDHN CC(C)N(CCC(=O)Nc1sccc1C#N)Cc1ccco1 ZINC000343622938 254169005 /nfs/dbraw/zinc/16/90/05/254169005.db2.gz MQRUABJUWKSWFX-UHFFFAOYSA-N 0 3 317.414 3.452 20 30 DGEDHN Cc1ccoc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344253726 254246014 /nfs/dbraw/zinc/24/60/14/254246014.db2.gz IARGYMZUGGXEKT-HNNXBMFYSA-N 0 3 313.376 3.357 20 30 DGEDHN C[C@]1(NCc2ccc(C#N)cc2OC(F)F)CCO[C@@H]1C1CC1 ZINC000344379051 254264080 /nfs/dbraw/zinc/26/40/80/254264080.db2.gz DFWMABANQDYHOM-WBVHZDCISA-N 0 3 322.355 3.207 20 30 DGEDHN CC(C(=O)Nc1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000344591423 254285615 /nfs/dbraw/zinc/28/56/15/254285615.db2.gz YHOWOWFJHBUTJS-LURJTMIESA-N 0 3 321.096 3.458 20 30 DGEDHN N#Cc1ccc(CNCCc2nnc(-c3ccccc3)o2)c(F)c1 ZINC000344823337 254308642 /nfs/dbraw/zinc/30/86/42/254308642.db2.gz GXDNYZZDDUSMGM-UHFFFAOYSA-N 0 3 322.343 3.080 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC(OC3CCCC3)CC2)cc1 ZINC000155931343 197075563 /nfs/dbraw/zinc/07/55/63/197075563.db2.gz OHPAKHWMLNUKMG-IBGZPJMESA-N 0 3 314.429 3.015 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC(C)(C)C ZINC000339257780 533186857 /nfs/dbraw/zinc/18/68/57/533186857.db2.gz GBIZUPPLYWLVNC-AWEZNQCLSA-N 0 3 319.424 3.439 20 30 DGEDHN COc1ccc([C@H](O)C2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000298074306 533199639 /nfs/dbraw/zinc/19/96/39/533199639.db2.gz HFMVFFBVKRFJEC-KDOFPFPSSA-N 0 3 302.418 3.133 20 30 DGEDHN CCOc1cccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000271613485 209060308 /nfs/dbraw/zinc/06/03/08/209060308.db2.gz AGEDXDHZKLLWEF-IFXJQAMLSA-N 0 3 310.397 3.341 20 30 DGEDHN COCC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000356750465 533284854 /nfs/dbraw/zinc/28/48/54/533284854.db2.gz ZISUTDINTAXXIW-NOZJJQNGSA-N 0 3 315.200 3.347 20 30 DGEDHN COc1ccc2c(c1OC)CCN(CCCC(C)(C)C#N)C2 ZINC000336854732 533321602 /nfs/dbraw/zinc/32/16/02/533321602.db2.gz FXIGNNVQKAURKE-UHFFFAOYSA-N 0 3 302.418 3.392 20 30 DGEDHN C[C@@H](NC[C@](C)(O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000181788569 533438529 /nfs/dbraw/zinc/43/85/29/533438529.db2.gz JRRAXRXZWRNFGF-DYVFJYSZSA-N 0 3 316.426 3.209 20 30 DGEDHN COc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433102840 533505429 /nfs/dbraw/zinc/50/54/29/533505429.db2.gz HRAMKUMEDHCJLA-KRWDZBQOSA-N 0 3 308.381 3.084 20 30 DGEDHN COc1ccc(CN(Cc2ccccc2)C(=O)C(C)C#N)cc1 ZINC000344135770 533549713 /nfs/dbraw/zinc/54/97/13/533549713.db2.gz YJFCEBQFNDSOBB-HNNXBMFYSA-N 0 3 308.381 3.384 20 30 DGEDHN Cc1ccc(C)c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428799575 533668540 /nfs/dbraw/zinc/66/85/40/533668540.db2.gz WRQBSJCTWBLQML-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000303726522 400111411 /nfs/dbraw/zinc/11/14/11/400111411.db2.gz TUCIJVLZYZGUHV-SFHVURJKSA-N 0 3 319.452 3.480 20 30 DGEDHN CC(C)(NC(=O)Nc1ccc2c(c1)CNC2)c1cccc(C#N)c1 ZINC000595236212 400113065 /nfs/dbraw/zinc/11/30/65/400113065.db2.gz KZMGKCIKZRLHMW-UHFFFAOYSA-N 0 3 320.396 3.218 20 30 DGEDHN CC1(C)CC(CNC(=O)[C@@H](N)CCCCC#N)CC(C)(C)C1 ZINC000595266865 400115506 /nfs/dbraw/zinc/11/55/06/400115506.db2.gz AYGQQPCVJYQGMQ-HNNXBMFYSA-N 0 3 307.482 3.366 20 30 DGEDHN COc1ccc(OCCN(C)CCc2ccc(C#N)cc2)cc1 ZINC000595286524 400117004 /nfs/dbraw/zinc/11/70/04/400117004.db2.gz KIYFJCIRXQZUJR-UHFFFAOYSA-N 0 3 310.397 3.120 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2OCC3(C)C)nc(C)n1 ZINC000581763931 400083371 /nfs/dbraw/zinc/08/33/71/400083371.db2.gz UUWODYTUPIVSES-CQSZACIVSA-N 0 3 321.380 3.254 20 30 DGEDHN N#Cc1cc(Br)ccc1CNC1(CCO)CCCC1 ZINC000595509889 400173986 /nfs/dbraw/zinc/17/39/86/400173986.db2.gz YCKVHDGJIUYPQX-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN N#C[C@@H](c1ccccc1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000595548229 400183677 /nfs/dbraw/zinc/18/36/77/400183677.db2.gz BDLZURUCKJFJAM-PCCBWWKXSA-N 0 3 317.436 3.458 20 30 DGEDHN CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000608886398 400130917 /nfs/dbraw/zinc/13/09/17/400130917.db2.gz JEGBSZUHHYNEQD-HNNXBMFYSA-N 0 3 315.461 3.446 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccccc2C)C1 ZINC000585753401 400137892 /nfs/dbraw/zinc/13/78/92/400137892.db2.gz WEHWJANVNXTFEZ-QGZVFWFLSA-N 0 3 300.446 3.209 20 30 DGEDHN C=C(C)CN(C)Cc1cccc(I)c1 ZINC000585767372 400139861 /nfs/dbraw/zinc/13/98/61/400139861.db2.gz XIJBTJYDRLWEIB-UHFFFAOYSA-N 0 3 301.171 3.299 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000067141794 400147975 /nfs/dbraw/zinc/14/79/75/400147975.db2.gz HUTVLZQAGOSWQQ-UHFFFAOYSA-N 0 3 324.346 3.298 20 30 DGEDHN CC1(C#N)CCN(CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000595431101 400148524 /nfs/dbraw/zinc/14/85/24/400148524.db2.gz YABXQLDBFFDKMW-HNNXBMFYSA-N 0 3 315.442 3.115 20 30 DGEDHN C[C@@H](NCCCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595433255 400148663 /nfs/dbraw/zinc/14/86/63/400148663.db2.gz KVPYPMWSQKROAG-CQSZACIVSA-N 0 3 303.454 3.375 20 30 DGEDHN N#Cc1ccc(OCCN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000609233745 400153041 /nfs/dbraw/zinc/15/30/41/400153041.db2.gz IEZJMJJHWLVYPE-HXUWFJFHSA-N 0 3 322.408 3.401 20 30 DGEDHN N#Cc1ccc(CCN2CCC(F)(c3ccccn3)CC2)cc1 ZINC000595478361 400163938 /nfs/dbraw/zinc/16/39/38/400163938.db2.gz UZFHRZDSXUYEJM-UHFFFAOYSA-N 0 3 309.388 3.457 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](CC(C)C)c2ccccc2C)C1=O ZINC000337180395 400188181 /nfs/dbraw/zinc/18/81/81/400188181.db2.gz LVVNQIRQPWGZFN-ROUUACIJSA-N 0 3 300.446 3.459 20 30 DGEDHN COc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1C#N ZINC000595503210 400171190 /nfs/dbraw/zinc/17/11/90/400171190.db2.gz YJEZPOINHDHQEZ-MRXNPFEDSA-N 0 3 307.397 3.341 20 30 DGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CCCCCC#N ZINC000588652617 400220404 /nfs/dbraw/zinc/22/04/04/400220404.db2.gz FAMJWXDWKFCENN-UHFFFAOYSA-N 0 3 319.424 3.190 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1cccs1 ZINC000068047345 400226713 /nfs/dbraw/zinc/22/67/13/400226713.db2.gz HNNABNNMNKUZGM-INIZCTEOSA-N 0 3 317.454 3.348 20 30 DGEDHN Cc1cc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)ccc1C#N ZINC000595748512 400248878 /nfs/dbraw/zinc/24/88/78/400248878.db2.gz WDNZCWCLEYBHOT-LEWJYISDSA-N 0 3 320.436 3.465 20 30 DGEDHN Cc1ccc(CN2CC[C@H](NCc3ccc(C#N)s3)C2)cc1 ZINC000601159114 400252667 /nfs/dbraw/zinc/25/26/67/400252667.db2.gz HDFAPUNALZETBM-INIZCTEOSA-N 0 3 311.454 3.292 20 30 DGEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595759520 400253128 /nfs/dbraw/zinc/25/31/28/400253128.db2.gz WIYZRGIPNQWACD-AZUAARDMSA-N 0 3 304.393 3.182 20 30 DGEDHN N#CCCCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000588157873 400193027 /nfs/dbraw/zinc/19/30/27/400193027.db2.gz JBGXJOFCCNDQCV-GOSISDBHSA-N 0 3 313.445 3.241 20 30 DGEDHN C[C@@H](CNC(=O)CCCCCC#N)N(C)Cc1ccccc1 ZINC000588157382 400193545 /nfs/dbraw/zinc/19/35/45/400193545.db2.gz LLAZFJWBAGMIGG-INIZCTEOSA-N 0 3 301.434 3.097 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ncccc1C#N ZINC000092695995 400196364 /nfs/dbraw/zinc/19/63/64/400196364.db2.gz UVQLUIQQZLLIHM-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN Cc1cccc(C)c1[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000595599775 400199208 /nfs/dbraw/zinc/19/92/08/400199208.db2.gz CDXKQYBQGDICKZ-INIZCTEOSA-N 0 3 311.429 3.003 20 30 DGEDHN CC(C#N)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000609920747 400202334 /nfs/dbraw/zinc/20/23/34/400202334.db2.gz GCVYKHZNIWBVIJ-LBPRGKRZSA-N 0 3 315.348 3.031 20 30 DGEDHN CCOc1ccccc1NC(=O)CCN1CCC[C@@H](CC#N)C1 ZINC000595619701 400209237 /nfs/dbraw/zinc/20/92/37/400209237.db2.gz FTRNYDRAWRCXBE-HNNXBMFYSA-N 0 3 315.417 3.040 20 30 DGEDHN N#CC[C@@H]1CCCN(C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000595622565 400211057 /nfs/dbraw/zinc/21/10/57/400211057.db2.gz BYBIZFLLTBMRMV-JXFKEZNVSA-N 0 3 308.425 3.369 20 30 DGEDHN CC(C)(NCCOc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000595635511 400213984 /nfs/dbraw/zinc/21/39/84/400213984.db2.gz LHJVEOIJLZNOEP-UHFFFAOYSA-N 0 3 305.381 3.334 20 30 DGEDHN Cc1cccc(OC[C@H](O)CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595636620 400214231 /nfs/dbraw/zinc/21/42/31/400214231.db2.gz TUDLTFNHLMNRJF-GOSISDBHSA-N 0 3 324.424 3.131 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)CCCCCC#N)CN1Cc1ccccc1 ZINC000588644096 400219235 /nfs/dbraw/zinc/21/92/35/400219235.db2.gz VIJNWJWSRHAFEZ-AEFFLSMTSA-N 0 3 313.445 3.240 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@H](C)C2CCC(F)CC2)c(C#N)c1C ZINC000595820271 400270005 /nfs/dbraw/zinc/27/00/05/400270005.db2.gz UJIICLPOKLJEEB-LMWSTFAQSA-N 0 3 321.396 3.213 20 30 DGEDHN N#Cc1ccncc1N1CCCN(CCCc2ccccc2)CC1 ZINC000094153525 400271124 /nfs/dbraw/zinc/27/11/24/400271124.db2.gz XNZLDPODQQLBMD-UHFFFAOYSA-N 0 3 320.440 3.098 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000601287450 400284463 /nfs/dbraw/zinc/28/44/63/400284463.db2.gz IXJQOESQKFWJHQ-ZPUIDXCVSA-N 0 3 306.356 3.467 20 30 DGEDHN C=CCCSCCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000595939194 400297050 /nfs/dbraw/zinc/29/70/50/400297050.db2.gz HFRAIFCVLGLGRJ-OAHLLOKOSA-N 0 3 306.475 3.138 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000595948456 400297105 /nfs/dbraw/zinc/29/71/05/400297105.db2.gz KTCQNCZGZWYQQI-DLBZAZTESA-N 0 3 305.466 3.217 20 30 DGEDHN CC(C)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000029197460 400301381 /nfs/dbraw/zinc/30/13/81/400301381.db2.gz QRXPYNABBIGRHF-SFHVURJKSA-N 0 3 313.445 3.316 20 30 DGEDHN CN(C(=O)CCN[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000596061457 400306647 /nfs/dbraw/zinc/30/66/47/400306647.db2.gz AIAVXCATHFQXJB-IBGZPJMESA-N 0 3 319.408 3.188 20 30 DGEDHN CC(C)(C)OC(=O)[C@H](CNCc1ccc(C#N)s1)C1CCC1 ZINC000596063925 400307423 /nfs/dbraw/zinc/30/74/23/400307423.db2.gz PKHVFWRGUFTDFQ-OAHLLOKOSA-N 0 3 320.458 3.467 20 30 DGEDHN CC(C)(C)OC(=O)[C@H](CNCc1cccc(C#N)c1)C1CCC1 ZINC000596062532 400307491 /nfs/dbraw/zinc/30/74/91/400307491.db2.gz HRWQYLIHSXYHMD-QGZVFWFLSA-N 0 3 314.429 3.406 20 30 DGEDHN CC(C)(C)OC(=O)[C@H](CNCc1cc(C#N)cs1)C1CCC1 ZINC000596061903 400307682 /nfs/dbraw/zinc/30/76/82/400307682.db2.gz CEWGXHZTYSRTDY-OAHLLOKOSA-N 0 3 320.458 3.467 20 30 DGEDHN N#CCN1CCC(N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000610813639 400311625 /nfs/dbraw/zinc/31/16/25/400311625.db2.gz NIGBXSTZCGUVBZ-KRWDZBQOSA-N 0 3 311.429 3.010 20 30 DGEDHN CCN1C[C@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000578099043 400325562 /nfs/dbraw/zinc/32/55/62/400325562.db2.gz AGNQODGBLWNSRD-GJZGRUSLSA-N 0 3 324.390 3.471 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccccc1CC#N ZINC000601622175 400318981 /nfs/dbraw/zinc/31/89/81/400318981.db2.gz SUSKGGLPGXPJEB-UHFFFAOYSA-N 0 3 323.396 3.075 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000595781601 400257981 /nfs/dbraw/zinc/25/79/81/400257981.db2.gz DBNOXRKHRKWOHN-SFHVURJKSA-N 0 3 314.429 3.348 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784856 400258155 /nfs/dbraw/zinc/25/81/55/400258155.db2.gz BZFRRKASFRLCJG-QFBILLFUSA-N 0 3 314.429 3.348 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790854 400261403 /nfs/dbraw/zinc/26/14/03/400261403.db2.gz ZAZLKLWMMYYRTB-SJLPKXTDSA-N 0 3 314.429 3.348 20 30 DGEDHN Cc1nc(-c2cc3c(s2)CCN(C(=O)C(C)C#N)C3)cs1 ZINC000611331479 400379282 /nfs/dbraw/zinc/37/92/82/400379282.db2.gz DRQNAUQORLDZPL-VIFPVBQESA-N 0 3 317.439 3.224 20 30 DGEDHN CC(C)(C)OC(=O)CCCCNCc1ccc(C#N)cc1F ZINC000611346601 400383168 /nfs/dbraw/zinc/38/31/68/400383168.db2.gz VJYOMUNSUDCGBC-UHFFFAOYSA-N 0 3 306.381 3.299 20 30 DGEDHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000611388497 400390041 /nfs/dbraw/zinc/39/00/41/400390041.db2.gz PHENKVACKGXENW-VQIMIIECSA-N 0 3 324.424 3.266 20 30 DGEDHN Cc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000601968839 400390387 /nfs/dbraw/zinc/39/03/87/400390387.db2.gz NXNMUTXYORGPMI-SJLPKXTDSA-N 0 3 324.424 3.152 20 30 DGEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000069345656 400327135 /nfs/dbraw/zinc/32/71/35/400327135.db2.gz LLKNTWVMUSTQFX-OAHLLOKOSA-N 0 3 304.434 3.448 20 30 DGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cccc(C#N)c1 ZINC000611387570 400390456 /nfs/dbraw/zinc/39/04/56/400390456.db2.gz PZJIZJFLKPKJIQ-LBPRGKRZSA-N 0 3 324.409 3.171 20 30 DGEDHN COc1ccc(C[C@H]2CCCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000610993758 400335762 /nfs/dbraw/zinc/33/57/62/400335762.db2.gz HOTSUMCHJUJDBM-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN CCOC(=O)CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000610997263 400337618 /nfs/dbraw/zinc/33/76/18/400337618.db2.gz USSWINYLUCAWRZ-UHFFFAOYSA-N 0 3 300.402 3.114 20 30 DGEDHN C[C@H](N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000589950142 400341394 /nfs/dbraw/zinc/34/13/94/400341394.db2.gz VMWKGPSSDQXVOQ-DUFXMDAXSA-N 0 3 316.298 3.194 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC1(C(F)F)CCCC1 ZINC000589949174 400341420 /nfs/dbraw/zinc/34/14/20/400341420.db2.gz LLSWINFECMPNLZ-AWEZNQCLSA-N 0 3 306.356 3.453 20 30 DGEDHN CC(C#N)C(=O)N(C)Cc1ccccc1OCc1ccccc1 ZINC000601760701 400344821 /nfs/dbraw/zinc/34/48/21/400344821.db2.gz IOFNBIDKWMRHPV-HNNXBMFYSA-N 0 3 308.381 3.384 20 30 DGEDHN C=CCOc1ccc(CNCc2cccc(NC(C)=O)c2)cc1 ZINC000069831043 400346365 /nfs/dbraw/zinc/34/63/65/400346365.db2.gz HWIULVZZLFWAJI-UHFFFAOYSA-N 0 3 310.397 3.500 20 30 DGEDHN N#CCN1CCC(NCc2c(Cl)oc3ccccc32)CC1 ZINC000611182956 400356262 /nfs/dbraw/zinc/35/62/62/400356262.db2.gz HIMUTSDGPKULBZ-UHFFFAOYSA-N 0 3 303.793 3.164 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000611274189 400371708 /nfs/dbraw/zinc/37/17/08/400371708.db2.gz JPCFRHOFCOONCH-KRWDZBQOSA-N 0 3 311.454 3.326 20 30 DGEDHN N#Cc1c(NC(=O)CCN2CC=CCC2)sc2c1CCCC2 ZINC000611517438 400414245 /nfs/dbraw/zinc/41/42/45/400414245.db2.gz BQRXIEFXDDRTGV-UHFFFAOYSA-N 0 3 315.442 3.089 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000117050433 400414298 /nfs/dbraw/zinc/41/42/98/400414298.db2.gz HKLJVSQFEOFHCM-HUUCEWRRSA-N 0 3 303.450 3.380 20 30 DGEDHN CC(C)c1ccc2ncc(C#N)c(N(C)CC3CN(C)C3)c2c1 ZINC000596453868 400419016 /nfs/dbraw/zinc/41/90/16/400419016.db2.gz PFFDGSCDNZSYTI-UHFFFAOYSA-N 0 3 308.429 3.228 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN(C)CC(C)(C)C ZINC000602167502 400419620 /nfs/dbraw/zinc/41/96/20/400419620.db2.gz QJSHRDCEFYTSQS-CQSZACIVSA-N 0 3 301.434 3.056 20 30 DGEDHN CCOc1ccc(CN2CCN(C[C@@H](C)CCC#N)CC2)cc1 ZINC000602429080 400459672 /nfs/dbraw/zinc/45/96/72/400459672.db2.gz DJYDJKRJUFHWDC-KRWDZBQOSA-N 0 3 315.461 3.143 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1C1CC1)C(C)C ZINC000590855464 400449333 /nfs/dbraw/zinc/44/93/33/400449333.db2.gz YIBDVYFVXOKPQX-ZWKOTPCHSA-N 0 3 319.493 3.269 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000127165425 400500387 /nfs/dbraw/zinc/50/03/87/400500387.db2.gz GLNHTEXKQYIIQQ-OAHLLOKOSA-N 0 3 319.836 3.206 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000591256292 400503802 /nfs/dbraw/zinc/50/38/02/400503802.db2.gz MIZVWHBQLOZBSJ-HRCADAONSA-N 0 3 306.356 3.074 20 30 DGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1cccc(C#N)n1)CC3 ZINC000602587367 400506459 /nfs/dbraw/zinc/50/64/59/400506459.db2.gz FMHBQMFYBDDBMT-AWEZNQCLSA-N 0 3 316.408 3.390 20 30 DGEDHN CN(Cc1cccc(C#N)n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000602474085 400471703 /nfs/dbraw/zinc/47/17/03/400471703.db2.gz QFMZIYXDAWUTHJ-IBGZPJMESA-N 0 3 306.413 3.054 20 30 DGEDHN C=C[C@@H](CC(=O)N(CC)[C@H]1CCN(CC)C1)c1ccccc1 ZINC000617926353 400480100 /nfs/dbraw/zinc/48/01/00/400480100.db2.gz BOSLVDKGMWUEHO-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN N#Cc1cccc(CNCCOc2cccc(C(F)(F)F)c2)n1 ZINC000602522255 400486910 /nfs/dbraw/zinc/48/69/10/400486910.db2.gz TUDBUNISVWTKJI-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@@H](N)CCCC#N ZINC000602523880 400486936 /nfs/dbraw/zinc/48/69/36/400486936.db2.gz HPWIANZBYZNIRX-SFHVURJKSA-N 0 3 315.461 3.309 20 30 DGEDHN N#Cc1cccc(CNCCCc2nc3c(s2)CCCC3)n1 ZINC000602529092 400489465 /nfs/dbraw/zinc/48/94/65/400489465.db2.gz DRZLZMYGZNIACO-UHFFFAOYSA-N 0 3 312.442 3.011 20 30 DGEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602558874 400496411 /nfs/dbraw/zinc/49/64/11/400496411.db2.gz WECBBMGQRGITOI-SJKOYZFVSA-N 0 3 315.804 3.472 20 30 DGEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597150469 400570381 /nfs/dbraw/zinc/57/03/81/400570381.db2.gz SWMLPMSAZPUJNQ-SFHVURJKSA-N 0 3 312.413 3.017 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618352445 400571767 /nfs/dbraw/zinc/57/17/67/400571767.db2.gz NXVMBXBCSQGNPN-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618354096 400573252 /nfs/dbraw/zinc/57/32/52/400573252.db2.gz UFSCCSIPVYPEBZ-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN CCN(C(=O)[C@H](C)CC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000596886769 400518187 /nfs/dbraw/zinc/51/81/87/400518187.db2.gz PULOLFGRAPSZRP-SOLBZPMBSA-N 0 3 313.445 3.220 20 30 DGEDHN CCO[C@H](CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602637636 400520551 /nfs/dbraw/zinc/52/05/51/400520551.db2.gz NMDJYULNZSGKKR-SJLPKXTDSA-N 0 3 316.445 3.453 20 30 DGEDHN C[C@H](CCC#N)CN(CCN(C)C)Cc1ccc(F)cc1F ZINC000602657876 400527542 /nfs/dbraw/zinc/52/75/42/400527542.db2.gz SUYBVPSCZSUPOQ-CQSZACIVSA-N 0 3 309.404 3.268 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@]12CCCO2 ZINC000602659504 400528245 /nfs/dbraw/zinc/52/82/45/400528245.db2.gz RQVOZTMXRFAGAN-BRWVUGGUSA-N 0 3 320.820 3.028 20 30 DGEDHN CC[C@@H]1Oc2cc([C@@H](C)NCC3(CC#N)CC3)ccc2NC1=O ZINC000602803923 400578760 /nfs/dbraw/zinc/57/87/60/400578760.db2.gz FJLWLGUJEZOLNM-DOMZBBRYSA-N 0 3 313.401 3.141 20 30 DGEDHN CO[C@](C)(CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602676444 400536000 /nfs/dbraw/zinc/53/60/00/400536000.db2.gz PXHQCVFIXDOBGG-FUHWJXTLSA-N 0 3 316.445 3.237 20 30 DGEDHN Cc1nc(CN)ccc1[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000591573317 400541012 /nfs/dbraw/zinc/54/10/12/400541012.db2.gz ITWYBUUSCAQDCW-NSHDSACASA-N 0 3 314.820 3.225 20 30 DGEDHN N#Cc1c2c(cnc1N[C@@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000591817506 400562112 /nfs/dbraw/zinc/56/21/12/400562112.db2.gz QXNCGZURFVEGDF-QGZVFWFLSA-N 0 3 318.424 3.128 20 30 DGEDHN N#CCCN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000602748644 400562714 /nfs/dbraw/zinc/56/27/14/400562714.db2.gz OVZNSNNBYPHAHM-UHFFFAOYSA-N 0 3 319.452 3.350 20 30 DGEDHN CCN(CCSC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000592201568 400623788 /nfs/dbraw/zinc/62/37/88/400623788.db2.gz HYVPJKOUOBQDCT-UHFFFAOYSA-N 0 3 314.458 3.144 20 30 DGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597456756 400633379 /nfs/dbraw/zinc/63/33/79/400633379.db2.gz UYTNOHBZLUIOLZ-HNNXBMFYSA-N 0 3 305.466 3.039 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000592076616 400603441 /nfs/dbraw/zinc/60/34/41/400603441.db2.gz FZMIBRZTKNZZJZ-QGZVFWFLSA-N 0 3 314.433 3.391 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000592481676 400657246 /nfs/dbraw/zinc/65/72/46/400657246.db2.gz KTYNRDGTFPRYDU-LZLYRXPVSA-N 0 3 319.493 3.295 20 30 DGEDHN COCc1cc(C#N)ccc1NC[C@H](c1ccccc1)N(C)C ZINC000603267504 400663078 /nfs/dbraw/zinc/66/30/78/400663078.db2.gz MKWWRFNYNYRBDY-LJQANCHMSA-N 0 3 309.413 3.419 20 30 DGEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513094 400660342 /nfs/dbraw/zinc/66/03/42/400660342.db2.gz VVMVDQFETIHXEA-KDOFPFPSSA-N 0 3 317.396 3.184 20 30 DGEDHN C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000613188778 400669969 /nfs/dbraw/zinc/66/99/69/400669969.db2.gz BRKUBFIIUPPUTG-QAPCUYQASA-N 0 3 317.477 3.087 20 30 DGEDHN CC(C)N(C(=O)[C@@H](C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597806887 400675113 /nfs/dbraw/zinc/67/51/13/400675113.db2.gz MQCBMKUZUDTURS-FUHWJXTLSA-N 0 3 313.445 3.048 20 30 DGEDHN Cc1cccn2c(CN[C@@H]3CCc4cc(C#N)ccc43)cnc12 ZINC000618742232 400680496 /nfs/dbraw/zinc/68/04/96/400680496.db2.gz UKOVLNPXVUAKCB-GOSISDBHSA-N 0 3 302.381 3.292 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000597859998 400681087 /nfs/dbraw/zinc/68/10/87/400681087.db2.gz JKNXZSXJVFFQOI-IAGOWNOFSA-N 0 3 313.445 3.063 20 30 DGEDHN CCC1CCC(N(CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)CC1 ZINC000603856380 400724445 /nfs/dbraw/zinc/72/44/45/400724445.db2.gz RIJCSQHDLXREMV-RJYAGPCLSA-N 0 3 319.493 3.474 20 30 DGEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000592995675 400728189 /nfs/dbraw/zinc/72/81/89/400728189.db2.gz DPIUOJGMLMONED-QWHCGFSZSA-N 0 3 312.291 3.244 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=C)C ZINC000052485643 400733303 /nfs/dbraw/zinc/73/33/03/400733303.db2.gz QSFQLIMBJQJGKS-UHFFFAOYSA-N 0 3 306.479 3.161 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC2(CC2(F)F)CC1 ZINC000593076491 400754809 /nfs/dbraw/zinc/75/48/09/400754809.db2.gz JXYIAOUEQMIGOH-UHFFFAOYSA-N 0 3 322.355 3.067 20 30 DGEDHN C[C@@H](C#N)N(C(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000598125352 400744836 /nfs/dbraw/zinc/74/48/36/400744836.db2.gz JOBNNIDRCOVAIZ-HNNXBMFYSA-N 0 3 311.429 3.189 20 30 DGEDHN N#CC[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000597911181 400694540 /nfs/dbraw/zinc/69/45/40/400694540.db2.gz HNZFJXVRHVXRPR-INIZCTEOSA-N 0 3 311.429 3.048 20 30 DGEDHN N#Cc1ccc(N2CCN(CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000077930930 400755860 /nfs/dbraw/zinc/75/58/60/400755860.db2.gz URIQYTFTEGHNIN-UHFFFAOYSA-N 0 3 309.335 3.109 20 30 DGEDHN C=CCCSCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000597967091 400704925 /nfs/dbraw/zinc/70/49/25/400704925.db2.gz NDLSXHADBNQKTC-INIZCTEOSA-N 0 3 310.507 3.209 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000598452838 400814758 /nfs/dbraw/zinc/81/47/58/400814758.db2.gz MVEYBBRPYVFDGT-HZMBPMFUSA-N 0 3 321.218 3.492 20 30 DGEDHN N#Cc1c(Cl)nsc1N1CCCN(C2CCCC2)CC1 ZINC000077994942 400760284 /nfs/dbraw/zinc/76/02/84/400760284.db2.gz CUDUTMKBTYRVTM-UHFFFAOYSA-N 0 3 310.854 3.123 20 30 DGEDHN COCCN(CCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000053100442 400765287 /nfs/dbraw/zinc/76/52/87/400765287.db2.gz TZNJEMWZAYJMET-UHFFFAOYSA-N 0 3 316.426 3.147 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000598253038 400770813 /nfs/dbraw/zinc/77/08/13/400770813.db2.gz AYNSZULILDTQDY-LPHOPBHVSA-N 0 3 320.392 3.268 20 30 DGEDHN N#CCN(C(=O)c1ccc(CN2CCCC2)cc1)C1CCCC1 ZINC000078209338 400778480 /nfs/dbraw/zinc/77/84/80/400778480.db2.gz MZAAOQJNPWKBSI-UHFFFAOYSA-N 0 3 311.429 3.191 20 30 DGEDHN CO[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000598393408 400801705 /nfs/dbraw/zinc/80/17/05/400801705.db2.gz HUYVUBIHSNGRSO-ROUUACIJSA-N 0 3 314.429 3.080 20 30 DGEDHN CC[C@H](C)N[C@H](CNC(=O)c1cscc1C#N)c1ccco1 ZINC000598736055 400870097 /nfs/dbraw/zinc/87/00/97/400870097.db2.gz XIIWMUPSGLFYKU-SMDDNHRTSA-N 0 3 317.414 3.072 20 30 DGEDHN C=CCNC(=O)CN[C@@H](CC)CSc1ccc(Cl)cc1 ZINC000180028868 400882198 /nfs/dbraw/zinc/88/21/98/400882198.db2.gz WXJYRBYRBNFQSI-ZDUSSCGKSA-N 0 3 312.866 3.103 20 30 DGEDHN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598591923 400838550 /nfs/dbraw/zinc/83/85/50/400838550.db2.gz FSPRGCDCIGEBHE-QWHCGFSZSA-N 0 3 309.479 3.308 20 30 DGEDHN CCc1csc([C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1 ZINC000598590897 400839246 /nfs/dbraw/zinc/83/92/46/400839246.db2.gz SBJHDRRCYHINDE-DZGCQCFKSA-N 0 3 321.490 3.186 20 30 DGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598599817 400841501 /nfs/dbraw/zinc/84/15/01/400841501.db2.gz FXRJRSGYLJDUQH-CABCVRRESA-N 0 3 304.434 3.425 20 30 DGEDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598600211 400841837 /nfs/dbraw/zinc/84/18/37/400841837.db2.gz IGHBKVRBWCPJQR-HOCLYGCPSA-N 0 3 304.434 3.425 20 30 DGEDHN C=C(C)[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598608190 400843185 /nfs/dbraw/zinc/84/31/85/400843185.db2.gz LUVDROFDCKDKTR-CZUORRHYSA-N 0 3 308.372 3.472 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000598619013 400844708 /nfs/dbraw/zinc/84/47/08/400844708.db2.gz UREKXGLPWHUQDK-ZBFHGGJFSA-N 0 3 306.837 3.430 20 30 DGEDHN CN(C)c1cc(CNCc2ccc(C#N)cc2)c2ccccc2n1 ZINC000174438642 400857254 /nfs/dbraw/zinc/85/72/54/400857254.db2.gz RUKOELNGGLMZNR-UHFFFAOYSA-N 0 3 316.408 3.462 20 30 DGEDHN CC(C)[C@@H](NC[C@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715920 400863981 /nfs/dbraw/zinc/86/39/81/400863981.db2.gz VCHBECHCAPUIRT-CZUORRHYSA-N 0 3 314.433 3.150 20 30 DGEDHN Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)c(OCC2CC2)c1 ZINC000598725892 400866774 /nfs/dbraw/zinc/86/67/74/400866774.db2.gz QGFVRCMXKCOKCA-KRWDZBQOSA-N 0 3 316.445 3.174 20 30 DGEDHN CSCc1cc(F)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598726070 400866941 /nfs/dbraw/zinc/86/69/41/400866941.db2.gz QXLRTVCCSXNJFE-HNNXBMFYSA-N 0 3 310.438 3.079 20 30 DGEDHN CSCc1cc(F)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598726071 400867082 /nfs/dbraw/zinc/86/70/82/400867082.db2.gz QXLRTVCCSXNJFE-OAHLLOKOSA-N 0 3 310.438 3.079 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(CC)C1CCC1)C(C)C ZINC000606641563 400936589 /nfs/dbraw/zinc/93/65/89/400936589.db2.gz IKXMCBYMTIGOCQ-QGZVFWFLSA-N 0 3 307.482 3.269 20 30 DGEDHN C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(C#N)c(F)c1 ZINC000599058003 400942503 /nfs/dbraw/zinc/94/25/03/400942503.db2.gz HEPKKVYYHGELJR-UGSOOPFHSA-N 0 3 310.372 3.489 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H]1Cc3ccccc3CO1)CC2 ZINC000599060462 400943046 /nfs/dbraw/zinc/94/30/46/400943046.db2.gz WZFAGOPNQPXHQO-AZUAARDMSA-N 0 3 304.393 3.277 20 30 DGEDHN C[C@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(C#N)cc1F ZINC000599067225 400946970 /nfs/dbraw/zinc/94/69/70/400946970.db2.gz YWLVFSIUEFTXGJ-AAEUAGOBSA-N 0 3 311.351 3.077 20 30 DGEDHN CCc1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593692756 400892485 /nfs/dbraw/zinc/89/24/85/400892485.db2.gz JLEPBWCQSVHUDB-UHFFFAOYSA-N 0 3 323.440 3.468 20 30 DGEDHN Cc1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)nc1 ZINC000593693323 400893160 /nfs/dbraw/zinc/89/31/60/400893160.db2.gz ULMPVWWRPWYKDZ-UHFFFAOYSA-N 0 3 320.440 3.016 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1cccc(Cl)c1 ZINC000182590611 400893983 /nfs/dbraw/zinc/89/39/83/400893983.db2.gz DAYNXXKPVCMJFI-BBRMVZONSA-N 0 3 321.852 3.389 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000183210916 400900157 /nfs/dbraw/zinc/90/01/57/400900157.db2.gz FTGCKJDBCWJLIU-DNVCBOLYSA-N 0 3 315.461 3.290 20 30 DGEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000183208848 400900238 /nfs/dbraw/zinc/90/02/38/400900238.db2.gz NPYODAQLQLMZBC-OALUTQOASA-N 0 3 315.461 3.336 20 30 DGEDHN CC(C)O[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000593788240 400910779 /nfs/dbraw/zinc/91/07/79/400910779.db2.gz ZCWHEGBXBPVEFA-MSOLQXFVSA-N 0 3 314.429 3.175 20 30 DGEDHN C=CCSCCNCc1cc(C)c(Br)cn1 ZINC000598961940 400912682 /nfs/dbraw/zinc/91/26/82/400912682.db2.gz CTFWHBISEVJUOL-UHFFFAOYSA-N 0 3 301.253 3.161 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000598981083 400920060 /nfs/dbraw/zinc/92/00/60/400920060.db2.gz JXCUMPGXEASLIA-QGZVFWFLSA-N 0 3 313.445 3.270 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN1C1CCCCC1 ZINC000599128354 400970416 /nfs/dbraw/zinc/97/04/16/400970416.db2.gz YFXDDYDAFKKSSR-INIZCTEOSA-N 0 3 314.389 3.285 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1Cl ZINC000599311008 401018585 /nfs/dbraw/zinc/01/85/85/401018585.db2.gz APXHLWVBKXUNHH-KGLIPLIRSA-N 0 3 322.836 3.062 20 30 DGEDHN Cc1ccc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)cc1C#N ZINC000599438135 401050834 /nfs/dbraw/zinc/05/08/34/401050834.db2.gz NAFPMTHTMPVFNQ-CQSZACIVSA-N 0 3 302.418 3.276 20 30 DGEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F ZINC000599349554 401029990 /nfs/dbraw/zinc/02/99/90/401029990.db2.gz JRAIRVYIZOSIDC-JSGCOSHPSA-N 0 3 324.371 3.383 20 30 DGEDHN CCC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599352377 401031841 /nfs/dbraw/zinc/03/18/41/401031841.db2.gz CKOFOKJOCGMFQM-CJNGLKHVSA-N 0 3 308.372 3.450 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NC[C@@H](O)COc2ccccc2C#N)c1 ZINC000599358451 401033763 /nfs/dbraw/zinc/03/37/63/401033763.db2.gz DEHJQGJKDOUDOV-QFBILLFUSA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246951673 401041305 /nfs/dbraw/zinc/04/13/05/401041305.db2.gz OXIUSNKYNMWJPP-QLPKVWCKSA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599677798 401110857 /nfs/dbraw/zinc/11/08/57/401110857.db2.gz LPVKYTSQQCGLLA-IERDGZPVSA-N 0 3 320.436 3.275 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCCCC#N ZINC000060366562 401110743 /nfs/dbraw/zinc/11/07/43/401110743.db2.gz QJIQZDBUFREKRG-LSDHHAIUSA-N 0 3 309.454 3.448 20 30 DGEDHN CN(CCN1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599679804 401111761 /nfs/dbraw/zinc/11/17/61/401111761.db2.gz XVXIROHFXNNOTJ-UHFFFAOYSA-N 0 3 305.425 3.247 20 30 DGEDHN COc1ccc([C@@H]2CCN(CCCSCC#N)C2)cc1F ZINC000599679235 401111910 /nfs/dbraw/zinc/11/19/10/401111910.db2.gz LLYYDPKCPQCESK-CQSZACIVSA-N 0 3 308.422 3.270 20 30 DGEDHN COC[C@H](C)N(Cc1ccnc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000599683309 401114186 /nfs/dbraw/zinc/11/41/86/401114186.db2.gz QVPLTILSGOXVHX-YWZLYKJASA-N 0 3 321.424 3.478 20 30 DGEDHN CCOc1ccc(CN(C)CCOc2ccccc2C#N)cc1 ZINC000060463584 401119350 /nfs/dbraw/zinc/11/93/50/401119350.db2.gz KHQFDUIOKTTYOU-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN Cc1c(Cl)cnc(N[C@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594596971 401122242 /nfs/dbraw/zinc/12/22/42/401122242.db2.gz BRCVPFCCJSBFOF-GJZGRUSLSA-N 0 3 304.825 3.344 20 30 DGEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000084134402 401128734 /nfs/dbraw/zinc/12/87/34/401128734.db2.gz IUYYNYVCWIUFIU-FQEVSTJZSA-N 0 3 306.409 3.392 20 30 DGEDHN COc1cccc([C@H](CNc2ccc(C#N)cc2F)N(C)C)c1 ZINC000059259985 401090241 /nfs/dbraw/zinc/09/02/41/401090241.db2.gz PQTWTIRNURCGRP-SFHVURJKSA-N 0 3 313.376 3.421 20 30 DGEDHN Cc1cccc(OCCN(C)CCOc2cccc(C#N)c2)c1 ZINC000059384355 401092658 /nfs/dbraw/zinc/09/26/58/401092658.db2.gz ANEALMTVLKRYCV-UHFFFAOYSA-N 0 3 310.397 3.256 20 30 DGEDHN C[C@@H](CN(C)[C@H](C)C(=O)NC1(C#N)CCC1)C1CCCCC1 ZINC000599633022 401096680 /nfs/dbraw/zinc/09/66/80/401096680.db2.gz KIKMECSHSGSDHI-LSDHHAIUSA-N 0 3 305.466 3.086 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1cc(C)ccc1C ZINC000599641148 401099495 /nfs/dbraw/zinc/09/94/95/401099495.db2.gz PTFJDTXKTKVTAX-CRAIPNDOSA-N 0 3 315.461 3.352 20 30 DGEDHN C=CCSCCNCc1cncc(Br)c1C ZINC000594923510 401190310 /nfs/dbraw/zinc/19/03/10/401190310.db2.gz YNPIPOCBJVDYCO-UHFFFAOYSA-N 0 3 301.253 3.161 20 30 DGEDHN COC(=O)CCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000063513169 401198573 /nfs/dbraw/zinc/19/85/73/401198573.db2.gz VDIVFMROEFRLKS-UHFFFAOYSA-N 0 3 308.381 3.124 20 30 DGEDHN C=CCCSCCNCc1ccnn1-c1ccc(F)cc1 ZINC000594960159 401208809 /nfs/dbraw/zinc/20/88/09/401208809.db2.gz LNVCCYCZLYWQSL-UHFFFAOYSA-N 0 3 305.422 3.410 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000065959588 401286784 /nfs/dbraw/zinc/28/67/84/401286784.db2.gz FXWBLCPXQOPXHW-IBGZPJMESA-N 0 3 311.425 3.157 20 30 DGEDHN Cc1nnc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c(C#N)c1C ZINC000064915942 401254526 /nfs/dbraw/zinc/25/45/26/401254526.db2.gz DPHGOONMIHMMGA-NVXWUHKLSA-N 0 3 321.428 3.213 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cscc2C(F)(F)F)CC1 ZINC000621858761 401308671 /nfs/dbraw/zinc/30/86/71/401308671.db2.gz CLAQLQASSFTABQ-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN C=C[C@H](CC(=O)N(CC)C1CCN(C)CC1)c1ccccc1 ZINC000627617517 401476840 /nfs/dbraw/zinc/47/68/40/401476840.db2.gz IWFUSRCVRULKKB-MRXNPFEDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](CO)C(C)C)cc1OC ZINC000623441156 401518914 /nfs/dbraw/zinc/51/89/14/401518914.db2.gz FWJNHBJWITZSIT-CQSZACIVSA-N 0 3 313.825 3.020 20 30 DGEDHN C=CCOc1c(Cl)cc(CNC[C@H](CC)OC)cc1OC ZINC000623528669 401540716 /nfs/dbraw/zinc/54/07/16/401540716.db2.gz YCVXNQPPKDDFPB-ZDUSSCGKSA-N 0 3 313.825 3.428 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000633034169 401646600 /nfs/dbraw/zinc/64/66/00/401646600.db2.gz VXEATQGDWCTSMQ-OAQYLSRUSA-N 0 3 324.468 3.467 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000633034168 401646629 /nfs/dbraw/zinc/64/66/29/401646629.db2.gz VXEATQGDWCTSMQ-NRFANRHFSA-N 0 3 324.468 3.467 20 30 DGEDHN COCC1(C#N)CCN(CC[C@H](C)OCc2ccccc2)CC1 ZINC000342004279 292208503 /nfs/dbraw/zinc/20/85/03/292208503.db2.gz YYCQIARMKMDCNQ-KRWDZBQOSA-N 0 3 316.445 3.234 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2)[C@@H]1Oc1ccccc1 ZINC000186103412 165027682 /nfs/dbraw/zinc/02/76/82/165027682.db2.gz WMWNPUQIEGFEMS-AABGKKOBSA-N 0 3 322.408 3.273 20 30 DGEDHN Cc1cc(C(F)(F)F)c(C#N)c(SC[C@@H]2CCN(C)C2)n1 ZINC000191023492 165226811 /nfs/dbraw/zinc/22/68/11/165226811.db2.gz AXEVJPMLSQPMEH-SNVBAGLBSA-N 0 3 315.364 3.324 20 30 DGEDHN Cc1nccn1-c1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000191304461 165242825 /nfs/dbraw/zinc/24/28/25/165242825.db2.gz BDVLSIFCQSZQGL-CQSZACIVSA-N 0 3 319.412 3.242 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000192074605 165280584 /nfs/dbraw/zinc/28/05/84/165280584.db2.gz JRVDQJXPTOMKPZ-IAGOWNOFSA-N 0 3 302.393 3.477 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3cccc(F)c3)CCC2)CC1 ZINC000171720037 432164500 /nfs/dbraw/zinc/16/45/00/432164500.db2.gz HEGOLANFXCUETK-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2sc(CCC)nc2C)CC1 ZINC000171728890 432164530 /nfs/dbraw/zinc/16/45/30/432164530.db2.gz KXWHMQIJMOJXSQ-UHFFFAOYSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2CCCC)CC1 ZINC000171733555 432166677 /nfs/dbraw/zinc/16/66/77/432166677.db2.gz YLCXUWXUAZXZEY-WBVHZDCISA-N 0 3 307.482 3.295 20 30 DGEDHN COc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1C#N ZINC000246837220 432170416 /nfs/dbraw/zinc/17/04/16/432170416.db2.gz ONPMXRGASDACMY-WBVHZDCISA-N 0 3 302.443 3.427 20 30 DGEDHN N#Cc1cc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc1F ZINC000246940947 432183706 /nfs/dbraw/zinc/18/37/06/432183706.db2.gz UDYLFWKVAUCAEY-KXBFYZLASA-N 0 3 313.420 3.146 20 30 DGEDHN C=CCc1cc(CN2CCSC[C@@H](C)C2)cc(OC)c1O ZINC000190844874 432193459 /nfs/dbraw/zinc/19/34/59/432193459.db2.gz MILFLFNJHKPACX-ZDUSSCGKSA-N 0 3 307.459 3.314 20 30 DGEDHN COc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1C#N ZINC000269719406 432203162 /nfs/dbraw/zinc/20/31/62/432203162.db2.gz TXDRCBAEOSHXNL-LJQANCHMSA-N 0 3 322.408 3.049 20 30 DGEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000130702732 196102659 /nfs/dbraw/zinc/10/26/59/196102659.db2.gz DIZLGIBCLTWTDI-QGZVFWFLSA-N 0 3 310.401 3.114 20 30 DGEDHN COCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190969485 432207403 /nfs/dbraw/zinc/20/74/03/432207403.db2.gz NJOCAAXAOXOIRH-OAHLLOKOSA-N 0 3 317.348 3.266 20 30 DGEDHN C[C@H](O)C[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000269797969 432209103 /nfs/dbraw/zinc/20/91/03/432209103.db2.gz LMFSRQSFBRFVBS-BBRMVZONSA-N 0 3 311.347 3.292 20 30 DGEDHN C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)OCC ZINC000270115646 432228199 /nfs/dbraw/zinc/22/81/99/432228199.db2.gz UHYZMRPAMWNQFJ-ZWKOTPCHSA-N 0 3 318.461 3.085 20 30 DGEDHN C=CCN(CCOC)CCC(=O)Nc1cccc2ccccc21 ZINC000191120471 432223248 /nfs/dbraw/zinc/22/32/48/432223248.db2.gz RFLHQVZOOBSXLH-UHFFFAOYSA-N 0 3 312.413 3.303 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCc3ccsc3C2)cc1 ZINC000132935600 196298203 /nfs/dbraw/zinc/29/82/03/196298203.db2.gz WUSNHVHHCWXOEL-UHFFFAOYSA-N 0 3 311.410 3.007 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)o1 ZINC000132999523 196303643 /nfs/dbraw/zinc/30/36/43/196303643.db2.gz GNKZOEQWNUMROJ-LLVKDONJSA-N 0 3 319.767 3.312 20 30 DGEDHN N#CCCCCNCc1cc(Br)cc2c1OCC2 ZINC000129169672 227013217 /nfs/dbraw/zinc/01/32/17/227013217.db2.gz KFBRNVJTJRHTSI-UHFFFAOYSA-N 0 3 309.207 3.167 20 30 DGEDHN COc1ccc(C#N)cc1NC1CCN(c2ccncc2)CC1 ZINC000297343214 227038172 /nfs/dbraw/zinc/03/81/72/227038172.db2.gz DRVFFGVOTCADOJ-UHFFFAOYSA-N 0 3 308.385 3.043 20 30 DGEDHN C[C@H](OC[C@@H](O)CN1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000145651665 227052654 /nfs/dbraw/zinc/05/26/54/227052654.db2.gz AKQWQTRSIHTMDJ-GUYCJALGSA-N 0 3 322.836 3.014 20 30 DGEDHN C[C@H]1CCN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000174805127 228294385 /nfs/dbraw/zinc/29/43/85/228294385.db2.gz YEMSVHNOBVGNME-HKUYNNGSSA-N 0 3 310.445 3.026 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172068863 228273710 /nfs/dbraw/zinc/27/37/10/228273710.db2.gz IMYWKJFBQPPSKR-PMACEKPBSA-N 0 3 322.408 3.117 20 30 DGEDHN C[C@@H](O)c1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181563894 228363168 /nfs/dbraw/zinc/36/31/68/228363168.db2.gz ZGEMJXZAEVOQJP-LSDHHAIUSA-N 0 3 310.397 3.493 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185798154 228396663 /nfs/dbraw/zinc/39/66/63/228396663.db2.gz NXOQTSBKNIAEFP-ZBFHGGJFSA-N 0 3 312.392 3.492 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000185869174 228399676 /nfs/dbraw/zinc/39/96/76/228399676.db2.gz ZGHSBBZRNVQIAU-RYUDHWBXSA-N 0 3 313.323 3.151 20 30 DGEDHN Cc1csc([C@H](C)NC(=O)NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000331328362 229029194 /nfs/dbraw/zinc/02/91/94/229029194.db2.gz PWTMQINEOCIERD-STQMWFEESA-N 0 3 324.494 3.137 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1 ZINC000332417734 229035694 /nfs/dbraw/zinc/03/56/94/229035694.db2.gz VKWCOOJWESMGCG-GUYCJALGSA-N 0 3 315.392 3.168 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cc(F)cc(Cl)c2)nc(C)n1 ZINC000340860226 229092588 /nfs/dbraw/zinc/09/25/88/229092588.db2.gz PLFLUMQNLIKWDW-CYBMUJFWSA-N 0 3 303.724 3.376 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000341553116 229099914 /nfs/dbraw/zinc/09/99/14/229099914.db2.gz FTLXGALZVOKJBB-NOZJJQNGSA-N 0 3 312.291 3.312 20 30 DGEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2ccc(F)cc2)cc1 ZINC000344131469 229134125 /nfs/dbraw/zinc/13/41/25/229134125.db2.gz MGSAGSLHWAKGCD-SJCJKPOMSA-N 0 3 312.344 3.200 20 30 DGEDHN COc1ccc(CN[C@]2(C)CCO[C@@H]2C)cc1OCCCC#N ZINC000344390128 229136580 /nfs/dbraw/zinc/13/65/80/229136580.db2.gz HGXWQCOMKAUIJR-RDTXWAMCSA-N 0 3 318.417 3.035 20 30 DGEDHN Cc1cc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000348182238 229199438 /nfs/dbraw/zinc/19/94/38/229199438.db2.gz PTXAERFRMOLUJW-DYVFJYSZSA-N 0 3 321.380 3.328 20 30 DGEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000349802276 229217784 /nfs/dbraw/zinc/21/77/84/229217784.db2.gz NGKXQOAAECBJMC-ROUUACIJSA-N 0 3 308.429 3.330 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000357840141 229353089 /nfs/dbraw/zinc/35/30/89/229353089.db2.gz USHRGLAXUYWBQG-JTQLQIEISA-N 0 3 311.366 3.332 20 30 DGEDHN CC(C#N)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000358069399 229356749 /nfs/dbraw/zinc/35/67/49/229356749.db2.gz SOXABMWYJHLYIF-NSHDSACASA-N 0 3 319.202 3.224 20 30 DGEDHN CC(C#N)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000358274028 229359070 /nfs/dbraw/zinc/35/90/70/229359070.db2.gz LAWFWKDHKZWKRS-NSHDSACASA-N 0 3 308.303 3.481 20 30 DGEDHN CN(C)[C@H](CNc1nc2ccccn2c1C#N)c1ccc(F)cc1 ZINC000302061958 230073030 /nfs/dbraw/zinc/07/30/30/230073030.db2.gz BWKXMGKNMLMVMU-MRXNPFEDSA-N 0 3 323.375 3.060 20 30 DGEDHN N#Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)nc1 ZINC000346877548 264113258 /nfs/dbraw/zinc/11/32/58/264113258.db2.gz XYSREJRTADRRLA-UHFFFAOYSA-N 0 3 320.396 3.191 20 30 DGEDHN COC(=O)C[C@@H](NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000348009186 264323061 /nfs/dbraw/zinc/32/30/61/264323061.db2.gz WQOYCHMECWESNS-QGZVFWFLSA-N 0 3 318.392 3.299 20 30 DGEDHN CCN(CC1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000361481829 270004686 /nfs/dbraw/zinc/00/46/86/270004686.db2.gz RGEJIKCWTCVRJQ-GOSISDBHSA-N 0 3 311.429 3.176 20 30 DGEDHN CC(C)N1CCN(c2cccc(Nc3ncccc3C#N)c2)CC1 ZINC000534315208 270005065 /nfs/dbraw/zinc/00/50/65/270005065.db2.gz NKNSOUVWPZUWIZ-UHFFFAOYSA-N 0 3 321.428 3.227 20 30 DGEDHN N#Cc1cccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000351912939 264853844 /nfs/dbraw/zinc/85/38/44/264853844.db2.gz NGLNPMJLDHTGAP-HXUWFJFHSA-N 0 3 322.408 3.228 20 30 DGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc(C#N)cc1Cl ZINC000352683556 265127862 /nfs/dbraw/zinc/12/78/62/265127862.db2.gz UHUOWCFKEUYYAK-IUKJFTNHSA-N 0 3 302.805 3.067 20 30 DGEDHN CC(=O)Nc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353261234 265365586 /nfs/dbraw/zinc/36/55/86/265365586.db2.gz CUSMZHBELDUYHW-IBGZPJMESA-N 0 3 305.381 3.294 20 30 DGEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000353415113 265422181 /nfs/dbraw/zinc/42/21/81/265422181.db2.gz UTPDMQBGWRAFHY-QGZVFWFLSA-N 0 3 308.381 3.353 20 30 DGEDHN CN(CCCNC(=O)c1ccc(CC#N)cc1)Cc1ccccc1 ZINC000270211640 432229400 /nfs/dbraw/zinc/22/94/00/432229400.db2.gz JMIGNJBVFJXGAI-UHFFFAOYSA-N 0 3 321.424 3.005 20 30 DGEDHN CCN1CCN(c2ccccc2CNc2cccc(C#N)c2)CC1 ZINC000355728096 266167509 /nfs/dbraw/zinc/16/75/09/266167509.db2.gz CTLGYZPXJNYABR-UHFFFAOYSA-N 0 3 320.440 3.312 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000356107972 266286083 /nfs/dbraw/zinc/28/60/83/266286083.db2.gz FLAQHOMCBDLCHU-CABCVRRESA-N 0 3 310.319 3.234 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(CC)CC ZINC000361549596 266301799 /nfs/dbraw/zinc/30/17/99/266301799.db2.gz AQZCYQHUJHSPPJ-SJORKVTESA-N 0 3 303.450 3.312 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)CCOc2ccc(C#N)cc2)C12CCC2 ZINC000357803357 266302218 /nfs/dbraw/zinc/30/22/18/266302218.db2.gz OHJICHDETSRZAV-MSOLQXFVSA-N 0 3 314.429 3.217 20 30 DGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(F)cc2C#N)C1 ZINC000362231145 267009406 /nfs/dbraw/zinc/00/94/06/267009406.db2.gz ZPNNWMAYKFVEQT-ACJLOTCBSA-N 0 3 304.409 3.364 20 30 DGEDHN C[C@@H]1CCCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000360594552 267010840 /nfs/dbraw/zinc/01/08/40/267010840.db2.gz AZOYHNGCAUYTOR-QAPCUYQASA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)c1cccc(C#N)c1 ZINC000359851192 267134355 /nfs/dbraw/zinc/13/43/55/267134355.db2.gz WOXGSNZJSCRDRO-HNAYVOBHSA-N 0 3 321.424 3.081 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000403983606 267163353 /nfs/dbraw/zinc/16/33/53/267163353.db2.gz BNMZLJKQDMVAEO-OAHLLOKOSA-N 0 3 311.404 3.307 20 30 DGEDHN C[C@H](NCCOc1ccccc1C#N)c1ccc2n[nH]cc2c1 ZINC000353176354 267183921 /nfs/dbraw/zinc/18/39/21/267183921.db2.gz TVBFBXSNAWWMJK-ZDUSSCGKSA-N 0 3 306.369 3.164 20 30 DGEDHN CC[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000497129675 267220591 /nfs/dbraw/zinc/22/05/91/267220591.db2.gz LVLGFBHUGHWNBT-HNNXBMFYSA-N 0 3 303.406 3.124 20 30 DGEDHN CCc1cc(OC)ccc1CNCCOc1ccc(C#N)cc1 ZINC000501453908 267245917 /nfs/dbraw/zinc/24/59/17/267245917.db2.gz WPINXJXOQBSPRF-UHFFFAOYSA-N 0 3 310.397 3.298 20 30 DGEDHN C[C@](CO)(CNCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000361737917 267255635 /nfs/dbraw/zinc/25/56/35/267255635.db2.gz QQEVCXGVLRIOJU-LJQANCHMSA-N 0 3 312.388 3.028 20 30 DGEDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C#N)cn1 ZINC000399609365 267301411 /nfs/dbraw/zinc/30/14/11/267301411.db2.gz XRMNCQLBUWUHDO-LPHOPBHVSA-N 0 3 320.440 3.149 20 30 DGEDHN Cc1ccc(CN(CCO)CCCOc2cccc(C#N)c2)cc1 ZINC000361062577 267410992 /nfs/dbraw/zinc/41/09/92/267410992.db2.gz MQJGLLWMZHGWEQ-UHFFFAOYSA-N 0 3 324.424 3.130 20 30 DGEDHN Cc1nsc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1C#N ZINC000367518273 267700190 /nfs/dbraw/zinc/70/01/90/267700190.db2.gz HOFCWBZXZCIQBU-WBVHZDCISA-N 0 3 324.453 3.034 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000151354565 432239489 /nfs/dbraw/zinc/23/94/89/432239489.db2.gz KNBBFYXWWYOTMA-ACBHZAAOSA-N 0 3 308.510 3.146 20 30 DGEDHN N#Cc1ccc(C2=CCN(C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000374307743 268054798 /nfs/dbraw/zinc/05/47/98/268054798.db2.gz IGUQNAGKACYDFB-OAQYLSRUSA-N 0 3 318.420 3.251 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnn2ccccc12 ZINC000353920600 268219225 /nfs/dbraw/zinc/21/92/25/268219225.db2.gz NFBRMPVEXCSCDF-GOSISDBHSA-N 0 3 302.381 3.373 20 30 DGEDHN N#Cc1cccc(CN2CCC(CCCn3ccnc3)CC2)c1 ZINC000361046152 268247698 /nfs/dbraw/zinc/24/76/98/268247698.db2.gz NUSSSMQJRBUELM-UHFFFAOYSA-N 0 3 308.429 3.447 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC(OCC3CC3)CC2)c1 ZINC000360038484 268271867 /nfs/dbraw/zinc/27/18/67/268271867.db2.gz HREAARBRFZHJKM-UHFFFAOYSA-N 0 3 314.429 3.218 20 30 DGEDHN N#Cc1cccc(OCCCN(CCCO)Cc2ccccc2)c1 ZINC000362967467 268272615 /nfs/dbraw/zinc/27/26/15/268272615.db2.gz RNCNFUITTJQBKI-UHFFFAOYSA-N 0 3 324.424 3.212 20 30 DGEDHN N#Cc1ccncc1NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000362014037 268300850 /nfs/dbraw/zinc/30/08/50/268300850.db2.gz RUMJCMUFOPRKNB-KRWDZBQOSA-N 0 3 306.413 3.277 20 30 DGEDHN N#Cc1csc(CNCC2CCN(c3ccccc3)CC2)n1 ZINC000352852507 268320666 /nfs/dbraw/zinc/32/06/66/268320666.db2.gz KKVSSTXYONLCQP-UHFFFAOYSA-N 0 3 312.442 3.021 20 30 DGEDHN CC1=CCC[C@H](C)[C@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000443408515 273596599 /nfs/dbraw/zinc/59/65/99/273596599.db2.gz KXQMKUMCGHUNQR-WMZOPIPTSA-N 0 3 310.445 3.068 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1cc(C#N)ccc1OC ZINC000191491874 274049276 /nfs/dbraw/zinc/04/92/76/274049276.db2.gz NLZVFEDWKRQHEK-IBGZPJMESA-N 0 3 324.424 3.256 20 30 DGEDHN CS[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1N1CCCC1 ZINC000450459518 274182805 /nfs/dbraw/zinc/18/28/05/274182805.db2.gz XFZXPZMBIYXPTJ-JKSUJKDBSA-N 0 3 321.877 3.228 20 30 DGEDHN Cc1[nH]nc2ncc(CN[C@@H]3CCCc4cc(C#N)ccc43)cc12 ZINC000418146562 274657237 /nfs/dbraw/zinc/65/72/37/274657237.db2.gz PZXGCDXCLUXOPD-GOSISDBHSA-N 0 3 317.396 3.305 20 30 DGEDHN N#Cc1ccc(CN2CCNC[C@H]2c2ccccc2Cl)cc1 ZINC000262298581 274922784 /nfs/dbraw/zinc/92/27/84/274922784.db2.gz XEMAOWUJWMOYPU-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000170667444 275422350 /nfs/dbraw/zinc/42/23/50/275422350.db2.gz ZDEDPKZAEPHRPK-INIZCTEOSA-N 0 3 314.429 3.057 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758645 275423329 /nfs/dbraw/zinc/42/33/29/275423329.db2.gz SKXMASCJWUAKTQ-CJNGLKHVSA-N 0 3 324.852 3.040 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000454459820 275738812 /nfs/dbraw/zinc/73/88/12/275738812.db2.gz HPVJIOOBYHQNLW-DLBZAZTESA-N 0 3 319.493 3.247 20 30 DGEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486811352 276270302 /nfs/dbraw/zinc/27/03/02/276270302.db2.gz TYEDAKQYVMZXQD-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN CN(C)[C@@]1(CNC(=O)c2coc(C3CCCC3)n2)CCSC1 ZINC000328782079 276847516 /nfs/dbraw/zinc/84/75/16/276847516.db2.gz UZLWCEVOCQAGBL-MRXNPFEDSA-N 0 3 323.462 3.074 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000245702361 276891407 /nfs/dbraw/zinc/89/14/07/276891407.db2.gz BPFMGRTYHVJQAQ-JFIYKMOQSA-N 0 3 322.493 3.005 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000355738960 277887299 /nfs/dbraw/zinc/88/72/99/277887299.db2.gz QROCEVISRNTHDN-XIRDDKMYSA-N 0 3 303.450 3.332 20 30 DGEDHN C[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271924267 278356492 /nfs/dbraw/zinc/35/64/92/278356492.db2.gz FYNMFHBCYFTPRT-BFUOFWGJSA-N 0 3 310.372 3.182 20 30 DGEDHN C[C@H](C(=O)N[C@@H]1CCCc2c1cnn2C)N1CCCCCC1 ZINC000329725741 279180453 /nfs/dbraw/zinc/18/04/53/279180453.db2.gz GHQNYLARBVGEHG-UKRRQHHQSA-N 0 3 304.438 3.019 20 30 DGEDHN CC(C)C[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)Nc1nccs1 ZINC000193066995 279195769 /nfs/dbraw/zinc/19/57/69/279195769.db2.gz IGWOBRJXZFXAJN-IHRRRGAJSA-N 0 3 320.462 3.168 20 30 DGEDHN COc1ccc([C@H](CNc2ncccc2C#N)N2CCCC2)cc1 ZINC000068838117 431144804 /nfs/dbraw/zinc/14/48/04/431144804.db2.gz HROYJLZWPVDYNP-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN N#CCCCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000069016095 431157793 /nfs/dbraw/zinc/15/77/93/431157793.db2.gz ADUPEEDMJVYPBQ-UHFFFAOYSA-N 0 3 311.389 3.005 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000111259533 431205254 /nfs/dbraw/zinc/20/52/54/431205254.db2.gz PBVUTBLYALDBHJ-GJZGRUSLSA-N 0 3 316.445 3.159 20 30 DGEDHN COCCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000069674711 431212446 /nfs/dbraw/zinc/21/24/46/431212446.db2.gz KHBVHNCCUHRBMR-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CC1 ZINC000112210505 431255268 /nfs/dbraw/zinc/25/52/68/431255268.db2.gz VDETYFYOSRUWJW-UHFFFAOYSA-N 0 3 319.836 3.319 20 30 DGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCCC[C@H]2C)c(OC)c1 ZINC000004195354 431297087 /nfs/dbraw/zinc/29/70/87/431297087.db2.gz PENXACNWTATTNQ-WBVHZDCISA-N 0 3 319.445 3.038 20 30 DGEDHN C[C@@H]1CN(CCC(C)(C)C#N)[C@H](C)CN1CCC(C)(C)C#N ZINC000345734683 288155421 /nfs/dbraw/zinc/15/54/21/288155421.db2.gz DOFPWSCBOUACQZ-HZPDHXFCSA-N 0 3 304.482 3.261 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000072827795 431351893 /nfs/dbraw/zinc/35/18/93/431351893.db2.gz XZFJQMXZRXBXBC-AWEZNQCLSA-N 0 3 306.475 3.383 20 30 DGEDHN N#Cc1cccc(CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000114193531 431376597 /nfs/dbraw/zinc/37/65/97/431376597.db2.gz GHLNXTPIMKFJGU-FQEVSTJZSA-N 0 3 306.409 3.430 20 30 DGEDHN N#CCSCCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000074991272 431447922 /nfs/dbraw/zinc/44/79/22/431447922.db2.gz KFRBMQLEUNXVPH-HNNXBMFYSA-N 0 3 320.433 3.367 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC000115372869 431451597 /nfs/dbraw/zinc/45/15/97/431451597.db2.gz DJKWFQSLGFBURI-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116960514 431541150 /nfs/dbraw/zinc/54/11/50/431541150.db2.gz PQJVUSRUNQJGHQ-JKSUJKDBSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000117026039 431545263 /nfs/dbraw/zinc/54/52/63/431545263.db2.gz ACNUPQBUFYQZJQ-KGLIPLIRSA-N 0 3 307.463 3.149 20 30 DGEDHN C=CCNC(=O)[C@H](C)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000076393453 431546933 /nfs/dbraw/zinc/54/69/33/431546933.db2.gz STJWZYFXGYHHLF-HNNXBMFYSA-N 0 3 315.461 3.151 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000118400042 431602729 /nfs/dbraw/zinc/60/27/29/431602729.db2.gz VIPQKRJIKARTBV-PBHICJAKSA-N 0 3 321.428 3.037 20 30 DGEDHN CCC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000024591245 431642186 /nfs/dbraw/zinc/64/21/86/431642186.db2.gz QTUFFFNVDLMFSG-QUCCMNQESA-N 0 3 324.424 3.429 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2nc3ccccc3s2)CC1 ZINC000119649759 431712458 /nfs/dbraw/zinc/71/24/58/431712458.db2.gz JSPWFLFLSOJDCA-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000120249589 431724939 /nfs/dbraw/zinc/72/49/39/431724939.db2.gz PRVWLSZNRXSHOJ-DOTOQJQBSA-N 0 3 321.852 3.435 20 30 DGEDHN CCN(Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1)C1CC1 ZINC000085439055 431840115 /nfs/dbraw/zinc/84/01/15/431840115.db2.gz IECHWYDEUJLJST-KRWDZBQOSA-N 0 3 313.445 3.339 20 30 DGEDHN CCCCNC(=O)C1(NCc2cccc(C#N)c2)CCCCC1 ZINC000085906891 431842198 /nfs/dbraw/zinc/84/21/98/431842198.db2.gz IBPVLKRLUIWNML-UHFFFAOYSA-N 0 3 313.445 3.267 20 30 DGEDHN N#Cc1ccc(CN2CCCN(Cc3ccsc3)CC2)cc1 ZINC000122840673 431846026 /nfs/dbraw/zinc/84/60/26/431846026.db2.gz WUKLMDJXPZMLFM-UHFFFAOYSA-N 0 3 311.454 3.328 20 30 DGEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041521019 431859571 /nfs/dbraw/zinc/85/95/71/431859571.db2.gz DYOIEWRZUFUBKF-LBPRGKRZSA-N 0 3 316.382 3.349 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000122234400 431822890 /nfs/dbraw/zinc/82/28/90/431822890.db2.gz ZSDCNUDADIPLNO-CZUORRHYSA-N 0 3 321.852 3.389 20 30 DGEDHN C=CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000036031137 431833931 /nfs/dbraw/zinc/83/39/31/431833931.db2.gz VSDFZUUNUZZSNC-IEBWSBKVSA-N 0 3 319.445 3.003 20 30 DGEDHN CN(Cc1cn(C)nc1C(F)(F)F)CC(C)(C)CCC#N ZINC000092069218 431907919 /nfs/dbraw/zinc/90/79/19/431907919.db2.gz UVZBONMYLHVAOY-UHFFFAOYSA-N 0 3 302.344 3.201 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648558 431910990 /nfs/dbraw/zinc/91/09/90/431910990.db2.gz PLCJECLFQAWXMU-OAHLLOKOSA-N 0 3 310.401 3.011 20 30 DGEDHN N#Cc1cccc(COc2cccc(CNC[C@@H]3CCCO3)c2)c1 ZINC000047688108 431914851 /nfs/dbraw/zinc/91/48/51/431914851.db2.gz JYADZHKUGPBYNR-FQEVSTJZSA-N 0 3 322.408 3.406 20 30 DGEDHN CCOC[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000093838884 431916747 /nfs/dbraw/zinc/91/67/47/431916747.db2.gz ATSRZNBNCFHOLN-QGZVFWFLSA-N 0 3 302.418 3.228 20 30 DGEDHN C=CCOc1cccc(CNC[C@@](C)(O)c2ccsc2)c1 ZINC000124141968 431884420 /nfs/dbraw/zinc/88/44/20/431884420.db2.gz GWTMFFUJCRJGNT-QGZVFWFLSA-N 0 3 303.427 3.310 20 30 DGEDHN Cc1sc(NC(=O)CN(C)C2CCCCC2)c(C#N)c1C ZINC000124271749 431888297 /nfs/dbraw/zinc/88/82/97/431888297.db2.gz MXUXQRCPMPRWMV-UHFFFAOYSA-N 0 3 305.447 3.440 20 30 DGEDHN C#CCCCCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000090398429 431891238 /nfs/dbraw/zinc/89/12/38/431891238.db2.gz DMJUDQVEBWBJEN-ZDUSSCGKSA-N 0 3 300.381 3.169 20 30 DGEDHN CC[C@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000046171372 431895155 /nfs/dbraw/zinc/89/51/55/431895155.db2.gz GRFKQANHXDVFJF-LPHOPBHVSA-N 0 3 315.461 3.342 20 30 DGEDHN C=CCCOCCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090883539 431896634 /nfs/dbraw/zinc/89/66/34/431896634.db2.gz OUWBWUKSGYCAGH-HNNXBMFYSA-N 0 3 302.418 3.057 20 30 DGEDHN C=CCCOCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090883773 431896740 /nfs/dbraw/zinc/89/67/40/431896740.db2.gz SBSOBLPLBMBDQQ-HNNXBMFYSA-N 0 3 302.418 3.057 20 30 DGEDHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046835898 431901122 /nfs/dbraw/zinc/90/11/22/431901122.db2.gz UMEXUNASVRWSQE-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN COC(=O)[C@@H](C)CN(Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000127563848 431974664 /nfs/dbraw/zinc/97/46/64/431974664.db2.gz HALDAWFTGODBEN-AWEZNQCLSA-N 0 3 314.429 3.261 20 30 DGEDHN CC(C)NC(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000049459038 431940101 /nfs/dbraw/zinc/94/01/01/431940101.db2.gz YDXQPVOOZZHULQ-OAHLLOKOSA-N 0 3 322.368 3.102 20 30 DGEDHN N#Cc1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)s1 ZINC000126174796 431944838 /nfs/dbraw/zinc/94/48/38/431944838.db2.gz PJUCFEWINRLISC-GOSISDBHSA-N 0 3 312.438 3.492 20 30 DGEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)C1CCCCC1 ZINC000128071444 431987219 /nfs/dbraw/zinc/98/72/19/431987219.db2.gz OGLLEPISXNSTCC-UHFFFAOYSA-N 0 3 303.406 3.361 20 30 DGEDHN Cn1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1C#N ZINC000191475953 432269710 /nfs/dbraw/zinc/26/97/10/432269710.db2.gz YKNNMJJIRIWJMM-DNVCBOLYSA-N 0 3 309.413 3.154 20 30 DGEDHN COc1ccc(CN[C@@H](C)C[C@@H](O)c2ccccc2)cc1C#N ZINC000270702812 432279686 /nfs/dbraw/zinc/27/96/86/432279686.db2.gz YNQUEFHCQXYNAZ-KBXCAEBGSA-N 0 3 310.397 3.169 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)s1 ZINC000248397497 432285301 /nfs/dbraw/zinc/28/53/01/432285301.db2.gz RWFVXLFLWNKIOA-KBXCAEBGSA-N 0 3 311.454 3.230 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1cc(C#N)cs1 ZINC000248399843 432285379 /nfs/dbraw/zinc/28/53/79/432285379.db2.gz WHGCXDCIQKTTOK-KBXCAEBGSA-N 0 3 311.454 3.230 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c(C#N)c1C ZINC000248558909 432301659 /nfs/dbraw/zinc/30/16/59/432301659.db2.gz LZFMHLFEYUVJIY-FIXISWKDSA-N 0 3 303.406 3.121 20 30 DGEDHN N#CCCCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401436 431993618 /nfs/dbraw/zinc/99/36/18/431993618.db2.gz VLGSMLHPAWYOEI-AWEZNQCLSA-N 0 3 314.364 3.359 20 30 DGEDHN N#CCCCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400972 431994218 /nfs/dbraw/zinc/99/42/18/431994218.db2.gz OQAKIXTWXLVCJW-AWEZNQCLSA-N 0 3 314.364 3.359 20 30 DGEDHN C#CCCN(Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000270601426 432263733 /nfs/dbraw/zinc/26/37/33/432263733.db2.gz LVLAEFWHJADBOB-UHFFFAOYSA-N 0 3 305.418 3.336 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000249285471 432342871 /nfs/dbraw/zinc/34/28/71/432342871.db2.gz SCRZIWBPCDNLSU-QYZOEREBSA-N 0 3 312.457 3.432 20 30 DGEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000271432582 432393902 /nfs/dbraw/zinc/39/39/02/432393902.db2.gz BKGBKSVBFOYORQ-KUHUBIRLSA-N 0 3 310.397 3.433 20 30 DGEDHN COc1cc(CNCc2ccc(C#N)cc2)c2ccccc2n1 ZINC000174582465 432359065 /nfs/dbraw/zinc/35/90/65/432359065.db2.gz ANOBGEGFCHRKNT-UHFFFAOYSA-N 0 3 303.365 3.405 20 30 DGEDHN C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(OCC#N)cc1 ZINC000192933621 432431154 /nfs/dbraw/zinc/43/11/54/432431154.db2.gz IJIPERCKFOVXHB-PBHICJAKSA-N 0 3 313.401 3.135 20 30 DGEDHN C=CCOc1ccc(CNCC2([C@H](O)C(C)C)CC2)cc1OC ZINC000272074467 432439880 /nfs/dbraw/zinc/43/98/80/432439880.db2.gz QASWYMXEJQBURO-GOSISDBHSA-N 0 3 319.445 3.147 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000193021821 432440217 /nfs/dbraw/zinc/44/02/17/432440217.db2.gz APKDZAGGXCKWRB-WCQYABFASA-N 0 3 313.323 3.151 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(NC(N)=O)cc1 ZINC000193024999 432440683 /nfs/dbraw/zinc/44/06/83/432440683.db2.gz HVAPIQGOQUEZQJ-OLZOCXBDSA-N 0 3 308.385 3.461 20 30 DGEDHN CCN(CC(C)C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000153777795 432441237 /nfs/dbraw/zinc/44/12/37/432441237.db2.gz SEUFHCRPFZHZIM-MRXNPFEDSA-N 0 3 301.434 3.300 20 30 DGEDHN N#CCSCCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193157099 432453468 /nfs/dbraw/zinc/45/34/68/432453468.db2.gz PUORMTWMDQSSKL-UHFFFAOYSA-N 0 3 324.877 3.270 20 30 DGEDHN CCCN(CCO[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000185182417 432475233 /nfs/dbraw/zinc/47/52/33/432475233.db2.gz GGOCDQVGGMOGNT-SFHVURJKSA-N 0 3 302.418 3.313 20 30 DGEDHN CCC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000193632046 432487040 /nfs/dbraw/zinc/48/70/40/432487040.db2.gz WMWSQIRWFODVCD-KRWDZBQOSA-N 0 3 313.445 3.460 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185334797 432490508 /nfs/dbraw/zinc/49/05/08/432490508.db2.gz IDQKCXUHVVTUBS-GOSISDBHSA-N 0 3 300.446 3.370 20 30 DGEDHN COc1cc(CNCCCC#N)ccc1OCc1ccncc1 ZINC000273110627 432553837 /nfs/dbraw/zinc/55/38/37/432553837.db2.gz XMGRWUIQDHRUHA-UHFFFAOYSA-N 0 3 311.385 3.063 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)cc1 ZINC000194552046 432559948 /nfs/dbraw/zinc/55/99/48/432559948.db2.gz HBPZVKOFQWJPES-IBGZPJMESA-N 0 3 305.381 3.238 20 30 DGEDHN C[C@H](NCCCC#N)c1ccc(I)cc1 ZINC000273189072 432563134 /nfs/dbraw/zinc/56/31/34/432563134.db2.gz GPCKCDCAWNZOCP-JTQLQIEISA-N 0 3 314.170 3.246 20 30 DGEDHN C[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)N(C)C ZINC000272519933 432517116 /nfs/dbraw/zinc/51/71/16/432517116.db2.gz LDMZXIRVYGHWQM-CQSZACIVSA-N 0 3 323.396 3.030 20 30 DGEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000272548156 432521195 /nfs/dbraw/zinc/52/11/95/432521195.db2.gz KKHCOXJSZGMKFJ-UHFFFAOYSA-N 0 3 305.809 3.294 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000176499720 432529780 /nfs/dbraw/zinc/52/97/80/432529780.db2.gz PCJWSFZZUPMMHF-HOTGVXAUSA-N 0 3 307.482 3.247 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCCOc2cccc(Br)c2)C1 ZINC000185793555 432533479 /nfs/dbraw/zinc/53/34/79/432533479.db2.gz RJLDTIKUVYRJOZ-GXTWGEPZSA-N 0 3 323.234 3.500 20 30 DGEDHN COc1ccc([C@H]2CCN(CCOc3cccc(C#N)c3)C2)cc1 ZINC000155199313 432544082 /nfs/dbraw/zinc/54/40/82/432544082.db2.gz FMLNWBWVKSBUQZ-SFHVURJKSA-N 0 3 322.408 3.435 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000186252024 432575126 /nfs/dbraw/zinc/57/51/26/432575126.db2.gz OHWRHETYLBWXPB-INIZCTEOSA-N 0 3 300.402 3.030 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000194872550 432582589 /nfs/dbraw/zinc/58/25/89/432582589.db2.gz NFMAZMGZZLJKFW-GOSISDBHSA-N 0 3 318.392 3.109 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CC(C)C)C2)CC1 ZINC000177247939 432603501 /nfs/dbraw/zinc/60/35/01/432603501.db2.gz KPBHFHRUZRSRGI-MRXNPFEDSA-N 0 3 307.482 3.105 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000273490413 432604835 /nfs/dbraw/zinc/60/48/35/432604835.db2.gz OCIHGAGOQXDFLY-AWEZNQCLSA-N 0 3 311.381 3.264 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC(C)(C(C)C)CC2)CC1 ZINC000186768213 432628467 /nfs/dbraw/zinc/62/84/67/432628467.db2.gz YORQXXCQXKETNZ-UHFFFAOYSA-N 0 3 307.482 3.105 20 30 DGEDHN CC#CCNC1(c2cccc(Br)c2)CCOCC1 ZINC000157781339 432629401 /nfs/dbraw/zinc/62/94/01/432629401.db2.gz CIPPITHNDDVTTE-UHFFFAOYSA-N 0 3 308.219 3.068 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000264350164 432637958 /nfs/dbraw/zinc/63/79/58/432637958.db2.gz LRIUPNZQDIFDDX-UHFFFAOYSA-N 0 3 321.852 3.132 20 30 DGEDHN CCC(CC)(CN[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)OC ZINC000274241539 432642988 /nfs/dbraw/zinc/64/29/88/432642988.db2.gz QTUPEIWAHRIANX-LBPRGKRZSA-N 0 3 306.381 3.327 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(CC)s2)CC1 ZINC000264413254 432644778 /nfs/dbraw/zinc/64/47/78/432644778.db2.gz UKGZIKFGYRRFSW-UHFFFAOYSA-N 0 3 321.490 3.150 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000264412011 432645316 /nfs/dbraw/zinc/64/53/16/432645316.db2.gz UARAMVBAZVQNAT-INIZCTEOSA-N 0 3 315.461 3.130 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CC)CC1 ZINC000264423888 432645601 /nfs/dbraw/zinc/64/56/01/432645601.db2.gz VFQLAUHZQFKMRP-UHFFFAOYSA-N 0 3 301.434 3.411 20 30 DGEDHN CCC1(CC)CN(C[C@@H](O)c2ccc(C#N)cc2)CCS1 ZINC000274323763 432650350 /nfs/dbraw/zinc/65/03/50/432650350.db2.gz PIJGZZWDCRNSLV-MRXNPFEDSA-N 0 3 304.459 3.199 20 30 DGEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1c(F)cccc1F ZINC000177702272 432652715 /nfs/dbraw/zinc/65/27/15/432652715.db2.gz GYZPKRLOMVKBCH-OAHLLOKOSA-N 0 3 321.396 3.290 20 30 DGEDHN N#CCCN(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000159687164 432692338 /nfs/dbraw/zinc/69/23/38/432692338.db2.gz UNEATFCHQCAKCH-WMZOPIPTSA-N 0 3 311.429 3.198 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC[C@H](C)CC(C)(C)C)CC1 ZINC000188093031 432703778 /nfs/dbraw/zinc/70/37/78/432703778.db2.gz CQYUXAWBLYAXPR-HNNXBMFYSA-N 0 3 309.498 3.398 20 30 DGEDHN COc1ccc([C@H](CNc2cccc(C#N)n2)N2CCCC2)cc1 ZINC000265512697 432705885 /nfs/dbraw/zinc/70/58/85/432705885.db2.gz KSCQJQCQZZWWSX-SFHVURJKSA-N 0 3 322.412 3.211 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000274827728 432713192 /nfs/dbraw/zinc/71/31/92/432713192.db2.gz ITNQONFSJJJASC-UHFFFAOYSA-N 0 3 324.424 3.419 20 30 DGEDHN CC[C@H](CNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000227717778 432714718 /nfs/dbraw/zinc/71/47/18/432714718.db2.gz GMRATUMGWPZVLU-LLVKDONJSA-N 0 3 309.435 3.013 20 30 DGEDHN CC[C@@H](CNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000227717774 432716059 /nfs/dbraw/zinc/71/60/59/432716059.db2.gz GMRATUMGWPZVLU-NSHDSACASA-N 0 3 309.435 3.013 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000188289867 432716572 /nfs/dbraw/zinc/71/65/72/432716572.db2.gz RWGWUQZVUJEWOK-DNVCBOLYSA-N 0 3 314.429 3.368 20 30 DGEDHN CC(C)[C@H](CNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000224162441 432681969 /nfs/dbraw/zinc/68/19/69/432681969.db2.gz NWYSDFYLSRGFQR-AWEZNQCLSA-N 0 3 323.462 3.259 20 30 DGEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc(OC)c1OC ZINC000274586239 432685135 /nfs/dbraw/zinc/68/51/35/432685135.db2.gz DINIQPBHBNBPJR-SGMGOOAPSA-N 0 3 304.390 3.055 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000189215524 432770738 /nfs/dbraw/zinc/77/07/38/432770738.db2.gz PWAGSBNCWUIDCA-VDZJLULYSA-N 0 3 300.446 3.225 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncccc1C#N ZINC000267214855 432823267 /nfs/dbraw/zinc/82/32/67/432823267.db2.gz MNTWLFFUGLSPNT-MAUKXSAKSA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@H](NCCOCC(F)(F)C(F)(F)F)c1ccc(C#N)cc1 ZINC000276235557 432786311 /nfs/dbraw/zinc/78/63/11/432786311.db2.gz NUWKIAMHVZCBKH-JTQLQIEISA-N 0 3 322.277 3.423 20 30 DGEDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000189485713 432791493 /nfs/dbraw/zinc/79/14/93/432791493.db2.gz WCFLDZBJPDUIRG-STQMWFEESA-N 0 3 323.487 3.212 20 30 DGEDHN Cc1ccc(C#N)c(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)n1 ZINC000161821236 432800149 /nfs/dbraw/zinc/80/01/49/432800149.db2.gz ZRJNVDFNHSYIKZ-YJBOKZPZSA-N 0 3 306.413 3.337 20 30 DGEDHN C[C@H](CCC#N)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000276364536 432800931 /nfs/dbraw/zinc/80/09/31/432800931.db2.gz ZOKGTISHZLTYLS-CYBMUJFWSA-N 0 3 303.381 3.168 20 30 DGEDHN C#CCOc1ccc(CNCc2ccnc(SCC)c2)cc1 ZINC000189594263 432801889 /nfs/dbraw/zinc/80/18/89/432801889.db2.gz IJCCHXCFIQAOEG-UHFFFAOYSA-N 0 3 312.438 3.495 20 30 DGEDHN C=CCC[C@@H](NCCc1nnc2n1CCCCC2)c1ccco1 ZINC000276454691 432809418 /nfs/dbraw/zinc/80/94/18/432809418.db2.gz MXCNVFFWORTYDE-OAHLLOKOSA-N 0 3 314.433 3.437 20 30 DGEDHN C#CCCOc1ccc(CNC[C@@H](O)c2ccc(F)cc2)cc1 ZINC000277647376 432866859 /nfs/dbraw/zinc/86/68/59/432866859.db2.gz FCJLEYLVGMXHSR-LJQANCHMSA-N 0 3 313.372 3.051 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246056902 432874931 /nfs/dbraw/zinc/87/49/31/432874931.db2.gz YSMXTILUBPZMMZ-GDBMZVCRSA-N 0 3 321.490 3.349 20 30 DGEDHN Cc1nc(CC2CC2)oc1C(=O)NCCN1CCCCCC1 ZINC000330018247 432888442 /nfs/dbraw/zinc/88/84/42/432888442.db2.gz SMKIDVBLOQFYCM-UHFFFAOYSA-N 0 3 305.422 3.116 20 30 DGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)C#N ZINC000278386039 432891749 /nfs/dbraw/zinc/89/17/49/432891749.db2.gz RJILWJXLVFCKNV-UHFFFAOYSA-N 0 3 321.852 3.170 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCc2c[nH]nc21)N1CCCCC1 ZINC000330163616 432895219 /nfs/dbraw/zinc/89/52/19/432895219.db2.gz VGPVAIXSNBHUGU-GDBMZVCRSA-N 0 3 304.438 3.254 20 30 DGEDHN CC[C@H](C)CN(CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000245728114 432858926 /nfs/dbraw/zinc/85/89/26/432858926.db2.gz BWHJPWBUHDUUQP-JSGCOSHPSA-N 0 3 305.447 3.093 20 30 DGEDHN C[C@@H]1CCN(C(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000279248490 432949437 /nfs/dbraw/zinc/94/94/37/432949437.db2.gz KYYVLXDYLXIQMZ-MRXNPFEDSA-N 0 3 313.445 3.049 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000278600694 432897564 /nfs/dbraw/zinc/89/75/64/432897564.db2.gz LWASGXAIANAFBT-UKPHBRMFSA-N 0 3 300.377 3.413 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000278600689 432898369 /nfs/dbraw/zinc/89/83/69/432898369.db2.gz LWASGXAIANAFBT-FRFSOERESA-N 0 3 300.377 3.413 20 30 DGEDHN C[S@@](=O)C[C@H](NCCCCC(C)(C)C#N)c1ccccc1 ZINC000278757867 432900543 /nfs/dbraw/zinc/90/05/43/432900543.db2.gz MMTMNMMQNWBDCX-HRAATJIYSA-N 0 3 306.475 3.416 20 30 DGEDHN CCc1noc(C)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000330403333 432907437 /nfs/dbraw/zinc/90/74/37/432907437.db2.gz VVNSFSOWXLHVRT-JHJVBQTASA-N 0 3 307.438 3.216 20 30 DGEDHN Cc1coc(C)c1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000330462521 432911385 /nfs/dbraw/zinc/91/13/85/432911385.db2.gz BMFUIIGAYZEEKH-UHFFFAOYSA-N 0 3 308.422 3.090 20 30 DGEDHN COCCOCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000289037591 432915311 /nfs/dbraw/zinc/91/53/11/432915311.db2.gz PLUXQRIUVXDAQG-UHFFFAOYSA-N 0 3 324.424 3.320 20 30 DGEDHN COCCOCc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000289060998 432918031 /nfs/dbraw/zinc/91/80/31/432918031.db2.gz JCIMXSGEDAWLHR-UHFFFAOYSA-N 0 3 324.424 3.353 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccc(COC(C)C)cc2)CC1 ZINC000330617400 432919964 /nfs/dbraw/zinc/91/99/64/432919964.db2.gz XASJSASGRAQBSA-UHFFFAOYSA-N 0 3 319.449 3.422 20 30 DGEDHN CC1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279444293 432969572 /nfs/dbraw/zinc/96/95/72/432969572.db2.gz YWHKYAKJZPCRNJ-UYJHFMRCSA-N 0 3 309.413 3.183 20 30 DGEDHN CCN(Cc1ccncc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000289652442 432970752 /nfs/dbraw/zinc/97/07/52/432970752.db2.gz CGSRVYVNQXDTTC-UHFFFAOYSA-N 0 3 308.429 3.454 20 30 DGEDHN CC1=CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279462183 432972321 /nfs/dbraw/zinc/97/23/21/432972321.db2.gz UOUZORNHQSNIRB-UHFFFAOYSA-N 0 3 307.401 3.011 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ncsc2C(C)C)CC1 ZINC000289943893 432980345 /nfs/dbraw/zinc/98/03/45/432980345.db2.gz SSZUYYANLKDLLE-UHFFFAOYSA-N 0 3 308.451 3.038 20 30 DGEDHN C=C[C@@H](CO)N[C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000289995599 432982415 /nfs/dbraw/zinc/98/24/15/432982415.db2.gz YTGMGEHBJPCNSE-PWSUYJOCSA-N 0 3 306.406 3.455 20 30 DGEDHN CN(C)C[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000290063911 432986317 /nfs/dbraw/zinc/98/63/17/432986317.db2.gz HMWHENADVFKHCI-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCNC(=O)OC(C)(C)C ZINC000297304106 432990186 /nfs/dbraw/zinc/99/01/86/432990186.db2.gz BJRCHTIAPYWDQR-CYBMUJFWSA-N 0 3 303.406 3.076 20 30 DGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000279707542 432991354 /nfs/dbraw/zinc/99/13/54/432991354.db2.gz KPHMNKXXGIVBGD-DTDBQYNISA-N 0 3 309.413 3.181 20 30 DGEDHN Cc1ccccc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279770601 432992452 /nfs/dbraw/zinc/99/24/52/432992452.db2.gz SRCPXZVIFFRNPX-QAPCUYQASA-N 0 3 317.392 3.426 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000297591164 432999506 /nfs/dbraw/zinc/99/95/06/432999506.db2.gz FKFXSHRBXNGWRA-DOTOQJQBSA-N 0 3 300.446 3.225 20 30 DGEDHN N#CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289404130 432955397 /nfs/dbraw/zinc/95/53/97/432955397.db2.gz AISCTYDCOSBVTR-ZWKOTPCHSA-N 0 3 312.413 3.122 20 30 DGEDHN C[C@@H]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279364915 432960396 /nfs/dbraw/zinc/96/03/96/432960396.db2.gz RHJPQBRUVIUUOB-ZTFGCOKTSA-N 0 3 309.413 3.183 20 30 DGEDHN C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@H]1C ZINC000349874589 433027491 /nfs/dbraw/zinc/02/74/91/433027491.db2.gz MMPIVWXAQZAPLT-OLZOCXBDSA-N 0 3 319.836 3.204 20 30 DGEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280283717 433029212 /nfs/dbraw/zinc/02/92/12/433029212.db2.gz MXSGNDXRZMFVDB-OAHLLOKOSA-N 0 3 313.445 3.092 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1Cc2ccccc2[C@H]1O ZINC000298246300 433066897 /nfs/dbraw/zinc/06/68/97/433066897.db2.gz SUHYYOGRARQFJN-VQTJNVASSA-N 0 3 304.393 3.205 20 30 DGEDHN N#Cc1cccc(CCNCc2cnn(Cc3ccccc3)c2)c1 ZINC000341462512 433071471 /nfs/dbraw/zinc/07/14/71/433071471.db2.gz OQWCPGYMNVJFCI-UHFFFAOYSA-N 0 3 316.408 3.135 20 30 DGEDHN CC[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280567261 433089874 /nfs/dbraw/zinc/08/98/74/433089874.db2.gz VHPNHKBGGLACIH-JLSDUUJJSA-N 0 3 309.413 3.326 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000453361750 433121327 /nfs/dbraw/zinc/12/13/27/433121327.db2.gz PJCXZULXGFYRLR-RDBSUJKOSA-N 0 3 319.401 3.075 20 30 DGEDHN CCCCCCCCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373303820 433150253 /nfs/dbraw/zinc/15/02/53/433150253.db2.gz ZYEMURPMGMVKAK-QGZVFWFLSA-N 0 3 324.509 3.449 20 30 DGEDHN C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000425120821 433101775 /nfs/dbraw/zinc/10/17/75/433101775.db2.gz BDUQKPGKBZVGRU-QKPAOTATSA-N 0 3 313.445 3.339 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2cc(Br)ccc21 ZINC000453356719 433117136 /nfs/dbraw/zinc/11/71/36/433117136.db2.gz MIOCBNIRZNDFRY-ZNMIVQPWSA-N 0 3 308.219 3.370 20 30 DGEDHN N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000425200735 433121066 /nfs/dbraw/zinc/12/10/66/433121066.db2.gz LPYNDEARWGGOGS-INIZCTEOSA-N 0 3 322.368 3.153 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@]3(CCCc4ccccc43)C2)C1=O ZINC000337184459 433207873 /nfs/dbraw/zinc/20/78/73/433207873.db2.gz NVJGHJKWHJFUJF-CTNGQTDRSA-N 0 3 324.468 3.143 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc([C@@H]2CCCO2)s1 ZINC000280745627 433159415 /nfs/dbraw/zinc/15/94/15/433159415.db2.gz XLDKFRCNOIGRME-SNPRPXQTSA-N 0 3 308.447 3.065 20 30 DGEDHN N#CCCCCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000373853177 433165280 /nfs/dbraw/zinc/16/52/80/433165280.db2.gz DJSOUVLOXRQUAI-UHFFFAOYSA-N 0 3 320.481 3.026 20 30 DGEDHN C=CCN(CCC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412358997 433167563 /nfs/dbraw/zinc/16/75/63/433167563.db2.gz QDRMDKJMBFMSJP-UHFFFAOYSA-N 0 3 311.429 3.214 20 30 DGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(N2CCOCC2)c1 ZINC000361431992 433171347 /nfs/dbraw/zinc/17/13/47/433171347.db2.gz HZJZSLSUTWIVBO-WMZOPIPTSA-N 0 3 313.445 3.004 20 30 DGEDHN CCOc1c(OC)cc(CN[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000361466095 433188596 /nfs/dbraw/zinc/18/85/96/433188596.db2.gz YXAMPHQXIXZWGE-HIFRSBDPSA-N 0 3 318.417 3.274 20 30 DGEDHN C=CCOc1cccc(CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291020420 433214582 /nfs/dbraw/zinc/21/45/82/433214582.db2.gz AGDRYLRTAYFCCB-OAQYLSRUSA-N 0 3 323.436 3.387 20 30 DGEDHN COC(=O)[C@H](CCN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000425387615 433215365 /nfs/dbraw/zinc/21/53/65/433215365.db2.gz VBWISLPKWZIXCL-LJQANCHMSA-N 0 3 322.408 3.337 20 30 DGEDHN CC[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000447535681 433218213 /nfs/dbraw/zinc/21/82/13/433218213.db2.gz HRQSKYFYAKKNKP-KRWDZBQOSA-N 0 3 308.385 3.290 20 30 DGEDHN CC(C#N)C(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000412469950 433222282 /nfs/dbraw/zinc/22/22/82/433222282.db2.gz XWXDVXQCMWDMSL-INIZCTEOSA-N 0 3 304.393 3.169 20 30 DGEDHN CC[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447563662 433224850 /nfs/dbraw/zinc/22/48/50/433224850.db2.gz RJMJMCJNPGCASZ-IEBWSBKVSA-N 0 3 319.408 3.404 20 30 DGEDHN CN(C[C@H]1CCCN1C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000420628942 433232141 /nfs/dbraw/zinc/23/21/41/433232141.db2.gz BPSIHGFOKOMEMV-CQSZACIVSA-N 0 3 314.820 3.290 20 30 DGEDHN C#CC[C@H](NCCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000298760347 433240447 /nfs/dbraw/zinc/24/04/47/433240447.db2.gz CSTDNHTVWAVGBX-IBGZPJMESA-N 0 3 306.409 3.394 20 30 DGEDHN COc1cc(OC)cc(OCCCN(C)[C@H](C)CCC#N)c1 ZINC000298800498 433248586 /nfs/dbraw/zinc/24/85/86/433248586.db2.gz YYNDXXAGNCXJLS-CQSZACIVSA-N 0 3 306.406 3.097 20 30 DGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)N(C)C ZINC000298827016 433256553 /nfs/dbraw/zinc/25/65/53/433256553.db2.gz HCYIYANMUAFKPK-NWDGAFQWSA-N 0 3 314.216 3.014 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)OCCO2 ZINC000341762977 433258325 /nfs/dbraw/zinc/25/83/25/433258325.db2.gz WSPFBVZMTJVVLA-GOSISDBHSA-N 0 3 320.392 3.497 20 30 DGEDHN CC(C(=O)Nc1cc(C#N)ccc1OC(F)F)C(F)(F)F ZINC000361616714 433291954 /nfs/dbraw/zinc/29/19/54/433291954.db2.gz OUQNDNPLCLMSGZ-LURJTMIESA-N 0 3 308.206 3.297 20 30 DGEDHN Cc1cccc(OC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425548251 433293814 /nfs/dbraw/zinc/29/38/14/433293814.db2.gz YFYHJEKVBGHULD-LPHOPBHVSA-N 0 3 324.424 3.299 20 30 DGEDHN CC[C@@H]1[C@@H](C)CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883720 433311603 /nfs/dbraw/zinc/31/16/03/433311603.db2.gz USNSVSQSHVJWDC-BMGDILEWSA-N 0 3 311.429 3.174 20 30 DGEDHN C=C(C)[C@@H](NCCCC(=O)NCCC)c1ccc(F)c(F)c1 ZINC000299184437 433347243 /nfs/dbraw/zinc/34/72/43/433347243.db2.gz BLMDJRNNJUASSQ-QGZVFWFLSA-N 0 3 310.388 3.478 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccncc1 ZINC000299695241 433377905 /nfs/dbraw/zinc/37/79/05/433377905.db2.gz OFYTUSZGFDMWGD-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN Cc1nnc(SC[C@@H]2CCCCN2C(C)C)c(C#N)c1C ZINC000339115959 433370092 /nfs/dbraw/zinc/37/00/92/433370092.db2.gz VZZZWKQBJNAWCT-AWEZNQCLSA-N 0 3 304.463 3.320 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@]2(C)Cc2ccc(F)cc2)C1=O ZINC000420934408 433330976 /nfs/dbraw/zinc/33/09/76/433330976.db2.gz XHXSTDRWEYUVRF-PKOBYXMFSA-N 0 3 316.420 3.010 20 30 DGEDHN N#Cc1c(CN2CCN(C3CCCCC3)CC2)cn2ccccc12 ZINC000361674052 433331721 /nfs/dbraw/zinc/33/17/21/433331721.db2.gz BMTYKHZIDHJEGF-UHFFFAOYSA-N 0 3 322.456 3.261 20 30 DGEDHN COc1cc(CN[C@H](C)C[C@H](O)c2cccs2)ccc1C#N ZINC000281816435 433392982 /nfs/dbraw/zinc/39/29/82/433392982.db2.gz WNFWGEIPTUUWTO-DOMZBBRYSA-N 0 3 316.426 3.230 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000454373737 433397025 /nfs/dbraw/zinc/39/70/25/433397025.db2.gz RJUBWHLQRMWBEX-NVXWUHKLSA-N 0 3 315.461 3.333 20 30 DGEDHN C=CCOc1ccc(CN2CCCC[C@@H]2C[C@H](C)O)cc1OC ZINC000448364874 433397203 /nfs/dbraw/zinc/39/72/03/433397203.db2.gz HAPVVTNOKWUSCA-DOTOQJQBSA-N 0 3 319.445 3.385 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000454380448 433399029 /nfs/dbraw/zinc/39/90/29/433399029.db2.gz UUNWKXSCYGGPTK-RDJZCZTQSA-N 0 3 301.434 3.087 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000375297185 433416719 /nfs/dbraw/zinc/41/67/19/433416719.db2.gz IIBQTQNHCZCATD-BEFAXECRSA-N 0 3 314.429 3.368 20 30 DGEDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000291987975 433421117 /nfs/dbraw/zinc/42/11/17/433421117.db2.gz UKBFBTNDRNJDEW-CZUORRHYSA-N 0 3 323.371 3.153 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC2(C)C)CC1 ZINC000454455383 433434497 /nfs/dbraw/zinc/43/44/97/433434497.db2.gz BTUZYWBQOBBCLW-HNNXBMFYSA-N 0 3 307.482 3.152 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)OCC ZINC000339214290 433441660 /nfs/dbraw/zinc/44/16/60/433441660.db2.gz DLAVYETYYWQOFH-DAWZGUTISA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000454537442 433469579 /nfs/dbraw/zinc/46/95/79/433469579.db2.gz HAOAUEOSELLZGO-HRCADAONSA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@H](c1ccccc1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279751815 290252644 /nfs/dbraw/zinc/25/26/44/290252644.db2.gz QHMBDHRCFIBQIW-DNVCBOLYSA-N 0 3 317.392 3.460 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000454556951 433480633 /nfs/dbraw/zinc/48/06/33/433480633.db2.gz ZOROEJPRBWMJEC-HNNXBMFYSA-N 0 3 307.482 3.105 20 30 DGEDHN CC[C@H](COCC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000421385203 433526805 /nfs/dbraw/zinc/52/68/05/433526805.db2.gz PYNPPBFLJXJUFG-GFCCVEGCSA-N 0 3 304.287 3.144 20 30 DGEDHN C[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000414304337 433528272 /nfs/dbraw/zinc/52/82/72/433528272.db2.gz XTXXKODGOYTXKU-LRDDRELGSA-N 0 3 316.351 3.263 20 30 DGEDHN C=CCc1cc(CN2CCC[C@H](CCO)CC2)cc(OC)c1O ZINC000421391276 433536263 /nfs/dbraw/zinc/53/62/63/433536263.db2.gz AFRABQUMNCYCHU-HNNXBMFYSA-N 0 3 319.445 3.114 20 30 DGEDHN Cc1cc(C)c(C#N)c(NCCN(C)Cc2ccc(F)cc2)n1 ZINC000362129767 433536727 /nfs/dbraw/zinc/53/67/27/433536727.db2.gz NMCXMCPNKQJWOY-UHFFFAOYSA-N 0 3 312.392 3.253 20 30 DGEDHN C=C(C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000455308553 433539459 /nfs/dbraw/zinc/53/94/59/433539459.db2.gz JOTMMZFCWSMYCL-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000421346199 433488012 /nfs/dbraw/zinc/48/80/12/433488012.db2.gz YOEFCZMZYQYKPP-OAHLLOKOSA-N 0 3 303.406 3.151 20 30 DGEDHN CC(C)c1nnc(CCNCc2ccc(C#N)c(F)c2)s1 ZINC000421357524 433498565 /nfs/dbraw/zinc/49/85/65/433498565.db2.gz OQDMKPWEEUWYCE-UHFFFAOYSA-N 0 3 304.394 3.005 20 30 DGEDHN C[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000414281106 433509869 /nfs/dbraw/zinc/50/98/69/433509869.db2.gz ARKLEDKVRRCSET-DOMZBBRYSA-N 0 3 316.351 3.263 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](OC)C[C@H]2C)cc(OC)c1O ZINC000282302191 433560469 /nfs/dbraw/zinc/56/04/69/433560469.db2.gz MMCNMKVIYGYUFO-CJNGLKHVSA-N 0 3 305.418 3.129 20 30 DGEDHN CCN(Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1)C1CC1 ZINC000362172672 433560970 /nfs/dbraw/zinc/56/09/70/433560970.db2.gz FVWWPGSAGFADBB-LJQANCHMSA-N 0 3 311.429 3.093 20 30 DGEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000448845414 433579943 /nfs/dbraw/zinc/57/99/43/433579943.db2.gz PVJAYJUWIQUXJZ-VQIMIIECSA-N 0 3 317.477 3.231 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C1 ZINC000282259365 433545760 /nfs/dbraw/zinc/54/57/60/433545760.db2.gz CPWXRCSWOPHWRT-QRQLOZEOSA-N 0 3 321.424 3.262 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1OC)[C@@H]1CC[C@H](C)C1 ZINC000362146626 433546494 /nfs/dbraw/zinc/54/64/94/433546494.db2.gz BVEJUKOXHIUZAB-WMLDXEAASA-N 0 3 302.418 3.204 20 30 DGEDHN C=CCN1CCC(Nc2cncc(-c3cccs3)n2)CC1 ZINC000293172483 433642610 /nfs/dbraw/zinc/64/26/10/433642610.db2.gz VGOMIJRNQHDWCA-UHFFFAOYSA-N 0 3 300.431 3.267 20 30 DGEDHN CCc1nnc(N[C@H](C)CN2CCC[C@@H](C)C2)c(C#N)c1CC ZINC000301622995 433646917 /nfs/dbraw/zinc/64/69/17/433646917.db2.gz OHYSMLBJEDMDEQ-ZIAGYGMSSA-N 0 3 315.465 3.005 20 30 DGEDHN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC000426793254 433599964 /nfs/dbraw/zinc/59/99/64/433599964.db2.gz MQMMJIPVMNXIBI-OKILXGFUSA-N 0 3 317.820 3.272 20 30 DGEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C(C)C ZINC000456357432 433615330 /nfs/dbraw/zinc/61/53/30/433615330.db2.gz XXLFIGZZIKHHDH-CEXWTWQISA-N 0 3 323.440 3.380 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282611567 433617158 /nfs/dbraw/zinc/61/71/58/433617158.db2.gz CAYGHOSQWDYULP-SFHVURJKSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCCCCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282761675 433625551 /nfs/dbraw/zinc/62/55/51/433625551.db2.gz CCMMIMSBONEQJH-MRXNPFEDSA-N 0 3 306.837 3.253 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000362372301 433667176 /nfs/dbraw/zinc/66/71/76/433667176.db2.gz WJWSOPRRHNUDOY-WMZOPIPTSA-N 0 3 315.461 3.333 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCCC2(C1)CCCCCC2 ZINC000362382795 433669260 /nfs/dbraw/zinc/66/92/60/433669260.db2.gz CIAVTVLRLUJTFL-UHFFFAOYSA-N 0 3 305.466 3.185 20 30 DGEDHN Cn1cc(CNCC2(c3c(F)cccc3F)CCC2)cc1C#N ZINC000414508216 433672870 /nfs/dbraw/zinc/67/28/70/433672870.db2.gz QKUOGIUAMNIUIH-UHFFFAOYSA-N 0 3 315.367 3.386 20 30 DGEDHN COc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cc1C#N ZINC000376149730 433679604 /nfs/dbraw/zinc/67/96/04/433679604.db2.gz MIDYOOOCBRVIGS-NVXWUHKLSA-N 0 3 314.429 3.205 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN1CCC(C)CC1 ZINC000362387764 433680603 /nfs/dbraw/zinc/68/06/03/433680603.db2.gz ADVBZXXQIAXGNP-UHFFFAOYSA-N 0 3 318.486 3.426 20 30 DGEDHN CCOC(=O)CCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362425833 433709854 /nfs/dbraw/zinc/70/98/54/433709854.db2.gz WOEXNMQJUVKTEE-UHFFFAOYSA-N 0 3 312.413 3.381 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000427518693 433720501 /nfs/dbraw/zinc/72/05/01/433720501.db2.gz HWRYXNATAPKBNZ-NJAFHUGGSA-N 0 3 300.446 3.335 20 30 DGEDHN CC(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000362550780 433754108 /nfs/dbraw/zinc/75/41/08/433754108.db2.gz NUQYCDBYCTYIKP-ZCFIWIBFSA-N 0 3 323.126 3.371 20 30 DGEDHN N#Cc1cccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000351912938 433784369 /nfs/dbraw/zinc/78/43/69/433784369.db2.gz NGLNPMJLDHTGAP-FQEVSTJZSA-N 0 3 322.408 3.228 20 30 DGEDHN CCC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1CCOC ZINC000301916409 433791547 /nfs/dbraw/zinc/79/15/47/433791547.db2.gz JBOFRJYPXYTUCJ-INIZCTEOSA-N 0 3 321.852 3.149 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC2(CCCCC2)C1 ZINC000430760818 433798242 /nfs/dbraw/zinc/79/82/42/433798242.db2.gz SXJQWKPHJZZQJG-MRXNPFEDSA-N 0 3 322.518 3.327 20 30 DGEDHN Cc1c(Cl)cnc(N(CCN(C)C)C2CCCC2)c1C#N ZINC000339968126 433874774 /nfs/dbraw/zinc/87/47/74/433874774.db2.gz RKBZBKGSODTHMF-UHFFFAOYSA-N 0 3 306.841 3.226 20 30 DGEDHN C=CCCCCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000377047003 433846650 /nfs/dbraw/zinc/84/66/50/433846650.db2.gz OIVYCOFSEKUNQV-UHFFFAOYSA-N 0 3 307.482 3.393 20 30 DGEDHN Cc1ccc([C@@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000302909878 433903856 /nfs/dbraw/zinc/90/38/56/433903856.db2.gz YUCRVALGEJMGSK-GOSISDBHSA-N 0 3 304.397 3.453 20 30 DGEDHN N#CCOc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000284907627 433906479 /nfs/dbraw/zinc/90/64/79/433906479.db2.gz CMZXFDRFTMCUON-IBGZPJMESA-N 0 3 308.381 3.462 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000285212611 433923167 /nfs/dbraw/zinc/92/31/67/433923167.db2.gz PGRHNTJUSAJHTC-PBHICJAKSA-N 0 3 319.474 3.016 20 30 DGEDHN COc1ccccc1COC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293917089 433925710 /nfs/dbraw/zinc/92/57/10/433925710.db2.gz XMKCFDSQQLTOKV-WBVHZDCISA-N 0 3 314.429 3.368 20 30 DGEDHN CC(C)CC[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000362959522 433929325 /nfs/dbraw/zinc/92/93/25/433929325.db2.gz AJRMGCFATKTXIE-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000357168625 433889477 /nfs/dbraw/zinc/88/94/77/433889477.db2.gz KXWHZXGGGYCJCS-UHFFFAOYSA-N 0 3 324.380 3.188 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436141911 433890175 /nfs/dbraw/zinc/89/01/75/433890175.db2.gz YBJYNZZDRYNYFO-XJKSGUPXSA-N 0 3 323.396 3.025 20 30 DGEDHN COc1ccc(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)cc1C#N ZINC000340195976 433977824 /nfs/dbraw/zinc/97/78/24/433977824.db2.gz ILBSTQXXQOKHMR-FUHWJXTLSA-N 0 3 302.418 3.202 20 30 DGEDHN CC(C(=O)Nc1cccc(C#N)c1Br)C(F)(F)F ZINC000416077655 434007218 /nfs/dbraw/zinc/00/72/18/434007218.db2.gz JXFALTMAGLOKOF-ZCFIWIBFSA-N 0 3 321.096 3.458 20 30 DGEDHN C[C@]1(CCCO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000345962215 434026087 /nfs/dbraw/zinc/02/60/87/434026087.db2.gz RGMFCYDDWOMFFP-QGZVFWFLSA-N 0 3 324.371 3.287 20 30 DGEDHN CSc1ccc([C@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000294172693 434028711 /nfs/dbraw/zinc/02/87/11/434028711.db2.gz SBHFOLIMWOCXSM-INIZCTEOSA-N 0 3 312.442 3.390 20 30 DGEDHN CN(CC1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352417956 434044354 /nfs/dbraw/zinc/04/43/54/434044354.db2.gz WOFZTXBWTLXGJR-SFHVURJKSA-N 0 3 311.429 3.176 20 30 DGEDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(C#N)c1 ZINC000352549738 434045114 /nfs/dbraw/zinc/04/51/14/434045114.db2.gz GODCYBMDFCIOCA-UHFFFAOYSA-N 0 3 313.332 3.280 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)CCCCC1 ZINC000450266643 434068594 /nfs/dbraw/zinc/06/85/94/434068594.db2.gz SEAOXDIKCLQBPC-CABCVRRESA-N 0 3 310.507 3.017 20 30 DGEDHN COC[C@H](Cc1ccccc1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353277829 434073445 /nfs/dbraw/zinc/07/34/45/434073445.db2.gz VWOUWCSJTOOGKK-AZUAARDMSA-N 0 3 306.409 3.393 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294357888 434100337 /nfs/dbraw/zinc/10/03/37/434100337.db2.gz KIYPWGQWCSMIQV-KRWDZBQOSA-N 0 3 318.486 3.321 20 30 DGEDHN C=CCC1(C(=O)Nc2ccnc(OCCN(C)C)c2)CCCC1 ZINC000450299730 434090187 /nfs/dbraw/zinc/09/01/87/434090187.db2.gz QDMMCRHAOUYSMO-UHFFFAOYSA-N 0 3 317.433 3.097 20 30 DGEDHN C#CCCOc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000305184190 434059180 /nfs/dbraw/zinc/05/91/80/434059180.db2.gz SXDHVFAKKMEJER-OAQYLSRUSA-N 0 3 321.420 3.012 20 30 DGEDHN C#CCCOc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000305184189 434060351 /nfs/dbraw/zinc/06/03/51/434060351.db2.gz SXDHVFAKKMEJER-NRFANRHFSA-N 0 3 321.420 3.012 20 30 DGEDHN Cc1c(C#N)c(N2CC[C@H](N3CCCCC3)C2)nc2ccccc12 ZINC000450325060 434104930 /nfs/dbraw/zinc/10/49/30/434104930.db2.gz SIGBBLHXIXRNOD-INIZCTEOSA-N 0 3 320.440 3.480 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000294438783 434112522 /nfs/dbraw/zinc/11/25/22/434112522.db2.gz KPGNEGOLMRCPKH-UHFFFAOYSA-N 0 3 300.446 3.022 20 30 DGEDHN N#Cc1ccccc1OCCN1CC[C@@H](COc2ccccc2)C1 ZINC000505818251 294254925 /nfs/dbraw/zinc/25/49/25/294254925.db2.gz HXMCYVIZAUZBPO-QGZVFWFLSA-N 0 3 322.408 3.338 20 30 DGEDHN C=C(C)COc1cc(CN(C)CC(C)(C)CO)ccc1OC ZINC000294858200 434149249 /nfs/dbraw/zinc/14/92/49/434149249.db2.gz STTBEENHUCDSRS-UHFFFAOYSA-N 0 3 307.434 3.100 20 30 DGEDHN COc1ccc(CN2CCCCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000286049423 434150261 /nfs/dbraw/zinc/15/02/61/434150261.db2.gz RAWJFHJWGWBQIE-RHSMWYFYSA-N 0 3 302.418 3.082 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000457459726 434180497 /nfs/dbraw/zinc/18/04/97/434180497.db2.gz QKZRXSFMYLZSGN-AWEZNQCLSA-N 0 3 321.490 3.396 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCCC[C@H]1C[C@@H](C)O ZINC000286202875 434197637 /nfs/dbraw/zinc/19/76/37/434197637.db2.gz XZFDVJBJGWEPFA-PBHICJAKSA-N 0 3 302.418 3.082 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000457502948 434207534 /nfs/dbraw/zinc/20/75/34/434207534.db2.gz ZCPWLFHRDVREMR-CQSZACIVSA-N 0 3 307.463 3.150 20 30 DGEDHN CN(CCCN(C)Cc1ccc(F)cc1C#N)Cc1ccco1 ZINC000353546256 434216469 /nfs/dbraw/zinc/21/64/69/434216469.db2.gz VMBYJHYHYFQFGO-UHFFFAOYSA-N 0 3 315.392 3.244 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000346256252 434240673 /nfs/dbraw/zinc/24/06/73/434240673.db2.gz YCXGAIBMMJRGKI-LSDHHAIUSA-N 0 3 305.466 3.086 20 30 DGEDHN CCCN1CCC[C@H]1CNc1ncc(Br)cc1C#N ZINC000450535325 434248859 /nfs/dbraw/zinc/24/88/59/434248859.db2.gz MCPBIAYIVYGVMN-ZDUSSCGKSA-N 0 3 323.238 3.002 20 30 DGEDHN COc1ccc(CN2CCN(C)Cc3ccccc32)cc1C#N ZINC000353591689 434256312 /nfs/dbraw/zinc/25/63/12/434256312.db2.gz YCLGOCFUBMCCJE-UHFFFAOYSA-N 0 3 307.397 3.019 20 30 DGEDHN C=CCOc1cccc(CN2CCOC3(CCOCC3)CC2)c1 ZINC000364224357 434262193 /nfs/dbraw/zinc/26/21/93/434262193.db2.gz CWNMVWWCAAKGNW-UHFFFAOYSA-N 0 3 317.429 3.023 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347589509 434268558 /nfs/dbraw/zinc/26/85/58/434268558.db2.gz XVHUZPUROKPOPY-PMPSAXMXSA-N 0 3 307.482 3.141 20 30 DGEDHN C[C@@H]1CN(CCCSCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347571434 434269525 /nfs/dbraw/zinc/26/95/25/434269525.db2.gz RBZKMLDSUBPBRN-DLBZAZTESA-N 0 3 317.502 3.228 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000353562848 434228701 /nfs/dbraw/zinc/22/87/01/434228701.db2.gz RXOYLHSDZYACOJ-OAHLLOKOSA-N 0 3 318.396 3.083 20 30 DGEDHN N#Cc1cccnc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286452558 434275689 /nfs/dbraw/zinc/27/56/89/434275689.db2.gz UGOWNRCAVUKSGE-FQEVSTJZSA-N 0 3 318.424 3.056 20 30 DGEDHN CN(CCCN(C)Cc1ccc(C#N)c(F)c1)Cc1ccco1 ZINC000353564514 434232561 /nfs/dbraw/zinc/23/25/61/434232561.db2.gz COGYMOIOCHGDNB-UHFFFAOYSA-N 0 3 315.392 3.244 20 30 DGEDHN N#Cc1cccc(OCCN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000437541544 434282542 /nfs/dbraw/zinc/28/25/42/434282542.db2.gz XFNLDQRACSKGOD-DLBZAZTESA-N 0 3 302.443 3.297 20 30 DGEDHN C[C@@H](NC[C@](C)(CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000348293926 434290504 /nfs/dbraw/zinc/29/05/04/434290504.db2.gz QBYJYRAPRYWRFJ-AUUYWEPGSA-N 0 3 312.388 3.298 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCN(c2ncccc2F)CC1 ZINC000365194418 434290630 /nfs/dbraw/zinc/29/06/30/434290630.db2.gz JCZJBAXZSARSPO-UHFFFAOYSA-N 0 3 318.440 3.453 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCCO1 ZINC000348358797 434291841 /nfs/dbraw/zinc/29/18/41/434291841.db2.gz QIPSWNBWIACKFX-UONOGXRCSA-N 0 3 310.344 3.207 20 30 DGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000340678830 434292282 /nfs/dbraw/zinc/29/22/82/434292282.db2.gz MBBACWLSUJGBPU-UHFFFAOYSA-N 0 3 307.441 3.431 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000328679679 434295375 /nfs/dbraw/zinc/29/53/75/434295375.db2.gz BRUIQZSKRJLBJZ-HZSPNIEDSA-N 0 3 307.438 3.153 20 30 DGEDHN C[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000437593013 434297789 /nfs/dbraw/zinc/29/77/89/434297789.db2.gz MXBKEGURQVGBKQ-HNNXBMFYSA-N 0 3 324.403 3.018 20 30 DGEDHN O=C(N[C@H](CO)CC1CCCC1)[C@H]1CCCN1C1CCCC1 ZINC000328677683 434298071 /nfs/dbraw/zinc/29/80/71/434298071.db2.gz MCYGTNGVOYWBHI-DOTOQJQBSA-N 0 3 308.466 3.291 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000437584073 434298057 /nfs/dbraw/zinc/29/80/57/434298057.db2.gz QRWGRBSRFVYBAE-AEFFLSMTSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000340690584 434303754 /nfs/dbraw/zinc/30/37/54/434303754.db2.gz WDHJTPHNJJFJHF-CYBMUJFWSA-N 0 3 311.360 3.377 20 30 DGEDHN CN(C)[C@]1(CNC(=O)c2coc(C3CCCC3)n2)CCSC1 ZINC000328782078 434309051 /nfs/dbraw/zinc/30/90/51/434309051.db2.gz UZLWCEVOCQAGBL-INIZCTEOSA-N 0 3 323.462 3.074 20 30 DGEDHN C=CCC[C@H](CC)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287260235 434317310 /nfs/dbraw/zinc/31/73/10/434317310.db2.gz ILKRVBPCGLPLCA-WBVHZDCISA-N 0 3 304.434 3.331 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)cc1F ZINC000328908761 434327942 /nfs/dbraw/zinc/32/79/42/434327942.db2.gz MINGFGNSHFCAOJ-YOEHRIQHSA-N 0 3 319.380 3.209 20 30 DGEDHN O=C(C[C@@H]1CCCC[C@H]1O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000329158363 434367813 /nfs/dbraw/zinc/36/78/13/434367813.db2.gz WVMPGMGCIDRHHX-RCCFBDPRSA-N 0 3 316.445 3.159 20 30 DGEDHN CCN(CC)C(=O)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417378777 434373289 /nfs/dbraw/zinc/37/32/89/434373289.db2.gz FQVCWSZQIGHQNB-KDOFPFPSSA-N 0 3 313.445 3.172 20 30 DGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000329214645 434374654 /nfs/dbraw/zinc/37/46/54/434374654.db2.gz LJLGZXJHLKKNMQ-FVQBIDKESA-N 0 3 321.465 3.351 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000450677094 434336059 /nfs/dbraw/zinc/33/60/59/434336059.db2.gz YIZHOVDOXPGBRT-DNVCBOLYSA-N 0 3 306.409 3.302 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1cc(C#N)ccn1 ZINC000287414415 434357927 /nfs/dbraw/zinc/35/79/27/434357927.db2.gz SZDOMBOWMOYYFV-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H](CNC(=O)c1cc2nc[nH]c2cc1F)N1CCC(C)CC1 ZINC000329388288 434401000 /nfs/dbraw/zinc/40/10/00/434401000.db2.gz QOJBBHQWVQJVGA-LBPRGKRZSA-N 0 3 318.396 3.127 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H]1NCCc3ccccc31)CC2 ZINC000423416737 434415788 /nfs/dbraw/zinc/41/57/88/434415788.db2.gz FZJODGIDONCOCK-UXHICEINSA-N 0 3 303.409 3.022 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)cnc2ccccc21)c1ccsc1 ZINC000359674156 434422404 /nfs/dbraw/zinc/42/24/04/434422404.db2.gz CMCINZNEVZHXFE-KRWDZBQOSA-N 0 3 322.437 3.305 20 30 DGEDHN C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359761956 434427152 /nfs/dbraw/zinc/42/71/52/434427152.db2.gz DXPUDHQLYKLHTH-KUHUBIRLSA-N 0 3 319.408 3.107 20 30 DGEDHN CC(C)=CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295710416 434431833 /nfs/dbraw/zinc/43/18/33/434431833.db2.gz WKSZWIXRCSWMKF-MAUKXSAKSA-N 0 3 309.413 3.492 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000295737396 434432887 /nfs/dbraw/zinc/43/28/87/434432887.db2.gz WJFLGWQLJBVVOI-IBGZPJMESA-N 0 3 311.429 3.203 20 30 DGEDHN C=CC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000295742155 434435880 /nfs/dbraw/zinc/43/58/80/434435880.db2.gz GKYGMIBBTPBSCD-UHFFFAOYSA-N 0 3 310.825 3.431 20 30 DGEDHN CC(C)N1CCCC[C@@H]1CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000450885885 434459648 /nfs/dbraw/zinc/45/96/48/434459648.db2.gz VNSNMORBAFJMMS-GUDVDZBRSA-N 0 3 319.493 3.177 20 30 DGEDHN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000329827864 434487233 /nfs/dbraw/zinc/48/72/33/434487233.db2.gz JDPSCVRABWKKIN-HEHGZKQESA-N 0 3 321.465 3.351 20 30 DGEDHN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329906064 434504579 /nfs/dbraw/zinc/50/45/79/434504579.db2.gz JXEHHHVPLLVNIV-NSHDSACASA-N 0 3 311.451 3.054 20 30 DGEDHN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329906064 434504586 /nfs/dbraw/zinc/50/45/86/434504586.db2.gz JXEHHHVPLLVNIV-NSHDSACASA-N 0 3 311.451 3.054 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@H](CC)N(CC)CC ZINC000359856650 434449479 /nfs/dbraw/zinc/44/94/79/434449479.db2.gz KPQXLJSRKVQEEC-KRWDZBQOSA-N 0 3 316.449 3.439 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCC(C)(C)C#N)CC[C@H]21 ZINC000366558504 434449840 /nfs/dbraw/zinc/44/98/40/434449840.db2.gz LQJYFQXHPZVYRB-HUUCEWRRSA-N 0 3 321.465 3.258 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCC(C)(C)C#N)CC[C@@H]21 ZINC000366558502 434450703 /nfs/dbraw/zinc/45/07/03/434450703.db2.gz LQJYFQXHPZVYRB-CABCVRRESA-N 0 3 321.465 3.258 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000287793812 434452265 /nfs/dbraw/zinc/45/22/65/434452265.db2.gz JHSDOWNHPURZNY-QAPCUYQASA-N 0 3 306.413 3.418 20 30 DGEDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000398108801 434454270 /nfs/dbraw/zinc/45/42/70/434454270.db2.gz CIURBLPNEPLADC-HNAYVOBHSA-N 0 3 320.440 3.584 20 30 DGEDHN CCCCCCCCCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000366590905 434455749 /nfs/dbraw/zinc/45/57/49/434455749.db2.gz SQBXYTSGFKEALU-SFHVURJKSA-N 0 3 324.509 3.497 20 30 DGEDHN CC#CCCCC(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458212223 434530575 /nfs/dbraw/zinc/53/05/75/434530575.db2.gz MSFXCXRKPNLLQL-UHFFFAOYSA-N 0 3 302.418 3.068 20 30 DGEDHN C#Cc1ccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000367306869 434544897 /nfs/dbraw/zinc/54/48/97/434544897.db2.gz BFELAFGORNUACC-INIZCTEOSA-N 0 3 316.408 3.442 20 30 DGEDHN Cc1ccncc1CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367317277 434546290 /nfs/dbraw/zinc/54/62/90/434546290.db2.gz JJJCSHJUFDRKAA-UHFFFAOYSA-N 0 3 320.440 3.275 20 30 DGEDHN COc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000289894568 295126208 /nfs/dbraw/zinc/12/62/08/295126208.db2.gz TVIOATGANRUXGG-UHFFFAOYSA-N 0 3 323.440 3.131 20 30 DGEDHN CN(C)CCN(CCCc1ccccc1)Cc1ccc(C#N)o1 ZINC000349033629 434584029 /nfs/dbraw/zinc/58/40/29/434584029.db2.gz AFRJYUYZYOQSDI-UHFFFAOYSA-N 0 3 311.429 3.148 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CCCCC1 ZINC000452153124 434586172 /nfs/dbraw/zinc/58/61/72/434586172.db2.gz QNWNPUOYLXQBBE-SFHVURJKSA-N 0 3 304.478 3.457 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000369430352 434593655 /nfs/dbraw/zinc/59/36/55/434593655.db2.gz ABYUUEIECZPLJD-QGZVFWFLSA-N 0 3 315.461 3.177 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439335472 434594920 /nfs/dbraw/zinc/59/49/20/434594920.db2.gz ZJBLULGINXMWEH-AEFFLSMTSA-N 0 3 313.445 3.017 20 30 DGEDHN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCCN1C1CCCC1 ZINC000328689425 295379408 /nfs/dbraw/zinc/37/94/08/295379408.db2.gz IBHWYMYIUQETNY-HUUCEWRRSA-N 0 3 319.449 3.392 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424090448 434619211 /nfs/dbraw/zinc/61/92/11/434619211.db2.gz KLFVUNLMPMYJJW-WBMJQRKESA-N 0 3 319.836 3.413 20 30 DGEDHN COc1ccccc1-c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424091512 434620092 /nfs/dbraw/zinc/62/00/92/434620092.db2.gz ZROLVJMQYFVRGG-KRWDZBQOSA-N 0 3 323.396 3.322 20 30 DGEDHN CC(C)CCOc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424105702 434626364 /nfs/dbraw/zinc/62/63/64/434626364.db2.gz KESIMLKWIPDVBU-MRXNPFEDSA-N 0 3 303.406 3.071 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NC1c2ccccc2Oc2ccccc21 ZINC000424109382 434626443 /nfs/dbraw/zinc/62/64/43/434626443.db2.gz AHHGOCRALKSBKG-OAHLLOKOSA-N 0 3 321.380 3.019 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418367268 434636829 /nfs/dbraw/zinc/63/68/29/434636829.db2.gz ZIHBWGOMVFEWRM-GOSISDBHSA-N 0 3 315.461 3.417 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000424167303 434641097 /nfs/dbraw/zinc/64/10/97/434641097.db2.gz DEVQSFARCKLYLQ-MRXNPFEDSA-N 0 3 319.836 3.067 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)[C@@H](CC)C2)C1=O ZINC000410390127 434644499 /nfs/dbraw/zinc/64/44/99/434644499.db2.gz OOLHHEGDKBVOQJ-WDSOQIARSA-N 0 3 312.457 3.289 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H]1SC ZINC000418148059 434604222 /nfs/dbraw/zinc/60/42/22/434604222.db2.gz SKXBQMQZYPGHKH-XDNAFOTISA-N 0 3 316.470 3.434 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418151897 434606736 /nfs/dbraw/zinc/60/67/36/434606736.db2.gz UAJMGLOQTZWLEC-IRXDYDNUSA-N 0 3 303.450 3.464 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)c(Cl)c1 ZINC000439449728 434607517 /nfs/dbraw/zinc/60/75/17/434607517.db2.gz GRSHQVQEHHJXQC-OAHLLOKOSA-N 0 3 304.821 3.460 20 30 DGEDHN COCCOc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424322124 434696064 /nfs/dbraw/zinc/69/60/64/434696064.db2.gz HVQLINORVPGHFZ-IJEWVQPXSA-N 0 3 318.417 3.063 20 30 DGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2nccn2C)cc1 ZINC000424327942 434698862 /nfs/dbraw/zinc/69/88/62/434698862.db2.gz NIVABJGSMLSZBV-YQQAZPJKSA-N 0 3 324.428 3.342 20 30 DGEDHN CC[C@@H](CN(CC)C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424175426 434646118 /nfs/dbraw/zinc/64/61/18/434646118.db2.gz QEQYXWMUCBWGFW-DOTOQJQBSA-N 0 3 301.434 3.050 20 30 DGEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Oc1ccncc1 ZINC000424175274 434647238 /nfs/dbraw/zinc/64/72/38/434647238.db2.gz UETOSRJRVJLDDA-INIZCTEOSA-N 0 3 324.384 3.142 20 30 DGEDHN CCC(CC)(CNCc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000424184762 434648518 /nfs/dbraw/zinc/64/85/18/434648518.db2.gz FPMUKWRXIJIJFA-UHFFFAOYSA-N 0 3 319.449 3.134 20 30 DGEDHN CN1CCC(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000452656647 434669420 /nfs/dbraw/zinc/66/94/20/434669420.db2.gz OKHWTMGWHZQNFP-UHFFFAOYSA-N 0 3 315.417 3.016 20 30 DGEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC#N)[C@H]2CCCC[C@H]12 ZINC000439985796 434669562 /nfs/dbraw/zinc/66/95/62/434669562.db2.gz VSUCFCHGAWZXMD-SIRPWMCASA-N 0 3 305.466 3.084 20 30 DGEDHN C=CCn1cc(CN[C@H](C)[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000424297475 434683527 /nfs/dbraw/zinc/68/35/27/434683527.db2.gz QSAKKZPLAMDAHD-CHWSQXEVSA-N 0 3 304.825 3.399 20 30 DGEDHN CCC[C@@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C1CCC1 ZINC000459806524 434728438 /nfs/dbraw/zinc/72/84/38/434728438.db2.gz QPVJCAHZBMFAGA-OAHLLOKOSA-N 0 3 303.406 3.265 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000411345497 434766714 /nfs/dbraw/zinc/76/67/14/434766714.db2.gz YSDXLXJNUBNDPQ-QWHCGFSZSA-N 0 3 320.824 3.078 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460381207 434756001 /nfs/dbraw/zinc/75/60/01/434756001.db2.gz BXYLIRMRMXTINT-CVEARBPZSA-N 0 3 319.497 3.116 20 30 DGEDHN N#Cc1cccc(OCCCN2CCC(OC3CCC3)CC2)c1 ZINC000419279782 434764855 /nfs/dbraw/zinc/76/48/55/434764855.db2.gz DFXVBWOSTZWBTF-UHFFFAOYSA-N 0 3 314.429 3.361 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCSC[C@H]1C1CCC1 ZINC000419362238 434777813 /nfs/dbraw/zinc/77/78/13/434777813.db2.gz BMFMHLPFMZBMSJ-INIZCTEOSA-N 0 3 302.443 3.284 20 30 DGEDHN C=CC[C@H]1N(CC(=O)N(CC)C[C@@H](C)C#N)CCCC1(C)C ZINC000444782344 434791120 /nfs/dbraw/zinc/79/11/20/434791120.db2.gz QPUFOBMATYCBPK-JKSUJKDBSA-N 0 3 305.466 3.061 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000411640893 434812234 /nfs/dbraw/zinc/81/22/34/434812234.db2.gz LDJRRIWSVWTHGR-ZDUSSCGKSA-N 0 3 320.462 3.299 20 30 DGEDHN C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccncn1 ZINC000453152532 434816886 /nfs/dbraw/zinc/81/68/86/434816886.db2.gz VPEBBTBBOKFGJF-OOHWJJMZSA-N 0 3 322.412 3.389 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)[C@H](C)[C@H]2C)ccc1OC ZINC000361157749 434817594 /nfs/dbraw/zinc/81/75/94/434817594.db2.gz YESMNNOKRPCLMW-HZPDHXFCSA-N 0 3 318.461 3.175 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)C[C@H](O)Cc1ccccc1 ZINC000411760783 434826694 /nfs/dbraw/zinc/82/66/94/434826694.db2.gz SVCFBQXWZVMAKR-GOSISDBHSA-N 0 3 300.446 3.386 20 30 DGEDHN CC[C@H](COCC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000453251877 434841064 /nfs/dbraw/zinc/84/10/64/434841064.db2.gz FSINUFQGLWXKGG-UKRRQHHQSA-N 0 3 312.335 3.493 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000372740994 434850254 /nfs/dbraw/zinc/85/02/54/434850254.db2.gz MTDLWGQASFMJFE-LJQANCHMSA-N 0 3 312.457 3.488 20 30 DGEDHN CCN(CCOc1ccc(C#N)cc1OC)Cc1occc1C ZINC000412029280 434856935 /nfs/dbraw/zinc/85/69/35/434856935.db2.gz TYKODSWUOMTXGZ-UHFFFAOYSA-N 0 3 314.385 3.369 20 30 DGEDHN CN(Cc1ccc(C#N)cn1)C1CCN(Cc2ccccc2)CC1 ZINC000573184514 434879151 /nfs/dbraw/zinc/87/91/51/434879151.db2.gz LKFRKULJARLTFB-UHFFFAOYSA-N 0 3 320.440 3.050 20 30 DGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000573376155 434894462 /nfs/dbraw/zinc/89/44/62/434894462.db2.gz IZRJVOYGTUNRJV-WBVHZDCISA-N 0 3 304.390 3.134 20 30 DGEDHN CCC(CC)(CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000553876222 434906093 /nfs/dbraw/zinc/90/60/93/434906093.db2.gz TVQJBWXWGWTHRP-MRXNPFEDSA-N 0 3 302.418 3.080 20 30 DGEDHN C#C[C@@H](NCC1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000491809670 434865952 /nfs/dbraw/zinc/86/59/52/434865952.db2.gz ZEYSOKXOKMKUQG-QGZVFWFLSA-N 0 3 303.377 3.023 20 30 DGEDHN N#Cc1ccccc1N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463078574 434942222 /nfs/dbraw/zinc/94/22/22/434942222.db2.gz RBABLFBWCDLWQH-PMACEKPBSA-N 0 3 317.436 3.484 20 30 DGEDHN C[C@H](C1CCCCC1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000554836969 434949171 /nfs/dbraw/zinc/94/91/71/434949171.db2.gz DLFUAKWTAMQOQY-OAHLLOKOSA-N 0 3 305.466 3.230 20 30 DGEDHN Cc1cc(CNCCc2nnc(C(C)C)s2)ccc1C#N ZINC000492331400 434961852 /nfs/dbraw/zinc/96/18/52/434961852.db2.gz CYEGFUFYXGPTCC-UHFFFAOYSA-N 0 3 300.431 3.174 20 30 DGEDHN N#Cc1csc(CN[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000492126408 434920455 /nfs/dbraw/zinc/92/04/55/434920455.db2.gz DATYWJLZJSUZFA-CYBMUJFWSA-N 0 3 301.390 3.127 20 30 DGEDHN Cc1cc(CN[C@H]2CCN(c3ccccc3F)C2)ccc1C#N ZINC000492176976 434930868 /nfs/dbraw/zinc/93/08/68/434930868.db2.gz WFOAVRASGQFCPE-KRWDZBQOSA-N 0 3 309.388 3.374 20 30 DGEDHN COc1cccc([C@@H](CNCc2ccc(C#N)s2)OC)c1 ZINC000527733644 435014205 /nfs/dbraw/zinc/01/42/05/435014205.db2.gz DCEXXOVEUBVRNB-MRXNPFEDSA-N 0 3 302.399 3.106 20 30 DGEDHN CN(C(=O)CN1CCC[C@@H]1C(C)(C)C)C1(C#N)CCCCC1 ZINC000524756759 434988023 /nfs/dbraw/zinc/98/80/23/434988023.db2.gz NGZBXMHPHMIEHW-OAHLLOKOSA-N 0 3 305.466 3.182 20 30 DGEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000524812207 434994779 /nfs/dbraw/zinc/99/47/79/434994779.db2.gz YQAYCDFZAPDPQE-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@H](Cc1ccc(Br)cc1)NC[C@@H](C#N)CCC#N ZINC000574858811 435003808 /nfs/dbraw/zinc/00/38/08/435003808.db2.gz BJLPAFQEOKIXOR-TZMCWYRMSA-N 0 3 320.234 3.413 20 30 DGEDHN CC(C)C[C@@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000525410724 435006949 /nfs/dbraw/zinc/00/69/49/435006949.db2.gz LFAGNBLJNBPGCR-FUHWJXTLSA-N 0 3 307.482 3.332 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000556567507 435010993 /nfs/dbraw/zinc/01/09/93/435010993.db2.gz GWLWMHSSSZTQOF-UHFFFAOYSA-N 0 3 310.441 3.416 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000466393636 435074991 /nfs/dbraw/zinc/07/49/91/435074991.db2.gz ZMZDZVXBRLLDGB-QGZVFWFLSA-N 0 3 321.440 3.254 20 30 DGEDHN CCC(C#N)(CC)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000529484716 435036516 /nfs/dbraw/zinc/03/65/16/435036516.db2.gz ZVOAJZSAYJMMKD-UHFFFAOYSA-N 0 3 317.433 3.204 20 30 DGEDHN COCc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1C#N ZINC000529815976 435040714 /nfs/dbraw/zinc/04/07/14/435040714.db2.gz JKBXURZCDLHEHB-UHFFFAOYSA-N 0 3 323.396 3.019 20 30 DGEDHN C=CCCCCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000576477684 435056289 /nfs/dbraw/zinc/05/62/89/435056289.db2.gz ZDHQAPYKWBXCHZ-GVDBMIGSSA-N 0 3 307.482 3.105 20 30 DGEDHN COc1ccc([C@H](C)NCCc2cccc(C#N)c2)c(OC)c1 ZINC000467442147 435121956 /nfs/dbraw/zinc/12/19/56/435121956.db2.gz KDTDTIMPLGJIRF-AWEZNQCLSA-N 0 3 310.397 3.469 20 30 DGEDHN CC(C)C[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000469152421 435129702 /nfs/dbraw/zinc/12/97/02/435129702.db2.gz YUQJKQPNFNWONF-SJORKVTESA-N 0 3 319.493 3.476 20 30 DGEDHN CC[C@@H](CN1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000579189863 435136486 /nfs/dbraw/zinc/13/64/86/435136486.db2.gz MAYMQYQCNMKUBH-KRWDZBQOSA-N 0 3 320.440 3.269 20 30 DGEDHN CN(CC1CCCCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532755518 435191225 /nfs/dbraw/zinc/19/12/25/435191225.db2.gz RACVDTUNINFEQH-GOSISDBHSA-N 0 3 311.429 3.176 20 30 DGEDHN C=CC[C@H](C)N[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495617641 435203840 /nfs/dbraw/zinc/20/38/40/435203840.db2.gz JFTOBYUNTROBAH-QWHCGFSZSA-N 0 3 305.422 3.466 20 30 DGEDHN C[C@H]1C[C@@H](CN2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000495902954 435205899 /nfs/dbraw/zinc/20/58/99/435205899.db2.gz LADRFMXMOTYYQX-HOCLYGCPSA-N 0 3 321.465 3.258 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC12CCCC2)C(C)C ZINC000474697184 435157203 /nfs/dbraw/zinc/15/72/03/435157203.db2.gz NDHWJFWJMGUTQC-DLBZAZTESA-N 0 3 304.478 3.382 20 30 DGEDHN CC(C)(C#N)CCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000496495356 435217298 /nfs/dbraw/zinc/21/72/98/435217298.db2.gz TULAQFHQZUERII-HNNXBMFYSA-N 0 3 307.438 3.013 20 30 DGEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C#N)ccc1Cl ZINC000561532041 435223524 /nfs/dbraw/zinc/22/35/24/435223524.db2.gz DWBSOOBCLDMUIM-CQSZACIVSA-N 0 3 319.836 3.158 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496402721 435212304 /nfs/dbraw/zinc/21/23/04/435212304.db2.gz YEMKEAMFOHIBBR-ILXRZTDVSA-N 0 3 309.454 3.161 20 30 DGEDHN CC[C@@H](CC#N)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496613758 435231913 /nfs/dbraw/zinc/23/19/13/435231913.db2.gz JMOKLVSTPACVAA-CABCVRRESA-N 0 3 309.454 3.305 20 30 DGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@H](C#N)CCC#N)CC3 ZINC000562282330 435257197 /nfs/dbraw/zinc/25/71/97/435257197.db2.gz XVNYMDLZEKBVIM-LSDHHAIUSA-N 0 3 306.413 3.367 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000533706806 435253287 /nfs/dbraw/zinc/25/32/87/435253287.db2.gz AZTASIZUUPAIMG-AWEZNQCLSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cncc(Br)c1 ZINC000566500443 435286862 /nfs/dbraw/zinc/28/68/62/435286862.db2.gz ILYDHBBTAZDWCS-HONMWMINSA-N 0 3 311.223 3.228 20 30 DGEDHN CCCC[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503180458 435305635 /nfs/dbraw/zinc/30/56/35/435305635.db2.gz NYOHBZFSEYVVKZ-INIZCTEOSA-N 0 3 315.461 3.275 20 30 DGEDHN COC(=O)c1cccc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1C#N ZINC000535963193 435364998 /nfs/dbraw/zinc/36/49/98/435364998.db2.gz JNHGDGSXUGKEGX-GLJUWKHASA-N 0 3 312.413 3.498 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000536697098 435405510 /nfs/dbraw/zinc/40/55/10/435405510.db2.gz JUGFDMJINALJRC-INIZCTEOSA-N 0 3 317.429 3.415 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000513420643 435388799 /nfs/dbraw/zinc/38/87/99/435388799.db2.gz PQJRXYXEZCCGMY-MAUKXSAKSA-N 0 3 300.446 3.119 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCC[C@@H](C)C1 ZINC000537586664 435450684 /nfs/dbraw/zinc/45/06/84/435450684.db2.gz LLWQQJIHERTJJU-OLZOCXBDSA-N 0 3 319.836 3.062 20 30 DGEDHN C=CCN(C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CC1 ZINC000537853972 435470199 /nfs/dbraw/zinc/47/01/99/435470199.db2.gz KRYDOARWPDLYLV-CYBMUJFWSA-N 0 3 316.228 3.384 20 30 DGEDHN C=CCC[C@H](CO)NCc1cnn(Cc2ccccc2Cl)c1 ZINC000648821015 435431048 /nfs/dbraw/zinc/43/10/48/435431048.db2.gz ZYWTWVDUJVLTDJ-MRXNPFEDSA-N 0 3 319.836 3.002 20 30 DGEDHN COC(=O)c1cccc(CN(CC2CCC2)C(C)C)c1C#N ZINC000569310535 435521499 /nfs/dbraw/zinc/52/14/99/435521499.db2.gz YNZIWUKLZZUBGB-UHFFFAOYSA-N 0 3 300.402 3.355 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1Cl ZINC000538813481 435525015 /nfs/dbraw/zinc/52/50/15/435525015.db2.gz SAQIHDPDPJSIKB-GDBMZVCRSA-N 0 3 309.837 3.498 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483094795 435492790 /nfs/dbraw/zinc/49/27/90/435492790.db2.gz FAAIUDDLEJVBAT-NVXWUHKLSA-N 0 3 316.420 3.204 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000483109693 435496292 /nfs/dbraw/zinc/49/62/92/435496292.db2.gz KENIVPHGEOSRAB-RDJZCZTQSA-N 0 3 318.436 3.428 20 30 DGEDHN N#Cc1c(CN2CCC[C@H]2[C@@H]2CCCOC2)cn2ccccc12 ZINC000569689876 435553188 /nfs/dbraw/zinc/55/31/88/435553188.db2.gz UBKUNSVKZWHPNY-QAPCUYQASA-N 0 3 309.413 3.202 20 30 DGEDHN C[C@@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000517047950 435571705 /nfs/dbraw/zinc/57/17/05/435571705.db2.gz FGXJGPTUEDAGPW-ACJLOTCBSA-N 0 3 314.816 3.466 20 30 DGEDHN Cc1ccc(Cl)c2ccc(NC(=O)[C@@H](N)CCCC#N)nc12 ZINC000517234465 435584239 /nfs/dbraw/zinc/58/42/39/435584239.db2.gz IMXXEODYDVXIRY-ZDUSSCGKSA-N 0 3 316.792 3.156 20 30 DGEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1CCC1CCCC1)C1CC1 ZINC000486798105 435615683 /nfs/dbraw/zinc/61/56/83/435615683.db2.gz JOLXFNBMHQWOPO-MJGOQNOKSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CCCCCCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000486812749 435616700 /nfs/dbraw/zinc/61/67/00/435616700.db2.gz RVIOKEHDSLNULF-UHFFFAOYSA-N 0 3 312.461 3.198 20 30 DGEDHN CC(C)[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCN1C ZINC000487071731 435624498 /nfs/dbraw/zinc/62/44/98/435624498.db2.gz AYJZSCZQMBVWSX-HNNXBMFYSA-N 0 3 311.351 3.353 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000486311324 435595037 /nfs/dbraw/zinc/59/50/37/435595037.db2.gz NKZYBPPHXHCNEI-NVXWUHKLSA-N 0 3 301.434 3.039 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000486311323 435595259 /nfs/dbraw/zinc/59/52/59/435595259.db2.gz NKZYBPPHXHCNEI-DOTOQJQBSA-N 0 3 301.434 3.039 20 30 DGEDHN C[C@H]1C[C@@H]1N1CCN(c2cc(Cl)ccc2C#N)C[C@@H](C)C1 ZINC000488757734 435643360 /nfs/dbraw/zinc/64/33/60/435643360.db2.gz ZSZHGUCIQURMLY-XEZPLFJOSA-N 0 3 303.837 3.378 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000490574968 435663291 /nfs/dbraw/zinc/66/32/91/435663291.db2.gz IIFAEKVZZRUWTO-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN COC(=O)c1ccccc1CCN1CCC(CCC#N)CC1 ZINC000519602905 435690957 /nfs/dbraw/zinc/69/09/57/435690957.db2.gz WFEKQUJTQKDJDE-UHFFFAOYSA-N 0 3 300.402 3.031 20 30 DGEDHN C=CCCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000571273763 435693354 /nfs/dbraw/zinc/69/33/54/435693354.db2.gz YNEUCSMSIGPHKL-INIZCTEOSA-N 0 3 305.397 3.378 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN(CC3CC3)C3CCC3)o2)c1 ZINC000519738682 435705322 /nfs/dbraw/zinc/70/53/22/435705322.db2.gz TXUJUGKWTMODHW-UHFFFAOYSA-N 0 3 308.385 3.373 20 30 DGEDHN C#C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000491690916 435794472 /nfs/dbraw/zinc/79/44/72/435794472.db2.gz CQIWUSOMOYAGLY-HKUYNNGSSA-N 0 3 320.367 3.389 20 30 DGEDHN C=CCC[C@H](NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000655800665 435811743 /nfs/dbraw/zinc/81/17/43/435811743.db2.gz CUNLIBSOHYZTIU-NCOADZHNSA-N 0 3 306.450 3.374 20 30 DGEDHN C=CC[C@H]1CC[C@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000651749877 435813441 /nfs/dbraw/zinc/81/34/41/435813441.db2.gz MFRWZKCJZVVINK-QWRGUYRKSA-N 0 3 312.335 3.377 20 30 DGEDHN C[C@@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCCOC1 ZINC000491800450 435814359 /nfs/dbraw/zinc/81/43/59/435814359.db2.gz BVPHRUSZVWKOOH-DGCLKSJQSA-N 0 3 323.234 3.225 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cc2cc(Br)ccc2o1 ZINC000641767386 435814936 /nfs/dbraw/zinc/81/49/36/435814936.db2.gz JVIIWEYRSXLDKZ-ZDUSSCGKSA-N 0 3 322.202 3.059 20 30 DGEDHN CC#CC[C@H](CO)NCc1ccc(-c2ccccc2OC)cc1 ZINC000641769389 435815467 /nfs/dbraw/zinc/81/54/67/435815467.db2.gz UUIXVMAWHMOQGD-GOSISDBHSA-N 0 3 309.409 3.226 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000660599275 435819726 /nfs/dbraw/zinc/81/97/26/435819726.db2.gz HYOCCIJKZIMAQO-AEFFLSMTSA-N 0 3 319.493 3.461 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000651815366 435834965 /nfs/dbraw/zinc/83/49/65/435834965.db2.gz MZDXTOLZCHMWMS-LZQZEXGQSA-N 0 3 300.446 3.410 20 30 DGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C2CCCC2)C1 ZINC000572591988 435844975 /nfs/dbraw/zinc/84/49/75/435844975.db2.gz PHLPEDJXYZBAPO-YOEHRIQHSA-N 0 3 311.429 3.397 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]4CCC[C@H]43)C2=O)cc1 ZINC000572851907 435875191 /nfs/dbraw/zinc/87/51/91/435875191.db2.gz AUIIBSQUNMXEBB-QRQLOZEOSA-N 0 3 323.440 3.318 20 30 DGEDHN C=C(CC)CNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000656251500 435923903 /nfs/dbraw/zinc/92/39/03/435923903.db2.gz BKTRZQHJOGWPBS-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCC1(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000665269700 435934884 /nfs/dbraw/zinc/93/48/84/435934884.db2.gz LOJKOGSUOWQVPI-CVEARBPZSA-N 0 3 305.466 3.191 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000661009600 435943974 /nfs/dbraw/zinc/94/39/74/435943974.db2.gz KPVIVONNYKFLQB-OIISXLGYSA-N 0 3 305.466 3.071 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000661072280 435957779 /nfs/dbraw/zinc/95/77/79/435957779.db2.gz WXXFKZADIBVOSQ-NVXWUHKLSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCc1cc(CN[C@H]2CNc3ccccc3C2)cc(OC)c1O ZINC000650716674 436002800 /nfs/dbraw/zinc/00/28/00/436002800.db2.gz GMFJPHCHJYUAED-QGZVFWFLSA-N 0 3 324.424 3.256 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccccc1Cl)[C@H](C)COC ZINC000661242834 436005468 /nfs/dbraw/zinc/00/54/68/436005468.db2.gz GGKRDVGMNHAECG-CYBMUJFWSA-N 0 3 310.825 3.192 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000661383863 436050966 /nfs/dbraw/zinc/05/09/66/436050966.db2.gz FOQOSBYTPZFQOR-CQSZACIVSA-N 0 3 300.406 3.172 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)CCN1CCCCC1)c1ccccc1 ZINC000652991066 436086304 /nfs/dbraw/zinc/08/63/04/436086304.db2.gz OXWDXLKWJVNUSA-KRWDZBQOSA-N 0 3 300.446 3.291 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000661526848 436096932 /nfs/dbraw/zinc/09/69/32/436096932.db2.gz KCQLQWMXWZZQPI-RLFYNMQTSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCCn1cc(CNCCCc2ccc(Cl)cc2)nn1 ZINC000657349879 436150259 /nfs/dbraw/zinc/15/02/59/436150259.db2.gz NIEYDRLFPUNKTQ-UHFFFAOYSA-N 0 3 304.825 3.230 20 30 DGEDHN C=CCCn1cc(CN[C@@H](CC)Cc2ccc(F)cc2)nn1 ZINC000657546839 436241828 /nfs/dbraw/zinc/24/18/28/436241828.db2.gz ALZMXHIXMOENCL-INIZCTEOSA-N 0 3 302.397 3.104 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)nn1 ZINC000657452864 436208831 /nfs/dbraw/zinc/20/88/31/436208831.db2.gz LREYKCZDHIOJSP-WBVHZDCISA-N 0 3 314.408 3.419 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(F)c1OC(F)F ZINC000657454408 436211041 /nfs/dbraw/zinc/21/10/41/436211041.db2.gz IRMOUZCVKJHGGM-JSGCOSHPSA-N 0 3 315.335 3.498 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661881868 436221810 /nfs/dbraw/zinc/22/18/10/436221810.db2.gz XNAAGWHTRQPPKT-BZSNNMDCSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCn1cc(CN[C@H](C)Cc2ccc(F)cc2C)nn1 ZINC000657560308 436245214 /nfs/dbraw/zinc/24/52/14/436245214.db2.gz GTVXNXYQGGBSPW-CQSZACIVSA-N 0 3 302.397 3.023 20 30 DGEDHN C=CCC1(NCc2cnc([C@@H]3CCCO3)s2)CCOCC1 ZINC000657633111 436264904 /nfs/dbraw/zinc/26/49/04/436264904.db2.gz HEUQKLGEXCSXGB-AWEZNQCLSA-N 0 3 308.447 3.210 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000662077957 436267468 /nfs/dbraw/zinc/26/74/68/436267468.db2.gz GLDWLGZRGZABRX-ZJPYXAASSA-N 0 3 302.462 3.351 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H](COC)CC1CCOCC1 ZINC000657882383 436331487 /nfs/dbraw/zinc/33/14/87/436331487.db2.gz YWPOXRLXLYVPMA-GOSISDBHSA-N 0 3 319.445 3.173 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2COC3(CCC3)C2)cc1 ZINC000657923601 436340743 /nfs/dbraw/zinc/34/07/43/436340743.db2.gz VUWNDXZYOIKRDG-OAHLLOKOSA-N 0 3 309.331 3.358 20 30 DGEDHN C=CCCCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000654665823 436449372 /nfs/dbraw/zinc/44/93/72/436449372.db2.gz REJZBLDQEAECLB-QGZVFWFLSA-N 0 3 307.482 3.393 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658950484 436450207 /nfs/dbraw/zinc/45/02/07/436450207.db2.gz XRMYQMFFDWMPNK-KBRIMQKVSA-N 0 3 304.409 3.071 20 30 DGEDHN Cn1ncc(C2CC2)c1C(=O)C(C#N)c1nccc2ccccc21 ZINC000659114728 436462550 /nfs/dbraw/zinc/46/25/50/436462550.db2.gz GGWBWAHTKONKRK-HNNXBMFYSA-N 0 3 316.364 3.336 20 30 DGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnc3n2CCC3)s1 ZINC000659115045 436462759 /nfs/dbraw/zinc/46/27/59/436462759.db2.gz NTHTYTPYNPOJEA-SNVBAGLBSA-N 0 3 314.414 3.073 20 30 DGEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655631691 436568525 /nfs/dbraw/zinc/56/85/25/436568525.db2.gz XUZXEVDBWRVKBW-UHFFFAOYSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H]1CCCn2ccnc21)C(C)C ZINC000655688278 436574244 /nfs/dbraw/zinc/57/42/44/436574244.db2.gz UQTVMPLBRLAXHM-IRXDYDNUSA-N 0 3 302.466 3.006 20 30 DGEDHN C=CCC[C@@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000664497354 436611051 /nfs/dbraw/zinc/61/10/51/436611051.db2.gz QUOIKTDKQRIHFQ-QZTJIDSGSA-N 0 3 315.461 3.430 20 30 DGEDHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961691 314165897 /nfs/dbraw/zinc/16/58/97/314165897.db2.gz RCYJAXZGXGWZHR-KBPBESRZSA-N 0 3 307.397 3.140 20 30 DGEDHN Cc1csc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000565163663 315236845 /nfs/dbraw/zinc/23/68/45/315236845.db2.gz QXJRGAWJLGFSTQ-STQMWFEESA-N 0 3 318.446 3.019 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)Cc1cccc(C#N)c1 ZINC000573265188 315852419 /nfs/dbraw/zinc/85/24/19/315852419.db2.gz VBFPKUPMNBYTKR-UHFFFAOYSA-N 0 3 322.412 3.157 20 30 DGEDHN CCN1CCCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000576579391 316144799 /nfs/dbraw/zinc/14/47/99/316144799.db2.gz DCAOOIFYOCXKKJ-UHFFFAOYSA-N 0 3 314.820 3.292 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2ccc(C#N)cn2)C1 ZINC000578079777 316301525 /nfs/dbraw/zinc/30/15/25/316301525.db2.gz CPQJVTZQRSNOSK-FCLVOEFKSA-N 0 3 313.445 3.105 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2ccc(C#N)cn2)C1 ZINC000578079779 316301787 /nfs/dbraw/zinc/30/17/87/316301787.db2.gz CPQJVTZQRSNOSK-OAOYMFHYSA-N 0 3 313.445 3.105 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N(C3CC3)C3CCCC3)C2=O)cc1 ZINC000583493474 324361264 /nfs/dbraw/zinc/36/12/64/324361264.db2.gz RZNDUDSPWTVDDN-IBGZPJMESA-N 0 3 323.440 3.461 20 30 DGEDHN Cc1cc(CNCc2ccccc2OCCN(C)C)ccc1C#N ZINC000443955441 533709293 /nfs/dbraw/zinc/70/92/93/533709293.db2.gz DEOBIUCYUJPASQ-UHFFFAOYSA-N 0 3 323.440 3.097 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000171606947 332857913 /nfs/dbraw/zinc/85/79/13/332857913.db2.gz WJORGEDPCJPVDA-DOTOQJQBSA-N 0 3 307.482 3.247 20 30 DGEDHN Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)c1 ZINC000584106786 331741759 /nfs/dbraw/zinc/74/17/59/331741759.db2.gz ICZFEGXMKQEFPR-CYBMUJFWSA-N 0 3 313.426 3.435 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2Cl)CC1 ZINC000255557413 331770286 /nfs/dbraw/zinc/77/02/86/331770286.db2.gz MOTOIYQKKGZHNF-FPLPWBNLSA-N 0 3 304.821 3.120 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000072658580 331931529 /nfs/dbraw/zinc/93/15/29/331931529.db2.gz QIKTWSZWEVFJCF-UHFFFAOYSA-N 0 3 323.396 3.055 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC2CC2)C2CCCCC2)CC1 ZINC000518532392 332074668 /nfs/dbraw/zinc/07/46/68/332074668.db2.gz PXGQIXGNQPGCLF-UHFFFAOYSA-N 0 3 319.493 3.391 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000185030641 335108085 /nfs/dbraw/zinc/10/80/85/335108085.db2.gz YMIARYFSALMIPG-HNNXBMFYSA-N 0 3 304.459 3.195 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2sccc2C)CC1 ZINC000560906521 332393031 /nfs/dbraw/zinc/39/30/31/332393031.db2.gz HHBGEYXBYHDLNR-UHFFFAOYSA-N 0 3 321.490 3.238 20 30 DGEDHN C=CCOCCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000293580309 335109269 /nfs/dbraw/zinc/10/92/69/335109269.db2.gz NPIJNFRLNXNEGR-LJQANCHMSA-N 0 3 319.445 3.033 20 30 DGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000182891040 333181110 /nfs/dbraw/zinc/18/11/10/333181110.db2.gz WQJJOWOVXMNBHW-MAUKXSAKSA-N 0 3 301.434 3.009 20 30 DGEDHN COC(=O)[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000191861842 333283138 /nfs/dbraw/zinc/28/31/38/333283138.db2.gz YZRWVPUDPZFSCZ-HOCLYGCPSA-N 0 3 314.429 3.119 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000295685351 335136992 /nfs/dbraw/zinc/13/69/92/335136992.db2.gz VZMSRWSOOPIVRM-HNNXBMFYSA-N 0 3 306.475 3.340 20 30 DGEDHN C=C(C)CN(CC)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188670370 333385072 /nfs/dbraw/zinc/38/50/72/333385072.db2.gz VAVKZHMJSHVMJA-QGZVFWFLSA-N 0 3 322.399 3.354 20 30 DGEDHN C=C(C)CN(CC)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188670395 333385151 /nfs/dbraw/zinc/38/51/51/333385151.db2.gz VAVKZHMJSHVMJA-KRWDZBQOSA-N 0 3 322.399 3.354 20 30 DGEDHN C=CCSCCN[C@H](C)c1cncc(Br)c1 ZINC000563442305 333607463 /nfs/dbraw/zinc/60/74/63/333607463.db2.gz HZOBWZONXAMDPM-SNVBAGLBSA-N 0 3 301.253 3.414 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC=C(C)CC1)C(C)C ZINC000535220130 334380524 /nfs/dbraw/zinc/38/05/24/334380524.db2.gz MPIXCIDBXLDNBE-QGZVFWFLSA-N 0 3 305.466 3.047 20 30 DGEDHN CC[C@]1(C)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000344213032 335225629 /nfs/dbraw/zinc/22/56/29/335225629.db2.gz GTUBQGZDHUNXAD-VQIMIIECSA-N 0 3 313.445 3.444 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCC(C(F)(F)F)CC1 ZINC000344194127 335229297 /nfs/dbraw/zinc/22/92/97/335229297.db2.gz ZOAIWEXNKURFSW-UHFFFAOYSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccsc1C)C(C)C ZINC000345161925 335302714 /nfs/dbraw/zinc/30/27/14/335302714.db2.gz LTDIWQZTRGURKX-KRWDZBQOSA-N 0 3 320.502 3.414 20 30 DGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(C#N)CC(C)C1 ZINC000532328211 336241635 /nfs/dbraw/zinc/24/16/35/336241635.db2.gz QQUUYLHBNNNXNR-UHFFFAOYSA-N 0 3 313.445 3.037 20 30 DGEDHN C=CCC[C@H](CO)NCc1cccc(Br)c1F ZINC000321045045 337187221 /nfs/dbraw/zinc/18/72/21/337187221.db2.gz UFENMEBKHYLYRP-LLVKDONJSA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2c(C)cccc2SC)CC1 ZINC000185007293 337201321 /nfs/dbraw/zinc/20/13/21/337201321.db2.gz PZUCHSZPTDTASD-UHFFFAOYSA-N 0 3 319.474 3.489 20 30 DGEDHN N#CCC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000397327058 337260062 /nfs/dbraw/zinc/26/00/62/337260062.db2.gz YHJTUDLVFQZSPF-UHFFFAOYSA-N 0 3 323.234 3.454 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2scc(C)c2C#N)CC1 ZINC000584448302 337338994 /nfs/dbraw/zinc/33/89/94/337338994.db2.gz KQUAALKGFXJFPQ-UHFFFAOYSA-N 0 3 318.446 3.090 20 30 DGEDHN N#CC1(CCN2CCOC3(CCOCC3)CC2)CCCCC1 ZINC000583858223 337349826 /nfs/dbraw/zinc/34/98/26/337349826.db2.gz HGTMSXIIQPRQBX-UHFFFAOYSA-N 0 3 306.450 3.122 20 30 DGEDHN C=CCN1CCC(NC(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC000264467254 337632626 /nfs/dbraw/zinc/63/26/26/337632626.db2.gz HQFDFIPGLJSAGF-UHFFFAOYSA-N 0 3 317.820 3.202 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000121537011 337895076 /nfs/dbraw/zinc/89/50/76/337895076.db2.gz FOVYMEWWWAEASS-MRXNPFEDSA-N 0 3 300.446 3.255 20 30 DGEDHN C[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1CO ZINC000499053515 340028576 /nfs/dbraw/zinc/02/85/76/340028576.db2.gz HSROFJADNFUUBX-CJNGLKHVSA-N 0 3 311.347 3.150 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507235413 340215018 /nfs/dbraw/zinc/21/50/18/340215018.db2.gz ZZNNXLJPOIJHQO-UONOGXRCSA-N 0 3 314.433 3.027 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508869971 340254902 /nfs/dbraw/zinc/25/49/02/340254902.db2.gz JQFHJIMOPXNDEC-AEFFLSMTSA-N 0 3 315.461 3.370 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508883380 340255013 /nfs/dbraw/zinc/25/50/13/340255013.db2.gz VXFKRVCASNKJJN-RDJZCZTQSA-N 0 3 303.450 3.285 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(C)(C)C)C(C)C ZINC000509241841 340264445 /nfs/dbraw/zinc/26/44/45/340264445.db2.gz WWUWAVFVVOMVPD-INIZCTEOSA-N 0 3 309.498 3.373 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000303648435 340339505 /nfs/dbraw/zinc/33/95/05/340339505.db2.gz TWQVGAVMDDGWFC-IBGZPJMESA-N 0 3 312.457 3.203 20 30 DGEDHN C=CCOc1cccc(CN[C@H](CO)Cc2ccccc2C)c1 ZINC000188939526 340523571 /nfs/dbraw/zinc/52/35/71/340523571.db2.gz KFUYYQASKKVDFO-IBGZPJMESA-N 0 3 311.425 3.253 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000522083291 340569839 /nfs/dbraw/zinc/56/98/39/340569839.db2.gz KRKYKBKQZFNWSW-JKSUJKDBSA-N 0 3 300.446 3.193 20 30 DGEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000526002204 340708299 /nfs/dbraw/zinc/70/82/99/340708299.db2.gz HMJCNHIUCLFDFB-QGZVFWFLSA-N 0 3 313.445 3.044 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000538155315 340811613 /nfs/dbraw/zinc/81/16/13/340811613.db2.gz UFRFPJGUXUFJGV-MRXNPFEDSA-N 0 3 302.462 3.367 20 30 DGEDHN N#CCCCOc1cccc(CNC[C@H](O)C2CCCCC2)c1 ZINC000069170503 340951826 /nfs/dbraw/zinc/95/18/26/340951826.db2.gz BXZWIUNUIIFPTH-IBGZPJMESA-N 0 3 316.445 3.400 20 30 DGEDHN COc1ccc(-c2n[nH]cc2CN2CCC(CC#N)CC2)cc1 ZINC000541918404 340989424 /nfs/dbraw/zinc/98/94/24/340989424.db2.gz AEGBFMLUVNARIC-UHFFFAOYSA-N 0 3 310.401 3.211 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)[C@H](C)c1ccccc1 ZINC000544432828 341082021 /nfs/dbraw/zinc/08/20/21/341082021.db2.gz JELFRUOJKLIIPV-CYJAXWMASA-N 0 3 315.461 3.211 20 30 DGEDHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(CC#N)CC2)c1 ZINC000544450706 341082731 /nfs/dbraw/zinc/08/27/31/341082731.db2.gz CULIVPAAECSBOX-HNNXBMFYSA-N 0 3 322.836 3.014 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)NC1(C#N)CCCCC1 ZINC000544894838 341097641 /nfs/dbraw/zinc/09/76/41/341097641.db2.gz XALVIXSTAJJVHW-MRXNPFEDSA-N 0 3 313.445 3.297 20 30 DGEDHN CC(C)C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000074994501 341159285 /nfs/dbraw/zinc/15/92/85/341159285.db2.gz PGBHGDOUEFOCEA-KRWDZBQOSA-N 0 3 313.445 3.301 20 30 DGEDHN C=C(C)COCCNCc1c[nH]nc1-c1c(F)cccc1F ZINC000133942677 341202133 /nfs/dbraw/zinc/20/21/33/341202133.db2.gz VOPSVTQVNSSCCN-UHFFFAOYSA-N 0 3 307.344 3.037 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC2CC2)c1 ZINC000077194705 341220337 /nfs/dbraw/zinc/22/03/37/341220337.db2.gz AMBBTRUDQQBKGA-INIZCTEOSA-N 0 3 313.445 3.280 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2ccc(F)cc2C1 ZINC000550204136 341312488 /nfs/dbraw/zinc/31/24/88/341312488.db2.gz ZOYGSXBFXAKLSW-KRWDZBQOSA-N 0 3 322.383 3.483 20 30 DGEDHN CC[C@H](CC#N)N[C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246157858 341330029 /nfs/dbraw/zinc/33/00/29/341330029.db2.gz HWRSCFYJENIUIY-RRFJBIMHSA-N 0 3 309.454 3.446 20 30 DGEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000246642234 341355009 /nfs/dbraw/zinc/35/50/09/341355009.db2.gz DKBPGHRZCAZCAX-RBUKOAKNSA-N 0 3 315.461 3.370 20 30 DGEDHN CC#CCCCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552007059 341359571 /nfs/dbraw/zinc/35/95/71/341359571.db2.gz DFUSEZOBEXSYEI-UHFFFAOYSA-N 0 3 321.424 3.077 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000248874524 341389004 /nfs/dbraw/zinc/38/90/04/341389004.db2.gz IXJQOESQKFWJHQ-NYUZSIGZSA-N 0 3 306.356 3.467 20 30 DGEDHN OC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000565924504 341542555 /nfs/dbraw/zinc/54/25/55/341542555.db2.gz XJMYCYBLZLIOAC-INIZCTEOSA-N 0 3 311.347 3.198 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cncc(Br)c1 ZINC000566500441 341560244 /nfs/dbraw/zinc/56/02/44/341560244.db2.gz ILYDHBBTAZDWCS-GDLCADMTSA-N 0 3 311.223 3.228 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)NC1CCN(CC=C)CC1 ZINC000171738828 341783848 /nfs/dbraw/zinc/78/38/48/341783848.db2.gz OSWHKFGQNIFUGH-UHFFFAOYSA-N 0 3 319.474 3.096 20 30 DGEDHN COc1ccc(COCCNCc2ccc(C#N)c(C)c2)cc1 ZINC000443999961 533721902 /nfs/dbraw/zinc/72/19/02/533721902.db2.gz VIXWYJNMJOTAOO-UHFFFAOYSA-N 0 3 310.397 3.182 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000332284480 533780007 /nfs/dbraw/zinc/78/00/07/533780007.db2.gz DYHSCISNGLXDCA-RKVPGOIHSA-N 0 3 309.413 3.135 20 30 DGEDHN COc1cc(CN(C)Cc2cccc(N(C)C)c2)ccc1C#N ZINC000442881651 533786858 /nfs/dbraw/zinc/78/68/58/533786858.db2.gz NJQMOHGPTMSSRR-UHFFFAOYSA-N 0 3 309.413 3.265 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100569151 1180798720 /nfs/dbraw/zinc/79/87/20/1180798720.db2.gz NZSUAAZZMJRJLO-UHFFFAOYSA-N 0 3 305.249 3.002 20 30 DGEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H](O)c1ccc(F)cc1 ZINC000126998721 533792010 /nfs/dbraw/zinc/79/20/10/533792010.db2.gz KRWBIVJUYNBJDJ-UYSIFVEPSA-N 0 3 324.399 3.461 20 30 DGEDHN COc1cc(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)ccc1C#N ZINC000442890116 533794279 /nfs/dbraw/zinc/79/42/79/533794279.db2.gz NCYBYNARVYOBLG-SJLPKXTDSA-N 0 3 302.418 3.202 20 30 DGEDHN COc1cc(CN2CCN(CCC(C)(C)C)CC2)ccc1C#N ZINC000442793029 533810602 /nfs/dbraw/zinc/81/06/02/533810602.db2.gz AMJTYDFMUUIQPH-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN COc1cc(CNCCCN(C)c2ccccc2)ccc1C#N ZINC000323790507 533872755 /nfs/dbraw/zinc/87/27/55/533872755.db2.gz DHPKFDAKZGABRR-UHFFFAOYSA-N 0 3 309.413 3.183 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccccc1C#Cc1ccccc1)N(C)C ZINC000351685197 533997159 /nfs/dbraw/zinc/99/71/59/533997159.db2.gz MJKPOSMGJITTFZ-INIZCTEOSA-N 0 3 321.424 3.158 20 30 DGEDHN C[C@@H]1[C@H](C)SCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433344583 534253355 /nfs/dbraw/zinc/25/33/55/534253355.db2.gz SKKNFKZFMSHTDU-IJEWVQPXSA-N 0 3 302.443 3.111 20 30 DGEDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330952823 534332189 /nfs/dbraw/zinc/33/21/89/534332189.db2.gz FOQUEIBIHZCFII-UHFFFAOYSA-N 0 3 319.405 3.330 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000495402214 534371271 /nfs/dbraw/zinc/37/12/71/534371271.db2.gz PUFAEZPAIZUGKC-DLBZAZTESA-N 0 3 303.450 3.252 20 30 DGEDHN C=C(CC)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000455530100 534407546 /nfs/dbraw/zinc/40/75/46/534407546.db2.gz ZRIBLTHRIWIADG-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000458766162 534511991 /nfs/dbraw/zinc/51/19/91/534511991.db2.gz LEGZUHODPHMWBU-KGLIPLIRSA-N 0 3 307.438 3.220 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC(F)F)c(OC)c1 ZINC000449547415 534574208 /nfs/dbraw/zinc/57/42/08/534574208.db2.gz IAMBVIDUISGYSU-OLZOCXBDSA-N 0 3 313.344 3.120 20 30 DGEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCCC1 ZINC000452128571 534585444 /nfs/dbraw/zinc/58/54/44/534585444.db2.gz VETTWKQDMXTSCX-BRWVUGGUSA-N 0 3 304.478 3.312 20 30 DGEDHN N#CCCN(C(=O)CN1CC[C@H](CC2CC2)C1)c1ccccc1 ZINC000339682977 534630700 /nfs/dbraw/zinc/63/07/00/534630700.db2.gz ZVYWJMJQUDHKJV-QGZVFWFLSA-N 0 3 311.429 3.055 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000156542467 522780670 /nfs/dbraw/zinc/78/06/70/522780670.db2.gz CKCMRGHYZKLIOA-FQEVSTJZSA-N 0 3 324.424 3.383 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470184822 534674435 /nfs/dbraw/zinc/67/44/35/534674435.db2.gz XRPCUQUMKZRMMO-APWZRJJASA-N 0 3 312.457 3.479 20 30 DGEDHN C=CCCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000472843635 534683559 /nfs/dbraw/zinc/68/35/59/534683559.db2.gz ABYFNPAYZYYNPJ-GOSISDBHSA-N 0 3 315.461 3.479 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000442850440 534754522 /nfs/dbraw/zinc/75/45/22/534754522.db2.gz PLHHLWMENFKOIL-GXSJLCMTSA-N 0 3 300.189 3.049 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000449697875 534791177 /nfs/dbraw/zinc/79/11/77/534791177.db2.gz LZNCBDZSSWWONE-INIZCTEOSA-N 0 3 305.418 3.059 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000449694209 534791834 /nfs/dbraw/zinc/79/18/34/534791834.db2.gz ATOAIGDCLAPJCI-SFHVURJKSA-N 0 3 312.413 3.174 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)CCC#N ZINC000428265961 534863542 /nfs/dbraw/zinc/86/35/42/534863542.db2.gz BICOEXSFPOJHHO-NXEZZACHSA-N 0 3 302.344 3.405 20 30 DGEDHN C=CCN(CCC(=O)N1CCc2ccccc21)CCc1ccco1 ZINC000352702507 526271385 /nfs/dbraw/zinc/27/13/85/526271385.db2.gz YBZDBKGLEDCKDQ-UHFFFAOYSA-N 0 3 324.424 3.290 20 30 DGEDHN C=CCN(CCC(=O)Nc1cccc(F)c1)CCc1ccco1 ZINC000352720264 526273949 /nfs/dbraw/zinc/27/39/49/526273949.db2.gz KMMQQNYDYCOJPV-UHFFFAOYSA-N 0 3 316.376 3.478 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1cc(C(=O)OC)n(C)c1 ZINC000347859171 526313744 /nfs/dbraw/zinc/31/37/44/526313744.db2.gz TZONLKIVGOGEQO-UHFFFAOYSA-N 0 3 312.413 3.042 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@H](C)N1CCCCCC1 ZINC000353119393 526321272 /nfs/dbraw/zinc/32/12/72/526321272.db2.gz WREMTCGKRHBRIM-INIZCTEOSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCN(C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357534803 526331306 /nfs/dbraw/zinc/33/13/06/526331306.db2.gz XXIWBAIYGILVKL-GUYCJALGSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341188424 526362615 /nfs/dbraw/zinc/36/26/15/526362615.db2.gz DEWOLXXTPOGBLF-GDBMZVCRSA-N 0 3 319.424 3.006 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341188427 526363607 /nfs/dbraw/zinc/36/36/07/526363607.db2.gz DEWOLXXTPOGBLF-HOCLYGCPSA-N 0 3 319.424 3.006 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000424890720 526435316 /nfs/dbraw/zinc/43/53/16/526435316.db2.gz JAPQWXNXFAYTJQ-UHFFFAOYSA-N 0 3 308.397 3.307 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000171713342 526438903 /nfs/dbraw/zinc/43/89/03/526438903.db2.gz VADHEOBGKQKFMT-OGWOLHLISA-N 0 3 319.493 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000357819185 526445519 /nfs/dbraw/zinc/44/55/19/526445519.db2.gz KWIJTNWLNGNLKK-STQMWFEESA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413126974 526455184 /nfs/dbraw/zinc/45/51/84/526455184.db2.gz LFCWMBUZSPUCME-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(F)c3ccccc32)C1=O ZINC000352262684 526483979 /nfs/dbraw/zinc/48/39/79/526483979.db2.gz JRMROVDPONTNLA-SCLBCKFNSA-N 0 3 312.388 3.416 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000183076156 526486888 /nfs/dbraw/zinc/48/68/88/526486888.db2.gz YSMXTILUBPZMMZ-HOCLYGCPSA-N 0 3 321.490 3.349 20 30 DGEDHN C=C(C)CN(CCCO[C@@H]1CCCCO1)Cc1ccc(CO)o1 ZINC000352800797 526550932 /nfs/dbraw/zinc/55/09/32/526550932.db2.gz PXLHKMWPTHZRAN-GOSISDBHSA-N 0 3 323.433 3.083 20 30 DGEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000180035814 526570950 /nfs/dbraw/zinc/57/09/50/526570950.db2.gz ATCBIZUMNMHPPS-INIZCTEOSA-N 0 3 315.461 3.020 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC23CCCCC3)CC1 ZINC000180351978 526593697 /nfs/dbraw/zinc/59/36/97/526593697.db2.gz ASSGBWCIPNZAPY-INIZCTEOSA-N 0 3 305.466 3.049 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000358368220 526595289 /nfs/dbraw/zinc/59/52/89/526595289.db2.gz OEYXZQSCWADJHL-UHFFFAOYSA-N 0 3 312.417 3.330 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCCCC3)O2)s1 ZINC000181093809 526623196 /nfs/dbraw/zinc/62/31/96/526623196.db2.gz XUQMJBLGKNYVJC-ZDUSSCGKSA-N 0 3 306.431 3.175 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000352273131 526626011 /nfs/dbraw/zinc/62/60/11/526626011.db2.gz YLCIWJZQJZVPRK-QWHCGFSZSA-N 0 3 300.377 3.320 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](CO)C/C=C/C)ccc1OC ZINC000185826635 526660837 /nfs/dbraw/zinc/66/08/37/526660837.db2.gz OMPZJFORGVEXFZ-SQRWCISFSA-N 0 3 305.418 3.067 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294542463 526665295 /nfs/dbraw/zinc/66/52/95/526665295.db2.gz UCQYDAPFQIGZOY-INIZCTEOSA-N 0 3 318.486 3.177 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N(C)CCN(C)C2CC2)c1 ZINC000184275913 526666921 /nfs/dbraw/zinc/66/69/21/526666921.db2.gz DFNCXZBQMLZURK-UHFFFAOYSA-N 0 3 317.433 3.199 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2c(s1)C[C@H](C)CC2 ZINC000435749761 526801980 /nfs/dbraw/zinc/80/19/80/526801980.db2.gz VNIMEUZAVUADNT-IGCXYCKISA-N 0 3 306.475 3.339 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000344662683 526847542 /nfs/dbraw/zinc/84/75/42/526847542.db2.gz KDYXBNRDORZMDR-QGZVFWFLSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCCO2)cc1OC ZINC000127328802 526861116 /nfs/dbraw/zinc/86/11/16/526861116.db2.gz ILTKXVPAMBCMRT-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOc1ccc(CN2C[C@@H](C)N(CC)C[C@H]2C)cc1OC ZINC000353803707 526873033 /nfs/dbraw/zinc/87/30/33/526873033.db2.gz LNUKGTARVWBGPV-HZPDHXFCSA-N 0 3 318.461 3.175 20 30 DGEDHN C=C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000339987445 526897287 /nfs/dbraw/zinc/89/72/87/526897287.db2.gz VGKASHQHMIVHQJ-CHWSQXEVSA-N 0 3 318.383 3.074 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000180641998 526930437 /nfs/dbraw/zinc/93/04/37/526930437.db2.gz BARYSDPKCRDKCD-HXUWFJFHSA-N 0 3 324.468 3.379 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(C)(C)C)cc2)CC1 ZINC000132654300 526933863 /nfs/dbraw/zinc/93/38/63/526933863.db2.gz MRYYQVRLFDEQSZ-UHFFFAOYSA-N 0 3 314.429 3.148 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418247738 526954181 /nfs/dbraw/zinc/95/41/81/526954181.db2.gz GXSZXPPVXCAUSI-MRXNPFEDSA-N 0 3 303.450 3.321 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000348194627 526978365 /nfs/dbraw/zinc/97/83/65/526978365.db2.gz WDEGNAUOSPONPF-LJQANCHMSA-N 0 3 312.457 3.420 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355234191 527022185 /nfs/dbraw/zinc/02/21/85/527022185.db2.gz DSXLDKJRAFNVSD-LJQANCHMSA-N 0 3 312.457 3.488 20 30 DGEDHN C=CCC1(C(=O)N2CCN(C3CCC(C)CC3)CC2)CCC1 ZINC000358785735 527043155 /nfs/dbraw/zinc/04/31/55/527043155.db2.gz VPNLALZIVUGKRL-UHFFFAOYSA-N 0 3 304.478 3.456 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)c(OC)cc1Cl ZINC000341270286 527077649 /nfs/dbraw/zinc/07/76/49/527077649.db2.gz VKUBQFVTMUIYEF-SNVBAGLBSA-N 0 3 304.217 3.276 20 30 DGEDHN C=CC[C@@H](CO)CNCc1ccc(Sc2ccccn2)o1 ZINC000352734677 527079390 /nfs/dbraw/zinc/07/93/90/527079390.db2.gz ZQTXNNQCEQGMOZ-CYBMUJFWSA-N 0 3 304.415 3.100 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000341892237 527083284 /nfs/dbraw/zinc/08/32/84/527083284.db2.gz WOXDCOPJRNMUFP-VXGBXAGGSA-N 0 3 313.825 3.192 20 30 DGEDHN C=CC[C@@H]1N(Cc2cc(=O)n3ccsc3n2)CCCC1(C)C ZINC000444786421 527119211 /nfs/dbraw/zinc/11/92/11/527119211.db2.gz ODACAEIGOCINFB-AWEZNQCLSA-N 0 3 317.458 3.323 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176864561 527130364 /nfs/dbraw/zinc/13/03/64/527130364.db2.gz PIDJVVMIRQZDGB-LZWOXQAQSA-N 0 3 321.490 3.395 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176864531 527131026 /nfs/dbraw/zinc/13/10/26/527131026.db2.gz PIDJVVMIRQZDGB-DZKIICNBSA-N 0 3 321.490 3.395 20 30 DGEDHN CC(=O)c1ccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1O ZINC000331238983 527222296 /nfs/dbraw/zinc/22/22/96/527222296.db2.gz OCDXXMVXFBYEKD-QWHCGFSZSA-N 0 3 318.417 3.020 20 30 DGEDHN C=CCCCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129674721 527235256 /nfs/dbraw/zinc/23/52/56/527235256.db2.gz XYSICAXCPPXYLV-CYBMUJFWSA-N 0 3 310.323 3.469 20 30 DGEDHN C=CCc1cc(CNC[C@H](C)C(F)(F)F)cc(OC)c1O ZINC000359132673 527241678 /nfs/dbraw/zinc/24/16/78/527241678.db2.gz VZNULPWJCKXBJD-JTQLQIEISA-N 0 3 303.324 3.417 20 30 DGEDHN C=CCCN(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415956152 527312179 /nfs/dbraw/zinc/31/21/79/527312179.db2.gz RNQBMEWXUFMWIR-UHFFFAOYSA-N 0 3 301.312 3.204 20 30 DGEDHN C=CCCN(C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000343491612 527319815 /nfs/dbraw/zinc/31/98/15/527319815.db2.gz NOTOVXGWBVTRCR-UHFFFAOYSA-N 0 3 312.207 3.228 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359840956 527388104 /nfs/dbraw/zinc/38/81/04/527388104.db2.gz OFIDRSBNKQKJDS-FUHWJXTLSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357852628 527399807 /nfs/dbraw/zinc/39/98/07/527399807.db2.gz BJOQPPAOSNPCMT-LZLYRXPVSA-N 0 3 318.461 3.084 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCN(CCC)CC1)c1ccccc1 ZINC000134398573 527419772 /nfs/dbraw/zinc/41/97/72/527419772.db2.gz UZTNONFSNJJVCJ-KRWDZBQOSA-N 0 3 300.446 3.291 20 30 DGEDHN C=CCC[C@@H](NC(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000130986289 527438964 /nfs/dbraw/zinc/43/89/64/527438964.db2.gz CQIGOVRXJFSJAK-GOSISDBHSA-N 0 3 315.461 3.431 20 30 DGEDHN C=CCC[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435114038 527443327 /nfs/dbraw/zinc/44/33/27/527443327.db2.gz PVZZYOMYINASJQ-SJLPKXTDSA-N 0 3 313.445 3.230 20 30 DGEDHN CC(C)=CCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354458210 527449858 /nfs/dbraw/zinc/44/98/58/527449858.db2.gz COEWHMGRISVBQI-INIZCTEOSA-N 0 3 307.353 3.312 20 30 DGEDHN CC(C)(C#N)CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174807936 527464636 /nfs/dbraw/zinc/46/46/36/527464636.db2.gz YACSKNJQOLLFLZ-UHFFFAOYSA-N 0 3 316.405 3.047 20 30 DGEDHN C=CCC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000180039370 527483203 /nfs/dbraw/zinc/48/32/03/527483203.db2.gz KWJQRSCMSMBZFK-PKOBYXMFSA-N 0 3 313.445 3.338 20 30 DGEDHN C=CCC[C@H](NC[C@@H]1CN(CC(C)C)CCO1)c1ccco1 ZINC000353445024 527484975 /nfs/dbraw/zinc/48/49/75/527484975.db2.gz WBISJSPOVPXDDC-SJORKVTESA-N 0 3 306.450 3.233 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000346782516 527506376 /nfs/dbraw/zinc/50/63/76/527506376.db2.gz OJDRGNDOMZWFPE-OAHLLOKOSA-N 0 3 301.434 3.363 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccccn2)n1 ZINC000429719398 527572205 /nfs/dbraw/zinc/57/22/05/527572205.db2.gz KWQYHEVCJGVBNU-UHFFFAOYSA-N 0 3 316.474 3.145 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000429719905 527574571 /nfs/dbraw/zinc/57/45/71/527574571.db2.gz PLDPLJVWVBJBFJ-AWEZNQCLSA-N 0 3 323.868 3.107 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000429725682 527575171 /nfs/dbraw/zinc/57/51/71/527575171.db2.gz ZJDXPMJEQUOSDX-OAHLLOKOSA-N 0 3 305.422 3.404 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000429700574 527575290 /nfs/dbraw/zinc/57/52/90/527575290.db2.gz IKYHFSQMSKYWSW-INIZCTEOSA-N 0 3 317.477 3.016 20 30 DGEDHN CCN1CCN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)c(C)c2)CC1 ZINC000442872842 527708629 /nfs/dbraw/zinc/70/86/29/527708629.db2.gz OAIPUIKUBWSEHY-DLBZAZTESA-N 0 3 312.461 3.241 20 30 DGEDHN C=CCCN(C)Cc1ccc(I)s1 ZINC001560758810 1189375123 /nfs/dbraw/zinc/37/51/23/1189375123.db2.gz JLZLMPVTACUKCD-UHFFFAOYSA-N 0 3 307.200 3.361 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)NCC(C)(C)CCC#N ZINC000358706976 528080385 /nfs/dbraw/zinc/08/03/85/528080385.db2.gz KHUPUXVQPAQGDD-UHFFFAOYSA-N 0 3 322.497 3.224 20 30 DGEDHN CC(C)Oc1ccc([C@@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185832477 528205471 /nfs/dbraw/zinc/20/54/71/528205471.db2.gz IGFMXYLHJOFJRL-ZVZYQTTQSA-N 0 3 302.418 3.179 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(F)c1N ZINC000330683048 528231312 /nfs/dbraw/zinc/23/13/12/528231312.db2.gz IHGDBCTUBKQTRK-NSHDSACASA-N 0 3 313.804 3.240 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)OCO3)n1 ZINC000177771080 528241615 /nfs/dbraw/zinc/24/16/15/528241615.db2.gz VBEKICXOOGMSBT-LLVKDONJSA-N 0 3 314.366 3.485 20 30 DGEDHN CC(C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000180759242 528358259 /nfs/dbraw/zinc/35/82/59/528358259.db2.gz AWPZXHOMEQTEJQ-MJGOQNOKSA-N 0 3 315.461 3.418 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1cc(C)ccc1C ZINC000133886026 528359526 /nfs/dbraw/zinc/35/95/26/528359526.db2.gz CLMSUBGARNKTLN-GOSISDBHSA-N 0 3 313.445 3.203 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184382706 528362409 /nfs/dbraw/zinc/36/24/09/528362409.db2.gz LDKZSCZTBBPTFH-ZDUSSCGKSA-N 0 3 315.442 3.314 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181357208 528364713 /nfs/dbraw/zinc/36/47/13/528364713.db2.gz NWMHRAZEXPVBDC-GOSISDBHSA-N 0 3 313.445 3.270 20 30 DGEDHN CCC(=O)[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339354006 528451134 /nfs/dbraw/zinc/45/11/34/528451134.db2.gz KALKRRBLNNIBLM-IAGOWNOFSA-N 0 3 312.413 3.119 20 30 DGEDHN CC(C)C[C@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000435925421 528599584 /nfs/dbraw/zinc/59/95/84/528599584.db2.gz FBYOPFVHLSSPCW-ROUUACIJSA-N 0 3 314.429 3.032 20 30 DGEDHN CCOc1cccc2cc([C@H](C)NCCOCCC#N)oc21 ZINC000339085716 528699420 /nfs/dbraw/zinc/69/94/20/528699420.db2.gz LBOGRLMITZBMML-ZDUSSCGKSA-N 0 3 302.374 3.412 20 30 DGEDHN CCN(Cc1cc(Br)ccc1F)C(=O)C(C)C#N ZINC000347060493 528764289 /nfs/dbraw/zinc/76/42/89/528764289.db2.gz CQIJLCRKNLZTBA-SECBINFHSA-N 0 3 313.170 3.096 20 30 DGEDHN CCOC(=O)N1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000181919357 528958592 /nfs/dbraw/zinc/95/85/92/528958592.db2.gz ZUWRQXXHJGYGHH-KRWDZBQOSA-N 0 3 315.417 3.242 20 30 DGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(C#N)cc1OC ZINC000429284159 529115752 /nfs/dbraw/zinc/11/57/52/529115752.db2.gz JJBHSYICZHHULA-DLBZAZTESA-N 0 3 302.418 3.250 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000343397466 529125516 /nfs/dbraw/zinc/12/55/16/529125516.db2.gz CLKFMSONXSSADT-BBRMVZONSA-N 0 3 321.852 3.387 20 30 DGEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000444677418 529288497 /nfs/dbraw/zinc/28/84/97/529288497.db2.gz PQOGCWRIUMCEQW-QZTJIDSGSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)N(CC)CC ZINC000435445277 529291947 /nfs/dbraw/zinc/29/19/47/529291947.db2.gz DOVZOSUYJKZTDQ-INIZCTEOSA-N 0 3 317.433 3.404 20 30 DGEDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429775170 529321952 /nfs/dbraw/zinc/32/19/52/529321952.db2.gz OONBYGKUFJPBJP-IAQYHMDHSA-N 0 3 305.809 3.318 20 30 DGEDHN CC[C@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000353100547 529352214 /nfs/dbraw/zinc/35/22/14/529352214.db2.gz VATDULIIHVCQGK-MRXNPFEDSA-N 0 3 323.824 3.159 20 30 DGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@@H]1n1cccn1 ZINC000449655154 534997469 /nfs/dbraw/zinc/99/74/69/534997469.db2.gz GJXCHUGATUGRFU-KURKYZTESA-N 0 3 324.428 3.042 20 30 DGEDHN CC(C)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000473161414 535182215 /nfs/dbraw/zinc/18/22/15/535182215.db2.gz BREHWMZGQISDRU-ROUUACIJSA-N 0 3 309.413 3.135 20 30 DGEDHN CCC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471056156 535419783 /nfs/dbraw/zinc/41/97/83/535419783.db2.gz NLLJBMVNTQOYAL-MSOLQXFVSA-N 0 3 309.413 3.279 20 30 DGEDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC(C)(C#N)CC1 ZINC000449133393 536956050 /nfs/dbraw/zinc/95/60/50/536956050.db2.gz YGYCKRGSIVQPPE-UHFFFAOYSA-N 0 3 303.362 3.165 20 30 DGEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123798254 545907739 /nfs/dbraw/zinc/90/77/39/545907739.db2.gz SCRPIEXOEDUGCI-IAGOWNOFSA-N 0 3 302.443 3.045 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000124405001 545912733 /nfs/dbraw/zinc/91/27/33/545912733.db2.gz LDTOFJMHDXXZAX-KRWDZBQOSA-N 0 3 321.424 3.090 20 30 DGEDHN O=C(CN1CCC[C@@H](C2CC2)C1)NC(=O)NCc1ccccc1 ZINC000329626370 546488298 /nfs/dbraw/zinc/48/82/98/546488298.db2.gz GRIYMKKLKPQNBU-MRXNPFEDSA-N 0 3 315.417 3.179 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000668492428 547467541 /nfs/dbraw/zinc/46/75/41/547467541.db2.gz AKCNSWCMVRQREE-AWEZNQCLSA-N 0 3 300.381 3.195 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1Cl ZINC000668706059 547513951 /nfs/dbraw/zinc/51/39/51/547513951.db2.gz PMWAGRJUMXINIJ-LSDHHAIUSA-N 0 3 307.821 3.373 20 30 DGEDHN C=C[C@H](C)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000674957364 548142467 /nfs/dbraw/zinc/14/24/67/548142467.db2.gz TVILCCVVWQZFDW-JKSUJKDBSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@H](CC)CN1CCCC1 ZINC000675194029 548170572 /nfs/dbraw/zinc/17/05/72/548170572.db2.gz NDAMTFCOSZOVAK-OAHLLOKOSA-N 0 3 321.490 3.320 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC(c2nc3ccccc3s2)CC1 ZINC000677476904 548505992 /nfs/dbraw/zinc/50/59/92/548505992.db2.gz JRPWNRGOJVGQFP-HNNXBMFYSA-N 0 3 302.443 3.413 20 30 DGEDHN CCC#C[C@H](C)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000677480231 548506232 /nfs/dbraw/zinc/50/62/32/548506232.db2.gz VUIDOHQOTMVNHP-AWEZNQCLSA-N 0 3 302.393 3.278 20 30 DGEDHN COCC#CCN1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000677817120 548561322 /nfs/dbraw/zinc/56/13/22/548561322.db2.gz HQCCVFZTIKVZCA-UHFFFAOYSA-N 0 3 300.377 3.136 20 30 DGEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000678049998 548600667 /nfs/dbraw/zinc/60/06/67/548600667.db2.gz SGRUHYOAUZODPG-HIFRSBDPSA-N 0 3 306.475 3.138 20 30 DGEDHN C=C(C)[C@H](CO)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000678049150 548600870 /nfs/dbraw/zinc/60/08/70/548600870.db2.gz FTRNSSBHWNHRFU-WFASDCNBSA-N 0 3 316.228 3.384 20 30 DGEDHN COCC#CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000678080878 548608853 /nfs/dbraw/zinc/60/88/53/548608853.db2.gz PDFIVICRSLVOAB-UHFFFAOYSA-N 0 3 306.409 3.363 20 30 DGEDHN CCC#C[C@H](C)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000678219619 548641379 /nfs/dbraw/zinc/64/13/79/548641379.db2.gz KIOIWEYOULWRAS-HNNXBMFYSA-N 0 3 316.445 3.382 20 30 DGEDHN C=CC[C@H](CO)CNCc1c(Cl)cccc1OC(F)F ZINC000678732262 548753793 /nfs/dbraw/zinc/75/37/93/548753793.db2.gz JUYOHZQPNFJOAO-JTQLQIEISA-N 0 3 305.752 3.216 20 30 DGEDHN C=CC[C@@H](CO)CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000678731942 548754117 /nfs/dbraw/zinc/75/41/17/548754117.db2.gz BACFIURIYKTGIC-CYBMUJFWSA-N 0 3 318.442 3.093 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000679376546 548889445 /nfs/dbraw/zinc/88/94/45/548889445.db2.gz HFQVZAIUFKUQPW-SFHVURJKSA-N 0 3 315.461 3.431 20 30 DGEDHN CC[C@H](NCC#CCOC)c1cc(F)cc(Br)c1 ZINC000681596443 549227732 /nfs/dbraw/zinc/22/77/32/549227732.db2.gz KYBFZYWMJNDFII-AWEZNQCLSA-N 0 3 314.198 3.279 20 30 DGEDHN CCn1nc(C)cc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000682995213 549410035 /nfs/dbraw/zinc/41/00/35/549410035.db2.gz RBVPFSIYOBZMIX-HNNXBMFYSA-N 0 3 304.353 3.250 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1(C)C ZINC000683564688 549506306 /nfs/dbraw/zinc/50/63/06/549506306.db2.gz KUDAZENFQAZYSP-SJORKVTESA-N 0 3 319.493 3.247 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCN1CC ZINC000684267537 549605842 /nfs/dbraw/zinc/60/58/42/549605842.db2.gz DLGFOSMONFQUEZ-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN COCC#CCN1CCC(c2cccc(Br)c2)CC1 ZINC000685008137 549733180 /nfs/dbraw/zinc/73/31/80/549733180.db2.gz YYGROCGAXMTKNB-UHFFFAOYSA-N 0 3 322.246 3.278 20 30 DGEDHN N#CC1(CNC2CC(c3ccc(Cl)cc3)C2)CCOCC1 ZINC001659081333 1196342491 /nfs/dbraw/zinc/34/24/91/1196342491.db2.gz FIWZWYLQARREND-UHFFFAOYSA-N 0 3 304.821 3.496 20 30 DGEDHN C#CCOc1ccccc1CN(C)C[C@](C)(O)c1ccccc1 ZINC000730261197 574523315 /nfs/dbraw/zinc/52/33/15/574523315.db2.gz UECUMPRPVDGFEG-FQEVSTJZSA-N 0 3 309.409 3.038 20 30 DGEDHN N#CCOc1ccc(CNCc2ccnc3ccccc23)cc1 ZINC000731360667 574547837 /nfs/dbraw/zinc/54/78/37/574547837.db2.gz MAPIKMUVMALWHJ-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN CCC(CC)[C@@H](O)C/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000731938253 574563110 /nfs/dbraw/zinc/56/31/10/574563110.db2.gz SKYFSYWDTOIMCY-IZILLXMLSA-N 0 3 306.450 3.454 20 30 DGEDHN C#Cc1cccc(NC(=S)NCCN2CCCC[C@H]2CC)c1 ZINC000733209341 574608642 /nfs/dbraw/zinc/60/86/42/574608642.db2.gz JKRVGNVPJQWNJA-QGZVFWFLSA-N 0 3 315.486 3.219 20 30 DGEDHN C#CCOc1ccc(CNCCO[C@H]2CCCC[C@@H]2C)cc1 ZINC000733325091 574615678 /nfs/dbraw/zinc/61/56/78/574615678.db2.gz WVBHBGLHSJQAEU-LPHOPBHVSA-N 0 3 301.430 3.384 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000734400122 574659755 /nfs/dbraw/zinc/65/97/55/574659755.db2.gz USLVCWWMJKOPDA-QGZVFWFLSA-N 0 3 306.494 3.299 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000735205226 574692040 /nfs/dbraw/zinc/69/20/40/574692040.db2.gz BBONKSPTABRQPL-AGEOTTOMSA-N 0 3 300.358 3.089 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735408481 574701058 /nfs/dbraw/zinc/70/10/58/574701058.db2.gz MEBFBUBBSXOBDC-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735408481 574701060 /nfs/dbraw/zinc/70/10/60/574701060.db2.gz MEBFBUBBSXOBDC-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735408481 574701062 /nfs/dbraw/zinc/70/10/62/574701062.db2.gz MEBFBUBBSXOBDC-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735408481 574701064 /nfs/dbraw/zinc/70/10/64/574701064.db2.gz MEBFBUBBSXOBDC-UHFFFAOYSA-N 0 3 303.385 3.184 20 30 DGEDHN C=CCCCOC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000735530970 574705388 /nfs/dbraw/zinc/70/53/88/574705388.db2.gz SOWVABRVMUDAQV-CQSZACIVSA-N 0 3 307.777 3.202 20 30 DGEDHN C#CCN(C(=O)NCCN1CCCC[C@H]1CC)C1CCCCC1 ZINC000737068103 574821546 /nfs/dbraw/zinc/82/15/46/574821546.db2.gz SWNZDFZSHDGDFR-QGZVFWFLSA-N 0 3 319.493 3.228 20 30 DGEDHN C=CCNC(=S)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000737458123 574845336 /nfs/dbraw/zinc/84/53/36/574845336.db2.gz LKPKRFKQEATGSX-WBVHZDCISA-N 0 3 317.502 3.032 20 30 DGEDHN C=C(Cl)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000740916771 574945859 /nfs/dbraw/zinc/94/58/59/574945859.db2.gz BZMNDBRPHSKSLL-OAHLLOKOSA-N 0 3 321.852 3.045 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000742179786 574983922 /nfs/dbraw/zinc/98/39/22/574983922.db2.gz LOSSYDSUBVMPKK-GOSISDBHSA-N 0 3 324.468 3.101 20 30 DGEDHN COc1ccc(CN[C@H](C)COc2cccc(F)c2)cc1C#N ZINC000742367798 574992647 /nfs/dbraw/zinc/99/26/47/574992647.db2.gz KFLLSGQKQLHODL-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN COc1ccc(CNC[C@H](O)c2cccc(Cl)c2)cc1C#N ZINC000742368083 574992906 /nfs/dbraw/zinc/99/29/06/574992906.db2.gz RVAUPCWFWGTDGC-INIZCTEOSA-N 0 3 316.788 3.043 20 30 DGEDHN COc1ccc(CNCCN2CCCc3ccccc32)cc1C#N ZINC000742369098 574992924 /nfs/dbraw/zinc/99/29/24/574992924.db2.gz MJNAHGBTJCNAPR-UHFFFAOYSA-N 0 3 321.424 3.109 20 30 DGEDHN COc1ccc(CNCCc2cccc(F)c2F)cc1C#N ZINC000742370717 574992961 /nfs/dbraw/zinc/99/29/61/574992961.db2.gz KFQYJINJOKKGPR-UHFFFAOYSA-N 0 3 302.324 3.177 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744022105 575068851 /nfs/dbraw/zinc/06/88/51/575068851.db2.gz HWKGEEOQGQAFPY-IUODEOHRSA-N 0 3 320.820 3.459 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC001568655835 1190574263 /nfs/dbraw/zinc/57/42/63/1190574263.db2.gz SUKVUJHYVWSTRT-CQSZACIVSA-N 0 3 300.874 3.440 20 30 DGEDHN CC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729473300 575250793 /nfs/dbraw/zinc/25/07/93/575250793.db2.gz WLRWAEHICDRWJK-NWDGAFQWSA-N 0 3 301.415 3.203 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000746740594 575473047 /nfs/dbraw/zinc/47/30/47/575473047.db2.gz GEWVGJPDOKBPJL-UHFFFAOYSA-N 0 3 308.381 3.421 20 30 DGEDHN C#CCCOc1ccc(CN[C@H](COC)Cc2ccccc2)cc1 ZINC000747100537 575496261 /nfs/dbraw/zinc/49/62/61/575496261.db2.gz JXBCWSDMICDHEQ-FQEVSTJZSA-N 0 3 323.436 3.436 20 30 DGEDHN C=CCCCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000748296006 575578964 /nfs/dbraw/zinc/57/89/64/575578964.db2.gz GOPOAMFPGIAYPS-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CCCCCCC1 ZINC000748805613 575608174 /nfs/dbraw/zinc/60/81/74/575608174.db2.gz MTKQWWHIJYDEKS-UHFFFAOYSA-N 0 3 313.445 3.219 20 30 DGEDHN CCC[C@@H](C)CC(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000749056020 575624194 /nfs/dbraw/zinc/62/41/94/575624194.db2.gz ODLHTYITDITBSF-MNOVXSKESA-N 0 3 308.403 3.322 20 30 DGEDHN CN(Cc1cc(Cl)ccc1OCC#N)[C@@H](CO)C(C)(C)C ZINC000749466175 575658848 /nfs/dbraw/zinc/65/88/48/575658848.db2.gz MXHZRXSJRUVBQZ-HNNXBMFYSA-N 0 3 310.825 3.081 20 30 DGEDHN C[C@@H](C#N)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000751779198 575804458 /nfs/dbraw/zinc/80/44/58/575804458.db2.gz CGKQZSILOIDOLA-HNNXBMFYSA-N 0 3 308.381 3.387 20 30 DGEDHN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)C(C1CC1)C1CC1 ZINC000727165930 576110917 /nfs/dbraw/zinc/11/09/17/576110917.db2.gz MKNYIFDMOYSAHZ-UHFFFAOYSA-N 0 3 306.413 3.500 20 30 DGEDHN CCc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000727954545 576155963 /nfs/dbraw/zinc/15/59/63/576155963.db2.gz RBOUJDYZFRVVNN-CXAGYDPISA-N 0 3 312.413 3.120 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCCOc2ccccc2F)cc1 ZINC000728712890 576196635 /nfs/dbraw/zinc/19/66/35/576196635.db2.gz BZOORMXHSXQMOU-AWEZNQCLSA-N 0 3 314.360 3.285 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(F)c(Br)c1 ZINC000852750596 620645807 /nfs/dbraw/zinc/64/58/07/620645807.db2.gz ZOTVARMEWMIVJJ-UHFFFAOYSA-N 0 3 314.198 3.060 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(OCc2ccncc2)cc1 ZINC000852751519 620646107 /nfs/dbraw/zinc/64/61/07/620646107.db2.gz GNCSHRDSOJABRD-UHFFFAOYSA-N 0 3 324.424 3.132 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000852752303 620646141 /nfs/dbraw/zinc/64/61/41/620646141.db2.gz XZGLNTOELNZUOX-UHFFFAOYSA-N 0 3 315.335 3.099 20 30 DGEDHN N#CC(C(=O)Cc1ccsc1)C(=O)Nc1ccccc1Cl ZINC000916911734 620650115 /nfs/dbraw/zinc/65/01/15/620650115.db2.gz WUGUHXBUKCAAES-NSHDSACASA-N 0 3 318.785 3.292 20 30 DGEDHN C#CCN(C[C@H](O)c1ccccc1F)[C@@H]1CCc2ccccc21 ZINC000917117426 620657277 /nfs/dbraw/zinc/65/72/77/620657277.db2.gz KEUFGBQHOFNBQM-UXHICEINSA-N 0 3 309.384 3.482 20 30 DGEDHN C=CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C ZINC000917168173 620658989 /nfs/dbraw/zinc/65/89/89/620658989.db2.gz QYLFWDBJMNWKJU-OAHLLOKOSA-N 0 3 320.396 3.120 20 30 DGEDHN C=CC[C@H]1CCCN(Cn2ccc(-c3ccc(F)cn3)n2)C1 ZINC000853536385 620707976 /nfs/dbraw/zinc/70/79/76/620707976.db2.gz BODXLCLHHXDDLW-AWEZNQCLSA-N 0 3 300.381 3.330 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246638 617759948 /nfs/dbraw/zinc/75/99/48/617759948.db2.gz CWEKBNWUUZTJQY-QGZVFWFLSA-N 0 3 317.477 3.074 20 30 DGEDHN C#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000891313753 617772550 /nfs/dbraw/zinc/77/25/50/617772550.db2.gz XNLRJOZBJMYNMK-KGLIPLIRSA-N 0 3 311.303 3.354 20 30 DGEDHN C=C1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000891395017 617790976 /nfs/dbraw/zinc/79/09/76/617790976.db2.gz UGUDEZIOSCKWLY-GOSISDBHSA-N 0 3 313.445 3.185 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891542634 617830450 /nfs/dbraw/zinc/83/04/50/617830450.db2.gz LWBCAJFPDQOLMY-ZDUSSCGKSA-N 0 3 307.463 3.149 20 30 DGEDHN C=CC(C)(C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000892259547 617998427 /nfs/dbraw/zinc/99/84/27/617998427.db2.gz BWRAFYAKCORZJF-GOEBONIOSA-N 0 3 301.434 3.086 20 30 DGEDHN C[C@]1(Br)C[C@@H]1CNC1(c2cccc(C#N)c2)CC1 ZINC000893190166 618467640 /nfs/dbraw/zinc/46/76/40/618467640.db2.gz AHRSEMSYBUXXBW-KGLIPLIRSA-N 0 3 305.219 3.310 20 30 DGEDHN C#Cc1ccc(CNCc2cc(C(=O)OC)c(C(C)C)[nH]2)cc1 ZINC000894874784 618485074 /nfs/dbraw/zinc/48/50/74/618485074.db2.gz XZHNODIOEOPLGR-UHFFFAOYSA-N 0 3 310.397 3.196 20 30 DGEDHN C[C@H](CC(C)(C)C#N)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000925739378 618591308 /nfs/dbraw/zinc/59/13/08/618591308.db2.gz WVXSROXMNPZOQN-MRXNPFEDSA-N 0 3 314.477 3.174 20 30 DGEDHN CC(C)(N[C@@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc(C#N)c1 ZINC000895330655 618597020 /nfs/dbraw/zinc/59/70/20/618597020.db2.gz VIMZZXOVBPXLQJ-JKSUJKDBSA-N 0 3 318.392 3.017 20 30 DGEDHN C#CCOc1ccccc1CNCc1cc(C)cc(OC)c1O ZINC000894274201 618748969 /nfs/dbraw/zinc/74/89/69/618748969.db2.gz VKXXVJBLENXYBX-UHFFFAOYSA-N 0 3 311.381 3.011 20 30 DGEDHN C#CC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000895383501 618776809 /nfs/dbraw/zinc/77/68/09/618776809.db2.gz WTAGQDSSIDTGLU-UHFFFAOYSA-N 0 3 307.393 3.019 20 30 DGEDHN C#CC1(O)CCN(Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000895383357 618776961 /nfs/dbraw/zinc/77/69/61/618776961.db2.gz UPCVPKINUSVAGJ-UHFFFAOYSA-N 0 3 313.372 3.354 20 30 DGEDHN N#Cc1ccc2nc(N[C@@H]3CCCN4CCSC[C@@H]34)ccc2c1 ZINC000895568398 618801648 /nfs/dbraw/zinc/80/16/48/618801648.db2.gz WMLSKFHPFCUYMF-SJORKVTESA-N 0 3 324.453 3.098 20 30 DGEDHN N#Cc1ccc2nc(N[C@@H]3CCCN4CCSC[C@H]34)ccc2c1 ZINC000895568393 618801748 /nfs/dbraw/zinc/80/17/48/618801748.db2.gz WMLSKFHPFCUYMF-IAGOWNOFSA-N 0 3 324.453 3.098 20 30 DGEDHN C#CCC1(O)CCN(C/C(C)=C\c2ccccc2COC)CC1 ZINC000895670836 618816404 /nfs/dbraw/zinc/81/64/04/618816404.db2.gz WGHNSIARYJVIQP-VKAVYKQESA-N 0 3 313.441 3.087 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000895834882 618839762 /nfs/dbraw/zinc/83/97/62/618839762.db2.gz TYJIZXAVQNRMHR-UHFFFAOYSA-N 0 3 317.429 3.139 20 30 DGEDHN C=CCC1(O)CCN(Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000895836234 618840017 /nfs/dbraw/zinc/84/00/17/618840017.db2.gz ZLGDVGKYYFOTCE-UHFFFAOYSA-N 0 3 311.429 3.288 20 30 DGEDHN COc1ccc(C2=NO[C@H](CN[C@@H](C)CC(C)(C)C#N)C2)cc1 ZINC000895979048 618857407 /nfs/dbraw/zinc/85/74/07/618857407.db2.gz YELXPZDKWMBFAT-BBRMVZONSA-N 0 3 315.417 3.106 20 30 DGEDHN C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000896586239 618931011 /nfs/dbraw/zinc/93/10/11/618931011.db2.gz YDWOIFYREPJITN-INIZCTEOSA-N 0 3 324.428 3.075 20 30 DGEDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896651740 618941277 /nfs/dbraw/zinc/94/12/77/618941277.db2.gz XJFCISYTOGETDQ-INIZCTEOSA-N 0 3 322.412 3.044 20 30 DGEDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896651740 618941278 /nfs/dbraw/zinc/94/12/78/618941278.db2.gz XJFCISYTOGETDQ-INIZCTEOSA-N 0 3 322.412 3.044 20 30 DGEDHN Cc1sccc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896653039 618941582 /nfs/dbraw/zinc/94/15/82/618941582.db2.gz HLVPVYLLLBOJTI-MRXNPFEDSA-N 0 3 312.442 3.400 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896925767 618986840 /nfs/dbraw/zinc/98/68/40/618986840.db2.gz PDHQEUJJUBQHHN-WBVHZDCISA-N 0 3 311.429 3.028 20 30 DGEDHN COCCOc1cc(C)ccc1CN[C@H](C)CC(C)(C)C#N ZINC000925254128 619096122 /nfs/dbraw/zinc/09/61/22/619096122.db2.gz MYBNMVZUSLQKFK-OAHLLOKOSA-N 0 3 304.434 3.438 20 30 DGEDHN O=C1C=COC2(CCN(Cc3ccc4cnccc4c3)CC2)C1 ZINC000897599552 619165322 /nfs/dbraw/zinc/16/53/22/619165322.db2.gz PXHRLNXBUNBNMX-UHFFFAOYSA-N 0 3 308.381 3.073 20 30 DGEDHN O=C1C=COC2(CCN(Cc3ccnc4ccccc34)CC2)C1 ZINC000897602907 619165537 /nfs/dbraw/zinc/16/55/37/619165537.db2.gz ZSUJVEWPQZXGIE-UHFFFAOYSA-N 0 3 308.381 3.073 20 30 DGEDHN CCOC(=O)C(C)(C)CCC[C@H](C)NCc1nc(C#N)cs1 ZINC000897629085 619168955 /nfs/dbraw/zinc/16/89/55/619168955.db2.gz FWMVGRLRFXOQEG-LBPRGKRZSA-N 0 3 323.462 3.252 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCCN(C)Cc2ccncc2)CC1 ZINC000897780176 619181702 /nfs/dbraw/zinc/18/17/02/619181702.db2.gz WATYDBBHDRKUHL-UHFFFAOYSA-N 0 3 315.461 3.108 20 30 DGEDHN Cn1nc(CNC2CCC(C)(C#N)CC2)cc1C(F)(F)F ZINC000898021023 619207124 /nfs/dbraw/zinc/20/71/24/619207124.db2.gz RDIHAYYZUWPDSN-UHFFFAOYSA-N 0 3 300.328 3.001 20 30 DGEDHN C[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(C#N)cc1F ZINC000926964330 619253254 /nfs/dbraw/zinc/25/32/54/619253254.db2.gz RIFBIAICYMWUHS-IINYFYTJSA-N 0 3 317.330 3.231 20 30 DGEDHN CC(C)[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000927067376 619261443 /nfs/dbraw/zinc/26/14/43/619261443.db2.gz GGQGTSHPHUXEIC-YVEFUNNKSA-N 0 3 300.381 3.479 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(F)c2)CC1 ZINC000899469729 619344478 /nfs/dbraw/zinc/34/44/78/619344478.db2.gz YUZGLJMWGGDBCS-UHFFFAOYSA-N 0 3 307.438 3.153 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC000901691569 619534311 /nfs/dbraw/zinc/53/43/11/619534311.db2.gz AEOBEGDEVFULKL-OIISXLGYSA-N 0 3 308.466 3.039 20 30 DGEDHN COc1ccc(OCCCN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902764301 619672734 /nfs/dbraw/zinc/67/27/34/619672734.db2.gz BMRKVDSPXHCREJ-AWEZNQCLSA-N 0 3 311.385 3.082 20 30 DGEDHN C[C@H](COc1ccc(F)cc1F)N[C@H](C)c1cc(C#N)ccn1 ZINC000902766216 619673001 /nfs/dbraw/zinc/67/30/01/619673001.db2.gz ZDCSVBDBGTZGEK-VXGBXAGGSA-N 0 3 317.339 3.350 20 30 DGEDHN Cc1ccc([C@@H](CN[C@@H](C)c2cc(C#N)ccn2)N2CCCC2)o1 ZINC000902783603 619675116 /nfs/dbraw/zinc/67/51/16/619675116.db2.gz GMJONFWIXRCKLO-MAUKXSAKSA-N 0 3 324.428 3.342 20 30 DGEDHN COc1cccc(OCCCN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902870027 619684844 /nfs/dbraw/zinc/68/48/44/619684844.db2.gz AJLOIGHILUIJQR-AWEZNQCLSA-N 0 3 311.385 3.082 20 30 DGEDHN C[C@@H](NCC1([C@H](O)c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902886954 619688540 /nfs/dbraw/zinc/68/85/40/619688540.db2.gz XLGNZBSMZWWHRB-RDTXWAMCSA-N 0 3 307.397 3.118 20 30 DGEDHN CC[C@]1(CN[C@H](C)c2cc(C#N)ccn2)OCCc2ccccc21 ZINC000902992716 619700708 /nfs/dbraw/zinc/70/07/08/619700708.db2.gz LHXVPSHISFNXNC-FOIQADDNSA-N 0 3 321.424 3.482 20 30 DGEDHN CC[C@]1(CN[C@@H](C)c2cc(C#N)ccn2)OCCc2ccccc21 ZINC000902992722 619700906 /nfs/dbraw/zinc/70/09/06/619700906.db2.gz LHXVPSHISFNXNC-MGPUTAFESA-N 0 3 321.424 3.482 20 30 DGEDHN C[C@H](NCC1(C(=O)OC(C)(C)C)CCC1)c1cc(C#N)ccn1 ZINC000903056069 619706946 /nfs/dbraw/zinc/70/69/46/619706946.db2.gz GWJLFEIGVSUHQT-ZDUSSCGKSA-N 0 3 315.417 3.116 20 30 DGEDHN C[C@H](NC[C@@]1(O)CCCC(C)(C)CC1)c1cc(C#N)ccn1 ZINC000903072855 619715406 /nfs/dbraw/zinc/71/54/06/619715406.db2.gz NXKIGGBNXIEMFV-KBXCAEBGSA-N 0 3 301.434 3.325 20 30 DGEDHN CC[C@H](NCC(C)(C)C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000903101586 619716820 /nfs/dbraw/zinc/71/68/20/619716820.db2.gz JLUNTPVTVZIMAM-KBPBESRZSA-N 0 3 309.454 3.304 20 30 DGEDHN C[C@H](N[C@H](CO)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000903290167 619755115 /nfs/dbraw/zinc/75/51/15/619755115.db2.gz SAYGZLQFGUHWDZ-YOEHRIQHSA-N 0 3 312.388 3.342 20 30 DGEDHN C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378183 619768149 /nfs/dbraw/zinc/76/81/49/619768149.db2.gz PEMJDTMLDCPADN-KDOFPFPSSA-N 0 3 324.428 3.002 20 30 DGEDHN C[C@@H]([NH2+][C@@H](CCN(C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378183 619768150 /nfs/dbraw/zinc/76/81/50/619768150.db2.gz PEMJDTMLDCPADN-KDOFPFPSSA-N 0 3 324.428 3.002 20 30 DGEDHN CC(C)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1[N+](=O)[O-] ZINC000905081115 619968441 /nfs/dbraw/zinc/96/84/41/619968441.db2.gz PFEZOKJJEMPREC-MBGMWABPSA-N 0 3 312.329 3.151 20 30 DGEDHN Cc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1OC(F)F ZINC000905083505 619968798 /nfs/dbraw/zinc/96/87/98/619968798.db2.gz DXNDAXQYNCVMEG-NJQKBMNKSA-N 0 3 305.284 3.029 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2nsc3ccccc32)CC1 ZINC000906591705 620106823 /nfs/dbraw/zinc/10/68/23/620106823.db2.gz DWODFLIMSAKIOS-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN CCCCc1ccc([C@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000027367467 620188374 /nfs/dbraw/zinc/18/83/74/620188374.db2.gz RYKQQFPRUWOKCE-LJQANCHMSA-N 0 3 315.461 3.346 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000912174071 620372260 /nfs/dbraw/zinc/37/22/60/620372260.db2.gz RKBZPFMZCAATOW-GOSISDBHSA-N 0 3 312.413 3.148 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000912239828 620374110 /nfs/dbraw/zinc/37/41/10/620374110.db2.gz XJXUKTTVJMFIDZ-NSHDSACASA-N 0 3 304.287 3.467 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Br)ccc1C ZINC000912245557 620375884 /nfs/dbraw/zinc/37/58/84/620375884.db2.gz YKCDGQYUANRBJI-LBPRGKRZSA-N 0 3 311.223 3.380 20 30 DGEDHN C#CCCCCCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000803120010 620449616 /nfs/dbraw/zinc/44/96/16/620449616.db2.gz HGMGPCCBANFQEO-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000153200568 620540075 /nfs/dbraw/zinc/54/00/75/620540075.db2.gz OAZBVEINHNIUHX-NWDGAFQWSA-N 0 3 322.355 3.084 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NOC[C@H]1CCOC1 ZINC000788032651 620558856 /nfs/dbraw/zinc/55/88/56/620558856.db2.gz CMDXYVLJQJGPKD-RBYDMJRISA-N 0 3 300.402 3.337 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C1CC1 ZINC000916409338 620627806 /nfs/dbraw/zinc/62/78/06/620627806.db2.gz FNWWWXPTEPXHJI-CQSZACIVSA-N 0 3 320.506 3.383 20 30 DGEDHN C#CCN(C(=O)N[C@@H]1CCC[C@H]1CCCC)C1CCN(C)CC1 ZINC000916548139 620634650 /nfs/dbraw/zinc/63/46/50/620634650.db2.gz JBKUGQVINTWWRU-SJLPKXTDSA-N 0 3 319.493 3.084 20 30 DGEDHN CC(C)CO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000920790097 620822843 /nfs/dbraw/zinc/82/28/43/620822843.db2.gz OKPAGBLCSHSPPK-FZMZJTMJSA-N 0 3 322.792 3.048 20 30 DGEDHN CC(C)CO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000920790095 620822872 /nfs/dbraw/zinc/82/28/72/620822872.db2.gz OKPAGBLCSHSPPK-BXUZGUMPSA-N 0 3 322.792 3.048 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000113324444 620904517 /nfs/dbraw/zinc/90/45/17/620904517.db2.gz JKWKWKHCOXUDET-AWEZNQCLSA-N 0 3 310.353 3.458 20 30 DGEDHN CCc1nc2ccccc2n1CCNCc1csc(C#N)c1 ZINC000921642197 620923216 /nfs/dbraw/zinc/92/32/16/620923216.db2.gz SBDGXLVORCBJTM-UHFFFAOYSA-N 0 3 310.426 3.322 20 30 DGEDHN Cc1ccc([C@H](CNCc2csc(C#N)c2)N2CCCC2)o1 ZINC000921650484 620927177 /nfs/dbraw/zinc/92/71/77/620927177.db2.gz OBFCDRPZOKNLGW-INIZCTEOSA-N 0 3 315.442 3.448 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2csc(C#N)c2)C1 ZINC000921744335 620943590 /nfs/dbraw/zinc/94/35/90/620943590.db2.gz USIHVLKMTFTZID-ZDUSSCGKSA-N 0 3 321.446 3.109 20 30 DGEDHN CC(C)[C@H](CNCc1csc(C#N)c1)NC(=O)OC(C)(C)C ZINC000921747591 620943723 /nfs/dbraw/zinc/94/37/23/620943723.db2.gz XEABGXZOFNGZNJ-AWEZNQCLSA-N 0 3 323.462 3.259 20 30 DGEDHN CC(C)Oc1cccc([C@@H](O)CNCc2csc(C#N)c2)c1 ZINC000921753458 620944898 /nfs/dbraw/zinc/94/48/98/620944898.db2.gz CPHBKCHDIVJSDD-KRWDZBQOSA-N 0 3 316.426 3.230 20 30 DGEDHN Cn1nc2c(c1CN[C@H](CCCC#N)c1ccccc1)CCC2 ZINC000922144167 620995657 /nfs/dbraw/zinc/99/56/57/620995657.db2.gz CQRRPZFFQGPFDR-QGZVFWFLSA-N 0 3 308.429 3.434 20 30 DGEDHN CC(C)[C@H](CNCc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000922223288 621008588 /nfs/dbraw/zinc/00/85/88/621008588.db2.gz AKQYLQWGHISMFH-AWEZNQCLSA-N 0 3 308.447 3.323 20 30 DGEDHN COC(C)(C)CCNCc1cc(C#N)ccc1Br ZINC000922314348 621022416 /nfs/dbraw/zinc/02/24/16/621022416.db2.gz JWQSZIACHSXFHI-UHFFFAOYSA-N 0 3 311.223 3.225 20 30 DGEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617861 621024851 /nfs/dbraw/zinc/02/48/51/621024851.db2.gz RXRCPMPJAVFJRG-YOEHRIQHSA-N 0 3 312.413 3.228 20 30 DGEDHN Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1C#N ZINC000922758716 621095569 /nfs/dbraw/zinc/09/55/69/621095569.db2.gz HRAADWUMBXIUNN-HNNXBMFYSA-N 0 3 305.381 3.447 20 30 DGEDHN Cc1ccc(CNCc2ccc3c(c2)CCC(=O)N3C)cc1C#N ZINC000922758469 621095594 /nfs/dbraw/zinc/09/55/94/621095594.db2.gz BZMRHAOJXWXDDN-UHFFFAOYSA-N 0 3 319.408 3.066 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922988647 621144385 /nfs/dbraw/zinc/14/43/85/621144385.db2.gz WEQABTAYHZVLGZ-UXHICEINSA-N 0 3 309.409 3.389 20 30 DGEDHN Cc1ccc(O[C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)nc1 ZINC000858036723 621147832 /nfs/dbraw/zinc/14/78/32/621147832.db2.gz GZRUCWDQKXVZLU-CRAIPNDOSA-N 0 3 307.397 3.476 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](CCC)c1cc(C)sc1C ZINC000858404530 621186309 /nfs/dbraw/zinc/18/63/09/621186309.db2.gz SXLXFAZVBCNKCE-HNNXBMFYSA-N 0 3 315.504 3.397 20 30 DGEDHN N#CC(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc2ccccc2n1 ZINC000838783733 621280130 /nfs/dbraw/zinc/28/01/30/621280130.db2.gz UBCWVJLMWGWGQZ-MYPMTAMASA-N 0 3 304.349 3.026 20 30 DGEDHN CC(C)c1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000838790841 621281625 /nfs/dbraw/zinc/28/16/25/621281625.db2.gz KRRUQEZMGNOHRU-QGZVFWFLSA-N 0 3 312.413 3.120 20 30 DGEDHN CO[C@@H]1C[C@H](NCc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000839190509 621346382 /nfs/dbraw/zinc/34/63/82/621346382.db2.gz HAWQVVIZJKQQIK-JKSUJKDBSA-N 0 3 320.820 3.290 20 30 DGEDHN CCN(CC)Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)o1 ZINC000839445768 621375793 /nfs/dbraw/zinc/37/57/93/621375793.db2.gz TXUUOSOAEZMZOR-UONOGXRCSA-N 0 3 304.390 3.361 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000860463857 621407980 /nfs/dbraw/zinc/40/79/80/621407980.db2.gz IUDXBVYPNCSLNP-BBWFWOEESA-N 0 3 312.413 3.114 20 30 DGEDHN CC(C)N1CC(N=Nc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000754261407 621499299 /nfs/dbraw/zinc/49/92/99/621499299.db2.gz WWMWVABFJLENII-JTQLQIEISA-N 0 3 300.328 3.228 20 30 DGEDHN C[C@@H](CN1CCN(c2ccc(C#N)nc2)CC1)c1ccc(F)cc1 ZINC000862422006 621587932 /nfs/dbraw/zinc/58/79/32/621587932.db2.gz NREUPMQUAXHOIB-HNNXBMFYSA-N 0 3 324.403 3.018 20 30 DGEDHN CCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)COC1 ZINC000756277525 621624371 /nfs/dbraw/zinc/62/43/71/621624371.db2.gz WDKSMCQSNSPTAP-JTQLQIEISA-N 0 3 304.346 3.038 20 30 DGEDHN Clc1ccc2c(N=NC3CN4C[C@@H]3CCC4)ccnc2c1 ZINC000863065869 621636748 /nfs/dbraw/zinc/63/67/48/621636748.db2.gz MQSLDXPFBMEATD-NSHDSACASA-N 0 3 300.793 3.382 20 30 DGEDHN CC(=NNc1ccnc(C)c1)c1nc(C(F)(F)F)cs1 ZINC000863159484 621643829 /nfs/dbraw/zinc/64/38/29/621643829.db2.gz TVABBMAHJJKOFB-UHFFFAOYSA-N 0 3 300.309 3.123 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2cc(C)ccc2C)CC1 ZINC000863275712 621659281 /nfs/dbraw/zinc/65/92/81/621659281.db2.gz FKCHDJFNWJEXDG-IBGZPJMESA-N 0 3 312.457 3.216 20 30 DGEDHN COc1cc(CN2CCc3c(CC#N)cccc3C2)c(O)cc1C ZINC000863335824 621663909 /nfs/dbraw/zinc/66/39/09/621663909.db2.gz KEKAEIWSMGQRGZ-UHFFFAOYSA-N 0 3 322.408 3.334 20 30 DGEDHN CC(C)(C)OCCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000756846584 621668245 /nfs/dbraw/zinc/66/82/45/621668245.db2.gz IRMHFMWVYJQHCF-UHFFFAOYSA-N 0 3 320.433 3.079 20 30 DGEDHN CCCCCCN(C)CC(=O)N(C)CCc1cccc(C#N)c1 ZINC000863435624 621673043 /nfs/dbraw/zinc/67/30/43/621673043.db2.gz SKUBOVHCEUWTKZ-UHFFFAOYSA-N 0 3 315.461 3.071 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000864345580 621758848 /nfs/dbraw/zinc/75/88/48/621758848.db2.gz AIMCVYKKVCMJRZ-HNUSORCJSA-N 0 3 302.418 3.225 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2ccnn2C)c([O-])c1 ZINC000864348047 621759462 /nfs/dbraw/zinc/75/94/62/621759462.db2.gz DCKRQQJBBKRRIX-RNEAKCBISA-N 0 3 300.406 3.152 20 30 DGEDHN Cc1ccn(CN[C@H](c2ccccc2)C(C)(C)C)c(=O)c1C#N ZINC000758206550 621766277 /nfs/dbraw/zinc/76/62/77/621766277.db2.gz OWPSJHWAWHEUBM-QGZVFWFLSA-N 0 3 309.413 3.363 20 30 DGEDHN CCCCCCCCCn1cc([C@H](N)C2CCOCC2)nn1 ZINC000864637543 621795055 /nfs/dbraw/zinc/79/50/55/621795055.db2.gz CIVAZAPRRXKQMV-QGZVFWFLSA-N 0 3 308.470 3.455 20 30 DGEDHN Cc1ccccc1CC1CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000759051149 621822012 /nfs/dbraw/zinc/82/20/12/621822012.db2.gz UKHIJUQWADGIKW-HXUWFJFHSA-N 0 3 306.409 3.075 20 30 DGEDHN C=CCN(CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC000759783926 621889311 /nfs/dbraw/zinc/88/93/11/621889311.db2.gz MNMCFVAXRIZEFY-UHFFFAOYSA-N 0 3 304.434 3.242 20 30 DGEDHN C=CCCCCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000805220277 621990864 /nfs/dbraw/zinc/99/08/64/621990864.db2.gz KGDNPRMDGYCSGB-UHFFFAOYSA-N 0 3 322.493 3.274 20 30 DGEDHN CC1(C#N)CCC(NCc2ncc(Br)s2)CC1 ZINC000865849268 622007283 /nfs/dbraw/zinc/00/72/83/622007283.db2.gz NAFTXDKOZYSGTB-UHFFFAOYSA-N 0 3 314.252 3.468 20 30 DGEDHN CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866308026 622090300 /nfs/dbraw/zinc/09/03/00/622090300.db2.gz OQVXLOGVVGONDA-JKSUJKDBSA-N 0 3 315.461 3.282 20 30 DGEDHN C=CCCCCC[C@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000866439674 622118600 /nfs/dbraw/zinc/11/86/00/622118600.db2.gz IJFYEUALXKAXPW-AWEZNQCLSA-N 0 3 306.454 3.313 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1Cc2ccccc2C1 ZINC000763922890 622168948 /nfs/dbraw/zinc/16/89/48/622168948.db2.gz DJXLPTSBXIWYNM-INIZCTEOSA-N 0 3 315.376 3.165 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccsc1 ZINC000121671240 622171532 /nfs/dbraw/zinc/17/15/32/622171532.db2.gz DPMYVDZLJMPIMY-BXUZGUMPSA-N 0 3 304.415 3.009 20 30 DGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765795185 622287778 /nfs/dbraw/zinc/28/77/78/622287778.db2.gz GFNVOYYOVFZKSF-SJORKVTESA-N 0 3 323.481 3.091 20 30 DGEDHN Cc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000122826534 622413477 /nfs/dbraw/zinc/41/34/77/622413477.db2.gz FOWUVHNNWPIHMA-UHFFFAOYSA-N 0 3 323.440 3.476 20 30 DGEDHN Cc1cc(CNCc2ccc(C3OCCO3)cc2)ccc1C#N ZINC000767691771 622415826 /nfs/dbraw/zinc/41/58/26/622415826.db2.gz UIMFATNNLYQXOF-UHFFFAOYSA-N 0 3 308.381 3.202 20 30 DGEDHN CCOC1CC2(C[C@@H]2C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000870162905 622437922 /nfs/dbraw/zinc/43/79/22/622437922.db2.gz PYNSMRNAXQJVJR-YMOZUKEZSA-N 0 3 310.353 3.209 20 30 DGEDHN C#CCOc1ccccc1CN1CCc2ccc(O)cc2CC1 ZINC000769191992 622506937 /nfs/dbraw/zinc/50/69/37/622506937.db2.gz XMEYSCHMNVYBJB-UHFFFAOYSA-N 0 3 307.393 3.005 20 30 DGEDHN C=CC[C@H]1[N@@H+](CCC[N-]C(=O)C(F)(F)F)CCCC1(C)C ZINC000769952436 622581507 /nfs/dbraw/zinc/58/15/07/622581507.db2.gz BPIJDJPDKGZYFM-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CC[C@H]1[N@H+](CCC[N-]C(=O)C(F)(F)F)CCCC1(C)C ZINC000769952436 622581513 /nfs/dbraw/zinc/58/15/13/622581513.db2.gz BPIJDJPDKGZYFM-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CC[C@H]1N(CC(=O)Nc2ccc(O)cc2)CCCC1(C)C ZINC000769953424 622581525 /nfs/dbraw/zinc/58/15/25/622581525.db2.gz MGRCXWWQZZZJQO-MRXNPFEDSA-N 0 3 302.418 3.397 20 30 DGEDHN C#C[C@H]1CC[C@H](N[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000872140546 622830745 /nfs/dbraw/zinc/83/07/45/622830745.db2.gz QKFQFHOKPGHWFI-NIKGAXFTSA-N 0 3 311.404 3.430 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccnc(Cl)c1 ZINC000772959474 622957920 /nfs/dbraw/zinc/95/79/20/622957920.db2.gz PRCQKVZXFRXEHK-GFCCVEGCSA-N 0 3 301.777 3.488 20 30 DGEDHN FC(F)c1ccc(CNCCOC(F)(F)C(F)(F)F)cn1 ZINC000873158972 623056653 /nfs/dbraw/zinc/05/66/53/623056653.db2.gz YFJQNSITUZCBAA-UHFFFAOYSA-N 0 3 320.208 3.281 20 30 DGEDHN CCC[C@@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000873523923 623166853 /nfs/dbraw/zinc/16/68/53/623166853.db2.gz XVGUPCFGEVAREN-CVEARBPZSA-N 0 3 300.402 3.180 20 30 DGEDHN C=CC[C@H](CO)CNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000774826568 623196471 /nfs/dbraw/zinc/19/64/71/623196471.db2.gz KXDQWTRLCSTHOV-AWEZNQCLSA-N 0 3 319.836 3.108 20 30 DGEDHN C#CCNC(=O)CN[C@@H](CCC(C)C)c1ccc(Cl)cc1 ZINC000775146342 623236023 /nfs/dbraw/zinc/23/60/23/623236023.db2.gz NVXHUUJKMLAROQ-INIZCTEOSA-N 0 3 306.837 3.156 20 30 DGEDHN C[C@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cccc(C#N)c1 ZINC000775337304 623255678 /nfs/dbraw/zinc/25/56/78/623255678.db2.gz DBFLAWAMCUANQH-KBXCAEBGSA-N 0 3 321.380 3.234 20 30 DGEDHN C#CC[C@H](NC[C@H](O)COc1c(C)cccc1C)c1ccccc1 ZINC000775398783 623267367 /nfs/dbraw/zinc/26/73/67/623267367.db2.gz LULPTIIUCDDSQR-PMACEKPBSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000775400164 623268393 /nfs/dbraw/zinc/26/83/93/623268393.db2.gz XDNKWOKGFARLAM-IRXDYDNUSA-N 0 3 301.336 3.352 20 30 DGEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000775430692 623274110 /nfs/dbraw/zinc/27/41/10/623274110.db2.gz HMVBBMUCIYRWBI-QGZVFWFLSA-N 0 3 314.335 3.149 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2([C@@H](O)C(C)C)CC2)c([O-])c1 ZINC000775629276 623298303 /nfs/dbraw/zinc/29/83/03/623298303.db2.gz CXQLLSDOEXXIST-HRVJUDJTSA-N 0 3 318.461 3.454 20 30 DGEDHN C[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000776744602 623458885 /nfs/dbraw/zinc/45/88/85/623458885.db2.gz AOORNHGQUPLIAG-QFYYESIMSA-N 0 3 320.314 3.360 20 30 DGEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccn(C)c2)ccc1OC ZINC000125455782 623460997 /nfs/dbraw/zinc/46/09/97/623460997.db2.gz QNCBMWRCLYSDNL-INIZCTEOSA-N 0 3 313.401 3.004 20 30 DGEDHN C[C@H](NCc1n[nH]c(-c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000777574335 623543898 /nfs/dbraw/zinc/54/38/98/623543898.db2.gz IFLIVXFSRTUWQO-LBPRGKRZSA-N 0 3 321.359 3.333 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000778176756 623620600 /nfs/dbraw/zinc/62/06/00/623620600.db2.gz MPAQBYWMTMYVMM-KBPBESRZSA-N 0 3 318.848 3.067 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000876549378 623640905 /nfs/dbraw/zinc/64/09/05/623640905.db2.gz DMEYUZYMAABQAJ-GFCCVEGCSA-N 0 3 310.825 3.401 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000876557755 623643756 /nfs/dbraw/zinc/64/37/56/623643756.db2.gz CYFPLTWDBUDCHW-QMMMGPOBSA-N 0 3 306.765 3.410 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000876573612 623648733 /nfs/dbraw/zinc/64/87/33/623648733.db2.gz WVJFNQDMDFUMJZ-VIFPVBQESA-N 0 3 322.714 3.036 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 ZINC000876583725 623650362 /nfs/dbraw/zinc/65/03/62/623650362.db2.gz OQAYTQWFISNFDR-VHSXEESVSA-N 0 3 313.854 3.066 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000876584977 623651598 /nfs/dbraw/zinc/65/15/98/623651598.db2.gz VAMKNQSXZCHSJE-HNNXBMFYSA-N 0 3 308.809 3.416 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000876586536 623652519 /nfs/dbraw/zinc/65/25/19/623652519.db2.gz JPRKRNKGSMRTHH-DOMZBBRYSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OC1CCCC1 ZINC000876607115 623658340 /nfs/dbraw/zinc/65/83/40/623658340.db2.gz JBLOTFVVWNBAIQ-ZDUSSCGKSA-N 0 3 308.809 3.416 20 30 DGEDHN Cc1cccc([O-])c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000876609762 623659187 /nfs/dbraw/zinc/65/91/87/623659187.db2.gz XINVRYDEFXRFTD-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN Cc1cccc([O-])c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000876609762 623659188 /nfs/dbraw/zinc/65/91/88/623659188.db2.gz XINVRYDEFXRFTD-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000876611749 623659577 /nfs/dbraw/zinc/65/95/77/623659577.db2.gz QHXPDFJYHNWGEG-HZPDHXFCSA-N 0 3 306.837 3.437 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000876616825 623661454 /nfs/dbraw/zinc/66/14/54/623661454.db2.gz BCKNFCFNFMOYGZ-JOYOIKCWSA-N 0 3 320.742 3.353 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000876622973 623662287 /nfs/dbraw/zinc/66/22/87/623662287.db2.gz RZMDATOWAGXUQR-CQSZACIVSA-N 0 3 310.800 3.181 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000876622863 623662391 /nfs/dbraw/zinc/66/23/91/623662391.db2.gz OQUJXJAMNUJBJE-MRXNPFEDSA-N 0 3 306.837 3.285 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000876639484 623666974 /nfs/dbraw/zinc/66/69/74/623666974.db2.gz GDEOMJZHZNVPFE-LLVKDONJSA-N 0 3 318.751 3.047 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000876643855 623668511 /nfs/dbraw/zinc/66/85/11/623668511.db2.gz OSDONPIYOGLRKK-JTQLQIEISA-N 0 3 305.230 3.470 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cccc(C)c2)CCCC1 ZINC000876644414 623668517 /nfs/dbraw/zinc/66/85/17/623668517.db2.gz GCVRYVIKDVQVFB-OAHLLOKOSA-N 0 3 306.837 3.350 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCCC)Cc1ccccc1F ZINC000876646874 623669619 /nfs/dbraw/zinc/66/96/19/623669619.db2.gz YUTRZUGIWRETPO-HNNXBMFYSA-N 0 3 312.816 3.424 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000876659061 623673360 /nfs/dbraw/zinc/67/33/60/623673360.db2.gz MJRQVBYQXMWGPV-GXTWGEPZSA-N 0 3 313.228 3.126 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)C(C)(C)c1ccccc1 ZINC000876679516 623680335 /nfs/dbraw/zinc/68/03/35/623680335.db2.gz QSKSCCATUADHNM-GJZGRUSLSA-N 0 3 308.853 3.329 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN(CCCO)Cc1ccccc1 ZINC000876692493 623684090 /nfs/dbraw/zinc/68/40/90/623684090.db2.gz USZIIQSVKQPVFU-UHFFFAOYSA-N 0 3 323.440 3.009 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1sc(C)nc1CC(C)C ZINC000876692506 623684095 /nfs/dbraw/zinc/68/40/95/623684095.db2.gz UWRQMPBLNKVOFR-JTQLQIEISA-N 0 3 301.843 3.058 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000876703839 623686570 /nfs/dbraw/zinc/68/65/70/623686570.db2.gz IVRWZXQLZMUYAW-WDEREUQCSA-N 0 3 312.763 3.084 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000876880467 623734691 /nfs/dbraw/zinc/73/46/91/623734691.db2.gz JQHGCDDOUSHUTE-IRXDYDNUSA-N 0 3 320.864 3.470 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000779160992 623737350 /nfs/dbraw/zinc/73/73/50/623737350.db2.gz FBVRTBLGAUDDBF-GJZGRUSLSA-N 0 3 319.832 3.210 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1oc2c(cccc2C)c1C ZINC000876947483 623752156 /nfs/dbraw/zinc/75/21/56/623752156.db2.gz AVXVGLDQPWTOLP-CQSZACIVSA-N 0 3 320.820 3.478 20 30 DGEDHN COCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000126258839 623755710 /nfs/dbraw/zinc/75/57/10/623755710.db2.gz SKIGVPIDQDXICL-MRXNPFEDSA-N 0 3 324.380 3.304 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000876994549 623762069 /nfs/dbraw/zinc/76/20/69/623762069.db2.gz JAZNRRCMWZKUSU-JTQLQIEISA-N 0 3 323.849 3.118 20 30 DGEDHN CCOc1ccccc1CCNCc1cc(C#N)cnc1Cl ZINC000877023968 623768318 /nfs/dbraw/zinc/76/83/18/623768318.db2.gz LPGNGIQMHYQAPA-UHFFFAOYSA-N 0 3 315.804 3.338 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC000877027564 623768937 /nfs/dbraw/zinc/76/89/37/623768937.db2.gz OZIPEBLJJLHYLC-JTQLQIEISA-N 0 3 303.189 3.065 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000877030639 623769552 /nfs/dbraw/zinc/76/95/52/623769552.db2.gz JLDYTXQKKBWZNB-CABCVRRESA-N 0 3 306.837 3.251 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000877090071 623789093 /nfs/dbraw/zinc/78/90/93/623789093.db2.gz ZHPIMRYCZWOTPW-BBWFWOEESA-N 0 3 309.800 3.282 20 30 DGEDHN CCOc1cccc(CCNCc2cc(C#N)cnc2Cl)c1 ZINC000877117202 623794870 /nfs/dbraw/zinc/79/48/70/623794870.db2.gz ODIBXGVBIWIZHM-UHFFFAOYSA-N 0 3 315.804 3.338 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(Cc1ccccc1)C(C)C ZINC000877198579 623825697 /nfs/dbraw/zinc/82/56/97/623825697.db2.gz JYBBETMFNYPPMX-DOTOQJQBSA-N 0 3 308.853 3.230 20 30 DGEDHN CC/C(C)=C(/C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000779936520 623836501 /nfs/dbraw/zinc/83/65/01/623836501.db2.gz NVXQJYLJFYHILV-NXVVXOECSA-N 0 3 313.445 3.195 20 30 DGEDHN CC1(C)C[C@@H](NN=C2CCCC[C@H]2N2CCCCC2)CCO1 ZINC000780240324 623888749 /nfs/dbraw/zinc/88/87/49/623888749.db2.gz BLMJZJXKXJAWPA-DOTOQJQBSA-N 0 3 307.482 3.318 20 30 DGEDHN CC1(C)C[C@H](NN=C2CCCC[C@H]2N2CCCCC2)CCO1 ZINC000780240325 623888797 /nfs/dbraw/zinc/88/87/97/623888797.db2.gz BLMJZJXKXJAWPA-NVXWUHKLSA-N 0 3 307.482 3.318 20 30 DGEDHN C#C[C@H](N[C@@H](C)C[C@@H]1CCCC(=O)N1)c1ccc(Cl)cc1 ZINC000877541221 623934211 /nfs/dbraw/zinc/93/42/11/623934211.db2.gz MCEFQQUAFFJWIL-RCBQFDQVSA-N 0 3 304.821 3.051 20 30 DGEDHN C#C[C@H](N[C@H](C)C[C@@H]1CCCC(=O)N1)c1ccc(Cl)cc1 ZINC000877541217 623934234 /nfs/dbraw/zinc/93/42/34/623934234.db2.gz MCEFQQUAFFJWIL-KCXAZCMYSA-N 0 3 304.821 3.051 20 30 DGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)c1ccccn1 ZINC000877559413 623941526 /nfs/dbraw/zinc/94/15/26/623941526.db2.gz WQZFYAQPZXHVTQ-UHFFFAOYSA-N 0 3 300.793 3.069 20 30 DGEDHN COc1ccc(CN2CC[C@H](c3nc(C)cs3)C2)cc1C#N ZINC000877814374 624047941 /nfs/dbraw/zinc/04/79/41/624047941.db2.gz XNZXUBOKQTYTGE-AWEZNQCLSA-N 0 3 313.426 3.321 20 30 DGEDHN C#C[C@H]1CC[C@H](NCc2nnn(-c3ccccc3)c2C2CC2)CC1 ZINC000877834361 624062462 /nfs/dbraw/zinc/06/24/62/624062462.db2.gz RZCPIMNFBHKFDO-JCNLHEQBSA-N 0 3 320.440 3.426 20 30 DGEDHN COc1cccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000781421143 624068901 /nfs/dbraw/zinc/06/89/01/624068901.db2.gz FJSRFMKRVOVTCU-KPZWWZAWSA-N 0 3 314.360 3.090 20 30 DGEDHN CSC[C@@H]1CCCN1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878199456 624213022 /nfs/dbraw/zinc/21/30/22/624213022.db2.gz AOLSJKLSAGCJBP-ROUUACIJSA-N 0 3 316.470 3.254 20 30 DGEDHN CSC[C@@H]1CCCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878199457 624213106 /nfs/dbraw/zinc/21/31/06/624213106.db2.gz AOLSJKLSAGCJBP-ZWKOTPCHSA-N 0 3 316.470 3.254 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CC3(CC#N)CC3)C2)C1 ZINC000878433814 624277542 /nfs/dbraw/zinc/27/75/42/624277542.db2.gz CHMMGIFEPQFWMN-GOSISDBHSA-N 0 3 319.449 3.013 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1cccc2ccccc21 ZINC000783289488 624335302 /nfs/dbraw/zinc/33/53/02/624335302.db2.gz MOEXDTRQCANTDI-GOSISDBHSA-N 0 3 317.454 3.481 20 30 DGEDHN CC(C)[C@@H](COCc1ccccc1)NCc1ccc(C#N)cn1 ZINC000783292816 624335351 /nfs/dbraw/zinc/33/53/51/624335351.db2.gz BTIOAXXUYHVLEB-LJQANCHMSA-N 0 3 309.413 3.284 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cn1)c1cc2c(cc1O)CCCC2 ZINC000783301004 624336669 /nfs/dbraw/zinc/33/66/69/624336669.db2.gz RWPASLNSDOSTPJ-ZDUSSCGKSA-N 0 3 307.397 3.388 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](CC1CCC1)c1ccccc1 ZINC000783531490 624362764 /nfs/dbraw/zinc/36/27/64/624362764.db2.gz IWVKANLWHJYDFU-KRWDZBQOSA-N 0 3 307.459 3.108 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000783532367 624362821 /nfs/dbraw/zinc/36/28/21/624362821.db2.gz QPNCOSMVMIPRQK-OAHLLOKOSA-N 0 3 315.866 3.228 20 30 DGEDHN CC(C)(C)OC(=O)CCNN=C1CCCC[C@H]1N1CCCCC1 ZINC000783864330 624402317 /nfs/dbraw/zinc/40/23/17/624402317.db2.gz UKJJEPIVCYULTK-MRXNPFEDSA-N 0 3 323.481 3.092 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879242961 624459356 /nfs/dbraw/zinc/45/93/56/624459356.db2.gz HNRVKXYPAZZHKW-ICSRJNTNSA-N 0 3 322.408 3.265 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879242962 624459373 /nfs/dbraw/zinc/45/93/73/624459373.db2.gz HNRVKXYPAZZHKW-QUCCMNQESA-N 0 3 322.408 3.265 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1F ZINC000879246798 624462213 /nfs/dbraw/zinc/46/22/13/624462213.db2.gz XWMAMOCBHOBICV-MOPGFXCFSA-N 0 3 310.372 3.395 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@H](O)c1c(F)cccc1F ZINC000879434932 624546967 /nfs/dbraw/zinc/54/69/67/624546967.db2.gz QPAJXPWJBCFVLM-KRWDZBQOSA-N 0 3 316.351 3.044 20 30 DGEDHN COc1cccc([C@H]2CN(Cc3ccc(C#N)cc3C)CCN2)c1 ZINC000879524453 624576929 /nfs/dbraw/zinc/57/69/29/624576929.db2.gz KRDFTVLFAVWYNY-HXUWFJFHSA-N 0 3 321.424 3.022 20 30 DGEDHN COc1ccc(C#N)cc1CNC1([C@H]2CCCCO2)CCC1 ZINC000879735296 624657355 /nfs/dbraw/zinc/65/73/55/624657355.db2.gz WIVJUNLQOHCWCH-QGZVFWFLSA-N 0 3 300.402 3.148 20 30 DGEDHN CC(C)C[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533372 624913407 /nfs/dbraw/zinc/91/34/07/624913407.db2.gz DLQIPISGMIHSOC-SWLSCSKDSA-N 0 3 320.820 3.347 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC(C)(C)C)c1 ZINC000786542648 624916664 /nfs/dbraw/zinc/91/66/64/624916664.db2.gz VAXKAOVXZHWQGJ-OAHLLOKOSA-N 0 3 300.402 3.146 20 30 DGEDHN C=CCCC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000880389167 624948604 /nfs/dbraw/zinc/94/86/04/624948604.db2.gz DJNJZSFYISAKOU-KRWDZBQOSA-N 0 3 311.429 3.236 20 30 DGEDHN C#CCOc1ccccc1OCCN(C)Cc1ccc(F)cc1 ZINC000786742293 624949599 /nfs/dbraw/zinc/94/95/99/624949599.db2.gz UQBIYRDUETULOH-UHFFFAOYSA-N 0 3 313.372 3.349 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC2(CCCCO2)CC1 ZINC000880456344 624960255 /nfs/dbraw/zinc/96/02/55/624960255.db2.gz KBSJSYRVASZSLF-UHFFFAOYSA-N 0 3 300.402 3.102 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787072196 624976123 /nfs/dbraw/zinc/97/61/23/624976123.db2.gz FQNKLAWFPOHWFO-DOTOQJQBSA-N 0 3 314.429 3.426 20 30 DGEDHN COc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1C#N ZINC000787769526 625048494 /nfs/dbraw/zinc/04/84/94/625048494.db2.gz HEUCYQAVIKJPIG-LJQANCHMSA-N 0 3 324.424 3.416 20 30 DGEDHN C[C@H](CCC#N)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000787775008 625048935 /nfs/dbraw/zinc/04/89/35/625048935.db2.gz JPIUBTFZLOYXEO-QLFBSQMISA-N 0 3 309.454 3.256 20 30 DGEDHN N#CCCCCCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000805874305 625262465 /nfs/dbraw/zinc/26/24/65/625262465.db2.gz CEHOPGOPMLUBKZ-QGZVFWFLSA-N 0 3 300.402 3.278 20 30 DGEDHN C#CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000796632596 626067700 /nfs/dbraw/zinc/06/77/00/626067700.db2.gz MTSKDEQVJDHMIZ-UHFFFAOYSA-N 0 3 317.392 3.022 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC000796638139 626068565 /nfs/dbraw/zinc/06/85/65/626068565.db2.gz YTWCWTAPWKEPAW-JSGCOSHPSA-N 0 3 320.339 3.332 20 30 DGEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)C1CCOCC1 ZINC000796653968 626070545 /nfs/dbraw/zinc/07/05/45/626070545.db2.gz KHWRBMRLBBHEBC-ZDUSSCGKSA-N 0 3 312.369 3.457 20 30 DGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC(F)F)cc1 ZINC000796793811 626083577 /nfs/dbraw/zinc/08/35/77/626083577.db2.gz VAZRFVWEUYWMSU-ZWNOBZJWSA-N 0 3 324.327 3.087 20 30 DGEDHN CCN1CCCC[C@@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567958 626153917 /nfs/dbraw/zinc/15/39/17/626153917.db2.gz DJDOZDVMOUKEMI-QWHCGFSZSA-N 0 3 319.474 3.491 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1occc1Br ZINC000797878114 626176438 /nfs/dbraw/zinc/17/64/38/626176438.db2.gz MTFOGUZENMIQTQ-GXFFZTMASA-N 0 3 300.196 3.113 20 30 DGEDHN CC(C)[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)N(C)C ZINC000798813919 626247605 /nfs/dbraw/zinc/24/76/05/626247605.db2.gz AQCHOZZZWWZNLG-FZMZJTMJSA-N 0 3 301.415 3.059 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3cc4ccccc4[nH]3)CC2)C1=O ZINC000799116440 626273777 /nfs/dbraw/zinc/27/37/77/626273777.db2.gz KUIPUAIXCAEOJT-IBGZPJMESA-N 0 3 323.440 3.134 20 30 DGEDHN CCOCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000799609453 626312536 /nfs/dbraw/zinc/31/25/36/626312536.db2.gz PHGCYUVEAMZTJO-NSHDSACASA-N 0 3 318.373 3.428 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000800385136 626354995 /nfs/dbraw/zinc/35/49/95/626354995.db2.gz SJXCDXUMUBYBBG-OCCSQVGLSA-N 0 3 320.339 3.468 20 30 DGEDHN O=C(OCC#Cc1cccc(Cl)c1)C1CCN(C2CC2)CC1 ZINC000801872185 626423797 /nfs/dbraw/zinc/42/37/97/626423797.db2.gz XGXIJDBUBPQVTQ-UHFFFAOYSA-N 0 3 317.816 3.109 20 30 DGEDHN C[C@H](C#N)OCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000801929632 626426246 /nfs/dbraw/zinc/42/62/46/626426246.db2.gz RBRSEVOUCIKDHK-KGLIPLIRSA-N 0 3 319.474 3.130 20 30 DGEDHN COc1ccc2oc([C@H](C)NCCO[C@@H](C)C#N)c(C)c2c1 ZINC000801940826 626427364 /nfs/dbraw/zinc/42/73/64/626427364.db2.gz FWHNEEPNBZJSHM-AAEUAGOBSA-N 0 3 302.374 3.329 20 30 DGEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)Nc1ccccc1 ZINC000802043062 626429713 /nfs/dbraw/zinc/42/97/13/626429713.db2.gz PIMAZOUGQUOIDT-GFCCVEGCSA-N 0 3 318.785 3.292 20 30 DGEDHN C[C@H](C#N)OCCN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000802740308 626569097 /nfs/dbraw/zinc/56/90/97/626569097.db2.gz JDQUZJVAWAYPJU-WBMJQRKESA-N 0 3 304.390 3.495 20 30 DGEDHN C=CCC[C@@H](NCc1snnc1C)[C@@H]1Cc2ccccc2O1 ZINC000883224940 626614874 /nfs/dbraw/zinc/61/48/74/626614874.db2.gz VZNDOSIOWJCXFP-ZBFHGGJFSA-N 0 3 315.442 3.275 20 30 DGEDHN C=CCCC[C@H](NCCS(=O)(=O)C1CC1)c1ccccc1 ZINC000883229571 626616914 /nfs/dbraw/zinc/61/69/14/626616914.db2.gz MROPFHGSCHRPCD-KRWDZBQOSA-N 0 3 307.459 3.251 20 30 DGEDHN C=CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000807401744 626755573 /nfs/dbraw/zinc/75/55/73/626755573.db2.gz UWLOMOCPPVGMPI-WBVHZDCISA-N 0 3 303.450 3.284 20 30 DGEDHN CCCCC[C@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884417533 626878336 /nfs/dbraw/zinc/87/83/36/626878336.db2.gz KIQJXIOASRHUKV-VIHIWDAPSA-N 0 3 317.477 3.087 20 30 DGEDHN C#Cc1ccc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000809642497 626931968 /nfs/dbraw/zinc/93/19/68/626931968.db2.gz JMNYLSYTVOVLHY-UHFFFAOYSA-N 0 3 323.411 3.377 20 30 DGEDHN C#C[C@@H](C)NCc1ccc(OC(F)F)c(Br)c1 ZINC000809683146 626935337 /nfs/dbraw/zinc/93/53/37/626935337.db2.gz RBJVDEILWMPBRV-MRVPVSSYSA-N 0 3 304.134 3.162 20 30 DGEDHN C#C[C@H](CC)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000809686526 626936041 /nfs/dbraw/zinc/93/60/41/626936041.db2.gz XMTZAVFEBQNJQX-QGZVFWFLSA-N 0 3 322.408 3.449 20 30 DGEDHN COc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccc1C#N ZINC000810168729 626983572 /nfs/dbraw/zinc/98/35/72/626983572.db2.gz KOKWDFVFEVKISH-CQSZACIVSA-N 0 3 321.380 3.148 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000810251579 626992658 /nfs/dbraw/zinc/99/26/58/626992658.db2.gz YOGMRSIJMCWSDP-HNNXBMFYSA-N 0 3 320.392 3.430 20 30 DGEDHN C=C(CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000810734192 627043301 /nfs/dbraw/zinc/04/33/01/627043301.db2.gz WUSDKMSKXZYYMM-GOSISDBHSA-N 0 3 304.409 3.029 20 30 DGEDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(C#N)CCC1 ZINC000886027118 627087709 /nfs/dbraw/zinc/08/77/09/627087709.db2.gz COTDKYXAVOVEJN-INIZCTEOSA-N 0 3 302.418 3.049 20 30 DGEDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(C#N)CCC1 ZINC000886027118 627087711 /nfs/dbraw/zinc/08/77/11/627087711.db2.gz COTDKYXAVOVEJN-INIZCTEOSA-N 0 3 302.418 3.049 20 30 DGEDHN C=C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000136879839 627104213 /nfs/dbraw/zinc/10/42/13/627104213.db2.gz UQSMBLLDTBQOJI-PBHICJAKSA-N 0 3 310.397 3.114 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136920545 627104245 /nfs/dbraw/zinc/10/42/45/627104245.db2.gz ZPXPAKGWUOFUFD-GOSISDBHSA-N 0 3 312.369 3.316 20 30 DGEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000886111915 627106865 /nfs/dbraw/zinc/10/68/65/627106865.db2.gz LACFIBAVFHPLJJ-BBRMVZONSA-N 0 3 308.372 3.450 20 30 DGEDHN CC1=C(c2ccco2)CN(C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886191953 627119559 /nfs/dbraw/zinc/11/95/59/627119559.db2.gz ANYZYXGYQADANR-OAHLLOKOSA-N 0 3 300.402 3.204 20 30 DGEDHN COC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000886209480 627121504 /nfs/dbraw/zinc/12/15/04/627121504.db2.gz NSYOTSVIPGELQU-CVEARBPZSA-N 0 3 322.836 3.062 20 30 DGEDHN N#CCc1cccc2c1CCN(C[C@H]1CCC3(CCC3)CO1)C2 ZINC000886302234 627133505 /nfs/dbraw/zinc/13/35/05/627133505.db2.gz IGRGNTAZQYJMEY-GOSISDBHSA-N 0 3 310.441 3.460 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886333874 627139079 /nfs/dbraw/zinc/13/90/79/627139079.db2.gz OBFBQNXZPXGQRE-AYBZRNKSSA-N 0 3 317.429 3.068 20 30 DGEDHN C#CC[C@H]1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886359475 627142543 /nfs/dbraw/zinc/14/25/43/627142543.db2.gz CWBJKRPQUAUXPI-KBPBESRZSA-N 0 3 311.385 3.151 20 30 DGEDHN C#CCC1(NCc2nc(-c3ccccc3)cs2)CCOCC1 ZINC000886381861 627145299 /nfs/dbraw/zinc/14/52/99/627145299.db2.gz VOVNBARRCPMUGU-UHFFFAOYSA-N 0 3 312.438 3.472 20 30 DGEDHN C#CCN(C(=O)CC[C@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000886579703 627167005 /nfs/dbraw/zinc/16/70/05/627167005.db2.gz FWBYNFNIXUEMJS-KRWDZBQOSA-N 0 3 312.457 3.126 20 30 DGEDHN C#CCN(C(=O)CC[C@@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000886579704 627167171 /nfs/dbraw/zinc/16/71/71/627167171.db2.gz FWBYNFNIXUEMJS-QGZVFWFLSA-N 0 3 312.457 3.126 20 30 DGEDHN COc1cc2c(cc1O)CCN(CCCCC(C)(C)C#N)C2 ZINC000887106825 627226126 /nfs/dbraw/zinc/22/61/26/627226126.db2.gz ORPBJWGPRUYWAE-UHFFFAOYSA-N 0 3 302.418 3.479 20 30 DGEDHN COc1cccc(O)c1/C=N\[C@@H]1CCN(Cc2ccccc2)C1 ZINC000812396401 627377545 /nfs/dbraw/zinc/37/75/45/627377545.db2.gz RVSRBXWVSMLQHI-SDLDRHLBSA-N 0 3 310.397 3.094 20 30 DGEDHN CCC#C[C@@H](C)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000812857945 627430465 /nfs/dbraw/zinc/43/04/65/627430465.db2.gz VSGLKRJDRYNQMU-BEFAXECRSA-N 0 3 301.430 3.243 20 30 DGEDHN C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)C1CCN(C3CC3)CC1)C2(C)C ZINC000813092215 627448431 /nfs/dbraw/zinc/44/84/31/627448431.db2.gz GTFLMRYLKKWLDM-PVAVHDDUSA-N 0 3 303.446 3.395 20 30 DGEDHN CCCCCCCCCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889774962 627466225 /nfs/dbraw/zinc/46/62/25/627466225.db2.gz KSQIPCNFBGDXSD-QZTJIDSGSA-N 0 3 324.509 3.185 20 30 DGEDHN CCO[C@@H](CC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215785 627468233 /nfs/dbraw/zinc/46/82/33/627468233.db2.gz BRQVVTMLMFKWAW-PWSUYJOCSA-N 0 3 300.280 3.092 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000815020215 627616656 /nfs/dbraw/zinc/61/66/56/627616656.db2.gz UMTXJJZRMJMEFO-LPHOPBHVSA-N 0 3 320.440 3.045 20 30 DGEDHN C=CCCOCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816469084 627792904 /nfs/dbraw/zinc/79/29/04/627792904.db2.gz SDHAVUASVVJQQK-AEFFLSMTSA-N 0 3 317.429 3.175 20 30 DGEDHN C[C@@H]1[C@@H](OC(=O)c2c[nH]c(C#N)c2)CCCN1Cc1ccccc1 ZINC000816471132 627794078 /nfs/dbraw/zinc/79/40/78/627794078.db2.gz XZRPOOMRGOZHEG-KDOFPFPSSA-N 0 3 323.396 3.096 20 30 DGEDHN C[C@H]1[C@@H](OC(=O)CCCC#N)CCCN1Cc1ccccc1 ZINC000816471461 627794716 /nfs/dbraw/zinc/79/47/16/627794716.db2.gz FWINBIPQUGPQMS-RDJZCZTQSA-N 0 3 300.402 3.277 20 30 DGEDHN CC[C@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925854036 627806218 /nfs/dbraw/zinc/80/62/18/627806218.db2.gz KWSMGFUDWCPLOC-GJZGRUSLSA-N 0 3 311.351 3.283 20 30 DGEDHN CC(=NN[C@@H]1CCC[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000817331992 627884250 /nfs/dbraw/zinc/88/42/50/627884250.db2.gz AUQCDWKPTPKMMZ-RTBURBONSA-N 0 3 315.461 3.294 20 30 DGEDHN Cc1nc(NC(=O)[C@@H](N)CCCC#N)sc1-c1ccccc1 ZINC000818064548 627991446 /nfs/dbraw/zinc/99/14/46/627991446.db2.gz IACGKOZWDRTTHZ-ZDUSSCGKSA-N 0 3 314.414 3.078 20 30 DGEDHN C#CCN(C)CCCNC(=O)CCCc1ccc2ccccc2c1 ZINC000818588795 628039122 /nfs/dbraw/zinc/03/91/22/628039122.db2.gz GWOPRPGXNLRPAC-UHFFFAOYSA-N 0 3 322.452 3.234 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000818592907 628039666 /nfs/dbraw/zinc/03/96/66/628039666.db2.gz FEQJLOVVFWARDF-KRWDZBQOSA-N 0 3 314.473 3.060 20 30 DGEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000818595628 628040788 /nfs/dbraw/zinc/04/07/88/628040788.db2.gz FMHBITPVXJDZKN-QGZVFWFLSA-N 0 3 314.473 3.375 20 30 DGEDHN C#CCN(C)CCCNC(=O)C1(c2cccs2)CCCCC1 ZINC000818606603 628041484 /nfs/dbraw/zinc/04/14/84/628041484.db2.gz YYSOHVUMMGDJBJ-UHFFFAOYSA-N 0 3 318.486 3.021 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000820478038 628263621 /nfs/dbraw/zinc/26/36/21/628263621.db2.gz CQEFLIIDIWZZEO-QZTJIDSGSA-N 0 3 313.445 3.411 20 30 DGEDHN CSC(C)(C)CCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000820857716 628305073 /nfs/dbraw/zinc/30/50/73/628305073.db2.gz ZDKSHNCOCXFLKO-UHFFFAOYSA-N 0 3 321.465 3.351 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000823141851 628530547 /nfs/dbraw/zinc/53/05/47/628530547.db2.gz MINXQOCLVCVEBO-IBGZPJMESA-N 0 3 312.457 3.235 20 30 DGEDHN CC(C)(CCC#N)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824152774 628631951 /nfs/dbraw/zinc/63/19/51/628631951.db2.gz MNDGHHNICARUSL-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN CC(C)(CCC#N)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824152774 628631953 /nfs/dbraw/zinc/63/19/53/628631953.db2.gz MNDGHHNICARUSL-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN CC(C)(CCC#N)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824152774 628631955 /nfs/dbraw/zinc/63/19/55/628631955.db2.gz MNDGHHNICARUSL-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN CC(C)(CCC#N)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824152774 628631958 /nfs/dbraw/zinc/63/19/58/628631958.db2.gz MNDGHHNICARUSL-UHFFFAOYSA-N 0 3 324.432 3.161 20 30 DGEDHN C=C(C)CCNCc1ccccc1I ZINC000824743555 628688352 /nfs/dbraw/zinc/68/83/52/628688352.db2.gz GHTMXLLCTINBBY-UHFFFAOYSA-N 0 3 301.171 3.347 20 30 DGEDHN COC(=O)C1(C#N)CCN(C[C@H](C)CCc2ccccc2)CC1 ZINC000824866754 628701634 /nfs/dbraw/zinc/70/16/34/628701634.db2.gz HROPKCCLNBMBKC-MRXNPFEDSA-N 0 3 314.429 3.034 20 30 DGEDHN C=C(CC)CNCc1cc2ccccc2nc1N1CCOCC1 ZINC000825221022 628738798 /nfs/dbraw/zinc/73/87/98/628738798.db2.gz DRTAQJNHROOSIQ-UHFFFAOYSA-N 0 3 311.429 3.127 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000825225958 628739721 /nfs/dbraw/zinc/73/97/21/628739721.db2.gz CGLYICUYUKOCBP-UHFFFAOYSA-N 0 3 322.387 3.337 20 30 DGEDHN CCC[N@H+](CCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825313553 628748633 /nfs/dbraw/zinc/74/86/33/628748633.db2.gz JQWOLBGVGMETJY-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN CCC[N@@H+](CCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825313553 628748635 /nfs/dbraw/zinc/74/86/35/628748635.db2.gz JQWOLBGVGMETJY-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN CCC[N@H+](CCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825313553 628748638 /nfs/dbraw/zinc/74/86/38/628748638.db2.gz JQWOLBGVGMETJY-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN CCC[N@@H+](CCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825313553 628748640 /nfs/dbraw/zinc/74/86/40/628748640.db2.gz JQWOLBGVGMETJY-UHFFFAOYSA-N 0 3 312.421 3.019 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)ccc2OCOC)C1 ZINC000826945674 628905769 /nfs/dbraw/zinc/90/57/69/628905769.db2.gz AJULZYSWIZCFBG-OAHLLOKOSA-N 0 3 305.418 3.466 20 30 DGEDHN C#C[C@@H](NCc1cc2ccccc2cc1OC)C1CCOCC1 ZINC000827555149 628970110 /nfs/dbraw/zinc/97/01/10/628970110.db2.gz OUPQOVZLOHHXJR-LJQANCHMSA-N 0 3 309.409 3.366 20 30 DGEDHN C#C[C@H](NCc1csc(Br)c1)C1CCOCC1 ZINC000827569730 628972065 /nfs/dbraw/zinc/97/20/65/628972065.db2.gz DXCKAYWRWOKEBC-LBPRGKRZSA-N 0 3 314.248 3.029 20 30 DGEDHN CC(C)CC(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000827870547 628998617 /nfs/dbraw/zinc/99/86/17/628998617.db2.gz JESBNJPUXHDWHV-UHFFFAOYSA-N 0 3 314.429 3.407 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000829774974 629190778 /nfs/dbraw/zinc/19/07/78/629190778.db2.gz WPRADYFUJKFKHE-OWCLPIDISA-N 0 3 316.420 3.127 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000829779394 629191273 /nfs/dbraw/zinc/19/12/73/629191273.db2.gz STHODKXRJOJYNS-HOCLYGCPSA-N 0 3 318.848 3.080 20 30 DGEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000829815282 629197083 /nfs/dbraw/zinc/19/70/83/629197083.db2.gz IUSCNVOIQQGHSI-OAHLLOKOSA-N 0 3 307.397 3.085 20 30 DGEDHN C#CC[C@@H]1CCC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000829815282 629197086 /nfs/dbraw/zinc/19/70/86/629197086.db2.gz IUSCNVOIQQGHSI-OAHLLOKOSA-N 0 3 307.397 3.085 20 30 DGEDHN N#Cc1ccc([C@H](O)CNC2(c3ccccc3F)CCC2)cc1 ZINC000829901603 629206937 /nfs/dbraw/zinc/20/69/37/629206937.db2.gz YKEXGJXVGIEUEC-GOSISDBHSA-N 0 3 310.372 3.400 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000830554538 629283651 /nfs/dbraw/zinc/28/36/51/629283651.db2.gz TWMOFHQWAHLUBO-NSHDSACASA-N 0 3 301.415 3.203 20 30 DGEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000834901624 629802614 /nfs/dbraw/zinc/80/26/14/629802614.db2.gz AIZHYURTLAMCHY-HNNXBMFYSA-N 0 3 320.392 3.475 20 30 DGEDHN C#CC[C@H](OC(=O)c1cccc(CN(C)C)c1)c1ccccn1 ZINC000835131786 629860318 /nfs/dbraw/zinc/86/03/18/629860318.db2.gz GIKZYDBUJOVNQY-SFHVURJKSA-N 0 3 308.381 3.065 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3C(F)(F)F)nc21 ZINC000835174651 629869825 /nfs/dbraw/zinc/86/98/25/629869825.db2.gz VSSHYSGJCPBXMJ-KXUCPTDWSA-N 0 3 307.275 3.246 20 30 DGEDHN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835339074 629909964 /nfs/dbraw/zinc/90/99/64/629909964.db2.gz COWMJXWTLILMOT-BRWVUGGUSA-N 0 3 312.413 3.036 20 30 DGEDHN CN1CCC[C@@H](CNC(=O)C#CC(C)(C)C)[C@H]1c1cccs1 ZINC000837435928 630257432 /nfs/dbraw/zinc/25/74/32/630257432.db2.gz STENPNKMNXOOSV-YOEHRIQHSA-N 0 3 318.486 3.297 20 30 DGEDHN CCc1ccc(C#CC(=O)Nc2ccc(CN(C)C)cc2F)cc1 ZINC000840506647 630334764 /nfs/dbraw/zinc/33/47/64/630334764.db2.gz JEBKNRQQSYQAQY-UHFFFAOYSA-N 0 3 324.399 3.440 20 30 DGEDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1nc(C#N)cs1 ZINC000840977520 630390469 /nfs/dbraw/zinc/39/04/69/630390469.db2.gz VGUTZPCRVYHSAU-CYBMUJFWSA-N 0 3 314.458 3.110 20 30 DGEDHN COCCCON=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841637953 630450482 /nfs/dbraw/zinc/45/04/82/630450482.db2.gz MKASUOKSUURSTL-SFHVURJKSA-N 0 3 302.418 3.395 20 30 DGEDHN c1ccc([C@H]2CC(=NN[C@H]3CCCOC3)CCN2C2CC2)cc1 ZINC000841636893 630450539 /nfs/dbraw/zinc/45/05/39/630450539.db2.gz CWXAFTVODYRDEG-PKOBYXMFSA-N 0 3 313.445 3.111 20 30 DGEDHN CN(C)c1ccc(N2CCC(NCC3(C#N)CCC3)CC2)cc1 ZINC000841898906 630474788 /nfs/dbraw/zinc/47/47/88/630474788.db2.gz QFZRFLALMOOHOC-UHFFFAOYSA-N 0 3 312.461 3.005 20 30 DGEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842287724 630511271 /nfs/dbraw/zinc/51/12/71/630511271.db2.gz DSSOCYHRLLDUMO-CVEARBPZSA-N 0 3 314.385 3.072 20 30 DGEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842289615 630511498 /nfs/dbraw/zinc/51/14/98/630511498.db2.gz FLEPSEMZNUBYDK-RISCZKNCSA-N 0 3 322.792 3.048 20 30 DGEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000842366262 630524373 /nfs/dbraw/zinc/52/43/73/630524373.db2.gz GFJAQDMTENSVPI-AAEUAGOBSA-N 0 3 314.307 3.338 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(F)CC2)cc1 ZINC000842690575 630563685 /nfs/dbraw/zinc/56/36/85/630563685.db2.gz ZJFUUWWMAXPCEQ-SMDDNHRTSA-N 0 3 302.349 3.350 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000842720604 630567661 /nfs/dbraw/zinc/56/76/61/630567661.db2.gz YBDTZVKXNIJSSU-UHFFFAOYSA-N 0 3 304.393 3.445 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@]2(CC2(F)F)C1 ZINC000844436942 630729522 /nfs/dbraw/zinc/72/95/22/630729522.db2.gz JGZKEBYDJRLHKL-INIZCTEOSA-N 0 3 322.355 3.067 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000845447415 631175690 /nfs/dbraw/zinc/17/56/90/631175690.db2.gz CHRIJUFVRBGOOX-IAQYHMDHSA-N 0 3 318.804 3.211 20 30 DGEDHN C#CCCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873363 631200051 /nfs/dbraw/zinc/20/00/51/631200051.db2.gz CXFIDCFYDHJDKJ-BLLLJJGKSA-N 0 3 307.321 3.269 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1 ZINC000846016776 631206462 /nfs/dbraw/zinc/20/64/62/631206462.db2.gz WVSMWBUHXJPCRP-LJQANCHMSA-N 0 3 301.430 3.478 20 30 DGEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)nc1 ZINC000846820803 631318246 /nfs/dbraw/zinc/31/82/46/631318246.db2.gz NGYFPXLASGJOIB-OALUTQOASA-N 0 3 307.397 3.041 20 30 DGEDHN N#Cc1ccc(C2(NC[C@H]3CC4(CCC4)C(=O)O3)CCC2)cc1 ZINC000847056657 631393281 /nfs/dbraw/zinc/39/32/81/631393281.db2.gz FSVGIDKJKNNFPK-MRXNPFEDSA-N 0 3 310.397 3.013 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000847254046 631448437 /nfs/dbraw/zinc/44/84/37/631448437.db2.gz CMWUEDPRPXFWHA-SJORKVTESA-N 0 3 302.462 3.093 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000848398204 631653736 /nfs/dbraw/zinc/65/37/36/631653736.db2.gz RSXFBPNSRUKIIW-BZUAXINKSA-N 0 3 307.482 3.366 20 30 DGEDHN CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H](N)CCCCC#N ZINC000848398027 631653837 /nfs/dbraw/zinc/65/38/37/631653837.db2.gz BSQSPXONBVVYJZ-MRXNPFEDSA-N 0 3 313.445 3.284 20 30 DGEDHN Fc1cc2nc(N=NC3CCCN4CCCC[C@@H]34)[nH]c2cc1F ZINC000848404630 631655039 /nfs/dbraw/zinc/65/50/39/631655039.db2.gz NCQXXMGCZRBYSL-HNNXBMFYSA-N 0 3 319.359 3.257 20 30 DGEDHN COc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c([O-])c1 ZINC000848908067 631781922 /nfs/dbraw/zinc/78/19/22/631781922.db2.gz MMIDBWNGMVQKIH-UHFFFAOYSA-N 0 3 310.397 3.492 20 30 DGEDHN Cc1csc(C(C#N)C(=O)CSc2ncc(C)cc2C)n1 ZINC000849987202 632023028 /nfs/dbraw/zinc/02/30/28/632023028.db2.gz DIGIQIPMIKOFMA-LBPRGKRZSA-N 0 3 317.439 3.432 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(C2OCCO2)s1 ZINC000850342343 632119071 /nfs/dbraw/zinc/11/90/71/632119071.db2.gz POZFTMBQYYIKTM-CHWSQXEVSA-N 0 3 308.447 3.413 20 30 DGEDHN CN(CCC#N)c1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368732 632128054 /nfs/dbraw/zinc/12/80/54/632128054.db2.gz DXRVXMAPIOPOHV-PMACEKPBSA-N 0 3 321.424 3.304 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000850386121 632134895 /nfs/dbraw/zinc/13/48/95/632134895.db2.gz GIYJKPSAWAEENX-DJJJIMSYSA-N 0 3 308.381 3.460 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419140 632146843 /nfs/dbraw/zinc/14/68/43/632146843.db2.gz BWVJFOQIPBYUNC-OXJNMPFZSA-N 0 3 309.409 3.300 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850419434 632147134 /nfs/dbraw/zinc/14/71/34/632147134.db2.gz DXERHFFSKZZJJI-SPYBWZPUSA-N 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/nfs/dbraw/zinc/58/91/22/660589122.db2.gz VWCYOGJQVMJPSV-GASCZTMLSA-N 0 3 310.869 3.100 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC2CC(c3ccccc3)C2)C1 ZINC001033209127 660589883 /nfs/dbraw/zinc/58/98/83/660589883.db2.gz XLWXRGPCMKIIQY-KVZIAJEVSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(F)cc3ccoc32)C1 ZINC001033218939 660591386 /nfs/dbraw/zinc/59/13/86/660591386.db2.gz FAGXIINJPCUZOA-OAHLLOKOSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001033262093 660601292 /nfs/dbraw/zinc/60/12/92/660601292.db2.gz OAGRQBABFLCWQS-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)CC[C@@H]2C1 ZINC000946803809 660606684 /nfs/dbraw/zinc/60/66/84/660606684.db2.gz WROPNJZCWMDHNS-XHSDSOJGSA-N 0 3 322.880 3.100 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033377464 660616291 /nfs/dbraw/zinc/61/62/91/660616291.db2.gz BHUOFFLHZCMXDF-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033357469 660614853 /nfs/dbraw/zinc/61/48/53/660614853.db2.gz GOQUBOFYKHQXFC-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(C(CC)CC)no2)C1 ZINC001033487631 660626685 /nfs/dbraw/zinc/62/66/85/660626685.db2.gz IQVJKVQYVVDLQQ-HNNXBMFYSA-N 0 3 319.449 3.301 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2Cl)C1 ZINC001033443329 660622118 /nfs/dbraw/zinc/62/21/18/660622118.db2.gz NKFZXJUOPJKAIS-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCCC2)C1 ZINC001033484646 660626840 /nfs/dbraw/zinc/62/68/40/660626840.db2.gz TYWJBEVKBXAECI-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033447008 660623034 /nfs/dbraw/zinc/62/30/34/660623034.db2.gz BGQVVUHJECSQDN-LBPRGKRZSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001033475361 660627633 /nfs/dbraw/zinc/62/76/33/660627633.db2.gz QXSOKXLZEQGLLF-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033499413 660628544 /nfs/dbraw/zinc/62/85/44/660628544.db2.gz JZKZUEDWBBBHFQ-CEXWTWQISA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001033565546 660631746 /nfs/dbraw/zinc/63/17/46/660631746.db2.gz MRGQPNWPILAGGR-QWHCGFSZSA-N 0 3 324.877 3.061 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033582835 660633967 /nfs/dbraw/zinc/63/39/67/660633967.db2.gz LKYGCJLCODLMOS-CABCVRRESA-N 0 3 306.475 3.269 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2c(F)cccc2Cl)C1 ZINC001033610906 660639555 /nfs/dbraw/zinc/63/95/55/660639555.db2.gz GKCUEWVACJVBNU-CYBMUJFWSA-N 0 3 324.827 3.130 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001033634270 660642608 /nfs/dbraw/zinc/64/26/08/660642608.db2.gz KRQURULVFXBQPH-DAWZGUTISA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001033648763 660646608 /nfs/dbraw/zinc/64/66/08/660646608.db2.gz OTEJVTXVQZTZEF-KRWDZBQOSA-N 0 3 317.477 3.408 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698261 660651402 /nfs/dbraw/zinc/65/14/02/660651402.db2.gz PDKQMNKSUNLBJY-HKUYNNGSSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033889309 660674460 /nfs/dbraw/zinc/67/44/60/660674460.db2.gz WYYANJGGNZMQDA-QGZVFWFLSA-N 0 3 317.477 3.237 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)ccc2F)C1 ZINC001033890116 660674954 /nfs/dbraw/zinc/67/49/54/660674954.db2.gz KTNMMNKYPNQOOE-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033885779 660675190 /nfs/dbraw/zinc/67/51/90/660675190.db2.gz YDOLJIQKSJKAOY-MRXNPFEDSA-N 0 3 315.461 3.318 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033915990 660677274 /nfs/dbraw/zinc/67/72/74/660677274.db2.gz FXEXRYCLCQMXAO-KRWDZBQOSA-N 0 3 323.440 3.036 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033965635 660686094 /nfs/dbraw/zinc/68/60/94/660686094.db2.gz UUGVSWYMDGRVOH-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C(F)F)nc2)CC1 ZINC001005473247 660681066 /nfs/dbraw/zinc/68/10/66/660681066.db2.gz PXSGQBKBKUJFAJ-UHFFFAOYSA-N 0 3 323.387 3.132 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2C)C1 ZINC001033966962 660686133 /nfs/dbraw/zinc/68/61/33/660686133.db2.gz CJIOICOZVOWWCU-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033934860 660682714 /nfs/dbraw/zinc/68/27/14/660682714.db2.gz YYGJRHYGHIBHSB-QGZVFWFLSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001033952174 660683345 /nfs/dbraw/zinc/68/33/45/660683345.db2.gz PGGIHKDMSBOQJB-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc[nH]c2CCC)C1 ZINC001033939722 660684629 /nfs/dbraw/zinc/68/46/29/660684629.db2.gz HMPUNECHNFOUNC-HNNXBMFYSA-N 0 3 303.450 3.080 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033969016 660686698 /nfs/dbraw/zinc/68/66/98/660686698.db2.gz MWDIDFWVGLAPCL-INIZCTEOSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001033972828 660687216 /nfs/dbraw/zinc/68/72/16/660687216.db2.gz QGJLVTXCWAQAHF-YRXWBPOGSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2Cl)C1 ZINC001033974464 660687678 /nfs/dbraw/zinc/68/76/78/660687678.db2.gz HVGNYLNXUQUCRZ-CYBMUJFWSA-N 0 3 322.811 3.039 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2sc(CC)nc2C)C1 ZINC001033986243 660689524 /nfs/dbraw/zinc/68/95/24/660689524.db2.gz MSBJTBVDVMNVRP-CQSZACIVSA-N 0 3 321.490 3.126 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2Cl)C1 ZINC001033992635 660691097 /nfs/dbraw/zinc/69/10/97/660691097.db2.gz VJWPESAZHJMNKJ-HNNXBMFYSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033992886 660691465 /nfs/dbraw/zinc/69/14/65/660691465.db2.gz ZWJMKOHAGWSLNI-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033996058 660691583 /nfs/dbraw/zinc/69/15/83/660691583.db2.gz AZWRUWAZDRUAFQ-FHWLQOOXSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001034048181 660701894 /nfs/dbraw/zinc/70/18/94/660701894.db2.gz WYIOXOVDUQBGPM-HNNXBMFYSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2C)C1 ZINC001034029750 660695804 /nfs/dbraw/zinc/69/58/04/660695804.db2.gz OUIPWVCJOSVNJB-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034033964 660697085 /nfs/dbraw/zinc/69/70/85/660697085.db2.gz BOOBFLWFCUVGNP-INIZCTEOSA-N 0 3 308.372 3.077 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2Cl)C1 ZINC001034036173 660697450 /nfs/dbraw/zinc/69/74/50/660697450.db2.gz SGWUHIWNBIRRNL-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2oc3ccccc3c2C)C1 ZINC001034036504 660697689 /nfs/dbraw/zinc/69/76/89/660697689.db2.gz SAZMAWKRXFRWJT-MRXNPFEDSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccsc2COC)C1 ZINC001034272832 660731407 /nfs/dbraw/zinc/73/14/07/660731407.db2.gz XCMRADHEGWVKAH-AWEZNQCLSA-N 0 3 322.474 3.055 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001034299378 660734242 /nfs/dbraw/zinc/73/42/42/660734242.db2.gz PLRIRNDYSCRCMM-HNNXBMFYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001034299033 660734262 /nfs/dbraw/zinc/73/42/62/660734262.db2.gz ZYCUJNOPOPTLJO-KRWDZBQOSA-N 0 3 317.477 3.285 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001034307530 660735458 /nfs/dbraw/zinc/73/54/58/660735458.db2.gz YCYFIPSESVYKLE-INIZCTEOSA-N 0 3 322.399 3.323 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001034312287 660736087 /nfs/dbraw/zinc/73/60/87/660736087.db2.gz PBQKBPBMPIVYNC-AEFFLSMTSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1C ZINC000947963582 660736917 /nfs/dbraw/zinc/73/69/17/660736917.db2.gz VBWAHDQAPPVGND-BEFAXECRSA-N 0 3 306.409 3.056 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001034375494 660743429 /nfs/dbraw/zinc/74/34/29/660743429.db2.gz BNQJKBWVILHIMH-CQSZACIVSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034365093 660744720 /nfs/dbraw/zinc/74/47/20/660744720.db2.gz PCZULZAHIOGBSO-HNNXBMFYSA-N 0 3 301.434 3.053 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001034399288 660747711 /nfs/dbraw/zinc/74/77/11/660747711.db2.gz RXKGSVQBFWLOHS-INIZCTEOSA-N 0 3 315.461 3.443 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001034448252 660752625 /nfs/dbraw/zinc/75/26/25/660752625.db2.gz OFLIEWBSVUORAP-GJZGRUSLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001034428987 660749629 /nfs/dbraw/zinc/74/96/29/660749629.db2.gz SKRSCNGTMNIQAI-OTWHNJEPSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001034413078 660750035 /nfs/dbraw/zinc/75/00/35/660750035.db2.gz FNWNPJRPILAMAB-AWEZNQCLSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001034449793 660755388 /nfs/dbraw/zinc/75/53/88/660755388.db2.gz BKGVZLZSVPJAAU-OAHLLOKOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001034468138 660755436 /nfs/dbraw/zinc/75/54/36/660755436.db2.gz GOIVBFJHBWTPQV-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034489835 660758770 /nfs/dbraw/zinc/75/87/70/660758770.db2.gz DTYVHCIXKLDURD-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001034486674 660761812 /nfs/dbraw/zinc/76/18/12/660761812.db2.gz JXTVXEPRGFETGO-HNNXBMFYSA-N 0 3 304.434 3.311 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001034502281 660762722 /nfs/dbraw/zinc/76/27/22/660762722.db2.gz SINJLFSZKTYDRL-WMZOPIPTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001034511700 660764351 /nfs/dbraw/zinc/76/43/51/660764351.db2.gz QOLZJSAZJRYTDN-AWEZNQCLSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001034512000 660764461 /nfs/dbraw/zinc/76/44/61/660764461.db2.gz IINLYALOPYYRAB-CQSZACIVSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001034511999 660764724 /nfs/dbraw/zinc/76/47/24/660764724.db2.gz IINLYALOPYYRAB-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001034540569 660770272 /nfs/dbraw/zinc/77/02/72/660770272.db2.gz IKTCRSRLRIJOIX-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001034545529 660772362 /nfs/dbraw/zinc/77/23/62/660772362.db2.gz VBDVMHWMDKTNND-HNNXBMFYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001034508601 660764050 /nfs/dbraw/zinc/76/40/50/660764050.db2.gz ZAUTWECZMSPXII-ZDUSSCGKSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCN1CCCC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001034563020 660774548 /nfs/dbraw/zinc/77/45/48/660774548.db2.gz HMSYCWHSGPZHOQ-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2nc3ccccc3cc2C)CC1 ZINC001005725905 660794814 /nfs/dbraw/zinc/79/48/14/660794814.db2.gz FZKIWYPKLYZKEY-UHFFFAOYSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(F)ccc2C)CC1 ZINC001005788246 660815567 /nfs/dbraw/zinc/81/55/67/660815567.db2.gz DPOOGHWYVWNRQO-UHFFFAOYSA-N 0 3 304.409 3.247 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC001045650849 660823573 /nfs/dbraw/zinc/82/35/73/660823573.db2.gz QJHIBNNPCHAQAQ-UHFFFAOYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC3(CC3)C1)CC2 ZINC001035704438 660845837 /nfs/dbraw/zinc/84/58/37/660845837.db2.gz ADLQKBPFENGQCS-QGZVFWFLSA-N 0 3 316.489 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC3(CC3)C1)CC2 ZINC001035704436 660845953 /nfs/dbraw/zinc/84/59/53/660845953.db2.gz ADLQKBPFENGQCS-KRWDZBQOSA-N 0 3 316.489 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CCC[C@H]1C)CC2 ZINC001035713875 660846442 /nfs/dbraw/zinc/84/64/42/660846442.db2.gz YKNUYWRZBFDERZ-IAGOWNOFSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@@H](C)C1)CC2 ZINC001035771231 660850684 /nfs/dbraw/zinc/85/06/84/660850684.db2.gz SIVCHWZWLOBBKJ-SJORKVTESA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@H]1C)CC2 ZINC001035781023 660851339 /nfs/dbraw/zinc/85/13/39/660851339.db2.gz LXZRRKXNHMJBKA-IAGOWNOFSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1CC(C)(C)C1)CC2 ZINC001035775437 660853168 /nfs/dbraw/zinc/85/31/68/660853168.db2.gz XIABFTQSXLZKPW-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]13C[C@H]1CCCC3)CC2 ZINC001035788364 660852154 /nfs/dbraw/zinc/85/21/54/660852154.db2.gz FBUXDXWAMHWPTL-VQIMIIECSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc3cc[nH]c31)CC2 ZINC001035801907 660854404 /nfs/dbraw/zinc/85/44/04/660854404.db2.gz MATQXQRTSRLPKJ-UHFFFAOYSA-N 0 3 323.440 3.282 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)CC1CCCCCC1)CC2 ZINC001035804730 660854741 /nfs/dbraw/zinc/85/47/41/660854741.db2.gz ULVQBAJFIXQWSS-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)CC2 ZINC001035829942 660856434 /nfs/dbraw/zinc/85/64/34/660856434.db2.gz KAFXTTLHRMKZST-WMZOPIPTSA-N 0 3 304.478 3.169 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC001035841324 660858040 /nfs/dbraw/zinc/85/80/40/660858040.db2.gz KQBKMZWZFLQRRU-UHFFFAOYSA-N 0 3 316.420 3.248 20 30 DGEDHN CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccc(C#N)s1 ZINC001036497535 660912244 /nfs/dbraw/zinc/91/22/44/660912244.db2.gz XMTZLTSGHLZETC-BBRMVZONSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)c2cccs2)CC1 ZINC001005815911 660940389 /nfs/dbraw/zinc/94/03/89/660940389.db2.gz WPQZNGLMNYBUFJ-UHFFFAOYSA-N 0 3 306.475 3.135 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@@H]1C ZINC000947968195 660947620 /nfs/dbraw/zinc/94/76/20/660947620.db2.gz VBJCABSSSAMIBT-OXJNMPFZSA-N 0 3 320.436 3.446 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc[nH]c2CCC)CC1 ZINC001005861663 660943737 /nfs/dbraw/zinc/94/37/37/660943737.db2.gz YFDKRRDJQRIVDG-UHFFFAOYSA-N 0 3 303.450 3.080 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(OC)cc2Cl)CC1 ZINC001006151429 660966008 /nfs/dbraw/zinc/96/60/08/660966008.db2.gz PHIUMXUOOOKLEG-UHFFFAOYSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(C)cccc2Cl)CC1 ZINC000948747149 660966969 /nfs/dbraw/zinc/96/69/69/660966969.db2.gz PSAGFLWJVBZMOI-OAHLLOKOSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(Cl)cc2)CC1 ZINC001006323639 660974670 /nfs/dbraw/zinc/97/46/70/660974670.db2.gz QMACZYDXUMBGGY-UHFFFAOYSA-N 0 3 306.837 3.453 20 30 DGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@H]1CCCC1(C)C ZINC000794935211 661114805 /nfs/dbraw/zinc/11/48/05/661114805.db2.gz GOFZVAXLSAAEBQ-INIZCTEOSA-N 0 3 311.433 3.265 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000969118397 655524981 /nfs/dbraw/zinc/52/49/81/655524981.db2.gz OECOQKHWSKLDBJ-SLFFLAALSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nc2C)C[C@H]1C ZINC000947365616 655525005 /nfs/dbraw/zinc/52/50/05/655525005.db2.gz PWEIWPKOXMYJQG-PBHICJAKSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC000969132967 655526634 /nfs/dbraw/zinc/52/66/34/655526634.db2.gz GOHBBVAOWKLAMH-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC000969133637 655526983 /nfs/dbraw/zinc/52/69/83/655526983.db2.gz RFXWFGNSFXKEMY-GOSISDBHSA-N 0 3 320.436 3.447 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC000969161004 655529678 /nfs/dbraw/zinc/52/96/78/655529678.db2.gz PFEWZWFMHZPMFO-CQSZACIVSA-N 0 3 319.474 3.181 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)C[C@H]1C ZINC000947371055 655535003 /nfs/dbraw/zinc/53/50/03/655535003.db2.gz XUDSBHRHLKUSEA-SJORKVTESA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001020446290 655537373 /nfs/dbraw/zinc/53/73/73/655537373.db2.gz FOHSFMOJZAVXQT-HDJSIYSDSA-N 0 3 317.820 3.079 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000969691877 655555373 /nfs/dbraw/zinc/55/53/73/655555373.db2.gz ZAXRYKRMEKGECS-CQSZACIVSA-N 0 3 315.461 3.005 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3c2CCCCC3)C1 ZINC000969910229 655563158 /nfs/dbraw/zinc/56/31/58/655563158.db2.gz FEGGBZDFTGXIJY-MRXNPFEDSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3sccc3s2)C1 ZINC000969971609 655565711 /nfs/dbraw/zinc/56/57/11/655565711.db2.gz XYXSKLXJBCXGQV-NSHDSACASA-N 0 3 318.467 3.036 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001020982877 655584729 /nfs/dbraw/zinc/58/47/29/655584729.db2.gz DRLAKJFPMHSTDV-MGCOHNPYSA-N 0 3 319.257 3.313 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000969048988 655585923 /nfs/dbraw/zinc/58/59/23/655585923.db2.gz BTVGLNJXGPQPDJ-SFHVURJKSA-N 0 3 323.440 3.166 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001021132440 655590891 /nfs/dbraw/zinc/59/08/91/655590891.db2.gz BLKNAQAGZRUREA-HAQNSBGRSA-N 0 3 304.777 3.036 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC000970518405 655604027 /nfs/dbraw/zinc/60/40/27/655604027.db2.gz KYHPQNDTNDICDN-OAHLLOKOSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000970651002 655611170 /nfs/dbraw/zinc/61/11/70/655611170.db2.gz AXJZMAZZLUXDGJ-BRWVUGGUSA-N 0 3 306.494 3.461 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCC2CCCC2)C1 ZINC001021508213 655622480 /nfs/dbraw/zinc/62/24/80/655622480.db2.gz HKCMWRGPOVAKME-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)C[C@H]1C ZINC000947409806 655628336 /nfs/dbraw/zinc/62/83/36/655628336.db2.gz XKODYENLSGAPCL-OLZOCXBDSA-N 0 3 324.371 3.132 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3c(s2)CCCC3)C1 ZINC000970842736 655628740 /nfs/dbraw/zinc/62/87/40/655628740.db2.gz JCWJGCXODYFKTB-CYBMUJFWSA-N 0 3 318.486 3.253 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970847838 655629429 /nfs/dbraw/zinc/62/94/29/655629429.db2.gz HFGRXBMJZNGBSQ-MRXNPFEDSA-N 0 3 300.446 3.238 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC000970846965 655629433 /nfs/dbraw/zinc/62/94/33/655629433.db2.gz XUZCLKVDJALMHQ-LBPRGKRZSA-N 0 3 306.475 3.245 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cscc2C)C1 ZINC001021555432 655630673 /nfs/dbraw/zinc/63/06/73/655630673.db2.gz VDQMFORHBOOHGD-WBVHZDCISA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C(C)C)c2)C1 ZINC001021708879 655660226 /nfs/dbraw/zinc/66/02/26/655660226.db2.gz HEEJNSIOOHMIGW-WOJBJXKFSA-N 0 3 324.468 3.370 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C)[C@@H]2C)cc1C ZINC000177869342 655671941 /nfs/dbraw/zinc/67/19/41/655671941.db2.gz DOGDSHMVWRCXER-RDJZCZTQSA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)C[C@H]1C ZINC000947438716 655673698 /nfs/dbraw/zinc/67/36/98/655673698.db2.gz ZEGMMYBLCVVHSW-OLZOCXBDSA-N 0 3 308.372 3.042 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001039379593 655693468 /nfs/dbraw/zinc/69/34/68/655693468.db2.gz YMGPFRWUXXXIHO-OTWHNJEPSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCC1(NCC(=O)N(CCC#N)c2cccc(C)c2C)CCC1 ZINC000933301044 655698331 /nfs/dbraw/zinc/69/83/31/655698331.db2.gz IWDROZRVPRUXBF-UHFFFAOYSA-N 0 3 323.440 3.086 20 30 DGEDHN N#Cc1ccc(CN[C@]23C[C@H]2COC32CCC2)c(C(F)(F)F)c1 ZINC000933384888 655710398 /nfs/dbraw/zinc/71/03/98/655710398.db2.gz CTSARPQDZCHHNY-XJKSGUPXSA-N 0 3 322.330 3.378 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC000971619970 655710664 /nfs/dbraw/zinc/71/06/64/655710664.db2.gz VYDQNXVQCWUPTP-INIZCTEOSA-N 0 3 312.413 3.002 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000971790083 655726315 /nfs/dbraw/zinc/72/63/15/655726315.db2.gz VOFGJCLJNCWXRD-MCIONIFRSA-N 0 3 318.383 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C2CC2)C1 ZINC001022487718 655744381 /nfs/dbraw/zinc/74/43/81/655744381.db2.gz VYEWCGBOLNZJNK-XUWVNRHRSA-N 0 3 310.869 3.192 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCCC1 ZINC001039473234 655744908 /nfs/dbraw/zinc/74/49/08/655744908.db2.gz CBHAIAANLIGSIV-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN CC(C)CO[C@@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000091964280 655751807 /nfs/dbraw/zinc/75/18/07/655751807.db2.gz MCOJDLAAHXFCNG-MAUKXSAKSA-N 0 3 302.418 3.224 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000971979220 655752699 /nfs/dbraw/zinc/75/26/99/655752699.db2.gz SXYAPRSSCLICTM-OAHLLOKOSA-N 0 3 314.429 3.367 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC000972003242 655753964 /nfs/dbraw/zinc/75/39/64/655753964.db2.gz VNTFVCFTMRDIKV-ZDUSSCGKSA-N 0 3 316.376 3.213 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2coc3cc(C)c(C)cc32)C1 ZINC000972013227 655754235 /nfs/dbraw/zinc/75/42/35/655754235.db2.gz WHZSKKBKKYNYAJ-HNNXBMFYSA-N 0 3 312.413 3.382 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC000972026681 655755508 /nfs/dbraw/zinc/75/55/08/655755508.db2.gz ARJNMRDYLCBEIZ-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2csc3ccccc32)C1 ZINC000972032104 655756014 /nfs/dbraw/zinc/75/60/14/655756014.db2.gz DEDLKOHXVUOYLW-CYBMUJFWSA-N 0 3 300.427 3.234 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001022642310 655757850 /nfs/dbraw/zinc/75/78/50/655757850.db2.gz QQTWYSFKCXKHQZ-IYBDPMFKSA-N 0 3 320.864 3.144 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC000972056196 655760647 /nfs/dbraw/zinc/76/06/47/655760647.db2.gz WJNRLTHWHRJMHI-GOSISDBHSA-N 0 3 312.457 3.135 20 30 DGEDHN N#CC[C@H](CC(=O)OCCN1CCCCC1)c1ccccc1 ZINC000795987217 661183434 /nfs/dbraw/zinc/18/34/34/661183434.db2.gz UMLFNOZRIKHYMZ-QGZVFWFLSA-N 0 3 300.402 3.103 20 30 DGEDHN C=CC[C@@H]1CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000934468196 655777409 /nfs/dbraw/zinc/77/74/09/655777409.db2.gz VSJDIONPLIOOKQ-OLZOCXBDSA-N 0 3 311.410 3.123 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001022769195 655783765 /nfs/dbraw/zinc/78/37/65/655783765.db2.gz IKWNIKRCEPBSGS-LXTVHRRPSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001022899476 655799465 /nfs/dbraw/zinc/79/94/65/655799465.db2.gz LXLNYHCRURUGPH-OKILXGFUSA-N 0 3 321.852 3.206 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC000972447668 655799965 /nfs/dbraw/zinc/79/99/65/655799965.db2.gz UBPVGZBLHQDINA-JKSUJKDBSA-N 0 3 316.445 3.196 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001022990982 655807152 /nfs/dbraw/zinc/80/71/52/655807152.db2.gz QRZUWRMDRPSTBM-IYBDPMFKSA-N 0 3 320.864 3.262 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001023015597 655808852 /nfs/dbraw/zinc/80/88/52/655808852.db2.gz UERMYEXNFMBJTB-CALCHBBNSA-N 0 3 314.816 3.443 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001023062723 655811423 /nfs/dbraw/zinc/81/14/23/655811423.db2.gz BZRKDHSUIIPNJX-TXEJJXNPSA-N 0 3 312.866 3.222 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001023402592 655831736 /nfs/dbraw/zinc/83/17/36/655831736.db2.gz PAYWYCQEAYZVBE-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2OCC(C)C)C1 ZINC000972565166 655833286 /nfs/dbraw/zinc/83/32/86/655833286.db2.gz JSDGEHVVEWDNNB-MRXNPFEDSA-N 0 3 316.445 3.054 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2occc2-c2ccccc2)C1 ZINC001023477693 655836404 /nfs/dbraw/zinc/83/64/04/655836404.db2.gz CAQLRCJVZMSBKA-INIZCTEOSA-N 0 3 322.408 3.022 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3cscc3s2)C1 ZINC001023496797 655837286 /nfs/dbraw/zinc/83/72/86/655837286.db2.gz QIAOUOWZEQOZPB-GFCCVEGCSA-N 0 3 318.467 3.038 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC000972604505 655847703 /nfs/dbraw/zinc/84/77/03/655847703.db2.gz RKFGRDFCLWITQQ-SFHVURJKSA-N 0 3 321.424 3.081 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001023638185 655851633 /nfs/dbraw/zinc/85/16/33/655851633.db2.gz ZHMDMAFHYPECJO-ZRZPHAQCSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C[C@H]1C ZINC000947586859 655854846 /nfs/dbraw/zinc/85/48/46/655854846.db2.gz ZVJQXPVBGCOTSP-CVEARBPZSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001023703513 655855795 /nfs/dbraw/zinc/85/57/95/655855795.db2.gz MBHHHABGNSZEHY-AWEZNQCLSA-N 0 3 304.434 3.032 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001023740549 655861003 /nfs/dbraw/zinc/86/10/03/655861003.db2.gz JOQAPQUPNFUSRZ-HNNXBMFYSA-N 0 3 318.486 3.084 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC000972667207 655861930 /nfs/dbraw/zinc/86/19/30/655861930.db2.gz KRUZBRGFKHVPMN-CQSZACIVSA-N 0 3 300.427 3.234 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001023760049 655862398 /nfs/dbraw/zinc/86/23/98/655862398.db2.gz QAKDSEMYPOEKBN-INIZCTEOSA-N 0 3 310.441 3.029 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC000972681445 655865071 /nfs/dbraw/zinc/86/50/71/655865071.db2.gz ZHFLGIALEQIMFU-RDJZCZTQSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(C3CC3)nc2C)C[C@@H]1C ZINC000947301133 655866080 /nfs/dbraw/zinc/86/60/80/655866080.db2.gz OGSIJUPNRYPFQI-FZMZJTMJSA-N 0 3 319.474 3.098 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCc2cnn(C)c2)c([O-])c1 ZINC000255723612 655892310 /nfs/dbraw/zinc/89/23/10/655892310.db2.gz JQPMZNNQVIYAGU-UYRXBGFRSA-N 0 3 314.433 3.024 20 30 DGEDHN C=CCN(CCc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177058947 655892514 /nfs/dbraw/zinc/89/25/14/655892514.db2.gz JCUAXCVJHMVYND-UHFFFAOYSA-N 0 3 318.424 3.498 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001024453870 655906711 /nfs/dbraw/zinc/90/67/11/655906711.db2.gz SSIHLXOEDKHMBR-QGZVFWFLSA-N 0 3 310.397 3.040 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001024464514 655907891 /nfs/dbraw/zinc/90/78/91/655907891.db2.gz XPKJINITIYJUKN-HZPDHXFCSA-N 0 3 318.465 3.015 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480251 655909872 /nfs/dbraw/zinc/90/98/72/655909872.db2.gz DSMHYTMZHPQWHR-CQSZACIVSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC001024539553 655914534 /nfs/dbraw/zinc/91/45/34/655914534.db2.gz ATKCTOCSQSKDDY-MRXNPFEDSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001024540607 655914677 /nfs/dbraw/zinc/91/46/77/655914677.db2.gz LXYQWYXIXSJSOX-AWEZNQCLSA-N 0 3 306.475 3.471 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001024540296 655914803 /nfs/dbraw/zinc/91/48/03/655914803.db2.gz BNFZLKLSSXQWDK-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001024580907 655920194 /nfs/dbraw/zinc/92/01/94/655920194.db2.gz AKPNFGODKVTNAP-QGZVFWFLSA-N 0 3 323.440 3.084 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024663799 655928393 /nfs/dbraw/zinc/92/83/93/655928393.db2.gz LZIXZIOHTSKZFT-INIZCTEOSA-N 0 3 311.429 3.328 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001024785036 655938290 /nfs/dbraw/zinc/93/82/90/655938290.db2.gz BGOZOGVAJPKCKN-SFHVURJKSA-N 0 3 320.436 3.447 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024781961 655938452 /nfs/dbraw/zinc/93/84/52/655938452.db2.gz DXEJQFWOEHZEHZ-KRWDZBQOSA-N 0 3 313.445 3.119 20 30 DGEDHN N#Cc1csc(CNCc2ccc(N3CCCC3=O)cc2)c1 ZINC000177682237 655939037 /nfs/dbraw/zinc/93/90/37/655939037.db2.gz ZCZKDJKHVYFZFV-UHFFFAOYSA-N 0 3 311.410 3.036 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024821314 655942438 /nfs/dbraw/zinc/94/24/38/655942438.db2.gz LBYUJBQKSUMVPM-JCYILVPMSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001024816038 655942447 /nfs/dbraw/zinc/94/24/47/655942447.db2.gz AARNPRDBSKFHPJ-LJQANCHMSA-N 0 3 310.441 3.172 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001024818966 655943118 /nfs/dbraw/zinc/94/31/18/655943118.db2.gz JBYRMDPSPGOINT-HNNXBMFYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cnc(C(C)C)s1 ZINC001024829808 655943528 /nfs/dbraw/zinc/94/35/28/655943528.db2.gz HQEZMOWPMZGACC-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN CC[C@H](C)N(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000178091978 655954593 /nfs/dbraw/zinc/95/45/93/655954593.db2.gz CLZSTVWIPZRHFZ-INIZCTEOSA-N 0 3 301.434 3.280 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199792 655976359 /nfs/dbraw/zinc/97/63/59/655976359.db2.gz ZRLFCLMRICANKN-QZTJIDSGSA-N 0 3 314.429 3.070 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001025228686 655981925 /nfs/dbraw/zinc/98/19/25/655981925.db2.gz CDVYUJGJWZNFHR-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001025228687 655982097 /nfs/dbraw/zinc/98/20/97/655982097.db2.gz CDVYUJGJWZNFHR-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C(C)C ZINC001025236116 655982813 /nfs/dbraw/zinc/98/28/13/655982813.db2.gz RQJSXBVXMFGFJW-IRXDYDNUSA-N 0 3 304.478 3.147 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001025246623 655984446 /nfs/dbraw/zinc/98/44/46/655984446.db2.gz XRJUHJRDADKVJQ-DLBZAZTESA-N 0 3 320.452 3.138 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1CC ZINC001025264820 655986260 /nfs/dbraw/zinc/98/62/60/655986260.db2.gz BRNIUEPDGXMQCS-IAGOWNOFSA-N 0 3 316.445 3.487 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1CC ZINC001025264821 655986326 /nfs/dbraw/zinc/98/63/26/655986326.db2.gz BRNIUEPDGXMQCS-IRXDYDNUSA-N 0 3 316.445 3.487 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2CC#CC)C1 ZINC001025269077 655987245 /nfs/dbraw/zinc/98/72/45/655987245.db2.gz KKXLWCGORRRXMB-ZWKOTPCHSA-N 0 3 314.473 3.212 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001025269493 655987419 /nfs/dbraw/zinc/98/74/19/655987419.db2.gz RJPBCUNZLNMMBA-ZWKOTPCHSA-N 0 3 314.473 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)CC1 ZINC001025292664 655989287 /nfs/dbraw/zinc/98/92/87/655989287.db2.gz LEHFJJBYVYOTLJ-NCXUSEDFSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C)cc1C ZINC001025294348 655989810 /nfs/dbraw/zinc/98/98/10/655989810.db2.gz ADALPWZYLQCGHX-VQTJNVASSA-N 0 3 324.468 3.396 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC001025420811 656009008 /nfs/dbraw/zinc/00/90/08/656009008.db2.gz VYOYOLQIOSBAFX-YJBOKZPZSA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)oc(C)c2C)C1 ZINC001025477342 656019706 /nfs/dbraw/zinc/01/97/06/656019706.db2.gz GTIVLKIDKNKBAB-PBHICJAKSA-N 0 3 316.445 3.058 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCCCCCC2)C1 ZINC001025483274 656021387 /nfs/dbraw/zinc/02/13/87/656021387.db2.gz WXGNLTTYFDTUQH-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC001025518733 656027421 /nfs/dbraw/zinc/02/74/21/656027421.db2.gz HNQSNRODDDDEFL-QFBILLFUSA-N 0 3 312.457 3.103 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(CC#CC)C2)cc1 ZINC001025536286 656031516 /nfs/dbraw/zinc/03/15/16/656031516.db2.gz VLHSGEJYRDLMGQ-LPHOPBHVSA-N 0 3 310.441 3.183 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC001025544262 656033653 /nfs/dbraw/zinc/03/36/53/656033653.db2.gz SDQQHPJXJFZOTF-HZPDHXFCSA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC001025586901 656040453 /nfs/dbraw/zinc/04/04/53/656040453.db2.gz GZLRYJNMNLQTBJ-APWZRJJASA-N 0 3 312.457 3.274 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025601152 656042922 /nfs/dbraw/zinc/04/29/22/656042922.db2.gz AFXQEJYNYQDDFC-VJANTYMQSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC001025611594 656046280 /nfs/dbraw/zinc/04/62/80/656046280.db2.gz MRZCZJHHNZNDIW-IEBWSBKVSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C2CCC2)C1 ZINC001025607335 656046428 /nfs/dbraw/zinc/04/64/28/656046428.db2.gz SXFXRPNRAAAGGD-FUHWJXTLSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2oc3ccccc3c2C)C1 ZINC001025613765 656047907 /nfs/dbraw/zinc/04/79/07/656047907.db2.gz ABEKKRPSFLYZDT-HOTGVXAUSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC001025614225 656048083 /nfs/dbraw/zinc/04/80/83/656048083.db2.gz IMYMIDBCWDNDHX-LPHOPBHVSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001025629368 656051272 /nfs/dbraw/zinc/05/12/72/656051272.db2.gz GGPRTFSKFKOGQN-CVEARBPZSA-N 0 3 324.424 3.205 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC001025632495 656052818 /nfs/dbraw/zinc/05/28/18/656052818.db2.gz LFPARFGROFXHOI-MAUKXSAKSA-N 0 3 316.420 3.010 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccccc1 ZINC000122683302 656078785 /nfs/dbraw/zinc/07/87/85/656078785.db2.gz VYECUIVYSZMLPL-HNNXBMFYSA-N 0 3 303.365 3.382 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001008399647 656153678 /nfs/dbraw/zinc/15/36/78/656153678.db2.gz MBQCRTHUKKXXMQ-WMLDXEAASA-N 0 3 318.848 3.047 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)cccc2Cl)C(C)(C)C1 ZINC000974766111 656228365 /nfs/dbraw/zinc/22/83/65/656228365.db2.gz KEXYPCRROFTDRM-INIZCTEOSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc3ccccc32)C(C)(C)C1 ZINC000974787066 656230026 /nfs/dbraw/zinc/23/00/26/656230026.db2.gz DFBBZFLWYVDYQG-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(F)c2)C(C)(C)C1 ZINC000974805051 656230572 /nfs/dbraw/zinc/23/05/72/656230572.db2.gz CIIRGCJIBRTBJP-INIZCTEOSA-N 0 3 304.409 3.150 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)cc1 ZINC000974929343 656242213 /nfs/dbraw/zinc/24/22/13/656242213.db2.gz IDGAVPJVOJLDEV-GOSISDBHSA-N 0 3 310.441 3.074 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2occc2C(C)C)C(C)(C)C1 ZINC000974945294 656243708 /nfs/dbraw/zinc/24/37/08/656243708.db2.gz KLGKWPPRIJDPCT-HNNXBMFYSA-N 0 3 304.434 3.419 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001009370182 656284160 /nfs/dbraw/zinc/28/41/60/656284160.db2.gz LGFJYZGUGDGLKE-NSHDSACASA-N 0 3 314.401 3.456 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001027434261 656306155 /nfs/dbraw/zinc/30/61/55/656306155.db2.gz NDZADEGPISFPEV-IBGZPJMESA-N 0 3 310.441 3.124 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC001027454102 656308879 /nfs/dbraw/zinc/30/88/79/656308879.db2.gz DLDZIQCVKRRLTG-SFHVURJKSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC001027464847 656311563 /nfs/dbraw/zinc/31/15/63/656311563.db2.gz IEDASLQRNIXOMT-LBPRGKRZSA-N 0 3 318.467 3.132 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC001027482837 656315075 /nfs/dbraw/zinc/31/50/75/656315075.db2.gz HJKWYZMTVDHKNW-OAHLLOKOSA-N 0 3 312.438 3.071 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc([C@H](C)CC)no2)C(C)(C)C1 ZINC000977246042 656318593 /nfs/dbraw/zinc/31/85/93/656318593.db2.gz ZAZXXIJCPHAUTJ-CZUORRHYSA-N 0 3 319.449 3.204 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCC(F)(F)F)[C@H](C)C2)C1 ZINC000947702821 656318985 /nfs/dbraw/zinc/31/89/85/656318985.db2.gz SUEVOZDCPGWUNZ-CHWSQXEVSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3ccncc3c2)C(C)(C)C1 ZINC000977436258 656327883 /nfs/dbraw/zinc/32/78/83/656327883.db2.gz XMLXANRNXMULRL-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977520161 656336465 /nfs/dbraw/zinc/33/64/65/656336465.db2.gz BSXHKYYLRHKPAB-WBVHZDCISA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C(C)C)cc2)C(C)(C)C1 ZINC000977536211 656339931 /nfs/dbraw/zinc/33/99/31/656339931.db2.gz VYELUFDHOKQCRH-SFHVURJKSA-N 0 3 312.457 3.274 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977557935 656342503 /nfs/dbraw/zinc/34/25/03/656342503.db2.gz HDBIQDDRVIDNFX-KRWDZBQOSA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3c(c2)CCC3)C(C)(C)C1 ZINC000977573605 656343881 /nfs/dbraw/zinc/34/38/81/656343881.db2.gz LWUWGFAZAGLELF-SFHVURJKSA-N 0 3 312.457 3.192 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc(C)c(C)s2)C(C)(C)C1 ZINC000977566609 656345337 /nfs/dbraw/zinc/34/53/37/656345337.db2.gz LTVZOLQSMKVBQE-HNNXBMFYSA-N 0 3 306.475 3.381 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cncc3ccccc32)C(C)(C)C1 ZINC000977632418 656349128 /nfs/dbraw/zinc/34/91/28/656349128.db2.gz VDADJNORYYRZDZ-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC001027612925 656376234 /nfs/dbraw/zinc/37/62/34/656376234.db2.gz BXVJOGJQPNQENL-FUHWJXTLSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3ccsc32)C1 ZINC001027641409 656382625 /nfs/dbraw/zinc/38/26/25/656382625.db2.gz IVXOPNKXJANZOM-HNNXBMFYSA-N 0 3 312.438 3.071 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2sccc2C2CC2)CC1 ZINC001006371101 661258329 /nfs/dbraw/zinc/25/83/29/661258329.db2.gz VZWQYRUYDKVYLL-UHFFFAOYSA-N 0 3 304.459 3.348 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001027694863 656398614 /nfs/dbraw/zinc/39/86/14/656398614.db2.gz JYWYPJYEAMMUSN-VQIMIIECSA-N 0 3 312.457 3.370 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001027704388 656401771 /nfs/dbraw/zinc/40/17/71/656401771.db2.gz OXCZACHKIPKOTJ-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3occc3C)C[C@@H]2C1 ZINC000979500101 656431904 /nfs/dbraw/zinc/43/19/04/656431904.db2.gz DCCQPWFCMIOPNH-ZNMIVQPWSA-N 0 3 322.836 3.171 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc(Cl)c2C)CC1 ZINC001052396230 656432520 /nfs/dbraw/zinc/43/25/20/656432520.db2.gz BGMZWHBHGWANJG-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001052387670 656432666 /nfs/dbraw/zinc/43/26/66/656432666.db2.gz PFHFONZDBVEAMB-UFYCRDLUSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001052447093 656436565 /nfs/dbraw/zinc/43/65/65/656436565.db2.gz WSAVDBBQQURMHJ-HZPDHXFCSA-N 0 3 321.440 3.007 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC001052491466 656439168 /nfs/dbraw/zinc/43/91/68/656439168.db2.gz FBVLTPLFZIXQEF-QUCCMNQESA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2c(C)cc(F)cc2C)CC1 ZINC001052618249 656449617 /nfs/dbraw/zinc/44/96/17/656449617.db2.gz TWYVINDZSQZSFW-KRWDZBQOSA-N 0 3 316.420 3.050 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)cc1 ZINC001052615124 656449671 /nfs/dbraw/zinc/44/96/71/656449671.db2.gz GQCCJKSWOMHYEG-DPTHPHEISA-N 0 3 316.832 3.005 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001027881133 656455591 /nfs/dbraw/zinc/45/55/91/656455591.db2.gz LIPOQXORZJONEY-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cc(C)co3)C[C@H]2C1 ZINC000980154999 656458148 /nfs/dbraw/zinc/45/81/48/656458148.db2.gz UASVICPLMSDWGI-KKUMJFAQSA-N 0 3 322.836 3.171 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001039373284 656489667 /nfs/dbraw/zinc/48/96/67/656489667.db2.gz MUBFYWVBLBHTDN-DBVUQKKJSA-N 0 3 322.452 3.226 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001039384313 656491031 /nfs/dbraw/zinc/49/10/31/656491031.db2.gz OKGJIDUIJJXQOJ-KFWWJZLASA-N 0 3 312.404 3.063 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC=CCCC1 ZINC001039392818 656492017 /nfs/dbraw/zinc/49/20/17/656492017.db2.gz GRUAKFOTUAJKAF-OTWHNJEPSA-N 0 3 314.473 3.212 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccsc1 ZINC001039434589 656501773 /nfs/dbraw/zinc/50/17/73/656501773.db2.gz IWRHAHXYTSAHBS-OIISXLGYSA-N 0 3 318.486 3.493 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)c1ccccc1 ZINC001039444623 656503019 /nfs/dbraw/zinc/50/30/19/656503019.db2.gz MPAUHXGMXMWMDU-FGTMMUONSA-N 0 3 316.420 3.339 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)CC ZINC001039456075 656505797 /nfs/dbraw/zinc/50/57/97/656505797.db2.gz FUYOINHPRHNTJM-SJORKVTESA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001039462113 656507474 /nfs/dbraw/zinc/50/74/74/656507474.db2.gz ZWJRNKRMTUXUOP-MOPGFXCFSA-N 0 3 312.457 3.261 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccccc1 ZINC001039466217 656508891 /nfs/dbraw/zinc/50/88/91/656508891.db2.gz YXOZJQRVMRSCFW-UHOSZYNNSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c(C)s1 ZINC001039471820 656509963 /nfs/dbraw/zinc/50/99/63/656509963.db2.gz NWERLOJCLRUGEI-CABCVRRESA-N 0 3 319.474 3.015 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1C ZINC001039473684 656510978 /nfs/dbraw/zinc/51/09/78/656510978.db2.gz YDUKCCLKOXNFRW-QRVBRYPASA-N 0 3 324.468 3.187 20 30 DGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1nc(C(C)(C)C)cs1 ZINC001027947837 656521665 /nfs/dbraw/zinc/52/16/65/656521665.db2.gz SQQJZHSLAPOJJC-CYBMUJFWSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC000980559031 656524313 /nfs/dbraw/zinc/52/43/13/656524313.db2.gz VAMCIBAHBPQHJG-YOEHRIQHSA-N 0 3 320.864 3.237 20 30 DGEDHN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)cc1 ZINC001039817274 656535207 /nfs/dbraw/zinc/53/52/07/656535207.db2.gz TUOUFRFCHQVDBJ-KDURUIRLSA-N 0 3 310.441 3.003 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027960311 656541559 /nfs/dbraw/zinc/54/15/59/656541559.db2.gz XEQCLRLECMRJRU-ZDUSSCGKSA-N 0 3 308.372 3.044 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001027969364 656558004 /nfs/dbraw/zinc/55/80/04/656558004.db2.gz JZPIMWVWEBNFRV-MJGOQNOKSA-N 0 3 312.457 3.263 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC3CCCCC3)C2)C1 ZINC001040066872 656558805 /nfs/dbraw/zinc/55/88/05/656558805.db2.gz WCWCWELEYZDWHY-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3oc(C)cc3C)C2)C1 ZINC001040149627 656565825 /nfs/dbraw/zinc/56/58/25/656565825.db2.gz JQJVEUXSSJKPPU-SFHVURJKSA-N 0 3 302.418 3.011 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC3(C)CCCC3)C2)C1 ZINC001040198825 656569249 /nfs/dbraw/zinc/56/92/49/656569249.db2.gz VZNMFCLRSYUILZ-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@]2(C1)CCCN(CC#CC)C2 ZINC001040224347 656571513 /nfs/dbraw/zinc/57/15/13/656571513.db2.gz JXXKDPSSZQSQGZ-GOSISDBHSA-N 0 3 322.880 3.103 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1CC ZINC001027996910 656580983 /nfs/dbraw/zinc/58/09/83/656580983.db2.gz ZDANLPVZQGNXMQ-MRXNPFEDSA-N 0 3 304.409 3.158 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC(C)(C)C3)C2)C1 ZINC001040368423 656581786 /nfs/dbraw/zinc/58/17/86/656581786.db2.gz GCLYYUYHORFZPW-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001027999856 656584158 /nfs/dbraw/zinc/58/41/58/656584158.db2.gz RHRRWLOEFWKANL-MRXNPFEDSA-N 0 3 316.445 3.082 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccc(C)cc3F)C2)C1 ZINC001040418757 656587371 /nfs/dbraw/zinc/58/73/71/656587371.db2.gz QGNKZDDLEPIJOO-IBGZPJMESA-N 0 3 316.420 3.248 20 30 DGEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)c(CC)o3)C2)C1 ZINC001040492295 656591498 /nfs/dbraw/zinc/59/14/98/656591498.db2.gz OIBMUWDLOXRANR-LJQANCHMSA-N 0 3 316.445 3.265 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001049290629 656591676 /nfs/dbraw/zinc/59/16/76/656591676.db2.gz FDDHYMKKRKUFBM-OALUTQOASA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028008358 656595794 /nfs/dbraw/zinc/59/57/94/656595794.db2.gz AHUUTQKXFUIBON-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CCCC1 ZINC001049301599 656596741 /nfs/dbraw/zinc/59/67/41/656596741.db2.gz JUEKNEPBJYPCHK-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049323135 656601781 /nfs/dbraw/zinc/60/17/81/656601781.db2.gz RZFXTCWQYLJYBM-CHWSQXEVSA-N 0 3 308.809 3.188 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C(C)(C)C(C)C)C2)CC1 ZINC001040713989 656603674 /nfs/dbraw/zinc/60/36/74/656603674.db2.gz DJCOHQXKXLPTEW-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)C3(C)CCCCCC3)C2)CC1 ZINC001040732249 656604393 /nfs/dbraw/zinc/60/43/93/656604393.db2.gz ZEWTUZDSACLMLO-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C[C@@H]3C=CCCC3)C2)CC1 ZINC001040746326 656605260 /nfs/dbraw/zinc/60/52/60/656605260.db2.gz YYXINHNQYUDMBZ-GOSISDBHSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]3CCC)C2)CC1 ZINC001040750104 656605397 /nfs/dbraw/zinc/60/53/97/656605397.db2.gz LYZWNDLWQLUYIF-ROUUACIJSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C3(CC)CCCC3)C2)CC1 ZINC001040901597 656613793 /nfs/dbraw/zinc/61/37/93/656613793.db2.gz NNGSNYIDEFNFJN-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)c3ccc(C4CC4)cc3)C2)CC1 ZINC001040944872 656616243 /nfs/dbraw/zinc/61/62/43/656616243.db2.gz IGJZIDWGKQHPNG-UHFFFAOYSA-N 0 3 322.452 3.125 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C3CCC=CCC3)C2)CC1 ZINC001040941855 656616284 /nfs/dbraw/zinc/61/62/84/656616284.db2.gz QJDIFQIWFVTTNE-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1CC ZINC001049452318 656623000 /nfs/dbraw/zinc/62/30/00/656623000.db2.gz YFLZMHDPJNBODD-HOTGVXAUSA-N 0 3 302.418 3.097 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)coc1C ZINC001049453365 656623119 /nfs/dbraw/zinc/62/31/19/656623119.db2.gz LSVUCYZKKIZZLS-HOTGVXAUSA-N 0 3 302.418 3.151 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001049476915 656625945 /nfs/dbraw/zinc/62/59/45/656625945.db2.gz ZWGPSKKIGURGJE-IXDOHACOSA-N 0 3 302.462 3.208 20 30 DGEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1sc(C)cc1C ZINC001049499056 656630840 /nfs/dbraw/zinc/63/08/40/656630840.db2.gz UFRRCDJSWBRLPN-HZPDHXFCSA-N 0 3 316.470 3.067 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CCCC1 ZINC001049525193 656636289 /nfs/dbraw/zinc/63/62/89/656636289.db2.gz VNRZYHVDRACTFS-DLBZAZTESA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028038254 656638113 /nfs/dbraw/zinc/63/81/13/656638113.db2.gz QMNVIRBWXGQGDZ-WSTZPKSXSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2ccccc21 ZINC001049551234 656639293 /nfs/dbraw/zinc/63/92/93/656639293.db2.gz FXCKEYXSJHLYMZ-SLFFLAALSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C(C)C)n1 ZINC001049573299 656643259 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C=CCN1CCC[C@@H]1CNC(=O)c1csc2ccccc12 ZINC001028056989 656656253 /nfs/dbraw/zinc/65/62/53/656656253.db2.gz AKADFRWXGHHMCA-CYBMUJFWSA-N 0 3 300.427 3.282 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001028063108 656658063 /nfs/dbraw/zinc/65/80/63/656658063.db2.gz FRFOQGYYYMZEHP-HNNXBMFYSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2ccccc2n1C ZINC001049676313 656662561 /nfs/dbraw/zinc/66/25/61/656662561.db2.gz NVVCPEDUDQHAJN-QZTJIDSGSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2[nH]ccc2c1 ZINC001049690997 656665471 /nfs/dbraw/zinc/66/54/71/656665471.db2.gz JNUMJCHVVNLJDW-MSOLQXFVSA-N 0 3 309.413 3.033 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001028073600 656666420 /nfs/dbraw/zinc/66/64/20/656666420.db2.gz SCBUXYBNPWMALW-INIZCTEOSA-N 0 3 323.440 3.002 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cccc4ccsc43)C2)C1 ZINC001041771932 656673248 /nfs/dbraw/zinc/67/32/48/656673248.db2.gz 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DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028106291 656735558 /nfs/dbraw/zinc/73/55/58/656735558.db2.gz WQNRFILVKMUNBL-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]21 ZINC001042206726 656737475 /nfs/dbraw/zinc/73/74/75/656737475.db2.gz NCFDXJRKGIGTHV-LRDDRELGSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042220382 656739044 /nfs/dbraw/zinc/73/90/44/656739044.db2.gz CKDDJXOBTSWBDZ-TZMCWYRMSA-N 0 3 308.809 3.046 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)CC3CCCCCC3)C[C@@H]21 ZINC001042248718 656744968 /nfs/dbraw/zinc/74/49/68/656744968.db2.gz ZSXASRHGXWWJBX-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001028113884 656745295 /nfs/dbraw/zinc/74/52/95/656745295.db2.gz VRVOOZGISGOFAS-QGZVFWFLSA-N 0 3 323.440 3.248 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCC(F)(F)F)CC2)C1 ZINC001052693489 656749982 /nfs/dbraw/zinc/74/99/82/656749982.db2.gz 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CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001045607377 657042635 /nfs/dbraw/zinc/04/26/35/657042635.db2.gz UVAFDFRCKHEZIB-LPHOPBHVSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cccc4[nH]ccc43)C[C@]2(C)C1 ZINC000982580613 657056115 /nfs/dbraw/zinc/05/61/15/657056115.db2.gz VLNSUWWVENRSQN-BGYRXZFFSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000982598861 657061304 /nfs/dbraw/zinc/06/13/04/657061304.db2.gz MFHNZAOPAAYRDP-BGYRXZFFSA-N 0 3 323.440 3.138 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1C=CCC1)C2 ZINC001045913101 657088311 /nfs/dbraw/zinc/08/83/11/657088311.db2.gz QTSNIZBTPNKMCI-ICSRJNTNSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C=C1CCCCC1)C2 ZINC001045920201 657092903 /nfs/dbraw/zinc/09/29/03/657092903.db2.gz KXEUWNBYIVXDQL-HXUWFJFHSA-N 0 3 314.473 3.215 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001000091126 657093521 /nfs/dbraw/zinc/09/35/21/657093521.db2.gz 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DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2sccc2C(C)C)CC1 ZINC001016983091 658362783 /nfs/dbraw/zinc/36/27/83/658362783.db2.gz ODNPWEQKLCENQM-HNNXBMFYSA-N 0 3 316.470 3.089 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CC[C@H](C)C1)C2 ZINC000965334715 658399524 /nfs/dbraw/zinc/39/95/24/658399524.db2.gz JLHOAQPOSVXGFH-YULYLDDOSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1csc(C)c1)C2 ZINC000965452374 658405719 /nfs/dbraw/zinc/40/57/19/658405719.db2.gz LWEOFFSBABVYPQ-UHFFFAOYSA-N 0 3 324.877 3.440 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c2ccccc12 ZINC001017711591 658452152 /nfs/dbraw/zinc/45/21/52/658452152.db2.gz VYNWWGXPBTWVBF-IYBDPMFKSA-N 0 3 323.440 3.043 20 30 DGEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC000989236182 658454380 /nfs/dbraw/zinc/45/43/80/658454380.db2.gz LJLDCVPTQFDEEN-GOEBONIOSA-N 0 3 304.478 3.051 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)cc1 ZINC001017722350 658454582 /nfs/dbraw/zinc/45/45/82/658454582.db2.gz 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C=CCN1CC[C@@H](NC(=O)c2ccc(-c3ccco3)o2)[C@H](C)C1 ZINC000942430649 660152253 /nfs/dbraw/zinc/15/22/53/660152253.db2.gz JLIHYBXGSBVMIV-ZIAGYGMSSA-N 0 3 314.385 3.166 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c3cccnc23)[C@@H](C)C1 ZINC000942522561 660154697 /nfs/dbraw/zinc/15/46/97/660154697.db2.gz CYGNMOIQHNQPQR-MAUKXSAKSA-N 0 3 323.440 3.169 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2F)[C@H](C)C1 ZINC000942527300 660154795 /nfs/dbraw/zinc/15/47/95/660154795.db2.gz KGZZSFVKLGMBOM-OCCSQVGLSA-N 0 3 324.827 3.414 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(Cl)cc2C)[C@H](C)C1 ZINC000942556164 660158434 /nfs/dbraw/zinc/15/84/34/660158434.db2.gz WJGZXQHGRKKHOA-RHSMWYFYSA-N 0 3 318.848 3.030 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)c(Cl)cc2C)[C@@H](C)C1 ZINC000942556166 660158512 /nfs/dbraw/zinc/15/85/12/660158512.db2.gz WJGZXQHGRKKHOA-YOEHRIQHSA-N 0 3 318.848 3.030 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000942594853 660163288 /nfs/dbraw/zinc/16/32/88/660163288.db2.gz PMSPCCMZCODDMA-YOEHRIQHSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000948474769 660167702 /nfs/dbraw/zinc/16/77/02/660167702.db2.gz YZFPEGDCHZKHBL-MOPGFXCFSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000942958190 660173855 /nfs/dbraw/zinc/17/38/55/660173855.db2.gz CVRXSGKIHNSONO-ABAIWWIYSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000929584728 661319081 /nfs/dbraw/zinc/31/90/81/661319081.db2.gz MTDVFSXXPUGYEP-KRWDZBQOSA-N 0 3 300.446 3.323 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN(C)[C@H](C)c2ccccn2)cc1 ZINC000930118988 661368455 /nfs/dbraw/zinc/36/84/55/661368455.db2.gz KLDHPARBSNFAJZ-OAHLLOKOSA-N 0 3 307.397 3.085 20 30 DGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(Cl)cc(C#N)c1 ZINC000930454114 661400034 /nfs/dbraw/zinc/40/00/34/661400034.db2.gz VCBOFUNOGHERRU-XSIBGMEISA-N 0 3 302.805 3.067 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccccc3CF)C2)nc1 ZINC000930542616 661408977 /nfs/dbraw/zinc/40/89/77/661408977.db2.gz WTKCVMQTDWHCEX-KRWDZBQOSA-N 0 3 311.360 3.076 20 30 DGEDHN CC[C@@H](NCC1CCC(C#N)CC1)c1nnc2n1CCCCC2 ZINC000931033605 661447149 /nfs/dbraw/zinc/44/71/49/661447149.db2.gz IXPCQKMNIQYBOE-UYSNPLJNSA-N 0 3 315.465 3.375 20 30 DGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN(C)[C@H]1CCC[C@@H]1C#N ZINC000931476302 661480644 /nfs/dbraw/zinc/48/06/44/661480644.db2.gz OQCCRPVCFXFXNW-FPCVCCKLSA-N 0 3 321.465 3.113 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1F ZINC000931907857 661520339 /nfs/dbraw/zinc/52/03/39/661520339.db2.gz RIPBASACCXNVLB-QUCCMNQESA-N 0 3 322.383 3.097 20 30 DGEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(F)ccc1OC ZINC000932470988 661572342 /nfs/dbraw/zinc/57/23/42/661572342.db2.gz CXMKUNPIUILPEO-ZFWWWQNUSA-N 0 3 308.397 3.176 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCC1 ZINC000933300033 661628510 /nfs/dbraw/zinc/62/85/10/661628510.db2.gz PBBBAPHBSICGDR-LBPRGKRZSA-N 0 3 320.820 3.211 20 30 DGEDHN C#CCN(C[C@@H]1CC2(CC2)C(=O)O1)[C@@H]1CCCc2ccccc21 ZINC000933417592 661633048 /nfs/dbraw/zinc/63/30/48/661633048.db2.gz GFKFHKDMFMVTIY-FUHWJXTLSA-N 0 3 309.409 3.095 20 30 DGEDHN O=C1C=COC2(CCN(Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000933648792 661647717 /nfs/dbraw/zinc/64/77/17/661647717.db2.gz RVUVUOFEYFSFHP-UHFFFAOYSA-N 0 3 307.340 3.462 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@@H]1CN(C)Cc1cc(C#N)cs1 ZINC000933771039 661656755 /nfs/dbraw/zinc/65/67/55/661656755.db2.gz VGEUSBCJRMXMGZ-UKRRQHHQSA-N 0 3 306.431 3.031 20 30 DGEDHN N#Cc1c(F)cccc1CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934830485 661737756 /nfs/dbraw/zinc/73/77/56/661737756.db2.gz CUYOVLJNKJTOBU-GDBMZVCRSA-N 0 3 302.393 3.336 20 30 DGEDHN C#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000934937124 661749828 /nfs/dbraw/zinc/74/98/28/661749828.db2.gz BYJLFBRMNJGBCM-LJQANCHMSA-N 0 3 319.408 3.064 20 30 DGEDHN CC(C)Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000156100226 661858302 /nfs/dbraw/zinc/85/83/02/661858302.db2.gz NCWDCPDIHLUXHO-YOEHRIQHSA-N 0 3 314.429 3.222 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)C=C2CCC2)CCN1Cc1cccc(C#N)c1 ZINC000947185448 661894624 /nfs/dbraw/zinc/89/46/24/661894624.db2.gz MKQUEBPGNLLTCF-DNVCBOLYSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(CCC)s2)C[C@H]1C ZINC000947358107 661904353 /nfs/dbraw/zinc/90/43/53/661904353.db2.gz YZBXTJLNCGIMHR-ZIAGYGMSSA-N 0 3 306.475 3.469 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc3ccccc32)C[C@H]1C ZINC000947516316 661912669 /nfs/dbraw/zinc/91/26/69/661912669.db2.gz UQXWAUBAKQWWRJ-HUUCEWRRSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc3ccccc32)C[C@@H]1C ZINC000947516317 661913113 /nfs/dbraw/zinc/91/31/13/661913113.db2.gz UQXWAUBAKQWWRJ-LSDHHAIUSA-N 0 3 309.413 3.004 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CCCC)cc2)C[C@H]1C ZINC000947518931 661913334 /nfs/dbraw/zinc/91/33/34/661913334.db2.gz ALOWGXRKYCPRTQ-VQIMIIECSA-N 0 3 312.457 3.245 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cc(C)ccc3n2)C[C@@H]1C ZINC000947529115 661914705 /nfs/dbraw/zinc/91/47/05/661914705.db2.gz QETJKJPAAZBYTG-RDJZCZTQSA-N 0 3 323.440 3.312 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C[C@H]1C ZINC000947586034 661918855 /nfs/dbraw/zinc/91/88/55/661918855.db2.gz UJSKXFUUACRUNP-NVXWUHKLSA-N 0 3 323.440 3.082 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CCC2)C[C@@H]1C ZINC000947596494 661919242 /nfs/dbraw/zinc/91/92/42/661919242.db2.gz AYKJFKWDJBSTFR-PKOBYXMFSA-N 0 3 324.468 3.019 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c3ccccc23)C[C@H]1C ZINC000947734552 661927643 /nfs/dbraw/zinc/92/76/43/661927643.db2.gz AWAGPNUGAVZNPV-HUUCEWRRSA-N 0 3 324.399 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)C[C@@H]1C ZINC000947736229 661928103 /nfs/dbraw/zinc/92/81/03/661928103.db2.gz VLSSVOVDORZSOU-GJZGRUSLSA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(OCC)c2)C[C@@H]1C ZINC000947771340 661930427 /nfs/dbraw/zinc/93/04/27/661930427.db2.gz JTGSHBMUTNLSRX-DOTOQJQBSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ccccc3n2)C[C@@H]1C ZINC000947961768 661940292 /nfs/dbraw/zinc/94/02/92/661940292.db2.gz FHUAHQBAMZMFML-HOCLYGCPSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ncsc3c2)C[C@H]1C ZINC000947998318 661943654 /nfs/dbraw/zinc/94/36/54/661943654.db2.gz KPFDZZNPRFKMJF-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C ZINC000948095355 661950581 /nfs/dbraw/zinc/95/05/81/661950581.db2.gz VVCGRVZJWWVMNJ-CABCVRRESA-N 0 3 304.478 3.051 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3=CCCC3)cc2)C[C@@H]1C ZINC000948103737 661951628 /nfs/dbraw/zinc/95/16/28/661951628.db2.gz HFSPCLRMMIEZRZ-OXJNMPFZSA-N 0 3 322.452 3.470 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c(C)oc(C)c2C)CC1 ZINC000948602637 661985725 /nfs/dbraw/zinc/98/57/25/661985725.db2.gz QCMAEWSFKHFHNA-QGZVFWFLSA-N 0 3 316.445 3.155 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC000948611980 661986259 /nfs/dbraw/zinc/98/62/59/661986259.db2.gz IOLMMCSRJRITJJ-VQTJNVASSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)cc(F)cc2C)CC1 ZINC000948670533 661989756 /nfs/dbraw/zinc/98/97/56/661989756.db2.gz RRUJUGJKRUETGU-KRWDZBQOSA-N 0 3 316.420 3.002 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000948692134 661991328 /nfs/dbraw/zinc/99/13/28/661991328.db2.gz AEYZYTAEZYFXNM-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccccc2C2(C)CC2)CC1 ZINC000948767313 661996832 /nfs/dbraw/zinc/99/68/32/661996832.db2.gz WBACKYVUWSFBLG-QGZVFWFLSA-N 0 3 324.468 3.298 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000948793006 661998475 /nfs/dbraw/zinc/99/84/75/661998475.db2.gz IUVQJLDPLWXYHT-FGTMMUONSA-N 0 3 304.478 3.005 20 30 DGEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C)cc(F)c2)CC1 ZINC000948800450 661998737 /nfs/dbraw/zinc/99/87/37/661998737.db2.gz QCBQZOSCKZLPHK-SFHVURJKSA-N 0 3 316.420 3.084 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000948804413 661999393 /nfs/dbraw/zinc/99/93/93/661999393.db2.gz MXCQOBNLXOVGJO-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948954355 662009463 /nfs/dbraw/zinc/00/94/63/662009463.db2.gz LVQSNKOWXJOCHL-SNRMKQJTSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1c[nH]cc1C ZINC000948987285 662010810 /nfs/dbraw/zinc/01/08/10/662010810.db2.gz WIOIDDGRVLSMMP-IBGZPJMESA-N 0 3 323.440 3.228 20 30 DGEDHN C#CCN(C)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000192237906 662092855 /nfs/dbraw/zinc/09/28/55/662092855.db2.gz YYANTOWVWAUJON-CTNGQTDRSA-N 0 3 323.436 3.027 20 30 DGEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000246145382 662248528 /nfs/dbraw/zinc/24/85/28/662248528.db2.gz BPCOOAAPUSGGTQ-IAGOWNOFSA-N 0 3 313.445 3.362 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000247288133 662306299 /nfs/dbraw/zinc/30/62/99/662306299.db2.gz UCSOGNNXZANIMF-GVDBMIGSSA-N 0 3 312.413 3.114 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000974953659 685339377 /nfs/dbraw/zinc/33/93/77/685339377.db2.gz IPWWKRJRHJOECW-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000974953664 685339395 /nfs/dbraw/zinc/33/93/95/685339395.db2.gz IPWWKRJRHJOECW-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4ncccc4c3)CCC[C@@H]12 ZINC000992143236 685358715 /nfs/dbraw/zinc/35/87/15/685358715.db2.gz MEIUIRSHVDFRRL-UYAOXDASSA-N 0 3 321.424 3.148 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(F)cc2F)CC[C@H]1C ZINC001071523037 686677016 /nfs/dbraw/zinc/67/70/16/686677016.db2.gz WFZZYOXHFXAEKF-CZUORRHYSA-N 0 3 322.399 3.053 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cccc(CC)c2)CC[C@H]1C ZINC001071622612 686706251 /nfs/dbraw/zinc/70/62/51/686706251.db2.gz MDWYWJALPOPHHM-VQIMIIECSA-N 0 3 314.473 3.337 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc3ccccc32)CC[C@H]1C ZINC001071660545 686714801 /nfs/dbraw/zinc/71/48/01/686714801.db2.gz XRVDNRZRUFYYRF-HZPDHXFCSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@@H]1C ZINC001071664125 686717615 /nfs/dbraw/zinc/71/76/15/686717615.db2.gz YIVKVPCOHGQZAZ-WMLDXEAASA-N 0 3 317.477 3.284 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)cc2F)CC[C@@H]1C ZINC001071665759 686717987 /nfs/dbraw/zinc/71/79/87/686717987.db2.gz HRNKLPDHUOFWSJ-GXTWGEPZSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)c(F)c2)CC[C@H]1C ZINC001071665050 686718389 /nfs/dbraw/zinc/71/83/89/686718389.db2.gz AQCPJEJPQAHVJJ-ZBFHGGJFSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)noc2C2CC2)CC[C@@H]1C ZINC001071696042 686725838 /nfs/dbraw/zinc/72/58/38/686725838.db2.gz WBOSHAHQDNCEBF-WFASDCNBSA-N 0 3 317.433 3.019 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)CC[C@@H]1C ZINC001071712447 686729699 /nfs/dbraw/zinc/72/96/99/686729699.db2.gz OCUAAQHAHIYDEN-DOTOQJQBSA-N 0 3 323.440 3.082 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)CC[C@@H]1C ZINC001071792989 686755983 /nfs/dbraw/zinc/75/59/83/686755983.db2.gz SHUVRCKWIGMAHF-ROUUACIJSA-N 0 3 314.473 3.309 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3ccccc3c2)CC[C@H]1C ZINC001071846311 686769988 /nfs/dbraw/zinc/76/99/88/686769988.db2.gz ABJSWEHIUIUVJK-CRAIPNDOSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cccc2C)CC[C@@H]1C ZINC001071845265 686770119 /nfs/dbraw/zinc/77/01/19/686770119.db2.gz ZJUHULKMMRCHQS-IRXDYDNUSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OCC)c2)CC[C@@H]1C ZINC001071854989 686772203 /nfs/dbraw/zinc/77/22/03/686772203.db2.gz JDDGWFKWHJYPFF-RDJZCZTQSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)ccc2F)CC[C@@H]1C ZINC001071855152 686773298 /nfs/dbraw/zinc/77/32/98/686773298.db2.gz LMTHKNJACBFBEQ-GJZGRUSLSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2sc(C)cc2OC)CC[C@@H]1C ZINC001071869955 686777386 /nfs/dbraw/zinc/77/73/86/686777386.db2.gz 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ZINC001072019587 686824476 /nfs/dbraw/zinc/82/44/76/686824476.db2.gz LPMKAVVXCWNBSS-JXFKEZNVSA-N 0 3 320.436 3.446 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(Cl)c2)CC[C@@H]1C ZINC001072019038 686824840 /nfs/dbraw/zinc/82/48/40/686824840.db2.gz BMHLDEXJHMWATI-XJKSGUPXSA-N 0 3 306.837 3.499 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C(C)C)cc2)CC[C@H]1C ZINC001072019786 686827006 /nfs/dbraw/zinc/82/70/06/686827006.db2.gz OBZARGQFIMGHEH-VQIMIIECSA-N 0 3 312.457 3.416 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc3c(s2)CCC3)CC[C@@H]1C ZINC001072047732 686843358 /nfs/dbraw/zinc/84/33/58/686843358.db2.gz GMSITNIUMNXMRY-ZFWWWQNUSA-N 0 3 318.486 3.396 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072050110 686845910 /nfs/dbraw/zinc/84/59/10/686845910.db2.gz SUNNEJJSJWUFLO-PKOBYXMFSA-N 0 3 314.473 3.391 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072050550 686845971 /nfs/dbraw/zinc/84/59/71/686845971.db2.gz ZCOCAAUWLYUGBC-WMZOPIPTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2nc(C)c(C)s2)CC[C@@H]1C ZINC001072088521 686859036 /nfs/dbraw/zinc/85/90/36/686859036.db2.gz MVMJKYGPONNNHI-SWLSCSKDSA-N 0 3 321.490 3.309 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2CC)CC[C@H]1C ZINC001072098864 686864683 /nfs/dbraw/zinc/86/46/83/686864683.db2.gz HLJFIPYROVWQBR-HIFRSBDPSA-N 0 3 306.475 3.469 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)CC[C@@H]1C ZINC001072103264 686867643 /nfs/dbraw/zinc/86/76/43/686867643.db2.gz VUSGUAJXWUYNOE-GJZGRUSLSA-N 0 3 311.429 3.245 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cnc(C(C)C)s2)CC[C@H]1C ZINC001072127632 686877876 /nfs/dbraw/zinc/87/78/76/686877876.db2.gz WAYBGLQIGYDPKO-ZIAGYGMSSA-N 0 3 321.490 3.425 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cscc3C(F)F)C2)C1 ZINC001072743456 686955970 /nfs/dbraw/zinc/95/59/70/686955970.db2.gz OWPJNDZCHKVFCA-UHFFFAOYSA-N 0 3 312.385 3.020 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc4ccccc4s3)C2)C1 ZINC001072901132 686978085 /nfs/dbraw/zinc/97/80/85/686978085.db2.gz ZZHXIOWGZZDZCH-UHFFFAOYSA-N 0 3 312.438 3.235 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)c3ccccc3C)C2)C1 ZINC001073031323 687002646 /nfs/dbraw/zinc/00/26/46/687002646.db2.gz BSRMDYJFRKFBHP-KRWDZBQOSA-N 0 3 312.457 3.209 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@]3(C)CCCc4ccccc43)C2)C1 ZINC001073060880 687006845 /nfs/dbraw/zinc/00/68/45/687006845.db2.gz PBCUZOXARQRSNI-FQEVSTJZSA-N 0 3 324.468 3.001 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C)c(C)c3Cl)C2)C1 ZINC001073124672 687015071 /nfs/dbraw/zinc/01/50/71/687015071.db2.gz YBVXQCCHWMLHHM-UHFFFAOYSA-N 0 3 318.848 3.291 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3C)[C@@H]2C1 ZINC001076200974 687494060 /nfs/dbraw/zinc/49/40/60/687494060.db2.gz ARIZBFQGCZWOOG-WMLDXEAASA-N 0 3 318.848 3.371 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001076204057 687494927 /nfs/dbraw/zinc/49/49/27/687494927.db2.gz PTJBGGVTANYUGN-JLJPHGGASA-N 0 3 318.848 3.162 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)n(C(C)C)c3C)[C@@H]2C1 ZINC001076550114 687537988 /nfs/dbraw/zinc/53/79/88/687537988.db2.gz QUNFTXAWJRIPSW-FUHWJXTLSA-N 0 3 315.461 3.018 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC(c4ccccc4)C3)[C@@H]2C1 ZINC001076631016 687546453 /nfs/dbraw/zinc/54/64/53/687546453.db2.gz CMCUCWNQUBJFGG-DCCYDQLOSA-N 0 3 324.468 3.289 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccsc2)C12CCC2 ZINC001078540952 687679627 /nfs/dbraw/zinc/67/96/27/687679627.db2.gz IWLLLIWOQUTNHF-CHWSQXEVSA-N 0 3 310.850 3.131 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(F)CCCC2)C12CCC2 ZINC001078663917 687699468 /nfs/dbraw/zinc/69/94/68/687699468.db2.gz WGVPUARIAAYDJC-OLZOCXBDSA-N 0 3 314.832 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C2CC2)C12CCC2 ZINC001078706186 687708659 /nfs/dbraw/zinc/70/86/59/687708659.db2.gz ZIKXZCWFHRFOTI-KBPBESRZSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001080115953 687921578 /nfs/dbraw/zinc/92/15/78/687921578.db2.gz KQKBDAOOJSIWFE-CZUORRHYSA-N 0 3 322.399 3.179 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001080258221 687935744 /nfs/dbraw/zinc/93/57/44/687935744.db2.gz VRNVWCVGGHNCEI-RHSMWYFYSA-N 0 3 318.848 3.030 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001080391606 687969814 /nfs/dbraw/zinc/96/98/14/687969814.db2.gz TWWFCMZDBKPLDJ-VQIMIIECSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001080499668 687986682 /nfs/dbraw/zinc/98/66/82/687986682.db2.gz JKUYKMHXDLMXHN-IAQYHMDHSA-N 0 3 310.800 3.105 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c3occc32)C1 ZINC001080766187 688011157 /nfs/dbraw/zinc/01/11/57/688011157.db2.gz FEKPQYPAFVMTLG-IAQYHMDHSA-N 0 3 318.804 3.322 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CCC(CCCC)CC2)C1 ZINC001080900937 688027133 /nfs/dbraw/zinc/02/71/33/688027133.db2.gz BVTHGFXURZBUDK-LWSMDNFKSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001080974306 688031394 /nfs/dbraw/zinc/03/13/94/688031394.db2.gz QWBUPIUAXKZBSF-XJKCOSOUSA-N 0 3 306.837 3.066 20 30 DGEDHN C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@H](N)CCCCC#N ZINC001576863010 1191872156 /nfs/dbraw/zinc/87/21/56/1191872156.db2.gz RPRUGZMVAMRNCF-BXUZGUMPSA-N 0 3 305.809 3.029 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC001577426762 1191900583 /nfs/dbraw/zinc/90/05/83/1191900583.db2.gz WEPTWQGXYTWYTE-CVEARBPZSA-N 0 3 312.498 3.338 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001577426856 1191900880 /nfs/dbraw/zinc/90/08/80/1191900880.db2.gz YQKXDNNBHMEMJV-XDNAFOTISA-N 0 3 324.509 3.216 20 30 DGEDHN CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H](N)CCCC#N)o1 ZINC001578255599 1191934888 /nfs/dbraw/zinc/93/48/88/1191934888.db2.gz VAEPXBNHGCSFPP-JKSUJKDBSA-N 0 3 317.433 3.307 20 30 DGEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1-c1ccncc1 ZINC001579626473 1191983300 /nfs/dbraw/zinc/98/33/00/1191983300.db2.gz RJOQGEWYFYABQE-GOSISDBHSA-N 0 3 322.412 3.407 20 30 DGEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)N ZINC001579639646 1191983792 /nfs/dbraw/zinc/98/37/92/1191983792.db2.gz QOZMCGHHSDRCHX-UHFFFAOYSA-N 0 3 309.369 3.335 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC001580050796 1192004804 /nfs/dbraw/zinc/00/48/04/1192004804.db2.gz LRAAOXRSRSLQIY-QZTJIDSGSA-N 0 3 321.424 3.355 20 30 DGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001620646968 1192057951 /nfs/dbraw/zinc/05/79/51/1192057951.db2.gz YFYZIHZEZDICCQ-CYBMUJFWSA-N 0 3 305.378 3.210 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001584323723 1192189896 /nfs/dbraw/zinc/18/98/96/1192189896.db2.gz XRJGKWSOJCAQHM-WSTZPKSXSA-N 0 3 312.457 3.322 20 30 DGEDHN CCC[C@@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001662350866 1196711236 /nfs/dbraw/zinc/71/12/36/1196711236.db2.gz OFBAUKORZKGFFL-XJKSGUPXSA-N 0 3 321.490 3.286 20 30 DGEDHN CN(C)Cc1ccccc1CNC(=O)[C@H](CC#N)c1ccccc1 ZINC001585138155 1192243994 /nfs/dbraw/zinc/24/39/94/1192243994.db2.gz WJZWYOWDKPJYNJ-LJQANCHMSA-N 0 3 321.424 3.062 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001663192438 1196809650 /nfs/dbraw/zinc/80/96/50/1196809650.db2.gz FSDRMASDCPBIHR-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588559792 1192449784 /nfs/dbraw/zinc/44/97/84/1192449784.db2.gz LKGBFQYYJKFLAE-DGCLKSJQSA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588559792 1192449786 /nfs/dbraw/zinc/44/97/86/1192449786.db2.gz LKGBFQYYJKFLAE-DGCLKSJQSA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558959 1192450386 /nfs/dbraw/zinc/45/03/86/1192450386.db2.gz FVMFRMZDHPAMEU-UMVBOHGHSA-N 0 3 312.421 3.047 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558959 1192450388 /nfs/dbraw/zinc/45/03/88/1192450388.db2.gz FVMFRMZDHPAMEU-UMVBOHGHSA-N 0 3 312.421 3.047 20 30 DGEDHN CCCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590592551 1192527730 /nfs/dbraw/zinc/52/77/30/1192527730.db2.gz YFJSOQQTFKEOPW-UHFFFAOYSA-N 0 3 305.401 3.456 20 30 DGEDHN CCCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590592551 1192527732 /nfs/dbraw/zinc/52/77/32/1192527732.db2.gz YFJSOQQTFKEOPW-UHFFFAOYSA-N 0 3 305.401 3.456 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001772512874 1176080140 /nfs/dbraw/zinc/08/01/40/1176080140.db2.gz YNQWBOCFVAFIKE-CQSZACIVSA-N 0 3 322.399 3.095 20 30 DGEDHN CCC(CC)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001670451199 1176140185 /nfs/dbraw/zinc/14/01/85/1176140185.db2.gz QJVQQTPFYZGLNZ-MRXNPFEDSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1ccc(Cl)cc1 ZINC001670672189 1176209898 /nfs/dbraw/zinc/20/98/98/1176209898.db2.gz JOUVLUVYLOUHKO-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001691053656 1176279332 /nfs/dbraw/zinc/27/93/32/1176279332.db2.gz UDQPDIRONQWPER-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001691056056 1176280833 /nfs/dbraw/zinc/28/08/33/1176280833.db2.gz UMOCTOVDCLLQMB-MRXNPFEDSA-N 0 3 318.486 3.017 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001691075651 1176295829 /nfs/dbraw/zinc/29/58/29/1176295829.db2.gz ULBWYHBIOWHCLV-PKOBYXMFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001691084202 1176300283 /nfs/dbraw/zinc/30/02/83/1176300283.db2.gz PZXCFXFXYJSBRY-XBXGTLAGSA-N 0 3 324.827 3.430 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(Cc2ccccc2)CCC1 ZINC001691082285 1176300752 /nfs/dbraw/zinc/30/07/52/1176300752.db2.gz HQVJOAYMIWKMMZ-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001691098096 1176309257 /nfs/dbraw/zinc/30/92/57/1176309257.db2.gz ZBAFEGRHSLVRNW-DLBZAZTESA-N 0 3 322.493 3.271 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC001691112610 1176322048 /nfs/dbraw/zinc/32/20/48/1176322048.db2.gz IQFWCBIPDQSWTN-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cccn1CC)c1ccccc1 ZINC001691800327 1176364305 /nfs/dbraw/zinc/36/43/05/1176364305.db2.gz IFVMIWKSNJWDKI-QGZVFWFLSA-N 0 3 311.429 3.145 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(Cl)c1C ZINC001691181544 1176365754 /nfs/dbraw/zinc/36/57/54/1176365754.db2.gz WRGDFWMSHGAZJZ-UHFFFAOYSA-N 0 3 306.837 3.114 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001266876041 1176367287 /nfs/dbraw/zinc/36/72/87/1176367287.db2.gz FIMBSMXLTRYETE-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCCCC(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001691220754 1176399145 /nfs/dbraw/zinc/39/91/45/1176399145.db2.gz FVMKIOFZVDSNCA-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC001691246934 1176412118 /nfs/dbraw/zinc/41/21/18/1176412118.db2.gz DPZOZZRJLTZCPZ-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001691261273 1176416880 /nfs/dbraw/zinc/41/68/80/1176416880.db2.gz UTWRRWDFKMTPJA-IJEWVQPXSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001691288599 1176425305 /nfs/dbraw/zinc/42/53/05/1176425305.db2.gz CBDDSZHCSGHEKN-RDJZCZTQSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001691288598 1176425822 /nfs/dbraw/zinc/42/58/22/1176425822.db2.gz CBDDSZHCSGHEKN-NVXWUHKLSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[NH2+][C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001691772934 1176436255 /nfs/dbraw/zinc/43/62/55/1176436255.db2.gz SJUOGQACEXKXMC-QGZVFWFLSA-N 0 3 310.397 3.029 20 30 DGEDHN C=CCCCCCN1CC[C@@](C)(NC(=O)c2scnc2C)C1 ZINC001671613402 1176499280 /nfs/dbraw/zinc/49/92/80/1176499280.db2.gz CNFFBUJJJLBUHV-QGZVFWFLSA-N 0 3 321.490 3.392 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@H]1CN(C)CC=C(C)C ZINC001750936050 1176567809 /nfs/dbraw/zinc/56/78/09/1176567809.db2.gz IJCPCVSOGKAGLZ-SFHVURJKSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)CCC)C1CCN(CC(=C)C)CC1 ZINC001754635502 1176652236 /nfs/dbraw/zinc/65/22/36/1176652236.db2.gz NYEWASWDHMGAMQ-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C2=CCCC2)cc1 ZINC001755047886 1176730671 /nfs/dbraw/zinc/73/06/71/1176730671.db2.gz SSZNAELPMYNAFC-UHFFFAOYSA-N 0 3 310.441 3.281 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2oc(C(C)C)nc2C)C1 ZINC001691489199 1176787070 /nfs/dbraw/zinc/78/70/70/1176787070.db2.gz RWMMKVOEFMZZFL-SHTZXODSSA-N 0 3 319.449 3.057 20 30 DGEDHN C=CCC[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001670780354 1176837709 /nfs/dbraw/zinc/83/77/09/1176837709.db2.gz SSFRCKYBKAOKDN-ROUUACIJSA-N 0 3 315.461 3.477 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccccc2F)CCCC1 ZINC001753510452 1176904481 /nfs/dbraw/zinc/90/44/81/1176904481.db2.gz VFVXOHIGGBGCBJ-UHFFFAOYSA-N 0 3 324.827 3.139 20 30 DGEDHN C#CCC1(C(=O)N(C)[C@@H](C)CNC[C@H](F)CC)CCCCC1 ZINC001753728045 1176942214 /nfs/dbraw/zinc/94/22/14/1176942214.db2.gz OGEIULYPYUWGTD-JKSUJKDBSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001691517614 1177051075 /nfs/dbraw/zinc/05/10/75/1177051075.db2.gz UGVZJOYEVQDELZ-KOMQPUFPSA-N 0 3 304.409 3.166 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)[C@H]1CC ZINC001691522165 1177079865 /nfs/dbraw/zinc/07/98/65/1177079865.db2.gz WPHDFWDMOHZCEX-PXIXMTEYSA-N 0 3 324.468 3.391 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001671671746 1177114125 /nfs/dbraw/zinc/11/41/25/1177114125.db2.gz BDWHPLRIEYRFII-DNVCBOLYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1ccncc1 ZINC001752822013 1177204552 /nfs/dbraw/zinc/20/45/52/1177204552.db2.gz XJCFEFWYFSYSTO-FUHWJXTLSA-N 0 3 315.461 3.122 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001670850509 1177230430 /nfs/dbraw/zinc/23/04/30/1177230430.db2.gz LFKPZERARUKOAQ-GOSISDBHSA-N 0 3 315.461 3.039 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H](CC)C(C)(C)C)C[C@@H]2C1 ZINC001691578544 1177317782 /nfs/dbraw/zinc/31/77/82/1177317782.db2.gz CJVJRIAKDAFDOR-SQNIBIBYSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[C@@H](C)SC)C1 ZINC001691617568 1177329432 /nfs/dbraw/zinc/32/94/32/1177329432.db2.gz NIPOLXVIPAHLCN-KGLIPLIRSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@H](NCc2ccns2)C1 ZINC001691621348 1177332634 /nfs/dbraw/zinc/33/26/34/1177332634.db2.gz VXEWQWDQWVOIDE-HNNXBMFYSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001670863791 1177376863 /nfs/dbraw/zinc/37/68/63/1177376863.db2.gz CHYSQDFPSJXIMP-UHFFFAOYSA-N 0 3 300.446 3.336 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001671694730 1177566583 /nfs/dbraw/zinc/56/65/83/1177566583.db2.gz WOKPXIGGTFJYGM-KXBFYZLASA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001671039395 1177579294 /nfs/dbraw/zinc/57/92/94/1177579294.db2.gz MZQYSXCJNPPWGR-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](F)c1ccccc1 ZINC001691661811 1177605015 /nfs/dbraw/zinc/60/50/15/1177605015.db2.gz YNRQJARWKQBLNY-IRXDYDNUSA-N 0 3 304.409 3.196 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC001687502876 1177623680 /nfs/dbraw/zinc/62/36/80/1177623680.db2.gz HSVLCVRZAQFNGL-UHFFFAOYSA-N 0 3 321.465 3.345 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)CC(C)C)C2)CC1 ZINC001691691086 1177689812 /nfs/dbraw/zinc/68/98/12/1177689812.db2.gz XRAKAOASZQORGI-ROUUACIJSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1[nH]ccc1C ZINC001691721718 1177884349 /nfs/dbraw/zinc/88/43/49/1177884349.db2.gz NEARFOQGSPLPEC-WFASDCNBSA-N 0 3 323.868 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2ccccc2C)C1 ZINC001691742701 1177988136 /nfs/dbraw/zinc/98/81/36/1177988136.db2.gz HEYYVZQIUQULLM-WOVMCDHWSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c[nH]cc1C1CC1 ZINC001330945675 1178096911 /nfs/dbraw/zinc/09/69/11/1178096911.db2.gz JFQAGVQEUWVBCX-GFCCVEGCSA-N 0 3 309.841 3.133 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001331405507 1178205748 /nfs/dbraw/zinc/20/57/48/1178205748.db2.gz KYLBJRLQMLWSRB-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc2ccccc21 ZINC001331474280 1178222136 /nfs/dbraw/zinc/22/21/36/1178222136.db2.gz JSIPISIZUXOBQK-ZWKOTPCHSA-N 0 3 309.413 3.428 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccc(C)nc1C ZINC001331549183 1178243530 /nfs/dbraw/zinc/24/35/30/1178243530.db2.gz VHNPXHXCOLOOLJ-KXBFYZLASA-N 0 3 317.477 3.237 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccc(C)nc1C ZINC001331549182 1178244175 /nfs/dbraw/zinc/24/41/75/1178244175.db2.gz VHNPXHXCOLOOLJ-HNAYVOBHSA-N 0 3 317.477 3.237 20 30 DGEDHN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[C@H]1C#N ZINC001331803749 1178283338 /nfs/dbraw/zinc/28/33/38/1178283338.db2.gz WBBZYUPQMLQEQP-JYJNAYRXSA-N 0 3 321.465 3.258 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)[C@H]1C ZINC001331857814 1178292998 /nfs/dbraw/zinc/29/29/98/1178292998.db2.gz BUECOLBNFZRVQF-RHSMWYFYSA-N 0 3 312.413 3.478 20 30 DGEDHN C=CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001331953563 1178318909 /nfs/dbraw/zinc/31/89/09/1178318909.db2.gz KRMGLHJRTWLMQV-HZPDHXFCSA-N 0 3 316.445 3.331 20 30 DGEDHN CC(C)=CC(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001332066520 1178349788 /nfs/dbraw/zinc/34/97/88/1178349788.db2.gz APMANFXMPAQYCY-UYAOXDASSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)C(C)(F)F)[C@H]1C ZINC001332162889 1178376602 /nfs/dbraw/zinc/37/66/02/1178376602.db2.gz YMPAQLBFECNSCG-ZIAGYGMSSA-N 0 3 302.409 3.357 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)[C@H]1C ZINC001332175858 1178381767 /nfs/dbraw/zinc/38/17/67/1178381767.db2.gz KGZLCEIMPCCEIC-PKOBYXMFSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(F)c(C)cc1F)C(C)C ZINC001332711276 1178479357 /nfs/dbraw/zinc/47/93/57/1178479357.db2.gz PUTTXQJSCGQZIZ-UHFFFAOYSA-N 0 3 310.388 3.242 20 30 DGEDHN C#CCCN(C)CCN(C(=O)CCc1ccc(C)cc1)C(C)C ZINC001332720072 1178482092 /nfs/dbraw/zinc/48/20/92/1178482092.db2.gz JZEANQKCSBYNSY-UHFFFAOYSA-N 0 3 314.473 3.120 20 30 DGEDHN CC(C)CCC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333028065 1178542121 /nfs/dbraw/zinc/54/21/21/1178542121.db2.gz DTYOBTOXVIMGEI-UHFFFAOYSA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C2(c3ccc(C)cc3)CCC2)CC1 ZINC001333458797 1178608478 /nfs/dbraw/zinc/60/84/78/1178608478.db2.gz UANQUMLZDCNSSW-UHFFFAOYSA-N 0 3 324.468 3.351 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CCCC23CC3)c(F)c1 ZINC001333473755 1178610870 /nfs/dbraw/zinc/61/08/70/1178610870.db2.gz SBYKYIWEGLABOU-MRXNPFEDSA-N 0 3 316.420 3.298 20 30 DGEDHN N#CC1(c2ccccn2)CCN(CCc2ccc(F)cc2)CC1 ZINC001333763523 1178669150 /nfs/dbraw/zinc/66/91/50/1178669150.db2.gz UOCAHZAJKMVQIZ-UHFFFAOYSA-N 0 3 309.388 3.321 20 30 DGEDHN C=C(C)CN(C)C(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001334787319 1178798402 /nfs/dbraw/zinc/79/84/02/1178798402.db2.gz LKEDBKRVIPIANT-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC001335971865 1178977137 /nfs/dbraw/zinc/97/71/37/1178977137.db2.gz YXINZJIDRRUKMU-MRXNPFEDSA-N 0 3 306.475 3.484 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC001341431399 1179007741 /nfs/dbraw/zinc/00/77/41/1179007741.db2.gz WLFRVKYKPGXXJT-CQSZACIVSA-N 0 3 318.808 3.148 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC001341484936 1179016273 /nfs/dbraw/zinc/01/62/73/1179016273.db2.gz DSIYUJGOIFJBBI-HIFRSBDPSA-N 0 3 313.401 3.202 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ncccc1C)C(C)(C)C ZINC001341525259 1179022964 /nfs/dbraw/zinc/02/29/64/1179022964.db2.gz DZEOLRXDHSQEID-OCCSQVGLSA-N 0 3 309.841 3.063 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC001341578648 1179031464 /nfs/dbraw/zinc/03/14/64/1179031464.db2.gz DVWODEAKLYGIIT-COXVUDFISA-N 0 3 304.409 3.419 20 30 DGEDHN CC[C@@H]1CCCc2sc(NC(=O)[C@H](N)CCCCC#N)nc21 ZINC001341780841 1179060984 /nfs/dbraw/zinc/06/09/84/1179060984.db2.gz POMXNUFMCPGMFQ-VXGBXAGGSA-N 0 3 320.462 3.323 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccn(C(C)C)n3)nc21 ZINC001341787031 1179062330 /nfs/dbraw/zinc/06/23/30/1179062330.db2.gz SDQLYQSGJPNJRK-AWEZNQCLSA-N 0 3 321.384 3.068 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3ccn(C(C)C)n3)[nH]c21 ZINC001341787031 1179062336 /nfs/dbraw/zinc/06/23/36/1179062336.db2.gz SDQLYQSGJPNJRK-AWEZNQCLSA-N 0 3 321.384 3.068 20 30 DGEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1csc2ccccc21 ZINC001341949160 1179083827 /nfs/dbraw/zinc/08/38/27/1179083827.db2.gz BPDTZVHVCBCIAY-BXUZGUMPSA-N 0 3 301.415 3.100 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001342387920 1179137080 /nfs/dbraw/zinc/13/70/80/1179137080.db2.gz ZGHREYRCNCUJCJ-AEFFLSMTSA-N 0 3 304.409 3.157 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC001343213818 1179244753 /nfs/dbraw/zinc/24/47/53/1179244753.db2.gz NTDSTYYNHSXKKX-CQSZACIVSA-N 0 3 322.474 3.059 20 30 DGEDHN C[C@@H](CC#N)C(=O)OC[C@H]1CCCCN1Cc1ccccc1 ZINC001343409665 1179268830 /nfs/dbraw/zinc/26/88/30/1179268830.db2.gz USAUWDFNDMGJET-DOTOQJQBSA-N 0 3 300.402 3.134 20 30 DGEDHN N#CC(C(=O)C1=COCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369469 1179422229 /nfs/dbraw/zinc/42/22/29/1179422229.db2.gz WQCBDRHEDLXAEE-SNVBAGLBSA-N 0 3 301.733 3.087 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001344590530 1179455500 /nfs/dbraw/zinc/45/55/00/1179455500.db2.gz PHUHZYVPUPXVCZ-HNNXBMFYSA-N 0 3 317.433 3.198 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001345951335 1179629659 /nfs/dbraw/zinc/62/96/59/1179629659.db2.gz KFBVJFSAMPWJBB-HSMVNMDESA-N 0 3 312.394 3.454 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCC(=O)c1cc(C)ccc1C ZINC001346095492 1179651950 /nfs/dbraw/zinc/65/19/50/1179651950.db2.gz FHKFMHGMQJRMSA-INIZCTEOSA-N 0 3 323.396 3.359 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001346272556 1179678851 /nfs/dbraw/zinc/67/88/51/1179678851.db2.gz YTVGJFFXFPYORP-GXTWGEPZSA-N 0 3 303.431 3.070 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001350314868 1180050877 /nfs/dbraw/zinc/05/08/77/1180050877.db2.gz RRQJAZQNPNCVJQ-UHFFFAOYSA-N 0 3 310.507 3.067 20 30 DGEDHN Cc1nc2ccccn2c1CNC1CC(C#N)(c2ccccc2)C1 ZINC001352112642 1180297543 /nfs/dbraw/zinc/29/75/43/1180297543.db2.gz NUNLYYRLWOELDB-UHFFFAOYSA-N 0 3 316.408 3.356 20 30 DGEDHN CCCCCCCCCCC(=O)N[C@H]1CCN(CC)C[C@H]1O ZINC001100083184 1180366025 /nfs/dbraw/zinc/36/60/25/1180366025.db2.gz OIQPGCLSWYTFDQ-DLBZAZTESA-N 0 3 312.498 3.089 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001100084862 1180366853 /nfs/dbraw/zinc/36/68/53/1180366853.db2.gz BYNQAZZOJRPJGW-QZTJIDSGSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cccc(Cl)c1 ZINC001480323895 1180368955 /nfs/dbraw/zinc/36/89/55/1180368955.db2.gz MLUUJTALZAYGGL-INIZCTEOSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2cc(F)ccc2Cl)C1 ZINC001100170440 1180418124 /nfs/dbraw/zinc/41/81/24/1180418124.db2.gz OCAOHVOKZHXOPQ-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN CCC(=CC(=O)NCC1CC(NCC#Cc2ccccc2)C1)CC ZINC001100241514 1180479035 /nfs/dbraw/zinc/47/90/35/1180479035.db2.gz WLNOBVMDWVTLAS-UHFFFAOYSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCCCC(=O)NCC1CC(NCc2ccccc2Cl)C1 ZINC001100283144 1180526729 /nfs/dbraw/zinc/52/67/29/1180526729.db2.gz CHCBMHYCDNTBNB-UHFFFAOYSA-N 0 3 318.848 3.128 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1cnc(-c2ccccc2)s1 ZINC001353381008 1180543485 /nfs/dbraw/zinc/54/34/85/1180543485.db2.gz GAAXSDAHCUIUNE-HNNXBMFYSA-N 0 3 315.442 3.110 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC001353644271 1180614176 /nfs/dbraw/zinc/61/41/76/1180614176.db2.gz BCWBCGYQXZBCLA-IAGOWNOFSA-N 0 3 301.434 3.209 20 30 DGEDHN CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001604053804 1193046762 /nfs/dbraw/zinc/04/67/62/1193046762.db2.gz FLPRXKBERMFPAQ-OAHLLOKOSA-N 0 3 312.421 3.237 20 30 DGEDHN CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001604053804 1193046767 /nfs/dbraw/zinc/04/67/67/1193046767.db2.gz FLPRXKBERMFPAQ-OAHLLOKOSA-N 0 3 312.421 3.237 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2ccc(C)cc2)C1 ZINC001100493520 1180731098 /nfs/dbraw/zinc/73/10/98/1180731098.db2.gz WWMNVDUQDRVZGB-UHFFFAOYSA-N 0 3 320.864 3.165 20 30 DGEDHN Cc1cc(F)cc(NC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC001354227096 1180751451 /nfs/dbraw/zinc/75/14/51/1180751451.db2.gz KPHNGFLELJYPMM-UHFFFAOYSA-N 0 3 324.403 3.477 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100595031 1180834277 /nfs/dbraw/zinc/83/42/77/1180834277.db2.gz KCZGJVLHAZRPDG-PNESKVBLSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100595030 1180834785 /nfs/dbraw/zinc/83/47/85/1180834785.db2.gz KCZGJVLHAZRPDG-HIFPTAJRSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001100636015 1180874581 /nfs/dbraw/zinc/87/45/81/1180874581.db2.gz SFMYXKKBSCLJBF-UHFFFAOYSA-N 0 3 320.864 3.083 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100711390 1180956103 /nfs/dbraw/zinc/95/61/03/1180956103.db2.gz NGIMIGKBEWDGRK-UHFFFAOYSA-N 0 3 324.468 3.125 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](F)C2)c1 ZINC001356120173 1181143346 /nfs/dbraw/zinc/14/33/46/1181143346.db2.gz WFAYAFIDJRLLPW-GZBFAFLISA-N 0 3 302.349 3.171 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001357273287 1181378271 /nfs/dbraw/zinc/37/82/71/1181378271.db2.gz IFYHLPGBLBXADQ-UPJWGTAASA-N 0 3 306.372 3.155 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C ZINC001357809981 1181430132 /nfs/dbraw/zinc/43/01/32/1181430132.db2.gz AWLCJBPXXVZJFS-INIZCTEOSA-N 0 3 312.417 3.111 20 30 DGEDHN N#CCCc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC001358147681 1181460577 /nfs/dbraw/zinc/46/05/77/1181460577.db2.gz HSFDBFULZZFHOW-SFHVURJKSA-N 0 3 305.381 3.316 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001480614997 1181641980 /nfs/dbraw/zinc/64/19/80/1181641980.db2.gz UWCPGHSPTICPKN-GJZGRUSLSA-N 0 3 318.848 3.251 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001480614996 1181642344 /nfs/dbraw/zinc/64/23/44/1181642344.db2.gz UWCPGHSPTICPKN-CABCVRRESA-N 0 3 318.848 3.251 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC001480733944 1181688365 /nfs/dbraw/zinc/68/83/65/1181688365.db2.gz WPRDJZJELPDETF-GOSISDBHSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1cc(C)cc(C)c1 ZINC001448879849 1182217743 /nfs/dbraw/zinc/21/77/43/1182217743.db2.gz ANPMLFSACZKOFN-UHFFFAOYSA-N 0 3 302.462 3.202 20 30 DGEDHN CN1CCN(C(=O)CC2(C#N)CCCCC2)CC12CCCCC2 ZINC001449890620 1182235669 /nfs/dbraw/zinc/23/56/69/1182235669.db2.gz FPEZIWCFYQEXOQ-UHFFFAOYSA-N 0 3 317.477 3.327 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H](CCC)c1ccc(Cl)cc1 ZINC001450486969 1182250640 /nfs/dbraw/zinc/25/06/40/1182250640.db2.gz LLDPDLRYBGCZFW-QGZVFWFLSA-N 0 3 320.864 3.295 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001456055101 1182395748 /nfs/dbraw/zinc/39/57/48/1182395748.db2.gz LRDFUIZDOKRJMZ-UHFFFAOYSA-N 0 3 324.415 3.457 20 30 DGEDHN CN(CCNc1cc(F)ccc1C#N)Cc1ccc(F)cc1 ZINC001458231597 1182507264 /nfs/dbraw/zinc/50/72/64/1182507264.db2.gz QVELBROHDMCQCI-UHFFFAOYSA-N 0 3 301.340 3.380 20 30 DGEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC001459406629 1182585110 /nfs/dbraw/zinc/58/51/10/1182585110.db2.gz OUVJYIXNQBCEGV-FUHWJXTLSA-N 0 3 317.404 3.240 20 30 DGEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC001459406634 1182585485 /nfs/dbraw/zinc/58/54/85/1182585485.db2.gz OUVJYIXNQBCEGV-WMZOPIPTSA-N 0 3 317.404 3.240 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC001459808579 1182618399 /nfs/dbraw/zinc/61/83/99/1182618399.db2.gz LLEAYCWOKHXROI-FDQGKXFDSA-N 0 3 319.424 3.309 20 30 DGEDHN C#C[C@H](NCc1ccc(N2CCCCC2)c(C)c1)[C@@H]1CCCO1 ZINC001459982868 1182637884 /nfs/dbraw/zinc/63/78/84/1182637884.db2.gz JHMPGXKHUQSENO-ICSRJNTNSA-N 0 3 312.457 3.256 20 30 DGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC001460290625 1182672800 /nfs/dbraw/zinc/67/28/00/1182672800.db2.gz SZPKWUWMEKRHPQ-FGTMMUONSA-N 0 3 324.468 3.478 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@]1(C)C1CCCCC1 ZINC001460688939 1182707638 /nfs/dbraw/zinc/70/76/38/1182707638.db2.gz XRYCIRUHLRJZLT-YJBOKZPZSA-N 0 3 305.466 3.039 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC001460758454 1182717961 /nfs/dbraw/zinc/71/79/61/1182717961.db2.gz LUJHYGBOYCJRKT-BRWVUGGUSA-N 0 3 310.441 3.088 20 30 DGEDHN CCCCCCCCC[NH+]1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001460790274 1182723457 /nfs/dbraw/zinc/72/34/57/1182723457.db2.gz PEAISVZFVAGPAX-UHFFFAOYSA-N 0 3 320.481 3.363 20 30 DGEDHN C#C[C@@H]1CCCCN1Cc1ccc(C(=O)OC)c2cccnc12 ZINC001460918128 1182740564 /nfs/dbraw/zinc/74/05/64/1182740564.db2.gz OIACBDHKROBCAR-OAHLLOKOSA-N 0 3 308.381 3.009 20 30 DGEDHN C#Cc1ccc(CN(CC)C[C@H]2COc3ccccc3O2)cc1 ZINC001461877273 1182870124 /nfs/dbraw/zinc/87/01/24/1182870124.db2.gz ZLSBARMXPOVXCS-SFHVURJKSA-N 0 3 307.393 3.330 20 30 DGEDHN CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN(CCC#N)CC1CC1 ZINC001461896642 1182873121 /nfs/dbraw/zinc/87/31/21/1182873121.db2.gz JYGXWZLNBCNDNW-INIZCTEOSA-N 0 3 323.481 3.409 20 30 DGEDHN N#Cc1cccc(CNCCn2ccc3cc(Cl)ccc32)n1 ZINC001462218912 1182925404 /nfs/dbraw/zinc/92/54/04/1182925404.db2.gz LZYSILBMCRYKEG-UHFFFAOYSA-N 0 3 310.788 3.351 20 30 DGEDHN CCOC(=O)C1(C)CC(NCc2ccc(SC)c(C#N)c2)C1 ZINC001462576074 1182971766 /nfs/dbraw/zinc/97/17/66/1182971766.db2.gz BRMMTPBEQBCILC-UHFFFAOYSA-N 0 3 318.442 3.102 20 30 DGEDHN C=CCCCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001470044513 1183457288 /nfs/dbraw/zinc/45/72/88/1183457288.db2.gz SEJGLBBRMSDUMT-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001473842894 1183811221 /nfs/dbraw/zinc/81/12/21/1183811221.db2.gz GNBSJQBDVONHFR-WESCHGGQSA-N 0 3 323.440 3.253 20 30 DGEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2CC1(CC#N)CC1 ZINC001473875700 1183815709 /nfs/dbraw/zinc/81/57/09/1183815709.db2.gz VZXOESYUQPDECM-UHFFFAOYSA-N 0 3 319.449 3.202 20 30 DGEDHN Cc1ccccc1OCCNCc1cc(C#N)ccc1N(C)C ZINC001473951259 1183835667 /nfs/dbraw/zinc/83/56/67/1183835667.db2.gz WNNCNITWENFJLO-UHFFFAOYSA-N 0 3 309.413 3.101 20 30 DGEDHN C[C@H](NC[C@H](C)N(C)C(=O)C#CC(C)(C)C)c1ccccc1F ZINC001496053803 1184087633 /nfs/dbraw/zinc/08/76/33/1184087633.db2.gz JPRNTWCKQZVLRX-GJZGRUSLSA-N 0 3 318.436 3.373 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001477467173 1184091429 /nfs/dbraw/zinc/09/14/29/1184091429.db2.gz QDFJTCFVFQUPGO-QGZVFWFLSA-N 0 3 317.477 3.061 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(F)cc(C)cc1F ZINC001479226753 1184211911 /nfs/dbraw/zinc/21/19/11/1184211911.db2.gz DLLCGIVNOJFPDJ-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(F)cc(C)cc1F ZINC001479226756 1184212481 /nfs/dbraw/zinc/21/24/81/1184212481.db2.gz DLLCGIVNOJFPDJ-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)c1ccccc1 ZINC001479270988 1184224649 /nfs/dbraw/zinc/22/46/49/1184224649.db2.gz QONBMNIDOSJCAG-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001479368545 1184240129 /nfs/dbraw/zinc/24/01/29/1184240129.db2.gz KAXAVPXARNJWJU-HAQNSBGRSA-N 0 3 319.276 3.392 20 30 DGEDHN C[C@@H]1CCN(C(=O)CC2CC2)[C@H](CNCC#Cc2ccccc2)C1 ZINC001479548630 1184267223 /nfs/dbraw/zinc/26/72/23/1184267223.db2.gz CBVSGGGUUOTPMK-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@H]1C ZINC001479725706 1184301893 /nfs/dbraw/zinc/30/18/93/1184301893.db2.gz UBSGPCIFDZTMSC-BBWFWOEESA-N 0 3 324.509 3.230 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC)CC2CCCC2)[C@H]1C ZINC001479721114 1184302255 /nfs/dbraw/zinc/30/22/55/1184302255.db2.gz LSSCDFCMUTYLHI-NXHRZFHOSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)CC(C)(C)C1 ZINC001479743874 1184312332 /nfs/dbraw/zinc/31/23/32/1184312332.db2.gz AWEKVFXTWKNPSH-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(C)c(C)cc1Cl ZINC001479788667 1184325865 /nfs/dbraw/zinc/32/58/65/1184325865.db2.gz APMFOJOAYRQCGJ-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCCN(C)Cc1ccc(C)nc1C ZINC001479794685 1184328745 /nfs/dbraw/zinc/32/87/45/1184328745.db2.gz SKYHUTBDQLAYIZ-LJQANCHMSA-N 0 3 317.477 3.239 20 30 DGEDHN C=CCCC(=O)N(C)C1CCN(Cc2csc(C)c2)CC1 ZINC001479884815 1184364757 /nfs/dbraw/zinc/36/47/57/1184364757.db2.gz MJNNHWJBLADWAX-UHFFFAOYSA-N 0 3 306.475 3.446 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001479911772 1184379026 /nfs/dbraw/zinc/37/90/26/1184379026.db2.gz PRVWXULTEYKRCP-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001479913988 1184381950 /nfs/dbraw/zinc/38/19/50/1184381950.db2.gz AMEJGRRULIDWFY-QZTJIDSGSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001480115213 1184437982 /nfs/dbraw/zinc/43/79/82/1184437982.db2.gz ODRYCJQFMNUZND-YOEHRIQHSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001480143252 1184444280 /nfs/dbraw/zinc/44/42/80/1184444280.db2.gz UYHBZWURBWQNBG-HAQNSBGRSA-N 0 3 312.866 3.495 20 30 DGEDHN CCCCCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480170040 1184450543 /nfs/dbraw/zinc/45/05/43/1184450543.db2.gz RMOYDLNTLZNYAA-WGSAOQKQSA-N 0 3 312.457 3.245 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2scnc2C)C1 ZINC001480261597 1184474060 /nfs/dbraw/zinc/47/40/60/1184474060.db2.gz OFRXYVZFOAQAMS-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(C)CCC(=O)NC1CCC(NCc2conc2CC)CC1 ZINC001480402580 1184522116 /nfs/dbraw/zinc/52/21/16/1184522116.db2.gz HEXOSMNVRPGMEG-UHFFFAOYSA-N 0 3 319.449 3.110 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(C)cccc2Cl)C1 ZINC001480734554 1184592256 /nfs/dbraw/zinc/59/22/56/1184592256.db2.gz HZDHACCBXOSPMN-HNNXBMFYSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC001480740669 1184595563 /nfs/dbraw/zinc/59/55/63/1184595563.db2.gz BQNPFXAZCFKBAO-MRXNPFEDSA-N 0 3 324.424 3.301 20 30 DGEDHN CCC(=CC(=O)NCC[C@H](C)NCc1ccccc1C#N)CC ZINC001480755879 1184599914 /nfs/dbraw/zinc/59/99/14/1184599914.db2.gz GAQQHYUJKROUGM-HNNXBMFYSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccccc1O ZINC001480816754 1184616806 /nfs/dbraw/zinc/61/68/06/1184616806.db2.gz ASNCHSYWZRJROP-AWEZNQCLSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(CCOCC)CCCC1 ZINC001493149408 1184658903 /nfs/dbraw/zinc/65/89/03/1184658903.db2.gz WOHPMAPOCIYYPX-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001493183318 1184664675 /nfs/dbraw/zinc/66/46/75/1184664675.db2.gz AZZFXLJVQCLFKZ-OAHLLOKOSA-N 0 3 306.837 3.244 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C1(CC(C)C)CCCC1 ZINC001493321589 1184687711 /nfs/dbraw/zinc/68/77/11/1184687711.db2.gz IAQRRFWWSUBAHX-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc2scnc21)C1CC1 ZINC001493370707 1184696157 /nfs/dbraw/zinc/69/61/57/1184696157.db2.gz MBJTTYDCQTTWPI-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC001493440045 1184707239 /nfs/dbraw/zinc/70/72/39/1184707239.db2.gz KNOFGQDTJXCNFC-UHFFFAOYSA-N 0 3 312.335 3.086 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)c1ccco1)c1ccccc1 ZINC001493898279 1184761017 /nfs/dbraw/zinc/76/10/17/1184761017.db2.gz JWGJNKVPPIOBSL-NVXWUHKLSA-N 0 3 312.413 3.406 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccsc1C)c1ccccc1 ZINC001493897336 1184761457 /nfs/dbraw/zinc/76/14/57/1184761457.db2.gz FLJGXLWKAPFZHN-QGZVFWFLSA-N 0 3 314.454 3.232 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCC(C)(F)F)C1 ZINC001493955236 1184774699 /nfs/dbraw/zinc/77/46/99/1184774699.db2.gz DXWGWUBNKPFMES-AWEZNQCLSA-N 0 3 302.409 3.311 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001494312582 1184852578 /nfs/dbraw/zinc/85/25/78/1184852578.db2.gz PRLBZGNXCCCSQP-INIZCTEOSA-N 0 3 306.475 3.412 20 30 DGEDHN C=CC1(CC(=O)N[C@H]2CCCN([C@@H](C)COC)C2)CCCCC1 ZINC001494326597 1184854814 /nfs/dbraw/zinc/85/48/14/1184854814.db2.gz TXSOIAOZHDTFIQ-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1 ZINC001494658035 1184899450 /nfs/dbraw/zinc/89/94/50/1184899450.db2.gz DONFDHBEQIMJGK-SNPRPXQTSA-N 0 3 320.383 3.218 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001494718875 1184913050 /nfs/dbraw/zinc/91/30/50/1184913050.db2.gz WWVMKRKNQQMQQX-FUHWJXTLSA-N 0 3 312.457 3.467 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001494770542 1184922869 /nfs/dbraw/zinc/92/28/69/1184922869.db2.gz BRWMRMKQDIBBTK-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(OC)c(C)c2)C1 ZINC001494805641 1184931048 /nfs/dbraw/zinc/93/10/48/1184931048.db2.gz FRUDTBOFTCNRTK-QGZVFWFLSA-N 0 3 316.445 3.003 20 30 DGEDHN C#CCC1(C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)CCCCC1 ZINC001494875386 1184950857 /nfs/dbraw/zinc/95/08/57/1184950857.db2.gz HUOSJCKSYYOILA-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN CCc1cccc(CN2CC[C@@H](N(CC)C(=O)C#CC3CC3)C2)c1 ZINC001494897649 1184956835 /nfs/dbraw/zinc/95/68/35/1184956835.db2.gz QOPRLBLKYPEQEG-HXUWFJFHSA-N 0 3 324.468 3.085 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494913826 1184961234 /nfs/dbraw/zinc/96/12/34/1184961234.db2.gz PKFVGLWGSHLZGT-IRXDYDNUSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001494916517 1184962462 /nfs/dbraw/zinc/96/24/62/1184962462.db2.gz HWWDKNBPLHGGAU-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2cc(F)ccc2F)C1 ZINC001494926907 1184964417 /nfs/dbraw/zinc/96/44/17/1184964417.db2.gz ZHKHMNWRARAPQB-MRXNPFEDSA-N 0 3 322.399 3.006 20 30 DGEDHN O=C(NC1(CNCC#Cc2ccccc2)CCCC1)C1=CCCC1 ZINC001495147806 1185004463 /nfs/dbraw/zinc/00/44/63/1185004463.db2.gz MVHNNZJRMUYSQJ-UHFFFAOYSA-N 0 3 322.452 3.167 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2ncc(C)s2)CC1 ZINC001495466035 1185057944 /nfs/dbraw/zinc/05/79/44/1185057944.db2.gz SDGWERIWFPEROT-HDJSIYSDSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001495560212 1185073903 /nfs/dbraw/zinc/07/39/03/1185073903.db2.gz FGVQBFOKRPXXMP-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001495938706 1185115882 /nfs/dbraw/zinc/11/58/82/1185115882.db2.gz JOXBVXUHCRXDHI-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C#CCCCCC(=O)N(C)[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001496040210 1185128439 /nfs/dbraw/zinc/12/84/39/1185128439.db2.gz HGGXSLVYQHRBPK-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)cc1F ZINC001496053478 1185129904 /nfs/dbraw/zinc/12/99/04/1185129904.db2.gz BEZPGDXFUURXEQ-ZDUSSCGKSA-N 0 3 324.827 3.219 20 30 DGEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)C1CC=CC1 ZINC001496261482 1185156063 /nfs/dbraw/zinc/15/60/63/1185156063.db2.gz DFVNUIFCXNANBM-HXUWFJFHSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC001496373021 1185176897 /nfs/dbraw/zinc/17/68/97/1185176897.db2.gz CEFWHXWDLVOGMJ-KIUWMYQTSA-N 0 3 322.836 3.406 20 30 DGEDHN CC(C)CCC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001496521033 1185205633 /nfs/dbraw/zinc/20/56/33/1185205633.db2.gz BZFNHAFDGUGKMO-LJQANCHMSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(c2ccccc2)CC1)C(C)C ZINC001496634456 1185223925 /nfs/dbraw/zinc/22/39/25/1185223925.db2.gz BISUMHMVKBROCM-MRXNPFEDSA-N 0 3 320.864 3.201 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)oc1C(F)(F)F ZINC001496793014 1185248472 /nfs/dbraw/zinc/24/84/72/1185248472.db2.gz VGOULCBXHBHRMX-UHFFFAOYSA-N 0 3 318.339 3.187 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001496837401 1185255867 /nfs/dbraw/zinc/25/58/67/1185255867.db2.gz GEEGHTCBCYSISY-HKUYNNGSSA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001496837404 1185256781 /nfs/dbraw/zinc/25/67/81/1185256781.db2.gz GEEGHTCBCYSISY-PKOBYXMFSA-N 0 3 314.473 3.230 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001497140491 1185284861 /nfs/dbraw/zinc/28/48/61/1185284861.db2.gz HRMOERHJQAFZDL-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C12CCC(CC1)C2(C)C ZINC001497283962 1185309715 /nfs/dbraw/zinc/30/97/15/1185309715.db2.gz CRKZNRKXOSGILJ-TUBUQKNSSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1sccc1C1CC1 ZINC001497314987 1185315048 /nfs/dbraw/zinc/31/50/48/1185315048.db2.gz PQWVOLFXSUWYFC-NSHDSACASA-N 0 3 312.866 3.476 20 30 DGEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C[C@H]2CC=CCC2)cc1 ZINC001497648749 1185368366 /nfs/dbraw/zinc/36/83/66/1185368366.db2.gz APTKEOXKNCWORY-BDUNBXCCSA-N 0 3 323.440 3.067 20 30 DGEDHN CC(C)=C(C)CC(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001497650561 1185370591 /nfs/dbraw/zinc/37/05/91/1185370591.db2.gz MCXRSZOIZPPLRH-PLNGDYQASA-N 0 3 311.429 3.067 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001497895172 1185406857 /nfs/dbraw/zinc/40/68/57/1185406857.db2.gz RMWKQUPWYCECFY-CQSZACIVSA-N 0 3 320.864 3.222 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001497950302 1185413469 /nfs/dbraw/zinc/41/34/69/1185413469.db2.gz DEFKZQBINXZFND-NVXWUHKLSA-N 0 3 318.436 3.098 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001498033703 1185427772 /nfs/dbraw/zinc/42/77/72/1185427772.db2.gz XXJKKZMVIHTQOH-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001498101889 1185435717 /nfs/dbraw/zinc/43/57/17/1185435717.db2.gz SRKMHMOZBJWXNB-QWHCGFSZSA-N 0 3 310.388 3.476 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(C)c(OC)c1 ZINC001498355436 1185476219 /nfs/dbraw/zinc/47/62/19/1185476219.db2.gz LZGAUJCHFQMEPS-OAHLLOKOSA-N 0 3 318.461 3.152 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001498425937 1185491123 /nfs/dbraw/zinc/49/11/23/1185491123.db2.gz AIYNYBAQGSSAFN-AWEZNQCLSA-N 0 3 300.402 3.286 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1cccc(C)c1 ZINC001498590371 1185520447 /nfs/dbraw/zinc/52/04/47/1185520447.db2.gz NCCOGSOASOWYQT-UHFFFAOYSA-N 0 3 308.853 3.118 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)c1cccs1 ZINC001498611463 1185523006 /nfs/dbraw/zinc/52/30/06/1185523006.db2.gz CIJQYNLMRDAIAR-GFCCVEGCSA-N 0 3 300.855 3.042 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)c1ccccc1C ZINC001498657548 1185529539 /nfs/dbraw/zinc/52/95/39/1185529539.db2.gz KBMOMAYPHVAHFN-OAHLLOKOSA-N 0 3 308.853 3.289 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nccs2)[C@H](CC)C1 ZINC001498893687 1185565018 /nfs/dbraw/zinc/56/50/18/1185565018.db2.gz KJDQCFYYCVJGMN-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001498984152 1185584915 /nfs/dbraw/zinc/58/49/15/1185584915.db2.gz KXEADPCECNDMOZ-AWEZNQCLSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001499036298 1185596157 /nfs/dbraw/zinc/59/61/57/1185596157.db2.gz BVZXCQPQNHMQSY-AEFFLSMTSA-N 0 3 312.457 3.467 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001499040238 1185596953 /nfs/dbraw/zinc/59/69/53/1185596953.db2.gz ATASFTIVVCAZBR-SFHVURJKSA-N 0 3 302.462 3.261 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001499049150 1185599790 /nfs/dbraw/zinc/59/97/90/1185599790.db2.gz VJADAVAGQCOOOQ-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001499048668 1185600410 /nfs/dbraw/zinc/60/04/10/1185600410.db2.gz QKGXPNBENAHCOC-YOEHRIQHSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001499063400 1185603610 /nfs/dbraw/zinc/60/36/10/1185603610.db2.gz PJEMCEUWYSIZKO-CABCVRRESA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1ccc(C)s1 ZINC001499138536 1185618238 /nfs/dbraw/zinc/61/82/38/1185618238.db2.gz QLICNGBTVVMBMD-HNNXBMFYSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCN1CC1CC1)c1ccccc1 ZINC001499139654 1185619272 /nfs/dbraw/zinc/61/92/72/1185619272.db2.gz ZWIQBIGQCKHDSO-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN O=C(C#CC1CC1)NCC1(NCc2ccc(C3CCC3)cc2)CC1 ZINC001499220836 1185627712 /nfs/dbraw/zinc/62/77/12/1185627712.db2.gz FZPHEEZNWLGHMN-UHFFFAOYSA-N 0 3 322.452 3.106 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001499338763 1185639468 /nfs/dbraw/zinc/63/94/68/1185639468.db2.gz BXOVWGWQDPVEDC-QGZVFWFLSA-N 0 3 304.409 3.166 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CC3(C=C)CCCCC3)C2)C1 ZINC001499610021 1185677364 /nfs/dbraw/zinc/67/73/64/1185677364.db2.gz LHEJTTJFYUEEJE-HXUWFJFHSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ncc(C)s2)C[C@@H]1C ZINC001499833269 1185703382 /nfs/dbraw/zinc/70/33/82/1185703382.db2.gz YCRNMFHTXNJFNI-DZGCQCFKSA-N 0 3 321.490 3.277 20 30 DGEDHN C#CCNC[C@@H](NC(=O)C1CCCC1)c1ccc2ccccc2c1 ZINC001500060406 1185736560 /nfs/dbraw/zinc/73/65/60/1185736560.db2.gz PCHHCNIAYBFPPF-HXUWFJFHSA-N 0 3 320.436 3.410 20 30 DGEDHN C#CCN(C(=O)[C@@H](C=C)c1ccccc1)C1CCN(CC=C)CC1 ZINC001500058025 1185736587 /nfs/dbraw/zinc/73/65/87/1185736587.db2.gz SKPDSFRBXYSJJN-FQEVSTJZSA-N 0 3 322.452 3.068 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001500540368 1185819240 /nfs/dbraw/zinc/81/92/40/1185819240.db2.gz YOUUAAZFULVQIN-HBFSDRIKSA-N 0 3 312.457 3.194 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CCCC(C)C)C2)CC1 ZINC001501015825 1185856564 /nfs/dbraw/zinc/85/65/64/1185856564.db2.gz NYFAXWBUKQJZQQ-LJQANCHMSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)C(C)(C)C ZINC001501195785 1185882762 /nfs/dbraw/zinc/88/27/62/1185882762.db2.gz FHXYQEASOSHHLQ-KRWDZBQOSA-N 0 3 314.473 3.310 20 30 DGEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)CCCC)CC1 ZINC001501202970 1185884079 /nfs/dbraw/zinc/88/40/79/1185884079.db2.gz JDAYUZKTEZDKGC-UHFFFAOYSA-N 0 3 315.461 3.251 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(CC)CC ZINC001501391958 1185897547 /nfs/dbraw/zinc/89/75/47/1185897547.db2.gz VAPGZPKWUZOLQV-RYQLBKOJSA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC(C)C)CCC1 ZINC001501392134 1185898116 /nfs/dbraw/zinc/89/81/16/1185898116.db2.gz WEODLBYEGFQUOL-DLBZAZTESA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001501619822 1185913945 /nfs/dbraw/zinc/91/39/45/1185913945.db2.gz XQVALLMOTWIKKT-ARFHVFGLSA-N 0 3 312.885 3.249 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C=C(/C)C2CC2)cc1 ZINC001501673282 1185919778 /nfs/dbraw/zinc/91/97/78/1185919778.db2.gz NXPRDLLGRYOZFF-KGAUPUERSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@H](CCC)CC(C)C)C2)CC1 ZINC001501749342 1185928982 /nfs/dbraw/zinc/92/89/82/1185928982.db2.gz RWPDJWMUTWVVTR-KRWDZBQOSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(Cl)s2)CCC1 ZINC001501925861 1185939001 /nfs/dbraw/zinc/93/90/01/1185939001.db2.gz XNWSWJUQRDQDIJ-UHFFFAOYSA-N 0 3 312.866 3.496 20 30 DGEDHN CC#CCNC1(CNC(=O)c2oc3c(cccc3C)c2C)CCC1 ZINC001502029100 1185949439 /nfs/dbraw/zinc/94/94/39/1185949439.db2.gz LQDOAKGBJAQISI-UHFFFAOYSA-N 0 3 324.424 3.315 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2c(C)noc2C)CC1 ZINC001502124779 1185956643 /nfs/dbraw/zinc/95/66/43/1185956643.db2.gz VOGLNKRCTSVPPV-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2ncccc2C)CC1 ZINC001502123602 1185957378 /nfs/dbraw/zinc/95/73/78/1185957378.db2.gz AKWKYTRXZBPXBF-QGZVFWFLSA-N 0 3 315.461 3.217 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001502403373 1185980999 /nfs/dbraw/zinc/98/09/99/1185980999.db2.gz PRSYZAYZJXGKAU-KRWDZBQOSA-N 0 3 306.494 3.397 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001502546587 1185995129 /nfs/dbraw/zinc/99/51/29/1185995129.db2.gz UJCRCCNISBGZPJ-RLGIIYIFSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(C)(NC/C(Cl)=C\Cl)CC1 ZINC001502791569 1186012097 /nfs/dbraw/zinc/01/20/97/1186012097.db2.gz HGXSOBHYDLHEDD-ZRDIBKRKSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CC(C)(C)CC(F)F)C(C)(C)C1 ZINC001502831292 1186019890 /nfs/dbraw/zinc/01/98/90/1186019890.db2.gz ZBPLHWYTMOTMJR-CYBMUJFWSA-N 0 3 316.436 3.461 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCc2cccc(C)c2)C(C)(C)C1 ZINC001502830506 1186020685 /nfs/dbraw/zinc/02/06/85/1186020685.db2.gz IQRHNNLBLQVEQM-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)c(CC)s1 ZINC001503608590 1186048491 /nfs/dbraw/zinc/04/84/91/1186048491.db2.gz YMHPUCSACZVQJS-LBPRGKRZSA-N 0 3 314.882 3.469 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001503678906 1186051415 /nfs/dbraw/zinc/05/14/15/1186051415.db2.gz USWJWDNVSIJATC-LJQANCHMSA-N 0 3 312.457 3.304 20 30 DGEDHN C=CCC[N@@H+](CC)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001505394646 1186064173 /nfs/dbraw/zinc/06/41/73/1186064173.db2.gz KFPFSHGEHPOINH-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=CCC[N@H+](CC)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001505394646 1186064177 /nfs/dbraw/zinc/06/41/77/1186064177.db2.gz KFPFSHGEHPOINH-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2(CC)CC2)CC1 ZINC001505398304 1186066573 /nfs/dbraw/zinc/06/65/73/1186066573.db2.gz DGMRPIIISNLLFI-UHFFFAOYSA-N 0 3 312.885 3.490 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1conc1C1CCCC1 ZINC001505434041 1186079110 /nfs/dbraw/zinc/07/91/10/1186079110.db2.gz JSNZWHOCAVXRFM-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001505671242 1186121656 /nfs/dbraw/zinc/12/16/56/1186121656.db2.gz OXKFERPLBXZZPD-ZIAGYGMSSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001505820425 1186143804 /nfs/dbraw/zinc/14/38/04/1186143804.db2.gz SVBLAXBCSDSTAB-KFWWJZLASA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CC[C@H](C)C1 ZINC001505836191 1186146860 /nfs/dbraw/zinc/14/68/60/1186146860.db2.gz ACBQOKOCOTYFJN-JSGCOSHPSA-N 0 3 300.874 3.249 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)CCc1scnc1C ZINC001506010299 1186181016 /nfs/dbraw/zinc/18/10/16/1186181016.db2.gz SOMOZGGVSVOIFS-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001506012734 1186181887 /nfs/dbraw/zinc/18/18/87/1186181887.db2.gz LSOOMUIRABIYOD-KGLIPLIRSA-N 0 3 308.853 3.141 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001506654817 1186269069 /nfs/dbraw/zinc/26/90/69/1186269069.db2.gz LLZQKAXTPLRWIY-OAHLLOKOSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1conc1C(C)C ZINC001506923647 1186313638 /nfs/dbraw/zinc/31/36/38/1186313638.db2.gz JRVKPALJGJODIA-GFCCVEGCSA-N 0 3 313.829 3.039 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(N(C)Cc2c(C)noc2C)CC1 ZINC001506959061 1186326166 /nfs/dbraw/zinc/32/61/66/1186326166.db2.gz UYYNBVIZFYMHHL-UHFFFAOYSA-N 0 3 319.449 3.071 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001507077333 1186355394 /nfs/dbraw/zinc/35/53/94/1186355394.db2.gz OMAQXQKMDIBZOD-SFHVURJKSA-N 0 3 324.468 3.243 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccc(C)nc1C ZINC001507114876 1186364128 /nfs/dbraw/zinc/36/41/28/1186364128.db2.gz WKSDMMQJKNHSQA-WBVHZDCISA-N 0 3 317.477 3.237 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](CC(C)C)c1ccccc1 ZINC001507133608 1186369070 /nfs/dbraw/zinc/36/90/70/1186369070.db2.gz JSLQUTWWJNLPGS-PKOBYXMFSA-N 0 3 314.473 3.276 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001507133605 1186369151 /nfs/dbraw/zinc/36/91/51/1186369151.db2.gz JSLQUTWWJNLPGS-HKUYNNGSSA-N 0 3 314.473 3.276 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001507312868 1186387568 /nfs/dbraw/zinc/38/75/68/1186387568.db2.gz GMRVEGYKPCSSBU-GOEBONIOSA-N 0 3 318.848 3.078 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001507372947 1186407118 /nfs/dbraw/zinc/40/71/18/1186407118.db2.gz MTBVHCZYBIHTAM-SJLPKXTDSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc[nH]c1CCC)C(C)C ZINC001507829223 1186447279 /nfs/dbraw/zinc/44/72/79/1186447279.db2.gz XEMNUZXTOGERLX-UHFFFAOYSA-N 0 3 305.466 3.326 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccn(CC)c1C)C(C)C ZINC001507828503 1186447319 /nfs/dbraw/zinc/44/73/19/1186447319.db2.gz QLTGQNYTUFXXSN-UHFFFAOYSA-N 0 3 305.466 3.175 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2cnccc21)C(C)C ZINC001507862715 1186451945 /nfs/dbraw/zinc/45/19/45/1186451945.db2.gz IVKXXPGKYLGTFM-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)ccc1C)C(C)C ZINC001507863716 1186452080 /nfs/dbraw/zinc/45/20/80/1186452080.db2.gz LFUVADFLAMEECD-UHFFFAOYSA-N 0 3 300.446 3.109 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001507992195 1186465738 /nfs/dbraw/zinc/46/57/38/1186465738.db2.gz XKGZPYUUHXFUBS-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2(CC=C)CCCCC2)CC1 ZINC001508082467 1186478823 /nfs/dbraw/zinc/47/88/23/1186478823.db2.gz HNXIWNDISHQSOM-KRWDZBQOSA-N 0 3 316.489 3.363 20 30 DGEDHN N#Cc1ccc(C(=O)OC[C@@H]2CCCCN2Cc2ccccc2)[nH]1 ZINC001514724434 1186724360 /nfs/dbraw/zinc/72/43/60/1186724360.db2.gz HYSXIYPTUVXIRH-KRWDZBQOSA-N 0 3 323.396 3.098 20 30 DGEDHN C[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC001611798147 1193442069 /nfs/dbraw/zinc/44/20/69/1193442069.db2.gz PAUARHZYHIYYAA-QWHCGFSZSA-N 0 3 302.378 3.141 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001517045597 1186799573 /nfs/dbraw/zinc/79/95/73/1186799573.db2.gz FQWFKYNKVQCEPH-MJBXVCDLSA-N 0 3 315.323 3.161 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccc(C)cc1 ZINC001517063943 1186800775 /nfs/dbraw/zinc/80/07/75/1186800775.db2.gz BJLVJOSUABAQDZ-INIZCTEOSA-N 0 3 311.385 3.247 20 30 DGEDHN N#Cc1ccc(N2CCc3cnccc32)cc1Br ZINC001612046869 1193445738 /nfs/dbraw/zinc/44/57/38/1193445738.db2.gz ARWTWVQNAYGBJM-UHFFFAOYSA-N 0 3 300.159 3.410 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC001521900984 1187056966 /nfs/dbraw/zinc/05/69/66/1187056966.db2.gz WTBOPPLLSYTQEU-UKRRQHHQSA-N 0 3 302.409 3.322 20 30 DGEDHN C[C@@H]1[C@@H](C(=O)C(C#N)c2nc(-c3ccncc3)cs2)C1(F)F ZINC001524486918 1187244114 /nfs/dbraw/zinc/24/41/14/1187244114.db2.gz NZMMDEZZYGQZBL-UISBYWKRSA-N 0 3 319.336 3.283 20 30 DGEDHN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703119 1187261532 /nfs/dbraw/zinc/26/15/32/1187261532.db2.gz AGTXJTFJDFSDBB-LJTDUEICSA-N 0 3 318.311 3.054 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC001526593654 1187377118 /nfs/dbraw/zinc/37/71/18/1187377118.db2.gz IEEUNGJIEPXEKK-QFBILLFUSA-N 0 3 307.397 3.274 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC001526594925 1187377164 /nfs/dbraw/zinc/37/71/64/1187377164.db2.gz SAONEHMTJZRNOE-CVEARBPZSA-N 0 3 306.369 3.167 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001526593651 1187377659 /nfs/dbraw/zinc/37/76/59/1187377659.db2.gz IEEUNGJIEPXEKK-LPHOPBHVSA-N 0 3 307.397 3.274 20 30 DGEDHN CCCCCCCC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC001532414114 1187753587 /nfs/dbraw/zinc/75/35/87/1187753587.db2.gz SOFLFGMKRZRUSA-QGZVFWFLSA-N 0 3 324.509 3.449 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)c1cc2ccccc2o1)C1CCN(C)CC1 ZINC001538519453 1188146342 /nfs/dbraw/zinc/14/63/42/1188146342.db2.gz FNFDMBQKNSVOPE-HNNXBMFYSA-N 0 3 324.424 3.092 20 30 DGEDHN CN(C)[C@@H](CNC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 ZINC001538902978 1188169119 /nfs/dbraw/zinc/16/91/19/1188169119.db2.gz KKXFQGHQMJKTCX-MOPGFXCFSA-N 0 3 321.424 3.103 20 30 DGEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC001617909864 1193585369 /nfs/dbraw/zinc/58/53/69/1193585369.db2.gz FTDGETXZHVQXAJ-HNNXBMFYSA-N 0 3 323.387 3.076 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC001556466483 1189003040 /nfs/dbraw/zinc/00/30/40/1189003040.db2.gz AHBCWWQPIOMLIY-GOSISDBHSA-N 0 3 313.445 3.040 20 30 DGEDHN CC#CCNCCN(C)C(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001567569664 1189074947 /nfs/dbraw/zinc/07/49/47/1189074947.db2.gz YZBWEVQQRGFCOD-SFHVURJKSA-N 0 3 306.494 3.300 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCS[C@H](c3ccccc3)C2)c1 ZINC001559973946 1189264928 /nfs/dbraw/zinc/26/49/28/1189264928.db2.gz NFITWFHOZBYLSI-MOPGFXCFSA-N 0 3 324.449 3.382 20 30 DGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@H](O)c2cccc(C#N)c2)C1 ZINC001559972487 1189265242 /nfs/dbraw/zinc/26/52/42/1189265242.db2.gz PQINGLRNKJBKAD-PMACEKPBSA-N 0 3 324.399 3.394 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001559982999 1189266152 /nfs/dbraw/zinc/26/61/52/1189266152.db2.gz CNYSPLOZXNKUNI-HUUCEWRRSA-N 0 3 304.409 3.291 20 30 DGEDHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cc2cnccc2o1 ZINC001560094269 1189276874 /nfs/dbraw/zinc/27/68/74/1189276874.db2.gz QMIQIOHYOADJFY-BLLLJJGKSA-N 0 3 307.353 3.084 20 30 DGEDHN N#CC1CCC(CN2CCN(c3cc(Cl)ccn3)CC2)CC1 ZINC001560157004 1189285189 /nfs/dbraw/zinc/28/51/89/1189285189.db2.gz JBKAFYWHSIVPDI-UHFFFAOYSA-N 0 3 318.852 3.187 20 30 DGEDHN C=CC[C@H](NCc1ccc(N2CCCC2)nc1)c1ccncc1 ZINC001560338945 1189314441 /nfs/dbraw/zinc/31/44/41/1189314441.db2.gz SWMFRGCLHBLBLT-SFHVURJKSA-N 0 3 308.429 3.484 20 30 DGEDHN C#CCC[C@@H](O)CNCc1ccccc1OCc1ccccc1 ZINC001560576052 1189343498 /nfs/dbraw/zinc/34/34/98/1189343498.db2.gz UBPTWQHWLQSVPX-LJQANCHMSA-N 0 3 309.409 3.130 20 30 DGEDHN C#CCN1CCC[C@@H](NCc2c(Cl)oc3ccccc32)C1 ZINC001561006727 1189419467 /nfs/dbraw/zinc/41/94/67/1189419467.db2.gz ZHCQOSIPDGNVNR-CYBMUJFWSA-N 0 3 302.805 3.273 20 30 DGEDHN C[C@H](CCc1ccc(F)cc1F)NCC1(C#N)CCOCC1 ZINC001561045132 1189425078 /nfs/dbraw/zinc/42/50/78/1189425078.db2.gz VAOYTQBBSPHZOH-CYBMUJFWSA-N 0 3 308.372 3.196 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(OC)c1 ZINC001565822193 1189677499 /nfs/dbraw/zinc/67/74/99/1189677499.db2.gz ZWXWTFJAYVIHTD-QGZVFWFLSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CCCCCOC)CC1 ZINC001565826016 1189679783 /nfs/dbraw/zinc/67/97/83/1189679783.db2.gz CZMQLWCZSDOXIG-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001565831116 1189682915 /nfs/dbraw/zinc/68/29/15/1189682915.db2.gz ATIZEANGTJRTEK-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001565838566 1189686839 /nfs/dbraw/zinc/68/68/39/1189686839.db2.gz QCJHJOFPJNJABG-XBXGTLAGSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ccco1 ZINC001565929767 1189705010 /nfs/dbraw/zinc/70/50/10/1189705010.db2.gz UEWUCHGVWPXLKT-OCCSQVGLSA-N 0 3 310.825 3.253 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C(CC)CC)C(C)(C)[C@@H]21 ZINC001565992967 1189710541 /nfs/dbraw/zinc/71/05/41/1189710541.db2.gz NSCSGETURFGJEZ-BRWVUGGUSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCCCC)C(C)(C)[C@H]21 ZINC001565993090 1189710669 /nfs/dbraw/zinc/71/06/69/1189710669.db2.gz OOWDUGOFSGDOLH-NJAFHUGGSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)[C@H]1C ZINC001566116991 1189737421 /nfs/dbraw/zinc/73/74/21/1189737421.db2.gz FHPCRXUMZWIQHX-CPUCHLNUSA-N 0 3 320.864 3.284 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccoc1CCC ZINC001566123320 1189740723 /nfs/dbraw/zinc/74/07/23/1189740723.db2.gz JTIGDQBDQKPBMM-HNNXBMFYSA-N 0 3 304.434 3.345 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccn2)CC(C)(C)C1 ZINC001566128215 1189741664 /nfs/dbraw/zinc/74/16/64/1189741664.db2.gz OPZDBQOSHSYUEQ-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccn2)CC(C)(C)C1 ZINC001566128216 1189742046 /nfs/dbraw/zinc/74/20/46/1189742046.db2.gz OPZDBQOSHSYUEQ-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C=C)c1ccccc1 ZINC001566124790 1189742350 /nfs/dbraw/zinc/74/23/50/1189742350.db2.gz IPUJKQANNUDAFJ-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCN(C)Cc1sc(C)nc1C ZINC001566458119 1189775014 /nfs/dbraw/zinc/77/50/14/1189775014.db2.gz KVUYCFLXASVEJS-UHFFFAOYSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C1CCN(CCOCC(C)C)CC1 ZINC001566611527 1189823394 /nfs/dbraw/zinc/82/33/94/1189823394.db2.gz JBEWWOHWGYAXNB-LJQANCHMSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001566616754 1189825501 /nfs/dbraw/zinc/82/55/01/1189825501.db2.gz KQKUYXDHLPMEQZ-QGZVFWFLSA-N 0 3 311.429 3.215 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2nccs2)C1 ZINC001566631237 1189836247 /nfs/dbraw/zinc/83/62/47/1189836247.db2.gz ORRPOXDSDHHAPP-AWEZNQCLSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001566672563 1189853946 /nfs/dbraw/zinc/85/39/46/1189853946.db2.gz QSLRJBQLQHWVTB-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001566699739 1189864664 /nfs/dbraw/zinc/86/46/64/1189864664.db2.gz LLIWUFRFPAXWIS-SFHVURJKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccco1 ZINC001566755704 1189892417 /nfs/dbraw/zinc/89/24/17/1189892417.db2.gz PSKFJDAXCRAZDH-HRCADAONSA-N 0 3 302.418 3.025 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CCC1CC2 ZINC001566758089 1189893405 /nfs/dbraw/zinc/89/34/05/1189893405.db2.gz AANIRLUKKYLRHH-QCRHNUIXSA-N 0 3 316.489 3.454 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001566774646 1189897053 /nfs/dbraw/zinc/89/70/53/1189897053.db2.gz LCBXKSCKHVYFEF-OALUTQOASA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001566847360 1189921475 /nfs/dbraw/zinc/92/14/75/1189921475.db2.gz APUITMLOZRHOSI-GASCZTMLSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001566862981 1189927232 /nfs/dbraw/zinc/92/72/32/1189927232.db2.gz PSYVODIFQUGWHH-OIISXLGYSA-N 0 3 318.848 3.336 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001566928855 1189958764 /nfs/dbraw/zinc/95/87/64/1189958764.db2.gz ODIPPVALZAIQRP-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2scnc2C)C1 ZINC001566958477 1189969745 /nfs/dbraw/zinc/96/97/45/1189969745.db2.gz PSYBJKVLFVLCAB-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cnoc2C)C1 ZINC001566962554 1189973716 /nfs/dbraw/zinc/97/37/16/1189973716.db2.gz JJIXBXQQAXECEZ-GDBMZVCRSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)NCc2ccc(Cl)s2)C1 ZINC001567052422 1190011365 /nfs/dbraw/zinc/01/13/65/1190011365.db2.gz DCLHHWHIORVINC-LLVKDONJSA-N 0 3 312.866 3.352 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2nc(C)c(C)s2)C1 ZINC001567158225 1190044945 /nfs/dbraw/zinc/04/49/45/1190044945.db2.gz AAMFMWSVPIMBNA-LSDHHAIUSA-N 0 3 321.490 3.243 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001567203514 1190067768 /nfs/dbraw/zinc/06/77/68/1190067768.db2.gz UOJZOZDDZDQHHB-QGZVFWFLSA-N 0 3 324.468 3.043 20 30 DGEDHN C#CCCCC(=O)NCC[C@@H](C)NCc1c(F)cccc1Cl ZINC001567213755 1190074593 /nfs/dbraw/zinc/07/45/93/1190074593.db2.gz BSEAOIZXIFXZRI-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)C#CC(C)(C)C ZINC001567280224 1190109909 /nfs/dbraw/zinc/10/99/09/1190109909.db2.gz XUODIIGHQIKUOX-CQSZACIVSA-N 0 3 320.864 3.499 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001567302278 1190119138 /nfs/dbraw/zinc/11/91/38/1190119138.db2.gz WFPIISSYGYWSLN-HKUYNNGSSA-N 0 3 318.436 3.463 20 30 DGEDHN CCCCCCCN1CCC[C@@H]1CNC(=O)C(=O)C(C)(C)C ZINC001567366855 1190155185 /nfs/dbraw/zinc/15/51/85/1190155185.db2.gz QLQUFBVLPCCMIV-OAHLLOKOSA-N 0 3 310.482 3.153 20 30 DGEDHN CCCCCCCN1CCC[C@H]1CNC(=O)c1ccns1 ZINC001567367591 1190155191 /nfs/dbraw/zinc/15/51/91/1190155191.db2.gz DIEAJTPCHSNZPX-AWEZNQCLSA-N 0 3 309.479 3.308 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](CC)Cc1ccccc1C ZINC001567382002 1190163221 /nfs/dbraw/zinc/16/32/21/1190163221.db2.gz CTTRTQCYSRUTBM-IEBWSBKVSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](CC)c1ccccc1 ZINC001567383068 1190163306 /nfs/dbraw/zinc/16/33/06/1190163306.db2.gz PFYTXNPRIHWVMC-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCCc2ccccc21 ZINC001567382266 1190163422 /nfs/dbraw/zinc/16/34/22/1190163422.db2.gz HJJBIZPHKDQMPJ-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN(C[C@H](F)CC)C2)CCCCC1 ZINC001567421308 1190181277 /nfs/dbraw/zinc/18/12/77/1190181277.db2.gz QTGAPWIAMKPNBA-DLBZAZTESA-N 0 3 322.468 3.146 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2cc(C)ccc2n1)C1CC1 ZINC001567445040 1190195498 /nfs/dbraw/zinc/19/54/98/1190195498.db2.gz WNUIPQMCLZJCBO-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@@H](C)c1ccccc1F)C1CC1 ZINC001567451216 1190201385 /nfs/dbraw/zinc/20/13/85/1190201385.db2.gz IMGKWQMEBIAKLO-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(c2ccccc2F)CC1)C1CC1 ZINC001567452551 1190202144 /nfs/dbraw/zinc/20/21/44/1190202144.db2.gz UYECQTMZYUMPSG-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN(CCNC(=O)CC(C)(C)c1ccccc1)C1CC1 ZINC001567455771 1190204299 /nfs/dbraw/zinc/20/42/99/1190204299.db2.gz JJTSKJMAXMQEBN-UHFFFAOYSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCCCC(=O)N1CCC([C@@H](C)NCc2cnc(C)o2)CC1 ZINC001567630000 1190230804 /nfs/dbraw/zinc/23/08/04/1190230804.db2.gz JBKQMXKWZLWVCT-CQSZACIVSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(COC)cc1)c1ccccc1 ZINC001567665702 1190242831 /nfs/dbraw/zinc/24/28/31/1190242831.db2.gz JSVITNBQDMZXTG-LJQANCHMSA-N 0 3 324.424 3.080 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cccc(F)c2)C1 ZINC001567678630 1190247131 /nfs/dbraw/zinc/24/71/31/1190247131.db2.gz KTEAEDCLPKBRQJ-KRWDZBQOSA-N 0 3 304.409 3.328 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001567686769 1190253705 /nfs/dbraw/zinc/25/37/05/1190253705.db2.gz QIRWOHLAKQWNSQ-MRXNPFEDSA-N 0 3 315.461 3.088 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001567761924 1190290282 /nfs/dbraw/zinc/29/02/82/1190290282.db2.gz WITCNROGLDWWTA-OAHLLOKOSA-N 0 3 321.490 3.392 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001567778906 1190296450 /nfs/dbraw/zinc/29/64/50/1190296450.db2.gz SZWJPWCLWNNRHZ-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001567837318 1190315875 /nfs/dbraw/zinc/31/58/75/1190315875.db2.gz GSSBTYSKPCVFFX-HNNXBMFYSA-N 0 3 300.446 3.316 20 30 DGEDHN C=CC[C@@H](C(=O)NCC1CN(CC[C@H](C)F)C1)c1ccccc1 ZINC001567848906 1190319723 /nfs/dbraw/zinc/31/97/23/1190319723.db2.gz NROQYRZBIHJKNJ-MAUKXSAKSA-N 0 3 318.436 3.142 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC)CCCCC1 ZINC001567866667 1190327223 /nfs/dbraw/zinc/32/72/23/1190327223.db2.gz OZUXWQIHSBNNJS-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001567907936 1190345737 /nfs/dbraw/zinc/34/57/37/1190345737.db2.gz ZUJZOCKJUMXBHO-GOSISDBHSA-N 0 3 300.446 3.248 20 30 DGEDHN CCCc1ccc(CN2CC[C@H](N(C)C(=O)C#CC3CC3)C2)cc1 ZINC001567912038 1190346736 /nfs/dbraw/zinc/34/67/36/1190346736.db2.gz SOTSCUGBDDXPEO-FQEVSTJZSA-N 0 3 324.468 3.085 20 30 DGEDHN C=CCCCCCN1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC001567915267 1190349565 /nfs/dbraw/zinc/34/95/65/1190349565.db2.gz MXFKDFKDOITLIG-AWEZNQCLSA-N 0 3 307.463 3.036 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)Cc2ccccc2)C1 ZINC001567924776 1190355610 /nfs/dbraw/zinc/35/56/10/1190355610.db2.gz GURJQXJXYKAJKJ-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001567945175 1190368431 /nfs/dbraw/zinc/36/84/31/1190368431.db2.gz JGZOUSYZNAJPEJ-MSOLQXFVSA-N 0 3 312.457 3.045 20 30 DGEDHN CC[C@H](CNC(=O)/C=C/C(C)(C)C)NCC#Cc1ccccc1 ZINC001567952264 1190372982 /nfs/dbraw/zinc/37/29/82/1190372982.db2.gz GPKPCQSHPZYWRE-KAUXGEHWSA-N 0 3 312.457 3.125 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(CNCc2ccccc2Cl)CCCC1 ZINC001567995704 1190392660 /nfs/dbraw/zinc/39/26/60/1190392660.db2.gz YMQNYGQTNJKHGN-CYBMUJFWSA-N 0 3 319.836 3.018 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CCC(F)F)CCCC[C@H]1C ZINC001568039977 1190406945 /nfs/dbraw/zinc/40/69/45/1190406945.db2.gz IGAOMEORBQZEGZ-IAQYHMDHSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001568297988 1190478237 /nfs/dbraw/zinc/47/82/37/1190478237.db2.gz HHRMGUBWZLQOEZ-GUYCJALGSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ncc(C)s2)[C@H](C)C1 ZINC001568358482 1190501606 /nfs/dbraw/zinc/50/16/06/1190501606.db2.gz QPWDAVKHLIINDP-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1c(C)noc1C)C(C)C ZINC001568458880 1190528464 /nfs/dbraw/zinc/52/84/64/1190528464.db2.gz GDQJYMRKLJLZTD-INIZCTEOSA-N 0 3 321.465 3.124 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H]3[C@H](CCN3CCF)C2)CCCCC1 ZINC001568515672 1190556520 /nfs/dbraw/zinc/55/65/20/1190556520.db2.gz NPXUEXWNLFOGHU-SJORKVTESA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C/Cl ZINC001568520721 1190558255 /nfs/dbraw/zinc/55/82/55/1190558255.db2.gz SEGOBQSIJNVXAW-KCWVNHISSA-N 0 3 305.249 3.146 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)Oc1cccc(C)c1 ZINC001568551748 1190564731 /nfs/dbraw/zinc/56/47/31/1190564731.db2.gz RCKFKFABWRHYBR-SFHVURJKSA-N 0 3 318.461 3.119 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(CSC)cc1 ZINC001568551823 1190564755 /nfs/dbraw/zinc/56/47/55/1190564755.db2.gz URCXCGPJVXASCT-UHFFFAOYSA-N 0 3 306.475 3.130 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2cnccc2c1 ZINC001568696083 1190579227 /nfs/dbraw/zinc/57/92/27/1190579227.db2.gz LIQONPZFDJZPEQ-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC001568705195 1190580160 /nfs/dbraw/zinc/58/01/60/1190580160.db2.gz DJZWIADUWROHMI-UKRRQHHQSA-N 0 3 308.853 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC001568705196 1190580215 /nfs/dbraw/zinc/58/02/15/1190580215.db2.gz DJZWIADUWROHMI-ZFWWWQNUSA-N 0 3 308.853 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2cnccc21 ZINC001568711133 1190580689 /nfs/dbraw/zinc/58/06/89/1190580689.db2.gz XRAZUSHNXCCYBH-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1sccc1CC ZINC001568714652 1190581502 /nfs/dbraw/zinc/58/15/02/1190581502.db2.gz XKZLNOUZLVEIBE-NSHDSACASA-N 0 3 300.855 3.161 20 30 DGEDHN C[C@@H](NC/C=C/CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC001568847877 1190594360 /nfs/dbraw/zinc/59/43/60/1190594360.db2.gz AQXDINGKCBESEK-BAABZTOOSA-N 0 3 316.832 3.076 20 30 DGEDHN Cc1ccc(CNC[C@@H](C)NC(=O)C#CC(C)(C)C)c(Cl)c1 ZINC001568991423 1190605526 /nfs/dbraw/zinc/60/55/26/1190605526.db2.gz XFAHVMPIFGMZSQ-CQSZACIVSA-N 0 3 320.864 3.292 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001569079102 1190617819 /nfs/dbraw/zinc/61/78/19/1190617819.db2.gz PEAVKFPQZQQVSE-STQMWFEESA-N 0 3 319.474 3.040 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001569119298 1190630395 /nfs/dbraw/zinc/63/03/95/1190630395.db2.gz OANLTBFZHGWEGX-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001569156337 1190646151 /nfs/dbraw/zinc/64/61/51/1190646151.db2.gz XFVRLUAZSICMGA-UONOGXRCSA-N 0 3 308.853 3.141 20 30 DGEDHN CN(CCCNCc1ccccc1C#N)C(=O)C1CCCCC1 ZINC001569179157 1190649739 /nfs/dbraw/zinc/64/97/39/1190649739.db2.gz ARVUUDLBBNBGLQ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001569370755 1190679307 /nfs/dbraw/zinc/67/93/07/1190679307.db2.gz PRFLIRGSBYIYPJ-QGZVFWFLSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001569376205 1190683073 /nfs/dbraw/zinc/68/30/73/1190683073.db2.gz GXKCBOAOJVNPIQ-DZGCQCFKSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1C ZINC001569376010 1190683645 /nfs/dbraw/zinc/68/36/45/1190683645.db2.gz FDAHBHWLLCCBFV-SJORKVTESA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001569381758 1190686746 /nfs/dbraw/zinc/68/67/46/1190686746.db2.gz WVNGRRJJVDDVLN-XJKSGUPXSA-N 0 3 306.837 3.499 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 ZINC001569430577 1190696814 /nfs/dbraw/zinc/69/68/14/1190696814.db2.gz IFEQJQQIUHCNBH-AEFFLSMTSA-N 0 3 312.457 3.078 20 30 DGEDHN C[C@H](C#N)C(=O)NC1(C)CCN([C@H](C)c2ccccc2F)CC1 ZINC001569570219 1190718294 /nfs/dbraw/zinc/71/82/94/1190718294.db2.gz KSFWBWCDJSYVQF-ZIAGYGMSSA-N 0 3 317.408 3.017 20 30 DGEDHN C#CCN(C(C)=O)C1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC001569581177 1190719842 /nfs/dbraw/zinc/71/98/42/1190719842.db2.gz NIFCXNHKJLAKSQ-UHFFFAOYSA-N 0 3 320.383 3.070 20 30 DGEDHN C#CCN(C(=O)c1ccccc1)C1CCN(CC=C(C)C)CC1 ZINC001569582034 1190720006 /nfs/dbraw/zinc/72/00/06/1190720006.db2.gz SZKUWVIANKXIAH-UHFFFAOYSA-N 0 3 310.441 3.193 20 30 DGEDHN C#CCN(C(=O)C(C)C)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001569582679 1190720107 /nfs/dbraw/zinc/72/01/07/1190720107.db2.gz QRBMWJLKGCVSRM-DHZHZOJOSA-N 0 3 324.468 3.282 20 30 DGEDHN CC[C@H](F)CNC[C@@H](NC(=O)C#CC(C)(C)C)C1CCCC1 ZINC001569603846 1190721985 /nfs/dbraw/zinc/72/19/85/1190721985.db2.gz GOVYGQBWIRVXFL-JKSUJKDBSA-N 0 3 310.457 3.049 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2cc(F)ccc2F)C1 ZINC001569654588 1190735536 /nfs/dbraw/zinc/73/55/36/1190735536.db2.gz JJBAKSPCMSVBKD-GOSISDBHSA-N 0 3 322.399 3.054 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](CC)CCCC)C1 ZINC001569710322 1190745688 /nfs/dbraw/zinc/74/56/88/1190745688.db2.gz REGKVKNYLRESTA-HKUYNNGSSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(CCCC)CC2)C1 ZINC001569720501 1190748749 /nfs/dbraw/zinc/74/87/49/1190748749.db2.gz XGJBZEVAADTCFK-GOSISDBHSA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001569726862 1190751165 /nfs/dbraw/zinc/75/11/65/1190751165.db2.gz VPPDDKQCOBANNB-FQEVSTJZSA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@@H](CNCc2c(F)cccc2F)C1 ZINC001569832811 1190761130 /nfs/dbraw/zinc/76/11/30/1190761130.db2.gz URSGNZNDZLOBII-KBPBESRZSA-N 0 3 322.399 3.115 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCCCCC)C[C@@H]2C1 ZINC001569878411 1190768548 /nfs/dbraw/zinc/76/85/48/1190768548.db2.gz YIMHXACFCCCDEZ-GBESFXJTSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCCCCC)C[C@@H]2C1 ZINC001569877908 1190768555 /nfs/dbraw/zinc/76/85/55/1190768555.db2.gz GKWVYCHUQVNBEL-OKZBNKHCSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001569974200 1190777833 /nfs/dbraw/zinc/77/78/33/1190777833.db2.gz MXNJCTPCKMZUON-AWEZNQCLSA-N 0 3 310.825 3.091 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cccc(C)n1 ZINC001570026212 1190783186 /nfs/dbraw/zinc/78/31/86/1190783186.db2.gz YDPQHKKLYMTGIV-UHFFFAOYSA-N 0 3 323.440 3.328 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1 ZINC001570032838 1190785008 /nfs/dbraw/zinc/78/50/08/1190785008.db2.gz FLXZNEANGVOMAT-KFKAGJAMSA-N 0 3 312.457 3.269 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1csc2c1CCCC2 ZINC001570216902 1190824125 /nfs/dbraw/zinc/82/41/25/1190824125.db2.gz PLOMFQZZPWLWPK-UHFFFAOYSA-N 0 3 318.486 3.044 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](CC)C(C)C)C2 ZINC001570275658 1190835677 /nfs/dbraw/zinc/83/56/77/1190835677.db2.gz ZZQWRSLGDYIKFK-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(C)ccc2F)C1 ZINC001570341963 1190841576 /nfs/dbraw/zinc/84/15/76/1190841576.db2.gz KMUFKIMJQAFGRO-QAPCUYQASA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)CCCF ZINC001570477925 1190867136 /nfs/dbraw/zinc/86/71/36/1190867136.db2.gz DDQTYFSHNFIKDN-SFHVURJKSA-N 0 3 318.436 3.418 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1sc(C2CC2)nc1C ZINC001570530305 1190876383 /nfs/dbraw/zinc/87/63/83/1190876383.db2.gz ITTGTITWPUGYNJ-AWEZNQCLSA-N 0 3 319.474 3.051 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)OC1CCCCC1 ZINC001570530103 1190877110 /nfs/dbraw/zinc/87/71/10/1190877110.db2.gz DKASNNYXJWUGDR-SJLPKXTDSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CC1(CC(=O)N2CCC[C@@H]2CN(C)CCOC)CCCCC1 ZINC001570542850 1190882795 /nfs/dbraw/zinc/88/27/95/1190882795.db2.gz YVESRBPGQUQXGR-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)c1ccccc1C ZINC001570547094 1190884770 /nfs/dbraw/zinc/88/47/70/1190884770.db2.gz ADJPCYQKGNEMFV-QGZVFWFLSA-N 0 3 314.473 3.381 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(c2ccccc2C)CC1 ZINC001570549372 1190886351 /nfs/dbraw/zinc/88/63/51/1190886351.db2.gz XIALTZXDMRZVLQ-QGZVFWFLSA-N 0 3 312.457 3.135 20 30 DGEDHN CCCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001570591309 1190895619 /nfs/dbraw/zinc/89/56/19/1190895619.db2.gz XFHJJCFMJQBPGQ-QWHCGFSZSA-N 0 3 307.463 3.183 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001570598152 1190898084 /nfs/dbraw/zinc/89/80/84/1190898084.db2.gz HTQMRBUCKIOEOY-KGLIPLIRSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001570623531 1190903774 /nfs/dbraw/zinc/90/37/74/1190903774.db2.gz CDTVHKBOKXZGAS-NEPJUHHUSA-N 0 3 323.506 3.345 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001570623538 1190903909 /nfs/dbraw/zinc/90/39/09/1190903909.db2.gz CDTVHKBOKXZGAS-VXGBXAGGSA-N 0 3 323.506 3.345 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1ccccc1C ZINC001570688907 1190917466 /nfs/dbraw/zinc/91/74/66/1190917466.db2.gz CKDXWKOJZAMHMX-UHFFFAOYSA-N 0 3 322.880 3.364 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001570699637 1190921918 /nfs/dbraw/zinc/92/19/18/1190921918.db2.gz CIRYKQBHMSEFCI-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001570711988 1190926293 /nfs/dbraw/zinc/92/62/93/1190926293.db2.gz BBMQWUWEBSLCLO-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001570851419 1190965849 /nfs/dbraw/zinc/96/58/49/1190965849.db2.gz AWCDJYDKMWJJLC-CQSZACIVSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCc2ccc(C)s2)C1 ZINC001570864138 1190968690 /nfs/dbraw/zinc/96/86/90/1190968690.db2.gz STVKBFKHRNGRNJ-OAHLLOKOSA-N 0 3 320.502 3.392 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2cc(C)no2)C(C)(C)C1 ZINC001570888700 1190969925 /nfs/dbraw/zinc/96/99/25/1190969925.db2.gz JDBOCQJJHCCSCA-MRXNPFEDSA-N 0 3 321.465 3.394 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001571148524 1190984168 /nfs/dbraw/zinc/98/41/68/1190984168.db2.gz SICMEJNOBBTZRM-SHTZXODSSA-N 0 3 323.868 3.228 20 30 DGEDHN CCCC(=O)N[C@@H](C)CCCNCC#Cc1ccccc1Cl ZINC001571208777 1190986125 /nfs/dbraw/zinc/98/61/25/1190986125.db2.gz KSOCPDWVUALFBP-HNNXBMFYSA-N 0 3 320.864 3.366 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(CC)cc1 ZINC001571323285 1190992054 /nfs/dbraw/zinc/99/20/54/1190992054.db2.gz HONORCRXKATOBC-CQSZACIVSA-N 0 3 308.853 3.490 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001571355897 1191000834 /nfs/dbraw/zinc/00/08/34/1191000834.db2.gz ITTGFPXIOTYKCJ-PBHICJAKSA-N 0 3 316.445 3.187 20 30 DGEDHN C[C@@H](CN(C)C(=O)C12CCC(CC1)C2)NCC#Cc1ccccc1 ZINC001571393622 1191012729 /nfs/dbraw/zinc/01/27/29/1191012729.db2.gz SOYPAVPXYHMWKR-OCDPCBSRSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1nc(Cl)sc1C)C(C)C ZINC001571613033 1191058611 /nfs/dbraw/zinc/05/86/11/1191058611.db2.gz HVTCOYIQNLHMEJ-UHFFFAOYSA-N 0 3 315.870 3.073 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(Cl)c1Cl ZINC001571413873 1191019740 /nfs/dbraw/zinc/01/97/40/1191019740.db2.gz CXHVEIULIIYHRV-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2c(C)nsc2C)[C@@H]1C ZINC001571456742 1191022954 /nfs/dbraw/zinc/02/29/54/1191022954.db2.gz JGTPIJGVCPCWKF-XJKSGUPXSA-N 0 3 321.490 3.195 20 30 DGEDHN CCC(=CC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C)CC ZINC001571475976 1191027220 /nfs/dbraw/zinc/02/72/20/1191027220.db2.gz XUTYWTBPGHGLSF-XLIONFOSSA-N 0 3 324.468 3.364 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](CC)CC3CCCC3)CCC[C@@H]12 ZINC001571503073 1191034027 /nfs/dbraw/zinc/03/40/27/1191034027.db2.gz MKYZYBIAFKWARR-NLWGTHIKSA-N 0 3 316.489 3.339 20 30 DGEDHN CC#CCCCC(=O)N[C@]12CCC[C@H]1N(C[C@H](F)CC)CC2 ZINC001571503430 1191034465 /nfs/dbraw/zinc/03/44/65/1191034465.db2.gz RCLJORBUDOWULG-NUJGCVRESA-N 0 3 308.441 3.041 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CC2(c3ccccc3)CC2)[C@H]1C ZINC001571518452 1191041100 /nfs/dbraw/zinc/04/11/00/1191041100.db2.gz FSNVEISVNWKBQJ-AEFFLSMTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)C(C)C ZINC001571616471 1191063615 /nfs/dbraw/zinc/06/36/15/1191063615.db2.gz FAPQLVUJJNYHOB-INIZCTEOSA-N 0 3 320.452 3.359 20 30 DGEDHN CC(C)(C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001571636554 1191070929 /nfs/dbraw/zinc/07/09/29/1191070929.db2.gz DBBQZABOKSRNGG-CQSZACIVSA-N 0 3 321.490 3.286 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CCN(C[C@@H](F)CC)CC2)C1 ZINC001571645846 1191073472 /nfs/dbraw/zinc/07/34/72/1191073472.db2.gz WBZOYYASARNRPG-ZBFHGGJFSA-N 0 3 310.457 3.308 20 30 DGEDHN C#CCCCCC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001571656221 1191076851 /nfs/dbraw/zinc/07/68/51/1191076851.db2.gz NCTPXCXMGJEYTD-UHFFFAOYSA-N 0 3 317.260 3.078 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2cc(C)c(C)o2)c(F)c1 ZINC001571702024 1191085786 /nfs/dbraw/zinc/08/57/86/1191085786.db2.gz FOVJPCGXGHZHGL-UHFFFAOYSA-N 0 3 316.376 3.241 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@]2(C)CC=CCC2)c(F)c1 ZINC001571703265 1191086538 /nfs/dbraw/zinc/08/65/38/1191086538.db2.gz ZWCHJMSRGWUANV-IBGZPJMESA-N 0 3 316.420 3.464 20 30 DGEDHN C=C(C)[C@@H](NC(=O)[C@H](N)CC(=C)Cl)c1ccc(F)c(F)c1 ZINC001574852165 1191453754 /nfs/dbraw/zinc/45/37/54/1191453754.db2.gz QGWQLXJQLIRWNV-ZIAGYGMSSA-N 0 3 314.763 3.168 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC001574857157 1191454669 /nfs/dbraw/zinc/45/46/69/1191454669.db2.gz MQZUYROSKIPPRY-ZYHUDNBSSA-N 0 3 323.849 3.347 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001574902885 1191457443 /nfs/dbraw/zinc/45/74/43/1191457443.db2.gz ITQXMUULHZQMQR-HKUYNNGSSA-N 0 3 323.440 3.103 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC001574903159 1191457767 /nfs/dbraw/zinc/45/77/67/1191457767.db2.gz MRANIMXELFCZMO-HNNXBMFYSA-N 0 3 308.853 3.417 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001574903919 1191458269 /nfs/dbraw/zinc/45/82/69/1191458269.db2.gz XTPYEDXMJNCZBE-SQNIBIBYSA-N 0 3 300.446 3.198 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001574962684 1191460784 /nfs/dbraw/zinc/46/07/84/1191460784.db2.gz OAODOWZXZJHVKD-LIRRHRJNSA-N 0 3 324.399 3.411 20 30 DGEDHN CC#CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001574973095 1191461622 /nfs/dbraw/zinc/46/16/22/1191461622.db2.gz SEDGFWWJKJABLF-OIISXLGYSA-N 0 3 318.848 3.223 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001618813285 1193752851 /nfs/dbraw/zinc/75/28/51/1193752851.db2.gz FKUYDKXPPFDUNS-UHFFFAOYSA-N 0 3 306.425 3.070 20 30 DGEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC001620421826 1193767199 /nfs/dbraw/zinc/76/71/99/1193767199.db2.gz OGHVCVGWYVPLSD-FQEVSTJZSA-N 0 3 323.440 3.494 20 30 DGEDHN Cc1cccc(C)c1OCCNCc1cc(C#N)ccc1N(C)C ZINC001620736405 1193796534 /nfs/dbraw/zinc/79/65/34/1193796534.db2.gz KIVFOENLIFTYCN-UHFFFAOYSA-N 0 3 323.440 3.410 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001621066141 1193798398 /nfs/dbraw/zinc/79/83/98/1193798398.db2.gz CIYGNPUOPHWSGK-CQSZACIVSA-N 0 3 310.353 3.458 20 30 DGEDHN C=CCCN(C)Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001621256347 1193823579 /nfs/dbraw/zinc/82/35/79/1193823579.db2.gz JIONJOWPHVNMSN-UHFFFAOYSA-N 0 3 312.360 3.078 20 30 DGEDHN C#C[C@H](NC(=O)C1(N(C)C)CCCC1)c1ccc(Cl)cc1F ZINC001623825251 1193967581 /nfs/dbraw/zinc/96/75/81/1193967581.db2.gz AXDGSLTZUYWAGH-HNNXBMFYSA-N 0 3 322.811 3.144 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001624643575 1194007780 /nfs/dbraw/zinc/00/77/80/1194007780.db2.gz FGSQGRYCBGNIEU-WMZOPIPTSA-N 0 3 300.446 3.225 20 30 DGEDHN Cc1cc(C(=O)Nc2cccc(CN(C)C)c2)cc(C)c1C#N ZINC001624807100 1194015656 /nfs/dbraw/zinc/01/56/56/1194015656.db2.gz ZUVRFTIHVGIXLM-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC)c1cccc(Cl)c1 ZINC001625359289 1194047158 /nfs/dbraw/zinc/04/71/58/1194047158.db2.gz CGNRYFLWMCHUNH-KRWDZBQOSA-N 0 3 320.864 3.295 20 30 DGEDHN C#Cc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001628057540 1194157204 /nfs/dbraw/zinc/15/72/04/1194157204.db2.gz KDEWFDMTDBPCAU-UHFFFAOYSA-N 0 3 313.445 3.254 20 30 DGEDHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc(C)c1C#N ZINC001628614382 1194187944 /nfs/dbraw/zinc/18/79/44/1194187944.db2.gz USXNLFZNGCFVTQ-LJQANCHMSA-N 0 3 321.424 3.208 20 30 DGEDHN C=CCCC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001628634990 1194189423 /nfs/dbraw/zinc/18/94/23/1194189423.db2.gz RZJJDBAFZPYFTI-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H]1CCCCN1CCC)c1ccc(Cl)cc1 ZINC001629256659 1194223557 /nfs/dbraw/zinc/22/35/57/1194223557.db2.gz NWZHPTWGFSFXDT-SJORKVTESA-N 0 3 318.848 3.395 20 30 DGEDHN C=CCCCN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001629549154 1194240911 /nfs/dbraw/zinc/24/09/11/1194240911.db2.gz JILXHBIMCMYPJM-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC001631198927 1194324470 /nfs/dbraw/zinc/32/44/70/1194324470.db2.gz HOIVPHFXKGBPDM-IBGZPJMESA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cscc1C(F)F ZINC001634646875 1194507307 /nfs/dbraw/zinc/50/73/07/1194507307.db2.gz SVQWSKIFRLNJLI-UHFFFAOYSA-N 0 3 302.390 3.266 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC001635757826 1194570801 /nfs/dbraw/zinc/57/08/01/1194570801.db2.gz NESUBDOHYFSRDR-BPQIPLTHSA-N 0 3 300.446 3.002 20 30 DGEDHN C=C[C@H](C)ONC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001636610236 1194625021 /nfs/dbraw/zinc/62/50/21/1194625021.db2.gz PLNRIAAQLJLNPV-AWEZNQCLSA-N 0 3 311.470 3.035 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1csc(C2CCCCC2)c1 ZINC001637962441 1194694801 /nfs/dbraw/zinc/69/48/01/1194694801.db2.gz BSYXKLGDQDCAEZ-UHFFFAOYSA-N 0 3 318.486 3.481 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001640016523 1194791168 /nfs/dbraw/zinc/79/11/68/1194791168.db2.gz YSPXVCZDLDKAKB-GOEBONIOSA-N 0 3 322.399 3.035 20 30 DGEDHN C[C@H](C(=O)N([O-])CCCCc1ccccc1)[NH+]1CCCCCC1 ZINC001641861999 1194875981 /nfs/dbraw/zinc/87/59/81/1194875981.db2.gz OAIJFPCKWHYRFC-QGZVFWFLSA-N 0 3 318.461 3.492 20 30 DGEDHN CC1(C)CCC(CN2CCN(c3cnccc3C#N)CC2)CC1 ZINC001643257710 1195008952 /nfs/dbraw/zinc/00/89/52/1195008952.db2.gz PZNXRTNVCAXZTO-UHFFFAOYSA-N 0 3 312.461 3.292 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC001643758078 1195052471 /nfs/dbraw/zinc/05/24/71/1195052471.db2.gz CZGJMIVKXXDHPU-KRWDZBQOSA-N 0 3 312.457 3.466 20 30 DGEDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C1CCCC1 ZINC001644595629 1195119982 /nfs/dbraw/zinc/11/99/82/1195119982.db2.gz SEIWKQIBGMEKOG-OFAQMXQXSA-N 0 3 323.440 3.047 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc(C)c2)C1 ZINC001644688867 1195127114 /nfs/dbraw/zinc/12/71/14/1195127114.db2.gz DSZWCTCFZBRQHY-PMACEKPBSA-N 0 3 324.468 3.335 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccco1 ZINC001644706921 1195127970 /nfs/dbraw/zinc/12/79/70/1195127970.db2.gz PAPFRFNHDOLTNO-BBWFWOEESA-N 0 3 316.445 3.415 20 30 DGEDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2cccc(C#N)c2)n1 ZINC001644778451 1195133741 /nfs/dbraw/zinc/13/37/41/1195133741.db2.gz BSWRIJXIPLTSRG-OALUTQOASA-N 0 3 307.397 3.132 20 30 DGEDHN COCC#CCN[C@H]1c2cccc(Br)c2CC1(C)C ZINC001645881084 1195205737 /nfs/dbraw/zinc/20/57/37/1195205737.db2.gz LYQNAOKGKQWPCU-HNNXBMFYSA-N 0 3 322.246 3.312 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC001646287807 1195221197 /nfs/dbraw/zinc/22/11/97/1195221197.db2.gz SFGSXOHDDCYAEY-UKRRQHHQSA-N 0 3 312.335 3.256 20 30 DGEDHN CN(C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[C@H]1C#N ZINC001647993412 1195270242 /nfs/dbraw/zinc/27/02/42/1195270242.db2.gz NAQOUGJMCQTPDR-JONQDZQNSA-N 0 3 321.465 3.304 20 30 DGEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001648563433 1195309398 /nfs/dbraw/zinc/30/93/98/1195309398.db2.gz HRZLHJBCAXCDLE-CQSZACIVSA-N 0 3 320.820 3.165 20 30 DGEDHN C=CC[C@H](NCc1ccc(-n2cncn2)c(C)c1)c1ccncc1 ZINC001649807951 1195358309 /nfs/dbraw/zinc/35/83/09/1195358309.db2.gz XLCOMPDXWHOAHR-SFHVURJKSA-N 0 3 319.412 3.378 20 30 DGEDHN C=CCN(C)CCN(CC)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001651187260 1195424262 /nfs/dbraw/zinc/42/42/62/1195424262.db2.gz QTFDBFLJGMBWHA-UHFFFAOYSA-N 0 3 314.389 3.087 20 30 DGEDHN C#CC1(NCc2ccc(OC)c(Br)c2)CCCC1 ZINC001651473114 1195467485 /nfs/dbraw/zinc/46/74/85/1195467485.db2.gz YQLSXDWVDHNHEP-UHFFFAOYSA-N 0 3 308.219 3.493 20 30 DGEDHN C=C[C@H](C(=O)N1CCN(C2CCCC2)[C@H](C)C1)c1ccccc1 ZINC001651773793 1195507801 /nfs/dbraw/zinc/50/78/01/1195507801.db2.gz AODXLMWOTUALLG-APWZRJJASA-N 0 3 312.457 3.432 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN2CCc3ccsc3C2)cc1 ZINC001654996649 1195861486 /nfs/dbraw/zinc/86/14/86/1195861486.db2.gz HFGXJNGIJGGXNB-UHFFFAOYSA-N 0 3 310.422 3.116 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@H]1COC2(CCCCC2)O1 ZINC001655381733 1195910619 /nfs/dbraw/zinc/91/06/19/1195910619.db2.gz WAJGQFNIWSUFCX-SFHVURJKSA-N 0 3 314.429 3.108 20 30 DGEDHN C=CCOc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC001655637182 1195944268 /nfs/dbraw/zinc/94/42/68/1195944268.db2.gz BMPFZFPJVZGVDO-UHFFFAOYSA-N 0 3 320.396 3.122 20 30 DGEDHN CCC[C@@](C)(NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC001655861768 1195970520 /nfs/dbraw/zinc/97/05/20/1195970520.db2.gz UYJBUMLDEREZIT-QFBILLFUSA-N 0 3 315.461 3.300 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001656085527 1195996781 /nfs/dbraw/zinc/99/67/81/1195996781.db2.gz UPYDWSTYXJVJKH-QUCCMNQESA-N 0 3 324.468 3.400 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001656085526 1195997141 /nfs/dbraw/zinc/99/71/41/1195997141.db2.gz UPYDWSTYXJVJKH-ICSRJNTNSA-N 0 3 324.468 3.400 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1C ZINC001656109765 1196004853 /nfs/dbraw/zinc/00/48/53/1196004853.db2.gz RAVGNDVZSORKKE-IAGOWNOFSA-N 0 3 300.446 3.207 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCN1CCC)c1ccccc1 ZINC001656109529 1196004965 /nfs/dbraw/zinc/00/49/65/1196004965.db2.gz MGJZPMVCYKISKM-ZWKOTPCHSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001656354114 1196032055 /nfs/dbraw/zinc/03/20/55/1196032055.db2.gz QLCQGCDOXJPNKV-QLFBSQMISA-N 0 3 324.852 3.319 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2C)[C@@H]1C ZINC001656928578 1196084111 /nfs/dbraw/zinc/08/41/11/1196084111.db2.gz NWFYOFSQBROTAW-WBVHZDCISA-N 0 3 316.445 3.049 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1Cc1ccc(C2CC2)cc1 ZINC001656944905 1196085891 /nfs/dbraw/zinc/08/58/91/1196085891.db2.gz GCSSOCOCEMUZGJ-QRWLVFNGSA-N 0 3 322.452 3.056 20 30 DGEDHN C=CC[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccncc1 ZINC001657237382 1196122146 /nfs/dbraw/zinc/12/21/46/1196122146.db2.gz RCUGTCOZEPQKCI-QGZVFWFLSA-N 0 3 323.375 3.208 20 30 DGEDHN C=CC[C@H](C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001657436466 1196140592 /nfs/dbraw/zinc/14/05/92/1196140592.db2.gz ZWZBKOSTCAHHSX-GJZGRUSLSA-N 0 3 320.864 3.380 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCN(CC(C)C)CC1 ZINC001657585942 1196157888 /nfs/dbraw/zinc/15/78/88/1196157888.db2.gz IJFJLKCSBJHZNT-UHFFFAOYSA-N 0 3 320.864 3.126 20 30 DGEDHN CCC#C[C@@H](C)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC001657795207 1196178734 /nfs/dbraw/zinc/17/87/34/1196178734.db2.gz DZIUXBWCBFVACO-MRXNPFEDSA-N 0 3 316.445 3.018 20 30 DGEDHN C#Cc1ccc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001659162144 1196354954 /nfs/dbraw/zinc/35/49/54/1196354954.db2.gz UZDGEUAXCMDXKM-NRFANRHFSA-N 0 3 304.437 3.027 20 30 DGEDHN CN(C/C=C\c1cccc(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001660210461 1196457461 /nfs/dbraw/zinc/45/74/61/1196457461.db2.gz LZYQCNLRZVPWAN-BQHGXPCASA-N 0 3 310.372 3.376 20 30 DGEDHN CN(C/C=C\c1cccc(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001660210462 1196457687 /nfs/dbraw/zinc/45/76/87/1196457687.db2.gz LZYQCNLRZVPWAN-OCTSTCLRSA-N 0 3 310.372 3.376 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)CC1CCC1 ZINC001660506537 1196491431 /nfs/dbraw/zinc/49/14/31/1196491431.db2.gz FLEZMYAOZABZMU-UHFFFAOYSA-N 0 3 312.457 3.057 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001660991156 1196550677 /nfs/dbraw/zinc/55/06/77/1196550677.db2.gz CXOGYITYRJUZDZ-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](CC(C)C)OC)CC1 ZINC001661093620 1196564791 /nfs/dbraw/zinc/56/47/91/1196564791.db2.gz BBZWIWXOIPRTNZ-SFHVURJKSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](CC(C)C)OC)CC1 ZINC001661093619 1196565081 /nfs/dbraw/zinc/56/50/81/1196565081.db2.gz BBZWIWXOIPRTNZ-GOSISDBHSA-N 0 3 324.509 3.327 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC001661118435 1196569643 /nfs/dbraw/zinc/56/96/43/1196569643.db2.gz CLZPDGIFDHFDPQ-UHFFFAOYSA-N 0 3 307.825 3.033 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1ccc(F)cc1F)C1CC1 ZINC001661132079 1196571638 /nfs/dbraw/zinc/57/16/38/1196571638.db2.gz SFMALAMWKUKVFY-QGZVFWFLSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1cc(C)ns1)C1CC1 ZINC001661162442 1196574769 /nfs/dbraw/zinc/57/47/69/1196574769.db2.gz JESXTMGYWFZHGC-DOTOQJQBSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001661239584 1196586930 /nfs/dbraw/zinc/58/69/30/1196586930.db2.gz DYHOENSKXSJSDT-NXHRZFHOSA-N 0 3 313.445 3.034 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001661261958 1196589562 /nfs/dbraw/zinc/58/95/62/1196589562.db2.gz JZNDTYXZXKKHOF-BBWFWOEESA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001661268115 1196590181 /nfs/dbraw/zinc/59/01/81/1196590181.db2.gz XQUXQWFBHUZANE-MWDXBVQZSA-N 0 3 302.462 3.207 20 30 DGEDHN N#CCOc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000077434303 1196595581 /nfs/dbraw/zinc/59/55/81/1196595581.db2.gz KBUHCHBUFYAFJW-UHFFFAOYSA-N 0 3 318.380 3.064 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001661547825 1196617826 /nfs/dbraw/zinc/61/78/26/1196617826.db2.gz FKUCIXKZAYMCHV-FRFGOACMSA-N 0 3 322.880 3.245 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001661879826 1196656718 /nfs/dbraw/zinc/65/67/18/1196656718.db2.gz BOBMOEDCJAIWBO-HOCLYGCPSA-N 0 3 306.475 3.398 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](CCC)CC(C)C ZINC001661896125 1196660553 /nfs/dbraw/zinc/66/05/53/1196660553.db2.gz LHTIIFZCZAUSGC-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001661977406 1196668466 /nfs/dbraw/zinc/66/84/66/1196668466.db2.gz LMBIHSCNUICPPC-DLBZAZTESA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCCCC ZINC001661977595 1196669998 /nfs/dbraw/zinc/66/99/98/1196669998.db2.gz NBLOVODIEIETFB-QZTJIDSGSA-N 0 3 304.478 3.436 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001661989528 1196671875 /nfs/dbraw/zinc/67/18/75/1196671875.db2.gz OMHIROKPXMRWCE-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001661988792 1196672301 /nfs/dbraw/zinc/67/23/01/1196672301.db2.gz DWVKHFASUJIEPB-GOEBONIOSA-N 0 3 306.425 3.024 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)[C@@H](O)C(C)C ZINC001662124954 1196683618 /nfs/dbraw/zinc/68/36/18/1196683618.db2.gz QNLJPCMHYBEAEU-KRWDZBQOSA-N 0 3 323.864 3.485 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001662680161 1196739598 /nfs/dbraw/zinc/73/95/98/1196739598.db2.gz IUSJQAYBJXGDNP-OEMOTLHWSA-N 0 3 305.249 3.100 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001662851371 1196761388 /nfs/dbraw/zinc/76/13/88/1196761388.db2.gz RWVCZHIPISYRAU-FQEVSTJZSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCC[C@H](N(C)CC#CC)C1)c1ccccc1 ZINC001662878872 1196766433 /nfs/dbraw/zinc/76/64/33/1196766433.db2.gz XHFYURLYZPENIV-VQTJNVASSA-N 0 3 324.468 3.292 20 30 DGEDHN CCC(CC)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001662892751 1196769109 /nfs/dbraw/zinc/76/91/09/1196769109.db2.gz HSIGMPUOKZWAKM-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C[C@H](CCNC(=O)/C=C/C(C)(C)C)NCc1ccccc1C#N ZINC001662898807 1196769776 /nfs/dbraw/zinc/76/97/76/1196769776.db2.gz LHQWBMMCULBTAO-SLZMIMFISA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(C)CCC(C)CC1 ZINC001663019578 1196784003 /nfs/dbraw/zinc/78/40/03/1196784003.db2.gz GIBYUJXZJNFLAE-CXOJTPOUSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCCC(=O)NCCN(C)CCc1ccc2ccccc2c1 ZINC001663171319 1196803794 /nfs/dbraw/zinc/80/37/94/1196803794.db2.gz LKLADBNDRASJKC-UHFFFAOYSA-N 0 3 322.452 3.234 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(-c2ccco2)s1 ZINC001663309815 1196831634 /nfs/dbraw/zinc/83/16/34/1196831634.db2.gz XFTKNOKSKZUAJL-UHFFFAOYSA-N 0 3 304.415 3.246 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC001663488476 1196885318 /nfs/dbraw/zinc/88/53/18/1196885318.db2.gz YGESGEQZMOGMPJ-QGZVFWFLSA-N 0 3 324.424 3.317 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001663528550 1196896590 /nfs/dbraw/zinc/89/65/90/1196896590.db2.gz QKXYAWFLZCMCBN-QZTJIDSGSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN(CCC(F)(F)F)C1 ZINC001663587089 1196908775 /nfs/dbraw/zinc/90/87/75/1196908775.db2.gz DEQMFFVDKRNLDP-CYBMUJFWSA-N 0 3 318.383 3.145 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663608358 1196913146 /nfs/dbraw/zinc/91/31/46/1196913146.db2.gz KBRGCTJCUFBIIV-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001663710033 1196932174 /nfs/dbraw/zinc/93/21/74/1196932174.db2.gz CWHDVJCMBUXRQT-QWHCGFSZSA-N 0 3 319.836 3.141 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001663761276 1196941546 /nfs/dbraw/zinc/94/15/46/1196941546.db2.gz OFWTUCPLDQGIOS-UHFFFAOYSA-N 0 3 300.446 3.370 20 30 DGEDHN CCC[C@@H](C(=O)N(C)CCNCc1cccc(C#N)c1)C(C)C ZINC001664223011 1196981670 /nfs/dbraw/zinc/98/16/70/1196981670.db2.gz OGEFRUHQQWOVSJ-GOSISDBHSA-N 0 3 315.461 3.179 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccoc1)c1ccc(C(C)C)cc1 ZINC001664561693 1197014026 /nfs/dbraw/zinc/01/40/26/1197014026.db2.gz LDIKDBXCWZGGGG-LJQANCHMSA-N 0 3 324.424 3.487 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc(OCC)c1)c1ccccc1 ZINC001664592045 1197017756 /nfs/dbraw/zinc/01/77/56/1197017756.db2.gz AQDBLZDZKDLDQV-LJQANCHMSA-N 0 3 324.424 3.332 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(OCC)c1)c1ccccc1 ZINC001664592044 1197018204 /nfs/dbraw/zinc/01/82/04/1197018204.db2.gz AQDBLZDZKDLDQV-IBGZPJMESA-N 0 3 324.424 3.332 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C)cc(F)c2)C1 ZINC001664683523 1197033647 /nfs/dbraw/zinc/03/36/47/1197033647.db2.gz KQAPNKKHSILTRR-GOSISDBHSA-N 0 3 316.420 3.084 20 30 DGEDHN CCCCC(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001664695959 1197038530 /nfs/dbraw/zinc/03/85/30/1197038530.db2.gz ULFZXSMANVYYLS-LJQANCHMSA-N 0 3 312.457 3.057 20 30 DGEDHN C#Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001665211829 1197109736 /nfs/dbraw/zinc/10/97/36/1197109736.db2.gz YDOZXEUWMSNOBA-SFHVURJKSA-N 0 3 307.397 3.092 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001665405480 1197132809 /nfs/dbraw/zinc/13/28/09/1197132809.db2.gz HTYFSVVKSRQHNT-ROUUACIJSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN([C@@H](C)c2cccc(C)c2)C1 ZINC001665563893 1197151530 /nfs/dbraw/zinc/15/15/30/1197151530.db2.gz VLIKAJSZJMOYPP-DOTOQJQBSA-N 0 3 300.446 3.459 20 30 DGEDHN CCCCCCCN1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC001665637383 1197162525 /nfs/dbraw/zinc/16/25/25/1197162525.db2.gz RTXUGXJOMWFGPZ-AWEZNQCLSA-N 0 3 309.479 3.260 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCc2ccc(C)cc2)C1 ZINC001665732434 1197183085 /nfs/dbraw/zinc/18/30/85/1197183085.db2.gz UHGFMZJMQUFBKG-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001665737565 1197184343 /nfs/dbraw/zinc/18/43/43/1197184343.db2.gz KZOQRXSMDREPOS-IRXDYDNUSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)N[C@H]1CCc2c1c(F)ccc2F ZINC001665765242 1197190548 /nfs/dbraw/zinc/19/05/48/1197190548.db2.gz JEKQTPLICHSMHT-LRDDRELGSA-N 0 3 322.399 3.403 20 30 DGEDHN C#Cc1ccc(CN(CCCO)Cc2ccc(OC)cc2)cc1 ZINC001665863240 1197208891 /nfs/dbraw/zinc/20/88/91/1197208891.db2.gz OKYCTODNEPLSJU-UHFFFAOYSA-N 0 3 309.409 3.061 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001666111494 1197236872 /nfs/dbraw/zinc/23/68/72/1197236872.db2.gz SWDIPKPCTFPSLE-OAHLLOKOSA-N 0 3 310.869 3.458 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC001666341164 1197253567 /nfs/dbraw/zinc/25/35/67/1197253567.db2.gz NKSKQZKSIHXTQZ-VQIMIIECSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl ZINC001666615489 1197273575 /nfs/dbraw/zinc/27/35/75/1197273575.db2.gz GHPWCORPNBLBFG-GTTHROJTSA-N 0 3 307.265 3.250 20 30 DGEDHN CC1CC(C(=O)NCC2(NCC#Cc3ccccc3)CCCC2)C1 ZINC001666751739 1197282701 /nfs/dbraw/zinc/28/27/01/1197282701.db2.gz HVQGUDLJWLZBTF-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN CC(C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001666848843 1197289872 /nfs/dbraw/zinc/28/98/72/1197289872.db2.gz AHNSFDHTGPPTET-AWEZNQCLSA-N 0 3 319.424 3.070 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001666967912 1197302528 /nfs/dbraw/zinc/30/25/28/1197302528.db2.gz XUQJQRGKQSUHGX-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ncc(C)s2)[C@H](C)C1 ZINC001667197462 1197328532 /nfs/dbraw/zinc/32/85/32/1197328532.db2.gz IXKLIFZCTAZJBN-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN CCCCC(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C(C)C ZINC001667434750 1197348223 /nfs/dbraw/zinc/34/82/23/1197348223.db2.gz FVPFMULMHHXASO-QGZVFWFLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1ccc(F)cn1)C(C)C ZINC001667464218 1197351207 /nfs/dbraw/zinc/35/12/07/1197351207.db2.gz MYPAHOUIWVPBKB-MRXNPFEDSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1CCC2(CC2)CC1)C(C)C ZINC001667478735 1197352092 /nfs/dbraw/zinc/35/20/92/1197352092.db2.gz QHIRWEAZDBTVEK-OAHLLOKOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1scnc1C(C)(C)C ZINC001667634684 1197371933 /nfs/dbraw/zinc/37/19/33/1197371933.db2.gz PXVODOFGMSTDOW-UHFFFAOYSA-N 0 3 309.479 3.021 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC001667743664 1197384736 /nfs/dbraw/zinc/38/47/36/1197384736.db2.gz JLGKSDLWFCFJQF-DZGCQCFKSA-N 0 3 321.490 3.038 20 30 DGEDHN CCN(CCN[C@H](C)c1ccccc1F)C(=O)C#CC(C)(C)C ZINC001668426893 1197414447 /nfs/dbraw/zinc/41/44/47/1197414447.db2.gz WLWWCYKFGMJZFQ-OAHLLOKOSA-N 0 3 318.436 3.374 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1sc(C)nc1C ZINC001668546554 1197419083 /nfs/dbraw/zinc/41/90/83/1197419083.db2.gz VSBAQKWHFQIXSG-QGZVFWFLSA-N 0 3 323.506 3.300 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001669021535 1197437760 /nfs/dbraw/zinc/43/77/60/1197437760.db2.gz ZLPWXDQFNRWNMI-MJRGOJFPSA-N 0 3 322.399 3.329 20 30 DGEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C2CCC=CCC2)c1 ZINC001669195920 1197443504 /nfs/dbraw/zinc/44/35/04/1197443504.db2.gz WHFHSALFNQAFGF-AATRIKPKSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cnccc2C)CCCC1 ZINC001669489717 1197458462 /nfs/dbraw/zinc/45/84/62/1197458462.db2.gz MOWYNBRONWSWHU-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccc(Cl)nc2)CCC1 ZINC001669657919 1197468708 /nfs/dbraw/zinc/46/87/08/1197468708.db2.gz TYUQMSHEIRZAPD-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001669862943 1197493293 /nfs/dbraw/zinc/49/32/93/1197493293.db2.gz RPFPIZIATKUFPC-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)CC1 ZINC001669877081 1197495986 /nfs/dbraw/zinc/49/59/86/1197495986.db2.gz BOAZYZBUBBUOMG-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001669878062 1197497297 /nfs/dbraw/zinc/49/72/97/1197497297.db2.gz WPMACOSJYPZAHT-HNAYVOBHSA-N 0 3 320.452 3.407 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(CC(C)C)CCC1 ZINC001670169420 1197523349 /nfs/dbraw/zinc/52/33/49/1197523349.db2.gz WWABQKDCQKBDRP-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN CCCC1(C(=O)N2CCC[C@@H]2CNCC#Cc2ccccc2)CC1 ZINC001671347089 1197535596 /nfs/dbraw/zinc/53/55/96/1197535596.db2.gz NTHICOBXJADCBL-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2ccccc2C)CC1 ZINC001671436978 1197539760 /nfs/dbraw/zinc/53/97/60/1197539760.db2.gz HPLMPMUXAZHUGZ-MRXNPFEDSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2cccc(CC)c2)C1 ZINC001671891487 1197580945 /nfs/dbraw/zinc/58/09/45/1197580945.db2.gz BEUKSLTUFZPKIA-FQEVSTJZSA-N 0 3 314.473 3.196 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001671886864 1197581377 /nfs/dbraw/zinc/58/13/77/1197581377.db2.gz CHFJYYZXLDXKMU-ZBFHGGJFSA-N 0 3 314.420 3.216 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001671915827 1197584462 /nfs/dbraw/zinc/58/44/62/1197584462.db2.gz AFZIAPZWQACYRI-XLIONFOSSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)cc2OC)C1 ZINC001671912831 1197584964 /nfs/dbraw/zinc/58/49/64/1197584964.db2.gz TWCLWEXUGHGXLR-IBGZPJMESA-N 0 3 316.445 3.022 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001671915825 1197585160 /nfs/dbraw/zinc/58/51/60/1197585160.db2.gz AFZIAPZWQACYRI-PXNSSMCTSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccoc2C(C)C)C1 ZINC001671916319 1197586020 /nfs/dbraw/zinc/58/60/20/1197586020.db2.gz JHWXCTKFYJSFMG-GOSISDBHSA-N 0 3 304.434 3.421 20 30 DGEDHN CC(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1)C2 ZINC001672146782 1197593054 /nfs/dbraw/zinc/59/30/54/1197593054.db2.gz GMKYCBQWSWNCMD-UFYCRDLUSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@H](C=C)CC)C2)CC1 ZINC001672172018 1197594584 /nfs/dbraw/zinc/59/45/84/1197594584.db2.gz VUFMBMVXZAGMHN-IEBWSBKVSA-N 0 3 316.489 3.173 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cnccc1C)c1ccccc1CC ZINC001672175831 1197594894 /nfs/dbraw/zinc/59/48/94/1197594894.db2.gz BGDZQDJXXGHRRA-IBGZPJMESA-N 0 3 323.440 3.199 20 30 DGEDHN C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])CC1 ZINC001672361443 1197607351 /nfs/dbraw/zinc/60/73/51/1197607351.db2.gz YFASTGXPZOUXBM-WKILWMFISA-N 0 3 316.445 3.094 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)C1CCC1 ZINC001672392351 1197609166 /nfs/dbraw/zinc/60/91/66/1197609166.db2.gz KHTCNCPEPWTQBY-UHFFFAOYSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001672558737 1197617313 /nfs/dbraw/zinc/61/73/13/1197617313.db2.gz YQZHEGCFTPIXKP-ARFHVFGLSA-N 0 3 310.457 3.260 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccoc2CCC)cc1 ZINC001672944102 1197630503 /nfs/dbraw/zinc/63/05/03/1197630503.db2.gz WQZDJJPPSYPDFO-OAHLLOKOSA-N 0 3 324.424 3.446 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001673013779 1197634887 /nfs/dbraw/zinc/63/48/87/1197634887.db2.gz XRTHXDUGFATLDC-CVEARBPZSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2cccnc2C)CC1 ZINC001673390539 1197654968 /nfs/dbraw/zinc/65/49/68/1197654968.db2.gz FBQSDODXGPGABF-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CCCc2cccs2)CC1 ZINC001673407581 1197657302 /nfs/dbraw/zinc/65/73/02/1197657302.db2.gz SUBQWOKEYUHOLN-MRXNPFEDSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](F)CC ZINC001673632991 1197681630 /nfs/dbraw/zinc/68/16/30/1197681630.db2.gz BMFOYGKGFNOJQN-QZTJIDSGSA-N 0 3 318.436 3.244 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C(C)(C)C1 ZINC001674034106 1197725477 /nfs/dbraw/zinc/72/54/77/1197725477.db2.gz PSMGMVLDJPRGFS-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2sc(C)nc2C)[C@H](C)C1 ZINC001674120793 1197734449 /nfs/dbraw/zinc/73/44/49/1197734449.db2.gz MIRHLLFJSGSYQH-IUODEOHRSA-N 0 3 321.490 3.195 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001674212603 1197747113 /nfs/dbraw/zinc/74/71/13/1197747113.db2.gz YPYJWAOVEJZSRH-WMLDXEAASA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(F)cccc1Cl ZINC001674252872 1197751329 /nfs/dbraw/zinc/75/13/29/1197751329.db2.gz CTCDZHMZGCJDIK-JTQLQIEISA-N 0 3 319.207 3.330 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H](F)CC ZINC001674272018 1197756607 /nfs/dbraw/zinc/75/66/07/1197756607.db2.gz RGOASDSVJUVTHD-QZTJIDSGSA-N 0 3 318.436 3.416 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001674379460 1197766971 /nfs/dbraw/zinc/76/69/71/1197766971.db2.gz LOXYEESIXUVYJA-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)C/C=C\c1ccccc1 ZINC001674451192 1197778043 /nfs/dbraw/zinc/77/80/43/1197778043.db2.gz ZMGBAKYQKXYTGS-RVPHRTOXSA-N 0 3 324.468 3.282 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(C)c(Cl)c1 ZINC001674462924 1197779721 /nfs/dbraw/zinc/77/97/21/1197779721.db2.gz BRVDNFVJWZQDBR-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1c(F)cccc1F ZINC001674469835 1197780680 /nfs/dbraw/zinc/78/06/80/1197780680.db2.gz OUMSDDXYCOEQCA-KBPBESRZSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001674474441 1197781902 /nfs/dbraw/zinc/78/19/02/1197781902.db2.gz BODKTONDZLQJTL-PKOBYXMFSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CC(C)(C)CC(F)F ZINC001674470523 1197782211 /nfs/dbraw/zinc/78/22/11/1197782211.db2.gz XZRGNQJVZJWGDP-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)n(C(C)C)c1C ZINC001674496365 1197788158 /nfs/dbraw/zinc/78/81/58/1197788158.db2.gz WZYUWDYHGQVZDI-KRWDZBQOSA-N 0 3 317.477 3.408 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2cc(C)ccc2C)C1 ZINC001674579115 1197798764 /nfs/dbraw/zinc/79/87/64/1197798764.db2.gz TVBUGMSREPLHFT-UHFFFAOYSA-N 0 3 320.864 3.083 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C)cc1Cl ZINC001674662706 1197825665 /nfs/dbraw/zinc/82/56/65/1197825665.db2.gz YKLRFVAMMULBAV-CABCVRRESA-N 0 3 320.864 3.435 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001674672756 1197829540 /nfs/dbraw/zinc/82/95/40/1197829540.db2.gz IAJCBKPDWUGLQD-STQMWFEESA-N 0 3 309.841 3.074 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001674918026 1197918801 /nfs/dbraw/zinc/91/88/01/1197918801.db2.gz UNVFHODDBFFPFC-CQSZACIVSA-N 0 3 306.837 3.080 20 30 DGEDHN C[C@H](CNC(=O)C1(C)CCCC1)N(C)Cc1cccc(C#N)c1 ZINC001674969391 1197937726 /nfs/dbraw/zinc/93/77/26/1197937726.db2.gz BXZSZBRPRPJSAZ-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001675359606 1198052680 /nfs/dbraw/zinc/05/26/80/1198052680.db2.gz IAQMDMNVEHRXMQ-OAHLLOKOSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001675635789 1198099852 /nfs/dbraw/zinc/09/98/52/1198099852.db2.gz QGPZYTJFFPMICO-GVDBMIGSSA-N 0 3 322.880 3.149 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNCc2nc(C)cs2)C1 ZINC001675752604 1198133974 /nfs/dbraw/zinc/13/39/74/1198133974.db2.gz WWKVGQCZLFEAOI-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2nc(C)cs2)C1 ZINC001675796890 1198144129 /nfs/dbraw/zinc/14/41/29/1198144129.db2.gz FTHIEMZKDUDICK-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001675828006 1198149026 /nfs/dbraw/zinc/14/90/26/1198149026.db2.gz SDCVVDXOEDQILF-XJKCOSOUSA-N 0 3 324.827 3.166 20 30 DGEDHN C[C@H](CN(C)C(=O)/C=C/C(C)(C)C)NCC#Cc1ccccc1 ZINC001676318710 1198287206 /nfs/dbraw/zinc/28/72/06/1198287206.db2.gz RCVJFPYFKUEBOU-TUQDCPSNSA-N 0 3 312.457 3.077 20 30 DGEDHN C[C@@H](CN(C)C(=O)C#CC1CC1)N[C@@H](C)c1ccccc1Cl ZINC001676347117 1198297008 /nfs/dbraw/zinc/29/70/08/1198297008.db2.gz OMUGBLMEEINISX-KBPBESRZSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cccnc2)CCCC1 ZINC001676493187 1198337907 /nfs/dbraw/zinc/33/79/07/1198337907.db2.gz SIXHICZPBFTHHL-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001676712277 1198368819 /nfs/dbraw/zinc/36/88/19/1198368819.db2.gz LCTGIUVDGGWBSD-QGZVFWFLSA-N 0 3 315.461 3.305 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001676724333 1198374483 /nfs/dbraw/zinc/37/44/83/1198374483.db2.gz ZPZLNWPOTCCIDO-RDJZCZTQSA-N 0 3 316.420 3.098 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001676724331 1198375390 /nfs/dbraw/zinc/37/53/90/1198375390.db2.gz ZPZLNWPOTCCIDO-DOTOQJQBSA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001676735566 1198376047 /nfs/dbraw/zinc/37/60/47/1198376047.db2.gz MOFJDIVHXLNNRK-WFASDCNBSA-N 0 3 321.490 3.195 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3ccc(C)cc3)CCC[C@@H]12 ZINC001676810670 1198395988 /nfs/dbraw/zinc/39/59/88/1198395988.db2.gz VWHIMALYRFZFHT-CTNGQTDRSA-N 0 3 324.468 3.064 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCC3CCCCC3)CCC[C@@H]12 ZINC001676821993 1198401303 /nfs/dbraw/zinc/40/13/03/1198401303.db2.gz WMIFNGCEAOOJCR-UYAOXDASSA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC001676860360 1198414873 /nfs/dbraw/zinc/41/48/73/1198414873.db2.gz SUYXIRIVVNZVGC-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001676885524 1198422230 /nfs/dbraw/zinc/42/22/30/1198422230.db2.gz BVJFCRQVSQQMHS-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNCc2csc(CC)n2)C1 ZINC001676909732 1198431624 /nfs/dbraw/zinc/43/16/24/1198431624.db2.gz GFSAQVAUNGGZGK-ZIAGYGMSSA-N 0 3 321.490 3.046 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1Cc2ccccc21)C(C)C ZINC001677208346 1198486959 /nfs/dbraw/zinc/48/69/59/1198486959.db2.gz BJHZWMUUFORHQE-GOSISDBHSA-N 0 3 300.446 3.071 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(Cl)c(F)c1)C(C)C ZINC001677211193 1198488947 /nfs/dbraw/zinc/48/89/47/1198488947.db2.gz DRVKXLMONHXKTG-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2occc2s1)C(C)C ZINC001677211220 1198490248 /nfs/dbraw/zinc/49/02/48/1198490248.db2.gz FMTINDMHKLUHOW-UHFFFAOYSA-N 0 3 306.431 3.463 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)Cc1ccccc1)C(C)C ZINC001677219691 1198493343 /nfs/dbraw/zinc/49/33/43/1198493343.db2.gz ZRFSINUKDHJCKP-GOSISDBHSA-N 0 3 314.473 3.057 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001677232719 1198497948 /nfs/dbraw/zinc/49/79/48/1198497948.db2.gz IWLFROIVQHDABJ-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001677350985 1198520011 /nfs/dbraw/zinc/52/00/11/1198520011.db2.gz STEATFVKDFALKL-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)C[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC001677467395 1198540764 /nfs/dbraw/zinc/54/07/64/1198540764.db2.gz KJQAYTYAIBGZAZ-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001683111101 1199236499 /nfs/dbraw/zinc/23/64/99/1199236499.db2.gz GCKKVTZMKRHVMF-MAUKXSAKSA-N 0 3 317.477 3.362 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCN(C2CCCC2)CC1 ZINC001683261092 1199252917 /nfs/dbraw/zinc/25/29/17/1199252917.db2.gz WLDMUFMIRCEKHE-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC000301678856 1199454063 /nfs/dbraw/zinc/45/40/63/1199454063.db2.gz KCOABQAIBNJFOE-KRWDZBQOSA-N 0 3 323.352 3.120 20 30 DGEDHN C=CCCC1(CNC(=O)N(C)[C@@H]2CCCN(C)C2)CCCC1 ZINC001687039895 1199614125 /nfs/dbraw/zinc/61/41/25/1199614125.db2.gz YYYMKAOVCUTHFH-MRXNPFEDSA-N 0 3 307.482 3.249 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(OCC#N)c2)cc1 ZINC000113346842 1199667278 /nfs/dbraw/zinc/66/72/78/1199667278.db2.gz PAMIOPPYLYQBQJ-HNNXBMFYSA-N 0 3 321.380 3.170 20 30 DGEDHN C#CCCOc1ccc(CNCc2cccc(OCC#N)c2)cc1 ZINC000113347462 1199667406 /nfs/dbraw/zinc/66/74/06/1199667406.db2.gz SLWQGARRTCUYPM-UHFFFAOYSA-N 0 3 320.392 3.281 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001688886610 1199943399 /nfs/dbraw/zinc/94/33/99/1199943399.db2.gz SZYWEZMVYKFCBW-CRAIPNDOSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001688890799 1199945652 /nfs/dbraw/zinc/94/56/52/1199945652.db2.gz CSBFVKZWFRRAMY-HOTGVXAUSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001688950021 1199969670 /nfs/dbraw/zinc/96/96/70/1199969670.db2.gz SZHAYIFHAJYROZ-KKUMJFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)CCc2ccccc2F)C1 ZINC001753863158 1200011589 /nfs/dbraw/zinc/01/15/89/1200011589.db2.gz QWVVPRPOWLGEMH-UHFFFAOYSA-N 0 3 318.436 3.115 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)CCc1cccs1 ZINC001753864374 1200014250 /nfs/dbraw/zinc/01/42/50/1200014250.db2.gz JECHCHDLJAZVGD-UHFFFAOYSA-N 0 3 308.491 3.283 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)/C=C/C(C)(C)C ZINC001689141745 1200043211 /nfs/dbraw/zinc/04/32/11/1200043211.db2.gz BVGXLHRJTDFRDA-XVOPWDCPSA-N 0 3 316.489 3.217 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C/C=C/c1ccc(F)cc1 ZINC001753976436 1200057127 /nfs/dbraw/zinc/05/71/27/1200057127.db2.gz ZPKSPTFRQYMIAZ-XGACYXMMSA-N 0 3 324.827 3.466 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001754004049 1200066751 /nfs/dbraw/zinc/06/67/51/1200066751.db2.gz SCPLYMMKRWCQFW-CAOSSQGBSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCNCCN(CC)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001754083518 1200098213 /nfs/dbraw/zinc/09/82/13/1200098213.db2.gz JZBABLXDPYDQDN-UHFFFAOYSA-N 0 3 306.837 3.148 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)CC(F)F ZINC001689349102 1200103609 /nfs/dbraw/zinc/10/36/09/1200103609.db2.gz XAXYRHALSVTTPG-KBPBESRZSA-N 0 3 302.409 3.167 20 30 DGEDHN C[C@@H](C(=O)NC/C=C\CNCc1ccc(C#N)cc1)C(C)(C)C ZINC001754138299 1200111958 /nfs/dbraw/zinc/11/19/58/1200111958.db2.gz FYXAQBYFTNHHBH-YVACAVLKSA-N 0 3 313.445 3.002 20 30 DGEDHN CCC(C)(CC)C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001754207796 1200132512 /nfs/dbraw/zinc/13/25/12/1200132512.db2.gz GLHQTPUVOHAJQC-SREVYHEPSA-N 0 3 313.445 3.147 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001754239970 1200147382 /nfs/dbraw/zinc/14/73/82/1200147382.db2.gz YJWWTDNYQUMYQG-KGLIPLIRSA-N 0 3 322.399 3.314 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CCC=CCCC1 ZINC001754272400 1200165300 /nfs/dbraw/zinc/16/53/00/1200165300.db2.gz HVSKKAJSWJFXKB-ICSRJNTNSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1cc(Cl)ccc1OC ZINC001754278991 1200168193 /nfs/dbraw/zinc/16/81/93/1200168193.db2.gz SVBHHEXKPPTACN-LBPRGKRZSA-N 0 3 324.852 3.155 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001754295078 1200179309 /nfs/dbraw/zinc/17/93/09/1200179309.db2.gz LTXCOEDMWUVNLA-HNNXBMFYSA-N 0 3 318.436 3.098 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(Cl)sc1Cl ZINC001754313031 1200198187 /nfs/dbraw/zinc/19/81/87/1200198187.db2.gz NBDJFRPIQTYIRO-MRVPVSSYSA-N 0 3 307.246 3.291 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)CCOc1cccc(C)c1 ZINC001754318581 1200205129 /nfs/dbraw/zinc/20/51/29/1200205129.db2.gz IEGAFSCWQLQATI-MRXNPFEDSA-N 0 3 318.461 3.023 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001754418059 1200258204 /nfs/dbraw/zinc/25/82/04/1200258204.db2.gz UERDGKAWPUCSFO-GOSISDBHSA-N 0 3 320.864 3.081 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001754484533 1200294988 /nfs/dbraw/zinc/29/49/88/1200294988.db2.gz CGZCYMYHNWWEPQ-SJLPKXTDSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCCc1ccc(F)cc1 ZINC001754495729 1200309893 /nfs/dbraw/zinc/30/98/93/1200309893.db2.gz QFIQHUFTLOZJBQ-GOSISDBHSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001754496990 1200312809 /nfs/dbraw/zinc/31/28/09/1200312809.db2.gz ZRCPOQWFKAUSHT-OAHLLOKOSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](CC)Cc1ccccc1C ZINC001689876118 1200312739 /nfs/dbraw/zinc/31/27/39/1200312739.db2.gz PEFORLLSOFXHDF-GOSISDBHSA-N 0 3 314.473 3.025 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1oc2c(cccc2C)c1C ZINC001689891259 1200316763 /nfs/dbraw/zinc/31/67/63/1200316763.db2.gz VAXFBPVSZLDGBG-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001754500459 1200318172 /nfs/dbraw/zinc/31/81/72/1200318172.db2.gz JPTOZETXGSJNQM-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001754501141 1200318295 /nfs/dbraw/zinc/31/82/95/1200318295.db2.gz UTGTYXHHRILEIF-KGLIPLIRSA-N 0 3 319.449 3.131 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001689895718 1200318893 /nfs/dbraw/zinc/31/88/93/1200318893.db2.gz BIOIYQOESBASHN-HOCLYGCPSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001754506152 1200322853 /nfs/dbraw/zinc/32/28/53/1200322853.db2.gz XNGBBBDGXGJRLU-DLBZAZTESA-N 0 3 300.446 3.255 20 30 DGEDHN CCC(C)(CC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001754534100 1200346361 /nfs/dbraw/zinc/34/63/61/1200346361.db2.gz DODLJZDIKBPPTG-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001690033697 1200376912 /nfs/dbraw/zinc/37/69/12/1200376912.db2.gz GRCXKUMGDSOMAT-GOSISDBHSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001754615180 1200395846 /nfs/dbraw/zinc/39/58/46/1200395846.db2.gz DJEOAOWYGDYNBU-ZPBCLNFZSA-N 0 3 322.452 3.141 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC001754628943 1200406248 /nfs/dbraw/zinc/40/62/48/1200406248.db2.gz LMCNZMOAJKQTDQ-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C#CCNC[C@H](NC(=O)[C@H](C)C1CC1)c1ccc2ccccc2c1 ZINC001754644281 1200411961 /nfs/dbraw/zinc/41/19/61/1200411961.db2.gz RTWDAYYRUADEPB-QRWLVFNGSA-N 0 3 320.436 3.266 20 30 DGEDHN O=C(NC[C@H](NCC#Cc1ccccc1)C1CC1)C1CCCCC1 ZINC001690141651 1200419016 /nfs/dbraw/zinc/41/90/16/1200419016.db2.gz ZIECKVUNWWCINQ-FQEVSTJZSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(CCOC2CCCCCC2)C1 ZINC001754668033 1200429491 /nfs/dbraw/zinc/42/94/91/1200429491.db2.gz CSNVSNOUMWACNY-LJQANCHMSA-N 0 3 322.493 3.273 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001754681580 1200440514 /nfs/dbraw/zinc/44/05/14/1200440514.db2.gz CUVVBFXCEDPUDK-KSSFIOAISA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001754682130 1200440592 /nfs/dbraw/zinc/44/05/92/1200440592.db2.gz JBQDOKUNRCMNEO-KDOFPFPSSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001754683009 1200441663 /nfs/dbraw/zinc/44/16/63/1200441663.db2.gz QFCMLPRZZCYDNX-BEFAXECRSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001754686030 1200445804 /nfs/dbraw/zinc/44/58/04/1200445804.db2.gz XOIWUNXUOXAZQP-YLJYHZDGSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CSCCC ZINC001690202115 1200452711 /nfs/dbraw/zinc/45/27/11/1200452711.db2.gz JCBAXTKEHGCBHY-HRCADAONSA-N 0 3 310.507 3.160 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC001690199757 1200453719 /nfs/dbraw/zinc/45/37/19/1200453719.db2.gz YJTUFWVNEABWMH-OLMNPRSZSA-N 0 3 316.420 3.469 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001754732677 1200478266 /nfs/dbraw/zinc/47/82/66/1200478266.db2.gz AAXIQDHLOWAFHU-NRFANRHFSA-N 0 3 324.468 3.031 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccn2C(C)C)C1 ZINC001754734909 1200479066 /nfs/dbraw/zinc/47/90/66/1200479066.db2.gz ZRPPJFJDRXGGCT-SFHVURJKSA-N 0 3 303.450 3.087 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1CC ZINC001754788363 1200491428 /nfs/dbraw/zinc/49/14/28/1200491428.db2.gz CJHVMJIIHZBHFZ-OALUTQOASA-N 0 3 324.468 3.209 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001690360257 1200513062 /nfs/dbraw/zinc/51/30/62/1200513062.db2.gz GBZLUEADVMEKDO-QRQLOZEOSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001754921454 1200538465 /nfs/dbraw/zinc/53/84/65/1200538465.db2.gz SJDWRHXEPYAQLG-GDBMZVCRSA-N 0 3 318.864 3.486 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)n2cccc2)cc1 ZINC001754947020 1200548248 /nfs/dbraw/zinc/54/82/48/1200548248.db2.gz CUCXZVCRZKZQRR-IRXDYDNUSA-N 0 3 323.440 3.039 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001690452954 1200567269 /nfs/dbraw/zinc/56/72/69/1200567269.db2.gz OXZKQIDWARIWLO-CQSZACIVSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCCn1c(CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001690464616 1200577107 /nfs/dbraw/zinc/57/71/07/1200577107.db2.gz HAVCMRMFZUPOIH-UHFFFAOYSA-N 0 3 319.497 3.117 20 30 DGEDHN CC#CCNC1(CNC(=O)C2(CCc3ccccc3)CC2)CCC1 ZINC001754997553 1200579606 /nfs/dbraw/zinc/57/96/06/1200579606.db2.gz ZZQLGKFWLHQMBF-UHFFFAOYSA-N 0 3 324.468 3.051 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#CC ZINC001690490486 1200587496 /nfs/dbraw/zinc/58/74/96/1200587496.db2.gz AQVCZKSSRKKYCR-QZTJIDSGSA-N 0 3 316.489 3.458 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2c(cccc2C)o1 ZINC001755047460 1200618324 /nfs/dbraw/zinc/61/83/24/1200618324.db2.gz KLVQWIKBPHNQCL-UHFFFAOYSA-N 0 3 312.413 3.158 20 30 DGEDHN CC(C)C#CC(=O)NCc1ccc2c(c1)CN(CCC1CC1)C2 ZINC001755100633 1200634259 /nfs/dbraw/zinc/63/42/59/1200634259.db2.gz ASCOKEJKMQSDMR-UHFFFAOYSA-N 0 3 310.441 3.078 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2c(C)nsc2C)CCC1 ZINC001690618928 1200651694 /nfs/dbraw/zinc/65/16/94/1200651694.db2.gz KMAJUABOSYQWAF-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCCc2ccsc2)C(C)(C)C1 ZINC001755137930 1200656453 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C=CCCC(=O)NCC[C@H](C)N[C@H](C)c1nc2ccccc2o1 ZINC001690835845 1200742133 /nfs/dbraw/zinc/74/21/33/1200742133.db2.gz NQCJWWLKEYTQKS-UONOGXRCSA-N 0 3 315.417 3.339 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1ccc(C)cc1 ZINC001690851539 1200750195 /nfs/dbraw/zinc/75/01/95/1200750195.db2.gz AEGUDPHNUIFXSX-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@]12C[C@H]1CCC2 ZINC001690902823 1200776908 /nfs/dbraw/zinc/77/69/08/1200776908.db2.gz CTOJBPPDADJGLY-HLLBOEOZSA-N 0 3 310.869 3.290 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001755299500 1200779159 /nfs/dbraw/zinc/77/91/59/1200779159.db2.gz VLZIICKRNVGVAI-GJZGRUSLSA-N 0 3 320.864 3.497 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)C/C=C/c2ccccc2)C1 ZINC001755314252 1200799165 /nfs/dbraw/zinc/79/91/65/1200799165.db2.gz DGKHQWRSRMMHSG-YRYLYKBFSA-N 0 3 312.457 3.493 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001755322884 1200812814 /nfs/dbraw/zinc/81/28/14/1200812814.db2.gz CTZVRRPIXMUWRV-CQSZACIVSA-N 0 3 300.402 3.286 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCOC ZINC001691833256 1200827370 /nfs/dbraw/zinc/82/73/70/1200827370.db2.gz DCAUMBDLPAEDAL-CALCHBBNSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001755399279 1200875267 /nfs/dbraw/zinc/87/52/67/1200875267.db2.gz BYPLHTDVICJWBX-VQIMIIECSA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCC(C)C)C2)CC1 ZINC001691958629 1200887467 /nfs/dbraw/zinc/88/74/67/1200887467.db2.gz YUPSHSLBKFIESV-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001691972364 1200894337 /nfs/dbraw/zinc/89/43/37/1200894337.db2.gz QYXSJGCWXCZKTB-LJQANCHMSA-N 0 3 324.468 3.009 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001755478035 1200912843 /nfs/dbraw/zinc/91/28/43/1200912843.db2.gz OEZPFKVTALYVGM-YRGRVCCFSA-N 0 3 312.866 3.089 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc(C)c1F ZINC001755500329 1200923714 /nfs/dbraw/zinc/92/37/14/1200923714.db2.gz IJEYMGUMKOEFIR-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC[C@H](F)CC ZINC001692081428 1200925831 /nfs/dbraw/zinc/92/58/31/1200925831.db2.gz CVKLRJVXCWJGHZ-ZACQAIPSSA-N 0 3 310.457 3.145 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001692091513 1200927635 /nfs/dbraw/zinc/92/76/35/1200927635.db2.gz SJYNCEPNHHOWTP-GOSISDBHSA-N 0 3 300.446 3.166 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@H](C)C(F)(F)F ZINC001755512856 1200928431 /nfs/dbraw/zinc/92/84/31/1200928431.db2.gz XAFCIYKBUCARNO-ONGXEEELSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001755523873 1200932832 /nfs/dbraw/zinc/93/28/32/1200932832.db2.gz ZQEHNJOJBCXTPW-BPLDGKMQSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H]1CC ZINC001692177596 1200959491 /nfs/dbraw/zinc/95/94/91/1200959491.db2.gz ZRDHMDDWQGMYLK-DLBZAZTESA-N 0 3 318.486 3.411 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(C/C=C/c2ccccc2)[C@@H]1CC ZINC001692178704 1200960373 /nfs/dbraw/zinc/96/03/73/1200960373.db2.gz CBTMUYBJCPRLMM-UHNXPTMUSA-N 0 3 324.468 3.472 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)[C@H]1CC ZINC001692214857 1200973350 /nfs/dbraw/zinc/97/33/50/1200973350.db2.gz NZZJQGBFZWXBPV-YESZJQIVSA-N 0 3 306.494 3.441 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H](C)NC/C=C\Cl)CCCCC1 ZINC001755619705 1200994860 /nfs/dbraw/zinc/99/48/60/1200994860.db2.gz ZHJNEDXQMJOTQR-LDCOFTPGSA-N 0 3 310.869 3.149 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CCC1CCC1 ZINC001755650401 1200997081 /nfs/dbraw/zinc/99/70/81/1200997081.db2.gz LVHKSQRFBDRONS-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ccc(Cl)nc2)C[C@@H]1C ZINC001755677642 1201010372 /nfs/dbraw/zinc/01/03/72/1201010372.db2.gz ZZSQQCZBMHCTFV-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3ccccc32)C1 ZINC001755688095 1201015426 /nfs/dbraw/zinc/01/54/26/1201015426.db2.gz FWGRPJDWPMPLSC-DOTOQJQBSA-N 0 3 306.409 3.056 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001755691355 1201019476 /nfs/dbraw/zinc/01/94/76/1201019476.db2.gz WEISLMWKZRNXCW-DZGCQCFKSA-N 0 3 318.848 3.173 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H](CC)C(C)C)CCC[C@H]12 ZINC001755704387 1201028210 /nfs/dbraw/zinc/02/82/10/1201028210.db2.gz LBLZPUFSUGOEEP-JENIJYKNSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cncs2)[C@@H]1C ZINC001755713800 1201034452 /nfs/dbraw/zinc/03/44/52/1201034452.db2.gz DKUSNXPMMWADBG-GJZGRUSLSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c2ccccc12 ZINC001692371231 1201039339 /nfs/dbraw/zinc/03/93/39/1201039339.db2.gz WSMIHMSKJHYDFZ-HOTGVXAUSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)F ZINC001692371132 1201039488 /nfs/dbraw/zinc/03/94/88/1201039488.db2.gz SNRPJHXTMBPAKN-KBPBESRZSA-N 0 3 300.393 3.063 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)F ZINC001692371260 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C=CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001698567563 1201237637 /nfs/dbraw/zinc/23/76/37/1201237637.db2.gz SQBWLDYEOJIAPK-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001698579706 1201256060 /nfs/dbraw/zinc/25/60/60/1201256060.db2.gz XGBVGVUBJJJEOK-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001698586597 1201261089 /nfs/dbraw/zinc/26/10/89/1201261089.db2.gz WHOGOTZHDREKBX-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@@H](CNC(=O)C=C1CCCCC1)NCC#Cc1ccccc1 ZINC001698593994 1201267348 /nfs/dbraw/zinc/26/73/48/1201267348.db2.gz DKQAFFRPEHTIIK-FQEVSTJZSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001698611540 1201280914 /nfs/dbraw/zinc/28/09/14/1201280914.db2.gz ZHPVBDNPDVJTDU-XMRSSTEGSA-N 0 3 317.458 3.127 20 30 DGEDHN C[C@H](C(=O)NC1(CNCC#Cc2ccccc2)CCCC1)C1CC1 ZINC001698628704 1201297672 /nfs/dbraw/zinc/29/76/72/1201297672.db2.gz 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ZINC001698850714 1201505572 /nfs/dbraw/zinc/50/55/72/1201505572.db2.gz PCORTHZUUATIIE-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC001698868983 1201527859 /nfs/dbraw/zinc/52/78/59/1201527859.db2.gz DJONKZHCBNQMFU-LJQANCHMSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cccn1CC ZINC001698923766 1201577455 /nfs/dbraw/zinc/57/74/55/1201577455.db2.gz UHNFUMKDILZEFJ-HNNXBMFYSA-N 0 3 323.868 3.235 20 30 DGEDHN C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001698924774 1201577956 /nfs/dbraw/zinc/57/79/56/1201577956.db2.gz CMHHTFRMELENPP-CVEARBPZSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C\Cl ZINC001699029103 1201694730 /nfs/dbraw/zinc/69/47/30/1201694730.db2.gz OLKDVSSCSFARBO-NUBPSFNZSA-N 0 3 319.276 3.392 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)sc1C ZINC001699114928 1201717789 /nfs/dbraw/zinc/71/77/89/1201717789.db2.gz GDRNOZBGONXVDW-JTQLQIEISA-N 0 3 300.855 3.215 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@H](CC)c1ccccc1 ZINC001699214853 1201757821 /nfs/dbraw/zinc/75/78/21/1201757821.db2.gz SSLONVRUUJQKST-KRWDZBQOSA-N 0 3 300.446 3.032 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2ccco2)CC1 ZINC001752439681 1201838599 /nfs/dbraw/zinc/83/85/99/1201838599.db2.gz MGRYIGUQJIASGX-UHFFFAOYSA-N 0 3 304.434 3.101 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccccc2F)CCC1 ZINC001699417187 1201850471 /nfs/dbraw/zinc/85/04/71/1201850471.db2.gz BDOOGRNORDPKHL-AWEZNQCLSA-N 0 3 304.409 3.166 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(C)c1 ZINC001752542089 1201873332 /nfs/dbraw/zinc/87/33/32/1201873332.db2.gz GMYXSUMNVHCUEH-CALCHBBNSA-N 0 3 316.420 3.389 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1)C(C)(C)C ZINC001699451719 1201890308 /nfs/dbraw/zinc/89/03/08/1201890308.db2.gz YHCCLSZRKRDRLB-GJZGRUSLSA-N 0 3 315.461 3.177 20 30 DGEDHN C[C@@H]1CCC[C@]1(C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001752766559 1201909490 /nfs/dbraw/zinc/90/94/90/1201909490.db2.gz 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1201966939 /nfs/dbraw/zinc/96/69/39/1201966939.db2.gz KGZJKNKNPMLGSK-CVEARBPZSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001699630700 1201995311 /nfs/dbraw/zinc/99/53/11/1201995311.db2.gz SBXXBSCQQAAFRY-DOTOQJQBSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCc1cc(C)ccc1OC ZINC001752891149 1201996478 /nfs/dbraw/zinc/99/64/78/1201996478.db2.gz DYUHNTJZTYOCDP-HNNXBMFYSA-N 0 3 318.461 3.200 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1ccccc1C ZINC001699636161 1202000894 /nfs/dbraw/zinc/00/08/94/1202000894.db2.gz WJRURTWNMRMYHX-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001699636373 1202003121 /nfs/dbraw/zinc/00/31/21/1202003121.db2.gz BREIYGVFWOQSDE-OAHLLOKOSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C1CCC(C(=O)NCC2(NCc3ccc(C)cc3)CC2)CC1 ZINC001699663174 1202022063 /nfs/dbraw/zinc/02/20/63/1202022063.db2.gz ICSWWLSHDRJGCM-UHFFFAOYSA-N 0 3 312.457 3.480 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC=C ZINC001699691143 1202037498 /nfs/dbraw/zinc/03/74/98/1202037498.db2.gz YQPTWVXIEXCCKA-HDICACEKSA-N 0 3 302.462 3.212 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C(C)(C)CC(C)C)C2)CC1 ZINC001699700980 1202040627 /nfs/dbraw/zinc/04/06/27/1202040627.db2.gz WHBHJDKQWWRWAE-UHFFFAOYSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](C)CCCCCC)C2)C1 ZINC001699704885 1202042474 /nfs/dbraw/zinc/04/24/74/1202042474.db2.gz FQLPZOCBQDKRDF-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001753007515 1202056091 /nfs/dbraw/zinc/05/60/91/1202056091.db2.gz REUDKLXILYKLIZ-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN O=C(NCCC[C@@H]1CCCN1CC#Cc1ccccc1)C1CCC1 ZINC001753022918 1202065068 /nfs/dbraw/zinc/06/50/68/1202065068.db2.gz OIRQJYAUPBFKHV-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001699758200 1202067875 /nfs/dbraw/zinc/06/78/75/1202067875.db2.gz 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CC#CCN1CCC([C@H]2CCCN(C(=O)CCCC)C2)CC1 ZINC001699976572 1202154475 /nfs/dbraw/zinc/15/44/75/1202154475.db2.gz PUMYTQCPNUOMFK-SFHVURJKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C/C=C(/C)C=C)C2)CC1 ZINC001699976954 1202154854 /nfs/dbraw/zinc/15/48/54/1202154854.db2.gz ZAHMDUVVOMWCMI-OGHDXOPJSA-N 0 3 314.473 3.093 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001753145085 1202163002 /nfs/dbraw/zinc/16/30/02/1202163002.db2.gz UZBDITARRUUYLN-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(F)c2ccccc12 ZINC001753148458 1202166199 /nfs/dbraw/zinc/16/61/99/1202166199.db2.gz WUEDVBFLSYBRMP-UHFFFAOYSA-N 0 3 312.388 3.054 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](F)c2ccccc2)C1 ZINC001700080266 1202174522 /nfs/dbraw/zinc/17/45/22/1202174522.db2.gz VGPHBLOUUXNGJQ-GDBMZVCRSA-N 0 3 324.827 3.278 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(CC)cc2)C1 ZINC001700091453 1202177634 /nfs/dbraw/zinc/17/76/34/1202177634.db2.gz OWTXTOHDFIACDG-INIZCTEOSA-N 0 3 320.864 3.443 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCC(C)(F)F ZINC001700092177 1202178341 /nfs/dbraw/zinc/17/83/41/1202178341.db2.gz VGVFNFYRJZDWQG-UHFFFAOYSA-N 0 3 310.388 3.356 20 30 DGEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)C1CCCCCC1 ZINC001753175072 1202180949 /nfs/dbraw/zinc/18/09/49/1202180949.db2.gz XZJPWPBQFJVEFP-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)C(C)(C)C)cccc2C1 ZINC001700123201 1202185153 /nfs/dbraw/zinc/18/51/53/1202185153.db2.gz XFXNANSHXDCBGO-UHFFFAOYSA-N 0 3 300.446 3.283 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cncc(C)c2)CCC1 ZINC001700137724 1202189436 /nfs/dbraw/zinc/18/94/36/1202189436.db2.gz RLYKXMDTAMESPI-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](F)CC)c1ccc(C(C)C)cc1 ZINC001753294075 1202198909 /nfs/dbraw/zinc/19/89/09/1202198909.db2.gz DCEGQFPTBAPNLY-IRXDYDNUSA-N 0 3 306.425 3.491 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(F)ccc1C)c1ccccc1 ZINC001753299220 1202200410 /nfs/dbraw/zinc/20/04/10/1202200410.db2.gz ARHQRIOBZNQBGL-SFHVURJKSA-N 0 3 312.388 3.381 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCCN(C)Cc2cccnc2)CC1 ZINC001700192668 1202206138 /nfs/dbraw/zinc/20/61/38/1202206138.db2.gz YRRIMRSBHAPLPK-UHFFFAOYSA-N 0 3 315.461 3.108 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001700314212 1202233464 /nfs/dbraw/zinc/23/34/64/1202233464.db2.gz QYFOMZPTOSKAOI-QAPCUYQASA-N 0 3 315.461 3.215 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001753409529 1202243437 /nfs/dbraw/zinc/24/34/37/1202243437.db2.gz REMKVBXXZXXUQO-DNVCBOLYSA-N 0 3 300.446 3.398 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC(C)C ZINC001700348095 1202243547 /nfs/dbraw/zinc/24/35/47/1202243547.db2.gz GDYYRPFBBUEFMR-UYAOXDASSA-N 0 3 312.457 3.208 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001700348454 1202243834 /nfs/dbraw/zinc/24/38/34/1202243834.db2.gz STYGANAFJIHQDN-VBSBHUPXSA-N 0 3 324.468 3.064 20 30 DGEDHN C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC)CCCCC1 ZINC001753427743 1202250131 /nfs/dbraw/zinc/25/01/31/1202250131.db2.gz RMPQDPGNOCORPW-BZSNNMDCSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(CCF)C2)C1 ZINC001700363446 1202251146 /nfs/dbraw/zinc/25/11/46/1202251146.db2.gz ISHHMZMZYVKBPL-HZPDHXFCSA-N 0 3 310.457 3.119 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccccc1OC(C)C ZINC001700363541 1202251156 /nfs/dbraw/zinc/25/11/56/1202251156.db2.gz KNMURNLBIGIPKX-MRXNPFEDSA-N 0 3 316.445 3.196 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001753442412 1202255371 /nfs/dbraw/zinc/25/53/71/1202255371.db2.gz BZKHPWHEVJHARV-KRWDZBQOSA-N 0 3 300.446 3.240 20 30 DGEDHN Cc1ccccc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001700387254 1202258207 /nfs/dbraw/zinc/25/82/07/1202258207.db2.gz XUBPSFLTIYPYSB-QZTJIDSGSA-N 0 3 320.436 3.143 20 30 DGEDHN CC[C@H](CNC(=O)[C@@H]1CCC1(C)C)NCc1ccc(C#N)s1 ZINC001753482843 1202271231 /nfs/dbraw/zinc/27/12/31/1202271231.db2.gz HIFMCHSAZNPZAU-DOMZBBRYSA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001700441871 1202273596 /nfs/dbraw/zinc/27/35/96/1202273596.db2.gz YAEAEWGMFAPOEK-FICVDOATSA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001700441924 1202273718 /nfs/dbraw/zinc/27/37/18/1202273718.db2.gz YUUXDFNTWXLDHD-UHFFFAOYSA-N 0 3 314.901 3.495 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001700442919 1202273773 /nfs/dbraw/zinc/27/37/73/1202273773.db2.gz NESFLESVNFBHOP-ZDUSSCGKSA-N 0 3 302.890 3.495 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccsc1C ZINC001700441313 1202273816 /nfs/dbraw/zinc/27/38/16/1202273816.db2.gz NVCXPQHBPDFVBU-UHFFFAOYSA-N 0 3 314.882 3.497 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)c2ccc(C)o2)CCCC1 ZINC001753508935 1202278458 /nfs/dbraw/zinc/27/84/58/1202278458.db2.gz XQILNJSZUUVWQT-AWEZNQCLSA-N 0 3 324.852 3.463 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CC(C)(F)F)CCCC[C@@H]1C ZINC001753536016 1202285475 /nfs/dbraw/zinc/28/54/75/1202285475.db2.gz ONIHRPGNGWRVNT-NHYWBVRUSA-N 0 3 322.827 3.439 20 30 DGEDHN CCC1(C(=O)NC[C@H](C)N(C)Cc2cccc(C#N)c2)CCC1 ZINC001700471758 1202285959 /nfs/dbraw/zinc/28/59/59/1202285959.db2.gz VROAIVIFVAROOA-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@@H](C)CC(C)C)cc1 ZINC001753591599 1202294837 /nfs/dbraw/zinc/29/48/37/1202294837.db2.gz GGSCIBRNAOOBGQ-INIZCTEOSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@H](F)C2)CCCCC1 ZINC001700513345 1202300022 /nfs/dbraw/zinc/30/00/22/1202300022.db2.gz ZTUBVRFPGHOMKN-KBPBESRZSA-N 0 3 316.848 3.286 20 30 DGEDHN C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001700523248 1202303783 /nfs/dbraw/zinc/30/37/83/1202303783.db2.gz INZDYEXVNLNUGZ-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001700523248 1202303785 /nfs/dbraw/zinc/30/37/85/1202303785.db2.gz INZDYEXVNLNUGZ-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001700547907 1202311599 /nfs/dbraw/zinc/31/15/99/1202311599.db2.gz ZWNOFAVBTCVTIR-VQIMIIECSA-N 0 3 314.473 3.439 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001700551227 1202312003 /nfs/dbraw/zinc/31/20/03/1202312003.db2.gz RYEUGJITZUUTKQ-CHWSQXEVSA-N 0 3 322.399 3.081 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C/C=C\Cc2ccccc2)C(C)(C)C1 ZINC001700569125 1202315579 /nfs/dbraw/zinc/31/55/79/1202315579.db2.gz XITANVIXXRJDMV-ZBTAVZRMSA-N 0 3 324.468 3.025 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CC/C=C\c2ccccc2)C(C)(C)C1 ZINC001700574585 1202317009 /nfs/dbraw/zinc/31/70/09/1202317009.db2.gz QCYZSEIOCASRAL-PMTSLALWSA-N 0 3 324.468 3.330 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001700634116 1202325881 /nfs/dbraw/zinc/32/58/81/1202325881.db2.gz HOBLHZLJIBYQLP-CTYIDZIISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2cccnc2)CC(C)C)C1 ZINC001753741924 1202326529 /nfs/dbraw/zinc/32/65/29/1202326529.db2.gz HVQREFABCLCIFL-KRWDZBQOSA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001700645682 1202328414 /nfs/dbraw/zinc/32/84/14/1202328414.db2.gz KQJHLNNPFPNPFF-KBRIMQKVSA-N 0 3 320.864 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CCCNCc2cc(C)no2)CC1 ZINC001700671606 1202332100 /nfs/dbraw/zinc/33/21/00/1202332100.db2.gz APYZACIMSMHULX-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ncoc1C(C)C ZINC001700679729 1202333010 /nfs/dbraw/zinc/33/30/10/1202333010.db2.gz CVVCHBDSFKDVPD-GFCCVEGCSA-N 0 3 313.829 3.039 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cnc(C)s1 ZINC001753804174 1202336507 /nfs/dbraw/zinc/33/65/07/1202336507.db2.gz FOYGTWBWSCILOH-BBRMVZONSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H](C)C(F)(F)F)C(C)C ZINC001700973902 1202374181 /nfs/dbraw/zinc/37/41/81/1202374181.db2.gz SXVJGJSWDSNGKE-ZDUSSCGKSA-N 0 3 308.388 3.320 20 30 DGEDHN CC(C)CCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001700738078 1202345375 /nfs/dbraw/zinc/34/53/75/1202345375.db2.gz QTEARWDIKCWRMI-AWEZNQCLSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001700740724 1202346008 /nfs/dbraw/zinc/34/60/08/1202346008.db2.gz GVYPQMUGVQYKJB-HNNXBMFYSA-N 0 3 318.848 3.094 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001700845339 1202358163 /nfs/dbraw/zinc/35/81/63/1202358163.db2.gz ZCJSFEJABQNQSR-HOCLYGCPSA-N 0 3 323.440 3.001 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2cccc(F)c2F)[C@H]1C ZINC001700884861 1202365483 /nfs/dbraw/zinc/36/54/83/1202365483.db2.gz JMLOMFFJPBXLEG-CJNGLKHVSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNCc2nccs2)C1 ZINC001700891950 1202366846 /nfs/dbraw/zinc/36/68/46/1202366846.db2.gz NUMDRBWJBDVPAG-KBPBESRZSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(C(C)(C)C)cn1)C(C)C ZINC001700971259 1202372267 /nfs/dbraw/zinc/37/22/67/1202372267.db2.gz RUCHTWWORATWOQ-UHFFFAOYSA-N 0 3 317.477 3.348 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2cccnc21)C(C)C ZINC001700973814 1202373981 /nfs/dbraw/zinc/37/39/81/1202373981.db2.gz NKZNOZSFEXIISE-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C=CCN(C)CCN(C(=O)COc1ccccc1Cl)C(C)C ZINC001700976205 1202374938 /nfs/dbraw/zinc/37/49/38/1202374938.db2.gz KKKDOKNGXAXXRY-UHFFFAOYSA-N 0 3 324.852 3.074 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cnc(C)s1)C(C)(C)C ZINC001700988753 1202377213 /nfs/dbraw/zinc/37/72/13/1202377213.db2.gz STDCYZWWBLSMLB-OAHLLOKOSA-N 0 3 323.506 3.428 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001701008302 1202380348 /nfs/dbraw/zinc/38/03/48/1202380348.db2.gz HIUXUYINBBZMQE-QAPCUYQASA-N 0 3 322.468 3.145 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(C)CCCCC2)CC1 ZINC001701007269 1202380469 /nfs/dbraw/zinc/38/04/69/1202380469.db2.gz PYNGTPHVGSAVLD-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(C3CCC3)CCC2)CC1 ZINC001701013493 1202381316 /nfs/dbraw/zinc/38/13/16/1202381316.db2.gz MWUDJBHBUOGNEX-INIZCTEOSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C=C(/C)CC)CC[C@@H]1C(F)(F)F ZINC001701015277 1202381584 /nfs/dbraw/zinc/38/15/84/1202381584.db2.gz PRPXUMRMWZVHBP-MIWOTCCTSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC001701066438 1202386617 /nfs/dbraw/zinc/38/66/17/1202386617.db2.gz YUPHUYLGMQTHIK-VYDXJSESSA-N 0 3 316.420 3.154 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001707045600 1202568601 /nfs/dbraw/zinc/56/86/01/1202568601.db2.gz HVZAVQJXPCEPHL-MRXNPFEDSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cccc2ccccc21 ZINC001707055211 1202570445 /nfs/dbraw/zinc/57/04/45/1202570445.db2.gz RMQNCQOCDLSPSH-IBGZPJMESA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC=C)c1ccccc1 ZINC001707062167 1202571187 /nfs/dbraw/zinc/57/11/87/1202571187.db2.gz LECWPGMINPEHNE-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)c2ccccc2)C1 ZINC001707078297 1202571942 /nfs/dbraw/zinc/57/19/42/1202571942.db2.gz VNBQVBRMEFSIDF-JLJPHGGASA-N 0 3 320.864 3.417 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cnoc1C ZINC001707447760 1202585762 /nfs/dbraw/zinc/58/57/62/1202585762.db2.gz YIIQWRXUIGVTFJ-PBHICJAKSA-N 0 3 319.449 3.199 20 30 DGEDHN CC/C(C)=C\C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001707451273 1202585958 /nfs/dbraw/zinc/58/59/58/1202585958.db2.gz FDCXWKYJQDJCTN-ZCXUNETKSA-N 0 3 312.457 3.223 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1scnc1C ZINC001707458255 1202586375 /nfs/dbraw/zinc/58/63/75/1202586375.db2.gz FWOLHNHAFMPQNO-UHFFFAOYSA-N 0 3 323.506 3.382 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC001713060093 1202613828 /nfs/dbraw/zinc/61/38/28/1202613828.db2.gz ZOORJEFUPJKPAI-OAHLLOKOSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001713085350 1202615400 /nfs/dbraw/zinc/61/54/00/1202615400.db2.gz KKJBFWAOSAENMI-CQSZACIVSA-N 0 3 322.474 3.307 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001713085390 1202615491 /nfs/dbraw/zinc/61/54/91/1202615491.db2.gz MERBQNWBJJEKGY-KRWDZBQOSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cncs2)CC1 ZINC001713099756 1202617091 /nfs/dbraw/zinc/61/70/91/1202617091.db2.gz BQTVDRXHNDYTMY-UHFFFAOYSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccc(C)cc2)CC1 ZINC001713101215 1202617282 /nfs/dbraw/zinc/61/72/82/1202617282.db2.gz PFSCZXAPUMQCJF-UHFFFAOYSA-N 0 3 314.473 3.427 20 30 DGEDHN CCC(=CC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1)CC ZINC001713106822 1202617880 /nfs/dbraw/zinc/61/78/80/1202617880.db2.gz HWCHLIHUWYHLNM-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](CN(C)C[C@@H](F)CC)C1 ZINC001713129727 1202620272 /nfs/dbraw/zinc/62/02/72/1202620272.db2.gz UYMJEPRKMPDGOB-IRXDYDNUSA-N 0 3 310.457 3.099 20 30 DGEDHN C[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001713166105 1202623498 /nfs/dbraw/zinc/62/34/98/1202623498.db2.gz IXUBWLPGIPXXEP-RNQOJCNYSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCCC)C1 ZINC001713184378 1202624880 /nfs/dbraw/zinc/62/48/80/1202624880.db2.gz GRQAUCYWQCJNLW-ZWKOTPCHSA-N 0 3 304.478 3.293 20 30 DGEDHN C[C@H](N[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)C1)c1ccccc1F ZINC001713192794 1202625695 /nfs/dbraw/zinc/62/56/95/1202625695.db2.gz YJLZTPNJRYOQJM-SOUVJXGZSA-N 0 3 316.420 3.173 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CC/C=C/c2ccccc2)C1 ZINC001713219714 1202628602 /nfs/dbraw/zinc/62/86/02/1202628602.db2.gz VPGKGINCNSLKGE-BESKYLIDSA-N 0 3 324.468 3.332 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001713223103 1202628828 /nfs/dbraw/zinc/62/88/28/1202628828.db2.gz RXHYNVBYERZOKO-AZUAARDMSA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001713254723 1202631810 /nfs/dbraw/zinc/63/18/10/1202631810.db2.gz XESINZZPALUXME-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001713258729 1202632592 /nfs/dbraw/zinc/63/25/92/1202632592.db2.gz DDOUBZBGRILKKH-GOSISDBHSA-N 0 3 324.468 3.021 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001713279800 1202634997 /nfs/dbraw/zinc/63/49/97/1202634997.db2.gz UREOYXZOTDLSIQ-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN CC[C@@H](N[C@@H](C)CNC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001713308840 1202638165 /nfs/dbraw/zinc/63/81/65/1202638165.db2.gz PWDIDFUNXTVUIM-SUMWQHHRSA-N 0 3 322.399 3.170 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1csc(Cl)c1 ZINC001713419072 1202647683 /nfs/dbraw/zinc/64/76/83/1202647683.db2.gz RQPZENYOSVMUKT-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(CCC)s2)C1 ZINC001713391691 1202644399 /nfs/dbraw/zinc/64/43/99/1202644399.db2.gz JDBKEXXWRSLGHZ-HNNXBMFYSA-N 0 3 318.486 3.260 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001713419145 1202647686 /nfs/dbraw/zinc/64/76/86/1202647686.db2.gz UNSLXFSTGGOOJW-PBHICJAKSA-N 0 3 320.864 3.028 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1csc(Cl)c1 ZINC001713419073 1202647738 /nfs/dbraw/zinc/64/77/38/1202647738.db2.gz RQPZENYOSVMUKT-VIFPVBQESA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2cccc(F)c2o1 ZINC001713422745 1202648188 /nfs/dbraw/zinc/64/81/88/1202648188.db2.gz XUNXHAKXTSBNMI-LLVKDONJSA-N 0 3 324.783 3.422 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)/C=C(\C)C1CC1 ZINC001713426820 1202648746 /nfs/dbraw/zinc/64/87/46/1202648746.db2.gz RQYULSCGXOAWAN-SICOMBFOSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001713462764 1202653272 /nfs/dbraw/zinc/65/32/72/1202653272.db2.gz DTMIBTKRTVUWHA-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001713463145 1202653416 /nfs/dbraw/zinc/65/34/16/1202653416.db2.gz RJVAHBCFSLWRNU-UHFFFAOYSA-N 0 3 314.473 3.326 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001713468067 1202654612 /nfs/dbraw/zinc/65/46/12/1202654612.db2.gz KWACMBKCNMYNSU-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C#CCC1(C(=O)NCCN(CC)CC=C(C)C)CCCCC1 ZINC001713498209 1202660753 /nfs/dbraw/zinc/66/07/53/1202660753.db2.gz MENLWRUBQFDBGH-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc2cccc(Cl)c2o1 ZINC001713552965 1202669584 /nfs/dbraw/zinc/66/95/84/1202669584.db2.gz FUTJRHGQDGLBKK-UHFFFAOYSA-N 0 3 318.804 3.161 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCN(CC1=CCCCC1)C1CC1 ZINC001713556751 1202670154 /nfs/dbraw/zinc/67/01/54/1202670154.db2.gz ZBBFYFBBAHRGHN-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(C(C)(C)C)oc1C)C1CC1 ZINC001713562591 1202670968 /nfs/dbraw/zinc/67/09/68/1202670968.db2.gz FOGHAPLQKGCDCM-UHFFFAOYSA-N 0 3 304.434 3.266 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC001713565435 1202671483 /nfs/dbraw/zinc/67/14/83/1202671483.db2.gz LZEPKJXOSKJWND-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN(CCNC(=O)[C@H](C)Cc1cccc(Cl)c1)C1CC1 ZINC001713566482 1202671878 /nfs/dbraw/zinc/67/18/78/1202671878.db2.gz ZIGGVWMYOLBQLT-CQSZACIVSA-N 0 3 320.864 3.285 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(C)CCCCC1)c1ccccc1 ZINC001713700085 1202678677 /nfs/dbraw/zinc/67/86/77/1202678677.db2.gz ANYROVBFZABRMH-SFHVURJKSA-N 0 3 312.457 3.427 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC001713703010 1202678864 /nfs/dbraw/zinc/67/88/64/1202678864.db2.gz UJRKAWNARMNKJT-IEBWSBKVSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccoc1CCC)c1ccccc1 ZINC001713705057 1202679161 /nfs/dbraw/zinc/67/91/61/1202679161.db2.gz QOOCOIDUBZWCIQ-KRWDZBQOSA-N 0 3 312.413 3.479 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001713759386 1202687145 /nfs/dbraw/zinc/68/71/45/1202687145.db2.gz ZYXLJPRPJPBZAD-ZDUSSCGKSA-N 0 3 320.399 3.321 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC001713776858 1202689162 /nfs/dbraw/zinc/68/91/62/1202689162.db2.gz VHWBPWMZEVUQCH-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001713849493 1202695589 /nfs/dbraw/zinc/69/55/89/1202695589.db2.gz HNEPZGLEZBMGRW-LSDHHAIUSA-N 0 3 310.457 3.308 20 30 DGEDHN O=C(CC1CCCC1)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001713859286 1202696595 /nfs/dbraw/zinc/69/65/95/1202696595.db2.gz BWVVJZSYMUMQLZ-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001713910813 1202701423 /nfs/dbraw/zinc/70/14/23/1202701423.db2.gz QWZXAMRUBNJKSF-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCOC ZINC001713912678 1202701636 /nfs/dbraw/zinc/70/16/36/1202701636.db2.gz GPYJGEIXYREIMU-XLAORIBOSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN([C@H]3CCc4ccccc43)C2)C1 ZINC001713917227 1202702026 /nfs/dbraw/zinc/70/20/26/1202702026.db2.gz IAHMLYSAERISMK-SFHVURJKSA-N 0 3 310.441 3.078 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1C ZINC001713931910 1202703143 /nfs/dbraw/zinc/70/31/43/1202703143.db2.gz QIUDYDXALLZGHF-SNPRPXQTSA-N 0 3 304.459 3.310 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C/C=C\Cc2ccccc2)C1 ZINC001714035140 1202742019 /nfs/dbraw/zinc/74/20/19/1202742019.db2.gz HJJDIECFYXAOHO-AQWUKCDYSA-N 0 3 324.468 3.027 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001714048879 1202751896 /nfs/dbraw/zinc/75/18/96/1202751896.db2.gz RXLDYBUGDPCJLX-GOSISDBHSA-N 0 3 318.505 3.444 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)c2ccccc2)C1 ZINC001714050274 1202752386 /nfs/dbraw/zinc/75/23/86/1202752386.db2.gz PFXPGAPHWGGTRG-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN CC[C@H](CNC(=O)[C@H](C)C(C)(C)C)NCC#Cc1ccccc1 ZINC001714083104 1202766213 /nfs/dbraw/zinc/76/62/13/1202766213.db2.gz WMDKGUSISQJVRC-FUHWJXTLSA-N 0 3 314.473 3.205 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](CC)NCc1ccccc1F ZINC001714098249 1202774109 /nfs/dbraw/zinc/77/41/09/1202774109.db2.gz HHXKJTCTCYJOHG-MRXNPFEDSA-N 0 3 304.409 3.004 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H]1CCCC1(F)F ZINC001714110752 1202781359 /nfs/dbraw/zinc/78/13/59/1202781359.db2.gz KQMPTXLQAZCEBB-CABCVRRESA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H]1CCCC1(F)F ZINC001714110754 1202782117 /nfs/dbraw/zinc/78/21/17/1202782117.db2.gz KQMPTXLQAZCEBB-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN CC/C(C)=C\C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001714132733 1202795154 /nfs/dbraw/zinc/79/51/54/1202795154.db2.gz CFIZGXORYBNJFI-VLGSPTGOSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001714155382 1202808528 /nfs/dbraw/zinc/80/85/28/1202808528.db2.gz HGEFHEWZNHFTMC-SJORKVTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCCCC(=O)NC1CCC(NCc2nc(C)cs2)CC1 ZINC001714194461 1202826251 /nfs/dbraw/zinc/82/62/51/1202826251.db2.gz KZRTVRIZKLGKBR-UHFFFAOYSA-N 0 3 321.490 3.325 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001714215822 1202836053 /nfs/dbraw/zinc/83/60/53/1202836053.db2.gz XFCHOJQFCWRHLY-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN CCCC1(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001714264873 1202853174 /nfs/dbraw/zinc/85/31/74/1202853174.db2.gz PDKVUZPPZQLAFT-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001714390666 1202908881 /nfs/dbraw/zinc/90/88/81/1202908881.db2.gz KHPZGIUEQWAKHY-ZWKOTPCHSA-N 0 3 313.445 3.265 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1ncc(C)s1 ZINC001714486370 1202958107 /nfs/dbraw/zinc/95/81/07/1202958107.db2.gz JHGPEQXHYPBHHP-LRDDRELGSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001714501390 1202965612 /nfs/dbraw/zinc/96/56/12/1202965612.db2.gz FGRQXIWADZHXAL-OAHLLOKOSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001714502164 1202965631 /nfs/dbraw/zinc/96/56/31/1202965631.db2.gz FYMFEGVBQUZPFJ-KRWDZBQOSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCCCC(=O)NCCN(C)Cc1cc2ccccc2s1 ZINC001714536311 1202985019 /nfs/dbraw/zinc/98/50/19/1202985019.db2.gz LSFLWESRLUGBSQ-UHFFFAOYSA-N 0 3 314.454 3.253 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)CCc1ccccc1F ZINC001714559904 1203003356 /nfs/dbraw/zinc/00/33/56/1203003356.db2.gz FFBFXDIGQYTNHO-HNNXBMFYSA-N 0 3 306.425 3.019 20 30 DGEDHN C=CCCCCCN1CCC[C@H]1CNC(=O)c1scnc1C ZINC001714610382 1203047672 /nfs/dbraw/zinc/04/76/72/1203047672.db2.gz XDEZVMYHYUTHET-HNNXBMFYSA-N 0 3 321.490 3.392 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001714623514 1203057889 /nfs/dbraw/zinc/05/78/89/1203057889.db2.gz OFWIOMFEDXCRHJ-YXOSVLIBSA-N 0 3 316.489 3.215 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C(CC(C)C)CC(C)C)C1 ZINC001714648973 1203074289 /nfs/dbraw/zinc/07/42/89/1203074289.db2.gz IKNQPZZMYDFXRD-QGZVFWFLSA-N 0 3 306.494 3.156 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001714654410 1203078295 /nfs/dbraw/zinc/07/82/95/1203078295.db2.gz RFWPLQKHEWCMHS-RTBURBONSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccc(C)s1)c1ccccc1 ZINC001714840383 1203147673 /nfs/dbraw/zinc/14/76/73/1203147673.db2.gz LJXLSUXQMBGYKE-KRWDZBQOSA-N 0 3 314.454 3.232 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NC[C@@H](C)OC)c1ccccc1 ZINC001714839898 1203147750 /nfs/dbraw/zinc/14/77/50/1203147750.db2.gz TWESOMLTBYBFOK-WBVHZDCISA-N 0 3 318.461 3.071 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC001714849124 1203151167 /nfs/dbraw/zinc/15/11/67/1203151167.db2.gz PIQNKYIAQWYRAQ-FQEVSTJZSA-N 0 3 320.436 3.387 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccoc2C2CC2)C1 ZINC001714864272 1203162371 /nfs/dbraw/zinc/16/23/71/1203162371.db2.gz FCKPDMFPGORHCG-INIZCTEOSA-N 0 3 314.429 3.107 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001714872980 1203168615 /nfs/dbraw/zinc/16/86/15/1203168615.db2.gz PATRWSCSTQALLF-ZIAGYGMSSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001714872978 1203169461 /nfs/dbraw/zinc/16/94/61/1203169461.db2.gz PATRWSCSTQALLF-KGLIPLIRSA-N 0 3 302.409 3.167 20 30 DGEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)C(C)C)C1 ZINC001714906316 1203190777 /nfs/dbraw/zinc/19/07/77/1203190777.db2.gz OVWYUUTXTJSKES-IBGZPJMESA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CC=C)CCC1 ZINC001714992405 1203227970 /nfs/dbraw/zinc/22/79/70/1203227970.db2.gz SDAGFGVGBAJOOO-ULQDDVLXSA-N 0 3 302.462 3.373 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)CCCCC1 ZINC001714990959 1203228641 /nfs/dbraw/zinc/22/86/41/1203228641.db2.gz DEEIYVMEAZEKTK-IRXDYDNUSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)CC1 ZINC001714991072 1203229008 /nfs/dbraw/zinc/22/90/08/1203229008.db2.gz XNYOVTOVYJKAEP-ROUUACIJSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2nc(C)sc2C)[C@@H](C)C1 ZINC001714996354 1203230078 /nfs/dbraw/zinc/23/00/78/1203230078.db2.gz FSOPGXJRTZGVSX-WFASDCNBSA-N 0 3 321.490 3.053 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001715004787 1203233354 /nfs/dbraw/zinc/23/33/54/1203233354.db2.gz YJXVLQHYASYOEC-QGZVFWFLSA-N 0 3 311.429 3.215 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](CC)CC2CCCC2)C1 ZINC001715023173 1203241593 /nfs/dbraw/zinc/24/15/93/1203241593.db2.gz FKVJUAJKVVJLLB-MSOLQXFVSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)CC2=CCCCC2)C1 ZINC001715039411 1203249604 /nfs/dbraw/zinc/24/96/04/1203249604.db2.gz OCHCYUKTMOFMGN-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001715112845 1203276303 /nfs/dbraw/zinc/27/63/03/1203276303.db2.gz LDYKIXNMSCUGIT-KRWDZBQOSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 ZINC001715195457 1203293373 /nfs/dbraw/zinc/29/33/73/1203293373.db2.gz DGLOTNBTWFGOKK-ICSRJNTNSA-N 0 3 312.457 3.098 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)[nH]c2C)CCCC1 ZINC001715305798 1203311101 /nfs/dbraw/zinc/31/11/01/1203311101.db2.gz GOXMLBZZRMYIPX-UHFFFAOYSA-N 0 3 309.841 3.016 20 30 DGEDHN CCC(CC)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001715322146 1203315972 /nfs/dbraw/zinc/31/59/72/1203315972.db2.gz LNBVVEWUXRVHQO-HNNXBMFYSA-N 0 3 318.436 3.050 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001715338930 1203318765 /nfs/dbraw/zinc/31/87/65/1203318765.db2.gz YYJOIGAGEVBYQY-MSOLQXFVSA-N 0 3 314.473 3.301 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CCCC1CC1 ZINC001715350291 1203321414 /nfs/dbraw/zinc/32/14/14/1203321414.db2.gz ARTBSMRYVBKXBS-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CCC1(C)CC1 ZINC001715368394 1203326472 /nfs/dbraw/zinc/32/64/72/1203326472.db2.gz UZXYQSCAXHOZOP-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2ccns2)CC(C)C)C1 ZINC001715387831 1203331703 /nfs/dbraw/zinc/33/17/03/1203331703.db2.gz GTOXPALMYJRYSR-CQSZACIVSA-N 0 3 321.490 3.120 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001715521454 1203359837 /nfs/dbraw/zinc/35/98/37/1203359837.db2.gz SUTMNRSBABLTLS-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCNCc1c(F)cccc1Cl ZINC001715642938 1203377135 /nfs/dbraw/zinc/37/71/35/1203377135.db2.gz WWGHDLVWFCDAAT-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(Cl)cs1)C(C)C ZINC001715663794 1203378782 /nfs/dbraw/zinc/37/87/82/1203378782.db2.gz VLBABILTZFRJDZ-LLVKDONJSA-N 0 3 321.273 3.498 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CN[C@H](C)c1cccc(Cl)c1 ZINC001715813281 1203395281 /nfs/dbraw/zinc/39/52/81/1203395281.db2.gz WXYYWQYKUOSOMX-LQYUOIDQSA-N 0 3 318.848 3.467 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001715826413 1203396185 /nfs/dbraw/zinc/39/61/85/1203396185.db2.gz LULGHRBIGIXCLO-PQGRKCCXSA-N 0 3 304.478 3.124 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001715888082 1203401421 /nfs/dbraw/zinc/40/14/21/1203401421.db2.gz GKNYDUQDRYEXLG-DKLOGILVSA-N 0 3 313.445 3.002 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CNCc1ccc(C)cc1Cl ZINC001715925142 1203404894 /nfs/dbraw/zinc/40/48/94/1203404894.db2.gz BQHOICAWZIJLEM-CQSZACIVSA-N 0 3 306.837 3.046 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001715925136 1203405006 /nfs/dbraw/zinc/40/50/06/1203405006.db2.gz BPHSJGRYJBKODC-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC1(C)CCCC1 ZINC001715928546 1203405518 /nfs/dbraw/zinc/40/55/18/1203405518.db2.gz RDZOWYIIDXOJTH-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1cc(Cl)ccc1OC ZINC001715943907 1203408445 /nfs/dbraw/zinc/40/84/45/1203408445.db2.gz SVBHHEXKPPTACN-GFCCVEGCSA-N 0 3 324.852 3.155 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001715992436 1203417410 /nfs/dbraw/zinc/41/74/10/1203417410.db2.gz IFCGGQOVTTYMGA-KSSFIOAISA-N 0 3 306.425 3.331 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001716011961 1203421872 /nfs/dbraw/zinc/42/18/72/1203421872.db2.gz FQXGTIDURWJMGL-KRWDZBQOSA-N 0 3 300.446 3.073 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001716018936 1203424466 /nfs/dbraw/zinc/42/44/66/1203424466.db2.gz BRNYOIPUWCJMRX-CABCVRRESA-N 0 3 306.425 3.017 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001716027578 1203427782 /nfs/dbraw/zinc/42/77/82/1203427782.db2.gz LOBYZSBNDPFXAZ-KDOFPFPSSA-N 0 3 316.420 3.053 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ncc(C)s1 ZINC001716067835 1203438367 /nfs/dbraw/zinc/43/83/67/1203438367.db2.gz RVORNRCLHMUXHO-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H]1CCc2ccccc21 ZINC001716182264 1203447005 /nfs/dbraw/zinc/44/70/05/1203447005.db2.gz BPXFXGNUDATXNF-HOCLYGCPSA-N 0 3 320.864 3.343 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001716435582 1203473633 /nfs/dbraw/zinc/47/36/33/1203473633.db2.gz PCQUDEWPHWIJPN-CVEARBPZSA-N 0 3 318.436 3.098 20 30 DGEDHN C[C@H](CN(C)[C@H](C)c1ccc(F)cc1)NC(=O)C#CC(C)(C)C ZINC001716477989 1203484307 /nfs/dbraw/zinc/48/43/07/1203484307.db2.gz NBVLXRZLWSAXCM-HUUCEWRRSA-N 0 3 318.436 3.373 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001716489713 1203488504 /nfs/dbraw/zinc/48/85/04/1203488504.db2.gz OLBNMNKRJICALH-QSOAKEGCSA-N 0 3 300.446 3.349 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001716503479 1203495043 /nfs/dbraw/zinc/49/50/43/1203495043.db2.gz QTMFGNCXSHYEFE-ISOUWHGUSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNCc1cscn1 ZINC001716514113 1203498087 /nfs/dbraw/zinc/49/80/87/1203498087.db2.gz KRCKEIJDQFSJBF-HOCLYGCPSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1ocnc1C ZINC001716517937 1203498450 /nfs/dbraw/zinc/49/84/50/1203498450.db2.gz IZHKWMQCUQGIOS-HZPDHXFCSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001716586899 1203504315 /nfs/dbraw/zinc/50/43/15/1203504315.db2.gz KBDMIXJFCVENSN-UHFFFAOYSA-N 0 3 320.864 3.288 20 30 DGEDHN CC#CCCCC(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001716619829 1203507697 /nfs/dbraw/zinc/50/76/97/1203507697.db2.gz XOPPQYZZBNHVFE-GOSISDBHSA-N 0 3 316.420 3.004 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001716651833 1203513485 /nfs/dbraw/zinc/51/34/85/1203513485.db2.gz FNUKERWFUKJIQI-INIZCTEOSA-N 0 3 318.848 3.138 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001716652008 1203513505 /nfs/dbraw/zinc/51/35/05/1203513505.db2.gz GWAZUMNKZIUKDS-LSDHHAIUSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001716661798 1203517258 /nfs/dbraw/zinc/51/72/58/1203517258.db2.gz TXLNASKBQDKPGX-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001716662433 1203518257 /nfs/dbraw/zinc/51/82/57/1203518257.db2.gz HKPLGSCNPVSQMH-DOTOQJQBSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001716664037 1203518710 /nfs/dbraw/zinc/51/87/10/1203518710.db2.gz KCIYCJRZHYHEOW-GDBMZVCRSA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H]1CCCc2ccccc21 ZINC001716669451 1203520986 /nfs/dbraw/zinc/52/09/86/1203520986.db2.gz PDJKUFCLBSIEOX-MSOLQXFVSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001716683360 1203524583 /nfs/dbraw/zinc/52/45/83/1203524583.db2.gz AVDLXQZZYNNZBE-UHFFFAOYSA-N 0 3 304.409 3.251 20 30 DGEDHN C[C@]1(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)CC=CCC1 ZINC001716683798 1203524644 /nfs/dbraw/zinc/52/46/44/1203524644.db2.gz QMBGRLAOMXLZEM-IBGZPJMESA-N 0 3 323.440 3.043 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001716689618 1203525360 /nfs/dbraw/zinc/52/53/60/1203525360.db2.gz DIVAWJUBTUSPIJ-CYBMUJFWSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCCCC(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001716692319 1203526035 /nfs/dbraw/zinc/52/60/35/1203526035.db2.gz PXJKDVNPGNBYCI-KRWDZBQOSA-N 0 3 316.420 3.408 20 30 DGEDHN CC#CCNC1(CNC(=O)C(CC)(CC)c2ccccc2)CC1 ZINC001716700957 1203528219 /nfs/dbraw/zinc/52/82/19/1203528219.db2.gz SPQBABOETFRRQY-UHFFFAOYSA-N 0 3 312.457 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCC2(C)CC2)C1 ZINC001716705665 1203529103 /nfs/dbraw/zinc/52/91/03/1203529103.db2.gz DNRMFKDSJUPTPP-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CC(CC)CC)C2)CC1 ZINC001716728289 1203533077 /nfs/dbraw/zinc/53/30/77/1203533077.db2.gz QRCJUCZXRNIZPM-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2nccs2)C[C@H]1C ZINC001716762220 1203539744 /nfs/dbraw/zinc/53/97/44/1203539744.db2.gz VUBSFGJZQKYEEU-KGLIPLIRSA-N 0 3 321.490 3.215 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CNC[C@H](F)CC)CCCC1 ZINC001716791672 1203543471 /nfs/dbraw/zinc/54/34/71/1203543471.db2.gz NQDRLYPKNVFIRF-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C1CCN(CC(=C)C)CC1 ZINC001716806770 1203545416 /nfs/dbraw/zinc/54/54/16/1203545416.db2.gz IMUHNNTWZCOYDD-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CCCC1)C1CCC1 ZINC001716813539 1203546613 /nfs/dbraw/zinc/54/66/13/1203546613.db2.gz KAGBONCUROXULG-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2ccsc2)C1 ZINC001716900303 1203566036 /nfs/dbraw/zinc/56/60/36/1203566036.db2.gz XELHODGJIJDCCW-QAPCUYQASA-N 0 3 318.486 3.093 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C(C)(C)F)c1ccccc1CC ZINC001716953046 1203568924 /nfs/dbraw/zinc/56/89/24/1203568924.db2.gz SIXIISSMBLIBSI-INIZCTEOSA-N 0 3 306.425 3.320 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(CCNCC#CC)Cc1ccccc1 ZINC001717005563 1203576266 /nfs/dbraw/zinc/57/62/66/1203576266.db2.gz FWHCDJPWRMFOMY-PDGQHHTCSA-N 0 3 310.441 3.151 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(CCNCC#CC)Cc1ccccc1 ZINC001717005562 1203576399 /nfs/dbraw/zinc/57/63/99/1203576399.db2.gz FWHCDJPWRMFOMY-LDADJPATSA-N 0 3 310.441 3.151 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001717006648 1203576770 /nfs/dbraw/zinc/57/67/70/1203576770.db2.gz XVBKDUZDZVXFPP-UAPYVXQJSA-N 0 3 312.457 3.064 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CC(F)(F)F ZINC001717038850 1203580639 /nfs/dbraw/zinc/58/06/39/1203580639.db2.gz RBGHRWRVTXKOQG-MGPQQGTHSA-N 0 3 318.383 3.216 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001717105643 1203584866 /nfs/dbraw/zinc/58/48/66/1203584866.db2.gz XVKRLSICAFZNIB-CQSZACIVSA-N 0 3 316.848 3.240 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1(C(F)F)CC1 ZINC001717112748 1203586280 /nfs/dbraw/zinc/58/62/80/1203586280.db2.gz NHDDEYVNSYJICJ-UHFFFAOYSA-N 0 3 322.399 3.356 20 30 DGEDHN CC#CCNC1(CNC(=O)C2(c3ccc(C)cc3)CCC2)CCC1 ZINC001717163446 1203594374 /nfs/dbraw/zinc/59/43/74/1203594374.db2.gz YEBPIQPVNYAOGW-UHFFFAOYSA-N 0 3 324.468 3.069 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3c(cccc3C)o2)CCC1 ZINC001717162826 1203594518 /nfs/dbraw/zinc/59/45/18/1203594518.db2.gz JLOHCVOZNBYZNF-UHFFFAOYSA-N 0 3 310.397 3.007 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC001717215291 1203605582 /nfs/dbraw/zinc/60/55/82/1203605582.db2.gz FFELNMGBGSWRKR-CLFYSBASSA-N 0 3 312.457 3.202 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001717247555 1203610169 /nfs/dbraw/zinc/61/01/69/1203610169.db2.gz KAOKYWDCTVSBKI-SJLPKXTDSA-N 0 3 310.457 3.405 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001717327208 1203618179 /nfs/dbraw/zinc/61/81/79/1203618179.db2.gz GKWNRUCMKOONNQ-RHSMWYFYSA-N 0 3 318.486 3.329 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001717360710 1203625145 /nfs/dbraw/zinc/62/51/45/1203625145.db2.gz LZCXUMPSWFULCQ-IEBWSBKVSA-N 0 3 312.457 3.371 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)CC ZINC001717361429 1203625391 /nfs/dbraw/zinc/62/53/91/1203625391.db2.gz RJKPNBVCHBNCLB-IAGOWNOFSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)c1ccccc1 ZINC001717376639 1203631264 /nfs/dbraw/zinc/63/12/64/1203631264.db2.gz VFHGTSVGKHZISR-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001717391193 1203633950 /nfs/dbraw/zinc/63/39/50/1203633950.db2.gz GBBSYWCAZLKOIN-IYXRBSQSSA-N 0 3 324.827 3.166 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397867 1203635660 /nfs/dbraw/zinc/63/56/60/1203635660.db2.gz XOGYLUYFTREPKH-CABCVRRESA-N 0 3 320.864 3.220 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397868 1203635788 /nfs/dbraw/zinc/63/57/88/1203635788.db2.gz XOGYLUYFTREPKH-GJZGRUSLSA-N 0 3 320.864 3.220 20 30 DGEDHN C[C@@H](NC(=O)C12CCC(CC1)C2)[C@H](C)NCC#Cc1ccccc1 ZINC001717414217 1203639378 /nfs/dbraw/zinc/63/93/78/1203639378.db2.gz CHZIWUHDNXBSAL-JPPFFPKXSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2cc(C)ccc2F)C1 ZINC001717434976 1203643562 /nfs/dbraw/zinc/64/35/62/1203643562.db2.gz AHNYPSLZKOMDBZ-GJZGRUSLSA-N 0 3 318.436 3.473 20 30 DGEDHN CCCCCC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001717462133 1203650321 /nfs/dbraw/zinc/65/03/21/1203650321.db2.gz DCDLUJAJVBYJPX-HNNXBMFYSA-N 0 3 301.434 3.075 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)CCc1ccccc1F ZINC001717487246 1203661454 /nfs/dbraw/zinc/66/14/54/1203661454.db2.gz QCBBCNGPCOUOER-KXBFYZLASA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001717501634 1203667757 /nfs/dbraw/zinc/66/77/57/1203667757.db2.gz QUYNAKJXLHWVPD-UONOGXRCSA-N 0 3 308.853 3.141 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCc2ccco2)CCCCC1 ZINC001717521077 1203670749 /nfs/dbraw/zinc/67/07/49/1203670749.db2.gz LRYOJKTXJHXBRB-UHFFFAOYSA-N 0 3 324.852 3.373 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CC/C=C/c2ccccc2)C1 ZINC001717557690 1203681294 /nfs/dbraw/zinc/68/12/94/1203681294.db2.gz YDAFGSJLNKFAEX-VDZSZVPASA-N 0 3 312.457 3.493 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CN([C@H](C)c2ccccc2)CC1(C)C ZINC001717580674 1203685349 /nfs/dbraw/zinc/68/53/49/1203685349.db2.gz YKFVXSSAWRJRJY-AEFFLSMTSA-N 0 3 312.457 3.234 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1scnc1Cl ZINC001717695485 1203699793 /nfs/dbraw/zinc/69/97/93/1203699793.db2.gz IEYCUIKADWGCIM-SECBINFHSA-N 0 3 322.261 3.037 20 30 DGEDHN C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)C(C)C ZINC001717706957 1203703255 /nfs/dbraw/zinc/70/32/55/1203703255.db2.gz ZXSRFFGFTXHZSK-UHFFFAOYSA-N 0 3 308.853 3.403 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001717744471 1203708650 /nfs/dbraw/zinc/70/86/50/1203708650.db2.gz BOHOXKVBIRHRRP-AWEZNQCLSA-N 0 3 320.864 3.077 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@H]1C ZINC001717814487 1203715593 /nfs/dbraw/zinc/71/55/93/1203715593.db2.gz YONNIMVQISLWCM-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1csc(C(C)(C)C)n1)C(C)C ZINC001717950973 1203733790 /nfs/dbraw/zinc/73/37/90/1203733790.db2.gz BMGKKVIBZTXWBM-UHFFFAOYSA-N 0 3 323.506 3.409 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(OCC)cc1)C(C)C ZINC001717951724 1203734191 /nfs/dbraw/zinc/73/41/91/1203734191.db2.gz FJRUOIBHLMXBMP-UHFFFAOYSA-N 0 3 318.461 3.444 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cc(C)ns1)C(C)(C)C ZINC001717960713 1203736308 /nfs/dbraw/zinc/73/63/08/1203736308.db2.gz SVRAALWBKIBHLG-OAHLLOKOSA-N 0 3 323.506 3.428 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CCN(Cc2cccnc2C)CC1 ZINC001717977666 1203739018 /nfs/dbraw/zinc/73/90/18/1203739018.db2.gz MOBYSMVECSILMJ-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCCCC)CC[C@@H]1C(F)(F)F ZINC001717986562 1203740596 /nfs/dbraw/zinc/74/05/96/1203740596.db2.gz JXNWDEXEIUKHHL-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H](C)c2ccco2)C1 ZINC001717999183 1203742173 /nfs/dbraw/zinc/74/21/73/1203742173.db2.gz WHRXJJQRNGQKIP-XGNXJENSSA-N 0 3 310.825 3.105 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC3CCCCC3)CC2)CC1 ZINC001718002173 1203742597 /nfs/dbraw/zinc/74/25/97/1203742597.db2.gz KDXMYUQCEKFVMY-UHFFFAOYSA-N 0 3 316.489 3.341 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc(C(C)C)s1 ZINC001723223917 1203960395 /nfs/dbraw/zinc/96/03/95/1203960395.db2.gz UHUJAOSGIJHWHU-UHFFFAOYSA-N 0 3 315.870 3.071 20 30 DGEDHN CCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1ccccc1C#N ZINC001722925293 1203952365 /nfs/dbraw/zinc/95/23/65/1203952365.db2.gz BYWBSUFUQQJPGY-QZTJIDSGSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001723473765 1203977442 /nfs/dbraw/zinc/97/74/42/1203977442.db2.gz SYRQUDQCGJKCLU-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCN1CCC)c1ccccc1 ZINC001723483004 1203977888 /nfs/dbraw/zinc/97/78/88/1203977888.db2.gz NKPKERNTKPBXNP-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001723561415 1203982681 /nfs/dbraw/zinc/98/26/81/1203982681.db2.gz ZVMISQXPIOAVDY-UHFFFAOYSA-N 0 3 306.475 3.397 20 30 DGEDHN CC[C@@H](C)CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001723571116 1203983510 /nfs/dbraw/zinc/98/35/10/1203983510.db2.gz ZEJKXTRBHJNDLV-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC ZINC001723656528 1203987443 /nfs/dbraw/zinc/98/74/43/1203987443.db2.gz ILHDCSFHYLNWSR-XDNAFOTISA-N 0 3 322.493 3.079 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(CC(C)C)CCC3)C2)C1 ZINC001723678983 1203988424 /nfs/dbraw/zinc/98/84/24/1203988424.db2.gz HOTJWUJCFAHURZ-IBGZPJMESA-N 0 3 316.489 3.151 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001723766160 1203992200 /nfs/dbraw/zinc/99/22/00/1203992200.db2.gz RFKSPCBNKCGMCH-OWCLPIDISA-N 0 3 304.478 3.168 20 30 DGEDHN C=CCCCCCN1CC[C@@](C)(NC(=O)c2ccns2)C1 ZINC001724154938 1204010160 /nfs/dbraw/zinc/01/01/60/1204010160.db2.gz WEHCRRIGFRSXDE-MRXNPFEDSA-N 0 3 307.463 3.084 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)CCC2CCCCC2)C1 ZINC001724182627 1204012262 /nfs/dbraw/zinc/01/22/62/1204012262.db2.gz CXPCWSGWRRKRME-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccoc2CCC)C1 ZINC001724341991 1204023976 /nfs/dbraw/zinc/02/39/76/1204023976.db2.gz CEJZSJIUZSIHCR-SFHVURJKSA-N 0 3 304.434 3.250 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1(CF)CCC1 ZINC001724739074 1204041740 /nfs/dbraw/zinc/04/17/40/1204041740.db2.gz VHFIKRVAUYRNTG-UHFFFAOYSA-N 0 3 318.436 3.451 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC001724745165 1204042662 /nfs/dbraw/zinc/04/26/62/1204042662.db2.gz SCLCUGOVUHQAAF-CJNGLKHVSA-N 0 3 320.383 3.022 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC3CCC2CC3)cc1 ZINC001724746458 1204043097 /nfs/dbraw/zinc/04/30/97/1204043097.db2.gz MOMIXEMOALGLPP-GFBXMDILSA-N 0 3 324.468 3.413 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001724748947 1204043119 /nfs/dbraw/zinc/04/31/19/1204043119.db2.gz LOZTYDHSADLUFT-OAOYMFHYSA-N 0 3 310.441 3.023 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](CC)C(C)C)C2)CC1 ZINC001724759466 1204044355 /nfs/dbraw/zinc/04/43/55/1204044355.db2.gz NIMMQZBQXKGICC-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)CCCCC(C)C)C2)CC1 ZINC001724759089 1204044414 /nfs/dbraw/zinc/04/44/14/1204044414.db2.gz FSYHQPQFJGTVMP-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2c(C)nsc2C)CCC1 ZINC001724794257 1204048139 /nfs/dbraw/zinc/04/81/39/1204048139.db2.gz UPFOLZIBLFFUGG-UHFFFAOYSA-N 0 3 321.490 3.245 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ncccc2C)CC1 ZINC001724833227 1204051175 /nfs/dbraw/zinc/05/11/75/1204051175.db2.gz CAAUJQUEPMRKSO-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC001724836134 1204051853 /nfs/dbraw/zinc/05/18/53/1204051853.db2.gz NBTGGWSMZOEIAM-HNNXBMFYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCC2(CN(CC(CC)CC)C2)O1 ZINC001724871375 1204061295 /nfs/dbraw/zinc/06/12/95/1204061295.db2.gz SIBBXPYOPRSLOS-QGZVFWFLSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001724965317 1204072480 /nfs/dbraw/zinc/07/24/80/1204072480.db2.gz GMUQJHMZAPACSG-GFCCVEGCSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCN(CC=C)CC2(C)C)CCCCC1 ZINC001724979985 1204074076 /nfs/dbraw/zinc/07/40/76/1204074076.db2.gz RJOQEDJHNJUDLT-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1cc(C)cc(C)c1 ZINC001725047326 1204085291 /nfs/dbraw/zinc/08/52/91/1204085291.db2.gz GEAKYNYXESVNNF-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)CC(F)(F)F ZINC001725050138 1204085995 /nfs/dbraw/zinc/08/59/95/1204085995.db2.gz PQMRJWZACAEVOI-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCC[C@@H]1CN(C)CC=C)c1ccccc1 ZINC001725056401 1204087129 /nfs/dbraw/zinc/08/71/29/1204087129.db2.gz BIPNRXZJKXNGBQ-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001725111654 1204097145 /nfs/dbraw/zinc/09/71/45/1204097145.db2.gz URFTUPAUCDUNIP-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C[C@@H](NC(=O)C(C)(C)C1CC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001725125808 1204099122 /nfs/dbraw/zinc/09/91/22/1204099122.db2.gz BLIODYUVECTIAR-NWDGAFQWSA-N 0 3 319.474 3.039 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001725164267 1204108285 /nfs/dbraw/zinc/10/82/85/1204108285.db2.gz FKFAECHFNKTNMY-GJZGRUSLSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001725176916 1204111477 /nfs/dbraw/zinc/11/14/77/1204111477.db2.gz BCZKXZUSMRPPIW-FUHWJXTLSA-N 0 3 302.462 3.124 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H](C)N(C)CC=C(C)C)c1ccccc1 ZINC001725197869 1204117895 /nfs/dbraw/zinc/11/78/95/1204117895.db2.gz WNCIILMGTIYHDS-AEFFLSMTSA-N 0 3 300.446 3.359 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001725246927 1204127721 /nfs/dbraw/zinc/12/77/21/1204127721.db2.gz IGMFNLQNBSDFHC-QAPCUYQASA-N 0 3 322.493 3.127 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C(CCC)CCC)C[C@]2(C)C1 ZINC001725346264 1204138929 /nfs/dbraw/zinc/13/89/29/1204138929.db2.gz CAZCTTKXSQWXGX-BGYRXZFFSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC001725344597 1204139315 /nfs/dbraw/zinc/13/93/15/1204139315.db2.gz YDFDOKGLKAYCSH-YSIASYRMSA-N 0 3 318.505 3.397 20 30 DGEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)CC(C)(C)C ZINC001725382245 1204144023 /nfs/dbraw/zinc/14/40/23/1204144023.db2.gz OUNGZWOPBZULRB-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001725404563 1204146258 /nfs/dbraw/zinc/14/62/58/1204146258.db2.gz XNAXNDBCKGLAFQ-ZDUSSCGKSA-N 0 3 319.836 3.409 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)Cc2conc2C)CC1 ZINC001725420807 1204148072 /nfs/dbraw/zinc/14/80/72/1204148072.db2.gz PKKCEVISJTYGHA-UHFFFAOYSA-N 0 3 319.449 3.008 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001725569769 1204169001 /nfs/dbraw/zinc/16/90/01/1204169001.db2.gz VTXUQFZUTDVPTC-NEPJUHHUSA-N 0 3 305.249 3.241 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(F)cc1)CC2 ZINC001725583515 1204172005 /nfs/dbraw/zinc/17/20/05/1204172005.db2.gz BBFYEDFEAZNFRR-PKOBYXMFSA-N 0 3 316.420 3.405 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)/C=C\C(C)(C)C ZINC001725585706 1204172071 /nfs/dbraw/zinc/17/20/71/1204172071.db2.gz OTRSSANCJQVVPI-BJANITQPSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1N(C[C@H](F)CC)CC2 ZINC001725607501 1204178401 /nfs/dbraw/zinc/17/84/01/1204178401.db2.gz KTXLBGAJCFGMCL-RKVPGOIHSA-N 0 3 310.457 3.450 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CC/C=C/c3ccccc3)CCC[C@@H]12 ZINC001725610455 1204179253 /nfs/dbraw/zinc/17/92/53/1204179253.db2.gz LBFWHEVOXAJTDA-LOFRFSAXSA-N 0 3 322.452 3.226 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccccc2)[C@H]1C ZINC001725644565 1204189665 /nfs/dbraw/zinc/18/96/65/1204189665.db2.gz YEIZACIVVSWXFM-AEFFLSMTSA-N 0 3 300.446 3.164 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001725774060 1204218835 /nfs/dbraw/zinc/21/88/35/1204218835.db2.gz CBCQQBOYOZQNTC-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](CC)CCC)CC2)CC1 ZINC001725798284 1204224217 /nfs/dbraw/zinc/22/42/17/1204224217.db2.gz VIVXOTIVTYJGQJ-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc2cccc(C)c2s1 ZINC001731246907 1204352594 /nfs/dbraw/zinc/35/25/94/1204352594.db2.gz DBAPTNCWEUTALL-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C)c2ccccc12 ZINC001731269058 1204357348 /nfs/dbraw/zinc/35/73/48/1204357348.db2.gz XYZWHSUKTUGHLH-UHFFFAOYSA-N 0 3 308.425 3.223 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H](C)c1cccc(Cl)c1)C1CC1 ZINC001731345329 1204379624 /nfs/dbraw/zinc/37/96/24/1204379624.db2.gz BUCDAUKAXKZZDG-CQSZACIVSA-N 0 3 318.848 3.047 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001731372737 1204387564 /nfs/dbraw/zinc/38/75/64/1204387564.db2.gz IRJKSTSOLJJRLG-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001731376740 1204388210 /nfs/dbraw/zinc/38/82/10/1204388210.db2.gz HLHCQYVXPUTXPR-ZWIJEDICSA-N 0 3 322.880 3.478 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001731376738 1204388460 /nfs/dbraw/zinc/38/84/60/1204388460.db2.gz HLHCQYVXPUTXPR-MGDKSHQASA-N 0 3 322.880 3.478 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001731386769 1204391437 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C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001731543276 1204453939 /nfs/dbraw/zinc/45/39/39/1204453939.db2.gz VNEJAYGPQGIYNK-ZWKOTPCHSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001731543535 1204454283 /nfs/dbraw/zinc/45/42/83/1204454283.db2.gz SXTRUAKZTPFSOV-ZDUSSCGKSA-N 0 3 302.409 3.215 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001731560746 1204461897 /nfs/dbraw/zinc/46/18/97/1204461897.db2.gz BGSGEZOEOPRWLU-BYSJCTLISA-N 0 3 324.468 3.248 20 30 DGEDHN C[C@H](CNC(=O)CC1=CCCCC1)NCc1ccc(C#N)s1 ZINC001731582782 1204471670 /nfs/dbraw/zinc/47/16/70/1204471670.db2.gz RKOXMIOGOHTETF-CYBMUJFWSA-N 0 3 317.458 3.105 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](CNCc2nc(C)sc2C)C1 ZINC001731669807 1204499945 /nfs/dbraw/zinc/49/99/45/1204499945.db2.gz WGPPHICPMUTAKZ-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN CN(C/C=C\c1ccccc1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001731717645 1204519959 /nfs/dbraw/zinc/51/99/59/1204519959.db2.gz 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C=CCN[C@H](CNC(=O)c1cc[nH]c1C(C)C)c1ccccc1 ZINC001732020857 1204651795 /nfs/dbraw/zinc/65/17/95/1204651795.db2.gz BSALECGCZYJDIE-QGZVFWFLSA-N 0 3 311.429 3.385 20 30 DGEDHN C=CCN[C@H](CNC(=O)CCCC(F)(F)F)c1ccccc1 ZINC001732024028 1204653413 /nfs/dbraw/zinc/65/34/13/1204653413.db2.gz VLRQATYZNPWWBN-CQSZACIVSA-N 0 3 314.351 3.352 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(OCC)cc1)c1ccccc1 ZINC001732027586 1204654511 /nfs/dbraw/zinc/65/45/11/1204654511.db2.gz WIBLFEZMDPZMTH-IBGZPJMESA-N 0 3 324.424 3.332 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc[nH]c2CCC)C1 ZINC001732038092 1204660676 /nfs/dbraw/zinc/66/06/76/1204660676.db2.gz CLBVRIFALBKXPW-INIZCTEOSA-N 0 3 317.477 3.470 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C)(C)CC1 ZINC001732150845 1204714967 /nfs/dbraw/zinc/71/49/67/1204714967.db2.gz ONMNISLSZAXIQR-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCc2ccccc2)C1 ZINC001732169131 1204725850 /nfs/dbraw/zinc/72/58/50/1204725850.db2.gz 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C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001733224501 1205053831 /nfs/dbraw/zinc/05/38/31/1205053831.db2.gz AWPGNPBCNNGEGV-HOTGVXAUSA-N 0 3 318.436 3.476 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCCC1CCCC1 ZINC001733224934 1205054906 /nfs/dbraw/zinc/05/49/06/1205054906.db2.gz XFCIKGYRZDYXCX-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001733227850 1205057893 /nfs/dbraw/zinc/05/78/93/1205057893.db2.gz BCWGZVLEUUCMCF-HKUYNNGSSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001733232950 1205060892 /nfs/dbraw/zinc/06/08/92/1205060892.db2.gz NMBBQDXDGLQKRI-KRWDZBQOSA-N 0 3 317.477 3.192 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001733238933 1205065156 /nfs/dbraw/zinc/06/51/56/1205065156.db2.gz WISIUCCTZRBXSU-PBHICJAKSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cccc3cccnc32)CC1 ZINC001733246223 1205067937 /nfs/dbraw/zinc/06/79/37/1205067937.db2.gz XEPFBGVAEJRWBV-UHFFFAOYSA-N 0 3 323.440 3.330 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001733254157 1205070263 /nfs/dbraw/zinc/07/02/63/1205070263.db2.gz RUYGEANCQLCLDP-INIZCTEOSA-N 0 3 300.446 3.336 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001733362930 1205107196 /nfs/dbraw/zinc/10/71/96/1205107196.db2.gz ZJJAHALWBSYJGD-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCN(C(=O)c1ccc(C=C)cc1)C1CCN(CC=C)CC1 ZINC001733371581 1205107669 /nfs/dbraw/zinc/10/76/69/1205107669.db2.gz NPCBICZUCBMAEZ-UHFFFAOYSA-N 0 3 308.425 3.055 20 30 DGEDHN C#CCN(C(=O)CC(C)(C)C=C)C1CCN(CC(=C)C)CC1 ZINC001733369010 1205107896 /nfs/dbraw/zinc/10/78/96/1205107896.db2.gz LPZPGMRFWIRPEO-UHFFFAOYSA-N 0 3 302.462 3.091 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001733398038 1205116208 /nfs/dbraw/zinc/11/62/08/1205116208.db2.gz NWQLEZGCXILGBN-HNAYVOBHSA-N 0 3 313.445 3.050 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@](C)(CNCc2nccs2)C1 ZINC001733424829 1205129011 /nfs/dbraw/zinc/12/90/11/1205129011.db2.gz GEUCWPSUEBFKSA-QGZVFWFLSA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc3cccnc32)C1 ZINC001733465048 1205146743 /nfs/dbraw/zinc/14/67/43/1205146743.db2.gz XSWZAROICHSWKO-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](F)c2ccccc2)C1 ZINC001733465537 1205146836 /nfs/dbraw/zinc/14/68/36/1205146836.db2.gz MRODBSAASKJNHR-FUHWJXTLSA-N 0 3 304.409 3.102 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1C=CC=CC=C1)c1ccccc1CC ZINC001733518954 1205152885 /nfs/dbraw/zinc/15/28/85/1205152885.db2.gz STNLEYSZWJLJAR-HXUWFJFHSA-N 0 3 322.452 3.480 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2csc(C)n2)C1 ZINC001733525170 1205154865 /nfs/dbraw/zinc/15/48/65/1205154865.db2.gz BQEFCEPDTLDGLE-DZGCQCFKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NCc2nc(C)cs2)C1 ZINC001733532574 1205156263 /nfs/dbraw/zinc/15/62/63/1205156263.db2.gz ZQKOTLPBYZOSMB-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H](C)c1ccccc1 ZINC001733597195 1205170138 /nfs/dbraw/zinc/17/01/38/1205170138.db2.gz AOBXWRVLJRNBBL-YZGWKJHDSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H](CC)SC ZINC001733676270 1205181527 /nfs/dbraw/zinc/18/15/27/1205181527.db2.gz BHUUNUKRFMJLCB-INIZCTEOSA-N 0 3 306.475 3.062 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(F)=C2CCCC2)cc1 ZINC001733682154 1205184180 /nfs/dbraw/zinc/18/41/80/1205184180.db2.gz OXEOZULESDGPFK-CQSZACIVSA-N 0 3 314.404 3.384 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C3(C)CCCC3)cccc2C1 ZINC001733709422 1205189516 /nfs/dbraw/zinc/18/95/16/1205189516.db2.gz WVDTULQCGMPSKA-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)CCC1 ZINC001733720822 1205193808 /nfs/dbraw/zinc/19/38/08/1205193808.db2.gz ORSYMGKNURQGKU-UHFFFAOYSA-N 0 3 323.440 3.050 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccsc3)CCC2)C1 ZINC001733721640 1205194471 /nfs/dbraw/zinc/19/44/71/1205194471.db2.gz NNSIXYOZFXLFGK-UHFFFAOYSA-N 0 3 304.459 3.233 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C2(CC)CCCCC2)CC1 ZINC001733766239 1205204084 /nfs/dbraw/zinc/20/40/84/1205204084.db2.gz DICDOYAWVLTUMU-QGZVFWFLSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001733775903 1205212074 /nfs/dbraw/zinc/21/20/74/1205212074.db2.gz GBAWIFFCYOPMRP-IBGZPJMESA-N 0 3 317.477 3.273 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001733778851 1205215383 /nfs/dbraw/zinc/21/53/83/1205215383.db2.gz OTPIKRXMDXJKDA-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001733780802 1205216765 /nfs/dbraw/zinc/21/67/65/1205216765.db2.gz RBSUWPQFALXHAX-HKUYNNGSSA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC=C ZINC001733808802 1205222791 /nfs/dbraw/zinc/22/27/91/1205222791.db2.gz OCDFOXYMLQQTSA-HXUWFJFHSA-N 0 3 324.468 3.299 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(C)(NCc2cc(C)no2)CC1 ZINC001733865832 1205234968 /nfs/dbraw/zinc/23/49/68/1205234968.db2.gz IKTFVTUCACJIMP-OAHLLOKOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001733892411 1205242327 /nfs/dbraw/zinc/24/23/27/1205242327.db2.gz PJMLUYIKXMMBIH-PBHICJAKSA-N 0 3 304.409 3.261 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCC2CCCCCC2)C[C@@H]1C ZINC001733897018 1205244428 /nfs/dbraw/zinc/24/44/28/1205244428.db2.gz DHIKHLCXJCGYCZ-FUHWJXTLSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1c2ccccc2CCN1CCC=C ZINC001733908284 1205251143 /nfs/dbraw/zinc/25/11/43/1205251143.db2.gz SHTGWVJRQSDSQI-FQEVSTJZSA-N 0 3 324.468 3.472 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001733922477 1205255453 /nfs/dbraw/zinc/25/54/53/1205255453.db2.gz VZXQHGRZHHNONT-QXAKKESOSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001733990162 1205281419 /nfs/dbraw/zinc/28/14/19/1205281419.db2.gz NIFMSPARZDQTLM-OLZOCXBDSA-N 0 3 309.841 3.074 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)CC1 ZINC001733993255 1205281782 /nfs/dbraw/zinc/28/17/82/1205281782.db2.gz YRHGWMFWBTXILU-MSOLQXFVSA-N 0 3 324.468 3.267 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ns1 ZINC001733998274 1205283736 /nfs/dbraw/zinc/28/37/36/1205283736.db2.gz XPPCPBGHUCIRMC-OLZOCXBDSA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1scnc1C1CCCC1 ZINC001734045038 1205302105 /nfs/dbraw/zinc/30/21/05/1205302105.db2.gz UGMXWSFNANAAOT-LBPRGKRZSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001734062989 1205312966 /nfs/dbraw/zinc/31/29/66/1205312966.db2.gz ODXXASKPIFAGJT-STQMWFEESA-N 0 3 306.475 3.109 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1c(CC)oc2ccccc21 ZINC001734064441 1205313667 /nfs/dbraw/zinc/31/36/67/1205313667.db2.gz BMNAXYHJJXRSTK-CYBMUJFWSA-N 0 3 300.402 3.231 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCc1ccsc1 ZINC001734103494 1205324487 /nfs/dbraw/zinc/32/44/87/1205324487.db2.gz JANNNTRYLPJLPE-QGZVFWFLSA-N 0 3 318.486 3.065 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCC1CCCCC1 ZINC001734105764 1205326185 /nfs/dbraw/zinc/32/61/85/1205326185.db2.gz HKYFALMBCZXQGD-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001734119384 1205328839 /nfs/dbraw/zinc/32/88/39/1205328839.db2.gz OOJNQJMIROZXPW-OAHLLOKOSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CC1(CC(=O)N[C@@H](C)C2CN(CCCF)C2)CCCCC1 ZINC001734124550 1205330768 /nfs/dbraw/zinc/33/07/68/1205330768.db2.gz UJRJPITYBXFEOA-HNNXBMFYSA-N 0 3 310.457 3.309 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)C(C)(C)CCC)C[C@]2(C)C1 ZINC001734197673 1205342067 /nfs/dbraw/zinc/34/20/67/1205342067.db2.gz AFMHTQBDBNKACF-KDURUIRLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2nc(C)cs2)C1 ZINC001734217102 1205345092 /nfs/dbraw/zinc/34/50/92/1205345092.db2.gz KRUCNHNJQYMRHM-CKEIUWERSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001734220334 1205346114 /nfs/dbraw/zinc/34/61/14/1205346114.db2.gz RBRNOHMLXOWODU-NQBOGQKCSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001734340832 1205367677 /nfs/dbraw/zinc/36/76/77/1205367677.db2.gz WICGRHKBFYJHOV-KGLIPLIRSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cnccc2C)C[C@H]1C ZINC001734423096 1205375222 /nfs/dbraw/zinc/37/52/22/1205375222.db2.gz WALZCQHLLDAWOV-WBVHZDCISA-N 0 3 315.461 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cnccc2C)C[C@@H]1C ZINC001734423093 1205375296 /nfs/dbraw/zinc/37/52/96/1205375296.db2.gz WALZCQHLLDAWOV-DOTOQJQBSA-N 0 3 315.461 3.071 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2oc3ccccc3c2CC)C1 ZINC001734425558 1205375504 /nfs/dbraw/zinc/37/55/04/1205375504.db2.gz BWXTVIXKUXOFBN-GJZGRUSLSA-N 0 3 324.424 3.211 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2(C(F)(F)F)CC2)[C@H]1C ZINC001734459056 1205381202 /nfs/dbraw/zinc/38/12/02/1205381202.db2.gz NDEWUZDVJILZSZ-OLZOCXBDSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)C1(C)CC1)Cc1ccccc1 ZINC001734463700 1205382196 /nfs/dbraw/zinc/38/21/96/1205382196.db2.gz OLQLWNKSZKWBFA-INIZCTEOSA-N 0 3 320.864 3.246 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2nc(C)c(C)s2)C1 ZINC001734471939 1205384409 /nfs/dbraw/zinc/38/44/09/1205384409.db2.gz VQIYCNTXBRJVMT-CABCVRRESA-N 0 3 321.490 3.101 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccccc2F)C(C)(C)C1 ZINC001734490507 1205386670 /nfs/dbraw/zinc/38/66/70/1205386670.db2.gz FDWDDGFJMVGULU-INIZCTEOSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cccc2scnc21)C(C)C ZINC001734548081 1205389871 /nfs/dbraw/zinc/38/98/71/1205389871.db2.gz SRJUWOCITGXWOT-UHFFFAOYSA-N 0 3 317.458 3.265 20 30 DGEDHN CC(C)C#CC(=O)N(CCN(C)Cc1ccccc1)C(C)C ZINC001734547329 1205390129 /nfs/dbraw/zinc/39/01/29/1205390129.db2.gz ITCLOFCDHRHGGL-UHFFFAOYSA-N 0 3 300.446 3.015 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(C)C ZINC001734550097 1205390966 /nfs/dbraw/zinc/39/09/66/1205390966.db2.gz KWROFIZMGSTFPG-BCDXTJNWSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CCCC1(F)F)C(C)C ZINC001734552054 1205391545 /nfs/dbraw/zinc/39/15/45/1205391545.db2.gz MVGNOOXCMPWNOO-AWEZNQCLSA-N 0 3 302.409 3.167 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@](C)(CC)CCC)CC1 ZINC001734587369 1205401384 /nfs/dbraw/zinc/40/13/84/1205401384.db2.gz LMJYLLJYGABTOO-QFBILLFUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C2(CCC)CC2)CC[C@H]1C(F)(F)F ZINC001734590145 1205401768 /nfs/dbraw/zinc/40/17/68/1205401768.db2.gz UNMJWDVWXQCTLZ-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001734597890 1205403532 /nfs/dbraw/zinc/40/35/32/1205403532.db2.gz DBVAXBRSNKUETE-NFOMZHRRSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2cccc(C)c2Cl)CC1 ZINC001734624598 1205406478 /nfs/dbraw/zinc/40/64/78/1205406478.db2.gz AAWHOMDHDQRXPA-UHFFFAOYSA-N 0 3 318.848 3.125 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@H](C)C2CC2)c(F)c1 ZINC001734640301 1205408815 /nfs/dbraw/zinc/40/88/15/1205408815.db2.gz OWHWJZMSOBRNSE-ZDUSSCGKSA-N 0 3 304.409 3.154 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001674710447 1197840969 /nfs/dbraw/zinc/84/09/69/1197840969.db2.gz QIDGRMGLFKTQHI-MNOVXSKESA-N 0 3 307.265 3.391 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Sc1ccc(F)cc1 ZINC001635757946 1194570584 /nfs/dbraw/zinc/57/05/84/1194570584.db2.gz RJXNZXFSCJDGIT-AWEZNQCLSA-N 0 3 324.465 3.273 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169527462 1081582906 /nfs/dbraw/zinc/58/29/06/1081582906.db2.gz MTKRRYZCGTYDHX-AEFFLSMTSA-N 0 3 312.457 3.063 20 30 DGEDHN CN1CCN(c2ccc(NC34CCC(C#N)(CC3)CC4)cc2)CC1 ZINC001169750601 1081642320 /nfs/dbraw/zinc/64/23/20/1081642320.db2.gz ICISZIOFKAGXHN-UHFFFAOYSA-N 0 3 324.472 3.467 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)CCc1ccc(Cl)cc1 ZINC001266312357 1081657285 /nfs/dbraw/zinc/65/72/85/1081657285.db2.gz YOPZUZBYXGPQFS-UHFFFAOYSA-N 0 3 320.864 3.124 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC001266317189 1081660567 /nfs/dbraw/zinc/66/05/67/1081660567.db2.gz NBTVYDXYSMQLNV-FQEVSTJZSA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCCCN1CCO[C@H]2[C@H](OCc3csc(C)n3)CC[C@@H]21 ZINC001209160745 1081693696 /nfs/dbraw/zinc/69/36/96/1081693696.db2.gz BLWWWRNETGSXOD-GVDBMIGSSA-N 0 3 322.474 3.166 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@](C)(CC)CCC)CC1 ZINC001266379174 1081719671 /nfs/dbraw/zinc/71/96/71/1081719671.db2.gz BOBSADHCOQRQBW-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001266379828 1081720902 /nfs/dbraw/zinc/72/09/02/1081720902.db2.gz NURQLCUYYZSUAZ-IEBWSBKVSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cnccc2C)CC1 ZINC001266384437 1081724268 /nfs/dbraw/zinc/72/42/68/1081724268.db2.gz IVGOMFNTKKIFOX-UHFFFAOYSA-N 0 3 315.461 3.283 20 30 DGEDHN Cc1cnc(N(CCC#N)Cc2ccc(Cl)cc2)c(CN)c1 ZINC001167141587 1081753608 /nfs/dbraw/zinc/75/36/08/1081753608.db2.gz YFUYOWOKTPGNKU-UHFFFAOYSA-N 0 3 314.820 3.422 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(CC)c1 ZINC001109046103 1081755084 /nfs/dbraw/zinc/75/50/84/1081755084.db2.gz IKOPGZZHCBKDAU-QYZOEREBSA-N 0 3 312.457 3.437 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1scnc1C)C1CC1 ZINC001266412132 1081768139 /nfs/dbraw/zinc/76/81/39/1081768139.db2.gz MOSAHYYHJURXSS-CQSZACIVSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCC1(C(=O)NCCN(CC)Cc2ccccc2)CCC1 ZINC001266416115 1081772281 /nfs/dbraw/zinc/77/22/81/1081772281.db2.gz APBGEDNLTFCKKL-UHFFFAOYSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001109605525 1081885665 /nfs/dbraw/zinc/88/56/65/1081885665.db2.gz GMTGCWORKDYXNP-KBMXLJTQSA-N 0 3 318.486 3.224 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001266488594 1081889544 /nfs/dbraw/zinc/88/95/44/1081889544.db2.gz LWZFUHFQPIKYKQ-NWDGAFQWSA-N 0 3 312.866 3.272 20 30 DGEDHN CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001110023005 1081951018 /nfs/dbraw/zinc/95/10/18/1081951018.db2.gz HPONPVZLQCIRKR-SQNIBIBYSA-N 0 3 324.509 3.495 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001086547887 1081985129 /nfs/dbraw/zinc/98/51/29/1081985129.db2.gz JYOWOCYMBAGZAH-WKILWMFISA-N 0 3 320.864 3.462 20 30 DGEDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccccc1C#N ZINC001210738659 1082012158 /nfs/dbraw/zinc/01/21/58/1082012158.db2.gz CQQVAQIHXYNOCP-UHFFFAOYSA-N 0 3 306.413 3.362 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)Cc1ccc2ccccc2c1 ZINC001266577400 1082020293 /nfs/dbraw/zinc/02/02/93/1082020293.db2.gz JGDHYHKRFFMVRY-UHFFFAOYSA-N 0 3 322.452 3.234 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001167363468 1082026836 /nfs/dbraw/zinc/02/68/36/1082026836.db2.gz ZJHMMCDQTQIIFX-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001266581084 1082029396 /nfs/dbraw/zinc/02/93/96/1082029396.db2.gz QJGOUZWAUXBGMU-XHBSWPGZSA-N 0 3 320.383 3.155 20 30 DGEDHN CCC(CC)CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001266628186 1082093242 /nfs/dbraw/zinc/09/32/42/1082093242.db2.gz DWYHPPNAZWWLTH-WGSAOQKQSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001086573694 1082104117 /nfs/dbraw/zinc/10/41/17/1082104117.db2.gz IIFVZWNDVJGUHI-ZWKOTPCHSA-N 0 3 324.424 3.362 20 30 DGEDHN CCC[C@@H](C)CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266672091 1082131750 /nfs/dbraw/zinc/13/17/50/1082131750.db2.gz MHSNIXQUNSAZCP-QRQLOZEOSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1C ZINC001104342044 1082152410 /nfs/dbraw/zinc/15/24/10/1082152410.db2.gz AAFCRIRMZUGRQA-IVMMDQJWSA-N 0 3 312.885 3.249 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001266705584 1082157144 /nfs/dbraw/zinc/15/71/44/1082157144.db2.gz MCKFGVRBSSXEFX-BNOWGMLFSA-N 0 3 322.399 3.475 20 30 DGEDHN C#CCN(CC#C)CCCCOc1cccc(C(F)(F)F)c1 ZINC001167464743 1082179867 /nfs/dbraw/zinc/17/98/67/1082179867.db2.gz QDCCZJHUHLNZFP-UHFFFAOYSA-N 0 3 309.331 3.433 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001480889489 1082197478 /nfs/dbraw/zinc/19/74/78/1082197478.db2.gz WAXPHVDSZTXBOE-MSOLQXFVSA-N 0 3 300.446 3.194 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001113596504 1082258334 /nfs/dbraw/zinc/25/83/34/1082258334.db2.gz MVIRZRUXEQBZTH-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC001266858577 1082274474 /nfs/dbraw/zinc/27/44/74/1082274474.db2.gz TXVYHQXBQABHGK-ZDUSSCGKSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCC2CCCCC2)C1 ZINC001266898141 1082317597 /nfs/dbraw/zinc/31/75/97/1082317597.db2.gz SPYJBBULZMBVKK-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCC2CCCCC2)C1 ZINC001266898140 1082317660 /nfs/dbraw/zinc/31/76/60/1082317660.db2.gz SPYJBBULZMBVKK-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN COc1ccc(C[C@@H](C)N2CCC(CC#N)CC2)c([N+](=O)[O-])c1 ZINC001170347504 1082356842 /nfs/dbraw/zinc/35/68/42/1082356842.db2.gz RNXMRCXPQMWWDL-CYBMUJFWSA-N 0 3 317.389 3.160 20 30 DGEDHN CC[C@H](Cc1ccc2c(c1)OCO2)NCC1(C#N)CCCC1 ZINC001170403241 1082364654 /nfs/dbraw/zinc/36/46/54/1082364654.db2.gz DDIPZKXNQGCBPX-OAHLLOKOSA-N 0 3 300.402 3.410 20 30 DGEDHN CCN([C@@H](C)C(=O)OC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170404683 1082366543 /nfs/dbraw/zinc/36/65/43/1082366543.db2.gz JIBZKNAOIRQTAW-DMKPSLHHSA-N 0 3 314.429 3.274 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001266967504 1082384977 /nfs/dbraw/zinc/38/49/77/1082384977.db2.gz GOWZIPJPSXIIAC-SJKOYZFVSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001266967609 1082385490 /nfs/dbraw/zinc/38/54/90/1082385490.db2.gz HEKFTPIKSSCVQP-KBXCAEBGSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001266967501 1082385550 /nfs/dbraw/zinc/38/55/50/1082385550.db2.gz GOWZIPJPSXIIAC-SJCJKPOMSA-N 0 3 310.388 3.161 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001266967611 1082385569 /nfs/dbraw/zinc/38/55/69/1082385569.db2.gz HEKFTPIKSSCVQP-KSSFIOAISA-N 0 3 306.425 3.331 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001267115237 1082533450 /nfs/dbraw/zinc/53/34/50/1082533450.db2.gz RCERZJJHEOSZPM-HXUWFJFHSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001167573572 1082537248 /nfs/dbraw/zinc/53/72/48/1082537248.db2.gz KNEPFXVHYGOYHM-UHFFFAOYSA-N 0 3 321.852 3.134 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2c(o1)CCCC2 ZINC001267130075 1082548039 /nfs/dbraw/zinc/54/80/39/1082548039.db2.gz CMXGQNACIDZZPM-GFCCVEGCSA-N 0 3 310.825 3.009 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccccc2F)C1 ZINC001086631569 1082556918 /nfs/dbraw/zinc/55/69/18/1082556918.db2.gz DHPIBFMNAUZKOB-QWHCGFSZSA-N 0 3 310.800 3.066 20 30 DGEDHN CC[C@@H]1CCC[C@]1(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001130259142 1082559672 /nfs/dbraw/zinc/55/96/72/1082559672.db2.gz XCUQDQGDOMZHDY-DYVFJYSZSA-N 0 3 319.474 3.042 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001496138949 1082586545 /nfs/dbraw/zinc/58/65/45/1082586545.db2.gz MWORYRHHMZRKPY-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001267173082 1082597079 /nfs/dbraw/zinc/59/70/79/1082597079.db2.gz FJHVEXHCLGIOGH-FXUDXRNXSA-N 0 3 310.869 3.146 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001267192168 1082620663 /nfs/dbraw/zinc/62/06/63/1082620663.db2.gz JNHLQBWPIWJNPR-GOSISDBHSA-N 0 3 316.420 3.055 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001130904304 1082622604 /nfs/dbraw/zinc/62/26/04/1082622604.db2.gz KGJAURKEBGUYNU-IIDMSEBBSA-N 0 3 310.457 3.450 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001267218856 1082651757 /nfs/dbraw/zinc/65/17/57/1082651757.db2.gz HJROIJKXJGTAEZ-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN CC(C)(C)c1ccc(-c2noc([C@H]3NC[C@H]4C[C@H]43)n2)c(C#N)c1 ZINC001211565568 1082652729 /nfs/dbraw/zinc/65/27/29/1082652729.db2.gz HUWPYDDZEGAKDN-DFBGVHRSSA-N 0 3 308.385 3.186 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001267225472 1082662316 /nfs/dbraw/zinc/66/23/16/1082662316.db2.gz WQEIDPJJIPYSIB-HNNXBMFYSA-N 0 3 304.434 3.102 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(=C)C ZINC001158369803 1082680698 /nfs/dbraw/zinc/68/06/98/1082680698.db2.gz LURUCVQYFCKZCT-ZWKOTPCHSA-N 0 3 322.493 3.104 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001086671271 1082687524 /nfs/dbraw/zinc/68/75/24/1082687524.db2.gz RLHULJZTXGDGLX-UONOGXRCSA-N 0 3 310.825 3.137 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001131739617 1082711476 /nfs/dbraw/zinc/71/14/76/1082711476.db2.gz XWKJMCWDIGQREC-KGLIPLIRSA-N 0 3 302.409 3.357 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1c1ccccc1 ZINC001211590709 1082737508 /nfs/dbraw/zinc/73/75/08/1082737508.db2.gz RPSFVXOFWORJOG-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001493303677 1082742223 /nfs/dbraw/zinc/74/22/23/1082742223.db2.gz DDRVMMIBYWFEQU-IRXDYDNUSA-N 0 3 304.478 3.076 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(CCc2ccccc2F)C1 ZINC001131895408 1082762192 /nfs/dbraw/zinc/76/21/92/1082762192.db2.gz IMUJMGZLODIPMF-NVXWUHKLSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOc2ccccc2)C1 ZINC001131895916 1082763175 /nfs/dbraw/zinc/76/31/75/1082763175.db2.gz NHEUZHBJXQNJGD-IAGOWNOFSA-N 0 3 316.445 3.001 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)Cc1cccc(C(F)F)c1 ZINC001267314492 1082780757 /nfs/dbraw/zinc/78/07/57/1082780757.db2.gz KACGFTXERGUFHQ-UHFFFAOYSA-N 0 3 322.399 3.018 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C(C)C)oc1C ZINC001267317809 1082787010 /nfs/dbraw/zinc/78/70/10/1082787010.db2.gz APFYIXOBJPJIIQ-UHFFFAOYSA-N 0 3 304.434 3.177 20 30 DGEDHN Cc1cccc(CN2C[C@@H](NC(=O)C#CC(C)C)CC[C@H]2C)c1 ZINC001132018613 1082796534 /nfs/dbraw/zinc/79/65/34/1082796534.db2.gz XWQBOUGNLGBCLF-MJGOQNOKSA-N 0 3 312.457 3.124 20 30 DGEDHN Cc1ccc(C)c(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c1 ZINC001132045799 1082805722 /nfs/dbraw/zinc/80/57/22/1082805722.db2.gz JAZRCPNUUFFXQR-FXAWDEMLSA-N 0 3 324.468 3.186 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC2CCOCC2)CC[C@H]1C ZINC001132082872 1082810680 /nfs/dbraw/zinc/81/06/80/1082810680.db2.gz KCGZDRUXMFWPAL-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132095450 1082816691 /nfs/dbraw/zinc/81/66/91/1082816691.db2.gz YFJJBMVGRUENHV-STQMWFEESA-N 0 3 318.383 3.264 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CC=C(C)C)C2)CCC1 ZINC001132102509 1082817416 /nfs/dbraw/zinc/81/74/16/1082817416.db2.gz WSSHYJCFGOHINU-IAGOWNOFSA-N 0 3 302.462 3.115 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(Cc3ccccc3)C2)CCC1 ZINC001132101406 1082817810 /nfs/dbraw/zinc/81/78/10/1082817810.db2.gz LAPQPWFRALZAQX-PKOBYXMFSA-N 0 3 324.468 3.349 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(Cc3ccccc3)CC2)CC[C@@H]1C ZINC001132110318 1082821155 /nfs/dbraw/zinc/82/11/55/1082821155.db2.gz HOEUFWSREOBRQX-PKOBYXMFSA-N 0 3 324.468 3.002 20 30 DGEDHN CCCCCC[C@H](CC)N1CCN(c2nccnc2C#N)CC1 ZINC001170602272 1082834084 /nfs/dbraw/zinc/83/40/84/1082834084.db2.gz YNKNPURCQCFRGN-INIZCTEOSA-N 0 3 315.465 3.219 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(Cl)cc2)CC[C@@H]1C ZINC001132207088 1082838215 /nfs/dbraw/zinc/83/82/15/1082838215.db2.gz QNCAUWYBSALDGT-WMLDXEAASA-N 0 3 320.864 3.428 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132218436 1082844497 /nfs/dbraw/zinc/84/44/97/1082844497.db2.gz QNICTXCRYCDTFS-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCCC(C)C)C1 ZINC001132252724 1082854260 /nfs/dbraw/zinc/85/42/60/1082854260.db2.gz JGVDOIOVALTYTH-MSOLQXFVSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132304091 1082875919 /nfs/dbraw/zinc/87/59/19/1082875919.db2.gz DUYNGPHJNYFXJD-UHFFFAOYSA-N 0 3 324.852 3.157 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC(C)(C)C2CC2)C1 ZINC001267460297 1082899433 /nfs/dbraw/zinc/89/94/33/1082899433.db2.gz UJFZEJVUYISTTQ-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN CCCCCCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132436803 1082909722 /nfs/dbraw/zinc/90/97/22/1082909722.db2.gz ONCFUHAVJCJYSB-SJORKVTESA-N 0 3 312.498 3.353 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132456517 1082912124 /nfs/dbraw/zinc/91/21/24/1082912124.db2.gz GBYBSBOPJGGEDL-RYUDHWBXSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CCCCCC)CC[C@@H]1C ZINC001132459667 1082916268 /nfs/dbraw/zinc/91/62/68/1082916268.db2.gz CPNXICCDALMTQZ-DLBZAZTESA-N 0 3 310.482 3.129 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CCCC3)C(C)(C)[C@H]21 ZINC001087271338 1082919239 /nfs/dbraw/zinc/91/92/39/1082919239.db2.gz QLCLMHDDWUMCEM-QRQLOZEOSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001267481041 1082935680 /nfs/dbraw/zinc/93/56/80/1082935680.db2.gz DVMWGXWUAMSTAH-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)s2)CC[C@H]1C ZINC001132541179 1082937581 /nfs/dbraw/zinc/93/75/81/1082937581.db2.gz BFAUCDIOZHGPHD-UKRRQHHQSA-N 0 3 306.475 3.144 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(C[C@H](C)OC)C2)CC1 ZINC001267482646 1082939656 /nfs/dbraw/zinc/93/96/56/1082939656.db2.gz ULTJHVLDMKPJIR-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001132569110 1082948406 /nfs/dbraw/zinc/94/84/06/1082948406.db2.gz KSMCNLNJCUNOKR-KGLIPLIRSA-N 0 3 300.402 3.097 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCCn2cccc2)C1 ZINC001267495488 1082954243 /nfs/dbraw/zinc/95/42/43/1082954243.db2.gz CVECORMEDYYKLH-SFHVURJKSA-N 0 3 317.477 3.157 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132658404 1082969676 /nfs/dbraw/zinc/96/96/76/1082969676.db2.gz FDYHEDVYDGPOAB-CVEARBPZSA-N 0 3 316.445 3.046 20 30 DGEDHN 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C=C1CC(C)(C(=O)NCCN[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001133565632 1083152282 /nfs/dbraw/zinc/15/22/82/1083152282.db2.gz DYUWKMDPIKQBPW-LBPRGKRZSA-N 0 3 308.372 3.088 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001133569969 1083152829 /nfs/dbraw/zinc/15/28/29/1083152829.db2.gz GYERWYOZKOYQOJ-INIZCTEOSA-N 0 3 320.383 3.014 20 30 DGEDHN CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133707543 1083176915 /nfs/dbraw/zinc/17/69/15/1083176915.db2.gz ILPBOQGJMKUSDH-HUUCEWRRSA-N 0 3 301.434 3.121 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1C ZINC001104691653 1083187904 /nfs/dbraw/zinc/18/79/04/1083187904.db2.gz QPAJBTOWGDQZLM-KGYLQXTDSA-N 0 3 322.827 3.104 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1C ZINC001104731699 1083198146 /nfs/dbraw/zinc/19/81/46/1083198146.db2.gz STTOTBTTYKGCLW-IAQYHMDHSA-N 0 3 323.868 3.072 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)/C(C)=C/CC ZINC001133839534 1083201602 /nfs/dbraw/zinc/20/16/02/1083201602.db2.gz 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C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc(C)cn2c1 ZINC001267705855 1083274828 /nfs/dbraw/zinc/27/48/28/1083274828.db2.gz QCUABGMTCDTRQS-OALUTQOASA-N 0 3 323.440 3.113 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC(F)F ZINC001267709690 1083276244 /nfs/dbraw/zinc/27/62/44/1083276244.db2.gz ADJBSWQTMGNFIR-KBPBESRZSA-N 0 3 314.420 3.309 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001267732167 1083291429 /nfs/dbraw/zinc/29/14/29/1083291429.db2.gz FJGYKPNOLALXSJ-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001267748326 1083315226 /nfs/dbraw/zinc/31/52/26/1083315226.db2.gz VUDKURNCWBFHPB-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001267760582 1083324962 /nfs/dbraw/zinc/32/49/62/1083324962.db2.gz WGKHAVZXQGYTHH-WMZOPIPTSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(Cc2csc(C)c2)C1 ZINC001267781515 1083343837 /nfs/dbraw/zinc/34/38/37/1083343837.db2.gz 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C/C=C(\C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001268055752 1084050847 /nfs/dbraw/zinc/05/08/47/1084050847.db2.gz CGTIWVSNPBEEGG-ZXZGFYSFSA-N 0 3 318.848 3.094 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183898182 1084054298 /nfs/dbraw/zinc/05/42/98/1084054298.db2.gz KRJIBRLGKRQTKO-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C#CCC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC001183940411 1084061029 /nfs/dbraw/zinc/06/10/29/1084061029.db2.gz VDJYVNPPMKLZOE-UHFFFAOYSA-N 0 3 308.219 3.499 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCc2ccc(CC)cc2)C1 ZINC001481524476 1084071016 /nfs/dbraw/zinc/07/10/16/1084071016.db2.gz WUUDTWWDLDFXSS-LJQANCHMSA-N 0 3 314.473 3.338 20 30 DGEDHN CCC(=CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1)CC ZINC001268062014 1084076329 /nfs/dbraw/zinc/07/63/29/1084076329.db2.gz UBKISNABXWAHCH-KRWDZBQOSA-N 0 3 312.457 3.221 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001481530643 1084086194 /nfs/dbraw/zinc/08/61/94/1084086194.db2.gz 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C=C(Cl)CNCC1(NC(=O)[C@H](C)Cc2ccco2)CCCC1 ZINC001481909104 1084698989 /nfs/dbraw/zinc/69/89/89/1084698989.db2.gz ANBKIJSOPFKCIP-CYBMUJFWSA-N 0 3 324.852 3.229 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccc(C)c1F)C1CC1 ZINC001481930620 1084713954 /nfs/dbraw/zinc/71/39/54/1084713954.db2.gz MYTXENUKBYBFGJ-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001211776838 1084738715 /nfs/dbraw/zinc/73/87/15/1084738715.db2.gz SFSTZQAPEBSZGS-QZTJIDSGSA-N 0 3 324.509 3.353 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001481986609 1084751243 /nfs/dbraw/zinc/75/12/43/1084751243.db2.gz SPVLUIIEEYYQIV-VNQPRFMTSA-N 0 3 310.869 3.003 20 30 DGEDHN CN(C)CC#CCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1 ZINC001187270854 1084778795 /nfs/dbraw/zinc/77/87/95/1084778795.db2.gz GXSZYBMEZLPURT-UHFFFAOYSA-N 0 3 302.466 3.049 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC001482034734 1084786257 /nfs/dbraw/zinc/78/62/57/1084786257.db2.gz 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C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@H]1CC ZINC001087757885 1086401924 /nfs/dbraw/zinc/40/19/24/1086401924.db2.gz QKZAJGDZEAJJDH-ZSYWTGECSA-N 0 3 312.457 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@H]1CC ZINC001087796181 1086412376 /nfs/dbraw/zinc/41/23/76/1086412376.db2.gz NVRYMZGUHMQPLM-SOUVJXGZSA-N 0 3 306.475 3.315 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@H]1CC ZINC001087810800 1086417766 /nfs/dbraw/zinc/41/77/66/1086417766.db2.gz MGDGZJDNSSJFFQ-NWDGAFQWSA-N 0 3 312.866 3.479 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001271153991 1086424413 /nfs/dbraw/zinc/42/44/13/1086424413.db2.gz BBAUVEKHSIUDCK-UONOGXRCSA-N 0 3 321.490 3.383 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)[C@H]1CC ZINC001087823382 1086428873 /nfs/dbraw/zinc/42/88/73/1086428873.db2.gz TYVRJMRHZZSWQJ-LSDHHAIUSA-N 0 3 322.836 3.117 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2C(C)C)[C@H]1CC ZINC001087839865 1086438506 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C=CCC[N@@H+](C)CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001271766607 1086760182 /nfs/dbraw/zinc/76/01/82/1086760182.db2.gz SHQGHYRBGJOMLM-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=CCC[N@H+](C)CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001271766607 1086760186 /nfs/dbraw/zinc/76/01/86/1086760186.db2.gz SHQGHYRBGJOMLM-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC(C)(C)C1 ZINC001271819983 1086780808 /nfs/dbraw/zinc/78/08/08/1086780808.db2.gz YQJNCVPUJCOCKV-SFHVURJKSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cc(C)ns1)C(C)C ZINC001271877485 1086800335 /nfs/dbraw/zinc/80/03/35/1086800335.db2.gz KJQSODLZDWIOEF-OAHLLOKOSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H]1CCCC1(F)F)C(C)C ZINC001271887166 1086807693 /nfs/dbraw/zinc/80/76/93/1086807693.db2.gz YOZBMDKYXHNUOS-OLZOCXBDSA-N 0 3 322.827 3.295 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CCCCCC)C[C@@H]2C1 ZINC001271886826 1086808105 /nfs/dbraw/zinc/80/81/05/1086808105.db2.gz BAHUYRRJXQNZKC-OKZBNKHCSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(C)c1C)C(C)C ZINC001271930307 1086842668 /nfs/dbraw/zinc/84/26/68/1086842668.db2.gz OELCTTCWRWJFTL-INIZCTEOSA-N 0 3 308.853 3.400 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(CF)CCC2)C1 ZINC001088385971 1086900680 /nfs/dbraw/zinc/90/06/80/1086900680.db2.gz ZBVFFJDYGWTFBS-AWEZNQCLSA-N 0 3 316.848 3.240 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001272014730 1086972439 /nfs/dbraw/zinc/97/24/39/1086972439.db2.gz DPEQOZGGGOULKS-IRXDYDNUSA-N 0 3 316.470 3.117 20 30 DGEDHN C[C@H]1C[C@@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001168143744 1086983241 /nfs/dbraw/zinc/98/32/41/1086983241.db2.gz LGGOOUAYFWUJLG-GJZGRUSLSA-N 0 3 302.393 3.250 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCCC(C)C ZINC001272046255 1087026862 /nfs/dbraw/zinc/02/68/62/1087026862.db2.gz XSPQNKLHRVFVJV-ZWKOTPCHSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1csc(C)n1 ZINC001482677606 1087132879 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C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@H]1C ZINC001088664658 1087249970 /nfs/dbraw/zinc/24/99/70/1087249970.db2.gz CMQPIIVKLMQWSG-LZQZEXGQSA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(OC)c2C)[C@H]1C ZINC001088707630 1087306826 /nfs/dbraw/zinc/30/68/26/1087306826.db2.gz DPRFBYPBAZVMML-WBVHZDCISA-N 0 3 316.445 3.081 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001483063368 1087320772 /nfs/dbraw/zinc/32/07/72/1087320772.db2.gz CIJNTVJPNZSWRF-WAYWQWQTSA-N 0 3 304.409 3.190 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)[C@H]1C ZINC001088764840 1087344361 /nfs/dbraw/zinc/34/43/61/1087344361.db2.gz XVLVZWHYUDBDFX-YSHGAJCASA-N 0 3 312.457 3.020 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)[C@H]1C ZINC001088821798 1087385316 /nfs/dbraw/zinc/38/53/16/1087385316.db2.gz NQVUCFWAHBUEOR-PBHICJAKSA-N 0 3 304.478 3.358 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C)sc1C ZINC001272242538 1087391015 /nfs/dbraw/zinc/39/10/15/1087391015.db2.gz 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1087492026 /nfs/dbraw/zinc/49/20/26/1087492026.db2.gz OVBLDMOVNFGVIV-CYBMUJFWSA-N 0 3 302.443 3.446 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cncc2sccc21 ZINC001483486920 1087513404 /nfs/dbraw/zinc/51/34/04/1087513404.db2.gz IGLSHDNUVUFSNG-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN CN(CCCNCc1ccccc1C#N)C(=O)CCC1(C)CC1 ZINC001483500805 1087516229 /nfs/dbraw/zinc/51/62/29/1087516229.db2.gz BKHAMBMSLSXBOL-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(c2ccccc2C)CC1 ZINC001483513050 1087519457 /nfs/dbraw/zinc/51/94/57/1087519457.db2.gz JEZZVUXTNQMHPY-UHFFFAOYSA-N 0 3 320.864 3.217 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(CF)cc2)CC1 ZINC001168389470 1087548625 /nfs/dbraw/zinc/54/86/25/1087548625.db2.gz XRPDMZVFSYDOAX-UHFFFAOYSA-N 0 3 324.827 3.398 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)[C@H]1C ZINC001088874025 1087593556 /nfs/dbraw/zinc/59/35/56/1087593556.db2.gz HNFAPLRSQXBELG-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)c3ccccc23)[C@H]1C ZINC001088874553 1087594151 /nfs/dbraw/zinc/59/41/51/1087594151.db2.gz KKDPMCBEGDVYNG-ACJLOTCBSA-N 0 3 312.388 3.358 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001483649165 1087603520 /nfs/dbraw/zinc/60/35/20/1087603520.db2.gz JMSBFNJVZXTNQV-MJGOQNOKSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001483649926 1087604220 /nfs/dbraw/zinc/60/42/20/1087604220.db2.gz PGLDPXZWKCMABV-UONOGXRCSA-N 0 3 319.449 3.131 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@H]1C ZINC001088923718 1087605445 /nfs/dbraw/zinc/60/54/45/1087605445.db2.gz QEVHGQONRXBDHP-CPUCHLNUSA-N 0 3 304.434 3.155 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)[C@H]1C ZINC001088964681 1087610995 /nfs/dbraw/zinc/61/09/95/1087610995.db2.gz LEBOSBMJBMBAFH-BEFAXECRSA-N 0 3 322.408 3.163 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(Cc2ccccc2)CC1 ZINC001483658866 1087611046 /nfs/dbraw/zinc/61/10/46/1087611046.db2.gz PFUUMGWMOBVEIZ-GOSISDBHSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001483668973 1087616627 /nfs/dbraw/zinc/61/66/27/1087616627.db2.gz NSFITUOULDZQKT-OAHLLOKOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(Cl)cccc2OC)[C@H]1C ZINC001089058198 1087628434 /nfs/dbraw/zinc/62/84/34/1087628434.db2.gz FAOWZOSTFQOYMR-OCCSQVGLSA-N 0 3 322.836 3.117 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2oc3c(cccc3C)c2C)[C@H]1C ZINC001089060276 1087628442 /nfs/dbraw/zinc/62/84/42/1087628442.db2.gz BYKHIJDEFANLBJ-WBVHZDCISA-N 0 3 324.424 3.266 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001483677508 1087634398 /nfs/dbraw/zinc/63/43/98/1087634398.db2.gz KUQPASQERHGUKL-AZUAARDMSA-N 0 3 314.473 3.412 20 30 DGEDHN CCCC(=O)N1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001089103178 1087639301 /nfs/dbraw/zinc/63/93/01/1087639301.db2.gz OGLBFZLHQIKHJA-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001483705628 1087682306 /nfs/dbraw/zinc/68/23/06/1087682306.db2.gz ITGBFUUHMVXFOZ-VNCLNFNDSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)SC ZINC001233771479 1087696561 /nfs/dbraw/zinc/69/65/61/1087696561.db2.gz RILIITYQIXVIIC-JKSUJKDBSA-N 0 3 312.523 3.407 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3ccccc3CC)CC2)C1=O ZINC001272422496 1087697819 /nfs/dbraw/zinc/69/78/19/1087697819.db2.gz QPMJZOICNNDZCZ-UHFFFAOYSA-N 0 3 312.457 3.250 20 30 DGEDHN CCCCCCCCN1CCC[C@@]12CCN([C@@H](C)C(C)=O)C2=O ZINC001272478799 1087725601 /nfs/dbraw/zinc/72/56/01/1087725601.db2.gz PVASWGVBGPZJCM-LPHOPBHVSA-N 0 3 322.493 3.391 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001158413622 1087826797 /nfs/dbraw/zinc/82/67/97/1087826797.db2.gz VOKSYSSEPIROGR-QGZVFWFLSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(OC)cc1C ZINC001158437802 1087837066 /nfs/dbraw/zinc/83/70/66/1087837066.db2.gz FJHPHNNRHHUSIP-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C[C@@](C#N)(Nc1ccc2c(n1)CCNC2)c1ccccc1Cl ZINC001158476958 1087857540 /nfs/dbraw/zinc/85/75/40/1087857540.db2.gz ORRIPSVUKUIZNZ-KRWDZBQOSA-N 0 3 312.804 3.232 20 30 DGEDHN CN1CCC(N(c2cc(Cl)cc(C#N)n2)C2CCCC2)CC1 ZINC001158488148 1087865304 /nfs/dbraw/zinc/86/53/04/1087865304.db2.gz KAIZDIGLKIUMNH-UHFFFAOYSA-N 0 3 318.852 3.450 20 30 DGEDHN C=C[C@H](C(=O)NCCNCc1csc(C)c1)c1ccccc1 ZINC001151998171 1087865722 /nfs/dbraw/zinc/86/57/22/1087865722.db2.gz QLWGOEOUPMIOEC-KRWDZBQOSA-N 0 3 314.454 3.232 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccc(C)o1 ZINC001158565140 1087916711 /nfs/dbraw/zinc/91/67/11/1087916711.db2.gz JQIRRDVDTZPLNB-JKSUJKDBSA-N 0 3 304.434 3.190 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)C/C=C/c1ccccc1 ZINC001152346340 1087957246 /nfs/dbraw/zinc/95/72/46/1087957246.db2.gz SGXKTMNPBATXNN-JIIJFUIFSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1oc(CC)cc1C ZINC001158744112 1088002048 /nfs/dbraw/zinc/00/20/48/1088002048.db2.gz BEHCDPCEPLEKPQ-OAHLLOKOSA-N 0 3 304.434 3.263 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)c1ccco1 ZINC001158751522 1088007676 /nfs/dbraw/zinc/00/76/76/1088007676.db2.gz VVMLBMXMEDVKQA-JKSUJKDBSA-N 0 3 304.434 3.272 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099214967 1088015171 /nfs/dbraw/zinc/01/51/71/1088015171.db2.gz OTLBIZNIPVXOFW-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1occ2c1CCCC2 ZINC001158794582 1088031501 /nfs/dbraw/zinc/03/15/01/1088031501.db2.gz UORFYQPFJNPRRI-MRXNPFEDSA-N 0 3 316.445 3.271 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](F)Cc1ccccc1 ZINC001158914056 1088095895 /nfs/dbraw/zinc/09/58/95/1088095895.db2.gz KMBFZZPHJGVEPP-MSOLQXFVSA-N 0 3 318.436 3.066 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001159021650 1088145902 /nfs/dbraw/zinc/14/59/02/1088145902.db2.gz XNADXXMCPAYHLP-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN C=C(C)CCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001159040010 1088156304 /nfs/dbraw/zinc/15/63/04/1088156304.db2.gz CVNBDDHXZABYQT-CYBMUJFWSA-N 0 3 310.388 3.478 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)CCc1csc(C)n1 ZINC001153626029 1088309281 /nfs/dbraw/zinc/30/92/81/1088309281.db2.gz VSLKNUDOBDWHDT-CQSZACIVSA-N 0 3 323.506 3.177 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCNCc1cccnc1)c1ccccc1 ZINC001153818168 1088370542 /nfs/dbraw/zinc/37/05/42/1088370542.db2.gz YTXMQNGDUCALJX-LJQANCHMSA-N 0 3 323.440 3.037 20 30 DGEDHN Cc1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c(/C=N/O)c1 ZINC001159595491 1088409794 /nfs/dbraw/zinc/40/97/94/1088409794.db2.gz MRTBYTUAVUYAQH-LKYUAURQSA-N 0 3 321.384 3.071 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(CC#N)ccn1 ZINC001159594238 1088410652 /nfs/dbraw/zinc/41/06/52/1088410652.db2.gz ATIDLIAHAKLHBD-ZDUSSCGKSA-N 0 3 303.369 3.020 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1C(C)(C)CC ZINC001153947980 1088417144 /nfs/dbraw/zinc/41/71/44/1088417144.db2.gz LGCWWZYFFXETAR-MRXNPFEDSA-N 0 3 314.473 3.448 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN(Cc3cccc(F)c3)CC2)C1=O ZINC001272653898 1088461102 /nfs/dbraw/zinc/46/11/02/1088461102.db2.gz QGLHVWWPQBDOCG-IBGZPJMESA-N 0 3 316.420 3.216 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(CCCC)cc1 ZINC001154220270 1088522051 /nfs/dbraw/zinc/52/20/51/1088522051.db2.gz HLHIXOJKOGDTNO-QGZVFWFLSA-N 0 3 314.473 3.493 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2=CCCCCC2)CC(C)(C)C1 ZINC001089372495 1088544308 /nfs/dbraw/zinc/54/43/08/1088544308.db2.gz OPPVEPUZCBLEEM-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCCC(=O)NCCC1=CCN(Cc2ccsc2)CC1 ZINC001159964459 1088578541 /nfs/dbraw/zinc/57/85/41/1088578541.db2.gz MLEPDVGGRMRVEG-UHFFFAOYSA-N 0 3 316.470 3.190 20 30 DGEDHN C=CCC1(C(=O)NCC2(NCc3cccc(C)c3)CC2)CCC1 ZINC001483765003 1088654482 /nfs/dbraw/zinc/65/44/82/1088654482.db2.gz SRYTZEAMUUMFIR-UHFFFAOYSA-N 0 3 312.457 3.480 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2occc2C(C)C)CC(C)(C)C1 ZINC001089472720 1088664149 /nfs/dbraw/zinc/66/41/49/1088664149.db2.gz NVXSTQWVSLWPQY-OAHLLOKOSA-N 0 3 316.445 3.257 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)OCCCCCC)CC1 ZINC001160142306 1088667582 /nfs/dbraw/zinc/66/75/82/1088667582.db2.gz FLHKWPIGHCYNFH-KRWDZBQOSA-N 0 3 322.493 3.296 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2occc2CC)CC(C)(C)C1 ZINC001089482698 1088677887 /nfs/dbraw/zinc/67/78/87/1088677887.db2.gz BKVXSORXNUPMBY-INIZCTEOSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)CC(C)(C)C1 ZINC001089552576 1088737920 /nfs/dbraw/zinc/73/79/20/1088737920.db2.gz OWCMVLREXCEQEI-INIZCTEOSA-N 0 3 324.424 3.286 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)CC(C)(C)C1 ZINC001089565826 1088751554 /nfs/dbraw/zinc/75/15/54/1088751554.db2.gz ZNIGVEQTWZPCDP-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC001160379620 1088769476 /nfs/dbraw/zinc/76/94/76/1088769476.db2.gz LLDQVQIFPFFZHJ-UHFFFAOYSA-N 0 3 324.468 3.334 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001089605064 1088806390 /nfs/dbraw/zinc/80/63/90/1088806390.db2.gz KSSJJWYQYRJQQA-MRXNPFEDSA-N 0 3 316.445 3.140 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(F)c(C)cc2F)CC1 ZINC001160444986 1088808337 /nfs/dbraw/zinc/80/83/37/1088808337.db2.gz ZGCCHBFSGMLZGY-UHFFFAOYSA-N 0 3 320.383 3.211 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001089608781 1088814021 /nfs/dbraw/zinc/81/40/21/1088814021.db2.gz AFSBLYWAUOGVKJ-MRXNPFEDSA-N 0 3 315.461 3.187 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cc(C)[nH]c1C ZINC001272675728 1088826187 /nfs/dbraw/zinc/82/61/87/1088826187.db2.gz PPFWTEGVRDDVJG-UHFFFAOYSA-N 0 3 323.440 3.017 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001089619562 1088831805 /nfs/dbraw/zinc/83/18/05/1088831805.db2.gz SJTXLIYMHXZZFL-OAHLLOKOSA-N 0 3 319.424 3.017 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)N(CC)CCc1csc(C)n1 ZINC001154957689 1088852464 /nfs/dbraw/zinc/85/24/64/1088852464.db2.gz NAEDWKDJVHTPJH-CQSZACIVSA-N 0 3 323.506 3.177 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001089634644 1088856423 /nfs/dbraw/zinc/85/64/23/1088856423.db2.gz DYFNERSLALZWIG-OAHLLOKOSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC(C)C)C1 ZINC001483802937 1088904820 /nfs/dbraw/zinc/90/48/20/1088904820.db2.gz XLHWLNKZPUQYCT-QZTJIDSGSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001483830579 1088933615 /nfs/dbraw/zinc/93/36/15/1088933615.db2.gz PHTLQVLLCCJUJV-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC001155192798 1089001540 /nfs/dbraw/zinc/00/15/40/1089001540.db2.gz BBPVPTACBALJCZ-RXEWJAMOSA-N 0 3 312.457 3.330 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001089657183 1089020898 /nfs/dbraw/zinc/02/08/98/1089020898.db2.gz ARUOOSCXMUKPRW-CVEARBPZSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CN[C@@H](C)c1ccccc1F ZINC001483927847 1089032090 /nfs/dbraw/zinc/03/20/90/1089032090.db2.gz QELXRAWNKBANQB-HOTGVXAUSA-N 0 3 316.420 3.271 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1ncc2c(c1C#N)CCCC2 ZINC001155256861 1089032637 /nfs/dbraw/zinc/03/26/37/1089032637.db2.gz SVWCBZXLGSAXEN-LBPRGKRZSA-N 0 3 317.396 3.191 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nccc(Oc2ccccc2)n1 ZINC001160953011 1089038204 /nfs/dbraw/zinc/03/82/04/1089038204.db2.gz MLRYVNTZKHAQQI-HNNXBMFYSA-N 0 3 310.401 3.331 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cc(OCc2ccccc2)cnn1 ZINC001160953701 1089039259 /nfs/dbraw/zinc/03/92/59/1089039259.db2.gz HJMNMHAZZOALKK-KRWDZBQOSA-N 0 3 324.428 3.118 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CO[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001483967277 1089057915 /nfs/dbraw/zinc/05/79/15/1089057915.db2.gz LBNVXPQIDULYNV-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN(C(=O)CCC1CCCC1)C1CCN(CC(=C)C)CC1 ZINC001483979006 1089064069 /nfs/dbraw/zinc/06/40/69/1089064069.db2.gz NDINJGXNVGMKHP-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNC[C@@H](F)CC)C2CCCC2)C1 ZINC001484009133 1089092785 /nfs/dbraw/zinc/09/27/85/1089092785.db2.gz KQXBWSLAIJTXRG-JKSUJKDBSA-N 0 3 310.457 3.355 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001155484463 1089130846 /nfs/dbraw/zinc/13/08/46/1089130846.db2.gz HOTXFGQBVGGETL-IEBWSBKVSA-N 0 3 314.473 3.276 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001484074166 1089159514 /nfs/dbraw/zinc/15/95/14/1089159514.db2.gz PLZFUEQXOQMECD-BEFAXECRSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001484068911 1089164673 /nfs/dbraw/zinc/16/46/73/1089164673.db2.gz YKQBHOCVNPOTTB-XLIONFOSSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001089690882 1089180106 /nfs/dbraw/zinc/18/01/06/1089180106.db2.gz VNQNSTYEVRMLGK-WMZOPIPTSA-N 0 3 312.457 3.119 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC1CCCC1)C(C)C ZINC001155602083 1089180298 /nfs/dbraw/zinc/18/02/98/1089180298.db2.gz RBUIOULPVMSJIT-AEFFLSMTSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001089691037 1089182520 /nfs/dbraw/zinc/18/25/20/1089182520.db2.gz IUQYSHAMSBOKBR-ZDUSSCGKSA-N 0 3 323.868 3.465 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(F)ccc2Cl)CC1 ZINC001161328323 1089196756 /nfs/dbraw/zinc/19/67/56/1089196756.db2.gz SBDWYIKDKGQCHV-UHFFFAOYSA-N 0 3 322.811 3.417 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001161411511 1089230653 /nfs/dbraw/zinc/23/06/53/1089230653.db2.gz UJTFNFVARVWUSU-MOPGFXCFSA-N 0 3 310.441 3.115 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccoc2C(C)C)C1 ZINC001484173255 1089255094 /nfs/dbraw/zinc/25/50/94/1089255094.db2.gz FFOVOISYLYQTAQ-LJQANCHMSA-N 0 3 316.445 3.258 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2ccccc2F)CC1 ZINC001161497241 1089262685 /nfs/dbraw/zinc/26/26/85/1089262685.db2.gz VCOMREDVIMYJHN-HNNXBMFYSA-N 0 3 316.420 3.254 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2cccs2)C1 ZINC001484176842 1089274394 /nfs/dbraw/zinc/27/43/94/1089274394.db2.gz XPFIFKVQGWDAHT-QGZVFWFLSA-N 0 3 306.475 3.085 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1ccccc1F ZINC001155857402 1089274259 /nfs/dbraw/zinc/27/42/59/1089274259.db2.gz RYQXNIVAQXJEDR-JKSUJKDBSA-N 0 3 318.436 3.169 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCCCc1cccs1 ZINC001155883914 1089286515 /nfs/dbraw/zinc/28/65/15/1089286515.db2.gz QGNVVUDDYSXFEX-MRXNPFEDSA-N 0 3 320.502 3.311 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C(CC)(CC)CC)CC1 ZINC001161566490 1089288617 /nfs/dbraw/zinc/28/86/17/1089288617.db2.gz KYNCBVCQQKTBKW-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001089717279 1089290825 /nfs/dbraw/zinc/29/08/25/1089290825.db2.gz XMAQSGLMHZWPRT-OAHLLOKOSA-N 0 3 319.449 3.088 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001484320980 1089328563 /nfs/dbraw/zinc/32/85/63/1089328563.db2.gz YXNKFPUHEXYTKK-MLRXNPTLSA-N 0 3 310.869 3.310 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001484325588 1089336281 /nfs/dbraw/zinc/33/62/81/1089336281.db2.gz WMACJADAIOFTBJ-MZEUMTGBSA-N 0 3 316.489 3.173 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(C)CCC1)c1ccccc1CC ZINC001484324418 1089337114 /nfs/dbraw/zinc/33/71/14/1089337114.db2.gz UPMNKWIFPILLEO-QGZVFWFLSA-N 0 3 300.446 3.372 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C(C)(C)CC(C)C)CC1 ZINC001161664837 1089337414 /nfs/dbraw/zinc/33/74/14/1089337414.db2.gz CCOZEXAMUHOGCA-UHFFFAOYSA-N 0 3 304.478 3.220 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC(C)(C)C)C1 ZINC001089766316 1089344498 /nfs/dbraw/zinc/34/44/98/1089344498.db2.gz MRZIXHOOURAFCR-VGWMRTNUSA-N 0 3 324.896 3.344 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](F)CCCCCC)CC1 ZINC001161699793 1089355367 /nfs/dbraw/zinc/35/53/67/1089355367.db2.gz ZEQNCRMDXLOQIM-GOSISDBHSA-N 0 3 322.468 3.457 20 30 DGEDHN C#Cc1ccccc1CC(=O)Nc1ccc(CN(C)C)cc1F ZINC001161700300 1089356085 /nfs/dbraw/zinc/35/60/85/1089356085.db2.gz WKVFTASPHAYEOZ-UHFFFAOYSA-N 0 3 310.372 3.050 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H](C)c2ccco2)CC1 ZINC001161709032 1089360374 /nfs/dbraw/zinc/36/03/74/1089360374.db2.gz GCCNFQBZSOABTI-OAHLLOKOSA-N 0 3 302.418 3.098 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@H](C)c2ccco2)CC1 ZINC001161709031 1089360996 /nfs/dbraw/zinc/36/09/96/1089360996.db2.gz GCCNFQBZSOABTI-HNNXBMFYSA-N 0 3 302.418 3.098 20 30 DGEDHN CN1CCN(c2ccc(N[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC001161718550 1089367118 /nfs/dbraw/zinc/36/71/18/1089367118.db2.gz PGGOOAVXJWSIRK-IBGZPJMESA-N 0 3 306.413 3.115 20 30 DGEDHN CN1CCN(c2ccc(N[C@H](C#N)c3ccccc3)cc2)CC1 ZINC001161718552 1089367274 /nfs/dbraw/zinc/36/72/74/1089367274.db2.gz PGGOOAVXJWSIRK-LJQANCHMSA-N 0 3 306.413 3.115 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(CC)c(CC)o2)CC1 ZINC001161722957 1089368693 /nfs/dbraw/zinc/36/86/93/1089368693.db2.gz HFJKFVRRKJLGDS-UHFFFAOYSA-N 0 3 316.445 3.342 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001161771458 1089395317 /nfs/dbraw/zinc/39/53/17/1089395317.db2.gz LBKZIXNDBOTEKH-MRXNPFEDSA-N 0 3 304.478 3.220 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001161814068 1089419998 /nfs/dbraw/zinc/41/99/98/1089419998.db2.gz QCSYEIKPASKLBH-UHFFFAOYSA-N 0 3 310.441 3.079 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C(C)(C)c2ccccc2)CC1 ZINC001161839638 1089433464 /nfs/dbraw/zinc/43/34/64/1089433464.db2.gz YFSYTCQQSLNTHM-UHFFFAOYSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCc2cccs2)CC1 ZINC001161843955 1089437505 /nfs/dbraw/zinc/43/75/05/1089437505.db2.gz GIOLKLLZQHLHJZ-UHFFFAOYSA-N 0 3 304.459 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001484516562 1089459557 /nfs/dbraw/zinc/45/95/57/1089459557.db2.gz WCWIPFWHGIBUIM-CYBMUJFWSA-N 0 3 314.832 3.365 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC001484536916 1089474929 /nfs/dbraw/zinc/47/49/29/1089474929.db2.gz VLOAQKZTULXCAJ-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2s1 ZINC001161941602 1089483692 /nfs/dbraw/zinc/48/36/92/1089483692.db2.gz NXRSWESEOGPQRA-UHFFFAOYSA-N 0 3 308.834 3.363 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1C=CC=CC=C1 ZINC001484553785 1089489224 /nfs/dbraw/zinc/48/92/24/1089489224.db2.gz IWWMAFBJRHHACU-UHFFFAOYSA-N 0 3 308.425 3.219 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(C)=C2CCC2)cc1 ZINC001484558387 1089492670 /nfs/dbraw/zinc/49/26/70/1089492670.db2.gz FJPFTIAUMRQHEV-MRXNPFEDSA-N 0 3 310.441 3.477 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001161968290 1089498296 /nfs/dbraw/zinc/49/82/96/1089498296.db2.gz NQVXDSFJFVBWMG-DZFIZOCASA-N 0 3 316.489 3.220 20 30 DGEDHN C#CCC1(C(=O)NCCC2=CCN(CC=C)CC2)CCCCC1 ZINC001161973394 1089502386 /nfs/dbraw/zinc/50/23/86/1089502386.db2.gz WKKYIIXEASVLPN-UHFFFAOYSA-N 0 3 314.473 3.285 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=CCCC1 ZINC001089796719 1089514014 /nfs/dbraw/zinc/51/40/14/1089514014.db2.gz WLUCGBFAQBXFTI-NXOAAHMSSA-N 0 3 320.864 3.018 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C=C1CCC1 ZINC001089796641 1089514146 /nfs/dbraw/zinc/51/41/46/1089514146.db2.gz UYZBFSHVACKVEW-YVSFHVDLSA-N 0 3 320.864 3.018 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CCCC)C(C)C)C2)CC1 ZINC001484581393 1089515817 /nfs/dbraw/zinc/51/58/17/1089515817.db2.gz DYLUZCMSOSQSQA-SFHVURJKSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001162011868 1089523313 /nfs/dbraw/zinc/52/33/13/1089523313.db2.gz LBXWXRWFNSFHMZ-UHFFFAOYSA-N 0 3 304.478 3.383 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCN(Cc3sccc3Cl)C2)C1=O ZINC001272685970 1089529404 /nfs/dbraw/zinc/52/94/04/1089529404.db2.gz ANFMRTACBITNGH-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN C[C@@H](C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001484614935 1089538667 /nfs/dbraw/zinc/53/86/67/1089538667.db2.gz JRWWUHPJSXCNJP-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001484647116 1089561751 /nfs/dbraw/zinc/56/17/51/1089561751.db2.gz FQAOQTWERIJQJN-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN N#Cc1c(F)ccnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC001156530988 1089563913 /nfs/dbraw/zinc/56/39/13/1089563913.db2.gz LPHHERYHGQKFTK-QGZVFWFLSA-N 0 3 310.376 3.341 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(Cl)nc2)CCC1 ZINC001484648622 1089565876 /nfs/dbraw/zinc/56/58/76/1089565876.db2.gz GVJRJXIPMPHJEZ-UHFFFAOYSA-N 0 3 321.852 3.220 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001156553485 1089581792 /nfs/dbraw/zinc/58/17/92/1089581792.db2.gz KTALYXZPHJLUJN-OAHLLOKOSA-N 0 3 300.446 3.058 20 30 DGEDHN CN1CC[C@H](Nc2nc3cc(F)ccc3c(Cl)c2C#N)C1 ZINC001156581553 1089593433 /nfs/dbraw/zinc/59/34/33/1089593433.db2.gz UNCSZDMGPPZZGF-JTQLQIEISA-N 0 3 304.756 3.015 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)n(C(C)C)c1C ZINC001156667890 1089632606 /nfs/dbraw/zinc/63/26/06/1089632606.db2.gz IUAMMTHRTJLBRI-UHFFFAOYSA-N 0 3 305.466 3.266 20 30 DGEDHN C=CCn1cc2ccc(NC(=O)[C@@H](CC)N(CC)CC)cc2n1 ZINC001156690182 1089649011 /nfs/dbraw/zinc/64/90/11/1089649011.db2.gz FPZCKYMBOXPVBM-QGZVFWFLSA-N 0 3 314.433 3.281 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CCCc1ccc(C)cc1 ZINC001484755857 1089663971 /nfs/dbraw/zinc/66/39/71/1089663971.db2.gz HKHGVKWKTLCXAT-UHFFFAOYSA-N 0 3 314.473 3.121 20 30 DGEDHN C=CCCCC(=O)N1CCC(CC)(NCc2nocc2C)CC1 ZINC001484815605 1089693532 /nfs/dbraw/zinc/69/35/32/1089693532.db2.gz QEWCPTHTEITIJA-UHFFFAOYSA-N 0 3 319.449 3.200 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CCC)C(C)C)C2 ZINC001484830476 1089696072 /nfs/dbraw/zinc/69/60/72/1089696072.db2.gz LVKRQLMLEYLIFW-IEBWSBKVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)Cc2ccc(C)o2)cc1 ZINC001272691078 1089711653 /nfs/dbraw/zinc/71/16/53/1089711653.db2.gz INEOAGYTXAEKFW-INIZCTEOSA-N 0 3 324.424 3.121 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C=C\c2ccc[nH]2)cc1 ZINC001272691495 1089712877 /nfs/dbraw/zinc/71/28/77/1089712877.db2.gz LYMYMPRJHAVUEI-JNSOCZORSA-N 0 3 321.424 3.018 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccoc2CC)cc1 ZINC001272691221 1089713050 /nfs/dbraw/zinc/71/30/50/1089713050.db2.gz JJNGGTFSJDGCPS-OAHLLOKOSA-N 0 3 324.424 3.446 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@@]34C[C@@H]3CCN4)n2)cc1Cl ZINC001212343029 1089722249 /nfs/dbraw/zinc/72/22/49/1089722249.db2.gz GGZBVFUOQMQIAQ-RMLUDKJBSA-N 0 3 321.167 3.124 20 30 DGEDHN C[C@H]1CN(C(=O)CCCC2CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001484896018 1089732623 /nfs/dbraw/zinc/73/26/23/1089732623.db2.gz WOQSKOHVRGTXCQ-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C23CCC(CC2)C3)cc1 ZINC001272692385 1089751953 /nfs/dbraw/zinc/75/19/53/1089751953.db2.gz UJODSPNFZFJBPJ-SHPPYHEDSA-N 0 3 310.441 3.167 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C(C)(C)C1 ZINC001484943389 1089775521 /nfs/dbraw/zinc/77/55/21/1089775521.db2.gz XZFKEWXYENIRNP-IAGOWNOFSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C(CC)(CC)c1ccccc1 ZINC001157047088 1089799446 /nfs/dbraw/zinc/79/94/46/1089799446.db2.gz LEPHUDHTQBSDTI-QGZVFWFLSA-N 0 3 314.473 3.204 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC#CC)[C@H](C)C2)CCCC1 ZINC001484987936 1089806092 /nfs/dbraw/zinc/80/60/92/1089806092.db2.gz MBVAPICOFNCLMA-IAGOWNOFSA-N 0 3 302.462 3.115 20 30 DGEDHN Cc1ccccc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001484987287 1089807225 /nfs/dbraw/zinc/80/72/25/1089807225.db2.gz UBWAJAJBGPKDJO-INIZCTEOSA-N 0 3 321.424 3.165 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001485003714 1089839831 /nfs/dbraw/zinc/83/98/31/1089839831.db2.gz GAYBEBWZHSGDMV-GOSISDBHSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001485067206 1089900350 /nfs/dbraw/zinc/90/03/50/1089900350.db2.gz JOCVJRYFSYBJRX-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C#CC(C)C)cs1 ZINC001485057712 1089907053 /nfs/dbraw/zinc/90/70/53/1089907053.db2.gz XRIDKHQXUDVNCD-KRWDZBQOSA-N 0 3 318.486 3.139 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1oc(C(F)F)cc1C ZINC001485059585 1089908993 /nfs/dbraw/zinc/90/89/93/1089908993.db2.gz KLYIAQHTKUCMRO-GFCCVEGCSA-N 0 3 312.360 3.248 20 30 DGEDHN CCCC[C@H](C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001157378204 1089936702 /nfs/dbraw/zinc/93/67/02/1089936702.db2.gz GHVXTDCEVVJJKS-AWEZNQCLSA-N 0 3 319.424 3.120 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cccc2[nH]c(C#N)cc21 ZINC001162764842 1089939653 /nfs/dbraw/zinc/93/96/53/1089939653.db2.gz AOXAAXQQPRDZBV-LLVKDONJSA-N 0 3 301.353 3.398 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001162892548 1090011147 /nfs/dbraw/zinc/01/11/47/1090011147.db2.gz OLUARLWNEHJQHO-IAGOWNOFSA-N 0 3 320.452 3.075 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2scnc2C)CCC1 ZINC001485191061 1090022625 /nfs/dbraw/zinc/02/26/25/1090022625.db2.gz SSJDFQRVCJOCON-STQMWFEESA-N 0 3 321.490 3.181 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC[C@@H](C)CC ZINC001162960495 1090036124 /nfs/dbraw/zinc/03/61/24/1090036124.db2.gz UXRWRYAVXDRIKV-SFHVURJKSA-N 0 3 314.473 3.107 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1c(C)coc1C ZINC001485251047 1090047450 /nfs/dbraw/zinc/04/74/50/1090047450.db2.gz FHTGGOWDOXDYKG-UHFFFAOYSA-N 0 3 312.841 3.337 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccc(CO)cc3)C2)c1 ZINC001203192372 1090048272 /nfs/dbraw/zinc/04/82/72/1090048272.db2.gz GYBRYDZAUUOHBO-HXUWFJFHSA-N 0 3 322.408 3.094 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157648178 1090057497 /nfs/dbraw/zinc/05/74/97/1090057497.db2.gz DEYLJZKKWZRNFC-ZWKOTPCHSA-N 0 3 322.493 3.247 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CC(C)(C)CNCC(=C)Cl)cc1 ZINC001485256869 1090063304 /nfs/dbraw/zinc/06/33/04/1090063304.db2.gz HOIWHVZSPMDMRE-UHFFFAOYSA-N 0 3 318.848 3.108 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001157710409 1090084213 /nfs/dbraw/zinc/08/42/13/1090084213.db2.gz HZCIIKNEJZKJKC-SXSDINLZSA-N 0 3 322.493 3.104 20 30 DGEDHN CC(C)c1ccc(C#N)c(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001157758969 1090101400 /nfs/dbraw/zinc/10/14/00/1090101400.db2.gz GLFWQGVXFZFANN-SFHVURJKSA-N 0 3 306.413 3.228 20 30 DGEDHN N#Cc1nc(N[C@@H]2CNCc3ccsc32)ccc1C(F)(F)F ZINC001163220581 1090120644 /nfs/dbraw/zinc/12/06/44/1090120644.db2.gz SXDIVRGFHXSRCA-LLVKDONJSA-N 0 3 324.331 3.290 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](CC)Cc1ccccc1C ZINC001485373691 1090133897 /nfs/dbraw/zinc/13/38/97/1090133897.db2.gz VAAWYLXESLFHKE-DLBZAZTESA-N 0 3 302.462 3.186 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)CC)C1 ZINC001089849338 1090135634 /nfs/dbraw/zinc/13/56/34/1090135634.db2.gz BPLTXCJEBKKTPW-VGWMRTNUSA-N 0 3 324.896 3.344 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1CN(C)Cc1ccccc1 ZINC001157885461 1090139313 /nfs/dbraw/zinc/13/93/13/1090139313.db2.gz WOVNHAVMQNPACM-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272699874 1090172732 /nfs/dbraw/zinc/17/27/32/1090172732.db2.gz PAKRTHRLNPQNBK-LJQANCHMSA-N 0 3 317.477 3.494 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)CCOC1CCC1 ZINC001158018692 1090173103 /nfs/dbraw/zinc/17/31/03/1090173103.db2.gz HHOLHOKGJRNZBS-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1coc2ccc(CC)cc21 ZINC001158144011 1090189915 /nfs/dbraw/zinc/18/99/15/1090189915.db2.gz FFXTWYJNMZETFE-UHFFFAOYSA-N 0 3 320.820 3.457 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001485520241 1090201110 /nfs/dbraw/zinc/20/11/10/1090201110.db2.gz WOZPXQDFNWOZLT-QGZVFWFLSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cscc1C(F)F ZINC001158217340 1090202480 /nfs/dbraw/zinc/20/24/80/1090202480.db2.gz MMOFFPNYZNCQOQ-UHFFFAOYSA-N 0 3 308.781 3.148 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)(C)C)C[C@H]2C1 ZINC001485652706 1090228093 /nfs/dbraw/zinc/22/80/93/1090228093.db2.gz DRIWTJHZKGGEDM-SOUVJXGZSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001163687689 1090233740 /nfs/dbraw/zinc/23/37/40/1090233740.db2.gz ZHGXWRLAYXUENK-UHFFFAOYSA-N 0 3 324.827 3.096 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3(CC(C)C)CCC3)C2)C1 ZINC001485661608 1090234178 /nfs/dbraw/zinc/23/41/78/1090234178.db2.gz FTGXBGCDPBYGGV-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001485691661 1090237732 /nfs/dbraw/zinc/23/77/32/1090237732.db2.gz SCKZGLREFSTHBI-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC001163712410 1090240513 /nfs/dbraw/zinc/24/05/13/1090240513.db2.gz YICXOFBWVBWQBJ-GFCCVEGCSA-N 0 3 300.431 3.453 20 30 DGEDHN C=CCCC(=O)NCCC1(CNCc2nc(C)c(C)s2)CC1 ZINC001163746500 1090248079 /nfs/dbraw/zinc/24/80/79/1090248079.db2.gz NJLUHQIJKQRWNE-UHFFFAOYSA-N 0 3 321.490 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001485732859 1090253135 /nfs/dbraw/zinc/25/31/35/1090253135.db2.gz PGLBIFUBBWXITP-OAHLLOKOSA-N 0 3 313.445 3.145 20 30 DGEDHN C=CCCCCCCN1CCC[C@]12CCN([C@@H](C)C(C)=O)C2=O ZINC001272701759 1090294620 /nfs/dbraw/zinc/29/46/20/1090294620.db2.gz LLHKCOHUSCKTJF-QFBILLFUSA-N 0 3 320.477 3.167 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCNCc1nc(C(C)(C)C)cs1 ZINC001163963504 1090300481 /nfs/dbraw/zinc/30/04/81/1090300481.db2.gz BKODKOQMTZOQMF-UHFFFAOYSA-N 0 3 323.506 3.249 20 30 DGEDHN C#CCCCCCC(=O)NCCCNCc1cc(F)ccc1F ZINC001163963808 1090300552 /nfs/dbraw/zinc/30/05/52/1090300552.db2.gz KXQKEHMGBKKJGM-UHFFFAOYSA-N 0 3 322.399 3.144 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc3[nH]ccc3c2)C1=O ZINC001272707309 1090309787 /nfs/dbraw/zinc/30/97/87/1090309787.db2.gz POHWGHCQNBFRIP-HXUWFJFHSA-N 0 3 323.440 3.311 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2c[nH]c3ccc(C)cc23)C1=O ZINC001272731733 1090336248 /nfs/dbraw/zinc/33/62/48/1090336248.db2.gz RRXGEDVFUAPPCA-HXUWFJFHSA-N 0 3 323.440 3.229 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001164222831 1090377355 /nfs/dbraw/zinc/37/73/55/1090377355.db2.gz NHFAHEWMUXYZKC-QWHCGFSZSA-N 0 3 310.388 3.019 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001127764099 1090430790 /nfs/dbraw/zinc/43/07/90/1090430790.db2.gz TWWFCMZDBKPLDJ-QFBILLFUSA-N 0 3 312.457 3.370 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001164494755 1090432759 /nfs/dbraw/zinc/43/27/59/1090432759.db2.gz QSEMNZQXNZBHPV-ZIAGYGMSSA-N 0 3 316.848 3.143 20 30 DGEDHN C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107424396 1090435004 /nfs/dbraw/zinc/43/50/04/1090435004.db2.gz LYZGVIZNPPNVME-ZBIGIVEOSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2N(C/C=C/Cl)CC3)C1 ZINC001107543414 1090458391 /nfs/dbraw/zinc/45/83/91/1090458391.db2.gz IDELWDSXVLFIEB-VCQYFWEWSA-N 0 3 322.880 3.456 20 30 DGEDHN CCN1CCCC[C@@H]1c1ccc(N2C[C@H](F)C[C@@H]2C#N)nc1 ZINC001165192932 1090477514 /nfs/dbraw/zinc/47/75/14/1090477514.db2.gz INOGKHYJWRSMQE-BZUAXINKSA-N 0 3 302.397 3.069 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107930455 1090541553 /nfs/dbraw/zinc/54/15/53/1090541553.db2.gz IZDWDJVNFHPRBT-HNAYVOBHSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)c(Cl)c1 ZINC001165747977 1090544044 /nfs/dbraw/zinc/54/40/44/1090544044.db2.gz BAFVZDZOZPVODH-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2ccncc2Cl)CCC1 ZINC001165998371 1090568319 /nfs/dbraw/zinc/56/83/19/1090568319.db2.gz SUPOGFPJMYHXLU-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2c(C)oc(C)c2C)CC1 ZINC001166050669 1090572710 /nfs/dbraw/zinc/57/27/10/1090572710.db2.gz JMYRKASGOYBXRE-UHFFFAOYSA-N 0 3 324.852 3.447 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001107965548 1090573073 /nfs/dbraw/zinc/57/30/73/1090573073.db2.gz ZHQPWBWUKUMTRM-APWZRJJASA-N 0 3 322.493 3.008 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCNCc2ccc(F)cc2Cl)C1 ZINC001166248909 1090592902 /nfs/dbraw/zinc/59/29/02/1090592902.db2.gz JJBYKJLUOFADQB-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCNCc2cccc(Cl)c2F)C1 ZINC001166249171 1090593014 /nfs/dbraw/zinc/59/30/14/1090593014.db2.gz PMCYICFILQKQTD-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001128085204 1090645374 /nfs/dbraw/zinc/64/53/74/1090645374.db2.gz NHCOTQUBFUNPQG-UHFFFAOYSA-N 0 3 324.827 3.453 20 30 DGEDHN C=CCC(CC=C)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001128088123 1090647994 /nfs/dbraw/zinc/64/79/94/1090647994.db2.gz ODKOXMOQVLEXHE-CQSZACIVSA-N 0 3 304.409 3.361 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCC1(CNCc2ccns2)CC1 ZINC001166770457 1090654110 /nfs/dbraw/zinc/65/41/10/1090654110.db2.gz YJEVQSZNSRTSEE-AWEZNQCLSA-N 0 3 321.490 3.122 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2occc2CC)CC1 ZINC001167035713 1090699502 /nfs/dbraw/zinc/69/95/02/1090699502.db2.gz NJCICXZPZNOQTB-UHFFFAOYSA-N 0 3 310.825 3.084 20 30 DGEDHN N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932006 1090702577 /nfs/dbraw/zinc/70/25/77/1090702577.db2.gz HNIWQHMPEZCMSQ-QGZVFWFLSA-N 0 3 317.458 3.009 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2sccc2C)C1=O ZINC001272934466 1090704425 /nfs/dbraw/zinc/70/44/25/1090704425.db2.gz QNIYSUKLAVDDRB-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001485892318 1090720962 /nfs/dbraw/zinc/72/09/62/1090720962.db2.gz OFNQGURRPDINTL-PKOBYXMFSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@@H](CN(C)C(=O)[C@@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001485892315 1090721358 /nfs/dbraw/zinc/72/13/58/1090721358.db2.gz OFNQGURRPDINTL-HKUYNNGSSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H](C)NCc1cc(F)cc(F)c1 ZINC001485911079 1090724565 /nfs/dbraw/zinc/72/45/65/1090724565.db2.gz AIOSHDMEPRKEBX-AWEZNQCLSA-N 0 3 322.399 3.095 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2ccsc2)CCC1 ZINC001485919814 1090727242 /nfs/dbraw/zinc/72/72/42/1090727242.db2.gz MKOIUBPGOZJJHM-CQSZACIVSA-N 0 3 306.475 3.431 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2ccc(Cl)nc2)C1 ZINC001485919990 1090728131 /nfs/dbraw/zinc/72/81/31/1090728131.db2.gz KMQHJRFNAWRAKN-CYBMUJFWSA-N 0 3 321.852 3.028 20 30 DGEDHN CCCCCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001485952127 1090732904 /nfs/dbraw/zinc/73/29/04/1090732904.db2.gz UVGWTNRQNBWAPE-GOSISDBHSA-N 0 3 314.473 3.445 20 30 DGEDHN CCCC(=O)N1CC[C@H](NCC#Cc2ccccc2Cl)[C@H]1C ZINC001486069614 1090742005 /nfs/dbraw/zinc/74/20/05/1090742005.db2.gz ILEMGKDBWKOVKH-PBHICJAKSA-N 0 3 318.848 3.071 20 30 DGEDHN CC(C(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C)=C1CCC1 ZINC001486079052 1090749713 /nfs/dbraw/zinc/74/97/13/1090749713.db2.gz KHUPQQJYLHHASD-YLJYHZDGSA-N 0 3 322.452 3.118 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCC2(C)CC2)C12CCC2 ZINC001203569726 1090758505 /nfs/dbraw/zinc/75/85/05/1090758505.db2.gz DPOMARUXVKFPIP-KGLIPLIRSA-N 0 3 310.869 3.336 20 30 DGEDHN CCc1ccccc1CN1CCC[C@H](NC(=O)C#CC2CC2)[C@H]1C ZINC001486173817 1090773776 /nfs/dbraw/zinc/77/37/76/1090773776.db2.gz NGHROQQVPXQQAA-UZLBHIALSA-N 0 3 324.468 3.132 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOC2CCC2)[C@H]1C ZINC001486180322 1090777842 /nfs/dbraw/zinc/77/78/42/1090777842.db2.gz LULARLULPCCDKX-DOTOQJQBSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001486180325 1090777917 /nfs/dbraw/zinc/77/79/17/1090777917.db2.gz LULARLULPCCDKX-WBVHZDCISA-N 0 3 322.493 3.127 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001203758195 1090797307 /nfs/dbraw/zinc/79/73/07/1090797307.db2.gz TZKGZLPLBZAJPH-MOPGFXCFSA-N 0 3 320.392 3.294 20 30 DGEDHN N#Cc1cccc(C2CCN(Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203883003 1090826171 /nfs/dbraw/zinc/82/61/71/1090826171.db2.gz ZLBHZESEYIWUAR-UHFFFAOYSA-N 0 3 308.381 3.349 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)CCC[C@@]1(O)C(F)(F)F ZINC001203900107 1090833466 /nfs/dbraw/zinc/83/34/66/1090833466.db2.gz RZVICQLTDFHXOX-WFASDCNBSA-N 0 3 312.335 3.084 20 30 DGEDHN CC(C)(C)OC(=O)C[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001203904737 1090834441 /nfs/dbraw/zinc/83/44/41/1090834441.db2.gz CRSNSQMTYXHMDF-MRXNPFEDSA-N 0 3 300.402 3.112 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001203905834 1090835538 /nfs/dbraw/zinc/83/55/38/1090835538.db2.gz DWCLQBWNAZNXKL-FQEVSTJZSA-N 0 3 317.392 3.473 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001486442333 1090841210 /nfs/dbraw/zinc/84/12/10/1090841210.db2.gz MBMTZUXSXAHJHT-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)CCCCC)CC1 ZINC001486441112 1090841297 /nfs/dbraw/zinc/84/12/97/1090841297.db2.gz GTKRDYARIMRVJX-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1csc(C)c1 ZINC001128190089 1090894847 /nfs/dbraw/zinc/89/48/47/1090894847.db2.gz JVUCQLOVLIKNRA-UHFFFAOYSA-N 0 3 300.855 3.041 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC001272964173 1090934261 /nfs/dbraw/zinc/93/42/61/1090934261.db2.gz ATROJZUKAKVGSP-KRWDZBQOSA-N 0 3 324.424 3.337 20 30 DGEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2ccccc2o1 ZINC001272964795 1090935207 /nfs/dbraw/zinc/93/52/07/1090935207.db2.gz OKPFBLDZHLAPQY-IAGOWNOFSA-N 0 3 310.397 3.184 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(C(C)C)cc2)C1=O ZINC001272969221 1090941540 /nfs/dbraw/zinc/94/15/40/1090941540.db2.gz OLWGLMWFCQVIKH-HXUWFJFHSA-N 0 3 310.441 3.010 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(F)c(Cl)c3)C2)C1=O ZINC001272989011 1090967181 /nfs/dbraw/zinc/96/71/81/1090967181.db2.gz YOKYKBICMCMKMC-KRWDZBQOSA-N 0 3 322.811 3.090 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3sccc3C#N)c2)CC1 ZINC001204491724 1090980921 /nfs/dbraw/zinc/98/09/21/1090980921.db2.gz UVYHMWMGNFKYBT-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccc(CC#N)cc3)cc2)CC1 ZINC001204747291 1091027772 /nfs/dbraw/zinc/02/77/72/1091027772.db2.gz PZFWDTRMTVPUMM-UHFFFAOYSA-N 0 3 320.440 3.244 20 30 DGEDHN C#Cc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)cc1F ZINC001204765615 1091033007 /nfs/dbraw/zinc/03/30/07/1091033007.db2.gz JBZVGPRVGWBAAV-UHFFFAOYSA-N 0 3 323.415 3.298 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2CC[C@H](C)c2ccc(C)o2)C1=O ZINC001273126709 1091064502 /nfs/dbraw/zinc/06/45/02/1091064502.db2.gz WPAYFHHJAHKQJZ-HNAYVOBHSA-N 0 3 316.445 3.335 20 30 DGEDHN C#Cc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1 ZINC001205089848 1091099767 /nfs/dbraw/zinc/09/97/67/1091099767.db2.gz VTVMQAIMJNQHIN-UHFFFAOYSA-N 0 3 304.437 3.294 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108149350 1091153924 /nfs/dbraw/zinc/15/39/24/1091153924.db2.gz UWAFHOWBRABGQV-QFBILLFUSA-N 0 3 324.509 3.232 20 30 DGEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)cc1Cl ZINC001138473567 1091196129 /nfs/dbraw/zinc/19/61/29/1091196129.db2.gz UOAUTDYOTPMOQZ-CQSZACIVSA-N 0 3 309.818 3.123 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CNCc2csc(C)n2)CC1 ZINC001205407582 1091213272 /nfs/dbraw/zinc/21/32/72/1091213272.db2.gz RQXXWJRYJAGQOR-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001276393849 1091215245 /nfs/dbraw/zinc/21/52/45/1091215245.db2.gz UFXPGFJFIJHETN-AWEZNQCLSA-N 0 3 308.853 3.056 20 30 DGEDHN C#CCOc1ccc(CN2CCC[C@H](Oc3cccnc3)C2)cc1 ZINC001138558673 1091228576 /nfs/dbraw/zinc/22/85/76/1091228576.db2.gz DPAXMXZOBVLUFZ-FQEVSTJZSA-N 0 3 322.408 3.137 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@H](Oc3cccc(C)n3)C2)cc1 ZINC001138560742 1091230833 /nfs/dbraw/zinc/23/08/33/1091230833.db2.gz LERMZGIAIVUMDQ-IBGZPJMESA-N 0 3 322.408 3.055 20 30 DGEDHN C=CCc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1[O-] ZINC001138628353 1091260305 /nfs/dbraw/zinc/26/03/05/1091260305.db2.gz STAZIAVSVYWQSQ-UHFFFAOYSA-N 0 3 311.381 3.481 20 30 DGEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1[O-] ZINC001138628353 1091260308 /nfs/dbraw/zinc/26/03/08/1091260308.db2.gz STAZIAVSVYWQSQ-UHFFFAOYSA-N 0 3 311.381 3.481 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](C(=O)OCC)[C@H]2C)c1[O-] ZINC001138628485 1091260837 /nfs/dbraw/zinc/26/08/37/1091260837.db2.gz VIXNSKDJYYRGGV-PBHICJAKSA-N 0 3 317.429 3.284 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](C(=O)OCC)[C@H]2C)c1[O-] ZINC001138628485 1091260843 /nfs/dbraw/zinc/26/08/43/1091260843.db2.gz VIXNSKDJYYRGGV-PBHICJAKSA-N 0 3 317.429 3.284 20 30 DGEDHN C=CCc1cccc(CN2CCN(C)c3nc(C)ccc3C2)c1O ZINC001138627544 1091260981 /nfs/dbraw/zinc/26/09/81/1091260981.db2.gz LWWPBAPNKZNRDP-UHFFFAOYSA-N 0 3 323.440 3.276 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCN(C)c3nc(C)ccc3C2)c1[O-] ZINC001138627544 1091260985 /nfs/dbraw/zinc/26/09/85/1091260985.db2.gz LWWPBAPNKZNRDP-UHFFFAOYSA-N 0 3 323.440 3.276 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c1[O-] ZINC001138627544 1091260993 /nfs/dbraw/zinc/26/09/93/1091260993.db2.gz LWWPBAPNKZNRDP-UHFFFAOYSA-N 0 3 323.440 3.276 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCN(c3ccc(C)cn3)CC2)c1[O-] ZINC001138628127 1091261651 /nfs/dbraw/zinc/26/16/51/1091261651.db2.gz OYLWFDZQGDXSRS-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=CCc1cccc(CN2CCN(c3ccc(C)cn3)CC2)c1O ZINC001138628127 1091261661 /nfs/dbraw/zinc/26/16/61/1091261661.db2.gz OYLWFDZQGDXSRS-UHFFFAOYSA-N 0 3 323.440 3.146 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@H]1CC(=O)OC ZINC001138665535 1091280359 /nfs/dbraw/zinc/28/03/59/1091280359.db2.gz OWVLDZBTXBUYKA-INIZCTEOSA-N 0 3 303.402 3.169 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC[C@](C)(C(=O)OC)C1 ZINC001138666553 1091282805 /nfs/dbraw/zinc/28/28/05/1091282805.db2.gz XJSHROWNMSOYGQ-SFHVURJKSA-N 0 3 303.402 3.027 20 30 DGEDHN C=C(C)COc1ccccc1CN1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001138667445 1091283139 /nfs/dbraw/zinc/28/31/39/1091283139.db2.gz XOOSXJPOFYGQRY-MRXNPFEDSA-N 0 3 315.413 3.027 20 30 DGEDHN Cc1cccnc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001205807497 1091357321 /nfs/dbraw/zinc/35/73/21/1091357321.db2.gz OEQRQIZKULKZMR-GOSISDBHSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1[nH]c(C)cc1C ZINC001273185475 1091358709 /nfs/dbraw/zinc/35/87/09/1091358709.db2.gz WBGVHONFLQPIBP-LJQANCHMSA-N 0 3 315.461 3.165 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)OCC)[C@H]1C ZINC001139029932 1091424588 /nfs/dbraw/zinc/42/45/88/1091424588.db2.gz WUKMRHARVGDFON-WBVHZDCISA-N 0 3 317.429 3.415 20 30 DGEDHN C=CCN(Cc1cnc(N2CCOCC2)s1)C1CCCCC1 ZINC001139050077 1091429245 /nfs/dbraw/zinc/42/92/45/1091429245.db2.gz ZKCLCBFKQVLGGE-UHFFFAOYSA-N 0 3 321.490 3.300 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3csc4ccccc34)[C@@H]2C1 ZINC001084556345 1091504662 /nfs/dbraw/zinc/50/46/62/1091504662.db2.gz LVLGOWIPJHMDRH-RHSMWYFYSA-N 0 3 324.449 3.071 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4cc(O)ccc4c3)CCC2S1 ZINC001139336475 1091523296 /nfs/dbraw/zinc/52/32/96/1091523296.db2.gz PPZXUQICXFDZGE-QGZVFWFLSA-N 0 3 311.406 3.320 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084634849 1091523584 /nfs/dbraw/zinc/52/35/84/1091523584.db2.gz GTHJHTKRSLQDHJ-QWFCFKBJSA-N 0 3 312.457 3.322 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(F)ccc3Cl)[C@@H]2C1 ZINC001084681630 1091533833 /nfs/dbraw/zinc/53/38/33/1091533833.db2.gz VHFCTXZNCKQYIA-MLGOLLRUSA-N 0 3 322.811 3.202 20 30 DGEDHN C=C(C)CN(CC)Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001139386375 1091540085 /nfs/dbraw/zinc/54/00/85/1091540085.db2.gz YBJMKHNXQRGCFT-HOTGVXAUSA-N 0 3 303.450 3.093 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108193816 1091551225 /nfs/dbraw/zinc/55/12/25/1091551225.db2.gz NKTOABXAFMQVJG-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@@H](F)CC3CCCCC3)[C@@H]2C1 ZINC001084777068 1091560496 /nfs/dbraw/zinc/56/04/96/1091560496.db2.gz INUAKEFBADSIBR-FGTMMUONSA-N 0 3 322.468 3.404 20 30 DGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC001139528788 1091587288 /nfs/dbraw/zinc/58/72/88/1091587288.db2.gz YIPDJZIBUSNKRY-AEFFLSMTSA-N 0 3 302.393 3.336 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001316658928 1091601163 /nfs/dbraw/zinc/60/11/63/1091601163.db2.gz AMHWWENCGHXPPF-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3ccccc3C3CC3)CC2)C1=O ZINC001273239895 1091607705 /nfs/dbraw/zinc/60/77/05/1091607705.db2.gz XADFFIXGILITST-UHFFFAOYSA-N 0 3 322.452 3.012 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(C)c3)C[C@@H]21 ZINC001085045191 1091648738 /nfs/dbraw/zinc/64/87/38/1091648738.db2.gz ZLYPPVHWFLELER-NSHGMRRFSA-N 0 3 324.468 3.045 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C[C@@H]21 ZINC001085044101 1091648880 /nfs/dbraw/zinc/64/88/80/1091648880.db2.gz ATMXIIOXKSZNJW-NJAFHUGGSA-N 0 3 316.420 3.196 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)C3CCCCC3)C[C@@H]21 ZINC001085055367 1091652625 /nfs/dbraw/zinc/65/26/25/1091652625.db2.gz DXGNUIQZQFPRGY-UHOSZYNNSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3F)C[C@@H]21 ZINC001085058912 1091653637 /nfs/dbraw/zinc/65/36/37/1091653637.db2.gz XKMVTTLZSSLPCM-DAYGRLMNSA-N 0 3 316.420 3.038 20 30 DGEDHN CCCNC(=O)c1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000822933076 1091674809 /nfs/dbraw/zinc/67/48/09/1091674809.db2.gz JIHACCAHEBRRAE-AWEZNQCLSA-N 0 3 301.434 3.244 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC001085219398 1091717779 /nfs/dbraw/zinc/71/77/79/1091717779.db2.gz WARSETNMBFPABJ-JHJVBQTASA-N 0 3 320.811 3.191 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001085245025 1091722824 /nfs/dbraw/zinc/72/28/24/1091722824.db2.gz IHCMSZRFLVNGNN-GYMHETDLSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2ccccc21 ZINC001085316457 1091744456 /nfs/dbraw/zinc/74/44/56/1091744456.db2.gz IZEKPSKKTVVGDO-BRWVUGGUSA-N 0 3 318.848 3.096 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2cccs2)CC1 ZINC001161206780 1091768892 /nfs/dbraw/zinc/76/88/92/1091768892.db2.gz OEOUWWUKBFDOER-CQSZACIVSA-N 0 3 304.459 3.176 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H](Oc4ccncc4)C3)c2c1 ZINC001140116026 1091772391 /nfs/dbraw/zinc/77/23/91/1091772391.db2.gz ORQZHTXOKNLBRB-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H](Oc4ccncc4)C3)c2c1 ZINC001140116025 1091773288 /nfs/dbraw/zinc/77/32/88/1091773288.db2.gz ORQZHTXOKNLBRB-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(CCC)s2)C1=O ZINC001273340687 1091816473 /nfs/dbraw/zinc/81/64/73/1091816473.db2.gz GVUQEZSNHNHTHP-SFHVURJKSA-N 0 3 318.486 3.454 20 30 DGEDHN CC1/C(=C/c2ccc3c(c2)CCC(C)(C)O3)C(=O)c2ncnn21 ZINC000828330316 1091821968 /nfs/dbraw/zinc/82/19/68/1091821968.db2.gz ISFIVBZMWUCDMS-RLIURORJSA-N 0 3 309.369 3.223 20 30 DGEDHN N#CCCN(Cc1ccccc1-c1cnc(N)nc1)C1CCCC1 ZINC001140324047 1091825659 /nfs/dbraw/zinc/82/56/59/1091825659.db2.gz XMGBBNMCDKTHNF-UHFFFAOYSA-N 0 3 321.428 3.384 20 30 DGEDHN N#Cc1ccc(CC2CCN(Cc3cccc(=O)[nH]3)CC2)cc1 ZINC001207071166 1091837534 /nfs/dbraw/zinc/83/75/34/1091837534.db2.gz MIOMNCJLSBVGND-UHFFFAOYSA-N 0 3 307.397 3.114 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636411 1091865249 /nfs/dbraw/zinc/86/52/49/1091865249.db2.gz QCVOFVQUDPMZSW-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN Cc1ncccc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001207153889 1091865542 /nfs/dbraw/zinc/86/55/42/1091865542.db2.gz ISWTXQVKFLEHHM-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1C1(C)CC1 ZINC001297373322 1091870834 /nfs/dbraw/zinc/87/08/34/1091870834.db2.gz RVJMRQIARAPAHB-UHFFFAOYSA-N 0 3 300.446 3.318 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001297380464 1091872878 /nfs/dbraw/zinc/87/28/78/1091872878.db2.gz ZLISKQFZOUFCFO-KBPBESRZSA-N 0 3 322.399 3.035 20 30 DGEDHN C=CCN(CCN1CC[C@@]2(CC2(F)F)C1)C(=O)OC(C)(C)C ZINC001207206258 1091887439 /nfs/dbraw/zinc/88/74/39/1091887439.db2.gz TYWOCVFEEHTRSN-OAHLLOKOSA-N 0 3 316.392 3.141 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207221504 1091891407 /nfs/dbraw/zinc/89/14/07/1091891407.db2.gz GUFYFFCRKVFGSZ-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccnc1C(F)F ZINC001085712646 1091895754 /nfs/dbraw/zinc/89/57/54/1091895754.db2.gz PJWHQVIEIJHHNL-ZDUSSCGKSA-N 0 3 323.387 3.132 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001085725327 1091898184 /nfs/dbraw/zinc/89/81/84/1091898184.db2.gz SMCKTNRVMCTQIF-INIZCTEOSA-N 0 3 306.837 3.371 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)nc2)[C@@H](C)CN1Cc1ccccc1 ZINC001140539849 1091902469 /nfs/dbraw/zinc/90/24/69/1091902469.db2.gz BDGLCQSXWQEVIK-SJORKVTESA-N 0 3 320.440 3.048 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nc2ccccc2cc1C ZINC001085730932 1091902906 /nfs/dbraw/zinc/90/29/06/1091902906.db2.gz MICLIEDACDNDGZ-QGZVFWFLSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCC1(F)F ZINC001085741257 1091908360 /nfs/dbraw/zinc/90/83/60/1091908360.db2.gz LAZCLMZPMADJOY-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN COC(=O)C(C)(C)CN(Cc1cccc(F)c1C#N)CC(C)C ZINC001207313989 1091920278 /nfs/dbraw/zinc/92/02/78/1091920278.db2.gz KVQZROGPVUHKPE-UHFFFAOYSA-N 0 3 320.408 3.355 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1OC ZINC001085786158 1091934483 /nfs/dbraw/zinc/93/44/83/1091934483.db2.gz IGAKWEBOVDHOPB-AWEZNQCLSA-N 0 3 322.836 3.071 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085792271 1091936508 /nfs/dbraw/zinc/93/65/08/1091936508.db2.gz FOROFGQSZRNJCO-QGZVFWFLSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085835916 1091960515 /nfs/dbraw/zinc/96/05/15/1091960515.db2.gz XBTOROWUFHGSAG-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1F ZINC001085833590 1091963745 /nfs/dbraw/zinc/96/37/45/1091963745.db2.gz NADUYUTZKZAHSN-AWEZNQCLSA-N 0 3 322.399 3.386 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1C ZINC001085845900 1091976904 /nfs/dbraw/zinc/97/69/04/1091976904.db2.gz XZMIZHQIQCRCFI-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085855339 1091983388 /nfs/dbraw/zinc/98/33/88/1091983388.db2.gz VYIUEURNWUWOPF-SFHVURJKSA-N 0 3 311.429 3.052 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2ccccc2n1 ZINC001085940075 1092027728 /nfs/dbraw/zinc/02/77/28/1092027728.db2.gz YCBOOHGCEDAQKH-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001207586945 1092032458 /nfs/dbraw/zinc/03/24/58/1092032458.db2.gz CYHGIALDVWWIMX-SJLPKXTDSA-N 0 3 312.457 3.022 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085945739 1092034220 /nfs/dbraw/zinc/03/42/20/1092034220.db2.gz QAPZWXRYLINELU-LBPRGKRZSA-N 0 3 312.866 3.432 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001207627928 1092047948 /nfs/dbraw/zinc/04/79/48/1092047948.db2.gz CSGJRTNVDCHABJ-CABCVRRESA-N 0 3 304.409 3.434 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001085963937 1092061288 /nfs/dbraw/zinc/06/12/88/1092061288.db2.gz UMJYORYLNNRWBO-LJQANCHMSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3csc(Cl)c3)C2)C1=O ZINC001273384754 1092089543 /nfs/dbraw/zinc/08/95/43/1092089543.db2.gz TZSZMVVXLATGQZ-HNNXBMFYSA-N 0 3 310.850 3.012 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108235232 1092110234 /nfs/dbraw/zinc/11/02/34/1092110234.db2.gz UDZMYLWMDQAVGX-PKOBYXMFSA-N 0 3 324.509 3.375 20 30 DGEDHN CCCCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001273394402 1092117196 /nfs/dbraw/zinc/11/71/96/1092117196.db2.gz YUVJXXIFNOGSIO-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCc2ccc(Cl)cc2)C1 ZINC001207854917 1092121761 /nfs/dbraw/zinc/12/17/61/1092121761.db2.gz SLUBXPKLWACPOM-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001086084078 1092128385 /nfs/dbraw/zinc/12/83/85/1092128385.db2.gz BMVLCYZCWPEARV-SCUASFONSA-N 0 3 322.836 3.254 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001086121063 1092137274 /nfs/dbraw/zinc/13/72/74/1092137274.db2.gz ABQJAMBAFNJLMF-PMOUVXMZSA-N 0 3 324.877 3.089 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC(C)(F)F)C12CCC2 ZINC001203095867 1092143725 /nfs/dbraw/zinc/14/37/25/1092143725.db2.gz VBFOIWLCPAFBGY-RYUDHWBXSA-N 0 3 320.811 3.191 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001086156985 1092146251 /nfs/dbraw/zinc/14/62/51/1092146251.db2.gz ZFJHTFWURDBWOI-XLNGHYISSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001086245098 1092177052 /nfs/dbraw/zinc/17/70/52/1092177052.db2.gz ORRROQDVNHOLEA-PHIMTYICSA-N 0 3 323.849 3.080 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccoc2CCC)C1 ZINC001086253250 1092180284 /nfs/dbraw/zinc/18/02/84/1092180284.db2.gz XSAWMFJUIQBBCV-BETUJISGSA-N 0 3 310.825 3.083 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001086265030 1092184736 /nfs/dbraw/zinc/18/47/36/1092184736.db2.gz MCRKKNDFXQTKHN-BDDJCUOMSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001086268803 1092186902 /nfs/dbraw/zinc/18/69/02/1092186902.db2.gz YNXYUKNPBZBMCD-BETUJISGSA-N 0 3 312.866 3.215 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491569403 1092187713 /nfs/dbraw/zinc/18/77/13/1092187713.db2.gz XJTOKGXJRCPIFC-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2cnccc2C)CC1 ZINC001273417228 1092191090 /nfs/dbraw/zinc/19/10/90/1092191090.db2.gz FLGFETQYGUIWOW-SFHVURJKSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)CC1 ZINC001208169803 1092237609 /nfs/dbraw/zinc/23/76/09/1092237609.db2.gz ABKMIXOXSWFHFG-KFWWJZLASA-N 0 3 303.368 3.392 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001086436301 1092250575 /nfs/dbraw/zinc/25/05/75/1092250575.db2.gz CREXZONLEMJFET-JHJNDJDLSA-N 0 3 310.869 3.050 20 30 DGEDHN Cc1ccc2cc(CN3CCC4SC(=O)C=C4C3)ccc2n1 ZINC001141475375 1092251215 /nfs/dbraw/zinc/25/12/15/1092251215.db2.gz FCPQGAUHSJMNEV-QGZVFWFLSA-N 0 3 310.422 3.317 20 30 DGEDHN Cc1ccc2cc(CN3CC[C@H]4SC(=O)C=C4C3)ccc2n1 ZINC001141475375 1092251229 /nfs/dbraw/zinc/25/12/29/1092251229.db2.gz FCPQGAUHSJMNEV-QGZVFWFLSA-N 0 3 310.422 3.317 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC001491873358 1092265641 /nfs/dbraw/zinc/26/56/41/1092265641.db2.gz FFYPUDCSLLWLSS-HOTGVXAUSA-N 0 3 319.449 3.165 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3occc3s2)C1 ZINC001086476189 1092267239 /nfs/dbraw/zinc/26/72/39/1092267239.db2.gz BQYIYOYNQNBVRM-XYPYZODXSA-N 0 3 324.833 3.345 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001086484712 1092267833 /nfs/dbraw/zinc/26/78/33/1092267833.db2.gz KPUQVWHBEAMVNY-MQMHXKEQSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)C=C2CCC2)cc1 ZINC001491900078 1092283449 /nfs/dbraw/zinc/28/34/49/1092283449.db2.gz YTDFDMXFCJQWDF-UHFFFAOYSA-N 0 3 318.848 3.298 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001491959625 1092324368 /nfs/dbraw/zinc/32/43/68/1092324368.db2.gz NSELIJHGXISHHI-QZTJIDSGSA-N 0 3 322.468 3.241 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001208477722 1092369427 /nfs/dbraw/zinc/36/94/27/1092369427.db2.gz QIPWAKMPKSSTSA-SJLPKXTDSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#Cc3ccccc3)s2)CC[C@@H]1O ZINC001141973067 1092372435 /nfs/dbraw/zinc/37/24/35/1092372435.db2.gz XBCCZDUSIWQDMR-KXBFYZLASA-N 0 3 311.450 3.351 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccccc1Cl ZINC001492116051 1092387583 /nfs/dbraw/zinc/38/75/83/1092387583.db2.gz PQUDKPHLAIMHCY-NSHDSACASA-N 0 3 301.217 3.191 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1cccs1 ZINC001492083308 1092399315 /nfs/dbraw/zinc/39/93/15/1092399315.db2.gz JYEOGNDDKSBGPV-NWDGAFQWSA-N 0 3 300.855 3.089 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001208585199 1092412255 /nfs/dbraw/zinc/41/22/55/1092412255.db2.gz VUYBUMFOPXJESH-YIEHMZNDSA-N 0 3 312.457 3.493 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001492172375 1092423825 /nfs/dbraw/zinc/42/38/25/1092423825.db2.gz YMCZMNXKHIXBDD-HRCADAONSA-N 0 3 310.869 3.146 20 30 DGEDHN CN(CCOCCOCc1ccccc1)Cc1cccc(C#N)c1 ZINC001208753041 1092491245 /nfs/dbraw/zinc/49/12/45/1092491245.db2.gz BYFOGNDMHJOQHT-UHFFFAOYSA-N 0 3 324.424 3.223 20 30 DGEDHN C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001316673631 1092526639 /nfs/dbraw/zinc/52/66/39/1092526639.db2.gz GKDTVVQEVZHCRK-RDJZCZTQSA-N 0 3 316.445 3.189 20 30 DGEDHN N#Cc1ccc(CCN2CCC(O)(c3ccccc3F)CC2)cc1 ZINC001208926680 1092589194 /nfs/dbraw/zinc/58/91/94/1092589194.db2.gz YFHLHBMOXDEVSS-UHFFFAOYSA-N 0 3 324.399 3.223 20 30 DGEDHN Cc1cccc(OC2CCN(CCc3ccc(C#N)cc3)CC2)n1 ZINC001208930083 1092591437 /nfs/dbraw/zinc/59/14/37/1092591437.db2.gz ZPXCRAKGYCDAHE-UHFFFAOYSA-N 0 3 321.424 3.348 20 30 DGEDHN CC(C)C(=O)N[C@@H](C)CCCCNCc1cc(F)ccc1C#N ZINC001169257279 1092619590 /nfs/dbraw/zinc/61/95/90/1092619590.db2.gz BHJXIISXMZRLIX-AWEZNQCLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCN(CCN(CC)Cc1cccc(F)c1)C(=O)OCC ZINC001209020942 1092625901 /nfs/dbraw/zinc/62/59/01/1092625901.db2.gz PXTRLTWWWMESHF-UHFFFAOYSA-N 0 3 308.397 3.292 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209052092 1092635007 /nfs/dbraw/zinc/63/50/07/1092635007.db2.gz LYHVYYMMWMPEFK-ZPBCLNFZSA-N 0 3 322.452 3.141 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209052085 1092635195 /nfs/dbraw/zinc/63/51/95/1092635195.db2.gz LYHVYYMMWMPEFK-LVSKKATPSA-N 0 3 322.452 3.141 20 30 DGEDHN C=CCCCN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001209162502 1092677857 /nfs/dbraw/zinc/67/78/57/1092677857.db2.gz HEZAQSHNSLVJSL-UHFFFAOYSA-N 0 3 320.234 3.462 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209192861 1092690043 /nfs/dbraw/zinc/69/00/43/1092690043.db2.gz CREPXQRWQPAFMW-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001209198066 1092691643 /nfs/dbraw/zinc/69/16/43/1092691643.db2.gz NIUBMIGWPRNXAJ-LZLYRXPVSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001149854986 1092737950 /nfs/dbraw/zinc/73/79/50/1092737950.db2.gz SLPLFEWDUXJLFX-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001209334565 1092738088 /nfs/dbraw/zinc/73/80/88/1092738088.db2.gz FNQLMGQYBSCGCU-OAHLLOKOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCCCCCCN1Cc2ccnn2C[C@@H](COC)C1 ZINC001209439449 1092775294 /nfs/dbraw/zinc/77/52/94/1092775294.db2.gz QDNPYWFKXDZDCT-KRWDZBQOSA-N 0 3 305.466 3.488 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)CCCCCC)C1 ZINC001150461670 1092782359 /nfs/dbraw/zinc/78/23/59/1092782359.db2.gz GZWLCPAHGYESCH-QZTJIDSGSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](C)CCCCCC)C1 ZINC001150461669 1092784004 /nfs/dbraw/zinc/78/40/04/1092784004.db2.gz GZWLCPAHGYESCH-MSOLQXFVSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001209530728 1092811881 /nfs/dbraw/zinc/81/18/81/1092811881.db2.gz PJVHPRIGBFVLOC-HDMKZQKVSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001150793616 1092826060 /nfs/dbraw/zinc/82/60/60/1092826060.db2.gz FHXPTPGNNWPCOG-QZTJIDSGSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CC[C@H](C)CC)CC1 ZINC001151363611 1092890561 /nfs/dbraw/zinc/89/05/61/1092890561.db2.gz ZOJQCYMQOSMHRA-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001210226627 1093085474 /nfs/dbraw/zinc/08/54/74/1093085474.db2.gz SEUXLDJCOGCXMT-BHIYHBOVSA-N 0 3 314.473 3.439 20 30 DGEDHN CC1(CCC(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001210465331 1093177667 /nfs/dbraw/zinc/17/76/67/1093177667.db2.gz UEMNYFCRQYJOGR-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C/C=C(/C)C=C)[C@H](OC)C1 ZINC001213295300 1093559605 /nfs/dbraw/zinc/55/96/05/1093559605.db2.gz SJWCOWOTSYIEAY-FGRIUMGMSA-N 0 3 320.477 3.071 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001213295248 1093559663 /nfs/dbraw/zinc/55/96/63/1093559663.db2.gz ROPFFVRSGCMTBW-FGRIUMGMSA-N 0 3 322.493 3.295 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@H](OC)C1 ZINC001213423206 1093584978 /nfs/dbraw/zinc/58/49/78/1093584978.db2.gz NKJVSCSKCVEMTB-IAGOWNOFSA-N 0 3 324.509 3.208 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2CN(CCCC)C[C@H]2OC)CCCCC1 ZINC001213561954 1093612616 /nfs/dbraw/zinc/61/26/16/1093612616.db2.gz WRNNVSNJUZYXCP-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)[C@H](OC)C1 ZINC001213934152 1093683029 /nfs/dbraw/zinc/68/30/29/1093683029.db2.gz LGBBDOCHIKYDDB-KZNAEPCWSA-N 0 3 324.509 3.230 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CCC(C)C)[C@H]2C1 ZINC001217281047 1094359159 /nfs/dbraw/zinc/35/91/59/1094359159.db2.gz VVYZEBLTDVFREH-ZWKOTPCHSA-N 0 3 324.509 3.305 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001120372231 1094416485 /nfs/dbraw/zinc/41/64/85/1094416485.db2.gz BKBQLKWJZXQLSI-IRXDYDNUSA-N 0 3 322.880 3.101 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(=C)Cl)C1 ZINC001120383085 1094419811 /nfs/dbraw/zinc/41/98/11/1094419811.db2.gz TVAMGSORENVMMW-IRXDYDNUSA-N 0 3 322.880 3.245 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCC(=C)Br ZINC001135353095 1094499993 /nfs/dbraw/zinc/49/99/93/1094499993.db2.gz BZRZYPAGSNPBMD-OLZOCXBDSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135357285 1094500699 /nfs/dbraw/zinc/50/06/99/1094500699.db2.gz AHVQMJVFLSEALT-STQMWFEESA-N 0 3 307.438 3.021 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OCCC(c1ccccc1)c1ccccc1 ZINC001217832779 1094502330 /nfs/dbraw/zinc/50/23/30/1094502330.db2.gz QDSVYRNDPLGTKZ-QUCCMNQESA-N 0 3 306.409 3.337 20 30 DGEDHN C=CCCC(=O)NC1CC2(CC(NC/C(Cl)=C/Cl)C2)C1 ZINC001120812725 1094530460 /nfs/dbraw/zinc/53/04/60/1094530460.db2.gz GRBFYIOODYHGKR-LUAWRHEFSA-N 0 3 317.260 3.289 20 30 DGEDHN O=C(/C=C/c1ccccc1)c1ccccc1O[C@@H]1CNC[C@@H]1F ZINC001218000131 1094550928 /nfs/dbraw/zinc/55/09/28/1094550928.db2.gz RTHKFBHBXJVDNC-WEMREZNISA-N 0 3 311.356 3.271 20 30 DGEDHN CCCCCC[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135547052 1094571896 /nfs/dbraw/zinc/57/18/96/1094571896.db2.gz HSSRJXMTGJGTCQ-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135560867 1094577321 /nfs/dbraw/zinc/57/73/21/1094577321.db2.gz MKENOFGUXYNBBX-QWHCGFSZSA-N 0 3 323.506 3.427 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135565363 1094579299 /nfs/dbraw/zinc/57/92/99/1094579299.db2.gz UGTMHULKBLAZIF-OLZOCXBDSA-N 0 3 321.465 3.267 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CC)C1 ZINC001103386051 1094603085 /nfs/dbraw/zinc/60/30/85/1094603085.db2.gz XZAKNJQFDOLNHT-TZMCWYRMSA-N 0 3 300.874 3.249 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001086751342 1094613541 /nfs/dbraw/zinc/61/35/41/1094613541.db2.gz JNTOEWKBDREYFU-LSDHHAIUSA-N 0 3 324.852 3.445 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001103417159 1094620162 /nfs/dbraw/zinc/62/01/62/1094620162.db2.gz MHTNRJIRWDDIFH-GFOCRRMGSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001103443597 1094630028 /nfs/dbraw/zinc/63/00/28/1094630028.db2.gz BQALLELGMUDLBE-KGYLQXTDSA-N 0 3 322.827 3.104 20 30 DGEDHN CCC(CC)(CC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001135826364 1094697519 /nfs/dbraw/zinc/69/75/19/1094697519.db2.gz RLXISNUKKIFJQU-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121609941 1094726423 /nfs/dbraw/zinc/72/64/23/1094726423.db2.gz HIEQVPCRBPIYMZ-HOUHCIJLSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001493108383 1094730595 /nfs/dbraw/zinc/73/05/95/1094730595.db2.gz OPKHZGOOZYUHCX-QAPCUYQASA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@H](CCCCCC)Oc1ccnc2c3c(nn21)CCNC3 ZINC001218354113 1094732033 /nfs/dbraw/zinc/73/20/33/1094732033.db2.gz BNQMSJWLTBACEU-CQSZACIVSA-N 0 3 314.433 3.279 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(C)cc2F)C1 ZINC001086811160 1094774048 /nfs/dbraw/zinc/77/40/48/1094774048.db2.gz AJQXLYGYUGJFMO-UONOGXRCSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1C ZINC001103872930 1094781683 /nfs/dbraw/zinc/78/16/83/1094781683.db2.gz VKZSDJYEHWYWNO-FVQBIDKESA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC001121947600 1094838774 /nfs/dbraw/zinc/83/87/74/1094838774.db2.gz POMMPRKASDKHSO-VXGBXAGGSA-N 0 3 303.431 3.157 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1C ZINC001104148860 1094888340 /nfs/dbraw/zinc/88/83/40/1094888340.db2.gz ZCJMFHSSQAPTHM-TZMCWYRMSA-N 0 3 312.885 3.249 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NCc1cc(N)cc(F)c1 ZINC001122200685 1094924768 /nfs/dbraw/zinc/92/47/68/1094924768.db2.gz HELCGTIEOQAQJA-INIZCTEOSA-N 0 3 309.429 3.102 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC001122215311 1094928412 /nfs/dbraw/zinc/92/84/12/1094928412.db2.gz VWQANYSQFKYMRH-OAHLLOKOSA-N 0 3 309.841 3.024 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](CC)CCCC)[C@@H](O)C1 ZINC001219240276 1094954314 /nfs/dbraw/zinc/95/43/14/1094954314.db2.gz HMCAPCLKCZHXGK-KSZLIROESA-N 0 3 324.509 3.111 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4cccc(Cl)c4C3)CCC2S1 ZINC001170931682 1094957307 /nfs/dbraw/zinc/95/73/07/1094957307.db2.gz RWNNATKLZWQQCP-BBRMVZONSA-N 0 3 319.857 3.471 20 30 DGEDHN O=C1C=C2CN([C@H]3CCc4cccc(Cl)c4C3)CC[C@@H]2S1 ZINC001170931682 1094957317 /nfs/dbraw/zinc/95/73/17/1094957317.db2.gz RWNNATKLZWQQCP-BBRMVZONSA-N 0 3 319.857 3.471 20 30 DGEDHN CC(C)(C)[C@@H](N)C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310592 1094961321 /nfs/dbraw/zinc/96/13/21/1094961321.db2.gz JZDAPQXWHPUPMF-HNNXBMFYSA-N 0 3 302.494 3.227 20 30 DGEDHN CC(C)[C@@H](N)C(=O)Nc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001219483176 1094981699 /nfs/dbraw/zinc/98/16/99/1094981699.db2.gz QLGVSBXCHALNII-OAHLLOKOSA-N 0 3 322.912 3.491 20 30 DGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111859140 1094991790 /nfs/dbraw/zinc/99/17/90/1094991790.db2.gz QBROGLUFMRWCMG-ZFWWWQNUSA-N 0 3 318.383 3.266 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCc2cccc(N)c2C1 ZINC001122545935 1095003823 /nfs/dbraw/zinc/00/38/23/1095003823.db2.gz MRMMLFJJRDWXPA-SFHVURJKSA-N 0 3 317.477 3.231 20 30 DGEDHN C=CCO[C@@H]1CCN(CCOc2ccccc2C(F)(F)F)C1 ZINC001337649349 1095048580 /nfs/dbraw/zinc/04/85/80/1095048580.db2.gz IIBXZQZSTIEOPK-CYBMUJFWSA-N 0 3 315.335 3.361 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(O)c4ccccc34)CCC2S1 ZINC001138056737 1095095887 /nfs/dbraw/zinc/09/58/87/1095095887.db2.gz XYOXGUBVQQPUHO-KRWDZBQOSA-N 0 3 311.406 3.320 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001220469248 1095102395 /nfs/dbraw/zinc/10/23/95/1095102395.db2.gz POACHBOMECZIEA-YESZJQIVSA-N 0 3 304.409 3.262 20 30 DGEDHN N=C(N[C@@H]1CCc2c(Cl)cccc2C1)c1ccc(F)cn1 ZINC001171017717 1095134972 /nfs/dbraw/zinc/13/49/72/1095134972.db2.gz KKEARLXZEWKFQX-GFCCVEGCSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)C[C@@H](C)CCCCCC)[C@@H](O)C1 ZINC001220744646 1095148209 /nfs/dbraw/zinc/14/82/09/1095148209.db2.gz NXEBQXISBINGDQ-KSZLIROESA-N 0 3 324.509 3.111 20 30 DGEDHN N#CCOc1cccc(CNCc2cccc3cccnc32)c1 ZINC000113347180 1095156359 /nfs/dbraw/zinc/15/63/59/1095156359.db2.gz GFVGTIGXJQUUGW-UHFFFAOYSA-N 0 3 303.365 3.427 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NCC(C)(C)c1cccc(C)n1 ZINC001220995063 1095183152 /nfs/dbraw/zinc/18/31/52/1095183152.db2.gz QTPOGZFXXFDFEZ-INIZCTEOSA-N 0 3 317.477 3.248 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccc(F)cc1F ZINC001123234668 1095197273 /nfs/dbraw/zinc/19/72/73/1095197273.db2.gz ZVGMHHBNQTUBSU-NSHDSACASA-N 0 3 323.730 3.161 20 30 DGEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001221229101 1095217521 /nfs/dbraw/zinc/21/75/21/1095217521.db2.gz OQTBNZNEHAPHIO-HUUCEWRRSA-N 0 3 304.459 3.169 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(F)cn2)CCCCC1 ZINC001115442566 1095221257 /nfs/dbraw/zinc/22/12/57/1095221257.db2.gz FGKKZGJXTJGEHD-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCCCC1 ZINC001115469888 1095235467 /nfs/dbraw/zinc/23/54/67/1095235467.db2.gz LPLQTDBSSYZPKZ-FICVDOATSA-N 0 3 310.869 3.194 20 30 DGEDHN N#Cc1cccc2c1CC[C@H]2Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171062758 1095235714 /nfs/dbraw/zinc/23/57/14/1095235714.db2.gz NEYJPCCPTGCDLS-MRXNPFEDSA-N 0 3 320.352 3.169 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC001123337271 1095245943 /nfs/dbraw/zinc/24/59/43/1095245943.db2.gz PLCWPMUEVSHLPI-JTQLQIEISA-N 0 3 301.312 3.448 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2conc2C)CCCCC1 ZINC001115557199 1095276871 /nfs/dbraw/zinc/27/68/71/1095276871.db2.gz YYIFDPCCDZITEP-UHFFFAOYSA-N 0 3 319.449 3.248 20 30 DGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3coc(C)n3)[C@@H]2C1 ZINC001221501637 1095285530 /nfs/dbraw/zinc/28/55/30/1095285530.db2.gz FLMLWCYAESABPX-NVXWUHKLSA-N 0 3 319.449 3.100 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cocc2C)CCCCC1 ZINC001115672753 1095328405 /nfs/dbraw/zinc/32/84/05/1095328405.db2.gz SCAHENWEXKBEGW-UHFFFAOYSA-N 0 3 310.825 3.363 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](F)C(C)C)CCCCC1 ZINC001115678585 1095330129 /nfs/dbraw/zinc/33/01/29/1095330129.db2.gz MFENLMBBGFKQFC-ZDUSSCGKSA-N 0 3 304.837 3.142 20 30 DGEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(CC[C@H](C)F)C[C@H]32)CC1 ZINC001221795421 1095358702 /nfs/dbraw/zinc/35/87/02/1095358702.db2.gz YTDCHFNRXTVERC-ARFHVFGLSA-N 0 3 308.441 3.014 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001221944325 1095397138 /nfs/dbraw/zinc/39/71/38/1095397138.db2.gz JOGKERWHIKVXKQ-BRWVUGGUSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(CC(C)C)C(C)C ZINC001338851915 1095411901 /nfs/dbraw/zinc/41/19/01/1095411901.db2.gz QBVXZLZKKOVOMF-INIZCTEOSA-N 0 3 319.497 3.144 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](CCCC)C(C)C)[C@@H]2C1 ZINC001222057893 1095416977 /nfs/dbraw/zinc/41/69/77/1095416977.db2.gz GDGUXRZYNZDGIY-FGTMMUONSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CC[C@@H](C)F)C[C@H]32)CCCC1 ZINC001222150920 1095458799 /nfs/dbraw/zinc/45/87/99/1095458799.db2.gz AOWQSIRJVDDTRR-BRWVUGGUSA-N 0 3 322.468 3.404 20 30 DGEDHN CCCC[C@@H](CC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001123936710 1095488909 /nfs/dbraw/zinc/48/89/09/1095488909.db2.gz QCVAKIABFHCWKW-OAHLLOKOSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)c(C)c1Cl ZINC001171152291 1095568771 /nfs/dbraw/zinc/56/87/71/1095568771.db2.gz CMUKYKIKDPFKGH-UHFFFAOYSA-N 0 3 315.244 3.419 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)NC1CC(C#N)(c2ccccc2)C1 ZINC001116721855 1095642098 /nfs/dbraw/zinc/64/20/98/1095642098.db2.gz UTLFISLWNJFCEI-ASFAAARLSA-N 0 3 314.429 3.320 20 30 DGEDHN Cc1cccn2cc(CN[C@H](C)Cc3cccc(C#N)c3)nc12 ZINC001171186448 1095665814 /nfs/dbraw/zinc/66/58/14/1095665814.db2.gz WCOZZSKPRVSWMS-OAHLLOKOSA-N 0 3 304.397 3.235 20 30 DGEDHN C#Cc1ccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001144578961 1095714712 /nfs/dbraw/zinc/71/47/12/1095714712.db2.gz ULHOOLCGCWEEHY-SFHVURJKSA-N 0 3 304.437 3.374 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC001339787510 1095731497 /nfs/dbraw/zinc/73/14/97/1095731497.db2.gz GDLWMVFZEOMBNB-WMLDXEAASA-N 0 3 304.434 3.335 20 30 DGEDHN N#Cc1cccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)c1 ZINC001144718375 1095779219 /nfs/dbraw/zinc/77/92/19/1095779219.db2.gz JPKCSGWRTJVLFG-UHFFFAOYSA-N 0 3 316.408 3.362 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC001339918993 1095779308 /nfs/dbraw/zinc/77/93/08/1095779308.db2.gz DPSQTJMHGPBRDK-CYBMUJFWSA-N 0 3 316.323 3.232 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC001339985922 1095801865 /nfs/dbraw/zinc/80/18/65/1095801865.db2.gz MAVVIZJEXONIAX-GJZGRUSLSA-N 0 3 320.408 3.228 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC001339985043 1095803029 /nfs/dbraw/zinc/80/30/29/1095803029.db2.gz GXMOVSFTDQPRMJ-DOTOQJQBSA-N 0 3 318.486 3.311 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC001339996055 1095803942 /nfs/dbraw/zinc/80/39/42/1095803942.db2.gz MWPGPLGNFYYLTC-AWEZNQCLSA-N 0 3 324.371 3.251 20 30 DGEDHN CCCCCCC[C@H](C)CNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001339996108 1095805027 /nfs/dbraw/zinc/80/50/27/1095805027.db2.gz NRCJTWNUNOTJJZ-GJZGRUSLSA-N 0 3 320.481 3.403 20 30 DGEDHN CCc1noc(C2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)n1 ZINC001171223308 1095826164 /nfs/dbraw/zinc/82/61/64/1095826164.db2.gz MIEAGUDVEAMIJL-CQSZACIVSA-N 0 3 324.428 3.314 20 30 DGEDHN CC(C)(C)C#CC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223148829 1095883160 /nfs/dbraw/zinc/88/31/60/1095883160.db2.gz RQHKCUZQTQHLHK-UHFFFAOYSA-N 0 3 318.486 3.126 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3[nH]ccc3s2)C1 ZINC001091345415 1095909142 /nfs/dbraw/zinc/90/91/42/1095909142.db2.gz OHFFJZCLVGERHN-UHFFFAOYSA-N 0 3 323.849 3.080 20 30 DGEDHN C=C[C@H](O[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)N2C)c1ccccc1 ZINC001223309991 1095930982 /nfs/dbraw/zinc/93/09/82/1095930982.db2.gz BVZVYMDTDKKWIA-QXCZDIPSSA-N 0 3 315.413 3.097 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2coc3ccccc23)C1 ZINC001091392726 1095931729 /nfs/dbraw/zinc/93/17/29/1095931729.db2.gz SGRFUYVCYDSPMW-UHFFFAOYSA-N 0 3 318.804 3.283 20 30 DGEDHN C=C(C)CCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223353419 1095947783 /nfs/dbraw/zinc/94/77/83/1095947783.db2.gz PVMYOJARTOXPIF-UHFFFAOYSA-N 0 3 306.372 3.123 20 30 DGEDHN N#Cc1ccnc(CO[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001223359930 1095948603 /nfs/dbraw/zinc/94/86/03/1095948603.db2.gz COJHKQDPRFTKRF-LJQANCHMSA-N 0 3 307.397 3.134 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001276884089 1095949822 /nfs/dbraw/zinc/94/98/22/1095949822.db2.gz PBNKCGJVIPCBDX-KGLIPLIRSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC001340638472 1095996294 /nfs/dbraw/zinc/99/62/94/1095996294.db2.gz ZRFQLNOYCXULSV-HNNXBMFYSA-N 0 3 319.836 3.164 20 30 DGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCCC2)[C@@H](n2cncn2)C1 ZINC001118431370 1096009372 /nfs/dbraw/zinc/00/93/72/1096009372.db2.gz RZXQYEIYCPLPME-OAGGEKHMSA-N 0 3 301.438 3.071 20 30 DGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCCC2)[C@H](n2cncn2)C1 ZINC001118431369 1096009955 /nfs/dbraw/zinc/00/99/55/1096009955.db2.gz RZXQYEIYCPLPME-BZUAXINKSA-N 0 3 301.438 3.071 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001223610868 1096014652 /nfs/dbraw/zinc/01/46/52/1096014652.db2.gz LKGUCYGAYNAWOY-IEBWSBKVSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC001146474795 1096050239 /nfs/dbraw/zinc/05/02/39/1096050239.db2.gz IDNOMIQWCUSPOY-PKOBYXMFSA-N 0 3 312.457 3.466 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCCCCCC)C[C@@H]21 ZINC001223977547 1096108089 /nfs/dbraw/zinc/10/80/89/1096108089.db2.gz GCXYJCZHFKDSKF-MSOLQXFVSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001224014264 1096116931 /nfs/dbraw/zinc/11/69/31/1096116931.db2.gz SQCXDKNRFYOSKF-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCCCCCC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224061952 1096127382 /nfs/dbraw/zinc/12/73/82/1096127382.db2.gz PDHGJJYHTDRYPI-KRWDZBQOSA-N 0 3 310.457 3.146 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001224187747 1096157147 /nfs/dbraw/zinc/15/71/47/1096157147.db2.gz ZHGYAWJKVXDRJY-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C(C)CCCO[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001224278979 1096177781 /nfs/dbraw/zinc/17/77/81/1096177781.db2.gz JNNZLJOPLVYQLS-JKSUJKDBSA-N 0 3 324.465 3.053 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC001224505723 1096227627 /nfs/dbraw/zinc/22/76/27/1096227627.db2.gz OQUJPWDGQHPTNP-YRNVUSSQSA-N 0 3 324.468 3.332 20 30 DGEDHN C=C(C)CCC(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001147639963 1096249693 /nfs/dbraw/zinc/24/96/93/1096249693.db2.gz JHGLPHHTERWSHR-UHFFFAOYSA-N 0 3 318.486 3.447 20 30 DGEDHN C[C@@H](CCC(C)(C)C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001147787573 1096271730 /nfs/dbraw/zinc/27/17/30/1096271730.db2.gz YUPUQWBKCSDETP-ZDUSSCGKSA-N 0 3 321.490 3.288 20 30 DGEDHN CCCCCC[C@H](F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001147792057 1096273681 /nfs/dbraw/zinc/27/36/81/1096273681.db2.gz YHSONSQHLWBUIM-KRWDZBQOSA-N 0 3 319.424 3.073 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@@H](CC2CCCC2)C(C)C)CC1 ZINC001224730417 1096274346 /nfs/dbraw/zinc/27/43/46/1096274346.db2.gz FUGQNRAXSLYINW-IBGZPJMESA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001224825176 1096294107 /nfs/dbraw/zinc/29/41/07/1096294107.db2.gz HXPIDOUHCIMOHG-HZPDHXFCSA-N 0 3 306.494 3.156 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001148146833 1096314861 /nfs/dbraw/zinc/31/48/61/1096314861.db2.gz JXJMPPHSGHLHOX-CYBMUJFWSA-N 0 3 318.383 3.075 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001148591678 1096408837 /nfs/dbraw/zinc/40/88/37/1096408837.db2.gz VMNQBUWHOLEORB-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C3CCCC3)C[C@]2(C)C1 ZINC001091745537 1096432468 /nfs/dbraw/zinc/43/24/68/1096432468.db2.gz NARXWDFSNQONRX-XLIONFOSSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001148811550 1096452206 /nfs/dbraw/zinc/45/22/06/1096452206.db2.gz CQPHNHSCOOMJEU-UHFFFAOYSA-N 0 3 304.478 3.006 20 30 DGEDHN C/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225593209 1096476039 /nfs/dbraw/zinc/47/60/39/1096476039.db2.gz YMTQYWOHBIFYRE-ZVMTXTNUSA-N 0 3 310.441 3.021 20 30 DGEDHN N=C(N[C@H]1CCc2c(F)cc(F)cc2C1)c1ccc(Cl)cn1 ZINC001171343404 1096481062 /nfs/dbraw/zinc/48/10/62/1096481062.db2.gz XGCMKOLVYMKBAK-LBPRGKRZSA-N 0 3 321.758 3.276 20 30 DGEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2C[C@H](C)C(F)(F)F ZINC001273446602 1096482939 /nfs/dbraw/zinc/48/29/39/1096482939.db2.gz QLFAXJMISSUWGV-DZGCQCFKSA-N 0 3 318.383 3.218 20 30 DGEDHN O=C(C=C1CCC1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225622334 1096486726 /nfs/dbraw/zinc/48/67/26/1096486726.db2.gz KLFJXUHWELMUHH-WOJBJXKFSA-N 0 3 322.452 3.165 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC3CCCC3)C[C@]2(C)C1 ZINC001092067743 1096573047 /nfs/dbraw/zinc/57/30/47/1096573047.db2.gz XPRRXPIFIUOJBP-HQRMLTQVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001277092896 1096591652 /nfs/dbraw/zinc/59/16/52/1096591652.db2.gz QLXILXQYPASBQH-TUUVXOQKSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001092310109 1096600963 /nfs/dbraw/zinc/60/09/63/1096600963.db2.gz LDQNNJPOKBXBDN-HLIPFELVSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC=C)c1ccccc1)C2 ZINC001110130788 1096603685 /nfs/dbraw/zinc/60/36/85/1096603685.db2.gz DOOWWNBWUVLZGB-FYQPLNBISA-N 0 3 322.452 3.091 20 30 DGEDHN C=CCCC(=O)NC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001226518855 1096711642 /nfs/dbraw/zinc/71/16/42/1096711642.db2.gz NFJGESOVYGATNJ-GOSISDBHSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCCC(=O)NC1CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001226518883 1096711704 /nfs/dbraw/zinc/71/17/04/1096711704.db2.gz NZRUAUBDPFFZKC-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCCN1CCc2nc(C(=O)N(C)C)ccc2C1 ZINC001277159059 1096791333 /nfs/dbraw/zinc/79/13/33/1096791333.db2.gz BLKHICNVGSTHTN-UHFFFAOYSA-N 0 3 315.461 3.278 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(Cl)cs3)CCC[C@@H]12 ZINC001094527741 1096846055 /nfs/dbraw/zinc/84/60/55/1096846055.db2.gz BXKHSHKGFSKSBM-GDBMZVCRSA-N 0 3 322.861 3.009 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001227085150 1096864421 /nfs/dbraw/zinc/86/44/21/1096864421.db2.gz ZJKZOWDFOHGBJD-UHFFFAOYSA-N 0 3 316.420 3.018 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC001171488970 1096896245 /nfs/dbraw/zinc/89/62/45/1096896245.db2.gz BGXLBYBXUGFDRS-UWJYYQICSA-N 0 3 324.468 3.298 20 30 DGEDHN Cc1cc(CN2CCC(NC(=O)C#CC(C)C)CC2)c(C)s1 ZINC001227221728 1096898693 /nfs/dbraw/zinc/89/86/93/1096898693.db2.gz YERMBCKSQKRGAH-UHFFFAOYSA-N 0 3 318.486 3.105 20 30 DGEDHN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc(C#N)ccc1[O-] ZINC001227353642 1096920281 /nfs/dbraw/zinc/92/02/81/1096920281.db2.gz ZIBWNDQBCDDRKY-LIRRHRJNSA-N 0 3 308.381 3.163 20 30 DGEDHN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cc(C#N)ccc1[O-] ZINC001227353642 1096920286 /nfs/dbraw/zinc/92/02/86/1096920286.db2.gz ZIBWNDQBCDDRKY-LIRRHRJNSA-N 0 3 308.381 3.163 20 30 DGEDHN CCOC(=O)CCN(CC#Cc1ccccc1Cl)C(C)C ZINC001171619764 1096935506 /nfs/dbraw/zinc/93/55/06/1096935506.db2.gz FFEFQFVMRZGGFQ-UHFFFAOYSA-N 0 3 307.821 3.355 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCC[C@H](C)CCC)CC1 ZINC001227546869 1096948835 /nfs/dbraw/zinc/94/88/35/1096948835.db2.gz PJJKSJUSIOOYMK-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(C(F)F)c1 ZINC001171720538 1096953908 /nfs/dbraw/zinc/95/39/08/1096953908.db2.gz FQADXBJVTACPQY-UHFFFAOYSA-N 0 3 302.752 3.086 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001227597122 1096957699 /nfs/dbraw/zinc/95/76/99/1096957699.db2.gz SXXYFLBCGILBEJ-UHFFFAOYSA-N 0 3 318.436 3.305 20 30 DGEDHN CCCCCCCCN1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001277231212 1096968226 /nfs/dbraw/zinc/96/82/26/1096968226.db2.gz JPRANEOHHNAILD-PKOBYXMFSA-N 0 3 317.477 3.183 20 30 DGEDHN CCCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CCCCO1 ZINC001277231221 1096968370 /nfs/dbraw/zinc/96/83/70/1096968370.db2.gz JTBQMPZBTCXKTM-AEFFLSMTSA-N 0 3 308.466 3.365 20 30 DGEDHN CC(C)(C)OC(=O)C1CCC(NCc2ncc(C#N)s2)CC1 ZINC001171917000 1097000579 /nfs/dbraw/zinc/00/05/79/1097000579.db2.gz JQZCUKFCWHMNIZ-UHFFFAOYSA-N 0 3 321.446 3.005 20 30 DGEDHN Cc1ccc(C#N)c(NC(=O)[C@]23C[C@H]2CCN3CC2CCCC2)c1 ZINC001277257164 1097022518 /nfs/dbraw/zinc/02/25/18/1097022518.db2.gz YTGUQVMOMVOJQG-XLIONFOSSA-N 0 3 323.440 3.460 20 30 DGEDHN C=CCC1(CNC(=O)N2CCN(C3CCCC3)CC2)CCCC1 ZINC001228270075 1097085975 /nfs/dbraw/zinc/08/59/75/1097085975.db2.gz LPLWFCPZDDWCGL-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H]1CCc2ccccc2C1=O ZINC001172305439 1097096040 /nfs/dbraw/zinc/09/60/40/1097096040.db2.gz SGKNNWJHKJVIPW-KUHUBIRLSA-N 0 3 304.393 3.277 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(Br)no1 ZINC001172295143 1097107719 /nfs/dbraw/zinc/10/77/19/1097107719.db2.gz POOOKZZYRMANHX-SNVBAGLBSA-N 0 3 320.190 3.030 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)n1nc(-c2ccncc2)cc1CN ZINC001172296312 1097109166 /nfs/dbraw/zinc/10/91/66/1097109166.db2.gz HFFYKVXGJWBZSK-CQSZACIVSA-N 0 3 317.396 3.079 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228414045 1097116591 /nfs/dbraw/zinc/11/65/91/1097116591.db2.gz XJAGZCDXIWHUCM-INMHGKMJSA-N 0 3 321.490 3.262 20 30 DGEDHN C[C@@H](CCCC#N)NCC(=O)c1cccc(Br)c1 ZINC001172476104 1097148865 /nfs/dbraw/zinc/14/88/65/1097148865.db2.gz GYLSSMXTVKSRBP-NSHDSACASA-N 0 3 309.207 3.304 20 30 DGEDHN CC#CCCCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001228718284 1097175513 /nfs/dbraw/zinc/17/55/13/1097175513.db2.gz PPRDAEOAARYFGX-UHFFFAOYSA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(C)cccc1F ZINC001277372663 1097287789 /nfs/dbraw/zinc/28/77/89/1097287789.db2.gz LJGITVSRTZCSTL-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)NCc1ccccc1C#N ZINC001172955160 1097301769 /nfs/dbraw/zinc/30/17/69/1097301769.db2.gz SHYMFCACORZARY-CQSZACIVSA-N 0 3 317.433 3.293 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229582428 1097348702 /nfs/dbraw/zinc/34/87/02/1097348702.db2.gz ALQDQNMEIBGFRA-CVEARBPZSA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229582434 1097349163 /nfs/dbraw/zinc/34/91/63/1097349163.db2.gz ALQDQNMEIBGFRA-JKSUJKDBSA-N 0 3 324.509 3.088 20 30 DGEDHN N#Cc1cccc(O[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001229597184 1097350622 /nfs/dbraw/zinc/35/06/22/1097350622.db2.gz IKEDJGUMDPOVCA-MRXNPFEDSA-N 0 3 323.352 3.120 20 30 DGEDHN C#C[C@H](CC)Oc1cccc(C2(C(=O)CC)CCN(C)CC2)c1 ZINC001229735291 1097374225 /nfs/dbraw/zinc/37/42/25/1097374225.db2.gz FVLDLYXHICXFRQ-QGZVFWFLSA-N 0 3 313.441 3.420 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C2 ZINC001110168838 1097404630 /nfs/dbraw/zinc/40/46/30/1097404630.db2.gz DELYDKKFKHMAFE-OWSLCNJRSA-N 0 3 304.478 3.194 20 30 DGEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@@H](C)CSCC)CCO2 ZINC001173304648 1097406147 /nfs/dbraw/zinc/40/61/47/1097406147.db2.gz CIYGZWYFKKLECP-YESZJQIVSA-N 0 3 313.507 3.202 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(N(C)Cc2cnc(C)o2)CC1 ZINC001277429964 1097409555 /nfs/dbraw/zinc/40/95/55/1097409555.db2.gz VMOLWKDCZKRJSK-UHFFFAOYSA-N 0 3 319.449 3.008 20 30 DGEDHN C=CCOC1CCC(N2CCN(c3ncc(C)s3)CC2)CC1 ZINC001173327839 1097418441 /nfs/dbraw/zinc/41/84/41/1097418441.db2.gz TYLSEZNRHLPUKL-UHFFFAOYSA-N 0 3 321.490 3.087 20 30 DGEDHN CC1(C#N)CCC(N2CCN(c3noc4ccccc43)CC2)CC1 ZINC001173592493 1097466073 /nfs/dbraw/zinc/46/60/73/1097466073.db2.gz QVEPPZLDOBXMND-UHFFFAOYSA-N 0 3 324.428 3.422 20 30 DGEDHN COC(=O)c1ccc(C[C@@H](C)NCc2ccccc2C#N)cc1 ZINC001173716429 1097500636 /nfs/dbraw/zinc/50/06/36/1097500636.db2.gz XWZOJXAGNZHWOH-CQSZACIVSA-N 0 3 308.381 3.066 20 30 DGEDHN C=C(C)CN(CCCNC(=O)CCCC)Cc1cccnc1 ZINC001230675457 1097552173 /nfs/dbraw/zinc/55/21/73/1097552173.db2.gz RMJLIBYQIHRMLD-UHFFFAOYSA-N 0 3 303.450 3.156 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001230748366 1097573300 /nfs/dbraw/zinc/57/33/00/1097573300.db2.gz GXQMETKQGOKKJV-KRWDZBQOSA-N 0 3 317.477 3.226 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230820268 1097597937 /nfs/dbraw/zinc/59/79/37/1097597937.db2.gz ZTZLQAMWSQWOCZ-INIZCTEOSA-N 0 3 303.450 3.012 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCCO1 ZINC001230838704 1097603811 /nfs/dbraw/zinc/60/38/11/1097603811.db2.gz RBEUILSPXAOVFS-QZTJIDSGSA-N 0 3 322.493 3.225 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCCOCC ZINC001230860635 1097608742 /nfs/dbraw/zinc/60/87/42/1097608742.db2.gz OXMLETVAEOXNJE-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCSCC ZINC001230898427 1097617314 /nfs/dbraw/zinc/61/73/14/1097617314.db2.gz CXDPGCOOMABYKQ-INIZCTEOSA-N 0 3 312.523 3.409 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)COC1CCCC1 ZINC001230901292 1097617889 /nfs/dbraw/zinc/61/78/89/1097617889.db2.gz ZIRVNVKKKRRPRM-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C(C)(C)C)Cc1cccnc1 ZINC001230906794 1097619300 /nfs/dbraw/zinc/61/93/00/1097619300.db2.gz VJDFXPWDFQSRGJ-UHFFFAOYSA-N 0 3 303.450 3.012 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC(CC)CC)C2)C1 ZINC001277474388 1097632300 /nfs/dbraw/zinc/63/23/00/1097632300.db2.gz QAEKENVDDXYAPZ-IBGZPJMESA-N 0 3 304.478 3.151 20 30 DGEDHN C(#Cc1ccccc1CN1CC(C2COC2)C1)c1ccccc1 ZINC001231576756 1097783115 /nfs/dbraw/zinc/78/31/15/1097783115.db2.gz IGHSZSVMWIASIE-UHFFFAOYSA-N 0 3 303.405 3.165 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3cc(C)ccn3)C2)c1 ZINC001231663205 1097808436 /nfs/dbraw/zinc/80/84/36/1097808436.db2.gz LQDCORQZAFYSAT-LJQANCHMSA-N 0 3 306.409 3.415 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001174834326 1097853207 /nfs/dbraw/zinc/85/32/07/1097853207.db2.gz YXYJGFLMWSOGFU-ZBFHGGJFSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1C1CCC1 ZINC001174868024 1097873112 /nfs/dbraw/zinc/87/31/12/1097873112.db2.gz XNSDWJWXJIRKHC-UHFFFAOYSA-N 0 3 306.837 3.416 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(C)nc(C)c1)C2 ZINC001231999792 1097911936 /nfs/dbraw/zinc/91/19/36/1097911936.db2.gz VPSOTWMQWJFWBY-MOPGFXCFSA-N 0 3 316.445 3.025 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001175082197 1097941805 /nfs/dbraw/zinc/94/18/05/1097941805.db2.gz MGPAGQZVZSRMDB-RDTXWAMCSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001175082196 1097941952 /nfs/dbraw/zinc/94/19/52/1097941952.db2.gz MGPAGQZVZSRMDB-KSSFIOAISA-N 0 3 321.465 3.350 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCCOc1cccc(C)c1 ZINC001175292438 1097991258 /nfs/dbraw/zinc/99/12/58/1097991258.db2.gz YIPLPIOHQCXSLC-UHFFFAOYSA-N 0 3 324.852 3.002 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CCC)c1ccccc1 ZINC001175367796 1098026881 /nfs/dbraw/zinc/02/68/81/1098026881.db2.gz YTTAZGGTLRCXNW-INIZCTEOSA-N 0 3 308.853 3.419 20 30 DGEDHN Cc1c(C)n(C2=CCN(Cc3ccccc3)CC2)c(N)c1C#N ZINC001175505528 1098075063 /nfs/dbraw/zinc/07/50/63/1098075063.db2.gz QHNPZZZJRZYQRI-UHFFFAOYSA-N 0 3 306.413 3.306 20 30 DGEDHN N#Cc1cc(O)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175507040 1098077219 /nfs/dbraw/zinc/07/72/19/1098077219.db2.gz TYWACRMPRRTIAH-UHFFFAOYSA-N 0 3 305.381 3.466 20 30 DGEDHN COc1cc(CN2CCC[C@@H](C#N)CC2)ccc1-n1cnc(C)c1 ZINC001232561687 1098079824 /nfs/dbraw/zinc/07/98/24/1098079824.db2.gz FWLYQKHFDCINER-MRXNPFEDSA-N 0 3 324.428 3.315 20 30 DGEDHN COC(=O)c1cccc2c(CN3CCC[C@@H](C#N)CC3)c[nH]c21 ZINC001232710361 1098118815 /nfs/dbraw/zinc/11/88/15/1098118815.db2.gz NUMTXFRFUJGFEW-CYBMUJFWSA-N 0 3 311.385 3.080 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2nc(C)c(C)s2)C[C@@H]1C ZINC001277723828 1098151499 /nfs/dbraw/zinc/15/14/99/1098151499.db2.gz WDNTULUJOUGHNL-SWLSCSKDSA-N 0 3 321.490 3.195 20 30 DGEDHN N#Cc1cccc(CN(Cc2ccccc2)C2CCOCC2)n1 ZINC001232924472 1098173733 /nfs/dbraw/zinc/17/37/33/1098173733.db2.gz DOFUXBJJHFRWOS-UHFFFAOYSA-N 0 3 307.397 3.134 20 30 DGEDHN COc1cccc(C[C@H]2CCCN(Cc3cccc(C#N)n3)C2)c1 ZINC001232926671 1098174349 /nfs/dbraw/zinc/17/43/49/1098174349.db2.gz ZNQZYUWKIYXWBG-QGZVFWFLSA-N 0 3 321.424 3.417 20 30 DGEDHN COC(=O)CCN(Cc1ccc(C)cc1C#N)C1CCCC1 ZINC001232966749 1098185474 /nfs/dbraw/zinc/18/54/74/1098185474.db2.gz UITWGZPRDUMKHS-UHFFFAOYSA-N 0 3 300.402 3.174 20 30 DGEDHN Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(C#N)c1 ZINC001232969507 1098188655 /nfs/dbraw/zinc/18/86/55/1098188655.db2.gz RAFBQGSIASRJCR-PMACEKPBSA-N 0 3 317.436 3.435 20 30 DGEDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C#N)cc1C)C2 ZINC001233081801 1098222386 /nfs/dbraw/zinc/22/23/86/1098222386.db2.gz PVVYQGLSWLDEQM-RBUKOAKNSA-N 0 3 314.429 3.027 20 30 DGEDHN CN(C)c1ccc(CN2CC3CCC(CC3)C2)c(F)c1C#N ZINC001233101906 1098227514 /nfs/dbraw/zinc/22/75/14/1098227514.db2.gz IZEQUYUEZZSMOW-UHFFFAOYSA-N 0 3 301.409 3.385 20 30 DGEDHN C#CC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001233109547 1098228737 /nfs/dbraw/zinc/22/87/37/1098228737.db2.gz BGLONJHUXLJHHA-UHFFFAOYSA-N 0 3 308.219 3.308 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001176071438 1098241534 /nfs/dbraw/zinc/24/15/34/1098241534.db2.gz YRAYOHFODHAHAC-HUUCEWRRSA-N 0 3 318.848 3.205 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccccc1Br)C(C)(C)C ZINC001176281234 1098298385 /nfs/dbraw/zinc/29/83/85/1098298385.db2.gz LFUXHBSYIMPCTA-CQSZACIVSA-N 0 3 310.235 3.216 20 30 DGEDHN C=CCc1ccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001233594265 1098385843 /nfs/dbraw/zinc/38/58/43/1098385843.db2.gz ICUPOOAFKFACBH-UAPYVXQJSA-N 0 3 301.430 3.437 20 30 DGEDHN N#CC[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761128 1098425069 /nfs/dbraw/zinc/42/50/69/1098425069.db2.gz QFBBHKXXPDONPV-NSHDSACASA-N 0 3 314.307 3.416 20 30 DGEDHN N#CC[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761128 1098425071 /nfs/dbraw/zinc/42/50/71/1098425071.db2.gz QFBBHKXXPDONPV-NSHDSACASA-N 0 3 314.307 3.416 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001233762630 1098425258 /nfs/dbraw/zinc/42/52/58/1098425258.db2.gz UEFVMZSFCHGFKT-AZUAARDMSA-N 0 3 324.468 3.400 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CCC ZINC001233760992 1098425591 /nfs/dbraw/zinc/42/55/91/1098425591.db2.gz GQTHYOIJSKBXKQ-IZTUGPKFSA-N 0 3 304.478 3.459 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001233770146 1098427398 /nfs/dbraw/zinc/42/73/98/1098427398.db2.gz HIOTYTLENNKPBB-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233992558 1098472671 /nfs/dbraw/zinc/47/26/71/1098472671.db2.gz XZGROIQSVXGPFC-MRXNPFEDSA-N 0 3 305.466 3.440 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCCc2ccccc21 ZINC001177127069 1098474977 /nfs/dbraw/zinc/47/49/77/1098474977.db2.gz IPLAVGOGRZBGCO-KRWDZBQOSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001177201875 1098488819 /nfs/dbraw/zinc/48/88/19/1098488819.db2.gz QGFNABSFYMORRI-UHFFFAOYSA-N 0 3 320.864 3.265 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC1(COC)CC1 ZINC001234187299 1098511797 /nfs/dbraw/zinc/51/17/97/1098511797.db2.gz WULDFLANNNAOBH-KRWDZBQOSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCCCC ZINC001234276852 1098527314 /nfs/dbraw/zinc/52/73/14/1098527314.db2.gz UQAINHYRPDNKJA-DLBZAZTESA-N 0 3 310.482 3.081 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1cc2ccccc2o1 ZINC001277845997 1098534762 /nfs/dbraw/zinc/53/47/62/1098534762.db2.gz OTIIELJGOIZISN-QGZVFWFLSA-N 0 3 324.424 3.317 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001234313581 1098534950 /nfs/dbraw/zinc/53/49/50/1098534950.db2.gz DWWIYPASFSQQFS-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN CCN1CCC[C@@H](Oc2ccc(/C=C/C(C)=O)cc2OC)C1 ZINC001234339780 1098540257 /nfs/dbraw/zinc/54/02/57/1098540257.db2.gz RAFQLORJWOCSSP-KXPUMZMLSA-N 0 3 303.402 3.161 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001234445704 1098555803 /nfs/dbraw/zinc/55/58/03/1098555803.db2.gz MCQYJYSEFQJMSP-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC[C@@H](C)F ZINC001234554081 1098598061 /nfs/dbraw/zinc/59/80/61/1098598061.db2.gz DQBVLDLJTLFTPD-DGCLKSJQSA-N 0 3 304.837 3.046 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001234624917 1098623232 /nfs/dbraw/zinc/62/32/32/1098623232.db2.gz IAAWPEJIPXDQTQ-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C#C[C@@H](CCCC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234660348 1098636165 /nfs/dbraw/zinc/63/61/65/1098636165.db2.gz GYYDRVRJLKOWQT-SFHVURJKSA-N 0 3 300.446 3.399 20 30 DGEDHN N#Cc1ccccc1CN1CC[C@@H](Oc2ccccc2C=NO)C1 ZINC001234820012 1098671555 /nfs/dbraw/zinc/67/15/55/1098671555.db2.gz RCHIELNUOAJJPY-GOSISDBHSA-N 0 3 321.380 3.020 20 30 DGEDHN N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234820012 1098671564 /nfs/dbraw/zinc/67/15/64/1098671564.db2.gz RCHIELNUOAJJPY-GOSISDBHSA-N 0 3 321.380 3.020 20 30 DGEDHN N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234820012 1098671568 /nfs/dbraw/zinc/67/15/68/1098671568.db2.gz RCHIELNUOAJJPY-GOSISDBHSA-N 0 3 321.380 3.020 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1scnc1CC ZINC001235068921 1098782686 /nfs/dbraw/zinc/78/26/86/1098782686.db2.gz AMEPLOPSVKCKST-ZIAGYGMSSA-N 0 3 321.490 3.207 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001235103548 1098803195 /nfs/dbraw/zinc/80/31/95/1098803195.db2.gz CLNSYMMJHWLOSO-OAHLLOKOSA-N 0 3 301.434 3.005 20 30 DGEDHN CC1(C(=O)NCCCCCCNCc2ccccc2C#N)CC1 ZINC001178539935 1098859343 /nfs/dbraw/zinc/85/93/43/1098859343.db2.gz ONKDZFOOVUWQPG-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC/C=C\CC)CCC1 ZINC001235210453 1098882633 /nfs/dbraw/zinc/88/26/33/1098882633.db2.gz SRRKSRWXPLNBMK-TUYSUELWSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235245709 1098917926 /nfs/dbraw/zinc/91/79/26/1098917926.db2.gz OQDBQSCRPYGBFM-CYBMUJFWSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178805723 1098936906 /nfs/dbraw/zinc/93/69/06/1098936906.db2.gz KSLBNONNLVJQQI-BBRMVZONSA-N 0 3 317.458 3.055 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCCCCNCc1nccs1 ZINC001179306705 1099059669 /nfs/dbraw/zinc/05/96/69/1099059669.db2.gz KKIBPEMWRDLSFW-GJZGRUSLSA-N 0 3 323.506 3.368 20 30 DGEDHN CC(C)(C)OC(=O)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235522712 1099071080 /nfs/dbraw/zinc/07/10/80/1099071080.db2.gz IVVAWVCIXNOLRD-UHFFFAOYSA-N 0 3 314.429 3.306 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCCCCNCc1ocnc1C ZINC001179340181 1099076516 /nfs/dbraw/zinc/07/65/16/1099076516.db2.gz VEWXOZBSKCWYBQ-INIZCTEOSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001179384804 1099088980 /nfs/dbraw/zinc/08/89/80/1099088980.db2.gz WZLRJBIGVYWGKC-ULQDDVLXSA-N 0 3 315.461 3.071 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC001235793123 1099183938 /nfs/dbraw/zinc/18/39/38/1099183938.db2.gz VQVPMULWFSAOJQ-MRXNPFEDSA-N 0 3 317.845 3.420 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@H](c3ccccc3)C2)cc1Cl ZINC001235857479 1099218912 /nfs/dbraw/zinc/21/89/12/1099218912.db2.gz ULMJSOAVMYEVTA-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1cc(CN2CCN[C@@H](c3ccccc3)C2)ccc1Cl ZINC001235865078 1099227937 /nfs/dbraw/zinc/22/79/37/1099227937.db2.gz YAYSUJIJAUIRHH-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN CCc1ccccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001187619507 1099559405 /nfs/dbraw/zinc/55/94/05/1099559405.db2.gz KUWDFGVYJSLXME-AWEZNQCLSA-N 0 3 302.399 3.055 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](NC/C=C/Cl)C2)CCCCC1 ZINC001188047079 1099662253 /nfs/dbraw/zinc/66/22/53/1099662253.db2.gz YNWUFNKWRWUYJT-KDHUCADRSA-N 0 3 310.869 3.456 20 30 DGEDHN CSc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001188089938 1099683789 /nfs/dbraw/zinc/68/37/89/1099683789.db2.gz PKGVLWMOBUZDRU-ZDUSSCGKSA-N 0 3 320.439 3.215 20 30 DGEDHN CC(C)CC(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001278023885 1099855859 /nfs/dbraw/zinc/85/58/59/1099855859.db2.gz MUOZTVDJJORTSY-UHFFFAOYSA-N 0 3 313.445 3.075 20 30 DGEDHN CCc1cc(CN2CC3(CCN3C3CCCC3)C2)ccc1C#N ZINC001278038155 1099912340 /nfs/dbraw/zinc/91/23/40/1099912340.db2.gz VFELZHDGOVBTGX-UHFFFAOYSA-N 0 3 309.457 3.323 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001189278718 1099996983 /nfs/dbraw/zinc/99/69/83/1099996983.db2.gz ALPFMTSOIQXIQU-MRXNPFEDSA-N 0 3 306.837 3.339 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2cccc(OC)c2C)C1 ZINC001189318643 1100022844 /nfs/dbraw/zinc/02/28/44/1100022844.db2.gz NIVNFMBTPYKURA-QGZVFWFLSA-N 0 3 316.445 3.003 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCCc2ccc(C)cc2)CC1 ZINC001278072285 1100045337 /nfs/dbraw/zinc/04/53/37/1100045337.db2.gz VNFBREANCXMCJG-UHFFFAOYSA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)CC1 ZINC001278072473 1100045803 /nfs/dbraw/zinc/04/58/03/1100045803.db2.gz HRYOPQFCIOYHFG-WSTZPKSXSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC(C)(C)CC(F)(F)F)[C@@H]2C1 ZINC001189952188 1100170025 /nfs/dbraw/zinc/17/00/25/1100170025.db2.gz BFXZPHFUMYLFRR-QWHCGFSZSA-N 0 3 318.383 3.074 20 30 DGEDHN C#CCC1(C(=O)N(C)CCCN(C)C[C@H](F)CC)CCCCC1 ZINC001273591651 1100182533 /nfs/dbraw/zinc/18/25/33/1100182533.db2.gz YZWPCKZIYKSQOU-QGZVFWFLSA-N 0 3 324.484 3.489 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190335727 1100247795 /nfs/dbraw/zinc/24/77/95/1100247795.db2.gz AJXJMEICSSJPJD-QGZVFWFLSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001190390732 1100257943 /nfs/dbraw/zinc/25/79/43/1100257943.db2.gz TXHYTNQCKWHNOO-KRWDZBQOSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001190398455 1100259081 /nfs/dbraw/zinc/25/90/81/1100259081.db2.gz WALAOEOPJXATAY-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190370155 1100263027 /nfs/dbraw/zinc/26/30/27/1100263027.db2.gz HRMPEIOEDHSXPC-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CC=CCC1)C1CCN(CC(=C)C)CC1 ZINC001278168434 1100302692 /nfs/dbraw/zinc/30/26/92/1100302692.db2.gz AHEUOTBBLATESX-GOSISDBHSA-N 0 3 314.473 3.235 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)COCCCCCCCC)C1 ZINC001190695339 1100324235 /nfs/dbraw/zinc/32/42/35/1100324235.db2.gz DQNQCRJQBPUTAZ-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN N#CCC1CCN(Cc2ccccc2Oc2cnccn2)CC1 ZINC001238012825 1100326969 /nfs/dbraw/zinc/32/69/69/1100326969.db2.gz FFWYLZXIEUPKSS-UHFFFAOYSA-N 0 3 308.385 3.395 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC001191129221 1100407212 /nfs/dbraw/zinc/40/72/12/1100407212.db2.gz TZJVDGBRVLYCII-KRWDZBQOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191789715 1100522072 /nfs/dbraw/zinc/52/20/72/1100522072.db2.gz HYNFCCZMUMSDQJ-DLXXGXJASA-N 0 3 323.440 3.113 20 30 DGEDHN CCOC(=O)C[C@@H]1CCCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238766367 1100522751 /nfs/dbraw/zinc/52/27/51/1100522751.db2.gz KXFSTWAOEKYATL-HNNXBMFYSA-N 0 3 314.429 3.286 20 30 DGEDHN CCc1cc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)ccc1C#N ZINC001238773037 1100525823 /nfs/dbraw/zinc/52/58/23/1100525823.db2.gz TYNFGNSBFJLSJJ-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN CCc1cc(CN2CC[C@@H](Oc3cccc(C)n3)C2)ccc1C#N ZINC001238772272 1100526485 /nfs/dbraw/zinc/52/64/85/1100526485.db2.gz NVNQCIUIAGVFSN-LJQANCHMSA-N 0 3 321.424 3.477 20 30 DGEDHN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238773056 1100526796 /nfs/dbraw/zinc/52/67/96/1100526796.db2.gz UDDVOWKLQLPOKG-GOSISDBHSA-N 0 3 314.429 3.286 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001191868331 1100537460 /nfs/dbraw/zinc/53/74/60/1100537460.db2.gz RTPQGVJUNDZUOO-MAUKXSAKSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001192072306 1100571921 /nfs/dbraw/zinc/57/19/21/1100571921.db2.gz CUSMRKRUHKUOOB-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001192109639 1100573101 /nfs/dbraw/zinc/57/31/01/1100573101.db2.gz LENLAQDDLYRWKA-QZTJIDSGSA-N 0 3 322.493 3.009 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2ccc(C)cc2)C1 ZINC001192153553 1100579165 /nfs/dbraw/zinc/57/91/65/1100579165.db2.gz RFSOIIGDIMUVLU-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN CCCCCCCOC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001239321431 1100631034 /nfs/dbraw/zinc/63/10/34/1100631034.db2.gz RYVLOHXAVBGFCL-KRWDZBQOSA-N 0 3 304.434 3.398 20 30 DGEDHN Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c(C)n1 ZINC001239451638 1100671288 /nfs/dbraw/zinc/67/12/88/1100671288.db2.gz RBVVVWXAFCJTHO-CQSZACIVSA-N 0 3 324.384 3.104 20 30 DGEDHN C#CCCCCCCN1CCN(c2nc(C)c(C)s2)CC1 ZINC001192940094 1100683997 /nfs/dbraw/zinc/68/39/97/1100683997.db2.gz ZCFREGMRIOOLNB-UHFFFAOYSA-N 0 3 305.491 3.466 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193478577 1100749883 /nfs/dbraw/zinc/74/98/83/1100749883.db2.gz OUNXDMFZDWMIRJ-IAGOWNOFSA-N 0 3 324.509 3.184 20 30 DGEDHN CCCCCCCCCC(=O)N1CC[C@@H](N(C)CCOC)C1 ZINC001193663792 1100787710 /nfs/dbraw/zinc/78/77/10/1100787710.db2.gz OOXRWVLKWGCPHK-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccc(CC#N)c(F)c3)c2)CC1 ZINC001240293033 1100928253 /nfs/dbraw/zinc/92/82/53/1100928253.db2.gz WUBQKYRYWTWNAD-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccc(CC#N)cc3)c2)CC1 ZINC001240293632 1100929703 /nfs/dbraw/zinc/92/97/03/1100929703.db2.gz LJYMJSCSZLPNPW-UHFFFAOYSA-N 0 3 305.425 3.167 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCCc2ccc(C)cc2)C1 ZINC001194407325 1100935585 /nfs/dbraw/zinc/93/55/85/1100935585.db2.gz KVDZTNWZKKCGQQ-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN CCCCCCCCCOC(=O)N1CCOC[C@@H]1CN(C)C ZINC001194913551 1101036110 /nfs/dbraw/zinc/03/61/10/1101036110.db2.gz FBLIMPGUXSGQRL-INIZCTEOSA-N 0 3 314.470 3.136 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2scnc2CC)CC1 ZINC001196073457 1101245060 /nfs/dbraw/zinc/24/50/60/1101245060.db2.gz XGLVMJFFTUXENE-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(CC)CCC2)C12CCC2 ZINC001203305354 1101296896 /nfs/dbraw/zinc/29/68/96/1101296896.db2.gz WICPVPUUQHUTJP-ZIAGYGMSSA-N 0 3 310.869 3.336 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3cc(C)c(C)cc3C)CC2)C1=O ZINC001273720651 1101304942 /nfs/dbraw/zinc/30/49/42/1101304942.db2.gz CWOPKCDPZWIGEO-UHFFFAOYSA-N 0 3 324.468 3.060 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196830635 1101401485 /nfs/dbraw/zinc/40/14/85/1101401485.db2.gz MENPKPGKCBXQAO-ZWKOTPCHSA-N 0 3 314.473 3.222 20 30 DGEDHN CC#CCCCC(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001196838791 1101404234 /nfs/dbraw/zinc/40/42/34/1101404234.db2.gz KRXQIHLXSQMABO-SFHVURJKSA-N 0 3 312.457 3.476 20 30 DGEDHN CC#CCCCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196847248 1101406566 /nfs/dbraw/zinc/40/65/66/1101406566.db2.gz YQBFXQULHFUGTD-UHFFFAOYSA-N 0 3 302.462 3.215 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196854901 1101418518 /nfs/dbraw/zinc/41/85/18/1101418518.db2.gz VEKWYMIRTBWEQM-ZIAGYGMSSA-N 0 3 314.420 3.024 20 30 DGEDHN COc1ncc(C2=CCN(Cc3ccccc3)CC2)cc1C#N ZINC001241504083 1101519657 /nfs/dbraw/zinc/51/96/57/1101519657.db2.gz LYWUFQOQZAEDKK-UHFFFAOYSA-N 0 3 305.381 3.251 20 30 DGEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC001197331888 1101549411 /nfs/dbraw/zinc/54/94/11/1101549411.db2.gz PVJKRVBKYHRFHW-HNNXBMFYSA-N 0 3 319.449 3.301 20 30 DGEDHN C=CC1(CC(=O)N2CCCN([C@H](C)COC)CC2)CCCCC1 ZINC001197418974 1101563956 /nfs/dbraw/zinc/56/39/56/1101563956.db2.gz YZTIEXFDKOSKSU-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN CCN1CCN(c2ccc(-c3cc(C#N)c(C)cn3)cc2)CC1 ZINC001241742738 1101672841 /nfs/dbraw/zinc/67/28/41/1101672841.db2.gz BSIIKIKOFPXYSC-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN C#Cc1cccc(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001241921851 1101781498 /nfs/dbraw/zinc/78/14/98/1101781498.db2.gz ITEPTCMUJXTQPQ-HXUWFJFHSA-N 0 3 302.377 3.249 20 30 DGEDHN C=CCCCN(CC)CC(=O)NCc1cc(Cl)ccc1OC ZINC001198457653 1101863090 /nfs/dbraw/zinc/86/30/90/1101863090.db2.gz HACHYKUIAVUDKN-UHFFFAOYSA-N 0 3 324.852 3.253 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)C=C(C)C)c1ccccc1OC ZINC001198506967 1101875355 /nfs/dbraw/zinc/87/53/55/1101875355.db2.gz HCVGDPBKVIJQJB-KRWDZBQOSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)CC(C)C)c1ccccc1OC ZINC001198499460 1101877638 /nfs/dbraw/zinc/87/76/38/1101877638.db2.gz MDPPLGOQFBVVSX-KRWDZBQOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C1CCCC1)c1ccccc1OC ZINC001198480974 1101886213 /nfs/dbraw/zinc/88/62/13/1101886213.db2.gz DROXXYAOTKDMCC-QGZVFWFLSA-N 0 3 316.445 3.208 20 30 DGEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1F ZINC001198525880 1101894499 /nfs/dbraw/zinc/89/44/99/1101894499.db2.gz NTFLYDPEVFPFRR-ZDUSSCGKSA-N 0 3 308.784 3.295 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)C=C(C)C)c1ccccc1OC ZINC001198508046 1101898246 /nfs/dbraw/zinc/89/82/46/1101898246.db2.gz MFTSHPREVZFDBO-KRWDZBQOSA-N 0 3 316.445 3.375 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)[C@H](C)CC)c1ccccc1OC ZINC001198540776 1101912371 /nfs/dbraw/zinc/91/23/71/1101912371.db2.gz HSAFDVYAHSKDSO-NVXWUHKLSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198541948 1101912824 /nfs/dbraw/zinc/91/28/24/1101912824.db2.gz LJIDQJCRWCICQJ-INIZCTEOSA-N 0 3 304.434 3.064 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCC1CC1 ZINC001152484325 1101937051 /nfs/dbraw/zinc/93/70/51/1101937051.db2.gz SUUVJXXATQYKHV-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)/C(C)=C\C)c1ccccc1OC ZINC001198647037 1101939233 /nfs/dbraw/zinc/93/92/33/1101939233.db2.gz IAZPEBRVIZPNTB-MISIWFIQSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1OC ZINC001198648433 1101941700 /nfs/dbraw/zinc/94/17/00/1101941700.db2.gz VLGHMISEYQAIHK-PBHICJAKSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198740941 1101964070 /nfs/dbraw/zinc/96/40/70/1101964070.db2.gz JBLKRXBAUYKPHS-CQSZACIVSA-N 0 3 324.852 3.241 20 30 DGEDHN C=CCCN[C@H](CNC(=O)/C=C(\C)CC)c1ccccc1OC ZINC001198713043 1101972161 /nfs/dbraw/zinc/97/21/61/1101972161.db2.gz KPSPEQWQBVUNDK-LCJXNMAOSA-N 0 3 316.445 3.375 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198751486 1101976739 /nfs/dbraw/zinc/97/67/39/1101976739.db2.gz GNYYIIDIJRFVAQ-INIZCTEOSA-N 0 3 304.434 3.207 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCC1CC1)c1ccccc1OC ZINC001198835141 1101989801 /nfs/dbraw/zinc/98/98/01/1101989801.db2.gz RMGJOLQSCNOVTA-MRXNPFEDSA-N 0 3 316.445 3.064 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)[C@@H](F)CC)c1ccccc1OC ZINC001198834352 1101990500 /nfs/dbraw/zinc/99/05/00/1101990500.db2.gz LURAPSRDLMESSS-HOTGVXAUSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C1(C)CCC1)c1ccccc1OC ZINC001198834880 1101990941 /nfs/dbraw/zinc/99/09/41/1101990941.db2.gz QACBIDUNGKUBAD-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCCC)c2ccccc2OC)C1 ZINC001198894472 1102012438 /nfs/dbraw/zinc/01/24/38/1102012438.db2.gz IZFZUTSFCGPZNW-INIZCTEOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NC(C)C)c2ccccc2OC)C1 ZINC001198895290 1102013978 /nfs/dbraw/zinc/01/39/78/1102013978.db2.gz QQNOQQCFLCQJEW-MRXNPFEDSA-N 0 3 316.445 3.207 20 30 DGEDHN C=CCCCC(=O)NC[C@H](NCC(C)C)c1ccccc1OC ZINC001198876564 1102018797 /nfs/dbraw/zinc/01/87/97/1102018797.db2.gz UFJZSVFVPFCKOG-KRWDZBQOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198885361 1102022942 /nfs/dbraw/zinc/02/29/42/1102022942.db2.gz FOJFRRFPUYXIAS-QFBILLFUSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCC(=O)N1CCC(NCc2c(F)cccc2F)CC1 ZINC001199725989 1102193587 /nfs/dbraw/zinc/19/35/87/1102193587.db2.gz KKDMNVWCBNVRHI-UHFFFAOYSA-N 0 3 308.372 3.012 20 30 DGEDHN COCCN(C)Cc1ccnc(-c2cc(Cl)cc(C#N)c2)c1 ZINC001242569357 1102215830 /nfs/dbraw/zinc/21/58/30/1102215830.db2.gz SOIZARYWWRDLNA-UHFFFAOYSA-N 0 3 315.804 3.352 20 30 DGEDHN Cc1ccc(-c2cncc([C@@H]3CN4CCC3CC4)n2)c(C#N)c1 ZINC001242590920 1102228647 /nfs/dbraw/zinc/22/86/47/1102228647.db2.gz DNHQZKVWEBZBCX-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001494866697 1102269035 /nfs/dbraw/zinc/26/90/35/1102269035.db2.gz BKGDYECAIZPSJM-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN Cc1cc(-c2cccc3cc([C@H]4CNCCO4)cn32)ccc1C#N ZINC001242768156 1102330855 /nfs/dbraw/zinc/33/08/55/1102330855.db2.gz RXXLYOOUGMIATI-HXUWFJFHSA-N 0 3 317.392 3.447 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CC(C)(C)C)C2 ZINC001273848812 1102377699 /nfs/dbraw/zinc/37/76/99/1102377699.db2.gz MIWKAMKXUKPJMD-FQEVSTJZSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@@H]1C ZINC001278354275 1102386224 /nfs/dbraw/zinc/38/62/24/1102386224.db2.gz BBDOETSYBISYIE-GXTWGEPZSA-N 0 3 308.372 3.010 20 30 DGEDHN CC1CCC(C)(C(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001152928169 1102746371 /nfs/dbraw/zinc/74/63/71/1102746371.db2.gz TUCMCEMBBRGYDQ-UHFFFAOYSA-N 0 3 319.474 3.042 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202109556 1102858629 /nfs/dbraw/zinc/85/86/29/1102858629.db2.gz WOQXKMLTLJRXPO-OQZOHAQUSA-N 0 3 319.276 3.488 20 30 DGEDHN COc1cc(-c2cccc(N3CCN(C)CC3)c2)ccc1CC#N ZINC001243670652 1102906631 /nfs/dbraw/zinc/90/66/31/1102906631.db2.gz PFDRPWGMHCUCLJ-UHFFFAOYSA-N 0 3 321.424 3.180 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001278369813 1102937580 /nfs/dbraw/zinc/93/75/80/1102937580.db2.gz ZNCZVLOHFFIYLC-SFHVURJKSA-N 0 3 304.409 3.203 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc3oc(=O)oc3c2)cc1 ZINC001202365930 1102962200 /nfs/dbraw/zinc/96/22/00/1102962200.db2.gz GZVXGVZRAKZHFQ-UHFFFAOYSA-N 0 3 311.337 3.241 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnoc1C(C)C)C2 ZINC001111219861 1103096888 /nfs/dbraw/zinc/09/68/88/1103096888.db2.gz KGFFYDIJLRUYQD-BMFZPTHFSA-N 0 3 317.433 3.099 20 30 DGEDHN C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC001325676741 1103100249 /nfs/dbraw/zinc/10/02/49/1103100249.db2.gz DSMGPJPKGHRHRW-UHFFFAOYSA-N 0 3 324.424 3.200 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)[C@H](C)CC ZINC001325709129 1103106964 /nfs/dbraw/zinc/10/69/64/1103106964.db2.gz ZGQHMTDGIBPIAA-MSOLQXFVSA-N 0 3 314.473 3.310 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(F)(F)F)C2 ZINC001111238106 1103110857 /nfs/dbraw/zinc/11/08/57/1103110857.db2.gz KNNABMCILBNAGL-UPJWGTAASA-N 0 3 318.383 3.263 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001488659642 1103118594 /nfs/dbraw/zinc/11/85/94/1103118594.db2.gz ALARPUSKXDXSBD-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001488739293 1103130625 /nfs/dbraw/zinc/13/06/25/1103130625.db2.gz GMJXPHMTPDMQIZ-AKAXFMLLSA-N 0 3 322.399 3.306 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC(C)C)CCCCC1 ZINC001488700704 1103132273 /nfs/dbraw/zinc/13/22/73/1103132273.db2.gz ZMULDXGXLJSFDT-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C2 ZINC001095785411 1103144523 /nfs/dbraw/zinc/14/45/23/1103144523.db2.gz RLLNVOXCIBFSRU-QFCZJPRCSA-N 0 3 324.468 3.262 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCC1(F)F)C2 ZINC001095815181 1103218781 /nfs/dbraw/zinc/21/87/81/1103218781.db2.gz YPNFNIXBSBPXTC-KBXIAJHMSA-N 0 3 312.404 3.110 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC2(C[C@H]1C)CCN(CC#CC)CC2 ZINC001488976534 1103228060 /nfs/dbraw/zinc/22/80/60/1103228060.db2.gz WSCSIMNZIKEOOZ-ZKLMEHKCSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccoc1 ZINC001488988620 1103235330 /nfs/dbraw/zinc/23/53/30/1103235330.db2.gz RPVSSLLXJLHGJP-WFASDCNBSA-N 0 3 310.825 3.253 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001488996521 1103240789 /nfs/dbraw/zinc/24/07/89/1103240789.db2.gz GNRJQGFCKUIFNZ-FMPTWSOUSA-N 0 3 324.896 3.392 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@](F)(CO)CC1 ZINC001138661943 1103241652 /nfs/dbraw/zinc/24/16/52/1103241652.db2.gz JPGPAXUNZBKGMX-SFHVURJKSA-N 0 3 307.409 3.328 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001489084052 1103262291 /nfs/dbraw/zinc/26/22/91/1103262291.db2.gz GNTNXYLXCMFFCV-GRIRANMXSA-N 0 3 322.880 3.264 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(F)cc1C)C2 ZINC001095857996 1103270148 /nfs/dbraw/zinc/27/01/48/1103270148.db2.gz ZAVSMBFRENFCGO-IKGGRYGDSA-N 0 3 316.420 3.354 20 30 DGEDHN CC(C)C#CC(=O)NCc1ccc([C@H](C)NC/C=C/Cl)cc1 ZINC001326466334 1103327841 /nfs/dbraw/zinc/32/78/41/1103327841.db2.gz BUFGLMPXKKBNIX-GZOXUHRPSA-N 0 3 318.848 3.365 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001326480117 1103333132 /nfs/dbraw/zinc/33/31/32/1103333132.db2.gz LJCKUQKXGJLMOS-XLNTUCKNSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(C)CCC(=O)N1CCCCC[C@H](NCc2ccccn2)C1 ZINC001489232875 1103333523 /nfs/dbraw/zinc/33/35/23/1103333523.db2.gz UKTRUNJTOHDEJJ-SFHVURJKSA-N 0 3 315.461 3.299 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001326536169 1103357297 /nfs/dbraw/zinc/35/72/97/1103357297.db2.gz HPDIEMBXACYHPH-LLVKDONJSA-N 0 3 317.336 3.258 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(C)cc1 ZINC001489325752 1103360396 /nfs/dbraw/zinc/36/03/96/1103360396.db2.gz HHKRJHCFYCEVDS-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC001114669118 1103372797 /nfs/dbraw/zinc/37/27/97/1103372797.db2.gz OWFTVLYHBRVJKB-AGXIHUBHSA-N 0 3 324.468 3.349 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114748023 1103423854 /nfs/dbraw/zinc/42/38/54/1103423854.db2.gz LNSYQLUPEGLRIV-CKNFYHOISA-N 0 3 316.420 3.289 20 30 DGEDHN C=C1CCC(C(=O)N2CCCC[C@@H]2CNC[C@@H](F)CC)CC1 ZINC001326736617 1103425740 /nfs/dbraw/zinc/42/57/40/1103425740.db2.gz UCQPXRUFYBQQNF-DLBZAZTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2(C(F)F)CC2)CCCCC1 ZINC001115536994 1103468248 /nfs/dbraw/zinc/46/82/48/1103468248.db2.gz RJEZCPGFTDIYLJ-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@@H](C)c2ccc(CC)cc2)CCC1 ZINC001326889417 1103470730 /nfs/dbraw/zinc/47/07/30/1103470730.db2.gz KJEDUJZNMZBZIN-MRXNPFEDSA-N 0 3 312.457 3.004 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(C(F)F)c(F)c2)CCC1 ZINC001326889562 1103471425 /nfs/dbraw/zinc/47/14/25/1103471425.db2.gz LFHCAZFWJNMYBE-UHFFFAOYSA-N 0 3 324.346 3.029 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001114835506 1103486092 /nfs/dbraw/zinc/48/60/92/1103486092.db2.gz LKBHHYDSGSSQKX-WOGUSJMUSA-N 0 3 312.457 3.111 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C=C)c1ccccc1 ZINC001276333027 1103505495 /nfs/dbraw/zinc/50/54/95/1103505495.db2.gz CIAPEZMBYZDUCU-AZUAARDMSA-N 0 3 324.468 3.340 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001327171192 1103566049 /nfs/dbraw/zinc/56/60/49/1103566049.db2.gz CAXHQAZVWDIJRC-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C#Cc1ccc(C(=O)NCCCN(C[C@@H](F)CC)C2CC2)cc1 ZINC001490380916 1103584722 /nfs/dbraw/zinc/58/47/22/1103584722.db2.gz LNNIWFYKASAMSK-KRWDZBQOSA-N 0 3 316.420 3.000 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCCN(C)Cc2cnccc2C)C1 ZINC001327259069 1103603622 /nfs/dbraw/zinc/60/36/22/1103603622.db2.gz YDMLABMQPKUCIG-UHFFFAOYSA-N 0 3 315.461 3.027 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001327257980 1103604375 /nfs/dbraw/zinc/60/43/75/1103604375.db2.gz LSEUSVBFTGXWCM-LJQANCHMSA-N 0 3 317.477 3.273 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001490450623 1103609117 /nfs/dbraw/zinc/60/91/17/1103609117.db2.gz TVXCEDVCHFZWBC-HNNXBMFYSA-N 0 3 319.449 3.267 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@H](c1ccccc1)C(C)C ZINC001327276921 1103610336 /nfs/dbraw/zinc/61/03/36/1103610336.db2.gz IWUZCTDBSWSVFB-IBGZPJMESA-N 0 3 314.473 3.230 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC001490430026 1103622513 /nfs/dbraw/zinc/62/25/13/1103622513.db2.gz ASYMRKHBPXHPIR-CQSZACIVSA-N 0 3 309.479 3.308 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001490568463 1103662959 /nfs/dbraw/zinc/66/29/59/1103662959.db2.gz MWPMRLDMDDCVKX-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001490594613 1103671671 /nfs/dbraw/zinc/67/16/71/1103671671.db2.gz HEEIZZGVGBAMPI-GPAKFWEMSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(Cl)cn2C)CC1 ZINC001490617136 1103682288 /nfs/dbraw/zinc/68/22/88/1103682288.db2.gz KFDNBIWDYZSRTC-UHFFFAOYSA-N 0 3 323.868 3.181 20 30 DGEDHN Cc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1Cl ZINC001202800218 1103694121 /nfs/dbraw/zinc/69/41/21/1103694121.db2.gz DPXPBVYRDKMWNU-CYBMUJFWSA-N 0 3 322.817 3.454 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)C(C)(C)F)cc2C1 ZINC001327682835 1103704395 /nfs/dbraw/zinc/70/43/95/1103704395.db2.gz QEGFTKDGAZGGGE-UHFFFAOYSA-N 0 3 304.409 3.333 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1cc(C)ccc1F)C1CC1 ZINC001490692740 1103706568 /nfs/dbraw/zinc/70/65/68/1103706568.db2.gz GDRBXRAWAPYYIZ-KRWDZBQOSA-N 0 3 318.436 3.331 20 30 DGEDHN C#CCCCCC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001327685522 1103707342 /nfs/dbraw/zinc/70/73/42/1103707342.db2.gz PIHZATILIJBCCB-UHFFFAOYSA-N 0 3 310.441 3.222 20 30 DGEDHN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C)OCC ZINC001110616267 1103712059 /nfs/dbraw/zinc/71/20/59/1103712059.db2.gz ARTOXWGSFKEYKR-BDXSIMOUSA-N 0 3 320.477 3.045 20 30 DGEDHN C=CCCCCC[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001327826062 1103734224 /nfs/dbraw/zinc/73/42/24/1103734224.db2.gz BLYBPMYIYUPEMN-RDJZCZTQSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001490790224 1103746582 /nfs/dbraw/zinc/74/65/82/1103746582.db2.gz FVRHGKJDSPCCQR-AEGPPILISA-N 0 3 312.404 3.062 20 30 DGEDHN CC[C@@H](C)N[C@H](CNC(=O)c1csc(C#N)c1)c1ccco1 ZINC001328001356 1103798790 /nfs/dbraw/zinc/79/87/90/1103798790.db2.gz UNRYJMOGQREHCV-BXUZGUMPSA-N 0 3 317.414 3.072 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CF)cc1)C2 ZINC001096633064 1103890188 /nfs/dbraw/zinc/89/01/88/1103890188.db2.gz YGCGBDUGZGGKHO-IKGGRYGDSA-N 0 3 302.393 3.067 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001490799038 1103893946 /nfs/dbraw/zinc/89/39/46/1103893946.db2.gz CXGBLHMIXHEYIC-XWTMOSNGSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001490799199 1103896172 /nfs/dbraw/zinc/89/61/72/1103896172.db2.gz JRJDNEOXGZQMLW-MCIONIFRSA-N 0 3 314.420 3.308 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2ccccc2n1 ZINC001328441348 1103948042 /nfs/dbraw/zinc/94/80/42/1103948042.db2.gz UUORXZVUPPYBMR-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC=C ZINC001328470179 1103959199 /nfs/dbraw/zinc/95/91/99/1103959199.db2.gz VIMJHRAVVIAWAM-LJQANCHMSA-N 0 3 310.441 3.082 20 30 DGEDHN C=C(C)CCN1CCOC2(CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001328485924 1103964666 /nfs/dbraw/zinc/96/46/66/1103964666.db2.gz QTTKXNSLNJYSAD-VKAVYKQESA-N 0 3 320.477 3.002 20 30 DGEDHN CS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001328619035 1103999864 /nfs/dbraw/zinc/99/98/64/1103999864.db2.gz CQYVCILXDHFPJX-KBPBESRZSA-N 0 3 305.403 3.182 20 30 DGEDHN N#Cc1ccc2nccc(C3=CC[C@H](N4CCOCC4)CC3)c2c1 ZINC001245423427 1104043960 /nfs/dbraw/zinc/04/39/60/1104043960.db2.gz HKLAWRBHMXKLES-KRWDZBQOSA-N 0 3 319.408 3.375 20 30 DGEDHN C/C(=N\O)c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245425039 1104044547 /nfs/dbraw/zinc/04/45/47/1104044547.db2.gz DEHXZDNUIKMHTP-XWALVKJWSA-N 0 3 300.402 3.153 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)cc1F ZINC001137184579 1104045549 /nfs/dbraw/zinc/04/55/49/1104045549.db2.gz DCCBOGFRNZXOMA-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001328910806 1104098548 /nfs/dbraw/zinc/09/85/48/1104098548.db2.gz DFOKIITXIUWPDK-CPCZMJQVSA-N 0 3 320.811 3.049 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1)CC ZINC001329011649 1104123237 /nfs/dbraw/zinc/12/32/37/1104123237.db2.gz BTTKWBNZZXMCMI-OLZOCXBDSA-N 0 3 319.474 3.349 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCC2CCC2)C12CCC2 ZINC001202703966 1104125057 /nfs/dbraw/zinc/12/50/57/1104125057.db2.gz MXZQNZLMJYRLJF-CABCVRRESA-N 0 3 310.869 3.336 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001278410662 1104126056 /nfs/dbraw/zinc/12/60/56/1104126056.db2.gz OVLUAXWGEXDKIC-YJBOKZPZSA-N 0 3 312.457 3.200 20 30 DGEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C[C@H]2C=CCCC2)cc1 ZINC001274120359 1104253204 /nfs/dbraw/zinc/25/32/04/1104253204.db2.gz ZKEDMUDYIGBRIT-CHYADLBTSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)CCc2ccccc2F)C1 ZINC001329539098 1104307657 /nfs/dbraw/zinc/30/76/57/1104307657.db2.gz FSPHTJOXNJECAF-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329543217 1104311377 /nfs/dbraw/zinc/31/13/77/1104311377.db2.gz WNJOBEWRSIFDOC-DNVCBOLYSA-N 0 3 318.461 3.234 20 30 DGEDHN CCCC[C@H](CC)CC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001154385594 1104318717 /nfs/dbraw/zinc/31/87/17/1104318717.db2.gz LYADNWBKKPMVML-MSOLQXFVSA-N 0 3 324.509 3.069 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2cccc(C(C)C)c2)C1=O ZINC001274269220 1104338653 /nfs/dbraw/zinc/33/86/53/1104338653.db2.gz MMNYFIHEPQVLTC-FQEVSTJZSA-N 0 3 310.441 3.010 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1ccc(F)cc1 ZINC001274338851 1104358056 /nfs/dbraw/zinc/35/80/56/1104358056.db2.gz IZGHKNCWZNQRMN-IPLHWJFFSA-N 0 3 304.409 3.190 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001274426337 1104383793 /nfs/dbraw/zinc/38/37/93/1104383793.db2.gz SLDYCUGETLWIMY-INIZCTEOSA-N 0 3 318.486 3.124 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)C(C)C ZINC001329874572 1104404042 /nfs/dbraw/zinc/40/40/42/1104404042.db2.gz IIPARTLAHBGUCJ-GOSISDBHSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001278433704 1104408996 /nfs/dbraw/zinc/40/89/96/1104408996.db2.gz MDQWSLLUMSYLTD-HXUWFJFHSA-N 0 3 314.473 3.393 20 30 DGEDHN Cc1cc(CN2CCCCC[C@@H]2CNC(=O)[C@H](C)C#N)cs1 ZINC001329909261 1104418896 /nfs/dbraw/zinc/41/88/96/1104418896.db2.gz PPMFETPCSSNVJA-CZUORRHYSA-N 0 3 319.474 3.077 20 30 DGEDHN Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@H](C)C#N)cs1 ZINC001329909260 1104418983 /nfs/dbraw/zinc/41/89/83/1104418983.db2.gz PPMFETPCSSNVJA-CJNGLKHVSA-N 0 3 319.474 3.077 20 30 DGEDHN COc1cc(CNCc2ccc(N3CCCC3)cc2)ccc1C#N ZINC001329957216 1104437687 /nfs/dbraw/zinc/43/76/87/1104437687.db2.gz MSAYMGRQAKXWRA-UHFFFAOYSA-N 0 3 321.424 3.457 20 30 DGEDHN COc1cc(CN(C)C)ccc1NC(=O)c1cccc(C#N)c1C ZINC001329959530 1104438253 /nfs/dbraw/zinc/43/82/53/1104438253.db2.gz AUAUUYYVGLFABD-UHFFFAOYSA-N 0 3 323.396 3.189 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001330230544 1104514448 /nfs/dbraw/zinc/51/44/48/1104514448.db2.gz PUXIBPJAEKHHTJ-KRWDZBQOSA-N 0 3 300.446 3.370 20 30 DGEDHN CCCCCCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1 ZINC001274863044 1104523818 /nfs/dbraw/zinc/52/38/18/1104523818.db2.gz NNHXRXZZNRDXKY-UHFFFAOYSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001275029911 1104583425 /nfs/dbraw/zinc/58/34/25/1104583425.db2.gz KAZWTQTYBZSAED-WQVGZBJRSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C=C1CCCCC1 ZINC001275095069 1104620271 /nfs/dbraw/zinc/62/02/71/1104620271.db2.gz XIDUEVVYIQWYOB-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN CCC[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001275098697 1104626125 /nfs/dbraw/zinc/62/61/25/1104626125.db2.gz IMJLWEUOQOKMHW-GJZGRUSLSA-N 0 3 320.864 3.222 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001330733186 1104633709 /nfs/dbraw/zinc/63/37/09/1104633709.db2.gz LPXJAUGBRDCLSL-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1F ZINC001275121991 1104636027 /nfs/dbraw/zinc/63/60/27/1104636027.db2.gz UPFGOICNGSSLDL-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN CCCCCCCN1CC2(C1)CN(C(=O)CCc1ccc[nH]1)C2 ZINC001275125868 1104636823 /nfs/dbraw/zinc/63/68/23/1104636823.db2.gz DUNOZFCRYZBPNI-UHFFFAOYSA-N 0 3 317.477 3.062 20 30 DGEDHN CCCCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275130617 1104641085 /nfs/dbraw/zinc/64/10/85/1104641085.db2.gz CGTCULARUNKVGR-HDICACEKSA-N 0 3 304.482 3.419 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001275135741 1104644222 /nfs/dbraw/zinc/64/42/22/1104644222.db2.gz NNCPBKCBIPIBAX-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)C#CC(C)(C)C ZINC001275149799 1104650766 /nfs/dbraw/zinc/65/07/66/1104650766.db2.gz MNTRBHHDQIJFLI-KBPBESRZSA-N 0 3 304.409 3.031 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001275175559 1104665153 /nfs/dbraw/zinc/66/51/53/1104665153.db2.gz IZMHHKMNIYTPCN-HKUYNNGSSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001275175408 1104667630 /nfs/dbraw/zinc/66/76/30/1104667630.db2.gz IMLFZBHZMCHLAQ-QAPCUYQASA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]([C@H]2CCN(CCF)C2)C1 ZINC001275183001 1104668707 /nfs/dbraw/zinc/66/87/07/1104668707.db2.gz AZVHMYMZOFAVMK-ROUUACIJSA-N 0 3 322.468 3.285 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001279174616 1104673160 /nfs/dbraw/zinc/67/31/60/1104673160.db2.gz VCZURPKOALHALV-FUHWJXTLSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](CC)C(C)(C)C)CCC[C@H]12 ZINC001278466142 1104677616 /nfs/dbraw/zinc/67/76/16/1104677616.db2.gz GURBRGHCDPTYKR-JTDSTZFVSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCC3CCCCC3)CCC[C@@H]12 ZINC001278467517 1104696054 /nfs/dbraw/zinc/69/60/54/1104696054.db2.gz RBKQJXPGUXWJTR-IEBWSBKVSA-N 0 3 302.462 3.093 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H](C)C1CCCC1 ZINC001275406136 1104749329 /nfs/dbraw/zinc/74/93/29/1104749329.db2.gz LEUAKFDAPSAWDG-STQMWFEESA-N 0 3 319.474 3.040 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccnc(Cl)c1 ZINC001275460171 1104766955 /nfs/dbraw/zinc/76/69/55/1104766955.db2.gz JOIMVFXPOXXMOS-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN N#Cc1cc(F)cc(-c2noc(C[C@@H](N)c3cccs3)n2)c1 ZINC001247258738 1104853153 /nfs/dbraw/zinc/85/31/53/1104853153.db2.gz CFTUBDMZSFLODV-GFCCVEGCSA-N 0 3 314.345 3.051 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@H]1CCCc2ccccc21 ZINC001275706768 1104873472 /nfs/dbraw/zinc/87/34/72/1104873472.db2.gz LRBNOYBPKCXAIL-DOTOQJQBSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@H]1CNCc1nccs1 ZINC001275789921 1104909129 /nfs/dbraw/zinc/90/91/29/1104909129.db2.gz DYTYMVPQKHRCRT-GJZGRUSLSA-N 0 3 321.490 3.264 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC3(CCN3C3CCCC3)C2)c1F ZINC001275811856 1104917513 /nfs/dbraw/zinc/91/75/13/1104917513.db2.gz XRZLLACTWFSIAG-UHFFFAOYSA-N 0 3 317.383 3.039 20 30 DGEDHN C=CCCCCCCN1CC2(C1)CCN(C(=O)NC(C)C)C2 ZINC001276040739 1105003553 /nfs/dbraw/zinc/00/35/53/1105003553.db2.gz AHRABWAVRDRJBO-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCCCCCCCN1C[C@H]2CC[C@@H](C1)N2COCCOC ZINC001276042720 1105004282 /nfs/dbraw/zinc/00/42/82/1105004282.db2.gz DOPJSRYGRMDLED-KDURUIRLSA-N 0 3 324.509 3.282 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2oc(C)nc2C)CCCCC1 ZINC001276188344 1105042047 /nfs/dbraw/zinc/04/20/47/1105042047.db2.gz IHRKSUOHNIKNPM-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2c[nH]cc2C)CCCCC1 ZINC001276237486 1105058118 /nfs/dbraw/zinc/05/81/18/1105058118.db2.gz MMMSLBAMZZNJKL-UHFFFAOYSA-N 0 3 309.841 3.098 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2cc(F)ccc2o1 ZINC001276258782 1105065446 /nfs/dbraw/zinc/06/54/46/1105065446.db2.gz OHDONIIHKGCGMQ-UHFFFAOYSA-N 0 3 324.783 3.376 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001490818236 1105065996 /nfs/dbraw/zinc/06/59/96/1105065996.db2.gz AOCVSIYYQCHDFA-KRWDZBQOSA-N 0 3 324.424 3.317 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3ccccc31)C2 ZINC001095621033 1105091504 /nfs/dbraw/zinc/09/15/04/1105091504.db2.gz LZHNYBUIRRROQS-GTAWCEEGSA-N 0 3 324.468 3.404 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c3ccccc13)C2 ZINC001095706313 1105100112 /nfs/dbraw/zinc/10/01/12/1105100112.db2.gz HPBBXYHDGHDYNP-LJHODMEESA-N 0 3 323.440 3.090 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110900920 1105107126 /nfs/dbraw/zinc/10/71/26/1105107126.db2.gz XRBKMMHSAJWNGW-KURKYZTESA-N 0 3 302.462 3.258 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)CC1 ZINC001110987877 1105135004 /nfs/dbraw/zinc/13/50/04/1105135004.db2.gz JALKQOUWBFALBB-JJXSEGSLSA-N 0 3 308.441 3.202 20 30 DGEDHN N#Cc1ccc2cc(CN3CC[C@@H](c4ccccn4)C3)[nH]c2c1 ZINC001249428939 1105285678 /nfs/dbraw/zinc/28/56/78/1105285678.db2.gz HNSSYACTBKSVDV-MRXNPFEDSA-N 0 3 302.381 3.424 20 30 DGEDHN CN(Cc1cc2ccc(C#N)cc2[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001249431210 1105286858 /nfs/dbraw/zinc/28/68/58/1105286858.db2.gz YIZVIEURLXRJKX-SFHVURJKSA-N 0 3 317.392 3.475 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc3c2CCC3)C1 ZINC001249459511 1105291789 /nfs/dbraw/zinc/29/17/89/1105291789.db2.gz XRHJJPKFTOUVCI-QGZVFWFLSA-N 0 3 314.429 3.052 20 30 DGEDHN CCc1cc(C#N)ccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249555214 1105312225 /nfs/dbraw/zinc/31/22/25/1105312225.db2.gz HWWFZMPKQGNRMA-SFHVURJKSA-N 0 3 311.429 3.301 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CCOC(C)C)[C@H]2C)CC1 ZINC001278521974 1105332658 /nfs/dbraw/zinc/33/26/58/1105332658.db2.gz SBDXSLJYQBTGQU-WMZOPIPTSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1C)C2 ZINC001097114690 1105349629 /nfs/dbraw/zinc/34/96/29/1105349629.db2.gz OVOOVFDVYFPIRN-XYPHTWIQSA-N 0 3 302.393 3.045 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccsc1)C2 ZINC001097832513 1105453622 /nfs/dbraw/zinc/45/36/22/1105453622.db2.gz RDHCXSBJZAIYRM-XZDPQHSOSA-N 0 3 304.459 3.149 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1Cl)C2 ZINC001097896813 1105459487 /nfs/dbraw/zinc/45/94/87/1105459487.db2.gz CROLIKYSACBJOQ-XYPHTWIQSA-N 0 3 316.832 3.007 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)(F)CC1)C2 ZINC001097925380 1105465538 /nfs/dbraw/zinc/46/55/38/1105465538.db2.gz IOQLFZAQSMZLSD-KFWWJZLASA-N 0 3 312.404 3.110 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C(C)C)C2 ZINC001097999262 1105496237 /nfs/dbraw/zinc/49/62/37/1105496237.db2.gz MYKMBSVQQWMAPI-MCIONIFRSA-N 0 3 319.474 3.178 20 30 DGEDHN CN1CCN(Cc2cccc(-c3ccc(F)c(C#N)c3)c2)CC1 ZINC001250635718 1105551641 /nfs/dbraw/zinc/55/16/41/1105551641.db2.gz CHWMGKZYNDEERB-UHFFFAOYSA-N 0 3 309.388 3.112 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnoc1C(C)C)C2 ZINC001098141567 1105555144 /nfs/dbraw/zinc/55/51/44/1105555144.db2.gz BQVODCZCYVFWBU-BMFZPTHFSA-N 0 3 317.433 3.099 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)c(CC)o1)C2 ZINC001098225119 1105562100 /nfs/dbraw/zinc/56/21/00/1105562100.db2.gz VMYBAXWLLJUXKM-OAGGEKHMSA-N 0 3 316.445 3.316 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC001098256771 1105564092 /nfs/dbraw/zinc/56/40/92/1105564092.db2.gz HVRJMQVORIOINL-OAGGEKHMSA-N 0 3 304.821 3.251 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CCCCC3)CC1)C2 ZINC001098289378 1105567719 /nfs/dbraw/zinc/56/77/19/1105567719.db2.gz ZRHYFCLEPFDJHH-KURKYZTESA-N 0 3 314.473 3.092 20 30 DGEDHN CC(C)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C#N)CC2)cc1 ZINC001250758094 1105577936 /nfs/dbraw/zinc/57/79/36/1105577936.db2.gz IQUDLGAXCUNQID-AEFFLSMTSA-N 0 3 316.445 3.175 20 30 DGEDHN C=C[C@@H](NC[C@H](O)COc1ccc(F)cc1F)c1ccccc1 ZINC001250888237 1105600304 /nfs/dbraw/zinc/60/03/04/1105600304.db2.gz LPLYENWDMNCELH-DOTOQJQBSA-N 0 3 319.351 3.221 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001098851535 1105608724 /nfs/dbraw/zinc/60/87/24/1105608724.db2.gz RCXZIRZCBIVRNG-HBFSDRIKSA-N 0 3 314.473 3.117 20 30 DGEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CC(=C)C ZINC001098960937 1105619243 /nfs/dbraw/zinc/61/92/43/1105619243.db2.gz UDBZFOVLZHGNPO-IAGOWNOFSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nccc3ccccc32)C1 ZINC001099000137 1105625208 /nfs/dbraw/zinc/62/52/08/1105625208.db2.gz BBURBHXHOAMWFQ-JXFKEZNVSA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001099038673 1105633458 /nfs/dbraw/zinc/63/34/58/1105633458.db2.gz MEONLRYKROLAQC-DLBZAZTESA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OCC)C(C)C ZINC001099074091 1105638720 /nfs/dbraw/zinc/63/87/20/1105638720.db2.gz HWFSKTQTOVYNDU-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccc(C)cc1 ZINC001099135078 1105647931 /nfs/dbraw/zinc/64/79/31/1105647931.db2.gz HEPHULKSJXOXNJ-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC(F)F ZINC001099144777 1105648923 /nfs/dbraw/zinc/64/89/23/1105648923.db2.gz MVWPAXCXTFPQGV-STQMWFEESA-N 0 3 302.409 3.071 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001099152987 1105650915 /nfs/dbraw/zinc/65/09/15/1105650915.db2.gz CGYCNJKPZDDFBB-AXVVYFOYSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3cnccc32)C1 ZINC001099162718 1105651914 /nfs/dbraw/zinc/65/19/14/1105651914.db2.gz QTOMSBPUEPWGKE-JXFKEZNVSA-N 0 3 321.424 3.005 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001099187173 1105655958 /nfs/dbraw/zinc/65/59/58/1105655958.db2.gz IZCJUQOGMQYSRK-UWVAXJGDSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(C)(F)F)CC1 ZINC001099239911 1105661328 /nfs/dbraw/zinc/66/13/28/1105661328.db2.gz MQSDDUNDBDCBFS-CYBMUJFWSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001099257934 1105662279 /nfs/dbraw/zinc/66/22/79/1105662279.db2.gz LZDHBCQPGXUDHL-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cccc1 ZINC001099310168 1105667604 /nfs/dbraw/zinc/66/76/04/1105667604.db2.gz IVDCCWFIXGTAFR-DLBZAZTESA-N 0 3 317.477 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)COCCCCCC ZINC001099320807 1105668537 /nfs/dbraw/zinc/66/85/37/1105668537.db2.gz MLAMXBGHKFHPMQ-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cccc1 ZINC001099350286 1105671260 /nfs/dbraw/zinc/67/12/60/1105671260.db2.gz 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C=CCC1(C(=O)N[C@@H](C)[C@H]2CCCN(CC#CC)C2)CCCC1 ZINC001491300970 1105803487 /nfs/dbraw/zinc/80/34/87/1105803487.db2.gz WVRMIEDMPCOUFU-ROUUACIJSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccsc2Cl)C1 ZINC001278681458 1105826553 /nfs/dbraw/zinc/82/65/53/1105826553.db2.gz GCKBRZQPACZHAZ-OAHLLOKOSA-N 0 3 312.866 3.419 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001100766868 1105845130 /nfs/dbraw/zinc/84/51/30/1105845130.db2.gz BAJULEASBIAYSQ-HSBZDZAISA-N 0 3 324.827 3.166 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccoc2CCC)C1 ZINC001278686698 1105853114 /nfs/dbraw/zinc/85/31/14/1105853114.db2.gz MKRPBHGXYTXZKU-IBGZPJMESA-N 0 3 316.445 3.087 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001100854981 1105856467 /nfs/dbraw/zinc/85/64/67/1105856467.db2.gz LGQHTWOEHJEPNB-GRTSSRMGSA-N 0 3 300.874 3.296 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC001101137948 1105890290 /nfs/dbraw/zinc/89/02/90/1105890290.db2.gz UHVZNGXHGBYLBQ-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(OC)nc1OC ZINC001253254351 1105913058 /nfs/dbraw/zinc/91/30/58/1105913058.db2.gz BMCHFNGAGOSBSA-MRXNPFEDSA-N 0 3 322.449 3.076 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001101379117 1105915112 /nfs/dbraw/zinc/91/51/12/1105915112.db2.gz WMAYURLEWUZNCO-VKJFTORMSA-N 0 3 310.457 3.117 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)CCCCCC)C[C@]2(C)C1 ZINC001101399333 1105916245 /nfs/dbraw/zinc/91/62/45/1105916245.db2.gz VUOFNMPCWASMQO-LMMKCTJWSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](CC)C(C)(C)C)C[C@]2(C)C1 ZINC001101428918 1105918220 /nfs/dbraw/zinc/91/82/20/1105918220.db2.gz SISGNSUGSJDNLD-HLIPFELVSA-N 0 3 318.505 3.252 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)CCCCC)C[C@]2(C)C1 ZINC001101470183 1105920102 /nfs/dbraw/zinc/92/01/02/1105920102.db2.gz DBHSGJAOKOERHI-APWZRJJASA-N 0 3 304.478 3.006 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001278747344 1106000084 /nfs/dbraw/zinc/00/00/84/1106000084.db2.gz LCIBMNDAPKKGPD-UKRRQHHQSA-N 0 3 302.409 3.072 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C=C/c2ccco2)C1 ZINC001102641332 1106085003 /nfs/dbraw/zinc/08/50/03/1106085003.db2.gz HTKIKSIQXIQVAG-FHTYSXSTSA-N 0 3 322.836 3.120 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC)c1ccc(F)cc1 ZINC001254543897 1106100005 /nfs/dbraw/zinc/10/00/05/1106100005.db2.gz AZKZHNBUGNRLSX-PBHICJAKSA-N 0 3 304.409 3.456 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1[C@@H]1CC[C@H](C#N)C1 ZINC001254667305 1106127250 /nfs/dbraw/zinc/12/72/50/1106127250.db2.gz ANYZXQZSSAHQQX-CBBWQLFWSA-N 0 3 307.438 3.056 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001254662203 1106127842 /nfs/dbraw/zinc/12/78/42/1106127842.db2.gz CXEAJIQOIYWVMB-HIFRSBDPSA-N 0 3 324.453 3.298 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CCCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254669554 1106128651 /nfs/dbraw/zinc/12/86/51/1106128651.db2.gz SOJXBVJYQCGVAE-LSDHHAIUSA-N 0 3 319.449 3.012 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001254669492 1106128694 /nfs/dbraw/zinc/12/86/94/1106128694.db2.gz RWVRXLHNUHNEBU-YOEHRIQHSA-N 0 3 324.428 3.191 20 30 DGEDHN N#C[C@H]1CC[C@H](N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001254673457 1106131038 /nfs/dbraw/zinc/13/10/38/1106131038.db2.gz LEMUHUMIZQIMBU-AAEUAGOBSA-N 0 3 313.228 3.480 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001103146087 1106165043 /nfs/dbraw/zinc/16/50/43/1106165043.db2.gz XUOBMSIALSVGFW-BPLDGKMQSA-N 0 3 314.901 3.495 20 30 DGEDHN N#CCCN(Cc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001255111669 1106182072 /nfs/dbraw/zinc/18/20/72/1106182072.db2.gz SYLYZPGDVRGADK-FQEVSTJZSA-N 0 3 320.440 3.072 20 30 DGEDHN CC[C@@H](CC#N)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255152373 1106191900 /nfs/dbraw/zinc/19/19/00/1106191900.db2.gz SPGQBWOGQARRAU-XQLPTFJDSA-N 0 3 307.438 3.199 20 30 DGEDHN CC[C@@H](CC#N)NC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC001255160599 1106194389 /nfs/dbraw/zinc/19/43/89/1106194389.db2.gz MIMWOXCGAXKNCW-INIZCTEOSA-N 0 3 307.388 3.211 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2ccc(C)cc2F)CC1 ZINC001255161269 1106194950 /nfs/dbraw/zinc/19/49/50/1106194950.db2.gz XJUQCCJBHWMLAF-MRXNPFEDSA-N 0 3 303.425 3.380 20 30 DGEDHN CC[C@@H](CC#N)N(CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255178515 1106200315 /nfs/dbraw/zinc/20/03/15/1106200315.db2.gz HLOPTZWGFCJVGJ-CABCVRRESA-N 0 3 309.454 3.258 20 30 DGEDHN C=CCN1CCC[C@@H](N[C@H](C)CSc2ccc(F)cc2)C1=O ZINC001255736119 1106304507 /nfs/dbraw/zinc/30/45/07/1106304507.db2.gz SLKJQANSDFYNGT-CZUORRHYSA-N 0 3 322.449 3.073 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(C1CCCCCC1)CC2 ZINC001255888757 1106339089 /nfs/dbraw/zinc/33/90/89/1106339089.db2.gz DGSHPSOHADIPCR-UHFFFAOYSA-N 0 3 303.450 3.204 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001255899306 1106341545 /nfs/dbraw/zinc/34/15/45/1106341545.db2.gz LVDVBNPRQXHLQW-KRWDZBQOSA-N 0 3 314.429 3.027 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C(C)C)nc1)C(C)C ZINC001278908703 1106364861 /nfs/dbraw/zinc/36/48/61/1106364861.db2.gz VTVPNTPOGBGYFW-UHFFFAOYSA-N 0 3 315.461 3.011 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001256115448 1106371014 /nfs/dbraw/zinc/37/10/14/1106371014.db2.gz GJMNJXCXGZIFPQ-KRWDZBQOSA-N 0 3 317.452 3.118 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1cccc(CC)c1)C(C)C ZINC001278912808 1106373061 /nfs/dbraw/zinc/37/30/61/1106373061.db2.gz ZFGBNQKQYNUAJY-UHFFFAOYSA-N 0 3 302.462 3.146 20 30 DGEDHN CCCCN(CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256292708 1106400263 /nfs/dbraw/zinc/40/02/63/1106400263.db2.gz DJJXBXKMHWVAHI-UHFFFAOYSA-N 0 3 309.454 3.402 20 30 DGEDHN C[C@H]1C[C@@H](NCc2cc(C#N)co2)CCN1C(=O)OC(C)(C)C ZINC001256464960 1106426879 /nfs/dbraw/zinc/42/68/79/1106426879.db2.gz CXFKGAMOFUKQCS-JSGCOSHPSA-N 0 3 319.405 3.029 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001278940979 1106430673 /nfs/dbraw/zinc/43/06/73/1106430673.db2.gz XYOWNSVQBDLAPW-DOMZBBRYSA-N 0 3 321.490 3.286 20 30 DGEDHN CC[C@H](CC#N)NC1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256663310 1106464692 /nfs/dbraw/zinc/46/46/92/1106464692.db2.gz LJVYTIMZOVUVCN-WLYUNCDWSA-N 0 3 309.454 3.446 20 30 DGEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(C#N)CC2)C(C)(C)C1 ZINC001256970021 1106518598 /nfs/dbraw/zinc/51/85/98/1106518598.db2.gz SBMPQACKNXHUNO-UHFFFAOYSA-N 0 3 321.465 3.400 20 30 DGEDHN CC[C@@H](CC#N)NC1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257841085 1106633979 /nfs/dbraw/zinc/63/39/79/1106633979.db2.gz HSDZOKQRPNKRQD-QGPPMGRFSA-N 0 3 321.465 3.304 20 30 DGEDHN N#Cc1cc(CN[C@@H]2COc3ccc(Cl)cc3C2)cs1 ZINC001257955729 1106650615 /nfs/dbraw/zinc/65/06/15/1106650615.db2.gz KVPYCKBKFNESDA-ZDUSSCGKSA-N 0 3 304.802 3.366 20 30 DGEDHN CCCCCCC[C@@H](C)N1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001258047656 1106663990 /nfs/dbraw/zinc/66/39/90/1106663990.db2.gz NJSFAOBUSOACEC-IEBWSBKVSA-N 0 3 324.509 3.449 20 30 DGEDHN CCCCCCCCCCC[C@H](C)NS(=O)(=O)CCN ZINC001258052441 1106664918 /nfs/dbraw/zinc/66/49/18/1106664918.db2.gz PIONLKYLASRSOY-HNNXBMFYSA-N 0 3 306.516 3.174 20 30 DGEDHN N#CC1(CNC2CCN(c3cccc(F)c3)CC2)CCCC1 ZINC001258406356 1106732142 /nfs/dbraw/zinc/73/21/42/1106732142.db2.gz CBLRDIXYYCNCHP-UHFFFAOYSA-N 0 3 301.409 3.468 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC001320061232 1106833987 /nfs/dbraw/zinc/83/39/87/1106833987.db2.gz HYPFTLGWEWOKLP-UHFFFAOYSA-N 0 3 300.446 3.011 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001317003103 1106884052 /nfs/dbraw/zinc/88/40/52/1106884052.db2.gz XIJRZSBNBUKFSL-FUHWJXTLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC001317006380 1106890632 /nfs/dbraw/zinc/89/06/32/1106890632.db2.gz SRZIGVNAYJWKEE-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](CC)OCC)CC1 ZINC001317008137 1106893228 /nfs/dbraw/zinc/89/32/28/1106893228.db2.gz QIDIUSLPVNSKAF-KRWDZBQOSA-N 0 3 310.482 3.081 20 30 DGEDHN O=C(CCCC1CC1)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001317028821 1106919083 /nfs/dbraw/zinc/91/90/83/1106919083.db2.gz WYUUGXYZDJENRH-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN CCCC[C@H](Cc1ccccc1)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258708645 1106922890 /nfs/dbraw/zinc/92/28/90/1106922890.db2.gz BQJDDDFUWPOQFR-UAGQMJEPSA-N 0 3 306.450 3.298 20 30 DGEDHN C=CCC[C@@H](C)N1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001258730962 1106936884 /nfs/dbraw/zinc/93/68/84/1106936884.db2.gz RRZLMAMRANGFAT-CQSZACIVSA-N 0 3 303.450 3.060 20 30 DGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC001320306574 1106954869 /nfs/dbraw/zinc/95/48/69/1106954869.db2.gz WYMFQUNEJAVBGF-AAEUAGOBSA-N 0 3 303.324 3.479 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001317086651 1106982343 /nfs/dbraw/zinc/98/23/43/1106982343.db2.gz HKELDFHKXCPQBK-UVBJJODRSA-N 0 3 324.827 3.309 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001317111004 1107006293 /nfs/dbraw/zinc/00/62/93/1107006293.db2.gz ZIHRMHWDOUMJAK-TXEJJXNPSA-N 0 3 324.877 3.188 20 30 DGEDHN COc1ccccc1C[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001258878838 1107032281 /nfs/dbraw/zinc/03/22/81/1107032281.db2.gz ACQYANLFALUJAJ-NSHDSACASA-N 0 3 303.793 3.080 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C)cc1Cl ZINC001320555540 1107052888 /nfs/dbraw/zinc/05/28/88/1107052888.db2.gz CAZRDHSYUNIRFV-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1C ZINC001320645348 1107087559 /nfs/dbraw/zinc/08/75/59/1107087559.db2.gz NYRVXOUSBGPQOP-CABCVRRESA-N 0 3 308.853 3.335 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CCC)CC1 ZINC001317210362 1107131012 /nfs/dbraw/zinc/13/10/12/1107131012.db2.gz XOTGVNFKCCDXRC-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN N#CCOc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC001320803421 1107144237 /nfs/dbraw/zinc/14/42/37/1107144237.db2.gz JPUCKSQPPVAKMV-UHFFFAOYSA-N 0 3 324.409 3.330 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(C)c(C)c1Cl ZINC001320891780 1107179018 /nfs/dbraw/zinc/17/90/18/1107179018.db2.gz RRLLJXQLOKTGJW-UHFFFAOYSA-N 0 3 306.837 3.032 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc(Cl)ccc1Cl ZINC001320902969 1107184292 /nfs/dbraw/zinc/18/42/92/1107184292.db2.gz SOHCVAQYILMYLX-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CCC(C)(C)c1ccccc1 ZINC001320931050 1107193592 /nfs/dbraw/zinc/19/35/92/1107193592.db2.gz XDPMJXZCUCAGLT-UHFFFAOYSA-N 0 3 314.473 3.206 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001317283464 1107207863 /nfs/dbraw/zinc/20/78/63/1107207863.db2.gz WWGTTXKVVLLPAR-ZFWWWQNUSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H](C)NCc1cccnc1)c1ccccc1 ZINC001317294271 1107215964 /nfs/dbraw/zinc/21/59/64/1107215964.db2.gz KCRBULNAAPWSHL-SJLPKXTDSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001299674461 1107273155 /nfs/dbraw/zinc/27/31/55/1107273155.db2.gz JIBJIAQZLURSED-MSOLQXFVSA-N 0 3 312.457 3.322 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H]2CC2(C)C)cc1 ZINC001317371479 1107274871 /nfs/dbraw/zinc/27/48/71/1107274871.db2.gz VLMHFPATYZAKDQ-INIZCTEOSA-N 0 3 320.864 3.234 20 30 DGEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001317397857 1107313548 /nfs/dbraw/zinc/31/35/48/1107313548.db2.gz NMTOUPYKMFHILZ-VXGBXAGGSA-N 0 3 319.287 3.062 20 30 DGEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2ocnc2C)CCCC1 ZINC001317417578 1107340810 /nfs/dbraw/zinc/34/08/10/1107340810.db2.gz MUIFNDBUSJQPHW-CQSZACIVSA-N 0 3 319.449 3.104 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321500203 1107367866 /nfs/dbraw/zinc/36/78/66/1107367866.db2.gz PCQUDEWPHWIJPN-JKSUJKDBSA-N 0 3 318.436 3.098 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001321511500 1107370320 /nfs/dbraw/zinc/37/03/20/1107370320.db2.gz PTPXDMXSJVQOGS-IKESIWSLSA-N 0 3 318.848 3.142 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C2CCCCC2)C1 ZINC001261256265 1107379075 /nfs/dbraw/zinc/37/90/75/1107379075.db2.gz XJCNHUWQTVBPNI-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001317449374 1107390964 /nfs/dbraw/zinc/39/09/64/1107390964.db2.gz ORCCSADAOKIZBV-QZTJIDSGSA-N 0 3 300.446 3.194 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(CC)Cc2ccccc2C)cc1 ZINC001317483286 1107437979 /nfs/dbraw/zinc/43/79/79/1107437979.db2.gz FDLJPVNBBFOSQI-UHFFFAOYSA-N 0 3 320.436 3.228 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001317530098 1107493302 /nfs/dbraw/zinc/49/33/02/1107493302.db2.gz TVGKMIZPOUCKLV-MSOLQXFVSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001317530099 1107493872 /nfs/dbraw/zinc/49/38/72/1107493872.db2.gz TVGKMIZPOUCKLV-QZTJIDSGSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCN(C[C@H](F)CC)C2)CCCC1 ZINC001317538698 1107498996 /nfs/dbraw/zinc/49/89/96/1107498996.db2.gz KSKSYQSCVYSWEK-HZPDHXFCSA-N 0 3 310.457 3.309 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2nc(C)ccc2c1)C1CC1 ZINC001317557614 1107537101 /nfs/dbraw/zinc/53/71/01/1107537101.db2.gz FFVUULAIUHJSLS-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1Cc2ccc(Cl)cc21)C1CC1 ZINC001317560086 1107541894 /nfs/dbraw/zinc/54/18/94/1107541894.db2.gz UFPUUXHVWOQDKV-QGZVFWFLSA-N 0 3 318.848 3.136 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)Cc1cccc(F)c1)C1CC1 ZINC001317561182 1107544210 /nfs/dbraw/zinc/54/42/10/1107544210.db2.gz WAJHCSLCDOLSOY-HNNXBMFYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1[nH]c2ccccc2c1Cl ZINC001322197497 1107565837 /nfs/dbraw/zinc/56/58/37/1107565837.db2.gz UXGLUKBCIZUQOV-LLVKDONJSA-N 0 3 305.809 3.057 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001322268529 1107602181 /nfs/dbraw/zinc/60/21/81/1107602181.db2.gz DICQQICONUUUJR-MAUKXSAKSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001322273111 1107604208 /nfs/dbraw/zinc/60/42/08/1107604208.db2.gz CWIXBKAKDHUIGZ-HNNXBMFYSA-N 0 3 302.462 3.149 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC001317721684 1107623278 /nfs/dbraw/zinc/62/32/78/1107623278.db2.gz IZOLNZNRJQEHFV-HXUWFJFHSA-N 0 3 322.452 3.479 20 30 DGEDHN C#CCC1(C(=O)N[C@@H](C)CN(C)CC=C(C)C)CCCCC1 ZINC001322307638 1107624333 /nfs/dbraw/zinc/62/43/33/1107624333.db2.gz QTKBBMPYWUWRRS-KRWDZBQOSA-N 0 3 304.478 3.363 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cc(CCC)on2)C1 ZINC001317770618 1107654752 /nfs/dbraw/zinc/65/47/52/1107654752.db2.gz TXCVJLGXKYHKPY-HNNXBMFYSA-N 0 3 319.449 3.130 20 30 DGEDHN C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001317918290 1107743081 /nfs/dbraw/zinc/74/30/81/1107743081.db2.gz AYSWNFRPDWKDCB-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001317918290 1107743096 /nfs/dbraw/zinc/74/30/96/1107743096.db2.gz AYSWNFRPDWKDCB-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001317931616 1107751538 /nfs/dbraw/zinc/75/15/38/1107751538.db2.gz WFLGYRCQACLMON-CHWSQXEVSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001317948184 1107759061 /nfs/dbraw/zinc/75/90/61/1107759061.db2.gz WYBICIFOAVQOFI-CQSZACIVSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001323168274 1107858065 /nfs/dbraw/zinc/85/80/65/1107858065.db2.gz KZPUNXKROFCMRW-QGZVFWFLSA-N 0 3 304.409 3.376 20 30 DGEDHN CC1CCC(CN2CC[C@H]2CNC(=O)C#CC(C)(C)C)CC1 ZINC001323225796 1107892963 /nfs/dbraw/zinc/89/29/63/1107892963.db2.gz KJDBTRGGDCDCLY-JCYILVPMSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CC ZINC001318196237 1107893372 /nfs/dbraw/zinc/89/33/72/1107893372.db2.gz OZXWOWQEOSXNFV-HOTGVXAUSA-N 0 3 315.461 3.222 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(C)c1 ZINC001318205683 1107895136 /nfs/dbraw/zinc/89/51/36/1107895136.db2.gz KVDOMGCIUMCZCJ-OALUTQOASA-N 0 3 312.457 3.179 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CC1 ZINC001318228760 1107908132 /nfs/dbraw/zinc/90/81/32/1107908132.db2.gz QGOMTLWLYHSGTF-NJAFHUGGSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001323302556 1107925198 /nfs/dbraw/zinc/92/51/98/1107925198.db2.gz PFPRHQXHZUNKFU-NVXWUHKLSA-N 0 3 315.461 3.364 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001263100701 1107945289 /nfs/dbraw/zinc/94/52/89/1107945289.db2.gz VGMDAKBNVCZRNH-VXGBXAGGSA-N 0 3 309.479 3.301 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccsc1C(F)F ZINC001323340884 1107946311 /nfs/dbraw/zinc/94/63/11/1107946311.db2.gz RHOCUIJGTLBFHP-LLVKDONJSA-N 0 3 314.401 3.456 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001318349602 1107953875 /nfs/dbraw/zinc/95/38/75/1107953875.db2.gz PWBBSMGNOFZAMA-FUHWJXTLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC001263164849 1107964498 /nfs/dbraw/zinc/96/44/98/1107964498.db2.gz JIDJIONWFZJPNE-CQSZACIVSA-N 0 3 318.808 3.352 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001263290766 1108000793 /nfs/dbraw/zinc/00/07/93/1108000793.db2.gz BPUNKXMLJKMGLC-FZMZJTMJSA-N 0 3 322.355 3.084 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2cc(C)cc(C)c2)C1 ZINC001318443298 1108011832 /nfs/dbraw/zinc/01/18/32/1108011832.db2.gz VQZDTIUSCIPYQN-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](CC(C)C)c2ccccc2)CC1 ZINC001323567490 1108017095 /nfs/dbraw/zinc/01/70/95/1108017095.db2.gz NUNHBBISSSBHHE-GOSISDBHSA-N 0 3 312.457 3.078 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001318492149 1108052321 /nfs/dbraw/zinc/05/23/21/1108052321.db2.gz NUOSXQHIUUYETF-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001318492612 1108053582 /nfs/dbraw/zinc/05/35/82/1108053582.db2.gz RQQSMQZYESDWGU-MJGOQNOKSA-N 0 3 312.457 3.455 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001323811752 1108091799 /nfs/dbraw/zinc/09/17/99/1108091799.db2.gz GJVKPOLUTAMIBW-LJQANCHMSA-N 0 3 302.462 3.071 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCC(=O)C(C)(C)C ZINC001263616323 1108111586 /nfs/dbraw/zinc/11/15/86/1108111586.db2.gz SZUXTWHPCBSYLS-SNVBAGLBSA-N 0 3 309.797 3.035 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CCCO1)c1nc2c(cccc2Cl)[nH]1 ZINC001263620457 1108117165 /nfs/dbraw/zinc/11/71/65/1108117165.db2.gz VCQNSLSMHLTIKL-WDEREUQCSA-N 0 3 317.776 3.352 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001318678945 1108151130 /nfs/dbraw/zinc/15/11/30/1108151130.db2.gz ZYJIBZBGNDSBNH-DDPFVEHASA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccncc2Cl)C[C@@H]1C ZINC001324045968 1108157753 /nfs/dbraw/zinc/15/77/53/1108157753.db2.gz AROMDAAFJOTTKU-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001263807119 1108211933 /nfs/dbraw/zinc/21/19/33/1108211933.db2.gz HHFFWIBYOIQFNO-VSZNYVQBSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001263821668 1108233090 /nfs/dbraw/zinc/23/30/90/1108233090.db2.gz XAGNYZUPDIWGOX-YOEHRIQHSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001263820765 1108233126 /nfs/dbraw/zinc/23/31/26/1108233126.db2.gz GPMGFOHDJMYDPV-QAPCUYQASA-N 0 3 318.436 3.428 20 30 DGEDHN O=C(CC1CCCC1)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001263825069 1108237909 /nfs/dbraw/zinc/23/79/09/1108237909.db2.gz SMFUSGLVDSAPHZ-BGYRXZFFSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001324335111 1108254295 /nfs/dbraw/zinc/25/42/95/1108254295.db2.gz PLCOQGRLSYTBQJ-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001324364417 1108267012 /nfs/dbraw/zinc/26/70/12/1108267012.db2.gz GYNCYNWNYDDICB-PXNSSMCTSA-N 0 3 324.468 3.077 20 30 DGEDHN C#CCN(C(=O)CCCC=C)C1CCN(CC=C(C)C)CC1 ZINC001324419557 1108280791 /nfs/dbraw/zinc/28/07/91/1108280791.db2.gz BGLIMUKPVSNGSY-UHFFFAOYSA-N 0 3 302.462 3.235 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001263885688 1108283754 /nfs/dbraw/zinc/28/37/54/1108283754.db2.gz HZHOOZUALGVFQO-SCTDSRPQSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(C[C@H](F)CC)CC2 ZINC001263935291 1108302394 /nfs/dbraw/zinc/30/23/94/1108302394.db2.gz YZOCCUNCLDPXGZ-JKSUJKDBSA-N 0 3 310.457 3.404 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1 ZINC001263946526 1108307303 /nfs/dbraw/zinc/30/73/03/1108307303.db2.gz UKHVWRWKDSPJSV-XJKSGUPXSA-N 0 3 321.852 3.055 20 30 DGEDHN C/C=C(\C)C(=O)N1CC[C@@H](C)C[C@H]1CNCC#Cc1ccccc1 ZINC001263983907 1108324573 /nfs/dbraw/zinc/32/45/73/1108324573.db2.gz FUAZRQNFHKLPRG-VHONMOOESA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)CC(C)C)C2 ZINC001324557107 1108341178 /nfs/dbraw/zinc/34/11/78/1108341178.db2.gz OFYLEVJTSRDBEV-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001324608509 1108375933 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DGEDHN C=C(C)C[N@@H+](CC)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001281824498 1109409080 /nfs/dbraw/zinc/40/90/80/1109409080.db2.gz FDOKHPUGPDXHBP-UHFFFAOYSA-N 0 3 316.445 3.142 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@](C)(F)CCCC)C1 ZINC001282016483 1109430759 /nfs/dbraw/zinc/43/07/59/1109430759.db2.gz ZUYMOIHYGWSMHH-SSDMNJCBSA-N 0 3 304.837 3.142 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1CCCCC1 ZINC001282086584 1109446007 /nfs/dbraw/zinc/44/60/07/1109446007.db2.gz OHWKCJXVJFZHBO-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2cnc(C)s2)CCC1 ZINC001282182568 1109463967 /nfs/dbraw/zinc/46/39/67/1109463967.db2.gz DMLJNAVZYOSKEH-QWHCGFSZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001282295347 1109480821 /nfs/dbraw/zinc/48/08/21/1109480821.db2.gz VPSASXGFUMPXCJ-KGLIPLIRSA-N 0 3 318.864 3.341 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2ccc(F)cc2s1 ZINC001282426655 1109506794 /nfs/dbraw/zinc/50/67/94/1109506794.db2.gz TYXZRHWVTPUPAJ-LLVKDONJSA-N 0 3 306.406 3.277 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cccn2CC)CCCCC1 ZINC001282626939 1109539016 /nfs/dbraw/zinc/53/90/16/1109539016.db2.gz BAASFYUNJCQAJP-UHFFFAOYSA-N 0 3 323.868 3.283 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC001282677778 1109550537 /nfs/dbraw/zinc/55/05/37/1109550537.db2.gz HJFTVHMDAZGKKB-IEBWSBKVSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001282744057 1109561410 /nfs/dbraw/zinc/56/14/10/1109561410.db2.gz LOBKCYUVMKZCBN-HZPDHXFCSA-N 0 3 322.493 3.127 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](C=C)c2ccccc2)C(C)(C)C1 ZINC001282832361 1109572776 /nfs/dbraw/zinc/57/27/76/1109572776.db2.gz FNOBTMVDPXBBHL-PKOBYXMFSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C(C)(C)C1 ZINC001282833580 1109572868 /nfs/dbraw/zinc/57/28/68/1109572868.db2.gz ORALPYQUDFRORE-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](C)C(CC)CC)C[C@]2(C)C1 ZINC001282985715 1109586727 /nfs/dbraw/zinc/58/67/27/1109586727.db2.gz QPCLXSFJLKUJAA-AHRSYUTCSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001283066916 1109590499 /nfs/dbraw/zinc/59/04/99/1109590499.db2.gz JDYXAHJPVHEOBQ-UMSPYCQHSA-N 0 3 323.849 3.080 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001283069035 1109591299 /nfs/dbraw/zinc/59/12/99/1109591299.db2.gz LJDOITCDMFZZGM-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001283247895 1109606096 /nfs/dbraw/zinc/60/60/96/1109606096.db2.gz FSYYSBQFZOXTOI-CQSZACIVSA-N 0 3 320.864 3.028 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)C=C2CCC2)CC1 ZINC001283301642 1109610495 /nfs/dbraw/zinc/61/04/95/1109610495.db2.gz KMLNXRGJESSCNL-UHFFFAOYSA-N 0 3 322.452 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2scnc2C)C[C@@H]1C ZINC001283987226 1109711137 /nfs/dbraw/zinc/71/11/37/1109711137.db2.gz XFWZGOMPCXRDRC-JSGCOSHPSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCC2CCCCC2)C1 ZINC001284027989 1109719013 /nfs/dbraw/zinc/71/90/13/1109719013.db2.gz YMPDEJMRROGGRX-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cncs1)C(C)(C)C ZINC001284591943 1109820650 /nfs/dbraw/zinc/82/06/50/1109820650.db2.gz WREYNBNNWDVLCN-CQSZACIVSA-N 0 3 309.479 3.120 20 30 DGEDHN C=C(Br)CNC[C@H](NC(=O)C(C)(C)C)C(C)(C)C ZINC001284644061 1109832553 /nfs/dbraw/zinc/83/25/53/1109832553.db2.gz SKFVTVDZEBXTMZ-NSHDSACASA-N 0 3 319.287 3.062 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001284701542 1109844736 /nfs/dbraw/zinc/84/47/36/1109844736.db2.gz ACMFLKKYKSDVLA-XLIONFOSSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC001284939308 1109883228 /nfs/dbraw/zinc/88/32/28/1109883228.db2.gz WEWOXPAGZZJOIP-UHFFFAOYSA-N 0 3 310.441 3.041 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001316856253 1111238453 /nfs/dbraw/zinc/23/84/53/1111238453.db2.gz DTNNSGVXSQUMGP-SJORKVTESA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN(C[C@H]1CN(C2CCCCC2)C(=O)O1)C1CCCCC1 ZINC001307445282 1111300602 /nfs/dbraw/zinc/30/06/02/1111300602.db2.gz YAQJQXDKOHROCJ-SFHVURJKSA-N 0 3 318.461 3.408 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)c(F)c1 ZINC001307639902 1111322919 /nfs/dbraw/zinc/32/29/19/1111322919.db2.gz UHFXQZNIEMVTNH-GUYCJALGSA-N 0 3 319.424 3.183 20 30 DGEDHN CC(C)C[C@@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001307673985 1111325952 /nfs/dbraw/zinc/32/59/52/1111325952.db2.gz CAIJMOIOIWTPMQ-CRAIPNDOSA-N 0 3 303.425 3.443 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001307872022 1111349006 /nfs/dbraw/zinc/34/90/06/1111349006.db2.gz JSSNLSKGOXHMBX-PBHICJAKSA-N 0 3 316.832 3.181 20 30 DGEDHN C#Cc1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC001308436503 1111428729 /nfs/dbraw/zinc/42/87/29/1111428729.db2.gz UQTPCPKZOCGPCD-UHFFFAOYSA-N 0 3 322.799 3.192 20 30 DGEDHN CC1(CN2CCN(c3ccc(C#N)cc3F)CC2)CCCC1 ZINC001308615442 1111451352 /nfs/dbraw/zinc/45/13/52/1111451352.db2.gz JJMFABSOQREGRX-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)sc1C ZINC001328361681 1111720119 /nfs/dbraw/zinc/72/01/19/1111720119.db2.gz RFHWBMSIGGQPAA-JTQLQIEISA-N 0 3 300.855 3.215 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1ncccc1C ZINC001316895758 1111725543 /nfs/dbraw/zinc/72/55/43/1111725543.db2.gz CQXLBHVLOSLTNC-UHFFFAOYSA-N 0 3 317.477 3.321 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)CCCCC)C[C@@H]2C1 ZINC001316759435 1111759734 /nfs/dbraw/zinc/75/97/34/1111759734.db2.gz HIGKOLHHYJPXDT-KURKYZTESA-N 0 3 304.478 3.006 20 30 DGEDHN CC[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000278339090 214100813 /nfs/dbraw/zinc/10/08/13/214100813.db2.gz XFRWKATUTDLLIF-IBGZPJMESA-N 0 3 321.424 3.258 20 30 DGEDHN CN(C)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC000278465273 214170377 /nfs/dbraw/zinc/17/03/77/214170377.db2.gz BQCAGEQFXVGBME-LLVKDONJSA-N 0 3 306.822 3.383 20 30 DGEDHN CC[C@H](CO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000294679779 529383040 /nfs/dbraw/zinc/38/30/40/529383040.db2.gz BEEYFCJTQBWNNE-LJQANCHMSA-N 0 3 324.424 3.340 20 30 DGEDHN Cc1ccc(C#N)c(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC000309857161 231108488 /nfs/dbraw/zinc/10/84/88/231108488.db2.gz CGEXESWMYFCEQJ-MAUKXSAKSA-N 0 3 306.413 3.337 20 30 DGEDHN CC[C@@H](CO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000294679776 529504952 /nfs/dbraw/zinc/50/49/52/529504952.db2.gz BEEYFCJTQBWNNE-IBGZPJMESA-N 0 3 324.424 3.340 20 30 DGEDHN CC[C@H](NCCC(=O)NC1CCCCC1)c1ccc(C#N)cc1 ZINC000278218363 214030121 /nfs/dbraw/zinc/03/01/21/214030121.db2.gz IOFIOLMUATVMPR-SFHVURJKSA-N 0 3 313.445 3.438 20 30 DGEDHN Cc1nccn1-c1ccc(CNCc2ccc(C#N)cc2)cc1F ZINC000063548946 432005889 /nfs/dbraw/zinc/00/58/89/432005889.db2.gz SQKIIIQNYGABSR-UHFFFAOYSA-N 0 3 320.371 3.481 20 30 DGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C[C@H]1CC=CCC1 ZINC000344029743 529826091 /nfs/dbraw/zinc/82/60/91/529826091.db2.gz AOEOIKJVCGCFHO-KRWDZBQOSA-N 0 3 311.429 3.221 20 30 DGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000181535777 529867045 /nfs/dbraw/zinc/86/70/45/529867045.db2.gz ARPMXRZVSBJNOH-MRXNPFEDSA-N 0 3 319.836 3.239 20 30 DGEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCC(C)(C)C1 ZINC000361472218 282338973 /nfs/dbraw/zinc/33/89/73/282338973.db2.gz WCPOBEDBOIQUHW-HNNXBMFYSA-N 0 3 305.466 3.182 20 30 DGEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CCCCO1 ZINC000092427830 529995434 /nfs/dbraw/zinc/99/54/34/529995434.db2.gz WHDNSARFPPCGFW-SFHVURJKSA-N 0 3 302.418 3.370 20 30 DGEDHN CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424088044 530000722 /nfs/dbraw/zinc/00/07/22/530000722.db2.gz GFNKJVQSPIPYFR-IBGZPJMESA-N 0 3 321.424 3.333 20 30 DGEDHN CN(CC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1)C(=O)OC(C)(C)C ZINC000496684637 282393431 /nfs/dbraw/zinc/39/34/31/282393431.db2.gz LBZCWYTWLWTFAL-HZPDHXFCSA-N 0 3 321.465 3.258 20 30 DGEDHN COc1ccccc1[C@@H](CNc1cc(C#N)ccn1)N1CCCC1 ZINC000286839685 219190932 /nfs/dbraw/zinc/19/09/32/219190932.db2.gz FTQGZFRDWVVJLR-QGZVFWFLSA-N 0 3 322.412 3.211 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2cc(F)ccc2F)CC1 ZINC000106034822 432019563 /nfs/dbraw/zinc/01/95/63/432019563.db2.gz FHHYLGKRUIZZQV-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CCC)cc2)CC1 ZINC000106034135 432019702 /nfs/dbraw/zinc/01/97/02/432019702.db2.gz DPRSJTHFXCXZFV-UHFFFAOYSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OCCC)c2)CC1 ZINC000106036105 432019766 /nfs/dbraw/zinc/01/97/66/432019766.db2.gz MPNAYJGUUVAUMI-UHFFFAOYSA-N 0 3 316.445 3.246 20 30 DGEDHN CC(C)n1nccc1CNCCSCc1ccccc1C#N ZINC000279804582 215160669 /nfs/dbraw/zinc/16/06/69/215160669.db2.gz FDBZKRBEEKRUFO-UHFFFAOYSA-N 0 3 314.458 3.359 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000106275192 432020702 /nfs/dbraw/zinc/02/07/02/432020702.db2.gz YHXDEWZBFPXNGH-SFHVURJKSA-N 0 3 319.493 3.391 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CNC[C@@H]2CCCO2)c1 ZINC000066905106 432023889 /nfs/dbraw/zinc/02/38/89/432023889.db2.gz QCFBNMPXXSHLPK-FQEVSTJZSA-N 0 3 322.408 3.406 20 30 DGEDHN C=CCOc1ccc(CNCc2cccc(C#N)c2)cc1OC ZINC000066972033 432024452 /nfs/dbraw/zinc/02/44/52/432024452.db2.gz ZFRMEHOETMTJCM-UHFFFAOYSA-N 0 3 308.381 3.421 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159590974 186129535 /nfs/dbraw/zinc/12/95/35/186129535.db2.gz JRGVLXNSDKQNKG-ZBFHGGJFSA-N 0 3 311.347 3.150 20 30 DGEDHN C=CCN1CCC(N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000177905384 186202032 /nfs/dbraw/zinc/20/20/32/186202032.db2.gz OALHXCJNOXPVTA-AWEZNQCLSA-N 0 3 304.434 3.005 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179702234 186207460 /nfs/dbraw/zinc/20/74/60/186207460.db2.gz SOHFIJWMJLDBDB-HNNXBMFYSA-N 0 3 310.397 3.343 20 30 DGEDHN C=CCC(F)(F)C(=O)NC[C@H]1CCN1C1CCCCCC1 ZINC001624511043 1194000213 /nfs/dbraw/zinc/00/02/13/1194000213.db2.gz QONBSMOOHWZQFZ-CQSZACIVSA-N 0 3 300.393 3.111 20 30 DGEDHN Cc1cn2c(n1)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708091 234024943 /nfs/dbraw/zinc/02/49/43/234024943.db2.gz AYRCYOPXOPZEKU-ZFWWWQNUSA-N 0 3 312.392 3.431 20 30 DGEDHN CC(C)[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N1CCCCC1 ZINC000067291168 432028949 /nfs/dbraw/zinc/02/89/49/432028949.db2.gz RBAULMJLECCAMH-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000173196682 198194252 /nfs/dbraw/zinc/19/42/52/198194252.db2.gz IJPOORHEGUFRGK-CRAIPNDOSA-N 0 3 313.445 3.039 20 30 DGEDHN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000130978868 432031327 /nfs/dbraw/zinc/03/13/27/432031327.db2.gz USGKHRWPOIGGOR-KRWDZBQOSA-N 0 3 313.445 3.281 20 30 DGEDHN CCOc1ccc(CCNCc2ccc(C#N)o2)cc1OCC ZINC000174242213 198309883 /nfs/dbraw/zinc/30/98/83/198309883.db2.gz WJKYNHJSVVWYGL-UHFFFAOYSA-N 0 3 314.385 3.281 20 30 DGEDHN COCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174429937 198333778 /nfs/dbraw/zinc/33/37/78/198333778.db2.gz BCEXMQPZABLRTQ-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000277090492 213287044 /nfs/dbraw/zinc/28/70/44/213287044.db2.gz YXGBCCDGADEWFK-HUUCEWRRSA-N 0 3 323.234 3.368 20 30 DGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000428954588 283075315 /nfs/dbraw/zinc/07/53/15/283075315.db2.gz MKQGNRILCNMMTK-OLMNPRSZSA-N 0 3 302.393 3.213 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1F ZINC000248911097 283142424 /nfs/dbraw/zinc/14/24/24/283142424.db2.gz YCMLQHGKHAXYCD-LPHOPBHVSA-N 0 3 313.420 3.146 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H]2CCCCO2)ccc1OC ZINC000237201745 202185928 /nfs/dbraw/zinc/18/59/28/202185928.db2.gz JEOOIMRJCBKLSF-MRXNPFEDSA-N 0 3 305.418 3.309 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000133990465 432071888 /nfs/dbraw/zinc/07/18/88/432071888.db2.gz GLDCRVOIOLRLSQ-RTBURBONSA-N 0 3 319.408 3.423 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000179895349 432073960 /nfs/dbraw/zinc/07/39/60/432073960.db2.gz SATUNCFQVSLBTI-IBGZPJMESA-N 0 3 312.457 3.442 20 30 DGEDHN CCCCNC(=O)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666519 200141675 /nfs/dbraw/zinc/14/16/75/200141675.db2.gz XBVOGBDFOPQPNJ-YJBOKZPZSA-N 0 3 313.445 3.248 20 30 DGEDHN CN(CCOCC(F)(F)C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000188619306 200276414 /nfs/dbraw/zinc/27/64/14/200276414.db2.gz WGVZTWUYDDSCKR-UHFFFAOYSA-N 0 3 322.277 3.204 20 30 DGEDHN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](N)CCCC#N ZINC000424122489 237881343 /nfs/dbraw/zinc/88/13/43/237881343.db2.gz JMTWGZHVDBLUTO-CRAIPNDOSA-N 0 3 313.445 3.397 20 30 DGEDHN N#Cc1cc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1F ZINC000134927904 432090563 /nfs/dbraw/zinc/09/05/63/432090563.db2.gz UDYLFWKVAUCAEY-DNVCBOLYSA-N 0 3 313.420 3.146 20 30 DGEDHN N#CCC1(CNCc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000430020200 238064529 /nfs/dbraw/zinc/06/45/29/238064529.db2.gz JEVHSZNTYYCSRE-QGZVFWFLSA-N 0 3 300.402 3.028 20 30 DGEDHN C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)c(F)c1 ZINC000271985112 209361302 /nfs/dbraw/zinc/36/13/02/209361302.db2.gz XYKWCGKUUMXXRM-BBRMVZONSA-N 0 3 310.376 3.022 20 30 DGEDHN C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271920718 209325095 /nfs/dbraw/zinc/32/50/95/209325095.db2.gz DTDCBISOGPBUPC-BDJLRTHQSA-N 0 3 304.390 3.317 20 30 DGEDHN CCn1nccc1C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000434791026 238247684 /nfs/dbraw/zinc/24/76/84/238247684.db2.gz AQAFBOVKBIMWNR-UHFFFAOYSA-N 0 3 308.429 3.463 20 30 DGEDHN N#Cc1cccc(CNCCSCc2ccccc2C#N)c1 ZINC000053099105 283602159 /nfs/dbraw/zinc/60/21/59/283602159.db2.gz ZCIZESJOZCCHKT-UHFFFAOYSA-N 0 3 307.422 3.453 20 30 DGEDHN COc1cc(CNCC2([C@H](O)c3ccccc3)CC2)ccc1C#N ZINC000281460583 216315123 /nfs/dbraw/zinc/31/51/23/216315123.db2.gz AWQRXOLAYFBWNT-LJQANCHMSA-N 0 3 322.408 3.170 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(OCc3ccccc3)c2)C1 ZINC000442714196 239116129 /nfs/dbraw/zinc/11/61/29/239116129.db2.gz XVSJMFZJBCXRJY-SJLPKXTDSA-N 0 3 307.397 3.442 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCCOc2cccc(Br)c2)C1 ZINC000442780232 239122559 /nfs/dbraw/zinc/12/25/59/239122559.db2.gz MNZJCKFEUYPOIE-DGCLKSJQSA-N 0 3 309.207 3.110 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000442778725 239122748 /nfs/dbraw/zinc/12/27/48/239122748.db2.gz HTDIYIJLPJDCHM-CRAIPNDOSA-N 0 3 320.396 3.116 20 30 DGEDHN COc1cc(CN2CCN(C3CCCCC3)CC2)ccc1C#N ZINC000442794518 239124457 /nfs/dbraw/zinc/12/44/57/239124457.db2.gz AKROHESELLLLGG-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000442791907 239125182 /nfs/dbraw/zinc/12/51/82/239125182.db2.gz ORGRJVKTIUVFIC-AEFFLSMTSA-N 0 3 311.429 3.095 20 30 DGEDHN N#Cc1ccc(CN(C[C@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000194960761 201316837 /nfs/dbraw/zinc/31/68/37/201316837.db2.gz ZVBZAIAZCVHZIX-HXUWFJFHSA-N 0 3 306.409 3.126 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)C1 ZINC000442850441 239137347 /nfs/dbraw/zinc/13/73/47/239137347.db2.gz PLHHLWMENFKOIL-KOLCDFICSA-N 0 3 300.189 3.049 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@H]2CCC[C@@H](C)C2)c(C#N)c1C ZINC000246186071 432103637 /nfs/dbraw/zinc/10/36/37/432103637.db2.gz HSSZYLMSRIXHAC-RISCZKNCSA-N 0 3 303.406 3.217 20 30 DGEDHN CC1(C#N)CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000449286148 240109908 /nfs/dbraw/zinc/10/99/08/240109908.db2.gz ULLVBYXCFCLWLC-UHFFFAOYSA-N 0 3 313.361 3.033 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000449435972 240204065 /nfs/dbraw/zinc/20/40/65/240204065.db2.gz GKVKNXWPGGCKOX-UGFHNGPFSA-N 0 3 312.335 3.411 20 30 DGEDHN C=CC(C)(C)CNCc1cn2ccc(Br)cc2n1 ZINC000449484417 240235101 /nfs/dbraw/zinc/23/51/01/240235101.db2.gz HBFFCVSLGRMAHO-UHFFFAOYSA-N 0 3 308.223 3.399 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000449516775 240260802 /nfs/dbraw/zinc/26/08/02/240260802.db2.gz CCTRBHTWVSCVHU-MOPGFXCFSA-N 0 3 310.397 3.094 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCC)c(OCC)c1 ZINC000449520141 240263508 /nfs/dbraw/zinc/26/35/08/240263508.db2.gz OIRXENXNRABOCM-CVEARBPZSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCOc1ccccc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449555461 240284395 /nfs/dbraw/zinc/28/43/95/240284395.db2.gz QHWFHOUWCKOQNF-NUJGCVRESA-N 0 3 301.430 3.234 20 30 DGEDHN CC[C@H]1CN(CC)CCN1Cc1cccc(OCCCC#N)c1 ZINC000449566020 240294253 /nfs/dbraw/zinc/29/42/53/240294253.db2.gz MOWNYVVTSIMRIY-SFHVURJKSA-N 0 3 315.461 3.285 20 30 DGEDHN COc1ccccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000091792530 193109555 /nfs/dbraw/zinc/10/95/55/193109555.db2.gz INPFCPRAQCONED-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN CCN(CCC#N)C(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451193043 241040168 /nfs/dbraw/zinc/04/01/68/241040168.db2.gz XBGHVNBSPRNVDC-JFIYKMOQSA-N 0 3 313.445 3.015 20 30 DGEDHN C=CCC1(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CCCC1 ZINC000452319332 241383862 /nfs/dbraw/zinc/38/38/62/241383862.db2.gz BTTZNLKJOBCZKP-MRXNPFEDSA-N 0 3 304.478 3.456 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000189993759 432110485 /nfs/dbraw/zinc/11/04/85/432110485.db2.gz RTANOTNOPNPNQS-STQMWFEESA-N 0 3 303.406 3.122 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000454536033 241973296 /nfs/dbraw/zinc/97/32/96/241973296.db2.gz GEKRXCBRZBWEEB-HOTGVXAUSA-N 0 3 307.482 3.152 20 30 DGEDHN CN(CCC#N)C(=O)CCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181072125 432112223 /nfs/dbraw/zinc/11/22/23/432112223.db2.gz RJLOMDVUNWNRIE-QGZVFWFLSA-N 0 3 319.424 3.265 20 30 DGEDHN C=C(C)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000455317281 242166769 /nfs/dbraw/zinc/16/67/69/242166769.db2.gz WVUNHZQZXJJMJG-KRWDZBQOSA-N 0 3 315.461 3.259 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCC1(F)F ZINC000456136358 242358738 /nfs/dbraw/zinc/35/87/38/242358738.db2.gz IHQDVOPXDHSNTN-CABCVRRESA-N 0 3 306.356 3.311 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1cccc(CC#N)c1 ZINC000455926395 242313396 /nfs/dbraw/zinc/31/33/96/242313396.db2.gz YLCJKYKPMOMZKM-KRWDZBQOSA-N 0 3 314.433 3.139 20 30 DGEDHN COc1ccccc1CN(C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268648726 432115309 /nfs/dbraw/zinc/11/53/09/432115309.db2.gz VHRCUUVTYBQKCJ-IBGZPJMESA-N 0 3 322.408 3.265 20 30 DGEDHN C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1sccc1C#N ZINC000091704005 284003494 /nfs/dbraw/zinc/00/34/94/284003494.db2.gz FSHZKAJKBVGAJG-LBPRGKRZSA-N 0 3 314.414 3.036 20 30 DGEDHN Cc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1CN(C)C ZINC000458293151 243022077 /nfs/dbraw/zinc/02/20/77/243022077.db2.gz UKWSLEFYQFJGGP-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000458782683 243156921 /nfs/dbraw/zinc/15/69/21/243156921.db2.gz UZLYMXPBIIMUHW-WBVHZDCISA-N 0 3 303.450 3.252 20 30 DGEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000458999765 243224168 /nfs/dbraw/zinc/22/41/68/243224168.db2.gz LTIUIDDUSYBGOB-UHFFFAOYSA-N 0 3 303.450 3.034 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)N(C)C ZINC000459049518 243236093 /nfs/dbraw/zinc/23/60/93/243236093.db2.gz ZFHUXIBINDTGNO-NSHDSACASA-N 0 3 315.870 3.049 20 30 DGEDHN C=CCC[C@H](CCC)NCc1ccc(S(C)(=O)=O)s1 ZINC000469269887 244093410 /nfs/dbraw/zinc/09/34/10/244093410.db2.gz VAIJPXZPJZEMGD-LBPRGKRZSA-N 0 3 301.477 3.376 20 30 DGEDHN CCC1(CC)CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000469736367 244120238 /nfs/dbraw/zinc/12/02/38/244120238.db2.gz JAQHCNMQFIYJJP-KRWDZBQOSA-N 0 3 307.482 3.333 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000470968983 244198979 /nfs/dbraw/zinc/19/89/79/244198979.db2.gz SZBSWCGWAGNMBK-RDTXWAMCSA-N 0 3 309.413 3.326 20 30 DGEDHN C=CCc1cc(CNCCC(O)(CC)CC)cc(OC)c1O ZINC000471828154 244255625 /nfs/dbraw/zinc/25/56/25/244255625.db2.gz UHPJDXUIEBYMEB-UHFFFAOYSA-N 0 3 307.434 3.160 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000472745596 244312594 /nfs/dbraw/zinc/31/25/94/244312594.db2.gz FEVJHUYJOGFZNN-MRXNPFEDSA-N 0 3 308.853 3.098 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000474087826 244367830 /nfs/dbraw/zinc/36/78/30/244367830.db2.gz FYYRCAPINNKXIK-UHFFFAOYSA-N 0 3 317.477 3.425 20 30 DGEDHN C[C@H](CCO)N(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000093304032 193227487 /nfs/dbraw/zinc/22/74/87/193227487.db2.gz OINRBLQULWSETL-QGZVFWFLSA-N 0 3 324.424 3.210 20 30 DGEDHN C[C@@H](CCO)N(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000093304031 193226345 /nfs/dbraw/zinc/22/63/45/193226345.db2.gz OINRBLQULWSETL-KRWDZBQOSA-N 0 3 324.424 3.210 20 30 DGEDHN C[C@@H](CCO)N(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000093303317 193226583 /nfs/dbraw/zinc/22/65/83/193226583.db2.gz ZPIJOGADHDNPRT-KRWDZBQOSA-N 0 3 324.424 3.210 20 30 DGEDHN C[C@H](CCO)N(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000093303318 193226623 /nfs/dbraw/zinc/22/66/23/193226623.db2.gz ZPIJOGADHDNPRT-QGZVFWFLSA-N 0 3 324.424 3.210 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CCCCC)CC1 ZINC000487674051 245091383 /nfs/dbraw/zinc/09/13/83/245091383.db2.gz JUASUYRHEXVCKJ-KRWDZBQOSA-N 0 3 307.482 3.391 20 30 DGEDHN COc1ccc([C@H](CO)N(C)Cc2ccc(C#N)c(C)c2)cc1 ZINC000487917607 245121203 /nfs/dbraw/zinc/12/12/03/245121203.db2.gz XWMIMUZOOBZTLX-IBGZPJMESA-N 0 3 310.397 3.041 20 30 DGEDHN Cc1cc(CN2CCC[C@H](c3nncn3C(C)C)C2)ccc1C#N ZINC000488123872 245151173 /nfs/dbraw/zinc/15/11/73/245151173.db2.gz BQWPDBUXEGZVEQ-SFHVURJKSA-N 0 3 323.444 3.419 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N[C@@H](C)CN3CCCCC3)c2c1 ZINC000487928543 245123957 /nfs/dbraw/zinc/12/39/57/245123957.db2.gz WDMWISSBGQJEHU-HNNXBMFYSA-N 0 3 308.429 3.123 20 30 DGEDHN Cc1oc(NC(=O)CN(CC(C)C)CC(C)C)c(C#N)c1C ZINC000122984351 284230238 /nfs/dbraw/zinc/23/02/38/284230238.db2.gz FAPOKGHEFUPGKV-UHFFFAOYSA-N 0 3 305.422 3.321 20 30 DGEDHN Cc1nc(N(C)CC2CCN(c3ccncc3)CC2)ccc1C#N ZINC000488095142 245145829 /nfs/dbraw/zinc/14/58/29/245145829.db2.gz AUGBNVHHVLIVJL-UHFFFAOYSA-N 0 3 321.428 3.010 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CCc1cccs1 ZINC000488357952 245179484 /nfs/dbraw/zinc/17/94/84/245179484.db2.gz GZHSSSAQRRRRPS-OAHLLOKOSA-N 0 3 308.491 3.426 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000268704579 432123924 /nfs/dbraw/zinc/12/39/24/432123924.db2.gz RYHCGYVNYVGSKL-PKOBYXMFSA-N 0 3 310.372 3.220 20 30 DGEDHN C#CCCOc1ccc(CNC[C@H](O)c2ccccc2F)cc1 ZINC000265001147 204335184 /nfs/dbraw/zinc/33/51/84/204335184.db2.gz ZRHIVWXJLJXTOD-IBGZPJMESA-N 0 3 313.372 3.051 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2ccc(Cl)s2)CC1 ZINC000265029168 204352606 /nfs/dbraw/zinc/35/26/06/204352606.db2.gz CWONLJLUQMBJQD-CYBMUJFWSA-N 0 3 324.877 3.314 20 30 DGEDHN CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271681022 209121369 /nfs/dbraw/zinc/12/13/69/209121369.db2.gz PNZQYZPKWYKQFC-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN C=CCOCCCC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000266274922 205232806 /nfs/dbraw/zinc/23/28/06/205232806.db2.gz RJWRXHDWKBLJMY-MRXNPFEDSA-N 0 3 324.490 3.230 20 30 DGEDHN C[C@@H]1CCN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000288380097 220119131 /nfs/dbraw/zinc/11/91/31/220119131.db2.gz LRRSKNYYWFHPEW-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)ccn1 ZINC000288475243 220165905 /nfs/dbraw/zinc/16/59/05/220165905.db2.gz QQIUDKGPBZXORR-YJBOKZPZSA-N 0 3 306.413 3.276 20 30 DGEDHN Cc1ccc(C#N)c(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000160228316 197394130 /nfs/dbraw/zinc/39/41/30/197394130.db2.gz FROXNZGKKOIHTG-KSSFIOAISA-N 0 3 306.413 3.194 20 30 DGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC1CCC1 ZINC000267209084 205895357 /nfs/dbraw/zinc/89/53/57/205895357.db2.gz RAPRWHHWWZJSOZ-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN C=CCN1CC[C@@H](NCC(C)(C)c2c(F)cccc2Cl)C1=O ZINC000493616354 246024069 /nfs/dbraw/zinc/02/40/69/246024069.db2.gz CAWOKJJPZGDAIH-CQSZACIVSA-N 0 3 324.827 3.133 20 30 DGEDHN C=CCN1CC[C@@H](NCC2(c3cccc(C)c3)CCCC2)C1=O ZINC000493705465 246045255 /nfs/dbraw/zinc/04/52/55/246045255.db2.gz HYJPBAIGPYAPDY-GOSISDBHSA-N 0 3 312.457 3.183 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)NCCCN(C)Cc1ccccc1 ZINC000494233293 246123413 /nfs/dbraw/zinc/12/34/13/246123413.db2.gz HNFCIBPVLLRUNO-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000181540762 432134349 /nfs/dbraw/zinc/13/43/49/432134349.db2.gz DDRNTRCCJCINMP-AWEZNQCLSA-N 0 3 317.396 3.298 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000022807840 182336234 /nfs/dbraw/zinc/33/62/34/182336234.db2.gz UMSKTEPALPSBAU-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495313233 246255775 /nfs/dbraw/zinc/25/57/75/246255775.db2.gz UQMDFPMLAKJCHA-UHFFFAOYSA-N 0 3 317.433 3.293 20 30 DGEDHN CCNC(=O)OC[C@@H]1CCCCN1CCCCC(C)(C)C#N ZINC000495615832 246287380 /nfs/dbraw/zinc/28/73/80/246287380.db2.gz JDDUYVZBOOZIMO-HNNXBMFYSA-N 0 3 309.454 3.307 20 30 DGEDHN CC(C)(C)OC(=O)N(CCNCC1(CC#N)CC1)C(C)(C)C ZINC000496042193 246344945 /nfs/dbraw/zinc/34/49/45/246344945.db2.gz LPFVXBBRJBWZFF-UHFFFAOYSA-N 0 3 309.454 3.305 20 30 DGEDHN CN(C)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000181592884 432137049 /nfs/dbraw/zinc/13/70/49/432137049.db2.gz BLCGTSYKZDJTBR-UHFFFAOYSA-N 0 3 324.384 3.034 20 30 DGEDHN COc1cccc2c1OC[C@@H](N[C@H](C)c1cccc(C#N)c1)C2 ZINC000181679997 432141858 /nfs/dbraw/zinc/14/18/58/432141858.db2.gz NCNHSSTXJMKBAD-DYVFJYSZSA-N 0 3 308.381 3.221 20 30 DGEDHN COc1cccc2c1OC[C@H](N[C@H](C)c1cccc(C#N)c1)C2 ZINC000181679962 432142093 /nfs/dbraw/zinc/14/20/93/432142093.db2.gz NCNHSSTXJMKBAD-CXAGYDPISA-N 0 3 308.381 3.221 20 30 DGEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000288584122 220260119 /nfs/dbraw/zinc/26/01/19/220260119.db2.gz CPDWNVUWKYADSC-GOSISDBHSA-N 0 3 322.408 3.265 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000268611674 206834475 /nfs/dbraw/zinc/83/44/75/206834475.db2.gz KWIXAMGDWULPDC-IBGZPJMESA-N 0 3 310.372 3.395 20 30 DGEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268923502 207088711 /nfs/dbraw/zinc/08/87/11/207088711.db2.gz KPUHBDHKBQZZNX-ZIAGYGMSSA-N 0 3 319.408 3.489 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1cccc(C#N)n1 ZINC000270013229 208066786 /nfs/dbraw/zinc/06/67/86/208066786.db2.gz BIQWISOGAKSLBQ-INIZCTEOSA-N 0 3 306.413 3.054 20 30 DGEDHN CN(c1cccc(C#N)n1)C1CCN(Cc2ccccc2)CC1 ZINC000270017960 208070721 /nfs/dbraw/zinc/07/07/21/208070721.db2.gz CTYWCTNYPIUWJH-UHFFFAOYSA-N 0 3 306.413 3.054 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(C)cc1CN(C)C)OCC ZINC000270062819 208120390 /nfs/dbraw/zinc/12/03/90/208120390.db2.gz PJGRYBDXOFIXIQ-KRWDZBQOSA-N 0 3 304.434 3.366 20 30 DGEDHN Cc1cccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000336865104 253013723 /nfs/dbraw/zinc/01/37/23/253013723.db2.gz SUOHRXBJQJAVJE-UHFFFAOYSA-N 0 3 307.397 3.327 20 30 DGEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000337796890 253175530 /nfs/dbraw/zinc/17/55/30/253175530.db2.gz GMFAALXFUAFJCE-OAHLLOKOSA-N 0 3 321.424 3.117 20 30 DGEDHN CCOC(=O)C1CCC(N(CC)Cc2ccc(C#N)o2)CC1 ZINC000338964572 253380003 /nfs/dbraw/zinc/38/00/03/253380003.db2.gz UGACFALQASKWTH-UHFFFAOYSA-N 0 3 304.390 3.095 20 30 DGEDHN CC(C)Oc1ccc([C@@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000288661440 220329558 /nfs/dbraw/zinc/32/95/58/220329558.db2.gz YTLUQEQFCGBWJU-LJQANCHMSA-N 0 3 324.428 3.455 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000348728352 533116423 /nfs/dbraw/zinc/11/64/23/533116423.db2.gz KQXNOVCTDZXGFY-LRDDRELGSA-N 0 3 313.788 3.295 20 30 DGEDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1cccs1 ZINC000157534422 197195041 /nfs/dbraw/zinc/19/50/41/197195041.db2.gz QTILIFWKDIFZIC-CQSZACIVSA-N 0 3 316.386 3.243 20 30 DGEDHN Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000343467526 254148111 /nfs/dbraw/zinc/14/81/11/254148111.db2.gz MSTVVGIVQYLWBX-KSSFIOAISA-N 0 3 312.388 3.260 20 30 DGEDHN Cc1cc2ncc([C@H](C)NCCc3cccc(C#N)c3)c(C)n2n1 ZINC000343573456 254162537 /nfs/dbraw/zinc/16/25/37/254162537.db2.gz OCSJKMBLSWJGEB-AWEZNQCLSA-N 0 3 319.412 3.111 20 30 DGEDHN CC(C)n1nccc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)s1 ZINC000343396106 254137348 /nfs/dbraw/zinc/13/73/48/254137348.db2.gz HXNGVISQGMFFNB-GDBMZVCRSA-N 0 3 316.430 3.017 20 30 DGEDHN COCCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000344089532 254223659 /nfs/dbraw/zinc/22/36/59/254223659.db2.gz CZIQOBYAYTVOPL-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN COc1cccc(COCCN[C@H](C)c2cccc(C#N)c2)c1 ZINC000344292705 254251569 /nfs/dbraw/zinc/25/15/69/254251569.db2.gz GBYLOJWICAURFG-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN N#Cc1csc(CNCCc2ccn(-c3ccccc3)n2)c1 ZINC000343996801 254210835 /nfs/dbraw/zinc/21/08/35/254210835.db2.gz YECHEIDDGGFNIM-UHFFFAOYSA-N 0 3 308.410 3.138 20 30 DGEDHN C[C@H](CCc1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000345108388 254331456 /nfs/dbraw/zinc/33/14/56/254331456.db2.gz SHLPFLAYIYCPQD-QGZVFWFLSA-N 0 3 320.440 3.097 20 30 DGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152673827 533171056 /nfs/dbraw/zinc/17/10/56/533171056.db2.gz PQTBSHVAPZNLDP-RWBIUQBRSA-N 0 3 317.477 3.038 20 30 DGEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccc(F)cc2)cc1 ZINC000344131471 533190972 /nfs/dbraw/zinc/19/09/72/533190972.db2.gz MGSAGSLHWAKGCD-YVEFUNNKSA-N 0 3 312.344 3.200 20 30 DGEDHN COc1cc(CN2CCCCC[C@@H]2C[C@@H](C)O)ccc1C#N ZINC000289861069 221274509 /nfs/dbraw/zinc/27/45/09/221274509.db2.gz VJMCHHPMKWTHPM-RHSMWYFYSA-N 0 3 302.418 3.082 20 30 DGEDHN CCCNC(=O)C1(NCc2ccc(F)c(C#N)c2)CCCCC1 ZINC000121686392 195329268 /nfs/dbraw/zinc/32/92/68/195329268.db2.gz LFZAZWNOADDYHT-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1cccc(C#N)c1 ZINC000122088645 195399806 /nfs/dbraw/zinc/39/98/06/195399806.db2.gz GSHUMOZLYKVZGL-HZPDHXFCSA-N 0 3 315.417 3.094 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000318450276 533267137 /nfs/dbraw/zinc/26/71/37/533267137.db2.gz PMZZJUGLNMQUFD-RHSMWYFYSA-N 0 3 302.418 3.082 20 30 DGEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)c2ccccc12 ZINC000354470336 533353565 /nfs/dbraw/zinc/35/35/65/533353565.db2.gz NIFYKKXVOLLRAX-HNNXBMFYSA-N 0 3 303.321 3.128 20 30 DGEDHN CSC1(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1 ZINC000340560187 533480706 /nfs/dbraw/zinc/48/07/06/533480706.db2.gz DZWNQQCPCDXKIP-KRWDZBQOSA-N 0 3 315.486 3.155 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000295661995 533496138 /nfs/dbraw/zinc/49/61/38/533496138.db2.gz AWYZDVRJLCFYDW-CGTJXYLNSA-N 0 3 312.413 3.004 20 30 DGEDHN COc1cccc(N2CC[C@@H](NCc3ccc(C#N)c(C)c3)C2)c1 ZINC000443968055 533582222 /nfs/dbraw/zinc/58/22/22/533582222.db2.gz NEEUJGTZWXWARM-GOSISDBHSA-N 0 3 321.424 3.244 20 30 DGEDHN COc1ccc(CN(C)[C@H]2CCSC2)cc1OCCCC#N ZINC000130615754 533545400 /nfs/dbraw/zinc/54/54/00/533545400.db2.gz XOYRWUYJOJHFTB-HNNXBMFYSA-N 0 3 320.458 3.315 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000341201745 533629740 /nfs/dbraw/zinc/62/97/40/533629740.db2.gz MKNVLRSLWNFEHH-CJNGLKHVSA-N 0 3 314.433 3.092 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(C#N)c(F)c1 ZINC000595060074 400095061 /nfs/dbraw/zinc/09/50/61/400095061.db2.gz LGYDBRBKTLWVNM-JSWQWCFQSA-N 0 3 308.422 3.038 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3cc(C)ccc32)CC1 ZINC000091218487 400105372 /nfs/dbraw/zinc/10/53/72/400105372.db2.gz LWVGESOSWFXKRF-UHFFFAOYSA-N 0 3 313.445 3.108 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000303726520 400111829 /nfs/dbraw/zinc/11/18/29/400111829.db2.gz TUCIJVLZYZGUHV-GOSISDBHSA-N 0 3 319.452 3.480 20 30 DGEDHN Cc1cc(CN)cc(NC(=O)NC(C)(C)c2cccc(C#N)c2)c1 ZINC000595236169 400112395 /nfs/dbraw/zinc/11/23/95/400112395.db2.gz JSEIGLPARPMZAN-UHFFFAOYSA-N 0 3 322.412 3.382 20 30 DGEDHN Cc1cccc(C)c1[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595248601 400113151 /nfs/dbraw/zinc/11/31/51/400113151.db2.gz BIIRDADZRVMSDU-DLBZAZTESA-N 0 3 313.445 3.378 20 30 DGEDHN CC(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000008003876 400115737 /nfs/dbraw/zinc/11/57/37/400115737.db2.gz IZAYFOCVFKYHCD-MSOLQXFVSA-N 0 3 319.424 3.167 20 30 DGEDHN C=CCN(Cc1cnc2c(C#N)cnn2c1)CC1CCCCC1 ZINC000581608516 400081136 /nfs/dbraw/zinc/08/11/36/400081136.db2.gz QKKKBMAPFLSORU-UHFFFAOYSA-N 0 3 309.417 3.169 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC000581734392 400082365 /nfs/dbraw/zinc/08/23/65/400082365.db2.gz JQAYMXKEIDWVCT-UHFFFAOYSA-N 0 3 300.446 3.364 20 30 DGEDHN CC(C)c1ccc(CNC[C@H](O)COc2ccccc2C#N)cc1 ZINC000324336094 400179496 /nfs/dbraw/zinc/17/94/96/400179496.db2.gz LKHSDPJKFGOCLY-IBGZPJMESA-N 0 3 324.424 3.211 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000609631691 400182624 /nfs/dbraw/zinc/18/26/24/400182624.db2.gz OFFLJSBHZKBKSC-OLMNPRSZSA-N 0 3 311.429 3.397 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000067141598 400147953 /nfs/dbraw/zinc/14/79/53/400147953.db2.gz OGXUDHBBPSWGOU-UHFFFAOYSA-N 0 3 318.420 3.222 20 30 DGEDHN CC(C)OC(=O)C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595444019 400152302 /nfs/dbraw/zinc/15/23/02/400152302.db2.gz VPOATEAPQYASSZ-SFHVURJKSA-N 0 3 314.429 3.154 20 30 DGEDHN COc1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cc1C#N ZINC000600788300 400153449 /nfs/dbraw/zinc/15/34/49/400153449.db2.gz IYGZRROMVAZRQP-ORAYPTAESA-N 0 3 308.381 3.283 20 30 DGEDHN C[C@@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCCC[C@@H]1C ZINC000595447859 400153808 /nfs/dbraw/zinc/15/38/08/400153808.db2.gz GEXOQOVWDSVVNC-HOTGVXAUSA-N 0 3 320.481 3.023 20 30 DGEDHN N#Cc1ccc(CCN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000595559211 400187343 /nfs/dbraw/zinc/18/73/43/400187343.db2.gz RXVYYMQBMKYDER-UHFFFAOYSA-N 0 3 312.310 3.467 20 30 DGEDHN N#Cc1c(CN2CCc3ccccc3CC2)cn2ccccc12 ZINC000609705591 400187427 /nfs/dbraw/zinc/18/74/27/400187427.db2.gz UVXRYTRHGPECJJ-UHFFFAOYSA-N 0 3 301.393 3.412 20 30 DGEDHN Cc1noc(C)c1[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000586790078 400156844 /nfs/dbraw/zinc/15/68/44/400156844.db2.gz VGUYMINPCQSNMU-ZDUSSCGKSA-N 0 3 324.428 3.483 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000319745585 400161522 /nfs/dbraw/zinc/16/15/22/400161522.db2.gz YHOORXYCSHCGJU-NEPJUHHUSA-N 0 3 306.369 3.140 20 30 DGEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000609358308 400161831 /nfs/dbraw/zinc/16/18/31/400161831.db2.gz YXIJZMMLZTYMNX-UHFFFAOYSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C(C)CN(CCc1ccc(C#N)cc1)Cc1ccc(CO)o1 ZINC000595485628 400165067 /nfs/dbraw/zinc/16/50/67/400165067.db2.gz YMNFSQAZAKDCKB-UHFFFAOYSA-N 0 3 310.397 3.264 20 30 DGEDHN CC[C@H](CC(F)F)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500282 400168845 /nfs/dbraw/zinc/16/88/45/400168845.db2.gz DJJCXQODDGTCNR-TZMCWYRMSA-N 0 3 309.360 3.088 20 30 DGEDHN C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(C#N)c1 ZINC000610344804 400244718 /nfs/dbraw/zinc/24/47/18/400244718.db2.gz IQRLFUKADDIUOO-CYBMUJFWSA-N 0 3 321.359 3.129 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCCCCC#N ZINC000588163247 400194152 /nfs/dbraw/zinc/19/41/52/400194152.db2.gz HZXWFVGYRPFCFE-MRXNPFEDSA-N 0 3 301.434 3.097 20 30 DGEDHN N#Cc1cccc(CNc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000609851372 400195223 /nfs/dbraw/zinc/19/52/23/400195223.db2.gz BVWYNGJFWVWOSW-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN CCN(Cc1ccc(Br)cc1C#N)C[C@@H]1CCOC1 ZINC000588198396 400200331 /nfs/dbraw/zinc/20/03/31/400200331.db2.gz KZQUMELWEJQRBQ-LBPRGKRZSA-N 0 3 323.234 3.179 20 30 DGEDHN Cc1ccc(C)c(Oc2ccc(CNC(=O)C(C)C#N)cn2)c1 ZINC000609920155 400201558 /nfs/dbraw/zinc/20/15/58/400201558.db2.gz OEYHETLZMXEAMZ-AWEZNQCLSA-N 0 3 309.369 3.267 20 30 DGEDHN N#Cc1cc(F)c(N2CCCN(C3CCCC3)CC2)c(F)c1 ZINC000609964922 400203657 /nfs/dbraw/zinc/20/36/57/400203657.db2.gz PUFNZAOYBAJTJW-UHFFFAOYSA-N 0 3 305.372 3.291 20 30 DGEDHN N#CCCCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000588250651 400205470 /nfs/dbraw/zinc/20/54/70/400205470.db2.gz UBTLVGVDPDPGKC-OAHLLOKOSA-N 0 3 319.474 3.475 20 30 DGEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000610001907 400206524 /nfs/dbraw/zinc/20/65/24/400206524.db2.gz LHBMRHGSWAJNHQ-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN CCOc1ccc(NC(=O)CCN2CCC[C@H](CC#N)C2)cc1 ZINC000595620690 400209265 /nfs/dbraw/zinc/20/92/65/400209265.db2.gz OVVQNGJHZZZXJD-OAHLLOKOSA-N 0 3 315.417 3.040 20 30 DGEDHN COc1ccc(OC2CCN(CCCSCC#N)CC2)cc1 ZINC000610409629 400255060 /nfs/dbraw/zinc/25/50/60/400255060.db2.gz ZLNGAAQIHLGAGT-UHFFFAOYSA-N 0 3 320.458 3.185 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000595791762 400263129 /nfs/dbraw/zinc/26/31/29/400263129.db2.gz WLFOHBYYNGIQST-AEFFLSMTSA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1csc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000610488768 400263422 /nfs/dbraw/zinc/26/34/22/400263422.db2.gz ROTRJQLMDMZSKD-CYBMUJFWSA-N 0 3 319.380 3.266 20 30 DGEDHN CN1CCN(C(=O)Nc2ccc(C#N)cc2)CC12CCCCC2 ZINC000601227802 400268720 /nfs/dbraw/zinc/26/87/20/400268720.db2.gz UCIVOJOSIDYFJW-UHFFFAOYSA-N 0 3 312.417 3.040 20 30 DGEDHN N#Cc1nc(N2CCCC[C@@H](N3CCCC3)C2)sc1Cl ZINC000596119366 400322697 /nfs/dbraw/zinc/32/26/97/400322697.db2.gz CXUXFQGASNVSJO-LLVKDONJSA-N 0 3 310.854 3.123 20 30 DGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(CCC1CC1)CC1CC1 ZINC000595871844 400283575 /nfs/dbraw/zinc/28/35/75/400283575.db2.gz RTNNJFXUHJMJML-CQSZACIVSA-N 0 3 311.429 3.397 20 30 DGEDHN CC(C)(C)OCCCN1CCCN(c2ccccc2C#N)CC1 ZINC000610681332 400290743 /nfs/dbraw/zinc/29/07/43/400290743.db2.gz SVJPICBPNVJATH-UHFFFAOYSA-N 0 3 315.461 3.276 20 30 DGEDHN N#Cc1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)ccc1F ZINC000595908235 400292246 /nfs/dbraw/zinc/29/22/46/400292246.db2.gz GLPOFJHQAHXWMW-HDICACEKSA-N 0 3 300.377 3.090 20 30 DGEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000610877517 400319757 /nfs/dbraw/zinc/31/97/57/400319757.db2.gz JVEOCCRXTUQBHP-ZDUSSCGKSA-N 0 3 320.824 3.208 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCOCC23CCCC3)cc1 ZINC000093840690 400258912 /nfs/dbraw/zinc/25/89/12/400258912.db2.gz MLRNFIXHVMUMBM-UHFFFAOYSA-N 0 3 313.445 3.181 20 30 DGEDHN N#Cc1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1F ZINC000595786530 400260027 /nfs/dbraw/zinc/26/00/27/400260027.db2.gz BBXSJWBLBYIOCU-CRAIPNDOSA-N 0 3 302.393 3.478 20 30 DGEDHN CC(C)[C@H](CNc1ncccc1C#N)N1CCc2ccccc2C1 ZINC000026727808 400262007 /nfs/dbraw/zinc/26/20/07/400262007.db2.gz CIHSMSMAINKLOY-IBGZPJMESA-N 0 3 320.440 3.448 20 30 DGEDHN COc1cc2nccc(N3CCC[C@H](CC#N)C3)c2cc1OC ZINC000596325655 400380743 /nfs/dbraw/zinc/38/07/43/400380743.db2.gz LGYFFZQLMIRUMJ-CYBMUJFWSA-N 0 3 311.385 3.382 20 30 DGEDHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000611388493 400389941 /nfs/dbraw/zinc/38/99/41/400389941.db2.gz PHENKVACKGXENW-LPHOPBHVSA-N 0 3 324.424 3.266 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCC2CCCCC2)CC1 ZINC000106264264 400326555 /nfs/dbraw/zinc/32/65/55/400326555.db2.gz HTIIEHAHIABQJR-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN N#CC1(CNC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000578398153 400328516 /nfs/dbraw/zinc/32/85/16/400328516.db2.gz BMKBTUHHMLIYMH-UHFFFAOYSA-N 0 3 303.837 3.198 20 30 DGEDHN CC(C#N)C(=O)NCCc1ccccc1OCc1ccccc1 ZINC000601688075 400329914 /nfs/dbraw/zinc/32/99/14/400329914.db2.gz MUMVNMXMVBNRBU-OAHLLOKOSA-N 0 3 308.381 3.084 20 30 DGEDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1cccc(C#N)c1 ZINC000610987367 400333096 /nfs/dbraw/zinc/33/30/96/400333096.db2.gz ICUYLIUIOGSMHB-KBXCAEBGSA-N 0 3 311.429 3.142 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000072578367 400391165 /nfs/dbraw/zinc/39/11/65/400391165.db2.gz PICZSRBNPYDCMQ-QGZVFWFLSA-N 0 3 308.385 3.052 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCC ZINC000601978593 400391671 /nfs/dbraw/zinc/39/16/71/400391671.db2.gz FINBZVHGGIHHRH-UHFFFAOYSA-N 0 3 308.495 3.385 20 30 DGEDHN C[C@H](N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000589950147 400341746 /nfs/dbraw/zinc/34/17/46/400341746.db2.gz VMWKGPSSDQXVOQ-WFBYXXMGSA-N 0 3 316.298 3.194 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(C/C=C\c3ccccc3)C2)nc1 ZINC000590004528 400346745 /nfs/dbraw/zinc/34/67/45/400346745.db2.gz FAVLMDRZSDNKTF-GINYUPMKSA-N 0 3 305.381 3.120 20 30 DGEDHN CC(C)(CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000590052963 400351063 /nfs/dbraw/zinc/35/10/63/400351063.db2.gz FLEFTCCSNLLMNM-GOSISDBHSA-N 0 3 321.424 3.384 20 30 DGEDHN C[C@@H](CCSc1ccccc1)N1CCN(CCC#N)CC1 ZINC000611175352 400354109 /nfs/dbraw/zinc/35/41/09/400354109.db2.gz FHWPQDMVCFBZCQ-INIZCTEOSA-N 0 3 303.475 3.089 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C(C)(C)C)C1)c1ccccc1 ZINC000617344889 400360891 /nfs/dbraw/zinc/36/08/91/400360891.db2.gz RJJRYEPFSWIDRE-IRXDYDNUSA-N 0 3 300.446 3.335 20 30 DGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590159560 400364338 /nfs/dbraw/zinc/36/43/38/400364338.db2.gz DRAPAOAQVAHHLA-YTQUADARSA-N 0 3 317.477 3.182 20 30 DGEDHN CC(C)(NCCOCCC#N)c1ccc(Br)cc1 ZINC000590166131 400365251 /nfs/dbraw/zinc/36/52/51/400365251.db2.gz XMTJPHKOMQCDIE-UHFFFAOYSA-N 0 3 311.223 3.204 20 30 DGEDHN C=CC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111504172 400365879 /nfs/dbraw/zinc/36/58/79/400365879.db2.gz UQVVBNPYTIMDRP-INIZCTEOSA-N 0 3 315.461 3.115 20 30 DGEDHN CCN1CCCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)C1 ZINC000596269621 400367334 /nfs/dbraw/zinc/36/73/34/400367334.db2.gz VQJSOPLDUVKFBA-AWEZNQCLSA-N 0 3 300.450 3.171 20 30 DGEDHN CCC[C@@H](O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000112377782 400372319 /nfs/dbraw/zinc/37/23/19/400372319.db2.gz CTUKLJCSTNLYQJ-LJQANCHMSA-N 0 3 324.424 3.388 20 30 DGEDHN N#Cc1nc(N2CCC[C@@H]2CN2CCCCC2)sc1Cl ZINC000590583501 400398160 /nfs/dbraw/zinc/39/81/60/400398160.db2.gz YPZRKGSKXABEJZ-LLVKDONJSA-N 0 3 310.854 3.123 20 30 DGEDHN N#CCN1CCC(NC2c3ccccc3-c3ccccc32)CC1 ZINC000611522822 400415239 /nfs/dbraw/zinc/41/52/39/400415239.db2.gz OGPJCRKFLSMSCR-UHFFFAOYSA-N 0 3 303.409 3.334 20 30 DGEDHN N#Cc1c(F)cccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596440444 400415606 /nfs/dbraw/zinc/41/56/06/400415606.db2.gz LBNWWCSXMUMXLD-UHFFFAOYSA-N 0 3 324.403 3.416 20 30 DGEDHN COc1ccc(C2(NCCC(C)(C)C#N)CCOCC2)cc1 ZINC000611463139 400404706 /nfs/dbraw/zinc/40/47/06/400404706.db2.gz ZIYCCUDUEGJKBJ-UHFFFAOYSA-N 0 3 302.418 3.230 20 30 DGEDHN Cc1c(C#N)cccc1NCc1ccc(OCCN(C)C)cc1 ZINC000611530469 400417711 /nfs/dbraw/zinc/41/77/11/400417711.db2.gz BQPRHDQCMUYYDZ-UHFFFAOYSA-N 0 3 309.413 3.419 20 30 DGEDHN C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CCN(C2CC2)C1 ZINC000590703956 400420269 /nfs/dbraw/zinc/42/02/69/400420269.db2.gz LQJYOUBEWFRZNV-CQSZACIVSA-N 0 3 312.461 3.171 20 30 DGEDHN C=CCCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000617615671 400426329 /nfs/dbraw/zinc/42/63/29/400426329.db2.gz WRGLTNOXMNFDRV-MRXNPFEDSA-N 0 3 316.445 3.246 20 30 DGEDHN CC1(C)[C@H](NCc2ccnc(C#N)c2)C[C@H]1OCc1ccccc1 ZINC000590756664 400428485 /nfs/dbraw/zinc/42/84/85/400428485.db2.gz OWLYRVGXQJLQRA-RTBURBONSA-N 0 3 321.424 3.427 20 30 DGEDHN CC1(C)[C@H](NCc2ccnc(C#N)c2)C[C@@H]1OCc1ccccc1 ZINC000590756661 400428577 /nfs/dbraw/zinc/42/85/77/400428577.db2.gz OWLYRVGXQJLQRA-MOPGFXCFSA-N 0 3 321.424 3.427 20 30 DGEDHN CSC1c2cc(-c3noc([C@@H](C)CC#N)n3)ccc2NC1=O ZINC000596585126 400450857 /nfs/dbraw/zinc/45/08/57/400450857.db2.gz ZISSBDKSFRJJKH-QPUJVOFHSA-N 0 3 314.370 3.110 20 30 DGEDHN COc1cc(F)cc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602575417 400501571 /nfs/dbraw/zinc/50/15/71/400501571.db2.gz HNPNHWBHVFZKKS-CYBMUJFWSA-N 0 3 306.381 3.023 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1-n1cccn1 ZINC000602591497 400507514 /nfs/dbraw/zinc/50/75/14/400507514.db2.gz GDXUROGWGNWTKE-INIZCTEOSA-N 0 3 324.428 3.061 20 30 DGEDHN C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)c1cccc(C#N)c1 ZINC000591310225 400508135 /nfs/dbraw/zinc/50/81/35/400508135.db2.gz NEYOXEDNHKLRMO-ZDUSSCGKSA-N 0 3 320.396 3.087 20 30 DGEDHN N#Cc1ccc(CN(C(=O)Nc2cccc(CN)c2)C2CC2)cc1 ZINC000591310197 400508195 /nfs/dbraw/zinc/50/81/95/400508195.db2.gz GKQRYAJQZXBSQU-UHFFFAOYSA-N 0 3 320.396 3.213 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000591317479 400509514 /nfs/dbraw/zinc/50/95/14/400509514.db2.gz JQKZDDMZBRPVFL-SFHVURJKSA-N 0 3 307.397 3.498 20 30 DGEDHN CCN(CC)Cc1cccc(NC(=O)c2ccc(C#N)c(C)n2)c1 ZINC000073736507 400466597 /nfs/dbraw/zinc/46/65/97/400466597.db2.gz MOQHNDFTDLCMBM-UHFFFAOYSA-N 0 3 322.412 3.356 20 30 DGEDHN C[C@H](CC#N)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000596657484 400474012 /nfs/dbraw/zinc/47/40/12/400474012.db2.gz MYMUQOMSPPYXEV-CABCVRRESA-N 0 3 319.474 3.187 20 30 DGEDHN C[C@H](CC#N)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000596657486 400474198 /nfs/dbraw/zinc/47/41/98/400474198.db2.gz MYMUQOMSPPYXEV-HUUCEWRRSA-N 0 3 319.474 3.187 20 30 DGEDHN CCOCc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602507602 400482773 /nfs/dbraw/zinc/48/27/73/400482773.db2.gz FUKZDOCMIUJLFD-MRXNPFEDSA-N 0 3 316.445 3.412 20 30 DGEDHN CCOCc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602512757 400483870 /nfs/dbraw/zinc/48/38/70/400483870.db2.gz UJPISHJXUJBTRV-INIZCTEOSA-N 0 3 316.445 3.412 20 30 DGEDHN N#Cc1cccc(CNCCc2ccc(C(F)(F)F)cc2)n1 ZINC000602513090 400484901 /nfs/dbraw/zinc/48/49/01/400484901.db2.gz YYEDUEOVSMKIAC-UHFFFAOYSA-N 0 3 305.303 3.304 20 30 DGEDHN CC(C)Oc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602516447 400485890 /nfs/dbraw/zinc/48/58/90/400485890.db2.gz LXUMWGPZYGMCGG-OAHLLOKOSA-N 0 3 317.433 3.057 20 30 DGEDHN N#Cc1cccc(CNCCc2ccccc2OC(F)(F)F)n1 ZINC000602565965 400497983 /nfs/dbraw/zinc/49/79/83/400497983.db2.gz CCSRTNWWMWYCRU-UHFFFAOYSA-N 0 3 321.302 3.184 20 30 DGEDHN Cc1csc(NC(=O)N[C@H](C)CN2CCC(C)CC2)c1C#N ZINC000596904129 400521112 /nfs/dbraw/zinc/52/11/12/400521112.db2.gz NQVPQBUYACCNIP-CYBMUJFWSA-N 0 3 320.462 3.170 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc2ncccc2c1 ZINC000602653390 400525183 /nfs/dbraw/zinc/52/51/83/400525183.db2.gz ZOZZRXKODSFCJA-OAHLLOKOSA-N 0 3 309.413 3.423 20 30 DGEDHN N#CC1(c2ccc(CN3CCN(C4CCCC4)CC3)cc2)CC1 ZINC000596983066 400534264 /nfs/dbraw/zinc/53/42/64/400534264.db2.gz NGZOLZTWZWDFBL-UHFFFAOYSA-N 0 3 309.457 3.302 20 30 DGEDHN C[C@@H](CCC#N)CN[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602726278 400552741 /nfs/dbraw/zinc/55/27/41/400552741.db2.gz PHZHCRLKYLVLCF-FZMZJTMJSA-N 0 3 323.799 3.114 20 30 DGEDHN C[C@H](CCC#N)CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602726277 400553338 /nfs/dbraw/zinc/55/33/38/400553338.db2.gz PHZHCRLKYLVLCF-BXUZGUMPSA-N 0 3 323.799 3.114 20 30 DGEDHN N#Cc1cc(S[C@H]2CCCN(Cc3ccccc3)C2)ncn1 ZINC000591827527 400563913 /nfs/dbraw/zinc/56/39/13/400563913.db2.gz VUDAFKMNYMQGTI-INIZCTEOSA-N 0 3 310.426 3.105 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2cc3ccccc3n2CC#N)n1 ZINC000591861736 400567037 /nfs/dbraw/zinc/56/70/37/400567037.db2.gz CZYOHKCIZYZACD-ZDUSSCGKSA-N 0 3 320.377 3.420 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N1CCCCC1 ZINC000075275359 400568791 /nfs/dbraw/zinc/56/87/91/400568791.db2.gz DWBBDGRLNOCFQV-MAUKXSAKSA-N 0 3 313.445 3.246 20 30 DGEDHN C[C@H]1CC2(CN1Cc1cn3ccccc3c1C#N)CCOCC2 ZINC000592181473 400619632 /nfs/dbraw/zinc/61/96/32/400619632.db2.gz DVSPNRQFFWRJDE-HNNXBMFYSA-N 0 3 309.413 3.202 20 30 DGEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C#N)c1 ZINC000612876300 400621576 /nfs/dbraw/zinc/62/15/76/400621576.db2.gz GQWHBQWUGYYIAO-BEFAXECRSA-N 0 3 306.413 3.276 20 30 DGEDHN Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000602990880 400622871 /nfs/dbraw/zinc/62/28/71/400622871.db2.gz ITQOSAZRMUVLLA-IIDMSEBBSA-N 0 3 301.434 3.089 20 30 DGEDHN N#CCC1(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000602842922 400589822 /nfs/dbraw/zinc/58/98/22/400589822.db2.gz SFDVJZFDVFXLOL-CYBMUJFWSA-N 0 3 316.367 3.361 20 30 DGEDHN Cc1ccccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010920 400595299 /nfs/dbraw/zinc/59/52/99/400595299.db2.gz HHRZXFQJULRYJM-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN C[C@H](O)C1(NCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000597235111 400595474 /nfs/dbraw/zinc/59/54/74/400595474.db2.gz UPBSJLPOUSEQCA-HNNXBMFYSA-N 0 3 322.408 3.140 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2cccc(Cl)c2)CC1 ZINC000592069415 400601569 /nfs/dbraw/zinc/60/15/69/400601569.db2.gz JHMOFHXYXXIYFY-UHFFFAOYSA-N 0 3 306.837 3.039 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc(N(C)C)c1 ZINC000075674712 400602606 /nfs/dbraw/zinc/60/26/06/400602606.db2.gz YTPFBNYPHSZJDV-UHFFFAOYSA-N 0 3 323.440 3.273 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000048230273 400650363 /nfs/dbraw/zinc/65/03/63/400650363.db2.gz QGSHMBJTRODVJJ-HOTGVXAUSA-N 0 3 316.445 3.102 20 30 DGEDHN CC[C@@H]1CN(C)CCCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000597606036 400651668 /nfs/dbraw/zinc/65/16/68/400651668.db2.gz TXTVOMQGRJJAGC-ZWKOTPCHSA-N 0 3 313.445 3.017 20 30 DGEDHN CCCN(C)[C@@H](CNC(=O)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000597639928 400655223 /nfs/dbraw/zinc/65/52/23/400655223.db2.gz SPZGPFBCZSUNJH-BBRMVZONSA-N 0 3 321.852 3.389 20 30 DGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1 ZINC000597662103 400657384 /nfs/dbraw/zinc/65/73/84/400657384.db2.gz YACBOYJDYBDBJX-MAUKXSAKSA-N 0 3 315.461 3.154 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)C2CCCCC2)CC1 ZINC000592517846 400662469 /nfs/dbraw/zinc/66/24/69/400662469.db2.gz DXYJDLWUJKZOCI-QGZVFWFLSA-N 0 3 307.482 3.295 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)CC#N)N(CC)CC)cc1 ZINC000597691947 400661659 /nfs/dbraw/zinc/66/16/59/400661659.db2.gz JIPARINELHTBJN-CRAIPNDOSA-N 0 3 315.461 3.298 20 30 DGEDHN C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000613188776 400669853 /nfs/dbraw/zinc/66/98/53/400669853.db2.gz BRKUBFIIUPPUTG-CRAIPNDOSA-N 0 3 317.477 3.087 20 30 DGEDHN CC(C)N(C(=O)[C@H](C)CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597806886 400675315 /nfs/dbraw/zinc/67/53/15/400675315.db2.gz MQCBMKUZUDTURS-AEFFLSMTSA-N 0 3 313.445 3.048 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CCC)C2CCCCC2)CC1 ZINC000076836086 400675985 /nfs/dbraw/zinc/67/59/85/400675985.db2.gz GNWVBIFCOVZDIU-GOSISDBHSA-N 0 3 304.478 3.197 20 30 DGEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(OC)c1 ZINC000618742296 400679945 /nfs/dbraw/zinc/67/99/45/400679945.db2.gz MAFKVOPEPQPUPO-LJQANCHMSA-N 0 3 308.381 3.353 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000613255718 400683427 /nfs/dbraw/zinc/68/34/27/400683427.db2.gz BZBKSQAJNLDHOI-BYCMXARLSA-N 0 3 312.335 3.411 20 30 DGEDHN N#Cc1cccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC000603865082 400726133 /nfs/dbraw/zinc/72/61/33/400726133.db2.gz QFBXMRFUFRLCJY-OALUTQOASA-N 0 3 303.409 3.126 20 30 DGEDHN N#Cc1ccccc1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864825 400726544 /nfs/dbraw/zinc/72/65/44/400726544.db2.gz ITRQIAMBKFHBJO-RTBURBONSA-N 0 3 303.409 3.126 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H](CC)C2)CC1 ZINC000077567005 400727359 /nfs/dbraw/zinc/72/73/59/400727359.db2.gz UIRIXDJTXQVGMT-RDJZCZTQSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(Cl)CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000077604124 400731155 /nfs/dbraw/zinc/73/11/55/400731155.db2.gz GDWJNVUEVUREAY-CQSZACIVSA-N 0 3 321.852 3.264 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000161832656 400743142 /nfs/dbraw/zinc/74/31/42/400743142.db2.gz DCQFAKQZAPINEB-OAHLLOKOSA-N 0 3 300.402 3.114 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1ccccc1 ZINC000052802537 400746935 /nfs/dbraw/zinc/74/69/35/400746935.db2.gz UIHPCWKHDWPUOY-INIZCTEOSA-N 0 3 321.424 3.450 20 30 DGEDHN CC(C)CCN(CCC(C)C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000052872057 400751398 /nfs/dbraw/zinc/75/13/98/400751398.db2.gz GNWWDYKMTQLWIH-GOSISDBHSA-N 0 3 307.482 3.189 20 30 DGEDHN COC[C@H](Cc1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618804231 400693122 /nfs/dbraw/zinc/69/31/22/400693122.db2.gz KLUKOOJJYYDYOD-ICSRJNTNSA-N 0 3 306.409 3.393 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000165719076 400752204 /nfs/dbraw/zinc/75/22/04/400752204.db2.gz QECZHBKOMDUEGJ-HKUYNNGSSA-N 0 3 315.461 3.418 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(CC)CC1 ZINC000613382601 400707615 /nfs/dbraw/zinc/70/76/15/400707615.db2.gz XFOKBNVIWKJFBM-GOSISDBHSA-N 0 3 303.446 3.277 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC000171725323 400805820 /nfs/dbraw/zinc/80/58/20/400805820.db2.gz LGRYCOFHKCKCRS-SFHVURJKSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613734718 400782800 /nfs/dbraw/zinc/78/28/00/400782800.db2.gz TUWGTMPOXAOIDU-GOEBONIOSA-N 0 3 311.429 3.038 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]3C3CCC3)C2=O)cc1 ZINC000619157556 400784947 /nfs/dbraw/zinc/78/49/47/400784947.db2.gz FHTMBEXRNLBSJP-MOPGFXCFSA-N 0 3 323.440 3.318 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000180019355 400881542 /nfs/dbraw/zinc/88/15/42/400881542.db2.gz JSLJBANTBRYGGG-NOXHYTERSA-N 0 3 306.837 3.317 20 30 DGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598586856 400837653 /nfs/dbraw/zinc/83/76/53/400837653.db2.gz JGINMMBANFPXII-WBVHZDCISA-N 0 3 302.418 3.133 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000598592818 400838716 /nfs/dbraw/zinc/83/87/16/400838716.db2.gz NRNQPCWFDMVLHX-CVEARBPZSA-N 0 3 304.459 3.077 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000598592820 400838988 /nfs/dbraw/zinc/83/89/88/400838988.db2.gz NRNQPCWFDMVLHX-HOTGVXAUSA-N 0 3 304.459 3.077 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCS[C@@H](c2ccccc2)C1 ZINC000598593493 400840275 /nfs/dbraw/zinc/84/02/75/400840275.db2.gz UGLNRLHACYMOPC-JKSUJKDBSA-N 0 3 304.459 3.077 20 30 DGEDHN CCOc1ccccc1[C@@H](CC)NC[C@@H](O)CC(C)(C)C#N ZINC000598602410 400841330 /nfs/dbraw/zinc/84/13/30/400841330.db2.gz NRCOXZWPZGIQMG-GOEBONIOSA-N 0 3 304.434 3.427 20 30 DGEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@H](O)CC(C)(C)C#N ZINC000598598865 400841441 /nfs/dbraw/zinc/84/14/41/400841441.db2.gz FIOPWYNXHXJIJW-DVOMOZLQSA-N 0 3 304.409 3.434 20 30 DGEDHN N#CCCN1CCN(CCCCc2cccc(Cl)c2)CC1 ZINC000598600669 400841573 /nfs/dbraw/zinc/84/15/73/400841573.db2.gz WNQHTCDBOSPRSF-UHFFFAOYSA-N 0 3 305.853 3.194 20 30 DGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000598600750 400841998 /nfs/dbraw/zinc/84/19/98/400841998.db2.gz JGSRYRIIRXKVRG-DGCLKSJQSA-N 0 3 312.360 3.239 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Cl)c(Cl)c1 ZINC000598705983 400861948 /nfs/dbraw/zinc/86/19/48/400861948.db2.gz ONZMOJXGZVBTFU-NSHDSACASA-N 0 3 301.217 3.384 20 30 DGEDHN COc1ccc2ccccc2c1CNC[C@H](O)CC(C)(C)C#N ZINC000598715695 400864064 /nfs/dbraw/zinc/86/40/64/400864064.db2.gz SEYFOOIAVSKAEH-OAHLLOKOSA-N 0 3 312.413 3.239 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(-c2ccco2)cc1F ZINC000598723747 400865660 /nfs/dbraw/zinc/86/56/60/400865660.db2.gz KCEFCSQCGGJUCZ-HNNXBMFYSA-N 0 3 316.376 3.476 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000055406375 400867436 /nfs/dbraw/zinc/86/74/36/400867436.db2.gz ZMPVFDRULPTLME-JKSUJKDBSA-N 0 3 316.445 3.102 20 30 DGEDHN N#CC(C(=O)c1cccc2c1OCO2)c1ccc2ccccc2n1 ZINC000614381386 400890290 /nfs/dbraw/zinc/89/02/90/400890290.db2.gz JZSFATAANVBYGS-AWEZNQCLSA-N 0 3 316.316 3.454 20 30 DGEDHN C[C@H](N[C@H]1CCC[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000619704745 400891606 /nfs/dbraw/zinc/89/16/06/400891606.db2.gz DSAKEFJGSAWJER-MJVIPROJSA-N 0 3 317.458 3.214 20 30 DGEDHN CCCN(C)[C@@H](CNC(=O)[C@@H](C#N)CC)c1ccc(Cl)cc1 ZINC000593700859 400896072 /nfs/dbraw/zinc/89/60/72/400896072.db2.gz COSRXWYIZOFOFP-CJNGLKHVSA-N 0 3 321.852 3.389 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000614407706 400896475 /nfs/dbraw/zinc/89/64/75/400896475.db2.gz XGCRLGOUCSPDGS-PEBXRYMYSA-N 0 3 312.438 3.455 20 30 DGEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)c(Cl)c1 ZINC000619755330 400899297 /nfs/dbraw/zinc/89/92/97/400899297.db2.gz XFRBNAFSDGUHRX-NSHDSACASA-N 0 3 308.809 3.422 20 30 DGEDHN Cc1cc([C@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)no1 ZINC000593721073 400899366 /nfs/dbraw/zinc/89/93/66/400899366.db2.gz JTAGHYDJLZWAAK-HNNXBMFYSA-N 0 3 324.428 3.170 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](CC(C)C)c1ccccc1C ZINC000183237107 400900144 /nfs/dbraw/zinc/90/01/44/400900144.db2.gz CMTUQPIJGUPBJU-SFHVURJKSA-N 0 3 315.461 3.434 20 30 DGEDHN C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000619781044 400905973 /nfs/dbraw/zinc/90/59/73/400905973.db2.gz QJSQOPTUUYZTSH-UPJWGTAASA-N 0 3 319.836 3.089 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCc2cccnc21 ZINC000598950334 400910501 /nfs/dbraw/zinc/91/05/01/400910501.db2.gz JNAXFSYTSVWREB-ROUUACIJSA-N 0 3 319.408 3.000 20 30 DGEDHN CN(CCN1CCCCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593881767 400917720 /nfs/dbraw/zinc/91/77/20/400917720.db2.gz AJFWFFYVOHJSKX-UHFFFAOYSA-N 0 3 313.445 3.046 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)C(C#N)(CC)CC)N(C)C)cc1 ZINC000598981144 400919865 /nfs/dbraw/zinc/91/98/65/400919865.db2.gz KSULYTQVQAOSFB-KRWDZBQOSA-N 0 3 315.461 3.298 20 30 DGEDHN C[C@H]1C[C@H](Nc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000080231298 400933550 /nfs/dbraw/zinc/93/35/50/400933550.db2.gz PHMZXRRXRCPNNE-DOTOQJQBSA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000080231296 400933566 /nfs/dbraw/zinc/93/35/66/400933566.db2.gz PHMZXRRXRCPNNE-NVXWUHKLSA-N 0 3 306.413 3.418 20 30 DGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccccc2)cc1 ZINC000198750124 400935710 /nfs/dbraw/zinc/93/57/10/400935710.db2.gz FICUDGFQMSVABK-ICSRJNTNSA-N 0 3 322.408 3.135 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000594109995 400989331 /nfs/dbraw/zinc/98/93/31/400989331.db2.gz AREXVPLIJOGVPL-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN CCC(C#N)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000599185317 400991590 /nfs/dbraw/zinc/99/15/90/400991590.db2.gz YLHYGEBLIHQNNP-INIZCTEOSA-N 0 3 301.434 3.044 20 30 DGEDHN CCN(CCOC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000599270360 401007513 /nfs/dbraw/zinc/00/75/13/401007513.db2.gz HSMFKMCRGKCDEE-OAHLLOKOSA-N 0 3 302.418 3.137 20 30 DGEDHN C=C(CNCc1ccc(-n2cncn2)c(F)c1)c1ccccc1 ZINC000620756847 400966910 /nfs/dbraw/zinc/96/69/10/400966910.db2.gz RGOYMZCZJBIQFF-UHFFFAOYSA-N 0 3 308.360 3.209 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594069124 400974739 /nfs/dbraw/zinc/97/47/39/400974739.db2.gz CWDBAKJGRUQIEW-DOTOQJQBSA-N 0 3 312.417 3.005 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000057153094 400976397 /nfs/dbraw/zinc/97/63/97/400976397.db2.gz BTJGUTUQYLFUKG-KRWDZBQOSA-N 0 3 318.848 3.253 20 30 DGEDHN CCc1ccc(C(C)(C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594432583 401068271 /nfs/dbraw/zinc/06/82/71/401068271.db2.gz DILOYBNAYAINLD-INIZCTEOSA-N 0 3 301.434 3.012 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNC(C)(C)c1nc2ccccc2s1 ZINC000599534088 401069659 /nfs/dbraw/zinc/06/96/59/401069659.db2.gz WSFBHJVXGRJGFK-LBPRGKRZSA-N 0 3 317.458 3.422 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000594445190 401072168 /nfs/dbraw/zinc/07/21/68/401072168.db2.gz BJDVXCVTXZTGRE-OLZOCXBDSA-N 0 3 319.371 3.025 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000081532116 401075254 /nfs/dbraw/zinc/07/52/54/401075254.db2.gz CPXKOPYHDIKPCN-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000081534100 401075607 /nfs/dbraw/zinc/07/56/07/401075607.db2.gz QTWJIFPIOLZCGB-FQEVSTJZSA-N 0 3 305.425 3.265 20 30 DGEDHN C[C@H](C1CC1)N(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248726780 401075768 /nfs/dbraw/zinc/07/57/68/401075768.db2.gz IITYGALMFLKJLZ-KUHUBIRLSA-N 0 3 323.440 3.317 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000594224370 401028101 /nfs/dbraw/zinc/02/81/01/401028101.db2.gz IIEQCQMQQUBKBK-OAHLLOKOSA-N 0 3 321.424 3.437 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(C)cc1 ZINC000599346093 401028524 /nfs/dbraw/zinc/02/85/24/401028524.db2.gz XRVJGOHIUITLBI-RBUKOAKNSA-N 0 3 324.424 3.347 20 30 DGEDHN CCOc1ccccc1[C@H](CC)NC[C@@H](O)CC1(C#N)CC1 ZINC000599350206 401029611 /nfs/dbraw/zinc/02/96/11/401029611.db2.gz NDMDCDXJWBBYCW-HOCLYGCPSA-N 0 3 302.418 3.181 20 30 DGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599351033 401030201 /nfs/dbraw/zinc/03/02/01/401030201.db2.gz VIRUINSSGJQBHO-HUUCEWRRSA-N 0 3 302.418 3.179 20 30 DGEDHN C=C(C)COc1cc(CN[C@H](C)Cn2ccnc2)ccc1OC ZINC000057962671 401039651 /nfs/dbraw/zinc/03/96/51/401039651.db2.gz HLAVEFACZKXCOO-OAHLLOKOSA-N 0 3 315.417 3.025 20 30 DGEDHN Cc1ccccc1C(C)(C)NC[C@@H](O)COc1ccccc1C#N ZINC000599428059 401047343 /nfs/dbraw/zinc/04/73/43/401047343.db2.gz FXYKZKGTBTUBBU-QGZVFWFLSA-N 0 3 324.424 3.131 20 30 DGEDHN Cc1ccc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1C#N ZINC000599431148 401047547 /nfs/dbraw/zinc/04/75/47/401047547.db2.gz SLHQNDXJSUJIOT-GOSISDBHSA-N 0 3 308.429 3.226 20 30 DGEDHN Cc1c(Cl)cnc(N[C@@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594596973 401121933 /nfs/dbraw/zinc/12/19/33/401121933.db2.gz BRCVPFCCJSBFOF-HUUCEWRRSA-N 0 3 304.825 3.344 20 30 DGEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1CC1CCCCC1)C1CC1 ZINC000060892996 401138540 /nfs/dbraw/zinc/13/85/40/401138540.db2.gz AFBIGHRFKYKZIS-HKUYNNGSSA-N 0 3 317.477 3.230 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccccc3NC1=O)CC2 ZINC000594510804 401087675 /nfs/dbraw/zinc/08/76/75/401087675.db2.gz LASOTZMYLGOPSX-RBUKOAKNSA-N 0 3 317.392 3.089 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000594511665 401088879 /nfs/dbraw/zinc/08/88/79/401088879.db2.gz GGQNLWDHQIWBJW-NEPJUHHUSA-N 0 3 306.381 3.326 20 30 DGEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000594511667 401089171 /nfs/dbraw/zinc/08/91/71/401089171.db2.gz GGQNLWDHQIWBJW-RYUDHWBXSA-N 0 3 306.381 3.326 20 30 DGEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000594511668 401089272 /nfs/dbraw/zinc/08/92/72/401089272.db2.gz GGQNLWDHQIWBJW-VXGBXAGGSA-N 0 3 306.381 3.326 20 30 DGEDHN C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(=O)OC(C)(C)C ZINC000594512391 401089302 /nfs/dbraw/zinc/08/93/02/401089302.db2.gz UHHPXHFDUAHRKL-BLLLJJGKSA-N 0 3 300.402 3.113 20 30 DGEDHN C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C(=O)OC(C)(C)C ZINC000594512392 401089432 /nfs/dbraw/zinc/08/94/32/401089432.db2.gz UHHPXHFDUAHRKL-LRDDRELGSA-N 0 3 300.402 3.113 20 30 DGEDHN C=CCC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000599609587 401090968 /nfs/dbraw/zinc/09/09/68/401090968.db2.gz KQDPGJGZHBPASF-UHFFFAOYSA-N 0 3 317.389 3.062 20 30 DGEDHN CC(C)[C@H](CNCc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000594517358 401094520 /nfs/dbraw/zinc/09/45/20/401094520.db2.gz AWPFEENDSLQFCP-HNNXBMFYSA-N 0 3 320.408 3.401 20 30 DGEDHN Cc1cccc([C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599627426 401095113 /nfs/dbraw/zinc/09/51/13/401095113.db2.gz MKHSFZVBCWXTKQ-RBUKOAKNSA-N 0 3 315.461 3.336 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599643595 401100330 /nfs/dbraw/zinc/10/03/30/401100330.db2.gz ORGYNCYOAFMMQL-ZDUSSCGKSA-N 0 3 302.422 3.284 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1cc(C)ccc1C ZINC000599641150 401100391 /nfs/dbraw/zinc/10/03/91/401100391.db2.gz PTFJDTXKTKVTAX-QAPCUYQASA-N 0 3 315.461 3.352 20 30 DGEDHN COc1cc2c(cc1OC)[C@@H](NCc1cccc(C#N)c1)CC2 ZINC000280119846 401151305 /nfs/dbraw/zinc/15/13/05/401151305.db2.gz OHBHHISWFAEILU-KRWDZBQOSA-N 0 3 308.381 3.353 20 30 DGEDHN CC1CCC(N(C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000061799051 401165432 /nfs/dbraw/zinc/16/54/32/401165432.db2.gz PSPVYCIDNOHUCC-UHFFFAOYSA-N 0 3 313.445 3.444 20 30 DGEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3n[nH]cc32)CC1 ZINC000600159768 401200387 /nfs/dbraw/zinc/20/03/87/401200387.db2.gz XMPPFDKFAULKLA-UHFFFAOYSA-N 0 3 317.396 3.015 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c1 ZINC000594963876 401212161 /nfs/dbraw/zinc/21/21/61/401212161.db2.gz KYWCBAIANYVMCR-LDBYXDLTSA-N 0 3 307.459 3.031 20 30 DGEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931281 401285975 /nfs/dbraw/zinc/28/59/75/401285975.db2.gz UCCMTWAKQNQLOI-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN C=CCC1(NCc2csc(CC(=O)N(C)C)n2)CCCCC1 ZINC000625936855 401259765 /nfs/dbraw/zinc/25/97/65/401259765.db2.gz ZGOYXDYMBJPBKD-UHFFFAOYSA-N 0 3 321.490 3.142 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100852 401299605 /nfs/dbraw/zinc/29/96/05/401299605.db2.gz AMIFIZHPZVYRHR-LSDHHAIUSA-N 0 3 318.244 3.334 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OC)c2C)CC1 ZINC000626740979 401408493 /nfs/dbraw/zinc/40/84/93/401408493.db2.gz KRLHHCVGHZKDCK-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)C[C@H](C)OC)cc1OC ZINC000628276194 401565625 /nfs/dbraw/zinc/56/56/25/401565625.db2.gz VTLBMQOLQZNDCT-LBPRGKRZSA-N 0 3 313.825 3.380 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(Br)c(F)c1F ZINC000623542097 401542733 /nfs/dbraw/zinc/54/27/33/401542733.db2.gz NPFFPTCYUKFITF-SNVBAGLBSA-N 0 3 320.177 3.144 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(CC)CCCO)cc1OC ZINC000628183903 401544094 /nfs/dbraw/zinc/54/40/94/401544094.db2.gz SEWQFMTYNZNDBT-UHFFFAOYSA-N 0 3 313.825 3.118 20 30 DGEDHN C=CCc1cc(CN[C@@H](CO)CCC(C)C)cc(OC)c1O ZINC000623646373 401561263 /nfs/dbraw/zinc/56/12/63/401561263.db2.gz DNYUBGWMGZNFJX-MRXNPFEDSA-N 0 3 307.434 3.016 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@@H]1Oc1ccccc1 ZINC000186103358 165027481 /nfs/dbraw/zinc/02/74/81/165027481.db2.gz WMWNPUQIEGFEMS-ZCNNSNEGSA-N 0 3 322.408 3.273 20 30 DGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1C#N ZINC000187142351 165079340 /nfs/dbraw/zinc/07/93/40/165079340.db2.gz IVYRXGTZTQXZHV-SJORKVTESA-N 0 3 303.837 3.270 20 30 DGEDHN Cn1cc(CNCCc2csc(-c3ccccc3)n2)cc1C#N ZINC000190701186 165212916 /nfs/dbraw/zinc/21/29/16/165212916.db2.gz MJDNUFVWVWVPFP-UHFFFAOYSA-N 0 3 322.437 3.353 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1cc(C#N)ccc1OC ZINC000191491891 165254434 /nfs/dbraw/zinc/25/44/34/165254434.db2.gz NLZVFEDWKRQHEK-LJQANCHMSA-N 0 3 324.424 3.256 20 30 DGEDHN Cn1cc(CN[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1C#N ZINC000191613644 165260872 /nfs/dbraw/zinc/26/08/72/165260872.db2.gz MLQIBLNTPFIWIT-RTBURBONSA-N 0 3 323.440 3.370 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1F ZINC000192129674 165283771 /nfs/dbraw/zinc/28/37/71/165283771.db2.gz CUCGXXIPOWHGQU-FQEVSTJZSA-N 0 3 324.399 3.470 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cccc(C#N)c1 ZINC000171646720 432156309 /nfs/dbraw/zinc/15/63/09/432156309.db2.gz PJCPMABLKBAFSZ-INIZCTEOSA-N 0 3 315.417 3.047 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2ccc(CC(C)C)cc2)CC1 ZINC000171723637 432165776 /nfs/dbraw/zinc/16/57/76/432165776.db2.gz IYFXKBRWXHRKCM-UHFFFAOYSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C2CCCCC2)CC1 ZINC000171740344 432167411 /nfs/dbraw/zinc/16/74/11/432167411.db2.gz WNVSYDTVNFSGBV-GOSISDBHSA-N 0 3 319.493 3.391 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccsc1 ZINC000269384810 432168800 /nfs/dbraw/zinc/16/88/00/432168800.db2.gz AKSYKGRIYGGYEK-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN C=CCc1cc(CN2CCS[C@H](C)CC2)cc(OC)c1O ZINC000190691845 432182100 /nfs/dbraw/zinc/18/21/00/432182100.db2.gz BQNRODRQDBOUON-CYBMUJFWSA-N 0 3 307.459 3.457 20 30 DGEDHN COc1ccc(OC)c(CCNCc2ccc(C#N)cc2F)c1 ZINC000269426710 432173050 /nfs/dbraw/zinc/17/30/50/432173050.db2.gz NRWZJSHSCZUUHH-UHFFFAOYSA-N 0 3 314.360 3.047 20 30 DGEDHN Cn1cc(CNCc2ccc(OC(F)(F)F)cc2)cc1C#N ZINC000190714065 432183877 /nfs/dbraw/zinc/18/38/77/432183877.db2.gz BKSPPUQJHCDXTD-UHFFFAOYSA-N 0 3 309.291 3.085 20 30 DGEDHN CC(=O)Nc1cccc([C@H](C)NCCOc2ccccc2C#N)c1 ZINC000182554061 432202228 /nfs/dbraw/zinc/20/22/28/432202228.db2.gz NQBMZYOCRPURTC-AWEZNQCLSA-N 0 3 323.396 3.246 20 30 DGEDHN N#CC(C(=O)c1ccc(F)c(F)c1)c1cnc2ccccc2n1 ZINC000190969620 432207726 /nfs/dbraw/zinc/20/77/26/432207726.db2.gz CFKRRZJXDKEYHE-LLVKDONJSA-N 0 3 309.275 3.398 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000247132094 432205541 /nfs/dbraw/zinc/20/55/41/432205541.db2.gz XFRFBTIYHXOERP-APWZRJJASA-N 0 3 315.461 3.324 20 30 DGEDHN N#CCCCCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000270167006 432228350 /nfs/dbraw/zinc/22/83/50/432228350.db2.gz BUKRBEDTURWUDQ-UHFFFAOYSA-N 0 3 324.215 3.358 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000182697179 432219412 /nfs/dbraw/zinc/21/94/12/432219412.db2.gz SDIWSYSHRZFPTK-QZTJIDSGSA-N 0 3 314.335 3.456 20 30 DGEDHN N#Cc1csc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247291234 432220463 /nfs/dbraw/zinc/22/04/63/432220463.db2.gz ZDHNVVUTPMWOBQ-YOEHRIQHSA-N 0 3 301.459 3.068 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@H](O)C2)c1 ZINC000158788440 228239499 /nfs/dbraw/zinc/23/94/99/228239499.db2.gz LLGSZDVYVQBZPL-IBGZPJMESA-N 0 3 322.408 3.094 20 30 DGEDHN COc1ccc(N2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000172685093 228276832 /nfs/dbraw/zinc/27/68/32/228276832.db2.gz KWFCXOJLCCQIEH-UHFFFAOYSA-N 0 3 301.434 3.147 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(Br)cc2)o1 ZINC000174405855 228290005 /nfs/dbraw/zinc/29/00/05/228290005.db2.gz HTYFXGHVIDFSOQ-UHFFFAOYSA-N 0 3 305.175 3.246 20 30 DGEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCCSCC#N ZINC000175409822 228300835 /nfs/dbraw/zinc/30/08/35/228300835.db2.gz NYRMYMDQDBTZPQ-ZUOKHONESA-N 0 3 310.488 3.064 20 30 DGEDHN Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(OCCN(C)C)c1 ZINC000185748058 228396880 /nfs/dbraw/zinc/39/68/80/228396880.db2.gz UNJDBSNSTBHSPF-JKSUJKDBSA-N 0 3 301.434 3.430 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(O[C@H]2CCOC2)c1 ZINC000185857383 228399222 /nfs/dbraw/zinc/39/92/22/228399222.db2.gz YMGJIIUCYATJGM-JQHSSLGASA-N 0 3 314.429 3.335 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(O[C@@H]2CCOC2)c1 ZINC000185857366 228399335 /nfs/dbraw/zinc/39/93/35/228399335.db2.gz YMGJIIUCYATJGM-CGTJXYLNSA-N 0 3 314.429 3.335 20 30 DGEDHN Cc1cc([C@H]2CCCN2CCCC2(C#N)CCOCC2)on1 ZINC000331643978 229032194 /nfs/dbraw/zinc/03/21/94/229032194.db2.gz SKOMPQFZMPCYAD-OAHLLOKOSA-N 0 3 303.406 3.221 20 30 DGEDHN CN(C(=O)c1ccc(CN2CCCCC2)cc1)C1(C#N)CCC1 ZINC000342110705 229108420 /nfs/dbraw/zinc/10/84/20/229108420.db2.gz JYTGAUBSOLOPSH-UHFFFAOYSA-N 0 3 311.429 3.191 20 30 DGEDHN CN(C)Cc1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000343020735 229121153 /nfs/dbraw/zinc/12/11/53/229121153.db2.gz WPLKUOWJFPDBMF-UHFFFAOYSA-N 0 3 301.434 3.150 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCCC[C@@H]1C ZINC000337382620 229047910 /nfs/dbraw/zinc/04/79/10/229047910.db2.gz VLBVODRIPOAJMM-LSDHHAIUSA-N 0 3 314.433 3.137 20 30 DGEDHN N#CCCOCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000339024807 229073511 /nfs/dbraw/zinc/07/35/11/229073511.db2.gz SCQVTNYVYOQUHA-CQSZACIVSA-N 0 3 319.474 3.132 20 30 DGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000339067474 229073999 /nfs/dbraw/zinc/07/39/99/229073999.db2.gz KLZDZDSEOOOKMN-GDZNZVCISA-N 0 3 312.417 3.313 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](OCc3ccccc3F)C2)C1 ZINC000339141311 229074864 /nfs/dbraw/zinc/07/48/64/229074864.db2.gz OTOMLFIPBUPSSN-OIISXLGYSA-N 0 3 302.393 3.499 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](OCc3ccccc3F)C2)C1 ZINC000339141285 229074913 /nfs/dbraw/zinc/07/49/13/229074913.db2.gz OTOMLFIPBUPSSN-DJIMGWMZSA-N 0 3 302.393 3.499 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC(C)(C)C ZINC000339257673 229077859 /nfs/dbraw/zinc/07/78/59/229077859.db2.gz ZQHOACBQEIAPCE-OAHLLOKOSA-N 0 3 301.434 3.300 20 30 DGEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000340251085 229087876 /nfs/dbraw/zinc/08/78/76/229087876.db2.gz MSKPQQXWKGVVFQ-AWEZNQCLSA-N 0 3 314.433 3.046 20 30 DGEDHN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000344550668 229138021 /nfs/dbraw/zinc/13/80/21/229138021.db2.gz KOPUQZCAAACNTJ-LBPRGKRZSA-N 0 3 324.271 3.100 20 30 DGEDHN CC(C#N)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000347062847 229180213 /nfs/dbraw/zinc/18/02/13/229180213.db2.gz GZRFTULJALWCNR-WDEREUQCSA-N 0 3 309.207 3.046 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000348007590 229195167 /nfs/dbraw/zinc/19/51/67/229195167.db2.gz WEMAURVYVBLFRL-MJGOQNOKSA-N 0 3 315.376 3.044 20 30 DGEDHN N#CC(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccncn1 ZINC000354458699 229295979 /nfs/dbraw/zinc/29/59/79/229295979.db2.gz CKIWKAFVRQNIEM-MRXNPFEDSA-N 0 3 316.320 3.154 20 30 DGEDHN CC(C#N)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000356649785 229339194 /nfs/dbraw/zinc/33/91/94/229339194.db2.gz WKCMIFVAFQSSHK-LLVKDONJSA-N 0 3 321.218 3.347 20 30 DGEDHN CC(C#N)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000358694381 229364550 /nfs/dbraw/zinc/36/45/50/229364550.db2.gz QHLAQVDIAWEGIR-JTQLQIEISA-N 0 3 311.366 3.332 20 30 DGEDHN N#Cc1cnc(NC[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000413023216 230113946 /nfs/dbraw/zinc/11/39/46/230113946.db2.gz AAXJRAWNLVXWEE-AWEZNQCLSA-N 0 3 316.405 3.403 20 30 DGEDHN Cc1ccc([C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000302218115 230173259 /nfs/dbraw/zinc/17/32/59/230173259.db2.gz QJQCJHDCKXSJTB-SFHVURJKSA-N 0 3 324.384 3.490 20 30 DGEDHN CCN(CCCN(C)Cc1cccc(C#N)c1)CC(F)(F)F ZINC000347352120 264204558 /nfs/dbraw/zinc/20/45/58/264204558.db2.gz SBKOGBXHENEWIW-UHFFFAOYSA-N 0 3 313.367 3.264 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CNC2(CO)CCC2)c1 ZINC000347645750 264259022 /nfs/dbraw/zinc/25/90/22/264259022.db2.gz GDGMZRSKDMHBFS-UHFFFAOYSA-N 0 3 322.408 3.142 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000110106866 270003494 /nfs/dbraw/zinc/00/34/94/270003494.db2.gz VYSKNBNENNGZEM-UHFFFAOYSA-N 0 3 303.365 3.032 20 30 DGEDHN CC[C@H](C)NC(=O)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360658916 270004517 /nfs/dbraw/zinc/00/45/17/270004517.db2.gz WIQRCKVFDNQBEX-KBXCAEBGSA-N 0 3 313.445 3.220 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOCC(F)(F)F ZINC000360664503 270004576 /nfs/dbraw/zinc/00/45/76/270004576.db2.gz QHGIMLDCBWJRCI-HNNXBMFYSA-N 0 3 312.335 3.494 20 30 DGEDHN COCCCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000352922185 265229910 /nfs/dbraw/zinc/22/99/10/265229910.db2.gz PENDCJDQZLTSGU-UHFFFAOYSA-N 0 3 316.426 3.325 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247457041 432231121 /nfs/dbraw/zinc/23/11/21/432231121.db2.gz PIUDZZHSZYGKTO-NVXWUHKLSA-N 0 3 305.393 3.048 20 30 DGEDHN CC(C)N(Cc1c[nH]c2nccnc12)Cc1ccc(C#N)cc1 ZINC000356066819 266273919 /nfs/dbraw/zinc/27/39/19/266273919.db2.gz QKZSFXDBVQASBR-UHFFFAOYSA-N 0 3 305.385 3.192 20 30 DGEDHN CCOC[C@H](NCc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000348441357 266284785 /nfs/dbraw/zinc/28/47/85/266284785.db2.gz LEGOQRHSLPWMCU-AWEZNQCLSA-N 0 3 312.360 3.310 20 30 DGEDHN CCOC[C@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359861122 266285597 /nfs/dbraw/zinc/28/55/97/266285597.db2.gz NOHXPFGOCWKPOE-MGPUTAFESA-N 0 3 324.424 3.273 20 30 DGEDHN CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)N(CC)CC ZINC000359588974 266350259 /nfs/dbraw/zinc/35/02/59/266350259.db2.gz GDOYIICNQSHAPC-SFHVURJKSA-N 0 3 315.461 3.416 20 30 DGEDHN CC[C@H](CO)N(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000348176350 266399704 /nfs/dbraw/zinc/39/97/04/266399704.db2.gz UUGZDVFIYYGXOY-MRXNPFEDSA-N 0 3 300.427 3.393 20 30 DGEDHN CC[C@H](CO)N(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000348176902 266399934 /nfs/dbraw/zinc/39/99/34/266399934.db2.gz WLBGXRLIKQTQJP-LJQANCHMSA-N 0 3 324.424 3.340 20 30 DGEDHN CCc1cnccc1[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000361138338 266446944 /nfs/dbraw/zinc/44/69/44/266446944.db2.gz ZUVKDCSPZVPACN-AWEZNQCLSA-N 0 3 322.412 3.195 20 30 DGEDHN CN(C)CCN(Cc1ccc(Cl)o1)Cc1ccc(C#N)cc1 ZINC000348904363 266498494 /nfs/dbraw/zinc/49/84/94/266498494.db2.gz LMSICOBQKRFNJF-UHFFFAOYSA-N 0 3 317.820 3.368 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1cccs1 ZINC000357326639 266510546 /nfs/dbraw/zinc/51/05/46/266510546.db2.gz GZBHQBAMYXSEIV-AWEZNQCLSA-N 0 3 316.386 3.243 20 30 DGEDHN CN(CCNc1c(C#N)cnc2ccccc21)Cc1ccccc1 ZINC000360964980 266543769 /nfs/dbraw/zinc/54/37/69/266543769.db2.gz ZKUZXANCYSYEMC-UHFFFAOYSA-N 0 3 316.408 3.072 20 30 DGEDHN N#Cc1cnc(N[C@@H]2CCN(CC3CCCC3)C2)c(Cl)c1 ZINC000172784795 432235559 /nfs/dbraw/zinc/23/55/59/432235559.db2.gz XHQOJVXTVQYHER-CQSZACIVSA-N 0 3 304.825 3.283 20 30 DGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc(F)cc2C#N)C1 ZINC000362231170 267009062 /nfs/dbraw/zinc/00/90/62/267009062.db2.gz ZPNNWMAYKFVEQT-FZKQIMNGSA-N 0 3 304.409 3.364 20 30 DGEDHN C[C@@H]1CCN(C)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356223565 267021671 /nfs/dbraw/zinc/02/16/71/267021671.db2.gz RZLNQVDMFTZXDI-GFCCVEGCSA-N 0 3 311.351 3.103 20 30 DGEDHN C[C@@H]1C[C@@H](Nc2cccnc2C#N)CCN1Cc1ccccc1 ZINC000368117602 267081605 /nfs/dbraw/zinc/08/16/05/267081605.db2.gz YUIBIXSAGFRCDD-WBVHZDCISA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352797623 267116143 /nfs/dbraw/zinc/11/61/43/267116143.db2.gz MFDCIISPKFKMIS-CABCVRRESA-N 0 3 312.335 3.218 20 30 DGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(C#N)ccc1Cl ZINC000350099514 267154516 /nfs/dbraw/zinc/15/45/16/267154516.db2.gz PPAXFVXSNYMJNJ-QWHCGFSZSA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000357268068 267163409 /nfs/dbraw/zinc/16/34/09/267163409.db2.gz XTSUTUDAVRIKRI-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN CC[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000527997657 267223472 /nfs/dbraw/zinc/22/34/72/267223472.db2.gz JHRAQVQPGOMFJT-WMZOPIPTSA-N 0 3 305.381 3.162 20 30 DGEDHN COC(=O)CCC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000527482117 267360022 /nfs/dbraw/zinc/36/00/22/267360022.db2.gz JLRHJKABEZFCHO-CQSZACIVSA-N 0 3 300.402 3.284 20 30 DGEDHN CC1=CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000270377763 432238920 /nfs/dbraw/zinc/23/89/20/432238920.db2.gz VKOJGMTVELPUCW-UHFFFAOYSA-N 0 3 315.442 3.089 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN(CC3CC3)C3CCC3)o2)cc1 ZINC000366728699 268029140 /nfs/dbraw/zinc/02/91/40/268029140.db2.gz JLRUSDWLRZFATJ-UHFFFAOYSA-N 0 3 308.385 3.373 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCCCC[C@H]2O)c(C(F)(F)F)c1 ZINC000356300137 268076680 /nfs/dbraw/zinc/07/66/80/268076680.db2.gz JCUBRUNEWMCATP-LSDHHAIUSA-N 0 3 312.335 3.360 20 30 DGEDHN N#Cc1cc2c(nc1N1CCN(CC3CCCCC3)CC1)CCC2 ZINC000520831480 268193893 /nfs/dbraw/zinc/19/38/93/268193893.db2.gz FTHIXWLGPCSEBV-UHFFFAOYSA-N 0 3 324.472 3.144 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H](O)CCc1ccccc1)CC2 ZINC000353657312 268223182 /nfs/dbraw/zinc/22/31/82/268223182.db2.gz JAPNVGILLRHLLN-AZUAARDMSA-N 0 3 306.409 3.129 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCOCC(F)(F)C(F)F)CC2 ZINC000353596208 268223222 /nfs/dbraw/zinc/22/32/22/268223222.db2.gz MPMGUJPARPSFGD-CYBMUJFWSA-N 0 3 316.298 3.052 20 30 DGEDHN N#Cc1ccc(CNC2(c3ccccc3)CCOCC2)cc1F ZINC000521724884 268232039 /nfs/dbraw/zinc/23/20/39/268232039.db2.gz HPQGHZLOCBBUOZ-UHFFFAOYSA-N 0 3 310.372 3.493 20 30 DGEDHN C[C@H](CC(=O)Nc1cccc(F)c1)NCc1cccc(C#N)c1 ZINC000151367823 432240955 /nfs/dbraw/zinc/24/09/55/432240955.db2.gz RKPQTOOLVHZJJL-CYBMUJFWSA-N 0 3 311.360 3.204 20 30 DGEDHN CC1(C)CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000191305942 432248441 /nfs/dbraw/zinc/24/84/41/432248441.db2.gz HKKVFAKVWHUFJO-CQSZACIVSA-N 0 3 305.809 3.318 20 30 DGEDHN COc1cc(CN(CCO)[C@H]2CCc3ccccc32)ccc1C#N ZINC000282330471 274093216 /nfs/dbraw/zinc/09/32/16/274093216.db2.gz OCNHFQYLCFCOKF-IBGZPJMESA-N 0 3 322.408 3.049 20 30 DGEDHN N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H](N2CC=CC2)C1 ZINC000266258468 274930179 /nfs/dbraw/zinc/93/01/79/274930179.db2.gz OLJZYDWZNUZXAV-OAHLLOKOSA-N 0 3 324.815 3.210 20 30 DGEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000412044409 275054054 /nfs/dbraw/zinc/05/40/54/275054054.db2.gz LUOGWYYHQRFHIL-HLLBOEOZSA-N 0 3 323.358 3.150 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000438636874 276363842 /nfs/dbraw/zinc/36/38/42/276363842.db2.gz MHFYFUJGMRNORS-ROUUACIJSA-N 0 3 301.405 3.457 20 30 DGEDHN C=C(C)CN1CCC(Nc2nccnc2O[C@@H](C)CC)CC1 ZINC000527878075 429812574 /nfs/dbraw/zinc/81/25/74/429812574.db2.gz BRCPHOQOUZNLQH-AWEZNQCLSA-N 0 3 304.438 3.106 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000179658737 276775783 /nfs/dbraw/zinc/77/57/83/276775783.db2.gz OZAWQMOLVPFZRX-OAHLLOKOSA-N 0 3 304.459 3.195 20 30 DGEDHN C=CCC(C)(C)CN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000419177573 276882055 /nfs/dbraw/zinc/88/20/55/276882055.db2.gz DOQAKCBZPCXLPY-MRXNPFEDSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000271469291 276888486 /nfs/dbraw/zinc/88/84/86/276888486.db2.gz QUDSNCTYQGQGCQ-SFHVURJKSA-N 0 3 313.445 3.184 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C)c1ccccc1 ZINC000288191238 277885028 /nfs/dbraw/zinc/88/50/28/277885028.db2.gz CBMNAIZWVFOHGN-NEWSRXKRSA-N 0 3 312.457 3.432 20 30 DGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC(C)(C)C#N)cc1 ZINC000418364080 278045269 /nfs/dbraw/zinc/04/52/69/278045269.db2.gz WFFLBONNWHXRSM-INIZCTEOSA-N 0 3 316.449 3.001 20 30 DGEDHN CC1(C)CCC(C)(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000419315178 278194716 /nfs/dbraw/zinc/19/47/16/278194716.db2.gz JJMXUXCUKDXQNT-INIZCTEOSA-N 0 3 313.445 3.281 20 30 DGEDHN CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424184466 278286978 /nfs/dbraw/zinc/28/69/78/278286978.db2.gz MHWVFZRVPFPWBH-IAGOWNOFSA-N 0 3 313.445 3.228 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2CCCCC#N)C1 ZINC000370606124 278393287 /nfs/dbraw/zinc/39/32/87/278393287.db2.gz HRNKVUDRTATKHU-QGZVFWFLSA-N 0 3 307.438 3.156 20 30 DGEDHN CCN(CC)C(=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000048710342 279083793 /nfs/dbraw/zinc/08/37/93/279083793.db2.gz SYWAHYLORMKXNS-UHFFFAOYSA-N 0 3 321.424 3.330 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC000111257452 431203419 /nfs/dbraw/zinc/20/34/19/431203419.db2.gz JORHDWCIOJERST-OAHLLOKOSA-N 0 3 316.445 3.113 20 30 DGEDHN C=CC1CCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000111257610 431206057 /nfs/dbraw/zinc/20/60/57/431206057.db2.gz MGLPKOFLXJXCDH-QGZVFWFLSA-N 0 3 302.418 3.310 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000111644925 431227553 /nfs/dbraw/zinc/22/75/53/431227553.db2.gz BCMGXNNTHOIRQT-JYJNAYRXSA-N 0 3 316.445 3.129 20 30 DGEDHN CCSc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543447 431280681 /nfs/dbraw/zinc/28/06/81/431280681.db2.gz YEWXGPMZVGKGHU-UONOGXRCSA-N 0 3 319.474 3.210 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(SCC)c2)CC1 ZINC000071020024 431269141 /nfs/dbraw/zinc/26/91/41/431269141.db2.gz KWWSFPOSNSGLJM-UHFFFAOYSA-N 0 3 302.443 3.082 20 30 DGEDHN C=CCc1cc(CNCc2cccc(C#N)c2)cc(OC)c1O ZINC000113320392 431342155 /nfs/dbraw/zinc/34/21/55/431342155.db2.gz AZBGHVNPRPPDQV-UHFFFAOYSA-N 0 3 308.381 3.291 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)c1oc2ccccc2c1CN(C)C ZINC000114172253 431374804 /nfs/dbraw/zinc/37/48/04/431374804.db2.gz WNXYLMMUTLMUOH-ZDUSSCGKSA-N 0 3 313.401 3.116 20 30 DGEDHN COc1ccc([C@H]2CCCN2CCCSCC#N)c(OC)c1 ZINC000074980746 431445545 /nfs/dbraw/zinc/44/55/45/431445545.db2.gz QDNDCEMECCNZHL-MRXNPFEDSA-N 0 3 320.458 3.488 20 30 DGEDHN N#Cc1cc(Br)ccc1OCCN1CCCCC1 ZINC000011961724 431486929 /nfs/dbraw/zinc/48/69/29/431486929.db2.gz DXICQIWHQZTFSK-UHFFFAOYSA-N 0 3 309.207 3.185 20 30 DGEDHN N#Cc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000075801993 431500536 /nfs/dbraw/zinc/50/05/36/431500536.db2.gz GFMHIWOORBSGPW-FQEVSTJZSA-N 0 3 305.425 3.485 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116960511 431539978 /nfs/dbraw/zinc/53/99/78/431539978.db2.gz PQJVUSRUNQJGHQ-HOTGVXAUSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000116972224 431541247 /nfs/dbraw/zinc/54/12/47/431541247.db2.gz BUWOUHAAPLMEOD-NVXWUHKLSA-N 0 3 301.434 3.087 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000462460349 280101540 /nfs/dbraw/zinc/10/15/40/280101540.db2.gz RTAYSAUCLYNYLN-FUHWJXTLSA-N 0 3 319.493 3.333 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000178565476 280202997 /nfs/dbraw/zinc/20/29/97/280202997.db2.gz UZYLLZLUDOGTML-CQSZACIVSA-N 0 3 314.433 3.109 20 30 DGEDHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCC(C)(C#N)CC1 ZINC000497051415 280248886 /nfs/dbraw/zinc/24/88/86/280248886.db2.gz BPIQGLRVVKDPJL-OAHLLOKOSA-N 0 3 323.481 3.409 20 30 DGEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000014903573 431598440 /nfs/dbraw/zinc/59/84/40/431598440.db2.gz YQOZJGVVWNGHKG-IBGZPJMESA-N 0 3 321.424 3.371 20 30 DGEDHN CC(C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000077357233 431586480 /nfs/dbraw/zinc/58/64/80/431586480.db2.gz MBOSYVQSIPNLOC-UHFFFAOYSA-N 0 3 305.809 3.413 20 30 DGEDHN CC(C)(C)OC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000118954641 431627662 /nfs/dbraw/zinc/62/76/62/431627662.db2.gz LSJAQAFMELZZFV-UHFFFAOYSA-N 0 3 302.418 3.217 20 30 DGEDHN CCCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC1CC1 ZINC000078664832 431693975 /nfs/dbraw/zinc/69/39/75/431693975.db2.gz AOIQTFQKQGNEIF-UHFFFAOYSA-N 0 3 305.447 3.297 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)oc1C)C(C)C ZINC000120283214 431724478 /nfs/dbraw/zinc/72/44/78/431724478.db2.gz BCMCGFZQOXWRTO-KRWDZBQOSA-N 0 3 304.434 3.325 20 30 DGEDHN C=CCOCCCC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000079502387 431727130 /nfs/dbraw/zinc/72/71/30/431727130.db2.gz LROBSPWEEQOYFY-UHFFFAOYSA-N 0 3 304.434 3.450 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121241825 431759516 /nfs/dbraw/zinc/75/95/16/431759516.db2.gz DWTUMNSOQJUTCG-KRWDZBQOSA-N 0 3 309.413 3.191 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 ZINC000121252721 431761341 /nfs/dbraw/zinc/76/13/41/431761341.db2.gz IWKHHNFTGYGNQF-HZPDHXFCSA-N 0 3 318.486 3.317 20 30 DGEDHN CC#CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000120059968 431721278 /nfs/dbraw/zinc/72/12/78/431721278.db2.gz CSGMDYJLZVIRQI-UHFFFAOYSA-N 0 3 308.784 3.153 20 30 DGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)C2(C#N)CCC2)CC1 ZINC000121505439 431794645 /nfs/dbraw/zinc/79/46/45/431794645.db2.gz LWAQXPMITRUMRO-OAHLLOKOSA-N 0 3 311.429 3.022 20 30 DGEDHN CC(C)CCO[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000083248012 431809942 /nfs/dbraw/zinc/80/99/42/431809942.db2.gz FGUYFRZGJPOKGI-GOSISDBHSA-N 0 3 302.418 3.074 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(C(C)(C)C)c1 ZINC000123059310 431853264 /nfs/dbraw/zinc/85/32/64/431853264.db2.gz SJSSFLCGKUVEPX-ZDUSSCGKSA-N 0 3 321.384 3.015 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)o1)c1nc(-c2ccccc2)no1 ZINC000123387610 431863467 /nfs/dbraw/zinc/86/34/67/431863467.db2.gz FIGILLMNRDZRBD-GFCCVEGCSA-N 0 3 308.341 3.095 20 30 DGEDHN CC(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)=Nn1cnnc1 ZINC000493935059 280811984 /nfs/dbraw/zinc/81/19/84/280811984.db2.gz NBUWKYWAEJYXTF-AWEZNQCLSA-N 0 3 321.425 3.072 20 30 DGEDHN C=CCC[C@H](O)CNC1(c2ccc(Br)cc2)CC1 ZINC000124886643 431907631 /nfs/dbraw/zinc/90/76/31/431907631.db2.gz DNHADOOATQSIJT-AWEZNQCLSA-N 0 3 310.235 3.355 20 30 DGEDHN C[C@H]1SCCN(Cc2ccc(N(C)CCC#N)cc2)[C@@H]1C ZINC000093501208 431916458 /nfs/dbraw/zinc/91/64/58/431916458.db2.gz PVPMHNSOXPQHMP-HUUCEWRRSA-N 0 3 303.475 3.362 20 30 DGEDHN C=CCc1cc(CN2CCC[C@H]2CSC)cc(OC)c1O ZINC000093760970 431917056 /nfs/dbraw/zinc/91/70/56/431917056.db2.gz OFKYTKFHKCTUOO-HNNXBMFYSA-N 0 3 307.459 3.457 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@@H](C)C(=O)OC)cc1Cl ZINC000091985129 431906455 /nfs/dbraw/zinc/90/64/55/431906455.db2.gz JRGPKEQODFMFHB-GFCCVEGCSA-N 0 3 311.809 3.146 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000091960596 431906561 /nfs/dbraw/zinc/90/65/61/431906561.db2.gz KXQDDERELDYXHD-PXNSSMCTSA-N 0 3 323.440 3.368 20 30 DGEDHN COc1cccc(C(=O)C(C#N)c2ccccn2)c1OC(F)F ZINC000049456931 431940095 /nfs/dbraw/zinc/94/00/95/431940095.db2.gz RMEJCUZTKYICHE-NSHDSACASA-N 0 3 318.279 3.182 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@@H](O)c2ccccc2F)C1 ZINC000126113576 431942947 /nfs/dbraw/zinc/94/29/47/431942947.db2.gz HKOZRVJSFQTSQQ-ZCDLSOSASA-N 0 3 310.372 3.073 20 30 DGEDHN CN(CCC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000051401103 431950971 /nfs/dbraw/zinc/95/09/71/431950971.db2.gz PLKVVNNPZSGCNM-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCCCC1 ZINC000097056235 431958806 /nfs/dbraw/zinc/95/88/06/431958806.db2.gz YOKJXHPDHJPVTR-UPTPFMHGSA-N 0 3 305.466 3.182 20 30 DGEDHN CC[C@@H](C)N(CC(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000101546300 431985542 /nfs/dbraw/zinc/98/55/42/431985542.db2.gz XXAHUKSNWDKLON-MRXNPFEDSA-N 0 3 301.434 3.049 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@H]1Oc1ccccc1 ZINC000248582607 432303111 /nfs/dbraw/zinc/30/31/11/432303111.db2.gz WMWNPUQIEGFEMS-XUVXKRRUSA-N 0 3 322.408 3.273 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000248159914 432271949 /nfs/dbraw/zinc/27/19/49/432271949.db2.gz RZDZCOYOLVGZQV-VHKYSDTDSA-N 0 3 307.393 3.008 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1cc(C#N)cs1 ZINC000248399844 432284972 /nfs/dbraw/zinc/28/49/72/432284972.db2.gz WHGCXDCIQKTTOK-RDTXWAMCSA-N 0 3 311.454 3.230 20 30 DGEDHN CCOC(=O)[C@@](C)(CNCc1cccc(C#N)c1)c1ccccc1 ZINC000191636143 432285963 /nfs/dbraw/zinc/28/59/63/432285963.db2.gz JSALPORGUQMHAJ-FQEVSTJZSA-N 0 3 322.408 3.169 20 30 DGEDHN CC(C)(CCC#N)CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000191680348 432290456 /nfs/dbraw/zinc/29/04/56/432290456.db2.gz HSEWDVXVOXEFMC-UHFFFAOYSA-N 0 3 305.397 3.394 20 30 DGEDHN C=CCN(CCOC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000191764076 432299836 /nfs/dbraw/zinc/29/98/36/432299836.db2.gz FVYJCTWBZXCBIR-UHFFFAOYSA-N 0 3 303.324 3.262 20 30 DGEDHN N#Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000102831145 431998582 /nfs/dbraw/zinc/99/85/82/431998582.db2.gz UNIGTHLBEVOGJU-SFHVURJKSA-N 0 3 319.408 3.409 20 30 DGEDHN CC[C@@H](C)[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000183140725 432261941 /nfs/dbraw/zinc/26/19/41/432261941.db2.gz TVCSZYALBCHBQD-CVEARBPZSA-N 0 3 315.461 3.131 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000248777760 432317825 /nfs/dbraw/zinc/31/78/25/432317825.db2.gz HSHVCINCJWNZTN-INWMFGNUSA-N 0 3 317.820 3.117 20 30 DGEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271047494 432321189 /nfs/dbraw/zinc/32/11/89/432321189.db2.gz RQUXCYVIFKMOHW-MRXNPFEDSA-N 0 3 311.454 3.326 20 30 DGEDHN C#CCN1CCC(C(=O)NC2(Cc3ccccc3)CCCC2)CC1 ZINC000183763833 432324217 /nfs/dbraw/zinc/32/42/17/432324217.db2.gz FJDZNJJTRXHZCW-UHFFFAOYSA-N 0 3 324.468 3.003 20 30 DGEDHN N#Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1F ZINC000192059026 432328516 /nfs/dbraw/zinc/32/85/16/432328516.db2.gz KJZIEWCJUWLECD-IBGZPJMESA-N 0 3 310.372 3.179 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000248924174 432329197 /nfs/dbraw/zinc/32/91/97/432329197.db2.gz LHVQKONCNPUEMH-LJHODMEESA-N 0 3 323.440 3.095 20 30 DGEDHN CCc1noc(-c2ccc(CCNCc3ccc(C#N)o3)cc2)n1 ZINC000174357965 432340457 /nfs/dbraw/zinc/34/04/57/432340457.db2.gz GOYUFMGOOMRGAN-UHFFFAOYSA-N 0 3 322.368 3.096 20 30 DGEDHN CC(C)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000173861965 432305185 /nfs/dbraw/zinc/30/51/85/432305185.db2.gz BDVWQORXQBQGQV-UHFFFAOYSA-N 0 3 305.447 3.316 20 30 DGEDHN CC[C@H](NCc1cc(C#N)ccc1Br)[C@H]1CCCO1 ZINC000191825253 432306121 /nfs/dbraw/zinc/30/61/21/432306121.db2.gz PPUHXBQEFFKKEM-LSDHHAIUSA-N 0 3 323.234 3.368 20 30 DGEDHN C[C@@H](NCCNC(=O)CC1CCCCC1)c1ccc(C#N)cc1 ZINC000174032200 432315384 /nfs/dbraw/zinc/31/53/84/432315384.db2.gz XUSJVHCJNSPWCF-OAHLLOKOSA-N 0 3 313.445 3.295 20 30 DGEDHN CC(C)CN(CCC(=O)N(C)CCC#N)Cc1ccccc1F ZINC000271489788 432406875 /nfs/dbraw/zinc/40/68/75/432406875.db2.gz FFYDYEAPCZHLEI-UHFFFAOYSA-N 0 3 319.424 3.046 20 30 DGEDHN C[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271924268 432428717 /nfs/dbraw/zinc/42/87/17/432428717.db2.gz FYNMFHBCYFTPRT-DJJJIMSYSA-N 0 3 310.372 3.182 20 30 DGEDHN C[C@@]1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193062602 432443369 /nfs/dbraw/zinc/44/33/69/432443369.db2.gz PDVYSTYQRTWDDN-HXUWFJFHSA-N 0 3 320.436 3.343 20 30 DGEDHN CC(C)CCOC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000193117098 432450054 /nfs/dbraw/zinc/45/00/54/432450054.db2.gz KNZPGXPVTCRZNW-UHFFFAOYSA-N 0 3 316.445 3.464 20 30 DGEDHN Cc1cc(SCCN(C)C)n2c3ccccc3nc2c1C#N ZINC000255926675 432414284 /nfs/dbraw/zinc/41/42/84/432414284.db2.gz WKYIVURZQFCARS-UHFFFAOYSA-N 0 3 310.426 3.321 20 30 DGEDHN Cc1ccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)c(C)c1 ZINC000271752562 432425327 /nfs/dbraw/zinc/42/53/27/432425327.db2.gz KZCNYIUHTIEPDL-INIZCTEOSA-N 0 3 313.445 3.297 20 30 DGEDHN N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC000271872386 432426388 /nfs/dbraw/zinc/42/63/88/432426388.db2.gz MYJXTENVWKAOLE-UHFFFAOYSA-N 0 3 321.424 3.018 20 30 DGEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000272499275 432512437 /nfs/dbraw/zinc/51/24/37/432512437.db2.gz DHOOIWWZQLNCRY-UHFFFAOYSA-N 0 3 323.799 3.433 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)c(C)s2)cc1 ZINC000155649234 432565274 /nfs/dbraw/zinc/56/52/74/432565274.db2.gz ULQBPWOAIMZFOO-CYBMUJFWSA-N 0 3 301.371 3.014 20 30 DGEDHN C=CCN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263647819 432561111 /nfs/dbraw/zinc/56/11/11/432561111.db2.gz AWKWAJCNSPJQLG-UHFFFAOYSA-N 0 3 323.234 3.286 20 30 DGEDHN C=CCN(CC=C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154647595 432513585 /nfs/dbraw/zinc/51/35/85/432513585.db2.gz LKUHQXYCTBZVED-UHFFFAOYSA-N 0 3 317.433 3.141 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272551448 432522870 /nfs/dbraw/zinc/52/28/70/432522870.db2.gz IKTCKUYBUREYTR-AWEZNQCLSA-N 0 3 314.433 3.061 20 30 DGEDHN CN(CCCNCc1ccc(C#N)s1)c1ccccc1F ZINC000176953171 432569075 /nfs/dbraw/zinc/56/90/75/432569075.db2.gz NCFVEQQDBFRAAB-UHFFFAOYSA-N 0 3 303.406 3.375 20 30 DGEDHN Cc1csc(NC(=O)C(C#N)c2nc(C(C)C)cs2)n1 ZINC000155756667 432571279 /nfs/dbraw/zinc/57/12/79/432571279.db2.gz ZPKDZTJIDHLRMB-VIFPVBQESA-N 0 3 306.416 3.277 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC000176966000 432571384 /nfs/dbraw/zinc/57/13/84/432571384.db2.gz SEHWMIVVTMRCAC-LBPRGKRZSA-N 0 3 321.446 3.109 20 30 DGEDHN COc1cc(CNCc2ccc(C#N)s2)c2ccccc2n1 ZINC000176977022 432572628 /nfs/dbraw/zinc/57/26/28/432572628.db2.gz RNKTXPGSIOGQAL-UHFFFAOYSA-N 0 3 309.394 3.466 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1CCCO[C@H]1CC(C)C ZINC000186378588 432590202 /nfs/dbraw/zinc/59/02/02/432590202.db2.gz PQJKZWYYEHMUPA-WMZOPIPTSA-N 0 3 302.418 3.250 20 30 DGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000264214219 432625989 /nfs/dbraw/zinc/62/59/89/432625989.db2.gz TVHVPXYHHAMTHG-FQEVSTJZSA-N 0 3 322.408 3.135 20 30 DGEDHN N#CCCN(C(=O)CN1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000177537913 432634297 /nfs/dbraw/zinc/63/42/97/432634297.db2.gz LTNJKQVMNUOCMY-CALCHBBNSA-N 0 3 311.429 3.055 20 30 DGEDHN COc1ccccc1[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000157976423 432634609 /nfs/dbraw/zinc/63/46/09/432634609.db2.gz PKQVUSDPRYWJSP-QGZVFWFLSA-N 0 3 322.408 3.435 20 30 DGEDHN COc1ccccc1[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000158015339 432636503 /nfs/dbraw/zinc/63/65/03/432636503.db2.gz CYPJOFZTKUOSSA-QGZVFWFLSA-N 0 3 322.408 3.435 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000177571130 432637526 /nfs/dbraw/zinc/63/75/26/432637526.db2.gz JDXQXJKZEGXBPX-IYBDPMFKSA-N 0 3 308.385 3.230 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000264352138 432638112 /nfs/dbraw/zinc/63/81/12/432638112.db2.gz FPYCKMJCWNWRIQ-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN N#CCCCOc1cccc(CN(CCO)Cc2ccccc2)c1 ZINC000158307272 432641791 /nfs/dbraw/zinc/64/17/91/432641791.db2.gz ZLKHRLCXELNXOM-UHFFFAOYSA-N 0 3 324.424 3.364 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000264401286 432642489 /nfs/dbraw/zinc/64/24/89/432642489.db2.gz ZNSSQYUFMVULMI-MRXNPFEDSA-N 0 3 319.474 3.245 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000264417117 432644452 /nfs/dbraw/zinc/64/44/52/432644452.db2.gz VSLHCQZLIWOLBD-GOSISDBHSA-N 0 3 313.445 3.014 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cc(C#N)cs1 ZINC000177698352 432651854 /nfs/dbraw/zinc/65/18/54/432651854.db2.gz YKXIEQJAZXRDLW-ZDUSSCGKSA-N 0 3 321.446 3.109 20 30 DGEDHN N#Cc1csc(CNCCc2nc3c(s2)CCCC3)c1 ZINC000177700306 432652808 /nfs/dbraw/zinc/65/28/08/432652808.db2.gz QWCMXLXCEOBWDA-UHFFFAOYSA-N 0 3 303.456 3.287 20 30 DGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)N(C)C ZINC000264535128 432655805 /nfs/dbraw/zinc/65/58/05/432655805.db2.gz KZEAGSBBWGUWEK-OLZOCXBDSA-N 0 3 320.462 3.010 20 30 DGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)N(C)C ZINC000264530671 432655876 /nfs/dbraw/zinc/65/58/76/432655876.db2.gz ICJMOQHLORKVNC-CHWSQXEVSA-N 0 3 320.462 3.152 20 30 DGEDHN C=CCCCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000177803589 432663811 /nfs/dbraw/zinc/66/38/11/432663811.db2.gz MIGVXXKTMGBMKL-UHFFFAOYSA-N 0 3 301.434 3.488 20 30 DGEDHN CC[C@H](NCCSCc1ccccc1C#N)c1cnn(C)c1 ZINC000177821094 432665009 /nfs/dbraw/zinc/66/50/09/432665009.db2.gz HZFRMXOTABKFAO-KRWDZBQOSA-N 0 3 314.458 3.266 20 30 DGEDHN C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000265105404 432667101 /nfs/dbraw/zinc/66/71/01/432667101.db2.gz AAQSWVCKGYCKRT-KSSFIOAISA-N 0 3 305.381 3.014 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H](C)CC2)CC1 ZINC000188000738 432698779 /nfs/dbraw/zinc/69/87/79/432698779.db2.gz ZTBBXWXCZKPTRZ-HOTGVXAUSA-N 0 3 307.482 3.295 20 30 DGEDHN C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000227684844 432713668 /nfs/dbraw/zinc/71/36/68/432713668.db2.gz PHYSOJUUDPJRID-STQMWFEESA-N 0 3 303.406 3.122 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000188289821 432715976 /nfs/dbraw/zinc/71/59/76/432715976.db2.gz RWGWUQZVUJEWOK-BEFAXECRSA-N 0 3 314.429 3.368 20 30 DGEDHN C=C(C)[C@H](NC[C@H](O)COCC(C)C)c1ccc(F)c(F)c1 ZINC000187762509 432683997 /nfs/dbraw/zinc/68/39/97/432683997.db2.gz AUNZHMLZXQVMHF-YOEHRIQHSA-N 0 3 313.388 3.205 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@](C)(O)c2ccco2)c([O-])c1 ZINC000266001320 432750851 /nfs/dbraw/zinc/75/08/51/432750851.db2.gz OKDNJTCOJZPJBZ-LPGQDOADSA-N 0 3 316.401 3.158 20 30 DGEDHN CN(Cc1ccc(OCC#N)cc1)[C@H](CCO)c1ccccc1 ZINC000266596271 432769005 /nfs/dbraw/zinc/76/90/05/432769005.db2.gz OPZCFNSLXHJDFW-LJQANCHMSA-N 0 3 310.397 3.144 20 30 DGEDHN C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(CN(C)C)cc1 ZINC000161469287 432781038 /nfs/dbraw/zinc/78/10/38/432781038.db2.gz FBCGAQJZQKXTHF-UHFFFAOYSA-N 0 3 324.399 3.163 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000275497217 432727173 /nfs/dbraw/zinc/72/71/73/432727173.db2.gz UNKOAZFGKSWCFO-VXGBXAGGSA-N 0 3 309.360 3.409 20 30 DGEDHN C=CCCOCCNCc1cc(F)cc(Br)c1 ZINC000231821116 432735143 /nfs/dbraw/zinc/73/51/43/432735143.db2.gz RBMGCVFMDZXDFB-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncccc1C#N ZINC000267214853 432823669 /nfs/dbraw/zinc/82/36/69/432823669.db2.gz MNTWLFFUGLSPNT-CRAIPNDOSA-N 0 3 306.413 3.276 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267310174 432831110 /nfs/dbraw/zinc/83/11/10/432831110.db2.gz BXCQIFKTAOCMEG-XYJFISCASA-N 0 3 315.461 3.161 20 30 DGEDHN N#CCOc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000267766185 432837399 /nfs/dbraw/zinc/83/73/99/432837399.db2.gz RMYWMXPQKRRZCY-DLBZAZTESA-N 0 3 302.443 3.449 20 30 DGEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1F ZINC000161636023 432789787 /nfs/dbraw/zinc/78/97/87/432789787.db2.gz PTVIMJXRWAGXTE-CQSZACIVSA-N 0 3 324.403 3.412 20 30 DGEDHN CC(C)(C)c1cnc(CCC(=O)N[C@H]2CCN(C3CC3)C2)o1 ZINC000330157058 432895416 /nfs/dbraw/zinc/89/54/16/432895416.db2.gz PDZSYLCHNPDVST-LBPRGKRZSA-N 0 3 305.422 3.098 20 30 DGEDHN CN(C)CCN(Cc1cccs1)c1ccc(Cl)c(C#N)n1 ZINC000268289476 432861669 /nfs/dbraw/zinc/86/16/69/432861669.db2.gz DCBUSUBRNLMDBK-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN CCn1ccnc1[C@H](N[C@@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000375419369 288735443 /nfs/dbraw/zinc/73/54/43/288735443.db2.gz GRWBIZBSEWUVOS-USXIJHARSA-N 0 3 316.449 3.043 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000278152307 432887743 /nfs/dbraw/zinc/88/77/43/432887743.db2.gz AFNXTZPDFMIJLD-DNVCBOLYSA-N 0 3 321.424 3.304 20 30 DGEDHN Cc1nc(CC(C)C)oc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330001757 432888022 /nfs/dbraw/zinc/88/80/22/432888022.db2.gz ANPIXADHKLHFDO-GFCCVEGCSA-N 0 3 305.422 3.137 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000278152314 432889062 /nfs/dbraw/zinc/88/90/62/432889062.db2.gz AFNXTZPDFMIJLD-KXBFYZLASA-N 0 3 321.424 3.304 20 30 DGEDHN CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000163254999 432848074 /nfs/dbraw/zinc/84/80/74/432848074.db2.gz CKTPMUMTGBZTBH-DZGCQCFKSA-N 0 3 303.406 3.265 20 30 DGEDHN N#Cc1cc(CN(CCO)[C@H]2CCc3ccccc32)ccc1F ZINC000268204154 432855597 /nfs/dbraw/zinc/85/55/97/432855597.db2.gz INGJJZCKPLVBBR-IBGZPJMESA-N 0 3 310.372 3.179 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1C(C)C ZINC000330747387 432925627 /nfs/dbraw/zinc/92/56/27/432925627.db2.gz XBLADLVPCNPVLE-CQSZACIVSA-N 0 3 306.454 3.113 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@H](c2ccncc2)C1 ZINC000289326554 432945287 /nfs/dbraw/zinc/94/52/87/432945287.db2.gz KMXJAHPXRMDOFQ-SFHVURJKSA-N 0 3 307.397 3.212 20 30 DGEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCCC[C@H]1C ZINC000330182431 432896367 /nfs/dbraw/zinc/89/63/67/432896367.db2.gz HFORGQLQQRCPLA-PVAVHDDUSA-N 0 3 318.465 3.396 20 30 DGEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCCC[C@@H]1C ZINC000330182433 432896653 /nfs/dbraw/zinc/89/66/53/432896653.db2.gz HFORGQLQQRCPLA-XIRDDKMYSA-N 0 3 318.465 3.396 20 30 DGEDHN Cc1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330391378 432906517 /nfs/dbraw/zinc/90/65/17/432906517.db2.gz FXWDPOQXRHBJHN-OCCSQVGLSA-N 0 3 319.405 3.328 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc(F)cc1C#N ZINC000288977493 432909077 /nfs/dbraw/zinc/90/90/77/432909077.db2.gz DJGUYBDIZYRKGC-UHFFFAOYSA-N 0 3 318.396 3.037 20 30 DGEDHN C#CCCCc1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000288973358 432909694 /nfs/dbraw/zinc/90/96/94/432909694.db2.gz RADHUWROBIYFRY-CQSZACIVSA-N 0 3 313.382 3.049 20 30 DGEDHN CCn1nc(C)c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1C ZINC000330453638 432909976 /nfs/dbraw/zinc/90/99/76/432909976.db2.gz LTYOCPYWMORSIN-ZDUSSCGKSA-N 0 3 320.481 3.335 20 30 DGEDHN CCc1c(C(=O)NCCN2CCC(C)CC2)cnn1C(C)(C)C ZINC000330536346 432915327 /nfs/dbraw/zinc/91/53/27/432915327.db2.gz SEXYVWCJEVOQLA-UHFFFAOYSA-N 0 3 320.481 3.237 20 30 DGEDHN C#C[C@@H](NCc1ccc(OCc2ccncc2)c(OC)c1)C(C)C ZINC000289081136 432920508 /nfs/dbraw/zinc/92/05/08/432920508.db2.gz AXETWQAOXHCGQQ-GOSISDBHSA-N 0 3 324.424 3.417 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCCC1(C)C ZINC000278960762 432922117 /nfs/dbraw/zinc/92/21/17/432922117.db2.gz AQFUJTHRRADXML-RDJZCZTQSA-N 0 3 319.493 3.413 20 30 DGEDHN C=C[C@@H](CO)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000289630178 432968360 /nfs/dbraw/zinc/96/83/60/432968360.db2.gz FEGKGHQKRUFGSG-FZMZJTMJSA-N 0 3 318.442 3.325 20 30 DGEDHN C#CCOc1ccc(CN(CCCOC)Cc2ccncc2)cc1 ZINC000289569444 432969274 /nfs/dbraw/zinc/96/92/74/432969274.db2.gz ZLSUHEKVGIMNDL-UHFFFAOYSA-N 0 3 324.424 3.132 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000289559928 432969290 /nfs/dbraw/zinc/96/92/90/432969290.db2.gz AHYAUUHFJRDPIA-IINYFYTJSA-N 0 3 306.406 3.455 20 30 DGEDHN C=C[C@@H](CO)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000289668509 432970726 /nfs/dbraw/zinc/97/07/26/432970726.db2.gz HBGORRJRQBJWKI-UONOGXRCSA-N 0 3 300.427 3.324 20 30 DGEDHN C#CCN[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000289702470 432972558 /nfs/dbraw/zinc/97/25/58/432972558.db2.gz BWNKCKROZSZEKQ-INIZCTEOSA-N 0 3 302.418 3.255 20 30 DGEDHN CCC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279622376 432989142 /nfs/dbraw/zinc/98/91/42/432989142.db2.gz UTYJJWKFZZRACU-KRWDZBQOSA-N 0 3 309.413 3.279 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)CC(C)(C)C#N)N2CCCC2)cc1 ZINC000279293477 432953928 /nfs/dbraw/zinc/95/39/28/432953928.db2.gz PPBSIESVNMDWMB-KRWDZBQOSA-N 0 3 313.445 3.188 20 30 DGEDHN Cn1nnc2cc(CN(Cc3ccc(C#N)cc3)C3CC3)ccc21 ZINC000349922660 433035915 /nfs/dbraw/zinc/03/59/15/433035915.db2.gz YVWKXHDBQAYARK-UHFFFAOYSA-N 0 3 317.396 3.005 20 30 DGEDHN CCN(Cc1c[nH]c2nccnc12)[C@H](C)c1ccc(C#N)cc1 ZINC000290432565 433050630 /nfs/dbraw/zinc/05/06/30/433050630.db2.gz NCFZTHGCYLMFQY-CYBMUJFWSA-N 0 3 305.385 3.413 20 30 DGEDHN C=CCc1cc(CN2CCCC[C@@H]2C[C@@H](C)O)cc(OC)c1O ZINC000280435984 433051604 /nfs/dbraw/zinc/05/16/04/433051604.db2.gz JXTXFLMWPFAXSL-RHSMWYFYSA-N 0 3 319.445 3.255 20 30 DGEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)s1 ZINC000486655789 289135685 /nfs/dbraw/zinc/13/56/85/289135685.db2.gz YCZLXYHTTFTGJK-UHFFFAOYSA-N 0 3 319.474 3.204 20 30 DGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccn2)s1 ZINC000419837486 433070720 /nfs/dbraw/zinc/07/07/20/433070720.db2.gz MGBHMCQZWSCAQI-JTQLQIEISA-N 0 3 300.387 3.081 20 30 DGEDHN Cc1csc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000419832479 433071241 /nfs/dbraw/zinc/07/12/41/433071241.db2.gz JQHZNJQETAKJJK-VIFPVBQESA-N 0 3 320.443 3.451 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425007184 433072973 /nfs/dbraw/zinc/07/29/73/433072973.db2.gz NIQFSSKHVNOQOL-ZWKOTPCHSA-N 0 3 312.457 3.322 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)nc2ccccn21 ZINC000280529128 433073669 /nfs/dbraw/zinc/07/36/69/433073669.db2.gz BTAWXQGWQJXVEA-SWLSCSKDSA-N 0 3 305.809 3.059 20 30 DGEDHN N#Cc1cccc(CCNCc2cnn(-c3ccc(F)cc3)c2)c1 ZINC000341471727 433078564 /nfs/dbraw/zinc/07/85/64/433078564.db2.gz UDWSXJOAISXBGU-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(C#N)ccc1Cl ZINC000350099515 433079553 /nfs/dbraw/zinc/07/95/53/433079553.db2.gz PPAXFVXSNYMJNJ-STQMWFEESA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)c1ccc(C#N)cc1 ZINC000268820257 289414469 /nfs/dbraw/zinc/41/44/69/289414469.db2.gz RPMITDVNMHTFHK-HZPDHXFCSA-N 0 3 313.445 3.390 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000453360008 433121814 /nfs/dbraw/zinc/12/18/14/433121814.db2.gz PRSXRAVONZTNGU-CFVMTHIKSA-N 0 3 321.417 3.097 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453362965 433121968 /nfs/dbraw/zinc/12/19/68/433121968.db2.gz QFVYGXMJRHUIQQ-AAEUAGOBSA-N 0 3 307.825 3.204 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2ccc(Cl)cc2n1C ZINC000280653790 433125757 /nfs/dbraw/zinc/12/57/57/433125757.db2.gz OMZHVDVPYLOAHG-SJKOYZFVSA-N 0 3 319.836 3.298 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1sc(CCOC)nc1C ZINC000453367554 433125923 /nfs/dbraw/zinc/12/59/23/433125923.db2.gz UEDAKNYLMHBATB-BNOWGMLFSA-N 0 3 310.463 3.025 20 30 DGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1cc(C#N)n(C)c1 ZINC000290652061 433128668 /nfs/dbraw/zinc/12/86/68/433128668.db2.gz ZCMACUMYKYSIEK-KRWDZBQOSA-N 0 3 311.433 3.354 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453377779 433133704 /nfs/dbraw/zinc/13/37/04/433133704.db2.gz YROMNAJWVVNWPW-PJSAGSTRSA-N 0 3 315.392 3.314 20 30 DGEDHN CC(C)[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000298436477 433135606 /nfs/dbraw/zinc/13/56/06/433135606.db2.gz AXZHQKHZHYHSLO-HXUWFJFHSA-N 0 3 321.424 3.161 20 30 DGEDHN N#Cc1c(Br)cccc1NC1CCN(C2CC2)CC1 ZINC000290582602 433107279 /nfs/dbraw/zinc/10/72/79/433107279.db2.gz VZXRIBSQCCALKS-UHFFFAOYSA-N 0 3 320.234 3.359 20 30 DGEDHN Cc1nsc(NC[C@@H](C(C)C)N2CCC(C)CC2)c1C#N ZINC000341525364 433110558 /nfs/dbraw/zinc/11/05/58/433110558.db2.gz LJXNXXKUKCRFOD-HNNXBMFYSA-N 0 3 306.479 3.492 20 30 DGEDHN C=C(CC)CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000453352284 433111063 /nfs/dbraw/zinc/11/10/63/433111063.db2.gz ITPOTPATHPHEOA-IRXDYDNUSA-N 0 3 308.853 3.268 20 30 DGEDHN CC(C)[C@@H](CNc1cnccc1C#N)N1CCc2ccccc2C1 ZINC000354575599 433160746 /nfs/dbraw/zinc/16/07/46/433160746.db2.gz HWECHKXBGADAIO-HXUWFJFHSA-N 0 3 320.440 3.448 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000298528544 433168706 /nfs/dbraw/zinc/16/87/06/433168706.db2.gz YRSRQBZOZILAIW-UHFFFAOYSA-N 0 3 314.433 3.094 20 30 DGEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336657404 433173470 /nfs/dbraw/zinc/17/34/70/433173470.db2.gz RKWRFDAENDQQMU-FQEVSTJZSA-N 0 3 305.425 3.265 20 30 DGEDHN C=CCN1CCC(NCc2ccnc(Cl)c2Cl)CC1 ZINC000290806310 433173877 /nfs/dbraw/zinc/17/38/77/433173877.db2.gz FTPGRRZLXSXPGW-UHFFFAOYSA-N 0 3 300.233 3.128 20 30 DGEDHN CN(Cc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336656359 433175343 /nfs/dbraw/zinc/17/53/43/433175343.db2.gz MKEWBKANAXLAKX-HXUWFJFHSA-N 0 3 305.425 3.265 20 30 DGEDHN CN(CC1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280817421 433189004 /nfs/dbraw/zinc/18/90/04/433189004.db2.gz MZVQVOQNJBMOBE-SFHVURJKSA-N 0 3 309.413 3.279 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453457245 433194486 /nfs/dbraw/zinc/19/44/86/433194486.db2.gz XMYHQTVSKYWGMW-INIZCTEOSA-N 0 3 319.497 3.117 20 30 DGEDHN CC[C@@H](NCCC(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000447530808 433216003 /nfs/dbraw/zinc/21/60/03/433216003.db2.gz OYXUKPLIPYHBTJ-LJQANCHMSA-N 0 3 321.424 3.305 20 30 DGEDHN CC[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1 ZINC000447539624 433216582 /nfs/dbraw/zinc/21/65/82/433216582.db2.gz HINTVMZNIXFGKI-LJQANCHMSA-N 0 3 317.396 3.380 20 30 DGEDHN CC[C@@H](NCCNC(=O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000447538501 433219213 /nfs/dbraw/zinc/21/92/13/433219213.db2.gz BQUJAGHRFNAOFZ-GOSISDBHSA-N 0 3 313.445 3.295 20 30 DGEDHN Cn1cc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1C#N ZINC000453611423 433232840 /nfs/dbraw/zinc/23/28/40/433232840.db2.gz IGISGURLPDPCNK-LJQANCHMSA-N 0 3 323.440 3.280 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000280995715 433248254 /nfs/dbraw/zinc/24/82/54/433248254.db2.gz LFVXYNAYGFJQEU-KRWDZBQOSA-N 0 3 315.461 3.305 20 30 DGEDHN CCCCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000361580650 433258767 /nfs/dbraw/zinc/25/87/67/433258767.db2.gz ZYVMEWFPPNFVRR-DLBZAZTESA-N 0 3 303.450 3.312 20 30 DGEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000350714020 433266460 /nfs/dbraw/zinc/26/64/60/433266460.db2.gz NZLUGAXFGHCQGV-UPJWGTAASA-N 0 3 306.841 3.385 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000374740986 433266703 /nfs/dbraw/zinc/26/67/03/433266703.db2.gz XOHYJEXDELTUNP-SFHVURJKSA-N 0 3 302.381 3.355 20 30 DGEDHN C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000281582126 433314357 /nfs/dbraw/zinc/31/43/57/433314357.db2.gz NDEVVPCVWULFIW-YJBOKZPZSA-N 0 3 321.424 3.279 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)Cc1ccc(F)cc1 ZINC000425530336 433284083 /nfs/dbraw/zinc/28/40/83/433284083.db2.gz DWRHUQOOJTZTDV-AUUYWEPGSA-N 0 3 312.388 3.294 20 30 DGEDHN Cc1ccccc1OC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425548804 433291913 /nfs/dbraw/zinc/29/19/13/433291913.db2.gz YNYVZIBPPPHDKM-QFBILLFUSA-N 0 3 324.424 3.299 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](C)c2cc3ccccc3s2)C1=O ZINC000281403477 433299308 /nfs/dbraw/zinc/29/93/08/433299308.db2.gz QQYREHOVAYUKCR-TZMCWYRMSA-N 0 3 300.427 3.339 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000281447840 433303328 /nfs/dbraw/zinc/30/33/28/433303328.db2.gz SPDKDCGDKPMIMO-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CCCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000338603957 433307210 /nfs/dbraw/zinc/30/72/10/433307210.db2.gz PRQSLXIKSIANEX-GOSISDBHSA-N 0 3 300.446 3.152 20 30 DGEDHN Cc1nc(NC2CCN([C@H](C)c3ccncc3)CC2)ccc1C#N ZINC000291775150 433345961 /nfs/dbraw/zinc/34/59/61/433345961.db2.gz CBUBSAXNVUMNAD-OAHLLOKOSA-N 0 3 321.428 3.294 20 30 DGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000299408118 433368254 /nfs/dbraw/zinc/36/82/54/433368254.db2.gz NZSSBVVAAOEOCP-IEBWSBKVSA-N 0 3 313.445 3.268 20 30 DGEDHN CC[C@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000361757142 433374709 /nfs/dbraw/zinc/37/47/09/433374709.db2.gz WZYBYTDUBFXEMT-GOSISDBHSA-N 0 3 312.388 3.470 20 30 DGEDHN Cc1nc2cc(C(=O)C(C#N)c3cc(C)nc(C)n3)ccc2o1 ZINC000361664608 433329233 /nfs/dbraw/zinc/32/92/33/433329233.db2.gz NPPHWCFNAVDUHF-CYBMUJFWSA-N 0 3 306.325 3.033 20 30 DGEDHN Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(C)C#N)cc2)nc(C)n1 ZINC000361665816 433329620 /nfs/dbraw/zinc/32/96/20/433329620.db2.gz ZPYMDAQAURYYBL-INIZCTEOSA-N 0 3 318.380 3.385 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)(C)C#N)cc2)nc(C)n1 ZINC000361665816 433329630 /nfs/dbraw/zinc/32/96/30/433329630.db2.gz ZPYMDAQAURYYBL-INIZCTEOSA-N 0 3 318.380 3.385 20 30 DGEDHN C[C@H]1C[C@H](CO)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000420943047 433335025 /nfs/dbraw/zinc/33/50/25/433335025.db2.gz PKQMZVPZOPGPPG-ZFWWWQNUSA-N 0 3 311.347 3.007 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000413987248 433336951 /nfs/dbraw/zinc/33/69/51/433336951.db2.gz NJGCYSCHTRJWJP-SFHVURJKSA-N 0 3 300.446 3.022 20 30 DGEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000350979732 433339980 /nfs/dbraw/zinc/33/99/80/433339980.db2.gz RUJADFFRYQDDAN-RHSMWYFYSA-N 0 3 309.413 3.135 20 30 DGEDHN CC(C)(C)CCN1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361689277 433341029 /nfs/dbraw/zinc/34/10/29/433341029.db2.gz IVVSYKAWWYPDKS-UHFFFAOYSA-N 0 3 303.425 3.251 20 30 DGEDHN COc1cc(CNC[C@H](c2ccsc2)N(C)C)ccc1C#N ZINC000281663136 433341797 /nfs/dbraw/zinc/34/17/97/433341797.db2.gz KYGMBWCKWCGEBM-MRXNPFEDSA-N 0 3 315.442 3.021 20 30 DGEDHN CN(C)[C@H](CNc1ncc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000339137303 433389298 /nfs/dbraw/zinc/38/92/98/433389298.db2.gz CEIUMAYKDCUCEN-OAHLLOKOSA-N 0 3 318.783 3.461 20 30 DGEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000375266169 433403513 /nfs/dbraw/zinc/40/35/13/433403513.db2.gz KWUDBLRSKCNXJK-CQSZACIVSA-N 0 3 324.428 3.389 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421056103 433412728 /nfs/dbraw/zinc/41/27/28/433412728.db2.gz SGTUALLORXYHBU-MRXNPFEDSA-N 0 3 317.433 3.199 20 30 DGEDHN C=CCN1CCC(Nc2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000291970596 433412680 /nfs/dbraw/zinc/41/26/80/433412680.db2.gz OXLQUMZTFWRPLY-UHFFFAOYSA-N 0 3 306.413 3.477 20 30 DGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(N2CCOCC2)c1 ZINC000414174562 433440281 /nfs/dbraw/zinc/44/02/81/433440281.db2.gz YGXSRJNEEPURAU-OAHLLOKOSA-N 0 3 301.434 3.114 20 30 DGEDHN C=CCCOCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292071787 433448832 /nfs/dbraw/zinc/44/88/32/433448832.db2.gz HLMSZEOQXNKTEP-CRAIPNDOSA-N 0 3 307.409 3.476 20 30 DGEDHN CC[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000301235889 433462278 /nfs/dbraw/zinc/46/22/78/433462278.db2.gz DCGBLQAPMQVXRZ-AWEZNQCLSA-N 0 3 302.378 3.143 20 30 DGEDHN CC(C)c1nnc(CCN[C@H]2CCc3ccc(C#N)cc32)s1 ZINC000426297599 433458336 /nfs/dbraw/zinc/45/83/36/433458336.db2.gz BQRKNBMKTZETHV-HNNXBMFYSA-N 0 3 312.442 3.353 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000454537444 433468214 /nfs/dbraw/zinc/46/82/14/433468214.db2.gz HAOAUEOSELLZGO-OWCLPIDISA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295406861 290219242 /nfs/dbraw/zinc/21/92/42/290219242.db2.gz BTCDODICANTNTN-ZBFHGGJFSA-N 0 3 313.445 3.233 20 30 DGEDHN CCN(CC)[C@H](CNCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000421326377 433478866 /nfs/dbraw/zinc/47/88/66/433478866.db2.gz NUJAKWHNVWVEOJ-QGZVFWFLSA-N 0 3 315.392 3.463 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000421334878 433482414 /nfs/dbraw/zinc/48/24/14/433482414.db2.gz QYUJEPYWPSWHMC-KRWDZBQOSA-N 0 3 313.376 3.217 20 30 DGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCCC#N ZINC000292241793 433518492 /nfs/dbraw/zinc/51/84/92/433518492.db2.gz UZCVVLYKHGMPBH-SFHVURJKSA-N 0 3 313.445 3.051 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000454623069 433519415 /nfs/dbraw/zinc/51/94/15/433519415.db2.gz RHRDDTUOBROYRX-AEFFLSMTSA-N 0 3 315.461 3.162 20 30 DGEDHN N#CC1(CCCN2CCc3ccc(F)cc3C2)CCOCC1 ZINC000282110619 433498994 /nfs/dbraw/zinc/49/89/94/433498994.db2.gz WWDFTQIFJHVZLV-UHFFFAOYSA-N 0 3 302.393 3.284 20 30 DGEDHN C=C(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000454607712 433509888 /nfs/dbraw/zinc/50/98/88/433509888.db2.gz ICVKKBPQSYOMBU-WMZOPIPTSA-N 0 3 315.461 3.162 20 30 DGEDHN Cc1cc(CNC2CCC(Oc3ccccc3C#N)CC2)nn1C ZINC000414345130 433554773 /nfs/dbraw/zinc/55/47/73/433554773.db2.gz DHMFNXHDJJWEBU-UHFFFAOYSA-N 0 3 324.428 3.080 20 30 DGEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375761319 433555711 /nfs/dbraw/zinc/55/57/11/433555711.db2.gz HLHXJQIVGHNZEB-MRXNPFEDSA-N 0 3 321.465 3.403 20 30 DGEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCCN1C ZINC000455734652 433556176 /nfs/dbraw/zinc/55/61/76/433556176.db2.gz PHRIIYIYSKASBL-SMDDNHRTSA-N 0 3 320.824 3.010 20 30 DGEDHN COCC[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000456290072 433573372 /nfs/dbraw/zinc/57/33/72/433573372.db2.gz NIYXSJBLBJIYTP-GWCFXTLKSA-N 0 3 314.307 3.059 20 30 DGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000362191781 433574459 /nfs/dbraw/zinc/57/44/59/433574459.db2.gz RXCPUEBYHZKDSV-IRXDYDNUSA-N 0 3 309.413 3.278 20 30 DGEDHN COCC(C)(C)N(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000292751011 433591542 /nfs/dbraw/zinc/59/15/42/433591542.db2.gz IKUIBGOHJCYYCZ-UHFFFAOYSA-N 0 3 320.433 3.235 20 30 DGEDHN N#Cc1ccc(CN2CCN(C3CCCCC3)CC2)c(F)c1 ZINC000162908803 292860082 /nfs/dbraw/zinc/86/00/82/292860082.db2.gz LPKOTEQWWFYBEP-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN CCCO[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282432019 433605523 /nfs/dbraw/zinc/60/55/23/433605523.db2.gz TYKVHEIUZKOIOT-QGZVFWFLSA-N 0 3 302.418 3.348 20 30 DGEDHN N#Cc1ccc(CNC[C@H](CO)c2ccccc2Cl)cc1 ZINC000342311854 433609659 /nfs/dbraw/zinc/60/96/59/433609659.db2.gz JQHORMYOHBBPDS-OAHLLOKOSA-N 0 3 300.789 3.077 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cnccc3c2)CC1 ZINC000448919933 433611330 /nfs/dbraw/zinc/61/13/30/433611330.db2.gz DNXDOSZPANTGHH-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN COC[C@@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000342317947 433612394 /nfs/dbraw/zinc/61/23/94/433612394.db2.gz MPIOMNRPCLAUOZ-GOSISDBHSA-N 0 3 314.360 3.053 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000426827063 433613186 /nfs/dbraw/zinc/61/31/86/433613186.db2.gz GYMZTPVTXCRSHU-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000426827064 433613749 /nfs/dbraw/zinc/61/37/49/433613749.db2.gz GYMZTPVTXCRSHU-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN CCN1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301561674 433615491 /nfs/dbraw/zinc/61/54/91/433615491.db2.gz YCZPIKPDPLUQRD-UHFFFAOYSA-N 0 3 308.429 3.255 20 30 DGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H](CO)CC(C)(C)C ZINC000456429341 433661088 /nfs/dbraw/zinc/66/10/88/433661088.db2.gz CIOAGLMATZGLBJ-IAGOWNOFSA-N 0 3 316.445 3.014 20 30 DGEDHN CC1=CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000339624501 433689519 /nfs/dbraw/zinc/68/95/19/433689519.db2.gz VXMAZZLAMXCTNR-UHFFFAOYSA-N 0 3 303.793 3.192 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000366907611 293003614 /nfs/dbraw/zinc/00/36/14/293003614.db2.gz BUSNYNZLRQFSGX-KURKYZTESA-N 0 3 302.393 3.213 20 30 DGEDHN C=CCC[C@@H](C(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000421713175 433698016 /nfs/dbraw/zinc/69/80/16/433698016.db2.gz RYRWGPYFEDEORD-QZTJIDSGSA-N 0 3 300.446 3.289 20 30 DGEDHN COc1cc(CN2CC3(CCOCC3)[C@@H]2C(C)C)ccc1C#N ZINC000414538183 433700799 /nfs/dbraw/zinc/70/07/99/433700799.db2.gz LQTCAYSUGJGPGZ-SFHVURJKSA-N 0 3 314.429 3.204 20 30 DGEDHN C=CCCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000356802036 433703692 /nfs/dbraw/zinc/70/36/92/433703692.db2.gz GCRYVKLGIBNNFQ-WMZOPIPTSA-N 0 3 312.457 3.370 20 30 DGEDHN CC#CCN(C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000293348558 433709851 /nfs/dbraw/zinc/70/98/51/433709851.db2.gz ZDRDHXYZNOHBKU-UHFFFAOYSA-N 0 3 301.365 3.072 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H](CO)[C@H]2C)ccc1OC ZINC000414584927 433733199 /nfs/dbraw/zinc/73/31/99/433733199.db2.gz TXIJTUJAGWWWAN-NVXWUHKLSA-N 0 3 319.445 3.243 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000428831382 433763611 /nfs/dbraw/zinc/76/36/11/433763611.db2.gz DIHHVVOPRHWXLZ-IRXDYDNUSA-N 0 3 315.461 3.466 20 30 DGEDHN C[C@@H](Cc1cccc(O)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456704632 433783305 /nfs/dbraw/zinc/78/33/05/433783305.db2.gz SZFGSJVCKFQYOA-MAUKXSAKSA-N 0 3 322.408 3.212 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCCC[C@H]1C ZINC000343176609 433783812 /nfs/dbraw/zinc/78/38/12/433783812.db2.gz CBZGMRJZDYVYIF-CHWSQXEVSA-N 0 3 318.396 3.082 20 30 DGEDHN C[C@H]1[C@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)CCCN1C ZINC000343450068 433804737 /nfs/dbraw/zinc/80/47/37/433804737.db2.gz DZZSWLJBBYFJNA-ZUZCIYMTSA-N 0 3 316.355 3.279 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000376738998 433808852 /nfs/dbraw/zinc/80/88/52/433808852.db2.gz ZRMJHAOAKUSCAW-SVFBPWRDSA-N 0 3 324.468 3.119 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](CC)O1 ZINC000421988205 433833729 /nfs/dbraw/zinc/83/37/29/433833729.db2.gz UUKHYKBEANEGAO-OKZBNKHCSA-N 0 3 314.429 3.175 20 30 DGEDHN CN(C[C@H]1CC=CCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000344028882 433842619 /nfs/dbraw/zinc/84/26/19/433842619.db2.gz ACIHDFVFZWBJHQ-DZGCQCFKSA-N 0 3 315.442 3.013 20 30 DGEDHN CCC(CC)N(CCOC)C(=O)C(C#N)CCc1ccccc1 ZINC000433314614 433846172 /nfs/dbraw/zinc/84/61/72/433846172.db2.gz VWGLDWKIBPCCAD-KRWDZBQOSA-N 0 3 316.445 3.423 20 30 DGEDHN C=C(CC)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000456825425 433846217 /nfs/dbraw/zinc/84/62/17/433846217.db2.gz HLYLSPRRBSMERA-INIZCTEOSA-N 0 3 304.409 3.120 20 30 DGEDHN C#CCCOc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1 ZINC000285130194 433919170 /nfs/dbraw/zinc/91/91/70/433919170.db2.gz SBEDERPCEQKOQA-VQTJNVASSA-N 0 3 322.408 3.104 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000436297934 433936077 /nfs/dbraw/zinc/93/60/77/433936077.db2.gz XORRTUBXCUYQHH-JCGVRSQUSA-N 0 3 323.408 3.475 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000284438748 433894009 /nfs/dbraw/zinc/89/40/09/433894009.db2.gz SOFWURZMJNUVLI-LZWOXQAQSA-N 0 3 320.458 3.213 20 30 DGEDHN COc1ccc(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)cc1C#N ZINC000340195975 433981771 /nfs/dbraw/zinc/98/17/71/433981771.db2.gz ILBSTQXXQOKHMR-AEFFLSMTSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000285541391 433990366 /nfs/dbraw/zinc/99/03/66/433990366.db2.gz FYXGAQJBGDFUOU-OAHLLOKOSA-N 0 3 306.413 3.273 20 30 DGEDHN C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000450257391 434061933 /nfs/dbraw/zinc/06/19/33/434061933.db2.gz LJLDKCYJSZSYBQ-OLZOCXBDSA-N 0 3 302.378 3.141 20 30 DGEDHN CC1CCN([C@@H](CNc2nccc(C#N)n2)c2ccccc2)CC1 ZINC000450268527 434064813 /nfs/dbraw/zinc/06/48/13/434064813.db2.gz HIJJDJKHYKUWOK-SFHVURJKSA-N 0 3 321.428 3.233 20 30 DGEDHN C=CCOc1ccc(CNC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000285887456 434097119 /nfs/dbraw/zinc/09/71/19/434097119.db2.gz JPDNSHBIPOOJGJ-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN CC(C)[C@H](O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352836914 434054282 /nfs/dbraw/zinc/05/42/82/434054282.db2.gz KWZJXOJPLQCWBE-CQSZACIVSA-N 0 3 300.324 3.074 20 30 DGEDHN Cc1c(C#N)c(N2CC[C@@H](N3CCCCC3)C2)nc2ccccc12 ZINC000450325061 434104014 /nfs/dbraw/zinc/10/40/14/434104014.db2.gz SIGBBLHXIXRNOD-MRXNPFEDSA-N 0 3 320.440 3.480 20 30 DGEDHN N#CC1(CNC(=O)c2ccc(CN3CCCCC3)cc2)CCC1 ZINC000416344386 434108067 /nfs/dbraw/zinc/10/80/67/434108067.db2.gz CECYKAPAMAENIJ-UHFFFAOYSA-N 0 3 311.429 3.096 20 30 DGEDHN N#CC1(CNC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000416357573 434112874 /nfs/dbraw/zinc/11/28/74/434112874.db2.gz YGMNPXWCNHZMBZ-UHFFFAOYSA-N 0 3 311.429 3.096 20 30 DGEDHN C=CC(C)(C)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000294630391 434124917 /nfs/dbraw/zinc/12/49/17/434124917.db2.gz YQMPZTJEIPUUJT-UHFFFAOYSA-N 0 3 315.461 3.368 20 30 DGEDHN C=CCOc1ccc(CN2CCCOC(C)(C)C2)cc1OC ZINC000378345045 434150334 /nfs/dbraw/zinc/15/03/34/434150334.db2.gz GRAVDFDSSHPDAZ-UHFFFAOYSA-N 0 3 305.418 3.261 20 30 DGEDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000286073343 434155201 /nfs/dbraw/zinc/15/52/01/434155201.db2.gz JUBICWFFZRIDOZ-DAXOMENPSA-N 0 3 317.458 3.149 20 30 DGEDHN CN(CCC#N)c1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000294942074 434155278 /nfs/dbraw/zinc/15/52/78/434155278.db2.gz CIPSYHAWPTYKGJ-FQEVSTJZSA-N 0 3 323.440 3.202 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2CCCc3cn[nH]c32)c1 ZINC000363830559 434157966 /nfs/dbraw/zinc/15/79/66/434157966.db2.gz QPJGCGCLHGCYAX-QGZVFWFLSA-N 0 3 310.401 3.259 20 30 DGEDHN C[C@H]1CCC[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000357740430 434159357 /nfs/dbraw/zinc/15/93/57/434159357.db2.gz JOSBKBVRKULQQL-HOTGVXAUSA-N 0 3 305.466 3.182 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000295031714 434163672 /nfs/dbraw/zinc/16/36/72/434163672.db2.gz FGPRRUUWNNCGRA-NVXWUHKLSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000295031728 434164722 /nfs/dbraw/zinc/16/47/22/434164722.db2.gz FGPRRUUWNNCGRA-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000346179733 434178697 /nfs/dbraw/zinc/17/86/97/434178697.db2.gz JKXWISBNSIYURP-STQMWFEESA-N 0 3 323.387 3.074 20 30 DGEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000346179729 434179115 /nfs/dbraw/zinc/17/91/15/434179115.db2.gz JKXWISBNSIYURP-QWHCGFSZSA-N 0 3 323.387 3.074 20 30 DGEDHN CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000286169070 434185287 /nfs/dbraw/zinc/18/52/87/434185287.db2.gz OMYXDQGDOFQAHM-UXIGCNINSA-N 0 3 303.406 3.263 20 30 DGEDHN C[C@H](NCCCC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000346194346 434190037 /nfs/dbraw/zinc/19/00/37/434190037.db2.gz OCVHAUUNLOEBSN-LBPRGKRZSA-N 0 3 306.381 3.470 20 30 DGEDHN Cc1ccccc1CN1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000286223477 434200825 /nfs/dbraw/zinc/20/08/25/434200825.db2.gz GZTJNAALIUZAJU-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000286283050 434215312 /nfs/dbraw/zinc/21/53/12/434215312.db2.gz UQQXOGKSWGGSTE-VBNZEHGJSA-N 0 3 317.458 3.149 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H]2CCOC2)C2CC2)c(OC(F)F)c1 ZINC000437423805 434261293 /nfs/dbraw/zinc/26/12/93/434261293.db2.gz HDOFUFKPIDMABF-ZDUSSCGKSA-N 0 3 322.355 3.161 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCCSCC#N ZINC000347571435 434268410 /nfs/dbraw/zinc/26/84/10/434268410.db2.gz RBZKMLDSUBPBRN-IAGOWNOFSA-N 0 3 317.502 3.228 20 30 DGEDHN Cc1nc2c(cccc2C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000347586471 434269320 /nfs/dbraw/zinc/26/93/20/434269320.db2.gz GSWZROMONXFAEX-CYBMUJFWSA-N 0 3 306.325 3.033 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCOC1 ZINC000437146302 434226032 /nfs/dbraw/zinc/22/60/32/434226032.db2.gz AHRPORBSWZRRCZ-ZDUSSCGKSA-N 0 3 310.344 3.018 20 30 DGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@@H](C2CC2)C1 ZINC000328947056 434333188 /nfs/dbraw/zinc/33/31/88/434333188.db2.gz MLGFULZHVVGQGW-YUELXQCFSA-N 0 3 307.438 3.168 20 30 DGEDHN N#Cc1ccc(OCCN2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000437544142 434287326 /nfs/dbraw/zinc/28/73/26/434287326.db2.gz XGFDPDOIXXDUEM-IAGOWNOFSA-N 0 3 302.443 3.297 20 30 DGEDHN CC(C)(NCCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000348329035 434290401 /nfs/dbraw/zinc/29/04/01/434290401.db2.gz XTXABKSYKPIHDK-UHFFFAOYSA-N 0 3 313.426 3.473 20 30 DGEDHN COc1cc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)ccc1C#N ZINC000353640028 434293460 /nfs/dbraw/zinc/29/34/60/434293460.db2.gz FWANMXKYQXJFGW-IRXDYDNUSA-N 0 3 302.418 3.249 20 30 DGEDHN Cc1nn(C)cc1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328731593 434303829 /nfs/dbraw/zinc/30/38/29/434303829.db2.gz WZJNEBPDYMFJGJ-UHFFFAOYSA-N 0 3 318.465 3.079 20 30 DGEDHN C[C@@H](CN(C)C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000287249908 434313479 /nfs/dbraw/zinc/31/34/79/434313479.db2.gz QVJMYPJQUJDDQS-AWEZNQCLSA-N 0 3 323.396 3.030 20 30 DGEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000348420165 434316154 /nfs/dbraw/zinc/31/61/54/434316154.db2.gz XKKGOANACSRRTK-GFCCVEGCSA-N 0 3 313.426 3.472 20 30 DGEDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000328859137 434320188 /nfs/dbraw/zinc/32/01/88/434320188.db2.gz ACBVQAWYBSAZLS-XJKSGUPXSA-N 0 3 323.343 3.040 20 30 DGEDHN N#Cc1ccccc1OCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000437516309 434277803 /nfs/dbraw/zinc/27/78/03/434277803.db2.gz PKIAFENSBIXKTN-RDJZCZTQSA-N 0 3 302.443 3.297 20 30 DGEDHN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)C2=CCN(C)CC2)s1 ZINC000329261782 434382066 /nfs/dbraw/zinc/38/20/66/434382066.db2.gz AYWFIAXQIIZZSC-CMPLNLGQSA-N 0 3 323.462 3.114 20 30 DGEDHN C=CC[C@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000295398580 434344257 /nfs/dbraw/zinc/34/42/57/434344257.db2.gz REYZCBGYPPOTMQ-LPHOPBHVSA-N 0 3 312.457 3.289 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)ccc2OC)C1(C)C ZINC000438059587 434391014 /nfs/dbraw/zinc/39/10/14/434391014.db2.gz FCCFKIRXQACIBY-IRXDYDNUSA-N 0 3 302.418 3.202 20 30 DGEDHN CN(C[C@H](O)c1ccccc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC000295414651 434352707 /nfs/dbraw/zinc/35/27/07/434352707.db2.gz UNEJQYUWMDDYPQ-XUJVJEKNSA-N 0 3 323.234 3.107 20 30 DGEDHN CC(C)(CNC(=O)c1ccc2nsnc2c1)N1CCCCC1 ZINC000329086051 434354243 /nfs/dbraw/zinc/35/42/43/434354243.db2.gz GPNHBNIBWCEPIN-UHFFFAOYSA-N 0 3 318.446 3.260 20 30 DGEDHN C[C@H](C(=O)NCc1ccccc1CN(C)C)c1cccc(C#N)c1 ZINC000359839901 434446500 /nfs/dbraw/zinc/44/65/00/434446500.db2.gz KCBGEZLIVJAYFK-HNNXBMFYSA-N 0 3 321.424 3.040 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2OC)C1(C)C ZINC000438059589 434392889 /nfs/dbraw/zinc/39/28/89/434392889.db2.gz FCCFKIRXQACIBY-SJORKVTESA-N 0 3 302.418 3.202 20 30 DGEDHN N#Cc1cccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1F ZINC000340871498 434405050 /nfs/dbraw/zinc/40/50/50/434405050.db2.gz AGKWVHCUPBPWNJ-QAPCUYQASA-N 0 3 313.420 3.146 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2nc[nH]c2cc1F ZINC000329399200 434405833 /nfs/dbraw/zinc/40/58/33/434405833.db2.gz VKONBNAVQLRYQK-VXGBXAGGSA-N 0 3 318.396 3.127 20 30 DGEDHN N#Cc1cccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1F ZINC000340871497 434406819 /nfs/dbraw/zinc/40/68/19/434406819.db2.gz AGKWVHCUPBPWNJ-MAUKXSAKSA-N 0 3 313.420 3.146 20 30 DGEDHN C=CCOCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000358919290 434409339 /nfs/dbraw/zinc/40/93/39/434409339.db2.gz ANWPZGCBEMJZOG-INIZCTEOSA-N 0 3 324.852 3.042 20 30 DGEDHN CC(C)Cc1ccc([C@H](CNc2nccnc2C#N)N(C)C)cc1 ZINC000340924475 434435008 /nfs/dbraw/zinc/43/50/08/434435008.db2.gz CSIGQEIDOQSAQF-SFHVURJKSA-N 0 3 323.444 3.262 20 30 DGEDHN C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1cccc(C#N)c1 ZINC000353792487 434436194 /nfs/dbraw/zinc/43/61/94/434436194.db2.gz HCYLMFUEONBRMR-PEBXRYMYSA-N 0 3 312.438 3.288 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450852774 434439243 /nfs/dbraw/zinc/43/92/43/434439243.db2.gz DKSGXYKNTBIXRG-CGTJXYLNSA-N 0 3 312.413 3.004 20 30 DGEDHN CC(C)N1CCCC[C@@H]1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000450885884 434459396 /nfs/dbraw/zinc/45/93/96/434459396.db2.gz VNSNMORBAFJMMS-CEXWTWQISA-N 0 3 319.493 3.177 20 30 DGEDHN C[C@@H](NCc1ccc(Br)cc1C#N)C1CCOCC1 ZINC000287846852 434463315 /nfs/dbraw/zinc/46/33/15/434463315.db2.gz QYEQIBOJYPPCOU-LLVKDONJSA-N 0 3 323.234 3.225 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@]12CCOC2)c1ccccc1 ZINC000329727210 434468618 /nfs/dbraw/zinc/46/86/18/434468618.db2.gz GTFWFDIZGPKOOS-QOKNQOGYSA-N 0 3 316.445 3.499 20 30 DGEDHN Cn1cc(CN[C@H]2CCCc3c(F)cc(F)cc32)cc1C#N ZINC000295995796 434469008 /nfs/dbraw/zinc/46/90/08/434469008.db2.gz KOVSTZYOUSVXES-KRWDZBQOSA-N 0 3 301.340 3.342 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000296024431 434481407 /nfs/dbraw/zinc/48/14/07/434481407.db2.gz PSDQGHALNQAWFU-IXDOHACOSA-N 0 3 302.466 3.177 20 30 DGEDHN Cc1cc(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cnn1 ZINC000329826328 434488084 /nfs/dbraw/zinc/48/80/84/434488084.db2.gz IQSBCXHZRNLWPF-OAHLLOKOSA-N 0 3 324.428 3.315 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404741536 434518123 /nfs/dbraw/zinc/51/81/23/434518123.db2.gz BHJNFGKLTKQFLR-NWDGAFQWSA-N 0 3 321.396 3.089 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1ccsc1)OCC ZINC000458211952 434528879 /nfs/dbraw/zinc/52/88/79/434528879.db2.gz AZANSECNQRCKBG-INIZCTEOSA-N 0 3 324.490 3.010 20 30 DGEDHN C=CCN(CCC(=O)N1CCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000438838859 434535460 /nfs/dbraw/zinc/53/54/60/434535460.db2.gz VJGJKHVIKDMISE-MRXNPFEDSA-N 0 3 316.445 3.084 20 30 DGEDHN Cc1cccc(CN2CCC(C#N)(c3ccccn3)CC2)c1O ZINC000367242827 434543888 /nfs/dbraw/zinc/54/38/88/434543888.db2.gz DXLHKFOJMSSLPT-UHFFFAOYSA-N 0 3 307.397 3.153 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417973055 434560840 /nfs/dbraw/zinc/56/08/40/434560840.db2.gz CCWNYYMMTIAFOR-WMLDXEAASA-N 0 3 303.450 3.293 20 30 DGEDHN Cc1nsc(NC[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000368549015 434578372 /nfs/dbraw/zinc/57/83/72/434578372.db2.gz AMPODIOTCCCSPJ-OAHLLOKOSA-N 0 3 312.442 3.257 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000451594680 434574772 /nfs/dbraw/zinc/57/47/72/434574772.db2.gz BLNNSGAIXITIRC-XKQJLSEDSA-N 0 3 302.418 3.070 20 30 DGEDHN CC1CCC(N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000360354773 434587281 /nfs/dbraw/zinc/58/72/81/434587281.db2.gz PURATIKEIWYEGY-UHFFFAOYSA-N 0 3 301.409 3.398 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1c1ccccc1 ZINC000329728282 295384031 /nfs/dbraw/zinc/38/40/31/295384031.db2.gz PAJPTMOKJQUEMD-PBHICJAKSA-N 0 3 310.401 3.018 20 30 DGEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H]1c1ccccc1 ZINC000329728282 295384033 /nfs/dbraw/zinc/38/40/33/295384033.db2.gz PAJPTMOKJQUEMD-PBHICJAKSA-N 0 3 310.401 3.018 20 30 DGEDHN C=CCN1CC[C@H](N(CC)[C@@H](CC)Cc2ccc(C)cc2)C1=O ZINC000410389545 434645089 /nfs/dbraw/zinc/64/50/89/434645089.db2.gz OCLHNXYZBJOCMF-OALUTQOASA-N 0 3 314.473 3.425 20 30 DGEDHN C=CCN1CC[C@@H](N2CC[C@@](C)(CCc3ccccc3)C2)C1=O ZINC000410407326 434645239 /nfs/dbraw/zinc/64/52/39/434645239.db2.gz ORMOKRHJHMOBMM-UYAOXDASSA-N 0 3 312.457 3.118 20 30 DGEDHN CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424092914 434620563 /nfs/dbraw/zinc/62/05/63/434620563.db2.gz QWZZKKCQOAJCJZ-CVEARBPZSA-N 0 3 319.424 3.440 20 30 DGEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1Cl ZINC000424115631 434625094 /nfs/dbraw/zinc/62/50/94/434625094.db2.gz AQYMJCZMYNQSLX-SKDRFNHKSA-N 0 3 314.216 3.192 20 30 DGEDHN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424122732 434627700 /nfs/dbraw/zinc/62/77/00/434627700.db2.gz JRGMWIASBUMXPE-LBPRGKRZSA-N 0 3 309.797 3.087 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000424118087 434629050 /nfs/dbraw/zinc/62/90/50/434629050.db2.gz ZYADSEGEUFRTFI-HNNXBMFYSA-N 0 3 319.836 3.247 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000424125397 434631257 /nfs/dbraw/zinc/63/12/57/434631257.db2.gz NTZRKEATKALBQK-CYBMUJFWSA-N 0 3 313.323 3.141 20 30 DGEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000439647161 434633387 /nfs/dbraw/zinc/63/33/87/434633387.db2.gz LLLHFCZAOXDMBJ-ZDUSSCGKSA-N 0 3 322.393 3.342 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000424144619 434635888 /nfs/dbraw/zinc/63/58/88/434635888.db2.gz SNAIYFATCWGBDS-JKSUJKDBSA-N 0 3 319.836 3.319 20 30 DGEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)C1=O ZINC000410390123 434644728 /nfs/dbraw/zinc/64/47/28/434644728.db2.gz OOLHHEGDKBVOQJ-UHOSZYNNSA-N 0 3 312.457 3.289 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(F)cc1C#N)C1(CO)CCCC1 ZINC000459549336 434604316 /nfs/dbraw/zinc/60/43/16/434604316.db2.gz ZJONRCRQODFKLF-QGZVFWFLSA-N 0 3 304.409 3.364 20 30 DGEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418142377 434605394 /nfs/dbraw/zinc/60/53/94/434605394.db2.gz NDWNERIGJPZSKH-KBPBESRZSA-N 0 3 302.418 3.479 20 30 DGEDHN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(OCC#N)cc1 ZINC000360791663 434695582 /nfs/dbraw/zinc/69/55/82/434695582.db2.gz HMJGJAYMYCTHPI-YWZLYKJASA-N 0 3 321.424 3.426 20 30 DGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000424324951 434697491 /nfs/dbraw/zinc/69/74/91/434697491.db2.gz KLZDZDSEOOOKMN-IIYDPXPESA-N 0 3 312.417 3.313 20 30 DGEDHN CC(C)(C)OC(=O)C(C)(C)CCNCc1cccc(C#N)c1 ZINC000424188866 434648419 /nfs/dbraw/zinc/64/84/19/434648419.db2.gz MBRCOINVKXRFRH-UHFFFAOYSA-N 0 3 302.418 3.406 20 30 DGEDHN CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424184467 434650864 /nfs/dbraw/zinc/65/08/64/434650864.db2.gz MHWVFZRVPFPWBH-IRXDYDNUSA-N 0 3 313.445 3.228 20 30 DGEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)ccc1Br ZINC000459665525 434653622 /nfs/dbraw/zinc/65/36/22/434653622.db2.gz QJGHRAOAYYYBBS-UHFFFAOYSA-N 0 3 318.218 3.258 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000424193087 434654064 /nfs/dbraw/zinc/65/40/64/434654064.db2.gz JRIZZMPTZHUSQZ-CMPLNLGQSA-N 0 3 302.328 3.137 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000410536629 434655147 /nfs/dbraw/zinc/65/51/47/434655147.db2.gz BWPLCUNZWKSDIW-QGZVFWFLSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000418484285 434663444 /nfs/dbraw/zinc/66/34/44/434663444.db2.gz GKUBEXBIXIEMIR-GOSISDBHSA-N 0 3 309.413 3.200 20 30 DGEDHN CN(CC(C)(C)C#N)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418503330 434666281 /nfs/dbraw/zinc/66/62/81/434666281.db2.gz XRZVNIGSMGODOS-KRWDZBQOSA-N 0 3 324.428 3.031 20 30 DGEDHN C[C@@H](NCC(=O)N1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360682286 434667906 /nfs/dbraw/zinc/66/79/06/434667906.db2.gz TVWDVMHYHHRMMU-OAHLLOKOSA-N 0 3 319.408 3.108 20 30 DGEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC#N)[C@@H]2CCCC[C@H]12 ZINC000439985795 434670509 /nfs/dbraw/zinc/67/05/09/434670509.db2.gz VSUCFCHGAWZXMD-FIDHJVLJSA-N 0 3 305.466 3.084 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000354215725 434674512 /nfs/dbraw/zinc/67/45/12/434674512.db2.gz JKVLNANTGXFZPW-UHFFFAOYSA-N 0 3 321.424 3.234 20 30 DGEDHN CCC[C@@H](C#N)N(C)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000410828615 434679087 /nfs/dbraw/zinc/67/90/87/434679087.db2.gz OFJRUTSTLHQDMY-MSOLQXFVSA-N 0 3 313.445 3.049 20 30 DGEDHN C=C(C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000452718743 434689368 /nfs/dbraw/zinc/68/93/68/434689368.db2.gz QUNIWORHZMYNDW-INIZCTEOSA-N 0 3 322.399 3.226 20 30 DGEDHN C=CCC(C)(C)CN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419186794 434748514 /nfs/dbraw/zinc/74/85/14/434748514.db2.gz QLLZXXPKFDMHFL-CQSZACIVSA-N 0 3 307.438 3.672 20 30 DGEDHN Cc1ccnc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000360863554 434714092 /nfs/dbraw/zinc/71/40/92/434714092.db2.gz FHACOKDEOFEQDR-CRAIPNDOSA-N 0 3 306.413 3.194 20 30 DGEDHN Cc1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000360863556 434714474 /nfs/dbraw/zinc/71/44/74/434714474.db2.gz FHACOKDEOFEQDR-QAPCUYQASA-N 0 3 306.413 3.194 20 30 DGEDHN CNC(=O)c1ccc(CN(C)CCC2(C#N)CCCCC2)cc1 ZINC000411142248 434729463 /nfs/dbraw/zinc/72/94/63/434729463.db2.gz GEXZKTSDLYEFFM-UHFFFAOYSA-N 0 3 313.445 3.342 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419365278 434779219 /nfs/dbraw/zinc/77/92/19/434779219.db2.gz XRDNVANADZXHJH-AUUYWEPGSA-N 0 3 313.445 3.269 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000444748655 434786348 /nfs/dbraw/zinc/78/63/48/434786348.db2.gz QZQBPRFJGVAKRV-JKSUJKDBSA-N 0 3 305.466 3.086 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000424789237 434803024 /nfs/dbraw/zinc/80/30/24/434803024.db2.gz WIDQBCVOKNMTQC-WBVHZDCISA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC[C@@H]1N(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCCC1(C)C ZINC000445128143 434790300 /nfs/dbraw/zinc/79/03/00/434790300.db2.gz DXYMBPDCEPGHJP-JYJNAYRXSA-N 0 3 307.482 3.245 20 30 DGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000411638282 434809799 /nfs/dbraw/zinc/80/97/99/434809799.db2.gz HCWATBWTOIXMBD-KRWDZBQOSA-N 0 3 317.477 3.070 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)[C@@H](C)[C@H]2C)ccc1OC ZINC000361157750 434817910 /nfs/dbraw/zinc/81/79/10/434817910.db2.gz YESMNNOKRPCLMW-JKSUJKDBSA-N 0 3 318.461 3.175 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCN(C)c3ccccc3C2)cc1 ZINC000372413146 434823729 /nfs/dbraw/zinc/82/37/29/434823729.db2.gz HWWKGVNAPASAFJ-INIZCTEOSA-N 0 3 321.424 3.429 20 30 DGEDHN CN(C(=O)CN1CCCCC(C)(C)C1)C1(C#N)CCCCC1 ZINC000446058753 434845300 /nfs/dbraw/zinc/84/53/00/434845300.db2.gz FZJLFZLGXXZDOT-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN C=CCC[C@H](O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995580 434851875 /nfs/dbraw/zinc/85/18/75/434851875.db2.gz DNTHXJPWLHNUBY-ROUUACIJSA-N 0 3 301.430 3.167 20 30 DGEDHN Cn1cc(CNCc2cccc(-c3cccnc3)c2)cc1C#N ZINC000372774952 434853073 /nfs/dbraw/zinc/85/30/73/434853073.db2.gz GEJSARNSCHHLFA-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)C2CCCCC2)CC1 ZINC000446201505 434853709 /nfs/dbraw/zinc/85/37/09/434853709.db2.gz MHLINOGWRYDKKJ-HNNXBMFYSA-N 0 3 307.482 3.247 20 30 DGEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2ccc(Cl)cc12 ZINC000573283105 434886779 /nfs/dbraw/zinc/88/67/79/434886779.db2.gz MSLABTIIXTXWGF-GFCCVEGCSA-N 0 3 300.793 3.397 20 30 DGEDHN Cc1cc(CNCCOc2ncccc2Cl)ccc1C#N ZINC000443998419 533694138 /nfs/dbraw/zinc/69/41/38/533694138.db2.gz UMAPWWOHEJXVDF-UHFFFAOYSA-N 0 3 301.777 3.084 20 30 DGEDHN Fc1ccc(C#CCN2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000573409368 434896419 /nfs/dbraw/zinc/89/64/19/434896419.db2.gz UTFSBFCZUZNUKA-HXUWFJFHSA-N 0 3 320.411 3.314 20 30 DGEDHN N#Cc1csc(CN[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000492126409 434919603 /nfs/dbraw/zinc/91/96/03/434919603.db2.gz DATYWJLZJSUZFA-ZDUSSCGKSA-N 0 3 301.390 3.127 20 30 DGEDHN CC(C)c1nnc(CCNCc2ccc(C#N)cc2F)s1 ZINC000492110820 434917251 /nfs/dbraw/zinc/91/72/51/434917251.db2.gz UXGIAWAJWZVIFD-UHFFFAOYSA-N 0 3 304.394 3.005 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)C(C)(C)C#N)N(CC)CC)cc1 ZINC000554219517 434918734 /nfs/dbraw/zinc/91/87/34/434918734.db2.gz WHCKEQWBEHFGSK-KRWDZBQOSA-N 0 3 315.461 3.298 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)CCCC#N)N(CC)CC)cc1 ZINC000573034771 434870039 /nfs/dbraw/zinc/87/00/39/434870039.db2.gz MNWTUVCPRPLUNW-GOSISDBHSA-N 0 3 315.461 3.442 20 30 DGEDHN COc1cc(CN(C)[C@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000555294843 434968088 /nfs/dbraw/zinc/96/80/88/434968088.db2.gz HBFUOJYNWPVHKT-AAEUAGOBSA-N 0 3 310.344 3.421 20 30 DGEDHN CO[C@@H](Cc1ccc(F)cc1)CN(C)Cc1ccc(C#N)cc1 ZINC000528340443 435023755 /nfs/dbraw/zinc/02/37/55/435023755.db2.gz KPBFMRQYFWMBCR-IBGZPJMESA-N 0 3 312.388 3.387 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CC2(c3ccccc3)CC2)CC1 ZINC000528453830 435024279 /nfs/dbraw/zinc/02/42/79/435024279.db2.gz VTQDWQCKZMTJNG-UHFFFAOYSA-N 0 3 312.457 3.265 20 30 DGEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000528913938 435030753 /nfs/dbraw/zinc/03/07/53/435030753.db2.gz OWABDESQYCEQNY-LBPRGKRZSA-N 0 3 320.274 3.122 20 30 DGEDHN C[C@H](CCc1ccccc1)N1CCN(c2cnccc2C#N)CC1 ZINC000555650791 434982478 /nfs/dbraw/zinc/98/24/78/434982478.db2.gz QCWSOQACNGUGJN-QGZVFWFLSA-N 0 3 320.440 3.097 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(CC)CC2)CC1 ZINC000524668917 434985084 /nfs/dbraw/zinc/98/50/84/434985084.db2.gz DTNGEVIDLRSACP-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000574525444 434985655 /nfs/dbraw/zinc/98/56/55/434985655.db2.gz WGXBQYGKJNYSCY-YTQUADARSA-N 0 3 323.440 3.069 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ccsc3c2)nc(C)n1 ZINC000524760467 434990792 /nfs/dbraw/zinc/99/07/92/434990792.db2.gz RKQSGDDSKMPYHC-GFCCVEGCSA-N 0 3 308.366 3.193 20 30 DGEDHN N#CCNC(=O)CN(C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000464728960 434996223 /nfs/dbraw/zinc/99/62/23/434996223.db2.gz HMLUPESLKDZPDU-ZWKOTPCHSA-N 0 3 317.477 3.230 20 30 DGEDHN C=C[C@@H](C)NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464758660 434998480 /nfs/dbraw/zinc/99/84/80/434998480.db2.gz ZSOXGWXVKCGFJS-SJLPKXTDSA-N 0 3 315.461 3.115 20 30 DGEDHN CCCCN(CC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000527128682 435009609 /nfs/dbraw/zinc/00/96/09/435009609.db2.gz SYHLKLWNIWNPSC-MRXNPFEDSA-N 0 3 313.445 3.412 20 30 DGEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@H](CC)c1ccccc1 ZINC000527377567 435011369 /nfs/dbraw/zinc/01/13/69/435011369.db2.gz RRCSFLOQNROTMU-QGZVFWFLSA-N 0 3 313.445 3.412 20 30 DGEDHN CCC[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000466482888 435077445 /nfs/dbraw/zinc/07/74/45/435077445.db2.gz PVGVHZDEGFRLJX-OAHLLOKOSA-N 0 3 302.418 3.458 20 30 DGEDHN CCC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000466463377 435077812 /nfs/dbraw/zinc/07/78/12/435077812.db2.gz GRRXMPIKURWONR-HOTGVXAUSA-N 0 3 305.466 3.230 20 30 DGEDHN CC[C@@H](C)N(CC#Cc1ccc(OC(F)(F)F)cc1)CCO ZINC000558172083 435079344 /nfs/dbraw/zinc/07/93/44/435079344.db2.gz IODIKEGAYKEQAK-CYBMUJFWSA-N 0 3 315.335 3.030 20 30 DGEDHN CC1(C)[C@@H](NCc2ccc(C#N)cn2)C[C@@H]1OCc1ccccc1 ZINC000558246154 435081805 /nfs/dbraw/zinc/08/18/05/435081805.db2.gz KECGNIJTYUPEPQ-OALUTQOASA-N 0 3 321.424 3.427 20 30 DGEDHN COc1cccc(C[C@H]2CCCCCN2C(=O)C(C)C#N)c1 ZINC000529963686 435041594 /nfs/dbraw/zinc/04/15/94/435041594.db2.gz YEAGDKYTKMIQOC-GDBMZVCRSA-N 0 3 300.402 3.169 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000465859282 435048491 /nfs/dbraw/zinc/04/84/91/435048491.db2.gz KEAVWDWACHSLTG-SOLBZPMBSA-N 0 3 319.493 3.295 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](O)CC23CCC3)cc(OC)c1O ZINC000575792741 435052804 /nfs/dbraw/zinc/05/28/04/435052804.db2.gz PBQDSPDWVDJHLF-MRXNPFEDSA-N 0 3 317.429 3.009 20 30 DGEDHN Cc1cc(NCC2(N3CCSCC3)CCCC2)cc(C#N)n1 ZINC000557492707 435054475 /nfs/dbraw/zinc/05/44/75/435054475.db2.gz SIQDYFAGDUZYER-UHFFFAOYSA-N 0 3 316.474 3.035 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)/C=C\c1cccc(C#N)c1 ZINC000492829432 435056786 /nfs/dbraw/zinc/05/67/86/435056786.db2.gz NMKJXBXWIHTYDJ-KHPPLWFESA-N 0 3 305.381 3.272 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000466926039 435099288 /nfs/dbraw/zinc/09/92/88/435099288.db2.gz JEWRASVTEAYNEO-KRWDZBQOSA-N 0 3 303.450 3.069 20 30 DGEDHN CC[C@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467202320 435109900 /nfs/dbraw/zinc/10/99/00/435109900.db2.gz PNUUENJMZBRIPH-FZMZJTMJSA-N 0 3 305.809 3.271 20 30 DGEDHN Cc1ccc(C[C@@H](CO)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000467417304 435120567 /nfs/dbraw/zinc/12/05/67/435120567.db2.gz KIIISIAEFYJKJS-KSSFIOAISA-N 0 3 312.388 3.260 20 30 DGEDHN C=C(C)CN(CC)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000559031758 435120568 /nfs/dbraw/zinc/12/05/68/435120568.db2.gz PQZYONBGTMLQQI-PBHICJAKSA-N 0 3 304.409 3.386 20 30 DGEDHN N#Cc1cnn2cc(CNCc3cc4ccccc4s3)cnc12 ZINC000559869187 435141615 /nfs/dbraw/zinc/14/16/15/435141615.db2.gz WRTMITXXPKFKRG-UHFFFAOYSA-N 0 3 319.393 3.105 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000532124168 435141994 /nfs/dbraw/zinc/14/19/94/435141994.db2.gz BOUGWKMGQBQTPI-ZDUSSCGKSA-N 0 3 315.360 3.056 20 30 DGEDHN Cc1cc(C#N)cnc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000559929904 435142321 /nfs/dbraw/zinc/14/23/21/435142321.db2.gz RSTQVWVEKZSJQY-UHFFFAOYSA-N 0 3 319.368 3.040 20 30 DGEDHN C[C@@H]1C[C@H]1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475350713 435193239 /nfs/dbraw/zinc/19/32/39/435193239.db2.gz RIOBXEVFCUTDQM-KMFMINBZSA-N 0 3 303.837 3.178 20 30 DGEDHN Cc1cc(NC2CCN(Cc3ccccc3C)CC2)cc(C#N)n1 ZINC000561137161 435201009 /nfs/dbraw/zinc/20/10/09/435201009.db2.gz PJWDQHQSHOLINV-UHFFFAOYSA-N 0 3 320.440 3.069 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(OC)c(O)cc1Cl ZINC000639149036 435173952 /nfs/dbraw/zinc/17/39/52/435173952.db2.gz VZFTWPJRDFNVAL-MEDUHNTESA-N 0 3 311.809 3.125 20 30 DGEDHN CN(CCC(C)(C)C#N)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496532183 435222621 /nfs/dbraw/zinc/22/26/21/435222621.db2.gz YPSKCECLMTVHHP-CQSZACIVSA-N 0 3 309.454 3.161 20 30 DGEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000533280605 435223999 /nfs/dbraw/zinc/22/39/99/435223999.db2.gz IXAPEDCHRDAGTB-NUJGCVRESA-N 0 3 307.482 3.187 20 30 DGEDHN COC(C)(C)CN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000533342231 435225402 /nfs/dbraw/zinc/22/54/02/435225402.db2.gz IDRGUSZEXGSZSQ-UHFFFAOYSA-N 0 3 315.335 3.294 20 30 DGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000533425086 435235803 /nfs/dbraw/zinc/23/58/03/435235803.db2.gz LYYWUNMRDUSQKV-AWEZNQCLSA-N 0 3 318.417 3.421 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCC(C)(C)C#N)[C@@H]2C1 ZINC000496664746 435238358 /nfs/dbraw/zinc/23/83/58/435238358.db2.gz AYLDSQFKQIHVQR-LSDHHAIUSA-N 0 3 321.465 3.258 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCC2(C)C)c1 ZINC000582309977 435239498 /nfs/dbraw/zinc/23/94/98/435239498.db2.gz VLVPMEOEDDNHSQ-KRWDZBQOSA-N 0 3 313.445 3.328 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCC2(C)C)c1 ZINC000582309978 435239937 /nfs/dbraw/zinc/23/99/37/435239937.db2.gz VLVPMEOEDDNHSQ-QGZVFWFLSA-N 0 3 313.445 3.328 20 30 DGEDHN CC(=O)c1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000563546748 435267339 /nfs/dbraw/zinc/26/73/39/435267339.db2.gz BMNKRGXGGFLSON-LJQANCHMSA-N 0 3 320.392 3.278 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000496911438 435269647 /nfs/dbraw/zinc/26/96/47/435269647.db2.gz MJMSJMRIJAFEOG-JJXSEGSLSA-N 0 3 321.465 3.304 20 30 DGEDHN Cc1csc(NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000567176429 435294621 /nfs/dbraw/zinc/29/46/21/435294621.db2.gz FAPNKPBMWKMTON-YPMHNXCESA-N 0 3 320.462 3.170 20 30 DGEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000498364738 435302408 /nfs/dbraw/zinc/30/24/08/435302408.db2.gz QGSHMBJTRODVJJ-JKSUJKDBSA-N 0 3 316.445 3.102 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503180459 435305711 /nfs/dbraw/zinc/30/57/11/435305711.db2.gz NYOHBZFSEYVVKZ-MRXNPFEDSA-N 0 3 315.461 3.275 20 30 DGEDHN CC[C@@H](CN1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000506635237 435308264 /nfs/dbraw/zinc/30/82/64/435308264.db2.gz WHOUTDCDHIXJIJ-SFHVURJKSA-N 0 3 320.440 3.269 20 30 DGEDHN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C(C)C#N ZINC000479747717 435350146 /nfs/dbraw/zinc/35/01/46/435350146.db2.gz CAWFBLBCEUIJCF-YPMHNXCESA-N 0 3 323.234 3.388 20 30 DGEDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000514129250 435415882 /nfs/dbraw/zinc/41/58/82/435415882.db2.gz UVMJXMGFXAVBBC-HNNXBMFYSA-N 0 3 322.408 3.466 20 30 DGEDHN CC[C@@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(Cl)c1 ZINC000480386497 435377445 /nfs/dbraw/zinc/37/74/45/435377445.db2.gz BUBPYSNZAIGZOJ-INIZCTEOSA-N 0 3 317.820 3.497 20 30 DGEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)[C@H]2CCCC[C@@H]12 ZINC000515385289 435481289 /nfs/dbraw/zinc/48/12/89/435481289.db2.gz ZTALUIYAMUKUIM-COXVUDFISA-N 0 3 309.417 3.002 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000537225880 435432675 /nfs/dbraw/zinc/43/26/75/435432675.db2.gz RLXLTFRYZCTXNT-AEFFLSMTSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000538569639 435506693 /nfs/dbraw/zinc/50/66/93/435506693.db2.gz GHNPFNUOMGQOPN-QZTJIDSGSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000538729008 435517185 /nfs/dbraw/zinc/51/71/85/435517185.db2.gz KRFSFAIOWJWIFE-UHFFFAOYSA-N 0 3 311.385 3.203 20 30 DGEDHN C=C[C@H](CC(=O)N(CCC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000648999023 435483441 /nfs/dbraw/zinc/48/34/41/435483441.db2.gz XKEYDZXINROQTK-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000515486637 435485284 /nfs/dbraw/zinc/48/52/84/435485284.db2.gz BVVSXSCPZVPNIQ-CJNGLKHVSA-N 0 3 317.389 3.103 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000539457218 435554239 /nfs/dbraw/zinc/55/42/39/435554239.db2.gz UAHNDGWSKZXFLV-NVXWUHKLSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000539457220 435555179 /nfs/dbraw/zinc/55/51/79/435555179.db2.gz UAHNDGWSKZXFLV-WBVHZDCISA-N 0 3 303.450 3.333 20 30 DGEDHN C=C[C@@H](CC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000649354893 435568490 /nfs/dbraw/zinc/56/84/90/435568490.db2.gz VVDFEWGRPJYKPB-AWEZNQCLSA-N 0 3 307.397 3.026 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1OC ZINC000517146842 435577361 /nfs/dbraw/zinc/57/73/61/435577361.db2.gz MMTRIFGOBWSURC-MRXNPFEDSA-N 0 3 305.418 3.259 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccccc1OC(F)(F)F ZINC000539297685 435543949 /nfs/dbraw/zinc/54/39/49/435543949.db2.gz RIFBNRLGZIURGW-VXGBXAGGSA-N 0 3 303.324 3.420 20 30 DGEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1CCC1CCCC1)C1CC1 ZINC000486798103 435615926 /nfs/dbraw/zinc/61/59/26/435615926.db2.gz JOLXFNBMHQWOPO-HKUYNNGSSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000540890204 435622637 /nfs/dbraw/zinc/62/26/37/435622637.db2.gz BDEUYIREXHHOBA-LBPRGKRZSA-N 0 3 319.836 3.014 20 30 DGEDHN CC(C)[C@@H]1CN(c2ccc(Br)cc2C#N)CCN1C ZINC000487107893 435623673 /nfs/dbraw/zinc/62/36/73/435623673.db2.gz DHADHXBHODOCCG-HNNXBMFYSA-N 0 3 322.250 3.097 20 30 DGEDHN CC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCN1C ZINC000487069095 435624576 /nfs/dbraw/zinc/62/45/76/435624576.db2.gz SICDSBWZQVNZGR-OAHLLOKOSA-N 0 3 311.351 3.353 20 30 DGEDHN Cc1nc(N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488099321 435633560 /nfs/dbraw/zinc/63/35/60/435633560.db2.gz KKUDCAFOFUXBNW-CVEARBPZSA-N 0 3 320.440 3.361 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000486311327 435595858 /nfs/dbraw/zinc/59/58/58/435595858.db2.gz NKZYBPPHXHCNEI-WBVHZDCISA-N 0 3 301.434 3.039 20 30 DGEDHN Cc1nc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(Cl)cc1C#N ZINC000488742605 435641992 /nfs/dbraw/zinc/64/19/92/435641992.db2.gz FSIHJYUGUQBCGZ-XHBSWPGZSA-N 0 3 318.852 3.082 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)NC1(C2CC2)CC1 ZINC000541596084 435642673 /nfs/dbraw/zinc/64/26/73/435642673.db2.gz ZZMCLULUGMQTMG-ZDUSSCGKSA-N 0 3 304.459 3.183 20 30 DGEDHN CC(C)OC(=O)c1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000541953316 435645903 /nfs/dbraw/zinc/64/59/03/435645903.db2.gz HYPJOQSMYSRCEO-UHFFFAOYSA-N 0 3 300.402 3.377 20 30 DGEDHN Cc1ccccc1[C@@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000570843810 435656732 /nfs/dbraw/zinc/65/67/32/435656732.db2.gz UDKGOQGEKLOSKE-SFHVURJKSA-N 0 3 317.396 3.247 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(C1)CCCCC2 ZINC000519615616 435693264 /nfs/dbraw/zinc/69/32/64/435693264.db2.gz RVPQNKVPBDHJDP-SFHVURJKSA-N 0 3 315.457 3.421 20 30 DGEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000491306034 435727782 /nfs/dbraw/zinc/72/77/82/435727782.db2.gz LJLQEXRILHDOPC-VXGBXAGGSA-N 0 3 312.335 3.424 20 30 DGEDHN C#CCNC(=O)C1CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000491475619 435756829 /nfs/dbraw/zinc/75/68/29/435756829.db2.gz YIYIWFTXLMXHBH-UHFFFAOYSA-N 0 3 324.424 3.011 20 30 DGEDHN C#CCN(C)CCCNC(=S)Nc1c(C)cc(C)cc1Cl ZINC000491515109 435761879 /nfs/dbraw/zinc/76/18/79/435761879.db2.gz LUZWUJIRJXJONE-UHFFFAOYSA-N 0 3 323.893 3.198 20 30 DGEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491672740 435791692 /nfs/dbraw/zinc/79/16/92/435791692.db2.gz USYGCVZLKWMYKM-DGCLKSJQSA-N 0 3 308.809 3.067 20 30 DGEDHN C=CCC[C@H](CO)NCc1cn(-c2ccccc2Cl)nc1C ZINC000655789914 435799279 /nfs/dbraw/zinc/79/92/79/435799279.db2.gz AUQNXTXZJPPTBK-OAHLLOKOSA-N 0 3 319.836 3.251 20 30 DGEDHN CC#CC[C@@H](CO)NCc1ccc(-c2ccccc2OC)cc1 ZINC000641769397 435814979 /nfs/dbraw/zinc/81/49/79/435814979.db2.gz UUIXVMAWHMOQGD-SFHVURJKSA-N 0 3 309.409 3.226 20 30 DGEDHN C=C[C@H](CO)NCc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000641774750 435819076 /nfs/dbraw/zinc/81/90/76/435819076.db2.gz QBRAQUGDYAWMLV-MRXNPFEDSA-N 0 3 313.397 3.007 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 ZINC000491543918 435769884 /nfs/dbraw/zinc/76/98/84/435769884.db2.gz DFIGWYLGQQYYID-GQCTYLIASA-N 0 3 322.811 3.259 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000551708162 435847471 /nfs/dbraw/zinc/84/74/71/435847471.db2.gz KEWOTVGXSZJBSR-DYESRHJHSA-N 0 3 319.452 3.478 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000660867744 435911509 /nfs/dbraw/zinc/91/15/09/435911509.db2.gz FSKRBGKOIXDESH-HWMZRRJGSA-N 0 3 305.466 3.046 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000665385143 435965355 /nfs/dbraw/zinc/96/53/55/435965355.db2.gz WPZISBPCHUVGAD-ZACQAIPSSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000665391958 435967255 /nfs/dbraw/zinc/96/72/55/435967255.db2.gz OAHCVMDELDNSDK-VVLHAWIVSA-N 0 3 307.482 3.103 20 30 DGEDHN C=CCOCCN[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000656535147 435968711 /nfs/dbraw/zinc/96/87/11/435968711.db2.gz FRADGJBBBGHSGP-BRWVUGGUSA-N 0 3 307.459 3.117 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(=O)n2c(C)csc2n1 ZINC000661118105 435971785 /nfs/dbraw/zinc/97/17/85/435971785.db2.gz WOHOGQQBKVNWMT-ZFWWWQNUSA-N 0 3 317.458 3.289 20 30 DGEDHN C=C[C@H](CC(=O)N1CCNC2(CCCCC2)C1)c1ccccc1 ZINC000656364109 435939686 /nfs/dbraw/zinc/93/96/86/435939686.db2.gz CZIBHIIBXKDCLR-QGZVFWFLSA-N 0 3 312.457 3.481 20 30 DGEDHN C=CCCC1(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CCCC1 ZINC000661010273 435943718 /nfs/dbraw/zinc/94/37/18/435943718.db2.gz RFUGUTNOQWBUFQ-MRXNPFEDSA-N 0 3 319.493 3.463 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665556721 436005505 /nfs/dbraw/zinc/00/55/05/436005505.db2.gz CFTRRCOBRCZUSK-KRWDZBQOSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCN(CCCc1nc(-c2ccccc2)no1)[C@@H](C)COC ZINC000661245844 436007440 /nfs/dbraw/zinc/00/74/40/436007440.db2.gz DFBZMIMSGCUSMY-HNNXBMFYSA-N 0 3 315.417 3.192 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000661380701 436049411 /nfs/dbraw/zinc/04/94/11/436049411.db2.gz IUPWEBOOPOCAIC-KBPBESRZSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(CC)c2)CC1 ZINC000650852946 436050198 /nfs/dbraw/zinc/05/01/98/436050198.db2.gz WXUICDAFQYEVPS-UHFFFAOYSA-N 0 3 315.461 3.089 20 30 DGEDHN C=CCCNC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000665945106 436103032 /nfs/dbraw/zinc/10/30/32/436103032.db2.gz AFLOIGHCRVPAIJ-FUHWJXTLSA-N 0 3 315.461 3.430 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000656858511 436063587 /nfs/dbraw/zinc/06/35/87/436063587.db2.gz SSSWJNSLHXGZOA-UONOGXRCSA-N 0 3 303.368 3.469 20 30 DGEDHN C=CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C(C)(C)C ZINC000661756349 436179554 /nfs/dbraw/zinc/17/95/54/436179554.db2.gz LABDYEUQVYHBTI-UHFFFAOYSA-N 0 3 305.809 3.134 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1c(Br)cnn1C ZINC000657531138 436236456 /nfs/dbraw/zinc/23/64/56/436236456.db2.gz XGXKJYOKQPERDZ-DGCLKSJQSA-N 0 3 312.255 3.407 20 30 DGEDHN C=C(C)COc1cc(CN[C@H]2COC(C)(C)C2)ccc1OC ZINC000657530236 436237402 /nfs/dbraw/zinc/23/74/02/436237402.db2.gz NUUQZLAMXHKGPK-OAHLLOKOSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCc1cc(CNC2(COC)CCCC2)cc(OC)c1O ZINC000657548929 436242825 /nfs/dbraw/zinc/24/28/25/436242825.db2.gz SCYYIXPPDYNCMN-UHFFFAOYSA-N 0 3 305.418 3.178 20 30 DGEDHN C=CCCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000666384351 436210799 /nfs/dbraw/zinc/21/07/99/436210799.db2.gz PVHKATKKRFWRLQ-UHFFFAOYSA-N 0 3 317.433 3.249 20 30 DGEDHN C=CCC1(NCCS(=O)(=O)c2ccc(F)cc2)CCCC1 ZINC000661851339 436212074 /nfs/dbraw/zinc/21/20/74/436212074.db2.gz SDTGOLGLLHVJTL-UHFFFAOYSA-N 0 3 311.422 3.078 20 30 DGEDHN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@]1(C)CO ZINC000662141246 436285801 /nfs/dbraw/zinc/28/58/01/436285801.db2.gz KGEKNXXTXIXCND-XJKSGUPXSA-N 0 3 311.347 3.007 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000662077955 436265921 /nfs/dbraw/zinc/26/59/21/436265921.db2.gz GLDWLGZRGZABRX-WNRNVDISSA-N 0 3 302.462 3.351 20 30 DGEDHN C=CCOCCCNCc1ccc(OC)cc1Br ZINC000657658827 436271267 /nfs/dbraw/zinc/27/12/67/436271267.db2.gz GCGWBYUEPZONQP-UHFFFAOYSA-N 0 3 314.223 3.140 20 30 DGEDHN C=CCOCCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848063 436277930 /nfs/dbraw/zinc/27/79/30/436277930.db2.gz PLAANOJSWHISOP-UHFFFAOYSA-N 0 3 301.308 3.367 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)c1cccc2c1CNC2 ZINC000662418671 436346520 /nfs/dbraw/zinc/34/65/20/436346520.db2.gz AXMBOHURTMZSDP-UHFFFAOYSA-N 0 3 306.409 3.161 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H]1CCCn2nccc21)C(C)C ZINC000657835931 436321101 /nfs/dbraw/zinc/32/11/01/436321101.db2.gz RRZPDFDQLKAARM-SJLPKXTDSA-N 0 3 302.466 3.006 20 30 DGEDHN C=CCCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000658115809 436381114 /nfs/dbraw/zinc/38/11/14/436381114.db2.gz WLPCSYZGJDMPTB-DLBZAZTESA-N 0 3 307.459 3.246 20 30 DGEDHN C=CCOCCCN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000658207635 436401246 /nfs/dbraw/zinc/40/12/46/436401246.db2.gz VVNYIACSXXMRJZ-IBGZPJMESA-N 0 3 312.413 3.362 20 30 DGEDHN C=CCCCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000654665822 436449853 /nfs/dbraw/zinc/44/98/53/436449853.db2.gz REJZBLDQEAECLB-KRWDZBQOSA-N 0 3 307.482 3.393 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658950483 436450398 /nfs/dbraw/zinc/45/03/98/436450398.db2.gz XRMYQMFFDWMPNK-IAOVAPTHSA-N 0 3 304.409 3.071 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654730111 436460341 /nfs/dbraw/zinc/46/03/41/436460341.db2.gz ZOTRBZDSEMVXHJ-DLBZAZTESA-N 0 3 307.482 3.391 20 30 DGEDHN C=CCCC(C)(C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000663678280 436489438 /nfs/dbraw/zinc/48/94/38/436489438.db2.gz LACGGZMPSAHVMG-UHFFFAOYSA-N 0 3 303.450 3.292 20 30 DGEDHN Cc1cc(CNC[C@@H](c2cccc(F)c2)N(C)C)ccc1C#N ZINC000443980655 533698803 /nfs/dbraw/zinc/69/88/03/533698803.db2.gz DIDVDFAFHVAFAC-IBGZPJMESA-N 0 3 311.404 3.398 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc1 ZINC000134304554 312688861 /nfs/dbraw/zinc/68/88/61/312688861.db2.gz CTHJAYYIZLPUNA-QGZVFWFLSA-N 0 3 324.403 3.159 20 30 DGEDHN C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1nccn1C ZINC000539261365 313905112 /nfs/dbraw/zinc/90/51/12/313905112.db2.gz NYQBIMOVJKVKRP-OOHWJJMZSA-N 0 3 324.428 3.333 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2cccs2)C2CC2)c1 ZINC000539369303 313909456 /nfs/dbraw/zinc/90/94/56/313909456.db2.gz GXHPBPXNVOGTDG-QGZVFWFLSA-N 0 3 311.410 3.299 20 30 DGEDHN CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543034236 314110401 /nfs/dbraw/zinc/11/04/01/314110401.db2.gz GGLIQICUEHXHML-HUUCEWRRSA-N 0 3 321.424 3.400 20 30 DGEDHN N#Cc1ccc(NC(=O)CN[C@H](c2cccs2)C2CC2)cc1 ZINC000544397983 314190188 /nfs/dbraw/zinc/19/01/88/314190188.db2.gz WMBUARNGPDXABZ-KRWDZBQOSA-N 0 3 311.410 3.299 20 30 DGEDHN CC(C)n1cc([C@H](C)NCCCOc2cccc(C#N)c2)cn1 ZINC000544469535 314194997 /nfs/dbraw/zinc/19/49/97/314194997.db2.gz PJHPNYBZPPDPLW-HNNXBMFYSA-N 0 3 312.417 3.455 20 30 DGEDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1ccc(C#N)cn1 ZINC000558246156 314834807 /nfs/dbraw/zinc/83/48/07/314834807.db2.gz KECGNIJTYUPEPQ-RBUKOAKNSA-N 0 3 321.424 3.427 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1COc3cc(F)ccc3C1)CC2 ZINC000563445182 315116238 /nfs/dbraw/zinc/11/62/38/315116238.db2.gz ZERVUPAWQPFCIM-FUHWJXTLSA-N 0 3 308.356 3.278 20 30 DGEDHN Cc1csc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1C#N ZINC000565161723 315236241 /nfs/dbraw/zinc/23/62/41/315236241.db2.gz KCFMTPCOJBPKRV-DGCLKSJQSA-N 0 3 320.462 3.170 20 30 DGEDHN Cc1csc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000565163660 315236689 /nfs/dbraw/zinc/23/66/89/315236689.db2.gz QXJRGAWJLGFSTQ-CHWSQXEVSA-N 0 3 318.446 3.019 20 30 DGEDHN Cc1ncncc1[C@@H](C)NCCSCc1ccccc1C#N ZINC000565433346 315260929 /nfs/dbraw/zinc/26/09/29/315260929.db2.gz PBGXZMRLVPDJJZ-CYBMUJFWSA-N 0 3 312.442 3.241 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)c(F)c1 ZINC000566719184 315369682 /nfs/dbraw/zinc/36/96/82/315369682.db2.gz WEVOIWBJKVIWOH-FUHWJXTLSA-N 0 3 311.360 3.102 20 30 DGEDHN Cc1cc(CNCc2ccc(CN(C)C)c(F)c2)ccc1C#N ZINC000443996804 533705501 /nfs/dbraw/zinc/70/55/01/533705501.db2.gz KEZKJTUPTJWSOM-UHFFFAOYSA-N 0 3 311.404 3.357 20 30 DGEDHN COc1ccc(F)cc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000179957608 323218267 /nfs/dbraw/zinc/21/82/67/323218267.db2.gz KOIAVIVVEJMBRP-ZDUSSCGKSA-N 0 3 314.360 3.436 20 30 DGEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000180453964 323229930 /nfs/dbraw/zinc/22/99/30/323229930.db2.gz FPCQUPQDMAEYPE-CYBMUJFWSA-N 0 3 311.341 3.196 20 30 DGEDHN C[C@@H](NC[C@H](CO)Cc1ccco1)c1ccc(C#N)cc1Cl ZINC000578829463 323786747 /nfs/dbraw/zinc/78/67/47/323786747.db2.gz RRGHQFHUYCKGNK-TZMCWYRMSA-N 0 3 318.804 3.306 20 30 DGEDHN Cc1cc(CNCc2ccc(-n3ccnc3)c(F)c2)ccc1C#N ZINC000443981998 533706873 /nfs/dbraw/zinc/70/68/73/533706873.db2.gz UOLPTDAWJYXIST-UHFFFAOYSA-N 0 3 320.371 3.481 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000292885394 335097194 /nfs/dbraw/zinc/09/71/94/335097194.db2.gz TURSAXQJLQNBFO-HNNXBMFYSA-N 0 3 315.461 3.326 20 30 DGEDHN C=CCC(F)(F)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000292917053 335097872 /nfs/dbraw/zinc/09/78/72/335097872.db2.gz BDVPCCALKNQCCZ-CYBMUJFWSA-N 0 3 310.388 3.443 20 30 DGEDHN C=CCC(F)(F)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000559935630 332295205 /nfs/dbraw/zinc/29/52/05/332295205.db2.gz WUYUHDSYIOTTOX-UHFFFAOYSA-N 0 3 323.343 3.345 20 30 DGEDHN COc1ccc([C@@H](CCC#N)NC[C@@H]2CC23CCOCC3)cc1 ZINC000562499065 332598903 /nfs/dbraw/zinc/59/89/03/332598903.db2.gz WDBZWOHDNUQAJS-FUHWJXTLSA-N 0 3 314.429 3.446 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000497244385 333226884 /nfs/dbraw/zinc/22/68/84/333226884.db2.gz JBUFNBVEIFBTMT-UKRRQHHQSA-N 0 3 307.438 3.010 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000497309232 333234759 /nfs/dbraw/zinc/23/47/59/333234759.db2.gz YWFWQEAWFLKUJF-CVEARBPZSA-N 0 3 318.417 3.467 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000188220997 333361171 /nfs/dbraw/zinc/36/11/71/333361171.db2.gz NKHVQRUGAAZAKG-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(C(C)(C)C)CC2)CC1 ZINC000534716931 334331937 /nfs/dbraw/zinc/33/19/37/334331937.db2.gz XVSPAUOHSIRFKM-UHFFFAOYSA-N 0 3 319.493 3.415 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](CC)Cc1ccccc1 ZINC000303932658 334346252 /nfs/dbraw/zinc/34/62/52/334346252.db2.gz QYZIAAPVZHBJBZ-SFHVURJKSA-N 0 3 302.462 3.364 20 30 DGEDHN C=C(C)[C@H](CC(=O)N1CCN(CC2CCCCC2)CC1)OCC ZINC000535205268 334380195 /nfs/dbraw/zinc/38/01/95/334380195.db2.gz GYSZBNCSWHDQTK-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN CCCCCCCC[C@@H](O)CCC(=O)N1CCCN(C)CC1 ZINC000375007522 337001533 /nfs/dbraw/zinc/00/15/33/337001533.db2.gz CVCQAFYYXWGBIQ-QGZVFWFLSA-N 0 3 312.498 3.042 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(C)c3ncccc23)CC1 ZINC000173117548 337134193 /nfs/dbraw/zinc/13/41/93/337134193.db2.gz NQJUQGGTSSLVSM-UHFFFAOYSA-N 0 3 321.424 3.135 20 30 DGEDHN CN(C)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1c(F)cccc1F ZINC000248948797 337568891 /nfs/dbraw/zinc/56/88/91/337568891.db2.gz ZPGBQIKQBSMXBZ-XJKCOSOUSA-N 0 3 307.388 3.239 20 30 DGEDHN N#CC1(NC(=O)CN[C@@H](c2ccccc2)C2CCCC2)CCC1 ZINC000527128176 337732582 /nfs/dbraw/zinc/73/25/82/337732582.db2.gz KUCSBYJXLAUAQT-SFHVURJKSA-N 0 3 311.429 3.070 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000106327802 337816176 /nfs/dbraw/zinc/81/61/76/337816176.db2.gz YYOSKSGRFPMDTO-ZMSDIMECSA-N 0 3 307.482 3.151 20 30 DGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000498910169 340025717 /nfs/dbraw/zinc/02/57/17/340025717.db2.gz CPMIEZWPORYCPG-HUUCEWRRSA-N 0 3 324.390 3.471 20 30 DGEDHN C=CCCCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000500768731 340066815 /nfs/dbraw/zinc/06/68/15/340066815.db2.gz HPUDKDLWNGHIJE-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508869973 340254780 /nfs/dbraw/zinc/25/47/80/340254780.db2.gz JQFHJIMOPXNDEC-SJLPKXTDSA-N 0 3 315.461 3.370 20 30 DGEDHN C=C(C)CCN1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000509344237 340266817 /nfs/dbraw/zinc/26/68/17/340266817.db2.gz NWHAPWVTGXNWLC-UHFFFAOYSA-N 0 3 308.429 3.232 20 30 DGEDHN C=CCOc1cccc(NC(=O)NCCN2CCCCCC2)c1 ZINC000510746558 340309394 /nfs/dbraw/zinc/30/93/94/340309394.db2.gz BTBCIHDDNGREAB-UHFFFAOYSA-N 0 3 317.433 3.249 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)C2CCCCC2)CC1 ZINC000511444808 340327431 /nfs/dbraw/zinc/32/74/31/340327431.db2.gz MHLINOGWRYDKKJ-OAHLLOKOSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCOc1ccc(CNCc2cnc3cc(C)ccn23)cc1 ZINC000512500993 340364370 /nfs/dbraw/zinc/36/43/70/340364370.db2.gz BTOIFQDGTLJWAS-UHFFFAOYSA-N 0 3 307.397 3.497 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000176598790 340429064 /nfs/dbraw/zinc/42/90/64/340429064.db2.gz AAGKKDSEQUFOTM-RDJZCZTQSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C(C)CN(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000182872482 340485722 /nfs/dbraw/zinc/48/57/22/340485722.db2.gz APQBEAHCWYYACB-HNNXBMFYSA-N 0 3 303.450 3.333 20 30 DGEDHN C=CCOc1cccc(CN[C@H](CO)Cc2ccc(C)cc2)c1 ZINC000188988336 340524041 /nfs/dbraw/zinc/52/40/41/340524041.db2.gz ZLIQQBHBKUORSD-IBGZPJMESA-N 0 3 311.425 3.253 20 30 DGEDHN CCC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000193632063 340580665 /nfs/dbraw/zinc/58/06/65/340580665.db2.gz WMWSQIRWFODVCD-QGZVFWFLSA-N 0 3 313.445 3.460 20 30 DGEDHN Cn1cc(CN2CCC(CC#N)CC2)c(-c2cccs2)n1 ZINC000540995355 340955097 /nfs/dbraw/zinc/95/50/97/340955097.db2.gz MCNDJMRBMIAEFV-UHFFFAOYSA-N 0 3 300.431 3.274 20 30 DGEDHN COC(=O)c1cc2cc(CN3CCC(CC#N)CC3)ccc2o1 ZINC000541948243 340990871 /nfs/dbraw/zinc/99/08/71/340990871.db2.gz FEFBLZYDDGIHPZ-UHFFFAOYSA-N 0 3 312.369 3.345 20 30 DGEDHN N#CCCN(C(=O)CNC1(C2CC2)CC1)c1cccc(Cl)c1 ZINC000542524893 341012207 /nfs/dbraw/zinc/01/22/07/341012207.db2.gz DUPLYADWTVGTJD-UHFFFAOYSA-N 0 3 317.820 3.119 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000547665121 341226271 /nfs/dbraw/zinc/22/62/71/341226271.db2.gz RSDMMFRMDZBAGF-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCSc1ccccc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000547946549 341239980 /nfs/dbraw/zinc/23/99/80/341239980.db2.gz RHXSMGYKHMRZJG-HNNXBMFYSA-N 0 3 316.470 3.275 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C#N)c(Cl)c2)nc(C)n1 ZINC000547975669 341241566 /nfs/dbraw/zinc/24/15/66/341241566.db2.gz DPSSOUWZJSJGDX-ZDUSSCGKSA-N 0 3 310.744 3.109 20 30 DGEDHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(SCC#N)c1 ZINC000079532484 341260800 /nfs/dbraw/zinc/26/08/00/341260800.db2.gz XXGHPFXCHLKMBG-OAHLLOKOSA-N 0 3 319.474 3.008 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1CCSCC1)C(C)C ZINC000137297084 341274033 /nfs/dbraw/zinc/27/40/33/341274033.db2.gz YWPFMZTXVLYBJV-KRWDZBQOSA-N 0 3 324.534 3.335 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[C@H]1O ZINC000246479583 341350321 /nfs/dbraw/zinc/35/03/21/341350321.db2.gz JRGVLXNSDKQNKG-GDBMZVCRSA-N 0 3 311.347 3.150 20 30 DGEDHN Cc1ccc(C(=O)NC2CCN(CCC(C)(C)C#N)CC2)s1 ZINC000157862190 341647064 /nfs/dbraw/zinc/64/70/64/341647064.db2.gz BBZSMPQKLDPJJC-UHFFFAOYSA-N 0 3 319.474 3.191 20 30 DGEDHN N#CCCCOc1cccc(CNCCOC2CCCC2)c1 ZINC000171246684 341774711 /nfs/dbraw/zinc/77/47/11/341774711.db2.gz DQVAEXIQOOICSY-UHFFFAOYSA-N 0 3 302.418 3.418 20 30 DGEDHN C[C@H](CCC#N)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000351327453 533787802 /nfs/dbraw/zinc/78/78/02/533787802.db2.gz LMCBGKLKJYWIQO-CYBMUJFWSA-N 0 3 311.389 3.003 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001100719958 1180964676 /nfs/dbraw/zinc/96/46/76/1180964676.db2.gz AOGULHZATXGVGO-YMAMQOFZSA-N 0 3 300.874 3.296 20 30 DGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000185798920 534000519 /nfs/dbraw/zinc/00/05/19/534000519.db2.gz CQYCDGFSOAFVFM-DZKIICNBSA-N 0 3 313.401 3.376 20 30 DGEDHN C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435126615 534041889 /nfs/dbraw/zinc/04/18/89/534041889.db2.gz ORXRLJVXYBFAHF-CVEARBPZSA-N 0 3 323.444 3.337 20 30 DGEDHN COc1ccc(OC(F)F)c(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185857066 534218983 /nfs/dbraw/zinc/21/89/83/534218983.db2.gz ISLQLVZCUKUZCG-YPMHNXCESA-N 0 3 310.344 3.469 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000345839026 534283587 /nfs/dbraw/zinc/28/35/87/534283587.db2.gz IMUJVGDFLQLKDI-KGLIPLIRSA-N 0 3 321.380 3.276 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000348728354 534283713 /nfs/dbraw/zinc/28/37/13/534283713.db2.gz KQXNOVCTDZXGFY-WBMJQRKESA-N 0 3 313.788 3.295 20 30 DGEDHN Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CC=CCC2)c(C#N)c1C ZINC000330813462 534549038 /nfs/dbraw/zinc/54/90/38/534549038.db2.gz CKKICCFWXJSPDK-HIFRSBDPSA-N 0 3 315.417 3.383 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000449549524 534573847 /nfs/dbraw/zinc/57/38/47/534573847.db2.gz YSWLREURBZJOEH-UXHICEINSA-N 0 3 324.424 3.484 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC(F)(F)F)c1 ZINC000449547882 534575551 /nfs/dbraw/zinc/57/55/51/534575551.db2.gz KIYCJDJPIKVOAD-KGLIPLIRSA-N 0 3 301.308 3.408 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000449523838 534609292 /nfs/dbraw/zinc/60/92/92/534609292.db2.gz YUXDSTIUJRDQQS-KGLIPLIRSA-N 0 3 311.809 3.180 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000472763419 534685706 /nfs/dbraw/zinc/68/57/06/534685706.db2.gz ANKMHNDORQVTFE-FUHWJXTLSA-N 0 3 315.461 3.162 20 30 DGEDHN C=C[C@H]1CCCCN1CCC(=O)N1CCc2sccc2C1 ZINC000489478419 534696064 /nfs/dbraw/zinc/69/60/64/534696064.db2.gz NIZJTARIDTUJCO-HNNXBMFYSA-N 0 3 304.459 3.063 20 30 DGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1cc(C)ccc1Cl ZINC000489401178 534694915 /nfs/dbraw/zinc/69/49/15/534694915.db2.gz ILCUQWWXRGEMBV-GJZGRUSLSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCCCC[C@@H](C)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000449186186 534695507 /nfs/dbraw/zinc/69/55/07/534695507.db2.gz IWXSDROUFNRJPZ-CQSZACIVSA-N 0 3 313.438 3.324 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCCNc2cccc(Br)c2)C1 ZINC000442880740 534755422 /nfs/dbraw/zinc/75/54/22/534755422.db2.gz XYZHJQRDLXKKKJ-SMDDNHRTSA-N 0 3 308.223 3.143 20 30 DGEDHN C=CCC[C@@H](NCC1CCN(C(=O)OC)CC1)c1ccco1 ZINC000495618927 534797051 /nfs/dbraw/zinc/79/70/51/534797051.db2.gz NNPXYDLQNXOMAM-OAHLLOKOSA-N 0 3 306.406 3.355 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1=O ZINC000451354785 534852351 /nfs/dbraw/zinc/85/23/51/534852351.db2.gz ODUHYAAXDBKSOZ-CVEARBPZSA-N 0 3 322.811 3.307 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](N(CCC(C)(C)C#N)C2CC2)C1 ZINC000494605632 534859402 /nfs/dbraw/zinc/85/94/02/534859402.db2.gz CKZXOYRUSJCCSH-HNNXBMFYSA-N 0 3 321.465 3.400 20 30 DGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000339084259 534863915 /nfs/dbraw/zinc/86/39/15/534863915.db2.gz IXTOCWZZJQKFKF-TVYUQYBPSA-N 0 3 314.355 3.405 20 30 DGEDHN C=CCN(CCC(C)(C)C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000345717963 526273669 /nfs/dbraw/zinc/27/36/69/526273669.db2.gz VDAXIMFQQUWPKN-OAHLLOKOSA-N 0 3 324.432 3.151 20 30 DGEDHN C=CCN(CCC(=O)Nc1cccnc1)Cc1cccs1 ZINC000358273912 526273754 /nfs/dbraw/zinc/27/37/54/526273754.db2.gz MARHRJOKCOVRLH-UHFFFAOYSA-N 0 3 301.415 3.160 20 30 DGEDHN CC#CCCN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000360474430 526308903 /nfs/dbraw/zinc/30/89/03/526308903.db2.gz PDRLYURNQCAJIA-MRXNPFEDSA-N 0 3 300.450 3.445 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000339078981 526325521 /nfs/dbraw/zinc/32/55/21/526325521.db2.gz NKWUYYSXNWCYCZ-KRWDZBQOSA-N 0 3 303.377 3.053 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358109951 526370822 /nfs/dbraw/zinc/37/08/22/526370822.db2.gz JMFVLHHAZAUBOM-CQSZACIVSA-N 0 3 319.474 3.096 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc3[nH]ccc3cc2C)CC1 ZINC000444971485 526441596 /nfs/dbraw/zinc/44/15/96/526441596.db2.gz YJWRQDFYDFIAMR-UHFFFAOYSA-N 0 3 312.417 3.248 20 30 DGEDHN C=CCN1CCC(NC(=O)c2sc(CC(C)C)nc2C)CC1 ZINC000357824028 526451644 /nfs/dbraw/zinc/45/16/44/526451644.db2.gz WMHFZYGZDGQEMZ-UHFFFAOYSA-N 0 3 321.490 3.030 20 30 DGEDHN C=CCN1CC[C@@H](N(Cc2ccc(F)cc2)C(C)(C)C)C1=O ZINC000337166290 526475027 /nfs/dbraw/zinc/47/50/27/526475027.db2.gz ZJCXTZVSVXCEKN-MRXNPFEDSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H]2CC[C@](C)(c3ccccc3)C2)C1=O ZINC000343598947 526503052 /nfs/dbraw/zinc/50/30/52/526503052.db2.gz GHBGMEHYMPHGDY-BJLQDIEVSA-N 0 3 312.457 3.216 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H](C)CCSc2ccccc2)C1=O ZINC000337232873 526503378 /nfs/dbraw/zinc/50/33/78/526503378.db2.gz VYBDGFLHOYHFDP-WBVHZDCISA-N 0 3 318.486 3.276 20 30 DGEDHN CC(C)(C)OCc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354476585 526563903 /nfs/dbraw/zinc/56/39/03/526563903.db2.gz ZJAXJPIMIKLEHQ-HNNXBMFYSA-N 0 3 309.369 3.282 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cc(C)nc2Cl)CC1 ZINC000181957553 526598580 /nfs/dbraw/zinc/59/85/80/526598580.db2.gz SLVBNKSUHPYWEP-UHFFFAOYSA-N 0 3 321.852 3.122 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc3ncccc32)CC1 ZINC000106037450 526601096 /nfs/dbraw/zinc/60/10/96/526601096.db2.gz QXZNSAPNXAWQCD-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCNC(=O)NC[C@H](c1ccc(CC)cc1)N(CC)CC ZINC000430921898 526613625 /nfs/dbraw/zinc/61/36/25/526613625.db2.gz VPPKHKZLOHQUOM-QGZVFWFLSA-N 0 3 303.450 3.117 20 30 DGEDHN C=C(C)CN[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000341623565 526625974 /nfs/dbraw/zinc/62/59/74/526625974.db2.gz LFVHTJOQQVFVJW-KRWDZBQOSA-N 0 3 316.445 3.305 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000351148542 526632017 /nfs/dbraw/zinc/63/20/17/526632017.db2.gz SVIHXGOPJGRKDB-LSDHHAIUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000352224175 526632983 /nfs/dbraw/zinc/63/29/83/526632983.db2.gz ZMUVWCZOENHSCJ-LPHOPBHVSA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(C)CC[C@@H]2C)ccc1OC ZINC000353461663 526659450 /nfs/dbraw/zinc/65/94/50/526659450.db2.gz NDVGZASHIFUBJW-INIZCTEOSA-N 0 3 318.461 3.176 20 30 DGEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000185793265 526667755 /nfs/dbraw/zinc/66/77/55/526667755.db2.gz QTRWWSZCEFBUGW-FUHWJXTLSA-N 0 3 312.457 3.205 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000362272095 526689111 /nfs/dbraw/zinc/68/91/11/526689111.db2.gz AIUKRNJOXJRJQW-LJQANCHMSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCOCCCC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000359813127 526729164 /nfs/dbraw/zinc/72/91/64/526729164.db2.gz XCBGBOITMXAGMX-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=C(CC)CN1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000358494263 526852894 /nfs/dbraw/zinc/85/28/94/526852894.db2.gz FDMCHKGSOMEXEX-HNNXBMFYSA-N 0 3 323.506 3.324 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C(=O)NCC)C(C)C)cc1Cl ZINC000339428771 526888175 /nfs/dbraw/zinc/88/81/75/526888175.db2.gz NQTNJRLFBSGAND-MRXNPFEDSA-N 0 3 324.852 3.155 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CCO[C@H]2c2cccnc2)cc1 ZINC000343403903 526890324 /nfs/dbraw/zinc/89/03/24/526890324.db2.gz YNDBMWSKIOBUSR-OALUTQOASA-N 0 3 310.397 3.266 20 30 DGEDHN C=C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@@H]2C(F)(F)F)CC1 ZINC000339987448 526896577 /nfs/dbraw/zinc/89/65/77/526896577.db2.gz VGKASHQHMIVHQJ-OLZOCXBDSA-N 0 3 318.383 3.074 20 30 DGEDHN C=C1CCN(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000342187665 526902609 /nfs/dbraw/zinc/90/26/09/526902609.db2.gz WGURFTLSFAUDEO-WMLDXEAASA-N 0 3 309.837 3.431 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2NCC)CC1 ZINC000183185571 526932078 /nfs/dbraw/zinc/93/20/78/526932078.db2.gz WIIZIULRRSPEJD-UHFFFAOYSA-N 0 3 319.836 3.056 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000348165544 526982232 /nfs/dbraw/zinc/98/22/32/526982232.db2.gz JMEFZQISIYKEPZ-ZDUSSCGKSA-N 0 3 306.837 3.243 20 30 DGEDHN C=CC1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000348161970 526983850 /nfs/dbraw/zinc/98/38/50/526983850.db2.gz BQXVRIJUPJWMQR-KOHRHEQBSA-N 0 3 317.477 3.204 20 30 DGEDHN C=CCSCCN[C@H](C)c1sc(CCOC)nc1C ZINC000180459979 527006800 /nfs/dbraw/zinc/00/68/00/527006800.db2.gz NZCLNWNOKFKSKJ-LLVKDONJSA-N 0 3 300.493 3.210 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347761581 527047924 /nfs/dbraw/zinc/04/79/24/527047924.db2.gz UCCHBHCVFYYEHC-MSOLQXFVSA-N 0 3 315.461 3.305 20 30 DGEDHN C=CC[C@@H](CO)CN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000341892982 527082398 /nfs/dbraw/zinc/08/23/98/527082398.db2.gz XLNHCWONVIDTNW-IUODEOHRSA-N 0 3 317.351 3.167 20 30 DGEDHN C#CCOc1ccc(CNCc2ccccc2-n2cccn2)cc1 ZINC000172117061 527104764 /nfs/dbraw/zinc/10/47/64/527104764.db2.gz XLMXRWLCFXLWFT-UHFFFAOYSA-N 0 3 317.392 3.174 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)c(OC)c(OCC)c1 ZINC000341326363 527186004 /nfs/dbraw/zinc/18/60/04/527186004.db2.gz WTANMOUDPYUJFJ-LBPRGKRZSA-N 0 3 313.825 3.022 20 30 DGEDHN CC(C)(CO)[C@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000429715743 527219206 /nfs/dbraw/zinc/21/92/06/527219206.db2.gz JCJJXNCVGOFMOO-LJQANCHMSA-N 0 3 324.424 3.286 20 30 DGEDHN CC(=O)c1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1O ZINC000331232136 527220719 /nfs/dbraw/zinc/22/07/19/527220719.db2.gz ISLBEWPPUOUDNC-OLZOCXBDSA-N 0 3 318.417 3.020 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](Cc1ccccc1)N(C)C ZINC000302131339 527232260 /nfs/dbraw/zinc/23/22/60/527232260.db2.gz YFXLSYYOJHPQQP-SFHVURJKSA-N 0 3 321.424 3.346 20 30 DGEDHN C=CCCCN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000429036191 527236031 /nfs/dbraw/zinc/23/60/31/527236031.db2.gz PBQSZPKWHXUKKC-CYBMUJFWSA-N 0 3 302.187 3.177 20 30 DGEDHN C=CCc1cc(CNCCc2nc(C)oc2C)cc(OC)c1O ZINC000346821341 527242227 /nfs/dbraw/zinc/24/22/27/527242227.db2.gz HPUNGCFVEKXINL-UHFFFAOYSA-N 0 3 316.401 3.066 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000343811363 527285529 /nfs/dbraw/zinc/28/55/29/527285529.db2.gz HRYZVVKYXWRAFS-HNNXBMFYSA-N 0 3 307.438 3.098 20 30 DGEDHN C=CCCN(C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433252094 527324165 /nfs/dbraw/zinc/32/41/65/527324165.db2.gz LOTQWQNTQVVNLT-CQSZACIVSA-N 0 3 323.234 3.062 20 30 DGEDHN C=CCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000132659052 527325377 /nfs/dbraw/zinc/32/53/77/527325377.db2.gz GSHCEOYDMAAQDN-UHFFFAOYSA-N 0 3 307.825 3.456 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758644 527382581 /nfs/dbraw/zinc/38/25/81/527382581.db2.gz SKXMASCJWUAKTQ-BBRMVZONSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758647 527384071 /nfs/dbraw/zinc/38/40/71/527384071.db2.gz SKXMASCJWUAKTQ-XJKSGUPXSA-N 0 3 324.852 3.040 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000359537575 527386377 /nfs/dbraw/zinc/38/63/77/527386377.db2.gz GQRFMEKWZALGGI-HUUCEWRRSA-N 0 3 315.417 3.126 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000356256775 527387097 /nfs/dbraw/zinc/38/70/97/527387097.db2.gz PTRMPUIXOULGHH-YJBOKZPZSA-N 0 3 311.429 3.095 20 30 DGEDHN C=C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338052345 527407434 /nfs/dbraw/zinc/40/74/34/527407434.db2.gz UGQWWPJOWQMUML-WBVHZDCISA-N 0 3 315.461 3.161 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)CC1CCN(C)CC1)c1ccccc1 ZINC000129671996 527419092 /nfs/dbraw/zinc/41/90/92/527419092.db2.gz NPBAMYVFRLEEGC-KRWDZBQOSA-N 0 3 300.446 3.147 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000290361326 527438650 /nfs/dbraw/zinc/43/86/50/527438650.db2.gz MTYDCEOCFIPCCF-UHFFFAOYSA-N 0 3 321.424 3.488 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444717808 527461141 /nfs/dbraw/zinc/46/11/41/527461141.db2.gz NJRSRPXLXKDNNG-OLZOCXBDSA-N 0 3 306.372 3.342 20 30 DGEDHN CC(C)(C#N)CCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000174830996 527462472 /nfs/dbraw/zinc/46/24/72/527462472.db2.gz RTIOBQBBCGQIOU-UHFFFAOYSA-N 0 3 319.474 3.226 20 30 DGEDHN C=CCC[C@H](NCC(=O)N[C@H](C(C)=O)C(C)C)c1ccccc1 ZINC000341940936 527482814 /nfs/dbraw/zinc/48/28/14/527482814.db2.gz HSSRJHOARBSTPA-HKUYNNGSSA-N 0 3 316.445 3.013 20 30 DGEDHN C=CCC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000180037082 527482951 /nfs/dbraw/zinc/48/29/51/527482951.db2.gz LAPUSRYGKGHBRA-PKOBYXMFSA-N 0 3 311.429 3.092 20 30 DGEDHN C=CCC[C@H](NCCc1nnnn1-c1ccccc1)c1ccco1 ZINC000353600902 527484470 /nfs/dbraw/zinc/48/44/70/527484470.db2.gz ZQKFFVKHOXISNI-INIZCTEOSA-N 0 3 323.400 3.095 20 30 DGEDHN C=CCC[C@H](O)CN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000178066559 527489724 /nfs/dbraw/zinc/48/97/24/527489724.db2.gz HIRGCKJEPVEBTL-KRWDZBQOSA-N 0 3 303.446 3.474 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N(C)CCN(C)C1CC1 ZINC000337608914 527505399 /nfs/dbraw/zinc/50/53/99/527505399.db2.gz SIRYBZCWVIJDAG-UHFFFAOYSA-N 0 3 301.434 3.363 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000357889178 527540740 /nfs/dbraw/zinc/54/07/40/527540740.db2.gz YMVFIKLWOSDIBL-DOTOQJQBSA-N 0 3 313.445 3.009 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(Br)s1 ZINC000429702952 527572352 /nfs/dbraw/zinc/57/23/52/527572352.db2.gz PGXFLBDNEQWFNQ-UHFFFAOYSA-N 0 3 317.296 3.450 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000134903035 527609715 /nfs/dbraw/zinc/60/97/15/527609715.db2.gz GUGAEJRKNSHUCJ-LJQANCHMSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CCc1cccs1 ZINC000343575524 527632475 /nfs/dbraw/zinc/63/24/75/527632475.db2.gz GFPWNXANMZNVQB-HNNXBMFYSA-N 0 3 306.475 3.202 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C)cn1)C(C)C ZINC000345231676 527650344 /nfs/dbraw/zinc/65/03/44/527650344.db2.gz GHAHQOLNNHMFNU-MRXNPFEDSA-N 0 3 316.449 3.210 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1snc(C)c1C#N)C(C)C ZINC000339970540 527650707 /nfs/dbraw/zinc/65/07/07/527650707.db2.gz JFTWMSYPTHFTDI-OAHLLOKOSA-N 0 3 304.463 3.434 20 30 DGEDHN CC(C)(C)C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346943623 527701943 /nfs/dbraw/zinc/70/19/43/527701943.db2.gz LGVIHLLSYQLVRT-INIZCTEOSA-N 0 3 313.445 3.316 20 30 DGEDHN CCC[C@@H]1CN(CCCCC(C)(C)C#N)CCN1CCOC ZINC000444685638 527785692 /nfs/dbraw/zinc/78/56/92/527785692.db2.gz AVNMWLWVTYJIEO-QGZVFWFLSA-N 0 3 309.498 3.139 20 30 DGEDHN CCN(CC(C)C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343602562 527962795 /nfs/dbraw/zinc/96/27/95/527962795.db2.gz RPSZGEPDRHUAKH-UPTPFMHGSA-N 0 3 307.482 3.284 20 30 DGEDHN CCCN(Cc1ccccc1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000356136441 528147095 /nfs/dbraw/zinc/14/70/95/528147095.db2.gz XRIWCYGWHQUFCW-VQIMIIECSA-N 0 3 315.461 3.342 20 30 DGEDHN CCN(CC)c1ccc(CNCc2ccc(C#N)c(C)c2)cn1 ZINC000443966780 528307114 /nfs/dbraw/zinc/30/71/14/528307114.db2.gz NWXZLYBNTZHLRE-UHFFFAOYSA-N 0 3 308.429 3.398 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000340184263 528358663 /nfs/dbraw/zinc/35/86/63/528358663.db2.gz RROWDYLOAXIANH-SFHVURJKSA-N 0 3 313.445 3.018 20 30 DGEDHN CCN(CCCC(C)(C)C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000174856761 528430878 /nfs/dbraw/zinc/43/08/78/528430878.db2.gz YMUPWVCABCWQMI-KRWDZBQOSA-N 0 3 313.445 3.444 20 30 DGEDHN CCN(CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000171251182 528497483 /nfs/dbraw/zinc/49/74/83/528497483.db2.gz XJJJAVYFDOLBHU-UHFFFAOYSA-N 0 3 314.433 3.094 20 30 DGEDHN CCN(CCN[C@@H](C)c1ccc(C#N)cc1)CCC(F)(F)F ZINC000426082625 528513168 /nfs/dbraw/zinc/51/31/68/528513168.db2.gz ZRKIUIMKPKRFHB-ZDUSSCGKSA-N 0 3 313.367 3.483 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000181656537 528625612 /nfs/dbraw/zinc/62/56/12/528625612.db2.gz BCKLNLWNHKKZSU-HOTGVXAUSA-N 0 3 323.440 3.499 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000181656585 528626743 /nfs/dbraw/zinc/62/67/43/528626743.db2.gz BCKLNLWNHKKZSU-JKSUJKDBSA-N 0 3 323.440 3.499 20 30 DGEDHN CCOCCOCc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442714397 528811609 /nfs/dbraw/zinc/81/16/09/528811609.db2.gz LHMJGOINALYDHT-YJBOKZPZSA-N 0 3 302.418 3.022 20 30 DGEDHN CCN(Cc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279512570 528827371 /nfs/dbraw/zinc/82/73/71/528827371.db2.gz RUAGILRITVOZGQ-IBGZPJMESA-N 0 3 317.392 3.289 20 30 DGEDHN CCCC[C@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000352405443 528892457 /nfs/dbraw/zinc/89/24/57/528892457.db2.gz ATFRUYOUEBVQDA-INIZCTEOSA-N 0 3 301.434 3.444 20 30 DGEDHN CC1(C)CCCN(CCNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000432176544 528938590 /nfs/dbraw/zinc/93/85/90/528938590.db2.gz ZHAIQVWDHCCWJH-UHFFFAOYSA-N 0 3 302.378 3.000 20 30 DGEDHN CCOC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433366624 529017538 /nfs/dbraw/zinc/01/75/38/529017538.db2.gz ZQLOFJZXBCRSED-ZWKOTPCHSA-N 0 3 314.429 3.034 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000346542012 529199320 /nfs/dbraw/zinc/19/93/20/529199320.db2.gz NJYPMECYEMOTAR-SWLSCSKDSA-N 0 3 319.836 3.332 20 30 DGEDHN CC[C@H]1CCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000340685715 529220776 /nfs/dbraw/zinc/22/07/76/529220776.db2.gz GBGZKPYJFUVRBQ-KRWDZBQOSA-N 0 3 313.445 3.425 20 30 DGEDHN CC[C@@H](O)CN(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000441072265 529224669 /nfs/dbraw/zinc/22/46/69/529224669.db2.gz JBQWPYROBQTUJB-LJQANCHMSA-N 0 3 324.424 3.210 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357850010 529351037 /nfs/dbraw/zinc/35/10/37/529351037.db2.gz LATDPBPOJGGGAO-UWWQBHOKSA-N 0 3 301.434 3.042 20 30 DGEDHN CC[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000413050329 529371256 /nfs/dbraw/zinc/37/12/56/529371256.db2.gz DMSCSTCLNRTXAA-CQSZACIVSA-N 0 3 302.378 3.061 20 30 DGEDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185812988 529373817 /nfs/dbraw/zinc/37/38/17/529373817.db2.gz DHAPDKHDZQPEOS-VKJFTORMSA-N 0 3 313.445 3.387 20 30 DGEDHN CC(C)CC[C@@H]1CCC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000493685987 534930869 /nfs/dbraw/zinc/93/08/69/534930869.db2.gz TZBUQOKFOQWZDB-JQHSSLGASA-N 0 3 313.445 3.279 20 30 DGEDHN CC(C)(C)OC(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000473070380 534954181 /nfs/dbraw/zinc/95/41/81/534954181.db2.gz DIPSWJYKXJYQLX-HOCLYGCPSA-N 0 3 300.402 3.424 20 30 DGEDHN COC[C@@H](CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000449474574 536627366 /nfs/dbraw/zinc/62/73/66/536627366.db2.gz DEEKYQJOMOSLIJ-CYBMUJFWSA-N 0 3 304.777 3.324 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000302934823 546439144 /nfs/dbraw/zinc/43/91/44/546439144.db2.gz HIIRFOKVRBYWIJ-KRWDZBQOSA-N 0 3 314.473 3.330 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)CCc2nc3ccccc3o2)CCN1C ZINC000329503181 546486255 /nfs/dbraw/zinc/48/62/55/546486255.db2.gz AOPCYLCNFNGCDZ-CHWSQXEVSA-N 0 3 301.390 3.200 20 30 DGEDHN O=C(CN1CCC[C@@H](C2CC2)C1)NC(=O)NC1CCCCC1 ZINC000329662879 546489851 /nfs/dbraw/zinc/48/98/51/546489851.db2.gz PPLKDTHYEVQDSP-CQSZACIVSA-N 0 3 307.438 3.312 20 30 DGEDHN CN1CCC(Nc2ccccc2NC(=O)C[C@@H]2CCOC2)CC1 ZINC000329724051 546491067 /nfs/dbraw/zinc/49/10/67/546491067.db2.gz BLPCCGFLQAUSOC-AWEZNQCLSA-N 0 3 317.433 3.207 20 30 DGEDHN Cc1nsc(NC[C@@H]2CCCN2Cc2ccccc2)c1C#N ZINC000390789120 546755562 /nfs/dbraw/zinc/75/55/62/546755562.db2.gz DSOPILPPCSZUEM-HNNXBMFYSA-N 0 3 312.442 3.400 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCc3cc(F)ccc32)CC1 ZINC000668369721 547446396 /nfs/dbraw/zinc/44/63/96/547446396.db2.gz CLTMDKUAVIVKGJ-SFHVURJKSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H]3COC[C@@]3(C)C2)cc1Cl ZINC000668595275 547488710 /nfs/dbraw/zinc/48/87/10/547488710.db2.gz LFADXQQMDKMHEV-WMLDXEAASA-N 0 3 307.821 3.373 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccsc2)CC1 ZINC000669859565 547696193 /nfs/dbraw/zinc/69/61/93/547696193.db2.gz DPEHDEMOYPIHDK-CYBMUJFWSA-N 0 3 307.463 3.149 20 30 DGEDHN CCC#C[C@H](C)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000670093176 547726056 /nfs/dbraw/zinc/72/60/56/547726056.db2.gz ONEKIJIBSRDEQQ-YSSFQJQWSA-N 0 3 312.457 3.365 20 30 DGEDHN C=CCOc1ccccc1CNCCc1ccc2c[nH]nc2c1 ZINC000671193370 547775084 /nfs/dbraw/zinc/77/50/84/547775084.db2.gz LEOARPQCCHMXGD-UHFFFAOYSA-N 0 3 307.397 3.460 20 30 DGEDHN C=C(C)[C@H](CO)N1CCCN(c2cccc(Cl)c2C)CC1 ZINC000671244122 547780605 /nfs/dbraw/zinc/78/06/05/547780605.db2.gz HQFOUHWJPOFTPF-KRWDZBQOSA-N 0 3 308.853 3.098 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000673235113 547950025 /nfs/dbraw/zinc/95/00/25/547950025.db2.gz KXOVIOPMPJTSDR-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1ccc2ccccc2n1 ZINC000676771035 548412176 /nfs/dbraw/zinc/41/21/76/548412176.db2.gz KBWTWSMJEPHJHT-CQSZACIVSA-N 0 3 316.364 3.258 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCC(c2nc3ccccc3s2)CC1 ZINC000677476905 548505458 /nfs/dbraw/zinc/50/54/58/548505458.db2.gz JRPWNRGOJVGQFP-OAHLLOKOSA-N 0 3 302.443 3.413 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000677480233 548505933 /nfs/dbraw/zinc/50/59/33/548505933.db2.gz VUIDOHQOTMVNHP-CQSZACIVSA-N 0 3 302.393 3.278 20 30 DGEDHN CCC#C[C@H](C)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000677479528 548506253 /nfs/dbraw/zinc/50/62/53/548506253.db2.gz OOSVBVZIGVXPGT-AWEZNQCLSA-N 0 3 302.393 3.278 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1csc(C)n1)C(C)C ZINC000678050742 548600903 /nfs/dbraw/zinc/60/09/03/548600903.db2.gz FNAJFCJJAZBGGF-CQSZACIVSA-N 0 3 322.478 3.272 20 30 DGEDHN C=CCN(C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000678537242 548723865 /nfs/dbraw/zinc/72/38/65/548723865.db2.gz UIVHKQLVMPPSJH-LBPRGKRZSA-N 0 3 316.228 3.384 20 30 DGEDHN C=CCN(C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000678537241 548723994 /nfs/dbraw/zinc/72/39/94/548723994.db2.gz UIVHKQLVMPPSJH-GFCCVEGCSA-N 0 3 316.228 3.384 20 30 DGEDHN C=CC[C@@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000680485262 549059510 /nfs/dbraw/zinc/05/95/10/549059510.db2.gz XDLXRMLREIRVBJ-SFHVURJKSA-N 0 3 315.388 3.431 20 30 DGEDHN N#CC(C(=O)c1ccc(OC2CCCC2)cc1)c1ccncn1 ZINC000680617698 549075921 /nfs/dbraw/zinc/07/59/21/549075921.db2.gz BKKWNZYJGXJJPV-MRXNPFEDSA-N 0 3 307.353 3.288 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000680991963 549141317 /nfs/dbraw/zinc/14/13/17/549141317.db2.gz JIOJTNPVQCPUMJ-DNVCBOLYSA-N 0 3 313.828 3.446 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C23CC(c4ccccc4)(C2)C3)CC1 ZINC000682895511 549391945 /nfs/dbraw/zinc/39/19/45/549391945.db2.gz ZSUPAJFMLNEYQL-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN C(#Cc1ccccc1)CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000683004846 549413472 /nfs/dbraw/zinc/41/34/72/549413472.db2.gz LLNYCJOUYLBPJI-BGYRXZFFSA-N 0 3 302.421 3.106 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000684928852 549719675 /nfs/dbraw/zinc/71/96/75/549719675.db2.gz BTOXEOOVVFORHB-ZWKOTPCHSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@](C)(CC)c2ccccc2)CC1 ZINC000730912401 574538410 /nfs/dbraw/zinc/53/84/10/574538410.db2.gz UZSVXQQCLXQIQJ-IBGZPJMESA-N 0 3 315.461 3.261 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000733204832 574607547 /nfs/dbraw/zinc/60/75/47/574607547.db2.gz AUVLSLJVTFHKSW-NGMPYOPUSA-N 0 3 318.339 3.235 20 30 DGEDHN C#CCOc1ccc(CNCc2cccc(NC(=O)CC)c2)cc1 ZINC000733324413 574615272 /nfs/dbraw/zinc/61/52/72/574615272.db2.gz AHNMOHHYGDXCSI-UHFFFAOYSA-N 0 3 322.408 3.337 20 30 DGEDHN Cc1nc(CCC(=O)C(C#N)c2nc3ccccc3o2)cs1 ZINC000733681211 574633367 /nfs/dbraw/zinc/63/33/67/574633367.db2.gz QGJBRVLPHPSVSP-GFCCVEGCSA-N 0 3 311.366 3.402 20 30 DGEDHN Cc1ccc(N=NC2CCN(Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000734299351 574655202 /nfs/dbraw/zinc/65/52/02/574655202.db2.gz NMHAFBHHTUIEKR-HNNXBMFYSA-N 0 3 309.417 3.237 20 30 DGEDHN CN(C)CCOc1ccc(CN=Nc2c(F)cccc2F)cc1 ZINC000735620162 574710299 /nfs/dbraw/zinc/71/02/99/574710299.db2.gz VSFABJUUJHPVCU-UHFFFAOYSA-N 0 3 319.355 3.351 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CCCCO3)nc21 ZINC000735792147 574715723 /nfs/dbraw/zinc/71/57/23/574715723.db2.gz INGFLLVHMHPSSE-UONOGXRCSA-N 0 3 311.385 3.397 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CCCCO3)[nH]c21 ZINC000735792147 574715725 /nfs/dbraw/zinc/71/57/25/574715725.db2.gz INGFLLVHMHPSSE-UONOGXRCSA-N 0 3 311.385 3.397 20 30 DGEDHN Cc1cccc(NC(=S)NN=C2CCN(C)[C@H](C)C2)c1C ZINC000741453254 574958336 /nfs/dbraw/zinc/95/83/36/574958336.db2.gz NTVUDSUJZJUWRG-GFCCVEGCSA-N 0 3 304.463 3.060 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000741784839 574970471 /nfs/dbraw/zinc/97/04/71/574970471.db2.gz VWJGTMOLBHTCAK-INIZCTEOSA-N 0 3 306.450 3.121 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1)[C@@H](O)c1c(F)cccc1F ZINC000742716393 575014631 /nfs/dbraw/zinc/01/46/31/575014631.db2.gz YJZVWGLADSKLBX-SJLPKXTDSA-N 0 3 316.351 3.438 20 30 DGEDHN C=C(CNCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000742718627 575014663 /nfs/dbraw/zinc/01/46/63/575014663.db2.gz RUCKMKZRHXQRGM-UHFFFAOYSA-N 0 3 308.425 3.326 20 30 DGEDHN CC(=NNc1ccc(C#N)cc1)c1cccc(OCCN(C)C)c1 ZINC000743531294 575055849 /nfs/dbraw/zinc/05/58/49/575055849.db2.gz PIHJJVJYGVJSGB-UHFFFAOYSA-N 0 3 322.412 3.335 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C)c1 ZINC000744026954 575069062 /nfs/dbraw/zinc/06/90/62/575069062.db2.gz CEYQLFZBDRGCMP-SAAWKEMMSA-N 0 3 314.385 3.335 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000744038463 575069502 /nfs/dbraw/zinc/06/95/02/575069502.db2.gz VOSRKCBWHCICNK-NHYWBVRUSA-N 0 3 318.804 3.211 20 30 DGEDHN CC(C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000744212591 575078753 /nfs/dbraw/zinc/07/87/53/575078753.db2.gz RUPRZQWCQACIKL-LBPRGKRZSA-N 0 3 301.415 3.060 20 30 DGEDHN Cc1ccccc1CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000729070569 575213744 /nfs/dbraw/zinc/21/37/44/575213744.db2.gz XMVOHZAFSDBUQV-KRWDZBQOSA-N 0 3 312.413 3.085 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2ccccc2Cl)CC1 ZINC000729943030 575267501 /nfs/dbraw/zinc/26/75/01/575267501.db2.gz YJNXDADMUBSJBM-UHFFFAOYSA-N 0 3 309.866 3.277 20 30 DGEDHN C=CCN1CCC(NC(=S)Nc2cccc(CC)c2)CC1 ZINC000729943189 575267755 /nfs/dbraw/zinc/26/77/55/575267755.db2.gz QLOXCJSBBZMEML-UHFFFAOYSA-N 0 3 303.475 3.186 20 30 DGEDHN C#CCCN1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000745997074 575426372 /nfs/dbraw/zinc/42/63/72/575426372.db2.gz JBTLWQAAEMJUGC-UHFFFAOYSA-N 0 3 321.424 3.449 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)C[C@H]2C)cc1C ZINC000747531207 575523995 /nfs/dbraw/zinc/52/39/95/575523995.db2.gz SOZLTPNRNRKAHD-RHSMWYFYSA-N 0 3 313.445 3.280 20 30 DGEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@@H](O)c1c(F)cccc1F ZINC000748099521 575561161 /nfs/dbraw/zinc/56/11/61/575561161.db2.gz VCVJNUBZNSTWSU-GDBMZVCRSA-N 0 3 322.380 3.500 20 30 DGEDHN COc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1C#N ZINC000748246841 575575014 /nfs/dbraw/zinc/57/50/14/575575014.db2.gz QBJKFAUVZGGBME-QGZVFWFLSA-N 0 3 312.417 3.177 20 30 DGEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000749295083 575643509 /nfs/dbraw/zinc/64/35/09/575643509.db2.gz ILRWSLXWNVGPNC-CZUORRHYSA-N 0 3 316.426 3.171 20 30 DGEDHN COc1ccccc1C1(C(=O)C(C#N)c2nc(C)cs2)CC1 ZINC000749338938 575645812 /nfs/dbraw/zinc/64/58/12/575645812.db2.gz UXESZVMDSISOAM-GFCCVEGCSA-N 0 3 312.394 3.368 20 30 DGEDHN Cc1cccnc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000750684196 575745203 /nfs/dbraw/zinc/74/52/03/575745203.db2.gz MWVAXJKMAXBZSU-NSHDSACASA-N 0 3 313.744 3.005 20 30 DGEDHN COc1ccc(NN=Cc2ccc(OCCN(C)C)cc2)cc1 ZINC000750926570 575761892 /nfs/dbraw/zinc/76/18/92/575761892.db2.gz ZZBVRZYDZBGWDA-UHFFFAOYSA-N 0 3 313.401 3.082 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C)C2)cc1C ZINC000752075375 575821576 /nfs/dbraw/zinc/82/15/76/575821576.db2.gz JCPNBAWKRKENQJ-IRXDYDNUSA-N 0 3 313.445 3.138 20 30 DGEDHN C#Cc1cccc(NC(=S)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000726461395 576025174 /nfs/dbraw/zinc/02/51/74/576025174.db2.gz ZLVNCAPJYKXIBK-HUUCEWRRSA-N 0 3 315.486 3.217 20 30 DGEDHN CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)C ZINC000726971205 576089559 /nfs/dbraw/zinc/08/95/59/576089559.db2.gz AWPFAXMZGLRYDW-AWEZNQCLSA-N 0 3 322.412 3.202 20 30 DGEDHN C=CCN(C(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000727304190 576119478 /nfs/dbraw/zinc/11/94/78/576119478.db2.gz GLSCALXGJTVVKA-UHFFFAOYSA-N 0 3 300.446 3.322 20 30 DGEDHN C=C(C)CNC(=S)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000727658507 576137390 /nfs/dbraw/zinc/13/73/90/576137390.db2.gz FMTTZGLQEXFJOT-QGZVFWFLSA-N 0 3 317.502 3.254 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCCN2Cc3ccccc3C2)cc1 ZINC000728712234 576197270 /nfs/dbraw/zinc/19/72/70/576197270.db2.gz ZSEZGSLOFGCHTE-INIZCTEOSA-N 0 3 321.424 3.083 20 30 DGEDHN C#Cc1ccc(C(=O)Nc2cccc(CN(CC)CC)c2)cn1 ZINC000728808925 576207627 /nfs/dbraw/zinc/20/76/27/576207627.db2.gz HFSVHOJQOMRFJZ-UHFFFAOYSA-N 0 3 307.397 3.157 20 30 DGEDHN CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000916622853 620639869 /nfs/dbraw/zinc/63/98/69/620639869.db2.gz OIDVPNKSHYJEEG-CYBMUJFWSA-N 0 3 313.426 3.204 20 30 DGEDHN C#CCN(C(=O)NC(CC(C)C)CC(C)C)C1CCN(C)CC1 ZINC000916727470 620643822 /nfs/dbraw/zinc/64/38/22/620643822.db2.gz XXMDWYHXZWEGDU-UHFFFAOYSA-N 0 3 321.509 3.186 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916914156 620649870 /nfs/dbraw/zinc/64/98/70/620649870.db2.gz VZCQSRKEUNUQMJ-ZDUSSCGKSA-N 0 3 308.328 3.332 20 30 DGEDHN C=CCC1(NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CCCC1 ZINC000852912856 620655006 /nfs/dbraw/zinc/65/50/06/620655006.db2.gz QQZVWEVFFQEVAG-AWEZNQCLSA-N 0 3 321.852 3.438 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2SCCS2)c([O-])c1 ZINC000852998579 620658822 /nfs/dbraw/zinc/65/88/22/620658822.db2.gz OUQJVWGUJRYAFY-MHWRWJLKSA-N 0 3 310.488 3.463 20 30 DGEDHN C[C@H](NN=Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000853349700 620688645 /nfs/dbraw/zinc/68/86/45/620688645.db2.gz FQWIABOLDFWRPF-AWEZNQCLSA-N 0 3 303.450 3.006 20 30 DGEDHN CC(=NN1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000853380847 620690710 /nfs/dbraw/zinc/69/07/10/620690710.db2.gz ZSJBKMDPAUVGMP-OAHLLOKOSA-N 0 3 301.434 3.122 20 30 DGEDHN CCCCCCCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000918493771 620709851 /nfs/dbraw/zinc/70/98/51/620709851.db2.gz CUVSZPFUPOYZRE-RYUDHWBXSA-N 0 3 323.355 3.347 20 30 DGEDHN C#Cc1cccc(NC(=O)N(CCC)CCN2CCCCC2)c1 ZINC000806184274 617662163 /nfs/dbraw/zinc/66/21/63/617662163.db2.gz XHXKEOPIAWYUOP-UHFFFAOYSA-N 0 3 313.445 3.398 20 30 DGEDHN CC(C)(C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216410 617722388 /nfs/dbraw/zinc/72/23/88/617722388.db2.gz QZDADCJIMDUMFY-JTQLQIEISA-N 0 3 300.280 3.092 20 30 DGEDHN CN(C)[C@H](CNc1cc(C#N)sc1[N+](=O)[O-])c1cccs1 ZINC000891490518 617814100 /nfs/dbraw/zinc/81/41/00/617814100.db2.gz WWRQWFINCHZKEF-LLVKDONJSA-N 0 3 322.415 3.304 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000891510179 617819916 /nfs/dbraw/zinc/81/99/16/617819916.db2.gz WAHNVZYVDXLTKJ-GOSISDBHSA-N 0 3 321.424 3.208 20 30 DGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2OC)CC1 ZINC000892496631 618082616 /nfs/dbraw/zinc/08/26/16/618082616.db2.gz PVISWWJNCZVESV-AWEZNQCLSA-N 0 3 312.369 3.089 20 30 DGEDHN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1C#N ZINC000155192414 620787416 /nfs/dbraw/zinc/78/74/16/620787416.db2.gz HZMAZWABMQKNER-UHFFFAOYSA-N 0 3 309.413 3.265 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CCC)CC(F)(F)F)CC1 ZINC000892851947 618329324 /nfs/dbraw/zinc/32/93/24/618329324.db2.gz TVKNTRZAOMTYRB-UHFFFAOYSA-N 0 3 321.387 3.011 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]2C2CCCC2)CC1 ZINC000892851280 618329753 /nfs/dbraw/zinc/32/97/53/618329753.db2.gz GLNRKXAFGGYISX-KRWDZBQOSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCN1CCC(NC(=O)N2Cc3ccccc3[C@@H]2CC)CC1 ZINC000892858713 618332321 /nfs/dbraw/zinc/33/23/21/618332321.db2.gz WNELNOUIQBTGSK-SFHVURJKSA-N 0 3 313.445 3.313 20 30 DGEDHN C#C[C@H](NC1CCC(C)(O)CC1)c1ccc(Br)cc1 ZINC000894667512 618416836 /nfs/dbraw/zinc/41/68/36/618416836.db2.gz GTVOXOGCFNCIOX-PCKAHOCUSA-N 0 3 322.246 3.407 20 30 DGEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C2CC2)n1 ZINC000894964333 618504415 /nfs/dbraw/zinc/50/44/15/618504415.db2.gz ONEVITLEAPNCAJ-SFHVURJKSA-N 0 3 306.413 3.336 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000121086977 618571422 /nfs/dbraw/zinc/57/14/22/618571422.db2.gz UGYIFQBROKEPIK-IBGZPJMESA-N 0 3 324.424 3.431 20 30 DGEDHN COC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1C ZINC000894103938 618711206 /nfs/dbraw/zinc/71/12/06/618711206.db2.gz XYZODCFFXRFLCO-IBGZPJMESA-N 0 3 320.392 3.430 20 30 DGEDHN C=CCc1cc(CN2C[C@H](OC)CC[C@@H]2C)cc(OC)c1O ZINC000895926651 618850127 /nfs/dbraw/zinc/85/01/27/618850127.db2.gz IZTCDIUGJKIVHM-XJKSGUPXSA-N 0 3 305.418 3.129 20 30 DGEDHN COc1ccc(C2=NO[C@@H](CN[C@H](C)CC(C)(C)C#N)C2)cc1 ZINC000895979050 618857339 /nfs/dbraw/zinc/85/73/39/618857339.db2.gz YELXPZDKWMBFAT-CZUORRHYSA-N 0 3 315.417 3.106 20 30 DGEDHN COC(=O)[C@H](CNCc1csc(C#N)c1)C1CCCCC1 ZINC000896072302 618870426 /nfs/dbraw/zinc/87/04/26/618870426.db2.gz DTBVHWXRQJCDFJ-OAHLLOKOSA-N 0 3 306.431 3.079 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CN(CC(C)(C)CCC#N)C2)C1 ZINC000897894760 619192975 /nfs/dbraw/zinc/19/29/75/619192975.db2.gz KKCMTCCNFRPHQG-UHFFFAOYSA-N 0 3 321.465 3.259 20 30 DGEDHN CC(=NN[C@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000808003265 619248811 /nfs/dbraw/zinc/24/88/11/619248811.db2.gz VROFAEOJLLUYPI-INIZCTEOSA-N 0 3 303.475 3.496 20 30 DGEDHN C[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(C#N)cc1F ZINC000926964334 619253306 /nfs/dbraw/zinc/25/33/06/619253306.db2.gz RIFBIAICYMWUHS-YGRLFVJLSA-N 0 3 317.330 3.231 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899047052 619309606 /nfs/dbraw/zinc/30/96/06/619309606.db2.gz IKZJRJIKYDWMSD-UHFFFAOYSA-N 0 3 320.824 3.252 20 30 DGEDHN CCN(CCN[C@@H](C)c1cc(C#N)ccn1)c1cccc(C)c1 ZINC000902727019 619666380 /nfs/dbraw/zinc/66/63/80/619666380.db2.gz WPMXSOSTCULARX-INIZCTEOSA-N 0 3 308.429 3.439 20 30 DGEDHN C[C@H](NCCOc1cccc(Cl)c1)c1cc(C#N)ccn1 ZINC000902770790 619673391 /nfs/dbraw/zinc/67/33/91/619673391.db2.gz VANWRRPMLDYXSQ-LBPRGKRZSA-N 0 3 301.777 3.336 20 30 DGEDHN CCN(CC)[C@H](CN[C@@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902780801 619674937 /nfs/dbraw/zinc/67/49/37/619674937.db2.gz TUOFSTCRVXCXNN-WMLDXEAASA-N 0 3 312.417 3.280 20 30 DGEDHN COc1ccccc1C1(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902783858 619675194 /nfs/dbraw/zinc/67/51/94/619675194.db2.gz KNADGHZYRVUAOS-AWEZNQCLSA-N 0 3 307.397 3.344 20 30 DGEDHN C[C@@H](NC[C@](C)(O)c1cccc(Cl)c1)c1cc(C#N)ccn1 ZINC000902954116 619696864 /nfs/dbraw/zinc/69/68/64/619696864.db2.gz QOWGXZKQCKDGIM-PXAZEXFGSA-N 0 3 315.804 3.165 20 30 DGEDHN C[C@@H](NC[C@](C)(O)c1ccccc1Cl)c1cc(C#N)ccn1 ZINC000902954278 619696968 /nfs/dbraw/zinc/69/69/68/619696968.db2.gz UPBZHTDXSYYIGG-PXAZEXFGSA-N 0 3 315.804 3.165 20 30 DGEDHN C[C@@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902989763 619700172 /nfs/dbraw/zinc/70/01/72/619700172.db2.gz MXHJMRKQCNOXIJ-DOMZBBRYSA-N 0 3 315.804 3.033 20 30 DGEDHN C[C@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902989766 619700242 /nfs/dbraw/zinc/70/02/42/619700242.db2.gz MXHJMRKQCNOXIJ-WFASDCNBSA-N 0 3 315.804 3.033 20 30 DGEDHN C[C@H](N[C@@H]1CCN(c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902998522 619702864 /nfs/dbraw/zinc/70/28/64/619702864.db2.gz FKERCPUFXWPWSQ-DZGCQCFKSA-N 0 3 310.376 3.022 20 30 DGEDHN CC[C@H](N[C@H](C(=O)N(C)CC)C(C)C)c1cccc(C#N)c1 ZINC000903006560 619703719 /nfs/dbraw/zinc/70/37/19/619703719.db2.gz KUSMQFUADBYLCO-IRXDYDNUSA-N 0 3 301.434 3.102 20 30 DGEDHN C[C@H](NCCOc1ccc(Cl)c(F)c1)c1cc(C#N)ccn1 ZINC000903008662 619704167 /nfs/dbraw/zinc/70/41/67/619704167.db2.gz RJOLKHZHODOMBQ-NSHDSACASA-N 0 3 319.767 3.475 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NCC(C)(C)C#N ZINC000903100179 619716415 /nfs/dbraw/zinc/71/64/15/619716415.db2.gz IVSHXRRWEXLXES-ZIAGYGMSSA-N 0 3 309.454 3.352 20 30 DGEDHN C=CCC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1cccc(Cl)c1 ZINC000903128486 619722952 /nfs/dbraw/zinc/72/29/52/619722952.db2.gz ZMJMKTGJRUMXQR-IUODEOHRSA-N 0 3 315.866 3.370 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NC1(c2ccc3c(c2)OCCO3)CC1 ZINC000903295687 619752559 /nfs/dbraw/zinc/75/25/59/619752559.db2.gz YRGQKDDUJJHBJG-ZDUSSCGKSA-N 0 3 300.402 3.365 20 30 DGEDHN N#C[C@@H]1CC[C@H](NC2CN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000903345151 619760999 /nfs/dbraw/zinc/76/09/99/619760999.db2.gz DBMQWXFICWIGRD-YPMHNXCESA-N 0 3 309.335 3.176 20 30 DGEDHN C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378184 619768243 /nfs/dbraw/zinc/76/82/43/619768243.db2.gz PEMJDTMLDCPADN-KSSFIOAISA-N 0 3 324.428 3.002 20 30 DGEDHN C[C@H]([NH2+][C@@H](CCN(C)C)c1cccnc1)c1cccc(C#N)c1[O-] ZINC000903378184 619768246 /nfs/dbraw/zinc/76/82/46/619768246.db2.gz PEMJDTMLDCPADN-KSSFIOAISA-N 0 3 324.428 3.002 20 30 DGEDHN C=CCCCN(CC)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000904522787 619927074 /nfs/dbraw/zinc/92/70/74/619927074.db2.gz DFZHNLSMFGWJOH-KRWDZBQOSA-N 0 3 317.433 3.168 20 30 DGEDHN Cc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)ncc1C#N ZINC000904622571 619934354 /nfs/dbraw/zinc/93/43/54/619934354.db2.gz JEZOMCXRIFGKAN-UHFFFAOYSA-N 0 3 319.368 3.040 20 30 DGEDHN C#CC[C@H](NC[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000905187451 619976558 /nfs/dbraw/zinc/97/65/58/619976558.db2.gz GJVZVINRUYJNEE-QWHCGFSZSA-N 0 3 321.289 3.289 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2ccccc2SCC)CC1 ZINC000906591743 620107071 /nfs/dbraw/zinc/10/70/71/620107071.db2.gz GDVGDPHVCUBUKW-UHFFFAOYSA-N 0 3 318.486 3.108 20 30 DGEDHN N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000908562198 620210801 /nfs/dbraw/zinc/21/08/01/620210801.db2.gz CJMJTFSQEOYJJF-BBRMVZONSA-N 0 3 310.401 3.103 20 30 DGEDHN CC(C)(C)c1ccccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000911646668 620340256 /nfs/dbraw/zinc/34/02/56/620340256.db2.gz UQVVRHMZZODORL-SHYRYGCCSA-N 0 3 311.429 3.062 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000911646712 620340263 /nfs/dbraw/zinc/34/02/63/620340263.db2.gz WJAVYKVFAMYJBB-AWEZNQCLSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000912116743 620366804 /nfs/dbraw/zinc/36/68/04/620366804.db2.gz ZMPDZZUSROJORC-INIZCTEOSA-N 0 3 324.428 3.372 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(CCO)cc1 ZINC000912239714 620374022 /nfs/dbraw/zinc/37/40/22/620374022.db2.gz QIAXZDZNJOOYFO-QGZVFWFLSA-N 0 3 306.450 3.238 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1c(OC)ccc2ccccc21 ZINC000912282676 620376700 /nfs/dbraw/zinc/37/67/00/620376700.db2.gz ZHVPELRUDLMMPA-KRWDZBQOSA-N 0 3 312.413 3.148 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1OCCCC ZINC000912330960 620378491 /nfs/dbraw/zinc/37/84/91/620378491.db2.gz DKXIEELXYUPGCP-OAHLLOKOSA-N 0 3 320.433 3.496 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000912389345 620383824 /nfs/dbraw/zinc/38/38/24/620383824.db2.gz WNBKGLCZJCARDK-PBHICJAKSA-N 0 3 304.434 3.335 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000912474893 620389962 /nfs/dbraw/zinc/38/99/62/620389962.db2.gz YFMDNNWOUFDNCB-CHWSQXEVSA-N 0 3 300.324 3.090 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000912479061 620390731 /nfs/dbraw/zinc/39/07/31/620390731.db2.gz NOZOEMYRQKWSOY-GOSISDBHSA-N 0 3 316.445 3.048 20 30 DGEDHN CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000913666165 620469513 /nfs/dbraw/zinc/46/95/13/620469513.db2.gz UQAVFAMXJDQIOO-HOCLYGCPSA-N 0 3 310.401 3.055 20 30 DGEDHN CC(C)Cc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000152372527 620503141 /nfs/dbraw/zinc/50/31/41/620503141.db2.gz HCIHLLCPWLQBDQ-QGZVFWFLSA-N 0 3 314.429 3.051 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1c(F)cccc1F ZINC000153200765 620540179 /nfs/dbraw/zinc/54/01/79/620540179.db2.gz OAZBVEINHNIUHX-VXGBXAGGSA-N 0 3 322.355 3.084 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)/C=C\c1ccccc1C#N ZINC000915269615 620577669 /nfs/dbraw/zinc/57/76/69/620577669.db2.gz WEUUZESJJBCNQH-QXMHVHEDSA-N 0 3 305.381 3.272 20 30 DGEDHN C=C(C)CNC(=S)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000840766357 620885611 /nfs/dbraw/zinc/88/56/11/620885611.db2.gz KMTCGCAIGQKBBD-OAHLLOKOSA-N 0 3 323.531 3.051 20 30 DGEDHN CCN(CC)[C@@H](CNCc1csc(C#N)c1)c1ccco1 ZINC000921618521 620915214 /nfs/dbraw/zinc/91/52/14/620915214.db2.gz XERRWYUUVFXYQV-HNNXBMFYSA-N 0 3 303.431 3.385 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(OCC#N)cc1 ZINC000921694742 620935855 /nfs/dbraw/zinc/93/58/55/620935855.db2.gz WEKAKAGCAFRRTA-UHFFFAOYSA-N 0 3 305.381 3.367 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN[C@H](CCO)c1cccs1 ZINC000921769190 620947355 /nfs/dbraw/zinc/94/73/55/620947355.db2.gz BERBRQKRYIUWSQ-MRXNPFEDSA-N 0 3 300.427 3.450 20 30 DGEDHN C=CCC[C@@H](NCc1c2c(nn1C)CCOC2)c1ccccc1 ZINC000921918140 620968579 /nfs/dbraw/zinc/96/85/79/620968579.db2.gz RNBXIDNSEAQRLD-QGZVFWFLSA-N 0 3 311.429 3.290 20 30 DGEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2csc(C#N)c2)cc1 ZINC000921961833 620974070 /nfs/dbraw/zinc/97/40/70/620974070.db2.gz WWAQLXHIANBFFD-SJKOYZFVSA-N 0 3 316.426 3.494 20 30 DGEDHN C=CCCC(C)(C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000856373029 620989880 /nfs/dbraw/zinc/98/98/80/620989880.db2.gz WODASBIZSZFDNR-HUUCEWRRSA-N 0 3 301.386 3.152 20 30 DGEDHN CC(C)O[C@H]1C[C@@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922179937 621001344 /nfs/dbraw/zinc/00/13/44/621001344.db2.gz OTYOMDDFFGFKGR-OKILXGFUSA-N 0 3 323.234 3.366 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2ccccc2s1 ZINC000856736993 621014486 /nfs/dbraw/zinc/01/44/86/621014486.db2.gz QFKVAXXTUZRQIQ-NEPJUHHUSA-N 0 3 303.431 3.248 20 30 DGEDHN C=CCOc1ccccc1CNC[C@@H]1CCC2(CCOCC2)O1 ZINC000922812743 621102376 /nfs/dbraw/zinc/10/23/76/621102376.db2.gz SNSYKBJUEUFTKC-KRWDZBQOSA-N 0 3 317.429 3.069 20 30 DGEDHN CN(CCC#N)c1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000922943286 621134502 /nfs/dbraw/zinc/13/45/02/621134502.db2.gz BITBFQDLZBKRKL-UHFFFAOYSA-N 0 3 321.424 3.261 20 30 DGEDHN C[C@H](CC#N)N(C)CC[Si](C)(C)CCN(C)[C@@H](C)CC#N ZINC000859163350 621255964 /nfs/dbraw/zinc/25/59/64/621255964.db2.gz IROJGTYIHAJQQY-IYBDPMFKSA-N 0 3 308.546 3.163 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCCO1 ZINC000838965024 621307748 /nfs/dbraw/zinc/30/77/48/621307748.db2.gz OSUXTYKEFMASGJ-BXUZGUMPSA-N 0 3 312.291 3.236 20 30 DGEDHN CCCCCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000859705273 621311661 /nfs/dbraw/zinc/31/16/61/621311661.db2.gz DDDYIUCQAQHZNC-KRWDZBQOSA-N 0 3 319.449 3.439 20 30 DGEDHN C#CCC[C@@H](C)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000839036061 621312027 /nfs/dbraw/zinc/31/20/27/621312027.db2.gz QGYSHWOEDWJTQL-DOMZBBRYSA-N 0 3 319.788 3.038 20 30 DGEDHN C#C[C@H](NCc1ccccc1N1CCO[C@H](C)C1)C(C)(C)C ZINC000839105628 621329858 /nfs/dbraw/zinc/32/98/58/621329858.db2.gz YGWRWLKGKBJMCJ-QAPCUYQASA-N 0 3 300.446 3.049 20 30 DGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000859824523 621331198 /nfs/dbraw/zinc/33/11/98/621331198.db2.gz BCIKVGQTLUTAES-PVTKRXDGSA-N 0 3 308.809 3.144 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860094916 621365197 /nfs/dbraw/zinc/36/51/97/621365197.db2.gz CFRIVBMMFASMDV-AWEZNQCLSA-N 0 3 317.433 3.212 20 30 DGEDHN c1ccc(C[N@@H+]2CCC(N=Nc3nc4ccccc4[n-]3)C2)cc1 ZINC000839386977 621366040 /nfs/dbraw/zinc/36/60/40/621366040.db2.gz GOCDVHLZMUKGMQ-UHFFFAOYSA-N 0 3 305.385 3.237 20 30 DGEDHN c1ccc(C[N@H+]2CCC(N=Nc3nc4ccccc4[n-]3)C2)cc1 ZINC000839386977 621366041 /nfs/dbraw/zinc/36/60/41/621366041.db2.gz GOCDVHLZMUKGMQ-UHFFFAOYSA-N 0 3 305.385 3.237 20 30 DGEDHN CCN(CC)Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)o1 ZINC000839445722 621375503 /nfs/dbraw/zinc/37/55/03/621375503.db2.gz TXUUOSOAEZMZOR-KGLIPLIRSA-N 0 3 304.390 3.361 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860470106 621408449 /nfs/dbraw/zinc/40/84/49/621408449.db2.gz MZRNGWWZKLSFET-RCDNUKIMSA-N 0 3 310.397 3.477 20 30 DGEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000860469060 621408548 /nfs/dbraw/zinc/40/85/48/621408548.db2.gz NVLORFSFJGDOKA-RCCFBDPRSA-N 0 3 324.424 3.256 20 30 DGEDHN Cc1ccc([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000754662998 621522968 /nfs/dbraw/zinc/52/29/68/621522968.db2.gz OFIAZUBMCQCTEE-AWEZNQCLSA-N 0 3 319.474 3.392 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000754665100 621523009 /nfs/dbraw/zinc/52/30/09/621523009.db2.gz UZZPWNCZRBPCMU-ZENOOKHLSA-N 0 3 307.463 3.150 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1csc2ccccc21 ZINC000754739575 621529663 /nfs/dbraw/zinc/52/96/63/621529663.db2.gz SFPUDDHASADBEV-CYBMUJFWSA-N 0 3 315.442 3.314 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000862443309 621591233 /nfs/dbraw/zinc/59/12/33/621591233.db2.gz OBWCXDFPENJVOL-CYBMUJFWSA-N 0 3 305.805 3.347 20 30 DGEDHN CCOc1ccc(CN2CCc3c(CC#N)cccc3C2)c(O)c1 ZINC000862542418 621599454 /nfs/dbraw/zinc/59/94/54/621599454.db2.gz OQHRZPBUYYSLAZ-UHFFFAOYSA-N 0 3 322.408 3.415 20 30 DGEDHN CCOc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c([O-])c1 ZINC000862542418 621599456 /nfs/dbraw/zinc/59/94/56/621599456.db2.gz OQHRZPBUYYSLAZ-UHFFFAOYSA-N 0 3 322.408 3.415 20 30 DGEDHN CCOc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c([O-])c1 ZINC000862542418 621599459 /nfs/dbraw/zinc/59/94/59/621599459.db2.gz OQHRZPBUYYSLAZ-UHFFFAOYSA-N 0 3 322.408 3.415 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)c3ccccc23)CC1 ZINC000862976318 621630393 /nfs/dbraw/zinc/63/03/93/621630393.db2.gz NGCXPOQMHUVWSE-UHFFFAOYSA-N 0 3 322.408 3.132 20 30 DGEDHN C[C@@H](N[C@@H](C)CCC#N)c1cc(F)ccc1N1CCC(O)CC1 ZINC000839539092 621693103 /nfs/dbraw/zinc/69/31/03/621693103.db2.gz JAFORLRTBZVMJK-UONOGXRCSA-N 0 3 319.424 3.130 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1cc(F)ccc1F ZINC000839548969 621694045 /nfs/dbraw/zinc/69/40/45/621694045.db2.gz VXVCAHLYLJLJPO-QGZVFWFLSA-N 0 3 307.340 3.322 20 30 DGEDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000839602645 621698930 /nfs/dbraw/zinc/69/89/30/621698930.db2.gz WLNJPZQMRXBUPQ-INIZCTEOSA-N 0 3 321.465 3.403 20 30 DGEDHN COC1([C@H](C)NCc2cc(Cl)ccc2OCC#N)CCC1 ZINC000839660951 621704956 /nfs/dbraw/zinc/70/49/56/621704956.db2.gz QGFFHHUBJXZQGJ-LBPRGKRZSA-N 0 3 308.809 3.290 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680672 621711480 /nfs/dbraw/zinc/71/14/80/621711480.db2.gz VGOZJMOAXIXTFD-YOEHRIQHSA-N 0 3 307.438 3.154 20 30 DGEDHN C#CC[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000805891789 625509074 /nfs/dbraw/zinc/50/90/74/625509074.db2.gz YDVXFTLTPTZPSU-IBGZPJMESA-N 0 3 313.441 3.490 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000757856003 621743461 /nfs/dbraw/zinc/74/34/61/621743461.db2.gz LVAREZFPUUMTFF-FRRDWIJNSA-N 0 3 313.426 3.345 20 30 DGEDHN CCCN(CC1CCCCC1)Cn1ccc(C)c(C#N)c1=O ZINC000758199693 621765831 /nfs/dbraw/zinc/76/58/31/621765831.db2.gz SGMMFGOWTVJYNQ-UHFFFAOYSA-N 0 3 301.434 3.278 20 30 DGEDHN CC[C@@H](C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760334521 621932869 /nfs/dbraw/zinc/93/28/69/621932869.db2.gz PAFVAWJIHCZMSL-HIFRSBDPSA-N 0 3 309.369 3.245 20 30 DGEDHN Cc1cc(OCC(=O)C(C#N)c2ccncn2)ccc1C(C)C ZINC000760344544 621933989 /nfs/dbraw/zinc/93/39/89/621933989.db2.gz IKQOECIPBHINTO-MRXNPFEDSA-N 0 3 309.369 3.164 20 30 DGEDHN CCn1c2ccccc2nc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865848240 622007241 /nfs/dbraw/zinc/00/72/41/622007241.db2.gz LQRFVZFLQQHXBT-QGZVFWFLSA-N 0 3 316.408 3.185 20 30 DGEDHN C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1cccc(C#N)c1[O-] ZINC000866218333 622068280 /nfs/dbraw/zinc/06/82/80/622068280.db2.gz NEQHABAFCXLSBG-HUUCEWRRSA-N 0 3 301.434 3.179 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1sccc1CC#N ZINC000866353809 622101372 /nfs/dbraw/zinc/10/13/72/622101372.db2.gz BKBMDOIQGSMHJW-UHFFFAOYSA-N 0 3 313.426 3.437 20 30 DGEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nc2ccccc2n1C ZINC000866618226 622148538 /nfs/dbraw/zinc/14/85/38/622148538.db2.gz XFUOSCNCHFXCPU-CXAGYDPISA-N 0 3 316.408 3.263 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121607341 622166523 /nfs/dbraw/zinc/16/65/23/622166523.db2.gz AYLKAMFMRNGDEE-OLZOCXBDSA-N 0 3 306.431 3.257 20 30 DGEDHN CC(C)c1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121734028 622176588 /nfs/dbraw/zinc/17/65/88/622176588.db2.gz ZVBZNFDXKKHLIB-DYVFJYSZSA-N 0 3 312.413 3.291 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C(C)(F)F)CC1 ZINC000868222044 622226249 /nfs/dbraw/zinc/22/62/49/622226249.db2.gz OJVSDHXOXLFLIG-UHFFFAOYSA-N 0 3 317.424 3.008 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N(C)C)nc2)cc1 ZINC000764865586 622227848 /nfs/dbraw/zinc/22/78/48/622227848.db2.gz VCYIYZZKLIEOLL-HNNXBMFYSA-N 0 3 309.413 3.010 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCCC1 ZINC000765204905 622252014 /nfs/dbraw/zinc/25/20/14/622252014.db2.gz KCRFANURFFHSED-KRWDZBQOSA-N 0 3 302.462 3.093 20 30 DGEDHN C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C#N ZINC000805901634 625552810 /nfs/dbraw/zinc/55/28/10/625552810.db2.gz SHRCHGLGJXDZDG-AWEZNQCLSA-N 0 3 300.402 3.377 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(OC)cn2)c([O-])c1 ZINC000766283346 622317321 /nfs/dbraw/zinc/31/73/21/622317321.db2.gz JMYAOGQKQXOQGC-YBFXNURJSA-N 0 3 313.401 3.261 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCCN(C)C2=O)cc1 ZINC000766436611 622329645 /nfs/dbraw/zinc/32/96/45/622329645.db2.gz JYKMGVRLGIUQBI-XJKSGUPXSA-N 0 3 322.836 3.089 20 30 DGEDHN Cc1cc(CNCc2ccc(-n3ccnc3)cc2)ccc1C#N ZINC000767694007 622416290 /nfs/dbraw/zinc/41/62/90/622416290.db2.gz TZBZQMAHPNYZMO-UHFFFAOYSA-N 0 3 302.381 3.342 20 30 DGEDHN CSC[C@@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000767776067 622421564 /nfs/dbraw/zinc/42/15/64/622421564.db2.gz QIOXDLCAHVHYGF-INIZCTEOSA-N 0 3 312.442 3.207 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000123682237 622641124 /nfs/dbraw/zinc/64/11/24/622641124.db2.gz VDAMDZYYRKEJRW-GFCCVEGCSA-N 0 3 324.771 3.420 20 30 DGEDHN C=CCNc1ncc(C(=O)Nc2cccc(CN(C)C)c2)s1 ZINC000770992323 622699616 /nfs/dbraw/zinc/69/96/16/622699616.db2.gz YWYCKSZOFRABLH-UHFFFAOYSA-N 0 3 316.430 3.055 20 30 DGEDHN C=CCC[C@@H](NC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000771852391 622803479 /nfs/dbraw/zinc/80/34/79/622803479.db2.gz ZUNHXOHNFGKCGS-QGZVFWFLSA-N 0 3 317.502 3.252 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN[C@]12CCC[C@H]1OCC2 ZINC000872312507 622889208 /nfs/dbraw/zinc/88/92/08/622889208.db2.gz IXZLRHBNEOIZER-CVEARBPZSA-N 0 3 306.793 3.044 20 30 DGEDHN COc1ccc(CN[C@H]2CCCc3nc(C)sc32)cc1C#N ZINC000773073825 622977404 /nfs/dbraw/zinc/97/74/04/622977404.db2.gz FWOXEQOZFWLOCM-AWEZNQCLSA-N 0 3 313.426 3.499 20 30 DGEDHN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1C#N ZINC000773076369 622978233 /nfs/dbraw/zinc/97/82/33/622978233.db2.gz NBWIOADSTKEZHN-CQSZACIVSA-N 0 3 309.413 3.484 20 30 DGEDHN CC[C@H](C)NN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000790184154 625613814 /nfs/dbraw/zinc/61/38/14/625613814.db2.gz YMIDIXVQPXASNA-AWEZNQCLSA-N 0 3 303.450 3.403 20 30 DGEDHN Cc1cc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)ccc1C#N ZINC000774884990 623205293 /nfs/dbraw/zinc/20/52/93/623205293.db2.gz IBBJLMGJFMOBSP-CQSZACIVSA-N 0 3 317.433 3.212 20 30 DGEDHN C#CC[C@H](NC[C@H](O)COc1cc(C)cc(C)c1)c1ccccc1 ZINC000775398574 623267598 /nfs/dbraw/zinc/26/75/98/623267598.db2.gz KAGATGXBOOHXMJ-FPOVZHCZSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@@H](NC[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000775400165 623268363 /nfs/dbraw/zinc/26/83/63/623268363.db2.gz XDNKWOKGFARLAM-SJORKVTESA-N 0 3 301.336 3.352 20 30 DGEDHN N#Cc1ccc(F)c(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000775412928 623272161 /nfs/dbraw/zinc/27/21/61/623272161.db2.gz SHDFZPPLNZQTRO-ILXRZTDVSA-N 0 3 308.447 3.167 20 30 DGEDHN N#CCC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775550634 623288569 /nfs/dbraw/zinc/28/85/69/623288569.db2.gz JNVMOWUEAZPJSG-OALUTQOASA-N 0 3 305.381 3.226 20 30 DGEDHN C#C[C@H](N[C@@H](C)c1ccc(-n2ccnc2C)cc1)[C@@H]1CCCO1 ZINC000775573065 623291519 /nfs/dbraw/zinc/29/15/19/623291519.db2.gz FUOBEAKROBDSJT-JVPBZIDWSA-N 0 3 309.413 3.012 20 30 DGEDHN CN(C)c1ccc(C2CCN(Cc3ccnc(C#N)c3)CC2)cc1 ZINC000775881240 623346056 /nfs/dbraw/zinc/34/60/56/623346056.db2.gz PLTBFGHBAZOKQA-UHFFFAOYSA-N 0 3 320.440 3.399 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(OC(F)F)cc1 ZINC000776181547 623391889 /nfs/dbraw/zinc/39/18/89/623391889.db2.gz XDASFJLOOZDGAX-UHFFFAOYSA-N 0 3 306.316 3.195 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000776798227 623464102 /nfs/dbraw/zinc/46/41/02/623464102.db2.gz HYICCXXFUCKOJT-CQSZACIVSA-N 0 3 319.408 3.236 20 30 DGEDHN CC(C)CNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000777601082 623547411 /nfs/dbraw/zinc/54/74/11/623547411.db2.gz OHPXOIAKGXDOER-OAHLLOKOSA-N 0 3 313.445 3.103 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000778177077 623620302 /nfs/dbraw/zinc/62/03/02/623620302.db2.gz NRNWIDZHAKHSJK-RDTXWAMCSA-N 0 3 319.832 3.399 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000876548456 623640419 /nfs/dbraw/zinc/64/04/19/623640419.db2.gz HMCSWCGKCUYMOH-LBPRGKRZSA-N 0 3 321.635 3.122 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000876555287 623642862 /nfs/dbraw/zinc/64/28/62/623642862.db2.gz SGGYOVLPGWDOLJ-NSHDSACASA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000876570348 623647712 /nfs/dbraw/zinc/64/77/12/623647712.db2.gz AQFZDTLXEVIFHN-LLVKDONJSA-N 0 3 322.714 3.036 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000876575808 623648910 /nfs/dbraw/zinc/64/89/10/623648910.db2.gz UBWJYVMUJIIXOF-SECBINFHSA-N 0 3 310.678 3.253 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000876589493 623653278 /nfs/dbraw/zinc/65/32/78/623653278.db2.gz NCTZMJDDGWWRBJ-GXFFZTMASA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000876593073 623655008 /nfs/dbraw/zinc/65/50/08/623655008.db2.gz WWJSYPUBSXMHCG-IUODEOHRSA-N 0 3 310.825 3.121 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000876592548 623655015 /nfs/dbraw/zinc/65/50/15/623655015.db2.gz TWUYOUDXXVQYGH-UONOGXRCSA-N 0 3 313.228 3.473 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000876610661 623659410 /nfs/dbraw/zinc/65/94/10/623659410.db2.gz HFTHYPKZZJASBG-HOTGVXAUSA-N 0 3 304.821 3.135 20 30 DGEDHN COc1ccc(NC(=O)[C@@H]2CCCN2C[C@@H](C)CCC#N)cc1 ZINC000876615845 623660398 /nfs/dbraw/zinc/66/03/98/623660398.db2.gz MOQWZDGKWKTHQH-YOEHRIQHSA-N 0 3 315.417 3.038 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000876644980 623668692 /nfs/dbraw/zinc/66/86/92/623668692.db2.gz GWUQMIBJYRBVAS-ULQDDVLXSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000876672346 623677203 /nfs/dbraw/zinc/67/72/03/623677203.db2.gz UEGSLKWIGRABLJ-AWEZNQCLSA-N 0 3 304.821 3.315 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000876673470 623677970 /nfs/dbraw/zinc/67/79/70/623677970.db2.gz NKVRNCZVGZCFAQ-ZLDLUXBVSA-N 0 3 310.800 3.000 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccccc2F)CC1 ZINC000876673240 623677973 /nfs/dbraw/zinc/67/79/73/623677973.db2.gz LBLWCOCOOFYSLL-HNNXBMFYSA-N 0 3 310.800 3.002 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1cc(F)ccc1F ZINC000876677638 623679571 /nfs/dbraw/zinc/67/95/71/623679571.db2.gz SVDXSGFJNZIOMA-OLZOCXBDSA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(CC)(CC)c1ccccc1 ZINC000876687115 623681890 /nfs/dbraw/zinc/68/18/90/623681890.db2.gz LOFZPHJQCRXXHR-OAHLLOKOSA-N 0 3 308.853 3.331 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000876693023 623684077 /nfs/dbraw/zinc/68/40/77/623684077.db2.gz NFRIHUSOXPAPSY-WMZOPIPTSA-N 0 3 320.864 3.328 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC000876698334 623685007 /nfs/dbraw/zinc/68/50/07/623685007.db2.gz PDIHMLMFKFZDFQ-CABCVRRESA-N 0 3 324.852 3.369 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1N1CCCCC1 ZINC000876708085 623686810 /nfs/dbraw/zinc/68/68/10/623686810.db2.gz HJVPLDBNOJJOBS-ZDUSSCGKSA-N 0 3 307.825 3.085 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000876731127 623691201 /nfs/dbraw/zinc/69/12/01/623691201.db2.gz OVSPDQCTYJKMEV-ZDUSSCGKSA-N 0 3 313.804 3.079 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC000876771382 623702407 /nfs/dbraw/zinc/70/24/07/623702407.db2.gz QVCPBVUQQIYCIB-QWRGUYRKSA-N 0 3 315.870 3.003 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000778995711 623718509 /nfs/dbraw/zinc/71/85/09/623718509.db2.gz CEYIDDAHOJBKMJ-KRWDZBQOSA-N 0 3 307.340 3.322 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000876881784 623735353 /nfs/dbraw/zinc/73/53/53/623735353.db2.gz PBSLHINLYJBNAZ-YVSFHVDLSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)CSc1ccccc1 ZINC000876888024 623736974 /nfs/dbraw/zinc/73/69/74/623736974.db2.gz MLRLEYLQJNGPDX-GXTWGEPZSA-N 0 3 312.866 3.143 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000876904261 623741057 /nfs/dbraw/zinc/74/10/57/623741057.db2.gz XEESXHFTVQJKMB-RWSFTLGLSA-N 0 3 310.800 3.130 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000876957201 623754169 /nfs/dbraw/zinc/75/41/69/623754169.db2.gz ULXNVTVAKJDKCI-NSHDSACASA-N 0 3 307.608 3.080 20 30 DGEDHN C[C@H](Cc1cccc(O)c1)NCc1cc(C#N)cnc1Cl ZINC000877018866 623767294 /nfs/dbraw/zinc/76/72/94/623767294.db2.gz RXMXPNFTOHETLK-LLVKDONJSA-N 0 3 301.777 3.033 20 30 DGEDHN COc1cccc(C[C@H](C)NCc2cc(C#N)cnc2Cl)c1 ZINC000877036656 623772272 /nfs/dbraw/zinc/77/22/72/623772272.db2.gz SFYKUUGTJMZZCK-LBPRGKRZSA-N 0 3 315.804 3.336 20 30 DGEDHN C#CCCCCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000779914100 623831425 /nfs/dbraw/zinc/83/14/25/623831425.db2.gz DBGXHXARTPPUFZ-UHFFFAOYSA-N 0 3 304.478 3.293 20 30 DGEDHN Cc1csc([C@H](C)CNCc2cc(C#N)cnc2Cl)n1 ZINC000877333018 623853906 /nfs/dbraw/zinc/85/39/06/623853906.db2.gz MJSAKVXTMLTAQD-SECBINFHSA-N 0 3 306.822 3.265 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1cc(C#N)cnc1Cl)C(C)C ZINC000877423874 623876248 /nfs/dbraw/zinc/87/62/48/623876248.db2.gz MXGMXQYFJPVXRB-INIZCTEOSA-N 0 3 323.824 3.064 20 30 DGEDHN C#CCCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000780305248 623908655 /nfs/dbraw/zinc/90/86/55/623908655.db2.gz GVSIDRLQEXUNIN-QGZVFWFLSA-N 0 3 310.397 3.480 20 30 DGEDHN Cc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)c(O)c1 ZINC000877498831 623913026 /nfs/dbraw/zinc/91/30/26/623913026.db2.gz VIESNDIXTFTEOR-UHFFFAOYSA-N 0 3 307.397 3.153 20 30 DGEDHN C[C@@H]1CC(CCNCc2cc(C#N)cnc2Cl)C[C@@H](C)O1 ZINC000877505387 623916146 /nfs/dbraw/zinc/91/61/46/623916146.db2.gz SNQOCSFQYKKESW-VXGBXAGGSA-N 0 3 307.825 3.290 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC2(c3ccccn3)CCC2)c1 ZINC000877519201 623920967 /nfs/dbraw/zinc/92/09/67/623920967.db2.gz OPFIJSRQIIUJNU-UHFFFAOYSA-N 0 3 312.804 3.213 20 30 DGEDHN CCOC1(C)CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877543740 623935157 /nfs/dbraw/zinc/93/51/57/623935157.db2.gz KXDZQFZPUXRLKC-UHFFFAOYSA-N 0 3 301.434 3.015 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000780634725 623961727 /nfs/dbraw/zinc/96/17/27/623961727.db2.gz RFEXQBBILAURGG-MJGOQNOKSA-N 0 3 312.457 3.349 20 30 DGEDHN Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c([O-])c1 ZINC000877630261 623969887 /nfs/dbraw/zinc/96/98/87/623969887.db2.gz DESMBHRIBITFMP-UHFFFAOYSA-N 0 3 322.408 3.368 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCC2([C@@H]3CCCCO3)CCC2)c1 ZINC000877697841 623995855 /nfs/dbraw/zinc/99/58/55/623995855.db2.gz NQYZQLJEOIZSRG-HNNXBMFYSA-N 0 3 319.836 3.436 20 30 DGEDHN COc1c(C)cnc(CN(C)CCc2cccc(C#N)c2)c1C ZINC000877705175 623999757 /nfs/dbraw/zinc/99/97/57/623999757.db2.gz UWRWAUWSSRPZGL-UHFFFAOYSA-N 0 3 309.413 3.253 20 30 DGEDHN C[C@H](NCCN1CCc2ccccc21)c1ccc(C#N)cc1F ZINC000781419635 624069077 /nfs/dbraw/zinc/06/90/77/624069077.db2.gz BDXUTWFZPJAWTC-AWEZNQCLSA-N 0 3 309.388 3.411 20 30 DGEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cncc(F)c1 ZINC000781639809 624113475 /nfs/dbraw/zinc/11/34/75/624113475.db2.gz VBQYQTPJWDYWHC-AWEZNQCLSA-N 0 3 312.392 3.421 20 30 DGEDHN COCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)CC(C)C ZINC000877966427 624115211 /nfs/dbraw/zinc/11/52/11/624115211.db2.gz KNSASSFUWLRAGE-IBGZPJMESA-N 0 3 316.445 3.031 20 30 DGEDHN N#CCC1(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000878088103 624162857 /nfs/dbraw/zinc/16/28/57/624162857.db2.gz GVQSSIKGVXDPED-KRWDZBQOSA-N 0 3 302.393 3.265 20 30 DGEDHN N#CCC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000878241428 624225045 /nfs/dbraw/zinc/22/50/45/624225045.db2.gz VSQYUNAZLPKLAZ-MRXNPFEDSA-N 0 3 300.402 3.067 20 30 DGEDHN N#CCC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000878241428 624225046 /nfs/dbraw/zinc/22/50/46/624225046.db2.gz VSQYUNAZLPKLAZ-MRXNPFEDSA-N 0 3 300.402 3.067 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878386768 624264474 /nfs/dbraw/zinc/26/44/74/624264474.db2.gz XMJFXZDNBKJUCY-QGZVFWFLSA-N 0 3 305.418 3.038 20 30 DGEDHN CC(C)(C)OC(=O)NC1(C)CCN(CC2(CC#N)CC2)CC1 ZINC000878478678 624286866 /nfs/dbraw/zinc/28/68/66/624286866.db2.gz ONXHVZZOVHBVGZ-UHFFFAOYSA-N 0 3 307.438 3.059 20 30 DGEDHN CC(=NNCCC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000782907795 624289885 /nfs/dbraw/zinc/28/98/85/624289885.db2.gz PDNUQKFKDKHSQV-UHFFFAOYSA-N 0 3 303.450 3.273 20 30 DGEDHN COc1ccc([C@@H](O)C2CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000878635885 624326576 /nfs/dbraw/zinc/32/65/76/624326576.db2.gz SPFBUAMZKJXVMF-GOSISDBHSA-N 0 3 314.429 3.134 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCCCS1 ZINC000783351095 624339739 /nfs/dbraw/zinc/33/97/39/624339739.db2.gz TWLIRYHBQSNQPA-CHWSQXEVSA-N 0 3 322.817 3.273 20 30 DGEDHN C#CC[C@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878760259 624355190 /nfs/dbraw/zinc/35/51/90/624355190.db2.gz HKJSMLGGKUUZOJ-AZUAARDMSA-N 0 3 308.425 3.162 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)o1 ZINC000878766530 624356279 /nfs/dbraw/zinc/35/62/79/624356279.db2.gz ZIJVAHVTWFLTTR-RTBURBONSA-N 0 3 310.397 3.109 20 30 DGEDHN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(CC1(CC#N)CC1)C2 ZINC000879020412 624410139 /nfs/dbraw/zinc/41/01/39/624410139.db2.gz LGRYLSXGAJAIIS-KDOFPFPSSA-N 0 3 319.449 3.059 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000879240506 624458402 /nfs/dbraw/zinc/45/84/02/624458402.db2.gz MHLZFCUFJLSXRB-RBUKOAKNSA-N 0 3 310.372 3.395 20 30 DGEDHN COC(=O)C[C@@](C)(NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000879441937 624549402 /nfs/dbraw/zinc/54/94/02/624549402.db2.gz JGULMUVSRZIBDP-QGZVFWFLSA-N 0 3 305.805 3.013 20 30 DGEDHN COc1cccc(CN2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000879448702 624551464 /nfs/dbraw/zinc/55/14/64/624551464.db2.gz BSSWJEULIYCDQZ-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN CC#CCCN1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879615705 624607548 /nfs/dbraw/zinc/60/75/48/624607548.db2.gz PZHXVDDZOYQFEP-UHFFFAOYSA-N 0 3 320.502 3.223 20 30 DGEDHN COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651497 624624203 /nfs/dbraw/zinc/62/42/03/624624203.db2.gz YFOIRSRINJXYKZ-ZDUSSCGKSA-N 0 3 312.369 3.002 20 30 DGEDHN COc1cc(C#N)ccc1CNC1([C@H]2CCCCO2)CCC1 ZINC000879734972 624657262 /nfs/dbraw/zinc/65/72/62/624657262.db2.gz QGUKBCIFHHPBIE-QGZVFWFLSA-N 0 3 300.402 3.148 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785481676 624674988 /nfs/dbraw/zinc/67/49/88/624674988.db2.gz NVQDRGHSRJTUGF-CQSZACIVSA-N 0 3 308.422 3.223 20 30 DGEDHN C#CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785616552 624702310 /nfs/dbraw/zinc/70/23/10/624702310.db2.gz FBEQOWNMALIVSX-FQEVSTJZSA-N 0 3 302.377 3.347 20 30 DGEDHN CC(C)C[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533370 624913302 /nfs/dbraw/zinc/91/33/02/624913302.db2.gz DLQIPISGMIHSOC-DOMZBBRYSA-N 0 3 320.820 3.347 20 30 DGEDHN C=CCCC[C@@H](NCC(=O)NCc1ccccn1)c1ccccc1 ZINC000880387497 624947752 /nfs/dbraw/zinc/94/77/52/624947752.db2.gz BBVSWHSWOJRJEC-LJQANCHMSA-N 0 3 323.440 3.385 20 30 DGEDHN N#Cc1ccc(COC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786820919 624956623 /nfs/dbraw/zinc/95/66/23/624956623.db2.gz IHMAFVJPRZWVPV-UHFFFAOYSA-N 0 3 320.392 3.050 20 30 DGEDHN C#CCC1(O)CCN(Cc2cccc(OCC(C)C)c2)CC1 ZINC000880482357 624965001 /nfs/dbraw/zinc/96/50/01/624965001.db2.gz GTQOBFPACYMFEQ-UHFFFAOYSA-N 0 3 301.430 3.072 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000880479035 624965484 /nfs/dbraw/zinc/96/54/84/624965484.db2.gz JVDMDQYJUJQMNO-UHFFFAOYSA-N 0 3 322.408 3.224 20 30 DGEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)cc2F)cn1 ZINC000880518286 624971355 /nfs/dbraw/zinc/97/13/55/624971355.db2.gz ZWULZMOAQWMTHT-ZNXRZULTSA-N 0 3 324.403 3.341 20 30 DGEDHN CC(=NN[C@@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000788456580 625179958 /nfs/dbraw/zinc/17/99/58/625179958.db2.gz MQXPQYQSRPTGNK-QGZVFWFLSA-N 0 3 301.434 3.170 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788560962 625216328 /nfs/dbraw/zinc/21/63/28/625216328.db2.gz CWCPTRUVSSEOKO-NWDGAFQWSA-N 0 3 310.357 3.460 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1COCc2cccc(Cl)c21 ZINC000788801165 625270261 /nfs/dbraw/zinc/27/02/61/625270261.db2.gz LAAMOUSOKCQJLM-MJEQTWJJSA-N 0 3 307.821 3.482 20 30 DGEDHN C#CCN1CCC(C(=O)NCC2(C)CCC(C)(C)CC2)CC1 ZINC000839839335 626189140 /nfs/dbraw/zinc/18/91/40/626189140.db2.gz KOXSDPMVNISXSW-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2C2CC2)c1 ZINC000798816206 626247739 /nfs/dbraw/zinc/24/77/39/626247739.db2.gz ITGJFRBFZDWXLJ-OAHLLOKOSA-N 0 3 324.336 3.127 20 30 DGEDHN CCOCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000799609451 626312491 /nfs/dbraw/zinc/31/24/91/626312491.db2.gz PHGCYUVEAMZTJO-LLVKDONJSA-N 0 3 318.373 3.428 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC1(COC)CCC1 ZINC000800281023 626347724 /nfs/dbraw/zinc/34/77/24/626347724.db2.gz YQNNPGOENZYJRJ-UHFFFAOYSA-N 0 3 307.821 3.258 20 30 DGEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103640229 626395110 /nfs/dbraw/zinc/39/51/10/626395110.db2.gz VFFURERZEJGNIF-WMLDXEAASA-N 0 3 312.413 3.338 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000801936282 626427047 /nfs/dbraw/zinc/42/70/47/626427047.db2.gz MGUQUVZGGRPGPM-LSDHHAIUSA-N 0 3 322.836 3.359 20 30 DGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000802797185 626573637 /nfs/dbraw/zinc/57/36/37/626573637.db2.gz QMRFYIQOSUZNNT-CZUORRHYSA-N 0 3 300.402 3.146 20 30 DGEDHN C=CCC[C@@H](NCc1nc2cc(F)ccc2n1C)[C@@H]1CCCO1 ZINC000883204407 626607569 /nfs/dbraw/zinc/60/75/69/626607569.db2.gz ZUALGZHPUFLLHG-PBHICJAKSA-N 0 3 317.408 3.316 20 30 DGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1sccc1Br ZINC000883390418 626670857 /nfs/dbraw/zinc/67/08/57/626670857.db2.gz LPCNZBGJGMREEE-UWVGGRQHSA-N 0 3 304.253 3.488 20 30 DGEDHN CCSCC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1ccccc1 ZINC000807981242 626782207 /nfs/dbraw/zinc/78/22/07/626782207.db2.gz FNENWRQAVZYQBG-GASCZTMLSA-N 0 3 316.474 3.004 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1COc2ccccc2[C@@H]1O ZINC000808729512 626855083 /nfs/dbraw/zinc/85/50/83/626855083.db2.gz LBIFQDXXMMZYII-NSHGMRRFSA-N 0 3 320.392 3.020 20 30 DGEDHN CC[C@@H](C)c1cccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884429701 626879341 /nfs/dbraw/zinc/87/93/41/626879341.db2.gz RLRIRONUOHKZGE-KQZBIBICSA-N 0 3 311.429 3.278 20 30 DGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CCC2CC2)cc1 ZINC000135270392 626918989 /nfs/dbraw/zinc/91/89/89/626918989.db2.gz IXZMBDTYMLHTIP-MRXNPFEDSA-N 0 3 313.445 3.362 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc(C(=O)OC)cc2)cc1 ZINC000809733423 626942951 /nfs/dbraw/zinc/94/29/51/626942951.db2.gz VWVMDNIJMBBEOQ-UHFFFAOYSA-N 0 3 323.392 3.165 20 30 DGEDHN CC1(C)CN(CCCOc2ccc(C#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000810023747 626969399 /nfs/dbraw/zinc/96/93/99/626969399.db2.gz IVIUEDWJMQZYOS-ZWKOTPCHSA-N 0 3 314.429 3.217 20 30 DGEDHN CC1(C)CN(CCCOc2ccc(C#N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000810023745 626969431 /nfs/dbraw/zinc/96/94/31/626969431.db2.gz IVIUEDWJMQZYOS-QZTJIDSGSA-N 0 3 314.429 3.217 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCN3CCC)cc21 ZINC000885577028 627027930 /nfs/dbraw/zinc/02/79/30/627027930.db2.gz QEPRORGXPNBEFQ-INIZCTEOSA-N 0 3 312.417 3.035 20 30 DGEDHN C#CC[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC000810750663 627044717 /nfs/dbraw/zinc/04/47/17/627044717.db2.gz NFYVGSYKELFRRD-QFBILLFUSA-N 0 3 316.420 3.080 20 30 DGEDHN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886018840 627085720 /nfs/dbraw/zinc/08/57/20/627085720.db2.gz IGMMNEFMGHPGJL-KBPBESRZSA-N 0 3 321.490 3.452 20 30 DGEDHN CC[C@@](C)(NC[C@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886072803 627098817 /nfs/dbraw/zinc/09/88/17/627098817.db2.gz MZGHNGFWYQDHLO-UKRRQHHQSA-N 0 3 307.463 3.111 20 30 DGEDHN CN(Cc1ccc(F)c(Cl)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886171821 627116985 /nfs/dbraw/zinc/11/69/85/627116985.db2.gz PEGLWQLXUPEYQR-ZDUSSCGKSA-N 0 3 310.800 3.356 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2c(CC)cccc2CC)C1 ZINC000886356395 627141816 /nfs/dbraw/zinc/14/18/16/627141816.db2.gz YVVAWUJYPYSNMF-JKSUJKDBSA-N 0 3 312.457 3.484 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000886361326 627143147 /nfs/dbraw/zinc/14/31/47/627143147.db2.gz BNCKBNMIBSZDBA-HOTGVXAUSA-N 0 3 324.424 3.297 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000886361624 627143270 /nfs/dbraw/zinc/14/32/70/627143270.db2.gz OZKXWKJCXIYXJJ-BZUAXINKSA-N 0 3 316.470 3.145 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CSC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000886571597 627165908 /nfs/dbraw/zinc/16/59/08/627165908.db2.gz BIMCYQHXUXOWOU-BETUJISGSA-N 0 3 312.360 3.372 20 30 DGEDHN C#CCN(C(=O)c1ccc(C(C)(C)C)s1)C1CCN(C)CC1 ZINC000886579798 627167065 /nfs/dbraw/zinc/16/70/65/627167065.db2.gz ILBAGOOELUGDBQ-UHFFFAOYSA-N 0 3 318.486 3.215 20 30 DGEDHN C[C@H](NC[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(C#N)cc1F ZINC000886763639 627201375 /nfs/dbraw/zinc/20/13/75/627201375.db2.gz AROAGBPDZPSWRV-ZFHGCVPZSA-N 0 3 318.392 3.075 20 30 DGEDHN C=CCC1(O)CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000886776615 627203683 /nfs/dbraw/zinc/20/36/83/627203683.db2.gz KXUJCHUAKRKZFG-UHFFFAOYSA-N 0 3 313.800 3.261 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886832728 627210462 /nfs/dbraw/zinc/21/04/62/627210462.db2.gz MAWLRDNOZMKFSU-CJNGLKHVSA-N 0 3 320.820 3.243 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486281 627280544 /nfs/dbraw/zinc/28/05/44/627280544.db2.gz LABYPXKAUBDZCE-SECBINFHSA-N 0 3 319.188 3.176 20 30 DGEDHN COc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1C#N ZINC000812724875 627413575 /nfs/dbraw/zinc/41/35/75/627413575.db2.gz ORSJXCVADZLWKN-GOSISDBHSA-N 0 3 308.381 3.440 20 30 DGEDHN CCCCCCCCCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889774964 627466218 /nfs/dbraw/zinc/46/62/18/627466218.db2.gz KSQIPCNFBGDXSD-ZWKOTPCHSA-N 0 3 324.509 3.185 20 30 DGEDHN CO[C@@](C)(C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813216907 627468935 /nfs/dbraw/zinc/46/89/35/627468935.db2.gz HRQAJXIIHKTQPH-SMDDNHRTSA-N 0 3 312.291 3.092 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000813854577 627516223 /nfs/dbraw/zinc/51/62/23/627516223.db2.gz BIAVDKTUYZSLHA-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN CCc1ccc(C#CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000814363520 627561011 /nfs/dbraw/zinc/56/10/11/627561011.db2.gz NOKIJZBPQYJEQF-HXUWFJFHSA-N 0 3 320.436 3.020 20 30 DGEDHN O=[N+]([O-])c1cccc(NNC2=C[C@H](C(F)(F)F)OCC2)c1 ZINC000814694303 627584251 /nfs/dbraw/zinc/58/42/51/627584251.db2.gz DSTLHXQKMHSRKS-LLVKDONJSA-N 0 3 303.240 3.104 20 30 DGEDHN C#CCNC(=O)CCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000815103862 627626979 /nfs/dbraw/zinc/62/69/79/627626979.db2.gz YSKYTPXSJIVYAM-MRXNPFEDSA-N 0 3 304.821 3.007 20 30 DGEDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000925219092 627720143 /nfs/dbraw/zinc/72/01/43/627720143.db2.gz BOQONAMURTWDGF-INMHGKMJSA-N 0 3 301.434 3.177 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000926239552 627868537 /nfs/dbraw/zinc/86/85/37/627868537.db2.gz JMYDNIOCRZQKNY-HOCLYGCPSA-N 0 3 305.466 3.228 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(Br)n1 ZINC000926530241 627909679 /nfs/dbraw/zinc/90/96/79/627909679.db2.gz FLKSTNCBEXRFFC-UHTWSYAYSA-N 0 3 311.223 3.228 20 30 DGEDHN CC(C)(C)OC(=O)NCC1CC(NCC2(C#N)CCCCC2)C1 ZINC000926709997 627937455 /nfs/dbraw/zinc/93/74/55/627937455.db2.gz HGJBUCQHVOZDEG-UHFFFAOYSA-N 0 3 321.465 3.353 20 30 DGEDHN C#CCN1CCC[C@@H](N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000926863603 627965559 /nfs/dbraw/zinc/96/55/59/627965559.db2.gz AJAZESLPHCEHGY-CTNGQTDRSA-N 0 3 319.452 3.167 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC(C)(C)C#N)C12CCCC2 ZINC000926874333 627968155 /nfs/dbraw/zinc/96/81/55/627968155.db2.gz OXMOUEOCMBOCNK-CQSZACIVSA-N 0 3 321.465 3.448 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1sc2ccccc2c1Cl ZINC000818612401 628042844 /nfs/dbraw/zinc/04/28/44/628042844.db2.gz YODUAAIBDRHVHB-UHFFFAOYSA-N 0 3 320.845 3.240 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cccc(Nc2ccccc2)c1 ZINC000818612108 628043205 /nfs/dbraw/zinc/04/32/05/628043205.db2.gz NSDYDLUGCXAQLL-UHFFFAOYSA-N 0 3 321.424 3.115 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000819017082 628079148 /nfs/dbraw/zinc/07/91/48/628079148.db2.gz COBJGJPENGBACN-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN N#Cc1ccc([C@@H](O)CNCc2ccccc2OCC2CC2)cc1 ZINC000819093523 628091058 /nfs/dbraw/zinc/09/10/58/628091058.db2.gz SFURUEITMJHLAI-IBGZPJMESA-N 0 3 322.408 3.170 20 30 DGEDHN COc1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)nc1 ZINC000821620067 628388613 /nfs/dbraw/zinc/38/86/13/628388613.db2.gz WWSFYVGGIQNAIG-CYBMUJFWSA-N 0 3 323.377 3.119 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823894324 628608058 /nfs/dbraw/zinc/60/80/58/628608058.db2.gz NHKWYENGEZEOQJ-GFCCVEGCSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823894324 628608060 /nfs/dbraw/zinc/60/80/60/628608060.db2.gz NHKWYENGEZEOQJ-GFCCVEGCSA-N 0 3 303.385 3.230 20 30 DGEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 ZINC000825118960 628729774 /nfs/dbraw/zinc/72/97/74/628729774.db2.gz ZRLCDSGGKMDKGT-QRVBRYPASA-N 0 3 323.440 3.151 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCC[C@@H]1CCOC1 ZINC000825144448 628732537 /nfs/dbraw/zinc/73/25/37/628732537.db2.gz NPMCTUJJEGPWDL-CQSZACIVSA-N 0 3 307.821 3.258 20 30 DGEDHN C#CCOc1ccccc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000827376285 628953774 /nfs/dbraw/zinc/95/37/74/628953774.db2.gz BVKLIWLVDBSXQX-LJQANCHMSA-N 0 3 313.441 3.480 20 30 DGEDHN CC(C)(C)OC(=O)NCC1(CNCC2(C#N)CCCCC2)CC1 ZINC000827383257 628954477 /nfs/dbraw/zinc/95/44/77/628954477.db2.gz DCEKREBZIKSJSX-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000827629477 628978088 /nfs/dbraw/zinc/97/80/88/628978088.db2.gz KNINDGAYKVJIMH-AWEZNQCLSA-N 0 3 311.385 3.345 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(F)(F)CC)CC1 ZINC000828986913 629116925 /nfs/dbraw/zinc/11/69/25/629116925.db2.gz IPLMXMSUILUVRX-UHFFFAOYSA-N 0 3 320.383 3.472 20 30 DGEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000829794133 629193434 /nfs/dbraw/zinc/19/34/34/629193434.db2.gz SCDAUDKNOJKDNW-AWEZNQCLSA-N 0 3 311.381 3.042 20 30 DGEDHN C#CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000829794133 629193435 /nfs/dbraw/zinc/19/34/35/629193435.db2.gz SCDAUDKNOJKDNW-AWEZNQCLSA-N 0 3 311.381 3.042 20 30 DGEDHN C#CC[C@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 ZINC000829806144 629195244 /nfs/dbraw/zinc/19/52/44/629195244.db2.gz ZWPXZPGHTPVTJN-BBRMVZONSA-N 0 3 322.246 3.218 20 30 DGEDHN N#Cc1ccc([C@@H](O)CNC2(c3ccccc3F)CCC2)cc1 ZINC000829901606 629206985 /nfs/dbraw/zinc/20/69/85/629206985.db2.gz YKEXGJXVGIEUEC-SFHVURJKSA-N 0 3 310.372 3.400 20 30 DGEDHN CC[C@@H]1CN(CC)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000831964721 629432223 /nfs/dbraw/zinc/43/22/23/629432223.db2.gz GIQLUEIILBYIAL-MRXNPFEDSA-N 0 3 321.852 3.158 20 30 DGEDHN C#CCCOc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000840956687 630385148 /nfs/dbraw/zinc/38/51/48/630385148.db2.gz BWPNFVGZVYNKPO-PZJWPPBQSA-N 0 3 321.420 3.397 20 30 DGEDHN c1ccc([C@H]2CC(=NN[C@H]3CCSC3)CCN2C2CC2)cc1 ZINC000841638868 630450781 /nfs/dbraw/zinc/45/07/81/630450781.db2.gz ZLQHWPUBVYLCHP-FUHWJXTLSA-N 0 3 315.486 3.437 20 30 DGEDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841894061 630474004 /nfs/dbraw/zinc/47/40/04/630474004.db2.gz LUIZRGNASQEFAZ-QGZVFWFLSA-N 0 3 308.381 3.440 20 30 DGEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284343 630510819 /nfs/dbraw/zinc/51/08/19/630510819.db2.gz IMARELGYNJPCJL-ZBFHGGJFSA-N 0 3 301.390 3.008 20 30 DGEDHN CC(C)[C@@H](C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842298131 630512947 /nfs/dbraw/zinc/51/29/47/630512947.db2.gz DALGLERGUXNRLI-QGZVFWFLSA-N 0 3 300.402 3.377 20 30 DGEDHN CC(=NN(C)[C@@H](C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000842544073 630545798 /nfs/dbraw/zinc/54/57/98/630545798.db2.gz DYGAZFDQWDSJDB-HNNXBMFYSA-N 0 3 303.450 3.104 20 30 DGEDHN C#CC[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000842629000 630556346 /nfs/dbraw/zinc/55/63/46/630556346.db2.gz HVDLZMQNMOLCTB-OAHLLOKOSA-N 0 3 324.384 3.151 20 30 DGEDHN CN(CC(=O)C(C#N)c1nc(C2CC2)cs1)c1ccccc1 ZINC000842941537 630596496 /nfs/dbraw/zinc/59/64/96/630596496.db2.gz QPXNJDCMDFCJNJ-AWEZNQCLSA-N 0 3 311.410 3.333 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(N(C)C)c2)cc1 ZINC000105434107 630710368 /nfs/dbraw/zinc/71/03/68/630710368.db2.gz KESJJKAVWPPFOD-OAHLLOKOSA-N 0 3 309.413 3.333 20 30 DGEDHN Cc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)nc1 ZINC000844181367 630711649 /nfs/dbraw/zinc/71/16/49/630711649.db2.gz ZBGRLSLMXFZDDX-MRXNPFEDSA-N 0 3 324.384 3.142 20 30 DGEDHN C[C@@H]1CCCC[C@H]1OCCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369235 630721745 /nfs/dbraw/zinc/72/17/45/630721745.db2.gz XAXMBVFVHMRRTD-AYOQOUSVSA-N 0 3 316.445 3.119 20 30 DGEDHN Cc1ccc(C)c(OCCN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844369740 630721921 /nfs/dbraw/zinc/72/19/21/630721921.db2.gz ZIMLFOHDQNYALC-IBGZPJMESA-N 0 3 324.424 3.219 20 30 DGEDHN COc1ccccc1/C=C/CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006309 631205454 /nfs/dbraw/zinc/20/54/54/631205454.db2.gz KGHBBWUVXAVLHW-ZAOIQFLMSA-N 0 3 322.408 3.245 20 30 DGEDHN CC(C)O[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000846013883 631206113 /nfs/dbraw/zinc/20/61/13/631206113.db2.gz FKWPDUZNEWIRFU-YJBOKZPZSA-N 0 3 302.418 3.367 20 30 DGEDHN CCCCOC(=O)C/N=C/c1ccc(N(CC)CC)cc1O ZINC000106586458 631342755 /nfs/dbraw/zinc/34/27/55/631342755.db2.gz XWWKIADQIMRNGN-LDADJPATSA-N 0 3 306.406 3.001 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000847254044 631448686 /nfs/dbraw/zinc/44/86/86/631448686.db2.gz CMWUEDPRPXFWHA-IAGOWNOFSA-N 0 3 302.462 3.093 20 30 DGEDHN N#CC1(COC(=O)c2ccoc2)CCN(Cc2ccccc2)CC1 ZINC000847746065 631531716 /nfs/dbraw/zinc/53/17/16/631531716.db2.gz XKWVSLLZDRQBKP-UHFFFAOYSA-N 0 3 324.380 3.242 20 30 DGEDHN C[C@@H](COC(=O)C1(c2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000847960663 631585664 /nfs/dbraw/zinc/58/56/64/631585664.db2.gz ADTBOTZQYQRDJV-HNNXBMFYSA-N 0 3 312.413 3.007 20 30 DGEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1CCCN2CCCC[C@H]12 ZINC000848404087 631654523 /nfs/dbraw/zinc/65/45/23/631654523.db2.gz JUTBGCVHMPYEEG-MRXNPFEDSA-N 0 3 302.378 3.319 20 30 DGEDHN O=[N+]([O-])c1cc(N=NC2CCCN3CCCC[C@H]23)ccc1F ZINC000848408292 631655755 /nfs/dbraw/zinc/65/57/55/631655755.db2.gz IJVGUKJNTCBTNU-CQSZACIVSA-N 0 3 306.341 3.150 20 30 DGEDHN C=C[C@H](CO)NCc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000850410276 632143114 /nfs/dbraw/zinc/14/31/14/632143114.db2.gz KDPHDHKQFZELJZ-LJQANCHMSA-N 0 3 310.441 3.350 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419435 632146643 /nfs/dbraw/zinc/14/66/43/632146643.db2.gz DXERHFFSKZZJJI-VCBZYWHSSA-N 0 3 310.397 3.189 20 30 DGEDHN C[C@H](O)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850584827 632202527 /nfs/dbraw/zinc/20/25/27/632202527.db2.gz SXSABXLLYQSWSP-DOXZYTNZSA-N 0 3 310.397 3.362 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCF ZINC000850759579 632217029 /nfs/dbraw/zinc/21/70/29/632217029.db2.gz KSPACSCFXFDDML-AWEZNQCLSA-N 0 3 304.365 3.208 20 30 DGEDHN N#CC(C(=O)CCCF)C(=O)Nc1ccc(Cl)cc1Cl ZINC000850758622 632217126 /nfs/dbraw/zinc/21/71/26/632217126.db2.gz HTJUDYCHEAMBMO-SECBINFHSA-N 0 3 317.147 3.390 20 30 DGEDHN CCCCCCN(C)CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000109944801 632388750 /nfs/dbraw/zinc/38/87/50/632388750.db2.gz SWJBTUGGDINELJ-UHFFFAOYSA-N 0 3 301.434 3.029 20 30 DGEDHN C#CCOCCN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000851904473 632519324 /nfs/dbraw/zinc/51/93/24/632519324.db2.gz XZFTUFLPODCQRT-FQEVSTJZSA-N 0 3 309.409 3.184 20 30 DGEDHN C#CCOCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000851920781 632521792 /nfs/dbraw/zinc/52/17/92/632521792.db2.gz FSZQODBKGOXCJX-SFHVURJKSA-N 0 3 314.816 3.258 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000852096674 632553445 /nfs/dbraw/zinc/55/34/45/632553445.db2.gz FGDLBJIATWZMDG-OXJNMPFZSA-N 0 3 312.457 3.205 20 30 DGEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000852099243 632554034 /nfs/dbraw/zinc/55/40/34/632554034.db2.gz HSKAWRDHEHIWEU-GDZNZVCISA-N 0 3 306.837 3.297 20 30 DGEDHN C=CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@H](C)COC 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20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](C)C1 ZINC000944788897 660232431 /nfs/dbraw/zinc/23/24/31/660232431.db2.gz HQFOERZECONMEW-XJKSGUPXSA-N 0 3 318.486 3.082 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(CC)c(C)s2)[C@H](C)C1 ZINC000944787154 660232448 /nfs/dbraw/zinc/23/24/48/660232448.db2.gz BKDCJLFPZGVVHJ-IUODEOHRSA-N 0 3 306.475 3.245 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@H](C)C1 ZINC000944789971 660232590 /nfs/dbraw/zinc/23/25/90/660232590.db2.gz NHOPUHPAIYRNKS-HUUCEWRRSA-N 0 3 318.486 3.082 20 30 DGEDHN C#CCOc1ccccc1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000185762132 660239669 /nfs/dbraw/zinc/23/96/69/660239669.db2.gz SPAOBANPZVAYCD-UHFFFAOYSA-N 0 3 323.396 3.404 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)[C@@H](C)C1 ZINC000945180787 660243108 /nfs/dbraw/zinc/24/31/08/660243108.db2.gz LOZRTQKHCUCAAD-HOCLYGCPSA-N 0 3 312.413 3.367 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1 ZINC000996229753 660277918 /nfs/dbraw/zinc/27/79/18/660277918.db2.gz VNTHLGOJKYHEPO-APWZRJJASA-N 0 3 315.461 3.011 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC000996136597 660275487 /nfs/dbraw/zinc/27/54/87/660275487.db2.gz PULJCVBYMFDNHC-MRXNPFEDSA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc(Cl)c2C)CC1 ZINC000997109090 660309518 /nfs/dbraw/zinc/30/95/18/660309518.db2.gz SKBNPYCAIAQCGB-CQSZACIVSA-N 0 3 318.848 3.112 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@H](C)C2CCN(CC#CC)CC2)cc1 ZINC000997309301 660319009 /nfs/dbraw/zinc/31/90/09/660319009.db2.gz OLKFADGWZYQRSR-MRXNPFEDSA-N 0 3 310.441 3.183 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000997337312 660319276 /nfs/dbraw/zinc/31/92/76/660319276.db2.gz LBNNSHNLRHBRPR-AHRSYUTCSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000997348530 660319932 /nfs/dbraw/zinc/31/99/32/660319932.db2.gz OZZHNYVTZKQDCP-CYBMUJFWSA-N 0 3 320.383 3.088 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCC2)cc1 ZINC001032434684 660321423 /nfs/dbraw/zinc/32/14/23/660321423.db2.gz SATHZFSGINISMO-OALUTQOASA-N 0 3 310.441 3.429 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)CC1 ZINC000997418076 660324508 /nfs/dbraw/zinc/32/45/08/660324508.db2.gz NLJAEDWQQDZDAO-QGZVFWFLSA-N 0 3 312.457 3.075 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000997586074 660334161 /nfs/dbraw/zinc/33/41/61/660334161.db2.gz JNEZCZXNQFPFOQ-RYQLBKOJSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C23CCC(CC2)C3(C)C)CC1 ZINC000997786358 660344388 /nfs/dbraw/zinc/34/43/88/660344388.db2.gz FMBNPPXXGPIXLB-FVWXCPNNSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)C[C@H]1C ZINC000947933454 660339061 /nfs/dbraw/zinc/33/90/61/660339061.db2.gz ASKAODVITXYNRF-UKRRQHHQSA-N 0 3 304.434 3.173 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1C1CC1 ZINC001032539435 660339861 /nfs/dbraw/zinc/33/98/61/660339861.db2.gz 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C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2C)C1 ZINC001033939681 660684372 /nfs/dbraw/zinc/68/43/72/660684372.db2.gz ZMFJNXUNCRKSKT-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001033939755 660684578 /nfs/dbraw/zinc/68/45/78/660684578.db2.gz ACWGDQDUSOMTAV-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033970858 660687248 /nfs/dbraw/zinc/68/72/48/660687248.db2.gz UJPFVVXMVPAHCN-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001033982194 660689904 /nfs/dbraw/zinc/68/99/04/660689904.db2.gz QPXYXWSNUCQLIT-OJAHFUOMSA-N 0 3 324.468 3.071 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034049566 660701989 /nfs/dbraw/zinc/70/19/89/660701989.db2.gz AVOZTSXQBSZJMC-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034051058 660702567 /nfs/dbraw/zinc/70/25/67/660702567.db2.gz RTOFENPITZFKAJ-JCYILVPMSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC001034030799 660696298 /nfs/dbraw/zinc/69/62/98/660696298.db2.gz WDHYHEIOXLLXLB-INIZCTEOSA-N 0 3 306.837 3.453 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001034253321 660729744 /nfs/dbraw/zinc/72/97/44/660729744.db2.gz HUBOKYYJMNLKIM-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001034299376 660734325 /nfs/dbraw/zinc/73/43/25/660734325.db2.gz PIZCOOUJBONJLT-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001034331771 660738275 /nfs/dbraw/zinc/73/82/75/660738275.db2.gz ZWUVORNJBQWVJF-MRXNPFEDSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001034344241 660740657 /nfs/dbraw/zinc/74/06/57/660740657.db2.gz HPSBWOYHPFNFOF-MRXNPFEDSA-N 0 3 304.409 3.213 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001034399722 660747366 /nfs/dbraw/zinc/74/73/66/660747366.db2.gz UNYYHENCHMIEFC-AWEZNQCLSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034395091 660747517 /nfs/dbraw/zinc/74/75/17/660747517.db2.gz SKGCSKMVVNDARH-LSDHHAIUSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001034416368 660751122 /nfs/dbraw/zinc/75/11/22/660751122.db2.gz NVHQLWYOKNLPHR-FUHWJXTLSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001034445000 660752119 /nfs/dbraw/zinc/75/21/19/660752119.db2.gz OQCACJIAYWFBKR-ZBFHGGJFSA-N 0 3 304.434 3.157 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034464651 660755198 /nfs/dbraw/zinc/75/51/98/660755198.db2.gz ARYGUVRPGCSJJE-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001034468701 660755699 /nfs/dbraw/zinc/75/56/99/660755699.db2.gz PVEYGTCZKVYIOJ-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001034471069 660758260 /nfs/dbraw/zinc/75/82/60/660758260.db2.gz AOPMMLXMWDWDHW-OAHLLOKOSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001034484229 660761237 /nfs/dbraw/zinc/76/12/37/660761237.db2.gz KTJIUHNSOBIQLQ-HNNXBMFYSA-N 0 3 304.434 3.393 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001034502278 660762717 /nfs/dbraw/zinc/76/27/17/660762717.db2.gz SINJLFSZKTYDRL-AEFFLSMTSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001034505303 660762780 /nfs/dbraw/zinc/76/27/80/660762780.db2.gz DHAQQTCQGAOQIM-AZRLCKCBSA-N 0 3 316.489 3.360 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001034510722 660764685 /nfs/dbraw/zinc/76/46/85/660764685.db2.gz KGHOFPPYBKKIRL-CYBMUJFWSA-N 0 3 324.877 3.318 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001034522840 660766642 /nfs/dbraw/zinc/76/66/42/660766642.db2.gz XGOLJRRUISYPAA-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034522260 660768840 /nfs/dbraw/zinc/76/88/40/660768840.db2.gz UOTWFFOPWJEYKI-INIZCTEOSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001034551583 660768922 /nfs/dbraw/zinc/76/89/22/660768922.db2.gz URSSIYRONOVJKM-KRWDZBQOSA-N 0 3 314.473 3.429 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001034550991 660768938 /nfs/dbraw/zinc/76/89/38/660768938.db2.gz NIEXZUORABDLCZ-CQSZACIVSA-N 0 3 315.392 3.077 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001034544973 660771643 /nfs/dbraw/zinc/77/16/43/660771643.db2.gz MVKFOVMRYAVKOK-FGTMMUONSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001034546058 660772221 /nfs/dbraw/zinc/77/22/21/660772221.db2.gz FJRIPKSZVJMCSP-QGZVFWFLSA-N 0 3 304.409 3.317 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001034548477 660772532 /nfs/dbraw/zinc/77/25/32/660772532.db2.gz OCJVYQBCSMPEFL-ACBHZAAOSA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001045604820 660795478 /nfs/dbraw/zinc/79/54/78/660795478.db2.gz AEBGOXOMTPGTJJ-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034861098 660799010 /nfs/dbraw/zinc/79/90/10/660799010.db2.gz IOKNGOKDONLLDM-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1sccc1C)CC2 ZINC001035637093 660840535 /nfs/dbraw/zinc/84/05/35/660840535.db2.gz CMTSWYFSHKXWGE-UHFFFAOYSA-N 0 3 304.459 3.171 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1oc(C)cc1C)CC2 ZINC001035679922 660844207 /nfs/dbraw/zinc/84/42/07/660844207.db2.gz ADMRCYVJPVIFIQ-UHFFFAOYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)cs1)CC2 ZINC001035702084 660845769 /nfs/dbraw/zinc/84/57/69/660845769.db2.gz PQJGGCYBEOHVMC-UHFFFAOYSA-N 0 3 304.459 3.171 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccc(C)cc1)CC2 ZINC001035744359 660847402 /nfs/dbraw/zinc/84/74/02/660847402.db2.gz IMZAFDXMBRPHJP-UHFFFAOYSA-N 0 3 312.457 3.038 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC=CCCC1)CC2 ZINC001035730606 660847537 /nfs/dbraw/zinc/84/75/37/660847537.db2.gz RKURBYWMEQYQKZ-SFHVURJKSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@]1(C)CC=C(C)CC1)CC2 ZINC001035857163 660860359 /nfs/dbraw/zinc/86/03/59/660860359.db2.gz ZBAHOWVNYKZCCE-IBGZPJMESA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H]1CCCC[C@H]1C)CC2 ZINC001035859344 660860684 /nfs/dbraw/zinc/86/06/84/660860684.db2.gz AERZOUCKBVRKFV-QZTJIDSGSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000947966749 660942294 /nfs/dbraw/zinc/94/22/94/660942294.db2.gz HVLIFUDLGJQQCV-VQIMIIECSA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@]3(C)CC)CC[C@@H]2C1 ZINC000946843330 660943331 /nfs/dbraw/zinc/94/33/31/660943331.db2.gz XTHZPUJIQJWYNN-HPFXQQBRSA-N 0 3 324.896 3.346 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)C[C@@H]1C ZINC000947974951 660957653 /nfs/dbraw/zinc/95/76/53/660957653.db2.gz JELXSMJBBCLBQF-WMZOPIPTSA-N 0 3 316.489 3.339 20 30 DGEDHN COc1ccc(N=NC2C[C@H](C)N(C)C2)c(C(F)(F)F)c1 ZINC000793099756 661004817 /nfs/dbraw/zinc/00/48/17/661004817.db2.gz WBIIKLOYHWXZHL-VIFPVBQESA-N 0 3 301.312 3.206 20 30 DGEDHN CC(=NN[C@@H](C)C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000793113445 661005543 /nfs/dbraw/zinc/00/55/43/661005543.db2.gz FLACRAVSTBCGHT-HNNXBMFYSA-N 0 3 303.450 3.271 20 30 DGEDHN COCC1(C(=O)C(C#N)c2nc3ccccc3s2)CCC1 ZINC000793118714 661005900 /nfs/dbraw/zinc/00/59/00/661005900.db2.gz DPVYKFIIJONWMD-LLVKDONJSA-N 0 3 300.383 3.289 20 30 DGEDHN COCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCC1 ZINC000793146567 661007763 /nfs/dbraw/zinc/00/77/63/661007763.db2.gz HUTIXVDRZKHTFK-LLVKDONJSA-N 0 3 318.373 3.428 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC000969111970 655523440 /nfs/dbraw/zinc/52/34/40/655523440.db2.gz WHEHMZOXWCEKBV-AWEZNQCLSA-N 0 3 319.449 3.133 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC000969118847 655525067 /nfs/dbraw/zinc/52/50/67/655525067.db2.gz YCANVGDXVBJDDL-QGZVFWFLSA-N 0 3 317.477 3.374 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC000969121035 655525459 /nfs/dbraw/zinc/52/54/59/655525459.db2.gz ALOLMHHNSIGEGD-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC000969130504 655526798 /nfs/dbraw/zinc/52/67/98/655526798.db2.gz LMXFDLHGSKEKTI-CYBMUJFWSA-N 0 3 324.371 3.215 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC000969136129 655527641 /nfs/dbraw/zinc/52/76/41/655527641.db2.gz KEXCZRARVNZZJM-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000969156523 655529316 /nfs/dbraw/zinc/52/93/16/655529316.db2.gz VPMAOANTHIUBFB-CSODTCANSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000969156372 655529328 /nfs/dbraw/zinc/52/93/28/655529328.db2.gz RGGIQBAMCZSMBD-FOIPXRHGSA-N 0 3 304.478 3.360 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)C2=CCCC2)CCN1Cc1ccc(C#N)cc1 ZINC000947190463 655540040 /nfs/dbraw/zinc/54/00/40/655540040.db2.gz CGCYDWLAUYIWOB-KXBFYZLASA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001020541511 655546961 /nfs/dbraw/zinc/54/69/61/655546961.db2.gz AKVUOYDWNPRSBM-JOCQHMNTSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](N[C@@H](C)c3ccccc3F)C2)C1 ZINC001020563602 655553921 /nfs/dbraw/zinc/55/39/21/655553921.db2.gz OPJSCDMQAVFEFS-KKUMJFAQSA-N 0 3 316.420 3.480 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(OCCC)c2)C1 ZINC000969797195 655558013 /nfs/dbraw/zinc/55/80/13/655558013.db2.gz ONEGQTQQJKCBMK-HNNXBMFYSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000969829973 655558846 /nfs/dbraw/zinc/55/88/46/655558846.db2.gz ASSHSVOPVSWNOM-KDOFPFPSSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000969969615 655565762 /nfs/dbraw/zinc/56/57/62/655565762.db2.gz OKTIPDBZWWPWOG-HNAYVOBHSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001020694576 655570144 /nfs/dbraw/zinc/57/01/44/655570144.db2.gz JPSXKQGKVPJICK-HNWVBPERSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC001021075488 655588901 /nfs/dbraw/zinc/58/89/01/655588901.db2.gz KVHWZTSPRGYFDV-HAQNSBGRSA-N 0 3 322.767 3.175 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000970270547 655591197 /nfs/dbraw/zinc/59/11/97/655591197.db2.gz HVCPYQZBZAUJBZ-CQSZACIVSA-N 0 3 318.848 3.030 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000255077429 655592611 /nfs/dbraw/zinc/59/26/11/655592611.db2.gz XPOGGGGZROGUFQ-KHPPLWFESA-N 0 3 305.381 3.272 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)cc2Cl)C1 ZINC000970464340 655601137 /nfs/dbraw/zinc/60/11/37/655601137.db2.gz CXMHVQVBKPHBBA-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000970571958 655606878 /nfs/dbraw/zinc/60/68/78/655606878.db2.gz PXJHCGCLXGWSAO-OAHLLOKOSA-N 0 3 310.441 3.272 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C(C)C)oc2C)C1 ZINC000970669396 655611833 /nfs/dbraw/zinc/61/18/33/655611833.db2.gz UNHSFVVZFSDXQU-CYBMUJFWSA-N 0 3 304.434 3.338 20 30 DGEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccs2)C1 ZINC001039206585 655614462 /nfs/dbraw/zinc/61/44/62/655614462.db2.gz MSLZTNMTIVKPOD-HZPDHXFCSA-N 0 3 316.470 3.088 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccsc2C(F)F)C1 ZINC000970809553 655623672 /nfs/dbraw/zinc/62/36/72/655623672.db2.gz CAXDMYSLQZRWOY-SNVBAGLBSA-N 0 3 314.401 3.312 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC(C)(C)C2)C1 ZINC001039221161 655624268 /nfs/dbraw/zinc/62/42/68/655624268.db2.gz LJCVLHDOZIKHBK-WMZOPIPTSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(F)cc2Cl)C1 ZINC000970834446 655627880 /nfs/dbraw/zinc/62/78/80/655627880.db2.gz AGDYGRJWQSRVBZ-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(F)c3occc32)C1 ZINC000970903031 655634539 /nfs/dbraw/zinc/63/45/39/655634539.db2.gz ZMJVHJCAHSEAJF-LBPRGKRZSA-N 0 3 316.376 3.198 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)C[C@@H]1C ZINC000947417250 655637381 /nfs/dbraw/zinc/63/73/81/655637381.db2.gz NZMNYTVGTJKQNI-STQMWFEESA-N 0 3 308.372 3.042 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(CC)oc3ccccc32)C1 ZINC000970931319 655638591 /nfs/dbraw/zinc/63/85/91/655638591.db2.gz MBNSLUYCERSIBJ-AWEZNQCLSA-N 0 3 324.424 3.069 20 30 DGEDHN COc1ccc(O)c(/C=N\C[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000255206092 655646124 /nfs/dbraw/zinc/64/61/24/655646124.db2.gz KRWFMAFGGVYTMZ-BDBXIWDTSA-N 0 3 312.413 3.431 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2CC)C1 ZINC001021660862 655651179 /nfs/dbraw/zinc/65/11/79/655651179.db2.gz HKAXQWVKFCXDFM-QUCCMNQESA-N 0 3 324.468 3.199 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C)c2C)C1 ZINC001021726025 655664409 /nfs/dbraw/zinc/66/44/09/655664409.db2.gz YBDYUQFZNGQKLS-ICSRJNTNSA-N 0 3 324.468 3.253 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC2CCCCC2)C1 ZINC001021726224 655664424 /nfs/dbraw/zinc/66/44/24/655664424.db2.gz ZVBHYBRAKQKZPH-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)C[C@@H]1C ZINC000947438718 655673684 /nfs/dbraw/zinc/67/36/84/655673684.db2.gz ZEGMMYBLCVVHSW-STQMWFEESA-N 0 3 308.372 3.042 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2SC)CCC1 ZINC000933304767 655699026 /nfs/dbraw/zinc/69/90/26/655699026.db2.gz RGYKMCFYGUONFM-CYBMUJFWSA-N 0 3 302.443 3.271 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC000971542988 655704267 /nfs/dbraw/zinc/70/42/67/655704267.db2.gz QABUXYJLUIONPA-KURKYZTESA-N 0 3 312.457 3.145 20 30 DGEDHN C[C@@]1(NCc2ccc(OCC#N)cc2)CCOc2ccccc21 ZINC000933365922 655705532 /nfs/dbraw/zinc/70/55/32/655705532.db2.gz BHOCNHJZEVUHLJ-LJQANCHMSA-N 0 3 308.381 3.376 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc3c(c2)OCCO3)cc1 ZINC000178209415 655721400 /nfs/dbraw/zinc/72/14/00/655721400.db2.gz DMUIVKCQWHRAEX-HNNXBMFYSA-N 0 3 323.392 3.321 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC000971784529 655726196 /nfs/dbraw/zinc/72/61/96/655726196.db2.gz KLVSBYPPAYJWTR-OAHLLOKOSA-N 0 3 313.445 3.102 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000971785676 655726212 /nfs/dbraw/zinc/72/62/12/655726212.db2.gz YEWCSXULDXKPJL-GUDVDZBRSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001022487716 655744366 /nfs/dbraw/zinc/74/43/66/655744366.db2.gz VYEWCGBOLNZJNK-QKPAOTATSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001022505447 655745695 /nfs/dbraw/zinc/74/56/95/655745695.db2.gz DGVFHBKJSRRCOP-OKILXGFUSA-N 0 3 321.852 3.116 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972073831 655762131 /nfs/dbraw/zinc/76/21/31/655762131.db2.gz WHLUBVLFJYPTCN-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN N#CCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000051533648 655770714 /nfs/dbraw/zinc/77/07/14/655770714.db2.gz DUKZTOXTLWIGOM-GFCCVEGCSA-N 0 3 313.407 3.243 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001022729151 655775325 /nfs/dbraw/zinc/77/53/25/655775325.db2.gz CMNLNUSXTMRHGA-OKILXGFUSA-N 0 3 321.852 3.116 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001022761332 655781572 /nfs/dbraw/zinc/78/15/72/655781572.db2.gz ZJXZTNLSMIMCTF-PHIMTYICSA-N 0 3 317.191 3.082 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC000972292794 655786186 /nfs/dbraw/zinc/78/61/86/655786186.db2.gz WTUIPIRBKGNURK-RHSMWYFYSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000972396101 655795309 /nfs/dbraw/zinc/79/53/09/655795309.db2.gz HOPFFOFEMXMTIV-CQSZACIVSA-N 0 3 312.388 3.311 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(-c3ccco3)o2)C[C@@H]1C ZINC000947535850 655810327 /nfs/dbraw/zinc/81/03/27/655810327.db2.gz BCHHRCSKAVONPF-KBPBESRZSA-N 0 3 314.385 3.308 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C[C@H]1C ZINC000947546100 655821721 /nfs/dbraw/zinc/82/17/21/655821721.db2.gz BFZBTLDGYVSPQK-CJNGLKHVSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC000972556474 655830020 /nfs/dbraw/zinc/83/00/20/655830020.db2.gz XDURCTGKZVNVCD-HUUCEWRRSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2F)C1 ZINC000972556472 655830054 /nfs/dbraw/zinc/83/00/54/655830054.db2.gz XDURCTGKZVNVCD-GJZGRUSLSA-N 0 3 304.409 3.038 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001023438530 655833548 /nfs/dbraw/zinc/83/35/48/655833548.db2.gz YYKAPVNEKFHBKR-MRXNPFEDSA-N 0 3 312.457 3.059 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001023483414 655837003 /nfs/dbraw/zinc/83/70/03/655837003.db2.gz RWNMAQGLQZWFPR-QGZVFWFLSA-N 0 3 304.478 3.198 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001023493500 655837361 /nfs/dbraw/zinc/83/73/61/655837361.db2.gz WUOZTNYNVFJLGB-KRWDZBQOSA-N 0 3 324.468 3.419 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001023510501 655838914 /nfs/dbraw/zinc/83/89/14/655838914.db2.gz LYVIKNVAPVWTOT-INIZCTEOSA-N 0 3 324.424 3.125 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C[C@@H]1C ZINC000947567217 655841913 /nfs/dbraw/zinc/84/19/13/655841913.db2.gz BORUEKJQWMNRTL-FUHWJXTLSA-N 0 3 324.468 3.478 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001023563299 655843422 /nfs/dbraw/zinc/84/34/22/655843422.db2.gz ZWFOSJNNCBNHPD-GOSISDBHSA-N 0 3 312.457 3.104 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001023588310 655845608 /nfs/dbraw/zinc/84/56/08/655845608.db2.gz WASWCEUKZBLBIT-KRWDZBQOSA-N 0 3 324.468 3.203 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001023703514 655855849 /nfs/dbraw/zinc/85/58/49/655855849.db2.gz MBHHHABGNSZEHY-CQSZACIVSA-N 0 3 304.434 3.032 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001023701800 655855911 /nfs/dbraw/zinc/85/59/11/655855911.db2.gz WIVVFJHLEJEZBH-AWEZNQCLSA-N 0 3 316.470 3.091 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001023697977 655855975 /nfs/dbraw/zinc/85/59/75/655855975.db2.gz LHYBXGACBNQECY-INIZCTEOSA-N 0 3 310.441 3.029 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001023714568 655856602 /nfs/dbraw/zinc/85/66/02/655856602.db2.gz PJKOOWPYUQCGDZ-KZNAEPCWSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)csc2Cl)C1 ZINC001023722158 655857450 /nfs/dbraw/zinc/85/74/50/655857450.db2.gz SZGOPHIABAPWSH-ZDUSSCGKSA-N 0 3 324.877 3.175 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001023766982 655863388 /nfs/dbraw/zinc/86/33/88/655863388.db2.gz AWVUHCJZWAOIHZ-MRXNPFEDSA-N 0 3 324.424 3.206 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001023767913 655863521 /nfs/dbraw/zinc/86/35/21/655863521.db2.gz LASQUCPGEAQFIJ-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC000972739759 655876036 /nfs/dbraw/zinc/87/60/36/655876036.db2.gz HWCSISALGWZTIW-MRXNPFEDSA-N 0 3 312.413 3.382 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000972791498 655882683 /nfs/dbraw/zinc/88/26/83/655882683.db2.gz NYCAMUQFZJPWJJ-ZCYBBYNQSA-N 0 3 316.489 3.312 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001024453308 655906474 /nfs/dbraw/zinc/90/64/74/655906474.db2.gz HOPBVBKFUAIBNA-ROUUACIJSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001024450774 655906823 /nfs/dbraw/zinc/90/68/23/655906823.db2.gz QTRJBMLGCYIEQQ-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001024457642 655907247 /nfs/dbraw/zinc/90/72/47/655907247.db2.gz NUBVEPNZTKEEBE-GOSISDBHSA-N 0 3 324.468 3.173 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001024636939 655926810 /nfs/dbraw/zinc/92/68/10/655926810.db2.gz DSYAYLDOGXIANY-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001024650552 655927554 /nfs/dbraw/zinc/92/75/54/655927554.db2.gz DRBAGULJQKBWHC-KRWDZBQOSA-N 0 3 315.461 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001024650553 655927629 /nfs/dbraw/zinc/92/76/29/655927629.db2.gz DRBAGULJQKBWHC-QGZVFWFLSA-N 0 3 315.461 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001024669879 655929204 /nfs/dbraw/zinc/92/92/04/655929204.db2.gz KCUDICOBDVDMJS-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024690005 655931249 /nfs/dbraw/zinc/93/12/49/655931249.db2.gz POFWATJQDXQSTE-SFHVURJKSA-N 0 3 311.429 3.100 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001024704321 655931972 /nfs/dbraw/zinc/93/19/72/655931972.db2.gz KCLFRCQBHVOCRD-YSIASYRMSA-N 0 3 324.468 3.093 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001024743413 655934429 /nfs/dbraw/zinc/93/44/29/655934429.db2.gz JVIXXXWLGPLANZ-ZDUSSCGKSA-N 0 3 317.458 3.390 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001024741978 655934559 /nfs/dbraw/zinc/93/45/59/655934559.db2.gz DWUYEZALPZSOBR-LJQANCHMSA-N 0 3 312.457 3.418 20 30 DGEDHN CC(C)c1nnc(CCC(=O)C(C#N)c2nc3ccccc3o2)o1 ZINC000177606775 655934884 /nfs/dbraw/zinc/93/48/84/655934884.db2.gz HYIQEQUVBNVMHZ-NSHDSACASA-N 0 3 324.340 3.143 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001024773766 655937409 /nfs/dbraw/zinc/93/74/09/655937409.db2.gz KWVURAFLSXYMPU-LJQANCHMSA-N 0 3 312.457 3.418 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001024791103 655939894 /nfs/dbraw/zinc/93/98/94/655939894.db2.gz UWIVZDQLNJFTEW-MRXNPFEDSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001024811717 655941609 /nfs/dbraw/zinc/94/16/09/655941609.db2.gz WWNOEHBCENMXHG-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024821315 655942113 /nfs/dbraw/zinc/94/21/13/655942113.db2.gz LBYUJBQKSUMVPM-OFLPRAFFSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001025039778 655958270 /nfs/dbraw/zinc/95/82/70/655958270.db2.gz XVWJTZAXPOQLDX-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001025039841 655958338 /nfs/dbraw/zinc/95/83/38/655958338.db2.gz ZKRGYTHAXCZSJS-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cscc2C(F)F)C1 ZINC001007344014 655968634 /nfs/dbraw/zinc/96/86/34/655968634.db2.gz FIPMYVGQNBJIGR-NSHDSACASA-N 0 3 314.401 3.456 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001025190329 655973828 /nfs/dbraw/zinc/97/38/28/655973828.db2.gz AUAXJQXSCPQJGZ-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199791 655976347 /nfs/dbraw/zinc/97/63/47/655976347.db2.gz ZRLFCLMRICANKN-MSOLQXFVSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001025199793 655976591 /nfs/dbraw/zinc/97/65/91/655976591.db2.gz ZRLFCLMRICANKN-ROUUACIJSA-N 0 3 314.429 3.070 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1C ZINC001025196497 655976796 /nfs/dbraw/zinc/97/67/96/655976796.db2.gz VMZRUEBNQSVUSN-VQTJNVASSA-N 0 3 324.468 3.477 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001025207957 655978639 /nfs/dbraw/zinc/97/86/39/655978639.db2.gz BWCOOCSVVGLGIA-RBUKOAKNSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001025213830 655979537 /nfs/dbraw/zinc/97/95/37/655979537.db2.gz PJJXETAQQIZQJO-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1CCC1 ZINC001025217931 655980152 /nfs/dbraw/zinc/98/01/52/655980152.db2.gz HAXISNODKMOQAY-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)sn1 ZINC001025224451 655981303 /nfs/dbraw/zinc/98/13/03/655981303.db2.gz QCPAPOPTCMHWCS-HZPDHXFCSA-N 0 3 319.474 3.097 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001025230452 655982755 /nfs/dbraw/zinc/98/27/55/655982755.db2.gz AAJLPPVAISRINY-WOJBJXKFSA-N 0 3 324.468 3.154 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C(=C)C ZINC001025258970 655984993 /nfs/dbraw/zinc/98/49/93/655984993.db2.gz MBAGHRUCCBZDFU-IRXDYDNUSA-N 0 3 302.462 3.067 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CC)CCC1 ZINC001025261528 655986819 /nfs/dbraw/zinc/98/68/19/655986819.db2.gz WNUCRCCOHYKOND-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C(C)C)CC1 ZINC001025268821 655987314 /nfs/dbraw/zinc/98/73/14/655987314.db2.gz GMUALXYYBUSGFA-ZWKOTPCHSA-N 0 3 316.489 3.291 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC001025292616 655989248 /nfs/dbraw/zinc/98/92/48/655989248.db2.gz KGKANMUMVBKKIA-VQTJNVASSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1ccccc1 ZINC001025291871 655989346 /nfs/dbraw/zinc/98/93/46/655989346.db2.gz BWZSNAOIRLXWFQ-VQTJNVASSA-N 0 3 324.468 3.098 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CC)CCCC1 ZINC001025285149 655989535 /nfs/dbraw/zinc/98/95/35/655989535.db2.gz SMNCWJSANUVVEQ-ROUUACIJSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)c(C)c1 ZINC001025297440 655990013 /nfs/dbraw/zinc/99/00/13/655990013.db2.gz QCNZXFDFWFHBCW-UXHICEINSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(CC)CC ZINC001025300620 655990588 /nfs/dbraw/zinc/99/05/88/655990588.db2.gz DLUZDVWWHRKQAO-DLBZAZTESA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025361840 655999668 /nfs/dbraw/zinc/99/96/68/655999668.db2.gz RJYPCKJWTQBCPI-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc3c2cccc3C)C1 ZINC001025438136 656012231 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C=CCN1CC=C(CNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC001001429297 657219272 /nfs/dbraw/zinc/21/92/72/657219272.db2.gz KOYVVHSJZYHTSC-UHFFFAOYSA-N 0 3 316.470 3.175 20 30 DGEDHN C=C(C)CCN1CC[C@@](C)(NC(=O)c2cnc(C3CC3)s2)C1 ZINC001046787172 657220112 /nfs/dbraw/zinc/22/01/12/657220112.db2.gz USMMTKWKIQPLGX-QGZVFWFLSA-N 0 3 319.474 3.181 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001028928734 657223383 /nfs/dbraw/zinc/22/33/83/657223383.db2.gz OUVCORNFXFBVKP-HNNXBMFYSA-N 0 3 318.848 3.032 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001028929901 657224288 /nfs/dbraw/zinc/22/42/88/657224288.db2.gz MMYPQNNVISSFLW-KRWDZBQOSA-N 0 3 324.468 3.419 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc3cnccc32)C1 ZINC001046837671 657232606 /nfs/dbraw/zinc/23/26/06/657232606.db2.gz CZUQLBZYDVFWOO-IBGZPJMESA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001001617262 657234275 /nfs/dbraw/zinc/23/42/75/657234275.db2.gz QLMUDPOKUGALOS-PMACEKPBSA-N 0 3 324.468 3.032 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H]2CN(CCC)CCC2(F)F)CC1 ZINC001046971388 657248927 /nfs/dbraw/zinc/24/89/27/657248927.db2.gz OYUNCNUKNDJJEW-OAHLLOKOSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C3[C@H]4CCCCCC[C@H]34)[C@@H]2C1 ZINC001050150227 657259483 /nfs/dbraw/zinc/25/94/83/657259483.db2.gz QEVULWLQSMLROO-XLAORIBOSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001050149312 657259759 /nfs/dbraw/zinc/25/97/59/657259759.db2.gz GTYNUFQXGFWGNB-MAUKXSAKSA-N 0 3 316.420 3.247 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)[C@@H]2C1 ZINC001050162988 657263047 /nfs/dbraw/zinc/26/30/47/657263047.db2.gz BTYBFEYXDQAFTB-VNTMZGSJSA-N 0 3 324.468 3.207 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)c(F)c(C)c3)[C@@H]2C1 ZINC001050203756 657269556 /nfs/dbraw/zinc/26/95/56/657269556.db2.gz KZRPXPGPOBSAEX-DOTOQJQBSA-N 0 3 316.420 3.165 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC001047221979 657280768 /nfs/dbraw/zinc/28/07/68/657280768.db2.gz ULCONZBIWINUHR-IBGZPJMESA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)CC1 ZINC001047224289 657281502 /nfs/dbraw/zinc/28/15/02/657281502.db2.gz YKIUPGZYVDVPTC-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)C3CC(C)C3)C2)CC1 ZINC001047233289 657283895 /nfs/dbraw/zinc/28/38/95/657283895.db2.gz WFCUIFBHNWKELC-AVAKVYKDSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001047236513 657284707 /nfs/dbraw/zinc/28/47/07/657284707.db2.gz KJSVMNUGRCHMJB-MSOLQXFVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001047923455 657333437 /nfs/dbraw/zinc/33/34/37/657333437.db2.gz FUCBKWWICTVKBM-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C1CCC(C(=O)N2CC3(C2)CCN(C/C=C\Cl)CC3)CC1 ZINC001050646537 657336923 /nfs/dbraw/zinc/33/69/23/657336923.db2.gz MJARERICWUXNCZ-MBXJOHMKSA-N 0 3 322.880 3.410 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001050651228 657338236 /nfs/dbraw/zinc/33/82/36/657338236.db2.gz QZWKIBMHNOROIY-CXOKCQFOSA-N 0 3 310.869 3.266 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)CC1 ZINC001050708930 657346228 /nfs/dbraw/zinc/34/62/28/657346228.db2.gz FEPNQJFSDIMNTP-IYARVYRRSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C3(C)CCC(C)CC3)C2)CC1 ZINC001050768740 657359768 /nfs/dbraw/zinc/35/97/68/657359768.db2.gz CFQAFCDDXSJPLL-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)c3cc[nH]c3C)cccc2C1 ZINC001051283587 657381470 /nfs/dbraw/zinc/38/14/70/657381470.db2.gz FVRUVPHHTJFYNO-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)[C@@H]3CC[C@@H](C)C3)cccc2C1 ZINC001051301561 657385357 /nfs/dbraw/zinc/38/53/57/657385357.db2.gz KYTCHUYJAGMDER-IAGOWNOFSA-N 0 3 324.468 3.120 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968365296 657396165 /nfs/dbraw/zinc/39/61/65/657396165.db2.gz MGMWSQJIJKSELI-YOEHRIQHSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968366135 657396291 /nfs/dbraw/zinc/39/62/91/657396291.db2.gz SFVLRQMCRGFZDV-RDTXWAMCSA-N 0 3 311.429 3.184 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968369877 657397367 /nfs/dbraw/zinc/39/73/67/657397367.db2.gz RRCCNGNPRYZRCW-QFBILLFUSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387051 657402622 /nfs/dbraw/zinc/40/26/22/657402622.db2.gz UAQHNCXOVWLJTG-AAEUAGOBSA-N 0 3 312.866 3.418 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000968405315 657407482 /nfs/dbraw/zinc/40/74/82/657407482.db2.gz KDCVIMJVEOBFRL-NZEHOUKNSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968503725 657418335 /nfs/dbraw/zinc/41/83/35/657418335.db2.gz AUXNMXQWLZUGMJ-HNAYVOBHSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC000968561755 657427486 /nfs/dbraw/zinc/42/74/86/657427486.db2.gz NSMKUIRUCBHKQW-QAPCUYQASA-N 0 3 318.436 3.079 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC000968599034 657437425 /nfs/dbraw/zinc/43/74/25/657437425.db2.gz PUKGTIBJVYBJFY-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968602940 657438506 /nfs/dbraw/zinc/43/85/06/657438506.db2.gz TXNGVQFUAJNBGI-QAPCUYQASA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607144 657441123 /nfs/dbraw/zinc/44/11/23/657441123.db2.gz OZUBZZVRKUFBAR-CRAIPNDOSA-N 0 3 300.446 3.320 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968614482 657442623 /nfs/dbraw/zinc/44/26/23/657442623.db2.gz KSENYWZSAGLEJU-FUHWJXTLSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968614503 657442941 /nfs/dbraw/zinc/44/29/41/657442941.db2.gz LBNIVNWMKLCGGT-WMLDXEAASA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)C[C@H]1C ZINC000947807352 657444530 /nfs/dbraw/zinc/44/45/30/657444530.db2.gz VVNRHFXLQLMOFZ-DOMZBBRYSA-N 0 3 308.372 3.393 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000968619990 657444996 /nfs/dbraw/zinc/44/49/96/657444996.db2.gz QLBRCZJFPPOAMS-ZBFHGGJFSA-N 0 3 312.413 3.449 20 30 DGEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968691933 657461089 /nfs/dbraw/zinc/46/10/89/657461089.db2.gz KGMWMHKTHMCJAF-KGLIPLIRSA-N 0 3 321.490 3.112 20 30 DGEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695333 657462607 /nfs/dbraw/zinc/46/26/07/657462607.db2.gz MWMLLTVEHBJEEM-STQMWFEESA-N 0 3 310.438 3.294 20 30 DGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC000968710427 657466058 /nfs/dbraw/zinc/46/60/58/657466058.db2.gz QKEZGWHFBQZRJF-KBPBESRZSA-N 0 3 321.490 3.283 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC000968831339 657498552 /nfs/dbraw/zinc/49/85/52/657498552.db2.gz MFCXIHOAACYLGI-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1csnc1C ZINC000968822422 657498718 /nfs/dbraw/zinc/49/87/18/657498718.db2.gz WXFNKEQLYYXGDK-CQSZACIVSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC000968846095 657501659 /nfs/dbraw/zinc/50/16/59/657501659.db2.gz CRICNETVLKBLPV-INIZCTEOSA-N 0 3 304.434 3.447 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC000968898998 657512629 /nfs/dbraw/zinc/51/26/29/657512629.db2.gz NCWXULZTQUPNRB-AWEZNQCLSA-N 0 3 321.852 3.204 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000968962434 657523469 /nfs/dbraw/zinc/52/34/69/657523469.db2.gz FCACIQALRUTRJZ-ZJPYXAASSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC000968967811 657523589 /nfs/dbraw/zinc/52/35/89/657523589.db2.gz BEPSLNQPRCACKV-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC000968998027 657529727 /nfs/dbraw/zinc/52/97/27/657529727.db2.gz JEGRJSUDEGHVNH-OAHLLOKOSA-N 0 3 303.450 3.128 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC000969004757 657531153 /nfs/dbraw/zinc/53/11/53/657531153.db2.gz BNIBMGPNRMKMDL-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC000969008678 657532808 /nfs/dbraw/zinc/53/28/08/657532808.db2.gz UZWUWEVJXBYSLM-QGZVFWFLSA-N 0 3 316.420 3.132 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC000969043892 657541634 /nfs/dbraw/zinc/54/16/34/657541634.db2.gz AYRYVVACCGGITD-SFHVURJKSA-N 0 3 312.457 3.301 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC000969096714 657554859 /nfs/dbraw/zinc/55/48/59/657554859.db2.gz CVONTNCDDLPQEF-HNNXBMFYSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC000969097314 657555773 /nfs/dbraw/zinc/55/57/73/657555773.db2.gz JLPLYFQOFOGUIU-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001007323811 657594976 /nfs/dbraw/zinc/59/49/76/657594976.db2.gz CTWQBQWYESNXCZ-CQSZACIVSA-N 0 3 319.474 3.099 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001007326792 657595991 /nfs/dbraw/zinc/59/59/91/657595991.db2.gz JZYYJOBVXPIWTJ-AWEZNQCLSA-N 0 3 319.449 3.133 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001007342578 657596756 /nfs/dbraw/zinc/59/67/56/657596756.db2.gz IQHLKHFQMRDUNS-OTWHNJEPSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001007482051 657612341 /nfs/dbraw/zinc/61/23/41/657612341.db2.gz CPYBYBXSLVOFQG-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001007626596 657622821 /nfs/dbraw/zinc/62/28/21/657622821.db2.gz ZJVUIDBFKKYETL-VAMGGRTRSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001007669409 657627068 /nfs/dbraw/zinc/62/70/68/657627068.db2.gz MBNDSPZNUZFJNH-MRXNPFEDSA-N 0 3 323.440 3.002 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007842873 657639775 /nfs/dbraw/zinc/63/97/75/657639775.db2.gz BQEAFWZFMJPHNS-HNNXBMFYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001007876408 657643119 /nfs/dbraw/zinc/64/31/19/657643119.db2.gz AYJDWFSMTUEORJ-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001007916593 657646816 /nfs/dbraw/zinc/64/68/16/657646816.db2.gz ZBODCOVJPVCUET-MRXNPFEDSA-N 0 3 320.864 3.348 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001008061829 657658281 /nfs/dbraw/zinc/65/82/81/657658281.db2.gz JMYHTJZXRRDETC-MRXNPFEDSA-N 0 3 324.424 3.267 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2csc(C(C)C)n2)C[C@@H]1C ZINC000947813650 657665697 /nfs/dbraw/zinc/66/56/97/657665697.db2.gz ADZJNNQJUXFOCM-STQMWFEESA-N 0 3 307.463 3.035 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001008858497 657736593 /nfs/dbraw/zinc/73/65/93/657736593.db2.gz YPTZLVYVVXYWIG-AWEZNQCLSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001009220729 657757351 /nfs/dbraw/zinc/75/73/51/657757351.db2.gz QYEAQUSUXKMDOC-HNNXBMFYSA-N 0 3 304.434 3.175 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C)o1 ZINC000960245683 657766286 /nfs/dbraw/zinc/76/62/86/657766286.db2.gz KEYHUPWJQAHCDD-SJLPKXTDSA-N 0 3 310.397 3.150 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC000960270187 657770255 /nfs/dbraw/zinc/77/02/55/657770255.db2.gz FCTAXWLINQLRDB-GGPKGHCWSA-N 0 3 310.441 3.291 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC000960293263 657772737 /nfs/dbraw/zinc/77/27/37/657772737.db2.gz BFNUAGMSSZRHIM-KZNAEPCWSA-N 0 3 312.457 3.371 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000960297785 657774441 /nfs/dbraw/zinc/77/44/41/657774441.db2.gz WRHMSWBIAMPYFR-AOHSKODXSA-N 0 3 324.468 3.371 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCC(=C)CC1 ZINC000960300166 657774622 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C=CCCN1CC[C@H](NC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001014453578 658017601 /nfs/dbraw/zinc/01/76/01/658017601.db2.gz GQSBNUHGPDXBTL-LBPRGKRZSA-N 0 3 312.335 3.144 20 30 DGEDHN C=CCCN1CC[C@@H](NC(=O)c2oc3c(cccc3F)c2C)C1 ZINC001014720039 658043584 /nfs/dbraw/zinc/04/35/84/658043584.db2.gz BXHDPORPMYENPF-CYBMUJFWSA-N 0 3 316.376 3.261 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001014813183 658050636 /nfs/dbraw/zinc/05/06/36/658050636.db2.gz VYQYRTXYLGKLSG-GFCCVEGCSA-N 0 3 312.360 3.296 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C[C@H]1C ZINC000947825694 658088440 /nfs/dbraw/zinc/08/84/40/658088440.db2.gz VPGDUJHWHCAFST-RHSMWYFYSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001015372783 658115242 /nfs/dbraw/zinc/11/52/42/658115242.db2.gz LQKKCHCRPOBAJD-CYBMUJFWSA-N 0 3 316.376 3.261 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1-c1ccccc1 ZINC000962454536 658116003 /nfs/dbraw/zinc/11/60/03/658116003.db2.gz 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ZINC000942525321 660155283 /nfs/dbraw/zinc/15/52/83/660155283.db2.gz NIVQIYMJAMUCIC-WBVHZDCISA-N 0 3 323.440 3.169 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2nc3ccccc3cc2C)[C@@H](C)C1 ZINC000942525320 660155381 /nfs/dbraw/zinc/15/53/81/660155381.db2.gz NIVQIYMJAMUCIC-RDJZCZTQSA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)cc2Cl)[C@@H](C)C1 ZINC000942560086 660158582 /nfs/dbraw/zinc/15/85/82/660158582.db2.gz KWBNZGJHTFHARD-WMLDXEAASA-N 0 3 318.848 3.030 20 30 DGEDHN N#CC1CCC(CN2CCN(c3cccc(F)c3F)CC2)CC1 ZINC000929652243 661324965 /nfs/dbraw/zinc/32/49/65/661324965.db2.gz KTCIEYFOCWGFKQ-UHFFFAOYSA-N 0 3 319.399 3.417 20 30 DGEDHN C[C@H](c1ccccc1)N(CCCCC1(C#N)CCC1)CC(N)=O ZINC000930029576 661360118 /nfs/dbraw/zinc/36/01/18/661360118.db2.gz RRZMDRXBSPMSCO-MRXNPFEDSA-N 0 3 313.445 3.399 20 30 DGEDHN N#CC1CCC(CN2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000930084773 661365026 /nfs/dbraw/zinc/36/50/26/661365026.db2.gz CMMSGBAPCAMALY-LBXVMSDZSA-N 0 3 310.441 3.490 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN(C)[C@H](C)c2ccncc2)cc1 ZINC000930119777 661368469 /nfs/dbraw/zinc/36/84/69/661368469.db2.gz ROALUDNYPHIMMR-OAHLLOKOSA-N 0 3 307.397 3.085 20 30 DGEDHN C[C@@H](NC[C@](C)(O)C(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000930213743 661378773 /nfs/dbraw/zinc/37/87/73/661378773.db2.gz OTCUSYBHXGDBAX-SKDRFNHKSA-N 0 3 322.277 3.157 20 30 DGEDHN Cc1cccc(COc2ccc([C@H](C)NC[C@H](O)CC#N)cc2)c1 ZINC000930216125 661379190 /nfs/dbraw/zinc/37/91/90/661379190.db2.gz YXVOXUYIVHYHAW-QFBILLFUSA-N 0 3 324.424 3.499 20 30 DGEDHN Cc1cccc(COc2ccc([C@@H](C)NC[C@H](O)CC#N)cc2)c1 ZINC000930216126 661379224 /nfs/dbraw/zinc/37/92/24/661379224.db2.gz YXVOXUYIVHYHAW-VQIMIIECSA-N 0 3 324.424 3.499 20 30 DGEDHN N#Cc1cncc(CN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000930518766 661407052 /nfs/dbraw/zinc/40/70/52/661407052.db2.gz FHBCPDDGWVOOSC-LJQANCHMSA-N 0 3 319.408 3.137 20 30 DGEDHN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CC1CCC(C#N)CC1 ZINC000930555166 661410315 /nfs/dbraw/zinc/41/03/15/661410315.db2.gz 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/nfs/dbraw/zinc/56/42/05/661564205.db2.gz NJTOQLUMCINYIJ-IBGZPJMESA-N 0 3 320.396 3.023 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(SC)cc2)CCC1 ZINC000933303620 661628268 /nfs/dbraw/zinc/62/82/68/661628268.db2.gz PQDRZAAJAWVLGL-CYBMUJFWSA-N 0 3 302.443 3.271 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 ZINC000933300466 661628500 /nfs/dbraw/zinc/62/85/00/661628500.db2.gz FPTPQRGFZNVLIW-LBPRGKRZSA-N 0 3 315.804 3.074 20 30 DGEDHN C[C@@](O)(CN1CCC(c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000933611360 661644733 /nfs/dbraw/zinc/64/47/33/661644733.db2.gz LPGCDDLAAUQEEQ-OAHLLOKOSA-N 0 3 312.335 3.051 20 30 DGEDHN C[C@](O)(CN1CCC(c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000933611359 661644919 /nfs/dbraw/zinc/64/49/19/661644919.db2.gz LPGCDDLAAUQEEQ-HNNXBMFYSA-N 0 3 312.335 3.051 20 30 DGEDHN O=C1C=COC2(CCN(CCSCc3ccccc3)CC2)C1 ZINC000933648299 661647712 /nfs/dbraw/zinc/64/77/12/661647712.db2.gz WYALTCFWXIKQDH-UHFFFAOYSA-N 0 3 317.454 3.258 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2CC1(CC#N)CC1 ZINC000934661350 661723080 /nfs/dbraw/zinc/72/30/80/661723080.db2.gz PVZVZCKAPPNBGY-RDTXWAMCSA-N 0 3 319.449 3.059 20 30 DGEDHN N#Cc1c(F)cccc1CN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934830487 661738023 /nfs/dbraw/zinc/73/80/23/661738023.db2.gz CUYOVLJNKJTOBU-HOCLYGCPSA-N 0 3 302.393 3.336 20 30 DGEDHN C=C(C)c1cccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000934880278 661744102 /nfs/dbraw/zinc/74/41/02/661744102.db2.gz NUPYLSXPYXNPGN-HOTGVXAUSA-N 0 3 319.474 3.229 20 30 DGEDHN Cc1ccc(C#N)cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000935436401 661785731 /nfs/dbraw/zinc/78/57/31/661785731.db2.gz DVFSLINZZRGMHM-KXBFYZLASA-N 0 3 321.424 3.288 20 30 DGEDHN Cc1csc(C(C#N)C(=O)CSc2ccc(C)cn2)n1 ZINC000042174261 661838600 /nfs/dbraw/zinc/83/86/00/661838600.db2.gz SZEIUIIUITVKPJ-NSHDSACASA-N 0 3 303.412 3.124 20 30 DGEDHN CC(C)Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000156099985 661858290 /nfs/dbraw/zinc/85/82/90/661858290.db2.gz NCWDCPDIHLUXHO-WMLDXEAASA-N 0 3 314.429 3.222 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3c2CCCCC3)C[C@H]1C ZINC000947422251 661908166 /nfs/dbraw/zinc/90/81/66/661908166.db2.gz YXAMKVJQPPSWLK-SJLPKXTDSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C[C@@H]1C ZINC000947434427 661908381 /nfs/dbraw/zinc/90/83/81/661908381.db2.gz WEYBFNVXCUPQSX-DOTOQJQBSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2CC)C[C@@H]1C ZINC000947498063 661911807 /nfs/dbraw/zinc/91/18/07/661911807.db2.gz OEFRRJZMOVUTKT-BBRMVZONSA-N 0 3 304.409 3.157 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)cccc2Cl)C[C@@H]1C ZINC000947693484 661925348 /nfs/dbraw/zinc/92/53/48/661925348.db2.gz NKORAVQZHMQUHM-UONOGXRCSA-N 0 3 306.837 3.417 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CC2CCCCCC2)C[C@H]1C ZINC000947749936 661929256 /nfs/dbraw/zinc/92/92/56/661929256.db2.gz KVJXOSYQDXPDSM-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)C[C@H]1C ZINC000947751001 661929265 /nfs/dbraw/zinc/92/92/65/661929265.db2.gz SZMJTBGMVULOJO-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)C[C@@H]1C ZINC000947827845 661933434 /nfs/dbraw/zinc/93/34/34/661933434.db2.gz ALBIJSXCOODDMA-GOEBONIOSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)(C)C)c2)C[C@H]1C ZINC000947841084 661933817 /nfs/dbraw/zinc/93/38/17/661933817.db2.gz IPKGHZHKIITQPN-CRAIPNDOSA-N 0 3 312.457 3.200 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)C[C@@H]1C ZINC000947842491 661934060 /nfs/dbraw/zinc/93/40/60/661934060.db2.gz UVXFECUCMBMLGF-WFASDCNBSA-N 0 3 322.836 3.117 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C[C@H]1C ZINC000947928589 661938784 /nfs/dbraw/zinc/93/87/84/661938784.db2.gz CZIYJHIVRHNNQW-UKRRQHHQSA-N 0 3 316.470 3.232 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@@H]1C ZINC000947953228 661939651 /nfs/dbraw/zinc/93/96/51/661939651.db2.gz LIXDHWVEUWZEBT-XLAORIBOSA-N 0 3 304.478 3.195 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947998007 661943521 /nfs/dbraw/zinc/94/35/21/661943521.db2.gz HLJOMZBWGXTLPD-NWDGAFQWSA-N 0 3 310.850 3.008 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C[C@H]1C ZINC000948035650 661946034 /nfs/dbraw/zinc/94/60/34/661946034.db2.gz HPXZHBRAIJTCKC-WBVHZDCISA-N 0 3 323.440 3.450 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C[C@@H]1C ZINC000948078171 661948647 /nfs/dbraw/zinc/94/86/47/661948647.db2.gz IRMUAVKGIBWPLA-RDJZCZTQSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cnc(CC(C)C)s2)C[C@@H]1C ZINC000948082678 661949948 /nfs/dbraw/zinc/94/99/48/661949948.db2.gz GYISSZPDTJUDSO-KBPBESRZSA-N 0 3 321.490 3.110 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc3c2CCCC3)CC1 ZINC000948404135 661973545 /nfs/dbraw/zinc/97/35/45/661973545.db2.gz FGAATJNNYIFCLS-SFHVURJKSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2oc(C(F)F)cc2C)CC1 ZINC000948452646 661976254 /nfs/dbraw/zinc/97/62/54/661976254.db2.gz ONWGFKUVBGGPHY-CYBMUJFWSA-N 0 3 324.371 3.085 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccc(CC)s2)CC1 ZINC000948593256 661984960 /nfs/dbraw/zinc/98/49/60/661984960.db2.gz AVVKZYIKTOWYCN-OAHLLOKOSA-N 0 3 318.486 3.260 20 30 DGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2occc2C(C)C)CC1 ZINC000948706126 661992132 /nfs/dbraw/zinc/99/21/32/661992132.db2.gz UPVHASILQYZKIW-MRXNPFEDSA-N 0 3 316.445 3.353 20 30 DGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000948816780 662000692 /nfs/dbraw/zinc/00/06/92/662000692.db2.gz NLFGCDITBIJVMU-HKUYNNGSSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000948902843 662005861 /nfs/dbraw/zinc/00/58/61/662005861.db2.gz VUGKJTVEAULSEK-ZGXWSNOMSA-N 0 3 324.468 3.324 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1CC=CC1 ZINC000948902030 662006305 /nfs/dbraw/zinc/00/63/05/662006305.db2.gz KIIADRQZJORGMD-LJQANCHMSA-N 0 3 310.441 3.244 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000948966055 662009974 /nfs/dbraw/zinc/00/99/74/662009974.db2.gz 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/nfs/dbraw/zinc/21/70/10/662217010.db2.gz DXSZOSCOBNVXHM-RBUKOAKNSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(C)CCN1CCCN(C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC000982111494 685343413 /nfs/dbraw/zinc/34/34/13/685343413.db2.gz ULWWFLZKHHUHRT-HNNXBMFYSA-N 0 3 319.449 3.302 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC001002023335 685362192 /nfs/dbraw/zinc/36/21/92/685362192.db2.gz LGITUFBFBZZZGG-UHFFFAOYSA-N 0 3 322.408 3.022 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cccn2C2CCCC2)CC1 ZINC001006192983 685366107 /nfs/dbraw/zinc/36/61/07/685366107.db2.gz PKIGWNKPXRJQJC-UHFFFAOYSA-N 0 3 315.461 3.326 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001026110326 685376068 /nfs/dbraw/zinc/37/60/68/685376068.db2.gz SPFNAYKORZMNQZ-OCABDXPQSA-N 0 3 304.478 3.071 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001046385577 685399728 /nfs/dbraw/zinc/39/97/28/685399728.db2.gz PBLTYMDJWLVQLF-BJLQDIEVSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C2CCCC2)CC[C@@H]1C ZINC001071573353 686692299 /nfs/dbraw/zinc/69/22/99/686692299.db2.gz DTTDTGYBTQTXAD-RDJZCZTQSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(C)c(Cl)c2)CC[C@@H]1C ZINC001071606545 686699102 /nfs/dbraw/zinc/69/91/02/686699102.db2.gz KCQHIQGLKRKRLW-HOCLYGCPSA-N 0 3 320.864 3.346 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccccc2CC)CC[C@@H]1C ZINC001071607789 686699354 /nfs/dbraw/zinc/69/93/54/686699354.db2.gz RREVZFIRWRBHCA-QFBILLFUSA-N 0 3 314.473 3.337 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C)cc2Cl)CC[C@@H]1C ZINC001071623572 686706352 /nfs/dbraw/zinc/70/63/52/686706352.db2.gz ZOZLVLYEEFVMQJ-GOEBONIOSA-N 0 3 320.864 3.346 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(C)cc2Cl)CC[C@H]1C ZINC001071623574 686706442 /nfs/dbraw/zinc/70/64/42/686706442.db2.gz ZOZLVLYEEFVMQJ-ZBFHGGJFSA-N 0 3 320.864 3.346 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2cc(COC)cs2)CC[C@H]1C ZINC001071650825 686712885 /nfs/dbraw/zinc/71/28/85/686712885.db2.gz DFBIVKHIDMKLOZ-HIFRSBDPSA-N 0 3 322.474 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)cc2)CC[C@H]1C ZINC001071662591 686716062 /nfs/dbraw/zinc/71/60/62/686716062.db2.gz DEAQRQHPZJGEFJ-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)oc(C)c2C)CC[C@@H]1C ZINC001071666684 686718646 /nfs/dbraw/zinc/71/86/46/686718646.db2.gz PDMMTHBAWGCKHF-BLLLJJGKSA-N 0 3 304.434 3.364 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(C(F)F)c2)CC[C@H]1C ZINC001071683017 686721991 /nfs/dbraw/zinc/72/19/91/686721991.db2.gz WFVULBDNKLMCOX-CZUORRHYSA-N 0 3 322.399 3.322 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2ccc(C)c3cccnc23)CC[C@H]1C ZINC001071695759 686725907 /nfs/dbraw/zinc/72/59/07/686725907.db2.gz SVDRMNACHKEYIW-CVEARBPZSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(C3CC3)c2)CC[C@H]1C ZINC001071701844 686727935 /nfs/dbraw/zinc/72/79/35/686727935.db2.gz PELQOKAQXYMVAI-DNVCBOLYSA-N 0 3 312.457 3.262 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(C3CC3)c2)CC[C@@H]1C ZINC001071701845 686728571 /nfs/dbraw/zinc/72/85/71/686728571.db2.gz PELQOKAQXYMVAI-HNAYVOBHSA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3ncccc32)CC[C@H]1C ZINC001071722657 686732933 /nfs/dbraw/zinc/73/29/33/686732933.db2.gz YOLYXJKTLHAIIU-HZPDHXFCSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2CC)CC[C@@H]1C ZINC001071768719 686745586 /nfs/dbraw/zinc/74/55/86/686745586.db2.gz BEOKNJUDDMIFIJ-DOTOQJQBSA-N 0 3 300.446 3.408 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)cc2C)CC[C@H]1C ZINC001071789751 686754304 /nfs/dbraw/zinc/75/43/04/686754304.db2.gz XWKKDECNBVZWLE-GDBMZVCRSA-N 0 3 318.848 3.254 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)cc(C)cc2C)CC[C@@H]1C ZINC001071792990 686755635 /nfs/dbraw/zinc/75/56/35/686755635.db2.gz SHUVRCKWIGMAHF-ZWKOTPCHSA-N 0 3 314.473 3.309 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(F)c2Cl)CC[C@H]1C ZINC001071841024 686767154 /nfs/dbraw/zinc/76/71/54/686767154.db2.gz OWPQPDNHHOCDSC-OLZOCXBDSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)cc(F)c2)CC[C@@H]1C ZINC001071839250 686767312 /nfs/dbraw/zinc/76/73/12/686767312.db2.gz CTBVRGXHIPWKPA-YOEHRIQHSA-N 0 3 304.409 3.293 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@@H]1C ZINC001071861117 686774687 /nfs/dbraw/zinc/77/46/87/686774687.db2.gz NSCRGVGJMQFOOD-RDJZCZTQSA-N 0 3 311.429 3.098 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(Cl)ccc2C)CC[C@@H]1C ZINC001071901712 686787868 /nfs/dbraw/zinc/78/78/68/686787868.db2.gz VLGGMIJLMMRLCM-GOEBONIOSA-N 0 3 318.848 3.254 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)oc2C)CC[C@H]1C ZINC001071950075 686795286 /nfs/dbraw/zinc/79/52/86/686795286.db2.gz DHJDNMWMAZVFDJ-GDBMZVCRSA-N 0 3 316.445 3.317 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3cnccc3c2)CC[C@H]1C ZINC001071966188 686799801 /nfs/dbraw/zinc/79/98/01/686799801.db2.gz CCOQXLJMTMFADK-DNVCBOLYSA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)cc(C)c2)CC[C@@H]1C ZINC001072022512 686828518 /nfs/dbraw/zinc/82/85/18/686828518.db2.gz BFWRTLRJVKOLRP-FUHWJXTLSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2C)CC[C@H]1C ZINC001072038032 686836780 /nfs/dbraw/zinc/83/67/80/686836780.db2.gz ZJQLJWBXHWSEHE-NVXWUHKLSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OCC)cc2)CC[C@H]1C ZINC001072037708 686837016 /nfs/dbraw/zinc/83/70/16/686837016.db2.gz SULMYKZLFXTEQV-NVXWUHKLSA-N 0 3 316.445 3.244 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)cc2Cl)CC[C@@H]1C ZINC001072044507 686841102 /nfs/dbraw/zinc/84/11/02/686841102.db2.gz MLQKGABWFAZWIK-GXTWGEPZSA-N 0 3 322.811 3.085 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(F)cc(F)c2)CC[C@H]1C ZINC001072051047 686846622 /nfs/dbraw/zinc/84/66/22/686846622.db2.gz FGESMDVFJNPWMO-MLGOLLRUSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@H]1C ZINC001072050549 686847212 /nfs/dbraw/zinc/84/72/12/686847212.db2.gz ZCOCAAUWLYUGBC-SJLPKXTDSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)cc(C)cc2C)CC[C@@H]1C ZINC001072055029 686850135 /nfs/dbraw/zinc/85/01/35/686850135.db2.gz OAAKYZZAEZGNPG-ROUUACIJSA-N 0 3 312.457 3.218 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3cnccc32)CC[C@H]1C ZINC001072082532 686857310 /nfs/dbraw/zinc/85/73/10/686857310.db2.gz ZNNMSLJFXLFUED-NVXWUHKLSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C3CC3)cc2)CC[C@@H]1C ZINC001072088217 686859596 /nfs/dbraw/zinc/85/95/96/686859596.db2.gz IEPGYYDVKOUZIF-HNAYVOBHSA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)c3c2CCC3)CC[C@H]1C ZINC001072105516 686869059 /nfs/dbraw/zinc/86/90/59/686869059.db2.gz JARIIAJYEZDJCZ-IAGOWNOFSA-N 0 3 324.468 3.090 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(CF)cc2)CC[C@@H]1C ZINC001072106229 686869390 /nfs/dbraw/zinc/86/93/90/686869390.db2.gz PHTMUPJJJAWWRI-WMLDXEAASA-N 0 3 304.409 3.315 20 30 DGEDHN C=C(C)CCN1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@@H]1C ZINC001072109141 686870750 /nfs/dbraw/zinc/87/07/50/686870750.db2.gz CBBFYWUQFUWHHL-UONOGXRCSA-N 0 3 321.490 3.254 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)c3ccc(Cl)s3)C2)C1 ZINC001073115297 687013929 /nfs/dbraw/zinc/01/39/29/687013929.db2.gz ZVQUHQYGEYGBNG-LBPRGKRZSA-N 0 3 324.877 3.225 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC001073146310 687019534 /nfs/dbraw/zinc/01/95/34/687019534.db2.gz LDFVRDWJNBFQOU-UHFFFAOYSA-N 0 3 318.420 3.011 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC3CCC(C)(C)CC3)C2)C1 ZINC001073495563 687207054 /nfs/dbraw/zinc/20/70/54/687207054.db2.gz LKLOATWEOMFZEK-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC001075938929 687457187 /nfs/dbraw/zinc/45/71/87/687457187.db2.gz PMSFLWLPOBZWEL-OKZBNKHCSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC001076011249 687465879 /nfs/dbraw/zinc/46/58/79/687465879.db2.gz CQXUVGINOSANCQ-BLLLJJGKSA-N 0 3 322.811 3.202 20 30 DGEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3csc4ccccc34)[C@@H]2C1 ZINC001076101126 687479050 /nfs/dbraw/zinc/47/90/50/687479050.db2.gz VZSUWOITUBAAML-WMLDXEAASA-N 0 3 324.449 3.071 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc4c(cc(C)cc4C)[nH]3)[C@@H]2C1 ZINC001076099163 687479127 /nfs/dbraw/zinc/47/91/27/687479127.db2.gz NBGAGFZXRLWPFX-HNAYVOBHSA-N 0 3 323.440 3.117 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC001076324295 687508884 /nfs/dbraw/zinc/50/88/84/687508884.db2.gz QVIPGFBCKUCFNH-WCQYABFASA-N 0 3 310.850 3.124 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)[C@@H]2C1 ZINC001076555182 687538524 /nfs/dbraw/zinc/53/85/24/687538524.db2.gz AFDATRHASYDGQX-QFBILLFUSA-N 0 3 323.440 3.117 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076621943 687545260 /nfs/dbraw/zinc/54/52/60/687545260.db2.gz NRJYRNUSMXBNJU-YESZJQIVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)[C@@H]2C1 ZINC001076618513 687545383 /nfs/dbraw/zinc/54/53/83/687545383.db2.gz PACRRTYKVXNQEE-DLBZAZTESA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccccc2)C12CCC2 ZINC001078538824 687678962 /nfs/dbraw/zinc/67/89/62/687678962.db2.gz JDRYQJOVMKFVBB-CABCVRRESA-N 0 3 304.821 3.070 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2oc(C)cc2C)C12CCC2 ZINC001078585331 687684956 /nfs/dbraw/zinc/68/49/56/687684956.db2.gz DPJGQDHXESHFBO-KGLIPLIRSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cc(C)c(C)o2)C12CCC2 ZINC001078598640 687687618 /nfs/dbraw/zinc/68/76/18/687687618.db2.gz HUUOQWAUVUGWJF-CABCVRRESA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CC=CC2)C12CCC2 ZINC001078718525 687712413 /nfs/dbraw/zinc/71/24/13/687712413.db2.gz RFYAVSUUXCKSQP-KBPBESRZSA-N 0 3 308.853 3.112 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001079813131 687891224 /nfs/dbraw/zinc/89/12/24/687891224.db2.gz LSLRLOASFLLSSV-AUUYWEPGSA-N 0 3 324.399 3.052 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001079984033 687909829 /nfs/dbraw/zinc/90/98/29/687909829.db2.gz ZGLQDJDHLNUNDP-ZIAGYGMSSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001080123201 687922764 /nfs/dbraw/zinc/92/27/64/687922764.db2.gz MOLRWGHZPBAKFK-LZQZEXGQSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001080487798 687985037 /nfs/dbraw/zinc/98/50/37/687985037.db2.gz MXNNBNPIQOCJKN-CZUORRHYSA-N 0 3 306.837 3.275 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001080588399 687997301 /nfs/dbraw/zinc/99/73/01/687997301.db2.gz CJJCAAPODQGEDF-VJUNAUMWSA-N 0 3 318.848 3.066 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001080618564 688002766 /nfs/dbraw/zinc/00/27/66/688002766.db2.gz HZPZMSWCMQJKDR-CHWSQXEVSA-N 0 3 321.490 3.067 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001080781035 688011954 /nfs/dbraw/zinc/01/19/54/688011954.db2.gz KYEPGOUYWQHFGC-CZUORRHYSA-N 0 3 318.848 3.030 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001080803063 688013997 /nfs/dbraw/zinc/01/39/97/688013997.db2.gz LMYRZBWCRWMFCV-SOLBZPMBSA-N 0 3 300.446 3.111 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001080822035 688015235 /nfs/dbraw/zinc/01/52/35/688015235.db2.gz MXQDDHZOMDLHON-OXQOHEQNSA-N 0 3 322.452 3.395 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001080905776 688026431 /nfs/dbraw/zinc/02/64/31/688026431.db2.gz RSARZTIZHRWHFT-CZUORRHYSA-N 0 3 318.486 3.253 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)C=C2CCCCC2)C[C@H]1c1ccccc1 ZINC001081094014 688051241 /nfs/dbraw/zinc/05/12/41/688051241.db2.gz GWQSPSNZBKUWRJ-VQTJNVASSA-N 0 3 322.452 3.094 20 30 DGEDHN CCCCCCCCC[N@H+](C)Cc1ccncc1-c1nnn[n-]1 ZINC001577506459 1191905999 /nfs/dbraw/zinc/90/59/99/1191905999.db2.gz WGXAMGCTSVBGFQ-UHFFFAOYSA-N 0 3 316.453 3.444 20 30 DGEDHN CCCCCCCCC[N@@H+](C)Cc1ccncc1-c1nnn[n-]1 ZINC001577506459 1191906001 /nfs/dbraw/zinc/90/60/01/1191906001.db2.gz WGXAMGCTSVBGFQ-UHFFFAOYSA-N 0 3 316.453 3.444 20 30 DGEDHN CCCCCCCCC[N@H+](C)Cc1ccncc1-c1nn[n-]n1 ZINC001577506459 1191906003 /nfs/dbraw/zinc/90/60/03/1191906003.db2.gz WGXAMGCTSVBGFQ-UHFFFAOYSA-N 0 3 316.453 3.444 20 30 DGEDHN CCCCCCCCC[N@@H+](C)Cc1ccncc1-c1nn[n-]n1 ZINC001577506459 1191906004 /nfs/dbraw/zinc/90/60/04/1191906004.db2.gz WGXAMGCTSVBGFQ-UHFFFAOYSA-N 0 3 316.453 3.444 20 30 DGEDHN COc1cc(Cl)c(NC(=O)[C@@H](N)CCCCC#N)cc1C ZINC001579155605 1191967631 /nfs/dbraw/zinc/96/76/31/1191967631.db2.gz QQRCCEGTBSBDRD-LBPRGKRZSA-N 0 3 309.797 3.007 20 30 DGEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CNC1CC1 ZINC001579639404 1191983879 /nfs/dbraw/zinc/98/38/79/1191983879.db2.gz HYTPDAXEUSVHFR-UHFFFAOYSA-N 0 3 321.380 3.350 20 30 DGEDHN Cc1ccc([C@H]2CCN(C(=O)[C@H](N)CCCCC#N)C2)c(C)c1 ZINC001579679001 1191986756 /nfs/dbraw/zinc/98/67/56/1191986756.db2.gz QUBOZOZDOYJWMB-FUHWJXTLSA-N 0 3 313.445 3.031 20 30 DGEDHN Cc1ccc(Cl)c2c1CCCN2C(=O)[C@H](N)CCCCC#N ZINC001579703340 1191987788 /nfs/dbraw/zinc/98/77/88/1191987788.db2.gz KGDCPSYNJIJNRF-OAHLLOKOSA-N 0 3 319.836 3.339 20 30 DGEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC001620573683 1191997220 /nfs/dbraw/zinc/99/72/20/1191997220.db2.gz SSQLRMCIDMBQJO-OLZOCXBDSA-N 0 3 324.346 3.378 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(CC1CCCCC1)c1ccccn1 ZINC001580047545 1192004449 /nfs/dbraw/zinc/00/44/49/1192004449.db2.gz KAAVIZYKMMEGCP-INIZCTEOSA-N 0 3 314.433 3.016 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1cc2ccccc2cc1C#N ZINC001580050925 1192004955 /nfs/dbraw/zinc/00/49/55/1192004955.db2.gz RNEZKOUUVWEWIZ-INIZCTEOSA-N 0 3 306.369 3.061 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC001580050749 1192004985 /nfs/dbraw/zinc/00/49/85/1192004985.db2.gz KCHCAOLZRULENF-INIZCTEOSA-N 0 3 324.384 3.224 20 30 DGEDHN C=CC[C@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccncc1 ZINC001620799658 1192082881 /nfs/dbraw/zinc/08/28/81/1192082881.db2.gz HCCUCTHSOVKFJG-IBGZPJMESA-N 0 3 321.424 3.381 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001661732501 1196638304 /nfs/dbraw/zinc/63/83/04/1196638304.db2.gz BLFUVRDYNOWHIP-OAHLLOKOSA-N 0 3 306.475 3.433 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)C ZINC001584868431 1192227191 /nfs/dbraw/zinc/22/71/91/1192227191.db2.gz JKNDPAUGCUCVOK-ROUUACIJSA-N 0 3 300.446 3.163 20 30 DGEDHN C#CCN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1CCN(C)CC1 ZINC001585116077 1192242462 /nfs/dbraw/zinc/24/24/62/1192242462.db2.gz YZQIDZISQCMCSG-UHFFFAOYSA-N 0 3 318.505 3.395 20 30 DGEDHN CC(C)(C)OC(=O)C(C)(C)CCNCC#Cc1ccccc1 ZINC001621403894 1192254764 /nfs/dbraw/zinc/25/47/64/1192254764.db2.gz PVVFBUWXSUJYJK-UHFFFAOYSA-N 0 3 301.430 3.386 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001586489670 1192333566 /nfs/dbraw/zinc/33/35/66/1192333566.db2.gz NNQIMKPRXJIYNE-SJLPKXTDSA-N 0 3 300.446 3.370 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001663684276 1196928049 /nfs/dbraw/zinc/92/80/49/1196928049.db2.gz VAQDPGOEDOZVPX-PIIMJCKOSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588559961 1192450355 /nfs/dbraw/zinc/45/03/55/1192450355.db2.gz MLRVHEAWBQJOMF-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588559961 1192450358 /nfs/dbraw/zinc/45/03/58/1192450358.db2.gz MLRVHEAWBQJOMF-LBPRGKRZSA-N 0 3 317.824 3.308 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cc(C)ns1)C(C)C ZINC001664531055 1197010177 /nfs/dbraw/zinc/01/01/77/1197010177.db2.gz URRUAHJYGMONFV-UHFFFAOYSA-N 0 3 323.506 3.380 20 30 DGEDHN CCC(=CC(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1)CC ZINC001670460920 1176143667 /nfs/dbraw/zinc/14/36/67/1176143667.db2.gz QJIQZDUPRQRJQB-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CC[C@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001671487033 1176149047 /nfs/dbraw/zinc/14/90/47/1176149047.db2.gz JDNGXUAUNGBLLG-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001670682768 1176215282 /nfs/dbraw/zinc/21/52/82/1176215282.db2.gz VSDPVEYWGVKMRB-IEBWSBKVSA-N 0 3 314.473 3.487 20 30 DGEDHN O=C(CC#Cc1ccccc1)NC[C@H]1CCN1CCCC1CCC1 ZINC001670729779 1176251220 /nfs/dbraw/zinc/25/12/20/1176251220.db2.gz NBUKWSWRIYJNFQ-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)NCc2cscn2)C1 ZINC001772541445 1176273085 /nfs/dbraw/zinc/27/30/85/1176273085.db2.gz CCDQISAPIHHPJM-CABCVRRESA-N 0 3 321.490 3.216 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCCCCC)cc1 ZINC001691052907 1176278624 /nfs/dbraw/zinc/27/86/24/1176278624.db2.gz GNKAUTQLRIKUHH-IBGZPJMESA-N 0 3 312.457 3.395 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC(F)(F)F ZINC001691067963 1176292340 /nfs/dbraw/zinc/29/23/40/1176292340.db2.gz DKUQOYQIHRNEDA-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001691084183 1176300111 /nfs/dbraw/zinc/30/01/11/1176300111.db2.gz PNPGYMHUJXETCM-NFAWXSAZSA-N 0 3 322.399 3.476 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001691093480 1176305880 /nfs/dbraw/zinc/30/58/80/1176305880.db2.gz TVMNFKPJHHWHPG-BETUJISGSA-N 0 3 324.877 3.189 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001691126812 1176329765 /nfs/dbraw/zinc/32/97/65/1176329765.db2.gz YLUWXCLRDSKHTM-CALCHBBNSA-N 0 3 320.864 3.083 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001691180479 1176363874 /nfs/dbraw/zinc/36/38/74/1176363874.db2.gz CXZNXYDAQDVMNV-HZPDHXFCSA-N 0 3 318.486 3.012 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)Cc1cccc(C)c1Cl ZINC001691186201 1176370678 /nfs/dbraw/zinc/37/06/78/1176370678.db2.gz JQIJBMVORCDNDW-UHFFFAOYSA-N 0 3 320.864 3.042 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cc(CCC)c(C)s1 ZINC001691198357 1176379663 /nfs/dbraw/zinc/37/96/63/1176379663.db2.gz REWNFFJAJMSCID-UHFFFAOYSA-N 0 3 306.475 3.084 20 30 DGEDHN C=CCCC(=O)NCCN(C1CC1)[C@@H]1CCc2c1cccc2F ZINC001691202767 1176387772 /nfs/dbraw/zinc/38/77/72/1176387772.db2.gz CAFZTQXZUYYCFH-GOSISDBHSA-N 0 3 316.420 3.360 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001691203870 1176391677 /nfs/dbraw/zinc/39/16/77/1176391677.db2.gz PCBKYCWIAAANRX-LSTHTHJFSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001691261274 1176416840 /nfs/dbraw/zinc/41/68/40/1176416840.db2.gz UTWRRWDFKMTPJA-OFQRWUPVSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001691288597 1176425629 /nfs/dbraw/zinc/42/56/29/1176425629.db2.gz CBDDSZHCSGHEKN-DOTOQJQBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)Cc1c(F)cccc1F ZINC001691395309 1176463119 /nfs/dbraw/zinc/46/31/19/1176463119.db2.gz IMTCAPPILIXUJR-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001691398390 1176464590 /nfs/dbraw/zinc/46/45/90/1176464590.db2.gz AHAMORUMAQOLJM-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001691398393 1176464976 /nfs/dbraw/zinc/46/49/76/1176464976.db2.gz AHAMORUMAQOLJM-YJBOKZPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001691402458 1176468844 /nfs/dbraw/zinc/46/88/44/1176468844.db2.gz LKVAMICQPLGPFO-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCC=C)C1 ZINC001691441245 1176578918 /nfs/dbraw/zinc/57/89/18/1176578918.db2.gz CNLOJEZCHAGTJR-WOJBJXKFSA-N 0 3 324.468 3.340 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC001752141892 1176680257 /nfs/dbraw/zinc/68/02/57/1176680257.db2.gz OZBZAGQHNCVDSP-SPBMYTGYSA-N 0 3 310.869 3.454 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001755029268 1176723018 /nfs/dbraw/zinc/72/30/18/1176723018.db2.gz UVTIMRXZCCDLKG-CQSZACIVSA-N 0 3 318.383 3.103 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001267728090 1176764244 /nfs/dbraw/zinc/76/42/44/1176764244.db2.gz UQKZSSWGWPAMCU-INIZCTEOSA-N 0 3 318.486 3.065 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCC2CCCCC2)CC1 ZINC001752432281 1176800500 /nfs/dbraw/zinc/80/05/00/1176800500.db2.gz SKFHZGHHNRFRIM-SFHVURJKSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c(C)cccc1F)c1ccccc1 ZINC001691805908 1177014854 /nfs/dbraw/zinc/01/48/54/1177014854.db2.gz SVAQNTAEWKNMFA-KRWDZBQOSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCCCC(=O)N1CC[C@]2(C1)CN([C@@H](C)CCC=C)CCO2 ZINC001755401048 1177027499 /nfs/dbraw/zinc/02/74/99/1177027499.db2.gz DPXVGJCNHBAQPO-PKOBYXMFSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cccc(OC)c2)CC1 ZINC001670850972 1177232155 /nfs/dbraw/zinc/23/21/55/1177232155.db2.gz XUSLXMXCKNECQH-GOSISDBHSA-N 0 3 316.445 3.036 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](CC)CCCC)CC(C)(C)C1 ZINC001691809409 1177313532 /nfs/dbraw/zinc/31/35/32/1177313532.db2.gz NBZZYHSHZYEEHT-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C[C@@H](C)SC)C1 ZINC001691617570 1177330164 /nfs/dbraw/zinc/33/01/64/1177330164.db2.gz NIPOLXVIPAHLCN-ZIAGYGMSSA-N 0 3 318.914 3.241 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001670864387 1177377604 /nfs/dbraw/zinc/37/76/04/1177377604.db2.gz XOBKYYZYFZJBDB-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C[C@@H](C(=O)NCC1(NCc2ccccc2)CC1)c1ccccc1 ZINC001670903366 1177523961 /nfs/dbraw/zinc/52/39/61/1177523961.db2.gz HPEJAHICSQZDJT-LJQANCHMSA-N 0 3 320.436 3.395 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC(C)C ZINC001671010898 1177570160 /nfs/dbraw/zinc/57/01/60/1177570160.db2.gz CTEHMHPOKNQZOU-GBESFXJTSA-N 0 3 318.505 3.393 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](CCC)C(C)C)C2)CC1 ZINC001671059802 1177649903 /nfs/dbraw/zinc/64/99/03/1177649903.db2.gz RFJWTAXRPVWZGR-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001691674276 1177670322 /nfs/dbraw/zinc/67/03/22/1177670322.db2.gz BOAPPGMAQXHJNB-KBPBESRZSA-N 0 3 322.399 3.466 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001691682147 1177684725 /nfs/dbraw/zinc/68/47/25/1177684725.db2.gz ISZGLTPGGVHDOL-QAPCUYQASA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001691683871 1177685162 /nfs/dbraw/zinc/68/51/62/1177685162.db2.gz UJQDLHMZHGIZCX-WFASDCNBSA-N 0 3 321.490 3.261 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@@H](C)CC)C2)CC1 ZINC001691689691 1177690081 /nfs/dbraw/zinc/69/00/81/1177690081.db2.gz KBKGEHIQVZWYLH-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC001113738864 1177728389 /nfs/dbraw/zinc/72/83/89/1177728389.db2.gz IDJRSFRLVDINCW-AOCRQIFASA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)C(=O)NCCCN(CC#Cc1ccc(F)cc1)C(C)C ZINC001691702071 1177848157 /nfs/dbraw/zinc/84/81/57/1177848157.db2.gz ZXOYJXPRUPANKK-UHFFFAOYSA-N 0 3 318.436 3.050 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cc(C3CC3)on2)C1 ZINC001691857976 1177878049 /nfs/dbraw/zinc/87/80/49/1177878049.db2.gz YYKVRPDERBGGTI-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)CCCC)C[C@@H](C)O2 ZINC001111541864 1177906863 /nfs/dbraw/zinc/90/68/63/1177906863.db2.gz FHSFCKOQLSWXMR-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110934687 1177944524 /nfs/dbraw/zinc/94/45/24/1177944524.db2.gz KUMYRVAFKMNRHO-MLHJIOFPSA-N 0 3 322.493 3.125 20 30 DGEDHN Cc1cc(C#N)cc(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)c1 ZINC001227838363 1178076386 /nfs/dbraw/zinc/07/63/86/1178076386.db2.gz LBOABNUYYSEJCH-NVXWUHKLSA-N 0 3 307.397 3.476 20 30 DGEDHN CC(C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1)=C1CCC1 ZINC001331438696 1178213544 /nfs/dbraw/zinc/21/35/44/1178213544.db2.gz IZMLVUSTWDNYGI-LBPRGKRZSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2ccsc2)CC1 ZINC001331548481 1178242070 /nfs/dbraw/zinc/24/20/70/1178242070.db2.gz QQIRZTPFSXBOOX-CQSZACIVSA-N 0 3 306.475 3.431 20 30 DGEDHN CC(C)CN(CCC#N)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001331555735 1178245052 /nfs/dbraw/zinc/24/50/52/1178245052.db2.gz QWHLTMRBFQBZLT-UHFFFAOYSA-N 0 3 309.454 3.115 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001332029576 1178339798 /nfs/dbraw/zinc/33/97/98/1178339798.db2.gz RCAXCGXTUHQXSW-KBPBESRZSA-N 0 3 317.458 3.055 20 30 DGEDHN CC(C)(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC001332077089 1178351430 /nfs/dbraw/zinc/35/14/30/1178351430.db2.gz LYJGUOIBRATEBL-OAHLLOKOSA-N 0 3 305.397 3.473 20 30 DGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cncc(C#N)c1 ZINC001332736676 1178486134 /nfs/dbraw/zinc/48/61/34/1178486134.db2.gz WJDBRSLBZMDQHR-PXAZEXFGSA-N 0 3 315.804 3.472 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2ncsc2c1)C(C)C ZINC001332741377 1178490213 /nfs/dbraw/zinc/49/02/13/1178490213.db2.gz YOPLIVZCLNPTAG-UHFFFAOYSA-N 0 3 317.458 3.265 20 30 DGEDHN COCCN(CCCCC1(C#N)CCC1)Cc1cccnc1 ZINC001332980406 1178534138 /nfs/dbraw/zinc/53/41/38/1178534138.db2.gz MKGXSPDDPSFJOY-UHFFFAOYSA-N 0 3 301.434 3.394 20 30 DGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)CC2(CCOCC2)O1 ZINC001333016640 1178541081 /nfs/dbraw/zinc/54/10/81/1178541081.db2.gz ISTFDSJYNWCTNT-MRXNPFEDSA-N 0 3 306.450 3.120 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)CCC2CCC2)c(F)c1 ZINC001333470316 1178610825 /nfs/dbraw/zinc/61/08/25/1178610825.db2.gz HFNLHHGDCGRAOJ-UHFFFAOYSA-N 0 3 304.409 3.298 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001341876780 1179075432 /nfs/dbraw/zinc/07/54/32/1179075432.db2.gz QXQMVOBDQUTIQZ-UKRRQHHQSA-N 0 3 322.836 3.003 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)NC(C1CCCC1)C1CCCC1 ZINC001341968812 1179087694 /nfs/dbraw/zinc/08/76/94/1179087694.db2.gz URAUPPPVNOVSRR-MRXNPFEDSA-N 0 3 305.466 3.263 20 30 DGEDHN N#CC(C(=O)CCC(F)F)c1nccn1Cc1ccccc1 ZINC001342269956 1179125224 /nfs/dbraw/zinc/12/52/24/1179125224.db2.gz XDPFIBRJBJGLAS-ZDUSSCGKSA-N 0 3 303.312 3.153 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)s1 ZINC001342339263 1179131119 /nfs/dbraw/zinc/13/11/19/1179131119.db2.gz LMCKERMUGXBNEV-SNVBAGLBSA-N 0 3 306.353 3.067 20 30 DGEDHN N#CC(C(=O)c1cccs1)c1nccn1Cc1ccccc1 ZINC001342522828 1179149104 /nfs/dbraw/zinc/14/91/04/1179149104.db2.gz YYXBNRQQJBOJHS-AWEZNQCLSA-N 0 3 307.378 3.483 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ccc(OC)cc1)C1CCC1 ZINC001342697471 1179174915 /nfs/dbraw/zinc/17/49/15/1179174915.db2.gz LOAYRTQDHIRUSN-MSOLQXFVSA-N 0 3 316.445 3.336 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC001343127331 1179235949 /nfs/dbraw/zinc/23/59/49/1179235949.db2.gz RCQYBDDJUJCOMT-MRXNPFEDSA-N 0 3 304.821 3.081 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC001343530202 1179292861 /nfs/dbraw/zinc/29/28/61/1179292861.db2.gz HXVVMIXZWYCOFQ-CHWSQXEVSA-N 0 3 319.474 3.490 20 30 DGEDHN Cc1cc(C)n(CCCC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC001343704927 1179319283 /nfs/dbraw/zinc/31/92/83/1179319283.db2.gz NCCRBDBUQRPTBM-CQSZACIVSA-N 0 3 322.368 3.298 20 30 DGEDHN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2cccc(F)n2)ccn1 ZINC001344025099 1179365927 /nfs/dbraw/zinc/36/59/27/1179365927.db2.gz YHAQEIRQUOJPBE-WCQYABFASA-N 0 3 313.332 3.283 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1ccc(F)cc1 ZINC001344321814 1179412204 /nfs/dbraw/zinc/41/22/04/1179412204.db2.gz BQLVHWNFRLJRJV-OAHLLOKOSA-N 0 3 315.348 3.078 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001344322192 1179413029 /nfs/dbraw/zinc/41/30/29/1179413029.db2.gz JNMGLSOFZFXVOV-HTQZYQBOSA-N 0 3 320.607 3.224 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344367469 1179420959 /nfs/dbraw/zinc/42/09/59/1179420959.db2.gz GXJPPZBMUUUBJN-MNOVXSKESA-N 0 3 317.776 3.209 20 30 DGEDHN C[C@H]1[C@H](OC(=O)c2ccc(C#N)[nH]2)CCCN1Cc1ccccc1 ZINC001345776080 1179605131 /nfs/dbraw/zinc/60/51/31/1179605131.db2.gz MRLIGFQKWLBZPQ-KBXCAEBGSA-N 0 3 323.396 3.096 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC001346095481 1179652027 /nfs/dbraw/zinc/65/20/27/1179652027.db2.gz FAQDGQVIXKQHQE-YOEHRIQHSA-N 0 3 307.397 3.274 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001346097122 1179653157 /nfs/dbraw/zinc/65/31/57/1179653157.db2.gz YFQUXLKFRILLPX-LLVKDONJSA-N 0 3 305.740 3.114 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001602818891 1192998675 /nfs/dbraw/zinc/99/86/75/1192998675.db2.gz YXHZBZJBEBVZLU-UHFFFAOYSA-N 0 3 315.396 3.374 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001602818891 1192998678 /nfs/dbraw/zinc/99/86/78/1192998678.db2.gz YXHZBZJBEBVZLU-UHFFFAOYSA-N 0 3 315.396 3.374 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001602818252 1192999031 /nfs/dbraw/zinc/99/90/31/1192999031.db2.gz JIYKEUJQFDXUIW-UHFFFAOYSA-N 0 3 317.824 3.499 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001602818252 1192999033 /nfs/dbraw/zinc/99/90/33/1192999033.db2.gz JIYKEUJQFDXUIW-UHFFFAOYSA-N 0 3 317.824 3.499 20 30 DGEDHN C=CCCC(=O)NCC1CC(N[C@H](C)c2ccc(F)cc2F)C1 ZINC001100169387 1180417761 /nfs/dbraw/zinc/41/77/61/1180417761.db2.gz PNPGYMHUJXETCM-DNOWBOINSA-N 0 3 322.399 3.476 20 30 DGEDHN O=C(CCC1CCC1)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100226495 1180467142 /nfs/dbraw/zinc/46/71/42/1180467142.db2.gz BOGDGAGIAVDLAP-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1cnc(-c2ccccc2)s1 ZINC001353381015 1180543535 /nfs/dbraw/zinc/54/35/35/1180543535.db2.gz GAAXSDAHCUIUNE-OAHLLOKOSA-N 0 3 315.442 3.110 20 30 DGEDHN CCCCCCCCCNC(=S)N(CC)CCN(C)C ZINC001200369025 1180580117 /nfs/dbraw/zinc/58/01/17/1180580117.db2.gz KSFJKPJNLNBAIP-UHFFFAOYSA-N 0 3 301.544 3.495 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001480533513 1180618297 /nfs/dbraw/zinc/61/82/97/1180618297.db2.gz KLKUZHXZLQVHSK-OLZOCXBDSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@](C)(F)CCCC)C1 ZINC001100461012 1180707765 /nfs/dbraw/zinc/70/77/65/1180707765.db2.gz HVXMKRSYFYSLRP-SSDMNJCBSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2cccc(C)c2)C1 ZINC001100544499 1180778242 /nfs/dbraw/zinc/77/82/42/1180778242.db2.gz KCJNMIYCGHBKNB-UHFFFAOYSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100594965 1180834860 /nfs/dbraw/zinc/83/48/60/1180834860.db2.gz ITFLDOHRXKTTJY-KKXNLOMOSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2c(C)nsc2C)C1 ZINC001100623448 1180861169 /nfs/dbraw/zinc/86/11/69/1180861169.db2.gz ODOGCWUUERDWEF-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(NCc2nc(C)sc2C)CC1 ZINC001200823267 1180939659 /nfs/dbraw/zinc/93/96/59/1180939659.db2.gz GBBWIICGENTQKX-UHFFFAOYSA-N 0 3 321.490 3.197 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 ZINC001356293516 1181170499 /nfs/dbraw/zinc/17/04/99/1181170499.db2.gz JEOKPQUBZGJNMM-SJORKVTESA-N 0 3 304.434 3.288 20 30 DGEDHN N#CCn1c(C(=O)C(C#N)c2cccc(F)n2)cc2ccccc21 ZINC001357599485 1181412734 /nfs/dbraw/zinc/41/27/34/1181412734.db2.gz VYCCNOPBAFKISV-CYBMUJFWSA-N 0 3 318.311 3.189 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)c1cc(F)ccc1OC ZINC001358168047 1181463712 /nfs/dbraw/zinc/46/37/12/1181463712.db2.gz NHVHJELUIGUKFJ-GJZGRUSLSA-N 0 3 308.397 3.085 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)[C@H](N)C3CCCCC3)cc21 ZINC001358296534 1181475342 /nfs/dbraw/zinc/47/53/42/1181475342.db2.gz OHPWMNMVEIHOIE-QGZVFWFLSA-N 0 3 312.417 3.068 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001091162579 1181600762 /nfs/dbraw/zinc/60/07/62/1181600762.db2.gz PESFSKXIWVLXOI-BPCQOVAHSA-N 0 3 320.811 3.049 20 30 DGEDHN CCN(CCNC(=O)/C=C\C(C)(C)C)Cc1cccc(C#N)c1 ZINC001492926285 1181740945 /nfs/dbraw/zinc/74/09/45/1181740945.db2.gz YCUHONMDFJKHHD-KTKRTIGZSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(C)CCC(=O)NCCN(CC)Cc1cc(F)ccc1C ZINC001492962686 1181749158 /nfs/dbraw/zinc/74/91/58/1181749158.db2.gz NNORXAFNIWPNOA-UHFFFAOYSA-N 0 3 306.425 3.429 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1c[nH]cc1-c1ccccc1 ZINC001448880442 1182217113 /nfs/dbraw/zinc/21/71/13/1182217113.db2.gz DESWPZMUKXAUET-UHFFFAOYSA-N 0 3 311.429 3.262 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1snc(Cl)c1Cl ZINC001448875969 1182217816 /nfs/dbraw/zinc/21/78/16/1182217816.db2.gz ZJNRLBDOTAIZPX-UHFFFAOYSA-N 0 3 322.261 3.030 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)C#Cc1ccccc1 ZINC001450360534 1182247399 /nfs/dbraw/zinc/24/73/99/1182247399.db2.gz RCMYWRQLNRQPDT-UHFFFAOYSA-N 0 3 307.397 3.094 20 30 DGEDHN C#C[C@@H](NC(=O)C1(N(C)C)CCCC1)c1ccc(Cl)cc1 ZINC001450851417 1182258855 /nfs/dbraw/zinc/25/88/55/1182258855.db2.gz QREFCKBNQZAWCA-OAHLLOKOSA-N 0 3 304.821 3.005 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001454407766 1182341522 /nfs/dbraw/zinc/34/15/22/1182341522.db2.gz RMXDCBDPEFTLFW-SJLPKXTDSA-N 0 3 300.446 3.370 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460181514 1182660183 /nfs/dbraw/zinc/66/01/83/1182660183.db2.gz SMILSFQOAZCYHY-GDBMZVCRSA-N 0 3 322.246 3.218 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@]1(C)C1CCCCC1 ZINC001460688929 1182707874 /nfs/dbraw/zinc/70/78/74/1182707874.db2.gz XRYCIRUHLRJZLT-MAUKXSAKSA-N 0 3 305.466 3.039 20 30 DGEDHN N#Cc1cccc(OCCCN2CCc3cc(O)ccc3C2)c1 ZINC001460982769 1182750792 /nfs/dbraw/zinc/75/07/92/1182750792.db2.gz ZKQORBWSBYDZAD-UHFFFAOYSA-N 0 3 308.381 3.091 20 30 DGEDHN C=CCCSCCNCc1cccc2c1OC(F)(F)O2 ZINC001461617699 1182834339 /nfs/dbraw/zinc/83/43/39/1182834339.db2.gz LTMRXCYYMUZMMI-UHFFFAOYSA-N 0 3 301.358 3.407 20 30 DGEDHN CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC001462406247 1182947630 /nfs/dbraw/zinc/94/76/30/1182947630.db2.gz RTRPWHIATDMOON-IIDMSEBBSA-N 0 3 318.461 3.347 20 30 DGEDHN O=C1[C@H]([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CCCN1[O-] ZINC001462405378 1182947834 /nfs/dbraw/zinc/94/78/34/1182947834.db2.gz QZVYPFQDLPDZPL-YESZJQIVSA-N 0 3 302.418 3.073 20 30 DGEDHN CCCCCCCS(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC001462768522 1182992732 /nfs/dbraw/zinc/99/27/32/1182992732.db2.gz QKDZSDRBSPIJIA-UHFFFAOYSA-N 0 3 318.527 3.141 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C/C=C\c1ccc(C)cc1 ZINC001467727926 1183284331 /nfs/dbraw/zinc/28/43/31/1183284331.db2.gz WUJBTKKIOJWJFM-FPLPWBNLSA-N 0 3 300.446 3.365 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1nc(C(C)C)c(C)s1 ZINC001467727488 1183284605 /nfs/dbraw/zinc/28/46/05/1183284605.db2.gz ISFBKYLMOVUTEW-UHFFFAOYSA-N 0 3 323.506 3.084 20 30 DGEDHN C=C1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001468021586 1183305736 /nfs/dbraw/zinc/30/57/36/1183305736.db2.gz XXPKGYPQIXAXIJ-GOSISDBHSA-N 0 3 315.461 3.213 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001468348862 1183327783 /nfs/dbraw/zinc/32/77/83/1183327783.db2.gz DEMBJTOZADQYPA-KRWDZBQOSA-N 0 3 317.477 3.499 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCCN1C ZINC001471508454 1183570373 /nfs/dbraw/zinc/57/03/73/1183570373.db2.gz DRISSZSBKMHKAS-MRXNPFEDSA-N 0 3 319.424 3.008 20 30 DGEDHN C#CCCCCCCN[C@@](C)(CC(=O)OC)c1ccccn1 ZINC001473397568 1183752704 /nfs/dbraw/zinc/75/27/04/1183752704.db2.gz LZJAKRDPCXFDCP-SFHVURJKSA-N 0 3 302.418 3.033 20 30 DGEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001473655635 1183787202 /nfs/dbraw/zinc/78/72/02/1183787202.db2.gz KAEMIACZLWMNLQ-LBPRGKRZSA-N 0 3 300.830 3.261 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001473878602 1183817215 /nfs/dbraw/zinc/81/72/15/1183817215.db2.gz ZYJIDTIMKPVMPG-MRXNPFEDSA-N 0 3 320.477 3.367 20 30 DGEDHN C[C@H](COc1ccc(F)cc1)NCc1ccc(C#N)cc1F ZINC001473992466 1183845285 /nfs/dbraw/zinc/84/52/85/1183845285.db2.gz BMZPJRKSIDYMRR-GFCCVEGCSA-N 0 3 302.324 3.394 20 30 DGEDHN C#CCOc1ccc(CNCC2=Cc3ccccc3OC2)cc1 ZINC001474151920 1183875029 /nfs/dbraw/zinc/87/50/29/1183875029.db2.gz YCUZKGUKAFDXDO-UHFFFAOYSA-N 0 3 305.377 3.264 20 30 DGEDHN C#Cc1cccc(CNCc2cn(C)nc2-c2ccc(C)o2)c1 ZINC001474178307 1183878734 /nfs/dbraw/zinc/87/87/34/1183878734.db2.gz FHTHGYNRIJSANK-UHFFFAOYSA-N 0 3 305.381 3.260 20 30 DGEDHN C=CCN(CC=C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001474400392 1183915983 /nfs/dbraw/zinc/91/59/83/1183915983.db2.gz QQMFALDLTSQUNK-GFCCVEGCSA-N 0 3 304.381 3.209 20 30 DGEDHN CSC(C)(C)CCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC001474672208 1183959936 /nfs/dbraw/zinc/95/99/36/1183959936.db2.gz RTBXJBAVGVUJRC-UHFFFAOYSA-N 0 3 321.465 3.351 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001478395177 1184148887 /nfs/dbraw/zinc/14/88/87/1184148887.db2.gz XIMRDIFUJDORDQ-RDJZCZTQSA-N 0 3 315.461 3.018 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H]1CCN1CCc1ccc(C)cc1 ZINC001479241135 1184214908 /nfs/dbraw/zinc/21/49/08/1184214908.db2.gz OGXPEJJMARTQOH-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1cccc(F)c1F ZINC001479273248 1184224330 /nfs/dbraw/zinc/22/43/30/1184224330.db2.gz FJHJXZFQOYFEEG-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001479293192 1184227950 /nfs/dbraw/zinc/22/79/50/1184227950.db2.gz OCVQJUNNEPEVNQ-OAGGEKHMSA-N 0 3 316.420 3.175 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001479293189 1184228256 /nfs/dbraw/zinc/22/82/56/1184228256.db2.gz OCVQJUNNEPEVNQ-HRCADAONSA-N 0 3 316.420 3.175 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001479425581 1184250796 /nfs/dbraw/zinc/25/07/96/1184250796.db2.gz QAJTVCXYMHFHQX-QKNQBKEWSA-N 0 3 324.468 3.196 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)[C@H]1C ZINC001479721113 1184302186 /nfs/dbraw/zinc/30/21/86/1184302186.db2.gz LSSCDFCMUTYLHI-NJAFHUGGSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCC[C@@H]3c3ccccc3)C2)C1 ZINC001479758400 1184314151 /nfs/dbraw/zinc/31/41/51/1184314151.db2.gz HFFZIDOBDCBDKA-MOPGFXCFSA-N 0 3 324.468 3.291 20 30 DGEDHN CC[C@@H](C)C(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001479883263 1184363752 /nfs/dbraw/zinc/36/37/52/1184363752.db2.gz FPLRMFBCUZOTKG-OAHLLOKOSA-N 0 3 313.445 3.027 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001479910622 1184377632 /nfs/dbraw/zinc/37/76/32/1184377632.db2.gz FITSQKVJAJCCIG-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001479911095 1184379256 /nfs/dbraw/zinc/37/92/56/1184379256.db2.gz DIOFAMCZAOHVRH-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H]1CCCN(CCCF)C1)c1ccccc1 ZINC001479913990 1184381267 /nfs/dbraw/zinc/38/12/67/1184381267.db2.gz AMEJGRRULIDWFY-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001479961225 1184392874 /nfs/dbraw/zinc/39/28/74/1184392874.db2.gz DHUZWFAWUQCQEE-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001479962719 1184395331 /nfs/dbraw/zinc/39/53/31/1184395331.db2.gz WSUGBXSTBDZNAI-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1scnc1C)C1CC1 ZINC001480045627 1184416919 /nfs/dbraw/zinc/41/69/19/1184416919.db2.gz ZAUGBZPCBUWOHW-YOEHRIQHSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001480099035 1184434257 /nfs/dbraw/zinc/43/42/57/1184434257.db2.gz RYBKPJICASQHIQ-OKZBNKHCSA-N 0 3 302.462 3.374 20 30 DGEDHN CCCCCC(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001480126742 1184441105 /nfs/dbraw/zinc/44/11/05/1184441105.db2.gz HTKFFVRDNGKXRJ-WKILWMFISA-N 0 3 317.408 3.014 20 30 DGEDHN CC1(CC(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001480136012 1184443148 /nfs/dbraw/zinc/44/31/48/1184443148.db2.gz FSFDWPTWEUUYIF-WGSAOQKQSA-N 0 3 324.468 3.245 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001480156279 1184447123 /nfs/dbraw/zinc/44/71/23/1184447123.db2.gz KJCWKPHMBYAVIO-CKEIUWERSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001480335706 1184497409 /nfs/dbraw/zinc/49/74/09/1184497409.db2.gz UOLZKXNUJSCRHU-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC[C@H](F)CC)cc1 ZINC001480357751 1184504125 /nfs/dbraw/zinc/50/41/25/1184504125.db2.gz YEZROVPSHGHGDS-QZTJIDSGSA-N 0 3 316.420 3.000 20 30 DGEDHN C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC[C@@H](F)CC)cc1 ZINC001480357752 1184504333 /nfs/dbraw/zinc/50/43/33/1184504333.db2.gz YEZROVPSHGHGDS-ROUUACIJSA-N 0 3 316.420 3.000 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCC(NCc2nc(C)cs2)CC1 ZINC001480406138 1184523364 /nfs/dbraw/zinc/52/33/64/1184523364.db2.gz URILABZZGQGPLV-UHFFFAOYSA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001480812237 1184615655 /nfs/dbraw/zinc/61/56/55/1184615655.db2.gz MVZUDMOYKYNEMR-NVPAJSRCSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001493160374 1184660415 /nfs/dbraw/zinc/66/04/15/1184660415.db2.gz HRVKSSMIKWDMMW-ZWKOTPCHSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001493160368 1184660751 /nfs/dbraw/zinc/66/07/51/1184660751.db2.gz HRVKSSMIKWDMMW-MSOLQXFVSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001493160372 1184661176 /nfs/dbraw/zinc/66/11/76/1184661176.db2.gz HRVKSSMIKWDMMW-ROUUACIJSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)CCC1 ZINC001493234099 1184671516 /nfs/dbraw/zinc/67/15/16/1184671516.db2.gz QJEKDBUJVLREPH-HNNXBMFYSA-N 0 3 318.486 3.433 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001493272039 1184679705 /nfs/dbraw/zinc/67/97/05/1184679705.db2.gz SUPHBTWQUGCEBC-IRXDYDNUSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)C1CCCCC1 ZINC001493323009 1184686948 /nfs/dbraw/zinc/68/69/48/1184686948.db2.gz ZDWYCEJULAERDQ-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2c(C)nsc2C)CCC1 ZINC001493684830 1184724872 /nfs/dbraw/zinc/72/48/72/1184724872.db2.gz MWZPNZYUKDAFTG-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN CCCCC1(C(=O)N(C)CCNCc2ccc(C#N)cc2)CC1 ZINC001493681443 1184725339 /nfs/dbraw/zinc/72/53/39/1184725339.db2.gz JEPMEBOTLYZJNB-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C[C@H](C)SC)c1ccccc1 ZINC001493890143 1184760128 /nfs/dbraw/zinc/76/01/28/1184760128.db2.gz RQDFPVOCGIFPSL-GOEBONIOSA-N 0 3 306.475 3.151 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H]1Cc2ccc(F)cc21)c1ccccc1 ZINC001493895051 1184761358 /nfs/dbraw/zinc/76/13/58/1184761358.db2.gz CIOBWRPNPAKRKK-OALUTQOASA-N 0 3 324.399 3.099 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001493948756 1184775132 /nfs/dbraw/zinc/77/51/32/1184775132.db2.gz RXZQFUPTCAMXGT-HXUWFJFHSA-N 0 3 324.468 3.221 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC001494263353 1184839975 /nfs/dbraw/zinc/83/99/75/1184839975.db2.gz LWLYOPAGFHRJPB-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001494330691 1184857132 /nfs/dbraw/zinc/85/71/32/1184857132.db2.gz AKQLFWRMMYDYSJ-KGLIPLIRSA-N 0 3 321.490 3.254 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCOC1 ZINC001494651166 1184899610 /nfs/dbraw/zinc/89/96/10/1184899610.db2.gz UPNCDLHPCCGXIZ-BZSNNMDCSA-N 0 3 322.493 3.059 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccoc1 ZINC001494650207 1184900604 /nfs/dbraw/zinc/90/06/04/1184900604.db2.gz MGWFPDRFDZUTDM-IRXDYDNUSA-N 0 3 304.434 3.078 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1F ZINC001494683314 1184905820 /nfs/dbraw/zinc/90/58/20/1184905820.db2.gz MVNVJPFIWAMGLJ-SNPRPXQTSA-N 0 3 320.383 3.218 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001494726258 1184914230 /nfs/dbraw/zinc/91/42/30/1184914230.db2.gz BMQGTFDPRMUXGX-MSOLQXFVSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCC1(C(=O)N(C)[C@H]2CCN(CC=C(C)C)C2)CCCCC1 ZINC001494875387 1184950296 /nfs/dbraw/zinc/95/02/96/1184950296.db2.gz HUOSJCKSYYOILA-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C/C=C(\C)C(=O)NC[C@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001494962491 1184971591 /nfs/dbraw/zinc/97/15/91/1184971591.db2.gz VLHWTAMKVSPXPF-MYRMFFISSA-N 0 3 318.848 3.142 20 30 DGEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)NCc1cc(C)ccc1F ZINC001494985708 1184976196 /nfs/dbraw/zinc/97/61/96/1184976196.db2.gz RLOXQPYPCXZPAO-MRXNPFEDSA-N 0 3 318.436 3.168 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001495339101 1185034569 /nfs/dbraw/zinc/03/45/69/1185034569.db2.gz DERMBNSHMZDUCF-HZPDHXFCSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001495343717 1185035177 /nfs/dbraw/zinc/03/51/77/1185035177.db2.gz DIQWZMXFXKRCQJ-HIFRSBDPSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCC=CCCC2)cc1 ZINC001495488778 1185063464 /nfs/dbraw/zinc/06/34/64/1185063464.db2.gz PDLGLYRJDHTUQC-LJQANCHMSA-N 0 3 310.441 3.162 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2(CCC)CCC2)cc1 ZINC001495492585 1185063583 /nfs/dbraw/zinc/06/35/83/1185063583.db2.gz VFIJMIXOKJTVQR-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C2CC3(CCC3)C2)CCCC1 ZINC001495937698 1185115049 /nfs/dbraw/zinc/11/50/49/1185115049.db2.gz SHLBXLUKZYKHKO-UHFFFAOYSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2conc2C)CCCC1 ZINC001495938904 1185115995 /nfs/dbraw/zinc/11/59/95/1185115995.db2.gz NEZYBXXXNCRLHU-HNNXBMFYSA-N 0 3 319.449 3.104 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C1CCCCC1 ZINC001495993100 1185123205 /nfs/dbraw/zinc/12/32/05/1185123205.db2.gz PWHNXDDSUNNUFD-CYBMUJFWSA-N 0 3 319.474 3.137 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CCCC1CC1 ZINC001496136894 1185138899 /nfs/dbraw/zinc/13/88/99/1185138899.db2.gz BINAIOFIPWMRPM-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN CCC(=O)N[C@@H](CNCC#Cc1ccc(Cl)cc1)CC(C)C ZINC001496250095 1185154191 /nfs/dbraw/zinc/15/41/91/1185154191.db2.gz RMJWDHGFCXBDBG-QGZVFWFLSA-N 0 3 320.864 3.222 20 30 DGEDHN C/C(=C/C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C)C1CC1 ZINC001496530438 1185209164 /nfs/dbraw/zinc/20/91/64/1185209164.db2.gz IKQSQIBVKWZHKC-PZSQYBTKSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccoc1Cl)C(C)C ZINC001496548342 1185211630 /nfs/dbraw/zinc/21/16/30/1185211630.db2.gz DRNHUDZHUQVXMW-LLVKDONJSA-N 0 3 305.205 3.030 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CC(C)(C)C1CC1)C(C)C ZINC001496551628 1185212830 /nfs/dbraw/zinc/21/28/30/1185212830.db2.gz KKUBKZORZREGHI-CQSZACIVSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(c2ccccc2)CC1)C(C)C ZINC001496634454 1185223980 /nfs/dbraw/zinc/22/39/80/1185223980.db2.gz BISUMHMVKBROCM-INIZCTEOSA-N 0 3 320.864 3.201 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001496671206 1185229801 /nfs/dbraw/zinc/22/98/01/1185229801.db2.gz FIDQIQBCEWCVGC-KRWDZBQOSA-N 0 3 304.409 3.169 20 30 DGEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)CC1CCCC1 ZINC001497131910 1185282058 /nfs/dbraw/zinc/28/20/58/1185282058.db2.gz KBDQAZBHTSVGMI-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNCc1cc(O)ccc1Cl ZINC001497240800 1185302151 /nfs/dbraw/zinc/30/21/51/1185302151.db2.gz INASENJCRCAKNB-GFCCVEGCSA-N 0 3 324.852 3.242 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2ccccc2n1C ZINC001497257790 1185305551 /nfs/dbraw/zinc/30/55/51/1185305551.db2.gz WNBPHQWWSCDGJI-ZDUSSCGKSA-N 0 3 319.836 3.029 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(c2cccc(C)c2)CC1 ZINC001497333394 1185316550 /nfs/dbraw/zinc/31/65/50/1185316550.db2.gz TWVCLBOGOYJKPR-HNNXBMFYSA-N 0 3 320.864 3.264 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001497463203 1185337207 /nfs/dbraw/zinc/33/72/07/1185337207.db2.gz AHRLTJZDATUKNC-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1csc(C)c1 ZINC001497683957 1185375147 /nfs/dbraw/zinc/37/51/47/1185375147.db2.gz AUVKIAUXKXSFOQ-SREVYHEPSA-N 0 3 306.475 3.421 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001655024499 1195866200 /nfs/dbraw/zinc/86/62/00/1195866200.db2.gz ICYOASXMCNHFQD-MNOVXSKESA-N 0 3 308.407 3.060 20 30 DGEDHN CC1=C(C)C[C@H](C(=O)N[C@@H](C)CNCC#Cc2ccccc2)CC1 ZINC001498049253 1185430098 /nfs/dbraw/zinc/43/00/98/1185430098.db2.gz KMBVSPOVVOPOLT-AZUAARDMSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2cc(C)ccc2F)CC1 ZINC001498107904 1185436405 /nfs/dbraw/zinc/43/64/05/1185436405.db2.gz BKSHBAUEJBUJDM-HNNXBMFYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001498374234 1185481310 /nfs/dbraw/zinc/48/13/10/1185481310.db2.gz DDUWRKRCDQMRNT-KXBFYZLASA-N 0 3 318.461 3.234 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2ccc(C)c(F)c2)C1 ZINC001498375755 1185481347 /nfs/dbraw/zinc/48/13/47/1185481347.db2.gz GSEKVZHFMIQDHQ-OAHLLOKOSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C[C@H](C(=O)N[C@H](C)CN(C)CC=C(C)C)c1ccccc1 ZINC001498458032 1185499648 /nfs/dbraw/zinc/49/96/48/1185499648.db2.gz QTJWNOVZSKOJLZ-AEFFLSMTSA-N 0 3 300.446 3.359 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1CNCc1ocnc1C ZINC001498479439 1185505408 /nfs/dbraw/zinc/50/54/08/1185505408.db2.gz FKSRMHCCEZRNNQ-CVEARBPZSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1csc(C(C)C)n1 ZINC001498629612 1185527110 /nfs/dbraw/zinc/52/71/10/1185527110.db2.gz SHPLURBUGOARIG-UHFFFAOYSA-N 0 3 315.870 3.071 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc(C2CC2)c1 ZINC001498656594 1185529484 /nfs/dbraw/zinc/52/94/84/1185529484.db2.gz ZUSTWWJGNZWXRL-UHFFFAOYSA-N 0 3 306.837 3.368 20 30 DGEDHN C=CCCC(=O)N[C@H](CN[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC001498736904 1185538012 /nfs/dbraw/zinc/53/80/12/1185538012.db2.gz UWGQJGCDGGWBAM-YVEFUNNKSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nocc2C)[C@@H](CC)C1 ZINC001498889542 1185564186 /nfs/dbraw/zinc/56/41/86/1185564186.db2.gz LKJKGOYRESHDJD-HOTGVXAUSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001498966855 1185582078 /nfs/dbraw/zinc/58/20/78/1185582078.db2.gz GGFDSUJTLCMENE-HKUYNNGSSA-N 0 3 310.441 3.058 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001498985054 1185585962 /nfs/dbraw/zinc/58/59/62/1185585962.db2.gz CJDYPNPJWWZKKH-GOSISDBHSA-N 0 3 317.477 3.473 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001499014860 1185592996 /nfs/dbraw/zinc/59/29/96/1185592996.db2.gz KVXLKCOTZKIKJX-DOTOQJQBSA-N 0 3 316.445 3.162 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001499055530 1185599960 /nfs/dbraw/zinc/59/99/60/1185599960.db2.gz GFOIYPPSGUSHPK-FUHWJXTLSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CC1(CC(=O)NC[C@H]2CCN2C[C@H](CC)OC)CCCCC1 ZINC001499081232 1185606912 /nfs/dbraw/zinc/60/69/12/1185606912.db2.gz WPNVSFRHNLVLPL-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1Cl ZINC001499100944 1185611736 /nfs/dbraw/zinc/61/17/36/1185611736.db2.gz BDZGKLVNAOIICV-CQSZACIVSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001499111733 1185613047 /nfs/dbraw/zinc/61/30/47/1185613047.db2.gz GXOSMYXKJQQTBK-SJLPKXTDSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@H]1CCN1CC1CC1)c1ccccc1 ZINC001499139653 1185619314 /nfs/dbraw/zinc/61/93/14/1185619314.db2.gz ZWIQBIGQCKHDSO-MOPGFXCFSA-N 0 3 312.457 3.337 20 30 DGEDHN C#CCCCC(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001499212177 1185626428 /nfs/dbraw/zinc/62/64/28/1185626428.db2.gz HIWGKOKJBGDFQV-UHFFFAOYSA-N 0 3 322.811 3.021 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001499481108 1185656502 /nfs/dbraw/zinc/65/65/02/1185656502.db2.gz MBFXSIWEFXMXQU-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001499604326 1185676243 /nfs/dbraw/zinc/67/62/43/1185676243.db2.gz TWFBOVACFFWXRL-CRAIPNDOSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001499897742 1185714138 /nfs/dbraw/zinc/71/41/38/1185714138.db2.gz SLFADAKTXRNRGV-LBPRGKRZSA-N 0 3 305.249 3.242 20 30 DGEDHN C#CCN(C(=O)CCc1ccccc1C)C1CCN(CC=C)CC1 ZINC001500047086 1185733815 /nfs/dbraw/zinc/73/38/15/1185733815.db2.gz IEMRLMDJFMTQKS-UHFFFAOYSA-N 0 3 324.468 3.040 20 30 DGEDHN C#CCNC[C@H](NC(=O)C1CCCC1)c1ccc2ccccc2c1 ZINC001500060405 1185736358 /nfs/dbraw/zinc/73/63/58/1185736358.db2.gz PCHHCNIAYBFPPF-FQEVSTJZSA-N 0 3 320.436 3.410 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001500213757 1185759369 /nfs/dbraw/zinc/75/93/69/1185759369.db2.gz YKZWRGKQIFMYPN-IBGZPJMESA-N 0 3 316.420 3.040 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001500511512 1185811250 /nfs/dbraw/zinc/81/12/50/1185811250.db2.gz DMQBMOJIPMPTOU-FTEYMNFISA-N 0 3 316.489 3.054 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2sccc2CC)C1 ZINC001500552639 1185822624 /nfs/dbraw/zinc/82/26/24/1185822624.db2.gz INPXEHFLITZJAE-GOSISDBHSA-N 0 3 318.486 3.166 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001500613501 1185826689 /nfs/dbraw/zinc/82/66/89/1185826689.db2.gz JCNDXGOZTCJTBO-KGLIPLIRSA-N 0 3 302.409 3.072 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001500613502 1185827171 /nfs/dbraw/zinc/82/71/71/1185827171.db2.gz JCNDXGOZTCJTBO-UONOGXRCSA-N 0 3 302.409 3.072 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2ncc(C)s2)C1 ZINC001501050484 1185861204 /nfs/dbraw/zinc/86/12/04/1185861204.db2.gz KJLDHLBKRBKAPM-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H](C)c2ccco2)C1 ZINC001501638703 1185914470 /nfs/dbraw/zinc/91/44/70/1185914470.db2.gz ZSZLXQLYMFDIGT-HIFRSBDPSA-N 0 3 324.852 3.354 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)C(C)C)cc1 ZINC001501681270 1185920840 /nfs/dbraw/zinc/92/08/40/1185920840.db2.gz FTJCRCZREJMJJQ-CVEARBPZSA-N 0 3 300.446 3.269 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)c2ccccc2)cc1 ZINC001501681609 1185921313 /nfs/dbraw/zinc/92/13/13/1185921313.db2.gz NFJCLKOMZGVYPV-SJORKVTESA-N 0 3 320.436 3.390 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)C2CCCC2)cc1 ZINC001501682061 1185921729 /nfs/dbraw/zinc/92/17/29/1185921729.db2.gz WVMJEYIQCQFYDT-JKSUJKDBSA-N 0 3 312.457 3.413 20 30 DGEDHN CC[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502108244 1185954368 /nfs/dbraw/zinc/95/43/68/1185954368.db2.gz ZZMDVNOPVZWCQL-MAUKXSAKSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)C#CC(=O)NCCCCCC1CCN(CCF)CC1 ZINC001502520349 1185990969 /nfs/dbraw/zinc/99/09/69/1185990969.db2.gz WIJSDRDRSQBZNL-UHFFFAOYSA-N 0 3 310.457 3.004 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H](C)OCC)cc2C1 ZINC001502646884 1185999723 /nfs/dbraw/zinc/99/97/23/1185999723.db2.gz BPPCTHOACRFHIP-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(Br)CN[C@@H](C)CCNC(=O)CC(C)(C)CC ZINC001503223335 1186042731 /nfs/dbraw/zinc/04/27/31/1186042731.db2.gz XWVMFNNFXVOFDE-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001505398453 1186066669 /nfs/dbraw/zinc/06/66/69/1186066669.db2.gz JAQIJHZGEUKXAW-AWEZNQCLSA-N 0 3 304.837 3.048 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(F)ccc1Cl ZINC001505446730 1186083100 /nfs/dbraw/zinc/08/31/00/1186083100.db2.gz RKLRFHSEDGLYIS-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1oc2ccccc2c1C ZINC001505459753 1186088267 /nfs/dbraw/zinc/08/82/67/1186088267.db2.gz XMMXPDVLXKNFKH-OAHLLOKOSA-N 0 3 312.413 3.464 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)C1=CCCCCC1 ZINC001505592053 1186109849 /nfs/dbraw/zinc/10/98/49/1186109849.db2.gz RCDJEYYJBLVZEE-QZTJIDSGSA-N 0 3 324.468 3.411 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1ccccc1F ZINC001505615282 1186113939 /nfs/dbraw/zinc/11/39/39/1186113939.db2.gz VHUNWBPWJYRMMC-ZIAGYGMSSA-N 0 3 306.425 3.411 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001505615037 1186114219 /nfs/dbraw/zinc/11/42/19/1186114219.db2.gz UFXWNSVQJBURRI-MNOVXSKESA-N 0 3 307.265 3.391 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001505670201 1186121268 /nfs/dbraw/zinc/12/12/68/1186121268.db2.gz BDOQCZHNDTVIOL-UONOGXRCSA-N 0 3 322.399 3.141 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2(CCF)CC2)CCCCC1 ZINC001506513415 1186238053 /nfs/dbraw/zinc/23/80/53/1186238053.db2.gz PQUWDKGFQMYMMI-UHFFFAOYSA-N 0 3 316.848 3.287 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001506577610 1186256376 /nfs/dbraw/zinc/25/63/76/1186256376.db2.gz AEETWDPFJWMHSA-HKUYNNGSSA-N 0 3 312.457 3.174 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC([C@@H](C)NC(=O)C#CC(C)C)C2)c1 ZINC001506611434 1186261455 /nfs/dbraw/zinc/26/14/55/1186261455.db2.gz MQSZBOFJOGSXGR-IAGOWNOFSA-N 0 3 312.457 3.152 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CN(CCc3cccs3)C2)C1 ZINC001506655151 1186269051 /nfs/dbraw/zinc/26/90/51/1186269051.db2.gz RFHQJYAXLREISI-AWEZNQCLSA-N 0 3 318.486 3.083 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C(C)(C)C1 ZINC001506750648 1186287734 /nfs/dbraw/zinc/28/77/34/1186287734.db2.gz OABJWZVKEIMVBD-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001507309112 1186386405 /nfs/dbraw/zinc/38/64/05/1186386405.db2.gz GQNYVEXFSXIJHH-HIFRSBDPSA-N 0 3 306.475 3.429 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H]1C ZINC001507383376 1186412358 /nfs/dbraw/zinc/41/23/58/1186412358.db2.gz IZQCCECQVZAVET-NWDGAFQWSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC001507855704 1186450154 /nfs/dbraw/zinc/45/01/54/1186450154.db2.gz SKSPSEVZGLBVEC-ROUUACIJSA-N 0 3 324.509 3.183 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)CC(C)(C)C2CC2)CC1 ZINC001508078350 1186477853 /nfs/dbraw/zinc/47/78/53/1186477853.db2.gz ZECJVRGVMGYXPX-HNNXBMFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCC(=O)NCC1=CCN(CCc2ccccc2F)CC1 ZINC001508194467 1186488385 /nfs/dbraw/zinc/48/83/85/1186488385.db2.gz OOKKRXFJIOGZOB-UHFFFAOYSA-N 0 3 316.420 3.083 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001611231588 1193427801 /nfs/dbraw/zinc/42/78/01/1193427801.db2.gz RMWQKVSJOSIANA-AEFFLSMTSA-N 0 3 316.445 3.301 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)c1 ZINC001514948465 1186738298 /nfs/dbraw/zinc/73/82/98/1186738298.db2.gz TYOMRWGXQZPHMK-DOTOQJQBSA-N 0 3 310.397 3.067 20 30 DGEDHN N#CC(C(=O)[C@H]1CCSC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517121129 1186802802 /nfs/dbraw/zinc/80/28/02/1186802802.db2.gz CVVKTAKQLQHMRM-IUCAKERBSA-N 0 3 305.790 3.146 20 30 DGEDHN CCN1CCN(c2cccc(Nc3cc(C#N)cc(C)n3)c2)CC1 ZINC001612282735 1193449644 /nfs/dbraw/zinc/44/96/44/1193449644.db2.gz UVVPQMYSPNJSKZ-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(Cl)c(F)c1 ZINC001520035385 1186911725 /nfs/dbraw/zinc/91/17/25/1186911725.db2.gz BIKZJUZJKPPQCS-NSHDSACASA-N 0 3 305.740 3.114 20 30 DGEDHN CCC[C@@H]1C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001520449887 1186945283 /nfs/dbraw/zinc/94/52/83/1186945283.db2.gz WTMDCXJNZFZQEZ-RTXFEEFZSA-N 0 3 308.328 3.131 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC001521216912 1187004976 /nfs/dbraw/zinc/00/49/76/1187004976.db2.gz LKEHRCVLEXYHLW-ZDUSSCGKSA-N 0 3 316.323 3.250 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cc3c(o2)CCCC3)c1 ZINC001524030031 1187210165 /nfs/dbraw/zinc/21/01/65/1187210165.db2.gz WDINPSAPJZNNOX-HNNXBMFYSA-N 0 3 322.364 3.428 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2F)cc1 ZINC001524036937 1187211089 /nfs/dbraw/zinc/21/10/89/1187211089.db2.gz GGKAVYFVPXNWLO-RBSFLKMASA-N 0 3 302.349 3.035 20 30 DGEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccc(F)n1 ZINC001524728197 1187264205 /nfs/dbraw/zinc/26/42/05/1187264205.db2.gz XILYVVPKQJLIGG-GFCCVEGCSA-N 0 3 324.290 3.240 20 30 DGEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccc(F)n1 ZINC001524728198 1187264395 /nfs/dbraw/zinc/26/43/95/1187264395.db2.gz XILYVVPKQJLIGG-LBPRGKRZSA-N 0 3 324.290 3.240 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN1C(C)C ZINC001526446814 1187367217 /nfs/dbraw/zinc/36/72/17/1187367217.db2.gz OBEBKNYGCUDDKC-QGZVFWFLSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001537278796 1188063520 /nfs/dbraw/zinc/06/35/20/1188063520.db2.gz RKCNVNLIWXOJNQ-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)[C@H]1CC ZINC001656741407 1196067598 /nfs/dbraw/zinc/06/75/98/1196067598.db2.gz NSBGPVIOLXNMLM-IXDOHACOSA-N 0 3 306.494 3.441 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](C)c2ccco2)CC1 ZINC001566699911 1188951299 /nfs/dbraw/zinc/95/12/99/1188951299.db2.gz OEPJJPFIGXAIDW-HNNXBMFYSA-N 0 3 304.434 3.272 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC001556466157 1189001983 /nfs/dbraw/zinc/00/19/83/1189001983.db2.gz LDPYFFDSMKNOCT-CQSZACIVSA-N 0 3 324.852 3.074 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CCC(F)F ZINC001565939754 1189138217 /nfs/dbraw/zinc/13/82/17/1189138217.db2.gz UVQDRKFITRJZPX-AAEUAGOBSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)CCC(F)F ZINC001565939755 1189138620 /nfs/dbraw/zinc/13/86/20/1189138620.db2.gz UVQDRKFITRJZPX-DGCLKSJQSA-N 0 3 322.827 3.391 20 30 DGEDHN COCC#CCN1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC001560061877 1189274128 /nfs/dbraw/zinc/27/41/28/1189274128.db2.gz WFEIQBHDXDSAII-ZFWWWQNUSA-N 0 3 322.246 3.277 20 30 DGEDHN COC(=O)[C@]12CCC[C@H]1N(CC#Cc1ccc(Cl)cc1)CC2 ZINC001560125913 1189282170 /nfs/dbraw/zinc/28/21/70/1189282170.db2.gz RPPOBAXTQNDWDA-AEFFLSMTSA-N 0 3 317.816 3.109 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCC[C@]12CCCOC2 ZINC001560238652 1189297001 /nfs/dbraw/zinc/29/70/01/1189297001.db2.gz UINKWGXYNUMVIP-GOSISDBHSA-N 0 3 300.402 3.102 20 30 DGEDHN C=C(CNCc1cn(C)nc1C1CCOCC1)c1ccccc1 ZINC001560314681 1189310314 /nfs/dbraw/zinc/31/03/14/1189310314.db2.gz KLPOCQPPGMNBCJ-UHFFFAOYSA-N 0 3 311.429 3.117 20 30 DGEDHN C=CC[C@H](C)NCc1ccc(OC)c(O)c1Br ZINC001560337236 1189312953 /nfs/dbraw/zinc/31/29/53/1189312953.db2.gz YLFXKGQTYANCQD-VIFPVBQESA-N 0 3 300.196 3.218 20 30 DGEDHN C#Cc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC001560478071 1189332566 /nfs/dbraw/zinc/33/25/66/1189332566.db2.gz IEIRKGUEDNTBNL-UHFFFAOYSA-N 0 3 305.356 3.487 20 30 DGEDHN C#Cc1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC001563368506 1189510118 /nfs/dbraw/zinc/51/01/18/1189510118.db2.gz SZRFBIUIRRUAHW-INIZCTEOSA-N 0 3 321.424 3.310 20 30 DGEDHN C=CCCCN(CC)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001563634128 1189525150 /nfs/dbraw/zinc/52/51/50/1189525150.db2.gz NHIFRUGDCYKCDL-SFHVURJKSA-N 0 3 317.477 3.157 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001565819949 1189675659 /nfs/dbraw/zinc/67/56/59/1189675659.db2.gz VRAUKAUMJYWPEH-QGZVFWFLSA-N 0 3 313.445 3.072 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001565824265 1189676837 /nfs/dbraw/zinc/67/68/37/1189676837.db2.gz GMIVYIPKDNGVKT-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001565882549 1189699675 /nfs/dbraw/zinc/69/96/75/1189699675.db2.gz BXXMNOPXJPXGQN-RBUKOAKNSA-N 0 3 312.457 3.359 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC3CCCC3)C(C)(C)[C@H]21 ZINC001565992937 1189710078 /nfs/dbraw/zinc/71/00/78/1189710078.db2.gz NEEUKGMDDNCIES-QRQLOZEOSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(C[C@H](F)CC)C[C@H]2C1 ZINC001566045420 1189721385 /nfs/dbraw/zinc/72/13/85/1189721385.db2.gz XRBDRFORHSYIPZ-FGTMMUONSA-N 0 3 322.468 3.283 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC(F)(F)F ZINC001566526430 1189791824 /nfs/dbraw/zinc/79/18/24/1189791824.db2.gz SXECDGYJMOAWPI-GHMZBOCLSA-N 0 3 312.763 3.051 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCc2ccc(CC)cc2)C1 ZINC001566671097 1189851792 /nfs/dbraw/zinc/85/17/92/1189851792.db2.gz NCMFXLNJLJMYOT-GOSISDBHSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001566675305 1189854758 /nfs/dbraw/zinc/85/47/58/1189854758.db2.gz UCCKLRFFZXPFKS-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN CCCCCC(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001566783058 1189901207 /nfs/dbraw/zinc/90/12/07/1189901207.db2.gz USHSHDVZIYSSMP-WKILWMFISA-N 0 3 317.408 3.014 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001566820293 1189914022 /nfs/dbraw/zinc/91/40/22/1189914022.db2.gz LWWSLZAKBXFSOZ-AIDKRLSNSA-N 0 3 310.869 3.453 20 30 DGEDHN CCCCCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001566861535 1189926592 /nfs/dbraw/zinc/92/65/92/1189926592.db2.gz RMOYDLNTLZNYAA-KDURUIRLSA-N 0 3 312.457 3.245 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001566862980 1189927598 /nfs/dbraw/zinc/92/75/98/1189927598.db2.gz PSYVODIFQUGWHH-BHYGNILZSA-N 0 3 318.848 3.336 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001566877317 1189935734 /nfs/dbraw/zinc/93/57/34/1189935734.db2.gz VDTGCBGMTCVGNE-QFBILLFUSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1ccc(CC)cc1 ZINC001566929679 1189957639 /nfs/dbraw/zinc/95/76/39/1189957639.db2.gz GUAMWORLHYYWPU-LJQANCHMSA-N 0 3 314.473 3.338 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001566930533 1189959986 /nfs/dbraw/zinc/95/99/86/1189959986.db2.gz ZFSJNGWFIIKMKV-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C2CCC2)C1 ZINC001566963481 1189973238 /nfs/dbraw/zinc/97/32/38/1189973238.db2.gz VFTFMZYTPZMAMF-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1CCC(NCc2nccs2)CC1 ZINC001566987420 1189982542 /nfs/dbraw/zinc/98/25/42/1189982542.db2.gz FQBSDHYTQVXBCA-KVULBXGLSA-N 0 3 321.490 3.262 20 30 DGEDHN CCC[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001567002312 1189990464 /nfs/dbraw/zinc/99/04/64/1189990464.db2.gz QEJVSJSMVNIHTK-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001567220498 1190076975 /nfs/dbraw/zinc/07/69/75/1190076975.db2.gz ZUSGHAXXIMGXAO-FPMFFAJLSA-N 0 3 312.866 3.089 20 30 DGEDHN C=CCCC(=O)NCCN(C)CCc1ccc2ccccc2c1 ZINC001567274304 1190105190 /nfs/dbraw/zinc/10/51/90/1190105190.db2.gz YHXYWYNCTOPCBH-UHFFFAOYSA-N 0 3 310.441 3.397 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccc(CC(C)C)cc1 ZINC001567279707 1190110408 /nfs/dbraw/zinc/11/04/08/1190110408.db2.gz GRPMWZZTLUXELO-UHFFFAOYSA-N 0 3 314.473 3.093 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@H](C)c2cccc(C)c2)C1 ZINC001567302435 1190119446 /nfs/dbraw/zinc/11/94/46/1190119446.db2.gz BUABXLGVPLREJY-MRXNPFEDSA-N 0 3 300.446 3.460 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)CCc2cccs2)CCC1 ZINC001567302832 1190119897 /nfs/dbraw/zinc/11/98/97/1190119897.db2.gz QIPRUUAICVJKMF-UHFFFAOYSA-N 0 3 306.475 3.085 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc(C(F)F)ccc1F ZINC001567333194 1190135637 /nfs/dbraw/zinc/13/56/37/1190135637.db2.gz LXQDLLWKRRQXOC-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001567371488 1190157667 /nfs/dbraw/zinc/15/76/67/1190157667.db2.gz JYOJXRQFCGJHRB-KGLIPLIRSA-N 0 3 322.399 3.225 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001567431978 1190189288 /nfs/dbraw/zinc/18/92/88/1190189288.db2.gz YLNSQOKZZCFCKY-UHFFFAOYSA-N 0 3 314.473 3.124 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1nc2ccccc2cc1C)C1CC1 ZINC001567446029 1190197610 /nfs/dbraw/zinc/19/76/10/1190197610.db2.gz GKOGJPRZBZTZSN-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2cc(C)cc(C)c2)CC1)C1CC1 ZINC001567454357 1190201606 /nfs/dbraw/zinc/20/16/06/1190201606.db2.gz QDRUMSZQNNEKMB-UHFFFAOYSA-N 0 3 312.457 3.102 20 30 DGEDHN C=CCCC(=O)N(C)CCNCc1ccc(C(C)C)nc1C ZINC001567473346 1190206630 /nfs/dbraw/zinc/20/66/30/1190206630.db2.gz VTBMJTVEWNQINU-UHFFFAOYSA-N 0 3 303.450 3.028 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1CC(C)(C)C1)c1ccccc1 ZINC001567658165 1190239973 /nfs/dbraw/zinc/23/99/73/1190239973.db2.gz ZBWFMAMOAKHTLB-KRWDZBQOSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1c(C)cccc1C)c1ccccc1 ZINC001567663357 1190242158 /nfs/dbraw/zinc/24/21/58/1190242158.db2.gz HQTVFHLLTXPSTF-LJQANCHMSA-N 0 3 320.436 3.387 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001567683684 1190251790 /nfs/dbraw/zinc/25/17/90/1190251790.db2.gz YXUJFLUBJDHFRR-OKZBNKHCSA-N 0 3 318.505 3.395 20 30 DGEDHN CCCCC(=O)NCC[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001567691020 1190256004 /nfs/dbraw/zinc/25/60/04/1190256004.db2.gz IFPHCEKQXGVUJB-INIZCTEOSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001567769579 1190293794 /nfs/dbraw/zinc/29/37/94/1190293794.db2.gz IRJKSTSOLJJRLG-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001567778069 1190296131 /nfs/dbraw/zinc/29/61/31/1190296131.db2.gz NZEFNTHSTVKRMU-MJGOQNOKSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CC[C@H](C(=O)NCC1CN(CC[C@@H](C)F)C1)c1ccccc1 ZINC001567848907 1190320433 /nfs/dbraw/zinc/32/04/33/1190320433.db2.gz NROQYRZBIHJKNJ-QAPCUYQASA-N 0 3 318.436 3.142 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC(F)(F)C1 ZINC001567857229 1190322515 /nfs/dbraw/zinc/32/25/15/1190322515.db2.gz XCAIVNFGDGXVSA-ILXRZTDVSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001567895720 1190338327 /nfs/dbraw/zinc/33/83/27/1190338327.db2.gz JFJFOMLSXSYPDP-GOSISDBHSA-N 0 3 323.440 3.282 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001567928340 1190359616 /nfs/dbraw/zinc/35/96/16/1190359616.db2.gz HAMVSPIZZJVKCB-MSOLQXFVSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2cncs2)CCCC[C@H]1C ZINC001568037549 1190405983 /nfs/dbraw/zinc/40/59/83/1190405983.db2.gz ZLMGVMPCJKGAML-PBHICJAKSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2conc2C)CCCC[C@H]1C ZINC001568037061 1190406308 /nfs/dbraw/zinc/40/63/08/1190406308.db2.gz USGIGZDFKLXCFS-KDOFPFPSSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)C(CC)CC)cc1 ZINC001568118857 1190426435 /nfs/dbraw/zinc/42/64/35/1190426435.db2.gz HQMYIPRBHHJTSP-OAHLLOKOSA-N 0 3 300.446 3.098 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNCc1nc(C)sc1C ZINC001568190280 1190447225 /nfs/dbraw/zinc/44/72/25/1190447225.db2.gz GJZOBOGGUWFLKD-SJCJKPOMSA-N 0 3 323.506 3.204 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CCCC12CC2 ZINC001568280735 1190471295 /nfs/dbraw/zinc/47/12/95/1190471295.db2.gz BWCGMKKBJOHGCM-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001568302965 1190479588 /nfs/dbraw/zinc/47/95/88/1190479588.db2.gz HEEOJSNIZSHVDB-ZDUSSCGKSA-N 0 3 319.474 3.159 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c(C)oc(C)c1C)C(C)C ZINC001568456860 1190527829 /nfs/dbraw/zinc/52/78/29/1190527829.db2.gz ZMPNAKAOBGARSQ-AWEZNQCLSA-N 0 3 312.841 3.301 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)c1ccccc1)C(C)C ZINC001568466933 1190531197 /nfs/dbraw/zinc/53/11/97/1190531197.db2.gz JPJTWQYYCBCITA-HOCLYGCPSA-N 0 3 308.853 3.273 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001568487883 1190542502 /nfs/dbraw/zinc/54/25/02/1190542502.db2.gz PKVOUCTYBXKRNX-UHFFFAOYSA-N 0 3 314.454 3.237 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)[C@H](CC)CC1CCCCC1 ZINC001568497413 1190549094 /nfs/dbraw/zinc/54/90/94/1190549094.db2.gz CYDKHRAYCOFUFN-GOSISDBHSA-N 0 3 306.494 3.397 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001568506127 1190552485 /nfs/dbraw/zinc/55/24/85/1190552485.db2.gz DTOHGDJRODFLQD-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCN3CCF)C2)CCCCC1 ZINC001568515669 1190556681 /nfs/dbraw/zinc/55/66/81/1190556681.db2.gz NPXUEXWNLFOGHU-DLBZAZTESA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCN3CCF)C2)CCCCC1 ZINC001568515670 1190556772 /nfs/dbraw/zinc/55/67/72/1190556772.db2.gz NPXUEXWNLFOGHU-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001568551378 1190564738 /nfs/dbraw/zinc/56/47/38/1190564738.db2.gz AWZLSZYKVDVZNY-UHFFFAOYSA-N 0 3 320.481 3.133 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001568642778 1190572840 /nfs/dbraw/zinc/57/28/40/1190572840.db2.gz TXHCHXNKTULUKV-HNNXBMFYSA-N 0 3 320.864 3.246 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(F)ccc1CC ZINC001568652588 1190573587 /nfs/dbraw/zinc/57/35/87/1190573587.db2.gz OFPPBOHZKJOZDW-GFCCVEGCSA-N 0 3 312.816 3.239 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2c(s1)CCC2 ZINC001568706190 1190580374 /nfs/dbraw/zinc/58/03/74/1190580374.db2.gz ODDHRDWUEVUKLQ-LLVKDONJSA-N 0 3 312.866 3.087 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1csc2cc(C)ccc12 ZINC001568745457 1190584909 /nfs/dbraw/zinc/58/49/09/1190584909.db2.gz UQIFLVZIISJOID-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN C#CCNC/C=C\CNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC001568929377 1190601035 /nfs/dbraw/zinc/60/10/35/1190601035.db2.gz ZDTIVOMKBQLMRB-GIFJBRJJSA-N 0 3 304.478 3.124 20 30 DGEDHN C=CC1(CC(=O)N[C@H](C)CNCc2ccccn2)CCCCC1 ZINC001569024785 1190609825 /nfs/dbraw/zinc/60/98/25/1190609825.db2.gz WFQTVSUKMLHQBZ-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001569027780 1190610162 /nfs/dbraw/zinc/61/01/62/1190610162.db2.gz UPYAGEHHHMMVHY-CXAGYDPISA-N 0 3 321.490 3.430 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001569048176 1190613328 /nfs/dbraw/zinc/61/33/28/1190613328.db2.gz JVOJEHWNLIZFMD-HOTGVXAUSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)cc(OC)c1C ZINC001569220103 1190654196 /nfs/dbraw/zinc/65/41/96/1190654196.db2.gz WYYISNRHRRBXED-UHFFFAOYSA-N 0 3 324.852 3.116 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1scnc1C(C)C ZINC001569247171 1190657012 /nfs/dbraw/zinc/65/70/12/1190657012.db2.gz GIGPYOYRSQRYHS-UHFFFAOYSA-N 0 3 315.870 3.071 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN1CCCc1ccccc1C ZINC001569350942 1190672905 /nfs/dbraw/zinc/67/29/05/1190672905.db2.gz SWYQKFSBKZJCEP-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001569359929 1190674738 /nfs/dbraw/zinc/67/47/38/1190674738.db2.gz OPWVAWLMKVOPEW-ZFWWWQNUSA-N 0 3 304.409 3.293 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001569366552 1190679122 /nfs/dbraw/zinc/67/91/22/1190679122.db2.gz RMQRPJPDTKDABX-QGZVFWFLSA-N 0 3 317.477 3.473 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001569371170 1190680192 /nfs/dbraw/zinc/68/01/92/1190680192.db2.gz SOKFPFFKCOTTDN-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC[C@H](C)c1ccccc1 ZINC001569376742 1190682929 /nfs/dbraw/zinc/68/29/29/1190682929.db2.gz NPCHZVBEMVXKQP-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccccc3CC)CC2)C1 ZINC001569416543 1190693865 /nfs/dbraw/zinc/69/38/65/1190693865.db2.gz ALOPLLPOHMHHDD-UHFFFAOYSA-N 0 3 312.457 3.344 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccc(F)cc2)CC1 ZINC001569419282 1190694639 /nfs/dbraw/zinc/69/46/39/1190694639.db2.gz AHODRLLGJWGNIM-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](CC)CC2CCCCC2)CC1 ZINC001569421121 1190695044 /nfs/dbraw/zinc/69/50/44/1190695044.db2.gz MCNKOWJMQMXLAP-QGZVFWFLSA-N 0 3 304.478 3.245 20 30 DGEDHN C#CCCCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001569571441 1190718789 /nfs/dbraw/zinc/71/87/89/1190718789.db2.gz ZTVHMKIBBZKUQJ-UHFFFAOYSA-N 0 3 304.459 3.022 20 30 DGEDHN CC#CCCCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001569575657 1190719262 /nfs/dbraw/zinc/71/92/62/1190719262.db2.gz ZRIYZNLBKWRESX-UHFFFAOYSA-N 0 3 318.383 3.103 20 30 DGEDHN C#CCN(C(=O)C=C(CC)CC)C1CCN(CC(=C)C)CC1 ZINC001569586422 1190720300 /nfs/dbraw/zinc/72/03/00/1190720300.db2.gz IJROSEQMLFOOMJ-UHFFFAOYSA-N 0 3 302.462 3.235 20 30 DGEDHN C#CCNC[C@@H](NC(=O)[C@H]1CC12CC2)c1ccc2ccccc2c1 ZINC001569597509 1190720898 /nfs/dbraw/zinc/72/08/98/1190720898.db2.gz GQAMAYLPNHTLHN-RTBURBONSA-N 0 3 318.420 3.020 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)C1CCN(CC=C)CC1 ZINC001569595050 1190720933 /nfs/dbraw/zinc/72/09/33/1190720933.db2.gz BJSDNZZTPKGXAK-PKOBYXMFSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](CC)CCCC)C1 ZINC001569710325 1190745840 /nfs/dbraw/zinc/74/58/40/1190745840.db2.gz REGKVKNYLRESTA-PKOBYXMFSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](CC)CC(F)F)C1 ZINC001569715744 1190747288 /nfs/dbraw/zinc/74/72/88/1190747288.db2.gz QFVOEELOPFZBOW-CJNGLKHVSA-N 0 3 302.409 3.072 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@H](C)CC)C2)CC1 ZINC001569800372 1190755640 /nfs/dbraw/zinc/75/56/40/1190755640.db2.gz QABBZIJVLRCARM-AEFFLSMTSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CCCC3CC3)C2)CC1 ZINC001569800694 1190755717 /nfs/dbraw/zinc/75/57/17/1190755717.db2.gz UCLXITXYDCTQJU-IBGZPJMESA-N 0 3 316.489 3.151 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001569811008 1190758164 /nfs/dbraw/zinc/75/81/64/1190758164.db2.gz LICVSVMLMSCOGJ-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](CNCc2c(F)cccc2F)C1 ZINC001569832812 1190761208 /nfs/dbraw/zinc/76/12/08/1190761208.db2.gz URSGNZNDZLOBII-KGLIPLIRSA-N 0 3 322.399 3.115 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001569992346 1190779986 /nfs/dbraw/zinc/77/99/86/1190779986.db2.gz ADSBAPDULREETC-LUKYLMHMSA-N 0 3 324.896 3.393 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CCNCc2ncc(C)s2)C1 ZINC001569998711 1190780220 /nfs/dbraw/zinc/78/02/20/1190780220.db2.gz SANWZDVNVXCQFS-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)[C@@H](C)CC ZINC001570028437 1190783462 /nfs/dbraw/zinc/78/34/62/1190783462.db2.gz VOEFKSPRAGEREN-DLBZAZTESA-N 0 3 314.473 3.440 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CC3(C=C)CCCCC3)C2)CC1 ZINC001570056125 1190789417 /nfs/dbraw/zinc/78/94/17/1190789417.db2.gz DYNXGQNCKOEHGN-UHFFFAOYSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC1 ZINC001570121141 1190799789 /nfs/dbraw/zinc/79/97/89/1190799789.db2.gz QGQPSOGONOCGAD-CVEARBPZSA-N 0 3 304.478 3.101 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](C)c2cccc(Cl)c2)CCC1 ZINC001570126581 1190801678 /nfs/dbraw/zinc/80/16/78/1190801678.db2.gz VPMRGNUPCQRWDA-CQSZACIVSA-N 0 3 318.848 3.095 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)CCCF ZINC001570269660 1190833128 /nfs/dbraw/zinc/83/31/28/1190833128.db2.gz ZHWDCIXRQAOYHD-SFHVURJKSA-N 0 3 318.436 3.245 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)CC(C)C)C2 ZINC001570275221 1190835163 /nfs/dbraw/zinc/83/51/63/1190835163.db2.gz SCUMGSBFSLTAMQ-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CC(C)C)C2 ZINC001570274543 1190835245 /nfs/dbraw/zinc/83/52/45/1190835245.db2.gz FWZZJYKOAKYERQ-IBGZPJMESA-N 0 3 304.478 3.006 20 30 DGEDHN C[C@H]1CN(C(=O)C2CCCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001570329827 1190839294 /nfs/dbraw/zinc/83/92/94/1190839294.db2.gz IPGCESFMRMHTQP-FXAWDEMLSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC(C)(NCc2ocnc2C)CC1 ZINC001570373856 1190846137 /nfs/dbraw/zinc/84/61/37/1190846137.db2.gz BPQYGOKVPQVAMR-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C(C)(C)C1 ZINC001570397521 1190852211 /nfs/dbraw/zinc/85/22/11/1190852211.db2.gz JWCDVCLIPKNRNM-SJORKVTESA-N 0 3 322.493 3.127 20 30 DGEDHN Cc1cc(CN2CC[C@@H](NC(=O)C#CC(C)C)C[C@H]2C)cs1 ZINC001570434866 1190857788 /nfs/dbraw/zinc/85/77/88/1190857788.db2.gz PGOCTTRLUSUKHG-RHSMWYFYSA-N 0 3 318.486 3.185 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001570437669 1190858404 /nfs/dbraw/zinc/85/84/04/1190858404.db2.gz QDGAQEUUZUBSPD-ZFWWWQNUSA-N 0 3 321.490 3.277 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnc2ccccc2c1C ZINC001570535546 1190878737 /nfs/dbraw/zinc/87/87/37/1190878737.db2.gz AQTJXVJBGRXZDG-INIZCTEOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2c(cccc2C)o1 ZINC001570549453 1190886833 /nfs/dbraw/zinc/88/68/33/1190886833.db2.gz YCUKPXPCHLAHNW-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3[nH]ccc32)C1 ZINC001570573123 1190889750 /nfs/dbraw/zinc/88/97/50/1190889750.db2.gz ISKBUWVANWUCOR-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001570731119 1190934993 /nfs/dbraw/zinc/93/49/93/1190934993.db2.gz BWCQPEYPBWUYJM-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCCCC1 ZINC001570794483 1190950586 /nfs/dbraw/zinc/95/05/86/1190950586.db2.gz HPZNMBBSOMSKMC-FICVDOATSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@H]2C(C)C)CCCCC1 ZINC001570804857 1190952444 /nfs/dbraw/zinc/95/24/44/1190952444.db2.gz ZLBVEBATMCBVGF-GJZGRUSLSA-N 0 3 312.885 3.440 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001570828136 1190960665 /nfs/dbraw/zinc/96/06/65/1190960665.db2.gz FTJKZYHHKXNNIK-GOSISDBHSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001570863497 1190968346 /nfs/dbraw/zinc/96/83/46/1190968346.db2.gz GKZFQDVFHXNHBS-RDTXWAMCSA-N 0 3 318.436 3.332 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](CC)CCCC)C(C)(C)C1 ZINC001570899967 1190972327 /nfs/dbraw/zinc/97/23/27/1190972327.db2.gz WXUSARGTKCZHTD-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C[C@@H](CCCNCc1ccc(C#N)cc1F)NC(=O)C(C)(C)C ZINC001571322363 1190991954 /nfs/dbraw/zinc/99/19/54/1190991954.db2.gz OMYSEBZRRBXHHK-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(F)cc(F)c1 ZINC001571325240 1190992558 /nfs/dbraw/zinc/99/25/58/1190992558.db2.gz WWCINBPNSPSSAZ-LLVKDONJSA-N 0 3 316.779 3.205 20 30 DGEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1 ZINC001571328317 1190993041 /nfs/dbraw/zinc/99/30/41/1190993041.db2.gz PEKJMTFVOHBRIC-UHFFFAOYSA-N 0 3 324.468 3.151 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001571402863 1191015113 /nfs/dbraw/zinc/01/51/13/1191015113.db2.gz FTZACQVZWDILJB-GFCCVEGCSA-N 0 3 309.479 3.053 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@H](c1ccccc1)C(C)C ZINC001571412947 1191018753 /nfs/dbraw/zinc/01/87/53/1191018753.db2.gz JPGNTWLZXFTPQC-MJGOQNOKSA-N 0 3 314.473 3.276 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccccc2F)[C@@H]1C ZINC001571526009 1191043932 /nfs/dbraw/zinc/04/39/32/1191043932.db2.gz ZQQQQSHFPHBYEU-MAUKXSAKSA-N 0 3 318.436 3.304 20 30 DGEDHN CC(C)N(CCN(C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@@H](C)C#N ZINC001571610119 1191056632 /nfs/dbraw/zinc/05/66/32/1191056632.db2.gz GWFQPMXUGCVSDR-GJZGRUSLSA-N 0 3 319.424 3.215 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CCC[C@@H](OC)C1)C(C)C ZINC001571612347 1191057559 /nfs/dbraw/zinc/05/75/59/1191057559.db2.gz HLEPPNQGVIMQPV-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(F)c(F)cc1F)C(C)C ZINC001571614605 1191059728 /nfs/dbraw/zinc/05/97/28/1191059728.db2.gz MVWLMGFLAYNUOU-UHFFFAOYSA-N 0 3 314.351 3.072 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(Cl)c1)C(C)C ZINC001571616219 1191063442 /nfs/dbraw/zinc/06/34/42/1191063442.db2.gz VDARUCXJMZCOBG-UHFFFAOYSA-N 0 3 306.837 3.146 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C=C)c1ccccc1)C(C)C ZINC001571617122 1191063591 /nfs/dbraw/zinc/06/35/91/1191063591.db2.gz VNDXAKOLWZGVSJ-LJQANCHMSA-N 0 3 312.457 3.148 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1ccc(Cl)nc1)C(C)(C)C ZINC001571620163 1191065377 /nfs/dbraw/zinc/06/53/77/1191065377.db2.gz FQRNFEYKKGVGQJ-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN C#C[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)c1ccc(Cl)cc1 ZINC001574503729 1191445308 /nfs/dbraw/zinc/44/53/08/1191445308.db2.gz CCGRLAFARBDVKX-DLBZAZTESA-N 0 3 318.848 3.428 20 30 DGEDHN C=C(C)[C@H](NC(=O)[C@H](N)CC(=C)Cl)c1ccc(F)c(F)c1 ZINC001574852162 1191453758 /nfs/dbraw/zinc/45/37/58/1191453758.db2.gz QGWQLXJQLIRWNV-KGLIPLIRSA-N 0 3 314.763 3.168 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](N)c1ccccc1 ZINC001574890436 1191455972 /nfs/dbraw/zinc/45/59/72/1191455972.db2.gz VHHCBMOQXKJGKZ-MOPGFXCFSA-N 0 3 308.425 3.380 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC001574902816 1191457468 /nfs/dbraw/zinc/45/74/68/1191457468.db2.gz HFRROXHHXUQHKG-SFHVURJKSA-N 0 3 318.436 3.290 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC001574902815 1191457787 /nfs/dbraw/zinc/45/77/87/1191457787.db2.gz HFRROXHHXUQHKG-GOSISDBHSA-N 0 3 318.436 3.290 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC001574903498 1191458288 /nfs/dbraw/zinc/45/82/88/1191458288.db2.gz SHQYOIAFZBIOLH-SZMVWBNQSA-N 0 3 300.446 3.322 20 30 DGEDHN CC#CC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001574961931 1191459386 /nfs/dbraw/zinc/45/93/86/1191459386.db2.gz BKFLLWXPPXSCHI-GJZGRUSLSA-N 0 3 324.346 3.110 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C ZINC001574971917 1191461213 /nfs/dbraw/zinc/46/12/13/1191461213.db2.gz JJZYBKOLXJXRPG-WBVHZDCISA-N 0 3 312.413 3.295 20 30 DGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CCCC2)C1 ZINC001618678206 1193747311 /nfs/dbraw/zinc/74/73/11/1193747311.db2.gz VTDOESWLOHMAEQ-WMLDXEAASA-N 0 3 311.429 3.397 20 30 DGEDHN Cc1oc(C(C)(C)C)cc1CNCCNc1ncccc1C#N ZINC001620749151 1193797865 /nfs/dbraw/zinc/79/78/65/1193797865.db2.gz JTEOJCLOTXQGGB-UHFFFAOYSA-N 0 3 312.417 3.354 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001621210756 1193817635 /nfs/dbraw/zinc/81/76/35/1193817635.db2.gz CNGVMNVRYUKFQU-UHFFFAOYSA-N 0 3 309.457 3.260 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001624643574 1194008016 /nfs/dbraw/zinc/00/80/16/1194008016.db2.gz FGSQGRYCBGNIEU-SJLPKXTDSA-N 0 3 300.446 3.225 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)CCN1C ZINC001625091797 1194032285 /nfs/dbraw/zinc/03/22/85/1194032285.db2.gz NIAGDUUQFIIKEL-MFKMUULPSA-N 0 3 320.462 3.131 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H](CCC)c1cccc(Cl)c1 ZINC001625359290 1194047078 /nfs/dbraw/zinc/04/70/78/1194047078.db2.gz CGNRYFLWMCHUNH-QGZVFWFLSA-N 0 3 320.864 3.295 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(F)c1 ZINC001626399324 1194075223 /nfs/dbraw/zinc/07/52/23/1194075223.db2.gz AKMYSZILCWDJSJ-CSKARUKUSA-N 0 3 323.371 3.411 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1 ZINC001628827481 1194198826 /nfs/dbraw/zinc/19/88/26/1194198826.db2.gz LDYKPWKDWJWNMS-FQEVSTJZSA-N 0 3 320.436 3.263 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1(c2ccc(F)cc2)CCC1 ZINC001634635942 1194505707 /nfs/dbraw/zinc/50/57/07/1194505707.db2.gz LYCWOPSEJJIQAA-UHFFFAOYSA-N 0 3 318.436 3.214 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001635854124 1194575570 /nfs/dbraw/zinc/57/55/70/1194575570.db2.gz YJJYGTWOVTYGTC-FUHWJXTLSA-N 0 3 300.446 3.368 20 30 DGEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001636806059 1194634838 /nfs/dbraw/zinc/63/48/38/1194634838.db2.gz RBCVFGTXKYQEII-RAXLEYEMSA-N 0 3 312.457 3.069 20 30 DGEDHN CCC(C)(C)N1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC001640098819 1194796974 /nfs/dbraw/zinc/79/69/74/1194796974.db2.gz RNFZGFAXNLMOAG-UHFFFAOYSA-N 0 3 314.458 3.479 20 30 DGEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC001643688287 1195047030 /nfs/dbraw/zinc/04/70/30/1195047030.db2.gz QFLOFBOXYLQIEJ-MRXNPFEDSA-N 0 3 314.429 3.361 20 30 DGEDHN COc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1C#N ZINC001643952949 1195066829 /nfs/dbraw/zinc/06/68/29/1195066829.db2.gz FLFYNIRRYJLWPM-KRWDZBQOSA-N 0 3 315.417 3.016 20 30 DGEDHN C=CCOCCN1CCc2cc(OC)c(OC)cc2[C@H]1C1CC1 ZINC001644469897 1195110465 /nfs/dbraw/zinc/11/04/65/1195110465.db2.gz MFXCFLDTQOCXKE-LJQANCHMSA-N 0 3 317.429 3.216 20 30 DGEDHN CC[C@@]1(C)CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001644943833 1195144221 /nfs/dbraw/zinc/14/42/21/1195144221.db2.gz BQNRHQLPQQTQAU-TXLGJMDYSA-N 0 3 319.493 3.428 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2csc(C)n2)C[C@@H]1C ZINC001671230688 1195238663 /nfs/dbraw/zinc/23/86/63/1195238663.db2.gz HDXNQPKVVLGCRR-ZFWWWQNUSA-N 0 3 321.490 3.277 20 30 DGEDHN C#CCN(CCCc1ccccc1Br)C1CSC1 ZINC001647548550 1195248902 /nfs/dbraw/zinc/24/89/02/1195248902.db2.gz IUHQGVRPFSTPRM-UHFFFAOYSA-N 0 3 324.287 3.432 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@@]1(CO)c1ccccc1 ZINC001648635806 1195316640 /nfs/dbraw/zinc/31/66/40/1195316640.db2.gz VJVSIJSUMZAZAL-HXUWFJFHSA-N 0 3 322.408 3.050 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1ccc(C)s1 ZINC001649477857 1195348461 /nfs/dbraw/zinc/34/84/61/1195348461.db2.gz YLKAQRKZNBOKHP-GFCCVEGCSA-N 0 3 314.882 3.226 20 30 DGEDHN C=CCN(C)CCN(CC)c1cc(C2CC2)nc(C2CC2)n1 ZINC001651989927 1195533301 /nfs/dbraw/zinc/53/33/01/1195533301.db2.gz ZAOSRINWVIEURE-UHFFFAOYSA-N 0 3 300.450 3.176 20 30 DGEDHN C=CCN(CC(=O)N(CC)CC(F)(F)F)CC1CCCCC1 ZINC001652493651 1195606774 /nfs/dbraw/zinc/60/67/74/1195606774.db2.gz QMJKIMUQCNMAIX-UHFFFAOYSA-N 0 3 320.399 3.466 20 30 DGEDHN N#Cc1cccc(C2(NC[C@H]3COC4(CCCCC4)O3)CC2)c1 ZINC001654428286 1195803402 /nfs/dbraw/zinc/80/34/02/1195803402.db2.gz XAAYATOZSBFZBU-KRWDZBQOSA-N 0 3 312.413 3.213 20 30 DGEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001655024501 1195865619 /nfs/dbraw/zinc/86/56/19/1195865619.db2.gz ICYOASXMCNHFQD-WDEREUQCSA-N 0 3 308.407 3.060 20 30 DGEDHN C#C[C@H]1CCCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC001655035263 1195867369 /nfs/dbraw/zinc/86/73/69/1195867369.db2.gz UNCXHVPUXYDFMX-HNNXBMFYSA-N 0 3 315.804 3.420 20 30 DGEDHN CC1(C)CC(CN2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC001655360688 1195907457 /nfs/dbraw/zinc/90/74/57/1195907457.db2.gz QSWBUXMOODZOJB-UHFFFAOYSA-N 0 3 301.409 3.256 20 30 DGEDHN C=CCOCCN1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001655472260 1195921480 /nfs/dbraw/zinc/92/14/80/1195921480.db2.gz XTUYAVXHRDKBDT-UHFFFAOYSA-N 0 3 324.465 3.055 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001656122295 1196007484 /nfs/dbraw/zinc/00/74/84/1196007484.db2.gz HWPVWWLOFCENQQ-SOUVJXGZSA-N 0 3 304.409 3.337 20 30 DGEDHN CC(C)(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C#N)c1 ZINC001656617806 1196055304 /nfs/dbraw/zinc/05/53/04/1196055304.db2.gz MIBHTWKOFQCRRK-UHFFFAOYSA-N 0 3 306.369 3.165 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001656945149 1196086009 /nfs/dbraw/zinc/08/60/09/1196086009.db2.gz QAJLNDRVWQPPMI-UZLBHIALSA-N 0 3 324.468 3.302 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2F)[C@H]1C ZINC001657009928 1196093329 /nfs/dbraw/zinc/09/33/29/1196093329.db2.gz FYOSCKMPMHSEBU-CPUCHLNUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1C ZINC001657079339 1196101494 /nfs/dbraw/zinc/10/14/94/1196101494.db2.gz DOKAZTWTSDVHDZ-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CC[C@H](C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001657436468 1196140816 /nfs/dbraw/zinc/14/08/16/1196140816.db2.gz ZWZBKOSTCAHHSX-LSDHHAIUSA-N 0 3 320.864 3.380 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@]1(O)CCCC1(C)C ZINC001657430223 1196141333 /nfs/dbraw/zinc/14/13/33/1196141333.db2.gz WRSBSBYVOJZSDS-GOSISDBHSA-N 0 3 321.848 3.383 20 30 DGEDHN COc1ccc(CNCc2cc3ccccc3n2C)cc1C#N ZINC001657888862 1196190731 /nfs/dbraw/zinc/19/07/31/1196190731.db2.gz UGCSERZAYYXPON-UHFFFAOYSA-N 0 3 305.381 3.348 20 30 DGEDHN C#CCOc1ccccc1CNC[C@]1(C)OCCc2ccccc21 ZINC001658497532 1196264460 /nfs/dbraw/zinc/26/44/60/1196264460.db2.gz VSPYUZXAIICWGN-NRFANRHFSA-N 0 3 321.420 3.276 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@]1(C)OCCc2ccccc21 ZINC001658497533 1196265283 /nfs/dbraw/zinc/26/52/83/1196265283.db2.gz VSPYUZXAIICWGN-OAQYLSRUSA-N 0 3 321.420 3.276 20 30 DGEDHN O[C@@H](CNCC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001659363658 1196375778 /nfs/dbraw/zinc/37/57/78/1196375778.db2.gz KPASNXNAOXATEV-KRWDZBQOSA-N 0 3 319.326 3.380 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001659802028 1196415764 /nfs/dbraw/zinc/41/57/64/1196415764.db2.gz DVEAYTVYQVFCQP-FQEVSTJZSA-N 0 3 311.425 3.425 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001660439790 1196484083 /nfs/dbraw/zinc/48/40/83/1196484083.db2.gz KRPLGDZNSWCBPC-NVXWUHKLSA-N 0 3 320.864 3.397 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001660448142 1196485586 /nfs/dbraw/zinc/48/55/86/1196485586.db2.gz VYSNNWUITDFCOJ-ZIAGYGMSSA-N 0 3 316.848 3.380 20 30 DGEDHN C[C@@]1(CN2CCN(c3ccc(F)cc3C#N)CC2)CCCS1 ZINC001660513497 1196492728 /nfs/dbraw/zinc/49/27/28/1196492728.db2.gz NNUFXMUCLDRLHH-KRWDZBQOSA-N 0 3 319.449 3.105 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001660863106 1196537134 /nfs/dbraw/zinc/53/71/34/1196537134.db2.gz VYYIQKHBCWSKKI-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001660988476 1196551384 /nfs/dbraw/zinc/55/13/84/1196551384.db2.gz PMWOJMWADIQZBC-CQSZACIVSA-N 0 3 319.474 3.099 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ncc(C)cc2C)CC1 ZINC001661090330 1196565062 /nfs/dbraw/zinc/56/50/62/1196565062.db2.gz PBHPIGZZVWRTSV-UHFFFAOYSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CCC2CCOCC2)CC1 ZINC001661095162 1196565884 /nfs/dbraw/zinc/56/58/84/1196565884.db2.gz YAYPLMSIWHLHDU-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cc(C)ns1)C1CC1 ZINC001661152494 1196573579 /nfs/dbraw/zinc/57/35/79/1196573579.db2.gz RLKRUVLCNINBKY-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cc(OC)ccc2Cl)C1 ZINC001661399457 1196602119 /nfs/dbraw/zinc/60/21/19/1196602119.db2.gz MRQBAUKCHFCQTN-HDJSIYSDSA-N 0 3 322.836 3.052 20 30 DGEDHN C[C@H]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661426624 1196604064 /nfs/dbraw/zinc/60/40/64/1196604064.db2.gz GFHKKXOVPGNASE-RNQOJCNYSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@@H]21 ZINC001661554908 1196618839 /nfs/dbraw/zinc/61/88/39/1196618839.db2.gz HXFOJOONGLNXNS-LFWKBAGKSA-N 0 3 310.869 3.408 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCc3cncs3)C2)CCCC1 ZINC001661698598 1196632965 /nfs/dbraw/zinc/63/29/65/1196632965.db2.gz WEBDTELGGZQFIH-OKILXGFUSA-N 0 3 319.474 3.016 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001661861200 1196653371 /nfs/dbraw/zinc/65/33/71/1196653371.db2.gz IOOYUSQMRRZPDJ-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001661861199 1196653771 /nfs/dbraw/zinc/65/37/71/1196653771.db2.gz IOOYUSQMRRZPDJ-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(CCOCC)CCC1 ZINC001661866092 1196654622 /nfs/dbraw/zinc/65/46/22/1196654622.db2.gz GFPCMDVWIXYXPW-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1ccc(C)s1 ZINC001661896369 1196660602 /nfs/dbraw/zinc/66/06/02/1196660602.db2.gz NRVYFEJFRWQBTB-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN O=C(CCC1CC1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001661910352 1196661752 /nfs/dbraw/zinc/66/17/52/1196661752.db2.gz PYQNZIZALRTHTI-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CCC)CC1 ZINC001661977010 1196668334 /nfs/dbraw/zinc/66/83/34/1196668334.db2.gz INQDJMSZPTZPIZ-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001662229336 1196696971 /nfs/dbraw/zinc/69/69/71/1196696971.db2.gz DFKXJEVSSCJMHP-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001662234706 1196697507 /nfs/dbraw/zinc/69/75/07/1196697507.db2.gz LCVKENIOINAAFF-LBPRGKRZSA-N 0 3 312.816 3.430 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001662319860 1196707660 /nfs/dbraw/zinc/70/76/60/1196707660.db2.gz NXIPSOTVANORDV-GFCCVEGCSA-N 0 3 312.816 3.430 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC001662487772 1196725573 /nfs/dbraw/zinc/72/55/73/1196725573.db2.gz BTRGFMRMTXNLFL-UHFFFAOYSA-N 0 3 322.799 3.192 20 30 DGEDHN C#CCOc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC001662487942 1196725632 /nfs/dbraw/zinc/72/56/32/1196725632.db2.gz INDFIVSFRPSFIJ-UHFFFAOYSA-N 0 3 317.392 3.379 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001662771858 1196749058 /nfs/dbraw/zinc/74/90/58/1196749058.db2.gz APWYREDSIHAEEF-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001662833545 1196758222 /nfs/dbraw/zinc/75/82/22/1196758222.db2.gz IFHKDITZQUTSIJ-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001662851272 1196761643 /nfs/dbraw/zinc/76/16/43/1196761643.db2.gz QMNWVWMZOXOPCH-UXHICEINSA-N 0 3 324.468 3.126 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001662877587 1196767037 /nfs/dbraw/zinc/76/70/37/1196767037.db2.gz GAGCWOFIEHEZBQ-DZIBYMRMSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC001663476361 1196881063 /nfs/dbraw/zinc/88/10/63/1196881063.db2.gz UFCFQKXGXVDYBL-YOEHRIQHSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001663554315 1196903049 /nfs/dbraw/zinc/90/30/49/1196903049.db2.gz ZXTMSPVVFOQCSH-PBHICJAKSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccnc2ccccc21)C1CC1 ZINC001663735942 1196936660 /nfs/dbraw/zinc/93/66/60/1196936660.db2.gz YTVDHCHLQMEFLN-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(F)cc1Cl)C1CC1 ZINC001663773196 1196943221 /nfs/dbraw/zinc/94/32/21/1196943221.db2.gz OHJLLSZFTWSZNE-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001663846444 1196950062 /nfs/dbraw/zinc/95/00/62/1196950062.db2.gz AAHSXYOUQKYJID-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C=Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)cc1 ZINC001664200611 1196979275 /nfs/dbraw/zinc/97/92/75/1196979275.db2.gz UQJOOOWHZBSQHY-UHFFFAOYSA-N 0 3 319.408 3.063 20 30 DGEDHN CCCN(C(=O)C#CC(C)C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001664661127 1197028290 /nfs/dbraw/zinc/02/82/90/1197028290.db2.gz DKLZQSQBQYPVSS-IBGZPJMESA-N 0 3 316.489 3.459 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001664663469 1197030400 /nfs/dbraw/zinc/03/04/00/1197030400.db2.gz YJAQTIOOOMRSOH-HNNXBMFYSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2CCC(OC)CC2)C1 ZINC001664680124 1197034303 /nfs/dbraw/zinc/03/43/03/1197034303.db2.gz ZYXFMXIYHAOGPD-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CC[C@H](C(=O)NCC[C@@H]1CCN(CCF)C1)c1ccccc1 ZINC001664760728 1197054285 /nfs/dbraw/zinc/05/42/85/1197054285.db2.gz XWKMWVXTNWQTGE-AEFFLSMTSA-N 0 3 318.436 3.144 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001665030067 1197088694 /nfs/dbraw/zinc/08/86/94/1197088694.db2.gz SQAYGYRXKMOHPG-MSOLQXFVSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001665283931 1197118457 /nfs/dbraw/zinc/11/84/57/1197118457.db2.gz MURHRRMMWISKSO-UHFFFAOYSA-N 0 3 320.502 3.331 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)on1 ZINC001665405777 1197132397 /nfs/dbraw/zinc/13/23/97/1197132397.db2.gz RJHAZOJLYZMURU-KKUMJFAQSA-N 0 3 317.433 3.051 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001665727047 1197181673 /nfs/dbraw/zinc/18/16/73/1197181673.db2.gz WAYOYWVVGRSKGV-MRXNPFEDSA-N 0 3 322.399 3.276 20 30 DGEDHN CC[C@H](CNC(=O)C[C@H]1C=CCCC1)NCC#Cc1ccccc1 ZINC001665810319 1197200369 /nfs/dbraw/zinc/20/03/69/1197200369.db2.gz SXCXYXPCXCHKIJ-VQTJNVASSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](CC)NCC#Cc2ccccc2)CC1 ZINC001665839469 1197205256 /nfs/dbraw/zinc/20/52/56/1197205256.db2.gz PBXHEOGKTITLJE-FQEVSTJZSA-N 0 3 324.468 3.269 20 30 DGEDHN C=CCCC(=O)N[C@@](C)(CNCc1cc(C)ccc1F)C1CC1 ZINC001665980504 1197224344 /nfs/dbraw/zinc/22/43/44/1197224344.db2.gz PHEPPFFPLQDFLH-IBGZPJMESA-N 0 3 318.436 3.475 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001666287333 1197248873 /nfs/dbraw/zinc/24/88/73/1197248873.db2.gz SKNBATKZCFHINM-HDJSIYSDSA-N 0 3 307.463 3.016 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)cc1 ZINC001666341161 1197253703 /nfs/dbraw/zinc/25/37/03/1197253703.db2.gz NKSKQZKSIHXTQZ-APWZRJJASA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H](C)C2)cc1 ZINC001666341162 1197253939 /nfs/dbraw/zinc/25/39/39/1197253939.db2.gz NKSKQZKSIHXTQZ-LPHOPBHVSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CCCC1 ZINC001666793386 1197286518 /nfs/dbraw/zinc/28/65/18/1197286518.db2.gz SOQDJPWUKREKGK-HUUCEWRRSA-N 0 3 312.885 3.440 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C1CCCCC1 ZINC001666844779 1197290064 /nfs/dbraw/zinc/29/00/64/1197290064.db2.gz SLOLXVQYPQGJCA-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN Cc1cccc(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001666849306 1197290385 /nfs/dbraw/zinc/29/03/85/1197290385.db2.gz JIJCBLSJOBUZNZ-SFHVURJKSA-N 0 3 320.436 3.097 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666988149 1197306176 /nfs/dbraw/zinc/30/61/76/1197306176.db2.gz UENOBQJKGFVWFN-DYVFJYSZSA-N 0 3 319.474 3.159 20 30 DGEDHN CC[C@@H](F)CNC[C@H](NC(=O)C#CC(C)(C)C)C1CCCCC1 ZINC001667133970 1197322830 /nfs/dbraw/zinc/32/28/30/1197322830.db2.gz COXNRERNAYWZLA-SJORKVTESA-N 0 3 324.484 3.439 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1csc(C(F)(F)F)c1 ZINC001667592583 1197366503 /nfs/dbraw/zinc/36/65/03/1197366503.db2.gz RNSBYQNMBWYEKN-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001667652510 1197374303 /nfs/dbraw/zinc/37/43/03/1197374303.db2.gz IENGOZXIBIFNQB-UHFFFAOYSA-N 0 3 300.446 3.011 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001667663961 1197376776 /nfs/dbraw/zinc/37/67/76/1197376776.db2.gz GKCDYGRWLRBRKK-AWEZNQCLSA-N 0 3 308.853 3.410 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nc(C)cs1 ZINC001667726408 1197383205 /nfs/dbraw/zinc/38/32/05/1197383205.db2.gz FDCHUCSWGOIAHD-HUUCEWRRSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2ccncc2Cl)C1 ZINC001668204241 1197404736 /nfs/dbraw/zinc/40/47/36/1197404736.db2.gz VNBCXTFXPXYFEU-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(F)cccc1Cl ZINC001668283625 1197408194 /nfs/dbraw/zinc/40/81/94/1197408194.db2.gz SSOLWZBRTPNGBI-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C#CC(C)(C)C ZINC001668426892 1197414353 /nfs/dbraw/zinc/41/43/53/1197414353.db2.gz WLWWCYKFGMJZFQ-HNNXBMFYSA-N 0 3 318.436 3.374 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccc(CCCC)cc1 ZINC001668490159 1197416932 /nfs/dbraw/zinc/41/69/32/1197416932.db2.gz VWGUHNHMCRETSZ-UHFFFAOYSA-N 0 3 300.446 3.104 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCc1c(C)nsc1C ZINC001668546547 1197419108 /nfs/dbraw/zinc/41/91/08/1197419108.db2.gz VQZJVJBPRCZBDH-QGZVFWFLSA-N 0 3 323.506 3.300 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001669384979 1197451896 /nfs/dbraw/zinc/45/18/96/1197451896.db2.gz MYFOVCJGVOSFEC-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2ccnc(Cl)c2)CC1 ZINC001669657952 1197468871 /nfs/dbraw/zinc/46/88/71/1197468871.db2.gz VCWAKXNGWMQJCE-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001669799894 1197484077 /nfs/dbraw/zinc/48/40/77/1197484077.db2.gz CXJKORNBEYLBEV-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001669799842 1197484089 /nfs/dbraw/zinc/48/40/89/1197484089.db2.gz CCGNXIFXIGBZSH-KDOFPFPSSA-N 0 3 316.420 3.053 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2C)cc1 ZINC001669856470 1197491343 /nfs/dbraw/zinc/49/13/43/1197491343.db2.gz FLHJWMWKPBAQNP-KRWDZBQOSA-N 0 3 320.436 3.227 20 30 DGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CCCC1CC1 ZINC001669868008 1197494256 /nfs/dbraw/zinc/49/42/56/1197494256.db2.gz MHOBRMAOVWECTA-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC001669916071 1197503023 /nfs/dbraw/zinc/50/30/23/1197503023.db2.gz WGCSBIOSNRLKEY-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCCC(=O)N(C)CCCNCc1cc(F)ccc1Cl ZINC001670038370 1197517121 /nfs/dbraw/zinc/51/71/21/1197517121.db2.gz LEIPEEMIRYXHAC-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN[C@@H](C)c1c(F)cccc1F ZINC001670076474 1197518992 /nfs/dbraw/zinc/51/89/92/1197518992.db2.gz XBWPFZFMASCBAP-AWEZNQCLSA-N 0 3 322.399 3.267 20 30 DGEDHN C#CCCCC(=O)N(C)CCCN[C@H](C)c1c(F)cccc1F ZINC001670076475 1197519279 /nfs/dbraw/zinc/51/92/79/1197519279.db2.gz XBWPFZFMASCBAP-CQSZACIVSA-N 0 3 322.399 3.267 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccnc2ccccc21 ZINC001670165356 1197523627 /nfs/dbraw/zinc/52/36/27/1197523627.db2.gz WTOBTDSKIWHDPP-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C#CCN(C(=O)NC[C@H](CCC)CCCC)C1CCN(C)CC1 ZINC001670287116 1197530080 /nfs/dbraw/zinc/53/00/80/1197530080.db2.gz CUETUQYBJRSBCU-QGZVFWFLSA-N 0 3 321.509 3.332 20 30 DGEDHN C#CCN(C(=O)c1cc(C)c(C)o1)C1CCN(CC(=C)C)CC1 ZINC001671469347 1197541846 /nfs/dbraw/zinc/54/18/46/1197541846.db2.gz IJRNACWRCMLCPI-UHFFFAOYSA-N 0 3 314.429 3.012 20 30 DGEDHN C#CCN(C(=O)[C@@H](C)c1cccc(C)c1)C1CCN(CC=C)CC1 ZINC001671497196 1197543133 /nfs/dbraw/zinc/54/31/33/1197543133.db2.gz NSYBDPVKXUFVOM-SFHVURJKSA-N 0 3 324.468 3.211 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001671859010 1197576200 /nfs/dbraw/zinc/57/62/00/1197576200.db2.gz ZCAZBVRVKFMCDK-IYARVYRRSA-N 0 3 318.505 3.300 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001671886862 1197581056 /nfs/dbraw/zinc/58/10/56/1197581056.db2.gz CHFJYYZXLDXKMU-GOEBONIOSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001671915992 1197584497 /nfs/dbraw/zinc/58/44/97/1197584497.db2.gz CLPCYKWXDSBBIO-KXBFYZLASA-N 0 3 318.436 3.334 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001671912219 1197585074 /nfs/dbraw/zinc/58/50/74/1197585074.db2.gz JNNXNLSJLXYSKQ-MJGOQNOKSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)/C(C)=C\CC)C2)CC1 ZINC001672170656 1197594266 /nfs/dbraw/zinc/59/42/66/1197594266.db2.gz JDASAAVOECYZII-IABUVPNTSA-N 0 3 316.489 3.317 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001672170660 1197594380 /nfs/dbraw/zinc/59/43/80/1197594380.db2.gz JDASAAVOECYZII-QGCWPSNUSA-N 0 3 316.489 3.317 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)CC)c1ccccc1CC ZINC001672177476 1197594838 /nfs/dbraw/zinc/59/48/38/1197594838.db2.gz WULFWVDMMRDBNK-SFHVURJKSA-N 0 3 314.473 3.455 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC001672937138 1197629680 /nfs/dbraw/zinc/62/96/80/1197629680.db2.gz HTNKZOLIKSJPQM-HUUCEWRRSA-N 0 3 300.446 3.269 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2c(C)oc(C)c2C)cc1 ZINC001672943716 1197630039 /nfs/dbraw/zinc/63/00/39/1197630039.db2.gz QKCQKDPPGKOGJN-CQSZACIVSA-N 0 3 324.424 3.419 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC(CC)CC)cc1 ZINC001672943274 1197630146 /nfs/dbraw/zinc/63/01/46/1197630146.db2.gz KPLHEUPUCBQLNX-OAHLLOKOSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCNC1(CNC(=O)C[C@H](CC)c2ccc(C)cc2)CCC1 ZINC001673210033 1197643969 /nfs/dbraw/zinc/64/39/69/1197643969.db2.gz KPOGDZYBTLGJOZ-KRWDZBQOSA-N 0 3 312.457 3.140 20 30 DGEDHN C=CC1(CC(=O)NCC2(NCC#CC)CCC2)CCCCC1 ZINC001673217587 1197644347 /nfs/dbraw/zinc/64/43/47/1197644347.db2.gz AIMAZWMOVCYDPJ-UHFFFAOYSA-N 0 3 302.462 3.165 20 30 DGEDHN C=C[C@H](C(=O)NCC1(NC/C=C\Cl)CCC1)c1ccccc1 ZINC001673238702 1197646042 /nfs/dbraw/zinc/64/60/42/1197646042.db2.gz YKTOIXTVVJZKTP-FGLWMGOFSA-N 0 3 318.848 3.337 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc3cccc(C)c3o2)CCC1 ZINC001673242226 1197647180 /nfs/dbraw/zinc/64/71/80/1197647180.db2.gz ULKNCSZEMLQROE-UHFFFAOYSA-N 0 3 310.397 3.007 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C(C)(C)c1ccccc1C ZINC001673491214 1197667930 /nfs/dbraw/zinc/66/79/30/1197667930.db2.gz FONCIUXCTHHUAK-UHFFFAOYSA-N 0 3 314.473 3.076 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC1CCC1 ZINC001673634376 1197682791 /nfs/dbraw/zinc/68/27/91/1197682791.db2.gz QUGARFGDJVMCJK-LJQANCHMSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@@H](CC)OC)cc2C1 ZINC001673761301 1197690378 /nfs/dbraw/zinc/69/03/78/1197690378.db2.gz SLRGBFUFPUCOFM-GOSISDBHSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001673872059 1197700060 /nfs/dbraw/zinc/70/00/60/1197700060.db2.gz MAADTCKWZPLRDW-HKUYNNGSSA-N 0 3 324.468 3.077 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001674034988 1197726374 /nfs/dbraw/zinc/72/63/74/1197726374.db2.gz ZXLCLSMJKZYHBO-WMZOPIPTSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)C[C@H](C)c2ccco2)C(C)(C)C1 ZINC001674034706 1197726808 /nfs/dbraw/zinc/72/68/08/1197726808.db2.gz WTGBZCKGBHGYPS-GOEBONIOSA-N 0 3 304.434 3.176 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001674140126 1197737916 /nfs/dbraw/zinc/73/79/16/1197737916.db2.gz DRGMIXNKGLTESV-CHWSQXEVSA-N 0 3 306.372 3.264 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2cccc(F)c2o1 ZINC001674258106 1197752589 /nfs/dbraw/zinc/75/25/89/1197752589.db2.gz XUNXHAKXTSBNMI-NSHDSACASA-N 0 3 324.783 3.422 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001674271087 1197754635 /nfs/dbraw/zinc/75/46/35/1197754635.db2.gz BNDQFXOADQYSLP-QGZVFWFLSA-N 0 3 300.446 3.323 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)CCCCC)CC2)C1 ZINC001674279839 1197757745 /nfs/dbraw/zinc/75/77/45/1197757745.db2.gz PVABWDYOBPRLAM-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)CCC ZINC001674419703 1197770721 /nfs/dbraw/zinc/77/07/21/1197770721.db2.gz BYNHYKOEQAUBKN-ZTFGCOKTSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001674486833 1197784289 /nfs/dbraw/zinc/78/42/89/1197784289.db2.gz PKDWNSOGZLFHSQ-CEXWTWQISA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C)n(C(C)C)c1C ZINC001674496366 1197787852 /nfs/dbraw/zinc/78/78/52/1197787852.db2.gz WZYUWDYHGQVZDI-QGZVFWFLSA-N 0 3 317.477 3.408 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CC(C)(C)c1ccccc1 ZINC001674499076 1197789570 /nfs/dbraw/zinc/78/95/70/1197789570.db2.gz CJVCIRQJOUTBOR-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2cccc(C)c2)C1 ZINC001674565747 1197796469 /nfs/dbraw/zinc/79/64/69/1197796469.db2.gz JARWXLXKLYOIBC-UHFFFAOYSA-N 0 3 320.864 3.165 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001674653499 1197821954 /nfs/dbraw/zinc/82/19/54/1197821954.db2.gz KXTSAJCZHSZYQK-JKSUJKDBSA-N 0 3 318.436 3.311 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C)cc1Cl ZINC001674662708 1197825613 /nfs/dbraw/zinc/82/56/13/1197825613.db2.gz YKLRFVAMMULBAV-HUUCEWRRSA-N 0 3 320.864 3.435 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001674736114 1197854490 /nfs/dbraw/zinc/85/44/90/1197854490.db2.gz UMBXJLYSGNMWGP-NEPJUHHUSA-N 0 3 323.506 3.345 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001674985763 1197946809 /nfs/dbraw/zinc/94/68/09/1197946809.db2.gz OGLZYEJPWKTFRT-HNNXBMFYSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC001674991010 1197950425 /nfs/dbraw/zinc/95/04/25/1197950425.db2.gz DTIZLXOLEDWQRV-INIZCTEOSA-N 0 3 300.446 3.370 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C3CC3)cc2)C1 ZINC001675305791 1198041237 /nfs/dbraw/zinc/04/12/37/1198041237.db2.gz VEILRCCFOOTHKR-INIZCTEOSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001675331763 1198046198 /nfs/dbraw/zinc/04/61/98/1198046198.db2.gz DIVRCBKEOLEVKC-CABCVRRESA-N 0 3 320.502 3.329 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H](C)C1CN(CCCF)C1)c1ccccc1 ZINC001675364365 1198055274 /nfs/dbraw/zinc/05/52/74/1198055274.db2.gz UWENHVKTBXWSGA-MAUKXSAKSA-N 0 3 318.436 3.142 20 30 DGEDHN Cc1ccc(CN2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)cc1C ZINC001675454167 1198069480 /nfs/dbraw/zinc/06/94/80/1198069480.db2.gz LTUQYLPFJFRQFJ-LJQANCHMSA-N 0 3 324.468 3.043 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001675468308 1198073797 /nfs/dbraw/zinc/07/37/97/1198073797.db2.gz RYKOEGAORWESHR-SFHVURJKSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C(C)(C)C1 ZINC001675481009 1198077349 /nfs/dbraw/zinc/07/73/49/1198077349.db2.gz VBYNYKNVBQVKRK-GFCCVEGCSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2sccc2C)C(C)(C)C1 ZINC001675480427 1198077747 /nfs/dbraw/zinc/07/77/47/1198077747.db2.gz PLVYPYQGAWZUNM-INIZCTEOSA-N 0 3 320.502 3.392 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@@H](NC/C(Cl)=C/Cl)C(C)C ZINC001676158827 1198237950 /nfs/dbraw/zinc/23/79/50/1198237950.db2.gz VGXQNXPCSDYOFS-RNQWEJQRSA-N 0 3 319.276 3.085 20 30 DGEDHN C[C@@H](CN(C)C(=O)C=C1CCCCC1)NCC#Cc1ccccc1 ZINC001676311302 1198284019 /nfs/dbraw/zinc/28/40/19/1198284019.db2.gz MHJDYEIUFDSHAT-SFHVURJKSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1 ZINC001676428888 1198319602 /nfs/dbraw/zinc/31/96/02/1198319602.db2.gz KJDGUIWDFRZXMZ-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1C ZINC001676632653 1198353642 /nfs/dbraw/zinc/35/36/42/1198353642.db2.gz BWZMOMBNFVWARZ-BLLLJJGKSA-N 0 3 308.372 3.010 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2c(C)nsc2C)C[C@H]1C ZINC001676755431 1198381384 /nfs/dbraw/zinc/38/13/84/1198381384.db2.gz LABJUVFAFJEIIA-DOMZBBRYSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(Cl)nc2)C[C@@H]1C ZINC001676757168 1198381939 /nfs/dbraw/zinc/38/19/39/1198381939.db2.gz VSGAYWBPPDKSLQ-DZGCQCFKSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(C)n([C@@H](C)CC)n1)C(C)C ZINC001677204985 1198484601 /nfs/dbraw/zinc/48/46/01/1198484601.db2.gz JHWQPWPZASPEBL-HNNXBMFYSA-N 0 3 320.481 3.131 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)c1ccsc1)C(C)C ZINC001677211591 1198488822 /nfs/dbraw/zinc/48/88/22/1198488822.db2.gz ROJUFXFCTANARG-OAHLLOKOSA-N 0 3 306.475 3.044 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)c1ccsc1)C(C)C ZINC001677211590 1198489423 /nfs/dbraw/zinc/48/94/23/1198489423.db2.gz ROJUFXFCTANARG-HNNXBMFYSA-N 0 3 306.475 3.044 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C(F)F)o1)C(C)C ZINC001677218640 1198491556 /nfs/dbraw/zinc/49/15/56/1198491556.db2.gz BYQPNCNOCHDHQA-UHFFFAOYSA-N 0 3 312.360 3.023 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc2nc(C)ccc2o1)C(C)C ZINC001677218948 1198491766 /nfs/dbraw/zinc/49/17/66/1198491766.db2.gz HULKIONESRDFBQ-UHFFFAOYSA-N 0 3 315.417 3.105 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](CNCc1ccccc1F)C(C)(C)C ZINC001677248056 1198501007 /nfs/dbraw/zinc/50/10/07/1198501007.db2.gz VTCAGLJQQGFADJ-QGZVFWFLSA-N 0 3 318.436 3.106 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001677287453 1198509747 /nfs/dbraw/zinc/50/97/47/1198509747.db2.gz YNVJDXJDYDSGDN-CQSZACIVSA-N 0 3 323.506 3.366 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](C)CCCCCC)CC1 ZINC001677341881 1198519434 /nfs/dbraw/zinc/51/94/34/1198519434.db2.gz FTEDIUFUJQFJQZ-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001677361881 1198523150 /nfs/dbraw/zinc/52/31/50/1198523150.db2.gz TVPZHLMLZRVEIE-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CC3CC(C)(C)C3)CC2)CC1 ZINC001677463499 1198540066 /nfs/dbraw/zinc/54/00/66/1198540066.db2.gz YYZZDKDKEBYMAS-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCCCC(=O)NCC1=CCN(Cc2cccc(C)c2)CC1 ZINC001677590426 1198557077 /nfs/dbraw/zinc/55/70/77/1198557077.db2.gz WDPSUVATIYHGAI-UHFFFAOYSA-N 0 3 324.468 3.437 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)/C=C\c2ccco2)c(F)c1 ZINC001677640409 1198565770 /nfs/dbraw/zinc/56/57/70/1198565770.db2.gz OPBJHRHMECELPY-FPLPWBNLSA-N 0 3 314.360 3.024 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2Cc3ccccc32)c(F)c1 ZINC001677645065 1198567590 /nfs/dbraw/zinc/56/75/90/1198567590.db2.gz RTOGTWRDEDTDCS-GOSISDBHSA-N 0 3 324.399 3.057 20 30 DGEDHN C=CCC[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001680581828 1198895841 /nfs/dbraw/zinc/89/58/41/1198895841.db2.gz YEADTRIZRZMDMM-MSOLQXFVSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001681791743 1199081696 /nfs/dbraw/zinc/08/16/96/1199081696.db2.gz XAOJOCUFFBMUAU-IRXDYDNUSA-N 0 3 307.482 3.391 20 30 DGEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001682368728 1199155425 /nfs/dbraw/zinc/15/54/25/1199155425.db2.gz CUJMOGQQQDMWTQ-LZLYRXPVSA-N 0 3 315.461 3.285 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)c1cc(C)ccc1C ZINC001682794725 1199199551 /nfs/dbraw/zinc/19/95/51/1199199551.db2.gz KPLFKQFSGJTHRI-SFHVURJKSA-N 0 3 315.461 3.009 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000300845045 1199390030 /nfs/dbraw/zinc/39/00/30/1199390030.db2.gz MVKRCFJEBCCMOT-UONOGXRCSA-N 0 3 309.454 3.304 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001684994165 1199432639 /nfs/dbraw/zinc/43/26/39/1199432639.db2.gz BGFQLNXKKCHHDD-UHFFFAOYSA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccsc1COC ZINC001688876876 1199939142 /nfs/dbraw/zinc/93/91/42/1199939142.db2.gz ZLFKXAYFINTDIW-AWEZNQCLSA-N 0 3 322.474 3.007 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC001688897638 1199950016 /nfs/dbraw/zinc/95/00/16/1199950016.db2.gz ZYQQYCFEMNYTEK-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001688901763 1199952297 /nfs/dbraw/zinc/95/22/97/1199952297.db2.gz CHCBMHYCDNTBNB-FZNQNYSPSA-N 0 3 318.848 3.128 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001688948118 1199968352 /nfs/dbraw/zinc/96/83/52/1199968352.db2.gz BAJULEASBIAYSQ-IHRRRGAJSA-N 0 3 324.827 3.166 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(C)CCCCC1)C(C)C ZINC001753838193 1199987476 /nfs/dbraw/zinc/98/74/76/1199987476.db2.gz OZVPFDFWVFOBGQ-AWEZNQCLSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1cc(C)ns1)C(C)C ZINC001753839044 1199988621 /nfs/dbraw/zinc/98/86/21/1199988621.db2.gz WZODUTXSTASPAQ-NVXWUHKLSA-N 0 3 323.506 3.284 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(F)c1 ZINC001753860864 1200009492 /nfs/dbraw/zinc/00/94/92/1200009492.db2.gz MMIQJRAGAZYZKQ-INIZCTEOSA-N 0 3 318.436 3.471 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C)c2ccccc12 ZINC001753864563 1200014486 /nfs/dbraw/zinc/01/44/86/1200014486.db2.gz OPRSHCCWMKXUDL-UHFFFAOYSA-N 0 3 308.425 3.175 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cn1 ZINC001753966524 1200054074 /nfs/dbraw/zinc/05/40/74/1200054074.db2.gz RLQWEJUFAFSEFP-ZDUSSCGKSA-N 0 3 323.868 3.230 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCCc2ccccc2)[C@H]1CC ZINC001689186600 1200054846 /nfs/dbraw/zinc/05/48/46/1200054846.db2.gz RNNHWYQQHKAOQV-RBUKOAKNSA-N 0 3 312.457 3.002 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC001753976433 1200056850 /nfs/dbraw/zinc/05/68/50/1200056850.db2.gz ZPKSPTFRQYMIAZ-NQHOJNORSA-N 0 3 324.827 3.466 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccc(F)cc2)[C@H]1C ZINC001689320405 1200092030 /nfs/dbraw/zinc/09/20/30/1200092030.db2.gz JRULJCHJZSTECX-QAPCUYQASA-N 0 3 318.436 3.304 20 30 DGEDHN C=C1CCC(C(=O)N(CC)CCNCc2cccnc2C)CC1 ZINC001754065840 1200092178 /nfs/dbraw/zinc/09/21/78/1200092178.db2.gz SRPDUFKANZRSGQ-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2sc(C)nc2C)C1 ZINC001754066346 1200092953 /nfs/dbraw/zinc/09/29/53/1200092953.db2.gz JBQNZGYGFOGNJL-UHFFFAOYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C\CNCc2ccsc2)CC1 ZINC001754166706 1200119940 /nfs/dbraw/zinc/11/99/40/1200119940.db2.gz RJMLSNQQTHOLOQ-IHWYPQMZSA-N 0 3 304.459 3.257 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1=CCCCCC1 ZINC001754222494 1200138472 /nfs/dbraw/zinc/13/84/72/1200138472.db2.gz BXUJUBRZBBLPMD-CYBMUJFWSA-N 0 3 317.458 3.105 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CCCCC1 ZINC001754241667 1200148731 /nfs/dbraw/zinc/14/87/31/1200148731.db2.gz PYKRFKGNGGUJGY-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN CC(C)[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001754285857 1200174017 /nfs/dbraw/zinc/17/40/17/1200174017.db2.gz OXAHAJCZLQPYTB-GJZGRUSLSA-N 0 3 320.864 3.078 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001754304855 1200188113 /nfs/dbraw/zinc/18/81/13/1200188113.db2.gz MQQKSJXUOAXNIT-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001754322869 1200210757 /nfs/dbraw/zinc/21/07/57/1200210757.db2.gz KFWYHIAAMOUQLF-KBXCAEBGSA-N 0 3 306.425 3.365 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(CC)c1 ZINC001754321845 1200210800 /nfs/dbraw/zinc/21/08/00/1200210800.db2.gz SUVRADKLPGAXIE-KRWDZBQOSA-N 0 3 314.473 3.379 20 30 DGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCCC1CC1 ZINC001754321923 1200212621 /nfs/dbraw/zinc/21/26/21/1200212621.db2.gz VFDHTSNJQZMHPY-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)(C)/C=C\C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754435835 1200262495 /nfs/dbraw/zinc/26/24/95/1200262495.db2.gz MRYHBAWZFNLLNQ-FNDLEWIFSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001754479640 1200290616 /nfs/dbraw/zinc/29/06/16/1200290616.db2.gz ZGBRUAYMWQWGBG-WNRNVDISSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC1CC(c2ccccc2)C1 ZINC001754487922 1200296196 /nfs/dbraw/zinc/29/61/96/1200296196.db2.gz SLQJXJWUWZOTTI-NKELODKYSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(F)ccc1CC ZINC001754488140 1200299271 /nfs/dbraw/zinc/29/92/71/1200299271.db2.gz XAIIIXZFMHRTOQ-MRXNPFEDSA-N 0 3 304.409 3.158 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001754504484 1200319449 /nfs/dbraw/zinc/31/94/49/1200319449.db2.gz HFTZBGBHUGAKQX-XJKSGUPXSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001754506122 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C#CCCCCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001754626237 1200403870 /nfs/dbraw/zinc/40/38/70/1200403870.db2.gz UQXVEGJKQVFFMT-UHFFFAOYSA-N 0 3 318.383 3.103 20 30 DGEDHN CC#CCNC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc2ccccc2c1 ZINC001754643583 1200411912 /nfs/dbraw/zinc/41/19/12/1200411912.db2.gz CCTUUIVBVJDAAT-YSSFQJQWSA-N 0 3 320.436 3.266 20 30 DGEDHN CC(C)(C)/C=C/C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001690144908 1200420489 /nfs/dbraw/zinc/42/04/89/1200420489.db2.gz IMAFWIOQQMHCKR-JKIKYLSZSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001754680230 1200438855 /nfs/dbraw/zinc/43/88/55/1200438855.db2.gz ITBKBZODUSCPRU-QFBILLFUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CSCCC ZINC001690202116 1200452836 /nfs/dbraw/zinc/45/28/36/1200452836.db2.gz JCBAXTKEHGCBHY-OAGGEKHMSA-N 0 3 310.507 3.160 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC#Cc1ccccc1 ZINC001690216709 1200456560 /nfs/dbraw/zinc/45/65/60/1200456560.db2.gz 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1200535995 /nfs/dbraw/zinc/53/59/95/1200535995.db2.gz OOBHNJAUPBDWSR-ZWKOTPCHSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)c2ccccc2)C1 ZINC001754939299 1200543591 /nfs/dbraw/zinc/54/35/91/1200543591.db2.gz QFBFCEJOJHJEDG-HZPDHXFCSA-N 0 3 320.864 3.371 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CC1(c2ccccc2)CC1 ZINC001690449191 1200564830 /nfs/dbraw/zinc/56/48/30/1200564830.db2.gz ZLLSRVRRVCEDRZ-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001754986311 1200573052 /nfs/dbraw/zinc/57/30/52/1200573052.db2.gz ZXUFEXLHIXBUJQ-UHFFFAOYSA-N 0 3 317.458 3.105 20 30 DGEDHN C#CCNC1(CNC(=O)C2CC(C)(C)CC(C)(C)C2)CCC1 ZINC001754989986 1200575545 /nfs/dbraw/zinc/57/55/45/1200575545.db2.gz YSRQGEICJRMXTE-UHFFFAOYSA-N 0 3 304.478 3.101 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCC2CCCC2)C1 ZINC001690492742 1200589388 /nfs/dbraw/zinc/58/93/88/1200589388.db2.gz UJNNFEWAKXJFFC-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001755030839 1200593823 /nfs/dbraw/zinc/59/38/23/1200593823.db2.gz ITACKBNWBVIJJY-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CC)CCCCC2)C1 ZINC001690505175 1200600711 /nfs/dbraw/zinc/60/07/11/1200600711.db2.gz OUGKWHQIAQIRIC-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C/CC)C1 ZINC001755046453 1200617662 /nfs/dbraw/zinc/61/76/62/1200617662.db2.gz CTEIMOAIJYLMRI-NZNBCCPUSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001755075472 1200629576 /nfs/dbraw/zinc/62/95/76/1200629576.db2.gz HHPQVHCFCQKMOA-SNRMKQJTSA-N 0 3 312.457 3.152 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)C1(C)CC1 ZINC001755075932 1200629671 /nfs/dbraw/zinc/62/96/71/1200629671.db2.gz PLIHIBXLKZFCSH-SFHVURJKSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(Cl)c(OC)c1 ZINC001690612443 1200648285 /nfs/dbraw/zinc/64/82/85/1200648285.db2.gz 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CCCC[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C(C)C ZINC001755356773 1200838834 /nfs/dbraw/zinc/83/88/34/1200838834.db2.gz WUKXNOHFCASZNS-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001755386176 1200870547 /nfs/dbraw/zinc/87/05/47/1200870547.db2.gz KVMGESDTVBUBFV-SJORKVTESA-N 0 3 304.478 3.219 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001755388855 1200872146 /nfs/dbraw/zinc/87/21/46/1200872146.db2.gz KWCKGDYRJCLDNC-INIZCTEOSA-N 0 3 314.473 3.285 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001755389616 1200872489 /nfs/dbraw/zinc/87/24/89/1200872489.db2.gz AFOQIYPJVKEDEX-VQIMIIECSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC001755411618 1200886392 /nfs/dbraw/zinc/88/63/92/1200886392.db2.gz MPMZPWPWJHSEEM-PBHICJAKSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CCC)C(C)C)C[C@]2(C)C1 ZINC001755460065 1200904945 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C=C(C)CN1CC[C@H](NC(=O)C/C=C\c2ccc(F)cc2)[C@H]1C ZINC001692173891 1200957437 /nfs/dbraw/zinc/95/74/37/1200957437.db2.gz WYIVVTKANSZGRG-PHJPPKDOSA-N 0 3 316.420 3.384 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1ccccc1Cl ZINC001755585560 1200971426 /nfs/dbraw/zinc/97/14/26/1200971426.db2.gz SADDFOZGBKMCTC-CQSZACIVSA-N 0 3 306.837 3.080 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccccc1Cl ZINC001755585559 1200972168 /nfs/dbraw/zinc/97/21/68/1200972168.db2.gz SADDFOZGBKMCTC-AWEZNQCLSA-N 0 3 306.837 3.080 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CCC)c2ccccc2)[C@H]1C ZINC001692229336 1200977180 /nfs/dbraw/zinc/97/71/80/1200977180.db2.gz VNJBTSIADHSJKP-QRQLOZEOSA-N 0 3 312.457 3.173 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001755600630 1200979836 /nfs/dbraw/zinc/97/98/36/1200979836.db2.gz RAUUWUYKQWYYAL-ZDUSSCGKSA-N 0 3 323.868 3.274 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CCC=C)c2ccccc2)[C@H]1C ZINC001692244238 1200982514 /nfs/dbraw/zinc/98/25/14/1200982514.db2.gz 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1201033665 /nfs/dbraw/zinc/03/36/65/1201033665.db2.gz DKUSNXPMMWADBG-HUUCEWRRSA-N 0 3 321.490 3.472 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C[C@H]1CC(C)(C)CO1)C(C)C ZINC001755813396 1201077086 /nfs/dbraw/zinc/07/70/86/1201077086.db2.gz OXNHLLSHHITXQB-QGZVFWFLSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1oc(C(F)F)cc1C)C(C)C ZINC001755813675 1201077996 /nfs/dbraw/zinc/07/79/96/1201077996.db2.gz WMIOMHBTPPJTDX-UHFFFAOYSA-N 0 3 314.376 3.494 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccsc1Cl)C(C)C ZINC001755814922 1201079467 /nfs/dbraw/zinc/07/94/67/1201079467.db2.gz UERZFSXGBUAAHA-UHFFFAOYSA-N 0 3 312.866 3.207 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(Cl)cn1CC)C(C)C ZINC001755815143 1201080401 /nfs/dbraw/zinc/08/04/01/1201080401.db2.gz BUAPIRSSRQIXBL-UHFFFAOYSA-N 0 3 311.857 3.130 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001755825825 1201090089 /nfs/dbraw/zinc/09/00/89/1201090089.db2.gz XADAKTBRRKMPIF-INIZCTEOSA-N 0 3 303.450 3.058 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC001755854604 1201108645 /nfs/dbraw/zinc/10/86/45/1201108645.db2.gz NTPBGXAEFZGVAJ-UHFFFAOYSA-N 0 3 308.372 3.010 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2cccc(F)c2F)C1 ZINC001698590967 1201264624 /nfs/dbraw/zinc/26/46/24/1201264624.db2.gz QWPORNYXUAHTJO-OAHLLOKOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(Cl)[nH]2)CCCC1 ZINC001698634276 1201301249 /nfs/dbraw/zinc/30/12/49/1201301249.db2.gz NSKALKITPPWTGN-UHFFFAOYSA-N 0 3 316.232 3.053 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccoc2)CCCC[C@H]1C ZINC001698657261 1201322406 /nfs/dbraw/zinc/32/24/06/1201322406.db2.gz PUWVXIPMOYHKEQ-MLGOLLRUSA-N 0 3 310.825 3.300 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cncs1 ZINC001698940301 1201589462 /nfs/dbraw/zinc/58/94/62/1201589462.db2.gz OLJXLVFSNRVBEU-ZBFHGGJFSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cncs1 ZINC001698940298 1201589604 /nfs/dbraw/zinc/58/96/04/1201589604.db2.gz OLJXLVFSNRVBEU-GDBMZVCRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccccc1CC)C(C)C ZINC001698968982 1201624485 /nfs/dbraw/zinc/62/44/85/1201624485.db2.gz UETNKLCTMICUKS-QGZVFWFLSA-N 0 3 322.880 3.274 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCOC1CCCCCC1 ZINC001698995732 1201662413 /nfs/dbraw/zinc/66/24/13/1201662413.db2.gz ULBXNUOLIKAIGB-UHFFFAOYSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C/Cl ZINC001699029104 1201695181 /nfs/dbraw/zinc/69/51/81/1201695181.db2.gz OLKDVSSCSFARBO-PPHUXIPZSA-N 0 3 319.276 3.392 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001699130059 1201722697 /nfs/dbraw/zinc/72/26/97/1201722697.db2.gz QKBMXPBGMKUAJH-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1ncc(C)s1 ZINC001699139540 1201725164 /nfs/dbraw/zinc/72/51/64/1201725164.db2.gz ZZGRRKWZSXTYJJ-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001750934441 1201728505 /nfs/dbraw/zinc/72/85/05/1201728505.db2.gz SGZXJDKNQDRMFO-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN CCC[C@@H](C)C(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001699171487 1201740966 /nfs/dbraw/zinc/74/09/66/1201740966.db2.gz ODSFHPUAGIMWGC-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H](CC)C1CCC(C)CC1)C1CC1 ZINC001752261330 1201814007 /nfs/dbraw/zinc/81/40/07/1201814007.db2.gz ORWZYDXLHVBJEO-FAFZWHIHSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN(CCCNC(=O)CC1CCCCCC1)C1CC1 ZINC001752278784 1201818992 /nfs/dbraw/zinc/81/89/92/1201818992.db2.gz KSJSUEBLWYRQOR-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)[C@H](C)COC)CC1 ZINC001752440332 1201839354 /nfs/dbraw/zinc/83/93/54/1201839354.db2.gz TYDQCHBJJMAHMB-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C(C)C ZINC001752535014 1201870639 /nfs/dbraw/zinc/87/06/39/1201870639.db2.gz VQMBVVVDIFRNDE-FJIDUMEYSA-N 0 3 322.493 3.077 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001752568991 1201874693 /nfs/dbraw/zinc/87/46/93/1201874693.db2.gz VPBXDPRKXZBKHW-WCIQWLHISA-N 0 3 324.468 3.432 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@H]1CCc2c1cc(F)cc2F ZINC001699441359 1201876066 /nfs/dbraw/zinc/87/60/66/1201876066.db2.gz FFASDOZWPGAXDR-PXAZEXFGSA-N 0 3 322.399 3.355 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001752650966 1201885910 /nfs/dbraw/zinc/88/59/10/1201885910.db2.gz NQAJJGGIUMAQJM-HDJSIYSDSA-N 0 3 306.837 3.289 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)=C(C)C)C1 ZINC001752708679 1201898012 /nfs/dbraw/zinc/89/80/12/1201898012.db2.gz VSMSEPCSDYWQOH-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)=C(C)C)C1 ZINC001752708681 1201899179 /nfs/dbraw/zinc/89/91/79/1201899179.db2.gz VSMSEPCSDYWQOH-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001699466489 1201908666 /nfs/dbraw/zinc/90/86/66/1201908666.db2.gz AXGWRAPVILVHFR-FUHWJXTLSA-N 0 3 302.462 3.439 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001752790296 1201926011 /nfs/dbraw/zinc/92/60/11/1201926011.db2.gz WNADSGYZYUBNTI-ROUUACIJSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](CC=C)c1ccccc1 ZINC001752824956 1201951846 /nfs/dbraw/zinc/95/18/46/1201951846.db2.gz IIMXXDATBWAGPC-WOJBJXKFSA-N 0 3 324.468 3.340 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN1Cc1cccc2ccccc21 ZINC001699619205 1201983537 /nfs/dbraw/zinc/98/35/37/1201983537.db2.gz NNRYAPWAGAVZEY-LJQANCHMSA-N 0 3 320.436 3.334 20 30 DGEDHN CCC(CC)[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001752881934 1201991049 /nfs/dbraw/zinc/99/10/49/1201991049.db2.gz KQOHADIYILEUMG-QWHCGFSZSA-N 0 3 321.490 3.286 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001699630703 1201994654 /nfs/dbraw/zinc/99/46/54/1201994654.db2.gz SBXXBSCQQAAFRY-WBVHZDCISA-N 0 3 304.478 3.360 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccccc1OC(C)C ZINC001752891825 1201996879 /nfs/dbraw/zinc/99/68/79/1201996879.db2.gz RBRVGLCEHZNAHU-HNNXBMFYSA-N 0 3 318.461 3.280 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001699664009 1202022300 /nfs/dbraw/zinc/02/23/00/1202022300.db2.gz STPDWYMGBWHFFQ-INIZCTEOSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001752972048 1202030605 /nfs/dbraw/zinc/03/06/05/1202030605.db2.gz SPQXPHJJFDGFFS-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001699696854 1202039278 /nfs/dbraw/zinc/03/92/78/1202039278.db2.gz JTWOZPAAMYAIOJ-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCCCCCC)C2)C1 ZINC001699707575 1202043632 /nfs/dbraw/zinc/04/36/32/1202043632.db2.gz YVPODBLBIXYWPX-IBGZPJMESA-N 0 3 304.478 3.295 20 30 DGEDHN CCC(C)(C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001699757517 1202068001 /nfs/dbraw/zinc/06/80/01/1202068001.db2.gz UZDRGSRWSLZPBX-SFHVURJKSA-N 0 3 312.457 3.055 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001699774003 1202075445 /nfs/dbraw/zinc/07/54/45/1202075445.db2.gz KCQOZFYMIJRCAG-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cnc(C)s1)C1CCCC1 ZINC001699793259 1202080890 /nfs/dbraw/zinc/08/08/90/1202080890.db2.gz RNEONHSMPHWAEE-MRXNPFEDSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CC1(CC(=O)N[C@]2(C)CCN(CCOCC)C2)CCCCC1 ZINC001699852790 1202113161 /nfs/dbraw/zinc/11/31/61/1202113161.db2.gz DTMDGYGXWPKTMQ-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001753087311 1202117694 /nfs/dbraw/zinc/11/76/94/1202117694.db2.gz ZTLRXFXTHFPJAO-LJQANCHMSA-N 0 3 313.445 3.099 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC[C@@H](C)CC)C2)CC1 ZINC001699930975 1202139636 /nfs/dbraw/zinc/13/96/36/1202139636.db2.gz BQGWXKXFTPTXPC-HKUYNNGSSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@@H](C)CCC)C2)CC1 ZINC001699976687 1202154784 /nfs/dbraw/zinc/15/47/84/1202154784.db2.gz SNQNACANDYLGPF-HKUYNNGSSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@@H](C)CCC)C2)CC1 ZINC001699976690 1202154967 /nfs/dbraw/zinc/15/49/67/1202154967.db2.gz SNQNACANDYLGPF-PKOBYXMFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1 ZINC001700005386 1202160654 /nfs/dbraw/zinc/16/06/54/1202160654.db2.gz CKGOPPGDWUEFQJ-QZTJIDSGSA-N 0 3 316.420 3.357 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)CC(C)C)[C@@H]2C1 ZINC001700020518 1202167625 /nfs/dbraw/zinc/16/76/25/1202167625.db2.gz YCVGYTRSGSLJRG-OKZBNKHCSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001700069005 1202172055 /nfs/dbraw/zinc/17/20/55/1202172055.db2.gz SUPFSMFLPCTNKV-CQSZACIVSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cccc(C)c1Cl)C1CC1 ZINC001753157682 1202174589 /nfs/dbraw/zinc/17/45/89/1202174589.db2.gz SUXNBKDJSTTWQC-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN(CCNC(=O)C[C@H](C)c1cccc(F)c1)C1CC1 ZINC001753158829 1202174813 /nfs/dbraw/zinc/17/48/13/1202174813.db2.gz HVIZZFNQHSHJMT-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001700085453 1202175256 /nfs/dbraw/zinc/17/52/56/1202175256.db2.gz JRICHWKUQRROID-HUUCEWRRSA-N 0 3 310.869 3.147 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001700089417 1202176712 /nfs/dbraw/zinc/17/67/12/1202176712.db2.gz BYWXWUXAXADDFY-QKLQHJQFSA-N 0 3 324.468 3.194 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc(-c2ccoc2)c1)C1CC1 ZINC001753161456 1202177077 /nfs/dbraw/zinc/17/70/77/1202177077.db2.gz FUUQOKNTFRRHOC-UHFFFAOYSA-N 0 3 310.397 3.327 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)c2ccco2)cc1 ZINC001700094877 1202179413 /nfs/dbraw/zinc/17/94/13/1202179413.db2.gz OMXMIXMEHJAVDJ-HOTGVXAUSA-N 0 3 324.424 3.373 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CCCC[C@H](C)CC)C2)CC1 ZINC001700108457 1202183300 /nfs/dbraw/zinc/18/33/00/1202183300.db2.gz SAIALAIPDQNRPJ-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2ccc(F)c(F)c2)CCC1 ZINC001753228501 1202186247 /nfs/dbraw/zinc/18/62/47/1202186247.db2.gz YLKWUISBUYWOQJ-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)CSC)c1ccccc1 ZINC001753297315 1202199177 /nfs/dbraw/zinc/19/91/77/1202199177.db2.gz IRSOJAJZEBIEJQ-HOCLYGCPSA-N 0 3 306.475 3.009 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)C(C)C)c1ccccc1 ZINC001753298919 1202199991 /nfs/dbraw/zinc/19/99/91/1202199991.db2.gz PCUVKIYDHRHPGK-KRWDZBQOSA-N 0 3 300.446 3.139 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)C(C)C)c1ccccc1 ZINC001753298920 1202200563 /nfs/dbraw/zinc/20/05/63/1202200563.db2.gz PCUVKIYDHRHPGK-QGZVFWFLSA-N 0 3 300.446 3.139 20 30 DGEDHN CCCCC(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001700184236 1202200874 /nfs/dbraw/zinc/20/08/74/1202200874.db2.gz WXSHISVQLVAJSO-UHFFFAOYSA-N 0 3 319.424 3.168 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)cc1)c1ccccc1 ZINC001753302772 1202201186 /nfs/dbraw/zinc/20/11/86/1202201186.db2.gz JEAPKWGCTDYAGD-LJQANCHMSA-N 0 3 306.409 3.079 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCOC ZINC001753310973 1202202962 /nfs/dbraw/zinc/20/29/62/1202202962.db2.gz XKJHDQBAZLXQCF-ZIFCJYIRSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCC(=O)N(CCC)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001753314751 1202205806 /nfs/dbraw/zinc/20/58/06/1202205806.db2.gz LMMBSPHWQALRBN-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001753317514 1202206600 /nfs/dbraw/zinc/20/66/00/1202206600.db2.gz PHXGDYHJPZNNIY-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccc(F)cc2)C1 ZINC001753324191 1202211583 /nfs/dbraw/zinc/21/15/83/1202211583.db2.gz ZHBQOINSVZEOEQ-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001700226160 1202215310 /nfs/dbraw/zinc/21/53/10/1202215310.db2.gz IIJGEMMRCPPRFE-QVNOTHCHSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001753335011 1202216141 /nfs/dbraw/zinc/21/61/41/1202216141.db2.gz RUJBHFIEGJJHED-OAHLLOKOSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](C)C(C)(F)F)cc2C1 ZINC001700252323 1202217820 /nfs/dbraw/zinc/21/78/20/1202217820.db2.gz GRDRXFBVDIMMGS-ZDUSSCGKSA-N 0 3 322.399 3.486 20 30 DGEDHN C=CCCCC(=O)N1CCC(C)(NCc2csc(C)n2)CC1 ZINC001700281791 1202224378 /nfs/dbraw/zinc/22/43/78/1202224378.db2.gz IMUMTCXNUKJDDA-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001700316255 1202233234 /nfs/dbraw/zinc/23/32/34/1202233234.db2.gz RWBGNGKMBGMZGK-NWDGAFQWSA-N 0 3 306.372 3.120 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001700328750 1202239171 /nfs/dbraw/zinc/23/91/71/1202239171.db2.gz WQNWBZRJKLGJML-KBPBESRZSA-N 0 3 324.852 3.036 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001700328980 1202239441 /nfs/dbraw/zinc/23/94/41/1202239441.db2.gz AAROJDIRXSNHKX-IBGZPJMESA-N 0 3 323.440 3.310 20 30 DGEDHN C#CCCCCC(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001753400967 1202241183 /nfs/dbraw/zinc/24/11/83/1202241183.db2.gz OPAZASGHKPOIRZ-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C)(C)C ZINC001700347739 1202243596 /nfs/dbraw/zinc/24/35/96/1202243596.db2.gz YXYIICLFXHSKGC-SJLPKXTDSA-N 0 3 300.446 3.371 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C ZINC001753419396 1202247707 /nfs/dbraw/zinc/24/77/07/1202247707.db2.gz LNRCIFNEOWQOKF-HOTGVXAUSA-N 0 3 303.450 3.192 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CCC1 ZINC001753424345 1202248879 /nfs/dbraw/zinc/24/88/79/1202248879.db2.gz UHRJZBZHNQJGJO-IRXDYDNUSA-N 0 3 316.489 3.454 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001753435986 1202254109 /nfs/dbraw/zinc/25/41/09/1202254109.db2.gz CCBNNYBDNDMNEK-KRWDZBQOSA-N 0 3 318.436 3.257 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(CC)cc2)C1 ZINC001700381598 1202255902 /nfs/dbraw/zinc/25/59/02/1202255902.db2.gz HZOLTWUJJAIOAB-UHFFFAOYSA-N 0 3 306.837 3.100 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC(C)(C)C(F)(F)F)C1 ZINC001753448428 1202259427 /nfs/dbraw/zinc/25/94/27/1202259427.db2.gz UBESMFQDWYBNOH-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)c1F ZINC001700396706 1202261492 /nfs/dbraw/zinc/26/14/92/1202261492.db2.gz YAYMLGNMCKEHDQ-NEPJUHHUSA-N 0 3 312.816 3.428 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1scnc1C ZINC001700399332 1202262359 /nfs/dbraw/zinc/26/23/59/1202262359.db2.gz CWQNXMPBRGDTLT-NWDGAFQWSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001700401347 1202263003 /nfs/dbraw/zinc/26/30/03/1202263003.db2.gz OEMPDTDNGQZVPD-HUUCEWRRSA-N 0 3 306.425 3.473 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)CCCC1CC1 ZINC001700413119 1202266030 /nfs/dbraw/zinc/26/60/30/1202266030.db2.gz JIGOODUKFRZOKK-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001700414078 1202266454 /nfs/dbraw/zinc/26/64/54/1202266454.db2.gz 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1202287449 /nfs/dbraw/zinc/28/74/49/1202287449.db2.gz WOUOUJDQMVQRDQ-AWEZNQCLSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001753558441 1202288467 /nfs/dbraw/zinc/28/84/67/1202288467.db2.gz CPKOGAQRWWTWOS-CQSZACIVSA-N 0 3 324.896 3.393 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001700482122 1202292676 /nfs/dbraw/zinc/29/26/76/1202292676.db2.gz XJXFHDSJNDGVGA-QAPCUYQASA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(Cl)ccc1Cl ZINC001700484819 1202293702 /nfs/dbraw/zinc/29/37/02/1202293702.db2.gz SEBVMJOTAIVRBG-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H](C)CC ZINC001700517336 1202301144 /nfs/dbraw/zinc/30/11/44/1202301144.db2.gz PEGCBYOVAQTIIA-IEBWSBKVSA-N 0 3 314.473 3.349 20 30 DGEDHN CCCCCC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001753679292 1202311888 /nfs/dbraw/zinc/31/18/88/1202311888.db2.gz KLGLTLRMJIQOHI-AWEZNQCLSA-N 0 3 319.424 3.214 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001700551230 1202311952 /nfs/dbraw/zinc/31/19/52/1202311952.db2.gz RYEUGJITZUUTKQ-STQMWFEESA-N 0 3 322.399 3.081 20 30 DGEDHN CCCC1(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)CC1 ZINC001753711573 1202318890 /nfs/dbraw/zinc/31/88/90/1202318890.db2.gz SCOYOVHEBMRFRE-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cncs1)CC(C)C ZINC001753739036 1202326174 /nfs/dbraw/zinc/32/61/74/1202326174.db2.gz VGESWUHUGCRZPM-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CCCCC1)C1CC1 ZINC001753743982 1202327605 /nfs/dbraw/zinc/32/76/05/1202327605.db2.gz YMFZOEUONVWHIZ-HXUWFJFHSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1cc(C)cc(C)c1 ZINC001700673430 1202332298 /nfs/dbraw/zinc/33/22/98/1202332298.db2.gz LTOSROBZZQOMJQ-MRXNPFEDSA-N 0 3 322.880 3.473 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](C)n1cccc1 ZINC001753778627 1202332338 /nfs/dbraw/zinc/33/23/38/1202332338.db2.gz ARHLOCFFFSWOLJ-JKSUJKDBSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCCC(F)(F)F)C1 ZINC001701023949 1202382718 /nfs/dbraw/zinc/38/27/18/1202382718.db2.gz TURNOWIEEBNFBE-UHFFFAOYSA-N 0 3 312.763 3.051 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001700765209 1202350493 /nfs/dbraw/zinc/35/04/93/1202350493.db2.gz OCTSCQAXTDRPAW-KGLIPLIRSA-N 0 3 319.474 3.159 20 30 DGEDHN CC/C(C)=C/C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001700813257 1202354869 /nfs/dbraw/zinc/35/48/69/1202354869.db2.gz AMZHZZKUHFOZTM-MZKQWIHFSA-N 0 3 317.458 3.055 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@@H]1C ZINC001700837577 1202357433 /nfs/dbraw/zinc/35/74/33/1202357433.db2.gz KTVSSPSNBRWTGF-GXTWGEPZSA-N 0 3 321.490 3.133 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](NCc2ccc(Cl)s2)C[C@H]1C ZINC001700836997 1202357663 /nfs/dbraw/zinc/35/76/63/1202357663.db2.gz CLSKLXVTBCFQON-CHWSQXEVSA-N 0 3 324.877 3.140 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001700841507 1202357765 /nfs/dbraw/zinc/35/77/65/1202357765.db2.gz MGTFCFHLVNXQQY-QAPCUYQASA-N 0 3 316.489 3.195 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001700840384 1202357908 /nfs/dbraw/zinc/35/79/08/1202357908.db2.gz GENDMDPMZJVQSE-LSDHHAIUSA-N 0 3 318.848 3.173 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001700841505 1202357940 /nfs/dbraw/zinc/35/79/40/1202357940.db2.gz MGTFCFHLVNXQQY-CRAIPNDOSA-N 0 3 316.489 3.195 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(CCC)c(C)s2)C1 ZINC001700850028 1202358807 /nfs/dbraw/zinc/35/88/07/1202358807.db2.gz BPXQVJIZLMTTNV-XJKSGUPXSA-N 0 3 318.486 3.225 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001700857504 1202359986 /nfs/dbraw/zinc/35/99/86/1202359986.db2.gz DNUUPRCEJDUSCH-JSGCOSHPSA-N 0 3 304.356 3.018 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)C/C=C\c2ccc(F)cc2)[C@H]1C ZINC001700878578 1202364119 /nfs/dbraw/zinc/36/41/19/1202364119.db2.gz QYCLZIUYXSXVQY-MTWCHYJXSA-N 0 3 316.420 3.384 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2nccs2)C1 ZINC001700902209 1202368079 /nfs/dbraw/zinc/36/80/79/1202368079.db2.gz RRLWNUWRMPBHPS-UONOGXRCSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H](NCc2cncs2)C(C)(C)C1 ZINC001700946199 1202371941 /nfs/dbraw/zinc/37/19/41/1202371941.db2.gz XEXASYCJHGCZRT-ZFWWWQNUSA-N 0 3 321.490 3.072 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)CCCCC(C)C)CC1 ZINC001701011942 1202380924 /nfs/dbraw/zinc/38/09/24/1202380924.db2.gz XEWONSDQGHVHPN-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(C)CC)CC[C@@H]1C(F)(F)F ZINC001701014806 1202381721 /nfs/dbraw/zinc/38/17/21/1202381721.db2.gz HNNLLHFVNMNQDA-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C=C(\C)CC)CC[C@H]1C(F)(F)F ZINC001701015275 1202381858 /nfs/dbraw/zinc/38/18/58/1202381858.db2.gz PRPXUMRMWZVHBP-DXIMFJFMSA-N 0 3 318.383 3.288 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H](CC)C(C)C)CC2)CC1 ZINC001701032793 1202383790 /nfs/dbraw/zinc/38/37/90/1202383790.db2.gz LWIZKPSKWMQVFD-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)(F)F ZINC001707049630 1202569028 /nfs/dbraw/zinc/56/90/28/1202569028.db2.gz AIOMSIABSZLYAE-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001707052811 1202569924 /nfs/dbraw/zinc/56/99/24/1202569924.db2.gz RDRORFCKEIRPEB-QGZVFWFLSA-N 0 3 317.477 3.226 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001707059119 1202570726 /nfs/dbraw/zinc/57/07/26/1202570726.db2.gz UYVZZDNQUZHIAG-MRXNPFEDSA-N 0 3 321.465 3.408 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC=C)c1ccccc1 ZINC001707062163 1202571115 /nfs/dbraw/zinc/57/11/15/1202571115.db2.gz LECWPGMINPEHNE-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(C)c1C ZINC001707275715 1202580192 /nfs/dbraw/zinc/58/01/92/1202580192.db2.gz GLRZYKCDPNXSOL-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC=CCC1 ZINC001707434646 1202584484 /nfs/dbraw/zinc/58/44/84/1202584484.db2.gz NUXITVDVMOYQSM-FQEVSTJZSA-N 0 3 324.468 3.223 20 30 DGEDHN C#CCCCCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=C)Cl ZINC001712997490 1202609004 /nfs/dbraw/zinc/60/90/04/1202609004.db2.gz YQRGFNXZWRDZTQ-HOTGVXAUSA-N 0 3 310.869 3.292 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2cnccc2C)C1 ZINC001713022351 1202610853 /nfs/dbraw/zinc/61/08/53/1202610853.db2.gz BTUIEZSQEWKQIR-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001713062877 1202614158 /nfs/dbraw/zinc/61/41/58/1202614158.db2.gz WOZCJIDBZXALEJ-HNNXBMFYSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001713097670 1202616675 /nfs/dbraw/zinc/61/66/75/1202616675.db2.gz XDKXEJNUJSVVMI-YRPJOXRESA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC(F)(F)C(F)F)CC1 ZINC001713100846 1202617118 /nfs/dbraw/zinc/61/71/18/1202617118.db2.gz JENGSNRAUMBUPL-UHFFFAOYSA-N 0 3 324.362 3.166 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001713200523 1202626062 /nfs/dbraw/zinc/62/60/62/1202626062.db2.gz OYIOKCLSZONRDS-RVKKMQEKSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2C)C1 ZINC001713210991 1202627436 /nfs/dbraw/zinc/62/74/36/1202627436.db2.gz BKTMHCDOZDGGRU-INIZCTEOSA-N 0 3 318.436 3.429 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CC/C=C\c2ccccc2)C1 ZINC001713219715 1202628435 /nfs/dbraw/zinc/62/84/35/1202628435.db2.gz VPGKGINCNSLKGE-HXKWKUIBSA-N 0 3 324.468 3.332 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CCCCN2CCOC)CCCCC1 ZINC001713257559 1202632270 /nfs/dbraw/zinc/63/22/70/1202632270.db2.gz FFUQHJIMAJTXFE-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001713289101 1202636168 /nfs/dbraw/zinc/63/61/68/1202636168.db2.gz PEYCDSZZGRRASJ-FHERZECASA-N 0 3 319.449 3.102 20 30 DGEDHN C[C@H](CCNC(=O)[C@H](C)C(C)(C)C)NCc1ccccc1C#N ZINC001713410044 1202646944 /nfs/dbraw/zinc/64/69/44/1202646944.db2.gz DOMXUSZXTWZQCI-CABCVRRESA-N 0 3 315.461 3.225 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc(C)c(C)c1 ZINC001713421684 1202648065 /nfs/dbraw/zinc/64/80/65/1202648065.db2.gz SOQYGDCSPQTLOL-HNNXBMFYSA-N 0 3 308.853 3.083 20 30 DGEDHN CCCC1(C(=O)NCCN(CC)Cc2cccc(C#N)c2)CC1 ZINC001713492014 1202659336 /nfs/dbraw/zinc/65/93/36/1202659336.db2.gz IWXSTCYYQBALBN-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc(CC)cc1 ZINC001713500417 1202661331 /nfs/dbraw/zinc/66/13/31/1202661331.db2.gz KVSTXUYISQOEJP-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001713517780 1202663941 /nfs/dbraw/zinc/66/39/41/1202663941.db2.gz QIXWSDOAYAKDOL-STQMWFEESA-N 0 3 324.877 3.109 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001713538205 1202666501 /nfs/dbraw/zinc/66/65/01/1202666501.db2.gz GQMOTTQHZAWJQA-WMZOPIPTSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001713538204 1202666683 /nfs/dbraw/zinc/66/66/83/1202666683.db2.gz GQMOTTQHZAWJQA-SJLPKXTDSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2ccccc2s1 ZINC001713547654 1202667976 /nfs/dbraw/zinc/66/79/76/1202667976.db2.gz FSXSVOXTZBMNIJ-UHFFFAOYSA-N 0 3 314.454 3.366 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(C2CCC2)c1 ZINC001713551670 1202669197 /nfs/dbraw/zinc/66/91/97/1202669197.db2.gz VXCGCDWAQSYRAX-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001713553303 1202669600 /nfs/dbraw/zinc/66/96/00/1202669600.db2.gz KIQJDTIMGIAQPF-UHFFFAOYSA-N 0 3 310.441 3.329 20 30 DGEDHN Cc1cccc(C)c1CN(CCNC(=O)C#CC(C)C)C1CC1 ZINC001713556388 1202670226 /nfs/dbraw/zinc/67/02/26/1202670226.db2.gz MIDAHNUYLKZSAZ-UHFFFAOYSA-N 0 3 312.457 3.043 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc2cc(C)ccc2[nH]1)C1CC1 ZINC001713560420 1202670794 /nfs/dbraw/zinc/67/07/94/1202670794.db2.gz HJMCQODBGFVGPV-UHFFFAOYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCN(CCNC(=O)c1ccsc1C(F)(F)F)C1CC1 ZINC001713564551 1202671433 /nfs/dbraw/zinc/67/14/33/1202671433.db2.gz BFNCFYGKOSIOEB-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C)c(F)c(C)c1)C1CC1 ZINC001713565454 1202671710 /nfs/dbraw/zinc/67/17/10/1202671710.db2.gz MUEXDKPSZQJRFP-UHFFFAOYSA-N 0 3 304.409 3.213 20 30 DGEDHN C[C@H](NCCN(C)C(=O)C#CC(C)(C)C)c1ccc(F)c(F)c1 ZINC001713589437 1202672636 /nfs/dbraw/zinc/67/26/36/1202672636.db2.gz YNFNNVJLFMMYTJ-ZDUSSCGKSA-N 0 3 322.399 3.123 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CSC(C)C)c1ccccc1 ZINC001713696400 1202678292 /nfs/dbraw/zinc/67/82/92/1202678292.db2.gz DYKLFTXZLXMWHY-MRXNPFEDSA-N 0 3 306.475 3.151 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC001713700666 1202678548 /nfs/dbraw/zinc/67/85/48/1202678548.db2.gz LEEMDJWNNHBKKB-GOSISDBHSA-N 0 3 312.457 3.283 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](N[C@@H](C)COC)c1ccccc1 ZINC001713699970 1202678653 /nfs/dbraw/zinc/67/86/53/1202678653.db2.gz 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/nfs/dbraw/zinc/75/11/00/1202751100.db2.gz HEHLLMCNZVAJDO-SFHVURJKSA-N 0 3 316.489 3.365 20 30 DGEDHN CC[C@@H](CNC(=O)[C@@H](C)C1CCC1)NCc1ccc(C#N)s1 ZINC001714082116 1202765482 /nfs/dbraw/zinc/76/54/82/1202765482.db2.gz HTJWYFCYDKCVLC-JSGCOSHPSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cc(C)cc(C)c1 ZINC001714110296 1202781814 /nfs/dbraw/zinc/78/18/14/1202781814.db2.gz AQWYMLQTBRYGTA-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001714112881 1202784495 /nfs/dbraw/zinc/78/44/95/1202784495.db2.gz BDUBELOOHVECLM-HKUYNNGSSA-N 0 3 312.457 3.093 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(CC=C)CC=C ZINC001714143524 1202799278 /nfs/dbraw/zinc/79/92/78/1202799278.db2.gz DANHTPRCUXDQQI-RBUKOAKNSA-N 0 3 314.473 3.234 20 30 DGEDHN C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148217 1202803434 /nfs/dbraw/zinc/80/34/34/1202803434.db2.gz QRJYQAYEHJLIQD-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148217 1202803438 /nfs/dbraw/zinc/80/34/38/1202803438.db2.gz QRJYQAYEHJLIQD-HOTGVXAUSA-N 0 3 316.445 3.189 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001714229395 1202841121 /nfs/dbraw/zinc/84/11/21/1202841121.db2.gz MPWWLWBXTGOBAO-UONOGXRCSA-N 0 3 322.399 3.314 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cnc(C)s2)CCCC1 ZINC001714312400 1202878544 /nfs/dbraw/zinc/87/85/44/1202878544.db2.gz VQEJBYZJMPREIJ-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C2(C)CCCCC2)cc1 ZINC001714321047 1202881943 /nfs/dbraw/zinc/88/19/43/1202881943.db2.gz LUUDTGAWKICCQL-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C/C=C(/C)C(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001714399254 1202912178 /nfs/dbraw/zinc/91/21/78/1202912178.db2.gz YYKBINWHLHRHNC-CPOXWEDTSA-N 0 3 311.429 3.041 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC001714453037 1202942284 /nfs/dbraw/zinc/94/22/84/1202942284.db2.gz 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ZINC001714744069 1203114694 /nfs/dbraw/zinc/11/46/94/1203114694.db2.gz BHMBUUQSXZXAGD-GUYCJALGSA-N 0 3 323.868 3.274 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC1CC1)c1ccc(C(C)C)cc1 ZINC001714832859 1203143801 /nfs/dbraw/zinc/14/38/01/1203143801.db2.gz NJSRULHBDTYDGQ-LJQANCHMSA-N 0 3 312.457 3.380 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cnco1)c1ccc(C(C)C)cc1 ZINC001714832865 1203144034 /nfs/dbraw/zinc/14/40/34/1203144034.db2.gz BLRQNENNNOGWHM-INIZCTEOSA-N 0 3 313.401 3.045 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](CC)SC)c1ccccc1 ZINC001714837412 1203145828 /nfs/dbraw/zinc/14/58/28/1203145828.db2.gz RZEYOFXCXJXPQL-HOTGVXAUSA-N 0 3 306.475 3.151 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(C)cc2C)C1 ZINC001714865315 1203163563 /nfs/dbraw/zinc/16/35/63/1203163563.db2.gz ZPZBMMPYPVZGAP-GOSISDBHSA-N 0 3 312.457 3.253 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)(F)F ZINC001714987685 1203227774 /nfs/dbraw/zinc/22/77/74/1203227774.db2.gz UPANLQFZOQSBAO-KBPBESRZSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001715027414 1203242940 /nfs/dbraw/zinc/24/29/40/1203242940.db2.gz BBURSZPHVPWNBP-RTBURBONSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](C)C(C)C ZINC001715228727 1203299857 /nfs/dbraw/zinc/29/98/57/1203299857.db2.gz YQSCKXMUOQELKK-LSDHHAIUSA-N 0 3 300.874 3.392 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001715050513 1203255012 /nfs/dbraw/zinc/25/50/12/1203255012.db2.gz AEDAAVWPXISDDT-YJBOKZPZSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001715138691 1203283244 /nfs/dbraw/zinc/28/32/44/1203283244.db2.gz TZZUSBTUITYLSZ-VOMSXAGXSA-N 0 3 310.869 3.314 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2ccoc2C(C)C)cc1 ZINC001715198697 1203294413 /nfs/dbraw/zinc/29/44/13/1203294413.db2.gz FPCIRQQZVVYRDZ-UHFFFAOYSA-N 0 3 310.397 3.056 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)Cc1occc1C ZINC001715210526 1203296759 /nfs/dbraw/zinc/29/67/59/1203296759.db2.gz PZHQEZXVBXPJAP-HNNXBMFYSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1c[nH]cc1C ZINC001715251656 1203303395 /nfs/dbraw/zinc/30/33/95/1203303395.db2.gz LPEXKBKYRJFRKC-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN CCCCCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001715328526 1203316791 /nfs/dbraw/zinc/31/67/91/1203316791.db2.gz RDWRMRHANMPJPP-AWEZNQCLSA-N 0 3 319.424 3.214 20 30 DGEDHN CC(C)[C@@H](CNC(=O)[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001715487077 1203350616 /nfs/dbraw/zinc/35/06/16/1203350616.db2.gz MREFPAHOYXICPR-WOJBJXKFSA-N 0 3 324.468 3.125 20 30 DGEDHN CC(C)C(=O)NC[C@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC001715493485 1203351636 /nfs/dbraw/zinc/35/16/36/1203351636.db2.gz VGOSBTRRQLCIID-KRWDZBQOSA-N 0 3 320.864 3.078 20 30 DGEDHN CC(C)C(=O)NC[C@@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC001715493486 1203351733 /nfs/dbraw/zinc/35/17/33/1203351733.db2.gz VGOSBTRRQLCIID-QGZVFWFLSA-N 0 3 320.864 3.078 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001715526568 1203361620 /nfs/dbraw/zinc/36/16/20/1203361620.db2.gz WUMNLEFJPYFNLF-MSOLQXFVSA-N 0 3 318.436 3.286 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c(cccc2C)o1 ZINC001715539630 1203367409 /nfs/dbraw/zinc/36/74/09/1203367409.db2.gz NSPKHBUAUJAEKP-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCCC(F)(F)F)C(C)C ZINC001715663065 1203378463 /nfs/dbraw/zinc/37/84/63/1203378463.db2.gz UBCWQFYGWNZIOI-LLVKDONJSA-N 0 3 314.779 3.202 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H](C)c1ccco1)C(C)C ZINC001715689153 1203381006 /nfs/dbraw/zinc/38/10/06/1203381006.db2.gz DSJYXBIAHWXHAC-OCCSQVGLSA-N 0 3 312.841 3.256 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H](C)c1ccco1)C(C)C ZINC001715689152 1203381142 /nfs/dbraw/zinc/38/11/42/1203381142.db2.gz DSJYXBIAHWXHAC-JSGCOSHPSA-N 0 3 312.841 3.256 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCOc1c(C)cccc1C ZINC001715841617 1203396885 /nfs/dbraw/zinc/39/68/85/1203396885.db2.gz TZFFWWTZBJUEPI-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN C=CCOCCN(C)CCN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001715957768 1203410925 /nfs/dbraw/zinc/41/09/25/1203410925.db2.gz KQLHTZDTTGMCEQ-LPHOPBHVSA-N 0 3 324.509 3.042 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@H](Cc1ccccc1)C(C)C ZINC001715961024 1203411820 /nfs/dbraw/zinc/41/18/20/1203411820.db2.gz YKXQWWFKMVOITB-GOSISDBHSA-N 0 3 302.462 3.078 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001715965995 1203412610 /nfs/dbraw/zinc/41/26/10/1203412610.db2.gz CNFDCRSSRYYKKE-KBPBESRZSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCC(=O)N[C@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001716019070 1203424475 /nfs/dbraw/zinc/42/44/75/1203424475.db2.gz YCHYRJADZPIQNW-CHWSQXEVSA-N 0 3 310.388 3.429 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001716050751 1203435648 /nfs/dbraw/zinc/43/56/48/1203435648.db2.gz VAOMEMGHJGHMBM-XYGPEJJOSA-N 0 3 322.880 3.430 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1nccs1 ZINC001716068446 1203438455 /nfs/dbraw/zinc/43/84/55/1203438455.db2.gz 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/nfs/dbraw/zinc/45/94/64/1203459464.db2.gz BUMOMQGNPWVMSS-OSJSJHBBSA-N 0 3 316.420 3.287 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001716388646 1203464718 /nfs/dbraw/zinc/46/47/18/1203464718.db2.gz JGYGPRFUPFOYKZ-KEQVLUGWSA-N 0 3 318.848 3.142 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN[C@H](CC)c1ccc(F)cc1F ZINC001716394480 1203466117 /nfs/dbraw/zinc/46/61/17/1203466117.db2.gz VZHRGHJNSWHNKG-CXAGYDPISA-N 0 3 322.399 3.314 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2ccnc(Cl)c2)CCC1 ZINC001716411418 1203468550 /nfs/dbraw/zinc/46/85/50/1203468550.db2.gz KVRQCCXVTPZPQG-CYBMUJFWSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CC1(CC(=O)N[C@H](C)CNCc2cccnc2)CCCCC1 ZINC001716416151 1203469364 /nfs/dbraw/zinc/46/93/64/1203469364.db2.gz WMTLCZKEXVAKIA-MRXNPFEDSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCCNCC=C(Cl)Cl ZINC001716570498 1203503631 /nfs/dbraw/zinc/50/36/31/1203503631.db2.gz IOZRWCWOOWPGBJ-UHFFFAOYSA-N 0 3 307.265 3.346 20 30 DGEDHN CC(C)C[C@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001716459454 1203478123 /nfs/dbraw/zinc/47/81/23/1203478123.db2.gz JMELMUVCVMFDHA-KBPBESRZSA-N 0 3 321.490 3.286 20 30 DGEDHN CCC[C@](C)(CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001716458734 1203478153 /nfs/dbraw/zinc/47/81/53/1203478153.db2.gz UPYAGEHHHMMVHY-GUYCJALGSA-N 0 3 321.490 3.430 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001716504716 1203495600 /nfs/dbraw/zinc/49/56/00/1203495600.db2.gz SRUJVKMHJPALEJ-CHWSQXEVSA-N 0 3 306.475 3.109 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001716514114 1203498033 /nfs/dbraw/zinc/49/80/33/1203498033.db2.gz KRCKEIJDQFSJBF-ZBFHGGJFSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1nsc2ccccc21 ZINC001716542963 1203501078 /nfs/dbraw/zinc/50/10/78/1203501078.db2.gz BOBOKNRODDPCQD-UHFFFAOYSA-N 0 3 323.849 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cc(C)ccc1F)C1CC1 ZINC001716617867 1203507270 /nfs/dbraw/zinc/50/72/70/1203507270.db2.gz RPDFQGOXMXIIEB-KRWDZBQOSA-N 0 3 318.436 3.331 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC001716656123 1203515343 /nfs/dbraw/zinc/51/53/43/1203515343.db2.gz LIJNTRJYBRFJQT-OAJJDEHYSA-N 0 3 316.420 3.386 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)c1C ZINC001716670782 1203521159 /nfs/dbraw/zinc/52/11/59/1203521159.db2.gz HSYAZEQHUYYWEX-QGZVFWFLSA-N 0 3 317.477 3.456 20 30 DGEDHN C[C@@]1(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)CC=CCC1 ZINC001716683799 1203524341 /nfs/dbraw/zinc/52/43/41/1203524341.db2.gz QMBGRLAOMXLZEM-LJQANCHMSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001716690062 1203525389 /nfs/dbraw/zinc/52/53/89/1203525389.db2.gz SEAUDVMEWDLCEX-GFCCVEGCSA-N 0 3 322.399 3.476 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001716778601 1203541250 /nfs/dbraw/zinc/54/12/50/1203541250.db2.gz XRLAVLICTOYNCD-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCC(=O)NC1(C)CCN(Cc2ncccc2C)CC1 ZINC001716797188 1203544537 /nfs/dbraw/zinc/54/45/37/1203544537.db2.gz REALTNYOQIUZQP-UHFFFAOYSA-N 0 3 315.461 3.217 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC001716798313 1203544581 /nfs/dbraw/zinc/54/45/81/1203544581.db2.gz OSOVJCUWXUNZAW-OAHLLOKOSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CCC[C@H]1C)C1CCN(CC(=C)C)CC1 ZINC001716806768 1203545607 /nfs/dbraw/zinc/54/56/07/1203545607.db2.gz IMUHNNTWZCOYDD-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)CC(C)C)C2 ZINC001716830102 1203549325 /nfs/dbraw/zinc/54/93/25/1203549325.db2.gz JGZFEDOSXNVVRI-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC001716887803 1203561971 /nfs/dbraw/zinc/56/19/71/1203561971.db2.gz ZMVDYUQAIULXED-YRNVUSSQSA-N 0 3 324.468 3.332 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC2(F)F)cc1 ZINC001717114400 1203586639 /nfs/dbraw/zinc/58/66/39/1203586639.db2.gz DJVLTBSKXJDZQM-XJKSGUPXSA-N 0 3 320.383 3.022 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC2CC(F)(F)C2)cc1 ZINC001717115381 1203586647 /nfs/dbraw/zinc/58/66/47/1203586647.db2.gz MVYSNOPDZFIIFW-CYBMUJFWSA-N 0 3 320.383 3.022 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(C)cc2F)cc1 ZINC001717117049 1203586737 /nfs/dbraw/zinc/58/67/37/1203586737.db2.gz ZCCZODFXJUZFFA-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2sc(C)nc2C)CCC1 ZINC001717156052 1203592734 /nfs/dbraw/zinc/59/27/34/1203592734.db2.gz LVBAVOIWRZRCAS-UHFFFAOYSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](CCC)CC2CCCC2)CCC1 ZINC001717159296 1203593302 /nfs/dbraw/zinc/59/33/02/1203593302.db2.gz XKYLUZBCQYXGJL-QGZVFWFLSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](CC)c1ccccc1 ZINC001717214412 1203604787 /nfs/dbraw/zinc/60/47/87/1203604787.db2.gz VHTLNIYODOXTHS-SFHVURJKSA-N 0 3 314.473 3.374 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001717343828 1203622251 /nfs/dbraw/zinc/62/22/51/1203622251.db2.gz BNEVTOBJCMRTDJ-GOSISDBHSA-N 0 3 300.446 3.467 20 30 DGEDHN CC[C@H](C)CN1CCc2ccccc2[C@H]1CNC(=O)C#CC1CC1 ZINC001717344848 1203622684 /nfs/dbraw/zinc/62/26/84/1203622684.db2.gz ZOJNDTXOMKKMSS-OXJNMPFZSA-N 0 3 324.468 3.162 20 30 DGEDHN CC[C@@H](C)CN1CCc2ccccc2[C@@H]1CNC(=O)C#CC1CC1 ZINC001717344850 1203622964 /nfs/dbraw/zinc/62/29/64/1203622964.db2.gz ZOJNDTXOMKKMSS-UZLBHIALSA-N 0 3 324.468 3.162 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001717357450 1203624184 /nfs/dbraw/zinc/62/41/84/1203624184.db2.gz PLGCQEPNQORNBD-UHFFFAOYSA-N 0 3 300.874 3.346 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001717366394 1203626804 /nfs/dbraw/zinc/62/68/04/1203626804.db2.gz ZKJBEFABWSZZMM-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)c(Cl)c1 ZINC001717371339 1203628307 /nfs/dbraw/zinc/62/83/07/1203628307.db2.gz OJEKSSJCSPEQLO-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)C[C@@H]1CCCCO1 ZINC001717372620 1203628534 /nfs/dbraw/zinc/62/85/34/1203628534.db2.gz BVJNIBHHZPJPLD-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)=CC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397376 1203635794 /nfs/dbraw/zinc/63/57/94/1203635794.db2.gz RJHOGTMTMKPSEV-GJZGRUSLSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1cnc(C)s1 ZINC001717409491 1203638365 /nfs/dbraw/zinc/63/83/65/1203638365.db2.gz ORTQVUXZFGHJPI-NEPJUHHUSA-N 0 3 309.479 3.037 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001717438531 1203644313 /nfs/dbraw/zinc/64/43/13/1203644313.db2.gz IDOGGWZCEAHPFJ-CHWSQXEVSA-N 0 3 319.474 3.183 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(C)c1 ZINC001717467350 1203653048 /nfs/dbraw/zinc/65/30/48/1203653048.db2.gz AUELUXAYMFYBSO-QGZVFWFLSA-N 0 3 300.446 3.125 20 30 DGEDHN CC(C)c1ccc(CN(C)[C@H](C)CNC(=O)C#CC2CC2)cc1 ZINC001717472428 1203655382 /nfs/dbraw/zinc/65/53/82/1203655382.db2.gz MKAKJQUUQOOARZ-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001717557606 1203681609 /nfs/dbraw/zinc/68/16/09/1203681609.db2.gz WZJKDNSAHDTFJQ-LSDHHAIUSA-N 0 3 318.436 3.332 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2(CC)CCCCC2)C(C)(C)C1 ZINC001717588649 1203687630 /nfs/dbraw/zinc/68/76/30/1203687630.db2.gz FAKSLPRWCRYIFA-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN CCC(C)(C)C(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001717737575 1203707208 /nfs/dbraw/zinc/70/72/08/1203707208.db2.gz BDYGZTOPXYZMPD-HNNXBMFYSA-N 0 3 318.436 3.050 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](CCC)CC1CCCC1 ZINC001717745635 1203708951 /nfs/dbraw/zinc/70/89/51/1203708951.db2.gz ZMIYRCBRYYFAQA-AEFFLSMTSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC001717748986 1203709340 /nfs/dbraw/zinc/70/93/40/1203709340.db2.gz UCCZWVRWGKZXIM-CQSZACIVSA-N 0 3 314.454 3.283 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001717794331 1203712957 /nfs/dbraw/zinc/71/29/57/1203712957.db2.gz WAYBEPTVEMCLQM-WMLDXEAASA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001717798546 1203713811 /nfs/dbraw/zinc/71/38/11/1203713811.db2.gz PTRLRLMEUFPYGS-WMLDXEAASA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2cccs2)[C@@H]1C ZINC001717860493 1203724227 /nfs/dbraw/zinc/72/42/27/1203724227.db2.gz MDVINBGFLTVVMW-HOCLYGCPSA-N 0 3 306.475 3.226 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(C)cc(Cl)c1)C(C)C ZINC001717949874 1203733455 /nfs/dbraw/zinc/73/34/55/1203733455.db2.gz KLMYHDKBSYEAHL-UHFFFAOYSA-N 0 3 320.864 3.454 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc2ccncc21)C(C)C ZINC001717951943 1203734052 /nfs/dbraw/zinc/73/40/52/1203734052.db2.gz LSMLKMVUZKOKKG-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN CC[C@@H](F)CN1CCC(C2(NC(=O)C#CC(C)(C)C)CC2)CC1 ZINC001718002952 1203742892 /nfs/dbraw/zinc/74/28/92/1203742892.db2.gz MCRHOTSWCWZWEM-MRXNPFEDSA-N 0 3 322.468 3.145 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)[C@@H](C)CC)CC2)CC1 ZINC001718004630 1203742901 /nfs/dbraw/zinc/74/29/01/1203742901.db2.gz YZPATICKYACIPL-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)[C@H](C)CC)CC2)CC1 ZINC001718004629 1203742919 /nfs/dbraw/zinc/74/29/19/1203742919.db2.gz YZPATICKYACIPL-HZPDHXFCSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001723429839 1203971057 /nfs/dbraw/zinc/97/10/57/1203971057.db2.gz PYJAGUGTNJNZEI-HIFRSBDPSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001723468472 1203976095 /nfs/dbraw/zinc/97/60/95/1203976095.db2.gz BBTIZJASIDSBOR-HOCLYGCPSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001723472288 1203976636 /nfs/dbraw/zinc/97/66/36/1203976636.db2.gz FRJWNXUSAACGSY-DOTOQJQBSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2ccccc2)CCCC1 ZINC001723474800 1203977527 /nfs/dbraw/zinc/97/75/27/1203977527.db2.gz YPMVZVJDEKSXNO-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001723484970 1203978042 /nfs/dbraw/zinc/97/80/42/1203978042.db2.gz SBBPXMOHFRBTSX-JSGCOSHPSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccc(F)cc2)CC1 ZINC001723553096 1203982028 /nfs/dbraw/zinc/98/20/28/1203982028.db2.gz WKDNNHFYGUZBBQ-CQSZACIVSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C(C)CN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC(C)=O)C1 ZINC001723610142 1203985456 /nfs/dbraw/zinc/98/54/56/1203985456.db2.gz ZJRFJJKEJHTEAL-QZTJIDSGSA-N 0 3 320.477 3.025 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001723680119 1203988593 /nfs/dbraw/zinc/98/85/93/1203988593.db2.gz RFRUEBWENKOKCD-HKUYNNGSSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](CC)CCCCC)C2)C1 ZINC001723727800 1203990274 /nfs/dbraw/zinc/99/02/74/1203990274.db2.gz WSQCWMYNRVHOSF-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CC)CCCCC)C2)C1 ZINC001723727801 1203990417 /nfs/dbraw/zinc/99/04/17/1203990417.db2.gz WSQCWMYNRVHOSF-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001723885294 1203997668 /nfs/dbraw/zinc/99/76/68/1203997668.db2.gz OTFRYTQJHCAYDR-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001723930810 1203999069 /nfs/dbraw/zinc/99/90/69/1203999069.db2.gz RBWGGEUZKPSHAT-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CCC(=O)NC1(C)CCN(Cc2cccnc2C)CC1 ZINC001724006190 1204001307 /nfs/dbraw/zinc/00/13/07/1204001307.db2.gz LFZKLIINYCXHJZ-UHFFFAOYSA-N 0 3 315.461 3.217 20 30 DGEDHN C#CCN(C(=O)CCC(C)C)C1CCN(CC=C(C)C)CC1 ZINC001724029763 1204002335 /nfs/dbraw/zinc/00/23/35/1204002335.db2.gz VPYWJPWGYGNLIP-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)c(C)c1)C1CCN(CC=C)CC1 ZINC001724065368 1204003170 /nfs/dbraw/zinc/00/31/70/1204003170.db2.gz TXZBBGBEJQNUOS-UHFFFAOYSA-N 0 3 310.441 3.029 20 30 DGEDHN C#CCCCC(=O)N[C@@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001724150374 1204009636 /nfs/dbraw/zinc/00/96/36/1204009636.db2.gz CMABCHDOEMVPLZ-HNNXBMFYSA-N 0 3 318.383 3.103 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2ccc(C)cc2)C1 ZINC001724166588 1204010471 /nfs/dbraw/zinc/01/04/71/1204010471.db2.gz YTVALAVPGIMOFZ-IBGZPJMESA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001724174592 1204011947 /nfs/dbraw/zinc/01/19/47/1204011947.db2.gz JHVSMNGIGBXFKE-MJGOQNOKSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC001724306841 1204019733 /nfs/dbraw/zinc/01/97/33/1204019733.db2.gz MSDGKGVISWYUKB-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(C)sc2C)C1 ZINC001724329626 1204022551 /nfs/dbraw/zinc/02/25/51/1204022551.db2.gz WGFZMDCDBMSIMH-SFHVURJKSA-N 0 3 318.486 3.220 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CC(C)C ZINC001724653633 1204036291 /nfs/dbraw/zinc/03/62/91/1204036291.db2.gz KORXJMPNOUQOIW-FGTMMUONSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CCC(C)(F)F)C1 ZINC001724711046 1204039266 /nfs/dbraw/zinc/03/92/66/1204039266.db2.gz LVLTZHHXYZGQME-LBPRGKRZSA-N 0 3 308.800 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](CC)CC(F)F)C1 ZINC001724717604 1204039370 /nfs/dbraw/zinc/03/93/70/1204039370.db2.gz WAXFIMJLCFNIPR-CHWSQXEVSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001724727760 1204040011 /nfs/dbraw/zinc/04/00/11/1204040011.db2.gz PTJWRYJLXBMBQP-LBPRGKRZSA-N 0 3 320.811 3.003 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC001724741223 1204041660 /nfs/dbraw/zinc/04/16/60/1204041660.db2.gz NPHOUWPEANMTDF-HNNXBMFYSA-N 0 3 324.399 3.430 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001724859886 1204060142 /nfs/dbraw/zinc/06/01/42/1204060142.db2.gz KFRSXUAYWVHTPZ-LJQANCHMSA-N 0 3 304.478 3.317 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@H](CC)OC)cc2C1 ZINC001724922075 1204066226 /nfs/dbraw/zinc/06/62/26/1204066226.db2.gz NLDHKRGVWYAXOU-SFHVURJKSA-N 0 3 316.445 3.010 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@@H](C)C1 ZINC001725000475 1204077204 /nfs/dbraw/zinc/07/72/04/1204077204.db2.gz YWDTXFFPIOENFS-IRXDYDNUSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1 ZINC001725061030 1204088060 /nfs/dbraw/zinc/08/80/60/1204088060.db2.gz VDHRWAAYIZHGMC-AWEZNQCLSA-N 0 3 321.490 3.064 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001725072279 1204089392 /nfs/dbraw/zinc/08/93/92/1204089392.db2.gz GRLQNEYWHQJDHE-UHFFFAOYSA-N 0 3 318.848 3.026 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC001725080914 1204090286 /nfs/dbraw/zinc/09/02/86/1204090286.db2.gz BLGPRMGSUGKNDU-KRWDZBQOSA-N 0 3 304.409 3.215 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001725100654 1204094296 /nfs/dbraw/zinc/09/42/96/1204094296.db2.gz ZDZDOWIMCKFNDM-OLZOCXBDSA-N 0 3 321.490 3.285 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001725103472 1204095305 /nfs/dbraw/zinc/09/53/05/1204095305.db2.gz MVNHSCSQHHPWDA-CHWSQXEVSA-N 0 3 319.474 3.183 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001725166570 1204108784 /nfs/dbraw/zinc/10/87/84/1204108784.db2.gz YUDBAGMBBBGEPJ-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725172329 1204110199 /nfs/dbraw/zinc/11/01/99/1204110199.db2.gz KVMDPNCASCANJE-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN CC[C@@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001725184588 1204114815 /nfs/dbraw/zinc/11/48/15/1204114815.db2.gz HBUZALSKHCWQNT-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H](C)N(C)CC=C(C)C)c1ccccc1 ZINC001725197874 1204118098 /nfs/dbraw/zinc/11/80/98/1204118098.db2.gz WNCIILMGTIYHDS-WMZOPIPTSA-N 0 3 300.446 3.359 20 30 DGEDHN C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001725207463 1204119096 /nfs/dbraw/zinc/11/90/96/1204119096.db2.gz GZVDGAQCGMREKR-HNNXBMFYSA-N 0 3 324.852 3.221 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001725242357 1204126116 /nfs/dbraw/zinc/12/61/16/1204126116.db2.gz MDZWDXGWIGEERO-WHXUGTBJSA-N 0 3 324.468 3.392 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C2)C1 ZINC001725344855 1204138954 /nfs/dbraw/zinc/13/89/54/1204138954.db2.gz HZPLARJMTQCAOM-JKSUJKDBSA-N 0 3 306.494 3.415 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1coc(C(F)F)c1 ZINC001725405068 1204146316 /nfs/dbraw/zinc/14/63/16/1204146316.db2.gz ZSNJHTQRWRNEQY-JTQLQIEISA-N 0 3 320.767 3.458 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001725504012 1204160438 /nfs/dbraw/zinc/16/04/38/1204160438.db2.gz IDOREISMFREEPY-YVEFUNNKSA-N 0 3 323.506 3.299 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001725573938 1204169818 /nfs/dbraw/zinc/16/98/18/1204169818.db2.gz UGNOYYVMTNURQG-MAUKXSAKSA-N 0 3 316.420 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001725596186 1204175574 /nfs/dbraw/zinc/17/55/74/1204175574.db2.gz LNIMREZMVDTKPS-GOEBONIOSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001725618012 1204180978 /nfs/dbraw/zinc/18/09/78/1204180978.db2.gz FKMMISYIQFWRCH-OLZOCXBDSA-N 0 3 310.438 3.436 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001725762952 1204215631 /nfs/dbraw/zinc/21/56/31/1204215631.db2.gz IWVXCHLEGZNWIV-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccc(F)cc2)C1 ZINC001725781660 1204220966 /nfs/dbraw/zinc/22/09/66/1204220966.db2.gz UDXQFLPYAGOKAV-UHFFFAOYSA-N 0 3 324.827 3.090 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC2)CC1 ZINC001725794505 1204223458 /nfs/dbraw/zinc/22/34/58/1204223458.db2.gz LDDFCRRLRJDELQ-HZPDHXFCSA-N 0 3 318.505 3.299 20 30 DGEDHN C[C@@H](CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1)C1CC1 ZINC001725790490 1204223642 /nfs/dbraw/zinc/22/36/42/1204223642.db2.gz VKPHXXIQEQGDIX-DZIBYMRMSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)[C@H](C)CC)c(F)c1 ZINC001725832758 1204229610 /nfs/dbraw/zinc/22/96/10/1204229610.db2.gz GGHCONZXEJJYIW-KGLIPLIRSA-N 0 3 306.425 3.400 20 30 DGEDHN CC(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1Cl ZINC001731290077 1204363645 /nfs/dbraw/zinc/36/36/45/1204363645.db2.gz QKMKJODKRXCGEN-KBXCAEBGSA-N 0 3 318.848 3.071 20 30 DGEDHN Cc1cc(CN2CCC(N(C)C(=O)C#CC(C)C)CC2)cs1 ZINC001731349496 1204381067 /nfs/dbraw/zinc/38/10/67/1204381067.db2.gz ZVEBUPOUANDAJC-UHFFFAOYSA-N 0 3 318.486 3.139 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001731386771 1204391856 /nfs/dbraw/zinc/39/18/56/1204391856.db2.gz BKQJWICBTSGKHY-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001731386768 1204391930 /nfs/dbraw/zinc/39/19/30/1204391930.db2.gz BKQJWICBTSGKHY-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001731415477 1204403995 /nfs/dbraw/zinc/40/39/95/1204403995.db2.gz OTBWJVTXBYDRKB-FQEVSTJZSA-N 0 3 324.468 3.175 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001731452652 1204417375 /nfs/dbraw/zinc/41/73/75/1204417375.db2.gz WVZRWLDOWLLXDH-HDJSIYSDSA-N 0 3 308.372 3.058 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001731463665 1204421307 /nfs/dbraw/zinc/42/13/07/1204421307.db2.gz UXOGPRFHENOXNY-PCUXOXFFSA-N 0 3 310.869 3.453 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CNCc2ncc(C)s2)C1 ZINC001731525572 1204442082 /nfs/dbraw/zinc/44/20/82/1204442082.db2.gz WQEZVICIJBNEDI-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001731688006 1204505589 /nfs/dbraw/zinc/50/55/89/1204505589.db2.gz LQTINTMVJGTUBA-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001731824090 1204586504 /nfs/dbraw/zinc/58/65/04/1204586504.db2.gz OGLHELYDIZOAKM-KEEQEYLASA-N 0 3 310.441 3.084 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001731857263 1204604867 /nfs/dbraw/zinc/60/48/67/1204604867.db2.gz KEYYCIVYJYCFCG-MRXNPFEDSA-N 0 3 318.436 3.429 20 30 DGEDHN CCCN(CCNC(=O)/C=C(/C)CC)Cc1ccc(C#N)cc1 ZINC001731863719 1204607753 /nfs/dbraw/zinc/60/77/53/1204607753.db2.gz MBWQPUDVBMGMBI-SSZFMOIBSA-N 0 3 313.445 3.243 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)OC1CCCCCC1)C1CC1 ZINC001731881108 1204621792 /nfs/dbraw/zinc/62/17/92/1204621792.db2.gz MROPQWHBQIASKH-INIZCTEOSA-N 0 3 322.493 3.271 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001731969589 1204637926 /nfs/dbraw/zinc/63/79/26/1204637926.db2.gz KWXFZAYYYHVWGT-LJQANCHMSA-N 0 3 315.461 3.323 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)C#N)c1ccc(C(C)C)cc1 ZINC001732018178 1204650880 /nfs/dbraw/zinc/65/08/80/1204650880.db2.gz SZFZLAJYDIRPIT-CRAIPNDOSA-N 0 3 313.445 3.293 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCCCO2)C1 ZINC001732080565 1204684546 /nfs/dbraw/zinc/68/45/46/1204684546.db2.gz VMVSJDAQWRPTJU-QZTJIDSGSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2n1C ZINC001732146988 1204713063 /nfs/dbraw/zinc/71/30/63/1204713063.db2.gz FQLFPKCLAVLTDP-IRXDYDNUSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2ccc(Cl)nc2)C1 ZINC001732209482 1204750303 /nfs/dbraw/zinc/75/03/03/1204750303.db2.gz BZZZSBIHQFQRTF-AWEZNQCLSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001732242938 1204768040 /nfs/dbraw/zinc/76/80/40/1204768040.db2.gz OUOBBAKKMNEFOO-AWEZNQCLSA-N 0 3 317.216 3.174 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001732307453 1204785755 /nfs/dbraw/zinc/78/57/55/1204785755.db2.gz CLNNVVGCEOBUFP-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C23CCC(CC2)CC3)cc1 ZINC001732318557 1204789685 /nfs/dbraw/zinc/78/96/85/1204789685.db2.gz OWMDWLUCYZYBIO-UHFFFAOYSA-N 0 3 324.468 3.386 20 30 DGEDHN CCC(=CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1)CC ZINC001732327277 1204793292 /nfs/dbraw/zinc/79/32/92/1204793292.db2.gz QSGYQSQQFAQIEL-HXUWFJFHSA-N 0 3 324.468 3.365 20 30 DGEDHN CC(C)(C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001732328497 1204794012 /nfs/dbraw/zinc/79/40/12/1204794012.db2.gz LECNZHLVLGZSCF-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)CN[C@H](C)c1c(F)cccc1F ZINC001732338708 1204797732 /nfs/dbraw/zinc/79/77/32/1204797732.db2.gz KFGCIPHNOBFOIG-UONOGXRCSA-N 0 3 322.399 3.171 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)s1 ZINC001732411669 1204828326 /nfs/dbraw/zinc/82/83/26/1204828326.db2.gz YWNLYBCBTLOLAM-LLVKDONJSA-N 0 3 300.855 3.304 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccccc1Cl)N(C)C(=O)C#CC1CC1 ZINC001732418822 1204831547 /nfs/dbraw/zinc/83/15/47/1204831547.db2.gz JIWVLBQGXGDRMX-KGLIPLIRSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2ccc(F)c(F)c2)C1 ZINC001732438567 1204842058 /nfs/dbraw/zinc/84/20/58/1204842058.db2.gz PVUBOAGDULTKON-CYBMUJFWSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H](C)c1ccncc1)C(C)C ZINC001732556186 1204894324 /nfs/dbraw/zinc/89/43/24/1204894324.db2.gz GHQWMSZOMLXYIG-BBRMVZONSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H](C)c1ccncc1)C(C)C ZINC001732556187 1204894655 /nfs/dbraw/zinc/89/46/55/1204894655.db2.gz GHQWMSZOMLXYIG-CJNGLKHVSA-N 0 3 323.868 3.058 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCN[C@H](C)c1c(F)cccc1F ZINC001732690624 1204930030 /nfs/dbraw/zinc/93/00/30/1204930030.db2.gz YOEBXTCPZWKJHA-UONOGXRCSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(F)cc(C)cc1F ZINC001732708552 1204932142 /nfs/dbraw/zinc/93/21/42/1204932142.db2.gz BWRLFLPHTSTAAW-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001732972466 1204969229 /nfs/dbraw/zinc/96/92/29/1204969229.db2.gz IAJZXNDEGJHUSW-CQSZACIVSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@@H](C)CNC/C=C\Cl)c1ccccc1 ZINC001733026702 1204985208 /nfs/dbraw/zinc/98/52/08/1204985208.db2.gz KAZWTQTYBZSAED-SGHIPCAESA-N 0 3 306.837 3.193 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733031041 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C=C(Cl)CNCCCN(C)C(=O)c1c(C)cc(C)cc1C ZINC001733143655 1205029976 /nfs/dbraw/zinc/02/99/76/1205029976.db2.gz BUEHIHFERBCUPZ-UHFFFAOYSA-N 0 3 308.853 3.416 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ccc(Cl)nc1)C1CC1 ZINC001733173427 1205033622 /nfs/dbraw/zinc/03/36/22/1205033622.db2.gz YGANMWJTXXXLTB-OAHLLOKOSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001733216610 1205047401 /nfs/dbraw/zinc/04/74/01/1205047401.db2.gz XKAHEPQPOYABIR-GDBMZVCRSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1cc(Cl)cs1 ZINC001733225764 1205055045 /nfs/dbraw/zinc/05/50/45/1205055045.db2.gz BBXRKVPBZOSNAN-CYBMUJFWSA-N 0 3 312.866 3.101 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001733253723 1205069886 /nfs/dbraw/zinc/06/98/86/1205069886.db2.gz JTSUBCRTFUICAB-UHFFFAOYSA-N 0 3 316.420 3.066 20 30 DGEDHN C=CC[N@@H+](CCNC(=O)c1ccccc1[O-])C1CCCCCC1 ZINC001733275394 1205078345 /nfs/dbraw/zinc/07/83/45/1205078345.db2.gz IHMICCHAKGXNQA-UHFFFAOYSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CC[N@H+](CCNC(=O)c1ccccc1[O-])C1CCCCCC1 ZINC001733275394 1205078348 /nfs/dbraw/zinc/07/83/48/1205078348.db2.gz IHMICCHAKGXNQA-UHFFFAOYSA-N 0 3 316.445 3.333 20 30 DGEDHN CCC[C@@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001733337447 1205099370 /nfs/dbraw/zinc/09/93/70/1205099370.db2.gz WAVPZUGZQNTOES-KGLIPLIRSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCc1scnc1C ZINC001733349703 1205102087 /nfs/dbraw/zinc/10/20/87/1205102087.db2.gz ZJQXDUCTXQAIIU-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001733362932 1205107289 /nfs/dbraw/zinc/10/72/89/1205107289.db2.gz ZJJAHALWBSYJGD-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001733390079 1205114122 /nfs/dbraw/zinc/11/41/22/1205114122.db2.gz CIAALKVQAZRNOR-XBMZPMPPSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001733409538 1205121505 /nfs/dbraw/zinc/12/15/05/1205121505.db2.gz AMIVWGRBIJUJJP-FQEVSTJZSA-N 0 3 314.473 3.293 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)C(F)=C1CCCC1 ZINC001733569762 1205165453 /nfs/dbraw/zinc/16/54/53/1205165453.db2.gz IXFCBXCKTGUGFJ-UHFFFAOYSA-N 0 3 314.404 3.036 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1CC ZINC001733570942 1205165524 /nfs/dbraw/zinc/16/55/24/1205165524.db2.gz GIEGAELUTHYAER-RTBURBONSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001733676179 1205181127 /nfs/dbraw/zinc/18/11/27/1205181127.db2.gz LHHJVSCRDGNVIK-MYBQVCMBSA-N 0 3 324.896 3.393 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C)cc2)cc1 ZINC001733682027 1205183478 /nfs/dbraw/zinc/18/34/78/1205183478.db2.gz AAFRVHDHECSDRT-INIZCTEOSA-N 0 3 306.409 3.209 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC001733685317 1205184695 /nfs/dbraw/zinc/18/46/95/1205184695.db2.gz XVWBKQCWYHFDFH-BPAFIMBUSA-N 0 3 310.441 3.167 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C3(CC(C)C)CCC3)C2)CC1 ZINC001733695810 1205188270 /nfs/dbraw/zinc/18/82/70/1205188270.db2.gz BVJLNZFSSHJDDW-UHFFFAOYSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NCC=C(Cl)Cl)[C@@H](C)C1 ZINC001733849783 1205230446 /nfs/dbraw/zinc/23/04/46/1205230446.db2.gz JZPBSMRBLORZKQ-RYUDHWBXSA-N 0 3 319.276 3.344 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC(C)(NCc2ocnc2C)CC1 ZINC001733865558 1205234465 /nfs/dbraw/zinc/23/44/65/1205234465.db2.gz NXWRGZHGMXBIGC-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CC(C2CC2)C2CC2)C(C)(C)C1 ZINC001733877194 1205241279 /nfs/dbraw/zinc/24/12/79/1205241279.db2.gz BMLVVZXFYLVYRJ-QGZVFWFLSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001733891060 1205242694 /nfs/dbraw/zinc/24/26/94/1205242694.db2.gz DZONGEOHPBLIFI-CZUORRHYSA-N 0 3 306.475 3.492 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CCCC2CCCCC2)C[C@@H]1C ZINC001733900133 1205247266 /nfs/dbraw/zinc/24/72/66/1205247266.db2.gz JWIAUYCZNOFISF-WMZOPIPTSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC ZINC001733906546 1205250248 /nfs/dbraw/zinc/25/02/48/1205250248.db2.gz AMRCGBZIKOQTSW-GOSISDBHSA-N 0 3 300.446 3.468 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc2ccccc2o1 ZINC001733966640 1205273624 /nfs/dbraw/zinc/27/36/24/1205273624.db2.gz UMYBFVGHBADKJN-KGLIPLIRSA-N 0 3 300.402 3.382 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)CCC1 ZINC001733990057 1205280626 /nfs/dbraw/zinc/28/06/26/1205280626.db2.gz BIVVLNZGGLDVTK-IRXDYDNUSA-N 0 3 312.457 3.101 20 30 DGEDHN CCC(CC)CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001733999778 1205284281 /nfs/dbraw/zinc/28/42/81/1205284281.db2.gz VZKWFIDPRTVTOR-IAGOWNOFSA-N 0 3 314.473 3.347 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)C/C=C/c1ccccc1 ZINC001734039967 1205300104 /nfs/dbraw/zinc/30/01/04/1205300104.db2.gz VCZHGMMSMUEEKW-YRYLYKBFSA-N 0 3 300.446 3.493 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccsc1C(F)(F)F ZINC001734059273 1205309746 /nfs/dbraw/zinc/30/97/46/1205309746.db2.gz NUWSCLSIMOGZSO-VIFPVBQESA-N 0 3 306.353 3.003 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C(CC)(CC)c1ccccc1 ZINC001734067020 1205314770 /nfs/dbraw/zinc/31/47/70/1205314770.db2.gz YVXBMWAIUJLAII-MRXNPFEDSA-N 0 3 302.462 3.367 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001734118947 1205329051 /nfs/dbraw/zinc/32/90/51/1205329051.db2.gz KEPCZHODBIMDBQ-KXBFYZLASA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001734215066 1205344541 /nfs/dbraw/zinc/34/45/41/1205344541.db2.gz HMXCJQQZIADYGY-BFYDXBDKSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCCCC1(F)F ZINC001734247698 1205349361 /nfs/dbraw/zinc/34/93/61/1205349361.db2.gz REMRPXSLHGOUQB-STQMWFEESA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC001734259814 1205350771 /nfs/dbraw/zinc/35/07/71/1205350771.db2.gz JFAOMCKTJWEOHU-KGLIPLIRSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc2c(c1)CCC2 ZINC001734263812 1205351139 /nfs/dbraw/zinc/35/11/39/1205351139.db2.gz DTBXGNOAGNUYQF-CQSZACIVSA-N 0 3 320.864 3.416 20 30 DGEDHN C[C@H](CN(C)C(=O)C[C@H]1C=CCCC1)NCC#Cc1ccccc1 ZINC001734332163 1205365812 /nfs/dbraw/zinc/36/58/12/1205365812.db2.gz GVIQQIIPPWXJLP-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001734348969 1205369405 /nfs/dbraw/zinc/36/94/05/1205369405.db2.gz LYZDNJGPQMNANO-ZWKOTPCHSA-N 0 3 314.473 3.301 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@H]1C ZINC001734397292 1205372445 /nfs/dbraw/zinc/37/24/45/1205372445.db2.gz ALQAKFIBHCAVRA-RHSMWYFYSA-N 0 3 318.848 3.223 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cnccc2C)C[C@H]1C ZINC001734423094 1205375307 /nfs/dbraw/zinc/37/53/07/1205375307.db2.gz WALZCQHLLDAWOV-NVXWUHKLSA-N 0 3 315.461 3.071 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C=C)c3ccccc3)CCC[C@@H]12 ZINC001734447570 1205378490 /nfs/dbraw/zinc/37/84/90/1205378490.db2.gz ZSHOYDYGMIAACU-YFVAEKQCSA-N 0 3 322.452 3.093 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCOc2ccccc2)[C@@H]1C ZINC001734450367 1205379091 /nfs/dbraw/zinc/37/90/91/1205379091.db2.gz MIPFYVZYSZBMMV-SJLPKXTDSA-N 0 3 316.445 3.001 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOCC(C)C)[C@H]1C ZINC001734454066 1205380176 /nfs/dbraw/zinc/38/01/76/1205380176.db2.gz BWLWDWMXUAIXKZ-DLBZAZTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCC(F)(F)F)[C@H]1C ZINC001734461864 1205381601 /nfs/dbraw/zinc/38/16/01/1205381601.db2.gz RWZGWBAXZXZAQO-CHWSQXEVSA-N 0 3 306.372 3.264 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC(C)C)CC[C@@H]1C(F)(F)F ZINC001734587976 1205401979 /nfs/dbraw/zinc/40/19/79/1205401979.db2.gz RHKCGZRLEZYYKA-UONOGXRCSA-N 0 3 320.399 3.368 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)CCC(C)(C)C)CC2)CC1 ZINC001734605219 1205404976 /nfs/dbraw/zinc/40/49/76/1205404976.db2.gz XXWPDYLRGOXLRM-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001666973065 1197303277 /nfs/dbraw/zinc/30/32/77/1197303277.db2.gz ZHOASQLGDWDBMA-KBPBESRZSA-N 0 3 319.474 3.159 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001671868322 1197577062 /nfs/dbraw/zinc/57/70/62/1197577062.db2.gz SJGNUFQEBOPFLX-INIZCTEOSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Br)CNCCC[C@H](C)NC(=O)[C@H](C)C(C)C ZINC001717686537 1203698842 /nfs/dbraw/zinc/69/88/42/1203698842.db2.gz DXRRYIJWIXSZMP-QWHCGFSZSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209183517 1081695011 /nfs/dbraw/zinc/69/50/11/1081695011.db2.gz NVKMTEAXSKHTCN-OLZOCXBDSA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)[C@H](C)c1cccc(C)c1 ZINC001480857723 1081577245 /nfs/dbraw/zinc/57/72/45/1081577245.db2.gz ZRWFEUMCGQSMFN-QGZVFWFLSA-N 0 3 300.446 3.298 20 30 DGEDHN C#C[C@](C)(CC)Nc1nc(N2CCOCC2)cc2ccccc21 ZINC001169691866 1081630747 /nfs/dbraw/zinc/63/07/47/1081630747.db2.gz GYDBKADZCZNOIZ-LJQANCHMSA-N 0 3 309.413 3.285 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1nc(C)c(C)s1 ZINC001169705742 1081634936 /nfs/dbraw/zinc/63/49/36/1081634936.db2.gz MSWDEFAEUFFFIX-ZDUSSCGKSA-N 0 3 323.506 3.491 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)CCc1ccccc1F ZINC001266320999 1081662685 /nfs/dbraw/zinc/66/26/85/1081662685.db2.gz PGCCARBHPBKITK-SFHVURJKSA-N 0 3 306.425 3.019 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-c2ccco2)s1 ZINC001169910736 1081675665 /nfs/dbraw/zinc/67/56/65/1081675665.db2.gz DEWIYWOFYXVZLU-UHFFFAOYSA-N 0 3 324.833 3.470 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001266344084 1081685450 /nfs/dbraw/zinc/68/54/50/1081685450.db2.gz CMQYIPOCDYIEHB-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001266366540 1081707155 /nfs/dbraw/zinc/70/71/55/1081707155.db2.gz URQVFPPRICIAMA-KRWDZBQOSA-N 0 3 316.420 3.263 20 30 DGEDHN CCN(CCNC(=O)c1cccc(C)c1)Cc1ccc(C#N)cc1 ZINC001266375776 1081715926 /nfs/dbraw/zinc/71/59/26/1081715926.db2.gz UUFBWCLHOPQYNY-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@@H]1C[C@@H]1C)CC2 ZINC001209416519 1081734740 /nfs/dbraw/zinc/73/47/40/1081734740.db2.gz SIDIAZFROKMDBU-HOCLYGCPSA-N 0 3 315.461 3.010 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cc(CC)on2)CC1 ZINC001266392798 1081737964 /nfs/dbraw/zinc/73/79/64/1081737964.db2.gz NRSKVMLYXMDZNA-UHFFFAOYSA-N 0 3 319.449 3.130 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1 ZINC001109054881 1081759860 /nfs/dbraw/zinc/75/98/60/1081759860.db2.gz DFAUYSLYNAKRJW-IKGGRYGDSA-N 0 3 318.486 3.368 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1ccc(Cl)nc1)C1CC1 ZINC001266412758 1081768939 /nfs/dbraw/zinc/76/89/39/1081768939.db2.gz ZMBRWPVDDHADJO-OAHLLOKOSA-N 0 3 321.852 3.076 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C)n1)C2 ZINC001109188288 1081781486 /nfs/dbraw/zinc/78/14/86/1081781486.db2.gz IGRONJGNVKZEGG-VYDXJSESSA-N 0 3 319.449 3.289 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCc1sccc1C ZINC001156664231 1081815872 /nfs/dbraw/zinc/81/58/72/1081815872.db2.gz HWHYVTUUGOYAFZ-MRXNPFEDSA-N 0 3 320.502 3.229 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)CC(F)(F)F ZINC001266488718 1081890941 /nfs/dbraw/zinc/89/09/41/1081890941.db2.gz OIIPRVAVRZZOHO-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC(C)(C)CC(F)(F)F ZINC001266491789 1081893155 /nfs/dbraw/zinc/89/31/55/1081893155.db2.gz BSMZFDAFNDUFHF-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1C ZINC001266496327 1081898447 /nfs/dbraw/zinc/89/84/47/1081898447.db2.gz JHORARFJOUVCBI-CALCHBBNSA-N 0 3 318.486 3.240 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCOC ZINC001266498714 1081902057 /nfs/dbraw/zinc/90/20/57/1081902057.db2.gz ASKLJOMZAQHPJR-YESZJQIVSA-N 0 3 322.493 3.079 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C)C2 ZINC001109757862 1081909056 /nfs/dbraw/zinc/90/90/56/1081909056.db2.gz ZXVOXJVNCSRJSB-QYZOEREBSA-N 0 3 312.457 3.225 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001109876664 1081926301 /nfs/dbraw/zinc/92/63/01/1081926301.db2.gz VHUYLMKAESPAID-ILXRZTDVSA-N 0 3 321.490 3.449 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](CC)c1ccccc1)C2 ZINC001109970235 1081940621 /nfs/dbraw/zinc/94/06/21/1081940621.db2.gz SKPHJYIJVDEHSH-RNQOJCNYSA-N 0 3 324.468 3.315 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(C)cc(F)c2)CC1 ZINC001167313526 1081947843 /nfs/dbraw/zinc/94/78/43/1081947843.db2.gz GYRXDKRDBMJTOC-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN CCCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)O ZINC001110027250 1081950118 /nfs/dbraw/zinc/95/01/18/1081950118.db2.gz PSBQJQZGYCRMMI-BDXSIMOUSA-N 0 3 324.509 3.229 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3c(s2)CCC3)C1 ZINC001086547332 1081986572 /nfs/dbraw/zinc/98/65/72/1081986572.db2.gz DLIAGKVMVCIYQU-AULYBMBSSA-N 0 3 324.877 3.087 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(C)c(C)o1)C2 ZINC001204531430 1082039312 /nfs/dbraw/zinc/03/93/12/1082039312.db2.gz NYTYOXXZNQJRTN-ROUUACIJSA-N 0 3 305.418 3.223 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCCC2)C1 ZINC001086570674 1082084581 /nfs/dbraw/zinc/08/45/81/1082084581.db2.gz KJQORYKNYVGMDJ-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001266625014 1082090777 /nfs/dbraw/zinc/09/07/77/1082090777.db2.gz VKFUJQXNRFEIJB-ULQDDVLXSA-N 0 3 320.864 3.245 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC001113025183 1082092871 /nfs/dbraw/zinc/09/28/71/1082092871.db2.gz GSYGPEJWBXPAMC-QGZVFWFLSA-N 0 3 314.473 3.290 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2ccn3ccccc23)CC1 ZINC001113090673 1082111760 /nfs/dbraw/zinc/11/17/60/1082111760.db2.gz LMQDFJXVRPIZNA-MRXNPFEDSA-N 0 3 311.429 3.052 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001113258031 1082150205 /nfs/dbraw/zinc/15/02/05/1082150205.db2.gz VWQFBUBPVZNBIZ-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001113258029 1082150408 /nfs/dbraw/zinc/15/04/08/1082150408.db2.gz VWQFBUBPVZNBIZ-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001266703659 1082156545 /nfs/dbraw/zinc/15/65/45/1082156545.db2.gz MCMSNCZMGGKKNI-GASCZTMLSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001266711052 1082161410 /nfs/dbraw/zinc/16/14/10/1082161410.db2.gz KJCWKPHMBYAVIO-VBQJREDUSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1 ZINC001266718735 1082167165 /nfs/dbraw/zinc/16/71/65/1082167165.db2.gz BXTXVVKBUZEEFT-RQJABVFESA-N 0 3 300.874 3.294 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC001113383486 1082192893 /nfs/dbraw/zinc/19/28/93/1082192893.db2.gz APJCUMGMVNHXFQ-AWEZNQCLSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCF)CCCCC1 ZINC001111484148 1082291558 /nfs/dbraw/zinc/29/15/58/1082291558.db2.gz WMPQDWQZDQKLJM-ZACQAIPSSA-N 0 3 320.452 3.041 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001266889872 1082305281 /nfs/dbraw/zinc/30/52/81/1082305281.db2.gz KOBADTPVJBVFSN-ZWKOTPCHSA-N 0 3 302.462 3.212 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CCO[C@H]1CCCC[C@H]1C ZINC001480898032 1082308405 /nfs/dbraw/zinc/30/84/05/1082308405.db2.gz CCZMSBGVOXFHNM-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN CC(C)(S)CNc1nc2cccc(Br)c2[nH]1 ZINC001170305915 1082340682 /nfs/dbraw/zinc/34/06/82/1082340682.db2.gz HJPMHYJUCRYHFD-UHFFFAOYSA-N 0 3 300.225 3.446 20 30 DGEDHN COc1ccc(C[C@@H](C)N2CCC[C@H](C#N)CC2)c([N+](=O)[O-])c1 ZINC001170345058 1082355334 /nfs/dbraw/zinc/35/53/34/1082355334.db2.gz GXOFDAODAHOONI-KGLIPLIRSA-N 0 3 317.389 3.160 20 30 DGEDHN COc1ccc(C[C@H](C)N2CCC[C@H](C#N)CC2)c([N+](=O)[O-])c1 ZINC001170345057 1082355706 /nfs/dbraw/zinc/35/57/06/1082355706.db2.gz GXOFDAODAHOONI-KBPBESRZSA-N 0 3 317.389 3.160 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NCc1ccc(OC)c(F)c1 ZINC001266968553 1082387772 /nfs/dbraw/zinc/38/77/72/1082387772.db2.gz SIKLSZNQICJAQF-ACJLOTCBSA-N 0 3 322.424 3.031 20 30 DGEDHN COc1cccc(CN2CCC(Cc3ccc(C#N)cc3)CC2)n1 ZINC001137533364 1082398775 /nfs/dbraw/zinc/39/87/75/1082398775.db2.gz RAGIGIJMBWXKDK-UHFFFAOYSA-N 0 3 321.424 3.417 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001480909056 1082404900 /nfs/dbraw/zinc/40/49/00/1082404900.db2.gz IWPCAEYKNUNPSL-QGZVFWFLSA-N 0 3 316.420 3.217 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)c1ccccc1-c1ccccc1 ZINC001266988713 1082408812 /nfs/dbraw/zinc/40/88/12/1082408812.db2.gz HPTYXWCLBGRMTD-INIZCTEOSA-N 0 3 306.409 3.085 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001170452422 1082478654 /nfs/dbraw/zinc/47/86/54/1082478654.db2.gz XSQNMIKTNUSJEO-PMACEKPBSA-N 0 3 312.457 3.426 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(C)C1CCCC1 ZINC001267131851 1082549402 /nfs/dbraw/zinc/54/94/02/1082549402.db2.gz IWCDGVBPLAFYHC-CYBMUJFWSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCO[C@H](C)CC(C)C ZINC001157930299 1082553334 /nfs/dbraw/zinc/55/33/34/1082553334.db2.gz AXKCFNBWPORFFD-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2cc(F)ccc2o1 ZINC001267146558 1082563362 /nfs/dbraw/zinc/56/33/62/1082563362.db2.gz RPIBKCYUBCFKLE-NSHDSACASA-N 0 3 324.783 3.422 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001267148153 1082565863 /nfs/dbraw/zinc/56/58/63/1082565863.db2.gz HRMHOADQZVFUOH-HYVNUMGLSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CSC(C)C ZINC001267160358 1082580094 /nfs/dbraw/zinc/58/00/94/1082580094.db2.gz DUMHFGNVMUIWPI-CQSZACIVSA-N 0 3 318.914 3.241 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1Cc1conc1C ZINC001267172048 1082595316 /nfs/dbraw/zinc/59/53/16/1082595316.db2.gz UIYPPNDKMQMXIS-INIZCTEOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cc(C)co1 ZINC001267172727 1082596061 /nfs/dbraw/zinc/59/60/61/1082596061.db2.gz AVLBOIQXLYNHCI-CQSZACIVSA-N 0 3 310.825 3.315 20 30 DGEDHN C#CCCCCC(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001267192166 1082620491 /nfs/dbraw/zinc/62/04/91/1082620491.db2.gz JIEFKONPWNNQQP-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1c1ccccc1 ZINC001211560580 1082623715 /nfs/dbraw/zinc/62/37/15/1082623715.db2.gz JUYDLMGFDYUIMC-UBJZUDALSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001279618759 1082701079 /nfs/dbraw/zinc/70/10/79/1082701079.db2.gz MQPMSKNXLQBLRX-UONOGXRCSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC001267259598 1082716058 /nfs/dbraw/zinc/71/60/58/1082716058.db2.gz CWHJJOCUYBGQEH-MRXNPFEDSA-N 0 3 312.413 3.480 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CC2CCCCC2)CC[C@H]1C ZINC001131780351 1082729030 /nfs/dbraw/zinc/72/90/30/1082729030.db2.gz OQJVBCNSNNRDGS-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc(C)no2)CC[C@H]1C ZINC001131784193 1082731346 /nfs/dbraw/zinc/73/13/46/1082731346.db2.gz POZSHZPKGNGUDT-CVEARBPZSA-N 0 3 319.449 3.312 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001267288240 1082753083 /nfs/dbraw/zinc/75/30/83/1082753083.db2.gz PCISCVWISOPETN-MRXNPFEDSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl)C1 ZINC001496153791 1082767292 /nfs/dbraw/zinc/76/72/92/1082767292.db2.gz WYJACAGUJDXYSX-LLVKDONJSA-N 0 3 305.249 3.098 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001131895892 1082763255 /nfs/dbraw/zinc/76/32/55/1082763255.db2.gz MYGAGDNMZVNHRH-FUHWJXTLSA-N 0 3 300.446 3.430 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001267300711 1082763457 /nfs/dbraw/zinc/76/34/57/1082763457.db2.gz SQVQVXMLKKHWNX-WBVHZDCISA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001131980263 1082780692 /nfs/dbraw/zinc/78/06/92/1082780692.db2.gz JXZUQEQNLKDQFM-FUHWJXTLSA-N 0 3 320.477 3.049 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(F)cc2ccoc21 ZINC001267315822 1082782963 /nfs/dbraw/zinc/78/29/63/1082782963.db2.gz WVGDGJDCLZPDBF-UHFFFAOYSA-N 0 3 316.376 3.037 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC(C)C)CC[C@@H]2C)cc1 ZINC001132016948 1082797214 /nfs/dbraw/zinc/79/72/14/1082797214.db2.gz LELZMTAOWFKXKH-PKOBYXMFSA-N 0 3 312.457 3.124 20 30 DGEDHN Cc1ccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c(C)c1 ZINC001132033642 1082798200 /nfs/dbraw/zinc/79/82/00/1082798200.db2.gz JEARVUJTAWWXOS-FXAWDEMLSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)CC2(C)CCCC2)CC[C@H]1C ZINC001132038048 1082799908 /nfs/dbraw/zinc/79/99/08/1082799908.db2.gz MUHZBZFFXJXZCO-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(C)c(C)cc1Cl)C1CC1 ZINC001267330756 1082804169 /nfs/dbraw/zinc/80/41/69/1082804169.db2.gz MIPLABAJZJQHMR-UHFFFAOYSA-N 0 3 306.837 3.337 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC(C)C)C1 ZINC001132061759 1082804752 /nfs/dbraw/zinc/80/47/52/1082804752.db2.gz YLDNVNLCMPFJOT-IAGOWNOFSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2ccccc2F)CC[C@H]1C ZINC001132129229 1082824414 /nfs/dbraw/zinc/82/44/14/1082824414.db2.gz SJHPYBFYSXETJS-UTDDRVLSSA-N 0 3 316.420 3.384 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC001267350730 1082826928 /nfs/dbraw/zinc/82/69/28/1082826928.db2.gz HSPREXSGPNJFFJ-ZDUSSCGKSA-N 0 3 304.777 3.180 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1C(C)(C)C1(C)C)c1ccccc1 ZINC001267357131 1082829306 /nfs/dbraw/zinc/82/93/06/1082829306.db2.gz KSOVNCXHCNKLBR-INIZCTEOSA-N 0 3 312.457 3.139 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cccc(Cl)c2)CC[C@H]1C ZINC001132202073 1082842423 /nfs/dbraw/zinc/84/24/23/1082842423.db2.gz BSTIPZPYUVQAMJ-RHSMWYFYSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2cccc(C)c2)CC[C@H]1C ZINC001132205944 1082843519 /nfs/dbraw/zinc/84/35/19/1082843519.db2.gz BBQJKYFQQWPWMR-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001267376944 1082845923 /nfs/dbraw/zinc/84/59/23/1082845923.db2.gz KDDVEWQJTVKCTA-IBGZPJMESA-N 0 3 324.424 3.332 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132252771 1082854443 /nfs/dbraw/zinc/85/44/43/1082854443.db2.gz KAVFVLDWADBJNS-SJORKVTESA-N 0 3 310.482 3.129 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccccc2)CC[C@@H]1C ZINC001132252198 1082855095 /nfs/dbraw/zinc/85/50/95/1082855095.db2.gz BULAIWLMKZWVKW-FUHWJXTLSA-N 0 3 300.446 3.164 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132255610 1082865205 /nfs/dbraw/zinc/86/52/05/1082865205.db2.gz BVWKNDJNSFXISP-SJLPKXTDSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccc(C)cc2)CC[C@@H]1C ZINC001132278786 1082869094 /nfs/dbraw/zinc/86/90/94/1082869094.db2.gz RATZJNLNZUOEAX-PKOBYXMFSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132301991 1082871172 /nfs/dbraw/zinc/87/11/72/1082871172.db2.gz KRCRIYRWFDLATE-UHFFFAOYSA-N 0 3 317.477 3.322 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CC[C@H](C)N(CCOC(C)C)C2)CC1 ZINC001132293134 1082875115 /nfs/dbraw/zinc/87/51/15/1082875115.db2.gz ZHUGHRMAHNJWOC-WMZOPIPTSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132330313 1082883328 /nfs/dbraw/zinc/88/33/28/1082883328.db2.gz FMVTVYVBGRHRJL-HZPDHXFCSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001267443537 1082885575 /nfs/dbraw/zinc/88/55/75/1082885575.db2.gz REIXBQMKAZHPJK-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132444998 1082913039 /nfs/dbraw/zinc/91/30/39/1082913039.db2.gz JUKAJKJMTACSHK-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(C)(F)F)CC[C@H]1C ZINC001132453360 1082915928 /nfs/dbraw/zinc/91/59/28/1082915928.db2.gz NWGFZNLZHVHYBT-CHWSQXEVSA-N 0 3 302.409 3.213 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132472891 1082919943 /nfs/dbraw/zinc/91/99/43/1082919943.db2.gz NOGQDULCQOGMFJ-GJZGRUSLSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2cccs2)CC[C@@H]1C ZINC001132469990 1082920169 /nfs/dbraw/zinc/92/01/69/1082920169.db2.gz ZXJWOHMGMDPJFX-GJZGRUSLSA-N 0 3 306.475 3.226 20 30 DGEDHN C=C[C@H](CC(=O)NCCN(C)CC=C(C)C)c1ccccc1 ZINC001480950144 1082926388 /nfs/dbraw/zinc/92/63/88/1082926388.db2.gz RMOKWDLBZVVDHJ-QGZVFWFLSA-N 0 3 300.446 3.361 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001267475855 1082929391 /nfs/dbraw/zinc/92/93/91/1082929391.db2.gz QOUJTTZRNRGHDT-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCCCCC3)C(C)(C)[C@H]21 ZINC001087277877 1082930883 /nfs/dbraw/zinc/93/08/83/1082930883.db2.gz WPOATLUAVFZJBJ-KURKYZTESA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132659407 1082973370 /nfs/dbraw/zinc/97/33/70/1082973370.db2.gz UWKYSIYDOORRPR-JKSUJKDBSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(OC)cc1C)c1ccccc1 ZINC001267518598 1082977866 /nfs/dbraw/zinc/97/78/66/1082977866.db2.gz ANVIQEDCKAXZOD-IBGZPJMESA-N 0 3 324.424 3.250 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC001267518745 1082978793 /nfs/dbraw/zinc/97/87/93/1082978793.db2.gz CEXFQNVPUJWYKN-UXHICEINSA-N 0 3 320.436 3.350 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1(C(F)F)CCCC1)c1ccccc1 ZINC001267520614 1082980352 /nfs/dbraw/zinc/98/03/52/1082980352.db2.gz RHSWBMFGEHZIBC-OAHLLOKOSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)CCCCCC)C1 ZINC001111941025 1082987511 /nfs/dbraw/zinc/98/75/11/1082987511.db2.gz AVZSGMPZWHBGAJ-JZXOWHBKSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@@H]2CCN(CCOCC)C2)CC1 ZINC001267546943 1083015882 /nfs/dbraw/zinc/01/58/82/1083015882.db2.gz UISIWAPHDWFSOX-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2ncoc2C2CC2)C1 ZINC001267549277 1083020389 /nfs/dbraw/zinc/02/03/89/1083020389.db2.gz VCMSPTJMUAVLSR-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001481024708 1083093405 /nfs/dbraw/zinc/09/34/05/1083093405.db2.gz FTAHXBBDKHDAMP-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001481024708 1083093411 /nfs/dbraw/zinc/09/34/11/1083093411.db2.gz FTAHXBBDKHDAMP-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN CC(C)(C)c1ccc(C#N)c(-n2nc(CN)c3ccccc32)n1 ZINC001167697017 1083099618 /nfs/dbraw/zinc/09/96/18/1083099618.db2.gz LPXLAXOIQVOTHQ-UHFFFAOYSA-N 0 3 305.385 3.048 20 30 DGEDHN N#CCc1cc2ccccc2nc1-n1nc(CN)c2ccccc21 ZINC001167697438 1083104868 /nfs/dbraw/zinc/10/48/68/1083104868.db2.gz ZGGWTZNFDRKISF-UHFFFAOYSA-N 0 3 313.364 3.098 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCC ZINC001133377012 1083109401 /nfs/dbraw/zinc/10/94/01/1083109401.db2.gz JRAQTNALUAPECN-UHFFFAOYSA-N 0 3 306.837 3.082 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001133380968 1083110776 /nfs/dbraw/zinc/11/07/76/1083110776.db2.gz SQIOJAGXKKEFLA-LJQANCHMSA-N 0 3 316.445 3.036 20 30 DGEDHN C=CCCC1(C(=O)NCCNCc2ccc(Cl)s2)CC1 ZINC001133375902 1083112091 /nfs/dbraw/zinc/11/20/91/1083112091.db2.gz NPOOXNRCLYLSLN-UHFFFAOYSA-N 0 3 312.866 3.354 20 30 DGEDHN C=CCC1(C(=O)NCCN[C@@H](C)c2ccc(F)c(F)c2)CCC1 ZINC001133395610 1083115214 /nfs/dbraw/zinc/11/52/14/1083115214.db2.gz SLLTYSIHINEDLG-ZDUSSCGKSA-N 0 3 322.399 3.478 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](F)CC ZINC001133404097 1083115925 /nfs/dbraw/zinc/11/59/25/1083115925.db2.gz XREGHJIPDLCOIW-MRXNPFEDSA-N 0 3 324.827 3.030 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cncc(CC#N)c1 ZINC001170683360 1083116002 /nfs/dbraw/zinc/11/60/02/1083116002.db2.gz ZLMMHWOPYZUXRB-ZDUSSCGKSA-N 0 3 303.369 3.020 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2occc2CC)C[C@H]1C ZINC001104635233 1083168955 /nfs/dbraw/zinc/16/89/55/1083168955.db2.gz XJBMDTWILIXNDX-IUODEOHRSA-N 0 3 324.852 3.282 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1C ZINC001104657098 1083177899 /nfs/dbraw/zinc/17/78/99/1083177899.db2.gz QNRBNKPZROUUAD-ZYHUDNBSSA-N 0 3 322.827 3.104 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001481106489 1083179895 /nfs/dbraw/zinc/17/98/95/1083179895.db2.gz SUOQXFLBOYCDEI-MRXNPFEDSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc2ccccc2o1 ZINC001133889302 1083208248 /nfs/dbraw/zinc/20/82/48/1083208248.db2.gz UJPYNNCJVQZGEJ-KGLIPLIRSA-N 0 3 315.417 3.167 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)c(CC)s1 ZINC001481153209 1083214798 /nfs/dbraw/zinc/21/47/98/1083214798.db2.gz WURANSARYMQQBD-UHFFFAOYSA-N 0 3 306.475 3.084 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001267618227 1083217581 /nfs/dbraw/zinc/21/75/81/1083217581.db2.gz YUDJMNSCLKKGPU-UYAOXDASSA-N 0 3 314.473 3.412 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)CCC1CC1)NCc1ccccc1C#N ZINC001133964373 1083217736 /nfs/dbraw/zinc/21/77/36/1083217736.db2.gz HNZLVVZODJVWJF-GJZGRUSLSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc(Cl)c1C)C1CC1 ZINC001481168719 1083221329 /nfs/dbraw/zinc/22/13/29/1083221329.db2.gz DQVRVGFBMZUYKX-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCc2cccs2)C1 ZINC001267621946 1083223529 /nfs/dbraw/zinc/22/35/29/1083223529.db2.gz CVCIBGHUPHGXSP-OAHLLOKOSA-N 0 3 306.475 3.228 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1nc(C(C)(C)C)cs1)C1CC1 ZINC001481172157 1083223848 /nfs/dbraw/zinc/22/38/48/1083223848.db2.gz BUAITZJQONFMNM-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001267623313 1083226214 /nfs/dbraw/zinc/22/62/14/1083226214.db2.gz KQKUYXDHLPMEQZ-KRWDZBQOSA-N 0 3 311.429 3.215 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)CC1CCC1)NCc1ccccc1C#N ZINC001134026711 1083229401 /nfs/dbraw/zinc/22/94/01/1083229401.db2.gz RZDYLCWBLWLCLM-HUUCEWRRSA-N 0 3 313.445 3.121 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)C=C1CCC1)NCc1ccccc1C#N ZINC001134113752 1083242553 /nfs/dbraw/zinc/24/25/53/1083242553.db2.gz FLPDJJRWGHSWMK-GJZGRUSLSA-N 0 3 311.429 3.041 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001167717972 1083250476 /nfs/dbraw/zinc/25/04/76/1083250476.db2.gz IJEPOPIKQVFXGD-KRWDZBQOSA-N 0 3 322.880 3.412 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134285897 1083267533 /nfs/dbraw/zinc/26/75/33/1083267533.db2.gz YMPNPAMGGMOBBC-YYOKVSEPSA-N 0 3 313.445 3.287 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134469962 1083294294 /nfs/dbraw/zinc/29/42/94/1083294294.db2.gz KLURVCXPNAATOT-HOTGVXAUSA-N 0 3 313.445 3.287 20 30 DGEDHN CCC[C@H](CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001125871149 1083312729 /nfs/dbraw/zinc/31/27/29/1083312729.db2.gz XZPHRMLRZDBEAX-SFHVURJKSA-N 0 3 315.461 3.275 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001267748711 1083315575 /nfs/dbraw/zinc/31/55/75/1083315575.db2.gz FWZVJPHRTSWJKI-IEBWSBKVSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001267749011 1083316090 /nfs/dbraw/zinc/31/60/90/1083316090.db2.gz CGXGIVGIMMJWRD-UONOGXRCSA-N 0 3 321.490 3.425 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1C ZINC001104874244 1083322124 /nfs/dbraw/zinc/32/21/24/1083322124.db2.gz QKIJSBBGQPJZFV-FVQBIDKESA-N 0 3 324.896 3.393 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2csc(C(C)C)n2)CC1 ZINC001161477977 1083332210 /nfs/dbraw/zinc/33/22/10/1083332210.db2.gz LZDUYRCFVATKKI-UHFFFAOYSA-N 0 3 319.474 3.205 20 30 DGEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2scnc2C2CC2)C1 ZINC001267773795 1083337518 /nfs/dbraw/zinc/33/75/18/1083337518.db2.gz QFZGBKVZZSVUQF-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001267777978 1083341035 /nfs/dbraw/zinc/34/10/35/1083341035.db2.gz ULJLGZHNPZHHLO-INIZCTEOSA-N 0 3 324.509 3.184 20 30 DGEDHN CCc1ccccc1CN1CC[C@H](N(CC)C(=O)C#CC2CC2)C1 ZINC001267785233 1083346336 /nfs/dbraw/zinc/34/63/36/1083346336.db2.gz UFRZJHNGDDTIFR-FQEVSTJZSA-N 0 3 324.468 3.085 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccc(Cl)cc2)C1 ZINC001267788027 1083347332 /nfs/dbraw/zinc/34/73/32/1083347332.db2.gz OXAUODGEYGXKTQ-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccc(C)s2)C1 ZINC001267795101 1083352222 /nfs/dbraw/zinc/35/22/22/1083352222.db2.gz VCBPYSLDGDLVPA-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C[C@H](NCc1cccc(F)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC001181055144 1083393541 /nfs/dbraw/zinc/39/35/41/1083393541.db2.gz JLRLGQNVUJTMOP-LIRRHRJNSA-N 0 3 311.404 3.478 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1(CNCc2cnoc2C)CCCC1 ZINC001267842138 1083427961 /nfs/dbraw/zinc/42/79/61/1083427961.db2.gz LEOIWXQIYNZTPH-OAHLLOKOSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C[C@H](C)n2cccc2)CCCC1 ZINC001267845010 1083433627 /nfs/dbraw/zinc/43/36/27/1083433627.db2.gz PUXZGMPTZODDLG-HNNXBMFYSA-N 0 3 323.868 3.210 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)Cc1ccco1)C1CC1 ZINC001267862441 1083468192 /nfs/dbraw/zinc/46/81/92/1083468192.db2.gz NCEBUAOANZQVEH-SJCJKPOMSA-N 0 3 324.852 3.085 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)C#CC(C)C)CCCC[C@H]1C ZINC001267865981 1083481319 /nfs/dbraw/zinc/48/13/19/1083481319.db2.gz HAYKVVCOSRLSBQ-RHSMWYFYSA-N 0 3 310.869 3.053 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1c1ccccc1 ZINC001211653661 1083485979 /nfs/dbraw/zinc/48/59/79/1083485979.db2.gz SPRPZFMWKIRMIK-RBUKOAKNSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC001267875908 1083507591 /nfs/dbraw/zinc/50/75/91/1083507591.db2.gz PBAXCXHGDUNHGH-IDTUSYRASA-N 0 3 322.836 3.264 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001267887267 1083519322 /nfs/dbraw/zinc/51/93/22/1083519322.db2.gz FXDRXKKXLNTTNA-LSDHHAIUSA-N 0 3 312.885 3.393 20 30 DGEDHN O=C(C#CC1CC1)N[C@@H]1CCCN(CC/C=C/c2ccccc2)C1 ZINC001267931381 1083593092 /nfs/dbraw/zinc/59/30/92/1083593092.db2.gz SQEDDTYBEFHVKS-CWFIWJMMSA-N 0 3 322.452 3.084 20 30 DGEDHN CCCCCCCCCCN(C)C(=O)C1(O)CCN(C)CC1 ZINC001182033018 1083609455 /nfs/dbraw/zinc/60/94/55/1083609455.db2.gz KERHOVKXSYBKTK-UHFFFAOYSA-N 0 3 312.498 3.042 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001267969324 1083671865 /nfs/dbraw/zinc/67/18/65/1083671865.db2.gz IUTLTJHHESNUER-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC1(C(=O)N2CCC3(CCN(CCF)C3)CC2)CCCC1 ZINC001267975130 1083683531 /nfs/dbraw/zinc/68/35/31/1083683531.db2.gz OXACXJVUPVZWBK-UHFFFAOYSA-N 0 3 322.468 3.407 20 30 DGEDHN Cc1cccc(C(=O)N(C)CCNCc2cccc(C#N)c2)c1C ZINC001481310248 1083748376 /nfs/dbraw/zinc/74/83/76/1083748376.db2.gz NJVCTOYRAJBHLP-UHFFFAOYSA-N 0 3 321.424 3.037 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccc(C)nc1)c1ccccc1 ZINC001481360091 1083820166 /nfs/dbraw/zinc/82/01/66/1083820166.db2.gz KEKQYOUSQCNGPV-SFHVURJKSA-N 0 3 309.413 3.027 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(C)c1F)c1ccccc1 ZINC001481367469 1083827879 /nfs/dbraw/zinc/82/78/79/1083827879.db2.gz SZEFIRAJLXTPHV-KRWDZBQOSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H](N(CCC)C(=O)C(=O)C(C)(C)C)C1 ZINC001481396285 1083859674 /nfs/dbraw/zinc/85/96/74/1083859674.db2.gz KFRRSAQTDMGWMN-HOTGVXAUSA-N 0 3 322.493 3.269 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cnc(CC)s2)C1 ZINC001481412195 1083885683 /nfs/dbraw/zinc/88/56/83/1083885683.db2.gz RMYRLCXRRWPRHN-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C[C@@H](NC1(CNC(=O)[C@@H](C)C#N)CCCC1)c1ccccc1F ZINC001268032156 1083909458 /nfs/dbraw/zinc/90/94/58/1083909458.db2.gz RYRSWKDGXYFPAJ-UONOGXRCSA-N 0 3 317.408 3.065 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cccc2[nH]c(=O)oc21 ZINC001183430535 1083948008 /nfs/dbraw/zinc/94/80/08/1083948008.db2.gz YIKFBIUERWMDLQ-UHFFFAOYSA-N 0 3 307.353 3.080 20 30 DGEDHN CSc1ccc(CNCc2ccc3nonc3c2)cc1C#N ZINC001183803034 1084035753 /nfs/dbraw/zinc/03/57/53/1084035753.db2.gz ZYHKFRNVCLEDNB-UHFFFAOYSA-N 0 3 310.382 3.106 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001481531004 1084088081 /nfs/dbraw/zinc/08/80/81/1084088081.db2.gz LPURMLXHPLTPGW-CHWSQXEVSA-N 0 3 310.438 3.436 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001481534030 1084095625 /nfs/dbraw/zinc/09/56/25/1084095625.db2.gz SCWHTAWXTAHCPL-IBGZPJMESA-N 0 3 324.468 3.448 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001151392701 1084113528 /nfs/dbraw/zinc/11/35/28/1084113528.db2.gz PAGUQMOOOCUYIA-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268079197 1084114402 /nfs/dbraw/zinc/11/44/02/1084114402.db2.gz QFMZHYIUVILCII-AWEZNQCLSA-N 0 3 319.474 3.303 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268078991 1084114704 /nfs/dbraw/zinc/11/47/04/1084114704.db2.gz NATUDCLCHJDJQL-BLXFFLACSA-N 0 3 317.458 3.079 20 30 DGEDHN N#Cc1cc2ccc(NCCN3CCSCC3)cc2cc1C#N ZINC001167839631 1084163463 /nfs/dbraw/zinc/16/34/63/1084163463.db2.gz QEZOKEQFMKXRPE-UHFFFAOYSA-N 0 3 322.437 3.044 20 30 DGEDHN C/C=C(/C)C(=O)N1CCC[C@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001268183917 1084298578 /nfs/dbraw/zinc/29/85/78/1084298578.db2.gz HYXPOPCOKJEGCV-PSEZHDIUSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(C2CCCC2)c1 ZINC001268254887 1084415811 /nfs/dbraw/zinc/41/58/11/1084415811.db2.gz GIIPLHGFVWFVRF-UHFFFAOYSA-N 0 3 312.457 3.371 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cscc1C(F)(F)F ZINC001268258286 1084424868 /nfs/dbraw/zinc/42/48/68/1084424868.db2.gz AUNVSRMTMNEEIO-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1CCCC1 ZINC001151481424 1084458276 /nfs/dbraw/zinc/45/82/76/1084458276.db2.gz FXWBZRVGPNYTEM-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CSC ZINC001481668655 1084462898 /nfs/dbraw/zinc/46/28/98/1084462898.db2.gz XCJDOIMPTCGTSJ-PMPSAXMXSA-N 0 3 310.507 3.017 20 30 DGEDHN CC(C)=C(C)CC(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001268393939 1084555854 /nfs/dbraw/zinc/55/58/54/1084555854.db2.gz XSZSEEBHVCAIQK-INIZCTEOSA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001167905176 1084572440 /nfs/dbraw/zinc/57/24/40/1084572440.db2.gz BECPAVIRSJAPCC-DLBZAZTESA-N 0 3 320.864 3.255 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)CCc1ccccc1 ZINC001186028876 1084574477 /nfs/dbraw/zinc/57/44/77/1084574477.db2.gz XKEWSSBXRDAPLI-AEFFLSMTSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC001268415964 1084585758 /nfs/dbraw/zinc/58/57/58/1084585758.db2.gz HHVCRENWVOEFPM-LLVKDONJSA-N 0 3 316.779 3.475 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001481771796 1084626010 /nfs/dbraw/zinc/62/60/10/1084626010.db2.gz QCPCHCHWBBLIGX-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001481779601 1084630057 /nfs/dbraw/zinc/63/00/57/1084630057.db2.gz TYXMQYKTHGYXTC-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001481782121 1084634968 /nfs/dbraw/zinc/63/49/68/1084634968.db2.gz NBUPJQAGSMIZOM-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001268592444 1084858996 /nfs/dbraw/zinc/85/89/96/1084858996.db2.gz ZFZSRBUTDUEOSU-DVBCCOPCSA-N 0 3 312.457 3.164 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001268592446 1084859192 /nfs/dbraw/zinc/85/91/92/1084859192.db2.gz ZFZSRBUTDUEOSU-LKGOPFMKSA-N 0 3 312.457 3.164 20 30 DGEDHN C=CCC1(C(=O)NC/C=C/CNCCC(F)(F)F)CCCC1 ZINC001268634304 1084903790 /nfs/dbraw/zinc/90/37/90/1084903790.db2.gz WNYMJUICBISKLN-AATRIKPKSA-N 0 3 318.383 3.337 20 30 DGEDHN CC1=C(C)C[C@@H](C(=O)N[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001268646924 1084913155 /nfs/dbraw/zinc/91/31/55/1084913155.db2.gz KMBVSPOVVOPOLT-QUCCMNQESA-N 0 3 324.468 3.269 20 30 DGEDHN CCC[C@@H](CC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001268667776 1084928614 /nfs/dbraw/zinc/92/86/14/1084928614.db2.gz WERXEOAIPXRSJY-UKRRQHHQSA-N 0 3 319.424 3.118 20 30 DGEDHN C[C@H](CN(C)[C@@H](C)c1cccc(Cl)c1)NC(=O)C#CC1CC1 ZINC001268730488 1084990685 /nfs/dbraw/zinc/99/06/85/1084990685.db2.gz PIZVAXBDCBFEJD-KGLIPLIRSA-N 0 3 318.848 3.251 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001268729067 1084996061 /nfs/dbraw/zinc/99/60/61/1084996061.db2.gz BYZDFABDONVGGX-KBPBESRZSA-N 0 3 322.399 3.122 20 30 DGEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001268758375 1085034851 /nfs/dbraw/zinc/03/48/51/1085034851.db2.gz BZTGBRLEHQXWKZ-IEBWSBKVSA-N 0 3 322.493 3.152 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cncc2ccccc21 ZINC001268958901 1085087302 /nfs/dbraw/zinc/08/73/02/1085087302.db2.gz QKEMKOOXEMKSND-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC/C=C/c1ccccc1 ZINC001268965532 1085088360 /nfs/dbraw/zinc/08/83/60/1085088360.db2.gz SGPMOKBMBGLRMV-RPTPJDKGSA-N 0 3 310.441 3.341 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001269172279 1085178038 /nfs/dbraw/zinc/17/80/38/1085178038.db2.gz MINZBNREJVOUBB-GDBMZVCRSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(CC)cc2)CC1 ZINC001167946600 1085184818 /nfs/dbraw/zinc/18/48/18/1085184818.db2.gz QZMBNRHZRMEHJE-UHFFFAOYSA-N 0 3 320.864 3.491 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001269260972 1085242823 /nfs/dbraw/zinc/24/28/23/1085242823.db2.gz MFTQHNCREKGATI-GDBMZVCRSA-N 0 3 313.445 3.118 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001269260962 1085243354 /nfs/dbraw/zinc/24/33/54/1085243354.db2.gz MAHMUPMTAPUMPU-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001269260500 1085245649 /nfs/dbraw/zinc/24/56/49/1085245649.db2.gz GDDXULVTYCNOHU-LJQANCHMSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1c(C)cc(C)cc1C ZINC001269284490 1085266650 /nfs/dbraw/zinc/26/66/50/1085266650.db2.gz DKWOHRSXGHQIFA-SFHVURJKSA-N 0 3 314.473 3.311 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001269310591 1085294603 /nfs/dbraw/zinc/29/46/03/1085294603.db2.gz NJVAYTUXIVMLHL-RHSMWYFYSA-N 0 3 311.429 3.327 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001269321462 1085300655 /nfs/dbraw/zinc/30/06/55/1085300655.db2.gz WQTZOUUAQZMWAY-HNNXBMFYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001269327110 1085302583 /nfs/dbraw/zinc/30/25/83/1085302583.db2.gz SKFIZWSZUMRGAC-OAHLLOKOSA-N 0 3 316.420 3.014 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)(C)CC)NCC#Cc1ccccc1 ZINC001269407960 1085371398 /nfs/dbraw/zinc/37/13/98/1085371398.db2.gz JTABAIGSYWBDFS-SFHVURJKSA-N 0 3 314.473 3.349 20 30 DGEDHN CC(C)C#CC(=O)NCC1(N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001269411265 1085371843 /nfs/dbraw/zinc/37/18/43/1085371843.db2.gz AALQEHRZRXERGL-AWEZNQCLSA-N 0 3 318.848 3.299 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2ncccc2C)CCC1 ZINC001269466137 1085400681 /nfs/dbraw/zinc/40/06/81/1085400681.db2.gz FURRMICTZXUZRY-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001269484125 1085416021 /nfs/dbraw/zinc/41/60/21/1085416021.db2.gz BJILCBWDQOXKDS-GOSISDBHSA-N 0 3 318.436 3.475 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc(CC)c(CCC)s2)CC1 ZINC001269535648 1085451731 /nfs/dbraw/zinc/45/17/31/1085451731.db2.gz VAAGMCDDMFJGNP-UHFFFAOYSA-N 0 3 318.486 3.138 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C2CC=CC2)CC1 ZINC001269616342 1085497756 /nfs/dbraw/zinc/49/77/56/1085497756.db2.gz MCRCIKFSEQRGLA-UHFFFAOYSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCCC1(C)C)C1CC1 ZINC001269629118 1085503649 /nfs/dbraw/zinc/50/36/49/1085503649.db2.gz BIZBUINKRBVOPA-RHSMWYFYSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC001269635199 1085507473 /nfs/dbraw/zinc/50/74/73/1085507473.db2.gz ZFXVYQWFVIWEPA-CPUCHLNUSA-N 0 3 322.836 3.010 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(CC=C)CCCC3)C2)C1 ZINC001269700310 1085533610 /nfs/dbraw/zinc/53/36/10/1085533610.db2.gz UJCCUTVJHZOZQK-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001269755103 1085555679 /nfs/dbraw/zinc/55/56/79/1085555679.db2.gz JFZNWKRYDGKKLV-WBVHZDCISA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001269765964 1085559197 /nfs/dbraw/zinc/55/91/97/1085559197.db2.gz OJJLQPOUKOPCLZ-BZUAXINKSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001482243364 1085566267 /nfs/dbraw/zinc/56/62/67/1085566267.db2.gz MDMMMNGSNATPTG-KRWDZBQOSA-N 0 3 304.478 3.479 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2c(F)cccc2F)C[C@H]1C ZINC001269918373 1085614662 /nfs/dbraw/zinc/61/46/62/1085614662.db2.gz VFNWJJJEUNZZMP-KGLIPLIRSA-N 0 3 322.399 3.400 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001270042448 1085668493 /nfs/dbraw/zinc/66/84/93/1085668493.db2.gz KKXFZLPDOAFVPV-CYBMUJFWSA-N 0 3 324.877 3.142 20 30 DGEDHN C=C(C)CC[NH2+]Cc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001270054812 1085673695 /nfs/dbraw/zinc/67/36/95/1085673695.db2.gz LVNOETSZXGIWHH-UHFFFAOYSA-N 0 3 324.424 3.378 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCCC2(C)C)cc1 ZINC001270071149 1085678289 /nfs/dbraw/zinc/67/82/89/1085678289.db2.gz NHTIECWGVLDOIO-SFHVURJKSA-N 0 3 312.457 3.242 20 30 DGEDHN C[C@H](C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)C1CCC1 ZINC001270077647 1085679527 /nfs/dbraw/zinc/67/95/27/1085679527.db2.gz SSUHOPYUMALVGG-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCCCC(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001270130569 1085703614 /nfs/dbraw/zinc/70/36/14/1085703614.db2.gz BBKBFCBOVYEKNG-IZZDOVSWSA-N 0 3 310.869 3.151 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001270143053 1085708384 /nfs/dbraw/zinc/70/83/84/1085708384.db2.gz DOYCGAPYSQTAAT-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1ccccc1F ZINC001270183947 1085724579 /nfs/dbraw/zinc/72/45/79/1085724579.db2.gz DABBISUQNYRVFT-LSDHHAIUSA-N 0 3 304.409 3.434 20 30 DGEDHN C#CCN(C(=O)C1CC2(CCC2)C1)C1CCN(CC(=C)C)CC1 ZINC001270332463 1085773995 /nfs/dbraw/zinc/77/39/95/1085773995.db2.gz ZLOQRMPILDRHJU-UHFFFAOYSA-N 0 3 314.473 3.069 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cc(F)ccc1OC ZINC001482287685 1085805317 /nfs/dbraw/zinc/80/53/17/1085805317.db2.gz SHNNWZCHCIZSCO-AWEZNQCLSA-N 0 3 322.424 3.127 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001270526795 1085844746 /nfs/dbraw/zinc/84/47/46/1085844746.db2.gz WFJYKFHJJBMPTP-CYBMUJFWSA-N 0 3 324.415 3.409 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](CCC)CC(C)C)CC2 ZINC001270870641 1086103680 /nfs/dbraw/zinc/10/36/80/1086103680.db2.gz NLSBZZSUOCVVSN-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001105389309 1086129603 /nfs/dbraw/zinc/12/96/03/1086129603.db2.gz NCGQSTRDPMIPBF-WWQCUGACSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2(CC=C)CCCCC2)CC1 ZINC001270925535 1086195019 /nfs/dbraw/zinc/19/50/19/1086195019.db2.gz HOOVOGVMYRKSJH-UHFFFAOYSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCCc2ccccc2)C1 ZINC001270992210 1086234913 /nfs/dbraw/zinc/23/49/13/1086234913.db2.gz SVPSLOJEEXMVFA-FQEVSTJZSA-N 0 3 314.473 3.414 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(F)ccc2Cl)C1 ZINC001270990491 1086235723 /nfs/dbraw/zinc/23/57/23/1086235723.db2.gz BGCJHVCJDLDDBY-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCCc2cccs2)C1 ZINC001271007344 1086245361 /nfs/dbraw/zinc/24/53/61/1086245361.db2.gz NGWSCMSKAYBRSF-GOSISDBHSA-N 0 3 320.502 3.475 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C=C2CCC2)CCN1Cc1cccc(C#N)c1 ZINC001087538620 1086249647 /nfs/dbraw/zinc/24/96/47/1086249647.db2.gz ATAKFLDHSQXTNY-RBUKOAKNSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CCNCc1ocnc1C ZINC001482455817 1086284602 /nfs/dbraw/zinc/28/46/02/1086284602.db2.gz NBXABPWRHFRQAH-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CC=C)[C@@H]2CC)cc1 ZINC001087627743 1086333787 /nfs/dbraw/zinc/33/37/87/1086333787.db2.gz GFNGLBUNXYIKCQ-ZWKOTPCHSA-N 0 3 314.429 3.020 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C(F)F)cc2)[C@H]1CC ZINC001087655097 1086342353 /nfs/dbraw/zinc/34/23/53/1086342353.db2.gz IWNLJGVKWCQPSJ-JKSUJKDBSA-N 0 3 322.399 3.322 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1CC ZINC001087648879 1086342962 /nfs/dbraw/zinc/34/29/62/1086342962.db2.gz IMHOVCZHCHOZFW-JKSUJKDBSA-N 0 3 304.434 3.364 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2nc3ccccc3cc2C)[C@H]1CC ZINC001087663802 1086347528 /nfs/dbraw/zinc/34/75/28/1086347528.db2.gz DKZGIDMKMPUMQG-ZWKOTPCHSA-N 0 3 323.440 3.312 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H]1CC ZINC001087675355 1086352355 /nfs/dbraw/zinc/35/23/55/1086352355.db2.gz IJEYGIMDAAEPKD-MAUKXSAKSA-N 0 3 311.429 3.245 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)[C@H]1CC ZINC001087737094 1086384771 /nfs/dbraw/zinc/38/47/71/1086384771.db2.gz CYJYGFSPVFWVGT-LUKYLMHMSA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1CC ZINC001087743222 1086392656 /nfs/dbraw/zinc/39/26/56/1086392656.db2.gz OXGOZXMOVPAMHQ-GVDBMIGSSA-N 0 3 304.409 3.242 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc([C@H](C)CC)no2)[C@H]1CC ZINC001087753292 1086396815 /nfs/dbraw/zinc/39/68/15/1086396815.db2.gz AVGJFIMPTHFVGC-IJEWVQPXSA-N 0 3 319.449 3.347 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc(C3CCC3)n2)[C@H]1CC ZINC001087788807 1086409193 /nfs/dbraw/zinc/40/91/93/1086409193.db2.gz JKMWAJIXLUWDNB-GOEBONIOSA-N 0 3 317.433 3.101 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2occ3c2CCCC3)[C@H]1CC ZINC001087810320 1086418372 /nfs/dbraw/zinc/41/83/72/1086418372.db2.gz OVUCEEISUHADCX-DLBZAZTESA-N 0 3 316.445 3.317 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H]1CC ZINC001087806582 1086418403 /nfs/dbraw/zinc/41/84/03/1086418403.db2.gz NXVXGVWIHRLDNO-LSDHHAIUSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCCC1(C(=O)N2C[C@H]3CN(C[C@H](F)CC)C[C@@]3(C)C2)CC1 ZINC001101354698 1086439822 /nfs/dbraw/zinc/43/98/22/1086439822.db2.gz BLCFVYKSHXBLTD-NUJGCVRESA-N 0 3 322.468 3.261 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)[C@H]1CC ZINC001087845213 1086443052 /nfs/dbraw/zinc/44/30/52/1086443052.db2.gz MQRBBKHWQHYEAX-BHYGNILZSA-N 0 3 318.848 3.135 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC(C)(F)F ZINC001227136912 1086504778 /nfs/dbraw/zinc/50/47/78/1086504778.db2.gz YGTRHSZCPJFYPS-VXGBXAGGSA-N 0 3 308.800 3.191 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccccc3C(C)C)C[C@@H]2C1 ZINC001087986728 1086515857 /nfs/dbraw/zinc/51/58/57/1086515857.db2.gz ZIEBOIRAHKEBGN-MSOLQXFVSA-N 0 3 324.468 3.227 20 30 DGEDHN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)CCCC#N ZINC001271252749 1086556406 /nfs/dbraw/zinc/55/64/06/1086556406.db2.gz PGMGGDZTEJEVGB-YESZJQIVSA-N 0 3 305.466 3.182 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1CC(C)C1)c1ccccc1CC ZINC001271446725 1086636242 /nfs/dbraw/zinc/63/62/42/1086636242.db2.gz OOIYPCDLJLDIFU-JFUPDXTOSA-N 0 3 300.446 3.228 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccns1 ZINC001482494809 1086718105 /nfs/dbraw/zinc/71/81/05/1086718105.db2.gz YONQFSCNNYYQET-GDBMZVCRSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC(CC)CC)C[C@H]1C(F)(F)F ZINC001112185739 1086726279 /nfs/dbraw/zinc/72/62/79/1086726279.db2.gz MVHUZKWZGFOMFX-ZIAGYGMSSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccc(C)nc2)C1 ZINC001088265298 1086740886 /nfs/dbraw/zinc/74/08/86/1086740886.db2.gz XKPXMXHLIMSKNU-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ncccc2C)C1 ZINC001088290309 1086767841 /nfs/dbraw/zinc/76/78/41/1086767841.db2.gz HIZKSRVJNUSKTP-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C ZINC001271811938 1086777751 /nfs/dbraw/zinc/77/77/51/1086777751.db2.gz AXKGEDFEMWJSGX-PKOBYXMFSA-N 0 3 312.457 3.064 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccncc2C)C1 ZINC001088310187 1086783861 /nfs/dbraw/zinc/78/38/61/1086783861.db2.gz QGFFYCHMBIXAKH-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1ncccc1C)C(C)C ZINC001271846416 1086791780 /nfs/dbraw/zinc/79/17/80/1086791780.db2.gz PTWXXAGWUJLGSS-MRXNPFEDSA-N 0 3 317.477 3.223 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1ncccc1C)C(C)C ZINC001271846415 1086792194 /nfs/dbraw/zinc/79/21/94/1086792194.db2.gz PTWXXAGWUJLGSS-INIZCTEOSA-N 0 3 317.477 3.223 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H]1CCCC1(F)F)C(C)C ZINC001271887165 1086808519 /nfs/dbraw/zinc/80/85/19/1086808519.db2.gz YOZBMDKYXHNUOS-CHWSQXEVSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2cnc(C)s2)C(C)C)C1 ZINC001271893921 1086813171 /nfs/dbraw/zinc/81/31/71/1086813171.db2.gz RXPCQHKEVIQCQS-OAHLLOKOSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cccnc2C)C1 ZINC001088371483 1086864737 /nfs/dbraw/zinc/86/47/37/1086864737.db2.gz IYJRCCYLZQGZNL-HNNXBMFYSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](F)C(C)C)C1 ZINC001088365914 1086867449 /nfs/dbraw/zinc/86/74/49/1086867449.db2.gz WUJAXGBFXJQLHR-ZIAGYGMSSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc(C)co2)C1 ZINC001088365417 1086867497 /nfs/dbraw/zinc/86/74/97/1086867497.db2.gz KFECZOQNSMJBJQ-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2occc2C)C1 ZINC001088377675 1086884894 /nfs/dbraw/zinc/88/48/94/1086884894.db2.gz OYFXBMJOTZOESD-HNNXBMFYSA-N 0 3 324.852 3.244 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001088383401 1086900235 /nfs/dbraw/zinc/90/02/35/1086900235.db2.gz CUYLWGCCLKLJMM-CHWSQXEVSA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(F)cc1F)C(C)C ZINC001482567315 1086931060 /nfs/dbraw/zinc/93/10/60/1086931060.db2.gz GAAKSLKWXRBBQA-CQSZACIVSA-N 0 3 316.779 3.061 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001168118467 1086938033 /nfs/dbraw/zinc/93/80/33/1086938033.db2.gz CNGRSFSWYNERCM-MRXNPFEDSA-N 0 3 324.852 3.001 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1coc2cc(F)ccc12 ZINC001272013981 1086968445 /nfs/dbraw/zinc/96/84/45/1086968445.db2.gz UCOMOZBKKSXZNH-UHFFFAOYSA-N 0 3 318.392 3.081 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCCC(C)C ZINC001272046251 1087026843 /nfs/dbraw/zinc/02/68/43/1087026843.db2.gz XSPQNKLHRVFVJV-QZTJIDSGSA-N 0 3 304.478 3.291 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccccc1CC ZINC001482620880 1087090803 /nfs/dbraw/zinc/09/08/03/1087090803.db2.gz WMTKHBWVPFPZHW-UHFFFAOYSA-N 0 3 314.473 3.333 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001482652635 1087102991 /nfs/dbraw/zinc/10/29/91/1087102991.db2.gz YYZBCWJYBIKPKB-GOEBONIOSA-N 0 3 322.399 3.035 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1CNCc1cscn1 ZINC001482678880 1087136292 /nfs/dbraw/zinc/13/62/92/1087136292.db2.gz MQCOXNLEEMGZTK-ZFWWWQNUSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001482873883 1087178133 /nfs/dbraw/zinc/17/81/33/1087178133.db2.gz NLNAJHFATRYWCX-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC001482896222 1087180883 /nfs/dbraw/zinc/18/08/83/1087180883.db2.gz RBVBTSAFLIVJGO-LBPRGKRZSA-N 0 3 314.882 3.469 20 30 DGEDHN C#Cc1ccc(C(=O)N(CC)CCNCc2cccc(F)c2)cc1 ZINC001482943540 1087192878 /nfs/dbraw/zinc/19/28/78/1087192878.db2.gz UENVJQWMDJKCRI-UHFFFAOYSA-N 0 3 324.399 3.059 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H]1C ZINC001088664300 1087249522 /nfs/dbraw/zinc/24/95/22/1087249522.db2.gz RHLSITCJIJVGOO-MQYQWHSLSA-N 0 3 318.383 3.120 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)[C@H]1C ZINC001088672577 1087250662 /nfs/dbraw/zinc/25/06/62/1087250662.db2.gz COWCZLVRUOKLHW-PBHICJAKSA-N 0 3 311.429 3.163 20 30 DGEDHN C=C(C)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001142511402 1087275345 /nfs/dbraw/zinc/27/53/45/1087275345.db2.gz GZXMVNKGNZMLAD-KRWDZBQOSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)[C@H]1C ZINC001088751597 1087331626 /nfs/dbraw/zinc/33/16/26/1087331626.db2.gz WGCQOOLFFHYNSU-VMGRFDJRSA-N 0 3 318.848 3.135 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](C)CCCCC)CC1 ZINC001279155400 1087341647 /nfs/dbraw/zinc/34/16/47/1087341647.db2.gz AMLBJNCXUZQCJP-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)[C@H]1C ZINC001088769515 1087347059 /nfs/dbraw/zinc/34/70/59/1087347059.db2.gz OVVCVPKTEBXNLQ-BEFAXECRSA-N 0 3 310.441 3.088 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)nc2C(C)C)[C@H]1C ZINC001088776620 1087349314 /nfs/dbraw/zinc/34/93/14/1087349314.db2.gz FKIFCFAIWFNBIB-WBVHZDCISA-N 0 3 315.461 3.282 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001483338622 1087475502 /nfs/dbraw/zinc/47/55/02/1087475502.db2.gz HAYBWYQMTKLYLM-UAGQMJEPSA-N 0 3 300.446 3.049 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1ccncc1Cl ZINC001483489830 1087513949 /nfs/dbraw/zinc/51/39/49/1087513949.db2.gz NQGDDHHXKIWMQC-QGZVFWFLSA-N 0 3 323.868 3.275 20 30 DGEDHN C=CCCC(=O)N[C@@H](CN[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC001483551337 1087522630 /nfs/dbraw/zinc/52/26/30/1087522630.db2.gz YMBFIQIJFTWLAM-SJCJKPOMSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(OCC)c2)[C@H]1C ZINC001088895771 1087599890 /nfs/dbraw/zinc/59/98/90/1087599890.db2.gz WIRMEDMKSGTPMK-WBVHZDCISA-N 0 3 316.445 3.162 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001483668972 1087616782 /nfs/dbraw/zinc/61/67/82/1087616782.db2.gz NSFITUOULDZQKT-HNNXBMFYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)[C@H]1C ZINC001088995673 1087617053 /nfs/dbraw/zinc/61/70/53/1087617053.db2.gz DVNZNBRZMHPKEM-SUMDDJOVSA-N 0 3 312.457 3.262 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]1C ZINC001089013351 1087619792 /nfs/dbraw/zinc/61/97/92/1087619792.db2.gz ORZJNNJZWATEKT-CJNGLKHVSA-N 0 3 306.837 3.038 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C(C)C)c2C)[C@H]1C ZINC001089029840 1087624874 /nfs/dbraw/zinc/62/48/74/1087624874.db2.gz WIGSRBXTUPCMDH-WBVHZDCISA-N 0 3 303.450 3.064 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001099085870 1087625225 /nfs/dbraw/zinc/62/52/25/1087625225.db2.gz VZLBAFROQHBQST-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)[C@H]1C ZINC001089063765 1087629880 /nfs/dbraw/zinc/62/98/80/1087629880.db2.gz RMBHNCUXRXBKRZ-LZQZEXGQSA-N 0 3 312.457 3.262 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)[C@H]1C ZINC001089068425 1087630360 /nfs/dbraw/zinc/63/03/60/1087630360.db2.gz CAOOIXXGIVPGDS-AOIWGVFYSA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)[C@H]1C ZINC001089068857 1087630676 /nfs/dbraw/zinc/63/06/76/1087630676.db2.gz YQTHZVJSJCZWIW-PVUWLOKVSA-N 0 3 318.848 3.135 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001483682837 1087646975 /nfs/dbraw/zinc/64/69/75/1087646975.db2.gz UUOCADCXAZJFEY-ZDUSSCGKSA-N 0 3 318.383 3.266 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001099122402 1087657729 /nfs/dbraw/zinc/65/77/29/1087657729.db2.gz RPHZRAOEFAWIJK-UWVAXJGDSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN2C[C@H](C)CC)CCCCC1 ZINC001483705940 1087682353 /nfs/dbraw/zinc/68/23/53/1087682353.db2.gz KHGLYPZKVFFYLF-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H]2CCN2C[C@@H](C)CC)CCCCC1 ZINC001483705941 1087682826 /nfs/dbraw/zinc/68/28/26/1087682826.db2.gz KHGLYPZKVFFYLF-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CO[C@@H](C)CC ZINC001233706286 1087689089 /nfs/dbraw/zinc/68/90/89/1087689089.db2.gz KKPUKGLBAOSTLC-DLBZAZTESA-N 0 3 312.498 3.305 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CO[C@H](C)CC ZINC001233706288 1087689294 /nfs/dbraw/zinc/68/92/94/1087689294.db2.gz KKPUKGLBAOSTLC-IAGOWNOFSA-N 0 3 312.498 3.305 20 30 DGEDHN CCCCCCCN1CCCC[C@@]12CC(=O)N(CCOCC)C2 ZINC001272475860 1087718063 /nfs/dbraw/zinc/71/80/63/1087718063.db2.gz DULAQGNPEIHDMD-IBGZPJMESA-N 0 3 324.509 3.450 20 30 DGEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCC(C)C ZINC001151767113 1087772370 /nfs/dbraw/zinc/77/23/70/1087772370.db2.gz WEARDSLEFMYTJF-MRXNPFEDSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@@H](C)c2cccc(OC)c2)CC1 ZINC001483737669 1087783232 /nfs/dbraw/zinc/78/32/32/1087783232.db2.gz LLPVSSUGOFLJNP-HNNXBMFYSA-N 0 3 316.445 3.351 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc[nH]c1CCC ZINC001158363955 1087793257 /nfs/dbraw/zinc/79/32/57/1087793257.db2.gz OGPZBUQGKSRQKX-OAHLLOKOSA-N 0 3 303.450 3.080 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001158363259 1087794286 /nfs/dbraw/zinc/79/42/86/1087794286.db2.gz DHVFEVOOZKOTTH-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC001168449783 1087798798 /nfs/dbraw/zinc/79/87/98/1087798798.db2.gz VCLICEWXVFPEEY-GOSISDBHSA-N 0 3 320.864 3.129 20 30 DGEDHN CCCCCC(C)(C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001151869801 1087801622 /nfs/dbraw/zinc/80/16/22/1087801622.db2.gz HTVSEOOVZSWQJZ-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CCCC1(F)F ZINC001158377524 1087802565 /nfs/dbraw/zinc/80/25/65/1087802565.db2.gz OEQDTHBKSIVMNN-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)CCOCC(C)C ZINC001158419655 1087823989 /nfs/dbraw/zinc/82/39/89/1087823989.db2.gz VENOZYBNGIVXAD-GOSISDBHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000176534733 1087896245 /nfs/dbraw/zinc/89/62/45/1087896245.db2.gz GJGKYSIKBQEAGY-NSHDSACASA-N 0 3 308.740 3.483 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)c1cccnc1 ZINC001158553883 1087909527 /nfs/dbraw/zinc/90/95/27/1087909527.db2.gz BASRRFWZVGDBHK-FUHWJXTLSA-N 0 3 315.461 3.074 20 30 DGEDHN CC/C=C(/C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152188266 1087915720 /nfs/dbraw/zinc/91/57/20/1087915720.db2.gz GYRQCTIIDBBOFA-MVMZHWFQSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1cc(C)oc1C ZINC001158605366 1087930751 /nfs/dbraw/zinc/93/07/51/1087930751.db2.gz WRCAEEYDXOEOCW-DOTOQJQBSA-N 0 3 318.461 3.499 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC[C@@H](C)CC ZINC001158640861 1087954890 /nfs/dbraw/zinc/95/48/90/1087954890.db2.gz YDKHKKYHIPDXEW-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2ccncc21 ZINC001158680441 1087975620 /nfs/dbraw/zinc/97/56/20/1087975620.db2.gz UNPITYJHEBJYFT-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)c(CC)o1 ZINC001158732262 1087996241 /nfs/dbraw/zinc/99/62/41/1087996241.db2.gz NGBJAROHLCRAAG-OAHLLOKOSA-N 0 3 304.434 3.263 20 30 DGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CC1CCC1 ZINC001152591303 1088017480 /nfs/dbraw/zinc/01/74/80/1088017480.db2.gz IKTJDBNBYPGYCI-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)ccc1C ZINC001158786679 1088028359 /nfs/dbraw/zinc/02/83/59/1088028359.db2.gz DZMSSSSIVQESTP-QGZVFWFLSA-N 0 3 300.446 3.416 20 30 DGEDHN N#Cc1c2ccc(Cl)cc2sc1Nc1ccncc1CN ZINC001159216579 1088237763 /nfs/dbraw/zinc/23/77/63/1088237763.db2.gz DSQOFYGDWADRPB-UHFFFAOYSA-N 0 3 314.801 3.446 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)ccc1C ZINC001272617054 1088323902 /nfs/dbraw/zinc/32/39/02/1088323902.db2.gz ROENVUVPVKBTLP-QZTJIDSGSA-N 0 3 316.420 3.276 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001153948101 1088417185 /nfs/dbraw/zinc/41/71/85/1088417185.db2.gz ORRXHSLRRXGLAH-MRXNPFEDSA-N 0 3 314.473 3.448 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC1CC(OC(C)(C)C)C1 ZINC001123337818 1088417452 /nfs/dbraw/zinc/41/74/52/1088417452.db2.gz UXBWWZOFOZUQKC-JXQTWKCFSA-N 0 3 303.406 3.063 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001153995158 1088431166 /nfs/dbraw/zinc/43/11/66/1088431166.db2.gz UWNPNXYQABOWMN-XITLMJRVSA-N 0 3 316.420 3.079 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001154004996 1088433939 /nfs/dbraw/zinc/43/39/39/1088433939.db2.gz UDIFCPXKCYDPTL-BHIYHBOVSA-N 0 3 312.457 3.030 20 30 DGEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001272653357 1088455100 /nfs/dbraw/zinc/45/51/00/1088455100.db2.gz KTURWGWYPBEOBF-KRWDZBQOSA-N 0 3 316.420 3.120 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)c(F)ccc1Cl ZINC001154087237 1088468832 /nfs/dbraw/zinc/46/88/32/1088468832.db2.gz AVFFIYFIZBSCPN-GFCCVEGCSA-N 0 3 324.827 3.251 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)CC(C)(C)C1 ZINC001089393006 1088562439 /nfs/dbraw/zinc/56/24/39/1088562439.db2.gz AXGWELMXVXGMLV-ROUUACIJSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(F)cc1C)CC2 ZINC001272667238 1088607728 /nfs/dbraw/zinc/60/77/28/1088607728.db2.gz NISOIQHSBCJCCL-KRWDZBQOSA-N 0 3 316.420 3.038 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC(C)(C)C1 ZINC001089445946 1088616195 /nfs/dbraw/zinc/61/61/95/1088616195.db2.gz PVEZXJLDFDOYSY-XWTMOSNGSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC(C)(C)C1 ZINC001089445783 1088616288 /nfs/dbraw/zinc/61/62/88/1088616288.db2.gz MIHXDWKLUJRESB-MHORFTMASA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(Cl)cc1 ZINC001154497430 1088632166 /nfs/dbraw/zinc/63/21/66/1088632166.db2.gz CQNYHWKYCGRSPV-OAHLLOKOSA-N 0 3 320.864 3.123 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)OCCCCCC)CC1 ZINC001160142307 1088667442 /nfs/dbraw/zinc/66/74/42/1088667442.db2.gz FLHKWPIGHCYNFH-QGZVFWFLSA-N 0 3 322.493 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001154620133 1088680806 /nfs/dbraw/zinc/68/08/06/1088680806.db2.gz BMKXKGVZUSUYBA-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)c2cccs2)CC(C)(C)C1 ZINC001089491171 1088684733 /nfs/dbraw/zinc/68/47/33/1088684733.db2.gz JLZAELWSJHPNCT-CABCVRRESA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)CC(C)(C)C1 ZINC001089542020 1088723925 /nfs/dbraw/zinc/72/39/25/1088723925.db2.gz QNBIDHFKOVTKCA-HNNXBMFYSA-N 0 3 316.445 3.004 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)CC(C)(C)C1 ZINC001089548957 1088735632 /nfs/dbraw/zinc/73/56/32/1088735632.db2.gz RBXXWQPOHPZUTB-SFHVURJKSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC(C)(C)C1 ZINC001089566674 1088755121 /nfs/dbraw/zinc/75/51/21/1088755121.db2.gz QIOMBBMDNRDNRE-OAHLLOKOSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001089596321 1088790507 /nfs/dbraw/zinc/79/05/07/1088790507.db2.gz XXDFNBUEWVBLBM-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001089605937 1088809967 /nfs/dbraw/zinc/80/99/67/1088809967.db2.gz RHYSZFDXEZNXDB-OAHLLOKOSA-N 0 3 304.434 3.385 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001160485687 1088830237 /nfs/dbraw/zinc/83/02/37/1088830237.db2.gz KJFWWRXFXKDVSO-QUCCMNQESA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001089623792 1088837819 /nfs/dbraw/zinc/83/78/19/1088837819.db2.gz SVEMAUBMARCOQL-MWDXBVQZSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001089627265 1088849641 /nfs/dbraw/zinc/84/96/41/1088849641.db2.gz WJRRVSHTPUKKEW-INIZCTEOSA-N 0 3 316.445 3.140 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001089631075 1088851116 /nfs/dbraw/zinc/85/11/16/1088851116.db2.gz GUCCWKNWHJWQCH-CYBMUJFWSA-N 0 3 322.836 3.177 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c[nH]c3ccccc23)CC1 ZINC001160613494 1088894594 /nfs/dbraw/zinc/89/45/94/1088894594.db2.gz LGMCDUMJWPJGNP-UHFFFAOYSA-N 0 3 309.413 3.106 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCC(C)(C)CN1CC=C ZINC001089652196 1088949217 /nfs/dbraw/zinc/94/92/17/1088949217.db2.gz ZJLUUMNAUSZCGG-INIZCTEOSA-N 0 3 315.461 3.081 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@]3(CCN(C[C@@H](F)CC)C3)C2)CCC1 ZINC001483849657 1088951807 /nfs/dbraw/zinc/95/18/07/1088951807.db2.gz ZPGTVZDRGZZICL-WMZOPIPTSA-N 0 3 322.468 3.405 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001155211323 1089010972 /nfs/dbraw/zinc/01/09/72/1089010972.db2.gz QKSXZHDNTLVVQG-MSOLQXFVSA-N 0 3 314.473 3.339 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1ccc(Cl)nc1 ZINC001483930241 1089016301 /nfs/dbraw/zinc/01/63/01/1089016301.db2.gz AYIRYSCDUWSNFB-HNNXBMFYSA-N 0 3 321.852 3.172 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001089657187 1089019860 /nfs/dbraw/zinc/01/98/60/1089019860.db2.gz ARUOOSCXMUKPRW-JKSUJKDBSA-N 0 3 304.478 3.360 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc(CC#N)cc1Cl ZINC001155257319 1089030953 /nfs/dbraw/zinc/03/09/53/1089030953.db2.gz FTAXWDGELSWUBC-SNVBAGLBSA-N 0 3 311.776 3.160 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cc(C#N)c2ccccc2n1 ZINC001155258132 1089031066 /nfs/dbraw/zinc/03/10/66/1089031066.db2.gz MJFDGRZZKSXIFG-GFCCVEGCSA-N 0 3 313.364 3.465 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)nc2c1CCCC2 ZINC001160952874 1089036744 /nfs/dbraw/zinc/03/67/44/1089036744.db2.gz GKRJDEQHDWTYPA-LBPRGKRZSA-N 0 3 306.841 3.071 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC001483974316 1089062904 /nfs/dbraw/zinc/06/29/04/1089062904.db2.gz YUBQRQFNJWHGLF-MRXNPFEDSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCN(C(=O)/C(C)=C\CC)C1CCN(CC=C(C)C)CC1 ZINC001483981056 1089066248 /nfs/dbraw/zinc/06/62/48/1089066248.db2.gz RHEJMHMNFXOUBH-IUXPMGMMSA-N 0 3 302.462 3.235 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(CCC)cc2)CC1 ZINC001161043686 1089088181 /nfs/dbraw/zinc/08/81/81/1089088181.db2.gz FUWMHALPYOAZCN-UHFFFAOYSA-N 0 3 324.468 3.414 20 30 DGEDHN CC1(C(=O)N[C@H](CNCC#Cc2ccccc2)C2CCCC2)CC1 ZINC001484002981 1089089142 /nfs/dbraw/zinc/08/91/42/1089089142.db2.gz ZHHKNKLKMUSSFL-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)C(C)C ZINC001155484464 1089131188 /nfs/dbraw/zinc/13/11/88/1089131188.db2.gz HOTXFGQBVGGETL-MJGOQNOKSA-N 0 3 314.473 3.276 20 30 DGEDHN CCC[C@H](C)CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155523962 1089145554 /nfs/dbraw/zinc/14/55/54/1089145554.db2.gz QLCIDRCETHKHHX-AWEZNQCLSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001484056433 1089145843 /nfs/dbraw/zinc/14/58/43/1089145843.db2.gz BMUIWEZRGOMLDR-IBGZPJMESA-N 0 3 304.478 3.360 20 30 DGEDHN CCC[C@H](C)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155524246 1089146015 /nfs/dbraw/zinc/14/60/15/1089146015.db2.gz WBNHKGRGCNJTOF-AWEZNQCLSA-N 0 3 319.424 3.120 20 30 DGEDHN CCC[C@@H](C)CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155523963 1089146611 /nfs/dbraw/zinc/14/66/11/1089146611.db2.gz QLCIDRCETHKHHX-CQSZACIVSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001161243581 1089165392 /nfs/dbraw/zinc/16/53/92/1089165392.db2.gz KQOLORHRUULSAQ-UHFFFAOYSA-N 0 3 313.445 3.220 20 30 DGEDHN C=CCN(C(=O)[C@@H](N)C1Cc2ccccc2C1)C1CCCCC1 ZINC001161248189 1089168336 /nfs/dbraw/zinc/16/83/36/1089168336.db2.gz SRRMHVHXIQAXJG-IBGZPJMESA-N 0 3 312.457 3.076 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001155606897 1089183815 /nfs/dbraw/zinc/18/38/15/1089183815.db2.gz FBTKLQCGAFXMFL-SJLPKXTDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc(OCC)c2)CC1 ZINC001161328047 1089196902 /nfs/dbraw/zinc/19/69/02/1089196902.db2.gz HDRGWRPSNGJYFQ-UHFFFAOYSA-N 0 3 314.429 3.023 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)CCCCC)CC1 ZINC001484143808 1089220881 /nfs/dbraw/zinc/22/08/81/1089220881.db2.gz PUDHWZLLXWLGOC-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001089699479 1089232395 /nfs/dbraw/zinc/23/23/95/1089232395.db2.gz MSJWAMGVTJWGAF-IXDOHACOSA-N 0 3 306.494 3.461 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001484164311 1089240634 /nfs/dbraw/zinc/24/06/34/1089240634.db2.gz UPKAOSIPURRBKJ-AZUAARDMSA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC001161434184 1089242917 /nfs/dbraw/zinc/24/29/17/1089242917.db2.gz NPGLZPSGWYEJDA-VQTJNVASSA-N 0 3 324.468 3.423 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2oc(C(C)C)nc2C)CC1 ZINC001161444936 1089247618 /nfs/dbraw/zinc/24/76/18/1089247618.db2.gz MZHUJCGOHQJWLO-UHFFFAOYSA-N 0 3 317.433 3.044 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001484167369 1089263713 /nfs/dbraw/zinc/26/37/13/1089263713.db2.gz DQXDTDPIPXWWFM-QFBILLFUSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)CCCCC(C)C)CC1 ZINC001161504929 1089265950 /nfs/dbraw/zinc/26/59/50/1089265950.db2.gz URQSDUBFDGUIRS-UHFFFAOYSA-N 0 3 304.478 3.365 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N1CCC(=O)[C@H](C)C12CCCC2 ZINC001161516607 1089268021 /nfs/dbraw/zinc/26/80/21/1089268021.db2.gz FFDWPADNLSMBMH-HOTGVXAUSA-N 0 3 320.477 3.201 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2cccs2)C1 ZINC001484176841 1089275313 /nfs/dbraw/zinc/27/53/13/1089275313.db2.gz XPFIFKVQGWDAHT-KRWDZBQOSA-N 0 3 306.475 3.085 20 30 DGEDHN C=C(C)CCN1CC(C)(C)CC[C@H]1CNC(=O)c1nccs1 ZINC001089716907 1089290889 /nfs/dbraw/zinc/29/08/89/1089290889.db2.gz SDOXFLGFTGKNQA-AWEZNQCLSA-N 0 3 321.490 3.330 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1CCc2ccccc2CC1 ZINC001161575842 1089294425 /nfs/dbraw/zinc/29/44/25/1089294425.db2.gz LGJSUIDMQSNIBS-UHFFFAOYSA-N 0 3 320.864 3.030 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccn1CC ZINC001089731330 1089311526 /nfs/dbraw/zinc/31/15/26/1089311526.db2.gz DCXSPAFJELOZSF-MRXNPFEDSA-N 0 3 317.477 3.305 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCCc2cccs2)CC1 ZINC001161829175 1089430488 /nfs/dbraw/zinc/43/04/88/1089430488.db2.gz MUTSPUWOYWOXOT-UHFFFAOYSA-N 0 3 318.486 3.395 20 30 DGEDHN N#Cc1ccnc(NC[C@@H]2CCCN2Cc2ccccc2)c1F ZINC001161885640 1089455527 /nfs/dbraw/zinc/45/55/27/1089455527.db2.gz VTIJSDNMNBPFDH-INIZCTEOSA-N 0 3 310.376 3.169 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001484516564 1089460052 /nfs/dbraw/zinc/46/00/52/1089460052.db2.gz WCWIPFWHGIBUIM-ZDUSSCGKSA-N 0 3 314.832 3.365 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC)c(C(C)C)c1 ZINC001161904025 1089462199 /nfs/dbraw/zinc/46/21/99/1089462199.db2.gz ZWLRCDFGQHMBJK-UHFFFAOYSA-N 0 3 324.852 3.281 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001156319241 1089477532 /nfs/dbraw/zinc/47/75/32/1089477532.db2.gz RMAJJKJUDOWGFE-MJGOQNOKSA-N 0 3 314.473 3.276 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccncc1 ZINC001484552713 1089489241 /nfs/dbraw/zinc/48/92/41/1089489241.db2.gz HSMWDMJXROTDSZ-UHFFFAOYSA-N 0 3 309.413 3.020 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H](C)C1CC1 ZINC001484556827 1089491400 /nfs/dbraw/zinc/49/14/00/1089491400.db2.gz KCZVCFVSDVAIER-MRXNPFEDSA-N 0 3 312.457 3.194 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001161968338 1089497543 /nfs/dbraw/zinc/49/75/43/1089497543.db2.gz OUWNQLYCPHTCRU-VQFNDLOPSA-N 0 3 304.478 3.383 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001156389941 1089502141 /nfs/dbraw/zinc/50/21/41/1089502141.db2.gz AHPHZEITYISGKW-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC001161973357 1089502422 /nfs/dbraw/zinc/50/24/22/1089502422.db2.gz VPZIYVBHSHGBQJ-NRFANRHFSA-N 0 3 324.468 3.215 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001156409488 1089510409 /nfs/dbraw/zinc/51/04/09/1089510409.db2.gz NUVHYOHGMKLJBN-WBVHZDCISA-N 0 3 310.457 3.145 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC(C)(C)C1CCCCC1 ZINC001156414729 1089513075 /nfs/dbraw/zinc/51/30/75/1089513075.db2.gz DAKJPGUARPAVFP-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001156415604 1089513184 /nfs/dbraw/zinc/51/31/84/1089513184.db2.gz LTRUJUUTDGRLDT-OAHLLOKOSA-N 0 3 312.413 3.123 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001162129530 1089560944 /nfs/dbraw/zinc/56/09/44/1089560944.db2.gz GAJKCHNCWHVVOB-SWLSCSKDSA-N 0 3 324.852 3.184 20 30 DGEDHN Cc1cc(NCCCN2CCc3ccccc3C2)ncc1C#N ZINC001162132625 1089564469 /nfs/dbraw/zinc/56/44/69/1089564469.db2.gz YEOSBNDKWSSCMQ-UHFFFAOYSA-N 0 3 306.413 3.122 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sccc1C(F)F ZINC001156648323 1089622481 /nfs/dbraw/zinc/62/24/81/1089622481.db2.gz QJDRVIJDYWJMFR-LLVKDONJSA-N 0 3 314.401 3.149 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC001484714401 1089602099 /nfs/dbraw/zinc/60/20/99/1089602099.db2.gz BCHZREUFKDJDLR-HNNXBMFYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2cnccc2C)CC1 ZINC001484723064 1089614171 /nfs/dbraw/zinc/61/41/71/1089614171.db2.gz LHRSZBWHVNJXED-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC001484771135 1089670222 /nfs/dbraw/zinc/67/02/22/1089670222.db2.gz OTLUPVLXOSWHGH-UHFFFAOYSA-N 0 3 322.399 3.216 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)cc(C)cc1C ZINC001156767189 1089685272 /nfs/dbraw/zinc/68/52/72/1089685272.db2.gz SAVODWMOBFMILL-QGZVFWFLSA-N 0 3 300.446 3.075 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(CC(C)C)cc1 ZINC001156813804 1089702991 /nfs/dbraw/zinc/70/29/91/1089702991.db2.gz AZHMKDAJTRORNB-QGZVFWFLSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC(C)C ZINC001484822377 1089703730 /nfs/dbraw/zinc/70/37/30/1089703730.db2.gz PLFHKJSEXSVRJL-SFHVURJKSA-N 0 3 300.446 3.152 20 30 DGEDHN C[Si](C)(C)C#Cc1ccnc(-n2nc(CN)c3ccccc32)c1 ZINC001156864395 1089722842 /nfs/dbraw/zinc/72/28/42/1089722842.db2.gz HDFHKZIZLGPULZ-UHFFFAOYSA-N 0 3 320.472 3.108 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001484881895 1089726190 /nfs/dbraw/zinc/72/61/90/1089726190.db2.gz GNQQRBCUPNRGDC-MAUKXSAKSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001484899954 1089728169 /nfs/dbraw/zinc/72/81/69/1089728169.db2.gz QDJWBBARKWKIPX-MJGOQNOKSA-N 0 3 324.468 3.077 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCC(C)(F)F)cc1 ZINC001272692074 1089732849 /nfs/dbraw/zinc/73/28/49/1089732849.db2.gz PZDDCJXJWVUQML-AWEZNQCLSA-N 0 3 322.399 3.412 20 30 DGEDHN C#CCCCNc1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001162446487 1089736093 /nfs/dbraw/zinc/73/60/93/1089736093.db2.gz HOGAGDWUUPYZNW-UHFFFAOYSA-N 0 3 317.452 3.177 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 ZINC001484965795 1089778265 /nfs/dbraw/zinc/77/82/65/1089778265.db2.gz CMNLRYGRVWEHPJ-WBVHZDCISA-N 0 3 316.445 3.131 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)c1ccc(Cl)cc1 ZINC001157047261 1089799923 /nfs/dbraw/zinc/79/99/23/1089799923.db2.gz OFSFEHMEUUIPGE-PBHICJAKSA-N 0 3 320.864 3.293 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1c2ccccc2CCN1CCCC ZINC001485005365 1089843732 /nfs/dbraw/zinc/84/37/32/1089843732.db2.gz YTKBDBMPZGJGIE-IBGZPJMESA-N 0 3 312.457 3.306 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)CCCC(C)C)CC2)C1 ZINC001485009895 1089845585 /nfs/dbraw/zinc/84/55/85/1089845585.db2.gz MTXPDWVXQKMGQW-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)CCCc1ccccc1 ZINC001157177700 1089856668 /nfs/dbraw/zinc/85/66/68/1089856668.db2.gz RJRPTVKHBVHJQA-ZWKOTPCHSA-N 0 3 314.473 3.105 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C1CC1)C1CC1 ZINC001485044797 1089865036 /nfs/dbraw/zinc/86/50/36/1089865036.db2.gz CDNIOEZXPSUSCQ-TZIWHRDSSA-N 0 3 324.468 3.371 20 30 DGEDHN C=CCc1c(Cl)ncnc1-n1c2ccccc2nc1[C@H](C)N ZINC001162759283 1089929956 /nfs/dbraw/zinc/92/99/56/1089929956.db2.gz CCQZXJLASUGOHK-JTQLQIEISA-N 0 3 313.792 3.217 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C(C)=C1CCCC1 ZINC001162770031 1089945018 /nfs/dbraw/zinc/94/50/18/1089945018.db2.gz SHDPMLTUKATDQT-UHFFFAOYSA-N 0 3 324.468 3.171 20 30 DGEDHN CC#CCNCCN(CCc1ccccc1)C(=O)/C=C(\C)CC ZINC001162802541 1089962914 /nfs/dbraw/zinc/96/29/14/1089962914.db2.gz KTJHMOZDAGGRQF-ISLYRVAYSA-N 0 3 312.457 3.027 20 30 DGEDHN CCN1CCCC[C@H]1c1ccc(N2C[C@@H](F)C[C@H]2C#N)nc1 ZINC001157481023 1089991519 /nfs/dbraw/zinc/99/15/19/1089991519.db2.gz INOGKHYJWRSMQE-JYJNAYRXSA-N 0 3 302.397 3.069 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H](CC)CCC ZINC001162970738 1090040534 /nfs/dbraw/zinc/04/05/34/1090040534.db2.gz JCDQTACRNAGAPE-LJQANCHMSA-N 0 3 314.473 3.107 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)oc1C ZINC001485244982 1090053346 /nfs/dbraw/zinc/05/33/46/1090053346.db2.gz PRVKBPADRNHOIA-UHFFFAOYSA-N 0 3 312.841 3.337 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)C(C)(CC)CC ZINC001163001529 1090052367 /nfs/dbraw/zinc/05/23/67/1090052367.db2.gz IJQVNSOHLRZPDM-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001485298025 1090088757 /nfs/dbraw/zinc/08/87/57/1090088757.db2.gz PUNHEAPRESBPFY-AWEZNQCLSA-N 0 3 306.837 3.080 20 30 DGEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CCCOC)C2 ZINC001272699166 1090096812 /nfs/dbraw/zinc/09/68/12/1090096812.db2.gz BSOLTGNOPZKHRU-LJQANCHMSA-N 0 3 322.493 3.226 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001163164321 1090097571 /nfs/dbraw/zinc/09/75/71/1090097571.db2.gz OGGDTRJSDLDLTM-CVEARBPZSA-N 0 3 324.827 3.168 20 30 DGEDHN CCCC1(C(=O)NC[C@H](C)N(C)Cc2cccc(C#N)c2)CC1 ZINC001485349321 1090118952 /nfs/dbraw/zinc/11/89/52/1090118952.db2.gz JPNMQEHLAHXQDZ-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@H](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001485361880 1090124841 /nfs/dbraw/zinc/12/48/41/1090124841.db2.gz AAUQIKZLHOFYQJ-HOTGVXAUSA-N 0 3 315.461 3.321 20 30 DGEDHN CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1CCC1 ZINC001485460353 1090173258 /nfs/dbraw/zinc/17/32/58/1090173258.db2.gz NAKBTYMPMKJPBD-AWEZNQCLSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC1(C(F)(F)F)CC1 ZINC001158066742 1090180918 /nfs/dbraw/zinc/18/09/18/1090180918.db2.gz RSWLLWYGBCLCHM-CYBMUJFWSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C(F)F)nc1 ZINC001158071656 1090182173 /nfs/dbraw/zinc/18/21/73/1090182173.db2.gz BSHDSECWGMKMDP-CQSZACIVSA-N 0 3 323.387 3.132 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001485479510 1090185224 /nfs/dbraw/zinc/18/52/24/1090185224.db2.gz LISYRHFKGOSQMR-IBDYFIJFSA-N 0 3 324.468 3.169 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001485528412 1090197783 /nfs/dbraw/zinc/19/77/83/1090197783.db2.gz CNOALUQJOGPPCA-DOTOQJQBSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001485528416 1090198519 /nfs/dbraw/zinc/19/85/19/1090198519.db2.gz CNOALUQJOGPPCA-RDJZCZTQSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001485541200 1090203753 /nfs/dbraw/zinc/20/37/53/1090203753.db2.gz YHWKDEBGBNCZBJ-HZPDHXFCSA-N 0 3 300.446 3.111 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C(C)(C)C1 ZINC001485583037 1090217503 /nfs/dbraw/zinc/21/75/03/1090217503.db2.gz KEGMQBUBMHAKIV-MJRGOJFPSA-N 0 3 312.457 3.411 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)C(C)(C)C1 ZINC001485583035 1090218198 /nfs/dbraw/zinc/21/81/98/1090218198.db2.gz KEGMQBUBMHAKIV-HPFMTEOYSA-N 0 3 312.457 3.411 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001163691765 1090234596 /nfs/dbraw/zinc/23/45/96/1090234596.db2.gz KXIZLDYIALSGJP-UHFFFAOYSA-N 0 3 320.864 3.265 20 30 DGEDHN CC(C)C(=O)N[C@@H](C)CCCNCC#Cc1ccccc1Cl ZINC001485709014 1090243205 /nfs/dbraw/zinc/24/32/05/1090243205.db2.gz CBWWNXPSUAOUJE-HNNXBMFYSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CCCC(=O)NCCC1(CNCc2ccncc2Cl)CC1 ZINC001163762478 1090252367 /nfs/dbraw/zinc/25/23/67/1090252367.db2.gz FYFVISPUVWIEFZ-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](F)c2ccccc2)cc1 ZINC001272700770 1090257671 /nfs/dbraw/zinc/25/76/71/1090257671.db2.gz NGJHEXUHGRKUGN-DNVCBOLYSA-N 0 3 324.399 3.297 20 30 DGEDHN C[C@@H](CCCNCc1cc(C#N)ccc1F)NC(=O)C(C)(C)C ZINC001485746939 1090264538 /nfs/dbraw/zinc/26/45/38/1090264538.db2.gz QQZIHTNLUPTEQI-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001164221685 1090376751 /nfs/dbraw/zinc/37/67/51/1090376751.db2.gz CWYKONNETKZTHI-QWHCGFSZSA-N 0 3 310.388 3.019 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1cc(O)ccc1Cl ZINC001164223264 1090377336 /nfs/dbraw/zinc/37/73/36/1090377336.db2.gz RSGNMSHEJXAFLV-QWHCGFSZSA-N 0 3 324.852 3.100 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1CCC ZINC001299258130 1090377649 /nfs/dbraw/zinc/37/76/49/1090377649.db2.gz CNRZZWHHGMARJB-ROUUACIJSA-N 0 3 300.446 3.164 20 30 DGEDHN CC#CCCCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001164263169 1090388871 /nfs/dbraw/zinc/38/88/71/1090388871.db2.gz ZRNJCEICPWIQDX-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2c(C)cccc2F)CC1 ZINC001168530756 1090393772 /nfs/dbraw/zinc/39/37/72/1090393772.db2.gz KIGDYLRHDGTKQJ-UHFFFAOYSA-N 0 3 324.827 3.376 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1oc(CCC)nc1C ZINC001164323308 1090400720 /nfs/dbraw/zinc/40/07/20/1090400720.db2.gz FRLJYVJPMCUGEG-HNNXBMFYSA-N 0 3 321.465 3.134 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)CC(C)(C)CC)CC1 ZINC001164682211 1090452898 /nfs/dbraw/zinc/45/28/98/1090452898.db2.gz ABEKHUQJOSTMID-UHFFFAOYSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(CC)o1)C2 ZINC001204391213 1090454961 /nfs/dbraw/zinc/45/49/61/1090454961.db2.gz PFODVYCSXGZGOY-RBUKOAKNSA-N 0 3 319.445 3.416 20 30 DGEDHN C=CCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107524281 1090455536 /nfs/dbraw/zinc/45/55/36/1090455536.db2.gz QNZIHRNHSFNJBF-HYUXHOLKSA-N 0 3 310.869 3.456 20 30 DGEDHN C=CCCC1(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)CC1 ZINC001107536186 1090456771 /nfs/dbraw/zinc/45/67/71/1090456771.db2.gz GTAQMKPUFCRMHU-CRAIPNDOSA-N 0 3 308.441 3.063 20 30 DGEDHN Cc1cc(C#N)cc(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)n1 ZINC001165203510 1090479921 /nfs/dbraw/zinc/47/99/21/1090479921.db2.gz XPEMCTKMLRRVQW-IRXDYDNUSA-N 0 3 320.440 3.361 20 30 DGEDHN Cc1cc(C#N)cc(N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)n1 ZINC001165203511 1090480416 /nfs/dbraw/zinc/48/04/16/1090480416.db2.gz XPEMCTKMLRRVQW-SJORKVTESA-N 0 3 320.440 3.361 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c(C)cccc1Cl ZINC001165806421 1090550793 /nfs/dbraw/zinc/55/07/93/1090550793.db2.gz XURLQGNFLARLNF-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1cc(F)ccc1F ZINC001165921605 1090561596 /nfs/dbraw/zinc/56/15/96/1090561596.db2.gz OPIZJFHMKDWDKO-KRWDZBQOSA-N 0 3 310.388 3.163 20 30 DGEDHN COc1ccc([C@@H]2C[C@H](NCC3(C#N)CCC3)CCO2)cc1 ZINC001168577794 1090575010 /nfs/dbraw/zinc/57/50/10/1090575010.db2.gz RLVGRYGYSSAJQF-WBVHZDCISA-N 0 3 300.402 3.199 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC/C=C/c1ccccc1 ZINC001166479378 1090609776 /nfs/dbraw/zinc/60/97/76/1090609776.db2.gz PQGHBRDTYPLYHK-BJMVGYQFSA-N 0 3 306.837 3.328 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](CCC)CC(C)C)C2)CC1 ZINC001272825588 1090646371 /nfs/dbraw/zinc/64/63/71/1090646371.db2.gz HLTUYGRGDHUAQK-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc3occc3c1)CC2 ZINC001272880928 1090666215 /nfs/dbraw/zinc/66/62/15/1090666215.db2.gz SPWLRWKBAOWOHT-QGZVFWFLSA-N 0 3 324.424 3.337 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccoc2C2CC2)CC1 ZINC001166851349 1090667953 /nfs/dbraw/zinc/66/79/53/1090667953.db2.gz YDQCTCJTNYOLPV-UHFFFAOYSA-N 0 3 322.836 3.399 20 30 DGEDHN C=C(C)CN1CCC2(CCN(Cc3ccc(F)cc3)CC2)C1=O ZINC001272915933 1090679639 /nfs/dbraw/zinc/67/96/39/1090679639.db2.gz WWJCRDJCHKKWPY-UHFFFAOYSA-N 0 3 316.420 3.216 20 30 DGEDHN C#CCOc1ccccc1CN[C@H]1COc2cccc(C)c2C1 ZINC001203208282 1090705254 /nfs/dbraw/zinc/70/52/54/1090705254.db2.gz QFLVANPVTWXQFF-QGZVFWFLSA-N 0 3 307.393 3.100 20 30 DGEDHN C=CCOC(=O)N1CCCC2(CCN(Cc3ccco3)CC2)C1 ZINC001203270648 1090710566 /nfs/dbraw/zinc/71/05/66/1090710566.db2.gz LVKXUYACEKJESU-UHFFFAOYSA-N 0 3 318.417 3.280 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001486182815 1090779587 /nfs/dbraw/zinc/77/95/87/1090779587.db2.gz ZPVLYVNBHHOKFA-NVXWUHKLSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cccc(F)c1)C2 ZINC001203785258 1090804293 /nfs/dbraw/zinc/80/42/93/1090804293.db2.gz LRVRZYDGNGQRPV-OALUTQOASA-N 0 3 319.420 3.399 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccnn1[C@H](C)CC)C(C)C ZINC001486369427 1090810679 /nfs/dbraw/zinc/81/06/79/1090810679.db2.gz HJCKYMHTXIROKU-MRXNPFEDSA-N 0 3 320.481 3.213 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C)c(Cl)c1)C(C)C ZINC001486374528 1090811743 /nfs/dbraw/zinc/81/17/43/1090811743.db2.gz ASNHHNZHFFSXJO-UHFFFAOYSA-N 0 3 320.864 3.454 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1c(C)nsc1C)C(C)C ZINC001486380738 1090816754 /nfs/dbraw/zinc/81/67/54/1090816754.db2.gz RGJVWSHADKKYGY-UHFFFAOYSA-N 0 3 309.479 3.118 20 30 DGEDHN CC[C@H](C)CCCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001128168841 1090826735 /nfs/dbraw/zinc/82/67/35/1090826735.db2.gz WHUOQOPIKOXCES-INIZCTEOSA-N 0 3 315.461 3.371 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3CC=CCC3)CC2)CC1 ZINC001486489154 1090855209 /nfs/dbraw/zinc/85/52/09/1090855209.db2.gz BXNQCPXYGPBHPP-QGZVFWFLSA-N 0 3 314.473 3.117 20 30 DGEDHN C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001204034899 1090876900 /nfs/dbraw/zinc/87/69/00/1090876900.db2.gz WFRHOGKTVWVHSW-KRWDZBQOSA-N 0 3 320.458 3.359 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001128245873 1090923589 /nfs/dbraw/zinc/92/35/89/1090923589.db2.gz JRZDXPSAICZXGJ-MRXNPFEDSA-N 0 3 322.399 3.260 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001128252261 1090925083 /nfs/dbraw/zinc/92/50/83/1090925083.db2.gz GTWIZNNHCVYXST-GFCCVEGCSA-N 0 3 310.388 3.334 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC001204356844 1090954642 /nfs/dbraw/zinc/95/46/42/1090954642.db2.gz HZMLFWRFHAVHFH-KRWDZBQOSA-N 0 3 302.418 3.180 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(F)cc3Cl)C2)C1=O ZINC001272998946 1090977737 /nfs/dbraw/zinc/97/77/37/1090977737.db2.gz IKIXWTYIJIXGRU-KRWDZBQOSA-N 0 3 322.811 3.090 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001276469017 1090983003 /nfs/dbraw/zinc/98/30/03/1090983003.db2.gz QMLUHYZJDJWNHJ-INIZCTEOSA-N 0 3 312.457 3.039 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc(F)c3C)CC2)C1=O ZINC001273006386 1090983583 /nfs/dbraw/zinc/98/35/83/1090983583.db2.gz RTVFVFZBPIXMJQ-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cccc(F)c1C)CC2 ZINC001273007130 1090984883 /nfs/dbraw/zinc/98/48/83/1090984883.db2.gz XXSNEAWRPJQFCO-MRXNPFEDSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cccc(F)c1C)C2 ZINC001204512009 1090988337 /nfs/dbraw/zinc/98/83/37/1090988337.db2.gz YEHJNXKBILVPHL-HKUYNNGSSA-N 0 3 319.420 3.460 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001204526547 1090991459 /nfs/dbraw/zinc/99/14/59/1090991459.db2.gz DWNIBFCKDOUTLW-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3cccc(F)c3C#N)c2)CC1 ZINC001204538287 1090994966 /nfs/dbraw/zinc/99/49/66/1090994966.db2.gz ZTANQTPZDAEJSP-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3cccc(CC#N)c3)c2)CC1 ZINC001204574595 1091001645 /nfs/dbraw/zinc/00/16/45/1091001645.db2.gz ONILEPVFGDRQKY-UHFFFAOYSA-N 0 3 320.440 3.244 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2CCc1ccccc1F ZINC001273037498 1091011492 /nfs/dbraw/zinc/01/14/92/1091011492.db2.gz ZSDAKOXLPZKVCW-IBGZPJMESA-N 0 3 316.420 3.011 20 30 DGEDHN Cc1oc(Nc2ccc(CN3CCN(C)CC3)cc2)c(C#N)c1C ZINC001204734272 1091025349 /nfs/dbraw/zinc/02/53/49/1091025349.db2.gz OKGRHZDVISQNGP-UHFFFAOYSA-N 0 3 324.428 3.259 20 30 DGEDHN Cc1cccc(Nc2ccc(CN3CCN(C)CC3)cc2)c1C#N ZINC001204746819 1091027924 /nfs/dbraw/zinc/02/79/24/1091027924.db2.gz FBHRXDWZDBZGMF-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccccc3CC#N)cc2)CC1 ZINC001204751199 1091029244 /nfs/dbraw/zinc/02/92/44/1091029244.db2.gz LSGIOHPMXGLOPH-UHFFFAOYSA-N 0 3 320.440 3.244 20 30 DGEDHN C#Cc1cc(Nc2ccc(CN3CCN(C)CC3)cc2)ccc1F ZINC001204751759 1091029795 /nfs/dbraw/zinc/02/97/95/1091029795.db2.gz YPOPZYWPNUYVJC-UHFFFAOYSA-N 0 3 323.415 3.298 20 30 DGEDHN CC[C@@H](C)[C@@H](CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC001204750109 1091030108 /nfs/dbraw/zinc/03/01/08/1091030108.db2.gz WAUBDZSHZXJQIR-CRAIPNDOSA-N 0 3 304.434 3.068 20 30 DGEDHN C[C@H](CCCCNCc1ccccc1C#N)NC(=O)CC1CC1 ZINC001168740472 1091035427 /nfs/dbraw/zinc/03/54/27/1091035427.db2.gz WXTKOFNQCSNRCS-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108136068 1091129241 /nfs/dbraw/zinc/12/92/41/1091129241.db2.gz OOSIGGFVIPDLDX-NROPBOCCSA-N 0 3 320.477 3.071 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001292471567 1091160696 /nfs/dbraw/zinc/16/06/96/1091160696.db2.gz WTTYBEWZQZJPAD-UHFFFAOYSA-N 0 3 324.415 3.457 20 30 DGEDHN C#CCOc1ccc(CN2CCC3(CC(F)(F)CO3)CC2)cc1 ZINC001138556253 1091229040 /nfs/dbraw/zinc/22/90/40/1091229040.db2.gz MEAKDVHXRWYTRH-UHFFFAOYSA-N 0 3 321.367 3.089 20 30 DGEDHN CC1(C)[C@@H](NCc2cccc(C#N)n2)C[C@@H]1OCc1ccccc1 ZINC001205489598 1091234396 /nfs/dbraw/zinc/23/43/96/1091234396.db2.gz VCTLUWCYSQVIEZ-OALUTQOASA-N 0 3 321.424 3.427 20 30 DGEDHN CC#CCNC1(CNC(=O)CC/C=C\c2ccccc2)CCC1 ZINC001273153932 1091249353 /nfs/dbraw/zinc/24/93/53/1091249353.db2.gz IMQAZOWAZJOSLC-GHXNOFRVSA-N 0 3 310.441 3.132 20 30 DGEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c1[O-] ZINC001138625875 1091260867 /nfs/dbraw/zinc/26/08/67/1091260867.db2.gz VQMCVIMWEOPIOY-KRWDZBQOSA-N 0 3 301.430 3.105 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c1[O-] ZINC001138628750 1091261794 /nfs/dbraw/zinc/26/17/94/1091261794.db2.gz DCZUNVCOGQKGHX-BPQIPLTHSA-N 0 3 301.430 3.368 20 30 DGEDHN C=CCc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c1[O-] ZINC001138628750 1091261800 /nfs/dbraw/zinc/26/18/00/1091261800.db2.gz DCZUNVCOGQKGHX-BPQIPLTHSA-N 0 3 301.430 3.368 20 30 DGEDHN C=CCc1cccc(CN2CCCC[C@H]2C(=O)NCCC)c1O ZINC001138629331 1091263297 /nfs/dbraw/zinc/26/32/97/1091263297.db2.gz UYBYZHIZNLCTQG-KRWDZBQOSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCC)c1[O-] ZINC001138629331 1091263318 /nfs/dbraw/zinc/26/33/18/1091263318.db2.gz UYBYZHIZNLCTQG-KRWDZBQOSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCC)c1[O-] ZINC001138629331 1091263328 /nfs/dbraw/zinc/26/33/28/1091263328.db2.gz UYBYZHIZNLCTQG-KRWDZBQOSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCc1cccc(C[N@@H+](CCC(=O)OC)C2CCCC2)c1[O-] ZINC001138629475 1091263617 /nfs/dbraw/zinc/26/36/17/1091263617.db2.gz ZYYBMILJRSYUDP-UHFFFAOYSA-N 0 3 317.429 3.428 20 30 DGEDHN C=CCc1cccc(C[N@H+](CCC(=O)OC)C2CCCC2)c1[O-] ZINC001138629475 1091263623 /nfs/dbraw/zinc/26/36/23/1091263623.db2.gz ZYYBMILJRSYUDP-UHFFFAOYSA-N 0 3 317.429 3.428 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1[O-] ZINC001138630075 1091264336 /nfs/dbraw/zinc/26/43/36/1091264336.db2.gz QGNHOGNGAYEKQP-INIZCTEOSA-N 0 3 301.430 3.369 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](COCC3CC3)C2)c1[O-] ZINC001138630075 1091264343 /nfs/dbraw/zinc/26/43/43/1091264343.db2.gz QGNHOGNGAYEKQP-INIZCTEOSA-N 0 3 301.430 3.369 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC[C@@H](C(=O)OCC)C1 ZINC001138665808 1091281179 /nfs/dbraw/zinc/28/11/79/1091281179.db2.gz WTMOTURUEUCEIN-MRXNPFEDSA-N 0 3 303.402 3.027 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\c1ccco1 ZINC001098867053 1091394860 /nfs/dbraw/zinc/39/48/60/1091394860.db2.gz CBECIKQXLJCAOH-ZPIQOJFGSA-N 0 3 302.418 3.086 20 30 DGEDHN CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001206040048 1091465799 /nfs/dbraw/zinc/46/57/99/1091465799.db2.gz DNIWZNFSGBLHQJ-NVXWUHKLSA-N 0 3 318.461 3.413 20 30 DGEDHN CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001206040048 1091465805 /nfs/dbraw/zinc/46/58/05/1091465805.db2.gz DNIWZNFSGBLHQJ-NVXWUHKLSA-N 0 3 318.461 3.413 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3c(c2)CCCC3=O)no1 ZINC001206094411 1091488801 /nfs/dbraw/zinc/48/88/01/1091488801.db2.gz METYURKDVLTNJJ-UHFFFAOYSA-N 0 3 323.396 3.365 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001206099756 1091492529 /nfs/dbraw/zinc/49/25/29/1091492529.db2.gz CMQLIYKYUUPHOC-UHFFFAOYSA-N 0 3 324.306 3.259 20 30 DGEDHN O=C1C=C2CN(Cc3cc(Cl)cnc3Cl)CCC2S1 ZINC001139351945 1091529718 /nfs/dbraw/zinc/52/97/18/1091529718.db2.gz KGJBQFOVHXQDDL-NSHDSACASA-N 0 3 315.225 3.163 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001084727766 1091548213 /nfs/dbraw/zinc/54/82/13/1091548213.db2.gz BYWANKMMKYSXKL-IIDMSEBBSA-N 0 3 316.420 3.038 20 30 DGEDHN CCOC(=O)CCN(C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407223 1091551196 /nfs/dbraw/zinc/55/11/96/1091551196.db2.gz VHXKUUWDOFJVHD-UHFFFAOYSA-N 0 3 323.396 3.005 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4sccc4c3)[C@@H]2C1 ZINC001084751356 1091552492 /nfs/dbraw/zinc/55/24/92/1091552492.db2.gz IKAJEIQOZYLRTE-IAGOWNOFSA-N 0 3 324.449 3.071 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)CSC(C)C ZINC001098915320 1091555043 /nfs/dbraw/zinc/55/50/43/1091555043.db2.gz HSLZBZREISRINZ-HNNXBMFYSA-N 0 3 312.523 3.311 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc(C4CCC4)c3)[C@@H]2C1 ZINC001084775031 1091560022 /nfs/dbraw/zinc/56/00/22/1091560022.db2.gz PVTAWWLVOHZCAS-WOJBJXKFSA-N 0 3 322.452 3.124 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)s3)[C@@H]2C1 ZINC001084818721 1091583200 /nfs/dbraw/zinc/58/32/00/1091583200.db2.gz PFSKLAFRYNEBMM-HUUCEWRRSA-N 0 3 304.459 3.087 20 30 DGEDHN C=C[C@@H](C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21)c1ccccc1 ZINC001084847129 1091587151 /nfs/dbraw/zinc/58/71/51/1091587151.db2.gz LBDDBBLZVNGAHD-GUDVDZBRSA-N 0 3 310.441 3.065 20 30 DGEDHN C=CCCCCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001206406823 1091618620 /nfs/dbraw/zinc/61/86/20/1091618620.db2.gz DGYNIZAFJVCPJY-UKRRQHHQSA-N 0 3 321.490 3.248 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)C3CC3)C[C@@H]21 ZINC001084989048 1091630917 /nfs/dbraw/zinc/63/09/17/1091630917.db2.gz ZRYCNWITJUGAOD-UXPWSPDFSA-N 0 3 324.468 3.289 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001139650549 1091633755 /nfs/dbraw/zinc/63/37/55/1091633755.db2.gz LDLWXIDAEWAITG-ROUUACIJSA-N 0 3 319.399 3.096 20 30 DGEDHN CN(CCN(C)Cc1cc(C#N)ccc1F)Cc1ccccc1 ZINC001139649739 1091634018 /nfs/dbraw/zinc/63/40/18/1091634018.db2.gz CTWWUFOZZNWLLZ-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C[C@@H]21 ZINC001084993757 1091634196 /nfs/dbraw/zinc/63/41/96/1091634196.db2.gz ZTDJRTORJBZURD-BOFXEDATSA-N 0 3 324.468 3.073 20 30 DGEDHN Cc1nc(C2CCN(Cc3c[nH]c4c3cccc4C#N)CC2)no1 ZINC001139703075 1091646134 /nfs/dbraw/zinc/64/61/34/1091646134.db2.gz IMLRSYPTHOJIOQ-UHFFFAOYSA-N 0 3 321.384 3.111 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2cccc(CC)c2)C[C@H]1C ZINC001206490504 1091647323 /nfs/dbraw/zinc/64/73/23/1091647323.db2.gz NTYGBBNVMYACCQ-CRAIPNDOSA-N 0 3 300.446 3.152 20 30 DGEDHN Cc1ccc(CN(C)CCCC(=O)c2cccnc2)cc1C#N ZINC001139726395 1091656714 /nfs/dbraw/zinc/65/67/14/1091656714.db2.gz MFOZNETZAFWDMA-UHFFFAOYSA-N 0 3 307.397 3.357 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)cc3)C[C@@H]21 ZINC001085078023 1091661133 /nfs/dbraw/zinc/66/11/33/1091661133.db2.gz WJHFPCPNYGSYKJ-QRQLOZEOSA-N 0 3 312.457 3.207 20 30 DGEDHN CCC1(CN2CCC(C#N)(c3ccccc3F)CC2)COC1 ZINC001202968958 1091665796 /nfs/dbraw/zinc/66/57/96/1091665796.db2.gz MMEZNJZCBOUUKG-UHFFFAOYSA-N 0 3 302.393 3.109 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3)C[C@@H]21 ZINC001085087676 1091666246 /nfs/dbraw/zinc/66/62/46/1091666246.db2.gz OTTBLQFOLGHYAH-SXLOBPIMSA-N 0 3 324.468 3.126 20 30 DGEDHN C=CCn1cc(CN2CCC3(CC(OCC4CC4)C3)CC2)cn1 ZINC001139771534 1091668659 /nfs/dbraw/zinc/66/86/59/1091668659.db2.gz GSCABCYMQNIBDL-UHFFFAOYSA-N 0 3 315.461 3.240 20 30 DGEDHN CN(C/C=C/c1ccc(F)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001206576803 1091674530 /nfs/dbraw/zinc/67/45/30/1091674530.db2.gz FKDOVOAVMGGJGY-JUGMSXHOSA-N 0 3 310.372 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C)c1 ZINC001085123614 1091681619 /nfs/dbraw/zinc/68/16/19/1091681619.db2.gz JONVAXPQBKUUDS-HZPDHXFCSA-N 0 3 306.837 3.378 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCc1ccc(Cl)cc1 ZINC001139865535 1091695644 /nfs/dbraw/zinc/69/56/44/1091695644.db2.gz KKXWPBDHTSHFEE-UHFFFAOYSA-N 0 3 308.853 3.239 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1coc2c1cccc2OC ZINC001139870111 1091696985 /nfs/dbraw/zinc/69/69/85/1091696985.db2.gz YQPCUVMDMICBCR-UHFFFAOYSA-N 0 3 316.401 3.021 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccoc1Cl ZINC001085181452 1091698707 /nfs/dbraw/zinc/69/87/07/1091698707.db2.gz CMXAYXBGRPHJOQ-VXGBXAGGSA-N 0 3 317.216 3.316 20 30 DGEDHN CC(C)(O)CN(Cc1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC001139876344 1091699232 /nfs/dbraw/zinc/69/92/32/1091699232.db2.gz SLXVREOXUNFBGI-UHFFFAOYSA-N 0 3 312.388 3.470 20 30 DGEDHN CN(CCCNC(=O)OC(C)(C)C)Cc1cc(F)cc(C#N)c1 ZINC001139877505 1091699329 /nfs/dbraw/zinc/69/93/29/1091699329.db2.gz MFQMBDXZLQGOHF-UHFFFAOYSA-N 0 3 321.396 3.044 20 30 DGEDHN CCCCCCCN1C[C@@H](C)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001206692482 1091703664 /nfs/dbraw/zinc/70/36/64/1091703664.db2.gz MUSYUORSTAQDQN-HUUCEWRRSA-N 0 3 310.482 3.009 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202985099 1091719363 /nfs/dbraw/zinc/71/93/63/1091719363.db2.gz BEOIADWEYZEKCL-CABCVRRESA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001085243328 1091723751 /nfs/dbraw/zinc/72/37/51/1091723751.db2.gz FDSFBFQFQGUGGB-RRFJBIMHSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C)cn1 ZINC001085281522 1091732634 /nfs/dbraw/zinc/73/26/34/1091732634.db2.gz XORDTFAAXPLJMP-HUUCEWRRSA-N 0 3 321.852 3.082 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@]4(C3)CC(F)(F)CO4)c2c1 ZINC001140116057 1091773444 /nfs/dbraw/zinc/77/34/44/1091773444.db2.gz PQBOXYMLLBQPBG-MRXNPFEDSA-N 0 3 317.339 3.040 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)c2ccco2)C1 ZINC001316660572 1091788469 /nfs/dbraw/zinc/78/84/69/1091788469.db2.gz PGQQQRCZPNAXLT-MELADBBJSA-N 0 3 310.825 3.010 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(CCC)s2)C1=O ZINC001273340585 1091816235 /nfs/dbraw/zinc/81/62/35/1091816235.db2.gz GVUQEZSNHNHTHP-GOSISDBHSA-N 0 3 318.486 3.454 20 30 DGEDHN Cn1cc(CN2CC[C@H](Sc3ccc(F)cc3)C2)cc1C#N ZINC001207110185 1091846911 /nfs/dbraw/zinc/84/69/11/1091846911.db2.gz GAYJEBNPQKXQPQ-KRWDZBQOSA-N 0 3 315.417 3.402 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nc(C(C)C)oc1C ZINC001085594789 1091847030 /nfs/dbraw/zinc/84/70/30/1091847030.db2.gz PNCRGFLOPNPLPP-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1C ZINC001085610230 1091853931 /nfs/dbraw/zinc/85/39/31/1091853931.db2.gz MSRDUBRDDMXGED-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1C ZINC001085610231 1091853963 /nfs/dbraw/zinc/85/39/63/1091853963.db2.gz MSRDUBRDDMXGED-CQSZACIVSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001085640820 1091867102 /nfs/dbraw/zinc/86/71/02/1091867102.db2.gz WPOSVJMLXVMZQU-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1cccc(F)c1 ZINC001297380304 1091872832 /nfs/dbraw/zinc/87/28/32/1091872832.db2.gz VOLGXRKCBAIOQR-UHFFFAOYSA-N 0 3 306.425 3.070 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc2cc(F)ccc12 ZINC001085681559 1091879487 /nfs/dbraw/zinc/87/94/87/1091879487.db2.gz AHZUPHNHWQWSCY-AWEZNQCLSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001085672038 1091880394 /nfs/dbraw/zinc/88/03/94/1091880394.db2.gz NOKRIYJBLYIENF-IXDOHACOSA-N 0 3 318.486 3.351 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698031 1091883774 /nfs/dbraw/zinc/88/37/74/1091883774.db2.gz ASAYAMBOIPWWCA-INIZCTEOSA-N 0 3 313.445 3.072 20 30 DGEDHN C=CCN(CCN1CCC[C@H](C(F)F)C1)C(=O)OC(C)(C)C ZINC001207205167 1091886996 /nfs/dbraw/zinc/88/69/96/1091886996.db2.gz GFSSSNJIWMWIOJ-ZDUSSCGKSA-N 0 3 318.408 3.387 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085708229 1091889556 /nfs/dbraw/zinc/88/95/56/1091889556.db2.gz CDAUFIUYYDXKBR-MRXNPFEDSA-N 0 3 304.409 3.247 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207232458 1091894372 /nfs/dbraw/zinc/89/43/72/1091894372.db2.gz LEVPPIDGQMDKIK-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCN1CCN(CC(C)(C)Sc2ccc(Cl)cc2)CC1 ZINC001207296211 1091915871 /nfs/dbraw/zinc/91/58/71/1091915871.db2.gz IYQMNXIFEKDUII-UHFFFAOYSA-N 0 3 322.905 3.462 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)cc1C ZINC001085795692 1091942639 /nfs/dbraw/zinc/94/26/39/1091942639.db2.gz YWAIBFOGHQOAQC-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1C ZINC001085795693 1091942794 /nfs/dbraw/zinc/94/27/94/1091942794.db2.gz YWAIBFOGHQOAQC-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCN1CCC2(CCN(Cc3ccc(CCC)cc3)CC2)C1=O ZINC001273363872 1091947540 /nfs/dbraw/zinc/94/75/40/1091947540.db2.gz RCTFFRDILADLCC-UHFFFAOYSA-N 0 3 324.468 3.087 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085818176 1091955191 /nfs/dbraw/zinc/95/51/91/1091955191.db2.gz SYJTVLKBXYSLIL-HNNXBMFYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085855338 1091982570 /nfs/dbraw/zinc/98/25/70/1091982570.db2.gz VYIUEURNWUWOPF-GOSISDBHSA-N 0 3 311.429 3.052 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2nc(C)ccc2c1 ZINC001085883533 1091996253 /nfs/dbraw/zinc/99/62/53/1091996253.db2.gz GNMJTUQRQDYPEI-SFHVURJKSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001207635890 1092054056 /nfs/dbraw/zinc/05/40/56/1092054056.db2.gz OADQHRPNFLFUEO-MRXNPFEDSA-N 0 3 308.372 3.012 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1csc2c1CCCC2 ZINC001085961438 1092058138 /nfs/dbraw/zinc/05/81/38/1092058138.db2.gz GAPDNKJSYCIBIC-AWEZNQCLSA-N 0 3 318.486 3.349 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1-c1ccccc1 ZINC001085972649 1092068369 /nfs/dbraw/zinc/06/83/69/1092068369.db2.gz FKYAFBPAUPBRPP-QGZVFWFLSA-N 0 3 323.440 3.404 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1-c1ccccc1 ZINC001085972648 1092068757 /nfs/dbraw/zinc/06/87/57/1092068757.db2.gz FKYAFBPAUPBRPP-KRWDZBQOSA-N 0 3 323.440 3.404 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001085992774 1092081251 /nfs/dbraw/zinc/08/12/51/1092081251.db2.gz UBWYKINFXHLSFV-INIZCTEOSA-N 0 3 312.457 3.206 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(CC)CCc2ccccc2F)C1 ZINC001493016838 1092115697 /nfs/dbraw/zinc/11/56/97/1092115697.db2.gz QZRZPDRZZBGISG-UHFFFAOYSA-N 0 3 318.436 3.163 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001207863058 1092123785 /nfs/dbraw/zinc/12/37/85/1092123785.db2.gz FRELUAHUBPKCJU-ZDUSSCGKSA-N 0 3 317.260 3.080 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001086084076 1092128065 /nfs/dbraw/zinc/12/80/65/1092128065.db2.gz BMVLCYZCWPEARV-DEQVHRJGSA-N 0 3 322.836 3.254 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001086143027 1092141192 /nfs/dbraw/zinc/14/11/92/1092141192.db2.gz VZORDJIROWCDIS-QKPAOTATSA-N 0 3 324.896 3.462 20 30 DGEDHN N#Cc1cc(F)ccc1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001141168118 1092159868 /nfs/dbraw/zinc/15/98/68/1092159868.db2.gz HCYHPCIXPBGZSH-ROUUACIJSA-N 0 3 319.399 3.096 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001086254768 1092178804 /nfs/dbraw/zinc/17/88/04/1092178804.db2.gz RXCUGDZWUGLADH-XBXGTLAGSA-N 0 3 324.852 3.255 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2ccnc(Cl)c2)CC1 ZINC001491579176 1092181410 /nfs/dbraw/zinc/18/14/10/1092181410.db2.gz KRWYZTKIKMLZDK-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001086261617 1092182564 /nfs/dbraw/zinc/18/25/64/1092182564.db2.gz JWFWCHYQHMDIHI-GASCZTMLSA-N 0 3 306.837 3.154 20 30 DGEDHN CC1(CN2CCC(C#N)(c3ccccc3F)CC2)CCOCC1 ZINC001208083323 1092191280 /nfs/dbraw/zinc/19/12/80/1092191280.db2.gz UNHJGUFETDCXSJ-UHFFFAOYSA-N 0 3 316.420 3.500 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCC(O)=C(C(=O)OCC)CC2)CC1 ZINC001208177549 1092241598 /nfs/dbraw/zinc/24/15/98/1092241598.db2.gz UGRKPRPQNMWSLC-SJORKVTESA-N 0 3 319.445 3.133 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@H](Oc3ncc(F)cn3)C2)CC1 ZINC001208179178 1092242933 /nfs/dbraw/zinc/24/29/33/1092242933.db2.gz PYODJXUWQDILQD-NVXWUHKLSA-N 0 3 317.408 3.371 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@H](NC(=O)NC(C)C)C2)CC1 ZINC001208178525 1092244741 /nfs/dbraw/zinc/24/47/41/1092244741.db2.gz JCBPVRPIDNGTEM-MSOLQXFVSA-N 0 3 319.493 3.461 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001086429983 1092248500 /nfs/dbraw/zinc/24/85/00/1092248500.db2.gz UAHOPWKUMPTLOT-CTYIDZIISA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@H]2C2CC2)C1 ZINC001086438017 1092253357 /nfs/dbraw/zinc/25/33/57/1092253357.db2.gz ZFJHTFWURDBWOI-HJWJTTGWSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2occc2C(C)C)C1 ZINC001086456887 1092259975 /nfs/dbraw/zinc/25/99/75/1092259975.db2.gz ZWCUDKBZLFEEPY-JOCQHMNTSA-N 0 3 310.825 3.254 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001086487640 1092275316 /nfs/dbraw/zinc/27/53/16/1092275316.db2.gz ILODCFDAYKJDMF-VGWMRTNUSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001208240566 1092290737 /nfs/dbraw/zinc/29/07/37/1092290737.db2.gz OIPHTZJYEIMMJM-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C ZINC001208309465 1092306467 /nfs/dbraw/zinc/30/64/67/1092306467.db2.gz MDRPGSBYAKCJGM-CHWSQXEVSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(C)c1Cl ZINC001168780873 1092318557 /nfs/dbraw/zinc/31/85/57/1092318557.db2.gz AITDZALKJHYBRD-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001208374395 1092334010 /nfs/dbraw/zinc/33/40/10/1092334010.db2.gz JALOPYCHMWMGKL-RHSMWYFYSA-N 0 3 318.486 3.187 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001086525351 1092341885 /nfs/dbraw/zinc/34/18/85/1092341885.db2.gz ORRROQDVNHOLEA-XYPYZODXSA-N 0 3 323.849 3.080 20 30 DGEDHN O[C@H]1CCCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141972079 1092372282 /nfs/dbraw/zinc/37/22/82/1092372282.db2.gz AZEKCNOQEOYSIY-KRWDZBQOSA-N 0 3 311.450 3.495 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001168864413 1092404556 /nfs/dbraw/zinc/40/45/56/1092404556.db2.gz DVJNPZQVPQVTQV-MRXNPFEDSA-N 0 3 315.461 3.369 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1c(C)ccn1C ZINC001492147970 1092407461 /nfs/dbraw/zinc/40/74/61/1092407461.db2.gz CVUTZLFZYSORMZ-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC2SC(=O)C=C2C1 ZINC001142167519 1092425965 /nfs/dbraw/zinc/42/59/65/1092425965.db2.gz FTTCLZFAVNHGQE-HNNXBMFYSA-N 0 3 319.474 3.029 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(CCC1CCCC1)CC2 ZINC001208693617 1092458917 /nfs/dbraw/zinc/45/89/17/1092458917.db2.gz MJENTILVISONPX-UHFFFAOYSA-N 0 3 303.450 3.061 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC001276586921 1092504128 /nfs/dbraw/zinc/50/41/28/1092504128.db2.gz RPVKYOALVKNJRQ-HNNXBMFYSA-N 0 3 321.490 3.330 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC001276586922 1092504257 /nfs/dbraw/zinc/50/42/57/1092504257.db2.gz RPVKYOALVKNJRQ-OAHLLOKOSA-N 0 3 321.490 3.330 20 30 DGEDHN N#Cc1cccc(CCCN2CCN(c3ccc(O)cc3)CC2)c1 ZINC001208844472 1092540314 /nfs/dbraw/zinc/54/03/14/1092540314.db2.gz IULQMPMZMVQUHI-UHFFFAOYSA-N 0 3 321.424 3.019 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(CC1(C)CCCCC1)CC2 ZINC001208898894 1092573201 /nfs/dbraw/zinc/57/32/01/1092573201.db2.gz HNAPTUMYHIHDTI-UHFFFAOYSA-N 0 3 317.477 3.451 20 30 DGEDHN N#Cc1ccc2c(CN(CCO)Cc3ccccc3)c[nH]c2c1 ZINC001142912233 1092583988 /nfs/dbraw/zinc/58/39/88/1092583988.db2.gz YWJOVJKTEWGEHP-UHFFFAOYSA-N 0 3 305.381 3.034 20 30 DGEDHN CN1CCN(CCc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001208926405 1092589749 /nfs/dbraw/zinc/58/97/49/1092589749.db2.gz RMNLLQODYIAEKL-FQEVSTJZSA-N 0 3 305.425 3.089 20 30 DGEDHN C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001169235814 1092610223 /nfs/dbraw/zinc/61/02/23/1092610223.db2.gz CWQYIFQDUJDUCU-OAHLLOKOSA-N 0 3 304.434 3.237 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C(C)(C)C1 ZINC001276609729 1092628092 /nfs/dbraw/zinc/62/80/92/1092628092.db2.gz YBOAOTORTUEVNP-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001209029488 1092629800 /nfs/dbraw/zinc/62/98/00/1092629800.db2.gz POGRUWUTJBZNMQ-NZSAHSFTSA-N 0 3 314.473 3.268 20 30 DGEDHN CCCCCCCCCCN(C)C(=O)c1[nH]nc2c1CNC2 ZINC001161226208 1092635026 /nfs/dbraw/zinc/63/50/26/1092635026.db2.gz HJLQBGMYNREZQZ-UHFFFAOYSA-N 0 3 306.454 3.226 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001209146072 1092670528 /nfs/dbraw/zinc/67/05/28/1092670528.db2.gz KIBHZNDQWPLDSX-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001209146858 1092672167 /nfs/dbraw/zinc/67/21/67/1092672167.db2.gz RJUCJHJAQVNTSY-DLBZAZTESA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2cncc(C)c2)C1 ZINC001209146761 1092672539 /nfs/dbraw/zinc/67/25/39/1092672539.db2.gz QJUKJJLHFBTEEF-SJLPKXTDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001209182620 1092684394 /nfs/dbraw/zinc/68/43/94/1092684394.db2.gz FTKXAWTYMHCRJX-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCCN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001209201199 1092691073 /nfs/dbraw/zinc/69/10/73/1092691073.db2.gz WOFCLUTVXJTMFC-KRWDZBQOSA-N 0 3 303.450 3.098 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001209198064 1092691847 /nfs/dbraw/zinc/69/18/47/1092691847.db2.gz NIUBMIGWPRNXAJ-JFIYKMOQSA-N 0 3 300.446 3.193 20 30 DGEDHN C#CCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209268390 1092719743 /nfs/dbraw/zinc/71/97/43/1092719743.db2.gz GWCXCOUZCNWFQI-UHFFFAOYSA-N 0 3 312.335 3.121 20 30 DGEDHN CC(C)(C)OC(=O)NCCCCN(CCC#N)C1CCCC1 ZINC001209363613 1092743814 /nfs/dbraw/zinc/74/38/14/1092743814.db2.gz KMPFEHRBXXGPDN-UHFFFAOYSA-N 0 3 309.454 3.450 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCCCCC(C)C)C1 ZINC001150411072 1092777677 /nfs/dbraw/zinc/77/76/77/1092777677.db2.gz SSOWPARDKBKOJT-SFHVURJKSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001150796645 1092827732 /nfs/dbraw/zinc/82/77/32/1092827732.db2.gz WXHQMBSLEQYZBB-QZTJIDSGSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001209867709 1092956249 /nfs/dbraw/zinc/95/62/49/1092956249.db2.gz ZYEJWQZPACZDOS-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001211269047 1093439539 /nfs/dbraw/zinc/43/95/39/1093439539.db2.gz ZWYVXYPHOHBPHD-IIDMSEBBSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)c2F)C1 ZINC001214302208 1093752571 /nfs/dbraw/zinc/75/25/71/1093752571.db2.gz WOWGYCWBKDZCPG-IUODEOHRSA-N 0 3 324.827 3.382 20 30 DGEDHN CCC(=CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1)CC ZINC001214435949 1093774181 /nfs/dbraw/zinc/77/41/81/1093774181.db2.gz VIXZYMWKOSQGMU-YLJYHZDGSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001215366068 1093969185 /nfs/dbraw/zinc/96/91/85/1093969185.db2.gz YFQFWUOIIURJHW-HDMKZQKVSA-N 0 3 318.436 3.365 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001215376197 1093971700 /nfs/dbraw/zinc/97/17/00/1093971700.db2.gz HLOOFPFFYNCJLH-RVKKMQEKSA-N 0 3 318.436 3.365 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)c(F)c3)n2)cc1 ZINC001216533780 1094214370 /nfs/dbraw/zinc/21/43/70/1094214370.db2.gz QIPDJKPASRFJEP-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN C=C(C)[C@@H](NC[C@@H]1CCC2(COC2)O1)c1ccc(F)c(F)c1 ZINC001119823750 1094294858 /nfs/dbraw/zinc/29/48/58/1094294858.db2.gz UPWQJYQNKJJTFF-XJKSGUPXSA-N 0 3 309.356 3.120 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CCCCC)[C@H]2C1 ZINC001217311325 1094368401 /nfs/dbraw/zinc/36/84/01/1094368401.db2.gz QJOXQEKUONUCOY-ZWKOTPCHSA-N 0 3 324.509 3.449 20 30 DGEDHN CC/C=C(/C)C(=O)N1CCO[C@@H]2CN(CCCCCCC)C[C@@H]21 ZINC001217420904 1094406844 /nfs/dbraw/zinc/40/68/44/1094406844.db2.gz SEVGJCOODZOXHG-ARLDCUANSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CCCC1(C(=O)N2CCC[C@@H]([C@H]3CCCN3CCF)C2)CC1 ZINC001120432160 1094430098 /nfs/dbraw/zinc/43/00/98/1094430098.db2.gz YTOQVISCPUAHMP-IAGOWNOFSA-N 0 3 322.468 3.405 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nccs1 ZINC001135185024 1094434931 /nfs/dbraw/zinc/43/49/31/1094434931.db2.gz SGYMGSUYYSXAPL-CHWSQXEVSA-N 0 3 309.479 3.118 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135239355 1094455829 /nfs/dbraw/zinc/45/58/29/1094455829.db2.gz YIOGDBRATZFVIO-KBPBESRZSA-N 0 3 321.490 3.018 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC001135230673 1094460717 /nfs/dbraw/zinc/46/07/17/1094460717.db2.gz QFVRUIMTORPURK-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)C(C)(C)CC ZINC001135329592 1094491067 /nfs/dbraw/zinc/49/10/67/1094491067.db2.gz GKIHYZYWYXPBNZ-NEPJUHHUSA-N 0 3 319.287 3.204 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)CC ZINC001135329593 1094491291 /nfs/dbraw/zinc/49/12/91/1094491291.db2.gz GKIHYZYWYXPBNZ-NWDGAFQWSA-N 0 3 319.287 3.204 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001135357944 1094502048 /nfs/dbraw/zinc/50/20/48/1094502048.db2.gz KCKJKOVGCXUJBP-UONOGXRCSA-N 0 3 321.465 3.275 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)sc1C ZINC001135358727 1094503477 /nfs/dbraw/zinc/50/34/77/1094503477.db2.gz XMTNOFJXRMWOOH-OLZOCXBDSA-N 0 3 323.506 3.489 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001135358728 1094503621 /nfs/dbraw/zinc/50/36/21/1094503621.db2.gz XMTNOFJXRMWOOH-QWHCGFSZSA-N 0 3 323.506 3.489 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2conc2C)CCC1 ZINC001135394284 1094513842 /nfs/dbraw/zinc/51/38/42/1094513842.db2.gz FIBCMOUWKFTDHN-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2ccccc2C#N)CC1 ZINC001135398206 1094517022 /nfs/dbraw/zinc/51/70/22/1094517022.db2.gz IMQSJYQKOGIEGG-GJZGRUSLSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@H](C)NCc2conc2C)CC1 ZINC001135416427 1094528067 /nfs/dbraw/zinc/52/80/67/1094528067.db2.gz TYESQIRUKVPWPZ-UONOGXRCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2oc(C)nc2C)C1 ZINC001135426892 1094534742 /nfs/dbraw/zinc/53/47/42/1094534742.db2.gz JEXRWPWQJVEVTM-QWHCGFSZSA-N 0 3 319.449 3.021 20 30 DGEDHN N#Cc1ccc(-c2ccc(O[C@H]3CC[C@@H]4NCCO[C@@H]43)cc2)cc1 ZINC001218123870 1094620448 /nfs/dbraw/zinc/62/04/48/1094620448.db2.gz OOIPHDKAXMACFC-UFYCRDLUSA-N 0 3 320.392 3.123 20 30 DGEDHN CCN(CC)c1ccc(C=[NH+]Cc2cc(C)c[nH]c2=O)c([O-])c1 ZINC001336369920 1094635861 /nfs/dbraw/zinc/63/58/61/1094635861.db2.gz PPIOINZXXVAKQR-ODLFYWEKSA-N 0 3 313.401 3.267 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)C2CC2)C1 ZINC001103759548 1094734665 /nfs/dbraw/zinc/73/46/65/1094734665.db2.gz TXZUFFJWHAXUJC-WOSRLPQWSA-N 0 3 312.885 3.249 20 30 DGEDHN C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CN[C@@H]2C)c1 ZINC001218385784 1094743204 /nfs/dbraw/zinc/74/32/04/1094743204.db2.gz LOEDRCNASRTBDA-AUUYWEPGSA-N 0 3 323.392 3.222 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121841541 1094790840 /nfs/dbraw/zinc/79/08/40/1094790840.db2.gz GGFNXJZQZHBOLR-UHFFFAOYSA-N 0 3 310.869 3.358 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@@H](C)c1cccc(OC)c1 ZINC001121848153 1094793690 /nfs/dbraw/zinc/79/36/90/1094793690.db2.gz HRHCLZMNFJMRQK-WMLDXEAASA-N 0 3 304.434 3.288 20 30 DGEDHN C=CCC[C@H]1CCCN1C(=O)NC1CCN(CC(=C)C)CC1 ZINC001121867785 1094801654 /nfs/dbraw/zinc/80/16/54/1094801654.db2.gz MSHUMMNPVDFLHP-KRWDZBQOSA-N 0 3 305.466 3.167 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)ccc2F)C1 ZINC001086815470 1094814307 /nfs/dbraw/zinc/81/43/07/1094814307.db2.gz VKYSWLNOFSOTHD-UONOGXRCSA-N 0 3 324.827 3.375 20 30 DGEDHN N#Cc1c(O[C@@H]2CNCc3ccccc32)cnc2ccccc21 ZINC001218493134 1094820673 /nfs/dbraw/zinc/82/06/73/1094820673.db2.gz IJGQNTDDKDTOPB-GOSISDBHSA-N 0 3 301.349 3.330 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1NCC(F)(F)F ZINC001121913837 1094825416 /nfs/dbraw/zinc/82/54/16/1094825416.db2.gz KOYILBUGKLHBCB-NSHDSACASA-N 0 3 315.339 3.283 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC001337068958 1094840057 /nfs/dbraw/zinc/84/00/57/1094840057.db2.gz MMGZXZJBTZEQBG-CABCVRRESA-N 0 3 324.877 3.163 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2c(cc(F)cc2OC)s1 ZINC001121948838 1094840433 /nfs/dbraw/zinc/84/04/33/1094840433.db2.gz YJELOVBYFBRYGJ-SNVBAGLBSA-N 0 3 323.393 3.066 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC001121955262 1094842486 /nfs/dbraw/zinc/84/24/86/1094842486.db2.gz LDLQWOXXTYBRCR-CVEARBPZSA-N 0 3 308.372 3.312 20 30 DGEDHN CC[C@H]1CCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136080679 1094849824 /nfs/dbraw/zinc/84/98/24/1094849824.db2.gz JRZUAZVGVOBTSI-XJKSGUPXSA-N 0 3 319.474 3.042 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1nc(Cl)cc2nc[nH]c21 ZINC001218745914 1094861749 /nfs/dbraw/zinc/86/17/49/1094861749.db2.gz RBIVZKPUGRNUBK-JTQLQIEISA-N 0 3 321.812 3.014 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104092331 1094875260 /nfs/dbraw/zinc/87/52/60/1094875260.db2.gz RBWAODIVKYONNJ-GDBMZVCRSA-N 0 3 310.869 3.007 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(C)c2c[nH]nc21 ZINC001218831141 1094882964 /nfs/dbraw/zinc/88/29/64/1094882964.db2.gz NKSXMJRBMGEBHN-AWEZNQCLSA-N 0 3 300.406 3.274 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC001122087619 1094895755 /nfs/dbraw/zinc/89/57/55/1094895755.db2.gz OOFFUPVOLFJJHW-GFCCVEGCSA-N 0 3 317.458 3.331 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2c1OCCC2 ZINC001218974971 1094917420 /nfs/dbraw/zinc/91/74/20/1094917420.db2.gz OKZWDVZFHXDDSZ-HNNXBMFYSA-N 0 3 302.418 3.414 20 30 DGEDHN CCc1ccc2ccccc2c1CNC(=O)[C@H](N)CCCC#N ZINC001122187077 1094921554 /nfs/dbraw/zinc/92/15/54/1094921554.db2.gz DROBHKXSZTYFEA-GOSISDBHSA-N 0 3 309.413 3.040 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001111794999 1094969469 /nfs/dbraw/zinc/96/94/69/1094969469.db2.gz UOFHEUBWIDFTMU-AYBZRNKSSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001219390971 1094970119 /nfs/dbraw/zinc/97/01/19/1094970119.db2.gz IBPTZTGFXIMYGL-HNNXBMFYSA-N 0 3 314.385 3.195 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCCCC(C)C)C1 ZINC001111893804 1095004731 /nfs/dbraw/zinc/00/47/31/1095004731.db2.gz WKGYSMMIANVDII-HKUYNNGSSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001111892572 1095005123 /nfs/dbraw/zinc/00/51/23/1095005123.db2.gz WPBGXJPYXSRBIM-WFXMLNOXSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001111900392 1095008217 /nfs/dbraw/zinc/00/82/17/1095008217.db2.gz PHFFZESUOITSTI-QRFRQXIXSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](CCOC)c2ccccc21 ZINC001122601381 1095016667 /nfs/dbraw/zinc/01/66/67/1095016667.db2.gz CGVGMCUFTAIUKP-HIFRSBDPSA-N 0 3 322.836 3.013 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001086840905 1095025659 /nfs/dbraw/zinc/02/56/59/1095025659.db2.gz CFXMOOPCWKLBOD-GXTWGEPZSA-N 0 3 321.852 3.133 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112066745 1095029283 /nfs/dbraw/zinc/02/92/83/1095029283.db2.gz FDXYREBBHRVMFR-MGPQQGTHSA-N 0 3 320.399 3.224 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC001136427582 1095034921 /nfs/dbraw/zinc/03/49/21/1095034921.db2.gz QLBOFEIVKRPSDB-UHFFFAOYSA-N 0 3 324.399 3.011 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C2(CCC)CCC2)C[C@H]1C(F)(F)F ZINC001112149678 1095036593 /nfs/dbraw/zinc/03/65/93/1095036593.db2.gz NOZKIHYCQGMQAC-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1C(F)(F)F ZINC001112169758 1095037593 /nfs/dbraw/zinc/03/75/93/1095037593.db2.gz OOOYNRNTSAFAMP-ZIAGYGMSSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CCC)C(C)C)C[C@H]1C(F)(F)F ZINC001112173686 1095039083 /nfs/dbraw/zinc/03/90/83/1095039083.db2.gz KPLYMGIXMMWESJ-MGPQQGTHSA-N 0 3 320.399 3.224 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1C(F)(F)F ZINC001112188185 1095040095 /nfs/dbraw/zinc/04/00/95/1095040095.db2.gz XSFLJMRAYPWLCU-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)[C@](C)(CC)CCCCCC)[C@@H](O)C1 ZINC001221025542 1095188521 /nfs/dbraw/zinc/18/85/21/1095188521.db2.gz WDHXBNGILYBMKE-ZIFCJYIRSA-N 0 3 324.509 3.111 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(Br)oc1C ZINC001123234628 1095197022 /nfs/dbraw/zinc/19/70/22/1095197022.db2.gz YUKDIBPWDMKNFE-JTQLQIEISA-N 0 3 322.162 3.057 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001221162153 1095209429 /nfs/dbraw/zinc/20/94/29/1095209429.db2.gz NRSLXFPMBGGWRA-KGLIPLIRSA-N 0 3 302.409 3.392 20 30 DGEDHN C#CCCCCC(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221492854 1095286082 /nfs/dbraw/zinc/28/60/82/1095286082.db2.gz KVFJURPFBJABIR-DFQSSKMNSA-N 0 3 324.468 3.474 20 30 DGEDHN Cc1noc(C)c1[C@@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001123477633 1095313265 /nfs/dbraw/zinc/31/32/65/1095313265.db2.gz TZXYUTXOTVNFJU-UFBFGSQYSA-N 0 3 319.311 3.335 20 30 DGEDHN CC#CCCCC(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001221747827 1095342581 /nfs/dbraw/zinc/34/25/81/1095342581.db2.gz FBAOBDJTKHNNQU-WOJBJXKFSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC/C=C/c3ccccc3)[C@@H]2C1 ZINC001221813649 1095364586 /nfs/dbraw/zinc/36/45/86/1095364586.db2.gz SQBBZWZXLKFRQE-DGDLXGGDSA-N 0 3 322.452 3.036 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)CCC=C(C)C)[C@@H]2C1 ZINC001221827272 1095368212 /nfs/dbraw/zinc/36/82/12/1095368212.db2.gz CWWARAUMADLXMB-IPMKNSEASA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC3(C=C)CCCCC3)[C@@H]2C1 ZINC001221867619 1095377893 /nfs/dbraw/zinc/37/78/93/1095377893.db2.gz ZEGIQDRSVGDTBT-QZTJIDSGSA-N 0 3 314.473 3.069 20 30 DGEDHN CCCCCCCCCC(=O)N1C[C@H]2CCN(C[C@@H](C)O)C[C@H]21 ZINC001221976920 1095403058 /nfs/dbraw/zinc/40/30/58/1095403058.db2.gz RRMPYMZLOYUCDL-KZNAEPCWSA-N 0 3 324.509 3.041 20 30 DGEDHN CCCCCCCCCC(=O)N1C[C@H]2CCN(C[C@H](C)O)C[C@H]21 ZINC001221976921 1095403423 /nfs/dbraw/zinc/40/34/23/1095403423.db2.gz RRMPYMZLOYUCDL-RCCFBDPRSA-N 0 3 324.509 3.041 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)CCCC1 ZINC001222158092 1095465075 /nfs/dbraw/zinc/46/50/75/1095465075.db2.gz QHEMXRUMBNMDBE-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN N#CCOc1cccc(CNCc2ccccc2N2CCCC2)c1 ZINC001116475649 1095569617 /nfs/dbraw/zinc/56/96/17/1095569617.db2.gz AYQSOFMHQOHIHU-UHFFFAOYSA-N 0 3 321.424 3.479 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC001116575736 1095604922 /nfs/dbraw/zinc/60/49/22/1095604922.db2.gz HPSAFFASAPHUKU-QGZVFWFLSA-N 0 3 311.385 3.046 20 30 DGEDHN CC(C)(C)CCCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001124781959 1095629250 /nfs/dbraw/zinc/62/92/50/1095629250.db2.gz CRAUEKIAPSRRFR-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccccc2CCC)C1 ZINC001091135262 1095682982 /nfs/dbraw/zinc/68/29/82/1095682982.db2.gz NNWGBJMJQKEWCN-UHFFFAOYSA-N 0 3 320.864 3.490 20 30 DGEDHN C#Cc1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC001144573159 1095723156 /nfs/dbraw/zinc/72/31/56/1095723156.db2.gz CRZSJBTUCAMCJL-UHFFFAOYSA-N 0 3 309.384 3.291 20 30 DGEDHN CCCC[C@@H](CC)CN1CCC12CN(Cc1[nH]ccc1C#N)C2 ZINC001276837748 1095752087 /nfs/dbraw/zinc/75/20/87/1095752087.db2.gz FXBNEERAXDMMFE-MRXNPFEDSA-N 0 3 314.477 3.363 20 30 DGEDHN CN(c1ccc(C#N)cc1)c1ccc(CN2CCN(C)CC2)cc1 ZINC001137898033 1095784776 /nfs/dbraw/zinc/78/47/76/1095784776.db2.gz BVHQMMWIGADPFZ-UHFFFAOYSA-N 0 3 320.440 3.074 20 30 DGEDHN C#CCCCCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001222915038 1095788932 /nfs/dbraw/zinc/78/89/32/1095788932.db2.gz XQOIMYDCFDZCFK-UHFFFAOYSA-N 0 3 318.486 3.270 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC001339985923 1095802370 /nfs/dbraw/zinc/80/23/70/1095802370.db2.gz MAVVIZJEXONIAX-HUUCEWRRSA-N 0 3 320.408 3.228 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccccc2CC)C1 ZINC001091205359 1095806045 /nfs/dbraw/zinc/80/60/45/1095806045.db2.gz YCVDARGBBUHARO-UHFFFAOYSA-N 0 3 306.837 3.100 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC001340107643 1095865366 /nfs/dbraw/zinc/86/53/66/1095865366.db2.gz ZWWNGURVVJBYIQ-GOSISDBHSA-N 0 3 315.461 3.082 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001091328159 1095896070 /nfs/dbraw/zinc/89/60/70/1095896070.db2.gz VXPYGZAOJFDAPB-UHFFFAOYSA-N 0 3 323.868 3.064 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(CC)cc2)C1 ZINC001091350289 1095906307 /nfs/dbraw/zinc/90/63/07/1095906307.db2.gz DMEMNDZZDCCOKA-UHFFFAOYSA-N 0 3 306.837 3.100 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001091378790 1095923985 /nfs/dbraw/zinc/92/39/85/1095923985.db2.gz SRMFIVJYMLAUGN-AXJCJWBSSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CCCC[C@@H](C)CC)CC1 ZINC001223327392 1095936876 /nfs/dbraw/zinc/93/68/76/1095936876.db2.gz GSSGQRRZCHFSGL-KRWDZBQOSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001276893250 1095979865 /nfs/dbraw/zinc/97/98/65/1095979865.db2.gz XTTBMWXGBDTPGM-DOTOQJQBSA-N 0 3 315.461 3.166 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001340986973 1096086382 /nfs/dbraw/zinc/08/63/82/1096086382.db2.gz OBAWLNAIPHTCIE-PVAVHDDUSA-N 0 3 304.409 3.262 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)(C)C)C[C@@H]21 ZINC001223903593 1096092744 /nfs/dbraw/zinc/09/27/44/1096092744.db2.gz GFCRRMVFWRQSQC-ZACQAIPSSA-N 0 3 304.478 3.005 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC001341002676 1096092757 /nfs/dbraw/zinc/09/27/57/1096092757.db2.gz DDFDQKQZZUIKIQ-ROUUACIJSA-N 0 3 324.509 3.339 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC001341002675 1096092953 /nfs/dbraw/zinc/09/29/53/1096092953.db2.gz DDFDQKQZZUIKIQ-QZTJIDSGSA-N 0 3 324.509 3.339 20 30 DGEDHN C#CCN(CCc1nc(-c2ccc(Cl)cc2)no1)CC1CC1 ZINC001341067395 1096109807 /nfs/dbraw/zinc/10/98/07/1096109807.db2.gz KYWMFQSKDOGEKI-UHFFFAOYSA-N 0 3 315.804 3.278 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC001341167923 1096128242 /nfs/dbraw/zinc/12/82/42/1096128242.db2.gz VFVKJOCBDUZCBE-INIZCTEOSA-N 0 3 322.399 3.354 20 30 DGEDHN N#Cc1ccccc1N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001276953617 1096156873 /nfs/dbraw/zinc/15/68/73/1096156873.db2.gz NEOJMNIRAFZNNM-FQEVSTJZSA-N 0 3 320.440 3.379 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001224186446 1096156886 /nfs/dbraw/zinc/15/68/86/1096156886.db2.gz CIIMJSCPESKVPN-MRXNPFEDSA-N 0 3 315.461 3.012 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001224386492 1096200797 /nfs/dbraw/zinc/20/07/97/1096200797.db2.gz QJRORMUPXGAACE-IBGZPJMESA-N 0 3 315.461 3.012 20 30 DGEDHN CC[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)C(C)(C)C ZINC001147466766 1096225485 /nfs/dbraw/zinc/22/54/85/1096225485.db2.gz VTZWRDBGWZKLKN-KRWDZBQOSA-N 0 3 315.461 3.226 20 30 DGEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC001119606115 1096231770 /nfs/dbraw/zinc/23/17/70/1096231770.db2.gz JTEVOUMVYZYSLK-IRWQIABSSA-N 0 3 324.403 3.188 20 30 DGEDHN C[C@@H](CCC(C)(C)C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001147791624 1096273106 /nfs/dbraw/zinc/27/31/06/1096273106.db2.gz PLFSQXRVWWGQPT-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCN[C@H](C(C)C)C1)c1ccccc1 ZINC001148127424 1096318589 /nfs/dbraw/zinc/31/85/89/1096318589.db2.gz BVGRMIAPXQQRQN-MSOLQXFVSA-N 0 3 300.446 3.193 20 30 DGEDHN N#CCc1ccc(O[C@H]2COCCN(Cc3ccccc3)C2)cc1 ZINC001225266441 1096379027 /nfs/dbraw/zinc/37/90/27/1096379027.db2.gz KAQXXYQFVIJXFZ-HXUWFJFHSA-N 0 3 322.408 3.032 20 30 DGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(CC#N)cc2)C1 ZINC001225268634 1096379121 /nfs/dbraw/zinc/37/91/21/1096379121.db2.gz YUQFDYFMKDUJDB-MAUKXSAKSA-N 0 3 307.397 3.362 20 30 DGEDHN N#Cc1cccnc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001225407268 1096421905 /nfs/dbraw/zinc/42/19/05/1096421905.db2.gz KJRVYXMUMMHDPT-BWTSREIZSA-N 0 3 319.408 3.243 20 30 DGEDHN Cc1cc(=O)c(C#N)c(OC2CCN(Cc3ccccc3)CC2)[nH]1 ZINC001225467830 1096439623 /nfs/dbraw/zinc/43/96/23/1096439623.db2.gz YHUHVJYKTWAFEB-UHFFFAOYSA-N 0 3 323.396 3.011 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC2(C1)CCN(CC=C)C2)c1ccccc1 ZINC001148803694 1096450103 /nfs/dbraw/zinc/45/01/03/1096450103.db2.gz HJCNMVDWTUBFCX-GOSISDBHSA-N 0 3 310.441 3.067 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](CC)CCCCC)CC1 ZINC001225516083 1096455609 /nfs/dbraw/zinc/45/56/09/1096455609.db2.gz OOUWZLCQEWVSLI-SFHVURJKSA-N 0 3 306.494 3.444 20 30 DGEDHN CC(C)c1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001148840755 1096456492 /nfs/dbraw/zinc/45/64/92/1096456492.db2.gz BFLQLYIOCSTOSU-UHFFFAOYSA-N 0 3 321.424 3.201 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001273446057 1096482826 /nfs/dbraw/zinc/48/28/26/1096482826.db2.gz PLUPAPQWHGEWBG-ZWKOTPCHSA-N 0 3 304.478 3.363 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C3CCCCC3)C2)CC1 ZINC001086900900 1096498924 /nfs/dbraw/zinc/49/89/24/1096498924.db2.gz UYYKXASBLNZXRB-QGZVFWFLSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C(F)=C3CCCC3)C2)CC1 ZINC001086916934 1096508372 /nfs/dbraw/zinc/50/83/72/1096508372.db2.gz VXCMGHUFBADTDA-OAHLLOKOSA-N 0 3 318.436 3.120 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C3C=CC=CC=C3)C2)CC1 ZINC001086924456 1096510626 /nfs/dbraw/zinc/51/06/26/1096510626.db2.gz SWACWSHHGLARLW-SFHVURJKSA-N 0 3 324.468 3.011 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001086941212 1096515736 /nfs/dbraw/zinc/51/57/36/1096515736.db2.gz MPZGZXXJLLIXNM-SJORKVTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)c3ccccc3)C2)CC1 ZINC001086953952 1096521610 /nfs/dbraw/zinc/52/16/10/1096521610.db2.gz XYOQPFWDMDYVQX-MSOLQXFVSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)c3ccccc3)C2)CC1 ZINC001086953953 1096522391 /nfs/dbraw/zinc/52/23/91/1096522391.db2.gz XYOQPFWDMDYVQX-ROUUACIJSA-N 0 3 324.468 3.126 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)C3CC3)C2)CC1 ZINC001086958350 1096524319 /nfs/dbraw/zinc/52/43/19/1096524319.db2.gz NPVKCGPQLLREAC-SJORKVTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(CCCC)cc3)C[C@]2(C)C1 ZINC001091834001 1096540529 /nfs/dbraw/zinc/54/05/29/1096540529.db2.gz GUUNMBOPGNSABM-CTNGQTDRSA-N 0 3 324.468 3.056 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)CC3CCCCCC3)C[C@]2(C)C1 ZINC001092051987 1096570373 /nfs/dbraw/zinc/57/03/73/1096570373.db2.gz YLTJREOWJNAUAJ-QUCCMNQESA-N 0 3 316.489 3.151 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C)c1ccccc1 ZINC001110137036 1096634469 /nfs/dbraw/zinc/63/44/69/1096634469.db2.gz YGLSDKSJFQQVHP-XWSJACJDSA-N 0 3 310.441 3.254 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)CC1 ZINC001092934477 1096643918 /nfs/dbraw/zinc/64/39/18/1096643918.db2.gz BQJFEBWAVZCUBO-DUBFGTGDSA-N 0 3 310.869 3.169 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC001273457642 1096648643 /nfs/dbraw/zinc/64/86/43/1096648643.db2.gz QHDVRFKSOKMZRK-MJGOQNOKSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(C)C ZINC001226460850 1096695791 /nfs/dbraw/zinc/69/57/91/1096695791.db2.gz UXKTUXNAWIDHJQ-ZIAGYGMSSA-N 0 3 300.874 3.438 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001226474643 1096699085 /nfs/dbraw/zinc/69/90/85/1096699085.db2.gz RUPOBUMNXWHUHJ-HZPDHXFCSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(Cl)s2)CC1 ZINC001277133067 1096706039 /nfs/dbraw/zinc/70/60/39/1096706039.db2.gz QIPPMTNSJGJRQH-UHFFFAOYSA-N 0 3 312.866 3.352 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001226519110 1096711213 /nfs/dbraw/zinc/71/12/13/1096711213.db2.gz RGORANPCLHJZNE-UHFFFAOYSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCCCC(C)(C)C)C1 ZINC001149763271 1096712298 /nfs/dbraw/zinc/71/22/98/1096712298.db2.gz IVKQKPSUIDSOEP-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccccc3C(C)C)CCC[C@@H]12 ZINC001094430541 1096823407 /nfs/dbraw/zinc/82/34/07/1096823407.db2.gz CPNFMVYGKNZTKW-TZIWHRDSSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3occc3C(C)C)CCC[C@@H]12 ZINC001094496790 1096835590 /nfs/dbraw/zinc/83/55/90/1096835590.db2.gz IFWYCQNCURLFQU-VQIMIIECSA-N 0 3 314.429 3.011 20 30 DGEDHN CCCc1ccc(CN2CCC(NC(=O)C#CC3CC3)CC2)cc1 ZINC001227290057 1096912730 /nfs/dbraw/zinc/91/27/30/1096912730.db2.gz QGYZLGWHPUWJHQ-UHFFFAOYSA-N 0 3 324.468 3.133 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)C[C@H]1C(C)(C)C ZINC001171580066 1096929555 /nfs/dbraw/zinc/92/95/55/1096929555.db2.gz SONWPKSCPBLRQI-KBPBESRZSA-N 0 3 309.454 3.304 20 30 DGEDHN CCC[C@H](CC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001277208772 1096930961 /nfs/dbraw/zinc/93/09/61/1096930961.db2.gz HSIYKTMOMOQRIS-KRWDZBQOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001277230669 1096967535 /nfs/dbraw/zinc/96/75/35/1096967535.db2.gz ARZXXLNXIZFFHS-APWZRJJASA-N 0 3 317.477 3.374 20 30 DGEDHN CCCCCCCCCCN1CC[C@@H](C(N)=O)n2nccc2C1 ZINC001277233480 1096973364 /nfs/dbraw/zinc/97/33/64/1096973364.db2.gz PRMDQKRFZAKCPO-KRWDZBQOSA-N 0 3 320.481 3.256 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC001171841374 1096989176 /nfs/dbraw/zinc/98/91/76/1096989176.db2.gz OCUFFBUGJIHBPT-KRWDZBQOSA-N 0 3 312.457 3.470 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228111401 1097052206 /nfs/dbraw/zinc/05/22/06/1097052206.db2.gz AUJDYGBFUUMYGR-KBAYOESNSA-N 0 3 315.461 3.201 20 30 DGEDHN COc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001228115031 1097054827 /nfs/dbraw/zinc/05/48/27/1097054827.db2.gz ZNLCZZAPIGYZPK-GOSISDBHSA-N 0 3 308.381 3.220 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C\Cl)C1 ZINC001277285809 1097081243 /nfs/dbraw/zinc/08/12/43/1097081243.db2.gz QNSCHRVTJQRFKX-QNLCYANDSA-N 0 3 322.880 3.245 20 30 DGEDHN Cc1ccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)nc1 ZINC001172319942 1097100137 /nfs/dbraw/zinc/10/01/37/1097100137.db2.gz SFVPWXUYWOILRK-KRWDZBQOSA-N 0 3 320.440 3.015 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1nccn1CC(F)(F)F ZINC001172299880 1097109727 /nfs/dbraw/zinc/10/97/27/1097109727.db2.gz OZMOJQPCOIYMBW-LBPRGKRZSA-N 0 3 322.334 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228412682 1097116058 /nfs/dbraw/zinc/11/60/58/1097116058.db2.gz BELMZVJKZQJEPS-BFYDXBDKSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001277297986 1097116712 /nfs/dbraw/zinc/11/67/12/1097116712.db2.gz AVXBMPVCFOSGLZ-QWHCGFSZSA-N 0 3 314.882 3.479 20 30 DGEDHN CCCCCCC[C@@H](CC)N1CCN(c2ncncn2)CC1 ZINC001172362313 1097125918 /nfs/dbraw/zinc/12/59/18/1097125918.db2.gz VGNQPKMZAUAAHN-MRXNPFEDSA-N 0 3 305.470 3.133 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C)cc1F ZINC001277305873 1097131875 /nfs/dbraw/zinc/13/18/75/1097131875.db2.gz OETWRMXMAGEVFY-CYBMUJFWSA-N 0 3 312.816 3.375 20 30 DGEDHN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001228673863 1097164130 /nfs/dbraw/zinc/16/41/30/1097164130.db2.gz FXMTZVYHGIKTDK-UAFMIMERSA-N 0 3 324.468 3.101 20 30 DGEDHN C[C@H](CCCC#N)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496518 1097169965 /nfs/dbraw/zinc/16/99/65/1097169965.db2.gz NKQXMLUTVFBAGG-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN CO[C@H](CN1CCN([C@@H](C)CCCC#N)CC1)c1ccccc1 ZINC001172498309 1097170848 /nfs/dbraw/zinc/17/08/48/1097170848.db2.gz LHWATKIKWQNCIH-PKOBYXMFSA-N 0 3 315.461 3.074 20 30 DGEDHN CO[C@H](CN1CCN([C@H](C)CCCC#N)CC1)c1ccccc1 ZINC001172498305 1097170862 /nfs/dbraw/zinc/17/08/62/1097170862.db2.gz LHWATKIKWQNCIH-IEBWSBKVSA-N 0 3 315.461 3.074 20 30 DGEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001172545133 1097187569 /nfs/dbraw/zinc/18/75/69/1097187569.db2.gz GOLFVZVCWTVOSY-SVGFKBNWSA-N 0 3 304.434 3.223 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228809523 1097195872 /nfs/dbraw/zinc/19/58/72/1097195872.db2.gz JGRHVBPJDYHGEO-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)c1ccc(O[C@@H]2C[C@@H]3[C@H](OC(C)=O)C[C@H](C2)N3C)cc1 ZINC001229079074 1097251359 /nfs/dbraw/zinc/25/13/59/1097251359.db2.gz PLIRRRWOFCFALD-GDAAHCPNSA-N 0 3 315.413 3.265 20 30 DGEDHN C[C@@H](C#C[Si](C)(C)C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303889 1097292395 /nfs/dbraw/zinc/29/23/95/1097292395.db2.gz WPFYESFELFMYEK-HNNXBMFYSA-N 0 3 317.505 3.469 20 30 DGEDHN C#CC[C@@H](C)Oc1cccc(C2(C(=O)CC)CCN(C)CC2)c1 ZINC001229735710 1097374192 /nfs/dbraw/zinc/37/41/92/1097374192.db2.gz KXVCVOOSHHPKAW-MRXNPFEDSA-N 0 3 313.441 3.420 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001277432170 1097413494 /nfs/dbraw/zinc/41/34/94/1097413494.db2.gz VTNCGCKUFRSWLS-KDURUIRLSA-N 0 3 316.489 3.291 20 30 DGEDHN N#CCC1CCC(N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001173339490 1097421750 /nfs/dbraw/zinc/42/17/50/1097421750.db2.gz QBDYAPDWXKPINI-UHFFFAOYSA-N 0 3 302.340 3.302 20 30 DGEDHN C=CCOC1CCC(NC2(c3ccc(C)cc3)COC2)CC1 ZINC001173315374 1097427631 /nfs/dbraw/zinc/42/76/31/1097427631.db2.gz LYYPEMINPILATE-UHFFFAOYSA-N 0 3 301.430 3.324 20 30 DGEDHN CC1(C#N)CCC(N2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001173592439 1097466134 /nfs/dbraw/zinc/46/61/34/1097466134.db2.gz OJZNLUIHQNKABH-UHFFFAOYSA-N 0 3 315.436 3.416 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001230399037 1097488070 /nfs/dbraw/zinc/48/80/70/1097488070.db2.gz HRVPXSGYZTZCCX-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN COC(=O)c1cc(C#N)cc(Nc2ccccc2CN(C)C)c1 ZINC001173930955 1097556637 /nfs/dbraw/zinc/55/66/37/1097556637.db2.gz SMDHANDXIDAHPQ-UHFFFAOYSA-N 0 3 309.369 3.150 20 30 DGEDHN C=C(C)CN(CCCNC(=O)CC1CCC1)Cc1cccnc1 ZINC001230722106 1097566179 /nfs/dbraw/zinc/56/61/79/1097566179.db2.gz AZKOAHILMFLMFN-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759757 1097576190 /nfs/dbraw/zinc/57/61/90/1097576190.db2.gz WLPAYFMIBJWWLR-OLZOCXBDSA-N 0 3 310.825 3.434 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCCO1 ZINC001230824320 1097599578 /nfs/dbraw/zinc/59/95/78/1097599578.db2.gz XEFKTPVVZSWVJZ-QZTJIDSGSA-N 0 3 324.509 3.449 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)COC1CCCC1 ZINC001230900940 1097618453 /nfs/dbraw/zinc/61/84/53/1097618453.db2.gz XNTMLKFGPDPIMQ-QGZVFWFLSA-N 0 3 324.509 3.449 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001231060180 1097657932 /nfs/dbraw/zinc/65/79/32/1097657932.db2.gz DTGGDKOOYPIUAN-INIZCTEOSA-N 0 3 321.440 3.337 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231255257 1097704390 /nfs/dbraw/zinc/70/43/90/1097704390.db2.gz LAPVRRAAZRGMTE-HOTGVXAUSA-N 0 3 314.539 3.489 20 30 DGEDHN Cc1cnccc1Nc1cc(C#N)c(F)cc1Br ZINC001174539728 1097749180 /nfs/dbraw/zinc/74/91/80/1097749180.db2.gz NXGXPDLMFGKRGZ-UHFFFAOYSA-N 0 3 306.138 3.329 20 30 DGEDHN C#CC1CCN(Cc2ccc(OC(=O)C(C)C)c(OC)c2)CC1 ZINC001231530770 1097775345 /nfs/dbraw/zinc/77/53/45/1097775345.db2.gz VOXBHLHNJGMBAK-UHFFFAOYSA-N 0 3 315.413 3.102 20 30 DGEDHN O[C@H]1CCN(Cc2ccccc2C#Cc2ccccc2)CC[C@H]1F ZINC001231577150 1097782893 /nfs/dbraw/zinc/78/28/93/1097782893.db2.gz POZZFTWSYHSOMX-RTWAWAEBSA-N 0 3 323.411 3.381 20 30 DGEDHN C#Cc1cccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001231656793 1097803913 /nfs/dbraw/zinc/80/39/13/1097803913.db2.gz RNHMGOQCQIAUFY-UHFFFAOYSA-N 0 3 314.429 3.157 20 30 DGEDHN C#Cc1cccc(CN(CC)CCN(C)C(=O)OC(C)(C)C)c1 ZINC001231661665 1097809219 /nfs/dbraw/zinc/80/92/19/1097809219.db2.gz XOJRGQBZUNRMOB-UHFFFAOYSA-N 0 3 316.445 3.357 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001174834325 1097852989 /nfs/dbraw/zinc/85/29/89/1097852989.db2.gz YXYJGFLMWSOGFU-HOCLYGCPSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)nc(C)c1)C2 ZINC001231999795 1097911195 /nfs/dbraw/zinc/91/11/95/1097911195.db2.gz VPSOTWMQWJFWBY-RTBURBONSA-N 0 3 316.445 3.025 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCCNCc2cnc(C)o2)C1 ZINC001175158909 1097950249 /nfs/dbraw/zinc/95/02/49/1097950249.db2.gz KWVZCFKODVBGNP-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN COc1ccc(C[C@@H]2CCCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001232480257 1098052005 /nfs/dbraw/zinc/05/20/05/1098052005.db2.gz QVOFOBUOJICBFQ-SFHVURJKSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001175469233 1098055367 /nfs/dbraw/zinc/05/53/67/1098055367.db2.gz OQLPBCJQEOLZPG-AWEZNQCLSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c(C)cccc1F)C2 ZINC001232487232 1098056402 /nfs/dbraw/zinc/05/64/02/1098056402.db2.gz NTFBSASRPSQFTI-APWZRJJASA-N 0 3 319.420 3.460 20 30 DGEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccccc3F)C2(C)C)C1=O ZINC001175452089 1098066885 /nfs/dbraw/zinc/06/68/85/1098066885.db2.gz AMWXKAUJFHBCKB-DOTOQJQBSA-N 0 3 316.420 3.181 20 30 DGEDHN N#Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)s1 ZINC001232844716 1098151739 /nfs/dbraw/zinc/15/17/39/1098151739.db2.gz ALIUQFXKTLMMQI-GJZGRUSLSA-N 0 3 309.438 3.188 20 30 DGEDHN CCN1CCN(c2ccc(Nc3c(O)cccc3C#N)cc2)CC1 ZINC001175781377 1098168604 /nfs/dbraw/zinc/16/86/04/1098168604.db2.gz GPYUIJUUAQTHKF-UHFFFAOYSA-N 0 3 322.412 3.149 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cnc(C)cc1C)C2 ZINC001233007727 1098201589 /nfs/dbraw/zinc/20/15/89/1098201589.db2.gz ZZRFEXNNRAGDQF-OALUTQOASA-N 0 3 316.445 3.025 20 30 DGEDHN Cc1cccc(N2CCCN(Cc3ccc(C#N)cc3C)CC2)n1 ZINC001233082373 1098222586 /nfs/dbraw/zinc/22/25/86/1098222586.db2.gz KILRCNCHMYBLQG-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN Cc1ccnc(O[C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC001233083209 1098222782 /nfs/dbraw/zinc/22/27/82/1098222782.db2.gz ALJXLZDOCBJNMV-SFHVURJKSA-N 0 3 322.412 3.009 20 30 DGEDHN CN(C)c1ccc(CN2CC[C@H](c3ccncc3)C2)c(F)c1C#N ZINC001233101289 1098226967 /nfs/dbraw/zinc/22/69/67/1098226967.db2.gz VMBNXHLXYJLLQY-HNNXBMFYSA-N 0 3 324.403 3.148 20 30 DGEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)Nc1cccc2nccn21 ZINC001277789561 1098370706 /nfs/dbraw/zinc/37/07/06/1098370706.db2.gz XDZJTHVGFHIOCP-BEFAXECRSA-N 0 3 324.428 3.094 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCOC1 ZINC001233581908 1098382190 /nfs/dbraw/zinc/38/21/90/1098382190.db2.gz UUAHVROBGXDGLE-ROUUACIJSA-N 0 3 324.509 3.306 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001176567035 1098388798 /nfs/dbraw/zinc/38/87/98/1098388798.db2.gz WUKMRFUPMKPKBJ-GFCCVEGCSA-N 0 3 315.244 3.292 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)C(=O)NCCCNCC(=C)Cl ZINC001176743645 1098417801 /nfs/dbraw/zinc/41/78/01/1098417801.db2.gz BVZBKDUZTVNUAS-KRWDZBQOSA-N 0 3 320.864 3.270 20 30 DGEDHN C=CCC1(C(=O)NCCCNCc2ocnc2C)CCCCC1 ZINC001176781406 1098429452 /nfs/dbraw/zinc/42/94/52/1098429452.db2.gz CIRCAAMDALSNCJ-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001233799794 1098433620 /nfs/dbraw/zinc/43/36/20/1098433620.db2.gz ASDKYDDFVCXMDH-INIZCTEOSA-N 0 3 318.486 3.017 20 30 DGEDHN C=CCCCN(CC)CCCS(=O)(=O)c1cccc(C)c1 ZINC001176798541 1098443521 /nfs/dbraw/zinc/44/35/21/1098443521.db2.gz SFHFYPZBWAZYJG-UHFFFAOYSA-N 0 3 309.475 3.447 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccnn1CC ZINC001233857335 1098443968 /nfs/dbraw/zinc/44/39/68/1098443968.db2.gz QOTPHUYRYFSYKB-INIZCTEOSA-N 0 3 320.481 3.020 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2n1CC ZINC001176862012 1098445044 /nfs/dbraw/zinc/44/50/44/1098445044.db2.gz LEVYYGPJGFSPLW-UHFFFAOYSA-N 0 3 319.836 3.123 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233916220 1098456120 /nfs/dbraw/zinc/45/61/20/1098456120.db2.gz UWMRHDQDCDGKHD-STQMWFEESA-N 0 3 310.825 3.434 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1nccn1CC ZINC001233927033 1098459513 /nfs/dbraw/zinc/45/95/13/1098459513.db2.gz VCUPFFCETOLNNZ-INIZCTEOSA-N 0 3 320.481 3.020 20 30 DGEDHN N#Cc1cccc(-c2ccc(OC3CCN(C4CC4)CC3)nn2)c1 ZINC001233943328 1098463954 /nfs/dbraw/zinc/46/39/54/1098463954.db2.gz LYMZQFIXKCGUMY-UHFFFAOYSA-N 0 3 320.396 3.021 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)CCCc1ccccc1 ZINC001177136295 1098482324 /nfs/dbraw/zinc/48/23/24/1098482324.db2.gz LIKUGCRIIGESSV-OAHLLOKOSA-N 0 3 322.880 3.494 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(F)F ZINC001234087792 1098493028 /nfs/dbraw/zinc/49/30/28/1098493028.db2.gz LKEVEFGFJMCOEU-KBPBESRZSA-N 0 3 302.409 3.145 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234161361 1098507109 /nfs/dbraw/zinc/50/71/09/1098507109.db2.gz KMPAHJUIGNGLQR-QZTJIDSGSA-N 0 3 312.457 3.248 20 30 DGEDHN CN(C[C@@H]1CCN1CC/C=C/c1ccccc1)C(=O)C#CC1CC1 ZINC001234177374 1098510309 /nfs/dbraw/zinc/51/03/09/1098510309.db2.gz AZXIZDDCKJKDJE-MRSBXDGLSA-N 0 3 322.452 3.036 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@H](F)CC ZINC001177381314 1098522028 /nfs/dbraw/zinc/52/20/28/1098522028.db2.gz SUCZQHKGGKRWQM-OAHLLOKOSA-N 0 3 318.864 3.486 20 30 DGEDHN CO/N=C(\C(=O)NCCP(C(C)C)C(C)C)c1ccco1 ZINC001177355282 1098524572 /nfs/dbraw/zinc/52/45/72/1098524572.db2.gz IAMICESKDLUIET-VKAVYKQESA-N 0 3 312.350 3.045 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)OC1CCCCC1 ZINC001234297220 1098530714 /nfs/dbraw/zinc/53/07/14/1098530714.db2.gz RSNLNFDMYNQCIV-AEFFLSMTSA-N 0 3 322.493 3.223 20 30 DGEDHN N#Cc1ccc2oc(O[C@H]3CCN(Cc4ccccc4)C3)nc2c1 ZINC001234457448 1098560266 /nfs/dbraw/zinc/56/02/66/1098560266.db2.gz VUTJSEDBSQZJGO-INIZCTEOSA-N 0 3 319.364 3.353 20 30 DGEDHN CC#CC[C@@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661043 1098636513 /nfs/dbraw/zinc/63/65/13/1098636513.db2.gz PMOWMQHCZPLQKP-GOSISDBHSA-N 0 3 300.446 3.399 20 30 DGEDHN CC(=O)c1ccsc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904431 1098643609 /nfs/dbraw/zinc/64/36/09/1098643609.db2.gz PJSABDYCUAETTI-SNVBAGLBSA-N 0 3 304.396 3.333 20 30 DGEDHN C#CCCCC(=O)NCCCCCCNC/C(Cl)=C\Cl ZINC001178328012 1098796427 /nfs/dbraw/zinc/79/64/27/1098796427.db2.gz VXRJCSKAAYVMHW-WYMLVPIESA-N 0 3 319.276 3.375 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001277922690 1098799567 /nfs/dbraw/zinc/79/95/67/1098799567.db2.gz PTVLIEXSWOAMHM-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN C=C(C)CCC(=O)NCCCCCCNCc1cc(C)no1 ZINC001178596416 1098865254 /nfs/dbraw/zinc/86/52/54/1098865254.db2.gz NMXWLDAMNFSWPC-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN C=C(C)CCC(=O)NCCCCCCNCc1ocnc1C ZINC001178598896 1098884118 /nfs/dbraw/zinc/88/41/18/1098884118.db2.gz NVYAPXHAOHJRFO-UHFFFAOYSA-N 0 3 307.438 3.106 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235223292 1098896456 /nfs/dbraw/zinc/89/64/56/1098896456.db2.gz BBEOMAOHRDBBEE-ZIAGYGMSSA-N 0 3 302.409 3.167 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(OCC#C)cc2)cc1 ZINC001178755053 1098925805 /nfs/dbraw/zinc/92/58/05/1098925805.db2.gz XTJXTMWAMXOEFE-UHFFFAOYSA-N 0 3 305.377 3.000 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C/C=C\c1cccc(F)c1 ZINC001235471633 1099056231 /nfs/dbraw/zinc/05/62/31/1099056231.db2.gz OGFGTPKKMCFAIO-XOWYPZSQSA-N 0 3 316.420 3.338 20 30 DGEDHN CCCC[C@H](CC)CN1CCO[C@H]2CN(CCCCC#N)C[C@H]21 ZINC001277949311 1099067313 /nfs/dbraw/zinc/06/73/13/1099067313.db2.gz VRHJSXVTWDRTKY-OTWHNJEPSA-N 0 3 321.509 3.282 20 30 DGEDHN Cc1ccnc(OC2CCN(Cc3ccccc3CC#N)CC2)c1 ZINC001235526641 1099073843 /nfs/dbraw/zinc/07/38/43/1099073843.db2.gz FJXSZYXOVIAPDG-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN Cc1cccnc1O[C@H]1CCCN(Cc2ccccc2CC#N)C1 ZINC001235527566 1099076250 /nfs/dbraw/zinc/07/62/50/1099076250.db2.gz JQEZSJMABQDJKP-IBGZPJMESA-N 0 3 321.424 3.500 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN1CCN[C@H](c2ccccc2)C1 ZINC001235854111 1099213670 /nfs/dbraw/zinc/21/36/70/1099213670.db2.gz FSSSPVWCEHNMJN-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN C[C@@H](C#N)C(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001179895900 1099226226 /nfs/dbraw/zinc/22/62/26/1099226226.db2.gz VKBFXPAQPPWXPW-WMLDXEAASA-N 0 3 319.408 3.362 20 30 DGEDHN CN(CC(=O)N1CCC(C#Cc2ccccc2)CC1)C1CCCC1 ZINC001180629357 1099477676 /nfs/dbraw/zinc/47/76/76/1099477676.db2.gz VEBCJGHILFESDD-UHFFFAOYSA-N 0 3 324.468 3.151 20 30 DGEDHN N#CCc1cncc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236246069 1099499134 /nfs/dbraw/zinc/49/91/34/1099499134.db2.gz YOIHYCZQBNIDLE-UHFFFAOYSA-N 0 3 310.376 3.335 20 30 DGEDHN CCCCCCC/C=C/CN1CCC[C@@H]([C@@H](N)C(=O)OC)C1 ZINC001236273905 1099514676 /nfs/dbraw/zinc/51/46/76/1099514676.db2.gz KVWXRFPZKKEKEA-VEUZHWNKSA-N 0 3 310.482 3.115 20 30 DGEDHN CCCCCCCCS(=O)(=O)Nc1ccnc(N(C)C)c1 ZINC001187994369 1099653091 /nfs/dbraw/zinc/65/30/91/1099653091.db2.gz JPXUUZPOHOUUFF-UHFFFAOYSA-N 0 3 313.467 3.250 20 30 DGEDHN CCCCCCCCS(=O)(=O)N(CC)CCN1CCCC1 ZINC001188010250 1099657544 /nfs/dbraw/zinc/65/75/44/1099657544.db2.gz JRNFLGHBVDJYSI-UHFFFAOYSA-N 0 3 318.527 3.094 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCC[C@H]1CNCCF)c1ccccc1 ZINC001278015307 1099807915 /nfs/dbraw/zinc/80/79/15/1099807915.db2.gz BMTQBLCSUDLXMG-ROUUACIJSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C[C@H](C(=O)N(C)C[C@H](C)NC/C=C/Cl)c1ccccc1 ZINC001278024452 1099861195 /nfs/dbraw/zinc/86/11/95/1099861195.db2.gz DVQTWBJETLHOJF-DOLYSSGKSA-N 0 3 306.837 3.145 20 30 DGEDHN SC1CCN(Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001236915163 1099877301 /nfs/dbraw/zinc/87/73/01/1099877301.db2.gz ZLUOVBSBJRFBRJ-UHFFFAOYSA-N 0 3 307.850 3.420 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001189271274 1100013421 /nfs/dbraw/zinc/01/34/21/1100013421.db2.gz ZHDXHEDPLZQMFN-RHSMWYFYSA-N 0 3 304.409 3.386 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189706458 1100116748 /nfs/dbraw/zinc/11/67/48/1100116748.db2.gz NIIPSTCTWKQMIX-SFHVURJKSA-N 0 3 316.420 3.052 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](CC)c3ccccc3)[C@@H]2C1 ZINC001189771370 1100129895 /nfs/dbraw/zinc/12/98/95/1100129895.db2.gz MUJHCNBQAAQJNZ-YTQUADARSA-N 0 3 312.457 3.289 20 30 DGEDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c2cc(C#N)ccc21 ZINC001237473727 1100135171 /nfs/dbraw/zinc/13/51/71/1100135171.db2.gz SHWIXFRPLANCHB-UHFFFAOYSA-N 0 3 305.381 3.388 20 30 DGEDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c2cc(C#N)ccc21 ZINC001237473727 1100135175 /nfs/dbraw/zinc/13/51/75/1100135175.db2.gz SHWIXFRPLANCHB-UHFFFAOYSA-N 0 3 305.381 3.388 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001190047659 1100192315 /nfs/dbraw/zinc/19/23/15/1100192315.db2.gz VHJKMXBMDOSBKU-KRWDZBQOSA-N 0 3 324.424 3.125 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001190046506 1100192652 /nfs/dbraw/zinc/19/26/52/1100192652.db2.gz JFMCTFOUWPXMEM-KRWDZBQOSA-N 0 3 318.848 3.032 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(OC)c2)C1 ZINC001190429157 1100271905 /nfs/dbraw/zinc/27/19/05/1100271905.db2.gz VOYQGITXEBIJBL-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001190559585 1100294315 /nfs/dbraw/zinc/29/43/15/1100294315.db2.gz ZATZIUSGNKPMPX-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN C#CCN(C(=O)c1cocc1C)C1CCN(CC=C(C)C)CC1 ZINC001278177308 1100329049 /nfs/dbraw/zinc/32/90/49/1100329049.db2.gz NQDKBIVEGPGMKF-UHFFFAOYSA-N 0 3 314.429 3.094 20 30 DGEDHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(Cl)c(C#N)c1)C2 ZINC001238191029 1100385882 /nfs/dbraw/zinc/38/58/82/1100385882.db2.gz OAYWOZZOOLUBJA-WBVHZDCISA-N 0 3 304.821 3.460 20 30 DGEDHN CC(C)(C)CC(C)(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001151938600 1100416444 /nfs/dbraw/zinc/41/64/44/1100416444.db2.gz OFOFMIMVKJAHNM-UHFFFAOYSA-N 0 3 321.490 3.288 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ncc(C)cc1C)C2 ZINC001238428953 1100440855 /nfs/dbraw/zinc/44/08/55/1100440855.db2.gz KTXNKUJWQIRXPX-IEBWSBKVSA-N 0 3 316.445 3.025 20 30 DGEDHN CCc1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238778953 1100527672 /nfs/dbraw/zinc/52/76/72/1100527672.db2.gz RBOIGKPHTAXESR-QGZVFWFLSA-N 0 3 314.429 3.284 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001191868330 1100537309 /nfs/dbraw/zinc/53/73/09/1100537309.db2.gz RTPQGVJUNDZUOO-CRAIPNDOSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001192058790 1100570150 /nfs/dbraw/zinc/57/01/50/1100570150.db2.gz BBGLNCSOLRMKIF-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN Cc1ncc(C(=O)NCCP(C(C)C)C(C)C)cc1C#N ZINC001192301248 1100594979 /nfs/dbraw/zinc/59/49/79/1100594979.db2.gz JSDMANKAPSGATO-UHFFFAOYSA-N 0 3 305.362 3.290 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192502244 1100627523 /nfs/dbraw/zinc/62/75/23/1100627523.db2.gz SXNVXESCKYAABR-SJORKVTESA-N 0 3 324.509 3.184 20 30 DGEDHN CCCCCCCNC(=S)Nc1ccc2c(c1)CNCCO2 ZINC001239344170 1100638698 /nfs/dbraw/zinc/63/86/98/1100638698.db2.gz POOPGULDDJRBMU-UHFFFAOYSA-N 0 3 321.490 3.425 20 30 DGEDHN CCCCCCCCCCNC(=S)N[C@H]1CCNC[C@H]1F ZINC001239360001 1100643392 /nfs/dbraw/zinc/64/33/92/1100643392.db2.gz VWCVMCBVSBVGNA-CABCVRRESA-N 0 3 317.518 3.291 20 30 DGEDHN Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001239479340 1100675553 /nfs/dbraw/zinc/67/55/53/1100675553.db2.gz ZHNMVKXZGLYUMB-CQSZACIVSA-N 0 3 309.369 3.401 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001193713213 1100799178 /nfs/dbraw/zinc/79/91/78/1100799178.db2.gz KAJDDFAWWMQUAB-LBPRGKRZSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cccnc1C(F)(F)F ZINC001193919554 1100843335 /nfs/dbraw/zinc/84/33/35/1100843335.db2.gz BAUJLMBRIJWHKF-UHFFFAOYSA-N 0 3 301.356 3.040 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174273 1100882440 /nfs/dbraw/zinc/88/24/40/1100882440.db2.gz PXWUJPOPFAAXGJ-QGZVFWFLSA-N 0 3 324.509 3.328 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@]3(CCN(CC=C)C3=O)CC2)cc1 ZINC001273671770 1100883414 /nfs/dbraw/zinc/88/34/14/1100883414.db2.gz QOAKPHWNESMFID-OAQYLSRUSA-N 0 3 322.452 3.059 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2cscn2)CC1 ZINC001195232998 1101094446 /nfs/dbraw/zinc/09/44/46/1101094446.db2.gz PPTZYQROXWFBFY-UHFFFAOYSA-N 0 3 309.479 3.261 20 30 DGEDHN C=CCCC(=O)N1CCCN(CC[C@H]2CCCC2(F)F)CC1 ZINC001195225996 1101102019 /nfs/dbraw/zinc/10/20/19/1101102019.db2.gz KLDZPPGXTKTBES-OAHLLOKOSA-N 0 3 314.420 3.312 20 30 DGEDHN N#CC1CCC(CN2CCNC(=O)[C@H]2CC2CCCCC2)CC1 ZINC001195252041 1101106509 /nfs/dbraw/zinc/10/65/09/1101106509.db2.gz ZXVVQHAJRDZHHG-DAWZGUTISA-N 0 3 317.477 3.087 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccc(F)cn2)CC1 ZINC001195549174 1101155496 /nfs/dbraw/zinc/15/54/96/1101155496.db2.gz CXHZUQPGZQGDBB-UHFFFAOYSA-N 0 3 319.424 3.115 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2coc(CC)n2)CC1 ZINC001195549660 1101156268 /nfs/dbraw/zinc/15/62/68/1101156268.db2.gz NHCIAMYQTLMBSQ-UHFFFAOYSA-N 0 3 321.465 3.355 20 30 DGEDHN CCOC(=O)CCN(CC#Cc1ccc(Cl)cc1)C(C)C ZINC001195621744 1101164151 /nfs/dbraw/zinc/16/41/51/1101164151.db2.gz CMQQWMJWXHYMGU-UHFFFAOYSA-N 0 3 307.821 3.355 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2coc(C)n2)CC1 ZINC001195605449 1101169250 /nfs/dbraw/zinc/16/92/50/1101169250.db2.gz QEZDJCRZFPLKMN-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN O=C(C#CC1CC1)N1CCCN(CC/C=C\c2ccccc2)CC1 ZINC001195753894 1101189438 /nfs/dbraw/zinc/18/94/38/1101189438.db2.gz DSBOZIOSEFMQNF-WTKPLQERSA-N 0 3 322.452 3.038 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195774809 1101198240 /nfs/dbraw/zinc/19/82/40/1101198240.db2.gz CDLVLHHNGQXLIX-GOSISDBHSA-N 0 3 312.457 3.250 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780506 1101200137 /nfs/dbraw/zinc/20/01/37/1101200137.db2.gz DFJZAVGCWNVQQH-KRWDZBQOSA-N 0 3 312.457 3.331 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001195958441 1101233210 /nfs/dbraw/zinc/23/32/10/1101233210.db2.gz UXCZYGHXMXETHP-UHFFFAOYSA-N 0 3 318.864 3.439 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC/C=C/CC)CC2)CCC1 ZINC001196138535 1101254834 /nfs/dbraw/zinc/25/48/34/1101254834.db2.gz OXNGPYUNVFMWBX-AATRIKPKSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cccc(C)c1C ZINC001196441201 1101301831 /nfs/dbraw/zinc/30/18/31/1101301831.db2.gz IQRVJGXIDMTPSQ-HNNXBMFYSA-N 0 3 303.475 3.240 20 30 DGEDHN CC#CCCCC(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001196838790 1101404728 /nfs/dbraw/zinc/40/47/28/1101404728.db2.gz KRXQIHLXSQMABO-GOSISDBHSA-N 0 3 312.457 3.476 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2csc(C)n2)CC1 ZINC001196910488 1101434467 /nfs/dbraw/zinc/43/44/67/1101434467.db2.gz OURBLVRQVKZLJG-UHFFFAOYSA-N 0 3 321.490 3.346 20 30 DGEDHN C=C1CCC(C(=O)N2CCCN(CCCOC(C)C)CC2)CC1 ZINC001197055064 1101458267 /nfs/dbraw/zinc/45/82/67/1101458267.db2.gz GUPVGCKDLSHMHE-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2scnc2C(C)C)CC1 ZINC001197369614 1101558220 /nfs/dbraw/zinc/55/82/20/1101558220.db2.gz GRNFFSVELVXFDB-UHFFFAOYSA-N 0 3 321.490 3.381 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110493499 1101576725 /nfs/dbraw/zinc/57/67/25/1101576725.db2.gz TZWDPOPUDFUUGA-QRVBRYPASA-N 0 3 310.441 3.020 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001273745485 1101580740 /nfs/dbraw/zinc/58/07/40/1101580740.db2.gz XRQPGBWFUQJCGO-PKOBYXMFSA-N 0 3 314.473 3.278 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2C[C@H](C)CC(F)(F)F)C1=O ZINC001273747223 1101594873 /nfs/dbraw/zinc/59/48/73/1101594873.db2.gz LXABADSZUKASNY-HIFRSBDPSA-N 0 3 318.383 3.218 20 30 DGEDHN N#Cc1cc(F)cc(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001241659433 1101613412 /nfs/dbraw/zinc/61/34/12/1101613412.db2.gz PWKCSQRRIJEROJ-LJQANCHMSA-N 0 3 321.355 3.278 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC001197700920 1101645712 /nfs/dbraw/zinc/64/57/12/1101645712.db2.gz AZAAVTVPQDWQTI-ARFHVFGLSA-N 0 3 324.424 3.344 20 30 DGEDHN CCCCCCCCC(=O)N1CCCN(C[C@@H](C)OC)CC1 ZINC001197928697 1101703919 /nfs/dbraw/zinc/70/39/19/1101703919.db2.gz NSSPZMUEGKVZFB-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCO[C@H](C)C(=O)N1CCCN(CCCCCCC)CC1 ZINC001198343526 1101825824 /nfs/dbraw/zinc/82/58/24/1101825824.db2.gz LLCLQZZDMWZLKF-QGZVFWFLSA-N 0 3 310.482 3.082 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)[C@@H](C)CC)c1ccccc1OC ZINC001198540781 1101912461 /nfs/dbraw/zinc/91/24/61/1101912461.db2.gz HSAFDVYAHSKDSO-RDJZCZTQSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCN[C@H](CNC(=O)/C(C)=C\CC)c1ccccc1OC ZINC001198584969 1101931354 /nfs/dbraw/zinc/93/13/54/1101931354.db2.gz OTGXRXUKPGIQKB-XBNGYDHASA-N 0 3 316.445 3.375 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198827348 1101988255 /nfs/dbraw/zinc/98/82/55/1101988255.db2.gz QJMQQWFVKORKCE-INIZCTEOSA-N 0 3 318.461 3.453 20 30 DGEDHN COc1cccc(-c2cc(OC3CCN(C)CC3)ccn2)c1C#N ZINC001242299246 1102037082 /nfs/dbraw/zinc/03/70/82/1102037082.db2.gz JDDKJQPSGWNOPL-UHFFFAOYSA-N 0 3 323.396 3.102 20 30 DGEDHN Cc1cc(C#N)cc(-c2cncc([C@@H]3CN4CCC3CC4)n2)c1 ZINC001242478168 1102156292 /nfs/dbraw/zinc/15/62/92/1102156292.db2.gz AWEYAQIHMHEEQZ-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@]23CCN([C@@H](C)CC)C3=O)c1 ZINC001273792373 1102232380 /nfs/dbraw/zinc/23/23/80/1102232380.db2.gz QJOGCTHQWLSVEH-OXJNMPFZSA-N 0 3 310.441 3.033 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CCN(CC(C)C)C3=O)CC2)c1 ZINC001273800515 1102275686 /nfs/dbraw/zinc/27/56/86/1102275686.db2.gz PMGFWISNWLGVTM-UHFFFAOYSA-N 0 3 324.468 3.138 20 30 DGEDHN Cc1cc(-c2cc(OC3CCN(C)CC3)ccn2)ccc1C#N ZINC001242767498 1102329684 /nfs/dbraw/zinc/32/96/84/1102329684.db2.gz ZMUSYGYCBXKLMU-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN C=CCOCc1ncn2c1CN(C[C@@H]1CC=CCC1)CCC2 ZINC001201409859 1102594098 /nfs/dbraw/zinc/59/40/98/1102594098.db2.gz YMYZICCZBQBZEV-MRXNPFEDSA-N 0 3 301.434 3.148 20 30 DGEDHN C=CCOCc1ncn2c1CN(C[C@H]1CC=CCC1)CCC2 ZINC001201409858 1102594131 /nfs/dbraw/zinc/59/41/31/1102594131.db2.gz YMYZICCZBQBZEV-INIZCTEOSA-N 0 3 301.434 3.148 20 30 DGEDHN N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC001201470427 1102597171 /nfs/dbraw/zinc/59/71/71/1102597171.db2.gz SJPAZVOQGKPRMH-UXHICEINSA-N 0 3 316.408 3.108 20 30 DGEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@@H](C)CC)CC2 ZINC001201503146 1102614749 /nfs/dbraw/zinc/61/47/49/1102614749.db2.gz OBELOQYSZDAJFJ-HNNXBMFYSA-N 0 3 317.477 3.400 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccc(C)c(OC)c2)C1 ZINC001278369217 1102916526 /nfs/dbraw/zinc/91/65/26/1102916526.db2.gz NMTRAHNAVPACGA-LJQANCHMSA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C\c2ccco2)C12CCC2 ZINC001202355497 1102956608 /nfs/dbraw/zinc/95/66/08/1102956608.db2.gz ZPGKDMLWEFHFEV-JBZXTQMFSA-N 0 3 320.820 3.062 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC1CCCCC1)C2 ZINC001111093435 1103043849 /nfs/dbraw/zinc/04/38/49/1103043849.db2.gz CPZFPODEROHGMF-AITUJVMLSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001325694152 1103102843 /nfs/dbraw/zinc/10/28/43/1103102843.db2.gz SHDGBODFFPOVLW-OWZKRDHZSA-N 0 3 324.468 3.064 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001488684389 1103107742 /nfs/dbraw/zinc/10/77/42/1103107742.db2.gz ZGEWUSQVYYFDDW-UONOGXRCSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001095803652 1103161147 /nfs/dbraw/zinc/16/11/47/1103161147.db2.gz YWHPFHLDHYKRLK-RFSXOUPVSA-N 0 3 302.462 3.110 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(C=C)CCCCC1 ZINC001325922670 1103163747 /nfs/dbraw/zinc/16/37/47/1103163747.db2.gz SXPWHEFXJLLUEL-QZTJIDSGSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1(C=C)CCCCC1 ZINC001325922672 1103163906 /nfs/dbraw/zinc/16/39/06/1103163906.db2.gz SXPWHEFXJLLUEL-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001111313751 1103206102 /nfs/dbraw/zinc/20/61/02/1103206102.db2.gz SZADCFNPUWKHOI-MLHJIOFPSA-N 0 3 324.509 3.493 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2cccc(C)c2)C1 ZINC001488945011 1103214719 /nfs/dbraw/zinc/21/47/19/1103214719.db2.gz FBFQZLOHCCOFRU-DLBZAZTESA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)C2 ZINC001095815182 1103219007 /nfs/dbraw/zinc/21/90/07/1103219007.db2.gz YPNFNIXBSBPXTC-QPSCCSFWSA-N 0 3 312.404 3.110 20 30 DGEDHN Cc1cc(C)c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cn1 ZINC001244149065 1103236522 /nfs/dbraw/zinc/23/65/22/1103236522.db2.gz MNNAGWJIKYDFCU-CYBMUJFWSA-N 0 3 324.384 3.104 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001488996529 1103240134 /nfs/dbraw/zinc/24/01/34/1103240134.db2.gz GNRJQGFCKUIFNZ-ZUOZUFPHSA-N 0 3 324.896 3.392 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001326413190 1103305076 /nfs/dbraw/zinc/30/50/76/1103305076.db2.gz XUNPAGOIGSEQAM-GFCCVEGCSA-N 0 3 320.811 3.003 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)CCCCC)C[C@@H]2C1 ZINC001489202609 1103315144 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C#CCCN1CCc2c(CNC(=O)C=C(CC)CC)cccc2C1 ZINC001326669792 1103401842 /nfs/dbraw/zinc/40/18/42/1103401842.db2.gz DEXACEKKPPJKEM-UHFFFAOYSA-N 0 3 324.468 3.431 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)[C@H](C)CC)cccc2C1 ZINC001326671445 1103403305 /nfs/dbraw/zinc/40/33/05/1103403305.db2.gz ZTDBWRUIOLNFBS-OAHLLOKOSA-N 0 3 300.446 3.283 20 30 DGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1nc(C(C)(C)C)cs1 ZINC001326784610 1103441680 /nfs/dbraw/zinc/44/16/80/1103441680.db2.gz WWBIWRSTPDCWBC-NWDGAFQWSA-N 0 3 322.478 3.029 20 30 DGEDHN C=CCCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccsc4)C[C@H]32)CC1 ZINC001114795900 1103447703 /nfs/dbraw/zinc/44/77/03/1103447703.db2.gz BRFDPTHIRGBHEN-ZSHCYNCHSA-N 0 3 316.470 3.041 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001495339525 1103481593 /nfs/dbraw/zinc/48/15/93/1103481593.db2.gz DYCCSHTVWFCRBG-JKSUJKDBSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C(C)C)c1C)C2 ZINC001095900290 1103500490 /nfs/dbraw/zinc/50/04/90/1103500490.db2.gz 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/nfs/dbraw/zinc/61/38/47/1103613847.db2.gz CLMMTUTWBPKRIO-UHFFFAOYSA-N 0 3 318.486 3.365 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2(Cc3ccccc3)CC2)CC1 ZINC001490409584 1103614271 /nfs/dbraw/zinc/61/42/71/1103614271.db2.gz MZYBMRCXTWNJPV-UHFFFAOYSA-N 0 3 312.457 3.118 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C=C(\C)CC)C1 ZINC001327307667 1103619630 /nfs/dbraw/zinc/61/96/30/1103619630.db2.gz FLRTUGQEYUOLTL-YERQVDBCSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001490544434 1103642614 /nfs/dbraw/zinc/64/26/14/1103642614.db2.gz WQIQDZMXLGGOKN-INIZCTEOSA-N 0 3 318.486 3.250 20 30 DGEDHN N#Cc1c(Cl)cccc1-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001244725591 1103655500 /nfs/dbraw/zinc/65/55/00/1103655500.db2.gz YLDCLBRBHZJHSE-HNNXBMFYSA-N 0 3 324.815 3.478 20 30 DGEDHN COCCN(C)Cc1ccnc(-c2cccc(Cl)c2C#N)c1 ZINC001244723903 1103656062 /nfs/dbraw/zinc/65/60/62/1103656062.db2.gz HQOVOIMTQBJRKN-UHFFFAOYSA-N 0 3 315.804 3.352 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001327508818 1103664870 /nfs/dbraw/zinc/66/48/70/1103664870.db2.gz SSXPGNADQLBQIW-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1sccc1Cl)C1CC1 ZINC001490642684 1103675286 /nfs/dbraw/zinc/67/52/86/1103675286.db2.gz RUVMHXAGDWEKLO-ZDUSSCGKSA-N 0 3 312.866 3.352 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccc(C)nc2)CC1 ZINC001490607465 1103678820 /nfs/dbraw/zinc/67/88/20/1103678820.db2.gz BUIQPEZXTBJPHI-UHFFFAOYSA-N 0 3 315.461 3.283 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001490607416 1103679197 /nfs/dbraw/zinc/67/91/97/1103679197.db2.gz XXISPSKOQKHCSY-SJORKVTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CSC(C)C)CC1 ZINC001490610752 1103679173 /nfs/dbraw/zinc/67/91/73/1103679173.db2.gz WXMNDZCOGLOJHR-UHFFFAOYSA-N 0 3 312.523 3.407 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001490622021 1103683909 /nfs/dbraw/zinc/68/39/09/1103683909.db2.gz KOOYPIYLVXVUFA-ZWKOTPCHSA-N 0 3 304.478 3.312 20 30 DGEDHN Cc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1Cl ZINC001202800219 1103693760 /nfs/dbraw/zinc/69/37/60/1103693760.db2.gz DPXPBVYRDKMWNU-ZDUSSCGKSA-N 0 3 322.817 3.454 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C ZINC001490785714 1103744085 /nfs/dbraw/zinc/74/40/85/1103744085.db2.gz VWXHSHIHCKHKBW-CALCHBBNSA-N 0 3 315.461 3.060 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H](C)CC)no1)C2 ZINC001096122106 1103761037 /nfs/dbraw/zinc/76/10/37/1103761037.db2.gz NCMBEZQRRUOVHO-VDERGJSUSA-N 0 3 317.433 3.099 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)C2 ZINC001096142952 1103766508 /nfs/dbraw/zinc/76/65/08/1103766508.db2.gz XCUFQSSFJPUOMH-XZEJUNMKSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)cc1)C2 ZINC001096414530 1103828550 /nfs/dbraw/zinc/82/85/50/1103828550.db2.gz JPNBOJIIFWYARC-QYZOEREBSA-N 0 3 310.441 3.168 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001328240732 1103884196 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C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(F)=C(C)C)C12CCC2 ZINC001202735623 1104186443 /nfs/dbraw/zinc/18/64/43/1104186443.db2.gz MWGIEYXKFCNWKI-VXGBXAGGSA-N 0 3 300.805 3.019 20 30 DGEDHN CC/C=C/CCN1Cc2ccc(CNC(=O)C#CC3CC3)cc2C1 ZINC001274028618 1104226399 /nfs/dbraw/zinc/22/63/99/1104226399.db2.gz YZXFMWDUMUFCDJ-ONEGZZNKSA-N 0 3 322.452 3.388 20 30 DGEDHN C[C@H](CNC(=O)CCC1CCC1)N(C)Cc1cccc(C#N)c1 ZINC001329412245 1104254848 /nfs/dbraw/zinc/25/48/48/1104254848.db2.gz RAEDLSTYHOTHSP-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001329415642 1104256413 /nfs/dbraw/zinc/25/64/13/1104256413.db2.gz PSXAOKKSBDYBAX-CQSZACIVSA-N 0 3 320.502 3.495 20 30 DGEDHN CCCC(C)(C)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001274324442 1104353390 /nfs/dbraw/zinc/35/33/90/1104353390.db2.gz DGDBSGYBMRGDID-AATRIKPKSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001274531989 1104406723 /nfs/dbraw/zinc/40/67/23/1104406723.db2.gz VZESKMIXKKJCRH-OAHLLOKOSA-N 0 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C=C[C@@H](COC)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001330867741 1104666106 /nfs/dbraw/zinc/66/61/06/1104666106.db2.gz PMDAWUMOIODWMU-QMCVQRASSA-N 0 3 307.459 3.115 20 30 DGEDHN CCCCCCCCN(C)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246767224 1104667035 /nfs/dbraw/zinc/66/70/35/1104667035.db2.gz ASXPPLGTJJSYFO-CVEARBPZSA-N 0 3 312.498 3.351 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCc1nc(C)cs1 ZINC001330881526 1104668533 /nfs/dbraw/zinc/66/85/33/1104668533.db2.gz ABUVUHDYSJRIRB-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCN[C@@H](C)c1cnccn1 ZINC001330884668 1104669867 /nfs/dbraw/zinc/66/98/67/1104669867.db2.gz ZLGSDNYMRMWNGJ-GJZGRUSLSA-N 0 3 318.465 3.014 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CC1=CCCCC1 ZINC001275364754 1104736073 /nfs/dbraw/zinc/73/60/73/1104736073.db2.gz GNDTWNQVBSUCNF-MSOLQXFVSA-N 0 3 324.468 3.411 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001275468392 1104768802 /nfs/dbraw/zinc/76/88/02/1104768802.db2.gz AXZWOAKKWSKAPR-IAGOWNOFSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001275621490 1104834587 /nfs/dbraw/zinc/83/45/87/1104834587.db2.gz GYUZOPARDNUQPN-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=CCCCC(=O)N(C)C1CCC(NCc2nccs2)CC1 ZINC001275623842 1104838123 /nfs/dbraw/zinc/83/81/23/1104838123.db2.gz GWLRAJWFFJPSAP-UHFFFAOYSA-N 0 3 321.490 3.359 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001275658498 1104851639 /nfs/dbraw/zinc/85/16/39/1104851639.db2.gz ITJIAXQADPDSEZ-MRXNPFEDSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001275664988 1104854422 /nfs/dbraw/zinc/85/44/22/1104854422.db2.gz BBSNZDGYIMHMDR-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1cc(C)no1 ZINC001275709140 1104873704 /nfs/dbraw/zinc/87/37/04/1104873704.db2.gz AHDDNDXTQIOIMX-GOSISDBHSA-N 0 3 321.465 3.160 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)s1 ZINC001275729118 1104883116 /nfs/dbraw/zinc/88/31/16/1104883116.db2.gz KSZFRMSXVQZHCE-VIFPVBQESA-N 0 3 306.353 3.003 20 30 DGEDHN C=CCCNC(=S)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001247636261 1104946503 /nfs/dbraw/zinc/94/65/03/1104946503.db2.gz MVZDMDDPFOMYIW-KRWDZBQOSA-N 0 3 317.502 3.033 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1scnc1C ZINC001275920905 1104957537 /nfs/dbraw/zinc/95/75/37/1104957537.db2.gz ONTIZULWVLIGGE-CXAGYDPISA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCCCNC(=S)N(C1CCCC1)C1CCN(C)CC1 ZINC001247744664 1104972143 /nfs/dbraw/zinc/97/21/43/1104972143.db2.gz IRMBONZZSKCAEJ-UHFFFAOYSA-N 0 3 309.523 3.166 20 30 DGEDHN C[C@H](CNC(=O)CCC1(C)CC1)N(C)Cc1cccc(C#N)c1 ZINC001275969350 1104973089 /nfs/dbraw/zinc/97/30/89/1104973089.db2.gz BFTCMIZQFJUIKB-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001276010554 1104988040 /nfs/dbraw/zinc/98/80/40/1104988040.db2.gz HHXDYRZXDDCPHW-WMLDXEAASA-N 0 3 306.425 3.188 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(F)c1C)C2 ZINC001095447819 1105010458 /nfs/dbraw/zinc/01/04/58/1105010458.db2.gz OVOOVFDVYFPIRN-COXVUDFISA-N 0 3 302.393 3.045 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)oc3ccccc31)C2 ZINC001095460745 1105016400 /nfs/dbraw/zinc/01/64/00/1105016400.db2.gz UBJMLUFJIXASAN-PVAVHDDUSA-N 0 3 322.408 3.100 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2cncs2)CCCCC1 ZINC001276188646 1105042213 /nfs/dbraw/zinc/04/22/13/1105042213.db2.gz RHTMPFQUUAKVTH-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@@H]3NC[C@H]4C[C@H]43)n2)cc1Cl ZINC001248301244 1105092118 /nfs/dbraw/zinc/09/21/18/1105092118.db2.gz QNQFSVMCRFSCMC-DNSOKLHBSA-N 0 3 321.167 3.195 20 30 DGEDHN C=CCC1(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC001248675314 1105144076 /nfs/dbraw/zinc/14/40/76/1105144076.db2.gz TWLXJCYAWWMXKI-HNNXBMFYSA-N 0 3 307.482 3.295 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CCC[C@H](c2noc(C)n2)C1 ZINC001248748838 1105154783 /nfs/dbraw/zinc/15/47/83/1105154783.db2.gz XRQWFTHKKJUXJG-KRWDZBQOSA-N 0 3 310.401 3.192 20 30 DGEDHN CCCCOC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2CC)C1 ZINC001248753040 1105156436 /nfs/dbraw/zinc/15/64/36/1105156436.db2.gz NATPSYZPCWIHSA-SFHVURJKSA-N 0 3 314.429 3.286 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(Cl)ccc3OC)no2)CCCN1 ZINC001249352195 1105272213 /nfs/dbraw/zinc/27/22/13/1105272213.db2.gz XTCYPQWDQVOFMT-MRXNPFEDSA-N 0 3 317.776 3.001 20 30 DGEDHN C#CC1CCN(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC001249533390 1105308299 /nfs/dbraw/zinc/30/82/99/1105308299.db2.gz ACQFPXFVSJXJPX-UHFFFAOYSA-N 0 3 323.318 3.307 20 30 DGEDHN N#Cc1c(F)ccc(NC2=CC[C@H](N3CCOCC3)CC2)c1F ZINC001249558111 1105312871 /nfs/dbraw/zinc/31/28/71/1105312871.db2.gz GSCWXMFUMCEOMW-ZDUSSCGKSA-N 0 3 319.355 3.017 20 30 DGEDHN Cc1cc(C#N)c(NC2=CC[C@H](N3CCOCC3)CC2)cc1F ZINC001249561293 1105316246 /nfs/dbraw/zinc/31/62/46/1105316246.db2.gz JQHVFPKQQKPVAY-INIZCTEOSA-N 0 3 315.392 3.186 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC3(CC3)C1)C2 ZINC001097070275 1105339297 /nfs/dbraw/zinc/33/92/97/1105339297.db2.gz ZVPBQDSZFLQTEX-HZMVEIRTSA-N 0 3 302.462 3.254 20 30 DGEDHN COC(=O)CCN(Cc1cccc(C#N)c1F)C1CCCC1 ZINC001249686213 1105354141 /nfs/dbraw/zinc/35/41/41/1105354141.db2.gz ZCUSUZZFUHCGAR-UHFFFAOYSA-N 0 3 304.365 3.005 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CCC3)cc1)C2 ZINC001097179381 1105360200 /nfs/dbraw/zinc/36/02/00/1105360200.db2.gz QTQHQLDWQYCFNC-AQNXPRMDSA-N 0 3 322.452 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(CC)c1)C2 ZINC001097360300 1105386529 /nfs/dbraw/zinc/38/65/29/1105386529.db2.gz DQRJNTPOFDZPEY-QRVBRYPASA-N 0 3 312.457 3.089 20 30 DGEDHN C=CCCCC(=O)N1CC[C@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001278542915 1105403014 /nfs/dbraw/zinc/40/30/14/1105403014.db2.gz WSBWHRIQWVKSQJ-BMQCOBNYSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001097777650 1105442006 /nfs/dbraw/zinc/44/20/06/1105442006.db2.gz KJXBIDJUIQCBJG-QRVBRYPASA-N 0 3 312.457 3.144 20 30 DGEDHN CCOc1cc(C)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001250170379 1105457979 /nfs/dbraw/zinc/45/79/79/1105457979.db2.gz XJONMTVWKPKTKT-INIZCTEOSA-N 0 3 303.427 3.168 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccc(C)c1)C2 ZINC001097946361 1105477772 /nfs/dbraw/zinc/47/77/72/1105477772.db2.gz RBJDPYOFLLEFNL-AITUJVMLSA-N 0 3 312.457 3.396 20 30 DGEDHN Cc1cc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)ccn1 ZINC001137417014 1105518180 /nfs/dbraw/zinc/51/81/80/1105518180.db2.gz UUHMWJSSFPRBQD-IBGZPJMESA-N 0 3 307.397 3.305 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2ncc(C)s2)C1 ZINC001278586041 1105550540 /nfs/dbraw/zinc/55/05/40/1105550540.db2.gz PTFQMHLWTHYZTN-UONOGXRCSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001490916085 1105557221 /nfs/dbraw/zinc/55/72/21/1105557221.db2.gz BXAOXQMLQOVHJK-HDJSIYSDSA-N 0 3 324.827 3.428 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H](C)CC(F)(F)F)C2 ZINC001255653371 1105559696 /nfs/dbraw/zinc/55/96/96/1105559696.db2.gz NZULQIOIKTVANX-MELADBBJSA-N 0 3 307.356 3.153 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccncc3c1)C2 ZINC001098164780 1105560786 /nfs/dbraw/zinc/56/07/86/1105560786.db2.gz FKHQHWCPYRHSJM-QRVBRYPASA-N 0 3 321.424 3.146 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)C2 ZINC001098217818 1105562387 /nfs/dbraw/zinc/56/23/87/1105562387.db2.gz KSVLIDVJXNFWRW-TVFCKZIOSA-N 0 3 316.489 3.338 20 30 DGEDHN CC(C)c1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC001250758439 1105578028 /nfs/dbraw/zinc/57/80/28/1105578028.db2.gz KMNQESPPMHGKAV-FUHWJXTLSA-N 0 3 316.445 3.175 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001098897717 1105612890 /nfs/dbraw/zinc/61/28/90/1105612890.db2.gz MVCPVFQEQJVIOG-AOIWGVFYSA-N 0 3 302.462 3.280 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001098901830 1105613049 /nfs/dbraw/zinc/61/30/49/1105613049.db2.gz HGIAETJEGQBGQB-CUSZFKRNSA-N 0 3 316.470 3.008 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001098962624 1105619299 /nfs/dbraw/zinc/61/92/99/1105619299.db2.gz GSHKPGKDSHMYJK-JXFKEZNVSA-N 0 3 323.440 3.247 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2cccs2)C1 ZINC001099027487 1105631502 /nfs/dbraw/zinc/63/15/02/1105631502.db2.gz SCVLQJVBTGHMQA-KEYYUXOJSA-N 0 3 304.459 3.008 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001099049737 1105634802 /nfs/dbraw/zinc/63/48/02/1105634802.db2.gz WZGRMZFAEWUAND-BOSXTWCSSA-N 0 3 316.489 3.360 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CCCCCC2)C1 ZINC001099052376 1105635178 /nfs/dbraw/zinc/63/51/78/1105635178.db2.gz YAQFRZUHWFSVCX-ICSRJNTNSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001099106952 1105642615 /nfs/dbraw/zinc/64/26/15/1105642615.db2.gz TUIBAHDRIKSHMT-ZIAGYGMSSA-N 0 3 316.436 3.461 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC001251306525 1105648334 /nfs/dbraw/zinc/64/83/34/1105648334.db2.gz IYWDNBVHGMFKHX-WDSOQIARSA-N 0 3 318.505 3.156 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@](C)(C=C)CCOC ZINC001099159123 1105651928 /nfs/dbraw/zinc/65/19/28/1105651928.db2.gz PAXOHWHYCYFMKK-APWZRJJASA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(CCc1ccccc1)C(C)C ZINC001251359535 1105652578 /nfs/dbraw/zinc/65/25/78/1105652578.db2.gz ODECCPNAQLXBAH-UHFFFAOYSA-N 0 3 302.462 3.364 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001099171593 1105652942 /nfs/dbraw/zinc/65/29/42/1105652942.db2.gz MKNUYPRBXKGLNP-QOKNQOGYSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CCOC ZINC001099292070 1105665979 /nfs/dbraw/zinc/66/59/79/1105665979.db2.gz PDXFNMXODAQWNH-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001099349626 1105671558 /nfs/dbraw/zinc/67/15/58/1105671558.db2.gz QVKKLPPZJXUCFY-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CC=C(C)C ZINC001099360590 1105673358 /nfs/dbraw/zinc/67/33/58/1105673358.db2.gz YXCXVHBJGMRKRE-IAGOWNOFSA-N 0 3 322.493 3.151 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001491011652 1105737472 /nfs/dbraw/zinc/73/74/72/1105737472.db2.gz IZSMMWMQEWTMSJ-GASCZTMLSA-N 0 3 318.848 3.189 20 30 DGEDHN CCCCCCCC[C@H](O)CNCC(=O)NCc1ccccc1 ZINC001252135278 1105748025 /nfs/dbraw/zinc/74/80/25/1105748025.db2.gz BMTWWZMLRLSOAN-SFHVURJKSA-N 0 3 320.477 3.004 20 30 DGEDHN N#C[C@@H]1CCCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252383947 1105775029 /nfs/dbraw/zinc/77/50/29/1105775029.db2.gz ZBTDJWJMNBUBAG-AEFFLSMTSA-N 0 3 324.424 3.205 20 30 DGEDHN C=CCOC[C@@H](O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001252488105 1105783841 /nfs/dbraw/zinc/78/38/41/1105783841.db2.gz FWNYOHXDRNXPKM-LBPRGKRZSA-N 0 3 318.244 3.382 20 30 DGEDHN C=C[C@@](C)(O)CN1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001252556909 1105793552 /nfs/dbraw/zinc/79/35/52/1105793552.db2.gz GSKSYMWFXJYMTD-LJQANCHMSA-N 0 3 302.462 3.043 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001491279544 1105795604 /nfs/dbraw/zinc/79/56/04/1105795604.db2.gz CBZJEMWYBDDUEP-ZWKOTPCHSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC001491410684 1105822114 /nfs/dbraw/zinc/82/21/14/1105822114.db2.gz MNDAQIGLIXVLQS-WBMJQRKESA-N 0 3 310.388 3.476 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001491435653 1105826308 /nfs/dbraw/zinc/82/63/08/1105826308.db2.gz NHQCFPHZNYHJLF-LBPRGKRZSA-N 0 3 312.866 3.189 20 30 DGEDHN COC[C@@H](O)CN(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252818908 1105836399 /nfs/dbraw/zinc/83/63/99/1105836399.db2.gz NNIYTWBNHQXLSI-UZLBHIALSA-N 0 3 324.424 3.129 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001100761548 1105844224 /nfs/dbraw/zinc/84/42/24/1105844224.db2.gz SDXHJOGASBAUTI-GRTSSRMGSA-N 0 3 324.852 3.237 20 30 DGEDHN C[C@](O)(CN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001253091595 1105886452 /nfs/dbraw/zinc/88/64/52/1105886452.db2.gz YMJMLZXLHAQTRY-FQEVSTJZSA-N 0 3 320.436 3.451 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCN(C)c2ncccc2C1 ZINC001253237006 1105907196 /nfs/dbraw/zinc/90/71/96/1105907196.db2.gz HIUNBTWMOGWEMD-GOSISDBHSA-N 0 3 317.477 3.221 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCCCCC)C[C@]2(C)C1 ZINC001101321437 1105908181 /nfs/dbraw/zinc/90/81/81/1105908181.db2.gz ATYYTXYCBGWGJT-NSHGMRRFSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@H](CO)c1cccc(OC)c1 ZINC001253252232 1105912074 /nfs/dbraw/zinc/91/20/74/1105912074.db2.gz SSWOJNAUNGNWAJ-IEBWSBKVSA-N 0 3 321.461 3.206 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1cccc(OCC)n1 ZINC001253254048 1105913111 /nfs/dbraw/zinc/91/31/11/1105913111.db2.gz LWESSBLFSXBKEZ-KRWDZBQOSA-N 0 3 306.450 3.457 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCCCC)C[C@]2(C)C1 ZINC001101470469 1105919999 /nfs/dbraw/zinc/91/99/99/1105919999.db2.gz RPFBROTYUYCHEE-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCOCCN(C)CCOC(c1ccccc1)c1ccccc1 ZINC001253749458 1105979101 /nfs/dbraw/zinc/97/91/01/1105979101.db2.gz HVZWUISKGAFLJV-UHFFFAOYSA-N 0 3 323.436 3.374 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001102011684 1106009384 /nfs/dbraw/zinc/00/93/84/1106009384.db2.gz LSXSCRCKGIOXNU-UYAOXDASSA-N 0 3 324.468 3.079 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H](N2CCC(C)(C#N)CC2)C1 ZINC001254206891 1106035366 /nfs/dbraw/zinc/03/53/66/1106035366.db2.gz XTQXPEJEYKTZET-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001102297229 1106047752 /nfs/dbraw/zinc/04/77/52/1106047752.db2.gz PKSIOXRBXWTESD-UYAOXDASSA-N 0 3 324.468 3.079 20 30 DGEDHN COc1ccc(OC(F)(F)F)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC001254642332 1106119795 /nfs/dbraw/zinc/11/97/95/1106119795.db2.gz GWZFMEPAVNWQLJ-JQWIXIFHSA-N 0 3 314.307 3.376 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001254649296 1106122840 /nfs/dbraw/zinc/12/28/40/1106122840.db2.gz ROIVIDIECMWKPD-HOCLYGCPSA-N 0 3 314.820 3.367 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001254659961 1106126320 /nfs/dbraw/zinc/12/63/20/1106126320.db2.gz FKLZDUHHWHIPQI-RBSFLKMASA-N 0 3 307.438 3.010 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254660948 1106126406 /nfs/dbraw/zinc/12/64/06/1106126406.db2.gz NMOBBEDVQFWNED-ILXRZTDVSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254661270 1106126634 /nfs/dbraw/zinc/12/66/34/1106126634.db2.gz RGSDUYZIKVHYKN-RBSFLKMASA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@]1(C)CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254660921 1106126803 /nfs/dbraw/zinc/12/68/03/1106126803.db2.gz NFHBROUOAFTQJV-ZQIUZPCESA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1[C@H]1CC[C@H](C#N)C1 ZINC001254660991 1106126853 /nfs/dbraw/zinc/12/68/53/1106126853.db2.gz NYMPTZNYSJLACD-KKUMJFAQSA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@H]1CN([C@@H]2CC[C@H](C#N)C2)CCCN1C(=O)OC(C)(C)C ZINC001254673036 1106130987 /nfs/dbraw/zinc/13/09/87/1106130987.db2.gz GGUMSXZVWCETEJ-SOUVJXGZSA-N 0 3 307.438 3.010 20 30 DGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC001255020265 1106167695 /nfs/dbraw/zinc/16/76/95/1106167695.db2.gz YXASWZPHBWZZQG-ZBFHGGJFSA-N 0 3 319.449 3.412 20 30 DGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC001255020263 1106167868 /nfs/dbraw/zinc/16/78/68/1106167868.db2.gz YXASWZPHBWZZQG-GOEBONIOSA-N 0 3 319.449 3.412 20 30 DGEDHN CC[C@@H](CC#N)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001255169744 1106198793 /nfs/dbraw/zinc/19/87/93/1106198793.db2.gz JUAZFWPNGVWUBV-QYZOEREBSA-N 0 3 313.445 3.393 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC3(CCC3)C2)C1 ZINC001103341343 1106207787 /nfs/dbraw/zinc/20/77/87/1106207787.db2.gz ANJWNDPIVUZHIM-UKRRQHHQSA-N 0 3 324.896 3.393 20 30 DGEDHN CCOC(=O)[C@H]1CCC[C@@H](N2CCc3ccc(C#N)cc3C2)C1 ZINC001255355555 1106231791 /nfs/dbraw/zinc/23/17/91/1106231791.db2.gz CNKCALAXQGXOAA-FUHWJXTLSA-N 0 3 312.413 3.038 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1nc(Cl)cs1)C(C)C ZINC001278918290 1106387491 /nfs/dbraw/zinc/38/74/91/1106387491.db2.gz PCPYORMWLIJNKY-UHFFFAOYSA-N 0 3 315.870 3.155 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc(CC(C)C)c[nH]1)C(C)C ZINC001278926546 1106400805 /nfs/dbraw/zinc/40/08/05/1106400805.db2.gz QJMXSPMGGIOLCG-UHFFFAOYSA-N 0 3 317.477 3.019 20 30 DGEDHN CCOC1CCC(N2CCN(c3ccccc3C#N)CC2)CC1 ZINC001256436022 1106422432 /nfs/dbraw/zinc/42/24/32/1106422432.db2.gz DJOTYQQWZFZMHN-UHFFFAOYSA-N 0 3 313.445 3.028 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1c(C)onc1CC)C(C)(C)C ZINC001278945616 1106442212 /nfs/dbraw/zinc/44/22/12/1106442212.db2.gz MGHNMUOIPQZEQK-MRXNPFEDSA-N 0 3 321.465 3.132 20 30 DGEDHN Cn1cc2c(n1)CCN(C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257019623 1106524532 /nfs/dbraw/zinc/52/45/32/1106524532.db2.gz RPJPXUCJZXJSFF-UHFFFAOYSA-N 0 3 320.440 3.376 20 30 DGEDHN N#Cc1ccc(C2CCC(n3ncc4c3CCNC4)CC2)cc1 ZINC001257017127 1106524678 /nfs/dbraw/zinc/52/46/78/1106524678.db2.gz PARDOEVKWFPMDO-UHFFFAOYSA-N 0 3 306.413 3.299 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](N2CC(CC#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257187901 1106549898 /nfs/dbraw/zinc/54/98/98/1106549898.db2.gz XRLKCDMPXVEASL-HOTGVXAUSA-N 0 3 321.465 3.256 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H](CC)CCCC ZINC001257423877 1106586828 /nfs/dbraw/zinc/58/68/28/1106586828.db2.gz WUHSLEXZRYIJDA-RDJZCZTQSA-N 0 3 305.466 3.491 20 30 DGEDHN C=C1C[C@@H]2CC(N3CCCC[C@]34CC(=O)N(C)C4)C[C@H](C1)C2 ZINC001257892249 1106642729 /nfs/dbraw/zinc/64/27/29/1106642729.db2.gz WMJSQTRYQKOFOE-SUTQANCOSA-N 0 3 302.462 3.208 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)CCc1ccc(F)c(F)c1 ZINC001320007428 1106780166 /nfs/dbraw/zinc/78/01/66/1106780166.db2.gz PEMHPFOATCKMQF-UHFFFAOYSA-N 0 3 324.415 3.254 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)Cc1ccc(CC(C)C)cc1 ZINC001320017068 1106786150 /nfs/dbraw/zinc/78/61/50/1106786150.db2.gz YIIRLNSDWYDSAS-UHFFFAOYSA-N 0 3 302.462 3.004 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001316940902 1106790304 /nfs/dbraw/zinc/79/03/04/1106790304.db2.gz UJRQCMLDHVZQAJ-INIZCTEOSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC001320038871 1106808168 /nfs/dbraw/zinc/80/81/68/1106808168.db2.gz WHIXUPLFYLIGFV-QGZVFWFLSA-N 0 3 303.402 3.029 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1cccc(Cl)c1Cl ZINC001320079264 1106849321 /nfs/dbraw/zinc/84/93/21/1106849321.db2.gz RODQWNVABPPYKU-UHFFFAOYSA-N 0 3 301.217 3.183 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001316976156 1106835683 /nfs/dbraw/zinc/83/56/83/1106835683.db2.gz PJLHLGOTVYPCNM-IBGZPJMESA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)c1ccccc1Cl ZINC001320072893 1106843907 /nfs/dbraw/zinc/84/39/07/1106843907.db2.gz PSURMMSYBVATQY-UHFFFAOYSA-N 0 3 308.853 3.194 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001316988201 1106858483 /nfs/dbraw/zinc/85/84/83/1106858483.db2.gz GGHXKIGVXMRNDO-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCc2ccccc2)C1 ZINC001316987551 1106859914 /nfs/dbraw/zinc/85/99/14/1106859914.db2.gz TVLBLHHXRJJWEC-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC001316992549 1106871114 /nfs/dbraw/zinc/87/11/14/1106871114.db2.gz RBJZGKCOBMHABY-HKUYNNGSSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cccc(F)c2)CC1 ZINC001317008244 1106892770 /nfs/dbraw/zinc/89/27/70/1106892770.db2.gz QVTKOCQKIIEQMX-UHFFFAOYSA-N 0 3 304.409 3.328 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC001320156695 1106907213 /nfs/dbraw/zinc/90/72/13/1106907213.db2.gz MMHDLSPAVLCIMX-HNNXBMFYSA-N 0 3 320.458 3.237 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001317026344 1106916679 /nfs/dbraw/zinc/91/66/79/1106916679.db2.gz ZLYXXPJVZJRJGH-LBPRGKRZSA-N 0 3 319.276 3.392 20 30 DGEDHN CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258707501 1106921839 /nfs/dbraw/zinc/92/18/39/1106921839.db2.gz AKKBWIGRLLQIDE-IRXDYDNUSA-N 0 3 306.450 3.298 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001317037620 1106933970 /nfs/dbraw/zinc/93/39/70/1106933970.db2.gz WONAXTCJRKRFTB-LJQANCHMSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)o1 ZINC001317044593 1106944620 /nfs/dbraw/zinc/94/46/20/1106944620.db2.gz HVXBEDFRVWZMKG-BHYGNILZSA-N 0 3 316.445 3.160 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCO1 ZINC001317045244 1106946956 /nfs/dbraw/zinc/94/69/56/1106946956.db2.gz YQCJACGALUYUCQ-FGTMMUONSA-N 0 3 322.493 3.201 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001317049991 1106952064 /nfs/dbraw/zinc/95/20/64/1106952064.db2.gz IUHHSBUUPDIATH-LMMHAMTPSA-N 0 3 302.462 3.062 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001320319683 1106958441 /nfs/dbraw/zinc/95/84/41/1106958441.db2.gz BFZPHQDOVHFWNL-KRWDZBQOSA-N 0 3 317.429 3.419 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001317116756 1107012472 /nfs/dbraw/zinc/01/24/72/1107012472.db2.gz BXAOXQMLQOVHJK-OKILXGFUSA-N 0 3 324.827 3.428 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C2(C3CCCCC3)CC2)C1 ZINC001317145179 1107054151 /nfs/dbraw/zinc/05/41/51/1107054151.db2.gz XSMNXMZGFSRBDE-QGZVFWFLSA-N 0 3 316.489 3.198 20 30 DGEDHN CN(CC1(C#N)CC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001320639412 1107083868 /nfs/dbraw/zinc/08/38/68/1107083868.db2.gz ZCJUQRANSRXZEY-UHFFFAOYSA-N 0 3 307.438 3.058 20 30 DGEDHN CC[C@@H](C)C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001317180763 1107103053 /nfs/dbraw/zinc/10/30/53/1107103053.db2.gz GNABXKMAUUQEII-IEBWSBKVSA-N 0 3 312.457 3.055 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C1(C)CCCC1 ZINC001320810164 1107144850 /nfs/dbraw/zinc/14/48/50/1107144850.db2.gz PKCDKYPYLWGYMQ-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001317243623 1107169346 /nfs/dbraw/zinc/16/93/46/1107169346.db2.gz BXHRUDIQWQOEOR-SJCJKPOMSA-N 0 3 322.399 3.403 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC001320967700 1107205656 /nfs/dbraw/zinc/20/56/56/1107205656.db2.gz NZFQSQRODITQTI-OALUTQOASA-N 0 3 317.429 3.021 20 30 DGEDHN CC(C)(C)C#CC(=O)NC/C=C/CNCc1ccc(Cl)s1 ZINC001321053384 1107235147 /nfs/dbraw/zinc/23/51/47/1107235147.db2.gz XZDXDKCUABJTEB-SNAWJCMRSA-N 0 3 324.877 3.213 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC001317360927 1107263178 /nfs/dbraw/zinc/26/31/78/1107263178.db2.gz ZXAGAYBHMSHREH-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001321184097 1107277005 /nfs/dbraw/zinc/27/70/05/1107277005.db2.gz FPVLBKKZEXWRHO-BQYQJAHWSA-N 0 3 315.461 3.063 20 30 DGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC001321242164 1107300363 /nfs/dbraw/zinc/30/03/63/1107300363.db2.gz UWCWCPUOBILERD-PWSUYJOCSA-N 0 3 301.333 3.148 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1nc(C)c(C)s1 ZINC001317393611 1107308324 /nfs/dbraw/zinc/30/83/24/1107308324.db2.gz BLCJWYMBQLLSNN-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)nc1C1CC1 ZINC001317400561 1107317655 /nfs/dbraw/zinc/31/76/55/1107317655.db2.gz LNDHLHHGUWGXPC-LBPRGKRZSA-N 0 3 321.852 3.118 20 30 DGEDHN Cn1cc(-c2ccc(CNCc3cccc(C#N)c3)cc2)cn1 ZINC001321529473 1107374820 /nfs/dbraw/zinc/37/48/20/1107374820.db2.gz CQUFKDNQJQZDTP-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001317457632 1107408119 /nfs/dbraw/zinc/40/81/19/1107408119.db2.gz WJASLHICGIXASB-QGZVFWFLSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)Cc2ccccc2C)CCC1 ZINC001317459885 1107410231 /nfs/dbraw/zinc/41/02/31/1107410231.db2.gz OEZWPKIUWIWFPL-UHFFFAOYSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001321950099 1107470255 /nfs/dbraw/zinc/47/02/55/1107470255.db2.gz RCQUSXOBLFPPIQ-JTQLQIEISA-N 0 3 300.855 3.208 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001317508870 1107470801 /nfs/dbraw/zinc/47/08/01/1107470801.db2.gz GGYWQHDUADPTEB-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)NCCN([C@@H](C)c1cccc(F)c1)C1CC1 ZINC001317549134 1107522575 /nfs/dbraw/zinc/52/25/75/1107522575.db2.gz LCWLEBYPBYEXKE-AWEZNQCLSA-N 0 3 304.409 3.434 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1 ZINC001317554522 1107531332 /nfs/dbraw/zinc/53/13/32/1107531332.db2.gz JZZQGEGURJECQF-UHFFFAOYSA-N 0 3 317.820 3.202 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC001261829373 1107538647 /nfs/dbraw/zinc/53/86/47/1107538647.db2.gz NUOMGQSKHPAVND-MRXNPFEDSA-N 0 3 303.402 3.013 20 30 DGEDHN C=CCN(CCNC(=O)c1sc(C(C)(C)C)nc1C)C1CC1 ZINC001317560700 1107541276 /nfs/dbraw/zinc/54/12/76/1107541276.db2.gz RESGHHJSWHIUJW-UHFFFAOYSA-N 0 3 321.490 3.129 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCNCc1ccc(Cl)c(F)c1 ZINC001317591101 1107556615 /nfs/dbraw/zinc/55/66/15/1107556615.db2.gz DAUARLNYAVNBDQ-UHFFFAOYSA-N 0 3 312.816 3.383 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc[nH]1)c1ccc(C(C)C)cc1 ZINC001317710757 1107614404 /nfs/dbraw/zinc/61/44/04/1107614404.db2.gz ARNAGVSIULIWNY-SFHVURJKSA-N 0 3 311.429 3.385 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c(C)cccc1C ZINC001317730346 1107628202 /nfs/dbraw/zinc/62/82/02/1107628202.db2.gz OZRUNYZDSMKBDA-HDICACEKSA-N 0 3 312.457 3.445 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccc(F)c2C)C1 ZINC001317759650 1107645381 /nfs/dbraw/zinc/64/53/81/1107645381.db2.gz SFTJTQQDGNEBQL-MRXNPFEDSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCC2CCOCC2)C1 ZINC001317766594 1107649658 /nfs/dbraw/zinc/64/96/58/1107649658.db2.gz FSHGSUJLDQLDHT-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2cc(C(C)C)no2)C1 ZINC001317767963 1107652233 /nfs/dbraw/zinc/65/22/33/1107652233.db2.gz XPIYGVNKNBVTSN-HNNXBMFYSA-N 0 3 319.449 3.301 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC001317833666 1107696205 /nfs/dbraw/zinc/69/62/05/1107696205.db2.gz VBLLKGRYFMJDDL-FQEVSTJZSA-N 0 3 324.468 3.009 20 30 DGEDHN C=C(Br)CNCCCN(C)C(=O)CC(C)=C(C)C ZINC001322648644 1107725609 /nfs/dbraw/zinc/72/56/09/1107725609.db2.gz PNRJAIVPYPDGMC-UHFFFAOYSA-N 0 3 317.271 3.080 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ncc(C)s2)[C@@H](CC)C1 ZINC001323129556 1107844521 /nfs/dbraw/zinc/84/45/21/1107844521.db2.gz MFISWVXQVPISKV-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001318147059 1107859612 /nfs/dbraw/zinc/85/96/12/1107859612.db2.gz WQCVEFZDWIUPNE-KRWDZBQOSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCC1(C(=O)NCC2CN(Cc3cccc(C)c3)C2)CCC1 ZINC001318150947 1107864166 /nfs/dbraw/zinc/86/41/66/1107864166.db2.gz QRQFTPFJMSAFPQ-UHFFFAOYSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1sc(C)cc1C ZINC001323339441 1107942219 /nfs/dbraw/zinc/94/22/19/1107942219.db2.gz GILWZNFGDAFHKX-OAHLLOKOSA-N 0 3 306.475 3.064 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001323339187 1107942572 /nfs/dbraw/zinc/94/25/72/1107942572.db2.gz FFASWBQKGLYIHT-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001323338115 1107944055 /nfs/dbraw/zinc/94/40/55/1107944055.db2.gz YPVUAIUSIJWCAP-INIZCTEOSA-N 0 3 317.477 3.278 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001263100699 1107945540 /nfs/dbraw/zinc/94/55/40/1107945540.db2.gz VGMDAKBNVCZRNH-NWDGAFQWSA-N 0 3 309.479 3.301 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001318329437 1107945849 /nfs/dbraw/zinc/94/58/49/1107945849.db2.gz MIMFEZZSLFFPHH-GOSISDBHSA-N 0 3 312.457 3.304 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC(C)(C)c2ccccc2)C1 ZINC001318446761 1108012407 /nfs/dbraw/zinc/01/24/07/1108012407.db2.gz XZKKSIWMKFVKPI-QGZVFWFLSA-N 0 3 300.446 3.073 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nccn1Cc1ccccc1 ZINC001263332345 1108019869 /nfs/dbraw/zinc/01/98/69/1108019869.db2.gz MPEQKBINSGTDFO-IKGGRYGDSA-N 0 3 305.381 3.154 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001318477774 1108038013 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Cn1c(Cl)cnc1C(C#N)C(=O)CCCC(=O)C(C)(C)C ZINC001263616322 1108112712 /nfs/dbraw/zinc/11/27/12/1108112712.db2.gz SZUXTWHPCBSYLS-JTQLQIEISA-N 0 3 309.797 3.035 20 30 DGEDHN C=CCO[C@@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001324039327 1108154817 /nfs/dbraw/zinc/15/48/17/1108154817.db2.gz NTFURXIJWDNZOX-HUUCEWRRSA-N 0 3 315.335 3.016 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001318948392 1108248728 /nfs/dbraw/zinc/24/87/28/1108248728.db2.gz QYQOIZQKYQSNBB-NBRBQIPLSA-N 0 3 311.429 3.041 20 30 DGEDHN C#CCN(C(=O)[C@H](C)CC)C1CCN(Cc2ccccc2)CC1 ZINC001324362470 1108264928 /nfs/dbraw/zinc/26/49/28/1108264928.db2.gz PCMWGCFLCAQJMG-QGZVFWFLSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCCCC2(C)C)cc1 ZINC001319008361 1108274117 /nfs/dbraw/zinc/27/41/17/1108274117.db2.gz CFYCWUQMSVRRMM-GOSISDBHSA-N 0 3 312.457 3.242 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccncc1 ZINC001263946700 1108307988 /nfs/dbraw/zinc/30/79/88/1108307988.db2.gz WWFPYSMCRJNFHC-XJKSGUPXSA-N 0 3 321.852 3.055 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCCCC)C2 ZINC001324550571 1108338537 /nfs/dbraw/zinc/33/85/37/1108338537.db2.gz VSAPMDYPFOUIAS-LJQANCHMSA-N 0 3 304.478 3.295 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1Cc1ccc(C)cc1 ZINC001264051607 1108355275 /nfs/dbraw/zinc/35/52/75/1108355275.db2.gz IWXBMFKDZFYEHL-RBUKOAKNSA-N 0 3 312.457 3.124 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1ccncc1Cl ZINC001319241851 1108382664 /nfs/dbraw/zinc/38/26/64/1108382664.db2.gz KTCCXBPMHLURSW-CYBMUJFWSA-N 0 3 323.868 3.179 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2ccc(CC)cc2)C1 ZINC001324673863 1108418592 /nfs/dbraw/zinc/41/85/92/1108418592.db2.gz OQRJFMZGICGVFG-FQEVSTJZSA-N 0 3 314.473 3.338 20 30 DGEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)[C@@H](C)CC)C2 ZINC001264188321 1108423930 /nfs/dbraw/zinc/42/39/30/1108423930.db2.gz DDZBSPMOPLIITM-ZDUSSCGKSA-N 0 3 321.490 3.130 20 30 DGEDHN C#CCN(Cc1ccc(OC)c(Br)c1)CC1CC1 ZINC001324763447 1108456577 /nfs/dbraw/zinc/45/65/77/1108456577.db2.gz GDITWZHTJXWSJQ-UHFFFAOYSA-N 0 3 308.219 3.303 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1c(C)cc(C)cc1C ZINC001264370654 1108478739 /nfs/dbraw/zinc/47/87/39/1108478739.db2.gz HQONGDWVNSFUDK-SFHVURJKSA-N 0 3 314.473 3.263 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001264372582 1108483387 /nfs/dbraw/zinc/48/33/87/1108483387.db2.gz ICGIGWGXNXMDDK-QGZVFWFLSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001264378014 1108491802 /nfs/dbraw/zinc/49/18/02/1108491802.db2.gz BVUDTBNMFHXIOX-HIFRSBDPSA-N 0 3 319.449 3.046 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@H]1CC=CCC1 ZINC001319509145 1108497766 /nfs/dbraw/zinc/49/77/66/1108497766.db2.gz DXUIIAVFQDOYOS-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cc(C)cc(C)c2)[C@H]1CC ZINC001264622775 1108597172 /nfs/dbraw/zinc/59/71/72/1108597172.db2.gz YRDDDSSCJHSOMR-RBUKOAKNSA-N 0 3 314.473 3.391 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001319741256 1108618742 /nfs/dbraw/zinc/61/87/42/1108618742.db2.gz MLFLYLHRMLKPSM-CAOSSQGBSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2F)[C@H]1C ZINC001264723598 1108633783 /nfs/dbraw/zinc/63/37/83/1108633783.db2.gz NJHMLMMXGXYHHD-DAYGRLMNSA-N 0 3 318.436 3.474 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1CC ZINC001325367307 1108634897 /nfs/dbraw/zinc/63/48/97/1108634897.db2.gz SNXJPLSLJQCYIN-MAUKXSAKSA-N 0 3 302.462 3.474 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001281086781 1108672121 /nfs/dbraw/zinc/67/21/21/1108672121.db2.gz GKXJBQFTPVLPKR-XBMZPMPPSA-N 0 3 310.869 3.410 20 30 DGEDHN C=CCC1(C(=O)NCCCN(C)Cc2ncccc2C)CCC1 ZINC001265032142 1108704542 /nfs/dbraw/zinc/70/45/42/1108704542.db2.gz KWHUSFUVLFPRIO-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccccc1-c1ccccc1 ZINC001265065901 1108718011 /nfs/dbraw/zinc/71/80/11/1108718011.db2.gz CUCQHXWJYILATE-UHFFFAOYSA-N 0 3 320.436 3.429 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CCC(F)(F)F)C2CC2)C1 ZINC001265175081 1108758992 /nfs/dbraw/zinc/75/89/92/1108758992.db2.gz TYQKXYPAQUXGIS-UHFFFAOYSA-N 0 3 318.383 3.266 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc(Cl)ccc1C)C1CC1 ZINC001265178758 1108761220 /nfs/dbraw/zinc/76/12/20/1108761220.db2.gz MNJCRFAOPHCSMW-UHFFFAOYSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001265329391 1108829747 /nfs/dbraw/zinc/82/97/47/1108829747.db2.gz FMPHIUZGUDZQGW-BMWLXYDHSA-N 0 3 310.869 3.312 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001265333886 1108830136 /nfs/dbraw/zinc/83/01/36/1108830136.db2.gz GCAREMZQTIJROG-MSOLQXFVSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC001265333888 1108830653 /nfs/dbraw/zinc/83/06/53/1108830653.db2.gz GCAREMZQTIJROG-ROUUACIJSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)COCC2CCCC2)CC1 ZINC001265338841 1108833259 /nfs/dbraw/zinc/83/32/59/1108833259.db2.gz NCAUKOXUYGXDNC-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccn(C)c2C)CC1 ZINC001265340497 1108834595 /nfs/dbraw/zinc/83/45/95/1108834595.db2.gz UFWHUSWWSZMVTQ-UHFFFAOYSA-N 0 3 317.477 3.226 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001265403660 1108863946 /nfs/dbraw/zinc/86/39/46/1108863946.db2.gz OGSVNXKMFTUREK-YESZJQIVSA-N 0 3 313.445 3.034 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001265510200 1108894653 /nfs/dbraw/zinc/89/46/53/1108894653.db2.gz KBOXUBGJFPRSLX-XYPYZODXSA-N 0 3 324.774 3.098 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001265705990 1108977554 /nfs/dbraw/zinc/97/75/54/1108977554.db2.gz PJYCKNHJPDHAEC-YJBOKZPZSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001265706050 1108977979 /nfs/dbraw/zinc/97/79/79/1108977979.db2.gz QBDQKQJPLWRYPJ-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001265706047 1108978189 /nfs/dbraw/zinc/97/81/89/1108978189.db2.gz QBDQKQJPLWRYPJ-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001265720683 1108980794 /nfs/dbraw/zinc/98/07/94/1108980794.db2.gz PVZDOVVESLVCRI-BQIVUONSSA-N 0 3 324.468 3.349 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001265987819 1109057184 /nfs/dbraw/zinc/05/71/84/1109057184.db2.gz GUAMSQOJQOWDJI-XLIONFOSSA-N 0 3 324.468 3.197 20 30 DGEDHN CCN(CCCNC(=O)[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1F ZINC001266027952 1109068240 /nfs/dbraw/zinc/06/82/40/1109068240.db2.gz DFLCUZUAZWUKKL-OLZOCXBDSA-N 0 3 323.387 3.014 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C1CC2(CC2)C1 ZINC001266082103 1109083752 /nfs/dbraw/zinc/08/37/52/1109083752.db2.gz COYXFAXFXGPSCX-UHFFFAOYSA-N 0 3 324.468 3.057 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266116955 1109097448 /nfs/dbraw/zinc/09/74/48/1109097448.db2.gz PQWIBKUTVZCFFW-DLBZAZTESA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001266116956 1109098628 /nfs/dbraw/zinc/09/86/28/1109098628.db2.gz PQWIBKUTVZCFFW-IAGOWNOFSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CCC(=O)NCC[C@@H](C)NCc1cnc(Cl)s1 ZINC001266149220 1109107910 /nfs/dbraw/zinc/10/79/10/1109107910.db2.gz RHUXHXAIZIRBIM-LLVKDONJSA-N 0 3 315.870 3.137 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)CC(F)(F)F)CC1 ZINC001266195250 1109123359 /nfs/dbraw/zinc/12/33/59/1109123359.db2.gz QFGBNWXHBFYRRZ-UHFFFAOYSA-N 0 3 306.372 3.074 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)c1 ZINC001266217446 1109130326 /nfs/dbraw/zinc/13/03/26/1109130326.db2.gz AAFWLIZLVSDCLD-IEBWSBKVSA-N 0 3 324.468 3.358 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCc2ccc(F)cc2)C1 ZINC001266240439 1109137389 /nfs/dbraw/zinc/13/73/89/1109137389.db2.gz VPDWZFIWZITHSV-SFHVURJKSA-N 0 3 318.436 3.305 20 30 DGEDHN CN(C(=O)CCCC1CC1)C1CC(NCC#Cc2ccccc2)C1 ZINC001279274238 1109144494 /nfs/dbraw/zinc/14/44/94/1109144494.db2.gz SYTYCTUGGDCGKA-UHFFFAOYSA-N 0 3 324.468 3.197 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cc(C)c(C)o1 ZINC001279304438 1109146231 /nfs/dbraw/zinc/14/62/31/1109146231.db2.gz HDSCQKZNCDPSQD-UHFFFAOYSA-N 0 3 324.424 3.152 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CCc2cc(C)cc(C)c2)CC1 ZINC001279669226 1109159636 /nfs/dbraw/zinc/15/96/36/1109159636.db2.gz VHOPEVFSYLWGQI-UHFFFAOYSA-N 0 3 312.457 3.170 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)c2ccc(Cl)o2)c(F)c1 ZINC001279703604 1109160835 /nfs/dbraw/zinc/16/08/35/1109160835.db2.gz IWLNAVYFAGZWKS-UHFFFAOYSA-N 0 3 322.767 3.278 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001280219335 1109180331 /nfs/dbraw/zinc/18/03/31/1109180331.db2.gz KLSZVZFYJFDCBT-CABCVRRESA-N 0 3 324.852 3.272 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@@H](C)CC)cc1 ZINC001280354287 1109189562 /nfs/dbraw/zinc/18/95/62/1109189562.db2.gz MIQXYFGPYVAKDM-HOTGVXAUSA-N 0 3 300.446 3.413 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)CCC(C)(C)C)C2)CC1 ZINC001280394461 1109197364 /nfs/dbraw/zinc/19/73/64/1109197364.db2.gz NOKYSSJDRSZDNE-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2nocc2C)CC1 ZINC001281017904 1109290763 /nfs/dbraw/zinc/29/07/63/1109290763.db2.gz VRZCDJFMPVIYQQ-UHFFFAOYSA-N 0 3 319.449 3.200 20 30 DGEDHN CC(C)=C(C)CC(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001281431199 1109352004 /nfs/dbraw/zinc/35/20/04/1109352004.db2.gz WSRYONFDWWWLEF-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001316611756 1109371546 /nfs/dbraw/zinc/37/15/46/1109371546.db2.gz XWQNAPJUDAZBGK-OPQOLIRYSA-N 0 3 304.478 3.312 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001281553201 1109379816 /nfs/dbraw/zinc/37/98/16/1109379816.db2.gz OWCMDRWXCVNTTP-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C1(C)CCC1 ZINC001281776207 1109407341 /nfs/dbraw/zinc/40/73/41/1109407341.db2.gz JULMESJJGNMKNR-SFHVURJKSA-N 0 3 312.457 3.468 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1ccco1 ZINC001281897880 1109414360 /nfs/dbraw/zinc/41/43/60/1109414360.db2.gz XOYPVJXSVBIYNF-UYAOXDASSA-N 0 3 324.424 3.160 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NCc1cc2ccccc2o1 ZINC001282129817 1109455211 /nfs/dbraw/zinc/45/52/11/1109455211.db2.gz VDFKNKJSHDUMNP-HUUCEWRRSA-N 0 3 312.413 3.075 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001282133088 1109456021 /nfs/dbraw/zinc/45/60/21/1109456021.db2.gz JLLQPUBQENCYRL-RYUDHWBXSA-N 0 3 323.506 3.345 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282168287 1109461378 /nfs/dbraw/zinc/46/13/78/1109461378.db2.gz QIGKSFWPSMHTJM-OALUTQOASA-N 0 3 324.468 3.105 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2c(C)nsc2C)C1 ZINC001282186491 1109465302 /nfs/dbraw/zinc/46/53/02/1109465302.db2.gz VMMLKYNGKHJRAM-NEPJUHHUSA-N 0 3 321.490 3.099 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1Cc2ccccc21 ZINC001282310799 1109482106 /nfs/dbraw/zinc/48/21/06/1109482106.db2.gz SQFXLZSYDDRVMK-MRXNPFEDSA-N 0 3 320.864 3.153 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282455985 1109515485 /nfs/dbraw/zinc/51/54/85/1109515485.db2.gz VDQZJBQQKMUKMK-BEFAXECRSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282455988 1109515723 /nfs/dbraw/zinc/51/57/23/1109515723.db2.gz VDQZJBQQKMUKMK-KXBFYZLASA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(c2ccccc2)CCCC1 ZINC001282487562 1109524369 /nfs/dbraw/zinc/52/43/69/1109524369.db2.gz YJUFFULVIQKAOJ-INIZCTEOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCCC(=O)NC1(CNCc2cncc(F)c2)CCCCC1 ZINC001282598387 1109535258 /nfs/dbraw/zinc/53/52/58/1109535258.db2.gz UHQGNWGXZAFQMF-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001282736859 1109558927 /nfs/dbraw/zinc/55/89/27/1109558927.db2.gz IORCFQWZKBDASD-SJORKVTESA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC001282786229 1109564498 /nfs/dbraw/zinc/56/44/98/1109564498.db2.gz FFNMRRUPUVCXRN-CYBMUJFWSA-N 0 3 302.409 3.215 20 30 DGEDHN Cc1cc(C)cc(CN2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)c1 ZINC001282800986 1109567875 /nfs/dbraw/zinc/56/78/75/1109567875.db2.gz QWJNWBSYBUQFAZ-IBGZPJMESA-N 0 3 324.468 3.043 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCCc2ccsc2)C(C)(C)C1 ZINC001282809177 1109567947 /nfs/dbraw/zinc/56/79/47/1109567947.db2.gz CRMDNMCCGVFLKV-HNNXBMFYSA-N 0 3 306.475 3.083 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccsc2)C(C)(C)C1 ZINC001282812804 1109569162 /nfs/dbraw/zinc/56/91/62/1109569162.db2.gz ZOFSHXFPBUCPJH-HNNXBMFYSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@H](C)c2ccccc2)C(C)(C)C1 ZINC001282833466 1109572741 /nfs/dbraw/zinc/57/27/41/1109572741.db2.gz KSLCWANQHNQELK-RDJZCZTQSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C=C(/C)C3CC3)C[C@H]2C1 ZINC001282941260 1109582148 /nfs/dbraw/zinc/58/21/48/1109582148.db2.gz WGPSXGQZSODJNK-LUISSPCTSA-N 0 3 322.880 3.312 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)/C=C(\C)C3CC3)C[C@@H]2C1 ZINC001282941262 1109582228 /nfs/dbraw/zinc/58/22/28/1109582228.db2.gz WGPSXGQZSODJNK-YYKBNGSRSA-N 0 3 322.880 3.312 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001283111987 1109595848 /nfs/dbraw/zinc/59/58/48/1109595848.db2.gz YVZDFZJHOVKCOZ-NVIVIFAWSA-N 0 3 312.885 3.440 20 30 DGEDHN CCCCCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001283569642 1109654501 /nfs/dbraw/zinc/65/45/01/1109654501.db2.gz AVTAVQQBOIRVNV-AWEZNQCLSA-N 0 3 319.424 3.214 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001283655432 1109667674 /nfs/dbraw/zinc/66/76/74/1109667674.db2.gz XMJNAMHKKLRXGH-CQSZACIVSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1cc(C)ccc1OC ZINC001283653880 1109667776 /nfs/dbraw/zinc/66/77/76/1109667776.db2.gz RWCUTOVOPLAZEY-HNNXBMFYSA-N 0 3 318.461 3.152 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2scnc2C)C[C@H]1C ZINC001283987228 1109711221 /nfs/dbraw/zinc/71/12/21/1109711221.db2.gz XFWZGOMPCXRDRC-TZMCWYRMSA-N 0 3 321.490 3.133 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)c3ccccc23)C1 ZINC001284005451 1109714030 /nfs/dbraw/zinc/71/40/30/1109714030.db2.gz WTEGWWDMIJBVRI-LSDHHAIUSA-N 0 3 324.399 3.195 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCC[C@@H](C)CC)CCC[C@H]12 ZINC001284058781 1109725968 /nfs/dbraw/zinc/72/59/68/1109725968.db2.gz RYLUELSLFKNBJU-JENIJYKNSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccc(Cl)cc2)[C@H]1C ZINC001284129098 1109743565 /nfs/dbraw/zinc/74/35/65/1109743565.db2.gz GCIQEURJZOLZHG-RHSMWYFYSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)[C@@H]1C ZINC001284154212 1109750037 /nfs/dbraw/zinc/75/00/37/1109750037.db2.gz NXTJCSPHMPIKSJ-GUYCJALGSA-N 0 3 322.399 3.053 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)[C@H]1C ZINC001284154210 1109750197 /nfs/dbraw/zinc/75/01/97/1109750197.db2.gz NXTJCSPHMPIKSJ-DYVFJYSZSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC)CCCCC2)[C@H]1C ZINC001284156544 1109750579 /nfs/dbraw/zinc/75/05/79/1109750579.db2.gz YLUAQNDYIHGUDB-IAGOWNOFSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1csc(CC(C)C)n1)C(C)C ZINC001284562313 1109813341 /nfs/dbraw/zinc/81/33/41/1109813341.db2.gz KHAMPLPTGFNXEP-UHFFFAOYSA-N 0 3 323.506 3.310 20 30 DGEDHN C=C(Br)CNC[C@H](NC(=O)CCCC)C(C)(C)C ZINC001284566962 1109815134 /nfs/dbraw/zinc/81/51/34/1109815134.db2.gz YWNYGYASQDIORM-LBPRGKRZSA-N 0 3 319.287 3.206 20 30 DGEDHN CN(C(=O)[C@@H]1CCC1(C)C)C1CC(NCC#Cc2ccccc2)C1 ZINC001284787419 1109860526 /nfs/dbraw/zinc/86/05/26/1109860526.db2.gz BQLQXSZQRQMWPO-ACBHZAAOSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C=C(CC)CC)c(F)c1 ZINC001285004332 1109891096 /nfs/dbraw/zinc/89/10/96/1109891096.db2.gz HYEOIYHTGVIASL-UHFFFAOYSA-N 0 3 304.409 3.464 20 30 DGEDHN C=CCCC[C@H](C(=O)NCCN1CCCC1)c1ccccc1 ZINC001290393086 1110245051 /nfs/dbraw/zinc/24/50/51/1110245051.db2.gz PHWLNHPOZGLXIU-SFHVURJKSA-N 0 3 300.446 3.339 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001317465189 1111235877 /nfs/dbraw/zinc/23/58/77/1111235877.db2.gz JPSZYMKKQQAMRC-SFHVURJKSA-N 0 3 302.462 3.440 20 30 DGEDHN C=CC[C@@H](C(=O)NCCN(C)CC=C(C)C)c1ccccc1 ZINC001317471576 1111302875 /nfs/dbraw/zinc/30/28/75/1111302875.db2.gz KQHWJUXBTISDOE-GOSISDBHSA-N 0 3 300.446 3.361 20 30 DGEDHN C#CCC1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC001308105250 1111378490 /nfs/dbraw/zinc/37/84/90/1111378490.db2.gz JDRCJGIFFUZHIR-UHFFFAOYSA-N 0 3 317.345 3.319 20 30 DGEDHN C=CCNC(=O)CNCc1cccc(-c2ccc(Cl)cc2)c1 ZINC001308348242 1111419774 /nfs/dbraw/zinc/41/97/74/1111419774.db2.gz GEAQBLZBBJAKKU-UHFFFAOYSA-N 0 3 314.816 3.399 20 30 DGEDHN N#CCCCNCc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001308368973 1111422956 /nfs/dbraw/zinc/42/29/56/1111422956.db2.gz DPCMNWYFWYCSIC-UHFFFAOYSA-N 0 3 318.808 3.009 20 30 DGEDHN C=C[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC001308473821 1111432655 /nfs/dbraw/zinc/43/26/55/1111432655.db2.gz QYXJGLZOVITROD-QGZVFWFLSA-N 0 3 301.361 3.041 20 30 DGEDHN C#CC1(NCc2cc3c(c(Br)c2)OCO3)CCCC1 ZINC001308500569 1111435710 /nfs/dbraw/zinc/43/57/10/1111435710.db2.gz LUHRRIGXEPFHMV-UHFFFAOYSA-N 0 3 322.202 3.213 20 30 DGEDHN COc1cccc2c1CCC[C@H](NCc1nc(C#N)cs1)C2 ZINC001308537119 1111439551 /nfs/dbraw/zinc/43/95/51/1111439551.db2.gz RNABXKLEDPGRCE-ZDUSSCGKSA-N 0 3 313.426 3.061 20 30 DGEDHN C#C[C@@H]1CCCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001308839761 1111482287 /nfs/dbraw/zinc/48/22/87/1111482287.db2.gz GDMGZLPBLVGWFX-OAHLLOKOSA-N 0 3 308.466 3.367 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001313126359 1111696076 /nfs/dbraw/zinc/69/60/76/1111696076.db2.gz SNBMEYIXPOFRLU-UHFFFAOYSA-N 0 3 309.498 3.495 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(CC(C)C)CCC3)C[C@@H]2C1 ZINC001316754409 1111759852 /nfs/dbraw/zinc/75/98/52/1111759852.db2.gz VAPSPGWNCZLZCF-MSOLQXFVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc2c(o1)CCCC2 ZINC001316802342 1111770590 /nfs/dbraw/zinc/77/05/90/1111770590.db2.gz KXXQZSLFOVCYFK-INIZCTEOSA-N 0 3 316.445 3.271 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1CN(C)C[C@H]1CCCCO1 ZINC001316804600 1111772693 /nfs/dbraw/zinc/77/26/93/1111772693.db2.gz SABIWOFJKSLWDL-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN CCCCC[C@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC001620441455 1193768172 /nfs/dbraw/zinc/76/81/72/1193768172.db2.gz OOJXQSDCECPZEU-IRXDYDNUSA-N 0 3 307.482 3.429 20 30 DGEDHN C#C[C@@H]1CCCCN1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001620652300 1193787132 /nfs/dbraw/zinc/78/71/32/1193787132.db2.gz KNAGSPQTGMFOLK-CVEARBPZSA-N 0 3 311.347 3.097 20 30 DGEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000310218837 231112477 /nfs/dbraw/zinc/11/24/77/231112477.db2.gz WMPAWQDNYBZCMD-QRWLVFNGSA-N 0 3 323.415 3.450 20 30 DGEDHN CCn1nccc1C1CCN(CCOc2ccccc2C#N)CC1 ZINC000278779381 214395595 /nfs/dbraw/zinc/39/55/95/214395595.db2.gz DAIRTQWQUHCHRA-UHFFFAOYSA-N 0 3 324.428 3.033 20 30 DGEDHN CC[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccncc1 ZINC000331305990 529454683 /nfs/dbraw/zinc/45/46/83/529454683.db2.gz DXVWFJDLQPDDCI-HOTGVXAUSA-N 0 3 318.465 3.157 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)CCC#N)ccc2NC1=O ZINC000351336119 529475073 /nfs/dbraw/zinc/47/50/73/529475073.db2.gz YOMSFBSQZGOCKP-HUBLWGQQSA-N 0 3 301.390 3.139 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000353100542 529491741 /nfs/dbraw/zinc/49/17/41/529491741.db2.gz VATDULIIHVCQGK-INIZCTEOSA-N 0 3 323.824 3.159 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000341214207 529648715 /nfs/dbraw/zinc/64/87/15/529648715.db2.gz BUHRQEUDGYRQQF-QILLFSRXSA-N 0 3 301.434 3.170 20 30 DGEDHN COc1ccc([C@@H](CN2CCCC2)Nc2ccc(C#N)cn2)cc1 ZINC000272820983 210220422 /nfs/dbraw/zinc/22/04/22/210220422.db2.gz OQNVTVDULOFOLX-GOSISDBHSA-N 0 3 322.412 3.211 20 30 DGEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 ZINC000181519839 199310055 /nfs/dbraw/zinc/31/00/55/199310055.db2.gz LNHIEQQOIWWNTN-QWHCGFSZSA-N 0 3 313.426 3.340 20 30 DGEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000181541349 199314482 /nfs/dbraw/zinc/31/44/82/199314482.db2.gz KPLWKGFVFLKRLJ-CABCVRRESA-N 0 3 307.397 3.279 20 30 DGEDHN C[C@H](NCc1ccccc1OCCN(C)C)c1ccc(C#N)cc1 ZINC000181627112 199329426 /nfs/dbraw/zinc/32/94/26/199329426.db2.gz IWGBUMRKGIMLDW-INIZCTEOSA-N 0 3 323.440 3.349 20 30 DGEDHN N#Cc1ccc(OC2CCN(CCOC3CCC3)CC2)c(F)c1 ZINC000286695711 219115311 /nfs/dbraw/zinc/11/53/11/219115311.db2.gz AZTWGTYFVNOSSF-UHFFFAOYSA-N 0 3 318.392 3.110 20 30 DGEDHN CN(Cc1ccc(CC#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000343518252 529984611 /nfs/dbraw/zinc/98/46/11/529984611.db2.gz YMZQXAXIAUSJML-HXUWFJFHSA-N 0 3 306.409 3.498 20 30 DGEDHN CN(CCNC(=O)Nc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000065439382 432011919 /nfs/dbraw/zinc/01/19/19/432011919.db2.gz NCPQRIVAWZNDMT-UHFFFAOYSA-N 0 3 322.412 3.006 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000065476780 432012233 /nfs/dbraw/zinc/01/22/33/432012233.db2.gz ONFHPEPPLOYCQJ-QGZVFWFLSA-N 0 3 303.450 3.205 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(C1)CCCCC2 ZINC000129995057 432012600 /nfs/dbraw/zinc/01/26/00/432012600.db2.gz WMADNCNYSJVWDA-INIZCTEOSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2OC(C)C)CC1 ZINC000106035156 432019714 /nfs/dbraw/zinc/01/97/14/432019714.db2.gz AZUNVOITTXSZKZ-UHFFFAOYSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000106275057 432020884 /nfs/dbraw/zinc/02/08/84/432020884.db2.gz KYOLGQLHNSAIGB-KRWDZBQOSA-N 0 3 305.466 3.001 20 30 DGEDHN C[C@@H](NCCOc1ncccc1Cl)c1cccc(C#N)c1 ZINC000182016731 199374870 /nfs/dbraw/zinc/37/48/70/199374870.db2.gz REYIEESKVDSIGB-GFCCVEGCSA-N 0 3 301.777 3.336 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCCCNC2=O)cc1 ZINC000177877883 186197642 /nfs/dbraw/zinc/19/76/42/186197642.db2.gz SKHVJBQLAMUSIP-BBRMVZONSA-N 0 3 322.836 3.137 20 30 DGEDHN COc1ccc([C@@H](CNc2ccnc(C#N)c2)N2CCCC2)cc1 ZINC000287185884 219365822 /nfs/dbraw/zinc/36/58/22/219365822.db2.gz ZTJFWDOMHPUTCX-LJQANCHMSA-N 0 3 322.412 3.211 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175636358 186183291 /nfs/dbraw/zinc/18/32/91/186183291.db2.gz CGWQIEZQXXZLOB-JZXOWHBKSA-N 0 3 315.461 3.303 20 30 DGEDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268738708 186373688 /nfs/dbraw/zinc/37/36/88/186373688.db2.gz YXGFNQPPCGKOJK-HXUWFJFHSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000172619110 198125825 /nfs/dbraw/zinc/12/58/25/198125825.db2.gz UCUQIQDJIVOLFH-UHFFFAOYSA-N 0 3 300.324 3.331 20 30 DGEDHN CC(C)[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N1CCCCC1 ZINC000067291166 432028980 /nfs/dbraw/zinc/02/89/80/432028980.db2.gz RBAULMJLECCAMH-SFHVURJKSA-N 0 3 313.445 3.027 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NC)c1 ZINC000072959278 191257924 /nfs/dbraw/zinc/25/79/24/191257924.db2.gz HBCJUOAAPIWBTJ-UHFFFAOYSA-N 0 3 321.424 3.330 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]3C3CCC3)o2)cc1 ZINC000173641673 198235372 /nfs/dbraw/zinc/23/53/72/198235372.db2.gz LBEXZRYSNHEHPK-INIZCTEOSA-N 0 3 308.385 3.373 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1ccccc1Cl ZINC000174242122 198309811 /nfs/dbraw/zinc/30/98/11/198309811.db2.gz OGENMXKVCORPER-INIZCTEOSA-N 0 3 303.793 3.197 20 30 DGEDHN Cc1cc(F)ccc1N1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000174406209 198330500 /nfs/dbraw/zinc/33/05/00/198330500.db2.gz STVZXQZIXJGDCP-HNNXBMFYSA-N 0 3 313.376 3.357 20 30 DGEDHN COCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000174429951 198333579 /nfs/dbraw/zinc/33/35/79/198333579.db2.gz BCEXMQPZABLRTQ-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN N#CC1(CCCN2CCS[C@@H]3CCCC[C@H]32)CCOCC1 ZINC000374099987 283044202 /nfs/dbraw/zinc/04/42/02/283044202.db2.gz QJTMDRRXHQMUPZ-HZPDHXFCSA-N 0 3 308.491 3.447 20 30 DGEDHN N#CC1(CCN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000411641105 283044979 /nfs/dbraw/zinc/04/49/79/283044979.db2.gz WTDWCDKWWDDJJN-ZIAGYGMSSA-N 0 3 318.383 3.486 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000297613926 283066803 /nfs/dbraw/zinc/06/68/03/283066803.db2.gz KVBOZIKNQYKSKL-JKSUJKDBSA-N 0 3 306.413 3.049 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123798023 283138719 /nfs/dbraw/zinc/13/87/19/283138719.db2.gz SCRPIEXOEDUGCI-SJORKVTESA-N 0 3 302.443 3.045 20 30 DGEDHN C=CCN1CCC(Nc2ccnc(Cc3ccccc3)n2)CC1 ZINC000166485800 432061037 /nfs/dbraw/zinc/06/10/37/432061037.db2.gz JRCLKPRYEALXHI-UHFFFAOYSA-N 0 3 308.429 3.130 20 30 DGEDHN Cc1cccc(C(C)(C)NC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000179594341 432064076 /nfs/dbraw/zinc/06/40/76/432064076.db2.gz ZDUTYIKODABZLI-GOSISDBHSA-N 0 3 324.424 3.131 20 30 DGEDHN N#Cc1cnc2ccccc2c1N1CC[C@@H](N2CCCCC2)C1 ZINC000266201289 283243035 /nfs/dbraw/zinc/24/30/35/283243035.db2.gz CZCYHPIICHHOPT-MRXNPFEDSA-N 0 3 306.413 3.171 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(CCN2CCC(C#N)CC2)CC1 ZINC000179734422 432069049 /nfs/dbraw/zinc/06/90/49/432069049.db2.gz ZFKZSHODQXASPR-UHFFFAOYSA-N 0 3 321.465 3.259 20 30 DGEDHN Cc1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1[O-] ZINC000179752765 432070619 /nfs/dbraw/zinc/07/06/19/432070619.db2.gz PUVVTFVGJIDIEF-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN Cc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1[O-] ZINC000179752765 432070621 /nfs/dbraw/zinc/07/06/21/432070621.db2.gz PUVVTFVGJIDIEF-UHFFFAOYSA-N 0 3 321.424 3.285 20 30 DGEDHN Cn1cc(CNCc2ccsc2)c(-c2ccc(C#N)cc2)n1 ZINC000180051192 432077344 /nfs/dbraw/zinc/07/73/44/432077344.db2.gz KLWHKQHLQXMHPV-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN CNC(=O)OC[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000496622179 283379074 /nfs/dbraw/zinc/37/90/74/283379074.db2.gz IXEPQJAWBFIPCX-OAHLLOKOSA-N 0 3 307.438 3.061 20 30 DGEDHN Cc1n[nH]cc1[C@H](C)NCCSCc1ccccc1C#N ZINC000180274157 432082451 /nfs/dbraw/zinc/08/24/51/432082451.db2.gz YVIXVMZAQHBUAV-LBPRGKRZSA-N 0 3 300.431 3.174 20 30 DGEDHN C=CCN1CCC(Nc2cccc(Br)c2C#N)CC1 ZINC000276377171 212838965 /nfs/dbraw/zinc/83/89/65/212838965.db2.gz CLCKGBVGNOLZIL-UHFFFAOYSA-N 0 3 320.234 3.383 20 30 DGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186885856 200026839 /nfs/dbraw/zinc/02/68/39/200026839.db2.gz YBBWCDQAVALGKK-UHFFFAOYSA-N 0 3 319.408 3.099 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000237576280 202290366 /nfs/dbraw/zinc/29/03/66/202290366.db2.gz CUDYPUIKPIIQKX-KXBFYZLASA-N 0 3 324.424 3.204 20 30 DGEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134884129 432088102 /nfs/dbraw/zinc/08/81/02/432088102.db2.gz BGRSMVCDEQPTIM-DNVCBOLYSA-N 0 3 313.420 3.146 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000424075251 237879057 /nfs/dbraw/zinc/87/90/57/237879057.db2.gz IZKDOKGVGMXMGB-SFHVURJKSA-N 0 3 307.397 3.241 20 30 DGEDHN Cc1cc(C)cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428790943 238031185 /nfs/dbraw/zinc/03/11/85/238031185.db2.gz YRZAUXRWOHDHCU-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN COCCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1OC ZINC000430757546 238085788 /nfs/dbraw/zinc/08/57/88/238085788.db2.gz WJKOIYPWKRGRNY-CQSZACIVSA-N 0 3 318.417 3.065 20 30 DGEDHN CN(C)[C@H](CC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000431900897 238113887 /nfs/dbraw/zinc/11/38/87/238113887.db2.gz VTFGCOGFLGCZAV-LJQANCHMSA-N 0 3 321.424 3.210 20 30 DGEDHN C[C@@H](NCCC(=O)OCc1ccccc1)c1ccc(C#N)cc1 ZINC000272056749 209425482 /nfs/dbraw/zinc/42/54/82/209425482.db2.gz VQXIWBUKURCJQJ-OAHLLOKOSA-N 0 3 308.381 3.342 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2sccc2C1 ZINC000433219360 238151498 /nfs/dbraw/zinc/15/14/98/238151498.db2.gz LOKORTNPXKHSFV-HNNXBMFYSA-N 0 3 310.422 3.405 20 30 DGEDHN CO[C@]1(C)C[C@H](NC(=O)C(C#N)CCc2ccccc2)C1(C)C ZINC000433369396 238157411 /nfs/dbraw/zinc/15/74/11/238157411.db2.gz WOEGPRQFTVAIKA-JTDSTZFVSA-N 0 3 314.429 3.079 20 30 DGEDHN C#CCCN1CCN(CCCOc2cccc3ccccc32)CC1 ZINC000272001194 209374224 /nfs/dbraw/zinc/37/42/24/209374224.db2.gz HSOWYBDTDQGFEJ-UHFFFAOYSA-N 0 3 322.452 3.250 20 30 DGEDHN CCn1nccc1C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000434792302 238246213 /nfs/dbraw/zinc/24/62/13/238246213.db2.gz GRSDKFFETLKPOA-UHFFFAOYSA-N 0 3 308.429 3.349 20 30 DGEDHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271910764 209317124 /nfs/dbraw/zinc/31/71/24/209317124.db2.gz ARHQRNDFUCVLDQ-SWLSCSKDSA-N 0 3 304.365 3.034 20 30 DGEDHN COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1cccc(C#N)c1)C2 ZINC000271895487 209305754 /nfs/dbraw/zinc/30/57/54/209305754.db2.gz TZUGPVWAJUDVQF-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN COCCCOc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442777737 239122601 /nfs/dbraw/zinc/12/26/01/239122601.db2.gz AAPYFZBKIOTGFC-RDJZCZTQSA-N 0 3 302.418 3.192 20 30 DGEDHN C=CCN1CC[C@@H](N(C)Cc2cccc3c(OC)cccc23)C1=O ZINC000449302769 240120416 /nfs/dbraw/zinc/12/04/16/240120416.db2.gz KVYDCCFDZDRZLQ-GOSISDBHSA-N 0 3 324.424 3.067 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c(C#N)c1C ZINC000246186066 432104674 /nfs/dbraw/zinc/10/46/74/432104674.db2.gz HSSZYLMSRIXHAC-BXUZGUMPSA-N 0 3 303.406 3.217 20 30 DGEDHN C=CCOc1cccc(CNC[C@H](O)Cc2cccc(F)c2)c1 ZINC000449364861 240159431 /nfs/dbraw/zinc/15/94/31/240159431.db2.gz RRAFOZDFQAXREP-GOSISDBHSA-N 0 3 315.388 3.084 20 30 DGEDHN C=CCC1(NCc2cn(Cc3cccnc3)nn2)CCCCC1 ZINC000449576053 240299341 /nfs/dbraw/zinc/29/93/41/240299341.db2.gz PPTWDSMOFHNFFY-UHFFFAOYSA-N 0 3 311.433 3.090 20 30 DGEDHN CO[C@@H]([C@@H](C)NCc1cccc(OCCCC#N)c1)C1CC1 ZINC000449635078 240334163 /nfs/dbraw/zinc/33/41/63/240334163.db2.gz XFGHVIVJTWQQFK-KDOFPFPSSA-N 0 3 302.418 3.272 20 30 DGEDHN C[C@@H](CC(=O)N(C)C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412326 193053299 /nfs/dbraw/zinc/05/32/99/193053299.db2.gz RHUIMZQTZVDZSN-HNNXBMFYSA-N 0 3 321.424 3.182 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451352733 241090924 /nfs/dbraw/zinc/09/09/24/241090924.db2.gz IDUIWGPERQTOKX-BONVTDFDSA-N 0 3 310.800 3.211 20 30 DGEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C1(C)C ZINC000451502753 241148560 /nfs/dbraw/zinc/14/85/60/241148560.db2.gz POBZNSXEYXJPAW-KGLIPLIRSA-N 0 3 310.344 3.063 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451507237 241150939 /nfs/dbraw/zinc/15/09/39/241150939.db2.gz VIRINNUBLKATIN-IAGOWNOFSA-N 0 3 302.418 3.249 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451591599 241182417 /nfs/dbraw/zinc/18/24/17/241182417.db2.gz AUDRMRKVCYUSOW-DLBZAZTESA-N 0 3 304.821 3.098 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000451697504 241212002 /nfs/dbraw/zinc/21/20/02/241212002.db2.gz IGNVEYQYLWBLPM-FMKPAKJESA-N 0 3 304.821 3.195 20 30 DGEDHN N#Cc1ccc([C@H](O)CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000268611675 432109758 /nfs/dbraw/zinc/10/97/58/432109758.db2.gz KWIXAMGDWULPDC-LJQANCHMSA-N 0 3 310.372 3.395 20 30 DGEDHN Cn1cccc1[C@H]1CCCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000268639148 432113079 /nfs/dbraw/zinc/11/30/79/432113079.db2.gz DFACWOORYTUGNO-MOPGFXCFSA-N 0 3 309.413 3.157 20 30 DGEDHN CO[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)CC1(C)C ZINC000456156181 242363615 /nfs/dbraw/zinc/36/36/15/242363615.db2.gz YGMQPSWEKDQNPS-IRXDYDNUSA-N 0 3 314.429 3.032 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCSC[C@H]1C1CC1 ZINC000456163968 242366262 /nfs/dbraw/zinc/36/62/62/242366262.db2.gz BZLOOZMDJAMBEC-IRXDYDNUSA-N 0 3 314.454 3.113 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)CC1 ZINC000458322094 243030899 /nfs/dbraw/zinc/03/08/99/243030899.db2.gz NXLADRSKOSJUNE-ROUUACIJSA-N 0 3 321.509 3.349 20 30 DGEDHN C=C(CC)CNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459084527 243246773 /nfs/dbraw/zinc/24/67/73/243246773.db2.gz UKBQJEGWOAQYCK-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(CC3CCC(F)(F)CC3)C2)nc1 ZINC000459494368 243388569 /nfs/dbraw/zinc/38/85/69/243388569.db2.gz RBVBGFWEJKSDTB-HNNXBMFYSA-N 0 3 321.371 3.232 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000268671920 432117907 /nfs/dbraw/zinc/11/79/07/432117907.db2.gz KKNVLZHSQIIICH-LPHOPBHVSA-N 0 3 310.372 3.220 20 30 DGEDHN CCCCC1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115598259 284114916 /nfs/dbraw/zinc/11/49/16/284114916.db2.gz CSWOOJYQMXPVTB-IUPXNIOVSA-N 0 3 313.445 3.423 20 30 DGEDHN CC(C#N)C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000469115289 244085738 /nfs/dbraw/zinc/08/57/38/244085738.db2.gz XFNXSFCHFGAATR-NSHDSACASA-N 0 3 321.218 3.494 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000470870557 244192496 /nfs/dbraw/zinc/19/24/96/244192496.db2.gz YZDTUINVBSOMCQ-CQSZACIVSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCN(CC=C)[C@H](C[NH2+]Cc1cc([O-])cc(F)c1)C(C)C ZINC000472053049 244278239 /nfs/dbraw/zinc/27/82/39/244278239.db2.gz NTLNOMDEQCNFMG-GOSISDBHSA-N 0 3 306.425 3.320 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000472568700 244308882 /nfs/dbraw/zinc/30/88/82/244308882.db2.gz XCHYNJHCKFQWSL-MAUKXSAKSA-N 0 3 322.880 3.346 20 30 DGEDHN CC(C)CC[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000472809474 244315747 /nfs/dbraw/zinc/31/57/47/244315747.db2.gz KSIMATCLEADIDT-AEFFLSMTSA-N 0 3 307.482 3.332 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C#N)s1)C(C)C ZINC000487632362 245084530 /nfs/dbraw/zinc/08/45/30/245084530.db2.gz BIZXUJLMIIOSFG-OAHLLOKOSA-N 0 3 317.458 3.048 20 30 DGEDHN Cc1cc(CN2CCC[C@H](Cc3nccn3C)C2)ccc1C#N ZINC000488149101 245154208 /nfs/dbraw/zinc/15/42/08/245154208.db2.gz KTJPMCKURAFVSB-MRXNPFEDSA-N 0 3 308.429 3.055 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1CC1CCCCC1 ZINC000488403711 245186860 /nfs/dbraw/zinc/18/68/60/245186860.db2.gz NDBFXKBKSIEDJS-MJGOQNOKSA-N 0 3 319.493 3.476 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccccc2)CC1 ZINC000264421437 203914292 /nfs/dbraw/zinc/91/42/92/203914292.db2.gz RHYYYPOJWVZTEZ-KRWDZBQOSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCn1cccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000488718628 245221571 /nfs/dbraw/zinc/22/15/71/245221571.db2.gz XLUWWIDKTGWLMK-ZDUSSCGKSA-N 0 3 302.337 3.107 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000489836888 245352058 /nfs/dbraw/zinc/35/20/58/245352058.db2.gz BOJIDXNNBNLJSR-CVEARBPZSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000490253909 245391972 /nfs/dbraw/zinc/39/19/72/245391972.db2.gz SHYHIJLNSRCMDP-BPQIPLTHSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000266160852 205148316 /nfs/dbraw/zinc/14/83/16/205148316.db2.gz SVIUTXJACDMUGK-ZDUSSCGKSA-N 0 3 306.837 3.210 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(C)C)c(C)c2)CC1 ZINC000266196320 205175418 /nfs/dbraw/zinc/17/54/18/205175418.db2.gz VUSXLCUHUUHKOB-UHFFFAOYSA-N 0 3 314.429 3.066 20 30 DGEDHN N#Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000266270613 205228781 /nfs/dbraw/zinc/22/87/81/205228781.db2.gz RCAOSKFMGFIBHU-UHFFFAOYSA-N 0 3 321.424 3.127 20 30 DGEDHN C=CCc1cc(CN2CCC[C@](CC)(CO)C2)cc(OC)c1O ZINC000190218385 432132971 /nfs/dbraw/zinc/13/29/71/432132971.db2.gz FJUPSOASUVOLKP-IBGZPJMESA-N 0 3 319.445 3.114 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(Br)c(F)c1 ZINC000494274498 246129857 /nfs/dbraw/zinc/12/98/57/246129857.db2.gz QLZHLKKHKJZYQM-GFCCVEGCSA-N 0 3 316.214 3.347 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000494992981 246221329 /nfs/dbraw/zinc/22/13/29/246221329.db2.gz BOAVURNDAGZTFB-WMZOPIPTSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000135163723 335024543 /nfs/dbraw/zinc/02/45/43/335024543.db2.gz OFHSVBKOASLNQY-SFHVURJKSA-N 0 3 301.434 3.017 20 30 DGEDHN CCNC(=O)OC[C@H]1CCCCN1CCCCC(C)(C)C#N ZINC000495615833 246287343 /nfs/dbraw/zinc/28/73/43/246287343.db2.gz JDDUYVZBOOZIMO-OAHLLOKOSA-N 0 3 309.454 3.307 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccccc1C)C(C)C ZINC000496014434 246341967 /nfs/dbraw/zinc/34/19/67/246341967.db2.gz PBGWPRIEYCTFAN-IBGZPJMESA-N 0 3 314.473 3.352 20 30 DGEDHN CC[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000496219078 246368443 /nfs/dbraw/zinc/36/84/43/246368443.db2.gz PVRCJVAPSGPKIO-CQSZACIVSA-N 0 3 321.396 3.090 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCCNC(=O)OC(C)(C)C ZINC000496141862 246359103 /nfs/dbraw/zinc/35/91/03/246359103.db2.gz PCLWUMFULLIYGO-AWEZNQCLSA-N 0 3 317.433 3.466 20 30 DGEDHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000496157706 246359946 /nfs/dbraw/zinc/35/99/46/246359946.db2.gz IXYSEWRLQJMVMZ-KGLIPLIRSA-N 0 3 307.438 3.058 20 30 DGEDHN CN(CC1(C#N)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496461335 246398313 /nfs/dbraw/zinc/39/83/13/246398313.db2.gz VDUCAISAXMFCTF-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(F)c1 ZINC000246552268 432144442 /nfs/dbraw/zinc/14/44/42/432144442.db2.gz KKVVMJKTTJOJOS-LPHOPBHVSA-N 0 3 313.420 3.146 20 30 DGEDHN C[C@@H](c1cccc(O)c1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000109781127 194284454 /nfs/dbraw/zinc/28/44/54/194284454.db2.gz KEZZQILKQMJKTB-AWEZNQCLSA-N 0 3 323.396 3.285 20 30 DGEDHN COc1ccccc1O[C@H](C)CNCc1ccc(C#N)c(C)c1 ZINC000444005272 532951219 /nfs/dbraw/zinc/95/12/19/532951219.db2.gz QCNCYJYOTFRXKH-OAHLLOKOSA-N 0 3 310.397 3.432 20 30 DGEDHN CSc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000337226754 533001182 /nfs/dbraw/zinc/00/11/82/533001182.db2.gz RCWUZQYDNIEYJG-CHWSQXEVSA-N 0 3 317.458 3.010 20 30 DGEDHN Cn1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000289254413 252857703 /nfs/dbraw/zinc/85/77/03/252857703.db2.gz FIFXZGRZWJYLQJ-UHFFFAOYSA-N 0 3 313.376 3.079 20 30 DGEDHN COc1ccccc1[C@H](CN[C@@H]1CC[C@H](C#N)C1)OC(C)C ZINC000442839877 533014459 /nfs/dbraw/zinc/01/44/59/533014459.db2.gz YTADYBQXPQNEIL-DAYGRLMNSA-N 0 3 302.418 3.443 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(C)cc1CN(C)C)OCC ZINC000270062821 208120898 /nfs/dbraw/zinc/12/08/98/208120898.db2.gz PJGRYBDXOFIXIQ-QGZVFWFLSA-N 0 3 304.434 3.366 20 30 DGEDHN COCCNc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443988974 533031214 /nfs/dbraw/zinc/03/12/14/533031214.db2.gz QAVNXVXIRVLCHY-UHFFFAOYSA-N 0 3 309.413 3.215 20 30 DGEDHN COc1cc(N[C@H]2CCCN(CCCCC#N)C2)cc(OC)c1 ZINC000155194893 533040406 /nfs/dbraw/zinc/04/04/06/533040406.db2.gz CJXJWBBETBHQHC-HNNXBMFYSA-N 0 3 317.433 3.274 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337374630 253099920 /nfs/dbraw/zinc/09/99/20/253099920.db2.gz APRZNEOWJWWJLC-KBPBESRZSA-N 0 3 310.344 3.207 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337374633 253099943 /nfs/dbraw/zinc/09/99/43/253099943.db2.gz APRZNEOWJWWJLC-ZIAGYGMSSA-N 0 3 310.344 3.207 20 30 DGEDHN N#Cc1ccc(CNCCOc2cccc(C(F)(F)F)n2)cc1 ZINC000270235696 208298330 /nfs/dbraw/zinc/29/83/30/208298330.db2.gz BJFCGIGYXYKLTD-UHFFFAOYSA-N 0 3 321.302 3.141 20 30 DGEDHN C=CCC[C@H](NC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000159088037 197325715 /nfs/dbraw/zinc/32/57/15/197325715.db2.gz KVSWIOKJGYGAPA-KRWDZBQOSA-N 0 3 301.434 3.087 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435754436 533110789 /nfs/dbraw/zinc/11/07/89/533110789.db2.gz WWGLXMXAGJQUPF-IUCAKERBSA-N 0 3 317.336 3.028 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000338316776 533110924 /nfs/dbraw/zinc/11/09/24/533110924.db2.gz RGMIUUSWTHUBAE-QWHCGFSZSA-N 0 3 306.793 3.117 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\C(C)(C)C ZINC000255448529 285156645 /nfs/dbraw/zinc/15/66/45/285156645.db2.gz PEYONYDXPAAOTM-KHPPLWFESA-N 0 3 313.445 3.051 20 30 DGEDHN COCC1(C#N)CCN(C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000428979902 533111983 /nfs/dbraw/zinc/11/19/83/533111983.db2.gz SVAUWXAZPMQDGY-SFHVURJKSA-N 0 3 316.445 3.405 20 30 DGEDHN CC(C#N)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000431523139 533114032 /nfs/dbraw/zinc/11/40/32/533114032.db2.gz ZJFODJXAEJKDDZ-ZETCQYMHSA-N 0 3 321.591 3.301 20 30 DGEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000342573496 254011016 /nfs/dbraw/zinc/01/10/16/254011016.db2.gz VDWULVBKCQGIJQ-CQSZACIVSA-N 0 3 324.371 3.408 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1nccc(C#N)c1Cl ZINC000342694431 254034218 /nfs/dbraw/zinc/03/42/18/254034218.db2.gz VPCZFYZDOJRBCN-UHFFFAOYSA-N 0 3 314.820 3.175 20 30 DGEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2C2CCC2)cc1Cl ZINC000343013481 254087027 /nfs/dbraw/zinc/08/70/27/254087027.db2.gz ZFXIFOQBTJLTLI-MRXNPFEDSA-N 0 3 317.820 3.415 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CCNCc3ccc(C#N)o3)cc2)n1 ZINC000343280406 254123557 /nfs/dbraw/zinc/12/35/57/254123557.db2.gz RXFOPOIEAOYACL-UHFFFAOYSA-N 0 3 320.396 3.286 20 30 DGEDHN Cc1c(Cl)cnc(N[C@@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000343538376 254157758 /nfs/dbraw/zinc/15/77/58/254157758.db2.gz VIRJHLQHKYUEDA-NEPJUHHUSA-N 0 3 306.841 3.447 20 30 DGEDHN Cc1c(Cl)cnc(N[C@@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000343538378 254158246 /nfs/dbraw/zinc/15/82/46/254158246.db2.gz VIRJHLQHKYUEDA-RYUDHWBXSA-N 0 3 306.841 3.447 20 30 DGEDHN CN(C[C@H]1CC=CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000344077728 254221902 /nfs/dbraw/zinc/22/19/02/254221902.db2.gz WXJTXJJROITBCD-PKOBYXMFSA-N 0 3 323.440 3.342 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](C4CC4)C3)C2=O)cc1 ZINC000344084636 254223032 /nfs/dbraw/zinc/22/30/32/254223032.db2.gz GKBJYTWNJJBONK-IEBWSBKVSA-N 0 3 323.440 3.176 20 30 DGEDHN CN(C)c1ccccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000344132716 254229865 /nfs/dbraw/zinc/22/98/65/254229865.db2.gz WWLPQOMCBKKYHY-UHFFFAOYSA-N 0 3 323.440 3.273 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000344454348 254272576 /nfs/dbraw/zinc/27/25/76/254272576.db2.gz VVILPWJCKDXMKB-KRWDZBQOSA-N 0 3 309.388 3.456 20 30 DGEDHN N#Cc1ccc(CNCCc2nc(-c3ccncc3)cs2)o1 ZINC000344555794 254282581 /nfs/dbraw/zinc/28/25/81/254282581.db2.gz SJRDQEPXBDZSCK-UHFFFAOYSA-N 0 3 310.382 3.002 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000271583685 209033949 /nfs/dbraw/zinc/03/39/49/209033949.db2.gz VRVPBHCWSBWCGB-YVEFUNNKSA-N 0 3 316.426 3.494 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C1CCCC1 ZINC000459792813 285321661 /nfs/dbraw/zinc/32/16/61/285321661.db2.gz JVYXXKFJBFORHZ-RBUKOAKNSA-N 0 3 301.405 3.050 20 30 DGEDHN Cn1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)cc1C#N ZINC000289958129 221343463 /nfs/dbraw/zinc/34/34/63/221343463.db2.gz XZFQHDUAQZAXLW-LJQANCHMSA-N 0 3 321.424 3.081 20 30 DGEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000295014986 224379781 /nfs/dbraw/zinc/37/97/81/224379781.db2.gz PTPIVJXTWGTRIG-IBGZPJMESA-N 0 3 306.409 3.395 20 30 DGEDHN C#C[C@H](CC)NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000491815064 533306161 /nfs/dbraw/zinc/30/61/61/533306161.db2.gz TZYZYZMYLLUWOG-GOSISDBHSA-N 0 3 316.408 3.436 20 30 DGEDHN C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCC1(CC#N)CC1 ZINC000430743893 533447101 /nfs/dbraw/zinc/44/71/01/533447101.db2.gz SMBIHIYGFDYGDJ-LBPRGKRZSA-N 0 3 305.809 3.341 20 30 DGEDHN COc1ccc(CCN(Cc2ccccc2)C(=O)C(C)C#N)cc1 ZINC000345993986 533477511 /nfs/dbraw/zinc/47/75/11/533477511.db2.gz HTFRCWXRCBZDKG-MRXNPFEDSA-N 0 3 322.408 3.426 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC(C(C)C)CC1 ZINC000441456395 533503744 /nfs/dbraw/zinc/50/37/44/533503744.db2.gz ZRCMVUFXVSJKHU-UHFFFAOYSA-N 0 3 302.418 3.314 20 30 DGEDHN C[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000181622097 533548407 /nfs/dbraw/zinc/54/84/07/533548407.db2.gz RPXAVWTYOMSTEO-RHSMWYFYSA-N 0 3 308.381 3.243 20 30 DGEDHN COc1cc(C)c(CN(C)CCCSCC#N)cc1OC ZINC000173857854 533568559 /nfs/dbraw/zinc/56/85/59/533568559.db2.gz GJXNVXIVCVQTKI-UHFFFAOYSA-N 0 3 308.447 3.091 20 30 DGEDHN COc1ccc(OC)c([C@H](C)NCCc2ccc(C#N)cc2)c1 ZINC000595059012 400094435 /nfs/dbraw/zinc/09/44/35/400094435.db2.gz FGDIYPHBLCVUGP-AWEZNQCLSA-N 0 3 310.397 3.469 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(C#N)c(F)c1 ZINC000595060076 400095195 /nfs/dbraw/zinc/09/51/95/400095195.db2.gz LGYDBRBKTLWVNM-SGVRJHEMSA-N 0 3 308.422 3.038 20 30 DGEDHN CNCc1cccc(NC(=O)NCC2(C#N)CCCCC2)c1 ZINC000595236214 400113018 /nfs/dbraw/zinc/11/30/18/400113018.db2.gz KZXIDHWYTMWPKE-UHFFFAOYSA-N 0 3 300.406 3.002 20 30 DGEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000090883588 400081097 /nfs/dbraw/zinc/08/10/97/400081097.db2.gz BBIDKNQWRBPJNC-CYBMUJFWSA-N 0 3 302.418 3.160 20 30 DGEDHN C[C@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CCN(C2CC2)C1 ZINC000595508206 400171944 /nfs/dbraw/zinc/17/19/44/400171944.db2.gz VMOLUKJBCOLLAX-DYVFJYSZSA-N 0 3 303.837 3.321 20 30 DGEDHN CC(C)[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000609631961 400182663 /nfs/dbraw/zinc/18/26/63/400182663.db2.gz ZDHLJLOGRBBJKP-INIZCTEOSA-N 0 3 305.466 3.087 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000609631690 400182810 /nfs/dbraw/zinc/18/28/10/400182810.db2.gz OFFLJSBHZKBKSC-JLSDUUJJSA-N 0 3 311.429 3.397 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](OC)C1CCCC1 ZINC000595296826 400122438 /nfs/dbraw/zinc/12/24/38/400122438.db2.gz LNMUGECVEWQTSK-IBGZPJMESA-N 0 3 316.445 3.212 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000066854602 400126034 /nfs/dbraw/zinc/12/60/34/400126034.db2.gz LAHFICTYUJZOFD-GPMSIDNRSA-N 0 3 315.461 3.165 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000066854605 400126199 /nfs/dbraw/zinc/12/61/99/400126199.db2.gz LAHFICTYUJZOFD-GJYPPUQNSA-N 0 3 315.461 3.165 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(O[C@H](C)CC)c2)CC1 ZINC000066922521 400129451 /nfs/dbraw/zinc/12/94/51/400129451.db2.gz ACSQTPILGVEXIN-OAHLLOKOSA-N 0 3 314.429 3.148 20 30 DGEDHN N#Cc1cc(Br)ccc1CNC1(CO)CCCCC1 ZINC000311612045 400134721 /nfs/dbraw/zinc/13/47/21/400134721.db2.gz JOKXUHKUXPHFEI-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000585756176 400138109 /nfs/dbraw/zinc/13/81/09/400138109.db2.gz WUVMPKHVSUQPNA-OAQYLSRUSA-N 0 3 319.452 3.225 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000067205626 400152566 /nfs/dbraw/zinc/15/25/66/400152566.db2.gz JGIXECITWQWNLN-SFHVURJKSA-N 0 3 312.457 3.235 20 30 DGEDHN CCN(CC)[C@H](CNc1nnc(C)c(C)c1C#N)c1ccco1 ZINC000067383240 400167011 /nfs/dbraw/zinc/16/70/11/400167011.db2.gz XYFSHOQWHLOOAO-OAHLLOKOSA-N 0 3 313.405 3.053 20 30 DGEDHN COC(=O)c1cccc(CNc2cccc(CN(C)C)c2)c1C#N ZINC000600848794 400168418 /nfs/dbraw/zinc/16/84/18/400168418.db2.gz KKNXXHZJFIPYTP-UHFFFAOYSA-N 0 3 323.396 3.019 20 30 DGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000595660026 400221746 /nfs/dbraw/zinc/22/17/46/400221746.db2.gz QJXDXIVGQVONMZ-HOTGVXAUSA-N 0 3 303.450 3.006 20 30 DGEDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(C#N)c1 ZINC000026299324 400255486 /nfs/dbraw/zinc/25/54/86/400255486.db2.gz XEWSNKAUJYLMSV-OAHLLOKOSA-N 0 3 317.396 3.332 20 30 DGEDHN C[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000595705202 400236484 /nfs/dbraw/zinc/23/64/84/400236484.db2.gz DSYOCHOVJHWUNW-IQUTYRLHSA-N 0 3 319.408 3.203 20 30 DGEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1-n1cncn1 ZINC000610344691 400244471 /nfs/dbraw/zinc/24/44/71/400244471.db2.gz FXFCCYBYNCOITO-HNNXBMFYSA-N 0 3 317.396 3.298 20 30 DGEDHN C[C@@H](O)CCN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093481710 400247391 /nfs/dbraw/zinc/24/73/91/400247391.db2.gz HDRSEHGMSAUXMJ-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN CC1(C)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000595751332 400249618 /nfs/dbraw/zinc/24/96/18/400249618.db2.gz UPPPFVFBRTVCCR-INIZCTEOSA-N 0 3 313.445 3.233 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](OCc2ccncc2)C1 ZINC000588206816 400200903 /nfs/dbraw/zinc/20/09/03/400200903.db2.gz JOEBLZJJBFWJCT-IBGZPJMESA-N 0 3 307.397 3.053 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccnc1 ZINC000092748004 400201953 /nfs/dbraw/zinc/20/19/53/400201953.db2.gz BJNPOBJLXPDXRD-YOEHRIQHSA-N 0 3 324.403 3.412 20 30 DGEDHN N#CC[C@H]1CCCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000595611984 400204512 /nfs/dbraw/zinc/20/45/12/400204512.db2.gz QXRXVQQYKZDWTK-OAHLLOKOSA-N 0 3 310.401 3.295 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)CCCCCC#N)N(C)C)cc1 ZINC000588250381 400205415 /nfs/dbraw/zinc/20/54/15/400205415.db2.gz IIRPPBAOFXHERB-SFHVURJKSA-N 0 3 315.461 3.442 20 30 DGEDHN COCCN(CCCSCC#N)Cc1ccc(C)cc1C ZINC000610409636 400254525 /nfs/dbraw/zinc/25/45/25/400254525.db2.gz FWAGWXKCPBUABI-UHFFFAOYSA-N 0 3 306.475 3.399 20 30 DGEDHN CN(C)CCOc1ccc(NC(=O)CCCCCC#N)cc1 ZINC000588302854 400209230 /nfs/dbraw/zinc/20/92/30/400209230.db2.gz QEHVTNOZOGSRFD-UHFFFAOYSA-N 0 3 303.406 3.040 20 30 DGEDHN Cc1c(F)cccc1NC(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595620016 400209804 /nfs/dbraw/zinc/20/98/04/400209804.db2.gz JPPJKFANFFSHSA-CQSZACIVSA-N 0 3 303.381 3.088 20 30 DGEDHN C[C@H](NCC(=O)Nc1sccc1C#N)C1CCC(F)CC1 ZINC000595819791 400269475 /nfs/dbraw/zinc/26/94/75/400269475.db2.gz PVXVJPRDSKBKDZ-ZBOXLXRLSA-N 0 3 309.410 3.065 20 30 DGEDHN CC(C)CC1(NCC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000595829948 400273035 /nfs/dbraw/zinc/27/30/35/400273035.db2.gz BHBJZDIYRKLWSL-UHFFFAOYSA-N 0 3 305.809 3.318 20 30 DGEDHN CN(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1cccc(F)c1 ZINC000068659148 400277064 /nfs/dbraw/zinc/27/70/64/400277064.db2.gz HEBQVFDNOWOQEO-HNNXBMFYSA-N 0 3 318.783 3.461 20 30 DGEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1ccccc1 ZINC000595856945 400281929 /nfs/dbraw/zinc/28/19/29/400281929.db2.gz GYVCHTBUGGYQJH-ZNXRZULTSA-N 0 3 311.429 3.196 20 30 DGEDHN CCCCC[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000595872443 400283589 /nfs/dbraw/zinc/28/35/89/400283589.db2.gz TXJBQERMGHXPAB-KRWDZBQOSA-N 0 3 318.465 3.077 20 30 DGEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@H](C2CCCCC2)C1)C1CC1 ZINC000595877884 400285389 /nfs/dbraw/zinc/28/53/89/400285389.db2.gz LDYIDEFFRCXXPM-LPHOPBHVSA-N 0 3 317.477 3.087 20 30 DGEDHN CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H](O)C(F)(F)F ZINC000601301303 400286416 /nfs/dbraw/zinc/28/64/16/400286416.db2.gz XNGONIJUMNRDCN-KKUMJFAQSA-N 0 3 312.335 3.083 20 30 DGEDHN CC(C)O[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000404697921 400297119 /nfs/dbraw/zinc/29/71/19/400297119.db2.gz MGYQWJJKLAKJLY-SFHVURJKSA-N 0 3 302.418 3.217 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000069046304 400307720 /nfs/dbraw/zinc/30/77/20/400307720.db2.gz OSIAANLKPFFYTC-LJQANCHMSA-N 0 3 324.468 3.261 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H](CNCc1cccc(C#N)c1)C1CCC1 ZINC000596062531 400308013 /nfs/dbraw/zinc/30/80/13/400308013.db2.gz HRWQYLIHSXYHMD-KRWDZBQOSA-N 0 3 314.429 3.406 20 30 DGEDHN C[C@H](CNc1nc2ncccc2cc1C#N)N1CCC[C@@H](C)C1 ZINC000596079087 400311131 /nfs/dbraw/zinc/31/11/31/400311131.db2.gz YGVVUKHMQLSHEJ-ZIAGYGMSSA-N 0 3 309.417 3.034 20 30 DGEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1nc2ncccc2cc1C#N ZINC000596086201 400312961 /nfs/dbraw/zinc/31/29/61/400312961.db2.gz VUSNHHGEMXALHB-KBPBESRZSA-N 0 3 309.417 3.034 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(C)cc2)CC1 ZINC000106038096 400325268 /nfs/dbraw/zinc/32/52/68/400325268.db2.gz SALRSFCNVJGTNY-UHFFFAOYSA-N 0 3 300.446 3.084 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1nc2ncccc2cc1C#N ZINC000596086202 400313474 /nfs/dbraw/zinc/31/34/74/400313474.db2.gz VUSNHHGEMXALHB-KGLIPLIRSA-N 0 3 309.417 3.034 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000589752084 400326093 /nfs/dbraw/zinc/32/60/93/400326093.db2.gz WSBNPPPNNSUNHN-FQEVSTJZSA-N 0 3 306.409 3.003 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595789359 400261913 /nfs/dbraw/zinc/26/19/13/400261913.db2.gz MIQMSAQOJHPYDT-MJGOQNOKSA-N 0 3 314.429 3.218 20 30 DGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611388244 400390544 /nfs/dbraw/zinc/39/05/44/400390544.db2.gz MHZQWZMOGURGNR-AWEZNQCLSA-N 0 3 318.380 3.109 20 30 DGEDHN CC(C#N)C(=O)NCCc1ccccc1OCc1ccccc1 ZINC000601688073 400329536 /nfs/dbraw/zinc/32/95/36/400329536.db2.gz MUMVNMXMVBNRBU-HNNXBMFYSA-N 0 3 308.381 3.084 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1ccccn1 ZINC000578703462 400330698 /nfs/dbraw/zinc/33/06/98/400330698.db2.gz ODVZVZAGIDPSFD-MRXNPFEDSA-N 0 3 304.349 3.481 20 30 DGEDHN N#Cc1ccc(Br)c(CNC2(CO)CCCCC2)c1 ZINC000617214887 400331952 /nfs/dbraw/zinc/33/19/52/400331952.db2.gz OZXUJTUXSUEOQR-UHFFFAOYSA-N 0 3 323.234 3.106 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000069606928 400335520 /nfs/dbraw/zinc/33/55/20/400335520.db2.gz XTLZSJZCLUFPGK-LSDHHAIUSA-N 0 3 314.433 3.251 20 30 DGEDHN CN(C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611390670 400391344 /nfs/dbraw/zinc/39/13/44/400391344.db2.gz NMZNNLBKODGJEM-GOSISDBHSA-N 0 3 306.413 3.186 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CC2)CC1 ZINC000611177603 400355234 /nfs/dbraw/zinc/35/52/34/400355234.db2.gz OGEYXRLEVBZZCP-KOHRHEQBSA-N 0 3 317.477 3.182 20 30 DGEDHN CCCN(CCN1CCCCC1)c1nc2ncccc2cc1C#N ZINC000596231684 400355589 /nfs/dbraw/zinc/35/55/89/400355589.db2.gz MNVDHGJXTAFDLY-UHFFFAOYSA-N 0 3 323.444 3.204 20 30 DGEDHN C=CCC(C)(C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590192010 400367680 /nfs/dbraw/zinc/36/76/80/400367680.db2.gz UOMNTVDDPUUQOB-UHFFFAOYSA-N 0 3 306.362 3.058 20 30 DGEDHN N#Cc1nc(N2CCC[C@H]2CN2CCCCC2)sc1Cl ZINC000590583510 400397831 /nfs/dbraw/zinc/39/78/31/400397831.db2.gz YPZRKGSKXABEJZ-NSHDSACASA-N 0 3 310.854 3.123 20 30 DGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CCC(C)(C)C#N)CC1 ZINC000611462459 400404483 /nfs/dbraw/zinc/40/44/83/400404483.db2.gz BMANXRQNHYALKU-GOSISDBHSA-N 0 3 319.493 3.429 20 30 DGEDHN CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CC1 ZINC000072950321 400419326 /nfs/dbraw/zinc/41/93/26/400419326.db2.gz ZTZIBAOVCPQARJ-UHFFFAOYSA-N 0 3 305.809 3.272 20 30 DGEDHN CC(C)(C)CCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551942 400419987 /nfs/dbraw/zinc/41/99/87/400419987.db2.gz XSVGQAOGARWNRT-QGZVFWFLSA-N 0 3 303.425 3.444 20 30 DGEDHN COc1cccc2c1CN(CCCC1(C#N)CCOCC1)CC2 ZINC000590760149 400429741 /nfs/dbraw/zinc/42/97/41/400429741.db2.gz YIKJPDHXALYLSF-UHFFFAOYSA-N 0 3 314.429 3.154 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000596803212 400503062 /nfs/dbraw/zinc/50/30/62/400503062.db2.gz LSMIQQQXVRDHCB-CQSZACIVSA-N 0 3 314.433 3.109 20 30 DGEDHN C[C@@H](CCC#N)CN[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000602584549 400505011 /nfs/dbraw/zinc/50/50/11/400505011.db2.gz FVGQSTIETICZIL-NHYWBVRUSA-N 0 3 323.799 3.114 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CN)c1 ZINC000591309898 400506824 /nfs/dbraw/zinc/50/68/24/400506824.db2.gz NRLSHYOMUKBQME-UHFFFAOYSA-N 0 3 322.412 3.461 20 30 DGEDHN CC(C)CCN(CCC#N)C(=O)Nc1cccc2c1CCNC2 ZINC000591310425 400507966 /nfs/dbraw/zinc/50/79/66/400507966.db2.gz XSYNZMICVJYDQL-UHFFFAOYSA-N 0 3 314.433 3.126 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 ZINC000045031708 400509246 /nfs/dbraw/zinc/50/92/46/400509246.db2.gz PAKCCJGKXJNCJQ-UHFFFAOYSA-N 0 3 322.412 3.154 20 30 DGEDHN N#Cc1cnn2cc(-c3cc(CN4CCCC4)ccc3F)cnc12 ZINC000596630393 400463335 /nfs/dbraw/zinc/46/33/35/400463335.db2.gz QOQQBXLEBHLRFV-UHFFFAOYSA-N 0 3 321.359 3.003 20 30 DGEDHN C[C@@H](CCC#N)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000602462571 400467823 /nfs/dbraw/zinc/46/78/23/400467823.db2.gz HTAPBTFVQBGICF-FUHWJXTLSA-N 0 3 313.445 3.211 20 30 DGEDHN CN(C)[C@@H](CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000596641197 400469099 /nfs/dbraw/zinc/46/90/99/400469099.db2.gz NMDIIHNAYTXSOK-KRWDZBQOSA-N 0 3 313.445 3.270 20 30 DGEDHN COc1ccc(C[C@@H](C)CN(C)Cc2cccc(C#N)n2)cc1 ZINC000602480440 400474108 /nfs/dbraw/zinc/47/41/08/400474108.db2.gz WVBBZUPZGGQZPM-OAHLLOKOSA-N 0 3 309.413 3.272 20 30 DGEDHN CC(C)(CNC(=O)CC1(C#N)CCCCC1)N1CCCCC1 ZINC000596657411 400474305 /nfs/dbraw/zinc/47/43/05/400474305.db2.gz LCMVXGDBKDHRBA-UHFFFAOYSA-N 0 3 305.466 3.231 20 30 DGEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000602614538 400511908 /nfs/dbraw/zinc/51/19/08/400511908.db2.gz SOXKWDNLMHQBRX-CRAIPNDOSA-N 0 3 311.360 3.102 20 30 DGEDHN COc1ccc(NC(=O)CCN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000612118609 400495775 /nfs/dbraw/zinc/49/57/75/400495775.db2.gz MMWJXOYPPWJKOX-CQSZACIVSA-N 0 3 323.396 3.246 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618354094 400572940 /nfs/dbraw/zinc/57/29/40/400572940.db2.gz UFSCCSIPVYPEBZ-HKUYNNGSSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCN1CCC(Nc2ncccc2C(=O)OC(C)(C)C)CC1 ZINC000591911596 400577282 /nfs/dbraw/zinc/57/72/82/400577282.db2.gz JLNLVPTZAFINQV-UHFFFAOYSA-N 0 3 317.433 3.099 20 30 DGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602619738 400514389 /nfs/dbraw/zinc/51/43/89/400514389.db2.gz QBXBLXALVTZBMW-FQEVSTJZSA-N 0 3 322.456 3.199 20 30 DGEDHN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000596889639 400518236 /nfs/dbraw/zinc/51/82/36/400518236.db2.gz PKOSBLIGOLJSFU-WMZOPIPTSA-N 0 3 313.445 3.126 20 30 DGEDHN C=CCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602643169 400522842 /nfs/dbraw/zinc/52/28/42/400522842.db2.gz JTFDVWLXSREDOA-UHFFFAOYSA-N 0 3 305.197 3.475 20 30 DGEDHN CN(c1ncccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074775168 400534733 /nfs/dbraw/zinc/53/47/33/400534733.db2.gz WZUCTORAHHKFEN-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN CO[C@@](C)(CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602676443 400535676 /nfs/dbraw/zinc/53/56/76/400535676.db2.gz PXHQCVFIXDOBGG-AEFFLSMTSA-N 0 3 316.445 3.237 20 30 DGEDHN CCOc1ccc(C[C@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602689920 400539767 /nfs/dbraw/zinc/53/97/67/400539767.db2.gz ZGQBBAXRUXTYHM-HNNXBMFYSA-N 0 3 309.413 3.320 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc(C(=O)OCC)no1 ZINC000602695479 400542665 /nfs/dbraw/zinc/54/26/65/400542665.db2.gz WQOSNUNRMMTFOO-OAHLLOKOSA-N 0 3 314.385 3.128 20 30 DGEDHN COc1cc2c(cc1OC)[C@@H](N1CCC[C@H](CC#N)C1)CC2 ZINC000602710076 400547914 /nfs/dbraw/zinc/54/79/14/400547914.db2.gz XFWJXRXTQRQMQL-CJNGLKHVSA-N 0 3 300.402 3.317 20 30 DGEDHN N#CCSCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000074981294 400551681 /nfs/dbraw/zinc/55/16/81/400551681.db2.gz WBAQJNIDOLLWIE-OAHLLOKOSA-N 0 3 318.442 3.242 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765710 400553985 /nfs/dbraw/zinc/55/39/85/400553985.db2.gz BTETZIUCKBHOAW-ACJLOTCBSA-N 0 3 314.816 3.466 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCCC(=O)Nc1ccccc1 ZINC000591763837 400554556 /nfs/dbraw/zinc/55/45/56/400554556.db2.gz MKFANSYUTYZVAD-GOSISDBHSA-N 0 3 305.381 3.164 20 30 DGEDHN Cc1cnn([C@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000597131628 400566350 /nfs/dbraw/zinc/56/63/50/400566350.db2.gz CKSMEAWXIUIIKW-SFHVURJKSA-N 0 3 306.413 3.194 20 30 DGEDHN C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1cccc(C#N)c1 ZINC000075275978 400569309 /nfs/dbraw/zinc/56/93/09/400569309.db2.gz NBIKCTQGWLORNA-AWEZNQCLSA-N 0 3 307.397 3.111 20 30 DGEDHN COc1ccc(OCCCN(C)Cc2ccc(C#N)cc2)cc1 ZINC000046527610 400569671 /nfs/dbraw/zinc/56/96/71/400569671.db2.gz OTXCMMXRMSWJTK-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN CC(C)(C)c1cccc(OCCCN2CC[C@](O)(CC#N)C2)c1 ZINC000592151809 400614872 /nfs/dbraw/zinc/61/48/72/400614872.db2.gz RLSDIJQIUDMZTB-LJQANCHMSA-N 0 3 316.445 3.103 20 30 DGEDHN N#CC[C@@]1(O)CCN(CCCSc2ccccc2Cl)C1 ZINC000592151627 400615210 /nfs/dbraw/zinc/61/52/10/400615210.db2.gz PUMUFAJCNROEOQ-OAHLLOKOSA-N 0 3 310.850 3.173 20 30 DGEDHN COc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1OC(F)F ZINC000618562216 400623577 /nfs/dbraw/zinc/62/35/77/400623577.db2.gz NSLFOQVUYFLDTG-WCQYABFASA-N 0 3 310.344 3.469 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2c2ccccc2)CC1 ZINC000592302529 400634029 /nfs/dbraw/zinc/63/40/29/400634029.db2.gz WEEHTJPIAHUPIS-GOSISDBHSA-N 0 3 313.445 3.184 20 30 DGEDHN C=C[C@H](S[C@H]1CCCN(Cc2ccccc2)C1)C(=O)OC ZINC000592354457 400637435 /nfs/dbraw/zinc/63/74/35/400637435.db2.gz CESQHLZDQQGZBN-HOTGVXAUSA-N 0 3 305.443 3.112 20 30 DGEDHN C=C[C@@H](S[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)OC ZINC000592354459 400638046 /nfs/dbraw/zinc/63/80/46/400638046.db2.gz CESQHLZDQQGZBN-HZPDHXFCSA-N 0 3 305.443 3.112 20 30 DGEDHN COc1cc(CN2CC[C@@H](N(C)c3ccccc3)C2)ccc1C#N ZINC000597224634 400592485 /nfs/dbraw/zinc/59/24/85/400592485.db2.gz NAZHZQMNUURZEY-LJQANCHMSA-N 0 3 321.424 3.278 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)n1cc(CNC2CCCCC2)nn1 ZINC000603229538 400658823 /nfs/dbraw/zinc/65/88/23/400658823.db2.gz ZWQXFUUDNHODLA-CQSZACIVSA-N 0 3 309.417 3.181 20 30 DGEDHN CCN(C)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618743007 400680057 /nfs/dbraw/zinc/68/00/57/400680057.db2.gz UUCQYACPGYMCNU-SFHVURJKSA-N 0 3 306.413 3.186 20 30 DGEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618743042 400680127 /nfs/dbraw/zinc/68/01/27/400680127.db2.gz UZXUOUNMHTWBRW-KRWDZBQOSA-N 0 3 308.381 3.353 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597860993 400681657 /nfs/dbraw/zinc/68/16/57/400681657.db2.gz QXGMXRPGOWKGLO-INIZCTEOSA-N 0 3 313.445 3.090 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000597864250 400683006 /nfs/dbraw/zinc/68/30/06/400683006.db2.gz MCDNIJNJZYUFSR-NVXWUHKLSA-N 0 3 307.397 3.074 20 30 DGEDHN CCn1cc(CN(CCOc2ccccc2C#N)C(C)C)cn1 ZINC000593080481 400755891 /nfs/dbraw/zinc/75/58/91/400755891.db2.gz ITJGHYACQYTSQJ-UHFFFAOYSA-N 0 3 312.417 3.064 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CC1CCCCC1)C1CC1 ZINC000052244930 400724916 /nfs/dbraw/zinc/72/49/16/400724916.db2.gz CHEOXMXTBGLLPX-GOSISDBHSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)(C)CCN1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077192751 400694574 /nfs/dbraw/zinc/69/45/74/400694574.db2.gz CZUJFZVBRTVSQS-UHFFFAOYSA-N 0 3 323.444 3.060 20 30 DGEDHN CC[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N(CC)CC ZINC000597948783 400702102 /nfs/dbraw/zinc/70/21/02/400702102.db2.gz NDOJTPNDWIINOB-INIZCTEOSA-N 0 3 301.434 3.030 20 30 DGEDHN C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000597948859 400702570 /nfs/dbraw/zinc/70/25/70/400702570.db2.gz PYLXJNFGHQSWNU-KFWWJZLASA-N 0 3 313.445 3.171 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](c2ccccc2)C1 ZINC000077272967 400703897 /nfs/dbraw/zinc/70/38/97/400703897.db2.gz MJLAFYREYVAHDH-GOSISDBHSA-N 0 3 322.408 3.435 20 30 DGEDHN C[C@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000597980613 400711120 /nfs/dbraw/zinc/71/11/20/400711120.db2.gz UGELUOLBJCEDOP-LVFSCSRESA-N 0 3 323.440 3.429 20 30 DGEDHN C[C@H]1CC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000597980612 400711310 /nfs/dbraw/zinc/71/13/10/400711310.db2.gz UGELUOLBJCEDOP-CLCXKQKWSA-N 0 3 323.440 3.429 20 30 DGEDHN C[C@H]1CCCN(CCNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613411758 400712483 /nfs/dbraw/zinc/71/24/83/400712483.db2.gz NUYWINAZERCHAR-AWEZNQCLSA-N 0 3 300.450 3.395 20 30 DGEDHN CC(C#N)C(=O)N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000592879433 400712729 /nfs/dbraw/zinc/71/27/29/400712729.db2.gz LVKAJMXWZCOZHA-JVXZTZIISA-N 0 3 313.254 3.186 20 30 DGEDHN CSCC1(CCNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000597988290 400714307 /nfs/dbraw/zinc/71/43/07/400714307.db2.gz LVBRNNNGNWFDBX-MRXNPFEDSA-N 0 3 316.470 3.408 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597993898 400715613 /nfs/dbraw/zinc/71/56/13/400715613.db2.gz DQKCGNHQSDAJQI-MSOLQXFVSA-N 0 3 307.397 3.055 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC000171725328 400805866 /nfs/dbraw/zinc/80/58/66/400805866.db2.gz LGRYCOFHKCKCRS-GOSISDBHSA-N 0 3 300.446 3.337 20 30 DGEDHN CC(C#N)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000598208493 400760303 /nfs/dbraw/zinc/76/03/03/400760303.db2.gz HFOGBZLQDXAQGO-LLVKDONJSA-N 0 3 321.218 3.048 20 30 DGEDHN C[C@]1(CCNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598218963 400763514 /nfs/dbraw/zinc/76/35/14/400763514.db2.gz JRCPDIWLFOOTMV-ZBFHGGJFSA-N 0 3 306.356 3.311 20 30 DGEDHN CC(C#N)C(=O)N1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000598231945 400766896 /nfs/dbraw/zinc/76/68/96/400766896.db2.gz VDZDNPAKGBNFII-RISCZKNCSA-N 0 3 306.793 3.178 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000598264748 400770995 /nfs/dbraw/zinc/77/09/95/400770995.db2.gz QMLXEOQWXYJUED-CYBMUJFWSA-N 0 3 319.836 3.062 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604393851 400772806 /nfs/dbraw/zinc/77/28/06/400772806.db2.gz IAZGXOZUHASPAB-AOIWGVFYSA-N 0 3 312.457 3.454 20 30 DGEDHN N#Cc1ccc(CN2CCCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000078262253 400781580 /nfs/dbraw/zinc/78/15/80/400781580.db2.gz XLAWJVHPINHBJT-UHFFFAOYSA-N 0 3 316.408 3.142 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H]3C3CCC3)C2=O)cc1 ZINC000619157558 400784546 /nfs/dbraw/zinc/78/45/46/400784546.db2.gz FHTMBEXRNLBSJP-RBUKOAKNSA-N 0 3 323.440 3.318 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1 ZINC000078460024 400801390 /nfs/dbraw/zinc/80/13/90/400801390.db2.gz NSLOWYVSZIETQJ-LJQANCHMSA-N 0 3 324.424 3.210 20 30 DGEDHN CCc1ccc(C(C)(C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000180097747 400881777 /nfs/dbraw/zinc/88/17/77/400881777.db2.gz GARQZWTYBXZECS-LJQANCHMSA-N 0 3 315.461 3.128 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000619673129 400881930 /nfs/dbraw/zinc/88/19/30/400881930.db2.gz YBCQVQCQMSDLOX-RISCZKNCSA-N 0 3 316.792 3.214 20 30 DGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598588100 400837690 /nfs/dbraw/zinc/83/76/90/400837690.db2.gz YOVDPQIUJZLISV-INIZCTEOSA-N 0 3 319.405 3.106 20 30 DGEDHN Cc1ccc([C@@H]2CSCCN2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598592952 400838606 /nfs/dbraw/zinc/83/86/06/400838606.db2.gz OLFYZAYCXUNFGQ-SJORKVTESA-N 0 3 318.486 3.386 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(OCC2CCCCC2)CC1 ZINC000598594409 400840211 /nfs/dbraw/zinc/84/02/11/400840211.db2.gz GQQRILARQDZGJJ-QGZVFWFLSA-N 0 3 322.493 3.348 20 30 DGEDHN C=C(C)[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598608189 400842859 /nfs/dbraw/zinc/84/28/59/400842859.db2.gz LUVDROFDCKDKTR-CJNGLKHVSA-N 0 3 308.372 3.472 20 30 DGEDHN C=CCCCN1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000605149965 400843355 /nfs/dbraw/zinc/84/33/55/400843355.db2.gz WTWCHPNNNJGQIG-UHFFFAOYSA-N 0 3 308.853 3.432 20 30 DGEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCc2ccc(F)cc21 ZINC000598622937 400846102 /nfs/dbraw/zinc/84/61/02/400846102.db2.gz PJZNLFTZTZWOFY-CZUORRHYSA-N 0 3 304.409 3.088 20 30 DGEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224288 400853242 /nfs/dbraw/zinc/85/32/42/400853242.db2.gz AGHBXWGFVFSSFL-HNNXBMFYSA-N 0 3 321.490 3.493 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224251 400853394 /nfs/dbraw/zinc/85/33/94/400853394.db2.gz SHAJGVHVAREQRJ-HNNXBMFYSA-N 0 3 319.474 3.269 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(F)cc1C(F)(F)F ZINC000598701416 400860875 /nfs/dbraw/zinc/86/08/75/400860875.db2.gz UWGQMVZZYXZENT-LBPRGKRZSA-N 0 3 318.314 3.235 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccccc1N1CCCCC1 ZINC000598724298 400865556 /nfs/dbraw/zinc/86/55/56/400865556.db2.gz NTZLRJWGXBPCTP-KRWDZBQOSA-N 0 3 315.461 3.067 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000598724846 400866933 /nfs/dbraw/zinc/86/69/33/400866933.db2.gz RTFYPNOWBARFNB-SWLSCSKDSA-N 0 3 322.836 3.444 20 30 DGEDHN Cc1ccnc(NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593514980 400868912 /nfs/dbraw/zinc/86/89/12/400868912.db2.gz IUDOOHTVYQJKOM-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(C#N)cc1F ZINC000599058294 400943228 /nfs/dbraw/zinc/94/32/28/400943228.db2.gz JRNRQRVJTNDLHV-DYVFJYSZSA-N 0 3 310.372 3.489 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cccc(SCC#N)c2)nc(C)n1 ZINC000080379064 400946464 /nfs/dbraw/zinc/94/64/64/400946464.db2.gz NNAJBAQNIYXALE-HNNXBMFYSA-N 0 3 322.393 3.199 20 30 DGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079714060 400889534 /nfs/dbraw/zinc/88/95/34/400889534.db2.gz YVUFQSVEAQDNEC-VIFPVBQESA-N 0 3 300.280 3.482 20 30 DGEDHN COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000614407399 400896071 /nfs/dbraw/zinc/89/60/71/400896071.db2.gz PLPIBOYPIOOAGS-KRWDZBQOSA-N 0 3 314.429 3.278 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000614406218 400896578 /nfs/dbraw/zinc/89/65/78/400896578.db2.gz XPPKFPLOOOWQCZ-KRWDZBQOSA-N 0 3 314.429 3.420 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182882495 400898964 /nfs/dbraw/zinc/89/89/64/400898964.db2.gz XRGSRFMENJMSAY-DYVFJYSZSA-N 0 3 317.408 3.298 20 30 DGEDHN CC[C@H](NCc1ccc2oc(=O)n(C)c2c1)c1ccc(C#N)cc1 ZINC000599078604 400952151 /nfs/dbraw/zinc/95/21/51/400952151.db2.gz DJESOTLHTLTMJZ-INIZCTEOSA-N 0 3 321.380 3.244 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000619756006 400899388 /nfs/dbraw/zinc/89/93/88/400899388.db2.gz ODWYHWYKJCYADU-IPMKNSEASA-N 0 3 323.440 3.069 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000619756004 400899846 /nfs/dbraw/zinc/89/98/46/400899846.db2.gz ODWYHWYKJCYADU-FHWLQOOXSA-N 0 3 323.440 3.069 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)c(Cl)c1 ZINC000619755329 400899908 /nfs/dbraw/zinc/89/99/08/400899908.db2.gz XFRBNAFSDGUHRX-LLVKDONJSA-N 0 3 308.809 3.422 20 30 DGEDHN C[C@H](CN1CCN(c2oc(C3CC3)nc2C#N)CC1)C(C)(C)C ZINC000619843835 400910175 /nfs/dbraw/zinc/91/01/75/400910175.db2.gz RWKVKLXMJIJSLQ-CYBMUJFWSA-N 0 3 316.449 3.228 20 30 DGEDHN N#CCCCOc1cccc(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000599007381 400926568 /nfs/dbraw/zinc/92/65/68/400926568.db2.gz QAKREQFQOREKQS-WMZOPIPTSA-N 0 3 300.402 3.026 20 30 DGEDHN N#CCCCOc1cccc(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000599007378 400926745 /nfs/dbraw/zinc/92/67/45/400926745.db2.gz QAKREQFQOREKQS-AEFFLSMTSA-N 0 3 300.402 3.026 20 30 DGEDHN C[C@@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000593971042 400931302 /nfs/dbraw/zinc/93/13/02/400931302.db2.gz CYMZOAFBKQDJPC-OXQOHEQNSA-N 0 3 321.424 3.114 20 30 DGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CCCCC2)C1 ZINC000057433632 401003782 /nfs/dbraw/zinc/00/37/82/401003782.db2.gz VSXZLMPXQMBLNO-OAHLLOKOSA-N 0 3 305.466 3.087 20 30 DGEDHN N#Cc1cccc(NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126351 400969873 /nfs/dbraw/zinc/96/98/73/400969873.db2.gz FOKLQEZTIQFGJB-OAHLLOKOSA-N 0 3 314.389 3.285 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2cccc(Cl)c2)CC1 ZINC000057155387 400977065 /nfs/dbraw/zinc/97/70/65/400977065.db2.gz UOOSQQXACSMVPB-QGZVFWFLSA-N 0 3 318.848 3.253 20 30 DGEDHN Cc1ccc(CN[C@@H](CC(=O)OC(C)C)C(C)C)cc1C#N ZINC000599454918 401055924 /nfs/dbraw/zinc/05/59/24/401055924.db2.gz YJTZVIMAULWJBD-KRWDZBQOSA-N 0 3 302.418 3.323 20 30 DGEDHN C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCCC[C@H]1C ZINC000058535526 401058849 /nfs/dbraw/zinc/05/88/49/401058849.db2.gz VLBVODRIPOAJMM-CABCVRRESA-N 0 3 314.433 3.137 20 30 DGEDHN CCc1ccc(CN(C(=O)[C@H](N)CCCCC#N)C2CC2)cc1 ZINC000594425822 401062992 /nfs/dbraw/zinc/06/29/92/401062992.db2.gz ADAYQBUDUPFEEM-GOSISDBHSA-N 0 3 313.445 3.151 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000594428584 401064625 /nfs/dbraw/zinc/06/46/25/401064625.db2.gz MYERRYHQXSIHRS-QZTJIDSGSA-N 0 3 313.445 3.021 20 30 DGEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@H](C)C1(F)F ZINC000599514706 401064653 /nfs/dbraw/zinc/06/46/53/401064653.db2.gz YVXOCIVRSRPTCK-STQMWFEESA-N 0 3 321.371 3.110 20 30 DGEDHN CC(C)(C)c1ccc(O)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594437871 401070166 /nfs/dbraw/zinc/07/01/66/401070166.db2.gz XKLYZGDOSLFTNY-ZDUSSCGKSA-N 0 3 303.406 3.039 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000594447848 401071760 /nfs/dbraw/zinc/07/17/60/401071760.db2.gz VUSWIHTXDJTKCS-MRXNPFEDSA-N 0 3 311.429 3.256 20 30 DGEDHN CC[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(C)cc1 ZINC000599346091 401028140 /nfs/dbraw/zinc/02/81/40/401028140.db2.gz XRVJGOHIUITLBI-MOPGFXCFSA-N 0 3 324.424 3.347 20 30 DGEDHN CC[C@H](c1ccccc1)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000057861434 401033182 /nfs/dbraw/zinc/03/31/82/401033182.db2.gz GUXOAQAIXDPJBZ-GOSISDBHSA-N 0 3 306.413 3.227 20 30 DGEDHN CC(C)C[C@@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247018271 401043120 /nfs/dbraw/zinc/04/31/20/401043120.db2.gz OINPOHOYHNSHIE-FUHWJXTLSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)(C)CNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000599426608 401047267 /nfs/dbraw/zinc/04/72/67/401047267.db2.gz JWECTRIXPXGHFC-INIZCTEOSA-N 0 3 301.434 3.173 20 30 DGEDHN C=CCCN(C)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625363937 401110669 /nfs/dbraw/zinc/11/06/69/401110669.db2.gz BGEORGSVXIGVBE-CQSZACIVSA-N 0 3 323.234 3.210 20 30 DGEDHN Cc1cccc(OCCN2CCc3c(CC#N)cccc3C2)c1 ZINC000599685240 401114160 /nfs/dbraw/zinc/11/41/60/401114160.db2.gz BOZQHKBVBIYQCY-UHFFFAOYSA-N 0 3 306.409 3.498 20 30 DGEDHN Cc1cc(C)cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000060851168 401137517 /nfs/dbraw/zinc/13/75/17/401137517.db2.gz GJBKRIALGIFRTI-OAHLLOKOSA-N 0 3 308.385 3.111 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000599805189 401142154 /nfs/dbraw/zinc/14/21/54/401142154.db2.gz ILPVFTLOZDTVBF-WBVHZDCISA-N 0 3 315.461 3.432 20 30 DGEDHN C[C@H](CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1)C1CCCCC1 ZINC000599633019 401096938 /nfs/dbraw/zinc/09/69/38/401096938.db2.gz KIKMECSHSGSDHI-CABCVRRESA-N 0 3 305.466 3.086 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(C3CC3)[nH]c2C2CC2)CC1 ZINC000625321753 401098235 /nfs/dbraw/zinc/09/82/35/401098235.db2.gz OWGIQAOLAQQGTR-UHFFFAOYSA-N 0 3 313.445 3.150 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(Cc3nc(C4CCC4)no3)CC2)C1 ZINC000599640608 401100326 /nfs/dbraw/zinc/10/03/26/401100326.db2.gz AJEYMTLSTWEJQH-HOCLYGCPSA-N 0 3 314.433 3.284 20 30 DGEDHN C=CCCSCCNCc1c[nH]nc1-c1cccc(OC)c1 ZINC000594960151 401208668 /nfs/dbraw/zinc/20/86/68/401208668.db2.gz LCXWRWQUGRGUEJ-UHFFFAOYSA-N 0 3 317.458 3.484 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCN2Cc2ccccc2)cc1F ZINC000594999742 401224054 /nfs/dbraw/zinc/22/40/54/401224054.db2.gz VOBPYOLUPDXLOI-GOSISDBHSA-N 0 3 309.388 3.061 20 30 DGEDHN N#Cc1ccccc1CSCCN[C@H]1CCCn2nccc21 ZINC000595007141 401228298 /nfs/dbraw/zinc/22/82/98/401228298.db2.gz KAASUKNXSBMKJL-INIZCTEOSA-N 0 3 312.442 3.113 20 30 DGEDHN C=CCC1(NCc2nnnn2Cc2ccccc2)CCCCC1 ZINC000625937521 401260237 /nfs/dbraw/zinc/26/02/37/401260237.db2.gz CUKRDIDHJZTCCX-UHFFFAOYSA-N 0 3 311.433 3.090 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@H](C)[C@@H](CO)C2)ccc1OC ZINC000621736827 401290760 /nfs/dbraw/zinc/29/07/60/401290760.db2.gz HFXJEUOJOCZVSN-NVXWUHKLSA-N 0 3 319.445 3.100 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@H](CC)CCO)cc1OC ZINC000623428173 401515343 /nfs/dbraw/zinc/51/53/43/401515343.db2.gz ASRYNFZWJUWOGN-CYBMUJFWSA-N 0 3 313.825 3.164 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000631627970 401518258 /nfs/dbraw/zinc/51/82/58/401518258.db2.gz DXJBYTMZDSCKQL-FUHWJXTLSA-N 0 3 312.457 3.370 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(CC)[C@H](C)CO)cc1OC ZINC000628290708 401569035 /nfs/dbraw/zinc/56/90/35/401569035.db2.gz SBLMNZMYBWZATO-GFCCVEGCSA-N 0 3 313.825 3.116 20 30 DGEDHN Cc1ccc([C@@H](CN[C@@H]2CCC[C@H](C#N)C2)N2CCCC2)o1 ZINC000185882951 292202061 /nfs/dbraw/zinc/20/20/61/292202061.db2.gz QXTOUFHDYVWILY-GVDBMIGSSA-N 0 3 301.434 3.397 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000171725473 432164819 /nfs/dbraw/zinc/16/48/19/432164819.db2.gz OVLXWANKQNPUNL-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=CCN1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000171721352 432165015 /nfs/dbraw/zinc/16/50/15/432165015.db2.gz NBNZKLDDJFCLNB-UHFFFAOYSA-N 0 3 300.427 3.282 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000171721066 432165385 /nfs/dbraw/zinc/16/53/85/432165385.db2.gz NKXNLSHZMDJEFS-GQCTYLIASA-N 0 3 310.850 3.181 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2ccccc2C)CC1 ZINC000171728597 432165694 /nfs/dbraw/zinc/16/56/94/432165694.db2.gz LSCLXPKMRGYZMF-UHFFFAOYSA-N 0 3 314.473 3.429 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000171738820 432166594 /nfs/dbraw/zinc/16/65/94/432166594.db2.gz HWHZEBMNCBZCEM-HNNXBMFYSA-N 0 3 301.434 3.039 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(Cl)cc32)CC1 ZINC000171741114 432166617 /nfs/dbraw/zinc/16/66/17/432166617.db2.gz WINRBXCLOOEUKQ-UHFFFAOYSA-N 0 3 319.836 3.063 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000171737961 432167382 /nfs/dbraw/zinc/16/73/82/432167382.db2.gz GVDUGFZLMUHANE-UHFFFAOYSA-N 0 3 307.825 3.420 20 30 DGEDHN C=CCN1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171832238 432177508 /nfs/dbraw/zinc/17/75/08/432177508.db2.gz QWQVPLFXEMYYHR-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN COc1ccccc1O[C@H](C)CNCc1ccc(C#N)cc1F ZINC000269427655 432172525 /nfs/dbraw/zinc/17/25/25/432172525.db2.gz OGFDWFDBAVBHPB-CYBMUJFWSA-N 0 3 314.360 3.263 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1cc(C#N)ccc1C ZINC000172220463 432203459 /nfs/dbraw/zinc/20/34/59/432203459.db2.gz YLVMOVNKUNWOAT-INIZCTEOSA-N 0 3 314.433 3.253 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000130950334 196125785 /nfs/dbraw/zinc/12/57/85/196125785.db2.gz ILINADYDIUKPLP-ZIAGYGMSSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2cccc(F)c2)CC1 ZINC000172290192 432207070 /nfs/dbraw/zinc/20/70/70/432207070.db2.gz FRFCXDVKCIDQSO-AWEZNQCLSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000247215574 432211627 /nfs/dbraw/zinc/21/16/27/432211627.db2.gz BCMGXNNTHOIRQT-OWCLPIDISA-N 0 3 316.445 3.129 20 30 DGEDHN C=C(C)[C@H](CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)OCC ZINC000270115645 432228208 /nfs/dbraw/zinc/22/82/08/432228208.db2.gz UHYZMRPAMWNQFJ-ROUUACIJSA-N 0 3 318.461 3.085 20 30 DGEDHN CN(C)CCN(C(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000132526948 196262411 /nfs/dbraw/zinc/26/24/11/196262411.db2.gz KPOHKQYJCNNBMO-UHFFFAOYSA-N 0 3 314.433 3.286 20 30 DGEDHN CC[C@@H]1[C@H](C)CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883721 287362439 /nfs/dbraw/zinc/36/24/39/287362439.db2.gz USNSVSQSHVJWDC-OLMNPRSZSA-N 0 3 311.429 3.174 20 30 DGEDHN Cc1noc(C)c1C[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000127173271 227001904 /nfs/dbraw/zinc/00/19/04/227001904.db2.gz XRUHJYWVUBXPEQ-UYCDIGJJSA-N 0 3 309.413 3.436 20 30 DGEDHN C[C@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccsc1 ZINC000127309925 227004277 /nfs/dbraw/zinc/00/42/77/227004277.db2.gz YODCUHHUEDNWHZ-ADKAHSJRSA-N 0 3 312.438 3.169 20 30 DGEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCCSCC#N ZINC000175409771 228300572 /nfs/dbraw/zinc/30/05/72/228300572.db2.gz NYRMYMDQDBTZPQ-XCLFUZPHSA-N 0 3 310.488 3.064 20 30 DGEDHN C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181745103 228363881 /nfs/dbraw/zinc/36/38/81/228363881.db2.gz UGVFFAFTASNPGG-HNNXBMFYSA-N 0 3 323.396 3.268 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(C)C ZINC000183204078 228371122 /nfs/dbraw/zinc/37/11/22/228371122.db2.gz AKFYESGBFFJSBZ-RTBURBONSA-N 0 3 313.445 3.090 20 30 DGEDHN Cc1cccc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000183713929 228375781 /nfs/dbraw/zinc/37/57/81/228375781.db2.gz RFTDUWHFPGXEKB-MAUKXSAKSA-N 0 3 301.434 3.009 20 30 DGEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000185830558 228398526 /nfs/dbraw/zinc/39/85/26/228398526.db2.gz REXBTZVDXVYMOD-YDHLFZDLSA-N 0 3 317.820 3.117 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000329919039 228967333 /nfs/dbraw/zinc/96/73/33/228967333.db2.gz RJVKVGQDBAEZIW-UMVBOHGHSA-N 0 3 317.820 3.117 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338295336 229061962 /nfs/dbraw/zinc/06/19/62/229061962.db2.gz IIVCXVLHYMLWEC-IINYFYTJSA-N 0 3 314.282 3.262 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(CC#N)cc1 ZINC000343529743 229126170 /nfs/dbraw/zinc/12/61/70/229126170.db2.gz AWARXYSOZFKGEX-SFHVURJKSA-N 0 3 319.452 3.459 20 30 DGEDHN N#CC1(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)CC1 ZINC000339676805 229081599 /nfs/dbraw/zinc/08/15/99/229081599.db2.gz PXOIGRSAVMOVJS-UHFFFAOYSA-N 0 3 322.811 3.464 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ccc(F)cc3c2)nc(C)n1 ZINC000340186662 229086935 /nfs/dbraw/zinc/08/69/35/229086935.db2.gz UBEVMWOXGYBTEA-HNNXBMFYSA-N 0 3 320.327 3.271 20 30 DGEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000340251086 229087729 /nfs/dbraw/zinc/08/77/29/229087729.db2.gz MSKPQQXWKGVVFQ-CQSZACIVSA-N 0 3 314.433 3.046 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C2CC2)C1 ZINC000344014821 229133774 /nfs/dbraw/zinc/13/37/74/229133774.db2.gz DBNHCPCEEAZTDS-WBVHZDCISA-N 0 3 311.429 3.054 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(OCc2ccccc2F)cc1 ZINC000344852085 229145873 /nfs/dbraw/zinc/14/58/73/229145873.db2.gz IJJXIARWLNCEDK-ZDUSSCGKSA-N 0 3 312.344 3.181 20 30 DGEDHN Cc1cccc(COc2ccc(CNC(=O)C(C)C#N)cc2)c1 ZINC000345807714 229157008 /nfs/dbraw/zinc/15/70/08/229157008.db2.gz AOGSJEGKCKMYQB-HNNXBMFYSA-N 0 3 308.381 3.350 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2Cl)cc1 ZINC000347966802 229195443 /nfs/dbraw/zinc/19/54/43/229195443.db2.gz ZBUBXVIWWFFKEM-INIZCTEOSA-N 0 3 323.783 3.210 20 30 DGEDHN N#CC(C(=O)c1cc2c(s1)CCOC2)c1nc2ccccc2[nH]1 ZINC000348558175 229202337 /nfs/dbraw/zinc/20/23/37/229202337.db2.gz VZYXAZPGOVTBCB-LLVKDONJSA-N 0 3 323.377 3.187 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)NCC(C)(C)CCC#N)c1 ZINC000348494282 229202919 /nfs/dbraw/zinc/20/29/19/229202919.db2.gz PGQLVTAQECDKTM-UHFFFAOYSA-N 0 3 302.422 3.200 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)c1ccncn1 ZINC000352307488 229250058 /nfs/dbraw/zinc/25/00/58/229250058.db2.gz SDRSHTZLMOUYPM-VIFPVBQESA-N 0 3 307.140 3.029 20 30 DGEDHN COc1ccc(-c2csc(CNC(=O)C(C)C#N)c2)cc1 ZINC000352287026 229250476 /nfs/dbraw/zinc/25/04/76/229250476.db2.gz WGFJQHHIEPIERO-NSHDSACASA-N 0 3 300.383 3.200 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000357787205 229353679 /nfs/dbraw/zinc/35/36/79/229353679.db2.gz GKMKGLZRAATUOA-ZWNOBZJWSA-N 0 3 307.191 3.272 20 30 DGEDHN COCCC[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000358922303 229367603 /nfs/dbraw/zinc/36/76/03/229367603.db2.gz UVNZXTZERKGNRQ-JSGCOSHPSA-N 0 3 308.809 3.126 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc(C#N)cc1F ZINC000413238981 230162172 /nfs/dbraw/zinc/16/21/72/230162172.db2.gz SWYYEJIZDUUNLK-SUMWQHHRSA-N 0 3 310.376 3.025 20 30 DGEDHN CN(C)[C@@H](CNc1c(C#N)cccc1C#N)c1cccc(F)c1 ZINC000302446631 230247317 /nfs/dbraw/zinc/24/73/17/230247317.db2.gz OESRFZPLTGQUON-KRWDZBQOSA-N 0 3 308.360 3.284 20 30 DGEDHN CCCN(CCN1CCCCCC1)C(=O)c1sccc1C#N ZINC000346280221 264001537 /nfs/dbraw/zinc/00/15/37/264001537.db2.gz TZIUQSLLJPHLOQ-UHFFFAOYSA-N 0 3 319.474 3.348 20 30 DGEDHN CC[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCO1 ZINC000348358796 264396327 /nfs/dbraw/zinc/39/63/27/264396327.db2.gz QIPSWNBWIACKFX-KGLIPLIRSA-N 0 3 310.344 3.207 20 30 DGEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(C#N)s1)c1ccco1 ZINC000359548074 270004269 /nfs/dbraw/zinc/00/42/69/270004269.db2.gz SYYFNGHNSMUBJM-WCQYABFASA-N 0 3 317.414 3.072 20 30 DGEDHN COc1ccc([C@H](CCO)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353262986 265367061 /nfs/dbraw/zinc/36/70/61/265367061.db2.gz FMWDUNRCDWSDJG-VQTJNVASSA-N 0 3 322.408 3.267 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)O ZINC000353538958 266051461 /nfs/dbraw/zinc/05/14/61/266051461.db2.gz IMBKQUDMBJZBQT-UHFFFAOYSA-N 0 3 312.360 3.143 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000355405486 266063999 /nfs/dbraw/zinc/06/39/99/266063999.db2.gz BAWUOWHLSOVPMB-HZPDHXFCSA-N 0 3 313.445 3.170 20 30 DGEDHN CC[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(N)=O ZINC000378617913 266411722 /nfs/dbraw/zinc/41/17/22/266411722.db2.gz BXHCKCLEIATEFI-UGSOOPFHSA-N 0 3 307.397 3.140 20 30 DGEDHN COC(=O)C[C@H](NCc1cccc(C#N)c1F)C1CCCCC1 ZINC000347969200 266630950 /nfs/dbraw/zinc/63/09/50/266630950.db2.gz VOUVVKSMBKTIQK-INIZCTEOSA-N 0 3 318.392 3.299 20 30 DGEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(Cl)c1 ZINC000191218463 432235663 /nfs/dbraw/zinc/23/56/63/432235663.db2.gz OITDSXYVYKXQRE-LBPRGKRZSA-N 0 3 303.793 3.107 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000371730674 267000493 /nfs/dbraw/zinc/00/04/93/267000493.db2.gz XWYZJXRPJAMNEG-MAUKXSAKSA-N 0 3 311.429 3.096 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348785437 267026489 /nfs/dbraw/zinc/02/64/89/267026489.db2.gz BMCUHMQLHMUDIF-HZPDHXFCSA-N 0 3 323.440 3.047 20 30 DGEDHN C[C@H](CNc1c(C#N)nnc2ccccc21)N1CCCC[C@H]1C ZINC000354311976 267163273 /nfs/dbraw/zinc/16/32/73/267163273.db2.gz OOOPTHWWRQTOSD-ZIAGYGMSSA-N 0 3 309.417 3.176 20 30 DGEDHN C[C@H]1Cc2ccccc2CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000357794986 267243842 /nfs/dbraw/zinc/24/38/42/267243842.db2.gz HLNBDLMUJMKZOP-HNNXBMFYSA-N 0 3 319.408 3.334 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000247510236 432238033 /nfs/dbraw/zinc/23/80/33/432238033.db2.gz MLEOGUZDBOKXDN-GOEBONIOSA-N 0 3 308.385 3.373 20 30 DGEDHN CO[C@@H](CNCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 ZINC000191238104 432238450 /nfs/dbraw/zinc/23/84/50/432238450.db2.gz NCHLWTKAJJUQQO-INIZCTEOSA-N 0 3 303.793 3.027 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N(CC3CC3)C3CCC3)C2=O)cc1 ZINC000361585439 268111066 /nfs/dbraw/zinc/11/10/66/268111066.db2.gz IMMGQYPSWNJMTQ-LJQANCHMSA-N 0 3 323.440 3.318 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(C(N)=O)cc1 ZINC000360664010 268219289 /nfs/dbraw/zinc/21/92/89/268219289.db2.gz NCKASNZDTBLADG-LJQANCHMSA-N 0 3 319.408 3.214 20 30 DGEDHN CCc1csc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191302020 432246625 /nfs/dbraw/zinc/24/66/25/432246625.db2.gz GJWWLPYXYXDNGN-CQSZACIVSA-N 0 3 314.458 3.295 20 30 DGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(N2CCCC2)c1 ZINC000191309599 432248633 /nfs/dbraw/zinc/24/86/33/432248633.db2.gz DPUAFHUWTQCMCL-HNNXBMFYSA-N 0 3 308.429 3.348 20 30 DGEDHN CC(C)CN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000301790826 273513383 /nfs/dbraw/zinc/51/33/83/273513383.db2.gz WNVPZLYJLWPSLF-UHFFFAOYSA-N 0 3 311.351 3.355 20 30 DGEDHN C[C@@H]1C[C@@H](CO)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000420943045 274386229 /nfs/dbraw/zinc/38/62/29/274386229.db2.gz PKQMZVPZOPGPPG-UKRRQHHQSA-N 0 3 311.347 3.007 20 30 DGEDHN C[C@@H]1C[C@H](C)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000443651273 274398235 /nfs/dbraw/zinc/39/82/35/274398235.db2.gz JGHISPIKAKNKMS-RKVPGOIHSA-N 0 3 311.429 3.032 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+]C2[C@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000182948737 274877160 /nfs/dbraw/zinc/87/71/60/274877160.db2.gz ZPIZUHCPVBKZHT-SOSAQKQKSA-N 0 3 303.406 3.121 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000183916890 275382226 /nfs/dbraw/zinc/38/22/26/275382226.db2.gz DINOUDRPRQZXLR-OXJNMPFZSA-N 0 3 324.468 3.162 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)n(C)nc1C(C)C ZINC000280662988 275419732 /nfs/dbraw/zinc/41/97/32/275419732.db2.gz PGLVAAPRTXEVBY-WFASDCNBSA-N 0 3 311.857 3.268 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C)C1 ZINC000483269416 276008314 /nfs/dbraw/zinc/00/83/14/276008314.db2.gz LLDLIPVTROGXAO-IIDMSEBBSA-N 0 3 307.482 3.187 20 30 DGEDHN CCN(CCC1CC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000355069815 276342590 /nfs/dbraw/zinc/34/25/90/276342590.db2.gz SECFCIGKSKIPNW-INIZCTEOSA-N 0 3 313.445 3.444 20 30 DGEDHN CC[C@H](C)N[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccco1 ZINC000359538416 276618540 /nfs/dbraw/zinc/61/85/40/276618540.db2.gz BAQZTCVQORKPKM-GJZGRUSLSA-N 0 3 317.433 3.299 20 30 DGEDHN CN(C(=O)c1cc(C#N)ccc1Cl)C(C)(C)CN1CCCC1 ZINC000416112376 276745519 /nfs/dbraw/zinc/74/55/19/276745519.db2.gz WTVDBVBLEROYEN-UHFFFAOYSA-N 0 3 319.836 3.158 20 30 DGEDHN CN1CC[C@@H]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000274257221 277146693 /nfs/dbraw/zinc/14/66/93/277146693.db2.gz ZFKZGQIGDRIOQX-ABAIWWIYSA-N 0 3 309.335 3.107 20 30 DGEDHN CN1CC[C@@]2(CCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1 ZINC000488770813 277161184 /nfs/dbraw/zinc/16/11/84/277161184.db2.gz QEGXBAQXLKADMH-HXUWFJFHSA-N 0 3 324.472 3.099 20 30 DGEDHN C=CC1CCN(C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449036558 277821798 /nfs/dbraw/zinc/82/17/98/277821798.db2.gz UTBDDYVEJQEXJS-CQSZACIVSA-N 0 3 307.459 3.092 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C)(C)C1)C(C)C ZINC000465536236 277848008 /nfs/dbraw/zinc/84/80/08/277848008.db2.gz ARRHQHHJEJVTJL-INIZCTEOSA-N 0 3 307.482 3.127 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329721578 278032851 /nfs/dbraw/zinc/03/28/51/278032851.db2.gz NCFVDVALHRJWCI-KBMXLJTQSA-N 0 3 324.428 3.059 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329721578 278032852 /nfs/dbraw/zinc/03/28/52/278032852.db2.gz NCFVDVALHRJWCI-KBMXLJTQSA-N 0 3 324.428 3.059 20 30 DGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000269118917 278252934 /nfs/dbraw/zinc/25/29/34/278252934.db2.gz JAQHMFFHCXUVSS-LBPRGKRZSA-N 0 3 320.824 3.208 20 30 DGEDHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000174076401 278372316 /nfs/dbraw/zinc/37/23/16/278372316.db2.gz HAEGZKCIAXQDCM-CZUORRHYSA-N 0 3 315.417 3.218 20 30 DGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000329214646 278519613 /nfs/dbraw/zinc/51/96/13/278519613.db2.gz LJLGZXJHLKKNMQ-VNQPRFMTSA-N 0 3 321.465 3.351 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000451929361 278787746 /nfs/dbraw/zinc/78/77/46/278787746.db2.gz NWARJVPYVVJTRF-IBGZPJMESA-N 0 3 317.477 3.185 20 30 DGEDHN CCN(CC)C(=O)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417378779 279071136 /nfs/dbraw/zinc/07/11/36/279071136.db2.gz FQVCWSZQIGHQNB-RDTXWAMCSA-N 0 3 313.445 3.172 20 30 DGEDHN CCN(CC)C(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185881231 279083761 /nfs/dbraw/zinc/08/37/61/279083761.db2.gz AOAFTRNWOBKPHG-SJLPKXTDSA-N 0 3 313.445 3.341 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000068713414 431139697 /nfs/dbraw/zinc/13/96/97/431139697.db2.gz JCLGYUURXYPUGD-WMZOPIPTSA-N 0 3 304.478 3.053 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(C#N)cc1 ZINC000109015001 431166158 /nfs/dbraw/zinc/16/61/58/431166158.db2.gz BZEIEROZEAOGJU-GFCCVEGCSA-N 0 3 324.409 3.171 20 30 DGEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N(C)Cc1ccccc1 ZINC000110353669 431188504 /nfs/dbraw/zinc/18/85/04/431188504.db2.gz UIKUOVDIZONFNJ-MRXNPFEDSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000111259536 431205131 /nfs/dbraw/zinc/20/51/31/431205131.db2.gz PBVUTBLYALDBHJ-CABCVRRESA-N 0 3 316.445 3.159 20 30 DGEDHN CC(C)C[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072492008 431335924 /nfs/dbraw/zinc/33/59/24/431335924.db2.gz NVWOQZNBRBIGSH-SJLPKXTDSA-N 0 3 311.429 3.032 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000113565611 431354669 /nfs/dbraw/zinc/35/46/69/431354669.db2.gz MPUPRLVUJBCZES-HNNXBMFYSA-N 0 3 318.396 3.083 20 30 DGEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424110644 288162992 /nfs/dbraw/zinc/16/29/92/288162992.db2.gz FEAMNMMDXCZKQM-KURKYZTESA-N 0 3 313.445 3.192 20 30 DGEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC000008485261 431398831 /nfs/dbraw/zinc/39/88/31/431398831.db2.gz MUQIKVBCIZRMFZ-UHFFFAOYSA-N 0 3 305.809 3.415 20 30 DGEDHN C[C@H](C1CC1)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000075683325 431493850 /nfs/dbraw/zinc/49/38/50/431493850.db2.gz WUSIANMJOHRRMY-LLVKDONJSA-N 0 3 317.820 3.413 20 30 DGEDHN CCc1ccc([C@@H](NCC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC000076676749 431561847 /nfs/dbraw/zinc/56/18/47/431561847.db2.gz CSINJGWGUWNDMM-IBGZPJMESA-N 0 3 315.461 3.298 20 30 DGEDHN C=CC[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000116972220 431541629 /nfs/dbraw/zinc/54/16/29/431541629.db2.gz BUWOUHAAPLMEOD-WBVHZDCISA-N 0 3 301.434 3.087 20 30 DGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC(C)(C)CN(C)C ZINC000457246509 280261600 /nfs/dbraw/zinc/26/16/00/280261600.db2.gz RXRKODITXYCVBN-UHFFFAOYSA-N 0 3 315.442 3.151 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000118400040 431602708 /nfs/dbraw/zinc/60/27/08/431602708.db2.gz VIPQKRJIKARTBV-YOEHRIQHSA-N 0 3 321.428 3.037 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000117793437 431580883 /nfs/dbraw/zinc/58/08/83/431580883.db2.gz QHADGTWMRJKTRQ-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCCC(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000119173978 431655724 /nfs/dbraw/zinc/65/57/24/431655724.db2.gz LKDADWUCNVXBRN-UHFFFAOYSA-N 0 3 302.418 3.374 20 30 DGEDHN CN(CCC(=O)Nc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000026328969 431671995 /nfs/dbraw/zinc/67/19/95/431671995.db2.gz RPTJYEBRFXGCHE-UHFFFAOYSA-N 0 3 311.360 3.158 20 30 DGEDHN Cc1ccc(C)c(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c1 ZINC000027208139 431687251 /nfs/dbraw/zinc/68/72/51/431687251.db2.gz XZDYJWDXCMYQRR-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000078759255 431704976 /nfs/dbraw/zinc/70/49/76/431704976.db2.gz ZTYMQVRHVUUFHB-MAUKXSAKSA-N 0 3 307.482 3.189 20 30 DGEDHN CCCCCCC[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000120744751 431733128 /nfs/dbraw/zinc/73/31/28/431733128.db2.gz GFYGHRADVGEGEO-LBPRGKRZSA-N 0 3 306.414 3.112 20 30 DGEDHN CCCCCCCN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120744751 431733133 /nfs/dbraw/zinc/73/31/33/431733133.db2.gz GFYGHRADVGEGEO-LBPRGKRZSA-N 0 3 306.414 3.112 20 30 DGEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000079324902 431722987 /nfs/dbraw/zinc/72/29/87/431722987.db2.gz KKOJDVRIJDPOCX-HOTGVXAUSA-N 0 3 313.445 3.377 20 30 DGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000121368351 431778970 /nfs/dbraw/zinc/77/89/70/431778970.db2.gz IYGDAWBQFSBXDC-GOSISDBHSA-N 0 3 307.397 3.253 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000122234202 431822342 /nfs/dbraw/zinc/82/23/42/431822342.db2.gz ZSDCNUDADIPLNO-CJNGLKHVSA-N 0 3 321.852 3.389 20 30 DGEDHN CCN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CCCO1 ZINC000092407248 431908449 /nfs/dbraw/zinc/90/84/49/431908449.db2.gz CYOQGRHEOTWWGI-SFHVURJKSA-N 0 3 302.418 3.370 20 30 DGEDHN C=CCc1cc(CN(C)C[C@@H]2CCCCO2)cc(OC)c1O ZINC000092427837 431908739 /nfs/dbraw/zinc/90/87/39/431908739.db2.gz SZJFQFKQHYXLNT-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN CN(C)[C@H](CNc1snc(Cl)c1C#N)c1cccs1 ZINC000047405246 431910223 /nfs/dbraw/zinc/91/02/23/431910223.db2.gz KNPGGTNZOVAMPN-SECBINFHSA-N 0 3 312.851 3.444 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1C(C)C ZINC000092693690 431910819 /nfs/dbraw/zinc/91/08/19/431910819.db2.gz MMXOQKBYEWDELM-CYBMUJFWSA-N 0 3 321.384 3.149 20 30 DGEDHN C=CCN1CCC(N[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405876 431914271 /nfs/dbraw/zinc/91/42/71/431914271.db2.gz VNVRFMGERNBHRQ-CYBMUJFWSA-N 0 3 305.491 3.323 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Cl)c1 ZINC000125278616 431919413 /nfs/dbraw/zinc/91/94/13/431919413.db2.gz UETMQANOLRVQNR-WBVHZDCISA-N 0 3 319.836 3.189 20 30 DGEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010778 431904642 /nfs/dbraw/zinc/90/46/42/431904642.db2.gz SAPRHJNFIRFSCZ-UHFFFAOYSA-N 0 3 321.424 3.071 20 30 DGEDHN C=C[C@@H](C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000127402877 431971795 /nfs/dbraw/zinc/97/17/95/431971795.db2.gz XSUVCSACKGBGLO-OAHLLOKOSA-N 0 3 317.433 3.247 20 30 DGEDHN C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000125704849 431933745 /nfs/dbraw/zinc/93/37/45/431933745.db2.gz IGYZKCAWLGKNDW-OAHLLOKOSA-N 0 3 311.404 3.480 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000125833678 431937438 /nfs/dbraw/zinc/93/74/38/431937438.db2.gz HGJBQYQTWUVHGI-HZPDHXFCSA-N 0 3 307.482 3.105 20 30 DGEDHN CC(C)NC(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000049459036 431939873 /nfs/dbraw/zinc/93/98/73/431939873.db2.gz YDXQPVOOZZHULQ-HNNXBMFYSA-N 0 3 322.368 3.102 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1sccc1C#N ZINC000126315432 431946807 /nfs/dbraw/zinc/94/68/07/431946807.db2.gz PMJLJNNMZKBCRK-AWEZNQCLSA-N 0 3 305.447 3.004 20 30 DGEDHN C[C@H](NCCC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000101586930 431986489 /nfs/dbraw/zinc/98/64/89/431986489.db2.gz DWBSKDQHENFRFW-ZDUSSCGKSA-N 0 3 311.360 3.377 20 30 DGEDHN C=CCCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000102240548 431992565 /nfs/dbraw/zinc/99/25/65/431992565.db2.gz DRWLEALZMZVYGA-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C[C@@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)cc1F ZINC000270651777 432271861 /nfs/dbraw/zinc/27/18/61/432271861.db2.gz MCJDVLRIJJORRZ-NHYWBVRUSA-N 0 3 304.390 3.361 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@@H]1C ZINC000248358562 432281825 /nfs/dbraw/zinc/28/18/25/432281825.db2.gz QXZRLEGYCAPSQK-ILXRZTDVSA-N 0 3 317.408 3.191 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@H]1Oc1ccccc1 ZINC000248577921 432303480 /nfs/dbraw/zinc/30/34/80/432303480.db2.gz URHSKKOYTXRLIA-XUVXKRRUSA-N 0 3 322.408 3.273 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000248430696 432289730 /nfs/dbraw/zinc/28/97/30/432289730.db2.gz PWRPBSUPROVYLT-RYQLBKOJSA-N 0 3 319.493 3.247 20 30 DGEDHN C[C@H](O)[C@@](C)(CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000191709850 432293254 /nfs/dbraw/zinc/29/32/54/432293254.db2.gz PERMAQGIZKBKIX-KBXCAEBGSA-N 0 3 314.454 3.339 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000183140745 432262426 /nfs/dbraw/zinc/26/24/26/432262426.db2.gz TVCSZYALBCHBQD-HOTGVXAUSA-N 0 3 315.461 3.131 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000248777787 432317941 /nfs/dbraw/zinc/31/79/41/432317941.db2.gz HSHVCINCJWNZTN-XPKDYRNWSA-N 0 3 317.820 3.117 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1(O)CCCC1 ZINC000152292456 432322451 /nfs/dbraw/zinc/32/24/51/432322451.db2.gz YKUDAFKMVSQJMP-UHFFFAOYSA-N 0 3 311.347 3.294 20 30 DGEDHN C#CCCCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000192038404 432327810 /nfs/dbraw/zinc/32/78/10/432327810.db2.gz YAXVZTZGEPLJOP-MRXNPFEDSA-N 0 3 318.486 3.441 20 30 DGEDHN C=CCOc1cccc(CN2CCC3(C[C@@H]3C(=O)OC)CC2)c1 ZINC000271175119 432344084 /nfs/dbraw/zinc/34/40/84/432344084.db2.gz JBZGHKWPVZNDKR-QGZVFWFLSA-N 0 3 315.413 3.027 20 30 DGEDHN N#Cc1ccc(CNCCc2nc(-c3ccccn3)cs2)o1 ZINC000174412501 432344957 /nfs/dbraw/zinc/34/49/57/432344957.db2.gz MLHWHYKZUREZSQ-UHFFFAOYSA-N 0 3 310.382 3.002 20 30 DGEDHN CN1CCC[C@H](CNCc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000174460234 432349529 /nfs/dbraw/zinc/34/95/29/432349529.db2.gz DIBBJPIRORKHML-CXAGYDPISA-N 0 3 315.442 3.385 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC000248609435 432307502 /nfs/dbraw/zinc/30/75/02/432307502.db2.gz VYGOERWRXKQGJY-KZNAEPCWSA-N 0 3 322.493 3.006 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)s1 ZINC000252802473 432387976 /nfs/dbraw/zinc/38/79/76/432387976.db2.gz MPICXJGJQVEVJX-GUYCJALGSA-N 0 3 301.459 3.068 20 30 DGEDHN C=CCN(C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000271419868 432392159 /nfs/dbraw/zinc/39/21/59/432392159.db2.gz LKIYWOKFSPUQTL-UHFFFAOYSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000175078524 432395985 /nfs/dbraw/zinc/39/59/85/432395985.db2.gz QPUKYRDHWCZXLG-SFHVURJKSA-N 0 3 316.445 3.305 20 30 DGEDHN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(OCC#N)cc1 ZINC000271448826 432397271 /nfs/dbraw/zinc/39/72/71/432397271.db2.gz HZSQJUMZLPGHOX-SUMWQHHRSA-N 0 3 310.401 3.051 20 30 DGEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192338377 432361823 /nfs/dbraw/zinc/36/18/23/432361823.db2.gz QFYNSUUSHJBKGC-MJGOQNOKSA-N 0 3 312.457 3.301 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC000152854912 432362058 /nfs/dbraw/zinc/36/20/58/432362058.db2.gz WYTBECRGYQJCIF-LJQANCHMSA-N 0 3 312.457 3.337 20 30 DGEDHN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000192936526 432431253 /nfs/dbraw/zinc/43/12/53/432431253.db2.gz OKUIVKYPFKSNSG-CYBMUJFWSA-N 0 3 310.353 3.168 20 30 DGEDHN C=C(C)CN1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153731837 432437691 /nfs/dbraw/zinc/43/76/91/432437691.db2.gz WZTGIGQSCBJNEU-UHFFFAOYSA-N 0 3 310.785 3.096 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000175480686 432440178 /nfs/dbraw/zinc/44/01/78/432440178.db2.gz FMYJLZHQBBRNAI-HNNXBMFYSA-N 0 3 306.475 3.433 20 30 DGEDHN C[C@@H](CO)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193077592 432445781 /nfs/dbraw/zinc/44/57/81/432445781.db2.gz QVCPJRIILCWLRD-KRWDZBQOSA-N 0 3 308.425 3.199 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NC[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000192812883 432419333 /nfs/dbraw/zinc/41/93/33/432419333.db2.gz NXMVYBOIUHRNAV-NWANDNLSSA-N 0 3 312.335 3.108 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1 ZINC000271880467 432426633 /nfs/dbraw/zinc/42/66/33/432426633.db2.gz GBXOZFISCLCUCM-MRXNPFEDSA-N 0 3 321.424 3.003 20 30 DGEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000193959520 432512475 /nfs/dbraw/zinc/51/24/75/432512475.db2.gz WCMQERMPXQVRKF-WMZOPIPTSA-N 0 3 313.445 3.444 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185317977 432490446 /nfs/dbraw/zinc/49/04/46/432490446.db2.gz FJOVHGYMZWYZSU-GOSISDBHSA-N 0 3 312.457 3.063 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCc2cccc(OC)c2CC1 ZINC000193709823 432492890 /nfs/dbraw/zinc/49/28/90/432492890.db2.gz OPATWROSHPJJJI-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN N#Cc1ccc(N2CCN([C@H]3CCCc4ccccc43)CC2)nc1 ZINC000193767430 432496641 /nfs/dbraw/zinc/49/66/41/432496641.db2.gz ZUFMWSSOAAYLCE-IBGZPJMESA-N 0 3 318.424 3.153 20 30 DGEDHN N#CC(C(=O)c1cccnc1)c1nc2ccccc2n1C(F)F ZINC000193286229 432463568 /nfs/dbraw/zinc/46/35/68/432463568.db2.gz QWVHQTLBJYLZSB-LLVKDONJSA-N 0 3 312.279 3.316 20 30 DGEDHN CC#CCCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000185747999 432530904 /nfs/dbraw/zinc/53/09/04/432530904.db2.gz WRLQVAOXEHYNHX-LJQANCHMSA-N 0 3 312.457 3.303 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000185856903 432539337 /nfs/dbraw/zinc/53/93/37/432539337.db2.gz KVWQBJMRMAJJIC-CMPLNLGQSA-N 0 3 324.327 3.189 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000185856939 432539488 /nfs/dbraw/zinc/53/94/88/432539488.db2.gz KVWQBJMRMAJJIC-ZYHUDNBSSA-N 0 3 324.327 3.189 20 30 DGEDHN N#CCCN(CC1CC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000264016535 432605485 /nfs/dbraw/zinc/60/54/85/432605485.db2.gz DLQGFDFQENZDDT-UHFFFAOYSA-N 0 3 311.429 3.048 20 30 DGEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C1CC1)C1CC1 ZINC000195228458 432612043 /nfs/dbraw/zinc/61/20/43/432612043.db2.gz UMLOPIZXUFKDEL-UHFFFAOYSA-N 0 3 317.820 3.271 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(Cn3cccn3)cc2)s1 ZINC000176943543 432567710 /nfs/dbraw/zinc/56/77/10/432567710.db2.gz ZFZQUVFGHRZIJO-UHFFFAOYSA-N 0 3 308.410 3.154 20 30 DGEDHN COc1cccc([C@@H](CNCc2ccc(C#N)s2)N(C)C)c1 ZINC000176940596 432568261 /nfs/dbraw/zinc/56/82/61/432568261.db2.gz IYCGGEYMDSLKRJ-QGZVFWFLSA-N 0 3 315.442 3.021 20 30 DGEDHN C=CCOc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000195378211 432619870 /nfs/dbraw/zinc/61/98/70/432619870.db2.gz OSRYOXMIXJGADI-UHFFFAOYSA-N 0 3 300.402 3.064 20 30 DGEDHN C#Cc1cccc(N(C(=O)C2CCN(C3CC3)CC2)C(C)C)c1 ZINC000195457096 432623412 /nfs/dbraw/zinc/62/34/12/432623412.db2.gz IMBMUORDDXGOBO-UHFFFAOYSA-N 0 3 310.441 3.284 20 30 DGEDHN CCOC(=O)C[C@@](C)(NCC#Cc1ccc(F)cc1)C(C)C ZINC000186697271 432623824 /nfs/dbraw/zinc/62/38/24/432623824.db2.gz DOAVGHXGIHXXDX-GOSISDBHSA-N 0 3 305.393 3.135 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1/N=C/c1cccc(O)c1O ZINC000274068245 432633898 /nfs/dbraw/zinc/63/38/98/432633898.db2.gz KDNLIMRUJBSAJC-UOOYZNIZSA-N 0 3 310.397 3.037 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000195686886 432634705 /nfs/dbraw/zinc/63/47/05/432634705.db2.gz PCKZRKYPYAGUJU-IBGZPJMESA-N 0 3 311.425 3.287 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](C)c2ccccc2)CC1 ZINC000264388786 432641370 /nfs/dbraw/zinc/64/13/70/432641370.db2.gz WJCPPKBFJAGPCO-MRXNPFEDSA-N 0 3 315.461 3.082 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1 ZINC000187003091 432641407 /nfs/dbraw/zinc/64/14/07/432641407.db2.gz QZOTVJOURBMECB-QGZVFWFLSA-N 0 3 300.446 3.289 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CCCN(Cc2ccccc2)CC1 ZINC000158308533 432642362 /nfs/dbraw/zinc/64/23/62/432642362.db2.gz PAFMMWJVVKJNQM-UHFFFAOYSA-N 0 3 323.415 3.405 20 30 DGEDHN C=CCN1CCC(NC(=O)c2occc2-c2ccccc2)CC1 ZINC000264496406 432652087 /nfs/dbraw/zinc/65/20/87/432652087.db2.gz PEEBFVWWSWQURE-UHFFFAOYSA-N 0 3 310.397 3.327 20 30 DGEDHN C[C@@H](CCNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000177697033 432653063 /nfs/dbraw/zinc/65/30/63/432653063.db2.gz IJGNKEDRKMQMNG-NSHDSACASA-N 0 3 309.435 3.013 20 30 DGEDHN C[C@@H](NC(=O)c1sccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000187270225 432654849 /nfs/dbraw/zinc/65/48/49/432654849.db2.gz HMVXDUSGAYJRRS-DOMZBBRYSA-N 0 3 313.426 3.041 20 30 DGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)N(C)C ZINC000264535132 432655091 /nfs/dbraw/zinc/65/50/91/432655091.db2.gz KZEAGSBBWGUWEK-STQMWFEESA-N 0 3 320.462 3.010 20 30 DGEDHN C[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)N(C)C ZINC000264535130 432655907 /nfs/dbraw/zinc/65/59/07/432655907.db2.gz KZEAGSBBWGUWEK-QWHCGFSZSA-N 0 3 320.462 3.010 20 30 DGEDHN C=CCN1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265164385 432669888 /nfs/dbraw/zinc/66/98/88/432669888.db2.gz FQRYUCHCTVNPQK-UHFFFAOYSA-N 0 3 310.323 3.034 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264997825 432665504 /nfs/dbraw/zinc/66/55/04/432665504.db2.gz YPYGYLIVSWBOJY-INIZCTEOSA-N 0 3 320.392 3.452 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000177857004 432667915 /nfs/dbraw/zinc/66/79/15/432667915.db2.gz DNRHUKOVEOTBLQ-DNVCBOLYSA-N 0 3 323.415 3.450 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160206185 432709715 /nfs/dbraw/zinc/70/97/15/432709715.db2.gz PFQDHCSPIJOZLH-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN C#CCCOc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000188259478 432715017 /nfs/dbraw/zinc/71/50/17/432715017.db2.gz FNSGSXDJBOWLOQ-FQEVSTJZSA-N 0 3 313.441 3.480 20 30 DGEDHN C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1-c1ccccc1 ZINC000187651429 432675231 /nfs/dbraw/zinc/67/52/31/432675231.db2.gz AZAGPFDBCCGQOK-CQSZACIVSA-N 0 3 314.458 3.175 20 30 DGEDHN C[C@@H](NC[C@H](O)c1ccsc1)c1ccc(OCC#N)cc1 ZINC000224671321 432682980 /nfs/dbraw/zinc/68/29/80/432682980.db2.gz PCNBXZPQVKUUQR-WBMJQRKESA-N 0 3 302.399 3.035 20 30 DGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H](N2CC=CC2)C1 ZINC000266217638 432756097 /nfs/dbraw/zinc/75/60/97/432756097.db2.gz HFPKPIOGNOHCQI-INIZCTEOSA-N 0 3 322.387 3.005 20 30 DGEDHN N#Cc1cccc(COc2cccc(CNC3(CO)CCC3)c2)c1 ZINC000178640554 432761433 /nfs/dbraw/zinc/76/14/33/432761433.db2.gz BWFHULKRFWGMHD-UHFFFAOYSA-N 0 3 322.408 3.142 20 30 DGEDHN CCCN(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000161223907 432765999 /nfs/dbraw/zinc/76/59/99/432765999.db2.gz ZJALVABKDWZFGK-UHFFFAOYSA-N 0 3 324.424 3.342 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cccc(C#N)n1 ZINC000267188487 432820500 /nfs/dbraw/zinc/82/05/00/432820500.db2.gz GXZDKWGQLUKIAA-CRAIPNDOSA-N 0 3 306.413 3.276 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2ccccc2)CC1 ZINC000245401974 432827283 /nfs/dbraw/zinc/82/72/83/432827283.db2.gz GKVVILHMOFHVBI-SJLPKXTDSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCOc1ccc(CNCCC(O)(CC)CC)cc1OC ZINC000276227987 432785470 /nfs/dbraw/zinc/78/54/70/432785470.db2.gz NBDOUAHWRKCYOI-UHFFFAOYSA-N 0 3 307.434 3.291 20 30 DGEDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000189487773 432791524 /nfs/dbraw/zinc/79/15/24/432791524.db2.gz FPMDEYPPBZRZME-CVEARBPZSA-N 0 3 317.458 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3C)CCC2)CC1 ZINC000276441559 432808249 /nfs/dbraw/zinc/80/82/49/432808249.db2.gz HLDBLYNEBWRYJD-UHFFFAOYSA-N 0 3 312.457 3.183 20 30 DGEDHN CC[C@@]1(CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000189686559 432810037 /nfs/dbraw/zinc/81/00/37/432810037.db2.gz OCPHVGDSLFRYNR-INIZCTEOSA-N 0 3 311.347 3.294 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288609367 432895590 /nfs/dbraw/zinc/89/55/90/432895590.db2.gz ZIILTJGYFVIBNC-OAQYLSRUSA-N 0 3 324.468 3.161 20 30 DGEDHN N#Cc1cccc(CN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277772363 432875608 /nfs/dbraw/zinc/87/56/08/432875608.db2.gz NDEHVUWPAQBOOI-UHFFFAOYSA-N 0 3 320.436 3.375 20 30 DGEDHN CC(C)(C#N)CCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000277803189 432876676 /nfs/dbraw/zinc/87/66/76/432876676.db2.gz UGBZMMOXMUOXLX-QGZVFWFLSA-N 0 3 313.445 3.270 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000329919040 432883231 /nfs/dbraw/zinc/88/32/31/432883231.db2.gz RJVKVGQDBAEZIW-VNHYZAJKSA-N 0 3 317.820 3.117 20 30 DGEDHN Cc1nn(C(C)(C)C)cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329958268 432885383 /nfs/dbraw/zinc/88/53/83/432885383.db2.gz PXGOCVKBNKXVEA-HNNXBMFYSA-N 0 3 318.465 3.268 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296249385 432888765 /nfs/dbraw/zinc/88/87/65/432888765.db2.gz XUNOESOWJYZWME-ARFHVFGLSA-N 0 3 302.805 3.259 20 30 DGEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330054295 432891107 /nfs/dbraw/zinc/89/11/07/432891107.db2.gz RTKFAVVJDPWDAU-JKSUJKDBSA-N 0 3 318.465 3.152 20 30 DGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cc2ccccc2n1 ZINC000330105592 432893389 /nfs/dbraw/zinc/89/33/89/432893389.db2.gz JQXWJYKRCBDQFB-HUUCEWRRSA-N 0 3 314.433 3.113 20 30 DGEDHN C=CCCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288518545 432894257 /nfs/dbraw/zinc/89/42/57/432894257.db2.gz TVJDKVHUKXSTDA-FQEVSTJZSA-N 0 3 312.457 3.467 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(C)cs2)CC1 ZINC000330666434 432923956 /nfs/dbraw/zinc/92/39/56/432923956.db2.gz XHELWGWFCRTJOK-ZDUSSCGKSA-N 0 3 322.478 3.057 20 30 DGEDHN CCn1nccc1C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000279031289 432928103 /nfs/dbraw/zinc/92/81/03/432928103.db2.gz HWOIMOSHSCPLOW-UHFFFAOYSA-N 0 3 324.428 3.033 20 30 DGEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000331295476 432937767 /nfs/dbraw/zinc/93/77/67/432937767.db2.gz RZRIHUUOLIXFPG-FIKGOQFSSA-N 0 3 304.459 3.036 20 30 DGEDHN C#Cc1ccc(CN[C@@H](CCC(=O)OC)c2ccccc2)cc1 ZINC000289347824 432947109 /nfs/dbraw/zinc/94/71/09/432947109.db2.gz WZQNOTUCHZRZPL-IBGZPJMESA-N 0 3 307.393 3.452 20 30 DGEDHN COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1OC(F)F ZINC000278604619 432898607 /nfs/dbraw/zinc/89/86/07/432898607.db2.gz MCNZBYQAUKMJJO-YPMHNXCESA-N 0 3 310.344 3.421 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000278868992 432911068 /nfs/dbraw/zinc/91/10/68/432911068.db2.gz WVGNWPZVXZAXQQ-BYCMXARLSA-N 0 3 323.234 3.154 20 30 DGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000330553747 432917383 /nfs/dbraw/zinc/91/73/83/432917383.db2.gz GIOYLVUGOOVEAF-MJBXVCDLSA-N 0 3 319.405 3.266 20 30 DGEDHN C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N1CCC(C)CC1 ZINC000330568965 432917654 /nfs/dbraw/zinc/91/76/54/432917654.db2.gz NNOMVLARSZTTLX-CQSZACIVSA-N 0 3 306.454 3.063 20 30 DGEDHN CCc1ccc([O-])c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000330601639 432918886 /nfs/dbraw/zinc/91/88/86/432918886.db2.gz IKBKPTBJWROZPE-OAHLLOKOSA-N 0 3 304.434 3.380 20 30 DGEDHN CCc1ccc([O-])c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000330601639 432918889 /nfs/dbraw/zinc/91/88/89/432918889.db2.gz IKBKPTBJWROZPE-OAHLLOKOSA-N 0 3 304.434 3.380 20 30 DGEDHN N#Cc1cccc(CN2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289454519 432964474 /nfs/dbraw/zinc/96/44/74/432964474.db2.gz LIVZSKHEPXFSQM-IBGZPJMESA-N 0 3 303.409 3.195 20 30 DGEDHN C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279406131 432965203 /nfs/dbraw/zinc/96/52/03/432965203.db2.gz MZMICCHGRMRJLJ-HNNXBMFYSA-N 0 3 309.417 3.091 20 30 DGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000289672947 432970946 /nfs/dbraw/zinc/97/09/46/432970946.db2.gz HHGGFRLCOHGXKJ-KOLCDFICSA-N 0 3 303.374 3.207 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000289995602 432983072 /nfs/dbraw/zinc/98/30/72/432983072.db2.gz YTGMGEHBJPCNSE-ZYHUDNBSSA-N 0 3 306.406 3.455 20 30 DGEDHN CC1(C#N)CCN(C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279595243 432987794 /nfs/dbraw/zinc/98/77/94/432987794.db2.gz DTZWQYSRLBDKHX-IBGZPJMESA-N 0 3 308.425 3.369 20 30 DGEDHN CCN(Cc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279753466 432991229 /nfs/dbraw/zinc/99/12/29/432991229.db2.gz QPLXHRWZKQYJQW-MRXNPFEDSA-N 0 3 323.421 3.351 20 30 DGEDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000279810133 432992752 /nfs/dbraw/zinc/99/27/52/432992752.db2.gz XEPCLDVCMOSQAT-HNAYVOBHSA-N 0 3 310.397 3.455 20 30 DGEDHN CC(C)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280217152 433017274 /nfs/dbraw/zinc/01/72/74/433017274.db2.gz ALHYPGWTXGAZCR-QZTJIDSGSA-N 0 3 309.413 3.135 20 30 DGEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1Br ZINC000297906451 433031236 /nfs/dbraw/zinc/03/12/36/433031236.db2.gz PGIWOTWCJNOKAW-UHFFFAOYSA-N 0 3 323.234 3.452 20 30 DGEDHN C[C@H](CCC#N)N(C)C[C@@H](O)c1ccccc1Br ZINC000298070248 433046377 /nfs/dbraw/zinc/04/63/77/433046377.db2.gz GXYMOFJYKVRRGZ-BXUZGUMPSA-N 0 3 311.223 3.107 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000298067287 433046780 /nfs/dbraw/zinc/04/67/80/433046780.db2.gz ARFBYSIIQWUXDQ-GOSISDBHSA-N 0 3 315.367 3.229 20 30 DGEDHN CN(C[C@H](O)c1cccc(Br)c1)[C@H]1CC[C@H](C#N)C1 ZINC000298096487 433047472 /nfs/dbraw/zinc/04/74/72/433047472.db2.gz INVBUEAVBUWQPX-CQDKDKBSSA-N 0 3 323.234 3.107 20 30 DGEDHN N#Cc1cccc(CCNCc2ccnn2-c2ccccc2)c1 ZINC000341451987 433067234 /nfs/dbraw/zinc/06/72/34/433067234.db2.gz FYTJSNGCQCMJDE-UHFFFAOYSA-N 0 3 302.381 3.076 20 30 DGEDHN N#Cc1cccc(CCNCc2cnn(-c3ccccc3)c2)c1 ZINC000341472597 433079887 /nfs/dbraw/zinc/07/98/87/433079887.db2.gz CSKWBNLNGMGQHD-UHFFFAOYSA-N 0 3 302.381 3.076 20 30 DGEDHN C=CCC(F)(F)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000298294636 433080523 /nfs/dbraw/zinc/08/05/23/433080523.db2.gz IDTCTZHDCYHGHO-AWEZNQCLSA-N 0 3 306.356 3.209 20 30 DGEDHN CC(C)(NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000298284119 433082717 /nfs/dbraw/zinc/08/27/17/433082717.db2.gz XGFFPSMDDUKDBP-UHFFFAOYSA-N 0 3 307.397 3.412 20 30 DGEDHN CCC[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000341551778 433127855 /nfs/dbraw/zinc/12/78/55/433127855.db2.gz GDJUSBVYHUUUOG-FUHWJXTLSA-N 0 3 311.429 3.176 20 30 DGEDHN CC(C)[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000298436467 433136646 /nfs/dbraw/zinc/13/66/46/433136646.db2.gz AXZHQKHZHYHSLO-FQEVSTJZSA-N 0 3 321.424 3.161 20 30 DGEDHN C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000425119928 433101420 /nfs/dbraw/zinc/10/14/20/433101420.db2.gz AKQVEGVEFCWGRG-HZPDHXFCSA-N 0 3 313.445 3.342 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2sc(Br)cc21 ZINC000453345384 433106869 /nfs/dbraw/zinc/10/68/69/433106869.db2.gz FYKZEAYNTRFIIU-MXWKQRLJSA-N 0 3 314.248 3.431 20 30 DGEDHN C[C@@H](NCCCSCC#N)c1ccc(Br)cn1 ZINC000280622366 433112153 /nfs/dbraw/zinc/11/21/53/433112153.db2.gz WRQSGCKLKWSPCR-SNVBAGLBSA-N 0 3 314.252 3.142 20 30 DGEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1Br ZINC000298531412 433167683 /nfs/dbraw/zinc/16/76/83/433167683.db2.gz MEJXPZSBNCXEQL-UHFFFAOYSA-N 0 3 323.234 3.121 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000280806752 433179376 /nfs/dbraw/zinc/17/93/76/433179376.db2.gz SNUXJLUDVCRMHJ-UHFFFAOYSA-N 0 3 317.433 3.044 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000374301327 433183165 /nfs/dbraw/zinc/18/31/65/433183165.db2.gz JAHHQJGWLPABQN-UHFFFAOYSA-N 0 3 309.413 3.191 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000298602707 433190085 /nfs/dbraw/zinc/19/00/85/433190085.db2.gz LKCSWEURHAIPSR-AWEZNQCLSA-N 0 3 309.417 3.343 20 30 DGEDHN CCN(CC1CCC1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000361487089 433200546 /nfs/dbraw/zinc/20/05/46/433200546.db2.gz UJZJTUGLOHHZFU-WUJZJPHMSA-N 0 3 319.493 3.428 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)C)nc2C)nc(C)n1 ZINC000453575229 433212835 /nfs/dbraw/zinc/21/28/35/433212835.db2.gz DAIBQORRNOATPO-HNNXBMFYSA-N 0 3 308.385 3.410 20 30 DGEDHN C=CC[C@H](CO)CNCc1sc(C)cc1Br ZINC000453576101 433214555 /nfs/dbraw/zinc/21/45/55/433214555.db2.gz UYMCPLJZYGYIBT-JTQLQIEISA-N 0 3 304.253 3.093 20 30 DGEDHN CC[C@H](NCc1ccc(C(=O)NC)cc1)c1ccc(C#N)cc1 ZINC000447535734 433217825 /nfs/dbraw/zinc/21/78/25/433217825.db2.gz HZEGLWMAJVQISF-SFHVURJKSA-N 0 3 307.397 3.159 20 30 DGEDHN C[C@H](NCCN1CCCC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000447561625 433227020 /nfs/dbraw/zinc/22/70/20/433227020.db2.gz BVVDDHAXCIGDAK-AWEZNQCLSA-N 0 3 303.425 3.470 20 30 DGEDHN Cc1cc(Cl)cc(C#N)c1Oc1ncnc2c1CN(C)CC2 ZINC000420642967 433240689 /nfs/dbraw/zinc/24/06/89/433240689.db2.gz PPHIHTYCPKSSGF-UHFFFAOYSA-N 0 3 314.776 3.090 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)OCCO2 ZINC000341762978 433257771 /nfs/dbraw/zinc/25/77/71/433257771.db2.gz WSPFBVZMTJVVLA-SFHVURJKSA-N 0 3 320.392 3.497 20 30 DGEDHN CN(CCCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000281560619 433311060 /nfs/dbraw/zinc/31/10/60/433311060.db2.gz CSDBHYOACREBQP-UHFFFAOYSA-N 0 3 308.425 3.201 20 30 DGEDHN C=CCC1(C(=O)Nc2ccc(OCCN(C)C)cc2F)CCC1 ZINC000413913731 433313484 /nfs/dbraw/zinc/31/34/84/433313484.db2.gz KXJQUWNPQOIBHV-UHFFFAOYSA-N 0 3 320.408 3.451 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000361713634 433353505 /nfs/dbraw/zinc/35/35/05/433353505.db2.gz ZNLHVTVLQHONHN-UHFFFAOYSA-N 0 3 312.388 3.388 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2c(F)cccc2SCC)CC1 ZINC000291727961 433328586 /nfs/dbraw/zinc/32/85/86/433328586.db2.gz RBRJTUABOJWLFN-UHFFFAOYSA-N 0 3 320.433 3.221 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1nc(C)cs1)C(C)C ZINC000339060570 433335411 /nfs/dbraw/zinc/33/54/11/433335411.db2.gz LDHPVFKHHFJGOP-CQSZACIVSA-N 0 3 322.478 3.272 20 30 DGEDHN COc1cc2nccc(N3CCC(C)(C#N)CC3)c2cc1OC ZINC000299165310 433337155 /nfs/dbraw/zinc/33/71/55/433337155.db2.gz ZRPIFUPVPCRAAT-UHFFFAOYSA-N 0 3 311.385 3.382 20 30 DGEDHN CCOCc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281788147 433381987 /nfs/dbraw/zinc/38/19/87/433381987.db2.gz UEVQKKLKERNREM-UHFFFAOYSA-N 0 3 310.397 3.393 20 30 DGEDHN N#Cc1ccc(NCC2(N3CCSCC3)CCCC2)cc1 ZINC000301079599 433406367 /nfs/dbraw/zinc/40/63/67/433406367.db2.gz KDNVHNSPGGMIIT-UHFFFAOYSA-N 0 3 301.459 3.332 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000281946694 433438825 /nfs/dbraw/zinc/43/88/25/433438825.db2.gz JIDZAELRSHIXRW-IRXDYDNUSA-N 0 3 302.393 3.043 20 30 DGEDHN CC(C)(CNc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000301258657 433477106 /nfs/dbraw/zinc/47/71/06/433477106.db2.gz FFZZGRCSEPBKRL-UHFFFAOYSA-N 0 3 306.413 3.202 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ccccc3c2C)nc(C)n1 ZINC000361995904 433483610 /nfs/dbraw/zinc/48/36/10/433483610.db2.gz IGOCSJLHNBQBJC-HNNXBMFYSA-N 0 3 316.364 3.440 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000454623071 433517913 /nfs/dbraw/zinc/51/79/13/433517913.db2.gz RHRDDTUOBROYRX-FUHWJXTLSA-N 0 3 315.461 3.162 20 30 DGEDHN C=C(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000454623077 433519479 /nfs/dbraw/zinc/51/94/79/433519479.db2.gz RHRDDTUOBROYRX-WMZOPIPTSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCOc1ccc(CC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000448687597 433495982 /nfs/dbraw/zinc/49/59/82/433495982.db2.gz VFLIZNFOMNCWDI-UHFFFAOYSA-N 0 3 324.424 3.494 20 30 DGEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)C1CC(O)C1 ZINC000355367033 433540770 /nfs/dbraw/zinc/54/07/70/433540770.db2.gz HTRXUPJSMWTUAA-UHFFFAOYSA-N 0 3 322.408 3.092 20 30 DGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000375740437 433549837 /nfs/dbraw/zinc/54/98/37/433549837.db2.gz FGAIDPOZLNWDHO-YSIASYRMSA-N 0 3 323.440 3.338 20 30 DGEDHN N#Cc1ccc(O[C@@H]2CCN(CCCCC(F)(F)F)C2)nc1 ZINC000292334624 433556830 /nfs/dbraw/zinc/55/68/30/433556830.db2.gz WNSPGZTVIOPXEI-CYBMUJFWSA-N 0 3 313.323 3.139 20 30 DGEDHN Cn1cc(CN[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000342257787 433566355 /nfs/dbraw/zinc/56/63/55/433566355.db2.gz XJZKJXRUSMWVKV-ZWKOTPCHSA-N 0 3 309.413 3.232 20 30 DGEDHN COc1cc(CN(CCO)[C@@H]2CCc3ccccc32)ccc1C#N ZINC000282330489 433568888 /nfs/dbraw/zinc/56/88/88/433568888.db2.gz OCNHFQYLCFCOKF-LJQANCHMSA-N 0 3 322.408 3.049 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000351565907 433581020 /nfs/dbraw/zinc/58/10/20/433581020.db2.gz APVNZGNJAAXDRR-UHFFFAOYSA-N 0 3 300.427 3.311 20 30 DGEDHN N#Cc1ccc(NCC2(N3CCSCC3)CCCCC2)cn1 ZINC000301501152 433583413 /nfs/dbraw/zinc/58/34/13/433583413.db2.gz GCTOSSAVQDTXFA-UHFFFAOYSA-N 0 3 316.474 3.117 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000282751519 433627811 /nfs/dbraw/zinc/62/78/11/433627811.db2.gz AUQUXPIRAVYSEJ-BYCMXARLSA-N 0 3 323.234 3.154 20 30 DGEDHN C=CCC1(CNCc2ccc(S(C)(=O)=O)s2)CCCC1 ZINC000414471766 433634873 /nfs/dbraw/zinc/63/48/73/433634873.db2.gz RSAUIVXFTCMROR-UHFFFAOYSA-N 0 3 313.488 3.378 20 30 DGEDHN CN(C)CCN(Cc1ccccc1F)c1cccc(F)c1C#N ZINC000301622601 433646169 /nfs/dbraw/zinc/64/61/69/433646169.db2.gz FVTAESNAVHJBIB-UHFFFAOYSA-N 0 3 315.367 3.405 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccccc2Cl)cc1 ZINC000342311847 433610159 /nfs/dbraw/zinc/61/01/59/433610159.db2.gz JQHORMYOHBBPDS-HNNXBMFYSA-N 0 3 300.789 3.077 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cccc2Cl)CC1 ZINC000448919380 433611893 /nfs/dbraw/zinc/61/18/93/433611893.db2.gz AJYDIYWGFXGORY-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(CCC)CCN(C)C ZINC000362389724 433680544 /nfs/dbraw/zinc/68/05/44/433680544.db2.gz PSVODYYLTJWKLT-UHFFFAOYSA-N 0 3 306.475 3.379 20 30 DGEDHN C=CCC[C@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000421713176 433700159 /nfs/dbraw/zinc/70/01/59/433700159.db2.gz RYRWGPYFEDEORD-ROUUACIJSA-N 0 3 300.446 3.289 20 30 DGEDHN C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCN1C ZINC000428171675 433751169 /nfs/dbraw/zinc/75/11/69/433751169.db2.gz UJZWXTNISRRCDU-BBRMVZONSA-N 0 3 312.461 3.462 20 30 DGEDHN C=CCCN(C)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000342716392 433755399 /nfs/dbraw/zinc/75/53/99/433755399.db2.gz DHKVVRZYRYMOFB-CYBMUJFWSA-N 0 3 317.458 3.151 20 30 DGEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3cc(C#N)n(C)c3)C2)c1 ZINC000449754947 433768249 /nfs/dbraw/zinc/76/82/49/433768249.db2.gz LBFFNRFKUIKHBL-QAQDUYKDSA-N 0 3 309.413 3.283 20 30 DGEDHN CC1(C)CN(Cc2cccc(OCCCC#N)c2)[C@@H]2COC[C@@H]21 ZINC000449778932 433793790 /nfs/dbraw/zinc/79/37/90/433793790.db2.gz CKVNRPDFLQMSEA-ZWKOTPCHSA-N 0 3 314.429 3.226 20 30 DGEDHN C=CCN1CCC(Nc2ccc(Br)c(C)n2)CC1 ZINC000302076058 433814404 /nfs/dbraw/zinc/81/44/04/433814404.db2.gz JFOMMTXTPBQZCU-UHFFFAOYSA-N 0 3 310.239 3.215 20 30 DGEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](CC)O1 ZINC000421988203 433833058 /nfs/dbraw/zinc/83/30/58/433833058.db2.gz UUKHYKBEANEGAO-KZNAEPCWSA-N 0 3 314.429 3.175 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376953644 433840260 /nfs/dbraw/zinc/84/02/60/433840260.db2.gz GVIPQDDZSHQIPQ-LJQANCHMSA-N 0 3 312.457 3.208 20 30 DGEDHN C=C(CC)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000456825426 433844931 /nfs/dbraw/zinc/84/49/31/433844931.db2.gz HLYLSPRRBSMERA-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN CC(C)(C#N)c1ccc(NC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000414823659 433863563 /nfs/dbraw/zinc/86/35/63/433863563.db2.gz IRNIGYMBPZUPSH-KRWDZBQOSA-N 0 3 322.412 3.309 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C#N)cccc1C#N ZINC000302906932 433903086 /nfs/dbraw/zinc/90/30/86/433903086.db2.gz XIBJHOVFECFOER-BEFAXECRSA-N 0 3 316.408 3.362 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1OC ZINC000284999344 433913932 /nfs/dbraw/zinc/91/39/32/433913932.db2.gz JHKODPKCBFVFNZ-IRXDYDNUSA-N 0 3 317.429 3.403 20 30 DGEDHN CC[C@@](C)(C#N)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000285319926 433925118 /nfs/dbraw/zinc/92/51/18/433925118.db2.gz WLHOUOQWOWXGBT-KRWDZBQOSA-N 0 3 319.474 3.016 20 30 DGEDHN N#Cc1cccc(C#N)c1N1CCN(CC2CCCCC2)CC1 ZINC000302877372 433894064 /nfs/dbraw/zinc/89/40/64/433894064.db2.gz GMTGUYKTNHNIQX-UHFFFAOYSA-N 0 3 308.429 3.132 20 30 DGEDHN CC(C)[C@@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(C)C ZINC000293995917 433957259 /nfs/dbraw/zinc/95/72/59/433957259.db2.gz RSFRGQZBXNHHRV-SJORKVTESA-N 0 3 309.413 3.134 20 30 DGEDHN CC1(C)CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000303833658 433964547 /nfs/dbraw/zinc/96/45/47/433964547.db2.gz AEJXHLAHABQURX-KRWDZBQOSA-N 0 3 311.429 3.176 20 30 DGEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000457082168 433976619 /nfs/dbraw/zinc/97/66/19/433976619.db2.gz DRZRVJOCJPYQIJ-QGZVFWFLSA-N 0 3 313.445 3.042 20 30 DGEDHN C=CCC1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000450122987 433982854 /nfs/dbraw/zinc/98/28/54/433982854.db2.gz UESDXWWLKISWGR-CALCHBBNSA-N 0 3 322.493 3.129 20 30 DGEDHN N#CCCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285532662 433986064 /nfs/dbraw/zinc/98/60/64/433986064.db2.gz PXLUSYQJODDDCM-UHFFFAOYSA-N 0 3 301.365 3.234 20 30 DGEDHN C=CCC1(C(=O)NC2CCN(CCOC(C)C)CC2)CCCC1 ZINC000450031662 433936342 /nfs/dbraw/zinc/93/63/42/433936342.db2.gz HUQCRCNSPNGAPY-UHFFFAOYSA-N 0 3 322.493 3.129 20 30 DGEDHN CCC[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000345827848 433940610 /nfs/dbraw/zinc/94/06/10/433940610.db2.gz UXDJVDXWZZQWJX-INIZCTEOSA-N 0 3 315.461 3.275 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000450165698 434005432 /nfs/dbraw/zinc/00/54/32/434005432.db2.gz SMJVVPFOODMQAY-AEFFLSMTSA-N 0 3 314.429 3.120 20 30 DGEDHN C=CC[C@H](C(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000294169243 434024706 /nfs/dbraw/zinc/02/47/06/434024706.db2.gz OKKCADWFZYFEAT-ICSRJNTNSA-N 0 3 312.457 3.291 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1occ2c1CCC2)C(C)C ZINC000352865326 434061599 /nfs/dbraw/zinc/06/15/99/434061599.db2.gz YSMXXGLRPRZQCI-KRWDZBQOSA-N 0 3 316.445 3.197 20 30 DGEDHN CN1CC[C@H](CSc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000352931283 434062308 /nfs/dbraw/zinc/06/23/08/434062308.db2.gz OPJXMWFMOYHEBP-VIFPVBQESA-N 0 3 301.337 3.016 20 30 DGEDHN CN(C)[C@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 ZINC000416226358 434063751 /nfs/dbraw/zinc/06/37/51/434063751.db2.gz UXJNFGFGQBNHRR-SJORKVTESA-N 0 3 313.445 3.220 20 30 DGEDHN CC(C)Oc1ccc([C@@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000357534230 434068946 /nfs/dbraw/zinc/06/89/46/434068946.db2.gz NUVHLRHODCVJRE-LJQANCHMSA-N 0 3 324.428 3.455 20 30 DGEDHN C[NH+](C)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000436699921 434071291 /nfs/dbraw/zinc/07/12/91/434071291.db2.gz XHLMFAFBNCDQJY-HNNXBMFYSA-N 0 3 318.380 3.115 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363411739 434047455 /nfs/dbraw/zinc/04/74/55/434047455.db2.gz MDOWVDOLORJJJB-WMZOPIPTSA-N 0 3 315.461 3.162 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCn1cnc3ccccc31)CC2 ZINC000353409495 434115796 /nfs/dbraw/zinc/11/57/96/434115796.db2.gz FJDASYJOKYSJCO-KRWDZBQOSA-N 0 3 302.381 3.185 20 30 DGEDHN CCC(C)(C)OCCNC(=O)C(C#N)CCc1ccccc1 ZINC000457352996 434118435 /nfs/dbraw/zinc/11/84/35/434118435.db2.gz GFZKEICFVKERCA-MRXNPFEDSA-N 0 3 302.418 3.080 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)Cc1ccccc1 ZINC000346142283 434146002 /nfs/dbraw/zinc/14/60/02/434146002.db2.gz XHFBFPHPIKAFNA-IQUTYRLHSA-N 0 3 312.388 3.340 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000294800175 434147099 /nfs/dbraw/zinc/14/70/99/434147099.db2.gz BUMJWDJMFBHTMA-LJQANCHMSA-N 0 3 311.429 3.469 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000378338393 434147805 /nfs/dbraw/zinc/14/78/05/434147805.db2.gz CAWBRGHLZUPHCL-HNNXBMFYSA-N 0 3 314.429 3.368 20 30 DGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346145196 434150878 /nfs/dbraw/zinc/15/08/78/434150878.db2.gz UTKSCKWVLCSYLW-NEPJUHHUSA-N 0 3 306.381 3.468 20 30 DGEDHN C[C@@H]1CN(CCCNc2cccc(Cl)c2C#N)CCCO1 ZINC000295064679 434170699 /nfs/dbraw/zinc/17/06/99/434170699.db2.gz PSJUSVKOTOFAFV-CYBMUJFWSA-N 0 3 307.825 3.124 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(N(C)C(C)C)nc2)cc1 ZINC000295125312 434215114 /nfs/dbraw/zinc/21/51/14/434215114.db2.gz XWLKVIQTDHIPRA-UHFFFAOYSA-N 0 3 323.440 3.228 20 30 DGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C#N)cc1)N(C)C ZINC000357852356 434215395 /nfs/dbraw/zinc/21/53/95/434215395.db2.gz OGAZJMSEZQNRGW-BEFAXECRSA-N 0 3 321.424 3.288 20 30 DGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccc(C#N)s1 ZINC000381405221 434271202 /nfs/dbraw/zinc/27/12/02/434271202.db2.gz WIUQFGUULROLRV-WDEREUQCSA-N 0 3 309.435 3.011 20 30 DGEDHN CCc1cccc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000324145713 434272782 /nfs/dbraw/zinc/27/27/82/434272782.db2.gz AEWCKOBWKXEZBZ-HNAYVOBHSA-N 0 3 324.424 3.211 20 30 DGEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000423109438 434222560 /nfs/dbraw/zinc/22/25/60/434222560.db2.gz SNKFKSRHYNDXBZ-AWEZNQCLSA-N 0 3 311.429 3.264 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Br)s1 ZINC000320267284 434237367 /nfs/dbraw/zinc/23/73/67/434237367.db2.gz LBTKUNSIHQVMOG-NXEZZACHSA-N 0 3 304.253 3.488 20 30 DGEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)Nc1ccccc1C#N ZINC000348302379 434287932 /nfs/dbraw/zinc/28/79/32/434287932.db2.gz ABFUIIQOSRBOEQ-GFCCVEGCSA-N 0 3 313.426 3.472 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCCC2(CCC2)C1 ZINC000348192837 434290057 /nfs/dbraw/zinc/29/00/57/434290057.db2.gz JQZBQISWKUXLGR-UHFFFAOYSA-N 0 3 300.402 3.212 20 30 DGEDHN CN(CCCOCc1ccccc1)CCOc1cccc(C#N)c1 ZINC000384282360 434292693 /nfs/dbraw/zinc/29/26/93/434292693.db2.gz HTOAPBDTNMLXPK-UHFFFAOYSA-N 0 3 324.424 3.476 20 30 DGEDHN COc1cc(CN(C)CCOCc2ccccc2)ccc1C#N ZINC000384309628 434292865 /nfs/dbraw/zinc/29/28/65/434292865.db2.gz JKBPYOPZDOWFDB-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN Cc1ccc(C(C)(C)NCCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000353638393 434296247 /nfs/dbraw/zinc/29/62/47/434296247.db2.gz RABIQCXHHPFGRF-UHFFFAOYSA-N 0 3 322.412 3.115 20 30 DGEDHN C=CCC[C@@H](Nc1ccc(N2CCNCC2)cn1)c1ccco1 ZINC000423233421 434298986 /nfs/dbraw/zinc/29/89/86/434298986.db2.gz OHURPGFXTZVDTC-MRXNPFEDSA-N 0 3 312.417 3.204 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@@H]2CCC(=O)NC23CCC3)cc1F ZINC000328719878 434299636 /nfs/dbraw/zinc/29/96/36/434299636.db2.gz VUGQBCDFVNGKLQ-CQSZACIVSA-N 0 3 319.380 3.353 20 30 DGEDHN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCCN1C1CCCC1 ZINC000328689427 434302246 /nfs/dbraw/zinc/30/22/46/434302246.db2.gz IBHWYMYIUQETNY-LSDHHAIUSA-N 0 3 319.449 3.392 20 30 DGEDHN Cc1cnc(C(=O)NCCN2CCC3(CCCCC3)CC2)cn1 ZINC000328697915 434302617 /nfs/dbraw/zinc/30/26/17/434302617.db2.gz HHLXNYVUCNJRGH-UHFFFAOYSA-N 0 3 316.449 3.136 20 30 DGEDHN COc1ccc2occ(C(=O)NC3CCN(C4CC4)CC3)c2c1 ZINC000328734513 434305924 /nfs/dbraw/zinc/30/59/24/434305924.db2.gz YOPZMWUWEBSMSU-UHFFFAOYSA-N 0 3 314.385 3.373 20 30 DGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncoc1C1CC1 ZINC000328810022 434312681 /nfs/dbraw/zinc/31/26/81/434312681.db2.gz FCAOJMPONAIKKM-XQQFMLRXSA-N 0 3 305.422 3.223 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 ZINC000328787917 434313001 /nfs/dbraw/zinc/31/30/01/434313001.db2.gz XKAWYPBIKCEIDH-HIFRSBDPSA-N 0 3 323.400 3.003 20 30 DGEDHN COc1ccc2c(c1)CCN(Cc1ccc(OC)c(C#N)c1)CC2 ZINC000340731456 434327484 /nfs/dbraw/zinc/32/74/84/434327484.db2.gz APSAWPLFTCLULG-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN CN1CC=C(CNC(=O)CCNC(=O)C2CCCCC2)CC1 ZINC000329217405 434373351 /nfs/dbraw/zinc/37/33/51/434373351.db2.gz QBMDRMOCMANPCA-UHFFFAOYSA-N 0 3 307.438 3.132 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000438051072 434389472 /nfs/dbraw/zinc/38/94/72/434389472.db2.gz BGEWSZSNIIUSFV-NFAWXSAZSA-N 0 3 317.458 3.097 20 30 DGEDHN CC(C)(CCC#N)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000366149335 434344586 /nfs/dbraw/zinc/34/45/86/434344586.db2.gz CMEPLRNALWZAQG-INIZCTEOSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@H](NC(=O)CCC(=O)NC1CCCC1)C1=CCN(C)CC1 ZINC000329355258 434396448 /nfs/dbraw/zinc/39/64/48/434396448.db2.gz VSLGCVPNVQQMBT-ZDUSSCGKSA-N 0 3 307.438 3.273 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)N[C@H](C)C2=CCN(C)CC2)n1 ZINC000329352014 434397260 /nfs/dbraw/zinc/39/72/60/434397260.db2.gz UJDSQICFXSCMAX-HUUCEWRRSA-N 0 3 304.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCC(C)(C)C#N)[C@@H]2C1 ZINC000366423013 434408923 /nfs/dbraw/zinc/40/89/23/434408923.db2.gz UGRDQCLIFJIHCA-LSDHHAIUSA-N 0 3 321.465 3.258 20 30 DGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000359478076 434418201 /nfs/dbraw/zinc/41/82/01/434418201.db2.gz XJSZZYBRVRBBDS-BBRMVZONSA-N 0 3 310.401 3.440 20 30 DGEDHN CC(=O)N[C@H](C(=O)N[C@H](C)C1=CCN(C)CC1)C1CCCC1 ZINC000329508235 434425538 /nfs/dbraw/zinc/42/55/38/434425538.db2.gz LZJLZYDPIRQREI-WBMJQRKESA-N 0 3 307.438 3.129 20 30 DGEDHN C[C@H]1C[C@H](Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000287793808 434452007 /nfs/dbraw/zinc/45/20/07/434452007.db2.gz JHSDOWNHPURZNY-MAUKXSAKSA-N 0 3 306.413 3.418 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)s1 ZINC000366575058 434454334 /nfs/dbraw/zinc/45/43/34/434454334.db2.gz VLRUSZDAXBHWAV-GFCCVEGCSA-N 0 3 301.390 3.127 20 30 DGEDHN N#CCCn1cc(CNCC2(CC#N)CC2)c(-c2ccccc2)n1 ZINC000366828818 434518457 /nfs/dbraw/zinc/51/84/57/434518457.db2.gz PHALXMRPBXOMNW-UHFFFAOYSA-N 0 3 319.412 3.247 20 30 DGEDHN C[C@]1(NCc2cc(C#N)cs2)CCN(Cc2ccccc2)C1 ZINC000406042217 434527982 /nfs/dbraw/zinc/52/79/82/434527982.db2.gz RJGDURUEKXESRI-SFHVURJKSA-N 0 3 311.454 3.374 20 30 DGEDHN Cc1nccn1CCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000367014658 434535851 /nfs/dbraw/zinc/53/58/51/434535851.db2.gz WYIPDVYZZYZQBU-RTBURBONSA-N 0 3 308.429 3.353 20 30 DGEDHN C=CCC1(NC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCCCC1 ZINC000458520394 434544950 /nfs/dbraw/zinc/54/49/50/434544950.db2.gz OQVNMBJMBWSWBA-CABCVRRESA-N 0 3 305.466 3.190 20 30 DGEDHN Cc1nsc(NC[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000368549014 434576719 /nfs/dbraw/zinc/57/67/19/434576719.db2.gz AMPODIOTCCCSPJ-HNNXBMFYSA-N 0 3 312.442 3.257 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439335473 434594318 /nfs/dbraw/zinc/59/43/18/434594318.db2.gz ZJBLULGINXMWEH-FUHWJXTLSA-N 0 3 313.445 3.017 20 30 DGEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@H](O)c1cccc(F)c1 ZINC000370474865 434613615 /nfs/dbraw/zinc/61/36/15/434613615.db2.gz CMZJXXATAIMVTC-GZUKPKISSA-N 0 3 324.399 3.461 20 30 DGEDHN C=CCC1(CNC(=O)NC[C@H](N)c2ccccc2)CCCC1 ZINC000418256736 434617049 /nfs/dbraw/zinc/61/70/49/434617049.db2.gz MQBJBUDHZJEHBD-INIZCTEOSA-N 0 3 301.434 3.122 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000424083567 434617697 /nfs/dbraw/zinc/61/76/97/434617697.db2.gz CZPHYUGLTZGCBX-CABCVRRESA-N 0 3 305.809 3.025 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000354101079 434617859 /nfs/dbraw/zinc/61/78/59/434617859.db2.gz QOCCTCKVKKWBPR-OAHLLOKOSA-N 0 3 321.424 3.417 20 30 DGEDHN CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424093376 434619789 /nfs/dbraw/zinc/61/97/89/434619789.db2.gz ROVKJECQASHYMX-HZPDHXFCSA-N 0 3 301.434 3.301 20 30 DGEDHN C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424090433 434620528 /nfs/dbraw/zinc/62/05/28/434620528.db2.gz KLFVUNLMPMYJJW-BLLLJJGKSA-N 0 3 319.836 3.413 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000424110617 434625323 /nfs/dbraw/zinc/62/53/23/434625323.db2.gz DTYUETGWBZYDQP-QGZVFWFLSA-N 0 3 323.396 3.116 20 30 DGEDHN CCC(CC)[C@H](NC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424107446 434626291 /nfs/dbraw/zinc/62/62/91/434626291.db2.gz ZVDBNUWJXCQGPB-HIFRSBDPSA-N 0 3 307.463 3.363 20 30 DGEDHN Cc1cccc2oc(CCNCc3ccc(C#N)cc3F)nc21 ZINC000410332107 434641667 /nfs/dbraw/zinc/64/16/67/434641667.db2.gz DMXKFKFYZNRDCF-UHFFFAOYSA-N 0 3 309.344 3.479 20 30 DGEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1Oc1ccncc1 ZINC000424175275 434647486 /nfs/dbraw/zinc/64/74/86/434647486.db2.gz UETOSRJRVJLDDA-MRXNPFEDSA-N 0 3 324.384 3.142 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000424185356 434648597 /nfs/dbraw/zinc/64/85/97/434648597.db2.gz ZHRAFJTXXBQICG-GOSISDBHSA-N 0 3 323.396 3.225 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360619849 434652238 /nfs/dbraw/zinc/65/22/38/434652238.db2.gz MORJQIBHLRIDSX-CVEARBPZSA-N 0 3 305.466 3.039 20 30 DGEDHN CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(C#N)s1 ZINC000424194499 434653913 /nfs/dbraw/zinc/65/39/13/434653913.db2.gz XTHQOSXXIHHPBI-UHFFFAOYSA-N 0 3 308.447 3.467 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)nn1 ZINC000424290903 434681913 /nfs/dbraw/zinc/68/19/13/434681913.db2.gz CKMXKVBEMOCMNN-WCFLWFBJSA-N 0 3 322.865 3.461 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(Cc1ccco1)C(C)C ZINC000354243551 434685622 /nfs/dbraw/zinc/68/56/22/434685622.db2.gz LKGXPGHUVTTXGW-UHFFFAOYSA-N 0 3 314.385 3.449 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN(CC3CC3)CC3CC3)o2)cc1 ZINC000440479947 434705324 /nfs/dbraw/zinc/70/53/24/434705324.db2.gz IOCJXBWHRSFAIC-UHFFFAOYSA-N 0 3 308.385 3.230 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000411072492 434711399 /nfs/dbraw/zinc/71/13/99/434711399.db2.gz UHBMVLBUDLAFBX-QZTJIDSGSA-N 0 3 309.413 3.326 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000452796451 434718824 /nfs/dbraw/zinc/71/88/24/434718824.db2.gz MKOZSNNQMSLOLL-QGZVFWFLSA-N 0 3 321.424 3.248 20 30 DGEDHN COc1cc(CN[C@H]2CCCO[C@@H]2CC(C)C)ccc1C#N ZINC000440634207 434728841 /nfs/dbraw/zinc/72/88/41/434728841.db2.gz HHXXMYWKBOTSKU-FUHWJXTLSA-N 0 3 302.418 3.250 20 30 DGEDHN Cn1nccc1[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411175150 434738052 /nfs/dbraw/zinc/73/80/52/434738052.db2.gz CUEJHLHDWBLPQS-MRXNPFEDSA-N 0 3 300.450 3.464 20 30 DGEDHN Cc1noc(C2CCN(CCC3(C#N)CCCCC3)CC2)n1 ZINC000411194276 434742749 /nfs/dbraw/zinc/74/27/49/434742749.db2.gz UHMPTCMKAXDART-UHFFFAOYSA-N 0 3 302.422 3.422 20 30 DGEDHN CC#CCCNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000360960196 434742915 /nfs/dbraw/zinc/74/29/15/434742915.db2.gz XSEKZAJUHYHNGZ-UHFFFAOYSA-N 0 3 318.218 3.138 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000411345498 434766041 /nfs/dbraw/zinc/76/60/41/434766041.db2.gz YSDXLXJNUBNDPQ-STQMWFEESA-N 0 3 320.824 3.078 20 30 DGEDHN N#CC1(CCN(CCC(N)=O)Cc2ccccc2)CCCCC1 ZINC000411324550 434763716 /nfs/dbraw/zinc/76/37/16/434763716.db2.gz LJOMUPCCOOGGCR-UHFFFAOYSA-N 0 3 313.445 3.228 20 30 DGEDHN N#Cc1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1F ZINC000361028483 434771612 /nfs/dbraw/zinc/77/16/12/434771612.db2.gz HVAVOFCBWIIRGG-ZBFHGGJFSA-N 0 3 302.393 3.336 20 30 DGEDHN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C2CC2)cc1 ZINC000419354968 434775864 /nfs/dbraw/zinc/77/58/64/434775864.db2.gz MNMLYTDWIZSYSH-ORAYPTAESA-N 0 3 311.429 3.023 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]2c2cccnc2)c1 ZINC000411425078 434779727 /nfs/dbraw/zinc/77/97/27/434779727.db2.gz XDFQVZMWMZZYSY-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053523 434862188 /nfs/dbraw/zinc/86/21/88/434862188.db2.gz FMGSVFHRPSICBO-QAPCUYQASA-N 0 3 311.429 3.096 20 30 DGEDHN CS[C@H]1CN(c2c(Cl)cccc2C#N)C[C@@H]1N1CCCC1 ZINC000445610392 434816804 /nfs/dbraw/zinc/81/68/04/434816804.db2.gz MOCRBIVOOQLKSK-GJZGRUSLSA-N 0 3 321.877 3.228 20 30 DGEDHN CC(C)(CCC#N)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000361158087 434817945 /nfs/dbraw/zinc/81/79/45/434817945.db2.gz RMPVDVMLYCGZSI-UHFFFAOYSA-N 0 3 319.493 3.431 20 30 DGEDHN N#CCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000411697211 434818674 /nfs/dbraw/zinc/81/86/74/434818674.db2.gz VQBYQUFRWPBMSO-VQTJNVASSA-N 0 3 305.425 3.158 20 30 DGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000424899697 434826808 /nfs/dbraw/zinc/82/68/08/434826808.db2.gz VPZZKMVDHIHPHM-UHFFFAOYSA-N 0 3 304.434 3.476 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](NCCC1(C#N)CCCCC1)C(N)=O ZINC000411758223 434827309 /nfs/dbraw/zinc/82/73/09/434827309.db2.gz MQZVYXFRTWSZTP-WBVHZDCISA-N 0 3 313.445 3.098 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](NCCC1(C#N)CCCCC1)C(N)=O ZINC000411758219 434827607 /nfs/dbraw/zinc/82/76/07/434827607.db2.gz MQZVYXFRTWSZTP-DOTOQJQBSA-N 0 3 313.445 3.098 20 30 DGEDHN N#Cc1cccc(OCCCN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411951259 434848171 /nfs/dbraw/zinc/84/81/71/434848171.db2.gz RVURLAJGAQMAAQ-UYAOXDASSA-N 0 3 322.408 3.135 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000372837531 434857576 /nfs/dbraw/zinc/85/75/76/434857576.db2.gz NOGOEQBBHCEPIL-IBGZPJMESA-N 0 3 306.409 3.057 20 30 DGEDHN CCCC[C@H](CC)CN1CCN(c2cnccc2C#N)CC1 ZINC000521249650 434876398 /nfs/dbraw/zinc/87/63/98/434876398.db2.gz HNWBTUMHQREPQA-INIZCTEOSA-N 0 3 300.450 3.292 20 30 DGEDHN CCC[C@H]1CN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000553184948 434881168 /nfs/dbraw/zinc/88/11/68/434881168.db2.gz NLWOPBGJJHXVIN-IBGZPJMESA-N 0 3 320.440 3.444 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](OC)C1CCOCC1 ZINC000637959438 434916447 /nfs/dbraw/zinc/91/64/47/434916447.db2.gz FFFIPAJOMUMINC-LJQANCHMSA-N 0 3 319.445 3.125 20 30 DGEDHN CC[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)N(CC)CC ZINC000573934119 434936186 /nfs/dbraw/zinc/93/61/86/434936186.db2.gz OBTJFNJKUYGNPB-OAHLLOKOSA-N 0 3 307.825 3.465 20 30 DGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H]1OCCc2sccc21 ZINC000492225755 434938243 /nfs/dbraw/zinc/93/82/43/434938243.db2.gz NEMDHSXSGQUXKU-BMIGLBTASA-N 0 3 304.440 3.473 20 30 DGEDHN C=CCN(CCc1ccccc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000555315316 434969586 /nfs/dbraw/zinc/96/95/86/434969586.db2.gz CABFESKRABRMSZ-HXUWFJFHSA-N 0 3 313.416 3.460 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C3CC3)c(C)o2)CC1 ZINC000574376393 434973193 /nfs/dbraw/zinc/97/31/93/434973193.db2.gz OIAXVILIASCEOK-UHFFFAOYSA-N 0 3 318.421 3.022 20 30 DGEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ncccc1F ZINC000527828425 435015689 /nfs/dbraw/zinc/01/56/89/435015689.db2.gz URCMRXWUUBMDPO-AWEZNQCLSA-N 0 3 324.403 3.412 20 30 DGEDHN COc1ccc([C@H](NCCOc2ccc(C#N)cc2)C2CC2)cn1 ZINC000528849010 435029623 /nfs/dbraw/zinc/02/96/23/435029623.db2.gz QBQZBGJBDPQIRM-LJQANCHMSA-N 0 3 323.396 3.082 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000464516189 434990289 /nfs/dbraw/zinc/99/02/89/434990289.db2.gz CCLGVFHVSFGHBA-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C[C@@H](Cc1ccc(Br)cc1)NC[C@H](C#N)CCC#N ZINC000574858809 435004029 /nfs/dbraw/zinc/00/40/29/435004029.db2.gz BJLPAFQEOKIXOR-JSGCOSHPSA-N 0 3 320.234 3.413 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000525953609 435009176 /nfs/dbraw/zinc/00/91/76/435009176.db2.gz YECQXGHWCZDFHA-RDJZCZTQSA-N 0 3 314.429 3.137 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000577187325 435059800 /nfs/dbraw/zinc/05/98/00/435059800.db2.gz XCJFTIROUYZUNT-UHFFFAOYSA-N 0 3 309.413 3.096 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000575980534 435052758 /nfs/dbraw/zinc/05/27/58/435052758.db2.gz GGAPUOLAFPFSQW-ZDUSSCGKSA-N 0 3 306.372 3.342 20 30 DGEDHN CCC1(CN2CCC(C#N)(c3ccccn3)CC2)CCOCC1 ZINC000558621195 435100817 /nfs/dbraw/zinc/10/08/17/435100817.db2.gz RWKBWGJXPLFGDA-UHFFFAOYSA-N 0 3 313.445 3.146 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1cccn(C(F)F)c1=O ZINC000638918484 435117148 /nfs/dbraw/zinc/11/71/48/435117148.db2.gz RHDSZQLNMUPYBR-UHFFFAOYSA-N 0 3 308.328 3.067 20 30 DGEDHN C[C@H](NC(C)(C)CNC(=O)C1(C#N)CC(C)C1)c1ccccc1 ZINC000531808211 435120435 /nfs/dbraw/zinc/12/04/35/435120435.db2.gz WGJMQGHITRRURC-HVEKOLDVSA-N 0 3 313.445 3.172 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000493198846 435124307 /nfs/dbraw/zinc/12/43/07/435124307.db2.gz ZZUSLPCFWMRPTM-QXMHVHEDSA-N 0 3 305.381 3.272 20 30 DGEDHN C[C@@H]1C[C@@H]1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475350706 435192718 /nfs/dbraw/zinc/19/27/18/435192718.db2.gz RIOBXEVFCUTDQM-FRFSOERESA-N 0 3 303.837 3.178 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000648203051 435227204 /nfs/dbraw/zinc/22/72/04/435227204.db2.gz QCPUSRFITLBOJH-KRWDZBQOSA-N 0 3 300.446 3.227 20 30 DGEDHN CC1CCN([C@@H](CNC[C@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000561303785 435209229 /nfs/dbraw/zinc/20/92/29/435209229.db2.gz ASZIQYWLZCNTGI-ICSRJNTNSA-N 0 3 324.472 3.493 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)CCOc1ccccc1C#N ZINC000475727267 435209277 /nfs/dbraw/zinc/20/92/77/435209277.db2.gz DBSPCDNTKNMEIJ-IBGZPJMESA-N 0 3 324.424 3.127 20 30 DGEDHN CCC[C@@H]1CN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000561291031 435210686 /nfs/dbraw/zinc/21/06/86/435210686.db2.gz LIQTYPKPLNARGU-HXUWFJFHSA-N 0 3 320.440 3.444 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496276938 435211184 /nfs/dbraw/zinc/21/11/84/435211184.db2.gz SBHYYMZXWJVWHB-WMLDXEAASA-N 0 3 307.438 3.012 20 30 DGEDHN CC(C)(C)c1ccc(OC[C@@H](O)CNCC2(CC#N)CC2)cc1 ZINC000583436751 435242023 /nfs/dbraw/zinc/24/20/23/435242023.db2.gz ZYQARHOMIWPESV-INIZCTEOSA-N 0 3 316.445 3.007 20 30 DGEDHN C[C@H](CCC#N)CN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000639348097 435257777 /nfs/dbraw/zinc/25/77/77/435257777.db2.gz UFSRHJZXRHLERL-DNVCBOLYSA-N 0 3 312.413 3.426 20 30 DGEDHN C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496871307 435265970 /nfs/dbraw/zinc/26/59/70/435265970.db2.gz AHUVLGYIQKYCDW-FXUDXRNXSA-N 0 3 321.465 3.161 20 30 DGEDHN N#Cc1cccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000478360432 435296581 /nfs/dbraw/zinc/29/65/81/435296581.db2.gz ZOWCSFYOAAOZFF-UHFFFAOYSA-N 0 3 315.760 3.452 20 30 DGEDHN CCCC[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000503315049 435305654 /nfs/dbraw/zinc/30/56/54/435305654.db2.gz WFMJFNDGKGELPY-INIZCTEOSA-N 0 3 315.461 3.275 20 30 DGEDHN CC(C)CN1CCCC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000567323070 435306577 /nfs/dbraw/zinc/30/65/77/435306577.db2.gz MYAHNNPEHUBPLC-LPHOPBHVSA-N 0 3 317.477 3.087 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000562706432 435262688 /nfs/dbraw/zinc/26/26/88/435262688.db2.gz RZZXSJQURNJRRJ-AZUAARDMSA-N 0 3 324.424 3.233 20 30 DGEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CCCC2(F)F)CC1 ZINC000562708463 435262772 /nfs/dbraw/zinc/26/27/72/435262772.db2.gz PKXIEBZXCQLPID-AWEZNQCLSA-N 0 3 305.372 3.374 20 30 DGEDHN CN(CCCOc1ccccc1)CCOc1ccc(C#N)cc1 ZINC000509056013 435310432 /nfs/dbraw/zinc/31/04/32/435310432.db2.gz WAOCBNMCNLYWHM-UHFFFAOYSA-N 0 3 310.397 3.338 20 30 DGEDHN C[C@@H]1[C@@H](C)N(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000536697736 435406181 /nfs/dbraw/zinc/40/61/81/435406181.db2.gz GIADHLROBKDWEL-ZIAGYGMSSA-N 0 3 310.363 3.081 20 30 DGEDHN C=CCN(Cc1ccc(I)cc1)C1CC1 ZINC000536745512 435409445 /nfs/dbraw/zinc/40/94/45/435409445.db2.gz YOMQZUDTJUEREG-UHFFFAOYSA-N 0 3 313.182 3.442 20 30 DGEDHN C=CCC1(c2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)CCOCC1 ZINC000643956390 435386884 /nfs/dbraw/zinc/38/68/84/435386884.db2.gz FVFHQQZNQTXFRU-GOOCMWNKSA-N 0 3 317.433 3.034 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000568517148 435445597 /nfs/dbraw/zinc/44/55/97/435445597.db2.gz ZXTZYNXOPVJSCC-MLGOLLRUSA-N 0 3 323.352 3.121 20 30 DGEDHN C=CCN(C[C@H](O)COc1cc(Cl)ccc1Cl)C1CC1 ZINC000537853973 435469584 /nfs/dbraw/zinc/46/95/84/435469584.db2.gz KRYDOARWPDLYLV-ZDUSSCGKSA-N 0 3 316.228 3.384 20 30 DGEDHN C=C[C@@H](CC(=O)N(CCC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000648999026 435482254 /nfs/dbraw/zinc/48/22/54/435482254.db2.gz XKEYDZXINROQTK-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN N#Cc1ccsc1NC(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000538266938 435487489 /nfs/dbraw/zinc/48/74/89/435487489.db2.gz RWBGXVZTASLRSN-CQSZACIVSA-N 0 3 317.439 3.361 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000637622221 435487667 /nfs/dbraw/zinc/48/76/67/435487667.db2.gz ZIFACQSTTAFIJI-JKSUJKDBSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000483094796 435492639 /nfs/dbraw/zinc/49/26/39/435492639.db2.gz FAAIUDDLEJVBAT-RDJZCZTQSA-N 0 3 316.420 3.204 20 30 DGEDHN CCCN(Cc1ccc(C#N)cn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000569066293 435498764 /nfs/dbraw/zinc/49/87/64/435498764.db2.gz AZYNOJNSCUKTGX-IRXDYDNUSA-N 0 3 301.434 3.369 20 30 DGEDHN Cc1cccc(C(C)(C)NCC(=O)NCc2cccc(C#N)c2)c1 ZINC000539287013 435543842 /nfs/dbraw/zinc/54/38/42/435543842.db2.gz RKUYIAINAHJGGK-UHFFFAOYSA-N 0 3 321.424 3.008 20 30 DGEDHN CCCCC[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486804037 435615862 /nfs/dbraw/zinc/61/58/62/435615862.db2.gz QYNYLFOSGLDTMG-INIZCTEOSA-N 0 3 305.466 3.374 20 30 DGEDHN COc1ccc(OCCN(C)Cc2ccc(C#N)c(C)c2)cc1 ZINC000486815541 435618720 /nfs/dbraw/zinc/61/87/20/435618720.db2.gz OXDRKVDILKARSZ-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN COc1ccc2c(c1)OC[C@H](N[C@@H]1CCc3ccc(C#N)cc31)C2 ZINC000570439284 435619130 /nfs/dbraw/zinc/61/91/30/435619130.db2.gz PPXYAVXCVWLGKT-VQIMIIECSA-N 0 3 320.392 3.147 20 30 DGEDHN N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1ccccn1 ZINC000541017335 435632722 /nfs/dbraw/zinc/63/27/22/435632722.db2.gz DNSIOZGQIZSWPN-OAHLLOKOSA-N 0 3 307.353 3.288 20 30 DGEDHN C=C(C)CN(CC)C(=O)CNC1(c2ccccc2)CCCC1 ZINC000540395115 435598909 /nfs/dbraw/zinc/59/89/09/435598909.db2.gz LDYFTEHJNHHPON-UHFFFAOYSA-N 0 3 300.446 3.470 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000540487701 435603400 /nfs/dbraw/zinc/60/34/00/435603400.db2.gz KJDUYJQXMHJAMJ-AEFFLSMTSA-N 0 3 315.461 3.305 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)ccc1OC ZINC000541891221 435644699 /nfs/dbraw/zinc/64/46/99/435644699.db2.gz YOLYWOYUQIKRLX-WBVHZDCISA-N 0 3 319.445 3.243 20 30 DGEDHN CCC(CC)CN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000488512769 435638296 /nfs/dbraw/zinc/63/82/96/435638296.db2.gz IOBPBZJUPCTJBQ-HNNXBMFYSA-N 0 3 307.482 3.476 20 30 DGEDHN C=CCCCCCn1cc(COc2ccccc2CN)nn1 ZINC000641044131 435678115 /nfs/dbraw/zinc/67/81/15/435678115.db2.gz GFSPPFXDCWGFEX-UHFFFAOYSA-N 0 3 300.406 3.062 20 30 DGEDHN C=C1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000519444260 435683042 /nfs/dbraw/zinc/68/30/42/435683042.db2.gz VERYFKSVUGULHK-QGZVFWFLSA-N 0 3 303.446 3.376 20 30 DGEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCC(C(C)(C)C)CC1 ZINC000520528321 435753123 /nfs/dbraw/zinc/75/31/23/435753123.db2.gz ALCLCBATELCIGH-KJXMEXGPSA-N 0 3 319.493 3.332 20 30 DGEDHN Cn1cc([C@H]2CN(Cc3cccc(C#N)c3F)CC2(C)C)cn1 ZINC000571461384 435709177 /nfs/dbraw/zinc/70/91/77/435709177.db2.gz GHGWISRYJVRXTF-MRXNPFEDSA-N 0 3 312.392 3.056 20 30 DGEDHN COC(=O)c1cccc(CN(C)[C@H]2CCCC[C@@H]2C)c1C#N ZINC000548731102 435712398 /nfs/dbraw/zinc/71/23/98/435712398.db2.gz LLLDJXYSVBJFPV-GUYCJALGSA-N 0 3 300.402 3.355 20 30 DGEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491672739 435790600 /nfs/dbraw/zinc/79/06/00/435790600.db2.gz USYGCVZLKWMYKM-AAEUAGOBSA-N 0 3 308.809 3.067 20 30 DGEDHN C#CCNC(=O)C1CCN(Cc2ccc(C3CCCC3)cc2)CC1 ZINC000491724453 435799582 /nfs/dbraw/zinc/79/95/82/435799582.db2.gz GBIIMYLTLIZHTL-UHFFFAOYSA-N 0 3 324.468 3.306 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000650078354 435807324 /nfs/dbraw/zinc/80/73/24/435807324.db2.gz ZLGQEIRPGNFRKY-CABCVRRESA-N 0 3 322.836 3.219 20 30 DGEDHN C=CCC[C@@H](NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000655800667 435812590 /nfs/dbraw/zinc/81/25/90/435812590.db2.gz CUNLIBSOHYZTIU-WCXIOVBPSA-N 0 3 306.450 3.374 20 30 DGEDHN CC#CC[C@@H](CO)NC/C(C)=C\c1ccccc1OC(F)F ZINC000641768317 435814996 /nfs/dbraw/zinc/81/49/96/435814996.db2.gz ZFXOEMKMUVVQNK-WVUXNXBLSA-N 0 3 309.356 3.055 20 30 DGEDHN C=CC[C@H]1CC[C@@H](NCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000651751237 435815177 /nfs/dbraw/zinc/81/51/77/435815177.db2.gz PXHHCZMHTATJHT-GOEBONIOSA-N 0 3 302.418 3.358 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000641767957 435815929 /nfs/dbraw/zinc/81/59/29/435815929.db2.gz SPWACRFGJSRAQQ-AWEZNQCLSA-N 0 3 320.845 3.327 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCc3ccccc3NC2=O)c1 ZINC000655813818 435819696 /nfs/dbraw/zinc/81/96/96/435819696.db2.gz IENTWDDFAJAQMR-LJQANCHMSA-N 0 3 322.408 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C3CCC3)C2)CC1 ZINC000660597599 435820618 /nfs/dbraw/zinc/82/06/18/435820618.db2.gz RMMQXOIDMLOAQJ-QGZVFWFLSA-N 0 3 319.493 3.249 20 30 DGEDHN C=C(C)COCCNCc1cn(-c2ccccc2F)nc1C ZINC000655747186 435769841 /nfs/dbraw/zinc/76/98/41/435769841.db2.gz AYXPHMMMKLCKFA-UHFFFAOYSA-N 0 3 303.381 3.002 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000491554774 435773132 /nfs/dbraw/zinc/77/31/32/435773132.db2.gz LZZXJGSHRVAKPG-UHFFFAOYSA-N 0 3 317.392 3.022 20 30 DGEDHN CC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(C)cc1 ZINC000549761161 435778051 /nfs/dbraw/zinc/77/80/51/435778051.db2.gz GROOTVAIYXKBPG-KRWDZBQOSA-N 0 3 305.385 3.150 20 30 DGEDHN C=CC[C@H](CO)CNCc1oc2ccccc2c1Br ZINC000655756146 435778484 /nfs/dbraw/zinc/77/84/84/435778484.db2.gz PCOFIAOVJDPJAW-NSHDSACASA-N 0 3 324.218 3.470 20 30 DGEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC000641937364 435846373 /nfs/dbraw/zinc/84/63/73/435846373.db2.gz NCRVAZHKSDYFIX-BQLWYNFJSA-N 0 3 319.445 3.366 20 30 DGEDHN C=CCCC1(CNC(=O)NC2CCN(CC=C)CC2)CCCC1 ZINC000660707621 435864169 /nfs/dbraw/zinc/86/41/69/435864169.db2.gz QNGVWJZAWJXEEQ-UHFFFAOYSA-N 0 3 319.493 3.463 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC23CCCCC3)CC1 ZINC000660707703 435864766 /nfs/dbraw/zinc/86/47/66/435864766.db2.gz RGQLLCACBOGBMU-KRWDZBQOSA-N 0 3 319.493 3.439 20 30 DGEDHN OCC1(N(CC#Cc2ccc(C(F)(F)F)cc2)C2CC2)CCC1 ZINC000660785407 435892742 /nfs/dbraw/zinc/89/27/42/435892742.db2.gz IYJBUWYRUSVTLU-UHFFFAOYSA-N 0 3 323.358 3.436 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000665391960 435966864 /nfs/dbraw/zinc/96/68/64/435966864.db2.gz OAHCVMDELDNSDK-YVSFHVDLSA-N 0 3 307.482 3.103 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(=O)n2c(C)csc2n1 ZINC000661118104 435971179 /nfs/dbraw/zinc/97/11/79/435971179.db2.gz WOHOGQQBKVNWMT-UKRRQHHQSA-N 0 3 317.458 3.289 20 30 DGEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1nc(C2CC2)cs1 ZINC000647376973 436035527 /nfs/dbraw/zinc/03/55/27/436035527.db2.gz HDALLTTUXNPGKL-ZDUSSCGKSA-N 0 3 310.378 3.445 20 30 DGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000661380580 436049934 /nfs/dbraw/zinc/04/99/34/436049934.db2.gz OGTQOBGHNCECFP-HUUCEWRRSA-N 0 3 302.418 3.310 20 30 DGEDHN C=CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000665945298 436102356 /nfs/dbraw/zinc/10/23/56/436102356.db2.gz HQCFSPZMFVEHMK-SJLPKXTDSA-N 0 3 315.461 3.257 20 30 DGEDHN C=CCC[C@H](O)CN1CCc2nc(-c3ccccc3)sc2C1 ZINC000661548065 436104434 /nfs/dbraw/zinc/10/44/34/436104434.db2.gz NEFDKKJLQODDJG-HNNXBMFYSA-N 0 3 314.454 3.495 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)CCN1CCCCC1)c1ccccc1 ZINC000652991721 436084100 /nfs/dbraw/zinc/08/41/00/436084100.db2.gz NQCVUIOJQVCCSW-GOSISDBHSA-N 0 3 300.446 3.291 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000661507321 436092865 /nfs/dbraw/zinc/09/28/65/436092865.db2.gz KTYJBKBMYRBTEV-CQSZACIVSA-N 0 3 321.490 3.319 20 30 DGEDHN C=CCN1CCC(NCc2cc(F)ccc2OC(F)F)CC1 ZINC000657353750 436154903 /nfs/dbraw/zinc/15/49/03/436154903.db2.gz VTCYKSJYYCKDAA-UHFFFAOYSA-N 0 3 314.351 3.167 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C)C2)c1 ZINC000337705731 301224900 /nfs/dbraw/zinc/22/49/00/301224900.db2.gz ZXTWWOFXLSKBHW-WMLDXEAASA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@H]2C(F)(F)F)nn1 ZINC000657387551 436173282 /nfs/dbraw/zinc/17/32/82/436173282.db2.gz WYBNEDOWHSRKIX-TZMCWYRMSA-N 0 3 316.371 3.313 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc(CNC(C)=O)cc2)c1 ZINC000657541556 436239718 /nfs/dbraw/zinc/23/97/18/436239718.db2.gz PYFLAOCPAIMOQZ-UHFFFAOYSA-N 0 3 324.424 3.177 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)nn1 ZINC000657452863 436207436 /nfs/dbraw/zinc/20/74/36/436207436.db2.gz LREYKCZDHIOJSP-RDJZCZTQSA-N 0 3 314.408 3.419 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657484601 436222567 /nfs/dbraw/zinc/22/25/67/436222567.db2.gz FXAUDVSTRCEAIX-INIZCTEOSA-N 0 3 316.376 3.430 20 30 DGEDHN CN1CCN(CC#Cc2ccc(F)cc2)CC12CCCCC2 ZINC000653723125 436251727 /nfs/dbraw/zinc/25/17/27/436251727.db2.gz KVLYFFXLJWNKNS-UHFFFAOYSA-N 0 3 300.421 3.128 20 30 DGEDHN C=CCOc1ccc(CNCCO[C@@H]2CC2(F)F)cc1Cl ZINC000657618031 436261907 /nfs/dbraw/zinc/26/19/07/436261907.db2.gz HJXGIXJYTZEGNX-CQSZACIVSA-N 0 3 317.763 3.419 20 30 DGEDHN C=CCC1(NCc2csc(-c3ccccn3)n2)CCOCC1 ZINC000657633853 436264936 /nfs/dbraw/zinc/26/49/36/436264936.db2.gz ZSYJTWFMUYGKDT-UHFFFAOYSA-N 0 3 315.442 3.420 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000662082935 436268720 /nfs/dbraw/zinc/26/87/20/436268720.db2.gz YOPCUYUSTCCUMI-PBWTXFEYSA-N 0 3 312.457 3.478 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccccc1S(C)(=O)=O ZINC000658033628 436357443 /nfs/dbraw/zinc/35/74/43/436357443.db2.gz GOSREQLWJLNBMR-ZBFHGGJFSA-N 0 3 307.459 3.315 20 30 DGEDHN Cc1ccc([C@@H](CN[C@H]2CCC[C@H](C#N)C2)N2CCCC2)o1 ZINC000185882988 301718305 /nfs/dbraw/zinc/71/83/05/301718305.db2.gz QXTOUFHDYVWILY-YESZJQIVSA-N 0 3 301.434 3.397 20 30 DGEDHN C=CCCC(C)(C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042068 436461181 /nfs/dbraw/zinc/46/11/81/436461181.db2.gz SBCYCPSZXLACGK-MRXNPFEDSA-N 0 3 317.433 3.214 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@H]1CCCn2ccnc21)C(C)C ZINC000655688276 436573893 /nfs/dbraw/zinc/57/38/93/436573893.db2.gz UQTVMPLBRLAXHM-DLBZAZTESA-N 0 3 302.466 3.006 20 30 DGEDHN C=CCCC1(CNC(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000660279283 436617508 /nfs/dbraw/zinc/61/75/08/436617508.db2.gz DGWMXWZVINIGDK-UHFFFAOYSA-N 0 3 319.493 3.439 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C1 ZINC000282259363 303159540 /nfs/dbraw/zinc/15/95/40/303159540.db2.gz CPWXRCSWOPHWRT-NZSAHSFTSA-N 0 3 321.424 3.262 20 30 DGEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1c(F)cccc1F ZINC000177702258 312783491 /nfs/dbraw/zinc/78/34/91/312783491.db2.gz GYZPKRLOMVKBCH-HNNXBMFYSA-N 0 3 321.396 3.290 20 30 DGEDHN COc1ccc(CN(C)C)cc1NCc1ccc(C#N)cc1F ZINC000533309746 313611791 /nfs/dbraw/zinc/61/17/91/313611791.db2.gz XNSDXJHBSOVIAT-UHFFFAOYSA-N 0 3 313.376 3.380 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCC(C)CC1 ZINC000540883307 313981207 /nfs/dbraw/zinc/98/12/07/313981207.db2.gz KFDBJNCKFZBQQF-ZDUSSCGKSA-N 0 3 319.836 3.062 20 30 DGEDHN C[C@H](NC1(C2CC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000544416491 314191520 /nfs/dbraw/zinc/19/15/20/314191520.db2.gz YNVKKEOFLXURKA-JTQLQIEISA-N 0 3 303.793 3.071 20 30 DGEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)NCc1ccc(C#N)cc1 ZINC000546934719 314337395 /nfs/dbraw/zinc/33/73/95/314337395.db2.gz CYOZKWNWODHTFZ-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN C[C@H](N[C@H]1CCn2ccnc2C1)c1ccc(C#N)cc1Cl ZINC000555788494 314736171 /nfs/dbraw/zinc/73/61/71/314736171.db2.gz KUONZZYJKUDLAF-AAEUAGOBSA-N 0 3 300.793 3.074 20 30 DGEDHN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000560943285 314949192 /nfs/dbraw/zinc/94/91/92/314949192.db2.gz LEVYBAGRHPBPFR-QZTJIDSGSA-N 0 3 306.413 3.336 20 30 DGEDHN C[C@@H](CCN1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000562386497 315015847 /nfs/dbraw/zinc/01/58/47/315015847.db2.gz WZRLFAZGDUPAGX-KRWDZBQOSA-N 0 3 320.440 3.269 20 30 DGEDHN Cc1ccccc1[C@H](NCc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000563622470 315128025 /nfs/dbraw/zinc/12/80/25/315128025.db2.gz IGSDNNOMRVUQNJ-GOSISDBHSA-N 0 3 317.396 3.150 20 30 DGEDHN CCc1cc(OC)ccc1CNCc1ccc(C#N)c(OC)c1 ZINC000563919760 315147004 /nfs/dbraw/zinc/14/70/04/315147004.db2.gz DYGYHIXIAFUSLK-UHFFFAOYSA-N 0 3 310.397 3.428 20 30 DGEDHN N#Cc1cnc2c(Cl)cccc2c1NCCN1CCCC1 ZINC000566148559 315317169 /nfs/dbraw/zinc/31/71/69/315317169.db2.gz DCEDUBJDKIXFDX-UHFFFAOYSA-N 0 3 300.793 3.268 20 30 DGEDHN C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(C#N)c(F)c1 ZINC000567368332 315417393 /nfs/dbraw/zinc/41/73/93/315417393.db2.gz SNBAROIVBLALJJ-ZBEGNZNMSA-N 0 3 314.335 3.491 20 30 DGEDHN COc1ccc2c(c1)OC[C@@H](N[C@H]1CCc3ccc(C#N)cc31)C2 ZINC000570439281 315648900 /nfs/dbraw/zinc/64/89/00/315648900.db2.gz PPXYAVXCVWLGKT-LPHOPBHVSA-N 0 3 320.392 3.147 20 30 DGEDHN CCN(CC)Cc1cccc(NC(=O)c2ncc(C#N)cc2C)c1 ZINC000572138514 315770517 /nfs/dbraw/zinc/77/05/17/315770517.db2.gz ZEQCDWKFGHGYOV-UHFFFAOYSA-N 0 3 322.412 3.356 20 30 DGEDHN CCC(CC)(CC)CN1CCN(c2cnccc2C#N)CC1 ZINC000573900622 315911610 /nfs/dbraw/zinc/91/16/10/315911610.db2.gz OBCZOTPDYAWZEV-UHFFFAOYSA-N 0 3 300.450 3.292 20 30 DGEDHN N#Cc1ncc(C(F)(F)F)cc1NC[C@@H]1CCCCN1C1CC1 ZINC000576486283 316135715 /nfs/dbraw/zinc/13/57/15/316135715.db2.gz VHOONSFALGUTFN-ZDUSSCGKSA-N 0 3 324.350 3.401 20 30 DGEDHN Cc1ccc(CCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000181569830 323259062 /nfs/dbraw/zinc/25/90/62/323259062.db2.gz FDIULFMGPNGQDQ-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381336525 323615246 /nfs/dbraw/zinc/61/52/46/323615246.db2.gz DBZZKIWGAFXZIR-MNOVXSKESA-N 0 3 309.435 3.011 20 30 DGEDHN Cn1cc(CN2CCC(CCc3ccc(O)cc3)CC2)cc1C#N ZINC000580025351 323947951 /nfs/dbraw/zinc/94/79/51/323947951.db2.gz WIRYRBCWRUSBRB-UHFFFAOYSA-N 0 3 323.440 3.447 20 30 DGEDHN CN(C)[C@H](CNc1ncc2c(c1C#N)CCC2)c1cccs1 ZINC000581880682 324163912 /nfs/dbraw/zinc/16/39/12/324163912.db2.gz DXXNYBAGROOVAU-OAHLLOKOSA-N 0 3 312.442 3.218 20 30 DGEDHN N#Cc1ccc(N2CCC[C@@H](N(C3CC3)C3CCCC3)C2=O)cc1 ZINC000583493475 324361358 /nfs/dbraw/zinc/36/13/58/324361358.db2.gz RZNDUDSPWTVDDN-LJQANCHMSA-N 0 3 323.440 3.461 20 30 DGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000248876810 332874686 /nfs/dbraw/zinc/87/46/86/332874686.db2.gz REXBTZVDXVYMOD-IPYPFGDCSA-N 0 3 317.820 3.117 20 30 DGEDHN C[C@H](CC(=O)c1ccco1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433375518 533710551 /nfs/dbraw/zinc/71/05/51/533710551.db2.gz LOJMQNWBBMSLNM-ZBFHGGJFSA-N 0 3 324.380 3.130 20 30 DGEDHN C=C(C)[C@@H](CC(=O)Nc1cc(CN(C)C)ccc1OC)OCC ZINC000533692246 331646645 /nfs/dbraw/zinc/64/66/45/331646645.db2.gz GAIFMGSUAQOHTG-QGZVFWFLSA-N 0 3 320.433 3.067 20 30 DGEDHN C=CCSCCNCc1ccc(OC)c(Br)c1 ZINC000222064118 331805545 /nfs/dbraw/zinc/80/55/45/331805545.db2.gz ULIQUDQXZXICCR-UHFFFAOYSA-N 0 3 316.264 3.467 20 30 DGEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000584130154 331839884 /nfs/dbraw/zinc/83/98/84/331839884.db2.gz KRKDAJHFURQZPE-UHFFFAOYSA-N 0 3 319.836 3.160 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000569393206 332073227 /nfs/dbraw/zinc/07/32/27/332073227.db2.gz UPWFUFORFGJCDA-IBGZPJMESA-N 0 3 312.457 3.142 20 30 DGEDHN N#Cc1cccc(OCCCN2CC[C@H](c3ccncc3)C2)c1 ZINC000584270353 332178190 /nfs/dbraw/zinc/17/81/90/332178190.db2.gz PTRNSIFGWNFCAZ-SFHVURJKSA-N 0 3 307.397 3.212 20 30 DGEDHN C=CCNC(=O)[C@H](C)S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564966248 332309848 /nfs/dbraw/zinc/30/98/48/332309848.db2.gz MWOKYJWJSIMYPK-DOTOQJQBSA-N 0 3 318.486 3.075 20 30 DGEDHN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)C(=O)NC1(C#N)CCC1 ZINC000560278445 332326846 /nfs/dbraw/zinc/32/68/46/332326846.db2.gz QDOHFIWKNIULDD-UONOGXRCSA-N 0 3 311.429 3.166 20 30 DGEDHN C=CCOCCN(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000293568439 335108960 /nfs/dbraw/zinc/10/89/60/335108960.db2.gz SPCPFHYFCHKXEH-UHFFFAOYSA-N 0 3 315.360 3.321 20 30 DGEDHN C#CCOc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000293735890 335112674 /nfs/dbraw/zinc/11/26/74/335112674.db2.gz VGFZKNLJCLIBJO-LJQANCHMSA-N 0 3 311.425 3.090 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000562568794 332605749 /nfs/dbraw/zinc/60/57/49/332605749.db2.gz AJIJMDYNTSQMGF-OAHLLOKOSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2coc3ccc(C)cc23)CC1 ZINC000528447236 332628757 /nfs/dbraw/zinc/62/87/57/332628757.db2.gz FGTUGKPEAPMZGA-UHFFFAOYSA-N 0 3 312.413 3.050 20 30 DGEDHN CC[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000522712283 333173078 /nfs/dbraw/zinc/17/30/78/333173078.db2.gz JBIHKSQGTLQWHY-INIZCTEOSA-N 0 3 305.466 3.183 20 30 DGEDHN CC(C)[C@@H](NCCC(=O)N(C)CCC#N)c1ccccc1Cl ZINC000183703093 333187273 /nfs/dbraw/zinc/18/72/73/333187273.db2.gz WJVQUBOODOFMCP-QGZVFWFLSA-N 0 3 321.852 3.389 20 30 DGEDHN CN(C(=O)CN1CCCC12CCCCC2)C1(C#N)CCCCC1 ZINC000533933858 333204350 /nfs/dbraw/zinc/20/43/50/333204350.db2.gz XUVGZERSHFXFKY-UHFFFAOYSA-N 0 3 317.477 3.470 20 30 DGEDHN N#C[C@@H]1CCC[C@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000185729860 333212822 /nfs/dbraw/zinc/21/28/22/333212822.db2.gz UEEVPDOLYFTPDT-WBVHZDCISA-N 0 3 313.445 3.138 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCN1CCCCC1)c1ccccc1 ZINC000188260961 333362427 /nfs/dbraw/zinc/36/24/27/333362427.db2.gz WUNAGYRXPFLLMA-GOSISDBHSA-N 0 3 300.446 3.339 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000295683017 335137121 /nfs/dbraw/zinc/13/71/21/335137121.db2.gz YMRHGOCBTPKZLI-HNNXBMFYSA-N 0 3 310.441 3.086 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000185728654 335147238 /nfs/dbraw/zinc/14/72/38/335147238.db2.gz XOEHEOXMBWKWRB-GOSISDBHSA-N 0 3 312.457 3.303 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000272045650 334030318 /nfs/dbraw/zinc/03/03/18/334030318.db2.gz PHSYBPQPWJCJQV-RTBURBONSA-N 0 3 313.445 3.090 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000340140811 334133792 /nfs/dbraw/zinc/13/37/92/334133792.db2.gz RONQDLGUMMIZKM-SFHVURJKSA-N 0 3 313.445 3.137 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000291451697 334178824 /nfs/dbraw/zinc/17/88/24/334178824.db2.gz FRAUDRWNIFJYCH-IBGZPJMESA-N 0 3 313.445 3.341 20 30 DGEDHN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CCOCCC#N ZINC000293630129 334200009 /nfs/dbraw/zinc/20/00/09/334200009.db2.gz QZBBTFLWCVPZHF-ZDUSSCGKSA-N 0 3 314.351 3.498 20 30 DGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1C(C)(C)C ZINC000048813420 334299039 /nfs/dbraw/zinc/29/90/39/334299039.db2.gz IXUBJHYRLUMGKP-LBPRGKRZSA-N 0 3 321.384 3.313 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000535153744 334373162 /nfs/dbraw/zinc/37/31/62/334373162.db2.gz XIALGCNUUOZKFX-SFHVURJKSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)OCC ZINC000535205252 334380181 /nfs/dbraw/zinc/38/01/81/334380181.db2.gz GYSZBNCSWHDQTK-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CCC)CC1 ZINC000520710463 336033588 /nfs/dbraw/zinc/03/35/88/336033588.db2.gz UTTOEECRPNLLJV-WBVHZDCISA-N 0 3 307.482 3.295 20 30 DGEDHN CC(C#N)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000352151908 336197022 /nfs/dbraw/zinc/19/70/22/336197022.db2.gz WXHBXZHWCNKMMC-VHSXEESVSA-N 0 3 307.191 3.054 20 30 DGEDHN CC(C#N)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000352151909 336197080 /nfs/dbraw/zinc/19/70/80/336197080.db2.gz WXHBXZHWCNKMMC-ZJUUUORDSA-N 0 3 307.191 3.054 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000526135386 336230507 /nfs/dbraw/zinc/23/05/07/336230507.db2.gz SQLKXQGMEUAWRY-KRWDZBQOSA-N 0 3 313.445 3.234 20 30 DGEDHN C[C@@H](N(C)CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC000532489471 336250305 /nfs/dbraw/zinc/25/03/05/336250305.db2.gz UOQGTPKGPSRSSW-OAHLLOKOSA-N 0 3 301.434 3.300 20 30 DGEDHN C=CCOc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000023082423 336947007 /nfs/dbraw/zinc/94/70/07/336947007.db2.gz MSMXFKNKRAQTAB-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](OC)CC2)cc1OC ZINC000378630224 337077069 /nfs/dbraw/zinc/07/70/69/337077069.db2.gz FMJBJRVMIYGANZ-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000514674871 337257164 /nfs/dbraw/zinc/25/71/64/337257164.db2.gz IFFWJEPTDCUJNJ-HNNXBMFYSA-N 0 3 316.445 3.054 20 30 DGEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000219701402 337351243 /nfs/dbraw/zinc/35/12/43/337351243.db2.gz GWYWAMOKKPECDG-HZPDHXFCSA-N 0 3 305.466 3.182 20 30 DGEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000219701353 337351318 /nfs/dbraw/zinc/35/13/18/337351318.db2.gz GWYWAMOKKPECDG-HOTGVXAUSA-N 0 3 305.466 3.182 20 30 DGEDHN CC#CCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000499214551 340032528 /nfs/dbraw/zinc/03/25/28/340032528.db2.gz PBVOCUUGUJBCTP-MRXNPFEDSA-N 0 3 307.821 3.401 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCCC2)C1=O ZINC000499605455 340040765 /nfs/dbraw/zinc/04/07/65/340040765.db2.gz ZTSHZCMGXBUXJW-QZTJIDSGSA-N 0 3 316.420 3.434 20 30 DGEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)C1=O ZINC000499613240 340041125 /nfs/dbraw/zinc/04/11/25/340041125.db2.gz VYIOHQAMIPYIOA-ISWURRPUSA-N 0 3 318.848 3.414 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000502325378 340099830 /nfs/dbraw/zinc/09/98/30/340099830.db2.gz MWKSRZALTFVIQY-SFHVURJKSA-N 0 3 315.388 3.254 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000503440332 340128303 /nfs/dbraw/zinc/12/83/03/340128303.db2.gz UVLLJTJAUPTGLE-SJORKVTESA-N 0 3 307.482 3.127 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCC1CCCCC1 ZINC000507648884 340227189 /nfs/dbraw/zinc/22/71/89/340227189.db2.gz DTZLAPNETRJVOU-YJBOKZPZSA-N 0 3 307.482 3.332 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508869972 340254888 /nfs/dbraw/zinc/25/48/88/340254888.db2.gz JQFHJIMOPXNDEC-FUHWJXTLSA-N 0 3 315.461 3.370 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(C)(C)C)C(C)C ZINC000509241842 340264466 /nfs/dbraw/zinc/26/44/66/340264466.db2.gz WWUWAVFVVOMVPD-MRXNPFEDSA-N 0 3 309.498 3.373 20 30 DGEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000510438743 340299354 /nfs/dbraw/zinc/29/93/54/340299354.db2.gz VBWSGGHHBNVWQU-SNVBAGLBSA-N 0 3 309.207 3.003 20 30 DGEDHN C=CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1CCCCC1 ZINC000303504541 340328729 /nfs/dbraw/zinc/32/87/29/340328729.db2.gz ZIBPBKPGSWBOIU-INIZCTEOSA-N 0 3 305.466 3.063 20 30 DGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1ccc(Cl)cc1 ZINC000511621667 340332762 /nfs/dbraw/zinc/33/27/62/340332762.db2.gz AAMNUHISJUFDEL-KVDVXYDOSA-N 0 3 301.817 3.047 20 30 DGEDHN C=CCOc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000511716283 340336052 /nfs/dbraw/zinc/33/60/52/340336052.db2.gz RPVQOUPKOGQFIU-UHFFFAOYSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN1CCC ZINC000511916880 340342773 /nfs/dbraw/zinc/34/27/73/340342773.db2.gz PVNCABKVWYEBHB-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000542881801 341025089 /nfs/dbraw/zinc/02/50/89/341025089.db2.gz MOOXUBUYXUCPGX-INIZCTEOSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCOc1cccc(CNC[C@@H](O)CCc2ccccc2)c1 ZINC000543242174 341037715 /nfs/dbraw/zinc/03/77/15/341037715.db2.gz DJWIBDSIYDMKQH-IBGZPJMESA-N 0 3 311.425 3.335 20 30 DGEDHN C=CC1CCN(C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000543436624 341044485 /nfs/dbraw/zinc/04/44/85/341044485.db2.gz LDWIZNGTBOTWTC-HNNXBMFYSA-N 0 3 309.837 3.286 20 30 DGEDHN COC[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000543455539 341045639 /nfs/dbraw/zinc/04/56/39/341045639.db2.gz VXKKKUCPSJGIOK-HNNXBMFYSA-N 0 3 315.335 3.197 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000543628669 341052028 /nfs/dbraw/zinc/05/20/28/341052028.db2.gz WAPICBZOLGSTKT-BPQIPLTHSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCC[C@H](NC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000131045451 341057045 /nfs/dbraw/zinc/05/70/45/341057045.db2.gz YGZCUXAHOHVLOZ-SFHVURJKSA-N 0 3 315.461 3.431 20 30 DGEDHN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000543905184 341063010 /nfs/dbraw/zinc/06/30/10/341063010.db2.gz DQTDUIJCMXPCGZ-IKGGRYGDSA-N 0 3 317.477 3.182 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000133511862 341177027 /nfs/dbraw/zinc/17/70/27/341177027.db2.gz OKIDHKHVHHLKQB-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)CCc2cccc(F)c2)CC1 ZINC000080079583 341269203 /nfs/dbraw/zinc/26/92/03/341269203.db2.gz WDVXJXNGRQLDLV-OAHLLOKOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C2CCCCC2)CC1 ZINC000171740349 341784005 /nfs/dbraw/zinc/78/40/05/341784005.db2.gz WNVSYDTVNFSGBV-SFHVURJKSA-N 0 3 319.493 3.391 20 30 DGEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](NCC1(C#N)CCC1)CC3 ZINC000577475400 341911313 /nfs/dbraw/zinc/91/13/13/341911313.db2.gz WNHQPMKUAQNRQF-CYBMUJFWSA-N 0 3 309.413 3.317 20 30 DGEDHN C=CCC[C@H](CC)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177970299 341940475 /nfs/dbraw/zinc/94/04/75/341940475.db2.gz GKFGQQBMWAAFOZ-AWEZNQCLSA-N 0 3 315.866 3.448 20 30 DGEDHN COc1cc(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)ccc1C#N ZINC000442890117 533795162 /nfs/dbraw/zinc/79/51/62/533795162.db2.gz NCYBYNARVYOBLG-WMZOPIPTSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000181523296 533819611 /nfs/dbraw/zinc/81/96/11/533819611.db2.gz URKVGMOADTZQFY-CVEARBPZSA-N 0 3 313.445 3.111 20 30 DGEDHN COc1ccc(O)c(/C=N/CCN(C)Cc2ccc(F)cc2)c1 ZINC000176414519 534194851 /nfs/dbraw/zinc/19/48/51/534194851.db2.gz ZDHFAAGEWKEJMC-UDWIEESQSA-N 0 3 316.376 3.091 20 30 DGEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccccc2F)s1 ZINC000449204173 534398781 /nfs/dbraw/zinc/39/87/81/534398781.db2.gz LLMROMDYJDKRSV-LBPRGKRZSA-N 0 3 306.406 3.223 20 30 DGEDHN C=C(CC)CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000458367834 534409230 /nfs/dbraw/zinc/40/92/30/534409230.db2.gz IBMPCLDMGNZLCR-OAHLLOKOSA-N 0 3 303.450 3.381 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000489054599 534472239 /nfs/dbraw/zinc/47/22/39/534472239.db2.gz QCLWQTUTUIXFMZ-AEFFLSMTSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000489476260 534559809 /nfs/dbraw/zinc/55/98/09/534559809.db2.gz NDJOSISFPLHMHS-GGPKGHCWSA-N 0 3 315.457 3.482 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OCCC)c1 ZINC000449548913 534573611 /nfs/dbraw/zinc/57/36/11/534573611.db2.gz RYZUJOASWICGAG-CVEARBPZSA-N 0 3 305.418 3.307 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451678169 534573709 /nfs/dbraw/zinc/57/37/09/534573709.db2.gz WJKRXMOVTDJSKX-CVEARBPZSA-N 0 3 320.389 3.205 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000451597171 534611060 /nfs/dbraw/zinc/61/10/60/534611060.db2.gz HPSCFLCRKORPAI-XYPHTWIQSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCC1(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC1 ZINC000458272052 534643269 /nfs/dbraw/zinc/64/32/69/534643269.db2.gz KOXBWXSWPXTYLK-UHFFFAOYSA-N 0 3 320.408 3.451 20 30 DGEDHN C=CCCCC[C@@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000449305431 534695368 /nfs/dbraw/zinc/69/53/68/534695368.db2.gz GHKZCIUQKRFEAY-CYBMUJFWSA-N 0 3 313.438 3.454 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC000449698444 534791749 /nfs/dbraw/zinc/79/17/49/534791749.db2.gz NPEOSIVKHKMTFK-NSHDSACASA-N 0 3 304.217 3.419 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000449698429 534792030 /nfs/dbraw/zinc/79/20/30/534792030.db2.gz NNDLKEXAAIGDSZ-NSHDSACASA-N 0 3 305.752 3.358 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451149044 534822084 /nfs/dbraw/zinc/82/20/84/534822084.db2.gz RSHYHKVHBLTTIL-MJBXVCDLSA-N 0 3 318.383 3.238 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cc(C#N)cs1 ZINC000156781886 525013036 /nfs/dbraw/zinc/01/30/36/525013036.db2.gz WHGCXDCIQKTTOK-KDOFPFPSSA-N 0 3 311.454 3.230 20 30 DGEDHN CC(C)(C)OC(=O)NCC1CCC(NCC2(C#N)CCC2)CC1 ZINC000496196800 534877426 /nfs/dbraw/zinc/87/74/26/534877426.db2.gz WAYAOIXXCAMLJN-UHFFFAOYSA-N 0 3 321.465 3.353 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)[C@H](C)C2)cc1OC ZINC000449497416 534883141 /nfs/dbraw/zinc/88/31/41/534883141.db2.gz KGEPIDTXUPOOPI-GDBMZVCRSA-N 0 3 305.418 3.117 20 30 DGEDHN CC#CCCNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000354191225 526339170 /nfs/dbraw/zinc/33/91/70/526339170.db2.gz TYCBTZYYKASYNZ-UHFFFAOYSA-N 0 3 316.408 3.437 20 30 DGEDHN C=CCN(Cc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000353511412 526358855 /nfs/dbraw/zinc/35/88/55/526358855.db2.gz BJDJANZAHFAQKA-INIZCTEOSA-N 0 3 319.412 3.412 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1 ZINC000345121448 526441144 /nfs/dbraw/zinc/44/11/44/526441144.db2.gz ALQQLRGADNWGCQ-UHFFFAOYSA-N 0 3 324.428 3.454 20 30 DGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000337171295 526484252 /nfs/dbraw/zinc/48/42/52/526484252.db2.gz DOKAOQKHCBHMEN-HNAYVOBHSA-N 0 3 321.424 3.186 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434892433 526525252 /nfs/dbraw/zinc/52/52/52/526525252.db2.gz RLPNXNAOBHSBEL-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN CC(C)(C)OCCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428772133 526551247 /nfs/dbraw/zinc/55/12/47/526551247.db2.gz KMBHYOAWLLWPNP-INIZCTEOSA-N 0 3 317.433 3.002 20 30 DGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(O)CCC(C)CC1 ZINC000352797745 526558329 /nfs/dbraw/zinc/55/83/29/526558329.db2.gz BSDCLBYGLQVBLH-UHFFFAOYSA-N 0 3 307.434 3.091 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000352211407 526564603 /nfs/dbraw/zinc/56/46/03/526564603.db2.gz RYSSQMRIZZSQBD-CALCHBBNSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COCc1ccco1 ZINC000348234092 526568012 /nfs/dbraw/zinc/56/80/12/526568012.db2.gz SGYLKUPOJUWAHW-SFHVURJKSA-N 0 3 315.413 3.235 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285384996 526577115 /nfs/dbraw/zinc/57/71/15/526577115.db2.gz NNZLZZANSHAERR-GQCTYLIASA-N 0 3 320.383 3.135 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CCC)c2ccccn2)CC1 ZINC000353312859 526597568 /nfs/dbraw/zinc/59/75/68/526597568.db2.gz IBZNDXQHDMDIHF-KRWDZBQOSA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434905103 526626802 /nfs/dbraw/zinc/62/68/02/526626802.db2.gz IDOPYJIXORAOSE-VQIMIIECSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C(C)COc1cc(CN(C)CCN(C)C2CC2)ccc1OC ZINC000349356093 526659752 /nfs/dbraw/zinc/65/97/52/526659752.db2.gz VLXYZBMEESDEFF-UHFFFAOYSA-N 0 3 318.461 3.176 20 30 DGEDHN C=C(C)COc1cc(CNCCc2cc(C)no2)ccc1OC ZINC000353060541 526661523 /nfs/dbraw/zinc/66/15/23/526661523.db2.gz CHJJMMMSESGXNW-UHFFFAOYSA-N 0 3 316.401 3.279 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000345291357 526669877 /nfs/dbraw/zinc/66/98/77/526669877.db2.gz BYNCWSBTEGYXQD-PBHICJAKSA-N 0 3 317.433 3.246 20 30 DGEDHN C=CCOCCCN1CCc2cc(OCC)c(OCC)cc2C1 ZINC000347963472 526759357 /nfs/dbraw/zinc/75/93/57/526759357.db2.gz JQVWLWYMCIQDJE-UHFFFAOYSA-N 0 3 319.445 3.435 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000435749759 526782917 /nfs/dbraw/zinc/78/29/17/526782917.db2.gz VNIMEUZAVUADNT-AHIWAGSCSA-N 0 3 306.475 3.339 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1cc(CN(C)C)ccc1C)OCC ZINC000339379306 526815636 /nfs/dbraw/zinc/81/56/36/526815636.db2.gz PWGYVTAQDCENPL-KRWDZBQOSA-N 0 3 304.434 3.366 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1 ZINC000343403905 526890416 /nfs/dbraw/zinc/89/04/16/526890416.db2.gz YNDBMWSKIOBUSR-RBUKOAKNSA-N 0 3 310.397 3.266 20 30 DGEDHN C=CCOc1cccc(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000430148086 526900113 /nfs/dbraw/zinc/90/01/13/526900113.db2.gz QJRAGFLMCSZDMC-SFHVURJKSA-N 0 3 301.430 3.500 20 30 DGEDHN C=CCOc1cccc(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000430148085 526900389 /nfs/dbraw/zinc/90/03/89/526900389.db2.gz QJRAGFLMCSZDMC-GOSISDBHSA-N 0 3 301.430 3.500 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000180687660 526912208 /nfs/dbraw/zinc/91/22/08/526912208.db2.gz HSDCETKNEHQMPE-UHFFFAOYSA-N 0 3 305.422 3.055 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)c1cccc(CN(C)C)c1 ZINC000156374868 526949268 /nfs/dbraw/zinc/94/92/68/526949268.db2.gz KQZOZWFRNIBSIN-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000432552743 527010102 /nfs/dbraw/zinc/01/01/02/527010102.db2.gz FPNVDGKGWZOEQI-QGZVFWFLSA-N 0 3 315.461 3.162 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000132511639 527067151 /nfs/dbraw/zinc/06/71/51/527067151.db2.gz FGYZOPAWXGKSJA-FUHWJXTLSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)c(OC)c(OCC)c1 ZINC000341326362 527078365 /nfs/dbraw/zinc/07/83/65/527078365.db2.gz WTANMOUDPYUJFJ-GFCCVEGCSA-N 0 3 313.825 3.022 20 30 DGEDHN C=CC[C@@H](CO)CNCc1csc(-c2ccc(F)cc2)n1 ZINC000341313020 527079790 /nfs/dbraw/zinc/07/97/90/527079790.db2.gz RWVOVVVKYXMNNB-GFCCVEGCSA-N 0 3 306.406 3.223 20 30 DGEDHN C=CCCC1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000355269763 527090563 /nfs/dbraw/zinc/09/05/63/527090563.db2.gz DEWMCURWUHDKKW-QGZVFWFLSA-N 0 3 300.446 3.460 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180558198 527116317 /nfs/dbraw/zinc/11/63/17/527116317.db2.gz UGQHYFURWRYPRE-MRXNPFEDSA-N 0 3 320.392 3.452 20 30 DGEDHN C=CC[C@@H]1N(Cc2cc(=O)n3ccccc3n2)CCCC1(C)C ZINC000444785899 527119668 /nfs/dbraw/zinc/11/96/68/527119668.db2.gz SLQWPDJRLVPKLF-INIZCTEOSA-N 0 3 311.429 3.261 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351636549 527159361 /nfs/dbraw/zinc/15/93/61/527159361.db2.gz ARCPZUUEONSQLH-GOSISDBHSA-N 0 3 315.461 3.307 20 30 DGEDHN Cn1cc(CNCCCOc2cccc3cccnc32)cc1C#N ZINC000191026847 527216306 /nfs/dbraw/zinc/21/63/06/527216306.db2.gz LRRPLEQTFVUJPK-UHFFFAOYSA-N 0 3 320.396 3.004 20 30 DGEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000302094649 527225636 /nfs/dbraw/zinc/22/56/36/527225636.db2.gz IMIFUJNNVBIJDK-LJQANCHMSA-N 0 3 321.424 3.346 20 30 DGEDHN C=CCCN(C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000342732998 527324350 /nfs/dbraw/zinc/32/43/50/527324350.db2.gz HPPNFCVQCKCIFF-AWEZNQCLSA-N 0 3 312.335 3.319 20 30 DGEDHN C=CCn1cccc1C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000359537573 527386258 /nfs/dbraw/zinc/38/62/58/527386258.db2.gz GQRFMEKWZALGGI-GJZGRUSLSA-N 0 3 315.417 3.126 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000180037137 527445367 /nfs/dbraw/zinc/44/53/67/527445367.db2.gz LAPUSRYGKGHBRA-MJGOQNOKSA-N 0 3 311.429 3.092 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N[C@H](C(C)=O)C(C)C)c1ccccc1 ZINC000341940940 527446407 /nfs/dbraw/zinc/44/64/07/527446407.db2.gz HSSRJHOARBSTPA-MJGOQNOKSA-N 0 3 316.445 3.013 20 30 DGEDHN C=CCC[C@@H](NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456735 527447302 /nfs/dbraw/zinc/44/73/02/527447302.db2.gz WTJUXVNAKYOFSN-IXDOHACOSA-N 0 3 306.450 3.376 20 30 DGEDHN C=CCC[C@@H](O)CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000152647230 527452994 /nfs/dbraw/zinc/45/29/94/527452994.db2.gz GXTBQRFRACDXAQ-CYBMUJFWSA-N 0 3 303.324 3.344 20 30 DGEDHN CC(C)(C#N)CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000345945555 527465336 /nfs/dbraw/zinc/46/53/36/527465336.db2.gz YHFUBUVGHCLAFM-UHFFFAOYSA-N 0 3 312.413 3.487 20 30 DGEDHN C=CCC[C@H](NC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000343920492 527479276 /nfs/dbraw/zinc/47/92/76/527479276.db2.gz QCAZWZSPIFJGQG-SZMVWBNQSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CCC[C@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccccc1 ZINC000180037193 527483024 /nfs/dbraw/zinc/48/30/24/527483024.db2.gz INMSROGUKSAVPN-INIZCTEOSA-N 0 3 312.417 3.262 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000337607690 527508868 /nfs/dbraw/zinc/50/88/68/527508868.db2.gz RABIYKJSGPIQEH-GOEBONIOSA-N 0 3 301.434 3.409 20 30 DGEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338052342 527564241 /nfs/dbraw/zinc/56/42/41/527564241.db2.gz UGQWWPJOWQMUML-RDJZCZTQSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(Cl)ccc1C ZINC000429709996 527572599 /nfs/dbraw/zinc/57/25/99/527572599.db2.gz BDEUTSPUSCNBAS-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN C=C[C@H](CC(=O)N1CCCN(CCC)CC1)c1ccccc1 ZINC000134398550 527573408 /nfs/dbraw/zinc/57/34/08/527573408.db2.gz UZTNONFSNJJVCJ-QGZVFWFLSA-N 0 3 300.446 3.291 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2cccc(F)c2)o1 ZINC000429704280 527575704 /nfs/dbraw/zinc/57/57/04/527575704.db2.gz VEZMKIGYBKLVED-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000441298697 527597723 /nfs/dbraw/zinc/59/77/23/527597723.db2.gz BOWIFSHTVIHFBJ-RDJZCZTQSA-N 0 3 319.493 3.390 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CCc1ccccc1 ZINC000343594025 527632056 /nfs/dbraw/zinc/63/20/56/527632056.db2.gz WZJDYTZWAQVDAT-KRWDZBQOSA-N 0 3 300.446 3.140 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000341036253 527636300 /nfs/dbraw/zinc/63/63/00/527636300.db2.gz JOBRAKIGYDAPSR-YJBOKZPZSA-N 0 3 316.445 3.325 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000338392205 527647111 /nfs/dbraw/zinc/64/71/11/527647111.db2.gz SBKZVBZIAUZMND-HNNXBMFYSA-N 0 3 304.394 3.100 20 30 DGEDHN CC(C)CCN(CCC#N)C(=O)c1cccc(CN(C)C)c1 ZINC000172772036 527714048 /nfs/dbraw/zinc/71/40/48/527714048.db2.gz MRFMPMWFZVOUKD-UHFFFAOYSA-N 0 3 301.434 3.150 20 30 DGEDHN CC1(C)C[C@H](NC(=O)C(C#N)CCc2ccccc2)C(C)(C)O1 ZINC000331195110 527737551 /nfs/dbraw/zinc/73/75/51/527737551.db2.gz NCYICAAEVABPRE-HOTGVXAUSA-N 0 3 314.429 3.221 20 30 DGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(OC)c2)C12CCC2 ZINC000442877304 528130197 /nfs/dbraw/zinc/13/01/97/528130197.db2.gz AIOSUVURAHJQRH-ROUUACIJSA-N 0 3 314.429 3.346 20 30 DGEDHN CCCN(Cc1ccccc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356136439 528146404 /nfs/dbraw/zinc/14/64/04/528146404.db2.gz XRIWCYGWHQUFCW-LPHOPBHVSA-N 0 3 315.461 3.342 20 30 DGEDHN CC(C)Oc1ccc(NC(=O)C(C)C(F)(F)F)cc1C#N ZINC000435357538 528193279 /nfs/dbraw/zinc/19/32/79/528193279.db2.gz KLVQIWHXVBHJJC-SECBINFHSA-N 0 3 300.280 3.482 20 30 DGEDHN CCC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000181769989 528214578 /nfs/dbraw/zinc/21/45/78/528214578.db2.gz FKVRBPKIDQUHJT-WBVHZDCISA-N 0 3 301.434 3.126 20 30 DGEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000441637825 528598252 /nfs/dbraw/zinc/59/82/52/528598252.db2.gz WFKYEBJBEAVOGI-KRWDZBQOSA-N 0 3 313.445 3.075 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000338052094 528632007 /nfs/dbraw/zinc/63/20/07/528632007.db2.gz JVEOHSAVIFLCGW-HNNXBMFYSA-N 0 3 313.445 3.293 20 30 DGEDHN CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000343417726 528646685 /nfs/dbraw/zinc/64/66/85/528646685.db2.gz NVHGWUNJUAAOPQ-GOSISDBHSA-N 0 3 323.444 3.305 20 30 DGEDHN CCCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347044311 528689624 /nfs/dbraw/zinc/68/96/24/528689624.db2.gz XRZXQPWYTLTBSF-CHWSQXEVSA-N 0 3 304.390 3.211 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000330814958 528959685 /nfs/dbraw/zinc/95/96/85/528959685.db2.gz NCTJMVCHHKLZLR-UHFFFAOYSA-N 0 3 313.348 3.098 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ncc(C(C)(C)C)s2)CC1 ZINC000330909597 528960092 /nfs/dbraw/zinc/96/00/92/528960092.db2.gz UYCVSJFSMYIKLB-UHFFFAOYSA-N 0 3 310.467 3.251 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355978132 528996752 /nfs/dbraw/zinc/99/67/52/528996752.db2.gz CCKDQFSXEMGQCY-QZTJIDSGSA-N 0 3 313.445 3.065 20 30 DGEDHN CCC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000181770008 529004090 /nfs/dbraw/zinc/00/40/90/529004090.db2.gz FKVRBPKIDQUHJT-NVXWUHKLSA-N 0 3 301.434 3.126 20 30 DGEDHN CCN(C(=O)C(C)C#N)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000345647087 529032432 /nfs/dbraw/zinc/03/24/32/529032432.db2.gz SRROSWURUOINED-MAUKXSAKSA-N 0 3 307.397 3.488 20 30 DGEDHN CC[C@H](C)N[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccco1 ZINC000359538418 529182686 /nfs/dbraw/zinc/18/26/86/529182686.db2.gz BAQZTCVQORKPKM-LSDHHAIUSA-N 0 3 317.433 3.299 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000346542010 529204918 /nfs/dbraw/zinc/20/49/18/529204918.db2.gz NJYPMECYEMOTAR-IUODEOHRSA-N 0 3 319.836 3.332 20 30 DGEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000444677417 529279907 /nfs/dbraw/zinc/27/99/07/529279907.db2.gz PQOGCWRIUMCEQW-MSOLQXFVSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1C ZINC000331058714 529287459 /nfs/dbraw/zinc/28/74/59/529287459.db2.gz ASKRKOIAOGRXRF-DVOMOZLQSA-N 0 3 306.454 3.196 20 30 DGEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000444681474 529288331 /nfs/dbraw/zinc/28/83/31/529288331.db2.gz ZYRSXCYPZHBTGB-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000353105712 529348482 /nfs/dbraw/zinc/34/84/82/529348482.db2.gz BUZBCSYYAREHRE-DNVCBOLYSA-N 0 3 313.445 3.268 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C12CCC2 ZINC000451478401 535408363 /nfs/dbraw/zinc/40/83/63/535408363.db2.gz JWEAWILQGAGENS-IAGOWNOFSA-N 0 3 300.402 3.004 20 30 DGEDHN CCN1CCC(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455758015 535470498 /nfs/dbraw/zinc/47/04/98/535470498.db2.gz USSCCEARLNAHQZ-UHFFFAOYSA-N 0 3 320.824 3.012 20 30 DGEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000451773178 535544341 /nfs/dbraw/zinc/54/43/41/535544341.db2.gz BSUHVWVWNVVTCP-HIFRSBDPSA-N 0 3 306.793 3.033 20 30 DGEDHN CC[C@H](CC#N)NC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496171542 536055468 /nfs/dbraw/zinc/05/54/68/536055468.db2.gz PJCAZNAYLLIHRU-RRFJBIMHSA-N 0 3 309.454 3.304 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451502001 536645754 /nfs/dbraw/zinc/64/57/54/536645754.db2.gz PEIDGOGNSJXNQO-IRXDYDNUSA-N 0 3 302.418 3.249 20 30 DGEDHN CO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)CC1(C)C ZINC000456156180 536673849 /nfs/dbraw/zinc/67/38/49/536673849.db2.gz YGMQPSWEKDQNPS-IAGOWNOFSA-N 0 3 314.429 3.032 20 30 DGEDHN C=CCN(CCCC(=O)Nc1c(C)cc(C)cc1C)CCOC ZINC000191112353 546221810 /nfs/dbraw/zinc/22/18/10/546221810.db2.gz ZPXYEAYPGUQIFF-UHFFFAOYSA-N 0 3 318.461 3.465 20 30 DGEDHN C=CCN1CC[C@@H](N[C@H](c2cccc(F)c2)C(C)(C)C)C1=O ZINC000499613206 546940493 /nfs/dbraw/zinc/94/04/93/546940493.db2.gz VVAUVQRVXPOION-HZPDHXFCSA-N 0 3 304.409 3.289 20 30 DGEDHN CC[C@H]1CCc2nc(NC(=O)[C@@H](N)CCCCC#N)sc2C1 ZINC000594426056 547031974 /nfs/dbraw/zinc/03/19/74/547031974.db2.gz CIXHNGHBSAZTHJ-RYUDHWBXSA-N 0 3 320.462 3.008 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccsc2)CC1 ZINC000669859566 547696419 /nfs/dbraw/zinc/69/64/19/547696419.db2.gz DPEHDEMOYPIHDK-ZDUSSCGKSA-N 0 3 307.463 3.149 20 30 DGEDHN C=C(C)[C@@H](CO)N1CCCN(c2cccc(Cl)c2C)CC1 ZINC000671244123 547780159 /nfs/dbraw/zinc/78/01/59/547780159.db2.gz HQFOUHWJPOFTPF-QGZVFWFLSA-N 0 3 308.853 3.098 20 30 DGEDHN C=C(CN[C@@H](C)CC(=O)NCCc1ccccc1)c1ccccc1 ZINC000675782846 548269796 /nfs/dbraw/zinc/26/97/96/548269796.db2.gz ZOVNPFYLCDYLPQ-SFHVURJKSA-N 0 3 322.452 3.427 20 30 DGEDHN C=CCNc1ncc(C(=O)Nc2ccccc2CN(C)C)s1 ZINC000676335245 548349446 /nfs/dbraw/zinc/34/94/46/548349446.db2.gz CSEYSTFCOMZHNH-UHFFFAOYSA-N 0 3 316.430 3.055 20 30 DGEDHN C=C(C)[C@@H](CO)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000678049148 548600841 /nfs/dbraw/zinc/60/08/41/548600841.db2.gz FTRNSSBHWNHRFU-IUODEOHRSA-N 0 3 316.228 3.384 20 30 DGEDHN C=CC[C@H](CO)CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000678731943 548754122 /nfs/dbraw/zinc/75/41/22/548754122.db2.gz BACFIURIYKTGIC-ZDUSSCGKSA-N 0 3 318.442 3.093 20 30 DGEDHN COCC#CCN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000678751165 548756398 /nfs/dbraw/zinc/75/63/98/548756398.db2.gz DLHUJAHHNWCZIV-HNNXBMFYSA-N 0 3 305.418 3.030 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678782712 548762869 /nfs/dbraw/zinc/76/28/69/548762869.db2.gz MQWOJDOTIOSQEX-HUUCEWRRSA-N 0 3 317.351 3.310 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000679576747 548920417 /nfs/dbraw/zinc/92/04/17/548920417.db2.gz SBEFUUIYYWBYEJ-NSHDSACASA-N 0 3 301.333 3.150 20 30 DGEDHN C=CC[C@@H](CO)NCc1cc(F)ccc1N(C)C[C@H](C)CC ZINC000680485217 549059378 /nfs/dbraw/zinc/05/93/78/549059378.db2.gz VPOYSGKPBXBRPJ-PBHICJAKSA-N 0 3 308.441 3.335 20 30 DGEDHN COCc1cncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000680933878 549131760 /nfs/dbraw/zinc/13/17/60/549131760.db2.gz FVQZRZGXFRGVPU-MRXNPFEDSA-N 0 3 317.348 3.266 20 30 DGEDHN C=CCN(C)C(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000681674798 549240837 /nfs/dbraw/zinc/24/08/37/549240837.db2.gz TYSPVLYFNQNVKH-INIZCTEOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccc(F)c(F)c1 ZINC000684194259 549591050 /nfs/dbraw/zinc/59/10/50/549591050.db2.gz DQLNWPQVWMREMO-SJKOYZFVSA-N 0 3 318.371 3.110 20 30 DGEDHN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417223 574528832 /nfs/dbraw/zinc/52/88/32/574528832.db2.gz NLZRHOQXAPNKOZ-HOSYDEDBSA-N 0 3 304.346 3.037 20 30 DGEDHN C=C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000731032038 574542080 /nfs/dbraw/zinc/54/20/80/574542080.db2.gz BZRRTRAJTBCTRP-ZDUSSCGKSA-N 0 3 311.410 3.125 20 30 DGEDHN CC[C@@H](C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732205288 574568263 /nfs/dbraw/zinc/56/82/63/574568263.db2.gz FCAHUAQTGZCDJE-OLZOCXBDSA-N 0 3 315.442 3.450 20 30 DGEDHN CN(C)CCOc1ccc(N(C)Cc2ccc(C#N)cc2)cc1 ZINC000732411193 574573967 /nfs/dbraw/zinc/57/39/67/574573967.db2.gz SNHQPMWGJMZAHK-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1csc2ccccc21 ZINC000732918418 574587368 /nfs/dbraw/zinc/58/73/68/574587368.db2.gz LJBHCRGOQFKJRX-OLZOCXBDSA-N 0 3 315.442 3.312 20 30 DGEDHN Cc1nc(C=NNc2cnnc3ccccc32)c2ccccn12 ZINC000733748035 574636390 /nfs/dbraw/zinc/63/63/90/574636390.db2.gz CLMVTUCSZPOBLU-UHFFFAOYSA-N 0 3 302.341 3.032 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000740736209 574940799 /nfs/dbraw/zinc/94/07/99/574940799.db2.gz JLSQXCZBOHGZSR-UHFFFAOYSA-N 0 3 323.440 3.002 20 30 DGEDHN C[C@H]1CC(N=Nc2ncnc3sc4c(c32)CCC4)CCN1C ZINC000741458184 574958295 /nfs/dbraw/zinc/95/82/95/574958295.db2.gz YLNHCTHUMWSSKG-JTQLQIEISA-N 0 3 315.446 3.062 20 30 DGEDHN CCN1CCC(=NNC(=S)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000741458815 574958380 /nfs/dbraw/zinc/95/83/80/574958380.db2.gz YHQGNJVKJUPTCV-LLVKDONJSA-N 0 3 324.881 3.344 20 30 DGEDHN C[C@@H]1CC(N=Nc2ncnc3c4ccccc4oc32)CCN1C ZINC000741462822 574958562 /nfs/dbraw/zinc/95/85/62/574958562.db2.gz WHQMSBKONKUDHH-LLVKDONJSA-N 0 3 309.373 3.258 20 30 DGEDHN C[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])CC[N@@H+]1C ZINC000741465373 574958565 /nfs/dbraw/zinc/95/85/65/574958565.db2.gz VBDQLOPVAYKJAA-AKSKDWEKSA-N 0 3 311.223 3.056 20 30 DGEDHN C[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])CC[N@H+]1C ZINC000741465373 574958566 /nfs/dbraw/zinc/95/85/66/574958566.db2.gz VBDQLOPVAYKJAA-AKSKDWEKSA-N 0 3 311.223 3.056 20 30 DGEDHN C#CCOc1ccc(CNC[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000742379740 574994142 /nfs/dbraw/zinc/99/41/42/574994142.db2.gz GUFRCVILDRQYTC-OAHLLOKOSA-N 0 3 313.372 3.395 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(C)C ZINC000743328973 575043751 /nfs/dbraw/zinc/04/37/51/575043751.db2.gz CTTDDDKFXZMQTI-QGZVFWFLSA-N 0 3 303.450 3.204 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744022106 575068778 /nfs/dbraw/zinc/06/87/78/575068778.db2.gz HWKGEEOQGQAFPY-SWLSCSKDSA-N 0 3 320.820 3.459 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=C(C)C(C)(C)C ZINC000744033936 575068985 /nfs/dbraw/zinc/06/89/85/575068985.db2.gz YYZYGLJJVNJWAE-KXXVWKPMSA-N 0 3 314.385 3.335 20 30 DGEDHN C#CCN(C[C@@H](O)COc1c(C)cccc1C)C1CCCCC1 ZINC000744213840 575079091 /nfs/dbraw/zinc/07/90/91/575079091.db2.gz MWZPCHVZPBOGAX-LJQANCHMSA-N 0 3 315.457 3.311 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000729942620 575267700 /nfs/dbraw/zinc/26/77/00/575267700.db2.gz PPWXYWPZDKHGBV-HOCLYGCPSA-N 0 3 309.523 3.070 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)N[C@H](C)c2cccs2)CC1 ZINC000729942788 575267740 /nfs/dbraw/zinc/26/77/40/575267740.db2.gz RYWKBYFPKMHPEQ-CYBMUJFWSA-N 0 3 323.531 3.314 20 30 DGEDHN N#Cc1ccc(CN(C[C@H](O)c2cccc(F)c2)C2CC2)cc1 ZINC000746115216 575433768 /nfs/dbraw/zinc/43/37/68/575433768.db2.gz QCJYUSUTEFWLBW-IBGZPJMESA-N 0 3 310.372 3.395 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N1CCC(c2cccc3ccccc32)CC1 ZINC000746707333 575471271 /nfs/dbraw/zinc/47/12/71/575471271.db2.gz BYWOFFCHVCPQFT-MRXNPFEDSA-N 0 3 320.436 3.157 20 30 DGEDHN COc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1C#N ZINC000746742159 575472723 /nfs/dbraw/zinc/47/27/23/575472723.db2.gz QDFBKBATLUCDRE-AWEZNQCLSA-N 0 3 321.380 3.148 20 30 DGEDHN CCOc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1O ZINC000747925202 575551536 /nfs/dbraw/zinc/55/15/36/575551536.db2.gz ZMHHAHYEKKQUKI-UHFFFAOYSA-N 0 3 308.381 3.441 20 30 DGEDHN CC(=NNc1ccc(C#N)cc1)c1ccc(OCCN(C)C)cc1 ZINC000748132894 575562838 /nfs/dbraw/zinc/56/28/38/575562838.db2.gz GTCPYHXUMZQBJU-UHFFFAOYSA-N 0 3 322.412 3.335 20 30 DGEDHN CCCCCCCCOCC(=O)N1CCC12CCN(C)CC2 ZINC000748326699 575580836 /nfs/dbraw/zinc/58/08/36/575580836.db2.gz XERFWLVLRCHJKN-UHFFFAOYSA-N 0 3 310.482 3.060 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCC(C)(O)CC2)c([O-])c1 ZINC000749844097 575682549 /nfs/dbraw/zinc/68/25/49/575682549.db2.gz HLSXEPGPXHEBCI-CPNJWEJPSA-N 0 3 304.434 3.351 20 30 DGEDHN Cc1cccnc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000750683413 575745198 /nfs/dbraw/zinc/74/51/98/575745198.db2.gz CYXRTKUXSSCIJQ-CYBMUJFWSA-N 0 3 313.744 3.005 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000751992088 575816949 /nfs/dbraw/zinc/81/69/49/575816949.db2.gz HDPQIZGOSQMLTM-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)COc1cccc(NC(=S)NC2CCN(C)CC2)c1 ZINC000727284331 576117919 /nfs/dbraw/zinc/11/79/19/576117919.db2.gz XNJAGZKDVBNJOX-UHFFFAOYSA-N 0 3 319.474 3.022 20 30 DGEDHN C#Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)nc1 ZINC000728811971 576208276 /nfs/dbraw/zinc/20/82/76/576208276.db2.gz NYKZEZWPVNEGPE-UHFFFAOYSA-N 0 3 319.408 3.301 20 30 DGEDHN CCN(Cc1cc(C#N)ccc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000154142596 620643465 /nfs/dbraw/zinc/64/34/65/620643465.db2.gz XNARVFDOGWARFH-IBGZPJMESA-N 0 3 324.424 3.431 20 30 DGEDHN C#CCCN(CCOC)Cc1cccc(OC(F)(F)F)c1 ZINC000852749543 620645465 /nfs/dbraw/zinc/64/54/65/620645465.db2.gz ACUIZQYKWGEYBY-UHFFFAOYSA-N 0 3 301.308 3.057 20 30 DGEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916883306 620648898 /nfs/dbraw/zinc/64/88/98/620648898.db2.gz IRBVSJFNZFKPBR-NSHDSACASA-N 0 3 314.719 3.423 20 30 DGEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916885146 620648915 /nfs/dbraw/zinc/64/89/15/620648915.db2.gz OFSFEOQAWXPREQ-LBPRGKRZSA-N 0 3 310.806 3.129 20 30 DGEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916885145 620648923 /nfs/dbraw/zinc/64/89/23/620648923.db2.gz OFSFEOQAWXPREQ-GFCCVEGCSA-N 0 3 310.806 3.129 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC2CCCC2)c1 ZINC000916890532 620649297 /nfs/dbraw/zinc/64/92/97/620649297.db2.gz KSFJWTBTQMHBEX-INIZCTEOSA-N 0 3 314.385 3.313 20 30 DGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916924408 620649684 /nfs/dbraw/zinc/64/96/84/620649684.db2.gz CQEAAVFQYBGACG-LLVKDONJSA-N 0 3 324.327 3.168 20 30 DGEDHN CC(C)CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917170662 620659609 /nfs/dbraw/zinc/65/96/09/620659609.db2.gz USMVTIOHKVKNRK-ZDUSSCGKSA-N 0 3 315.442 3.450 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1SCCN1CCCC1 ZINC000917512985 620671962 /nfs/dbraw/zinc/67/19/62/620671962.db2.gz KPJHAZOONZNMMJ-UHFFFAOYSA-N 0 3 301.337 3.160 20 30 DGEDHN C#Cc1cccnc1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000853454006 620696341 /nfs/dbraw/zinc/69/63/41/620696341.db2.gz KCRNQJXFXNTWEO-HNNXBMFYSA-N 0 3 306.413 3.095 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000853597830 620714395 /nfs/dbraw/zinc/71/43/95/620714395.db2.gz GNYNVLGPSAFVGQ-NSHGMRRFSA-N 0 3 310.441 3.317 20 30 DGEDHN C#CCN(C[C@@H](O)COc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000918739382 620723430 /nfs/dbraw/zinc/72/34/30/620723430.db2.gz NLNOGUUWVWATDA-WIYYLYMNSA-N 0 3 321.420 3.049 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@](C)(CCC)c2ccccc2)CC1 ZINC000889484467 617820375 /nfs/dbraw/zinc/82/03/75/617820375.db2.gz RRXAFCXMNDHTLQ-HXUWFJFHSA-N 0 3 312.457 3.163 20 30 DGEDHN FC(F)(F)CNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841634894 618041494 /nfs/dbraw/zinc/04/14/94/618041494.db2.gz XHMWNIAAWJBHBV-OAHLLOKOSA-N 0 3 311.351 3.494 20 30 DGEDHN C=CCCCC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854334740 620795761 /nfs/dbraw/zinc/79/57/61/620795761.db2.gz QFCPGDNNRRWJLK-KRWDZBQOSA-N 0 3 324.509 3.063 20 30 DGEDHN CCc1[nH]c(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C(=O)OC ZINC000894589225 618395225 /nfs/dbraw/zinc/39/52/25/618395225.db2.gz LZCULYBOUDXGJY-GOSISDBHSA-N 0 3 323.396 3.012 20 30 DGEDHN C#C[C@H](NC[C@@H]1CCSC1)c1ccc(Br)cc1 ZINC000894870984 618483579 /nfs/dbraw/zinc/48/35/79/618483579.db2.gz REONXQFMJQTSKW-FZMZJTMJSA-N 0 3 310.260 3.466 20 30 DGEDHN C#C[C@@H](NC[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870048 618483805 /nfs/dbraw/zinc/48/38/05/618483805.db2.gz HQSNSAXNDDDYRL-IUODEOHRSA-N 0 3 308.219 3.140 20 30 DGEDHN C#C[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000894871136 618484322 /nfs/dbraw/zinc/48/43/22/618484322.db2.gz RRLGUPPBTZHQSB-DFBGVHRSSA-N 0 3 308.219 3.281 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)CCCC#N)cc1C(F)(F)F ZINC000894984197 618507954 /nfs/dbraw/zinc/50/79/54/618507954.db2.gz JNKFDIBTQIUFIH-UHFFFAOYSA-N 0 3 313.323 3.399 20 30 DGEDHN N#Cc1ccc(C2(NCc3cn4ccnc4s3)CCC2)cc1 ZINC000895215092 618576017 /nfs/dbraw/zinc/57/60/17/618576017.db2.gz KXUXVVMTNVPRFM-UHFFFAOYSA-N 0 3 308.410 3.436 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136920485 618618052 /nfs/dbraw/zinc/61/80/52/618618052.db2.gz ZPXPAKGWUOFUFD-SFHVURJKSA-N 0 3 312.369 3.316 20 30 DGEDHN CCC[C@H](NC1CCN(CC#N)CC1)c1ncccc1Cl ZINC000925002304 618761116 /nfs/dbraw/zinc/76/11/16/618761116.db2.gz JYYFVEKQSCGERL-HNNXBMFYSA-N 0 3 306.841 3.154 20 30 DGEDHN C#CC1(O)CCN(C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000895384491 618777020 /nfs/dbraw/zinc/77/70/20/618777020.db2.gz PXYBQDZCCOIZHZ-OWBHPGMISA-N 0 3 321.367 3.151 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2N(C)C)C1 ZINC000895562495 618799502 /nfs/dbraw/zinc/79/95/02/618799502.db2.gz IBUJDMMOOKBTSE-GFCCVEGCSA-N 0 3 311.351 3.012 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000895675608 618815040 /nfs/dbraw/zinc/81/50/40/618815040.db2.gz RUZOMSJKBWAPCK-UHFFFAOYSA-N 0 3 318.436 3.022 20 30 DGEDHN C#CCC1(O)CCN(C/C(C)=C/c2ccccc2COC)CC1 ZINC000895670834 618816378 /nfs/dbraw/zinc/81/63/78/618816378.db2.gz WGHNSIARYJVIQP-SAPNQHFASA-N 0 3 313.441 3.087 20 30 DGEDHN COC1(OC)CC2(CN(Cc3cccc(C#N)c3)[C@H]2C(C)C)C1 ZINC000895996065 618860308 /nfs/dbraw/zinc/86/03/08/618860308.db2.gz NVBFHMFHBLZVTM-KRWDZBQOSA-N 0 3 314.429 3.168 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cscc2C(F)F)CC1 ZINC000896208582 618886486 /nfs/dbraw/zinc/88/64/86/618886486.db2.gz JBQRAJUASSHCDW-UHFFFAOYSA-N 0 3 300.374 3.066 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1nccc2c1CCCC2 ZINC000896280810 618896229 /nfs/dbraw/zinc/89/62/29/618896229.db2.gz KTSFZMJOBAWUKM-OAHLLOKOSA-N 0 3 313.445 3.149 20 30 DGEDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896651741 618941118 /nfs/dbraw/zinc/94/11/18/618941118.db2.gz XJFCISYTOGETDQ-MRXNPFEDSA-N 0 3 322.412 3.044 20 30 DGEDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896651741 618941121 /nfs/dbraw/zinc/94/11/21/618941121.db2.gz XJFCISYTOGETDQ-MRXNPFEDSA-N 0 3 322.412 3.044 20 30 DGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896810802 618962728 /nfs/dbraw/zinc/96/27/28/618962728.db2.gz CERLZMCVXHBDNW-SMDDNHRTSA-N 0 3 316.298 3.287 20 30 DGEDHN C=C1CCC(C[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1 ZINC000896838192 618967810 /nfs/dbraw/zinc/96/78/10/618967810.db2.gz FGODBZUKWHFISG-UHFFFAOYSA-N 0 3 306.362 3.145 20 30 DGEDHN C=CCOc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000897034864 619004596 /nfs/dbraw/zinc/00/45/96/619004596.db2.gz OBZZFTQWRVDPGZ-UHFFFAOYSA-N 0 3 301.430 3.378 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000897330917 619060222 /nfs/dbraw/zinc/06/02/22/619060222.db2.gz JHIBBTHKQZTTHG-JMSVASOKSA-N 0 3 312.335 3.411 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000897420368 619109484 /nfs/dbraw/zinc/10/94/84/619109484.db2.gz RUNZCTAEIBIZKS-HNAYVOBHSA-N 0 3 306.409 3.089 20 30 DGEDHN N#CC1CCC(CN2CCN(Cc3ccsc3)CC2)CC1 ZINC000929097986 619154220 /nfs/dbraw/zinc/15/42/20/619154220.db2.gz TYZVJERGBYWWNO-UHFFFAOYSA-N 0 3 303.475 3.196 20 30 DGEDHN CSCc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000897599556 619165222 /nfs/dbraw/zinc/16/52/22/619165222.db2.gz QDEVFNUQBUQZKZ-UHFFFAOYSA-N 0 3 317.454 3.387 20 30 DGEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC000897625615 619168655 /nfs/dbraw/zinc/16/86/55/619168655.db2.gz HGPYCBROSCWZGN-HFBAOOFYSA-N 0 3 313.426 3.305 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897650758 619171150 /nfs/dbraw/zinc/17/11/50/619171150.db2.gz OBKUZYKMJYTANF-NVXWUHKLSA-N 0 3 304.434 3.205 20 30 DGEDHN C=CC(C)(C)CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897898639 619193484 /nfs/dbraw/zinc/19/34/84/619193484.db2.gz OTUXBNAWLKFCEV-INIZCTEOSA-N 0 3 304.434 3.063 20 30 DGEDHN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000898165989 619219785 /nfs/dbraw/zinc/21/97/85/619219785.db2.gz VOEVTACIYXCRIQ-ZBFHGGJFSA-N 0 3 318.392 3.297 20 30 DGEDHN C[C@@H]1CC(NN=C2CCCC[C@H]2N2CCCCC2)C[C@@H](C)O1 ZINC000901309394 619483663 /nfs/dbraw/zinc/48/36/63/619483663.db2.gz AAYJASOALUESHS-IIDMSEBBSA-N 0 3 307.482 3.317 20 30 DGEDHN CCc1ccc([C@H](CN[C@H](C)c2cc(C#N)ccn2)N(C)C)cc1 ZINC000902720699 619665786 /nfs/dbraw/zinc/66/57/86/619665786.db2.gz MMCYALMOUVDKEY-QRWLVFNGSA-N 0 3 322.456 3.469 20 30 DGEDHN C[C@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1cc(C#N)ccn1 ZINC000902757804 619671075 /nfs/dbraw/zinc/67/10/75/619671075.db2.gz YSWDNAMQYAXHQY-UGSOOPFHSA-N 0 3 312.392 3.046 20 30 DGEDHN C[C@H](NCCN1c2ccccc2C[C@@H]1C)c1cc(C#N)ccn1 ZINC000902776503 619673911 /nfs/dbraw/zinc/67/39/11/619673911.db2.gz QOWQQTRERBBOMO-GJZGRUSLSA-N 0 3 306.413 3.055 20 30 DGEDHN C[C@H](NC[C@H](CO)c1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902989765 619700190 /nfs/dbraw/zinc/70/01/90/619700190.db2.gz MXHJMRKQCNOXIJ-SWLSCSKDSA-N 0 3 315.804 3.033 20 30 DGEDHN C[C@@H](NC[C@H](CO)c1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902989764 619700234 /nfs/dbraw/zinc/70/02/34/619700234.db2.gz MXHJMRKQCNOXIJ-IUODEOHRSA-N 0 3 315.804 3.033 20 30 DGEDHN C[C@H](NCCOc1ccc(F)c(Cl)c1)c1cc(C#N)ccn1 ZINC000903004451 619703670 /nfs/dbraw/zinc/70/36/70/619703670.db2.gz BFNJEGFHHLNFOS-NSHDSACASA-N 0 3 319.767 3.475 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903009517 619704117 /nfs/dbraw/zinc/70/41/17/619704117.db2.gz AMRFZERYJWDBAS-GDLCADMTSA-N 0 3 300.324 3.485 20 30 DGEDHN Cc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(C#N)ccn3)C2)cc1 ZINC000903081585 619712579 /nfs/dbraw/zinc/71/25/79/619712579.db2.gz ONPFTOPGUOCTAG-LPHOPBHVSA-N 0 3 320.440 3.187 20 30 DGEDHN C=CCC[C@H](NCC(=O)N(CC)c1ccccc1)[C@@H]1CCCO1 ZINC000903194555 619734212 /nfs/dbraw/zinc/73/42/12/619734212.db2.gz FALVTFMJUSWTPZ-ROUUACIJSA-N 0 3 316.445 3.143 20 30 DGEDHN CC[C@@](O)(CCC(F)(F)F)CN[C@H](C)c1cc(C#N)ccn1 ZINC000903256806 619745919 /nfs/dbraw/zinc/74/59/19/619745919.db2.gz QKLSAYCQXGQARV-BXUZGUMPSA-N 0 3 315.339 3.087 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cnn(CCF)c1 ZINC000903274986 619750954 /nfs/dbraw/zinc/75/09/54/619750954.db2.gz UZFYHUKKRQGDQZ-SFHVURJKSA-N 0 3 312.392 3.282 20 30 DGEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(C)c1OC(F)F ZINC000905079964 619967931 /nfs/dbraw/zinc/96/79/31/619967931.db2.gz HZXRIDHEGYTLLZ-GWHHBTOMSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C\c2cccc(OC3CCCC3)c2)C(=O)c2ncnn21 ZINC000905082000 619968207 /nfs/dbraw/zinc/96/82/07/619968207.db2.gz VAYLJEVBJSRBSN-SEJMYLSOSA-N 0 3 309.369 3.440 20 30 DGEDHN COCc1ccccc1/C=C(C)/C=C1\C(=O)c2ncnn2C1C ZINC000905085098 619968693 /nfs/dbraw/zinc/96/86/93/619968693.db2.gz MDUAUGVDTMBIKA-BCBUIBBBSA-N 0 3 309.369 3.212 20 30 DGEDHN N#CCC1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000907289150 620148237 /nfs/dbraw/zinc/14/82/37/620148237.db2.gz KLHOCJUPLKFJCY-UHFFFAOYSA-N 0 3 310.401 3.057 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000912239827 620374049 /nfs/dbraw/zinc/37/40/49/620374049.db2.gz XJXUKTTVJMFIDZ-LLVKDONJSA-N 0 3 304.287 3.467 20 30 DGEDHN CN(C)Cc1ccccc1NC(=O)/C=C/c1ccccc1C#N ZINC000915269621 620577323 /nfs/dbraw/zinc/57/73/23/620577323.db2.gz WEUUZESJJBCNQH-VAWYXSNFSA-N 0 3 305.381 3.272 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(N2CCCC2)c1 ZINC000921518160 620895948 /nfs/dbraw/zinc/89/59/48/620895948.db2.gz IWYDWVFIMANTIO-UHFFFAOYSA-N 0 3 320.440 3.460 20 30 DGEDHN COCCOc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921524472 620896598 /nfs/dbraw/zinc/89/65/98/620896598.db2.gz OCYDXSFNSNXFCL-UHFFFAOYSA-N 0 3 324.424 3.490 20 30 DGEDHN COc1ccc(O[C@@H](C)CNCc2csc(C#N)c2)cc1 ZINC000921791561 620949989 /nfs/dbraw/zinc/94/99/89/620949989.db2.gz DUGBPGFZRPDFMZ-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN CO[C@H](CNCc1cc(C#N)ccc1Br)C(C)C ZINC000921807430 620952438 /nfs/dbraw/zinc/95/24/38/620952438.db2.gz QPKOEUXZYOQDHI-CQSZACIVSA-N 0 3 311.223 3.081 20 30 DGEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC000888400484 620954488 /nfs/dbraw/zinc/95/44/88/620954488.db2.gz ZQXSVHGRLXECBL-HIFRSBDPSA-N 0 3 316.401 3.044 20 30 DGEDHN C[C@@H](NCc1csc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000922143211 620995084 /nfs/dbraw/zinc/99/50/84/620995084.db2.gz HLXFIUOHCVPBRU-MEBBXXQBSA-N 0 3 304.440 3.473 20 30 DGEDHN C[C@H](NCc1csc(C#N)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000922153560 620996551 /nfs/dbraw/zinc/99/65/51/620996551.db2.gz NZCASKSJYTVMAO-QWRGUYRKSA-N 0 3 309.435 3.011 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NCc1nc(Br)c[nH]1 ZINC000922185088 621002580 /nfs/dbraw/zinc/00/25/80/621002580.db2.gz VBLUFSYDLXHVOM-CYBMUJFWSA-N 0 3 320.234 3.449 20 30 DGEDHN C[C@@]1(CNCc2cc(C#N)ccc2Br)CC1(F)F ZINC000922251030 621013208 /nfs/dbraw/zinc/01/32/08/621013208.db2.gz RAPURUABYDOYOT-LBPRGKRZSA-N 0 3 315.161 3.456 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922988235 621144405 /nfs/dbraw/zinc/14/44/05/621144405.db2.gz OJWSYHRHRKGXHT-XMCHAPAWSA-N 0 3 322.408 3.115 20 30 DGEDHN C#CC[C@H](COC)NCc1cc2cc(Br)ccc2o1 ZINC000858334788 621177411 /nfs/dbraw/zinc/17/74/11/621177411.db2.gz RSJDGHVIADDWJM-CYBMUJFWSA-N 0 3 322.202 3.323 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000116592016 621255166 /nfs/dbraw/zinc/25/51/66/621255166.db2.gz WOOXKWCYBJYXFD-XJKSGUPXSA-N 0 3 318.392 3.335 20 30 DGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000838864880 621292602 /nfs/dbraw/zinc/29/26/02/621292602.db2.gz JBPUKBMHBNPRAL-ZIAGYGMSSA-N 0 3 322.355 3.002 20 30 DGEDHN C#C[C@H](NCc1ccccc1N1CCO[C@@H](C)C1)C(C)(C)C ZINC000839105630 621329865 /nfs/dbraw/zinc/32/98/65/621329865.db2.gz YGWRWLKGKBJMCJ-YJBOKZPZSA-N 0 3 300.446 3.049 20 30 DGEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000103330156 621348907 /nfs/dbraw/zinc/34/89/07/621348907.db2.gz RZJNBNYPJRQBTI-RISCZKNCSA-N 0 3 312.394 3.239 20 30 DGEDHN N#CCC1(COC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000805888409 625482374 /nfs/dbraw/zinc/48/23/74/625482374.db2.gz IBMQNYCFILJUAP-UHFFFAOYSA-N 0 3 312.413 3.136 20 30 DGEDHN CCC[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000860472513 621408521 /nfs/dbraw/zinc/40/85/21/621408521.db2.gz BNPSGFLFPRJNLJ-GJZGRUSLSA-N 0 3 318.804 3.211 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2(C)CCOCC2)c([O-])c1 ZINC000753139302 621427593 /nfs/dbraw/zinc/42/75/93/621427593.db2.gz SBOATTYJVLYNAK-UYRXBGFRSA-N 0 3 304.434 3.474 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@H](OC)C2(C)C)c([O-])c1 ZINC000753139885 621427656 /nfs/dbraw/zinc/42/76/56/621427656.db2.gz XLKXDHGZDKZAHI-KWOWTXELSA-N 0 3 304.434 3.471 20 30 DGEDHN C[C@@H](NCCCC#N)c1ccc(N2CCOCC2)cc1Cl ZINC000753735061 621462443 /nfs/dbraw/zinc/46/24/43/621462443.db2.gz PSQIXABQMJCFLN-CYBMUJFWSA-N 0 3 307.825 3.131 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000754349139 621504628 /nfs/dbraw/zinc/50/46/28/621504628.db2.gz KOXSBQHCBVPXIJ-HNNXBMFYSA-N 0 3 309.413 3.333 20 30 DGEDHN C=C(Br)COC(=O)C(C)(C)N(C)C1CCCC1 ZINC000754873252 621539346 /nfs/dbraw/zinc/53/93/46/621539346.db2.gz NPNSSZLVGWJLJV-UHFFFAOYSA-N 0 3 304.228 3.091 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCC#Cc1ccc(F)cc1 ZINC000754875346 621539436 /nfs/dbraw/zinc/53/94/36/621539436.db2.gz ZKFJEQIGUAHBOQ-UHFFFAOYSA-N 0 3 317.404 3.373 20 30 DGEDHN C[C@@H](CCC#N)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000839539090 621692993 /nfs/dbraw/zinc/69/29/93/621692993.db2.gz JAFORLRTBZVMJK-KBPBESRZSA-N 0 3 319.424 3.130 20 30 DGEDHN C=CCN(C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000757772773 621738507 /nfs/dbraw/zinc/73/85/07/621738507.db2.gz KUDQBZWBNQCVCS-SJLPKXTDSA-N 0 3 315.461 3.255 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](/N=C/c3cccc(O)c3O)C2)cc1 ZINC000864347561 621759177 /nfs/dbraw/zinc/75/91/77/621759177.db2.gz UESQPXHAORXPNR-MLHZQLSASA-N 0 3 310.397 3.100 20 30 DGEDHN Fc1ccc(CCN2CCC(=NOCC(F)F)CC2)cc1 ZINC000758906545 621809987 /nfs/dbraw/zinc/80/99/87/621809987.db2.gz JABHCUTYBUSNER-UHFFFAOYSA-N 0 3 300.324 3.102 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1sccc1CC#N ZINC000865076495 621855753 /nfs/dbraw/zinc/85/57/53/621855753.db2.gz KXEUXTMBSWLYGV-HNNXBMFYSA-N 0 3 319.474 3.199 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000759644003 621878498 /nfs/dbraw/zinc/87/84/98/621878498.db2.gz QBGHMBNEUQMDBE-HTONXFGNSA-N 0 3 304.434 3.472 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](CO)CC(F)F)cc1 ZINC000760041637 621912138 /nfs/dbraw/zinc/91/21/38/621912138.db2.gz ZHKRGGKBIDEWHR-WCQYABFASA-N 0 3 319.779 3.485 20 30 DGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000760346591 621933997 /nfs/dbraw/zinc/93/39/97/621933997.db2.gz SMKFIKAMVNAKIB-ZXFNITATSA-N 0 3 315.417 3.130 20 30 DGEDHN C#CCCCCNCc1ncc(Br)cc1Cl ZINC000865491702 621935584 /nfs/dbraw/zinc/93/55/84/621935584.db2.gz PKZBCWLOCHGBCL-UHFFFAOYSA-N 0 3 301.615 3.391 20 30 DGEDHN C=CCN1CCC(Nc2c(Br)cccc2C#N)CC1 ZINC000865522659 621942060 /nfs/dbraw/zinc/94/20/60/621942060.db2.gz VRLFMHYZHUNWEN-UHFFFAOYSA-N 0 3 320.234 3.383 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccc(Br)o1)C2 ZINC000865847678 622006817 /nfs/dbraw/zinc/00/68/17/622006817.db2.gz HQFYXQZZIOZTJG-ZDUSSCGKSA-N 0 3 317.186 3.171 20 30 DGEDHN C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1cccc(C#N)c1[O-] ZINC000866218331 622068389 /nfs/dbraw/zinc/06/83/89/622068389.db2.gz NEQHABAFCXLSBG-CABCVRRESA-N 0 3 301.434 3.179 20 30 DGEDHN CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259541 622078122 /nfs/dbraw/zinc/07/81/22/622078122.db2.gz CIURZOLSWIOAIW-CABCVRRESA-N 0 3 301.434 3.035 20 30 DGEDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(OC)c(C#N)c1 ZINC000866307544 622090309 /nfs/dbraw/zinc/09/03/09/622090309.db2.gz DCOHRIKWDDEWGE-SFHVURJKSA-N 0 3 308.381 3.353 20 30 DGEDHN COC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000866596342 622144034 /nfs/dbraw/zinc/14/40/34/622144034.db2.gz DTNSQVNCCYJQPM-DFBGVHRSSA-N 0 3 323.234 3.418 20 30 DGEDHN C[C@@H]1c2ccc(F)cc2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000763412407 622144354 /nfs/dbraw/zinc/14/43/54/622144354.db2.gz XUEBYAADUUUYJL-YJYMSZOUSA-N 0 3 310.372 3.350 20 30 DGEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cn2ccccc2n1 ZINC000866617579 622148046 /nfs/dbraw/zinc/14/80/46/622148046.db2.gz LSFPFGDTRIESNB-GUYCJALGSA-N 0 3 302.381 3.024 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccsc1 ZINC000121671563 622171495 /nfs/dbraw/zinc/17/14/95/622171495.db2.gz DPMYVDZLJMPIMY-RISCZKNCSA-N 0 3 304.415 3.009 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000767043599 622371074 /nfs/dbraw/zinc/37/10/74/622371074.db2.gz TUUPCOHYLRYPRZ-MRXNPFEDSA-N 0 3 315.461 3.369 20 30 DGEDHN CN(CCOC(=O)c1sccc1CC#N)Cc1ccccc1 ZINC000870044302 622428605 /nfs/dbraw/zinc/42/86/05/622428605.db2.gz VMTGONBNSVWSSN-UHFFFAOYSA-N 0 3 314.410 3.103 20 30 DGEDHN C#CCOc1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000768199066 622445043 /nfs/dbraw/zinc/44/50/43/622445043.db2.gz XEDIJDMLZFMSEQ-UHFFFAOYSA-N 0 3 309.365 3.059 20 30 DGEDHN C#CCN(Cc1ccc2c(c1)nnn2C)[C@H]1CCc2ccccc21 ZINC000768536770 622462919 /nfs/dbraw/zinc/46/29/19/622462919.db2.gz XJCOWEJYXVRIFW-IBGZPJMESA-N 0 3 316.408 3.091 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000769311983 622516499 /nfs/dbraw/zinc/51/64/99/622516499.db2.gz OHYKEJZWOVGVAI-RDJZCZTQSA-N 0 3 310.401 3.011 20 30 DGEDHN Cc1cc(CNC/C=C\CNC(=O)OC(C)(C)C)ccc1C#N ZINC000789867138 625573666 /nfs/dbraw/zinc/57/36/66/625573666.db2.gz YWMVXHDGBHIAEA-WAYWQWQTSA-N 0 3 315.417 3.037 20 30 DGEDHN C=CCOc1ccccc1CN1CCC(N(C)CC(F)F)CC1 ZINC000769510006 622536112 /nfs/dbraw/zinc/53/61/12/622536112.db2.gz MUFBQGGYQOBCGH-UHFFFAOYSA-N 0 3 324.415 3.413 20 30 DGEDHN C=C(CN(C)C)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000871462920 622622265 /nfs/dbraw/zinc/62/22/65/622622265.db2.gz NKRDMDVSIOFODB-UHFFFAOYSA-N 0 3 320.389 3.057 20 30 DGEDHN C=CCOc1cccc(CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000124011848 622873678 /nfs/dbraw/zinc/87/36/78/622873678.db2.gz VJDREKGFOYAWFU-QGZVFWFLSA-N 0 3 319.351 3.353 20 30 DGEDHN C=CCOc1cccc(CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000124011630 622873909 /nfs/dbraw/zinc/87/39/09/622873909.db2.gz VJDREKGFOYAWFU-KRWDZBQOSA-N 0 3 319.351 3.353 20 30 DGEDHN COc1ccc(C[C@H](C)C=Nn2cnnc2)cc1C(C)(C)C ZINC000872324743 622891201 /nfs/dbraw/zinc/89/12/01/622891201.db2.gz ZEHRTJNDDUQPHT-ZDUSSCGKSA-N 0 3 300.406 3.297 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccnc(Cl)c1 ZINC000772959475 622957211 /nfs/dbraw/zinc/95/72/11/622957211.db2.gz PRCQKVZXFRXEHK-LBPRGKRZSA-N 0 3 301.777 3.488 20 30 DGEDHN C#CC[C@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1ccccc1 ZINC000773118452 622986879 /nfs/dbraw/zinc/98/68/79/622986879.db2.gz ZRNIMONSYKUBCI-KXBFYZLASA-N 0 3 317.396 3.078 20 30 DGEDHN Cc1cc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc1C#N ZINC000774884986 623205083 /nfs/dbraw/zinc/20/50/83/623205083.db2.gz IBBJLMGJFMOBSP-AWEZNQCLSA-N 0 3 317.433 3.212 20 30 DGEDHN C#CC[C@H](NC[C@H](O)COc1ccccc1C)c1ccccc1 ZINC000775399800 623268666 /nfs/dbraw/zinc/26/86/66/623268666.db2.gz UOQBZJCAWPMYEG-OALUTQOASA-N 0 3 309.409 3.089 20 30 DGEDHN CC(C)(C)C[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000775453439 623276678 /nfs/dbraw/zinc/27/66/78/623276678.db2.gz DVXGMSIHRCCHHK-OAHLLOKOSA-N 0 3 321.852 3.437 20 30 DGEDHN C#CCNC(=O)CN[C@H](CCC=C)c1ccc(C(F)(F)F)cc1 ZINC000775552179 623288994 /nfs/dbraw/zinc/28/89/94/623288994.db2.gz GGLSXSNBDYLURJ-OAHLLOKOSA-N 0 3 324.346 3.052 20 30 DGEDHN C#C[C@H](N[C@H](C)c1ccc(-n2ccnc2C)cc1)[C@H]1CCCO1 ZINC000775573067 623291991 /nfs/dbraw/zinc/29/19/91/623291991.db2.gz FUOBEAKROBDSJT-MDASCCDHSA-N 0 3 309.413 3.012 20 30 DGEDHN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000775981785 623359922 /nfs/dbraw/zinc/35/99/22/623359922.db2.gz MPKWPXHAOPOAIS-RDTXWAMCSA-N 0 3 321.465 3.353 20 30 DGEDHN C#C[C@H]1CC[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000874863255 623378384 /nfs/dbraw/zinc/37/83/84/623378384.db2.gz MXRGEWKWIHJOCR-SHTZXODSSA-N 0 3 324.424 3.416 20 30 DGEDHN c1ccc(C(CC2CCC2)=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000776188295 623392816 /nfs/dbraw/zinc/39/28/16/623392816.db2.gz YQTFWAWURXMCQJ-IRXDYDNUSA-N 0 3 310.445 3.441 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000875247012 623431084 /nfs/dbraw/zinc/43/10/84/623431084.db2.gz GVOPLLZAVLPQAD-CVEARBPZSA-N 0 3 319.493 3.105 20 30 DGEDHN C#CC[C@@H](NCCC(=O)OCc1ccccc1)c1ccccc1 ZINC000776605903 623445981 /nfs/dbraw/zinc/44/59/81/623445981.db2.gz RISFVHDCCZXXCB-LJQANCHMSA-N 0 3 307.393 3.474 20 30 DGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C#N)c(F)c1 ZINC000776743382 623458310 /nfs/dbraw/zinc/45/83/10/623458310.db2.gz NHHQGJCGWCPKQT-ZDUSSCGKSA-N 0 3 309.344 3.451 20 30 DGEDHN C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC000777577072 623544618 /nfs/dbraw/zinc/54/46/18/623544618.db2.gz ZFSHYHYEIKNAJT-CYBMUJFWSA-N 0 3 303.369 3.194 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CCCCO1 ZINC000778177345 623621014 /nfs/dbraw/zinc/62/10/14/623621014.db2.gz AAQKGXPOBJJSES-AWEZNQCLSA-N 0 3 307.821 3.401 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000876584902 623651225 /nfs/dbraw/zinc/65/12/25/623651225.db2.gz SCMBSLYFPUMHPQ-HNNXBMFYSA-N 0 3 308.809 3.416 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1csc2ccccc12 ZINC000876605969 623657386 /nfs/dbraw/zinc/65/73/86/623657386.db2.gz ZFQCFZLAFMSCLA-CYBMUJFWSA-N 0 3 308.834 3.030 20 30 DGEDHN COc1ccc(NC(=O)[C@H]2CCCN2C[C@H](C)CCC#N)cc1 ZINC000876615843 623659963 /nfs/dbraw/zinc/65/99/63/623659963.db2.gz MOQWZDGKWKTHQH-RHSMWYFYSA-N 0 3 315.417 3.038 20 30 DGEDHN COc1ccc(NC(=O)[C@@H]2CCCN2C[C@H](C)CCC#N)cc1 ZINC000876615842 623660214 /nfs/dbraw/zinc/66/02/14/623660214.db2.gz MOQWZDGKWKTHQH-PBHICJAKSA-N 0 3 315.417 3.038 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000876626090 623663261 /nfs/dbraw/zinc/66/32/61/623663261.db2.gz ODZLGUSNAVNMTF-UKRRQHHQSA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000876638026 623666600 /nfs/dbraw/zinc/66/66/00/623666600.db2.gz ZXSHQHKDRRCINU-HZPDHXFCSA-N 0 3 306.837 3.080 20 30 DGEDHN CC(=NNCCOC(C)C)c1ccc(N2CCCCC2)cc1 ZINC000778547021 623666815 /nfs/dbraw/zinc/66/68/15/623666815.db2.gz BXCXLGBWNJAOHL-UHFFFAOYSA-N 0 3 303.450 3.416 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1cc(F)ccc1F ZINC000876677637 623679505 /nfs/dbraw/zinc/67/95/05/623679505.db2.gz SVDXSGFJNZIOMA-CHWSQXEVSA-N 0 3 302.752 3.002 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000876708060 623686944 /nfs/dbraw/zinc/68/69/44/623686944.db2.gz GOSSAFHPCXMKHZ-HNNXBMFYSA-N 0 3 309.841 3.330 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000876710057 623687421 /nfs/dbraw/zinc/68/74/21/623687421.db2.gz CQIXADSXJGFWAI-AWEZNQCLSA-N 0 3 307.825 3.004 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(F)cc1F ZINC000778995751 623718265 /nfs/dbraw/zinc/71/82/65/623718265.db2.gz DGHXEOOZZDGUIJ-KRWDZBQOSA-N 0 3 307.340 3.322 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000779050438 623724597 /nfs/dbraw/zinc/72/45/97/623724597.db2.gz PNYBBMPOSSVYIG-KRWDZBQOSA-N 0 3 307.459 3.027 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000876888537 623737481 /nfs/dbraw/zinc/73/74/81/623737481.db2.gz DFNHOUCTNPLTGG-SJORKVTESA-N 0 3 320.864 3.470 20 30 DGEDHN COCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000779206656 623742048 /nfs/dbraw/zinc/74/20/48/623742048.db2.gz QTKJLNWQOZIUMJ-SNVBAGLBSA-N 0 3 304.346 3.038 20 30 DGEDHN Cc1csc(CCCCNCc2cc(C#N)cnc2Cl)n1 ZINC000877002963 623763395 /nfs/dbraw/zinc/76/33/95/623763395.db2.gz HPZSABFGYYSIGO-UHFFFAOYSA-N 0 3 320.849 3.484 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000877042627 623774241 /nfs/dbraw/zinc/77/42/41/623774241.db2.gz SNSQOLZEYHGKOT-LSDHHAIUSA-N 0 3 324.827 3.390 20 30 DGEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2cc(C#N)cnc2Cl)C1 ZINC000877149749 623808287 /nfs/dbraw/zinc/80/82/87/623808287.db2.gz RYGGWHKIKCVDAB-YVEFUNNKSA-N 0 3 321.852 3.274 20 30 DGEDHN C#CCCCCCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000779836903 623818791 /nfs/dbraw/zinc/81/87/91/623818791.db2.gz KAYDFFQKVHVHPG-UHFFFAOYSA-N 0 3 302.418 3.279 20 30 DGEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000779934817 623836057 /nfs/dbraw/zinc/83/60/57/623836057.db2.gz FUWPWQRRAYOQOK-UHFFFAOYSA-N 0 3 318.436 3.300 20 30 DGEDHN C[C@@H](CCC#N)CN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000877676868 623987788 /nfs/dbraw/zinc/98/77/88/623987788.db2.gz BCKDAKRVTPXREG-SOUVJXGZSA-N 0 3 307.438 3.010 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000877700497 623996725 /nfs/dbraw/zinc/99/67/25/623996725.db2.gz AZVOUWCESWHGRR-GJZGRUSLSA-N 0 3 305.809 3.044 20 30 DGEDHN C=CCc1cc(CN2CCC(C(C)(C)O)CC2)cc(OC)c1O ZINC000877754000 624019491 /nfs/dbraw/zinc/01/94/91/624019491.db2.gz QCRBERJALLLRGW-UHFFFAOYSA-N 0 3 319.445 3.112 20 30 DGEDHN N#Cc1ccc2ncc(CN[C@@H]3CC=CC[C@H]3C(F)(F)F)n2c1 ZINC000877760891 624025032 /nfs/dbraw/zinc/02/50/32/624025032.db2.gz NGLYPZKBAQJHLX-ZIAGYGMSSA-N 0 3 320.318 3.193 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1c(C)cccc1Cl ZINC000790767102 625694736 /nfs/dbraw/zinc/69/47/36/625694736.db2.gz HVRJLCSHMAGRKK-AWEZNQCLSA-N 0 3 320.820 3.206 20 30 DGEDHN COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000781422443 624069171 /nfs/dbraw/zinc/06/91/71/624069171.db2.gz XZFIHYAKQZTOSB-YVEFUNNKSA-N 0 3 314.360 3.090 20 30 DGEDHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000781422941 624070124 /nfs/dbraw/zinc/07/01/24/624070124.db2.gz ROUZJOMEWCDQMK-JSGCOSHPSA-N 0 3 304.365 3.034 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCCOC1 ZINC000781448756 624072175 /nfs/dbraw/zinc/07/21/75/624072175.db2.gz FYVXFANERLZXNZ-ZBEGNZNMSA-N 0 3 300.383 3.289 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000877917256 624091478 /nfs/dbraw/zinc/09/14/78/624091478.db2.gz RNNTYVSOZFTNSC-VQTJNVASSA-N 0 3 311.425 3.159 20 30 DGEDHN C=CC[C@@H](C)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000878136956 624183992 /nfs/dbraw/zinc/18/39/92/624183992.db2.gz LPVWOZLQSQHFLP-HUUCEWRRSA-N 0 3 323.506 3.323 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N(C)CC(F)F)CC1 ZINC000782185593 624216814 /nfs/dbraw/zinc/21/68/14/624216814.db2.gz HKQWTKFMZZFVFL-CYBMUJFWSA-N 0 3 307.388 3.281 20 30 DGEDHN CC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)COC1 ZINC000782583157 624264872 /nfs/dbraw/zinc/26/48/72/624264872.db2.gz ODAGXTMHIUKILT-VIFPVBQESA-N 0 3 306.774 3.162 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@]12CCN(CC1(CC#N)CC1)C2 ZINC000878715215 624347300 /nfs/dbraw/zinc/34/73/00/624347300.db2.gz ILHIFSFMILWYQI-SFHVURJKSA-N 0 3 319.449 3.156 20 30 DGEDHN C=CCN1CCC(NC(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC000878750567 624352946 /nfs/dbraw/zinc/35/29/46/624352946.db2.gz JAQVYSJUXPSWBT-UHFFFAOYSA-N 0 3 306.372 3.122 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(CC1(CC#N)CC1)C2 ZINC000879020410 624410290 /nfs/dbraw/zinc/41/02/90/624410290.db2.gz LGRYLSXGAJAIIS-KBXCAEBGSA-N 0 3 319.449 3.059 20 30 DGEDHN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000879307749 624492291 /nfs/dbraw/zinc/49/22/91/624492291.db2.gz CLAYVJKQZJNBNT-HZPDHXFCSA-N 0 3 321.465 3.258 20 30 DGEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1csc2ccccc21 ZINC000784346661 624507218 /nfs/dbraw/zinc/50/72/18/624507218.db2.gz JEODETYVNCYNDL-LBPRGKRZSA-N 0 3 313.426 3.114 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@@H]3C2)c(OC(F)F)c1 ZINC000879560919 624589232 /nfs/dbraw/zinc/58/92/32/624589232.db2.gz WWMUFJOWTDNGCV-KBPBESRZSA-N 0 3 324.396 3.345 20 30 DGEDHN CC#CCOC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784923367 624597931 /nfs/dbraw/zinc/59/79/31/624597931.db2.gz VUJSJDQAFQINHM-UHFFFAOYSA-N 0 3 307.393 3.499 20 30 DGEDHN COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648663 624621137 /nfs/dbraw/zinc/62/11/37/624621137.db2.gz YFOIRSRINJXYKZ-CYBMUJFWSA-N 0 3 312.369 3.002 20 30 DGEDHN COC[C@H](N[C@H](C)CCC#N)c1cccc(Br)c1 ZINC000879663716 624631717 /nfs/dbraw/zinc/63/17/17/624631717.db2.gz QZTRFGBUYMUIAR-RISCZKNCSA-N 0 3 311.223 3.418 20 30 DGEDHN N#Cc1cnccc1CN[C@@H](Cc1cccnc1)C1CCCC1 ZINC000879675720 624636844 /nfs/dbraw/zinc/63/68/44/624636844.db2.gz APXDXYCLDIXPOI-IBGZPJMESA-N 0 3 306.413 3.239 20 30 DGEDHN Cc1cncc([C@H]2CCCN2CCOc2ccc(C#N)cc2)c1 ZINC000879748840 624663474 /nfs/dbraw/zinc/66/34/74/624663474.db2.gz QFHGSZDJDBCROO-LJQANCHMSA-N 0 3 307.397 3.478 20 30 DGEDHN CCOc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000785617100 624702503 /nfs/dbraw/zinc/70/25/03/624702503.db2.gz JUORQTLFIPOBHM-SFHVURJKSA-N 0 3 308.381 3.440 20 30 DGEDHN Cc1csc([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000880008573 624751377 /nfs/dbraw/zinc/75/13/77/624751377.db2.gz UDEPUUXBCSGQOU-ZDUSSCGKSA-N 0 3 301.390 3.452 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533802 624913390 /nfs/dbraw/zinc/91/33/90/624913390.db2.gz GURBOKBDZSTBHW-CQSZACIVSA-N 0 3 304.777 3.021 20 30 DGEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786563933 624922683 /nfs/dbraw/zinc/92/26/83/624922683.db2.gz KUUKMLHQOWRUPM-ZDUSSCGKSA-N 0 3 322.355 3.260 20 30 DGEDHN C=CCCC[C@H](NCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000880387518 624948011 /nfs/dbraw/zinc/94/80/11/624948011.db2.gz BOPDVCAXBMXOAN-KRWDZBQOSA-N 0 3 309.475 3.497 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccsc1C ZINC000786928331 624965316 /nfs/dbraw/zinc/96/53/16/624965316.db2.gz HXFLLKLEAIGXTA-CQSZACIVSA-N 0 3 306.431 3.004 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CSC(C)C)c1ccccc1 ZINC000787044101 624973704 /nfs/dbraw/zinc/97/37/04/624973704.db2.gz FEOBUWYREFZCNZ-HUUCEWRRSA-N 0 3 318.442 3.104 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC1(C)C ZINC000787065313 624975107 /nfs/dbraw/zinc/97/51/07/624975107.db2.gz GGEHRQIAVUYACT-HZPDHXFCSA-N 0 3 312.413 3.180 20 30 DGEDHN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787072294 624976055 /nfs/dbraw/zinc/97/60/55/624976055.db2.gz HRFOJKDPOAFYSC-PVAVHDDUSA-N 0 3 312.413 3.180 20 30 DGEDHN OC[C@H](NN=C1CCCC[C@H]1N1CCCCC1)c1ccccc1 ZINC000788459333 625182353 /nfs/dbraw/zinc/18/23/53/625182353.db2.gz FTPWCOZNHUVXJA-RBUKOAKNSA-N 0 3 315.461 3.094 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC000881124382 625252308 /nfs/dbraw/zinc/25/23/08/625252308.db2.gz LYIAHGPREWMHQI-UHFFFAOYSA-N 0 3 324.428 3.208 20 30 DGEDHN C=CCN(CCOC)Cc1sc2nc(C)nc(C)c2c1C ZINC000792192182 625922966 /nfs/dbraw/zinc/92/29/66/625922966.db2.gz HKRYTAAYFFUJTO-UHFFFAOYSA-N 0 3 305.447 3.251 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796621001 626067085 /nfs/dbraw/zinc/06/70/85/626067085.db2.gz YEGFTICHVYDSHM-GHMZBOCLSA-N 0 3 303.312 3.185 20 30 DGEDHN C#CCN(CCC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000796639488 626068896 /nfs/dbraw/zinc/06/88/96/626068896.db2.gz NDTRNCIOGVECFK-UHFFFAOYSA-N 0 3 306.409 3.459 20 30 DGEDHN C#C[C@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)C(C)C ZINC000798512054 626223004 /nfs/dbraw/zinc/22/30/04/626223004.db2.gz WINANNZNMZTAIO-JKSUJKDBSA-N 0 3 321.490 3.088 20 30 DGEDHN CCCCCCCS(=O)(=O)NC1CCN(CCCC)CC1 ZINC000799764972 626327714 /nfs/dbraw/zinc/32/77/14/626327714.db2.gz MUIXTDFODPPYGG-UHFFFAOYSA-N 0 3 318.527 3.141 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000800384453 626355187 /nfs/dbraw/zinc/35/51/87/626355187.db2.gz CGCMAOJSYKRGQH-IUODEOHRSA-N 0 3 302.374 3.169 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000800408818 626357228 /nfs/dbraw/zinc/35/72/28/626357228.db2.gz FLWJXORPSIVUAN-DGCLKSJQSA-N 0 3 322.355 3.116 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000800409995 626357680 /nfs/dbraw/zinc/35/76/80/626357680.db2.gz RGZXWXCDGHITQU-DOMZBBRYSA-N 0 3 320.820 3.491 20 30 DGEDHN C[C@@H](C#N)OCCN(Cc1cccc(Br)c1)C1CC1 ZINC000801911064 626424629 /nfs/dbraw/zinc/42/46/29/626424629.db2.gz SWOLRHXCEWHILI-LBPRGKRZSA-N 0 3 323.234 3.342 20 30 DGEDHN C[C@@H](C#N)OCCN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000801938283 626427020 /nfs/dbraw/zinc/42/70/20/626427020.db2.gz DAANMWIQMROISP-PXNSSMCTSA-N 0 3 324.424 3.463 20 30 DGEDHN Cc1nc(Cl)ccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000802032235 626429625 /nfs/dbraw/zinc/42/96/25/626429625.db2.gz CXEFRIKSORMMCA-LLVKDONJSA-N 0 3 310.744 3.410 20 30 DGEDHN C=CCC[C@H](Cc1ccccc1)N[C@@H](C)c1nnnn1C1CC1 ZINC000883219409 626613074 /nfs/dbraw/zinc/61/30/74/626613074.db2.gz SGGQAKIWQFKFMG-GOEBONIOSA-N 0 3 311.433 3.236 20 30 DGEDHN C=CCC[C@H](NCc1nccn1CC)[C@H]1Cc2ccccc2O1 ZINC000883225577 626615178 /nfs/dbraw/zinc/61/51/78/626615178.db2.gz JUYFIJWWEOTMSN-FUHWJXTLSA-N 0 3 311.429 3.331 20 30 DGEDHN C#CC1(NCc2ccc(OC)c(OCCCC#N)c2)CCCC1 ZINC000883363224 626661695 /nfs/dbraw/zinc/66/16/95/626661695.db2.gz YAPQMUPDMIWQEC-UHFFFAOYSA-N 0 3 312.413 3.413 20 30 DGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000883389248 626670324 /nfs/dbraw/zinc/67/03/24/626670324.db2.gz MVWYTHUFQLOAJS-NWDGAFQWSA-N 0 3 313.825 3.335 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000883400882 626673807 /nfs/dbraw/zinc/67/38/07/626673807.db2.gz XOJOCQJPJLPCQA-CYBMUJFWSA-N 0 3 304.415 3.243 20 30 DGEDHN C=CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000807620811 626763511 /nfs/dbraw/zinc/76/35/11/626763511.db2.gz QFWMPYJWSFSLNW-AEFFLSMTSA-N 0 3 315.461 3.255 20 30 DGEDHN CC[C@H](C)c1cccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884429703 626879482 /nfs/dbraw/zinc/87/94/82/626879482.db2.gz RLRIRONUOHKZGE-QGILYTQXSA-N 0 3 311.429 3.278 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000809606867 626925192 /nfs/dbraw/zinc/92/51/92/626925192.db2.gz IDEUCGLLZVWMPT-UHFFFAOYSA-N 0 3 316.408 3.155 20 30 DGEDHN C#Cc1ccc(CNc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC000809644257 626931889 /nfs/dbraw/zinc/93/18/89/626931889.db2.gz NRQKMIIFQKKIRH-UHFFFAOYSA-N 0 3 319.452 3.422 20 30 DGEDHN COC(=O)c1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000809730658 626942546 /nfs/dbraw/zinc/94/25/46/626942546.db2.gz XTYNCVJRRQRUGI-CQSZACIVSA-N 0 3 324.380 3.054 20 30 DGEDHN COC(=O)c1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000809730657 626942615 /nfs/dbraw/zinc/94/26/15/626942615.db2.gz XTYNCVJRRQRUGI-AWEZNQCLSA-N 0 3 324.380 3.054 20 30 DGEDHN C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068147 626973989 /nfs/dbraw/zinc/97/39/89/626973989.db2.gz IZVVRGJZMNONCU-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068147 626973990 /nfs/dbraw/zinc/97/39/90/626973990.db2.gz IZVVRGJZMNONCU-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068145 626974117 /nfs/dbraw/zinc/97/41/17/626974117.db2.gz IZVVRGJZMNONCU-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068145 626974119 /nfs/dbraw/zinc/97/41/19/626974119.db2.gz IZVVRGJZMNONCU-OLZOCXBDSA-N 0 3 306.372 3.122 20 30 DGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1(CCF)CC1)c1ccccc1 ZINC000810709815 627039649 /nfs/dbraw/zinc/03/96/49/627039649.db2.gz KHXRCXXDQRSZRJ-LSDHHAIUSA-N 0 3 316.376 3.103 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810966964 627072686 /nfs/dbraw/zinc/07/26/86/627072686.db2.gz CBUVNGGVPTYBAH-GOSISDBHSA-N 0 3 322.424 3.049 20 30 DGEDHN CN(Cc1ccc(Cl)c(F)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886098927 627102083 /nfs/dbraw/zinc/10/20/83/627102083.db2.gz SLAGVZPLZNWFDD-ZDUSSCGKSA-N 0 3 310.800 3.356 20 30 DGEDHN CSc1ccccc1CN(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886181597 627118272 /nfs/dbraw/zinc/11/82/72/627118272.db2.gz PCPGJDZLJKVDBL-HNNXBMFYSA-N 0 3 304.459 3.285 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886359477 627142347 /nfs/dbraw/zinc/14/23/47/627142347.db2.gz CWBJKRPQUAUXPI-UONOGXRCSA-N 0 3 311.385 3.151 20 30 DGEDHN Cc1ccccc1[C@@H](CO)N(C)Cc1ccc(OCC#N)cc1 ZINC000886434015 627148620 /nfs/dbraw/zinc/14/86/20/627148620.db2.gz ZQDRCIXWARRMOL-LJQANCHMSA-N 0 3 310.397 3.063 20 30 DGEDHN C#CCN(C(=O)c1ccc(-c2ccccc2)o1)C1CCN(C)CC1 ZINC000886578850 627166680 /nfs/dbraw/zinc/16/66/80/627166680.db2.gz NXBVFTIYDUZOSA-UHFFFAOYSA-N 0 3 322.408 3.116 20 30 DGEDHN C#CCN(C(=O)c1cccc2ccsc21)C1CCN(C)CC1 ZINC000886578909 627167076 /nfs/dbraw/zinc/16/70/76/627167076.db2.gz QQVHHSXDRQWAJF-UHFFFAOYSA-N 0 3 312.438 3.071 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886664748 627183550 /nfs/dbraw/zinc/18/35/50/627183550.db2.gz WTDKXDRHSVEVTG-UHFFFAOYSA-N 0 3 324.428 3.286 20 30 DGEDHN C=CCC[C@@H](Cc1ccccc1)[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886759723 627200121 /nfs/dbraw/zinc/20/01/21/627200121.db2.gz NQRPPCDDAGIZGL-HNNXBMFYSA-N 0 3 316.474 3.335 20 30 DGEDHN N#CC1(CCN2CC[C@@](CO)(C(F)(F)F)C2)CCCCC1 ZINC000886813714 627207511 /nfs/dbraw/zinc/20/75/11/627207511.db2.gz TYSDIXPTWZKFSL-CQSZACIVSA-N 0 3 304.356 3.097 20 30 DGEDHN C#CCC1(NCc2cc(-c3ccc(F)cc3)no2)CCOCC1 ZINC000887125936 627227298 /nfs/dbraw/zinc/22/72/98/627227298.db2.gz QBIZKCDBUVSGDN-UHFFFAOYSA-N 0 3 314.360 3.143 20 30 DGEDHN C#Cc1ccccc1CC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000811180276 627254091 /nfs/dbraw/zinc/25/40/91/627254091.db2.gz JFUACOZEPATOMR-UHFFFAOYSA-N 0 3 324.468 3.005 20 30 DGEDHN C/C(C=Nn1c(C)nnc1C)=C\c1ccccc1OC(F)F ZINC000811634430 627297473 /nfs/dbraw/zinc/29/74/73/627297473.db2.gz OMUGWLGKYDRAAU-VPBCOVHZSA-N 0 3 306.316 3.434 20 30 DGEDHN C#Cc1cccc(N(CC)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000812974099 627439511 /nfs/dbraw/zinc/43/95/11/627439511.db2.gz SLTQZFRMXHUPKW-IBGZPJMESA-N 0 3 316.420 3.233 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCC#N ZINC000813060435 627444362 /nfs/dbraw/zinc/44/43/62/627444362.db2.gz ZIMNSXINFDROGL-OAHLLOKOSA-N 0 3 311.385 3.153 20 30 DGEDHN CC(C)CO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213649 627468366 /nfs/dbraw/zinc/46/83/66/627468366.db2.gz KGYVURVYVGAWEC-PWSUYJOCSA-N 0 3 314.307 3.338 20 30 DGEDHN CCCCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218406 627468840 /nfs/dbraw/zinc/46/88/40/627468840.db2.gz VVHUYYCMKYJGSE-JQWIXIFHSA-N 0 3 314.307 3.482 20 30 DGEDHN CC[C@@H](C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218874 627468978 /nfs/dbraw/zinc/46/89/78/627468978.db2.gz UHPQHGYQTOBHDS-KOLCDFICSA-N 0 3 300.280 3.092 20 30 DGEDHN C[C@@H](CCC#N)CN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000813337165 627480039 /nfs/dbraw/zinc/48/00/39/627480039.db2.gz MBAFYHMMXRKDOI-SOUVJXGZSA-N 0 3 309.454 3.256 20 30 DGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657253 627582142 /nfs/dbraw/zinc/58/21/42/627582142.db2.gz NOZKVSPAKBIIDE-GJZGRUSLSA-N 0 3 300.402 3.486 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000815020217 627616605 /nfs/dbraw/zinc/61/66/05/627616605.db2.gz UMTXJJZRMJMEFO-VQIMIIECSA-N 0 3 320.440 3.045 20 30 DGEDHN COc1ccc(CN(CCOCCC#N)C(C)(C)C)c(OC)c1 ZINC000815062503 627621342 /nfs/dbraw/zinc/62/13/42/627621342.db2.gz LBFDUVDAUSDHQR-UHFFFAOYSA-N 0 3 320.433 3.235 20 30 DGEDHN N#Cc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1F ZINC000817407676 627894414 /nfs/dbraw/zinc/89/44/14/627894414.db2.gz XVOWYXQZRDIYAQ-UHFFFAOYSA-N 0 3 323.371 3.114 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCCCC3)O2)cc1F ZINC000817409055 627894699 /nfs/dbraw/zinc/89/46/99/627894699.db2.gz XLIPINNJNNQMQG-INIZCTEOSA-N 0 3 318.392 3.253 20 30 DGEDHN C#CCN(C)CCCNC(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000818592820 628040220 /nfs/dbraw/zinc/04/02/20/628040220.db2.gz AMDUMZWYEPHKEI-IRXDYDNUSA-N 0 3 312.457 3.047 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000818595931 628040696 /nfs/dbraw/zinc/04/06/96/628040696.db2.gz UKKGVXQZNLRCAC-UXHICEINSA-N 0 3 320.436 3.015 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc2c(cccc2Cl)s1 ZINC000818595580 628041021 /nfs/dbraw/zinc/04/10/21/628041021.db2.gz BNYJOSBNRCJXTR-UHFFFAOYSA-N 0 3 320.845 3.240 20 30 DGEDHN Cc1cccc2c1OCC[C@H]2NC[C@H](O)c1ccc(C#N)cc1 ZINC000818990228 628074500 /nfs/dbraw/zinc/07/45/00/628074500.db2.gz UUSXGKBRJNTPIO-MSOLQXFVSA-N 0 3 308.381 3.014 20 30 DGEDHN CCc1cccc2c1OCC[C@H]2NC[C@H](O)c1ccc(C#N)cc1 ZINC000818998424 628075651 /nfs/dbraw/zinc/07/56/51/628075651.db2.gz RMFGTUATMZQNMU-MOPGFXCFSA-N 0 3 322.408 3.267 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN2CCc3sccc3C2)cc1 ZINC000929199747 628224579 /nfs/dbraw/zinc/22/45/79/628224579.db2.gz ZSTXYBAKQFSUBP-UHFFFAOYSA-N 0 3 310.422 3.116 20 30 DGEDHN C#CCCOc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000822469247 628454830 /nfs/dbraw/zinc/45/48/30/628454830.db2.gz GTKIEYXCOYAYCB-UHFFFAOYSA-N 0 3 322.408 3.403 20 30 DGEDHN C=C(C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000823883225 628606876 /nfs/dbraw/zinc/60/68/76/628606876.db2.gz LMKNFASKRYZJJJ-CYBMUJFWSA-N 0 3 323.375 3.370 20 30 DGEDHN C[C@@H]1C[C@@H](CNCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000824153478 628631985 /nfs/dbraw/zinc/63/19/85/628631985.db2.gz MPDVQVPQXODPGO-KGLIPLIRSA-N 0 3 309.454 3.161 20 30 DGEDHN C=CCC1(CNCc2ncc(C3OCCO3)s2)CCCC1 ZINC000825078708 628724912 /nfs/dbraw/zinc/72/49/12/628724912.db2.gz AIWIAWLZMVBOIZ-UHFFFAOYSA-N 0 3 308.447 3.415 20 30 DGEDHN C#C[C@@H](NCc1ccc(OC(C)C)c(OC)c1)C1CCOCC1 ZINC000827574518 628972578 /nfs/dbraw/zinc/97/25/78/628972578.db2.gz ANFLKHKQRQXIGU-QGZVFWFLSA-N 0 3 317.429 3.000 20 30 DGEDHN C[C@@H]1C[C@H](CN2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000827650045 628980068 /nfs/dbraw/zinc/98/00/68/628980068.db2.gz MPTGRDLUHTWVOR-RKVPGOIHSA-N 0 3 321.465 3.258 20 30 DGEDHN C#CC1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000830316333 629252197 /nfs/dbraw/zinc/25/21/97/629252197.db2.gz NWRYLPJYOUZOHM-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN CC[C@@H](C)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000832187302 629448565 /nfs/dbraw/zinc/44/85/65/629448565.db2.gz KAGLUFOOSVYXFD-CQSZACIVSA-N 0 3 321.852 3.158 20 30 DGEDHN C#CCOc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000834888326 629798508 /nfs/dbraw/zinc/79/85/08/629798508.db2.gz GGSLNBPYTHFIDJ-IBGZPJMESA-N 0 3 310.372 3.474 20 30 DGEDHN CC(C)N1CC(N=Nc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000834984357 629818072 /nfs/dbraw/zinc/81/80/72/629818072.db2.gz UWPVCTWUOZUNAX-JTQLQIEISA-N 0 3 300.328 3.228 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CC(F)(F)C1 ZINC000835038546 629831492 /nfs/dbraw/zinc/83/14/92/629831492.db2.gz XCSHIBDYBULLLB-LLVKDONJSA-N 0 3 303.312 3.185 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)C)c1 ZINC000835061064 629840357 /nfs/dbraw/zinc/84/03/57/629840357.db2.gz ILZLCBTZRHNAKA-HNNXBMFYSA-N 0 3 302.374 3.169 20 30 DGEDHN C#C[C@@H](Cc1ccccc1)OC(=O)c1cccc(CN(C)C)c1 ZINC000835242107 629887725 /nfs/dbraw/zinc/88/77/25/629887725.db2.gz XCRWDAHQWVEIKA-IBGZPJMESA-N 0 3 307.393 3.150 20 30 DGEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@H]2CCC)CC1 ZINC000837108338 630214970 /nfs/dbraw/zinc/21/49/70/630214970.db2.gz RDZWNEKXIFHUPG-SJLPKXTDSA-N 0 3 304.478 3.054 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000837375141 630250182 /nfs/dbraw/zinc/25/01/82/630250182.db2.gz AJDARVCGRVAXTJ-OAHLLOKOSA-N 0 3 318.486 3.126 20 30 DGEDHN CCN(C(=O)C#CC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000837531115 630271356 /nfs/dbraw/zinc/27/13/56/630271356.db2.gz LNGQYYHMQJEERE-SFHVURJKSA-N 0 3 312.457 3.159 20 30 DGEDHN c1ccc([C@H]2CC(=NN[C@@H]3CCCOC3)CCN2C2CC2)cc1 ZINC000841636886 630450570 /nfs/dbraw/zinc/45/05/70/630450570.db2.gz CWXAFTVODYRDEG-IEBWSBKVSA-N 0 3 313.445 3.111 20 30 DGEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284340 630510833 /nfs/dbraw/zinc/51/08/33/630510833.db2.gz IMARELGYNJPCJL-GDBMZVCRSA-N 0 3 301.390 3.008 20 30 DGEDHN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000842289616 630511388 /nfs/dbraw/zinc/51/13/88/630511388.db2.gz FLEPSEMZNUBYDK-SMDDNHRTSA-N 0 3 322.792 3.048 20 30 DGEDHN CCCCCCO[C@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842285610 630511400 /nfs/dbraw/zinc/51/14/00/630511400.db2.gz RHKCEWIIHXLQGU-UKRRQHHQSA-N 0 3 303.406 3.255 20 30 DGEDHN N#CC(C(=O)Cc1cccc(C2CC2)c1)C(=O)NC1CCCCC1 ZINC000842290432 630511998 /nfs/dbraw/zinc/51/19/98/630511998.db2.gz YGEPCLYUQNRMSX-SFHVURJKSA-N 0 3 324.424 3.264 20 30 DGEDHN CC(C)[C@H](C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842298130 630512966 /nfs/dbraw/zinc/51/29/66/630512966.db2.gz DALGLERGUXNRLI-KRWDZBQOSA-N 0 3 300.402 3.377 20 30 DGEDHN CC(C)(C#N)COC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842333448 630519533 /nfs/dbraw/zinc/51/95/33/630519533.db2.gz YVMPGKSVTBENDT-UHFFFAOYSA-N 0 3 300.402 3.379 20 30 DGEDHN C#CC1CCN(Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC000843426745 630657192 /nfs/dbraw/zinc/65/71/92/630657192.db2.gz IWYIIMQNTYNJBI-UHFFFAOYSA-N 0 3 322.408 3.217 20 30 DGEDHN C#CC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000843427286 630657240 /nfs/dbraw/zinc/65/72/40/630657240.db2.gz YCJFRCZWJMDVGO-UHFFFAOYSA-N 0 3 324.218 3.009 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000843717084 630692868 /nfs/dbraw/zinc/69/28/68/630692868.db2.gz SXWWJSNWINYSFY-LJQANCHMSA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875485 631200421 /nfs/dbraw/zinc/20/04/21/631200421.db2.gz LAPYRGHKFXTFIZ-LRDDRELGSA-N 0 3 307.321 3.269 20 30 DGEDHN C[C@H](C[C@H](C)NCC1(C#N)CCCC1)NC(=O)OC(C)(C)C ZINC000846011023 631205760 /nfs/dbraw/zinc/20/57/60/631205760.db2.gz QOAPNUPCKLIMJC-UONOGXRCSA-N 0 3 309.454 3.352 20 30 DGEDHN CC(C)O[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000846013880 631205977 /nfs/dbraw/zinc/20/59/77/631205977.db2.gz FKWPDUZNEWIRFU-QAPCUYQASA-N 0 3 302.418 3.367 20 30 DGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCCCC#N ZINC000846794298 631307744 /nfs/dbraw/zinc/30/77/44/631307744.db2.gz YSHZBISULBLAIH-SJLPKXTDSA-N 0 3 311.429 3.213 20 30 DGEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000847022701 631383917 /nfs/dbraw/zinc/38/39/17/631383917.db2.gz JFSGRRIHJOVABR-ZWKOTPCHSA-N 0 3 312.457 3.157 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000847022924 631384078 /nfs/dbraw/zinc/38/40/78/631384078.db2.gz AAXLOKVDGPLQHS-AWEZNQCLSA-N 0 3 302.443 3.306 20 30 DGEDHN CCCCCCCC[C@H](C)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306091 631644889 /nfs/dbraw/zinc/64/48/89/631644889.db2.gz MEYADZAQCHEKRY-OKZBNKHCSA-N 0 3 324.509 3.041 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000848399736 631654899 /nfs/dbraw/zinc/65/48/99/631654899.db2.gz TWHWDCKZMGRSCI-ROUUACIJSA-N 0 3 313.445 3.194 20 30 DGEDHN N#Cc1cc(Cl)nc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848406480 631655708 /nfs/dbraw/zinc/65/57/08/631655708.db2.gz FAGHMBIGWIHGAY-CYBMUJFWSA-N 0 3 303.797 3.023 20 30 DGEDHN COC(=O)c1cc(N=NC2CCCN3CCCC[C@@H]23)ccc1F ZINC000848411965 631656291 /nfs/dbraw/zinc/65/62/91/631656291.db2.gz GOGUQRVHNBIKOL-INIZCTEOSA-N 0 3 319.380 3.029 20 30 DGEDHN C=CCCCCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000848431417 631661108 /nfs/dbraw/zinc/66/11/08/631661108.db2.gz JRLXWNLPUGQDHO-AWEZNQCLSA-N 0 3 309.841 3.296 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2COC3(CCC3)C2)c([O-])c1 ZINC000849172464 631852751 /nfs/dbraw/zinc/85/27/51/631852751.db2.gz SOIVLKSVNAEXPA-CCRNYGKSSA-N 0 3 302.418 3.369 20 30 DGEDHN CC(C)c1nn(C)c(Cl)c1CNCCc1ccc(C#N)cc1 ZINC000850345940 632119908 /nfs/dbraw/zinc/11/99/08/632119908.db2.gz OPNQBRMOHNKYPA-UHFFFAOYSA-N 0 3 316.836 3.401 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCc1cnccc1C ZINC000850356114 632123946 /nfs/dbraw/zinc/12/39/46/632123946.db2.gz RLHXBZGWRXKSBZ-UHFFFAOYSA-N 0 3 314.816 3.388 20 30 DGEDHN C=CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000850501371 632173757 /nfs/dbraw/zinc/17/37/57/632173757.db2.gz BIDIFXPFPGLQMU-SECBINFHSA-N 0 3 300.196 3.390 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000850752831 632215157 /nfs/dbraw/zinc/21/51/57/632215157.db2.gz UCSOGNNXZANIMF-BBWFWOEESA-N 0 3 312.413 3.114 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCc2cccnc2)c1 ZINC000850758116 632216911 /nfs/dbraw/zinc/21/69/11/632216911.db2.gz YPOKLPLFXNCUJD-QGZVFWFLSA-N 0 3 321.380 3.060 20 30 DGEDHN CO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCC1 ZINC000851037881 632293304 /nfs/dbraw/zinc/29/33/04/632293304.db2.gz HFKGBZQFHMOGRR-SMDDNHRTSA-N 0 3 312.291 3.092 20 30 DGEDHN CCOC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCC1 ZINC000851037901 632293482 /nfs/dbraw/zinc/29/34/82/632293482.db2.gz HSGPHZQDFGQSKI-LLVKDONJSA-N 0 3 312.291 3.236 20 30 DGEDHN CCCCCCN(C)CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000109944705 632389000 /nfs/dbraw/zinc/38/90/00/632389000.db2.gz OCMJWRDIQPOMKR-UHFFFAOYSA-N 0 3 301.434 3.029 20 30 DGEDHN C#CCNC(=O)CN[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000008001408 632474117 /nfs/dbraw/zinc/47/41/17/632474117.db2.gz HMGHSTDNGVQOOJ-GOSISDBHSA-N 0 3 300.446 3.020 20 30 DGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H](CC)CC(F)F)c1 ZINC000851730745 632476981 /nfs/dbraw/zinc/47/69/81/632476981.db2.gz RMTWLTYBTKLDNG-CQSZACIVSA-N 0 3 308.372 3.220 20 30 DGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000852097347 632552966 /nfs/dbraw/zinc/55/29/66/632552966.db2.gz OUTQTPAFFDGKSE-QRWLVFNGSA-N 0 3 308.425 3.409 20 30 DGEDHN C#C[C@](C)(CC)NCc1nc2ccc(Br)cc2[nH]1 ZINC000852100261 632554213 /nfs/dbraw/zinc/55/42/13/632554213.db2.gz GPGNVNZJBSDNRX-CQSZACIVSA-N 0 3 306.207 3.217 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)[C@H](C)C1 ZINC000943480816 660189022 /nfs/dbraw/zinc/18/90/22/660189022.db2.gz GOYMYOGOXDZQGA-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(C)c2Cl)[C@H](C)C1 ZINC000943716956 660196803 /nfs/dbraw/zinc/19/68/03/660196803.db2.gz GXIBMDDZNIQCIL-UKRRQHHQSA-N 0 3 306.837 3.275 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)[C@H](C)C1 ZINC000943817112 660201290 /nfs/dbraw/zinc/20/12/90/660201290.db2.gz QZMPDUGKDSLNQC-PBHICJAKSA-N 0 3 316.445 3.175 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](C)C1 ZINC000943816437 660201297 /nfs/dbraw/zinc/20/12/97/660201297.db2.gz PGANBLCNQBZHCM-BBRMVZONSA-N 0 3 304.434 3.338 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000944305938 660219919 /nfs/dbraw/zinc/21/99/19/660219919.db2.gz PJMZIXBOQBEDLM-CRAIPNDOSA-N 0 3 312.457 3.058 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC000944699542 660229586 /nfs/dbraw/zinc/22/95/86/660229586.db2.gz HKMANMMEKVJFLD-UZLBHIALSA-N 0 3 324.468 3.029 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000944632378 660227498 /nfs/dbraw/zinc/22/74/98/660227498.db2.gz BCOCRSYUZPWDFP-DZGCQCFKSA-N 0 3 318.486 3.253 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2Cl)[C@@H](C)C1 ZINC000944445222 660223698 /nfs/dbraw/zinc/22/36/98/660223698.db2.gz NRXPYFUZUGDLGO-BLLLJJGKSA-N 0 3 324.827 3.414 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](C)C1 ZINC000944790281 660232555 /nfs/dbraw/zinc/23/25/55/660232555.db2.gz PEBGRGUMMJOONG-KBPBESRZSA-N 0 3 306.475 3.245 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)OC)cc1 ZINC000195492423 660236165 /nfs/dbraw/zinc/23/61/65/660236165.db2.gz WZCYEHMPSKHBKW-WOSRLPQWSA-N 0 3 316.401 3.272 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000945336639 660249929 /nfs/dbraw/zinc/24/99/29/660249929.db2.gz UKYLXBUIJWBIKZ-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000945336630 660250093 /nfs/dbraw/zinc/25/00/93/660250093.db2.gz UKYLXBUIJWBIKZ-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC000996958420 660303410 /nfs/dbraw/zinc/30/34/10/660303410.db2.gz XMLHZAJXPAPXIR-KRWDZBQOSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000997087651 660308635 /nfs/dbraw/zinc/30/86/35/660308635.db2.gz ZCJCHKRQTJVCGM-AEFFLSMTSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001032404053 660312466 /nfs/dbraw/zinc/31/24/66/660312466.db2.gz RAYIHSNUQJXDGG-ULQDDVLXSA-N 0 3 302.462 3.208 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000997170710 660313452 /nfs/dbraw/zinc/31/34/52/660313452.db2.gz NOBQZSJEOOWOJM-IEBWSBKVSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)ccc2C2CC2)CC1 ZINC000997238571 660316082 /nfs/dbraw/zinc/31/60/82/660316082.db2.gz OURVWXSFEOVHBZ-MRXNPFEDSA-N 0 3 324.468 3.336 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)cccc2Cl)CC1 ZINC000997290810 660317975 /nfs/dbraw/zinc/31/79/75/660317975.db2.gz ZCCXBVDBKIRMIO-CQSZACIVSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000997327407 660318634 /nfs/dbraw/zinc/31/86/34/660318634.db2.gz MKZFHYGNNFCCGK-OAHLLOKOSA-N 0 3 323.440 3.022 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccsc2Cl)CC1 ZINC000997330451 660318702 /nfs/dbraw/zinc/31/87/02/660318702.db2.gz IFPWKVVNWUMAJV-GFCCVEGCSA-N 0 3 324.877 3.255 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC=CCCC1 ZINC001032471899 660326877 /nfs/dbraw/zinc/32/68/77/660326877.db2.gz BWXOHUGXCFBHDL-BZSNNMDCSA-N 0 3 302.462 3.374 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)C[C@@H]1C ZINC000947925139 660328964 /nfs/dbraw/zinc/32/89/64/660328964.db2.gz KJTNAUWYOGISEN-HNAYVOBHSA-N 0 3 310.441 3.170 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2CCCCCCC2)CC1 ZINC000997666988 660337973 /nfs/dbraw/zinc/33/79/73/660337973.db2.gz WVPKNBKYIMXTRD-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccccc2C2(C)CC2)CC1 ZINC000997747482 660341942 /nfs/dbraw/zinc/34/19/42/660341942.db2.gz IGDMIANWKRKXMX-INIZCTEOSA-N 0 3 324.468 3.202 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032557384 660346474 /nfs/dbraw/zinc/34/64/74/660346474.db2.gz IBSVYHTUWCJDIB-IRXDYDNUSA-N 0 3 316.489 3.454 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000997879145 660348435 /nfs/dbraw/zinc/34/84/35/660348435.db2.gz KOHZOJZVHKJUKK-ZLPCBKJTSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000997876930 660348485 /nfs/dbraw/zinc/34/84/85/660348485.db2.gz WUAVLEMEYHVBCF-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C(C)C)s2)CC1 ZINC000997879679 660348507 /nfs/dbraw/zinc/34/85/07/660348507.db2.gz NWXJVUMRHPHIJU-AWEZNQCLSA-N 0 3 318.486 3.335 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2coc3ccccc23)CC1 ZINC000997888639 660348701 /nfs/dbraw/zinc/34/87/01/660348701.db2.gz VKXIJJDOAPZJHQ-HNNXBMFYSA-N 0 3 324.424 3.286 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C(C)C ZINC001032579479 660355198 /nfs/dbraw/zinc/35/51/98/660355198.db2.gz AYAUDIAGUGEWOP-GJZGRUSLSA-N 0 3 301.434 3.003 20 30 DGEDHN C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccccc2[O-])CC1 ZINC000997930988 660356493 /nfs/dbraw/zinc/35/64/93/660356493.db2.gz VUPFOZFMWIRACD-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccccc2[O-])CC1 ZINC000997930988 660356495 /nfs/dbraw/zinc/35/64/95/660356495.db2.gz VUPFOZFMWIRACD-INIZCTEOSA-N 0 3 316.445 3.285 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)C2CCCCCC2)CC1 ZINC000997938067 660357446 /nfs/dbraw/zinc/35/74/46/660357446.db2.gz DZFPTZRYVZVVEM-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000998037040 660365325 /nfs/dbraw/zinc/36/53/25/660365325.db2.gz AHMICUJJTANMME-MOPGFXCFSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cccs3)CC[C@@H]2C1 ZINC000946460962 660367084 /nfs/dbraw/zinc/36/70/84/660367084.db2.gz XMWOINOEGNGJDM-OKILXGFUSA-N 0 3 324.877 3.285 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000998065345 660367139 /nfs/dbraw/zinc/36/71/39/660367139.db2.gz GAUNUKJDFSYTGW-ZSYWTGECSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(C)cc2C)CC1 ZINC000998199388 660375628 /nfs/dbraw/zinc/37/56/28/660375628.db2.gz WARVHDQTRHWJBW-GOSISDBHSA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000998102305 660369813 /nfs/dbraw/zinc/36/98/13/660369813.db2.gz LTQYVFJDDOPXRG-IRXDYDNUSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2coc(C(F)F)c2)CC1 ZINC000998108013 660370282 /nfs/dbraw/zinc/37/02/82/660370282.db2.gz YRXCVPCHGVDBFR-CQSZACIVSA-N 0 3 324.371 3.167 20 30 DGEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2ocnc2C2CC2)CC1 ZINC000998114781 660370701 /nfs/dbraw/zinc/37/07/01/660370701.db2.gz GGKXWAVTWLCBQL-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000998244464 660377999 /nfs/dbraw/zinc/37/79/99/660377999.db2.gz LGDISAAOARRTIR-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)C(=C)C)CC[C@H]1C(F)(F)F ZINC000998278398 660380420 /nfs/dbraw/zinc/38/04/20/660380420.db2.gz TXGLTPDZZXPGSZ-OLZOCXBDSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC000998278194 660380694 /nfs/dbraw/zinc/38/06/94/660380694.db2.gz RHQITRINDMSVDN-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccccc2OC(C)C)C[C@@H]1C ZINC000947947924 660396958 /nfs/dbraw/zinc/39/69/58/660396958.db2.gz KTKPWLFXPIQWBO-JKSUJKDBSA-N 0 3 316.445 3.243 20 30 DGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCOC)cc1 ZINC000131590908 660398172 /nfs/dbraw/zinc/39/81/72/660398172.db2.gz IKBPGXPLDHBINW-CJNGLKHVSA-N 0 3 316.401 3.274 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2c(C)cccc2C)C1 ZINC000998843470 660400262 /nfs/dbraw/zinc/40/02/62/660400262.db2.gz HQZMUVIFJSPYTG-UHFFFAOYSA-N 0 3 320.864 3.177 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC000999068595 660404799 /nfs/dbraw/zinc/40/47/99/660404799.db2.gz WSOJJBATWCIWEK-UHFFFAOYSA-N 0 3 317.820 3.113 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1F ZINC001032688674 660412641 /nfs/dbraw/zinc/41/26/41/660412641.db2.gz KTTDNZIYUXTAKF-PMPSAXMXSA-N 0 3 316.420 3.181 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccn(C(C)C)c2C)C1 ZINC000999289414 660415111 /nfs/dbraw/zinc/41/51/11/660415111.db2.gz GUXFPUVLMJHFEV-UHFFFAOYSA-N 0 3 323.868 3.323 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2csc(Cl)c2)C1 ZINC000999507370 660420354 /nfs/dbraw/zinc/42/03/54/660420354.db2.gz YGVCTSIZIHNNML-UHFFFAOYSA-N 0 3 319.257 3.347 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2oc(CC)cc2C)C1 ZINC000999697221 660425103 /nfs/dbraw/zinc/42/51/03/660425103.db2.gz KVLRPLPFNGZSKV-UHFFFAOYSA-N 0 3 310.825 3.096 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC000999736984 660426113 /nfs/dbraw/zinc/42/61/13/660426113.db2.gz QWJKYTNPUIRFOM-UHFFFAOYSA-N 0 3 313.228 3.285 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC000999708402 660426533 /nfs/dbraw/zinc/42/65/33/660426533.db2.gz DMNADNQQEBNBHB-OOHWJJMZSA-N 0 3 320.864 3.430 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccccc12 ZINC001032815627 660454810 /nfs/dbraw/zinc/45/48/10/660454810.db2.gz JCEFURDRYHVHFA-GJZGRUSLSA-N 0 3 310.397 3.298 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2coc3cc(C)c(C)cc23)CC1 ZINC001001684310 660455771 /nfs/dbraw/zinc/45/57/71/660455771.db2.gz KWHQLJCPUSGYGP-UHFFFAOYSA-N 0 3 324.424 3.125 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2ccccc2C2(C)CC2)CC1 ZINC001001826219 660458751 /nfs/dbraw/zinc/45/87/51/660458751.db2.gz SOOGFBOLBZJSMD-UHFFFAOYSA-N 0 3 324.468 3.203 20 30 DGEDHN C#CCN1CCC(CNC(=O)C2CCC(C(C)(C)C)CC2)CC1 ZINC001002107925 660463829 /nfs/dbraw/zinc/46/38/29/660463829.db2.gz WHEZCZWDSDIQLJ-UHFFFAOYSA-N 0 3 318.505 3.300 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2cccc3ccccc32)CC1 ZINC001002102021 660464188 /nfs/dbraw/zinc/46/41/88/660464188.db2.gz HFOFYZUQBGDIGW-UHFFFAOYSA-N 0 3 320.436 3.305 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)CC2CC2)CC1 ZINC001004320411 660542160 /nfs/dbraw/zinc/54/21/60/660542160.db2.gz SQKSFYAXOUSLEJ-MRXNPFEDSA-N 0 3 310.869 3.242 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001014680599 660553360 /nfs/dbraw/zinc/55/33/60/660553360.db2.gz CZNHOPRQPULLSB-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2C(C)(C)C)C1 ZINC001033178156 660572653 /nfs/dbraw/zinc/57/26/53/660572653.db2.gz YHWXDBMKNBLPMH-INIZCTEOSA-N 0 3 312.457 3.154 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001033263382 660601684 /nfs/dbraw/zinc/60/16/84/660601684.db2.gz ZNFFXICDVDLLQJ-INIZCTEOSA-N 0 3 322.399 3.276 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3ncccc3s2)C1 ZINC001033322089 660608486 /nfs/dbraw/zinc/60/84/86/660608486.db2.gz QBYJFQLDYAGSED-CYBMUJFWSA-N 0 3 315.442 3.019 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001033327604 660609322 /nfs/dbraw/zinc/60/93/22/660609322.db2.gz JDVAOIBOBPYVIE-OAHLLOKOSA-N 0 3 318.848 3.126 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001033327603 660609385 /nfs/dbraw/zinc/60/93/85/660609385.db2.gz JDVAOIBOBPYVIE-HNNXBMFYSA-N 0 3 318.848 3.126 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001033394187 660616843 /nfs/dbraw/zinc/61/68/43/660616843.db2.gz QFDPIHNHKZYITL-SFHVURJKSA-N 0 3 312.457 3.384 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446479 660622550 /nfs/dbraw/zinc/62/25/50/660622550.db2.gz JNWZYPAQEYUKFQ-OAHLLOKOSA-N 0 3 310.800 3.202 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001033460075 660625134 /nfs/dbraw/zinc/62/51/34/660625134.db2.gz RYOCAOOUNSNPTO-OAHLLOKOSA-N 0 3 316.445 3.055 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033483019 660626389 /nfs/dbraw/zinc/62/63/89/660626389.db2.gz DFESLGYIMTWYJR-GFCCVEGCSA-N 0 3 312.866 3.053 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3sccc3c2)C1 ZINC001033548412 660631326 /nfs/dbraw/zinc/63/13/26/660631326.db2.gz QPSVMJUGWBRJGW-INIZCTEOSA-N 0 3 312.438 3.071 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001033565547 660631719 /nfs/dbraw/zinc/63/17/19/660631719.db2.gz MRGQPNWPILAGGR-STQMWFEESA-N 0 3 324.877 3.061 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001033579528 660633456 /nfs/dbraw/zinc/63/34/56/660633456.db2.gz PCQSHSHSBAOQDW-QGZVFWFLSA-N 0 3 323.440 3.404 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033582836 660633956 /nfs/dbraw/zinc/63/39/56/660633956.db2.gz LKYGCJLCODLMOS-GJZGRUSLSA-N 0 3 306.475 3.269 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033702812 660652236 /nfs/dbraw/zinc/65/22/36/660652236.db2.gz VICNUMXBOBOZNN-CTWPCTMYSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2sc(C3CC3)nc2C)CC1 ZINC001005375655 660665211 /nfs/dbraw/zinc/66/52/11/660665211.db2.gz NXOHUDYNNKATAT-UHFFFAOYSA-N 0 3 319.474 3.051 20 30 DGEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2scnc2CC)C1 ZINC001033851689 660670271 /nfs/dbraw/zinc/67/02/71/660670271.db2.gz MOJDZEHTXNDVQZ-AWEZNQCLSA-N 0 3 321.490 3.208 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001033877564 660672765 /nfs/dbraw/zinc/67/27/65/660672765.db2.gz CQHRRAXTCDCGHB-AZUAARDMSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033873555 660674034 /nfs/dbraw/zinc/67/40/34/660674034.db2.gz QGLBVDQVZKHHOE-QZTJIDSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033951644 660683270 /nfs/dbraw/zinc/68/32/70/660683270.db2.gz IEHINLGJRUFQCH-MRXNPFEDSA-N 0 3 315.461 3.395 20 30 DGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2sc(CC)nc2C)C1 ZINC001033986242 660689612 /nfs/dbraw/zinc/68/96/12/660689612.db2.gz MSBJTBVDVMNVRP-AWEZNQCLSA-N 0 3 321.490 3.126 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3ccncc32)C1 ZINC001034004151 660694903 /nfs/dbraw/zinc/69/49/03/660694903.db2.gz KABWBYMYJFSCNZ-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc3cnccc32)C1 ZINC001034042107 660700664 /nfs/dbraw/zinc/70/06/64/660700664.db2.gz LHWMLCKDKMHYKE-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccn2C(C)C)C1 ZINC001034042067 660700882 /nfs/dbraw/zinc/70/08/82/660700882.db2.gz NCXSTMWMFCOELD-MRXNPFEDSA-N 0 3 303.450 3.182 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034048513 660701978 /nfs/dbraw/zinc/70/19/78/660701978.db2.gz ICIWYPJHJXUTQE-HIEASXQVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034048515 660702030 /nfs/dbraw/zinc/70/20/30/660702030.db2.gz ICIWYPJHJXUTQE-ZGUYJTEBSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001034050542 660702594 /nfs/dbraw/zinc/70/25/94/660702594.db2.gz BYXPSIBWGOXCFC-MHJFOBGBSA-N 0 3 324.468 3.126 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(OCC)cc2)C1 ZINC001034032339 660697089 /nfs/dbraw/zinc/69/70/89/660697089.db2.gz PUQLTEWMMFODOO-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2Cl)C1 ZINC001034036177 660697425 /nfs/dbraw/zinc/69/74/25/660697425.db2.gz SGWUHIWNBIRRNL-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034247908 660727418 /nfs/dbraw/zinc/72/74/18/660727418.db2.gz UJJZBOIODNZHIK-AWEZNQCLSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034239552 660728311 /nfs/dbraw/zinc/72/83/11/660728311.db2.gz XYTZWNDVQDOESP-OAHLLOKOSA-N 0 3 301.434 3.053 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001034237146 660728331 /nfs/dbraw/zinc/72/83/31/660728331.db2.gz RFFHJPDLTYPWEW-QGZVFWFLSA-N 0 3 300.446 3.003 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001034287879 660732800 /nfs/dbraw/zinc/73/28/00/660732800.db2.gz CHOGLVQWYNDDIA-INIZCTEOSA-N 0 3 315.461 3.365 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001034299060 660733794 /nfs/dbraw/zinc/73/37/94/660733794.db2.gz ACTBPBJBIJGXCD-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001034382161 660746051 /nfs/dbraw/zinc/74/60/51/660746051.db2.gz PLMLWSHRTCBKIR-GOSISDBHSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001034429592 660748442 /nfs/dbraw/zinc/74/84/42/660748442.db2.gz WWPPPSKFCXPLGU-HOTGVXAUSA-N 0 3 304.434 3.238 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001034428059 660749148 /nfs/dbraw/zinc/74/91/48/660749148.db2.gz JGPSVYLYSUIIQJ-IJXRJRJASA-N 0 3 324.468 3.119 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001034410710 660749497 /nfs/dbraw/zinc/74/94/97/660749497.db2.gz HYJICUXDVMSZHR-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001034447700 660752695 /nfs/dbraw/zinc/75/26/95/660752695.db2.gz JETXQMHDOJBOBH-HZPDHXFCSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001034415933 660751184 /nfs/dbraw/zinc/75/11/84/660751184.db2.gz KJZGNAAYTNGIFG-ZDUSSCGKSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001034435970 660753632 /nfs/dbraw/zinc/75/36/32/660753632.db2.gz NMSBHBHQPIVVDI-NSHGMRRFSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001034458241 660756447 /nfs/dbraw/zinc/75/64/47/660756447.db2.gz MGIAMWJVYQQINW-INIZCTEOSA-N 0 3 315.461 3.374 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001034457468 660756757 /nfs/dbraw/zinc/75/67/57/660756757.db2.gz DLWDVROWYFASJE-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001034473213 660758967 /nfs/dbraw/zinc/75/89/67/660758967.db2.gz GNSCCFUOLJCBIK-IBGZPJMESA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001034517962 660766177 /nfs/dbraw/zinc/76/61/77/660766177.db2.gz FISLWRCMHYIRAH-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001034523910 660766841 /nfs/dbraw/zinc/76/68/41/660766841.db2.gz QJKGFVAGUVXEIL-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001034533496 660767663 /nfs/dbraw/zinc/76/76/63/660767663.db2.gz UZNULNSUCSDOGP-CYBMUJFWSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001034533498 660767833 /nfs/dbraw/zinc/76/78/33/660767833.db2.gz UZNULNSUCSDOGP-ZDUSSCGKSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001034540196 660770440 /nfs/dbraw/zinc/77/04/40/660770440.db2.gz GLPLGICMLLGMBO-ZFWWWQNUSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001034543469 660771280 /nfs/dbraw/zinc/77/12/80/660771280.db2.gz IHKDRXHUOKULMQ-QGZVFWFLSA-N 0 3 324.424 3.349 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001034554143 660773776 /nfs/dbraw/zinc/77/37/76/660773776.db2.gz ONBBVOVFUHKIFS-KRWDZBQOSA-N 0 3 312.457 3.183 20 30 DGEDHN C=CCCN1CCCC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001034563015 660774545 /nfs/dbraw/zinc/77/45/45/660774545.db2.gz HMSYCWHSGPZHOQ-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)C2CC=CC2)CC1 ZINC001034612152 660777436 /nfs/dbraw/zinc/77/74/36/660777436.db2.gz JSKFWROWNOLMMB-WGSAOQKQSA-N 0 3 323.440 3.041 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(C(C)C)n2)CC1 ZINC001005664349 660787036 /nfs/dbraw/zinc/78/70/36/660787036.db2.gz MPAKEHKKKIEEQM-UHFFFAOYSA-N 0 3 315.461 3.318 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)ccc2OC)CC1 ZINC001005679800 660787900 /nfs/dbraw/zinc/78/79/00/660787900.db2.gz JAIBXUAEJJOVQS-UHFFFAOYSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc(C(F)F)c2)CC1 ZINC001005702163 660791055 /nfs/dbraw/zinc/79/10/55/660791055.db2.gz ALMLFRPYUUJCLV-UHFFFAOYSA-N 0 3 322.399 3.276 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c[nH]c3ccccc23)CC1 ZINC001005677288 660788790 /nfs/dbraw/zinc/78/87/90/660788790.db2.gz TXOKRXGAEDPFRU-UHFFFAOYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001035036050 660811182 /nfs/dbraw/zinc/81/11/82/660811182.db2.gz UWZPBULLDCXBLJ-RHSMWYFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)c1cccs1)CC2 ZINC001035794740 660852787 /nfs/dbraw/zinc/85/27/87/660852787.db2.gz LUEOGNPRIHJLDQ-OAHLLOKOSA-N 0 3 318.486 3.352 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C3CC3)CCC1)CC2 ZINC001035761437 660849479 /nfs/dbraw/zinc/84/94/79/660849479.db2.gz YQPVBBSXRZZCHO-UHFFFAOYSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CC=CCC1)CC2 ZINC001035766744 660849666 /nfs/dbraw/zinc/84/96/66/660849666.db2.gz FMIFMQRQIURTBI-KRWDZBQOSA-N 0 3 302.462 3.233 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccc(C)o1)CC2 ZINC001035812405 660855610 /nfs/dbraw/zinc/85/56/10/660855610.db2.gz MPAMPYVZSMOIAR-INIZCTEOSA-N 0 3 316.445 3.192 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](C)c1ccccc1)CC2 ZINC001035847320 660855887 /nfs/dbraw/zinc/85/58/87/660855887.db2.gz JUTADKZAMIFOAL-GOSISDBHSA-N 0 3 324.468 3.128 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)c1ccccc1C)CC2 ZINC001035856523 660859855 /nfs/dbraw/zinc/85/98/55/660859855.db2.gz QNYGGDNKZUARIR-GOSISDBHSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)CC2 ZINC001035859345 660860857 /nfs/dbraw/zinc/86/08/57/660860857.db2.gz AERZOUCKBVRKFV-ROUUACIJSA-N 0 3 316.489 3.151 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccc(C#N)s1 ZINC001036497537 660912307 /nfs/dbraw/zinc/91/23/07/660912307.db2.gz XMTZLTSGHLZETC-CZUORRHYSA-N 0 3 319.474 3.137 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707918554 660915672 /nfs/dbraw/zinc/91/56/72/660915672.db2.gz GDJKLINJUDDMLC-YJNKXOJESA-N 0 3 307.438 3.056 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1C ZINC000947968196 660947716 /nfs/dbraw/zinc/94/77/16/660947716.db2.gz VBJCABSSSAMIBT-OXQOHEQNSA-N 0 3 320.436 3.446 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(F)cc2Cl)CC1 ZINC001005934858 660951154 /nfs/dbraw/zinc/95/11/54/660951154.db2.gz PTPWKFJVZMVCMO-UHFFFAOYSA-N 0 3 324.827 3.130 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000947966746 660942343 /nfs/dbraw/zinc/94/23/43/660942343.db2.gz HVLIFUDLGJQQCV-APWZRJJASA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3cccnc3c2)CC1 ZINC001006159635 660966354 /nfs/dbraw/zinc/96/63/54/660966354.db2.gz ADXVJLFLQKJYLN-UHFFFAOYSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC001006162217 660966663 /nfs/dbraw/zinc/96/66/63/660966663.db2.gz HMCPLBWWASOIAF-QGZVFWFLSA-N 0 3 312.457 3.215 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2sccc2COC)CC1 ZINC001006288026 660972759 /nfs/dbraw/zinc/97/27/59/660972759.db2.gz DISUYDXRLLLBIL-UHFFFAOYSA-N 0 3 322.474 3.007 20 30 DGEDHN C#CC[C@H](NCc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000793029569 661001324 /nfs/dbraw/zinc/00/13/24/661001324.db2.gz WUOHYHPXAFTLDU-INIZCTEOSA-N 0 3 322.433 3.454 20 30 DGEDHN COCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCC1 ZINC000793146569 661007598 /nfs/dbraw/zinc/00/75/98/661007598.db2.gz HUTIXVDRZKHTFK-NSHDSACASA-N 0 3 318.373 3.428 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC000969110746 655523108 /nfs/dbraw/zinc/52/31/08/655523108.db2.gz AMHADARUWZLPQA-OAHLLOKOSA-N 0 3 318.465 3.002 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC000969130507 655526598 /nfs/dbraw/zinc/52/65/98/655526598.db2.gz LMXFDLHGSKEKTI-ZDUSSCGKSA-N 0 3 324.371 3.215 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC000969139907 655527276 /nfs/dbraw/zinc/52/72/76/655527276.db2.gz UJHHVTNUKVSVRR-OAHLLOKOSA-N 0 3 321.490 3.310 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC000969136536 655527791 /nfs/dbraw/zinc/52/77/91/655527791.db2.gz OVLFVSSTUWPOOQ-LJQANCHMSA-N 0 3 312.457 3.247 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC000969161168 655529778 /nfs/dbraw/zinc/52/97/78/655529778.db2.gz SECOUCZLHYINDC-ABHNRTSZSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC000969164141 655530094 /nfs/dbraw/zinc/53/00/94/655530094.db2.gz KYCGIMSCZMEGPP-GOSISDBHSA-N 0 3 324.468 3.173 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC000969719359 655555683 /nfs/dbraw/zinc/55/56/83/655555683.db2.gz CFTVJLZXZHZPGZ-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cc4ccccc4o3)C2)C1 ZINC000969877663 655561866 /nfs/dbraw/zinc/56/18/66/655561866.db2.gz FWVXRDOOHWGKMS-MRXNPFEDSA-N 0 3 324.424 3.480 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001039069848 655568371 /nfs/dbraw/zinc/56/83/71/655568371.db2.gz JQIACYVQHLBNIZ-VNCLNFNDSA-N 0 3 304.478 3.360 20 30 DGEDHN C[C@H](C#N)OCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795576305 661160996 /nfs/dbraw/zinc/16/09/96/661160996.db2.gz RSEKHUQUDBZTMB-IUODEOHRSA-N 0 3 310.850 3.435 20 30 DGEDHN C#C[C@H](C)NCc1cc(Br)cc(Br)c1 ZINC000306927176 655574740 /nfs/dbraw/zinc/57/47/40/655574740.db2.gz SKKYOZBJALLSFN-QMMMGPOBSA-N 0 3 317.024 3.323 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001039120542 655582574 /nfs/dbraw/zinc/58/25/74/655582574.db2.gz BCFUGPZYZGVOBF-DQNFTHGOSA-N 0 3 310.869 3.266 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001039119987 655582585 /nfs/dbraw/zinc/58/25/85/655582585.db2.gz VJEQZZZUBLOOOV-XJKSGUPXSA-N 0 3 312.885 3.346 20 30 DGEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)C(C)C)C1 ZINC000970161896 655582840 /nfs/dbraw/zinc/58/28/40/655582840.db2.gz SZFGSAHXVZUQMH-MSOLQXFVSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC000970206160 655588865 /nfs/dbraw/zinc/58/88/65/655588865.db2.gz XVJLEUNSTWAAMN-LBPRGKRZSA-N 0 3 324.827 3.414 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000970252576 655590486 /nfs/dbraw/zinc/59/04/86/655590486.db2.gz YNQRDPFHYXDPMA-AWEZNQCLSA-N 0 3 311.429 3.103 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000970465984 655601315 /nfs/dbraw/zinc/60/13/15/655601315.db2.gz AAHBEPRVIYYSEV-HNNXBMFYSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(F)c2Cl)C1 ZINC000970488789 655602461 /nfs/dbraw/zinc/60/24/61/655602461.db2.gz UXEUPCFUNZSRCC-LLVKDONJSA-N 0 3 310.800 3.105 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000970544059 655605504 /nfs/dbraw/zinc/60/55/04/655605504.db2.gz FTAAABCQRJLFJW-ASFAAARLSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000970570646 655606906 /nfs/dbraw/zinc/60/69/06/655606906.db2.gz VXSMZBDTNZULSU-ZYSHUDEJSA-N 0 3 312.457 3.111 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC000970611146 655609163 /nfs/dbraw/zinc/60/91/63/655609163.db2.gz YDTOPIGLIBMSAY-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC001039205783 655613899 /nfs/dbraw/zinc/61/38/99/655613899.db2.gz ACGQCRQQPRBSQZ-MOPGFXCFSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC000970775840 655619075 /nfs/dbraw/zinc/61/90/75/655619075.db2.gz WLKOCWAAKPTISV-GFCCVEGCSA-N 0 3 308.372 3.250 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCC(C(F)F)CC2)C1 ZINC000970816343 655625344 /nfs/dbraw/zinc/62/53/44/655625344.db2.gz KXDHWVUHNKKFIN-HSBZDZAISA-N 0 3 314.420 3.071 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C=C2CCCCC2)C1 ZINC001021536753 655626030 /nfs/dbraw/zinc/62/60/30/655626030.db2.gz SZWLUHDNSDGMMO-MOPGFXCFSA-N 0 3 314.473 3.213 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CCCCCC2)C1 ZINC001021541118 655626455 /nfs/dbraw/zinc/62/64/55/655626455.db2.gz JQWFDLNBVVZSHK-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2=CCCCC2)C1 ZINC001021544155 655627047 /nfs/dbraw/zinc/62/70/47/655627047.db2.gz HUNUIAMKXOMMEU-RBUKOAKNSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC000970836018 655628117 /nfs/dbraw/zinc/62/81/17/655628117.db2.gz MRQNOLMXLADLMP-HJOIGYKYSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2csc(C)c2)C1 ZINC001039230803 655634334 /nfs/dbraw/zinc/63/43/34/655634334.db2.gz MQOIEFMGYUUNFU-DOTOQJQBSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2(C)CCCCC2)C1 ZINC001021629717 655645423 /nfs/dbraw/zinc/64/54/23/655645423.db2.gz INWULTCBPUMDBN-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000175945474 655647178 /nfs/dbraw/zinc/64/71/78/655647178.db2.gz NZLLFDIAADHUNC-DYVFJYSZSA-N 0 3 308.381 3.177 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2CC)C1 ZINC001021660860 655651199 /nfs/dbraw/zinc/65/11/99/655651199.db2.gz HKAXQWVKFCXDFM-AZUAARDMSA-N 0 3 324.468 3.199 20 30 DGEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000971071230 655657399 /nfs/dbraw/zinc/65/73/99/655657399.db2.gz ONJBGFZQYDQLRT-QGZVFWFLSA-N 0 3 313.445 3.027 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC001021718650 655663000 /nfs/dbraw/zinc/66/30/00/655663000.db2.gz HJLOBTZIENDOST-AZUAARDMSA-N 0 3 324.468 3.253 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2cscn2)c([O-])c1 ZINC000255230116 655666545 /nfs/dbraw/zinc/66/65/45/655666545.db2.gz KZLUWWHSDZFNDT-YVLHZVERSA-N 0 3 303.431 3.357 20 30 DGEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000050678945 655673767 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C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC000972078125 655762730 /nfs/dbraw/zinc/76/27/30/655762730.db2.gz DBWKHXFGGIJIPC-INIZCTEOSA-N 0 3 318.436 3.379 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000972167303 655774886 /nfs/dbraw/zinc/77/48/86/655774886.db2.gz FRDNHTAPCYGEGE-YNEHKIRRSA-N 0 3 324.877 3.224 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000972246587 655782421 /nfs/dbraw/zinc/78/24/21/655782421.db2.gz PRNQVQJBZWPOOD-IEBWSBKVSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC000972292792 655786142 /nfs/dbraw/zinc/78/61/42/655786142.db2.gz WTUIPIRBKGNURK-PBHICJAKSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC000972292860 655786311 /nfs/dbraw/zinc/78/63/11/655786311.db2.gz WTUIPIRBKGNURK-YOEHRIQHSA-N 0 3 304.409 3.038 20 30 DGEDHN CC(C)(C#N)c1ccc(C(=O)OCCN2CCCCC2)cc1 ZINC000796038206 661186852 /nfs/dbraw/zinc/18/68/52/661186852.db2.gz ATSXHJRVRSNCDJ-UHFFFAOYSA-N 0 3 300.402 3.130 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000972432993 655798022 /nfs/dbraw/zinc/79/80/22/655798022.db2.gz KMQVPGQTJHIURK-GOSISDBHSA-N 0 3 314.473 3.245 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC000972453446 655800723 /nfs/dbraw/zinc/80/07/23/655800723.db2.gz LTYBONSUNMEDHZ-GOEBONIOSA-N 0 3 320.864 3.237 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001023141355 655814809 /nfs/dbraw/zinc/81/48/09/655814809.db2.gz XHSBUQYKUVJDFG-TXEJJXNPSA-N 0 3 312.866 3.474 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC000972555443 655829378 /nfs/dbraw/zinc/82/93/78/655829378.db2.gz OGNVAOSRMSIRIF-CRAIPNDOSA-N 0 3 300.446 3.071 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC000972555446 655829564 /nfs/dbraw/zinc/82/95/64/655829564.db2.gz OGNVAOSRMSIRIF-YJBOKZPZSA-N 0 3 300.446 3.071 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2CCC)C1 ZINC001023478768 655836254 /nfs/dbraw/zinc/83/62/54/655836254.db2.gz AOOWQSSOCFZCJA-KRWDZBQOSA-N 0 3 312.457 3.104 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)c3ccccc23)C1 ZINC001023619815 655849772 /nfs/dbraw/zinc/84/97/72/655849772.db2.gz POGBNJCWZXNKPE-KRWDZBQOSA-N 0 3 320.436 3.223 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001023643459 655852189 /nfs/dbraw/zinc/85/21/89/655852189.db2.gz YUPUUPVEWHTYIQ-KRWDZBQOSA-N 0 3 322.452 3.111 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001023692749 655855371 /nfs/dbraw/zinc/85/53/71/655855371.db2.gz IUGYPGGEVZZPIG-MRXNPFEDSA-N 0 3 322.408 3.022 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001023700344 655855990 /nfs/dbraw/zinc/85/59/90/655855990.db2.gz MWQMPCLDAKIWJD-KRWDZBQOSA-N 0 3 324.468 3.419 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001023714567 655856335 /nfs/dbraw/zinc/85/63/35/655856335.db2.gz PJKOOWPYUQCGDZ-BZSNNMDCSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001023768342 655863977 /nfs/dbraw/zinc/86/39/77/655863977.db2.gz PZESDZMJWNKASM-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001023772003 655864312 /nfs/dbraw/zinc/86/43/12/655864312.db2.gz XKQZCYDPLVMDMF-PBPGXSGUSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(C3CC3)nc2C)C[C@H]1C ZINC000947301134 655866011 /nfs/dbraw/zinc/86/60/11/655866011.db2.gz OGSIJUPNRYPFQI-RISCZKNCSA-N 0 3 319.474 3.098 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024452982 655906316 /nfs/dbraw/zinc/90/63/16/655906316.db2.gz SXCOSHVNQFRQND-VSZNYVQBSA-N 0 3 302.462 3.136 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001024504038 655911249 /nfs/dbraw/zinc/91/12/49/655911249.db2.gz GFGJVSGQNUOHNK-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001024540294 655914812 /nfs/dbraw/zinc/91/48/12/655914812.db2.gz BKXYTKZPSYNBBP-OAHLLOKOSA-N 0 3 311.429 3.247 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001024572920 655918814 /nfs/dbraw/zinc/91/88/14/655918814.db2.gz CQWFEZMCBOOGMQ-SFHVURJKSA-N 0 3 324.468 3.480 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001024632100 655926707 /nfs/dbraw/zinc/92/67/07/655926707.db2.gz SRMPAONGTFQSPB-SFHVURJKSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001024669529 655929035 /nfs/dbraw/zinc/92/90/35/655929035.db2.gz HVCWBYYBDIESEU-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001024693135 655930837 /nfs/dbraw/zinc/93/08/37/655930837.db2.gz WXAJHLDOADIQSO-ZDUSSCGKSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1scnc1C(C)C ZINC001024698504 655931792 /nfs/dbraw/zinc/93/17/92/655931792.db2.gz JTAXTRBWKWTNPJ-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3scnc32)C[C@@H]1C ZINC000947307146 655933724 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ZINC001036810588 661206800 /nfs/dbraw/zinc/20/68/00/661206800.db2.gz FIVZLDZIVONIDW-POOPPAAASA-N 0 3 322.880 3.408 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001025069830 655963701 /nfs/dbraw/zinc/96/37/01/655963701.db2.gz QGEVVTLZVWTOCH-PBHICJAKSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1F ZINC001025191632 655975122 /nfs/dbraw/zinc/97/51/22/655975122.db2.gz LXQKGDOOYWGNAI-QZTJIDSGSA-N 0 3 316.420 3.471 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025194830 655975947 /nfs/dbraw/zinc/97/59/47/655975947.db2.gz GPPDKKRVRKWTKA-MOPGFXCFSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccsc1 ZINC001025199729 655976365 /nfs/dbraw/zinc/97/63/65/655976365.db2.gz YUKRDSDFOFHFDF-IAGOWNOFSA-N 0 3 316.470 3.231 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001025196292 655976971 /nfs/dbraw/zinc/97/69/71/655976971.db2.gz SKCCMISXYGSFLJ-WOJBJXKFSA-N 0 3 324.468 3.477 20 30 DGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccoc1CC ZINC001025228676 655981975 /nfs/dbraw/zinc/98/19/75/655981975.db2.gz BXVWLFJBEHJYSZ-DLBZAZTESA-N 0 3 316.445 3.487 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C(C)C ZINC001025236117 655983023 /nfs/dbraw/zinc/98/30/23/655983023.db2.gz RQJSXBVXMFGFJW-SJORKVTESA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C2CC2)CCC1 ZINC001025254008 655985302 /nfs/dbraw/zinc/98/53/02/655985302.db2.gz CVPPOSDSRXINRZ-ROUUACIJSA-N 0 3 314.473 3.045 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C(C)C)CC1 ZINC001025268819 655987134 /nfs/dbraw/zinc/98/71/34/655987134.db2.gz GMUALXYYBUSGFA-QZTJIDSGSA-N 0 3 316.489 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025292894 655989376 /nfs/dbraw/zinc/98/93/76/655989376.db2.gz MTPIMEVJLPNXRV-PMACEKPBSA-N 0 3 324.468 3.477 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1ccccc1C ZINC001025294883 655989675 /nfs/dbraw/zinc/98/96/75/655989675.db2.gz 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C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(F)=C2CCCC2)C1 ZINC001039197763 659036023 /nfs/dbraw/zinc/03/60/23/659036023.db2.gz RAJDLYFYYSIVQO-DLBZAZTESA-N 0 3 318.436 3.120 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ccsc2)C1 ZINC001039206055 659039532 /nfs/dbraw/zinc/03/95/32/659039532.db2.gz DQXJQHOKCWSJFD-DOTOQJQBSA-N 0 3 316.470 3.088 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccccc2CC)C1 ZINC001039224280 659047248 /nfs/dbraw/zinc/04/72/48/659047248.db2.gz FBMZZFHEYAGLPG-ICSRJNTNSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC(C)(C)C2)C1 ZINC001039226113 659047926 /nfs/dbraw/zinc/04/79/26/659047926.db2.gz UKYYYSHQWRHIEI-ROUUACIJSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)C3CCCCCCC3)CCC[C@H]12 ZINC000991755404 659172597 /nfs/dbraw/zinc/17/25/97/659172597.db2.gz RIFAQVXPKPJOKW-ICSRJNTNSA-N 0 3 316.489 3.483 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)C(F)=C3CCCC3)C2)CC1 ZINC001040670561 659226292 /nfs/dbraw/zinc/22/62/92/659226292.db2.gz YVCJNLJJSIULNL-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2nsc3ccccc32)C[C@H]1C ZINC000947338463 659289864 /nfs/dbraw/zinc/28/98/64/659289864.db2.gz LMFVGPZTLXJKRM-OLZOCXBDSA-N 0 3 315.442 3.065 20 30 DGEDHN N#CCOc1ccc(CNCc2ccc(-n3cccn3)cc2)cc1 ZINC000171769439 659297385 /nfs/dbraw/zinc/29/73/85/659297385.db2.gz OZNJDPNTHWGPAH-UHFFFAOYSA-N 0 3 318.380 3.064 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000171768981 659297911 /nfs/dbraw/zinc/29/79/11/659297911.db2.gz RHYXDJVEBCUULT-OAHLLOKOSA-N 0 3 321.380 3.170 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CCC[C@H]12 ZINC000991926833 659357789 /nfs/dbraw/zinc/35/77/89/659357789.db2.gz AFCGRLDNRKUACF-LVEJAMMSSA-N 0 3 302.462 3.112 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000173989732 659407885 /nfs/dbraw/zinc/40/78/85/659407885.db2.gz LWLUPSPMJPQOEI-ONDHQXCVSA-N 0 3 320.433 3.245 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC1(C)C)C2 ZINC001045959352 659446899 /nfs/dbraw/zinc/44/68/99/659446899.db2.gz NMHKTHYEPDTNCZ-YLJYHZDGSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)c(C)c3)CCC[C@@H]12 ZINC000992151902 659474722 /nfs/dbraw/zinc/47/47/22/659474722.db2.gz IHFARCZWTASZDZ-SJLPKXTDSA-N 0 3 302.393 3.047 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3cccs3)CCC[C@H]12 ZINC000992165993 659479115 /nfs/dbraw/zinc/47/91/15/659479115.db2.gz FVNYDTNDCHCYCG-JLJPHGGASA-N 0 3 304.459 3.151 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C(C)C)cn3)CCC[C@@H]12 ZINC000992186274 659488761 /nfs/dbraw/zinc/48/87/61/659488761.db2.gz FVHGSGWVRKBCIM-IEBWSBKVSA-N 0 3 313.445 3.118 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)c(F)c3F)CCC[C@@H]12 ZINC000992288577 659511271 /nfs/dbraw/zinc/51/12/71/659511271.db2.gz SWTIPIVOLJGDAM-RDTXWAMCSA-N 0 3 320.383 3.186 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)CCC[C@H]12 ZINC000992338047 659528847 /nfs/dbraw/zinc/52/88/47/659528847.db2.gz KPEMDKQUPDTYKN-YXYSEUPNSA-N 0 3 324.468 3.479 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC[C@@H]12 ZINC000992418079 659545021 /nfs/dbraw/zinc/54/50/21/659545021.db2.gz FDAKUMBQCDMRKG-XFKSJGNHSA-N 0 3 310.441 3.089 20 30 DGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)c(CC)o3)CCC[C@@H]12 ZINC000992421376 659546451 /nfs/dbraw/zinc/54/64/51/659546451.db2.gz YLEOULSCGXSEOG-MJGOQNOKSA-N 0 3 316.445 3.453 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992438455 659550267 /nfs/dbraw/zinc/55/02/67/659550267.db2.gz OXESOQXZXPCWCH-AZUAARDMSA-N 0 3 310.441 3.054 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4[nH]ccc4s3)CCC[C@@H]12 ZINC000992447765 659551102 /nfs/dbraw/zinc/55/11/02/659551102.db2.gz OQYHCZSEUPJZDV-WBVHZDCISA-N 0 3 315.442 3.142 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4ccccc4o3)CCC[C@@H]12 ZINC000992457659 659553258 /nfs/dbraw/zinc/55/32/58/659553258.db2.gz VDSSQYSYSZEGKO-MJGOQNOKSA-N 0 3 310.397 3.346 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3cc4ccccc4[nH]3)CCC[C@@H]12 ZINC000992460462 659554522 /nfs/dbraw/zinc/55/45/22/659554522.db2.gz BTLFOQCBVAQAKE-IEBWSBKVSA-N 0 3 309.413 3.081 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)c3cccc(F)c3)CCC[C@H]12 ZINC000992494209 659563912 /nfs/dbraw/zinc/56/39/12/659563912.db2.gz KBDBHTLFJSIDEG-DKSSEZFCSA-N 0 3 316.420 3.228 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3cccc(F)c3)CCC[C@@H]12 ZINC000992494214 659563927 /nfs/dbraw/zinc/56/39/27/659563927.db2.gz KBDBHTLFJSIDEG-POZUXBRTSA-N 0 3 316.420 3.228 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(C(C)(C)C)C3)CCC[C@H]12 ZINC000992516093 659568697 /nfs/dbraw/zinc/56/86/97/659568697.db2.gz NGUACHSQSDIBKM-GETDIDHLSA-N 0 3 304.478 3.358 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3CCCCC3(C)C)CCC[C@H]12 ZINC000992534503 659572922 /nfs/dbraw/zinc/57/29/22/659572922.db2.gz ZDQBLWPBZOPIRY-ABSDTBQOSA-N 0 3 316.489 3.339 20 30 DGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993068914 659670294 /nfs/dbraw/zinc/67/02/94/659670294.db2.gz JOBPFXRHHYWRKR-KGLIPLIRSA-N 0 3 307.463 3.000 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCN(CCc3cccs3)C2)CC1 ZINC001015654806 659723923 /nfs/dbraw/zinc/72/39/23/659723923.db2.gz FTFGBVRTYMHKEV-MRXNPFEDSA-N 0 3 318.486 3.228 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)n(CC)c2C)[C@@H]1C ZINC000993551808 659760801 /nfs/dbraw/zinc/76/08/01/659760801.db2.gz DEDBLVIDVBBANF-WMZOPIPTSA-N 0 3 317.477 3.284 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000993563417 659763421 /nfs/dbraw/zinc/76/34/21/659763421.db2.gz DDIARILFHQSKHZ-WMLDXEAASA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnc3ccccc32)[C@H]1C ZINC000993570661 659764695 /nfs/dbraw/zinc/76/46/95/659764695.db2.gz MGZYRNHWSCXEHN-CRAIPNDOSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@@H]1C ZINC000993588728 659767599 /nfs/dbraw/zinc/76/75/99/659767599.db2.gz QYGIRYMOHYPBQM-HKUYNNGSSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)c2cccc3ncccc32)[C@@H]1C ZINC000993645978 659770981 /nfs/dbraw/zinc/77/09/81/659770981.db2.gz QHLARHSBXXWRJH-WMLDXEAASA-N 0 3 309.413 3.004 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)c2cccs2)[C@@H]1C ZINC000993704002 659782225 /nfs/dbraw/zinc/78/22/25/659782225.db2.gz RZHYDXHMTMINMJ-LSDHHAIUSA-N 0 3 318.486 3.018 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc[nH]c2CCC)[C@@H]1C ZINC000993704945 659783342 /nfs/dbraw/zinc/78/33/42/659783342.db2.gz QBAFOFHTCWQGGH-HOCLYGCPSA-N 0 3 303.450 3.126 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1C ZINC000993734746 659787556 /nfs/dbraw/zinc/78/75/56/659787556.db2.gz TYQRWYAHKXYBRO-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)[C@@H]1C ZINC000993781743 659789260 /nfs/dbraw/zinc/78/92/60/659789260.db2.gz XRGWSFWPYQBVFS-BLLLJJGKSA-N 0 3 324.827 3.177 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC000993824079 659792909 /nfs/dbraw/zinc/79/29/09/659792909.db2.gz KNALVQFMPGYUHY-PBHICJAKSA-N 0 3 311.429 3.327 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H]1C ZINC000993884322 659798213 /nfs/dbraw/zinc/79/82/13/659798213.db2.gz FCPNHRRHHWBJAZ-QAPCUYQASA-N 0 3 323.440 3.394 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H]1C ZINC000993898636 659798318 /nfs/dbraw/zinc/79/83/18/659798318.db2.gz HJROYZZRGPMORW-APWZRJJASA-N 0 3 314.473 3.337 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2sc(C)cc2OC)[C@H]1C ZINC000993924589 659799557 /nfs/dbraw/zinc/79/95/57/659799557.db2.gz FPQJZFDKMOWDLT-KGLIPLIRSA-N 0 3 322.474 3.224 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC000993935108 659800963 /nfs/dbraw/zinc/80/09/63/659800963.db2.gz CBXDBHHSTCCLJX-DGCLKSJQSA-N 0 3 310.850 3.008 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H]1C ZINC000994123665 659812113 /nfs/dbraw/zinc/81/21/13/659812113.db2.gz LKQMSLVFYZMKHN-WMLDXEAASA-N 0 3 316.445 3.317 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H]1C ZINC000994195291 659818297 /nfs/dbraw/zinc/81/82/97/659818297.db2.gz YOFFMSIUFYZWDC-LSDHHAIUSA-N 0 3 318.465 3.000 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H]1C ZINC000994195291 659818301 /nfs/dbraw/zinc/81/83/01/659818301.db2.gz YOFFMSIUFYZWDC-LSDHHAIUSA-N 0 3 318.465 3.000 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2sccc2COC)[C@@H]1C ZINC000994225945 659822310 /nfs/dbraw/zinc/82/23/10/659822310.db2.gz DYYZXBLRQVLVPM-ZFWWWQNUSA-N 0 3 322.474 3.053 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(C)ccc2F)[C@@H]1C ZINC000994251566 659825170 /nfs/dbraw/zinc/82/51/70/659825170.db2.gz MXPQCYKZRCZWAF-YJBOKZPZSA-N 0 3 318.436 3.222 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(C)ccc2F)[C@H]1C ZINC000994251561 659825350 /nfs/dbraw/zinc/82/53/50/659825350.db2.gz MXPQCYKZRCZWAF-QAPCUYQASA-N 0 3 318.436 3.222 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@H]1C ZINC000994256430 659826335 /nfs/dbraw/zinc/82/63/35/659826335.db2.gz XVKCOUIBXHYEET-CJNGLKHVSA-N 0 3 320.383 3.230 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(F)cccc2Cl)[C@@H]1C ZINC000994267378 659829489 /nfs/dbraw/zinc/82/94/89/659829489.db2.gz WWQQFMZTXRYHOX-SWLSCSKDSA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H]1C ZINC000994300561 659835910 /nfs/dbraw/zinc/83/59/10/659835910.db2.gz KRWANGMTDKRTGR-JXFKEZNVSA-N 0 3 320.436 3.446 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2sc(C)cc2C)[C@@H]1C ZINC000994298537 659837140 /nfs/dbraw/zinc/83/71/40/659837140.db2.gz OJSYNCDOVWONPX-JKSUJKDBSA-N 0 3 320.502 3.453 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994344199 659840480 /nfs/dbraw/zinc/84/04/80/659840480.db2.gz BYNKPVXOEINPEH-WMZOPIPTSA-N 0 3 300.446 3.462 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994357593 659844594 /nfs/dbraw/zinc/84/45/94/659844594.db2.gz XSWOETYRKRPYTP-AEFFLSMTSA-N 0 3 300.446 3.462 20 30 DGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc3c(s2)CCC3)[C@@H]1C ZINC000994378519 659848982 /nfs/dbraw/zinc/84/89/82/659848982.db2.gz ORJMOOPKZFWLHX-ZFWWWQNUSA-N 0 3 318.486 3.396 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(Cl)cn2CC)[C@@H]1C ZINC000994433649 659853401 /nfs/dbraw/zinc/85/34/01/659853401.db2.gz LYGWVNNNQSWEFC-DZGCQCFKSA-N 0 3 323.868 3.320 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC000994492084 659861945 /nfs/dbraw/zinc/86/19/45/659861945.db2.gz JHYLEUGBYOPBMS-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2CC)[C@H]1C ZINC000994505218 659863811 /nfs/dbraw/zinc/86/38/11/659863811.db2.gz YYAIRIFOMHPFGY-UKRRQHHQSA-N 0 3 306.475 3.469 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H]1C ZINC000994532626 659873822 /nfs/dbraw/zinc/87/38/22/659873822.db2.gz LHCXVAWPFUXDIE-HKUYNNGSSA-N 0 3 324.468 3.019 20 30 DGEDHN C#CCCCCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000930017225 659886734 /nfs/dbraw/zinc/88/67/34/659886734.db2.gz IATJCTXUYBWASQ-KRWDZBQOSA-N 0 3 306.837 3.214 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]3CC)C2)CC1 ZINC001040836900 659901409 /nfs/dbraw/zinc/90/14/09/659901409.db2.gz ZMOVILXZSZSDLT-ZWKOTPCHSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3scnc3c2)C[C@@H]1C ZINC000947881782 659970027 /nfs/dbraw/zinc/97/00/27/659970027.db2.gz JAUQVSVWMVPZPK-JSGCOSHPSA-N 0 3 315.442 3.065 20 30 DGEDHN C#CCCN1CC(CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001031852227 660015195 /nfs/dbraw/zinc/01/51/95/660015195.db2.gz SVXGVMKNEVDNQL-UHFFFAOYSA-N 0 3 310.441 3.029 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)CC1 ZINC001040919969 660031533 /nfs/dbraw/zinc/03/15/33/660031533.db2.gz ZIYOHLITGSKUDQ-SFHVURJKSA-N 0 3 324.468 3.046 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000940745553 660062350 /nfs/dbraw/zinc/06/23/50/660062350.db2.gz PVECBJAFBQWYHX-DLBZAZTESA-N 0 3 316.489 3.197 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000940760817 660063037 /nfs/dbraw/zinc/06/30/37/660063037.db2.gz UZUQPXUZIIIXCQ-ZWKOTPCHSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C)cc2C)C(C)(C)C1 ZINC000940781227 660064705 /nfs/dbraw/zinc/06/47/05/660064705.db2.gz WZDMUQKPEZVXOO-CQSZACIVSA-N 0 3 306.475 3.381 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cccnc2C(F)F)C(C)(C)C1 ZINC000940879194 660070173 /nfs/dbraw/zinc/07/01/73/660070173.db2.gz PAFYEABVVQWEEK-CYBMUJFWSA-N 0 3 323.387 3.036 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3ccccc32)C(C)(C)C1 ZINC000940873837 660071126 /nfs/dbraw/zinc/07/11/26/660071126.db2.gz XRWGVJZRVZAGBX-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cc(C)nc2C)C(C)(C)C1 ZINC000940904071 660072131 /nfs/dbraw/zinc/07/21/31/660072131.db2.gz BISPXKRHDLQNLX-INIZCTEOSA-N 0 3 315.461 3.023 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000940912089 660072284 /nfs/dbraw/zinc/07/22/84/660072284.db2.gz NETYOMKAAMACSX-XMTFNYHQSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ncccc32)C(C)(C)C1 ZINC000940928300 660072685 /nfs/dbraw/zinc/07/26/85/660072685.db2.gz GQMNELZGTSROLC-SFHVURJKSA-N 0 3 323.440 3.251 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C(C)(C)C1 ZINC000940922368 660073706 /nfs/dbraw/zinc/07/37/06/660073706.db2.gz RVEKDPPGDANCOD-QGZVFWFLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)C(C)(C)C1 ZINC000940967132 660076642 /nfs/dbraw/zinc/07/66/42/660076642.db2.gz GEPWJYVJXZTZCR-HNNXBMFYSA-N 0 3 303.450 3.154 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccsc2)C(C)(C)C1 ZINC000941028080 660081059 /nfs/dbraw/zinc/08/10/59/660081059.db2.gz YMRXHNLBLSINMO-UKRRQHHQSA-N 0 3 306.475 3.254 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ncsc2C2CC2)C(C)(C)C1 ZINC000941027449 660081246 /nfs/dbraw/zinc/08/12/46/660081246.db2.gz FUQYZNYOCFNLBA-ZDUSSCGKSA-N 0 3 319.474 3.037 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)C(C)(C)C1 ZINC000941028339 660081278 /nfs/dbraw/zinc/08/12/78/660081278.db2.gz ZHCSJGZLWLJAOU-HOCLYGCPSA-N 0 3 318.486 3.092 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C(C)(C)C1 ZINC000941033011 660081666 /nfs/dbraw/zinc/08/16/66/660081666.db2.gz LBSNOTJXYAXJHS-MRXNPFEDSA-N 0 3 315.461 3.299 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C(C)(C)C1 ZINC000941054050 660082811 /nfs/dbraw/zinc/08/28/11/660082811.db2.gz BJBCLGKFUAMJAK-HNNXBMFYSA-N 0 3 324.827 3.495 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2Cl)C(C)(C)C1 ZINC000941075426 660083125 /nfs/dbraw/zinc/08/31/25/660083125.db2.gz LIEXMJNUEWMDRI-GFCCVEGCSA-N 0 3 312.866 3.418 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccsc2C)C(C)(C)C1 ZINC000941078988 660085260 /nfs/dbraw/zinc/08/52/60/660085260.db2.gz JUQMOFICXOHJDK-HNNXBMFYSA-N 0 3 306.475 3.002 20 30 DGEDHN C#Cc1cccc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000182865254 660086838 /nfs/dbraw/zinc/08/68/38/660086838.db2.gz GVNMVRVTEAGKIT-MRXNPFEDSA-N 0 3 321.424 3.310 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)C(C)(C)C1 ZINC000941175727 660091507 /nfs/dbraw/zinc/09/15/07/660091507.db2.gz ZPWZHKINUAXYBY-INIZCTEOSA-N 0 3 304.409 3.150 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)(C)C1 ZINC000941177278 660091829 /nfs/dbraw/zinc/09/18/29/660091829.db2.gz IUVARSWRDNKZRS-OAHLLOKOSA-N 0 3 306.837 3.356 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)C(C)(C)C1 ZINC000941180631 660092415 /nfs/dbraw/zinc/09/24/15/660092415.db2.gz KTGAYALDMINSLF-HNNXBMFYSA-N 0 3 306.837 3.356 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)C(C)(C)C1 ZINC000941191457 660093317 /nfs/dbraw/zinc/09/33/17/660093317.db2.gz SUSBDYBZSZCLDY-MRXNPFEDSA-N 0 3 320.502 3.310 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C(C)(C)C1 ZINC000941206672 660095222 /nfs/dbraw/zinc/09/52/22/660095222.db2.gz LHZLLFBFEJZTNJ-OAHLLOKOSA-N 0 3 306.475 3.381 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000941245660 660098265 /nfs/dbraw/zinc/09/82/65/660098265.db2.gz VZVDNUUZPJOCMG-JCYILVPMSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001031991325 660133512 /nfs/dbraw/zinc/13/35/12/660133512.db2.gz HWAYOMZEFNVMAR-WOJBJXKFSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nc2C)[C@@H](C)C1 ZINC000942099147 660136978 /nfs/dbraw/zinc/13/69/78/660136978.db2.gz HCPXBOOOHPERPA-KSSFIOAISA-N 0 3 323.440 3.169 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)[C@@H](C)C1 ZINC000942102267 660137168 /nfs/dbraw/zinc/13/71/68/660137168.db2.gz WMCIIDZZRVJFAR-HNAYVOBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3cc(F)ccc23)[C@H](C)C1 ZINC000942202950 660143989 /nfs/dbraw/zinc/14/39/89/660143989.db2.gz FTZGWZVZDJNTTN-MLGOLLRUSA-N 0 3 316.376 3.198 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000942518131 660154162 /nfs/dbraw/zinc/15/41/62/660154162.db2.gz MZSMZIOEDSQDBG-YOEHRIQHSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000942937139 660173148 /nfs/dbraw/zinc/17/31/48/660173148.db2.gz GCKYMUVQSLUWDW-YOEHRIQHSA-N 0 3 318.848 3.112 20 30 DGEDHN COc1ccccc1CN(CCO)CCCCC1(C#N)CCC1 ZINC000929504003 661313409 /nfs/dbraw/zinc/31/34/09/661313409.db2.gz DQRWPCXJPBYVFA-UHFFFAOYSA-N 0 3 316.445 3.354 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000929603165 661320469 /nfs/dbraw/zinc/32/04/69/661320469.db2.gz GYHLDSALIGCSPT-GJZGRUSLSA-N 0 3 312.335 3.063 20 30 DGEDHN Cc1nc([C@H]2CCCN(Cc3cc(Cl)cc(C#N)c3)C2)n[nH]1 ZINC000929839057 661343487 /nfs/dbraw/zinc/34/34/87/661343487.db2.gz SWUCXGNDQBBFHG-AWEZNQCLSA-N 0 3 315.808 3.018 20 30 DGEDHN Cc1n[nH]c([C@H]2CCCN(Cc3cc(Cl)cc(C#N)c3)C2)n1 ZINC000929839057 661343491 /nfs/dbraw/zinc/34/34/91/661343491.db2.gz SWUCXGNDQBBFHG-AWEZNQCLSA-N 0 3 315.808 3.018 20 30 DGEDHN Cc1nnc([C@H]2CCCN(Cc3cc(Cl)cc(C#N)c3)C2)[nH]1 ZINC000929839057 661343493 /nfs/dbraw/zinc/34/34/93/661343493.db2.gz SWUCXGNDQBBFHG-AWEZNQCLSA-N 0 3 315.808 3.018 20 30 DGEDHN N#CC1CCC(CN2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000930084774 661365139 /nfs/dbraw/zinc/36/51/39/661365139.db2.gz CMMSGBAPCAMALY-UHYCVJNDSA-N 0 3 310.441 3.490 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN(C)[C@@H](C)c2ccncc2)cc1 ZINC000930119775 661368173 /nfs/dbraw/zinc/36/81/73/661368173.db2.gz ROALUDNYPHIMMR-HNNXBMFYSA-N 0 3 307.397 3.085 20 30 DGEDHN N#CC[C@@H](O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000930214419 661378815 /nfs/dbraw/zinc/37/88/15/661378815.db2.gz XUZRAHKBYGSDLF-QZTJIDSGSA-N 0 3 314.816 3.488 20 30 DGEDHN N#Cc1cccc(C2(NCCOC3CCSCC3)CC2)c1 ZINC000930219188 661379236 /nfs/dbraw/zinc/37/92/36/661379236.db2.gz JKVIRJDZHFQDDZ-UHFFFAOYSA-N 0 3 302.443 3.049 20 30 DGEDHN COC/C(C)=C/CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000930465759 661401171 /nfs/dbraw/zinc/40/11/71/661401171.db2.gz DDXFVWOCIHJFMD-LHHJGKSTSA-N 0 3 318.392 3.133 20 30 DGEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3cncc(C#N)c3)C2)c1 ZINC000930668141 661420398 /nfs/dbraw/zinc/42/03/98/661420398.db2.gz XGBMSSURVLKHNA-IYARVYRRSA-N 0 3 307.397 3.340 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(O)(Cc2ccccn2)CC1 ZINC000930990910 661443872 /nfs/dbraw/zinc/44/38/72/661443872.db2.gz PIOXJWGPASBOHU-INIZCTEOSA-N 0 3 321.424 3.084 20 30 DGEDHN C#CC1(O)CCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000931144664 661456630 /nfs/dbraw/zinc/45/66/30/661456630.db2.gz AETPDGPOZAQUCK-LBPRGKRZSA-N 0 3 313.319 3.106 20 30 DGEDHN Cc1ccc(C#N)cc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000932504682 661574517 /nfs/dbraw/zinc/57/45/17/661574517.db2.gz SFMRPNVLLDRZGI-INIZCTEOSA-N 0 3 321.424 3.117 20 30 DGEDHN Cc1noc(C[C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000933563061 661641127 /nfs/dbraw/zinc/64/11/27/661641127.db2.gz AJODHSCFSQSWDR-OAHLLOKOSA-N 0 3 310.401 3.013 20 30 DGEDHN O=C1C=COC2(CCN(Cc3ccc4ncccc4c3)CC2)C1 ZINC000933649044 661647768 /nfs/dbraw/zinc/64/77/68/661647768.db2.gz VXMFHHHSRMHWBW-UHFFFAOYSA-N 0 3 308.381 3.073 20 30 DGEDHN CCCCC1(N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000934208082 661688156 /nfs/dbraw/zinc/68/81/56/661688156.db2.gz WDQLSUPFLBHVMP-GFCCVEGCSA-N 0 3 303.406 3.408 20 30 DGEDHN CCCCC1(N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000934208083 661688290 /nfs/dbraw/zinc/68/82/90/661688290.db2.gz WDQLSUPFLBHVMP-LBPRGKRZSA-N 0 3 303.406 3.408 20 30 DGEDHN C=CCCCN(CC)Cc1ccc(OCC(F)(F)F)nn1 ZINC000934647950 661722035 /nfs/dbraw/zinc/72/20/35/661722035.db2.gz TUGFGPQCQJWKHP-UHFFFAOYSA-N 0 3 303.328 3.206 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)C=C2CCC2)CCN1Cc1ccc(C#N)cc1 ZINC000947184159 661892717 /nfs/dbraw/zinc/89/27/17/661892717.db2.gz GALZEAXNDKIKJQ-BEFAXECRSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2CC)C[C@@H]1C ZINC000947498066 661911582 /nfs/dbraw/zinc/91/15/82/661911582.db2.gz OEFRRJZMOVUTKT-XJKSGUPXSA-N 0 3 304.409 3.157 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2CC)C[C@H]1C ZINC000947498065 661911929 /nfs/dbraw/zinc/91/19/29/661911929.db2.gz OEFRRJZMOVUTKT-CZUORRHYSA-N 0 3 304.409 3.157 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C[C@@H]1C ZINC000947556505 661916211 /nfs/dbraw/zinc/91/62/11/661916211.db2.gz QNMJZIIFRYTFTI-JKSUJKDBSA-N 0 3 323.440 3.312 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C[C@@H]1C ZINC000947619526 661921268 /nfs/dbraw/zinc/92/12/68/661921268.db2.gz IJJJRKWSFHBXAQ-HOCLYGCPSA-N 0 3 323.440 3.001 20 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LGMMKTKLGDQBDE-QWHCGFSZSA-N 0 3 322.811 3.085 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccccc3C)CCC2)C[C@@H]1C ZINC000947975688 661941139 /nfs/dbraw/zinc/94/11/39/661941139.db2.gz PRFZIJBFMFDGPZ-ZWKOTPCHSA-N 0 3 324.468 3.019 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cnccc32)C[C@@H]1C ZINC000948053612 661946557 /nfs/dbraw/zinc/94/65/57/661946557.db2.gz TUVMDMGWAYMEQW-HOCLYGCPSA-N 0 3 309.413 3.004 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2C(C)C)C[C@@H]1C ZINC000948061162 661947151 /nfs/dbraw/zinc/94/71/51/661947151.db2.gz PMNCUAGEWFGINO-GJZGRUSLSA-N 0 3 318.486 3.478 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C[C@H]1C ZINC000948071310 661948038 /nfs/dbraw/zinc/94/80/38/661948038.db2.gz WVQMTDVOTXEODJ-IEBWSBKVSA-N 0 3 324.468 3.019 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C[C@@H]1C ZINC000948077371 661948376 /nfs/dbraw/zinc/94/83/76/661948376.db2.gz CMCJLEQLMPQIAT-KXBFYZLASA-N 0 3 310.441 3.170 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)C[C@H]1C ZINC000948078887 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C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC(C(C)(C)C)C3)[C@@H]2C1 ZINC001076626288 687546329 /nfs/dbraw/zinc/54/63/29/687546329.db2.gz ZPXNVQAZOXEZEK-ZGRYLRDCSA-N 0 3 304.478 3.168 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccc(C)s2)C12CCC2 ZINC001078534206 687678169 /nfs/dbraw/zinc/67/81/69/687678169.db2.gz LINHSPIAYDBKPT-KGLIPLIRSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(F)c2)C12CCC2 ZINC001078539131 687679055 /nfs/dbraw/zinc/67/90/55/687679055.db2.gz NQCQRHBNWMRTRT-LSDHHAIUSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccoc2CC)C12CCC2 ZINC001078613792 687689279 /nfs/dbraw/zinc/68/92/79/687689279.db2.gz ABSMEMVDAGVXAZ-LSDHHAIUSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)C12CCC2 ZINC001078703129 687707888 /nfs/dbraw/zinc/70/78/88/687707888.db2.gz KZEMDIRLMJNSKQ-LSDHHAIUSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2csc(C)c2)C12CCC2 ZINC001078745655 687719310 /nfs/dbraw/zinc/71/93/10/687719310.db2.gz AJGNYYVZXSGURV-ZIAGYGMSSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)cc2)C12CCC2 ZINC001078791374 687731852 /nfs/dbraw/zinc/73/18/52/687731852.db2.gz IPBWBFRZYLEQKL-HOTGVXAUSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001079963551 687906734 /nfs/dbraw/zinc/90/67/34/687906734.db2.gz ILBGOMHOTXIWEO-AYOQOUSVSA-N 0 3 312.457 3.119 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001079980700 687908860 /nfs/dbraw/zinc/90/88/60/687908860.db2.gz XKLKHPGTBRXMJC-RHSMWYFYSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cccc(C)c3)C[C@H]2C)C1 ZINC001080404808 687972482 /nfs/dbraw/zinc/97/24/82/687972482.db2.gz ZUEWAXVFWZPCNP-SJLPKXTDSA-N 0 3 312.457 3.288 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001080596906 687999498 /nfs/dbraw/zinc/99/94/98/687999498.db2.gz FLXINJOJWDOQIN-QXCFHYIPSA-N 0 3 312.457 3.111 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001080644073 688007320 /nfs/dbraw/zinc/00/73/20/688007320.db2.gz YHIQGWNRSQDTJO-RHSMWYFYSA-N 0 3 300.446 3.220 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001080833329 688018186 /nfs/dbraw/zinc/01/81/86/688018186.db2.gz CXVFFYUVWUXLFG-MVJVIOSPSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001081012561 688032971 /nfs/dbraw/zinc/03/29/71/688032971.db2.gz ZLACKZGGRQLROP-ATZDWAIDSA-N 0 3 312.457 3.119 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)C2CCCC2)C[C@H]1c1ccccc1 ZINC001081213563 688059274 /nfs/dbraw/zinc/05/92/74/688059274.db2.gz DPNLQLXTDSSMMB-LSTHTHJFSA-N 0 3 324.468 3.030 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC001576623939 1191855294 /nfs/dbraw/zinc/85/52/94/1191855294.db2.gz MWFGDADFUHXJGB-FZCLSBEQSA-N 0 3 313.445 3.191 20 30 DGEDHN CC[C@H](N)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001578231085 1191933046 /nfs/dbraw/zinc/93/30/46/1191933046.db2.gz CAWSNCSFUZYXST-UGSOOPFHSA-N 0 3 307.397 3.140 20 30 DGEDHN C=CCC[C@H]1CCCN1CC(=O)NCc1ccc(CC)s1 ZINC001620641319 1192055440 /nfs/dbraw/zinc/05/54/40/1192055440.db2.gz LGSYDLDMPUYHGB-AWEZNQCLSA-N 0 3 306.475 3.357 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)OCc1cccc(Cl)c1 ZINC001663023329 1196784454 /nfs/dbraw/zinc/78/44/54/1196784454.db2.gz DHFXSKXBURWCAZ-UHFFFAOYSA-N 0 3 310.825 3.416 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558954 1192450134 /nfs/dbraw/zinc/45/01/34/1192450134.db2.gz FVMFRMZDHPAMEU-GZBFAFLISA-N 0 3 312.421 3.047 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558954 1192450139 /nfs/dbraw/zinc/45/01/39/1192450139.db2.gz FVMFRMZDHPAMEU-GZBFAFLISA-N 0 3 312.421 3.047 20 30 DGEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588539593 1192450400 /nfs/dbraw/zinc/45/04/00/1192450400.db2.gz QTCORWHFTNDPAU-QWRGUYRKSA-N 0 3 305.813 3.210 20 30 DGEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588539593 1192450401 /nfs/dbraw/zinc/45/04/01/1192450401.db2.gz QTCORWHFTNDPAU-QWRGUYRKSA-N 0 3 305.813 3.210 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCCN1CCc2ccccc2C1 ZINC001595655212 1192665451 /nfs/dbraw/zinc/66/54/51/1192665451.db2.gz HNABERGQTXLKKI-MRXNPFEDSA-N 0 3 300.446 3.153 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc[nH]c1)c1ccc(C(C)C)cc1 ZINC001691767490 1176040546 /nfs/dbraw/zinc/04/05/46/1176040546.db2.gz NRSFIBJRZPZIQZ-LJQANCHMSA-N 0 3 323.440 3.222 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001772512203 1176047859 /nfs/dbraw/zinc/04/78/59/1176047859.db2.gz YWZXBEOXEXTETI-MOPGFXCFSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CC1(CC(=O)NCCN(C)C[C@H]2CCCCO2)CCCCC1 ZINC001690983207 1176067189 /nfs/dbraw/zinc/06/71/89/1176067189.db2.gz AWIHECYCFXEWBJ-QGZVFWFLSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](CN(C)C[C@H](F)CC)C2)CCC1 ZINC001691979938 1176096661 /nfs/dbraw/zinc/09/66/61/1176096661.db2.gz UOFRQYCLSUSRLN-HZPDHXFCSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](CN(C)C[C@@H](F)CC)C2)CCC1 ZINC001691979937 1176098494 /nfs/dbraw/zinc/09/84/94/1176098494.db2.gz UOFRQYCLSUSRLN-HOTGVXAUSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001670527572 1176161610 /nfs/dbraw/zinc/16/16/10/1176161610.db2.gz JLISDHAHRYNASO-IBGZPJMESA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccc(Cl)s1 ZINC001754005486 1176167006 /nfs/dbraw/zinc/16/70/06/1176167006.db2.gz XCQUUZJHBYAKLJ-SNVBAGLBSA-N 0 3 321.273 3.181 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001670657334 1176203868 /nfs/dbraw/zinc/20/38/68/1176203868.db2.gz WAGKODQNRDRFAM-UONOGXRCSA-N 0 3 322.399 3.432 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cc2ccccc2o1 ZINC001670673045 1176211304 /nfs/dbraw/zinc/21/13/04/1176211304.db2.gz VGEGKBJOEOFCCQ-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001670678020 1176212906 /nfs/dbraw/zinc/21/29/06/1176212906.db2.gz YKJKLTRVBLSGBB-GOSISDBHSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001670707061 1176225907 /nfs/dbraw/zinc/22/59/07/1176225907.db2.gz JTHPYBGZZSTQIO-DNVCBOLYSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001670729958 1176250400 /nfs/dbraw/zinc/25/04/00/1176250400.db2.gz ONFOGVPNJJLKKM-HNNXBMFYSA-N 0 3 311.429 3.247 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001772541448 1176273053 /nfs/dbraw/zinc/27/30/53/1176273053.db2.gz CCDQISAPIHHPJM-LSDHHAIUSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1[C@H]1CCc2c1cccc2F ZINC001691069970 1176292842 /nfs/dbraw/zinc/29/28/42/1176292842.db2.gz SNTQZIBBNBDLJP-KSSFIOAISA-N 0 3 316.420 3.360 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001691089516 1176303045 /nfs/dbraw/zinc/30/30/45/1176303045.db2.gz ODYQDWLTPCXDBA-RTBURBONSA-N 0 3 312.457 3.337 20 30 DGEDHN CC(C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)=C1CCC1 ZINC001691093115 1176306238 /nfs/dbraw/zinc/30/62/38/1176306238.db2.gz HSTDZRFBMDGZGJ-PUZFROQSSA-N 0 3 322.452 3.023 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001691097330 1176310970 /nfs/dbraw/zinc/31/09/70/1176310970.db2.gz JUJHOBHLIRUBEV-CJNGLKHVSA-N 0 3 306.837 3.210 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001691171110 1176354569 /nfs/dbraw/zinc/35/45/69/1176354569.db2.gz NDCMFVGECHQVGO-PKOBYXMFSA-N 0 3 306.494 3.444 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccn1CC)c1ccccc1 ZINC001691800326 1176365647 /nfs/dbraw/zinc/36/56/47/1176365647.db2.gz IFVMIWKSNJWDKI-KRWDZBQOSA-N 0 3 311.429 3.145 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(C)nc2ccccc21)C1CC1 ZINC001691235094 1176407918 /nfs/dbraw/zinc/40/79/18/1176407918.db2.gz IIIPLRMRFMQROL-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)CC(C)C)C2)CC1 ZINC001691277047 1176420601 /nfs/dbraw/zinc/42/06/01/1176420601.db2.gz MRTYGXHPJQFBLM-MSOLQXFVSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cccc(C(F)F)c1 ZINC001691388360 1176460253 /nfs/dbraw/zinc/46/02/53/1176460253.db2.gz IXYKOQWPJQCUQT-MRXNPFEDSA-N 0 3 322.399 3.276 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001691429396 1176534872 /nfs/dbraw/zinc/53/48/72/1176534872.db2.gz BOFIMOPTTCKYNP-OTVXOJSOSA-N 0 3 306.837 3.291 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001691437094 1176552236 /nfs/dbraw/zinc/55/22/36/1176552236.db2.gz CUCBNNOYRISSIB-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2)[C@H]1C ZINC001750935433 1176567699 /nfs/dbraw/zinc/56/76/99/1176567699.db2.gz XVJFNFQSIORSPI-NUJGCVRESA-N 0 3 300.446 3.020 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001754557753 1176604768 /nfs/dbraw/zinc/60/47/68/1176604768.db2.gz NEZQIDQXHXTSQF-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)C(C)(F)F)CC1 ZINC001731387307 1176612949 /nfs/dbraw/zinc/61/29/49/1176612949.db2.gz LZFBOWYSHSBDKE-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2ccc(C)cc2)C1 ZINC001691453286 1176619166 /nfs/dbraw/zinc/61/91/66/1176619166.db2.gz WWMNVDUQDRVZGB-CALCHBBNSA-N 0 3 320.864 3.165 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2sccc2Cl)C1 ZINC001754726633 1176676506 /nfs/dbraw/zinc/67/65/06/1176676506.db2.gz FACGBXGQWNUVPF-HNNXBMFYSA-N 0 3 312.866 3.419 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(F)cc2)CC1 ZINC001752432716 1176805799 /nfs/dbraw/zinc/80/57/99/1176805799.db2.gz XPLJNQQYGDKXKZ-UHFFFAOYSA-N 0 3 304.409 3.328 20 30 DGEDHN C[C@H](NC1(CNC(=O)C#CC2CC2)CC1)c1cccc(Cl)c1 ZINC001670781645 1176837567 /nfs/dbraw/zinc/83/75/67/1176837567.db2.gz LSWVELPWSMBWBQ-ZDUSSCGKSA-N 0 3 316.832 3.053 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)c1F ZINC001755254013 1176871793 /nfs/dbraw/zinc/87/17/93/1176871793.db2.gz LSJJYQHLLVHLJA-OLZOCXBDSA-N 0 3 324.827 3.121 20 30 DGEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687383972 1176897240 /nfs/dbraw/zinc/89/72/40/1176897240.db2.gz IVIJBPDGYDBMLM-GOSISDBHSA-N 0 3 315.461 3.177 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1CCCCCC1)C(C)C ZINC001753826498 1176959084 /nfs/dbraw/zinc/95/90/84/1176959084.db2.gz WXIYIMHNHLYLQU-OAHLLOKOSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001752660552 1177004403 /nfs/dbraw/zinc/00/44/03/1177004403.db2.gz HYHUIVXFPRIDHN-SHTZXODSSA-N 0 3 306.837 3.433 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccoc1CC)C1CC1 ZINC001665990395 1197224871 /nfs/dbraw/zinc/22/48/71/1197224871.db2.gz FHAJNWDZGWEYEX-MRXNPFEDSA-N 0 3 310.825 3.083 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccccc2CC)CC1 ZINC001670832640 1177217086 /nfs/dbraw/zinc/21/70/86/1177217086.db2.gz IEJUGQLSTAFEQX-UHFFFAOYSA-N 0 3 300.446 3.200 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1cccs1 ZINC001752825369 1177234060 /nfs/dbraw/zinc/23/40/60/1177234060.db2.gz QWMBRXDGSKPVBV-HNNXBMFYSA-N 0 3 306.475 3.228 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC001752837751 1177288489 /nfs/dbraw/zinc/28/84/89/1177288489.db2.gz NAVNRNXXJVWXGO-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1c1ccccc1 ZINC001691551058 1177310108 /nfs/dbraw/zinc/31/01/08/1177310108.db2.gz LDDKVPSIWOYXDH-VQTJNVASSA-N 0 3 324.468 3.340 20 30 DGEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)C=C2CCC2)C1 ZINC001691577515 1177317302 /nfs/dbraw/zinc/31/73/02/1177317302.db2.gz QHKNTNJFYUNSBD-QFBILLFUSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001691659384 1177600380 /nfs/dbraw/zinc/60/03/80/1177600380.db2.gz HEOCLLWCFJMTCR-VHDGCEQUSA-N 0 3 324.852 3.400 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001691665407 1177616772 /nfs/dbraw/zinc/61/67/72/1177616772.db2.gz DGRPGLHANXLDKZ-CVEARBPZSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1cc(C)cc(C)c1 ZINC001691669888 1177628715 /nfs/dbraw/zinc/62/87/15/1177628715.db2.gz CONSDVHZYIFEAE-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001691669953 1177628773 /nfs/dbraw/zinc/62/87/73/1177628773.db2.gz DZUSMUKPAVKFQE-CABCVRRESA-N 0 3 319.449 3.128 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCc1sccc1C ZINC001691674477 1177670632 /nfs/dbraw/zinc/67/06/32/1177670632.db2.gz GERGJWFYQJERAF-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1OCC ZINC001691674677 1177670648 /nfs/dbraw/zinc/67/06/48/1177670648.db2.gz JRHULXLDOBHSOQ-MRXNPFEDSA-N 0 3 316.445 3.198 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](CC)c3ccccc3)C2)C1 ZINC001671084514 1177773865 /nfs/dbraw/zinc/77/38/65/1177773865.db2.gz BTTVXTBZRXOAQC-WIYYLYMNSA-N 0 3 324.468 3.128 20 30 DGEDHN C=C[C@@H](COC)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001331065236 1178126364 /nfs/dbraw/zinc/12/63/64/1178126364.db2.gz BEZSARXWSOLLJK-AWEZNQCLSA-N 0 3 306.406 3.324 20 30 DGEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc2ccccc21 ZINC001331474277 1178222237 /nfs/dbraw/zinc/22/22/37/1178222237.db2.gz JSIPISIZUXOBQK-QZTJIDSGSA-N 0 3 309.413 3.428 20 30 DGEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc2ccccc21 ZINC001331474275 1178222531 /nfs/dbraw/zinc/22/25/31/1178222531.db2.gz JSIPISIZUXOBQK-MSOLQXFVSA-N 0 3 309.413 3.428 20 30 DGEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CCC1(C)CC1 ZINC001332046956 1178343947 /nfs/dbraw/zinc/34/39/47/1178343947.db2.gz HWXKXNOXNQBMSW-MJGOQNOKSA-N 0 3 324.468 3.197 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)[C@@H]1C ZINC001332175856 1178382500 /nfs/dbraw/zinc/38/25/00/1178382500.db2.gz KGZLCEIMPCCEIC-IEBWSBKVSA-N 0 3 312.457 3.268 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccsc2)[C@@H]1C ZINC001332185223 1178385413 /nfs/dbraw/zinc/38/54/13/1178385413.db2.gz OIQSTJXIVIBKPD-GOEBONIOSA-N 0 3 306.475 3.226 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccsc2)[C@H]1C ZINC001332185222 1178385943 /nfs/dbraw/zinc/38/59/43/1178385943.db2.gz OIQSTJXIVIBKPD-GDBMZVCRSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CC[C@H](C)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC001332266228 1178408479 /nfs/dbraw/zinc/40/84/79/1178408479.db2.gz GREATGPOGZAPSX-HNNXBMFYSA-N 0 3 317.429 3.012 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](NC[C@H](F)CC)C(C)(C)C2)CCC1 ZINC001332422882 1178442317 /nfs/dbraw/zinc/44/23/17/1178442317.db2.gz JVZYWNPLFSROAE-HUUCEWRRSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001332808833 1178501284 /nfs/dbraw/zinc/50/12/84/1178501284.db2.gz PAMNEYCALJACRX-AWEZNQCLSA-N 0 3 323.506 3.366 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)CC2(C)CCCC2)CC1 ZINC001332984160 1178534450 /nfs/dbraw/zinc/53/44/50/1178534450.db2.gz ABRLUORATRBIJK-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC2(c3ccccc3)CC2)CC1 ZINC001333351886 1178592770 /nfs/dbraw/zinc/59/27/70/1178592770.db2.gz VYSDMBZCJCCDMN-UHFFFAOYSA-N 0 3 310.441 3.043 20 30 DGEDHN CN(C)CCN(C(=O)c1ccc(C#N)cc1F)C1CCCCC1 ZINC001335791363 1178955490 /nfs/dbraw/zinc/95/54/90/1178955490.db2.gz UCADWMCXAITZKA-UHFFFAOYSA-N 0 3 317.408 3.034 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001336037468 1178985110 /nfs/dbraw/zinc/98/51/10/1178985110.db2.gz UJRYZOKWVADNIH-SFHVURJKSA-N 0 3 316.445 3.305 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC001341422045 1179006597 /nfs/dbraw/zinc/00/65/97/1179006597.db2.gz IKCRAVYFGHJBGK-INIZCTEOSA-N 0 3 319.449 3.110 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC001341566987 1179029110 /nfs/dbraw/zinc/02/91/10/1179029110.db2.gz JXKBKRJQNTYQKO-INIZCTEOSA-N 0 3 310.401 3.074 20 30 DGEDHN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC001342521228 1179148998 /nfs/dbraw/zinc/14/89/98/1179148998.db2.gz VQBLRJKHCMNROM-NJAFHUGGSA-N 0 3 313.445 3.192 20 30 DGEDHN Cc1ccccc1[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC001342716030 1179177915 /nfs/dbraw/zinc/17/79/15/1179177915.db2.gz HAZPLAASRBKAOM-PBHICJAKSA-N 0 3 312.413 3.256 20 30 DGEDHN C[C@@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC001343336436 1179259005 /nfs/dbraw/zinc/25/90/05/1179259005.db2.gz QFLJZUZPVKABJZ-CZUORRHYSA-N 0 3 314.385 3.072 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC001343446047 1179276907 /nfs/dbraw/zinc/27/69/07/1179276907.db2.gz YZPYIHAULLRVGR-MAUKXSAKSA-N 0 3 315.461 3.148 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001343854334 1179338817 /nfs/dbraw/zinc/33/88/17/1179338817.db2.gz YHTQTUVLXCPSDT-OPRDCNLKSA-N 0 3 305.790 3.115 20 30 DGEDHN CC(C)COc1ccccc1CNCCNc1ncccc1C#N ZINC001344126285 1179382165 /nfs/dbraw/zinc/38/21/65/1179382165.db2.gz OJFLBVFINIUBPU-UHFFFAOYSA-N 0 3 324.428 3.190 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC001344322193 1179412470 /nfs/dbraw/zinc/41/24/70/1179412470.db2.gz JNMGLSOFZFXVOV-JGVFFNPUSA-N 0 3 320.607 3.224 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC001344322039 1179413282 /nfs/dbraw/zinc/41/32/82/1179413282.db2.gz GQUIXYLMISKMPX-BXKDBHETSA-N 0 3 300.189 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1sc(C)nc1CC(C)C ZINC001344325646 1179414243 /nfs/dbraw/zinc/41/42/43/1179414243.db2.gz ADXYEIZWWLOBLD-LBPRGKRZSA-N 0 3 316.430 3.357 20 30 DGEDHN CCOCCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001344985312 1179506870 /nfs/dbraw/zinc/50/68/70/1179506870.db2.gz VPCCZWYRMGMLQX-GFCCVEGCSA-N 0 3 308.328 3.133 20 30 DGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C(F)=C1CCC1 ZINC001346109523 1179655559 /nfs/dbraw/zinc/65/55/59/1179655559.db2.gz FGQJYCSHJDRIQS-SNVBAGLBSA-N 0 3 306.724 3.395 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(Cl)c(F)c1)C1CC1 ZINC001479876243 1179747071 /nfs/dbraw/zinc/74/70/71/1179747071.db2.gz LCBWMTOMPJDKBW-UHFFFAOYSA-N 0 3 322.811 3.087 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCCOC1)c1nc2c(cccc2Cl)[nH]1 ZINC001347392328 1179802640 /nfs/dbraw/zinc/80/26/40/1179802640.db2.gz SRYYTUUSMQDCLJ-GHMZBOCLSA-N 0 3 317.776 3.209 20 30 DGEDHN C#CC[C@H](CCOC)NCc1ccc(C)cc1Br ZINC001348111138 1179829998 /nfs/dbraw/zinc/82/99/98/1179829998.db2.gz RSGGFMUOCPGSQU-CQSZACIVSA-N 0 3 310.235 3.276 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602834460 1192999240 /nfs/dbraw/zinc/99/92/40/1192999240.db2.gz UOIZWFOFLUPMLG-ZDUSSCGKSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC001602818145 1192998874 /nfs/dbraw/zinc/99/88/74/1192998874.db2.gz DITRJNTYVLYNSB-UHFFFAOYSA-N 0 3 317.824 3.499 20 30 DGEDHN C=CCC1([NH2+]Cc2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC001602818145 1192998878 /nfs/dbraw/zinc/99/88/78/1192998878.db2.gz DITRJNTYVLYNSB-UHFFFAOYSA-N 0 3 317.824 3.499 20 30 DGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602834460 1192999241 /nfs/dbraw/zinc/99/92/41/1192999241.db2.gz UOIZWFOFLUPMLG-ZDUSSCGKSA-N 0 3 315.421 3.100 20 30 DGEDHN C=CCC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001602833659 1192999548 /nfs/dbraw/zinc/99/95/48/1192999548.db2.gz UEUUSHQCVFYKDV-OAHLLOKOSA-N 0 3 317.824 3.355 20 30 DGEDHN C=CCC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001602833659 1192999551 /nfs/dbraw/zinc/99/95/51/1192999551.db2.gz UEUUSHQCVFYKDV-OAHLLOKOSA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[N@H+](CCc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602852527 1193000165 /nfs/dbraw/zinc/00/01/65/1193000165.db2.gz VCBXIXVDHBITGE-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602852527 1193000172 /nfs/dbraw/zinc/00/01/72/1193000172.db2.gz VCBXIXVDHBITGE-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@H+](CCc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602852527 1193000175 /nfs/dbraw/zinc/00/01/75/1193000175.db2.gz VCBXIXVDHBITGE-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602852527 1193000177 /nfs/dbraw/zinc/00/01/77/1193000177.db2.gz VCBXIXVDHBITGE-UHFFFAOYSA-N 0 3 319.412 3.097 20 30 DGEDHN N#Cc1ccccc1N1CCCN(CCCC(F)(F)F)CC1 ZINC001351927071 1180263307 /nfs/dbraw/zinc/26/33/07/1180263307.db2.gz OGAZPLIWDWNEBN-UHFFFAOYSA-N 0 3 311.351 3.413 20 30 DGEDHN C=CCCC(=O)NCC1CC(N[C@H](C)c2ccccc2F)C1 ZINC001100169168 1180417253 /nfs/dbraw/zinc/41/72/53/1180417253.db2.gz HWPVWWLOFCENQQ-WLYUNCDWSA-N 0 3 304.409 3.337 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC001353102806 1180462842 /nfs/dbraw/zinc/46/28/42/1180462842.db2.gz SBWFKSDKHWBRGJ-CZUORRHYSA-N 0 3 314.433 3.060 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC001353102807 1180463396 /nfs/dbraw/zinc/46/33/96/1180463396.db2.gz SBWFKSDKHWBRGJ-XJKSGUPXSA-N 0 3 314.433 3.060 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001480447520 1180467044 /nfs/dbraw/zinc/46/70/44/1180467044.db2.gz PXGOKIRPXYFDDD-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(OC(C)C)CC1 ZINC001353211678 1180496532 /nfs/dbraw/zinc/49/65/32/1180496532.db2.gz IQOFFEIOJIBQOS-KRWDZBQOSA-N 0 3 312.498 3.480 20 30 DGEDHN CCC[C@@H](CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001353929296 1180685742 /nfs/dbraw/zinc/68/57/42/1180685742.db2.gz DZWUUZCZLWGFQG-GOSISDBHSA-N 0 3 315.461 3.275 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001354381101 1180782072 /nfs/dbraw/zinc/78/20/72/1180782072.db2.gz LVSVIBNVZXCALG-WMLDXEAASA-N 0 3 322.399 3.354 20 30 DGEDHN C=CCCCC(=O)NCC1CC(NCc2cccc(F)c2F)C1 ZINC001100623504 1180860404 /nfs/dbraw/zinc/86/04/04/1180860404.db2.gz RGJCBBINRMJYFP-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccc(CC)cc2)C1 ZINC001100716727 1180961377 /nfs/dbraw/zinc/96/13/77/1180961377.db2.gz NWFIKKVQAYFBHD-UHFFFAOYSA-N 0 3 320.864 3.028 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001100734172 1180984009 /nfs/dbraw/zinc/98/40/09/1180984009.db2.gz PJTNHGXEBBOFKN-XGNXJENSSA-N 0 3 300.874 3.296 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccc1)c1cccnc1 ZINC001356585355 1181220026 /nfs/dbraw/zinc/22/00/26/1181220026.db2.gz LLQBJNTVNLGVTM-QZTJIDSGSA-N 0 3 309.413 3.061 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC001357504114 1181402924 /nfs/dbraw/zinc/40/29/24/1181402924.db2.gz XTGKIGIWJNDBPC-QZTJIDSGSA-N 0 3 324.509 3.482 20 30 DGEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1cccc(F)n1 ZINC001357689035 1181418695 /nfs/dbraw/zinc/41/86/95/1181418695.db2.gz IZARMFJWZXLXCA-BDAKNGLRSA-N 0 3 301.148 3.371 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(CCc2ccccc2)CC1 ZINC001357740921 1181423811 /nfs/dbraw/zinc/42/38/11/1181423811.db2.gz HXDRKSCAKOHXDD-KRWDZBQOSA-N 0 3 320.864 3.328 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1nc(Cl)ccc1Cl ZINC001473432626 1181527061 /nfs/dbraw/zinc/52/70/61/1181527061.db2.gz VHJJHURFNHTZBF-UHFFFAOYSA-N 0 3 302.249 3.328 20 30 DGEDHN CCCCC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001480718459 1181686637 /nfs/dbraw/zinc/68/66/37/1181686637.db2.gz KKVDOGXQTSQOLY-SFHVURJKSA-N 0 3 313.445 3.171 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001480725929 1181687792 /nfs/dbraw/zinc/68/77/92/1181687792.db2.gz TWQSQDKZFDWHEF-QGZVFWFLSA-N 0 3 318.486 3.283 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001480734863 1181691222 /nfs/dbraw/zinc/69/12/22/1181691222.db2.gz NSAYCTYHEOTAJS-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN CCN(CCNC(=O)C#CC(C)C)Cc1cc2ccccc2o1 ZINC001492954102 1181749362 /nfs/dbraw/zinc/74/93/62/1181749362.db2.gz ZNYNPTWPYZTPJS-UHFFFAOYSA-N 0 3 312.413 3.030 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CCCc2ccccc21 ZINC001439623592 1182010091 /nfs/dbraw/zinc/01/00/91/1182010091.db2.gz HYHNVZGAKMLHLY-PMACEKPBSA-N 0 3 324.468 3.399 20 30 DGEDHN CCC(C#N)C(=O)N=c1sccn1Cc1ccccc1Cl ZINC001443288644 1182098287 /nfs/dbraw/zinc/09/82/87/1182098287.db2.gz JWYRWZHZRCTDPC-LLVKDONJSA-N 0 3 319.817 3.228 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001448875027 1182216393 /nfs/dbraw/zinc/21/63/93/1182216393.db2.gz VLIQSRKHAFMOAI-MRXNPFEDSA-N 0 3 320.452 3.361 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1sccc1C(F)F ZINC001448872425 1182216912 /nfs/dbraw/zinc/21/69/12/1182216912.db2.gz JRFCTGWUQADGMM-UHFFFAOYSA-N 0 3 302.390 3.266 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001448882094 1182217325 /nfs/dbraw/zinc/21/73/25/1182217325.db2.gz IOPSAISGVBANNM-UHFFFAOYSA-N 0 3 313.445 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001450792333 1182258124 /nfs/dbraw/zinc/25/81/24/1182258124.db2.gz MIKOMXINZFGBCU-RDJZCZTQSA-N 0 3 300.446 3.368 20 30 DGEDHN C=CCCN(C)CC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC001459962309 1182633736 /nfs/dbraw/zinc/63/37/36/1182633736.db2.gz SKWFMRHXSVPQBC-UHFFFAOYSA-N 0 3 304.478 3.169 20 30 DGEDHN C#C[C@H](NCc1ccc(N2CCCCC2)c(C)c1)[C@H]1CCCO1 ZINC001459982867 1182636862 /nfs/dbraw/zinc/63/68/62/1182636862.db2.gz JHMPGXKHUQSENO-AZUAARDMSA-N 0 3 312.457 3.256 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC001460290627 1182673283 /nfs/dbraw/zinc/67/32/83/1182673283.db2.gz SZPKWUWMEKRHPQ-KZNAEPCWSA-N 0 3 324.468 3.478 20 30 DGEDHN C#CCN(CCOc1cc(F)cc(Br)c1)C(C)C ZINC001460817455 1182725951 /nfs/dbraw/zinc/72/59/51/1182725951.db2.gz PAYKOGLYEYURMC-UHFFFAOYSA-N 0 3 314.198 3.311 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H]2CCc3cccc4cccc2c43)C1=O ZINC001460811457 1182726682 /nfs/dbraw/zinc/72/66/82/1182726682.db2.gz IGLCSPSGQAZFPH-MSOLQXFVSA-N 0 3 306.409 3.204 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc2cccnc2c1 ZINC001461685003 1182842538 /nfs/dbraw/zinc/84/25/38/1182842538.db2.gz UGLNPYZVLUZGAF-UHFFFAOYSA-N 0 3 316.408 3.462 20 30 DGEDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCC#Cc1ccccc1 ZINC001462014651 1182895543 /nfs/dbraw/zinc/89/55/43/1182895543.db2.gz QRPQRBMPEYOGGU-UHFFFAOYSA-N 0 3 314.772 3.432 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cc(-c2ccccn2)n[nH]1 ZINC001462515771 1182962804 /nfs/dbraw/zinc/96/28/04/1182962804.db2.gz BNFCVPQXUFKXNM-UHFFFAOYSA-N 0 3 317.396 3.018 20 30 DGEDHN N#Cc1cccc(CNCCc2sccc2Br)n1 ZINC001462542680 1182966131 /nfs/dbraw/zinc/96/61/31/1182966131.db2.gz LYECLNKWIFTWLX-UHFFFAOYSA-N 0 3 322.231 3.110 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1cccc(F)c1 ZINC001467727505 1183284669 /nfs/dbraw/zinc/28/46/69/1183284669.db2.gz JNWCYKUOQDMVET-FYWRMAATSA-N 0 3 304.409 3.195 20 30 DGEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001470071047 1183459759 /nfs/dbraw/zinc/45/97/59/1183459759.db2.gz PALFXVVPQBMRLD-INIZCTEOSA-N 0 3 309.498 3.495 20 30 DGEDHN C=CCN(C)CCN(CC)c1ncnc2cc(Cl)ccc21 ZINC001472817813 1183685788 /nfs/dbraw/zinc/68/57/88/1183685788.db2.gz LCDVXRQOFFJGNI-UHFFFAOYSA-N 0 3 304.825 3.227 20 30 DGEDHN Cc1ccc(C#N)c(N2CCN[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC001472905870 1183698878 /nfs/dbraw/zinc/69/88/78/1183698878.db2.gz NZHNXKUXRVUMES-MRXNPFEDSA-N 0 3 312.804 3.066 20 30 DGEDHN CCC[C@@H](C)CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC001473106779 1183716346 /nfs/dbraw/zinc/71/63/46/1183716346.db2.gz ZDKAPWFIBRGNKR-MRXNPFEDSA-N 0 3 300.450 3.292 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)c(F)c1 ZINC001473310123 1183741573 /nfs/dbraw/zinc/74/15/73/1183741573.db2.gz VJQGHDSKGPQPII-XJKSGUPXSA-N 0 3 317.408 3.126 20 30 DGEDHN CCc1ccccc1CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001473726117 1183794468 /nfs/dbraw/zinc/79/44/68/1183794468.db2.gz SOPNZQPECMMXLE-UHFFFAOYSA-N 0 3 319.452 3.485 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001473885191 1183819174 /nfs/dbraw/zinc/81/91/74/1183819174.db2.gz SBTYILNPEVJECY-SJORKVTESA-N 0 3 300.402 3.100 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCCC2 ZINC001474191603 1183880355 /nfs/dbraw/zinc/88/03/55/1183880355.db2.gz XARRHJYFABNNRC-IXDOHACOSA-N 0 3 302.462 3.208 20 30 DGEDHN CSC(C)(C)CCN1CCN(c2ccccc2C#N)CC1 ZINC001474414065 1183916748 /nfs/dbraw/zinc/91/67/48/1183916748.db2.gz LWAGMMCXRXGTEI-UHFFFAOYSA-N 0 3 303.475 3.212 20 30 DGEDHN C#C[C@H](NCc1c[nH]c(C(=O)OCc2ccccc2)c1)C(C)C ZINC001474507878 1183933032 /nfs/dbraw/zinc/93/30/32/1183933032.db2.gz FRTUDLCCRAOWQY-KRWDZBQOSA-N 0 3 310.397 3.119 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NCc1cccc(F)c1C#N ZINC001474563620 1183941167 /nfs/dbraw/zinc/94/11/67/1183941167.db2.gz VLURQZQXZBPDHT-OAHLLOKOSA-N 0 3 311.404 3.307 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1CCC(C)C ZINC001476057450 1184027608 /nfs/dbraw/zinc/02/76/08/1184027608.db2.gz LAJGRTYZBNHUBG-UHFFFAOYSA-N 0 3 315.461 3.352 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001477471626 1184092174 /nfs/dbraw/zinc/09/21/74/1184092174.db2.gz LAUUQMDNFSNBJT-KRWDZBQOSA-N 0 3 303.450 3.117 20 30 DGEDHN C=C(C)CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001477626847 1184102048 /nfs/dbraw/zinc/10/20/48/1184102048.db2.gz CAMPFXXOXDRJTL-UHFFFAOYSA-N 0 3 315.461 3.089 20 30 DGEDHN C=C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC001478767561 1184174475 /nfs/dbraw/zinc/17/44/75/1184174475.db2.gz ZREJAEAFTBCZRB-FUHWJXTLSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001479248431 1184217317 /nfs/dbraw/zinc/21/73/17/1184217317.db2.gz AIOIKZATHNCYFV-DZGCQCFKSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccc(C)o1 ZINC001479252550 1184217950 /nfs/dbraw/zinc/21/79/50/1184217950.db2.gz NGVMOCPOCFWBLU-CVEARBPZSA-N 0 3 304.434 3.190 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCCOC)CCCCC1 ZINC001479272113 1184223413 /nfs/dbraw/zinc/22/34/13/1184223413.db2.gz RTMAEDFGHILWOO-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001479322971 1184233652 /nfs/dbraw/zinc/23/36/52/1184233652.db2.gz VKORMACBHHEJNA-FZNQNYSPSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001479464117 1184255424 /nfs/dbraw/zinc/25/54/24/1184255424.db2.gz FLJHXMGFHYJGGJ-HNKHHVNMSA-N 0 3 310.869 3.050 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCC3(C)CC3)C(C)(C)[C@H]21 ZINC001479615659 1184276684 /nfs/dbraw/zinc/27/66/84/1184276684.db2.gz XDUMKQSEZQIWAB-NJAFHUGGSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)CC(C)(C)C1 ZINC001479748336 1184313591 /nfs/dbraw/zinc/31/35/91/1184313591.db2.gz SPVCVRCUYCSHLW-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001479760188 1184315851 /nfs/dbraw/zinc/31/58/51/1184315851.db2.gz RHUJFTRCCXDDKI-UHFFFAOYSA-N 0 3 318.486 3.303 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C)c(Cl)c3F)C2)C1 ZINC001479758921 1184316885 /nfs/dbraw/zinc/31/68/85/1184316885.db2.gz FELAFPGEOBXJJB-UHFFFAOYSA-N 0 3 322.811 3.121 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(C)Cc1ccc(C)nc1C ZINC001479788483 1184326721 /nfs/dbraw/zinc/32/67/21/1184326721.db2.gz UDHWHUGIZFZSCE-UHFFFAOYSA-N 0 3 317.477 3.239 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccns1 ZINC001479825333 1184339224 /nfs/dbraw/zinc/33/92/24/1184339224.db2.gz PJVXQXWAWFRGRK-GOEBONIOSA-N 0 3 321.490 3.359 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1cc(C)co1 ZINC001479852096 1184350451 /nfs/dbraw/zinc/35/04/51/1184350451.db2.gz WXXCGAVLIAUJRZ-UHFFFAOYSA-N 0 3 324.424 3.082 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)Cc1cnccc1C ZINC001479851410 1184350862 /nfs/dbraw/zinc/35/08/62/1184350862.db2.gz WOJWOEJJYAYPRF-UHFFFAOYSA-N 0 3 317.477 3.321 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001479950623 1184386636 /nfs/dbraw/zinc/38/66/36/1184386636.db2.gz CPAAOAOUHPHWSJ-FQEVSTJZSA-N 0 3 324.468 3.059 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001479955031 1184388383 /nfs/dbraw/zinc/38/83/83/1184388383.db2.gz FVBDFHXUJORBGR-CQSZACIVSA-N 0 3 321.490 3.256 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001479963031 1184395305 /nfs/dbraw/zinc/39/53/05/1184395305.db2.gz KSCISVWUMWMLPO-UYAOXDASSA-N 0 3 314.473 3.330 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001479986132 1184403889 /nfs/dbraw/zinc/40/38/89/1184403889.db2.gz FBMMOIQBTWANQZ-DLBZAZTESA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001479993352 1184406254 /nfs/dbraw/zinc/40/62/54/1184406254.db2.gz OQGIRJCTDOEIDT-NXHRZFHOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC001479993539 1184406417 /nfs/dbraw/zinc/40/64/17/1184406417.db2.gz SDRQOBADUUWMLW-ROUUACIJSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001480095613 1184434130 /nfs/dbraw/zinc/43/41/30/1184434130.db2.gz TVEOCGRPCDESEY-YESZJQIVSA-N 0 3 302.462 3.066 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCC(C)C ZINC001480103145 1184435799 /nfs/dbraw/zinc/43/57/99/1184435799.db2.gz IKKPSNKJYFPHIK-KURKYZTESA-N 0 3 322.493 3.079 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001480217733 1184462002 /nfs/dbraw/zinc/46/20/02/1184462002.db2.gz DGTRHTNTAYHCKT-HRCADAONSA-N 0 3 316.420 3.317 20 30 DGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCN(CC#CC)C1)c1ccccc1 ZINC001480269951 1184477746 /nfs/dbraw/zinc/47/77/46/1184477746.db2.gz RPSGQPBTGARNRU-UYAOXDASSA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(CC)CCCCC1 ZINC001480331430 1184496073 /nfs/dbraw/zinc/49/60/73/1184496073.db2.gz LQNCRSNLBPNWSW-QGZVFWFLSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCC1(C(=O)N2CCCC[C@H]2CNC[C@@H](F)CC)CCC1 ZINC001480358763 1184504664 /nfs/dbraw/zinc/50/46/64/1184504664.db2.gz FHIMNSMUOQGJCB-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)NCc1cc2ccccc2o1 ZINC001480458181 1184532736 /nfs/dbraw/zinc/53/27/36/1184532736.db2.gz BYDUKVNSNWQHTB-AWEZNQCLSA-N 0 3 312.413 3.077 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480560863 1184547993 /nfs/dbraw/zinc/54/79/93/1184547993.db2.gz GIVDJMPZLUXNGK-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001480614318 1184558996 /nfs/dbraw/zinc/55/89/96/1184558996.db2.gz PFZMQHMEDZLIGY-OAHLLOKOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC001480698878 1184579395 /nfs/dbraw/zinc/57/93/95/1184579395.db2.gz UEROOPUIAINLKW-GJZGRUSLSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC001480698880 1184580105 /nfs/dbraw/zinc/58/01/05/1184580105.db2.gz UEROOPUIAINLKW-LSDHHAIUSA-N 0 3 321.490 3.325 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC001480740941 1184596487 /nfs/dbraw/zinc/59/64/87/1184596487.db2.gz IFRIWKNSTXZXDI-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001480811681 1184614686 /nfs/dbraw/zinc/61/46/86/1184614686.db2.gz BNKQSAMBIXUSRE-HOCLYGCPSA-N 0 3 322.880 3.411 20 30 DGEDHN C=C[C@@H](C(=O)NCC[C@@H](C)NCC(=C)Cl)c1ccccc1 ZINC001480814026 1184615336 /nfs/dbraw/zinc/61/53/36/1184615336.db2.gz ROGHZXIXPCHTQD-GDBMZVCRSA-N 0 3 306.837 3.193 20 30 DGEDHN C/C=C(/C)C(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001480821379 1184619976 /nfs/dbraw/zinc/61/99/76/1184619976.db2.gz WUAJWBCCBPMHQF-FQXARDAWSA-N 0 3 324.468 3.365 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1ccc(CC)cc1 ZINC001493098028 1184647492 /nfs/dbraw/zinc/64/74/92/1184647492.db2.gz HZVGASVRVRMKBY-LJQANCHMSA-N 0 3 312.457 3.133 20 30 DGEDHN Cc1ccc(CN2CCC[C@H]2CNC(=O)C#CC(C)C)c(C)c1 ZINC001493095089 1184648199 /nfs/dbraw/zinc/64/81/99/1184648199.db2.gz BRWVAOAADCTLIE-IBGZPJMESA-N 0 3 312.457 3.043 20 30 DGEDHN C=CCN(CCNC(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC001493376416 1184696950 /nfs/dbraw/zinc/69/69/50/1184696950.db2.gz CBHKVAKEKAZHDK-UHFFFAOYSA-N 0 3 319.257 3.435 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)c2c1CCC2)C1CC1 ZINC001493448494 1184708820 /nfs/dbraw/zinc/70/88/20/1184708820.db2.gz BYICRDOPYIVSGC-UHFFFAOYSA-N 0 3 312.457 3.254 20 30 DGEDHN C=CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C)c1ccccc1 ZINC001493928914 1184765690 /nfs/dbraw/zinc/76/56/90/1184765690.db2.gz OXJJCIORRUAFEJ-OTWHNJEPSA-N 0 3 312.457 3.430 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001493968954 1184779902 /nfs/dbraw/zinc/77/99/02/1184779902.db2.gz NIYSCTSJGLPUGY-IAGOWNOFSA-N 0 3 316.445 3.028 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001493972479 1184780512 /nfs/dbraw/zinc/78/05/12/1184780512.db2.gz VHLCNZOGUHPRLR-INIZCTEOSA-N 0 3 315.461 3.006 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(CCC)C(=O)c2nccs2)C1 ZINC001493971677 1184780706 /nfs/dbraw/zinc/78/07/06/1184780706.db2.gz PELNLGUFABMETF-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2cccc(F)c2)C1 ZINC001493973329 1184780789 /nfs/dbraw/zinc/78/07/89/1184780789.db2.gz IZTJLEUEDMFWTK-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@@H](CN(C)CCF)C2)CCCCC1 ZINC001494161928 1184820192 /nfs/dbraw/zinc/82/01/92/1184820192.db2.gz GXAXULYVSLMNCX-INIZCTEOSA-N 0 3 310.457 3.263 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC2 ZINC001494683845 1184905706 /nfs/dbraw/zinc/90/57/06/1184905706.db2.gz NVLIXKFMBMFBHE-OALUTQOASA-N 0 3 310.441 3.040 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCC)c1ccccc1 ZINC001494686374 1184905742 /nfs/dbraw/zinc/90/57/42/1184905742.db2.gz UMDYFAZUZDWYJH-GBESFXJTSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C=C)CCCCC1 ZINC001494678095 1184906512 /nfs/dbraw/zinc/90/65/12/1184906512.db2.gz GTQQRRZDNYATHH-IRXDYDNUSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001494786761 1184927204 /nfs/dbraw/zinc/92/72/04/1184927204.db2.gz SWIWHNRRPZNNIQ-GXTWGEPZSA-N 0 3 319.474 3.179 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCCC2CCCC2)C1 ZINC001494923818 1184963795 /nfs/dbraw/zinc/96/37/95/1184963795.db2.gz IESLLGCQRKAFSY-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC001609052324 1193322414 /nfs/dbraw/zinc/32/24/14/1193322414.db2.gz XRMZCJJBISQCTB-GOSISDBHSA-N 0 3 317.396 3.157 20 30 DGEDHN C=C(C[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC001609052324 1193322417 /nfs/dbraw/zinc/32/24/17/1193322417.db2.gz XRMZCJJBISQCTB-GOSISDBHSA-N 0 3 317.396 3.157 20 30 DGEDHN O=C(CC1CCC1)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001495141453 1185003574 /nfs/dbraw/zinc/00/35/74/1185003574.db2.gz ZIQPHSXPOYNZSL-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](NCc2conc2CC)CC1 ZINC001495466912 1185059384 /nfs/dbraw/zinc/05/93/84/1185059384.db2.gz NXGYNRJJFAPRFV-WKILWMFISA-N 0 3 319.449 3.110 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001495546383 1185071989 /nfs/dbraw/zinc/07/19/89/1185071989.db2.gz NYXFRNVJKVWINN-OAHLLOKOSA-N 0 3 308.372 3.012 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001495549265 1185072727 /nfs/dbraw/zinc/07/27/27/1185072727.db2.gz WAVPZUGZQNTOES-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccoc1CCC)C(C)C ZINC001496630225 1185223039 /nfs/dbraw/zinc/22/30/39/1185223039.db2.gz VMBGZKVANAHQKW-AWEZNQCLSA-N 0 3 312.841 3.329 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001496748541 1185239733 /nfs/dbraw/zinc/23/97/33/1185239733.db2.gz PEPKQUNDBKBVDL-JKSUJKDBSA-N 0 3 322.399 3.035 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1c[nH]nc1C1CCCCC1 ZINC001496817634 1185252194 /nfs/dbraw/zinc/25/21/94/1185252194.db2.gz CUFGFDVGQDRSIW-UHFFFAOYSA-N 0 3 318.465 3.037 20 30 DGEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@@H]2CCCCO2)CCCC1 ZINC001496848215 1185257933 /nfs/dbraw/zinc/25/79/33/1185257933.db2.gz ZWILZBLPGOXUNS-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C(C)(C)c1ccccc1C ZINC001496847279 1185258218 /nfs/dbraw/zinc/25/82/18/1185258218.db2.gz PVJVLILEHDZLRX-UHFFFAOYSA-N 0 3 302.462 3.239 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)CC(C)=C(C)C ZINC001497246817 1185302531 /nfs/dbraw/zinc/30/25/31/1185302531.db2.gz FQWHTKYGJKEYBS-ZDUSSCGKSA-N 0 3 317.271 3.126 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)c(C)s1 ZINC001497319078 1185314928 /nfs/dbraw/zinc/31/49/28/1185314928.db2.gz MWWOUQQCRZHTLU-NSHDSACASA-N 0 3 300.855 3.215 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C=C1CCCCC1 ZINC001497794234 1185392669 /nfs/dbraw/zinc/39/26/69/1185392669.db2.gz DBAYENPFZAWHEQ-CYBMUJFWSA-N 0 3 317.458 3.105 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001497895522 1185406573 /nfs/dbraw/zinc/40/65/73/1185406573.db2.gz ZVUDBGSRRPFHIT-CQSZACIVSA-N 0 3 300.402 3.383 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001498425953 1185491155 /nfs/dbraw/zinc/49/11/55/1185491155.db2.gz AIYNYBAQGSSAFN-CQSZACIVSA-N 0 3 300.402 3.286 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccn(C(C)C)c1C ZINC001498599768 1185522249 /nfs/dbraw/zinc/52/22/49/1185522249.db2.gz CIHIGSDEVCWTFE-UHFFFAOYSA-N 0 3 311.857 3.182 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H]1CCCC[C@@H]1C ZINC001498661812 1185530505 /nfs/dbraw/zinc/53/05/05/1185530505.db2.gz ZQVVMMOJBLIDSS-DZGCQCFKSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nocc2C)[C@@H](CC)C1 ZINC001498889544 1185563655 /nfs/dbraw/zinc/56/36/55/1185563655.db2.gz LKJKGOYRESHDJD-JKSUJKDBSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001499063090 1185603980 /nfs/dbraw/zinc/60/39/80/1185603980.db2.gz NNJHDODVAZRUHY-AWEZNQCLSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)Cc1ccccc1 ZINC001499095387 1185610494 /nfs/dbraw/zinc/61/04/94/1185610494.db2.gz LJIXWQBCCAYLHG-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001499525961 1185662701 /nfs/dbraw/zinc/66/27/01/1185662701.db2.gz LRJJGGRLXCXRBU-AWEZNQCLSA-N 0 3 324.896 3.488 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001499604328 1185675854 /nfs/dbraw/zinc/67/58/54/1185675854.db2.gz TWFBOVACFFWXRL-MAUKXSAKSA-N 0 3 310.457 3.261 20 30 DGEDHN CC(C)CCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499868075 1185709709 /nfs/dbraw/zinc/70/97/09/1185709709.db2.gz DHKFCGFGCCTNKH-IBGZPJMESA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC001500002907 1185729544 /nfs/dbraw/zinc/72/95/44/1185729544.db2.gz NUASIMVZBVYLLX-QGZVFWFLSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001500071072 1185738803 /nfs/dbraw/zinc/73/88/03/1185738803.db2.gz RZTRBBMKLMHACY-KRWDZBQOSA-N 0 3 316.445 3.237 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)C2CCCCCCC2)C1 ZINC001500241158 1185762612 /nfs/dbraw/zinc/76/26/12/1185762612.db2.gz KXUBZLRCQHLWTA-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001500293706 1185772048 /nfs/dbraw/zinc/77/20/48/1185772048.db2.gz ZDUSSHBRSKIJLO-IIBWNOEZSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccc(Cl)cc2)C1 ZINC001500549946 1185821462 /nfs/dbraw/zinc/82/14/62/1185821462.db2.gz HVPFSEZAESOOQG-SFHVURJKSA-N 0 3 320.864 3.287 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ccccn1)c1ccccc1CC ZINC001501015915 1185855911 /nfs/dbraw/zinc/85/59/11/1185855911.db2.gz PKFOUCHNACVUKZ-LJQANCHMSA-N 0 3 323.440 3.281 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](C)CCC)C2)CC1 ZINC001501016566 1185856522 /nfs/dbraw/zinc/85/65/22/1185856522.db2.gz YGMMUROUWNLYFL-WMZOPIPTSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H](CC)SC ZINC001501660851 1185918193 /nfs/dbraw/zinc/91/81/93/1185918193.db2.gz CZOKJYMLBKPTKD-KRWDZBQOSA-N 0 3 320.502 3.452 20 30 DGEDHN CCCCCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001501913802 1185937706 /nfs/dbraw/zinc/93/77/06/1185937706.db2.gz CCXZBNNDISFORR-UHFFFAOYSA-N 0 3 319.474 3.329 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001502373789 1185976048 /nfs/dbraw/zinc/97/60/48/1185976048.db2.gz WUSLQMZIHFKOKX-QGZVFWFLSA-N 0 3 314.473 3.156 20 30 DGEDHN C=CC1(CC(=O)N(C)CCCN(C)CC#CC)CCCCC1 ZINC001502382546 1185977653 /nfs/dbraw/zinc/97/76/53/1185977653.db2.gz TUYMQQYNIYOVJD-UHFFFAOYSA-N 0 3 304.478 3.317 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)C1CCC1 ZINC001502519180 1185991054 /nfs/dbraw/zinc/99/10/54/1185991054.db2.gz HFUPOLVSXHUSOY-IBGZPJMESA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H](C)SC)cc2C1 ZINC001502646916 1185999064 /nfs/dbraw/zinc/99/90/64/1185999064.db2.gz CSYFTAAIPDGZNG-CQSZACIVSA-N 0 3 318.486 3.336 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001502967763 1186032157 /nfs/dbraw/zinc/03/21/57/1186032157.db2.gz JLBAAWZXASGHEA-TZMCWYRMSA-N 0 3 321.490 3.133 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CC(C2CCC2)C2CCC2)C[C@H]1C ZINC001502985243 1186033499 /nfs/dbraw/zinc/03/34/99/1186033499.db2.gz FFVKJIXUXRLPMF-QAPCUYQASA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC(C2CCC2)C2CCC2)C[C@H]1C ZINC001502985241 1186034350 /nfs/dbraw/zinc/03/43/50/1186034350.db2.gz FFVKJIXUXRLPMF-CRAIPNDOSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ccncc1Cl ZINC001503413997 1186044759 /nfs/dbraw/zinc/04/47/59/1186044759.db2.gz FTPOMVUNAMIXQW-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)cc1F ZINC001505601843 1186111694 /nfs/dbraw/zinc/11/16/94/1186111694.db2.gz BBPZVERBLWHSDQ-OLZOCXBDSA-N 0 3 324.827 3.121 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ns1 ZINC001505613441 1186114210 /nfs/dbraw/zinc/11/42/10/1186114210.db2.gz IDUMIIIJVGTIEL-STQMWFEESA-N 0 3 309.479 3.037 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)CCc1csc(C)n1 ZINC001506009650 1186180231 /nfs/dbraw/zinc/18/02/31/1186180231.db2.gz GKMYKOCMCULBNV-ZDUSSCGKSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001506579199 1186255964 /nfs/dbraw/zinc/25/59/64/1186255964.db2.gz MDAQAELWYBDUBR-IRXDYDNUSA-N 0 3 316.445 3.001 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001506869598 1186301185 /nfs/dbraw/zinc/30/11/85/1186301185.db2.gz ZZAKXFQQHIWWSH-GJJHYRHESA-N 0 3 318.505 3.108 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001506906185 1186308169 /nfs/dbraw/zinc/30/81/69/1186308169.db2.gz IBTZTIYARFCTPX-KKUMJFAQSA-N 0 3 312.885 3.440 20 30 DGEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)C1(C)CCC1 ZINC001506934005 1186317043 /nfs/dbraw/zinc/31/70/43/1186317043.db2.gz RAUJBXDTHBTGFF-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCC(=O)N1CCC(N(C)CC#Cc2ccccc2Cl)CC1 ZINC001506948814 1186320993 /nfs/dbraw/zinc/32/09/93/1186320993.db2.gz GXYGBKPGAZCRPK-UHFFFAOYSA-N 0 3 318.848 3.024 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001507110531 1186362191 /nfs/dbraw/zinc/36/21/91/1186362191.db2.gz NHIPIEMZZFVWRU-GFCCVEGCSA-N 0 3 310.388 3.114 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2c(C)nsc2C)C1 ZINC001507120814 1186365577 /nfs/dbraw/zinc/36/55/77/1186365577.db2.gz ONECXGRMCQXUOL-LBPRGKRZSA-N 0 3 321.490 3.053 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C1CC(C)(C)C1 ZINC001507278746 1186379553 /nfs/dbraw/zinc/37/95/53/1186379553.db2.gz RFQUMHAABJOZLZ-APWZRJJASA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3cc2F)C1 ZINC001507322293 1186390056 /nfs/dbraw/zinc/39/00/56/1186390056.db2.gz YMQPJUYKHZTAOP-PBHICJAKSA-N 0 3 324.399 3.195 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC001507383060 1186411086 /nfs/dbraw/zinc/41/10/86/1186411086.db2.gz SJCKCXIWEJAKBB-CABCVRRESA-N 0 3 321.490 3.472 20 30 DGEDHN C#CCCCC(=O)N(CCN(C)Cc1ccccc1)C(C)C ZINC001507788816 1186445023 /nfs/dbraw/zinc/44/50/23/1186445023.db2.gz XAOOHGMBBWUHLP-UHFFFAOYSA-N 0 3 300.446 3.159 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc2ncccc2o1)C(C)C ZINC001507820225 1186446442 /nfs/dbraw/zinc/44/64/42/1186446442.db2.gz XMINXYPICNCRTR-UHFFFAOYSA-N 0 3 315.417 3.186 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)OC1CCCCCC1)C(C)C ZINC001507834314 1186449171 /nfs/dbraw/zinc/44/91/71/1186449171.db2.gz QDYNPFQELYIOTA-KRWDZBQOSA-N 0 3 324.509 3.469 20 30 DGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC001507855706 1186451147 /nfs/dbraw/zinc/45/11/47/1186451147.db2.gz SKSPSEVZGLBVEC-ZWKOTPCHSA-N 0 3 324.509 3.183 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ncccc1C)C(C)(C)C ZINC001507947887 1186461182 /nfs/dbraw/zinc/46/11/82/1186461182.db2.gz DVJXZNNXQLVHDH-KRWDZBQOSA-N 0 3 317.477 3.367 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC2CC(C)(C)C2)CC1 ZINC001508064351 1186475501 /nfs/dbraw/zinc/47/55/01/1186475501.db2.gz SGHVOWRQIREVKJ-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001508068423 1186476727 /nfs/dbraw/zinc/47/67/27/1186476727.db2.gz MYIJGVMVPJLSLF-OAHLLOKOSA-N 0 3 318.505 3.299 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)CCCCCC)CC2)CC1 ZINC001508162520 1186487065 /nfs/dbraw/zinc/48/70/65/1186487065.db2.gz NUKKFWTVZXIZDA-UHFFFAOYSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CC23CCCC3)c(F)c1 ZINC001508243739 1186492944 /nfs/dbraw/zinc/49/29/44/1186492944.db2.gz YCXKOYXLEKRIPG-MRXNPFEDSA-N 0 3 316.420 3.298 20 30 DGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C(F)=C1CCCC1 ZINC001515158347 1186746467 /nfs/dbraw/zinc/74/64/67/1186746467.db2.gz KOYNTRVABIXRKX-GFCCVEGCSA-N 0 3 316.332 3.140 20 30 DGEDHN N#CC(C(=O)[C@H]1CC12CCC2)c1nccn1Cc1ccccc1 ZINC001515834229 1186771322 /nfs/dbraw/zinc/77/13/22/1186771322.db2.gz CAQPVQAHINGJFT-HZPDHXFCSA-N 0 3 305.381 3.298 20 30 DGEDHN CCN1CCCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1 ZINC001611945166 1193443919 /nfs/dbraw/zinc/44/39/19/1193443919.db2.gz PXZLVRKSDVXBRQ-UHFFFAOYSA-N 0 3 315.314 3.248 20 30 DGEDHN CC1CCC(N2CCN(c3cc(F)ccc3C#N)CC2)CC1 ZINC001611986627 1193444830 /nfs/dbraw/zinc/44/48/30/1193444830.db2.gz DSDUREAEGWHXKN-UHFFFAOYSA-N 0 3 301.409 3.398 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001520036131 1186912123 /nfs/dbraw/zinc/91/21/23/1186912123.db2.gz JZOHCNANWHALEL-SDDRHHMPSA-N 0 3 315.323 3.161 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001520036128 1186912155 /nfs/dbraw/zinc/91/21/55/1186912155.db2.gz JZOHCNANWHALEL-IJLUTSLNSA-N 0 3 315.323 3.161 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001520028490 1186912267 /nfs/dbraw/zinc/91/22/67/1186912267.db2.gz FSWLCKYHDPIGIT-HBNTYKKESA-N 0 3 305.790 3.115 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC001523983154 1187206297 /nfs/dbraw/zinc/20/62/97/1187206297.db2.gz OLDBBGOXDNYBSC-QGZVFWFLSA-N 0 3 313.445 3.069 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2F)cc1 ZINC001524036939 1187210742 /nfs/dbraw/zinc/21/07/42/1187210742.db2.gz GGKAVYFVPXNWLO-ZNMIVQPWSA-N 0 3 302.349 3.035 20 30 DGEDHN N#CC(C(=O)CCC(=O)c1cccs1)c1cccc(F)n1 ZINC001524695336 1187261379 /nfs/dbraw/zinc/26/13/79/1187261379.db2.gz AINUXKZIZIQTSJ-JTQLQIEISA-N 0 3 302.330 3.122 20 30 DGEDHN CN(Cc1ccccc1)C[C@@H](OC(=O)c1coc(C#N)c1)C1CC1 ZINC001526009652 1187347258 /nfs/dbraw/zinc/34/72/58/1187347258.db2.gz NRPIOBWEVFYALD-GOSISDBHSA-N 0 3 324.380 3.219 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1(CCc2ccccc2)CC1 ZINC001526587014 1187376883 /nfs/dbraw/zinc/37/68/83/1187376883.db2.gz INTAWEQRLASZGL-MRXNPFEDSA-N 0 3 307.397 3.492 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCSc1ccccc1F ZINC001526594502 1187377173 /nfs/dbraw/zinc/37/71/73/1187377173.db2.gz PARSLCQQBNJPEP-GFCCVEGCSA-N 0 3 317.389 3.401 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC001526595419 1187377677 /nfs/dbraw/zinc/37/76/77/1187377677.db2.gz ZPAVABKRMIYTFG-ZDUSSCGKSA-N 0 3 321.302 3.341 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC001527142613 1187412518 /nfs/dbraw/zinc/41/25/18/1187412518.db2.gz DFCSWKJQVOOKFG-RDJZCZTQSA-N 0 3 300.446 3.498 20 30 DGEDHN C#CCCCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001615531250 1193523276 /nfs/dbraw/zinc/52/32/76/1193523276.db2.gz MJFQDUCEVSFKIO-UHFFFAOYSA-N 0 3 319.880 3.436 20 30 DGEDHN C=C[C@H](C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001548676400 1188461283 /nfs/dbraw/zinc/46/12/83/1188461283.db2.gz CWPZCZOHMXUSPJ-ZCNNSNEGSA-N 0 3 320.436 3.170 20 30 DGEDHN C#CCN(C(=O)CCCC1CCCCC1)C1CCN(C)CC1 ZINC001617454021 1193570568 /nfs/dbraw/zinc/57/05/68/1193570568.db2.gz HOALBBTVOWUECE-UHFFFAOYSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@H]1C ZINC001657052042 1196096984 /nfs/dbraw/zinc/09/69/84/1196096984.db2.gz OQVMXVPDCJEGDO-ZBFHGGJFSA-N 0 3 306.475 3.144 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001565826692 1188979957 /nfs/dbraw/zinc/97/99/57/1188979957.db2.gz QWFQEOYZNWIZJL-GOEBONIOSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\Sc1ccccc1 ZINC001556467089 1189002613 /nfs/dbraw/zinc/00/26/13/1189002613.db2.gz ZCSKLXQLIZKWBN-PTNGSMBKSA-N 0 3 304.459 3.259 20 30 DGEDHN Cc1cc(F)c(C#N)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC001558214006 1189110572 /nfs/dbraw/zinc/11/05/72/1189110572.db2.gz JNTMCPBHTQOIQL-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN C=CCn1ncc2ccc(NC(=O)C3(N(C)C)CCCC3)cc21 ZINC001558614293 1189138070 /nfs/dbraw/zinc/13/80/70/1189138070.db2.gz HCKZJPPEWHZUHG-UHFFFAOYSA-N 0 3 312.417 3.035 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CCC(F)F ZINC001565939756 1189138362 /nfs/dbraw/zinc/13/83/62/1189138362.db2.gz UVQDRKFITRJZPX-WCQYABFASA-N 0 3 322.827 3.391 20 30 DGEDHN N#Cc1cccc([C@H](O)CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC001559973949 1189265092 /nfs/dbraw/zinc/26/50/92/1189265092.db2.gz NFITWFHOZBYLSI-RTBURBONSA-N 0 3 324.449 3.382 20 30 DGEDHN CC(C)(C)OCCCCN1CCc2c(C#N)c(N)sc2C1 ZINC001560200790 1189289555 /nfs/dbraw/zinc/28/95/55/1189289555.db2.gz MQNLKWWQEMXDMN-UHFFFAOYSA-N 0 3 307.463 3.155 20 30 DGEDHN C[S@@](=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC001560516993 1189335317 /nfs/dbraw/zinc/33/53/17/1189335317.db2.gz XJJGWLRUMZIDPQ-HSZRJFAPSA-N 0 3 324.449 3.465 20 30 DGEDHN C#C[C@@H](C)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001560822336 1189388903 /nfs/dbraw/zinc/38/89/03/1189388903.db2.gz DGXCCGAVEKQXTN-CQSZACIVSA-N 0 3 314.429 3.091 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCCCN1C ZINC001565434242 1189646404 /nfs/dbraw/zinc/64/64/04/1189646404.db2.gz GUMDAMQVPWPXQC-KRWDZBQOSA-N 0 3 307.482 3.249 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC001565821637 1189675033 /nfs/dbraw/zinc/67/50/33/1189675033.db2.gz NOLNWSUEZCYLAC-KGLIPLIRSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](CCC)c1ccccn1 ZINC001565824548 1189676670 /nfs/dbraw/zinc/67/66/70/1189676670.db2.gz JIMBZSFHPFLZBK-DLBZAZTESA-N 0 3 315.461 3.074 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)cc1 ZINC001565822768 1189677652 /nfs/dbraw/zinc/67/76/52/1189677652.db2.gz MFCFVOKIYCJVGI-IBGZPJMESA-N 0 3 312.457 3.250 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001565830459 1189681919 /nfs/dbraw/zinc/68/19/19/1189681919.db2.gz WCAKENFHZDONNO-DZGCQCFKSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001565833815 1189684355 /nfs/dbraw/zinc/68/43/55/1189684355.db2.gz RFWYBCTXSRRUCN-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001565843773 1189687612 /nfs/dbraw/zinc/68/76/12/1189687612.db2.gz BMSXLFGWOQUVCS-FZNQNYSPSA-N 0 3 304.409 3.166 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)(C)C3CC3)C(C)(C)[C@H]21 ZINC001565994873 1189711374 /nfs/dbraw/zinc/71/13/74/1189711374.db2.gz LKNJNNBLQSGBDV-NXHRZFHOSA-N 0 3 316.489 3.051 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC2CC2)C1 ZINC001565999549 1189712244 /nfs/dbraw/zinc/71/22/44/1189712244.db2.gz WIOUONXZLNAKNS-WOJBJXKFSA-N 0 3 324.468 3.174 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001565998464 1189712663 /nfs/dbraw/zinc/71/26/63/1189712663.db2.gz YESIWIVIZBAKRH-GISITXMDSA-N 0 3 322.880 3.264 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC(C2CCC2)C2CCC2)[C@H]1C ZINC001566103660 1189734883 /nfs/dbraw/zinc/73/48/83/1189734883.db2.gz SZRKSMYERJQBGY-KDOFPFPSSA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)[C@H]1C ZINC001566109522 1189736150 /nfs/dbraw/zinc/73/61/50/1189736150.db2.gz PSRVBYOADRHNQR-PVAVHDDUSA-N 0 3 310.457 3.450 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)[C@H]1C ZINC001566113400 1189736367 /nfs/dbraw/zinc/73/63/67/1189736367.db2.gz VAFGAJSFNNTGEL-NJAFHUGGSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1oc(CCC)nc1C ZINC001566123867 1189740907 /nfs/dbraw/zinc/74/09/07/1189740907.db2.gz YYRYOXROHDUKEN-HNNXBMFYSA-N 0 3 319.449 3.048 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001566476358 1189778376 /nfs/dbraw/zinc/77/83/76/1189778376.db2.gz MBUADXOISGFWDO-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC(F)(F)F ZINC001566526431 1189791512 /nfs/dbraw/zinc/79/15/12/1189791512.db2.gz SXECDGYJMOAWPI-MNOVXSKESA-N 0 3 312.763 3.051 20 30 DGEDHN C#CCN(CCCNC(=O)c1ccc(C2CCC2)cc1)C1CC1 ZINC001566588220 1189810594 /nfs/dbraw/zinc/81/05/94/1189810594.db2.gz IHRWZRKXKUZSEI-UHFFFAOYSA-N 0 3 310.441 3.172 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001566610380 1189821362 /nfs/dbraw/zinc/82/13/62/1189821362.db2.gz CBTUGZTUYIRFQQ-UHFFFAOYSA-N 0 3 306.475 3.383 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2cccc(CC)c2)C1 ZINC001566616906 1189824311 /nfs/dbraw/zinc/82/43/11/1189824311.db2.gz QJMPAGCBNAOTNR-GOSISDBHSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)CCC1 ZINC001566671868 1189852677 /nfs/dbraw/zinc/85/26/77/1189852677.db2.gz CXFQMWAHYSNWGA-SFHVURJKSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001566681985 1189856919 /nfs/dbraw/zinc/85/69/19/1189856919.db2.gz LOIGPJIESBOLHF-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCC(=O)NC[C@@H](N[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC001566704402 1189867065 /nfs/dbraw/zinc/86/70/65/1189867065.db2.gz KVGNXWAUEQLNKN-YVEFUNNKSA-N 0 3 322.399 3.476 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001566779830 1189899882 /nfs/dbraw/zinc/89/98/82/1189899882.db2.gz KCQWCOGYWCWIRT-IBGZPJMESA-N 0 3 308.425 3.081 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001566788382 1189902640 /nfs/dbraw/zinc/90/26/40/1189902640.db2.gz GXZMZVQPIWRQCW-QEJZJMRPSA-N 0 3 320.383 3.066 20 30 DGEDHN C[C@@H](C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001566936170 1189960746 /nfs/dbraw/zinc/96/07/46/1189960746.db2.gz JRWWUHPJSXCNJP-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CCC)CCC1 ZINC001566955601 1189966331 /nfs/dbraw/zinc/96/63/31/1189966331.db2.gz OVZIUMPCBCMCPQ-ZWKOTPCHSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CCC)CCC1 ZINC001566955599 1189967517 /nfs/dbraw/zinc/96/75/17/1189967517.db2.gz OVZIUMPCBCMCPQ-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC001567011570 1189993430 /nfs/dbraw/zinc/99/34/30/1189993430.db2.gz JDCWVUOJMKZLLG-KBPBESRZSA-N 0 3 306.837 3.299 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC001567107433 1190031832 /nfs/dbraw/zinc/03/18/32/1190031832.db2.gz OHKLQZSRTZVIRH-FQEVSTJZSA-N 0 3 318.420 3.181 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001567190465 1190060675 /nfs/dbraw/zinc/06/06/75/1190060675.db2.gz ZVXGDSNFTQWABO-QGZVFWFLSA-N 0 3 318.486 3.365 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2CCC)C1 ZINC001567195237 1190061687 /nfs/dbraw/zinc/06/16/87/1190061687.db2.gz LMRIZLGKZNKEBU-GOSISDBHSA-N 0 3 312.457 3.199 20 30 DGEDHN C=C(Br)CN[C@H](C)CCNC(=O)CC(C)(C)CC ZINC001567216758 1190076097 /nfs/dbraw/zinc/07/60/97/1190076097.db2.gz XWVMFNNFXVOFDE-GFCCVEGCSA-N 0 3 319.287 3.206 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCCc2ccccc21 ZINC001567220445 1190077240 /nfs/dbraw/zinc/07/72/40/1190077240.db2.gz YMIJBOQHTMKCCY-PBHICJAKSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2c(F)cccc2F)C1 ZINC001567228839 1190080829 /nfs/dbraw/zinc/08/08/29/1190080829.db2.gz IXQJULCFCQIONZ-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cncc2sccc21 ZINC001567227930 1190081460 /nfs/dbraw/zinc/08/14/60/1190081460.db2.gz ZHRLRPREBXVVNY-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(Cl)ccc1C ZINC001567234789 1190085299 /nfs/dbraw/zinc/08/52/99/1190085299.db2.gz YYYPAPFNRVPWOK-LBPRGKRZSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc(C)cc2C)C1 ZINC001567302691 1190119846 /nfs/dbraw/zinc/11/98/46/1190119846.db2.gz LJTGGLIAKPEBCX-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccc(C(C)C)cc1 ZINC001567331662 1190135439 /nfs/dbraw/zinc/13/54/39/1190135439.db2.gz DXTCUCAGHSATNN-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2cscc2s1 ZINC001567427692 1190186465 /nfs/dbraw/zinc/18/64/65/1190186465.db2.gz AKVJYFKLTNOALG-UHFFFAOYSA-N 0 3 320.483 3.428 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001567434741 1190190252 /nfs/dbraw/zinc/19/02/52/1190190252.db2.gz MYSDYJVKDOIXAA-SJORKVTESA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1ccccc1F)C1CC1 ZINC001567451150 1190201287 /nfs/dbraw/zinc/20/12/87/1190201287.db2.gz FROTWOJJNSLYMC-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1(CC=C)CCC1)c1ccccc1 ZINC001567662035 1190240720 /nfs/dbraw/zinc/24/07/20/1190240720.db2.gz ASYQZPIMSRXHHR-SFHVURJKSA-N 0 3 310.441 3.203 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC001567662445 1190240978 /nfs/dbraw/zinc/24/09/78/1190240978.db2.gz HBJVBWQGCSCKSO-LJQANCHMSA-N 0 3 319.408 3.415 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc2occc2[nH]1)c1ccccc1 ZINC001567660053 1190241050 /nfs/dbraw/zinc/24/10/50/1190241050.db2.gz SDJDNJZCFHEYMK-QGZVFWFLSA-N 0 3 323.396 3.398 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)COC2CCCCC2)C1 ZINC001567684618 1190252628 /nfs/dbraw/zinc/25/26/28/1190252628.db2.gz JYRNQHHGXRBLAW-KRWDZBQOSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CC3(CCC3)C2)C1 ZINC001567687073 1190253653 /nfs/dbraw/zinc/25/36/53/1190253653.db2.gz TUNJNRPPCOPNOC-KRWDZBQOSA-N 0 3 304.478 3.456 20 30 DGEDHN CC/C(C)=C\C(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001567727205 1190275942 /nfs/dbraw/zinc/27/59/42/1190275942.db2.gz DFQDZWXMZHGWAJ-XLEPWJDSSA-N 0 3 324.468 3.175 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001567735771 1190278136 /nfs/dbraw/zinc/27/81/36/1190278136.db2.gz PPKNOQBVBIJRGE-CYBMUJFWSA-N 0 3 320.399 3.321 20 30 DGEDHN C#CCCCCCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001567749543 1190287235 /nfs/dbraw/zinc/28/72/35/1190287235.db2.gz HBCVJUCKVUYOFP-WQLSENKSSA-N 0 3 324.896 3.493 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001567769577 1190293631 /nfs/dbraw/zinc/29/36/31/1190293631.db2.gz IPHVOMNAKFPALP-RTBURBONSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1occc1Cl ZINC001567861321 1190325544 /nfs/dbraw/zinc/32/55/44/1190325544.db2.gz REINNROOUIEMOX-AVGNSLFASA-N 0 3 308.809 3.186 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001567894184 1190337507 /nfs/dbraw/zinc/33/75/07/1190337507.db2.gz SLOXVAGRJWCQEG-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccc(C)cc2)C1 ZINC001567938498 1190364747 /nfs/dbraw/zinc/36/47/47/1190364747.db2.gz GSAJSNDUPWLKRV-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C/C=C(\C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1Cl ZINC001567954897 1190373577 /nfs/dbraw/zinc/37/35/77/1190373577.db2.gz JKPBIUAMXRWUKR-RHHKORPBSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CCC(F)(F)F)CCCC1 ZINC001567996607 1190392398 /nfs/dbraw/zinc/39/23/98/1190392398.db2.gz BLMZQPAZYHRDAY-UHFFFAOYSA-N 0 3 312.763 3.100 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CC(C)(C)CC)C1CC1 ZINC001568022224 1190400791 /nfs/dbraw/zinc/40/07/91/1190400791.db2.gz TZVCCWDXVWGVQG-MRXNPFEDSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C1CCC(C(=O)N[C@@]2(CNCCF)CCCC[C@@H]2C)CC1 ZINC001568039708 1190406928 /nfs/dbraw/zinc/40/69/28/1190406928.db2.gz GDEIHWSHLKUPRW-MAUKXSAKSA-N 0 3 310.457 3.357 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2csc(C)n2)CCC1 ZINC001568191386 1190447806 /nfs/dbraw/zinc/44/78/06/1190447806.db2.gz ZXKGAMZBNYIWEJ-CYBMUJFWSA-N 0 3 321.490 3.040 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)cs2)CCCC1 ZINC001568235826 1190457842 /nfs/dbraw/zinc/45/78/42/1190457842.db2.gz WHGKFYFDHKSIQI-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN C=CCCC(=O)N1CCC2(CN(Cc3ccc(C)cc3)C2)CC1 ZINC001568248174 1190462510 /nfs/dbraw/zinc/46/25/10/1190462510.db2.gz FFDMGRRDWIQTMH-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)C#CC(C)(C)C ZINC001568271851 1190469553 /nfs/dbraw/zinc/46/95/53/1190469553.db2.gz SGYNHEHDNZUOLF-AWEZNQCLSA-N 0 3 320.864 3.326 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C1CC(F)(F)C1 ZINC001568380282 1190506760 /nfs/dbraw/zinc/50/67/60/1190506760.db2.gz GYUABCHBGCAZFO-ZDUSSCGKSA-N 0 3 320.811 3.145 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001568393878 1190510024 /nfs/dbraw/zinc/51/00/24/1190510024.db2.gz UWVFVXHUQJODFG-LBPRGKRZSA-N 0 3 308.800 3.145 20 30 DGEDHN C=CCC1(C(=O)N2CCC(CCN(C)CCF)CC2)CCC1 ZINC001568438778 1190521098 /nfs/dbraw/zinc/52/10/98/1190521098.db2.gz UQFFLPSVGMXYQJ-UHFFFAOYSA-N 0 3 310.457 3.263 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001568480434 1190538874 /nfs/dbraw/zinc/53/88/74/1190538874.db2.gz GOZPRZCLIKWLRV-INIZCTEOSA-N 0 3 300.446 3.187 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1oc2ccccc2c1CC ZINC001568505992 1190553084 /nfs/dbraw/zinc/55/30/84/1190553084.db2.gz BHRVPRUACBPKCS-UHFFFAOYSA-N 0 3 300.402 3.185 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001568551747 1190564562 /nfs/dbraw/zinc/56/45/62/1190564562.db2.gz RCKFKFABWRHYBR-GOSISDBHSA-N 0 3 318.461 3.119 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc(SC)s1 ZINC001568554824 1190564814 /nfs/dbraw/zinc/56/48/14/1190564814.db2.gz XKGQGBKAAYSSJP-CLFYSBASSA-N 0 3 324.515 3.450 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001568554261 1190564855 /nfs/dbraw/zinc/56/48/55/1190564855.db2.gz LOBKWSZXXOOKCL-UHFFFAOYSA-N 0 3 308.853 3.157 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1ccc(F)c(F)c1 ZINC001568551849 1190564953 /nfs/dbraw/zinc/56/49/53/1190564953.db2.gz VUXZJPXTUGSBNZ-UHFFFAOYSA-N 0 3 324.415 3.254 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2cccnc21 ZINC001568654328 1190574404 /nfs/dbraw/zinc/57/44/04/1190574404.db2.gz MWRCDYVAWLXUDX-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(F)ccc(C)c1F ZINC001568674757 1190576919 /nfs/dbraw/zinc/57/69/19/1190576919.db2.gz URCDYVZVVUUHIQ-LLVKDONJSA-N 0 3 316.779 3.124 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1F ZINC001568691011 1190578741 /nfs/dbraw/zinc/57/87/41/1190578741.db2.gz YOKKPDWCHCAGGO-CHWSQXEVSA-N 0 3 312.816 3.166 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC001568705183 1190580463 /nfs/dbraw/zinc/58/04/63/1190580463.db2.gz DJZWIADUWROHMI-DZGCQCFKSA-N 0 3 308.853 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C)c2c1CCC2 ZINC001568713025 1190581123 /nfs/dbraw/zinc/58/11/23/1190581123.db2.gz AIDCYYQAXOZJMC-AWEZNQCLSA-N 0 3 320.864 3.334 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1sc(C)nc1C ZINC001568914281 1190599610 /nfs/dbraw/zinc/59/96/10/1190599610.db2.gz VRWPHYMHTHFBJD-XZVRFQMRSA-N 0 3 321.490 3.124 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001569079317 1190618166 /nfs/dbraw/zinc/61/81/66/1190618166.db2.gz XLJHSPLYLUCLSP-SJCJKPOMSA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001569142775 1190639615 /nfs/dbraw/zinc/63/96/15/1190639615.db2.gz SZCNTKIKOFGDPK-UHOFOFEASA-N 0 3 306.837 3.066 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CC#Cc1ccccc1 ZINC001569153804 1190645839 /nfs/dbraw/zinc/64/58/39/1190645839.db2.gz WYUUKSASUJPLHA-GOSISDBHSA-N 0 3 320.436 3.065 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001569270668 1190659260 /nfs/dbraw/zinc/65/92/60/1190659260.db2.gz CXZFKGAMTDHMHL-JKSUJKDBSA-N 0 3 324.827 3.120 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001569362206 1190676383 /nfs/dbraw/zinc/67/63/83/1190676383.db2.gz WZFFBDHPWMMXPG-TZMCWYRMSA-N 0 3 323.387 3.178 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1CCCc1ccccc1C ZINC001569367774 1190678902 /nfs/dbraw/zinc/67/89/02/1190678902.db2.gz NURNBCCOBILXFT-SFHVURJKSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001569385004 1190688098 /nfs/dbraw/zinc/68/80/98/1190688098.db2.gz XMVBXDXYFNMWIW-INIZCTEOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C[C@H](CC(=O)NCC1(NC/C=C\Cl)CC1)c1ccccc1 ZINC001569431625 1190697406 /nfs/dbraw/zinc/69/74/06/1190697406.db2.gz XFQGRARINLEFGP-UJNBGNEJSA-N 0 3 318.848 3.337 20 30 DGEDHN CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001569446648 1190699756 /nfs/dbraw/zinc/69/97/56/1190699756.db2.gz YANHTGNHOVPXJF-SJORKVTESA-N 0 3 302.462 3.067 20 30 DGEDHN CC#CCCCC(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001569470692 1190704678 /nfs/dbraw/zinc/70/46/78/1190704678.db2.gz FCRQLIPIJSGQPV-QGZVFWFLSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001569553292 1190716080 /nfs/dbraw/zinc/71/60/80/1190716080.db2.gz QHCWQIZBYGXELK-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C[C@@H](C#N)C(=O)NC1(C)CCN([C@@H](C)c2ccccc2F)CC1 ZINC001569570216 1190718536 /nfs/dbraw/zinc/71/85/36/1190718536.db2.gz KSFWBWCDJSYVQF-KBPBESRZSA-N 0 3 317.408 3.017 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2ccc(F)cc2F)CC1 ZINC001569576362 1190719651 /nfs/dbraw/zinc/71/96/51/1190719651.db2.gz NWWQWKUKWLNYGL-UHFFFAOYSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@](C)(F)CCCC)C2 ZINC001569623080 1190725217 /nfs/dbraw/zinc/72/52/17/1190725217.db2.gz VZZFVWJLZUFVPL-MOPGFXCFSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CCCCC ZINC001569911927 1190773234 /nfs/dbraw/zinc/77/32/34/1190773234.db2.gz DAONDQWSRLWTOT-OKZBNKHCSA-N 0 3 304.478 3.291 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001569978297 1190778408 /nfs/dbraw/zinc/77/84/08/1190778408.db2.gz AGCVMLHILCSOBK-CQSZACIVSA-N 0 3 310.825 3.091 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001569991417 1190779616 /nfs/dbraw/zinc/77/96/16/1190779616.db2.gz QYVXNPAPMGHTSF-RBSFLKMASA-N 0 3 312.885 3.249 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001570000049 1190780212 /nfs/dbraw/zinc/78/02/12/1190780212.db2.gz HFJCQPQPHCQNJK-NSHDSACASA-N 0 3 317.216 3.127 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1 ZINC001570031090 1190784997 /nfs/dbraw/zinc/78/49/97/1190784997.db2.gz HYTRZJAZJVUSRN-SJORKVTESA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2CCC(F)CC2)cc1 ZINC001570030995 1190785263 /nfs/dbraw/zinc/78/52/63/1190785263.db2.gz GACKIOUPNFRDTJ-NNGSBXSVSA-N 0 3 316.420 3.115 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc(CCCC)cc2)CCC1 ZINC001570110381 1190798199 /nfs/dbraw/zinc/79/81/99/1190798199.db2.gz RAXPINZUWSWKHH-UHFFFAOYSA-N 0 3 312.457 3.295 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001570177805 1190807957 /nfs/dbraw/zinc/80/79/57/1190807957.db2.gz SNPZDABTGUVMJM-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccccc1C(C)(C)C ZINC001570198865 1190816551 /nfs/dbraw/zinc/81/65/51/1190816551.db2.gz ORTQWKSOPRSFQM-UHFFFAOYSA-N 0 3 314.473 3.401 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](C)c1ccccc1C ZINC001570212088 1190823013 /nfs/dbraw/zinc/82/30/13/1190823013.db2.gz SCIBHCQNVDJLBT-GOSISDBHSA-N 0 3 314.473 3.292 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)C[C@H]1C ZINC001570436629 1190858676 /nfs/dbraw/zinc/85/86/76/1190858676.db2.gz CGEOLCAHERKZJE-SJORKVTESA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001570459667 1190863776 /nfs/dbraw/zinc/86/37/76/1190863776.db2.gz WRIAFULWXVSFCP-MELADBBJSA-N 0 3 300.874 3.296 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(CC)CC ZINC001570521916 1190873794 /nfs/dbraw/zinc/87/37/94/1190873794.db2.gz JNOAUHKUBVUEKS-QZTJIDSGSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001570749242 1190943217 /nfs/dbraw/zinc/94/32/17/1190943217.db2.gz QAQJXRARXIWMRF-SNVBAGLBSA-N 0 3 301.217 3.230 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)OC1CCCCC1 ZINC001570530104 1190877100 /nfs/dbraw/zinc/87/71/00/1190877100.db2.gz DKASNNYXJWUGDR-WMZOPIPTSA-N 0 3 322.493 3.223 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001570598153 1190897681 /nfs/dbraw/zinc/89/76/81/1190897681.db2.gz HTQMRBUCKIOEOY-UONOGXRCSA-N 0 3 322.399 3.141 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001570711339 1190926065 /nfs/dbraw/zinc/92/60/65/1190926065.db2.gz ZATBQQKOEBUQQJ-OIISXLGYSA-N 0 3 300.446 3.049 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccccc1N(C)C ZINC001570714155 1190926549 /nfs/dbraw/zinc/92/65/49/1190926549.db2.gz IVXOJRHIUHDUBS-INIZCTEOSA-N 0 3 317.477 3.045 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001570728598 1190933037 /nfs/dbraw/zinc/93/30/37/1190933037.db2.gz SFDICWHVMMHICT-GUYCJALGSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001570728596 1190933301 /nfs/dbraw/zinc/93/33/01/1190933301.db2.gz SFDICWHVMMHICT-CXAGYDPISA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001570855898 1190966967 /nfs/dbraw/zinc/96/69/67/1190966967.db2.gz LCMLFXLHTXVLTO-INIZCTEOSA-N 0 3 314.473 3.268 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)CC1CC(c2ccccc2)C1 ZINC001571394095 1191012735 /nfs/dbraw/zinc/01/27/35/1191012735.db2.gz DAHYTJFOQMOELB-LRYGQEGESA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc(Cl)c1Cl ZINC001571413874 1191019635 /nfs/dbraw/zinc/01/96/35/1191019635.db2.gz CXHVEIULIIYHRV-NSHDSACASA-N 0 3 313.228 3.067 20 30 DGEDHN CC#CCCCC(=O)N[C@]12CCC[C@@H]1N(C[C@@H](F)CC)CC2 ZINC001571503428 1191033867 /nfs/dbraw/zinc/03/38/67/1191033867.db2.gz RCLJORBUDOWULG-BQFCYCMXSA-N 0 3 308.441 3.041 20 30 DGEDHN C=C(Cl)CN[C@H](CCNC(=O)/C(C)=C/C)Cc1ccccc1 ZINC001571526360 1191044167 /nfs/dbraw/zinc/04/41/67/1191044167.db2.gz FTPWEVFBPLNZGK-XIYYVKAQSA-N 0 3 320.864 3.412 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)C3CCCC3)CC2)CC1 ZINC001571669909 1191080854 /nfs/dbraw/zinc/08/08/54/1191080854.db2.gz RUHXPBNRXAAZGI-INIZCTEOSA-N 0 3 316.489 3.197 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC001571691038 1191082942 /nfs/dbraw/zinc/08/29/42/1191082942.db2.gz XSKBMDZJAVNRIA-IBGZPJMESA-N 0 3 310.441 3.115 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)OC(C)(C)C)c1 ZINC001574856687 1191454552 /nfs/dbraw/zinc/45/45/52/1191454552.db2.gz FAYCOKDLBHSNMQ-ZDUSSCGKSA-N 0 3 324.808 3.050 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC001574856925 1191455049 /nfs/dbraw/zinc/45/50/49/1191455049.db2.gz IFVMPRGSRDPJPT-CQSZACIVSA-N 0 3 317.776 3.282 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)C1CCCCCC1 ZINC001574947446 1191459724 /nfs/dbraw/zinc/45/97/24/1191459724.db2.gz HVKNNSPMJYCURW-SFHVURJKSA-N 0 3 316.445 3.165 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N(CCCCC)Cc1ccc(F)cc1 ZINC001574962436 1191460455 /nfs/dbraw/zinc/46/04/55/1191460455.db2.gz LPENQTMNJCKDNN-QGZVFWFLSA-N 0 3 304.409 3.085 20 30 DGEDHN CC#CC[C@@H](N)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 ZINC001574973897 1191462007 /nfs/dbraw/zinc/46/20/07/1191462007.db2.gz ZGMWICBTIMGWBL-LJQANCHMSA-N 0 3 320.436 3.250 20 30 DGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1NCc2ccccc21 ZINC001575052004 1191464546 /nfs/dbraw/zinc/46/45/46/1191464546.db2.gz VQMOSKIHIMAOFL-SUMWQHHRSA-N 0 3 321.380 3.151 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC001576302509 1191557400 /nfs/dbraw/zinc/55/74/00/1191557400.db2.gz ULOIUEWJJPDKHT-IFXJQAMLSA-N 0 3 319.408 3.312 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](SC)c1ccccc1 ZINC001618813387 1193753164 /nfs/dbraw/zinc/75/31/64/1193753164.db2.gz GQHBTELHCAWJRC-INIZCTEOSA-N 0 3 306.475 3.057 20 30 DGEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC001620642442 1193785593 /nfs/dbraw/zinc/78/55/93/1193785593.db2.gz VWDIRUSYWOUYRY-KRWDZBQOSA-N 0 3 315.417 3.014 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC001620642443 1193786101 /nfs/dbraw/zinc/78/61/01/1193786101.db2.gz VWDIRUSYWOUYRY-QGZVFWFLSA-N 0 3 315.417 3.014 20 30 DGEDHN CCc1cccc(Cl)c1CNCCNc1ccc(C#N)cn1 ZINC001620712955 1193793651 /nfs/dbraw/zinc/79/36/51/1193793651.db2.gz NFWUYZRZIVKTBZ-UHFFFAOYSA-N 0 3 314.820 3.371 20 30 DGEDHN C=C(CC(C)C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001622703810 1193910157 /nfs/dbraw/zinc/91/01/57/1193910157.db2.gz MNYZNORAEMEJLN-SFHVURJKSA-N 0 3 300.446 3.322 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)CCN1C ZINC001625091795 1194032117 /nfs/dbraw/zinc/03/21/17/1194032117.db2.gz NIAGDUUQFIIKEL-GWCFXTLKSA-N 0 3 320.462 3.131 20 30 DGEDHN C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCCN1CCC ZINC001625281806 1194041602 /nfs/dbraw/zinc/04/16/02/1194041602.db2.gz LORCWPXSMOFPCP-GOSISDBHSA-N 0 3 316.445 3.397 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1cc2c(s1)CCCCCC2 ZINC001625359758 1194046786 /nfs/dbraw/zinc/04/67/86/1194046786.db2.gz KZWXRFNZLVRJES-UHFFFAOYSA-N 0 3 318.486 3.092 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]c2ccccc2c1Cl ZINC001626745422 1194092846 /nfs/dbraw/zinc/09/28/46/1194092846.db2.gz ZGZVTTAMHFMZQV-UHFFFAOYSA-N 0 3 319.836 3.401 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(F)(F)F)s1 ZINC001626750863 1194093962 /nfs/dbraw/zinc/09/39/62/1194093962.db2.gz KCJSAMMNBPYAJP-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN C=C[C@H](C(=O)N(CCN(C)C)C1CCCC1)c1ccccc1 ZINC001627127677 1194113431 /nfs/dbraw/zinc/11/34/31/1194113431.db2.gz KMXKJKJHQBOMDQ-SFHVURJKSA-N 0 3 300.446 3.289 20 30 DGEDHN N#C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)C1CCCCC1 ZINC001628987485 1194207605 /nfs/dbraw/zinc/20/76/05/1194207605.db2.gz ONZUCQNFTQNYPH-KRWDZBQOSA-N 0 3 324.428 3.493 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)c2[nH]c3ccccc3c2C#N)c1 ZINC001629153017 1194216964 /nfs/dbraw/zinc/21/69/64/1194216964.db2.gz PHQKXRINNKOAOO-UHFFFAOYSA-N 0 3 318.380 3.353 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001629800714 1194253953 /nfs/dbraw/zinc/25/39/53/1194253953.db2.gz DORZMVZGKIJUDV-SFHVURJKSA-N 0 3 300.446 3.370 20 30 DGEDHN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC001632693089 1194402816 /nfs/dbraw/zinc/40/28/16/1194402816.db2.gz SQTNTMGDKMONDS-IBGZPJMESA-N 0 3 310.441 3.428 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1-n1cccc1 ZINC001634645894 1194506938 /nfs/dbraw/zinc/50/69/38/1194506938.db2.gz HOAAWDJBKYNIGF-UHFFFAOYSA-N 0 3 311.429 3.057 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC001635753443 1194569402 /nfs/dbraw/zinc/56/94/02/1194569402.db2.gz XBNOKGGMYWPVDV-UHFFFAOYSA-N 0 3 319.836 3.401 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1cccc(OC)c1 ZINC001635758086 1194570489 /nfs/dbraw/zinc/57/04/89/1194570489.db2.gz XFPHVMWHWYBKNL-PEZBUJJGSA-N 0 3 316.445 3.065 20 30 DGEDHN CCCCCCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC001636443304 1194613758 /nfs/dbraw/zinc/61/37/58/1194613758.db2.gz PEIKAFNVSVPZQA-UHFFFAOYSA-N 0 3 324.509 3.498 20 30 DGEDHN C#C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(C)(C)C ZINC001638095365 1194701434 /nfs/dbraw/zinc/70/14/34/1194701434.db2.gz NAMPOLPZRGSAFC-GOSISDBHSA-N 0 3 312.457 3.450 20 30 DGEDHN C=CC(C)(C)CCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001638168596 1194705132 /nfs/dbraw/zinc/70/51/32/1194705132.db2.gz MQOLMHBPBHUTOD-OAHLLOKOSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(CC(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001638400495 1194716214 /nfs/dbraw/zinc/71/62/14/1194716214.db2.gz UCJFMHQCMPYSKF-FUHWJXTLSA-N 0 3 300.446 3.368 20 30 DGEDHN Cc1c(Cl)cnc(NCCN2CCCC(C)(C)C2)c1C#N ZINC001639846144 1194784381 /nfs/dbraw/zinc/78/43/81/1194784381.db2.gz NPKFAYYJOFIWMH-UHFFFAOYSA-N 0 3 306.841 3.449 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1sc(C(C)C)nc1C ZINC001640016231 1194791154 /nfs/dbraw/zinc/79/11/54/1194791154.db2.gz SWWPXLNRPQIHMN-UHFFFAOYSA-N 0 3 309.479 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1cc(C)ccc1C ZINC001640016057 1194791414 /nfs/dbraw/zinc/79/14/14/1194791414.db2.gz NSLPHPNVCAUPMO-UHFFFAOYSA-N 0 3 318.461 3.039 20 30 DGEDHN N#Cc1cccc(C#N)c1N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001643327100 1195015596 /nfs/dbraw/zinc/01/55/96/1195015596.db2.gz DOQGNZWUTWPTDW-QGZVFWFLSA-N 0 3 322.799 3.234 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCN(CCC2CCCC2)CC1 ZINC001644194441 1195088707 /nfs/dbraw/zinc/08/87/07/1195088707.db2.gz NRJSHHCZZNTIAL-UHFFFAOYSA-N 0 3 301.409 3.400 20 30 DGEDHN C#CCCCCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC001644460622 1195110269 /nfs/dbraw/zinc/11/02/69/1195110269.db2.gz UOMKQUICXKTGNR-UHFFFAOYSA-N 0 3 305.853 3.441 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN(C)C[C@H]1Cc1ccccc1 ZINC001646719385 1195237009 /nfs/dbraw/zinc/23/70/09/1195237009.db2.gz NNCHSOCVKZGMHH-OAQYLSRUSA-N 0 3 319.452 3.225 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nc(C)cs2)C[C@H]1C ZINC001671230023 1195237919 /nfs/dbraw/zinc/23/79/19/1195237919.db2.gz BPVKPNUWRBMLBR-HUUCEWRRSA-N 0 3 321.490 3.277 20 30 DGEDHN CN(Cc1ccc2ccccc2n1)C[C@H](O)c1cccc(C#N)c1 ZINC001647114906 1195245247 /nfs/dbraw/zinc/24/52/47/1195245247.db2.gz DSSUAISCGWDQTC-FQEVSTJZSA-N 0 3 317.392 3.272 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C2CCCCC2)C1 ZINC001647854671 1195259622 /nfs/dbraw/zinc/25/96/22/1195259622.db2.gz PWNCITZHOXEVNN-KRWDZBQOSA-N 0 3 305.466 3.041 20 30 DGEDHN C=CCCCN(CC)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC001648543855 1195308834 /nfs/dbraw/zinc/30/88/34/1195308834.db2.gz ADCIETPTVXTQTD-UHFFFAOYSA-N 0 3 318.417 3.008 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001649441196 1195339586 /nfs/dbraw/zinc/33/95/86/1195339586.db2.gz KYTUJJPCNJRAOW-TUBUQKNSSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC001649443341 1195340449 /nfs/dbraw/zinc/34/04/49/1195340449.db2.gz KNVFXFUWAAOSBY-YRPNKDGESA-N 0 3 324.468 3.283 20 30 DGEDHN Cc1ccc(CN2CC[C@H](Nc3nccc(C)c3C#N)C2)cc1 ZINC001651350348 1195447404 /nfs/dbraw/zinc/44/74/04/1195447404.db2.gz FVEGLGPVAUOZTI-KRWDZBQOSA-N 0 3 306.413 3.257 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccc(F)c(F)c1F)C2 ZINC001651461838 1195465479 /nfs/dbraw/zinc/46/54/79/1195465479.db2.gz KGZHOAYJABLWQG-CQSZACIVSA-N 0 3 302.299 3.233 20 30 DGEDHN CCc1ccc(C#CC(=O)N2CCN(C3CCCC3)[C@@H](C)C2)cc1 ZINC001651775205 1195507511 /nfs/dbraw/zinc/50/75/11/1195507511.db2.gz LUHJDATXKQXMQT-KRWDZBQOSA-N 0 3 324.468 3.076 20 30 DGEDHN Cc1cccc(CN2CC[C@@H](Nc3ncc(C#N)cc3F)C2)c1 ZINC001652090713 1195545810 /nfs/dbraw/zinc/54/58/10/1195545810.db2.gz NCSQYWSRDBWKSS-MRXNPFEDSA-N 0 3 310.376 3.087 20 30 DGEDHN N#CC1CCC(CNCc2nc(Br)cs2)CC1 ZINC001652278679 1195574786 /nfs/dbraw/zinc/57/47/86/1195574786.db2.gz FXGQREYDQMNBMW-UHFFFAOYSA-N 0 3 314.252 3.325 20 30 DGEDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C#N)s2)c1[O-] ZINC001652692454 1195637467 /nfs/dbraw/zinc/63/74/67/1195637467.db2.gz LXDWVFRKPSUKAW-UHFFFAOYSA-N 0 3 308.790 3.277 20 30 DGEDHN COc1cc(Cl)cc(CNCc2ccc(C#N)s2)c1O ZINC001652692454 1195637472 /nfs/dbraw/zinc/63/74/72/1195637472.db2.gz LXDWVFRKPSUKAW-UHFFFAOYSA-N 0 3 308.790 3.277 20 30 DGEDHN C#CCCOC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001653725567 1195746535 /nfs/dbraw/zinc/74/65/35/1195746535.db2.gz JMLZXIQRTILYJX-WMZOPIPTSA-N 0 3 314.429 3.304 20 30 DGEDHN C#CCOCCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001653764869 1195749208 /nfs/dbraw/zinc/74/92/08/1195749208.db2.gz PEIANBYPBFHRRE-ZDUSSCGKSA-N 0 3 314.212 3.096 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001654997506 1195863224 /nfs/dbraw/zinc/86/32/24/1195863224.db2.gz VUDNOWOUDUGDQC-NVXWUHKLSA-N 0 3 314.429 3.057 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C(=O)N[C@@H](C)CC)cc2)cc1 ZINC001655295288 1195901142 /nfs/dbraw/zinc/90/11/42/1195901142.db2.gz QRMDOZGHXJIPPE-INIZCTEOSA-N 0 3 320.436 3.486 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(C(=O)N[C@H](C)CC)cc2)cc1 ZINC001655295289 1195901613 /nfs/dbraw/zinc/90/16/13/1195901613.db2.gz QRMDOZGHXJIPPE-MRXNPFEDSA-N 0 3 320.436 3.486 20 30 DGEDHN C=CCC[C@@H](O)CN1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001655466371 1195921003 /nfs/dbraw/zinc/92/10/03/1195921003.db2.gz OUBWLSQUUPJYGU-OAHLLOKOSA-N 0 3 319.445 3.124 20 30 DGEDHN C[C@@H](CN(C)[C@H]1CCN(c2sccc2C#N)C1=O)C(C)(C)C ZINC001655535999 1195929060 /nfs/dbraw/zinc/92/90/60/1195929060.db2.gz UPBPJRIOIOIMAI-JSGCOSHPSA-N 0 3 319.474 3.339 20 30 DGEDHN N#Cc1ccc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1F ZINC001655560045 1195932053 /nfs/dbraw/zinc/93/20/53/1195932053.db2.gz RIPBASACCXNVLB-AZUAARDMSA-N 0 3 322.383 3.097 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc(C)nc2scc(C)c21 ZINC001655612808 1195940652 /nfs/dbraw/zinc/94/06/52/1195940652.db2.gz ZGWVSAHDWUUIKM-UHFFFAOYSA-N 0 3 304.463 3.252 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(CC3CCCCC3)CC2)C1=O ZINC001655730807 1195957260 /nfs/dbraw/zinc/95/72/60/1195957260.db2.gz VGHPEJILTHITST-SFHVURJKSA-N 0 3 304.478 3.456 20 30 DGEDHN CCN1CC[C@@H]1CNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC001655796238 1195963383 /nfs/dbraw/zinc/96/33/83/1195963383.db2.gz QUHJMNXIZFPQMN-CQSZACIVSA-N 0 3 319.412 3.174 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CC(F)(F)F ZINC001656080539 1195995923 /nfs/dbraw/zinc/99/59/23/1195995923.db2.gz HZVUMGGNYBXDEG-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2C[C@@H](CC)OC)CCCC1 ZINC001656113284 1196006104 /nfs/dbraw/zinc/00/61/04/1196006104.db2.gz UYVUFSFQFNOXMC-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001656160631 1196012211 /nfs/dbraw/zinc/01/22/11/1196012211.db2.gz NGIMIGKBEWDGRK-KDURUIRLSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2ccns2)[C@@H]1CC ZINC001656714401 1196065159 /nfs/dbraw/zinc/06/51/59/1196065159.db2.gz 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C=CCN1CCC(N(CCC)C(=O)[C@@H](C)c2cccnc2)CC1 ZINC001661096978 1196565986 /nfs/dbraw/zinc/56/59/86/1196565986.db2.gz GNEYNILTRVMLAJ-INIZCTEOSA-N 0 3 315.461 3.074 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1ccccc1F)C1CC1 ZINC001661172302 1196575631 /nfs/dbraw/zinc/57/56/31/1196575631.db2.gz JWANLOCGENLCOB-KRWDZBQOSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001661239585 1196587384 /nfs/dbraw/zinc/58/73/84/1196587384.db2.gz DYHOENSKXSJSDT-RYQLBKOJSA-N 0 3 313.445 3.034 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001661276041 1196591359 /nfs/dbraw/zinc/59/13/59/1196591359.db2.gz QHSBHESCRWRRIF-OKILXGFUSA-N 0 3 314.420 3.309 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001661346118 1196596190 /nfs/dbraw/zinc/59/61/90/1196596190.db2.gz MVWODBAARSUTIX-MJGOQNOKSA-N 0 3 312.457 3.093 20 30 DGEDHN C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661426625 1196604187 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C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCC=C(Cl)Cl ZINC001661942579 1196665036 /nfs/dbraw/zinc/66/50/36/1196665036.db2.gz HKTYENXDJVGXFL-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC(C)C ZINC001661976737 1196668526 /nfs/dbraw/zinc/66/85/26/1196668526.db2.gz GFOYNZLRQKESIG-ZWKOTPCHSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCCCC ZINC001661977594 1196669568 /nfs/dbraw/zinc/66/95/68/1196669568.db2.gz NBLOVODIEIETFB-MSOLQXFVSA-N 0 3 304.478 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001661988955 1196672283 /nfs/dbraw/zinc/67/22/83/1196672283.db2.gz HHZVEFIAHVTFFM-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2CCCCCC2)C1 ZINC001662010373 1196674905 /nfs/dbraw/zinc/67/49/05/1196674905.db2.gz LOOJLBNGXPHCBG-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2ccc(C)nc2C)CCC1 ZINC001662329058 1196708670 /nfs/dbraw/zinc/70/86/70/1196708670.db2.gz 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C=C(C)CN(CCNC(=O)C12CC(c3ccccc3)(C1)C2)C1CC1 ZINC001663777454 1196944376 /nfs/dbraw/zinc/94/43/76/1196944376.db2.gz MBDAXENZMPZZDF-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1Cc2c1cccc2Cl)C1CC1 ZINC001663776928 1196944404 /nfs/dbraw/zinc/94/44/04/1196944404.db2.gz ACHAVZYRIAAHGP-INIZCTEOSA-N 0 3 318.848 3.136 20 30 DGEDHN CC(C)C1(CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001663870562 1196952825 /nfs/dbraw/zinc/95/28/25/1196952825.db2.gz PJOBZHGYXJWTOL-UHFFFAOYSA-N 0 3 301.409 3.256 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccc(C(C)C)n1)c1ccccc1 ZINC001664583459 1197017052 /nfs/dbraw/zinc/01/70/52/1197017052.db2.gz NNOHXHZFVCNWHS-LJQANCHMSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(c2ccccc2)CC1)c1ccccc1 ZINC001664599184 1197019796 /nfs/dbraw/zinc/01/97/96/1197019796.db2.gz PHUSBIABVKWZMQ-IBGZPJMESA-N 0 3 320.436 3.351 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@@H](C)c1ccco1)c1ccccc1 ZINC001664599478 1197020004 /nfs/dbraw/zinc/02/00/04/1197020004.db2.gz 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/nfs/dbraw/zinc/11/92/36/1197119236.db2.gz XKLINNLBXAZIGB-MRXNPFEDSA-N 0 3 300.446 3.460 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001665405926 1197133160 /nfs/dbraw/zinc/13/31/60/1197133160.db2.gz XTWYQKFMWDAQFF-FJIDUMEYSA-N 0 3 322.493 3.057 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC001665458931 1197139990 /nfs/dbraw/zinc/13/99/90/1197139990.db2.gz CZFGVSOUUKSDME-ABMFHFBKSA-N 0 3 324.468 3.330 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCc2sccc2C)C1 ZINC001665738419 1197184193 /nfs/dbraw/zinc/18/41/93/1197184193.db2.gz VCAFCIWVMHJLGV-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1cc(C)ccc1F)C1CC1 ZINC001665980505 1197224125 /nfs/dbraw/zinc/22/41/25/1197224125.db2.gz PHEPPFFPLQDFLH-LJQANCHMSA-N 0 3 318.436 3.475 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(F)c(C)c1)C1CC1 ZINC001666015774 1197227475 /nfs/dbraw/zinc/22/74/75/1197227475.db2.gz ADGXMXLMQYCPBS-KRWDZBQOSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC001666135027 1197238851 /nfs/dbraw/zinc/23/88/51/1197238851.db2.gz KMBAMYHKFVUXFA-AWEZNQCLSA-N 0 3 310.825 3.172 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)CCCC(C)C)cc1 ZINC001666344426 1197253990 /nfs/dbraw/zinc/25/39/90/1197253990.db2.gz JBISOFYXYDBJIV-UHFFFAOYSA-N 0 3 300.446 3.242 20 30 DGEDHN C=CCCC(=O)NC[C@H](C)CN[C@@H](C)c1nc2ccccc2o1 ZINC001666519918 1197266001 /nfs/dbraw/zinc/26/60/01/1197266001.db2.gz MAARERGBPXPIJF-KGLIPLIRSA-N 0 3 315.417 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1nc(C)sc1C ZINC001666600189 1197271590 /nfs/dbraw/zinc/27/15/90/1197271590.db2.gz PMZXXRKNNBJMJA-GFCCVEGCSA-N 0 3 323.506 3.204 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)C(C)(C)C(C)C)CCCC1 ZINC001666763740 1197283726 /nfs/dbraw/zinc/28/37/26/1197283726.db2.gz SBSBVWVGBPKHLC-UHFFFAOYSA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccc(C)cc2)CCCC1 ZINC001666772235 1197283875 /nfs/dbraw/zinc/28/38/75/1197283875.db2.gz OPYNCDMOETWZDR-UHFFFAOYSA-N 0 3 320.864 3.309 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001666786806 1197285607 /nfs/dbraw/zinc/28/56/07/1197285607.db2.gz GIGIFDOIAINWGK-QGZVFWFLSA-N 0 3 319.449 3.104 20 30 DGEDHN CC[C@H](C)CCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001667018352 1197308819 /nfs/dbraw/zinc/30/88/19/1197308819.db2.gz OALONSDACVSHPP-ROUUACIJSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CCc1ccco1 ZINC001667227695 1197331762 /nfs/dbraw/zinc/33/17/62/1197331762.db2.gz XBFAGJMOJWQGCA-HNNXBMFYSA-N 0 3 324.852 3.326 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccn1 ZINC001667374696 1197342252 /nfs/dbraw/zinc/34/22/52/1197342252.db2.gz KECLYHIPRWCEKX-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCCCC(=O)NC[C@H](N[C@H](C)c1ccccc1F)C(C)C ZINC001667452326 1197349985 /nfs/dbraw/zinc/34/99/85/1197349985.db2.gz KIZSYGQVWNJJCR-QAPCUYQASA-N 0 3 318.436 3.421 20 30 DGEDHN C#CCCCC(=O)NC[C@H](N[C@@H](C)c1ccccc1F)C(C)C ZINC001667452328 1197350034 /nfs/dbraw/zinc/35/00/34/1197350034.db2.gz KIZSYGQVWNJJCR-YJBOKZPZSA-N 0 3 318.436 3.421 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001667552627 1197361789 /nfs/dbraw/zinc/36/17/89/1197361789.db2.gz RDEJLDONNHZUDS-UHFFFAOYSA-N 0 3 300.446 3.079 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001667623436 1197371414 /nfs/dbraw/zinc/37/14/14/1197371414.db2.gz YUVXVCRIYWFSFL-UHFFFAOYSA-N 0 3 300.446 3.318 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CCc1ccc(C)cc1 ZINC001668133063 1197401275 /nfs/dbraw/zinc/40/12/75/1197401275.db2.gz NVCMKYYYBBRMDK-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2c(c1)CCC2 ZINC001668305031 1197409231 /nfs/dbraw/zinc/40/92/31/1197409231.db2.gz XPQPFSKTBLPFIB-ZDUSSCGKSA-N 0 3 306.837 3.026 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1ccc(OC)c(F)c1 ZINC001669658141 1197468998 /nfs/dbraw/zinc/46/89/98/1197468998.db2.gz YBMZEPJXNAHYFB-UGSOOPFHSA-N 0 3 322.424 3.031 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001669698400 1197471564 /nfs/dbraw/zinc/47/15/64/1197471564.db2.gz WERXEOAIPXRSJY-ZFWWWQNUSA-N 0 3 319.424 3.118 20 30 DGEDHN CCc1ccccc1CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001669810496 1197485935 /nfs/dbraw/zinc/48/59/35/1197485935.db2.gz CRBVVFYUEFICGE-MRXNPFEDSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCC=C(Cl)Cl ZINC001670237273 1197527289 /nfs/dbraw/zinc/52/72/89/1197527289.db2.gz OPWLYOAEDRVDAZ-AWEZNQCLSA-N 0 3 307.265 3.346 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001670284109 1197529488 /nfs/dbraw/zinc/52/94/88/1197529488.db2.gz YZZIERPUJSWELQ-UHFFFAOYSA-N 0 3 316.779 3.428 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC001670304201 1197531108 /nfs/dbraw/zinc/53/11/08/1197531108.db2.gz CBXKAHONUYVFKX-UHFFFAOYSA-N 0 3 322.880 3.446 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC001671436977 1197540135 /nfs/dbraw/zinc/54/01/35/1197540135.db2.gz HPLMPMUXAZHUGZ-INIZCTEOSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCN(C(=O)[C@H](C)c1ccccc1)C1CCN(CC(=C)C)CC1 ZINC001671504399 1197543271 /nfs/dbraw/zinc/54/32/71/1197543271.db2.gz ZOZXTJVKKDBXOC-GOSISDBHSA-N 0 3 324.468 3.292 20 30 DGEDHN C#CCCCC(=O)N1CCCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001671593399 1197551194 /nfs/dbraw/zinc/55/11/94/1197551194.db2.gz JMJSDNJYYOXCLC-HKUYNNGSSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001671863114 1197576097 /nfs/dbraw/zinc/57/60/97/1197576097.db2.gz TVUVNUMOMDLRTA-QGZVFWFLSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2cccc(CC)c2)C1 ZINC001671891488 1197581469 /nfs/dbraw/zinc/58/14/69/1197581469.db2.gz BEUKSLTUFZPKIA-HXUWFJFHSA-N 0 3 314.473 3.196 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)C1CC1 ZINC001672396481 1197609650 /nfs/dbraw/zinc/60/96/50/1197609650.db2.gz KZKAVXPENCREKH-UHFFFAOYSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)c2ccco2)cc1 ZINC001672943199 1197630136 /nfs/dbraw/zinc/63/01/36/1197630136.db2.gz JOTXTTHOYPKXAN-CVEARBPZSA-N 0 3 324.424 3.373 20 30 DGEDHN CC#CCNC1(CNC(=O)CC[C@H](C)c2ccccc2)CCC1 ZINC001673219444 1197645226 /nfs/dbraw/zinc/64/52/26/1197645226.db2.gz XXTNSZOCLUVRAC-KRWDZBQOSA-N 0 3 312.457 3.222 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001673479037 1197666363 /nfs/dbraw/zinc/66/63/63/1197666363.db2.gz XZNITNDYXDYHGD-UHFFFAOYSA-N 0 3 306.494 3.397 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001673633822 1197680831 /nfs/dbraw/zinc/68/08/31/1197680831.db2.gz LDYKREKTWFRQSR-MOPGFXCFSA-N 0 3 324.468 3.296 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C(CC)CC)C2 ZINC001673645120 1197683710 /nfs/dbraw/zinc/68/37/10/1197683710.db2.gz GOXUMXLHZKSQAP-QFBILLFUSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)CCC)C2 ZINC001673639450 1197683935 /nfs/dbraw/zinc/68/39/35/1197683935.db2.gz JENOJSWLMUJWNY-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(C)ccc2F)C1 ZINC001673898166 1197703380 /nfs/dbraw/zinc/70/33/80/1197703380.db2.gz LVYUXYGDBWBYLR-QAPCUYQASA-N 0 3 318.436 3.427 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001674271086 1197755103 /nfs/dbraw/zinc/75/51/03/1197755103.db2.gz BNDQFXOADQYSLP-KRWDZBQOSA-N 0 3 300.446 3.323 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001674476048 1197783933 /nfs/dbraw/zinc/78/39/33/1197783933.db2.gz WGTBVZWMGFDNMI-MRXNPFEDSA-N 0 3 311.429 3.199 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@](C)(CC)CCC)C1 ZINC001674595634 1197799776 /nfs/dbraw/zinc/79/97/76/1197799776.db2.gz UDUWYIAQXXCZHL-ZBCRRDGASA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)CC1CC(c2ccccc2)C1 ZINC001674952940 1197932838 /nfs/dbraw/zinc/93/28/38/1197932838.db2.gz AYFPQQCYMZLKFD-KLHKWILBSA-N 0 3 300.446 3.193 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC[C@H]1CCc2ccccc21 ZINC001675048880 1197979004 /nfs/dbraw/zinc/97/90/04/1197979004.db2.gz HAXFKXNLRLHLMT-DOTOQJQBSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCCN1CCC(F)(F)F ZINC001675247625 1198019587 /nfs/dbraw/zinc/01/95/87/1198019587.db2.gz OUZVFQSNROKIAP-CYBMUJFWSA-N 0 3 306.372 3.266 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCCCN1CC#CC ZINC001675253658 1198024253 /nfs/dbraw/zinc/02/42/53/1198024253.db2.gz WAMIKADQQGUPLU-SFHVURJKSA-N 0 3 302.462 3.139 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001675263368 1198027129 /nfs/dbraw/zinc/02/71/29/1198027129.db2.gz QGUNSNQAORLDPU-IAGOWNOFSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001675417164 1198060899 /nfs/dbraw/zinc/06/08/99/1198060899.db2.gz CKTLDLQWPNJHRZ-PKOBYXMFSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC001675605551 1198094850 /nfs/dbraw/zinc/09/48/50/1198094850.db2.gz MECDYLOOJQIRCA-HNNXBMFYSA-N 0 3 309.479 3.396 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCNCc1cccc(Cl)n1 ZINC001675947686 1198177520 /nfs/dbraw/zinc/17/75/20/1198177520.db2.gz LXJDWXJLVNOUGQ-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C)cc1OC ZINC001676006789 1198192175 /nfs/dbraw/zinc/19/21/75/1198192175.db2.gz QXJZXDWMQOULQR-AWEZNQCLSA-N 0 3 324.852 3.244 20 30 DGEDHN C[C@H](CN(C)C(=O)C[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001676402302 1198312618 /nfs/dbraw/zinc/31/26/18/1198312618.db2.gz VJCPEXCJCSCLPU-UYAOXDASSA-N 0 3 324.468 3.221 20 30 DGEDHN C[C@@H](CN(C)C(=O)C[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001676402297 1198313033 /nfs/dbraw/zinc/31/30/33/1198313033.db2.gz VJCPEXCJCSCLPU-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@H]1C ZINC001676724334 1198374134 /nfs/dbraw/zinc/37/41/34/1198374134.db2.gz ZPZLNWPOTCCIDO-WBVHZDCISA-N 0 3 316.420 3.098 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3sccc3s2)C1 ZINC001676734518 1198376264 /nfs/dbraw/zinc/37/62/64/1198376264.db2.gz FPZOXCFJYOQQCN-VXGBXAGGSA-N 0 3 318.467 3.179 20 30 DGEDHN C=CC1(CC(=O)N2C[C@H](NCC#CC)C[C@H]2C)CCCCC1 ZINC001676762491 1198382067 /nfs/dbraw/zinc/38/20/67/1198382067.db2.gz KVKYPRVRCMSDBA-IAGOWNOFSA-N 0 3 302.462 3.115 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCC3CCCCC3)CCC[C@H]12 ZINC001676821987 1198401449 /nfs/dbraw/zinc/40/14/49/1198401449.db2.gz WMIFNGCEAOOJCR-AZUAARDMSA-N 0 3 316.489 3.483 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCC3CCCCC3)CCC[C@H]12 ZINC001676821989 1198401712 /nfs/dbraw/zinc/40/17/12/1198401712.db2.gz WMIFNGCEAOOJCR-ICSRJNTNSA-N 0 3 316.489 3.483 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001677280963 1198508516 /nfs/dbraw/zinc/50/85/16/1198508516.db2.gz BTXOWTHPTKWXMB-APWZRJJASA-N 0 3 317.477 3.304 20 30 DGEDHN C=C(Br)CNC1CC(N(C)C(=O)CCCCC)C1 ZINC001677378760 1198525650 /nfs/dbraw/zinc/52/56/50/1198525650.db2.gz IRTKQZOAKRZUTE-UHFFFAOYSA-N 0 3 317.271 3.054 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)c3ccccc3)CC2)CC1 ZINC001677467128 1198541237 /nfs/dbraw/zinc/54/12/37/1198541237.db2.gz FOINEVSPVGPNEI-QGZVFWFLSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC001679217537 1198775356 /nfs/dbraw/zinc/77/53/56/1198775356.db2.gz VLWZGDHBOBODKB-INIZCTEOSA-N 0 3 309.498 3.092 20 30 DGEDHN C=C1CCC(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC001681714007 1199070590 /nfs/dbraw/zinc/07/05/90/1199070590.db2.gz RLIUIWQJVJSBHH-SFHVURJKSA-N 0 3 315.461 3.335 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001683979764 1199326111 /nfs/dbraw/zinc/32/61/11/1199326111.db2.gz RIFPYJSRRMAWER-AEFFLSMTSA-N 0 3 319.493 3.391 20 30 DGEDHN CC[C@H](CC#N)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400734414 1199358619 /nfs/dbraw/zinc/35/86/19/1199358619.db2.gz RJQZRAUGSNZNMV-UKRRQHHQSA-N 0 3 309.454 3.304 20 30 DGEDHN Cc1ccc(-c2n[nH]cc2CNCc2cccc(OCC#N)c2)o1 ZINC000113346936 1199667580 /nfs/dbraw/zinc/66/75/80/1199667580.db2.gz GQGLJKDOCLODBD-UHFFFAOYSA-N 0 3 322.368 3.170 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC/C=C\CC)cc1 ZINC001688881305 1199940166 /nfs/dbraw/zinc/94/01/66/1199940166.db2.gz OYPXOWKHSUTJNL-RURPWVQCSA-N 0 3 310.441 3.171 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1csc(C(C)C)n1 ZINC001688891104 1199945447 /nfs/dbraw/zinc/94/54/47/1199945447.db2.gz JIISVIUMPOIDHG-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001688895326 1199947528 /nfs/dbraw/zinc/94/75/28/1199947528.db2.gz FJMNBJRXTKDTHU-GFCCVEGCSA-N 0 3 306.372 3.074 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001688909214 1199954323 /nfs/dbraw/zinc/95/43/23/1199954323.db2.gz MUHBOTCXQOORTJ-BGYRXZFFSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(F)CCCCC2)C1 ZINC001689012779 1199992388 /nfs/dbraw/zinc/99/23/88/1199992388.db2.gz MJRIILUJFWEOLP-UONOGXRCSA-N 0 3 316.848 3.286 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)[C@H](CC)c1ccc(F)cc1 ZINC001753851698 1199998586 /nfs/dbraw/zinc/99/85/86/1199998586.db2.gz NMIUYGQGSUXEAY-GOSISDBHSA-N 0 3 318.436 3.471 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccccc1C(C)(C)CC ZINC001753855703 1200002740 /nfs/dbraw/zinc/00/27/40/1200002740.db2.gz HAJJUIJIGFHIPL-UHFFFAOYSA-N 0 3 314.473 3.401 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H]1CC ZINC001689183119 1200054395 /nfs/dbraw/zinc/05/43/95/1200054395.db2.gz WZFQJGDSPSJZHO-DLBZAZTESA-N 0 3 318.486 3.411 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1c(F)cccc1F ZINC001753969619 1200054430 /nfs/dbraw/zinc/05/44/30/1200054430.db2.gz MIVWBRITXNRXOX-CYBMUJFWSA-N 0 3 310.388 3.306 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H](CC)CCCC)C[C@@H]2C1 ZINC001689226437 1200064331 /nfs/dbraw/zinc/06/43/31/1200064331.db2.gz UMHQRKIIBJDBRA-KSZLIROESA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001689338561 1200095946 /nfs/dbraw/zinc/09/59/46/1200095946.db2.gz YAJJIWDZOIJFTQ-CVEARBPZSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc2ccsc2[nH]1 ZINC001689350448 1200103104 /nfs/dbraw/zinc/10/31/04/1200103104.db2.gz FTWDFXPXHMIALL-AWEZNQCLSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](F)Cc1ccccc1 ZINC001689355121 1200107353 /nfs/dbraw/zinc/10/73/53/1200107353.db2.gz KMBFZZPHJGVEPP-ZWKOTPCHSA-N 0 3 318.436 3.066 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)CC(C)(C)C1 ZINC001689363234 1200112207 /nfs/dbraw/zinc/11/22/07/1200112207.db2.gz PRCAAIBCJNBQOR-DOTOQJQBSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CC2(C)CCCC2)CC(C)(C)C1 ZINC001689363699 1200112425 /nfs/dbraw/zinc/11/24/25/1200112425.db2.gz YJAVGWRKLMKJJM-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C=C1CCCCC1 ZINC001754259120 1200159042 /nfs/dbraw/zinc/15/90/42/1200159042.db2.gz SNGARXVTGQNFNR-KRWDZBQOSA-N 0 3 310.441 3.023 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cnccc2C)CCCC1 ZINC001754297227 1200181158 /nfs/dbraw/zinc/18/11/58/1200181158.db2.gz MOWYNBRONWSWHU-INIZCTEOSA-N 0 3 315.461 3.121 20 30 DGEDHN C=CCOCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754305080 1200188408 /nfs/dbraw/zinc/18/84/08/1200188408.db2.gz HPBMROPVXPPYFR-KBPBESRZSA-N 0 3 324.852 3.040 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)sc1C ZINC001754385446 1200248882 /nfs/dbraw/zinc/24/88/82/1200248882.db2.gz OYVMFELNGUIPGQ-UHFFFAOYSA-N 0 3 300.855 3.169 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(Cl)ccc1F ZINC001754383406 1200249472 /nfs/dbraw/zinc/24/94/72/1200249472.db2.gz PDCRJNDWIFTRCQ-UHFFFAOYSA-N 0 3 319.207 3.283 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](c1cccnc1)C(C)C ZINC001754405245 1200254169 /nfs/dbraw/zinc/25/41/69/1200254169.db2.gz HXSCMDKCGVHFRX-MRXNPFEDSA-N 0 3 323.868 3.012 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001754418060 1200257512 /nfs/dbraw/zinc/25/75/12/1200257512.db2.gz UERDGKAWPUCSFO-SFHVURJKSA-N 0 3 320.864 3.081 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccsc1COC ZINC001754487349 1200297027 /nfs/dbraw/zinc/29/70/27/1200297027.db2.gz HKWQUHNNXHMXCT-KBPBESRZSA-N 0 3 322.474 3.053 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001754495615 1200310329 /nfs/dbraw/zinc/31/03/29/1200310329.db2.gz OBIKBDZLZCVBEP-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001689874725 1200311995 /nfs/dbraw/zinc/31/19/95/1200311995.db2.gz ZROBRNAWGQJAFG-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN C#CCN(CCCNC(=O)[C@@H](c1ccccc1)C(C)C)C1CC1 ZINC001690007259 1200362838 /nfs/dbraw/zinc/36/28/38/1200362838.db2.gz QIJGSKZRQGRVLZ-LJQANCHMSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001754609163 1200395496 /nfs/dbraw/zinc/39/54/96/1200395496.db2.gz QKHMLWKOSKUGHS-INIZCTEOSA-N 0 3 318.848 3.224 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2cc(C)ccc2C)CC1 ZINC001754628882 1200406627 /nfs/dbraw/zinc/40/66/27/1200406627.db2.gz JPNMAJOQBVHUBG-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCN(C(=O)C/C=C(\C)C=C)C1CCN(CC(=C)C)CC1 ZINC001754639350 1200409973 /nfs/dbraw/zinc/40/99/73/1200409973.db2.gz FCADMWRPTCJEHI-CAOOACKPSA-N 0 3 300.446 3.011 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C1CCN(CC(=C)C)CC1 ZINC001754639979 1200410032 /nfs/dbraw/zinc/41/00/32/1200410032.db2.gz CNSPPIVUEGHANB-PKOBYXMFSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)CCC)C2 ZINC001754661110 1200423239 /nfs/dbraw/zinc/42/32/39/1200423239.db2.gz WYOBOPOYCXZELY-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001690166391 1200429414 /nfs/dbraw/zinc/42/94/14/1200429414.db2.gz CYDAKILKDKUXGF-PZJWPPBQSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001690273511 1200472091 /nfs/dbraw/zinc/47/20/91/1200472091.db2.gz LDIQHLGZTJGVOS-HDJSIYSDSA-N 0 3 322.811 3.019 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)(C)c2ccccc2)C1 ZINC001754733978 1200480281 /nfs/dbraw/zinc/48/02/81/1200480281.db2.gz SDHMSPREVPSFSG-HXUWFJFHSA-N 0 3 314.473 3.369 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001690291016 1200482370 /nfs/dbraw/zinc/48/23/70/1200482370.db2.gz HJUXKRUXPKJSCI-HDJSIYSDSA-N 0 3 322.399 3.304 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1CC ZINC001754786040 1200487635 /nfs/dbraw/zinc/48/76/35/1200487635.db2.gz SXYNWEMKWZECJE-FXAWDEMLSA-N 0 3 324.468 3.376 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001690339778 1200502867 /nfs/dbraw/zinc/50/28/67/1200502867.db2.gz TXVOBAHTFCGFAN-CALCHBBNSA-N 0 3 315.461 3.298 20 30 DGEDHN O=C(C[C@@H]1C=CCCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001690343110 1200504652 /nfs/dbraw/zinc/50/46/52/1200504652.db2.gz GMMCBLMXFBGBON-AQNXPRMDSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CCF ZINC001754830146 1200511264 /nfs/dbraw/zinc/51/12/64/1200511264.db2.gz GIGKIZBCOGELLL-ACHSLPGTSA-N 0 3 308.441 3.084 20 30 DGEDHN C=CCC(C)(C)C(=O)N(CCNCC#CC)Cc1ccccc1 ZINC001754837167 1200515169 /nfs/dbraw/zinc/51/51/69/1200515169.db2.gz FITOSEMLHMTMDZ-UHFFFAOYSA-N 0 3 312.457 3.230 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001754837127 1200515472 /nfs/dbraw/zinc/51/54/72/1200515472.db2.gz DKVVQRRCOSRYRQ-PMACEKPBSA-N 0 3 324.468 3.064 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)CCC)cc1 ZINC001754947229 1200548523 /nfs/dbraw/zinc/54/85/23/1200548523.db2.gz HYNYPCAZQUTFRB-HOTGVXAUSA-N 0 3 300.446 3.413 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccc(Cl)[nH]1 ZINC001754946406 1200548622 /nfs/dbraw/zinc/54/86/22/1200548622.db2.gz HGQMVPDKMUWVOL-UHFFFAOYSA-N 0 3 317.820 3.216 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)CCC)cc1 ZINC001754947228 1200549228 /nfs/dbraw/zinc/54/92/28/1200549228.db2.gz HYNYPCAZQUTFRB-CVEARBPZSA-N 0 3 300.446 3.413 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H]1CCC(F)(F)C1 ZINC001690448936 1200562414 /nfs/dbraw/zinc/56/24/14/1200562414.db2.gz UYNVPCLGSPLKOG-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001690461520 1200575359 /nfs/dbraw/zinc/57/53/59/1200575359.db2.gz VVYYKHAPYORBTR-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](C)c2cc3ccccc3o2)CCC1 ZINC001754990654 1200575473 /nfs/dbraw/zinc/57/54/73/1200575473.db2.gz SSPYYHQPWLCNQT-OAHLLOKOSA-N 0 3 324.424 3.188 20 30 DGEDHN CCC1(C(=O)N2CCCC[C@H]2CNCC#Cc2ccccc2)CC1 ZINC001690479702 1200582214 /nfs/dbraw/zinc/58/22/14/1200582214.db2.gz QSCREPDVVYZXJF-IBGZPJMESA-N 0 3 324.468 3.199 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001755024806 1200585973 /nfs/dbraw/zinc/58/59/73/1200585973.db2.gz JBBODXKHZQSEJS-KRWDZBQOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC001690500701 1200595351 /nfs/dbraw/zinc/59/53/51/1200595351.db2.gz BHTFRSKXIPYPPK-GOEBONIOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCCCN1Cc2ccccc2C[C@@H]1CNC(C)=O ZINC001755074285 1200627045 /nfs/dbraw/zinc/62/70/45/1200627045.db2.gz VENGLIMEGGESBS-LJQANCHMSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCCCCN1Cc2ccccc2C[C@H]1CNC(C)=O ZINC001755074284 1200627721 /nfs/dbraw/zinc/62/77/21/1200627721.db2.gz VENGLIMEGGESBS-IBGZPJMESA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CC1CC1 ZINC001755074370 1200628041 /nfs/dbraw/zinc/62/80/41/1200628041.db2.gz WYTSGFLAUWOIDW-LJQANCHMSA-N 0 3 312.457 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001755076024 1200629297 /nfs/dbraw/zinc/62/92/97/1200629297.db2.gz RPVBFTYOWQUPEA-LJQANCHMSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001755077655 1200631663 /nfs/dbraw/zinc/63/16/63/1200631663.db2.gz YXCXAHIDQCEGKV-HNNXBMFYSA-N 0 3 318.383 3.220 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1c2ccccc2CCN1CCC(=C)C ZINC001755172836 1200678513 /nfs/dbraw/zinc/67/85/13/1200678513.db2.gz YXGHQYAATVFRMW-FQEVSTJZSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc2c1CCCC2 ZINC001755193403 1200690811 /nfs/dbraw/zinc/69/08/11/1200690811.db2.gz XGLUPHIESYHERE-QGZVFWFLSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2c(s1)CCCC2 ZINC001755199727 1200696194 /nfs/dbraw/zinc/69/61/94/1200696194.db2.gz BXKSTPVBWYPCMU-OAHLLOKOSA-N 0 3 318.486 3.349 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001755229680 1200718934 /nfs/dbraw/zinc/71/89/34/1200718934.db2.gz DSCCUYHNDLRLRH-HMBIXPHWSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001755236921 1200724487 /nfs/dbraw/zinc/72/44/87/1200724487.db2.gz MOOAWHFBYSDLDM-OLZOCXBDSA-N 0 3 319.474 3.205 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001755250153 1200735002 /nfs/dbraw/zinc/73/50/02/1200735002.db2.gz VHPWXXIWNRPDAS-PEYJGKETSA-N 0 3 310.441 3.043 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2scnc21 ZINC001690843025 1200745841 /nfs/dbraw/zinc/74/58/41/1200745841.db2.gz KKSFZZJGLKXDRU-NSHDSACASA-N 0 3 323.849 3.147 20 30 DGEDHN CCCC(=O)NCCC[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC001690882697 1200763365 /nfs/dbraw/zinc/76/33/65/1200763365.db2.gz GWCSCANEIHJZEJ-AWEZNQCLSA-N 0 3 319.474 3.281 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1coc(C)c1 ZINC001690894873 1200774308 /nfs/dbraw/zinc/77/43/08/1200774308.db2.gz FWGBRQUNYXTRDU-HNNXBMFYSA-N 0 3 310.825 3.315 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1cccc(OC)c1 ZINC001755302396 1200781605 /nfs/dbraw/zinc/78/16/05/1200781605.db2.gz DNYYKDREXGXJQX-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001755301725 1200781919 /nfs/dbraw/zinc/78/19/19/1200781919.db2.gz RFZVQXKPMGKATM-HNNXBMFYSA-N 0 3 306.425 3.427 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001690945433 1200801788 /nfs/dbraw/zinc/80/17/88/1200801788.db2.gz VVNMQDIFYHIVBX-HNNXBMFYSA-N 0 3 304.434 3.161 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)c(OC)c1)c1ccccc1 ZINC001691787426 1200808957 /nfs/dbraw/zinc/80/89/57/1200808957.db2.gz LXGDEDAQMGVJPP-GOSISDBHSA-N 0 3 324.424 3.250 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC001691791357 1200809963 /nfs/dbraw/zinc/80/99/63/1200809963.db2.gz DRIPFEFWWXIOCQ-INDMIFKZSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC001691796825 1200812559 /nfs/dbraw/zinc/81/25/59/1200812559.db2.gz 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1202119272 /nfs/dbraw/zinc/11/92/72/1202119272.db2.gz WOIUOHSAZHAOJH-LPHOPBHVSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(Cl)cc1Cl ZINC001753092866 1202123888 /nfs/dbraw/zinc/12/38/88/1202123888.db2.gz KGGOJPJCXVJWGV-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CN(C(C)C)CCC2(F)F)CCC1 ZINC001699886570 1202136382 /nfs/dbraw/zinc/13/63/82/1202136382.db2.gz HBUXSEZOMDXYOV-CQSZACIVSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1CCOc1ccccc1 ZINC001753106427 1202137716 /nfs/dbraw/zinc/13/77/16/1202137716.db2.gz OHVWTGSAQVURGQ-QGZVFWFLSA-N 0 3 316.445 3.002 20 30 DGEDHN C=CC1(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)CCCCC1 ZINC001699928713 1202138741 /nfs/dbraw/zinc/13/87/41/1202138741.db2.gz CVODLCIZRYOSFY-BBWFWOEESA-N 0 3 322.468 3.452 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001753118444 1202148164 /nfs/dbraw/zinc/14/81/64/1202148164.db2.gz IFBBYODRXGOVTP-ZWKOTPCHSA-N 0 3 318.436 3.332 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1oc(C)cc1C ZINC001699981312 1202156857 /nfs/dbraw/zinc/15/68/57/1202156857.db2.gz GOTDBBOQRIIZSY-UHFFFAOYSA-N 0 3 324.424 3.152 20 30 DGEDHN CCCN(CCNC(=O)/C=C(\C)CC)Cc1cccc(C#N)c1 ZINC001753144043 1202161803 /nfs/dbraw/zinc/16/18/03/1202161803.db2.gz IQOZMORHOZCFME-FOWTUZBSSA-N 0 3 313.445 3.243 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001753147225 1202165194 /nfs/dbraw/zinc/16/51/94/1202165194.db2.gz WQFJAMVPWRDSIT-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001700091414 1202177345 /nfs/dbraw/zinc/17/73/45/1202177345.db2.gz OIPJZXMRKHAXOC-CVEARBPZSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cccc(F)c2C)cc1 ZINC001700095218 1202179060 /nfs/dbraw/zinc/17/90/60/1202179060.db2.gz USLRDCIYVMTHPL-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC(C2CC2)C2CC2)cc1 ZINC001700098137 1202180740 /nfs/dbraw/zinc/18/07/40/1202180740.db2.gz DJOQPYSZCPGKPV-HNNXBMFYSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccnc(Cl)c2)CCC1 ZINC001700131985 1202187362 /nfs/dbraw/zinc/18/73/62/1202187362.db2.gz KFUYBAVDIQARQK-UHFFFAOYSA-N 0 3 321.852 3.220 20 30 DGEDHN CCC[C@@H](C(=O)N(C)CCNCc1ccc(C#N)s1)C(C)C ZINC001753236877 1202187874 /nfs/dbraw/zinc/18/78/74/1202187874.db2.gz KEIASSKRDCAXJN-MRXNPFEDSA-N 0 3 321.490 3.240 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cncc(C)c2)CCC1 ZINC001700137002 1202189616 /nfs/dbraw/zinc/18/96/16/1202189616.db2.gz ZFTTUGVBCLUKJG-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cncc(C)c2)CCC1 ZINC001700137343 1202189693 /nfs/dbraw/zinc/18/96/93/1202189693.db2.gz XIKQPFAXFFCCGK-SFHVURJKSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C[C@H](C(=O)N(C)CCNCc1ccsc1)c1ccccc1 ZINC001753264295 1202191445 /nfs/dbraw/zinc/19/14/45/1202191445.db2.gz NPAHNDULIMCDJT-KRWDZBQOSA-N 0 3 314.454 3.266 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001753317977 1202206849 /nfs/dbraw/zinc/20/68/49/1202206849.db2.gz ZTBKJKIYSVVIQJ-FUHWJXTLSA-N 0 3 306.494 3.395 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)C2CCCC2)C1 ZINC001753319526 1202207667 /nfs/dbraw/zinc/20/76/67/1202207667.db2.gz HCBGDTKUFFLBFV-SJLPKXTDSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001700200049 1202209352 /nfs/dbraw/zinc/20/93/52/1202209352.db2.gz DMMRYTJUDLFUGI-QZTJIDSGSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccc3c2CCC3)C1 ZINC001753322551 1202210543 /nfs/dbraw/zinc/21/05/43/1202210543.db2.gz INDPIFGJQDPHOZ-GOSISDBHSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc(C)ccc2F)C1 ZINC001753326144 1202212359 /nfs/dbraw/zinc/21/23/59/1202212359.db2.gz FMZHEWCUNXNVIZ-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2occc2C)C1 ZINC001753329307 1202214438 /nfs/dbraw/zinc/21/44/38/1202214438.db2.gz YNGYSAAOWXUGMA-MRXNPFEDSA-N 0 3 304.434 3.020 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001753354098 1202224885 /nfs/dbraw/zinc/22/48/85/1202224885.db2.gz GXEGGQSILFDZOJ-HNNXBMFYSA-N 0 3 304.409 3.072 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001700315060 1202232860 /nfs/dbraw/zinc/23/28/60/1202232860.db2.gz BWYACFOHHYPVST-UKRRQHHQSA-N 0 3 306.475 3.429 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1cccc(OC)c1 ZINC001700328751 1202238720 /nfs/dbraw/zinc/23/87/20/1202238720.db2.gz WQNWBZRJKLGJML-UONOGXRCSA-N 0 3 324.852 3.036 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001753409531 1202244417 /nfs/dbraw/zinc/24/44/17/1202244417.db2.gz REMKVBXXZXXUQO-KXBFYZLASA-N 0 3 300.446 3.398 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001753409815 1202244472 /nfs/dbraw/zinc/24/44/72/1202244472.db2.gz XZPJQFWADUCHGO-FQEVSTJZSA-N 0 3 314.473 3.399 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1CC ZINC001753422196 1202247845 /nfs/dbraw/zinc/24/78/45/1202247845.db2.gz NKKDYEXXITXRAP-OALUTQOASA-N 0 3 312.457 3.043 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001753420128 1202248584 /nfs/dbraw/zinc/24/85/84/1202248584.db2.gz LZXLVWXBCZMZQU-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccoc2C2CC2)C1 ZINC001700376520 1202254469 /nfs/dbraw/zinc/25/44/69/1202254469.db2.gz AHRBVXPRAGXFLX-UHFFFAOYSA-N 0 3 308.809 3.008 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C)(C)C(F)F ZINC001700445319 1202274630 /nfs/dbraw/zinc/27/46/30/1202274630.db2.gz LTBURCLXYZIMQC-UHFFFAOYSA-N 0 3 310.816 3.104 20 30 DGEDHN CC(C)CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001700384109 1202256476 /nfs/dbraw/zinc/25/64/76/1202256476.db2.gz FRUANOPVEVQMAT-CABCVRRESA-N 0 3 320.864 3.220 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccccc2C)C1 ZINC001753459964 1202263519 /nfs/dbraw/zinc/26/35/19/1202263519.db2.gz WAGXSYNBMWBEEB-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1c(C)nsc1C ZINC001753490011 1202273337 /nfs/dbraw/zinc/27/33/37/1202273337.db2.gz OHKIDTOYKLCKCY-RHSMWYFYSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001700442918 1202273644 /nfs/dbraw/zinc/27/36/44/1202273644.db2.gz NESFLESVNFBHOP-CYBMUJFWSA-N 0 3 302.890 3.495 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1occ2c1CCC2 ZINC001700444311 1202274239 /nfs/dbraw/zinc/27/42/39/1202274239.db2.gz MLOLNLDIYJNLPY-UHFFFAOYSA-N 0 3 324.852 3.209 20 30 DGEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001700460500 1202281209 /nfs/dbraw/zinc/28/12/09/1202281209.db2.gz MCXIUWKQCZEGFP-KBPBESRZSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C2CC=CC2)CCCC[C@@H]1C ZINC001753532616 1202285273 /nfs/dbraw/zinc/28/52/73/1202285273.db2.gz TYRAUJJPYJOXAG-GUYCJALGSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)CC(C)(F)F)CCCC[C@H]1C ZINC001753536015 1202285512 /nfs/dbraw/zinc/28/55/12/1202285512.db2.gz ONIHRPGNGWRVNT-IAQYHMDHSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001753556135 1202288355 /nfs/dbraw/zinc/28/83/55/1202288355.db2.gz JZSARIAGFNSBFW-CQSZACIVSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C1CC(C)(C(=O)NCc2ccc(CNC[C@@H](F)CC)cc2)C1 ZINC001753590567 1202295002 /nfs/dbraw/zinc/29/50/02/1202295002.db2.gz KGZTWCQFQSGXIP-KRWDZBQOSA-N 0 3 318.436 3.497 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccoc2CC)CCCC1 ZINC001753662724 1202308025 /nfs/dbraw/zinc/30/80/25/1202308025.db2.gz RDMVZKRFVJPXQH-UHFFFAOYSA-N 0 3 310.825 3.227 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001700554708 1202312442 /nfs/dbraw/zinc/31/24/42/1202312442.db2.gz MDQKFASFIRNVHY-LBPRGKRZSA-N 0 3 324.827 3.034 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2cc(C)no2)C(C)(C)C1 ZINC001700568292 1202315168 /nfs/dbraw/zinc/31/51/68/1202315168.db2.gz WTUIFTUIUNBAGB-INIZCTEOSA-N 0 3 319.449 3.170 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C/C=C/Cc2ccccc2)C(C)(C)C1 ZINC001700569124 1202315315 /nfs/dbraw/zinc/31/53/15/1202315315.db2.gz XITANVIXXRJDMV-YXBWYFRISA-N 0 3 324.468 3.025 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001753693813 1202315787 /nfs/dbraw/zinc/31/57/87/1202315787.db2.gz SDTRMJLGSCFVAT-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN CCC(=O)N[C@H](CNCC#Cc1cccc(Cl)c1)CC(C)C ZINC001753730646 1202323359 /nfs/dbraw/zinc/32/33/59/1202323359.db2.gz BWULDAVNSIUNHE-KRWDZBQOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1cc(C)cc(C)c1 ZINC001700673416 1202332206 /nfs/dbraw/zinc/33/22/06/1202332206.db2.gz LTOSROBZZQOMJQ-INIZCTEOSA-N 0 3 322.880 3.473 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C/c1ccc[nH]1 ZINC001753779766 1202332460 /nfs/dbraw/zinc/33/24/60/1202332460.db2.gz NCOVIEVEPPYLTE-KXPUMZMLSA-N 0 3 321.852 3.141 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H](CC)SC ZINC001753778814 1202332472 /nfs/dbraw/zinc/33/24/72/1202332472.db2.gz GDKQQRWVMOAMJI-UONOGXRCSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](CC)SC ZINC001753778816 1202332495 /nfs/dbraw/zinc/33/24/95/1202332495.db2.gz GDKQQRWVMOAMJI-ZIAGYGMSSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(F)cc1C ZINC001700684424 1202334006 /nfs/dbraw/zinc/33/40/06/1202334006.db2.gz UFAZONGWIVCKOZ-ZDUSSCGKSA-N 0 3 312.816 3.375 20 30 DGEDHN CCCCC(=O)N1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC001700686945 1202334427 /nfs/dbraw/zinc/33/44/27/1202334427.db2.gz VVGKRVVFSYALMF-UHFFFAOYSA-N 0 3 319.474 3.233 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](C)C(C)(F)F ZINC001753795909 1202334897 /nfs/dbraw/zinc/33/48/97/1202334897.db2.gz IBORJQJNOWFHMK-STQMWFEESA-N 0 3 322.827 3.391 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccn1C(C)C ZINC001700688990 1202335126 /nfs/dbraw/zinc/33/51/26/1202335126.db2.gz POIHXQGINGANOM-CQSZACIVSA-N 0 3 311.857 3.310 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cnc(C)s1 ZINC001753804175 1202336256 /nfs/dbraw/zinc/33/62/56/1202336256.db2.gz FOYGTWBWSCILOH-CJNGLKHVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC(N(C)Cc2conc2C)CC1 ZINC001700695753 1202337257 /nfs/dbraw/zinc/33/72/57/1202337257.db2.gz RTRFDTAKXWLNRO-OAHLLOKOSA-N 0 3 319.449 3.008 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](CNCc1ccccc1F)C1CC1 ZINC001700721359 1202342695 /nfs/dbraw/zinc/34/26/95/1202342695.db2.gz IXRAISCNGCXJJJ-QGZVFWFLSA-N 0 3 304.409 3.119 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](CNCc1cc(C)ns1)C1CC1 ZINC001700723628 1202343067 /nfs/dbraw/zinc/34/30/67/1202343067.db2.gz LXWFMFOTWWVIPC-INIZCTEOSA-N 0 3 321.490 3.134 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001700744765 1202347261 /nfs/dbraw/zinc/34/72/61/1202347261.db2.gz DKBSRQXGBQFYTP-ZIAGYGMSSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001700765210 1202350479 /nfs/dbraw/zinc/35/04/79/1202350479.db2.gz OCTSCQAXTDRPAW-UONOGXRCSA-N 0 3 319.474 3.159 20 30 DGEDHN CCCC1(C(=O)N(C)C[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001700767463 1202351287 /nfs/dbraw/zinc/35/12/87/1202351287.db2.gz LTJUQAOARIHUJY-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCC(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700857781 1202359729 /nfs/dbraw/zinc/35/97/29/1202359729.db2.gz GTFXWSBFPYCPFH-QUCCMNQESA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](CC)c3ccccc3)CCC[C@@H]12 ZINC001700865488 1202361408 /nfs/dbraw/zinc/36/14/08/1202361408.db2.gz IRNODERIOZGBPD-FBBABVLZSA-N 0 3 324.468 3.317 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](CCCC)C(C)C)CCC[C@@H]12 ZINC001700867122 1202362215 /nfs/dbraw/zinc/36/22/15/1202362215.db2.gz LTXCZABJGSPHGN-YQVWRLOYSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCOC(C)C)[C@H]2C)CCC1 ZINC001700883868 1202365506 /nfs/dbraw/zinc/36/55/06/1202365506.db2.gz WOHHGLLQDYWJNU-DLBZAZTESA-N 0 3 322.493 3.127 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1 ZINC001700942131 1202371514 /nfs/dbraw/zinc/37/15/14/1202371514.db2.gz KCCVPVYJGAZKDE-WBVHZDCISA-N 0 3 315.461 3.011 20 30 DGEDHN C#CCCCCCC(=O)N1C[C@@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001700946283 1202371926 /nfs/dbraw/zinc/37/19/26/1202371926.db2.gz YSNNZWSHBLSWRW-JKSUJKDBSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc(C)c(F)c1F)C(C)C ZINC001700973832 1202374042 /nfs/dbraw/zinc/37/40/42/1202374042.db2.gz QZGPWQJGCYHVCY-UHFFFAOYSA-N 0 3 310.388 3.242 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H](C)C(F)(F)F)C(C)C ZINC001700973901 1202374305 /nfs/dbraw/zinc/37/43/05/1202374305.db2.gz SXVJGJSWDSNGKE-CYBMUJFWSA-N 0 3 308.388 3.320 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1nc(C(C)(C)C)cs1)C(C)C ZINC001700977158 1202375295 /nfs/dbraw/zinc/37/52/95/1202375295.db2.gz JYDJNOQJOIPKJC-UHFFFAOYSA-N 0 3 323.506 3.409 20 30 DGEDHN CCCC(=O)N[C@H](C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001701004320 1202379579 /nfs/dbraw/zinc/37/95/79/1202379579.db2.gz KZTXOTMRYSPONL-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CC(C)(C)CC)CC[C@H]1C(F)(F)F ZINC001701014805 1202381797 /nfs/dbraw/zinc/38/17/97/1202381797.db2.gz HNNLLHFVNMNQDA-OLZOCXBDSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC001701057628 1202385801 /nfs/dbraw/zinc/38/58/01/1202385801.db2.gz LIWLUOIVPSYOLE-NRFANRHFSA-N 0 3 324.468 3.215 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)C(C)(C)C)c(F)c1 ZINC001701065575 1202386661 /nfs/dbraw/zinc/38/66/61/1202386661.db2.gz JKJIHYJDTQIEBU-ZDUSSCGKSA-N 0 3 306.425 3.400 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001707051522 1202569865 /nfs/dbraw/zinc/56/98/65/1202569865.db2.gz HPAKYLJJXNISQG-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001707055416 1202570113 /nfs/dbraw/zinc/57/01/13/1202570113.db2.gz SHXFGTDDPYFADB-HIFRSBDPSA-N 0 3 319.449 3.046 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001707089281 1202572846 /nfs/dbraw/zinc/57/28/46/1202572846.db2.gz QUOBNZTYGQTAFE-QOKNQOGYSA-N 0 3 318.436 3.412 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001707125251 1202573847 /nfs/dbraw/zinc/57/38/47/1202573847.db2.gz PRXLJCZEEFAGJE-IJDCCNJMSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC2(C[C@H]1C)CCN(CC#CC)CC2 ZINC001707125714 1202574012 /nfs/dbraw/zinc/57/40/12/1202574012.db2.gz SULNZQTXBACADF-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CCC2CCCCC2)[C@H]1CC ZINC001707203236 1202576330 /nfs/dbraw/zinc/57/63/30/1202576330.db2.gz IDEKGJMLGSFMPS-ZWKOTPCHSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001707281284 1202580581 /nfs/dbraw/zinc/58/05/81/1202580581.db2.gz HNOFAMCPBUARLL-YYRKOSNBSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001707433698 1202584604 /nfs/dbraw/zinc/58/46/04/1202584604.db2.gz CIVGRVPIEIIRAD-KBPBESRZSA-N 0 3 310.825 3.313 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)/C=C(/C)C1CC1 ZINC001707443249 1202585054 /nfs/dbraw/zinc/58/50/54/1202585054.db2.gz ZYQUZKLEUCRNGG-ZCXUNETKSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001724179936 1202597538 /nfs/dbraw/zinc/59/75/38/1202597538.db2.gz RSPIMNFELMCPQC-APWZRJJASA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001713000615 1202609339 /nfs/dbraw/zinc/60/93/39/1202609339.db2.gz UGPROQHBJMCHBI-RBGFHDKUSA-N 0 3 310.869 3.144 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001713062321 1202614205 /nfs/dbraw/zinc/61/42/05/1202614205.db2.gz NICVOTNWSXAOQN-CQSZACIVSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001713086056 1202615903 /nfs/dbraw/zinc/61/59/03/1202615903.db2.gz VIJYECWWUZBJGG-INIZCTEOSA-N 0 3 306.475 3.228 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC001713096889 1202616762 /nfs/dbraw/zinc/61/67/62/1202616762.db2.gz ILEGCBYBGCEWSJ-RTBURBONSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CCCn2cccc2)CC1 ZINC001713102235 1202617414 /nfs/dbraw/zinc/61/74/14/1202617414.db2.gz RCGAFIPDODLJFP-UHFFFAOYSA-N 0 3 317.477 3.157 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccccc12 ZINC001713141116 1202621498 /nfs/dbraw/zinc/62/14/98/1202621498.db2.gz AFQGGUWIQLFYSQ-IYBDPMFKSA-N 0 3 323.440 3.423 20 30 DGEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001713149333 1202622146 /nfs/dbraw/zinc/62/21/46/1202622146.db2.gz OYVPHDRUJPXBGJ-KRWDZBQOSA-N 0 3 316.420 3.018 20 30 DGEDHN C[C@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713168006 1202623510 /nfs/dbraw/zinc/62/35/10/1202623510.db2.gz SBZWLVUQHRLFPB-MCNSAMFCSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001713199036 1202625872 /nfs/dbraw/zinc/62/58/72/1202625872.db2.gz QYOXIADPOCTAFN-MCIONIFRSA-N 0 3 304.409 3.336 20 30 DGEDHN C[C@@H]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001713198760 1202625950 /nfs/dbraw/zinc/62/59/50/1202625950.db2.gz HUWKRGJZBXHNOX-AFYVEPGGSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCc2ccc(F)cc2)C1 ZINC001713202035 1202626223 /nfs/dbraw/zinc/62/62/23/1202626223.db2.gz PZAFZONKURGALK-IYBDPMFKSA-N 0 3 324.827 3.138 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1CCOCC(C)C ZINC001713254603 1202631678 /nfs/dbraw/zinc/63/16/78/1202631678.db2.gz VBJFBKDTPVBQIB-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC(C)=O ZINC001713269831 1202633491 /nfs/dbraw/zinc/63/34/91/1202633491.db2.gz KZZNFRMMZCUAOU-ZWKOTPCHSA-N 0 3 320.477 3.167 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)C2(C)CCC2)cc1 ZINC001713385569 1202643580 /nfs/dbraw/zinc/64/35/80/1202643580.db2.gz XRQRIQMPBRZKOA-UHFFFAOYSA-N 0 3 320.864 3.378 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@H](C)c2cccc(F)c2)C1 ZINC001713466542 1202654203 /nfs/dbraw/zinc/65/42/03/1202654203.db2.gz GPNASTYDWQRUTC-CQSZACIVSA-N 0 3 304.409 3.291 20 30 DGEDHN CCN(CCNC(=O)C1(C)CCCC1)Cc1cccc(C#N)c1 ZINC001713489101 1202658730 /nfs/dbraw/zinc/65/87/30/1202658730.db2.gz GWHMIDUWJUJONG-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CCN(CC)CCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001713495884 1202660377 /nfs/dbraw/zinc/66/03/77/1202660377.db2.gz XIUOXTMNNMBFDS-UHFFFAOYSA-N 0 3 304.478 3.217 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C2CCC2)cc1 ZINC001713546942 1202667991 /nfs/dbraw/zinc/66/79/91/1202667991.db2.gz FLWILZCJMYAEBL-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001713550839 1202668863 /nfs/dbraw/zinc/66/88/63/1202668863.db2.gz POSDBHYDTMOCDJ-HNNXBMFYSA-N 0 3 320.864 3.295 20 30 DGEDHN C=CCN(CCNC(=O)c1c(Cl)oc2ccccc21)C1CC1 ZINC001713561180 1202670841 /nfs/dbraw/zinc/67/08/41/1202670841.db2.gz HKUOWRDZPYRXDP-UHFFFAOYSA-N 0 3 318.804 3.466 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CCc1cccs1)c1ccccc1 ZINC001713703398 1202678979 /nfs/dbraw/zinc/67/89/79/1202678979.db2.gz BZFRBBYRMKHGKE-KRWDZBQOSA-N 0 3 314.454 3.314 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001713718091 1202680939 /nfs/dbraw/zinc/68/09/39/1202680939.db2.gz YNEQQUIHNADBPB-RTBURBONSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2cc(C)ccc2F)C1 ZINC001713747138 1202685649 /nfs/dbraw/zinc/68/56/49/1202685649.db2.gz QMTNODRGOZOCRS-INIZCTEOSA-N 0 3 318.436 3.381 20 30 DGEDHN C#CCCCCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001713763573 1202687932 /nfs/dbraw/zinc/68/79/32/1202687932.db2.gz UYBYDFSVVBCWNA-XFFZJAGNSA-N 0 3 310.869 3.103 20 30 DGEDHN C#CCN(CCCNC(=O)C1(CC=C)CCCCC1)C1CC1 ZINC001713775770 1202689280 /nfs/dbraw/zinc/68/92/80/1202689280.db2.gz QPQAMLHUHUDNFG-UHFFFAOYSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](CC)c2ccc(F)cc2)CC1 ZINC001713785582 1202690350 /nfs/dbraw/zinc/69/03/50/1202690350.db2.gz VDSISKOQWLAJFB-SFHVURJKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CCCOC(C)C)C2)CC1 ZINC001713791445 1202691111 /nfs/dbraw/zinc/69/11/11/1202691111.db2.gz AQHBUXSSUGIELU-GOSISDBHSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001713794073 1202691702 /nfs/dbraw/zinc/69/17/02/1202691702.db2.gz VHYPJSILUPSJRB-AEFFLSMTSA-N 0 3 320.477 3.049 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CCCN(CC[C@H](C)F)C2)CCCCC1 ZINC001713794230 1202691730 /nfs/dbraw/zinc/69/17/30/1202691730.db2.gz HPDSTGUAUCYJTC-IRXDYDNUSA-N 0 3 322.468 3.289 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001713831112 1202693828 /nfs/dbraw/zinc/69/38/28/1202693828.db2.gz QYMMSJOIWIRQGI-HNNXBMFYSA-N 0 3 319.449 3.327 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(=C)CC1 ZINC001713910356 1202701390 /nfs/dbraw/zinc/70/13/90/1202701390.db2.gz AAQRIDPTLAIVEF-HDICACEKSA-N 0 3 302.462 3.374 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2CN(Cc3ccccc3CC)C2)C1 ZINC001713918128 1202702238 /nfs/dbraw/zinc/70/22/38/1202702238.db2.gz XEVBHZQIXHFHQY-UHFFFAOYSA-N 0 3 312.457 3.153 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001713982765 1202713941 /nfs/dbraw/zinc/71/39/41/1202713941.db2.gz WUBGEHGCXNMAEM-FPMFFAJLSA-N 0 3 308.372 3.229 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001714003008 1202723197 /nfs/dbraw/zinc/72/31/97/1202723197.db2.gz RBFGOCGKMCXBNN-YUELXQCFSA-N 0 3 321.852 3.074 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001714023931 1202734462 /nfs/dbraw/zinc/73/44/62/1202734462.db2.gz ARDFXHVHTAPMFO-RBUKOAKNSA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001714026203 1202735646 /nfs/dbraw/zinc/73/56/46/1202735646.db2.gz ZJCGINVRVHFJDI-PBHICJAKSA-N 0 3 304.409 3.038 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C/C=C/Cc2ccccc2)C1 ZINC001714035139 1202742322 /nfs/dbraw/zinc/74/23/22/1202742322.db2.gz HJJDIECFYXAOHO-AQKVLALTSA-N 0 3 324.468 3.027 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001714048460 1202750269 /nfs/dbraw/zinc/75/02/69/1202750269.db2.gz BRBURIGNMZQRKP-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC/C=C(\C)C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001714062483 1202758481 /nfs/dbraw/zinc/75/84/81/1202758481.db2.gz TVUDBHKSJCDDFK-APSGNOSNSA-N 0 3 316.420 3.018 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cc(C)ccc1F ZINC001714095349 1202771447 /nfs/dbraw/zinc/77/14/47/1202771447.db2.gz FPLYWGMWZSRXTI-HNNXBMFYSA-N 0 3 306.425 3.331 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001714098099 1202773498 /nfs/dbraw/zinc/77/34/98/1202773498.db2.gz LISXDDZFCYUXEM-ZDUSSCGKSA-N 0 3 321.490 3.430 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cc(F)ccc1F ZINC001714110761 1202782439 /nfs/dbraw/zinc/78/24/39/1202782439.db2.gz KTTVAKFFNKNWJT-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)CC(F)(F)F ZINC001714109354 1202782615 /nfs/dbraw/zinc/78/26/15/1202782615.db2.gz IZYVHIANBOQSDV-CHWSQXEVSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001714114208 1202786003 /nfs/dbraw/zinc/78/60/03/1202786003.db2.gz LGOUGXMNYNSFTO-GFCCVEGCSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1(CNCc2ccccn2)CCCC1 ZINC001714134030 1202795565 /nfs/dbraw/zinc/79/55/65/1202795565.db2.gz ODNRJQVIHJWZBE-UHFFFAOYSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](F)c1ccccc1)C1CC1 ZINC001714172757 1202814977 /nfs/dbraw/zinc/81/49/77/1202814977.db2.gz BXNSYNOBHCIGCA-NVXWUHKLSA-N 0 3 324.827 3.324 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001714215824 1202835759 /nfs/dbraw/zinc/83/57/59/1202835759.db2.gz XFCHOJQFCWRHLY-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC001714227676 1202840170 /nfs/dbraw/zinc/84/01/70/1202840170.db2.gz DHRCUWAEZSFIQY-CABCVRRESA-N 0 3 304.409 3.175 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(Cl)cc1OC ZINC001714260755 1202851100 /nfs/dbraw/zinc/85/11/00/1202851100.db2.gz BLFMXYMDCKJUIM-GFCCVEGCSA-N 0 3 324.852 3.155 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC001714406165 1202915132 /nfs/dbraw/zinc/91/51/32/1202915132.db2.gz FEQKTELLBHFBFV-KBPBESRZSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001714408865 1202916798 /nfs/dbraw/zinc/91/67/98/1202916798.db2.gz YIBSPDNJTLLMAM-KBPBESRZSA-N 0 3 307.463 3.016 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001714436268 1202932846 /nfs/dbraw/zinc/93/28/46/1202932846.db2.gz PZOGBGDZMIJASA-DRHVUCGNSA-N 0 3 324.468 3.426 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001714448760 1202940713 /nfs/dbraw/zinc/94/07/13/1202940713.db2.gz MFHIKKULURQPMX-GNZRSQJKSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001714452720 1202942580 /nfs/dbraw/zinc/94/25/80/1202942580.db2.gz DKWHQCHYNXWSDC-LJQANCHMSA-N 0 3 310.441 3.124 20 30 DGEDHN CC(C)C(=O)NCCC[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC001714505555 1202967869 /nfs/dbraw/zinc/96/78/69/1202967869.db2.gz HWXFEPNXMJTNBR-AWEZNQCLSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@@H]1C=CCC1 ZINC001714506945 1202969674 /nfs/dbraw/zinc/96/96/74/1202969674.db2.gz ZSXIWBOBHJMCHI-HZPDHXFCSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H](C)n1cccc1 ZINC001714510724 1202972764 /nfs/dbraw/zinc/97/27/64/1202972764.db2.gz AESIIWJZYDRRHV-CVEARBPZSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccccc1CC ZINC001714557964 1203000789 /nfs/dbraw/zinc/00/07/89/1203000789.db2.gz BUPFAHQPZZGWHU-LJQANCHMSA-N 0 3 302.462 3.399 20 30 DGEDHN CC#CCCCC(=O)NCCN(CC)Cc1cccc(C)c1 ZINC001714592444 1203031524 /nfs/dbraw/zinc/03/15/24/1203031524.db2.gz XOHSWYIODOYJSV-UHFFFAOYSA-N 0 3 300.446 3.127 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001714642164 1203068726 /nfs/dbraw/zinc/06/87/26/1203068726.db2.gz CZVNJHQWSJIGOF-ZWKOTPCHSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001714642159 1203069891 /nfs/dbraw/zinc/06/98/91/1203069891.db2.gz CZVNJHQWSJIGOF-MSOLQXFVSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2cc(F)ccc2s1)C1CC1 ZINC001714675187 1203096536 /nfs/dbraw/zinc/09/65/36/1203096536.db2.gz JMUZMNALSWZBBQ-UHFFFAOYSA-N 0 3 318.417 3.421 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccn(CC)c1C)c1ccccc1 ZINC001714840940 1203147246 /nfs/dbraw/zinc/14/72/46/1203147246.db2.gz YKBNFHAJCOIFPV-SFHVURJKSA-N 0 3 311.429 3.063 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccc(C)s1)c1ccccc1 ZINC001714840384 1203147738 /nfs/dbraw/zinc/14/77/38/1203147738.db2.gz LJXLSUXQMBGYKE-QGZVFWFLSA-N 0 3 314.454 3.232 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001714845712 1203149335 /nfs/dbraw/zinc/14/93/35/1203149335.db2.gz KUYNWPWQULZMPB-KDURUIRLSA-N 0 3 316.489 3.436 20 30 DGEDHN C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001714852318 1203151660 /nfs/dbraw/zinc/15/16/60/1203151660.db2.gz UJMGPZTUSFJRNR-KDURUIRLSA-N 0 3 312.457 3.261 20 30 DGEDHN CCC(C)(CC)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001714868500 1203166858 /nfs/dbraw/zinc/16/68/58/1203166858.db2.gz VKEMJVWXUYJXFJ-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(Cc2cncs2)C1 ZINC001714876084 1203171966 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C=CCN1CC[C@H](N(C)C(=O)CCc2cc(Cl)cs2)C1 ZINC001715022055 1203240927 /nfs/dbraw/zinc/24/09/27/1203240927.db2.gz CXLQRSNDWVSAEM-ZDUSSCGKSA-N 0 3 312.866 3.053 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001715033045 1203246033 /nfs/dbraw/zinc/24/60/33/1203246033.db2.gz URKANFXGADAOTB-MJGOQNOKSA-N 0 3 314.473 3.282 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccncc2)C1 ZINC001715036305 1203247278 /nfs/dbraw/zinc/24/72/78/1203247278.db2.gz CPDSLFGYOLSNBU-FUHWJXTLSA-N 0 3 315.461 3.074 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001715046584 1203253863 /nfs/dbraw/zinc/25/38/63/1203253863.db2.gz PFXPGAPHWGGTRG-WMZOPIPTSA-N 0 3 300.446 3.289 20 30 DGEDHN CC[C@H](CNC(=O)c1c(C)coc1C)NCC#Cc1ccccc1 ZINC001715062268 1203259774 /nfs/dbraw/zinc/25/97/74/1203259774.db2.gz XVPPNYKGRBZYFW-GOSISDBHSA-N 0 3 324.424 3.046 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CCNCc2ocnc2C)C1 ZINC001715143155 1203284456 /nfs/dbraw/zinc/28/44/56/1203284456.db2.gz SOUYLYDRGPJJAE-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2sc(C)cc2C)cc1 ZINC001715196578 1203294045 /nfs/dbraw/zinc/29/40/45/1203294045.db2.gz YLRQDOUZGBMLCH-UHFFFAOYSA-N 0 3 312.438 3.018 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001715268153 1203305469 /nfs/dbraw/zinc/30/54/69/1203305469.db2.gz BHPQYSVBSRNIOZ-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1sccc1Cl ZINC001715331794 1203318056 /nfs/dbraw/zinc/31/80/56/1203318056.db2.gz KRAYXOIVYCJBNW-NSHDSACASA-N 0 3 300.855 3.304 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cnccc2C)CCC1 ZINC001715366136 1203326181 /nfs/dbraw/zinc/32/61/81/1203326181.db2.gz ZRTUPCAKNNWCHT-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2ccns2)CC(C)C)C1 ZINC001715387829 1203331915 /nfs/dbraw/zinc/33/19/15/1203331915.db2.gz GTOXPALMYJRYSR-AWEZNQCLSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(C(C)C)n1)C(C)C ZINC001715498609 1203353371 /nfs/dbraw/zinc/35/33/71/1203353371.db2.gz UIGMGVZMDGWPFZ-MRXNPFEDSA-N 0 3 323.868 3.302 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(F)ccc1C)C(C)C ZINC001715500241 1203353724 /nfs/dbraw/zinc/35/37/24/1203353724.db2.gz VUPKEUVJTAMNBE-HNNXBMFYSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(F)ccc1C)C(C)C ZINC001715500242 1203353774 /nfs/dbraw/zinc/35/37/74/1203353774.db2.gz VUPKEUVJTAMNBE-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCC(F)(F)C1)C(C)C ZINC001715505243 1203354752 /nfs/dbraw/zinc/35/47/52/1203354752.db2.gz ZNZQHZBWDJBANG-STQMWFEESA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1ccccc1OC ZINC001715537815 1203366715 /nfs/dbraw/zinc/36/67/15/1203366715.db2.gz VHUBAEMKYQZCGN-MRXNPFEDSA-N 0 3 318.461 3.155 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC001715540263 1203367726 /nfs/dbraw/zinc/36/77/26/1203367726.db2.gz VDSAWAQBGFDDHJ-MRXNPFEDSA-N 0 3 300.446 3.227 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1ncccc1C)C(C)C ZINC001715661239 1203378546 /nfs/dbraw/zinc/37/85/46/1203378546.db2.gz OCPJMBWCQQGJFU-INIZCTEOSA-N 0 3 317.477 3.223 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001715697713 1203381814 /nfs/dbraw/zinc/38/18/14/1203381814.db2.gz JDRALECKOVFLRU-KKUMJFAQSA-N 0 3 300.874 3.440 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1ccccc1CC(C)(C)C ZINC001715740894 1203386407 /nfs/dbraw/zinc/38/64/07/1203386407.db2.gz RARNSUAZXVWIBV-UHFFFAOYSA-N 0 3 314.473 3.350 20 30 DGEDHN CN(CCN(C)C(=O)C#CC1CC1)Cc1ccc(C2CCC2)cc1 ZINC001715820148 1203395563 /nfs/dbraw/zinc/39/55/63/1203395563.db2.gz SDNQDQCBRLNKQT-UHFFFAOYSA-N 0 3 324.468 3.258 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C=C1CCCCC1 ZINC001715966032 1203412587 /nfs/dbraw/zinc/41/25/87/1203412587.db2.gz DBAYENPFZAWHEQ-ZDUSSCGKSA-N 0 3 317.458 3.105 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCCc1ccccc1Cl ZINC001716024218 1203426423 /nfs/dbraw/zinc/42/64/23/1203426423.db2.gz SLPDCYLPENPIIY-CQSZACIVSA-N 0 3 308.853 3.285 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1cscn1 ZINC001716068605 1203438548 /nfs/dbraw/zinc/43/85/48/1203438548.db2.gz BSUWNHIMTGQHAH-HIFRSBDPSA-N 0 3 321.490 3.120 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CCNCc1cc(F)ccc1F ZINC001716142939 1203443274 /nfs/dbraw/zinc/44/32/74/1203443274.db2.gz FKQMCRNAXBEFPH-ZDUSSCGKSA-N 0 3 310.388 3.306 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001716174229 1203445860 /nfs/dbraw/zinc/44/58/60/1203445860.db2.gz OBLWDTFYBWCDHY-VXGBXAGGSA-N 0 3 300.855 3.089 20 30 DGEDHN CCN(CCN[C@@H](C)c1ccc(F)c(F)c1)C(=O)C#CC(C)C ZINC001716216837 1203450598 /nfs/dbraw/zinc/45/05/98/1203450598.db2.gz QDSULTQKEPDGEB-AWEZNQCLSA-N 0 3 322.399 3.123 20 30 DGEDHN C=CC(C)(C)CC(=O)NC/C=C\CNCc1csc(C)c1 ZINC001716299158 1203457920 /nfs/dbraw/zinc/45/79/20/1203457920.db2.gz INKOHPXHOJKDOS-SREVYHEPSA-N 0 3 306.475 3.421 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)Cc1ccccc1C1CC1 ZINC001716477190 1203483534 /nfs/dbraw/zinc/48/35/34/1203483534.db2.gz CGTCXHGLOUTWMP-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001716498235 1203492456 /nfs/dbraw/zinc/49/24/56/1203492456.db2.gz PFNVLVIKTYRKQE-SJLPKXTDSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001716504718 1203495358 /nfs/dbraw/zinc/49/53/58/1203495358.db2.gz SRUJVKMHJPALEJ-QWHCGFSZSA-N 0 3 306.475 3.109 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cc(C)ccc1F)C1CC1 ZINC001716617868 1203507184 /nfs/dbraw/zinc/50/71/84/1203507184.db2.gz RPDFQGOXMXIIEB-QGZVFWFLSA-N 0 3 318.436 3.331 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001716622003 1203507851 /nfs/dbraw/zinc/50/78/51/1203507851.db2.gz YBNNNILURVXZCF-DOMZBBRYSA-N 0 3 319.276 3.392 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001716649276 1203513677 /nfs/dbraw/zinc/51/36/77/1203513677.db2.gz FNNSPNFQWXBGGW-PKOBYXMFSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001716652809 1203513946 /nfs/dbraw/zinc/51/39/46/1203513946.db2.gz VLMWJSXEAIZKCO-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001716661797 1203517365 /nfs/dbraw/zinc/51/73/65/1203517365.db2.gz TXLNASKBQDKPGX-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001716664243 1203518778 /nfs/dbraw/zinc/51/87/78/1203518778.db2.gz OWFWQXGWSAUVAI-CABCVRRESA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001716669453 1203520938 /nfs/dbraw/zinc/52/09/38/1203520938.db2.gz PDJKUFCLBSIEOX-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCCC(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001716692320 1203526246 /nfs/dbraw/zinc/52/62/46/1203526246.db2.gz PXJKDVNPGNBYCI-QGZVFWFLSA-N 0 3 316.420 3.408 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001716723914 1203532673 /nfs/dbraw/zinc/53/26/73/1203532673.db2.gz UGYZXHNHBSRCOZ-FXAWDEMLSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001716723920 1203532878 /nfs/dbraw/zinc/53/28/78/1203532878.db2.gz UGYZXHNHBSRCOZ-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001716782829 1203542005 /nfs/dbraw/zinc/54/20/05/1203542005.db2.gz RSNDGETZVZFGMS-CYBMUJFWSA-N 0 3 317.260 3.080 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001716847308 1203554480 /nfs/dbraw/zinc/55/44/80/1203554480.db2.gz IJNUXEHXCVBADY-LPHOPBHVSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc(C)c2C)C1 ZINC001716901165 1203566367 /nfs/dbraw/zinc/56/63/67/1203566367.db2.gz COZZPUGPXVLMTQ-IBGZPJMESA-N 0 3 300.446 3.321 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2ccsc2)C1 ZINC001716900301 1203566378 /nfs/dbraw/zinc/56/63/78/1203566378.db2.gz XELHODGJIJDCCW-CRAIPNDOSA-N 0 3 318.486 3.093 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001716901124 1203566381 /nfs/dbraw/zinc/56/63/81/1203566381.db2.gz BKIYGMNBNCOXSX-HXUWFJFHSA-N 0 3 323.440 3.023 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001716901906 1203566689 /nfs/dbraw/zinc/56/66/89/1203566689.db2.gz RVYNAVWFMWTOIS-QWFCFKBJSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001716902175 1203566744 /nfs/dbraw/zinc/56/67/44/1203566744.db2.gz YOUUAAZFULVQIN-NLWGTHIKSA-N 0 3 312.457 3.194 20 30 DGEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001716953408 1203569038 /nfs/dbraw/zinc/56/90/38/1203569038.db2.gz ZCWFHGFOJXILIN-MJGOQNOKSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1CC ZINC001716954276 1203569476 /nfs/dbraw/zinc/56/94/76/1203569476.db2.gz RFWJEKSBEDKQPR-BEFAXECRSA-N 0 3 312.457 3.065 20 30 DGEDHN CC[C@H](F)CNCCN(Cc1ccccc1)C(=O)C#CC(C)C ZINC001717004885 1203576345 /nfs/dbraw/zinc/57/63/45/1203576345.db2.gz DVPCWFFMBNVYAE-SFHVURJKSA-N 0 3 318.436 3.012 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cscc2C)cc1 ZINC001717115726 1203586598 /nfs/dbraw/zinc/58/65/98/1203586598.db2.gz NOZZKAVXJXCJRR-CQSZACIVSA-N 0 3 312.438 3.270 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](CC)CC2CCCCC2)CCC1 ZINC001717158996 1203593396 /nfs/dbraw/zinc/59/33/96/1203593396.db2.gz QGQYBWBGDFPLAQ-QGZVFWFLSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CCC)c2ccccc2)CCC1 ZINC001717162387 1203594545 /nfs/dbraw/zinc/59/45/45/1203594545.db2.gz RDQHNUYOAUAAJG-SFHVURJKSA-N 0 3 312.457 3.222 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001717191525 1203595848 /nfs/dbraw/zinc/59/58/48/1203595848.db2.gz NUSHNSYKIYSOBF-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CC)(NCc2nccs2)CC1 ZINC001717239690 1203607970 /nfs/dbraw/zinc/60/79/70/1203607970.db2.gz UZNFMGVUJACUFY-UHFFFAOYSA-N 0 3 321.490 3.216 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)CCCC)C2 ZINC001717244997 1203609313 /nfs/dbraw/zinc/60/93/13/1203609313.db2.gz LPUBGKJLGXIGBB-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CCC)C(C)C)C2 ZINC001717248048 1203610130 /nfs/dbraw/zinc/61/01/30/1203610130.db2.gz TZQPDQOZDFTIJH-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)CCC ZINC001717361433 1203625266 /nfs/dbraw/zinc/62/52/66/1203625266.db2.gz RTDDIXWUIZOUKA-ATZDWAIDSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1CCCCCC1 ZINC001717363600 1203626155 /nfs/dbraw/zinc/62/61/55/1203626155.db2.gz LZPIEKHWZVOFJH-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(Cl)c(F)c1 ZINC001717372390 1203628616 /nfs/dbraw/zinc/62/86/16/1203628616.db2.gz BNQHGTZTARDNRN-AWEZNQCLSA-N 0 3 324.827 3.130 20 30 DGEDHN CC(C)=CC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397377 1203635709 /nfs/dbraw/zinc/63/57/09/1203635709.db2.gz RJHOGTMTMKPSEV-HUUCEWRRSA-N 0 3 318.848 3.141 20 30 DGEDHN CC(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717398417 1203635965 /nfs/dbraw/zinc/63/59/65/1203635965.db2.gz DXSJNUNXVIADRS-UONOGXRCSA-N 0 3 319.424 3.116 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717407153 1203637836 /nfs/dbraw/zinc/63/78/36/1203637836.db2.gz PLDGKLYRUNKOBH-GJQIVEAUSA-N 0 3 317.408 3.036 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001717407950 1203638272 /nfs/dbraw/zinc/63/82/72/1203638272.db2.gz DOXYOFOLFFMQPJ-STQMWFEESA-N 0 3 310.388 3.304 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1cnc(C)s1 ZINC001717409494 1203638160 /nfs/dbraw/zinc/63/81/60/1203638160.db2.gz ORTQVUXZFGHJPI-VXGBXAGGSA-N 0 3 309.479 3.037 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001717438533 1203644419 /nfs/dbraw/zinc/64/44/19/1203644419.db2.gz IDOGGWZCEAHPFJ-QWHCGFSZSA-N 0 3 319.474 3.183 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCC(NCc2cc(C)no2)CC1 ZINC001717446564 1203646579 /nfs/dbraw/zinc/64/65/79/1203646579.db2.gz GDBLGEBUKTWUNT-UHFFFAOYSA-N 0 3 319.449 3.054 20 30 DGEDHN C=CCCCC(=O)N(C)C1CCC(NCc2ocnc2C)CC1 ZINC001717447558 1203646882 /nfs/dbraw/zinc/64/68/82/1203646882.db2.gz SWBSXGOSKFPZRX-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001717544932 1203678807 /nfs/dbraw/zinc/67/88/07/1203678807.db2.gz OLMHPSKNQMOENA-CQSZACIVSA-N 0 3 311.429 3.071 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 ZINC001717555142 1203681139 /nfs/dbraw/zinc/68/11/39/1203681139.db2.gz PMGLWDXGLIETBP-LBPRGKRZSA-N 0 3 314.420 3.071 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CC2(c3ccccc3)CC2)C(C)(C)C1 ZINC001717581658 1203685940 /nfs/dbraw/zinc/68/59/40/1203685940.db2.gz SAHYABYYTSTDDY-KRWDZBQOSA-N 0 3 312.457 3.121 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)CCCCCC)C(C)(C)C1 ZINC001717586293 1203687441 /nfs/dbraw/zinc/68/74/41/1203687441.db2.gz IVAXBSFVHIHKRG-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001717664676 1203696497 /nfs/dbraw/zinc/69/64/97/1203696497.db2.gz ZQJYAMNAURMJPG-HNFXJGKRSA-N 0 3 317.408 3.038 20 30 DGEDHN C=CC(C)(C)C(=O)NCC[C@@H](NCc1ncc(C)s1)C(C)C ZINC001717720573 1203704415 /nfs/dbraw/zinc/70/44/15/1203704415.db2.gz PYWMTQBVXWRMIE-CQSZACIVSA-N 0 3 323.506 3.284 20 30 DGEDHN CCCC(=O)N1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001717785751 1203711930 /nfs/dbraw/zinc/71/19/30/1203711930.db2.gz DVNYFULFWGUITL-WMLDXEAASA-N 0 3 318.848 3.071 20 30 DGEDHN CCCC(=O)N1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@H]1C ZINC001717786760 1203712044 /nfs/dbraw/zinc/71/20/44/1203712044.db2.gz VLKKUAYBKNKCNS-PBHICJAKSA-N 0 3 318.848 3.071 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cc(C)ns2)C[C@@H]1C ZINC001717812004 1203715276 /nfs/dbraw/zinc/71/52/76/1203715276.db2.gz JQUIBRQCFIIGTI-UONOGXRCSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001717813609 1203715446 /nfs/dbraw/zinc/71/54/46/1203715446.db2.gz ULQLQBOJPRLAQI-HKUYNNGSSA-N 0 3 324.468 3.219 20 30 DGEDHN CC(C)C#CC(=O)N[C@@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001717835369 1203718337 /nfs/dbraw/zinc/71/83/37/1203718337.db2.gz FEUZNKFNKSKCNR-SJLPKXTDSA-N 0 3 316.470 3.021 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)[C@H](C)CC3CCCCC3)CCC[C@@H]12 ZINC001717841168 1203719510 /nfs/dbraw/zinc/71/95/10/1203719510.db2.gz PDCRFMHKIOXVNK-POAQFYNOSA-N 0 3 316.489 3.339 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)[C@H](C)CC3CCCCC3)CCC[C@H]12 ZINC001717841167 1203720043 /nfs/dbraw/zinc/72/00/43/1203720043.db2.gz PDCRFMHKIOXVNK-KPFFTGBYSA-N 0 3 316.489 3.339 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2(C)CCCC2)[C@@H]1C ZINC001717852473 1203721872 /nfs/dbraw/zinc/72/18/72/1203721872.db2.gz QTVWTCHSZLYZLR-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H]1C ZINC001717856465 1203722749 /nfs/dbraw/zinc/72/27/49/1203722749.db2.gz TVBLHHGAHVRZRM-QWHCGFSZSA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cc(C)ccc2F)C(C)(C)C1 ZINC001717890749 1203728914 /nfs/dbraw/zinc/72/89/14/1203728914.db2.gz SGDHFZPQMGCIMP-KRWDZBQOSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cnccc2C)C(C)(C)C1 ZINC001717899253 1203729886 /nfs/dbraw/zinc/72/98/86/1203729886.db2.gz NCCAVZGKHJMCSY-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001717966732 1203737409 /nfs/dbraw/zinc/73/74/09/1203737409.db2.gz PUEMPAVKRUDHFK-INIZCTEOSA-N 0 3 321.440 3.198 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001717983635 1203739975 /nfs/dbraw/zinc/73/99/75/1203739975.db2.gz JHFREAHUYSIQAV-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2nocc2C)[C@@H](CC)C1 ZINC001723379039 1203966336 /nfs/dbraw/zinc/96/63/36/1203966336.db2.gz QVTOOTSLWZCSPY-HOTGVXAUSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001723437780 1203971676 /nfs/dbraw/zinc/97/16/76/1203971676.db2.gz HWMGQDOGEAILBH-OAHLLOKOSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001723458631 1203974805 /nfs/dbraw/zinc/97/48/05/1203974805.db2.gz SGCSQAFPWVXFMI-YJBOKZPZSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001723458628 1203974837 /nfs/dbraw/zinc/97/48/37/1203974837.db2.gz SGCSQAFPWVXFMI-CRAIPNDOSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001723468470 1203976109 /nfs/dbraw/zinc/97/61/09/1203976109.db2.gz BBTIZJASIDSBOR-GDBMZVCRSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001723473220 1203976737 /nfs/dbraw/zinc/97/67/37/1203976737.db2.gz KQPOBFJKXHUIHY-JSGCOSHPSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1cc(C)cc(C)c1 ZINC001723471886 1203976754 /nfs/dbraw/zinc/97/67/54/1203976754.db2.gz VZOVUPBNQZMBSX-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001723482625 1203978168 /nfs/dbraw/zinc/97/81/68/1203978168.db2.gz DEOUFSWLALKYFX-YJBOKZPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001723485699 1203978860 /nfs/dbraw/zinc/97/88/60/1203978860.db2.gz YNMXIBFATZZWRL-ROUUACIJSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCCC(=O)NCC1(N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC001723509987 1203979910 /nfs/dbraw/zinc/97/99/10/1203979910.db2.gz XDTZNQLAEOZXKZ-AWEZNQCLSA-N 0 3 318.848 3.443 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001723509772 1203979917 /nfs/dbraw/zinc/97/99/17/1203979917.db2.gz MVSDLFKCPWJFQS-UHFFFAOYSA-N 0 3 318.486 3.297 20 30 DGEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001723625830 1203985841 /nfs/dbraw/zinc/98/58/41/1203985841.db2.gz GKAYCKDWIJRTAI-KURKYZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@]3(C2)CCCN(CC#CC)C3)CCC1 ZINC001723678484 1203988582 /nfs/dbraw/zinc/98/85/82/1203988582.db2.gz FSJRIGAAGAKRMF-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001723740200 1203991462 /nfs/dbraw/zinc/99/14/62/1203991462.db2.gz FJCMQMOCCOWXFT-HKUYNNGSSA-N 0 3 322.468 3.243 20 30 DGEDHN C#CCCCCCC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001723784288 1203992775 /nfs/dbraw/zinc/99/27/75/1203992775.db2.gz ZMNUQNCEONKKEW-UHFFFAOYSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1cc(C)ccc1F ZINC001723886877 1203997682 /nfs/dbraw/zinc/99/76/82/1203997682.db2.gz CXWVRFMLTDKLJB-MRXNPFEDSA-N 0 3 304.409 3.181 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001723898113 1203998535 /nfs/dbraw/zinc/99/85/35/1203998535.db2.gz CRBCSCMKVWSQRG-INIZCTEOSA-N 0 3 318.848 3.080 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2ccccc2F)CC1 ZINC001724015630 1204001677 /nfs/dbraw/zinc/00/16/77/1204001677.db2.gz DBEKBQLVIPNNIF-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCc1cncc(C)c1)C1CCCC1 ZINC001724078546 1204003948 /nfs/dbraw/zinc/00/39/48/1204003948.db2.gz VKNMVGBYSUULLP-GOSISDBHSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](CC)C(C)C)C2 ZINC001724125103 1204006256 /nfs/dbraw/zinc/00/62/56/1204006256.db2.gz ASPHLTXUBSJWGQ-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001724150375 1204009372 /nfs/dbraw/zinc/00/93/72/1204009372.db2.gz CMABCHDOEMVPLZ-OAHLLOKOSA-N 0 3 318.383 3.103 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001724174463 1204011048 /nfs/dbraw/zinc/01/10/48/1204011048.db2.gz QFOONOZHECWWAU-DYVFJYSZSA-N 0 3 306.837 3.210 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2sc(CC)nc2C)C1 ZINC001724339480 1204023135 /nfs/dbraw/zinc/02/31/35/1204023135.db2.gz CEEVDQLWXUTXEI-QGZVFWFLSA-N 0 3 321.490 3.032 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2cccs2)C1 ZINC001724333717 1204023258 /nfs/dbraw/zinc/02/32/58/1204023258.db2.gz PFHBODAOUAULJM-CRAIPNDOSA-N 0 3 318.486 3.093 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001724586034 1204030663 /nfs/dbraw/zinc/03/06/63/1204030663.db2.gz CUWXWEYLYDJPJB-SBDSJIHDSA-N 0 3 319.276 3.346 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001724688156 1204037968 /nfs/dbraw/zinc/03/79/68/1204037968.db2.gz ASVRLQYTYBHMEC-CYBMUJFWSA-N 0 3 310.800 3.020 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C=C(/C)C1CC1 ZINC001724736635 1204041357 /nfs/dbraw/zinc/04/13/57/1204041357.db2.gz ISPCSBKHRFJTGG-SSZFMOIBSA-N 0 3 310.441 3.114 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cccc(C)c2F)cc1 ZINC001724745080 1204042809 /nfs/dbraw/zinc/04/28/09/1204042809.db2.gz RLKRXRYRDZMSFE-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@H](C)CCCCC)C2)CC1 ZINC001724759647 1204044392 /nfs/dbraw/zinc/04/43/92/1204044392.db2.gz MALMAZKCXICJLL-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001724833084 1204050851 /nfs/dbraw/zinc/05/08/51/1204050851.db2.gz NKPKZHZHPAPMIA-MRXNPFEDSA-N 0 3 304.409 3.263 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001724859735 1204060181 /nfs/dbraw/zinc/06/01/81/1204060181.db2.gz IJLQKCUEKGTIFV-GOSISDBHSA-N 0 3 318.436 3.123 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC=C)C1 ZINC001724865320 1204060702 /nfs/dbraw/zinc/06/07/02/1204060702.db2.gz FCQLHBMAWAXKLE-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCC2(CN(CC(CC)CC)C2)O1 ZINC001724871371 1204061512 /nfs/dbraw/zinc/06/15/12/1204061512.db2.gz SIBBXPYOPRSLOS-KRWDZBQOSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CCC(C)(C)C)C2 ZINC001724901550 1204065298 /nfs/dbraw/zinc/06/52/98/1204065298.db2.gz SLQMRRSYFMPGPE-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccnc(Cl)c2)C1 ZINC001724941308 1204068215 /nfs/dbraw/zinc/06/82/15/1204068215.db2.gz GUZWLBPZDFQVHI-DZGCQCFKSA-N 0 3 321.852 3.028 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001724972804 1204073858 /nfs/dbraw/zinc/07/38/58/1204073858.db2.gz UOZYDXXFVFSYNB-INIZCTEOSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C(CCC)CCC)C(C)(C)C1 ZINC001724979689 1204073873 /nfs/dbraw/zinc/07/38/73/1204073873.db2.gz RIQGNXIBHTWCQY-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001724995494 1204076467 /nfs/dbraw/zinc/07/64/67/1204076467.db2.gz OIGVRZSETMPXHT-GDBMZVCRSA-N 0 3 304.459 3.021 20 30 DGEDHN C=C(C)CCC(=O)N1CCC2(CC1)CN(CCCCC)CCO2 ZINC001725012539 1204079633 /nfs/dbraw/zinc/07/96/33/1204079633.db2.gz JYAUHPDSJCWWMF-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1(C)CCCCC1 ZINC001725051709 1204085899 /nfs/dbraw/zinc/08/58/99/1204085899.db2.gz YYVGLMPVILEFQQ-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1(C)CCCCC1 ZINC001725051706 1204086011 /nfs/dbraw/zinc/08/60/11/1204086011.db2.gz YYVGLMPVILEFQQ-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CC(C)(C)C ZINC001725082162 1204090800 /nfs/dbraw/zinc/09/08/00/1204090800.db2.gz QZWCVHXQMRNHHK-RYUDHWBXSA-N 0 3 307.463 3.039 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001725085914 1204091565 /nfs/dbraw/zinc/09/15/65/1204091565.db2.gz QVFOXIIPQBTINX-DJYJQHBUSA-N 0 3 316.420 3.016 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)[C@H](C)CC ZINC001725145197 1204102739 /nfs/dbraw/zinc/10/27/39/1204102739.db2.gz AMNLLYQXBSXSLR-OCCSQVGLSA-N 0 3 302.890 3.495 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CC(C)(C)CNCc2nccs2)C1 ZINC001725150235 1204103314 /nfs/dbraw/zinc/10/33/14/1204103314.db2.gz OFUKRQVPIVPFDV-UHFFFAOYSA-N 0 3 321.490 3.074 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001725173221 1204110588 /nfs/dbraw/zinc/11/05/88/1204110588.db2.gz AUSAIQTYNALRQC-HOTGVXAUSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001725176915 1204111408 /nfs/dbraw/zinc/11/14/08/1204111408.db2.gz BCZKXZUSMRPPIW-AEFFLSMTSA-N 0 3 302.462 3.124 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C#CC(C)(C)C)CCCCC1 ZINC001725223047 1204121650 /nfs/dbraw/zinc/12/16/50/1204121650.db2.gz LVRFONBVBQSYSM-UHFFFAOYSA-N 0 3 310.869 3.197 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(CC)CC)C[C@H]2C1 ZINC001725327087 1204137104 /nfs/dbraw/zinc/13/71/04/1204137104.db2.gz APKBBKQDEPRBAX-HRCADAONSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCC3CC3)C[C@@H]2C1 ZINC001725328939 1204137226 /nfs/dbraw/zinc/13/72/26/1204137226.db2.gz DEDWCGPNMHEKHD-ARFHVFGLSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCCC#CC)C[C@H]2C1 ZINC001725331891 1204137371 /nfs/dbraw/zinc/13/73/71/1204137371.db2.gz AZRYLZWLOWMRFS-ULQDDVLXSA-N 0 3 322.880 3.149 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001725556487 1204166938 /nfs/dbraw/zinc/16/69/38/1204166938.db2.gz MYCOCJXWWQKQFF-IEBWSBKVSA-N 0 3 312.457 3.053 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001725576166 1204170318 /nfs/dbraw/zinc/17/03/18/1204170318.db2.gz SACVDZHSTKNQRK-KBPBESRZSA-N 0 3 319.474 3.279 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H](NCc2ccc(Cl)s2)C[C@@H]1C ZINC001725587649 1204172629 /nfs/dbraw/zinc/17/26/29/1204172629.db2.gz NXOZTLVEKMXWNG-STQMWFEESA-N 0 3 324.877 3.284 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001725593656 1204174848 /nfs/dbraw/zinc/17/48/48/1204174848.db2.gz MUSKSEHVSYAXRD-UKRRQHHQSA-N 0 3 322.399 3.400 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCN(CCc2ccccc2F)[C@H]1C ZINC001725626890 1204184449 /nfs/dbraw/zinc/18/44/49/1204184449.db2.gz ASUOOLCRLXNWQY-YJBOKZPZSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNCc2nc(C)sc2C)C1 ZINC001725631111 1204186102 /nfs/dbraw/zinc/18/61/02/1204186102.db2.gz NIRROFGQPZYKLE-LSDHHAIUSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cccs2)[C@@H]1C ZINC001725645249 1204190305 /nfs/dbraw/zinc/19/03/05/1204190305.db2.gz ZFJNBSGSQPLXSW-GOEBONIOSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)C(C)C ZINC001725733024 1204204489 /nfs/dbraw/zinc/20/44/89/1204204489.db2.gz LXZSJTVBAUHNIN-QGZVFWFLSA-N 0 3 318.461 3.117 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)C(C)C ZINC001725733160 1204205177 /nfs/dbraw/zinc/20/51/77/1204205177.db2.gz POHXKHAONAYVFB-INIZCTEOSA-N 0 3 320.452 3.359 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cnoc1C)C(C)(C)C ZINC001725743576 1204209914 /nfs/dbraw/zinc/20/99/14/1204209914.db2.gz HPPZKUGXXOIIEA-OAHLLOKOSA-N 0 3 321.465 3.206 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(N[C@H](C)c2ccccc2F)C1 ZINC001725773186 1204218023 /nfs/dbraw/zinc/21/80/23/1204218023.db2.gz GKTPBJRQWMTRCW-WLYUNCDWSA-N 0 3 304.409 3.432 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C1CCN(Cc2ccccn2)CC1 ZINC001725770081 1204218095 /nfs/dbraw/zinc/21/80/95/1204218095.db2.gz QPXFBSQQIZDAAE-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCCC(=O)N(C)C1CC(NCc2c(C)nsc2C)C1 ZINC001725784259 1204221548 /nfs/dbraw/zinc/22/15/48/1204221548.db2.gz TZAGUBMHUSCCIZ-UHFFFAOYSA-N 0 3 321.490 3.195 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC2)CC1 ZINC001725794513 1204223596 /nfs/dbraw/zinc/22/35/96/1204223596.db2.gz LDDFCRRLRJDELQ-JKSUJKDBSA-N 0 3 318.505 3.299 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(C)Cc2cc(F)cc(F)c2)C1 ZINC001731264893 1204356016 /nfs/dbraw/zinc/35/60/16/1204356016.db2.gz AOMIAHLGVMTBKF-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C#CCN(C)CCCNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001731286780 1204362415 /nfs/dbraw/zinc/36/24/15/1204362415.db2.gz OIDHYDGLAVSRSX-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC001731298166 1204366570 /nfs/dbraw/zinc/36/65/70/1204366570.db2.gz WDWQEGCGQFGZJH-RDJZCZTQSA-N 0 3 320.864 3.341 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)C1CC1 ZINC001731341319 1204377820 /nfs/dbraw/zinc/37/78/20/1204377820.db2.gz SOSKJGDWZNVJNI-IRXDYDNUSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001731463663 1204421659 /nfs/dbraw/zinc/42/16/59/1204421659.db2.gz UXOGPRFHENOXNY-FJORSRCTSA-N 0 3 310.869 3.453 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001731482659 1204426911 /nfs/dbraw/zinc/42/69/11/1204426911.db2.gz FYAHSGARMZYTFT-KFWWJZLASA-N 0 3 321.490 3.099 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001731487956 1204429149 /nfs/dbraw/zinc/42/91/49/1204429149.db2.gz JSDGMZRAKXCLNK-IXDOHACOSA-N 0 3 320.864 3.416 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001731549652 1204456555 /nfs/dbraw/zinc/45/65/55/1204456555.db2.gz BHDFVSIAVCBZRR-IAGOWNOFSA-N 0 3 302.462 3.067 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCCC(C)C)C1 ZINC001731560337 1204461511 /nfs/dbraw/zinc/46/15/11/1204461511.db2.gz VRGYBRBOTRKERF-MSOLQXFVSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001731560752 1204461774 /nfs/dbraw/zinc/46/17/74/1204461774.db2.gz BGSGEZOEOPRWLU-PVDKOQPISA-N 0 3 324.468 3.248 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCc1ccc(OC)c(F)c1 ZINC001731610721 1204481435 /nfs/dbraw/zinc/48/14/35/1204481435.db2.gz JFBDJPZNMDTJOC-ZDUSSCGKSA-N 0 3 322.424 3.031 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001731638573 1204493140 /nfs/dbraw/zinc/49/31/40/1204493140.db2.gz CFECAMIIXGFICO-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001731669839 1204499677 /nfs/dbraw/zinc/49/96/77/1204499677.db2.gz WXTLNCJARSVSHP-GKWYLQRDSA-N 0 3 317.260 3.100 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC001731709894 1204514036 /nfs/dbraw/zinc/51/40/36/1204514036.db2.gz ATLOIZSXJWJWNM-KRWDZBQOSA-N 0 3 324.468 3.298 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC001731711884 1204515365 /nfs/dbraw/zinc/51/53/65/1204515365.db2.gz PUUJVXRVQNHKBS-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CCCc1ccccc1Cl ZINC001731773401 1204548740 /nfs/dbraw/zinc/54/87/40/1204548740.db2.gz VZJKUVIQEYFPEV-UHFFFAOYSA-N 0 3 308.853 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001731782806 1204553944 /nfs/dbraw/zinc/55/39/44/1204553944.db2.gz XLTJOVHCHIBWQZ-AWEZNQCLSA-N 0 3 304.434 3.016 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001731820238 1204584609 /nfs/dbraw/zinc/58/46/09/1204584609.db2.gz MKSJTPXHJHELLI-QGZVFWFLSA-N 0 3 318.486 3.331 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001731837925 1204595349 /nfs/dbraw/zinc/59/53/49/1204595349.db2.gz VQTDEYXVFPQCDH-ZCYBBYNQSA-N 0 3 316.489 3.360 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC001731845602 1204599703 /nfs/dbraw/zinc/59/97/03/1204599703.db2.gz HFPMXPGEYGWAKY-QPGLYAHGSA-N 0 3 324.468 3.187 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC001731845601 1204599967 /nfs/dbraw/zinc/59/99/67/1204599967.db2.gz HFPMXPGEYGWAKY-KWEPMOPPSA-N 0 3 324.468 3.187 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1csc2c1CCCC2 ZINC001731874130 1204617404 /nfs/dbraw/zinc/61/74/04/1204617404.db2.gz XCMXJBMIJCVJCX-UHFFFAOYSA-N 0 3 318.486 3.092 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc2ccc(C)nc21)C1CC1 ZINC001731877274 1204618695 /nfs/dbraw/zinc/61/86/95/1204618695.db2.gz DRDKNUCMPNXBIV-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001732073318 1204679579 /nfs/dbraw/zinc/67/95/79/1204679579.db2.gz PLVYSLIVPJDWJM-WCLQSUPFSA-N 0 3 310.869 3.288 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC(C)C)CCC1 ZINC001732144069 1204711489 /nfs/dbraw/zinc/71/14/89/1204711489.db2.gz JPINMIMRSHOIGM-IRXDYDNUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C(F)(F)F ZINC001732150096 1204714555 /nfs/dbraw/zinc/71/45/55/1204714555.db2.gz OTPYCZDJOPBSER-STQMWFEESA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001732154492 1204717205 /nfs/dbraw/zinc/71/72/05/1204717205.db2.gz OHMBAOJRNICURJ-GOSISDBHSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl)CCC1 ZINC001732363000 1204805534 /nfs/dbraw/zinc/80/55/34/1204805534.db2.gz SASVQMPRWZZJJP-OXBCTQFSSA-N 0 3 319.276 3.394 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1oc(C)cc1C)C1CC1 ZINC001732239813 1204766335 /nfs/dbraw/zinc/76/63/35/1204766335.db2.gz GVQMOUZVMIENET-MRXNPFEDSA-N 0 3 310.825 3.137 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1cccc(Cl)n1)C1CC1 ZINC001732238907 1204766342 /nfs/dbraw/zinc/76/63/42/1204766342.db2.gz BYXLGMMXWMQWLF-QGZVFWFLSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(CF)cc1)C1CC1 ZINC001732251776 1204770565 /nfs/dbraw/zinc/77/05/65/1204770565.db2.gz BMFDAOIIWHGVNT-KRWDZBQOSA-N 0 3 324.827 3.397 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001732280715 1204778533 /nfs/dbraw/zinc/77/85/33/1204778533.db2.gz LWUGQIIJTODTJF-QGUORLBXSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC001732316741 1204788746 /nfs/dbraw/zinc/78/87/46/1204788746.db2.gz DCDSVXNIKAVTGD-WOJBJXKFSA-N 0 3 324.468 3.242 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2coc3ccccc23)cc1 ZINC001732317722 1204789581 /nfs/dbraw/zinc/78/95/81/1204789581.db2.gz AHHYHCUNSKSKMZ-UHFFFAOYSA-N 0 3 318.376 3.086 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCc2cncc(C)c2)CC1 ZINC001732436875 1204840951 /nfs/dbraw/zinc/84/09/51/1204840951.db2.gz ONHOWPPRJVWJAM-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001732437261 1204841050 /nfs/dbraw/zinc/84/10/50/1204841050.db2.gz QBSKIHITBDMFGA-RISCZKNCSA-N 0 3 307.265 3.344 20 30 DGEDHN C=CCCC(=O)N1CCC(CCN(C)Cc2conc2C)CC1 ZINC001732545320 1204887688 /nfs/dbraw/zinc/88/76/88/1204887688.db2.gz CGKFVQAHMVDBMA-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)C(CC)CC)C(C)C ZINC001732552928 1204892738 /nfs/dbraw/zinc/89/27/38/1204892738.db2.gz ASYXJDPSHGXQBL-CYBMUJFWSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(OC)c1C)C(C)C ZINC001732568761 1204900620 /nfs/dbraw/zinc/90/06/20/1204900620.db2.gz DXZJHFQMSOHATF-OAHLLOKOSA-N 0 3 324.852 3.100 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)c1ccccc1)C(C)C ZINC001732571663 1204901551 /nfs/dbraw/zinc/90/15/51/1204901551.db2.gz JPJTWQYYCBCITA-GDBMZVCRSA-N 0 3 308.853 3.273 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)CCc1cccs1 ZINC001732582416 1204907930 /nfs/dbraw/zinc/90/79/30/1204907930.db2.gz LXEQUBDAXKLSCU-UHFFFAOYSA-N 0 3 308.491 3.283 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(CC(C)C)cc1 ZINC001732585895 1204910027 /nfs/dbraw/zinc/91/00/27/1204910027.db2.gz HRHOAMABSBEXKG-UHFFFAOYSA-N 0 3 316.489 3.394 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)Cc2ccc(CF)cc2)C1 ZINC001732592469 1204913940 /nfs/dbraw/zinc/91/39/40/1204913940.db2.gz KXFBKSSVDIEIOK-UHFFFAOYSA-N 0 3 318.436 3.403 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)CCN(C)Cc2ccc(CC)cc2)C1 ZINC001732593193 1204914788 /nfs/dbraw/zinc/91/47/88/1204914788.db2.gz UWNWJPGDIQHKHL-UHFFFAOYSA-N 0 3 314.473 3.496 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2scnc21 ZINC001732691464 1204929891 /nfs/dbraw/zinc/92/98/91/1204929891.db2.gz AACPELYMQLSTCM-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CCNCc1c(F)cccc1Cl ZINC001732692251 1204930042 /nfs/dbraw/zinc/93/00/42/1204930042.db2.gz CLRLMPIJQVSVMF-CYBMUJFWSA-N 0 3 324.827 3.123 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1ccc(F)cc1 ZINC001732907075 1204957975 /nfs/dbraw/zinc/95/79/75/1204957975.db2.gz PQZJTWDFOGWQKA-AATRIKPKSA-N 0 3 304.409 3.190 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733031043 1204988140 /nfs/dbraw/zinc/98/81/40/1204988140.db2.gz QVLLGXOGHUONQF-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001733067647 1205015716 /nfs/dbraw/zinc/01/57/16/1205015716.db2.gz MNGNGLPNCGSNHG-HUUCEWRRSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001733076742 1205019569 /nfs/dbraw/zinc/01/95/69/1205019569.db2.gz HNFKDNTUQRQQKT-GDBMZVCRSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001733213609 1205047102 /nfs/dbraw/zinc/04/71/02/1205047102.db2.gz FXGAERKZUXQTMN-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001733215681 1205048524 /nfs/dbraw/zinc/04/85/24/1205048524.db2.gz ZJHUAHMTZFORCH-GOSISDBHSA-N 0 3 315.461 3.249 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)CC(C1CCC1)C1CCC1 ZINC001733227352 1205056363 /nfs/dbraw/zinc/05/63/63/1205056363.db2.gz XQKJYUHBZQZTJV-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001733232733 1205061137 /nfs/dbraw/zinc/06/11/37/1205061137.db2.gz IVUFESFAAGBELJ-WBMJQRKESA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001733235872 1205061678 /nfs/dbraw/zinc/06/16/78/1205061678.db2.gz FDGALOHMJOFVKM-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001733251257 1205068965 /nfs/dbraw/zinc/06/89/65/1205068965.db2.gz SBANIDQAHNXFTO-UHFFFAOYSA-N 0 3 315.461 3.039 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)CCC(C)(C)C)C2)CC1 ZINC001733294241 1205086077 /nfs/dbraw/zinc/08/60/77/1205086077.db2.gz YOYXAVOZDFHSJJ-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2ccc(C)cc2C)CC1 ZINC001733359365 1205105036 /nfs/dbraw/zinc/10/50/36/1205105036.db2.gz CPRRTQGMCIBTIS-UHFFFAOYSA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001733414130 1205124860 /nfs/dbraw/zinc/12/48/60/1205124860.db2.gz YICJSSFMDUFKTE-IBGZPJMESA-N 0 3 300.446 3.003 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2(CC(C)C)CCC2)CC1 ZINC001733450562 1205136781 /nfs/dbraw/zinc/13/67/81/1205136781.db2.gz LGGOBTXGCSEEJG-UHFFFAOYSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001733463769 1205145240 /nfs/dbraw/zinc/14/52/40/1205145240.db2.gz SVGCVBKAFXLSFC-FQEVSTJZSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccccc2Cl)C1 ZINC001733464275 1205145454 /nfs/dbraw/zinc/14/54/54/1205145454.db2.gz VUCCSHARXDQDAA-GOSISDBHSA-N 0 3 320.864 3.287 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)ccc2F)C1 ZINC001733465419 1205146169 /nfs/dbraw/zinc/14/61/69/1205146169.db2.gz LRORJKIONRXXTI-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001733465304 1205146730 /nfs/dbraw/zinc/14/67/30/1205146730.db2.gz ZWCJPJYCTZDCDT-KRWDZBQOSA-N 0 3 324.827 3.497 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccsc2Cl)C1 ZINC001733465974 1205146812 /nfs/dbraw/zinc/14/68/12/1205146812.db2.gz SZSLOVODTIEKJY-INIZCTEOSA-N 0 3 324.877 3.257 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001733469577 1205147815 /nfs/dbraw/zinc/14/78/15/1205147815.db2.gz XONAQNKSPZJIMD-ZZVGESKWSA-N 0 3 316.489 3.054 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC=CCCC1 ZINC001733571259 1205166052 /nfs/dbraw/zinc/16/60/52/1205166052.db2.gz KUWWNODSXNLHNR-FQEVSTJZSA-N 0 3 324.468 3.375 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001733573516 1205166181 /nfs/dbraw/zinc/16/61/81/1205166181.db2.gz YFMYCZDKMMEVPC-VQTJNVASSA-N 0 3 324.468 3.064 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCCCC)C[C@@H]2C1 ZINC001733578733 1205167937 /nfs/dbraw/zinc/16/79/37/1205167937.db2.gz HXPQLSNYWCMTGZ-OKZBNKHCSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2ccc(F)cc2F)C1 ZINC001733639030 1205175452 /nfs/dbraw/zinc/17/54/52/1205175452.db2.gz ATQZDPDMXQJPFU-CQSZACIVSA-N 0 3 322.399 3.259 20 30 DGEDHN CC(=O)NCc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC001733681024 1205183673 /nfs/dbraw/zinc/18/36/73/1205183673.db2.gz RRUWQQKDLGQNPG-OAHLLOKOSA-N 0 3 324.399 3.164 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cc[nH]c2CC)cc1 ZINC001733682358 1205184085 /nfs/dbraw/zinc/18/40/85/1205184085.db2.gz RJKAENPDIHLZCS-OAHLLOKOSA-N 0 3 323.440 3.181 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)cc(F)c2)cc1 ZINC001733685090 1205184520 /nfs/dbraw/zinc/18/45/20/1205184520.db2.gz UKWGKAKQZVYTOX-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001733686205 1205185293 /nfs/dbraw/zinc/18/52/93/1205185293.db2.gz KPDXVSDTJGVOAN-SHTZXODSSA-N 0 3 321.490 3.264 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C2)CC1 ZINC001733694940 1205188115 /nfs/dbraw/zinc/18/81/15/1205188115.db2.gz NIETUIMFQWTWFU-SJORKVTESA-N 0 3 318.505 3.252 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc(C(F)F)ccc2F)CCC1 ZINC001733716194 1205192220 /nfs/dbraw/zinc/19/22/20/1205192220.db2.gz DSZILHKZHGCKNB-UHFFFAOYSA-N 0 3 324.346 3.029 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001733810588 1205224241 /nfs/dbraw/zinc/22/42/41/1205224241.db2.gz KRJLTUXMRSLJDS-LJQANCHMSA-N 0 3 324.468 3.296 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)COCCC)cc2C1 ZINC001733834525 1205227838 /nfs/dbraw/zinc/22/78/38/1205227838.db2.gz VRUZHPIJWUADHH-UHFFFAOYSA-N 0 3 316.445 3.011 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cccc(Cl)n2)C1 ZINC001733846694 1205229822 /nfs/dbraw/zinc/22/98/22/1205229822.db2.gz MQKZUQGPBYJFLY-HIFRSBDPSA-N 0 3 321.852 3.028 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001733892288 1205241903 /nfs/dbraw/zinc/24/19/03/1205241903.db2.gz CTPCYYTZOVNAPG-XHGSAQPOSA-N 0 3 324.468 3.328 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCC2CCCCCC2)C[C@H]1C ZINC001733897021 1205244907 /nfs/dbraw/zinc/24/49/07/1205244907.db2.gz DHIKHLCXJCGYCZ-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001733898211 1205245921 /nfs/dbraw/zinc/24/59/21/1205245921.db2.gz HXPOVKHMVZCLSU-RHSMWYFYSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001733901733 1205246750 /nfs/dbraw/zinc/24/67/50/1205246750.db2.gz RZWLJPHHTNPEBU-FUHWJXTLSA-N 0 3 315.461 3.215 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC=C ZINC001733908285 1205251711 /nfs/dbraw/zinc/25/17/11/1205251711.db2.gz SHTGWVJRQSDSQI-HXUWFJFHSA-N 0 3 324.468 3.472 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2nccc(C)c2c1 ZINC001733930713 1205260737 /nfs/dbraw/zinc/26/07/37/1205260737.db2.gz YJFSXUFNVYXPRP-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C(C)C)oc1C ZINC001733938412 1205265788 /nfs/dbraw/zinc/26/57/88/1205265788.db2.gz PUKOYVQCOBLZRK-OAHLLOKOSA-N 0 3 304.434 3.434 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C(C)C)oc1C ZINC001733938411 1205265948 /nfs/dbraw/zinc/26/59/48/1205265948.db2.gz PUKOYVQCOBLZRK-HNNXBMFYSA-N 0 3 304.434 3.434 20 30 DGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cc2ccccc2o1 ZINC001733966646 1205273934 /nfs/dbraw/zinc/27/39/34/1205273934.db2.gz UMYBFVGHBADKJN-ZIAGYGMSSA-N 0 3 300.402 3.382 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(Cl)nc2)C1 ZINC001733988116 1205279687 /nfs/dbraw/zinc/27/96/87/1205279687.db2.gz MORVBMQBXAHGMY-CHWSQXEVSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2ccc(Cl)nc2)C1 ZINC001733988122 1205279934 /nfs/dbraw/zinc/27/99/34/1205279934.db2.gz MORVBMQBXAHGMY-QWHCGFSZSA-N 0 3 321.852 3.074 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)[C@@H](C)c1cccc(F)c1 ZINC001734035510 1205297800 /nfs/dbraw/zinc/29/78/00/1205297800.db2.gz OTQQCQOWXKXGHQ-CABCVRRESA-N 0 3 318.436 3.373 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1cccc(C(F)F)c1 ZINC001734034840 1205297907 /nfs/dbraw/zinc/29/79/07/1205297907.db2.gz TTZSXNXWPSOMBX-AWEZNQCLSA-N 0 3 322.399 3.364 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001734045223 1205301845 /nfs/dbraw/zinc/30/18/45/1205301845.db2.gz SRKJDEZHRUMDSA-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(CF)cc1 ZINC001734052531 1205306685 /nfs/dbraw/zinc/30/66/85/1205306685.db2.gz ZQXGDAZONJXXEB-INIZCTEOSA-N 0 3 318.436 3.286 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001734122549 1205329841 /nfs/dbraw/zinc/32/98/41/1205329841.db2.gz PLMDXYPPNHBSOD-SJORKVTESA-N 0 3 312.457 3.378 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001734124799 1205330412 /nfs/dbraw/zinc/33/04/12/1205330412.db2.gz AQFIAJSHVICQBH-JKSUJKDBSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cccs2)C(C)(C)C1 ZINC001734152755 1205336719 /nfs/dbraw/zinc/33/67/19/1205336719.db2.gz DEIQLQXNHHXPOK-OAHLLOKOSA-N 0 3 306.475 3.083 20 30 DGEDHN C[C@H](CN(C)C(=O)CCC1(C)CC1)NCC#Cc1ccccc1 ZINC001734348227 1205368963 /nfs/dbraw/zinc/36/89/63/1205368963.db2.gz AOOMKAXDXMVMSL-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cnc(C)s2)CCC1 ZINC001734346925 1205368970 /nfs/dbraw/zinc/36/89/70/1205368970.db2.gz YAVMXPCQBRHQDY-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@@H]1C ZINC001734397293 1205372388 /nfs/dbraw/zinc/37/23/88/1205372388.db2.gz ALQAKFIBHCAVRA-WMLDXEAASA-N 0 3 318.848 3.223 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3ccsc32)C1 ZINC001734425549 1205375709 /nfs/dbraw/zinc/37/57/09/1205375709.db2.gz JDYGJOUKAFUOGP-ZFWWWQNUSA-N 0 3 312.438 3.117 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C=C)c3ccccc3)CCC[C@H]12 ZINC001734447565 1205378635 /nfs/dbraw/zinc/37/86/35/1205378635.db2.gz ZSHOYDYGMIAACU-SLYNCCJLSA-N 0 3 322.452 3.093 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001734454073 1205379947 /nfs/dbraw/zinc/37/99/47/1205379947.db2.gz BWLWDWMXUAIXKZ-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cc(C)ns2)C(C)(C)C1 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DGEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC001113566331 1082252554 /nfs/dbraw/zinc/25/25/54/1082252554.db2.gz QGOFEQORFODHKV-DLBZAZTESA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2cccs2)CC1 ZINC001113619430 1082266659 /nfs/dbraw/zinc/26/66/59/1082266659.db2.gz YBJXIYNDXJMHMG-OAHLLOKOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccc(C)o2)CC1 ZINC001113676608 1082276415 /nfs/dbraw/zinc/27/64/15/1082276415.db2.gz YTLXFQQQYNUCEF-OAHLLOKOSA-N 0 3 304.434 3.020 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccc(C)o2)CC1 ZINC001113676607 1082277115 /nfs/dbraw/zinc/27/71/15/1082277115.db2.gz YTLXFQQQYNUCEF-HNNXBMFYSA-N 0 3 304.434 3.020 20 30 DGEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cocc2C)C1 ZINC001086604317 1082278231 /nfs/dbraw/zinc/27/82/31/1082278231.db2.gz XKBZDNDHKXOVPU-PKOBYXMFSA-N 0 3 324.424 3.362 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001266933170 1082352941 /nfs/dbraw/zinc/35/29/41/1082352941.db2.gz MKPSJWABUKVCQB-OLZOCXBDSA-N 0 3 324.827 3.438 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001480906578 1082376909 /nfs/dbraw/zinc/37/69/09/1082376909.db2.gz CFVRCPIQCAFVPW-IEBWSBKVSA-N 0 3 318.436 3.463 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211532468 1082429631 /nfs/dbraw/zinc/42/96/31/1082429631.db2.gz UDPQRXWRPDRWEG-ZWKOTPCHSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211549662 1082564733 /nfs/dbraw/zinc/56/47/33/1082564733.db2.gz KSFZHFMCKXHERS-CZPJPAAGSA-N 0 3 318.848 3.289 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccsc1 ZINC001267162453 1082585686 /nfs/dbraw/zinc/58/56/86/1082585686.db2.gz WOJRGZUSZFCXTN-AWEZNQCLSA-N 0 3 312.866 3.475 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@H](C)SC ZINC001267164397 1082588013 /nfs/dbraw/zinc/58/80/13/1082588013.db2.gz DXFGUUXIYVNTNT-UONOGXRCSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001267210924 1082643426 /nfs/dbraw/zinc/64/34/26/1082643426.db2.gz NBOMXFUPFNORDD-KSSFIOAISA-N 0 3 318.436 3.463 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001086666024 1082664322 /nfs/dbraw/zinc/66/43/22/1082664322.db2.gz WSQOYSJWMRXHRI-ZVDSWSACSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CN(C)CCOC(C)C ZINC001158377786 1082680014 /nfs/dbraw/zinc/68/00/14/1082680014.db2.gz PHFBEBIDXDDLGM-ZWKOTPCHSA-N 0 3 324.509 3.327 20 30 DGEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccccc1C(C)C ZINC001267240907 1082688114 /nfs/dbraw/zinc/68/81/14/1082688114.db2.gz CONLATRXSMXZCW-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN C[C@H](CC(C)(C)C)C(=O)NCCCNCc1ccccc1C#N ZINC001167665352 1082690334 /nfs/dbraw/zinc/69/03/34/1082690334.db2.gz ZZFIEIJBMHGNLA-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCN1CCC(NC(=O)c2c(CC)oc3ccccc32)CC1 ZINC000178887443 1082717901 /nfs/dbraw/zinc/71/79/01/1082717901.db2.gz HZVIJBDHPMVUAX-UHFFFAOYSA-N 0 3 312.413 3.375 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001267277812 1082739437 /nfs/dbraw/zinc/73/94/37/1082739437.db2.gz BPTNEGXRDXHUCC-FCEWJHQRSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1c1ccccc1 ZINC001211593446 1082745067 /nfs/dbraw/zinc/74/50/67/1082745067.db2.gz XODLOLMCIVRSPH-VQTJNVASSA-N 0 3 322.452 3.094 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCc1cc(C)sc1C ZINC001267283909 1082747522 /nfs/dbraw/zinc/74/75/22/1082747522.db2.gz TZMFUEHJULEVAV-QGZVFWFLSA-N 0 3 320.502 3.454 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131900114 1082757898 /nfs/dbraw/zinc/75/78/98/1082757898.db2.gz TURYIYFWLXQESB-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001131996326 1082788608 /nfs/dbraw/zinc/78/86/08/1082788608.db2.gz SUXFFIWUASJBNR-IEBWSBKVSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001132003721 1082792015 /nfs/dbraw/zinc/79/20/15/1082792015.db2.gz ZCXZYDKSSOAHQX-QWHCGFSZSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCN(CCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC001267327866 1082800381 /nfs/dbraw/zinc/80/03/81/1082800381.db2.gz CMJHTFQJUTWECZ-QWHCGFSZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132061081 1082805002 /nfs/dbraw/zinc/80/50/02/1082805002.db2.gz OWFFPMKLEOMQMQ-JKSUJKDBSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132072780 1082808386 /nfs/dbraw/zinc/80/83/86/1082808386.db2.gz OKHPQYWBNUHPQB-SJORKVTESA-N 0 3 310.482 3.129 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CC=C(C)C)C2)CCC1 ZINC001132102511 1082817561 /nfs/dbraw/zinc/81/75/61/1082817561.db2.gz WSSHYJCFGOHINU-SJORKVTESA-N 0 3 302.462 3.115 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)/C=C/c1ccc[nH]1)c1ccccc1 ZINC001267357303 1082829241 /nfs/dbraw/zinc/82/92/41/1082829241.db2.gz MIOAMBPSHLMFDD-DOJUMQAQSA-N 0 3 309.413 3.051 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cccc(CC)n1)c1ccccc1 ZINC001267363127 1082835200 /nfs/dbraw/zinc/83/52/00/1082835200.db2.gz ZNUMXTVDIOGZCA-LJQANCHMSA-N 0 3 323.440 3.281 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001267365292 1082835995 /nfs/dbraw/zinc/83/59/95/1082835995.db2.gz SWXMYAKIOPWEPX-OAHLLOKOSA-N 0 3 304.409 3.128 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOCCCC)C1 ZINC001132221155 1082845922 /nfs/dbraw/zinc/84/59/22/1082845922.db2.gz CLOZDICBSKKFKQ-IRXDYDNUSA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132241043 1082856801 /nfs/dbraw/zinc/85/68/01/1082856801.db2.gz POSOLVJGMNPHMH-JKSUJKDBSA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC2CCC2)C1 ZINC001132256334 1082860052 /nfs/dbraw/zinc/86/00/52/1082860052.db2.gz MKKCNFRRKFSBFM-SJLPKXTDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001132302344 1082871608 /nfs/dbraw/zinc/87/16/08/1082871608.db2.gz PUTSVRCPBIJHCT-UHFFFAOYSA-N 0 3 312.816 3.287 20 30 DGEDHN CCCCCCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCO)C1 ZINC001132442264 1082912450 /nfs/dbraw/zinc/91/24/50/1082912450.db2.gz YELWIFRBHHNSGM-IAGOWNOFSA-N 0 3 312.498 3.089 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CC2CC(F)(F)C2)C1 ZINC001267465842 1082917162 /nfs/dbraw/zinc/91/71/62/1082917162.db2.gz JSJPCYXJVWSSAU-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccccc1C ZINC001087270295 1082917247 /nfs/dbraw/zinc/91/72/47/1082917247.db2.gz XUTOIONGDZYSFI-CEXWTWQISA-N 0 3 324.468 3.237 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCOc2ccccc2)CC[C@@H]1C ZINC001132464228 1082918144 /nfs/dbraw/zinc/91/81/44/1082918144.db2.gz PHGGZPWVLBEMEV-IRXDYDNUSA-N 0 3 316.445 3.001 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC3CCCC3)C(C)(C)[C@H]21 ZINC001087271336 1082918739 /nfs/dbraw/zinc/91/87/39/1082918739.db2.gz QLCLMHDDWUMCEM-NEWSRXKRSA-N 0 3 316.489 3.195 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCOC)C2)CCCCC1 ZINC001132508291 1082930389 /nfs/dbraw/zinc/93/03/89/1082930389.db2.gz GVCCWPDIQOCQPC-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(C)o2)CC[C@H]1C ZINC001132513165 1082932130 /nfs/dbraw/zinc/93/21/30/1082932130.db2.gz PHFRCFIKWASMMD-ZBFHGGJFSA-N 0 3 304.434 3.066 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CCOC)CCCC2)CC[C@@H]1C ZINC001132524205 1082934018 /nfs/dbraw/zinc/93/40/18/1082934018.db2.gz FNNGDLOPASZXTE-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087284738 1082944501 /nfs/dbraw/zinc/94/45/01/1082944501.db2.gz NBXRKNOAURFPSQ-ZACQAIPSSA-N 0 3 316.489 3.051 20 30 DGEDHN CC#CCCCC(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001132605231 1082954477 /nfs/dbraw/zinc/95/44/77/1082954477.db2.gz GLWSREHNWKSJHN-ZDUSSCGKSA-N 0 3 324.827 3.440 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC(C)(C)C1 ZINC001087302238 1082972157 /nfs/dbraw/zinc/97/21/57/1082972157.db2.gz PNBVKEUOHLBMOT-BPQIPLTHSA-N 0 3 316.489 3.051 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001132652993 1082972911 /nfs/dbraw/zinc/97/29/11/1082972911.db2.gz BHBHFKXMMARIQL-YVEFUNNKSA-N 0 3 322.399 3.260 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1(C(F)F)CCCC1)c1ccccc1 ZINC001267520611 1082980163 /nfs/dbraw/zinc/98/01/63/1082980163.db2.gz RHSWBMFGEHZIBC-HNNXBMFYSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)c1ccsc1)c1ccccc1 ZINC001267523973 1082984513 /nfs/dbraw/zinc/98/45/13/1082984513.db2.gz ZZSPLXXNLZVEPT-RHSMWYFYSA-N 0 3 314.454 3.485 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)cc(C)c3)C(C)(C)[C@H]21 ZINC001087315325 1082985745 /nfs/dbraw/zinc/98/57/45/1082985745.db2.gz ZRURTDXHAHXDNX-QRVBRYPASA-N 0 3 324.468 3.155 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C2CC2)C2CC2)CC1 ZINC001167691615 1082987338 /nfs/dbraw/zinc/98/73/38/1082987338.db2.gz WRADARXUGBITFI-UHFFFAOYSA-N 0 3 310.869 3.051 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001111941216 1082987392 /nfs/dbraw/zinc/98/73/92/1082987392.db2.gz JXXDEYMRTOHJJC-LNLFQRSKSA-N 0 3 322.468 3.452 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(CC)cc3)C(C)(C)[C@H]21 ZINC001087315948 1082987625 /nfs/dbraw/zinc/98/76/25/1082987625.db2.gz KNWDWFIULYOXRN-QYZOEREBSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccsc2C)C1 ZINC001086692650 1082988927 /nfs/dbraw/zinc/98/89/27/1082988927.db2.gz JSHVIAJHIDJSIG-QWHCGFSZSA-N 0 3 312.866 3.297 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ncoc1C(C)C)c1ccccc1 ZINC001267526462 1082989192 /nfs/dbraw/zinc/98/91/92/1082989192.db2.gz UPHPMQLPGXRBMU-HNNXBMFYSA-N 0 3 313.401 3.045 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC001267526814 1082989327 /nfs/dbraw/zinc/98/93/27/1082989327.db2.gz XTRZWLUPWYAFIV-GOSISDBHSA-N 0 3 312.388 3.001 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 ZINC001267526642 1082989466 /nfs/dbraw/zinc/98/94/66/1082989466.db2.gz RUNGDHIWTGYADI-WXDAQCLHSA-N 0 3 324.468 3.283 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)cc1OC)c1ccccc1 ZINC001267526820 1082989576 /nfs/dbraw/zinc/98/95/76/1082989576.db2.gz XWBXXZVYJPSHLB-GOSISDBHSA-N 0 3 324.424 3.250 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CC2CC(OCC)C2)C1 ZINC001267547378 1083018176 /nfs/dbraw/zinc/01/81/76/1083018176.db2.gz WYICKHSUWAHIED-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001283663918 1083057105 /nfs/dbraw/zinc/05/71/05/1083057105.db2.gz HOEIHIUIDLWRDZ-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN CCN(CCNC(=O)C(C)(C)C(C)C)Cc1cccc(C#N)c1 ZINC001480977523 1083058067 /nfs/dbraw/zinc/05/80/67/1083058067.db2.gz UQJZJJHKIUIYMX-UHFFFAOYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1cc2ccccc2o1 ZINC001133378755 1083109976 /nfs/dbraw/zinc/10/99/76/1083109976.db2.gz MHFGFQRNVJGMEM-SFHVURJKSA-N 0 3 300.402 3.241 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001133380811 1083110512 /nfs/dbraw/zinc/11/05/12/1083110512.db2.gz PFQYYINBRXUSKQ-SJKOYZFVSA-N 0 3 310.388 3.334 20 30 DGEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC1CC1 ZINC001133382519 1083111637 /nfs/dbraw/zinc/11/16/37/1083111637.db2.gz MRZKMFJMPMHDLG-UHFFFAOYSA-N 0 3 318.848 3.082 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)C=C ZINC001133403902 1083115803 /nfs/dbraw/zinc/11/58/03/1083115803.db2.gz OMXYBXDWFNKOKD-UHFFFAOYSA-N 0 3 318.848 3.104 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)C(C)C ZINC001133405504 1083115950 /nfs/dbraw/zinc/11/59/50/1083115950.db2.gz AZPNROBRRARCII-HNNXBMFYSA-N 0 3 320.864 3.184 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001267590860 1083117287 /nfs/dbraw/zinc/11/72/87/1083117287.db2.gz XLGOELRJXOVGCT-ZDUSSCGKSA-N 0 3 306.372 3.075 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001167704947 1083120449 /nfs/dbraw/zinc/12/04/49/1083120449.db2.gz CZXFHKZZBPFVQA-AWEZNQCLSA-N 0 3 312.885 3.441 20 30 DGEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)CCC=C)C1 ZINC001267596215 1083127640 /nfs/dbraw/zinc/12/76/40/1083127640.db2.gz MRYXZVLQGIMCSP-HXUWFJFHSA-N 0 3 324.468 3.469 20 30 DGEDHN C=C[C@H](CC(=O)N1CC[C@H](CN(C)CCF)C1)c1ccccc1 ZINC001267596600 1083128470 /nfs/dbraw/zinc/12/84/70/1083128470.db2.gz NMSHDMRAAMMCKJ-IAGOWNOFSA-N 0 3 318.436 3.096 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCc1ccc(Cl)cc1 ZINC001481046287 1083132992 /nfs/dbraw/zinc/13/29/92/1083132992.db2.gz IJIHRDMZKNBYHK-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CC(C1CCC1)C1CCC1 ZINC001481059294 1083142267 /nfs/dbraw/zinc/14/22/67/1083142267.db2.gz RWOGOOIINFMVCA-KRWDZBQOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1coc2ccccc12 ZINC001481064962 1083145276 /nfs/dbraw/zinc/14/52/76/1083145276.db2.gz NTQRMAPUSNILMK-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)CC(C)(C)C)NCc1ccccc1C#N ZINC001133731312 1083185704 /nfs/dbraw/zinc/18/57/04/1083185704.db2.gz NGNYTZIFUUZASY-CABCVRRESA-N 0 3 315.461 3.367 20 30 DGEDHN CCCN(CCNC(=O)C#CC(C)C)Cc1cc(F)ccc1C ZINC001481135705 1083207512 /nfs/dbraw/zinc/20/75/12/1083207512.db2.gz UROJUPAVTWFFGR-UHFFFAOYSA-N 0 3 318.436 3.122 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133889468 1083208097 /nfs/dbraw/zinc/20/80/97/1083208097.db2.gz XAGIIGMIPBUPGO-ZIAGYGMSSA-N 0 3 317.408 3.036 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)CC(C)(C)CC(F)(F)F ZINC001481152162 1083213879 /nfs/dbraw/zinc/21/38/79/1083213879.db2.gz GYVMFFZZHCSSME-UHFFFAOYSA-N 0 3 320.399 3.207 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001267628996 1083231272 /nfs/dbraw/zinc/23/12/72/1083231272.db2.gz HYKLUDIYALHRSI-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001267633923 1083236913 /nfs/dbraw/zinc/23/69/13/1083236913.db2.gz VCJFESCKRVRZRQ-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001267633922 1083237115 /nfs/dbraw/zinc/23/71/15/1083237115.db2.gz VCJFESCKRVRZRQ-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCCCC(=O)NCC1CN(CC/C=C/c2ccccc2)C1 ZINC001267688936 1083264047 /nfs/dbraw/zinc/26/40/47/1083264047.db2.gz ACMJBTVEBNNWRT-UKTHLTGXSA-N 0 3 324.468 3.332 20 30 DGEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)/C=C(\C)CC ZINC001134285478 1083267784 /nfs/dbraw/zinc/26/77/84/1083267784.db2.gz SNNYOQUSFPBMAF-HKCLJGFPSA-N 0 3 317.271 3.124 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2ccccc21 ZINC001267709248 1083275098 /nfs/dbraw/zinc/27/50/98/1083275098.db2.gz QEOIDJYNVPANEJ-BJLQDIEVSA-N 0 3 324.468 3.358 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001267712390 1083276809 /nfs/dbraw/zinc/27/68/09/1083276809.db2.gz RQSXMNISTLQRDJ-IRXDYDNUSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC(C)(C)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001134428592 1083284739 /nfs/dbraw/zinc/28/47/39/1083284739.db2.gz TYYWACVCFGAXLS-GFCCVEGCSA-N 0 3 310.388 3.334 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001267735570 1083293777 /nfs/dbraw/zinc/29/37/77/1083293777.db2.gz CYGFNDIEHDFPEM-ZDUSSCGKSA-N 0 3 307.463 3.037 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)sc1C ZINC001134470179 1083294222 /nfs/dbraw/zinc/29/42/22/1083294222.db2.gz OCULMPIWVKLVTG-QWHCGFSZSA-N 0 3 323.506 3.489 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001134475326 1083297555 /nfs/dbraw/zinc/29/75/55/1083297555.db2.gz BAAODJRRRQHDPB-HZPDHXFCSA-N 0 3 320.481 3.193 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001134476822 1083298172 /nfs/dbraw/zinc/29/81/72/1083298172.db2.gz YDDMXXWCVIGGMK-KGLIPLIRSA-N 0 3 321.465 3.275 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001267754795 1083321248 /nfs/dbraw/zinc/32/12/48/1083321248.db2.gz RISABUCTRLUCJP-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001267760567 1083324794 /nfs/dbraw/zinc/32/47/94/1083324794.db2.gz WGKHAVZXQGYTHH-AEFFLSMTSA-N 0 3 320.477 3.001 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1C ZINC001104890332 1083327298 /nfs/dbraw/zinc/32/72/98/1083327298.db2.gz SQMIPQYMNCNHHC-MLGOLLRUSA-N 0 3 324.896 3.249 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C(CC(C)C)CC(C)C)C1 ZINC001267778511 1083341428 /nfs/dbraw/zinc/34/14/28/1083341428.db2.gz CENKGSRKOJXPKE-SFHVURJKSA-N 0 3 306.494 3.251 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001267792860 1083350863 /nfs/dbraw/zinc/35/08/63/1083350863.db2.gz BQAMFWDYWVLVJB-MAUKXSAKSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCc2cc(C)ns2)CC1 ZINC001267819009 1083378805 /nfs/dbraw/zinc/37/88/05/1083378805.db2.gz RGIISAHQQGWEIQ-OAHLLOKOSA-N 0 3 321.490 3.182 20 30 DGEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C1(C)CCCCC1 ZINC001481275109 1083434371 /nfs/dbraw/zinc/43/43/71/1083434371.db2.gz CUWUEIOZKSLXQN-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(C(C)C)nc2C)C1 ZINC001181511862 1083480999 /nfs/dbraw/zinc/48/09/99/1083480999.db2.gz SGIRUTSIRGGCAK-QGZVFWFLSA-N 0 3 315.461 3.170 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001267914626 1083560908 /nfs/dbraw/zinc/56/09/08/1083560908.db2.gz WXRMDHRFPBDBAT-GXTWGEPZSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCc1ccc(Cl)cc1 ZINC001181877521 1083567734 /nfs/dbraw/zinc/56/77/34/1083567734.db2.gz IJIHRDMZKNBYHK-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN O=C(C#CC1CC1)N[C@@H]1CCCN(CC/C=C\c2ccccc2)C1 ZINC001267931380 1083592900 /nfs/dbraw/zinc/59/29/00/1083592900.db2.gz SQEDDTYBEFHVKS-BUSNORKWSA-N 0 3 322.452 3.084 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)cc1 ZINC001267938876 1083605594 /nfs/dbraw/zinc/60/55/94/1083605594.db2.gz BOGAMIAZWFVLFG-HOTGVXAUSA-N 0 3 314.473 3.344 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H](C)CC(C)C)cc1 ZINC001267938924 1083605773 /nfs/dbraw/zinc/60/57/73/1083605773.db2.gz CRUOTUDPEAVYAR-KRWDZBQOSA-N 0 3 314.473 3.488 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001283964573 1083622943 /nfs/dbraw/zinc/62/29/43/1083622943.db2.gz LDVHAKZOCGPQFA-ZFWWWQNUSA-N 0 3 306.837 3.385 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001182107920 1083623545 /nfs/dbraw/zinc/62/35/45/1083623545.db2.gz BCNYRFNUEKOYKA-CYBMUJFWSA-N 0 3 324.877 3.286 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001267987139 1083702480 /nfs/dbraw/zinc/70/24/80/1083702480.db2.gz ACFSVDUWOKUADT-HBZGRHIISA-N 0 3 307.265 3.250 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001267987298 1083702503 /nfs/dbraw/zinc/70/25/03/1083702503.db2.gz BQSBYQQGLPFFTK-HNNXBMFYSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl ZINC001267987149 1083702871 /nfs/dbraw/zinc/70/28/71/1083702871.db2.gz ACFSVDUWOKUADT-WBOGTDJTSA-N 0 3 307.265 3.250 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl)C1 ZINC001268001803 1083724120 /nfs/dbraw/zinc/72/41/20/1083724120.db2.gz KHWWFNONGLAFON-GGQLTLKSSA-N 0 3 305.249 3.004 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNCc1ccncc1Cl ZINC001268002256 1083724645 /nfs/dbraw/zinc/72/46/45/1083724645.db2.gz SPLPUXBGLFBMGA-GUYCJALGSA-N 0 3 323.868 3.179 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccncc1C)c1ccccc1 ZINC001481364914 1083823691 /nfs/dbraw/zinc/82/36/91/1083823691.db2.gz LTKGRCSQOZMHFG-SFHVURJKSA-N 0 3 309.413 3.027 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001481406582 1083874500 /nfs/dbraw/zinc/87/45/00/1083874500.db2.gz UUWBJVGPLQQBGW-QGZVFWFLSA-N 0 3 316.420 3.084 20 30 DGEDHN CCCCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268049208 1084021646 /nfs/dbraw/zinc/02/16/46/1084021646.db2.gz IRKRUDUREFTAFH-INIZCTEOSA-N 0 3 318.436 3.194 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1sccc1Cl ZINC001268060521 1084071163 /nfs/dbraw/zinc/07/11/63/1084071163.db2.gz VXAGLFNBCIHMPW-LBPRGKRZSA-N 0 3 312.866 3.142 20 30 DGEDHN CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1CCC1 ZINC001268101318 1084169529 /nfs/dbraw/zinc/16/95/29/1084169529.db2.gz GOOXEWGCAHCFEO-AWEZNQCLSA-N 0 3 319.474 3.040 20 30 DGEDHN CCCC(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)CC(C)C ZINC001268102795 1084172190 /nfs/dbraw/zinc/17/21/90/1084172190.db2.gz ZABIEIZZJTYMEN-MRXNPFEDSA-N 0 3 319.424 3.118 20 30 DGEDHN COc1cccc([C@H](CNc2cc(F)ccc2C#N)N(C)C)c1 ZINC001184491575 1084184359 /nfs/dbraw/zinc/18/43/59/1084184359.db2.gz NTYKHVFWMUULCO-SFHVURJKSA-N 0 3 313.376 3.421 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CSC(C)C ZINC001268149968 1084237528 /nfs/dbraw/zinc/23/75/28/1084237528.db2.gz VFRDZGVPYPGCBL-CQSZACIVSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1oc(C(F)F)cc1C)C1CC1 ZINC001493380144 1084275367 /nfs/dbraw/zinc/27/53/67/1084275367.db2.gz NLIPYFFKKTWEHM-UHFFFAOYSA-N 0 3 312.360 3.296 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ncoc2CC)C1 ZINC001268170265 1084278169 /nfs/dbraw/zinc/27/81/69/1084278169.db2.gz UWGGAHHZZGIDKG-HNNXBMFYSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccns1 ZINC001268194222 1084302661 /nfs/dbraw/zinc/30/26/61/1084302661.db2.gz XYVKOUSNGOLLHA-ZBFHGGJFSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1ccc(F)cn1)C(C)C ZINC001268215976 1084341342 /nfs/dbraw/zinc/34/13/42/1084341342.db2.gz DXTJHDCCZMHJAZ-SJLPKXTDSA-N 0 3 321.440 3.053 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc2cc[nH]c21)C(C)C ZINC001268221991 1084349290 /nfs/dbraw/zinc/34/92/90/1084349290.db2.gz YABOPMZGORQWRB-HNNXBMFYSA-N 0 3 319.836 3.264 20 30 DGEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C(C)C)NCC#Cc1ccccc1 ZINC001268221417 1084351224 /nfs/dbraw/zinc/35/12/24/1084351224.db2.gz CNMFFRZJDDCNBG-HKUYNNGSSA-N 0 3 314.473 3.061 20 30 DGEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001087437895 1084351776 /nfs/dbraw/zinc/35/17/76/1084351776.db2.gz RJVNPSBPXLVIPC-VBSBHUPXSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1 ZINC001268234714 1084377165 /nfs/dbraw/zinc/37/71/65/1084377165.db2.gz LQUWYWYHPKTZHJ-KRWDZBQOSA-N 0 3 300.446 3.331 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1csc(C)n1 ZINC001268288349 1084455877 /nfs/dbraw/zinc/45/58/77/1084455877.db2.gz RIWNIQPZVZITKH-GDBMZVCRSA-N 0 3 321.490 3.182 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F ZINC001481674894 1084466819 /nfs/dbraw/zinc/46/68/19/1084466819.db2.gz ZWFPFTTXKDTVHH-KKUMJFAQSA-N 0 3 314.420 3.287 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC(F)(F)F ZINC001481681717 1084471258 /nfs/dbraw/zinc/47/12/58/1084471258.db2.gz KRCXTRQDVUHNJK-STQMWFEESA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001481678411 1084471689 /nfs/dbraw/zinc/47/16/89/1084471689.db2.gz SAEDXTHIMJMYKR-HOTGVXAUSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001481702042 1084491915 /nfs/dbraw/zinc/49/19/15/1084491915.db2.gz XHIMJPHOPDWRAR-CQSZACIVSA-N 0 3 306.475 3.083 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001185650777 1084495347 /nfs/dbraw/zinc/49/53/47/1084495347.db2.gz MVWODBAARSUTIX-IEBWSBKVSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H]1CCCC1(F)F ZINC001268393605 1084557472 /nfs/dbraw/zinc/55/74/72/1084557472.db2.gz KOKDSKPQYOGGRK-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1ccncc1Cl ZINC001268397285 1084560245 /nfs/dbraw/zinc/56/02/45/1084560245.db2.gz PFGUZZJBXMHETP-DYVFJYSZSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2nc(C)sc2C)C1 ZINC001268399521 1084564004 /nfs/dbraw/zinc/56/40/04/1084564004.db2.gz XKGOGFWNQWRVSG-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001186048430 1084582323 /nfs/dbraw/zinc/58/23/23/1084582323.db2.gz GZKUNJIVPWPZKZ-QZTJIDSGSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(C)CCC(C)CC1 ZINC001268429707 1084591076 /nfs/dbraw/zinc/59/10/76/1084591076.db2.gz SWLVGZOWFMXZBI-UGWHAMFMSA-N 0 3 300.874 3.440 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1c1ccccc1 ZINC001211732690 1084617223 /nfs/dbraw/zinc/61/72/23/1084617223.db2.gz UYFGDAJSXWWPTG-LSTHTHJFSA-N 0 3 324.468 3.030 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001481766774 1084618505 /nfs/dbraw/zinc/61/85/05/1084618505.db2.gz PTDPVKFUDNXQRW-IBGZPJMESA-N 0 3 312.457 3.077 20 30 DGEDHN CC[C@H](CNC(=O)C(C)=C1CCC1)NCC#Cc1ccccc1 ZINC001481808721 1084645560 /nfs/dbraw/zinc/64/55/60/1084645560.db2.gz DXLVPVGEDWDVFB-LJQANCHMSA-N 0 3 310.441 3.023 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1cccc(Cl)n1 ZINC001481847753 1084665873 /nfs/dbraw/zinc/66/58/73/1084665873.db2.gz HFPSSAGDBPESLZ-DYVFJYSZSA-N 0 3 323.868 3.322 20 30 DGEDHN C#CCCCC(=O)N1CCC([C@H]2CCCN(CCF)CC2)CC1 ZINC001186589083 1084677583 /nfs/dbraw/zinc/67/75/83/1084677583.db2.gz KWVIEIIAOPPJOR-KRWDZBQOSA-N 0 3 322.468 3.100 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001481984406 1084748799 /nfs/dbraw/zinc/74/87/99/1084748799.db2.gz PHAMLFSFJIQMMJ-HUUCEWRRSA-N 0 3 324.852 3.354 20 30 DGEDHN C=CC(C)(C)C(=O)NCc1ccc(CNC[C@@H](F)CC)cc1 ZINC001482032772 1084783509 /nfs/dbraw/zinc/78/35/09/1084783509.db2.gz KMCSXRFXKGHHSO-INIZCTEOSA-N 0 3 306.425 3.353 20 30 DGEDHN CCCCCCCN1C[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 ZINC001187326182 1084784309 /nfs/dbraw/zinc/78/43/09/1084784309.db2.gz JUKSSGUXRMEJTH-JKSUJKDBSA-N 0 3 322.493 3.105 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C\CN[C@@H](C)c1cccc(Cl)c1 ZINC001268537215 1084790559 /nfs/dbraw/zinc/79/05/59/1084790559.db2.gz RMVBJQWMLHRCHK-XVWMLYKFSA-N 0 3 318.848 3.322 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C/CN[C@H]1CCc2ccc(F)cc21 ZINC001268545875 1084799193 /nfs/dbraw/zinc/79/91/93/1084799193.db2.gz VVPLKVWOSAGVIE-WHLIDYPQSA-N 0 3 316.420 3.431 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001268603082 1084889973 /nfs/dbraw/zinc/88/99/73/1084889973.db2.gz KRMLJEJHPWSDBS-PWHGLLLSSA-N 0 3 304.478 3.124 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001268615027 1084895189 /nfs/dbraw/zinc/89/51/89/1084895189.db2.gz USFHFWAXKZUHIL-VJIACCKLSA-N 0 3 312.457 3.102 20 30 DGEDHN CCCCCCC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268672509 1084932772 /nfs/dbraw/zinc/93/27/72/1084932772.db2.gz NBGGRIBJXWOWPN-QGZVFWFLSA-N 0 3 300.446 3.103 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268701952 1084961106 /nfs/dbraw/zinc/96/11/06/1084961106.db2.gz MYFOVCJGVOSFEC-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN CC[C@@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268709713 1084963116 /nfs/dbraw/zinc/96/31/16/1084963116.db2.gz QVMMNWCYMYVGIV-OLZOCXBDSA-N 0 3 307.463 3.040 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001268729073 1084996436 /nfs/dbraw/zinc/99/64/36/1084996436.db2.gz BYZDFABDONVGGX-ZIAGYGMSSA-N 0 3 322.399 3.122 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001268732271 1084998613 /nfs/dbraw/zinc/99/86/13/1084998613.db2.gz HYXCFMMGMGVYGO-OAHLLOKOSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1csc2cc(C)ccc21 ZINC001268733024 1084999147 /nfs/dbraw/zinc/99/91/47/1084999147.db2.gz ROCHBRLDMCGURR-ZDUSSCGKSA-N 0 3 302.443 3.446 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)CCc1c(F)cccc1F ZINC001268741635 1085013462 /nfs/dbraw/zinc/01/34/62/1085013462.db2.gz VVKZFMQBVGCLPS-CYBMUJFWSA-N 0 3 324.415 3.156 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001268883256 1085072814 /nfs/dbraw/zinc/07/28/14/1085072814.db2.gz FGHDFCPPDQZQMU-HNNXBMFYSA-N 0 3 300.446 3.398 20 30 DGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001268934270 1085080941 /nfs/dbraw/zinc/08/09/41/1085080941.db2.gz AGZTVXOBTWJPOM-OALUTQOASA-N 0 3 314.473 3.356 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001268978728 1085093580 /nfs/dbraw/zinc/09/35/80/1085093580.db2.gz ICUCZSRVJJTFGO-XSLAGTTESA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001269034370 1085102839 /nfs/dbraw/zinc/10/28/39/1085102839.db2.gz WMHXQZOVUWPRHX-KRWDZBQOSA-N 0 3 318.436 3.260 20 30 DGEDHN CCCCCC(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001269043346 1085104225 /nfs/dbraw/zinc/10/42/25/1085104225.db2.gz IDMJPBJWLPUHRT-LJQANCHMSA-N 0 3 312.457 3.103 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001269134951 1085146792 /nfs/dbraw/zinc/14/67/92/1085146792.db2.gz VYOJPBSILMJQHW-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC001269172599 1085176673 /nfs/dbraw/zinc/17/66/73/1085176673.db2.gz SYGWNOGFOBWKGI-CYBMUJFWSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001269247907 1085233316 /nfs/dbraw/zinc/23/33/16/1085233316.db2.gz KZVUNIMYHOEWRS-GOEBONIOSA-N 0 3 316.445 3.317 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCc2ccc(C)cc2)C1 ZINC001269267640 1085249384 /nfs/dbraw/zinc/24/93/84/1085249384.db2.gz AFYUWEZQJKCPRZ-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001269349499 1085327562 /nfs/dbraw/zinc/32/75/62/1085327562.db2.gz CGEIHGUFDFZVGE-JWXAEQQXSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001269356058 1085332469 /nfs/dbraw/zinc/33/24/69/1085332469.db2.gz MEJZGJQUGSRPLO-HUUCEWRRSA-N 0 3 304.409 3.293 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1ccc(Cl)cc1F ZINC001269399158 1085366726 /nfs/dbraw/zinc/36/67/26/1085366726.db2.gz XEBKTZJQMUYBFX-OAHLLOKOSA-N 0 3 324.827 3.267 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001269399275 1085366927 /nfs/dbraw/zinc/36/69/27/1085366927.db2.gz ZHPYEESVTSZWNY-MJGOQNOKSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001269449031 1085390731 /nfs/dbraw/zinc/39/07/31/1085390731.db2.gz RYJBWRFKQHDDTO-ZDUSSCGKSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1 ZINC001269453008 1085395180 /nfs/dbraw/zinc/39/51/80/1085395180.db2.gz AARSEUZYXVABCG-IEBWSBKVSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCN(CC#CC)C1 ZINC001269555847 1085463923 /nfs/dbraw/zinc/46/39/23/1085463923.db2.gz HXVWOYGZVOFJKP-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CC1(CC(=O)N(CCN(C)C[C@H](C)O)C(C)C)CCCCC1 ZINC001284552945 1085473659 /nfs/dbraw/zinc/47/36/59/1085473659.db2.gz BACTZUUFYUSTRZ-KRWDZBQOSA-N 0 3 324.509 3.063 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](F)c2ccccc2)CCCC1 ZINC001269580084 1085477702 /nfs/dbraw/zinc/47/77/02/1085477702.db2.gz URPHEAPJXHSJOZ-OAHLLOKOSA-N 0 3 324.827 3.468 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](F)c2ccccc2)CCCC1 ZINC001269580081 1085477815 /nfs/dbraw/zinc/47/78/15/1085477815.db2.gz URPHEAPJXHSJOZ-HNNXBMFYSA-N 0 3 324.827 3.468 20 30 DGEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccc[nH]2)CCCC[C@H]1C ZINC001269658568 1085513621 /nfs/dbraw/zinc/51/36/21/1085513621.db2.gz QTYDHSVIYVMUAI-WBMJQRKESA-N 0 3 309.841 3.036 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001269664449 1085518737 /nfs/dbraw/zinc/51/87/37/1085518737.db2.gz PVLLRGVZKOETOY-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001269689296 1085528429 /nfs/dbraw/zinc/52/84/29/1085528429.db2.gz GFTAQRBCQSNFQV-CQSZACIVSA-N 0 3 310.825 3.172 20 30 DGEDHN CC(C)(C)C#CC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001482240906 1085562603 /nfs/dbraw/zinc/56/26/03/1085562603.db2.gz BHUWJEBHKLGXTA-UHFFFAOYSA-N 0 3 324.468 3.161 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cc(C)no2)C[C@@H]1C ZINC001269936184 1085621573 /nfs/dbraw/zinc/62/15/73/1085621573.db2.gz DTUAKCQMEGHEEI-LSDHHAIUSA-N 0 3 319.449 3.054 20 30 DGEDHN CC/C=C(\C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001270015269 1085653014 /nfs/dbraw/zinc/65/30/14/1085653014.db2.gz KZYFWFRZUALZAJ-BRRGFWCPSA-N 0 3 317.458 3.057 20 30 DGEDHN C=CCOC(=O)[C@@H](Nc1ccc2nc(C)[nH]c2c1)[C@@H](C)CC ZINC001167960177 1085670759 /nfs/dbraw/zinc/67/07/59/1085670759.db2.gz VASFHDDBKWCFFG-ZBEGNZNMSA-N 0 3 301.390 3.427 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001482276497 1085758995 /nfs/dbraw/zinc/75/89/95/1085758995.db2.gz UUCISOMUPGWEOB-GJZGRUSLSA-N 0 3 304.409 3.127 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(F)cc2)CCCC1 ZINC001270706397 1085954610 /nfs/dbraw/zinc/95/46/10/1085954610.db2.gz BSVUMKGBHVEHEW-UHFFFAOYSA-N 0 3 310.800 3.210 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC001280275045 1085961336 /nfs/dbraw/zinc/96/13/36/1085961336.db2.gz WAPSJVILPHAWBE-MRXNPFEDSA-N 0 3 320.864 3.498 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNCc2ncc(C)s2)C1 ZINC001270727483 1085968562 /nfs/dbraw/zinc/96/85/62/1085968562.db2.gz QOXMHZDZURRJHK-QGZVFWFLSA-N 0 3 321.490 3.136 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC(=C)C)CC1 ZINC001105393544 1086187545 /nfs/dbraw/zinc/18/75/45/1086187545.db2.gz AKKHNHZLADLGMG-LJQANCHMSA-N 0 3 314.473 3.069 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001270947930 1086209416 /nfs/dbraw/zinc/20/94/16/1086209416.db2.gz MXPVUOXNBXORKL-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001270998654 1086238525 /nfs/dbraw/zinc/23/85/25/1086238525.db2.gz GSUNARNWORVWHP-QAPCUYQASA-N 0 3 304.434 3.096 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001271017600 1086254208 /nfs/dbraw/zinc/25/42/08/1086254208.db2.gz RQFQSWPGYCAAHT-IBGZPJMESA-N 0 3 318.505 3.300 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CCC1(F)F ZINC001482453443 1086275959 /nfs/dbraw/zinc/27/59/59/1086275959.db2.gz QDNQMBXZOCXTBF-CHWSQXEVSA-N 0 3 320.811 3.145 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2nsc3ccccc32)[C@H]1CC ZINC001087583269 1086315585 /nfs/dbraw/zinc/31/55/85/1086315585.db2.gz ZECCGLHVGWIJSN-UONOGXRCSA-N 0 3 315.442 3.065 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@H]1CC ZINC001087612483 1086326288 /nfs/dbraw/zinc/32/62/88/1086326288.db2.gz RGHCJMOAQWAHFY-JKSUJKDBSA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1CC ZINC001087603588 1086328694 /nfs/dbraw/zinc/32/86/94/1086328694.db2.gz XXKUUQXYHMTNDN-JKSUJKDBSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@H]1CC ZINC001087697005 1086367738 /nfs/dbraw/zinc/36/77/38/1086367738.db2.gz XHABFIBOGGZUEG-DLBZAZTESA-N 0 3 303.450 3.146 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@H]1CC ZINC001087753827 1086397639 /nfs/dbraw/zinc/39/76/39/1086397639.db2.gz ZPPFTNREXKDYOA-QWHCGFSZSA-N 0 3 312.866 3.099 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@H]1CC ZINC001087766257 1086403814 /nfs/dbraw/zinc/40/38/14/1086403814.db2.gz BCKQJNXMNSKZEJ-FUHWJXTLSA-N 0 3 309.413 3.004 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H]1CC ZINC001087774253 1086404827 /nfs/dbraw/zinc/40/48/27/1086404827.db2.gz HFSYFOJNHUFOPP-DLBZAZTESA-N 0 3 312.413 3.130 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H]1CC ZINC001087813591 1086422025 /nfs/dbraw/zinc/42/20/25/1086422025.db2.gz VXIMDJFLUVTGIM-LSDHHAIUSA-N 0 3 306.475 3.063 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)[C@H]1CC ZINC001087815203 1086422704 /nfs/dbraw/zinc/42/27/04/1086422704.db2.gz ZMKVCSYAOXHQLG-ZGUYJTEBSA-N 0 3 304.478 3.358 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1CC ZINC001087845268 1086443014 /nfs/dbraw/zinc/44/30/14/1086443014.db2.gz QBENQRWRFWXPLB-XWTMOSNGSA-N 0 3 316.420 3.084 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H]1CC ZINC001087849101 1086446236 /nfs/dbraw/zinc/44/62/36/1086446236.db2.gz FUYVCGLIIWURBV-ZWKOTPCHSA-N 0 3 312.457 3.182 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3CCCCCCC3)C[C@@H]2C1 ZINC001088036679 1086531570 /nfs/dbraw/zinc/53/15/70/1086531570.db2.gz XYMDPULTCLYIHP-MOPGFXCFSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CCCCC)C[C@]2(C)C1 ZINC001101384386 1086579368 /nfs/dbraw/zinc/57/93/68/1086579368.db2.gz BOJNSPUHBKXCFX-SCTDSRPQSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1coc(C)c1)c1ccccc1CC ZINC001271445276 1086634449 /nfs/dbraw/zinc/63/44/49/1086634449.db2.gz FEVOBTZJTKDJHZ-SFHVURJKSA-N 0 3 312.413 3.397 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNCc1conc1CC ZINC001271493443 1086668932 /nfs/dbraw/zinc/66/89/32/1086668932.db2.gz AZDWUTUOZQIUBT-MRXNPFEDSA-N 0 3 319.449 3.064 20 30 DGEDHN C[C@H]1CCCN(C(=O)C2CCC2)[C@H]1CNCC#Cc1ccccc1 ZINC001271688607 1086702328 /nfs/dbraw/zinc/70/23/28/1086702328.db2.gz PVWUPAVRLBZLDU-PXNSSMCTSA-N 0 3 324.468 3.055 20 30 DGEDHN CC(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001271731453 1086737807 /nfs/dbraw/zinc/73/78/07/1086737807.db2.gz ZTKWESZFIZFFIJ-ACDBMABISA-N 0 3 324.468 3.053 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccccc2O)C1 ZINC001088266581 1086743425 /nfs/dbraw/zinc/74/34/25/1086743425.db2.gz DOPVOAOFORNNGE-AWEZNQCLSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001088269991 1086746956 /nfs/dbraw/zinc/74/69/56/1086746956.db2.gz XXFSCBNDWJSWFL-IVOILVROSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cncc(C)c2)C1 ZINC001088286503 1086763017 /nfs/dbraw/zinc/76/30/17/1086763017.db2.gz CKZKZPKKLXTERH-INIZCTEOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CCCC(=O)N(Cc1ccccn1)C1CCN(CC=C)CC1 ZINC001271826948 1086784444 /nfs/dbraw/zinc/78/44/44/1086784444.db2.gz NJSYPDDWBFYQTA-UHFFFAOYSA-N 0 3 313.445 3.027 20 30 DGEDHN CC(C)[C@@H](CNC(=O)C#CC1CC1)NCc1sccc1Cl ZINC001271836715 1086787186 /nfs/dbraw/zinc/78/71/86/1086787186.db2.gz CEABOJPRVLNBRZ-CQSZACIVSA-N 0 3 324.877 3.045 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCCC1(F)F)C(C)C ZINC001271877673 1086802430 /nfs/dbraw/zinc/80/24/30/1086802430.db2.gz KSNVMCYRQIPHKY-STQMWFEESA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCCC1(F)F)C(C)C ZINC001271877672 1086802845 /nfs/dbraw/zinc/80/28/45/1086802845.db2.gz KSNVMCYRQIPHKY-QWHCGFSZSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccccc1CC)C(C)C ZINC001271883495 1086806113 /nfs/dbraw/zinc/80/61/13/1086806113.db2.gz BJYANDOODUUEIB-INIZCTEOSA-N 0 3 308.853 3.346 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cc(C)cc(C)c1)C(C)C ZINC001271892949 1086813670 /nfs/dbraw/zinc/81/36/70/1086813670.db2.gz MSVVZUZMEKOQFL-QGZVFWFLSA-N 0 3 322.880 3.329 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c(C)cccc1C)C(C)C ZINC001271904007 1086825152 /nfs/dbraw/zinc/82/51/52/1086825152.db2.gz WTBSMSOYKAGXLW-HNNXBMFYSA-N 0 3 308.853 3.400 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1ccccc1)C(C)C ZINC001271923360 1086839220 /nfs/dbraw/zinc/83/92/20/1086839220.db2.gz UNEHHCHLVQMRGQ-INIZCTEOSA-N 0 3 308.853 3.102 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CC2CCC1CC2)C(C)C ZINC001271941275 1086849318 /nfs/dbraw/zinc/84/93/18/1086849318.db2.gz NVJLARBAMYUASM-QDIHITRGSA-N 0 3 312.885 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCc2cnoc2C)C1 ZINC001088360203 1086859927 /nfs/dbraw/zinc/85/99/27/1086859927.db2.gz SYWBHMLSPIBFQT-INIZCTEOSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](F)C(C)C)C1 ZINC001088365912 1086867623 /nfs/dbraw/zinc/86/76/23/1086867623.db2.gz WUJAXGBFXJQLHR-KGLIPLIRSA-N 0 3 304.837 3.094 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001088379156 1086889523 /nfs/dbraw/zinc/88/95/23/1086889523.db2.gz ALWPMHRUNAHXNO-OAHLLOKOSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001088390349 1086903551 /nfs/dbraw/zinc/90/35/51/1086903551.db2.gz LTFMWNOZBIWXFS-HUUCEWRRSA-N 0 3 310.869 3.290 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)Cc1ccc(C(C)C)cc1 ZINC001272005314 1086950441 /nfs/dbraw/zinc/95/04/41/1086950441.db2.gz QFCDQDGKPRKNLG-UHFFFAOYSA-N 0 3 314.473 3.360 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCc1ccc(C)cc1 ZINC001272035201 1087004954 /nfs/dbraw/zinc/00/49/54/1087004954.db2.gz UBEXKJFBWWWJKH-WOJBJXKFSA-N 0 3 324.468 3.016 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1ccc2c(c1)CCC2 ZINC001482600196 1087042700 /nfs/dbraw/zinc/04/27/00/1087042700.db2.gz PGRPAOUKNUWYSU-UHFFFAOYSA-N 0 3 314.473 3.422 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)CCc1ccc(C(C)C)cc1 ZINC001482612302 1087056704 /nfs/dbraw/zinc/05/67/04/1087056704.db2.gz XPGMBYNSEJKQCW-UHFFFAOYSA-N 0 3 314.473 3.156 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1csc(C)n1 ZINC001482677611 1087132812 /nfs/dbraw/zinc/13/28/12/1087132812.db2.gz IMYINEOPHOPVRI-ZBFHGGJFSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@@H](C)CCC)[C@H](OC)C1 ZINC001212009399 1087135325 /nfs/dbraw/zinc/13/53/25/1087135325.db2.gz PYSULYZPSKDVJQ-RCCFBDPRSA-N 0 3 324.509 3.375 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CCNCc1ccc(F)cc1Cl ZINC001482829559 1087166469 /nfs/dbraw/zinc/16/64/69/1087166469.db2.gz BLDNNQWWQFFEGA-ZDUSSCGKSA-N 0 3 324.827 3.123 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)[C@@H](C)C(C)(C)C ZINC001482933353 1087190593 /nfs/dbraw/zinc/19/05/93/1087190593.db2.gz JDJYCJWVIMVODQ-CYBMUJFWSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1cc(F)cc(F)c1 ZINC001482943013 1087193438 /nfs/dbraw/zinc/19/34/38/1087193438.db2.gz BJUMCFDJVFNCHU-UHFFFAOYSA-N 0 3 310.388 3.115 20 30 DGEDHN C[C@@H](C(=O)NC/C=C\CNCc1cccc(C#N)c1)C(C)(C)C ZINC001483025013 1087238962 /nfs/dbraw/zinc/23/89/62/1087238962.db2.gz ZPZOLRVPAMNREB-YVACAVLKSA-N 0 3 313.445 3.002 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)[C@H]1C ZINC001088634638 1087240686 /nfs/dbraw/zinc/24/06/86/1087240686.db2.gz AXKKLTMUOBURAU-OWYHZJEWSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCC(F)(F)CC2)[C@H]1C ZINC001088672925 1087251065 /nfs/dbraw/zinc/25/10/65/1087251065.db2.gz PHFHOAUFDWSLBN-KGLIPLIRSA-N 0 3 314.420 3.357 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)c(F)ccc2Cl)[C@H]1C ZINC001088681153 1087252799 /nfs/dbraw/zinc/25/27/99/1087252799.db2.gz NKPGAKHUXCTZLU-DOMZBBRYSA-N 0 3 322.811 3.003 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cc(C)ccc3n2)[C@H]1C ZINC001088730422 1087325887 /nfs/dbraw/zinc/32/58/87/1087325887.db2.gz AKNXMIWHVSQZEQ-WBVHZDCISA-N 0 3 323.440 3.312 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3cc2F)[C@H]1C ZINC001088737852 1087327261 /nfs/dbraw/zinc/32/72/61/1087327261.db2.gz GWYVQMJCGXTSBY-KUHUBIRLSA-N 0 3 324.399 3.195 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001483158533 1087407798 /nfs/dbraw/zinc/40/77/98/1087407798.db2.gz NUJXNVBVQNOHNI-OLZOCXBDSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CN(C)[C@@H](C)c1cccc(F)c1 ZINC001483330343 1087473041 /nfs/dbraw/zinc/47/30/41/1087473041.db2.gz CDOWHVIDJWPSJU-CABCVRRESA-N 0 3 304.409 3.127 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483368209 1087482568 /nfs/dbraw/zinc/48/25/68/1087482568.db2.gz ADJUMBAXUPTFHR-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN CC[C@H](C)[C@H](C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001483499984 1087516250 /nfs/dbraw/zinc/51/62/50/1087516250.db2.gz GNNYNXWOGKHBDH-HOTGVXAUSA-N 0 3 315.461 3.179 20 30 DGEDHN C#CCCCC(=O)N[C@@H](CN[C@@H](C)c1ccccc1F)C1CC1 ZINC001483559094 1087525564 /nfs/dbraw/zinc/52/55/64/1087525564.db2.gz ZVWOCTPPJGKFLL-KSSFIOAISA-N 0 3 316.420 3.175 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cscn2)[C@H](CC)C1 ZINC001483622132 1087560511 /nfs/dbraw/zinc/56/05/11/1087560511.db2.gz RUAGEPJVMOTTCP-ZBFHGGJFSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H]1C ZINC001088867299 1087588626 /nfs/dbraw/zinc/58/86/26/1087588626.db2.gz OSBVGMKVADBNRJ-PBHICJAKSA-N 0 3 313.445 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H]1C ZINC001088874669 1087593228 /nfs/dbraw/zinc/59/32/28/1087593228.db2.gz QZFKOMJJVSZTHY-OCCSQVGLSA-N 0 3 308.372 3.042 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H]1C ZINC001088940990 1087607697 /nfs/dbraw/zinc/60/76/97/1087607697.db2.gz AKAYFJXZAQOPEI-PBHICJAKSA-N 0 3 312.413 3.130 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3scnc3c2)[C@H]1C ZINC001088953443 1087609267 /nfs/dbraw/zinc/60/92/67/1087609267.db2.gz TVKKDYZIPAQBDF-OCCSQVGLSA-N 0 3 315.442 3.065 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)[C@H]1C ZINC001088968603 1087612148 /nfs/dbraw/zinc/61/21/48/1087612148.db2.gz FHQFFAXWAYLWNQ-UXLLHSPISA-N 0 3 324.424 3.139 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2C2CCC2)[C@H]1C ZINC001089011092 1087621193 /nfs/dbraw/zinc/62/11/93/1087621193.db2.gz JIZLYHOBTPRTAV-BEFAXECRSA-N 0 3 310.441 3.170 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001483670256 1087622101 /nfs/dbraw/zinc/62/21/01/1087622101.db2.gz MHHUEYFYGJMARA-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1C ZINC001089024153 1087623244 /nfs/dbraw/zinc/62/32/44/1087623244.db2.gz MPTBBZFIGDPWIY-AEFFLSMTSA-N 0 3 300.446 3.001 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1C ZINC001089065963 1087630207 /nfs/dbraw/zinc/63/02/07/1087630207.db2.gz KNQGITPZPLLKJK-IWCLVNKQSA-N 0 3 324.468 3.263 20 30 DGEDHN C=CCCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccns1 ZINC001099098795 1087631514 /nfs/dbraw/zinc/63/15/14/1087631514.db2.gz WPNXYQXMILFUGU-CQSZACIVSA-N 0 3 321.490 3.330 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001483678411 1087635742 /nfs/dbraw/zinc/63/57/42/1087635742.db2.gz XXHCOEJQJQEPBY-CRAIPNDOSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CC)c(CC)c2)[C@H]1C ZINC001089095801 1087637441 /nfs/dbraw/zinc/63/74/41/1087637441.db2.gz VRBZNJVRXREOHU-KDOFPFPSSA-N 0 3 300.446 3.190 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001483686918 1087653944 /nfs/dbraw/zinc/65/39/44/1087653944.db2.gz XGQRRDYTZNOELD-KRWDZBQOSA-N 0 3 303.450 3.165 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001483692536 1087666097 /nfs/dbraw/zinc/66/60/97/1087666097.db2.gz BSMTZXIRNAEWKI-KRWDZBQOSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](CC)c1ccccc1 ZINC001483694625 1087673026 /nfs/dbraw/zinc/67/30/26/1087673026.db2.gz MXMGDWAYNACQFG-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001483720696 1087700128 /nfs/dbraw/zinc/70/01/28/1087700128.db2.gz BZUNIUKDQZKYPJ-GFCCVEGCSA-N 0 3 308.372 3.230 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2ncccc21 ZINC001158289493 1087761657 /nfs/dbraw/zinc/76/16/57/1087761657.db2.gz HNGVGTGPMBOFDG-MRXNPFEDSA-N 0 3 323.440 3.347 20 30 DGEDHN CC#CCNC1(CNC(=O)c2csc3cc(C)ccc23)CC1 ZINC001483737389 1087778656 /nfs/dbraw/zinc/77/86/56/1087778656.db2.gz ZWZYVVYWUFPOCO-UHFFFAOYSA-N 0 3 312.438 3.085 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc[nH]c1C(C)C ZINC001158357315 1087791005 /nfs/dbraw/zinc/79/10/05/1087791005.db2.gz DRTNLQCHRRXWEB-OAHLLOKOSA-N 0 3 303.450 3.251 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001099183745 1087807801 /nfs/dbraw/zinc/80/78/01/1087807801.db2.gz WMLKZCFVTCUTLH-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C(F)(F)F ZINC001158427258 1087829378 /nfs/dbraw/zinc/82/93/78/1087829378.db2.gz WPAQDSGOPARGRH-CHWSQXEVSA-N 0 3 306.372 3.074 20 30 DGEDHN C=C[C@H](CC(=O)NCCNCc1ccsc1)c1ccccc1 ZINC001151947405 1087840584 /nfs/dbraw/zinc/84/05/84/1087840584.db2.gz XRESJSSLROVDER-MRXNPFEDSA-N 0 3 314.454 3.314 20 30 DGEDHN Cc1ccc(CC#N)c(N(C2CCCC2)C2CCN(C)CC2)n1 ZINC001158487867 1087861135 /nfs/dbraw/zinc/86/11/35/1087861135.db2.gz PVLYKKVEAGELKU-UHFFFAOYSA-N 0 3 312.461 3.299 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1cccs1 ZINC001158541847 1087903137 /nfs/dbraw/zinc/90/31/37/1087903137.db2.gz WOOJNRDTXGNOGP-HZPDHXFCSA-N 0 3 320.502 3.426 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1oc(C(C)C)nc1C ZINC001158565092 1087916842 /nfs/dbraw/zinc/91/68/42/1087916842.db2.gz GSTMVSRNKNRAPA-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001158565484 1087918719 /nfs/dbraw/zinc/91/87/19/1087918719.db2.gz OZOPEYBEYYPCTJ-RSPOEFSDSA-N 0 3 324.468 3.071 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1cc(C)oc1C ZINC001158605372 1087930038 /nfs/dbraw/zinc/93/00/38/1087930038.db2.gz WRCAEEYDXOEOCW-NVXWUHKLSA-N 0 3 318.461 3.499 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1coc(C2CCC2)n1 ZINC001158714578 1087988967 /nfs/dbraw/zinc/98/89/67/1087988967.db2.gz UOJUPANBFKJQBX-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccco1 ZINC001158751521 1088008018 /nfs/dbraw/zinc/00/80/18/1088008018.db2.gz VVMLBMXMEDVKQA-HZPDHXFCSA-N 0 3 304.434 3.272 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC(C)(C)C(F)(F)F ZINC001158807201 1088037760 /nfs/dbraw/zinc/03/77/60/1088037760.db2.gz YMZKWBUSPVPDKB-CYBMUJFWSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1 ZINC001158812097 1088042814 /nfs/dbraw/zinc/04/28/14/1088042814.db2.gz XIFGZLFONZMBGB-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1 ZINC001158824858 1088050903 /nfs/dbraw/zinc/05/09/03/1088050903.db2.gz AILXIGNHAPQIAT-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccc(C)o1 ZINC001158901539 1088091032 /nfs/dbraw/zinc/09/10/32/1088091032.db2.gz WRXLILAOYKVTLD-MRXNPFEDSA-N 0 3 304.434 3.020 20 30 DGEDHN CC1(C)CCC[C@@H](C(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001152831528 1088091829 /nfs/dbraw/zinc/09/18/29/1088091829.db2.gz VAQYCPUIMFOZRD-CYBMUJFWSA-N 0 3 319.474 3.042 20 30 DGEDHN CCC[C@H](CC(C)C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001152876991 1088101858 /nfs/dbraw/zinc/10/18/58/1088101858.db2.gz VOEXFBRYYVTIHE-GOSISDBHSA-N 0 3 315.461 3.226 20 30 DGEDHN CCC[C@@H](CC(C)C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001152876992 1088103369 /nfs/dbraw/zinc/10/33/69/1088103369.db2.gz VOEXFBRYYVTIHE-SFHVURJKSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)COC1CCC(C)CC1 ZINC001158950089 1088113752 /nfs/dbraw/zinc/11/37/52/1088113752.db2.gz ZTNBBDCKKFNQHO-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCC1(C(=O)NCCNCc2ccc(F)cc2)CCCCC1 ZINC001153009492 1088136004 /nfs/dbraw/zinc/13/60/04/1088136004.db2.gz MUIAMCSRURBKJE-UHFFFAOYSA-N 0 3 316.420 3.005 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1cc(F)ccc1C ZINC001153025420 1088143574 /nfs/dbraw/zinc/14/35/74/1088143574.db2.gz VSHBGSLZRURVRW-MRXNPFEDSA-N 0 3 318.436 3.264 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)C/C=C/c1ccccc1 ZINC001153025056 1088144710 /nfs/dbraw/zinc/14/47/10/1088144710.db2.gz MYNXYPWHOJBYQX-GPZRYRNASA-N 0 3 312.457 3.330 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(Cl)c1 ZINC001153025498 1088144805 /nfs/dbraw/zinc/14/48/05/1088144805.db2.gz ZURIHKYGTLDCDT-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCC2)CC(C)(C)C1 ZINC001089338727 1088251372 /nfs/dbraw/zinc/25/13/72/1088251372.db2.gz LJCKSZVXZOWGFL-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN CC[C@H](C)CCCCC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001153570767 1088286392 /nfs/dbraw/zinc/28/63/92/1088286392.db2.gz OUCDWCMASUBYBS-ZWKOTPCHSA-N 0 3 324.509 3.069 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(F)c(F)c2)CCCC1 ZINC001153813807 1088371765 /nfs/dbraw/zinc/37/17/65/1088371765.db2.gz CWNNBIJASDXJFV-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(CC(C)C)s1 ZINC001153846571 1088384222 /nfs/dbraw/zinc/38/42/22/1088384222.db2.gz PCVPIHYTYRLDFX-CQSZACIVSA-N 0 3 306.475 3.020 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2sccc2s1 ZINC001154025692 1088443596 /nfs/dbraw/zinc/44/35/96/1088443596.db2.gz JIWVAUNQNSEZDD-GFCCVEGCSA-N 0 3 320.483 3.426 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC001272660086 1088507363 /nfs/dbraw/zinc/50/73/63/1088507363.db2.gz JPGQGXRDWCIDOV-UHFFFAOYSA-N 0 3 318.848 3.341 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001483756660 1088522725 /nfs/dbraw/zinc/52/27/25/1088522725.db2.gz GHJITKVZWKSTSV-UHFFFAOYSA-N 0 3 318.436 3.497 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)coc2C)CC(C)(C)C1 ZINC001089378250 1088552602 /nfs/dbraw/zinc/55/26/02/1088552602.db2.gz WWIWIEJLMKSCKZ-INIZCTEOSA-N 0 3 316.445 3.140 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001154295670 1088556148 /nfs/dbraw/zinc/55/61/48/1088556148.db2.gz HBDVAQHZHLZUIR-VQIMIIECSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc3occc3c2)CC(C)(C)C1 ZINC001089390237 1088560290 /nfs/dbraw/zinc/56/02/90/1088560290.db2.gz BGHYPYHVFZIIFL-KRWDZBQOSA-N 0 3 324.424 3.286 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001154492572 1088629465 /nfs/dbraw/zinc/62/94/65/1088629465.db2.gz KMXYNWCJGYTZKC-OAHLLOKOSA-N 0 3 306.494 3.299 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c(Cl)cc1C ZINC001154574446 1088657895 /nfs/dbraw/zinc/65/78/95/1088657895.db2.gz STBSPJCPUKUNOZ-OAHLLOKOSA-N 0 3 320.864 3.420 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001160131456 1088658162 /nfs/dbraw/zinc/65/81/62/1088658162.db2.gz MNLPNVDVAVHYQS-QGZVFWFLSA-N 0 3 302.462 3.281 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)CC(C)(C)C1 ZINC001089491172 1088684768 /nfs/dbraw/zinc/68/47/68/1088684768.db2.gz JLZAELWSJHPNCT-GJZGRUSLSA-N 0 3 318.486 3.092 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089511767 1088705099 /nfs/dbraw/zinc/70/50/99/1088705099.db2.gz VPFMCUBUAXULOS-QRVBRYPASA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)CC(C)(C)C1 ZINC001089553486 1088741287 /nfs/dbraw/zinc/74/12/87/1088741287.db2.gz JUSSHGSVDAWWJA-HNNXBMFYSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)CC(C)(C)C1 ZINC001089565888 1088753225 /nfs/dbraw/zinc/75/32/25/1088753225.db2.gz DPYVKJFYBQHDAD-HNNXBMFYSA-N 0 3 316.445 3.257 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089565640 1088754668 /nfs/dbraw/zinc/75/46/68/1088754668.db2.gz VKAIIPGIBCVTTB-JCYILVPMSA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1C ZINC001089600059 1088790801 /nfs/dbraw/zinc/79/08/01/1088790801.db2.gz IYPWWXIPOBUYLV-OAHLLOKOSA-N 0 3 318.486 3.300 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C ZINC001089609994 1088817465 /nfs/dbraw/zinc/81/74/65/1088817465.db2.gz NQTRADTXWQOVSL-HNNXBMFYSA-N 0 3 304.434 3.385 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001160467872 1088824138 /nfs/dbraw/zinc/82/41/38/1088824138.db2.gz YDZVVKDNKSKHDK-IBGZPJMESA-N 0 3 314.473 3.285 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001089630346 1088847739 /nfs/dbraw/zinc/84/77/39/1088847739.db2.gz GEEHNTQMGNHGSX-OAHLLOKOSA-N 0 3 319.424 3.017 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@](C)(F)CCCC)CC1 ZINC001160529817 1088850297 /nfs/dbraw/zinc/85/02/97/1088850297.db2.gz QKCGIDPOPZJKNE-GOSISDBHSA-N 0 3 308.441 3.067 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc(C(C)C)n2)CC1 ZINC001160607796 1088894275 /nfs/dbraw/zinc/89/42/75/1088894275.db2.gz ZJHFWMSANZMOCW-UHFFFAOYSA-N 0 3 313.445 3.143 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001089649483 1088912677 /nfs/dbraw/zinc/91/26/77/1088912677.db2.gz JXSCSGLQAROVFB-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C#C[C@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(Cl)cc1 ZINC001160815675 1088981055 /nfs/dbraw/zinc/98/10/55/1088981055.db2.gz FIMUODKEMUAPRY-INIZCTEOSA-N 0 3 318.848 3.395 20 30 DGEDHN CCCN(CCC)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001155182000 1088995361 /nfs/dbraw/zinc/99/53/61/1088995361.db2.gz BLRRKDHJBOYKMQ-CYBMUJFWSA-N 0 3 318.421 3.052 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001483930242 1089015328 /nfs/dbraw/zinc/01/53/28/1089015328.db2.gz AYIRYSCDUWSNFB-OAHLLOKOSA-N 0 3 321.852 3.172 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001089657186 1089020829 /nfs/dbraw/zinc/02/08/29/1089020829.db2.gz ARUOOSCXMUKPRW-HZPDHXFCSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)cc(C(C)(C)C)n1 ZINC001160953765 1089041986 /nfs/dbraw/zinc/04/19/86/1089041986.db2.gz JJUNCPZNKDRMML-LBPRGKRZSA-N 0 3 308.857 3.490 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CO[C@@H]2CCCC[C@H]2CC)CC1 ZINC001483967278 1089057402 /nfs/dbraw/zinc/05/74/02/1089057402.db2.gz LBNVXPQIDULYNV-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN(C(=O)c1cc(C)oc1C)C1CCN(CC(=C)C)CC1 ZINC001483978500 1089064431 /nfs/dbraw/zinc/06/44/31/1089064431.db2.gz APEDBHLBSAKFME-UHFFFAOYSA-N 0 3 314.429 3.012 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001483977247 1089064690 /nfs/dbraw/zinc/06/46/90/1089064690.db2.gz WKBBIDMISGRMIH-IAGOWNOFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC001484035604 1089117817 /nfs/dbraw/zinc/11/78/17/1089117817.db2.gz WLDGVGWGLQFQBY-JSGCOSHPSA-N 0 3 319.276 3.117 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cocc1C ZINC001089682850 1089147494 /nfs/dbraw/zinc/14/74/94/1089147494.db2.gz KBVZUHRYIWFXAT-OAHLLOKOSA-N 0 3 304.434 3.385 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001161195544 1089150240 /nfs/dbraw/zinc/15/02/40/1089150240.db2.gz ZIVOQYPSCZOIPZ-OAHLLOKOSA-N 0 3 312.404 3.136 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001484065151 1089154109 /nfs/dbraw/zinc/15/41/09/1089154109.db2.gz KGMFILISBZPHDP-KDOFPFPSSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1)C1CCCCC1 ZINC001161247649 1089167954 /nfs/dbraw/zinc/16/79/54/1089167954.db2.gz FXPLEVYDLBBIBP-TZMCWYRMSA-N 0 3 318.383 3.264 20 30 DGEDHN Cc1nc(N[C@@H]2CNCc3ccsc32)c(Cl)cc1C#N ZINC001155570703 1089169522 /nfs/dbraw/zinc/16/95/22/1089169522.db2.gz OWUMZPPGPHFRPJ-GFCCVEGCSA-N 0 3 304.806 3.233 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)CC1CCCCC1 ZINC001155601791 1089180252 /nfs/dbraw/zinc/18/02/52/1089180252.db2.gz LEUYCYXEPXTGLX-SJLPKXTDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccn(C)c1C ZINC001089690986 1089182891 /nfs/dbraw/zinc/18/28/91/1089182891.db2.gz HSVDKRKKDRYWPO-INIZCTEOSA-N 0 3 317.477 3.130 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001089690987 1089183333 /nfs/dbraw/zinc/18/33/33/1089183333.db2.gz HSVDKRKKDRYWPO-MRXNPFEDSA-N 0 3 317.477 3.130 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001161343712 1089203953 /nfs/dbraw/zinc/20/39/53/1089203953.db2.gz QCIWXWYOBPEHNS-GOSISDBHSA-N 0 3 324.468 3.260 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2cc(Cl)cs2)CC1 ZINC001161391858 1089225235 /nfs/dbraw/zinc/22/52/35/1089225235.db2.gz XIWCPRQZVWLOEF-UHFFFAOYSA-N 0 3 322.861 3.177 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001155735826 1089229608 /nfs/dbraw/zinc/22/96/08/1089229608.db2.gz QOOZSGMVIWKLSM-POAQFYNOSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(CF)cc2)C1 ZINC001484174893 1089271886 /nfs/dbraw/zinc/27/18/86/1089271886.db2.gz NRYVTNOZILQVEM-SFHVURJKSA-N 0 3 304.409 3.174 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001089717278 1089291256 /nfs/dbraw/zinc/29/12/56/1089291256.db2.gz XMAQSGLMHZWPRT-HNNXBMFYSA-N 0 3 319.449 3.088 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3sccc3[nH]2)CC1 ZINC001161639943 1089328045 /nfs/dbraw/zinc/32/80/45/1089328045.db2.gz KXBGPGBMLAOPQU-UHFFFAOYSA-N 0 3 315.442 3.167 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(C)(C)C ZINC001089766314 1089345319 /nfs/dbraw/zinc/34/53/19/1089345319.db2.gz MRZIXHOOURAFCR-JJXSEGSLSA-N 0 3 324.896 3.344 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC001161709000 1089360133 /nfs/dbraw/zinc/36/01/33/1089360133.db2.gz DCESKMNTFATGAZ-CQSZACIVSA-N 0 3 318.383 3.289 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CC12CCCC2 ZINC001272682118 1089376866 /nfs/dbraw/zinc/37/68/66/1089376866.db2.gz HVDASJKXGNRXAY-LJQANCHMSA-N 0 3 324.468 3.338 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001161734137 1089379752 /nfs/dbraw/zinc/37/97/52/1089379752.db2.gz UJTFNFVARVWUSU-RBUKOAKNSA-N 0 3 310.441 3.115 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc(Cl)c2)CC1 ZINC001161763273 1089388854 /nfs/dbraw/zinc/38/88/54/1089388854.db2.gz PCOKUAQGQOUVPS-UHFFFAOYSA-N 0 3 304.821 3.278 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc3ccccc3n2)CC1 ZINC001161763272 1089389089 /nfs/dbraw/zinc/38/90/89/1089389089.db2.gz PCHDCVAVOOXSPX-UHFFFAOYSA-N 0 3 321.424 3.173 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC001161762954 1089390050 /nfs/dbraw/zinc/39/00/50/1089390050.db2.gz GGAINGBCEKXTJP-UHFFFAOYSA-N 0 3 316.832 3.115 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1c(C)cccc1Cl ZINC001161815000 1089419586 /nfs/dbraw/zinc/41/95/86/1089419586.db2.gz QMOQPSVDIRMTGX-UHFFFAOYSA-N 0 3 315.244 3.039 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2CCC(F)(F)F ZINC001484460548 1089433318 /nfs/dbraw/zinc/43/33/18/1089433318.db2.gz CLLPENCNIFVPPL-KBPBESRZSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2CCC(F)(F)F ZINC001484460550 1089433450 /nfs/dbraw/zinc/43/34/50/1089433450.db2.gz CLLPENCNIFVPPL-UONOGXRCSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001161918619 1089469838 /nfs/dbraw/zinc/46/98/38/1089469838.db2.gz BQPKOPVARNZKNZ-IBGZPJMESA-N 0 3 302.462 3.447 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1OC ZINC001212320844 1089485909 /nfs/dbraw/zinc/48/59/09/1089485909.db2.gz DRTJQTHGTPFQIZ-QZTJIDSGSA-N 0 3 322.493 3.006 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1oc(C)cc1C ZINC001484555606 1089497250 /nfs/dbraw/zinc/49/72/50/1089497250.db2.gz RYRVJFZVLCQGJJ-UHFFFAOYSA-N 0 3 312.413 3.444 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001161968291 1089497717 /nfs/dbraw/zinc/49/77/17/1089497717.db2.gz NQVXDSFJFVBWMG-IAGOWNOFSA-N 0 3 316.489 3.220 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)Cc1ccccc1C ZINC001156390005 1089502458 /nfs/dbraw/zinc/50/24/58/1089502458.db2.gz CUGXNKXSPJMBRB-QZTJIDSGSA-N 0 3 314.473 3.024 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=CCCC1 ZINC001089796721 1089513594 /nfs/dbraw/zinc/51/35/94/1089513594.db2.gz WLUCGBFAQBXFTI-YVSFHVDLSA-N 0 3 320.864 3.018 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(F)c(C)c1)CC2 ZINC001272686510 1089539045 /nfs/dbraw/zinc/53/90/45/1089539045.db2.gz LORJHFSWPZWKKS-INIZCTEOSA-N 0 3 316.420 3.038 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccccc2C2(C)CC2)CCC1 ZINC001484650657 1089569169 /nfs/dbraw/zinc/56/91/69/1089569169.db2.gz BOUNABJPEOMFDR-UHFFFAOYSA-N 0 3 310.441 3.004 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001156553600 1089582233 /nfs/dbraw/zinc/58/22/33/1089582233.db2.gz QFNKVBVNJBQSCX-MRXNPFEDSA-N 0 3 314.473 3.448 20 30 DGEDHN Cc1cccc2nc(Cl)c(C#N)c(N[C@H]3CCN(C)C3)c12 ZINC001156581365 1089593844 /nfs/dbraw/zinc/59/38/44/1089593844.db2.gz 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1090171830 /nfs/dbraw/zinc/17/18/30/1090171830.db2.gz NPVSEDWKWDMNNC-QGZVFWFLSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272699872 1090172473 /nfs/dbraw/zinc/17/24/73/1090172473.db2.gz PAKRTHRLNPQNBK-IBGZPJMESA-N 0 3 317.477 3.494 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001485541198 1090204221 /nfs/dbraw/zinc/20/42/21/1090204221.db2.gz YHWKDEBGBNCZBJ-CVEARBPZSA-N 0 3 300.446 3.111 20 30 DGEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001485582889 1090217544 /nfs/dbraw/zinc/21/75/44/1090217544.db2.gz VSZZZMUDLQHPDU-INIZCTEOSA-N 0 3 324.509 3.088 20 30 DGEDHN CC(C)=CCN1C[C@@H](NC(=O)CC#Cc2ccccc2)C(C)(C)C1 ZINC001485587775 1090223004 /nfs/dbraw/zinc/22/30/04/1090223004.db2.gz WCRQNXROMQBBIB-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)CCCC)C[C@]2(C)C1 ZINC001485667342 1090234820 /nfs/dbraw/zinc/23/48/20/1090234820.db2.gz FRNZQVVSLPPBLU-YTQUADARSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001485703336 1090241199 /nfs/dbraw/zinc/24/11/99/1090241199.db2.gz UCKJUUSCYVJLOG-YEORSEQZSA-N 0 3 313.228 3.191 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001485706189 1090242412 /nfs/dbraw/zinc/24/24/12/1090242412.db2.gz CBQNNJVAIXERKI-CTYIDZIISA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)CCC)CC1 ZINC001163741163 1090247119 /nfs/dbraw/zinc/24/71/19/1090247119.db2.gz AGOVGSJLXXZXFE-ZDUSSCGKSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc(F)c1C ZINC001485724138 1090250441 /nfs/dbraw/zinc/25/04/41/1090250441.db2.gz HLKLGWKTVTWECQ-GFCCVEGCSA-N 0 3 312.816 3.375 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C(C)C)nc1 ZINC001485725094 1090251512 /nfs/dbraw/zinc/25/15/12/1090251512.db2.gz UVZBJWLBXFFNFR-AWEZNQCLSA-N 0 3 323.868 3.446 20 30 DGEDHN C=CCCC(=O)NCCC1(CNCc2cc(F)ccc2F)CC1 ZINC001163762661 1090252010 /nfs/dbraw/zinc/25/20/10/1090252010.db2.gz JHZXUYLVZLKHSJ-UHFFFAOYSA-N 0 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C=CC(C)(C)C(=O)N[C@@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001276413838 1090764769 /nfs/dbraw/zinc/76/47/69/1090764769.db2.gz ITBDCRFRXSCNFO-GJZGRUSLSA-N 0 3 300.446 3.396 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)[C@H](C)Cc3ccccc3)CCC[C@H]12 ZINC001486156743 1090767788 /nfs/dbraw/zinc/76/77/88/1090767788.db2.gz WPIYVVCPZNKNHG-LMNJBCLMSA-N 0 3 324.468 3.002 20 30 DGEDHN CC(C)N(CCNC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC001203762300 1090799811 /nfs/dbraw/zinc/79/98/11/1090799811.db2.gz CXVDMVAXUPSCJF-UHFFFAOYSA-N 0 3 317.433 3.293 20 30 DGEDHN C=CCN(C)CCN(C(=O)CCc1cccc(F)c1F)C(C)C ZINC001486380799 1090816441 /nfs/dbraw/zinc/81/64/41/1090816441.db2.gz UUEJFEHWYWCPDU-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)C=C(CC)CC)CC[C@H]1C(F)(F)F ZINC001486451312 1090839530 /nfs/dbraw/zinc/83/95/30/1090839530.db2.gz MEJHJXHOXQMKCO-KGLIPLIRSA-N 0 3 318.383 3.288 20 30 DGEDHN CN(C(=O)C(C)(C)C1CC1)C1CC(NCC#Cc2ccccc2)C1 ZINC001486473919 1090848599 /nfs/dbraw/zinc/84/85/99/1090848599.db2.gz JRPSKXLIQJHFAA-UHFFFAOYSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](CC)CC(C)C)CC2)CC1 ZINC001486490938 1090855833 /nfs/dbraw/zinc/85/58/33/1090855833.db2.gz LFFMURARPPSLOJ-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC001204050294 1090883610 /nfs/dbraw/zinc/88/36/10/1090883610.db2.gz SBSWRBKOHIYDSW-HNNXBMFYSA-N 0 3 313.401 3.045 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001276439684 1090895573 /nfs/dbraw/zinc/89/55/73/1090895573.db2.gz IRENTDRDJGAEBD-AWEZNQCLSA-N 0 3 320.502 3.329 20 30 DGEDHN N#Cc1ccc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001204277573 1090938050 /nfs/dbraw/zinc/93/80/50/1090938050.db2.gz FPIYRXMQNJYWOX-UHFFFAOYSA-N 0 3 308.381 3.349 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H](CC(=O)OCC)C2)cc1 ZINC001204297629 1090942893 /nfs/dbraw/zinc/94/28/93/1090942893.db2.gz LRWYOSNUTKGSQM-QGZVFWFLSA-N 0 3 317.429 3.417 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC001204356845 1090955037 /nfs/dbraw/zinc/95/50/37/1090955037.db2.gz HZMLFWRFHAVHFH-QGZVFWFLSA-N 0 3 302.418 3.180 20 30 DGEDHN C=C(C)CCC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001128405234 1090955922 /nfs/dbraw/zinc/95/59/22/1090955922.db2.gz VCRCMJDVBXVYGP-UHFFFAOYSA-N 0 3 303.450 3.076 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1)c1ccccc1 ZINC001276467454 1090976748 /nfs/dbraw/zinc/97/67/48/1090976748.db2.gz BCLVMKRVZGVYBI-QFBILLFUSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204532288 1090992872 /nfs/dbraw/zinc/99/28/72/1090992872.db2.gz VAGIZMXWJVLUHE-UHFFFAOYSA-N 0 3 318.417 3.117 20 30 DGEDHN C=CCN1CC[C@]2(CCCN2CCCc2ccccc2F)C1=O ZINC001273037302 1091011727 /nfs/dbraw/zinc/01/17/27/1091011727.db2.gz XITMRJRMCUUJFY-LJQANCHMSA-N 0 3 316.420 3.011 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1ccncc1Cl ZINC001273043667 1091014492 /nfs/dbraw/zinc/01/44/92/1091014492.db2.gz GEHDZPCVZBDNPL-ZDUSSCGKSA-N 0 3 323.868 3.322 20 30 DGEDHN C#CCCCCC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001273068250 1091025311 /nfs/dbraw/zinc/02/53/11/1091025311.db2.gz FNZZBEHFPREIJM-UHFFFAOYSA-N 0 3 304.459 3.070 20 30 DGEDHN CC/C=C\CCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001273116695 1091052641 /nfs/dbraw/zinc/05/26/41/1091052641.db2.gz RWDSPZKHZKWZNK-ZRHASKPBSA-N 0 3 317.477 3.494 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108104985 1091069516 /nfs/dbraw/zinc/06/95/16/1091069516.db2.gz QJMRRJFLQMODAH-APWZRJJASA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)c1ccccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001128869322 1091099407 /nfs/dbraw/zinc/09/94/07/1091099407.db2.gz FRWJUNSUMPWOCA-UHFFFAOYSA-N 0 3 321.424 3.201 20 30 DGEDHN N#Cc1ccc(-c2noc([C@H]3CCNC[C@H]3F)n2)c2ccccc12 ZINC001205220741 1091135422 /nfs/dbraw/zinc/13/54/22/1091135422.db2.gz ZMZJPDURHYVSRP-JKSUJKDBSA-N 0 3 322.343 3.176 20 30 DGEDHN C#CCOc1ccc(CN(C)CCC(=O)c2ccccc2)cc1 ZINC001138557399 1091227038 /nfs/dbraw/zinc/22/70/38/1091227038.db2.gz KAYQUCGSVJNLKH-UHFFFAOYSA-N 0 3 307.393 3.403 20 30 DGEDHN C#CCOc1ccc(CN2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC001138559039 1091228025 /nfs/dbraw/zinc/22/80/25/1091228025.db2.gz MGQBCVOCTYHHKZ-NRFANRHFSA-N 0 3 320.436 3.187 20 30 DGEDHN C#CCOc1ccc(CN(CC)Cc2ccc3c(c2)OCO3)cc1 ZINC001138561106 1091231426 /nfs/dbraw/zinc/23/14/26/1091231426.db2.gz ZYPBRQFDHINAHB-UHFFFAOYSA-N 0 3 323.392 3.449 20 30 DGEDHN CC1(C)[C@H](NCc2cccc(C#N)n2)C[C@@H]1OCc1ccccc1 ZINC001205489597 1091235080 /nfs/dbraw/zinc/23/50/80/1091235080.db2.gz VCTLUWCYSQVIEZ-MOPGFXCFSA-N 0 3 321.424 3.427 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2CCc3cc(CO)ccc3C2)c1[O-] ZINC001138625570 1091260093 /nfs/dbraw/zinc/26/00/93/1091260093.db2.gz OYQUMEMQGNSGQS-UHFFFAOYSA-N 0 3 309.409 3.171 20 30 DGEDHN C=CCc1cccc(C[N@H+]2CCc3cc(CO)ccc3C2)c1[O-] ZINC001138625570 1091260100 /nfs/dbraw/zinc/26/01/00/1091260100.db2.gz OYQUMEMQGNSGQS-UHFFFAOYSA-N 0 3 309.409 3.171 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001138661596 1091279597 /nfs/dbraw/zinc/27/95/97/1091279597.db2.gz DOVZVSYTTDINRB-QGZVFWFLSA-N 0 3 315.438 3.416 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](c2ccccc2)C(C)C)CCC1 ZINC001273162026 1091279708 /nfs/dbraw/zinc/27/97/08/1091279708.db2.gz QSPMFNKNIZJFQM-SFHVURJKSA-N 0 3 312.457 3.078 20 30 DGEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001084158022 1091450706 /nfs/dbraw/zinc/45/07/06/1091450706.db2.gz LRXJRUFHSJIIAB-HUUCEWRRSA-N 0 3 304.459 3.169 20 30 DGEDHN Cc1cccc([C@@H](C)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1 ZINC001084334613 1091477695 /nfs/dbraw/zinc/47/76/95/1091477695.db2.gz BJABSZIFLDOIRB-NSISKUIASA-N 0 3 322.452 3.002 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(Cl)cnc2C)no1 ZINC001206100702 1091492345 /nfs/dbraw/zinc/49/23/45/1091492345.db2.gz SFNJBRAJZHRSQZ-UHFFFAOYSA-N 0 3 304.781 3.202 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc3c(C)n(C)nc32)no1 ZINC001206099778 1091492737 /nfs/dbraw/zinc/49/27/37/1091492737.db2.gz DKJGXVYEQGRUMV-UHFFFAOYSA-N 0 3 323.400 3.041 20 30 DGEDHN C=CCCCC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001206106062 1091493865 /nfs/dbraw/zinc/49/38/65/1091493865.db2.gz UJJVBWODDKQXDT-GXDHUFHOSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)[C@@H]2C1 ZINC001084533498 1091499579 /nfs/dbraw/zinc/49/95/79/1091499579.db2.gz SJIPYJKVJYDANP-WQZMEWCLSA-N 0 3 324.468 3.073 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C3CC3)[C@@H]2C1 ZINC001084544976 1091501817 /nfs/dbraw/zinc/50/18/17/1091501817.db2.gz PQKVCAPEZQONNS-YLJYHZDGSA-N 0 3 322.452 3.042 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC3CCCCC3)[C@@H]2C1 ZINC001084697989 1091541151 /nfs/dbraw/zinc/54/11/51/1091541151.db2.gz FQGAIXASIVYZKP-QXAKKESOSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)[C@@H]2C1 ZINC001084714865 1091547139 /nfs/dbraw/zinc/54/71/39/1091547139.db2.gz CNBAIRKRGCFBFZ-GSEOLPGOSA-N 0 3 324.468 3.207 20 30 DGEDHN COc1cc(C)cc(CNCc2ccc(C#N)c(F)c2)c1O ZINC001206293016 1091565696 /nfs/dbraw/zinc/56/56/96/1091565696.db2.gz PFEDUNDIVZGCGM-UHFFFAOYSA-N 0 3 300.333 3.010 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc4c(cccc4C)o3)[C@@H]2C1 ZINC001084859820 1091596620 /nfs/dbraw/zinc/59/66/20/1091596620.db2.gz MZTCHEHERPROJL-NVXWUHKLSA-N 0 3 324.424 3.464 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C[C@@H]21 ZINC001084944595 1091621726 /nfs/dbraw/zinc/62/17/26/1091621726.db2.gz YPVXHYWURBCNND-XDNAFOTISA-N 0 3 316.489 3.005 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC=CCCC3)C[C@@H]21 ZINC001084969518 1091626726 /nfs/dbraw/zinc/62/67/26/1091626726.db2.gz MCCCYCKTYFTAJP-QRVBRYPASA-N 0 3 314.473 3.069 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1cccc(C)c1 ZINC001273249292 1091631571 /nfs/dbraw/zinc/63/15/71/1091631571.db2.gz NTMZKWGOIRTPGG-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN N#Cc1cccc2c(CN3CC[C@@H](Oc4cccnc4)C3)c[nH]c21 ZINC001139702960 1091646351 /nfs/dbraw/zinc/64/63/51/1091646351.db2.gz DPIKMZMTFILIEA-QGZVFWFLSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C[C@@H]21 ZINC001085057564 1091653732 /nfs/dbraw/zinc/65/37/32/1091653732.db2.gz KUJRCAONMJIARH-LESCRADOSA-N 0 3 316.445 3.109 20 30 DGEDHN Cc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)cc1C#N ZINC001139725394 1091654176 /nfs/dbraw/zinc/65/41/76/1091654176.db2.gz NSLOBZUVZGENAV-UHFFFAOYSA-N 0 3 318.424 3.135 20 30 DGEDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C)c(C#N)c1)C2 ZINC001139725727 1091654215 /nfs/dbraw/zinc/65/42/15/1091654215.db2.gz YXOAOZYZZHVUHJ-RBUKOAKNSA-N 0 3 314.429 3.027 20 30 DGEDHN Cc1ccc(CN(Cc2cccnc2)C2CCOCC2)cc1C#N ZINC001139726589 1091656109 /nfs/dbraw/zinc/65/61/09/1091656109.db2.gz URHGKUYRPPIKJI-UHFFFAOYSA-N 0 3 321.424 3.443 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001206536893 1091661714 /nfs/dbraw/zinc/66/17/14/1091661714.db2.gz CWRHYBRQWMDDAI-RDTXWAMCSA-N 0 3 311.429 3.071 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001206543850 1091663924 /nfs/dbraw/zinc/66/39/24/1091663924.db2.gz BKRXLTNGTLRAMD-RVKKMQEKSA-N 0 3 316.445 3.159 20 30 DGEDHN C=CCn1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cn1 ZINC001139770072 1091667807 /nfs/dbraw/zinc/66/78/07/1091667807.db2.gz BNCJIUUDDBVZKY-UHFFFAOYSA-N 0 3 320.440 3.395 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@]3(C)CC=C(C)CC3)C[C@@H]21 ZINC001085098995 1091670068 /nfs/dbraw/zinc/67/00/68/1091670068.db2.gz YFPNLXPWSMUZRC-ZIFCJYIRSA-N 0 3 302.462 3.232 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1ccccc1OC ZINC001139869300 1091695841 /nfs/dbraw/zinc/69/58/41/1091695841.db2.gz DTEXCOYKLHZQOD-MRXNPFEDSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)c(F)cc1Cl ZINC001139866053 1091695876 /nfs/dbraw/zinc/69/58/76/1091695876.db2.gz XSJOHRLMMDMBSB-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cscc1C(F)(F)F ZINC001139869532 1091696148 /nfs/dbraw/zinc/69/61/48/1091696148.db2.gz KMERZMFJMKFEQV-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001085225146 1091718574 /nfs/dbraw/zinc/71/85/74/1091718574.db2.gz KVEAELDVJNABHU-HUUCEWRRSA-N 0 3 321.852 3.057 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1CC ZINC001085252604 1091725622 /nfs/dbraw/zinc/72/56/22/1091725622.db2.gz XEYLDDNBQLUTKF-HUUCEWRRSA-N 0 3 321.852 3.027 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001085384938 1091763306 /nfs/dbraw/zinc/76/33/06/1091763306.db2.gz ZWQNEDFSWIERIX-RRFJBIMHSA-N 0 3 310.869 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC001085411974 1091769456 /nfs/dbraw/zinc/76/94/56/1091769456.db2.gz WRFZJGNXCXMVAK-HZPDHXFCSA-N 0 3 324.827 3.138 20 30 DGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC001140136441 1091781503 /nfs/dbraw/zinc/78/15/03/1091781503.db2.gz ASBBDPMQRXFSIV-AEFFLSMTSA-N 0 3 302.393 3.336 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641371 1091865901 /nfs/dbraw/zinc/86/59/01/1091865901.db2.gz KPWROCOKJHSXOO-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C1CCc2ccccc2CC1 ZINC001297372679 1091870913 /nfs/dbraw/zinc/87/09/13/1091870913.db2.gz APPUYUJTRHPDKQ-UHFFFAOYSA-N 0 3 314.473 3.148 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085708228 1091888819 /nfs/dbraw/zinc/88/88/19/1091888819.db2.gz CDAUFIUYYDXKBR-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)n(CC)c1C ZINC001085703933 1091888898 /nfs/dbraw/zinc/88/88/98/1091888898.db2.gz CLBPJZNBUXJRNK-QGZVFWFLSA-N 0 3 317.477 3.237 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738500 1091905657 /nfs/dbraw/zinc/90/56/57/1091905657.db2.gz NROJSAQYODWBHM-ZJPYXAASSA-N 0 3 304.478 3.312 20 30 DGEDHN CCCCCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207354057 1091935819 /nfs/dbraw/zinc/93/58/19/1091935819.db2.gz ZNDDNWXXXBHRND-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C=CCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001207362125 1091939310 /nfs/dbraw/zinc/93/93/10/1091939310.db2.gz DRFLQZBQZLMNPF-INIZCTEOSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085790242 1091940398 /nfs/dbraw/zinc/94/03/98/1091940398.db2.gz FCNGJJBEPBUIBK-CYBMUJFWSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837239 1091959957 /nfs/dbraw/zinc/95/99/57/1091959957.db2.gz FZBMMBVRMBOXTK-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001207500725 1091992892 /nfs/dbraw/zinc/99/28/92/1091992892.db2.gz VTICGZPJHQXIAK-HKUYNNGSSA-N 0 3 319.420 3.194 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC001085916334 1092009876 /nfs/dbraw/zinc/00/98/76/1092009876.db2.gz XJSMYSQOKPFSHA-OAHLLOKOSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001085921449 1092015234 /nfs/dbraw/zinc/01/52/34/1092015234.db2.gz CWEWBIJIYDEWAA-KRWDZBQOSA-N 0 3 323.440 3.404 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085922166 1092016261 /nfs/dbraw/zinc/01/62/61/1092016261.db2.gz WJTDFTKLJDCARQ-OAHLLOKOSA-N 0 3 304.434 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954507 1092042156 /nfs/dbraw/zinc/04/21/56/1092042156.db2.gz CGGFQXOCRRVMAY-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC001085960824 1092057474 /nfs/dbraw/zinc/05/74/74/1092057474.db2.gz PNWCGXLSJAAPGV-KRWDZBQOSA-N 0 3 300.446 3.334 20 30 DGEDHN CC(C)(C)/C=C/C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207710183 1092076176 /nfs/dbraw/zinc/07/61/76/1092076176.db2.gz HLOGKLYEDHJKBB-JKIKYLSZSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950230 1092077640 /nfs/dbraw/zinc/07/76/40/1092077640.db2.gz WLAZMGSCRIYLAT-IEBWSBKVSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950230 1092077649 /nfs/dbraw/zinc/07/76/49/1092077649.db2.gz WLAZMGSCRIYLAT-IEBWSBKVSA-N 0 3 317.429 3.027 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207719026 1092081376 /nfs/dbraw/zinc/08/13/76/1092081376.db2.gz XUBRNMGISWNKDL-HKUYNNGSSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC001207944069 1092151322 /nfs/dbraw/zinc/15/13/22/1092151322.db2.gz HYYBTBKHVWIGJD-KRWDZBQOSA-N 0 3 324.424 3.317 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001207944070 1092151780 /nfs/dbraw/zinc/15/17/80/1092151780.db2.gz HYYBTBKHVWIGJD-QGZVFWFLSA-N 0 3 324.424 3.317 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001086240146 1092176263 /nfs/dbraw/zinc/17/62/63/1092176263.db2.gz QURAVSLPEXJPPI-SLBVQIDZSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001086257594 1092180824 /nfs/dbraw/zinc/18/08/24/1092180824.db2.gz KIXDPHJGEXRZKY-ZNNBLSDJSA-N 0 3 312.885 3.440 20 30 DGEDHN CCC(CC)CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491622879 1092190955 /nfs/dbraw/zinc/19/09/55/1092190955.db2.gz CSGLEXNKFDVONI-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@@H](CC(C)C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001491632479 1092193301 /nfs/dbraw/zinc/19/33/01/1092193301.db2.gz KUWGYQWDFVJGDO-KBPBESRZSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1sccc1OC)C2 ZINC001141324623 1092208527 /nfs/dbraw/zinc/20/85/27/1092208527.db2.gz NAWRZRRBQLTIOI-YOEHRIQHSA-N 0 3 323.458 3.083 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001086370339 1092225188 /nfs/dbraw/zinc/22/51/88/1092225188.db2.gz BPHOHLGLWCXWFW-ZQDZILKHSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cscc2Cl)C1 ZINC001086394996 1092233085 /nfs/dbraw/zinc/23/30/85/1092233085.db2.gz IPOWRJVFADITGZ-MGCOHNPYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(CC[C@H](C)c2ccc(C)o2)C1 ZINC001208165741 1092234413 /nfs/dbraw/zinc/23/44/13/1092234413.db2.gz SZUFPNLGHKRMQY-GOEBONIOSA-N 0 3 320.433 3.458 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccccc2CCC)C1 ZINC001086424195 1092243929 /nfs/dbraw/zinc/24/39/29/1092243929.db2.gz NNWGBJMJQKEWCN-KOMQPUFPSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](NC(=O)N(C)C)C2)CC1 ZINC001208178516 1092244010 /nfs/dbraw/zinc/24/40/10/1092244010.db2.gz IKOUERICQTVWCZ-IAGOWNOFSA-N 0 3 305.466 3.025 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001208197876 1092257417 /nfs/dbraw/zinc/25/74/17/1092257417.db2.gz NFWSYNBTOBBZMN-RBUKOAKNSA-N 0 3 319.420 3.194 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001208239909 1092288539 /nfs/dbraw/zinc/28/85/39/1092288539.db2.gz GTKHGRKHINDJCU-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2c(C)nsc2C)C1 ZINC001208255151 1092292867 /nfs/dbraw/zinc/29/28/67/1092292867.db2.gz BXNAXAJDLBNJJH-OAHLLOKOSA-N 0 3 321.490 3.197 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001208255620 1092294353 /nfs/dbraw/zinc/29/43/53/1092294353.db2.gz NHPHFJSXIWDYNI-HNNXBMFYSA-N 0 3 322.399 3.402 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001491964877 1092327425 /nfs/dbraw/zinc/32/74/25/1092327425.db2.gz CUNXCVXSQDPBPJ-AZUAARDMSA-N 0 3 316.489 3.459 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn(C)c2ccccc12 ZINC001492053348 1092362583 /nfs/dbraw/zinc/36/25/83/1092362583.db2.gz JMGVMSLCBSOMLV-CYBMUJFWSA-N 0 3 319.836 3.029 20 30 DGEDHN CC(C)(C)CCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001168795200 1092365180 /nfs/dbraw/zinc/36/51/80/1092365180.db2.gz MGVCQIRALQTSDQ-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2ccsc2c1 ZINC001492067829 1092367633 /nfs/dbraw/zinc/36/76/33/1092367633.db2.gz PBZUEGUUOPUPOQ-LLVKDONJSA-N 0 3 323.849 3.147 20 30 DGEDHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972302 1092372091 /nfs/dbraw/zinc/37/20/91/1092372091.db2.gz GAXNABIJSRSTJQ-WBVHZDCISA-N 0 3 311.450 3.493 20 30 DGEDHN C(#Cc1ccccc1)c1ccc(CN2CCC3(COC3)C2)s1 ZINC001141972669 1092373539 /nfs/dbraw/zinc/37/35/39/1092373539.db2.gz PNAQIWQARFORMK-UHFFFAOYSA-N 0 3 309.434 3.370 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001208559243 1092395521 /nfs/dbraw/zinc/39/55/21/1092395521.db2.gz JLJVSFAGEIGUED-SOLBZPMBSA-N 0 3 322.493 3.127 20 30 DGEDHN C[C@@H]1C[C@@H](N2CCC[C@H](C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168863945 1092404633 /nfs/dbraw/zinc/40/46/33/1092404633.db2.gz KXDUIACRRZYABJ-QLFBSQMISA-N 0 3 307.438 3.010 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC001208743490 1092486040 /nfs/dbraw/zinc/48/60/40/1092486040.db2.gz VORFAVYRLCAQGM-INIZCTEOSA-N 0 3 322.836 3.259 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(OC)c(C)c1 ZINC001492399137 1092494405 /nfs/dbraw/zinc/49/44/05/1092494405.db2.gz DJCNDGJBKCCBTG-LJQANCHMSA-N 0 3 318.461 3.154 20 30 DGEDHN CC1(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001208817905 1092524973 /nfs/dbraw/zinc/52/49/73/1092524973.db2.gz UPEACACYEZRQRQ-LJQANCHMSA-N 0 3 324.468 3.199 20 30 DGEDHN Cc1ccc(N2CCN(CCCc3cccc(C#N)c3)CC2)nc1 ZINC001208853663 1092545167 /nfs/dbraw/zinc/54/51/67/1092545167.db2.gz RGORMAMIDYCMQZ-UHFFFAOYSA-N 0 3 320.440 3.017 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208919907 1092584697 /nfs/dbraw/zinc/58/46/97/1092584697.db2.gz XKJHWWFTUKLITE-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN N#Cc1ccc(CCN2CCN(c3cccc(F)c3)CC2)cc1 ZINC001208928504 1092590694 /nfs/dbraw/zinc/59/06/94/1092590694.db2.gz FNCRBLGXDIYOFW-UHFFFAOYSA-N 0 3 309.388 3.062 20 30 DGEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)c(N)n1 ZINC001143207790 1092633220 /nfs/dbraw/zinc/63/32/20/1092633220.db2.gz GHANEJSGQOOUDC-UHFFFAOYSA-N 0 3 306.413 3.224 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209052089 1092635378 /nfs/dbraw/zinc/63/53/78/1092635378.db2.gz LYHVYYMMWMPEFK-MTGKDYNDSA-N 0 3 322.452 3.141 20 30 DGEDHN C[C@]1(C#N)CCN(C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169307379 1092641456 /nfs/dbraw/zinc/64/14/56/1092641456.db2.gz MCJOGAXWQAWMPI-FAFZWHIHSA-N 0 3 312.413 3.390 20 30 DGEDHN CCC[C@](C)(CC)C(=O)NCCCNCc1ccccc1C#N ZINC001169361032 1092652128 /nfs/dbraw/zinc/65/21/28/1092652128.db2.gz MALBTIRMLTVTAM-IBGZPJMESA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001209146759 1092671942 /nfs/dbraw/zinc/67/19/42/1092671942.db2.gz QJUKJJLHFBTEEF-AEFFLSMTSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001209182621 1092684374 /nfs/dbraw/zinc/68/43/74/1092684374.db2.gz FTKXAWTYMHCRJX-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN CC1(C(=O)N[C@H](CNCC#Cc2ccccc2)C2CC2)CCCC1 ZINC001276633257 1092736593 /nfs/dbraw/zinc/73/65/93/1092736593.db2.gz DYGCLTGVBADZPK-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209373986 1092746501 /nfs/dbraw/zinc/74/65/01/1092746501.db2.gz HYKNSWBEQJFPQW-GFCCVEGCSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001150184926 1092761451 /nfs/dbraw/zinc/76/14/51/1092761451.db2.gz FSSHCEBMJRPIBU-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN CC[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC001209459940 1092783850 /nfs/dbraw/zinc/78/38/50/1092783850.db2.gz CXMKGDJDVHZKMS-MRXNPFEDSA-N 0 3 317.433 3.293 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1C)c1ccccc1 ZINC001211227882 1093428073 /nfs/dbraw/zinc/42/80/73/1093428073.db2.gz BATZNJXKAPWXFC-ZHALLVOQSA-N 0 3 312.457 3.359 20 30 DGEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001211242306 1093430682 /nfs/dbraw/zinc/43/06/82/1093430682.db2.gz ZPOFBOGCWDZQGM-BHIYHBOVSA-N 0 3 312.457 3.359 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCc2cc(C)sc2C)C1 ZINC001211390958 1093478214 /nfs/dbraw/zinc/47/82/14/1093478214.db2.gz FGNLLZVPEWTQLJ-CXAGYDPISA-N 0 3 320.502 3.310 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001211396851 1093480759 /nfs/dbraw/zinc/48/07/59/1093480759.db2.gz DVXOHCWAPFHTCW-FHLIZLRMSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001211406385 1093485658 /nfs/dbraw/zinc/48/56/58/1093485658.db2.gz NYIYYQHGELQXFC-KZNAEPCWSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(N(C)C)c2)no1 ZINC001211436127 1093494128 /nfs/dbraw/zinc/49/41/28/1093494128.db2.gz BRUSWJZYTPLZQO-UHFFFAOYSA-N 0 3 312.417 3.302 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(CC)CCC2)[C@H](OC)C1 ZINC001213308894 1093563741 /nfs/dbraw/zinc/56/37/41/1093563741.db2.gz HGJQBGUKFUGPQF-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)C(CC(C)C)CC(C)C)[C@H](OC)C1 ZINC001213934454 1093682555 /nfs/dbraw/zinc/68/25/55/1093682555.db2.gz ULYUJLMWCQEOSW-QZTJIDSGSA-N 0 3 324.509 3.086 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001214301613 1093752518 /nfs/dbraw/zinc/75/25/18/1093752518.db2.gz GNQQRBCUPNRGDC-CRAIPNDOSA-N 0 3 315.461 3.108 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001214582216 1093806339 /nfs/dbraw/zinc/80/63/39/1093806339.db2.gz JWGZEPNHSJKAIA-CRAIPNDOSA-N 0 3 324.424 3.029 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215465736 1093986612 /nfs/dbraw/zinc/98/66/12/1093986612.db2.gz SUWBAAQCAQGIPA-LALPHHSUSA-N 0 3 319.276 3.344 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCC#N)cc1 ZINC000404678310 1094264897 /nfs/dbraw/zinc/26/48/97/1094264897.db2.gz IKBVMMKVTNFDMV-CYBMUJFWSA-N 0 3 309.344 3.451 20 30 DGEDHN C#Cc1ccccc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001216865077 1094272015 /nfs/dbraw/zinc/27/20/15/1094272015.db2.gz HOJGNGNMAFNNSE-UHFFFAOYSA-N 0 3 303.365 3.447 20 30 DGEDHN Cc1cc(-c2noc(-c3cc4c(s3)CCNC4)n2)ccc1C#N ZINC001217294622 1094363003 /nfs/dbraw/zinc/36/30/03/1094363003.db2.gz JGKUMGDTHPVRPQ-UHFFFAOYSA-N 0 3 322.393 3.291 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)CC1(C)CC1)NCc1ccccc1C#N ZINC001135062025 1094389202 /nfs/dbraw/zinc/38/92/02/1094389202.db2.gz ILJBMGANEKNGTQ-HUUCEWRRSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(=C)Cl)C1 ZINC001120348642 1094410782 /nfs/dbraw/zinc/41/07/82/1094410782.db2.gz ZGPYMNYTALAXNT-HOTGVXAUSA-N 0 3 310.869 3.408 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)/C(C)=C/CC)[C@H]2C1 ZINC001217441639 1094411919 /nfs/dbraw/zinc/41/19/19/1094411919.db2.gz FGUWILRIRUAOKB-HMBXQEKBSA-N 0 3 320.477 3.001 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1cccc(-c2ccccc2)c1 ZINC001217501035 1094426805 /nfs/dbraw/zinc/42/68/05/1094426805.db2.gz UOUXQEYGZNXVFB-UHFFFAOYSA-N 0 3 321.424 3.430 20 30 DGEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)/C=C(/C)CC)[C@H]2C1 ZINC001217815862 1094499613 /nfs/dbraw/zinc/49/96/13/1094499613.db2.gz YWOJGTCZSJYGPU-PEYJGKETSA-N 0 3 320.477 3.001 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OC(Cl)(Cl)c1ccccc1Cl ZINC001217830527 1094500955 /nfs/dbraw/zinc/50/09/55/1094500955.db2.gz GOMLXEMIEJMRNW-LDYMZIIASA-N 0 3 305.592 3.056 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135357284 1094501022 /nfs/dbraw/zinc/50/10/22/1094501022.db2.gz AHVQMJVFLSEALT-QWHCGFSZSA-N 0 3 307.438 3.021 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135358479 1094502158 /nfs/dbraw/zinc/50/21/58/1094502158.db2.gz SNZBTEQNXHDQDO-OLZOCXBDSA-N 0 3 309.479 3.181 20 30 DGEDHN N#C[C@@H]1CNC[C@@H]1OC1c2ccccc2CCc2ccccc21 ZINC001217832541 1094502531 /nfs/dbraw/zinc/50/25/31/1094502531.db2.gz OXAOEHHCUWKGOS-APWZRJJASA-N 0 3 304.393 3.003 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)C[C@H](C)NCc2nccs2)CCC1 ZINC001135391619 1094512619 /nfs/dbraw/zinc/51/26/19/1094512619.db2.gz UKRXVJWPPSJPNL-UONOGXRCSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)C[C@H](C)NCc2nccs2)CCC1 ZINC001135391617 1094512886 /nfs/dbraw/zinc/51/28/86/1094512886.db2.gz UKRXVJWPPSJPNL-KBPBESRZSA-N 0 3 321.490 3.262 20 30 DGEDHN CCC1(C(=O)N[C@H](C)C[C@H](C)NCc2ccccc2C#N)CC1 ZINC001135398208 1094517200 /nfs/dbraw/zinc/51/72/00/1094517200.db2.gz IMQSJYQKOGIEGG-LSDHHAIUSA-N 0 3 313.445 3.121 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@@H](C)NCc2nccs2)CC1 ZINC001135416096 1094528482 /nfs/dbraw/zinc/52/84/82/1094528482.db2.gz QBEVMDJSBSXBOE-ZIAGYGMSSA-N 0 3 321.490 3.262 20 30 DGEDHN CCn1c2ccccc2nc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC001336728995 1094712602 /nfs/dbraw/zinc/71/26/02/1094712602.db2.gz WAQUTWDNCBXAOV-KBPBESRZSA-N 0 3 314.433 3.008 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121616483 1094727867 /nfs/dbraw/zinc/72/78/67/1094727867.db2.gz LYSFSRVZBJCSDH-VPCQXRJPSA-N 0 3 310.869 3.358 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1C ZINC001103839652 1094769954 /nfs/dbraw/zinc/76/99/54/1094769954.db2.gz XXFAXTVSEHSPSV-IUODEOHRSA-N 0 3 324.827 3.266 20 30 DGEDHN CCC[C@@H](C#Cc1ccccc1)Oc1ccc2c(n1)CCNC2 ZINC001218438234 1094773997 /nfs/dbraw/zinc/77/39/97/1094773997.db2.gz HPWIKWKBTHAGCA-SFHVURJKSA-N 0 3 306.409 3.327 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1C ZINC001103865517 1094777656 /nfs/dbraw/zinc/77/76/56/1094777656.db2.gz WISKBGDABVDYHJ-DGCLKSJQSA-N 0 3 312.866 3.188 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC001121881642 1094810642 /nfs/dbraw/zinc/81/06/42/1094810642.db2.gz QCTVRSKUCSPBGU-KCXAZCMYSA-N 0 3 324.852 3.216 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 ZINC001121965994 1094849585 /nfs/dbraw/zinc/84/95/85/1094849585.db2.gz OOZPLZKPCQGXAC-GDBMZVCRSA-N 0 3 312.417 3.115 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC001122106783 1094901719 /nfs/dbraw/zinc/90/17/19/1094901719.db2.gz UELUJVZKEPWREO-OAHLLOKOSA-N 0 3 310.800 3.002 20 30 DGEDHN C=C(C)CCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001337253916 1094910185 /nfs/dbraw/zinc/91/01/85/1094910185.db2.gz PUMHVOPTUURJHX-QGZVFWFLSA-N 0 3 300.446 3.323 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CCCC)C1 ZINC001111609278 1094927103 /nfs/dbraw/zinc/92/71/03/1094927103.db2.gz VWEUPNAJUHCTCX-AOIWGVFYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001219044197 1094933124 /nfs/dbraw/zinc/93/31/24/1094933124.db2.gz AIPBKFLZZYAZFX-INIZCTEOSA-N 0 3 310.401 3.442 20 30 DGEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H](CC)CCCCC)[C@H]2C1 ZINC001219045299 1094933184 /nfs/dbraw/zinc/93/31/84/1094933184.db2.gz ABHYGCQTRHJAJV-OKZBNKHCSA-N 0 3 322.493 3.081 20 30 DGEDHN C[Si](C)(C)C#Cc1cccc(NC(=O)c2ccc(CN)nc2)c1 ZINC001219311233 1094961736 /nfs/dbraw/zinc/96/17/36/1094961736.db2.gz VAVNGFZUOAPPRO-UHFFFAOYSA-N 0 3 323.472 3.022 20 30 DGEDHN N#Cc1ccc(-c2ccccc2NC(=O)[C@@H](N)CC2CCC2)nc1 ZINC001219422697 1094975936 /nfs/dbraw/zinc/97/59/36/1094975936.db2.gz OUPGICNKXKNPCQ-INIZCTEOSA-N 0 3 320.396 3.076 20 30 DGEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCCCN1C ZINC001337477914 1094990152 /nfs/dbraw/zinc/99/01/52/1094990152.db2.gz AKMNXBCAOUIKAK-CQSZACIVSA-N 0 3 304.459 3.179 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001122517625 1094997275 /nfs/dbraw/zinc/99/72/75/1094997275.db2.gz GGRCXPLDRBPTGL-IXDOHACOSA-N 0 3 307.397 3.255 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001111941046 1095016052 /nfs/dbraw/zinc/01/60/52/1095016052.db2.gz BQKNBICVBXEJSQ-IPYPFGDCSA-N 0 3 318.383 3.122 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001111936541 1095017785 /nfs/dbraw/zinc/01/77/85/1095017785.db2.gz NNYVQLNLFZKIIZ-AOIWGVFYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@@](C)(F)CCCC)C[C@H]1C(F)(F)F ZINC001112124276 1095037435 /nfs/dbraw/zinc/03/74/35/1095037435.db2.gz DJULXSJOJCXFLE-BZPMIXESSA-N 0 3 324.362 3.070 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](C)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001112199299 1095042569 /nfs/dbraw/zinc/04/25/69/1095042569.db2.gz QCQVHERTGKAWFI-JHJVBQTASA-N 0 3 320.399 3.224 20 30 DGEDHN CCOc1ncc(C(=O)C(C#N)c2cccc(F)n2)cc1Cl ZINC001122713649 1095042497 /nfs/dbraw/zinc/04/24/97/1095042497.db2.gz CDSLELGJRXBVKG-SNVBAGLBSA-N 0 3 319.723 3.158 20 30 DGEDHN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(F)n1 ZINC001122715125 1095044784 /nfs/dbraw/zinc/04/47/84/1095044784.db2.gz XOEFKSAJCPZMOG-NSHDSACASA-N 0 3 319.679 3.272 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC)c(OCC(=C)C)c2)C1 ZINC001337728322 1095075496 /nfs/dbraw/zinc/07/54/96/1095075496.db2.gz SSQMDRDGQARUPO-QGZVFWFLSA-N 0 3 317.429 3.427 20 30 DGEDHN C#Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)cc1 ZINC001220382521 1095090368 /nfs/dbraw/zinc/09/03/68/1095090368.db2.gz ZJPMZXHTAIHVKB-PMACEKPBSA-N 0 3 318.420 3.168 20 30 DGEDHN C#Cc1ccc(CNC(=O)[C@H]2CCC[C@H](c3ccccc3)N2)cc1 ZINC001220382524 1095090697 /nfs/dbraw/zinc/09/06/97/1095090697.db2.gz ZJPMZXHTAIHVKB-WOJBJXKFSA-N 0 3 318.420 3.168 20 30 DGEDHN C=CCCCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220484865 1095104256 /nfs/dbraw/zinc/10/42/56/1095104256.db2.gz YAMBTISIQZBOFX-CYBMUJFWSA-N 0 3 300.324 3.178 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1nccn1CC ZINC001171035164 1095168404 /nfs/dbraw/zinc/16/84/04/1095168404.db2.gz GMYOOHXLYDLWJZ-MRXNPFEDSA-N 0 3 320.481 3.024 20 30 DGEDHN C=C(C)Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC001221401230 1095258559 /nfs/dbraw/zinc/25/85/59/1095258559.db2.gz YGFXYURFTLHYGT-FQEVSTJZSA-N 0 3 320.436 3.250 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3cccc(CC)c3)C[C@H]21 ZINC001221514332 1095287691 /nfs/dbraw/zinc/28/76/91/1095287691.db2.gz SHGVYIUQILMDRU-WOJBJXKFSA-N 0 3 324.468 3.085 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)CC(C)(F)F)CCCCC1 ZINC001115715683 1095353165 /nfs/dbraw/zinc/35/31/65/1095353165.db2.gz RRDSUXYVFMHJCC-UHFFFAOYSA-N 0 3 308.800 3.193 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C(C)(F)F)CCCCC1 ZINC001115734440 1095359411 /nfs/dbraw/zinc/35/94/11/1095359411.db2.gz NHULLOVBKDTQLE-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cccc(O)c1C)C2 ZINC001144116920 1095517112 /nfs/dbraw/zinc/51/71/12/1095517112.db2.gz OQPATVKOUZOBEU-HKUYNNGSSA-N 0 3 317.429 3.027 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#N)cn2)CC[C@@]1(C)c1cccc(O)c1 ZINC001144163000 1095540896 /nfs/dbraw/zinc/54/08/96/1095540896.db2.gz HXLYTQHLJHGQSL-MGPUTAFESA-N 0 3 321.424 3.459 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2sc(N3CCCCC3)nc2C)C1 ZINC001116554682 1095598514 /nfs/dbraw/zinc/59/85/14/1095598514.db2.gz AZPMUYANECTYMD-HNNXBMFYSA-N 0 3 321.490 3.219 20 30 DGEDHN C#Cc1ccc(CN2CCCN(c3ncccc3C)CC2)cc1 ZINC001144573192 1095722585 /nfs/dbraw/zinc/72/25/85/1095722585.db2.gz DIGXNKNWYRMYFO-UHFFFAOYSA-N 0 3 305.425 3.084 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001091177182 1095743480 /nfs/dbraw/zinc/74/34/80/1095743480.db2.gz BYWPGGTYCFANIV-UHFFFAOYSA-N 0 3 324.827 3.293 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2c(C)cccc2C)C1 ZINC001137854479 1095766907 /nfs/dbraw/zinc/76/69/07/1095766907.db2.gz YCTJMHASBSTDGI-MRXNPFEDSA-N 0 3 302.418 3.180 20 30 DGEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC001144721653 1095788500 /nfs/dbraw/zinc/78/85/00/1095788500.db2.gz XGYQHVDIHSQKLQ-MRXNPFEDSA-N 0 3 313.401 3.045 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4scnc4c3)CCC2S1 ZINC001144734387 1095792161 /nfs/dbraw/zinc/79/21/61/1095792161.db2.gz HXSSBKBIZVHIDJ-ZDUSSCGKSA-N 0 3 302.424 3.070 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)CCC)c1C ZINC001339990642 1095805573 /nfs/dbraw/zinc/80/55/73/1095805573.db2.gz VUSOSFFMVMUICP-CQSZACIVSA-N 0 3 317.433 3.356 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001091208099 1095815986 /nfs/dbraw/zinc/81/59/86/1095815986.db2.gz IZJGWRDGUKGPJY-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(c2cccc(F)c2)CC1 ZINC001171231430 1095863584 /nfs/dbraw/zinc/86/35/84/1095863584.db2.gz JUQVAKYRJWDPHG-MRXNPFEDSA-N 0 3 323.415 3.451 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001340128932 1095874949 /nfs/dbraw/zinc/87/49/49/1095874949.db2.gz MWTXCDNLDPITQU-ZBEGNZNMSA-N 0 3 308.372 3.094 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC001340180198 1095898452 /nfs/dbraw/zinc/89/84/52/1095898452.db2.gz KDRVXLREKXTOPI-OAHLLOKOSA-N 0 3 315.442 3.356 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001091356086 1095913190 /nfs/dbraw/zinc/91/31/90/1095913190.db2.gz JYOWOCYMBAGZAH-UHFFFAOYSA-N 0 3 320.864 3.462 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001091370968 1095918865 /nfs/dbraw/zinc/91/88/65/1095918865.db2.gz COTVRGJPCIMKEM-UHFFFAOYSA-N 0 3 324.827 3.293 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001091384706 1095927391 /nfs/dbraw/zinc/92/73/91/1095927391.db2.gz QYMWROAFKYXOOE-NRXISQOPSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2(C3CCC3)CCC2)CC1 ZINC001160804838 1095965413 /nfs/dbraw/zinc/96/54/13/1095965413.db2.gz VDJZNCPKWJNDPW-UHFFFAOYSA-N 0 3 302.462 3.281 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC001340548814 1095974835 /nfs/dbraw/zinc/97/48/35/1095974835.db2.gz INARIJBUEMRWHN-TZMCWYRMSA-N 0 3 318.417 3.031 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223572711 1096004317 /nfs/dbraw/zinc/00/43/17/1096004317.db2.gz PIQFAVHEHZDPNO-KURKYZTESA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001276924113 1096076479 /nfs/dbraw/zinc/07/64/79/1096076479.db2.gz RUSWLHUOBHXIPY-IRXDYDNUSA-N 0 3 322.493 3.271 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H](CC)CCCC)CC1 ZINC001223872323 1096083611 /nfs/dbraw/zinc/08/36/11/1096083611.db2.gz BYAPYQAPHXMZKX-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001340986972 1096086200 /nfs/dbraw/zinc/08/62/00/1096086200.db2.gz OBAWLNAIPHTCIE-OIISXLGYSA-N 0 3 304.409 3.262 20 30 DGEDHN C#CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC001118884592 1096099985 /nfs/dbraw/zinc/09/99/85/1096099985.db2.gz KMTWGVAMCGAEHO-ICSRJNTNSA-N 0 3 324.468 3.221 20 30 DGEDHN N#Cc1cccc(N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)c1 ZINC001276953085 1096153806 /nfs/dbraw/zinc/15/38/06/1096153806.db2.gz FKKOLRMCDUYLNF-FQEVSTJZSA-N 0 3 320.440 3.379 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2c1OCCNC2 ZINC001341337284 1096157888 /nfs/dbraw/zinc/15/78/88/1096157888.db2.gz OOSGPIHLJMBUJW-RHSMWYFYSA-N 0 3 314.429 3.033 20 30 DGEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)C1CCCC1 ZINC001224446410 1096213720 /nfs/dbraw/zinc/21/37/20/1096213720.db2.gz KPUBOFLZSNJCLJ-WOJBJXKFSA-N 0 3 324.468 3.245 20 30 DGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCC#C[Si](C)(C)C)C1 ZINC001224617729 1096247449 /nfs/dbraw/zinc/24/74/49/1096247449.db2.gz VVCYFYPVAPGBDH-JKSUJKDBSA-N 0 3 302.494 3.114 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148095315 1096306477 /nfs/dbraw/zinc/30/64/77/1096306477.db2.gz HCRCQCHAMJAKBE-HUUCEWRRSA-N 0 3 318.486 3.241 20 30 DGEDHN CN(C(=O)/C=C/C(C)(C)C)C1CC(NCC#Cc2ccccc2)C1 ZINC001279208729 1096331140 /nfs/dbraw/zinc/33/11/40/1096331140.db2.gz HUOIAKPGJVSMCE-OUKQBFOZSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC/C=C\c3ccccc3)C2)C1 ZINC001148298730 1096343262 /nfs/dbraw/zinc/34/32/62/1096343262.db2.gz TXBKCIDYULJZJV-POHAHGRESA-N 0 3 310.441 3.200 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)CCC=C(C)C)C2)C1 ZINC001148320820 1096349322 /nfs/dbraw/zinc/34/93/22/1096349322.db2.gz JHRAAWGABIFGLZ-QGZVFWFLSA-N 0 3 304.478 3.479 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(CC(C)C)CCCC3)C2)C1 ZINC001148458690 1096371085 /nfs/dbraw/zinc/37/10/85/1096371085.db2.gz SNDYMEYDJMSGLA-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)CCCCCC)C2)C1 ZINC001148476960 1096375366 /nfs/dbraw/zinc/37/53/66/1096375366.db2.gz CFVYHMRCBCEOKX-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001148591680 1096408563 /nfs/dbraw/zinc/40/85/63/1096408563.db2.gz VMNQBUWHOLEORB-MRXNPFEDSA-N 0 3 304.478 3.006 20 30 DGEDHN C[C@H](C#N)c1cccc(C(=O)NCCc2cnc3cc[nH]cc2-3)c1 ZINC001148622780 1096414045 /nfs/dbraw/zinc/41/40/45/1096414045.db2.gz OYUHCHIJGVBDCB-CYBMUJFWSA-N 0 3 318.380 3.162 20 30 DGEDHN C[C@H](C#N)c1cccc(C(=O)NCCc2c[nH]c3ccncc23)c1 ZINC001148622780 1096414048 /nfs/dbraw/zinc/41/40/48/1096414048.db2.gz OYUHCHIJGVBDCB-CYBMUJFWSA-N 0 3 318.380 3.162 20 30 DGEDHN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)C1CC1 ZINC001225533855 1096460811 /nfs/dbraw/zinc/46/08/11/1096460811.db2.gz MCWSQQKGSQGWGS-PWIZWCRZSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C[C@H](CC(=O)NCC1CCN(CC#CC)CC1)c1ccccc1 ZINC001225535111 1096461962 /nfs/dbraw/zinc/46/19/62/1096461962.db2.gz VKABNFDKRSHRDO-LJQANCHMSA-N 0 3 324.468 3.198 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001086852084 1096485470 /nfs/dbraw/zinc/48/54/70/1096485470.db2.gz MCCPCTKYIGDLRO-UONOGXRCSA-N 0 3 324.852 3.391 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C=C3CCCCC3)C2)CC1 ZINC001086907290 1096504262 /nfs/dbraw/zinc/50/42/62/1096504262.db2.gz QDPPDUMZLQAKPB-QGZVFWFLSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3=CCCCCC3)C2)CC1 ZINC001086919486 1096509641 /nfs/dbraw/zinc/50/96/41/1096509641.db2.gz PUNQBQXBYVBVFN-KRWDZBQOSA-N 0 3 314.473 3.213 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC=CCC3)C2)CC1 ZINC001086937109 1096513664 /nfs/dbraw/zinc/51/36/64/1096513664.db2.gz GUXVCPKCGKBZEO-ROUUACIJSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(C)cc3)C2)CC1 ZINC001086954194 1096522232 /nfs/dbraw/zinc/52/22/32/1096522232.db2.gz FHRRJKIXLBMQLC-SFHVURJKSA-N 0 3 324.468 3.335 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001091919254 1096550589 /nfs/dbraw/zinc/55/05/89/1096550589.db2.gz YQPKCHNRWNPGNU-QAPCUYQASA-N 0 3 318.486 3.241 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc([C@H](C)CC)cc3)C[C@]2(C)C1 ZINC001092306529 1096599656 /nfs/dbraw/zinc/59/96/56/1096599656.db2.gz FGDWIGRMSZCXJG-BSIFCXSSSA-N 0 3 324.468 3.227 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(CC)CC)CC1 ZINC001093357051 1096681512 /nfs/dbraw/zinc/68/15/12/1096681512.db2.gz ZVIWIOIPLWBFIX-SFHVURJKSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001277132849 1096705897 /nfs/dbraw/zinc/70/58/97/1096705897.db2.gz KPVYDQIWWWDXRZ-UHFFFAOYSA-N 0 3 306.475 3.397 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001226518783 1096711012 /nfs/dbraw/zinc/71/10/12/1096711012.db2.gz MHBHUGCDQZBLBP-UHFFFAOYSA-N 0 3 312.457 3.222 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2ccc(CC)cc2)CC1 ZINC001226519482 1096711396 /nfs/dbraw/zinc/71/13/96/1096711396.db2.gz YIRHYQPDDWWQJD-UHFFFAOYSA-N 0 3 300.446 3.296 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ns1 ZINC001226522684 1096712330 /nfs/dbraw/zinc/71/23/30/1096712330.db2.gz FSCCRTKDDORHLY-HZPDHXFCSA-N 0 3 321.490 3.325 20 30 DGEDHN N#Cc1ccc(CNC2(CNC(=O)C[C@@H]3CC=CCC3)CC2)cc1 ZINC001277142305 1096736884 /nfs/dbraw/zinc/73/68/84/1096736884.db2.gz XJPWWKGZVBUNQA-MRXNPFEDSA-N 0 3 323.440 3.043 20 30 DGEDHN C=CCCCCCN1CC[C@H]2C[C@]21C(=O)N1CC(F)(C2CC2)C1 ZINC001277151396 1096762692 /nfs/dbraw/zinc/76/26/92/1096762692.db2.gz GTIWFRXAFVICKP-QFBILLFUSA-N 0 3 320.452 3.158 20 30 DGEDHN Cc1ccc(C#N)cc1O[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001226876980 1096801731 /nfs/dbraw/zinc/80/17/31/1096801731.db2.gz HETFDCUNBGTJEV-NVXWUHKLSA-N 0 3 307.397 3.476 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3cscc3Cl)CCC[C@@H]12 ZINC001094442362 1096826474 /nfs/dbraw/zinc/82/64/74/1096826474.db2.gz BXBXLNBACGQHBN-GDBMZVCRSA-N 0 3 322.861 3.009 20 30 DGEDHN C#CCCCC(=O)NC1CCN(Cc2ccc(CC)cc2)CC1 ZINC001227108674 1096871507 /nfs/dbraw/zinc/87/15/07/1096871507.db2.gz UUDCGQKASDJPSI-UHFFFAOYSA-N 0 3 312.457 3.133 20 30 DGEDHN N#Cc1ccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)cc1Cl ZINC001227209733 1096894306 /nfs/dbraw/zinc/89/43/06/1096894306.db2.gz RQIYXZMFMICKRT-GASCZTMLSA-N 0 3 320.820 3.234 20 30 DGEDHN Cc1cc(OC2CCN(Cc3ccccc3)CC2)cnc1C#N ZINC001227346581 1096918441 /nfs/dbraw/zinc/91/84/41/1096918441.db2.gz KJKVAOKRUKOKMR-UHFFFAOYSA-N 0 3 307.397 3.305 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001277202180 1096919515 /nfs/dbraw/zinc/91/95/15/1096919515.db2.gz IKZGLELAXFFNGD-CVEARBPZSA-N 0 3 304.478 3.101 20 30 DGEDHN CCCCCCCCCN1CC2(C[C@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277231737 1096969423 /nfs/dbraw/zinc/96/94/23/1096969423.db2.gz QCSPLOPKJNZFDS-INIZCTEOSA-N 0 3 318.465 3.421 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1cnc(C)cn1 ZINC001171818339 1096974352 /nfs/dbraw/zinc/97/43/52/1096974352.db2.gz HSVUTGCNLINCRG-UHFFFAOYSA-N 0 3 320.481 3.132 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(C(F)(F)F)c1 ZINC001171839940 1096989233 /nfs/dbraw/zinc/98/92/33/1096989233.db2.gz MKQHWROTPYNUIC-UHFFFAOYSA-N 0 3 320.742 3.167 20 30 DGEDHN C[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171839929 1096989243 /nfs/dbraw/zinc/98/92/43/1096989243.db2.gz WUMAEFXXCKYIPL-KBPBESRZSA-N 0 3 307.438 3.200 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CC2)CC12CCC2 ZINC001171838374 1096989432 /nfs/dbraw/zinc/98/94/32/1096989432.db2.gz WUBSEBHTZIAZAP-AWEZNQCLSA-N 0 3 319.449 3.202 20 30 DGEDHN C=CCN1CCC(NC(=O)COCCCCCCCC)CC1 ZINC001227824867 1096995335 /nfs/dbraw/zinc/99/53/35/1096995335.db2.gz FHFAANAACRSYRG-UHFFFAOYSA-N 0 3 310.482 3.130 20 30 DGEDHN CCC(C)(CC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001277253207 1097013931 /nfs/dbraw/zinc/01/39/31/1097013931.db2.gz YVSUIEGCDXSGGW-UHFFFAOYSA-N 0 3 313.445 3.123 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC001172306752 1097095736 /nfs/dbraw/zinc/09/57/36/1097095736.db2.gz ARQAKMCXAOOGLD-INIZCTEOSA-N 0 3 321.424 3.017 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1nccn1CC(F)(F)F ZINC001172299879 1097109675 /nfs/dbraw/zinc/10/96/75/1097109675.db2.gz OZMOJQPCOIYMBW-GFCCVEGCSA-N 0 3 322.334 3.038 20 30 DGEDHN C=CCc1cc(OC)c(OC2CCN(C3CC3)CC2)c(OC)c1 ZINC001228427860 1097119538 /nfs/dbraw/zinc/11/95/38/1097119538.db2.gz PVVLSCHWLNFZPE-UHFFFAOYSA-N 0 3 317.429 3.438 20 30 DGEDHN CC[C@H](C)OCC[C@@H](C)N1CCN(c2cccc(C#N)c2)CC1 ZINC001172346864 1097120487 /nfs/dbraw/zinc/12/04/87/1097120487.db2.gz KCOLNKQDZJLQAL-SJORKVTESA-N 0 3 315.461 3.274 20 30 DGEDHN COc1cccc(Cn2cnc(CN[C@@H](C)CCCC#N)c2)c1 ZINC001172491655 1097167944 /nfs/dbraw/zinc/16/79/44/1097167944.db2.gz IBIGXWZTFYODAL-HNNXBMFYSA-N 0 3 312.417 3.112 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228829139 1097199244 /nfs/dbraw/zinc/19/92/44/1097199244.db2.gz QXQNOYBFBNJHMP-HUUCEWRRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=CCc1ccccc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001228844460 1097202436 /nfs/dbraw/zinc/20/24/36/1097202436.db2.gz OSXHPUZJOVRFGN-IYARVYRRSA-N 0 3 301.430 3.437 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3ccc(O)cc3)C2)c1 ZINC001204095919 1097208724 /nfs/dbraw/zinc/20/87/24/1097208724.db2.gz FFLSIFOLYHWSJE-IBGZPJMESA-N 0 3 308.381 3.307 20 30 DGEDHN C[C@H](C#C[Si](C)(C)C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303890 1097292246 /nfs/dbraw/zinc/29/22/46/1097292246.db2.gz WPFYESFELFMYEK-OAHLLOKOSA-N 0 3 317.505 3.469 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCCCC23CC3)C[C@H]1C#N ZINC001172991859 1097308691 /nfs/dbraw/zinc/30/86/91/1097308691.db2.gz MQOYIMFEIYRKBO-CABCVRRESA-N 0 3 319.449 3.297 20 30 DGEDHN C[C@H]1CC[C@@H](N2CCC(C)(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001173067817 1097321644 /nfs/dbraw/zinc/32/16/44/1097321644.db2.gz YZHZSZHHGRHCIF-LSDHHAIUSA-N 0 3 321.465 3.400 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C(C)(C)C)CC1 ZINC001277393539 1097333972 /nfs/dbraw/zinc/33/39/72/1097333972.db2.gz LWBNJQMOGVKWEW-UHFFFAOYSA-N 0 3 312.885 3.488 20 30 DGEDHN C=CC1(CC(=O)NC2CCN(CCOCC)CC2)CCCCC1 ZINC001229575825 1097347403 /nfs/dbraw/zinc/34/74/03/1097347403.db2.gz RZQMCEHSRTWIQM-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN CCN1CCC[C@@H](Oc2ccc(OC(F)(F)F)cc2C#N)C1 ZINC001229836992 1097395933 /nfs/dbraw/zinc/39/59/33/1097395933.db2.gz NLRNWPRHJHCLIT-CYBMUJFWSA-N 0 3 314.307 3.320 20 30 DGEDHN C=CCOC1CCC(NCc2ccn(CC(F)(F)F)n2)CC1 ZINC001173318635 1097428330 /nfs/dbraw/zinc/42/83/30/1097428330.db2.gz GTYIXHJBVNTMTM-UHFFFAOYSA-N 0 3 317.355 3.049 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccncc1 ZINC001230582830 1097519336 /nfs/dbraw/zinc/51/93/36/1097519336.db2.gz FUYPGQWVNPZAEV-QGZVFWFLSA-N 0 3 303.450 3.198 20 30 DGEDHN C=C(C)CN(CCCNC(=O)CC1(C)CC1)Cc1cccnc1 ZINC001230801789 1097592756 /nfs/dbraw/zinc/59/27/56/1097592756.db2.gz JDPQDIFHTPPFGY-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C[C@@H]1C[C@@H]1C)Cc1cccnc1 ZINC001230839060 1097604209 /nfs/dbraw/zinc/60/42/09/1097604209.db2.gz ZLPIKIDGOJONKZ-WMZOPIPTSA-N 0 3 315.461 3.012 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001277473514 1097629301 /nfs/dbraw/zinc/62/93/01/1097629301.db2.gz FFYJJWDTJWQXKZ-PXNSSMCTSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001231024219 1097649948 /nfs/dbraw/zinc/64/99/48/1097649948.db2.gz CAGSSBKBJOFKPY-IRXDYDNUSA-N 0 3 312.498 3.305 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC(F)(F)F ZINC001231040999 1097652289 /nfs/dbraw/zinc/65/22/89/1097652289.db2.gz BBCDJHIFSLYNRJ-ZDUSSCGKSA-N 0 3 308.388 3.442 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231095017 1097667726 /nfs/dbraw/zinc/66/77/26/1097667726.db2.gz MCSXRNZQXAQYBR-ZWKOTPCHSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001231101313 1097669060 /nfs/dbraw/zinc/66/90/60/1097669060.db2.gz BCQXNIAWQGQOFS-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001231412571 1097743551 /nfs/dbraw/zinc/74/35/51/1097743551.db2.gz FNVQWPOUKLHCLZ-GOEBONIOSA-N 0 3 304.434 3.397 20 30 DGEDHN CC/C=C\CCN1CC2(C[C@H]2C(=O)Nc2cc(C)ccc2C#N)C1 ZINC001277519486 1097752490 /nfs/dbraw/zinc/75/24/90/1097752490.db2.gz YTDGBNDPNFWPKI-CHYADLBTSA-N 0 3 323.440 3.483 20 30 DGEDHN C#CC1CCN(Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231554717 1097778917 /nfs/dbraw/zinc/77/89/17/1097778917.db2.gz BKKAPPFLFYEXLR-UHFFFAOYSA-N 0 3 324.218 3.009 20 30 DGEDHN C#CC1CC[NH+](Cc2c(Br)ccc(OC)c2[O-])CC1 ZINC001231554717 1097778919 /nfs/dbraw/zinc/77/89/19/1097778919.db2.gz BKKAPPFLFYEXLR-UHFFFAOYSA-N 0 3 324.218 3.009 20 30 DGEDHN C[C@H]1C[C@@H](O)CCN1Cc1ccccc1C#Cc1ccccc1 ZINC001231578396 1097782445 /nfs/dbraw/zinc/78/24/45/1097782445.db2.gz MASIYZPSVNKPPO-UWJYYQICSA-N 0 3 305.421 3.432 20 30 DGEDHN C#C[C@H]1CCCN(Cc2[nH]nc3cc(Br)ccc32)C1 ZINC001231617711 1097793575 /nfs/dbraw/zinc/79/35/75/1097793575.db2.gz JUUKXZKMWYQFMQ-NSHDSACASA-N 0 3 318.218 3.171 20 30 DGEDHN C=CCOc1cccc(CN2C[C@@H](OCC)[C@H]3OCCC[C@H]32)c1 ZINC001231621501 1097793693 /nfs/dbraw/zinc/79/36/93/1097793693.db2.gz CNRMJGXSZVVBOX-QRVBRYPASA-N 0 3 317.429 3.020 20 30 DGEDHN C#Cc1cccc(CN2CCC(O)(c3ccc(C)cc3)CC2)c1 ZINC001231657211 1097804345 /nfs/dbraw/zinc/80/43/45/1097804345.db2.gz YWLHMMZYXAQUFO-UHFFFAOYSA-N 0 3 305.421 3.460 20 30 DGEDHN C#Cc1cccc(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001231661229 1097806199 /nfs/dbraw/zinc/80/61/99/1097806199.db2.gz QCBDLDZYCZIQDI-PBHICJAKSA-N 0 3 314.429 3.013 20 30 DGEDHN C#Cc1cccc(CN2CCC(Oc3ccnc(OC)c3)CC2)c1 ZINC001231663141 1097807851 /nfs/dbraw/zinc/80/78/51/1097807851.db2.gz JRSUCCKHCDAFGS-UHFFFAOYSA-N 0 3 322.408 3.115 20 30 DGEDHN C#Cc1cccc(CN(CC)CCNC(=O)OC(C)(C)C)c1 ZINC001231661664 1097808553 /nfs/dbraw/zinc/80/85/53/1097808553.db2.gz XNGICGKHUVMVHL-UHFFFAOYSA-N 0 3 302.418 3.015 20 30 DGEDHN CC[C@@H](F)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001174727212 1097820569 /nfs/dbraw/zinc/82/05/69/1097820569.db2.gz XEMTZPREURYCNE-WMLDXEAASA-N 0 3 319.424 3.071 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001174848360 1097867182 /nfs/dbraw/zinc/86/71/82/1097867182.db2.gz CGJDXGPWODFLSW-HOCLYGCPSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(C)nc(C)c1)C2 ZINC001231999793 1097911437 /nfs/dbraw/zinc/91/14/37/1097911437.db2.gz VPSOTWMQWJFWBY-OALUTQOASA-N 0 3 316.445 3.025 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001174986496 1097917178 /nfs/dbraw/zinc/91/71/78/1097917178.db2.gz IPFJXXQUUYMYDD-CQSZACIVSA-N 0 3 309.479 3.264 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCCNCc2nccs2)C1 ZINC001175150458 1097946823 /nfs/dbraw/zinc/94/68/23/1097946823.db2.gz OBPCMWXQVFIWNY-AWEZNQCLSA-N 0 3 321.490 3.264 20 30 DGEDHN COCc1cccc(CN2CCC(c3cccc(C#N)c3)CC2)n1 ZINC001232255853 1097983548 /nfs/dbraw/zinc/98/35/48/1097983548.db2.gz UIZKFMAJSKPDHP-UHFFFAOYSA-N 0 3 321.424 3.479 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)c(CC)s1 ZINC001175550117 1098095248 /nfs/dbraw/zinc/09/52/48/1098095248.db2.gz ZXVQICVRDZILOK-UHFFFAOYSA-N 0 3 300.855 3.081 20 30 DGEDHN CN(CCCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC001232847276 1098151620 /nfs/dbraw/zinc/15/16/20/1098151620.db2.gz TZRCHQTULDWSLC-UHFFFAOYSA-N 0 3 323.462 3.356 20 30 DGEDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC001232844806 1098152025 /nfs/dbraw/zinc/15/20/25/1098152025.db2.gz DSCVBSCOJIRTFS-QWHCGFSZSA-N 0 3 306.431 3.031 20 30 DGEDHN CCN1CCN(c2ccc(Nc3c(N)cccc3C#N)cc2)CC1 ZINC001175782412 1098169231 /nfs/dbraw/zinc/16/92/31/1098169231.db2.gz QKGWGWHRBAHJBM-UHFFFAOYSA-N 0 3 321.428 3.026 20 30 DGEDHN C=CCCCN1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001175862131 1098194436 /nfs/dbraw/zinc/19/44/36/1098194436.db2.gz URVCHDWEBJOZDX-CRAIPNDOSA-N 0 3 324.465 3.053 20 30 DGEDHN N#Cc1cc[nH]c1CN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001233048152 1098212353 /nfs/dbraw/zinc/21/23/53/1098212353.db2.gz XQKYSCJKBZAAPY-FQEVSTJZSA-N 0 3 320.440 3.082 20 30 DGEDHN COC(=O)[C@]12CCC[C@H]1N(CC#Cc1cccc(Cl)c1)CC2 ZINC001175965426 1098213536 /nfs/dbraw/zinc/21/35/36/1098213536.db2.gz HJBWDPIMUJDJTI-AEFFLSMTSA-N 0 3 317.816 3.109 20 30 DGEDHN C=CCN1CC[C@]2(CCCN(Cc3ccsc3Cl)C2)C1=O ZINC001233057142 1098216074 /nfs/dbraw/zinc/21/60/74/1098216074.db2.gz SSDSLENICYENDR-INIZCTEOSA-N 0 3 324.877 3.402 20 30 DGEDHN Cc1ccnc(O[C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC001233083208 1098222599 /nfs/dbraw/zinc/22/25/99/1098222599.db2.gz ALJXLZDOCBJNMV-GOSISDBHSA-N 0 3 322.412 3.009 20 30 DGEDHN CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386631 1098311625 /nfs/dbraw/zinc/31/16/25/1098311625.db2.gz BMXRQZCRDGKVOL-ZWKOTPCHSA-N 0 3 313.445 3.103 20 30 DGEDHN CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386631 1098311631 /nfs/dbraw/zinc/31/16/31/1098311631.db2.gz BMXRQZCRDGKVOL-ZWKOTPCHSA-N 0 3 313.445 3.103 20 30 DGEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001150586987 1098333090 /nfs/dbraw/zinc/33/30/90/1098333090.db2.gz DJSONWPIKPGNBJ-IRXDYDNUSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CCC ZINC001233488161 1098347778 /nfs/dbraw/zinc/34/77/78/1098347778.db2.gz CRIVCEYHZSOVAU-DVBCCOPCSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CCC ZINC001233488163 1098347799 /nfs/dbraw/zinc/34/77/99/1098347799.db2.gz CRIVCEYHZSOVAU-LKGOPFMKSA-N 0 3 322.493 3.248 20 30 DGEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001233491428 1098349260 /nfs/dbraw/zinc/34/92/60/1098349260.db2.gz YABDAHDCLCABGG-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)c2occc21 ZINC001176519601 1098375261 /nfs/dbraw/zinc/37/52/61/1098375261.db2.gz DDOHFKLFQBGQEU-UHFFFAOYSA-N 0 3 310.756 3.034 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCOC1 ZINC001233581907 1098382700 /nfs/dbraw/zinc/38/27/00/1098382700.db2.gz UUAHVROBGXDGLE-QZTJIDSGSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233610187 1098389923 /nfs/dbraw/zinc/38/99/23/1098389923.db2.gz FIFRAGITJWPGBK-GDBMZVCRSA-N 0 3 304.434 3.397 20 30 DGEDHN C=C[C@H](CC(=O)NCCCNCC(=C)Cl)c1ccccc1 ZINC001176763194 1098434974 /nfs/dbraw/zinc/43/49/74/1098434974.db2.gz TTYVEFUZPXJIHZ-OAHLLOKOSA-N 0 3 306.837 3.195 20 30 DGEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1OC ZINC001176832937 1098441871 /nfs/dbraw/zinc/44/18/71/1098441871.db2.gz NHFHKYMUCLDGAX-CQSZACIVSA-N 0 3 320.820 3.165 20 30 DGEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1OC ZINC001176832936 1098441985 /nfs/dbraw/zinc/44/19/85/1098441985.db2.gz NHFHKYMUCLDGAX-AWEZNQCLSA-N 0 3 320.820 3.165 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1cccc(C)c1 ZINC001233947088 1098463639 /nfs/dbraw/zinc/46/36/39/1098463639.db2.gz ITYAJRYLLRRMGP-HKUYNNGSSA-N 0 3 312.457 3.392 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001233946720 1098463983 /nfs/dbraw/zinc/46/39/83/1098463983.db2.gz DOYRQLBLKOMRJE-HKUYNNGSSA-N 0 3 310.441 3.010 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\c1ccccc1 ZINC001233947312 1098464522 /nfs/dbraw/zinc/46/45/22/1098464522.db2.gz KCXUEXOVWWWLAF-DRHVUCGNSA-N 0 3 324.468 3.426 20 30 DGEDHN CCc1ccc2c(c1)CN(C[C@H](O)c1cccc(C#N)c1)CC2 ZINC001177033376 1098464985 /nfs/dbraw/zinc/46/49/85/1098464985.db2.gz FLUIIDUJHDXTRN-FQEVSTJZSA-N 0 3 306.409 3.212 20 30 DGEDHN CCN1CC[C@H](Oc2c(C)cc(Br)cc2C#N)C1 ZINC001234009440 1098476695 /nfs/dbraw/zinc/47/66/95/1098476695.db2.gz ADHSFUCCIQUKFC-ZDUSSCGKSA-N 0 3 309.207 3.102 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001177099882 1098477431 /nfs/dbraw/zinc/47/74/31/1098477431.db2.gz UMVGFBRHTVQOOO-AWEZNQCLSA-N 0 3 308.853 3.022 20 30 DGEDHN C=CC[NH2+]CCCN(CC1CCCC1)C(=O)c1ccccc1[O-] ZINC001177218326 1098495817 /nfs/dbraw/zinc/49/58/17/1098495817.db2.gz SCABWFADGPKQAB-UHFFFAOYSA-N 0 3 316.445 3.190 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)C(C)C ZINC001177222479 1098496862 /nfs/dbraw/zinc/49/68/62/1098496862.db2.gz WLOAXYKDAFVBIH-UHFFFAOYSA-N 0 3 300.874 3.393 20 30 DGEDHN CN(C[C@@H]1CCN1CCC1CCCCCC1)C(=O)C#CC1CC1 ZINC001234187180 1098512260 /nfs/dbraw/zinc/51/22/60/1098512260.db2.gz UUMZAMNMLOCNHW-IBGZPJMESA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205514 1098513972 /nfs/dbraw/zinc/51/39/72/1098513972.db2.gz IWYQDNJHLPYWJP-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)C#CC1CC1 ZINC001177313616 1098514472 /nfs/dbraw/zinc/51/44/72/1098514472.db2.gz GBTXLMSJTVYXAD-UHFFFAOYSA-N 0 3 322.880 3.151 20 30 DGEDHN CN(C[C@@H]1CCN1CCC1CCCC1)C(=O)C#CC(C)(C)C ZINC001234215823 1098516427 /nfs/dbraw/zinc/51/64/27/1098516427.db2.gz POXLIAJPAJXTME-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C#C[C@@H](Oc1c(F)cc(CN(C)C)cc1OC)c1ccncc1 ZINC001234241191 1098520455 /nfs/dbraw/zinc/52/04/55/1098520455.db2.gz PIAUPEOGULMKGX-MRXNPFEDSA-N 0 3 314.360 3.044 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)noc1CCC ZINC001234246134 1098521040 /nfs/dbraw/zinc/52/10/40/1098521040.db2.gz JCQAIKVLBXOUGR-OAHLLOKOSA-N 0 3 319.449 3.048 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234345076 1098540544 /nfs/dbraw/zinc/54/05/44/1098540544.db2.gz GTAMQCGIHKDYIH-ZWKOTPCHSA-N 0 3 324.509 3.305 20 30 DGEDHN N#Cc1ccc2oc(O[C@@H]3CCN(Cc4ccccc4)C3)nc2c1 ZINC001234457451 1098560133 /nfs/dbraw/zinc/56/01/33/1098560133.db2.gz VUTJSEDBSQZJGO-MRXNPFEDSA-N 0 3 319.364 3.353 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCCCC1(C)C ZINC001177556437 1098561615 /nfs/dbraw/zinc/56/16/15/1098561615.db2.gz QXBLJWJSWHVYOL-AWEZNQCLSA-N 0 3 300.874 3.441 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001234563313 1098602478 /nfs/dbraw/zinc/60/24/78/1098602478.db2.gz POFBBAUFZMSKAT-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN Cc1nc(C)c(CN2CCC(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC001234635041 1098626339 /nfs/dbraw/zinc/62/63/39/1098626339.db2.gz KMSYLDNUVJWDRF-UHFFFAOYSA-N 0 3 308.429 3.353 20 30 DGEDHN N#CC(Cc1cccs1)C(=O)Nc1ncnc2sccc21 ZINC001177904277 1098643552 /nfs/dbraw/zinc/64/35/52/1098643552.db2.gz OAOATQFTEGDFNY-SECBINFHSA-N 0 3 314.395 3.074 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1csc(C)n1 ZINC001178017724 1098679843 /nfs/dbraw/zinc/67/98/43/1098679843.db2.gz CJAPVHMMJAGOFS-UHFFFAOYSA-N 0 3 309.479 3.184 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(C)ccc2OC)[C@@H]1C ZINC001178311673 1098791698 /nfs/dbraw/zinc/79/16/98/1098791698.db2.gz HSNHHEQWCBYEME-RDJZCZTQSA-N 0 3 316.445 3.049 20 30 DGEDHN C=CCc1cccc(C[N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)c1[O-] ZINC001235221768 1098893005 /nfs/dbraw/zinc/89/30/05/1098893005.db2.gz QSEBCSLAAKCMGS-VQTJNVASSA-N 0 3 320.436 3.192 20 30 DGEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)c1[O-] ZINC001235221768 1098893020 /nfs/dbraw/zinc/89/30/20/1098893020.db2.gz QSEBCSLAAKCMGS-VQTJNVASSA-N 0 3 320.436 3.192 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235223288 1098894833 /nfs/dbraw/zinc/89/48/33/1098894833.db2.gz BBEOMAOHRDBBEE-KBPBESRZSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001235305397 1098952534 /nfs/dbraw/zinc/95/25/34/1098952534.db2.gz XBPAOGDCMQFNOI-KRWDZBQOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001235355650 1098974300 /nfs/dbraw/zinc/97/43/00/1098974300.db2.gz RLUVMZKFPYKBLT-AWEZNQCLSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001235355651 1098975792 /nfs/dbraw/zinc/97/57/92/1098975792.db2.gz RLUVMZKFPYKBLT-CQSZACIVSA-N 0 3 308.372 3.077 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179352067 1099066341 /nfs/dbraw/zinc/06/63/41/1099066341.db2.gz ZGTMSLAPESGYFC-PUKKJSDOSA-N 0 3 322.452 3.140 20 30 DGEDHN COc1cc(CN(C)Cc2ccccc2CC#N)cc(OC)c1 ZINC001235522792 1099071515 /nfs/dbraw/zinc/07/15/15/1099071515.db2.gz JOLXFAIUHRLUOI-UHFFFAOYSA-N 0 3 310.397 3.402 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001235551541 1099086141 /nfs/dbraw/zinc/08/61/41/1099086141.db2.gz UQOKLIZUJBNNTO-SQNIBIBYSA-N 0 3 324.509 3.305 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001179380457 1099087295 /nfs/dbraw/zinc/08/72/95/1099087295.db2.gz JQXHQASETHIQSG-QEJZJMRPSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2c(C)nsc2C)[C@@H]1C ZINC001179455119 1099105282 /nfs/dbraw/zinc/10/52/82/1099105282.db2.gz SNRCWJHXCUBZPN-BBRMVZONSA-N 0 3 321.490 3.195 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001235682320 1099124605 /nfs/dbraw/zinc/12/46/05/1099124605.db2.gz CFIDOSNBJQPWEQ-HUUCEWRRSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235686478 1099127281 /nfs/dbraw/zinc/12/72/81/1099127281.db2.gz TWUFARJATQVHFU-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C1CCC(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC001179541141 1099135996 /nfs/dbraw/zinc/13/59/96/1099135996.db2.gz FZTTXWSKKMUHOZ-UHFFFAOYSA-N 0 3 306.362 3.145 20 30 DGEDHN C#CCN1CCC[C@@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC001179579982 1099150389 /nfs/dbraw/zinc/15/03/89/1099150389.db2.gz YZFZTXNEXICSAJ-GFCCVEGCSA-N 0 3 315.219 3.320 20 30 DGEDHN N#Cc1ccc(CN2CCN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235787771 1099178538 /nfs/dbraw/zinc/17/85/38/1099178538.db2.gz HIPRSGUHOJHBOC-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1cccc(Cl)c1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235853362 1099212947 /nfs/dbraw/zinc/21/29/47/1099212947.db2.gz LNCRWKQTOTWRLW-GOSISDBHSA-N 0 3 311.816 3.358 20 30 DGEDHN N#Cc1c(Cl)cccc1CN1CCN[C@H](c2ccccc2)C1 ZINC001235855143 1099216065 /nfs/dbraw/zinc/21/60/65/1099216065.db2.gz SIBBYVWCAGTGJD-SFHVURJKSA-N 0 3 311.816 3.358 20 30 DGEDHN CCc1cc(CN2CCN[C@H](c3ccccc3)C2)ccc1C#N ZINC001235864414 1099226147 /nfs/dbraw/zinc/22/61/47/1099226147.db2.gz QOLPBRKAOJHEGR-FQEVSTJZSA-N 0 3 305.425 3.267 20 30 DGEDHN N[C@@H]1CN(Cc2ccc(C#Cc3ccccc3)s2)CC[C@H]1F ZINC001235911601 1099254086 /nfs/dbraw/zinc/25/40/86/1099254086.db2.gz XAWIUPOLDMDORG-QZTJIDSGSA-N 0 3 314.429 3.019 20 30 DGEDHN N#CCc1cncc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236005232 1099326827 /nfs/dbraw/zinc/32/68/27/1099326827.db2.gz MFUCMKDXZLYZQI-UHFFFAOYSA-N 0 3 310.376 3.335 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)NC(=O)CN(C)C1CCCC1 ZINC001180630994 1099478204 /nfs/dbraw/zinc/47/82/04/1099478204.db2.gz VHBFTTNGGGYGCJ-HNNXBMFYSA-N 0 3 316.445 3.303 20 30 DGEDHN Cc1cc(C#N)nc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236234441 1099487706 /nfs/dbraw/zinc/48/77/06/1099487706.db2.gz ZQVIAXNBYBBWFF-UHFFFAOYSA-N 0 3 310.376 3.449 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001180846606 1099509488 /nfs/dbraw/zinc/50/94/88/1099509488.db2.gz PSJLLNXDJOKPCA-PWVRTQFHSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](NC[C@H](F)CC)C2)CCCCC1 ZINC001188053105 1099664197 /nfs/dbraw/zinc/66/41/97/1099664197.db2.gz NRAVCNCAFAPIKF-HZPDHXFCSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)cc(F)c1 ZINC001273557025 1099718943 /nfs/dbraw/zinc/71/89/43/1099718943.db2.gz MIRCXDGVPVVRMF-QZTJIDSGSA-N 0 3 316.420 3.276 20 30 DGEDHN C=C[C@H](C(=O)N(C)C[C@@H](C)NC/C=C\Cl)c1ccccc1 ZINC001278024454 1099861136 /nfs/dbraw/zinc/86/11/36/1099861136.db2.gz DVQTWBJETLHOJF-XHUMFFGVSA-N 0 3 306.837 3.145 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CNCc2nc(C)cs2)CC1 ZINC001205404746 1099883786 /nfs/dbraw/zinc/88/37/86/1099883786.db2.gz LUNMRQHSYZWSTI-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057789 1099949575 /nfs/dbraw/zinc/94/95/75/1099949575.db2.gz FIHWPXOKJATZNT-GFCCVEGCSA-N 0 3 313.319 3.179 20 30 DGEDHN C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057789 1099949582 /nfs/dbraw/zinc/94/95/82/1099949582.db2.gz FIHWPXOKJATZNT-GFCCVEGCSA-N 0 3 313.319 3.179 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CC(C)(N(C)C)C2)c1 ZINC001189267821 1100011836 /nfs/dbraw/zinc/01/18/36/1100011836.db2.gz HFFQWLPMUNOCEW-UHFFFAOYSA-N 0 3 315.461 3.300 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001189271273 1100014287 /nfs/dbraw/zinc/01/42/87/1100014287.db2.gz ZHDXHEDPLZQMFN-PBHICJAKSA-N 0 3 304.409 3.386 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](F)CCCCCC)[C@@H]2C1 ZINC001189793593 1100133030 /nfs/dbraw/zinc/13/30/30/1100133030.db2.gz FTSZDSBUBKHHNM-GVDBMIGSSA-N 0 3 310.457 3.404 20 30 DGEDHN C#CCN(C(=O)CC(C)C)C1CCN(Cc2ccccc2)CC1 ZINC001278114902 1100172743 /nfs/dbraw/zinc/17/27/43/1100172743.db2.gz BHPBUIIZEOYXSM-UHFFFAOYSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CCN1CCN(Cc2cccc(-c3ccccc3)c2C)CC1 ZINC001237586120 1100180036 /nfs/dbraw/zinc/18/00/36/1100180036.db2.gz UUTMKBUMWCNJFS-UHFFFAOYSA-N 0 3 304.437 3.413 20 30 DGEDHN Cc1cc(CN(C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)c(C)s1 ZINC001190004573 1100185286 /nfs/dbraw/zinc/18/52/86/1100185286.db2.gz QAZMSYBJGLQJQW-QGZVFWFLSA-N 0 3 318.486 3.057 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001190047660 1100191989 /nfs/dbraw/zinc/19/19/89/1100191989.db2.gz VHJKMXBMDOSBKU-QGZVFWFLSA-N 0 3 324.424 3.125 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190361335 1100254663 /nfs/dbraw/zinc/25/46/63/1100254663.db2.gz FCBZNYRIBLRSPS-MSOLQXFVSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190370152 1100262995 /nfs/dbraw/zinc/26/29/95/1100262995.db2.gz HRMPEIOEDHSXPC-MSOLQXFVSA-N 0 3 324.509 3.328 20 30 DGEDHN C#CCN(C(=O)C[C@H]1CC=CCC1)C1CCN(CC(=C)C)CC1 ZINC001278168436 1100304246 /nfs/dbraw/zinc/30/42/46/1100304246.db2.gz AHEUOTBBLATESX-SFHVURJKSA-N 0 3 314.473 3.235 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2ccc(C)c(F)c2)C1 ZINC001273605312 1100308452 /nfs/dbraw/zinc/30/84/52/1100308452.db2.gz UQAKWCPXPVESDN-UHFFFAOYSA-N 0 3 318.436 3.429 20 30 DGEDHN C#CCN(C(=O)[C@H](C)[C@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001278194021 1100371714 /nfs/dbraw/zinc/37/17/14/1100371714.db2.gz FMJIYXWJWZJSBC-IAGOWNOFSA-N 0 3 304.478 3.171 20 30 DGEDHN C#CCN(C(=O)C[C@H](C)c1ccccc1)C1CCN(CC=C)CC1 ZINC001278200330 1100384724 /nfs/dbraw/zinc/38/47/24/1100384724.db2.gz DHRBDAFWORRTNG-SFHVURJKSA-N 0 3 324.468 3.292 20 30 DGEDHN CC#CCNC[C@@H](NC(=O)CCC)c1ccc2ccccc2c1 ZINC001278205670 1100400693 /nfs/dbraw/zinc/40/06/93/1100400693.db2.gz CXMRTHPNPJHPGN-LJQANCHMSA-N 0 3 308.425 3.410 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001191265924 1100439568 /nfs/dbraw/zinc/43/95/68/1100439568.db2.gz HDHUWZPOKHGAPF-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC001191275146 1100442014 /nfs/dbraw/zinc/44/20/14/1100442014.db2.gz NDNAWGZSJKKVHK-SFHVURJKSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191421838 1100464545 /nfs/dbraw/zinc/46/45/45/1100464545.db2.gz CYGNUGLPIXESII-ROUUACIJSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191789716 1100521553 /nfs/dbraw/zinc/52/15/53/1100521553.db2.gz HYNFCCZMUMSDQJ-NXNKFBBFSA-N 0 3 323.440 3.113 20 30 DGEDHN CCc1cc(CN2CC[C@H](Oc3ccccn3)C2)ccc1C#N ZINC001238768052 1100523806 /nfs/dbraw/zinc/52/38/06/1100523806.db2.gz DUSDJOXODXEKHP-SFHVURJKSA-N 0 3 307.397 3.169 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238769186 1100524588 /nfs/dbraw/zinc/52/45/88/1100524588.db2.gz PRWZVTXUWZBDGL-IBGZPJMESA-N 0 3 314.429 3.286 20 30 DGEDHN CCc1cc(CN2CCCN(c3cccnc3)CC2)ccc1C#N ZINC001238772227 1100526894 /nfs/dbraw/zinc/52/68/94/1100526894.db2.gz NPCPXKCSBPDESW-UHFFFAOYSA-N 0 3 320.440 3.228 20 30 DGEDHN CCc1cc(CN2CCC(N3CC(F)(F)C3)CC2)ccc1C#N ZINC001238777913 1100527699 /nfs/dbraw/zinc/52/76/99/1100527699.db2.gz JWIYICLXBQABIJ-UHFFFAOYSA-N 0 3 319.399 3.036 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001192093722 1100571242 /nfs/dbraw/zinc/57/12/42/1100571242.db2.gz LMDUGCXZFYDPEE-MRXNPFEDSA-N 0 3 306.475 3.446 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192502242 1100626635 /nfs/dbraw/zinc/62/66/35/1100626635.db2.gz SXNVXESCKYAABR-IAGOWNOFSA-N 0 3 324.509 3.184 20 30 DGEDHN CCCCCCCNC(=S)NC[C@H]1Cc2ccccc2CN1 ZINC001239374851 1100647073 /nfs/dbraw/zinc/64/70/73/1100647073.db2.gz ASIUJIAQTOUJIP-QGZVFWFLSA-N 0 3 319.518 3.135 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001192687938 1100650974 /nfs/dbraw/zinc/65/09/74/1100650974.db2.gz MRIIZSYRLWFDCF-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN N#Cc1ccnc(CN[C@@H](c2ccccc2)C2CCOCC2)c1 ZINC001192834550 1100669695 /nfs/dbraw/zinc/66/96/95/1100669695.db2.gz SBJUNTAQBOZMMT-IBGZPJMESA-N 0 3 307.397 3.211 20 30 DGEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)[C@@H]1C ZINC001193608047 1100770833 /nfs/dbraw/zinc/77/08/33/1100770833.db2.gz XCNYZVFPCGQHFC-BRWVUGGUSA-N 0 3 313.445 3.442 20 30 DGEDHN CCCCCCCCC(=O)N1CC[C@@H](N(C)CCOCC)C1 ZINC001193643034 1100780220 /nfs/dbraw/zinc/78/02/20/1100780220.db2.gz PRCOVLBKCOMQJK-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN CC(C)N1CCN(c2ccc(-c3ccc(C#N)c(F)c3)cn2)CC1 ZINC001240150144 1100879926 /nfs/dbraw/zinc/87/99/26/1100879926.db2.gz QUDZUMRGXSQCHZ-UHFFFAOYSA-N 0 3 324.403 3.290 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](N(C)CC=C)C1 ZINC001194174253 1100882114 /nfs/dbraw/zinc/88/21/14/1100882114.db2.gz PNEYQKOYNXPFSP-RTBURBONSA-N 0 3 312.457 3.140 20 30 DGEDHN C/C(=N\O)c1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC001240414921 1100986527 /nfs/dbraw/zinc/98/65/27/1100986527.db2.gz GVBVYQGHCKZEQV-LTGZKZEYSA-N 0 3 323.440 3.299 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ccoc2C)CC1 ZINC001194761934 1101008811 /nfs/dbraw/zinc/00/88/11/1101008811.db2.gz NQMIYQDUSCSVNS-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN C=CCCC(=O)N1CCCN(CCc2ccc(CC)cc2)CC1 ZINC001195233604 1101094672 /nfs/dbraw/zinc/09/46/72/1101094672.db2.gz XDUYTODBONIRLG-UHFFFAOYSA-N 0 3 314.473 3.292 20 30 DGEDHN C=CCCC(=O)N1CCCN(CCc2ccc(Cl)cc2)CC1 ZINC001195226958 1101103695 /nfs/dbraw/zinc/10/36/95/1101103695.db2.gz ZQXQNMWXIWSRJQ-UHFFFAOYSA-N 0 3 320.864 3.383 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC/C=C/CCC)CC2)CCC1 ZINC001196138438 1101255147 /nfs/dbraw/zinc/25/51/47/1101255147.db2.gz NAZHXOPYEWGWPP-VOTSOKGWSA-N 0 3 316.489 3.461 20 30 DGEDHN C=CCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)C(C)(C)C ZINC001196198222 1101265166 /nfs/dbraw/zinc/26/51/66/1101265166.db2.gz GOEYQQUYIXCVPH-UHFFFAOYSA-N 0 3 317.433 3.238 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C/C=C\Cc2ccccc2)CC1 ZINC001196215345 1101267954 /nfs/dbraw/zinc/26/79/54/1101267954.db2.gz CGXBRPVYFKLPLI-SREVYHEPSA-N 0 3 312.457 3.286 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196666024 1101362367 /nfs/dbraw/zinc/36/23/67/1101362367.db2.gz OPFBMEWYWQPGFC-IHHMQQGQSA-N 0 3 322.493 3.106 20 30 DGEDHN CCc1cncc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001241373026 1101412865 /nfs/dbraw/zinc/41/28/65/1101412865.db2.gz JZAMSHUZFWLNNV-AWEZNQCLSA-N 0 3 324.384 3.050 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001197236103 1101501842 /nfs/dbraw/zinc/50/18/42/1101501842.db2.gz CCRMXJZHYMZGKO-SFHVURJKSA-N 0 3 304.478 3.317 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001197236102 1101502405 /nfs/dbraw/zinc/50/24/05/1101502405.db2.gz CCRMXJZHYMZGKO-GOSISDBHSA-N 0 3 304.478 3.317 20 30 DGEDHN COc1cc(C2=CCN(Cc3ccccc3)CC2)ncc1C#N ZINC001241501717 1101514057 /nfs/dbraw/zinc/51/40/57/1101514057.db2.gz ULHTYQIKYAHHSF-UHFFFAOYSA-N 0 3 305.381 3.251 20 30 DGEDHN C#CCCN1CCCN(C(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC001197353505 1101538307 /nfs/dbraw/zinc/53/83/07/1101538307.db2.gz AMGFLQJDAQKWFL-GOSISDBHSA-N 0 3 312.457 3.128 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ncsc2C(C)C)CC1 ZINC001197776989 1101662169 /nfs/dbraw/zinc/66/21/69/1101662169.db2.gz CDFVSFLOUPSRGQ-UHFFFAOYSA-N 0 3 321.490 3.381 20 30 DGEDHN CCN1CCN(c2ccc(-c3cc(C)c(C#N)cn3)cc2)CC1 ZINC001241737242 1101669922 /nfs/dbraw/zinc/66/99/22/1101669922.db2.gz CVDGXLFEBINPKG-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN CCCCCCCCCC(=O)N1CCCN(C[C@H](C)O)CC1 ZINC001197928877 1101702362 /nfs/dbraw/zinc/70/23/62/1101702362.db2.gz YCMNMNOMWQTQEE-KRWDZBQOSA-N 0 3 312.498 3.042 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)C(C)(CC)CC ZINC001273759855 1101768127 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C=C(C)C[C@@H](C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198857416 1102003635 /nfs/dbraw/zinc/00/36/35/1102003635.db2.gz PBGJYFIQSDGLKV-GDBMZVCRSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](NCC)c2ccccc2OC)CCC1 ZINC001198885283 1102021726 /nfs/dbraw/zinc/02/17/26/1102021726.db2.gz CSSQQOHYJGARAN-MRXNPFEDSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198916216 1102027742 /nfs/dbraw/zinc/02/77/42/1102027742.db2.gz JOZBYRJQFFAGEV-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN Cc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c(C)o1 ZINC001242405876 1102110365 /nfs/dbraw/zinc/11/03/65/1102110365.db2.gz ZTKNULTYMUCFNI-ZDUSSCGKSA-N 0 3 313.357 3.302 20 30 DGEDHN Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c(C)c1 ZINC001110538267 1102171488 /nfs/dbraw/zinc/17/14/88/1102171488.db2.gz UWTCCPMVYRAENA-AQNXPRMDSA-N 0 3 324.468 3.184 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C2 ZINC001273847834 1102375855 /nfs/dbraw/zinc/37/58/55/1102375855.db2.gz DLHIASNJDSJQSN-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccccc1CC ZINC001201154346 1102501950 /nfs/dbraw/zinc/50/19/50/1102501950.db2.gz PMIJCDFRJIQKIB-HNNXBMFYSA-N 0 3 303.475 3.186 20 30 DGEDHN CCCCCCCCCCN1CCN(CC(N)=O)C(C)(C)C1 ZINC001201875436 1102750284 /nfs/dbraw/zinc/75/02/84/1102750284.db2.gz ZYPDFHXSYBXPDJ-UHFFFAOYSA-N 0 3 311.514 3.009 20 30 DGEDHN COc1ccc(-c2cccc(N3CCN(C)CC3)c2)c(CC#N)c1 ZINC001243671699 1102908066 /nfs/dbraw/zinc/90/80/66/1102908066.db2.gz XRDWYJJFQYBLOE-UHFFFAOYSA-N 0 3 321.424 3.180 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202343191 1102934372 /nfs/dbraw/zinc/93/43/72/1102934372.db2.gz STOGQKJENCFTOQ-RBUKOAKNSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001488680335 1103107684 /nfs/dbraw/zinc/10/76/84/1103107684.db2.gz VTEMTJOSDCAJCY-IBGZPJMESA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccccc1C ZINC001488701326 1103132805 /nfs/dbraw/zinc/13/28/05/1103132805.db2.gz CASDJYXYDCEMTR-QGZVFWFLSA-N 0 3 314.473 3.381 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@H](F)CC ZINC001325894451 1103154432 /nfs/dbraw/zinc/15/44/32/1103154432.db2.gz BBAVASLHAGSEFQ-KURKYZTESA-N 0 3 322.468 3.384 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H]3C[C@@H]3CC1)C2 ZINC001095798917 1103154876 /nfs/dbraw/zinc/15/48/76/1103154876.db2.gz JHUROKQIIJWWQJ-SUMCQTLJSA-N 0 3 302.462 3.110 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001488959600 1103206284 /nfs/dbraw/zinc/20/62/84/1103206284.db2.gz UPPQNXCHFMREJP-RRFJBIMHSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)c1ccccc1)C2 ZINC001111360588 1103245864 /nfs/dbraw/zinc/24/58/64/1103245864.db2.gz RWBJTQDINBPYNC-WTGUMLROSA-N 0 3 324.468 3.315 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1c1ccccc1 ZINC001489090952 1103291376 /nfs/dbraw/zinc/29/13/76/1103291376.db2.gz PORFUGGSPPTOAH-RTBURBONSA-N 0 3 312.457 3.029 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCCC3CCCC3)C[C@@H]2C1 ZINC001489208646 1103314786 /nfs/dbraw/zinc/31/47/86/1103314786.db2.gz YYXINEMZMSTDLM-MOPGFXCFSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C(C)(C)C(F)F ZINC001326458499 1103324107 /nfs/dbraw/zinc/32/41/07/1103324107.db2.gz ODNVONJOFFFGSG-UHFFFAOYSA-N 0 3 322.399 3.049 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)[C@H](C)c1cccc(OC)c1 ZINC001493001735 1103324093 /nfs/dbraw/zinc/32/40/93/1103324093.db2.gz WIRFCGDMOWXKPY-OAHLLOKOSA-N 0 3 318.461 3.407 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)SC)cc1 ZINC001326467101 1103327772 /nfs/dbraw/zinc/32/77/72/1103327772.db2.gz FFVWALSHXMKBEN-HUUCEWRRSA-N 0 3 318.486 3.118 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC001326481569 1103333512 /nfs/dbraw/zinc/33/35/12/1103333512.db2.gz RUXVIEKKDAXHLL-XFWGSAIBSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCCCC(=O)N1CCCCC[C@H](NCc2ccns2)C1 ZINC001489237674 1103335832 /nfs/dbraw/zinc/33/58/32/1103335832.db2.gz AJJOYALYXQNENP-HNNXBMFYSA-N 0 3 321.490 3.360 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CCC)c2ccccn2)[C@H]1C ZINC001489287888 1103342106 /nfs/dbraw/zinc/34/21/06/1103342106.db2.gz YRSGEUZSCZEARN-ZACQAIPSSA-N 0 3 315.461 3.120 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001114671731 1103379150 /nfs/dbraw/zinc/37/91/50/1103379150.db2.gz IVIJARCYXYRHGH-VQFNDLOPSA-N 0 3 324.424 3.191 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@H](CC)CCCCC)C2)CC1 ZINC001326602348 1103382730 /nfs/dbraw/zinc/38/27/30/1103382730.db2.gz CEJRHYGJWRZFRU-KRWDZBQOSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114679986 1103385695 /nfs/dbraw/zinc/38/56/95/1103385695.db2.gz CUXJUKBRBGTJCJ-ZSHCYNCHSA-N 0 3 318.486 3.205 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114791940 1103444216 /nfs/dbraw/zinc/44/42/16/1103444216.db2.gz LWMBBNHOHNQJQB-MUQADHOPSA-N 0 3 318.486 3.205 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001276333110 1103506092 /nfs/dbraw/zinc/50/60/92/1103506092.db2.gz DTYJWKPEMQGDDI-ZWKOTPCHSA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)C(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001490292557 1103542826 /nfs/dbraw/zinc/54/28/26/1103542826.db2.gz UBIXCLRKBXLRSO-PKOBYXMFSA-N 0 3 312.457 3.053 20 30 DGEDHN C/C=C(/C)C(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001490297041 1103545649 /nfs/dbraw/zinc/54/56/49/1103545649.db2.gz DLSHHFODFQFITH-PGGALJLESA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001490299950 1103546888 /nfs/dbraw/zinc/54/68/88/1103546888.db2.gz SXEAYIXVNHWASZ-KGLIPLIRSA-N 0 3 309.841 3.048 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001327148754 1103553660 /nfs/dbraw/zinc/55/36/60/1103553660.db2.gz VHPURAWMDWPZKU-QFBILLFUSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H](C)c1ccccc1 ZINC001276365163 1103561768 /nfs/dbraw/zinc/56/17/68/1103561768.db2.gz FFVHIQIHYDOFKN-AWEZNQCLSA-N 0 3 308.853 3.371 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC001327162252 1103562501 /nfs/dbraw/zinc/56/25/01/1103562501.db2.gz IBUFZBLCFJIKMQ-RBUKOAKNSA-N 0 3 312.457 3.174 20 30 DGEDHN CC[C@H](C)CC(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001490325389 1103570850 /nfs/dbraw/zinc/57/08/50/1103570850.db2.gz KEFSYSANXMSLEV-SFHVURJKSA-N 0 3 314.473 3.303 20 30 DGEDHN C#CCN(CCCNC(=O)CC1CC(c2ccccc2)C1)C1CC1 ZINC001490377750 1103582285 /nfs/dbraw/zinc/58/22/85/1103582285.db2.gz PAZHWNIVLKIXDW-UHFFFAOYSA-N 0 3 324.468 3.174 20 30 DGEDHN Cc1ccc(CN2CCC(N(C)C(=O)C#CC3CC3)CC2)cc1C ZINC001490407955 1103611340 /nfs/dbraw/zinc/61/13/40/1103611340.db2.gz UZRYZEYPFPLEGN-UHFFFAOYSA-N 0 3 324.468 3.140 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C/C=C(\C)C=C)C1 ZINC001327309581 1103619885 /nfs/dbraw/zinc/61/98/85/1103619885.db2.gz WIJPHIBJYCTOSK-FYMCVMTLSA-N 0 3 314.473 3.235 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC(C)(C)C=C)C1 ZINC001327308610 1103620043 /nfs/dbraw/zinc/62/00/43/1103620043.db2.gz PNOVATFWEVSLAF-ROUUACIJSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001490543811 1103642910 /nfs/dbraw/zinc/64/29/10/1103642910.db2.gz HWXDKJWCUXGELP-IBGZPJMESA-N 0 3 312.457 3.454 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001490554301 1103652113 /nfs/dbraw/zinc/65/21/13/1103652113.db2.gz LQLOQHVQYQAJJK-MRXNPFEDSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001490565541 1103661045 /nfs/dbraw/zinc/66/10/45/1103661045.db2.gz MFASCCYWSFOJAO-HNNXBMFYSA-N 0 3 317.433 3.103 20 30 DGEDHN CN(CCN(C)C(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC001202788421 1103670807 /nfs/dbraw/zinc/67/08/07/1103670807.db2.gz OJSNKLGEEIAYHB-UHFFFAOYSA-N 0 3 322.412 3.154 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001490614357 1103680642 /nfs/dbraw/zinc/68/06/42/1103680642.db2.gz GHWKWSWXIBCKGR-BQYQJAHWSA-N 0 3 315.461 3.307 20 30 DGEDHN Cc1c(C#N)cccc1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001244818144 1103700625 /nfs/dbraw/zinc/70/06/25/1103700625.db2.gz UGOZHAGJIRNSAD-FQEVSTJZSA-N 0 3 317.392 3.447 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3n1C)C2 ZINC001095938302 1103705457 /nfs/dbraw/zinc/70/54/57/1103705457.db2.gz REOCVTYDRUAEMQ-RYRKJORJSA-N 0 3 323.440 3.090 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001490699385 1103709621 /nfs/dbraw/zinc/70/96/21/1103709621.db2.gz MWLNSANIFPTGQX-XLIONFOSSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001490754407 1103725711 /nfs/dbraw/zinc/72/57/11/1103725711.db2.gz VZHXKLKTKPMXHY-INIZCTEOSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c[nH]1 ZINC001490784808 1103744389 /nfs/dbraw/zinc/74/43/89/1103744389.db2.gz OUMJOLJSGZRWBL-AEGPPILISA-N 0 3 321.852 3.312 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(C(C)C)n1)C2 ZINC001096179713 1103778517 /nfs/dbraw/zinc/77/85/17/1103778517.db2.gz HNDWFIJPIAZZNL-IPYPFGDCSA-N 0 3 319.474 3.178 20 30 DGEDHN C=CCOC[C@@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC001252450713 1103791365 /nfs/dbraw/zinc/79/13/65/1103791365.db2.gz GLVUPVCSLFNRCS-JQWIXIFHSA-N 0 3 304.217 3.208 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1csc(C#N)c1)c1ccco1 ZINC001328001358 1103797658 /nfs/dbraw/zinc/79/76/58/1103797658.db2.gz UNRYJMOGQREHCV-RISCZKNCSA-N 0 3 317.414 3.072 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncsc1C(C)C)C2 ZINC001096323334 1103800678 /nfs/dbraw/zinc/80/06/78/1103800678.db2.gz DSBBEFRXGXYLNG-RDBSUJKOSA-N 0 3 319.474 3.178 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(C)cccn3c1)C2 ZINC001096334155 1103801979 /nfs/dbraw/zinc/80/19/79/1103801979.db2.gz ADNKEICRJWWJDA-SQNIBIBYSA-N 0 3 323.440 3.159 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC)c(CC)o1)C2 ZINC001096358660 1103809413 /nfs/dbraw/zinc/80/94/13/1103809413.db2.gz VMYBAXWLLJUXKM-PMPSAXMXSA-N 0 3 316.445 3.316 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C2(CCC)CCC2)C(C)(C)C1 ZINC001328102510 1103846485 /nfs/dbraw/zinc/84/64/85/1103846485.db2.gz NLBMFWSCNUTRRN-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001096504286 1103852406 /nfs/dbraw/zinc/85/24/06/1103852406.db2.gz BWJBHVWWRQDZOV-HFTRVMKXSA-N 0 3 309.413 3.079 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001114349502 1103871686 /nfs/dbraw/zinc/87/16/86/1103871686.db2.gz XZUBSXVWQXLARS-DZFIZOCASA-N 0 3 316.420 3.037 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001328403705 1103935450 /nfs/dbraw/zinc/93/54/50/1103935450.db2.gz VZILUCZVCITMBI-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001328426838 1103943106 /nfs/dbraw/zinc/94/31/06/1103943106.db2.gz HTCQMWCVBDXMET-LESCRADOSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(c2cccc(C)c2)CC1 ZINC001328459138 1103951812 /nfs/dbraw/zinc/95/18/12/1103951812.db2.gz MTWGVQGLEXTJEO-HNNXBMFYSA-N 0 3 320.864 3.264 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)CC1(C)CCCC1 ZINC001328719380 1104037486 /nfs/dbraw/zinc/03/74/86/1104037486.db2.gz HDWAZAPGHGCGQX-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001329012751 1104124655 /nfs/dbraw/zinc/12/46/55/1104124655.db2.gz GOTQTDOQUKFGSR-ZIAGYGMSSA-N 0 3 322.399 3.141 20 30 DGEDHN COc1ccc(CN2CCC[C@](O)(c3ccccc3)C2)cc1C#N ZINC001329160589 1104174116 /nfs/dbraw/zinc/17/41/16/1104174116.db2.gz HBNVBGOAPFWFJR-HXUWFJFHSA-N 0 3 322.408 3.050 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001329302757 1104216158 /nfs/dbraw/zinc/21/61/58/1104216158.db2.gz JWQWTRPGWYTEFC-LBPRGKRZSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001329302755 1104215703 /nfs/dbraw/zinc/21/57/03/1104215703.db2.gz JWQWTRPGWYTEFC-GFCCVEGCSA-N 0 3 322.827 3.249 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@@H]1C(C)C ZINC001329346551 1104227382 /nfs/dbraw/zinc/22/73/82/1104227382.db2.gz UEYNAALKTKSSKE-KGLIPLIRSA-N 0 3 300.874 3.105 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccsc2C)C1=O ZINC001274073210 1104239717 /nfs/dbraw/zinc/23/97/17/1104239717.db2.gz JMXRBGMGRPLRRE-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN CCCCCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001329386505 1104243209 /nfs/dbraw/zinc/24/32/09/1104243209.db2.gz QEGYKNATFAQUEP-HNNXBMFYSA-N 0 3 301.434 3.075 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)CCOc1ccccc1 ZINC001329502050 1104289534 /nfs/dbraw/zinc/28/95/34/1104289534.db2.gz VNDNXKBEVRZCHF-MRXNPFEDSA-N 0 3 318.461 3.104 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C(C)C)oc1C)C2 ZINC001095408137 1104307086 /nfs/dbraw/zinc/30/70/86/1104307086.db2.gz FERDGHYIBZKFAV-ILXRZTDVSA-N 0 3 317.433 3.018 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC3(CC3)C1)C2 ZINC001095410913 1104323033 /nfs/dbraw/zinc/32/30/33/1104323033.db2.gz ZVPBQDSZFLQTEX-NCOADZHNSA-N 0 3 302.462 3.254 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC001274251267 1104335400 /nfs/dbraw/zinc/33/54/00/1104335400.db2.gz NGZWWQKDCXCPQH-GUYCJALGSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001330037653 1104459005 /nfs/dbraw/zinc/45/90/05/1104459005.db2.gz BPPZAOIVLPPLBM-CVEARBPZSA-N 0 3 300.446 3.225 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001274739446 1104476111 /nfs/dbraw/zinc/47/61/11/1104476111.db2.gz APMJCJWMZVOLGX-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001330088293 1104476912 /nfs/dbraw/zinc/47/69/12/1104476912.db2.gz KVJJZFHZYLJFLT-FUTAKVPZSA-N 0 3 312.457 3.411 20 30 DGEDHN C[C@H](CN[C@H](C)c1cccc(Cl)c1F)NC(=O)C#CC1CC1 ZINC001274747725 1104479223 /nfs/dbraw/zinc/47/92/23/1104479223.db2.gz RFYTZIVNPGXUAI-VXGBXAGGSA-N 0 3 322.811 3.048 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCN[C@H](C)c1cnccn1 ZINC001330884669 1104669846 /nfs/dbraw/zinc/66/98/46/1104669846.db2.gz ZLGSDNYMRMWNGJ-HUUCEWRRSA-N 0 3 318.465 3.014 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CCC1CCC1 ZINC001275377894 1104741725 /nfs/dbraw/zinc/74/17/25/1104741725.db2.gz VAVQIMKCPSOZFZ-STQMWFEESA-N 0 3 319.474 3.183 20 30 DGEDHN Cc1cc(C)cc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001275422578 1104754623 /nfs/dbraw/zinc/75/46/23/1104754623.db2.gz VDCWNWDCBWVISM-SFHVURJKSA-N 0 3 320.436 3.063 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001275460176 1104766584 /nfs/dbraw/zinc/76/65/84/1104766584.db2.gz JOIMVFXPOXXMOS-STQMWFEESA-N 0 3 323.868 3.320 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001275551854 1104805204 /nfs/dbraw/zinc/80/52/04/1104805204.db2.gz LVOFZGZISWHLPX-HNNXBMFYSA-N 0 3 312.413 3.029 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cccc(C)c1 ZINC001275643587 1104845002 /nfs/dbraw/zinc/84/50/02/1104845002.db2.gz AESYEFXPYAJGFR-UHFFFAOYSA-N 0 3 308.853 3.435 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC1CC(F)(F)C1 ZINC001275685127 1104863211 /nfs/dbraw/zinc/86/32/11/1104863211.db2.gz OENHAHLXQQPUKO-UHFFFAOYSA-N 0 3 322.827 3.249 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001275706770 1104873298 /nfs/dbraw/zinc/87/32/98/1104873298.db2.gz LRBNOYBPKCXAIL-RDJZCZTQSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1nccs1 ZINC001275789922 1104908864 /nfs/dbraw/zinc/90/88/64/1104908864.db2.gz DYTYMVPQKHRCRT-HUUCEWRRSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCNC(=S)N(C)C1CCN(Cc2ccccc2)CC1 ZINC001247613449 1104937834 /nfs/dbraw/zinc/93/78/34/1104937834.db2.gz HXJFIFMMZCEBTP-UHFFFAOYSA-N 0 3 317.502 3.033 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(CC)cc1 ZINC001275897564 1104947431 /nfs/dbraw/zinc/94/74/31/1104947431.db2.gz QEIHWOXBYJAODD-HNNXBMFYSA-N 0 3 302.462 3.398 20 30 DGEDHN CC(C)CCCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001275936805 1104961806 /nfs/dbraw/zinc/96/18/06/1104961806.db2.gz WMODWDHOQGZONG-MRXNPFEDSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001275994752 1104982943 /nfs/dbraw/zinc/98/29/43/1104982943.db2.gz XLKNCLJTPWFEHA-QWHCGFSZSA-N 0 3 306.475 3.109 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C2 ZINC001095436370 1105005328 /nfs/dbraw/zinc/00/53/28/1105005328.db2.gz WVEKJKMBQFKZIL-BIVLZKPYSA-N 0 3 304.478 3.356 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc13)C2 ZINC001095704360 1105099613 /nfs/dbraw/zinc/09/96/13/1105099613.db2.gz KUWXNFHIKWOCFV-BVGQSLNGSA-N 0 3 309.413 3.079 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1Cl)C2 ZINC001110984813 1105133805 /nfs/dbraw/zinc/13/38/05/1105133805.db2.gz NDVYSLRRTBYRNI-BNOWGMLFSA-N 0 3 308.809 3.234 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CCC(c2ncccn2)CC1 ZINC001248751980 1105155599 /nfs/dbraw/zinc/15/55/99/1105155599.db2.gz RPUYZZZIUUNLFM-UHFFFAOYSA-N 0 3 306.413 3.290 20 30 DGEDHN N#Cc1ccn2ncc(CN3CC[C@H](c4ccccc4F)C3)c2c1 ZINC001249106407 1105226510 /nfs/dbraw/zinc/22/65/10/1105226510.db2.gz HESNHRNHTHOZOG-HNNXBMFYSA-N 0 3 320.371 3.335 20 30 DGEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1SC ZINC001249376085 1105276819 /nfs/dbraw/zinc/27/68/19/1105276819.db2.gz QNXWQRSOYJNPJG-CQSZACIVSA-N 0 3 321.467 3.191 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cc(C)cc1F)C2 ZINC001097498984 1105405087 /nfs/dbraw/zinc/40/50/87/1105405087.db2.gz TUKVOMIUVBRGTL-WQVCFCJDSA-N 0 3 320.383 3.184 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc3ccccc3o1)C2 ZINC001097615121 1105413312 /nfs/dbraw/zinc/41/33/12/1105413312.db2.gz RGDGOBZTVDOTQQ-NXHRZFHOSA-N 0 3 324.424 3.273 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(F)c1F)C2 ZINC001097748970 1105440281 /nfs/dbraw/zinc/44/02/81/1105440281.db2.gz KZUSEEJZBVHGAP-HONMWMINSA-N 0 3 324.346 3.015 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cccc1Cl)C2 ZINC001097783936 1105443772 /nfs/dbraw/zinc/44/37/72/1105443772.db2.gz CKUWZZOVTYNTMJ-BMFZPTHFSA-N 0 3 316.832 3.007 20 30 DGEDHN CN1CCN(C2(c3ccc(-c4cccc(C#N)c4)cc3)CC2)CC1 ZINC001250590191 1105543199 /nfs/dbraw/zinc/54/31/99/1105543199.db2.gz HXLDKRCQDDFNNL-UHFFFAOYSA-N 0 3 317.436 3.462 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C2 ZINC001098102136 1105549185 /nfs/dbraw/zinc/54/91/85/1105549185.db2.gz DUWPMKFSONIGEE-NNIGNNQHSA-N 0 3 316.489 3.194 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001490920189 1105559032 /nfs/dbraw/zinc/55/90/32/1105559032.db2.gz WZLQMGTZFFUCQU-SHTZXODSSA-N 0 3 304.409 3.083 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCC=C3)C2 ZINC001098231063 1105563656 /nfs/dbraw/zinc/56/36/56/1105563656.db2.gz WZOUZRFNBNSHIZ-AQNXPRMDSA-N 0 3 320.436 3.004 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3[nH]ccc3s1)C2 ZINC001098289345 1105566733 /nfs/dbraw/zinc/56/67/33/1105566733.db2.gz XXVUPAUGUKLEQW-BZPMIXESSA-N 0 3 315.442 3.141 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1C)C2 ZINC001098452734 1105575785 /nfs/dbraw/zinc/57/57/85/1105575785.db2.gz OKPQAYZANXAYMB-ISARSNTHSA-N 0 3 312.457 3.396 20 30 DGEDHN CC(C)c1ccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC001250758440 1105578012 /nfs/dbraw/zinc/57/80/12/1105578012.db2.gz KMNQESPPMHGKAV-SJLPKXTDSA-N 0 3 316.445 3.175 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(c3ccccc3)C1)C2 ZINC001098485885 1105580727 /nfs/dbraw/zinc/58/07/27/1105580727.db2.gz ZARWIKDQXFENOF-WKXIVMOISA-N 0 3 324.468 3.478 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCCC1(C)C)C2 ZINC001098517606 1105581625 /nfs/dbraw/zinc/58/16/25/1105581625.db2.gz NWIXZMOVXZDYOU-TVFCKZIOSA-N 0 3 316.489 3.338 20 30 DGEDHN CC1(C)CN(C(=O)C2CCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001278617550 1105609530 /nfs/dbraw/zinc/60/95/30/1105609530.db2.gz BROBQKKDYPFACI-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001098869922 1105610810 /nfs/dbraw/zinc/61/08/10/1105610810.db2.gz UXRGXVWIZOCKAZ-PXNSSMCTSA-N 0 3 323.440 3.018 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001098895613 1105611359 /nfs/dbraw/zinc/61/13/59/1105611359.db2.gz FQSVUMNYICVFIL-UGSOOPFHSA-N 0 3 320.383 3.044 20 30 DGEDHN CC1(C)CC[C@@H](CNC(=O)C#CC2CC2)N(Cc2ccccc2)C1 ZINC001099065440 1105637790 /nfs/dbraw/zinc/63/77/90/1105637790.db2.gz SYBKODNCDSRREG-IBGZPJMESA-N 0 3 324.468 3.207 20 30 DGEDHN CC(C)=CCN1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)C ZINC001099065404 1105638146 /nfs/dbraw/zinc/63/81/46/1105638146.db2.gz RZYNLFANNATRLS-KRWDZBQOSA-N 0 3 304.478 3.219 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](OCC)C(C)C ZINC001099111176 1105643495 /nfs/dbraw/zinc/64/34/95/1105643495.db2.gz UFOIYPUKLDBWTJ-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001099142310 1105648846 /nfs/dbraw/zinc/64/88/46/1105648846.db2.gz PDLGBZMQOUHQBN-SJCJKPOMSA-N 0 3 324.371 3.378 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001099154299 1105650581 /nfs/dbraw/zinc/65/05/81/1105650581.db2.gz WJCTURIPYXOEBD-YYAJDYIMSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001099158507 1105652027 /nfs/dbraw/zinc/65/20/27/1105652027.db2.gz HSDMMHQOQXGQQQ-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001099177432 1105653761 /nfs/dbraw/zinc/65/37/61/1105653761.db2.gz JKAUBYPLRFEBNM-ICSRJNTNSA-N 0 3 310.441 3.334 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099194180 1105656933 /nfs/dbraw/zinc/65/69/33/1105656933.db2.gz LIFZVRXRCOZNCS-SJORKVTESA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(C)C)CC1 ZINC001099228875 1105659298 /nfs/dbraw/zinc/65/92/98/1105659298.db2.gz CJMGUMSGHRNCIH-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001099264576 1105662791 /nfs/dbraw/zinc/66/27/91/1105662791.db2.gz VKVRJPUMEZBSSR-HOTGVXAUSA-N 0 3 318.461 3.251 20 30 DGEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCC(C)(C)CN1CC=C ZINC001099324129 1105669175 /nfs/dbraw/zinc/66/91/75/1105669175.db2.gz HKDKLFWFVAMHJO-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN N#CC1(c2ccccc2)CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001251977763 1105717212 /nfs/dbraw/zinc/71/72/12/1105717212.db2.gz BXHXDHWSZQHPCT-LJQANCHMSA-N 0 3 306.409 3.277 20 30 DGEDHN C[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)C1 ZINC001491047456 1105740738 /nfs/dbraw/zinc/74/07/38/1105740738.db2.gz IXUBWLPGIPXXEP-FRYIKTPZSA-N 0 3 324.468 3.101 20 30 DGEDHN CC[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491053441 1105743373 /nfs/dbraw/zinc/74/33/73/1105743373.db2.gz VHDKNBWJSBRINN-YSTOQKLRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1 ZINC001278645557 1105743737 /nfs/dbraw/zinc/74/37/37/1105743737.db2.gz RIDYMKBBKDEARO-MRXNPFEDSA-N 0 3 315.461 3.011 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CCC(F)(F)[C@H](CO)C1 ZINC001252124289 1105745679 /nfs/dbraw/zinc/74/56/79/1105745679.db2.gz QKLAGYGIDNMTAA-LSDHHAIUSA-N 0 3 307.425 3.047 20 30 DGEDHN CCCCCCCC[C@@H](O)CN[C@H]1Cc2ccccc2NC1=O ZINC001252137332 1105748900 /nfs/dbraw/zinc/74/89/00/1105748900.db2.gz XMFLVFCURYAAJU-AEFFLSMTSA-N 0 3 318.461 3.251 20 30 DGEDHN CCCCCCCC[C@H](O)CNCC(=O)Nc1ccc(F)cc1 ZINC001252140027 1105749578 /nfs/dbraw/zinc/74/95/78/1105749578.db2.gz XFXDVOGYJUPHKH-KRWDZBQOSA-N 0 3 324.440 3.465 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001491235764 1105783928 /nfs/dbraw/zinc/78/39/28/1105783928.db2.gz GSRZZBMUFRRNMS-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001278671729 1105793030 /nfs/dbraw/zinc/79/30/30/1105793030.db2.gz BSLVZPPKXDOZKK-MRXNPFEDSA-N 0 3 314.420 3.216 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC1CC1 ZINC001491279543 1105795021 /nfs/dbraw/zinc/79/50/21/1105795021.db2.gz CBZJEMWYBDDUEP-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCC[C@H](O)CN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001252601674 1105800168 /nfs/dbraw/zinc/80/01/68/1105800168.db2.gz CCEZMAYEHVUSBA-ICSRJNTNSA-N 0 3 314.473 3.009 20 30 DGEDHN C=CCC[C@@H](O)CN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001252601675 1105801019 /nfs/dbraw/zinc/80/10/19/1105801019.db2.gz CCEZMAYEHVUSBA-QUCCMNQESA-N 0 3 314.473 3.009 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCCN(CC#CC)C2)CCCC1 ZINC001491300971 1105803204 /nfs/dbraw/zinc/80/32/04/1105803204.db2.gz WVRMIEDMPCOUFU-ZWKOTPCHSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCC[C@H](O)CN[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001252618076 1105806096 /nfs/dbraw/zinc/80/60/96/1105806096.db2.gz OTHSJNWJESXFFH-KSSFIOAISA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCC[C@H](O)CNCc1cncn1Cc1ccccc1Cl ZINC001252621659 1105806785 /nfs/dbraw/zinc/80/67/85/1105806785.db2.gz FUXJZXZCIDUSAV-INIZCTEOSA-N 0 3 319.836 3.002 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252622579 1105806914 /nfs/dbraw/zinc/80/69/14/1105806914.db2.gz XAEPLZUTXQRVRC-TZMCWYRMSA-N 0 3 314.351 3.468 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001491451916 1105829634 /nfs/dbraw/zinc/82/96/34/1105829634.db2.gz JZWIYAKCFHESMG-AWEZNQCLSA-N 0 3 320.864 3.292 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001100839440 1105854322 /nfs/dbraw/zinc/85/43/22/1105854322.db2.gz LVVWMBXWCNPKKX-SHARSMKWSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CC[C@@H](C(=O)N1C[C@@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001278690673 1105866520 /nfs/dbraw/zinc/86/65/20/1105866520.db2.gz SSWNRQPIMZPZCZ-IAGOWNOFSA-N 0 3 318.436 3.142 20 30 DGEDHN CCCC[C@H](CC)COC[C@@H](O)CNCC#Cc1ccccc1 ZINC001253027294 1105878934 /nfs/dbraw/zinc/87/89/34/1105878934.db2.gz WEORHDOOPQOLMH-ICSRJNTNSA-N 0 3 317.473 3.222 20 30 DGEDHN C=CCCCCCC[C@H](O)CN1CCC(c2nc(C)no2)CC1 ZINC001253241364 1105907970 /nfs/dbraw/zinc/90/79/70/1105907970.db2.gz VFAHATROEFFBPG-KRWDZBQOSA-N 0 3 321.465 3.445 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1ccc(OC)c(OC)n1 ZINC001253255010 1105912546 /nfs/dbraw/zinc/91/25/46/1105912546.db2.gz GHVDVQHAIBBVFB-INIZCTEOSA-N 0 3 322.449 3.076 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCCCCCCC)C[C@]2(C)C1 ZINC001101442304 1105919208 /nfs/dbraw/zinc/91/92/08/1105919208.db2.gz CYGHJXJTEBYWIW-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN CCCCC[C@H](O)CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001253539193 1105954161 /nfs/dbraw/zinc/95/41/61/1105954161.db2.gz VDCOAHQKYOXEEY-ZWKOTPCHSA-N 0 3 316.445 3.343 20 30 DGEDHN CCCCCCCCCCCC[C@H](O)CNC1(C(N)=O)CC1 ZINC001253563410 1105959435 /nfs/dbraw/zinc/95/94/35/1105959435.db2.gz FMPUPFHLDBYSSH-INIZCTEOSA-N 0 3 312.498 3.266 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101996706 1106007217 /nfs/dbraw/zinc/00/72/17/1106007217.db2.gz CWNZGWZCEGLHJF-FPTQRPOBSA-N 0 3 310.869 3.191 20 30 DGEDHN CCCCCCCCCCCc1cn(C[C@@H]2CNCCO2)nn1 ZINC001254059994 1106013412 /nfs/dbraw/zinc/01/34/12/1106013412.db2.gz PCZPPQNZACNYEX-SFHVURJKSA-N 0 3 322.497 3.340 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@H](N2CCC[C@H](CC#N)C2)C1 ZINC001254202295 1106034625 /nfs/dbraw/zinc/03/46/25/1106034625.db2.gz KYLUTYUEULYOIP-CVEARBPZSA-N 0 3 321.465 3.402 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccsc2)C1 ZINC001102655794 1106089912 /nfs/dbraw/zinc/08/99/12/1106089912.db2.gz XENFBYRTNHELTM-DGCLKSJQSA-N 0 3 312.866 3.188 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2C=CCC2)C1 ZINC001102656885 1106091501 /nfs/dbraw/zinc/09/15/01/1106091501.db2.gz RAPKNYQRPVTKOP-FVQBIDKESA-N 0 3 310.869 3.169 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2coc(C)c2)C1 ZINC001102907905 1106118323 /nfs/dbraw/zinc/11/83/23/1106118323.db2.gz HUWYCOMLIVZNAI-BXUZGUMPSA-N 0 3 310.825 3.028 20 30 DGEDHN CC(C)(C)OC(=O)Nc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccn1 ZINC001254638860 1106118704 /nfs/dbraw/zinc/11/87/04/1106118704.db2.gz QZFUXGIBEDMTCD-GXTWGEPZSA-N 0 3 316.405 3.210 20 30 DGEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)ncc1Br ZINC001254652388 1106123579 /nfs/dbraw/zinc/12/35/79/1106123579.db2.gz CVNBORIBXHQZES-QJPTWQEYSA-N 0 3 308.223 3.495 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@]1(C)CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254660918 1106126654 /nfs/dbraw/zinc/12/66/54/1106126654.db2.gz NFHBROUOAFTQJV-KEYYUXOJSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2[C@H]2CC[C@H](C#N)C2)C1 ZINC001254660102 1106126760 /nfs/dbraw/zinc/12/67/60/1106126760.db2.gz FVYSPOCLZHUGLB-MPGHIAIKSA-N 0 3 319.449 3.154 20 30 DGEDHN N#C[C@H]1CC[C@@H](N2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001254662202 1106127898 /nfs/dbraw/zinc/12/78/98/1106127898.db2.gz CXEAJIQOIYWVMB-DZGCQCFKSA-N 0 3 324.453 3.298 20 30 DGEDHN COC(=O)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC001254676666 1106131523 /nfs/dbraw/zinc/13/15/23/1106131523.db2.gz MWRIQHASVZDNTG-DZOHQFGASA-N 0 3 312.413 3.305 20 30 DGEDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1[C@H]1CC[C@H](C#N)C1 ZINC001254676728 1106132063 /nfs/dbraw/zinc/13/20/63/1106132063.db2.gz NNKIKWOOSBTWIR-CBBWQLFWSA-N 0 3 307.438 3.056 20 30 DGEDHN C=CCN(CC=C)[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254704559 1106134526 /nfs/dbraw/zinc/13/45/26/1106134526.db2.gz ZFBUTDMXGUROSZ-AWEZNQCLSA-N 0 3 324.490 3.155 20 30 DGEDHN C=CCN(CC=C)[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254704560 1106134764 /nfs/dbraw/zinc/13/47/64/1106134764.db2.gz ZFBUTDMXGUROSZ-CQSZACIVSA-N 0 3 324.490 3.155 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CC[C@@H](NCCC#N)C2)CC1 ZINC001254737008 1106137031 /nfs/dbraw/zinc/13/70/31/1106137031.db2.gz XSFKNJZYVVLMGK-CQSZACIVSA-N 0 3 307.438 3.059 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](NCC1(C#N)CCC1)C2 ZINC001254760838 1106139015 /nfs/dbraw/zinc/13/90/15/1106139015.db2.gz YIVCCEVWXQGFTQ-AWEZNQCLSA-N 0 3 319.449 3.059 20 30 DGEDHN CCCN(CCC#N)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254782144 1106141268 /nfs/dbraw/zinc/14/12/68/1106141268.db2.gz UBTRYPRGASKNGT-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN N#CCCN(Cc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001255111670 1106182114 /nfs/dbraw/zinc/18/21/14/1106182114.db2.gz SYLYZPGDVRGADK-HXUWFJFHSA-N 0 3 320.440 3.072 20 30 DGEDHN N#CCN(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001255119575 1106183961 /nfs/dbraw/zinc/18/39/61/1106183961.db2.gz VYUGUNQCEQHGND-HXUWFJFHSA-N 0 3 305.425 3.287 20 30 DGEDHN CC[C@H](CC#N)NCC1(c2ccccc2OC)CCOCC1 ZINC001255156048 1106193189 /nfs/dbraw/zinc/19/31/89/1106193189.db2.gz DWKCVJRHHQLBHG-OAHLLOKOSA-N 0 3 302.418 3.025 20 30 DGEDHN CC[C@@H](CC#N)NCCc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC001255159481 1106193954 /nfs/dbraw/zinc/19/39/54/1106193954.db2.gz WZYUBQTZOXTEBA-KRWDZBQOSA-N 0 3 316.445 3.395 20 30 DGEDHN CC[C@H](CC#N)NC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC001255160085 1106194071 /nfs/dbraw/zinc/19/40/71/1106194071.db2.gz FTGDTDBPWPTLDQ-OAHLLOKOSA-N 0 3 319.424 3.081 20 30 DGEDHN CC[C@H](CC#N)NC1(Cc2ccc(OC)cc2)CCOCC1 ZINC001255162642 1106195168 /nfs/dbraw/zinc/19/51/68/1106195168.db2.gz VDXNDUVXGPUJAO-MRXNPFEDSA-N 0 3 302.418 3.069 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001255161363 1106195335 /nfs/dbraw/zinc/19/53/35/1106195335.db2.gz ZUKBOQDNGRTNOR-BRWVUGGUSA-N 0 3 317.408 3.149 20 30 DGEDHN CC[C@@H](CC#N)NCC1(Cc2ccccc2OC)CCOCC1 ZINC001255162277 1106195622 /nfs/dbraw/zinc/19/56/22/1106195622.db2.gz MFTHYKOBNNGPJZ-KRWDZBQOSA-N 0 3 316.445 3.316 20 30 DGEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001255164766 1106196575 /nfs/dbraw/zinc/19/65/75/1106196575.db2.gz QKPQGAVAUAUNHC-KGLIPLIRSA-N 0 3 307.438 3.058 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H](C)CCC(C)C ZINC001256367418 1106411328 /nfs/dbraw/zinc/41/13/28/1106411328.db2.gz DZQHAEBWMPGZSM-WBVHZDCISA-N 0 3 305.466 3.347 20 30 DGEDHN C[C@@H]1C[C@H](NCc2cc(C#N)co2)CCN1C(=O)OC(C)(C)C ZINC001256464965 1106426925 /nfs/dbraw/zinc/42/69/25/1106426925.db2.gz CXFKGAMOFUKQCS-TZMCWYRMSA-N 0 3 319.405 3.029 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC(C)(C)C=C)C2)CC1 ZINC001278963862 1106481935 /nfs/dbraw/zinc/48/19/35/1106481935.db2.gz GXFYSYXCIHTFHB-SFHVURJKSA-N 0 3 316.489 3.173 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccccc1)c1ccccc1CC ZINC001278964429 1106482251 /nfs/dbraw/zinc/48/22/51/1106482251.db2.gz UJODJYZYHDMROT-FQEVSTJZSA-N 0 3 320.436 3.333 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(C)n1)c1ccccc1CC ZINC001278968871 1106497654 /nfs/dbraw/zinc/49/76/54/1106497654.db2.gz ASKNUQXPYGTMRQ-IBGZPJMESA-N 0 3 323.440 3.199 20 30 DGEDHN CCCCCCC[C@@H](C)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001258048492 1106664105 /nfs/dbraw/zinc/66/41/05/1106664105.db2.gz VCWZJAKOQMZLNM-CQSZACIVSA-N 0 3 320.481 3.152 20 30 DGEDHN CCOC(=O)CCC[C@@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001258118432 1106676726 /nfs/dbraw/zinc/67/67/26/1106676726.db2.gz XZRNUAJEEOHNEK-CQSZACIVSA-N 0 3 300.402 3.038 20 30 DGEDHN CCOC(=O)C1(C#N)CCN([C@@H](C)CC(C)(C)SC)CC1 ZINC001258345973 1106719557 /nfs/dbraw/zinc/71/95/57/1106719557.db2.gz QYRAWKRKZBCIMO-ZDUSSCGKSA-N 0 3 312.479 3.075 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001279096613 1106732669 /nfs/dbraw/zinc/73/26/69/1106732669.db2.gz CBCQQBOYOZQNTC-IAGOWNOFSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H](CC)Cc2ccccc2)CC1 ZINC001316933893 1106781378 /nfs/dbraw/zinc/78/13/78/1106781378.db2.gz QHGHRSLVCDBKOI-GOSISDBHSA-N 0 3 314.473 3.364 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1cccc(CC)c1 ZINC001320033363 1106801054 /nfs/dbraw/zinc/80/10/54/1106801054.db2.gz ALJUHJBMFHAXNL-UHFFFAOYSA-N 0 3 314.473 3.333 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001316951161 1106814808 /nfs/dbraw/zinc/81/48/08/1106814808.db2.gz ZAKMJPYKAAFRHJ-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001316949470 1106815148 /nfs/dbraw/zinc/81/51/48/1106815148.db2.gz SNZIOBGTKYZWRH-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001316950951 1106815643 /nfs/dbraw/zinc/81/56/43/1106815643.db2.gz GHPVURQBCYXPPX-SWLSCSKDSA-N 0 3 321.490 3.309 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC001320091181 1106860820 /nfs/dbraw/zinc/86/08/20/1106860820.db2.gz HHRVDOGPDQMPCB-SFHVURJKSA-N 0 3 311.429 3.266 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001316991763 1106871899 /nfs/dbraw/zinc/87/18/99/1106871899.db2.gz KJSQMHFYMUJEQO-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001316998052 1106880728 /nfs/dbraw/zinc/88/07/28/1106880728.db2.gz IRJBZFXWIKSMKW-DOTOQJQBSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001320208217 1106927317 /nfs/dbraw/zinc/92/73/17/1106927317.db2.gz GXOMYHXKQDSANV-CQSZACIVSA-N 0 3 301.308 3.362 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001258733947 1106940104 /nfs/dbraw/zinc/94/01/04/1106940104.db2.gz OWYZOZCMRKLOBS-XJKSGUPXSA-N 0 3 300.418 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001317125038 1107022746 /nfs/dbraw/zinc/02/27/46/1107022746.db2.gz IJRNHQKRJOBRJS-WQVCFCJDSA-N 0 3 306.837 3.170 20 30 DGEDHN Cc1ncc2c(n1)CCC[C@H]2NC1CC(C#N)(c2ccccc2)C1 ZINC001320562772 1107054652 /nfs/dbraw/zinc/05/46/52/1107054652.db2.gz NRMYYGKHFLBKBJ-NQKNOSNGSA-N 0 3 318.424 3.376 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001317154981 1107059525 /nfs/dbraw/zinc/05/95/25/1107059525.db2.gz MAZVXLAZKXIHSO-SJWLEHQBSA-N 0 3 319.276 3.490 20 30 DGEDHN C=C[C@@H](COC)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC001320591055 1107063526 /nfs/dbraw/zinc/06/35/26/1107063526.db2.gz BNSYDVGCPMPRJW-FZMZJTMJSA-N 0 3 303.431 3.365 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cccc(Cl)c1 ZINC001317180015 1107101087 /nfs/dbraw/zinc/10/10/87/1107101087.db2.gz ZTFPCUPDADHEHX-KRWDZBQOSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001317195890 1107113992 /nfs/dbraw/zinc/11/39/92/1107113992.db2.gz WOIUGEXMNCBKIF-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCC(=O)NC1CCC(NCc2conc2CC)CC1 ZINC001317220253 1107142144 /nfs/dbraw/zinc/14/21/44/1107142144.db2.gz NXGYNRJJFAPRFV-UHFFFAOYSA-N 0 3 319.449 3.110 20 30 DGEDHN CC(C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)=C1CCCC1 ZINC001317234299 1107158729 /nfs/dbraw/zinc/15/87/29/1107158729.db2.gz PEPLCKNSAKJDIN-GFCCVEGCSA-N 0 3 317.458 3.105 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC001320967701 1107205899 /nfs/dbraw/zinc/20/58/99/1107205899.db2.gz NZFQSQRODITQTI-RBUKOAKNSA-N 0 3 317.429 3.021 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(C(C)C)nc2C)C1 ZINC001317298897 1107217474 /nfs/dbraw/zinc/21/74/74/1107217474.db2.gz SGIRUTSIRGGCAK-KRWDZBQOSA-N 0 3 315.461 3.170 20 30 DGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC001321242166 1107300892 /nfs/dbraw/zinc/30/08/92/1107300892.db2.gz UWCWCPUOBILERD-ZYHUDNBSSA-N 0 3 301.333 3.148 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2occc2s1 ZINC001317405240 1107324680 /nfs/dbraw/zinc/32/46/80/1107324680.db2.gz FTRIISAYXWCZSR-SNVBAGLBSA-N 0 3 312.822 3.345 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001321374646 1107335405 /nfs/dbraw/zinc/33/54/05/1107335405.db2.gz VAKRSGYJSOUMOE-FPLPWBNLSA-N 0 3 318.420 3.253 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001317417360 1107341976 /nfs/dbraw/zinc/34/19/76/1107341976.db2.gz KLJXLGGKUFICPQ-LLVKDONJSA-N 0 3 323.799 3.158 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001317460297 1107410580 /nfs/dbraw/zinc/41/05/80/1107410580.db2.gz ZRAWESWVUCWIDJ-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)CCc2ccccc2)CCC1 ZINC001317460180 1107411175 /nfs/dbraw/zinc/41/11/75/1107411175.db2.gz SIXPJZKDERPAQA-UHFFFAOYSA-N 0 3 300.446 3.024 20 30 DGEDHN CC[C@@H](CC(=O)N[C@H](C)CNCC#Cc1ccccc1)C(C)C ZINC001321713426 1107418827 /nfs/dbraw/zinc/41/88/27/1107418827.db2.gz ONLRTEVWAWHNHC-MJGOQNOKSA-N 0 3 314.473 3.205 20 30 DGEDHN CC[C@H](CC(=O)N[C@H](C)CNCC#Cc1ccccc1)C(C)C ZINC001321713425 1107419218 /nfs/dbraw/zinc/41/92/18/1107419218.db2.gz ONLRTEVWAWHNHC-IEBWSBKVSA-N 0 3 314.473 3.205 20 30 DGEDHN N#CCOc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001261553590 1107463908 /nfs/dbraw/zinc/46/39/08/1107463908.db2.gz FGDNYKOATKWARG-KRWDZBQOSA-N 0 3 323.352 3.274 20 30 DGEDHN C=CC1(CC(=O)N[C@@H](C)CNCc2ccccn2)CCCCC1 ZINC001322016335 1107486284 /nfs/dbraw/zinc/48/62/84/1107486284.db2.gz WFQTVSUKMLHQBZ-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001317528781 1107491739 /nfs/dbraw/zinc/49/17/39/1107491739.db2.gz TYPJCFGDXOVKFE-OAHLLOKOSA-N 0 3 320.864 3.490 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001317548533 1107521492 /nfs/dbraw/zinc/52/14/92/1107521492.db2.gz YDGASZHPWJBGTE-UHFFFAOYSA-N 0 3 313.228 3.068 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@](O)(c2ccccc2)C1 ZINC001261810221 1107533213 /nfs/dbraw/zinc/53/32/13/1107533213.db2.gz VTRXJDAATXXBEK-HXUWFJFHSA-N 0 3 322.408 3.050 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12)C1CC1 ZINC001317559364 1107539457 /nfs/dbraw/zinc/53/94/57/1107539457.db2.gz XHSHXJUROZIBCT-IAGOWNOFSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1[C@H]2CCCCCC[C@H]12)C1CC1 ZINC001317559365 1107539901 /nfs/dbraw/zinc/53/99/01/1107539901.db2.gz XHSHXJUROZIBCT-IRXDYDNUSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCNCc1ccc(Cl)s1 ZINC001317592050 1107556505 /nfs/dbraw/zinc/55/65/05/1107556505.db2.gz OGBRAPNSGWZTCV-UHFFFAOYSA-N 0 3 300.855 3.306 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CCNCc1cc(C)ccc1OC ZINC001317634287 1107573151 /nfs/dbraw/zinc/57/31/51/1107573151.db2.gz PDTVANRGRKJKEQ-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc2ccccn2c1)c1ccccc1 ZINC001317724876 1107624951 /nfs/dbraw/zinc/62/49/51/1107624951.db2.gz PGOCVKBIZMSLKN-IBGZPJMESA-N 0 3 319.408 3.186 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 ZINC001317727705 1107626892 /nfs/dbraw/zinc/62/68/92/1107626892.db2.gz WWSACZPWOVDHSJ-KBAYOESNSA-N 0 3 300.446 3.446 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)C(C)(F)F)c1ccccc1 ZINC001317727463 1107626973 /nfs/dbraw/zinc/62/69/73/1107626973.db2.gz SBSIEBSELSJAON-OAHLLOKOSA-N 0 3 322.399 3.138 20 30 DGEDHN C=CCCCN1CC[C@H](N(CCC)C(=O)c2scnc2C)C1 ZINC001317754987 1107641820 /nfs/dbraw/zinc/64/18/20/1107641820.db2.gz VZJURYKRZYDWOU-HNNXBMFYSA-N 0 3 321.490 3.344 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(CC)cc2)C1 ZINC001317770313 1107653781 /nfs/dbraw/zinc/65/37/81/1107653781.db2.gz QIVKBRDADWLQGU-IBGZPJMESA-N 0 3 312.457 3.199 20 30 DGEDHN C=CCCCC(=O)NCC[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC001317797122 1107674097 /nfs/dbraw/zinc/67/40/97/1107674097.db2.gz KAHKGGHGUPYJAY-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001317950731 1107762049 /nfs/dbraw/zinc/76/20/49/1107762049.db2.gz YNMWDYULMFMOGN-OAHLLOKOSA-N 0 3 318.486 3.397 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC001317956339 1107768201 /nfs/dbraw/zinc/76/82/01/1107768201.db2.gz PSTBYPFUDVFDKW-HNNXBMFYSA-N 0 3 321.490 3.392 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001317987279 1107785417 /nfs/dbraw/zinc/78/54/17/1107785417.db2.gz FRYVZMCAYOMYJO-CVEARBPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\c1ccccc1 ZINC001318195966 1107890951 /nfs/dbraw/zinc/89/09/51/1107890951.db2.gz LFYCCWDAKZPUOO-IDVICZFGSA-N 0 3 322.452 3.179 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCc1ccccc1Cl ZINC001323245486 1107901816 /nfs/dbraw/zinc/90/18/16/1107901816.db2.gz FXPUBYLWJQJWPF-MRXNPFEDSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001318269392 1107921902 /nfs/dbraw/zinc/92/19/02/1107921902.db2.gz PEWHTGZUWCFGNF-KRWDZBQOSA-N 0 3 300.446 3.206 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001323323807 1107936581 /nfs/dbraw/zinc/93/65/81/1107936581.db2.gz KBPCZSQJCQCWJL-ROUUACIJSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC001263089544 1107941748 /nfs/dbraw/zinc/94/17/48/1107941748.db2.gz LSERTEJUCNMZDV-OAHLLOKOSA-N 0 3 306.381 3.379 20 30 DGEDHN C=CCCC(=O)NCC1(N[C@H](CC)c2ccc(F)cc2)CC1 ZINC001323407941 1107967398 /nfs/dbraw/zinc/96/73/98/1107967398.db2.gz ZTRNPRBPRYYCHX-MRXNPFEDSA-N 0 3 304.409 3.481 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001323520240 1107995947 /nfs/dbraw/zinc/99/59/47/1107995947.db2.gz TWZYZRVKFQIKBD-CQSZACIVSA-N 0 3 321.490 3.101 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC001263294747 1108004704 /nfs/dbraw/zinc/00/47/04/1108004704.db2.gz GOUDWTCHOYPXNR-SQWLQELKSA-N 0 3 316.376 3.425 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 ZINC001323542718 1108006065 /nfs/dbraw/zinc/00/60/65/1108006065.db2.gz RNVHTIPCLDNZQH-MRXNPFEDSA-N 0 3 312.457 3.004 20 30 DGEDHN N#CC(C(=O)Cc1ccc(C2CCC2)cc1)C(=O)NC1CCCC1 ZINC001263314113 1108014395 /nfs/dbraw/zinc/01/43/95/1108014395.db2.gz GNGQTUARWADSKJ-SFHVURJKSA-N 0 3 324.424 3.264 20 30 DGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nccn1Cc1ccccc1 ZINC001263332346 1108019749 /nfs/dbraw/zinc/01/97/49/1108019749.db2.gz MPEQKBINSGTDFO-IXDOHACOSA-N 0 3 305.381 3.154 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCCCCC1 ZINC001263331068 1108019958 /nfs/dbraw/zinc/01/99/58/1108019958.db2.gz FAYKVDPJILHIPQ-MRXNPFEDSA-N 0 3 317.481 3.044 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001263332365 1108020701 /nfs/dbraw/zinc/02/07/01/1108020701.db2.gz NEWSJYURWZJCNN-CYBMUJFWSA-N 0 3 321.302 3.248 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCCCO1)c1nccn1Cc1ccccc1 ZINC001263332065 1108021071 /nfs/dbraw/zinc/02/10/71/1108021071.db2.gz GGWKLBGFTVFNOF-IRXDYDNUSA-N 0 3 323.396 3.067 20 30 DGEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001318469564 1108032479 /nfs/dbraw/zinc/03/24/79/1108032479.db2.gz FOTIKWCUOHLJSP-HXUWFJFHSA-N 0 3 324.468 3.140 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001318492613 1108053096 /nfs/dbraw/zinc/05/30/96/1108053096.db2.gz RQQSMQZYESDWGU-PKOBYXMFSA-N 0 3 312.457 3.455 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC(F)(F)F ZINC001323695947 1108055064 /nfs/dbraw/zinc/05/50/64/1108055064.db2.gz MFZXVCVGIJLNKJ-KGLIPLIRSA-N 0 3 318.383 3.360 20 30 DGEDHN C=CCCOCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC001323776293 1108080138 /nfs/dbraw/zinc/08/01/38/1108080138.db2.gz NTZISSZWLSOKAO-HDICACEKSA-N 0 3 322.493 3.223 20 30 DGEDHN CCCC1(C(=O)NC[C@H](CC)NCc2ccc(C#N)s2)CC1 ZINC001318569265 1108101430 /nfs/dbraw/zinc/10/14/30/1108101430.db2.gz HEBLXWUFTODGPV-ZDUSSCGKSA-N 0 3 319.474 3.184 20 30 DGEDHN CC[C@@H](CNC(=O)CCCC(C)C)NCC#Cc1ccccc1 ZINC001318574854 1108104513 /nfs/dbraw/zinc/10/45/13/1108104513.db2.gz FRZKNESAANSORW-IBGZPJMESA-N 0 3 314.473 3.349 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC001263616187 1108110418 /nfs/dbraw/zinc/11/04/18/1108110418.db2.gz PVOJLKDYPDCOPT-VHSXEESVSA-N 0 3 300.189 3.053 20 30 DGEDHN O=C(NC1(CNCC#Cc2ccccc2)CCCC1)C1CCCC1 ZINC001318614280 1108125394 /nfs/dbraw/zinc/12/53/94/1108125394.db2.gz MWGNYTFMKNXJQX-UHFFFAOYSA-N 0 3 324.468 3.247 20 30 DGEDHN CC/C=C(/C)C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001318616638 1108128550 /nfs/dbraw/zinc/12/85/50/1108128550.db2.gz IBCVKCJPDMZBOY-ZDLGFXPLSA-N 0 3 324.468 3.413 20 30 DGEDHN CC/C=C(\C)C(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001318616636 1108128608 /nfs/dbraw/zinc/12/86/08/1108128608.db2.gz IBCVKCJPDMZBOY-VCHYOVAHSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccncc2Cl)C[C@@H]1C ZINC001324045976 1108158147 /nfs/dbraw/zinc/15/81/47/1108158147.db2.gz AROMDAAFJOTTKU-ZFWWWQNUSA-N 0 3 321.852 3.170 20 30 DGEDHN C=CCC[NH2+]C[C@@]1(NC(=O)c2ccccc2[O-])CCCC[C@@H]1C ZINC001318739960 1108174362 /nfs/dbraw/zinc/17/43/62/1108174362.db2.gz DTVQDQURQWLDKJ-KXBFYZLASA-N 0 3 316.445 3.237 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1 ZINC001263808311 1108216703 /nfs/dbraw/zinc/21/67/03/1108216703.db2.gz ZTURWBCLHLOKAV-MJGOQNOKSA-N 0 3 312.457 3.474 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001263816531 1108224766 /nfs/dbraw/zinc/22/47/66/1108224766.db2.gz DJPLTEJXEDXFNC-UONOGXRCSA-N 0 3 320.399 3.464 20 30 DGEDHN CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)CC#Cc1ccccc1 ZINC001263821573 1108234340 /nfs/dbraw/zinc/23/43/40/1108234340.db2.gz VAFAOXVHGZFSFY-BBIZLLLXSA-N 0 3 324.468 3.317 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cscc2C)cc1 ZINC001318989455 1108267229 /nfs/dbraw/zinc/26/72/29/1108267229.db2.gz XTZHRINCFCDDLA-UHFFFAOYSA-N 0 3 312.438 3.099 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC1(C)C)C1CCN(CC=C(C)C)CC1 ZINC001324414379 1108279833 /nfs/dbraw/zinc/27/98/33/1108279833.db2.gz XDNKZEIUIOJMJZ-SFHVURJKSA-N 0 3 316.489 3.315 20 30 DGEDHN C=C[C@@H](C(=O)NCCC1CCN(CCF)CC1)c1ccccc1 ZINC001319043194 1108292054 /nfs/dbraw/zinc/29/20/54/1108292054.db2.gz GITRWGHNYKVQCK-GOSISDBHSA-N 0 3 318.436 3.144 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ncccc1C ZINC001263982272 1108323823 /nfs/dbraw/zinc/32/38/23/1108323823.db2.gz ABSDXMGCIUXJPN-WBVHZDCISA-N 0 3 315.461 3.073 20 30 DGEDHN Cc1cnc2ccccc2c1NCc1ccc(OCC#N)cc1 ZINC001319130867 1108326797 /nfs/dbraw/zinc/32/67/97/1108326797.db2.gz PMFKZLFSRBVJEJ-UHFFFAOYSA-N 0 3 303.365 3.480 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCC)CC[C@@H]1c1cccc(F)c1 ZINC001264040817 1108346712 /nfs/dbraw/zinc/34/67/12/1108346712.db2.gz QRPGWYNYMIZFAC-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cccc(C)c2)[C@H]1CC ZINC001264059419 1108359604 /nfs/dbraw/zinc/35/96/04/1108359604.db2.gz IQGNPCRPVPVJKK-ZWKOTPCHSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)OC2CCCCCC2)[C@H]1CC ZINC001264062651 1108362566 /nfs/dbraw/zinc/36/25/66/1108362566.db2.gz NFDSKCJCNBFYPA-BPQIPLTHSA-N 0 3 322.493 3.269 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)OC2CCCCCC2)[C@H]1CC ZINC001264062652 1108363079 /nfs/dbraw/zinc/36/30/79/1108363079.db2.gz NFDSKCJCNBFYPA-RYQLBKOJSA-N 0 3 322.493 3.269 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@](C)(F)CCCC)CC(C)(C)C1 ZINC001264194664 1108429256 /nfs/dbraw/zinc/42/92/56/1108429256.db2.gz DDTDKMGUGOYGJO-CRAIPNDOSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCO[C@@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001324704610 1108434497 /nfs/dbraw/zinc/43/44/97/1108434497.db2.gz NTFURXIJWDNZOX-CABCVRRESA-N 0 3 315.335 3.016 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)c2ccco2)CCCC1 ZINC001319374856 1108435764 /nfs/dbraw/zinc/43/57/64/1108435764.db2.gz NSBMJPLHNQTEEE-ZDUSSCGKSA-N 0 3 310.825 3.154 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CCC1CCC1 ZINC001319438027 1108466667 /nfs/dbraw/zinc/46/66/67/1108466667.db2.gz AZQUFFROQVMJHO-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001264366938 1108473777 /nfs/dbraw/zinc/47/37/77/1108473777.db2.gz OCKCIQZOYKWAHS-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(C(F)F)CCCC1 ZINC001264369432 1108478709 /nfs/dbraw/zinc/47/87/09/1108478709.db2.gz WKHCJTKHMZHNGS-CQSZACIVSA-N 0 3 314.420 3.311 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319463868 1108481955 /nfs/dbraw/zinc/48/19/55/1108481955.db2.gz KPLIPXIOYPREEN-KRWDZBQOSA-N 0 3 314.473 3.301 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CC2CCC(C)(C)CC2)CC1 ZINC001324904274 1108500399 /nfs/dbraw/zinc/50/03/99/1108500399.db2.gz GNZOJNOCGHYDQQ-UHFFFAOYSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001264392303 1108503765 /nfs/dbraw/zinc/50/37/65/1108503765.db2.gz KAXAVPXARNJWJU-TXEJJXNPSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2ncccc2C)CCC1 ZINC001319523504 1108506322 /nfs/dbraw/zinc/50/63/22/1108506322.db2.gz BBLXAKOTEWFKEZ-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001264400087 1108507311 /nfs/dbraw/zinc/50/73/11/1108507311.db2.gz UUNVLYYESRTEJP-SOUVJXGZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cscc2Cl)C1 ZINC001324942794 1108524426 /nfs/dbraw/zinc/52/44/26/1108524426.db2.gz ACHAMXIUYMQQKX-OAHLLOKOSA-N 0 3 312.866 3.419 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001324971461 1108542267 /nfs/dbraw/zinc/54/22/67/1108542267.db2.gz 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C=C(C)CN1CCC(NC(=O)[C@H](C)Sc2ccccc2)CC1 ZINC000106040464 432020902 /nfs/dbraw/zinc/02/09/02/432020902.db2.gz VQAGBRBOPMTKQV-HNNXBMFYSA-N 0 3 318.486 3.324 20 30 DGEDHN CN(CCC(=O)NCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000066871357 432022931 /nfs/dbraw/zinc/02/29/31/432022931.db2.gz QHGOHBNXVVHDNW-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000066989681 432024692 /nfs/dbraw/zinc/02/46/92/432024692.db2.gz NPRRZBWUHUNOJN-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN Cc1ccc(C)n1C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268738707 186373389 /nfs/dbraw/zinc/37/33/89/186373389.db2.gz YXGFNQPPCGKOJK-FQEVSTJZSA-N 0 3 323.440 3.347 20 30 DGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000130589166 432027438 /nfs/dbraw/zinc/02/74/38/432027438.db2.gz INASHACNXIZJHV-INIZCTEOSA-N 0 3 310.401 3.114 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](SC)c2ccccc2)CC1 ZINC000172542873 198112338 /nfs/dbraw/zinc/11/23/38/198112338.db2.gz DSQWBOLGUCTQEZ-QGZVFWFLSA-N 0 3 318.486 3.247 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202392494 /nfs/dbraw/zinc/39/24/94/202392494.db2.gz LHJHJZJZNIXIPI-UHFFFAOYSA-N 0 3 316.417 3.475 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)CC1CCN(C)CC1)c1ccccc1 ZINC000189139366 200355140 /nfs/dbraw/zinc/35/51/40/200355140.db2.gz PIPFADWEUHXCSY-GOSISDBHSA-N 0 3 300.446 3.147 20 30 DGEDHN N#Cc1ccc(F)cc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134868934 432088523 /nfs/dbraw/zinc/08/85/23/432088523.db2.gz OMOPXDNLSQNXLH-BEFAXECRSA-N 0 3 313.420 3.146 20 30 DGEDHN N#Cc1csc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000428531891 238024475 /nfs/dbraw/zinc/02/44/75/238024475.db2.gz DURYYDWMTMNNJO-IAGOWNOFSA-N 0 3 316.401 3.015 20 30 DGEDHN Cc1ccccc1CCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428784106 238031404 /nfs/dbraw/zinc/03/14/04/238031404.db2.gz JRKRIYZCHUVFKD-IBGZPJMESA-N 0 3 321.424 3.348 20 30 DGEDHN Cc1ccc([C@@H](CCn2cncn2)NCC2(CC#N)CC2)cc1 ZINC000430745506 238085521 /nfs/dbraw/zinc/08/55/21/238085521.db2.gz ZOUMASMECHIUSG-QGZVFWFLSA-N 0 3 309.417 3.001 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435754434 238346813 /nfs/dbraw/zinc/34/68/13/238346813.db2.gz WWGLXMXAGJQUPF-BDAKNGLRSA-N 0 3 317.336 3.028 20 30 DGEDHN C[C@@H](NCCC(=O)N(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000271869137 209283408 /nfs/dbraw/zinc/28/34/08/209283408.db2.gz MEJXDCIVDJGXPY-OAHLLOKOSA-N 0 3 307.397 3.262 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000246134228 432097998 /nfs/dbraw/zinc/09/79/98/432097998.db2.gz KXQDDERELDYXHD-YLJYHZDGSA-N 0 3 323.440 3.368 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc4occc4c3)C2)nc1 ZINC000292894029 223295365 /nfs/dbraw/zinc/29/53/65/223295365.db2.gz ZJBQAANHXFPPHD-KRWDZBQOSA-N 0 3 319.364 3.353 20 30 DGEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(-n2cc(Cl)cn2)n1 ZINC000442860053 239138992 /nfs/dbraw/zinc/13/89/92/239138992.db2.gz RMZOOEGOLVJCNW-SWLSCSKDSA-N 0 3 315.808 3.011 20 30 DGEDHN N#C[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000442861176 239140334 /nfs/dbraw/zinc/14/03/34/239140334.db2.gz MLDKSSKEEHBLPV-CABZTGNLSA-N 0 3 313.279 3.395 20 30 DGEDHN CO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000443071671 239171117 /nfs/dbraw/zinc/17/11/17/239171117.db2.gz ODPUXDAEDHWKMC-RDJZCZTQSA-N 0 3 302.418 3.368 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443650696 239223069 /nfs/dbraw/zinc/22/30/69/239223069.db2.gz JAASEMZKQJEHRJ-OWCLPIDISA-N 0 3 305.466 3.086 20 30 DGEDHN COc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000135138341 432099826 /nfs/dbraw/zinc/09/98/26/432099826.db2.gz ONPMXRGASDACMY-DOTOQJQBSA-N 0 3 302.443 3.427 20 30 DGEDHN C[C@H]1C[C@H](O)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444664324 239315924 /nfs/dbraw/zinc/31/59/24/239315924.db2.gz MCVYORWBUUKEJJ-PXNSSMCTSA-N 0 3 320.436 3.341 20 30 DGEDHN C=CCSCCNCc1cn(C)nc1-c1ccc(F)cc1 ZINC000449130708 240031216 /nfs/dbraw/zinc/03/12/16/240031216.db2.gz HKIXERKQUDYTSM-UHFFFAOYSA-N 0 3 305.422 3.235 20 30 DGEDHN N#CCc1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000449693130 240373648 /nfs/dbraw/zinc/37/36/48/240373648.db2.gz DCMCMCJMOOLMRQ-UHFFFAOYSA-N 0 3 306.413 3.224 20 30 DGEDHN COC(=O)[C@](C)(CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000189943836 432106675 /nfs/dbraw/zinc/10/66/75/432106675.db2.gz ZBYKMMLRHLFPTF-FOIQADDNSA-N 0 3 322.408 3.340 20 30 DGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCN(C2CC2)C1 ZINC000451096640 241002468 /nfs/dbraw/zinc/00/24/68/241002468.db2.gz XOTCHJWKXAXWCF-ZDUSSCGKSA-N 0 3 303.837 3.128 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC[C@]2(CCSC2)C1 ZINC000451972070 241289036 /nfs/dbraw/zinc/28/90/36/241289036.db2.gz MFUBCRDYMISKKQ-KRWDZBQOSA-N 0 3 302.443 3.286 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(OCC#N)cc2)C12CCC2 ZINC000268616056 432112288 /nfs/dbraw/zinc/11/22/88/432112288.db2.gz ACIJFXBBNPJYDB-ZWKOTPCHSA-N 0 3 314.429 3.368 20 30 DGEDHN C=C(C)CCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000455324328 242169381 /nfs/dbraw/zinc/16/93/81/242169381.db2.gz MAXTYALBYILLIE-QGZVFWFLSA-N 0 3 315.461 3.116 20 30 DGEDHN C=C(CC)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000455542784 242229899 /nfs/dbraw/zinc/22/98/99/242229899.db2.gz RNSYKRCOVGSIGG-QGZVFWFLSA-N 0 3 315.461 3.116 20 30 DGEDHN CCO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C ZINC000456129565 242356643 /nfs/dbraw/zinc/35/66/43/242356643.db2.gz BXWNHJRAIVUUBF-BPQIPLTHSA-N 0 3 314.429 3.032 20 30 DGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000271756905 209185947 /nfs/dbraw/zinc/18/59/47/209185947.db2.gz YWFRMEXGVJUFFE-MRXNPFEDSA-N 0 3 321.424 3.142 20 30 DGEDHN N#CCCCOc1cccc(CNCCc2ccccc2O)c1 ZINC000171246790 432116067 /nfs/dbraw/zinc/11/60/67/432116067.db2.gz VMFKJVDSOHVQFA-UHFFFAOYSA-N 0 3 310.397 3.407 20 30 DGEDHN C=CC[C@@H](C(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000275205186 212194697 /nfs/dbraw/zinc/19/46/97/212194697.db2.gz BNSWFLGYXYOAIX-RBUKOAKNSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458281202 243019186 /nfs/dbraw/zinc/01/91/86/243019186.db2.gz HRZMPISGLKOARI-UHFFFAOYSA-N 0 3 320.408 3.473 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)C2CCC2)CC1 ZINC000458315348 243029149 /nfs/dbraw/zinc/02/91/49/243029149.db2.gz FWCFXFSFZALSGT-KRWDZBQOSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@]2(C)CC(C)C)CC1 ZINC000458345361 243037931 /nfs/dbraw/zinc/03/79/31/243037931.db2.gz UYWIAVAREQYHLE-GOSISDBHSA-N 0 3 307.482 3.247 20 30 DGEDHN C=C(C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000458782667 243155522 /nfs/dbraw/zinc/15/55/22/243155522.db2.gz UZLYMXPBIIMUHW-DOTOQJQBSA-N 0 3 303.450 3.252 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458678373 243125208 /nfs/dbraw/zinc/12/52/08/243125208.db2.gz QQBQUWZSAIXRKX-UHFFFAOYSA-N 0 3 309.479 3.178 20 30 DGEDHN CCc1nnc(NC[C@@H](C)N2CCCC[C@@H]2C)c(C#N)c1CC ZINC000467737421 244004572 /nfs/dbraw/zinc/00/45/72/244004572.db2.gz KEMCVSPQXTZNCR-UONOGXRCSA-N 0 3 315.465 3.148 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000468008485 244014273 /nfs/dbraw/zinc/01/42/73/244014273.db2.gz AZXASZZRTGZWDY-QGZVFWFLSA-N 0 3 324.534 3.457 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000468008484 244014529 /nfs/dbraw/zinc/01/45/29/244014529.db2.gz AZXASZZRTGZWDY-KRWDZBQOSA-N 0 3 324.534 3.457 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)CC(C)(C)C2)CC1 ZINC000468063813 244020370 /nfs/dbraw/zinc/02/03/70/244020370.db2.gz BKAPECODXUIFLD-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN COCCN(C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000268682425 432119288 /nfs/dbraw/zinc/11/92/88/432119288.db2.gz MQOVFIIJKPQGEY-UZLBHIALSA-N 0 3 324.424 3.301 20 30 DGEDHN CC(C#N)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000470739258 244185564 /nfs/dbraw/zinc/18/55/64/244185564.db2.gz ZUQWGXPCYDFUFF-VHSXEESVSA-N 0 3 315.200 3.379 20 30 DGEDHN C[C@@H]1C[C@@H](O)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000471810177 244249564 /nfs/dbraw/zinc/24/95/64/244249564.db2.gz KGDHMCVDQOZWJC-DNVCBOLYSA-N 0 3 322.408 3.092 20 30 DGEDHN CC(C)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000473161410 244327869 /nfs/dbraw/zinc/32/78/69/244327869.db2.gz BREHWMZGQISDRU-MSOLQXFVSA-N 0 3 309.413 3.135 20 30 DGEDHN C[C@@]1(NCc2cccc(OCc3ccccc3C#N)c2)CCOC1 ZINC000120161365 284162199 /nfs/dbraw/zinc/16/21/99/284162199.db2.gz OQBOYVZTSNOFJG-HXUWFJFHSA-N 0 3 322.408 3.406 20 30 DGEDHN COc1ccc2c(c1)CCN(Cc1ccc(C#N)c(C)c1)CC2 ZINC000488109508 245147946 /nfs/dbraw/zinc/14/79/46/245147946.db2.gz KSNDGXZGILRGLT-UHFFFAOYSA-N 0 3 306.409 3.476 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](Cc3nccn3C)C2)ccc1C#N ZINC000488149100 245153697 /nfs/dbraw/zinc/15/36/97/245153697.db2.gz KTJPMCKURAFVSB-INIZCTEOSA-N 0 3 308.429 3.055 20 30 DGEDHN CCC1CCC(N(CCO)Cc2cc(C#N)ccc2OC)CC1 ZINC000488159980 245154066 /nfs/dbraw/zinc/15/40/66/245154066.db2.gz RWNVDBCMNOIWDS-UHFFFAOYSA-N 0 3 316.445 3.330 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(C1)CCCC2 ZINC000488571644 245211180 /nfs/dbraw/zinc/21/11/80/245211180.db2.gz GRVAKOIZSHOABH-KRWDZBQOSA-N 0 3 301.430 3.031 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(C1)CCCC2 ZINC000488571645 245211246 /nfs/dbraw/zinc/21/12/46/245211246.db2.gz GRVAKOIZSHOABH-QGZVFWFLSA-N 0 3 301.430 3.031 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC)c2)CC1 ZINC000264436615 203923191 /nfs/dbraw/zinc/92/31/91/203923191.db2.gz YKTFWSAPEPTBND-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN COCCN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCO[C@H]1C ZINC000489434406 245306110 /nfs/dbraw/zinc/30/61/10/245306110.db2.gz SJFHQRIMNPXUPO-YJBOKZPZSA-N 0 3 316.445 3.114 20 30 DGEDHN CN(CCc1ccc(Cl)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268709273 432123914 /nfs/dbraw/zinc/12/39/14/432123914.db2.gz SWRWOIDTRLLSET-SFHVURJKSA-N 0 3 314.816 3.420 20 30 DGEDHN C=CCn1cccc1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000490076419 245380607 /nfs/dbraw/zinc/38/06/07/245380607.db2.gz BIWHAYGYJGNDPT-UHFFFAOYSA-N 0 3 317.477 3.258 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000490253914 245391543 /nfs/dbraw/zinc/39/15/43/245391543.db2.gz SHYHIJLNSRCMDP-RYQLBKOJSA-N 0 3 300.446 3.335 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@H]2COC3(CCCC3)O2)cc1 ZINC000271723324 209157883 /nfs/dbraw/zinc/15/78/83/209157883.db2.gz ODDKFGAWWHMWMV-QAPCUYQASA-N 0 3 315.413 3.035 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cccc(CSCC)c2)CC1 ZINC000490689282 245422157 /nfs/dbraw/zinc/42/21/57/245422157.db2.gz NTHOTTQTNZBMEV-UHFFFAOYSA-N 0 3 316.470 3.223 20 30 DGEDHN COc1cccc(C2(NCCOc3ccc(C#N)cc3)CC2)c1 ZINC000271703806 209140154 /nfs/dbraw/zinc/14/01/54/209140154.db2.gz MDGQYZQTBJWFDV-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2cnccc2-c2ccccc2)CC1 ZINC000491724204 245549238 /nfs/dbraw/zinc/54/92/38/245549238.db2.gz FFCMZKPDFKHABL-UHFFFAOYSA-N 0 3 319.408 3.032 20 30 DGEDHN COc1cccc(N2CC[C@H](N[C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000266468407 205369339 /nfs/dbraw/zinc/36/93/39/205369339.db2.gz NLYGMRDMIAMFKX-YJBOKZPZSA-N 0 3 321.424 3.496 20 30 DGEDHN C[C@@H]1CCN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000267346323 206001270 /nfs/dbraw/zinc/00/12/70/206001270.db2.gz FOKNHRZHMLMWKD-MRXNPFEDSA-N 0 3 306.413 3.054 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccccc2F)cc1 ZINC000268789846 432133997 /nfs/dbraw/zinc/13/39/97/432133997.db2.gz LMNPDGVTKXHSJK-AUUYWEPGSA-N 0 3 313.372 3.222 20 30 DGEDHN CN(CCC1CCN(CCCC#N)CC1)C(=O)OC(C)(C)C ZINC000494365120 246138691 /nfs/dbraw/zinc/13/86/91/246138691.db2.gz PQDXCCVBNHYDFS-UHFFFAOYSA-N 0 3 309.454 3.259 20 30 DGEDHN N#CCCCNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494411789 246145107 /nfs/dbraw/zinc/14/51/07/246145107.db2.gz OPWWIAGRKFOTLC-UHFFFAOYSA-N 0 3 322.334 3.344 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](C1CC1)C(F)(F)F ZINC000494792389 246191197 /nfs/dbraw/zinc/19/11/97/246191197.db2.gz FWOQAMQGFLFQSY-UONOGXRCSA-N 0 3 310.319 3.216 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(F)cc1)C(C)C ZINC000496014197 246341536 /nfs/dbraw/zinc/34/15/36/246341536.db2.gz MOSGWTJCGUCIRU-QGZVFWFLSA-N 0 3 304.409 3.254 20 30 DGEDHN CC[C@@H](CC#N)NC1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495895006 246324161 /nfs/dbraw/zinc/32/41/61/246324161.db2.gz RRZUOAQIISLBOT-SLTAFYQDSA-N 0 3 309.454 3.352 20 30 DGEDHN C[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000496056225 246346334 /nfs/dbraw/zinc/34/63/34/246346334.db2.gz ZYYWIUILTSBJIU-ZIAGYGMSSA-N 0 3 317.433 3.464 20 30 DGEDHN CCOC(=O)N(C)C1CCN(CCCCC(C)(C)C#N)CC1 ZINC000496366321 246388231 /nfs/dbraw/zinc/38/82/31/246388231.db2.gz XOFNGSIBJXDLFM-UHFFFAOYSA-N 0 3 309.454 3.259 20 30 DGEDHN Cn1cc(CNCc2cc(C#N)cs2)c(-c2ccccc2)n1 ZINC000181827099 432146503 /nfs/dbraw/zinc/14/65/03/432146503.db2.gz DMUNFOACUFSSHK-UHFFFAOYSA-N 0 3 308.410 3.310 20 30 DGEDHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271910765 209317708 /nfs/dbraw/zinc/31/77/08/209317708.db2.gz ARHQRNDFUCVLDQ-WFASDCNBSA-N 0 3 304.365 3.034 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ncccc1[N+](=O)[O-])C(C)C ZINC000058648568 184125930 /nfs/dbraw/zinc/12/59/30/184125930.db2.gz XOIZOWSJDGKVSP-OAHLLOKOSA-N 0 3 304.394 3.100 20 30 DGEDHN Cc1oc(NC(=O)CN(C)[C@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000120014334 195080337 /nfs/dbraw/zinc/08/03/37/195080337.db2.gz UNYPPRKTTNWVDX-NHYWBVRUSA-N 0 3 303.406 3.217 20 30 DGEDHN C=CCN1CCC(Nc2cc(C)c(Br)cn2)CC1 ZINC000270223363 208289156 /nfs/dbraw/zinc/28/91/56/208289156.db2.gz IBPIJTASADNUIB-UHFFFAOYSA-N 0 3 310.239 3.215 20 30 DGEDHN CCN(CCOc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000338387235 253278592 /nfs/dbraw/zinc/27/85/92/253278592.db2.gz WSZZVNOETXHGPH-UHFFFAOYSA-N 0 3 324.380 3.188 20 30 DGEDHN C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000339000095 253387537 /nfs/dbraw/zinc/38/75/37/253387537.db2.gz ADOPNZGRMUHIGF-CHWSQXEVSA-N 0 3 302.378 3.141 20 30 DGEDHN C#Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000158338228 197263648 /nfs/dbraw/zinc/26/36/48/197263648.db2.gz IOATVFKLNFHMKK-UHFFFAOYSA-N 0 3 311.429 3.150 20 30 DGEDHN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000330781938 533103750 /nfs/dbraw/zinc/10/37/50/533103750.db2.gz YOLDONYKEKCJEZ-SNVBAGLBSA-N 0 3 323.780 3.203 20 30 DGEDHN CC(C#N)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000357803930 533108862 /nfs/dbraw/zinc/10/88/62/533108862.db2.gz LDQQMJJDIMYFQN-AWEZNQCLSA-N 0 3 321.355 3.386 20 30 DGEDHN Cc1nsc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000342832953 254061789 /nfs/dbraw/zinc/06/17/89/254061789.db2.gz WIEOTZLVUSAYEX-WBMJQRKESA-N 0 3 312.442 3.256 20 30 DGEDHN C[C@@H](c1ccco1)N(C)CCC(=O)Nc1sccc1C#N ZINC000343591758 254165203 /nfs/dbraw/zinc/16/52/03/254165203.db2.gz ZQXBAINCOGZPNJ-NSHDSACASA-N 0 3 303.387 3.234 20 30 DGEDHN Cc1ccnc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000343430635 254142623 /nfs/dbraw/zinc/14/26/23/254142623.db2.gz DLMSXGJDWLFJNI-DOTOQJQBSA-N 0 3 306.413 3.337 20 30 DGEDHN C[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC(C)(C)C1 ZINC000344035399 254216051 /nfs/dbraw/zinc/21/60/51/254216051.db2.gz SBLCRBZJIPLDDZ-PBHICJAKSA-N 0 3 311.429 3.032 20 30 DGEDHN COc1cccc(COCCN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000344292704 254251540 /nfs/dbraw/zinc/25/15/40/254251540.db2.gz GBYLOJWICAURFG-HNNXBMFYSA-N 0 3 310.397 3.434 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@H](NCc1ccc(C#N)cc1F)CC2 ZINC000345014789 254323129 /nfs/dbraw/zinc/32/31/29/254323129.db2.gz HBCRJMDNIZEKSZ-MRXNPFEDSA-N 0 3 312.392 3.122 20 30 DGEDHN CC(C)n1cc2c(n1)C[C@@H](NCc1ccc(C#N)s1)CC2 ZINC000345024966 254324300 /nfs/dbraw/zinc/32/43/00/254324300.db2.gz VGEZNLKYEPVFEI-ZDUSSCGKSA-N 0 3 300.431 3.044 20 30 DGEDHN CC#CCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000156549254 197122810 /nfs/dbraw/zinc/12/28/10/197122810.db2.gz JDJXFHTUAANVSA-UHFFFAOYSA-N 0 3 320.820 3.110 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2COc2ccccc2)cc1 ZINC000156383207 197108320 /nfs/dbraw/zinc/10/83/20/197108320.db2.gz HOMMTFLAVLYRSH-ICSRJNTNSA-N 0 3 322.408 3.135 20 30 DGEDHN C=C(C)CNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000156258933 197099680 /nfs/dbraw/zinc/09/96/80/197099680.db2.gz VNPMLOLAZXBOOC-SFHVURJKSA-N 0 3 315.461 3.116 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000120837555 195248294 /nfs/dbraw/zinc/24/82/94/195248294.db2.gz HQGMZAJSJDRSMV-DLBZAZTESA-N 0 3 302.393 3.477 20 30 DGEDHN C[C@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(C#N)cc1 ZINC000271614766 209062487 /nfs/dbraw/zinc/06/24/87/209062487.db2.gz BSNHBKDRKOANSR-KBXCAEBGSA-N 0 3 321.380 3.234 20 30 DGEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@@H]2C1 ZINC000451694295 285327388 /nfs/dbraw/zinc/32/73/88/285327388.db2.gz KTBXSCRPZLBEON-SOLBZPMBSA-N 0 3 303.833 3.174 20 30 DGEDHN CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000271623983 209071242 /nfs/dbraw/zinc/07/12/42/209071242.db2.gz DNTJHWYFAZIFJD-PKOBYXMFSA-N 0 3 310.397 3.039 20 30 DGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000347955759 533237399 /nfs/dbraw/zinc/23/73/99/533237399.db2.gz KYGNVDSQDBBXOD-RDTXWAMCSA-N 0 3 303.365 3.118 20 30 DGEDHN COCCOc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000339067013 533263306 /nfs/dbraw/zinc/26/33/06/533263306.db2.gz HVQLINORVPGHFZ-DZKIICNBSA-N 0 3 318.417 3.063 20 30 DGEDHN C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N1CCC(C)CC1 ZINC000330568964 533363283 /nfs/dbraw/zinc/36/32/83/533363283.db2.gz NNOMVLARSZTTLX-AWEZNQCLSA-N 0 3 306.454 3.063 20 30 DGEDHN COc1ccc(CCNCc2ccc(C#N)o2)c(Cl)c1OC ZINC000292850729 533496723 /nfs/dbraw/zinc/49/67/23/533496723.db2.gz BWCYOTYDKIGQSY-UHFFFAOYSA-N 0 3 320.776 3.154 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CSC)C1 ZINC000292526062 533502942 /nfs/dbraw/zinc/50/29/42/533502942.db2.gz WRXDCUMTRXUIAE-HNNXBMFYSA-N 0 3 320.458 3.021 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCSC(C)(C)CC1 ZINC000434693100 533504014 /nfs/dbraw/zinc/50/40/14/533504014.db2.gz CHPMJXAYOFOQQN-UHFFFAOYSA-N 0 3 320.458 3.163 20 30 DGEDHN Cc1ccc(N2CCC[C@@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000185845312 292131726 /nfs/dbraw/zinc/13/17/26/292131726.db2.gz NHUCPCLYWNKXNN-XYJFISCASA-N 0 3 311.429 3.162 20 30 DGEDHN COc1cccc(/C=N/[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000005291522 400087710 /nfs/dbraw/zinc/08/77/10/400087710.db2.gz GFIPLXYTSQSXGK-XNHPLOEXSA-N 0 3 310.397 3.094 20 30 DGEDHN N#Cc1ccc(CCN[C@@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000595056026 400092574 /nfs/dbraw/zinc/09/25/74/400092574.db2.gz PDBQVFAZUDMNSM-QGZVFWFLSA-N 0 3 309.417 3.130 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(C#N)cc1F ZINC000595061508 400095185 /nfs/dbraw/zinc/09/51/85/400095185.db2.gz OMOHUGXCQLLUAI-KNLKSIEXSA-N 0 3 308.422 3.038 20 30 DGEDHN C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1F ZINC000595080301 400101958 /nfs/dbraw/zinc/10/19/58/400101958.db2.gz JQIPNIVYRHNDNP-NHYWBVRUSA-N 0 3 314.335 3.491 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2c1ccn2C(F)F ZINC000595255621 400114139 /nfs/dbraw/zinc/11/41/39/400114139.db2.gz GSYZMEVRICZLEB-LBPRGKRZSA-N 0 3 320.343 3.386 20 30 DGEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1F ZINC000595255456 400114532 /nfs/dbraw/zinc/11/45/32/400114532.db2.gz XUTZAYKMNMAQBO-JKSUJKDBSA-N 0 3 305.397 3.050 20 30 DGEDHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC[C@@H](C#N)CCC#N ZINC000581657534 400082393 /nfs/dbraw/zinc/08/23/93/400082393.db2.gz XKODAIITHXMRPX-UONOGXRCSA-N 0 3 312.392 3.282 20 30 DGEDHN CCN1C[C@@H](CN(C)Cc2cccc(C#N)c2)Oc2ccccc21 ZINC000016423770 400173315 /nfs/dbraw/zinc/17/33/15/400173315.db2.gz RDLIGWFKKCQCJV-GOSISDBHSA-N 0 3 321.424 3.278 20 30 DGEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)O ZINC000595510077 400173707 /nfs/dbraw/zinc/17/37/07/400173707.db2.gz JWNKAUYJGMRPDI-SNVBAGLBSA-N 0 3 300.324 3.168 20 30 DGEDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000017305727 400178727 /nfs/dbraw/zinc/17/87/27/400178727.db2.gz QKRGKKVVZJPMQD-HNNXBMFYSA-N 0 3 317.396 3.332 20 30 DGEDHN CN(CCc1ccc(C#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000595300692 400121659 /nfs/dbraw/zinc/12/16/59/400121659.db2.gz FKEGYWWMHSQCGH-HXUWFJFHSA-N 0 3 306.409 3.347 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000066854604 400125832 /nfs/dbraw/zinc/12/58/32/400125832.db2.gz LAHFICTYUJZOFD-JTDSTZFVSA-N 0 3 315.461 3.165 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccccc2C)C1 ZINC000585753400 400138217 /nfs/dbraw/zinc/13/82/17/400138217.db2.gz WEHWJANVNXTFEZ-KRWDZBQOSA-N 0 3 300.446 3.209 20 30 DGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2ccccn2)C1 ZINC000595502452 400171024 /nfs/dbraw/zinc/17/10/24/400171024.db2.gz UWCOAAJVQUNWBD-INIZCTEOSA-N 0 3 307.397 3.341 20 30 DGEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1F ZINC000616749124 400219606 /nfs/dbraw/zinc/21/96/06/400219606.db2.gz PHKVHDJXFRCVFS-QZTJIDSGSA-N 0 3 321.399 3.266 20 30 DGEDHN CC(=O)Nc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000601119302 400239008 /nfs/dbraw/zinc/23/90/08/400239008.db2.gz XBVKSDUTNBXPEG-IBGZPJMESA-N 0 3 305.381 3.294 20 30 DGEDHN C=C(C)CCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595736242 400245438 /nfs/dbraw/zinc/24/54/38/400245438.db2.gz XIVHEGMMDNXESS-UHFFFAOYSA-N 0 3 321.428 3.037 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000595735130 400246362 /nfs/dbraw/zinc/24/63/62/400246362.db2.gz SRLITUZNJBNFNR-RCCFBDPRSA-N 0 3 312.413 3.112 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCCCC#N ZINC000588164072 400195688 /nfs/dbraw/zinc/19/56/88/400195688.db2.gz ILVYOPYBLQSABJ-SJLPKXTDSA-N 0 3 313.445 3.097 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1cnccc1C#N ZINC000092696060 400196277 /nfs/dbraw/zinc/19/62/77/400196277.db2.gz PBYXGQBLWNDSBF-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN N#CCCCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000588250617 400205796 /nfs/dbraw/zinc/20/57/96/400205796.db2.gz RGPRLLDSKJCABM-GOSISDBHSA-N 0 3 313.445 3.414 20 30 DGEDHN C=CCCCCCN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610080038 400212955 /nfs/dbraw/zinc/21/29/55/400212955.db2.gz GXJAAGNLQALJGZ-UHFFFAOYSA-N 0 3 305.466 3.349 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000610133341 400216128 /nfs/dbraw/zinc/21/61/28/400216128.db2.gz HUSUXTTZRNFMQI-IRXDYDNUSA-N 0 3 313.445 3.280 20 30 DGEDHN C=CCN(Cc1ccc2oc(C(=O)OC)cc2c1)[C@@H](C)COC ZINC000595645022 400217783 /nfs/dbraw/zinc/21/77/83/400217783.db2.gz DMVNJXROALVCNZ-ZDUSSCGKSA-N 0 3 317.385 3.242 20 30 DGEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000595801379 400264402 /nfs/dbraw/zinc/26/44/02/400264402.db2.gz WIHGGRDGYRPELG-KRWDZBQOSA-N 0 3 323.444 3.160 20 30 DGEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595822660 400271178 /nfs/dbraw/zinc/27/11/78/400271178.db2.gz ZPILESZGEFLNRE-ZOODHJKOSA-N 0 3 305.353 3.473 20 30 DGEDHN CC(C)CC1(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000595831737 400274407 /nfs/dbraw/zinc/27/44/07/400274407.db2.gz QUJFJZVCBSSSTM-QGZVFWFLSA-N 0 3 311.429 3.222 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC[C@@H]1CC1CCC1 ZINC000595867750 400283947 /nfs/dbraw/zinc/28/39/47/400283947.db2.gz PZUDKPHIPCLUAB-SJLPKXTDSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)CCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000097493251 400287222 /nfs/dbraw/zinc/28/72/22/400287222.db2.gz QLCNVYPMAWPFEV-PQUAAJSLSA-N 0 3 307.482 3.284 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000610672394 400288211 /nfs/dbraw/zinc/28/82/11/400288211.db2.gz QZCYBYLAZGONRO-ZWNOBZJWSA-N 0 3 307.191 3.272 20 30 DGEDHN N#Cc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)cc1F ZINC000595911193 400291721 /nfs/dbraw/zinc/29/17/21/400291721.db2.gz SUSHCSJJUNRGOJ-HDICACEKSA-N 0 3 300.377 3.090 20 30 DGEDHN N#Cc1cc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1F ZINC000610719322 400296042 /nfs/dbraw/zinc/29/60/42/400296042.db2.gz JKMVNGKBQYGVKJ-ROUUACIJSA-N 0 3 321.399 3.266 20 30 DGEDHN C[C@@]1(NCc2ccc(C#N)c(F)c2)CCN(Cc2ccccc2)C1 ZINC000406008497 400300468 /nfs/dbraw/zinc/30/04/68/400300468.db2.gz UDVYQONWRTZIIH-HXUWFJFHSA-N 0 3 323.415 3.452 20 30 DGEDHN CC(C)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000029197456 400301804 /nfs/dbraw/zinc/30/18/04/400301804.db2.gz QRXPYNABBIGRHF-GOSISDBHSA-N 0 3 313.445 3.316 20 30 DGEDHN CSc1ccc([C@H](CNC[C@@H](C#N)CCC#N)N(C)C)cc1 ZINC000578064529 400324895 /nfs/dbraw/zinc/32/48/95/400324895.db2.gz JEVHJCOSRBYCMX-PBHICJAKSA-N 0 3 316.474 3.044 20 30 DGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000029952734 400319059 /nfs/dbraw/zinc/31/90/59/400319059.db2.gz BMKSLRSNLLNSNX-AWEZNQCLSA-N 0 3 323.396 3.026 20 30 DGEDHN CSC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000601690832 400330651 /nfs/dbraw/zinc/33/06/51/400330651.db2.gz ATOTXLAFCQDYCY-OAHLLOKOSA-N 0 3 302.443 3.113 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000030772809 400332331 /nfs/dbraw/zinc/33/23/31/400332331.db2.gz RIQNWOPLJQSMHP-UHFFFAOYSA-N 0 3 307.397 3.191 20 30 DGEDHN CC(C)N1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000069617077 400336892 /nfs/dbraw/zinc/33/68/92/400336892.db2.gz ZMYTXHDZWGEBCR-UHFFFAOYSA-N 0 3 320.824 3.160 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000108514076 400344199 /nfs/dbraw/zinc/34/41/99/400344199.db2.gz PFXUPZJLJFINOS-HNNXBMFYSA-N 0 3 317.433 3.105 20 30 DGEDHN CCN1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)C[C@@H]1C ZINC000611084814 400344354 /nfs/dbraw/zinc/34/43/54/400344354.db2.gz WVFNAUDIGKLCAD-HNNXBMFYSA-N 0 3 308.429 3.254 20 30 DGEDHN CC(C)c1ccc(CN2CCC(CC#N)CC2)c(O)c(=O)c1 ZINC000596201754 400348122 /nfs/dbraw/zinc/34/81/22/400348122.db2.gz GDXXXNJJAFSQJE-UHFFFAOYSA-N 0 3 300.402 3.001 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)NCC#N)C1CCC(C)CC1 ZINC000611393699 400392833 /nfs/dbraw/zinc/39/28/33/400392833.db2.gz PUCLLULHFSSDRK-GSQSYGFSSA-N 0 3 313.445 3.092 20 30 DGEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000070975816 400364734 /nfs/dbraw/zinc/36/47/34/400364734.db2.gz DLLQNFWUUOEMGU-IBGZPJMESA-N 0 3 322.408 3.445 20 30 DGEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000070975816 400364739 /nfs/dbraw/zinc/36/47/39/400364739.db2.gz DLLQNFWUUOEMGU-IBGZPJMESA-N 0 3 322.408 3.445 20 30 DGEDHN COc1cccc([C@H](CNc2nc(C)cc(C)c2C#N)N(C)C)c1 ZINC000072672758 400397576 /nfs/dbraw/zinc/39/75/76/400397576.db2.gz KANQUBKLZYIIOF-SFHVURJKSA-N 0 3 324.428 3.294 20 30 DGEDHN COc1cccc([C@@H](C)N2CCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000590592917 400400011 /nfs/dbraw/zinc/40/00/11/400400011.db2.gz CSIQATBFDYULMG-DLBZAZTESA-N 0 3 315.461 3.314 20 30 DGEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000611438270 400401008 /nfs/dbraw/zinc/40/10/08/400401008.db2.gz AUKDDZYFDDODRW-LBPRGKRZSA-N 0 3 312.369 3.132 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)NCC2(C#N)CCCCC2)c1 ZINC000596478682 400424407 /nfs/dbraw/zinc/42/44/07/400424407.db2.gz IVHBRYWGLRDJHF-UHFFFAOYSA-N 0 3 314.433 3.344 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](N[C@@H](C)c1cccc(C#N)c1)CO2 ZINC000590778031 400432907 /nfs/dbraw/zinc/43/29/07/400432907.db2.gz SWAHYCALFNXZIZ-SUMWQHHRSA-N 0 3 308.381 3.221 20 30 DGEDHN CCN(C)C(=O)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000590779245 400434629 /nfs/dbraw/zinc/43/46/29/400434629.db2.gz BFSPIVOYAYFXOC-MSOLQXFVSA-N 0 3 313.445 3.028 20 30 DGEDHN N#Cc1ccc(NC[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000596558282 400444383 /nfs/dbraw/zinc/44/43/83/400444383.db2.gz PUNRWAXLTKXBFU-QGZVFWFLSA-N 0 3 322.368 3.153 20 30 DGEDHN C[C@@]1(C#N)CCCN(CCCCCN2CCC[C@@](C)(C#N)C2)C1 ZINC000612162564 400501272 /nfs/dbraw/zinc/50/12/72/400501272.db2.gz OQXHLDGYIIFQEZ-OALUTQOASA-N 0 3 316.493 3.408 20 30 DGEDHN C[C@@]1(C#N)CCCN(CCCCN2CCC[C@](C)(C#N)C2)C1 ZINC000612161333 400501310 /nfs/dbraw/zinc/50/13/10/400501310.db2.gz SGSMULSWAKCAPQ-HDICACEKSA-N 0 3 302.466 3.018 20 30 DGEDHN C[C@]1(C#N)CCCN(CCCCCN2CCC[C@](C)(C#N)C2)C1 ZINC000612162566 400501593 /nfs/dbraw/zinc/50/15/93/400501593.db2.gz OQXHLDGYIIFQEZ-RTBURBONSA-N 0 3 316.493 3.408 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000602580626 400503204 /nfs/dbraw/zinc/50/32/04/400503204.db2.gz CHQCFNOQAKUDOY-JKSUJKDBSA-N 0 3 319.836 3.245 20 30 DGEDHN C[C@H](CCC#N)CN[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000602584547 400505021 /nfs/dbraw/zinc/50/50/21/400505021.db2.gz FVGQSTIETICZIL-ABAIWWIYSA-N 0 3 323.799 3.114 20 30 DGEDHN CC(C)[C@@H](NC[C@H](C)CCC#N)c1nc(-c2ccncc2)no1 ZINC000602595550 400507522 /nfs/dbraw/zinc/50/75/22/400507522.db2.gz YQXVYPSJACFXDS-UKRRQHHQSA-N 0 3 313.405 3.358 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1cccc(C#N)n1 ZINC000602471191 400471817 /nfs/dbraw/zinc/47/18/17/400471817.db2.gz JRTXPFNQPHHDGJ-QGZVFWFLSA-N 0 3 320.440 3.050 20 30 DGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](O)C1CC1 ZINC000591016395 400476135 /nfs/dbraw/zinc/47/61/35/400476135.db2.gz ITTJSPOZOURKOW-FQEVSTJZSA-N 0 3 306.409 3.428 20 30 DGEDHN C=C[C@H](CC(=O)N(CC)[C@@H]1CCN(CC)C1)c1ccccc1 ZINC000617926352 400480040 /nfs/dbraw/zinc/48/00/40/400480040.db2.gz BOSLVDKGMWUEHO-SJLPKXTDSA-N 0 3 300.446 3.289 20 30 DGEDHN N#CCCN(C(=O)CN1CC[C@H](C2CCC2)C1)c1ccccc1 ZINC000591061907 400480748 /nfs/dbraw/zinc/48/07/48/400480748.db2.gz NJHIMYQKTMZWJI-KRWDZBQOSA-N 0 3 311.429 3.055 20 30 DGEDHN CCc1ccc(CN(CC(C)C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000602530777 400489193 /nfs/dbraw/zinc/48/91/93/400489193.db2.gz QIZOIKGWQQERBE-GOSISDBHSA-N 0 3 315.461 3.255 20 30 DGEDHN COc1ccc2c(c1)CCC[C@H]2CNCc1cccc(C#N)n1 ZINC000602619696 400514399 /nfs/dbraw/zinc/51/43/99/400514399.db2.gz ZTSOKLPFZPJGEP-HNNXBMFYSA-N 0 3 307.397 3.172 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000596928485 400526619 /nfs/dbraw/zinc/52/66/19/400526619.db2.gz WPKCUHXXUMRGRQ-HNNXBMFYSA-N 0 3 314.433 3.109 20 30 DGEDHN CCC[C@H](CN1CCC(Oc2ccc(C#N)cc2F)CC1)OC ZINC000602656863 400527647 /nfs/dbraw/zinc/52/76/47/400527647.db2.gz UPVWSWLWJXJATF-MRXNPFEDSA-N 0 3 320.408 3.356 20 30 DGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)[C@]12CCCO2 ZINC000602659506 400528339 /nfs/dbraw/zinc/52/83/39/400528339.db2.gz RQVOZTMXRFAGAN-GVDBMIGSSA-N 0 3 320.820 3.028 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596996433 400536063 /nfs/dbraw/zinc/53/60/63/400536063.db2.gz WFJPKEMMRYNIPZ-UHFFFAOYSA-N 0 3 305.466 3.183 20 30 DGEDHN N#CC1(c2ccc(CN3CCC(c4ncc[nH]4)CC3)cc2)CC1 ZINC000596995758 400536200 /nfs/dbraw/zinc/53/62/00/400536200.db2.gz NRTLLDWROLBKBN-UHFFFAOYSA-N 0 3 306.413 3.344 20 30 DGEDHN N#CC1(c2ccc(CN3CCc4ccccc4[C@H]3CO)cc2)CC1 ZINC000597010915 400539244 /nfs/dbraw/zinc/53/92/44/400539244.db2.gz ZIKYXGKAUIDQAI-HXUWFJFHSA-N 0 3 318.420 3.333 20 30 DGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCc2c1cnn2C ZINC000597025248 400541998 /nfs/dbraw/zinc/54/19/98/400541998.db2.gz ANVIGMZTVBDFQQ-GOSISDBHSA-N 0 3 320.440 3.485 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000591599374 400544312 /nfs/dbraw/zinc/54/43/12/400544312.db2.gz YOODNRBKJCNQIO-KRWDZBQOSA-N 0 3 305.381 3.221 20 30 DGEDHN COCCc1ccc(OC[C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000597051290 400546670 /nfs/dbraw/zinc/54/66/70/400546670.db2.gz TZXSRKIVZNVTLN-MRXNPFEDSA-N 0 3 324.424 3.304 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000591640191 400548183 /nfs/dbraw/zinc/54/81/83/400548183.db2.gz NZUPXELURXUEIQ-XJKSGUPXSA-N 0 3 314.820 3.367 20 30 DGEDHN CC[C@]1(O)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000602738622 400559139 /nfs/dbraw/zinc/55/91/39/400559139.db2.gz GIQUPEMNXIFQMT-SFHVURJKSA-N 0 3 302.418 3.106 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(CC)s1)C(C)C ZINC000139950607 400613818 /nfs/dbraw/zinc/61/38/18/400613818.db2.gz WUYAJWMSOAPGAB-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN CC1(F)CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000602992941 400622857 /nfs/dbraw/zinc/62/28/57/400622857.db2.gz KLTXXNJAOPPIME-UHFFFAOYSA-N 0 3 323.799 3.364 20 30 DGEDHN N#CC1(CC(=O)N2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000597399106 400625275 /nfs/dbraw/zinc/62/52/75/400625275.db2.gz LXSBNNOIZJMKRU-UHFFFAOYSA-N 0 3 317.477 3.327 20 30 DGEDHN COCC1(C2CCC2)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597196302 400584145 /nfs/dbraw/zinc/58/41/45/400584145.db2.gz QRFGAJIGYUJXHH-UHFFFAOYSA-N 0 3 310.441 3.490 20 30 DGEDHN N#CCC1(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000602834839 400586478 /nfs/dbraw/zinc/58/64/78/400586478.db2.gz DXZKAWGMXCKTMA-CQSZACIVSA-N 0 3 312.335 3.412 20 30 DGEDHN N#Cc1cnn2cc(CN3CCC[C@H](C4CCCCC4)C3)cnc12 ZINC000597237638 400596625 /nfs/dbraw/zinc/59/66/25/400596625.db2.gz AMYXTXHYMRENTL-KRWDZBQOSA-N 0 3 323.444 3.393 20 30 DGEDHN CN(C)c1ccccc1CN(C)CCOc1cccc(C#N)c1 ZINC000075721619 400608546 /nfs/dbraw/zinc/60/85/46/400608546.db2.gz SMRWBJHNAFBLDO-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]4CCC[C@@H]43)o2)c1 ZINC000075768740 400611395 /nfs/dbraw/zinc/61/13/95/400611395.db2.gz HNSWHADQKDSDJI-HOCLYGCPSA-N 0 3 308.385 3.373 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccc(C)cc2)CC1 ZINC000592524191 400663397 /nfs/dbraw/zinc/66/33/97/400663397.db2.gz XKPNSUPARCLPPF-UHFFFAOYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2cccc(Cl)c2)CC1 ZINC000076593071 400664316 /nfs/dbraw/zinc/66/43/16/400664316.db2.gz CWTHSGLTDJPXCK-UHFFFAOYSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000592528667 400664727 /nfs/dbraw/zinc/66/47/27/400664727.db2.gz ROHSXGKAAGANRW-UHFFFAOYSA-N 0 3 319.493 3.393 20 30 DGEDHN Cc1cccc2ncc(CN[C@@H]3CCc4cc(C#N)ccc43)n21 ZINC000618742938 400680415 /nfs/dbraw/zinc/68/04/15/400680415.db2.gz UDUGHQDKXBBIMW-GOSISDBHSA-N 0 3 302.381 3.292 20 30 DGEDHN Cc1ccccc1OCCN(C)CCOc1cccc(C#N)c1 ZINC000603837002 400720592 /nfs/dbraw/zinc/72/05/92/400720592.db2.gz QNEOABVGBOHSLI-UHFFFAOYSA-N 0 3 310.397 3.256 20 30 DGEDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000162086215 400742903 /nfs/dbraw/zinc/74/29/03/400742903.db2.gz NCHVBIYXYOVNOU-MRXNPFEDSA-N 0 3 300.402 3.114 20 30 DGEDHN Cc1ccc(CN(CCC(=O)Nc2ccc(C#N)cc2)C2CC2)o1 ZINC000164992764 400750295 /nfs/dbraw/zinc/75/02/95/400750295.db2.gz HWDMWZVKYLKKJW-UHFFFAOYSA-N 0 3 323.396 3.453 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H](CC)Sc2ccccc2)CC1 ZINC000171811675 400806597 /nfs/dbraw/zinc/80/65/97/400806597.db2.gz MJZCPSGPULTMJI-QGZVFWFLSA-N 0 3 318.486 3.324 20 30 DGEDHN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)C(C)C#N ZINC000598428151 400812282 /nfs/dbraw/zinc/81/22/82/400812282.db2.gz MKHVLWYFRBNRJC-GWCFXTLKSA-N 0 3 309.207 3.046 20 30 DGEDHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598443128 400814058 /nfs/dbraw/zinc/81/40/58/400814058.db2.gz DFRBCFUQRRMBHB-XIAUJNHSSA-N 0 3 307.397 3.030 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000078605805 400814301 /nfs/dbraw/zinc/81/43/01/400814301.db2.gz GZIQWTBKBTWORS-GJZGRUSLSA-N 0 3 306.475 3.383 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000598452843 400814905 /nfs/dbraw/zinc/81/49/05/400814905.db2.gz MVEYBBRPYVFDGT-YGRLFVJLSA-N 0 3 321.218 3.492 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000054227318 400815661 /nfs/dbraw/zinc/81/56/61/400815661.db2.gz JZMOGQMRNIINRL-KXBFYZLASA-N 0 3 319.408 3.124 20 30 DGEDHN C[C@H](NC1(C2CCC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000593082823 400757251 /nfs/dbraw/zinc/75/72/51/400757251.db2.gz XSLCOGRFZZRYGK-NSHDSACASA-N 0 3 317.820 3.461 20 30 DGEDHN CN1CCN(Cc2ccc(CC#N)cc2)[C@@H](Cc2ccccc2)C1 ZINC000593088604 400758515 /nfs/dbraw/zinc/75/85/15/400758515.db2.gz ILCAPMGVRDSHHW-NRFANRHFSA-N 0 3 319.452 3.111 20 30 DGEDHN CCN(CC)[C@H](CNc1ncccc1C#N)c1cccc(OC)c1 ZINC000078261900 400782051 /nfs/dbraw/zinc/78/20/51/400782051.db2.gz IEUQOTYHQRFKNQ-GOSISDBHSA-N 0 3 324.428 3.457 20 30 DGEDHN CCN(CC)[C@H](CNc1ccc(C#N)cn1)c1cccc(OC)c1 ZINC000078366748 400793566 /nfs/dbraw/zinc/79/35/66/400793566.db2.gz UGVWIIVCYDLQMV-GOSISDBHSA-N 0 3 324.428 3.457 20 30 DGEDHN CC#CCN(CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000181233733 400888134 /nfs/dbraw/zinc/88/81/34/400888134.db2.gz GBCBJORTSQKWMV-UHFFFAOYSA-N 0 3 311.429 3.197 20 30 DGEDHN C=CCNC(=O)CN[C@H](CCc1ccccc1)c1ccccc1 ZINC000180381267 400882754 /nfs/dbraw/zinc/88/27/54/400882754.db2.gz LFXRJJPVZHPTBS-LJQANCHMSA-N 0 3 308.425 3.252 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000172385413 400824251 /nfs/dbraw/zinc/82/42/51/400824251.db2.gz OXIUSNKYNMWJPP-HUUCEWRRSA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000078973512 400837328 /nfs/dbraw/zinc/83/73/28/400837328.db2.gz CEBRDAWCPYPVOL-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CCS[C@H](c2ccccc2)C1 ZINC000598593491 400838959 /nfs/dbraw/zinc/83/89/59/400838959.db2.gz UGLNRLHACYMOPC-HOTGVXAUSA-N 0 3 304.459 3.077 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000598599802 400841824 /nfs/dbraw/zinc/84/18/24/400841824.db2.gz FLCZJRZSNCYDPO-ZDUSSCGKSA-N 0 3 308.372 3.234 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000598613095 400844553 /nfs/dbraw/zinc/84/45/53/400844553.db2.gz DMVFCKLKYFALMK-QWHCGFSZSA-N 0 3 318.383 3.342 20 30 DGEDHN COc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1Cl ZINC000598622836 400845773 /nfs/dbraw/zinc/84/57/73/400845773.db2.gz RVAGIRFSXZMUOD-ZDUSSCGKSA-N 0 3 310.825 3.081 20 30 DGEDHN N#Cc1ccc(CNCCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000174602689 400860326 /nfs/dbraw/zinc/86/03/26/400860326.db2.gz UYUTWPDTYDMWNN-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C(F)(F)F)cc1 ZINC000598699696 400860753 /nfs/dbraw/zinc/86/07/53/400860753.db2.gz HVPKKKJHQWXLLR-CYBMUJFWSA-N 0 3 300.324 3.096 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccccc1OC1CCCC1 ZINC000598701589 400861112 /nfs/dbraw/zinc/86/11/12/400861112.db2.gz XPYVDRDZTUWNIS-INIZCTEOSA-N 0 3 316.445 3.398 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(Cl)c1Cl ZINC000598713948 400863919 /nfs/dbraw/zinc/86/39/19/400863919.db2.gz FHSHJSLXZALBTQ-NSHDSACASA-N 0 3 301.217 3.384 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNC[C@H](c1ccccc1)C(F)(F)F ZINC000598725644 400866686 /nfs/dbraw/zinc/86/66/86/400866686.db2.gz YHXOYQOLNNZKDB-UONOGXRCSA-N 0 3 314.351 3.223 20 30 DGEDHN C=CCNC(=O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000181506136 400889030 /nfs/dbraw/zinc/88/90/30/400889030.db2.gz JJLMNJMQPNPBGN-HNNXBMFYSA-N 0 3 314.351 3.294 20 30 DGEDHN CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)cc1 ZINC000181686504 400889948 /nfs/dbraw/zinc/88/99/48/400889948.db2.gz DYXIAGAZCHZCSF-DOTOQJQBSA-N 0 3 301.434 3.044 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cn3)c(C)c2)CC1 ZINC000055743383 400890042 /nfs/dbraw/zinc/89/00/42/400890042.db2.gz ZEFTZSDVWTXSSK-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000593708307 400897489 /nfs/dbraw/zinc/89/74/89/400897489.db2.gz SMDCMPQLOPZHFA-FUHWJXTLSA-N 0 3 315.461 3.154 20 30 DGEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1Cl ZINC000619748415 400898270 /nfs/dbraw/zinc/89/82/70/400898270.db2.gz KOMHFVAKTSBCBI-UHFFFAOYSA-N 0 3 323.787 3.287 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)[C@H](C#N)CC)N(CC)CC)cc1 ZINC000593724915 400899077 /nfs/dbraw/zinc/89/90/77/400899077.db2.gz BGTSEGGMGFCPOG-WMZOPIPTSA-N 0 3 315.461 3.298 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2ccccc2)CCCC1 ZINC000183540869 400901150 /nfs/dbraw/zinc/90/11/50/400901150.db2.gz VBLRCKOGGCMRBF-INIZCTEOSA-N 0 3 313.445 3.054 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000183344708 400901172 /nfs/dbraw/zinc/90/11/72/400901172.db2.gz UCNKRNBERZRWCB-YQQAZPJKSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000183996930 400901878 /nfs/dbraw/zinc/90/18/78/400901878.db2.gz UWOFMQZVUHLJOT-IAGOWNOFSA-N 0 3 322.452 3.487 20 30 DGEDHN CN1CCC(n2ncc3cc(-c4cccc(C#N)c4)cnc32)CC1 ZINC000598931495 400909012 /nfs/dbraw/zinc/90/90/12/400909012.db2.gz ZGOUXMVHOTUYKL-UHFFFAOYSA-N 0 3 317.396 3.237 20 30 DGEDHN C[C@H](N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(C)CC1 ZINC000192617643 400915903 /nfs/dbraw/zinc/91/59/03/400915903.db2.gz BENUIJJCVCRTLQ-WMLDXEAASA-N 0 3 311.429 3.174 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000594124491 400996186 /nfs/dbraw/zinc/99/61/86/400996186.db2.gz XEUPTQZNEWOFMC-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ncccc3C#N)c(C)c2)CC1 ZINC000057681884 401017698 /nfs/dbraw/zinc/01/76/98/401017698.db2.gz RCUWOQJZSQIOMR-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN CCC(C)(C)N1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000594068915 400972963 /nfs/dbraw/zinc/97/29/63/400972963.db2.gz AQXMZQUMCOWVAY-UHFFFAOYSA-N 0 3 314.433 3.205 20 30 DGEDHN N#CC1(C[C@@H](O)CNC(c2ccccc2)c2ccccc2)CC1 ZINC000599312220 401018251 /nfs/dbraw/zinc/01/82/51/401018251.db2.gz SLEUBMYSQKNQMU-GOSISDBHSA-N 0 3 306.409 3.420 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000057155606 400977146 /nfs/dbraw/zinc/97/71/46/400977146.db2.gz GWZISMOUDOZRMT-IAGOWNOFSA-N 0 3 304.478 3.053 20 30 DGEDHN Cc1ccccc1C(=O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000633703297 401065917 /nfs/dbraw/zinc/06/59/17/401065917.db2.gz SKUBCQMORAIWGS-KRWDZBQOSA-N 0 3 320.392 3.067 20 30 DGEDHN CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000081523202 401073336 /nfs/dbraw/zinc/07/33/36/401073336.db2.gz MXKOPSSBZYDLEU-RBUKOAKNSA-N 0 3 319.408 3.362 20 30 DGEDHN CC(C)CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1F ZINC000594457682 401074981 /nfs/dbraw/zinc/07/49/81/401074981.db2.gz DBOWWCNLZLMBKP-OAHLLOKOSA-N 0 3 321.396 3.210 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000081534684 401075773 /nfs/dbraw/zinc/07/57/73/401075773.db2.gz SXHRSYUURUNJQF-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN CCOc1ccccc1[C@@H](CC)NC[C@H](O)CC1(C#N)CC1 ZINC000599350038 401029307 /nfs/dbraw/zinc/02/93/07/401029307.db2.gz NDMDCDXJWBBYCW-GDBMZVCRSA-N 0 3 302.418 3.181 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C ZINC000594232886 401030540 /nfs/dbraw/zinc/03/05/40/401030540.db2.gz XPAFVBLBIBXSQN-OAHLLOKOSA-N 0 3 321.424 3.437 20 30 DGEDHN CC(C)c1ccc(C(C)(C)NCC(=O)NC2(C#N)CCC2)cc1 ZINC000615226066 401035161 /nfs/dbraw/zinc/03/51/61/401035161.db2.gz IMFIWVHEMSZJPB-UHFFFAOYSA-N 0 3 313.445 3.197 20 30 DGEDHN CN(CCOc1ccc(F)cc1)CCOc1ccc(C#N)cc1 ZINC000057951615 401036980 /nfs/dbraw/zinc/03/69/80/401036980.db2.gz CNWNEWANADWOCW-UHFFFAOYSA-N 0 3 314.360 3.087 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599677799 401110074 /nfs/dbraw/zinc/11/00/74/401110074.db2.gz LPVKYTSQQCGLLA-IIBYNOLFSA-N 0 3 320.436 3.275 20 30 DGEDHN C/C=C/C[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599691930 401118662 /nfs/dbraw/zinc/11/86/62/401118662.db2.gz VCUFDVDEJGTYGV-FYFHTKEFSA-N 0 3 305.466 3.108 20 30 DGEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)c(C#N)cc1[N+](=O)[O-] ZINC000594596979 401122281 /nfs/dbraw/zinc/12/22/81/401122281.db2.gz BRPFSFRQSHYBOO-GOEBONIOSA-N 0 3 314.389 3.204 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000599770069 401136810 /nfs/dbraw/zinc/13/68/10/401136810.db2.gz FIKKAUZDUQKNAW-GOEBONIOSA-N 0 3 301.434 3.124 20 30 DGEDHN CCc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000060851171 401137582 /nfs/dbraw/zinc/13/75/82/401137582.db2.gz YAZRBVBZDBFNKY-OAHLLOKOSA-N 0 3 308.385 3.057 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1CC1CCCCC1 ZINC000060893006 401138815 /nfs/dbraw/zinc/13/88/15/401138815.db2.gz NDBFXKBKSIEDJS-HKUYNNGSSA-N 0 3 319.493 3.476 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1 ZINC000061001707 401143202 /nfs/dbraw/zinc/14/32/02/401143202.db2.gz NSLOWYVSZIETQJ-IBGZPJMESA-N 0 3 324.424 3.210 20 30 DGEDHN Cc1cccc([C@@H](NCC(=O)N[C@](C)(C#N)C2CC2)C(C)C)c1 ZINC000599627217 401095485 /nfs/dbraw/zinc/09/54/85/401095485.db2.gz KDUGZWBSKWJDKI-RBUKOAKNSA-N 0 3 313.445 3.090 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cc(C)ccc1C ZINC000599640657 401100395 /nfs/dbraw/zinc/10/03/95/401100395.db2.gz LXYNPHNFYFVMMN-DOTOQJQBSA-N 0 3 301.434 3.105 20 30 DGEDHN Cc1ccc([C@@H](C)CN2CCN(c3cnccc3C#N)CC2)cc1 ZINC000600161637 401200766 /nfs/dbraw/zinc/20/07/66/401200766.db2.gz KHKDZMRQHIFWGH-KRWDZBQOSA-N 0 3 320.440 3.187 20 30 DGEDHN C=CCCSCCNCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000594959912 401208486 /nfs/dbraw/zinc/20/84/86/401208486.db2.gz FTEFBBRSACXSNJ-UHFFFAOYSA-N 0 3 317.458 3.484 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c1 ZINC000594963874 401211497 /nfs/dbraw/zinc/21/14/97/401211497.db2.gz KYWCBAIANYVMCR-CEQIKUNHSA-N 0 3 307.459 3.031 20 30 DGEDHN CO[C@@]1(C)C[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000594996045 401222125 /nfs/dbraw/zinc/22/21/25/401222125.db2.gz QYGSNKBICSIPPY-UXHICEINSA-N 0 3 322.408 3.404 20 30 DGEDHN Cc1ccc([C@H](C)CN2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000600110753 401181847 /nfs/dbraw/zinc/18/18/47/401181847.db2.gz CJTBZWBRIYXNSA-QGZVFWFLSA-N 0 3 320.440 3.187 20 30 DGEDHN COC[C@H](C)Oc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000594914701 401186596 /nfs/dbraw/zinc/18/65/96/401186596.db2.gz JMQMSGIIPKHVJI-HNNXBMFYSA-N 0 3 310.397 3.262 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccncc1 ZINC000600391246 401244397 /nfs/dbraw/zinc/24/43/97/401244397.db2.gz QOZVEEOVERHZMC-QAPCUYQASA-N 0 3 307.397 3.074 20 30 DGEDHN C=C(C)COc1cc(CNCCc2nccs2)ccc1OC ZINC000065276401 401262049 /nfs/dbraw/zinc/26/20/49/401262049.db2.gz IOLLDUQLERZGNQ-UHFFFAOYSA-N 0 3 318.442 3.439 20 30 DGEDHN C=CCOc1c(Cl)cc(CN(C)C[C@@H](C)OC)cc1OC ZINC000628276193 401566045 /nfs/dbraw/zinc/56/60/45/401566045.db2.gz VTLBMQOLQZNDCT-GFCCVEGCSA-N 0 3 313.825 3.380 20 30 DGEDHN COCC1(C#N)CCN(C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000342834437 292208124 /nfs/dbraw/zinc/20/81/24/292208124.db2.gz CGGCUSLRWGOVCM-HNNXBMFYSA-N 0 3 302.418 3.051 20 30 DGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333176495 533676254 /nfs/dbraw/zinc/67/62/54/533676254.db2.gz LNZRPSVWQJGJJR-DNVCBOLYSA-N 0 3 317.477 3.087 20 30 DGEDHN C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268820253 298287576 /nfs/dbraw/zinc/28/75/76/298287576.db2.gz RPMITDVNMHTFHK-CVEARBPZSA-N 0 3 313.445 3.390 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1cc(C#N)ccc1F)C(C)C ZINC000186716729 165056937 /nfs/dbraw/zinc/05/69/37/165056937.db2.gz YJIABCGAKXBZHA-KRWDZBQOSA-N 0 3 306.381 3.155 20 30 DGEDHN N#Cc1csc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189601082 165169839 /nfs/dbraw/zinc/16/98/39/165169839.db2.gz YIEZFRRUKZTLHL-YPMHNXCESA-N 0 3 318.364 3.193 20 30 DGEDHN Cn1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)cc1C#N ZINC000191253144 165237276 /nfs/dbraw/zinc/23/72/76/165237276.db2.gz DCJWSGPGWROEIW-UHFFFAOYSA-N 0 3 319.412 3.153 20 30 DGEDHN C[C@@H](O)[C@@](C)(CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000191712169 165266987 /nfs/dbraw/zinc/26/69/87/165266987.db2.gz MQEUTXJOERRTGF-RDTXWAMCSA-N 0 3 314.454 3.339 20 30 DGEDHN N#Cc1ccc(CN(CCCCO)Cc2cccc(F)c2)cc1 ZINC000171632737 432154365 /nfs/dbraw/zinc/15/43/65/432154365.db2.gz IELAJDLIPNPCNG-UHFFFAOYSA-N 0 3 312.388 3.472 20 30 DGEDHN CN1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000269263232 432155409 /nfs/dbraw/zinc/15/54/09/432155409.db2.gz AWEZSLARTDCACF-UHFFFAOYSA-N 0 3 300.793 3.266 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cc(C)sc2C)CC1 ZINC000171712163 432163419 /nfs/dbraw/zinc/16/34/19/432163419.db2.gz FQOSQZIDIGZTIV-CYBMUJFWSA-N 0 3 321.490 3.376 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(CSCC)cc2)CC1 ZINC000171715647 432163980 /nfs/dbraw/zinc/16/39/80/432163980.db2.gz DYUHGPKRFMDADH-UHFFFAOYSA-N 0 3 318.486 3.320 20 30 DGEDHN CCN(CC)[C@H](CNCc1ccc(C#N)cc1F)c1ccco1 ZINC000269428643 432172091 /nfs/dbraw/zinc/17/20/91/432172091.db2.gz ONVQLMQHZYZESP-QGZVFWFLSA-N 0 3 315.392 3.463 20 30 DGEDHN CC(C)(C#N)CCCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190522291 432166707 /nfs/dbraw/zinc/16/67/07/432166707.db2.gz WWKIFVRFOUHAIV-UHFFFAOYSA-N 0 3 305.397 3.394 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(SC)cc2)CC1 ZINC000171740160 432166852 /nfs/dbraw/zinc/16/68/52/432166852.db2.gz FUMPQVCQAINFPW-UHFFFAOYSA-N 0 3 305.447 3.180 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000171740014 432167228 /nfs/dbraw/zinc/16/72/28/432167228.db2.gz GUWABNZAJXLBMS-UHFFFAOYSA-N 0 3 301.434 3.384 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(OC)c2C)CC1 ZINC000171737598 432167538 /nfs/dbraw/zinc/16/75/38/432167538.db2.gz WWJWLWDBZJDCPD-UHFFFAOYSA-N 0 3 317.433 3.084 20 30 DGEDHN N#Cc1ccc(CNC[C@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000269426807 432172833 /nfs/dbraw/zinc/17/28/33/432172833.db2.gz NZNHTNFCXRKPDI-MRXNPFEDSA-N 0 3 309.388 3.313 20 30 DGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000190608992 432175173 /nfs/dbraw/zinc/17/51/73/432175173.db2.gz KZAKAAWNBWSHMV-KXBFYZLASA-N 0 3 319.408 3.010 20 30 DGEDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000269686681 432197459 /nfs/dbraw/zinc/19/74/59/432197459.db2.gz VJVVJIROMJTDBN-LJQANCHMSA-N 0 3 324.424 3.362 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@]2(CC)CO)ccc1OC ZINC000191010246 432211080 /nfs/dbraw/zinc/21/10/80/432211080.db2.gz NDVZWJQZXIPKMF-LJQANCHMSA-N 0 3 319.445 3.387 20 30 DGEDHN C[C@H](C[C@H](O)c1ccco1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127788455 227005262 /nfs/dbraw/zinc/00/52/62/227005262.db2.gz IETKIFSPNDGETI-BBPFYFEFSA-N 0 3 310.397 3.305 20 30 DGEDHN Cc1ccc(OC2CCN(CCCSCC#N)CC2)cc1 ZINC000173895633 228286376 /nfs/dbraw/zinc/28/63/76/228286376.db2.gz LAZUAFKOIHPGLZ-UHFFFAOYSA-N 0 3 304.459 3.485 20 30 DGEDHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181998135 228365527 /nfs/dbraw/zinc/36/55/27/228365527.db2.gz MTZQNJNSQJJJHI-BEFAXECRSA-N 0 3 310.397 3.282 20 30 DGEDHN Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(OCCN(C)C)c1 ZINC000185748078 228397622 /nfs/dbraw/zinc/39/76/22/228397622.db2.gz UNJDBSNSTBHSPF-HOTGVXAUSA-N 0 3 301.434 3.430 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000185869194 228399244 /nfs/dbraw/zinc/39/92/44/228399244.db2.gz ZGHSBBZRNVQIAU-VXGBXAGGSA-N 0 3 313.323 3.151 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000247382137 228625729 /nfs/dbraw/zinc/62/57/29/228625729.db2.gz PWBADESSHSNGMG-IKGGRYGDSA-N 0 3 311.429 3.054 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000331624396 229032741 /nfs/dbraw/zinc/03/27/41/229032741.db2.gz SLSPCAFRKSHMHS-JTQLQIEISA-N 0 3 317.776 3.347 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1 ZINC000332417732 229035198 /nfs/dbraw/zinc/03/51/98/229035198.db2.gz VKWCOOJWESMGCG-CXAGYDPISA-N 0 3 315.392 3.168 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000337552313 229050060 /nfs/dbraw/zinc/05/00/60/229050060.db2.gz HBNFUDZZQXGPCL-NSHDSACASA-N 0 3 321.218 3.315 20 30 DGEDHN COCCN(CCOc1ccc(F)cc1)CCC(C)(C)C#N ZINC000345716504 229155327 /nfs/dbraw/zinc/15/53/27/229155327.db2.gz STOBHMBSNVFXDB-UHFFFAOYSA-N 0 3 308.397 3.093 20 30 DGEDHN CC(C#N)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000345808453 229157282 /nfs/dbraw/zinc/15/72/82/229157282.db2.gz BTFILJSHSBBLET-OAHLLOKOSA-N 0 3 308.381 3.179 20 30 DGEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OC1CCCC1 ZINC000345813518 229157364 /nfs/dbraw/zinc/15/73/64/229157364.db2.gz JTURPIRIVVDRRN-CHWSQXEVSA-N 0 3 316.401 3.353 20 30 DGEDHN N#CCc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000346184904 229165371 /nfs/dbraw/zinc/16/53/71/229165371.db2.gz GESDGLPJKBQIBA-MRXNPFEDSA-N 0 3 308.385 3.003 20 30 DGEDHN COc1ccccc1Oc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000347094673 229181928 /nfs/dbraw/zinc/18/19/28/229181928.db2.gz CINBLABLWKQRMR-ZDUSSCGKSA-N 0 3 310.353 3.263 20 30 DGEDHN COc1ccccc1Oc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000347094672 229182671 /nfs/dbraw/zinc/18/26/71/229182671.db2.gz CINBLABLWKQRMR-CYBMUJFWSA-N 0 3 310.353 3.263 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000347962933 229195721 /nfs/dbraw/zinc/19/57/21/229195721.db2.gz TVNQHXPANJOFDY-KOLCDFICSA-N 0 3 313.184 3.133 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000348231509 229199978 /nfs/dbraw/zinc/19/99/78/229199978.db2.gz OLXZOVACWUJCTO-NVXWUHKLSA-N 0 3 319.364 3.027 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)c1ccc(Cl)c(C#N)n1 ZINC000413454859 230229498 /nfs/dbraw/zinc/22/94/98/230229498.db2.gz NMXRJESBUVNCOC-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN CN1CCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000194710153 263818942 /nfs/dbraw/zinc/81/89/42/263818942.db2.gz APQZNVOJMCRHRN-MRXNPFEDSA-N 0 3 319.408 3.049 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cccc(C#N)n1 ZINC000346678345 264078804 /nfs/dbraw/zinc/07/88/04/264078804.db2.gz XJNNPNOZOURTFS-JKSUJKDBSA-N 0 3 306.413 3.052 20 30 DGEDHN CC(C)(CO)[C@H](NCc1cccc(C#N)c1)c1cccs1 ZINC000347708314 264270869 /nfs/dbraw/zinc/27/08/69/264270869.db2.gz PHTCKBKLVJUULB-MRXNPFEDSA-N 0 3 300.427 3.469 20 30 DGEDHN CN(C)[C@H](CNc1c(C#N)cnc2ccccc21)c1ccsc1 ZINC000359674158 270004340 /nfs/dbraw/zinc/00/43/40/270004340.db2.gz CMCINZNEVZHXFE-QGZVFWFLSA-N 0 3 322.437 3.305 20 30 DGEDHN CCN(CC1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000361481830 270004665 /nfs/dbraw/zinc/00/46/65/270004665.db2.gz RGEJIKCWTCVRJQ-SFHVURJKSA-N 0 3 311.429 3.176 20 30 DGEDHN CCN(CC1CCC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000361482918 270004830 /nfs/dbraw/zinc/00/48/30/270004830.db2.gz ZAFUVEXARKVOBX-GFCCVEGCSA-N 0 3 303.406 3.217 20 30 DGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(NC(N)=O)cc1 ZINC000353262902 265367651 /nfs/dbraw/zinc/36/76/51/265367651.db2.gz DWIAJRBXCBEDLN-SGTLLEGYSA-N 0 3 320.396 3.387 20 30 DGEDHN CCN(C(=O)CN1[C@H](C)CC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000355406430 266093472 /nfs/dbraw/zinc/09/34/72/266093472.db2.gz BNWSVCGIMGRXJU-OAGGEKHMSA-N 0 3 313.445 3.341 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)CCOc2ccc(C#N)cc2)C1(C)C ZINC000354425228 266291653 /nfs/dbraw/zinc/29/16/53/266291653.db2.gz BCBKQNRXWYEDDD-IAGOWNOFSA-N 0 3 302.418 3.072 20 30 DGEDHN CC[C@@H](C)CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000351590455 266354264 /nfs/dbraw/zinc/35/42/64/266354264.db2.gz UWLWAHPZMRKZLA-MRXNPFEDSA-N 0 3 315.461 3.275 20 30 DGEDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000358608513 266367656 /nfs/dbraw/zinc/36/76/56/266367656.db2.gz HOYJKBDAJVCDTH-NEPJUHHUSA-N 0 3 305.447 3.457 20 30 DGEDHN CC[C@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000348191479 266399957 /nfs/dbraw/zinc/39/99/57/266399957.db2.gz GXFODLIUOFIYBC-LJQANCHMSA-N 0 3 324.424 3.340 20 30 DGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCOc2ccccc2C#N)C1 ZINC000364103403 267083528 /nfs/dbraw/zinc/08/35/28/267083528.db2.gz QWLPDOJDWCGNSS-QAPCUYQASA-N 0 3 307.397 3.415 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000371730675 267208595 /nfs/dbraw/zinc/20/85/95/267208595.db2.gz XWYZJXRPJAMNEG-QAPCUYQASA-N 0 3 311.429 3.096 20 30 DGEDHN CC[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000506437150 267211119 /nfs/dbraw/zinc/21/11/19/267211119.db2.gz ACHIUGVSFXVUIR-GOSISDBHSA-N 0 3 320.440 3.269 20 30 DGEDHN Cc1cc(CNCc2ccc(C[S@](C)=O)cc2)ccc1C#N ZINC000353122150 267326653 /nfs/dbraw/zinc/32/66/53/267326653.db2.gz FJJODNJFWUPGLS-QFIPXVFZSA-N 0 3 312.438 3.035 20 30 DGEDHN Cc1cccc(CN(CCN(C)C)Cc2ccc(C#N)s2)c1 ZINC000349314211 267468332 /nfs/dbraw/zinc/46/83/32/267468332.db2.gz HSESJOXUDFDXNJ-UHFFFAOYSA-N 0 3 313.470 3.492 20 30 DGEDHN N#Cc1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000350289117 268074485 /nfs/dbraw/zinc/07/44/85/268074485.db2.gz QKKSKFQZSZGWIB-UHFFFAOYSA-N 0 3 305.721 3.045 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)s1 ZINC000366575059 268076366 /nfs/dbraw/zinc/07/63/66/268076366.db2.gz VLRUSZDAXBHWAV-LBPRGKRZSA-N 0 3 301.390 3.127 20 30 DGEDHN Cn1cc(C[C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)cn1 ZINC000525886677 268129902 /nfs/dbraw/zinc/12/99/02/268129902.db2.gz PZLKYCXZSLINSN-CQSZACIVSA-N 0 3 314.820 3.010 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnn2ccccc12 ZINC000353920601 268219348 /nfs/dbraw/zinc/21/93/48/268219348.db2.gz NFBRMPVEXCSCDF-SFHVURJKSA-N 0 3 302.381 3.373 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367402654 268282914 /nfs/dbraw/zinc/28/29/14/268282914.db2.gz LITFUHZTBPKDRR-DLBZAZTESA-N 0 3 314.429 3.076 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000270412915 432243514 /nfs/dbraw/zinc/24/35/14/432243514.db2.gz XZJNTBANYKWXGG-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C=CCC1(C(=O)NCCCN(C)Cc2ccccc2)CCC1 ZINC000191312674 432248139 /nfs/dbraw/zinc/24/81/39/432248139.db2.gz XVZZEWBHZMZEPY-UHFFFAOYSA-N 0 3 300.446 3.371 20 30 DGEDHN N#CC(C(=O)c1cncc(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000151537555 432254493 /nfs/dbraw/zinc/25/44/93/432254493.db2.gz GHSVCHBAVRNEAG-NSHDSACASA-N 0 3 309.222 3.125 20 30 DGEDHN CC1=CCC[C@@H](C)[C@@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000443408512 273596307 /nfs/dbraw/zinc/59/63/07/273596307.db2.gz KXQMKUMCGHUNQR-SJLPKXTDSA-N 0 3 310.445 3.068 20 30 DGEDHN COc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1C#N ZINC000269705824 274108362 /nfs/dbraw/zinc/10/83/62/274108362.db2.gz NTWYPYFKPZHEBK-FQEVSTJZSA-N 0 3 322.408 3.313 20 30 DGEDHN N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@H](N2CC=CC2)C1 ZINC000266257827 274930164 /nfs/dbraw/zinc/93/01/64/274930164.db2.gz OLJZYDWZNUZXAV-HNNXBMFYSA-N 0 3 324.815 3.210 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376956364 275378765 /nfs/dbraw/zinc/37/87/65/275378765.db2.gz RKURONDFFBJBKP-SFHVURJKSA-N 0 3 312.457 3.064 20 30 DGEDHN C#CCCOc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000093864106 275379500 /nfs/dbraw/zinc/37/95/00/275379500.db2.gz FGNVEKHHOHGABS-IBGZPJMESA-N 0 3 323.440 3.332 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C=Nn1cnc2ccccc21 ZINC000496862543 275519271 /nfs/dbraw/zinc/51/92/71/275519271.db2.gz IBWQZDBDYLEYMV-CYBMUJFWSA-N 0 3 314.389 3.270 20 30 DGEDHN CC(C)(C)c1ccccc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000331348421 275537003 /nfs/dbraw/zinc/53/70/03/275537003.db2.gz MZXWKKUHEOBJGZ-HNNXBMFYSA-N 0 3 318.461 3.136 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C#N)c(N)n2)CC1 ZINC000519608023 429469558 /nfs/dbraw/zinc/46/95/58/429469558.db2.gz HNAGRZHGXVKZKV-AWEZNQCLSA-N 0 3 321.428 3.173 20 30 DGEDHN N#Cc1nc(NC[C@@H]2CCN2C2CCCC2)ccc1C(F)(F)F ZINC000528212243 429861452 /nfs/dbraw/zinc/86/14/52/429861452.db2.gz SATUUQDTILTSBJ-LBPRGKRZSA-N 0 3 324.350 3.401 20 30 DGEDHN C=CCCN(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441028120 276884823 /nfs/dbraw/zinc/88/48/23/276884823.db2.gz DKOYPUVMEIAUFG-UHFFFAOYSA-N 0 3 307.482 3.250 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000117026046 276906819 /nfs/dbraw/zinc/90/68/19/276906819.db2.gz ACNUPQBUFYQZJQ-ZIAGYGMSSA-N 0 3 307.463 3.149 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000495796716 277194040 /nfs/dbraw/zinc/19/40/40/277194040.db2.gz XVPCWFHZLYLTNO-DAYGRLMNSA-N 0 3 319.449 3.012 20 30 DGEDHN C[C@@H](CC(=O)N1CCCCCC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268820255 277558761 /nfs/dbraw/zinc/55/87/61/277558761.db2.gz RPMITDVNMHTFHK-HOTGVXAUSA-N 0 3 313.445 3.390 20 30 DGEDHN C=CC[C@@H]1N(C(=O)NC[C@@H](N)c2ccccc2)CCCC1(C)C ZINC000418426343 277883007 /nfs/dbraw/zinc/88/30/07/277883007.db2.gz JRCDMGWCHSIZFM-SJORKVTESA-N 0 3 315.461 3.463 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329721582 278032762 /nfs/dbraw/zinc/03/27/62/278032762.db2.gz NCFVDVALHRJWCI-VNQPRFMTSA-N 0 3 324.428 3.059 20 30 DGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329721582 278032765 /nfs/dbraw/zinc/03/27/65/278032765.db2.gz NCFVDVALHRJWCI-VNQPRFMTSA-N 0 3 324.428 3.059 20 30 DGEDHN CS[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1N1CCCC1 ZINC000445596633 278167862 /nfs/dbraw/zinc/16/78/62/278167862.db2.gz NORPNNCVZXBMCP-HOTGVXAUSA-N 0 3 321.877 3.228 20 30 DGEDHN C[C@@H](CN1CCCCC1)Nc1cc(C(F)(F)F)cnc1C#N ZINC000413091856 278254084 /nfs/dbraw/zinc/25/40/84/278254084.db2.gz LDEVDZOGPVRZQD-NSHDSACASA-N 0 3 312.339 3.258 20 30 DGEDHN C[C@@H](Cc1cnccn1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000453157626 278298973 /nfs/dbraw/zinc/29/89/73/278298973.db2.gz ZLCVYDGEIDYXKC-ZDUSSCGKSA-N 0 3 319.330 3.068 20 30 DGEDHN CC1CCN([C@@H](CNc2nccnc2C#N)c2ccccc2)CC1 ZINC000301184377 278550199 /nfs/dbraw/zinc/55/01/99/278550199.db2.gz ONOZOWAERKUNEH-SFHVURJKSA-N 0 3 321.428 3.233 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(C#N)cc1 ZINC000223328578 279340269 /nfs/dbraw/zinc/34/02/69/279340269.db2.gz QFYSULZSHPHNAF-CHWSQXEVSA-N 0 3 303.406 3.122 20 30 DGEDHN C=CCNC(=O)[C@H](C)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000069165208 431167977 /nfs/dbraw/zinc/16/79/77/431167977.db2.gz SZDBBBMJXVLUOQ-GJZGRUSLSA-N 0 3 315.461 3.149 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000068991293 431152639 /nfs/dbraw/zinc/15/26/39/431152639.db2.gz QMOFQRKXTMEUJC-OAHLLOKOSA-N 0 3 313.376 3.357 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 ZINC000111257450 431205988 /nfs/dbraw/zinc/20/59/88/431205988.db2.gz JORHDWCIOJERST-HNNXBMFYSA-N 0 3 316.445 3.113 20 30 DGEDHN CCN(CCC#N)C(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000112699147 431296290 /nfs/dbraw/zinc/29/62/90/431296290.db2.gz QZIJEBFXIADVOE-SFHVURJKSA-N 0 3 301.434 3.078 20 30 DGEDHN N#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCCC1 ZINC000072937470 431357940 /nfs/dbraw/zinc/35/79/40/431357940.db2.gz IKCRWOWFYBRCMX-UHFFFAOYSA-N 0 3 319.408 3.051 20 30 DGEDHN Cc1cc(C)cc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c1 ZINC000073649440 431377029 /nfs/dbraw/zinc/37/70/29/431377029.db2.gz NOFPNVGFJSCAOV-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN N#CCSCCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000074989732 431448152 /nfs/dbraw/zinc/44/81/52/431448152.db2.gz JGNOLWUJEUJSQC-KRWDZBQOSA-N 0 3 322.449 3.454 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2cccs2)CC1 ZINC000115372842 431451229 /nfs/dbraw/zinc/45/12/29/431451229.db2.gz JYXVPUMEEVIPKA-UHFFFAOYSA-N 0 3 306.475 3.182 20 30 DGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000075768486 431496436 /nfs/dbraw/zinc/49/64/36/431496436.db2.gz MLEOGUZDBOKXDN-ZBFHGGJFSA-N 0 3 308.385 3.373 20 30 DGEDHN C=CC[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116960512 431540664 /nfs/dbraw/zinc/54/06/64/431540664.db2.gz PQJVUSRUNQJGHQ-CVEARBPZSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000116941343 431541589 /nfs/dbraw/zinc/54/15/89/431541589.db2.gz KXVFESOQCZFNQC-DZGCQCFKSA-N 0 3 309.479 3.395 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000117026035 431546132 /nfs/dbraw/zinc/54/61/32/431546132.db2.gz ACNUPQBUFYQZJQ-KBPBESRZSA-N 0 3 307.463 3.149 20 30 DGEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCCC1(C#N)CCOCC1 ZINC000337259651 280095397 /nfs/dbraw/zinc/09/53/97/280095397.db2.gz VMYAOCYVZUKANL-STQMWFEESA-N 0 3 304.356 3.360 20 30 DGEDHN C[C@]1(CO)CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000472624709 280160847 /nfs/dbraw/zinc/16/08/47/280160847.db2.gz RQLXBOAFILJCCT-JKSUJKDBSA-N 0 3 311.347 3.198 20 30 DGEDHN CC(C)(CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCCCC1 ZINC000077497823 431601788 /nfs/dbraw/zinc/60/17/88/431601788.db2.gz OAZGUDZZYFXEBV-UHFFFAOYSA-N 0 3 318.396 3.083 20 30 DGEDHN Cc1nc(C[C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000118396117 431603831 /nfs/dbraw/zinc/60/38/31/431603831.db2.gz CAZDSSCFGOEDGH-BBRMVZONSA-N 0 3 310.401 3.265 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000117884132 431582023 /nfs/dbraw/zinc/58/20/23/431582023.db2.gz OEQCLKVFVKFGJX-UHFFFAOYSA-N 0 3 308.372 3.079 20 30 DGEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(C#N)c1 ZINC000077383183 431591156 /nfs/dbraw/zinc/59/11/56/431591156.db2.gz NGKHWDQBKYEMSS-UHFFFAOYSA-N 0 3 321.424 3.282 20 30 DGEDHN CN(C)[C@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000078248275 431649657 /nfs/dbraw/zinc/64/96/57/431649657.db2.gz JUUJZLWPVWYDAN-GOSISDBHSA-N 0 3 322.412 3.177 20 30 DGEDHN N#CC(C(=O)c1ccccc1OC[C@@H]1CCCO1)c1ccccn1 ZINC000078732629 431702206 /nfs/dbraw/zinc/70/22/06/431702206.db2.gz WDBWXWQGKLPTIN-HOCLYGCPSA-N 0 3 322.364 3.129 20 30 DGEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000078759262 431704527 /nfs/dbraw/zinc/70/45/27/431704527.db2.gz BIKTXOVOPWVGSC-MRXNPFEDSA-N 0 3 319.493 3.477 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H]1CCN(c2ccccc2)C1 ZINC000078911547 431709945 /nfs/dbraw/zinc/70/99/45/431709945.db2.gz CDJYDODJEVNENL-GOSISDBHSA-N 0 3 320.436 3.315 20 30 DGEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000120250221 431724602 /nfs/dbraw/zinc/72/46/02/431724602.db2.gz QECZQCSKXASTFQ-DOTOQJQBSA-N 0 3 319.836 3.189 20 30 DGEDHN C=CCN(C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000121184190 431750643 /nfs/dbraw/zinc/75/06/43/431750643.db2.gz BSZVBGHXERUMJV-GOSISDBHSA-N 0 3 314.454 3.462 20 30 DGEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000120100174 431721915 /nfs/dbraw/zinc/72/19/15/431721915.db2.gz KLYUQIMOMIODLS-UHFFFAOYSA-N 0 3 300.446 3.079 20 30 DGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)C2(C#N)CCC2)CC1 ZINC000121505256 431795177 /nfs/dbraw/zinc/79/51/77/431795177.db2.gz LWAQXPMITRUMRO-HNNXBMFYSA-N 0 3 311.429 3.022 20 30 DGEDHN CCCCn1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000121872490 431809056 /nfs/dbraw/zinc/80/90/56/431809056.db2.gz LMYGKAFNJGRSBO-CYBMUJFWSA-N 0 3 321.384 3.358 20 30 DGEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(C#N)cs2)C1 ZINC000084188682 431817129 /nfs/dbraw/zinc/81/71/29/431817129.db2.gz CLQMXWQEHXWUQT-CYBMUJFWSA-N 0 3 319.474 3.250 20 30 DGEDHN C=C[C@H](CC(=O)N1[C@@H]2CC[C@H]1CN(CC)CC2)c1ccccc1 ZINC000122851918 431845768 /nfs/dbraw/zinc/84/57/68/431845768.db2.gz ONGBVKQZEPSBIQ-QRQLOZEOSA-N 0 3 312.457 3.432 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000123296411 431860499 /nfs/dbraw/zinc/86/04/99/431860499.db2.gz SLGXQJGFIFCPNR-UHFFFAOYSA-N 0 3 322.518 3.233 20 30 DGEDHN CC(C)Oc1cc(CN(CCCSCC#N)C2CC2)ccn1 ZINC000122379465 431830239 /nfs/dbraw/zinc/83/02/39/431830239.db2.gz XGDCPPKTSIYGGX-UHFFFAOYSA-N 0 3 319.474 3.480 20 30 DGEDHN Cc1ccc([C@H]2C[C@@H](C)CCN2CCC(=O)N(C)CCC#N)o1 ZINC000092798521 431912174 /nfs/dbraw/zinc/91/21/74/431912174.db2.gz ZPXTZQGZGQCSDJ-GOEBONIOSA-N 0 3 317.433 3.123 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@@H](COC)C2)cc1OC ZINC000093337797 431914424 /nfs/dbraw/zinc/91/44/24/431914424.db2.gz FENJQZUIHWDAAQ-MRXNPFEDSA-N 0 3 305.418 3.118 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(C#N)c2)C1 ZINC000090201287 431890451 /nfs/dbraw/zinc/89/04/51/431890451.db2.gz SOUADENKLDJQGU-INIZCTEOSA-N 0 3 315.417 3.047 20 30 DGEDHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046835899 431901255 /nfs/dbraw/zinc/90/12/55/431901255.db2.gz UMEXUNASVRWSQE-IBGZPJMESA-N 0 3 324.424 3.047 20 30 DGEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000048813802 431933268 /nfs/dbraw/zinc/93/32/68/431933268.db2.gz RKBBFURGGUHYBU-ZDUSSCGKSA-N 0 3 320.352 3.235 20 30 DGEDHN Cn1cc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191556213 432278115 /nfs/dbraw/zinc/27/81/15/432278115.db2.gz QTMGHELGYIGKHP-IRXDYDNUSA-N 0 3 315.804 3.170 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248356932 432281505 /nfs/dbraw/zinc/28/15/05/432281505.db2.gz OXRPNGWAPAJKSP-ILXRZTDVSA-N 0 3 306.475 3.382 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@@H](C)C1 ZINC000248583142 432303644 /nfs/dbraw/zinc/30/36/44/432303644.db2.gz WOTJPILYLXGAPU-IAGOWNOFSA-N 0 3 313.445 3.444 20 30 DGEDHN CC[C@@H](C)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000183140697 432261303 /nfs/dbraw/zinc/26/13/03/432261303.db2.gz TVCSZYALBCHBQD-HZPDHXFCSA-N 0 3 315.461 3.131 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1F ZINC000248911100 432329705 /nfs/dbraw/zinc/32/97/05/432329705.db2.gz YCMLQHGKHAXYCD-QFBILLFUSA-N 0 3 313.420 3.146 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@@H](COC)C2)ccc1OC ZINC000271185190 432345543 /nfs/dbraw/zinc/34/55/43/432345543.db2.gz NGHICYFTTFEYMK-MRXNPFEDSA-N 0 3 305.418 3.118 20 30 DGEDHN C[C@H](NCc1ccccc1N1CCOCC1)c1cccc(C#N)c1 ZINC000174429499 432346622 /nfs/dbraw/zinc/34/66/22/432346622.db2.gz YYLJFPJPTRDFGR-INIZCTEOSA-N 0 3 321.424 3.246 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000271195440 432349972 /nfs/dbraw/zinc/34/99/72/432349972.db2.gz OFMPHTPJUMZLMU-UHFFFAOYSA-N 0 3 309.413 3.191 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000271385357 432386027 /nfs/dbraw/zinc/38/60/27/432386027.db2.gz STICYDZQHPJPBB-IEBWSBKVSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN(CCC(=O)Nc1cc(Cl)ccc1OC)C1CC1 ZINC000271404977 432389916 /nfs/dbraw/zinc/38/99/16/432389916.db2.gz MDWHFHMHSPSPGZ-UHFFFAOYSA-N 0 3 308.809 3.328 20 30 DGEDHN COc1cc2c(cc1CN[C@@H]1CCC[C@H](C#N)C1)O[C@H](C)C2 ZINC000192647288 432397029 /nfs/dbraw/zinc/39/70/29/432397029.db2.gz VHIOTGRWBRYKTH-DVOMOZLQSA-N 0 3 300.402 3.191 20 30 DGEDHN C=CCOc1cccc(CNC[C@H]2COC3(CCCC3)O2)c1 ZINC000271454945 432399208 /nfs/dbraw/zinc/39/92/08/432399208.db2.gz SHHRPPKWGDVSPY-KRWDZBQOSA-N 0 3 303.402 3.027 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000153358379 432402008 /nfs/dbraw/zinc/40/20/08/432402008.db2.gz GSCRRLXXIRTWHH-FXAWDEMLSA-N 0 3 323.436 3.343 20 30 DGEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000271486670 432405866 /nfs/dbraw/zinc/40/58/66/432405866.db2.gz IVHDUBDACKCOIR-LIRRHRJNSA-N 0 3 310.397 3.433 20 30 DGEDHN COc1ccc(CNC[C@@]2(C)CCCO2)cc1OCCCC#N ZINC000152891213 432364757 /nfs/dbraw/zinc/36/47/57/432364757.db2.gz FQCOCNMEXCHDFC-GOSISDBHSA-N 0 3 318.417 3.036 20 30 DGEDHN C#CCCCC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192362772 432365783 /nfs/dbraw/zinc/36/57/83/432365783.db2.gz BXEGLYHRQUTPIX-LJQANCHMSA-N 0 3 312.457 3.161 20 30 DGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(N2CCOC2=O)cc1 ZINC000272037820 432434641 /nfs/dbraw/zinc/43/46/41/432434641.db2.gz QMMMFBTXQCMMMN-CYBMUJFWSA-N 0 3 301.390 3.234 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1C)C1CC1 ZINC000272041396 432436209 /nfs/dbraw/zinc/43/62/09/432436209.db2.gz OPRJNGFAPMSEAI-KUHUBIRLSA-N 0 3 313.445 3.044 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000193070631 432445467 /nfs/dbraw/zinc/44/54/67/432445467.db2.gz IXJQOESQKFWJHQ-AADNMHCOSA-N 0 3 306.356 3.467 20 30 DGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(N2CCOC2=O)cc1 ZINC000192743450 432409096 /nfs/dbraw/zinc/40/90/96/432409096.db2.gz WOZACINQMQQLHB-OFQRWUPVSA-N 0 3 313.401 3.376 20 30 DGEDHN C=C[C@H](CC(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000153525043 432417778 /nfs/dbraw/zinc/41/77/78/432417778.db2.gz SVZNQXXPJWWFEV-QGZVFWFLSA-N 0 3 300.446 3.194 20 30 DGEDHN N#Cc1c[nH]c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1 ZINC000175274661 432418072 /nfs/dbraw/zinc/41/80/72/432418072.db2.gz QPSRWWRQAMPZQD-UHFFFAOYSA-N 0 3 308.385 3.125 20 30 DGEDHN CCc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000192853133 432421585 /nfs/dbraw/zinc/42/15/85/432421585.db2.gz WTZLIWMWEWTQAJ-CQSZACIVSA-N 0 3 307.397 3.410 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000192849563 432422127 /nfs/dbraw/zinc/42/21/27/432422127.db2.gz LDFKBZCKPAQZET-STQMWFEESA-N 0 3 308.385 3.461 20 30 DGEDHN C=CCC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000271758039 432425319 /nfs/dbraw/zinc/42/53/19/432425319.db2.gz UYHPLSCAQPPKBP-WMZOPIPTSA-N 0 3 313.445 3.292 20 30 DGEDHN C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000271822007 432426789 /nfs/dbraw/zinc/42/67/89/432426789.db2.gz NYFSZPRUPDDRAW-ACJLOTCBSA-N 0 3 314.360 3.112 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccsc2)cc1 ZINC000154461926 432498813 /nfs/dbraw/zinc/49/88/13/432498813.db2.gz VPOPWPLQEYLMMH-CXAGYDPISA-N 0 3 301.411 3.144 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000186064453 432556410 /nfs/dbraw/zinc/55/64/10/432556410.db2.gz RUYHGHQIIUGCQO-CYBMUJFWSA-N 0 3 322.399 3.057 20 30 DGEDHN CSc1ccccc1NC(=O)CCN1CCC(C)(C#N)CC1 ZINC000272501043 432514147 /nfs/dbraw/zinc/51/41/47/432514147.db2.gz DQBZKTDOXPYXJM-UHFFFAOYSA-N 0 3 317.458 3.363 20 30 DGEDHN C=CCCC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000263666892 432564696 /nfs/dbraw/zinc/56/46/96/432564696.db2.gz LDCOISLYEHQKLK-QGZVFWFLSA-N 0 3 304.434 3.161 20 30 DGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(O[C@H]2CCOC2)c1 ZINC000185857417 432539511 /nfs/dbraw/zinc/53/95/11/432539511.db2.gz YMGJIIUCYATJGM-SZMVWBNQSA-N 0 3 314.429 3.335 20 30 DGEDHN COCCCOc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185865736 432539555 /nfs/dbraw/zinc/53/95/55/432539555.db2.gz OIYUCCHLENQSEQ-RDJZCZTQSA-N 0 3 302.418 3.274 20 30 DGEDHN Cc1ccc([C@H](CN[C@H]2CCC[C@H](C#N)C2)N2CCCC2)o1 ZINC000185883007 432542029 /nfs/dbraw/zinc/54/20/29/432542029.db2.gz QXTOUFHDYVWILY-ULQDDVLXSA-N 0 3 301.434 3.397 20 30 DGEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)s1 ZINC000273533077 432607994 /nfs/dbraw/zinc/60/79/94/432607994.db2.gz TXUABHMXQPQCAU-LLVKDONJSA-N 0 3 313.854 3.204 20 30 DGEDHN N#CCCCCN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000264072037 432611062 /nfs/dbraw/zinc/61/10/62/432611062.db2.gz BEXMFEQCEUSDQJ-IBGZPJMESA-N 0 3 321.424 3.328 20 30 DGEDHN N#Cc1ccc(N2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC000263722576 432569415 /nfs/dbraw/zinc/56/94/15/432569415.db2.gz WPVVUNKRXYBIEP-UHFFFAOYSA-N 0 3 307.397 3.022 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000186252049 432574319 /nfs/dbraw/zinc/57/43/19/432574319.db2.gz OHWRHETYLBWXPB-MRXNPFEDSA-N 0 3 300.402 3.030 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000186308989 432580429 /nfs/dbraw/zinc/58/04/29/432580429.db2.gz DZPPRZSFCKPGAX-GOSISDBHSA-N 0 3 323.444 3.419 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H]1CCCO[C@H]1CC(C)C ZINC000186400260 432591250 /nfs/dbraw/zinc/59/12/50/432591250.db2.gz XCBHNELWLIKHIA-WMZOPIPTSA-N 0 3 302.418 3.250 20 30 DGEDHN CC#CCCN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000156613719 432601927 /nfs/dbraw/zinc/60/19/27/432601927.db2.gz FACYHBZREADDKC-QGZVFWFLSA-N 0 3 313.445 3.242 20 30 DGEDHN CC#CCCN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000156617724 432602360 /nfs/dbraw/zinc/60/23/60/432602360.db2.gz PRRWYUBSAVLWQE-OAHLLOKOSA-N 0 3 317.408 3.073 20 30 DGEDHN C=CCN1CCC(Nc2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000273841714 432632403 /nfs/dbraw/zinc/63/24/03/432632403.db2.gz HWROJGUAUAAGDT-UHFFFAOYSA-N 0 3 305.378 3.056 20 30 DGEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccccc1C(C)(C)C#N ZINC000274068640 432633576 /nfs/dbraw/zinc/63/35/76/432633576.db2.gz RAKRHIIXSBHQDU-UONOGXRCSA-N 0 3 302.418 3.165 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1/N=C/c1cccc(O)c1O ZINC000274068240 432634847 /nfs/dbraw/zinc/63/48/47/432634847.db2.gz KDNLIMRUJBSAJC-LAPODJAJSA-N 0 3 310.397 3.037 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccc2C)CC1 ZINC000264341435 432637549 /nfs/dbraw/zinc/63/75/49/432637549.db2.gz CHMHFUPPTJMTLQ-UHFFFAOYSA-N 0 3 305.397 3.296 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccccc2)CC1 ZINC000264421439 432644704 /nfs/dbraw/zinc/64/47/04/432644704.db2.gz RHYYYPOJWVZTEZ-QGZVFWFLSA-N 0 3 301.434 3.087 20 30 DGEDHN CN(Cc1ccc(OCC#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000264549318 432657435 /nfs/dbraw/zinc/65/74/35/432657435.db2.gz KPQPMVXZSPSWHH-FQEVSTJZSA-N 0 3 322.408 3.335 20 30 DGEDHN C#CCCOc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000265009516 432665461 /nfs/dbraw/zinc/66/54/61/432665461.db2.gz ADOHOFQBWWBROD-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C#CCCOc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000265009516 432665466 /nfs/dbraw/zinc/66/54/66/432665466.db2.gz ADOHOFQBWWBROD-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000274636513 432692566 /nfs/dbraw/zinc/69/25/66/432692566.db2.gz JBXQGVLZGUEKGB-NEPJUHHUSA-N 0 3 321.396 3.261 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000187986759 432696349 /nfs/dbraw/zinc/69/63/49/432696349.db2.gz LKTZIPAEDHVDJI-MAUKXSAKSA-N 0 3 315.461 3.161 20 30 DGEDHN CC[C@H](CC#N)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000227200242 432709378 /nfs/dbraw/zinc/70/93/78/432709378.db2.gz SPGQBWOGQARRAU-FFHGMXDLSA-N 0 3 307.438 3.199 20 30 DGEDHN C#CC[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccccc1 ZINC000274842710 432714657 /nfs/dbraw/zinc/71/46/57/432714657.db2.gz WKFXEEPBOOXPOV-LJQANCHMSA-N 0 3 318.420 3.450 20 30 DGEDHN C#CCCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000274897271 432718612 /nfs/dbraw/zinc/71/86/12/432718612.db2.gz OCYNZESNTURMHH-IEBWSBKVSA-N 0 3 310.441 3.323 20 30 DGEDHN CC[C@H](C)CN(CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000160520786 432724154 /nfs/dbraw/zinc/72/41/54/432724154.db2.gz BWHJPWBUHDUUQP-GXTWGEPZSA-N 0 3 305.447 3.093 20 30 DGEDHN CC[C@@H](C)CN(CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000160520670 432725274 /nfs/dbraw/zinc/72/52/74/432725274.db2.gz BWHJPWBUHDUUQP-TZMCWYRMSA-N 0 3 305.447 3.093 20 30 DGEDHN C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000265197389 432674993 /nfs/dbraw/zinc/67/49/93/432674993.db2.gz PEWJRBAVAROFFN-WFASDCNBSA-N 0 3 311.410 3.076 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cn(C)nc1C)C(C)C ZINC000177931455 432675498 /nfs/dbraw/zinc/67/54/98/432675498.db2.gz XORJNPZHMNEZLP-MAUKXSAKSA-N 0 3 304.482 3.078 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000177991314 432681353 /nfs/dbraw/zinc/68/13/53/432681353.db2.gz MRKPHRLAQBTHCE-FQEVSTJZSA-N 0 3 320.392 3.087 20 30 DGEDHN Cc1csc(CNC2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000265312311 432688237 /nfs/dbraw/zinc/68/82/37/432688237.db2.gz IXVUAZPACMWVOV-UHFFFAOYSA-N 0 3 312.442 3.082 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000178540806 432750006 /nfs/dbraw/zinc/75/00/06/432750006.db2.gz SPAUUJJSJBQXNQ-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@](C)(O)c2ccco2)c([O-])c1 ZINC000266001321 432751216 /nfs/dbraw/zinc/75/12/16/432751216.db2.gz OKDNJTCOJZPJBZ-LSCADSNKSA-N 0 3 316.401 3.158 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C#N)cc1 ZINC000266511493 432758481 /nfs/dbraw/zinc/75/84/81/432758481.db2.gz XMBPYOPQOMXUAM-KGLIPLIRSA-N 0 3 319.408 3.489 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000189030524 432759330 /nfs/dbraw/zinc/75/93/30/432759330.db2.gz NQJXFQLVMDCQPG-ZWKOTPCHSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCC[C@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000189093555 432763598 /nfs/dbraw/zinc/76/35/98/432763598.db2.gz RKWKVFBVZLICLC-OALUTQOASA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCC[C@H](C(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000189098583 432764220 /nfs/dbraw/zinc/76/42/20/432764220.db2.gz GRSHCXKXOBMEMT-SFHVURJKSA-N 0 3 300.446 3.337 20 30 DGEDHN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000276167805 432779321 /nfs/dbraw/zinc/77/93/21/432779321.db2.gz SASSDEUTAWOKLI-KSSFIOAISA-N 0 3 312.388 3.260 20 30 DGEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1F ZINC000161635898 432790335 /nfs/dbraw/zinc/79/03/35/432790335.db2.gz PTVIMJXRWAGXTE-AWEZNQCLSA-N 0 3 324.403 3.412 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000179002810 432794833 /nfs/dbraw/zinc/79/48/33/432794833.db2.gz RQXPKPHOYHDHSQ-OIISXLGYSA-N 0 3 300.377 3.135 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN[C@H]3CCOC3)c2)c1 ZINC000178996462 432795399 /nfs/dbraw/zinc/79/53/99/432795399.db2.gz OUWOLPUMVHZXGE-SFHVURJKSA-N 0 3 308.381 3.016 20 30 DGEDHN Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1 ZINC000161821349 432799634 /nfs/dbraw/zinc/79/96/34/432799634.db2.gz ZRJNVDFNHSYIKZ-CRAIPNDOSA-N 0 3 306.413 3.337 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000276430251 432808112 /nfs/dbraw/zinc/80/81/12/432808112.db2.gz ROAMFUPCKVHKGU-QGZVFWFLSA-N 0 3 301.434 3.041 20 30 DGEDHN C[C@H]1CN(CCCNc2c(C#N)cnc3ccccc32)CCCO1 ZINC000277629321 432865714 /nfs/dbraw/zinc/86/57/14/432865714.db2.gz MVNNYMXSDOAZEU-HNNXBMFYSA-N 0 3 324.428 3.019 20 30 DGEDHN CCC[C@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000245868065 432866501 /nfs/dbraw/zinc/86/65/01/432866501.db2.gz IYKQRQMUDBJMSA-UXHICEINSA-N 0 3 324.472 3.416 20 30 DGEDHN CCCOc1ccc(CNC(=N)Nc2cc(F)ccc2F)cn1 ZINC000288634531 432895656 /nfs/dbraw/zinc/89/56/56/432895656.db2.gz BRISFQCUUDVWTC-UHFFFAOYSA-N 0 3 320.343 3.075 20 30 DGEDHN N#Cc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000277871798 432876816 /nfs/dbraw/zinc/87/68/16/432876816.db2.gz UVBPKBQQAQSJNM-UHFFFAOYSA-N 0 3 320.436 3.375 20 30 DGEDHN C[C@@H]1CCCN(CCNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329962191 432885501 /nfs/dbraw/zinc/88/55/01/432885501.db2.gz PCBHDPGQDVKVBK-CYBMUJFWSA-N 0 3 305.422 3.369 20 30 DGEDHN CN(C)C1(CNC(=O)c2cn(C)nc2C2CCCCC2)CCC1 ZINC000329985677 432886118 /nfs/dbraw/zinc/88/61/18/432886118.db2.gz DMDUPBBVBHFICG-UHFFFAOYSA-N 0 3 318.465 3.257 20 30 DGEDHN CCN1CCC[C@@H]1CNC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000329995113 432888143 /nfs/dbraw/zinc/88/81/43/432888143.db2.gz MVIIRLIGFPAXRH-AVVWSFFYSA-N 0 3 321.465 3.353 20 30 DGEDHN CC(C)Oc1ccc([C@@H](CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000288410408 432891956 /nfs/dbraw/zinc/89/19/56/432891956.db2.gz GNVFUKJMVIILTN-GOSISDBHSA-N 0 3 324.428 3.455 20 30 DGEDHN N#Cc1cc(CN2CCN(C3CCCCC3)CC2)ccc1F ZINC000162999937 432840081 /nfs/dbraw/zinc/84/00/81/432840081.db2.gz KMLQJTDYIQZJNC-UHFFFAOYSA-N 0 3 301.409 3.148 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCC=C(C)C)CC1 ZINC000296797916 432928300 /nfs/dbraw/zinc/92/83/00/432928300.db2.gz YHGFWYVNBCRFMK-MRXNPFEDSA-N 0 3 307.482 3.461 20 30 DGEDHN C=CCCCNCc1ccc(OC)c(O)c1Br ZINC000279102640 432935466 /nfs/dbraw/zinc/93/54/66/432935466.db2.gz JJLTXPAOOABKNT-UHFFFAOYSA-N 0 3 300.196 3.219 20 30 DGEDHN COc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1OC(F)F ZINC000278604607 432898512 /nfs/dbraw/zinc/89/85/12/432898512.db2.gz MCNZBYQAUKMJJO-AAEUAGOBSA-N 0 3 310.344 3.421 20 30 DGEDHN C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(F)c1-c1nnc[n-]1 ZINC000330293203 432902468 /nfs/dbraw/zinc/90/24/68/432902468.db2.gz DNXWAMUKJQGFTQ-QWRGUYRKSA-N 0 3 317.368 3.072 20 30 DGEDHN C#Cc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000288968247 432909069 /nfs/dbraw/zinc/90/90/69/432909069.db2.gz BJTZHRJMAHPCJR-UHFFFAOYSA-N 0 3 324.468 3.138 20 30 DGEDHN C#CCCCc1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000288973355 432909566 /nfs/dbraw/zinc/90/95/66/432909566.db2.gz RADHUWROBIYFRY-AWEZNQCLSA-N 0 3 313.382 3.049 20 30 DGEDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330572276 432918273 /nfs/dbraw/zinc/91/82/73/432918273.db2.gz ONJUKAJCEHXSGD-TZMCWYRMSA-N 0 3 319.405 3.328 20 30 DGEDHN CN(C(=O)CC(C)(C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000278933443 432918678 /nfs/dbraw/zinc/91/86/78/432918678.db2.gz FJTWROHSIQDHJP-QGZVFWFLSA-N 0 3 313.445 3.049 20 30 DGEDHN CC(C)CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279902310 432997575 /nfs/dbraw/zinc/99/75/75/432997575.db2.gz DMLWTVITIYLOGD-QGZVFWFLSA-N 0 3 311.429 3.429 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289445178 432962249 /nfs/dbraw/zinc/96/22/49/432962249.db2.gz KOFOWKUYPJLUDC-GOSISDBHSA-N 0 3 321.399 3.334 20 30 DGEDHN Cc1ccccc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280141192 433005820 /nfs/dbraw/zinc/00/58/20/433005820.db2.gz ZZFBFEFAFBXFJM-LJQANCHMSA-N 0 3 317.392 3.208 20 30 DGEDHN CC[C@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332303 433035058 /nfs/dbraw/zinc/03/50/58/433035058.db2.gz JHGIBWHSCNELQJ-IEBWSBKVSA-N 0 3 309.413 3.279 20 30 DGEDHN CCN(Cc1c[nH]c2nccnc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000290432566 433050680 /nfs/dbraw/zinc/05/06/80/433050680.db2.gz NCFZTHGCYLMFQY-ZDUSSCGKSA-N 0 3 305.385 3.413 20 30 DGEDHN Cc1ccccc1CN1CCC(Nc2cccnc2C#N)CC1 ZINC000290442447 433052471 /nfs/dbraw/zinc/05/24/71/433052471.db2.gz CCRMZOMZYHXVTG-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000347491699 289236267 /nfs/dbraw/zinc/23/62/67/289236267.db2.gz FZSXHMJYXDOPSC-RNCFNFMXSA-N 0 3 321.218 3.348 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCCC3(CCCC3)C2)CC1 ZINC000446593613 433069495 /nfs/dbraw/zinc/06/94/95/433069495.db2.gz OVWBLJLUWUDDSB-UHFFFAOYSA-N 0 3 305.466 3.003 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000280532419 433073808 /nfs/dbraw/zinc/07/38/08/433073808.db2.gz SMYKBUBXDIHMCW-NONVJHHQSA-N 0 3 309.413 3.181 20 30 DGEDHN N#Cc1cccc(CCNCc2cnc(-c3ccccn3)s2)c1 ZINC000341478051 433082242 /nfs/dbraw/zinc/08/22/42/433082242.db2.gz GUCGCQLVBBNBAD-UHFFFAOYSA-N 0 3 320.421 3.409 20 30 DGEDHN CCC1(CC)CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000446727257 433092313 /nfs/dbraw/zinc/09/23/13/433092313.db2.gz BROGNCYGFUHWPK-HNNXBMFYSA-N 0 3 305.466 3.230 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000280587435 433097491 /nfs/dbraw/zinc/09/74/91/433097491.db2.gz IDSKCPOCGWHRPH-WBMJQRKESA-N 0 3 305.809 3.059 20 30 DGEDHN CCc1ccc([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000298442668 433141963 /nfs/dbraw/zinc/14/19/63/433141963.db2.gz DGDGRHDJZHURIH-OAHLLOKOSA-N 0 3 321.424 3.088 20 30 DGEDHN C=CCC[C@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000453342092 433102073 /nfs/dbraw/zinc/10/20/73/433102073.db2.gz FQCIUHXGWVVLJJ-ZIAGYGMSSA-N 0 3 321.417 3.059 20 30 DGEDHN C=CCC[C@@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000453342090 433103119 /nfs/dbraw/zinc/10/31/19/433103119.db2.gz FQCIUHXGWVVLJJ-UONOGXRCSA-N 0 3 321.417 3.059 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000453341707 433103472 /nfs/dbraw/zinc/10/34/72/433103472.db2.gz IAJHBHBPVZZVNF-VUCTXSBTSA-N 0 3 318.417 3.038 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2ccccn2)n1 ZINC000280616939 433107590 /nfs/dbraw/zinc/10/75/90/433107590.db2.gz KOBJNMQWSHQHEB-XJKSGUPXSA-N 0 3 315.442 3.276 20 30 DGEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(C#N)oc2C)C1 ZINC000280616915 433108001 /nfs/dbraw/zinc/10/80/01/433108001.db2.gz KNQSPLXXHKVGNZ-CQSZACIVSA-N 0 3 317.433 3.090 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2cc(Cl)ccc2n1C ZINC000280621838 433110158 /nfs/dbraw/zinc/11/01/58/433110158.db2.gz LCOACISLXOZPSC-SJKOYZFVSA-N 0 3 319.836 3.298 20 30 DGEDHN C=CCCC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000290615423 433118421 /nfs/dbraw/zinc/11/84/21/433118421.db2.gz SAXKMXXVADXVIU-KRWDZBQOSA-N 0 3 304.434 3.159 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccc(C)cn1)CCc1ccccc1 ZINC000447167291 433168110 /nfs/dbraw/zinc/16/81/10/433168110.db2.gz HYGMIFRUKBTGJX-UHFFFAOYSA-N 0 3 323.440 3.449 20 30 DGEDHN CN(CCC1CCOCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000341648799 433187600 /nfs/dbraw/zinc/18/76/00/433187600.db2.gz UGRNGFNLBRCHMD-UHFFFAOYSA-N 0 3 324.371 3.408 20 30 DGEDHN C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000341649012 433187711 /nfs/dbraw/zinc/18/77/11/433187711.db2.gz YORYERBNRPNKLY-KDOFPFPSSA-N 0 3 321.424 3.041 20 30 DGEDHN C=CCn1cc(CNC[C@@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000425349085 433189945 /nfs/dbraw/zinc/18/99/45/433189945.db2.gz FSYVZHZZMSEJKD-GFCCVEGCSA-N 0 3 324.350 3.376 20 30 DGEDHN C=C(C)Cn1c(N2CCN([C@H](C)CC)CC2)nnc1C(C)(C)C ZINC000453455829 433195447 /nfs/dbraw/zinc/19/54/47/433195447.db2.gz SZHICVJIMUGFMS-OAHLLOKOSA-N 0 3 319.497 3.072 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453451952 433195520 /nfs/dbraw/zinc/19/55/20/433195520.db2.gz LKMKYZCQYMFARB-CVEARBPZSA-N 0 3 319.497 3.288 20 30 DGEDHN C=CCN1CC[C@H](N(Cc2ccc(OCC)cc2)C(C)C)C1=O ZINC000337123574 433206544 /nfs/dbraw/zinc/20/65/44/433206544.db2.gz CGDCOMASYOOAMR-SFHVURJKSA-N 0 3 316.445 3.083 20 30 DGEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)cc2F)cc1C ZINC000453636226 433254648 /nfs/dbraw/zinc/25/46/48/433254648.db2.gz TWBRKJMBZFWSLH-SFHVURJKSA-N 0 3 312.388 3.007 20 30 DGEDHN CN(C(=O)CCNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000299115131 433319378 /nfs/dbraw/zinc/31/93/78/433319378.db2.gz VKLRKEUADGQRCX-UHFFFAOYSA-N 0 3 319.408 3.190 20 30 DGEDHN CN1CCc2ncnc(Oc3ccc(C#N)c4ccccc34)c2C1 ZINC000338827983 433322178 /nfs/dbraw/zinc/32/21/78/433322178.db2.gz JXXLYQQDNDAWNT-UHFFFAOYSA-N 0 3 316.364 3.282 20 30 DGEDHN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C(C)C#N ZINC000414012418 433352209 /nfs/dbraw/zinc/35/22/09/433352209.db2.gz FTTNUROTUOZTAF-KBPBESRZSA-N 0 3 315.417 3.029 20 30 DGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)(F)F ZINC000413970672 433331518 /nfs/dbraw/zinc/33/15/18/433331518.db2.gz AIJLVWNZCKHVNM-OCCSQVGLSA-N 0 3 312.335 3.464 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000413979532 433334715 /nfs/dbraw/zinc/33/47/15/433334715.db2.gz BLMJJZAGFVQWOE-JFIYKMOQSA-N 0 3 300.446 3.163 20 30 DGEDHN CC1(C)CN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000342048513 433433361 /nfs/dbraw/zinc/43/33/61/433433361.db2.gz YVRXMZDEJSPZFN-UHFFFAOYSA-N 0 3 306.413 3.054 20 30 DGEDHN N#CC(C(=O)c1ccc(COC(F)(F)F)cc1)c1ccncn1 ZINC000361792498 433390337 /nfs/dbraw/zinc/39/03/37/433390337.db2.gz NELJRFMIQUKVIT-GFCCVEGCSA-N 0 3 321.258 3.003 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000454373751 433396161 /nfs/dbraw/zinc/39/61/61/433396161.db2.gz RJUBWHLQRMWBEX-RDJZCZTQSA-N 0 3 315.461 3.333 20 30 DGEDHN C=CCCC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000361807083 433400569 /nfs/dbraw/zinc/40/05/69/433400569.db2.gz SISWXFDAVSCKDW-SFHVURJKSA-N 0 3 312.457 3.466 20 30 DGEDHN COc1ccc(CN2CCCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000301107830 433418105 /nfs/dbraw/zinc/41/81/05/433418105.db2.gz VDURGJNPWVMZPC-UHFFFAOYSA-N 0 3 321.424 3.279 20 30 DGEDHN CN(CCCC1(C#N)CCOCC1)Cc1cc(Cl)cn1C ZINC000281901022 433421748 /nfs/dbraw/zinc/42/17/48/433421748.db2.gz FPZDFIRXNJKPDX-UHFFFAOYSA-N 0 3 309.841 3.211 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000454460357 433437159 /nfs/dbraw/zinc/43/71/59/433437159.db2.gz IDNDEOFCPFEUED-FUHWJXTLSA-N 0 3 307.482 3.151 20 30 DGEDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000292049183 433439064 /nfs/dbraw/zinc/43/90/64/433439064.db2.gz YZCQAMAYUVVLSN-CJNGLKHVSA-N 0 3 323.371 3.153 20 30 DGEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000414219874 433467680 /nfs/dbraw/zinc/46/76/80/433467680.db2.gz HZFCVDRFAAQTRX-AQNXPRMDSA-N 0 3 304.393 3.448 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](O)CC23CCC3)cc1OC ZINC000421373965 433521664 /nfs/dbraw/zinc/52/16/64/433521664.db2.gz OJNBCCUPSQDAKY-INIZCTEOSA-N 0 3 317.429 3.139 20 30 DGEDHN C=C[C@@H]1CCCCN1Cc1ccc(OCc2noc(C)n2)cc1 ZINC000426549804 433529719 /nfs/dbraw/zinc/52/97/19/433529719.db2.gz UOEGCBNUVFJZIT-MRXNPFEDSA-N 0 3 313.401 3.498 20 30 DGEDHN N#Cc1ccnc(NCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000342194791 433531244 /nfs/dbraw/zinc/53/12/44/433531244.db2.gz BEBGAZRNORLWOZ-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN([C@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000292200951 433504664 /nfs/dbraw/zinc/50/46/64/433504664.db2.gz NUJQPTXTFARWEZ-WMZOPIPTSA-N 0 3 323.371 3.233 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000292387762 433560634 /nfs/dbraw/zinc/56/06/34/433560634.db2.gz WYENSCBUBHBYFA-UHFFFAOYSA-N 0 3 314.473 3.412 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000456006982 433561728 /nfs/dbraw/zinc/56/17/28/433561728.db2.gz QYURSYKENRAQDO-UKRRQHHQSA-N 0 3 314.433 3.109 20 30 DGEDHN COCC[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000456290073 433571391 /nfs/dbraw/zinc/57/13/91/433571391.db2.gz NIYXSJBLBJIYTP-GXFFZTMASA-N 0 3 314.307 3.059 20 30 DGEDHN CC(C)[C@@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000292499337 433571606 /nfs/dbraw/zinc/57/16/06/433571606.db2.gz RZRWEPRYVQSVKK-ROUUACIJSA-N 0 3 321.424 3.278 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282268585 433548136 /nfs/dbraw/zinc/54/81/36/433548136.db2.gz AJBWFXYLFDXPOW-RDTXWAMCSA-N 0 3 309.413 3.160 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)NCC2CCC(C#N)CC2)c1 ZINC000282791537 433633147 /nfs/dbraw/zinc/63/31/47/433633147.db2.gz SFNMQTTZVIDWGQ-UHFFFAOYSA-N 0 3 314.433 3.200 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)cn1 ZINC000301607659 433634903 /nfs/dbraw/zinc/63/49/03/433634903.db2.gz ZIPFCIDGQBWARG-MAUKXSAKSA-N 0 3 306.413 3.276 20 30 DGEDHN C=CCC(F)(F)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000293164505 433637671 /nfs/dbraw/zinc/63/76/71/433637671.db2.gz NEIHHEQNLAXKMR-UHFFFAOYSA-N 0 3 323.343 3.345 20 30 DGEDHN CC(C)(NCCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000293178432 433646530 /nfs/dbraw/zinc/64/65/30/433646530.db2.gz SKWAWBZCZFBCLC-UHFFFAOYSA-N 0 3 300.324 3.460 20 30 DGEDHN CN(C)[C@H](CNc1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000301528074 433594773 /nfs/dbraw/zinc/59/47/73/433594773.db2.gz GSFHPZBVKOGEMQ-MRXNPFEDSA-N 0 3 300.793 3.321 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCC2(CC1)OCCCO2 ZINC000293133758 433627340 /nfs/dbraw/zinc/62/73/40/433627340.db2.gz SYRFFBCZXROWFD-UHFFFAOYSA-N 0 3 314.429 3.217 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000293199990 433652662 /nfs/dbraw/zinc/65/26/62/433652662.db2.gz BPPFWDTVSDYAOC-HOCLYGCPSA-N 0 3 322.399 3.225 20 30 DGEDHN COc1cc(CN2CC3(CCOCC3)[C@H]2C(C)C)ccc1C#N ZINC000414538179 433702188 /nfs/dbraw/zinc/70/21/88/433702188.db2.gz LQTCAYSUGJGPGZ-GOSISDBHSA-N 0 3 314.429 3.204 20 30 DGEDHN C=CCc1cc(CNC(C)(C)COC(C)C)cc(OC)c1O ZINC000414550155 433711477 /nfs/dbraw/zinc/71/14/77/433711477.db2.gz MVMMFWATVSGPTO-UHFFFAOYSA-N 0 3 307.434 3.423 20 30 DGEDHN N#Cc1ccc2nc(N3CCN(C4CCCC4)CC3)ccc2c1 ZINC000301814836 433735918 /nfs/dbraw/zinc/73/59/18/433735918.db2.gz IJXJBPAFMRPIDE-UHFFFAOYSA-N 0 3 306.413 3.171 20 30 DGEDHN CCCCOC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000362451949 433722165 /nfs/dbraw/zinc/72/21/65/433722165.db2.gz MEZYQAQXUNWODR-UHFFFAOYSA-N 0 3 302.418 3.218 20 30 DGEDHN N#Cc1c(CN(CCO)CC2CCCCC2)cn2ccccc12 ZINC000362586218 433774914 /nfs/dbraw/zinc/77/49/14/433774914.db2.gz AECODDCETWAJBZ-UHFFFAOYSA-N 0 3 311.429 3.186 20 30 DGEDHN CC[C@H](C)N[C@@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000343265513 433791033 /nfs/dbraw/zinc/79/10/33/433791033.db2.gz NXKKQEQCAIEOLK-AAEUAGOBSA-N 0 3 318.808 3.741 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000343265522 433792600 /nfs/dbraw/zinc/79/26/00/433792600.db2.gz NXKKQEQCAIEOLK-YPMHNXCESA-N 0 3 318.808 3.741 20 30 DGEDHN C=CCOc1ccc(CN2CCNC[C@@](C)(F)C2)cc1Cl ZINC000414772083 433826042 /nfs/dbraw/zinc/82/60/42/433826042.db2.gz SLIUJMBRXLPSAM-MRXNPFEDSA-N 0 3 312.816 3.038 20 30 DGEDHN CC(C#N)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000344390871 433861808 /nfs/dbraw/zinc/86/18/08/433861808.db2.gz SRMLHKAHIKCQBQ-HZMBPMFUSA-N 0 3 302.424 3.443 20 30 DGEDHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456934224 433897420 /nfs/dbraw/zinc/89/74/20/433897420.db2.gz KMUSEOJOUBAJCI-KZNAEPCWSA-N 0 3 314.429 3.223 20 30 DGEDHN N#Cc1ccccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000340051972 433898628 /nfs/dbraw/zinc/89/86/28/433898628.db2.gz YLMHMENKXPNURQ-IBGZPJMESA-N 0 3 322.408 3.228 20 30 DGEDHN COCCN(CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000357184995 433902120 /nfs/dbraw/zinc/90/21/20/433902120.db2.gz UQTJBPVNUDIIQF-UHFFFAOYSA-N 0 3 324.424 3.476 20 30 DGEDHN C=CCc1cc(CN[C@]2(CCC)CCOC2)cc(OC)c1O ZINC000285343739 433923140 /nfs/dbraw/zinc/92/31/40/433923140.db2.gz AJOAJFQVMSNKSC-GOSISDBHSA-N 0 3 305.418 3.178 20 30 DGEDHN COc1ccccc1COC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293917081 433925065 /nfs/dbraw/zinc/92/50/65/433925065.db2.gz XMKCFDSQQLTOKV-NVXWUHKLSA-N 0 3 314.429 3.368 20 30 DGEDHN COc1ccccc1COC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293917086 433926096 /nfs/dbraw/zinc/92/60/96/433926096.db2.gz XMKCFDSQQLTOKV-RDJZCZTQSA-N 0 3 314.429 3.368 20 30 DGEDHN CSc1ccc([C@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000293925835 433928550 /nfs/dbraw/zinc/92/85/50/433928550.db2.gz FAYIPPHJDWFSHK-KRWDZBQOSA-N 0 3 312.442 3.390 20 30 DGEDHN CSc1ccc([C@H](CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000293980888 433947265 /nfs/dbraw/zinc/94/72/65/433947265.db2.gz IKOVDIAFDBGMEP-INIZCTEOSA-N 0 3 312.442 3.390 20 30 DGEDHN CC(C)(C#N)c1ccc(C(=O)NCCN2CCCC2(C)C)cc1 ZINC000457062314 433960481 /nfs/dbraw/zinc/96/04/81/433960481.db2.gz UQDDWCGHVUWLHM-UHFFFAOYSA-N 0 3 313.445 3.092 20 30 DGEDHN CC(C)(C)OCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285477156 433960871 /nfs/dbraw/zinc/96/08/71/433960871.db2.gz LEEWJUJPVVVBMP-UHFFFAOYSA-N 0 3 320.408 3.356 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000363101749 433971618 /nfs/dbraw/zinc/97/16/18/433971618.db2.gz CJWJTMULIKPLER-INIZCTEOSA-N 0 3 311.454 3.326 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCC(C)(C)C#N)CC[C@@H]2C1 ZINC000377757040 433983507 /nfs/dbraw/zinc/98/35/07/433983507.db2.gz CPRPYFWXYMORHI-HUUCEWRRSA-N 0 3 321.465 3.115 20 30 DGEDHN Cn1ccnc1[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000377890004 434027385 /nfs/dbraw/zinc/02/73/85/434027385.db2.gz RMQUQVAROGTXKF-QGZVFWFLSA-N 0 3 324.428 3.092 20 30 DGEDHN C=C(C)COc1cc(CN2CCC[C@@H](CO)CC2)ccc1OC ZINC000294182981 434031467 /nfs/dbraw/zinc/03/14/67/434031467.db2.gz XAEMUHPBDGBTON-MRXNPFEDSA-N 0 3 319.445 3.245 20 30 DGEDHN Cc1ccc2c(c1)CN(CCCC1(C#N)CCOCC1)CCO2 ZINC000285562857 433993991 /nfs/dbraw/zinc/99/39/91/433993991.db2.gz NGLTYYPRLYWHQX-UHFFFAOYSA-N 0 3 314.429 3.290 20 30 DGEDHN C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000450257393 434061347 /nfs/dbraw/zinc/06/13/47/434061347.db2.gz LJLDKCYJSZSYBQ-STQMWFEESA-N 0 3 302.378 3.141 20 30 DGEDHN Cc1nsc(NC2CCN(Cc3ccccc3)CC2)c1C#N ZINC000285767406 434063538 /nfs/dbraw/zinc/06/35/38/434063538.db2.gz VXCFMNFCCWLPQY-UHFFFAOYSA-N 0 3 312.442 3.400 20 30 DGEDHN C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000450257387 434063655 /nfs/dbraw/zinc/06/36/55/434063655.db2.gz LJLDKCYJSZSYBQ-CHWSQXEVSA-N 0 3 302.378 3.141 20 30 DGEDHN C=CCC1(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CCCCC1 ZINC000450266644 434066459 /nfs/dbraw/zinc/06/64/59/434066459.db2.gz SEAOXDIKCLQBPC-GJZGRUSLSA-N 0 3 310.507 3.017 20 30 DGEDHN CC[C@]1(C(C)C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457314330 434097678 /nfs/dbraw/zinc/09/76/78/434097678.db2.gz YOSZGPQVOXGYCK-ZHALLVOQSA-N 0 3 309.413 3.181 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NCCN1CCc3sccc3C1)CC2 ZINC000353384847 434098063 /nfs/dbraw/zinc/09/80/63/434098063.db2.gz LJKVLPKOPRIUIW-SFHVURJKSA-N 0 3 323.465 3.255 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285761544 434059459 /nfs/dbraw/zinc/05/94/59/434059459.db2.gz ZKCBKCOGFPMBJP-SWLSCSKDSA-N 0 3 312.335 3.399 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1occ2c1CCC2)C(C)C ZINC000352865327 434060124 /nfs/dbraw/zinc/06/01/24/434060124.db2.gz YSMXXGLRPRZQCI-QGZVFWFLSA-N 0 3 316.445 3.197 20 30 DGEDHN CN(C)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000353413252 434117434 /nfs/dbraw/zinc/11/74/34/434117434.db2.gz OZRJUXGMEUGEES-DLBZAZTESA-N 0 3 311.454 3.500 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000294652330 434126180 /nfs/dbraw/zinc/12/61/80/434126180.db2.gz HOJNYVWNHJMRAY-AWEZNQCLSA-N 0 3 306.475 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000294671595 434128716 /nfs/dbraw/zinc/12/87/16/434128716.db2.gz WBIUHYKXUXTUCI-UHFFFAOYSA-N 0 3 314.473 3.366 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000378338395 434146020 /nfs/dbraw/zinc/14/60/20/434146020.db2.gz CAWBRGHLZUPHCL-OAHLLOKOSA-N 0 3 314.429 3.368 20 30 DGEDHN C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346142274 434147173 /nfs/dbraw/zinc/14/71/73/434147173.db2.gz XHFBFPHPIKAFNA-CKFHNAJUSA-N 0 3 312.388 3.340 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294948787 434153575 /nfs/dbraw/zinc/15/35/75/434153575.db2.gz LUKYTZYSICNVLX-GOEBONIOSA-N 0 3 322.399 3.367 20 30 DGEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000346179713 434173469 /nfs/dbraw/zinc/17/34/69/434173469.db2.gz JKXWISBNSIYURP-CHWSQXEVSA-N 0 3 323.387 3.074 20 30 DGEDHN CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000286169067 434184879 /nfs/dbraw/zinc/18/48/79/434184879.db2.gz OMYXDQGDOFQAHM-NJZAAPMLSA-N 0 3 303.406 3.263 20 30 DGEDHN C[C@H](NCCN1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000346189265 434186495 /nfs/dbraw/zinc/18/64/95/434186495.db2.gz LRHYDBOTASFGHT-HNNXBMFYSA-N 0 3 323.415 3.406 20 30 DGEDHN CC(C)(C)CCN1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000340553140 434203756 /nfs/dbraw/zinc/20/37/56/434203756.db2.gz FPRUQHUVTHLQSL-UHFFFAOYSA-N 0 3 324.472 3.365 20 30 DGEDHN CC[C@H](COCC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000295119832 434214033 /nfs/dbraw/zinc/21/40/33/434214033.db2.gz NAUKDQHAXPKZGB-GFCCVEGCSA-N 0 3 304.287 3.144 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000286367279 434247672 /nfs/dbraw/zinc/24/76/72/434247672.db2.gz ACFPMBDKIZXUNN-KVSKMBFKSA-N 0 3 313.445 3.096 20 30 DGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(CCCCC2)CC1 ZINC000346675884 434258206 /nfs/dbraw/zinc/25/82/06/434258206.db2.gz JWABECVNAOQDRU-INIZCTEOSA-N 0 3 305.466 3.183 20 30 DGEDHN N#Cc1ccc(CN(C[C@H]2CCOC2)C2CC2)c(OC(F)F)c1 ZINC000437423801 434261383 /nfs/dbraw/zinc/26/13/83/434261383.db2.gz HDOFUFKPIDMABF-CYBMUJFWSA-N 0 3 322.355 3.161 20 30 DGEDHN COC(CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC ZINC000364273636 434267299 /nfs/dbraw/zinc/26/72/99/434267299.db2.gz WPNAQNATKVWNQB-CQSZACIVSA-N 0 3 310.397 3.495 20 30 DGEDHN N#Cc1cc(NCC2CCN(Cc3cccs3)CC2)ccn1 ZINC000286456664 434273998 /nfs/dbraw/zinc/27/39/98/434273998.db2.gz XPPLXUJULKXRRY-UHFFFAOYSA-N 0 3 312.442 3.339 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000286303876 434226280 /nfs/dbraw/zinc/22/62/80/434226280.db2.gz WWVGZWZHRNFKFZ-QWHCGFSZSA-N 0 3 321.380 3.301 20 30 DGEDHN N#Cc1ccccc1OCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000437516305 434278958 /nfs/dbraw/zinc/27/89/58/434278958.db2.gz PKIAFENSBIXKTN-DOTOQJQBSA-N 0 3 302.443 3.297 20 30 DGEDHN C[C@H](COCC(F)(F)F)NC1CC(C#N)(c2ccccc2)C1 ZINC000364740806 434282223 /nfs/dbraw/zinc/28/22/23/434282223.db2.gz SDVYRHPIUAJUOF-LRVUVFPRSA-N 0 3 312.335 3.167 20 30 DGEDHN CN(C)CCN(Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000340673506 434285421 /nfs/dbraw/zinc/28/54/21/434285421.db2.gz JAIRHWRIDJPCRI-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=CCC[C@@H](CC)NCc1ccncc1OC[C@H]1CCOC1 ZINC000287260222 434317761 /nfs/dbraw/zinc/31/77/61/434317761.db2.gz ILKRVBPCGLPLCA-DOTOQJQBSA-N 0 3 304.434 3.331 20 30 DGEDHN Cc1cccc(NC(=O)[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC000328845632 434318680 /nfs/dbraw/zinc/31/86/80/434318680.db2.gz QFYMRQZHDQMMKG-XHSDSOJGSA-N 0 3 312.417 3.382 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328828878 434318741 /nfs/dbraw/zinc/31/87/41/434318741.db2.gz UHWCUWWMGOMYAY-FVQBIDKESA-N 0 3 315.417 3.287 20 30 DGEDHN Cc1ccc(NC(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1F ZINC000328908756 434324188 /nfs/dbraw/zinc/32/41/88/434324188.db2.gz MINGFGNSHFCAOJ-PBHICJAKSA-N 0 3 319.380 3.209 20 30 DGEDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1Cl ZINC000328904160 434324416 /nfs/dbraw/zinc/32/44/16/434324416.db2.gz IWXDMXNDAKDVAQ-BBRMVZONSA-N 0 3 321.808 3.415 20 30 DGEDHN CN(CCNC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000450669039 434326052 /nfs/dbraw/zinc/32/60/52/434326052.db2.gz AAWNKWQPPFAINZ-UHFFFAOYSA-N 0 3 305.425 3.269 20 30 DGEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000340803513 434365093 /nfs/dbraw/zinc/36/50/93/434365093.db2.gz GPZINUVTVCXQLD-HZPDHXFCSA-N 0 3 305.466 3.182 20 30 DGEDHN CN1CCC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000329151411 434365572 /nfs/dbraw/zinc/36/55/72/434365572.db2.gz AXAZEAOZDHUJRS-HRCADAONSA-N 0 3 308.466 3.006 20 30 DGEDHN O=C(CNC(=O)CC1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000329280154 434384671 /nfs/dbraw/zinc/38/46/71/434384671.db2.gz KFGBBIMAGNBURN-CQSZACIVSA-N 0 3 307.438 3.107 20 30 DGEDHN C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1cnccn1 ZINC000358138231 434342839 /nfs/dbraw/zinc/34/28/39/434342839.db2.gz HZTHJMOLIRMCMA-ODIFPOPNSA-N 0 3 322.412 3.389 20 30 DGEDHN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C2CC2)c1 ZINC000295417190 434352635 /nfs/dbraw/zinc/35/26/35/434352635.db2.gz NDXOJGYZZPVCFB-BFUOFWGJSA-N 0 3 311.429 3.023 20 30 DGEDHN C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C1=CCN(C)CC1 ZINC000329336192 434395273 /nfs/dbraw/zinc/39/52/73/434395273.db2.gz LPLQVTFUNLJEIT-CQSZACIVSA-N 0 3 309.413 3.197 20 30 DGEDHN CCOc1ccccc1NC(=O)CCN1CCOCC2(CC2)C1 ZINC000329472223 434417037 /nfs/dbraw/zinc/41/70/37/434417037.db2.gz SEKPLBYLQHXTJN-UHFFFAOYSA-N 0 3 318.417 3.176 20 30 DGEDHN Cc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cnn1CCC(C)C ZINC000329487383 434422137 /nfs/dbraw/zinc/42/21/37/434422137.db2.gz GQVMVSIDUPPNGF-AWEZNQCLSA-N 0 3 318.465 3.193 20 30 DGEDHN Cn1cc(CN[C@@H]2CCC[C@H]2OCc2ccccc2)cc1C#N ZINC000359674989 434422953 /nfs/dbraw/zinc/42/29/53/434422953.db2.gz GOSFGYYPTNSDHJ-RTBURBONSA-N 0 3 309.413 3.124 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(F)c2C)CC1 ZINC000417534957 434425139 /nfs/dbraw/zinc/42/51/39/434425139.db2.gz IIASXOSDHHAGCY-UHFFFAOYSA-N 0 3 309.360 3.045 20 30 DGEDHN C=C(C)[C@H](NC[C@@H]1CCNC(=O)CC1)c1ccc(F)c(F)c1 ZINC000295719007 434433049 /nfs/dbraw/zinc/43/30/49/434433049.db2.gz KXOWLPKTUCSYRF-SJCJKPOMSA-N 0 3 308.372 3.088 20 30 DGEDHN Cc1c(C(=O)NC[C@@H]2CCCN2C)cnn1C1CCCCC1 ZINC000329696902 434462915 /nfs/dbraw/zinc/46/29/15/434462915.db2.gz DSGRMRKGJHJCSE-HNNXBMFYSA-N 0 3 304.438 3.096 20 30 DGEDHN CC[C@@H]1Cc2ccccc2CN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329744072 434469380 /nfs/dbraw/zinc/46/93/80/434469380.db2.gz QMMLIRPIZBUXPU-JKSUJKDBSA-N 0 3 324.428 3.018 20 30 DGEDHN CC[C@@H]1Cc2ccccc2CN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329744072 434469390 /nfs/dbraw/zinc/46/93/90/434469390.db2.gz QMMLIRPIZBUXPU-JKSUJKDBSA-N 0 3 324.428 3.018 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2(O)CCCC2)C1 ZINC000329867234 434496465 /nfs/dbraw/zinc/49/64/65/434496465.db2.gz VSLKTGQAGAZYPA-WBVHZDCISA-N 0 3 316.445 3.474 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1c[nH]c2cccnc12 ZINC000329881470 434499561 /nfs/dbraw/zinc/49/95/61/434499561.db2.gz OOZUFJZDZUECTN-CYBMUJFWSA-N 0 3 300.406 3.132 20 30 DGEDHN CC[C@H](NCCn1cnc(C#N)n1)c1ccc(Cl)cc1Cl ZINC000353988467 434559963 /nfs/dbraw/zinc/55/99/63/434559963.db2.gz VXVOOKRZMFOBHW-ZDUSSCGKSA-N 0 3 324.215 3.197 20 30 DGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2OC)C12CCC2 ZINC000296118547 434515915 /nfs/dbraw/zinc/51/59/15/434515915.db2.gz IPOOYTMVXYXNBO-IRXDYDNUSA-N 0 3 300.402 3.004 20 30 DGEDHN CCc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000348925787 434556042 /nfs/dbraw/zinc/55/60/42/434556042.db2.gz YDLZXNFSQYOQAQ-UHFFFAOYSA-N 0 3 322.456 3.079 20 30 DGEDHN O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000451429443 434569992 /nfs/dbraw/zinc/56/99/92/434569992.db2.gz XIFJTISJNVEKGR-KZNAEPCWSA-N 0 3 303.833 3.317 20 30 DGEDHN CC(C)[C@H](NCc1cccc(C#N)c1F)C1(CO)CCCC1 ZINC000459528902 434596318 /nfs/dbraw/zinc/59/63/18/434596318.db2.gz KICRFNILWHWKBR-KRWDZBQOSA-N 0 3 304.409 3.364 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459574566 434613794 /nfs/dbraw/zinc/61/37/94/434613794.db2.gz SDANKGLHGNFELN-KGLIPLIRSA-N 0 3 311.809 3.268 20 30 DGEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000459569242 434614151 /nfs/dbraw/zinc/61/41/51/434614151.db2.gz YIEQAYFAIYEQQI-LJQANCHMSA-N 0 3 314.429 3.306 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000424075540 434615042 /nfs/dbraw/zinc/61/50/42/434615042.db2.gz JMLWVLSNMSTHOO-SFHVURJKSA-N 0 3 305.381 3.217 20 30 DGEDHN CCCc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424071031 434615890 /nfs/dbraw/zinc/61/58/90/434615890.db2.gz YWNGSUTWPSISMU-QZTJIDSGSA-N 0 3 315.461 3.474 20 30 DGEDHN CCC(CC)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424091231 434619926 /nfs/dbraw/zinc/61/99/26/434619926.db2.gz NVUKWRDAOFIAHQ-DLBZAZTESA-N 0 3 301.434 3.301 20 30 DGEDHN CCC[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCCC#N)sc2C1 ZINC000424113182 434625646 /nfs/dbraw/zinc/62/56/46/434625646.db2.gz MIVISFYKEXTOHQ-NEPJUHHUSA-N 0 3 320.462 3.008 20 30 DGEDHN C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424107145 434625865 /nfs/dbraw/zinc/62/58/65/434625865.db2.gz YLSCIYPVCJFUNI-LRDDRELGSA-N 0 3 319.836 3.413 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000424112719 434626020 /nfs/dbraw/zinc/62/60/20/434626020.db2.gz KPBJTMRKDDKGIG-INIZCTEOSA-N 0 3 313.426 3.302 20 30 DGEDHN Cc1csc(-c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)n1 ZINC000424115826 434626047 /nfs/dbraw/zinc/62/60/47/434626047.db2.gz WBXOKOBESHYXHV-CQSZACIVSA-N 0 3 314.414 3.078 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000439619452 434628700 /nfs/dbraw/zinc/62/87/00/434628700.db2.gz PDTIUHINAMVTLU-LLVKDONJSA-N 0 3 312.816 3.037 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000370976423 434629051 /nfs/dbraw/zinc/62/90/51/434629051.db2.gz OYAPYUJLINPPMZ-HIFRSBDPSA-N 0 3 302.418 3.173 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000424125410 434631226 /nfs/dbraw/zinc/63/12/26/434631226.db2.gz RACPTOUBMPZGPP-HNNXBMFYSA-N 0 3 319.836 3.247 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418356451 434635448 /nfs/dbraw/zinc/63/54/48/434635448.db2.gz PYXFYPHUFFRRPF-QGZVFWFLSA-N 0 3 301.434 3.193 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)[C@H](CC)Cc2ccccc2)C1=O ZINC000410410107 434645800 /nfs/dbraw/zinc/64/58/00/434645800.db2.gz GTAYDNVTVSAFSM-QZTJIDSGSA-N 0 3 300.446 3.117 20 30 DGEDHN CC(C)O[C@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000459638601 434643422 /nfs/dbraw/zinc/64/34/22/434643422.db2.gz UFSCEOKHIVHVJN-MAEOIBBWSA-N 0 3 302.418 3.415 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000424173898 434644530 /nfs/dbraw/zinc/64/45/30/434644530.db2.gz OTULVECYCJVIQD-DLBZAZTESA-N 0 3 305.466 3.359 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000424173906 434644660 /nfs/dbraw/zinc/64/46/60/434644660.db2.gz OTULVECYCJVIQD-IAGOWNOFSA-N 0 3 305.466 3.359 20 30 DGEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418142380 434602477 /nfs/dbraw/zinc/60/24/77/434602477.db2.gz NDWNERIGJPZSKH-ZIAGYGMSSA-N 0 3 302.418 3.479 20 30 DGEDHN CN(C)c1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418144831 434603129 /nfs/dbraw/zinc/60/31/29/434603129.db2.gz LVVWAZLJRWWTRR-INIZCTEOSA-N 0 3 312.442 3.248 20 30 DGEDHN Cc1nc(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)cs1 ZINC000424065471 434611533 /nfs/dbraw/zinc/61/15/33/434611533.db2.gz LVQFJCLMYRYBTD-CQSZACIVSA-N 0 3 314.414 3.078 20 30 DGEDHN CCOC(=O)[C@H]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424318572 434693589 /nfs/dbraw/zinc/69/35/89/434693589.db2.gz CZYRLQSPRRCRRN-IHETXDGRSA-N 0 3 312.413 3.450 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000424188882 434650391 /nfs/dbraw/zinc/65/03/91/434650391.db2.gz CPPCHVXNEKVJJZ-RYRKJORJSA-N 0 3 300.402 3.026 20 30 DGEDHN N#CCCn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000424209833 434658513 /nfs/dbraw/zinc/65/85/13/434658513.db2.gz ZSWXPYNQQLLTLL-MAUKXSAKSA-N 0 3 319.412 3.246 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CCCCC1 ZINC000410584549 434659581 /nfs/dbraw/zinc/65/95/81/434659581.db2.gz AXXRJEJSWUZQNY-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN CC(=O)N1CC[C@@H](NCc2cccc(C#N)c2)c2ccccc2C1 ZINC000360675841 434665433 /nfs/dbraw/zinc/66/54/33/434665433.db2.gz YFBDGVVTRJUJRI-HXUWFJFHSA-N 0 3 319.408 3.141 20 30 DGEDHN CC[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)N(CC)CC ZINC000452648548 434668746 /nfs/dbraw/zinc/66/87/46/434668746.db2.gz RXBOVBGIZKAWND-HNNXBMFYSA-N 0 3 307.825 3.465 20 30 DGEDHN C=CCn1cc(CN[C@H](C)C2CCC(C(F)(F)F)CC2)nn1 ZINC000424300652 434685343 /nfs/dbraw/zinc/68/53/43/434685343.db2.gz YISGZCTXCRMGJJ-PNESKVBLSA-N 0 3 316.371 3.311 20 30 DGEDHN CCCN(CC(C)C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411204465 434745733 /nfs/dbraw/zinc/74/57/33/434745733.db2.gz WMVKYUNXCFAFHQ-CYBMUJFWSA-N 0 3 305.422 3.463 20 30 DGEDHN COc1cc(CNC[C@@H](C)Oc2ccc(C)cc2)ccc1C#N ZINC000440819696 434746819 /nfs/dbraw/zinc/74/68/19/434746819.db2.gz JRPDMECUJCJLBV-OAHLLOKOSA-N 0 3 310.397 3.432 20 30 DGEDHN COc1cc(CNC[C@@H](C)Oc2ccccc2C)ccc1C#N ZINC000440817068 434747275 /nfs/dbraw/zinc/74/72/75/434747275.db2.gz BNOXEFSTUAPNHJ-OAHLLOKOSA-N 0 3 310.397 3.432 20 30 DGEDHN COc1cc(CNCCOC2CCCCCC2)ccc1C#N ZINC000440825895 434748954 /nfs/dbraw/zinc/74/89/54/434748954.db2.gz XEWXIYMRIQOSJU-UHFFFAOYSA-N 0 3 302.418 3.396 20 30 DGEDHN COc1cc(CNC[C@@H](C)Oc2cccc(C)c2)ccc1C#N ZINC000440823615 434749840 /nfs/dbraw/zinc/74/98/40/434749840.db2.gz FKCHHFPGOIFESF-OAHLLOKOSA-N 0 3 310.397 3.432 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411254186 434752944 /nfs/dbraw/zinc/75/29/44/434752944.db2.gz FGLXHKPTGZMPEK-HNNXBMFYSA-N 0 3 303.450 3.006 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424426343 434725275 /nfs/dbraw/zinc/72/52/75/434725275.db2.gz MHXIMVKIJFHZSH-UHFFFAOYSA-N 0 3 313.401 3.309 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000424528689 434732758 /nfs/dbraw/zinc/73/27/58/434732758.db2.gz QYZGMZZKYUHAHL-UHFFFAOYSA-N 0 3 300.446 3.370 20 30 DGEDHN N#Cc1ccccc1CN1CCC(CCCn2ccnc2)CC1 ZINC000361059179 434781389 /nfs/dbraw/zinc/78/13/89/434781389.db2.gz FNEQHFKNBBCDCI-UHFFFAOYSA-N 0 3 308.429 3.447 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419452479 434793269 /nfs/dbraw/zinc/79/32/69/434793269.db2.gz HAUJVKNOIZXLRZ-IRXDYDNUSA-N 0 3 321.509 3.493 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000411646137 434811814 /nfs/dbraw/zinc/81/18/14/434811814.db2.gz UVWLAGPVHXAWBO-UHFFFAOYSA-N 0 3 317.408 3.420 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000411641946 434813020 /nfs/dbraw/zinc/81/30/20/434813020.db2.gz MNCFEWRCWIGQJL-OAHLLOKOSA-N 0 3 314.433 3.237 20 30 DGEDHN C[C@H]1OCC[C@@]12CN(CCC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000411665775 434814398 /nfs/dbraw/zinc/81/43/98/434814398.db2.gz HKXNHHSSYARMFR-JFIYKMOQSA-N 0 3 306.450 3.119 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cnc3ccccc3c2C)CC1 ZINC000361157733 434816217 /nfs/dbraw/zinc/81/62/17/434816217.db2.gz YCIJTAIFBKEVNG-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000411774063 434829401 /nfs/dbraw/zinc/82/94/01/434829401.db2.gz WRYYAWVLGVDJDP-VXGBXAGGSA-N 0 3 314.355 3.311 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CCCC4(CCCC4)C3)C2=O)cc1 ZINC000445864534 434831461 /nfs/dbraw/zinc/83/14/61/434831461.db2.gz WDFQGLBEHVGKEX-GOSISDBHSA-N 0 3 323.440 3.320 20 30 DGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1occc1C ZINC000412022794 434854388 /nfs/dbraw/zinc/85/43/88/434854388.db2.gz ABGRUVYVVBBTBQ-UHFFFAOYSA-N 0 3 311.385 3.310 20 30 DGEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)CCC1 ZINC000412025149 434856066 /nfs/dbraw/zinc/85/60/66/434856066.db2.gz PFLLMMJXXMMKLD-LLVKDONJSA-N 0 3 310.344 3.207 20 30 DGEDHN Fc1ccc(C#CCN2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000573409365 434895849 /nfs/dbraw/zinc/89/58/49/434895849.db2.gz UTFSBFCZUZNUKA-FQEVSTJZSA-N 0 3 320.411 3.314 20 30 DGEDHN C=CCNC(=O)CN[C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000412091593 434864939 /nfs/dbraw/zinc/86/49/39/434864939.db2.gz HHKKYZRWLUREHK-FQEVSTJZSA-N 0 3 308.425 3.036 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)CCCC#N)N(CC)CC)cc1 ZINC000573034772 434869779 /nfs/dbraw/zinc/86/97/79/434869779.db2.gz MNWTUVCPRPLUNW-SFHVURJKSA-N 0 3 315.461 3.442 20 30 DGEDHN C[C@@H](Cc1ccsc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000573060981 434870581 /nfs/dbraw/zinc/87/05/81/434870581.db2.gz PYUYUPSSEFFOBW-BBRMVZONSA-N 0 3 313.426 3.099 20 30 DGEDHN C[C@H](C1CCCCC1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000554836972 434949297 /nfs/dbraw/zinc/94/92/97/434949297.db2.gz DRHRNGPAZPDNEL-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCCCCCN(C)CC(=O)N(C)Cc1ccccc1F ZINC000523552194 434953410 /nfs/dbraw/zinc/95/34/10/434953410.db2.gz QWZKWPPEYULMNE-UHFFFAOYSA-N 0 3 306.425 3.462 20 30 DGEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCCC2)cc1)c1ccccn1 ZINC000554321187 434922077 /nfs/dbraw/zinc/92/20/77/434922077.db2.gz ITPAZEUQMJFBNR-QGZVFWFLSA-N 0 3 305.381 3.167 20 30 DGEDHN N#C[C@@H](C(=O)c1ccc(CN2CCCC2)cc1)c1ccccn1 ZINC000554321187 434922080 /nfs/dbraw/zinc/92/20/80/434922080.db2.gz ITPAZEUQMJFBNR-QGZVFWFLSA-N 0 3 305.381 3.167 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000527716657 435013956 /nfs/dbraw/zinc/01/39/56/435013956.db2.gz QAFBKBXXDBZUOS-KGLIPLIRSA-N 0 3 301.308 3.147 20 30 DGEDHN COc1cccc([C@H](CNCc2ccc(C#N)c(C)c2)OC)c1 ZINC000527737348 435014324 /nfs/dbraw/zinc/01/43/24/435014324.db2.gz NBDJGVBGYMOXEZ-IBGZPJMESA-N 0 3 310.397 3.353 20 30 DGEDHN COc1ccc([C@@H](NCc2ccc(OC)c(C#N)c2)C2CC2)cn1 ZINC000527840459 435016097 /nfs/dbraw/zinc/01/60/97/435016097.db2.gz GCEPTGCMPRLRAF-IBGZPJMESA-N 0 3 323.396 3.211 20 30 DGEDHN Cn1cc2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cc2n1 ZINC000527964018 435017787 /nfs/dbraw/zinc/01/77/87/435017787.db2.gz SONQPQYAUGAALI-SFHVURJKSA-N 0 3 302.381 3.222 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000528146396 435020943 /nfs/dbraw/zinc/02/09/43/435020943.db2.gz KZEKRLXHSMNPRH-RDJZCZTQSA-N 0 3 313.445 3.268 20 30 DGEDHN Cc1ccc2occ(CC(=O)C(C#N)C(=O)NC3CCCC3)c2c1 ZINC000528923255 435031516 /nfs/dbraw/zinc/03/15/16/435031516.db2.gz FOPFLXCIPNXJNH-MRXNPFEDSA-N 0 3 324.380 3.051 20 30 DGEDHN CCC[C@H]1[C@H](C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000464730673 434996107 /nfs/dbraw/zinc/99/61/07/434996107.db2.gz DOLOMFPYLJLQOW-QAPCUYQASA-N 0 3 313.445 3.075 20 30 DGEDHN C=C[C@@H](C)NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464758657 434997848 /nfs/dbraw/zinc/99/78/48/434997848.db2.gz ZSOXGWXVKCGFJS-AEFFLSMTSA-N 0 3 315.461 3.115 20 30 DGEDHN CC(C)[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000556190369 434999973 /nfs/dbraw/zinc/99/99/73/434999973.db2.gz RFLSWCSAHFAFLM-KRWDZBQOSA-N 0 3 305.385 3.088 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000525636638 435007095 /nfs/dbraw/zinc/00/70/95/435007095.db2.gz GBZYECIUONRWDN-MJGOQNOKSA-N 0 3 314.473 3.364 20 30 DGEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000527289637 435012133 /nfs/dbraw/zinc/01/21/33/435012133.db2.gz WIJAGVIKVVBRPR-GJZGRUSLSA-N 0 3 321.424 3.441 20 30 DGEDHN N#Cc1cccc(CCNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466411584 435076555 /nfs/dbraw/zinc/07/65/55/435076555.db2.gz CPFHNLZDKOMPLY-UHFFFAOYSA-N 0 3 315.760 3.452 20 30 DGEDHN CC(C)C[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000466689287 435087866 /nfs/dbraw/zinc/08/78/66/435087866.db2.gz DZIZHNYXZFHWGS-GOSISDBHSA-N 0 3 313.445 3.075 20 30 DGEDHN C[C@@H]1CC(F)(F)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000530009617 435042135 /nfs/dbraw/zinc/04/21/35/435042135.db2.gz RRQFDRWWDIJWLT-HIFRSBDPSA-N 0 3 306.356 3.405 20 30 DGEDHN C=CCCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000466982801 435103958 /nfs/dbraw/zinc/10/39/58/435103958.db2.gz MXDGZKQZNDPQOT-DOTOQJQBSA-N 0 3 301.434 3.039 20 30 DGEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CC(C)C1)c1ccsc1 ZINC000532065754 435138109 /nfs/dbraw/zinc/13/81/09/435138109.db2.gz ZGMXUGRFMGFVSE-GNHJJJEISA-N 0 3 319.474 3.187 20 30 DGEDHN COC(=O)CC1(NCc2ccc(C#N)cc2F)CCCCC1 ZINC000532724075 435189857 /nfs/dbraw/zinc/18/98/57/435189857.db2.gz HSDBLJYYGYMJMV-UHFFFAOYSA-N 0 3 304.365 3.053 20 30 DGEDHN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000532918410 435198940 /nfs/dbraw/zinc/19/89/40/435198940.db2.gz VANJCBCMDUQKOS-ZTFGCOKTSA-N 0 3 311.429 3.397 20 30 DGEDHN C=CC(C)(C)CNCc1snc(OC)c1Br ZINC000639227990 435205862 /nfs/dbraw/zinc/20/58/62/435205862.db2.gz HYJOVINHBUSSGV-UHFFFAOYSA-N 0 3 305.241 3.216 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000560172673 435153072 /nfs/dbraw/zinc/15/30/72/435153072.db2.gz BWCBVJINUOYDOE-DYESRHJHSA-N 0 3 319.452 3.478 20 30 DGEDHN Cc1ccc(CCN2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000532468479 435167815 /nfs/dbraw/zinc/16/78/15/435167815.db2.gz TUDIAOMCZQEXLB-UHFFFAOYSA-N 0 3 319.452 3.227 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](OCC)[C@@]23CCCO3)cc1 ZINC000639158221 435175930 /nfs/dbraw/zinc/17/59/30/435175930.db2.gz YZTCSZVECVCURQ-IPMKNSEASA-N 0 3 317.429 3.068 20 30 DGEDHN C=CCOc1ccccc1C(=O)N[C@H](C)CN1CCCCCC1 ZINC000476225500 435227377 /nfs/dbraw/zinc/22/73/77/435227377.db2.gz WUDBVUOSMNDIGJ-MRXNPFEDSA-N 0 3 316.445 3.246 20 30 DGEDHN CC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000533298287 435224077 /nfs/dbraw/zinc/22/40/77/435224077.db2.gz OOGQWCHHSGZGJD-HZPDHXFCSA-N 0 3 305.466 3.230 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)CCOc1ccc(C#N)cc1 ZINC000475740776 435209567 /nfs/dbraw/zinc/20/95/67/435209567.db2.gz SQMMIZRLRPIVCA-LJQANCHMSA-N 0 3 324.424 3.127 20 30 DGEDHN C[C@@H](CCC#N)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496397958 435212265 /nfs/dbraw/zinc/21/22/65/435212265.db2.gz IHSPPGGCOVKQMC-SOUVJXGZSA-N 0 3 309.454 3.304 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C=C)CC1)C(C)C ZINC000476269123 435227842 /nfs/dbraw/zinc/22/78/42/435227842.db2.gz PWHOUOMLDSGKDD-GOSISDBHSA-N 0 3 319.493 3.293 20 30 DGEDHN C[C@@H]1CCN(CCC(C)(C)C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496655753 435237092 /nfs/dbraw/zinc/23/70/92/435237092.db2.gz SCYMTJBDPFXJII-HUUCEWRRSA-N 0 3 323.481 3.409 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)CCOc1ccccc1 ZINC000477172242 435260550 /nfs/dbraw/zinc/26/05/50/435260550.db2.gz TYQYXWZPAGIJPJ-UHFFFAOYSA-N 0 3 310.397 3.338 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@H](N)Cc2ccccc21)c1ccccc1 ZINC000565604784 435279272 /nfs/dbraw/zinc/27/92/72/435279272.db2.gz YCNBWKSEVRBWAG-MAUKXSAKSA-N 0 3 306.409 3.263 20 30 DGEDHN CN(CCN[C@@H]1CCc2ccc(C#N)cc21)C(=O)OC(C)(C)C ZINC000496850971 435262134 /nfs/dbraw/zinc/26/21/34/435262134.db2.gz GNZCJVGRFKPGPA-MRXNPFEDSA-N 0 3 315.417 3.002 20 30 DGEDHN C=C(CNC(=O)NC[C@H](C)N1CCCC[C@H]1C)c1ccccc1 ZINC000479306944 435327728 /nfs/dbraw/zinc/32/77/28/435327728.db2.gz DDWMIAXBLLZJQN-SJORKVTESA-N 0 3 315.461 3.262 20 30 DGEDHN Cc1ccc([C@H](C)N(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000515137975 435466374 /nfs/dbraw/zinc/46/63/74/435466374.db2.gz LQXWYJLDWBENRY-QFBILLFUSA-N 0 3 324.424 3.299 20 30 DGEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481396350 435426278 /nfs/dbraw/zinc/42/62/78/435426278.db2.gz BZQCKMJEYIDRBZ-IAQYHMDHSA-N 0 3 305.809 3.271 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644425082 435442235 /nfs/dbraw/zinc/44/22/35/435442235.db2.gz IJPDFYURMNEGEV-UKRRQHHQSA-N 0 3 315.335 3.187 20 30 DGEDHN C=CCN1CC[C@@H](NCC2(c3ccccc3)CCCCC2)C1=O ZINC000538714151 435514578 /nfs/dbraw/zinc/51/45/78/435514578.db2.gz GXWSEIYVDOHCOM-GOSISDBHSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C)=C(C)C1 ZINC000483376420 435515190 /nfs/dbraw/zinc/51/51/90/435515190.db2.gz PVFRNCUAACAVRD-GOSISDBHSA-N 0 3 301.430 3.197 20 30 DGEDHN C=CCN1CC[C@H](NCC2(c3ccccc3)CCCCC2)C1=O ZINC000538714152 435515399 /nfs/dbraw/zinc/51/53/99/435515399.db2.gz GXWSEIYVDOHCOM-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000538367159 435495497 /nfs/dbraw/zinc/49/54/97/435495497.db2.gz AXNRGGPXHOHMEC-MRXNPFEDSA-N 0 3 307.482 3.391 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)C1(N)Cc2ccccc2C1 ZINC000649266395 435553367 /nfs/dbraw/zinc/55/33/67/435553367.db2.gz JUYYGGCTUPPZTE-UHFFFAOYSA-N 0 3 312.457 3.078 20 30 DGEDHN Cc1csc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1C#N ZINC000569705899 435555239 /nfs/dbraw/zinc/55/52/39/435555239.db2.gz GCJXKYFBFLQKBC-CYBMUJFWSA-N 0 3 320.462 3.170 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(Br)ccc1Cl ZINC000539223794 435541240 /nfs/dbraw/zinc/54/12/40/435541240.db2.gz LKVNICFKZLPUSS-SNVBAGLBSA-N 0 3 318.642 3.377 20 30 DGEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000486786725 435613015 /nfs/dbraw/zinc/61/30/15/435613015.db2.gz FAGYNAVCTYDAPQ-YJBOKZPZSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCCC[C@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000486780516 435613382 /nfs/dbraw/zinc/61/33/82/435613382.db2.gz VRWQPNWNRYIFTI-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]1CCC1CCCC1)C1CC1 ZINC000486798106 435616676 /nfs/dbraw/zinc/61/66/76/435616676.db2.gz JOLXFNBMHQWOPO-PKOBYXMFSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCC(C)CC1 ZINC000540883303 435623071 /nfs/dbraw/zinc/62/30/71/435623071.db2.gz KFDBJNCKFZBQQF-CYBMUJFWSA-N 0 3 319.836 3.062 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N3CCN(C)[C@@H](C(C)C)C3)c2c1 ZINC000487756592 435629879 /nfs/dbraw/zinc/62/98/79/435629879.db2.gz YEJHRAZSMBYHHU-GOSISDBHSA-N 0 3 308.429 3.191 20 30 DGEDHN CN1CC[C@]2(CCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1 ZINC000488770812 435642034 /nfs/dbraw/zinc/64/20/34/435642034.db2.gz QEGXBAQXLKADMH-FQEVSTJZSA-N 0 3 324.472 3.099 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000489862868 435651817 /nfs/dbraw/zinc/65/18/17/435651817.db2.gz REBGEXUVWCLAKR-WCXIOVBPSA-N 0 3 307.482 3.103 20 30 DGEDHN CC[C@H]1CCCC[C@H]1NCc1cccc(C(=O)OC)c1C#N ZINC000548487539 435698091 /nfs/dbraw/zinc/69/80/91/435698091.db2.gz MEBZVMXQQGBRDI-SUMWQHHRSA-N 0 3 300.402 3.403 20 30 DGEDHN C#C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000491690917 435794217 /nfs/dbraw/zinc/79/42/17/435794217.db2.gz CQIWUSOMOYAGLY-IEBWSBKVSA-N 0 3 320.367 3.389 20 30 DGEDHN C#C[C@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000491752420 435806149 /nfs/dbraw/zinc/80/61/49/435806149.db2.gz YSNLSAPIZWVBQS-FQEVSTJZSA-N 0 3 323.415 3.149 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000651732633 435807924 /nfs/dbraw/zinc/80/79/24/435807924.db2.gz BPOMYSARPLHRGM-BZUAXINKSA-N 0 3 314.429 3.135 20 30 DGEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000651732635 435808381 /nfs/dbraw/zinc/80/83/81/435808381.db2.gz BPOMYSARPLHRGM-OWCLPIDISA-N 0 3 314.429 3.135 20 30 DGEDHN C=CCC[C@H](CO)NCc1cccc(F)c1OCC(F)(F)F ZINC000641759985 435814164 /nfs/dbraw/zinc/81/41/64/435814164.db2.gz KWEMSSXLRIOWKM-GFCCVEGCSA-N 0 3 321.314 3.184 20 30 DGEDHN C=CCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000655807568 435815218 /nfs/dbraw/zinc/81/52/18/435815218.db2.gz PSXZIVZJPKEBQX-OAHLLOKOSA-N 0 3 311.422 3.380 20 30 DGEDHN CC#CC[C@H](CO)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000641767959 435816392 /nfs/dbraw/zinc/81/63/92/435816392.db2.gz SPWACRFGJSRAQQ-CQSZACIVSA-N 0 3 320.845 3.327 20 30 DGEDHN CC(C)[C@@H](NCC#Cc1ccc(F)cc1)C1(CO)CC=CC1 ZINC000646084540 435773329 /nfs/dbraw/zinc/77/33/29/435773329.db2.gz OBMLZFWGOYIUQT-GOSISDBHSA-N 0 3 301.405 3.120 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000651790330 435828270 /nfs/dbraw/zinc/82/82/70/435828270.db2.gz SRHOVYADXVFARH-CHWSQXEVSA-N 0 3 313.488 3.376 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccc(C)cc1 ZINC000642104086 435859513 /nfs/dbraw/zinc/85/95/13/435859513.db2.gz QBRZVYVZQSACTB-IBGZPJMESA-N 0 3 311.425 3.423 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660706227 435866477 /nfs/dbraw/zinc/86/64/77/435866477.db2.gz IVTYSMCBBAZHOY-ZSHCYNCHSA-N 0 3 307.482 3.008 20 30 DGEDHN C=CCOc1ccc(CN2CCC([C@H](C)CO)CC2)cc1OC ZINC000651956136 435875932 /nfs/dbraw/zinc/87/59/32/435875932.db2.gz MZFOLSHOSFOQTB-OAHLLOKOSA-N 0 3 319.445 3.100 20 30 DGEDHN C=CCOc1ccc(CNCc2cccc(C(=O)OC)c2)cc1 ZINC000572471254 435827518 /nfs/dbraw/zinc/82/75/18/435827518.db2.gz MXPVAOFRIFXLAB-UHFFFAOYSA-N 0 3 311.381 3.328 20 30 DGEDHN C=CCCCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000656127192 435897681 /nfs/dbraw/zinc/89/76/81/435897681.db2.gz TWKZZSOHWKHLHU-KRWDZBQOSA-N 0 3 304.409 3.481 20 30 DGEDHN C=CCc1cc(CN2CC[C@]3(CC3(F)F)C2)cc(OC)c1O ZINC000652063653 435901943 /nfs/dbraw/zinc/90/19/43/435901943.db2.gz RBGZZKROZKTUIK-INIZCTEOSA-N 0 3 309.356 3.360 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652205416 435924611 /nfs/dbraw/zinc/92/46/11/435924611.db2.gz XLAHQIYYDFJOFM-KFWWJZLASA-N 0 3 321.417 3.097 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000665395021 435968677 /nfs/dbraw/zinc/96/86/77/435968677.db2.gz ZNTJMJDBJLFHFN-IXDOHACOSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CCc1cc(CN[C@@H](CO)C[C@H](C)CC)cc(OC)c1O ZINC000647244058 435986900 /nfs/dbraw/zinc/98/69/00/435986900.db2.gz SYEGYYPVADKGHG-CZUORRHYSA-N 0 3 307.434 3.016 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000661367367 436044731 /nfs/dbraw/zinc/04/47/31/436044731.db2.gz IHTQZAVIQQRDKB-ZACQAIPSSA-N 0 3 305.466 3.001 20 30 DGEDHN C=CC[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000661379299 436048082 /nfs/dbraw/zinc/04/80/82/436048082.db2.gz BEHPSKNSSJSPEI-CYBMUJFWSA-N 0 3 317.820 3.136 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CC1CCN(C)CC1 ZINC000661415919 436059522 /nfs/dbraw/zinc/05/95/22/436059522.db2.gz VHMUTRMKMVVSHM-IAGOWNOFSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(CC)[C@H]2CCN(CC)C2)c1 ZINC000665847384 436079715 /nfs/dbraw/zinc/07/97/15/436079715.db2.gz QPROBOHWARFWQC-INIZCTEOSA-N 0 3 317.433 3.199 20 30 DGEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(CC)cc2)nn1 ZINC000657389467 436172723 /nfs/dbraw/zinc/17/27/23/436172723.db2.gz XLEMIYHTLSKSPG-UHFFFAOYSA-N 0 3 312.461 3.484 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(CCC)C1 ZINC000661948323 436233705 /nfs/dbraw/zinc/23/37/05/436233705.db2.gz OHZWNULHQBTVGL-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2COC(C)(C)C2)ccc1OC ZINC000657530233 436237284 /nfs/dbraw/zinc/23/72/84/436237284.db2.gz NUUQZLAMXHKGPK-HNNXBMFYSA-N 0 3 305.418 3.307 20 30 DGEDHN C=CCCn1cc(CN2CCC[C@H]2Cc2ccccc2C)nn1 ZINC000653556799 436204780 /nfs/dbraw/zinc/20/47/80/436204780.db2.gz KEWWLPLUZGSMCZ-IBGZPJMESA-N 0 3 310.445 3.370 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661850163 436208892 /nfs/dbraw/zinc/20/88/92/436208892.db2.gz ZBZMRRNMTJEPIU-HZPDHXFCSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(F)ccc1OC(F)F ZINC000657455669 436210890 /nfs/dbraw/zinc/21/08/90/436210890.db2.gz WKCFKGQQDQRFLL-IAQYHMDHSA-N 0 3 315.335 3.498 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)nn1 ZINC000657457861 436212734 /nfs/dbraw/zinc/21/27/34/436212734.db2.gz TUIQLGZIEJGPKL-WBVHZDCISA-N 0 3 314.408 3.419 20 30 DGEDHN C=CCCn1cc(CN[C@@](C)(Cc2ccccc2)C2CC2)nn1 ZINC000657486912 436223196 /nfs/dbraw/zinc/22/31/96/436223196.db2.gz LPBFGNGWTJDTLQ-IBGZPJMESA-N 0 3 310.445 3.355 20 30 DGEDHN C=CCCn1cc(CN2CCC[C@]2(C)Cc2ccccc2)nn1 ZINC000653618796 436225877 /nfs/dbraw/zinc/22/58/77/436225877.db2.gz YBSBYBVZOYKEKZ-LJQANCHMSA-N 0 3 310.445 3.451 20 30 DGEDHN C=CCC1(NCc2nccn2Cc2ccccc2)CCOCC1 ZINC000657633831 436265624 /nfs/dbraw/zinc/26/56/24/436265624.db2.gz YWBOUUABHQMOEU-UHFFFAOYSA-N 0 3 311.429 3.146 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H]1CCN(c2ccccc2F)C1=O ZINC000662084758 436270820 /nfs/dbraw/zinc/27/08/20/436270820.db2.gz WBLRHOQXIXLINU-VBQJREDUSA-N 0 3 300.377 3.114 20 30 DGEDHN C=CCC[C@@H](NCCC1(CS(C)(=O)=O)CC1)c1ccco1 ZINC000658080245 436368488 /nfs/dbraw/zinc/36/84/88/436368488.db2.gz GVKZKKIVNMJMDZ-CQSZACIVSA-N 0 3 311.447 3.091 20 30 DGEDHN C=CCOCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000658209499 436400554 /nfs/dbraw/zinc/40/05/54/436400554.db2.gz GAYCIBRCMKXQID-GOSISDBHSA-N 0 3 300.377 3.492 20 30 DGEDHN C=CCn1cc(CN[C@H](CC)Cc2ccc(Cl)cc2)nn1 ZINC000658037092 436358822 /nfs/dbraw/zinc/35/88/22/436358822.db2.gz FVDCNUUSWZBNGD-OAHLLOKOSA-N 0 3 304.825 3.228 20 30 DGEDHN C=C[C@H](CO)N[C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000658335045 436433391 /nfs/dbraw/zinc/43/33/91/436433391.db2.gz ZYPMOEKXHDWTPQ-MWLCHTKSSA-N 0 3 307.743 3.426 20 30 DGEDHN C=CCCCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042782 436460860 /nfs/dbraw/zinc/46/08/60/436460860.db2.gz VAWJDZUBAAJRED-QGZVFWFLSA-N 0 3 317.433 3.215 20 30 DGEDHN C=CCC(C)(C)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659040036 436461219 /nfs/dbraw/zinc/46/12/19/436461219.db2.gz DHKOGUILXCAOJP-INIZCTEOSA-N 0 3 317.433 3.071 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659271685 436487030 /nfs/dbraw/zinc/48/70/30/436487030.db2.gz AXHGTQJMNVUJKG-QGZVFWFLSA-N 0 3 312.438 3.497 20 30 DGEDHN COc1ccc(CN[C@@]2(C)CCO[C@H]2C)cc1OCCCC#N ZINC000344390127 533695318 /nfs/dbraw/zinc/69/53/18/533695318.db2.gz HGXWQCOMKAUIJR-KSSFIOAISA-N 0 3 318.417 3.035 20 30 DGEDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cnn1CC(C)C ZINC000330952838 533699714 /nfs/dbraw/zinc/69/97/14/533699714.db2.gz FQFGMPKFSSINQQ-UHFFFAOYSA-N 0 3 320.481 3.274 20 30 DGEDHN C[C@@H](NCc1ccccc1N1CCOCC1)c1cccc(C#N)c1 ZINC000174429509 312762799 /nfs/dbraw/zinc/76/27/99/312762799.db2.gz YYLJFPJPTRDFGR-MRXNPFEDSA-N 0 3 321.424 3.246 20 30 DGEDHN CCCC[C@H](CC)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000546931659 314336821 /nfs/dbraw/zinc/33/68/21/314336821.db2.gz VJCYXCINQUSBOS-INIZCTEOSA-N 0 3 300.450 3.292 20 30 DGEDHN Cc1ccccc1C(C)(C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000549869459 314521831 /nfs/dbraw/zinc/52/18/31/314521831.db2.gz OBDAOFZZVWNKOO-KRWDZBQOSA-N 0 3 324.424 3.131 20 30 DGEDHN COc1ccccc1C[C@H](NCc1ccc(C#N)cn1)C(C)C ZINC000558245953 314834836 /nfs/dbraw/zinc/83/48/36/314834836.db2.gz MBZFOIWRLDSPAO-SFHVURJKSA-N 0 3 309.413 3.319 20 30 DGEDHN C[C@@H](NCc1ccc2cnn(C)c2c1)c1ccc(C#N)c(F)c1 ZINC000558650933 314855289 /nfs/dbraw/zinc/85/52/89/314855289.db2.gz PEGYMAZGJYIYHR-GFCCVEGCSA-N 0 3 308.360 3.435 20 30 DGEDHN Cn1ncc2c1CCC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000566670234 315366715 /nfs/dbraw/zinc/36/67/15/315366715.db2.gz OWLNVKLZEOWPNX-ZWKOTPCHSA-N 0 3 306.413 3.336 20 30 DGEDHN Cc1c(C#N)c(N2CC[C@H](N3CCCC3)C2)nc2ccccc12 ZINC000566895990 315381373 /nfs/dbraw/zinc/38/13/73/315381373.db2.gz BKLIGNRKMLAPKQ-HNNXBMFYSA-N 0 3 306.413 3.089 20 30 DGEDHN COc1ccc(F)cc1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000179957622 323218068 /nfs/dbraw/zinc/21/80/68/323218068.db2.gz KOIAVIVVEJMBRP-CYBMUJFWSA-N 0 3 314.360 3.436 20 30 DGEDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1cccc(C#N)c1 ZINC000181445268 323253983 /nfs/dbraw/zinc/25/39/83/323253983.db2.gz BGKKSJPGTAXRDI-HNNXBMFYSA-N 0 3 317.396 3.049 20 30 DGEDHN Cn1cc([C@H]2CN(Cc3ccc(F)c(C#N)c3)CC2(C)C)cn1 ZINC000582279660 324211503 /nfs/dbraw/zinc/21/15/03/324211503.db2.gz WBBXRTUFHDEPFI-MRXNPFEDSA-N 0 3 312.392 3.056 20 30 DGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(Br)s1 ZINC000309502776 331678521 /nfs/dbraw/zinc/67/85/21/331678521.db2.gz BGSPZHKSVDAXKJ-ZJUUUORDSA-N 0 3 304.253 3.488 20 30 DGEDHN CC(C)(C)[C@H](CCO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181473058 332195744 /nfs/dbraw/zinc/19/57/44/332195744.db2.gz SWXUVJHAUUIFSJ-HNNXBMFYSA-N 0 3 313.363 3.444 20 30 DGEDHN C=CCOc1ccc(CNCCc2nccnc2C)cc1Cl ZINC000292949763 335098425 /nfs/dbraw/zinc/09/84/25/335098425.db2.gz IOYVYURFVIXVFW-UHFFFAOYSA-N 0 3 317.820 3.336 20 30 DGEDHN C=CCCCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000560255060 332323687 /nfs/dbraw/zinc/32/36/87/332323687.db2.gz JGHMNXXJUKGKNW-WBVHZDCISA-N 0 3 309.475 3.415 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Br)cn1 ZINC000560350800 332333524 /nfs/dbraw/zinc/33/35/24/332333524.db2.gz BAPWGCFWHYEXHH-GDLCADMTSA-N 0 3 311.223 3.228 20 30 DGEDHN Cc1cccc(OC[C@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000561191397 332423682 /nfs/dbraw/zinc/42/36/82/332423682.db2.gz CCUURJPWNHGNIQ-QUCCMNQESA-N 0 3 324.424 3.369 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000528448005 332644211 /nfs/dbraw/zinc/64/42/11/332644211.db2.gz JKECGXLFIJBASG-ZWKOTPCHSA-N 0 3 316.420 3.086 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000193225539 333058934 /nfs/dbraw/zinc/05/89/34/333058934.db2.gz BWOIRPDHNYRMRE-LSDHHAIUSA-N 0 3 304.459 3.474 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2CCC(C)(C)C#N)C1 ZINC000497271155 333229823 /nfs/dbraw/zinc/22/98/23/333229823.db2.gz IRSHBLCIKTUVJS-GOSISDBHSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1C ZINC000497605621 333268119 /nfs/dbraw/zinc/26/81/19/333268119.db2.gz MWXZEQFQOWDYAB-IBGZPJMESA-N 0 3 311.425 3.423 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3cccc(Cl)c3)CC2)C1=O ZINC000499787717 333309683 /nfs/dbraw/zinc/30/96/83/333309683.db2.gz WPEMDXUJGUKODZ-KRWDZBQOSA-N 0 3 318.848 3.306 20 30 DGEDHN C=CCC[C@@H](CO)N[C@H](C)c1sccc1Br ZINC000320321327 333514850 /nfs/dbraw/zinc/51/48/50/333514850.db2.gz XHNYRYLGXGAULR-ZJUUUORDSA-N 0 3 304.253 3.488 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000185728526 335147274 /nfs/dbraw/zinc/14/72/74/335147274.db2.gz KAGVYKRFPHSMDL-QGZVFWFLSA-N 0 3 312.457 3.159 20 30 DGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC(C)(C)C#N ZINC000278409778 334096222 /nfs/dbraw/zinc/09/62/22/334096222.db2.gz VOJOZCSRBFOIJR-INIZCTEOSA-N 0 3 313.445 3.049 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@H]3CC[C@H](C#N)C3)ccc2NC1=O ZINC000278505321 334097129 /nfs/dbraw/zinc/09/71/29/334097129.db2.gz ATYVCCKPJBHSQX-DUPGQFARSA-N 0 3 313.401 3.139 20 30 DGEDHN CCOc1ccc(C2=CCN(CCOCCC#N)CC2)cc1 ZINC000293721143 334201540 /nfs/dbraw/zinc/20/15/40/334201540.db2.gz FQHKEUIIANPYHY-UHFFFAOYSA-N 0 3 300.402 3.105 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC=C(C)CC1)C(C)C ZINC000535220121 334380495 /nfs/dbraw/zinc/38/04/95/334380495.db2.gz MPIXCIDBXLDNBE-KRWDZBQOSA-N 0 3 305.466 3.047 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000532080492 334727935 /nfs/dbraw/zinc/72/79/35/334727935.db2.gz VBFWDZTXQSAMLJ-UHFFFAOYSA-N 0 3 302.418 3.464 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)NC(C)(C)c1cccs1 ZINC000348311392 335575447 /nfs/dbraw/zinc/57/54/47/335575447.db2.gz BUIFNCYJOMPARQ-WBMJQRKESA-N 0 3 307.463 3.016 20 30 DGEDHN C=CC[C@H](CO)CNCc1c(Cl)cc(Cl)cc1N(C)C ZINC000352805040 336241527 /nfs/dbraw/zinc/24/15/27/336241527.db2.gz XWOOPWIVIZPAKQ-NSHDSACASA-N 0 3 317.260 3.334 20 30 DGEDHN C=CCC[C@H](NCCC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000582296793 336894580 /nfs/dbraw/zinc/89/45/80/336894580.db2.gz WROPKLSYWZVQSE-ZDUSSCGKSA-N 0 3 300.324 3.178 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000302809359 336928402 /nfs/dbraw/zinc/92/84/02/336928402.db2.gz KCVULTHEDYSCBI-BRWVUGGUSA-N 0 3 313.445 3.300 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(F)cc1Br ZINC000320980815 337088465 /nfs/dbraw/zinc/08/84/65/337088465.db2.gz HPYOIHYHXHTSEZ-GFCCVEGCSA-N 0 3 302.187 3.005 20 30 DGEDHN C[C@@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000584662804 337378539 /nfs/dbraw/zinc/37/85/39/337378539.db2.gz LKWSDMUAJMYDOZ-OXQOHEQNSA-N 0 3 321.424 3.114 20 30 DGEDHN N#CCC[C@H](C#N)CNCCN1CCC2(CCCCC2)CC1 ZINC000571994283 337585715 /nfs/dbraw/zinc/58/57/15/337585715.db2.gz WTUSMVIMIOPPJS-QGZVFWFLSA-N 0 3 302.466 3.066 20 30 DGEDHN CN(C)C[C@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000527244295 337739828 /nfs/dbraw/zinc/73/98/28/337739828.db2.gz LJDHMMCTZGLGSA-QZTJIDSGSA-N 0 3 313.445 3.017 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000106264907 337815744 /nfs/dbraw/zinc/81/57/44/337815744.db2.gz IFEIHHVTUXTXKV-DOTOQJQBSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCOc1cccc(NC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000098026232 337958428 /nfs/dbraw/zinc/95/84/28/337958428.db2.gz OYHYVDCFDBJCLV-HNNXBMFYSA-N 0 3 317.433 3.247 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000514837564 337972655 /nfs/dbraw/zinc/97/26/55/337972655.db2.gz ULWIWQLVIQKYOC-MSOLQXFVSA-N 0 3 314.429 3.164 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000514837567 337972691 /nfs/dbraw/zinc/97/26/91/337972691.db2.gz ULWIWQLVIQKYOC-ZWKOTPCHSA-N 0 3 314.429 3.164 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)C(C)C)C(C)C ZINC000501751723 340087867 /nfs/dbraw/zinc/08/78/67/340087867.db2.gz GPWAPIYYQSGUBY-IRXDYDNUSA-N 0 3 309.498 3.371 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H](C)C(C)C)C(C)C ZINC000501751722 340087871 /nfs/dbraw/zinc/08/78/71/340087871.db2.gz GPWAPIYYQSGUBY-IAGOWNOFSA-N 0 3 309.498 3.371 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1(C)CCCC1)C(C)C ZINC000503393836 340127225 /nfs/dbraw/zinc/12/72/25/340127225.db2.gz BAAJRJWBAVOHRH-INIZCTEOSA-N 0 3 307.482 3.317 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CCCCC1)C(C)C ZINC000503409684 340127702 /nfs/dbraw/zinc/12/77/02/340127702.db2.gz KBYVGIYSYUDLMA-QGZVFWFLSA-N 0 3 307.482 3.317 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000507235414 340215015 /nfs/dbraw/zinc/21/50/15/340215015.db2.gz ZZNNXLJPOIJHQO-ZIAGYGMSSA-N 0 3 314.433 3.027 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000303477165 340327346 /nfs/dbraw/zinc/32/73/46/340327346.db2.gz SBPPAMKEEVRODB-HNNXBMFYSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1CC ZINC000303509835 340328805 /nfs/dbraw/zinc/32/88/05/340328805.db2.gz WRHUMFQRZYFAKO-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=C(CNC(=O)N(CCC)CCN1CCCC1)c1ccccc1 ZINC000512673443 340372492 /nfs/dbraw/zinc/37/24/92/340372492.db2.gz QRZXPXORUHIXMO-UHFFFAOYSA-N 0 3 315.461 3.217 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)N2CCC(CCC#N)CC2)c1 ZINC000521999580 340562101 /nfs/dbraw/zinc/56/21/01/340562101.db2.gz YUVBWJQUSGPERJ-UHFFFAOYSA-N 0 3 314.433 3.296 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cccc(C)c1)C(C)C ZINC000523655346 340630887 /nfs/dbraw/zinc/63/08/87/340630887.db2.gz IWWVNCZHINSIIR-LJQANCHMSA-N 0 3 314.473 3.352 20 30 DGEDHN N#CCC1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000541025548 340956827 /nfs/dbraw/zinc/95/68/27/340956827.db2.gz XULZJNCGBVHWFG-UHFFFAOYSA-N 0 3 310.401 3.295 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC1(C2CC2)CC1 ZINC000541596082 340976846 /nfs/dbraw/zinc/97/68/46/340976846.db2.gz ZZMCLULUGMQTMG-CYBMUJFWSA-N 0 3 304.459 3.183 20 30 DGEDHN COC(=O)C[C@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000541601681 340977081 /nfs/dbraw/zinc/97/70/81/340977081.db2.gz LZTJBKWTBCHQSN-SFHVURJKSA-N 0 3 317.404 3.279 20 30 DGEDHN C=C[C@H](CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000130116513 340999841 /nfs/dbraw/zinc/99/98/41/340999841.db2.gz PAXZOBRHODMWHW-QGZVFWFLSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCc1cc(CN2CCC(CC#N)CC2)cc(OC)c1O ZINC000542854125 341023759 /nfs/dbraw/zinc/02/37/59/341023759.db2.gz PLFWGSPKFMARCV-UHFFFAOYSA-N 0 3 300.402 3.255 20 30 DGEDHN C=C(C)CN1CCC(N[C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000543592899 341049875 /nfs/dbraw/zinc/04/98/75/341049875.db2.gz KCZFCFDZPKKWIT-FQEVSTJZSA-N 0 3 322.456 3.196 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2coc3ccccc23)CC1 ZINC000564311697 341188291 /nfs/dbraw/zinc/18/82/91/341188291.db2.gz MMERRGRQMICXOP-UHFFFAOYSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H]1CCCCN1CC)c1ccccc1 ZINC000134196097 341209149 /nfs/dbraw/zinc/20/91/49/341209149.db2.gz DZFQBUVKRCBLTG-AEFFLSMTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)COCCNCc1cc(Cl)c(OCC)c(OC)c1 ZINC000134508727 341216551 /nfs/dbraw/zinc/21/65/51/341216551.db2.gz KUFMOBJJDOZHJG-UHFFFAOYSA-N 0 3 313.825 3.430 20 30 DGEDHN C=C(C)COCCNCc1c(C)nn(Cc2ccccc2)c1C ZINC000134509630 341216767 /nfs/dbraw/zinc/21/67/67/341216767.db2.gz HVDSRWJOSUJWQL-UHFFFAOYSA-N 0 3 313.445 3.231 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000079269507 341256204 /nfs/dbraw/zinc/25/62/04/341256204.db2.gz IXWBVDORPYFDET-KRWDZBQOSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCOCCN(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000549464258 341295241 /nfs/dbraw/zinc/29/52/41/341295241.db2.gz RMNVGWVENAUORA-LJQANCHMSA-N 0 3 303.446 3.221 20 30 DGEDHN C=CCN(Cc1cccs1)C[C@H](O)Cc1ccc(F)cc1 ZINC000549750465 341302133 /nfs/dbraw/zinc/30/21/33/341302133.db2.gz HXTGOURSGAXEGC-MRXNPFEDSA-N 0 3 305.418 3.479 20 30 DGEDHN C=CCC[C@H](O)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000248982282 341391285 /nfs/dbraw/zinc/39/12/85/341391285.db2.gz FUHQQZWYFLXCEQ-RCBQFDQVSA-N 0 3 313.800 3.226 20 30 DGEDHN C=C(C)CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249121641 341394284 /nfs/dbraw/zinc/39/42/84/341394284.db2.gz AAPCMCZSGYDQPQ-DZGCQCFKSA-N 0 3 307.463 3.006 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000249297385 341396173 /nfs/dbraw/zinc/39/61/73/341396173.db2.gz BWOIRPDHNYRMRE-GJZGRUSLSA-N 0 3 304.459 3.474 20 30 DGEDHN N#CCC[C@H](NCCC(=O)Nc1cccnc1)c1ccccc1 ZINC000568156609 341654826 /nfs/dbraw/zinc/65/48/26/341654826.db2.gz HORSFBLUTYWKTR-KRWDZBQOSA-N 0 3 308.385 3.045 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000575863752 341811308 /nfs/dbraw/zinc/81/13/08/341811308.db2.gz NIHKAJYFZUTLLQ-RISCZKNCSA-N 0 3 316.792 3.214 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cncc(F)c1)C(C)C ZINC000439637694 500577303 /nfs/dbraw/zinc/57/73/03/500577303.db2.gz HFOXYUIABGCGKH-INIZCTEOSA-N 0 3 320.412 3.041 20 30 DGEDHN COc1cc(CN(C)C[C@H](C)c2nccs2)ccc1C#N ZINC000442840875 533784601 /nfs/dbraw/zinc/78/46/01/533784601.db2.gz FGOPDAQPODTIAL-LBPRGKRZSA-N 0 3 301.415 3.259 20 30 DGEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCC2)c(C)c1OC ZINC000418142334 533792607 /nfs/dbraw/zinc/79/26/07/533792607.db2.gz MUQRKOPUOXOHHH-ZDUSSCGKSA-N 0 3 302.418 3.227 20 30 DGEDHN C[C@H](NC[C@@](C)(O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000181788585 533889543 /nfs/dbraw/zinc/88/95/43/533889543.db2.gz JRRAXRXZWRNFGF-SUMWQHHRSA-N 0 3 316.426 3.209 20 30 DGEDHN Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000348026568 534039333 /nfs/dbraw/zinc/03/93/33/534039333.db2.gz DOKRKWWWBXEFSA-KRWDZBQOSA-N 0 3 321.355 3.004 20 30 DGEDHN COC(=O)c1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1 ZINC000343427439 534096789 /nfs/dbraw/zinc/09/67/89/534096789.db2.gz RMKUJDSMUKXECV-UHFFFAOYSA-N 0 3 308.381 3.171 20 30 DGEDHN C[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429584178 534247199 /nfs/dbraw/zinc/24/71/99/534247199.db2.gz DCTYFSHACWPYRJ-RISCZKNCSA-N 0 3 305.809 3.271 20 30 DGEDHN Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1C#N ZINC000309917232 534406909 /nfs/dbraw/zinc/40/69/09/534406909.db2.gz UTQFHWLTYCFTQJ-MAUKXSAKSA-N 0 3 306.413 3.337 20 30 DGEDHN C=C(CC)CNCc1cnc2c(C)cc(Br)cn12 ZINC000449737330 534418031 /nfs/dbraw/zinc/41/80/31/534418031.db2.gz YYUMZMAQTRHUMG-UHFFFAOYSA-N 0 3 308.223 3.461 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000454865065 534512346 /nfs/dbraw/zinc/51/23/46/534512346.db2.gz CLOZBWLNNLVRAR-QGZVFWFLSA-N 0 3 315.461 3.020 20 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XRPCUQUMKZRMMO-VQIMIIECSA-N 0 3 312.457 3.479 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(OCc3ccccc3)c2)C1 ZINC000442714195 534755001 /nfs/dbraw/zinc/75/50/01/534755001.db2.gz XVSJMFZJBCXRJY-FUHWJXTLSA-N 0 3 307.397 3.442 20 30 DGEDHN Cc1ncsc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000346355868 534798333 /nfs/dbraw/zinc/79/83/33/534798333.db2.gz KZIRLAXFPSGVSX-HNNXBMFYSA-N 0 3 313.426 3.183 20 30 DGEDHN CC1(C)C[C@H](O)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449618915 534898694 /nfs/dbraw/zinc/89/86/94/534898694.db2.gz MLXCZEFXWKHROJ-QGZVFWFLSA-N 0 3 316.445 3.352 20 30 DGEDHN C=CCN(CCC(=O)Nc1cccc(C#N)c1)CCc1ccco1 ZINC000352721747 526272969 /nfs/dbraw/zinc/27/29/69/526272969.db2.gz WYUCGDXASZJJPX-UHFFFAOYSA-N 0 3 323.396 3.211 20 30 DGEDHN C=CCN(CCc1ccco1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000352700474 526327356 /nfs/dbraw/zinc/32/73/56/526327356.db2.gz PUMDUPKOUSYILO-UHFFFAOYSA-N 0 3 317.360 3.436 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345762290 526361443 /nfs/dbraw/zinc/36/14/43/526361443.db2.gz WSUAXCVKFUTMPY-RHSMWYFYSA-N 0 3 319.424 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000175742507 526440457 /nfs/dbraw/zinc/44/04/57/526440457.db2.gz PWKLPXSZRCFLOO-ZBFHGGJFSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000357820563 526444399 /nfs/dbraw/zinc/44/43/99/526444399.db2.gz ODPHJUKLXSVLIT-HXUWFJFHSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN1CCC(Nc2cc(N(C)c3ccccc3)ncn2)CC1 ZINC000432322667 526454359 /nfs/dbraw/zinc/45/43/59/526454359.db2.gz BOHPJYYOFYFNHL-UHFFFAOYSA-N 0 3 323.444 3.307 20 30 DGEDHN C=CCN1CC[C@H](N2CCC[C@@H](c3ccc(F)cc3)CC2)C1=O ZINC000337176730 526507405 /nfs/dbraw/zinc/50/74/05/526507405.db2.gz JCSUSNQDZBRQQF-QAPCUYQASA-N 0 3 316.420 3.182 20 30 DGEDHN C=C(C)CN(CCCC1CCOCC1)Cc1ccc(CO)o1 ZINC000352797832 526551578 /nfs/dbraw/zinc/55/15/78/526551578.db2.gz CNBLWFISMYJDFN-UHFFFAOYSA-N 0 3 307.434 3.357 20 30 DGEDHN C=C(C)CN(CCCn1ccnc1C)Cc1cnn(C(C)C)c1 ZINC000352902729 526553365 /nfs/dbraw/zinc/55/33/65/526553365.db2.gz NPEHQNCQGPMHBY-UHFFFAOYSA-N 0 3 315.465 3.437 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(C2CC2)CC1 ZINC000338917291 526563981 /nfs/dbraw/zinc/56/39/81/526563981.db2.gz XGJSZEKXDNVMEG-UHFFFAOYSA-N 0 3 312.457 3.466 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000352211408 526564673 /nfs/dbraw/zinc/56/46/73/526564673.db2.gz RYSSQMRIZZSQBD-IAGOWNOFSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2oc(CC3CC3)nc2C)CC1 ZINC000330029501 526576853 /nfs/dbraw/zinc/57/68/53/526576853.db2.gz QCFVUSJUOQFLGT-UHFFFAOYSA-N 0 3 317.433 3.281 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C/C=C/c2ccccc2F)CC1 ZINC000176285962 526580245 /nfs/dbraw/zinc/58/02/45/526580245.db2.gz BLIQYFMSFFOXPS-FNORWQNLSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000413236578 526591086 /nfs/dbraw/zinc/59/10/86/526591086.db2.gz KDOGOXJQZCARQY-SJLPKXTDSA-N 0 3 319.493 3.152 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000425489260 526593932 /nfs/dbraw/zinc/59/39/32/526593932.db2.gz XXOCRWXXYYFUDA-FUHWJXTLSA-N 0 3 319.493 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000129707108 526597136 /nfs/dbraw/zinc/59/71/36/526597136.db2.gz QMLFONLGIFYODP-MRXNPFEDSA-N 0 3 318.486 3.325 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)oc2C)CC1 ZINC000352274742 526598523 /nfs/dbraw/zinc/59/85/23/526598523.db2.gz WLFBATRPWBADDA-UHFFFAOYSA-N 0 3 304.434 3.482 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(C(C)C)s2)CC1 ZINC000161751377 526601784 /nfs/dbraw/zinc/60/17/84/526601784.db2.gz YKKLVWKAXDSUDH-UHFFFAOYSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2c(F)cccc2F)CCCC1 ZINC000159846435 526625354 /nfs/dbraw/zinc/62/53/54/526625354.db2.gz BDXFOHVEIBAEEC-CYBMUJFWSA-N 0 3 322.399 3.057 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180917578 526626574 /nfs/dbraw/zinc/62/65/74/526626574.db2.gz NBCOKTPBCMTQID-LSDHHAIUSA-N 0 3 309.413 3.090 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180917540 526634992 /nfs/dbraw/zinc/63/49/92/526634992.db2.gz NBCOKTPBCMTQID-GJZGRUSLSA-N 0 3 309.413 3.090 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000440620752 526636712 /nfs/dbraw/zinc/63/67/12/526636712.db2.gz GYNHZJKIBFQSSO-YOEHRIQHSA-N 0 3 300.446 3.371 20 30 DGEDHN C=C(C)COc1cc(CN2[C@@H]3CC[C@H]2CC(O)C3)ccc1OC ZINC000126847198 526660706 /nfs/dbraw/zinc/66/07/06/526660706.db2.gz QZQUDDLSLPTHOJ-SJPCQFCGSA-N 0 3 317.429 3.138 20 30 DGEDHN C#CCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000185882870 526662261 /nfs/dbraw/zinc/66/22/61/526662261.db2.gz ZCUAPXXXSGFGRQ-KRWDZBQOSA-N 0 3 312.457 3.159 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185317957 526666241 /nfs/dbraw/zinc/66/62/41/526666241.db2.gz FJOVHGYMZWYZSU-SFHVURJKSA-N 0 3 312.457 3.063 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000345291362 526670663 /nfs/dbraw/zinc/67/06/63/526670663.db2.gz BYNCWSBTEGYXQD-WMLDXEAASA-N 0 3 317.433 3.246 20 30 DGEDHN CC(=O)NC1CCC(N(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000344130675 526695918 /nfs/dbraw/zinc/69/59/18/526695918.db2.gz YAZUSQXOKQEZGJ-UHFFFAOYSA-N 0 3 318.848 3.071 20 30 DGEDHN C=CCOCCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000347968349 526748831 /nfs/dbraw/zinc/74/88/31/526748831.db2.gz QSPYCUXTXDJWRG-SFHVURJKSA-N 0 3 307.409 3.399 20 30 DGEDHN C=CCOCCCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348047342 526749486 /nfs/dbraw/zinc/74/94/86/526749486.db2.gz KEAMQRAEWAWHLS-UHFFFAOYSA-N 0 3 318.244 3.380 20 30 DGEDHN C=CCOCCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000348064365 526753607 /nfs/dbraw/zinc/75/36/07/526753607.db2.gz XPNQWEYGGQDUOJ-INIZCTEOSA-N 0 3 303.402 3.187 20 30 DGEDHN C=CCOCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000339025189 526771010 /nfs/dbraw/zinc/77/10/10/526771010.db2.gz ZVCVMAVDKNOAFM-AWEZNQCLSA-N 0 3 306.475 3.404 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000343066686 526845916 /nfs/dbraw/zinc/84/59/16/526845916.db2.gz HTAWEAIPVIJQTF-HZPDHXFCSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1 ZINC000352917755 526887194 /nfs/dbraw/zinc/88/71/94/526887194.db2.gz YKBIQLUGSQRDRW-JOCHJYFZSA-N 0 3 315.438 3.279 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000352953663 526887552 /nfs/dbraw/zinc/88/75/52/526887552.db2.gz SBXPGLSDUGZHAB-UHFFFAOYSA-N 0 3 308.381 3.421 20 30 DGEDHN C=CCOc1ccc(CN[C@H](CO)CC(F)F)cc1Cl ZINC000428651864 526891046 /nfs/dbraw/zinc/89/10/46/526891046.db2.gz ZERLXKHSJCUCIG-NSHDSACASA-N 0 3 305.752 3.011 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)NCCC(=O)NC(C)C)cc1 ZINC000133862112 526891226 /nfs/dbraw/zinc/89/12/26/526891226.db2.gz QEURJDOFYLEIOO-AWEZNQCLSA-N 0 3 324.852 3.383 20 30 DGEDHN C=C1CCN(C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000342187662 526902760 /nfs/dbraw/zinc/90/27/60/526902760.db2.gz WGURFTLSFAUDEO-RHSMWYFYSA-N 0 3 309.837 3.431 20 30 DGEDHN C=C1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000346635743 526903684 /nfs/dbraw/zinc/90/36/84/526903684.db2.gz BLUBBZDLORCZGJ-UHFFFAOYSA-N 0 3 323.234 3.430 20 30 DGEDHN C=C1CCN(Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000353319068 526903967 /nfs/dbraw/zinc/90/39/67/526903967.db2.gz BGIARJDLXCWLLU-UHFFFAOYSA-N 0 3 303.402 3.007 20 30 DGEDHN C=CCOc1cccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000338049508 526918228 /nfs/dbraw/zinc/91/82/28/526918228.db2.gz GDGCXPNXDCIVFQ-QLFBSQMISA-N 0 3 302.418 3.451 20 30 DGEDHN C=CCOc1ccccc1CNC[C@H]1CCCn2cc(C)nc21 ZINC000344535802 526951051 /nfs/dbraw/zinc/95/10/51/526951051.db2.gz JCRKIDFCWYKJDL-QGZVFWFLSA-N 0 3 311.429 3.424 20 30 DGEDHN C=CC1CCN(CC(=O)N(C)Cc2ccc(CC)cc2)CC1 ZINC000348187351 526977970 /nfs/dbraw/zinc/97/79/70/526977970.db2.gz NQUKQIMYVPGDAM-UHFFFAOYSA-N 0 3 300.446 3.105 20 30 DGEDHN C=CCC(C)(C)CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000432071034 527008771 /nfs/dbraw/zinc/00/87/71/527008771.db2.gz FBGUVDVSVOBBFB-UHFFFAOYSA-N 0 3 303.450 3.150 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CCCCC1 ZINC000410584559 527041560 /nfs/dbraw/zinc/04/15/60/527041560.db2.gz AXXRJEJSWUZQNY-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCCC1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000355964938 527090660 /nfs/dbraw/zinc/09/06/60/527090660.db2.gz BIUQWNFHCGRVFC-INIZCTEOSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176323148 527100403 /nfs/dbraw/zinc/10/04/03/527100403.db2.gz PQRBWLRSORLNTD-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C=CCCCCCN(C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000357560995 527129369 /nfs/dbraw/zinc/12/93/69/527129369.db2.gz JGSLLDCLPJQUHV-UHFFFAOYSA-N 0 3 324.490 3.115 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342098986 527132988 /nfs/dbraw/zinc/13/29/88/527132988.db2.gz HDSSALZWPRRCHK-UXLLHSPISA-N 0 3 301.434 3.086 20 30 DGEDHN C=CCCCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000351712992 527158303 /nfs/dbraw/zinc/15/83/03/527158303.db2.gz RMEYGHQJWUWUJY-INIZCTEOSA-N 0 3 303.450 3.162 20 30 DGEDHN C=CCCCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341374098 527160618 /nfs/dbraw/zinc/16/06/18/527160618.db2.gz BHMKXQQLJHNLLX-MRXNPFEDSA-N 0 3 303.450 3.162 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)cc(Cl)c1OC ZINC000341296273 527186334 /nfs/dbraw/zinc/18/63/34/527186334.db2.gz JDBLTDOGRBZIMZ-JTQLQIEISA-N 0 3 304.217 3.276 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1OC(F)F ZINC000341260788 527186411 /nfs/dbraw/zinc/18/64/11/527186411.db2.gz CGUQGVLPCNZPLT-JTQLQIEISA-N 0 3 305.752 3.216 20 30 DGEDHN C=CCCCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354219554 527197698 /nfs/dbraw/zinc/19/76/98/527197698.db2.gz CSZFWYDTETXTNN-KRWDZBQOSA-N 0 3 314.429 3.381 20 30 DGEDHN CC(C)(CO)[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000429713278 527214853 /nfs/dbraw/zinc/21/48/53/527214853.db2.gz DJKZUACCRIFNMM-IBGZPJMESA-N 0 3 324.424 3.286 20 30 DGEDHN C=CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000344521705 527224360 /nfs/dbraw/zinc/22/43/60/527224360.db2.gz QINGWXUZZNVADQ-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN C=CCc1cc(CN[C@H](C)c2cc[nH]c(=O)c2)cc(OC)c1O ZINC000339458674 527244239 /nfs/dbraw/zinc/24/42/39/527244239.db2.gz WTUMXVHKQKPHAH-GFCCVEGCSA-N 0 3 314.385 3.081 20 30 DGEDHN C=CCCN(C)CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000342722791 527318977 /nfs/dbraw/zinc/31/89/77/527318977.db2.gz PHMPAWZVNODHIA-GOSISDBHSA-N 0 3 316.445 3.257 20 30 DGEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000342722689 527323599 /nfs/dbraw/zinc/32/35/99/527323599.db2.gz OQPDHMBARNXXOJ-LBPRGKRZSA-N 0 3 312.816 3.334 20 30 DGEDHN C=CCCOCCN[C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359314242 527368617 /nfs/dbraw/zinc/36/86/17/527368617.db2.gz PJEVRYROISBANJ-INIZCTEOSA-N 0 3 304.390 3.413 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359840958 527389361 /nfs/dbraw/zinc/38/93/61/527389361.db2.gz OFIDRSBNKQKJDS-WMZOPIPTSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCC[C@@H](NC(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000435099311 527440972 /nfs/dbraw/zinc/44/09/72/527440972.db2.gz SYMKTLAKQRHWHO-GOSISDBHSA-N 0 3 315.461 3.477 20 30 DGEDHN C=C[C@@H](CO)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC000353575253 527443812 /nfs/dbraw/zinc/44/38/12/527443812.db2.gz KGYWVLRYKMOSRN-QWHCGFSZSA-N 0 3 302.187 3.176 20 30 DGEDHN C=CCC[C@@H](O)CN1CCC[C@H](OCc2ccccc2F)C1 ZINC000348231896 527456134 /nfs/dbraw/zinc/45/61/34/527456134.db2.gz IEZDMOAWAORUAL-SJORKVTESA-N 0 3 307.409 3.134 20 30 DGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663292 527457974 /nfs/dbraw/zinc/45/79/74/527457974.db2.gz XAZILHDYUMRHQA-GOEBONIOSA-N 0 3 307.434 3.460 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000427751792 527463461 /nfs/dbraw/zinc/46/34/61/527463461.db2.gz IFTDJCLHCHRSPN-MNEFBYGVSA-N 0 3 312.457 3.335 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000345706287 527465947 /nfs/dbraw/zinc/46/59/47/527465947.db2.gz FYSADNGCJKSXCY-MRXNPFEDSA-N 0 3 313.445 3.068 20 30 DGEDHN C=CCC[C@H](NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456734 527484157 /nfs/dbraw/zinc/48/41/57/527484157.db2.gz WTJUXVNAKYOFSN-BBWFWOEESA-N 0 3 306.450 3.376 20 30 DGEDHN C=CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)C1CC1 ZINC000345216485 527544082 /nfs/dbraw/zinc/54/40/82/527544082.db2.gz UOQVCMFGGRJCCN-CHWSQXEVSA-N 0 3 318.383 3.072 20 30 DGEDHN C=CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F)C1CC1 ZINC000345216486 527544170 /nfs/dbraw/zinc/54/41/70/527544170.db2.gz UOQVCMFGGRJCCN-OLZOCXBDSA-N 0 3 318.383 3.072 20 30 DGEDHN C=CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000357963367 527546669 /nfs/dbraw/zinc/54/66/69/527546669.db2.gz KIAWSVBJVOEBDX-INIZCTEOSA-N 0 3 316.420 3.215 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1csc(Br)c1 ZINC000429709941 527572883 /nfs/dbraw/zinc/57/28/83/527572883.db2.gz UBILMGOWEONCAO-UHFFFAOYSA-N 0 3 317.296 3.450 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000434895979 527635878 /nfs/dbraw/zinc/63/58/78/527635878.db2.gz OFMUQBJXBCMSHF-AOIWGVFYSA-N 0 3 312.457 3.454 20 30 DGEDHN C=CCN(CC=C)[C@H](CNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000338392207 527651329 /nfs/dbraw/zinc/65/13/29/527651329.db2.gz SBKZVBZIAUZMND-OAHLLOKOSA-N 0 3 304.394 3.100 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2OC)C12CCC2 ZINC000157124452 527802016 /nfs/dbraw/zinc/80/20/16/527802016.db2.gz LIWNTBLKCNUSNW-QZTJIDSGSA-N 0 3 314.429 3.346 20 30 DGEDHN CC(C)OC(=O)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000349245009 527804979 /nfs/dbraw/zinc/80/49/79/527804979.db2.gz OZUGCCVKPZRQJU-UAGQMJEPSA-N 0 3 300.402 3.351 20 30 DGEDHN CCC1CCC(N(CC(=O)N(CC)C[C@H](C)C#N)C2CC2)CC1 ZINC000339221226 527843978 /nfs/dbraw/zinc/84/39/78/527843978.db2.gz BSHOJBKQBUAPGB-KLAILNCOSA-N 0 3 319.493 3.428 20 30 DGEDHN CCCC(O)(CCC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433340677 528014979 /nfs/dbraw/zinc/01/49/79/528014979.db2.gz FTIGKSOTLGBAEW-KRWDZBQOSA-N 0 3 316.445 3.206 20 30 DGEDHN CC(C)C[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000130339116 528381475 /nfs/dbraw/zinc/38/14/75/528381475.db2.gz YSTIDVSHTTXTDW-SFHVURJKSA-N 0 3 313.445 3.444 20 30 DGEDHN CCN(CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000176035480 528528922 /nfs/dbraw/zinc/52/89/22/528528922.db2.gz DHCKUVKJGJBQJC-UHFFFAOYSA-N 0 3 308.425 3.201 20 30 DGEDHN CCCOc1ccc(CN(CCC)C(=O)C(C)C#N)cc1OC ZINC000347067589 528660828 /nfs/dbraw/zinc/66/08/28/528660828.db2.gz LFFMZOJGIFUXJB-AWEZNQCLSA-N 0 3 318.417 3.382 20 30 DGEDHN CC(C)Cn1cc(NC(=O)NCC(C)(C)N2CCCCC2)cn1 ZINC000331235239 528712291 /nfs/dbraw/zinc/71/22/91/528712291.db2.gz GSNSQHSYZIPHHX-UHFFFAOYSA-N 0 3 321.469 3.130 20 30 DGEDHN CCC(CC)n1nccc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000431127160 528917422 /nfs/dbraw/zinc/91/74/22/528917422.db2.gz ONDWWMMFVXHJFJ-CQSZACIVSA-N 0 3 311.389 3.141 20 30 DGEDHN CCC(CC)n1nccc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000431127158 528917949 /nfs/dbraw/zinc/91/79/49/528917949.db2.gz ONDWWMMFVXHJFJ-AWEZNQCLSA-N 0 3 311.389 3.141 20 30 DGEDHN CCOC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433366617 528923071 /nfs/dbraw/zinc/92/30/71/528923071.db2.gz ZQLOFJZXBCRSED-MSOLQXFVSA-N 0 3 314.429 3.034 20 30 DGEDHN CCN1CCC(N(C)C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000355562135 528969885 /nfs/dbraw/zinc/96/98/85/528969885.db2.gz ZLFCHGPUHXGZKW-QGZVFWFLSA-N 0 3 313.445 3.017 20 30 DGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cc2OC)C[C@@H]1OC ZINC000429284171 529108910 /nfs/dbraw/zinc/10/89/10/529108910.db2.gz JJBHSYICZHHULA-SJORKVTESA-N 0 3 302.418 3.250 20 30 DGEDHN CC1(C)CN(c2ccc(Cl)cc2)CCN1CCOCCC#N ZINC000339219263 529128894 /nfs/dbraw/zinc/12/88/94/529128894.db2.gz JDHOFKLDIZGTIU-UHFFFAOYSA-N 0 3 321.852 3.171 20 30 DGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000346663501 529256583 /nfs/dbraw/zinc/25/65/83/529256583.db2.gz GEMORKXWJFHUFO-WMZOPIPTSA-N 0 3 315.461 3.468 20 30 DGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N(CC)CCC#N ZINC000346659256 529256754 /nfs/dbraw/zinc/25/67/54/529256754.db2.gz AIUPZIWUGYPUJV-KRWDZBQOSA-N 0 3 301.434 3.222 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357850012 529350499 /nfs/dbraw/zinc/35/04/99/529350499.db2.gz LATDPBPOJGGGAO-YXJHDRRASA-N 0 3 301.434 3.042 20 30 DGEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C#N)cc1 ZINC000453458245 535807874 /nfs/dbraw/zinc/80/78/74/535807874.db2.gz VSZUWXJLZKXFCR-WMLDXEAASA-N 0 3 322.412 3.330 20 30 DGEDHN CC[C@H](CC#N)NC1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495895004 536056523 /nfs/dbraw/zinc/05/65/23/536056523.db2.gz RRZUOAQIISLBOT-SHARSMKWSA-N 0 3 309.454 3.352 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1cccc(F)c1C#N ZINC000301657105 536297035 /nfs/dbraw/zinc/29/70/35/536297035.db2.gz SFXJVZLWBQOWRJ-UHFFFAOYSA-N 0 3 322.387 3.137 20 30 DGEDHN C=CCNC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000181040620 546151073 /nfs/dbraw/zinc/15/10/73/546151073.db2.gz HDIMGNAVSBMNTK-QGZVFWFLSA-N 0 3 306.837 3.463 20 30 DGEDHN C=CCOCCNCc1ccc(Br)c2cccnc12 ZINC000311618446 546452437 /nfs/dbraw/zinc/45/24/37/546452437.db2.gz HNQGAAYRFSROTH-UHFFFAOYSA-N 0 3 321.218 3.290 20 30 DGEDHN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000328684562 546480913 /nfs/dbraw/zinc/48/09/13/546480913.db2.gz PTJLCEQIVREGCZ-UEKVPHQBSA-N 0 3 305.422 3.224 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513264979 546951461 /nfs/dbraw/zinc/95/14/61/546951461.db2.gz BAJNCDJVTFDOAJ-FUHWJXTLSA-N 0 3 300.446 3.494 20 30 DGEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594426722 547031877 /nfs/dbraw/zinc/03/18/77/547031877.db2.gz GEXXCYQPZGBWMB-GJZGRUSLSA-N 0 3 307.825 3.319 20 30 DGEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594426718 547032095 /nfs/dbraw/zinc/03/20/95/547032095.db2.gz GEXXCYQPZGBWMB-CABCVRRESA-N 0 3 307.825 3.319 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000668370415 547446604 /nfs/dbraw/zinc/44/66/04/547446604.db2.gz WZISCYXDSFIFRX-PIIMJCKOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H]3COC[C@]3(C)C2)ccc1OC ZINC000668594853 547488738 /nfs/dbraw/zinc/48/87/38/547488738.db2.gz HWVXEHKXPYMGAY-LPHOPBHVSA-N 0 3 317.429 3.118 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000668625364 547496677 /nfs/dbraw/zinc/49/66/77/547496677.db2.gz OPSMNCTUTIJDLF-CABCVRRESA-N 0 3 305.418 3.259 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1OC ZINC000668707052 547515637 /nfs/dbraw/zinc/51/56/37/547515637.db2.gz XAZOAJNTYNETCK-IRXDYDNUSA-N 0 3 317.429 3.118 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)[C@](C)(CO)C2)ccc1OC ZINC000668737720 547524469 /nfs/dbraw/zinc/52/44/69/547524469.db2.gz BMWLWMZYJZFOQL-KXBFYZLASA-N 0 3 319.445 3.100 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)c3ccccc32)CC1 ZINC000675099114 548152207 /nfs/dbraw/zinc/15/22/07/548152207.db2.gz LMEMOUBTPWCHHE-UHFFFAOYSA-N 0 3 313.445 3.144 20 30 DGEDHN C=C(C)COCCNCc1cnn(Cc2ccccc2Cl)c1 ZINC000675551995 548231606 /nfs/dbraw/zinc/23/16/06/548231606.db2.gz BTBBLHZKGKUESE-UHFFFAOYSA-N 0 3 319.836 3.267 20 30 DGEDHN C=CCC[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000676421148 548361592 /nfs/dbraw/zinc/36/15/92/548361592.db2.gz YZFFROZKINOEQI-IAGOWNOFSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000678837875 548776420 /nfs/dbraw/zinc/77/64/20/548776420.db2.gz NHDOSHSTPSAQOL-MRXNPFEDSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCOCCN[C@@H]1CCc2c1cc(Br)cc2F ZINC000679578528 548920709 /nfs/dbraw/zinc/92/07/09/548920709.db2.gz RGHWCFLMYXGHKH-CQSZACIVSA-N 0 3 314.198 3.368 20 30 DGEDHN C=CC[C@H](CO)NCc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC000680485219 549059355 /nfs/dbraw/zinc/05/93/55/549059355.db2.gz VPOYSGKPBXBRPJ-WMLDXEAASA-N 0 3 308.441 3.335 20 30 DGEDHN COCC#CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000682778899 549372812 /nfs/dbraw/zinc/37/28/12/549372812.db2.gz SGFWIJXDYPHXBZ-UHFFFAOYSA-N 0 3 301.308 3.060 20 30 DGEDHN CCn1nc(C)cc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000682995214 549410380 /nfs/dbraw/zinc/41/03/80/549410380.db2.gz RBVPFSIYOBZMIX-OAHLLOKOSA-N 0 3 304.353 3.250 20 30 DGEDHN C=CCSc1ccccc1NC(=O)CN[C@]1(CC)CCOC1 ZINC000683045114 549421711 /nfs/dbraw/zinc/42/17/11/549421711.db2.gz PUEYEBZNQDQKJH-QGZVFWFLSA-N 0 3 320.458 3.062 20 30 DGEDHN C=CCCCC[C@@H](C)NCc1c(Br)cnn1C ZINC000683774400 549534622 /nfs/dbraw/zinc/53/46/22/549534622.db2.gz PBEBVKSVQLKHPQ-LLVKDONJSA-N 0 3 300.244 3.407 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC[C@@H](Cc3ccc(C)cc3)C2)C1=O ZINC000685000028 549731645 /nfs/dbraw/zinc/73/16/45/549731645.db2.gz CHUZGAYYCOTHHM-RBUKOAKNSA-N 0 3 312.457 3.036 20 30 DGEDHN CC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCOCC1 ZINC000730419923 574529135 /nfs/dbraw/zinc/52/91/35/574529135.db2.gz FLJGGJRBHYWJST-LLVKDONJSA-N 0 3 318.373 3.428 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@@H](C)N(C)Cc1ccccc1 ZINC000731936831 574563184 /nfs/dbraw/zinc/56/31/84/574563184.db2.gz AQEONJSQWSCMCR-CTFRJJSNSA-N 0 3 312.413 3.340 20 30 DGEDHN N#Cc1ccc(NC2CCN(C[C@@H]3CCCO3)CC2)cc1Cl ZINC000731968776 574564047 /nfs/dbraw/zinc/56/40/47/574564047.db2.gz NEJUGJMIAJAFDW-INIZCTEOSA-N 0 3 319.836 3.267 20 30 DGEDHN CN(C)CCOc1ccc(N(C)Cc2cccc(C#N)c2)cc1 ZINC000732410872 574574005 /nfs/dbraw/zinc/57/40/05/574574005.db2.gz LIDRKXJYWBPBRH-UHFFFAOYSA-N 0 3 309.413 3.135 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000732470229 574574798 /nfs/dbraw/zinc/57/47/98/574574798.db2.gz WAKQUECJJHFMTC-MRXNPFEDSA-N 0 3 303.450 3.113 20 30 DGEDHN C#CCOc1ccccc1CNCCc1cccc(F)c1F ZINC000732821244 574583613 /nfs/dbraw/zinc/58/36/13/574583613.db2.gz ZRQNEGHCHGQRDZ-UHFFFAOYSA-N 0 3 301.336 3.309 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCSCC1 ZINC000733053576 574593355 /nfs/dbraw/zinc/59/33/55/574593355.db2.gz NYUYBDOAZWVVSB-CYBMUJFWSA-N 0 3 322.817 3.131 20 30 DGEDHN C#CCOc1ccccc1CNCCN1CCCC[C@H]1CC ZINC000733329838 574615600 /nfs/dbraw/zinc/61/56/00/574615600.db2.gz AGAAWQQWCBQZMQ-GOSISDBHSA-N 0 3 300.446 3.053 20 30 DGEDHN C#CCOc1ccc(CNC[C@H]2OCCc3ccccc32)cc1 ZINC000733327962 574616227 /nfs/dbraw/zinc/61/62/27/574616227.db2.gz NQKSDUQEVRPOEW-HXUWFJFHSA-N 0 3 307.393 3.102 20 30 DGEDHN COc1cccc(O)c1/C=N/C[C@H]1CCCN1Cc1ccccc1 ZINC000734096884 574650955 /nfs/dbraw/zinc/65/09/55/574650955.db2.gz SADRYGYUQBORCS-AQRZYSDFSA-N 0 3 324.424 3.484 20 30 DGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000735206112 574692466 /nfs/dbraw/zinc/69/24/66/574692466.db2.gz JDJXEEVMROAHCE-ZWNMCFTASA-N 0 3 308.740 3.483 20 30 DGEDHN C=CCCCOC(=O)C1CCN(c2cc(C)cc(C)c2)C1=O ZINC000735531816 574705302 /nfs/dbraw/zinc/70/53/02/574705302.db2.gz FMGQFDLKBMIARR-INIZCTEOSA-N 0 3 301.386 3.166 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc(F)cc3)nc21 ZINC000735790944 574714986 /nfs/dbraw/zinc/71/49/86/574714986.db2.gz GKCZSLSKOTXSBK-AWEZNQCLSA-N 0 3 307.328 3.429 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC000740737750 574940696 /nfs/dbraw/zinc/94/06/96/574940696.db2.gz VMEBMFSNOOYKAT-QGZVFWFLSA-N 0 3 312.457 3.174 20 30 DGEDHN CCN(CCOc1cccc(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000743867043 575067143 /nfs/dbraw/zinc/06/71/43/575067143.db2.gz RIHLWHAUFUJROV-HXUWFJFHSA-N 0 3 324.424 3.301 20 30 DGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccco1 ZINC000744027804 575069121 /nfs/dbraw/zinc/06/91/21/575069121.db2.gz DUDIAJISFPNKBH-MNOVXSKESA-N 0 3 316.744 3.384 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CC[C@@H](C)O3)nc21 ZINC000744159748 575075386 /nfs/dbraw/zinc/07/53/86/575075386.db2.gz DUTBGLLXONOXBV-HZSPNIEDSA-N 0 3 311.385 3.395 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CC[C@@H](C)O3)[nH]c21 ZINC000744159748 575075387 /nfs/dbraw/zinc/07/53/87/575075387.db2.gz DUTBGLLXONOXBV-HZSPNIEDSA-N 0 3 311.385 3.395 20 30 DGEDHN C#CCN(C[C@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000744213863 575079088 /nfs/dbraw/zinc/07/90/88/575079088.db2.gz QBVIKCKBPQOSLZ-KRWDZBQOSA-N 0 3 321.848 3.348 20 30 DGEDHN C=CCSc1nc2ccccc2n1CN1CCCO[C@H](C)C1 ZINC000738163039 575264921 /nfs/dbraw/zinc/26/49/21/575264921.db2.gz VVLJKACLVBWJMU-CQSZACIVSA-N 0 3 317.458 3.383 20 30 DGEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(OC)c2)CC1 ZINC000729942037 575267681 /nfs/dbraw/zinc/26/76/81/575267681.db2.gz GNDWWUCMEALSNF-UHFFFAOYSA-N 0 3 319.474 3.022 20 30 DGEDHN CC(=NN=C1CCN(Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC000745203545 575384350 /nfs/dbraw/zinc/38/43/50/575384350.db2.gz JMOOCWSXGGFYTB-HNNXBMFYSA-N 0 3 321.428 3.326 20 30 DGEDHN COc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1C#N ZINC000746733882 575472986 /nfs/dbraw/zinc/47/29/86/575472986.db2.gz KOJVQKHWLUSZFP-XQRVVYSFSA-N 0 3 323.352 3.278 20 30 DGEDHN Cc1ccccc1[C@H](CO)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000747100156 575496219 /nfs/dbraw/zinc/49/62/19/575496219.db2.gz BDQOPMDQIYXKOQ-KXBFYZLASA-N 0 3 310.397 3.109 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](COC)Cc2ccccc2)cc1 ZINC000747100536 575496308 /nfs/dbraw/zinc/49/63/08/575496308.db2.gz JWUHKDSHJXOSPL-LJQANCHMSA-N 0 3 309.409 3.046 20 30 DGEDHN CCc1ccc([C@H](CNC(=O)C#Cc2ccccc2)N(C)C)cc1 ZINC000747199731 575505534 /nfs/dbraw/zinc/50/55/34/575505534.db2.gz BKIWKOBSVIIRQV-FQEVSTJZSA-N 0 3 320.436 3.020 20 30 DGEDHN CC[C@H]1CCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747530325 575523668 /nfs/dbraw/zinc/52/36/68/575523668.db2.gz XXMSECDOVDPMGM-KRWDZBQOSA-N 0 3 313.445 3.425 20 30 DGEDHN CCCCCCCCCN(C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000747840851 575545399 /nfs/dbraw/zinc/54/53/99/575545399.db2.gz XAVLWFJQATWOCW-GOSISDBHSA-N 0 3 324.509 3.449 20 30 DGEDHN CC(C)(C)NC(=S)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000748781353 575606028 /nfs/dbraw/zinc/60/60/28/575606028.db2.gz VSMMIODIUDVJEE-CQSZACIVSA-N 0 3 310.511 3.034 20 30 DGEDHN C=C(Br)CN1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000749241724 575638142 /nfs/dbraw/zinc/63/81/42/575638142.db2.gz OQONRDNQIHXIOK-HZSPNIEDSA-N 0 3 301.272 3.232 20 30 DGEDHN CC1(C)CCC[C@H]1N(CC(=O)NCCC#N)Cc1ccccc1 ZINC000750063373 575701842 /nfs/dbraw/zinc/70/18/42/575701842.db2.gz VDMNRHIZOXYYQM-QGZVFWFLSA-N 0 3 313.445 3.097 20 30 DGEDHN N#CCCNC(=O)CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000750615442 575742297 /nfs/dbraw/zinc/74/22/97/575742297.db2.gz KBKDQKDIVBDGIP-UHFFFAOYSA-N 0 3 319.836 3.119 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000750880745 575757667 /nfs/dbraw/zinc/75/76/67/575757667.db2.gz WNRODNOICMIDOR-HNAYVOBHSA-N 0 3 312.457 3.064 20 30 DGEDHN CC(C)[C@@H](C#N)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000751161277 575773170 /nfs/dbraw/zinc/77/31/70/575773170.db2.gz QEMTYRIEPSNXCN-QGZVFWFLSA-N 0 3 300.402 3.377 20 30 DGEDHN C#Cc1cccc(NC(=S)NCc2cccc(CN(C)C)c2)c1 ZINC000726457754 576025354 /nfs/dbraw/zinc/02/53/54/576025354.db2.gz VGNXEKIGQCGUIG-UHFFFAOYSA-N 0 3 323.465 3.216 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC000727953695 576155650 /nfs/dbraw/zinc/15/56/50/576155650.db2.gz MYFARYOLOJTQLE-PBHICJAKSA-N 0 3 314.429 3.368 20 30 DGEDHN N#CC(C(=O)C[C@H]1CCOC1)c1nc2ccccc2n1C(F)F ZINC000740535209 576198007 /nfs/dbraw/zinc/19/80/07/576198007.db2.gz LAVHIPCNDQTLQU-MNOVXSKESA-N 0 3 319.311 3.034 20 30 DGEDHN C#Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)cn1 ZINC000728812140 576208102 /nfs/dbraw/zinc/20/81/02/576208102.db2.gz QFOULVTVMSFVBX-UHFFFAOYSA-N 0 3 319.408 3.301 20 30 DGEDHN C=CCN(CC=C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916622671 620639648 /nfs/dbraw/zinc/63/96/48/620639648.db2.gz GDHUZIOFBNEPSS-ZDUSSCGKSA-N 0 3 311.410 3.147 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000916877735 620648902 /nfs/dbraw/zinc/64/89/02/620648902.db2.gz WONFUSBXSKANLA-KFWWJZLASA-N 0 3 304.434 3.240 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2ccccc2C)c1 ZINC000916897943 620649236 /nfs/dbraw/zinc/64/92/36/620649236.db2.gz RWUIEFYJIKJUPR-INIZCTEOSA-N 0 3 322.364 3.030 20 30 DGEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916911602 620650072 /nfs/dbraw/zinc/65/00/72/620650072.db2.gz NPGKYVMVCJWBAE-VIFPVBQESA-N 0 3 314.719 3.423 20 30 DGEDHN CC(C)COCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910857 620649925 /nfs/dbraw/zinc/64/99/25/620649925.db2.gz JIMMYVROTOZGKC-GFCCVEGCSA-N 0 3 322.792 3.050 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)C ZINC000918060585 620695679 /nfs/dbraw/zinc/69/56/79/620695679.db2.gz OOUFQCFBTLWFNB-OAHLLOKOSA-N 0 3 321.490 3.491 20 30 DGEDHN Cc1cc(C#N)cc(C)c1C(=O)NCc1ccccc1CN(C)C ZINC000891684189 617868022 /nfs/dbraw/zinc/86/80/22/617868022.db2.gz ASEBQBCPNLPEJJ-UHFFFAOYSA-N 0 3 321.424 3.167 20 30 DGEDHN C=C1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000891895489 617922095 /nfs/dbraw/zinc/92/20/95/617922095.db2.gz KQHZFNUQBLKVFS-GOSISDBHSA-N 0 3 313.445 3.185 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CCCCO1 ZINC000111943088 620771584 /nfs/dbraw/zinc/77/15/84/620771584.db2.gz PSWUTDWVCZLBCQ-ZIAGYGMSSA-N 0 3 311.385 3.099 20 30 DGEDHN N#CC(C(=O)C1C[C@H]2CC[C@@H](C1)S2)c1nc2ccccc2[nH]1 ZINC000892420870 618062102 /nfs/dbraw/zinc/06/21/02/618062102.db2.gz ZDHKLNUMNUFHAI-PSEXLTFBSA-N 0 3 311.410 3.413 20 30 DGEDHN N#CC(C(=O)[C@@H]1CCOC2(CCC2)C1)c1nc2ccccc2[nH]1 ZINC000892419854 618062278 /nfs/dbraw/zinc/06/22/78/618062278.db2.gz IUGQMKNURGVFHP-CHWSQXEVSA-N 0 3 309.369 3.088 20 30 DGEDHN Cc1cc2scc(CC(=O)C(C#N)C(=O)NC(C)C)c2s1 ZINC000892499333 618082867 /nfs/dbraw/zinc/08/28/67/618082867.db2.gz VEOLFXODYXCABY-LLVKDONJSA-N 0 3 320.439 3.047 20 30 DGEDHN N#CC(C(=O)CCF)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000892499636 618083573 /nfs/dbraw/zinc/08/35/73/618083573.db2.gz ZRQFOCLDGZZGQO-JTQLQIEISA-N 0 3 303.120 3.000 20 30 DGEDHN CC(=O)c1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000920116007 620785416 /nfs/dbraw/zinc/78/54/16/620785416.db2.gz WALMTRYRAUYSDD-HNNXBMFYSA-N 0 3 318.332 3.449 20 30 DGEDHN C=CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1CC1 ZINC000894456673 618338490 /nfs/dbraw/zinc/33/84/90/618338490.db2.gz RMPYCUQQMGKYRA-LLVKDONJSA-N 0 3 304.381 3.185 20 30 DGEDHN C=CCC[C@@H](CO)NCc1nc(-c2cccc(OC)c2)cs1 ZINC000894768488 618448626 /nfs/dbraw/zinc/44/86/26/618448626.db2.gz ANEYAIHHQOEYQQ-AWEZNQCLSA-N 0 3 318.442 3.235 20 30 DGEDHN C[C@@H](CC(C)(C)C#N)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000925524032 618461063 /nfs/dbraw/zinc/46/10/63/618461063.db2.gz WYOITSPPHGLMCW-NSHDSACASA-N 0 3 301.369 3.029 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895018960 618514263 /nfs/dbraw/zinc/51/42/63/618514263.db2.gz VSIAZEHDWYSBBF-XYPHTWIQSA-N 0 3 318.392 3.185 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@H](c2nccs2)C1 ZINC000895584816 618802441 /nfs/dbraw/zinc/80/24/41/618802441.db2.gz SZVKIRNFHXGFBC-AWEZNQCLSA-N 0 3 312.442 3.070 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000840708667 618982952 /nfs/dbraw/zinc/98/29/52/618982952.db2.gz ICRHQEYFOWDAPV-KLHWEVKASA-N 0 3 302.418 3.391 20 30 DGEDHN O=C1C=COC2(CCN(Cc3ccc4c(c3)CCCC4)CC2)C1 ZINC000897599768 619164845 /nfs/dbraw/zinc/16/48/45/619164845.db2.gz VDHNSJQILYDGST-UHFFFAOYSA-N 0 3 311.425 3.403 20 30 DGEDHN O=C1C=COC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC000897602456 619165749 /nfs/dbraw/zinc/16/57/49/619165749.db2.gz PXQSUWUJKDXKHR-UHFFFAOYSA-N 0 3 323.392 3.383 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)cc1 ZINC000897731039 619179968 /nfs/dbraw/zinc/17/99/68/619179968.db2.gz VYAIESMVCFIEKX-YOEHRIQHSA-N 0 3 310.397 3.120 20 30 DGEDHN C#CCOc1ccccc1CN1CC[C@H](Cc2nccs2)C1 ZINC000898071928 619212981 /nfs/dbraw/zinc/21/29/81/619212981.db2.gz UWSBDCBUFNSQAC-OAHLLOKOSA-N 0 3 312.438 3.220 20 30 DGEDHN COC(=O)[C@@H](CNCc1csc(C#N)c1)CC1CCCC1 ZINC000898347341 619238443 /nfs/dbraw/zinc/23/84/43/619238443.db2.gz MRDZERWZKJPUMY-CQSZACIVSA-N 0 3 306.431 3.079 20 30 DGEDHN COC(=O)[C@H](CNCc1csc(C#N)c1)CC1CCCC1 ZINC000898347340 619238623 /nfs/dbraw/zinc/23/86/23/619238623.db2.gz MRDZERWZKJPUMY-AWEZNQCLSA-N 0 3 306.431 3.079 20 30 DGEDHN Cc1ccc(CN[C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1C#N ZINC000926962035 619253013 /nfs/dbraw/zinc/25/30/13/619253013.db2.gz LIBHYRDNWOLHQC-OAHLLOKOSA-N 0 3 321.424 3.419 20 30 DGEDHN C=CC(C)(C)CC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899046364 619309698 /nfs/dbraw/zinc/30/96/98/619309698.db2.gz QCJLQANYHLSUCD-UHFFFAOYSA-N 0 3 320.824 3.252 20 30 DGEDHN N#CCCN(CC1CC1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900565389 619436996 /nfs/dbraw/zinc/43/69/96/619436996.db2.gz ALEFCKRQSIHHMU-UHFFFAOYSA-N 0 3 310.401 3.057 20 30 DGEDHN C[C@H]1CC(NN=C2CCCCc3ccc(N)cc32)C[C@H](C)O1 ZINC000901302211 619483012 /nfs/dbraw/zinc/48/30/12/619483012.db2.gz JVEBKHLMLZJSAK-STQMWFEESA-N 0 3 301.434 3.245 20 30 DGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)N1CCc2ccccc21 ZINC000902770052 619673433 /nfs/dbraw/zinc/67/34/33/619673433.db2.gz BVHSNKPWBBHYHR-CABCVRRESA-N 0 3 306.413 3.055 20 30 DGEDHN COc1cccc(O[C@@H](C)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902821675 619679303 /nfs/dbraw/zinc/67/93/03/619679303.db2.gz KGOJVIMCSJQFMB-UONOGXRCSA-N 0 3 311.385 3.080 20 30 DGEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902848486 619683884 /nfs/dbraw/zinc/68/38/84/619683884.db2.gz RFLKTFGYYDWPIC-VFVRVIDISA-N 0 3 313.376 3.255 20 30 DGEDHN C[C@H](O)[C@@](C)(CN[C@@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000902969704 619696074 /nfs/dbraw/zinc/69/60/74/619696074.db2.gz GBMAPLFBWLELAV-TWOQFEAHSA-N 0 3 323.440 3.234 20 30 DGEDHN CC[C@@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(C#N)c1 ZINC000903088548 619713806 /nfs/dbraw/zinc/71/38/06/619713806.db2.gz KZFRQGYMCPGOAD-VXGBXAGGSA-N 0 3 322.277 3.157 20 30 DGEDHN CCN(CC)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1F ZINC000905082779 619968239 /nfs/dbraw/zinc/96/82/39/619968239.db2.gz XBDDMOBARFYKCM-KAQJVSAMSA-N 0 3 314.364 3.104 20 30 DGEDHN CCCCn1nc(C)c(/C=C2/C(=O)c3ncnn3C2C)c1Cl ZINC000905081855 619968324 /nfs/dbraw/zinc/96/83/24/619968324.db2.gz TYDBQMADVHWLPA-CEXMDJMXSA-N 0 3 319.796 3.077 20 30 DGEDHN CC1/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)c2ncnn21 ZINC000905081625 619968376 /nfs/dbraw/zinc/96/83/76/619968376.db2.gz SDZPTFMRVUSJSR-KWWJGWKXSA-N 0 3 308.385 3.109 20 30 DGEDHN CC1/C(=C/c2ccccc2OC2CCCC2)C(=O)c2ncnn21 ZINC000905080889 619968385 /nfs/dbraw/zinc/96/83/85/619968385.db2.gz NBPAWTZJJCMLTL-GQVHDAKQSA-N 0 3 309.369 3.440 20 30 DGEDHN CCCCn1nc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1Cl ZINC000905081860 619968400 /nfs/dbraw/zinc/96/84/00/619968400.db2.gz TYDBQMADVHWLPA-VPMLRQHESA-N 0 3 319.796 3.077 20 30 DGEDHN Cc1sc(/C=C2/C(=O)c3ncnn3C2C)cc1Br ZINC000905085628 619968595 /nfs/dbraw/zinc/96/85/95/619968595.db2.gz OTHLKEICKJZZLB-WRIJIYQJSA-N 0 3 324.203 3.251 20 30 DGEDHN CC1(C)CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)[C@H]1C#N ZINC000907763948 620172276 /nfs/dbraw/zinc/17/22/76/620172276.db2.gz VPGDHFDRZNNEDQ-INIZCTEOSA-N 0 3 324.428 3.445 20 30 DGEDHN C#CC[C@@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000911515145 620336110 /nfs/dbraw/zinc/33/61/10/620336110.db2.gz GGBVFGUGCBFDAT-OAHLLOKOSA-N 0 3 309.413 3.166 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000911989092 620357597 /nfs/dbraw/zinc/35/75/97/620357597.db2.gz DJNUDPOCUKUIAJ-ZDUSSCGKSA-N 0 3 300.324 3.005 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OCC)ccc1OCC ZINC000912061835 620361131 /nfs/dbraw/zinc/36/11/31/620361131.db2.gz XYDSHYRDYSSMPT-AWEZNQCLSA-N 0 3 306.406 3.106 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000912143518 620369862 /nfs/dbraw/zinc/36/98/62/620369862.db2.gz LIXAHTHVJGWDOC-KBPBESRZSA-N 0 3 308.422 3.162 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000912156058 620370564 /nfs/dbraw/zinc/37/05/64/620370564.db2.gz OTWIGJNTUJWDNN-LBPRGKRZSA-N 0 3 308.451 3.208 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000912213816 620373265 /nfs/dbraw/zinc/37/32/65/620373265.db2.gz GPQODFBHYPZGDK-GFCCVEGCSA-N 0 3 302.296 3.207 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000912372069 620383691 /nfs/dbraw/zinc/38/36/91/620383691.db2.gz CMCRWURPPVLUHX-RISCZKNCSA-N 0 3 312.360 3.149 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NOC[C@H]1CCOC1 ZINC000788032652 620558837 /nfs/dbraw/zinc/55/88/37/620558837.db2.gz CMDXYVLJQJGPKD-RXOMAGIPSA-N 0 3 300.402 3.337 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1cc(F)ccc1C#N ZINC000754867491 620584711 /nfs/dbraw/zinc/58/47/11/620584711.db2.gz CCPRMQYVZJFDNM-UHFFFAOYSA-N 0 3 318.392 3.394 20 30 DGEDHN CCOc1cccc(/C=N\[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000920944400 620828554 /nfs/dbraw/zinc/82/85/54/620828554.db2.gz DUDBUBGGXDQPDU-PKIWBCANSA-N 0 3 324.424 3.484 20 30 DGEDHN CCOc1ccc(/C=N\[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000920945458 620829517 /nfs/dbraw/zinc/82/95/17/620829517.db2.gz ZRRKXJVNDLAHKU-LZAZYHHXSA-N 0 3 324.424 3.484 20 30 DGEDHN CN(C)CCN(C(=O)Nc1cc(C#N)ccc1F)C1CCCC1 ZINC000888360389 620919837 /nfs/dbraw/zinc/91/98/37/620919837.db2.gz JIGIMSQAKUEKOQ-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN CC(C)(C)OC(=O)N(CCNCc1csc(C#N)c1)C1CC1 ZINC000921665287 620929426 /nfs/dbraw/zinc/92/94/26/620929426.db2.gz CKQPOMKOPIJFQL-UHFFFAOYSA-N 0 3 321.446 3.109 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1csc(C#N)c1 ZINC000921711522 620939241 /nfs/dbraw/zinc/93/92/41/620939241.db2.gz DUHDAABXJBYMFY-ZDUSSCGKSA-N 0 3 321.446 3.109 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CNC[C@H](O)c1c(F)cccc1F ZINC000921767822 620946966 /nfs/dbraw/zinc/94/69/66/620946966.db2.gz WNJMDJLAVUXSSG-KRWDZBQOSA-N 0 3 316.351 3.277 20 30 DGEDHN C[C@](O)(CNCc1csc(C#N)c1)c1cccc(Cl)c1 ZINC000922000505 620979115 /nfs/dbraw/zinc/97/91/15/620979115.db2.gz LXDFNDYELZGTOT-HNNXBMFYSA-N 0 3 306.818 3.270 20 30 DGEDHN C#CCN(C(=O)NCCC1=CCCCCC1)C1CCN(C)CC1 ZINC000922005881 620979592 /nfs/dbraw/zinc/97/95/92/620979592.db2.gz YHPNONUOXUGZPJ-UHFFFAOYSA-N 0 3 317.477 3.006 20 30 DGEDHN C=CCCC(C)(C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000856373027 620989807 /nfs/dbraw/zinc/98/98/07/620989807.db2.gz WODASBIZSZFDNR-CABCVRRESA-N 0 3 301.386 3.152 20 30 DGEDHN C[C@@H](NCc1csc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000922143206 620995052 /nfs/dbraw/zinc/99/50/52/620995052.db2.gz HLXFIUOHCVPBRU-BMIGLBTASA-N 0 3 304.440 3.473 20 30 DGEDHN C[C@H](COc1c(F)cccc1F)NCc1csc(C#N)c1 ZINC000922245048 621012420 /nfs/dbraw/zinc/01/24/20/621012420.db2.gz QWRKZYSNBHKRPZ-SNVBAGLBSA-N 0 3 308.353 3.455 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858015588 621145518 /nfs/dbraw/zinc/14/55/18/621145518.db2.gz YBKWLCVBNOBIFZ-LJQANCHMSA-N 0 3 319.408 3.484 20 30 DGEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc21)C(=O)NC1CCCCC1 ZINC000115903469 621157939 /nfs/dbraw/zinc/15/79/39/621157939.db2.gz LOQFBGOIQIUOBX-MAUKXSAKSA-N 0 3 324.424 3.264 20 30 DGEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000858335621 621177432 /nfs/dbraw/zinc/17/74/32/621177432.db2.gz AIKRKADITOGTBN-HOCLYGCPSA-N 0 3 305.418 3.000 20 30 DGEDHN C=CCCCCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000838593018 621266075 /nfs/dbraw/zinc/26/60/75/621266075.db2.gz ZMFVMWGXCXCFGP-INIZCTEOSA-N 0 3 307.482 3.249 20 30 DGEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(C)c(C#N)c1 ZINC000859533111 621287607 /nfs/dbraw/zinc/28/76/07/621287607.db2.gz PFMQFADYLUQMRA-UHFFFAOYSA-N 0 3 317.433 3.213 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000103330352 621348733 /nfs/dbraw/zinc/34/87/33/621348733.db2.gz VELCLLQSQCCBOV-JKSUJKDBSA-N 0 3 300.402 3.050 20 30 DGEDHN CN(C)c1ccc(CN2CCc3c(CC#N)cccc3C2)cc1 ZINC000860108659 621367447 /nfs/dbraw/zinc/36/74/47/621367447.db2.gz GDOJBFDRHAUKEW-UHFFFAOYSA-N 0 3 305.425 3.377 20 30 DGEDHN CN1CCc2cc(C=NNCc3cnc4ccccc4c3)ccc21 ZINC000752734092 621406997 /nfs/dbraw/zinc/40/69/97/621406997.db2.gz MAJUFVDWMMMHRV-UHFFFAOYSA-N 0 3 316.408 3.351 20 30 DGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000860472514 621408584 /nfs/dbraw/zinc/40/85/84/621408584.db2.gz BNPSGFLFPRJNLJ-HUUCEWRRSA-N 0 3 318.804 3.211 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(C)CCOCC2)c([O-])c1 ZINC000753139299 621427607 /nfs/dbraw/zinc/42/76/07/621427607.db2.gz SBOATTYJVLYNAK-CPNJWEJPSA-N 0 3 304.434 3.474 20 30 DGEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000860779477 621442271 /nfs/dbraw/zinc/44/22/71/621442271.db2.gz CGSIVYDDHUIHTE-RISCZKNCSA-N 0 3 312.291 3.092 20 30 DGEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000753533241 621446531 /nfs/dbraw/zinc/44/65/31/621446531.db2.gz NIYWQHWJMKCREY-NSHDSACASA-N 0 3 313.744 3.005 20 30 DGEDHN CC(C)(C)C(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000753703941 621461214 /nfs/dbraw/zinc/46/12/14/621461214.db2.gz DMVRPHDPSOJPGU-UHFFFAOYSA-N 0 3 314.429 3.407 20 30 DGEDHN CC(C)N1CC(N=Nc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000754253156 621499338 /nfs/dbraw/zinc/49/93/38/621499338.db2.gz ATPWOMXXZUYZIH-JTQLQIEISA-N 0 3 300.328 3.228 20 30 DGEDHN CCCCCCCCCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861710404 621534608 /nfs/dbraw/zinc/53/46/08/621534608.db2.gz PCVHZAYICORYNW-ROUUACIJSA-N 0 3 324.509 3.185 20 30 DGEDHN CCCCCCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000862360048 621577938 /nfs/dbraw/zinc/57/79/38/621577938.db2.gz VEOIQSSQLGZWMQ-SFHVURJKSA-N 0 3 317.477 3.380 20 30 DGEDHN C#CC[C@@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000862444442 621591016 /nfs/dbraw/zinc/59/10/16/621591016.db2.gz AKGIIVDCRBEJTO-GFCCVEGCSA-N 0 3 301.340 3.200 20 30 DGEDHN C#CC[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000862578981 621603970 /nfs/dbraw/zinc/60/39/70/621603970.db2.gz NDLYZXIJSNJVEB-QGZVFWFLSA-N 0 3 310.441 3.158 20 30 DGEDHN C=C(Br)CN[C@H](C)CCc1ccc(OC)c(O)c1 ZINC000756099911 621615009 /nfs/dbraw/zinc/61/50/09/621615009.db2.gz GQADHBITYKSPBS-LLVKDONJSA-N 0 3 314.223 3.220 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000863038542 621634492 /nfs/dbraw/zinc/63/44/92/621634492.db2.gz SCVVRPLILWGRME-IBGZPJMESA-N 0 3 312.457 3.154 20 30 DGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000757856011 621743528 /nfs/dbraw/zinc/74/35/28/621743528.db2.gz LVAREZFPUUMTFF-UPJWGTAASA-N 0 3 313.426 3.345 20 30 DGEDHN Cc1cccc(CC2CN(C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000759043938 621820773 /nfs/dbraw/zinc/82/07/73/621820773.db2.gz AAMMAPWSRXVYQI-FQEVSTJZSA-N 0 3 306.409 3.075 20 30 DGEDHN Cc1ccc(N(C)C(C)C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000760358277 621935376 /nfs/dbraw/zinc/93/53/76/621935376.db2.gz OUFOBIPCFALKHH-OAHLLOKOSA-N 0 3 308.385 3.120 20 30 DGEDHN N#Cc1csc(CNC[C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000865781484 621994594 /nfs/dbraw/zinc/99/45/94/621994594.db2.gz ATYNRIQJSCJLQP-GXSJLCMTSA-N 0 3 301.337 3.249 20 30 DGEDHN CCCOc1ccc(CN=Nc2cnn(C)c2)cc1OCC ZINC000761884637 622036679 /nfs/dbraw/zinc/03/66/79/622036679.db2.gz JIRWLVXMRHCXFT-UHFFFAOYSA-N 0 3 302.378 3.054 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)c(F)c1 ZINC000762615976 622087084 /nfs/dbraw/zinc/08/70/84/622087084.db2.gz RUGRBUNPJFIRQQ-KFWWJZLASA-N 0 3 308.447 3.167 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)c(F)c1 ZINC000762615975 622087279 /nfs/dbraw/zinc/08/72/79/622087279.db2.gz RUGRBUNPJFIRQQ-ILXRZTDVSA-N 0 3 308.447 3.167 20 30 DGEDHN N#CC(C(=O)CC/C=C/c1ccccc1)C(=O)NC1CCCC1 ZINC000121840489 622185050 /nfs/dbraw/zinc/18/50/50/622185050.db2.gz XXQVVDTXGIEDNL-PEJPJJPESA-N 0 3 310.397 3.248 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N(C)C)nc2)cc1 ZINC000764865588 622227938 /nfs/dbraw/zinc/22/79/38/622227938.db2.gz VCYIYZZKLIEOLL-OAHLLOKOSA-N 0 3 309.413 3.010 20 30 DGEDHN C#C[C@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805902080 625557046 /nfs/dbraw/zinc/55/70/46/625557046.db2.gz HODYFALHYIBPAB-SFHVURJKSA-N 0 3 311.425 3.244 20 30 DGEDHN C#CCCCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000766922717 622362319 /nfs/dbraw/zinc/36/23/19/622362319.db2.gz LEGXYGXTARTSKX-MRXNPFEDSA-N 0 3 310.397 3.040 20 30 DGEDHN Cc1cccc(CO[C@@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000870134811 622436494 /nfs/dbraw/zinc/43/64/94/622436494.db2.gz PFSYBWSWUHGAFL-WMLDXEAASA-N 0 3 323.396 3.183 20 30 DGEDHN C=CCN(Cc1ccccc1OCC(=O)N1CCCC1)C(C)C ZINC000768547127 622463965 /nfs/dbraw/zinc/46/39/65/622463965.db2.gz IYCMVXDSZSAHMD-UHFFFAOYSA-N 0 3 316.445 3.084 20 30 DGEDHN C#CCOc1ccc(CN(C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000768783451 622476778 /nfs/dbraw/zinc/47/67/78/622476778.db2.gz UZPJZDIBAOUFPJ-UHFFFAOYSA-N 0 3 323.392 3.117 20 30 DGEDHN C=CCC1(COC(=O)c2cccc(CN(C)C)c2)CCOCC1 ZINC000870811922 622515433 /nfs/dbraw/zinc/51/54/33/622515433.db2.gz UIAILNUOGNIKAK-UHFFFAOYSA-N 0 3 317.429 3.278 20 30 DGEDHN CC[C@H](NCc1ccc(C#N)cc1)C(=O)N(C)c1ccc(C)cc1 ZINC000871870175 622723895 /nfs/dbraw/zinc/72/38/95/622723895.db2.gz DXWHCPNNBUNUHP-IBGZPJMESA-N 0 3 321.424 3.398 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](OC2CCC2)CC1 ZINC000872276638 622878436 /nfs/dbraw/zinc/87/84/36/622878436.db2.gz RVMYVGBEOZMKAL-AEFFLSMTSA-N 0 3 322.493 3.223 20 30 DGEDHN C#CCC(C)(C)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805912328 625607463 /nfs/dbraw/zinc/60/74/63/625607463.db2.gz URQJPUDCTOPQQD-UHFFFAOYSA-N 0 3 313.441 3.491 20 30 DGEDHN N#Cc1ccc(CNC[C@]2(O)CCCc3ccccc32)c(F)c1 ZINC000772926756 622954604 /nfs/dbraw/zinc/95/46/04/622954604.db2.gz GIDHTVLYJWIRLQ-LJQANCHMSA-N 0 3 310.372 3.011 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1cccc(F)c1 ZINC000772932590 622954840 /nfs/dbraw/zinc/95/48/40/622954840.db2.gz ZIKWHVIIYPTGCG-PIGZYNQJSA-N 0 3 302.324 3.048 20 30 DGEDHN C#CCSCCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000773011895 622966177 /nfs/dbraw/zinc/96/61/77/622966177.db2.gz YRBRPAYINLGTPU-CQSZACIVSA-N 0 3 317.376 3.349 20 30 DGEDHN C#CCCCCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000773231021 623002223 /nfs/dbraw/zinc/00/22/23/623002223.db2.gz GATQQUWXEGWLQQ-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN C=CCOc1ccccc1CNC[C@H]1COC2(CCCC2)O1 ZINC000773412767 623024568 /nfs/dbraw/zinc/02/45/68/623024568.db2.gz CJCHEZSWLONCKF-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN C#C[C@H]1CC[C@H](NCc2ncc(Br)cc2F)CC1 ZINC000873198182 623072562 /nfs/dbraw/zinc/07/25/62/623072562.db2.gz WTZGMLMBVQXWMU-UMSPYCQHSA-N 0 3 311.198 3.265 20 30 DGEDHN C=CCCCN(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774634155 623168130 /nfs/dbraw/zinc/16/81/30/623168130.db2.gz AHEBPCVCKSYCMI-UHFFFAOYSA-N 0 3 308.769 3.453 20 30 DGEDHN C=CC[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccncc1 ZINC000775310610 623251514 /nfs/dbraw/zinc/25/15/14/623251514.db2.gz KIKPHOZZQSODNO-GOSISDBHSA-N 0 3 321.424 3.398 20 30 DGEDHN C#CC[C@@H](NC[C@@H](O)COc1c(C)cccc1C)c1ccccc1 ZINC000775398786 623267518 /nfs/dbraw/zinc/26/75/18/623267518.db2.gz LULPTIIUCDDSQR-WOJBJXKFSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)COc1ccccc1C)c1ccccc1 ZINC000775399797 623268722 /nfs/dbraw/zinc/26/87/22/623268722.db2.gz UOQBZJCAWPMYEG-MOPGFXCFSA-N 0 3 309.409 3.089 20 30 DGEDHN N#CCCNC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000775526793 623284986 /nfs/dbraw/zinc/28/49/86/623284986.db2.gz KAXJMAOIDYONRE-KRWDZBQOSA-N 0 3 319.836 3.191 20 30 DGEDHN CC(C)C[C@H](CO)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000775755199 623325972 /nfs/dbraw/zinc/32/59/72/623325972.db2.gz XSJNYDODYQXNMY-OAHLLOKOSA-N 0 3 310.825 3.081 20 30 DGEDHN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776168272 623388158 /nfs/dbraw/zinc/38/81/58/623388158.db2.gz HYAJZNDMQBNVCR-CJNGLKHVSA-N 0 3 316.426 3.343 20 30 DGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(C(F)(F)F)cn1 ZINC000776183452 623391653 /nfs/dbraw/zinc/39/16/53/623391653.db2.gz NHROQTNJFCTNCC-UHFFFAOYSA-N 0 3 309.295 3.007 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)[C@@H](C)CC ZINC000778170083 623619679 /nfs/dbraw/zinc/61/96/79/623619679.db2.gz JPQFGWSWPBRODE-GUYCJALGSA-N 0 3 309.837 3.239 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC1(C)CCOCC1 ZINC000778176710 623620576 /nfs/dbraw/zinc/62/05/76/623620576.db2.gz KVZFJRKFEXPPLK-UHFFFAOYSA-N 0 3 307.821 3.258 20 30 DGEDHN C#CCN(Cc1c[nH]c2ncncc12)[C@@H]1CCc2ccccc21 ZINC000876513943 623632172 /nfs/dbraw/zinc/63/21/72/623632172.db2.gz RTVAWTPZMOOPPF-GOSISDBHSA-N 0 3 302.381 3.032 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000876544740 623639572 /nfs/dbraw/zinc/63/95/72/623639572.db2.gz XSBDQPDJXVZUJL-JTQLQIEISA-N 0 3 306.765 3.410 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000876556253 623642643 /nfs/dbraw/zinc/64/26/43/623642643.db2.gz KLUWXDRKIRDJAO-GFCCVEGCSA-N 0 3 321.635 3.422 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876557343 623643742 /nfs/dbraw/zinc/64/37/42/623643742.db2.gz FLCAYMXOYIZBPG-JOYOIKCWSA-N 0 3 320.742 3.353 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000876561867 623644554 /nfs/dbraw/zinc/64/45/54/623644554.db2.gz MFXGKNCGTSNKSD-ZIAGYGMSSA-N 0 3 313.228 3.377 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000876566974 623646927 /nfs/dbraw/zinc/64/69/27/623646927.db2.gz YQFRWXMDQBPZLQ-HOTGVXAUSA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000876566973 623647027 /nfs/dbraw/zinc/64/70/27/623647027.db2.gz YQFRWXMDQBPZLQ-CVEARBPZSA-N 0 3 322.836 3.219 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000876570349 623647783 /nfs/dbraw/zinc/64/77/83/623647783.db2.gz AQFZDTLXEVIFHN-NSHDSACASA-N 0 3 322.714 3.036 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(CC)cc1)C1CC1 ZINC000876585372 623651424 /nfs/dbraw/zinc/65/14/24/623651424.db2.gz JPLJMDWDQQAPJO-INIZCTEOSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000876590730 623653443 /nfs/dbraw/zinc/65/34/43/623653443.db2.gz ASJAGFAOJMXBRU-KBPBESRZSA-N 0 3 313.228 3.473 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000876598159 623657030 /nfs/dbraw/zinc/65/70/30/623657030.db2.gz LDPLMTMPZVWWTP-LLVKDONJSA-N 0 3 307.781 3.360 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(NC(=O)CCC)c1C ZINC000876615805 623660273 /nfs/dbraw/zinc/66/02/73/623660273.db2.gz LRFDNSNNCMODMX-LBPRGKRZSA-N 0 3 323.824 3.142 20 30 DGEDHN C#CCCCCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000876623052 623662206 /nfs/dbraw/zinc/66/22/06/623662206.db2.gz BEMUVLZRMCAOEJ-UHFFFAOYSA-N 0 3 318.486 3.480 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000876628701 623664081 /nfs/dbraw/zinc/66/40/81/623664081.db2.gz SMTPJSUXLOHNTC-CYBMUJFWSA-N 0 3 315.244 3.204 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCc1cccc2ccccc21 ZINC000876630316 623664821 /nfs/dbraw/zinc/66/48/21/623664821.db2.gz XBMCARWRGIQIJX-QGZVFWFLSA-N 0 3 316.832 3.311 20 30 DGEDHN C#CCNC(=O)C1CCN(C/C=C/c2cc(C)c(C)cc2C)CC1 ZINC000876634249 623664993 /nfs/dbraw/zinc/66/49/93/623664993.db2.gz LPACTQKVEZJJQH-VOTSOKGWSA-N 0 3 324.468 3.086 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(SCC)cc1 ZINC000876646748 623669369 /nfs/dbraw/zinc/66/93/69/623669369.db2.gz YOTBNSNWIFRXHO-SMDDNHRTSA-N 0 3 312.866 3.446 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000876655567 623671257 /nfs/dbraw/zinc/67/12/57/623671257.db2.gz OIZOGDYUWBWGEX-OAHLLOKOSA-N 0 3 310.800 3.002 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000876663736 623674198 /nfs/dbraw/zinc/67/41/98/623674198.db2.gz CIAHKWYURWHBHK-WBVHZDCISA-N 0 3 306.837 3.037 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000876670271 623676297 /nfs/dbraw/zinc/67/62/97/623676297.db2.gz BFULOMPPVIAXHJ-LKTVYLICSA-N 0 3 310.800 3.205 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000876672269 623677088 /nfs/dbraw/zinc/67/70/88/623677088.db2.gz LNXSZSQXBQICKX-TURNYIBQSA-N 0 3 310.800 3.035 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000876673686 623677949 /nfs/dbraw/zinc/67/79/49/623677949.db2.gz PUWQCTSZFMOVFM-VHDGCEQUSA-N 0 3 324.877 3.162 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 ZINC000876686244 623682088 /nfs/dbraw/zinc/68/20/88/623682088.db2.gz SUJACHIANHFHKU-HZPDHXFCSA-N 0 3 308.853 3.244 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC(CC)(CC)c1ccccc1 ZINC000876687114 623682346 /nfs/dbraw/zinc/68/23/46/623682346.db2.gz LOFZPHJQCRXXHR-HNNXBMFYSA-N 0 3 308.853 3.331 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000876734562 623692091 /nfs/dbraw/zinc/69/20/91/623692091.db2.gz HBCDCVDBNXDUBB-HNNXBMFYSA-N 0 3 307.825 3.085 20 30 DGEDHN C#CCCCCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000876815329 623715112 /nfs/dbraw/zinc/71/51/12/623715112.db2.gz XOZSSTYOZLHHTJ-UHFFFAOYSA-N 0 3 301.356 3.454 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000779188594 623739995 /nfs/dbraw/zinc/73/99/95/623739995.db2.gz VBWUVVGXFLCENZ-FQEVSTJZSA-N 0 3 313.441 3.480 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000876906826 623740909 /nfs/dbraw/zinc/74/09/09/623740909.db2.gz IRNCMNRSZSSBAM-JKSUJKDBSA-N 0 3 306.837 3.383 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000876969068 623757225 /nfs/dbraw/zinc/75/72/25/623757225.db2.gz WLGJRDDVZJCYNL-LLVKDONJSA-N 0 3 307.608 3.080 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000876986754 623759743 /nfs/dbraw/zinc/75/97/43/623759743.db2.gz KGMJBEKBJJQYJT-MRXNPFEDSA-N 0 3 319.836 3.013 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC000877027565 623768813 /nfs/dbraw/zinc/76/88/13/623768813.db2.gz OZIPEBLJJLHYLC-SNVBAGLBSA-N 0 3 303.189 3.065 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCOc3ccccc32)c1 ZINC000877024508 623769229 /nfs/dbraw/zinc/76/92/29/623769229.db2.gz GCWIDLSBCGYWPV-ZDUSSCGKSA-N 0 3 313.788 3.263 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000877030640 623769584 /nfs/dbraw/zinc/76/95/84/623769584.db2.gz JLDYTXQKKBWZNB-GJZGRUSLSA-N 0 3 306.837 3.251 20 30 DGEDHN CC(C)(C)c1ccc([C@@H](O)CNCc2cccc(C#N)n2)cc1 ZINC000877039119 623772849 /nfs/dbraw/zinc/77/28/49/623772849.db2.gz HQEAXXDCWNMOGQ-SFHVURJKSA-N 0 3 309.413 3.074 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000877042625 623774350 /nfs/dbraw/zinc/77/43/50/623774350.db2.gz SNSQOLZEYHGKOT-GJZGRUSLSA-N 0 3 324.827 3.390 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccc(CC)cc2)CC1 ZINC000877081984 623786477 /nfs/dbraw/zinc/78/64/77/623786477.db2.gz VJMYCJQYLOGQRC-KRWDZBQOSA-N 0 3 320.864 3.425 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000877119249 623794894 /nfs/dbraw/zinc/79/48/94/623794894.db2.gz WDPGLYIVWDRAOG-UONOGXRCSA-N 0 3 313.228 3.304 20 30 DGEDHN C#CCCCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000779772244 623800043 /nfs/dbraw/zinc/80/00/43/623800043.db2.gz NSSWDEMTECFENY-UHFFFAOYSA-N 0 3 316.445 3.286 20 30 DGEDHN CC(C)(C)c1ccc(CNC(=O)[C@@H](N)CCCCC#N)s1 ZINC000877306337 623846569 /nfs/dbraw/zinc/84/65/69/623846569.db2.gz NRZQDEAMESNYLB-ZDUSSCGKSA-N 0 3 307.463 3.073 20 30 DGEDHN C[C@H](C#N)CN[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877321095 623851340 /nfs/dbraw/zinc/85/13/40/623851340.db2.gz DOCIXSPLJVPGME-KLHDSHLOSA-N 0 3 321.465 3.304 20 30 DGEDHN Cc1cc(CCNCc2cc(C#N)cnc2Cl)cc(C)c1O ZINC000877466553 623896184 /nfs/dbraw/zinc/89/61/84/623896184.db2.gz MLWKZZZRFJOYLR-UHFFFAOYSA-N 0 3 315.804 3.261 20 30 DGEDHN CN1CCN(Cc2cc(C#N)cnc2Cl)c2ccccc2C1 ZINC000877548189 623937146 /nfs/dbraw/zinc/93/71/46/623937146.db2.gz GMAUGNDXPNXROM-UHFFFAOYSA-N 0 3 312.804 3.059 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCC2(C#N)CCC2)C12CCC2 ZINC000877594447 623955910 /nfs/dbraw/zinc/95/59/10/623955910.db2.gz URDIGLNEYHKTJV-KGLIPLIRSA-N 0 3 319.449 3.106 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000877617899 623963874 /nfs/dbraw/zinc/96/38/74/623963874.db2.gz ZALWFMYBHHIHOR-GJZGRUSLSA-N 0 3 305.809 3.044 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672657 623987087 /nfs/dbraw/zinc/98/70/87/623987087.db2.gz JTAHPFZJKKJFIK-TZIWHRDSSA-N 0 3 321.420 3.397 20 30 DGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1[N+](=O)[O-] ZINC000877729854 624006673 /nfs/dbraw/zinc/00/66/73/624006673.db2.gz CTUJDFAFNMDWLR-AWEZNQCLSA-N 0 3 317.389 3.092 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000877917258 624091538 /nfs/dbraw/zinc/09/15/38/624091538.db2.gz RNNTYVSOZFTNSC-WOJBJXKFSA-N 0 3 311.425 3.159 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCC2)O1 ZINC000878010560 624133466 /nfs/dbraw/zinc/13/34/66/624133466.db2.gz LADDTDUDSZEVNQ-GOSISDBHSA-N 0 3 314.429 3.108 20 30 DGEDHN N#CCC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000878241427 624225050 /nfs/dbraw/zinc/22/50/50/624225050.db2.gz VSQYUNAZLPKLAZ-INIZCTEOSA-N 0 3 300.402 3.067 20 30 DGEDHN N#CCC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000878241427 624225052 /nfs/dbraw/zinc/22/50/52/624225052.db2.gz VSQYUNAZLPKLAZ-INIZCTEOSA-N 0 3 300.402 3.067 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)o1 ZINC000878449774 624281628 /nfs/dbraw/zinc/28/16/28/624281628.db2.gz XRUWACSEMWRXGI-OAHLLOKOSA-N 0 3 320.396 3.413 20 30 DGEDHN CC(=NNCCC(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000782908776 624289905 /nfs/dbraw/zinc/28/99/05/624289905.db2.gz ZFTSMVUONHRLAF-UHFFFAOYSA-N 0 3 303.450 3.273 20 30 DGEDHN CC(=O)[C@](C#N)(CCN1CCSCC[C@H]1C)c1ccccc1 ZINC000878504190 624292625 /nfs/dbraw/zinc/29/26/25/624292625.db2.gz DSNXPGACUOVKRP-CRAIPNDOSA-N 0 3 316.470 3.254 20 30 DGEDHN C#CCCCCCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000878548547 624305400 /nfs/dbraw/zinc/30/54/00/624305400.db2.gz YIQLOVFHDGZJFO-WMZOPIPTSA-N 0 3 321.486 3.252 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)C2(CO)CCCC2)o1 ZINC000878668877 624336026 /nfs/dbraw/zinc/33/60/26/624336026.db2.gz KYFLZMQTHDELBB-UHFFFAOYSA-N 0 3 310.397 3.459 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccsc1 ZINC000783348092 624339072 /nfs/dbraw/zinc/33/90/72/624339072.db2.gz WPXDUBKXSUPSPU-CQSZACIVSA-N 0 3 306.431 3.086 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCS2)cc1 ZINC000783352837 624339632 /nfs/dbraw/zinc/33/96/32/624339632.db2.gz KEEZXZVYAXRZGP-LSDHHAIUSA-N 0 3 316.426 3.182 20 30 DGEDHN C#CC[C@H](NCc1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000783581652 624370042 /nfs/dbraw/zinc/37/00/42/624370042.db2.gz DISSXSBRKBQJKE-IBGZPJMESA-N 0 3 323.392 3.093 20 30 DGEDHN C#CCN(CCCC(=O)Nc1c(C)cccc1C)C1CSC1 ZINC000878913378 624386908 /nfs/dbraw/zinc/38/69/08/624386908.db2.gz MBOXCPYDDLRBGZ-UHFFFAOYSA-N 0 3 316.470 3.073 20 30 DGEDHN N#Cc1cc(CN2CCC[C@H]2[C@H](O)c2ccccc2)ccc1F ZINC000879243620 624458624 /nfs/dbraw/zinc/45/86/24/624458624.db2.gz KCJBZPCQRHRPAJ-RBUKOAKNSA-N 0 3 310.372 3.395 20 30 DGEDHN COC(=O)C[C@](C)(NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000879441520 624548931 /nfs/dbraw/zinc/54/89/31/624548931.db2.gz VSWJJKSLRYBZTD-KRWDZBQOSA-N 0 3 305.805 3.013 20 30 DGEDHN COc1ccc([C@H]2CN(Cc3ccc(C)c(C#N)c3)CCN2)cc1 ZINC000879523272 624577501 /nfs/dbraw/zinc/57/75/01/624577501.db2.gz WOQFJQPIHPIFMO-HXUWFJFHSA-N 0 3 321.424 3.022 20 30 DGEDHN N#Cc1csc(CNC[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000785613827 624700815 /nfs/dbraw/zinc/70/08/15/624700815.db2.gz DKLZWAHEAPPNGD-AWEZNQCLSA-N 0 3 310.781 3.235 20 30 DGEDHN Cc1csc([C@H]2CCN(CCOc3ccccc3C#N)C2)n1 ZINC000880009147 624752533 /nfs/dbraw/zinc/75/25/33/624752533.db2.gz GCOMKUNFBBZKCF-HNNXBMFYSA-N 0 3 313.426 3.192 20 30 DGEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786541042 624915091 /nfs/dbraw/zinc/91/50/91/624915091.db2.gz OAJBSEMIVPHPGJ-GDBMZVCRSA-N 0 3 324.380 3.025 20 30 DGEDHN N#CC(C(=O)CCOCC(F)F)c1ccc2ccccc2n1 ZINC000791765325 625854488 /nfs/dbraw/zinc/85/44/88/625854488.db2.gz MNDYYQCMFDDTSC-LBPRGKRZSA-N 0 3 304.296 3.083 20 30 DGEDHN C=CCC[C@H](CO)NCc1c(Cl)nc2cc(Cl)ccn21 ZINC000883139085 625941076 /nfs/dbraw/zinc/94/10/76/625941076.db2.gz ZYUPPHPRQCSQPX-LLVKDONJSA-N 0 3 314.216 3.058 20 30 DGEDHN C=CCCC[C@H](NCc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000883195856 625966589 /nfs/dbraw/zinc/96/65/89/625966589.db2.gz DRVAWWMDMCZVCB-KRWDZBQOSA-N 0 3 309.413 3.368 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000796135422 626025425 /nfs/dbraw/zinc/02/54/25/626025425.db2.gz KSJLVRACSPQBCN-GUYCJALGSA-N 0 3 308.372 3.477 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796621002 626066902 /nfs/dbraw/zinc/06/69/02/626066902.db2.gz YEGFTICHVYDSHM-MNOVXSKESA-N 0 3 303.312 3.185 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000796633774 626068489 /nfs/dbraw/zinc/06/84/89/626068489.db2.gz OYEIMSMYUTWULY-DGCLKSJQSA-N 0 3 306.312 3.078 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2cnn3ccccc23)cc1 ZINC000797059062 626109285 /nfs/dbraw/zinc/10/92/85/626109285.db2.gz UJQUZIKBUOZPIC-OAHLLOKOSA-N 0 3 305.381 3.197 20 30 DGEDHN CC(C)c1c(Cl)ncnc1N=NC1CN(C(C)C)C[C@H]1C ZINC000797405209 626140447 /nfs/dbraw/zinc/14/04/47/626140447.db2.gz NRPXVLLPULFKRH-LLVKDONJSA-N 0 3 309.845 3.381 20 30 DGEDHN COc1cc(CN[C@H](C)c2ccc3c(c2)CCO3)ccc1C#N ZINC000799336674 626291816 /nfs/dbraw/zinc/29/18/16/626291816.db2.gz NTAXNDPCOVCMSH-CYBMUJFWSA-N 0 3 308.381 3.353 20 30 DGEDHN COc1cc(CNC[C@@H](O)c2ccccc2Cl)ccc1C#N ZINC000799338643 626292183 /nfs/dbraw/zinc/29/21/83/626292183.db2.gz WFNUMOXZIMZMHL-MRXNPFEDSA-N 0 3 316.788 3.043 20 30 DGEDHN COc1cc(CNC[C@H](O)c2ccccc2Cl)ccc1C#N ZINC000799338642 626292416 /nfs/dbraw/zinc/29/24/16/626292416.db2.gz WFNUMOXZIMZMHL-INIZCTEOSA-N 0 3 316.788 3.043 20 30 DGEDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1C#N ZINC000799342962 626293161 /nfs/dbraw/zinc/29/31/61/626293161.db2.gz VSJWGWXPUFBJKZ-AWEZNQCLSA-N 0 3 309.413 3.484 20 30 DGEDHN Cc1cc(C)cc(-n2ncc(CNCC3CCC(C#N)CC3)n2)c1 ZINC000799343724 626293415 /nfs/dbraw/zinc/29/34/15/626293415.db2.gz MKWYBLBWSWWTMC-UHFFFAOYSA-N 0 3 323.444 3.304 20 30 DGEDHN CC#CC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000801166271 626396213 /nfs/dbraw/zinc/39/62/13/626396213.db2.gz MUZQDIMDDKIINV-UHFFFAOYSA-N 0 3 320.436 3.171 20 30 DGEDHN CC(C)CN(CCC#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000801518206 626407045 /nfs/dbraw/zinc/40/70/45/626407045.db2.gz ZNYXBAMDOPAJTR-QGZVFWFLSA-N 0 3 313.445 3.020 20 30 DGEDHN C[C@H](C#N)OCCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000801937752 626426991 /nfs/dbraw/zinc/42/69/91/626426991.db2.gz VRPDEWBXEDWVOL-APWZRJJASA-N 0 3 310.397 3.325 20 30 DGEDHN Cc1nc(Cl)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000802032404 626429431 /nfs/dbraw/zinc/42/94/31/626429431.db2.gz QWTLCBZWGLMVGM-LBPRGKRZSA-N 0 3 324.771 3.420 20 30 DGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000802797183 626573437 /nfs/dbraw/zinc/57/34/37/626573437.db2.gz QMRFYIQOSUZNNT-BBRMVZONSA-N 0 3 300.402 3.146 20 30 DGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000802797184 626573503 /nfs/dbraw/zinc/57/35/03/626573503.db2.gz QMRFYIQOSUZNNT-CJNGLKHVSA-N 0 3 300.402 3.146 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000883400216 626673576 /nfs/dbraw/zinc/67/35/76/626673576.db2.gz GZQWSPKFFDDYQC-ZDUSSCGKSA-N 0 3 316.357 3.272 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1cccc(Br)c1F ZINC000883400196 626673715 /nfs/dbraw/zinc/67/37/15/626673715.db2.gz GOPYALFYGJSVTK-NSHDSACASA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)C(C)C ZINC000807440489 626756900 /nfs/dbraw/zinc/75/69/00/626756900.db2.gz RECNYVZCXLXFMP-GJZGRUSLSA-N 0 3 307.438 3.315 20 30 DGEDHN CCCCC[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)(C)C ZINC000884139090 626840354 /nfs/dbraw/zinc/84/03/54/626840354.db2.gz IYLSYPIIBWXELA-BWRBCVJASA-N 0 3 319.493 3.237 20 30 DGEDHN CCCCC[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)(C)C ZINC000884139091 626840373 /nfs/dbraw/zinc/84/03/73/626840373.db2.gz IYLSYPIIBWXELA-IOSXPMGOSA-N 0 3 319.493 3.237 20 30 DGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc3c(c1)C=CCCC3)C2 ZINC000884409370 626876996 /nfs/dbraw/zinc/87/69/96/626876996.db2.gz HTLNGIGIPZZJCZ-OHTSDLOESA-N 0 3 321.424 3.114 20 30 DGEDHN CCCCC[C@@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884417531 626878049 /nfs/dbraw/zinc/87/80/49/626878049.db2.gz KIQJXIOASRHUKV-DHADLLTHSA-N 0 3 317.477 3.087 20 30 DGEDHN C#Cc1ccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000809568604 626920462 /nfs/dbraw/zinc/92/04/62/626920462.db2.gz TTZLXRCEZQGGBT-KRWDZBQOSA-N 0 3 314.429 3.109 20 30 DGEDHN C#C[C@@H](C)NCc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000809683699 626935079 /nfs/dbraw/zinc/93/50/79/626935079.db2.gz KTFWJKHEXWACMR-CQSZACIVSA-N 0 3 311.429 3.425 20 30 DGEDHN C#C[C@H](NCc1cnc2ccc(Br)cn12)C(C)(C)C ZINC000809782303 626952499 /nfs/dbraw/zinc/95/24/99/626952499.db2.gz OAECCVJGXGMJEV-ZDUSSCGKSA-N 0 3 320.234 3.234 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)c1c(F)cccc1F)CC2 ZINC000810227036 626989970 /nfs/dbraw/zinc/98/99/70/626989970.db2.gz QKAVBIBZXLOAPN-DLBZAZTESA-N 0 3 314.335 3.147 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810280294 626996225 /nfs/dbraw/zinc/99/62/25/626996225.db2.gz FJYUCNCYOUPKPO-LJQANCHMSA-N 0 3 318.436 3.414 20 30 DGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCCSC1 ZINC000810529559 627012474 /nfs/dbraw/zinc/01/24/74/627012474.db2.gz JFDLECQTQFAYNL-ZWNOBZJWSA-N 0 3 322.817 3.131 20 30 DGEDHN C=CCc1cc(CNCc2n[nH]c(C)c2C)cc(OC)c1OC ZINC000885970995 627073474 /nfs/dbraw/zinc/07/34/74/627073474.db2.gz MSSGWZWDTVAUTK-UHFFFAOYSA-N 0 3 315.417 3.062 20 30 DGEDHN Cc1nc(C(C)(C)NC[C@H](O)CC2(C#N)CCC2)sc1C ZINC000886072499 627098846 /nfs/dbraw/zinc/09/88/46/627098846.db2.gz IBMDXCIIVVZIAE-CYBMUJFWSA-N 0 3 307.463 3.030 20 30 DGEDHN C=C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000136879717 627104250 /nfs/dbraw/zinc/10/42/50/627104250.db2.gz UQSMBLLDTBQOJI-WMLDXEAASA-N 0 3 310.397 3.114 20 30 DGEDHN N#CC1(C[C@H](O)CN2CC[C@H](c3c(F)cccc3F)C2)CCC1 ZINC000886138546 627110580 /nfs/dbraw/zinc/11/05/80/627110580.db2.gz NBRPLZOVFKIEJM-KBPBESRZSA-N 0 3 320.383 3.199 20 30 DGEDHN COCc1ccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000886138565 627110773 /nfs/dbraw/zinc/11/07/73/627110773.db2.gz NHNJWWQVIROURB-ZBFHGGJFSA-N 0 3 318.417 3.008 20 30 DGEDHN CN(Cc1ccc(F)c(Cl)c1)C[C@H](O)CC1(C#N)CCC1 ZINC000886171820 627117301 /nfs/dbraw/zinc/11/73/01/627117301.db2.gz PEGLWQLXUPEYQR-CYBMUJFWSA-N 0 3 310.800 3.356 20 30 DGEDHN C#CCC1(NCc2ccc(OC)c(OC)c2Cl)CCOCC1 ZINC000886381808 627145340 /nfs/dbraw/zinc/14/53/40/627145340.db2.gz SRRXFTNZHIUSPT-UHFFFAOYSA-N 0 3 323.820 3.019 20 30 DGEDHN C#CCN(C(=O)C[C@H](CC)c1ccccc1)C1CCN(C)CC1 ZINC000886582036 627167520 /nfs/dbraw/zinc/16/75/20/627167520.db2.gz CYMLIONGIOUWIU-KRWDZBQOSA-N 0 3 312.457 3.126 20 30 DGEDHN C#CCN(C(=O)c1ccc(CC(C)C)cc1)C1CCN(C)CC1 ZINC000886587328 627168275 /nfs/dbraw/zinc/16/82/75/627168275.db2.gz SAMMCIMNPYICAW-UHFFFAOYSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCC1(O)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000886776904 627203672 /nfs/dbraw/zinc/20/36/72/627203672.db2.gz SMXZSRUCEJZFNL-CQSZACIVSA-N 0 3 304.390 3.367 20 30 DGEDHN CC(C)(NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000886901100 627212891 /nfs/dbraw/zinc/21/28/91/627212891.db2.gz PRFLPTHMBFJUTL-QGZVFWFLSA-N 0 3 316.351 3.395 20 30 DGEDHN C/C(C=Nn1c(C)nnc1C)=C/c1ccccc1OC(F)F ZINC000811634429 627297193 /nfs/dbraw/zinc/29/71/93/627297193.db2.gz OMUGWLGKYDRAAU-GNAHVBDCSA-N 0 3 306.316 3.434 20 30 DGEDHN C(=NNC[C@@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000811657797 627300802 /nfs/dbraw/zinc/30/08/02/627300802.db2.gz ALVYKJIQYXBYHP-INIZCTEOSA-N 0 3 303.475 3.354 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3cnn(C)c3c2)cc1 ZINC000812770990 627418372 /nfs/dbraw/zinc/41/83/72/627418372.db2.gz ZMWRUTPLODCRSZ-CQSZACIVSA-N 0 3 320.396 3.154 20 30 DGEDHN C#CCCOc1ccc(CNCc2ccc3cnn(C)c3c2)cc1 ZINC000812771276 627418592 /nfs/dbraw/zinc/41/85/92/627418592.db2.gz NTSQQKHQKQWCQS-UHFFFAOYSA-N 0 3 319.408 3.265 20 30 DGEDHN C#Cc1cccc(N(CC)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000812974100 627439577 /nfs/dbraw/zinc/43/95/77/627439577.db2.gz SLTQZFRMXHUPKW-LJQANCHMSA-N 0 3 316.420 3.233 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813060444 627444160 /nfs/dbraw/zinc/44/41/60/627444160.db2.gz ZMQIWHJMWCCTJT-INIZCTEOSA-N 0 3 311.385 3.370 20 30 DGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCC#N ZINC000813060434 627444277 /nfs/dbraw/zinc/44/42/77/627444277.db2.gz ZIMNSXINFDROGL-HNNXBMFYSA-N 0 3 311.385 3.153 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215373 627468271 /nfs/dbraw/zinc/46/82/71/627468271.db2.gz XPCOIOGDKVZFBP-CMPLNLGQSA-N 0 3 312.291 3.258 20 30 DGEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)c1ccc(CC)cc1 ZINC000813675907 627507143 /nfs/dbraw/zinc/50/71/43/627507143.db2.gz BZMVUXMXYNEBQW-SFHVURJKSA-N 0 3 315.461 3.442 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000815020214 627616623 /nfs/dbraw/zinc/61/66/23/627616623.db2.gz UMTXJJZRMJMEFO-APWZRJJASA-N 0 3 320.440 3.045 20 30 DGEDHN COc1cc(CN[C@@H](C)CC(C)(C)C#N)cc(OC)c1OC ZINC000924574476 627650274 /nfs/dbraw/zinc/65/02/74/627650274.db2.gz NURLKNZAJYHLEU-LBPRGKRZSA-N 0 3 306.406 3.130 20 30 DGEDHN N#CC(C(=O)CC1(C#N)CC1)C(=O)Nc1cccc2ccccc21 ZINC000815908026 627711290 /nfs/dbraw/zinc/71/12/90/627711290.db2.gz QIDXDRDJUKLFLD-HNNXBMFYSA-N 0 3 317.348 3.181 20 30 DGEDHN N#CC(C(=O)CC1(C#N)CC1)C(=O)Nc1cccc2ccccc21 ZINC000815908027 627711624 /nfs/dbraw/zinc/71/16/24/627711624.db2.gz QIDXDRDJUKLFLD-OAHLLOKOSA-N 0 3 317.348 3.181 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@H](CC)C1 ZINC000817414270 627895967 /nfs/dbraw/zinc/89/59/67/627895967.db2.gz DQLPFTVJWRHBQC-KBPBESRZSA-N 0 3 307.821 3.399 20 30 DGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccnn1C ZINC000817714192 627937729 /nfs/dbraw/zinc/93/77/29/627937729.db2.gz MQAFKVYTKZGIMH-GHMZBOCLSA-N 0 3 310.382 3.010 20 30 DGEDHN C#CCN1CCC[C@@H](N[C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000926863623 627965789 /nfs/dbraw/zinc/96/57/89/627965789.db2.gz AOZDEOZMSQPKIE-NVXWUHKLSA-N 0 3 309.413 3.090 20 30 DGEDHN C#CCN1CCC[C@@H](N[C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000926867314 627966189 /nfs/dbraw/zinc/96/61/89/627966189.db2.gz JZJCZRKFLNHXSO-RTWAWAEBSA-N 0 3 319.452 3.167 20 30 DGEDHN C[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1cc(C#N)ccn1 ZINC000926915374 627979834 /nfs/dbraw/zinc/97/98/34/627979834.db2.gz KNXZJMLJNZWYTM-ZKYQVNSYSA-N 0 3 313.323 3.104 20 30 DGEDHN CC(C)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000927070149 628007645 /nfs/dbraw/zinc/00/76/45/628007645.db2.gz OFPIUNXDOPPTHV-KSSFIOAISA-N 0 3 312.417 3.370 20 30 DGEDHN C[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(OCC#N)cc1 ZINC000927138643 628024131 /nfs/dbraw/zinc/02/41/31/628024131.db2.gz FRWZKHYRNUBYRG-XMCHAPAWSA-N 0 3 322.408 3.288 20 30 DGEDHN COc1ccc(C)cc1[C@@H](C)NCCNc1ccc(C#N)cn1 ZINC000927164186 628029804 /nfs/dbraw/zinc/02/98/04/628029804.db2.gz IRCMOZLBPYBVCH-CQSZACIVSA-N 0 3 310.401 3.033 20 30 DGEDHN C#CCN(C)CCCNC(=O)C1CCC(c2ccccc2)CC1 ZINC000818606319 628041242 /nfs/dbraw/zinc/04/12/42/628041242.db2.gz LVQSKYHNMLOWOV-UHFFFAOYSA-N 0 3 312.457 3.032 20 30 DGEDHN N#Cc1ccc([C@H](O)CNCc2ccccc2OC2CCC2)cc1 ZINC000819080084 628088388 /nfs/dbraw/zinc/08/83/88/628088388.db2.gz IBFUTUDSLOCIEA-LJQANCHMSA-N 0 3 322.408 3.313 20 30 DGEDHN CSC(C)(C)CCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000820851194 628304691 /nfs/dbraw/zinc/30/46/91/628304691.db2.gz JRFOCPAYECVKDC-QGZVFWFLSA-N 0 3 317.502 3.401 20 30 DGEDHN C=C(C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000823883226 628606779 /nfs/dbraw/zinc/60/67/79/628606779.db2.gz LMKNFASKRYZJJJ-ZDUSSCGKSA-N 0 3 323.375 3.370 20 30 DGEDHN C#CCCCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000823897320 628608657 /nfs/dbraw/zinc/60/86/57/628608657.db2.gz FUGYKSPUINTEKO-SFHVURJKSA-N 0 3 312.457 3.480 20 30 DGEDHN O=C(C#Cc1cccs1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000823990771 628616620 /nfs/dbraw/zinc/61/66/20/628616620.db2.gz QFRYQCFZAFWZLO-GOSISDBHSA-N 0 3 324.449 3.053 20 30 DGEDHN C[C@H]1C[C@H](CNCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000824153479 628631972 /nfs/dbraw/zinc/63/19/72/628631972.db2.gz MPDVQVPQXODPGO-UONOGXRCSA-N 0 3 309.454 3.161 20 30 DGEDHN CCCCCCCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000826603470 628864054 /nfs/dbraw/zinc/86/40/54/628864054.db2.gz XGUVWZRFACFSRT-JTDSTZFVSA-N 0 3 324.509 3.386 20 30 DGEDHN C#C[C@H](NCc1cnc(-c2ccccc2)s1)C1CCOCC1 ZINC000827570849 628972006 /nfs/dbraw/zinc/97/20/06/628972006.db2.gz SDVMKXSKIPPOKE-KRWDZBQOSA-N 0 3 312.438 3.328 20 30 DGEDHN C=CCCCCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000828133405 629026671 /nfs/dbraw/zinc/02/66/71/629026671.db2.gz RZCPAWMFZUPQQU-KRWDZBQOSA-N 0 3 302.418 3.454 20 30 DGEDHN C#C[C@H](C)N(C)CCCC(=O)c1ccc(Br)cc1 ZINC000829283052 629145870 /nfs/dbraw/zinc/14/58/70/629145870.db2.gz IJUYBKDVUZGFDE-LBPRGKRZSA-N 0 3 308.219 3.366 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000829774204 629190708 /nfs/dbraw/zinc/19/07/08/629190708.db2.gz NENGARJKHBQBIC-HZPDHXFCSA-N 0 3 316.420 3.080 20 30 DGEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000829774205 629190912 /nfs/dbraw/zinc/19/09/12/629190912.db2.gz NENGARJKHBQBIC-JKSUJKDBSA-N 0 3 316.420 3.080 20 30 DGEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000829778859 629191507 /nfs/dbraw/zinc/19/15/07/629191507.db2.gz JAYDUCQBBZKICA-CZUORRHYSA-N 0 3 311.347 3.474 20 30 DGEDHN C#CC[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000829789375 629192979 /nfs/dbraw/zinc/19/29/79/629192979.db2.gz UEBUBHLNZVEJEX-CYBMUJFWSA-N 0 3 312.335 3.258 20 30 DGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1CCCCC#N ZINC000830190251 629236227 /nfs/dbraw/zinc/23/62/27/629236227.db2.gz VQUPVBCPYAWTBZ-RBSFLKMASA-N 0 3 309.454 3.398 20 30 DGEDHN C#CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000830316066 629252170 /nfs/dbraw/zinc/25/21/70/629252170.db2.gz CVXZPTKGSXTGFY-UONOGXRCSA-N 0 3 318.848 3.251 20 30 DGEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063741 629841629 /nfs/dbraw/zinc/84/16/29/629841629.db2.gz QDMBTDWQIUKQSO-JQWIXIFHSA-N 0 3 312.291 3.313 20 30 DGEDHN CN(C)Cc1cccc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 ZINC000835344314 629911548 /nfs/dbraw/zinc/91/15/48/629911548.db2.gz NDIUZJIYNLUHBO-KRWDZBQOSA-N 0 3 300.402 3.377 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCCCCCCC2)CC1 ZINC000836286475 630093806 /nfs/dbraw/zinc/09/38/06/630093806.db2.gz IDIUHPYUTQGJJF-UHFFFAOYSA-N 0 3 307.482 3.393 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)C#CC(C)(C)C)N(C)C)cc1 ZINC000837316137 630239086 /nfs/dbraw/zinc/23/90/86/630239086.db2.gz FJARAEMDVRFRTD-QGZVFWFLSA-N 0 3 300.446 3.017 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000837392136 630252459 /nfs/dbraw/zinc/25/24/59/630252459.db2.gz XNKNPYVWKCITPQ-GOSISDBHSA-N 0 3 312.457 3.379 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C#CC(C)(C)C ZINC000837432453 630257143 /nfs/dbraw/zinc/25/71/43/630257143.db2.gz VRKFYCADXVCFEX-QGZVFWFLSA-N 0 3 312.457 3.159 20 30 DGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)C#CC2CC2)N(C)C)cc1 ZINC000837653756 630292935 /nfs/dbraw/zinc/29/29/35/630292935.db2.gz CMNKOHCWMAUDEC-LJQANCHMSA-N 0 3 312.457 3.017 20 30 DGEDHN C[C@]1(C(=O)C(C#N)C(=O)NC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000842288753 630511558 /nfs/dbraw/zinc/51/15/58/630511558.db2.gz LEQVAYOQCLHNFC-QKLQHJQFSA-N 0 3 324.424 3.338 20 30 DGEDHN Cc1ncsc1CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000842293033 630511830 /nfs/dbraw/zinc/51/18/30/630511830.db2.gz HKOMCENUDNSUBS-LLVKDONJSA-N 0 3 311.366 3.402 20 30 DGEDHN c1ccc(CN2CCC(=NOC[C@H]3CCOC3)CC23CC3)cc1 ZINC000842531753 630544858 /nfs/dbraw/zinc/54/48/58/630544858.db2.gz QMZZDPQQIXVYTA-KRWDZBQOSA-N 0 3 314.429 3.224 20 30 DGEDHN CCN(CCO)N=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000842534512 630545401 /nfs/dbraw/zinc/54/54/01/630545401.db2.gz PRRGPYAEAFJYGT-UHFFFAOYSA-N 0 3 303.450 3.105 20 30 DGEDHN C#CC[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000842629962 630555920 /nfs/dbraw/zinc/55/59/20/630555920.db2.gz TYLLGFRGVPJAMV-OAHLLOKOSA-N 0 3 324.384 3.151 20 30 DGEDHN C#Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000844310880 630717745 /nfs/dbraw/zinc/71/77/45/630717745.db2.gz VNADXZZEIZLLKX-UONOGXRCSA-N 0 3 311.303 3.354 20 30 DGEDHN Cc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)c(C)s1 ZINC000844368347 630721853 /nfs/dbraw/zinc/72/18/53/630721853.db2.gz DQXLVVGYCLWMRU-KRWDZBQOSA-N 0 3 300.427 3.402 20 30 DGEDHN CN(CCc1c(F)cccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370453 630721964 /nfs/dbraw/zinc/72/19/64/630721964.db2.gz YPOABOFIPHFDAU-GOSISDBHSA-N 0 3 316.351 3.044 20 30 DGEDHN CCOc1cccc(CNCc2ccc(C#N)cc2F)c1O ZINC000105642645 630947481 /nfs/dbraw/zinc/94/74/81/630947481.db2.gz OGNYOGOMXBIXBA-UHFFFAOYSA-N 0 3 300.333 3.091 20 30 DGEDHN N#CCOc1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000847039636 631388491 /nfs/dbraw/zinc/38/84/91/631388491.db2.gz ZZWGETFOBYVNDU-GOSISDBHSA-N 0 3 300.402 3.122 20 30 DGEDHN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000848398203 631654001 /nfs/dbraw/zinc/65/40/01/631654001.db2.gz RSXFBPNSRUKIIW-ARFHVFGLSA-N 0 3 307.482 3.366 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000848400878 631654920 /nfs/dbraw/zinc/65/49/20/631654920.db2.gz PZRRDMFMFFHQHQ-CVEARBPZSA-N 0 3 321.371 3.040 20 30 DGEDHN Brc1ccc(N=NC2CCCN3CCCC[C@H]23)cn1 ZINC000848407014 631655952 /nfs/dbraw/zinc/65/59/52/631655952.db2.gz VMXVRRDCWSXXQC-CYBMUJFWSA-N 0 3 323.238 3.260 20 30 DGEDHN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850584830 632202079 /nfs/dbraw/zinc/20/20/79/632202079.db2.gz SXSABXLLYQSWSP-YZVOILCLSA-N 0 3 310.397 3.362 20 30 DGEDHN N#CC(C(=O)C1CC2(CC2(F)F)C1)c1nc2ccccc2[nH]1 ZINC000850738118 632210008 /nfs/dbraw/zinc/21/00/08/632210008.db2.gz FDGXLFMGUXQQTP-VOZQYIJBSA-N 0 3 301.296 3.175 20 30 DGEDHN N#CC(C(=O)CCCF)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850761381 632217703 /nfs/dbraw/zinc/21/77/03/632217703.db2.gz LLHVAGIDJTWOLV-LLVKDONJSA-N 0 3 317.147 3.390 20 30 DGEDHN Cc1ccn([C@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000850783372 632224050 /nfs/dbraw/zinc/22/40/50/632224050.db2.gz ZPYGVYIFZFSCRP-CHWSQXEVSA-N 0 3 308.341 3.160 20 30 DGEDHN C[C@H](CC#N)C(=O)O[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000851054571 632297750 /nfs/dbraw/zinc/29/77/50/632297750.db2.gz PROXDBMYRBHBOE-VYDXJSESSA-N 0 3 300.402 3.132 20 30 DGEDHN C=C(C)CN(CC[C@H]1COC(C)(C)O1)Cc1cnn(C(C)C)c1 ZINC000852039051 632543891 /nfs/dbraw/zinc/54/38/91/632543891.db2.gz BRGIADXFACCOPY-KRWDZBQOSA-N 0 3 321.465 3.384 20 30 DGEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000852100723 632554026 /nfs/dbraw/zinc/55/40/26/632554026.db2.gz ZTNQHGPVPAKNQA-ZWKOTPCHSA-N 0 3 304.409 3.031 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(CC)CC)no2)[C@H](C)C1 ZINC000943374624 660186333 /nfs/dbraw/zinc/18/63/33/660186333.db2.gz NWSWZFYHDMFLEC-UKRRQHHQSA-N 0 3 319.449 3.204 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(CC)CC)no2)[C@@H](C)C1 ZINC000943374621 660186338 /nfs/dbraw/zinc/18/63/38/660186338.db2.gz NWSWZFYHDMFLEC-DZGCQCFKSA-N 0 3 319.449 3.204 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)[C@H](C)C1 ZINC000943702625 660196940 /nfs/dbraw/zinc/19/69/40/660196940.db2.gz PXIOAFMIZMGHFL-PBHICJAKSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)[C@H](C)C1 ZINC000943674715 660195978 /nfs/dbraw/zinc/19/59/78/660195978.db2.gz JTWAWSGWROELGN-ZBFHGGJFSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H](C)C1 ZINC000943745030 660197960 /nfs/dbraw/zinc/19/79/60/660197960.db2.gz QLKPMKMIMNLWON-CADBVGFASA-N 0 3 318.505 3.299 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)[C@@H](C)C1 ZINC000944077623 660211525 /nfs/dbraw/zinc/21/15/25/660211525.db2.gz BYBYBDLLDCADCG-HNAYVOBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CCCC3)c2)[C@@H](C)C1 ZINC000944097479 660212107 /nfs/dbraw/zinc/21/21/07/660212107.db2.gz HESNJRJKEHNVHG-OXJNMPFZSA-N 0 3 324.468 3.418 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000944306940 660220389 /nfs/dbraw/zinc/22/03/89/660220389.db2.gz UOYXDSHGAFZBIV-VQIMIIECSA-N 0 3 312.457 3.274 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000944620119 660226735 /nfs/dbraw/zinc/22/67/35/660226735.db2.gz QKLQCWJYGHEWGS-XHDPSFHLSA-N 0 3 310.800 3.105 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3ccccc32)[C@H](C)C1 ZINC000944634023 660227258 /nfs/dbraw/zinc/22/72/58/660227258.db2.gz LPSCBCPDKTYVMP-UZLBHIALSA-N 0 3 320.436 3.303 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C2CCC2)[C@@H](C)C1 ZINC000944492770 660224167 /nfs/dbraw/zinc/22/41/67/660224167.db2.gz RJTNPVILEMCFMN-HNAYVOBHSA-N 0 3 310.441 3.028 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2sc(CCC)nc2C)[C@@H](C)C1 ZINC000944907137 660235718 /nfs/dbraw/zinc/23/57/18/660235718.db2.gz KERZMCVOWGGLAV-JSGCOSHPSA-N 0 3 321.490 3.030 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(CCC)nc2C)[C@H](C)C1 ZINC000944907139 660235723 /nfs/dbraw/zinc/23/57/23/660235723.db2.gz KERZMCVOWGGLAV-TZMCWYRMSA-N 0 3 321.490 3.030 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)[C@H](C)C1 ZINC000944920608 660236246 /nfs/dbraw/zinc/23/62/46/660236246.db2.gz VCACDJBMWAYFJF-BEFAXECRSA-N 0 3 323.440 3.308 20 30 DGEDHN C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1[O-] ZINC000185986642 660258337 /nfs/dbraw/zinc/25/83/37/660258337.db2.gz MNSZEAQHEYRKPS-GFCCVEGCSA-N 0 3 300.333 3.284 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2csc(C)c2C)CC1 ZINC000997113146 660309733 /nfs/dbraw/zinc/30/97/33/660309733.db2.gz YDQIYLAWLDWEPJ-CQSZACIVSA-N 0 3 318.486 3.219 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(CCC)s2)CC1 ZINC000997122553 660310397 /nfs/dbraw/zinc/31/03/97/660310397.db2.gz ZOCXMUWRRYWIHV-CQSZACIVSA-N 0 3 318.486 3.164 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000997294821 660318417 /nfs/dbraw/zinc/31/84/17/660318417.db2.gz ZWCAHWZCNFYWHC-NVXWUHKLSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c(C)oc(C)c2C)CC1 ZINC000997214956 660315516 /nfs/dbraw/zinc/31/55/16/660315516.db2.gz FBYJGVXJFAYIAE-CQSZACIVSA-N 0 3 316.445 3.058 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000997399896 660323661 /nfs/dbraw/zinc/32/36/61/660323661.db2.gz OHVXVEVKZPVIRZ-CQSZACIVSA-N 0 3 318.848 3.194 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C)ccc2C)CC1 ZINC000997405938 660323979 /nfs/dbraw/zinc/32/39/79/660323979.db2.gz JDRCZSNKPBOICV-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC000997790710 660344735 /nfs/dbraw/zinc/34/47/35/660344735.db2.gz ZIYBYYZDYUGSSP-INIZCTEOSA-N 0 3 322.452 3.110 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccoc2CCC)CC1 ZINC000997827745 660346709 /nfs/dbraw/zinc/34/67/09/660346709.db2.gz CWYMECPLSPPNTN-HNNXBMFYSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3ccccc3c2)CC1 ZINC000997844190 660347332 /nfs/dbraw/zinc/34/73/32/660347332.db2.gz LTECLHLUDXJUFO-INIZCTEOSA-N 0 3 320.436 3.303 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc3ccccc3o2)CC1 ZINC000997854192 660347435 /nfs/dbraw/zinc/34/74/35/660347435.db2.gz LTSFOJGOIVPVET-HNNXBMFYSA-N 0 3 324.424 3.286 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)c(CC)s2)CC1 ZINC000997854928 660347763 /nfs/dbraw/zinc/34/77/63/660347763.db2.gz UIKIGUSDFBGARX-AWEZNQCLSA-N 0 3 318.486 3.082 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(CF)cc2)CC1 ZINC000997876108 660348227 /nfs/dbraw/zinc/34/82/27/660348227.db2.gz QHIAHWQACLYJQH-HNNXBMFYSA-N 0 3 316.420 3.010 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C)s2)CC1 ZINC000997909011 660353274 /nfs/dbraw/zinc/35/32/74/660353274.db2.gz MZZNUTLFGPLTRK-INIZCTEOSA-N 0 3 318.486 3.396 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC1(F)F ZINC001032588492 660362326 /nfs/dbraw/zinc/36/23/26/660362326.db2.gz QYDHYPFVZZWMQD-ILXRZTDVSA-N 0 3 312.404 3.063 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3CCCCC3)CC[C@@H]2C1 ZINC000946454629 660365195 /nfs/dbraw/zinc/36/51/95/660365195.db2.gz PWVVAMKKVXYYRS-CALCHBBNSA-N 0 3 324.896 3.490 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000998070111 660367435 /nfs/dbraw/zinc/36/74/35/660367435.db2.gz BLHOHRNRXWJDJY-AKHDSKFASA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000998072107 660367558 /nfs/dbraw/zinc/36/75/58/660367558.db2.gz POHCGKZKGAZCSR-RCCFBDPRSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)cc(F)c2)CC1 ZINC000998124250 660371288 /nfs/dbraw/zinc/37/12/88/660371288.db2.gz DMHPDFUTULMJSX-GOSISDBHSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032605973 660374355 /nfs/dbraw/zinc/37/43/55/660374355.db2.gz LLINGDDBEKICST-BXWFABGCSA-N 0 3 304.478 3.310 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)CC1 ZINC000998186925 660374932 /nfs/dbraw/zinc/37/49/32/660374932.db2.gz INJGJBAAOHWNQN-GOSISDBHSA-N 0 3 312.457 3.253 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(C(F)F)o2)CC1 ZINC000998190796 660375405 /nfs/dbraw/zinc/37/54/05/660375405.db2.gz WHILNNHEIFLTPO-CYBMUJFWSA-N 0 3 324.371 3.167 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccc(F)s2)CC1 ZINC000998202402 660375902 /nfs/dbraw/zinc/37/59/02/660375902.db2.gz DNQJVJOVTVEABQ-AWEZNQCLSA-N 0 3 322.449 3.227 20 30 DGEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc3c2CCC3)CC1 ZINC000998195099 660375932 /nfs/dbraw/zinc/37/59/32/660375932.db2.gz YUOXODSQABBZOL-GOSISDBHSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)c(C)s2)CC1 ZINC000998200192 660375981 /nfs/dbraw/zinc/37/59/81/660375981.db2.gz YUMCVSRXPDJXOX-INIZCTEOSA-N 0 3 318.486 3.315 20 30 DGEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(CF)cc2)CC1 ZINC000998195173 660376016 /nfs/dbraw/zinc/37/60/16/660376016.db2.gz ZWDZPPSJKPJIST-SFHVURJKSA-N 0 3 316.420 3.106 20 30 DGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000998102099 660369622 /nfs/dbraw/zinc/36/96/22/660369622.db2.gz KMIDFNHBQZIRHS-DLBZAZTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2occc2Cl)CC1 ZINC000998109346 660370302 /nfs/dbraw/zinc/37/03/02/660370302.db2.gz JMWBXJBPVSSVRM-ZDUSSCGKSA-N 0 3 310.825 3.436 20 30 DGEDHN C=CCN[C@H]1CN(C(=O)CCC2CCC2)CC[C@@H]1C(F)(F)F ZINC000998251622 660378411 /nfs/dbraw/zinc/37/84/11/660378411.db2.gz RBKVESVKVLUTPN-KBPBESRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)C(=C)C)CC[C@H]1C(F)(F)F ZINC000998278396 660380454 /nfs/dbraw/zinc/38/04/54/660380454.db2.gz TXGLTPDZZXPGSZ-CHWSQXEVSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccsc1 ZINC001032622389 660381322 /nfs/dbraw/zinc/38/13/22/660381322.db2.gz MFBJWANTHFKRJI-KBMXLJTQSA-N 0 3 304.459 3.103 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccccc2C1 ZINC001032649280 660406514 /nfs/dbraw/zinc/40/65/14/660406514.db2.gz INAINMJKPFJRDI-UFYCRDLUSA-N 0 3 324.468 3.043 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccc(C(C)C)n2)C1 ZINC000999064440 660404541 /nfs/dbraw/zinc/40/45/41/660404541.db2.gz PXAMOGQZDXMNRZ-UHFFFAOYSA-N 0 3 321.852 3.150 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)sc2C)C1 ZINC000999066505 660404736 /nfs/dbraw/zinc/40/47/36/660404736.db2.gz VFEPGSOMXKKKRG-UHFFFAOYSA-N 0 3 312.866 3.310 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001032675998 660411941 /nfs/dbraw/zinc/41/19/41/660411941.db2.gz ZXEHXFFVIZXYEZ-HUUJSLGLSA-N 0 3 324.468 3.432 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)(F)CC1 ZINC001032650073 660406555 /nfs/dbraw/zinc/40/65/55/660406555.db2.gz YABFQXCHEHIWJH-GJZGRUSLSA-N 0 3 312.404 3.063 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1coc2ccccc12 ZINC001032700188 660413809 /nfs/dbraw/zinc/41/38/09/660413809.db2.gz QYHSVZCLAWHNBK-IRXDYDNUSA-N 0 3 324.424 3.227 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC000999476471 660419548 /nfs/dbraw/zinc/41/95/48/660419548.db2.gz HUKONAVBUWDVQK-NRXISQOPSA-N 0 3 310.800 3.029 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC000999568163 660422003 /nfs/dbraw/zinc/42/20/03/660422003.db2.gz DBJPHESNQZVURI-IYXRBSQSSA-N 0 3 324.827 3.261 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC000999803613 660427659 /nfs/dbraw/zinc/42/76/59/660427659.db2.gz HKIAODOZDZDXLR-UHFFFAOYSA-N 0 3 320.864 3.296 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC000999786111 660428240 /nfs/dbraw/zinc/42/82/40/660428240.db2.gz HMQPNORTJYEFGL-UHFFFAOYSA-N 0 3 318.848 3.050 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000999895354 660429821 /nfs/dbraw/zinc/42/98/21/660429821.db2.gz YTWXVPHBMFYCCI-MRXNPFEDSA-N 0 3 318.436 3.427 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC000999876414 660430478 /nfs/dbraw/zinc/43/04/78/660430478.db2.gz MMLMCARODAMHKK-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC000999877364 660430486 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C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ccccc21 ZINC001032765056 660441126 /nfs/dbraw/zinc/44/11/26/660441126.db2.gz UUTJCYAOTYFDDP-IRXDYDNUSA-N 0 3 306.409 3.315 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c2c1CCC2 ZINC001032808849 660452654 /nfs/dbraw/zinc/45/26/54/660452654.db2.gz TUVWWNFTPSUWDR-IRXDYDNUSA-N 0 3 324.468 3.349 20 30 DGEDHN C#CCN1CCC(CNC(=O)c2coc3ccc(CC)cc23)CC1 ZINC001001416113 660454361 /nfs/dbraw/zinc/45/43/61/660454361.db2.gz XDLQSKIPWMPKCR-UHFFFAOYSA-N 0 3 324.424 3.070 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001032820948 660458710 /nfs/dbraw/zinc/45/87/10/660458710.db2.gz GKQSOQAVVFFRMP-GJZGRUSLSA-N 0 3 304.478 3.310 20 30 DGEDHN CC#CCN1CCC(CNC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC001002160671 660465726 /nfs/dbraw/zinc/46/57/26/660465726.db2.gz ZFANOQXQMCQVIL-UHFFFAOYSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN1CCC(NC(=O)c2[nH]ccc2-c2ccccc2)CC1 ZINC001003954518 660518862 /nfs/dbraw/zinc/51/88/62/660518862.db2.gz 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C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001033383486 660617471 /nfs/dbraw/zinc/61/74/71/660617471.db2.gz HWJPRGVEUKALDZ-OAHLLOKOSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033491399 660628637 /nfs/dbraw/zinc/62/86/37/660628637.db2.gz GYUMQALOXKJGGH-HYVNUMGLSA-N 0 3 316.420 3.038 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001033519163 660629784 /nfs/dbraw/zinc/62/97/84/660629784.db2.gz CBZVDUBIXUYPNO-OAHLLOKOSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001033569192 660634373 /nfs/dbraw/zinc/63/43/73/660634373.db2.gz SRMBGCMSTKLQQT-RDJZCZTQSA-N 0 3 324.424 3.092 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC001033608059 660638646 /nfs/dbraw/zinc/63/86/46/660638646.db2.gz AJYPVVZCJJAZKP-ZCYBBYNQSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(F)cccc2Cl)C1 ZINC001033610907 660639665 /nfs/dbraw/zinc/63/96/65/660639665.db2.gz 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C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033693261 660650519 /nfs/dbraw/zinc/65/05/19/660650519.db2.gz RABVUMVKKXUECP-MRXNPFEDSA-N 0 3 312.457 3.206 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2C)C1 ZINC001033841603 660668974 /nfs/dbraw/zinc/66/89/74/660668974.db2.gz XRSWXXSTQOBGAB-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2coc3c2cccc3C)C1 ZINC001033855580 660671535 /nfs/dbraw/zinc/67/15/35/660671535.db2.gz LDLSQUJQTBMVJP-INIZCTEOSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cncc(Cl)c2C)C1 ZINC001033863253 660672592 /nfs/dbraw/zinc/67/25/92/660672592.db2.gz UOYKRKAKDFIKMJ-CQSZACIVSA-N 0 3 321.852 3.156 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033895300 660676906 /nfs/dbraw/zinc/67/69/06/660676906.db2.gz PVLFOCNJYKGWMX-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc3cccnc32)C1 ZINC001033888203 660675761 /nfs/dbraw/zinc/67/57/61/660675761.db2.gz REDUHCWLMQWELA-KRWDZBQOSA-N 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ZINC001034247584 660727404 /nfs/dbraw/zinc/72/74/04/660727404.db2.gz QPRGIZSKLXVUBA-AWEZNQCLSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001034299377 660734237 /nfs/dbraw/zinc/73/42/37/660734237.db2.gz PIZCOOUJBONJLT-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001034301906 660734289 /nfs/dbraw/zinc/73/42/89/660734289.db2.gz VLLLKPXHROVZSC-AWEZNQCLSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034299720 660734446 /nfs/dbraw/zinc/73/44/46/660734446.db2.gz CWWRCCOTQKBYKE-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001034309161 660735289 /nfs/dbraw/zinc/73/52/89/660735289.db2.gz IWEVVALTUKKXDA-UONOGXRCSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001034336490 660738369 /nfs/dbraw/zinc/73/83/69/660738369.db2.gz IGPPNNQPAGGGRB-HNNXBMFYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034369380 660741877 /nfs/dbraw/zinc/74/18/77/660741877.db2.gz QMKFRWMBHFOYQX-CYBMUJFWSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001034370743 660742494 /nfs/dbraw/zinc/74/24/94/660742494.db2.gz XTEVCHGFGZQJBG-KRWDZBQOSA-N 0 3 300.446 3.409 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001034372992 660742839 /nfs/dbraw/zinc/74/28/39/660742839.db2.gz QHVANPZMEFRSIX-FUHWJXTLSA-N 0 3 316.420 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001034366234 660744638 /nfs/dbraw/zinc/74/46/38/660744638.db2.gz XNEQASZFSAKFQP-AWEZNQCLSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001034398630 660747648 /nfs/dbraw/zinc/74/76/48/660747648.db2.gz OWAHBBUNDFCKLK-QGZVFWFLSA-N 0 3 315.461 3.365 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001034508042 660763491 /nfs/dbraw/zinc/76/34/91/660763491.db2.gz NCBAXYFYHPNCEK-ABHNRTSZSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001034471248 660758333 /nfs/dbraw/zinc/75/83/33/660758333.db2.gz BHUNNYMCSNORTM-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001034473214 660759002 /nfs/dbraw/zinc/75/90/02/660759002.db2.gz GNSCCFUOLJCBIK-LJQANCHMSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001034483705 660761337 /nfs/dbraw/zinc/76/13/37/660761337.db2.gz UBQSRMLMOIGIIY-CQSZACIVSA-N 0 3 321.490 3.427 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001034487218 660761737 /nfs/dbraw/zinc/76/17/37/660761737.db2.gz MZCMYULUZWRKON-INIZCTEOSA-N 0 3 316.445 3.012 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034500812 660762482 /nfs/dbraw/zinc/76/24/82/660762482.db2.gz PHQABKUWEGHRFS-GOSISDBHSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034503557 660762701 /nfs/dbraw/zinc/76/27/01/660762701.db2.gz OZTBHZCUZJXOGC-KRWDZBQOSA-N 0 3 300.446 3.464 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001034502280 660762883 /nfs/dbraw/zinc/76/28/83/660762883.db2.gz SINJLFSZKTYDRL-SJLPKXTDSA-N 0 3 300.446 3.255 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001034506249 660763346 /nfs/dbraw/zinc/76/33/46/660763346.db2.gz LGALBNHMAVOBBF-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001034517967 660766339 /nfs/dbraw/zinc/76/63/39/660766339.db2.gz FISLWRCMHYIRAH-CQSZACIVSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001034532604 660767862 /nfs/dbraw/zinc/76/78/62/660767862.db2.gz OFRBESZDFGKHLG-MAUKXSAKSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001034520648 660768042 /nfs/dbraw/zinc/76/80/42/660768042.db2.gz IWBGSHJQYOJCLU-KRWDZBQOSA-N 0 3 300.446 3.382 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001034547664 660772755 /nfs/dbraw/zinc/77/27/55/660772755.db2.gz SAKFECBYSLRSDA-XLIONFOSSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001005681227 660788338 /nfs/dbraw/zinc/78/83/38/660788338.db2.gz TZWDIBXBICQGHV-IAGOWNOFSA-N 0 3 304.478 3.334 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)n(CC)c2C)CC1 ZINC001005677740 660788733 /nfs/dbraw/zinc/78/87/33/660788733.db2.gz KXOXWFOUHUGFSZ-UHFFFAOYSA-N 0 3 317.477 3.237 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2CCC)CC1 ZINC001005695097 660790500 /nfs/dbraw/zinc/79/05/00/660790500.db2.gz QZNGGWCXUOJQTK-UHFFFAOYSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccn3ccccc23)CC1 ZINC001005696638 660790741 /nfs/dbraw/zinc/79/07/41/660790741.db2.gz YMOOFTUEZKZJGK-UHFFFAOYSA-N 0 3 311.429 3.052 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cncc(C)c1 ZINC001035035859 660810933 /nfs/dbraw/zinc/81/09/33/660810933.db2.gz SGJPTQJKWDTGRS-MJGOQNOKSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1C(C)(C)C1(C)C)CC2 ZINC001035677641 660843739 /nfs/dbraw/zinc/84/37/39/660843739.db2.gz ODAWALOPEPAMGV-UHFFFAOYSA-N 0 3 304.478 3.169 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)CC2 ZINC001035712392 660846596 /nfs/dbraw/zinc/84/65/96/660846596.db2.gz ULOJGZOTTIGKPO-GOSISDBHSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]1CCC)CC2 ZINC001035737564 660848477 /nfs/dbraw/zinc/84/84/77/660848477.db2.gz JVKDQEBWXHORRU-QZTJIDSGSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc[nH]c1CCC)CC2 ZINC001035772321 660850368 /nfs/dbraw/zinc/85/03/68/660850368.db2.gz VTGCQRSEAYJQJC-UHFFFAOYSA-N 0 3 315.461 3.081 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](C)C1)CC2 ZINC001035779379 660850897 /nfs/dbraw/zinc/85/08/97/660850897.db2.gz MXYBHZFTLKCASS-IRXDYDNUSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1coc(C(F)F)c1)CC2 ZINC001035777340 660853544 /nfs/dbraw/zinc/85/35/44/660853544.db2.gz LLOOQJLBADVFTO-UHFFFAOYSA-N 0 3 324.371 3.331 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C1CCCC1)CC2 ZINC001035826938 660854076 /nfs/dbraw/zinc/85/40/76/660854076.db2.gz KUXTZBHYEFFFFG-ZWKOTPCHSA-N 0 3 316.489 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(F)cc(F)c1)CC2 ZINC001035846672 660855962 /nfs/dbraw/zinc/85/59/62/660855962.db2.gz SPGBKGNNRQVIGC-UHFFFAOYSA-N 0 3 320.383 3.079 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC001035840217 660857751 /nfs/dbraw/zinc/85/77/51/660857751.db2.gz BTPYGFLWOCCFCO-UHFFFAOYSA-N 0 3 312.457 3.120 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1CC(C(C)(C)C)C1)CC2 ZINC001035861595 660861156 /nfs/dbraw/zinc/86/11/56/660861156.db2.gz JNLGPOOYEPCTFU-UHFFFAOYSA-N 0 3 316.489 3.006 20 30 DGEDHN CCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001036334340 660897133 /nfs/dbraw/zinc/89/71/33/660897133.db2.gz DXROJPORTZEXFR-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001036439996 660905942 /nfs/dbraw/zinc/90/59/42/660905942.db2.gz MVTQTKKFYSMBEL-UONOGXRCSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccn(C(C)C)c2C)CC1 ZINC001005872386 660945295 /nfs/dbraw/zinc/94/52/95/660945295.db2.gz XLXCGHJGXYZKLP-UHFFFAOYSA-N 0 3 317.477 3.490 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC001006125389 660965257 /nfs/dbraw/zinc/96/52/57/660965257.db2.gz YOJAZVMBIFBPQW-RBUKOAKNSA-N 0 3 312.457 3.207 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001005990060 660955225 /nfs/dbraw/zinc/95/52/25/660955225.db2.gz DFJXVKJYLQOHBR-UHFFFAOYSA-N 0 3 301.434 3.005 20 30 DGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016444168 660973295 /nfs/dbraw/zinc/97/32/95/660973295.db2.gz SYLQJRUQHZXODL-CYBMUJFWSA-N 0 3 307.463 3.037 20 30 DGEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000792922911 660993663 /nfs/dbraw/zinc/99/36/63/660993663.db2.gz AEOXLWSRAZPKBT-UHFFFAOYSA-N 0 3 310.401 3.000 20 30 DGEDHN CC(=NN[C@H](C)C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000793113446 661005485 /nfs/dbraw/zinc/00/54/85/661005485.db2.gz FLACRAVSTBCGHT-OAHLLOKOSA-N 0 3 303.450 3.271 20 30 DGEDHN CC1(C)[C@H](NCc2ccc(C#N)cn2)C[C@H]1Oc1ccccc1 ZINC000793558934 661045952 /nfs/dbraw/zinc/04/59/52/661045952.db2.gz WQERRYWMFNTNHM-QZTJIDSGSA-N 0 3 307.397 3.289 20 30 DGEDHN CCc1cnc(N2CCN(CC3CCC(C#N)CC3)CC2)s1 ZINC000929719118 661331636 /nfs/dbraw/zinc/33/16/36/661331636.db2.gz BNHRINJPAGMRBW-UHFFFAOYSA-N 0 3 318.490 3.157 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000794677746 661098204 /nfs/dbraw/zinc/09/82/04/661098204.db2.gz YGAYFQOWBYMTQI-PTKRALEFSA-N 0 3 304.434 3.330 20 30 DGEDHN C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000794822206 661107396 /nfs/dbraw/zinc/10/73/96/661107396.db2.gz AOONKMPIAVWWQZ-VXGBXAGGSA-N 0 3 321.396 3.261 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(CF)cc3)C2)nc1 ZINC000794832150 661107790 /nfs/dbraw/zinc/10/77/90/661107790.db2.gz KFFMCSGCFJGVES-KRWDZBQOSA-N 0 3 311.360 3.076 20 30 DGEDHN CCC#C[C@H](C)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795101332 661126580 /nfs/dbraw/zinc/12/65/80/661126580.db2.gz LWZKBHLQOAQQMH-HRCADAONSA-N 0 3 306.450 3.120 20 30 DGEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000795328845 661140552 /nfs/dbraw/zinc/14/05/52/661140552.db2.gz IXAVUEQDYACDTJ-YJBOKZPZSA-N 0 3 324.399 3.377 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000969111505 655523169 /nfs/dbraw/zinc/52/31/69/655523169.db2.gz PSTDROBOPYPHJG-INIZCTEOSA-N 0 3 316.445 3.148 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC000969127061 655526342 /nfs/dbraw/zinc/52/63/42/655526342.db2.gz RCDIYIXEYKGTRY-INIZCTEOSA-N 0 3 316.445 3.319 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC000969131046 655526569 /nfs/dbraw/zinc/52/65/69/655526569.db2.gz WHSWGVCKJAYTIT-GOSISDBHSA-N 0 3 312.457 3.301 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC000969160824 655529611 /nfs/dbraw/zinc/52/96/11/655529611.db2.gz MAIGVPSGYDGFDJ-GOSISDBHSA-N 0 3 316.420 3.154 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)C)C[C@@H]1C ZINC000947371047 655535035 /nfs/dbraw/zinc/53/50/35/655535035.db2.gz XUDSBHRHLKUSEA-DLBZAZTESA-N 0 3 312.457 3.416 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000969570888 655551057 /nfs/dbraw/zinc/55/10/57/655551057.db2.gz ZCBMQFYZBGLNBG-MRXNPFEDSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001020638030 655563348 /nfs/dbraw/zinc/56/33/48/655563348.db2.gz BAWNYJICFINDCN-BPUTZDHNSA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001020878234 655579816 /nfs/dbraw/zinc/57/98/16/655579816.db2.gz BXPTYPXGPHKACF-WKILWMFISA-N 0 3 306.837 3.413 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC001039115635 655580778 /nfs/dbraw/zinc/58/07/78/655580778.db2.gz ATBSNGBOASYWOJ-KRWDZBQOSA-N 0 3 322.880 3.266 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001020945260 655582397 /nfs/dbraw/zinc/58/23/97/655582397.db2.gz CONHWIGWYYXZSX-BPUTZDHNSA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2OC(C)C)C1 ZINC001020960151 655583270 /nfs/dbraw/zinc/58/32/70/655583270.db2.gz HETFGINOBPUYRU-HDJSIYSDSA-N 0 3 322.836 3.077 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001039130915 655584594 /nfs/dbraw/zinc/58/45/94/655584594.db2.gz ALQLGFNBKRASJI-HNNXBMFYSA-N 0 3 310.869 3.100 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001021007977 655586252 /nfs/dbraw/zinc/58/62/52/655586252.db2.gz OEZUZPWFXWXWBK-XYPYZODXSA-N 0 3 317.191 3.082 20 30 DGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001039146737 655586592 /nfs/dbraw/zinc/58/65/92/655586592.db2.gz PNPVARVQKFAQBH-LSDHHAIUSA-N 0 3 316.848 3.048 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001021014918 655586685 /nfs/dbraw/zinc/58/66/85/655586685.db2.gz RMTAOUADVBKISW-JOCQHMNTSA-N 0 3 318.804 3.344 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001021107990 655589928 /nfs/dbraw/zinc/58/99/28/655589928.db2.gz XHSBUQYKUVJDFG-HAQNSBGRSA-N 0 3 312.866 3.474 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2C2(C)CC2)C1 ZINC000970413946 655598268 /nfs/dbraw/zinc/59/82/68/655598268.db2.gz HKGIGXPOHHVYMP-OAHLLOKOSA-N 0 3 312.457 3.364 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000970570644 655606832 /nfs/dbraw/zinc/60/68/32/655606832.db2.gz VXSMZBDTNZULSU-AYOQOUSVSA-N 0 3 312.457 3.111 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC000970611209 655609122 /nfs/dbraw/zinc/60/91/22/655609122.db2.gz YNIZPJJFMFPKQB-CYBMUJFWSA-N 0 3 306.837 3.275 20 30 DGEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCCCCC2)C1 ZINC001039193031 655609667 /nfs/dbraw/zinc/60/96/67/655609667.db2.gz JAHSOPBBPSVVIL-RTBURBONSA-N 0 3 316.489 3.293 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([O-])c1 ZINC000255161081 655617211 /nfs/dbraw/zinc/61/72/11/655617211.db2.gz RWTIWIWCXASDAJ-AHVFZWCRSA-N 0 3 316.445 3.471 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCC(C3CC3)CC2)C1 ZINC000970824407 655626762 /nfs/dbraw/zinc/62/67/62/655626762.db2.gz UTMLNMPPYKJLNB-ODIFPOPNSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc3ccccc32)C1 ZINC000970826521 655627246 /nfs/dbraw/zinc/62/72/46/655627246.db2.gz RNPZXSQZBJSFGJ-OAHLLOKOSA-N 0 3 308.425 3.466 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC000970843014 655628923 /nfs/dbraw/zinc/62/89/23/655628923.db2.gz LZVVXWZLBIIVOK-LBPRGKRZSA-N 0 3 304.459 3.252 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC000970879412 655632532 /nfs/dbraw/zinc/63/25/32/655632532.db2.gz WXNPLGSEBZYYHO-OAHLLOKOSA-N 0 3 323.440 3.308 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2(C)CCCC2)C1 ZINC001021577462 655635929 /nfs/dbraw/zinc/63/59/29/655635929.db2.gz GUJFJKJNNYXHJS-QZTJIDSGSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccsc2C)C1 ZINC001021579956 655636323 /nfs/dbraw/zinc/63/63/23/655636323.db2.gz YLMMHKQDYMGANR-NVXWUHKLSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2oc3ccccc3c2CC)C1 ZINC000970953573 655642369 /nfs/dbraw/zinc/64/23/69/655642369.db2.gz GJVVIJWMUXMICL-AWEZNQCLSA-N 0 3 324.424 3.069 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](C)c1csc2ccccc21 ZINC000926126132 655668428 /nfs/dbraw/zinc/66/84/28/655668428.db2.gz IGLQMEOVBBRMQR-GFCCVEGCSA-N 0 3 309.456 3.153 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(CCCC#N)C2 ZINC000933044897 655671968 /nfs/dbraw/zinc/67/19/68/655671968.db2.gz DRQUHJZOIKEHLV-KRWDZBQOSA-N 0 3 307.438 3.156 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C[C@@H]1C ZINC000947438717 655673692 /nfs/dbraw/zinc/67/36/92/655673692.db2.gz ZEGMMYBLCVVHSW-QWHCGFSZSA-N 0 3 308.372 3.042 20 30 DGEDHN C#CCC1(NCc2cn3cc(Br)ccc3n2)CCC1 ZINC000933301587 655698444 /nfs/dbraw/zinc/69/84/44/655698444.db2.gz QXLCDJSEYJTIQR-UHFFFAOYSA-N 0 3 318.218 3.132 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc3c(c2)OCCO3)cc1 ZINC000178209426 655721329 /nfs/dbraw/zinc/72/13/29/655721329.db2.gz DMUIVKCQWHRAEX-OAHLLOKOSA-N 0 3 323.392 3.321 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000971720846 655722652 /nfs/dbraw/zinc/72/26/52/655722652.db2.gz VOFGJCLJNCWXRD-BFHYXJOUSA-N 0 3 318.383 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001022339536 655730988 /nfs/dbraw/zinc/73/09/88/655730988.db2.gz WBPYWFNRXRHDIK-TXEJJXNPSA-N 0 3 322.767 3.175 20 30 DGEDHN C[C@H](c1ccccc1)[C@H](O)CN(C)Cc1cc(C#N)cs1 ZINC000933772777 655732426 /nfs/dbraw/zinc/73/24/26/655732426.db2.gz UZRPRCTYCOUIBX-CXAGYDPISA-N 0 3 300.427 3.216 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@H]2C2CC2)C1 ZINC001022487715 655744388 /nfs/dbraw/zinc/74/43/88/655744388.db2.gz VYEWCGBOLNZJNK-FZKCQIBNSA-N 0 3 310.869 3.192 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(C(C)C)cc2)C1 ZINC000971930079 655748746 /nfs/dbraw/zinc/74/87/46/655748746.db2.gz ZPGNPKVTKIWQSY-LJQANCHMSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000971979219 655752727 /nfs/dbraw/zinc/75/27/27/655752727.db2.gz SXYAPRSSCLICTM-HNNXBMFYSA-N 0 3 314.429 3.367 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001022607787 655755009 /nfs/dbraw/zinc/75/50/09/655755009.db2.gz FRXUPFALWMLQFW-GASCZTMLSA-N 0 3 310.869 3.192 20 30 DGEDHN CCCCC1(NCC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000934207087 655755860 /nfs/dbraw/zinc/75/58/60/655755860.db2.gz JRWWGQHWEHUAQD-UHFFFAOYSA-N 0 3 305.809 3.463 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001022644099 655758016 /nfs/dbraw/zinc/75/80/16/655758016.db2.gz AKVUOYDWNPRSBM-BETUJISGSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3sccc3Cl)C2)C1 ZINC001022674752 655761191 /nfs/dbraw/zinc/76/11/91/655761191.db2.gz HQYDEEWGRGTUMD-TXEJJXNPSA-N 0 3 324.877 3.495 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000972073504 655761971 /nfs/dbraw/zinc/76/19/71/655761971.db2.gz SMGAGJRHYSMOGJ-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC000972081843 655763444 /nfs/dbraw/zinc/76/34/44/655763444.db2.gz JMSDXXBUCDLEFP-KRWDZBQOSA-N 0 3 318.436 3.379 20 30 DGEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)c(C)c1 ZINC000051652027 655775583 /nfs/dbraw/zinc/77/55/83/655775583.db2.gz MRVNXTQDHJRVOT-KRWDZBQOSA-N 0 3 312.413 3.004 20 30 DGEDHN COc1ccc(CN(CCCO)Cc2ccc(C#N)c(C)c2)cc1 ZINC000934505983 655781355 /nfs/dbraw/zinc/78/13/55/655781355.db2.gz MTSXDHIOJONYHE-UHFFFAOYSA-N 0 3 324.424 3.260 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000972245070 655782203 /nfs/dbraw/zinc/78/22/03/655782203.db2.gz JLQBCZNTYLMSMJ-MJGOQNOKSA-N 0 3 318.436 3.461 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001022865826 655794466 /nfs/dbraw/zinc/79/44/66/655794466.db2.gz NWEBIUCNVYJKOJ-BETUJISGSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001023132427 655814265 /nfs/dbraw/zinc/81/42/65/655814265.db2.gz PHFSEBGAPASKCY-IYBDPMFKSA-N 0 3 318.848 3.016 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001023406780 655831829 /nfs/dbraw/zinc/83/18/29/655831829.db2.gz UQPFKPGAWJIBPZ-OAHLLOKOSA-N 0 3 324.399 3.054 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3ccccc3c2C)C[C@H]1C ZINC000947555644 655833477 /nfs/dbraw/zinc/83/34/77/655833477.db2.gz KYXQVFRHMOQLDY-GDBMZVCRSA-N 0 3 323.440 3.312 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001023481477 655836841 /nfs/dbraw/zinc/83/68/41/655836841.db2.gz GIGJKJMVZITWHT-OAHLLOKOSA-N 0 3 324.399 3.054 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001023507921 655838662 /nfs/dbraw/zinc/83/86/62/655838662.db2.gz CZTQGTQDHCIIPF-INIZCTEOSA-N 0 3 318.505 3.300 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C3CCC3)cc2)C[C@H]1C ZINC000947579394 655849732 /nfs/dbraw/zinc/84/97/32/655849732.db2.gz APKNGFORQVOHQF-OXQOHEQNSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000972616028 655850114 /nfs/dbraw/zinc/85/01/14/655850114.db2.gz UTDGYJODBMXCBS-GFCCVEGCSA-N 0 3 312.335 3.096 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC001023651604 655852733 /nfs/dbraw/zinc/85/27/33/655852733.db2.gz XLAPOOCTJSKJSR-AWEZNQCLSA-N 0 3 320.383 3.089 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC001023651605 655852753 /nfs/dbraw/zinc/85/27/53/655852753.db2.gz XLAPOOCTJSKJSR-CQSZACIVSA-N 0 3 320.383 3.089 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC001023730903 655858878 /nfs/dbraw/zinc/85/88/78/655858878.db2.gz KOILFBGMTIRISV-KRWDZBQOSA-N 0 3 320.436 3.305 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001023737305 655859958 /nfs/dbraw/zinc/85/99/58/655859958.db2.gz OZJHZWVUDZFKCK-SFHVURJKSA-N 0 3 312.457 3.077 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001038294664 655863273 /nfs/dbraw/zinc/86/32/73/655863273.db2.gz TXLCMPPCWPEDBU-KRWDZBQOSA-N 0 3 323.440 3.314 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001023770585 655863960 /nfs/dbraw/zinc/86/39/60/655863960.db2.gz DPWALZUJYCTRDK-HNNXBMFYSA-N 0 3 324.424 3.070 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000972788332 655882384 /nfs/dbraw/zinc/88/23/84/655882384.db2.gz CQULGTQDNMTYOY-GFCCVEGCSA-N 0 3 313.228 3.326 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001024488775 655910147 /nfs/dbraw/zinc/91/01/47/655910147.db2.gz VKFXWOZEBGMYRA-ZDUSSCGKSA-N 0 3 324.371 3.133 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024505399 655911476 /nfs/dbraw/zinc/91/14/76/655911476.db2.gz BVWKXTNCCRUPEP-QZTJIDSGSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001024531132 655913476 /nfs/dbraw/zinc/91/34/76/655913476.db2.gz MRXZWVOQLJRACB-KRWDZBQOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001024539466 655914380 /nfs/dbraw/zinc/91/43/80/655914380.db2.gz YIGYITUPLGUWQH-KRWDZBQOSA-N 0 3 317.477 3.285 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001024540976 655914993 /nfs/dbraw/zinc/91/49/93/655914993.db2.gz SQKHJOXHPMVJAB-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001024545885 655915641 /nfs/dbraw/zinc/91/56/41/655915641.db2.gz PJEGZMFWWTVVSJ-SFHVURJKSA-N 0 3 312.457 3.247 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001024559063 655916695 /nfs/dbraw/zinc/91/66/95/655916695.db2.gz RMUHLRDZCDFZNU-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001024581443 655920334 /nfs/dbraw/zinc/92/03/34/655920334.db2.gz JRRBLPDBPILZRN-OAHLLOKOSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001024716338 655932970 /nfs/dbraw/zinc/93/29/70/655932970.db2.gz SGXUNOLZPUYIKN-HNNXBMFYSA-N 0 3 318.848 3.256 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001024741976 655934546 /nfs/dbraw/zinc/93/45/46/655934546.db2.gz DWUYEZALPZSOBR-IBGZPJMESA-N 0 3 312.457 3.418 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001024763091 655936339 /nfs/dbraw/zinc/93/63/39/655936339.db2.gz ZKKNOMGVTSMSJS-QGZVFWFLSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001024785684 655938540 /nfs/dbraw/zinc/93/85/40/655938540.db2.gz NQCGJWCGWOLMQW-QGZVFWFLSA-N 0 3 316.445 3.246 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001024803939 655940534 /nfs/dbraw/zinc/94/05/34/655940534.db2.gz NFMQPOBLMQZIJS-OAHLLOKOSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001024803938 655940632 /nfs/dbraw/zinc/94/06/32/655940632.db2.gz NFMQPOBLMQZIJS-HNNXBMFYSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1sccc1CC ZINC001024814747 655941173 /nfs/dbraw/zinc/94/11/73/655941173.db2.gz XBIHSBWYHILTPA-HNNXBMFYSA-N 0 3 306.475 3.471 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001024817042 655942517 /nfs/dbraw/zinc/94/25/17/655942517.db2.gz TWSYEXHZXYKVSQ-KRWDZBQOSA-N 0 3 324.468 3.091 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001024817924 655942570 /nfs/dbraw/zinc/94/25/70/655942570.db2.gz IFXAVBWIPZFRBW-OAHLLOKOSA-N 0 3 311.429 3.247 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001024817054 655942759 /nfs/dbraw/zinc/94/27/59/655942759.db2.gz TWSYEXHZXYKVSQ-QGZVFWFLSA-N 0 3 324.468 3.091 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cc(C)ns1 ZINC001025041021 655958561 /nfs/dbraw/zinc/95/85/61/655958561.db2.gz RDUSHYZLUVGCLN-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN N#Cc1ccc(OCCCN(Cc2ccccn2)C2CC2)cc1 ZINC000180866931 655969851 /nfs/dbraw/zinc/96/98/51/655969851.db2.gz VPBSQCKASKQGDF-UHFFFAOYSA-N 0 3 307.397 3.387 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001025193891 655975628 /nfs/dbraw/zinc/97/56/28/655975628.db2.gz YPLDJLODBWQWSI-RBUKOAKNSA-N 0 3 310.441 3.169 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001025194831 655976121 /nfs/dbraw/zinc/97/61/21/655976121.db2.gz GPPDKKRVRKWTKA-OALUTQOASA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C ZINC001025198347 655977781 /nfs/dbraw/zinc/97/77/81/655977781.db2.gz OPPJNTKMQJRBAT-SJORKVTESA-N 0 3 314.429 3.070 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cncs1 ZINC001025209132 655978625 /nfs/dbraw/zinc/97/86/25/655978625.db2.gz JDOCRIJDULLVOF-CABCVRRESA-N 0 3 319.474 3.178 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001025215147 655979650 /nfs/dbraw/zinc/97/96/50/655979650.db2.gz JDRNQMQFMJIQQG-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ncccc1C ZINC001025219853 655980071 /nfs/dbraw/zinc/98/00/71/655980071.db2.gz AFWQNXZTCXNACK-IRXDYDNUSA-N 0 3 313.445 3.035 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001025223660 655981439 /nfs/dbraw/zinc/98/14/39/655981439.db2.gz DQNMQFSMXHJSAK-RTBURBONSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001025223659 655981539 /nfs/dbraw/zinc/98/15/39/655981539.db2.gz DQNMQFSMXHJSAK-RBUKOAKNSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccsc1C ZINC001025228242 655981841 /nfs/dbraw/zinc/98/18/41/655981841.db2.gz WUDKDWQKIBIGQV-IRXDYDNUSA-N 0 3 316.470 3.149 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C(=C)Cl ZINC001025237552 655983280 /nfs/dbraw/zinc/98/32/80/655983280.db2.gz MRPWURPFZDITPH-HZPDHXFCSA-N 0 3 322.880 3.244 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C(=C)C ZINC001025258968 655985086 /nfs/dbraw/zinc/98/50/86/655985086.db2.gz MBAGHRUCCBZDFU-DLBZAZTESA-N 0 3 302.462 3.067 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CC)CCC1 ZINC001025261529 655986785 /nfs/dbraw/zinc/98/67/85/655986785.db2.gz WNUCRCCOHYKOND-QZTJIDSGSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CC=CC1 ZINC001025268469 655986793 /nfs/dbraw/zinc/98/67/93/655986793.db2.gz ZWAMKLBCQGRGPI-MSOLQXFVSA-N 0 3 314.473 3.212 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CC=CC1 ZINC001025268471 655986796 /nfs/dbraw/zinc/98/67/96/655986796.db2.gz ZWAMKLBCQGRGPI-ROUUACIJSA-N 0 3 314.473 3.212 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c(C)cccc1C ZINC001025270406 655987847 /nfs/dbraw/zinc/98/78/47/655987847.db2.gz CMKAJIUFUXANJH-RTBURBONSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC001025292614 655989395 /nfs/dbraw/zinc/98/93/95/655989395.db2.gz KGKANMUMVBKKIA-PMACEKPBSA-N 0 3 324.468 3.396 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(CC)cc1 ZINC001025298086 655990253 /nfs/dbraw/zinc/99/02/53/655990253.db2.gz UCHQUFMNKYRXII-VQTJNVASSA-N 0 3 324.468 3.341 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CCC)C1 ZINC001025477307 656019651 /nfs/dbraw/zinc/01/96/51/656019651.db2.gz GJYUWENYDRDVNW-SJLPKXTDSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCCCCCC2)C1 ZINC001025483273 656021484 /nfs/dbraw/zinc/02/14/84/656021484.db2.gz WXGNLTTYFDTUQH-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC001025518731 656027284 /nfs/dbraw/zinc/02/72/84/656027284.db2.gz HNQSNRODDDDEFL-LPHOPBHVSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001025520819 656028935 /nfs/dbraw/zinc/02/89/35/656028935.db2.gz AMNCVQGVQLORCG-ZBFHGGJFSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001025536676 656030524 /nfs/dbraw/zinc/03/05/24/656030524.db2.gz ZVCZMHKWUBNBDJ-SJORKVTESA-N 0 3 324.468 3.202 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001025553262 656034331 /nfs/dbraw/zinc/03/43/31/656034331.db2.gz SUBWBFGLZLZAFX-OXJNMPFZSA-N 0 3 322.452 3.110 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(Cl)cs2)C1 ZINC001025549850 656034885 /nfs/dbraw/zinc/03/48/85/656034885.db2.gz WFUQXHQPYHWOIY-QWHCGFSZSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001025555250 656035521 /nfs/dbraw/zinc/03/55/21/656035521.db2.gz LBBPZMJMVXPRPJ-JFBVMJNESA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC001025586904 656040522 /nfs/dbraw/zinc/04/05/22/656040522.db2.gz GZLRYJNMNLQTBJ-VQIMIIECSA-N 0 3 312.457 3.274 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025602550 656043977 /nfs/dbraw/zinc/04/39/77/656043977.db2.gz IIDQQENTMHTJNN-BRSBDYLESA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3ccccc3c2)C1 ZINC001025602593 656044323 /nfs/dbraw/zinc/04/43/23/656044323.db2.gz JCMXOJXIRXFAQL-UZLBHIALSA-N 0 3 320.436 3.303 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)csc2Cl)C1 ZINC001025605751 656044762 /nfs/dbraw/zinc/04/47/62/656044762.db2.gz BZLHFYFIRPDXMV-OLZOCXBDSA-N 0 3 324.877 3.173 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC001025609817 656046454 /nfs/dbraw/zinc/04/64/54/656046454.db2.gz HYGGQFBDCSACKZ-RDJZCZTQSA-N 0 3 324.424 3.286 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001025611397 656046740 /nfs/dbraw/zinc/04/67/40/656046740.db2.gz KNJJADZOMJVFBK-OXJNMPFZSA-N 0 3 324.468 3.029 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001025615543 656048253 /nfs/dbraw/zinc/04/82/53/656048253.db2.gz VWWZSGXLHRNYLQ-WBVHZDCISA-N 0 3 323.440 3.022 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC001025632846 656052267 /nfs/dbraw/zinc/05/22/67/656052267.db2.gz PDWGSCNGEWMUJV-KXBFYZLASA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025631716 656052456 /nfs/dbraw/zinc/05/24/56/656052456.db2.gz DKEXIAVDUAHBCV-WMZOPIPTSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC001025636255 656053378 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C=C(C)CN1C[C@H](NC(=O)c2c[nH]c3ccccc23)C(C)(C)C1 ZINC000974783730 656228938 /nfs/dbraw/zinc/22/89/38/656228938.db2.gz NOAMTFHVFSCQMU-KRWDZBQOSA-N 0 3 311.429 3.184 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C(C)(C)C1 ZINC000974863643 656235934 /nfs/dbraw/zinc/23/59/34/656235934.db2.gz KXVFICOIMGVGCB-NXOAAHMSSA-N 0 3 304.478 3.215 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2occc2C(C)C)C(C)(C)C1 ZINC000974945297 656243590 /nfs/dbraw/zinc/24/35/90/656243590.db2.gz KLGKWPPRIJDPCT-OAHLLOKOSA-N 0 3 304.434 3.419 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000974958063 656245624 /nfs/dbraw/zinc/24/56/24/656245624.db2.gz AFFIKSXAPJLHBK-QGZVFWFLSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C(C)(C)C1 ZINC000975025269 656249933 /nfs/dbraw/zinc/24/99/33/656249933.db2.gz DZYWPZAJCYQCII-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C[C@H]1OCC[C@]12CN(CCCCC1(C#N)CCC1)C[C@@H](C)O2 ZINC000930269910 661242493 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C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C(C)(C)C1 ZINC000977329251 656322603 /nfs/dbraw/zinc/32/26/03/656322603.db2.gz SBFHVMPDJGEMHV-LJQANCHMSA-N 0 3 322.452 3.110 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)ccc2F)C(C)(C)C1 ZINC000977490745 656334320 /nfs/dbraw/zinc/33/43/20/656334320.db2.gz AWHQUOIZQIIQBL-QGZVFWFLSA-N 0 3 318.436 3.079 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2CCC(C3CC3)CC2)C(C)(C)C1 ZINC000977549464 656341594 /nfs/dbraw/zinc/34/15/94/656341594.db2.gz YXGQNTIMRHVZQH-ABHNRTSZSA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cc3ccccc3o2)C(C)(C)C1 ZINC000977561394 656343050 /nfs/dbraw/zinc/34/30/50/656343050.db2.gz ZTCHQHXXFXQZFV-KRWDZBQOSA-N 0 3 312.413 3.449 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(Cl)s2)C(C)(C)C1 ZINC000977580597 656346485 /nfs/dbraw/zinc/34/64/85/656346485.db2.gz BEUDAMOYUWTHOX-LBPRGKRZSA-N 0 3 312.866 3.418 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)CC2CCC(C)(C)CC2)C(C)(C)C1 ZINC000977670992 656354943 /nfs/dbraw/zinc/35/49/43/656354943.db2.gz KXNZCJLSNRXOQV-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001027603464 656372773 /nfs/dbraw/zinc/37/27/73/656372773.db2.gz LAYBTRQTNCRAOD-RTBURBONSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001027649129 656384958 /nfs/dbraw/zinc/38/49/58/656384958.db2.gz CDAVSSJCZJGULS-KRWDZBQOSA-N 0 3 324.424 3.219 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)ccc2OC)CC1 ZINC001006364407 661258175 /nfs/dbraw/zinc/25/81/75/661258175.db2.gz QVJMSQLECXXDSH-UHFFFAOYSA-N 0 3 322.836 3.071 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001027674546 656393069 /nfs/dbraw/zinc/39/30/69/656393069.db2.gz DXRHIDVCWIUCKI-LJQANCHMSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc3ccccc3c2)CC1 ZINC001006377442 661258833 /nfs/dbraw/zinc/25/88/33/661258833.db2.gz NJNBSAOXNSWQFV-UHFFFAOYSA-N 0 3 322.452 3.491 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cccs3)C[C@@H]2C1 ZINC000979480394 656430035 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CC#CCN1CCC[C@@H](NC(=O)c2ccccc2CCC)CC1 ZINC001052547494 656443684 /nfs/dbraw/zinc/44/36/84/656443684.db2.gz HWVZLUAMKUTMTE-GOSISDBHSA-N 0 3 312.457 3.247 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2cc3cscc3s2)CC1 ZINC001052568634 656445738 /nfs/dbraw/zinc/44/57/38/656445738.db2.gz OSMBJPLVMMNAAP-ZDUSSCGKSA-N 0 3 318.467 3.180 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C2(c3cccc(C)c3)CCC2)CC1 ZINC001052613321 656449103 /nfs/dbraw/zinc/44/91/03/656449103.db2.gz CXHXFADMXAXDLT-IBGZPJMESA-N 0 3 324.468 3.021 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)cc1 ZINC001052615126 656449948 /nfs/dbraw/zinc/44/99/48/656449948.db2.gz GQCCJKSWOMHYEG-ITHMCKDVSA-N 0 3 316.832 3.005 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001027885474 656459820 /nfs/dbraw/zinc/45/98/20/656459820.db2.gz FKRZTJOACKHVDW-KURKYZTESA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001027905541 656474908 /nfs/dbraw/zinc/47/49/08/656474908.db2.gz ZZJUJHJVMZYDOR-ZDUSSCGKSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2coc3cc(C)ccc23)C1 ZINC000980341597 656490051 /nfs/dbraw/zinc/49/00/51/656490051.db2.gz QCAONRJNKJYALJ-INIZCTEOSA-N 0 3 312.413 3.002 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001039397185 656492845 /nfs/dbraw/zinc/49/28/45/656492845.db2.gz XTEXCIWFQDGNDR-CABCVRRESA-N 0 3 312.404 3.063 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(C)c1 ZINC001039426195 656498956 /nfs/dbraw/zinc/49/89/56/656498956.db2.gz VJHAAHGIRWPFSC-SJORKVTESA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC000980446551 656503841 /nfs/dbraw/zinc/50/38/41/656503841.db2.gz UOPBRDUPNUSMCN-BBRMVZONSA-N 0 3 306.837 3.162 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)(F)F ZINC001039460892 656506145 /nfs/dbraw/zinc/50/61/45/656506145.db2.gz LPDSUKBWNCXHQB-OLZOCXBDSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000980470484 656508720 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C=CCN(C)[C@H]1CCN(C(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC000980501927 656515264 /nfs/dbraw/zinc/51/52/64/656515264.db2.gz FCJPWAOTSVHVNP-ZWKOTPCHSA-N 0 3 318.436 3.284 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001027962105 656546250 /nfs/dbraw/zinc/54/62/50/656546250.db2.gz LBCAWHMMKOMSIB-QGZVFWFLSA-N 0 3 323.440 3.314 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3cscc3C)C2)C1 ZINC001040142077 656564948 /nfs/dbraw/zinc/56/49/48/656564948.db2.gz PPSHMVDEVGIAOR-SFHVURJKSA-N 0 3 316.470 3.008 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cc(C)c(C)o3)C2)C1 ZINC001040159917 656566402 /nfs/dbraw/zinc/56/64/02/656566402.db2.gz LJYJETKGCWXGHM-SFHVURJKSA-N 0 3 302.418 3.011 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC3(C)C)C2)C1 ZINC001040345627 656579060 /nfs/dbraw/zinc/57/90/60/656579060.db2.gz SKVLDBQIIKOXGR-PXNSSMCTSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 ZINC001040506840 656592457 /nfs/dbraw/zinc/59/24/57/656592457.db2.gz 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ZINC001049342113 656608248 /nfs/dbraw/zinc/60/82/48/656608248.db2.gz BQQVZPLSNPUBFJ-IRXDYDNUSA-N 0 3 314.429 3.037 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@]3(C)C(C)C)C2)CC1 ZINC001040902673 656614692 /nfs/dbraw/zinc/61/46/92/656614692.db2.gz WUMJOKFJXLTQMH-PKOBYXMFSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)C2)CC1 ZINC001040944313 656616412 /nfs/dbraw/zinc/61/64/12/656616412.db2.gz GDSQAYGMPRADJZ-LJQANCHMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)cs1 ZINC001049458337 656623707 /nfs/dbraw/zinc/62/37/07/656623707.db2.gz GOLMSUUAZWIXIL-CABCVRRESA-N 0 3 304.459 3.312 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001049548705 656638437 /nfs/dbraw/zinc/63/84/37/656638437.db2.gz LQOAXKZUZLYUPS-HZMVEIRTSA-N 0 3 316.470 3.103 20 30 DGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)sc1C ZINC001049579739 656644142 /nfs/dbraw/zinc/64/41/42/656644142.db2.gz NTDXQRLPTNQHLO-CVEARBPZSA-N 0 3 304.459 3.230 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(F)cc(C)cc1F ZINC001049581914 656644849 /nfs/dbraw/zinc/64/48/49/656644849.db2.gz ANSFABMXRKLJMG-HOTGVXAUSA-N 0 3 320.383 3.138 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001049593106 656646598 /nfs/dbraw/zinc/64/65/98/656646598.db2.gz MSGXAYAKWDVPEX-ZCNNSNEGSA-N 0 3 324.468 3.432 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CC3(C)CCCCC3)C2)C1 ZINC001041463302 656649256 /nfs/dbraw/zinc/64/92/56/656649256.db2.gz XOKJXIAGUSRUAA-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2ncccc21 ZINC001049622326 656650980 /nfs/dbraw/zinc/65/09/80/656650980.db2.gz WECSJXHAMKHRNW-RTBURBONSA-N 0 3 321.424 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC001041539354 656653179 /nfs/dbraw/zinc/65/31/79/656653179.db2.gz GUFKKTILLCSAPU-SFHVURJKSA-N 0 3 318.486 3.385 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@]3(CCN(C[C@@H](F)CC)C3)C2)CC1 ZINC001041635698 656660734 /nfs/dbraw/zinc/66/07/34/656660734.db2.gz MVNOBUJYWINNQA-HKUYNNGSSA-N 0 3 322.468 3.405 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049672466 656662428 /nfs/dbraw/zinc/66/24/28/656662428.db2.gz SRUUTZNPNVVQCX-JKSUJKDBSA-N 0 3 300.402 3.022 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)C2)C1 ZINC001041726144 656670131 /nfs/dbraw/zinc/67/01/31/656670131.db2.gz UVSLEYZACVSRMS-VDGAXYAQSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)c(F)c1 ZINC001049755514 656679886 /nfs/dbraw/zinc/67/98/86/656679886.db2.gz PXFYDKBQCSZWJN-HZPDHXFCSA-N 0 3 322.811 3.344 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)c1ccccc1 ZINC001049752217 656680068 /nfs/dbraw/zinc/68/00/68/656680068.db2.gz GARXLBWWJQWZPH-RCCFBDPRSA-N 0 3 316.420 3.339 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)c(F)c1 ZINC001049755515 656680091 /nfs/dbraw/zinc/68/00/91/656680091.db2.gz PXFYDKBQCSZWJN-JKSUJKDBSA-N 0 3 322.811 3.344 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1cccs1 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DGEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3sc(C)cc3C)C[C@@H]21 ZINC001042076946 656719667 /nfs/dbraw/zinc/71/96/67/656719667.db2.gz XQSAPSICDAOOHU-CVEARBPZSA-N 0 3 318.486 3.477 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)oc4ccccc43)C[C@@H]21 ZINC001042078130 656720360 /nfs/dbraw/zinc/72/03/60/656720360.db2.gz UGZVTTIPEUQLHO-RDJZCZTQSA-N 0 3 324.424 3.464 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@H]21 ZINC001042092195 656721674 /nfs/dbraw/zinc/72/16/74/656721674.db2.gz DXEPTMGDRSVJGX-SUMWQHHRSA-N 0 3 320.383 3.077 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCC(C)CC1 ZINC001049922262 656724013 /nfs/dbraw/zinc/72/40/13/656724013.db2.gz GHVWOODYWKABBU-DHADLLTHSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCC(C)(C)CC1 ZINC001049935183 656727866 /nfs/dbraw/zinc/72/78/66/656727866.db2.gz DHDLNASQJQGJRK-ZWKOTPCHSA-N 0 3 316.489 3.291 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc3cc(C)ccc3n2)CC1 ZINC000981593337 656732225 /nfs/dbraw/zinc/73/22/25/656732225.db2.gz 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CC#CCN1CCC[C@H](NC(=O)c2csc(Cl)c2)CC1 ZINC001052766996 656765394 /nfs/dbraw/zinc/76/53/94/656765394.db2.gz RIDSDSRHNWTIDS-ZDUSSCGKSA-N 0 3 310.850 3.009 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc4cc(C)ccc4o3)C[C@H]21 ZINC001042367256 656765390 /nfs/dbraw/zinc/76/53/90/656765390.db2.gz DLPXLKWAZVOWDR-NVXWUHKLSA-N 0 3 324.424 3.464 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@H]21 ZINC001042374710 656767111 /nfs/dbraw/zinc/76/71/11/656767111.db2.gz LVWXZBCLEXKURL-BQTPPKLHSA-N 0 3 316.489 3.312 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3sccc3Cl)C2)C1 ZINC000981786387 656768241 /nfs/dbraw/zinc/76/82/41/656768241.db2.gz GWDDVVDXTSFFBD-UHFFFAOYSA-N 0 3 310.850 3.126 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001052782278 656768507 /nfs/dbraw/zinc/76/85/07/656768507.db2.gz XOPMYRAXUOGYRM-ZVDOUQERSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001052823367 656772767 /nfs/dbraw/zinc/77/27/67/656772767.db2.gz 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C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3C3CC3)C2)C1 ZINC000981918116 656802075 /nfs/dbraw/zinc/80/20/75/656802075.db2.gz OKAKCHLUMYNBCG-QZTJIDSGSA-N 0 3 316.489 3.313 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC001052984086 656808345 /nfs/dbraw/zinc/80/83/45/656808345.db2.gz YBGZCNMQGDMUKH-FQEVSTJZSA-N 0 3 322.452 3.471 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028160288 656820135 /nfs/dbraw/zinc/82/01/35/656820135.db2.gz QIBYYXZAYSZJGG-GFCCVEGCSA-N 0 3 310.800 3.249 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cccc(C)c2)C1 ZINC001053060409 656834033 /nfs/dbraw/zinc/83/40/33/656834033.db2.gz HGKAGJMPZLQRBX-PMACEKPBSA-N 0 3 324.468 3.335 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001053059907 656834697 /nfs/dbraw/zinc/83/46/97/656834697.db2.gz AJYLSXXOZJATHT-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001053072320 656844859 /nfs/dbraw/zinc/84/48/59/656844859.db2.gz 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/nfs/dbraw/zinc/90/02/53/656900253.db2.gz IFLLONYUSHAEKU-SFHVURJKSA-N 0 3 312.457 3.202 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000982126247 656900950 /nfs/dbraw/zinc/90/09/50/656900950.db2.gz QPXIXAXMPAQNHB-UHFFFAOYSA-N 0 3 304.821 3.064 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3(C)CCC(C)CC3)C2)C1 ZINC000982167373 656909061 /nfs/dbraw/zinc/90/90/61/656909061.db2.gz IWFMACIRMBCMOT-UHFFFAOYSA-N 0 3 304.478 3.313 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C[C@H]3CCCC[C@@H]3C)C2)C1 ZINC000982168809 656910500 /nfs/dbraw/zinc/91/05/00/656910500.db2.gz DCOXNWWSECUBIW-DLBZAZTESA-N 0 3 304.478 3.313 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)=C1CCCC1)C2 ZINC001054113279 656913528 /nfs/dbraw/zinc/91/35/28/656913528.db2.gz HEUXKYOTAGUJSV-FQEVSTJZSA-N 0 3 314.473 3.215 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC3CCCCC3)C[C@]2(C)C1 ZINC000982200075 656915503 /nfs/dbraw/zinc/91/55/03/656915503.db2.gz CWHBJABKGQRSQA-BGYRXZFFSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC3=CCCCC3)C[C@]2(C)C1 ZINC000982237025 656923102 /nfs/dbraw/zinc/92/31/02/656923102.db2.gz SYTXBGSXQHXIEY-BGYRXZFFSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1(C)CCCCC1)C2 ZINC001054191062 656931346 /nfs/dbraw/zinc/93/13/46/656931346.db2.gz YISGDNPJDAEKKH-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(C)cs3)C[C@]2(C)C1 ZINC000982274928 656932346 /nfs/dbraw/zinc/93/23/46/656932346.db2.gz XICHPAQVNNKPOC-CALCHBBNSA-N 0 3 304.459 3.027 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001054192785 656933421 /nfs/dbraw/zinc/93/34/21/656933421.db2.gz JJPWVUYCYGHZEN-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CC1CCCC1)C2 ZINC001054206146 656937224 /nfs/dbraw/zinc/93/72/24/656937224.db2.gz AJTPICWGBVXSBB-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000982298294 656940864 /nfs/dbraw/zinc/94/08/64/656940864.db2.gz 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ZINC001028306781 656988884 /nfs/dbraw/zinc/98/88/84/656988884.db2.gz OFBMCMKSYOFTHP-MRXNPFEDSA-N 0 3 303.450 3.066 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001028337737 656997001 /nfs/dbraw/zinc/99/70/01/656997001.db2.gz RJHNUJZMHHFLGV-OAHLLOKOSA-N 0 3 324.424 3.213 20 30 DGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1cnc(CC(C)C)s1 ZINC001028344783 657000779 /nfs/dbraw/zinc/00/07/79/657000779.db2.gz ODJZLAVAWDZCAD-CQSZACIVSA-N 0 3 321.490 3.112 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2)co1 ZINC001028354087 657004346 /nfs/dbraw/zinc/00/43/46/657004346.db2.gz JSIJKTCHXSTPEF-GOSISDBHSA-N 0 3 322.408 3.164 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccc4[nH]ccc4c3)C[C@]2(C)C1 ZINC000982492287 657015413 /nfs/dbraw/zinc/01/54/13/657015413.db2.gz PVMFPJBCJNPPBA-BGYRXZFFSA-N 0 3 323.440 3.138 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[C@@H]3C)C[C@]2(C)C1 ZINC000982492738 657015477 /nfs/dbraw/zinc/01/54/77/657015477.db2.gz VSXYKMWZCTXGFC-KVPLUYHFSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2sc(C3CC3)nc2C)CC1 ZINC001045433420 657022748 /nfs/dbraw/zinc/02/27/48/657022748.db2.gz HJTRJODSBFDDND-UHFFFAOYSA-N 0 3 319.474 3.099 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(CCC)s2)CC1 ZINC001045452389 657025527 /nfs/dbraw/zinc/02/55/27/657025527.db2.gz JSBYPPZOVNZBRF-UHFFFAOYSA-N 0 3 306.475 3.471 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001045476288 657027373 /nfs/dbraw/zinc/02/73/73/657027373.db2.gz IQSFYGIDNIMHJE-LSDHHAIUSA-N 0 3 304.459 3.008 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC001054976892 657027958 /nfs/dbraw/zinc/02/79/58/657027958.db2.gz QNMJCDKSAFNCBE-LRDDRELGSA-N 0 3 322.399 3.114 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC001045478009 657028137 /nfs/dbraw/zinc/02/81/37/657028137.db2.gz MBROPKIAWVMTJI-LJQANCHMSA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001045486074 657028923 /nfs/dbraw/zinc/02/89/23/657028923.db2.gz IJQHKUVFBUDPIS-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001045486076 657029065 /nfs/dbraw/zinc/02/90/65/657029065.db2.gz IJQHKUVFBUDPIS-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cccc3ccncc32)CC1 ZINC001045606235 657041874 /nfs/dbraw/zinc/04/18/74/657041874.db2.gz PQQGNDNHTYYLSP-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC001045608271 657042394 /nfs/dbraw/zinc/04/23/94/657042394.db2.gz MAFJSMVRZDVCCK-WIYYLYMNSA-N 0 3 324.468 3.047 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(F)c3occc32)CC1 ZINC001045645214 657047665 /nfs/dbraw/zinc/04/76/65/657047665.db2.gz RWSIKBCOMBNOGZ-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccc(C)cc3F)C[C@]2(C)C1 ZINC000982594243 657059306 /nfs/dbraw/zinc/05/93/06/657059306.db2.gz DHXDSWKOJGPDJA-KDURUIRLSA-N 0 3 316.420 3.104 20 30 DGEDHN C/C=C(/C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001045748338 657061554 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C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1(C)CCCC1)C2 ZINC001045937224 657099861 /nfs/dbraw/zinc/09/98/61/657099861.db2.gz XBRGOKZWNJSNFH-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)C1CCC1)C2 ZINC001045948139 657103035 /nfs/dbraw/zinc/10/30/35/657103035.db2.gz WIKYCDXXWABTCO-YLJYHZDGSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001045955724 657103873 /nfs/dbraw/zinc/10/38/73/657103873.db2.gz IYLVVHFVDSOTMN-FQEVSTJZSA-N 0 3 316.489 3.317 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc3sccc3s2)C1 ZINC001028631241 657105583 /nfs/dbraw/zinc/10/55/83/657105583.db2.gz CEHPQZUBAILQHV-LBPRGKRZSA-N 0 3 318.467 3.038 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC1(C)C)C2 ZINC001045959365 657106122 /nfs/dbraw/zinc/10/61/22/657106122.db2.gz NWRVPGLQALJDNF-FXAWDEMLSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001045964454 657107818 /nfs/dbraw/zinc/10/78/18/657107818.db2.gz 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CC#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)C[C@@H]1C ZINC000948006137 659265408 /nfs/dbraw/zinc/26/54/08/659265408.db2.gz FIJYUCCHBOBHFZ-LSDHHAIUSA-N 0 3 318.486 3.225 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)C3CCC4(CC4)CC3)CCC[C@@H]12 ZINC000991887401 659276628 /nfs/dbraw/zinc/27/66/28/659276628.db2.gz XEJLXJNDHSNWJC-VQIMIIECSA-N 0 3 302.462 3.256 20 30 DGEDHN CC(=O)Nc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000171562894 659288137 /nfs/dbraw/zinc/28/81/37/659288137.db2.gz FZOLSMCQRHQOGP-AWEZNQCLSA-N 0 3 323.396 3.226 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2scc(C)c2Cl)C[C@@H]1C ZINC000947338536 659291792 /nfs/dbraw/zinc/29/17/92/659291792.db2.gz MMGGPAODXDQASG-RYUDHWBXSA-N 0 3 312.866 3.479 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)CCC[C@@H]12 ZINC000991938659 659403283 /nfs/dbraw/zinc/40/32/83/659403283.db2.gz ZRBHHOLWESVOIH-UYWIDEMCSA-N 0 3 324.468 3.263 20 30 DGEDHN C#CCCCN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000174273851 659426616 /nfs/dbraw/zinc/42/66/16/659426616.db2.gz 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659500168 /nfs/dbraw/zinc/50/01/68/659500168.db2.gz YBXJPLCHSZQKTA-SFHVURJKSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(F)c3Cl)CCC[C@@H]12 ZINC000992256821 659500687 /nfs/dbraw/zinc/50/06/87/659500687.db2.gz HRZZQOBXRMRKCW-PBHICJAKSA-N 0 3 322.811 3.392 20 30 DGEDHN C=Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(CC#CC)CC3)cc1 ZINC000992280607 659507634 /nfs/dbraw/zinc/50/76/34/659507634.db2.gz BVTMXMKKCYUIQN-QUCCMNQESA-N 0 3 308.425 3.080 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)CCC[C@@H]12 ZINC000992310899 659519561 /nfs/dbraw/zinc/51/95/61/659519561.db2.gz NFEYOJFRKLQAMU-QEUVDIPISA-N 0 3 324.468 3.398 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccc(CC)cc3)CCC[C@@H]12 ZINC000992320110 659523654 /nfs/dbraw/zinc/52/36/54/659523654.db2.gz SLVHLABQMFKUJN-LDQXTDLNSA-N 0 3 324.468 3.099 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)CCC[C@@H]12 ZINC000992386549 659538510 /nfs/dbraw/zinc/53/85/10/659538510.db2.gz YCZQNEPRRHKCDH-MLYOOKFZSA-N 0 3 316.489 3.195 20 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C=C(C)CN1C[C@H](NC(=O)c2ccc3cccnc3c2)CC[C@H]1C ZINC001071915083 686790598 /nfs/dbraw/zinc/79/05/98/686790598.db2.gz WXBKDMZQMVUPPH-CRAIPNDOSA-N 0 3 323.440 3.394 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC[C@H]1C ZINC001071935204 686792635 /nfs/dbraw/zinc/79/26/35/686792635.db2.gz YQVACGOHICLMFL-MKXGPGLRSA-N 0 3 318.505 3.441 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(C(C)C)c2)CC[C@@H]1C ZINC001071962836 686798155 /nfs/dbraw/zinc/79/81/55/686798155.db2.gz BVPHUQDMKXUBER-LPHOPBHVSA-N 0 3 312.457 3.416 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2oc(CCC)nc2C)CC[C@H]1C ZINC001071993724 686809015 /nfs/dbraw/zinc/80/90/15/686809015.db2.gz WOGXAIFWPNGUNH-HIFRSBDPSA-N 0 3 319.449 3.094 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2c(F)cccc2Cl)CC[C@H]1C ZINC001072012331 686817730 /nfs/dbraw/zinc/81/77/30/686817730.db2.gz MFLDSXJKHKAVPJ-CHWSQXEVSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN1C[C@H](NC(=O)Cc2sc(C)cc2C)CC[C@@H]1C ZINC001072032683 686832170 /nfs/dbraw/zinc/83/21/70/686832170.db2.gz 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CC(C)C(=O)N1CCCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001073952653 687241821 /nfs/dbraw/zinc/24/18/21/687241821.db2.gz CFFJENIGFMMCHF-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001075825896 687447455 /nfs/dbraw/zinc/44/74/55/687447455.db2.gz HBNTXAIMTITTFU-OKZBNKHCSA-N 0 3 302.462 3.232 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076461222 687526325 /nfs/dbraw/zinc/52/63/25/687526325.db2.gz WRYMSAQAMKADNW-IXDOHACOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)[C@@H]2C1 ZINC001076632241 687546344 /nfs/dbraw/zinc/54/63/44/687546344.db2.gz PCVDKCNTEKKEES-QFBILLFUSA-N 0 3 321.424 3.014 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccccc2C)C12CCC2 ZINC001078541640 687679473 /nfs/dbraw/zinc/67/94/73/687679473.db2.gz TZEONEZUEJLGFB-CVEARBPZSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C)c2)C12CCC2 ZINC001078543719 687680358 /nfs/dbraw/zinc/68/03/58/687680358.db2.gz SHKYYIFLHZAOLH-HOTGVXAUSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(C3CC3)CCC2)C12CCC2 ZINC001078689946 687704849 /nfs/dbraw/zinc/70/48/49/687704849.db2.gz FPLXRPJBTCUTIT-HUUCEWRRSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CCCC2)C12CCC2 ZINC001078693131 687706341 /nfs/dbraw/zinc/70/63/41/687706341.db2.gz MKODSWNDEWPOSL-KBPBESRZSA-N 0 3 310.869 3.336 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2coc3ccc(CC)cc23)C1 ZINC001079706320 687875628 /nfs/dbraw/zinc/87/56/28/687875628.db2.gz ZSCPXELFPUXKAJ-RDTXWAMCSA-N 0 3 324.424 3.069 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001079711889 687878623 /nfs/dbraw/zinc/87/86/23/687878623.db2.gz XEYLSTPMTPMGTH-XGXHKWSGSA-N 0 3 312.457 3.193 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001080088215 687919391 /nfs/dbraw/zinc/91/93/91/687919391.db2.gz KUWSLKKRFGIJCE-AUUYWEPGSA-N 0 3 320.436 3.175 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001080378722 687965603 /nfs/dbraw/zinc/96/56/03/687965603.db2.gz UVSHJRBJQXXICT-JKIFEVAISA-N 0 3 320.864 3.456 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001080560493 687994824 /nfs/dbraw/zinc/99/48/24/687994824.db2.gz NCYMRTREBUSONM-CZUORRHYSA-N 0 3 314.454 3.066 20 30 DGEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001080581206 687997862 /nfs/dbraw/zinc/99/78/62/687997862.db2.gz CJENXVKFCFTHPQ-TZMCWYRMSA-N 0 3 319.474 3.037 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001080999822 688032418 /nfs/dbraw/zinc/03/24/18/688032418.db2.gz KLFNHGSPEABGKT-RHSMWYFYSA-N 0 3 324.424 3.123 20 30 DGEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)C2CCCC2)C[C@H]1c1ccccc1 ZINC001081213562 688059303 /nfs/dbraw/zinc/05/93/03/688059303.db2.gz DPNLQLXTDSSMMB-FFZOFVMBSA-N 0 3 324.468 3.030 20 30 DGEDHN CCCC[C@H](N)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001577404376 1191898172 /nfs/dbraw/zinc/89/81/72/1191898172.db2.gz VOJVLIQAAUMXJB-QWHCGFSZSA-N 0 3 314.216 3.192 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001577430052 1191901535 /nfs/dbraw/zinc/90/15/35/1191901535.db2.gz KXOCIUQQDDSIIU-YYIAUSFCSA-N 0 3 310.482 3.138 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc2nc(C)nn2c1 ZINC001577429992 1191901676 /nfs/dbraw/zinc/90/16/76/1191901676.db2.gz HAAIDWXXNXRYIU-HNNXBMFYSA-N 0 3 317.437 3.054 20 30 DGEDHN CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H](N)CCCC#N ZINC001578259850 1191934675 /nfs/dbraw/zinc/93/46/75/1191934675.db2.gz MALAGCNDHMJAQR-AWEZNQCLSA-N 0 3 307.825 3.424 20 30 DGEDHN CSc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC001579388531 1191975184 /nfs/dbraw/zinc/97/51/84/1191975184.db2.gz XHURJNMVYIHJHK-NSHDSACASA-N 0 3 311.838 3.412 20 30 DGEDHN Cc1ccc([C@@H]2CCN(C(=O)[C@H](N)CCCCC#N)C2)c(C)c1 ZINC001579679002 1191986583 /nfs/dbraw/zinc/98/65/83/1191986583.db2.gz QUBOZOZDOYJWMB-SJLPKXTDSA-N 0 3 313.445 3.031 20 30 DGEDHN N#Cc1ccc(N2CCN(CCCC3CCCCC3)CC2)cn1 ZINC001620559187 1191987450 /nfs/dbraw/zinc/98/74/50/1191987450.db2.gz NHSPRCKJAHJLOM-UHFFFAOYSA-N 0 3 312.461 3.436 20 30 DGEDHN Cc1cccc(C2=CCN(C(=O)[C@@H](N)CCCCC#N)CC2)c1 ZINC001579756017 1191991486 /nfs/dbraw/zinc/99/14/86/1191991486.db2.gz BQOGIJRVEHFIOX-SFHVURJKSA-N 0 3 311.429 3.022 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC001580049278 1192004916 /nfs/dbraw/zinc/00/49/16/1192004916.db2.gz MSFDEOYNGVRDPI-SJORKVTESA-N 0 3 305.466 3.359 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001661743625 1196638753 /nfs/dbraw/zinc/63/87/53/1196638753.db2.gz PSXNTZZTZJPKTD-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CCC1(F)F ZINC001663071410 1196788998 /nfs/dbraw/zinc/78/89/98/1196788998.db2.gz CDYUPVDVOFCVNB-OLZOCXBDSA-N 0 3 320.811 3.145 20 30 DGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001588560511 1192449630 /nfs/dbraw/zinc/44/96/30/1192449630.db2.gz RURBERASONBNQY-OAHLLOKOSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CC[C@@H]1CCC[N@H+](Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001588560511 1192449633 /nfs/dbraw/zinc/44/96/33/1192449633.db2.gz RURBERASONBNQY-OAHLLOKOSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001588560511 1192449635 /nfs/dbraw/zinc/44/96/35/1192449635.db2.gz RURBERASONBNQY-OAHLLOKOSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CC[C@@H]1CCC[N@H+](Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001588560511 1192449639 /nfs/dbraw/zinc/44/96/39/1192449639.db2.gz RURBERASONBNQY-OAHLLOKOSA-N 0 3 311.433 3.272 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588539369 1192449657 /nfs/dbraw/zinc/44/96/57/1192449657.db2.gz IUMCIVJAVGANFV-LLVKDONJSA-N 0 3 303.385 3.259 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588539369 1192449660 /nfs/dbraw/zinc/44/96/60/1192449660.db2.gz IUMCIVJAVGANFV-LLVKDONJSA-N 0 3 303.385 3.259 20 30 DGEDHN C=CCCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588579524 1192451790 /nfs/dbraw/zinc/45/17/90/1192451790.db2.gz NRWOPDHUCNZDIN-UHFFFAOYSA-N 0 3 311.433 3.483 20 30 DGEDHN C=CCCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588579524 1192451794 /nfs/dbraw/zinc/45/17/94/1192451794.db2.gz NRWOPDHUCNZDIN-UHFFFAOYSA-N 0 3 311.433 3.483 20 30 DGEDHN CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001589037193 1192455647 /nfs/dbraw/zinc/45/56/47/1192455647.db2.gz APDJSLAEIGRKBT-GOSISDBHSA-N 0 3 311.429 3.495 20 30 DGEDHN C[N@H+](CCCCC(C)(C)C#N)Cc1cc(-c2nnn[n-]2)cs1 ZINC001591067403 1192557743 /nfs/dbraw/zinc/55/77/43/1192557743.db2.gz WBHTVXBHVJKNTG-UHFFFAOYSA-N 0 3 318.450 3.080 20 30 DGEDHN C[N@@H+](CCCCC(C)(C)C#N)Cc1cc(-c2nnn[n-]2)cs1 ZINC001591067403 1192557747 /nfs/dbraw/zinc/55/77/47/1192557747.db2.gz WBHTVXBHVJKNTG-UHFFFAOYSA-N 0 3 318.450 3.080 20 30 DGEDHN C[N@H+](CCCCC(C)(C)C#N)Cc1cc(-c2nn[n-]n2)cs1 ZINC001591067403 1192557750 /nfs/dbraw/zinc/55/77/50/1192557750.db2.gz WBHTVXBHVJKNTG-UHFFFAOYSA-N 0 3 318.450 3.080 20 30 DGEDHN C[N@@H+](CCCCC(C)(C)C#N)Cc1cc(-c2nn[n-]n2)cs1 ZINC001591067403 1192557753 /nfs/dbraw/zinc/55/77/53/1192557753.db2.gz WBHTVXBHVJKNTG-UHFFFAOYSA-N 0 3 318.450 3.080 20 30 DGEDHN C=CCC1(C(=O)NCCN(C)CCc2ccccc2F)CCC1 ZINC001690974967 1176055947 /nfs/dbraw/zinc/05/59/47/1176055947.db2.gz MZCMRHLDFSTQTL-UHFFFAOYSA-N 0 3 318.436 3.163 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001699639781 1176058646 /nfs/dbraw/zinc/05/86/46/1176058646.db2.gz VQRPMSNSJAGUIE-NWDGAFQWSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1C ZINC001691769920 1176062425 /nfs/dbraw/zinc/06/24/25/1176062425.db2.gz YRTVNYSEMNHOBE-JLSDUUJJSA-N 0 3 318.436 3.330 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001691002835 1176085350 /nfs/dbraw/zinc/08/53/50/1176085350.db2.gz VIAYTJLBLUUSDT-CQSZACIVSA-N 0 3 308.853 3.143 20 30 DGEDHN C#CCN(CC#C)CCCCCCCNC(=O)OC(C)(C)C ZINC001772516083 1176105232 /nfs/dbraw/zinc/10/52/32/1176105232.db2.gz XCYNQUGMMAODOS-UHFFFAOYSA-N 0 3 306.450 3.030 20 30 DGEDHN C#CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C1CCN(CC(=C)C)CC1 ZINC001671487034 1176148952 /nfs/dbraw/zinc/14/89/52/1176148952.db2.gz JDNGXUAUNGBLLG-ZWKOTPCHSA-N 0 3 316.489 3.315 20 30 DGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001670623256 1176194023 /nfs/dbraw/zinc/19/40/23/1176194023.db2.gz CAJAFUIQHYDEEN-AWEZNQCLSA-N 0 3 302.409 3.193 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001670671955 1176210127 /nfs/dbraw/zinc/21/01/27/1176210127.db2.gz HKFWTGNONRUNCM-MRXNPFEDSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001670691455 1176220096 /nfs/dbraw/zinc/22/00/96/1176220096.db2.gz JFYKCVCFFHKCMX-AWEZNQCLSA-N 0 3 306.837 3.419 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001772541409 1176272963 /nfs/dbraw/zinc/27/29/63/1176272963.db2.gz XMONXIKFLYYGQB-AWEZNQCLSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C(F)(F)F ZINC001691053109 1176278591 /nfs/dbraw/zinc/27/85/91/1176278591.db2.gz KHYUJIVMFVSGRU-UONOGXRCSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CC1(CC(=O)N(C)C[C@H]2CCN2C[C@@H](C)OC)CCCCC1 ZINC001691061719 1176285982 /nfs/dbraw/zinc/28/59/82/1176285982.db2.gz JCAQJCKPDMZYMF-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001691068969 1176292879 /nfs/dbraw/zinc/29/28/79/1176292879.db2.gz SZNIKPAKHCENPA-HCZHMGAMSA-N 0 3 324.468 3.099 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001691089571 1176302638 /nfs/dbraw/zinc/30/26/38/1176302638.db2.gz PVZNRZGXXBCRKY-LJQANCHMSA-N 0 3 314.473 3.194 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001691097332 1176310090 /nfs/dbraw/zinc/31/00/90/1176310090.db2.gz JUJHOBHLIRUBEV-XJKSGUPXSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001691100221 1176311493 /nfs/dbraw/zinc/31/14/93/1176311493.db2.gz PKBLMJBFWVMFRR-GGPKGHCWSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001691098570 1176311675 /nfs/dbraw/zinc/31/16/75/1176311675.db2.gz QMFZREYHFHZMJV-UPJWGTAASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001691107808 1176319219 /nfs/dbraw/zinc/31/92/19/1176319219.db2.gz QILWKXBPCKHSCW-OTVXOJSOSA-N 0 3 310.869 3.194 20 30 DGEDHN C#CCCCC(=O)NCCN(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001691207043 1176385526 /nfs/dbraw/zinc/38/55/26/1176385526.db2.gz CAINNTXCTNBJJG-UHFFFAOYSA-N 0 3 323.440 3.052 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCN(Cc1ccc2ccccc2c1)C1CC1 ZINC001691205397 1176391378 /nfs/dbraw/zinc/39/13/78/1176391378.db2.gz UOWFESBPHIXXCN-HNNXBMFYSA-N 0 3 321.424 3.080 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2ccc(F)cc2s1)C1CC1 ZINC001691215062 1176396215 /nfs/dbraw/zinc/39/62/15/1176396215.db2.gz DWYLNBBPFFMSOE-UHFFFAOYSA-N 0 3 318.417 3.421 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(F)(F)F)s1)C1CC1 ZINC001691239406 1176409719 /nfs/dbraw/zinc/40/97/19/1176409719.db2.gz NRJCBBFKHRTMTG-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H](CC)C(C)C)C2)CC1 ZINC001691277139 1176420821 /nfs/dbraw/zinc/42/08/21/1176420821.db2.gz PSPYTKFCZVWIJD-ZWKOTPCHSA-N 0 3 318.505 3.395 20 30 DGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C=C1CCC1 ZINC001691294751 1176427316 /nfs/dbraw/zinc/42/73/16/1176427316.db2.gz MPGWYAJVPUDAJN-BBRMVZONSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 ZINC001691773007 1176436973 /nfs/dbraw/zinc/43/69/73/1176436973.db2.gz UPSOVAPRISDOEY-DOJUMQAQSA-N 0 3 310.397 3.316 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001691331064 1176442138 /nfs/dbraw/zinc/44/21/38/1176442138.db2.gz PSVABXYOUFIPDQ-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(C)CC[NH2+][C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001691773335 1176447867 /nfs/dbraw/zinc/44/78/67/1176447867.db2.gz XIVJMJVOKIOHPI-GOSISDBHSA-N 0 3 324.424 3.419 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCNCc1cc(C)ccc1OC ZINC001691423952 1176477641 /nfs/dbraw/zinc/47/76/41/1176477641.db2.gz VCEANFRQIPKBCZ-UHFFFAOYSA-N 0 3 318.461 3.154 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@@H]2C1(C)C ZINC001691429142 1176535788 /nfs/dbraw/zinc/53/57/88/1176535788.db2.gz VWSBBDFGMIYZBL-DVYVTFFNSA-N 0 3 314.473 3.137 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001698993889 1176562205 /nfs/dbraw/zinc/56/22/05/1176562205.db2.gz FKOZHQIVEXDQOC-UHFFFAOYSA-N 0 3 320.864 3.031 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(C[C@H](F)CC)CC(C)(C)C1 ZINC001750947292 1176575851 /nfs/dbraw/zinc/57/58/51/1176575851.db2.gz UOCHWOIXKPENSN-CVEARBPZSA-N 0 3 310.457 3.145 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001754556985 1176603990 /nfs/dbraw/zinc/60/39/90/1176603990.db2.gz LZJROCZYTPYPIA-YLJYHZDGSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001754557752 1176604212 /nfs/dbraw/zinc/60/42/12/1176604212.db2.gz NEZQIDQXHXTSQF-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001754557754 1176604668 /nfs/dbraw/zinc/60/46/68/1176604668.db2.gz NEZQIDQXHXTSQF-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@@H]1CC ZINC001691462578 1176627304 /nfs/dbraw/zinc/62/73/04/1176627304.db2.gz QVWOWXGXGHDEAY-ZWKOTPCHSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccccc2F)CC1 ZINC001752431487 1176781636 /nfs/dbraw/zinc/78/16/36/1176781636.db2.gz HVSRUQAUZOVTEF-UHFFFAOYSA-N 0 3 304.409 3.328 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC001598188447 1192766091 /nfs/dbraw/zinc/76/60/91/1192766091.db2.gz GTKDRXRXUYKBIZ-HUUCEWRRSA-N 0 3 300.512 3.241 20 30 DGEDHN Cc1ccccc1CN1CC[C@@](C)(NC(=O)C#CC(C)(C)C)C1 ZINC001671645315 1176813464 /nfs/dbraw/zinc/81/34/64/1176813464.db2.gz WGZUJXBPBWBETH-HXUWFJFHSA-N 0 3 312.457 3.125 20 30 DGEDHN CC(C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)=C1CCC1 ZINC001691497847 1176851724 /nfs/dbraw/zinc/85/17/24/1176851724.db2.gz HSTDZRFBMDGZGJ-KESTWPANSA-N 0 3 322.452 3.023 20 30 DGEDHN CC(C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1)=C1CCC1 ZINC001753688218 1176933131 /nfs/dbraw/zinc/93/31/31/1176933131.db2.gz ABNKGFWBWQOHTH-GFCCVEGCSA-N 0 3 317.458 3.057 20 30 DGEDHN C=C(C)CCC(=O)N1CCc2sc(CNCCCC)nc2C1 ZINC001691805633 1176987755 /nfs/dbraw/zinc/98/77/55/1176987755.db2.gz XQWNLKSJGDLMTR-UHFFFAOYSA-N 0 3 321.490 3.274 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]2CN(CC#CC)CC[C@@H]21 ZINC001752704897 1177031250 /nfs/dbraw/zinc/03/12/50/1177031250.db2.gz HOAPXXFNSVRYRB-OALUTQOASA-N 0 3 314.473 3.091 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(Cl)cc(OC)c1)C(C)C ZINC001700974862 1177047524 /nfs/dbraw/zinc/04/75/24/1177047524.db2.gz DCORLNUIURFYQE-UHFFFAOYSA-N 0 3 324.852 3.317 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)cc1OC ZINC001755579667 1177068407 /nfs/dbraw/zinc/06/84/07/1177068407.db2.gz IIBBCRDGLPFNRK-CYBMUJFWSA-N 0 3 324.852 3.251 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001691534155 1177250848 /nfs/dbraw/zinc/25/08/48/1177250848.db2.gz SVUOGJFWEYZBPU-UBHSHLNASA-N 0 3 310.825 3.010 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC001752837752 1177288731 /nfs/dbraw/zinc/28/87/31/1177288731.db2.gz NAVNRNXXJVWXGO-ZFWWWQNUSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1ccc(C)s1 ZINC001733147417 1177401515 /nfs/dbraw/zinc/40/15/15/1177401515.db2.gz IRUHSRGWTLLCFB-UHFFFAOYSA-N 0 3 314.882 3.180 20 30 DGEDHN C#CCCCCC(=O)N1CCC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001671050233 1177583551 /nfs/dbraw/zinc/58/35/51/1177583551.db2.gz NRXFUKSCTYDSPH-KRWDZBQOSA-N 0 3 322.468 3.243 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001691659383 1177600414 /nfs/dbraw/zinc/60/04/14/1177600414.db2.gz HEOCLLWCFJMTCR-AEGPPILISA-N 0 3 324.852 3.400 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001691665409 1177616663 /nfs/dbraw/zinc/61/66/63/1177616663.db2.gz DGRPGLHANXLDKZ-HZPDHXFCSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001691665410 1177616704 /nfs/dbraw/zinc/61/67/04/1177616704.db2.gz DGRPGLHANXLDKZ-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001691670686 1177632135 /nfs/dbraw/zinc/63/21/35/1177632135.db2.gz SCHSQFUWDZLLDX-MRXNPFEDSA-N 0 3 315.461 3.006 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001691674277 1177671370 /nfs/dbraw/zinc/67/13/70/1177671370.db2.gz BOAPPGMAQXHJNB-KGLIPLIRSA-N 0 3 322.399 3.466 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC001113664805 1177726487 /nfs/dbraw/zinc/72/64/87/1177726487.db2.gz AARQNYXTOHUKFP-HKUYNNGSSA-N 0 3 312.457 3.455 20 30 DGEDHN O=C(CC#Cc1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC001113664890 1177727011 /nfs/dbraw/zinc/72/70/11/1177727011.db2.gz FBYJIZOVUKWENG-UHFFFAOYSA-N 0 3 324.468 3.153 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](C)CCCCC)C2)C1 ZINC001671084685 1177773607 /nfs/dbraw/zinc/77/36/07/1177773607.db2.gz FRNYWMQGJWJLDD-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001691701462 1177846671 /nfs/dbraw/zinc/84/66/71/1177846671.db2.gz ZHFFKCYSUBGSPG-WOVMCDHWSA-N 0 3 316.420 3.004 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCCNCc2cnc(C)o2)CC1 ZINC001330909603 1178089119 /nfs/dbraw/zinc/08/91/19/1178089119.db2.gz HFRURJXCOKVDOC-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@H](CNCCF)C2CC2)CCCCC1 ZINC001331360724 1178194345 /nfs/dbraw/zinc/19/43/45/1178194345.db2.gz OLUDPNIZIAOGHF-MRXNPFEDSA-N 0 3 310.457 3.309 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001331405511 1178205507 /nfs/dbraw/zinc/20/55/07/1178205507.db2.gz KYLBJRLQMLWSRB-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN C[C@H](CN(C)C(=O)C#CC(C)(C)C)N[C@@H](C)c1ccccc1F ZINC001331440566 1178215249 /nfs/dbraw/zinc/21/52/49/1178215249.db2.gz SVADMHBTXKAEPO-CABCVRRESA-N 0 3 318.436 3.373 20 30 DGEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc2ccccc21 ZINC001331474279 1178222062 /nfs/dbraw/zinc/22/20/62/1178222062.db2.gz JSIPISIZUXOBQK-ROUUACIJSA-N 0 3 309.413 3.428 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001331886337 1178298193 /nfs/dbraw/zinc/29/81/93/1178298193.db2.gz HQIRXXDWNFYGQM-UKRRQHHQSA-N 0 3 321.852 3.170 20 30 DGEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)CC1CCCC1 ZINC001331954246 1178318131 /nfs/dbraw/zinc/31/81/31/1178318131.db2.gz OYKUPDGQNHQNFW-PXNSSMCTSA-N 0 3 324.468 3.197 20 30 DGEDHN CC(C)CCC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001331953150 1178318540 /nfs/dbraw/zinc/31/85/40/1178318540.db2.gz FWQIBCPYXFVSCU-IEBWSBKVSA-N 0 3 312.457 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001331993143 1178330695 /nfs/dbraw/zinc/33/06/95/1178330695.db2.gz VZWPMUPLNRZNDA-UONOGXRCSA-N 0 3 317.458 3.055 20 30 DGEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCCCc2cccs2)C1 ZINC001332033328 1178341957 /nfs/dbraw/zinc/34/19/57/1178341957.db2.gz UNCCTFINSUXLDJ-CVEARBPZSA-N 0 3 318.486 3.063 20 30 DGEDHN CC(C)=CC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001332066518 1178349823 /nfs/dbraw/zinc/34/98/23/1178349823.db2.gz APMANFXMPAQYCY-ICSRJNTNSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001332239298 1178402388 /nfs/dbraw/zinc/40/23/88/1178402388.db2.gz GXAKQZGJXZZZMN-KBPBESRZSA-N 0 3 322.399 3.306 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C[C@@H]1CC[C@H](C)O1)C(C)C ZINC001332707703 1178479187 /nfs/dbraw/zinc/47/91/87/1178479187.db2.gz PJFNRWFQSCODED-IRXDYDNUSA-N 0 3 324.509 3.325 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1ccc2ncccc2c1)C(C)C ZINC001332725024 1178482893 /nfs/dbraw/zinc/48/28/93/1178482893.db2.gz XYOCUTHRDHLUIG-UHFFFAOYSA-N 0 3 311.429 3.203 20 30 DGEDHN C=CCN(C)CCN(C(=O)COc1ccc(C)cc1C)C(C)C ZINC001332741122 1178490398 /nfs/dbraw/zinc/49/03/98/1178490398.db2.gz UNABPZJHUFUMOM-UHFFFAOYSA-N 0 3 318.461 3.037 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1cnoc1C)C(C)(C)C ZINC001332806744 1178501233 /nfs/dbraw/zinc/50/12/33/1178501233.db2.gz HFIZMPLSYDEKTI-HNNXBMFYSA-N 0 3 321.465 3.206 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001332843896 1178506937 /nfs/dbraw/zinc/50/69/37/1178506937.db2.gz QAPGTUBSPXHJER-HIFRSBDPSA-N 0 3 323.506 3.366 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@](C)(F)CCCC)CC1 ZINC001332949723 1178527469 /nfs/dbraw/zinc/52/74/69/1178527469.db2.gz KJYGVPFCCXLCSH-QAPCUYQASA-N 0 3 310.457 3.145 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333107605 1178555837 /nfs/dbraw/zinc/55/58/37/1178555837.db2.gz JKHBOGFOIIOWGB-SFQUDFHCSA-N 0 3 322.452 3.140 20 30 DGEDHN N#CC[C@@H](O)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001333891163 1178691296 /nfs/dbraw/zinc/69/12/96/1178691296.db2.gz QZLQQKJHKUFPKQ-QZTJIDSGSA-N 0 3 316.351 3.113 20 30 DGEDHN COC(=O)c1ccc(CN2CCC(C)(C#N)CC2)c2ncccc12 ZINC001333918746 1178695502 /nfs/dbraw/zinc/69/55/02/1178695502.db2.gz JRRWJZUCQIIYEO-UHFFFAOYSA-N 0 3 323.396 3.147 20 30 DGEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC001334128867 1178724935 /nfs/dbraw/zinc/72/49/35/1178724935.db2.gz NWVQSLUKNCQRQO-LMMKCTJWSA-N 0 3 323.440 3.176 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001336037467 1178985341 /nfs/dbraw/zinc/98/53/41/1178985341.db2.gz UJRYZOKWVADNIH-GOSISDBHSA-N 0 3 316.445 3.305 20 30 DGEDHN Cc1cccc(NC[C@H]2CCCN2Cc2cc(C#N)cs2)n1 ZINC001341567152 1179029298 /nfs/dbraw/zinc/02/92/98/1179029298.db2.gz CUPYGHKDONPUEB-OAHLLOKOSA-N 0 3 312.442 3.400 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001342060466 1179096626 /nfs/dbraw/zinc/09/66/26/1179096626.db2.gz NOBCJBJZKBBZIP-CABCVRRESA-N 0 3 320.408 3.228 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001342060469 1179097577 /nfs/dbraw/zinc/09/75/77/1179097577.db2.gz NOBCJBJZKBBZIP-LSDHHAIUSA-N 0 3 320.408 3.228 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1ccc(C(F)F)cc1 ZINC001342167584 1179112566 /nfs/dbraw/zinc/11/25/66/1179112566.db2.gz UREYURBMXNRERP-CYBMUJFWSA-N 0 3 303.312 3.167 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(CC)(CO)CC1 ZINC001342287171 1179127701 /nfs/dbraw/zinc/12/77/01/1179127701.db2.gz JSZWYTPXIQZBBE-MRXNPFEDSA-N 0 3 312.498 3.075 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)c1ccccn1 ZINC001342456283 1179142601 /nfs/dbraw/zinc/14/26/01/1179142601.db2.gz UHCDTOHAAAOMSL-PKOBYXMFSA-N 0 3 323.440 3.165 20 30 DGEDHN N#CC(C(=O)CCc1ccco1)c1nccn1Cc1ccccc1 ZINC001342519374 1179149082 /nfs/dbraw/zinc/14/90/82/1179149082.db2.gz MXBPFXTXLJQWOJ-QGZVFWFLSA-N 0 3 319.364 3.333 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC=CCC1)c1nccn1Cc1ccccc1 ZINC001342603511 1179159292 /nfs/dbraw/zinc/15/92/92/1179159292.db2.gz KMZUMSAFNGHNOZ-SJORKVTESA-N 0 3 305.381 3.464 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)COC1CCC(C)CC1 ZINC001479273760 1179198553 /nfs/dbraw/zinc/19/85/53/1179198553.db2.gz HQVSKROXQKOCMZ-ADKAHSJRSA-N 0 3 322.493 3.081 20 30 DGEDHN N#CC(C(=O)C1CC2(CC2)C1)c1nccn1Cc1ccccc1 ZINC001342919367 1179209391 /nfs/dbraw/zinc/20/93/91/1179209391.db2.gz YZBMBRUPFSWMMO-INIZCTEOSA-N 0 3 305.381 3.298 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC001343275902 1179250977 /nfs/dbraw/zinc/25/09/77/1179250977.db2.gz DTRGHTUYVWTEGS-MRXNPFEDSA-N 0 3 310.401 3.074 20 30 DGEDHN CC(C)N1CCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001343402630 1179267504 /nfs/dbraw/zinc/26/75/04/1179267504.db2.gz AROZHXDIHYCYMH-GXTWGEPZSA-N 0 3 313.426 3.345 20 30 DGEDHN C=C[C@@H](CC)CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC001343507668 1179287492 /nfs/dbraw/zinc/28/74/92/1179287492.db2.gz AAESYLYFQQEEBX-UONOGXRCSA-N 0 3 314.385 3.335 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC001343957136 1179356212 /nfs/dbraw/zinc/35/62/12/1179356212.db2.gz IYSSHPDJTPJTCX-CQSZACIVSA-N 0 3 318.808 3.148 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCc1csc(C(F)(F)F)c1 ZINC001344374131 1179422339 /nfs/dbraw/zinc/42/23/39/1179422339.db2.gz LHOQAINIVUKVEF-JTQLQIEISA-N 0 3 306.353 3.067 20 30 DGEDHN Cc1nnc(-c2cccc(C(=O)C(C#N)c3cccc(F)n3)c2)o1 ZINC001344596375 1179456685 /nfs/dbraw/zinc/45/66/85/1179456685.db2.gz OHDCXKAUJHJJNC-CYBMUJFWSA-N 0 3 322.299 3.069 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC1(C)CC1 ZINC001345064934 1179519393 /nfs/dbraw/zinc/51/93/93/1179519393.db2.gz MJJGWYXWYLIDRH-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccc(C(N)=O)c1C ZINC001346068270 1179647173 /nfs/dbraw/zinc/64/71/73/1179647173.db2.gz KWRYIJHCGPMIKP-OAHLLOKOSA-N 0 3 319.449 3.110 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cnc2ccccc2c1 ZINC001346095321 1179652048 /nfs/dbraw/zinc/65/20/48/1179652048.db2.gz CENPDYKXNLKPNI-INIZCTEOSA-N 0 3 318.380 3.260 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccccc1OC ZINC001346097067 1179653214 /nfs/dbraw/zinc/65/32/14/1179653214.db2.gz WZTQEQBIECXNHV-UKRRQHHQSA-N 0 3 311.385 3.282 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC001346097173 1179653280 /nfs/dbraw/zinc/65/32/80/1179653280.db2.gz ZJFQBCCVFRQVFT-MDYRTPRTSA-N 0 3 319.408 3.373 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(CC)CC(C)C ZINC001346528216 1179716352 /nfs/dbraw/zinc/71/63/52/1179716352.db2.gz YESCTWJCAQSUFT-MRXNPFEDSA-N 0 3 319.497 3.146 20 30 DGEDHN CCC(CC)n1nccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001347123538 1179780020 /nfs/dbraw/zinc/78/00/20/1179780020.db2.gz MKLBBJARZWKBPS-GFCCVEGCSA-N 0 3 300.337 3.268 20 30 DGEDHN C[C@@H]1C(=O)CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1(C)C ZINC001347995437 1179825400 /nfs/dbraw/zinc/82/54/00/1179825400.db2.gz ZPBAQHJGAVRIFS-ADEWGFFLSA-N 0 3 320.339 3.177 20 30 DGEDHN CC[C@@H]1C[C@@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001347992221 1179825495 /nfs/dbraw/zinc/82/54/95/1179825495.db2.gz DEFHBTLGTMODMM-CYZMBNFOSA-N 0 3 308.328 3.131 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(C)cc2)CC1 ZINC001479996243 1179982469 /nfs/dbraw/zinc/98/24/69/1179982469.db2.gz BDZBGADORIKTCY-UHFFFAOYSA-N 0 3 300.446 3.498 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)n(C)c2C)CC1 ZINC001479996858 1179990429 /nfs/dbraw/zinc/99/04/29/1179990429.db2.gz WSJNYHPRGDPYBZ-UHFFFAOYSA-N 0 3 317.477 3.145 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCCC[C@H]1CC ZINC001351861776 1180257279 /nfs/dbraw/zinc/25/72/79/1180257279.db2.gz RFVVOWQWQDZYAE-HZPDHXFCSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1c(C)cc(C)cc1C ZINC001480323860 1180368417 /nfs/dbraw/zinc/36/84/17/1180368417.db2.gz LWOJLSQJQQSPTG-GOSISDBHSA-N 0 3 314.473 3.311 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCCCCCC)[C@H](O)C1 ZINC001100087055 1180369200 /nfs/dbraw/zinc/36/92/00/1180369200.db2.gz FJQRHXBIUXGJCI-QZTJIDSGSA-N 0 3 324.509 3.255 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001352872226 1180412716 /nfs/dbraw/zinc/41/27/16/1180412716.db2.gz POBYDLVFOGCRIG-UHFFFAOYSA-N 0 3 306.425 3.318 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2ccc(Cl)cc2F)C1 ZINC001100170635 1180418579 /nfs/dbraw/zinc/41/85/79/1180418579.db2.gz XZOMUVSHAINGOY-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN N#CCOc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC001353583645 1180597565 /nfs/dbraw/zinc/59/75/65/1180597565.db2.gz IATYWXSGBOUFCF-UHFFFAOYSA-N 0 3 307.397 3.237 20 30 DGEDHN C[C@H](CNC(=O)[C@@H]1CCC(C)(C)C1)NCc1ccc(C#N)s1 ZINC001480532181 1180613274 /nfs/dbraw/zinc/61/32/74/1180613274.db2.gz CJKBVIVEPFAUBQ-CHWSQXEVSA-N 0 3 319.474 3.040 20 30 DGEDHN CCC[C@H](CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001353929297 1180686204 /nfs/dbraw/zinc/68/62/04/1180686204.db2.gz DZWUUZCZLWGFQG-SFHVURJKSA-N 0 3 315.461 3.275 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1nc2ccccc2[nH]1 ZINC001354065088 1180714807 /nfs/dbraw/zinc/71/48/07/1180714807.db2.gz ZQQGFAAXDLASCO-KKOKHZNYSA-N 0 3 315.323 3.421 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001100726667 1180973883 /nfs/dbraw/zinc/97/38/83/1180973883.db2.gz FAFUETCSEZELSZ-JQRITLKVSA-N 0 3 312.885 3.440 20 30 DGEDHN CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC001356293201 1181170917 /nfs/dbraw/zinc/17/09/17/1181170917.db2.gz BWYCZAATUOKXKW-DLBZAZTESA-N 0 3 317.433 3.016 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)c1cccnc1 ZINC001356585360 1181219839 /nfs/dbraw/zinc/21/98/39/1181219839.db2.gz LLQBJNTVNLGVTM-ZWKOTPCHSA-N 0 3 309.413 3.061 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)c1cccnc1 ZINC001356585358 1181219851 /nfs/dbraw/zinc/21/98/51/1181219851.db2.gz LLQBJNTVNLGVTM-ROUUACIJSA-N 0 3 309.413 3.061 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1scnc1-c1ccccc1 ZINC001357233615 1181372462 /nfs/dbraw/zinc/37/24/62/1181372462.db2.gz JETTVLTUZZLPKU-ZDUSSCGKSA-N 0 3 301.415 3.432 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2ccccc2n1CC1CC1 ZINC001358149904 1181461550 /nfs/dbraw/zinc/46/15/50/1181461550.db2.gz UQQIHWBKAMKKKO-CQSZACIVSA-N 0 3 312.417 3.068 20 30 DGEDHN CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@H](N)CCCC#N ZINC001358168934 1181463897 /nfs/dbraw/zinc/46/38/97/1181463897.db2.gz BCICQLKQKDYEEQ-QGZVFWFLSA-N 0 3 319.449 3.355 20 30 DGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC(C)(C)C[C@@H]1C ZINC001473555123 1181543831 /nfs/dbraw/zinc/54/38/31/1181543831.db2.gz VNSDJLNAIUEJGZ-YJTLQXIOSA-N 0 3 319.493 3.426 20 30 DGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001360019526 1181615349 /nfs/dbraw/zinc/61/53/49/1181615349.db2.gz RIZJUQCIHCWULS-UHFFFAOYSA-N 0 3 306.425 3.318 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001480741798 1181691319 /nfs/dbraw/zinc/69/13/19/1181691319.db2.gz BEKNQNLZTSAPQS-JCYILVPMSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC001574851587 1181756152 /nfs/dbraw/zinc/75/61/52/1181756152.db2.gz HWWJUKGVXWZQGN-LBPRGKRZSA-N 0 3 301.217 3.161 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001454407768 1182341589 /nfs/dbraw/zinc/34/15/89/1182341589.db2.gz RMXDCBDPEFTLFW-WMZOPIPTSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001456990798 1182438409 /nfs/dbraw/zinc/43/84/09/1182438409.db2.gz ZEUCHZLDXFAHPG-HNNXBMFYSA-N 0 3 322.399 3.225 20 30 DGEDHN C[C@@H](NCCO[C@@H](C)C#N)c1ccc(F)cc1OC(F)F ZINC001459825713 1182621548 /nfs/dbraw/zinc/62/15/48/1182621548.db2.gz NQPJTYAUMMCSBF-VHSXEESVSA-N 0 3 302.296 3.006 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC001461513343 1182823155 /nfs/dbraw/zinc/82/31/55/1182823155.db2.gz KYVJKBCUWCRLOO-UHFFFAOYSA-N 0 3 307.422 3.420 20 30 DGEDHN C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC001462407921 1182949071 /nfs/dbraw/zinc/94/90/71/1182949071.db2.gz WGCLWNNWWSJCOT-HNAYVOBHSA-N 0 3 324.424 3.254 20 30 DGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)C#CC(C)(C)C ZINC001464508608 1183096943 /nfs/dbraw/zinc/09/69/43/1183096943.db2.gz VMNRWGLRSFJTOL-UHFFFAOYSA-N 0 3 314.473 3.059 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC001467768547 1183288432 /nfs/dbraw/zinc/28/84/32/1183288432.db2.gz YJGQYDKTLGVPQW-GOSISDBHSA-N 0 3 315.461 3.028 20 30 DGEDHN C=CC(C)(C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001468348863 1183327347 /nfs/dbraw/zinc/32/73/47/1183327347.db2.gz DEMBJTOZADQYPA-QGZVFWFLSA-N 0 3 317.477 3.499 20 30 DGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC001473178366 1183724082 /nfs/dbraw/zinc/72/40/82/1183724082.db2.gz COIRDHONKCQWMQ-HNNXBMFYSA-N 0 3 323.481 3.212 20 30 DGEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC001473178367 1183724321 /nfs/dbraw/zinc/72/43/21/1183724321.db2.gz COIRDHONKCQWMQ-OAHLLOKOSA-N 0 3 323.481 3.212 20 30 DGEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)c(F)c1 ZINC001473310122 1183742449 /nfs/dbraw/zinc/74/24/49/1183742449.db2.gz VJQGHDSKGPQPII-CZUORRHYSA-N 0 3 317.408 3.126 20 30 DGEDHN C#CCC1(N[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)CCC1 ZINC001473819780 1183807992 /nfs/dbraw/zinc/80/79/92/1183807992.db2.gz PXUCKLYMXYGOSG-MRXNPFEDSA-N 0 3 314.404 3.165 20 30 DGEDHN N#CCC1(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)CC1 ZINC001473833044 1183809229 /nfs/dbraw/zinc/80/92/29/1183809229.db2.gz RKLGPNCBILFAKV-UHFFFAOYSA-N 0 3 312.339 3.302 20 30 DGEDHN C#Cc1ccc(CNCc2c[nH]nc2-c2ccc(OC)cc2)cc1 ZINC001474152316 1183875182 /nfs/dbraw/zinc/87/51/82/1183875182.db2.gz GWNPGPOQGPGXNX-UHFFFAOYSA-N 0 3 317.392 3.356 20 30 DGEDHN COc1ccc(CNCc2ccc([Si](C)(C)C)cc2)cc1C#N ZINC001474166960 1183876375 /nfs/dbraw/zinc/87/63/75/1183876375.db2.gz UXEHXNJNKUSZCQ-UHFFFAOYSA-N 0 3 324.500 3.402 20 30 DGEDHN C#C[C@H](N[C@H]1CCCN(CC)C1)c1ccc(Br)cc1 ZINC001474545735 1183938458 /nfs/dbraw/zinc/93/84/58/1183938458.db2.gz IAXBVAHNNSXVOQ-HOTGVXAUSA-N 0 3 321.262 3.197 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C(F)F)CCCC1 ZINC001479241209 1184214577 /nfs/dbraw/zinc/21/45/77/1184214577.db2.gz PDFSGMZCBATKHE-AWEZNQCLSA-N 0 3 314.420 3.311 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001479254488 1184217975 /nfs/dbraw/zinc/21/79/75/1184217975.db2.gz NTPXFNFGPLFMLL-PKOBYXMFSA-N 0 3 324.509 3.306 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001479333976 1184235145 /nfs/dbraw/zinc/23/51/45/1184235145.db2.gz WLNYOFYNBBEMCC-OKILXGFUSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001479371463 1184240662 /nfs/dbraw/zinc/24/06/62/1184240662.db2.gz QMFZREYHFHZMJV-JHJVBQTASA-N 0 3 320.811 3.049 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001479390489 1184244527 /nfs/dbraw/zinc/24/45/27/1184244527.db2.gz SDQQUMHGUBOFPJ-XIXVDSTRSA-N 0 3 322.452 3.045 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001479420831 1184250984 /nfs/dbraw/zinc/25/09/84/1184250984.db2.gz KNVUHKHQFRWAOO-YTQUADARSA-N 0 3 312.457 3.030 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC001479722289 1184302522 /nfs/dbraw/zinc/30/25/22/1184302522.db2.gz PUYZNDJMRAATFN-KGLIPLIRSA-N 0 3 307.463 3.082 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H](C)CCC(C)(C)C)C1CC1 ZINC001479878616 1184362792 /nfs/dbraw/zinc/36/27/92/1184362792.db2.gz FGEGMFBLRFSCTK-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cccc3ccccc32)C1 ZINC001479952216 1184389161 /nfs/dbraw/zinc/38/91/61/1184389161.db2.gz HPBWYISTZJSSDT-LJQANCHMSA-N 0 3 320.436 3.190 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001479972021 1184401464 /nfs/dbraw/zinc/40/14/64/1184401464.db2.gz KQZIAWQVPXESHA-AWEZNQCLSA-N 0 3 321.490 3.112 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001479987109 1184403714 /nfs/dbraw/zinc/40/37/14/1184403714.db2.gz CHMFAXVQTWZKMN-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C2CC(OCC)C2)CC1 ZINC001479991840 1184405480 /nfs/dbraw/zinc/40/54/80/1184405480.db2.gz GCLHUZMQAXNROC-UHFFFAOYSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(F)F ZINC001480100039 1184434330 /nfs/dbraw/zinc/43/43/30/1184434330.db2.gz SXHAOVBKXRHKPY-BARDWOONSA-N 0 3 314.420 3.308 20 30 DGEDHN CCCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001480243033 1184468193 /nfs/dbraw/zinc/46/81/93/1184468193.db2.gz KDRJZHCXCCSVSK-SFHVURJKSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCN(CC#CC)C1)c1ccccc1 ZINC001480269949 1184476915 /nfs/dbraw/zinc/47/69/15/1184476915.db2.gz RPSGQPBTGARNRU-ICSRJNTNSA-N 0 3 324.468 3.198 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001480269077 1184477375 /nfs/dbraw/zinc/47/73/75/1184477375.db2.gz XDMXKDVPGPGSAN-MSOLQXFVSA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CSC(C)C ZINC001480370713 1184509246 /nfs/dbraw/zinc/50/92/46/1184509246.db2.gz VWJWAYPHFCRAMO-CVEARBPZSA-N 0 3 310.507 3.160 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001480519127 1184541308 /nfs/dbraw/zinc/54/13/08/1184541308.db2.gz VCLDCVWYQNKQBG-UONOGXRCSA-N 0 3 322.399 3.314 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)CCCCCc2cccs2)C1 ZINC001480621708 1184562411 /nfs/dbraw/zinc/56/24/11/1184562411.db2.gz KVLWAPXWWUMQFT-INIZCTEOSA-N 0 3 318.486 3.065 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC001480728131 1184589750 /nfs/dbraw/zinc/58/97/50/1184589750.db2.gz LFVRGHASUZNHCD-QGZVFWFLSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC001480728766 1184589883 /nfs/dbraw/zinc/58/98/83/1184589883.db2.gz USBUYNKUIBTBRD-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001480784140 1184607265 /nfs/dbraw/zinc/60/72/65/1184607265.db2.gz SKJTYUNBIZLTKM-LBPRGKRZSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2c(s1)CCC2 ZINC001480810412 1184614377 /nfs/dbraw/zinc/61/43/77/1184614377.db2.gz SCABCTPSEIAZJX-LLVKDONJSA-N 0 3 312.866 3.087 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccccc1 ZINC001480815240 1184617160 /nfs/dbraw/zinc/61/71/60/1184617160.db2.gz SKEJQEAAKUHGGF-INIZCTEOSA-N 0 3 306.837 3.414 20 30 DGEDHN C=CCCCC(=O)N(C)CCN[C@H]1CCc2c1cc(F)cc2F ZINC001493675104 1184725309 /nfs/dbraw/zinc/72/53/09/1184725309.db2.gz RJVFFCXOBBNIMZ-KRWDZBQOSA-N 0 3 322.399 3.356 20 30 DGEDHN C=Cc1ccc(C(=O)N(C)CCNCc2cccc(C#N)c2)cc1 ZINC001493704174 1184727225 /nfs/dbraw/zinc/72/72/25/1184727225.db2.gz DSOMXGPHZKCZHT-UHFFFAOYSA-N 0 3 319.408 3.063 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC001493895463 1184760678 /nfs/dbraw/zinc/76/06/78/1184760678.db2.gz FWYBOLAXARDFLO-GOSISDBHSA-N 0 3 322.408 3.241 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1CC ZINC001494683801 1184905384 /nfs/dbraw/zinc/90/53/84/1184905384.db2.gz MITPJRBLOQZIFP-GJZGRUSLSA-N 0 3 321.852 3.026 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)cc1 ZINC001494678441 1184906548 /nfs/dbraw/zinc/90/65/48/1184906548.db2.gz IZWZZUURVAOENN-HOTGVXAUSA-N 0 3 320.383 3.489 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001494853525 1184945349 /nfs/dbraw/zinc/94/53/49/1184945349.db2.gz FPDRDZVMDBTLLT-VQIMIIECSA-N 0 3 314.473 3.461 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001494873753 1184950733 /nfs/dbraw/zinc/95/07/33/1184950733.db2.gz CGGGJIPGEVZQBD-ZWKOTPCHSA-N 0 3 312.457 3.215 20 30 DGEDHN CCc1cccc(CN2CC[C@H](N(CC)C(=O)C#CC3CC3)C2)c1 ZINC001494897648 1184957732 /nfs/dbraw/zinc/95/77/32/1184957732.db2.gz QOPRLBLKYPEQEG-FQEVSTJZSA-N 0 3 324.468 3.085 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001494916519 1184962151 /nfs/dbraw/zinc/96/21/51/1184962151.db2.gz HWWDKNBPLHGGAU-RTBURBONSA-N 0 3 324.468 3.053 20 30 DGEDHN C=C[C@H](C(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001494926750 1184964236 /nfs/dbraw/zinc/96/42/36/1184964236.db2.gz YLAVJOXHSCCNDU-MOPGFXCFSA-N 0 3 312.457 3.455 20 30 DGEDHN CC[C@H](CNC(=O)CCC(C)C)NCc1ccc(C#N)c(F)c1 ZINC001494936764 1184967260 /nfs/dbraw/zinc/96/72/60/1184967260.db2.gz DHQGXLSGKHIEIT-MRXNPFEDSA-N 0 3 319.424 3.118 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](CC)NCC#Cc1ccccc1)CC ZINC001494969210 1184972297 /nfs/dbraw/zinc/97/22/97/1184972297.db2.gz NIUCQOQXFDQVKO-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001494971207 1184973386 /nfs/dbraw/zinc/97/33/86/1184973386.db2.gz RBRNOPMMUSFYGL-CRAIPNDOSA-N 0 3 318.436 3.098 20 30 DGEDHN CC[C@@H](C)CC(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001494971211 1184974008 /nfs/dbraw/zinc/97/40/08/1184974008.db2.gz RBRNOPMMUSFYGL-QAPCUYQASA-N 0 3 318.436 3.098 20 30 DGEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1ccc(C)cc1Cl ZINC001494988449 1184975854 /nfs/dbraw/zinc/97/58/54/1184975854.db2.gz ZMSVGCVVYMEDCP-MRXNPFEDSA-N 0 3 318.848 3.046 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1ccc(Cl)nc1 ZINC001494992717 1184977331 /nfs/dbraw/zinc/97/73/31/1184977331.db2.gz ZHFGWKOSYHPYSR-CQSZACIVSA-N 0 3 309.841 3.076 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2ccc(F)cn2)CCCC1 ZINC001495161498 1185005928 /nfs/dbraw/zinc/00/59/28/1185005928.db2.gz IRVQEDDVEQKBNT-UHFFFAOYSA-N 0 3 319.424 3.096 20 30 DGEDHN CC(C)(CCC#N)C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609083067 1193323930 /nfs/dbraw/zinc/32/39/30/1193323930.db2.gz UAINLYLVQNIYAV-INIZCTEOSA-N 0 3 324.432 3.164 20 30 DGEDHN CC(C)(CCC#N)C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609083067 1193323931 /nfs/dbraw/zinc/32/39/31/1193323931.db2.gz UAINLYLVQNIYAV-INIZCTEOSA-N 0 3 324.432 3.164 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@](C)(CNCc1ccccn1)C1CC1 ZINC001495253715 1185018195 /nfs/dbraw/zinc/01/81/95/1185018195.db2.gz QIMDTCWGTWVDES-IBGZPJMESA-N 0 3 315.461 3.058 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001495388569 1185042107 /nfs/dbraw/zinc/04/21/07/1185042107.db2.gz RQIZTKOFGCHLDF-CQSZACIVSA-N 0 3 316.848 3.097 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC001495490895 1185063274 /nfs/dbraw/zinc/06/32/74/1185063274.db2.gz WNLXJFHPPLVFIM-OALUTQOASA-N 0 3 324.468 3.264 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001495734839 1185096865 /nfs/dbraw/zinc/09/68/65/1185096865.db2.gz ROZJNAMJWBDJMM-DNVCBOLYSA-N 0 3 313.445 3.002 20 30 DGEDHN C=CCCC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001495899947 1185111258 /nfs/dbraw/zinc/11/12/58/1185111258.db2.gz UCVJYHFNLIHGQS-UHFFFAOYSA-N 0 3 310.441 3.023 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)nc1 ZINC001496072873 1185132108 /nfs/dbraw/zinc/13/21/08/1185132108.db2.gz XQIYEHXODOQLFZ-CYBMUJFWSA-N 0 3 309.841 3.028 20 30 DGEDHN C=C(Br)CNCC[C@@H]1CCCCN1C(=O)CCC ZINC001496378515 1185178203 /nfs/dbraw/zinc/17/82/03/1185178203.db2.gz ZKNJRMWMNQTQGF-ZDUSSCGKSA-N 0 3 317.271 3.056 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CCNCc1cnc(C)o1 ZINC001496412200 1185182834 /nfs/dbraw/zinc/18/28/34/1185182834.db2.gz BLOIPBVSGDIVBE-MRXNPFEDSA-N 0 3 319.449 3.200 20 30 DGEDHN C[C@@H]1CCCN(C(=O)CC2CC2)[C@H]1CNCC#Cc1ccccc1 ZINC001496472208 1185195391 /nfs/dbraw/zinc/19/53/91/1185195391.db2.gz ZGJUBWXKJOXAMD-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN CC(C)[C@H](CNC(=O)C#CC(C)(C)C)NCC=C(Cl)Cl ZINC001496560074 1185213730 /nfs/dbraw/zinc/21/37/30/1185213730.db2.gz ZBYMZSHDTDNMIZ-LBPRGKRZSA-N 0 3 319.276 3.085 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccnc1C1CC1)C(C)C ZINC001496573892 1185214913 /nfs/dbraw/zinc/21/49/13/1185214913.db2.gz FTPAIKUDQRGAPB-HNNXBMFYSA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C(C)(C)c1ccc(CC)cc1 ZINC001496819969 1185253377 /nfs/dbraw/zinc/25/33/77/1185253377.db2.gz OUOIBJINBWXRTM-UHFFFAOYSA-N 0 3 316.489 3.493 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C/Cl)C2)CCC1 ZINC001496859900 1185260875 /nfs/dbraw/zinc/26/08/75/1185260875.db2.gz AKYRTLHRKBCWHY-ZRCGRWLBSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001497256281 1185304428 /nfs/dbraw/zinc/30/44/28/1185304428.db2.gz PZDJHAQQMHYNHQ-ZDUSSCGKSA-N 0 3 311.857 3.228 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](CC)C1CCC(C)CC1 ZINC001497404980 1185327998 /nfs/dbraw/zinc/32/79/98/1185327998.db2.gz RJVJTUJOTJCRJD-DAWZGUTISA-N 0 3 306.494 3.300 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1ccc(OC)cc1 ZINC001497659845 1185371752 /nfs/dbraw/zinc/37/17/52/1185371752.db2.gz YURQLDJPDKXHFY-VOTSOKGWSA-N 0 3 316.445 3.060 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C/CNCc2ccc(F)cc2C)C1 ZINC001497673116 1185374543 /nfs/dbraw/zinc/37/45/43/1185374543.db2.gz LNPUHPBBDRHNBE-SNAWJCMRSA-N 0 3 316.420 3.252 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001497987741 1185419862 /nfs/dbraw/zinc/41/98/62/1185419862.db2.gz LTXCOEDMWUVNLA-OAHLLOKOSA-N 0 3 318.436 3.098 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)CCC1 ZINC001498362004 1185478566 /nfs/dbraw/zinc/47/85/66/1185478566.db2.gz JTANACBSLCQJIB-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001498985266 1185587095 /nfs/dbraw/zinc/58/70/95/1185587095.db2.gz FVFSJHZECKEWQX-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001499005781 1185591024 /nfs/dbraw/zinc/59/10/24/1185591024.db2.gz QIFDCGJYHZWASS-PKOBYXMFSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001499014863 1185592563 /nfs/dbraw/zinc/59/25/63/1185592563.db2.gz KVXLKCOTZKIKJX-RDJZCZTQSA-N 0 3 316.445 3.162 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001499045482 1185598655 /nfs/dbraw/zinc/59/86/55/1185598655.db2.gz WUCYGWMVIFYELA-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001499062182 1185601827 /nfs/dbraw/zinc/60/18/27/1185601827.db2.gz JBLDBKUURMTQIF-CQSZACIVSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001499082359 1185606763 /nfs/dbraw/zinc/60/67/63/1185606763.db2.gz TXMUEPMCVYLNLD-CYBMUJFWSA-N 0 3 322.836 3.119 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001499113419 1185614959 /nfs/dbraw/zinc/61/49/59/1185614959.db2.gz YHXNRYHYBSLVBO-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001499238498 1185628755 /nfs/dbraw/zinc/62/87/55/1185628755.db2.gz ZTTAHYSXDAGLRI-UHFFFAOYSA-N 0 3 306.837 3.435 20 30 DGEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001499481106 1185656609 /nfs/dbraw/zinc/65/66/09/1185656609.db2.gz MBFXSIWEFXMXQU-MSOLQXFVSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)CC/C=C\c3ccccc3)C2)C1 ZINC001499610644 1185677451 /nfs/dbraw/zinc/67/74/51/1185677451.db2.gz RAFWPOIBTSFXOS-RACPOZDESA-N 0 3 322.452 3.038 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001499616542 1185678474 /nfs/dbraw/zinc/67/84/74/1185678474.db2.gz QDYBDTAHMFHBFW-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C(=O)c1cccc(C)c1C)C1CCN(CC=C)CC1 ZINC001500058214 1185736691 /nfs/dbraw/zinc/73/66/91/1185736691.db2.gz VQGBOUUURXSVQF-UHFFFAOYSA-N 0 3 310.441 3.029 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001500265415 1185766651 /nfs/dbraw/zinc/76/66/51/1185766651.db2.gz RCNIYQPPWBIMBX-LPHOPBHVSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001500263248 1185767273 /nfs/dbraw/zinc/76/72/73/1185767273.db2.gz AQCLEVZHRBLKJI-KDOFPFPSSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001500518361 1185813303 /nfs/dbraw/zinc/81/33/03/1185813303.db2.gz ANNURBYGSYRZQZ-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001500540369 1185818820 /nfs/dbraw/zinc/81/88/20/1185818820.db2.gz YOUUAAZFULVQIN-WSTZPKSXSA-N 0 3 312.457 3.194 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(F)cc2C)C1 ZINC001500546464 1185819799 /nfs/dbraw/zinc/81/97/99/1185819799.db2.gz APGOJWWNDHYORG-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)nc1)c1ccccc1CC ZINC001501019871 1185857130 /nfs/dbraw/zinc/85/71/30/1185857130.db2.gz WILFAVSKXONZSO-LJQANCHMSA-N 0 3 323.440 3.199 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1CC ZINC001501020235 1185857711 /nfs/dbraw/zinc/85/77/11/1185857711.db2.gz ZAZYJCPOVHAVFL-QUCCMNQESA-N 0 3 324.468 3.376 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H](C)CC ZINC001501193836 1185881759 /nfs/dbraw/zinc/88/17/59/1185881759.db2.gz RUBBJAVKROCTJY-KRWDZBQOSA-N 0 3 300.446 3.064 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C(C)(C)C1CC1 ZINC001501665391 1185917564 /nfs/dbraw/zinc/91/75/64/1185917564.db2.gz BTZKGHMMJHHZOT-UHFFFAOYSA-N 0 3 300.446 3.357 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc[nH]c2CCC)cc1 ZINC001501679953 1185920822 /nfs/dbraw/zinc/92/08/22/1185920822.db2.gz WEQDYHPELMPXDR-HNNXBMFYSA-N 0 3 323.440 3.181 20 30 DGEDHN CC#CCNC1(CNC(=O)CC[C@H]2CCc3ccccc32)CCC1 ZINC001502028811 1185949751 /nfs/dbraw/zinc/94/97/51/1185949751.db2.gz AXJZYJBLVAMQBS-GOSISDBHSA-N 0 3 324.468 3.148 20 30 DGEDHN C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001502161689 1185965655 /nfs/dbraw/zinc/96/56/55/1185965655.db2.gz NWEIRUKQXFKEOI-HNNXBMFYSA-N 0 3 304.434 3.141 20 30 DGEDHN C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001502161689 1185965660 /nfs/dbraw/zinc/96/56/60/1185965660.db2.gz NWEIRUKQXFKEOI-HNNXBMFYSA-N 0 3 304.434 3.141 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)Cc3ccoc3)cc2C1 ZINC001502647962 1185999377 /nfs/dbraw/zinc/99/93/77/1185999377.db2.gz ADXJTQNELJCRSV-UHFFFAOYSA-N 0 3 324.424 3.420 20 30 DGEDHN CC#CCCCC(=O)NCc1ccc2c(c1)CN(CC(C)C)C2 ZINC001502651052 1185999835 /nfs/dbraw/zinc/99/98/35/1185999835.db2.gz VYPNVJIYXMWYRB-UHFFFAOYSA-N 0 3 312.457 3.468 20 30 DGEDHN CCCCCCC[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001502701099 1186001723 /nfs/dbraw/zinc/00/17/23/1186001723.db2.gz KNEUJQPOFDVEDV-WBVHZDCISA-N 0 3 318.461 3.413 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2sccc2Cl)[C@@H](C)C1 ZINC001502707140 1186002490 /nfs/dbraw/zinc/00/24/90/1186002490.db2.gz XJNQZFSXOXWSBN-AAEUAGOBSA-N 0 3 312.866 3.304 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC001502738113 1186005485 /nfs/dbraw/zinc/00/54/85/1186005485.db2.gz JBUMVNMPYBYCEM-GUYCJALGSA-N 0 3 322.399 3.258 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)C[C@H]1C ZINC001503024447 1186036531 /nfs/dbraw/zinc/03/65/31/1186036531.db2.gz YGWXYDFGBZYTKQ-AEFFLSMTSA-N 0 3 306.494 3.297 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001505529518 1186098213 /nfs/dbraw/zinc/09/82/13/1186098213.db2.gz JVHMHBTZQKWBGY-LMWSTFAQSA-N 0 3 310.825 3.010 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)c1F ZINC001505594936 1186109527 /nfs/dbraw/zinc/10/95/27/1186109527.db2.gz LFCHASGIDRGRTC-QWHCGFSZSA-N 0 3 324.827 3.265 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNCC(=C)Cl ZINC001505837507 1186146915 /nfs/dbraw/zinc/14/69/15/1186146915.db2.gz USZSPHXCJMPICJ-UHFFFAOYSA-N 0 3 300.874 3.415 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1ccc(CF)cc1 ZINC001505916865 1186163809 /nfs/dbraw/zinc/16/38/09/1186163809.db2.gz UFDFSRNHZFMIAX-OAHLLOKOSA-N 0 3 318.436 3.142 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2C2CC2)CCCCC1 ZINC001506522644 1186239925 /nfs/dbraw/zinc/23/99/25/1186239925.db2.gz VIVAIANTYBHSAZ-LSDHHAIUSA-N 0 3 310.869 3.194 20 30 DGEDHN Cc1cccc([C@H](C)N2CC([C@@H](C)NC(=O)C#CC(C)C)C2)c1 ZINC001506611438 1186261977 /nfs/dbraw/zinc/26/19/77/1186261977.db2.gz MQSZBOFJOGSXGR-SJORKVTESA-N 0 3 312.457 3.152 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C1CN(CC2=CCCCC2)C1 ZINC001506646195 1186267394 /nfs/dbraw/zinc/26/73/94/1186267394.db2.gz VZQIEOQTLMAAEZ-INIZCTEOSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)CCCCCC)C[C@]2(C)C1 ZINC001506870425 1186301499 /nfs/dbraw/zinc/30/14/99/1186301499.db2.gz NUTRWWLTVBODNQ-KDURUIRLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(F)cc1F ZINC001506947892 1186321172 /nfs/dbraw/zinc/32/11/72/1186321172.db2.gz FTLZQCYTQPZYAU-LLVKDONJSA-N 0 3 316.779 3.205 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCc1sc(C)nc1C ZINC001507108136 1186362041 /nfs/dbraw/zinc/36/20/41/1186362041.db2.gz TXTDFZYOYSKVMV-GFCCVEGCSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001507113476 1186363580 /nfs/dbraw/zinc/36/35/80/1186363580.db2.gz OGNMDZXIYIIYOE-UONOGXRCSA-N 0 3 323.868 3.274 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](CC(C)C)c1ccccc1 ZINC001507133606 1186368861 /nfs/dbraw/zinc/36/88/61/1186368861.db2.gz JSLQUTWWJNLPGS-IEBWSBKVSA-N 0 3 314.473 3.276 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@H]1C ZINC001507278220 1186379691 /nfs/dbraw/zinc/37/96/91/1186379691.db2.gz MEJRKJKJYXYEKJ-QAPCUYQASA-N 0 3 324.424 3.315 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccnc(Cl)c2)C[C@H]1C ZINC001507316796 1186388195 /nfs/dbraw/zinc/38/81/95/1186388195.db2.gz DQSJFBIEJNTNDE-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN CC(C)C#CC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@H]1C ZINC001507312867 1186388212 /nfs/dbraw/zinc/38/82/12/1186388212.db2.gz GMRVEGYKPCSSBU-GDBMZVCRSA-N 0 3 318.848 3.078 20 30 DGEDHN C=C(C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001507343622 1186397391 /nfs/dbraw/zinc/39/73/91/1186397391.db2.gz IEBFJIYTBUNWIK-IEBWSBKVSA-N 0 3 313.445 3.051 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](CC)CCCC)CCC[C@H]12 ZINC001507361264 1186402187 /nfs/dbraw/zinc/40/21/87/1186402187.db2.gz ZSSZWIPZGCYZKO-ZIFCJYIRSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cc(F)c(F)c(F)c1)C(C)C ZINC001507839109 1186449706 /nfs/dbraw/zinc/44/97/06/1186449706.db2.gz BRAVGAALNPQJFZ-UHFFFAOYSA-N 0 3 314.351 3.072 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCC[C@H]1CC)C(C)C ZINC001507850197 1186451107 /nfs/dbraw/zinc/45/11/07/1186451107.db2.gz ZHVJTRGNGNBUBT-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001507991493 1186465765 /nfs/dbraw/zinc/46/57/65/1186465765.db2.gz OIEKMIKGVYHPQT-INIZCTEOSA-N 0 3 317.477 3.304 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001508066344 1186475159 /nfs/dbraw/zinc/47/51/59/1186475159.db2.gz OJLBWUXMALAEGJ-WBVHZDCISA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CC23CCCC3)c(F)c1 ZINC001508243736 1186493073 /nfs/dbraw/zinc/49/30/73/1186493073.db2.gz YCXKOYXLEKRIPG-INIZCTEOSA-N 0 3 316.420 3.298 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC001611231591 1193427759 /nfs/dbraw/zinc/42/77/59/1193427759.db2.gz RMWQKVSJOSIANA-SJLPKXTDSA-N 0 3 316.445 3.301 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1c(C)cccc1C ZINC001517063974 1186800553 /nfs/dbraw/zinc/80/05/53/1186800553.db2.gz CWQFCHIPHPLNIH-HNNXBMFYSA-N 0 3 311.385 3.165 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@H]1CCCC1(F)F ZINC001517047440 1186800649 /nfs/dbraw/zinc/80/06/49/1186800649.db2.gz VHEYDMOXRIMJRV-BDAKNGLRSA-N 0 3 301.724 3.075 20 30 DGEDHN CCC[C@@H]1C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001520449885 1186945764 /nfs/dbraw/zinc/94/57/64/1186945764.db2.gz WTMDCXJNZFZQEZ-CYZMBNFOSA-N 0 3 308.328 3.131 20 30 DGEDHN C#CCN(C(=O)Cc1ccc(C2CCC2)cc1)C1CCN(C)CC1 ZINC001520640057 1186957781 /nfs/dbraw/zinc/95/77/81/1186957781.db2.gz PNPYHUHOVLTJMA-UHFFFAOYSA-N 0 3 324.468 3.053 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001526587410 1187376514 /nfs/dbraw/zinc/37/65/14/1187376514.db2.gz OXSGRIBOKZCEPF-IKGGRYGDSA-N 0 3 307.397 3.348 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001526587232 1187376786 /nfs/dbraw/zinc/37/67/86/1187376786.db2.gz MHTJUYWGPBUEKJ-JHJVBQTASA-N 0 3 317.751 3.193 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(C(F)F)cc1F ZINC001526587433 1187376849 /nfs/dbraw/zinc/37/68/49/1187376849.db2.gz PQJLXNGLSNHNOU-LLVKDONJSA-N 0 3 307.275 3.470 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCSc1ccccc1F ZINC001526594505 1187377303 /nfs/dbraw/zinc/37/73/03/1187377303.db2.gz PARSLCQQBNJPEP-LBPRGKRZSA-N 0 3 317.389 3.401 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(C)C)nc1C ZINC001556466825 1188438303 /nfs/dbraw/zinc/43/83/03/1188438303.db2.gz OBCMUQXUFNNLFS-UHFFFAOYSA-N 0 3 303.450 3.093 20 30 DGEDHN C#CCN(C(=O)C=C1CCC(C)(C)CC1)C1CCN(C)CC1 ZINC001617454245 1193570495 /nfs/dbraw/zinc/57/04/95/1193570495.db2.gz LMQLNJCUHRJQGN-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCOc1ccccc1Cl ZINC001556465974 1189002283 /nfs/dbraw/zinc/00/22/83/1189002283.db2.gz FFFMDAQQWKHMFT-UHFFFAOYSA-N 0 3 324.852 3.075 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)c2c1CCC2 ZINC001556467009 1189002702 /nfs/dbraw/zinc/00/27/02/1189002702.db2.gz WFAVMPZUBFCVDS-UHFFFAOYSA-N 0 3 300.446 3.064 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC001556466551 1189002867 /nfs/dbraw/zinc/00/28/67/1189002867.db2.gz DBALZZTVFYOHAN-VQHVLOKHSA-N 0 3 311.429 3.147 20 30 DGEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CCCC2CC2)CC1 ZINC001559743663 1189237030 /nfs/dbraw/zinc/23/70/30/1189237030.db2.gz RAGXMMWXRBEMDT-GOSISDBHSA-N 0 3 301.409 3.198 20 30 DGEDHN CC(C)C[C@@H]1CN(C)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC001560168541 1189286798 /nfs/dbraw/zinc/28/67/98/1189286798.db2.gz OIQXNONVKYLUOR-QGZVFWFLSA-N 0 3 305.853 3.374 20 30 DGEDHN C=C[C@H](CO)NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001560541507 1189338294 /nfs/dbraw/zinc/33/82/94/1189338294.db2.gz YJPYMPZPBPLROI-WMHRWZGDSA-N 0 3 309.409 3.415 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cccc2ccccc21 ZINC001564846675 1189600846 /nfs/dbraw/zinc/60/08/46/1189600846.db2.gz AMKWHYRWWLVSCD-MRXNPFEDSA-N 0 3 323.440 3.155 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc4cscc4s3)C2)C1 ZINC001565498503 1189651383 /nfs/dbraw/zinc/65/13/83/1189651383.db2.gz IZIMPBXASXFTNI-UHFFFAOYSA-N 0 3 318.467 3.297 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001565833813 1189683769 /nfs/dbraw/zinc/68/37/69/1189683769.db2.gz RFWYBCTXSRRUCN-AEFFLSMTSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001565835150 1189685757 /nfs/dbraw/zinc/68/57/57/1189685757.db2.gz IAZFMXDVYAZWSD-ZWKOTPCHSA-N 0 3 318.436 3.066 20 30 DGEDHN CC1(C(=O)NC[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CCCC1 ZINC001565848643 1189690181 /nfs/dbraw/zinc/69/01/81/1189690181.db2.gz ZOQLTDRGRQPVRM-KDURUIRLSA-N 0 3 324.468 3.103 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001565882590 1189698995 /nfs/dbraw/zinc/69/89/95/1189698995.db2.gz DURXGUOWOIOLGM-NZSAHSFTSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)CCCC)C2)CC1 ZINC001565921155 1189704288 /nfs/dbraw/zinc/70/42/88/1189704288.db2.gz ARMMQGVPYBWDFZ-IAGOWNOFSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCOCCCC)[C@@H]2CC)C1 ZINC001566021540 1189717315 /nfs/dbraw/zinc/71/73/15/1189717315.db2.gz HDELYDLDOZDGIX-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2cccs2)[C@H]1CC ZINC001566027796 1189719306 /nfs/dbraw/zinc/71/93/06/1189719306.db2.gz ZNNJTJDRPJMNFC-JKSUJKDBSA-N 0 3 306.475 3.226 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(C[C@@H](F)CC)C[C@H]2C1 ZINC001566045421 1189720473 /nfs/dbraw/zinc/72/04/73/1189720473.db2.gz XRBDRFORHSYIPZ-SQNIBIBYSA-N 0 3 322.468 3.283 20 30 DGEDHN CC(C)c1ccc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)cc1 ZINC001566088818 1189731503 /nfs/dbraw/zinc/73/15/03/1189731503.db2.gz RFXLWNBNOLQYKE-UZLBHIALSA-N 0 3 324.468 3.302 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2cccc(Cl)c2)[C@H]1C ZINC001566116992 1189737129 /nfs/dbraw/zinc/73/71/29/1189737129.db2.gz FHPCRXUMZWIQHX-VBQJREDUSA-N 0 3 320.864 3.284 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001566525546 1189790765 /nfs/dbraw/zinc/79/07/65/1189790765.db2.gz XCBMJHCTDUNKKU-ZBFHGGJFSA-N 0 3 306.837 3.412 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001566534021 1189794383 /nfs/dbraw/zinc/79/43/83/1189794383.db2.gz QPCFGVOJCRWXBZ-UKRRQHHQSA-N 0 3 310.869 3.288 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(F)c1 ZINC001566755752 1189892444 /nfs/dbraw/zinc/89/24/44/1189892444.db2.gz QPUJPNCGZZSRJZ-HDICACEKSA-N 0 3 316.420 3.389 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC=CCC1 ZINC001566756912 1189892479 /nfs/dbraw/zinc/89/24/79/1189892479.db2.gz ZJILSENBYIEWTJ-HDICACEKSA-N 0 3 302.462 3.374 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001566822286 1189913755 /nfs/dbraw/zinc/91/37/55/1189913755.db2.gz XXOCSXFTLLERBY-UMXODINHSA-N 0 3 310.869 3.453 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001566831071 1189916411 /nfs/dbraw/zinc/91/64/11/1189916411.db2.gz KWZRXRZCLHQHPU-OKILXGFUSA-N 0 3 310.800 3.182 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001566923415 1189953495 /nfs/dbraw/zinc/95/34/95/1189953495.db2.gz RTZVBJBMUXXGEK-XFHJGTJQSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001566924192 1189954710 /nfs/dbraw/zinc/95/47/10/1189954710.db2.gz JDJSPTWAVCGZRC-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001566930532 1189959415 /nfs/dbraw/zinc/95/94/15/1189959415.db2.gz ZFSJNGWFIIKMKV-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C2CCC2)C1 ZINC001566963478 1189973696 /nfs/dbraw/zinc/97/36/96/1189973696.db2.gz VFTFMZYTPZMAMF-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC001567011571 1189993697 /nfs/dbraw/zinc/99/36/97/1189993697.db2.gz JDCWVUOJMKZLLG-KGLIPLIRSA-N 0 3 306.837 3.299 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2ccc(C)nc2C)CC1 ZINC001567050971 1190009383 /nfs/dbraw/zinc/00/93/83/1190009383.db2.gz KYTUUJGVIQBMAM-OAHLLOKOSA-N 0 3 315.461 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1sccc1Cl ZINC001567216786 1190076569 /nfs/dbraw/zinc/07/65/69/1190076569.db2.gz YOKGTRMAFBENJF-SECBINFHSA-N 0 3 307.246 3.252 20 30 DGEDHN C=C(C)CCC(=O)NCCC[C@H]1CCCN1Cc1cncs1 ZINC001567253716 1190096895 /nfs/dbraw/zinc/09/68/95/1190096895.db2.gz CLSLTRGOGXWMHT-HNNXBMFYSA-N 0 3 321.490 3.360 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1Cc1cncs1 ZINC001567258740 1190099252 /nfs/dbraw/zinc/09/92/52/1190099252.db2.gz ZTZFPHYHLBKELB-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=C(C)CCC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001567284896 1190111733 /nfs/dbraw/zinc/11/17/33/1190111733.db2.gz ZNXNBUIHCXPTBV-KRWDZBQOSA-N 0 3 304.409 3.217 20 30 DGEDHN CCC(=CC(=O)NCCN(CC)Cc1ccc(C#N)cc1)CC ZINC001567329323 1190133601 /nfs/dbraw/zinc/13/36/01/1190133601.db2.gz BSPPLSLPTAJSKM-UHFFFAOYSA-N 0 3 313.445 3.243 20 30 DGEDHN C#CCCCC(=O)NCCN(CC)Cc1cc(C)sc1C ZINC001567330470 1190134260 /nfs/dbraw/zinc/13/42/60/1190134260.db2.gz NBDTWOMIILNDNW-UHFFFAOYSA-N 0 3 306.475 3.107 20 30 DGEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001567383189 1190164186 /nfs/dbraw/zinc/16/41/86/1190164186.db2.gz PIHYBEBPXQCICV-WBVHZDCISA-N 0 3 324.424 3.140 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001567415564 1190178903 /nfs/dbraw/zinc/17/89/03/1190178903.db2.gz OIUXUDQJKPIHOY-OALUTQOASA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN(CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC001567451167 1190200021 /nfs/dbraw/zinc/20/00/21/1190200021.db2.gz GHHLKUDRMFOELP-DLBZAZTESA-N 0 3 318.848 3.210 20 30 DGEDHN C=C1CCC(C(=O)N(C)CCNCc2cc(F)cc(F)c2)CC1 ZINC001567556046 1190217832 /nfs/dbraw/zinc/21/78/32/1190217832.db2.gz NGYPEBVKLSBRNY-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1nccc2occc21)c1ccccc1 ZINC001567661398 1190241082 /nfs/dbraw/zinc/24/10/82/1190241082.db2.gz YFDOQOWRICPHJR-INIZCTEOSA-N 0 3 321.380 3.075 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C)CC(F)(F)C1)c1ccccc1 ZINC001567664943 1190241699 /nfs/dbraw/zinc/24/16/99/1190241699.db2.gz YEVSLQVCAVWVOL-HNNXBMFYSA-N 0 3 322.399 3.445 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CC#Cc2ccccc2)C1 ZINC001567692706 1190256825 /nfs/dbraw/zinc/25/68/25/1190256825.db2.gz FDRQFRNZMLOWCA-FQEVSTJZSA-N 0 3 324.468 3.317 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001567735772 1190278473 /nfs/dbraw/zinc/27/84/73/1190278473.db2.gz PPKNOQBVBIJRGE-ZDUSSCGKSA-N 0 3 320.399 3.321 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001567763379 1190291005 /nfs/dbraw/zinc/29/10/05/1190291005.db2.gz XXMKKEMVCJISHI-CQSZACIVSA-N 0 3 314.420 3.215 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)SC ZINC001567854605 1190323820 /nfs/dbraw/zinc/32/38/20/1190323820.db2.gz INGHGSFFAIDPKF-JYJNAYRXSA-N 0 3 312.523 3.384 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCC2 ZINC001567866950 1190327137 /nfs/dbraw/zinc/32/71/37/1190327137.db2.gz VCVGOFILVXVAPH-SZMVWBNQSA-N 0 3 324.468 3.429 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001567920638 1190352605 /nfs/dbraw/zinc/35/26/05/1190352605.db2.gz ISNFFVCQJUVNRW-SJLPKXTDSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2cccc(Cl)c2)C1 ZINC001567940687 1190365638 /nfs/dbraw/zinc/36/56/38/1190365638.db2.gz KSPQRMKVPNOKCK-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001567945178 1190368785 /nfs/dbraw/zinc/36/87/85/1190368785.db2.gz JGZOUSYZNAJPEJ-ZWKOTPCHSA-N 0 3 312.457 3.045 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1scnc1C ZINC001567977588 1190384802 /nfs/dbraw/zinc/38/48/02/1190384802.db2.gz ACEGVWCVYJIKQO-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001568060686 1190411320 /nfs/dbraw/zinc/41/13/20/1190411320.db2.gz RNBCWHVTUYJRPN-CQSZACIVSA-N 0 3 310.869 3.147 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCCC23CC3)CCCC1 ZINC001568237604 1190458740 /nfs/dbraw/zinc/45/87/40/1190458740.db2.gz DTQYJUPVPZEPHO-CQSZACIVSA-N 0 3 310.869 3.338 20 30 DGEDHN Cc1ccccc1CN1CC2(C1)CCN(C(=O)C#CC(C)C)CC2 ZINC001568249865 1190462197 /nfs/dbraw/zinc/46/21/97/1190462197.db2.gz LNBBVSUBKRZDJP-UHFFFAOYSA-N 0 3 324.468 3.079 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC001568412973 1190514064 /nfs/dbraw/zinc/51/40/64/1190514064.db2.gz YSLVFCLSZUWZDN-CVEARBPZSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)[C@H](C)CCC)C(C)C ZINC001568446428 1190524999 /nfs/dbraw/zinc/52/49/99/1190524999.db2.gz VQZOHEXWHGVWRI-DGCLKSJQSA-N 0 3 319.287 3.062 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1csc(Cl)c1)C(C)C ZINC001568463827 1190529528 /nfs/dbraw/zinc/52/95/28/1190529528.db2.gz JQZFKGKFGKQRKN-NSHDSACASA-N 0 3 321.273 3.498 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(C)C(F)(F)F)C(C)C ZINC001568468857 1190531701 /nfs/dbraw/zinc/53/17/01/1190531701.db2.gz NRKXWLKADXVIGB-SNVBAGLBSA-N 0 3 314.779 3.058 20 30 DGEDHN C=CCCC(=O)N(C)CCN(C)[C@H](C)c1cccc(OC)c1 ZINC001568475693 1190536210 /nfs/dbraw/zinc/53/62/10/1190536210.db2.gz CUGVNZVTHNZLAS-OAHLLOKOSA-N 0 3 304.434 3.113 20 30 DGEDHN C#CCCCC(=O)N(C)CCN(C)Cc1ccccc1C1CC1 ZINC001568481262 1190539207 /nfs/dbraw/zinc/53/92/07/1190539207.db2.gz JLRBOBKYJOOXLH-UHFFFAOYSA-N 0 3 312.457 3.258 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(N(C)CCC)cc1 ZINC001568507141 1190554070 /nfs/dbraw/zinc/55/40/70/1190554070.db2.gz WPKQKPVXPOQQGB-UHFFFAOYSA-N 0 3 317.477 3.113 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H]3[C@@H](CCN3CCF)C2)CCCCC1 ZINC001568515023 1190556975 /nfs/dbraw/zinc/55/69/75/1190556975.db2.gz FXHQEORIBNHFDW-IRXDYDNUSA-N 0 3 322.468 3.405 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1occc1-c1ccccc1 ZINC001568758304 1190586103 /nfs/dbraw/zinc/58/61/03/1190586103.db2.gz XCNHFFNMXVEHBL-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1coc2cc(C)c(C)cc12 ZINC001568762617 1190586318 /nfs/dbraw/zinc/58/63/18/1190586318.db2.gz ZFHYBFSUTLWXEZ-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1cc(C)ccc1OC ZINC001569011179 1190607496 /nfs/dbraw/zinc/60/74/96/1190607496.db2.gz FLUNYUACHOXXLG-OAHLLOKOSA-N 0 3 318.461 3.200 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001569112096 1190626791 /nfs/dbraw/zinc/62/67/91/1190626791.db2.gz GMBPHQXUEKNMRO-OAHLLOKOSA-N 0 3 320.864 3.470 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1ccc(CC(C)C)cc1 ZINC001569126735 1190631930 /nfs/dbraw/zinc/63/19/30/1190631930.db2.gz LTMJWGROOQQJBJ-INIZCTEOSA-N 0 3 302.462 3.050 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(OC)c1 ZINC001569130905 1190633440 /nfs/dbraw/zinc/63/34/40/1190633440.db2.gz FRBGFKPKCADCQT-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1[C@@H](C)c1cc(C)ccc1C ZINC001569355172 1190673911 /nfs/dbraw/zinc/67/39/11/1190673911.db2.gz GIMDHYJZEQMUQM-ROUUACIJSA-N 0 3 312.457 3.358 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001569362611 1190675846 /nfs/dbraw/zinc/67/58/46/1190675846.db2.gz DRGWIJWPPJAQAD-KBPBESRZSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1C ZINC001569376008 1190683279 /nfs/dbraw/zinc/68/32/79/1190683279.db2.gz FDAHBHWLLCCBFV-IAGOWNOFSA-N 0 3 300.446 3.255 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001569380061 1190685478 /nfs/dbraw/zinc/68/54/78/1190685478.db2.gz NDJCKXVBRPEXMA-RYUDHWBXSA-N 0 3 312.866 3.272 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001569384930 1190687479 /nfs/dbraw/zinc/68/74/79/1190687479.db2.gz WFFNREBNGNWKGD-IBGZPJMESA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CC2CC(C)C2)CCCC1 ZINC001569387127 1190688536 /nfs/dbraw/zinc/68/85/36/1190688536.db2.gz CJTFZEJRNNPCTD-JCYILVPMSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001569415396 1190694079 /nfs/dbraw/zinc/69/40/79/1190694079.db2.gz FCXJPIVAJVUVTA-CQSZACIVSA-N 0 3 304.409 3.481 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001569481176 1190706439 /nfs/dbraw/zinc/70/64/39/1190706439.db2.gz PNFGHJLBJMQFBH-PKOBYXMFSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCCCC(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001569487976 1190707464 /nfs/dbraw/zinc/70/74/64/1190707464.db2.gz VIOKVTOXTQILKQ-UHFFFAOYSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCCc2ccsc2)CC1 ZINC001569573507 1190718844 /nfs/dbraw/zinc/71/88/44/1190718844.db2.gz VXCAMOBYQRKASW-UHFFFAOYSA-N 0 3 306.475 3.228 20 30 DGEDHN C#CCN(C(=O)C(C)C)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001569582680 1190719985 /nfs/dbraw/zinc/71/99/85/1190719985.db2.gz QRBMWJLKGCVSRM-FLIBITNWSA-N 0 3 324.468 3.282 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C1CCN(CC=C)CC1 ZINC001569589620 1190720282 /nfs/dbraw/zinc/72/02/82/1190720282.db2.gz TZOHXCGBRWBEHQ-GOSISDBHSA-N 0 3 314.473 3.235 20 30 DGEDHN CC(C)C#CC(=O)N[C@]1(C)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001569638229 1190729487 /nfs/dbraw/zinc/72/94/87/1190729487.db2.gz XBJNUXMWLJNHNA-OAQYLSRUSA-N 0 3 324.468 3.304 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001569650755 1190734378 /nfs/dbraw/zinc/73/43/78/1190734378.db2.gz HNMHSQWLXYXSLA-GXTWGEPZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2cc(F)ccc2F)C1 ZINC001569654589 1190735001 /nfs/dbraw/zinc/73/50/01/1190735001.db2.gz JJBAKSPCMSVBKD-SFHVURJKSA-N 0 3 322.399 3.054 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C=C)c2ccccc2)CC1 ZINC001569707057 1190744102 /nfs/dbraw/zinc/74/41/02/1190744102.db2.gz JYTAXPFVHJZPBM-GOSISDBHSA-N 0 3 324.468 3.198 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](CC)CC(F)F)C1 ZINC001569715742 1190747727 /nfs/dbraw/zinc/74/77/27/1190747727.db2.gz QFVOEELOPFZBOW-BBRMVZONSA-N 0 3 302.409 3.072 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001569716804 1190748229 /nfs/dbraw/zinc/74/82/29/1190748229.db2.gz WWVHVHZQWWOGFR-SFHVURJKSA-N 0 3 304.434 3.223 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001569725530 1190750227 /nfs/dbraw/zinc/75/02/27/1190750227.db2.gz AIHABKRZJGRIRH-NRFANRHFSA-N 0 3 324.468 3.031 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccnc1)c1ccccc1CC ZINC001569800566 1190755409 /nfs/dbraw/zinc/75/54/09/1190755409.db2.gz RYKFSRNCGWPQEN-IBGZPJMESA-N 0 3 323.440 3.281 20 30 DGEDHN C=CCCC(=O)N1C[C@H](C)[C@H](CNCc2c(F)cccc2F)C1 ZINC001569832813 1190761424 /nfs/dbraw/zinc/76/14/24/1190761424.db2.gz URSGNZNDZLOBII-UONOGXRCSA-N 0 3 322.399 3.115 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001569999617 1190780487 /nfs/dbraw/zinc/78/04/87/1190780487.db2.gz BWKNXAYLZZBPIV-HNNXBMFYSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001570007929 1190781009 /nfs/dbraw/zinc/78/10/09/1190781009.db2.gz ALSCPCVOUAAIKC-CWRNSKLLSA-N 0 3 310.869 3.003 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C=C(CC)CC)C1 ZINC001570220654 1190826410 /nfs/dbraw/zinc/82/64/10/1190826410.db2.gz VNELOSSFYJEFIC-OALUTQOASA-N 0 3 316.489 3.459 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)CC(C)C)C2 ZINC001570275222 1190835477 /nfs/dbraw/zinc/83/54/77/1190835477.db2.gz SCUMGSBFSLTAMQ-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)CC(C)C)C2 ZINC001570275569 1190835609 /nfs/dbraw/zinc/83/56/09/1190835609.db2.gz YIRUOAXUOKYQLS-MJGOQNOKSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2F)C1 ZINC001570341395 1190840489 /nfs/dbraw/zinc/84/04/89/1190840489.db2.gz AIXVWDHJUJOJHS-PBHICJAKSA-N 0 3 318.436 3.365 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cc(C)ccc2F)[C@@H](C)C1 ZINC001570341964 1190841506 /nfs/dbraw/zinc/84/15/06/1190841506.db2.gz KMUFKIMJQAFGRO-YJBOKZPZSA-N 0 3 318.436 3.427 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C)(C)CC ZINC001570519683 1190873905 /nfs/dbraw/zinc/87/39/05/1190873905.db2.gz XZKGCQGVGDVABB-IEBWSBKVSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001570530181 1190876323 /nfs/dbraw/zinc/87/63/23/1190876323.db2.gz FYUFEJKHPDZTQK-ARFHVFGLSA-N 0 3 318.486 3.269 20 30 DGEDHN C=CC1(CC(=O)N2CCC[C@H]2CN(C)CCOC)CCCCC1 ZINC001570542849 1190882750 /nfs/dbraw/zinc/88/27/50/1190882750.db2.gz YVESRBPGQUQXGR-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001570573082 1190889715 /nfs/dbraw/zinc/88/97/15/1190889715.db2.gz HMXCJQQZIADYGY-UQPPLGOBSA-N 0 3 320.864 3.335 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1c(C)nsc1C ZINC001570623536 1190903713 /nfs/dbraw/zinc/90/37/13/1190903713.db2.gz CDTVHKBOKXZGAS-RYUDHWBXSA-N 0 3 323.506 3.345 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl)C1 ZINC001570634294 1190906917 /nfs/dbraw/zinc/90/69/17/1190906917.db2.gz SIXICPRHCBYIDH-QWRGUYRKSA-N 0 3 305.249 3.145 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570642904 1190908526 /nfs/dbraw/zinc/90/85/26/1190908526.db2.gz YOLSHRXXDPSXTD-OLZOCXBDSA-N 0 3 321.490 3.429 20 30 DGEDHN CCC(CC)CC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001570642906 1190908915 /nfs/dbraw/zinc/90/89/15/1190908915.db2.gz YOLSHRXXDPSXTD-STQMWFEESA-N 0 3 321.490 3.429 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001570727964 1190932332 /nfs/dbraw/zinc/93/23/32/1190932332.db2.gz GTRJULLBRRESCM-IVOILVROSA-N 0 3 300.446 3.349 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(OC)c1 ZINC001570728663 1190933718 /nfs/dbraw/zinc/93/37/18/1190933718.db2.gz UBQOFGSPYDWPLG-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C(C)(F)F)CCCCC1 ZINC001570801217 1190951466 /nfs/dbraw/zinc/95/14/66/1190951466.db2.gz MJQWWPBGIZHXME-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001570822900 1190958616 /nfs/dbraw/zinc/95/86/16/1190958616.db2.gz NOFCPSQJRDLRSZ-SJLPKXTDSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001570822899 1190958626 /nfs/dbraw/zinc/95/86/26/1190958626.db2.gz NOFCPSQJRDLRSZ-FUHWJXTLSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1(COC)CCCCC1 ZINC001570822458 1190958878 /nfs/dbraw/zinc/95/88/78/1190958878.db2.gz DJWPAQWWXCNYFD-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2cccc3cccnc32)C1 ZINC001570832589 1190962324 /nfs/dbraw/zinc/96/23/24/1190962324.db2.gz LPENEUIWXWOZGD-OAHLLOKOSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CN(CCc3ccccc3)C2)C1 ZINC001570854416 1190966676 /nfs/dbraw/zinc/96/66/76/1190966676.db2.gz WKENKTQFOVYOBY-INIZCTEOSA-N 0 3 312.457 3.022 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001570860371 1190967451 /nfs/dbraw/zinc/96/74/51/1190967451.db2.gz SJGSJCIQLDZYBG-PBHICJAKSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001570863494 1190968217 /nfs/dbraw/zinc/96/82/17/1190968217.db2.gz GKZFQDVFHXNHBS-KBXCAEBGSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001570886169 1190969956 /nfs/dbraw/zinc/96/99/56/1190969956.db2.gz CLTXXENWCKAEPZ-LPHOPBHVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001571132497 1190983296 /nfs/dbraw/zinc/98/32/96/1190983296.db2.gz ROWHXTNGMPSOBU-VGWMRTNUSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001571198156 1190985500 /nfs/dbraw/zinc/98/55/00/1190985500.db2.gz YOFKFCYMQRCLGE-DZQYTSFXSA-N 0 3 324.896 3.440 20 30 DGEDHN CC(C)C(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001571388944 1191010811 /nfs/dbraw/zinc/01/08/11/1191010811.db2.gz BHVFCYMEDJONBX-ZDUSSCGKSA-N 0 3 321.490 3.238 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001571400304 1191014779 /nfs/dbraw/zinc/01/47/79/1191014779.db2.gz IQAXBZVPZALUJU-CNTYAEFGSA-N 0 3 317.458 3.079 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1coc2ccc(Cl)cc21 ZINC001571415464 1191020267 /nfs/dbraw/zinc/02/02/67/1191020267.db2.gz LRGYXFCCOPXSLN-LBPRGKRZSA-N 0 3 318.804 3.160 20 30 DGEDHN CC1(C)CN(C(=O)CCC2CC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001571554370 1191051122 /nfs/dbraw/zinc/05/11/22/1191051122.db2.gz HSGVQLTUULNOIM-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)CC(F)(F)F)C(C)C ZINC001571614133 1191062045 /nfs/dbraw/zinc/06/20/45/1191062045.db2.gz WLSSVLCABAXOMO-CYBMUJFWSA-N 0 3 308.388 3.320 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)ccc1F)C(C)C ZINC001571615310 1191063027 /nfs/dbraw/zinc/06/30/27/1191063027.db2.gz MTXKCSFYJSFBEQ-UHFFFAOYSA-N 0 3 306.425 3.493 20 30 DGEDHN C#CCCCCC(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001571669149 1191081174 /nfs/dbraw/zinc/08/11/74/1191081174.db2.gz PXWOSVRNPOOSSJ-KRWDZBQOSA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccco1)Cc1cccs1 ZINC001574851635 1191453747 /nfs/dbraw/zinc/45/37/47/1191453747.db2.gz IJGSHWYLKOZYTD-AWEZNQCLSA-N 0 3 324.833 3.340 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC001574856528 1191454745 /nfs/dbraw/zinc/45/47/45/1191454745.db2.gz BHMVPRNTCOKOFN-LLVKDONJSA-N 0 3 310.184 3.297 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)CSc1ccccc1 ZINC001574901441 1191457399 /nfs/dbraw/zinc/45/73/99/1191457399.db2.gz IAXRIRGWJGCZPI-GDBMZVCRSA-N 0 3 306.475 3.309 20 30 DGEDHN C=CCCCCCN(C)C(=O)Nc1ccnc([C@H]2CCCN2)n1 ZINC001574907426 1191457476 /nfs/dbraw/zinc/45/74/76/1191457476.db2.gz LTINUKRGCQJARZ-CQSZACIVSA-N 0 3 317.437 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001574902888 1191457544 /nfs/dbraw/zinc/45/75/44/1191457544.db2.gz ITQXMUULHZQMQR-PKOBYXMFSA-N 0 3 323.440 3.103 20 30 DGEDHN C[C@@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H]1CNCCO1 ZINC001576252173 1191550205 /nfs/dbraw/zinc/55/02/05/1191550205.db2.gz PTYZHVAOEOBJFL-KUHUBIRLSA-N 0 3 323.396 3.139 20 30 DGEDHN C=CC[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001620213728 1193765403 /nfs/dbraw/zinc/76/54/03/1193765403.db2.gz BMYKGVMQFXPKKV-MJGOQNOKSA-N 0 3 323.440 3.342 20 30 DGEDHN C=CC[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001620213729 1193765608 /nfs/dbraw/zinc/76/56/08/1193765608.db2.gz BMYKGVMQFXPKKV-PKOBYXMFSA-N 0 3 323.440 3.342 20 30 DGEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)ccc2OC)C1 ZINC001620214544 1193765762 /nfs/dbraw/zinc/76/57/62/1193765762.db2.gz KIZZLKQMCLQEQV-AWEZNQCLSA-N 0 3 303.402 3.270 20 30 DGEDHN C=CCN(CC(=O)N(C)CCCOc1ccccc1)C(C)(C)C ZINC001620428584 1193768461 /nfs/dbraw/zinc/76/84/61/1193768461.db2.gz PDAMULVRFNYLOX-UHFFFAOYSA-N 0 3 318.461 3.200 20 30 DGEDHN O[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC001620524161 1193775460 /nfs/dbraw/zinc/77/54/60/1193775460.db2.gz NBVHRJJHUPOVIU-FGTMMUONSA-N 0 3 303.833 3.317 20 30 DGEDHN C[C@H](NCCOc1ccccc1C#N)c1cc2cnccc2o1 ZINC001620528698 1193775797 /nfs/dbraw/zinc/77/57/97/1193775797.db2.gz QUFINPKAADWYJF-ZDUSSCGKSA-N 0 3 307.353 3.429 20 30 DGEDHN COC(=O)[C@H](CNCc1ccc(C#N)cc1F)C1CCCCC1 ZINC001621518681 1193852693 /nfs/dbraw/zinc/85/26/93/1193852693.db2.gz QYDSWOOGFGLVIO-MRXNPFEDSA-N 0 3 318.392 3.156 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC001622536342 1193904649 /nfs/dbraw/zinc/90/46/49/1193904649.db2.gz LVNLYVPHLLCWRE-OXQOHEQNSA-N 0 3 318.420 3.061 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)CC1CCCCC1)OCC ZINC001625690297 1194063920 /nfs/dbraw/zinc/06/39/20/1194063920.db2.gz MGEQPUAWDAQWDX-SFHVURJKSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C(C)(C)C)oc1C ZINC001626755377 1194093684 /nfs/dbraw/zinc/09/36/84/1194093684.db2.gz XSXXDULEARQABB-UHFFFAOYSA-N 0 3 306.450 3.465 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001627372243 1194125361 /nfs/dbraw/zinc/12/53/61/1194125361.db2.gz PFZSZXFMJMQFFJ-UHFFFAOYSA-N 0 3 306.425 3.318 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC001628822128 1194198556 /nfs/dbraw/zinc/19/85/56/1194198556.db2.gz DDYSKWAAYAQPPP-GOSISDBHSA-N 0 3 300.446 3.022 20 30 DGEDHN C#C[C@@H](NC(=O)[C@H]1CCCCN1CCC)c1ccc(Cl)cc1 ZINC001629256657 1194223548 /nfs/dbraw/zinc/22/35/48/1194223548.db2.gz NWZHPTWGFSFXDT-IAGOWNOFSA-N 0 3 318.848 3.395 20 30 DGEDHN C#CCN(C(=O)N[C@@H](C)C1CCCCCC1)C1CCN(C)CC1 ZINC001634133273 1194476060 /nfs/dbraw/zinc/47/60/60/1194476060.db2.gz CAKQZMIAEICCCV-INIZCTEOSA-N 0 3 319.493 3.084 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001634641106 1194506354 /nfs/dbraw/zinc/50/63/54/1194506354.db2.gz WCXPLRNFRZFFDV-DLBZAZTESA-N 0 3 320.864 3.410 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1ccc(F)cc1 ZINC001634645685 1194506914 /nfs/dbraw/zinc/50/69/14/1194506914.db2.gz COYUMUQDNQWBGP-UHFFFAOYSA-N 0 3 306.425 3.115 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCSc1ccc(F)cc1 ZINC001635753378 1194569455 /nfs/dbraw/zinc/56/94/55/1194569455.db2.gz UFWTWUVHBJEIAI-UHFFFAOYSA-N 0 3 324.465 3.274 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1OCC(C)C ZINC001635757676 1194570451 /nfs/dbraw/zinc/57/04/51/1194570451.db2.gz HXTRTRZIZCIJRE-UHFFFAOYSA-N 0 3 318.461 3.301 20 30 DGEDHN C=CCCC[C@@H](C(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC001640687043 1194825155 /nfs/dbraw/zinc/82/51/55/1194825155.db2.gz HCZKIBQLCYTOGN-QZTJIDSGSA-N 0 3 300.446 3.337 20 30 DGEDHN COCC#CCNC1(c2ccc(Br)cc2)CCCC1 ZINC001642227645 1194895122 /nfs/dbraw/zinc/89/51/22/1194895122.db2.gz SIHVPXZTJBBTSV-UHFFFAOYSA-N 0 3 322.246 3.458 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)c(F)c1 ZINC001642544456 1194918741 /nfs/dbraw/zinc/91/87/41/1194918741.db2.gz VJQGHDSKGPQPII-BBRMVZONSA-N 0 3 317.408 3.126 20 30 DGEDHN N#Cc1cc(F)ccc1N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001644196768 1195088321 /nfs/dbraw/zinc/08/83/21/1195088321.db2.gz HMBIJRIOSNZZSF-QAPCUYQASA-N 0 3 313.420 3.256 20 30 DGEDHN COc1ccccc1C[C@H]1CCCN1Cc1cc(C#N)ccn1 ZINC001644438136 1195108719 /nfs/dbraw/zinc/10/87/19/1195108719.db2.gz MCSNWGKXWFJPPC-GOSISDBHSA-N 0 3 307.397 3.169 20 30 DGEDHN C=CCOCCN1CCc2cc(OC)c(OC)cc2C12CCC2 ZINC001644533671 1195115338 /nfs/dbraw/zinc/11/53/38/1195115338.db2.gz XOEKPUOVQRSGBC-UHFFFAOYSA-N 0 3 317.429 3.144 20 30 DGEDHN C=CCO[C@@H]1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001645015844 1195150314 /nfs/dbraw/zinc/15/03/14/1195150314.db2.gz NWVVQCSJCHHLRL-HUUCEWRRSA-N 0 3 315.335 3.016 20 30 DGEDHN CC1(C)CN(C[C@H](O)c2cccc(C#N)c2)Cc2ccccc21 ZINC001645147605 1195162042 /nfs/dbraw/zinc/16/20/42/1195162042.db2.gz ITDHFEDNOMGGNC-IBGZPJMESA-N 0 3 306.409 3.385 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CN(CC)CC1(C)C ZINC001646586235 1195234780 /nfs/dbraw/zinc/23/47/80/1195234780.db2.gz IVHOFKYLLOQMFW-MRXNPFEDSA-N 0 3 318.486 3.425 20 30 DGEDHN C=C(Br)CN(CC(C)C)CC(C)(C)C(=O)OC ZINC001648166916 1195281635 /nfs/dbraw/zinc/28/16/35/1195281635.db2.gz CMBWKELCHGQTDY-UHFFFAOYSA-N 0 3 306.244 3.052 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc(F)ccc1C)c1ccccc1 ZINC001649442194 1195339021 /nfs/dbraw/zinc/33/90/21/1195339021.db2.gz FYMYVOZKZFJCLV-IBGZPJMESA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1nc(C)c(C)s1 ZINC001649445639 1195340719 /nfs/dbraw/zinc/34/07/19/1195340719.db2.gz XDOYNYUIOBSLMU-GFCCVEGCSA-N 0 3 323.506 3.347 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC001649443334 1195339905 /nfs/dbraw/zinc/33/99/05/1195339905.db2.gz KNVFXFUWAAOSBY-IYWMVGAKSA-N 0 3 324.468 3.283 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1nc(C)c(C)s1 ZINC001649445640 1195340740 /nfs/dbraw/zinc/34/07/40/1195340740.db2.gz XDOYNYUIOBSLMU-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN CC1(C)CCC(CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC001652035375 1195538950 /nfs/dbraw/zinc/53/89/50/1195538950.db2.gz CCWZJTBHHZOVCE-UHFFFAOYSA-N 0 3 312.461 3.292 20 30 DGEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccccc2Cl)CC1 ZINC001652100643 1195548053 /nfs/dbraw/zinc/54/80/53/1195548053.db2.gz NHAGFLQYEQZAHB-HNNXBMFYSA-N 0 3 305.853 3.397 20 30 DGEDHN C#CCOCCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001653764868 1195748833 /nfs/dbraw/zinc/74/88/33/1195748833.db2.gz PEIANBYPBFHRRE-CYBMUJFWSA-N 0 3 314.212 3.096 20 30 DGEDHN C=CCN(CCOc1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC001655045048 1195869693 /nfs/dbraw/zinc/86/96/93/1195869693.db2.gz OCMPGDBODPRFKY-LBPRGKRZSA-N 0 3 301.789 3.381 20 30 DGEDHN N#Cc1sccc1N1CCN(CC23CCC(CC2)C3)CC1 ZINC001655054413 1195871012 /nfs/dbraw/zinc/87/10/12/1195871012.db2.gz VOTUJHBIWBFJGP-UHFFFAOYSA-N 0 3 301.459 3.322 20 30 DGEDHN CCC(CC)CCCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC001655200372 1195890332 /nfs/dbraw/zinc/89/03/32/1195890332.db2.gz VXTUDLWLYMRQEV-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN O[C@@H](c1ccccc1)[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC001655275070 1195898546 /nfs/dbraw/zinc/89/85/46/1195898546.db2.gz JRGFBPPWUGBKPM-UXHICEINSA-N 0 3 309.384 3.375 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccnc(C#N)c1 ZINC001655279325 1195899521 /nfs/dbraw/zinc/89/95/21/1195899521.db2.gz WMOSQVDOFBGFBT-JKSUJKDBSA-N 0 3 306.413 3.052 20 30 DGEDHN C=CCOc1cccc(CNCc2ccc(NC(N)=O)cc2)c1 ZINC001656014215 1195987686 /nfs/dbraw/zinc/98/76/86/1195987686.db2.gz NCWMYQZUBQKKCA-UHFFFAOYSA-N 0 3 311.385 3.032 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CCCCCF)CC1 ZINC001656088069 1195998383 /nfs/dbraw/zinc/99/83/83/1195998383.db2.gz GCQXJEBOPOHJRR-KRWDZBQOSA-N 0 3 310.457 3.405 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)C1 ZINC001656093630 1195999489 /nfs/dbraw/zinc/99/94/89/1195999489.db2.gz RXGPYXQQQHSDBT-QGZVFWFLSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2ccc(C)cc2)C1 ZINC001656316715 1196029769 /nfs/dbraw/zinc/02/97/69/1196029769.db2.gz DXSJMUWBBLMLJA-DLBZAZTESA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Br)CN[C@H]1CCCc2c(cccc2OC)C1 ZINC001656390265 1196034515 /nfs/dbraw/zinc/03/45/15/1196034515.db2.gz UDSZAJGDRVEGLW-ZDUSSCGKSA-N 0 3 310.235 3.441 20 30 DGEDHN C[C@@H](CCC#N)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001656469383 1196042547 /nfs/dbraw/zinc/04/25/47/1196042547.db2.gz HXXIBPVUFMQSOE-CBCUQQMYSA-N 0 3 307.438 3.200 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(CC)CC ZINC001656650394 1196058304 /nfs/dbraw/zinc/05/83/04/1196058304.db2.gz DNRMGMXQEPHOOB-NZSAHSFTSA-N 0 3 318.505 3.441 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)CSC)C1 ZINC001656880412 1196078217 /nfs/dbraw/zinc/07/82/17/1196078217.db2.gz DPDNIOPHBLTSJS-GXTWGEPZSA-N 0 3 318.914 3.099 20 30 DGEDHN C=CCCC(=O)N1CCCCC[C@@H](NCc2cc(C)ns2)C1 ZINC001656880625 1196078549 /nfs/dbraw/zinc/07/85/49/1196078549.db2.gz HYKSQYBUKZTYBC-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001656916095 1196082931 /nfs/dbraw/zinc/08/29/31/1196082931.db2.gz IYHRMZJQMFEUJR-WBVHZDCISA-N 0 3 316.445 3.331 20 30 DGEDHN C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001656916095 1196082933 /nfs/dbraw/zinc/08/29/33/1196082933.db2.gz IYHRMZJQMFEUJR-WBVHZDCISA-N 0 3 316.445 3.331 20 30 DGEDHN C=CC[C@H](NCc1ccc(-n2cncn2)cc1)c1ccncc1 ZINC001657236808 1196122090 /nfs/dbraw/zinc/12/20/90/1196122090.db2.gz DKRFNXDUXUYPMS-SFHVURJKSA-N 0 3 305.385 3.069 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C#N)n1 ZINC001657401744 1196137257 /nfs/dbraw/zinc/13/72/57/1196137257.db2.gz ZXIPLRRTMUWNKB-DLBZAZTESA-N 0 3 320.440 3.048 20 30 DGEDHN C#CC[C@H](CO)NCc1cccc(OCCCc2ccccc2)c1 ZINC001657425680 1196139714 /nfs/dbraw/zinc/13/97/14/1196139714.db2.gz IIBGKAYNJOKPBE-HXUWFJFHSA-N 0 3 323.436 3.172 20 30 DGEDHN CCc1ccc([C@@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC001657992941 1196199874 /nfs/dbraw/zinc/19/98/74/1196199874.db2.gz CTAQEPBYIYYZBE-ZRGWGRIASA-N 0 3 315.461 3.343 20 30 DGEDHN CSc1ccc(CNCc2ccc3[nH]cnc3c2)cc1C#N ZINC001658596748 1196278030 /nfs/dbraw/zinc/27/80/30/1196278030.db2.gz MKPSSSHPXLLYCF-UHFFFAOYSA-N 0 3 308.410 3.446 20 30 DGEDHN CSc1ccc(CNCc2ccc3nc[nH]c3c2)cc1C#N ZINC001658596748 1196278031 /nfs/dbraw/zinc/27/80/31/1196278031.db2.gz MKPSSSHPXLLYCF-UHFFFAOYSA-N 0 3 308.410 3.446 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC001658883107 1196313865 /nfs/dbraw/zinc/31/38/65/1196313865.db2.gz DXRNZISJAFRDAA-RHSMWYFYSA-N 0 3 319.832 3.353 20 30 DGEDHN C[C@H]1CC(C)(C)CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001659025903 1196333781 /nfs/dbraw/zinc/33/37/81/1196333781.db2.gz YUNLQNZDXUWMMX-WMLDXEAASA-N 0 3 311.429 3.174 20 30 DGEDHN CCOC(=O)CCN(CC#Cc1cccc(Cl)c1)C(C)C ZINC001659200663 1196358951 /nfs/dbraw/zinc/35/89/51/1196358951.db2.gz FDXNXRLQLGGTBZ-UHFFFAOYSA-N 0 3 307.821 3.355 20 30 DGEDHN Cc1cc(CNC2(C(=O)NCC(C)C)CCCC2)ccc1C#N ZINC001659513632 1196390490 /nfs/dbraw/zinc/39/04/90/1196390490.db2.gz MWOBOXORMMMSMY-UHFFFAOYSA-N 0 3 313.445 3.041 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC001660117672 1196448496 /nfs/dbraw/zinc/44/84/96/1196448496.db2.gz BIVSGISNJAJCKR-UTKZUKDTSA-N 0 3 324.468 3.379 20 30 DGEDHN CC(C)(C)O[C@H]1C[C@H](NCC2(C#N)CCOCC2)C12CCC2 ZINC001660206107 1196457434 /nfs/dbraw/zinc/45/74/34/1196457434.db2.gz PIYPDANUIIUKIE-GJZGRUSLSA-N 0 3 306.450 3.023 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1coc2cc(C)c(C)cc12 ZINC001660240260 1196460828 /nfs/dbraw/zinc/46/08/28/1196460828.db2.gz WVCCUVHEHTVHGQ-UHFFFAOYSA-N 0 3 312.413 3.125 20 30 DGEDHN C#CCC1(N[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CCC1 ZINC001660283726 1196466247 /nfs/dbraw/zinc/46/62/47/1196466247.db2.gz IHBGVMJIQMMBSA-CVEARBPZSA-N 0 3 310.441 3.278 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001660819025 1196529548 /nfs/dbraw/zinc/52/95/48/1196529548.db2.gz YVGZTXYQYHVSST-ZWKOTPCHSA-N 0 3 312.457 3.296 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001660991343 1196551308 /nfs/dbraw/zinc/55/13/08/1196551308.db2.gz IKTBNYIPVULKEQ-LJQANCHMSA-N 0 3 312.457 3.222 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001661244879 1196587642 /nfs/dbraw/zinc/58/76/42/1196587642.db2.gz SVLOUYUQKKTIBI-ZACQAIPSSA-N 0 3 313.445 3.034 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CSC ZINC001661244653 1196587865 /nfs/dbraw/zinc/58/78/65/1196587865.db2.gz LOMHGYPCSXWDNM-FPCVCCKLSA-N 0 3 310.507 3.015 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001661459680 1196607900 /nfs/dbraw/zinc/60/79/00/1196607900.db2.gz IFLAEYKNSZXCBV-QAQDUYKDSA-N 0 3 316.420 3.146 20 30 DGEDHN C=CCCCCCN1CCCC[C@@H]1CNC(=O)C(C)(F)F ZINC001661846253 1196650257 /nfs/dbraw/zinc/65/02/57/1196650257.db2.gz JOQKFVPRYSKBPE-CQSZACIVSA-N 0 3 302.409 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001661871276 1196655828 /nfs/dbraw/zinc/65/58/28/1196655828.db2.gz NVXTUQZQHRWGQW-CYBMUJFWSA-N 0 3 318.383 3.266 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001662234784 1196697549 /nfs/dbraw/zinc/69/75/49/1196697549.db2.gz LPAOEVPGNIZURZ-NSHDSACASA-N 0 3 300.855 3.352 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001662545397 1196729557 /nfs/dbraw/zinc/72/95/57/1196729557.db2.gz GZKUNJIVPWPZKZ-ROUUACIJSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cccc(C2CC2)c1 ZINC001662954259 1196775554 /nfs/dbraw/zinc/77/55/54/1196775554.db2.gz LZNLHNPVTLSIQI-CQSZACIVSA-N 0 3 320.864 3.343 20 30 DGEDHN C#CC1(NCc2c[nH]c(C(=O)OCc3ccccc3)c2)CCCC1 ZINC001663139220 1196798078 /nfs/dbraw/zinc/79/80/78/1196798078.db2.gz SECSCYWKAZBWFP-UHFFFAOYSA-N 0 3 322.408 3.407 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@H](CC)c1ccc(F)cc1 ZINC001663172505 1196804582 /nfs/dbraw/zinc/80/45/82/1196804582.db2.gz ZRVRKCRFAYEGCU-QGZVFWFLSA-N 0 3 304.409 3.128 20 30 DGEDHN C#CCC[C@H](O)CNCc1ccc(-c2cccc(F)c2F)o1 ZINC001663181381 1196806018 /nfs/dbraw/zinc/80/60/18/1196806018.db2.gz QLQKEXDOUGNYJC-LBPRGKRZSA-N 0 3 305.324 3.089 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC001663218551 1196812893 /nfs/dbraw/zinc/81/28/93/1196812893.db2.gz LTNBHINGAWRTGQ-UHFFFAOYSA-N 0 3 305.809 3.059 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc(Cl)ccc1Cl ZINC001663320695 1196833990 /nfs/dbraw/zinc/83/39/90/1196833990.db2.gz CEKSOQXNNIPKOU-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cscc1C(F)(F)F ZINC001663460743 1196873791 /nfs/dbraw/zinc/87/37/91/1196873791.db2.gz BZRLINIHPWYOAN-UHFFFAOYSA-N 0 3 306.353 3.005 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001663581593 1196908548 /nfs/dbraw/zinc/90/85/48/1196908548.db2.gz DNXPUVFNDXHVSO-MRXNPFEDSA-N 0 3 318.848 3.082 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cccc(C(F)F)c1)C1CC1 ZINC001663740055 1196936989 /nfs/dbraw/zinc/93/69/89/1196936989.db2.gz VMQDSTOGJUGCMI-UHFFFAOYSA-N 0 3 322.399 3.323 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001663891651 1196955379 /nfs/dbraw/zinc/95/53/79/1196955379.db2.gz WQSZCGQYIZRGEV-CQSZACIVSA-N 0 3 322.399 3.267 20 30 DGEDHN C#CCCCCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001663891650 1196955925 /nfs/dbraw/zinc/95/59/25/1196955925.db2.gz WQSZCGQYIZRGEV-AWEZNQCLSA-N 0 3 322.399 3.267 20 30 DGEDHN CC(C)(C)OC(=O)NC1(CNCC#Cc2ccccc2)CCC1 ZINC001663994997 1196963345 /nfs/dbraw/zinc/96/33/45/1196963345.db2.gz WYKJHILEZBIGOY-UHFFFAOYSA-N 0 3 314.429 3.075 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC1=CCCCC1)c1ccccc1 ZINC001664574773 1197016146 /nfs/dbraw/zinc/01/61/46/1197016146.db2.gz UVUKBGAVEBAQGT-LJQANCHMSA-N 0 3 310.441 3.347 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)cc(C)c1)c1ccccc1 ZINC001664597926 1197019035 /nfs/dbraw/zinc/01/90/35/1197019035.db2.gz GPMGXPKAYSVBGT-FQEVSTJZSA-N 0 3 320.436 3.387 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cc(OC)cs2)C1 ZINC001664677699 1197032753 /nfs/dbraw/zinc/03/27/53/1197032753.db2.gz FONUUPSXZMCJPJ-CQSZACIVSA-N 0 3 322.474 3.259 20 30 DGEDHN C=CCOc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC001664682778 1197033866 /nfs/dbraw/zinc/03/38/66/1197033866.db2.gz ZHZJQZZCPYTWMY-UHFFFAOYSA-N 0 3 320.339 3.098 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)CCc1ccc(C(C)C)cc1 ZINC001673454122 1197085593 /nfs/dbraw/zinc/08/55/93/1197085593.db2.gz CWDXRIBLTPMPDK-UHFFFAOYSA-N 0 3 314.473 3.156 20 30 DGEDHN C=C(C)CN(C)Cc1ccc(C(=O)OC)c(Br)c1 ZINC001665281482 1197118416 /nfs/dbraw/zinc/11/84/16/1197118416.db2.gz LOANNKAKWBECCJ-UHFFFAOYSA-N 0 3 312.207 3.244 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CC/C=C\c2ccccc2)C1 ZINC001665293312 1197119782 /nfs/dbraw/zinc/11/97/82/1197119782.db2.gz KQEXWUUPTNUFND-POHAHGRESA-N 0 3 312.457 3.494 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccoc1 ZINC001665382504 1197130826 /nfs/dbraw/zinc/13/08/26/1197130826.db2.gz SNSCYQWHWDCMQQ-ROUUACIJSA-N 0 3 318.461 3.468 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1F ZINC001665425081 1197134996 /nfs/dbraw/zinc/13/49/96/1197134996.db2.gz HSOURORMIGJHPL-IHRRRGAJSA-N 0 3 320.383 3.218 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001665539859 1197149718 /nfs/dbraw/zinc/14/97/18/1197149718.db2.gz LZOCEDQYZFCVGA-CQSZACIVSA-N 0 3 309.479 3.226 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001665636966 1197162222 /nfs/dbraw/zinc/16/22/22/1197162222.db2.gz MTAUZRFVTKYGJO-QGZVFWFLSA-N 0 3 318.436 3.212 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](CC)c2ccccc2)C1 ZINC001665675773 1197169119 /nfs/dbraw/zinc/16/91/19/1197169119.db2.gz DEDGORMYSHDLKK-PKOBYXMFSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001665686852 1197171670 /nfs/dbraw/zinc/17/16/70/1197171670.db2.gz RQMGMUPZKJQTME-IEBWSBKVSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696688 1197174067 /nfs/dbraw/zinc/17/40/67/1197174067.db2.gz CFFPFNOGMVKOHR-HZPDHXFCSA-N 0 3 316.445 3.283 20 30 DGEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001665696688 1197174069 /nfs/dbraw/zinc/17/40/69/1197174069.db2.gz CFFPFNOGMVKOHR-HZPDHXFCSA-N 0 3 316.445 3.283 20 30 DGEDHN CCCCCCCS(=O)(=O)N1CCC(C)(C)NC(C)(C)C1 ZINC001666190396 1197242180 /nfs/dbraw/zinc/24/21/80/1197242180.db2.gz PGTQVRIZLKWLPB-UHFFFAOYSA-N 0 3 318.527 3.139 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001666298659 1197249565 /nfs/dbraw/zinc/24/95/65/1197249565.db2.gz OQSNYUGZFWYKSS-SHTZXODSSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2(C)CCCCCC2)cc1 ZINC001666333515 1197253227 /nfs/dbraw/zinc/25/32/27/1197253227.db2.gz VWALGXDKEGJOKN-UHFFFAOYSA-N 0 3 312.457 3.386 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC001666344015 1197253740 /nfs/dbraw/zinc/25/37/40/1197253740.db2.gz ASTHKONNFMOVCA-PMOLBWCYSA-N 0 3 324.468 3.242 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001666967621 1197302963 /nfs/dbraw/zinc/30/29/63/1197302963.db2.gz RZWYOKNPXSSACY-CYBMUJFWSA-N 0 3 319.474 3.159 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001666967911 1197302768 /nfs/dbraw/zinc/30/27/68/1197302768.db2.gz XUQJQRGKQSUHGX-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN C=CCC1(C(=O)N[C@H](CNCCF)C2CCCCC2)CCC1 ZINC001667144762 1197323987 /nfs/dbraw/zinc/32/39/87/1197323987.db2.gz SFYREBHQHUTTQX-MRXNPFEDSA-N 0 3 310.457 3.357 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@@H](C)C1 ZINC001667197065 1197328892 /nfs/dbraw/zinc/32/88/92/1197328892.db2.gz GOPVVUVYWTXLMZ-GANVNIMBSA-N 0 3 319.276 3.488 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001667570177 1197363391 /nfs/dbraw/zinc/36/33/91/1197363391.db2.gz HTNYQWKFTGRGCE-UHFFFAOYSA-N 0 3 302.462 3.488 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](CC)Oc1cccc(C)c1 ZINC001667638355 1197373475 /nfs/dbraw/zinc/37/34/75/1197373475.db2.gz KYIOWZUBAZZDNM-SFHVURJKSA-N 0 3 318.461 3.119 20 30 DGEDHN CCCC1(C(=O)N(CC)CCNCc2cccc(C#N)c2)CC1 ZINC001668546276 1197419142 /nfs/dbraw/zinc/41/91/42/1197419142.db2.gz PKPPOVJULVPALX-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001668586589 1197420835 /nfs/dbraw/zinc/42/08/35/1197420835.db2.gz KUQONLBJDITYAN-IRXDYDNUSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001668586590 1197420855 /nfs/dbraw/zinc/42/08/55/1197420855.db2.gz KUQONLBJDITYAN-SJORKVTESA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001669069867 1197439805 /nfs/dbraw/zinc/43/98/05/1197439805.db2.gz LAVWUIVOALJWNR-LPADLIQXSA-N 0 3 304.478 3.268 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001669302624 1197448149 /nfs/dbraw/zinc/44/81/49/1197448149.db2.gz RXMBETCSNUNHIG-CQSZACIVSA-N 0 3 306.425 3.331 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001669857150 1197492164 /nfs/dbraw/zinc/49/21/64/1197492164.db2.gz QSQSGYIWVFCBCL-NSHDSACASA-N 0 3 305.809 3.057 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001669878063 1197497042 /nfs/dbraw/zinc/49/70/42/1197497042.db2.gz WPMACOSJYPZAHT-KXBFYZLASA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001669888238 1197498193 /nfs/dbraw/zinc/49/81/93/1197498193.db2.gz NUSOXCFXJSQDJQ-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cscc1C(F)(F)F ZINC001669937311 1197508739 /nfs/dbraw/zinc/50/87/39/1197508739.db2.gz YCVHZXZITKCKOG-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001671342848 1197535700 /nfs/dbraw/zinc/53/57/00/1197535700.db2.gz WFTBNJUJIFVHEN-AWEZNQCLSA-N 0 3 317.458 3.057 20 30 DGEDHN C#CCN(C(=O)[C@H](CC)CCCC)C1CCN(CC=C)CC1 ZINC001671455948 1197541382 /nfs/dbraw/zinc/54/13/82/1197541382.db2.gz DKOMBTNGDADFMM-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C#CCN(C(=O)CCC1CCC1)C1CCN(CC=C(C)C)CC1 ZINC001671469877 1197542019 /nfs/dbraw/zinc/54/20/19/1197542019.db2.gz RKLZMCUVLYFQPG-UHFFFAOYSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001671666761 1197558889 /nfs/dbraw/zinc/55/88/89/1197558889.db2.gz JSXZQCAXNNKFTH-KRWDZBQOSA-N 0 3 306.475 3.493 20 30 DGEDHN CCCCCCCN1CC[C@](C)(NC(=O)c2nccs2)C1 ZINC001671677572 1197560999 /nfs/dbraw/zinc/56/09/99/1197560999.db2.gz AZGQOFDDXIHEHW-INIZCTEOSA-N 0 3 309.479 3.308 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001671679268 1197561335 /nfs/dbraw/zinc/56/13/35/1197561335.db2.gz UMWMBCMLEUEWDZ-KBXCAEBGSA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C(C)(C)CCCCC)CC1 ZINC001671867598 1197577245 /nfs/dbraw/zinc/57/72/45/1197577245.db2.gz FTWKZWNBHDIBOI-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccccc2Cl)C1 ZINC001671912226 1197585154 /nfs/dbraw/zinc/58/51/54/1197585154.db2.gz JSLRCQZYKCKLLH-QGZVFWFLSA-N 0 3 306.837 3.358 20 30 DGEDHN CN1CCC[C@@H]1CNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001672208180 1197597253 /nfs/dbraw/zinc/59/72/53/1197597253.db2.gz YOWXWJOKQHDJGQ-LLVKDONJSA-N 0 3 320.462 3.133 20 30 DGEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001672472893 1197612736 /nfs/dbraw/zinc/61/27/36/1197612736.db2.gz CIKIBEIBBCUVBC-WBVHZDCISA-N 0 3 305.466 3.144 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001672737016 1197621372 /nfs/dbraw/zinc/62/13/72/1197621372.db2.gz AYZOPEAVFMCPQP-AWEZNQCLSA-N 0 3 310.825 3.091 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1CC(C)(C)C1 ZINC001672924820 1197628410 /nfs/dbraw/zinc/62/84/10/1197628410.db2.gz FJLDDRBIMXIMOP-UHFFFAOYSA-N 0 3 312.457 3.194 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cccnc1 ZINC001672920648 1197628414 /nfs/dbraw/zinc/62/84/14/1197628414.db2.gz GSLISYJYGMAYOF-UHFFFAOYSA-N 0 3 309.413 3.020 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)C(C)(C)C)cc1 ZINC001672937137 1197629561 /nfs/dbraw/zinc/62/95/61/1197629561.db2.gz HTNKZOLIKSJPQM-GJZGRUSLSA-N 0 3 300.446 3.269 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)Cc1ccco1 ZINC001672934070 1197629615 /nfs/dbraw/zinc/62/96/15/1197629615.db2.gz SNOXVYFCISNYNG-UHFFFAOYSA-N 0 3 312.413 3.146 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2(C(F)F)CC2)cc1 ZINC001672936682 1197629759 /nfs/dbraw/zinc/62/97/59/1197629759.db2.gz CHQSLDBANAODKP-CYBMUJFWSA-N 0 3 320.383 3.022 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001673013782 1197634678 /nfs/dbraw/zinc/63/46/78/1197634678.db2.gz XRTHXDUGFATLDC-HOTGVXAUSA-N 0 3 310.457 3.261 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccccc2CC(C)C)CCC1 ZINC001673242245 1197647106 /nfs/dbraw/zinc/64/71/06/1197647106.db2.gz UYFLWCWTTQPMGZ-UHFFFAOYSA-N 0 3 312.457 3.151 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)CCCc2ccccc2)CC1 ZINC001673391737 1197655377 /nfs/dbraw/zinc/65/53/77/1197655377.db2.gz SNUHDAKRUGQEQQ-IBGZPJMESA-N 0 3 312.457 3.003 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@](C)(F)CCCC)C2 ZINC001673645611 1197683652 /nfs/dbraw/zinc/68/36/52/1197683652.db2.gz MAPQHEKFGIHQCF-OALUTQOASA-N 0 3 322.468 3.243 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)CCC)C2 ZINC001673639449 1197683986 /nfs/dbraw/zinc/68/39/86/1197683986.db2.gz JENOJSWLMUJWNY-MJGOQNOKSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C/C=C\c1ccc(F)cc1 ZINC001674203963 1197746074 /nfs/dbraw/zinc/74/60/74/1197746074.db2.gz GDWHIDHUJADHAU-NQHOJNORSA-N 0 3 324.827 3.466 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2ccncc21 ZINC001674245604 1197750757 /nfs/dbraw/zinc/75/07/57/1197750757.db2.gz RNFYZFXTPCIADE-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)C(C)C ZINC001674267740 1197755059 /nfs/dbraw/zinc/75/50/59/1197755059.db2.gz WMQCLFDEHASRAU-GOSISDBHSA-N 0 3 300.446 3.324 20 30 DGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)CC1CC1 ZINC001674267577 1197755209 /nfs/dbraw/zinc/75/52/09/1197755209.db2.gz UNZBWRWUTZYGAS-LJQANCHMSA-N 0 3 312.457 3.468 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1coc2c1cccc2C ZINC001674462878 1197779828 /nfs/dbraw/zinc/77/98/28/1197779828.db2.gz ANWNKXGLJYBKGQ-HNNXBMFYSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)CCOC1CCC1 ZINC001674480976 1197783245 /nfs/dbraw/zinc/78/32/45/1197783245.db2.gz NODSBXYCNGZMNE-APWZRJJASA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(C)s1 ZINC001674500015 1197789145 /nfs/dbraw/zinc/78/91/45/1197789145.db2.gz UMRCVVOIDCEDGA-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN CCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001674633319 1197811697 /nfs/dbraw/zinc/81/16/97/1197811697.db2.gz KENBGFDJSXFQEC-GJZGRUSLSA-N 0 3 320.864 3.365 20 30 DGEDHN CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674723188 1197849052 /nfs/dbraw/zinc/84/90/52/1197849052.db2.gz WJNNJMLGFAOPTE-STQMWFEESA-N 0 3 319.424 3.116 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001674979495 1197945162 /nfs/dbraw/zinc/94/51/62/1197945162.db2.gz FLKFYPXMLDTSNF-HNNXBMFYSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2ccns2)CCCCC1 ZINC001675185449 1198002396 /nfs/dbraw/zinc/00/23/96/1198002396.db2.gz WJRTYLQMRKJJAY-UHFFFAOYSA-N 0 3 321.490 3.408 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001675257798 1198023097 /nfs/dbraw/zinc/02/30/97/1198023097.db2.gz HNUBWRSGLBPBSB-QZTJIDSGSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001675263369 1198028698 /nfs/dbraw/zinc/02/86/98/1198028698.db2.gz QGUNSNQAORLDPU-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001675269957 1198029094 /nfs/dbraw/zinc/02/90/94/1198029094.db2.gz NALDXFGMPOGNJT-OALUTQOASA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001675318405 1198042276 /nfs/dbraw/zinc/04/22/76/1198042276.db2.gz ZYGVSVHQSBEDPR-INIZCTEOSA-N 0 3 312.457 3.022 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001675348770 1198049208 /nfs/dbraw/zinc/04/92/08/1198049208.db2.gz HIQDPUORIOXERO-AEFFLSMTSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001675419012 1198061065 /nfs/dbraw/zinc/06/10/65/1198061065.db2.gz XYMIOECHTZHBDF-NGHUAEFPSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCCc2ccccc2)C(C)(C)C1 ZINC001675468619 1198074007 /nfs/dbraw/zinc/07/40/07/1198074007.db2.gz YCHVNZRHPXDUBY-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)CC)C[C@H]2C1 ZINC001675643897 1198101432 /nfs/dbraw/zinc/10/14/32/1198101432.db2.gz WZYIBBAPMAPNKF-SOUVJXGZSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001675766576 1198135565 /nfs/dbraw/zinc/13/55/65/1198135565.db2.gz ADTHWBZUBOGXSE-KOMQPUFPSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001676022782 1198196039 /nfs/dbraw/zinc/19/60/39/1198196039.db2.gz ILSRWUAVWKWVNU-LMPOIIKSSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(F)s1 ZINC001676029657 1198199594 /nfs/dbraw/zinc/19/95/94/1198199594.db2.gz LCGJBJQLDDUSFQ-JTQLQIEISA-N 0 3 304.818 3.128 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001676052729 1198207947 /nfs/dbraw/zinc/20/79/47/1198207947.db2.gz XJDPTBLCRKBJEY-IZZDOVSWSA-N 0 3 310.869 3.430 20 30 DGEDHN CN(C(=O)C1CCCC1)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001676187472 1198245022 /nfs/dbraw/zinc/24/50/22/1198245022.db2.gz KHLUKQUGWPKTDQ-FQEVSTJZSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@H](CN(C)C(=O)C=C1CCCCC1)NCC#Cc1ccccc1 ZINC001676311301 1198284554 /nfs/dbraw/zinc/28/45/54/1198284554.db2.gz MHJDYEIUFDSHAT-GOSISDBHSA-N 0 3 324.468 3.365 20 30 DGEDHN C[C@H](CN(C)C(=O)C[C@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001676402300 1198313512 /nfs/dbraw/zinc/31/35/12/1198313512.db2.gz VJCPEXCJCSCLPU-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2cc(C)ccc2F)C1 ZINC001676418658 1198318309 /nfs/dbraw/zinc/31/83/09/1198318309.db2.gz UACKSIQPPZTAAS-HNNXBMFYSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001676651253 1198358208 /nfs/dbraw/zinc/35/82/08/1198358208.db2.gz VRCOGHCKDGTTSO-VXGBXAGGSA-N 0 3 319.276 3.487 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)CCC(C)(C)C)CCC[C@H]12 ZINC001676820057 1198399462 /nfs/dbraw/zinc/39/94/62/1198399462.db2.gz GNYLVSHDNKUBRO-TXPKVOOTSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001676860359 1198415434 /nfs/dbraw/zinc/41/54/34/1198415434.db2.gz SUYXIRIVVNZVGC-SJLPKXTDSA-N 0 3 320.477 3.049 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H]1C ZINC001676895138 1198426603 /nfs/dbraw/zinc/42/66/03/1198426603.db2.gz WDVVGGWZGAYBCK-STQMWFEESA-N 0 3 302.409 3.213 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](NC/C=C\Cl)C(C)(C)C2)CCC1 ZINC001677024183 1198466326 /nfs/dbraw/zinc/46/63/26/1198466326.db2.gz WVKAMXKHQYKSCP-LBIZBFCRSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(OC)cs1)C(C)C ZINC001677208374 1198486984 /nfs/dbraw/zinc/48/69/84/1198486984.db2.gz CIRQNBKXQORXTC-UHFFFAOYSA-N 0 3 310.463 3.115 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C(C)C ZINC001677215104 1198490843 /nfs/dbraw/zinc/49/08/43/1198490843.db2.gz AXCIUXXEOBTWMA-IRXDYDNUSA-N 0 3 308.510 3.497 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1cnc(C(C)(C)C)s1)C(C)C ZINC001677219119 1198492784 /nfs/dbraw/zinc/49/27/84/1198492784.db2.gz MSJDBHPWJZIHOX-UHFFFAOYSA-N 0 3 323.506 3.409 20 30 DGEDHN C#CCCCC(=O)N[C@H](CNCC=C(Cl)Cl)C(C)(C)C ZINC001677243677 1198500660 /nfs/dbraw/zinc/50/06/60/1198500660.db2.gz ZVBIZDOXELZGMW-GFCCVEGCSA-N 0 3 319.276 3.229 20 30 DGEDHN C=C(Cl)CNC[C@@H](NC(=O)c1cc2occc2[nH]1)C(C)(C)C ZINC001677252933 1198502233 /nfs/dbraw/zinc/50/22/33/1198502233.db2.gz MLHWDAIPQWMCOY-CQSZACIVSA-N 0 3 323.824 3.248 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C1CCN(Cc2cccnc2)CC1 ZINC001677364136 1198523419 /nfs/dbraw/zinc/52/34/19/1198523419.db2.gz UGMCIYPFRSXOCW-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1=CCN(CCOCC(C)C)CC1 ZINC001677587205 1198557468 /nfs/dbraw/zinc/55/74/68/1198557468.db2.gz 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C=C(C)CN(C)CCN(C)C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001753869210 1200020579 /nfs/dbraw/zinc/02/05/79/1200020579.db2.gz LCMUWZWTAJQUPT-SFHVURJKSA-N 0 3 318.461 3.155 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cc(C)ns1 ZINC001689083540 1200022810 /nfs/dbraw/zinc/02/28/10/1200022810.db2.gz MJNYXNQJWMVMIL-HIFRSBDPSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)/C=C\C(C)(C)C ZINC001689141743 1200043948 /nfs/dbraw/zinc/04/39/48/1200043948.db2.gz BVGXLHRJTDFRDA-LLJMTJBISA-N 0 3 316.489 3.217 20 30 DGEDHN C=CCC1(C(=O)N(CC)CCNCc2cnc(C)s2)CCC1 ZINC001754065485 1200093044 /nfs/dbraw/zinc/09/30/44/1200093044.db2.gz HDTIQECNYZBNKO-UHFFFAOYSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](F)Cc1ccccc1 ZINC001689355120 1200108402 /nfs/dbraw/zinc/10/84/02/1200108402.db2.gz KMBFZZPHJGVEPP-ROUUACIJSA-N 0 3 318.436 3.066 20 30 DGEDHN CCC(C)(C)CC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001754125038 1200110284 /nfs/dbraw/zinc/11/02/84/1200110284.db2.gz 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CC(C)=CC(=O)N1CCCC[C@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001689897521 1200320597 /nfs/dbraw/zinc/32/05/97/1200320597.db2.gz ZKRYWSHAOQKIKU-QUCCMNQESA-N 0 3 324.468 3.364 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCN1CC(C)C)c1ccccc1 ZINC001754505556 1200323535 /nfs/dbraw/zinc/32/35/35/1200323535.db2.gz PXAVRUQXOAOERT-ROUUACIJSA-N 0 3 300.446 3.193 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C1(C)CCC1 ZINC001689950645 1200342277 /nfs/dbraw/zinc/34/22/77/1200342277.db2.gz WEKQKTVEALMLMO-UHFFFAOYSA-N 0 3 312.457 3.057 20 30 DGEDHN CC#CCN(CCCNC(=O)C(C1CCC1)C1CCC1)C1CC1 ZINC001690002386 1200363050 /nfs/dbraw/zinc/36/30/50/1200363050.db2.gz IJCMKDGTLNYXLU-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001754558063 1200364529 /nfs/dbraw/zinc/36/45/29/1200364529.db2.gz WUUPVRXKMHROLP-QFBILLFUSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001690044438 1200384046 /nfs/dbraw/zinc/38/40/46/1200384046.db2.gz PICFMTXWHOZWPV-MRXNPFEDSA-N 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ZINC001754679970 1200438485 /nfs/dbraw/zinc/43/84/85/1200438485.db2.gz DOFAOXSLHBNRBB-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001690192978 1200447242 /nfs/dbraw/zinc/44/72/42/1200447242.db2.gz UGVUSKRHWZVMMX-XLNAKTSKSA-N 0 3 324.896 3.493 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001690208777 1200455858 /nfs/dbraw/zinc/45/58/58/1200455858.db2.gz WRBKWZWJHBZSIW-ZQOJQMTGSA-N 0 3 302.462 3.207 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001690291442 1200482414 /nfs/dbraw/zinc/48/24/14/1200482414.db2.gz XLZGIYOLCBLETL-UBHSHLNASA-N 0 3 300.874 3.438 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001690295119 1200485874 /nfs/dbraw/zinc/48/58/74/1200485874.db2.gz LILMIOXBKRMVBU-WKILWMFISA-N 0 3 320.864 3.245 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001690338193 1200501454 /nfs/dbraw/zinc/50/14/54/1200501454.db2.gz NQJYQDVTYBLKPI-CALCHBBNSA-N 0 3 316.420 3.331 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(CCNCC#CC)Cc1ccccc1 ZINC001754839001 1200514711 /nfs/dbraw/zinc/51/47/11/1200514711.db2.gz YCWDYQTUCVGXLQ-UHFFFAOYSA-N 0 3 312.457 3.230 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001754905998 1200533662 /nfs/dbraw/zinc/53/36/62/1200533662.db2.gz SRPJHDYAGMQTOZ-INIZCTEOSA-N 0 3 310.869 3.458 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001754946291 1200548586 /nfs/dbraw/zinc/54/85/86/1200548586.db2.gz DBJUEMFOWVWYLS-TZIWHRDSSA-N 0 3 324.468 3.338 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCc1cccs1 ZINC001690460091 1200574516 /nfs/dbraw/zinc/57/45/16/1200574516.db2.gz ZFWZBJLNCLTHMX-OAHLLOKOSA-N 0 3 306.475 3.228 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC2(C)CC2)C1 ZINC001755047355 1200617817 /nfs/dbraw/zinc/61/78/17/1200617817.db2.gz MSEZDRWSCDOVPF-ZWKOTPCHSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001755076023 1200628971 /nfs/dbraw/zinc/62/89/71/1200628971.db2.gz RPVBFTYOWQUPEA-IBGZPJMESA-N 0 3 324.468 3.462 20 30 DGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CC1CC(C)C1)C2 ZINC001755100802 1200635334 /nfs/dbraw/zinc/63/53/34/1200635334.db2.gz HSUIVJUYAGODJP-UHFFFAOYSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2sc(C)nc2C)CCC1 ZINC001690619497 1200653212 /nfs/dbraw/zinc/65/32/12/1200653212.db2.gz WSFLLQWZFXVBSE-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CC(C)C)CCCC2)C[C@H]1C ZINC001755167645 1200675107 /nfs/dbraw/zinc/67/51/07/1200675107.db2.gz RENLIOMOXRFOKL-SJORKVTESA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001755171129 1200676604 /nfs/dbraw/zinc/67/66/04/1200676604.db2.gz KXQBNAXWBTULPR-RTBURBONSA-N 0 3 324.468 3.468 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C1CCCCC1 ZINC001755222569 1200712531 /nfs/dbraw/zinc/71/25/31/1200712531.db2.gz FIUKSTINFNRBLC-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001755229681 1200718463 /nfs/dbraw/zinc/71/84/63/1200718463.db2.gz DSCCUYHNDLRLRH-QTMMWEQMSA-N 0 3 318.848 3.141 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001755231128 1200719996 /nfs/dbraw/zinc/71/99/96/1200719996.db2.gz PVRUGMKDRBPJPU-YDYWWVRFSA-N 0 3 318.848 3.141 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001755248012 1200733013 /nfs/dbraw/zinc/73/30/13/1200733013.db2.gz FSUGVMMSTLENDO-KBPBESRZSA-N 0 3 306.425 3.329 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2ccccc2F)C1 ZINC001755252487 1200738722 /nfs/dbraw/zinc/73/87/22/1200738722.db2.gz IJOMLKYQIBJGNL-ZIAGYGMSSA-N 0 3 304.409 3.165 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1cccc(C(F)F)c1 ZINC001755300136 1200779258 /nfs/dbraw/zinc/77/92/58/1200779258.db2.gz ZPBSPKLMLFBZBJ-CQSZACIVSA-N 0 3 322.399 3.220 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC001755298989 1200780487 /nfs/dbraw/zinc/78/04/87/1200780487.db2.gz PNBMFURVSFJQNF-KRWDZBQOSA-N 0 3 314.473 3.406 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(OC)c1 ZINC001755302398 1200781868 /nfs/dbraw/zinc/78/18/68/1200781868.db2.gz DNYYKDREXGXJQX-OAHLLOKOSA-N 0 3 318.461 3.234 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cccn1CC ZINC001690917234 1200782893 /nfs/dbraw/zinc/78/28/93/1200782893.db2.gz JYJPFNZHDVQRCS-HNNXBMFYSA-N 0 3 323.868 3.235 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)Cc1ccc(C2CCC2)cc1 ZINC001755309888 1200790218 /nfs/dbraw/zinc/79/02/18/1200790218.db2.gz KBNYMYAAYSJQDU-OAHLLOKOSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1c(C)cccc1C ZINC001690945425 1200801136 /nfs/dbraw/zinc/80/11/36/1200801136.db2.gz VPBZCAQPKDCDGH-UHFFFAOYSA-N 0 3 302.462 3.454 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001755322883 1200812714 /nfs/dbraw/zinc/81/27/14/1200812714.db2.gz CTZVRRPIXMUWRV-AWEZNQCLSA-N 0 3 300.402 3.286 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)cc1C)c1ccccc1 ZINC001691801926 1200814091 /nfs/dbraw/zinc/81/40/91/1200814091.db2.gz YGKICDURLLRJDE-FQEVSTJZSA-N 0 3 320.436 3.387 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccc(CC)cc1)c1ccccc1 ZINC001691800608 1200814275 /nfs/dbraw/zinc/81/42/75/1200814275.db2.gz KCMBVTHAZSJUOF-IBGZPJMESA-N 0 3 308.425 3.496 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC(F)(F)C1 ZINC001691813279 1200817778 /nfs/dbraw/zinc/81/77/78/1200817778.db2.gz QQYZQEVDYMCMRW-KFWWJZLASA-N 0 3 312.404 3.063 20 30 DGEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CCC ZINC001691817158 1200819519 /nfs/dbraw/zinc/81/95/19/1200819519.db2.gz LMZFPUILABLNMD-BNPWSIICSA-N 0 3 302.462 3.212 20 30 DGEDHN C=CCC[C@H](C(=O)N[C@H](C)C1CN(CC)C1)c1ccccc1 ZINC001755391871 1200873075 /nfs/dbraw/zinc/87/30/75/1200873075.db2.gz LPXPYKNGBPMGGO-QAPCUYQASA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCO[C@H](C)CC(C)C)C(C)(C)C1 ZINC001755405915 1200880114 /nfs/dbraw/zinc/88/01/14/1200880114.db2.gz ANDCCAINAGZBKO-SJORKVTESA-N 0 3 324.509 3.230 20 30 DGEDHN C=CCCCN1C[C@@H](NC(=O)c2scnc2CC)C(C)(C)C1 ZINC001755412079 1200886303 /nfs/dbraw/zinc/88/63/03/1200886303.db2.gz KDRLZHAOJSVNAZ-CQSZACIVSA-N 0 3 321.490 3.112 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)/C(C)=C/CC)C2)CC1 ZINC001691957239 1200887408 /nfs/dbraw/zinc/88/74/08/1200887408.db2.gz BKWJLMYIIZWVFT-QLGNDSFESA-N 0 3 302.462 3.069 20 30 DGEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)CCC=C(C)C)[C@@H]2C1 ZINC001755431724 1200895448 /nfs/dbraw/zinc/89/54/48/1200895448.db2.gz LSFVPSCNWYBKHW-MKXGPGLRSA-N 0 3 316.489 3.076 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1cnoc1C ZINC001691987842 1200897526 /nfs/dbraw/zinc/89/75/26/1200897526.db2.gz RWGBOBDFTNUUDJ-YOEHRIQHSA-N 0 3 319.449 3.056 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001755480375 1200914030 /nfs/dbraw/zinc/91/40/30/1200914030.db2.gz UDUWYIAQXXCZHL-IIAWOOMASA-N 0 3 300.874 3.440 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1ccsc1C ZINC001755517111 1200929565 /nfs/dbraw/zinc/92/95/65/1200929565.db2.gz UEZJDIVZYSOQMZ-LBPRGKRZSA-N 0 3 314.882 3.226 20 30 DGEDHN C=C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCCF)c1ccccc1 ZINC001692101272 1200929898 /nfs/dbraw/zinc/92/98/98/1200929898.db2.gz AZLFJTJMBUEZBM-BPQIPLTHSA-N 0 3 318.436 3.142 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C[C@@H](C)OC)C2)CCCCC1 ZINC001692162331 1200954891 /nfs/dbraw/zinc/95/48/91/1200954891.db2.gz OYYNPUZFCDQVQQ-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCCCC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001755600777 1200980672 /nfs/dbraw/zinc/98/06/72/1200980672.db2.gz HPJKOLOBNVLVAH-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC(C)(C)C1CCCCC1 ZINC001755610353 1200988296 /nfs/dbraw/zinc/98/82/96/1200988296.db2.gz MZGGZYYDOIJPBJ-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(Cl)ccc1Cl ZINC001755613869 1200990974 /nfs/dbraw/zinc/99/09/74/1200990974.db2.gz FJBWSXDVPZMQIX-LLVKDONJSA-N 0 3 313.228 3.067 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(Cl)ccc1Cl ZINC001755613870 1200991100 /nfs/dbraw/zinc/99/11/00/1200991100.db2.gz FJBWSXDVPZMQIX-NSHDSACASA-N 0 3 313.228 3.067 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)ccc1C ZINC001692260489 1200991214 /nfs/dbraw/zinc/99/12/14/1200991214.db2.gz DZMSSSSIVQESTP-KRWDZBQOSA-N 0 3 300.446 3.416 20 30 DGEDHN C[C@H](CN(C)C(=O)C1CCC=CCC1)NCC#Cc1ccccc1 ZINC001755618503 1200993636 /nfs/dbraw/zinc/99/36/36/1200993636.db2.gz VFSCGYIGWPLDCD-GOSISDBHSA-N 0 3 324.468 3.221 20 30 DGEDHN CC[C@@H](F)CN1CC[C@H](NC(=O)C#CC(C)(C)C)CC(C)(C)C1 ZINC001692275438 1200999283 /nfs/dbraw/zinc/99/92/83/1200999283.db2.gz HEBNUGCZYQGMOC-CVEARBPZSA-N 0 3 324.484 3.391 20 30 DGEDHN C/C=C(/C)C(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001755697854 1201025482 /nfs/dbraw/zinc/02/54/82/1201025482.db2.gz CBWRZNCZUISVFS-YPAHQVEXSA-N 0 3 323.440 3.138 20 30 DGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001755701871 1201026342 /nfs/dbraw/zinc/02/63/42/1201026342.db2.gz NGDLHXIFLJVUGD-MJGOQNOKSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCc2ccccc2C)[C@@H]1C ZINC001755720398 1201042063 /nfs/dbraw/zinc/04/20/63/1201042063.db2.gz FIZZOCLPWRABOM-WMZOPIPTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(C)c1 ZINC001692377247 1201044901 /nfs/dbraw/zinc/04/49/01/1201044901.db2.gz ZDCNJVPXJOMLOM-NEWSRXKRSA-N 0 3 312.457 3.350 20 30 DGEDHN CCc1cccc(CN2CCC[C@@H](NC(=O)C#CC3CC3)[C@H]2C)c1 ZINC001755731737 1201050977 /nfs/dbraw/zinc/05/09/77/1201050977.db2.gz POWLJVGWUMPPAH-OXQOHEQNSA-N 0 3 324.468 3.132 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2ncccc2C)C(C)(C)C1 ZINC001755757612 1201065904 /nfs/dbraw/zinc/06/59/04/1201065904.db2.gz OJDKNYOGPYJNFT-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C/C=C(\C)C(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001755820464 1201086372 /nfs/dbraw/zinc/08/63/72/1201086372.db2.gz QGYAJRAOXNXNHV-NPKHCMBQSA-N 0 3 312.457 3.125 20 30 DGEDHN CCc1cccc(CN2CC=C(CNC(=O)C#CC(C)C)CC2)c1 ZINC001755885434 1201119037 /nfs/dbraw/zinc/11/90/37/1201119037.db2.gz UAAUKCVXIMJBQX-UHFFFAOYSA-N 0 3 324.468 3.157 20 30 DGEDHN C=CCCC(=O)NCC1=CCN(CCCCC(F)(F)F)CC1 ZINC001755882838 1201119692 /nfs/dbraw/zinc/11/96/92/1201119692.db2.gz SXSBLGZAQHLABJ-UHFFFAOYSA-N 0 3 318.383 3.434 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2ccccc2CC)C1 ZINC001698547045 1201215886 /nfs/dbraw/zinc/21/58/86/1201215886.db2.gz QEVQERFXZHGZGY-SFHVURJKSA-N 0 3 314.473 3.194 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC001698554206 1201223587 /nfs/dbraw/zinc/22/35/87/1201223587.db2.gz KIHVCHRUZNQEKT-CQSZACIVSA-N 0 3 307.438 3.012 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001698552529 1201224514 /nfs/dbraw/zinc/22/45/14/1201224514.db2.gz YMOLSZVHYWSYFB-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1ccccc1F ZINC001698610337 1201279539 /nfs/dbraw/zinc/27/95/39/1201279539.db2.gz UJMRRGBEOJUURE-HNNXBMFYSA-N 0 3 306.425 3.412 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCC=C(Cl)Cl ZINC001698610358 1201279905 /nfs/dbraw/zinc/27/99/05/1201279905.db2.gz URAZNIVRQVZHQS-LLVKDONJSA-N 0 3 307.265 3.392 20 30 DGEDHN C=CCCC(=O)N[C@](C)(CNCc1cc(F)ccc1F)C1CC1 ZINC001698645100 1201308741 /nfs/dbraw/zinc/30/87/41/1201308741.db2.gz ROXYRTNNVWISTO-GOSISDBHSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)C#CC(C)(C)C)CCCC[C@H]1C ZINC001698651935 1201316109 /nfs/dbraw/zinc/31/61/09/1201316109.db2.gz BFSXENKXPUQOIU-RDTXWAMCSA-N 0 3 324.896 3.443 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCC[C@@H](CCNCC(=C)Cl)C1 ZINC001698681104 1201331337 /nfs/dbraw/zinc/33/13/37/1201331337.db2.gz VAGAHLIUCSDFIW-KAMPRCONSA-N 0 3 310.869 3.480 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](CCNCc2cnoc2C)C1 ZINC001698678965 1201331394 /nfs/dbraw/zinc/33/13/94/1201331394.db2.gz GXLILHVWYABKJA-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc(F)ccc2C)cc1 ZINC001698716226 1201355776 /nfs/dbraw/zinc/35/57/76/1201355776.db2.gz GKURRTXEGFSLIK-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)c2cccc(C)c2)cc1 ZINC001698720089 1201359099 /nfs/dbraw/zinc/35/90/99/1201359099.db2.gz SPFJTWRNFNIQRV-KRWDZBQOSA-N 0 3 320.436 3.138 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2(C)C(C)(C)C2(C)C)cc1 ZINC001698719214 1201359314 /nfs/dbraw/zinc/35/93/14/1201359314.db2.gz JSWFJJOQVYPPCA-UHFFFAOYSA-N 0 3 312.457 3.098 20 30 DGEDHN C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001698924777 1201578487 /nfs/dbraw/zinc/57/84/87/1201578487.db2.gz CMHHTFRMELENPP-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)c1ccsc1)C(C)C ZINC001698972919 1201627800 /nfs/dbraw/zinc/62/78/00/1201627800.db2.gz OYELEMUUUCPBRY-JSGCOSHPSA-N 0 3 314.882 3.335 20 30 DGEDHN CCC(C)(C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001698975999 1201633094 /nfs/dbraw/zinc/63/30/94/1201633094.db2.gz TWLRIPUFAWLEPH-GOSISDBHSA-N 0 3 314.473 3.205 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cccc(CC)c1 ZINC001750927200 1201723614 /nfs/dbraw/zinc/72/36/14/1201723614.db2.gz KYLINWDTCGKBDG-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC001699135361 1201724681 /nfs/dbraw/zinc/72/46/81/1201724681.db2.gz NQTRXUCPGFKCTL-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1cccc(C)c1 ZINC001699168171 1201737518 /nfs/dbraw/zinc/73/75/18/1201737518.db2.gz ADBGLUBLJZPTIL-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)CC(C)(C)C ZINC001699170886 1201741241 /nfs/dbraw/zinc/74/12/41/1201741241.db2.gz PIVQOVWDEPICAZ-UHFFFAOYSA-N 0 3 319.424 3.072 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001752144866 1201785835 /nfs/dbraw/zinc/78/58/35/1201785835.db2.gz YNFWWSPYNLXWSB-ZBFHGGJFSA-N 0 3 321.852 3.115 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001699360698 1201810817 /nfs/dbraw/zinc/81/08/17/1201810817.db2.gz JHLKMBFOVNRYPE-QKXCFHHRSA-N 0 3 318.848 3.142 20 30 DGEDHN CC#CCN(CCCNC(=O)c1oc2ccccc2c1C)C1CC1 ZINC001752285453 1201818202 /nfs/dbraw/zinc/81/82/02/1201818202.db2.gz WBBBENZRSNCFIB-UHFFFAOYSA-N 0 3 324.424 3.349 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001752282935 1201818590 /nfs/dbraw/zinc/81/85/90/1201818590.db2.gz ABORFIHVIKHRMS-JKSUJKDBSA-N 0 3 306.494 3.299 20 30 DGEDHN CC[C@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001699382379 1201828650 /nfs/dbraw/zinc/82/86/50/1201828650.db2.gz QVMMNWCYMYVGIV-QWHCGFSZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CNCc2ncccc2C)CCCC1 ZINC001699391965 1201834146 /nfs/dbraw/zinc/83/41/46/1201834146.db2.gz BFJJONLVPWGBHX-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2ccc(C)o2)CC1 ZINC001752433947 1201837083 /nfs/dbraw/zinc/83/70/83/1201837083.db2.gz WWEKFPCBBKUIKU-UHFFFAOYSA-N 0 3 318.461 3.410 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H](C)CN[C@H](C)c1cccc(Cl)c1F ZINC001699400590 1201838688 /nfs/dbraw/zinc/83/86/88/1201838688.db2.gz RPGMYBDQVBWFCD-QWHCGFSZSA-N 0 3 324.827 3.294 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001699414887 1201848615 /nfs/dbraw/zinc/84/86/15/1201848615.db2.gz CNBULNMCXCUIPC-NWDGAFQWSA-N 0 3 310.388 3.332 20 30 DGEDHN C=CC1(CC(=O)N[C@@H](C)CNCc2cccnc2)CCCCC1 ZINC001699424365 1201855899 /nfs/dbraw/zinc/85/58/99/1201855899.db2.gz WMTLCZKEXVAKIA-INIZCTEOSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OCC)C(C)C ZINC001752535015 1201871479 /nfs/dbraw/zinc/87/14/79/1201871479.db2.gz VQMBVVVDIFRNDE-WNRNVDISSA-N 0 3 322.493 3.077 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C)nc1C1CC1 ZINC001699524325 1201934236 /nfs/dbraw/zinc/93/42/36/1201934236.db2.gz KFIWERNVLYCQQB-UHFFFAOYSA-N 0 3 321.852 3.072 20 30 DGEDHN Cc1ccc(CN2CCCC[C@@H]2CNC(=O)C#CC2CC2)cc1C ZINC001752819559 1201942404 /nfs/dbraw/zinc/94/24/04/1201942404.db2.gz YLXPOOUGZFDMOP-HXUWFJFHSA-N 0 3 324.468 3.188 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC001699627015 1201988900 /nfs/dbraw/zinc/98/89/00/1201988900.db2.gz KBBGSGLUCLBAFT-CQSZACIVSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001699628139 1201990584 /nfs/dbraw/zinc/99/05/84/1201990584.db2.gz NJHBFQGULJLYBC-INIZCTEOSA-N 0 3 316.445 3.082 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001752881935 1201991672 /nfs/dbraw/zinc/99/16/72/1201991672.db2.gz KQOHADIYILEUMG-STQMWFEESA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001699633198 1201998060 /nfs/dbraw/zinc/99/80/60/1201998060.db2.gz PBCOVVVOGPOLKD-RBUKOAKNSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001699633197 1201998772 /nfs/dbraw/zinc/99/87/72/1201998772.db2.gz PBCOVVVOGPOLKD-OALUTQOASA-N 0 3 314.473 3.330 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001699652627 1202015780 /nfs/dbraw/zinc/01/57/80/1202015780.db2.gz COOCVOLTCWWNIE-UHFFFAOYSA-N 0 3 316.445 3.098 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CN[C@@H](C)c2c(F)cccc2F)C1 ZINC001752932707 1202017379 /nfs/dbraw/zinc/01/73/79/1202017379.db2.gz REPYPLPXCKEHBC-UONOGXRCSA-N 0 3 322.399 3.430 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001752978826 1202033881 /nfs/dbraw/zinc/03/38/81/1202033881.db2.gz SDCRDMPXPZFKKV-GJZGRUSLSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CC1(c2ccccc2)CC1 ZINC001753007702 1202056120 /nfs/dbraw/zinc/05/61/20/1202056120.db2.gz YJFHNZVECZMLDX-OAHLLOKOSA-N 0 3 320.864 3.345 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](NCc2csc(C)n2)C[C@@H]1C ZINC001699739249 1202060772 /nfs/dbraw/zinc/06/07/72/1202060772.db2.gz SXINYABEFQPXBM-DZGCQCFKSA-N 0 3 321.490 3.277 20 30 DGEDHN CN(CCNC(=O)C#CC(C)(C)C)Cc1ccccc1C1CC1 ZINC001753049107 1202082895 /nfs/dbraw/zinc/08/28/95/1202082895.db2.gz RHERHKNUGHFYBC-UHFFFAOYSA-N 0 3 312.457 3.162 20 30 DGEDHN CCCCCCCN1CC[C@@](C)(NC(=O)c2cncs2)C1 ZINC001699808067 1202086385 /nfs/dbraw/zinc/08/63/85/1202086385.db2.gz JMDWTQPMVGHYGH-MRXNPFEDSA-N 0 3 309.479 3.308 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC(C)=C(C)C)C2 ZINC001699805363 1202087184 /nfs/dbraw/zinc/08/71/84/1202087184.db2.gz QUIWPZYUPCVMFT-LJQANCHMSA-N 0 3 302.462 3.071 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001699869895 1202125374 /nfs/dbraw/zinc/12/53/74/1202125374.db2.gz VESOJTKVXNOSQG-SFHVURJKSA-N 0 3 322.399 3.291 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001753097188 1202129245 /nfs/dbraw/zinc/12/92/45/1202129245.db2.gz DHCVBZGBTITMRQ-KRWDZBQOSA-N 0 3 304.409 3.203 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2csc(Cl)c2)C1 ZINC001699878636 1202134110 /nfs/dbraw/zinc/13/41/10/1202134110.db2.gz YPFXNILISUMQQZ-INIZCTEOSA-N 0 3 324.877 3.257 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1CC ZINC001699929868 1202138568 /nfs/dbraw/zinc/13/85/68/1202138568.db2.gz BDYDQDHUWUNDAV-OTWHNJEPSA-N 0 3 312.457 3.228 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CCC3(C)CC3)C2)CC1 ZINC001699932967 1202140631 /nfs/dbraw/zinc/14/06/31/1202140631.db2.gz KESQYIFJSRVSNX-GOSISDBHSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001753117461 1202146821 /nfs/dbraw/zinc/14/68/21/1202146821.db2.gz AYNNBWZWXGVZQH-IEBWSBKVSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCCCN1CCC[C@H]1CNC(=O)c1cnc(C(C)C)s1 ZINC001753117948 1202147133 /nfs/dbraw/zinc/14/71/33/1202147133.db2.gz DZDPLGQPKQOAGP-AWEZNQCLSA-N 0 3 321.490 3.427 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cscc2C)C1 ZINC001700052167 1202169949 /nfs/dbraw/zinc/16/99/49/1202169949.db2.gz GZSVKWAKLRYAMK-CYBMUJFWSA-N 0 3 312.866 3.251 20 30 DGEDHN C=CCN(CCNC(=O)C[C@@H](C)c1cccc(F)c1)C1CC1 ZINC001753158830 1202174828 /nfs/dbraw/zinc/17/48/28/1202174828.db2.gz HVIZZFNQHSHJMT-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN CC(C)=CCN(C)Cc1ccccc1CNC(=O)C#CC(C)C ZINC001700092238 1202178417 /nfs/dbraw/zinc/17/84/17/1202178417.db2.gz WCSFUMTUDBNYPM-UHFFFAOYSA-N 0 3 312.457 3.360 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)c2ccco2)cc1 ZINC001700094876 1202179089 /nfs/dbraw/zinc/17/90/89/1202179089.db2.gz OMXMIXMEHJAVDJ-CVEARBPZSA-N 0 3 324.424 3.373 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cccc(F)c2C)cc1 ZINC001700095219 1202179436 /nfs/dbraw/zinc/17/94/36/1202179436.db2.gz USLRDCIYVMTHPL-OAHLLOKOSA-N 0 3 324.399 3.348 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(F)c(C)c2)cc1 ZINC001700095260 1202179450 /nfs/dbraw/zinc/17/94/50/1202179450.db2.gz VXGVJMWLLVANHF-HNNXBMFYSA-N 0 3 324.399 3.348 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2c[nH]cc2C2CC2)cc1 ZINC001700100948 1202180935 /nfs/dbraw/zinc/18/09/35/1202180935.db2.gz YPLLJNLDSZOEIE-CQSZACIVSA-N 0 3 321.424 3.106 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001700102575 1202181569 /nfs/dbraw/zinc/18/15/69/1202181569.db2.gz UUVTWQDLXNWRAS-SHTZXODSSA-N 0 3 319.449 3.042 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001753186646 1202182123 /nfs/dbraw/zinc/18/21/23/1202182123.db2.gz XDQKTKJFSKJTMP-CQSZACIVSA-N 0 3 319.424 3.072 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001700176429 1202196379 /nfs/dbraw/zinc/19/63/79/1202196379.db2.gz JKXUFILUBLPFSK-OQRGYWNNSA-N 0 3 310.869 3.293 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccncc1)c1ccc(C(C)C)cc1 ZINC001753294221 1202198556 /nfs/dbraw/zinc/19/85/56/1202198556.db2.gz HSJZFGCWHUMBSP-LJQANCHMSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccccn1)c1ccc(C(C)C)cc1 ZINC001753294413 1202198897 /nfs/dbraw/zinc/19/88/97/1202198897.db2.gz MMVGRGJKXBNDEO-LJQANCHMSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc(F)ccc1C)c1ccccc1 ZINC001753299219 1202200168 /nfs/dbraw/zinc/20/01/68/1202200168.db2.gz ARHQRIOBZNQBGL-GOSISDBHSA-N 0 3 312.388 3.381 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1ncc(C)cc1C)c1ccccc1 ZINC001753299581 1202200239 /nfs/dbraw/zinc/20/02/39/1202200239.db2.gz FMHLOIOJCWBIOY-GOSISDBHSA-N 0 3 323.440 3.335 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)C(F)(F)F)c1ccccc1 ZINC001753302132 1202201010 /nfs/dbraw/zinc/20/10/10/1202201010.db2.gz VHGMMBQICGXRSA-OCCSQVGLSA-N 0 3 314.351 3.208 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccc(OC)c(C)c1)c1ccccc1 ZINC001753312373 1202203163 /nfs/dbraw/zinc/20/31/63/1202203163.db2.gz QYDSFDPECRMAHR-GOSISDBHSA-N 0 3 324.424 3.250 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001700190778 1202205111 /nfs/dbraw/zinc/20/51/11/1202205111.db2.gz TXLOONVUZWTPSK-QZTJIDSGSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001753317471 1202207006 /nfs/dbraw/zinc/20/70/06/1202207006.db2.gz OQUHQXKBGDRTCW-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CCCC)C(C)C)C2 ZINC001700229189 1202216559 /nfs/dbraw/zinc/21/65/59/1202216559.db2.gz ILMZMWWILYNKJB-ICSRJNTNSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001700314210 1202233132 /nfs/dbraw/zinc/23/31/32/1202233132.db2.gz QYFOMZPTOSKAOI-CRAIPNDOSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1 ZINC001700328981 1202238891 /nfs/dbraw/zinc/23/88/91/1202238891.db2.gz AAROJDIRXSNHKX-LJQANCHMSA-N 0 3 323.440 3.310 20 30 DGEDHN C#CCCCCCC(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001753408202 1202244055 /nfs/dbraw/zinc/24/40/55/1202244055.db2.gz IHSWGPGZELREDE-QGZVFWFLSA-N 0 3 312.457 3.379 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001753410914 1202244622 /nfs/dbraw/zinc/24/46/22/1202244622.db2.gz VEJCFQDZFKYRFR-MRXNPFEDSA-N 0 3 300.446 3.145 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnc2ccsc2c1 ZINC001700355291 1202246325 /nfs/dbraw/zinc/24/63/25/1202246325.db2.gz GOQXVXCTTIREHV-AWEZNQCLSA-N 0 3 315.442 3.019 20 30 DGEDHN CC(C)=CCN(C)C[C@H]1CCCN1C(=O)CC#Cc1ccccc1 ZINC001700362698 1202250126 /nfs/dbraw/zinc/25/01/26/1202250126.db2.gz CUZVEKVBMWLAKG-HXUWFJFHSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C\c1ccc(C)cc1 ZINC001753427339 1202250976 /nfs/dbraw/zinc/25/09/76/1202250976.db2.gz GKSHGYWKEHULRY-DSQZMVHQSA-N 0 3 310.441 3.260 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCc2ccc(F)cc2)C1 ZINC001753445444 1202257276 /nfs/dbraw/zinc/25/72/76/1202257276.db2.gz MFSIEFWJEWOCDM-GOSISDBHSA-N 0 3 318.436 3.257 20 30 DGEDHN Cc1ccccc1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001700387256 1202258649 /nfs/dbraw/zinc/25/86/49/1202258649.db2.gz XUBPSFLTIYPYSB-ZWKOTPCHSA-N 0 3 320.436 3.143 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](C)[C@H](C)NC(=O)C#CC(C)C ZINC001700397694 1202261868 /nfs/dbraw/zinc/26/18/68/1202261868.db2.gz RERDDMRIHHFZSL-CABCVRRESA-N 0 3 320.864 3.291 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001700403498 1202263503 /nfs/dbraw/zinc/26/35/03/1202263503.db2.gz YNIGTXXAUYLYPE-QWHCGFSZSA-N 0 3 309.841 3.074 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001700402560 1202263574 /nfs/dbraw/zinc/26/35/74/1202263574.db2.gz VFEBDDKEICWTJF-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001700411234 1202265655 /nfs/dbraw/zinc/26/56/55/1202265655.db2.gz DVBAERYIVNVYOF-NGPFNDBQSA-N 0 3 317.458 3.125 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001700431341 1202270800 /nfs/dbraw/zinc/27/08/00/1202270800.db2.gz QLNMTTDBAJBNPQ-SJORKVTESA-N 0 3 314.473 3.347 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1ocnc1C ZINC001700445735 1202274504 /nfs/dbraw/zinc/27/45/04/1202274504.db2.gz RBMFRZDKDOAVBX-SFHVURJKSA-N 0 3 321.465 3.160 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C)(C)C(C)(F)F ZINC001700447869 1202275082 /nfs/dbraw/zinc/27/50/82/1202275082.db2.gz PZFLUIRHAYBLQT-UHFFFAOYSA-N 0 3 324.843 3.495 20 30 DGEDHN C[C@H](c1cccc(Cl)c1)N(C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001700460504 1202281372 /nfs/dbraw/zinc/28/13/72/1202281372.db2.gz MCXIUWKQCZEGFP-UONOGXRCSA-N 0 3 318.848 3.251 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001700471953 1202286158 /nfs/dbraw/zinc/28/61/58/1202286158.db2.gz WHDYBIGLTJGICF-CXAGYDPISA-N 0 3 318.436 3.462 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001700477827 1202288943 /nfs/dbraw/zinc/28/89/43/1202288943.db2.gz NIDXOXBSAIRJFA-LSDHHAIUSA-N 0 3 306.425 3.365 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1 ZINC001753592001 1202294925 /nfs/dbraw/zinc/29/49/25/1202294925.db2.gz WAHXWKGGDIWNGF-UHFFFAOYSA-N 0 3 320.436 3.346 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@H](F)C2)CCCCC1 ZINC001700513346 1202300113 /nfs/dbraw/zinc/30/01/13/1202300113.db2.gz ZTUBVRFPGHOMKN-KGLIPLIRSA-N 0 3 316.848 3.286 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H](C)CC ZINC001700517337 1202300927 /nfs/dbraw/zinc/30/09/27/1202300927.db2.gz PEGCBYOVAQTIIA-MJGOQNOKSA-N 0 3 314.473 3.349 20 30 DGEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H](C)CC ZINC001700517335 1202301008 /nfs/dbraw/zinc/30/10/08/1202301008.db2.gz PEGCBYOVAQTIIA-HKUYNNGSSA-N 0 3 314.473 3.349 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCCCN1Cc1cnccc1C ZINC001700523308 1202303931 /nfs/dbraw/zinc/30/39/31/1202303931.db2.gz JRAPSSQQSNTBQD-GOSISDBHSA-N 0 3 315.461 3.217 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001700524419 1202304454 /nfs/dbraw/zinc/30/44/54/1202304454.db2.gz XIBMXFMBZUHIDC-SFHVURJKSA-N 0 3 302.462 3.261 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCCc2sccc2C)C1 ZINC001700552206 1202312054 /nfs/dbraw/zinc/31/20/54/1202312054.db2.gz YJEXKGNDVHWWFJ-HNNXBMFYSA-N 0 3 320.502 3.392 20 30 DGEDHN CCCC1(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001753711574 1202318831 /nfs/dbraw/zinc/31/88/31/1202318831.db2.gz SCOYOVHEBMRFRE-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001700578384 1202318809 /nfs/dbraw/zinc/31/88/09/1202318809.db2.gz OECQQTYKQHFELR-JKSUJKDBSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCc2ncccc2C)CC1 ZINC001753711867 1202319190 /nfs/dbraw/zinc/31/91/90/1202319190.db2.gz YKAFATOPLJZNMK-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001700633308 1202325867 /nfs/dbraw/zinc/32/58/67/1202325867.db2.gz AUBGGRRXEBIOGI-NNUKFRKNSA-N 0 3 324.827 3.239 20 30 DGEDHN CCCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001753752026 1202328797 /nfs/dbraw/zinc/32/87/97/1202328797.db2.gz YRKQUQJVOHPNSU-CRAIPNDOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1CCC(F)CC1 ZINC001700674412 1202332309 /nfs/dbraw/zinc/33/23/09/1202332309.db2.gz TUWAXIYAQREKBP-IYXRBSQSSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](C)n1cccc1 ZINC001753778625 1202332659 /nfs/dbraw/zinc/33/26/59/1202332659.db2.gz ARHLOCFFFSWOLJ-HOTGVXAUSA-N 0 3 323.868 3.162 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001700682799 1202333495 /nfs/dbraw/zinc/33/34/95/1202333495.db2.gz UCNGFCKPLFYKEP-ZDUSSCGKSA-N 0 3 323.868 3.134 20 30 DGEDHN CCCC(=O)N1CCC[C@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001753803061 1202336354 /nfs/dbraw/zinc/33/63/54/1202336354.db2.gz ISKOQVFDVZFBRP-PKOBYXMFSA-N 0 3 312.457 3.055 20 30 DGEDHN CC/C(C)=C/C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001753829017 1202343153 /nfs/dbraw/zinc/34/31/53/1202343153.db2.gz MKKZMGVAFPRSFO-FLXZHSAZSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001700740726 1202346318 /nfs/dbraw/zinc/34/63/18/1202346318.db2.gz GVYPQMUGVQYKJB-OAHLLOKOSA-N 0 3 318.848 3.094 20 30 DGEDHN CCCC[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001700744762 1202347226 /nfs/dbraw/zinc/34/72/26/1202347226.db2.gz DKBSRQXGBQFYTP-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1OC ZINC001700750176 1202348106 /nfs/dbraw/zinc/34/81/06/1202348106.db2.gz GSCFZZIMBLBFNB-INIZCTEOSA-N 0 3 318.461 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccccc1Cl ZINC001700758422 1202349581 /nfs/dbraw/zinc/34/95/81/1202349581.db2.gz BFPCIJUDFLOECB-CYBMUJFWSA-N 0 3 308.853 3.489 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C)c2ccccc12 ZINC001700769787 1202352130 /nfs/dbraw/zinc/35/21/30/1202352130.db2.gz YTNKZWNLBVFSPV-MRXNPFEDSA-N 0 3 308.425 3.222 20 30 DGEDHN CC/C(C)=C\C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001700813256 1202354683 /nfs/dbraw/zinc/35/46/83/1202354683.db2.gz AMZHZZKUHFOZTM-JFJOFKMZSA-N 0 3 317.458 3.055 20 30 DGEDHN CC(C)=C(C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001700822390 1202355879 /nfs/dbraw/zinc/35/58/79/1202355879.db2.gz PVHPZYTYSIEYJJ-QUCCMNQESA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001700856147 1202360190 /nfs/dbraw/zinc/36/01/90/1202360190.db2.gz OHTNGLGKUAHDDK-MJGOQNOKSA-N 0 3 314.429 3.085 20 30 DGEDHN C=CCCC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001700856147 1202360191 /nfs/dbraw/zinc/36/01/91/1202360191.db2.gz OHTNGLGKUAHDDK-MJGOQNOKSA-N 0 3 314.429 3.085 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)Cc3ccccc3)CCC[C@@H]12 ZINC001700865509 1202361628 /nfs/dbraw/zinc/36/16/28/1202361628.db2.gz JEJSLBXMHHZLQQ-ILZDJORESA-N 0 3 312.457 3.164 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCc3ccccc3)CCC[C@@H]12 ZINC001700864137 1202361690 /nfs/dbraw/zinc/36/16/90/1202361690.db2.gz QYMUTGNWEQZHOO-TZIWHRDSSA-N 0 3 324.468 3.146 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC001700976100 1202375156 /nfs/dbraw/zinc/37/51/56/1202375156.db2.gz FNSRAFVQZQBXPV-ZWKOTPCHSA-N 0 3 300.446 3.145 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001701008706 1202380238 /nfs/dbraw/zinc/38/02/38/1202380238.db2.gz XHOJZBOFYMSGHE-XLIONFOSSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001701008707 1202380328 /nfs/dbraw/zinc/38/03/28/1202380328.db2.gz XHOJZBOFYMSGHE-YLJYHZDGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001707045309 1202568475 /nfs/dbraw/zinc/56/84/75/1202568475.db2.gz CEQFBQXYXOZEHA-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1ccsc1 ZINC001707051063 1202569502 /nfs/dbraw/zinc/56/95/02/1202569502.db2.gz GANACVUKZKOBEI-ZBFHGGJFSA-N 0 3 306.475 3.351 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CCN1CC1CC(F)(F)C1 ZINC001707052701 1202569743 /nfs/dbraw/zinc/56/97/43/1202569743.db2.gz XCJQSOZZUVZIDG-DZGCQCFKSA-N 0 3 314.420 3.167 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001707053841 1202570220 /nfs/dbraw/zinc/57/02/20/1202570220.db2.gz NCGFJIHOSHHZQS-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001707086201 1202572512 /nfs/dbraw/zinc/57/25/12/1202572512.db2.gz BKQWESAAXXSUOO-AVGNSLFASA-N 0 3 320.811 3.049 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)Cc2ccccc2)[C@H]1CC ZINC001707200666 1202576416 /nfs/dbraw/zinc/57/64/16/1202576416.db2.gz LMSYZOVVLCGRNF-CEXWTWQISA-N 0 3 314.473 3.410 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC001707245311 1202578396 /nfs/dbraw/zinc/57/83/96/1202578396.db2.gz YJABEGZMQAWANG-KGLIPLIRSA-N 0 3 309.479 3.306 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCCC(F)(F)F ZINC001707275273 1202580217 /nfs/dbraw/zinc/58/02/17/1202580217.db2.gz MANMGPHROYZHLK-ZDUSSCGKSA-N 0 3 306.372 3.218 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)[C@H]2CCCO2)CC1 ZINC001713101373 1202617121 /nfs/dbraw/zinc/61/71/21/1202617121.db2.gz SFBLJELCLMJVOW-FUHWJXTLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001713101481 1202617181 /nfs/dbraw/zinc/61/71/81/1202617181.db2.gz UQYIOLUQYKCSAX-BRWVUGGUSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)[C@H]2CCCO2)CC1 ZINC001713101375 1202617217 /nfs/dbraw/zinc/61/72/17/1202617217.db2.gz SFBLJELCLMJVOW-SJLPKXTDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001713114237 1202618414 /nfs/dbraw/zinc/61/84/14/1202618414.db2.gz GRHCCFRKBGWSQN-IBGZPJMESA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001713141977 1202621419 /nfs/dbraw/zinc/62/14/19/1202621419.db2.gz QDUBROKEKRWFKK-OKZBNKHCSA-N 0 3 302.462 3.374 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC2 ZINC001713142809 1202621585 /nfs/dbraw/zinc/62/15/85/1202621585.db2.gz INZJWZHRPVVGJA-BBWFWOEESA-N 0 3 304.478 3.432 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC001713142861 1202621749 /nfs/dbraw/zinc/62/17/49/1202621749.db2.gz JZGSJOXBUMFFNO-ZJPYXAASSA-N 0 3 304.478 3.454 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCCCC)C1 ZINC001713184376 1202624833 /nfs/dbraw/zinc/62/48/33/1202624833.db2.gz GRQAUCYWQCJNLW-QZTJIDSGSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCCCC)C1 ZINC001713184375 1202624910 /nfs/dbraw/zinc/62/49/10/1202624910.db2.gz GRQAUCYWQCJNLW-MSOLQXFVSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1ccccc1F ZINC001713259504 1202632752 /nfs/dbraw/zinc/63/27/52/1202632752.db2.gz UYUIZZWKJKLZNW-QGZVFWFLSA-N 0 3 318.436 3.305 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001713328675 1202639470 /nfs/dbraw/zinc/63/94/70/1202639470.db2.gz UFHQUZJWHHTKFX-CYBMUJFWSA-N 0 3 300.402 3.239 20 30 DGEDHN CCCC(=O)N[C@H]1CCC[C@H](NCc2cc(F)ccc2C#N)C1 ZINC001713366735 1202642053 /nfs/dbraw/zinc/64/20/53/1202642053.db2.gz GGJSATMFONGBDZ-IRXDYDNUSA-N 0 3 317.408 3.014 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001713400687 1202645699 /nfs/dbraw/zinc/64/56/99/1202645699.db2.gz JOXXYTGWMCSKGS-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN C[C@@H](C(=O)NCC[C@H](C)NCc1ccccc1C#N)C(C)(C)C ZINC001713410045 1202646878 /nfs/dbraw/zinc/64/68/78/1202646878.db2.gz DOMXUSZXTWZQCI-GJZGRUSLSA-N 0 3 315.461 3.225 20 30 DGEDHN C=CCCC(=O)NCCN(C)Cc1cc2ccccc2s1 ZINC001713447641 1202650968 /nfs/dbraw/zinc/65/09/68/1202650968.db2.gz BTGNFEKJNRUZPB-UHFFFAOYSA-N 0 3 302.443 3.416 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001713468348 1202654587 /nfs/dbraw/zinc/65/45/87/1202654587.db2.gz UOOREEJUFATUCA-CQSZACIVSA-N 0 3 308.853 3.143 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cccc(Cl)c1Cl ZINC001713474692 1202655625 /nfs/dbraw/zinc/65/56/25/1202655625.db2.gz AJSNKHQEQUYMOG-UHFFFAOYSA-N 0 3 301.217 3.231 20 30 DGEDHN CCc1ccccc1CN(CC)CCNC(=O)C#CC(C)(C)C ZINC001713484921 1202657703 /nfs/dbraw/zinc/65/77/03/1202657703.db2.gz ZTKGDNWLLRVARQ-UHFFFAOYSA-N 0 3 314.473 3.237 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001713531006 1202665805 /nfs/dbraw/zinc/66/58/05/1202665805.db2.gz RBQIJHLAASXSIF-INIZCTEOSA-N 0 3 318.436 3.429 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccccc1CC(C)(C)C ZINC001713547318 1202668130 /nfs/dbraw/zinc/66/81/30/1202668130.db2.gz SCHVZPBQHQHVLM-UHFFFAOYSA-N 0 3 314.473 3.350 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001713550413 1202668543 /nfs/dbraw/zinc/66/85/43/1202668543.db2.gz XQLDRNHYUVGQOV-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001713550840 1202668975 /nfs/dbraw/zinc/66/89/75/1202668975.db2.gz POSDBHYDTMOCDJ-OAHLLOKOSA-N 0 3 320.864 3.295 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H](NCC(=C)C)c2ccccc2)cc1 ZINC001713699916 1202678531 /nfs/dbraw/zinc/67/85/31/1202678531.db2.gz BDDRIKFJMSYUCA-FQEVSTJZSA-N 0 3 318.420 3.305 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC001713700667 1202678669 /nfs/dbraw/zinc/67/86/69/1202678669.db2.gz LEEMDJWNNHBKKB-SFHVURJKSA-N 0 3 312.457 3.283 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C1Cc2ccccc2C1)c1ccccc1 ZINC001713704139 1202678951 /nfs/dbraw/zinc/67/89/51/1202678951.db2.gz BMAVBQYVZYBLJJ-FQEVSTJZSA-N 0 3 320.436 3.035 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccccc2C)C1 ZINC001713713808 1202679891 /nfs/dbraw/zinc/67/98/91/1202679891.db2.gz MDRRLQKBHSNEOJ-QGZVFWFLSA-N 0 3 300.446 3.498 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(CN(C)Cc2cnc(C)o2)CC1 ZINC001713763970 1202687985 /nfs/dbraw/zinc/68/79/85/1202687985.db2.gz LIESFEYKNIRASU-UHFFFAOYSA-N 0 3 319.449 3.010 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc2cc(C)c(C)cc2o1)C1CC1 ZINC001713774291 1202689045 /nfs/dbraw/zinc/68/90/45/1202689045.db2.gz BEFIOBYJJKLCPM-UHFFFAOYSA-N 0 3 324.424 3.267 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc(C)o1 ZINC001713911741 1202701720 /nfs/dbraw/zinc/70/17/20/1202701720.db2.gz JQKJXXICMYFIMN-ZACQAIPSSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)o1 ZINC001713927817 1202702982 /nfs/dbraw/zinc/70/29/82/1202702982.db2.gz MFYVKOMLDNZVPO-AGIUHOORSA-N 0 3 308.809 3.186 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccsc1 ZINC001713934541 1202703574 /nfs/dbraw/zinc/70/35/74/1202703574.db2.gz XHQUCKSUEVHUQW-IRXDYDNUSA-N 0 3 318.486 3.322 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(F)(F)C1 ZINC001713939063 1202703680 /nfs/dbraw/zinc/70/36/80/1202703680.db2.gz AIZSFWKWENXVJI-RDBSUJKOSA-N 0 3 312.404 3.062 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001713950333 1202704759 /nfs/dbraw/zinc/70/47/59/1202704759.db2.gz TXVOBAHTFCGFAN-QAQDUYKDSA-N 0 3 315.461 3.298 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001713964697 1202708245 /nfs/dbraw/zinc/70/82/45/1202708245.db2.gz INMQPKPWGAUBII-UBHSHLNASA-N 0 3 300.874 3.438 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001713975035 1202711707 /nfs/dbraw/zinc/71/17/07/1202711707.db2.gz IKKCQCPLKUIPAM-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001714004510 1202723060 /nfs/dbraw/zinc/72/30/60/1202723060.db2.gz NCTGJICHRWKMBH-IYOUNJFTSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001714026206 1202735414 /nfs/dbraw/zinc/73/54/14/1202735414.db2.gz ZJCGINVRVHFJDI-YOEHRIQHSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2sc(C)nc2C)C1 ZINC001714029061 1202738563 /nfs/dbraw/zinc/73/85/63/1202738563.db2.gz KQRYEVAYZHWHQB-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccccc2CC)C1 ZINC001714041597 1202746174 /nfs/dbraw/zinc/74/61/74/1202746174.db2.gz ZLZCALJROFVPSG-IBGZPJMESA-N 0 3 314.473 3.290 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2cccc(C)c2)C1 ZINC001714045256 1202748872 /nfs/dbraw/zinc/74/88/72/1202748872.db2.gz GQFIXDCTIZJXAF-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001714046888 1202749696 /nfs/dbraw/zinc/74/96/96/1202749696.db2.gz OGIFTGRTGKHFPW-WMZOPIPTSA-N 0 3 322.493 3.223 20 30 DGEDHN CCCC(=O)NC1(CNCc2cc(C#N)ccc2F)CCCC1 ZINC001714125738 1202792851 /nfs/dbraw/zinc/79/28/51/1202792851.db2.gz BRCQCQLOBVFKJD-UHFFFAOYSA-N 0 3 317.408 3.016 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2CC3(CCC3)C2)CCCC1 ZINC001714139240 1202797182 /nfs/dbraw/zinc/79/71/82/1202797182.db2.gz LPKFUGBPXWVOBL-UHFFFAOYSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#CC ZINC001714144006 1202800704 /nfs/dbraw/zinc/80/07/04/1202800704.db2.gz ISUJTOQGCDDRPU-MSOLQXFVSA-N 0 3 302.462 3.212 20 30 DGEDHN CCCCC(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001714159626 1202810749 /nfs/dbraw/zinc/81/07/49/1202810749.db2.gz LERFXGZCQMGFCZ-FQEVSTJZSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC1CCC(NCc2cnc(C)o2)CC1 ZINC001714192602 1202825198 /nfs/dbraw/zinc/82/51/98/1202825198.db2.gz BUDAQTFHMQDTDZ-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)NCCC1CCN(Cc2cncc(C)c2)CC1 ZINC001714324595 1202882637 /nfs/dbraw/zinc/88/26/37/1202882637.db2.gz MFDJMNGCEKRMSM-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001714436269 1202932548 /nfs/dbraw/zinc/93/25/48/1202932548.db2.gz PZOGBGDZMIJASA-SQSZOCELSA-N 0 3 324.468 3.426 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001714449235 1202941391 /nfs/dbraw/zinc/94/13/91/1202941391.db2.gz ZTKFPRZXNYCPBQ-HXUWFJFHSA-N 0 3 322.452 3.206 20 30 DGEDHN CC(C)C(=O)NCCC[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC001714505556 1202968031 /nfs/dbraw/zinc/96/80/31/1202968031.db2.gz HWXFEPNXMJTNBR-CQSZACIVSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001714507745 1202969825 /nfs/dbraw/zinc/96/98/25/1202969825.db2.gz MVJMIHUHGAZMGA-UHFFFAOYSA-N 0 3 319.449 3.104 20 30 DGEDHN C#CCCN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001714559724 1203003705 /nfs/dbraw/zinc/00/37/05/1203003705.db2.gz 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/nfs/dbraw/zinc/06/92/63/1203069263.db2.gz HACQMQQCSJLVOU-BEFAXECRSA-N 0 3 318.436 3.366 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1csc2cc(C)ccc21 ZINC001714653281 1203076013 /nfs/dbraw/zinc/07/60/13/1203076013.db2.gz KRRHENFFMRLRPS-UHFFFAOYSA-N 0 3 314.454 3.285 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001714654406 1203077537 /nfs/dbraw/zinc/07/75/37/1203077537.db2.gz RFWPLQKHEWCMHS-OALUTQOASA-N 0 3 312.457 3.032 20 30 DGEDHN C=CCN(CCNC(=O)c1c(CC)oc2ccccc21)C1CC1 ZINC001714677138 1203097680 /nfs/dbraw/zinc/09/76/80/1203097680.db2.gz XTRPWBNRBQIIBZ-UHFFFAOYSA-N 0 3 312.413 3.375 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001714733478 1203112537 /nfs/dbraw/zinc/11/25/37/1203112537.db2.gz ZOCSLEFREBWBAS-VXGBXAGGSA-N 0 3 307.265 3.344 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001714777943 1203125054 /nfs/dbraw/zinc/12/50/54/1203125054.db2.gz SUGNVVOOJIFVSQ-KRWDZBQOSA-N 0 3 312.457 3.077 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC001714844071 1203148757 /nfs/dbraw/zinc/14/87/57/1203148757.db2.gz ZZIDTWAGEFJYGR-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccccc1OCC)c1ccccc1 ZINC001714850120 1203150918 /nfs/dbraw/zinc/15/09/18/1203150918.db2.gz RWOCVMVJNYZPON-SFHVURJKSA-N 0 3 324.424 3.332 20 30 DGEDHN C#CCCCCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001714963778 1203219542 /nfs/dbraw/zinc/21/95/42/1203219542.db2.gz UGWZYIHRXLDYQJ-KRWDZBQOSA-N 0 3 312.457 3.298 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC(F)(F)F ZINC001714992928 1203228217 /nfs/dbraw/zinc/22/82/17/1203228217.db2.gz OVUAUBHSIRWTAH-STQMWFEESA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001714997833 1203230666 /nfs/dbraw/zinc/23/06/66/1203230666.db2.gz CFLNSYNLORQQCS-ZDUSSCGKSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2sc(CCC)nc2C)C1 ZINC001715002730 1203232150 /nfs/dbraw/zinc/23/21/50/1203232150.db2.gz PQMQJIGFUHKRAP-AWEZNQCLSA-N 0 3 321.490 3.174 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001715019590 1203240235 /nfs/dbraw/zinc/24/02/35/1203240235.db2.gz QDSIBMXLLIWMMC-KDOFPFPSSA-N 0 3 316.420 3.312 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2c(C)cccc2Cl)C1 ZINC001715040827 1203249684 /nfs/dbraw/zinc/24/96/84/1203249684.db2.gz NLIMVLDLKKBQOZ-OAHLLOKOSA-N 0 3 320.864 3.300 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](CC)N[C@H](C)c1ccc(F)cc1F ZINC001715062891 1203259542 /nfs/dbraw/zinc/25/95/42/1203259542.db2.gz ZLQVMDSNLLVIOQ-UKRRQHHQSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001715092229 1203270315 /nfs/dbraw/zinc/27/03/15/1203270315.db2.gz OZWVSRBLWBCRAC-UHFFFAOYSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(CC)ccn2)CCCC1 ZINC001715094619 1203271040 /nfs/dbraw/zinc/27/10/40/1203271040.db2.gz ILQOVHPSGBRUPP-UHFFFAOYSA-N 0 3 321.852 3.029 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001715112846 1203276429 /nfs/dbraw/zinc/27/64/29/1203276429.db2.gz LDYKIXNMSCUGIT-QGZVFWFLSA-N 0 3 312.885 3.296 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC001715117433 1203277678 /nfs/dbraw/zinc/27/76/78/1203277678.db2.gz NVSGQAMPNHTIAP-HZPDHXFCSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001715134634 1203282964 /nfs/dbraw/zinc/28/29/64/1203282964.db2.gz MLPDKFCXOLSQPM-CQSZACIVSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001715162493 1203287089 /nfs/dbraw/zinc/28/70/89/1203287089.db2.gz RUQYAVUVFYOMER-ZFWWWQNUSA-N 0 3 312.885 3.393 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@]1(C)CC=CCC1 ZINC001715336092 1203318157 /nfs/dbraw/zinc/31/81/57/1203318157.db2.gz KOROCUHLYWTMEM-GHTZIAJQSA-N 0 3 324.468 3.221 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001715338932 1203319010 /nfs/dbraw/zinc/31/90/10/1203319010.db2.gz YYJOIGAGEVBYQY-QZTJIDSGSA-N 0 3 314.473 3.301 20 30 DGEDHN C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001715459725 1203344233 /nfs/dbraw/zinc/34/42/33/1203344233.db2.gz GGDPZDUNYXBSNX-DOTOQJQBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C1CCC(C(=O)N2CCC(CCN(C)CCF)CC2)CC1 ZINC001715474964 1203347677 /nfs/dbraw/zinc/34/76/77/1203347677.db2.gz GMVWSDNXTMSMCF-UHFFFAOYSA-N 0 3 310.457 3.263 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(C)C1CCC1)C(C)C ZINC001715498899 1203353132 /nfs/dbraw/zinc/35/31/32/1203353132.db2.gz QMJXXOZCUGCOBO-CQSZACIVSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(OCC(C)C)c1 ZINC001715536906 1203365866 /nfs/dbraw/zinc/36/58/66/1203365866.db2.gz MOCOKHXYBAHSIA-UHFFFAOYSA-N 0 3 318.461 3.301 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1C(F)(F)F ZINC001715536336 1203366400 /nfs/dbraw/zinc/36/64/00/1203366400.db2.gz UCAZWSFXLCHPGU-UHFFFAOYSA-N 0 3 314.351 3.285 20 30 DGEDHN CC(C(=O)N[C@@H](C)CCNCc1ccccc1C#N)=C1CCC1 ZINC001715641581 1203376745 /nfs/dbraw/zinc/37/67/45/1203376745.db2.gz SVQDDFGWAZTBTE-AWEZNQCLSA-N 0 3 311.429 3.043 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1ncc(C)s1 ZINC001715675471 1203379841 /nfs/dbraw/zinc/37/98/41/1203379841.db2.gz BCTGSLSUQZDZPC-LRDDRELGSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001715688895 1203381045 /nfs/dbraw/zinc/38/10/45/1203381045.db2.gz XRJBOYKTLCWQHT-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC001715691508 1203381492 /nfs/dbraw/zinc/38/14/92/1203381492.db2.gz NWJPBIJRNYHMPO-GVDBMIGSSA-N 0 3 320.864 3.273 20 30 DGEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)CCC1(C)CC1 ZINC001715698327 1203381734 /nfs/dbraw/zinc/38/17/34/1203381734.db2.gz INESPWJIFCFRAK-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2cc(F)ccc2s1 ZINC001715772449 1203391128 /nfs/dbraw/zinc/39/11/28/1203391128.db2.gz ISSTZVWUWQNKHY-UHFFFAOYSA-N 0 3 318.417 3.115 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001715810682 1203394600 /nfs/dbraw/zinc/39/46/00/1203394600.db2.gz PQQWWWSZPZGGQE-UZYOAWRESA-N 0 3 320.383 3.091 20 30 DGEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C[C@H]2CC=CCC2)c1 ZINC001715852638 1203397982 /nfs/dbraw/zinc/39/79/82/1203397982.db2.gz PEGGOMZGZCPRKW-CHYADLBTSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2ccccc2s1 ZINC001715886712 1203400951 /nfs/dbraw/zinc/40/09/51/1203400951.db2.gz DVELQJXYHVZNHG-UHFFFAOYSA-N 0 3 302.443 3.481 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001715920099 1203404156 /nfs/dbraw/zinc/40/41/56/1203404156.db2.gz VDCUTDDICZLFCF-AWEZNQCLSA-N 0 3 306.425 3.489 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001715924325 1203404852 /nfs/dbraw/zinc/40/48/52/1203404852.db2.gz LATQXIVFTCLNPC-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN C=CCCCC(=O)N(C)CCN(C)Cc1ccc2c(c1)CCC2 ZINC001715936927 1203406617 /nfs/dbraw/zinc/40/66/17/1203406617.db2.gz BSRKJTRLLFDXHG-UHFFFAOYSA-N 0 3 314.473 3.422 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001715961025 1203411890 /nfs/dbraw/zinc/41/18/90/1203411890.db2.gz YKXQWWFKMVOITB-SFHVURJKSA-N 0 3 302.462 3.078 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1CCC2(CC2)CC1 ZINC001715984636 1203416194 /nfs/dbraw/zinc/41/61/94/1203416194.db2.gz CRQFSWMHKRCJTE-KRWDZBQOSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1ccc(C2CCC2)cc1 ZINC001716039073 1203431878 /nfs/dbraw/zinc/43/18/78/1203431878.db2.gz QVCMLWYOFJMINK-HNNXBMFYSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1c(Cl)oc2ccccc21 ZINC001716041663 1203433220 /nfs/dbraw/zinc/43/32/20/1203433220.db2.gz ZZUCHALOPDTGAQ-LLVKDONJSA-N 0 3 306.793 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc2ccccc2c1 ZINC001716177594 1203446346 /nfs/dbraw/zinc/44/63/46/1203446346.db2.gz ZSVOYGNMJHAFDV-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1coc2ccccc21 ZINC001716201139 1203448626 /nfs/dbraw/zinc/44/86/26/1203448626.db2.gz UDRBXZAMSORACM-LBPRGKRZSA-N 0 3 306.793 3.283 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001716233900 1203451771 /nfs/dbraw/zinc/45/17/71/1203451771.db2.gz WETBBICAMNGJFV-CXUHLZMHSA-N 0 3 311.429 3.019 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cccc(C(C)(C)C)c1 ZINC001716245696 1203453464 /nfs/dbraw/zinc/45/34/64/1203453464.db2.gz ODGPWTQQPCPPDD-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001716418918 1203469535 /nfs/dbraw/zinc/46/95/35/1203469535.db2.gz JMELMUVCVMFDHA-ZIAGYGMSSA-N 0 3 321.490 3.286 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C(F)=C1CCCC1 ZINC001716433957 1203473067 /nfs/dbraw/zinc/47/30/67/1203473067.db2.gz GLAICVHRPJLCTO-NSHDSACASA-N 0 3 321.421 3.012 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)C1(CCc2ccccc2)CC1 ZINC001716506550 1203495576 /nfs/dbraw/zinc/49/55/76/1203495576.db2.gz DHCWCFGPPAHMQL-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1ocnc1C ZINC001716517935 1203498166 /nfs/dbraw/zinc/49/81/66/1203498166.db2.gz IZHKWMQCUQGIOS-CVEARBPZSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCNCc1cc(F)ccc1F ZINC001716544077 1203501162 /nfs/dbraw/zinc/50/11/62/1203501162.db2.gz MWVKBVQHPRGAMO-UHFFFAOYSA-N 0 3 310.388 3.259 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCN1CCCc1cccc(C)c1 ZINC001716645996 1203512109 /nfs/dbraw/zinc/51/21/09/1203512109.db2.gz UHXLWGJRVLAAAA-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1cccc(C)c1 ZINC001716657253 1203515266 /nfs/dbraw/zinc/51/52/66/1203515266.db2.gz ICXFDFVCMOUEPK-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001716662435 1203517889 /nfs/dbraw/zinc/51/78/89/1203517889.db2.gz HKPLGSCNPVSQMH-RDJZCZTQSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001716664821 1203518410 /nfs/dbraw/zinc/51/84/10/1203518410.db2.gz ZPEUOSQTPIYSLT-UONOGXRCSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccccc1Cl ZINC001716669697 1203521092 /nfs/dbraw/zinc/52/10/92/1203521092.db2.gz VBUDMVIZBGWJBI-KBPBESRZSA-N 0 3 306.837 3.499 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001716669376 1203521140 /nfs/dbraw/zinc/52/11/40/1203521140.db2.gz NKAJFGGJZIQSNV-QGZVFWFLSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001716669699 1203521178 /nfs/dbraw/zinc/52/11/78/1203521178.db2.gz VBUDMVIZBGWJBI-UONOGXRCSA-N 0 3 306.837 3.499 20 30 DGEDHN CCCC[C@@H](C)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001716679908 1203523867 /nfs/dbraw/zinc/52/38/67/1203523867.db2.gz FFWVQFDAOINBKM-OAHLLOKOSA-N 0 3 313.445 3.123 20 30 DGEDHN CCc1ccccc1CNC1(CNC(=O)C#CC(C)(C)C)CC1 ZINC001716681456 1203524297 /nfs/dbraw/zinc/52/42/97/1203524297.db2.gz PJIQISKFOQSHPQ-UHFFFAOYSA-N 0 3 312.457 3.037 20 30 DGEDHN C=C(C)CCC(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001716683056 1203524623 /nfs/dbraw/zinc/52/46/23/1203524623.db2.gz REQVMUYKYMGLEF-QGZVFWFLSA-N 0 3 316.420 3.408 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001716689619 1203525242 /nfs/dbraw/zinc/52/52/42/1203525242.db2.gz DIVAWJUBTUSPIJ-ZDUSSCGKSA-N 0 3 304.409 3.337 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccccc2C2CC2)CC1 ZINC001716690401 1203525876 /nfs/dbraw/zinc/52/58/76/1203525876.db2.gz DXJMFIKFGRYCMG-UHFFFAOYSA-N 0 3 324.468 3.496 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCO[C@@H](C)CC(C)C ZINC001716710523 1203530094 /nfs/dbraw/zinc/53/00/94/1203530094.db2.gz HCAGLLWJBVVFQB-KSZLIROESA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001716728246 1203533067 /nfs/dbraw/zinc/53/30/67/1203533067.db2.gz QVKDXVKEDXBPEF-LJQANCHMSA-N 0 3 316.420 3.216 20 30 DGEDHN C=C(C)[C@H](CC(=O)N(C)C1CN(CC2CCCCC2)C1)OCC ZINC001716742465 1203535625 /nfs/dbraw/zinc/53/56/25/1203535625.db2.gz LVUWPBBIKPZHNC-SFHVURJKSA-N 0 3 322.493 3.081 20 30 DGEDHN CC(C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)=C1CCC1 ZINC001716776594 1203541301 /nfs/dbraw/zinc/54/13/01/1203541301.db2.gz KEEASTGRNDANHU-FQEVSTJZSA-N 0 3 322.452 3.119 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]1CC)C1CCN(CC(=C)C)CC1 ZINC001716809175 1203545673 /nfs/dbraw/zinc/54/56/73/1203545673.db2.gz SBGMMNQXWPLKEX-IEBWSBKVSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)[C@H](C)CCCC)C1CCN(CC(=C)C)CC1 ZINC001716805685 1203545690 /nfs/dbraw/zinc/54/56/90/1203545690.db2.gz XRGCHQJVWZVQNQ-QGZVFWFLSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(OC)c(C)c2)C1 ZINC001716900910 1203566055 /nfs/dbraw/zinc/56/60/55/1203566055.db2.gz XIWZTNCMIUMNTM-LJQANCHMSA-N 0 3 316.445 3.022 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1CC ZINC001716953629 1203569489 /nfs/dbraw/zinc/56/94/89/1203569489.db2.gz DIBXDWFANDCNAX-WBAXXEDZSA-N 0 3 300.446 3.228 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)/C=C\c1ccco1 ZINC001717113414 1203586165 /nfs/dbraw/zinc/58/61/65/1203586165.db2.gz QJWRDZZSEJHZAC-KHPPLWFESA-N 0 3 310.397 3.227 20 30 DGEDHN C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001717117400 1203586855 /nfs/dbraw/zinc/58/68/55/1203586855.db2.gz RLFLKFFFNJNHER-AWEZNQCLSA-N 0 3 310.397 3.159 20 30 DGEDHN C=CC[NH2+][C@H](C)c1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001717117401 1203587026 /nfs/dbraw/zinc/58/70/26/1203587026.db2.gz RLFLKFFFNJNHER-CQSZACIVSA-N 0 3 310.397 3.159 20 30 DGEDHN CC#CCNC1(CNC(=O)c2coc3cc(C)c(C)cc23)CCC1 ZINC001717154607 1203592496 /nfs/dbraw/zinc/59/24/96/1203592496.db2.gz GFIHDUUWKWWPOH-UHFFFAOYSA-N 0 3 324.424 3.315 20 30 DGEDHN C#CCNC1(CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)CCC1 ZINC001717161953 1203594103 /nfs/dbraw/zinc/59/41/03/1203594103.db2.gz FDZVZGCYRHJQDY-WMZOPIPTSA-N 0 3 312.457 3.078 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CCC1 ZINC001717161951 1203594112 /nfs/dbraw/zinc/59/41/12/1203594112.db2.gz FDZVZGCYRHJQDY-FUHWJXTLSA-N 0 3 312.457 3.078 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001717194539 1203597173 /nfs/dbraw/zinc/59/71/73/1203597173.db2.gz SQPZKGMEVXZKRI-GOSISDBHSA-N 0 3 316.420 3.100 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](CC)Cc1ccccc1 ZINC001717212916 1203603756 /nfs/dbraw/zinc/60/37/56/1203603756.db2.gz SBKZKQRWDXNSLF-IBGZPJMESA-N 0 3 314.473 3.059 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](c1ccccc1)C(C)C ZINC001717213040 1203604121 /nfs/dbraw/zinc/60/41/21/1203604121.db2.gz XJDGFOGBLNTRCH-LJQANCHMSA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001717215645 1203605577 /nfs/dbraw/zinc/60/55/77/1203605577.db2.gz QHSCINGXDQLCJR-UHFFFAOYSA-N 0 3 318.804 3.113 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001717246930 1203609528 /nfs/dbraw/zinc/60/95/28/1203609528.db2.gz WEOGSSHCBHHZME-IEBWSBKVSA-N 0 3 322.468 3.243 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CCC)C(C)C)C2 ZINC001717248049 1203609910 /nfs/dbraw/zinc/60/99/10/1203609910.db2.gz TZQPDQOZDFTIJH-QUCCMNQESA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3ccco3)cc2C1 ZINC001717269101 1203610565 /nfs/dbraw/zinc/61/05/65/1203610565.db2.gz AKDAVMJQUJKRAS-UHFFFAOYSA-N 0 3 310.397 3.491 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(Cl)cc1 ZINC001717342513 1203621869 /nfs/dbraw/zinc/62/18/69/1203621869.db2.gz DIHXIVDGEQUKMZ-NSHDSACASA-N 0 3 301.217 3.191 20 30 DGEDHN C=C(C)CCC(=O)NC1CC(CNCc2cc(F)ccc2F)C1 ZINC001717384528 1203632844 /nfs/dbraw/zinc/63/28/44/1203632844.db2.gz QHPWMNRRVSKDEE-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001717407151 1203637876 /nfs/dbraw/zinc/63/78/76/1203637876.db2.gz PLDGKLYRUNKOBH-AMNUONFKSA-N 0 3 317.408 3.036 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1cnc(C)s1 ZINC001717409493 1203638070 /nfs/dbraw/zinc/63/80/70/1203638070.db2.gz ORTQVUXZFGHJPI-RYUDHWBXSA-N 0 3 309.479 3.037 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001717408005 1203638129 /nfs/dbraw/zinc/63/81/29/1203638129.db2.gz FCEBXVKBEYZDGU-SJORKVTESA-N 0 3 314.473 3.203 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001717424911 1203641523 /nfs/dbraw/zinc/64/15/23/1203641523.db2.gz LMRHIOAISROXKB-CHWSQXEVSA-N 0 3 310.388 3.304 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1C1CC1 ZINC001717466524 1203653541 /nfs/dbraw/zinc/65/35/41/1203653541.db2.gz KLNZBKKOWKPLRY-OAHLLOKOSA-N 0 3 300.446 3.467 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001717474487 1203655937 /nfs/dbraw/zinc/65/59/37/1203655937.db2.gz NRCWMBYRPZZTLE-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC001717474167 1203656233 /nfs/dbraw/zinc/65/62/33/1203656233.db2.gz GZKHFJPAYYRKSD-INIZCTEOSA-N 0 3 318.461 3.296 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)CCc1scnc1C ZINC001717484355 1203660080 /nfs/dbraw/zinc/66/00/80/1203660080.db2.gz VWYGUHUQDNHXQK-CYBMUJFWSA-N 0 3 323.506 3.033 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1c(Cl)cccc1Cl ZINC001717496557 1203665785 /nfs/dbraw/zinc/66/57/85/1203665785.db2.gz LUIZGYMPDMWGGF-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)C(=O)C(C)(C)C)C(C)(C)C1 ZINC001717578523 1203684584 /nfs/dbraw/zinc/68/45/84/1203684584.db2.gz QJOGPOFTUYAFEC-HNNXBMFYSA-N 0 3 324.509 3.399 20 30 DGEDHN CC(C)C#CC(=O)N[C@H]1CN([C@@H](C)c2ccccc2)CC1(C)C ZINC001717580677 1203685190 /nfs/dbraw/zinc/68/51/90/1203685190.db2.gz YKFVXSSAWRJRJY-WMZOPIPTSA-N 0 3 312.457 3.234 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccccc2)C(C)(C)C1 ZINC001717585171 1203686458 /nfs/dbraw/zinc/68/64/58/1203686458.db2.gz LPJRIXSKWSQZRC-QGZVFWFLSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)C(C)(C)C1 ZINC001717588534 1203687769 /nfs/dbraw/zinc/68/77/69/1203687769.db2.gz CEQNIRGGVHDOFA-QULHZPMSSA-N 0 3 324.468 3.248 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C3(CC(C)C)CCC3)C[C@]2(C)C1 ZINC001717631418 1203691854 /nfs/dbraw/zinc/69/18/54/1203691854.db2.gz UMRXVPPSWSZEMF-KDURUIRLSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001717642179 1203693047 /nfs/dbraw/zinc/69/30/47/1203693047.db2.gz MPTNKSFSVGKMMF-MQMHXKEQSA-N 0 3 322.836 3.009 20 30 DGEDHN C=CCC1(C(=O)N2CCC(N(C)CCF)CC2)CCCCC1 ZINC001717705605 1203702997 /nfs/dbraw/zinc/70/29/97/1203702997.db2.gz KARLBMXLQZRVFW-UHFFFAOYSA-N 0 3 310.457 3.405 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1sc(C)nc1C ZINC001717738603 1203707413 /nfs/dbraw/zinc/70/74/13/1203707413.db2.gz PZIRLGNPQZHAHL-SWLSCSKDSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C2=CCCC2)cc1 ZINC001717755825 1203711156 /nfs/dbraw/zinc/71/11/56/1203711156.db2.gz IFKJJZVOKXZZHS-INIZCTEOSA-N 0 3 310.441 3.327 20 30 DGEDHN CCCCCC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001717820554 1203716471 /nfs/dbraw/zinc/71/64/71/1203716471.db2.gz TZNTYIJYWHUASS-IEBWSBKVSA-N 0 3 312.457 3.197 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001717825468 1203716723 /nfs/dbraw/zinc/71/67/23/1203716723.db2.gz GNEYCLVGTHDCCD-KXBFYZLASA-N 0 3 322.408 3.163 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001717825496 1203717139 /nfs/dbraw/zinc/71/71/39/1203717139.db2.gz GUOASMFOBMCBIF-WBVHZDCISA-N 0 3 324.424 3.266 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CCCC3CCCC3)CCC[C@H]12 ZINC001717841354 1203719519 /nfs/dbraw/zinc/71/95/19/1203719519.db2.gz QDLLENJQACCLPP-ICSRJNTNSA-N 0 3 316.489 3.483 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC001717850977 1203721447 /nfs/dbraw/zinc/72/14/47/1203721447.db2.gz ASJDPUGEMRCOEQ-OCCSQVGLSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2cccs2)[C@H]1C ZINC001717860491 1203723811 /nfs/dbraw/zinc/72/38/11/1203723811.db2.gz MDVINBGFLTVVMW-GDBMZVCRSA-N 0 3 306.475 3.226 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001717894934 1203729319 /nfs/dbraw/zinc/72/93/19/1203729319.db2.gz AMEQNYDATDCOFW-LJQANCHMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(OC)c(F)c1)C(C)C ZINC001717948096 1203732409 /nfs/dbraw/zinc/73/24/09/1203732409.db2.gz FPUYPSLMSWUVLJ-UHFFFAOYSA-N 0 3 322.424 3.193 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1ccc(Cl)cc1)C(C)C ZINC001717952392 1203734039 /nfs/dbraw/zinc/73/40/39/1203734039.db2.gz VQPFMNKHIJUQKB-UHFFFAOYSA-N 0 3 308.853 3.237 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C(C)C ZINC001717952269 1203734186 /nfs/dbraw/zinc/73/41/86/1203734186.db2.gz FYVZVRMSGLPMGG-MEUBEVTNSA-N 0 3 304.478 3.023 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001717985164 1203740448 /nfs/dbraw/zinc/74/04/48/1203740448.db2.gz ACMFLKKYKSDVLA-PXNSSMCTSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@]2(C)C=CCC2)c(F)c1 ZINC001718037412 1203745932 /nfs/dbraw/zinc/74/59/32/1203745932.db2.gz ZFIZEXRKMQKXCK-GOSISDBHSA-N 0 3 302.393 3.074 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(C)CCCNCc1ccccc1C#N ZINC001723095840 1203957317 /nfs/dbraw/zinc/95/73/17/1203957317.db2.gz IJPTYXILEQCQSC-YBEGLDIGSA-N 0 3 311.429 3.019 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001723442566 1203972084 /nfs/dbraw/zinc/97/20/84/1203972084.db2.gz AMSMKCAJDSJZEX-GXTWGEPZSA-N 0 3 317.458 3.388 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001723444140 1203973045 /nfs/dbraw/zinc/97/30/45/1203973045.db2.gz XXYWWOGFUVYKPF-GOSISDBHSA-N 0 3 300.446 3.003 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001723463951 1203975640 /nfs/dbraw/zinc/97/56/40/1203975640.db2.gz OWEQPZIQACLBFH-CVEARBPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)CC(F)(F)F ZINC001723471024 1203975990 /nfs/dbraw/zinc/97/59/90/1203975990.db2.gz RQQZAWQDLVUBKK-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001723472059 1203976766 /nfs/dbraw/zinc/97/67/66/1203976766.db2.gz XEYHFJYPCCFFOE-DNVCBOLYSA-N 0 3 323.440 3.394 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001723474202 1203977580 /nfs/dbraw/zinc/97/75/80/1203977580.db2.gz UUHHWZAJXCRBOO-WMLDXEAASA-N 0 3 313.445 3.118 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001723554043 1203982272 /nfs/dbraw/zinc/98/22/72/1203982272.db2.gz LWAQMSXUPADOQQ-GOSISDBHSA-N 0 3 300.446 3.336 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001723656529 1203987634 /nfs/dbraw/zinc/98/76/34/1203987634.db2.gz ILHDCSFHYLNWSR-XLAORIBOSA-N 0 3 322.493 3.079 20 30 DGEDHN CCCCCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001723885295 1203997724 /nfs/dbraw/zinc/99/77/24/1203997724.db2.gz OTFRYTQJHCAYDR-LJQANCHMSA-N 0 3 312.457 3.199 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1cc(C)ccc1F ZINC001723886876 1203997734 /nfs/dbraw/zinc/99/77/34/1203997734.db2.gz CXWVRFMLTDKLJB-INIZCTEOSA-N 0 3 304.409 3.181 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC001724013831 1204001713 /nfs/dbraw/zinc/00/17/13/1204001713.db2.gz DTAFBDHIPPMJFZ-UHFFFAOYSA-N 0 3 314.473 3.311 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc3ccccc3c2)C1 ZINC001724139711 1204008316 /nfs/dbraw/zinc/00/83/16/1204008316.db2.gz DMWIAHSGNOBAMY-YWZLYKJASA-N 0 3 321.424 3.080 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001724185268 1204013053 /nfs/dbraw/zinc/01/30/53/1204013053.db2.gz WSLYDKMMUXOQRK-APWZRJJASA-N 0 3 324.509 3.232 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001724343570 1204023772 /nfs/dbraw/zinc/02/37/72/1204023772.db2.gz SPBHHLQUJUTVNN-LNLFQRSKSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCCCCCC(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001724379702 1204025494 /nfs/dbraw/zinc/02/54/94/1204025494.db2.gz KLSSSZJPUDHWSU-HNNXBMFYSA-N 0 3 314.420 3.054 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CCCCCC)C[C@@H]2C1 ZINC001724625572 1204034624 /nfs/dbraw/zinc/03/46/24/1204034624.db2.gz KXKDVFYXVXSWFI-GBESFXJTSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@](C)(CC)CCCCC)C[C@@H]2C1 ZINC001724628322 1204034933 /nfs/dbraw/zinc/03/49/33/1204034933.db2.gz SGLDGRZZYUHGOQ-WSTZPKSXSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646030 1204035096 /nfs/dbraw/zinc/03/50/96/1204035096.db2.gz RAJFTVNSKDKBEB-IRXDYDNUSA-N 0 3 314.429 3.037 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646030 1204035099 /nfs/dbraw/zinc/03/50/99/1204035099.db2.gz RAJFTVNSKDKBEB-IRXDYDNUSA-N 0 3 314.429 3.037 20 30 DGEDHN C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646032 1204035354 /nfs/dbraw/zinc/03/53/54/1204035354.db2.gz RAJFTVNSKDKBEB-SJORKVTESA-N 0 3 314.429 3.037 20 30 DGEDHN C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001724646032 1204035356 /nfs/dbraw/zinc/03/53/56/1204035356.db2.gz RAJFTVNSKDKBEB-SJORKVTESA-N 0 3 314.429 3.037 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CC(C)C ZINC001724653640 1204036109 /nfs/dbraw/zinc/03/61/09/1204036109.db2.gz KORXJMPNOUQOIW-OKZBNKHCSA-N 0 3 304.478 3.147 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001724704461 1204038919 /nfs/dbraw/zinc/03/89/19/1204038919.db2.gz GLHHBRYAVFRFEP-RDJZCZTQSA-N 0 3 310.869 3.314 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2CCC(=C)CC2)cc1 ZINC001724748841 1204043181 /nfs/dbraw/zinc/04/31/81/1204043181.db2.gz KMYXWYMDZPGMCH-INIZCTEOSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)CCCC2CCCCC2)CC1 ZINC001724843319 1204053485 /nfs/dbraw/zinc/05/34/85/1204053485.db2.gz JEYUATIIQWXSOT-SFHVURJKSA-N 0 3 304.478 3.341 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CC2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001724965318 1204072028 /nfs/dbraw/zinc/07/20/28/1204072028.db2.gz GMUQJHMZAPACSG-LBPRGKRZSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)CCCc2cccs2)C(C)(C)C1 ZINC001724968800 1204073688 /nfs/dbraw/zinc/07/36/88/1204073688.db2.gz DVSDXPLGPPNNBB-MRXNPFEDSA-N 0 3 320.502 3.474 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(Cc3ccccc3)CC2)C[C@H]1C ZINC001724998663 1204077176 /nfs/dbraw/zinc/07/71/76/1204077176.db2.gz WGZKRWWYMHWCKX-MJGOQNOKSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CN(C)CCOC(C)C)CCC1 ZINC001725043674 1204084636 /nfs/dbraw/zinc/08/46/36/1204084636.db2.gz BCZUPNFBCLUGPX-QGZVFWFLSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1coc2ccccc12 ZINC001725049033 1204085929 /nfs/dbraw/zinc/08/59/29/1204085929.db2.gz MBLJLFYDQXWXKY-INIZCTEOSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC=C2 ZINC001725051867 1204086334 /nfs/dbraw/zinc/08/63/34/1204086334.db2.gz DXLLHPLDHJOJOS-IBGZPJMESA-N 0 3 310.441 3.368 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C(F)=C2CCCC2)C1 ZINC001725059379 1204087765 /nfs/dbraw/zinc/08/77/65/1204087765.db2.gz HUVKAKHTJIBEGB-UHFFFAOYSA-N 0 3 300.805 3.021 20 30 DGEDHN Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)o1 ZINC001725091283 1204092572 /nfs/dbraw/zinc/09/25/72/1204092572.db2.gz OAAHVERVZVVCKT-IAGOWNOFSA-N 0 3 324.424 3.045 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001725100656 1204094545 /nfs/dbraw/zinc/09/45/45/1204094545.db2.gz ZDZDOWIMCKFNDM-QWHCGFSZSA-N 0 3 321.490 3.285 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@H](C)NCc2ncccc2C)CC1 ZINC001725107274 1204096224 /nfs/dbraw/zinc/09/62/24/1204096224.db2.gz LFDWRZZMPXUAIO-JKSUJKDBSA-N 0 3 315.461 3.119 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001725166806 1204108826 /nfs/dbraw/zinc/10/88/26/1204108826.db2.gz ZJJYPFABCAHVKS-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(Cc2ccccc2)CCC1 ZINC001725167781 1204109091 /nfs/dbraw/zinc/10/90/91/1204109091.db2.gz ZIJJNRHPKMTHJW-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1CC ZINC001725171234 1204109861 /nfs/dbraw/zinc/10/98/61/1204109861.db2.gz IBQVRARFKGMMJS-KRWDZBQOSA-N 0 3 314.473 3.379 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001725190360 1204116399 /nfs/dbraw/zinc/11/63/99/1204116399.db2.gz MUKUZXJETZUFAA-RYQLBKOJSA-N 0 3 300.446 3.029 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCCC#CC)C[C@@H]2C1 ZINC001725331888 1204137351 /nfs/dbraw/zinc/13/73/51/1204137351.db2.gz AZRYLZWLOWMRFS-GVDBMIGSSA-N 0 3 322.880 3.149 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C2)C1 ZINC001725344849 1204139203 /nfs/dbraw/zinc/13/92/03/1204139203.db2.gz HZPLARJMTQCAOM-HOTGVXAUSA-N 0 3 306.494 3.415 20 30 DGEDHN CCCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001725473838 1204155191 /nfs/dbraw/zinc/15/51/91/1204155191.db2.gz FYKUVNQMXVOVDJ-OAHLLOKOSA-N 0 3 320.864 3.318 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001725504279 1204160969 /nfs/dbraw/zinc/16/09/69/1204160969.db2.gz YWBADGHLUOQHJY-AWEZNQCLSA-N 0 3 306.425 3.283 20 30 DGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001725610376 1204178705 /nfs/dbraw/zinc/17/87/05/1204178705.db2.gz KDSDVBXQZQUGCF-MJGOQNOKSA-N 0 3 313.445 3.051 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001725650639 1204191701 /nfs/dbraw/zinc/19/17/01/1204191701.db2.gz CURDRYFAVDJPGU-CVEARBPZSA-N 0 3 319.449 3.022 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCC=CCCC1)C(C)C ZINC001725728387 1204202722 /nfs/dbraw/zinc/20/27/22/1204202722.db2.gz PYUAOXMGLUZEFJ-SFHVURJKSA-N 0 3 304.478 3.315 20 30 DGEDHN C=CCN(C)CCN(C(=O)COc1ccc(Cl)cc1)C(C)C ZINC001725731678 1204204203 /nfs/dbraw/zinc/20/42/03/1204204203.db2.gz ALRMYBJHBNJFQZ-UHFFFAOYSA-N 0 3 324.852 3.074 20 30 DGEDHN CC(C)(C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001725749082 1204211104 /nfs/dbraw/zinc/21/11/04/1204211104.db2.gz DZDOKKBAKWLWIM-KRWDZBQOSA-N 0 3 314.473 3.205 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)C(C)C ZINC001725769432 1204217452 /nfs/dbraw/zinc/21/74/52/1204217452.db2.gz VUAMGHQKYQONQQ-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN CCCC(=O)N(C)C1CC(NCC#Cc2cccc(Cl)c2)C1 ZINC001725772108 1204218303 /nfs/dbraw/zinc/21/83/03/1204218303.db2.gz MSYQHZCXCHSFKX-UHFFFAOYSA-N 0 3 318.848 3.071 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H](C)c2cccc(F)c2)CC1 ZINC001725825114 1204227119 /nfs/dbraw/zinc/22/71/19/1204227119.db2.gz ALCRRANWQTXSOQ-HNNXBMFYSA-N 0 3 316.420 3.254 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)CC2CCCC2)c(F)c1 ZINC001725830174 1204229019 /nfs/dbraw/zinc/22/90/19/1204229019.db2.gz BLUMYFLWUSAZFC-UHFFFAOYSA-N 0 3 304.409 3.298 20 30 DGEDHN C=C(C)CN(CCNC(=O)C12CC(C(C)(C)C)(C1)C2)C1CC1 ZINC001753164833 1204329093 /nfs/dbraw/zinc/32/90/93/1204329093.db2.gz IHEZUPLXIFMUID-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(C)Cc2csc(C)c2)C1 ZINC001731265550 1204357804 /nfs/dbraw/zinc/35/78/04/1204357804.db2.gz JYTRGZXVZSDQCU-UHFFFAOYSA-N 0 3 306.475 3.351 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CSCCC ZINC001731288844 1204363233 /nfs/dbraw/zinc/36/32/33/1204363233.db2.gz SAUYGNSXCZXJPH-KBPBESRZSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccsc1 ZINC001731288356 1204363498 /nfs/dbraw/zinc/36/34/98/1204363498.db2.gz OMLOOTRVNHFJMK-GXTWGEPZSA-N 0 3 312.866 3.473 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CO[C@H](C)CC)CC1 ZINC001731384794 1204391098 /nfs/dbraw/zinc/39/10/98/1204391098.db2.gz UPPGELIJQFZTHP-MRXNPFEDSA-N 0 3 310.482 3.081 20 30 DGEDHN CC1(C(=O)NC[C@@H](NCC#Cc2ccccc2)C2CC2)CCCC1 ZINC001731402257 1204398797 /nfs/dbraw/zinc/39/87/97/1204398797.db2.gz OGMFYZICAIPTPR-LJQANCHMSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001731429120 1204410718 /nfs/dbraw/zinc/41/07/18/1204410718.db2.gz FRPFUVQQODUYNT-NXHRZFHOSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@H](NC/C=C/Cl)C2)CCCCC1 ZINC001731436768 1204412329 /nfs/dbraw/zinc/41/23/29/1204412329.db2.gz YNWUFNKWRWUYJT-VQCVXAJWSA-N 0 3 310.869 3.456 20 30 DGEDHN CC(C)(C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1CCC1 ZINC001731448817 1204415255 /nfs/dbraw/zinc/41/52/55/1204415255.db2.gz AACPXFLLMUCIPE-WGSAOQKQSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494612 1204432674 /nfs/dbraw/zinc/43/26/74/1204432674.db2.gz IYXHRARGPXSWNS-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001731494612 1204432677 /nfs/dbraw/zinc/43/26/77/1204432677.db2.gz IYXHRARGPXSWNS-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001731556692 1204460036 /nfs/dbraw/zinc/46/00/36/1204460036.db2.gz CGRUFCGCCUZDHM-SJORKVTESA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCCC(C)C)C1 ZINC001731560340 1204461527 /nfs/dbraw/zinc/46/15/27/1204461527.db2.gz VRGYBRBOTRKERF-ZWKOTPCHSA-N 0 3 306.494 3.443 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001731588722 1204474418 /nfs/dbraw/zinc/47/44/18/1204474418.db2.gz MCCMWCXPSXOGBF-UONOGXRCSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(F)c1 ZINC001731610718 1204481326 /nfs/dbraw/zinc/48/13/26/1204481326.db2.gz JFBDJPZNMDTJOC-CYBMUJFWSA-N 0 3 322.424 3.031 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001731611764 1204481857 /nfs/dbraw/zinc/48/18/57/1204481857.db2.gz QHDFZOPRHLFPBB-ZDUSSCGKSA-N 0 3 308.853 3.455 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2nc(C)sc2C)C1 ZINC001731669806 1204499656 /nfs/dbraw/zinc/49/96/56/1204499656.db2.gz WGPPHICPMUTAKZ-HNNXBMFYSA-N 0 3 321.490 3.054 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC001731709895 1204514667 /nfs/dbraw/zinc/51/46/67/1204514667.db2.gz ATLOIZSXJWJWNM-QGZVFWFLSA-N 0 3 324.468 3.298 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)Cc1ccccc1C ZINC001731739724 1204530679 /nfs/dbraw/zinc/53/06/79/1204530679.db2.gz FVNNYJFKRPBAOY-GOEBONIOSA-N 0 3 322.880 3.411 20 30 DGEDHN C=CCCC(=O)NCCN(CC)[C@@H]1CCc2c1cccc2F ZINC001731799965 1204568254 /nfs/dbraw/zinc/56/82/54/1204568254.db2.gz SKTCIBKPMSMHKF-QGZVFWFLSA-N 0 3 304.409 3.217 20 30 DGEDHN C=CCCC(=O)NCCN(CC)[C@H](C)c1ccc(F)c(F)c1 ZINC001731800184 1204568817 /nfs/dbraw/zinc/56/88/17/1204568817.db2.gz UYSJJMJTTMLVFB-CYBMUJFWSA-N 0 3 310.388 3.430 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC001731826825 1204588732 /nfs/dbraw/zinc/58/87/32/1204588732.db2.gz DWZVYUHXOODQKO-CQSZACIVSA-N 0 3 314.420 3.359 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001731873952 1204616899 /nfs/dbraw/zinc/61/68/99/1204616899.db2.gz UHDCOPYHKGIDPM-GOSISDBHSA-N 0 3 318.436 3.171 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1c(C)cc(C)cc1C)C1CC1 ZINC001731880998 1204620206 /nfs/dbraw/zinc/62/02/06/1204620206.db2.gz XGIHGCNJKFKCHP-UHFFFAOYSA-N 0 3 314.473 3.311 20 30 DGEDHN C=C(C)CN(CCNC(=O)C1(c2cccc(F)c2)CC1)C1CC1 ZINC001731883023 1204623305 /nfs/dbraw/zinc/62/33/05/1204623305.db2.gz YBRCBXCRAASKQT-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCCCC(=O)N(C)CCNCc1ccc(Cl)s1 ZINC001731949129 1204634078 /nfs/dbraw/zinc/63/40/78/1204634078.db2.gz VIDLRUXTUKQRCL-UHFFFAOYSA-N 0 3 300.855 3.306 20 30 DGEDHN CC[C@@H](CC(=O)N(C)CCNCc1ccc(C#N)s1)C(C)C ZINC001731975144 1204638634 /nfs/dbraw/zinc/63/86/34/1204638634.db2.gz VKEJGJCNIDXQLB-AWEZNQCLSA-N 0 3 321.490 3.240 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ccnc(C2CC2)c1)c1ccccc1 ZINC001732021235 1204652382 /nfs/dbraw/zinc/65/23/82/1204652382.db2.gz CRRDGMLIKWRYJQ-LJQANCHMSA-N 0 3 321.424 3.206 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC001732023062 1204652591 /nfs/dbraw/zinc/65/25/91/1204652591.db2.gz CFLLKEURUDCTKN-XUVXKRRUSA-N 0 3 320.436 3.423 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1nc(C)c(C)s1)c1ccccc1 ZINC001732027238 1204654262 /nfs/dbraw/zinc/65/42/62/1204654262.db2.gz RCMYEKYDCFUHJC-OAHLLOKOSA-N 0 3 315.442 3.007 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1ccc(CC)cc1)c1ccccc1 ZINC001732027705 1204654278 /nfs/dbraw/zinc/65/42/78/1204654278.db2.gz XVPFQLFBRSEZPU-FQEVSTJZSA-N 0 3 320.436 3.333 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc[nH]c2CCC)C1 ZINC001732038093 1204659997 /nfs/dbraw/zinc/65/99/97/1204659997.db2.gz CLBVRIFALBKXPW-MRXNPFEDSA-N 0 3 317.477 3.470 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001732077699 1204681598 /nfs/dbraw/zinc/68/15/98/1204681598.db2.gz POVNYCBHMNGLSD-QGZVFWFLSA-N 0 3 323.440 3.118 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001732084304 1204686872 /nfs/dbraw/zinc/68/68/72/1204686872.db2.gz VVNWIMRSSBJJKP-INIZCTEOSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCCC(=O)NCC1CN(Cc2ccc3ccccc3c2)C1 ZINC001732123450 1204703531 /nfs/dbraw/zinc/70/35/31/1204703531.db2.gz RXFZFDQUYRHOCV-UHFFFAOYSA-N 0 3 308.425 3.354 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCO1 ZINC001732141086 1204711699 /nfs/dbraw/zinc/71/16/99/1204711699.db2.gz MFBGTUBTMWYFHQ-OKZBNKHCSA-N 0 3 322.493 3.201 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCO1 ZINC001732141085 1204711992 /nfs/dbraw/zinc/71/19/92/1204711992.db2.gz MFBGTUBTMWYFHQ-BZSNNMDCSA-N 0 3 322.493 3.201 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccccc2n1 ZINC001732150551 1204714401 /nfs/dbraw/zinc/71/44/01/1204714401.db2.gz ZDKLIUIONCZKKZ-IRXDYDNUSA-N 0 3 321.424 3.100 20 30 DGEDHN CC[C@H](CNC(=O)CCC(C)C)NCC#Cc1ccc(F)cc1 ZINC001732191400 1204741258 /nfs/dbraw/zinc/74/12/58/1204741258.db2.gz IEYVYWAMICDDMA-GOSISDBHSA-N 0 3 318.436 3.098 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001732280717 1204778547 /nfs/dbraw/zinc/77/85/47/1204778547.db2.gz LWUGQIIJTODTJF-SBCUQWKCSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001732309368 1204786096 /nfs/dbraw/zinc/78/60/96/1204786096.db2.gz SLDDPDOKTJGOQW-JYJNAYRXSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cccnc1)C1CCCCC1 ZINC001732473700 1204862549 /nfs/dbraw/zinc/86/25/49/1204862549.db2.gz BQPDHNDUIXPHRK-SFHVURJKSA-N 0 3 315.461 3.203 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1ccccc1F)C(C)C ZINC001732565857 1204899000 /nfs/dbraw/zinc/89/90/00/1204899000.db2.gz OVLYZPQHEONONI-MRXNPFEDSA-N 0 3 306.425 3.268 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1cc(C)ns1)C(C)C ZINC001732568071 1204900225 /nfs/dbraw/zinc/90/02/25/1204900225.db2.gz BGPKZRAHMOEFEP-OAHLLOKOSA-N 0 3 323.506 3.284 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001732593527 1204915191 /nfs/dbraw/zinc/91/51/91/1204915191.db2.gz CLGBVOHVKNVGTH-DLBZAZTESA-N 0 3 320.864 3.410 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC001732597411 1204917429 /nfs/dbraw/zinc/91/74/29/1204917429.db2.gz IKVHSYIDHIFETD-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001732600015 1204918562 /nfs/dbraw/zinc/91/85/62/1204918562.db2.gz IAWJDFYYKCGXOL-QGZVFWFLSA-N 0 3 306.425 3.142 20 30 DGEDHN CCCCC(=O)N1CC[C@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001732600735 1204919053 /nfs/dbraw/zinc/91/90/53/1204919053.db2.gz SOGKKKOLPHIMSN-PMACEKPBSA-N 0 3 324.468 3.151 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C)nc1C(C)C ZINC001732716037 1204932703 /nfs/dbraw/zinc/93/27/03/1204932703.db2.gz QLAHMZSRXBFSGG-CQSZACIVSA-N 0 3 323.868 3.364 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cccc(Cl)c1 ZINC001732725861 1204934718 /nfs/dbraw/zinc/93/47/18/1204934718.db2.gz QTCJDCYOXFVHPS-LBPRGKRZSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001732729001 1204934882 /nfs/dbraw/zinc/93/48/82/1204934882.db2.gz PYAZCYMOABKSEZ-NWDGAFQWSA-N 0 3 300.855 3.089 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001732733195 1204935084 /nfs/dbraw/zinc/93/50/84/1204935084.db2.gz JVQASORVTDDDPN-OAHLLOKOSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCCCC1(C)C ZINC001732759073 1204939615 /nfs/dbraw/zinc/93/96/15/1204939615.db2.gz JGBORXDDSDDLTE-ZIAGYGMSSA-N 0 3 300.874 3.440 20 30 DGEDHN C#CCNCCN(CC)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001732811985 1204947080 /nfs/dbraw/zinc/94/70/80/1204947080.db2.gz HQRORPNKLKMQIP-UHFFFAOYSA-N 0 3 306.494 3.300 20 30 DGEDHN CCC(C)(C)CC(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001732855232 1204951745 /nfs/dbraw/zinc/95/17/45/1204951745.db2.gz IKGQJFBUYCVFOK-WAYWQWQTSA-N 0 3 313.445 3.147 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1cccc(Cl)c1 ZINC001732886020 1204954621 /nfs/dbraw/zinc/95/46/21/1204954621.db2.gz OIIIUTINFFNLOW-WAYWQWQTSA-N 0 3 306.837 3.314 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001732993276 1204976368 /nfs/dbraw/zinc/97/63/68/1204976368.db2.gz FNLRTLCSDVDNCW-KBPBESRZSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2cc3ccccc3o2)C1 ZINC001733011256 1204981104 /nfs/dbraw/zinc/98/11/04/1204981104.db2.gz RGTUWISEZRYFKJ-AWEZNQCLSA-N 0 3 312.413 3.383 20 30 DGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)/C=C\C(C)(C)C ZINC001733028571 1204987616 /nfs/dbraw/zinc/98/76/16/1204987616.db2.gz BLDQUADMOMAEPL-FJVVXJACSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733035803 1204992218 /nfs/dbraw/zinc/99/22/18/1204992218.db2.gz NPLALFAGDJYNIE-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN CC(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001733035430 1204992374 /nfs/dbraw/zinc/99/23/74/1204992374.db2.gz FEZVGUWQLFOAJT-OAHLLOKOSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001733041229 1204995915 /nfs/dbraw/zinc/99/59/15/1204995915.db2.gz DSNLCPUGOXYDDK-GFCCVEGCSA-N 0 3 301.434 3.006 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CC1CCCC1 ZINC001733056122 1205008788 /nfs/dbraw/zinc/00/87/88/1205008788.db2.gz GIGVTAJUFMKIBI-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2c1CCCC2 ZINC001733102615 1205023722 /nfs/dbraw/zinc/02/37/22/1205023722.db2.gz XGLFOSNWLVQEBI-UHFFFAOYSA-N 0 3 320.864 3.370 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001733139651 1205028958 /nfs/dbraw/zinc/02/89/58/1205028958.db2.gz ULEDHALCKMWUNN-UHFFFAOYSA-N 0 3 322.880 3.463 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cc(Cl)ccc1F)C1CC1 ZINC001733166112 1205032266 /nfs/dbraw/zinc/03/22/66/1205032266.db2.gz NBYNUNXAQFUUNF-INIZCTEOSA-N 0 3 324.827 3.430 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001733220966 1205051403 /nfs/dbraw/zinc/05/14/03/1205051403.db2.gz KWKUHHOOLBNTAS-UONOGXRCSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1F ZINC001733225101 1205055218 /nfs/dbraw/zinc/05/52/18/1205055218.db2.gz FSPMBRJAEMVQQV-LSDHHAIUSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CCN2CC[C@@H](C)F)CCCCC1 ZINC001733227566 1205056324 /nfs/dbraw/zinc/05/63/24/1205056324.db2.gz VNACNSAQFPQWRN-CVEARBPZSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001733227340 1205056908 /nfs/dbraw/zinc/05/69/08/1205056908.db2.gz XLUWUGHNUHCGEQ-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1ccc(CC)cc1 ZINC001733232936 1205061019 /nfs/dbraw/zinc/06/10/19/1205061019.db2.gz NGAOREQYPCYNKW-IBGZPJMESA-N 0 3 314.473 3.338 20 30 DGEDHN C#CCC1(C(=O)NC[C@H]2CCN2CCC(C)C)CCCCC1 ZINC001733234861 1205061743 /nfs/dbraw/zinc/06/17/43/1205061743.db2.gz XDJGEOKEJUUWLP-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001733254159 1205070117 /nfs/dbraw/zinc/07/01/17/1205070117.db2.gz RUYGEANCQLCLDP-MRXNPFEDSA-N 0 3 300.446 3.336 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CCC1 ZINC001733275005 1205077759 /nfs/dbraw/zinc/07/77/59/1205077759.db2.gz SDUWYOIVCULLNT-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)COCCCCCC ZINC001733276607 1205078850 /nfs/dbraw/zinc/07/88/50/1205078850.db2.gz WYRSXBJSADUBLW-MSOLQXFVSA-N 0 3 322.493 3.225 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CCC)C(C)C ZINC001733276242 1205079458 /nfs/dbraw/zinc/07/94/58/1205079458.db2.gz QJQBBNUXKQLXDL-FGTMMUONSA-N 0 3 304.478 3.147 20 30 DGEDHN CCCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC001733322759 1205096119 /nfs/dbraw/zinc/09/61/19/1205096119.db2.gz VKVRMRKUBUVQRL-CRAIPNDOSA-N 0 3 313.445 3.218 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001733404279 1205119455 /nfs/dbraw/zinc/11/94/55/1205119455.db2.gz AMUWTPWFTQGOPT-GOSISDBHSA-N 0 3 320.864 3.348 20 30 DGEDHN CCCC(=O)NC[C@@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC001733454153 1205139335 /nfs/dbraw/zinc/13/93/35/1205139335.db2.gz GMGUTOADOQLEND-LJQANCHMSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC2(C)CCCC2)C1 ZINC001733458004 1205141415 /nfs/dbraw/zinc/14/14/15/1205141415.db2.gz HVJLYINQSOTDQF-IBGZPJMESA-N 0 3 304.478 3.198 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001733463349 1205144062 /nfs/dbraw/zinc/14/40/62/1205144062.db2.gz UROSOJRRFCZSTI-ZBFHGGJFSA-N 0 3 314.420 3.216 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001733463347 1205144438 /nfs/dbraw/zinc/14/44/38/1205144438.db2.gz BTUAYKRAUVCHLA-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)ccc2F)C1 ZINC001733465420 1205146672 /nfs/dbraw/zinc/14/66/72/1205146672.db2.gz LRORJKIONRXXTI-SFHVURJKSA-N 0 3 304.409 3.152 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001733468643 1205147241 /nfs/dbraw/zinc/14/72/41/1205147241.db2.gz QMPKGOZOIRKWFF-SYYJFZTOSA-N 0 3 316.489 3.198 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001733467465 1205147713 /nfs/dbraw/zinc/14/77/13/1205147713.db2.gz GVBRYYNKJNDXDV-LADRWXRNSA-N 0 3 306.494 3.463 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1ccnc(C)c1)c1ccccc1CC ZINC001733519123 1205152766 /nfs/dbraw/zinc/15/27/66/1205152766.db2.gz UWDDLGQWVRVZFN-IBGZPJMESA-N 0 3 323.440 3.199 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@@H](C)NC/C(Cl)=C\Cl)C1 ZINC001733525141 1205154753 /nfs/dbraw/zinc/15/47/53/1205154753.db2.gz BEQNKOQQOWZTIT-ZZHYBKPNSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC001733532575 1205156014 /nfs/dbraw/zinc/15/60/14/1205156014.db2.gz ZQKOTLPBYZOSMB-HUUCEWRRSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CC=CCC1 ZINC001733570442 1205165303 /nfs/dbraw/zinc/16/53/03/1205165303.db2.gz ASUPPYOMVWXQQI-LJQANCHMSA-N 0 3 324.468 3.375 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC(F)(F)F ZINC001733600716 1205171753 /nfs/dbraw/zinc/17/17/53/1205171753.db2.gz NPRIPPCBQBJPAD-CHWSQXEVSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cccc(OC)c1 ZINC001733680404 1205182496 /nfs/dbraw/zinc/18/24/96/1205182496.db2.gz JIIVKJCDSZYMCD-UHFFFAOYSA-N 0 3 324.424 3.243 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)CC(C)C)C2)CC1 ZINC001733695422 1205188024 /nfs/dbraw/zinc/18/80/24/1205188024.db2.gz CQBZZKVYZZKRRU-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001733764534 1205202977 /nfs/dbraw/zinc/20/29/77/1205202977.db2.gz ULAKCDAVZPQZAH-MRXNPFEDSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001733764533 1205203083 /nfs/dbraw/zinc/20/30/83/1205203083.db2.gz ULAKCDAVZPQZAH-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CC#CC)CC2)CCCC1 ZINC001733765602 1205204612 /nfs/dbraw/zinc/20/46/12/1205204612.db2.gz CDZZBYWRFSTYJK-QGZVFWFLSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C(CC)(CC)c1ccccc1 ZINC001733780338 1205215965 /nfs/dbraw/zinc/21/59/65/1205215965.db2.gz ARVKUWSPSBTUOP-UHFFFAOYSA-N 0 3 314.473 3.158 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN(CC#CC)C1 ZINC001733783383 1205218229 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C=CCN(C)C[C@H]1CCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC001733932361 1205261987 /nfs/dbraw/zinc/26/19/87/1205261987.db2.gz NWBXUFNEZHCILX-MJICGBHWSA-N 0 3 316.420 3.338 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(CCC)cc1 ZINC001733934455 1205263046 /nfs/dbraw/zinc/26/30/46/1205263046.db2.gz YMCXCUGPUWFFBU-GOSISDBHSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(CCC)cc1 ZINC001733934456 1205263363 /nfs/dbraw/zinc/26/33/63/1205263363.db2.gz YMCXCUGPUWFFBU-SFHVURJKSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CCC(=O)NC1CC(CNCc2c(F)cccc2F)C1 ZINC001733949771 1205268899 /nfs/dbraw/zinc/26/88/99/1205268899.db2.gz SODTWCKBZVIZMG-UHFFFAOYSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001733957043 1205270525 /nfs/dbraw/zinc/27/05/25/1205270525.db2.gz SLUXJHLIYSIGRH-SLTAFYQDSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001733957620 1205270793 /nfs/dbraw/zinc/27/07/93/1205270793.db2.gz DDEYVKDOPHEDLL-VMBOVVBDSA-N 0 3 310.869 3.360 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001733963655 1205272356 /nfs/dbraw/zinc/27/23/56/1205272356.db2.gz PBILJLUOGNJMQN-KBPBESRZSA-N 0 3 319.424 3.260 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001734046669 1205302620 /nfs/dbraw/zinc/30/26/20/1205302620.db2.gz XHJJQNFXYTYEGO-OAHLLOKOSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccsc1C(F)(F)F ZINC001734059272 1205310251 /nfs/dbraw/zinc/31/02/51/1205310251.db2.gz NUWSCLSIMOGZSO-SECBINFHSA-N 0 3 306.353 3.003 20 30 DGEDHN C=CCCC(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001734089216 1205318703 /nfs/dbraw/zinc/31/87/03/1205318703.db2.gz YYWQOMGBOMFGNT-UHFFFAOYSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](CC)CC(F)F)C(C)(C)C1 ZINC001734146228 1205334174 /nfs/dbraw/zinc/33/41/74/1205334174.db2.gz PHBADRWLQNIIKV-CHWSQXEVSA-N 0 3 302.409 3.071 20 30 DGEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(C)cc2C)C(C)(C)C1 ZINC001734148992 1205335372 /nfs/dbraw/zinc/33/53/72/1205335372.db2.gz FYJCUOKBSIZBFS-SFHVURJKSA-N 0 3 314.473 3.249 20 30 DGEDHN CCCC(=O)NCC[C@@H](NCc1cc(F)ccc1C#N)C(C)C ZINC001734285305 1205355746 /nfs/dbraw/zinc/35/57/46/1205355746.db2.gz QWJATDYOSNJVAD-QGZVFWFLSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cncc(C)c2)C[C@@H]1C ZINC001734422501 1205375076 /nfs/dbraw/zinc/37/50/76/1205375076.db2.gz URFXPSGRGJQVQQ-RDJZCZTQSA-N 0 3 315.461 3.071 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)[C@H]1C ZINC001734459054 1205381310 /nfs/dbraw/zinc/38/13/10/1205381310.db2.gz NDEWUZDVJILZSZ-CHWSQXEVSA-N 0 3 318.383 3.264 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H](NC[C@H](F)CC)C(C)(C)C2)CC1 ZINC001734499301 1205387931 /nfs/dbraw/zinc/38/79/31/1205387931.db2.gz CLIYZONIJNFTNL-CVEARBPZSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2scnc2C)C(C)(C)C1 ZINC001734501110 1205387956 /nfs/dbraw/zinc/38/79/56/1205387956.db2.gz OLGANMZHEKPKTQ-HNNXBMFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN(C)CCN(C(=O)Cc1ccccc1Cl)C(C)C ZINC001734554253 1205392457 /nfs/dbraw/zinc/39/24/57/1205392457.db2.gz FRVZEWUSFVRADY-UHFFFAOYSA-N 0 3 308.853 3.237 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(CCC)CCC)CC1 ZINC001734578846 1205399357 /nfs/dbraw/zinc/39/93/57/1205399357.db2.gz LGAIMSPAFBXDTE-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001734587093 1205401250 /nfs/dbraw/zinc/40/12/50/1205401250.db2.gz FOOXXQYPOKIYIY-VTSXBNNFSA-N 0 3 324.468 3.330 20 30 DGEDHN C=C(C)CN[C@H]1CN(C(=O)CCC(C)C)CC[C@@H]1C(F)(F)F ZINC001734587974 1205401795 /nfs/dbraw/zinc/40/17/95/1205401795.db2.gz RHKCGZRLEZYYKA-KBPBESRZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC/C=C\c2ccccc2)CC1 ZINC001734633459 1205407546 /nfs/dbraw/zinc/40/75/46/1205407546.db2.gz RSPOFNNEHQXCNI-POHAHGRESA-N 0 3 310.441 3.414 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)c2cccc(Cl)c2)CC1 ZINC001734636919 1205408162 /nfs/dbraw/zinc/40/81/62/1205408162.db2.gz MKONURPHKWBEIO-CQSZACIVSA-N 0 3 318.848 3.378 20 30 DGEDHN C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)C(C)C ZINC001689117583 1200034881 /nfs/dbraw/zinc/03/48/81/1200034881.db2.gz FECSPSXTRIZCLG-UKRRQHHQSA-N 0 3 300.874 3.392 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001103443598 1094629683 /nfs/dbraw/zinc/62/96/83/1094629683.db2.gz BQALLELGMUDLBE-RAIGVLPGSA-N 0 3 322.827 3.104 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001480861874 1081590783 /nfs/dbraw/zinc/59/07/83/1081590783.db2.gz QHMMJRREJYHHOI-CQSZACIVSA-N 0 3 306.837 3.108 20 30 DGEDHN N#Cc1nccc2cc(N3CCCc4ccc(CN)nc43)ccc21 ZINC001169591160 1081599732 /nfs/dbraw/zinc/59/97/32/1081599732.db2.gz DGYUNFNHNJNRBE-UHFFFAOYSA-N 0 3 315.380 3.044 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2ccc(F)cc2s1 ZINC001266295510 1081640799 /nfs/dbraw/zinc/64/07/99/1081640799.db2.gz NTNXLRVVOUHPJM-UHFFFAOYSA-N 0 3 306.406 3.278 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001266306514 1081652623 /nfs/dbraw/zinc/65/26/23/1081652623.db2.gz VDSZDBJVVVLKHQ-UHFFFAOYSA-N 0 3 305.809 3.059 20 30 DGEDHN CC(C)(C)OC(=O)O[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC001208920354 1081667760 /nfs/dbraw/zinc/66/77/60/1081667760.db2.gz GQPHRTVNOVKSSQ-MRXNPFEDSA-N 0 3 316.401 3.127 20 30 DGEDHN CCC1(C(=O)NCCCNCc2ccccc2C#N)CCCC1 ZINC001169862115 1081667833 /nfs/dbraw/zinc/66/78/33/1081667833.db2.gz GCYIFNBCHLNMDO-UHFFFAOYSA-N 0 3 313.445 3.125 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001266336625 1081677577 /nfs/dbraw/zinc/67/75/77/1081677577.db2.gz SIMQCTWKISGTFS-OAHLLOKOSA-N 0 3 306.475 3.268 20 30 DGEDHN CC(C)(C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1)C1CC1 ZINC001209135337 1081691110 /nfs/dbraw/zinc/69/11/10/1081691110.db2.gz XDDPDVPEBYNDIH-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCCN(C)CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001266355003 1081696331 /nfs/dbraw/zinc/69/63/31/1081696331.db2.gz XJQXVXCVFWIZOO-UHFFFAOYSA-N 0 3 306.409 3.039 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001266371113 1081710775 /nfs/dbraw/zinc/71/07/75/1081710775.db2.gz SHEDHEVEDXTTPV-GJZGRUSLSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cccc(C)n2)CC1 ZINC001266384395 1081725779 /nfs/dbraw/zinc/72/57/79/1081725779.db2.gz GPTYTESKKGDDAK-UHFFFAOYSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccsc2C)CC1 ZINC001266390273 1081734586 /nfs/dbraw/zinc/73/45/86/1081734586.db2.gz QWCZHYFKWQEPEQ-UHFFFAOYSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209455703 1081757320 /nfs/dbraw/zinc/75/73/20/1081757320.db2.gz WJWKBRLPECMODT-IUODEOHRSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1cnc(C)s1)C1CC1 ZINC001266424854 1081784607 /nfs/dbraw/zinc/78/46/07/1081784607.db2.gz WULSTOJTZKMAIR-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCN1[C@H](C)c1cccc(OC)c1 ZINC001266450172 1081837940 /nfs/dbraw/zinc/83/79/40/1081837940.db2.gz JPNISNNZOMAGFU-WBVHZDCISA-N 0 3 316.445 3.303 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1Cc1cccc(C)c1 ZINC001266474108 1081877167 /nfs/dbraw/zinc/87/71/67/1081877167.db2.gz HSHYNZKGPIPUOT-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001109634060 1081889049 /nfs/dbraw/zinc/88/90/49/1081889049.db2.gz BEBUCIJTSGDSEI-MHORFTMASA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001266491271 1081891662 /nfs/dbraw/zinc/89/16/62/1081891662.db2.gz JHMGOZIUZGFKED-BMFAXAFESA-N 0 3 302.462 3.373 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001266496585 1081898500 /nfs/dbraw/zinc/89/85/00/1081898500.db2.gz RUMPNEJITPKQMW-NXHRZFHOSA-N 0 3 313.445 3.034 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C=C)CCCCC1)C2 ZINC001109830175 1081921115 /nfs/dbraw/zinc/92/11/15/1081921115.db2.gz OSUMTPNKPFNQKP-SQNIBIBYSA-N 0 3 314.473 3.258 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266525104 1081945777 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C#CCCN1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132505093 1082929186 /nfs/dbraw/zinc/92/91/86/1082929186.db2.gz OYPYRNFOIPVEAH-HZPDHXFCSA-N 0 3 306.494 3.441 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C2CC2)C2CC2)CC[C@@H]1C ZINC001132522940 1082936008 /nfs/dbraw/zinc/93/60/08/1082936008.db2.gz VGXIBOHFTGLKSX-WMLDXEAASA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C2CC2)C2CC2)CC[C@H]1C ZINC001132522939 1082936346 /nfs/dbraw/zinc/93/63/46/1082936346.db2.gz VGXIBOHFTGLKSX-RHSMWYFYSA-N 0 3 304.478 3.358 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C(F)=C3CCCC3)C(C)(C)[C@H]21 ZINC001087281824 1082938124 /nfs/dbraw/zinc/93/81/24/1082938124.db2.gz MURKYQODRBWDML-OIISXLGYSA-N 0 3 318.436 3.022 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCOCC)C2)CCCC1 ZINC001132546529 1082938862 /nfs/dbraw/zinc/93/88/62/1082938862.db2.gz NGSGMONCBDERKT-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C3CC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087284736 1082944946 /nfs/dbraw/zinc/94/49/46/1082944946.db2.gz NBXRKNOAURFPSQ-IKGGRYGDSA-N 0 3 316.489 3.051 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](OC)C2CCCC2)C1 ZINC001267489146 1082945709 /nfs/dbraw/zinc/94/57/09/1082945709.db2.gz VKKVDSAWHHUSMD-QZTJIDSGSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3=CCCCCC3)C(C)(C)[C@@H]21 ZINC001087285121 1082946705 /nfs/dbraw/zinc/94/67/05/1082946705.db2.gz SSHCUNIFESUAFZ-KZNAEPCWSA-N 0 3 314.473 3.115 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001267496046 1082953947 /nfs/dbraw/zinc/95/39/47/1082953947.db2.gz KVSKJQXHKCKNRN-BTRQGYIVSA-N 0 3 316.489 3.149 20 30 DGEDHN CCCC(=O)NCCCN(Cc1ccc(C#N)cc1F)C(C)C ZINC001267497507 1082955304 /nfs/dbraw/zinc/95/53/04/1082955304.db2.gz UXOWNQVXXULLIM-UHFFFAOYSA-N 0 3 319.424 3.214 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001132652991 1082972739 /nfs/dbraw/zinc/97/27/39/1082972739.db2.gz BHBHFKXMMARIQL-SJCJKPOMSA-N 0 3 322.399 3.260 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC001267518744 1082978683 /nfs/dbraw/zinc/97/86/83/1082978683.db2.gz CEXFQNVPUJWYKN-PMACEKPBSA-N 0 3 320.436 3.350 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](C)[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001132696229 1082983326 /nfs/dbraw/zinc/98/33/26/1082983326.db2.gz ICZLZZGVXCYFGO-WKJNPJQJSA-N 0 3 319.276 3.346 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H](C)CC3)C(C)(C)[C@H]21 ZINC001087314686 1082986654 /nfs/dbraw/zinc/98/66/54/1082986654.db2.gz PDDNIDMCIMFPSB-ZKXLYKBJSA-N 0 3 316.489 3.051 20 30 DGEDHN C=CCN[C@H](CNC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001267525185 1082987735 /nfs/dbraw/zinc/98/77/35/1082987735.db2.gz AYVULVCOHCDTQW-HXUWFJFHSA-N 0 3 318.420 3.061 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1ncoc1C(C)C)c1ccccc1 ZINC001267526463 1082989202 /nfs/dbraw/zinc/98/92/02/1082989202.db2.gz UPHPMQLPGXRBMU-OAHLLOKOSA-N 0 3 313.401 3.045 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nccs2)C1 ZINC001132865624 1083010351 /nfs/dbraw/zinc/01/03/51/1083010351.db2.gz PPIHTKLFOABHCN-CABCVRRESA-N 0 3 321.490 3.074 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2cscn2)C1 ZINC001133074115 1083041127 /nfs/dbraw/zinc/04/11/27/1083041127.db2.gz YDUREMRJHWMXLF-GJZGRUSLSA-N 0 3 321.490 3.074 20 30 DGEDHN CCCc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001133089963 1083045509 /nfs/dbraw/zinc/04/55/09/1083045509.db2.gz YLBGYRZCJBAHDH-UHFFFAOYSA-N 0 3 321.424 3.030 20 30 DGEDHN C=CCCCC(=O)NCCNCc1ccccc1C(F)(F)F ZINC001133143277 1083059619 /nfs/dbraw/zinc/05/96/19/1083059619.db2.gz TWHJJHWBAZROKT-UHFFFAOYSA-N 0 3 314.351 3.268 20 30 DGEDHN C=CCCCC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001133154127 1083061627 /nfs/dbraw/zinc/06/16/27/1083061627.db2.gz CKBHXASJLVYUCR-UHFFFAOYSA-N 0 3 303.450 3.076 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1cccc(C#N)c1 ZINC001480991700 1083064787 /nfs/dbraw/zinc/06/47/87/1083064787.db2.gz HKFPVBIVYWRXGR-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(C#N)c(Cl)cn1 ZINC001170679747 1083105290 /nfs/dbraw/zinc/10/52/90/1083105290.db2.gz VFTFYUQLZYSLQE-NSHDSACASA-N 0 3 323.787 3.479 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H](CN(C)C[C@@H](F)CC)C2)CC1 ZINC001267587610 1083107260 /nfs/dbraw/zinc/10/72/60/1083107260.db2.gz BCMRVZDCSPFMHW-RDJZCZTQSA-N 0 3 310.457 3.261 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H](CN(C)C[C@H](F)CC)C2)CC1 ZINC001267587608 1083107623 /nfs/dbraw/zinc/10/76/23/1083107623.db2.gz BCMRVZDCSPFMHW-NVXWUHKLSA-N 0 3 310.457 3.261 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2cc3ccccc3o2)CCC1 ZINC001133392172 1083114715 /nfs/dbraw/zinc/11/47/15/1083114715.db2.gz KKIQPKSREWTTSR-UHFFFAOYSA-N 0 3 312.413 3.385 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2ccc(F)c(Cl)c2)CCC1 ZINC001133392495 1083114722 /nfs/dbraw/zinc/11/47/22/1083114722.db2.gz ZRUTUSOAJCGVGZ-UHFFFAOYSA-N 0 3 324.827 3.431 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001481060700 1083142456 /nfs/dbraw/zinc/14/24/56/1083142456.db2.gz WSRBWKXJOJNOEB-GDBMZVCRSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1coc2ccccc12 ZINC001481064961 1083145481 /nfs/dbraw/zinc/14/54/81/1083145481.db2.gz NTQRMAPUSNILMK-INIZCTEOSA-N 0 3 312.413 3.132 20 30 DGEDHN C=C1CC(C)(C(=O)NCCNCc2ccc(F)c(Cl)c2)C1 ZINC001133570019 1083153078 /nfs/dbraw/zinc/15/30/78/1083153078.db2.gz IVHWSNMRYKRVBJ-UHFFFAOYSA-N 0 3 310.800 3.041 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)c2ccco2)C[C@H]1C ZINC001104669706 1083181215 /nfs/dbraw/zinc/18/12/15/1083181215.db2.gz VPLXAZNJXDVBBO-BPLDGKMQSA-N 0 3 324.852 3.210 20 30 DGEDHN CCC(CC)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133767894 1083193702 /nfs/dbraw/zinc/19/37/02/1083193702.db2.gz BLZQDUACPYMDFE-CABCVRRESA-N 0 3 315.461 3.367 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2[nH]ccc2C2CC2)C1 ZINC001086714560 1083211751 /nfs/dbraw/zinc/21/17/51/1083211751.db2.gz JHOQSPLNWLRXOY-GXTWGEPZSA-N 0 3 321.852 3.133 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc2ccsc21 ZINC001481150656 1083213045 /nfs/dbraw/zinc/21/30/45/1083213045.db2.gz USLRWSUALHCQNG-UHFFFAOYSA-N 0 3 314.454 3.366 20 30 DGEDHN C[C@@H](C#N)C(=O)NCCN([C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC001493357040 1083220920 /nfs/dbraw/zinc/22/09/20/1083220920.db2.gz MVURYXOMZGRYPY-STQMWFEESA-N 0 3 319.836 3.141 20 30 DGEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001267620431 1083221489 /nfs/dbraw/zinc/22/14/89/1083221489.db2.gz AKQLFWRMMYDYSJ-ZIAGYGMSSA-N 0 3 321.490 3.254 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2sccc2s1)C1CC1 ZINC001481173300 1083224463 /nfs/dbraw/zinc/22/44/63/1083224463.db2.gz HTYCIGLIQKVEQG-UHFFFAOYSA-N 0 3 306.456 3.343 20 30 DGEDHN C[C@@H](C[C@H](C)NC(=O)CC1CCC1)NCc1ccccc1C#N ZINC001134026710 1083229206 /nfs/dbraw/zinc/22/92/06/1083229206.db2.gz RZDYLCWBLWLCLM-GJZGRUSLSA-N 0 3 313.445 3.121 20 30 DGEDHN CC(C)=C(F)C(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134081602 1083238591 /nfs/dbraw/zinc/23/85/91/1083238591.db2.gz IQACXTKTKWHURF-KBPBESRZSA-N 0 3 317.408 3.195 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001134118916 1083244964 /nfs/dbraw/zinc/24/49/64/1083244964.db2.gz JDSZPJANLIXDBW-OFLZDLGMSA-N 0 3 319.276 3.372 20 30 DGEDHN Cc1ccc(C)c([C@@H](C)N2CC(CNC(=O)C#CC(C)C)C2)c1 ZINC001267680820 1083261313 /nfs/dbraw/zinc/26/13/13/1083261313.db2.gz YOQLJWXEZAVGRK-QGZVFWFLSA-N 0 3 312.457 3.072 20 30 DGEDHN C=CCC(CC=C)C(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001267682885 1083261731 /nfs/dbraw/zinc/26/17/31/1083261731.db2.gz DEJDOBRYPOXTIF-HXUWFJFHSA-N 0 3 324.468 3.490 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001267711785 1083277161 /nfs/dbraw/zinc/27/71/61/1083277161.db2.gz FGJRRAJGWNHNEK-HOTGVXAUSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccs1 ZINC001134418420 1083286753 /nfs/dbraw/zinc/28/67/53/1083286753.db2.gz KFUYAHVLBLOODA-KBPBESRZSA-N 0 3 321.490 3.284 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134470166 1083294259 /nfs/dbraw/zinc/29/42/59/1083294259.db2.gz NWWIMVWFSOMWSA-OLZOCXBDSA-N 0 3 309.479 3.181 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134454338 1083295431 /nfs/dbraw/zinc/29/54/31/1083295431.db2.gz VJJFHJGGYYZVNZ-STQMWFEESA-N 0 3 323.506 3.427 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001267740704 1083305762 /nfs/dbraw/zinc/30/57/62/1083305762.db2.gz QPHXLFRCAHLILT-QGZVFWFLSA-N 0 3 318.486 3.065 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1C ZINC001104843749 1083316986 /nfs/dbraw/zinc/31/69/86/1083316986.db2.gz ZRBPFDXUAAJYHP-IIAWOOMASA-N 0 3 314.901 3.495 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001267767522 1083330588 /nfs/dbraw/zinc/33/05/88/1083330588.db2.gz HHWRLZRNQRJMLL-KRWDZBQOSA-N 0 3 318.436 3.401 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001267789871 1083348795 /nfs/dbraw/zinc/34/87/95/1083348795.db2.gz INOGDRHXIAVKFD-OAHLLOKOSA-N 0 3 324.827 3.130 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)C)NCC#Cc1ccccc1Cl ZINC001267794510 1083351427 /nfs/dbraw/zinc/35/14/27/1083351427.db2.gz WWVYMDICHSDDBZ-INIZCTEOSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)NCc1cccc(Cl)c1F ZINC001267797066 1083353427 /nfs/dbraw/zinc/35/34/27/1083353427.db2.gz BBXFVJQDJRLQQD-ZDUSSCGKSA-N 0 3 312.816 3.430 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001267833341 1083409832 /nfs/dbraw/zinc/40/98/32/1083409832.db2.gz XHEMGIYOYCNWOM-HNNXBMFYSA-N 0 3 316.445 3.379 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001267953652 1083642789 /nfs/dbraw/zinc/64/27/89/1083642789.db2.gz BYJAMMXNCWPBLR-PKOBYXMFSA-N 0 3 312.457 3.055 20 30 DGEDHN CCCC[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182276990 1083663831 /nfs/dbraw/zinc/66/38/31/1083663831.db2.gz CMYAKOWUOOKJEP-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001267966980 1083666463 /nfs/dbraw/zinc/66/64/63/1083666463.db2.gz UZWADQHNBRISNF-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001267987148 1083702004 /nfs/dbraw/zinc/70/20/04/1083702004.db2.gz ACFSVDUWOKUADT-LAPSENCUSA-N 0 3 307.265 3.250 20 30 DGEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCCC)C2 ZINC001110313789 1083731900 /nfs/dbraw/zinc/73/19/00/1083731900.db2.gz UFPZQGVFYIPDRE-TVFCKZIOSA-N 0 3 322.493 3.127 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151259518 1083777989 /nfs/dbraw/zinc/77/79/89/1083777989.db2.gz SXXILGSSEXWFKU-IAGOWNOFSA-N 0 3 322.493 3.008 20 30 DGEDHN C/C=C(/C)C(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001481347088 1083797773 /nfs/dbraw/zinc/79/77/73/1083797773.db2.gz KDRPPUSOTLQMKN-DVZOWYKESA-N 0 3 312.457 3.221 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccc(F)c1C)c1ccccc1 ZINC001481366186 1083826354 /nfs/dbraw/zinc/82/63/54/1083826354.db2.gz CLUGMDXWZHNTOO-SFHVURJKSA-N 0 3 312.388 3.381 20 30 DGEDHN C=CCCCC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001268037378 1083933079 /nfs/dbraw/zinc/93/30/79/1083933079.db2.gz IBKJAUGLSIXYMS-UHFFFAOYSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC2 ZINC001268046562 1083997107 /nfs/dbraw/zinc/99/71/07/1083997107.db2.gz FGDYQDNVHPJVEM-KRWDZBQOSA-N 0 3 318.505 3.397 20 30 DGEDHN CCCCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001268047892 1084014306 /nfs/dbraw/zinc/01/43/06/1084014306.db2.gz BEILLEORKQROFZ-KRWDZBQOSA-N 0 3 300.446 3.055 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001167806044 1084041834 /nfs/dbraw/zinc/04/18/34/1084041834.db2.gz ANWNROXPCQLSHB-CTYIDZIISA-N 0 3 312.885 3.441 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001268055914 1084051121 /nfs/dbraw/zinc/05/11/21/1084051121.db2.gz QGGAGNRUMGMXLX-KGLIPLIRSA-N 0 3 319.424 3.070 20 30 DGEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC001481523913 1084068426 /nfs/dbraw/zinc/06/84/26/1084068426.db2.gz ANUWKNIUSHVALD-DNVCBOLYSA-N 0 3 321.424 3.080 20 30 DGEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H](CC)CCC)CC1 ZINC001151374239 1084083641 /nfs/dbraw/zinc/08/36/41/1084083641.db2.gz 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CC#CCNCc1ccc(CNC(=O)c2cccc(C)c2F)cc1 ZINC001482031105 1084779916 /nfs/dbraw/zinc/77/99/16/1084779916.db2.gz ABMVWXHGRQGFPX-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C=C(C)CCC(=O)NCc1ccc(CNCc2cccnc2)cc1 ZINC001482031568 1084781926 /nfs/dbraw/zinc/78/19/26/1084781926.db2.gz RRZVYVPFFOQELG-UHFFFAOYSA-N 0 3 323.440 3.344 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001482031856 1084782654 /nfs/dbraw/zinc/78/26/54/1084782654.db2.gz CWBRSYWNAJGHFK-OWZKRDHZSA-N 0 3 324.468 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(CF)cc2)cc1 ZINC001482036769 1084790762 /nfs/dbraw/zinc/79/07/62/1084790762.db2.gz ZZVSTIMSQRALBU-UHFFFAOYSA-N 0 3 324.399 3.199 20 30 DGEDHN CC(C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1)=C1CCC1 ZINC001482056240 1084806856 /nfs/dbraw/zinc/80/68/56/1084806856.db2.gz KEEASTGRNDANHU-HXUWFJFHSA-N 0 3 322.452 3.119 20 30 DGEDHN C=CCC1(C(=O)NC/C=C\CNCCC(F)(F)F)CCCC1 ZINC001268634307 1084904301 /nfs/dbraw/zinc/90/43/01/1084904301.db2.gz WNYMJUICBISKLN-WAYWQWQTSA-N 0 3 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C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001270632459 1085905574 /nfs/dbraw/zinc/90/55/74/1085905574.db2.gz KQRFBWHUWIQPSZ-KRWDZBQOSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001105391983 1086163347 /nfs/dbraw/zinc/16/33/47/1086163347.db2.gz QFAWFTLYSDDIIN-APWZRJJASA-N 0 3 316.489 3.149 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001270948089 1086209745 /nfs/dbraw/zinc/20/97/45/1086209745.db2.gz OVIWXJOMQCUAOK-ZIAGYGMSSA-N 0 3 319.424 3.070 20 30 DGEDHN CC[C@@H](C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001270948720 1086209965 /nfs/dbraw/zinc/20/99/65/1086209965.db2.gz WGQHSEYXURJJCE-CVEARBPZSA-N 0 3 318.436 3.050 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001270992875 1086236347 /nfs/dbraw/zinc/23/63/47/1086236347.db2.gz XBAZJOJVIJELLR-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001270992872 1086236947 /nfs/dbraw/zinc/23/69/47/1086236947.db2.gz XBAZJOJVIJELLR-FQEVSTJZSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccsc2C)C1 ZINC001271000038 1086240916 /nfs/dbraw/zinc/24/09/16/1086240916.db2.gz SMZDCQHFHDFXJN-KRWDZBQOSA-N 0 3 306.475 3.003 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001271006998 1086245061 /nfs/dbraw/zinc/24/50/61/1086245061.db2.gz GPUYDQHVARZEIF-MJGOQNOKSA-N 0 3 306.494 3.300 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001271006997 1086245264 /nfs/dbraw/zinc/24/52/64/1086245264.db2.gz GPUYDQHVARZEIF-IEBWSBKVSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc3ccccc3n2)C1 ZINC001271008334 1086247552 /nfs/dbraw/zinc/24/75/52/1086247552.db2.gz VQVGWCUMHGOVJK-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001271083256 1086279884 /nfs/dbraw/zinc/27/98/84/1086279884.db2.gz PDOSISRFXRXRHG-ZDUSSCGKSA-N 0 3 310.388 3.258 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1CC ZINC001087570253 1086310055 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C=C(C)CN1CC[C@H](NC(=O)c2c(C)cccc2F)[C@H]1CC ZINC001087849377 1086447885 /nfs/dbraw/zinc/44/78/85/1086447885.db2.gz WEWVPDUBUREUFW-JKSUJKDBSA-N 0 3 304.409 3.293 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)CC3CCCC3)C[C@@H]2C1 ZINC001088128515 1086616657 /nfs/dbraw/zinc/61/66/57/1086616657.db2.gz TUXGSQHLYITMNE-QRQLOZEOSA-N 0 3 316.489 3.006 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1CC ZINC001271448205 1086642213 /nfs/dbraw/zinc/64/22/13/1086642213.db2.gz WBXZYMXYILEBCI-MSOLQXFVSA-N 0 3 312.457 3.065 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)CC3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001088224154 1086659134 /nfs/dbraw/zinc/65/91/34/1086659134.db2.gz MGKRHBLXYPWRGU-MSOLQXFVSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001271503792 1086671177 /nfs/dbraw/zinc/67/11/77/1086671177.db2.gz CJYNDRNNIPLGMX-AWEZNQCLSA-N 0 3 309.841 3.050 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccccc2O)C1 ZINC001088266582 1086743557 /nfs/dbraw/zinc/74/35/57/1086743557.db2.gz 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318.804 3.113 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccccc1CC(C)(C)C ZINC001483021640 1087238606 /nfs/dbraw/zinc/23/86/06/1087238606.db2.gz AIYSPKHHUAMZDK-KTKRTIGZSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCC1(C(=O)NC/C=C/CNCc2cccc(F)c2)CCC1 ZINC001483058960 1087311509 /nfs/dbraw/zinc/31/15/09/1087311509.db2.gz YEEXSXMWFCHINP-ONEGZZNKSA-N 0 3 316.420 3.334 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)[C@H]1C ZINC001088745227 1087328119 /nfs/dbraw/zinc/32/81/19/1087328119.db2.gz PYBJGWWWLMUZRQ-AYOQOUSVSA-N 0 3 312.457 3.335 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(Cl)cc2C)[C@H]1C ZINC001088789259 1087354957 /nfs/dbraw/zinc/35/49/57/1087354957.db2.gz DLVJRSMTKLSEPJ-PBHICJAKSA-N 0 3 318.848 3.173 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(CC)CC)C[C@@H](C)O2 ZINC001098660703 1087393839 /nfs/dbraw/zinc/39/38/39/1087393839.db2.gz WWLJSFJFRRYXEB-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)=C2CCC2)C1 ZINC001102965520 1087449395 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ZINC001120612763 1087599044 /nfs/dbraw/zinc/59/90/44/1087599044.db2.gz VDFZIBSQMARCHZ-QGZVFWFLSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2F)[C@H]1C ZINC001088928436 1087605810 /nfs/dbraw/zinc/60/58/10/1087605810.db2.gz KZEMBRPQNBCZMY-VBQJREDUSA-N 0 3 304.409 3.084 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@@H](C)CC)[C@H](OC)C1 ZINC001212191559 1087606672 /nfs/dbraw/zinc/60/66/72/1087606672.db2.gz KVNJCCKKXWQATF-GVDBMIGSSA-N 0 3 312.498 3.208 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc(C2CCC2)cc1 ZINC001483668926 1087616801 /nfs/dbraw/zinc/61/68/01/1087616801.db2.gz MXPSBHYCSFJXGY-IBGZPJMESA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cnc(C3CC3)s2)[C@H]1C ZINC001088996072 1087617092 /nfs/dbraw/zinc/61/70/92/1087617092.db2.gz ZAJGJDGXYQPAIF-OCCSQVGLSA-N 0 3 319.474 3.179 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2OC(C)C)[C@H]1C ZINC001088995919 1087617329 /nfs/dbraw/zinc/61/73/29/1087617329.db2.gz QWBHIZHNXZJNIO-WBVHZDCISA-N 0 3 316.445 3.243 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)[C@H]1C ZINC001088998603 1087617637 /nfs/dbraw/zinc/61/76/37/1087617637.db2.gz DZSKRRMDPWHZEY-QAPCUYQASA-N 0 3 312.457 3.200 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)[C@H]1C ZINC001089050724 1087627678 /nfs/dbraw/zinc/62/76/78/1087627678.db2.gz OMBSSLQFQCIYAO-XNJGSVPQSA-N 0 3 322.399 3.223 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCC(C)(C)CN1CCOC ZINC001099092258 1087628536 /nfs/dbraw/zinc/62/85/36/1087628536.db2.gz AGMJKIPDVWIWKL-QGZVFWFLSA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)[C@H]1C ZINC001089080979 1087632844 /nfs/dbraw/zinc/63/28/44/1087632844.db2.gz VKXGOIBYDHIKKY-WBMJQRKESA-N 0 3 315.392 3.076 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)(F)F)cc2)[C@H]1C ZINC001089094941 1087636855 /nfs/dbraw/zinc/63/68/55/1087636855.db2.gz HSIXKHDPIMTCTE-CJNGLKHVSA-N 0 3 320.383 3.014 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001483679517 1087639005 /nfs/dbraw/zinc/63/90/05/1087639005.db2.gz KCSAKTQLPXNNBH-JSGCOSHPSA-N 0 3 319.474 3.179 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001483706025 1087682425 /nfs/dbraw/zinc/68/24/25/1087682425.db2.gz LGYJTIKGVUMXEM-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001483708208 1087682960 /nfs/dbraw/zinc/68/29/60/1087682960.db2.gz UYVFKGDSMRUVHA-CQSZACIVSA-N 0 3 315.392 3.077 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2cccc(C(C)(C)C)c2)C1=O ZINC001272371957 1087685893 /nfs/dbraw/zinc/68/58/93/1087685893.db2.gz NODZUZRPAFKRIY-NRFANRHFSA-N 0 3 324.468 3.184 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001121852693 1087719077 /nfs/dbraw/zinc/71/90/77/1087719077.db2.gz ZWRJZLRENCUYKM-CQSZACIVSA-N 0 3 314.351 3.347 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2ccc(C3CCC3)cc2)CC1 ZINC001483733279 1087725042 /nfs/dbraw/zinc/72/50/42/1087725042.db2.gz QYIXAINIFUICQH-UHFFFAOYSA-N 0 3 324.468 3.352 20 30 DGEDHN CCCCCCCC[C@H](C)C(=O)NCCNCc1cnn(C)c1 ZINC001151848837 1087796221 /nfs/dbraw/zinc/79/62/21/1087796221.db2.gz SOPWCDAGXZAHRN-INIZCTEOSA-N 0 3 322.497 3.013 20 30 DGEDHN CCCCC[C@H](CC)C(=O)NCCNCc1cccc(C#N)c1 ZINC001151890539 1087811215 /nfs/dbraw/zinc/81/12/15/1087811215.db2.gz MBMCSMRAYKEXJR-SFHVURJKSA-N 0 3 315.461 3.371 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccccc1CC ZINC001158404837 1087814998 /nfs/dbraw/zinc/81/49/98/1087814998.db2.gz IPSWROPEKFQEGE-QGZVFWFLSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)CCOCCCC ZINC001158427290 1087828578 /nfs/dbraw/zinc/82/85/78/1087828578.db2.gz YUINHGAFKTYXGN-GOSISDBHSA-N 0 3 324.509 3.472 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cc(C)ccc1C ZINC001158438596 1087835250 /nfs/dbraw/zinc/83/52/50/1087835250.db2.gz ZBAUXLQPEORNGQ-LJQANCHMSA-N 0 3 314.473 3.345 20 30 DGEDHN CN1CCC(N(c2ccc(Cl)c(C#N)n2)C2CCCC2)CC1 ZINC001158485841 1087859342 /nfs/dbraw/zinc/85/93/42/1087859342.db2.gz WLKPVZKXKDYGBB-UHFFFAOYSA-N 0 3 318.852 3.450 20 30 DGEDHN CN1CCC(N(c2ccc3c(C#N)c[nH]c3n2)C2CCCC2)CC1 ZINC001158488045 1087859998 /nfs/dbraw/zinc/85/99/98/1087859998.db2.gz VAGAFZTZQUFHIC-UHFFFAOYSA-N 0 3 323.444 3.278 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CCCC(C)C ZINC001158518213 1087886223 /nfs/dbraw/zinc/88/62/23/1087886223.db2.gz DONKXCULUKDGPN-GOSISDBHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000176532672 1087892322 /nfs/dbraw/zinc/89/23/22/1087892322.db2.gz GSZSYYYQULTBTQ-ZDUSSCGKSA-N 0 3 300.358 3.089 20 30 DGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000176532685 1087893417 /nfs/dbraw/zinc/89/34/17/1087893417.db2.gz GSZSYYYQULTBTQ-CYBMUJFWSA-N 0 3 300.358 3.089 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(Cl)c1C ZINC001158578758 1087920543 /nfs/dbraw/zinc/92/05/43/1087920543.db2.gz PQWFKOSSVCOAQH-UHFFFAOYSA-N 0 3 301.217 3.110 20 30 DGEDHN C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089319054 1087947519 /nfs/dbraw/zinc/94/75/19/1087947519.db2.gz WFYZOGZMRATEER-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089319054 1087947533 /nfs/dbraw/zinc/94/75/33/1087947533.db2.gz WFYZOGZMRATEER-OAHLLOKOSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CCC(C)(C)C ZINC001158631385 1087951740 /nfs/dbraw/zinc/95/17/40/1087951740.db2.gz NXRJIWPTMKBGTO-QGZVFWFLSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1ccc(C)o1)CC2 ZINC001272587208 1087967054 /nfs/dbraw/zinc/96/70/54/1087967054.db2.gz KUGHHDBIKRCFND-UHFFFAOYSA-N 0 3 316.445 3.369 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](CC)CC(F)(F)F ZINC001158751530 1088006354 /nfs/dbraw/zinc/00/63/54/1088006354.db2.gz WLGNFNIHUWRDAL-ZIAGYGMSSA-N 0 3 320.399 3.464 20 30 DGEDHN CCCC[C@@H](C(=O)NCCNCc1ccc(C#N)s1)C(C)C ZINC001152644986 1088032432 /nfs/dbraw/zinc/03/24/32/1088032432.db2.gz BNGDNDGVEGWFEA-MRXNPFEDSA-N 0 3 321.490 3.288 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)C=C2CCCCC2)C[C@H]1C(F)(F)F ZINC001099221834 1088070188 /nfs/dbraw/zinc/07/01/88/1088070188.db2.gz SCPARBJNWNOTDF-ZIAGYGMSSA-N 0 3 316.367 3.042 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC1CCC(OC)CC1 ZINC001158961926 1088115223 /nfs/dbraw/zinc/11/52/23/1088115223.db2.gz CDZLVZYPYKSGFK-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001159040051 1088154958 /nfs/dbraw/zinc/15/49/58/1088154958.db2.gz FOIYUKSSZRGFLZ-CYBMUJFWSA-N 0 3 310.388 3.478 20 30 DGEDHN CCN(Cc1cccc(Cl)c1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233025 1088191635 /nfs/dbraw/zinc/19/16/35/1088191635.db2.gz SYHVDWBQYLQNER-CQSZACIVSA-N 0 3 318.848 3.080 20 30 DGEDHN N#Cc1cc(Cc2ccccc2)sc1Nc1ccncc1CN ZINC001159130669 1088191890 /nfs/dbraw/zinc/19/18/90/1088191890.db2.gz ZQGMELXPADNPEH-UHFFFAOYSA-N 0 3 320.421 3.230 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1coc2ccc(CC)cc21 ZINC001153368401 1088234564 /nfs/dbraw/zinc/23/45/64/1088234564.db2.gz MQWUADIYWIFBAW-CQSZACIVSA-N 0 3 312.413 3.069 20 30 DGEDHN C=CCCC[N@H+]1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001159324711 1088292938 /nfs/dbraw/zinc/29/29/38/1088292938.db2.gz ACFJTOUGFFPGKK-UHFFFAOYSA-N 0 3 314.429 3.110 20 30 DGEDHN C=CCCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001159324711 1088292952 /nfs/dbraw/zinc/29/29/52/1088292952.db2.gz ACFJTOUGFFPGKK-UHFFFAOYSA-N 0 3 314.429 3.110 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001099245193 1088309276 /nfs/dbraw/zinc/30/92/76/1088309276.db2.gz IEKHWVJZLHEXRV-GFCCVEGCSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2csc3ccccc23)C1=O ZINC001272623226 1088332069 /nfs/dbraw/zinc/33/20/69/1088332069.db2.gz XYWAGMWFZHUGLF-LJQANCHMSA-N 0 3 324.449 3.101 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(F)c2ccccc2c1 ZINC001153764939 1088350907 /nfs/dbraw/zinc/35/09/07/1088350907.db2.gz KNAORLOSNPHUQX-CQSZACIVSA-N 0 3 312.388 3.052 20 30 DGEDHN C=CCC[C@H](C(=O)NCCNC[C@H](F)CC)c1ccccc1 ZINC001153824698 1088373217 /nfs/dbraw/zinc/37/32/17/1088373217.db2.gz LFKJOGLGESQPKZ-SJORKVTESA-N 0 3 306.425 3.190 20 30 DGEDHN C=CCC[C@H](C(=O)NCCNC/C=C\Cl)c1ccccc1 ZINC001153825244 1088374760 /nfs/dbraw/zinc/37/47/60/1088374760.db2.gz ZUPZMPYLTBVLJH-UBAGTECSSA-N 0 3 306.837 3.195 20 30 DGEDHN C=CCC[C@@H](C(=O)NCCNC[C@H](F)CC)c1ccccc1 ZINC001153824696 1088375151 /nfs/dbraw/zinc/37/51/51/1088375151.db2.gz LFKJOGLGESQPKZ-IAGOWNOFSA-N 0 3 306.425 3.190 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001099264087 1088378198 /nfs/dbraw/zinc/37/81/98/1088378198.db2.gz MZWVEHREWXJHSM-HZPDHXFCSA-N 0 3 318.461 3.484 20 30 DGEDHN C#CCN1CC[C@]2(CCCN(Cc3cc(C)ccc3C)CC2)C1=O ZINC001272640491 1088382695 /nfs/dbraw/zinc/38/26/95/1088382695.db2.gz ZYBSOUYRPISXPC-OAQYLSRUSA-N 0 3 324.468 3.141 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1occc1-c1ccccc1 ZINC001154232832 1088528507 /nfs/dbraw/zinc/52/85/07/1088528507.db2.gz BYVRYIHSEMOUOD-OAHLLOKOSA-N 0 3 310.397 3.020 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001154261773 1088541178 /nfs/dbraw/zinc/54/11/78/1088541178.db2.gz DISWJWKFWSPGKB-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)CC(C)(C)C1 ZINC001089386725 1088557414 /nfs/dbraw/zinc/55/74/14/1088557414.db2.gz SKJDRPQDXDGIKO-IAGOWNOFSA-N 0 3 316.489 3.197 20 30 DGEDHN N#Cc1cccc(NC(=O)CCNCc2ccccc2Cl)c1 ZINC000243493264 1088672438 /nfs/dbraw/zinc/67/24/38/1088672438.db2.gz NRBZTAZKZQDPBC-UHFFFAOYSA-N 0 3 313.788 3.330 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C/c1cccc(F)c1 ZINC001160161939 1088676080 /nfs/dbraw/zinc/67/60/80/1088676080.db2.gz XHOKFPYCLPVKEO-ZZXKWVIFSA-N 0 3 310.800 3.077 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089483070 1088680994 /nfs/dbraw/zinc/68/09/94/1088680994.db2.gz FYMDYMBECKINFA-CVEARBPZSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)CC(C)(C)C1 ZINC001089491507 1088684581 /nfs/dbraw/zinc/68/45/81/1088684581.db2.gz ODNVXUHWMICVPJ-HOCLYGCPSA-N 0 3 318.486 3.092 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001160235787 1088715177 /nfs/dbraw/zinc/71/51/77/1088715177.db2.gz KIQVLYPRWKVSDO-SFHVURJKSA-N 0 3 302.462 3.447 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)CC(C)(C)C1 ZINC001089553617 1088741147 /nfs/dbraw/zinc/74/11/47/1088741147.db2.gz LPEQXEOBQLPSBG-IBGZPJMESA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2C)CC(C)(C)C1 ZINC001089555963 1088744324 /nfs/dbraw/zinc/74/43/24/1088744324.db2.gz OHQODJPWIFYZEU-QGZVFWFLSA-N 0 3 312.457 3.157 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](CC2CCCCC2)C(C)C)CC1 ZINC001483773495 1088771427 /nfs/dbraw/zinc/77/14/27/1088771427.db2.gz KJLBZCZAMQPMHF-KRWDZBQOSA-N 0 3 304.478 3.101 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2c(C)noc2C(C)C)CC1 ZINC001160430701 1088799109 /nfs/dbraw/zinc/79/91/09/1088799109.db2.gz GJYWTRIUTDARKY-UHFFFAOYSA-N 0 3 317.433 3.044 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1C ZINC001089604106 1088808075 /nfs/dbraw/zinc/80/80/75/1088808075.db2.gz XHBOLYCYHMOSIT-OAHLLOKOSA-N 0 3 304.434 3.385 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001272675074 1088812395 /nfs/dbraw/zinc/81/23/95/1088812395.db2.gz FZLNUOYHTIMFHZ-BWTSREIZSA-N 0 3 312.457 3.357 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C ZINC001089609996 1088820131 /nfs/dbraw/zinc/82/01/31/1088820131.db2.gz NQTRADTXWQOVSL-OAHLLOKOSA-N 0 3 304.434 3.385 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001089619559 1088829702 /nfs/dbraw/zinc/82/97/02/1088829702.db2.gz SJTXLIYMHXZZFL-HNNXBMFYSA-N 0 3 319.424 3.017 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001089627168 1088848374 /nfs/dbraw/zinc/84/83/74/1088848374.db2.gz UXDDEKWWMCLQHT-CQSZACIVSA-N 0 3 306.494 3.461 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2cccc(CC)c2)CC1 ZINC001160515145 1088848953 /nfs/dbraw/zinc/84/89/53/1088848953.db2.gz QPOLYUTZYFXWJR-UHFFFAOYSA-N 0 3 312.457 3.116 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1C ZINC001089634833 1088856591 /nfs/dbraw/zinc/85/65/91/1088856591.db2.gz HVDDSPKNWNPBGW-MRXNPFEDSA-N 0 3 315.461 3.187 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001089634602 1088857387 /nfs/dbraw/zinc/85/73/87/1088857387.db2.gz CPJSYIHQZVFZTJ-OAHLLOKOSA-N 0 3 303.450 3.120 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C(F)(F)F ZINC001483811462 1088914307 /nfs/dbraw/zinc/91/43/07/1088914307.db2.gz NLOOETMQDPYCRC-MCIONIFRSA-N 0 3 318.383 3.216 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001089649709 1088917619 /nfs/dbraw/zinc/91/76/19/1088917619.db2.gz NNANRDXGPIECOT-HNNXBMFYSA-N 0 3 315.461 3.299 20 30 DGEDHN CCCCN(CC#N)C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001160728389 1088934501 /nfs/dbraw/zinc/93/45/01/1088934501.db2.gz CLTNGCUBXVGKFL-QGZVFWFLSA-N 0 3 315.461 3.006 20 30 DGEDHN C#CC[C@H](N)C(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001160739197 1088936645 /nfs/dbraw/zinc/93/66/45/1088936645.db2.gz SYSPZEFIHHTKIE-FQEVSTJZSA-N 0 3 316.404 3.302 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC001160809783 1088975535 /nfs/dbraw/zinc/97/55/35/1088975535.db2.gz ATRAIPLFVAKNQL-UHFFFAOYSA-N 0 3 323.440 3.414 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc3ccsc3[nH]2)CC1 ZINC001160828487 1088984882 /nfs/dbraw/zinc/98/48/82/1088984882.db2.gz OHRSMMZONKGLKK-UHFFFAOYSA-N 0 3 315.442 3.167 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C/C=C/c1ccccc1F ZINC001160826650 1088985011 /nfs/dbraw/zinc/98/50/11/1088985011.db2.gz LJPSLKSRKFZHNY-QPJJXVBHSA-N 0 3 310.800 3.077 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(C)c(Cl)c(C)c1C#N ZINC001160952891 1089037132 /nfs/dbraw/zinc/03/71/32/1089037132.db2.gz HCBDRBGFKLUGTE-ZDUSSCGKSA-N 0 3 304.825 3.286 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC(C1CCC1)C1CCC1 ZINC001155273132 1089038223 /nfs/dbraw/zinc/03/82/23/1089038223.db2.gz HRONECVQGNCUBW-OAHLLOKOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc2ccc(OC)cc2nc1C ZINC001160957953 1089042537 /nfs/dbraw/zinc/04/25/37/1089042537.db2.gz YGZGQGXUKDRWLT-AWEZNQCLSA-N 0 3 312.417 3.009 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001089658607 1089045957 /nfs/dbraw/zinc/04/59/57/1089045957.db2.gz MUPCCCLOALPZCX-MRXNPFEDSA-N 0 3 317.477 3.428 20 30 DGEDHN C#CCN(C(=O)CCC=C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001483980246 1089065483 /nfs/dbraw/zinc/06/54/83/1089065483.db2.gz HLJBMROYRCQGLS-UHFFFAOYSA-N 0 3 324.468 3.387 20 30 DGEDHN C#CCN(C(=O)C1CCC(F)CC1)C1CCN(CC(=C)C)CC1 ZINC001483986381 1089070853 /nfs/dbraw/zinc/07/08/53/1089070853.db2.gz DFMRWLFNZWZQTH-UHFFFAOYSA-N 0 3 320.452 3.017 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC[C@@H](C)C1)C1CCN(CC=C(C)C)CC1 ZINC001483987842 1089072366 /nfs/dbraw/zinc/07/23/66/1089072366.db2.gz GMCZMTOYOPFWGJ-MSOLQXFVSA-N 0 3 316.489 3.315 20 30 DGEDHN C#CCN(C(=O)c1ccc(C)cc1)C1CCN(CC(=C)C)CC1 ZINC001483989176 1089072559 /nfs/dbraw/zinc/07/25/59/1089072559.db2.gz ZSFFLIYULZATPO-UHFFFAOYSA-N 0 3 310.441 3.111 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001484050851 1089134144 /nfs/dbraw/zinc/13/41/44/1089134144.db2.gz KZPXFDLIFSNDPY-NLPFYKDJSA-N 0 3 312.457 3.337 20 30 DGEDHN N[C@@H](CC1CCCC1)C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161152579 1089135471 /nfs/dbraw/zinc/13/54/71/1089135471.db2.gz NNRHDVGJTBVOHG-FQEVSTJZSA-N 0 3 324.468 3.184 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001484052540 1089136306 /nfs/dbraw/zinc/13/63/06/1089136306.db2.gz NUADHFSHXQYJHH-SFHVURJKSA-N 0 3 322.399 3.323 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1(CC)CCC(F)(F)CC1 ZINC001161215653 1089155944 /nfs/dbraw/zinc/15/59/44/1089155944.db2.gz XZWNWVPTKUJVOW-UHFFFAOYSA-N 0 3 322.827 3.441 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001155602149 1089180408 /nfs/dbraw/zinc/18/04/08/1089180408.db2.gz TYWZVAGLCBTEDR-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001089693842 1089200608 /nfs/dbraw/zinc/20/06/08/1089200608.db2.gz PRFHZZBGTGPNIM-QKLQHJQFSA-N 0 3 316.489 3.197 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CCCCC(C)(C)C)CC1 ZINC001484136403 1089215329 /nfs/dbraw/zinc/21/53/29/1089215329.db2.gz 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CC#CCN1CC=C(CCNC(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001161771457 1089394333 /nfs/dbraw/zinc/39/43/33/1089394333.db2.gz LBKZIXNDBOTEKH-INIZCTEOSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC001161806088 1089412984 /nfs/dbraw/zinc/41/29/84/1089412984.db2.gz XRVIQNKTOBEUEC-UHFFFAOYSA-N 0 3 318.848 3.207 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cccc(C)c2)cc1 ZINC001272683920 1089442759 /nfs/dbraw/zinc/44/27/59/1089442759.db2.gz SJPBRBKHKKEGDB-INIZCTEOSA-N 0 3 306.409 3.209 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@H](C)CC ZINC001484554565 1089487695 /nfs/dbraw/zinc/48/76/95/1089487695.db2.gz ZSPIREPRHQTYOO-MRXNPFEDSA-N 0 3 300.446 3.194 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1(C)CC=CC1 ZINC001484556384 1089498483 /nfs/dbraw/zinc/49/84/83/1089498483.db2.gz UFAOGJFCIBBCKP-UHFFFAOYSA-N 0 3 310.441 3.114 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cccn2C(C)C)cc1 ZINC001484563544 1089499082 /nfs/dbraw/zinc/49/90/82/1089499082.db2.gz PNIMTTNFXODJCE-MRXNPFEDSA-N 0 3 323.440 3.283 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001161986915 1089512080 /nfs/dbraw/zinc/51/20/80/1089512080.db2.gz NICBHEUOOFPZBI-PKOBYXMFSA-N 0 3 316.489 3.365 20 30 DGEDHN N#Cc1cc(Cl)nc(-n2cncc2CNCc2ccccc2)c1 ZINC001156472254 1089537435 /nfs/dbraw/zinc/53/74/35/1089537435.db2.gz IMZVIJAHGAMZGQ-UHFFFAOYSA-N 0 3 323.787 3.082 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3sccc3Cl)C2)C1=O ZINC001272687548 1089570887 /nfs/dbraw/zinc/57/08/87/1089570887.db2.gz SOMUKENZLCBRRI-HNNXBMFYSA-N 0 3 310.850 3.012 20 30 DGEDHN C=CCCCCCN1C[C@@H](NC(=O)CC(C)(C)C=C)[C@H](OC)C1 ZINC001212339012 1089587878 /nfs/dbraw/zinc/58/78/78/1089587878.db2.gz WFFNWIRAXLVQCT-IAGOWNOFSA-N 0 3 322.493 3.151 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001484721019 1089630888 /nfs/dbraw/zinc/63/08/88/1089630888.db2.gz ZBCPSLHLNCRKRY-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC)c1ccccc1 ZINC001156745758 1089676088 /nfs/dbraw/zinc/67/60/88/1089676088.db2.gz GQXSPWLWMUATSR-SJLPKXTDSA-N 0 3 300.446 3.030 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(CCC)c(C)s1 ZINC001156787764 1089695913 /nfs/dbraw/zinc/69/59/13/1089695913.db2.gz QSFGFOGNURCGAU-CYBMUJFWSA-N 0 3 306.475 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1CCC ZINC001484822017 1089704784 /nfs/dbraw/zinc/70/47/84/1089704784.db2.gz BFCGKJJLDYUCKY-KRWDZBQOSA-N 0 3 300.446 3.152 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC23CC3)cc1 ZINC001272691534 1089712970 /nfs/dbraw/zinc/71/29/70/1089712970.db2.gz MFYUBPHQPGJCHP-MAUKXSAKSA-N 0 3 310.441 3.167 20 30 DGEDHN N#Cc1ccc(CCNc2ncccc2CN2CCCC2)cc1 ZINC001156836909 1089713761 /nfs/dbraw/zinc/71/37/61/1089713761.db2.gz INCOVYKIRQCSOQ-UHFFFAOYSA-N 0 3 306.413 3.204 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2ccc(C)cc2)cc1 ZINC001272691713 1089720818 /nfs/dbraw/zinc/72/08/18/1089720818.db2.gz MYSBHOPERULZCT-QGZVFWFLSA-N 0 3 320.436 3.138 20 30 DGEDHN CC(C)C[C@@](C)(C#N)Nc1cc(OC2CCN(C)CC2)ccn1 ZINC001162519912 1089769340 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C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485201931 1090016692 /nfs/dbraw/zinc/01/66/92/1090016692.db2.gz NMNMYSCXTLSOMI-OLZOCXBDSA-N 0 3 323.868 3.320 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CCCC(C)C ZINC001162947019 1090033727 /nfs/dbraw/zinc/03/37/27/1090033727.db2.gz XHDOKLSNGBKBLK-UHFFFAOYSA-N 0 3 314.473 3.107 20 30 DGEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H](C)NC(=O)C(C)(C)C ZINC001485214816 1090034195 /nfs/dbraw/zinc/03/41/95/1090034195.db2.gz HYEFGOVPMKZISJ-ZIAGYGMSSA-N 0 3 320.864 3.220 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2cccnc2)CCCC1 ZINC001485232711 1090039382 /nfs/dbraw/zinc/03/93/82/1090039382.db2.gz APDODDJTPRLVGV-JKSUJKDBSA-N 0 3 315.461 3.201 20 30 DGEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)[C@H](C)CC ZINC001485246091 1090052700 /nfs/dbraw/zinc/05/27/00/1090052700.db2.gz MLDMQIKWLZBIBV-LLVKDONJSA-N 0 3 319.287 3.015 20 30 DGEDHN CCCC[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485300473 1090090794 /nfs/dbraw/zinc/09/07/94/1090090794.db2.gz HZPZVJRXVVXHIR-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN N#Cc1ccc(N[C@@H]2CNCc3ccsc32)nc1C(F)(F)F ZINC001163220360 1090121318 /nfs/dbraw/zinc/12/13/18/1090121318.db2.gz CTVHKGGSCBDTBS-SNVBAGLBSA-N 0 3 324.331 3.290 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1coc(C(C)(C)C)n1 ZINC001157950675 1090156016 /nfs/dbraw/zinc/15/60/16/1090156016.db2.gz DWIPIJUFQOTFSR-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001157951315 1090156033 /nfs/dbraw/zinc/15/60/33/1090156033.db2.gz UABWUVOMGJNZNI-DLBZAZTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001158005503 1090169690 /nfs/dbraw/zinc/16/96/90/1090169690.db2.gz YXZKBABYNCYONP-QGZVFWFLSA-N 0 3 322.493 3.104 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2c(o1)CCCC2 ZINC001158065629 1090180277 /nfs/dbraw/zinc/18/02/77/1090180277.db2.gz KXXQZSLFOVCYFK-MRXNPFEDSA-N 0 3 316.445 3.271 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCc1cccs1 ZINC001485485269 1090192988 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C=C(Cl)CNCCC[C@@H](NC(=O)[C@@H](C)C#N)c1ccccc1 ZINC001485778959 1090276486 /nfs/dbraw/zinc/27/64/86/1090276486.db2.gz RBPZMNAJFKQZHI-XJKSGUPXSA-N 0 3 319.836 3.126 20 30 DGEDHN C=C(Br)CNCC[C@H](C)NC(=O)C=C(CC)CC ZINC001272722686 1090333121 /nfs/dbraw/zinc/33/31/21/1090333121.db2.gz XIDSZISHGOUSPG-LBPRGKRZSA-N 0 3 317.271 3.126 20 30 DGEDHN CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107401451 1090433197 /nfs/dbraw/zinc/43/31/97/1090433197.db2.gz OOOBNKOYBQYLRR-NKURCQSBSA-N 0 3 322.880 3.149 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107502675 1090452093 /nfs/dbraw/zinc/45/20/93/1090452093.db2.gz MFIKOJPXCMYRGM-HAGZNBOWSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107930454 1090541117 /nfs/dbraw/zinc/54/11/17/1090541117.db2.gz IZDWDJVNFHPRBT-DNVCBOLYSA-N 0 3 320.477 3.049 20 30 DGEDHN CC(C)(Nc1ccc2c(c1)COC21CNC1)c1ccc(C#N)cc1 ZINC001165759909 1090545954 /nfs/dbraw/zinc/54/59/54/1090545954.db2.gz GTYCLXWHGVHNTF-UHFFFAOYSA-N 0 3 319.408 3.234 20 30 DGEDHN C=C1CCC(C(=O)NCCCNCc2ccncc2Cl)CC1 ZINC001165901445 1090559176 /nfs/dbraw/zinc/55/91/76/1090559176.db2.gz WWTYKEPHRLSALL-UHFFFAOYSA-N 0 3 321.852 3.077 20 30 DGEDHN C=CCCC1(C(=O)NCCCNCc2ccc(F)cc2F)CC1 ZINC001165913896 1090560632 /nfs/dbraw/zinc/56/06/32/1090560632.db2.gz NQIWSMLVXXVKLY-UHFFFAOYSA-N 0 3 322.399 3.307 20 30 DGEDHN CN(C)Cc1cccc(C(=O)N(O)Cc2ccccc2Cl)c1 ZINC001649045822 1090575386 /nfs/dbraw/zinc/57/53/86/1090575386.db2.gz DGOZYGACHNBKMI-UHFFFAOYSA-N 0 3 318.804 3.433 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@]1(C)CN(CC2CCCCC2)CCO1 ZINC001107976966 1090607157 /nfs/dbraw/zinc/60/71/57/1090607157.db2.gz YEACCIALAVZZPP-IBGZPJMESA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(C)cs2)C1=O ZINC001272872326 1090662393 /nfs/dbraw/zinc/66/23/93/1090662393.db2.gz LWKAVTOURORASC-KRWDZBQOSA-N 0 3 304.459 3.200 20 30 DGEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001272915013 1090679745 /nfs/dbraw/zinc/67/97/45/1090679745.db2.gz KXGGPKRVMKGASX-QGZVFWFLSA-N 0 3 316.420 3.120 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)C#CC(C)(C)C)cccc2C1 ZINC001272916960 1090680327 /nfs/dbraw/zinc/68/03/27/1090680327.db2.gz LFEPVGFVWAFQEL-UHFFFAOYSA-N 0 3 324.468 3.287 20 30 DGEDHN C=CCCC1(C(=O)NCCC2(CNCC(=C)Cl)CC2)CC1 ZINC001167029864 1090698380 /nfs/dbraw/zinc/69/83/80/1090698380.db2.gz OFENWLNIITYYSX-UHFFFAOYSA-N 0 3 310.869 3.361 20 30 DGEDHN C[C@@H](CN(C)C(=O)/C=C/C(C)(C)C)NCc1ccc(C#N)s1 ZINC001485854805 1090709113 /nfs/dbraw/zinc/70/91/13/1090709113.db2.gz HFDSMQWUZRDTJW-XEHSLEBBSA-N 0 3 319.474 3.159 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203296284 1090715278 /nfs/dbraw/zinc/71/52/78/1090715278.db2.gz QCJYPDSUBKBPGS-JKSUJKDBSA-N 0 3 322.880 3.340 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001485877187 1090717826 /nfs/dbraw/zinc/71/78/26/1090717826.db2.gz MCUQVCMHVUXCPA-KRWDZBQOSA-N 0 3 312.457 3.077 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)C[C@@H](C)NCc2ccccc2F)cc1 ZINC001485908674 1090723745 /nfs/dbraw/zinc/72/37/45/1090723745.db2.gz XFDQKNVJBJTORX-OAHLLOKOSA-N 0 3 324.399 3.057 20 30 DGEDHN CC[C@H](C)CCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001128158916 1090742744 /nfs/dbraw/zinc/74/27/44/1090742744.db2.gz YXEAYGSVESZYJQ-AWEZNQCLSA-N 0 3 321.490 3.432 20 30 DGEDHN CC(C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C)=C1CCC1 ZINC001486079051 1090749742 /nfs/dbraw/zinc/74/97/42/1090749742.db2.gz KHUPQQJYLHHASD-XLIONFOSSA-N 0 3 322.452 3.118 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001486122615 1090755562 /nfs/dbraw/zinc/75/55/62/1090755562.db2.gz SPEAYXRMJYNMQO-GOEBONIOSA-N 0 3 304.409 3.261 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](CC)OC3CCCC3)CCC[C@H]12 ZINC001486147836 1090764684 /nfs/dbraw/zinc/76/46/84/1090764684.db2.gz QTFYZXPURYUYNV-JENIJYKNSA-N 0 3 320.477 3.023 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CCOC2CCC2)[C@H]1C ZINC001486182816 1090779630 /nfs/dbraw/zinc/77/96/30/1090779630.db2.gz ZPVLYVNBHHOKFA-RDJZCZTQSA-N 0 3 322.493 3.127 20 30 DGEDHN COc1cc(C)c(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001203753901 1090797114 /nfs/dbraw/zinc/79/71/14/1090797114.db2.gz BLSKVCFZYUUJPJ-INIZCTEOSA-N 0 3 303.427 3.086 20 30 DGEDHN COc1cc(C)c(CN2CC[C@@H]3SC(=O)C=C3C2)cc1C ZINC001203753901 1090797117 /nfs/dbraw/zinc/79/71/17/1090797117.db2.gz BLSKVCFZYUUJPJ-INIZCTEOSA-N 0 3 303.427 3.086 20 30 DGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC001203763614 1090799605 /nfs/dbraw/zinc/79/96/05/1090799605.db2.gz CWMPWUVWIWLBJL-INIZCTEOSA-N 0 3 300.402 3.254 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(F)ccc1F)C(C)C ZINC001486369400 1090811278 /nfs/dbraw/zinc/81/12/78/1090811278.db2.gz GLJQCCOCCPQFDG-UHFFFAOYSA-N 0 3 310.388 3.323 20 30 DGEDHN C#CCCN(C)CCN(C(=O)Cc1sc(C)cc1C)C(C)C ZINC001486378843 1090815131 /nfs/dbraw/zinc/81/51/31/1090815131.db2.gz DIQRFQCBEQXSFE-UHFFFAOYSA-N 0 3 320.502 3.100 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cc2ccccc2o1)C(C)C ZINC001486380100 1090815308 /nfs/dbraw/zinc/81/53/08/1090815308.db2.gz XCZAANMAIVZSQS-UHFFFAOYSA-N 0 3 312.413 3.239 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(Br)cc3)CCC2S1 ZINC001203909973 1090836679 /nfs/dbraw/zinc/83/66/79/1090836679.db2.gz SVAFQGRFJHYABM-ZDUSSCGKSA-N 0 3 324.243 3.223 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CCN(Cc2ccccn2)CC1 ZINC001486438989 1090837024 /nfs/dbraw/zinc/83/70/24/1090837024.db2.gz HUTCEVZRVMDTNS-OAHLLOKOSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(F)cc1)C2 ZINC001203914339 1090837468 /nfs/dbraw/zinc/83/74/68/1090837468.db2.gz RCKJWAZTDZEJEU-RBUKOAKNSA-N 0 3 319.420 3.399 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CN(Cc3cccc(C)c3)C2)C1 ZINC001276433467 1090859432 /nfs/dbraw/zinc/85/94/32/1090859432.db2.gz VLCMUWGDIRAOFA-MRXNPFEDSA-N 0 3 312.457 3.288 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CCC2(C)C)c(F)c1 ZINC001486524828 1090869283 /nfs/dbraw/zinc/86/92/83/1090869283.db2.gz OKBQAHBGBHXVEP-OAHLLOKOSA-N 0 3 304.409 3.154 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@H](OC)C1 ZINC001212448721 1090903301 /nfs/dbraw/zinc/90/33/01/1090903301.db2.gz ZVHWKFVUAQYCFY-CGTJXYLNSA-N 0 3 324.509 3.208 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCNCc1cc2ccccc2o1 ZINC001128241794 1090924029 /nfs/dbraw/zinc/92/40/29/1090924029.db2.gz FKHPVGDGVDKKAU-UHFFFAOYSA-N 0 3 300.402 3.241 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001128353284 1090944502 /nfs/dbraw/zinc/94/45/02/1090944502.db2.gz RNRMXQMQFLPYEW-KRWDZBQOSA-N 0 3 302.462 3.471 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccsc3C#N)c2)CC1 ZINC001204502525 1090984180 /nfs/dbraw/zinc/98/41/80/1090984180.db2.gz HFEUPMCKFYKGPH-UHFFFAOYSA-N 0 3 312.442 3.111 20 30 DGEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cccc(F)c1C)C2 ZINC001204512014 1090987656 /nfs/dbraw/zinc/98/76/56/1090987656.db2.gz YEHJNXKBILVPHL-IEBWSBKVSA-N 0 3 319.420 3.460 20 30 DGEDHN Cc1cccc(Nc2cccc(CN3CCN(C)CC3)c2)c1C#N ZINC001204537878 1090995123 /nfs/dbraw/zinc/99/51/23/1090995123.db2.gz ONXRUFIJKKYJBV-UHFFFAOYSA-N 0 3 320.440 3.358 20 30 DGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC001204678399 1091016183 /nfs/dbraw/zinc/01/61/83/1091016183.db2.gz KNAWHDNEMPARCY-UHFFFAOYSA-N 0 3 315.461 3.451 20 30 DGEDHN C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)CC1CC1 ZINC001168740471 1091034802 /nfs/dbraw/zinc/03/48/02/1091034802.db2.gz WXTKOFNQCSNRCS-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108115963 1091094494 /nfs/dbraw/zinc/09/44/94/1091094494.db2.gz XNYKNHHWNWNJTM-LJQANCHMSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108115623 1091095085 /nfs/dbraw/zinc/09/50/85/1091095085.db2.gz RXKXRHWDMCMAAU-QFBILLFUSA-N 0 3 322.493 3.151 20 30 DGEDHN Cc1cc(CN2CCCN(c3ccc(C#N)cn3)CC2)ccc1F ZINC001205192972 1091125194 /nfs/dbraw/zinc/12/51/94/1091125194.db2.gz LJBYNPZLQLMOSL-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108147275 1091149561 /nfs/dbraw/zinc/14/95/61/1091149561.db2.gz ZZPZLBBFELBKGR-LPHOPBHVSA-N 0 3 322.493 3.129 20 30 DGEDHN C[C@H](C#N)CNCCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001205366582 1091201952 /nfs/dbraw/zinc/20/19/52/1091201952.db2.gz JALFUXOVLOFKCN-WZYMTQMTSA-N 0 3 321.465 3.304 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](Oc3cccc(C)n3)C2)cc1 ZINC001138560743 1091229963 /nfs/dbraw/zinc/22/99/63/1091229963.db2.gz LERMZGIAIVUMDQ-LJQANCHMSA-N 0 3 322.408 3.055 20 30 DGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCc2ccccc2C#N)C1 ZINC001205584730 1091266789 /nfs/dbraw/zinc/26/67/89/1091266789.db2.gz GGWJVBGOMLSUBI-MAUKXSAKSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCN(C2CCC2)CC1 ZINC001138663019 1091278814 /nfs/dbraw/zinc/27/88/14/1091278814.db2.gz LKRWOJIZUJDYEI-UHFFFAOYSA-N 0 3 300.446 3.312 20 30 DGEDHN C=C(C)COc1ccccc1CN1CC[C@@H](c2nc(C)no2)C1 ZINC001138665116 1091280872 /nfs/dbraw/zinc/28/08/72/1091280872.db2.gz GPPYDJJEXVWAHT-MRXNPFEDSA-N 0 3 313.401 3.322 20 30 DGEDHN CNc1ncccc1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001138692598 1091292094 /nfs/dbraw/zinc/29/20/94/1091292094.db2.gz DERWBQWMGRDSQC-UHFFFAOYSA-N 0 3 306.413 3.375 20 30 DGEDHN Cc1cccnc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001205821179 1091366715 /nfs/dbraw/zinc/36/67/15/1091366715.db2.gz DWSSJMSWONWDKF-SFHVURJKSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108188591 1091374426 /nfs/dbraw/zinc/37/44/26/1091374426.db2.gz VVXGORAPWIPWAW-RTBURBONSA-N 0 3 324.509 3.232 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CCC1 ZINC001273195293 1091379110 /nfs/dbraw/zinc/37/91/10/1091379110.db2.gz PUTQINDYKIRZJL-UHFFFAOYSA-N 0 3 323.440 3.050 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2sc(N3CCCCC3)nc2C)C1 ZINC001118336086 1091380794 /nfs/dbraw/zinc/38/07/94/1091380794.db2.gz CKQASIYYCFNGSL-OAHLLOKOSA-N 0 3 303.475 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001205878846 1091391025 /nfs/dbraw/zinc/39/10/25/1091391025.db2.gz GYOSRVXFVGJTLN-LCYFTJDESA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCOc1ccccc1CN1CCC[C@@](C)(C(=O)OCC)C1 ZINC001139030306 1091424736 /nfs/dbraw/zinc/42/47/36/1091424736.db2.gz IXQUIBABDBLYOH-LJQANCHMSA-N 0 3 317.429 3.417 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001206094609 1091489596 /nfs/dbraw/zinc/48/95/96/1091489596.db2.gz QQYNASZIDTUXMZ-UHFFFAOYSA-N 0 3 324.428 3.446 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc3ncccc3c2)no1 ZINC001206094370 1091489666 /nfs/dbraw/zinc/48/96/66/1091489666.db2.gz JUNLHHDPINFOSQ-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001206094704 1091490462 /nfs/dbraw/zinc/49/04/62/1091490462.db2.gz UYLHHNOVABUDNO-UHFFFAOYSA-N 0 3 321.384 3.031 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc3cnccc32)no1 ZINC001206094837 1091491126 /nfs/dbraw/zinc/49/11/26/1091491126.db2.gz XGMOQNDHKROFBE-UHFFFAOYSA-N 0 3 306.369 3.394 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3(C)CCCCC3)[C@@H]2C1 ZINC001084507798 1091497303 /nfs/dbraw/zinc/49/73/03/1091497303.db2.gz HGNZBWQDCOMDDZ-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084645871 1091524749 /nfs/dbraw/zinc/52/47/49/1091524749.db2.gz IDXBZOIRLALQIN-QZTJIDSGSA-N 0 3 310.441 3.076 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3[C@H]4CCCCCC[C@H]34)[C@@H]2C1 ZINC001084680326 1091534258 /nfs/dbraw/zinc/53/42/58/1091534258.db2.gz JXWUVCUDKCTMCY-VSZNYVQBSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)[C@@H]2C1 ZINC001084714429 1091546278 /nfs/dbraw/zinc/54/62/78/1091546278.db2.gz GWIJTYLQRZVZLW-IYWMVGAKSA-N 0 3 324.468 3.207 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@H](F)CC3CCCCC3)[C@@H]2C1 ZINC001084777069 1091559678 /nfs/dbraw/zinc/55/96/78/1091559678.db2.gz INUAKEFBADSIBR-KZNAEPCWSA-N 0 3 322.468 3.404 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)C[C@@H]21 ZINC001085047879 1091650278 /nfs/dbraw/zinc/65/02/78/1091650278.db2.gz SMFUUOVLHOXFIH-JQHSSLGASA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3F)C[C@@H]21 ZINC001085058913 1091653575 /nfs/dbraw/zinc/65/35/75/1091653575.db2.gz XKMVTTLZSSLPCM-RKVPGOIHSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCCN(Cc1ccccc1)Cc1cnc2c(c1)OCCO2 ZINC001139734197 1091658272 /nfs/dbraw/zinc/65/82/72/1091658272.db2.gz MEXZGBKUBKRLKJ-UHFFFAOYSA-N 0 3 310.397 3.431 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CCCC(C)(C)C3)C[C@@H]21 ZINC001085075784 1091658502 /nfs/dbraw/zinc/65/85/02/1091658502.db2.gz KYDPBSSWXZXXPL-KURKYZTESA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)cc3)C[C@@H]21 ZINC001085077990 1091661551 /nfs/dbraw/zinc/66/15/51/1091661551.db2.gz UIETUHFIVVSGKJ-RLLQIKCJSA-N 0 3 324.468 3.045 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001206545252 1091664045 /nfs/dbraw/zinc/66/40/45/1091664045.db2.gz SMYOWAHTJVXOOU-FSPWUOQZSA-N 0 3 316.420 3.216 20 30 DGEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CCCCC3(C)C)C[C@@H]21 ZINC001085108295 1091671571 /nfs/dbraw/zinc/67/15/71/1091671571.db2.gz XLERDJFGXSCVNZ-KURKYZTESA-N 0 3 316.489 3.149 20 30 DGEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=C)Cl)cc1 ZINC001085293627 1091738410 /nfs/dbraw/zinc/73/84/10/1091738410.db2.gz RREMKZZAFCSNRK-IAGOWNOFSA-N 0 3 316.832 3.051 20 30 DGEDHN CC#CC[C@@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC001203000090 1091762974 /nfs/dbraw/zinc/76/29/74/1091762974.db2.gz GYSZADIWZVBMOA-ZDUSSCGKSA-N 0 3 305.727 3.223 20 30 DGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CCOCC4)CC3)c2c1 ZINC001140115120 1091772925 /nfs/dbraw/zinc/77/29/25/1091772925.db2.gz NNXGTWXFNKOQKQ-UHFFFAOYSA-N 0 3 309.413 3.432 20 30 DGEDHN COC(=O)CCN(Cc1ccc(C#N)cc1F)C1CCCC1 ZINC001140137427 1091781308 /nfs/dbraw/zinc/78/13/08/1091781308.db2.gz ITHJEDGVPRJLOP-UHFFFAOYSA-N 0 3 304.365 3.005 20 30 DGEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1-n1cnc(CN)c1 ZINC001154912070 1091804791 /nfs/dbraw/zinc/80/47/91/1091804791.db2.gz YXNMBAGPXDJJMC-UHFFFAOYSA-N 0 3 318.167 3.058 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cnc(C)s1)C2 ZINC001207060994 1091834172 /nfs/dbraw/zinc/83/41/72/1091834172.db2.gz YXUQCMZAQWMVOC-IRXDYDNUSA-N 0 3 322.474 3.025 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1coc2c1cccc2C ZINC001085643024 1091866343 /nfs/dbraw/zinc/86/63/43/1091866343.db2.gz CHVKQHBHBJMUCN-OAHLLOKOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(CC(C)C)cc1 ZINC001297380432 1091872140 /nfs/dbraw/zinc/87/21/40/1091872140.db2.gz YQSAZJZUGDHHLR-UHFFFAOYSA-N 0 3 302.462 3.465 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCSc1ccccc1 ZINC001297378907 1091872715 /nfs/dbraw/zinc/87/27/15/1091872715.db2.gz KENZNDPQOWTFII-UHFFFAOYSA-N 0 3 306.475 3.135 20 30 DGEDHN C=CCN(CCN1CC[C@@]2(C1)CCCCO2)C(=O)OC(C)(C)C ZINC001207198530 1091885738 /nfs/dbraw/zinc/88/57/38/1091885738.db2.gz GDMBPZMQULKWKB-GOSISDBHSA-N 0 3 324.465 3.055 20 30 DGEDHN C=CCN(CCN1CCC(C(F)F)CC1)C(=O)OC(C)(C)C ZINC001207203468 1091887367 /nfs/dbraw/zinc/88/73/67/1091887367.db2.gz DUBXHGBSQSQAAO-UHFFFAOYSA-N 0 3 318.408 3.387 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(CCC1CCCCC1)CC2 ZINC001207260761 1091902680 /nfs/dbraw/zinc/90/26/80/1091902680.db2.gz YDRHZXDUCWAOKQ-UHFFFAOYSA-N 0 3 317.477 3.451 20 30 DGEDHN N#Cc1ccc(CN2CCC3(CC(OCC4CC4)C3)CC2)cn1 ZINC001140543584 1091903979 /nfs/dbraw/zinc/90/39/79/1091903979.db2.gz PYXUKFYLQCYJQN-UHFFFAOYSA-N 0 3 311.429 3.124 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(F)cc1C ZINC001085759528 1091917524 /nfs/dbraw/zinc/91/75/24/1091917524.db2.gz JMBKEQZYYDYYGV-INIZCTEOSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2ncccc2c1 ZINC001085796837 1091942240 /nfs/dbraw/zinc/94/22/40/1091942240.db2.gz AUSCCFKUUUWNTJ-SFHVURJKSA-N 0 3 323.440 3.347 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H]1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207375796 1091944842 /nfs/dbraw/zinc/94/48/42/1091944842.db2.gz PAQDMHOYUZSAPD-JONQDZQNSA-N 0 3 319.449 3.152 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001085816399 1091950370 /nfs/dbraw/zinc/95/03/70/1091950370.db2.gz WAYKGWQVIZPSMD-MRXNPFEDSA-N 0 3 312.457 3.461 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001085814819 1091950858 /nfs/dbraw/zinc/95/08/58/1091950858.db2.gz HFYMQGZRRZJJNS-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001085844897 1091973981 /nfs/dbraw/zinc/97/39/81/1091973981.db2.gz ZWCHMJLNYVDZLC-QGZVFWFLSA-N 0 3 316.445 3.198 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1C ZINC001085845901 1091976339 /nfs/dbraw/zinc/97/63/39/1091976339.db2.gz XZMIZHQIQCRCFI-MRXNPFEDSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)c(C)c1 ZINC001085874734 1091993523 /nfs/dbraw/zinc/99/35/23/1091993523.db2.gz IOCAMSLZKXTMBA-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN1CC[C@]2(CCN(Cc3cc(F)ccc3Cl)C2)C1=O ZINC001273374711 1092021859 /nfs/dbraw/zinc/02/18/59/1092021859.db2.gz QFRUAYKLIYPZON-KRWDZBQOSA-N 0 3 322.811 3.090 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2[nH]ccc2s1 ZINC001085947985 1092038887 /nfs/dbraw/zinc/03/88/87/1092038887.db2.gz YENQOCRUJUCBMT-ZDUSSCGKSA-N 0 3 317.458 3.342 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1C(F)F ZINC001085949654 1092042754 /nfs/dbraw/zinc/04/27/54/1092042754.db2.gz LLLMGRCVGAPVAB-LLVKDONJSA-N 0 3 314.401 3.408 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001207635888 1092054453 /nfs/dbraw/zinc/05/44/53/1092054453.db2.gz OADQHRPNFLFUEO-INIZCTEOSA-N 0 3 308.372 3.012 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001086085456 1092127793 /nfs/dbraw/zinc/12/77/93/1092127793.db2.gz FTSDMNXGIIQQBK-KFWWJZLASA-N 0 3 310.869 3.194 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207914736 1092141368 /nfs/dbraw/zinc/14/13/68/1092141368.db2.gz NWEMTHKVMDMCBO-KBPBESRZSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001086208783 1092164616 /nfs/dbraw/zinc/16/46/16/1092164616.db2.gz ILODCFDAYKJDMF-FZKCQIBNSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001086208785 1092164844 /nfs/dbraw/zinc/16/48/44/1092164844.db2.gz ILODCFDAYKJDMF-UYVKZUBASA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001086219598 1092167539 /nfs/dbraw/zinc/16/75/39/1092167539.db2.gz IHMARXRBGSFJHH-JQPKMHHNSA-N 0 3 324.896 3.440 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001207995475 1092169805 /nfs/dbraw/zinc/16/98/05/1092169805.db2.gz IWLDFPBWNQBZAO-ZDUSSCGKSA-N 0 3 324.877 3.142 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC001207995422 1092170045 /nfs/dbraw/zinc/17/00/45/1092170045.db2.gz HVBUJNAOXYQMRO-KRWDZBQOSA-N 0 3 324.424 3.173 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001086241992 1092177764 /nfs/dbraw/zinc/17/77/64/1092177764.db2.gz YEZBNDAXWQSGQJ-JYYAWHABSA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN[C@H](C)CNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC001491596768 1092186959 /nfs/dbraw/zinc/18/69/59/1092186959.db2.gz GGJWOGUGDLOJPU-SJLPKXTDSA-N 0 3 306.494 3.347 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001086280232 1092191118 /nfs/dbraw/zinc/19/11/18/1092191118.db2.gz QWDHGWOYBCKYTH-BDRNCRCMSA-N 0 3 312.885 3.296 20 30 DGEDHN CCC(CC)(CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001491625219 1092191735 /nfs/dbraw/zinc/19/17/35/1092191735.db2.gz RCKKEEGCZGLXCW-ZDUSSCGKSA-N 0 3 321.490 3.430 20 30 DGEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1sccc1OC)C2 ZINC001141324620 1092208032 /nfs/dbraw/zinc/20/80/32/1092208032.db2.gz NAWRZRRBQLTIOI-PBHICJAKSA-N 0 3 323.458 3.083 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001086365020 1092223304 /nfs/dbraw/zinc/22/33/04/1092223304.db2.gz BMVLCYZCWPEARV-PYJNHQTQSA-N 0 3 322.836 3.254 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC(CC)CC)C2)CC1 ZINC001316668618 1092223710 /nfs/dbraw/zinc/22/37/10/1092223710.db2.gz GSZTXKGESWNGJH-MRXNPFEDSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001086377680 1092226966 /nfs/dbraw/zinc/22/69/66/1092226966.db2.gz YFGXJDOGCFOZAK-JOCQHMNTSA-N 0 3 312.866 3.215 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2sccc2Cl)C1 ZINC001086374573 1092227496 /nfs/dbraw/zinc/22/74/96/1092227496.db2.gz AIZAWPNDRZMNQN-MGCOHNPYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=CCOC(=O)N[C@H]1CCCN(CC[C@H](C)c2ccc(C)o2)C1 ZINC001208165743 1092233079 /nfs/dbraw/zinc/23/30/79/1092233079.db2.gz SZUFPNLGHKRMQY-HOCLYGCPSA-N 0 3 320.433 3.458 20 30 DGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC001208176524 1092241883 /nfs/dbraw/zinc/24/18/83/1092241883.db2.gz FRZKLHIMTZWGKZ-RTBURBONSA-N 0 3 304.478 3.086 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001086422516 1092244455 /nfs/dbraw/zinc/24/44/55/1092244455.db2.gz JFIANVSGYOEUJV-HDJSIYSDSA-N 0 3 310.825 3.055 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001086477403 1092266309 /nfs/dbraw/zinc/26/63/09/1092266309.db2.gz FOGYXQVZWVMWNX-CTYIDZIISA-N 0 3 321.852 3.056 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC001491874032 1092267555 /nfs/dbraw/zinc/26/75/55/1092267555.db2.gz LESJLXZGHNMRNG-GJZGRUSLSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001491882605 1092272704 /nfs/dbraw/zinc/27/27/04/1092272704.db2.gz OWXBUQKKAOQLCJ-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001086491335 1092280171 /nfs/dbraw/zinc/28/01/71/1092280171.db2.gz BYSKYPCOQNHTIB-NNUKFRKNSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001208241132 1092291174 /nfs/dbraw/zinc/29/11/74/1092291174.db2.gz UGOYUQDYKIOODK-IBGZPJMESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001208301725 1092304359 /nfs/dbraw/zinc/30/43/59/1092304359.db2.gz LUFDOFPWNZNWRX-IAGOWNOFSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001086521648 1092316838 /nfs/dbraw/zinc/31/68/38/1092316838.db2.gz YEZBNDAXWQSGQJ-KCYZZUKISA-N 0 3 312.885 3.296 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001491953538 1092320159 /nfs/dbraw/zinc/32/01/59/1092320159.db2.gz BRYYQKDOPZUXQW-MOPGFXCFSA-N 0 3 324.468 3.053 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001491959266 1092324742 /nfs/dbraw/zinc/32/47/42/1092324742.db2.gz KGQSQIWKVSCCFT-DLBZAZTESA-N 0 3 306.494 3.395 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001208396308 1092341260 /nfs/dbraw/zinc/34/12/60/1092341260.db2.gz RQVFDEFKFLVROF-KZNAEPCWSA-N 0 3 324.509 3.088 20 30 DGEDHN C[C@@H](C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1)C1CCC1 ZINC001208401046 1092342324 /nfs/dbraw/zinc/34/23/24/1092342324.db2.gz RQCHOZJDWVYINP-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2csc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168835448 1092387774 /nfs/dbraw/zinc/38/77/74/1092387774.db2.gz SOKGNCTVLDWLHG-DGCLKSJQSA-N 0 3 321.446 3.107 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1sccc1CC ZINC001492128785 1092393776 /nfs/dbraw/zinc/39/37/76/1092393776.db2.gz FOWBIYOILZZPMV-NSHDSACASA-N 0 3 300.855 3.161 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1ccncc1Cl ZINC001492090666 1092401458 /nfs/dbraw/zinc/40/14/58/1092401458.db2.gz XYQGKJALTHIEJI-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C[C@@H]1C[C@H](N2CCC[C@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001168866885 1092403744 /nfs/dbraw/zinc/40/37/44/1092403744.db2.gz VGVWHGOEQQTSEE-KFWWJZLASA-N 0 3 307.438 3.010 20 30 DGEDHN C[C@@H]1C[C@H](N2CCC[C@@H](CC#N)C2)CN1C(=O)OC(C)(C)C ZINC001168866882 1092404586 /nfs/dbraw/zinc/40/45/86/1092404586.db2.gz VGVWHGOEQQTSEE-ILXRZTDVSA-N 0 3 307.438 3.010 20 30 DGEDHN CC(C)(C)OC(=O)N1CC(CN(CCC#N)C2CCCC2)C1 ZINC001208621597 1092433409 /nfs/dbraw/zinc/43/34/09/1092433409.db2.gz VGRXPEHCJAGEFK-UHFFFAOYSA-N 0 3 307.438 3.012 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001492262022 1092460847 /nfs/dbraw/zinc/46/08/47/1092460847.db2.gz KOZHXRMMCZSOIM-UHFFFAOYSA-N 0 3 313.445 3.318 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001316671824 1092467669 /nfs/dbraw/zinc/46/76/69/1092467669.db2.gz WQQWFYJUFGDVPB-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001316671825 1092468445 /nfs/dbraw/zinc/46/84/45/1092468445.db2.gz WQQWFYJUFGDVPB-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001276584573 1092481537 /nfs/dbraw/zinc/48/15/37/1092481537.db2.gz XJKQAXZGCBTUOS-BLLLJJGKSA-N 0 3 319.474 3.040 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)CCCCC(C)(C)C)C(C)(C)C1 ZINC001276586277 1092499876 /nfs/dbraw/zinc/49/98/76/1092499876.db2.gz GGHQIAAGDQNFEG-INIZCTEOSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCc2ccc(F)cc2)C1 ZINC001208850767 1092541290 /nfs/dbraw/zinc/54/12/90/1092541290.db2.gz ORXWBONOYANNPV-CRAIPNDOSA-N 0 3 318.436 3.161 20 30 DGEDHN Cc1ccc2c(n1)N(C)CCN(CCCc1cccc(C#N)c1)C2 ZINC001208850025 1092541515 /nfs/dbraw/zinc/54/15/15/1092541515.db2.gz UFLYJGNNHMGYHM-UHFFFAOYSA-N 0 3 320.440 3.146 20 30 DGEDHN CN1CCN(CCCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC001208852407 1092543993 /nfs/dbraw/zinc/54/39/93/1092543993.db2.gz JFFPMJMSIJXHTQ-NRFANRHFSA-N 0 3 319.452 3.480 20 30 DGEDHN N#Cc1cccc(CCCN2CCc3nc(C4CC4)ncc3C2)c1 ZINC001208851085 1092544923 /nfs/dbraw/zinc/54/49/23/1092544923.db2.gz QNJRFFACXOVWND-UHFFFAOYSA-N 0 3 318.424 3.217 20 30 DGEDHN N#Cc1ccc2c(CN3CCC4(C[C@H]4CCO)CC3)c[nH]c2c1 ZINC001142916493 1092584840 /nfs/dbraw/zinc/58/48/40/1092584840.db2.gz TZPPUWAPRBBBCU-MRXNPFEDSA-N 0 3 309.413 3.024 20 30 DGEDHN C#CC(C)(C)N(C)Cc1ccc(I)cc1 ZINC001169244086 1092613319 /nfs/dbraw/zinc/61/33/19/1092613319.db2.gz ZWGBAMFSQZTPTB-UHFFFAOYSA-N 0 3 313.182 3.135 20 30 DGEDHN COC(=O)c1ccc2[nH]cc(CN3CCC[C@H](C#N)CC3)c2c1 ZINC001143239798 1092640574 /nfs/dbraw/zinc/64/05/74/1092640574.db2.gz YNOBKZOUIULRPP-ZDUSSCGKSA-N 0 3 311.385 3.080 20 30 DGEDHN CCN(CCC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304643 1092640928 /nfs/dbraw/zinc/64/09/28/1092640928.db2.gz GUZWPZQPVFVWRK-UHFFFAOYSA-N 0 3 300.402 3.390 20 30 DGEDHN C=CCCCN1CCc2c(c(COCC)nn2CC2CC2)C1 ZINC001209158664 1092675455 /nfs/dbraw/zinc/67/54/55/1092675455.db2.gz VRXJNQOXFLMYOD-UHFFFAOYSA-N 0 3 303.450 3.154 20 30 DGEDHN C=CCCCN1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC001209158500 1092676073 /nfs/dbraw/zinc/67/60/73/1092676073.db2.gz PUFDONKGMUMPQF-IPMKNSEASA-N 0 3 316.445 3.105 20 30 DGEDHN C=CCCCN1Cc2cn(CC3CC3)nc2[C@@H](COCC)C1 ZINC001209160963 1092676405 /nfs/dbraw/zinc/67/64/05/1092676405.db2.gz FCJJUOPJGYBMGY-QGZVFWFLSA-N 0 3 303.450 3.195 20 30 DGEDHN C=CCCCCN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001209203264 1092693538 /nfs/dbraw/zinc/69/35/38/1092693538.db2.gz LASFGEYBWCSSCL-RCCFBDPRSA-N 0 3 316.445 3.296 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CN(CC2=CCCCC2)CCCO1 ZINC001149789616 1092731893 /nfs/dbraw/zinc/73/18/93/1092731893.db2.gz PCZVINSITKYLDD-GOSISDBHSA-N 0 3 320.477 3.050 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2c(C)nsc2C)C1 ZINC001209335910 1092738319 /nfs/dbraw/zinc/73/83/19/1092738319.db2.gz SCGXRGSSOZLECL-OAHLLOKOSA-N 0 3 321.490 3.197 20 30 DGEDHN C=CCCCCCCN1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001209436417 1092773445 /nfs/dbraw/zinc/77/34/45/1092773445.db2.gz WAQWKYNSPLAYCN-KRWDZBQOSA-N 0 3 305.466 3.492 20 30 DGEDHN C=CCCCCCCCN1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001209439356 1092774882 /nfs/dbraw/zinc/77/48/82/1092774882.db2.gz NEBPOJFUYCSEAM-UHFFFAOYSA-N 0 3 324.509 3.472 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001151339558 1092889399 /nfs/dbraw/zinc/88/93/99/1092889399.db2.gz GJHCUOHEXVDAKC-QGZVFWFLSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001151339557 1092889193 /nfs/dbraw/zinc/88/91/93/1092889193.db2.gz GJHCUOHEXVDAKC-KRWDZBQOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001209874724 1092960296 /nfs/dbraw/zinc/96/02/96/1092960296.db2.gz KTGGRWDOJXCHSZ-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001210251085 1093095405 /nfs/dbraw/zinc/09/54/05/1093095405.db2.gz KRMHIIZXYNBFBE-SOLBZPMBSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001211242307 1093431379 /nfs/dbraw/zinc/43/13/79/1093431379.db2.gz ZPOFBOGCWDZQGM-NZSAHSFTSA-N 0 3 312.457 3.359 20 30 DGEDHN CC(=O)Nc1ccc(Nc2ccc3nc(C)[nH]c3c2)cc1C#N ZINC001213074157 1093510022 /nfs/dbraw/zinc/51/00/22/1093510022.db2.gz GTPIJDOVKKMVJA-UHFFFAOYSA-N 0 3 305.341 3.445 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)[C@H](OC)C1 ZINC001213300353 1093560869 /nfs/dbraw/zinc/56/08/69/1093560869.db2.gz RJEUDWACTOPJLR-GVDBMIGSSA-N 0 3 324.509 3.208 20 30 DGEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cc3N)cc2)CC1 ZINC001213355825 1093571812 /nfs/dbraw/zinc/57/18/12/1093571812.db2.gz ZDAUMFIEAIZIIB-UHFFFAOYSA-N 0 3 321.428 3.026 20 30 DGEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(N)c(C#N)c3)cccc21 ZINC001213443316 1093586800 /nfs/dbraw/zinc/58/68/00/1093586800.db2.gz FRTWTQAJCMTRBA-KRWDZBQOSA-N 0 3 308.385 3.269 20 30 DGEDHN C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1NCC#Cc1ccccc1 ZINC001214356590 1093758866 /nfs/dbraw/zinc/75/88/66/1093758866.db2.gz WCKDQJQEJCOFMA-BJANITQPSA-N 0 3 324.468 3.077 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001214741335 1093845077 /nfs/dbraw/zinc/84/50/77/1093845077.db2.gz GKHTVKIGDPLWRT-MLGOLLRUSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214743960 1093845707 /nfs/dbraw/zinc/84/57/07/1093845707.db2.gz WFGFBPWSZPLOTL-VXGBXAGGSA-N 0 3 305.249 3.098 20 30 DGEDHN CCC1(C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)CCC1 ZINC001215353899 1093966787 /nfs/dbraw/zinc/96/67/87/1093966787.db2.gz ZSJJIVDKMAZFEX-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001215498306 1093991216 /nfs/dbraw/zinc/99/12/16/1093991216.db2.gz IBJGLBFPUVFARI-VXGBXAGGSA-N 0 3 317.260 3.098 20 30 DGEDHN C#Cc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1 ZINC001216568350 1094222260 /nfs/dbraw/zinc/22/22/60/1094222260.db2.gz FRGOGKITKPDHTK-UHFFFAOYSA-N 0 3 303.365 3.447 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@@H]([C@H]2CCCN2CCF)C1 ZINC001120412692 1094424523 /nfs/dbraw/zinc/42/45/23/1094424523.db2.gz HUIXIBLWETTXKW-QZTJIDSGSA-N 0 3 322.468 3.243 20 30 DGEDHN C=CC1(CC(=O)NCCNCc2scnc2C)CCCCC1 ZINC001135190366 1094426092 /nfs/dbraw/zinc/42/60/92/1094426092.db2.gz CSVZTZKIPCEXRQ-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN C=CCCC1(C(=O)N2CCC[C@@H]([C@@H]3CCCN3CCF)C2)CC1 ZINC001120432163 1094429871 /nfs/dbraw/zinc/42/98/71/1094429871.db2.gz YTOQVISCPUAHMP-SJORKVTESA-N 0 3 322.468 3.405 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1conc1CC ZINC001135180664 1094430517 /nfs/dbraw/zinc/43/05/17/1094430517.db2.gz IYOVTMJYERELAV-KGLIPLIRSA-N 0 3 321.465 3.212 20 30 DGEDHN C[C@H]([C@H](C)C(=O)NCCNCc1ccc(C#N)s1)C(C)(C)C ZINC001135178184 1094431064 /nfs/dbraw/zinc/43/10/64/1094431064.db2.gz QXPGCKRWJHGVJQ-QWHCGFSZSA-N 0 3 321.490 3.144 20 30 DGEDHN C=CC1(CC(=O)NCCNCc2ccsc2)CCCCC1 ZINC001135196626 1094438146 /nfs/dbraw/zinc/43/81/46/1094438146.db2.gz APNDMULBAXQWMG-UHFFFAOYSA-N 0 3 306.475 3.481 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001135239667 1094456759 /nfs/dbraw/zinc/45/67/59/1094456759.db2.gz ZXVAKQFQIFFOGO-UDVMBWJESA-N 0 3 319.276 3.372 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccncc1Cl ZINC001135357430 1094500853 /nfs/dbraw/zinc/50/08/53/1094500853.db2.gz CMZZJGNBBFRXOR-KBPBESRZSA-N 0 3 323.868 3.464 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135358481 1094501806 /nfs/dbraw/zinc/50/18/06/1094501806.db2.gz SNZBTEQNXHDQDO-STQMWFEESA-N 0 3 309.479 3.181 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135358025 1094502210 /nfs/dbraw/zinc/50/22/10/1094502210.db2.gz LESNWIWIXRKGGE-JKSUJKDBSA-N 0 3 313.445 3.287 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NCc2cc(C)no2)CC1 ZINC001135416922 1094528321 /nfs/dbraw/zinc/52/83/21/1094528321.db2.gz YCHIOWKIXFUODY-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NCc2cc(C)no2)CC1 ZINC001135416923 1094528657 /nfs/dbraw/zinc/52/86/57/1094528657.db2.gz YCHIOWKIXFUODY-KGLIPLIRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NCc2cnc(C)o2)CC1 ZINC001135416914 1094528718 /nfs/dbraw/zinc/52/87/18/1094528718.db2.gz YAJLSRBYOWZKIF-KBPBESRZSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C/C(C)(C)C)C2 ZINC001120853950 1094540841 /nfs/dbraw/zinc/54/08/41/1094540841.db2.gz LANKTWJMJPZNGX-AATRIKPKSA-N 0 3 310.869 3.358 20 30 DGEDHN CCCCCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135548650 1094572994 /nfs/dbraw/zinc/57/29/94/1094572994.db2.gz URRQEFWCULDPKG-MRXNPFEDSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)CCC(=O)NC1CC2(CC(NCc3nccs3)C2)C1 ZINC001121180709 1094597809 /nfs/dbraw/zinc/59/78/09/1094597809.db2.gz VDNVHQBERSJLGL-UHFFFAOYSA-N 0 3 319.474 3.016 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001086751031 1094619412 /nfs/dbraw/zinc/61/94/12/1094619412.db2.gz SXOXZFVZYBSTJJ-DZGCQCFKSA-N 0 3 324.827 3.375 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C(C)C)C1 ZINC001103489665 1094649529 /nfs/dbraw/zinc/64/95/29/1094649529.db2.gz OLFQTRAGJOPUJA-BPLDGKMQSA-N 0 3 300.874 3.105 20 30 DGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001086780503 1094680343 /nfs/dbraw/zinc/68/03/43/1094680343.db2.gz VYXXOVKKIPAVEB-ZNMIVQPWSA-N 0 3 312.885 3.440 20 30 DGEDHN CCn1c2ccccc2nc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC001336729002 1094712821 /nfs/dbraw/zinc/71/28/21/1094712821.db2.gz WAQUTWDNCBXAOV-ZIAGYGMSSA-N 0 3 314.433 3.008 20 30 DGEDHN C=CCCCCCC[C@@H](C)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218356923 1094733742 /nfs/dbraw/zinc/73/37/42/1094733742.db2.gz ZTWCNCYHRCUBCT-QAPCUYQASA-N 0 3 318.461 3.336 20 30 DGEDHN C#CCC1(C(=O)NCC[C@@H]2CN(CCF)C[C@H]2C)CCCCC1 ZINC001103765821 1094738042 /nfs/dbraw/zinc/73/80/42/1094738042.db2.gz KGPNTPCZKYMNDE-IAGOWNOFSA-N 0 3 322.468 3.004 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1C ZINC001103828412 1094763056 /nfs/dbraw/zinc/76/30/56/1094763056.db2.gz ZQDUACAJPIGUER-FHTYSXSTSA-N 0 3 322.836 3.120 20 30 DGEDHN C=C(C)C[C@@H](Oc1nc2onc(C)c2c2c1CNCC2)C(=C)C ZINC001218436468 1094773017 /nfs/dbraw/zinc/77/30/17/1094773017.db2.gz NCAKEAWDJNXRQY-OAHLLOKOSA-N 0 3 313.401 3.467 20 30 DGEDHN C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001103901226 1094794538 /nfs/dbraw/zinc/79/45/38/1094794538.db2.gz RRYPKSVVDLJWJY-HZPDHXFCSA-N 0 3 316.445 3.046 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC001121882549 1094812278 /nfs/dbraw/zinc/81/22/78/1094812278.db2.gz JCZUQONAVGJIMG-QRTARXTBSA-N 0 3 304.409 3.214 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001121933254 1094832852 /nfs/dbraw/zinc/83/28/52/1094832852.db2.gz KTLFMUNVYXZBPU-IRXDYDNUSA-N 0 3 304.409 3.043 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 ZINC001121965997 1094848508 /nfs/dbraw/zinc/84/85/08/1094848508.db2.gz OOZPLZKPCQGXAC-HOCLYGCPSA-N 0 3 312.417 3.115 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC001121967412 1094851292 /nfs/dbraw/zinc/85/12/92/1094851292.db2.gz WQMPJSZAIWCHBP-AWEZNQCLSA-N 0 3 306.381 3.237 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)[C@@H](C)CC)C2 ZINC001121975068 1094853411 /nfs/dbraw/zinc/85/34/11/1094853411.db2.gz KWHGESDQYRHBMA-YULYLDDOSA-N 0 3 312.885 3.438 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001337105538 1094854528 /nfs/dbraw/zinc/85/45/28/1094854528.db2.gz MNKDXAFOIKVCPB-GFCCVEGCSA-N 0 3 321.635 3.122 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cnc(Cl)cc1OC ZINC001218757744 1094863026 /nfs/dbraw/zinc/86/30/26/1094863026.db2.gz WDGLSOJHASNYJX-NSHDSACASA-N 0 3 311.813 3.146 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2cc(OCCC)ccc2C1 ZINC001122050674 1094884463 /nfs/dbraw/zinc/88/44/63/1094884463.db2.gz VCMSGLNWYJOIIN-GOSISDBHSA-N 0 3 316.445 3.044 20 30 DGEDHN N#Cc1nc2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc2s1 ZINC001218911040 1094903639 /nfs/dbraw/zinc/90/36/39/1094903639.db2.gz VSEMMEXDGHBBIK-HNNXBMFYSA-N 0 3 314.414 3.014 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc(OCCOC)c1 ZINC001218950582 1094911899 /nfs/dbraw/zinc/91/18/99/1094911899.db2.gz AFUUDVFPCYGBKF-KRWDZBQOSA-N 0 3 320.433 3.114 20 30 DGEDHN CCCCCCCCCC(=O)N1CCO[C@@H]2CN(C(C)C)C[C@@H]21 ZINC001219008378 1094926313 /nfs/dbraw/zinc/92/63/13/1094926313.db2.gz GSGZGHMACKUZBH-ZWKOTPCHSA-N 0 3 324.509 3.447 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001122291275 1094944667 /nfs/dbraw/zinc/94/46/67/1094944667.db2.gz PFHJRPPJPSGACN-BZSNNMDCSA-N 0 3 313.445 3.240 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC[C@H](C)CCC)C1 ZINC001111761684 1094959016 /nfs/dbraw/zinc/95/90/16/1094959016.db2.gz HAHFZODCUMLZTE-AOIWGVFYSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C[C@@H]1C[C@]1(N)C(=O)Nc1cc(C2CCCCC2)ccc1O ZINC001219398217 1094971309 /nfs/dbraw/zinc/97/13/09/1094971309.db2.gz HCPSFSRRNOOAJX-RDTXWAMCSA-N 0 3 300.402 3.282 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001111941127 1095017430 /nfs/dbraw/zinc/01/74/30/1095017430.db2.gz FVUXZQMNJJJJJN-UWVAXJGDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCCC)c(OC)c2)C1 ZINC001337727496 1095073538 /nfs/dbraw/zinc/07/35/38/1095073538.db2.gz AXFJLJQLBOGVCK-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN CCc1cc(OC)ccc1NC(=N)c1ccc(C(=O)OC)cc1 ZINC001170985375 1095079655 /nfs/dbraw/zinc/07/96/55/1095079655.db2.gz RJHHYWHTZHDVAR-UHFFFAOYSA-N 0 3 312.369 3.081 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(OC)cc1F ZINC001220392166 1095091031 /nfs/dbraw/zinc/09/10/31/1095091031.db2.gz XXCUHZXLBLRKIB-GUYCJALGSA-N 0 3 322.424 3.475 20 30 DGEDHN C=CCCOCCCCC(=O)NCCC1=CCN(CC=C)CC1 ZINC001160142473 1095098447 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C#CCN1CC[C@@H]2CCN(C(=O)CCC[C@@H](C)CCC)C[C@@H]21 ZINC001222763915 1095746397 /nfs/dbraw/zinc/74/63/97/1095746397.db2.gz YHNXXTZZVBMVRF-KSZLIROESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCCC[C@H](N)C(=O)NCCc1c[nH]c2c1cccc2CC ZINC001339921848 1095781827 /nfs/dbraw/zinc/78/18/27/1095781827.db2.gz ALRMPPWHQICUEV-KRWDZBQOSA-N 0 3 313.445 3.073 20 30 DGEDHN Cc1noc(C2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)n1 ZINC001171229441 1095859938 /nfs/dbraw/zinc/85/99/38/1095859938.db2.gz NPMCTWLJSSBAKN-CYBMUJFWSA-N 0 3 310.401 3.060 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@@H]21 ZINC001223101908 1095871501 /nfs/dbraw/zinc/87/15/01/1095871501.db2.gz UFYMOEHGNJGPDA-MSOLQXFVSA-N 0 3 316.489 3.149 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)CC(C)(C)CC(F)F)C2)C1 ZINC001276870846 1095897841 /nfs/dbraw/zinc/89/78/41/1095897841.db2.gz ZTZYMULMAGYFGW-UHFFFAOYSA-N 0 3 314.420 3.168 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccoc2C(C)C)C1 ZINC001091384832 1095927542 /nfs/dbraw/zinc/92/75/42/1095927542.db2.gz 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1096503431 /nfs/dbraw/zinc/50/34/31/1096503431.db2.gz FSTABECUKDBKIN-MAUBAPBLSA-N 0 3 314.473 3.069 20 30 DGEDHN COc1ccc(C#N)cc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001225684824 1096504073 /nfs/dbraw/zinc/50/40/73/1096504073.db2.gz UKRVXIITWITSJI-QGZVFWFLSA-N 0 3 308.381 3.220 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCC3(C)C)C2)CC1 ZINC001086937525 1096514655 /nfs/dbraw/zinc/51/46/55/1096514655.db2.gz RIYVXGZKXZKKMQ-DLBZAZTESA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001277082238 1096560104 /nfs/dbraw/zinc/56/01/04/1096560104.db2.gz SYBGUOMDEBNYFW-MQMHXKEQSA-N 0 3 318.804 3.283 20 30 DGEDHN C=C1CCC(C(=O)N2C[C@H]3CN(C[C@@H](F)CC)C[C@@]3(C)C2)CC1 ZINC001091978880 1096564441 /nfs/dbraw/zinc/56/44/41/1096564441.db2.gz JGSDRNWRYXEFCQ-AOIWGVFYSA-N 0 3 322.468 3.261 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@]2(C)C1 ZINC001092214761 1096587090 /nfs/dbraw/zinc/58/70/90/1096587090.db2.gz RZYJNQQMCZYOBP-MLYOOKFZSA-N 0 3 316.489 3.006 20 30 DGEDHN CCCCCCCN1CCC(NC(=O)CCCC(C)=O)CC1 ZINC001226052534 1096598866 /nfs/dbraw/zinc/59/88/66/1096598866.db2.gz HAIJGTZESOPLFW-UHFFFAOYSA-N 0 3 310.482 3.297 20 30 DGEDHN C=CCCCCC[NH+]1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001226068871 1096603094 /nfs/dbraw/zinc/60/30/94/1096603094.db2.gz HASYWPLZSOXPRJ-UHFFFAOYSA-N 0 3 316.445 3.333 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C=C)c1ccccc1)C2 ZINC001110134083 1096619843 /nfs/dbraw/zinc/61/98/43/1096619843.db2.gz MESKXUIBUMHPIX-RNQOJCNYSA-N 0 3 322.452 3.091 20 30 DGEDHN C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)c1ccccc1 ZINC001110136473 1096633207 /nfs/dbraw/zinc/63/32/07/1096633207.db2.gz DIOZIOQWIPIQBR-BDXSIMOUSA-N 0 3 316.420 3.037 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C)s1 ZINC001277106567 1096634239 /nfs/dbraw/zinc/63/42/39/1096634239.db2.gz JFXWCOOFWCIXQD-LLVKDONJSA-N 0 3 300.855 3.297 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC001093352597 1096678815 /nfs/dbraw/zinc/67/88/15/1096678815.db2.gz KZFSMFYGXOFNBN-LJQANCHMSA-N 0 3 322.452 3.027 20 30 DGEDHN C=CCCC(=O)NC1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC001226528116 1096714323 /nfs/dbraw/zinc/71/43/23/1096714323.db2.gz VEQDYQREVOIQRV-UHFFFAOYSA-N 0 3 316.445 3.050 20 30 DGEDHN CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226640587 1096739666 /nfs/dbraw/zinc/73/96/66/1096739666.db2.gz OZKPZAZSADMARR-GUYCJALGSA-N 0 3 317.408 3.017 20 30 DGEDHN C=CCCCCCCCCN1CC[C@@H](C(N)=O)n2nccc2C1 ZINC001277171186 1096819086 /nfs/dbraw/zinc/81/90/86/1096819086.db2.gz WKEJXGSPVPGKBM-KRWDZBQOSA-N 0 3 318.465 3.032 20 30 DGEDHN C#CCCCCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001226951867 1096825755 /nfs/dbraw/zinc/82/57/55/1096825755.db2.gz LDHABTBSFPFRNG-UHFFFAOYSA-N 0 3 318.486 3.331 20 30 DGEDHN N#Cc1ccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)cc1Cl ZINC001227204645 1096893294 /nfs/dbraw/zinc/89/32/94/1096893294.db2.gz RQIYXZMFMICKRT-SHTZXODSSA-N 0 3 320.820 3.234 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc2occc2[nH]1 ZINC001277201236 1096918457 /nfs/dbraw/zinc/91/84/57/1096918457.db2.gz QJDAQORSBWLYSC-LLVKDONJSA-N 0 3 309.797 3.002 20 30 DGEDHN CCC[C@@H](CC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001277208773 1096931921 /nfs/dbraw/zinc/93/19/21/1096931921.db2.gz HSIYKTMOMOQRIS-QGZVFWFLSA-N 0 3 313.445 3.123 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CCCC[C@H](C)CC)CC1 ZINC001227547063 1096949282 /nfs/dbraw/zinc/94/92/82/1096949282.db2.gz RUYSGCADZCEIIM-QGZVFWFLSA-N 0 3 324.509 3.376 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN(Cc2ccc(OC)cc2)CC1 ZINC001227588534 1096955857 /nfs/dbraw/zinc/95/58/57/1096955857.db2.gz PHUATEQFAZSGOK-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1cc(C)no1 ZINC001171823029 1096975154 /nfs/dbraw/zinc/97/51/54/1096975154.db2.gz WRLDSFPOUYCHTA-UHFFFAOYSA-N 0 3 309.454 3.330 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC001171841375 1096989611 /nfs/dbraw/zinc/98/96/11/1096989611.db2.gz OCUFFBUGJIHBPT-QGZVFWFLSA-N 0 3 312.457 3.470 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)N[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172013807 1097018771 /nfs/dbraw/zinc/01/87/71/1097018771.db2.gz RYZVDZDUJZJOMB-CABCVRRESA-N 0 3 314.429 3.055 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001227967396 1097021453 /nfs/dbraw/zinc/02/14/53/1097021453.db2.gz LQZBPZFNTPZUGW-HZPDHXFCSA-N 0 3 315.461 3.119 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001228111776 1097052686 /nfs/dbraw/zinc/05/26/86/1097052686.db2.gz FCNBOBCLUXXZPQ-KBRIMQKVSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(F)F)CCC1 ZINC001228167107 1097066215 /nfs/dbraw/zinc/06/62/15/1097066215.db2.gz GSAHXUXZMQGPAZ-VXGBXAGGSA-N 0 3 320.811 3.191 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NC(=N)c1ccc2ccccc2n1 ZINC001172298610 1097109582 /nfs/dbraw/zinc/10/95/82/1097109582.db2.gz ZCAHSHOWGQQYTO-AWEZNQCLSA-N 0 3 314.392 3.443 20 30 DGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(CC(F)(F)F)cn1 ZINC001172298909 1097109656 /nfs/dbraw/zinc/10/96/56/1097109656.db2.gz GPZWBNOACCRXSP-LBPRGKRZSA-N 0 3 322.334 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001228413539 1097115716 /nfs/dbraw/zinc/11/57/16/1097115716.db2.gz NIWKLTQCXHQPPL-JFIYKMOQSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228413902 1097116741 /nfs/dbraw/zinc/11/67/41/1097116741.db2.gz VNUVMXMOTNYQJM-LMMKCTJWSA-N 0 3 315.461 3.201 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001228622397 1097155248 /nfs/dbraw/zinc/15/52/48/1097155248.db2.gz SXOVORBKWKFMAL-UHFFFAOYSA-N 0 3 318.436 3.427 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001228631182 1097155808 /nfs/dbraw/zinc/15/58/08/1097155808.db2.gz FXIMIIVYCGPSRG-UHFFFAOYSA-N 0 3 306.475 3.349 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C1CC1)C1CC1)C2 ZINC001110165339 1097159491 /nfs/dbraw/zinc/15/94/91/1097159491.db2.gz MCSUFAFCCXEVMV-NJAFHUGGSA-N 0 3 302.462 3.110 20 30 DGEDHN C[C@H](CCCC#N)N1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001172506840 1097174356 /nfs/dbraw/zinc/17/43/56/1097174356.db2.gz KJLWLJJOGCMIKJ-GHMZBOCLSA-N 0 3 316.327 3.350 20 30 DGEDHN CCCC[C@H]1C[C@@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172624626 1097207306 /nfs/dbraw/zinc/20/73/06/1097207306.db2.gz XQDLWPGYFXSDCE-GJZGRUSLSA-N 0 3 309.454 3.448 20 30 DGEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC001204097994 1097218221 /nfs/dbraw/zinc/21/82/21/1097218221.db2.gz QPEPLFDEEZMVHL-GOSISDBHSA-N 0 3 308.381 3.307 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)(F)F ZINC001277345535 1097228706 /nfs/dbraw/zinc/22/87/06/1097228706.db2.gz LJWCVJYQGFVIDU-KGLIPLIRSA-N 0 3 300.393 3.063 20 30 DGEDHN CN1CC[C@H](Oc2nc(-c3ccc(Cl)cc3)ccc2C#N)C1 ZINC001229287866 1097290300 /nfs/dbraw/zinc/29/03/00/1097290300.db2.gz WOUGJDSGRZHRFP-HNNXBMFYSA-N 0 3 313.788 3.357 20 30 DGEDHN CN(C)CCC(=O)c1ccc(OC2CCC(C#N)CC2)cc1 ZINC001229307188 1097293221 /nfs/dbraw/zinc/29/32/21/1097293221.db2.gz UBIMDEHUGJPRKX-UHFFFAOYSA-N 0 3 300.402 3.282 20 30 DGEDHN C=CCOCCN1CCC(NC(=O)CC2CCCCCC2)CC1 ZINC001229364366 1097305980 /nfs/dbraw/zinc/30/59/80/1097305980.db2.gz VZEPAXRMIOOMBS-UHFFFAOYSA-N 0 3 322.493 3.130 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Oc1nnccc1C#N ZINC001229603768 1097351366 /nfs/dbraw/zinc/35/13/66/1097351366.db2.gz FDSPDPJNRMIIFZ-KRWDZBQOSA-N 0 3 322.412 3.028 20 30 DGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CC[C@@H](CC)C1 ZINC001173276686 1097409593 /nfs/dbraw/zinc/40/95/93/1097409593.db2.gz DDWKKOITLKEJLJ-HLLBOEOZSA-N 0 3 303.450 3.101 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001229955991 1097417081 /nfs/dbraw/zinc/41/70/81/1097417081.db2.gz FAQJDLWSKSGKGV-VXGBXAGGSA-N 0 3 322.827 3.437 20 30 DGEDHN N#CCC1CCC(n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001173337114 1097422045 /nfs/dbraw/zinc/42/20/45/1097422045.db2.gz ZTXNIAQJZUJEQI-UHFFFAOYSA-N 0 3 312.339 3.193 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001491554469 1097436935 /nfs/dbraw/zinc/43/69/35/1097436935.db2.gz MDGYQWNIACMEPV-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN CC1(C#N)CCC(N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC001173596051 1097467298 /nfs/dbraw/zinc/46/72/98/1097467298.db2.gz HXFOXXSVVJHMIZ-UHFFFAOYSA-N 0 3 315.436 3.416 20 30 DGEDHN C=CCN1CCC(NC(=O)CCCc2cc(C)ccc2C)CC1 ZINC001230324769 1097475760 /nfs/dbraw/zinc/47/57/60/1097475760.db2.gz ZUEBYJZLLVCBPN-UHFFFAOYSA-N 0 3 314.473 3.393 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC001230578555 1097517725 /nfs/dbraw/zinc/51/77/25/1097517725.db2.gz LTJGPDHRXCCEKR-INIZCTEOSA-N 0 3 303.450 3.198 20 30 DGEDHN COCCN1CCC(Oc2c(C#N)cccc2C(C)(C)C)CC1 ZINC001230636106 1097541695 /nfs/dbraw/zinc/54/16/95/1097541695.db2.gz CNMIKMNTGIFZJL-UHFFFAOYSA-N 0 3 316.445 3.345 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001230815917 1097596373 /nfs/dbraw/zinc/59/63/73/1097596373.db2.gz XEMOSWYMAWWDNY-INIZCTEOSA-N 0 3 309.498 3.495 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C1(C)CCC1)Cc1cccnc1 ZINC001230818529 1097597233 /nfs/dbraw/zinc/59/72/33/1097597233.db2.gz ULIBUJJBXCYNCC-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCCC3CCCC3)C2)C1 ZINC001277473358 1097629504 /nfs/dbraw/zinc/62/95/04/1097629504.db2.gz DELYFXJNEGDYIC-FQEVSTJZSA-N 0 3 316.489 3.295 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230978590 1097636360 /nfs/dbraw/zinc/63/63/60/1097636360.db2.gz YOMRLMPGCCLUID-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001231024218 1097649609 /nfs/dbraw/zinc/64/96/09/1097649609.db2.gz CAGSSBKBJOFKPY-IAGOWNOFSA-N 0 3 312.498 3.305 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231088478 1097665956 /nfs/dbraw/zinc/66/59/56/1097665956.db2.gz ZBAXSOPNEIPYAQ-AEFFLSMTSA-N 0 3 324.509 3.305 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001231101311 1097669172 /nfs/dbraw/zinc/66/91/72/1097669172.db2.gz BCQXNIAWQGQOFS-AEFFLSMTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001231131360 1097677127 /nfs/dbraw/zinc/67/71/27/1097677127.db2.gz MZCSMZOUDAFCRP-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCCCOC ZINC001231132304 1097678515 /nfs/dbraw/zinc/67/85/15/1097678515.db2.gz SAFACBGKNQUMCT-KRWDZBQOSA-N 0 3 312.498 3.306 20 30 DGEDHN CC[C@H](F)CN1CCC2(CCN(C(=O)C#CC(C)(C)C)C2)CC1 ZINC001277490341 1097680462 /nfs/dbraw/zinc/68/04/62/1097680462.db2.gz PSTMUDLVABKCCJ-INIZCTEOSA-N 0 3 322.468 3.099 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC1CCC(F)(F)CC1 ZINC001231170251 1097687340 /nfs/dbraw/zinc/68/73/40/1097687340.db2.gz OCQOPBIGSCTUJB-HNNXBMFYSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ncoc1CC ZINC001231344094 1097725849 /nfs/dbraw/zinc/72/58/49/1097725849.db2.gz YWVWIWRQPZBPDD-HNNXBMFYSA-N 0 3 319.449 3.130 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC2(CCC(C)(C)O2)CC1 ZINC001231620436 1097792625 /nfs/dbraw/zinc/79/26/25/1097792625.db2.gz BEUURIQFJYGASV-UHFFFAOYSA-N 0 3 314.429 3.490 20 30 DGEDHN C#CCN(Cc1cc(OC)c(O)cc1O)[C@@H]1CCc2ccccc21 ZINC001231636533 1097796934 /nfs/dbraw/zinc/79/69/34/1097796934.db2.gz XLSTYOFQAUTGMH-QGZVFWFLSA-N 0 3 323.392 3.229 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CCC(=O)N3CC3CC3)CC2)c1 ZINC001231655614 1097805083 /nfs/dbraw/zinc/80/50/83/1097805083.db2.gz SGHFTTOCAAFYRS-UHFFFAOYSA-N 0 3 322.452 3.035 20 30 DGEDHN C#Cc1cccc(CN2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC001231655980 1097805148 /nfs/dbraw/zinc/80/51/48/1097805148.db2.gz CYLPWQOYPHLCKM-UHFFFAOYSA-N 0 3 316.404 3.154 20 30 DGEDHN C#Cc1cccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001231659878 1097805691 /nfs/dbraw/zinc/80/56/91/1097805691.db2.gz VOWUCJBBBUQBPI-QGZVFWFLSA-N 0 3 314.429 3.109 20 30 DGEDHN C#Cc1cccc(CN2CCC(Oc3cc(C)ccn3)CC2)c1 ZINC001231664594 1097809714 /nfs/dbraw/zinc/80/97/14/1097809714.db2.gz SYEYAYRHGOFWPH-UHFFFAOYSA-N 0 3 306.409 3.415 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)CC(C)(C)CC(F)(F)F ZINC001174706813 1097814409 /nfs/dbraw/zinc/81/44/09/1097814409.db2.gz XPMKGCSCEMLKGZ-UHFFFAOYSA-N 0 3 314.779 3.204 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CCc3cc(O)ccc3C2)cc1 ZINC001231816684 1097853625 /nfs/dbraw/zinc/85/36/25/1097853625.db2.gz RHWDBCKAKKFJJR-UHFFFAOYSA-N 0 3 321.424 3.300 20 30 DGEDHN C=C(C)Nc1cccc(CN2CCC(C(=O)OCC)CC2)c1 ZINC001174795457 1097855428 /nfs/dbraw/zinc/85/54/28/1097855428.db2.gz VQRODILHOOHNRM-UHFFFAOYSA-N 0 3 302.418 3.407 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001174849885 1097867508 /nfs/dbraw/zinc/86/75/08/1097867508.db2.gz RCAOYIQXXRDIAA-GJZGRUSLSA-N 0 3 321.465 3.350 20 30 DGEDHN C=CC[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC001174890207 1097869325 /nfs/dbraw/zinc/86/93/25/1097869325.db2.gz FKIHBEHLWRPRNH-HKUYNNGSSA-N 0 3 314.473 3.440 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001175081479 1097940693 /nfs/dbraw/zinc/94/06/93/1097940693.db2.gz GXTWECZRTVLVCR-RDTXWAMCSA-N 0 3 321.465 3.350 20 30 DGEDHN N#Cc1ccc(CC2CCN(Cc3[nH]nc4c3CCC4)CC2)cc1 ZINC001232429450 1098035776 /nfs/dbraw/zinc/03/57/76/1098035776.db2.gz QAIYNPJPKCGUIZ-UHFFFAOYSA-N 0 3 320.440 3.225 20 30 DGEDHN N#Cc1ccnc(CN2CCC3(CCc4ccccc43)CC2)c1 ZINC001232479004 1098052376 /nfs/dbraw/zinc/05/23/76/1098052376.db2.gz YWXGIHIUCVRNBO-UHFFFAOYSA-N 0 3 303.409 3.433 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](CNCc1ccns1)C1CC1 ZINC001277692414 1098102253 /nfs/dbraw/zinc/10/22/53/1098102253.db2.gz BTVQKXYWXCACJX-NVXWUHKLSA-N 0 3 321.490 3.072 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC001232844971 1098151834 /nfs/dbraw/zinc/15/18/34/1098151834.db2.gz GYMLEXFKTDHHJZ-LPHOPBHVSA-N 0 3 323.465 3.326 20 30 DGEDHN Cc1cccc(O[C@H]2CCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC001233083457 1098222215 /nfs/dbraw/zinc/22/22/15/1098222215.db2.gz LOOAZOAMGMXMOS-SFHVURJKSA-N 0 3 307.397 3.223 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2ccccn2)CC1 ZINC001233081481 1098222851 /nfs/dbraw/zinc/22/28/51/1098222851.db2.gz XRUUYMJIKNBEPU-UHFFFAOYSA-N 0 3 307.397 3.305 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCCN(c2ccc(F)cn2)CC1 ZINC001233080793 1098222944 /nfs/dbraw/zinc/22/29/44/1098222944.db2.gz XDEUWOCWQVWFOY-UHFFFAOYSA-N 0 3 324.403 3.113 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1sc(C(C)C)nc1C ZINC001176027405 1098235908 /nfs/dbraw/zinc/23/59/08/1098235908.db2.gz ZFPJBKKHLIWRHD-UHFFFAOYSA-N 0 3 315.870 3.037 20 30 DGEDHN C#CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001176071441 1098241594 /nfs/dbraw/zinc/24/15/94/1098241594.db2.gz YRAYOHFODHAHAC-LSDHHAIUSA-N 0 3 318.848 3.205 20 30 DGEDHN C=CCCCCN1CCc2nc(C(=O)NC(C)(C)C)ccc2C1 ZINC001277787905 1098361293 /nfs/dbraw/zinc/36/12/93/1098361293.db2.gz ADTUUPKNQKQVST-UHFFFAOYSA-N 0 3 315.461 3.324 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H]1CCCCO1 ZINC001233662107 1098402552 /nfs/dbraw/zinc/40/25/52/1098402552.db2.gz CAEPIQYMFCCNJB-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN C=C(Cl)CN(CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176933092 1098451957 /nfs/dbraw/zinc/45/19/57/1098451957.db2.gz URCNPMWDSWEPCQ-UHFFFAOYSA-N 0 3 302.846 3.460 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233730255 1098417492 /nfs/dbraw/zinc/41/74/92/1098417492.db2.gz IRULCOLWUCWIDZ-HOTGVXAUSA-N 0 3 312.523 3.407 20 30 DGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001233760901 1098425656 /nfs/dbraw/zinc/42/56/56/1098425656.db2.gz DUBYSMDFLQHBCB-LJQANCHMSA-N 0 3 312.457 3.221 20 30 DGEDHN Cc1ccc(CN(C)CCCC(=O)OC(C)(C)C)cc1C#N ZINC001176787772 1098431732 /nfs/dbraw/zinc/43/17/32/1098431732.db2.gz KZJOFINXUXHSSU-UHFFFAOYSA-N 0 3 302.418 3.420 20 30 DGEDHN C=CCCCN(CC)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC001176797674 1098433025 /nfs/dbraw/zinc/43/30/25/1098433025.db2.gz CEJMEAOJSUNUPT-UHFFFAOYSA-N 0 3 317.433 3.240 20 30 DGEDHN N#Cc1ccnc(CN2CCCC[C@@H]2Cc2ccc(O)cc2)c1 ZINC001176879810 1098446883 /nfs/dbraw/zinc/44/68/83/1098446883.db2.gz PFXBPBGDKFFPID-GOSISDBHSA-N 0 3 307.397 3.256 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H](CC)c1ccccc1 ZINC001233914850 1098456045 /nfs/dbraw/zinc/45/60/45/1098456045.db2.gz GTAYDVALGYBVMK-MOPGFXCFSA-N 0 3 312.457 3.474 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1nccn1CC ZINC001233927034 1098459469 /nfs/dbraw/zinc/45/94/69/1098459469.db2.gz VCUPFFCETOLNNZ-MRXNPFEDSA-N 0 3 320.481 3.020 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC1(OC)CCC1 ZINC001233959206 1098466413 /nfs/dbraw/zinc/46/64/13/1098466413.db2.gz YSKSDVHZQSETBH-QGZVFWFLSA-N 0 3 324.509 3.449 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233989899 1098472496 /nfs/dbraw/zinc/47/24/96/1098472496.db2.gz FNSSCZGTIYDDFO-INIZCTEOSA-N 0 3 303.450 3.216 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234001385 1098474373 /nfs/dbraw/zinc/47/43/73/1098474373.db2.gz FGCBJLJFHFGBRB-GOEBONIOSA-N 0 3 304.434 3.397 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001234004741 1098475229 /nfs/dbraw/zinc/47/52/29/1098475229.db2.gz YGPGNFNEBLFNMN-ILXRZTDVSA-N 0 3 316.436 3.391 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001277834789 1098504124 /nfs/dbraw/zinc/50/41/24/1098504124.db2.gz GWTIFLABIKQPHV-LBPRGKRZSA-N 0 3 309.479 3.053 20 30 DGEDHN CC1=CC(=O)C[C@H](c2ccc(O[C@@H]3CN4CCC3CC4)cc2)O1 ZINC001234159109 1098506634 /nfs/dbraw/zinc/50/66/34/1098506634.db2.gz LUHNNKYTRXSLAQ-RTBURBONSA-N 0 3 313.397 3.094 20 30 DGEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccccc1F)CC2 ZINC001203353910 1098508886 /nfs/dbraw/zinc/50/88/86/1098508886.db2.gz IGPXUPMYRXAHIK-LJQANCHMSA-N 0 3 316.420 3.359 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCOCC1CC1 ZINC001234297394 1098531408 /nfs/dbraw/zinc/53/14/08/1098531408.db2.gz TZTJUFQKQLOQLP-GOSISDBHSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001234313579 1098534580 /nfs/dbraw/zinc/53/45/80/1098534580.db2.gz DWWIYPASFSQQFS-IAGOWNOFSA-N 0 3 304.478 3.456 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC001177482662 1098540056 /nfs/dbraw/zinc/54/00/56/1098540056.db2.gz JKLXNQMZUKNEPM-UHFFFAOYSA-N 0 3 324.827 3.168 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC[C@H]1CCCCO1 ZINC001234536016 1098586761 /nfs/dbraw/zinc/58/67/61/1098586761.db2.gz AWQIBANRVFRSGJ-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001234555906 1098597624 /nfs/dbraw/zinc/59/76/24/1098597624.db2.gz ZCMQAOTWQKKNBW-AWEZNQCLSA-N 0 3 300.874 3.488 20 30 DGEDHN Cn1c(CNCc2ccc(OCC#N)cc2)cc2ccccc21 ZINC001177764783 1098603163 /nfs/dbraw/zinc/60/31/63/1098603163.db2.gz KSVXZAOXDMEGHM-UHFFFAOYSA-N 0 3 305.381 3.370 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001234605070 1098616549 /nfs/dbraw/zinc/61/65/49/1098616549.db2.gz ZEYUBAADFSDSDM-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001234604278 1098616773 /nfs/dbraw/zinc/61/67/73/1098616773.db2.gz NFEDFLUHLBRZSL-GOSISDBHSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1nc(C)cs1 ZINC001178018368 1098679283 /nfs/dbraw/zinc/67/92/83/1098679283.db2.gz QGTMZPUKUQKCJJ-UHFFFAOYSA-N 0 3 309.479 3.184 20 30 DGEDHN CC(C)=C(C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001277906387 1098703846 /nfs/dbraw/zinc/70/38/46/1098703846.db2.gz BNMIKGORXXKDRM-SFHVURJKSA-N 0 3 312.457 3.221 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc(CCC)c(C)s1 ZINC001280881827 1098774192 /nfs/dbraw/zinc/77/41/92/1098774192.db2.gz XXMVILMNCUQIGP-UHFFFAOYSA-N 0 3 306.475 3.036 20 30 DGEDHN CCCC1(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)CC1 ZINC001277928041 1098846777 /nfs/dbraw/zinc/84/67/77/1098846777.db2.gz BORMCBFODOZMKL-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1conc1C(C)C ZINC001235243887 1098915702 /nfs/dbraw/zinc/91/57/02/1098915702.db2.gz JSAFMHFUFKDZLD-LSDHHAIUSA-N 0 3 319.449 3.299 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)CC1 ZINC001277930190 1098920697 /nfs/dbraw/zinc/92/06/97/1098920697.db2.gz XJVKYIXGKFKQLF-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(C)C(=O)c2nccs2)C1 ZINC001494864236 1098993772 /nfs/dbraw/zinc/99/37/72/1098993772.db2.gz WEYYGMPAEZVXJO-CQSZACIVSA-N 0 3 307.463 3.036 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1csc(C)n1 ZINC001179230101 1099042764 /nfs/dbraw/zinc/04/27/64/1099042764.db2.gz GYIAPTFOESWHIY-UHFFFAOYSA-N 0 3 323.506 3.430 20 30 DGEDHN N#Cc1ccccc1CNCCCCCCNC(=O)CCCF ZINC001179268820 1099046351 /nfs/dbraw/zinc/04/63/51/1099046351.db2.gz BSJXFJBEMXMILM-UHFFFAOYSA-N 0 3 319.424 3.074 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C/C=C\c1cccc(F)c1 ZINC001235471632 1099055681 /nfs/dbraw/zinc/05/56/81/1099055681.db2.gz OGFGTPKKMCFAIO-POZKEBTKSA-N 0 3 316.420 3.338 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179306577 1099056562 /nfs/dbraw/zinc/05/65/62/1099056562.db2.gz IJCKTXCUTGQMEK-LSDHHAIUSA-N 0 3 321.465 3.207 20 30 DGEDHN C=CCCC(=O)NCCCN(C)Cc1cccc(C(C)C)n1 ZINC001235481245 1099061442 /nfs/dbraw/zinc/06/14/42/1099061442.db2.gz USWIUKVSQSBUEK-UHFFFAOYSA-N 0 3 303.450 3.109 20 30 DGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001179278718 1099063392 /nfs/dbraw/zinc/06/33/92/1099063392.db2.gz YFFHIVGKYJQRSV-CYBMUJFWSA-N 0 3 322.364 3.396 20 30 DGEDHN CCc1nnc(C2CCN(Cc3ccccc3CC#N)CC2)o1 ZINC001235528080 1099073450 /nfs/dbraw/zinc/07/34/50/1099073450.db2.gz MBQNYUGMGDQXMQ-UHFFFAOYSA-N 0 3 310.401 3.078 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179340319 1099077303 /nfs/dbraw/zinc/07/73/03/1099077303.db2.gz YYDAVYPDWSSLHC-HNNXBMFYSA-N 0 3 321.465 3.352 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001179388447 1099090509 /nfs/dbraw/zinc/09/05/09/1099090509.db2.gz HDGUSSIVCWDGAF-DZKIICNBSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001179455294 1099105711 /nfs/dbraw/zinc/10/57/11/1099105711.db2.gz WSGZCACUPZGJCW-BBRMVZONSA-N 0 3 317.458 3.055 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCCCCCNCc1ocnc1C ZINC001179482146 1099113283 /nfs/dbraw/zinc/11/32/83/1099113283.db2.gz QCEQRYQTEYNQGS-SFHVURJKSA-N 0 3 321.465 3.352 20 30 DGEDHN C#C[C@H]1CC[C@H](NCc2cc(O)ccc2Br)CC1 ZINC001179507072 1099126633 /nfs/dbraw/zinc/12/66/33/1099126633.db2.gz NYADTCUXVIDPSB-AULYBMBSSA-N 0 3 308.219 3.436 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(F)cc1F ZINC001235698227 1099135058 /nfs/dbraw/zinc/13/50/58/1099135058.db2.gz AMQFBUBAKVNKPI-CQSZACIVSA-N 0 3 322.399 3.386 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001235757350 1099167346 /nfs/dbraw/zinc/16/73/46/1099167346.db2.gz GREOJOYXOSKPTK-INIZCTEOSA-N 0 3 320.864 3.300 20 30 DGEDHN CC#CC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001179754317 1099199577 /nfs/dbraw/zinc/19/95/77/1099199577.db2.gz AHTSYHPXXHSXCY-KRWDZBQOSA-N 0 3 304.393 3.226 20 30 DGEDHN N#Cc1cccc(CN2CCN[C@H](c3ccccc3)C2)c1Cl ZINC001235852924 1099212129 /nfs/dbraw/zinc/21/21/29/1099212129.db2.gz JCWMUHWZICBQMT-KRWDZBQOSA-N 0 3 311.816 3.358 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001110233380 1099245194 /nfs/dbraw/zinc/24/51/94/1099245194.db2.gz HOBZNOODQZBRCK-MCIONIFRSA-N 0 3 300.393 3.110 20 30 DGEDHN CC#CCNCCN(CC)C(=O)CC1CC(c2ccccc2)C1 ZINC001273465187 1099411414 /nfs/dbraw/zinc/41/14/14/1099411414.db2.gz ARUVPAVHCDZBGY-UHFFFAOYSA-N 0 3 312.457 3.032 20 30 DGEDHN Cc1nc(C#N)cc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236471687 1099631292 /nfs/dbraw/zinc/63/12/92/1099631292.db2.gz DPWMVPWCKYCRFF-MOPGFXCFSA-N 0 3 316.408 3.477 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001188039916 1099658693 /nfs/dbraw/zinc/65/86/93/1099658693.db2.gz LUYKJRTVLMQQSR-IAGOWNOFSA-N 0 3 318.848 3.047 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@@H](NC/C=C/Cl)C1)c1ccccc1 ZINC001188040660 1099660888 /nfs/dbraw/zinc/66/08/88/1099660888.db2.gz UVXGREACZVRSDS-DUUASINPSA-N 0 3 318.848 3.289 20 30 DGEDHN C[C@H](CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001278006031 1099772248 /nfs/dbraw/zinc/77/22/48/1099772248.db2.gz OWGNKQUTQQHNAD-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN(CC=C)Cc1cc(OC)c(Br)cc1O ZINC001236754928 1099772386 /nfs/dbraw/zinc/77/23/86/1099772386.db2.gz XSFAIOYSRHJZFH-UHFFFAOYSA-N 0 3 312.207 3.337 20 30 DGEDHN C[C@H](CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)C1CC1 ZINC001278006029 1099772832 /nfs/dbraw/zinc/77/28/32/1099772832.db2.gz OWGNKQUTQQHNAD-XLIONFOSSA-N 0 3 324.468 3.055 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@H](CC)CC1CCCCC1 ZINC001273565270 1099802259 /nfs/dbraw/zinc/80/22/59/1099802259.db2.gz CVRHYQKSKGOFFB-GOSISDBHSA-N 0 3 306.494 3.397 20 30 DGEDHN Cc1ccc(Cl)cc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001188711357 1099832605 /nfs/dbraw/zinc/83/26/05/1099832605.db2.gz PJYABNAEPQRPRU-ZDUSSCGKSA-N 0 3 322.817 3.454 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(OC)c(C)c2)C1 ZINC001189319429 1100023185 /nfs/dbraw/zinc/02/31/85/1100023185.db2.gz ZMJUAIFFBJUVDT-QGZVFWFLSA-N 0 3 316.445 3.003 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C)c(CC)s1 ZINC001273584743 1100100337 /nfs/dbraw/zinc/10/03/37/1100100337.db2.gz WMAJQZGURKRQQA-UHFFFAOYSA-N 0 3 306.475 3.036 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189707132 1100116399 /nfs/dbraw/zinc/11/63/99/1100116399.db2.gz QVRHKIKPIOOQKD-XEDBTPMOSA-N 0 3 324.468 3.426 20 30 DGEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001189743441 1100120501 /nfs/dbraw/zinc/12/05/01/1100120501.db2.gz DILAUILYDZHIHW-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1ccc(F)cc1 ZINC001273589053 1100146409 /nfs/dbraw/zinc/14/64/09/1100146409.db2.gz YHXCFWUVAUEVFJ-SFHVURJKSA-N 0 3 306.425 3.366 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001189925693 1100151941 /nfs/dbraw/zinc/15/19/41/1100151941.db2.gz DXAYLSCXDWFJGR-CRAIPNDOSA-N 0 3 316.420 3.223 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001189925904 1100152584 /nfs/dbraw/zinc/15/25/84/1100152584.db2.gz HYDXGEUHCUKFBN-MAUKXSAKSA-N 0 3 316.420 3.223 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1c(C)cccc1CC ZINC001190004904 1100185265 /nfs/dbraw/zinc/18/52/65/1100185265.db2.gz PKWMGRJWEZYCLT-INIZCTEOSA-N 0 3 301.434 3.329 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190004565 1100185586 /nfs/dbraw/zinc/18/55/86/1100185586.db2.gz QARHPASIWGQGSP-MAUKXSAKSA-N 0 3 316.420 3.079 20 30 DGEDHN C#CCN(C(=O)C(C)C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001278122066 1100187204 /nfs/dbraw/zinc/18/72/04/1100187204.db2.gz WJLQGPVYLRZFRA-UHFFFAOYSA-N 0 3 312.457 3.077 20 30 DGEDHN Cc1cc(CN(C)[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)cs1 ZINC001190084859 1100201973 /nfs/dbraw/zinc/20/19/73/1100201973.db2.gz TUUJIEWUHJMFDS-MRXNPFEDSA-N 0 3 318.486 3.139 20 30 DGEDHN SC1CCN(Cc2ccccc2Oc2cnccn2)CC1 ZINC001238014330 1100326997 /nfs/dbraw/zinc/32/69/97/1100326997.db2.gz QQVSKOOIKDBCPU-UHFFFAOYSA-N 0 3 301.415 3.163 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)C1CCCCC1 ZINC001115122902 1100345857 /nfs/dbraw/zinc/34/58/57/1100345857.db2.gz GGIXXSPQAUFTOJ-VQFNDLOPSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCNC[C@H](NC(=O)/C(C)=C/C)c1ccc2ccccc2c1 ZINC001278207121 1100402710 /nfs/dbraw/zinc/40/27/10/1100402710.db2.gz PIWOBULJAJVJQL-SOSOSHEOSA-N 0 3 306.409 3.186 20 30 DGEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CC3(CCC3)C2)CC1 ZINC001191773931 1100509659 /nfs/dbraw/zinc/50/96/59/1100509659.db2.gz POOKSJQDFRSQRT-LJQANCHMSA-N 0 3 309.457 3.449 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191789714 1100522389 /nfs/dbraw/zinc/52/23/89/1100522389.db2.gz HYNFCCZMUMSDQJ-DDBXPCSUSA-N 0 3 323.440 3.113 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001191792270 1100522727 /nfs/dbraw/zinc/52/27/27/1100522727.db2.gz YVBDVPWKRIEIRA-WPBBSXQFSA-N 0 3 323.440 3.113 20 30 DGEDHN CCCCCCCCCCS(=O)(=O)N1CCNCC[C@@H]1C ZINC001238935230 1100559815 /nfs/dbraw/zinc/55/98/15/1100559815.db2.gz GHTVJTXQGUXGHA-INIZCTEOSA-N 0 3 318.527 3.141 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2ccc(C)cc2)C1 ZINC001192153552 1100578999 /nfs/dbraw/zinc/57/89/99/1100578999.db2.gz RFSOIIGDIMUVLU-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN CCCCCCCCCCOC(=O)N(C)C[C@H]1CNCCO1 ZINC001239328034 1100634205 /nfs/dbraw/zinc/63/42/05/1100634205.db2.gz HVFKQAHKKITQTG-MRXNPFEDSA-N 0 3 314.470 3.184 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192989505 1100685103 /nfs/dbraw/zinc/68/51/03/1100685103.db2.gz XFBQNWXJCTVEGB-ZWKOTPCHSA-N 0 3 324.509 3.328 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432487 1100745340 /nfs/dbraw/zinc/74/53/40/1100745340.db2.gz KMNATFZVKFYQGP-DLBZAZTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001193825522 1100819222 /nfs/dbraw/zinc/81/92/22/1100819222.db2.gz RBMGPJABFULTJT-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C#Cc1ccc(CN2CCC[C@@]23CCN(CC=C(C)C)C3=O)cc1 ZINC001273671352 1100878304 /nfs/dbraw/zinc/87/83/04/1100878304.db2.gz CSVWHKYZBKJLFX-NRFANRHFSA-N 0 3 322.452 3.201 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194192714 1100891435 /nfs/dbraw/zinc/89/14/35/1100891435.db2.gz WGRGRFWHWHMDGB-MRXNPFEDSA-N 0 3 324.509 3.184 20 30 DGEDHN C#CCC1(C(=O)N2CC[C@H](N(C)CC=C(C)C)C2)CCCCC1 ZINC001194367147 1100920717 /nfs/dbraw/zinc/92/07/17/1100920717.db2.gz CFIPDLDJOMTGCI-SFHVURJKSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)CCc2ccccc2)C1 ZINC001194381776 1100930719 /nfs/dbraw/zinc/93/07/19/1100930719.db2.gz NICJHIDCNFJRCT-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN Cc1cc(-c2cccc(CN3CCN(C)CC3)c2)cc(F)c1C#N ZINC001240298451 1100931493 /nfs/dbraw/zinc/93/14/93/1100931493.db2.gz BHXALQNIEHCGFH-UHFFFAOYSA-N 0 3 323.415 3.420 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](CC)OCC)CC1 ZINC001195063401 1101060881 /nfs/dbraw/zinc/06/08/81/1101060881.db2.gz NLYCJBBANMBUED-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CCCCCCC)CC1 ZINC001195124304 1101077816 /nfs/dbraw/zinc/07/78/16/1101077816.db2.gz BOALFLCZDJCPSI-SFHVURJKSA-N 0 3 324.509 3.472 20 30 DGEDHN C=CCCC(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC001195226337 1101102720 /nfs/dbraw/zinc/10/27/20/1101102720.db2.gz QIHGORSUXRWLPM-UHFFFAOYSA-N 0 3 306.475 3.181 20 30 DGEDHN C#CCCCC(=O)N1CCCN([C@H](C)c2cccc(C)c2)CC1 ZINC001195681920 1101174253 /nfs/dbraw/zinc/17/42/53/1101174253.db2.gz LJKHTPJVLRAJQF-GOSISDBHSA-N 0 3 312.457 3.394 20 30 DGEDHN C[C@H](c1ccccc1)N1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780509 1101200034 /nfs/dbraw/zinc/20/00/34/1101200034.db2.gz DFJZAVGCWNVQQH-QGZVFWFLSA-N 0 3 312.457 3.331 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(CC/C=C\CCC)CC2)CCC1 ZINC001196138437 1101254503 /nfs/dbraw/zinc/25/45/03/1101254503.db2.gz NAZHXOPYEWGWPP-SREVYHEPSA-N 0 3 316.489 3.461 20 30 DGEDHN C=CCN(CC(=O)N[C@H](C)Cc1ccccc1C)C(C)(C)C ZINC001196198258 1101265226 /nfs/dbraw/zinc/26/52/26/1101265226.db2.gz HYDDCXCMUCYIJU-MRXNPFEDSA-N 0 3 302.462 3.329 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C)n1)C2 ZINC001110477513 1101266590 /nfs/dbraw/zinc/26/65/90/1101266590.db2.gz IGRONJGNVKZEGG-INMHGKMJSA-N 0 3 319.449 3.289 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CCCc2ccsc2)CC1 ZINC001196242162 1101277298 /nfs/dbraw/zinc/27/72/98/1101277298.db2.gz FLCMSEDNRFJUDJ-UHFFFAOYSA-N 0 3 306.475 3.181 20 30 DGEDHN C=C(C)CN1CCCN(C(=O)CC(C)(C)CC(F)F)CC1 ZINC001196581583 1101350149 /nfs/dbraw/zinc/35/01/49/1101350149.db2.gz PRNUSNRVLKTIRB-UHFFFAOYSA-N 0 3 302.409 3.168 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001196674689 1101364537 /nfs/dbraw/zinc/36/45/37/1101364537.db2.gz ZRLKMNLQZHYTGX-SFHVURJKSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC001196717936 1101369866 /nfs/dbraw/zinc/36/98/66/1101369866.db2.gz GYYHMYVEKCHFJL-CQSZACIVSA-N 0 3 322.474 3.259 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196854768 1101418416 /nfs/dbraw/zinc/41/84/16/1101418416.db2.gz TWWYZLBFVUBAME-IRXDYDNUSA-N 0 3 304.478 3.479 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccccc3OCC#N)cc2)CC1 ZINC001241744090 1101675403 /nfs/dbraw/zinc/67/54/03/1101675403.db2.gz NBQZULJODWCUOF-UHFFFAOYSA-N 0 3 321.424 3.398 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)/C=C/C(C)(C)C)C2 ZINC001278335938 1101701617 /nfs/dbraw/zinc/70/16/17/1101701617.db2.gz MVMOZUCMWHWQPI-BQYDLMEBSA-N 0 3 316.489 3.317 20 30 DGEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC001198128974 1101758217 /nfs/dbraw/zinc/75/82/17/1101758217.db2.gz BSDNTMRINGUXLD-CYBMUJFWSA-N 0 3 321.490 3.263 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2sccc2CC)CC1 ZINC001198221191 1101781995 /nfs/dbraw/zinc/78/19/95/1101781995.db2.gz GCBVTVPUBLJUEK-UHFFFAOYSA-N 0 3 306.475 3.425 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N1CCCN(C(C)C)CC1 ZINC001198196402 1101786313 /nfs/dbraw/zinc/78/63/13/1101786313.db2.gz DTRUCOAWDZESME-LJQANCHMSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CCN[C@H](CNC(=O)C(C)C)c1ccccc1OC ZINC001198541949 1101912778 /nfs/dbraw/zinc/91/27/78/1101912778.db2.gz LJIDQJCRWCICQJ-MRXNPFEDSA-N 0 3 304.434 3.064 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)/C(C)=C\C)c1ccccc1OC ZINC001198647036 1101939725 /nfs/dbraw/zinc/93/97/25/1101939725.db2.gz IAZPEBRVIZPNTB-GQMMIMOESA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)/C(C)=C/C)c1ccccc1OC ZINC001198647066 1101940979 /nfs/dbraw/zinc/94/09/79/1101940979.db2.gz ITCPVTWYPUMDHQ-CVDFKLHSSA-N 0 3 316.445 3.375 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)/C(C)=C\C)c1ccccc1OC ZINC001198647069 1101941213 /nfs/dbraw/zinc/94/12/13/1101941213.db2.gz ITCPVTWYPUMDHQ-MISIWFIQSA-N 0 3 316.445 3.375 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198705501 1101968085 /nfs/dbraw/zinc/96/80/85/1101968085.db2.gz JQORAOFRWLGNLR-UXHICEINSA-N 0 3 322.408 3.055 20 30 DGEDHN C=CCCCN[C@@H](CNC(=O)[C@H](F)CC)c1ccccc1OC ZINC001198834838 1101989591 /nfs/dbraw/zinc/98/95/91/1101989591.db2.gz OUILQEMAYNDLFT-CVEARBPZSA-N 0 3 322.424 3.156 20 30 DGEDHN C=C(C)CCN[C@@H](CNC(=O)[C@H](F)CC)c1ccccc1OC ZINC001198834349 1101990072 /nfs/dbraw/zinc/99/00/72/1101990072.db2.gz LURAPSRDLMESSS-CVEARBPZSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CCCCN[C@H](CNC(=O)[C@@H](F)CC)c1ccccc1OC ZINC001198834841 1101990178 /nfs/dbraw/zinc/99/01/78/1101990178.db2.gz OUILQEMAYNDLFT-JKSUJKDBSA-N 0 3 322.424 3.156 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](NCCCF)c1ccccc1OC ZINC001198836073 1101992582 /nfs/dbraw/zinc/99/25/82/1101992582.db2.gz YKZBQFABVFYRHW-HNNXBMFYSA-N 0 3 322.424 3.014 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NC(C)C)c2ccccc2OC)C1 ZINC001198895289 1102013559 /nfs/dbraw/zinc/01/35/59/1102013559.db2.gz QQNOQQCFLCQJEW-INIZCTEOSA-N 0 3 316.445 3.207 20 30 DGEDHN C=CCCN[C@H](CNC(=O)C(C)(C)CC)c1ccccc1OC ZINC001198875916 1102017787 /nfs/dbraw/zinc/01/77/87/1102017787.db2.gz LOVIROHWSMFLAQ-MRXNPFEDSA-N 0 3 318.461 3.454 20 30 DGEDHN C=CCCCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198876556 1102018347 /nfs/dbraw/zinc/01/83/47/1102018347.db2.gz TYOWQPDROZVNGD-INIZCTEOSA-N 0 3 304.434 3.207 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198885409 1102022349 /nfs/dbraw/zinc/02/23/49/1102022349.db2.gz GRTRFSOTEBWGHG-APWZRJJASA-N 0 3 318.461 3.453 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1OC ZINC001198924723 1102029396 /nfs/dbraw/zinc/02/93/96/1102029396.db2.gz MSVSLCJYWOFSHW-WBVHZDCISA-N 0 3 318.461 3.310 20 30 DGEDHN C#Cc1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc1 ZINC001242295739 1102035555 /nfs/dbraw/zinc/03/55/55/1102035555.db2.gz SKSIBOOZKSNXKN-UHFFFAOYSA-N 0 3 305.425 3.260 20 30 DGEDHN Cc1cc(C#N)ccc1-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001242473449 1102153173 /nfs/dbraw/zinc/15/31/73/1102153173.db2.gz ACERGFQOZJJNEH-KRWDZBQOSA-N 0 3 304.397 3.133 20 30 DGEDHN CCc1ncccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242522402 1102185069 /nfs/dbraw/zinc/18/50/69/1102185069.db2.gz ZPWWXRLXTSLSOA-CYBMUJFWSA-N 0 3 324.384 3.050 20 30 DGEDHN Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)c1 ZINC001110543153 1102225514 /nfs/dbraw/zinc/22/55/14/1102225514.db2.gz IOULQTGEFGXAMP-QRVBRYPASA-N 0 3 324.468 3.266 20 30 DGEDHN Cc1ccc(-c2cc(OC3CCN(C)CC3)ccn2)c(C#N)c1 ZINC001242591503 1102229507 /nfs/dbraw/zinc/22/95/07/1102229507.db2.gz SLLYXZHXEITHOP-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN Cc1cc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)ccc1C#N ZINC001242765011 1102329348 /nfs/dbraw/zinc/32/93/48/1102329348.db2.gz COLAFHVDLIYUDY-UHFFFAOYSA-N 0 3 322.412 3.372 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001493124159 1102354560 /nfs/dbraw/zinc/35/45/60/1102354560.db2.gz OFGAENFYWCIEGX-KRWDZBQOSA-N 0 3 318.436 3.449 20 30 DGEDHN Cc1cc(NC(=S)N2CCC3SC(=O)C=C3C2)ccc1F ZINC001201033396 1102478160 /nfs/dbraw/zinc/47/81/60/1102478160.db2.gz DNUXXYZXGQUWRB-CYBMUJFWSA-N 0 3 322.430 3.105 20 30 DGEDHN CCC[C@H](CC(C)C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001152875561 1102550342 /nfs/dbraw/zinc/55/03/42/1102550342.db2.gz CILWSCFPFIJTCG-CQSZACIVSA-N 0 3 321.490 3.288 20 30 DGEDHN N#CC1(c2ccc(-c3cc(N4CCOCC4)ccn3)cc2)CC1 ZINC001243418647 1102712386 /nfs/dbraw/zinc/71/23/86/1102712386.db2.gz FDUZZDDQCRYBSD-UHFFFAOYSA-N 0 3 305.381 3.140 20 30 DGEDHN C=CCOCc1nn(C)c2c1CN(CCCCCCC)CC2 ZINC001201762922 1102721556 /nfs/dbraw/zinc/72/15/56/1102721556.db2.gz ZUXBBSBOSMJFPE-UHFFFAOYSA-N 0 3 305.466 3.451 20 30 DGEDHN CCCCCCCCCN1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001201840403 1102744319 /nfs/dbraw/zinc/74/43/19/1102744319.db2.gz ZTQPRGDVYGNTOQ-UHFFFAOYSA-N 0 3 324.509 3.450 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001202123472 1102842814 /nfs/dbraw/zinc/84/28/14/1102842814.db2.gz RBAXSNGQAUMHTF-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C/c2ccco2)C12CCC2 ZINC001202355503 1102956202 /nfs/dbraw/zinc/95/62/02/1102956202.db2.gz ZPGKDMLWEFHFEV-XEVLESSRSA-N 0 3 320.820 3.062 20 30 DGEDHN CC(C)=CC(=O)N[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202406213 1102972382 /nfs/dbraw/zinc/97/23/82/1102972382.db2.gz HCOWJIJWFKYUQA-RTBURBONSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001276299677 1103023199 /nfs/dbraw/zinc/02/31/99/1103023199.db2.gz MBAMVWFECHHOCR-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@H](C)NCc2nc(C)cs2)C1 ZINC001325436326 1103029892 /nfs/dbraw/zinc/02/98/92/1103029892.db2.gz IPKWPDJPHRMMLU-GJZGRUSLSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)C)no1)C2 ZINC001111098923 1103044937 /nfs/dbraw/zinc/04/49/37/1103044937.db2.gz MOYHYYMOYFCYLR-BMFZPTHFSA-N 0 3 317.433 3.099 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CCCCC)C2 ZINC001111108641 1103047641 /nfs/dbraw/zinc/04/76/41/1103047641.db2.gz QPPMSUPQGZQIEC-MLHJIOFPSA-N 0 3 304.478 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C2 ZINC001111135192 1103052461 /nfs/dbraw/zinc/05/24/61/1103052461.db2.gz FWXYBFBJDVVEAL-OWYHZJEWSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCCCC)C2 ZINC001111172595 1103065026 /nfs/dbraw/zinc/06/50/26/1103065026.db2.gz JBSWYRKDCCBHGB-MLHJIOFPSA-N 0 3 304.478 3.338 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001488646416 1103082903 /nfs/dbraw/zinc/08/29/03/1103082903.db2.gz CFQRIJVVTJDOOX-KGLIPLIRSA-N 0 3 314.420 3.167 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1nccc2ccccc21 ZINC001488656798 1103092033 /nfs/dbraw/zinc/09/20/33/1103092033.db2.gz ROJGVVXRWSIVCZ-QGZVFWFLSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001488688956 1103110016 /nfs/dbraw/zinc/11/00/16/1103110016.db2.gz MTFFQCAVERPIIA-GOSISDBHSA-N 0 3 300.446 3.362 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1ccc(F)cc1 ZINC001488663308 1103120864 /nfs/dbraw/zinc/12/08/64/1103120864.db2.gz OLZINDQCXVCGNZ-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC001325902225 1103157270 /nfs/dbraw/zinc/15/72/70/1103157270.db2.gz FCFZCADAUBENBZ-RHSMWYFYSA-N 0 3 319.832 3.353 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCCCC1)C2 ZINC001111347207 1103238319 /nfs/dbraw/zinc/23/83/19/1103238319.db2.gz PIGRJJWNDRQLDV-KURKYZTESA-N 0 3 302.462 3.092 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)c1ccccc1)C2 ZINC001111360587 1103245482 /nfs/dbraw/zinc/24/54/82/1103245482.db2.gz RWBJTQDINBPYNC-WCIQWLHISA-N 0 3 324.468 3.315 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1CC ZINC001489107209 1103274887 /nfs/dbraw/zinc/27/48/87/1103274887.db2.gz YBPWBJXZKXFAGG-JKSUJKDBSA-N 0 3 306.475 3.492 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001326418107 1103308036 /nfs/dbraw/zinc/30/80/36/1103308036.db2.gz GHUJPIVSZONURD-KRWDZBQOSA-N 0 3 320.864 3.200 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCCC[C@@H](C)CC)C[C@@H]2C1 ZINC001489194900 1103309978 /nfs/dbraw/zinc/30/99/78/1103309978.db2.gz ZELNXPPCOJPORC-OTWHNJEPSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001326449964 1103321144 /nfs/dbraw/zinc/32/11/44/1103321144.db2.gz UPUBKGOHPQZCPT-PMOLBWCYSA-N 0 3 324.468 3.194 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cc3ccccc3o2)[C@@H]1C ZINC001489254126 1103321589 /nfs/dbraw/zinc/32/15/89/1103321589.db2.gz SHKHELRUGFESTI-PBHICJAKSA-N 0 3 312.413 3.478 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001326480115 1103334105 /nfs/dbraw/zinc/33/41/05/1103334105.db2.gz LJCKUQKXGJLMOS-MVJPYGJCSA-N 0 3 324.468 3.413 20 30 DGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001110601170 1103384472 /nfs/dbraw/zinc/38/44/72/1103384472.db2.gz MMIAHQBXUZORQD-ZRJCITRHSA-N 0 3 316.848 3.235 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114712556 1103404818 /nfs/dbraw/zinc/40/48/18/1103404818.db2.gz NENRFNPQHKPRJY-ZQMSHPPKSA-N 0 3 324.468 3.349 20 30 DGEDHN Cc1ccc(-c2cncc([C@@H]3CN4CCC3CC4)n2)cc1C#N ZINC001244481987 1103470804 /nfs/dbraw/zinc/47/08/04/1103470804.db2.gz ICMRTOGLZLTOOS-QGZVFWFLSA-N 0 3 304.397 3.133 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC001278384019 1103505344 /nfs/dbraw/zinc/50/53/44/1103505344.db2.gz JYUGBIVBDGBSOR-UKRRQHHQSA-N 0 3 312.438 3.117 20 30 DGEDHN C=C(Br)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCC ZINC001490290364 1103541374 /nfs/dbraw/zinc/54/13/74/1103541374.db2.gz IRAAIHNPIKBPFN-OLZOCXBDSA-N 0 3 317.271 3.054 20 30 DGEDHN C/C=C(/C)C(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001490297040 1103545616 /nfs/dbraw/zinc/54/56/16/1103545616.db2.gz DLSHHFODFQFITH-FLFOHNBESA-N 0 3 324.468 3.364 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001327161817 1103561392 /nfs/dbraw/zinc/56/13/92/1103561392.db2.gz GJPCBVKFABACBI-HKUYNNGSSA-N 0 3 312.457 3.174 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001276365164 1103561840 /nfs/dbraw/zinc/56/18/40/1103561840.db2.gz FFVHIQIHYDOFKN-CQSZACIVSA-N 0 3 308.853 3.371 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC001327162255 1103562463 /nfs/dbraw/zinc/56/24/63/1103562463.db2.gz IBUFZBLCFJIKMQ-RTBURBONSA-N 0 3 312.457 3.174 20 30 DGEDHN CCN(CCCNC(=O)[C@@H](C)C#N)Cc1c(C)cccc1Cl ZINC001490318248 1103567162 /nfs/dbraw/zinc/56/71/62/1103567162.db2.gz NCIXAVOYBJNCNK-AWEZNQCLSA-N 0 3 321.852 3.136 20 30 DGEDHN CC#CCN(CCCNC(=O)c1cc(F)ccc1Cl)C1CC1 ZINC001490386491 1103587196 /nfs/dbraw/zinc/58/71/96/1103587196.db2.gz VCNBBKIRVQZNNK-UHFFFAOYSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@@H]1CCCc2ccccc21)C1CC1 ZINC001490391179 1103590003 /nfs/dbraw/zinc/59/00/03/1103590003.db2.gz FJNNNPNJCBXJDZ-SFHVURJKSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001327229207 1103591637 /nfs/dbraw/zinc/59/16/37/1103591637.db2.gz GUOJZIFEVSQPME-UHFFFAOYSA-N 0 3 318.417 3.068 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2ccccc2s1 ZINC001327229979 1103592775 /nfs/dbraw/zinc/59/27/75/1103592775.db2.gz QHTMZOJAKYHVHQ-UHFFFAOYSA-N 0 3 314.454 3.319 20 30 DGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ncccc2F)C1 ZINC001490452692 1103612070 /nfs/dbraw/zinc/61/20/70/1103612070.db2.gz JJBVYXYTZGEOEZ-HNNXBMFYSA-N 0 3 321.440 3.385 20 30 DGEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C/C=C(/C)C=C)C1 ZINC001327309586 1103619968 /nfs/dbraw/zinc/61/99/68/1103619968.db2.gz WIJPHIBJYCTOSK-QBURUYPWSA-N 0 3 314.473 3.235 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001490432284 1103625953 /nfs/dbraw/zinc/62/59/53/1103625953.db2.gz JHXNXGSRXBSLMS-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCF)C2)CCCCC1 ZINC001490458750 1103633989 /nfs/dbraw/zinc/63/39/89/1103633989.db2.gz ROSRBXQOICNZGS-INIZCTEOSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)CC1CCCC1 ZINC001114925491 1103641203 /nfs/dbraw/zinc/64/12/03/1103641203.db2.gz VFFHLBSCTQIRPM-WNRNVDISSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001490554753 1103653463 /nfs/dbraw/zinc/65/34/63/1103653463.db2.gz VCYVEFVVMATEMY-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001490594615 1103671931 /nfs/dbraw/zinc/67/19/31/1103671931.db2.gz HEEIZZGVGBAMPI-LHRNQBEKSA-N 0 3 310.869 3.312 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001490607413 1103678759 /nfs/dbraw/zinc/67/87/59/1103678759.db2.gz XXISPSKOQKHCSY-IRXDYDNUSA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccsc1)C2 ZINC001095999898 1103726610 /nfs/dbraw/zinc/72/66/10/1103726610.db2.gz RDHCXSBJZAIYRM-UKMLZYKCSA-N 0 3 304.459 3.149 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)OC ZINC001490786394 1103743316 /nfs/dbraw/zinc/74/33/16/1103743316.db2.gz OCIWWPCFDXDGPZ-ZACQAIPSSA-N 0 3 310.482 3.057 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)OC ZINC001490786393 1103743964 /nfs/dbraw/zinc/74/39/64/1103743964.db2.gz OCIWWPCFDXDGPZ-YESZJQIVSA-N 0 3 310.482 3.057 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C2 ZINC001096120535 1103761178 /nfs/dbraw/zinc/76/11/78/1103761178.db2.gz DSGLZJRCUUSERD-GFEQUFNTSA-N 0 3 310.441 3.088 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C2 ZINC001096180506 1103779251 /nfs/dbraw/zinc/77/92/51/1103779251.db2.gz GPJNOMHVGHQAFJ-XCLNPWKQSA-N 0 3 324.468 3.097 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1C(C)C)C2 ZINC001096273111 1103792345 /nfs/dbraw/zinc/79/23/45/1103792345.db2.gz BQVODCZCYVFWBU-KBMXLJTQSA-N 0 3 317.433 3.099 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC001096405770 1103822607 /nfs/dbraw/zinc/82/26/07/1103822607.db2.gz HVRJMQVORIOINL-PMPSAXMXSA-N 0 3 304.821 3.251 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCOCC(C)C)CC1(C)C ZINC001328104067 1103849123 /nfs/dbraw/zinc/84/91/23/1103849123.db2.gz ZLMRJTWCWOALBX-INIZCTEOSA-N 0 3 324.509 3.088 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001328224244 1103880377 /nfs/dbraw/zinc/88/03/77/1103880377.db2.gz QHOWDIDXGFCPCN-QAPCUYQASA-N 0 3 313.445 3.073 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001328247165 1103890190 /nfs/dbraw/zinc/89/01/90/1103890190.db2.gz YIPXSGZJZPRNPF-NVXWUHKLSA-N 0 3 316.445 3.131 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccc3C)CC1)C2 ZINC001096663440 1103897332 /nfs/dbraw/zinc/89/73/32/1103897332.db2.gz MMKDKUYSOULUGG-NEWSRXKRSA-N 0 3 324.468 3.324 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccco1 ZINC001490805963 1103899690 /nfs/dbraw/zinc/89/96/90/1103899690.db2.gz NABLZRMFCWKFHK-YESZJQIVSA-N 0 3 316.445 3.415 20 30 DGEDHN C#CCCCC(=O)NCC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC001328331253 1103914272 /nfs/dbraw/zinc/91/42/72/1103914272.db2.gz GFTCSZXIDICKTN-KBPBESRZSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C1CCC(C(=O)NCC[C@H](C)NCc2nc(C)cs2)CC1 ZINC001328399943 1103932368 /nfs/dbraw/zinc/93/23/68/1103932368.db2.gz PFBXKRMXQTXUJR-ZDUSSCGKSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC(C)(F)F ZINC001328467830 1103956604 /nfs/dbraw/zinc/95/66/04/1103956604.db2.gz GYOFNYUECLNEOP-INIZCTEOSA-N 0 3 322.399 3.323 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC1=CCCCC1 ZINC001328683643 1104020886 /nfs/dbraw/zinc/02/08/86/1104020886.db2.gz OFNSMCBBGHHJHQ-GDIGMMSISA-N 0 3 323.440 3.018 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC#CC ZINC001328686679 1104022471 /nfs/dbraw/zinc/02/24/71/1104022471.db2.gz MCPSKYPVIKLTHB-UYAOXDASSA-N 0 3 310.441 3.128 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H](C)CC ZINC001328693632 1104023355 /nfs/dbraw/zinc/02/33/55/1104023355.db2.gz KLROWJOWUCHLEH-QKYXUNIQSA-N 0 3 312.457 3.208 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)CC1=CCCCC1 ZINC001328707717 1104029517 /nfs/dbraw/zinc/02/95/17/1104029517.db2.gz RRQSCHASTNBANS-GOSISDBHSA-N 0 3 320.477 3.002 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)c2cccnc12 ZINC001328748792 1104051661 /nfs/dbraw/zinc/05/16/61/1104051661.db2.gz IDVWUIFUORUQNR-MRXNPFEDSA-N 0 3 323.440 3.266 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C1CCC1)C1CCC1 ZINC001328766207 1104062381 /nfs/dbraw/zinc/06/23/81/1104062381.db2.gz VDWZMVAQMRZAIM-KRWDZBQOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1csc(CC(C)C)n1 ZINC001328799231 1104076936 /nfs/dbraw/zinc/07/69/36/1104076936.db2.gz WKCILLYKMNFMRM-AWEZNQCLSA-N 0 3 321.490 3.064 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001278410661 1104126032 /nfs/dbraw/zinc/12/60/32/1104126032.db2.gz OVLUAXWGEXDKIC-QAPCUYQASA-N 0 3 312.457 3.200 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329048975 1104136822 /nfs/dbraw/zinc/13/68/22/1104136822.db2.gz NUXGMBSNHPIPAM-ZWKOTPCHSA-N 0 3 324.468 3.289 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cc(F)ccc1OC ZINC001329103522 1104152923 /nfs/dbraw/zinc/15/29/23/1104152923.db2.gz LJVKPNNRJQECGW-QWHCGFSZSA-N 0 3 322.424 3.029 20 30 DGEDHN CN(C)C1CN(Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137898180 1104164732 /nfs/dbraw/zinc/16/47/32/1104164732.db2.gz JEESZMHGFVTIIH-UHFFFAOYSA-N 0 3 320.440 3.072 20 30 DGEDHN C=CCCC(=O)N(C)C1CCC(NCc2oc(C)nc2C)CC1 ZINC001329219429 1104192234 /nfs/dbraw/zinc/19/22/34/1104192234.db2.gz ABACRWBWEXHYOI-UHFFFAOYSA-N 0 3 319.449 3.117 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2cccc(C)c2)C1 ZINC001278415456 1104211781 /nfs/dbraw/zinc/21/17/81/1104211781.db2.gz YAXYCSUAOBEZBS-IBGZPJMESA-N 0 3 300.446 3.084 20 30 DGEDHN N#CCCCCN1CCCC[C@@]12CC(=O)N(C1CCCC1)C2 ZINC001274043849 1104232598 /nfs/dbraw/zinc/23/25/98/1104232598.db2.gz VLKHPNGZLJKZIN-SFHVURJKSA-N 0 3 303.450 3.080 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)C[C@@H](OC)c1ccccc1 ZINC001329521618 1104297578 /nfs/dbraw/zinc/29/75/78/1104297578.db2.gz DRRDSQDEUULBLP-DOTOQJQBSA-N 0 3 318.461 3.023 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329543216 1104310672 /nfs/dbraw/zinc/31/06/72/1104310672.db2.gz WNJOBEWRSIFDOC-BEFAXECRSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(OC)c1 ZINC001329562415 1104320581 /nfs/dbraw/zinc/32/05/81/1104320581.db2.gz XLLMZPPVHKAPCE-HNNXBMFYSA-N 0 3 318.461 3.234 20 30 DGEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc(C(C)C)c1 ZINC001274270204 1104338515 /nfs/dbraw/zinc/33/85/15/1104338515.db2.gz RBVFYSWZNCNQEE-OAQYLSRUSA-N 0 3 324.468 3.400 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1csc(C)c1 ZINC001274339196 1104357505 /nfs/dbraw/zinc/35/75/05/1104357505.db2.gz LLULWBZFZTTXCX-ZPUOCTKUSA-N 0 3 306.475 3.421 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001278434918 1104428315 /nfs/dbraw/zinc/42/83/15/1104428315.db2.gz YOGKVZZIJKSNKZ-XLIONFOSSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001329937799 1104430212 /nfs/dbraw/zinc/43/02/12/1104430212.db2.gz OIYJZSHSSTVBHS-IAGOWNOFSA-N 0 3 304.409 3.244 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001330088294 1104477733 /nfs/dbraw/zinc/47/77/33/1104477733.db2.gz KVJJZFHZYLJFLT-KEGWNNHHSA-N 0 3 312.457 3.411 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1nc(C)c(C)s1 ZINC001274763321 1104482054 /nfs/dbraw/zinc/48/20/54/1104482054.db2.gz LKVMJMINSTUTNC-LBPRGKRZSA-N 0 3 323.506 3.347 20 30 DGEDHN CCCCCCCN1C[C@H](NC(=O)c2conc2C)C(C)(C)C1 ZINC001330230062 1104514837 /nfs/dbraw/zinc/51/48/37/1104514837.db2.gz KWEMEQLXSLORKT-INIZCTEOSA-N 0 3 321.465 3.394 20 30 DGEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@H](C)CCC)CC2)C1 ZINC001274868426 1104525131 /nfs/dbraw/zinc/52/51/31/1104525131.db2.gz YZSRWLXQWQHIEF-QGZVFWFLSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)Cc2ccoc2)CC1 ZINC001274945421 1104551486 /nfs/dbraw/zinc/55/14/86/1104551486.db2.gz LJAMLFALZSQAOJ-UHFFFAOYSA-N 0 3 324.852 3.135 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001278450629 1104561506 /nfs/dbraw/zinc/56/15/06/1104561506.db2.gz ROOFCGZUXFJMTP-LJQANCHMSA-N 0 3 312.413 3.050 20 30 DGEDHN C[C@H]1CCc2nc(CN[C@H]3Cc4ccc(C#N)cc4C3)sc2C1 ZINC001330637871 1104601731 /nfs/dbraw/zinc/60/17/31/1104601731.db2.gz BXGCWPVWGSJBDY-LRDDRELGSA-N 0 3 323.465 3.397 20 30 DGEDHN C[C@@H]1CCc2nc(CN[C@H]3Cc4ccc(C#N)cc4C3)sc2C1 ZINC001330637878 1104601878 /nfs/dbraw/zinc/60/18/78/1104601878.db2.gz BXGCWPVWGSJBDY-WBMJQRKESA-N 0 3 323.465 3.397 20 30 DGEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(CC)CC ZINC001275080930 1104613614 /nfs/dbraw/zinc/61/36/14/1104613614.db2.gz NKESSYBAAWNTQF-UYAOXDASSA-N 0 3 312.457 3.208 20 30 DGEDHN CCCCCCCN1CC2(C1)CN(C(=O)Cc1ccsc1)C2 ZINC001275125837 1104636040 /nfs/dbraw/zinc/63/60/40/1104636040.db2.gz CPVBFSDTINIPOR-UHFFFAOYSA-N 0 3 320.502 3.405 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCc3ccccc3C)CCC[C@@H]12 ZINC001278459193 1104638511 /nfs/dbraw/zinc/63/85/11/1104638511.db2.gz IRBBHVVPRKVADC-TZIWHRDSSA-N 0 3 324.468 3.064 20 30 DGEDHN CC/C(C)=C\C(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001330800313 1104649107 /nfs/dbraw/zinc/64/91/07/1104649107.db2.gz HWOOBTSMDKRLQD-RTYFKUQISA-N 0 3 313.445 3.289 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCN[C@H](C)c1cnccn1 ZINC001330884670 1104669736 /nfs/dbraw/zinc/66/97/36/1104669736.db2.gz ZLGSDNYMRMWNGJ-LSDHHAIUSA-N 0 3 318.465 3.014 20 30 DGEDHN C[C@@H](NC(=O)CC1=CCCCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001275364759 1104737650 /nfs/dbraw/zinc/73/76/50/1104737650.db2.gz GNDTWNQVBSUCNF-ZWKOTPCHSA-N 0 3 324.468 3.411 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)C1CC(C)(C)C1 ZINC001275394868 1104745447 /nfs/dbraw/zinc/74/54/47/1104745447.db2.gz SGEDGBRMTNBQMG-VXGBXAGGSA-N 0 3 319.474 3.039 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001275472953 1104771068 /nfs/dbraw/zinc/77/10/68/1104771068.db2.gz YJATVPUCYGSLMM-HZPDHXFCSA-N 0 3 318.436 3.311 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)CCOC1CCCCCC1 ZINC001275622025 1104834922 /nfs/dbraw/zinc/83/49/22/1104834922.db2.gz KPKKOLYCPZTCJI-MRXNPFEDSA-N 0 3 324.509 3.375 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001275621843 1104836019 /nfs/dbraw/zinc/83/60/19/1104836019.db2.gz JDGBIPPWYOOAIO-INIZCTEOSA-N 0 3 318.436 3.286 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001275780316 1104904999 /nfs/dbraw/zinc/90/49/99/1104904999.db2.gz DKKPCQHVOKXNBQ-OAHLLOKOSA-N 0 3 311.429 3.138 20 30 DGEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1C1CC1 ZINC001275819971 1104922147 /nfs/dbraw/zinc/92/21/47/1104922147.db2.gz WWNOCVYVFGRIPE-INIZCTEOSA-N 0 3 312.457 3.304 20 30 DGEDHN CC(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001275837072 1104927959 /nfs/dbraw/zinc/92/79/59/1104927959.db2.gz ZYJPLKXDVDGTHD-OAHLLOKOSA-N 0 3 315.461 3.177 20 30 DGEDHN CC(C)(C)c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)c(C#N)c1 ZINC001247621263 1104939531 /nfs/dbraw/zinc/93/95/31/1104939531.db2.gz OVBKVFYFCBBODM-KMUNFCNLSA-N 0 3 308.385 3.329 20 30 DGEDHN C=CCCCCCCCCN1CC2(C1)CN(COCCOC)C2 ZINC001276047771 1105005512 /nfs/dbraw/zinc/00/55/12/1105005512.db2.gz WBYJTHBHPNSZCW-UHFFFAOYSA-N 0 3 324.509 3.141 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CCC3)cc1)C2 ZINC001095502459 1105046200 /nfs/dbraw/zinc/04/62/00/1105046200.db2.gz QTQHQLDWQYCFNC-AABGKKOBSA-N 0 3 322.452 3.313 20 30 DGEDHN CCCC[C@H](CNCc1ccccc1F)NC(=O)C#CC(C)C ZINC001276249671 1105061791 /nfs/dbraw/zinc/06/17/91/1105061791.db2.gz GWYSBPOXVYYADV-QGZVFWFLSA-N 0 3 318.436 3.250 20 30 DGEDHN C[C@@H](N[C@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1ccccc1F ZINC001490822912 1105080178 /nfs/dbraw/zinc/08/01/78/1105080178.db2.gz SAXYYCMVAHQMLK-CABCVRRESA-N 0 3 316.420 3.127 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001110897376 1105105723 /nfs/dbraw/zinc/10/57/23/1105105723.db2.gz KTNCCAXLNCAUOV-KURKYZTESA-N 0 3 312.457 3.163 20 30 DGEDHN C=CCC1(CNC(=O)N(CCN(C)C)CC(C)C)CCCC1 ZINC001248674719 1105143821 /nfs/dbraw/zinc/14/38/21/1105143821.db2.gz JZPLMHYSVCYIAX-UHFFFAOYSA-N 0 3 309.498 3.352 20 30 DGEDHN CCc1cc(C#N)ccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001248752536 1105155076 /nfs/dbraw/zinc/15/50/76/1105155076.db2.gz PHHCQUGTVOBPBO-IBGZPJMESA-N 0 3 307.397 3.169 20 30 DGEDHN CCOC(=O)C1(C)CCN(Cc2ccc(C#N)cc2CC)CC1 ZINC001248751682 1105155656 /nfs/dbraw/zinc/15/56/56/1105155656.db2.gz GDZCDQMUDQVLQO-UHFFFAOYSA-N 0 3 314.429 3.286 20 30 DGEDHN C#CC[C@]1(c2nc(-c3ccc(N(CC)CC)cc3)no2)CCCN1 ZINC001249352093 1105272507 /nfs/dbraw/zinc/27/25/07/1105272507.db2.gz VOTUVQDTYCXGHG-LJQANCHMSA-N 0 3 324.428 3.185 20 30 DGEDHN C#CC[C@]1(c2nc(-c3cc(F)cc(Cl)c3)no2)CCCN1 ZINC001249353878 1105273538 /nfs/dbraw/zinc/27/35/38/1105273538.db2.gz WSIDKJZIZALMRN-OAHLLOKOSA-N 0 3 305.740 3.131 20 30 DGEDHN N#Cc1ccc2cc(CN3CCC(n4ccnc4)CC3)[nH]c2c1 ZINC001249429919 1105285246 /nfs/dbraw/zinc/28/52/46/1105285246.db2.gz VYPQRZWUXOBFFM-UHFFFAOYSA-N 0 3 305.385 3.073 20 30 DGEDHN N#Cc1ccc(NC2=CC[C@H](N3CCOCC3)CC2)c(Cl)c1 ZINC001249554259 1105312162 /nfs/dbraw/zinc/31/21/62/1105312162.db2.gz AKJGGCAUIHLELQ-HNNXBMFYSA-N 0 3 317.820 3.392 20 30 DGEDHN N#Cc1cc(Cl)cc(NC2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001249559001 1105314465 /nfs/dbraw/zinc/31/44/65/1105314465.db2.gz DXZCYLLTLJEACB-KRWDZBQOSA-N 0 3 317.820 3.392 20 30 DGEDHN N#CCc1cc(NC2=CC[C@H](N3CCOCC3)CC2)ccc1F ZINC001249560540 1105315181 /nfs/dbraw/zinc/31/51/81/1105315181.db2.gz ARKGQDOFNPKPCO-KRWDZBQOSA-N 0 3 315.392 3.072 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2 ZINC001097120594 1105350470 /nfs/dbraw/zinc/35/04/70/1105350470.db2.gz RDVYPFDHFKWXDF-RTXFEEFZSA-N 0 3 310.850 3.313 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1CCCC3)C2 ZINC001097128103 1105350989 /nfs/dbraw/zinc/35/09/89/1105350989.db2.gz OMFDZQZVFZVZFX-AHRSYUTCSA-N 0 3 324.468 3.477 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(C2CC2)C2CC2)[C@@H]1C ZINC001278533679 1105375129 /nfs/dbraw/zinc/37/51/29/1105375129.db2.gz YBYUJYMVEQZLBN-KBXCAEBGSA-N 0 3 304.478 3.358 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(CCOC)CCCC2)[C@@H]1C ZINC001278533767 1105375173 /nfs/dbraw/zinc/37/51/73/1105375173.db2.gz ZUAVFYFKWHPWGB-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC=CCCC1)C2 ZINC001097319945 1105380972 /nfs/dbraw/zinc/38/09/72/1105380972.db2.gz RLUPPBDZKUMNRO-TVFCKZIOSA-N 0 3 302.462 3.421 20 30 DGEDHN C#C[C@H]1CCCN(Cc2ccc(OC(F)(F)F)c(OC)c2)C1 ZINC001249991301 1105422612 /nfs/dbraw/zinc/42/26/12/1105422612.db2.gz HDEJCKALAVOGJY-LBPRGKRZSA-N 0 3 313.319 3.439 20 30 DGEDHN C#CC1CCN(Cc2ccc(OC(F)(F)F)c(OC)c2)CC1 ZINC001249994131 1105423674 /nfs/dbraw/zinc/42/36/74/1105423674.db2.gz VTDPJBZWUHGRIS-UHFFFAOYSA-N 0 3 313.319 3.439 20 30 DGEDHN Cc1cc(C[NH+]2CCC(S)CC2)c([O-])cc1Br ZINC001250128236 1105448678 /nfs/dbraw/zinc/44/86/78/1105448678.db2.gz BINWCMTVBSBCSM-UHFFFAOYSA-N 0 3 316.264 3.357 20 30 DGEDHN Cc1cc(CN2CCC(S)CC2)c(O)cc1Br ZINC001250128236 1105448679 /nfs/dbraw/zinc/44/86/79/1105448679.db2.gz BINWCMTVBSBCSM-UHFFFAOYSA-N 0 3 316.264 3.357 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccs1)C2 ZINC001097832556 1105453455 /nfs/dbraw/zinc/45/34/55/1105453455.db2.gz SOAXJZSVHNREFQ-TUVASFSCSA-N 0 3 304.459 3.149 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNCc2ncc(C)s2)C1 ZINC001278586040 1105550698 /nfs/dbraw/zinc/55/06/98/1105550698.db2.gz PTFQMHLWTHYZTN-KGLIPLIRSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)c(C)o2)C1 ZINC001098792526 1105603945 /nfs/dbraw/zinc/60/39/45/1105603945.db2.gz RPPIMSAZHINEQR-YJBOKZPZSA-N 0 3 302.418 3.057 20 30 DGEDHN CC1(C)CN(C(=O)C2CCCC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001278617548 1105609366 /nfs/dbraw/zinc/60/93/66/1105609366.db2.gz BROBQKKDYPFACI-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC)s2)C1 ZINC001098927138 1105613998 /nfs/dbraw/zinc/61/39/98/1105613998.db2.gz IROSETNLQDZNNG-KSSFIOAISA-N 0 3 318.486 3.471 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3ncccc32)C1 ZINC001098965703 1105619190 /nfs/dbraw/zinc/61/91/90/1105619190.db2.gz RVASWWBWRFOXRB-YWZLYKJASA-N 0 3 321.424 3.005 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CCC)cc2)C1 ZINC001099003514 1105624845 /nfs/dbraw/zinc/62/48/45/1105624845.db2.gz ORMUEKIGUCVTQA-ICSRJNTNSA-N 0 3 312.457 3.409 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001099012904 1105628169 /nfs/dbraw/zinc/62/81/69/1105628169.db2.gz QWJSKVVDRZLEAR-INIZCTEOSA-N 0 3 320.452 3.414 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001099054097 1105635205 /nfs/dbraw/zinc/63/52/05/1105635205.db2.gz VKNPUXPBNBJULZ-SCTDSRPQSA-N 0 3 316.420 3.244 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC001099073894 1105638781 /nfs/dbraw/zinc/63/87/81/1105638781.db2.gz DGBXFVJIRKCNHY-CYBMUJFWSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](OCC)C(=C)C ZINC001099098214 1105642548 /nfs/dbraw/zinc/64/25/48/1105642548.db2.gz MCMUINRXFOFDFX-DLBZAZTESA-N 0 3 322.493 3.151 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2CCC)C1 ZINC001099120085 1105644205 /nfs/dbraw/zinc/64/42/05/1105644205.db2.gz ZCJJCYMFONUEIW-KXBFYZLASA-N 0 3 316.445 3.393 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2sc(C)cc2C)C1 ZINC001099142028 1105649053 /nfs/dbraw/zinc/64/90/53/1105649053.db2.gz LKMPBTLEIRIJES-YJBOKZPZSA-N 0 3 318.486 3.064 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC(F)F ZINC001099144997 1105649626 /nfs/dbraw/zinc/64/96/26/1105649626.db2.gz PYWDRDWDWRXZNL-ZIAGYGMSSA-N 0 3 316.436 3.461 20 30 DGEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001099172794 1105653460 /nfs/dbraw/zinc/65/34/60/1105653460.db2.gz TXBGABCLEAEUHE-WFXMLNOXSA-N 0 3 324.468 3.093 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001099188560 1105655924 /nfs/dbraw/zinc/65/59/24/1105655924.db2.gz HABSBZUONGOBSM-MRXNPFEDSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001099187174 1105656117 /nfs/dbraw/zinc/65/61/17/1105656117.db2.gz IZCJUQOGMQYSRK-ZWOKBUDYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1C(F)(F)F ZINC001099204845 1105657844 /nfs/dbraw/zinc/65/78/44/1105657844.db2.gz FWXGBWOOAWQXHU-ZIAGYGMSSA-N 0 3 318.383 3.122 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)c1ccco1 ZINC001099228946 1105659712 /nfs/dbraw/zinc/65/97/12/1105659712.db2.gz DVNGTUFJZAKUAB-CVEARBPZSA-N 0 3 316.445 3.013 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001099325785 1105668715 /nfs/dbraw/zinc/66/87/15/1105668715.db2.gz YBQHRWHLDMDUIE-ZDUSSCGKSA-N 0 3 316.436 3.461 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC(C)C ZINC001099411086 1105677404 /nfs/dbraw/zinc/67/74/04/1105677404.db2.gz UBMSWMYQAPXIJA-NXOAAHMSSA-N 0 3 324.896 3.344 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C(C)=C/CC ZINC001099433360 1105678852 /nfs/dbraw/zinc/67/88/52/1105678852.db2.gz ZXIBULQQSBQAKB-BHBRKPDHSA-N 0 3 322.880 3.264 20 30 DGEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C=C(/C)CC ZINC001099475856 1105684295 /nfs/dbraw/zinc/68/42/95/1105684295.db2.gz YVWDBTCJEASAIP-OLMHHTGLSA-N 0 3 322.880 3.264 20 30 DGEDHN CCCCCCCC[C@@H](O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC001252123138 1105744708 /nfs/dbraw/zinc/74/47/08/1105744708.db2.gz DBCNHHASEVAIHG-KGLIPLIRSA-N 0 3 311.388 3.097 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001490981365 1105730667 /nfs/dbraw/zinc/73/06/67/1105730667.db2.gz IJLOBJXXCALCED-FRFGOACMSA-N 0 3 322.880 3.245 20 30 DGEDHN CCCCCCCC[C@@H](O)CNCC(=O)Nc1ccccc1 ZINC001252133126 1105747125 /nfs/dbraw/zinc/74/71/25/1105747125.db2.gz GHFNUFRTBHWHHB-QGZVFWFLSA-N 0 3 306.450 3.326 20 30 DGEDHN CCCCCCCC[C@H](O)CN[C@H](CO)c1ccc(OC)cc1 ZINC001252135154 1105748064 /nfs/dbraw/zinc/74/80/64/1105748064.db2.gz YPNGSEOXWPXLNH-PKOBYXMFSA-N 0 3 323.477 3.430 20 30 DGEDHN CC(C)C#CC(=O)NC[C@]1(C)CCCN(Cc2ccsc2)C1 ZINC001278658415 1105766531 /nfs/dbraw/zinc/76/65/31/1105766531.db2.gz FRRXROUNSZCNEF-SFHVURJKSA-N 0 3 318.486 3.126 20 30 DGEDHN C=C(CN1CCCCC1)c1nnc(-c2ccc(N(C)C)cc2)o1 ZINC001252333036 1105768109 /nfs/dbraw/zinc/76/81/09/1105768109.db2.gz IZWIVSSGTWDMKN-UHFFFAOYSA-N 0 3 312.417 3.302 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001491202549 1105773665 /nfs/dbraw/zinc/77/36/65/1105773665.db2.gz DFZLZSYJGYZGPZ-SFHVURJKSA-N 0 3 300.446 3.432 20 30 DGEDHN CC(C)(C)C#CCNC[C@H](O)COc1cccc2ccccc21 ZINC001252398334 1105777247 /nfs/dbraw/zinc/77/72/47/1105777247.db2.gz JDIAUIOXXKLKKC-KRWDZBQOSA-N 0 3 311.425 3.219 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2cccnc2C)C(C)(C)C1 ZINC001278667959 1105781469 /nfs/dbraw/zinc/78/14/69/1105781469.db2.gz VRWQRIMVHXVZNM-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001491237028 1105784000 /nfs/dbraw/zinc/78/40/00/1105784000.db2.gz DQHCRQJRZRTZJY-CYBMUJFWSA-N 0 3 310.438 3.438 20 30 DGEDHN C=C[C@@](C)(O)CN1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001252554699 1105792943 /nfs/dbraw/zinc/79/29/43/1105792943.db2.gz KADXJSAUWMRMTE-RHSMWYFYSA-N 0 3 309.837 3.429 20 30 DGEDHN C=CCC[C@H](O)CNCc1c(OC)cccc1C(F)(F)F ZINC001252616367 1105804436 /nfs/dbraw/zinc/80/44/36/1105804436.db2.gz OANNOUPPSIWNKF-NSHDSACASA-N 0 3 303.324 3.131 20 30 DGEDHN C=CCC[C@@H](O)CNCc1cncn1Cc1cccc(Cl)c1 ZINC001252621855 1105806886 /nfs/dbraw/zinc/80/68/86/1105806886.db2.gz JKFDHMIROAVTRE-QGZVFWFLSA-N 0 3 319.836 3.002 20 30 DGEDHN CC1(CCC(=O)NCC2CC(NCC#Cc3ccccc3)C2)CC1 ZINC001100819307 1105852780 /nfs/dbraw/zinc/85/27/80/1105852780.db2.gz RKDPQZGGAIEYIH-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001100945485 1105869644 /nfs/dbraw/zinc/86/96/44/1105869644.db2.gz VNBQVBRMEFSIDF-BZOOQXSSSA-N 0 3 320.864 3.417 20 30 DGEDHN CCCC[C@@H](CC)COC[C@@H](O)CNCc1csc(C#N)c1 ZINC001253027981 1105879223 /nfs/dbraw/zinc/87/92/23/1105879223.db2.gz APVRDPIZBACQOP-ZBFHGGJFSA-N 0 3 324.490 3.303 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)CCCC[C@H](C)CC)C[C@]2(C)C1 ZINC001101250989 1105903468 /nfs/dbraw/zinc/90/34/68/1105903468.db2.gz WENLBXSJMVISFC-LMMKCTJWSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@@H](c2noc(C)n2)C1 ZINC001253234030 1105906246 /nfs/dbraw/zinc/90/62/46/1105906246.db2.gz SJYOXXPWGQEHSW-IAGOWNOFSA-N 0 3 321.465 3.445 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1cccc2c1OCO2 ZINC001253248757 1105911153 /nfs/dbraw/zinc/91/11/53/1105911153.db2.gz BHWHLAUTHRQKRS-MRXNPFEDSA-N 0 3 305.418 3.392 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1ncn2ccccc12 ZINC001253255183 1105912641 /nfs/dbraw/zinc/91/26/41/1105912641.db2.gz XGCMUBQRLFGQFX-MRXNPFEDSA-N 0 3 301.434 3.311 20 30 DGEDHN C=CCCCCCC[C@H](O)CNCc1ccc(OC)nc1OC ZINC001253254350 1105912680 /nfs/dbraw/zinc/91/26/80/1105912680.db2.gz BMCHFNGAGOSBSA-INIZCTEOSA-N 0 3 322.449 3.076 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CCCCC)C[C@]2(C)C1 ZINC001101384385 1105915332 /nfs/dbraw/zinc/91/53/32/1105915332.db2.gz BOJNSPUHBKXCFX-LMMKCTJWSA-N 0 3 304.478 3.006 20 30 DGEDHN CCCCCCCCCCCC[C@@H](O)CNC1(C(N)=O)CC1 ZINC001253563411 1105959243 /nfs/dbraw/zinc/95/92/43/1105959243.db2.gz FMPUPFHLDBYSSH-MRXNPFEDSA-N 0 3 312.498 3.266 20 30 DGEDHN C=C[C@@H](O)CN1CCC(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001253588643 1105961887 /nfs/dbraw/zinc/96/18/87/1105961887.db2.gz ZATWTRKSRBWJQC-GOSISDBHSA-N 0 3 315.457 3.426 20 30 DGEDHN C=C[C@@H](O)CNCc1cc(OCc2ccc(F)cc2)ccc1F ZINC001253613674 1105964274 /nfs/dbraw/zinc/96/42/74/1105964274.db2.gz APXTUAPBSPWIAO-MRXNPFEDSA-N 0 3 319.351 3.180 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001278747343 1106000149 /nfs/dbraw/zinc/00/01/49/1106000149.db2.gz LCIBMNDAPKKGPD-HIFRSBDPSA-N 0 3 302.409 3.072 20 30 DGEDHN C=CCCC(=O)NCC[C@@H]1CN([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001102761527 1106102614 /nfs/dbraw/zinc/10/26/14/1106102614.db2.gz BQTDKMCXDKZJNW-VNQPRFMTSA-N 0 3 319.449 3.084 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2cccc(Br)c2)C1 ZINC001254648282 1106121950 /nfs/dbraw/zinc/12/19/50/1106121950.db2.gz HGBBTUKJEHBTPG-BYCMXARLSA-N 0 3 323.234 3.154 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cncn2Cc2cccc(Cl)c2)C1 ZINC001254649932 1106122577 /nfs/dbraw/zinc/12/25/77/1106122577.db2.gz WMXAXRNDOKMJIL-CZUORRHYSA-N 0 3 314.820 3.367 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001254649294 1106122604 /nfs/dbraw/zinc/12/26/04/1106122604.db2.gz ROIVIDIECMWKPD-GOEBONIOSA-N 0 3 314.820 3.367 20 30 DGEDHN Cc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)ncc1Br ZINC001254652390 1106123505 /nfs/dbraw/zinc/12/35/05/1106123505.db2.gz CVNBORIBXHQZES-SRVKXCTJSA-N 0 3 308.223 3.495 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2[C@@H]2CC[C@H](C#N)C2)C1 ZINC001254660101 1106126230 /nfs/dbraw/zinc/12/62/30/1106126230.db2.gz FVYSPOCLZHUGLB-DAYGRLMNSA-N 0 3 319.449 3.154 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CN([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC001254660339 1106126281 /nfs/dbraw/zinc/12/62/81/1106126281.db2.gz XHOXXDGMTKDDMX-HUUCEWRRSA-N 0 3 319.449 3.012 20 30 DGEDHN COc1cccc(C(=O)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC001254660513 1106126846 /nfs/dbraw/zinc/12/68/46/1106126846.db2.gz JANGPGSSVONHGY-RHSMWYFYSA-N 0 3 312.413 3.282 20 30 DGEDHN COc1cccc(C(=O)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC001254660515 1106126863 /nfs/dbraw/zinc/12/68/63/1106126863.db2.gz JANGPGSSVONHGY-YOEHRIQHSA-N 0 3 312.413 3.282 20 30 DGEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc(-c4cccnc4)no3)CC2)C1 ZINC001254666052 1106127601 /nfs/dbraw/zinc/12/76/01/1106127601.db2.gz SWXNKGADLXUIQI-BBRMVZONSA-N 0 3 323.400 3.003 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC2(CC[C@H](NCCC#N)C2)CC1 ZINC001254737006 1106137221 /nfs/dbraw/zinc/13/72/21/1106137221.db2.gz XSFKNJZYVVLMGK-AWEZNQCLSA-N 0 3 307.438 3.059 20 30 DGEDHN N#CC1(c2ccccc2)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254947258 1106158922 /nfs/dbraw/zinc/15/89/22/1106158922.db2.gz WOPWRIQDEHJHPR-HZPDHXFCSA-N 0 3 308.425 3.301 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001255152567 1106192426 /nfs/dbraw/zinc/19/24/26/1106192426.db2.gz XOZDRILNCTWKAR-HUUCEWRRSA-N 0 3 321.465 3.448 20 30 DGEDHN CC[C@H](CC#N)NCC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001255156276 1106192919 /nfs/dbraw/zinc/19/29/19/1106192919.db2.gz YWBWIVQVBZKGDC-CABCVRRESA-N 0 3 309.454 3.448 20 30 DGEDHN CC[C@H](CC#N)NCCc1ccc(OCc2ccccn2)cc1 ZINC001255158681 1106193850 /nfs/dbraw/zinc/19/38/50/1106193850.db2.gz LVTAVCHCENWHTD-QGZVFWFLSA-N 0 3 309.413 3.485 20 30 DGEDHN CC[C@@H](CC#N)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255159297 1106193890 /nfs/dbraw/zinc/19/38/90/1106193890.db2.gz SPGQBWOGQARRAU-ZQDZILKHSA-N 0 3 307.438 3.199 20 30 DGEDHN C#CCCCCCC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103315246 1106200671 /nfs/dbraw/zinc/20/06/71/1106200671.db2.gz UNKDKJHYZXOCSO-NVXWUHKLSA-N 0 3 324.896 3.397 20 30 DGEDHN CC1(C)C[C@H](NN=Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001255344212 1106227262 /nfs/dbraw/zinc/22/72/62/1106227262.db2.gz IHJMOTQARFLNKN-MRXNPFEDSA-N 0 3 301.434 3.168 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](N2CCC[C@@H](CC#N)C2)C1 ZINC001255914264 1106342588 /nfs/dbraw/zinc/34/25/88/1106342588.db2.gz HPJOPZKPMXXCRO-LSDHHAIUSA-N 0 3 307.438 3.012 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](N2CCC[C@@H](C#N)CC2)C1 ZINC001255915293 1106343796 /nfs/dbraw/zinc/34/37/96/1106343796.db2.gz MJQIZTGUCJLVCD-CABCVRRESA-N 0 3 307.438 3.012 20 30 DGEDHN C=CCOc1ccccc1[C@@H](C)N[C@H]1CCN(C(=O)OCC)C1 ZINC001256022247 1106357131 /nfs/dbraw/zinc/35/71/31/1106357131.db2.gz ZXMBAHJZEWXPDI-CABCVRRESA-N 0 3 318.417 3.133 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc2cccnc2c1)C(C)C ZINC001278922060 1106396612 /nfs/dbraw/zinc/39/66/12/1106396612.db2.gz GXKZWDKTTDEWAQ-UHFFFAOYSA-N 0 3 323.440 3.041 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCO[C@H](CCC)C1)C(C)C ZINC001278926308 1106399842 /nfs/dbraw/zinc/39/98/42/1106399842.db2.gz GYTQBOVKVGCDSK-QZTJIDSGSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccc(F)cc1)C(C)C ZINC001278926649 1106400984 /nfs/dbraw/zinc/40/09/84/1106400984.db2.gz TZNKZYVTGMQRJL-UHFFFAOYSA-N 0 3 306.425 3.113 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cocc1C)c1ccccc1CC ZINC001278969681 1106498504 /nfs/dbraw/zinc/49/85/04/1106498504.db2.gz OHXGRUSBOJNGGR-IBGZPJMESA-N 0 3 324.424 3.234 20 30 DGEDHN N#CC1CCC(NCc2cc(O)ccc2Br)CC1 ZINC001256959392 1106516156 /nfs/dbraw/zinc/51/61/56/1106516156.db2.gz CYXSKYFSAZGPIW-UHFFFAOYSA-N 0 3 309.207 3.327 20 30 DGEDHN N#CC1CCC(N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC001256968380 1106517724 /nfs/dbraw/zinc/51/77/24/1106517724.db2.gz DUAKCVPBAJJQNL-UHFFFAOYSA-N 0 3 310.401 3.032 20 30 DGEDHN C[C@H]1CN(C2CCC(C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001256971864 1106518396 /nfs/dbraw/zinc/51/83/96/1106518396.db2.gz NHSZUOJZKAORQG-FXQLRMTLSA-N 0 3 321.465 3.398 20 30 DGEDHN CCN([C@@H](C)C(=O)OC)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257022094 1106525723 /nfs/dbraw/zinc/52/57/23/1106525723.db2.gz FGWFZNAHINSHCA-NNGSBXSVSA-N 0 3 314.429 3.468 20 30 DGEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257113927 1106541052 /nfs/dbraw/zinc/54/10/52/1106541052.db2.gz KGUJGBCUMYWKIJ-KFWWJZLASA-N 0 3 309.454 3.446 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](CNCc1cnoc1C)C(C)(C)C ZINC001278996351 1106546225 /nfs/dbraw/zinc/54/62/25/1106546225.db2.gz WJDKSQDSPDLLLG-GDBMZVCRSA-N 0 3 321.465 3.206 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H](C)CCCCC ZINC001257515830 1106601392 /nfs/dbraw/zinc/60/13/92/1106601392.db2.gz VOQQZYVIKRZKPN-WBVHZDCISA-N 0 3 305.466 3.491 20 30 DGEDHN C[C@@H]1C[C@@H](N2CC(CC#N)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257584015 1106609971 /nfs/dbraw/zinc/60/99/71/1106609971.db2.gz OLPCTTGCGNSGHZ-AGGWBTHJSA-N 0 3 307.438 3.008 20 30 DGEDHN C=C1C[C@@H]2CC(N3CCc4onc(COC)c4C3)C[C@H](C1)C2 ZINC001257891154 1106641672 /nfs/dbraw/zinc/64/16/72/1106641672.db2.gz GDLBCQPXQQZSTF-YIONKMFJSA-N 0 3 302.418 3.314 20 30 DGEDHN C=C1C[C@@H]2CC(N3CCN(CC(F)(F)F)CC3)C[C@H](C1)C2 ZINC001257895732 1106643227 /nfs/dbraw/zinc/64/32/27/1106643227.db2.gz ZQTUMOLGPMLLHU-YIONKMFJSA-N 0 3 302.384 3.301 20 30 DGEDHN CCCCCCC[C@H](C)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001258052186 1106664964 /nfs/dbraw/zinc/66/49/64/1106664964.db2.gz MEMCHDIAEQWELO-OKZBNKHCSA-N 0 3 314.489 3.480 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001316898786 1106744804 /nfs/dbraw/zinc/74/48/04/1106744804.db2.gz ZYAHZEILNPWPFR-UHFFFAOYSA-N 0 3 312.457 3.079 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001258461458 1106755094 /nfs/dbraw/zinc/75/50/94/1106755094.db2.gz AIXIGXSWEYJAGT-UHFFFAOYSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)c(C)cc3Cl)C2)C1 ZINC001258462430 1106757870 /nfs/dbraw/zinc/75/78/70/1106757870.db2.gz LLYVQWFHVVLOEO-UHFFFAOYSA-N 0 3 318.848 3.291 20 30 DGEDHN CCN(C/C=C/Cl)CCCNC(=O)CC#Cc1ccccc1 ZINC001316911384 1106758508 /nfs/dbraw/zinc/75/85/08/1106758508.db2.gz QCMQTFUVAXGZGX-NTUHNPAUSA-N 0 3 318.848 3.009 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc(C(C)(C)C)oc1C)C1CC1 ZINC001316924739 1106768689 /nfs/dbraw/zinc/76/86/89/1106768689.db2.gz CDVFRPJYYZNBHQ-UHFFFAOYSA-N 0 3 316.445 3.103 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001316938708 1106788455 /nfs/dbraw/zinc/78/84/55/1106788455.db2.gz XKKLYEADLHXMDK-OAHLLOKOSA-N 0 3 307.438 3.148 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Cl)c(CCC)c1 ZINC001320067647 1106838082 /nfs/dbraw/zinc/83/80/82/1106838082.db2.gz ACFKMDNYPYIGKY-UHFFFAOYSA-N 0 3 320.864 3.320 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001258733945 1106941415 /nfs/dbraw/zinc/94/14/15/1106941415.db2.gz OWYZOZCMRKLOBS-CJNGLKHVSA-N 0 3 300.418 3.280 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccccc2C(C)(C)CC)C1 ZINC001317060799 1106958182 /nfs/dbraw/zinc/95/81/82/1106958182.db2.gz MXFUUECADTUXSK-INIZCTEOSA-N 0 3 312.457 3.202 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)C#CC(C)C)C1 ZINC001317109779 1107005061 /nfs/dbraw/zinc/00/50/61/1107005061.db2.gz NRUBDHLJJLWUHF-GASCZTMLSA-N 0 3 318.848 3.045 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001317113234 1107009096 /nfs/dbraw/zinc/00/90/96/1107009096.db2.gz XHZIVRBJNKVQOJ-GASCZTMLSA-N 0 3 306.837 3.433 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001317118665 1107014096 /nfs/dbraw/zinc/01/40/96/1107014096.db2.gz WZLQMGTZFFUCQU-GASCZTMLSA-N 0 3 304.409 3.083 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001317137922 1107042944 /nfs/dbraw/zinc/04/29/44/1107042944.db2.gz KWVFCAJATVJTPX-AWEZNQCLSA-N 0 3 306.475 3.289 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCc2ccc3c(c2)CCO3)C1 ZINC001320563553 1107056076 /nfs/dbraw/zinc/05/60/76/1107056076.db2.gz ZZDOTCLROBRPCD-UHFFFAOYSA-N 0 3 304.393 3.335 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C2CC2)cc1 ZINC001320646503 1107087060 /nfs/dbraw/zinc/08/70/60/1107087060.db2.gz QGOGJHFIUXABAF-ZDUSSCGKSA-N 0 3 306.837 3.415 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cncc2ccccc21 ZINC001320645692 1107087740 /nfs/dbraw/zinc/08/77/40/1107087740.db2.gz SKIGWQRXHIYQCM-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001317180701 1107101628 /nfs/dbraw/zinc/10/16/28/1107101628.db2.gz MMBYTIMAEJASHY-MJGOQNOKSA-N 0 3 302.462 3.117 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)=C2CCCC2)C1 ZINC001317203377 1107121002 /nfs/dbraw/zinc/12/10/02/1107121002.db2.gz ZBTYWNODKNYSPG-FUHWJXTLSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2ccnc(Cl)c2)CCC1 ZINC001317266750 1107189148 /nfs/dbraw/zinc/18/91/48/1107189148.db2.gz RHHCWXSHOXZBLZ-ZDUSSCGKSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H](C)NCc1cccnc1)c1ccccc1 ZINC001317294269 1107215995 /nfs/dbraw/zinc/21/59/95/1107215995.db2.gz KCRBULNAAPWSHL-AEFFLSMTSA-N 0 3 323.440 3.036 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001317368556 1107271947 /nfs/dbraw/zinc/27/19/47/1107271947.db2.gz ADFAPMGIFRUMLN-INIZCTEOSA-N 0 3 306.475 3.446 20 30 DGEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@H](C)C(C)C)cc1 ZINC001317368870 1107272114 /nfs/dbraw/zinc/27/21/14/1107272114.db2.gz SHQBYJDXSCQHFQ-OAHLLOKOSA-N 0 3 322.880 3.480 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CN[C@H](C)c1cccc(OC)c1 ZINC001321188217 1107278300 /nfs/dbraw/zinc/27/83/00/1107278300.db2.gz GEXJRCGAHISFPL-ZPIQOJFGSA-N 0 3 316.445 3.230 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001317405368 1107324134 /nfs/dbraw/zinc/32/41/34/1107324134.db2.gz JGOPTWSZPRHHFW-BEFAXECRSA-N 0 3 313.445 3.145 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CC(F)(F)F ZINC001317417682 1107342362 /nfs/dbraw/zinc/34/23/62/1107342362.db2.gz BIJDCGYVEMJFDH-NSHDSACASA-N 0 3 312.763 3.052 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1ccc(Cl)cc1OC ZINC001321531312 1107375236 /nfs/dbraw/zinc/37/52/36/1107375236.db2.gz HAOIWXMRWBHONR-CYBMUJFWSA-N 0 3 324.852 3.299 20 30 DGEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2CCCCC2)C1 ZINC001261256266 1107378169 /nfs/dbraw/zinc/37/81/69/1107378169.db2.gz XJCNHUWQTVBPNI-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001317462439 1107414486 /nfs/dbraw/zinc/41/44/86/1107414486.db2.gz BJTYEMRKCYVTKI-UHFFFAOYSA-N 0 3 308.853 3.242 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001317478835 1107433039 /nfs/dbraw/zinc/43/30/39/1107433039.db2.gz YUXZPEGXGKHGKF-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)CC1=CCCCC1 ZINC001321815508 1107439081 /nfs/dbraw/zinc/43/90/81/1107439081.db2.gz WVAJKTNPYCUVRZ-KRWDZBQOSA-N 0 3 310.441 3.023 20 30 DGEDHN N#CCOc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC001321817220 1107440285 /nfs/dbraw/zinc/44/02/85/1107440285.db2.gz BNPZNOVBLNEKPK-SFHVURJKSA-N 0 3 308.381 3.462 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CCCC#CC ZINC001281069340 1107461908 /nfs/dbraw/zinc/46/19/08/1107461908.db2.gz AFPUYRSBFZUAOW-FQEVSTJZSA-N 0 3 324.468 3.299 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](F)CC1CCCCC1 ZINC001317547361 1107517133 /nfs/dbraw/zinc/51/71/33/1107517133.db2.gz KVVWSTGXHUXYDU-KRWDZBQOSA-N 0 3 310.457 3.146 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001322258638 1107596000 /nfs/dbraw/zinc/59/60/00/1107596000.db2.gz PBCDQQYDCQDBAE-HNNXBMFYSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCCC(=O)N1CCC([C@H](C)NCc2csc(C)n2)CC1 ZINC001317679817 1107599335 /nfs/dbraw/zinc/59/93/35/1107599335.db2.gz YKLSXKATWKSJHC-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC12CC2 ZINC001317702028 1107611216 /nfs/dbraw/zinc/61/12/16/1107611216.db2.gz MNQWIOFQGWQIOU-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001322307922 1107623177 /nfs/dbraw/zinc/62/31/77/1107623177.db2.gz SVYNKRJHEVPRPU-YOEHRIQHSA-N 0 3 306.425 3.188 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)Oc1ccccc1)c1ccccc1 ZINC001317726756 1107625159 /nfs/dbraw/zinc/62/51/59/1107625159.db2.gz BUSIXLRBWRQLEB-LPHOPBHVSA-N 0 3 324.424 3.087 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1cc2c([nH]1)CCC2)c1ccccc1 ZINC001317726872 1107625427 /nfs/dbraw/zinc/62/54/27/1107625427.db2.gz FEZHSTVLKGYBEP-LJQANCHMSA-N 0 3 323.440 3.140 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001317727448 1107626253 /nfs/dbraw/zinc/62/62/53/1107626253.db2.gz AIMXLXAFNIZSHH-ZACQAIPSSA-N 0 3 317.477 3.230 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC001317833668 1107696649 /nfs/dbraw/zinc/69/66/49/1107696649.db2.gz VBLLKGRYFMJDDL-HXUWFJFHSA-N 0 3 324.468 3.009 20 30 DGEDHN CCC1(C(=O)N2CC[C@H](CN(C)CC#Cc3ccccc3)C2)CC1 ZINC001317853267 1107709560 /nfs/dbraw/zinc/70/95/60/1107709560.db2.gz JZJIWMMCAOJPDW-LJQANCHMSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001317984539 1107781220 /nfs/dbraw/zinc/78/12/20/1107781220.db2.gz FSNBXJAHLDJWSY-HNNXBMFYSA-N 0 3 320.502 3.474 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccc1 ZINC001318192469 1107889579 /nfs/dbraw/zinc/88/95/79/1107889579.db2.gz AWEFBZOSKOXYHS-BZSNNMDCSA-N 0 3 317.477 3.305 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CC1(c2ccccc2)CC1 ZINC001323246486 1107902492 /nfs/dbraw/zinc/90/24/92/1107902492.db2.gz NOJCYWJEFKGCGN-SFHVURJKSA-N 0 3 312.457 3.265 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001318250327 1107914641 /nfs/dbraw/zinc/91/46/41/1107914641.db2.gz MIMFEZZSLFFPHH-SFHVURJKSA-N 0 3 312.457 3.304 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001318269490 1107921430 /nfs/dbraw/zinc/92/14/30/1107921430.db2.gz SLOXVAGRJWCQEG-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001323302558 1107924116 /nfs/dbraw/zinc/92/41/16/1107924116.db2.gz PFPRHQXHZUNKFU-WBVHZDCISA-N 0 3 315.461 3.364 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001318273703 1107924378 /nfs/dbraw/zinc/92/43/78/1107924378.db2.gz VUDKURNCWBFHPB-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001323309920 1107931168 /nfs/dbraw/zinc/93/11/68/1107931168.db2.gz PDWCAISAMQFWJF-HOCLYGCPSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001323325178 1107937601 /nfs/dbraw/zinc/93/76/01/1107937601.db2.gz SNOAOYVMKDPURU-KRWDZBQOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001323339418 1107943477 /nfs/dbraw/zinc/94/34/77/1107943477.db2.gz GCNFCAPICWWQEW-BBRMVZONSA-N 0 3 306.837 3.499 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccsc1C(F)F ZINC001323340885 1107945813 /nfs/dbraw/zinc/94/58/13/1107945813.db2.gz RHOCUIJGTLBFHP-NSHDSACASA-N 0 3 314.401 3.456 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001323458118 1107980396 /nfs/dbraw/zinc/98/03/96/1107980396.db2.gz UJDMGXGMMXTDQU-UHFFFAOYSA-N 0 3 306.475 3.460 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CC)C2CCC(C)CC2)CC1 ZINC001323459207 1107982419 /nfs/dbraw/zinc/98/24/19/1107982419.db2.gz FMKANVQXQUXMKJ-JCYILVPMSA-N 0 3 304.478 3.101 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC(C)(C)CC(F)F)C1 ZINC001318416451 1107990097 /nfs/dbraw/zinc/99/00/97/1107990097.db2.gz NWBCCWFWRHDAJO-ZDUSSCGKSA-N 0 3 302.409 3.167 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC001318422355 1107994001 /nfs/dbraw/zinc/99/40/01/1107994001.db2.gz HXNUPKWSIRLNSG-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001323518104 1107997239 /nfs/dbraw/zinc/99/72/39/1107997239.db2.gz GOXPKHCWYNRZIF-CQSZACIVSA-N 0 3 306.475 3.397 20 30 DGEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC001263374034 1108029486 /nfs/dbraw/zinc/02/94/86/1108029486.db2.gz YURACEQODANQKO-FMBSFYNOSA-N 0 3 318.373 3.283 20 30 DGEDHN CCCCC(=O)NC[C@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001318501621 1108063786 /nfs/dbraw/zinc/06/37/86/1108063786.db2.gz HFCNUNODCIOILF-KRWDZBQOSA-N 0 3 320.864 3.366 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCC=C(Cl)Cl ZINC001318569367 1108102789 /nfs/dbraw/zinc/10/27/89/1108102789.db2.gz IIGNWDSESOOREH-BXUZGUMPSA-N 0 3 307.265 3.392 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(CC)CC)NCC#Cc1ccccc1 ZINC001318603937 1108121148 /nfs/dbraw/zinc/12/11/48/1108121148.db2.gz QCZSHCTUEBCGAV-SFHVURJKSA-N 0 3 314.473 3.349 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CCC=CCC1)C1CC1 ZINC001318725630 1108168544 /nfs/dbraw/zinc/16/85/44/1108168544.db2.gz CMPPCWFSBRFNJM-QGZVFWFLSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccccn2)CCCC[C@@H]1C ZINC001318745554 1108179908 /nfs/dbraw/zinc/17/99/08/1108179908.db2.gz YXQWMCNEFIXWCH-SUMWQHHRSA-N 0 3 321.852 3.102 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ncccc1C ZINC001324236006 1108217834 /nfs/dbraw/zinc/21/78/34/1108217834.db2.gz NFPZPYHIFASBQN-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)cc1C ZINC001263810406 1108218493 /nfs/dbraw/zinc/21/84/93/1108218493.db2.gz XAXDFUVZWMVTGG-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001263856749 1108263204 /nfs/dbraw/zinc/26/32/04/1108263204.db2.gz BOFIMOPTTCKYNP-CTYIDZIISA-N 0 3 306.837 3.291 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2occc2C(C)C)cc1 ZINC001318998278 1108270284 /nfs/dbraw/zinc/27/02/84/1108270284.db2.gz CSYAIKYFYLGPPF-UHFFFAOYSA-N 0 3 310.397 3.056 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001263880372 1108281860 /nfs/dbraw/zinc/28/18/60/1108281860.db2.gz MAADCNPZEAILIO-BFYDXBDKSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001263880584 1108282118 /nfs/dbraw/zinc/28/21/18/1108282118.db2.gz STQCQNPBZLWRPV-DTZQCDIJSA-N 0 3 312.885 3.440 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001263885624 1108283472 /nfs/dbraw/zinc/28/34/72/1108283472.db2.gz FPECJXRWJUDELO-PAIZGLMTSA-N 0 3 322.452 3.116 20 30 DGEDHN C=CCCCC(=O)NCCC1CCN(Cc2cnoc2C)CC1 ZINC001319031466 1108285867 /nfs/dbraw/zinc/28/58/67/1108285867.db2.gz JXEQQCWORPGKNV-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CN[C@H](C)c1ccccc1F ZINC001319065418 1108298407 /nfs/dbraw/zinc/29/84/07/1108298407.db2.gz CMMJXHYMDBWETJ-HZPDHXFCSA-N 0 3 316.420 3.127 20 30 DGEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001324608511 1108375474 /nfs/dbraw/zinc/37/54/74/1108375474.db2.gz QCGMUGZIEBOSCC-HXUWFJFHSA-N 0 3 323.440 3.052 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001324641523 1108392448 /nfs/dbraw/zinc/39/24/48/1108392448.db2.gz LSQTXXXWVLUDTG-VQIMIIECSA-N 0 3 300.446 3.370 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001324671396 1108417156 /nfs/dbraw/zinc/41/71/56/1108417156.db2.gz DHPKOXHJCKKKRH-YLJYHZDGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)n(CC)c1C ZINC001264183770 1108420572 /nfs/dbraw/zinc/42/05/72/1108420572.db2.gz ZISRFCFLWIYEDU-KRWDZBQOSA-N 0 3 317.477 3.237 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(CC(C)C)c[nH]1 ZINC001264187154 1108421650 /nfs/dbraw/zinc/42/16/50/1108421650.db2.gz HHEVCAXOYYCFJZ-KRWDZBQOSA-N 0 3 317.477 3.326 20 30 DGEDHN C=C[C@@H](COC)NCc1ccnc2c(Br)cccc12 ZINC001324693004 1108428883 /nfs/dbraw/zinc/42/88/83/1108428883.db2.gz OHQMFSYQUSGMCS-LBPRGKRZSA-N 0 3 321.218 3.288 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccns3)CCCC2)C1 ZINC001319375422 1108435298 /nfs/dbraw/zinc/43/52/98/1108435298.db2.gz WVFJMJZXWHJEST-UHFFFAOYSA-N 0 3 319.474 3.018 20 30 DGEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)C1CCCCC1 ZINC001264209417 1108436577 /nfs/dbraw/zinc/43/65/77/1108436577.db2.gz RRBMUXROZCXXFA-UHFFFAOYSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001319429528 1108461839 /nfs/dbraw/zinc/46/18/39/1108461839.db2.gz IMERGZZCQRXWEK-STQMWFEESA-N 0 3 310.388 3.429 20 30 DGEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001319429526 1108462159 /nfs/dbraw/zinc/46/21/59/1108462159.db2.gz IMERGZZCQRXWEK-OLZOCXBDSA-N 0 3 310.388 3.429 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cc2ccccc2o1 ZINC001264366465 1108473285 /nfs/dbraw/zinc/47/32/85/1108473285.db2.gz DSSMPECRBZIAKN-INIZCTEOSA-N 0 3 312.413 3.084 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(C(F)F)CCCC1 ZINC001264369431 1108479103 /nfs/dbraw/zinc/47/91/03/1108479103.db2.gz WKHCJTKHMZHNGS-AWEZNQCLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001324943480 1108528479 /nfs/dbraw/zinc/52/84/79/1108528479.db2.gz IVCANHVZZYIMFB-LJQANCHMSA-N 0 3 311.429 3.186 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccc3ccncc32)C1 ZINC001324971942 1108544787 /nfs/dbraw/zinc/54/47/87/1108544787.db2.gz LVOQOWIBCDHKHR-HXUWFJFHSA-N 0 3 323.440 3.253 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C=C(CC)CC)C2)CC1 ZINC001264495711 1108552837 /nfs/dbraw/zinc/55/28/37/1108552837.db2.gz NZHHNCVOZKIYST-INIZCTEOSA-N 0 3 302.462 3.069 20 30 DGEDHN CCC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCCC1 ZINC001319643625 1108571046 /nfs/dbraw/zinc/57/10/46/1108571046.db2.gz RLIGUGRJFQNCAE-IBGZPJMESA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cccs1 ZINC001319724146 1108610922 /nfs/dbraw/zinc/61/09/22/1108610922.db2.gz PTRKLYIDJYXMRS-CYBMUJFWSA-N 0 3 312.866 3.475 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)CCc2ccc(F)cc2)[C@H]1C ZINC001264705620 1108627035 /nfs/dbraw/zinc/62/70/35/1108627035.db2.gz XIYPSIFAKUMMRO-RKVPGOIHSA-N 0 3 318.436 3.159 20 30 DGEDHN C[C@@H](COc1ccccc1F)NCc1ccc(C#N)cc1F ZINC001319834243 1108656280 /nfs/dbraw/zinc/65/62/80/1108656280.db2.gz OZHDVTGKEDQONG-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCC1CCCC1)C(C)C ZINC001319893602 1108682201 /nfs/dbraw/zinc/68/22/01/1108682201.db2.gz ANNIOQDYEIPHFU-HNNXBMFYSA-N 0 3 300.874 3.440 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001319907100 1108690010 /nfs/dbraw/zinc/69/00/10/1108690010.db2.gz PUJAIATXTFLUNV-PKOBYXMFSA-N 0 3 314.473 3.205 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001265049561 1108711230 /nfs/dbraw/zinc/71/12/30/1108711230.db2.gz NYTSTXRTDKIVJC-UHFFFAOYSA-N 0 3 300.446 3.059 20 30 DGEDHN CC#CCN(CCCNC(=O)C1(C)C(C)(C)C1(C)C)C1CC1 ZINC001265186236 1108763672 /nfs/dbraw/zinc/76/36/72/1108763672.db2.gz LPMYNRDYFLIBBT-UHFFFAOYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001265203686 1108774536 /nfs/dbraw/zinc/77/45/36/1108774536.db2.gz ONKIRCBSORCFQE-MRXNPFEDSA-N 0 3 319.449 3.232 20 30 DGEDHN Cc1ccccc1[C@H](C)N1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001265212662 1108780113 /nfs/dbraw/zinc/78/01/13/1108780113.db2.gz DHYRWQPLKHLNAC-WMZOPIPTSA-N 0 3 310.441 3.050 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001265230760 1108792420 /nfs/dbraw/zinc/79/24/20/1108792420.db2.gz LGAMNNHTBFYKCI-PKOBYXMFSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001265297145 1108810254 /nfs/dbraw/zinc/81/02/54/1108810254.db2.gz KUCGEAHUOUYPBO-KRWDZBQOSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCCCF)C2)CCCC1 ZINC001265321703 1108826653 /nfs/dbraw/zinc/82/66/53/1108826653.db2.gz OYQIWMSAQOYRKC-MRXNPFEDSA-N 0 3 310.457 3.453 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001265403661 1108864022 /nfs/dbraw/zinc/86/40/22/1108864022.db2.gz OGSVNXKMFTUREK-ZACQAIPSSA-N 0 3 313.445 3.034 20 30 DGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(F)F ZINC001265405063 1108864160 /nfs/dbraw/zinc/86/41/60/1108864160.db2.gz MHDYRTUMOLUSMR-QLFBSQMISA-N 0 3 314.420 3.287 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001265411188 1108866419 /nfs/dbraw/zinc/86/64/19/1108866419.db2.gz FCBGBRWQPZHXRB-VQHPVUNQSA-N 0 3 316.445 3.413 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001265411189 1108866597 /nfs/dbraw/zinc/86/65/97/1108866597.db2.gz FCBGBRWQPZHXRB-VVLHAWIVSA-N 0 3 316.445 3.413 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001265432145 1108870513 /nfs/dbraw/zinc/87/05/13/1108870513.db2.gz AZTCUZLPNYYMBU-GJZGRUSLSA-N 0 3 304.409 3.434 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001265536849 1108903232 /nfs/dbraw/zinc/90/32/32/1108903232.db2.gz CATYMCMJCZODSN-OKILXGFUSA-N 0 3 322.811 3.019 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001265603636 1108930757 /nfs/dbraw/zinc/93/07/57/1108930757.db2.gz ZFLVNNHEGZPBTB-OXBCTQFSSA-N 0 3 305.249 3.100 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)COC1CCC(C)CC1 ZINC001265658314 1108955114 /nfs/dbraw/zinc/95/51/14/1108955114.db2.gz WNGPSMPKQNCSJN-LXPRWKDFSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001265705989 1108977540 /nfs/dbraw/zinc/97/75/40/1108977540.db2.gz PJYCKNHJPDHAEC-QAPCUYQASA-N 0 3 316.489 3.053 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CCC)CCC2)C1 ZINC001265706507 1108977750 /nfs/dbraw/zinc/97/77/50/1108977750.db2.gz WUUJZCBAOHJGJD-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CCC)CCC2)C1 ZINC001265706510 1108977954 /nfs/dbraw/zinc/97/79/54/1108977954.db2.gz WUUJZCBAOHJGJD-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN CCC(C)(C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001265778974 1109001913 /nfs/dbraw/zinc/00/19/13/1109001913.db2.gz CJQNSVRDLZPPDQ-GFCCVEGCSA-N 0 3 307.463 3.040 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001265808555 1109009972 /nfs/dbraw/zinc/00/99/72/1109009972.db2.gz GKTKINFXNUPAPT-RYUDHWBXSA-N 0 3 310.388 3.332 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@H](C)C(C)C ZINC001266089338 1109085690 /nfs/dbraw/zinc/08/56/90/1109085690.db2.gz IAYOSSUERJLXNR-SFHVURJKSA-N 0 3 314.473 3.158 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C/C=C\Cc2ccccc2)C1 ZINC001266103502 1109090236 /nfs/dbraw/zinc/09/02/36/1109090236.db2.gz RQSURJLPQYIHQM-GWQNQTGSSA-N 0 3 324.468 3.122 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC001266103585 1109091463 /nfs/dbraw/zinc/09/14/63/1109091463.db2.gz SZUOVXJRYNADCQ-QGZVFWFLSA-N 0 3 304.478 3.293 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266116957 1109098485 /nfs/dbraw/zinc/09/84/85/1109098485.db2.gz PQWIBKUTVZCFFW-IRXDYDNUSA-N 0 3 306.494 3.395 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@H]1CCCc2ccccc21)C1CC1 ZINC001266142611 1109106742 /nfs/dbraw/zinc/10/67/42/1109106742.db2.gz CETDCVVMPPBTLN-FQEVSTJZSA-N 0 3 324.468 3.101 20 30 DGEDHN CC(C)C#CC(=O)NCC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC001266144748 1109107212 /nfs/dbraw/zinc/10/72/12/1109107212.db2.gz YYURMAWMTRPUEN-UONOGXRCSA-N 0 3 322.399 3.170 20 30 DGEDHN CC#CCN(CCCNC(=O)[C@@H]1CCCC[C@H]1C1CC1)C1CC1 ZINC001266149938 1109108706 /nfs/dbraw/zinc/10/87/06/1109108706.db2.gz MFWRREABQAQBSD-RBUKOAKNSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001266169786 1109113792 /nfs/dbraw/zinc/11/37/92/1109113792.db2.gz HKJSDYAEYDTVMD-CYBMUJFWSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)/C=C\c1ccco1 ZINC001266199267 1109124559 /nfs/dbraw/zinc/12/45/59/1109124559.db2.gz YIFSBAKMHDJCGE-CDNLZTBQSA-N 0 3 322.836 3.406 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001279311105 1109146872 /nfs/dbraw/zinc/14/68/72/1109146872.db2.gz GGBJVGOOYKUTTJ-SLFFLAALSA-N 0 3 324.468 3.064 20 30 DGEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CCC)CC3CCCC3)C[C@@H]2C1 ZINC001279396000 1109150629 /nfs/dbraw/zinc/15/06/29/1109150629.db2.gz PSOGJALPSFGRPN-QRVBRYPASA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C[C@@H]2CC=CCC2)c(F)c1 ZINC001279716028 1109161481 /nfs/dbraw/zinc/16/14/81/1109161481.db2.gz MWZINFZNWRPILJ-OAHLLOKOSA-N 0 3 316.420 3.464 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2sccc2C)C1 ZINC001279940876 1109168828 /nfs/dbraw/zinc/16/88/28/1109168828.db2.gz JHEHCHRRZJMWHL-ZDUSSCGKSA-N 0 3 312.866 3.251 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CCC(C)(F)F ZINC001280325260 1109186221 /nfs/dbraw/zinc/18/62/21/1109186221.db2.gz SYTKZUADRHVTAL-UHFFFAOYSA-N 0 3 322.399 3.193 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CC/C=C\c2ccccc2)CC1 ZINC001280760850 1109249741 /nfs/dbraw/zinc/24/97/41/1109249741.db2.gz SUFVFVNKYWUNAS-SUJSUNJESA-N 0 3 324.468 3.474 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)C3(CCF)CC3)cc2C1 ZINC001281298244 1109326459 /nfs/dbraw/zinc/32/64/59/1109326459.db2.gz HVUSYFJNIUIJEF-UHFFFAOYSA-N 0 3 316.420 3.334 20 30 DGEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2cccc(F)c2F)C1 ZINC001281748239 1109403343 /nfs/dbraw/zinc/40/33/43/1109403343.db2.gz UWYCJHNMKKSYFB-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC1CC(CNCc2nc(C)cs2)C1 ZINC001282052851 1109437696 /nfs/dbraw/zinc/43/76/96/1109437696.db2.gz KRUCNHNJQYMRHM-MQBCKMQZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001282075752 1109443018 /nfs/dbraw/zinc/44/30/18/1109443018.db2.gz KRNFKFHDQXIQRY-UHFFFAOYSA-N 0 3 318.751 3.068 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)cc1F ZINC001282122887 1109453807 /nfs/dbraw/zinc/45/38/07/1109453807.db2.gz HXZAYNLJBAVPMX-QWHCGFSZSA-N 0 3 324.827 3.265 20 30 DGEDHN CC(C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1)=C1CCC1 ZINC001282128894 1109454474 /nfs/dbraw/zinc/45/44/74/1109454474.db2.gz OYHSXFVGEYQCAB-OLZOCXBDSA-N 0 3 317.458 3.103 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1c(C)nsc1C ZINC001282133086 1109455595 /nfs/dbraw/zinc/45/55/95/1109455595.db2.gz JLLQPUBQENCYRL-NEPJUHHUSA-N 0 3 323.506 3.345 20 30 DGEDHN C#CCCCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282168289 1109461519 /nfs/dbraw/zinc/46/15/19/1109461519.db2.gz QIGKSFWPSMHTJM-RTBURBONSA-N 0 3 324.468 3.105 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001282186098 1109465323 /nfs/dbraw/zinc/46/53/23/1109465323.db2.gz RXDPJBOEXUTQFD-LSDHHAIUSA-N 0 3 318.436 3.096 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2cc(F)cc(F)c2)C1 ZINC001282185765 1109465598 /nfs/dbraw/zinc/46/55/98/1109465598.db2.gz QXBWUCGXSFRELD-QWHCGFSZSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1[nH]c2ccccc2c1Cl ZINC001282428048 1109506837 /nfs/dbraw/zinc/50/68/37/1109506837.db2.gz ZENJGBZVUNTJNU-NSHDSACASA-N 0 3 305.809 3.057 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001282478559 1109521250 /nfs/dbraw/zinc/52/12/50/1109521250.db2.gz RCXFLQSQHXMPFA-FUHWJXTLSA-N 0 3 302.462 3.439 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001282477813 1109521448 /nfs/dbraw/zinc/52/14/48/1109521448.db2.gz JJCRCIWBRDJXGM-MAUKXSAKSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](F)C(C)C)CCCCC1 ZINC001282619161 1109537631 /nfs/dbraw/zinc/53/76/31/1109537631.db2.gz KRYMBBCCWULYRU-ZDUSSCGKSA-N 0 3 304.837 3.142 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C(C)C)CCCCC1 ZINC001282623419 1109538328 /nfs/dbraw/zinc/53/83/28/1109538328.db2.gz AQGUNWJINAPZKO-CQSZACIVSA-N 0 3 300.874 3.440 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001282734863 1109558400 /nfs/dbraw/zinc/55/84/00/1109558400.db2.gz SFYHYWQLJHPZHA-KRWDZBQOSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001282745655 1109562160 /nfs/dbraw/zinc/56/21/60/1109562160.db2.gz VYJACZJNBDFTEA-KGLIPLIRSA-N 0 3 320.864 3.456 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(C)s2)C(C)(C)C1 ZINC001282845036 1109574316 /nfs/dbraw/zinc/57/43/16/1109574316.db2.gz PDLUAJCYWYIFEW-OAHLLOKOSA-N 0 3 306.475 3.002 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001283030519 1109588391 /nfs/dbraw/zinc/58/83/91/1109588391.db2.gz HUVKAKHTJIBEGB-AULYBMBSSA-N 0 3 300.805 3.021 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001283091932 1109593857 /nfs/dbraw/zinc/59/38/57/1109593857.db2.gz NOKKTLLUMYDOKY-YHUYYLMFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCCC(=O)N1CCC(N(C)Cc2c(C)nsc2C)CC1 ZINC001283297358 1109610904 /nfs/dbraw/zinc/61/09/04/1109610904.db2.gz YDHIOBBQFSXLSA-UHFFFAOYSA-N 0 3 321.490 3.149 20 30 DGEDHN Cc1ccccc1C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001283567859 1109654189 /nfs/dbraw/zinc/65/41/89/1109654189.db2.gz YGVDAUPUXPBESZ-SFHVURJKSA-N 0 3 320.436 3.097 20 30 DGEDHN CCC(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001283572768 1109655701 /nfs/dbraw/zinc/65/57/01/1109655701.db2.gz RFXNVHLEEAORAU-CYBMUJFWSA-N 0 3 319.424 3.070 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001283591617 1109657547 /nfs/dbraw/zinc/65/75/47/1109657547.db2.gz MYVGZLFQRDJRCV-KBPBESRZSA-N 0 3 319.424 3.070 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(C)cc1Cl ZINC001283606339 1109659697 /nfs/dbraw/zinc/65/96/97/1109659697.db2.gz PRTXACZKKBMABR-HNNXBMFYSA-N 0 3 320.864 3.388 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001283664166 1109668883 /nfs/dbraw/zinc/66/88/83/1109668883.db2.gz VGQZSXOEMKAPNC-PXNSSMCTSA-N 0 3 312.457 3.077 20 30 DGEDHN O=C(CCC1CCC1)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001316630225 1109686524 /nfs/dbraw/zinc/68/65/24/1109686524.db2.gz BOGDGAGIAVDLAP-MXVIHJGJSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2OC)[C@H]1C ZINC001283865560 1109691107 /nfs/dbraw/zinc/69/11/07/1109691107.db2.gz HSNHHEQWCBYEME-NVXWUHKLSA-N 0 3 316.445 3.049 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3cscc3s2)C1 ZINC001283998342 1109713229 /nfs/dbraw/zinc/71/32/29/1109713229.db2.gz HFKLEFBZVHCCJN-YPMHNXCESA-N 0 3 318.467 3.179 20 30 DGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c3ccccc23)C1 ZINC001284013684 1109715469 /nfs/dbraw/zinc/71/54/69/1109715469.db2.gz JXFBTOXGGJRPKV-SJORKVTESA-N 0 3 320.436 3.364 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cc(F)cc(F)c1)C(C)C ZINC001284558530 1109811602 /nfs/dbraw/zinc/81/16/02/1109811602.db2.gz NLKFWRIAJVCBRA-UHFFFAOYSA-N 0 3 310.388 3.323 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC(=C)C)C1 ZINC001284737954 1109852484 /nfs/dbraw/zinc/85/24/84/1109852484.db2.gz OSRYOTWUCQGDBK-KBPBESRZSA-N 0 3 318.383 3.288 20 30 DGEDHN C=C(C)[C@H](CC(=O)NCC1=CCN(CC=C(C)C)CC1)OCC ZINC001284920245 1109881011 /nfs/dbraw/zinc/88/10/11/1109881011.db2.gz CIQHHWQLRQVXCV-SFHVURJKSA-N 0 3 320.477 3.072 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001284994051 1109889378 /nfs/dbraw/zinc/88/93/78/1109889378.db2.gz BQKNUQOQRHDBPW-IBGZPJMESA-N 0 3 302.462 3.447 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](C)c2ccccc2)C1 ZINC001316640068 1109982266 /nfs/dbraw/zinc/98/22/66/1109982266.db2.gz VNBQVBRMEFSIDF-QRTARXTBSA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2(C)CC2)C1 ZINC001316645287 1110163817 /nfs/dbraw/zinc/16/38/17/1110163817.db2.gz QUXWGZRUIQYUJN-ZWKOTPCHSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN(C)CCN(CC)c1nc(CC)nc2sccc21 ZINC001307153291 1111272285 /nfs/dbraw/zinc/27/22/85/1111272285.db2.gz LVLQPDKXYYCTIK-UHFFFAOYSA-N 0 3 304.463 3.198 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(N(C)C)n1 ZINC001307439388 1111300338 /nfs/dbraw/zinc/30/03/38/1111300338.db2.gz XZTHLKOQLCEDPZ-UHFFFAOYSA-N 0 3 308.429 3.430 20 30 DGEDHN N#Cc1ccnc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC001307575831 1111315182 /nfs/dbraw/zinc/31/51/82/1111315182.db2.gz BFFWEJZBXUIQKY-RBUKOAKNSA-N 0 3 307.397 3.041 20 30 DGEDHN CCN1[C@H](C)CN(Cc2cc(Cl)ccc2OCC#N)C[C@@H]1C ZINC001307887266 1111351462 /nfs/dbraw/zinc/35/14/62/1111351462.db2.gz JCFPANLQYQFLKH-OKILXGFUSA-N 0 3 321.852 3.157 20 30 DGEDHN C=CC[C@H]1CCN(CCOc2ccc(C(=O)OC)cc2Cl)C1 ZINC001307960623 1111359931 /nfs/dbraw/zinc/35/99/31/1111359931.db2.gz AINOADXEJZQSBZ-ZDUSSCGKSA-N 0 3 323.820 3.403 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3ccc(CC)cc3)CC2)C1=O ZINC001307977566 1111361970 /nfs/dbraw/zinc/36/19/70/1111361970.db2.gz ZSAUCOREWDTIGO-LJQANCHMSA-N 0 3 312.457 3.215 20 30 DGEDHN C[C@H]1CC[C@](CO)(NCc2ccc(C#N)cc2)c2ccccc21 ZINC001308157649 1111386312 /nfs/dbraw/zinc/38/63/12/1111386312.db2.gz HAOUXUOALPNFCS-MGPUTAFESA-N 0 3 306.409 3.433 20 30 DGEDHN N#Cc1ccc(OCCCN2CCCC[C@]23CCCOC3)cc1 ZINC001308169361 1111389010 /nfs/dbraw/zinc/38/90/10/1111389010.db2.gz BBDPXTUHSARWHD-LJQANCHMSA-N 0 3 314.429 3.362 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)cc1F ZINC001308733828 1111467645 /nfs/dbraw/zinc/46/76/45/1111467645.db2.gz YCHLJDRVVFUCOL-MRXNPFEDSA-N 0 3 322.742 3.313 20 30 DGEDHN CC[C@@H]1CCC[C@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC001308793804 1111475648 /nfs/dbraw/zinc/47/56/48/1111475648.db2.gz ZRWMMGWKBYEIFD-SJORKVTESA-N 0 3 312.461 3.292 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@H]2OCc3ccccc32)C1 ZINC001308981023 1111504573 /nfs/dbraw/zinc/50/45/73/1111504573.db2.gz FNTQOUGVHOGHCR-SKINQDTJSA-N 0 3 304.393 3.471 20 30 DGEDHN CCCCCCCS(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC001309060763 1111510514 /nfs/dbraw/zinc/51/05/14/1111510514.db2.gz SMAVVFHQXGDGPT-HOTGVXAUSA-N 0 3 318.527 3.139 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C=C)c2ccccc2)CC(C)(C)C1 ZINC001316810882 1111776239 /nfs/dbraw/zinc/77/62/39/1111776239.db2.gz KDAMSRYYSOQRMX-MOPGFXCFSA-N 0 3 324.468 3.196 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1coc2ccc(CC)cc12 ZINC001316824649 1111779171 /nfs/dbraw/zinc/77/91/71/1111779171.db2.gz KMCZWCIFBZAXCH-UHFFFAOYSA-N 0 3 312.413 3.070 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cncc(F)c1 ZINC001316875195 1111787621 /nfs/dbraw/zinc/78/76/21/1111787621.db2.gz WFRKYRNQMZSVAC-PBHICJAKSA-N 0 3 319.424 3.046 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001316874178 1111787945 /nfs/dbraw/zinc/78/79/45/1111787945.db2.gz IVNKRVDSYFOLOT-HIFRSBDPSA-N 0 3 310.825 3.313 20 30 DGEDHN CN(C)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC000278465274 214170767 /nfs/dbraw/zinc/17/07/67/214170767.db2.gz BQCAGEQFXVGBME-NSHDSACASA-N 0 3 306.822 3.383 20 30 DGEDHN C[C@H]1[C@H](NCc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000309820460 231104760 /nfs/dbraw/zinc/10/47/60/231104760.db2.gz PJFCCOVFHMDGIH-KBXCAEBGSA-N 0 3 311.454 3.372 20 30 DGEDHN CCc1ccc(CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428788107 529628264 /nfs/dbraw/zinc/62/82/64/529628264.db2.gz VYOQEYFMNJNMQQ-IBGZPJMESA-N 0 3 321.424 3.211 20 30 DGEDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cc(C#N)ccc1C ZINC000415056338 529615305 /nfs/dbraw/zinc/61/53/05/529615305.db2.gz NYGGSWSGQYTKHI-QGZVFWFLSA-N 0 3 322.412 3.251 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@H](Cc2ccccc2)C2CC2)c1 ZINC000181558168 199316525 /nfs/dbraw/zinc/31/65/25/199316525.db2.gz MRTFCENKLZJFIK-LJQANCHMSA-N 0 3 319.408 3.108 20 30 DGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cccc(O)c1 ZINC000181579767 199320726 /nfs/dbraw/zinc/32/07/26/199320726.db2.gz YCJOPZHQATWSQC-CYBMUJFWSA-N 0 3 312.369 3.002 20 30 DGEDHN CN(CCC(=O)N(C)CCC#N)Cc1csc2ccccc12 ZINC000179191369 529870655 /nfs/dbraw/zinc/87/06/55/529870655.db2.gz ILIDZFNSZGXGOV-UHFFFAOYSA-N 0 3 315.442 3.095 20 30 DGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc(C#N)cc1F ZINC000413180751 529955336 /nfs/dbraw/zinc/95/53/36/529955336.db2.gz ZGSYQBBDVCPPPR-INIZCTEOSA-N 0 3 324.403 3.051 20 30 DGEDHN CN(Cc1ccc(O)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433388808 529989232 /nfs/dbraw/zinc/98/92/32/529989232.db2.gz VQHBYMVZTVJJIF-KRWDZBQOSA-N 0 3 308.381 3.123 20 30 DGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCCOC1 ZINC000348710322 530014696 /nfs/dbraw/zinc/01/46/96/530014696.db2.gz OLUPRQCSGUYINF-SFHVURJKSA-N 0 3 324.428 3.075 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104696445 432016868 /nfs/dbraw/zinc/01/68/68/432016868.db2.gz KEPVIMFPOSJNNA-KXBFYZLASA-N 0 3 313.445 3.126 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000105487559 432018754 /nfs/dbraw/zinc/01/87/54/432018754.db2.gz YSWQDCGWUWITRP-AWEZNQCLSA-N 0 3 323.396 3.398 20 30 DGEDHN CN(C)c1cccc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000105435021 432018898 /nfs/dbraw/zinc/01/88/98/432018898.db2.gz AOICENJAUMOIQG-UHFFFAOYSA-N 0 3 322.456 3.392 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)cc2C)CC1 ZINC000106325045 432020019 /nfs/dbraw/zinc/02/00/19/432020019.db2.gz WRSKRESRXOYIBW-UHFFFAOYSA-N 0 3 317.433 3.166 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000106275189 432020081 /nfs/dbraw/zinc/02/00/81/432020081.db2.gz YHXDEWZBFPXNGH-GOSISDBHSA-N 0 3 319.493 3.391 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000106039741 432020682 /nfs/dbraw/zinc/02/06/82/432020682.db2.gz TUCDORRQOHLTIZ-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000106324188 432020460 /nfs/dbraw/zinc/02/04/60/432020460.db2.gz RDHSIDOEKAIMKR-UHFFFAOYSA-N 0 3 312.417 3.029 20 30 DGEDHN N#Cc1ccccc1COc1cccc(CNC[C@H]2CCCO2)c1 ZINC000066905107 432023602 /nfs/dbraw/zinc/02/36/02/432023602.db2.gz QCFBNMPXXSHLPK-HXUWFJFHSA-N 0 3 322.408 3.406 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000179712404 186209249 /nfs/dbraw/zinc/20/92/49/186209249.db2.gz MYJCKJTWCGCBGG-INIZCTEOSA-N 0 3 313.401 3.322 20 30 DGEDHN C=CCN1CCC(N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000177905395 186202122 /nfs/dbraw/zinc/20/21/22/186202122.db2.gz OALHXCJNOXPVTA-CQSZACIVSA-N 0 3 304.434 3.005 20 30 DGEDHN C=C(C)CN1CCC(NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000172119989 198042561 /nfs/dbraw/zinc/04/25/61/198042561.db2.gz WPLISWMFHKTXKO-UHFFFAOYSA-N 0 3 318.852 3.118 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000172290219 198071893 /nfs/dbraw/zinc/07/18/93/198071893.db2.gz LMWKKNPBELYFBX-MRXNPFEDSA-N 0 3 300.446 3.255 20 30 DGEDHN Cc1cn2c(n1)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708089 234025330 /nfs/dbraw/zinc/02/53/30/234025330.db2.gz AYRCYOPXOPZEKU-HIFRSBDPSA-N 0 3 312.392 3.431 20 30 DGEDHN N#Cc1cccc(CNC2(c3cccc(F)c3)CCOCC2)c1 ZINC000174648904 198364619 /nfs/dbraw/zinc/36/46/19/198364619.db2.gz RKGCLRDKHUXWLS-UHFFFAOYSA-N 0 3 310.372 3.493 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000175978833 198532773 /nfs/dbraw/zinc/53/27/73/198532773.db2.gz AYCHVCLYOMNPAT-ZDUSSCGKSA-N 0 3 301.777 3.173 20 30 DGEDHN N#CC1(CCN2CCSC3(CCOCC3)C2)CCCCC1 ZINC000411547750 283045478 /nfs/dbraw/zinc/04/54/78/283045478.db2.gz WVVFHFKFAJECAO-UHFFFAOYSA-N 0 3 308.491 3.449 20 30 DGEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2CSCCS2)C1 ZINC000119200672 283049341 /nfs/dbraw/zinc/04/93/41/283049341.db2.gz CSHPEJLOIYBRGT-HWOWSKLDSA-N 0 3 304.484 3.049 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000280638210 283149342 /nfs/dbraw/zinc/14/93/42/283149342.db2.gz ZHGFACCLSOMQML-GOSISDBHSA-N 0 3 321.424 3.423 20 30 DGEDHN CCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000343623965 283188927 /nfs/dbraw/zinc/18/89/27/283188927.db2.gz MIGBBPXFTXIWAQ-OAHLLOKOSA-N 0 3 317.433 3.062 20 30 DGEDHN N#Cc1cccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000179561199 432062649 /nfs/dbraw/zinc/06/26/49/432062649.db2.gz HWGSEGOSEUBHRC-UHFFFAOYSA-N 0 3 308.381 3.307 20 30 DGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](N)c1ccccc1 ZINC000237269941 202211588 /nfs/dbraw/zinc/21/15/88/202211588.db2.gz ABIWZIXRWIUZNN-IBGZPJMESA-N 0 3 324.424 3.300 20 30 DGEDHN COc1ccc(COCCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000179747528 199075064 /nfs/dbraw/zinc/07/50/64/199075064.db2.gz VGAHQHSJIFCUOY-OAHLLOKOSA-N 0 3 310.397 3.434 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCSC2(CCOCC2)C1 ZINC000186821973 200017244 /nfs/dbraw/zinc/01/72/44/200017244.db2.gz NSFPHLZBUUBSIN-AWEZNQCLSA-N 0 3 302.443 3.217 20 30 DGEDHN CC(C)C(=O)NC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187665914 200141534 /nfs/dbraw/zinc/14/15/34/200141534.db2.gz NVVQPWMQWQOFJA-DOTOQJQBSA-N 0 3 313.445 3.103 20 30 DGEDHN CCCCNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188364645 200233864 /nfs/dbraw/zinc/23/38/64/200233864.db2.gz GGVROGSTUWQDHI-OAHLLOKOSA-N 0 3 313.445 3.248 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000424122161 237881352 /nfs/dbraw/zinc/88/13/52/237881352.db2.gz GOYVHLHYHVQEIJ-MAUKXSAKSA-N 0 3 324.428 3.243 20 30 DGEDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424147958 237882669 /nfs/dbraw/zinc/88/26/69/237882669.db2.gz ZEQRDOBBQYHJMI-DLBZAZTESA-N 0 3 301.434 3.220 20 30 DGEDHN N#CC(C(=O)c1ccc(F)cc1OC(F)F)c1ccccn1 ZINC000429350999 238048983 /nfs/dbraw/zinc/04/89/83/238048983.db2.gz DYMWGNHHXDJIGJ-NSHDSACASA-N 0 3 306.243 3.312 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(CCCc3ccsc3)C2)nc1 ZINC000428779328 238031273 /nfs/dbraw/zinc/03/12/73/238031273.db2.gz LBBMYGQDKVOPCA-INIZCTEOSA-N 0 3 313.426 3.101 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccc(F)cc1 ZINC000433114464 238147200 /nfs/dbraw/zinc/14/72/00/238147200.db2.gz NMHRTMTXFQJAFT-KRWDZBQOSA-N 0 3 310.372 3.257 20 30 DGEDHN COCc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433223028 238151375 /nfs/dbraw/zinc/15/13/75/238151375.db2.gz ZJPAFRZJTBUWJO-LJQANCHMSA-N 0 3 322.408 3.222 20 30 DGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)Oc1ccccc1 ZINC000433357010 238156995 /nfs/dbraw/zinc/15/69/95/238156995.db2.gz WDEQDDGIRBULOJ-AEFFLSMTSA-N 0 3 322.408 3.343 20 30 DGEDHN C[C@H](Cc1ccc(O)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378807 238157939 /nfs/dbraw/zinc/15/79/39/238157939.db2.gz WAKREHRNVBJZQL-CRAIPNDOSA-N 0 3 322.408 3.212 20 30 DGEDHN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(C#N)c1 ZINC000134978957 432092226 /nfs/dbraw/zinc/09/22/26/432092226.db2.gz JCZVZVJZAYBHJH-UHFFFAOYSA-N 0 3 324.380 3.318 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000194031261 201167951 /nfs/dbraw/zinc/16/79/51/201167951.db2.gz RQXPKPHOYHDHSQ-DJIMGWMZSA-N 0 3 300.377 3.135 20 30 DGEDHN Cc1sc(NC(=O)CN[C@@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000194311208 201200835 /nfs/dbraw/zinc/20/08/35/201200835.db2.gz AQJHTMOHOWLFIK-QMTHXVAHSA-N 0 3 305.447 3.343 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000442778727 239122095 /nfs/dbraw/zinc/12/20/95/239122095.db2.gz HTDIYIJLPJDCHM-QAPCUYQASA-N 0 3 320.396 3.116 20 30 DGEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000180770911 432099055 /nfs/dbraw/zinc/09/90/55/432099055.db2.gz SFWCXYWOKBNGEW-GOSISDBHSA-N 0 3 323.396 3.246 20 30 DGEDHN COc1ccc2c(c1)CCN(Cc1ccc(C#N)c(OC)c1)CC2 ZINC000443075036 239172570 /nfs/dbraw/zinc/17/25/70/239172570.db2.gz UOZCGOQGKCTDRC-UHFFFAOYSA-N 0 3 322.408 3.176 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cc2ccc(F)c(C#N)c2)C1 ZINC000281576335 216395868 /nfs/dbraw/zinc/39/58/68/216395868.db2.gz ZLLSOZDSQMLYTF-AZFSHXRASA-N 0 3 316.420 3.459 20 30 DGEDHN C[C@H]1Cc2ccccc2CN1CCC(=O)Nc1cccc(C#N)c1 ZINC000444223185 239271595 /nfs/dbraw/zinc/27/15/95/239271595.db2.gz HFLZCDCOQDUTMZ-HNNXBMFYSA-N 0 3 319.408 3.334 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@H](c1nccn1C)C1CC1)C(C)C ZINC000271850353 209265610 /nfs/dbraw/zinc/26/56/10/209265610.db2.gz VYWNHMQKVJKPDO-ROUUACIJSA-N 0 3 316.493 3.159 20 30 DGEDHN C=CCCCC[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000449272682 240102339 /nfs/dbraw/zinc/10/23/39/240102339.db2.gz ODPDVOMBRCWINB-LBPRGKRZSA-N 0 3 301.477 3.376 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(CCc2ccccc2)s1 ZINC000449521464 240263696 /nfs/dbraw/zinc/26/36/96/240263696.db2.gz RSCSYSUNHYVBKW-SJORKVTESA-N 0 3 314.454 3.361 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(F)F)c(Cl)c1 ZINC000449520358 240264419 /nfs/dbraw/zinc/26/44/19/240264419.db2.gz PANVANVJPICFDO-NEPJUHHUSA-N 0 3 303.736 3.375 20 30 DGEDHN CN(CCCOc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000171137274 432105743 /nfs/dbraw/zinc/10/57/43/432105743.db2.gz QYJFBZLZLXYWAH-UHFFFAOYSA-N 0 3 305.381 3.331 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449695013 240374162 /nfs/dbraw/zinc/37/41/62/240374162.db2.gz DEVIGXOYTYCCQP-CQSZACIVSA-N 0 3 316.357 3.272 20 30 DGEDHN Cc1cc(CN2CCC(OCCOC(C)C)CC2)ccc1C#N ZINC000449724042 240384707 /nfs/dbraw/zinc/38/47/07/240384707.db2.gz GJMHGJIWIJXBIB-UHFFFAOYSA-N 0 3 316.445 3.273 20 30 DGEDHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000135215677 432106423 /nfs/dbraw/zinc/10/64/23/432106423.db2.gz XRCYFHXGEGKCHD-IBGZPJMESA-N 0 3 324.424 3.340 20 30 DGEDHN C[C@H](c1ccncc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000091989659 193138854 /nfs/dbraw/zinc/13/88/54/193138854.db2.gz WQAWVFVOZDQJNK-GFCCVEGCSA-N 0 3 314.414 3.036 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCN(C2CC2)C1 ZINC000451096639 241002044 /nfs/dbraw/zinc/00/20/44/241002044.db2.gz XOTCHJWKXAXWCF-CYBMUJFWSA-N 0 3 303.837 3.128 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000268593618 432108977 /nfs/dbraw/zinc/10/89/77/432108977.db2.gz ICCFOWXTQGZSBR-UHFFFAOYSA-N 0 3 306.475 3.426 20 30 DGEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000451845425 241254266 /nfs/dbraw/zinc/25/42/66/241254266.db2.gz PVQZZIVOPYWPAF-ZDUSSCGKSA-N 0 3 323.387 3.076 20 30 DGEDHN C[C@H](NCC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000452077347 241311418 /nfs/dbraw/zinc/31/14/18/241311418.db2.gz ZXJIIPLSHHLARH-FRRDWIJNSA-N 0 3 305.447 3.363 20 30 DGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271795010 209222404 /nfs/dbraw/zinc/22/24/04/209222404.db2.gz IXZYJJABLBEDBH-CQSZACIVSA-N 0 3 322.383 3.047 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H]2CC[C@@H](C)O2)ccc1OC ZINC000453625898 241842994 /nfs/dbraw/zinc/84/29/94/241842994.db2.gz FMSPEPWQJICBCH-GDBMZVCRSA-N 0 3 305.418 3.307 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1cccc(CC#N)c1 ZINC000455926396 242313361 /nfs/dbraw/zinc/31/33/61/242313361.db2.gz YLCJKYKPMOMZKM-QGZVFWFLSA-N 0 3 314.433 3.139 20 30 DGEDHN C[C@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCCC[C@@H]1C ZINC000455924167 242313760 /nfs/dbraw/zinc/31/37/60/242313760.db2.gz VBCXSNQDLILKKJ-LSDHHAIUSA-N 0 3 314.433 3.137 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000455982053 242322222 /nfs/dbraw/zinc/32/22/22/242322222.db2.gz HKFKGHZVHAJWPP-HUUCEWRRSA-N 0 3 314.433 3.251 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000456002510 242325645 /nfs/dbraw/zinc/32/56/45/242325645.db2.gz MTFWWGKFGYTULG-SFHVURJKSA-N 0 3 322.412 3.291 20 30 DGEDHN N#Cc1ccc([C@H](O)CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000268643257 432114894 /nfs/dbraw/zinc/11/48/94/432114894.db2.gz SZWMJOGGWJHDGQ-LJQANCHMSA-N 0 3 310.372 3.395 20 30 DGEDHN COc1cccc(C2(NCCOc3cccc(C#N)c3)CC2)c1 ZINC000271754115 209184475 /nfs/dbraw/zinc/18/44/75/209184475.db2.gz ZQDNXHCKZKQCMR-UHFFFAOYSA-N 0 3 308.381 3.225 20 30 DGEDHN N#Cc1cccc(C2(NCCOc3ccccc3C#N)CC2)c1 ZINC000271748719 209180723 /nfs/dbraw/zinc/18/07/23/209180723.db2.gz FHNIFEDJZQMPOB-UHFFFAOYSA-N 0 3 303.365 3.088 20 30 DGEDHN C=C(CC)CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459084536 243246463 /nfs/dbraw/zinc/24/64/63/243246463.db2.gz ULLLSKNLEVAYNO-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000268671917 432117579 /nfs/dbraw/zinc/11/75/79/432117579.db2.gz KKNVLZHSQIIICH-APWZRJJASA-N 0 3 310.372 3.220 20 30 DGEDHN C=C(C)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458996845 243222804 /nfs/dbraw/zinc/22/28/04/243222804.db2.gz IIJUZKQRIAPNJP-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@]2(C)CCCC[C@H]2C)c(C#N)c1C ZINC000459604639 243428836 /nfs/dbraw/zinc/42/88/36/243428836.db2.gz BXZRITNYCZWCRF-PIGZYNQJSA-N 0 3 303.406 3.265 20 30 DGEDHN C=CC[C@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000275121996 212133510 /nfs/dbraw/zinc/13/35/10/212133510.db2.gz IAFXUUNFGDXUGQ-AEFFLSMTSA-N 0 3 300.446 3.147 20 30 DGEDHN CC(C)C[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000468825235 244066988 /nfs/dbraw/zinc/06/69/88/244066988.db2.gz CZWDYKQKEYNHKE-SOLBZPMBSA-N 0 3 307.482 3.187 20 30 DGEDHN C=CCOCCCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000470780963 244188035 /nfs/dbraw/zinc/18/80/35/244188035.db2.gz VXEDJDUVTICEJE-UHFFFAOYSA-N 0 3 308.510 3.412 20 30 DGEDHN C=CCCCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471005080 244202688 /nfs/dbraw/zinc/20/26/88/244202688.db2.gz JLCIQRCDTUFSPA-QGZVFWFLSA-N 0 3 303.837 3.488 20 30 DGEDHN C=CCN(CC=C)[C@@H](C[NH2+]Cc1cc([O-])cc(F)c1)C(C)C ZINC000472053050 244277009 /nfs/dbraw/zinc/27/70/09/244277009.db2.gz NTLNOMDEQCNFMG-SFHVURJKSA-N 0 3 306.425 3.320 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000472231157 244291915 /nfs/dbraw/zinc/29/19/15/244291915.db2.gz RBLKCWAWZAJWOA-BQFCYCMXSA-N 0 3 300.446 3.193 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000474325580 244388620 /nfs/dbraw/zinc/38/86/20/244388620.db2.gz FZBODCFVKPHGOR-INIZCTEOSA-N 0 3 321.509 3.495 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000488383667 245181348 /nfs/dbraw/zinc/18/13/48/245181348.db2.gz HYJTWXGJQKUPIO-INIZCTEOSA-N 0 3 317.433 3.199 20 30 DGEDHN COc1ccc(CN(C)CCOc2ccc(C#N)cc2)cc1C ZINC000489008583 245263628 /nfs/dbraw/zinc/26/36/28/245263628.db2.gz XPLQCSZEPJLOHF-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000266160850 205148700 /nfs/dbraw/zinc/14/87/00/205148700.db2.gz SVIUTXJACDMUGK-CYBMUJFWSA-N 0 3 306.837 3.210 20 30 DGEDHN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000246410926 432128965 /nfs/dbraw/zinc/12/89/65/432128965.db2.gz QLQCKQGAOXFDMW-RDTXWAMCSA-N 0 3 323.444 3.240 20 30 DGEDHN CN(CCC(=O)Nc1sccc1C#N)Cc1ccsc1 ZINC000023330086 182357392 /nfs/dbraw/zinc/35/73/92/182357392.db2.gz YDVWPIFJMWGFBO-UHFFFAOYSA-N 0 3 305.428 3.142 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000495173532 246242593 /nfs/dbraw/zinc/24/25/93/246242593.db2.gz KHZWDVORFOCFAV-ROUUACIJSA-N 0 3 315.461 3.348 20 30 DGEDHN CN(Cc1cccc(C#N)c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495352956 246260702 /nfs/dbraw/zinc/26/07/02/246260702.db2.gz PZLWDJZPEIQYQJ-UHFFFAOYSA-N 0 3 317.433 3.293 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000495402217 246266045 /nfs/dbraw/zinc/26/60/45/246266045.db2.gz PUFAEZPAIZUGKC-SJORKVTESA-N 0 3 303.450 3.252 20 30 DGEDHN C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000495668611 246293879 /nfs/dbraw/zinc/29/38/79/246293879.db2.gz GPEDQSLKGPRUDB-NSHDSACASA-N 0 3 309.435 3.013 20 30 DGEDHN C[C@H](CNC1(c2cccc(C#N)c2)CC1)NC(=O)OC(C)(C)C ZINC000495670231 246294241 /nfs/dbraw/zinc/29/42/41/246294241.db2.gz KBWGXNMCFCTVHR-CYBMUJFWSA-N 0 3 315.417 3.050 20 30 DGEDHN CC(C)C[C@@H](CNCC1(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000496242763 246371321 /nfs/dbraw/zinc/37/13/21/246371321.db2.gz GZEKKQZLBPTORQ-AWEZNQCLSA-N 0 3 309.454 3.209 20 30 DGEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000496178201 246362733 /nfs/dbraw/zinc/36/27/33/246362733.db2.gz KUHGIKDDZWNKMG-MRXNPFEDSA-N 0 3 309.454 3.209 20 30 DGEDHN N#Cc1ccc(CNCc2ccccc2Cn2cccn2)cc1 ZINC000045089722 183481138 /nfs/dbraw/zinc/48/11/38/183481138.db2.gz JJSPVALEBSDTPC-UHFFFAOYSA-N 0 3 302.381 3.093 20 30 DGEDHN C[C@@H](NCCC(=O)N1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000284823995 218192847 /nfs/dbraw/zinc/19/28/47/218192847.db2.gz ATBKXEJVLCZOGK-OAHLLOKOSA-N 0 3 319.408 3.188 20 30 DGEDHN C[C@H](NCCC(=O)N1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000284823989 218193914 /nfs/dbraw/zinc/19/39/14/218193914.db2.gz ATBKXEJVLCZOGK-HNNXBMFYSA-N 0 3 319.408 3.188 20 30 DGEDHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000271910762 209316394 /nfs/dbraw/zinc/31/63/94/209316394.db2.gz ARHQRNDFUCVLDQ-IUODEOHRSA-N 0 3 304.365 3.034 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000112190335 194439187 /nfs/dbraw/zinc/43/91/87/194439187.db2.gz UQDASVQUZPOYHM-LJQANCHMSA-N 0 3 312.457 3.154 20 30 DGEDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063482878 184283237 /nfs/dbraw/zinc/28/32/37/184283237.db2.gz XYSOVVGOMAZWHX-SFHVURJKSA-N 0 3 322.412 3.062 20 30 DGEDHN C[C@@H](O)C[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000269797973 207863275 /nfs/dbraw/zinc/86/32/75/207863275.db2.gz LMFSRQSFBRFVBS-CZUORRHYSA-N 0 3 311.347 3.292 20 30 DGEDHN C=C(C)[C@@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)OCC ZINC000270043950 208099596 /nfs/dbraw/zinc/09/95/96/208099596.db2.gz PCUBXVNTKPGKTF-MRXNPFEDSA-N 0 3 315.417 3.322 20 30 DGEDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)ccc1C#N ZINC000337274957 253076319 /nfs/dbraw/zinc/07/63/19/253076319.db2.gz DMSQGTFMXRILAA-ZIAGYGMSSA-N 0 3 310.344 3.207 20 30 DGEDHN COc1ccc(C#N)cc1CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337399478 253107287 /nfs/dbraw/zinc/10/72/87/253107287.db2.gz JWAYCWDCIGRJFH-ZFWWWQNUSA-N 0 3 310.344 3.207 20 30 DGEDHN C=CCCOCCNCc1ccc(OC)c(OCC(=C)C)c1 ZINC000270220653 208284394 /nfs/dbraw/zinc/28/43/94/208284394.db2.gz PJYYJBDYUSBWGS-UHFFFAOYSA-N 0 3 305.418 3.332 20 30 DGEDHN C[C@@H](NCc1ccccc1Cn1cncn1)c1ccc(C#N)cc1 ZINC000337810531 253178156 /nfs/dbraw/zinc/17/81/56/253178156.db2.gz KUGUIIZOPUBBOU-OAHLLOKOSA-N 0 3 317.396 3.049 20 30 DGEDHN C=CCC[C@H](NC(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000159090098 197326458 /nfs/dbraw/zinc/32/64/58/197326458.db2.gz GSQIXAZBUWRXKG-SFHVURJKSA-N 0 3 315.461 3.477 20 30 DGEDHN C=CCOc1cccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272897395 210286017 /nfs/dbraw/zinc/28/60/17/210286017.db2.gz IJSWJUVGLHEGSU-AWEZNQCLSA-N 0 3 315.417 3.023 20 30 DGEDHN C=CCN(C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000157623042 197202558 /nfs/dbraw/zinc/20/25/58/197202558.db2.gz VJXQLRDZPZGOMI-UHFFFAOYSA-N 0 3 317.433 3.201 20 30 DGEDHN CC(C)(C#N)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000157523156 197194368 /nfs/dbraw/zinc/19/43/68/197194368.db2.gz CCVDMTDWXPGEHY-UHFFFAOYSA-N 0 3 310.445 3.006 20 30 DGEDHN C[C@@H](COc1cccc(F)c1)NCc1ccc(C#N)cc1F ZINC000343634634 254171277 /nfs/dbraw/zinc/17/12/77/254171277.db2.gz GKCFPSUBACRWAB-LBPRGKRZSA-N 0 3 302.324 3.394 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OCC(C)C ZINC000345845953 533128099 /nfs/dbraw/zinc/12/80/99/533128099.db2.gz NNTICNNOVALFNG-OLZOCXBDSA-N 0 3 304.390 3.067 20 30 DGEDHN N#Cc1ccc(CNCCCc2nc3ccccc3[nH]2)c(F)c1 ZINC000343880006 254199095 /nfs/dbraw/zinc/19/90/95/254199095.db2.gz AGAUCLUHYRINGV-UHFFFAOYSA-N 0 3 308.360 3.296 20 30 DGEDHN CO[C@H](CN(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000344107247 254226097 /nfs/dbraw/zinc/22/60/97/254226097.db2.gz JDOQBULOQDXLRL-HXUWFJFHSA-N 0 3 324.424 3.394 20 30 DGEDHN N#Cc1ccc(CNCCc2ccn(-c3ccccc3)n2)s1 ZINC000343980604 254209087 /nfs/dbraw/zinc/20/90/87/254209087.db2.gz HIBKOMFICOPTAB-UHFFFAOYSA-N 0 3 308.410 3.138 20 30 DGEDHN N#Cc1ccc(CNCCc2ccn(-c3ccccc3)n2)c(F)c1 ZINC000343982717 254209457 /nfs/dbraw/zinc/20/94/57/254209457.db2.gz KXMOHPYFQCGQHO-UHFFFAOYSA-N 0 3 320.371 3.215 20 30 DGEDHN CC#CCCN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000156504373 197118946 /nfs/dbraw/zinc/11/89/46/197118946.db2.gz QAODKERIBBWOMK-UHFFFAOYSA-N 0 3 318.486 3.478 20 30 DGEDHN COc1cc2c(c(CNCC(C)(C)CCC#N)c1)O[C@@H](C)C2 ZINC000342270322 533148916 /nfs/dbraw/zinc/14/89/16/533148916.db2.gz AUAXOTZKTUDMFM-ZDUSSCGKSA-N 0 3 302.418 3.438 20 30 DGEDHN COc1ccc(-c2ccc(CNC(=O)C(C)C#N)s2)cc1 ZINC000352323988 533180910 /nfs/dbraw/zinc/18/09/10/533180910.db2.gz NJTFXCHUPASWLK-LLVKDONJSA-N 0 3 300.383 3.200 20 30 DGEDHN C=CCCOCCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271585156 209033601 /nfs/dbraw/zinc/03/36/01/209033601.db2.gz XJZSQGBNLAURCN-ZDUSSCGKSA-N 0 3 308.378 3.237 20 30 DGEDHN C[C@@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(C#N)cc1 ZINC000271614776 209061959 /nfs/dbraw/zinc/06/19/59/209061959.db2.gz BSNHBKDRKOANSR-RDTXWAMCSA-N 0 3 321.380 3.234 20 30 DGEDHN O[C@@H]1CCC[C@H]1[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000451429444 285320942 /nfs/dbraw/zinc/32/09/42/285320942.db2.gz XIFJTISJNVEKGR-OKZBNKHCSA-N 0 3 303.833 3.317 20 30 DGEDHN CSC1(CN2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000289917023 221315844 /nfs/dbraw/zinc/31/58/44/221315844.db2.gz XKZJBWYDDAEDLS-UHFFFAOYSA-N 0 3 320.433 3.436 20 30 DGEDHN C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000413454152 533303672 /nfs/dbraw/zinc/30/36/72/533303672.db2.gz MSFRBFBGBLFMCN-RSUWNVLCSA-N 0 3 319.836 3.282 20 30 DGEDHN CO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000443071669 533417787 /nfs/dbraw/zinc/41/77/87/533417787.db2.gz ODPUXDAEDHWKMC-NVXWUHKLSA-N 0 3 302.418 3.368 20 30 DGEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCCCO1 ZINC000346676068 533457274 /nfs/dbraw/zinc/45/72/74/533457274.db2.gz PIFOBPHPCLBXAS-QAPCUYQASA-N 0 3 302.418 3.416 20 30 DGEDHN COc1cccc(COCCNCc2ccc(C#N)c(C)c2)c1 ZINC000444000700 533522829 /nfs/dbraw/zinc/52/28/29/533522829.db2.gz XJPVMNRIMFRHDL-UHFFFAOYSA-N 0 3 310.397 3.182 20 30 DGEDHN COc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433102841 533502944 /nfs/dbraw/zinc/50/29/44/533502944.db2.gz HRAMKUMEDHCJLA-QGZVFWFLSA-N 0 3 308.381 3.084 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2nccc3ccccc32)cc(C)n1 ZINC000337531233 533560791 /nfs/dbraw/zinc/56/07/91/533560791.db2.gz VFGFTZBWQSREQX-MRXNPFEDSA-N 0 3 317.348 3.437 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCc2c(O)cccc2C1 ZINC000600524727 400087069 /nfs/dbraw/zinc/08/70/69/400087069.db2.gz AQUNVLVKSKZDNZ-MRXNPFEDSA-N 0 3 320.392 3.049 20 30 DGEDHN COC[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000595055774 400091683 /nfs/dbraw/zinc/09/16/83/400091683.db2.gz JCLSYMZXPKLHSV-SFHVURJKSA-N 0 3 316.351 3.356 20 30 DGEDHN C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)(C)C1 ZINC000584760409 400099247 /nfs/dbraw/zinc/09/92/47/400099247.db2.gz ORXBWTIBGCKFSY-YOEHRIQHSA-N 0 3 311.429 3.174 20 30 DGEDHN C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nccn1C ZINC000595107619 400107445 /nfs/dbraw/zinc/10/74/45/400107445.db2.gz OSUZLOPQCKPGBZ-LSJNQWAISA-N 0 3 308.429 3.475 20 30 DGEDHN CN(C(=O)[C@@H](N)CCCCC#N)C1CC(C)(C)CC(C)(C)C1 ZINC000595255525 400114862 /nfs/dbraw/zinc/11/48/62/400114862.db2.gz YNTMWASRZDMSRL-HNNXBMFYSA-N 0 3 307.482 3.461 20 30 DGEDHN CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000008003877 400115670 /nfs/dbraw/zinc/11/56/70/400115670.db2.gz IZAYFOCVFKYHCD-ZWKOTPCHSA-N 0 3 319.424 3.167 20 30 DGEDHN CCN1C[C@H](CN(C)Cc2ccc(C#N)cc2)Oc2ccccc21 ZINC000016423445 400172196 /nfs/dbraw/zinc/17/21/96/400172196.db2.gz VGCFUXYSQWJFOD-SFHVURJKSA-N 0 3 321.424 3.278 20 30 DGEDHN CN(CCc1ccc(C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000595509716 400172162 /nfs/dbraw/zinc/17/21/62/400172162.db2.gz HXRWVOTWRFIKMN-SFHVURJKSA-N 0 3 314.816 3.420 20 30 DGEDHN C[C@H](N(C)Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)O ZINC000595510076 400173677 /nfs/dbraw/zinc/17/36/77/400173677.db2.gz JWNKAUYJGMRPDI-JTQLQIEISA-N 0 3 300.324 3.168 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CCCCC2)C1 ZINC000609541339 400174526 /nfs/dbraw/zinc/17/45/26/400174526.db2.gz HXMVUTBRWUOQJJ-FUHWJXTLSA-N 0 3 319.493 3.476 20 30 DGEDHN CC[C@@](C)(C(=O)OC)N(CCc1ccc(C#N)cc1)CC1CC1 ZINC000595550016 400184640 /nfs/dbraw/zinc/18/46/40/400184640.db2.gz NXMVZOYQYZUOHQ-IBGZPJMESA-N 0 3 314.429 3.154 20 30 DGEDHN C=CCN(CCCC(=O)NCC(C)C)Cc1cccc(C#N)c1 ZINC000595296763 400122281 /nfs/dbraw/zinc/12/22/81/400122281.db2.gz JJQORMLLAMXOSP-UHFFFAOYSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000600679933 400128476 /nfs/dbraw/zinc/12/84/76/400128476.db2.gz IVPCNYGYDHSBNW-HOTGVXAUSA-N 0 3 300.446 3.459 20 30 DGEDHN CC(C)[C@@H](NCCc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000595419888 400144519 /nfs/dbraw/zinc/14/45/19/400144519.db2.gz AMPOBQSPYKLDKD-GOSISDBHSA-N 0 3 319.412 3.130 20 30 DGEDHN C[C@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCCC[C@@H]1C ZINC000595447862 400153652 /nfs/dbraw/zinc/15/36/52/400153652.db2.gz GEXOQOVWDSVVNC-JKSUJKDBSA-N 0 3 320.481 3.023 20 30 DGEDHN CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2)[C@@H]1C ZINC000595559288 400187583 /nfs/dbraw/zinc/18/75/83/400187583.db2.gz MXTNXQUYOASJAC-JJRVBVJISA-N 0 3 300.402 3.110 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000319745588 400161473 /nfs/dbraw/zinc/16/14/73/400161473.db2.gz YHOORXYCSHCGJU-VXGBXAGGSA-N 0 3 306.369 3.140 20 30 DGEDHN N#Cc1nc(N[C@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000067346842 400161923 /nfs/dbraw/zinc/16/19/23/400161923.db2.gz IPTXXHHXFRALOB-AWEZNQCLSA-N 0 3 312.804 3.293 20 30 DGEDHN CC(C)[C@H](NCCC1(C#N)CCCCC1)[C@H](O)C(F)(F)F ZINC000595482586 400165125 /nfs/dbraw/zinc/16/51/25/400165125.db2.gz QINKRZGXWAFGFA-STQMWFEESA-N 0 3 306.372 3.388 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCCN(c3cccc(F)c3F)CC2)C1 ZINC000595504098 400171070 /nfs/dbraw/zinc/17/10/70/400171070.db2.gz FCLMHXMHCNKHPD-KGLIPLIRSA-N 0 3 305.372 3.169 20 30 DGEDHN Cc1cccc2c1ncc(C#N)c2N1CC[C@H](N2CCCCC2)C1 ZINC000610277783 400231816 /nfs/dbraw/zinc/23/18/16/400231816.db2.gz OQSPHQSNZRLBTH-KRWDZBQOSA-N 0 3 320.440 3.480 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ccc(C#N)nc1 ZINC000092696304 400196628 /nfs/dbraw/zinc/19/66/28/400196628.db2.gz KNJFMRLWUHWMIA-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1cccc(C#N)n1 ZINC000092696147 400196800 /nfs/dbraw/zinc/19/68/00/400196800.db2.gz GSVCPAIFROZCPD-UHFFFAOYSA-N 0 3 321.428 3.091 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1c(C)cccc1C ZINC000595603566 400200002 /nfs/dbraw/zinc/20/00/02/400200002.db2.gz YUCDMAHUCVAYLU-KRWDZBQOSA-N 0 3 313.445 3.203 20 30 DGEDHN CC(C#N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000609920148 400201536 /nfs/dbraw/zinc/20/15/36/400201536.db2.gz NOOJTQMHXQOJDK-RBXMUDONSA-N 0 3 316.245 3.172 20 30 DGEDHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595608996 400202508 /nfs/dbraw/zinc/20/25/08/400202508.db2.gz DMEZVKHIMZZYSQ-SJORKVTESA-N 0 3 316.445 3.175 20 30 DGEDHN N#CC[C@@H]1CCCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000595611983 400204701 /nfs/dbraw/zinc/20/47/01/400204701.db2.gz QXRXVQQYKZDWTK-HNNXBMFYSA-N 0 3 310.401 3.295 20 30 DGEDHN N#CCCCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000588264472 400205310 /nfs/dbraw/zinc/20/53/10/400205310.db2.gz ATPTWZLKPIWOPD-UHFFFAOYSA-N 0 3 313.445 3.195 20 30 DGEDHN COc1ccccc1OCCCNCc1cc(C#N)cs1 ZINC000610488671 400263019 /nfs/dbraw/zinc/26/30/19/400263019.db2.gz CCOHRPDRDWHQHO-UHFFFAOYSA-N 0 3 302.399 3.187 20 30 DGEDHN CC[C@@H](NCCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595798931 400263393 /nfs/dbraw/zinc/26/33/93/400263393.db2.gz AHOLLDVIMHMVIF-CQSZACIVSA-N 0 3 303.454 3.375 20 30 DGEDHN CN1CCN(C(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000601227143 400268620 /nfs/dbraw/zinc/26/86/20/400268620.db2.gz MQMPOKKEWYSDEF-UHFFFAOYSA-N 0 3 312.417 3.040 20 30 DGEDHN COC(=O)c1cccc(CN[C@@H](C)C2CCC(F)CC2)c1C#N ZINC000595820758 400269837 /nfs/dbraw/zinc/26/98/37/400269837.db2.gz VVAMGBHGHGJDDH-OPFPJEHXSA-N 0 3 318.392 3.351 20 30 DGEDHN N#CCSCCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595829541 400272864 /nfs/dbraw/zinc/27/28/64/400272864.db2.gz QZHIEQNHRUZDJZ-LBPRGKRZSA-N 0 3 319.257 3.263 20 30 DGEDHN N#CC[C@H]1CCCN(CCOc2cccc(Br)c2)C1 ZINC000397810916 400287421 /nfs/dbraw/zinc/28/74/21/400287421.db2.gz IHXDCNCKTBAFQH-CYBMUJFWSA-N 0 3 323.234 3.454 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H]1OCCc3ccccc31)CC2 ZINC000589342376 400291463 /nfs/dbraw/zinc/29/14/63/400291463.db2.gz MVPVHFAJZYBOSW-UXHICEINSA-N 0 3 304.393 3.449 20 30 DGEDHN CCC(CC)(CNC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000595984223 400298309 /nfs/dbraw/zinc/29/83/09/400298309.db2.gz BCNLOJOLSSNXEO-MRXNPFEDSA-N 0 3 319.424 3.021 20 30 DGEDHN C[C@@]1(NCc2ccc(C#N)cc2F)CCN(Cc2ccccc2)C1 ZINC000405986805 400300294 /nfs/dbraw/zinc/30/02/94/400300294.db2.gz KSNREWZVEBQHTK-HXUWFJFHSA-N 0 3 323.415 3.452 20 30 DGEDHN CCCN(CCN1CCCCC1)C(=O)c1ccccc1CC#N ZINC000601576280 400311354 /nfs/dbraw/zinc/31/13/54/400311354.db2.gz UURHKJSIFMXSGY-UHFFFAOYSA-N 0 3 313.445 3.091 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000595781600 400258051 /nfs/dbraw/zinc/25/80/51/400258051.db2.gz DBNOXRKHRKWOHN-GOSISDBHSA-N 0 3 314.429 3.348 20 30 DGEDHN COc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1C#N ZINC000595785350 400259518 /nfs/dbraw/zinc/25/95/18/400259518.db2.gz DSWBMZFLDOGWGJ-VQIMIIECSA-N 0 3 314.429 3.348 20 30 DGEDHN Cc1ccc(C#N)nc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000589104753 400260130 /nfs/dbraw/zinc/26/01/30/400260130.db2.gz AXUSZGANNXFPAA-SFHVURJKSA-N 0 3 306.413 3.338 20 30 DGEDHN N#Cc1cccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1F ZINC000595789025 400261243 /nfs/dbraw/zinc/26/12/43/400261243.db2.gz PBJBINNWYYXGJC-WBVHZDCISA-N 0 3 302.393 3.478 20 30 DGEDHN N#Cc1ccccc1OCCN1CCC([C@H]2CCCCO2)CC1 ZINC000595789012 400261293 /nfs/dbraw/zinc/26/12/93/400261293.db2.gz OZRYGFJFIHFFSP-GOSISDBHSA-N 0 3 314.429 3.218 20 30 DGEDHN CC(C)(CNc1ncccc1C#N)N1CCc2ccccc2C1 ZINC000026725659 400261744 /nfs/dbraw/zinc/26/17/44/400261744.db2.gz OZHRLJPRZAPQKU-UHFFFAOYSA-N 0 3 306.413 3.202 20 30 DGEDHN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(CCC#N)CC1 ZINC000579588094 400340927 /nfs/dbraw/zinc/34/09/27/400340927.db2.gz WPDUSHVKVDZLIG-BZUAXINKSA-N 0 3 305.466 3.180 20 30 DGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCCC[C@@H]1O ZINC000579599617 400341042 /nfs/dbraw/zinc/34/10/42/400341042.db2.gz USILRTCVYXWNFG-MSOLQXFVSA-N 0 3 305.466 3.393 20 30 DGEDHN C[C@@H](COCC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392340 400392258 /nfs/dbraw/zinc/39/22/58/400392258.db2.gz MPCSOEPTVDEAMZ-XHDPSFHLSA-N 0 3 312.335 3.493 20 30 DGEDHN C=CCC1(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CCCC1 ZINC000580997706 400349011 /nfs/dbraw/zinc/34/90/11/400349011.db2.gz SUCQLNHXQZNXJW-MRXNPFEDSA-N 0 3 305.466 3.003 20 30 DGEDHN Cc1cccc(CN2CC[C@H](NC(=O)CCCCCC#N)C2)c1 ZINC000601852166 400364755 /nfs/dbraw/zinc/36/47/55/400364755.db2.gz XTXXFMFXLXRWOS-SFHVURJKSA-N 0 3 313.445 3.160 20 30 DGEDHN Cc1ccc(C#N)nc1NC1CCN(Cc2ccccc2)CC1 ZINC000611398662 400393522 /nfs/dbraw/zinc/39/35/22/400393522.db2.gz BEHDHQZLUANMHX-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN CCC[C@@H](C)C(=O)NCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590256465 400372385 /nfs/dbraw/zinc/37/23/85/400372385.db2.gz QXCGLIBVYDDCIB-RDTXWAMCSA-N 0 3 313.445 3.078 20 30 DGEDHN CCC[C@H](O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000112377780 400372517 /nfs/dbraw/zinc/37/25/17/400372517.db2.gz CTUKLJCSTNLYQJ-IBGZPJMESA-N 0 3 324.424 3.388 20 30 DGEDHN C=CC[C@H](C)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000117050425 400414580 /nfs/dbraw/zinc/41/45/80/400414580.db2.gz HKLJVSQFEOFHCM-GJZGRUSLSA-N 0 3 303.450 3.380 20 30 DGEDHN C[C@@H](c1ccccc1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000072702356 400399670 /nfs/dbraw/zinc/39/96/70/400399670.db2.gz LOOVBYFQBNLROM-LPHOPBHVSA-N 0 3 324.424 3.185 20 30 DGEDHN C[C@H](NCCC(=O)N(C)c1ccccc1)c1cccc(C#N)c1 ZINC000611438202 400400656 /nfs/dbraw/zinc/40/06/56/400400656.db2.gz GVHNEQFFVZHKJX-HNNXBMFYSA-N 0 3 307.397 3.262 20 30 DGEDHN CC(C)(C#N)CCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000611462574 400404779 /nfs/dbraw/zinc/40/47/79/400404779.db2.gz OXECCCTXGOIGNQ-OAHLLOKOSA-N 0 3 314.351 3.442 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(C)C ZINC000072850675 400409548 /nfs/dbraw/zinc/40/95/48/400409548.db2.gz MSXHWIFGIDOKTO-UHFFFAOYSA-N 0 3 308.495 3.241 20 30 DGEDHN Cc1cccc([C@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000590765494 400430941 /nfs/dbraw/zinc/43/09/41/400430941.db2.gz ORNVSCRMXRQBPB-LPHOPBHVSA-N 0 3 324.424 3.152 20 30 DGEDHN Cc1nccn1-c1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611669191 400435251 /nfs/dbraw/zinc/43/52/51/400435251.db2.gz GUKOUNJTIDACFL-CQSZACIVSA-N 0 3 317.396 3.298 20 30 DGEDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1ccnc(C#N)c1 ZINC000590756663 400428310 /nfs/dbraw/zinc/42/83/10/400428310.db2.gz OWLYRVGXQJLQRA-RBUKOAKNSA-N 0 3 321.424 3.427 20 30 DGEDHN CN(C)CCN(Cc1ccsc1)C(=O)CCCCCC#N ZINC000590920360 400460734 /nfs/dbraw/zinc/46/07/34/400460734.db2.gz IPVJEPNHPYXTPV-UHFFFAOYSA-N 0 3 307.463 3.112 20 30 DGEDHN C[C@H](C1CC1)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000121775938 400457285 /nfs/dbraw/zinc/45/72/85/400457285.db2.gz RSUTTWHTLZXQCQ-CYBMUJFWSA-N 0 3 319.836 3.317 20 30 DGEDHN C[C@H](CNCc1cccc(C#N)n1)Oc1cccc(Cl)c1 ZINC000602569360 400499384 /nfs/dbraw/zinc/49/93/84/400499384.db2.gz QUYOODMUOBDZNC-GFCCVEGCSA-N 0 3 301.777 3.164 20 30 DGEDHN C[C@@H](CCC#N)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000602570903 400500706 /nfs/dbraw/zinc/50/07/06/400500706.db2.gz YBLIYYBYHOXURS-JTQLQIEISA-N 0 3 312.316 3.046 20 30 DGEDHN C[C@H](NC(=O)Nc1cccc2c1CCNC2)c1cccc(C#N)c1 ZINC000591310409 400508235 /nfs/dbraw/zinc/50/82/35/400508235.db2.gz NFQSITADZHNTOH-ZDUSSCGKSA-N 0 3 320.396 3.087 20 30 DGEDHN COc1cc2c(cc1OC)[C@@H](N1CCC(CC#N)CC1)CC2 ZINC000602595835 400508572 /nfs/dbraw/zinc/50/85/72/400508572.db2.gz DLUVWSANVGSJEC-INIZCTEOSA-N 0 3 300.402 3.317 20 30 DGEDHN CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(CC)C1 ZINC000596641472 400469028 /nfs/dbraw/zinc/46/90/28/400469028.db2.gz WDJQVLJJXBSBGM-AWEZNQCLSA-N 0 3 320.824 3.160 20 30 DGEDHN C[C@@H](CC#N)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000596657610 400474058 /nfs/dbraw/zinc/47/40/58/400474058.db2.gz MYMUQOMSPPYXEV-LSDHHAIUSA-N 0 3 319.474 3.187 20 30 DGEDHN Cc1cccc(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000617915869 400475569 /nfs/dbraw/zinc/47/55/69/400475569.db2.gz FZZOZQSGLROBJL-LJQANCHMSA-N 0 3 306.409 3.426 20 30 DGEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCC1(C#N)CCCCC1)CC2 ZINC000591014914 400475934 /nfs/dbraw/zinc/47/59/34/400475934.db2.gz JOQNXTSYZXWPMP-SJORKVTESA-N 0 3 320.477 3.102 20 30 DGEDHN CCO[C@@H]1C[C@H](O)C12CCN(CCC1(C#N)CCCCC1)CC2 ZINC000591014911 400475988 /nfs/dbraw/zinc/47/59/88/400475988.db2.gz JOQNXTSYZXWPMP-DLBZAZTESA-N 0 3 320.477 3.102 20 30 DGEDHN C[C@H](CCC#N)CNCc1cccnc1OCC(F)(F)F ZINC000602510528 400483693 /nfs/dbraw/zinc/48/36/93/400483693.db2.gz YIZOWPSBIXLRTK-LLVKDONJSA-N 0 3 301.312 3.052 20 30 DGEDHN CSCC[C@@H](NC[C@H](C)CCC#N)c1nnc2ccccn21 ZINC000602510242 400483737 /nfs/dbraw/zinc/48/37/37/400483737.db2.gz FWJPFDAKIXPDTK-ZIAGYGMSSA-N 0 3 317.462 3.053 20 30 DGEDHN CSCC[C@H](NC[C@H](C)CCC#N)c1nnc2ccccn21 ZINC000602510240 400483763 /nfs/dbraw/zinc/48/37/63/400483763.db2.gz FWJPFDAKIXPDTK-KGLIPLIRSA-N 0 3 317.462 3.053 20 30 DGEDHN CCCOc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602516515 400485859 /nfs/dbraw/zinc/48/58/59/400485859.db2.gz MPCWFXNVBCFNSF-OAHLLOKOSA-N 0 3 317.433 3.059 20 30 DGEDHN CCOc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602524139 400487892 /nfs/dbraw/zinc/48/78/92/400487892.db2.gz BXXXBZOEWXVCQP-HNNXBMFYSA-N 0 3 302.418 3.274 20 30 DGEDHN Cc1cc(F)ccc1N1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602553146 400494659 /nfs/dbraw/zinc/49/46/59/400494659.db2.gz VTENYWQPKBGLQY-SFHVURJKSA-N 0 3 324.403 3.159 20 30 DGEDHN CC(=O)N1CCCCC[C@H]1C1CCN(CC2(CC#N)CC2)CC1 ZINC000602784230 400571558 /nfs/dbraw/zinc/57/15/58/400571558.db2.gz OCTJZQXLHWYGOO-SFHVURJKSA-N 0 3 317.477 3.183 20 30 DGEDHN Cc1ccccc1[C@H]([C@H](C)NCc1cccc(C#N)n1)N(C)C ZINC000602625142 400515252 /nfs/dbraw/zinc/51/52/52/400515252.db2.gz DPAGLMLGTVYUSK-KXBFYZLASA-N 0 3 308.429 3.043 20 30 DGEDHN C[C@@H](CCC#N)CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000602643332 400522803 /nfs/dbraw/zinc/52/28/03/400522803.db2.gz DYCCZRWPQILQMG-WCQYABFASA-N 0 3 316.323 3.148 20 30 DGEDHN COc1cccc(-c2noc([C@@H](C)NC[C@@H](C)CCC#N)n2)c1 ZINC000602647083 400523364 /nfs/dbraw/zinc/52/33/64/400523364.db2.gz SIRFBRPTVNCKAB-QWHCGFSZSA-N 0 3 314.389 3.336 20 30 DGEDHN COc1ccccc1-c1noc([C@@H](C)NC[C@H](C)CCC#N)n1 ZINC000602649646 400523852 /nfs/dbraw/zinc/52/38/52/400523852.db2.gz YJAHULNUTWUYEF-CHWSQXEVSA-N 0 3 314.389 3.336 20 30 DGEDHN C[C@@H]1CN(c2ccccc2CN2CCC[C@@H](CC#N)C2)CCO1 ZINC000597177617 400578380 /nfs/dbraw/zinc/57/83/80/400578380.db2.gz QKLYJNVJUMLYDY-SJORKVTESA-N 0 3 313.445 3.037 20 30 DGEDHN CN(Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1cccc(C#N)c1 ZINC000596980202 400532714 /nfs/dbraw/zinc/53/27/14/400532714.db2.gz VSVMWODNNKJQGI-HXUWFJFHSA-N 0 3 322.408 3.358 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000591599375 400543908 /nfs/dbraw/zinc/54/39/08/400543908.db2.gz YOODNRBKJCNQIO-QGZVFWFLSA-N 0 3 305.381 3.221 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000131101772 400546285 /nfs/dbraw/zinc/54/62/85/400546285.db2.gz GOLSOYWGZYMGDU-HNNXBMFYSA-N 0 3 315.465 3.124 20 30 DGEDHN Cc1cc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C#N ZINC000618193464 400547493 /nfs/dbraw/zinc/54/74/93/400547493.db2.gz FVDUUSJXIDDIDA-LBPRGKRZSA-N 0 3 306.369 3.299 20 30 DGEDHN COC(=O)c1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000597126643 400563296 /nfs/dbraw/zinc/56/32/96/400563296.db2.gz GNGBRAPXOVNFDU-UHFFFAOYSA-N 0 3 320.392 3.318 20 30 DGEDHN N#CC1(c2ccc(CN3CCOC[C@H](C4CCC4)C3)cc2)CC1 ZINC000597129460 400565193 /nfs/dbraw/zinc/56/51/93/400565193.db2.gz KGCSYCWPXQKFJC-GOSISDBHSA-N 0 3 310.441 3.490 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000602997678 400624157 /nfs/dbraw/zinc/62/41/57/400624157.db2.gz OUVXTSVFRDXIAG-PVAVHDDUSA-N 0 3 304.821 3.337 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1 ZINC000047740345 400629668 /nfs/dbraw/zinc/62/96/68/400629668.db2.gz CRENOAIKVLQOQC-UHFFFAOYSA-N 0 3 307.397 3.069 20 30 DGEDHN COc1cc(CN2CCC([C@H]3CCCCO3)CC2)ccc1C#N ZINC000597226997 400592816 /nfs/dbraw/zinc/59/28/16/400592816.db2.gz ZBOMZZLJFLFTQU-GOSISDBHSA-N 0 3 314.429 3.348 20 30 DGEDHN C[C@@H](O)C1(NCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000597235112 400595558 /nfs/dbraw/zinc/59/55/58/400595558.db2.gz UPBSJLPOUSEQCA-OAHLLOKOSA-N 0 3 322.408 3.140 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000592069477 400601126 /nfs/dbraw/zinc/60/11/26/400601126.db2.gz RKHUCVRYPLFIJR-PBHICJAKSA-N 0 3 316.445 3.102 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3ccc(F)cc3)CCC2)CC1 ZINC000592068628 400601701 /nfs/dbraw/zinc/60/17/01/400601701.db2.gz HACPXZDDWCECHG-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=CCN1CCC(NC(=O)c2oc3c(cccc3F)c2C)CC1 ZINC000592070257 400601888 /nfs/dbraw/zinc/60/18/88/400601888.db2.gz IFOLXKISGUGHOB-UHFFFAOYSA-N 0 3 316.376 3.261 20 30 DGEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597606242 400651490 /nfs/dbraw/zinc/65/14/90/400651490.db2.gz VMOZYXPGSJVSAF-KRWDZBQOSA-N 0 3 313.445 3.044 20 30 DGEDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000592501280 400659732 /nfs/dbraw/zinc/65/97/32/400659732.db2.gz RAKPSSHKTWZQCE-SFHVURJKSA-N 0 3 319.412 3.430 20 30 DGEDHN COCCOCc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000592517377 400661550 /nfs/dbraw/zinc/66/15/50/400661550.db2.gz JGECGKHYYWHGQV-UHFFFAOYSA-N 0 3 316.445 3.365 20 30 DGEDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513095 400661922 /nfs/dbraw/zinc/66/19/22/400661922.db2.gz VVMVDQFETIHXEA-KSSFIOAISA-N 0 3 317.396 3.184 20 30 DGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2cccs2)CCCCC1 ZINC000151844920 400675566 /nfs/dbraw/zinc/67/55/66/400675566.db2.gz FZIGDTQILBZDHT-CQSZACIVSA-N 0 3 306.475 3.230 20 30 DGEDHN N#C[C@@H]1CCC[C@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000613252249 400683489 /nfs/dbraw/zinc/68/34/89/400683489.db2.gz HVQOKFYKENAEQD-WBVHZDCISA-N 0 3 313.445 3.138 20 30 DGEDHN N#Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000592998034 400729624 /nfs/dbraw/zinc/72/96/24/400729624.db2.gz NTYFNAYRNPJLQW-CHWSQXEVSA-N 0 3 312.291 3.244 20 30 DGEDHN CC(=O)Nc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000618990465 400740574 /nfs/dbraw/zinc/74/05/74/400740574.db2.gz MKMGHQXKWPADEJ-GOSISDBHSA-N 0 3 320.396 3.079 20 30 DGEDHN CC(C)CCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000077211765 400695876 /nfs/dbraw/zinc/69/58/76/400695876.db2.gz TUJRFYNDAFRKQV-INIZCTEOSA-N 0 3 301.434 3.300 20 30 DGEDHN C[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccc(C#N)cc1 ZINC000603633303 400705664 /nfs/dbraw/zinc/70/56/64/400705664.db2.gz UGPYMWMLRFMODG-CQSZACIVSA-N 0 3 319.408 3.301 20 30 DGEDHN CC(C#N)C(=O)N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000592879436 400712336 /nfs/dbraw/zinc/71/23/36/400712336.db2.gz LVKAJMXWZCOZHA-KRTXAFLBSA-N 0 3 313.254 3.186 20 30 DGEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ccc1C#N ZINC000613427290 400717436 /nfs/dbraw/zinc/71/74/36/400717436.db2.gz ZCEOHCWYDYTIME-HIFRSBDPSA-N 0 3 300.450 3.027 20 30 DGEDHN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)C(C)C#N ZINC000598428154 400812044 /nfs/dbraw/zinc/81/20/44/400812044.db2.gz MKHVLWYFRBNRJC-MFKMUULPSA-N 0 3 309.207 3.046 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc3ccccc3cc2CO)CC1 ZINC000077965055 400756468 /nfs/dbraw/zinc/75/64/68/400756468.db2.gz LXSNGLOWDSHILB-UHFFFAOYSA-N 0 3 311.429 3.180 20 30 DGEDHN CN(CCN1CCCCC1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000593171376 400780306 /nfs/dbraw/zinc/78/03/06/400780306.db2.gz DZCBCJJIDQFSST-UHFFFAOYSA-N 0 3 320.824 3.161 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613734717 400782988 /nfs/dbraw/zinc/78/29/88/400782988.db2.gz TUWGTMPOXAOIDU-GDBMZVCRSA-N 0 3 311.429 3.038 20 30 DGEDHN C[C@H](c1ccncc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000604526620 400784035 /nfs/dbraw/zinc/78/40/35/400784035.db2.gz BTILLLPHWQJMSU-QGZVFWFLSA-N 0 3 320.440 3.222 20 30 DGEDHN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593254489 400803093 /nfs/dbraw/zinc/80/30/93/400803093.db2.gz ANZXOJILZPWSCO-YESZJQIVSA-N 0 3 309.413 3.181 20 30 DGEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cscc1C#N)c1ccco1 ZINC000598736054 400869889 /nfs/dbraw/zinc/86/98/89/400869889.db2.gz XIIWMUPSGLFYKU-RISCZKNCSA-N 0 3 317.414 3.072 20 30 DGEDHN CCc1ccc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000180097728 400881482 /nfs/dbraw/zinc/88/14/82/400881482.db2.gz GARQZWTYBXZECS-IBGZPJMESA-N 0 3 315.461 3.128 20 30 DGEDHN N#C[C@H]1CC[C@@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000619673130 400881833 /nfs/dbraw/zinc/88/18/33/400881833.db2.gz YBCQVQCQMSDLOX-SMDDNHRTSA-N 0 3 316.792 3.214 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000605760166 400885066 /nfs/dbraw/zinc/88/50/66/400885066.db2.gz YTYGPAXUPFRZSL-KRWDZBQOSA-N 0 3 318.436 3.115 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000598586521 400836992 /nfs/dbraw/zinc/83/69/92/400836992.db2.gz HQEHVVZQYFFPAX-HUUCEWRRSA-N 0 3 322.474 3.030 20 30 DGEDHN CCCOc1ccc2c(c1)CCN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598596568 400840333 /nfs/dbraw/zinc/84/03/33/400840333.db2.gz LLZVUFAWPYCQSB-QGZVFWFLSA-N 0 3 316.445 3.134 20 30 DGEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@@H](O)CC(C)(C)C#N ZINC000598598866 400841309 /nfs/dbraw/zinc/84/13/09/400841309.db2.gz FIOPWYNXHXJIJW-IOASZLSFSA-N 0 3 304.409 3.434 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000598619012 400844242 /nfs/dbraw/zinc/84/42/42/400844242.db2.gz UREKXGLPWHUQDK-HOCLYGCPSA-N 0 3 306.837 3.430 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000598619049 400844487 /nfs/dbraw/zinc/84/44/87/400844487.db2.gz UXHGQBYPJNMARJ-HOCLYGCPSA-N 0 3 322.836 3.094 20 30 DGEDHN CC(C)c1ccc2c(c1)CN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598624799 400845915 /nfs/dbraw/zinc/84/59/15/400845915.db2.gz HIBAUAACGDQVOX-SFHVURJKSA-N 0 3 300.446 3.469 20 30 DGEDHN COc1ccc(CN2CC(C(C)C)C2)cc1OCCCC#N ZINC000619431125 400847181 /nfs/dbraw/zinc/84/71/81/400847181.db2.gz IKUNOMNCEHNVNE-UHFFFAOYSA-N 0 3 302.418 3.466 20 30 DGEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000619436942 400848316 /nfs/dbraw/zinc/84/83/16/400848316.db2.gz ZGMSBSBYDMKSQW-KRWDZBQOSA-N 0 3 313.445 3.092 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)CC[C@@H]1CO ZINC000598646214 400849153 /nfs/dbraw/zinc/84/91/53/400849153.db2.gz CWJAAYOKUWXJMH-MRXNPFEDSA-N 0 3 300.446 3.471 20 30 DGEDHN CC[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000593479894 400860651 /nfs/dbraw/zinc/86/06/51/400860651.db2.gz KTFRDSKNJNEYPQ-JQHSSLGASA-N 0 3 313.445 3.048 20 30 DGEDHN CC[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000593479896 400860787 /nfs/dbraw/zinc/86/07/87/400860787.db2.gz KTFRDSKNJNEYPQ-NXHRZFHOSA-N 0 3 313.445 3.048 20 30 DGEDHN CC(C)C1(c2ccccc2)CN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598706762 400861635 /nfs/dbraw/zinc/86/16/35/400861635.db2.gz VFROEAUFKIPXPD-QGZVFWFLSA-N 0 3 300.446 3.197 20 30 DGEDHN CC(C)[C@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715918 400864104 /nfs/dbraw/zinc/86/41/04/400864104.db2.gz VCHBECHCAPUIRT-BBRMVZONSA-N 0 3 314.433 3.150 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(OC2CCCC2)cc1 ZINC000598719862 400865124 /nfs/dbraw/zinc/86/51/24/400865124.db2.gz KKAUFFJMGAPABW-INIZCTEOSA-N 0 3 316.445 3.398 20 30 DGEDHN CCOc1cc(Cl)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598722241 400865638 /nfs/dbraw/zinc/86/56/38/400865638.db2.gz BEOPINZHRIXTJM-AWEZNQCLSA-N 0 3 310.825 3.129 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000598723227 400865859 /nfs/dbraw/zinc/86/58/59/400865859.db2.gz FJQPEMWWTOVFAZ-UKRRQHHQSA-N 0 3 320.408 3.318 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000598722993 400865875 /nfs/dbraw/zinc/86/58/75/400865875.db2.gz CIPQWSDRAHUJFN-DZGCQCFKSA-N 0 3 322.836 3.444 20 30 DGEDHN Cc1cccc2c1C[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CO2 ZINC000599063851 400944703 /nfs/dbraw/zinc/94/47/03/400944703.db2.gz JRDGDWCZHLWRRU-VQIMIIECSA-N 0 3 304.393 3.447 20 30 DGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000181772965 400889929 /nfs/dbraw/zinc/88/99/29/400889929.db2.gz YSMQFWRGVYFNBW-INIZCTEOSA-N 0 3 300.446 3.143 20 30 DGEDHN NC(=O)C[C@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000182033926 400891200 /nfs/dbraw/zinc/89/12/00/400891200.db2.gz RHAZGCRPUHGJMJ-KRWDZBQOSA-N 0 3 318.848 3.105 20 30 DGEDHN COC(=O)CCN(Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000614397427 400892468 /nfs/dbraw/zinc/89/24/68/400892468.db2.gz TXALEIWZHICEEP-UHFFFAOYSA-N 0 3 322.408 3.432 20 30 DGEDHN Cc1cc(C#N)ccc1CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000614396020 400892595 /nfs/dbraw/zinc/89/25/95/400892595.db2.gz PAELNIUQWLXLBC-UHFFFAOYSA-N 0 3 319.408 3.130 20 30 DGEDHN C=C[C@H](Nc1cccc2c1CN([C@H](C)C(C)C)C2)C(=O)OC ZINC000619734817 400895571 /nfs/dbraw/zinc/89/55/71/400895571.db2.gz TUWWMKVGNNZHDO-CJNGLKHVSA-N 0 3 302.418 3.186 20 30 DGEDHN Cc1ccccc1[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000183208863 400899531 /nfs/dbraw/zinc/89/95/31/400899531.db2.gz NPYODAQLQLMZBC-RTBURBONSA-N 0 3 315.461 3.336 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000183210938 400900210 /nfs/dbraw/zinc/90/02/10/400900210.db2.gz FTGCKJDBCWJLIU-KXBFYZLASA-N 0 3 315.461 3.290 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000183806286 400901563 /nfs/dbraw/zinc/90/15/63/400901563.db2.gz PWRPBSUPROVYLT-JQHSSLGASA-N 0 3 319.493 3.247 20 30 DGEDHN CC(C)O[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000593788241 400911150 /nfs/dbraw/zinc/91/11/50/400911150.db2.gz ZCWHEGBXBPVEFA-QZTJIDSGSA-N 0 3 314.429 3.175 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000056168454 400913600 /nfs/dbraw/zinc/91/36/00/400913600.db2.gz GPRCQEUVAYKGOU-WBVHZDCISA-N 0 3 311.429 3.022 20 30 DGEDHN CC(C)(CCC#N)CNCc1ncc(Br)cc1F ZINC000598974506 400917662 /nfs/dbraw/zinc/91/76/62/400917662.db2.gz QEQCXPNIOZFPCT-UHFFFAOYSA-N 0 3 314.202 3.403 20 30 DGEDHN CCc1ccc([C@@H](CNC(=O)C(C#N)(CC)CC)N(C)C)cc1 ZINC000598981151 400919780 /nfs/dbraw/zinc/91/97/80/400919780.db2.gz KSULYTQVQAOSFB-QGZVFWFLSA-N 0 3 315.461 3.298 20 30 DGEDHN CCC(F)(F)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000598996133 400924334 /nfs/dbraw/zinc/92/43/34/400924334.db2.gz DKUYJMZVJZHAGK-UHFFFAOYSA-N 0 3 307.388 3.158 20 30 DGEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000606973245 400993091 /nfs/dbraw/zinc/99/30/91/400993091.db2.gz VHITZUJCIWYHDY-IRXDYDNUSA-N 0 3 309.498 3.495 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000057155607 400976884 /nfs/dbraw/zinc/97/68/84/400976884.db2.gz GWZISMOUDOZRMT-DLBZAZTESA-N 0 3 304.478 3.053 20 30 DGEDHN N#CCSCCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000599505152 401061471 /nfs/dbraw/zinc/06/14/71/401061471.db2.gz LZHWDQCSKZHREP-UHFFFAOYSA-N 0 3 308.422 3.316 20 30 DGEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599512714 401062357 /nfs/dbraw/zinc/06/23/57/401062357.db2.gz LOWVCIMQMKICDX-BETUJISGSA-N 0 3 321.371 3.110 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599512268 401062681 /nfs/dbraw/zinc/06/26/81/401062681.db2.gz HIFROUJQBYSMGV-CHWSQXEVSA-N 0 3 324.371 3.169 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000594441212 401070388 /nfs/dbraw/zinc/07/03/88/401070388.db2.gz OVZYICVEHOFDSR-INIZCTEOSA-N 0 3 324.384 3.224 20 30 DGEDHN COc1ccc([C@H](CCO)NCc2ccc(C)c(C#N)c2)cc1 ZINC000599348433 401029452 /nfs/dbraw/zinc/02/94/52/401029452.db2.gz KWOPTAJLRZEEMW-IBGZPJMESA-N 0 3 310.397 3.089 20 30 DGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000599349524 401029750 /nfs/dbraw/zinc/02/97/50/401029750.db2.gz IZVWHNANXIEFLU-ZBFHGGJFSA-N 0 3 302.418 3.179 20 30 DGEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cc1Cl ZINC000615230547 401035892 /nfs/dbraw/zinc/03/58/92/401035892.db2.gz CCLQWFPYJGHPEO-UGSOOPFHSA-N 0 3 314.816 3.466 20 30 DGEDHN Cc1ccc(CN(C)CCCN(C)Cc2ccco2)cc1C#N ZINC000599416017 401043429 /nfs/dbraw/zinc/04/34/29/401043429.db2.gz HJFJEEFTYXWKLN-UHFFFAOYSA-N 0 3 311.429 3.414 20 30 DGEDHN COC(=O)[C@@H]1CN(CCCC(C)(C)C#N)Cc2ccccc21 ZINC000599674262 401108300 /nfs/dbraw/zinc/10/83/00/401108300.db2.gz CABNDTSJUSEFSH-MRXNPFEDSA-N 0 3 300.402 3.089 20 30 DGEDHN N#CCCCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000060366476 401110222 /nfs/dbraw/zinc/11/02/22/401110222.db2.gz RJRPTYZIDMQDLD-KRWDZBQOSA-N 0 3 314.433 3.356 20 30 DGEDHN N#CCc1cccc2c1CCN(CCc1noc3ccccc31)C2 ZINC000599676546 401110889 /nfs/dbraw/zinc/11/08/89/401110889.db2.gz BGINEBUFYLIASL-UHFFFAOYSA-N 0 3 317.392 3.495 20 30 DGEDHN CN(C)c1ccccc1CN1CCc2c(CC#N)cccc2C1 ZINC000599678406 401112771 /nfs/dbraw/zinc/11/27/71/401112771.db2.gz JAZLQSKRUHTAIE-UHFFFAOYSA-N 0 3 305.425 3.377 20 30 DGEDHN C/C=C/C[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599691933 401118693 /nfs/dbraw/zinc/11/86/93/401118693.db2.gz VCUFDVDEJGTYGV-LZYNDVPASA-N 0 3 305.466 3.108 20 30 DGEDHN Cc1ccccc1OCCN(C)CCOc1ccccc1C#N ZINC000060466030 401119241 /nfs/dbraw/zinc/11/92/41/401119241.db2.gz BCPJWYKVYQQFJK-UHFFFAOYSA-N 0 3 310.397 3.256 20 30 DGEDHN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000599694948 401120258 /nfs/dbraw/zinc/12/02/58/401120258.db2.gz JDOZAAMSGRQOMU-XOIINTDNSA-N 0 3 300.402 3.029 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CCCC1 ZINC000060575848 401128167 /nfs/dbraw/zinc/12/81/67/401128167.db2.gz VYFDUHQIIMRLKO-UHFFFAOYSA-N 0 3 313.445 3.029 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000599770068 401136541 /nfs/dbraw/zinc/13/65/41/401136541.db2.gz FIKKAUZDUQKNAW-GDBMZVCRSA-N 0 3 301.434 3.124 20 30 DGEDHN C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000594516294 401092600 /nfs/dbraw/zinc/09/26/00/401092600.db2.gz XPBJHGRVMTUPMX-VXGBXAGGSA-N 0 3 306.381 3.326 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1cccc(C)c1)C(C)C ZINC000599626393 401093653 /nfs/dbraw/zinc/09/36/53/401093653.db2.gz FNKXXONAJPHPGS-APWZRJJASA-N 0 3 315.461 3.290 20 30 DGEDHN CC(C)[C@H](CNCc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000594520071 401097708 /nfs/dbraw/zinc/09/77/08/401097708.db2.gz XLBJNMPWTMIJMT-INIZCTEOSA-N 0 3 302.418 3.262 20 30 DGEDHN C=CCN1CCC(NC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000625323188 401098148 /nfs/dbraw/zinc/09/81/48/401098148.db2.gz SADHKAPVMDNCOI-UHFFFAOYSA-N 0 3 318.364 3.147 20 30 DGEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cc(C)ccc1C ZINC000599640639 401100380 /nfs/dbraw/zinc/10/03/80/401100380.db2.gz LNKZQHZBROQIQN-IEBWSBKVSA-N 0 3 313.445 3.153 20 30 DGEDHN C=CCCSCCNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000594960892 401208198 /nfs/dbraw/zinc/20/81/98/401208198.db2.gz ZRJVWMFSCMKYBO-UHFFFAOYSA-N 0 3 317.458 3.280 20 30 DGEDHN C=CCCSCCNCc1c(C)nn(-c2ccccn2)c1C ZINC000594960418 401208439 /nfs/dbraw/zinc/20/84/39/401208439.db2.gz QAELXBWYNBOFKP-UHFFFAOYSA-N 0 3 316.474 3.283 20 30 DGEDHN CO[C@](C)(CNCc1cccc(C#N)c1)COCc1ccccc1 ZINC000594974540 401216499 /nfs/dbraw/zinc/21/64/99/401216499.db2.gz LMURAPXJDXBVPN-HXUWFJFHSA-N 0 3 324.424 3.270 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000594914425 401186762 /nfs/dbraw/zinc/18/67/62/401186762.db2.gz IBUUVTDEGSUFQX-IBGZPJMESA-N 0 3 308.381 3.016 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCN(CC3CCCCC3)CC2)c1 ZINC000064129435 401229908 /nfs/dbraw/zinc/22/99/08/401229908.db2.gz VJXGAXYKUQGDII-UHFFFAOYSA-N 0 3 315.436 3.395 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC(F)(F)CC1 ZINC000600255178 401232099 /nfs/dbraw/zinc/23/20/99/401232099.db2.gz VGOXIEFBHDRQLN-HNNXBMFYSA-N 0 3 306.356 3.407 20 30 DGEDHN C=CCc1cc(CN[C@H](CO)CCC(C)C)cc(OC)c1O ZINC000623646372 401561357 /nfs/dbraw/zinc/56/13/57/401561357.db2.gz DNYUBGWMGZNFJX-INIZCTEOSA-N 0 3 307.434 3.016 20 30 DGEDHN CN(CCSc1cc(C#N)ccn1)Cc1ccc(F)cc1 ZINC000185687854 165013151 /nfs/dbraw/zinc/01/31/51/165013151.db2.gz ALAWNFSWYZAGOY-UHFFFAOYSA-N 0 3 301.390 3.316 20 30 DGEDHN N#Cc1ccc(N2CCN(CCCCc3ccccc3)CC2)nc1 ZINC000186729589 165057222 /nfs/dbraw/zinc/05/72/22/165057222.db2.gz DFWMVPPJRXRPPB-UHFFFAOYSA-N 0 3 320.440 3.098 20 30 DGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000192151943 165284999 /nfs/dbraw/zinc/28/49/99/165284999.db2.gz RXXNFHIFSOLZRB-LBPRGKRZSA-N 0 3 323.371 3.433 20 30 DGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192218041 165286742 /nfs/dbraw/zinc/28/67/42/165286742.db2.gz ZTTRUMSMIGOXPA-SFHVURJKSA-N 0 3 312.388 3.387 20 30 DGEDHN N#Cc1ccccc1OCCN[C@@H]1CCCc2c(O)cccc21 ZINC000192362821 165290562 /nfs/dbraw/zinc/29/05/62/165290562.db2.gz DPVMOYBDPBNKQP-QGZVFWFLSA-N 0 3 308.381 3.310 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1F ZINC000365267484 287116226 /nfs/dbraw/zinc/11/62/26/287116226.db2.gz XJHASHXXMYUDTP-GOEBONIOSA-N 0 3 302.393 3.336 20 30 DGEDHN C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1cccc(C#N)c1 ZINC000182135814 432159827 /nfs/dbraw/zinc/15/98/27/432159827.db2.gz FFSNRVYGBXAVPZ-YOEHRIQHSA-N 0 3 300.402 3.285 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc(Cl)cc2)CC1 ZINC000171716114 432165264 /nfs/dbraw/zinc/16/52/64/432165264.db2.gz LTHGZDWPZAJLMD-UHFFFAOYSA-N 0 3 320.864 3.384 20 30 DGEDHN C=CCN1CCC(NC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000171722326 432165316 /nfs/dbraw/zinc/16/53/16/432165316.db2.gz WDAYRJVWHHIRBL-UHFFFAOYSA-N 0 3 318.417 3.421 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OCCC)CC1 ZINC000171737753 432167582 /nfs/dbraw/zinc/16/75/82/432167582.db2.gz XDQQYAHZJLBWIX-UHFFFAOYSA-N 0 3 317.433 3.247 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1ccsc1 ZINC000269384811 432167799 /nfs/dbraw/zinc/16/77/99/432167799.db2.gz AKSYKGRIYGGYEK-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN CN(C)CCOc1ccc(NCc2ccc(C#N)cc2F)cc1 ZINC000269397583 432169547 /nfs/dbraw/zinc/16/95/47/432169547.db2.gz FFLKQALITDUJDG-UHFFFAOYSA-N 0 3 313.376 3.250 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000171943729 432185745 /nfs/dbraw/zinc/18/57/45/432185745.db2.gz VGKYYGDFHNDRIN-IBGZPJMESA-N 0 3 313.445 3.270 20 30 DGEDHN N#CC(C(=O)c1ccc(F)c(F)c1)c1cnc2ccccc2n1 ZINC000190969638 432207602 /nfs/dbraw/zinc/20/76/02/432207602.db2.gz CFKRRZJXDKEYHE-NSHDSACASA-N 0 3 309.275 3.398 20 30 DGEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000191126353 432223997 /nfs/dbraw/zinc/22/39/97/432223997.db2.gz CJPZIZMFOTVVSI-PXAZEXFGSA-N 0 3 317.820 3.416 20 30 DGEDHN N#Cc1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000132811248 196286449 /nfs/dbraw/zinc/28/64/49/196286449.db2.gz GYBXJKQJFSALMT-IBGZPJMESA-N 0 3 323.415 3.452 20 30 DGEDHN COc1cccc([C@@H](C)N2CCN(CCCCC#N)CC2)c1 ZINC000171704430 228272084 /nfs/dbraw/zinc/27/20/84/228272084.db2.gz SCQKPUUEAZXQOE-MRXNPFEDSA-N 0 3 301.434 3.068 20 30 DGEDHN N#CCCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247090 228288964 /nfs/dbraw/zinc/28/89/64/228288964.db2.gz MXFFNDDWIGHPJC-UHFFFAOYSA-N 0 3 303.362 3.132 20 30 DGEDHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181998070 228364566 /nfs/dbraw/zinc/36/45/66/228364566.db2.gz MTZQNJNSQJJJHI-HNAYVOBHSA-N 0 3 310.397 3.282 20 30 DGEDHN N#CCCCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183731646 228375089 /nfs/dbraw/zinc/37/50/89/228375089.db2.gz XLCZXCXPMMCXRB-UHFFFAOYSA-N 0 3 324.215 3.358 20 30 DGEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000330905884 229008679 /nfs/dbraw/zinc/00/86/79/229008679.db2.gz NATUQXBHOONLPN-SKDRFNHKSA-N 0 3 311.769 3.036 20 30 DGEDHN Cc1ncc(C(=O)NCCN2CCCC(C)(C)C2)c(C(C)C)n1 ZINC000330961763 229011224 /nfs/dbraw/zinc/01/12/24/229011224.db2.gz JYBGYMXUYQTIDU-UHFFFAOYSA-N 0 3 318.465 3.335 20 30 DGEDHN CC(C#N)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000337552312 229050015 /nfs/dbraw/zinc/05/00/15/229050015.db2.gz HBNFUDZZQXGPCL-LLVKDONJSA-N 0 3 321.218 3.315 20 30 DGEDHN Cc1ccsc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000338742037 229067750 /nfs/dbraw/zinc/06/77/50/229067750.db2.gz DVOPNYDBRAOCBC-INIZCTEOSA-N 0 3 323.421 3.269 20 30 DGEDHN Cc1ccsc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000338742038 229067899 /nfs/dbraw/zinc/06/78/99/229067899.db2.gz DVOPNYDBRAOCBC-MRXNPFEDSA-N 0 3 323.421 3.269 20 30 DGEDHN N#CCCOCCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000339052006 229073169 /nfs/dbraw/zinc/07/31/69/229073169.db2.gz JAKDONFERYFNDK-OAHLLOKOSA-N 0 3 322.836 3.361 20 30 DGEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000344917606 229145676 /nfs/dbraw/zinc/14/56/76/229145676.db2.gz CPBVTXQNGUVBHM-XJKSGUPXSA-N 0 3 314.433 3.092 20 30 DGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000347043542 229179934 /nfs/dbraw/zinc/17/99/34/229179934.db2.gz XIWZMQWUGBGSLS-ZDUSSCGKSA-N 0 3 306.365 3.064 20 30 DGEDHN CC(C#N)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000347962934 229194862 /nfs/dbraw/zinc/19/48/62/229194862.db2.gz TVNQHXPANJOFDY-MWLCHTKSSA-N 0 3 313.184 3.133 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCc3occc32)cc1 ZINC000348231511 229200400 /nfs/dbraw/zinc/20/04/00/229200400.db2.gz OLXZOVACWUJCTO-RDJZCZTQSA-N 0 3 319.364 3.027 20 30 DGEDHN N#CC(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccncn1 ZINC000354455796 229296051 /nfs/dbraw/zinc/29/60/51/229296051.db2.gz BEEAEIWHMRFZID-NSHDSACASA-N 0 3 309.222 3.125 20 30 DGEDHN Cc1cc(C)c(C(=O)C(C#N)c2nc(C(C)C)cs2)c(=O)[nH]1 ZINC000354219538 229290579 /nfs/dbraw/zinc/29/05/79/229290579.db2.gz NMODZBKKLNGCIN-LLVKDONJSA-N 0 3 315.398 3.474 20 30 DGEDHN CN(C)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000302191044 230152627 /nfs/dbraw/zinc/15/26/27/230152627.db2.gz BJDQNKTUKGFFOD-MRXNPFEDSA-N 0 3 324.384 3.051 20 30 DGEDHN CN(C(=O)c1cccc(CN2CCCCC2)c1)C1(C#N)CCC1 ZINC000413248738 230167691 /nfs/dbraw/zinc/16/76/91/230167691.db2.gz SBFVZARGSWJMIT-UHFFFAOYSA-N 0 3 311.429 3.191 20 30 DGEDHN Cc1cc(NC[C@H]2CCCCN2C2CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413273727 230174201 /nfs/dbraw/zinc/17/42/01/230174201.db2.gz YWHZPJCTFDNAPM-OAHLLOKOSA-N 0 3 314.389 3.204 20 30 DGEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1ccc(C#N)s1 ZINC000227632925 263840682 /nfs/dbraw/zinc/84/06/82/263840682.db2.gz DCVZEEVAYYFTHE-KGLIPLIRSA-N 0 3 321.446 3.155 20 30 DGEDHN C[C@@H]1CN(c2ccc(C#N)cn2)[C@H](C)CN1Cc1ccccc1 ZINC000346651649 264073840 /nfs/dbraw/zinc/07/38/40/264073840.db2.gz HRDATEYIYZGSLP-HZPDHXFCSA-N 0 3 306.413 3.052 20 30 DGEDHN Cc1cc(CN2CC[C@@H](OCc3ccncc3)C2)ccc1C#N ZINC000347071191 264151806 /nfs/dbraw/zinc/15/18/06/264151806.db2.gz DOGAJDDAAUFDGK-LJQANCHMSA-N 0 3 307.397 3.053 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000347262950 264185487 /nfs/dbraw/zinc/18/54/87/264185487.db2.gz PKZKJVTZSYZACW-AEFFLSMTSA-N 0 3 302.418 3.202 20 30 DGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000347299769 264192436 /nfs/dbraw/zinc/19/24/36/264192436.db2.gz GLUMBEJJRYIUEQ-HNAYVOBHSA-N 0 3 319.408 3.124 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000347299765 264192611 /nfs/dbraw/zinc/19/26/11/264192611.db2.gz GLUMBEJJRYIUEQ-DNVCBOLYSA-N 0 3 319.408 3.124 20 30 DGEDHN C[C@H](CNc1nc2c(cc1C#N)CCC2)N(C)Cc1ccccc1 ZINC000347326100 264197218 /nfs/dbraw/zinc/19/72/18/264197218.db2.gz WSFBZJXNGWBABX-OAHLLOKOSA-N 0 3 320.440 3.374 20 30 DGEDHN CC(C)(CO)[C@@H](NCc1cccc(C#N)c1)c1cccs1 ZINC000347708313 264271456 /nfs/dbraw/zinc/27/14/56/264271456.db2.gz PHTCKBKLVJUULB-INIZCTEOSA-N 0 3 300.427 3.469 20 30 DGEDHN CCCN1CCC[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348727123 264442663 /nfs/dbraw/zinc/44/26/63/264442663.db2.gz JSTNEAVOMJFHBT-LJQANCHMSA-N 0 3 323.440 3.048 20 30 DGEDHN COc1ccc(C[C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000361555874 270004775 /nfs/dbraw/zinc/00/47/75/270004775.db2.gz DELMWNYRMQIFGH-KRWDZBQOSA-N 0 3 323.440 3.360 20 30 DGEDHN Cc1cc(CCNCc2ccc(C#N)cc2C(F)(F)F)on1 ZINC000352950704 265242947 /nfs/dbraw/zinc/24/29/47/265242947.db2.gz UNUFBXQWLNKBET-UHFFFAOYSA-N 0 3 309.291 3.206 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC)N(CC)CC ZINC000359569582 266049384 /nfs/dbraw/zinc/04/93/84/266049384.db2.gz IOISXRZJISARLD-GOSISDBHSA-N 0 3 315.461 3.417 20 30 DGEDHN CCN(CCC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000355041110 266123174 /nfs/dbraw/zinc/12/31/74/266123174.db2.gz VBSPDSLPTSTJQY-SFHVURJKSA-N 0 3 311.429 3.176 20 30 DGEDHN CC[C@H](C)[C@H](C)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000355821566 266198533 /nfs/dbraw/zinc/19/85/33/266198533.db2.gz SCJLRWJZAYXIMH-GJZGRUSLSA-N 0 3 313.445 3.073 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)CCOc2ccccc2C#N)C12CCC2 ZINC000357796057 266296532 /nfs/dbraw/zinc/29/65/32/266296532.db2.gz JFLHTZJSGNSXDR-ZWKOTPCHSA-N 0 3 314.429 3.217 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCCCC2 ZINC000361563325 266297134 /nfs/dbraw/zinc/29/71/34/266297134.db2.gz KBTNORJZDIEGDQ-ZWKOTPCHSA-N 0 3 315.461 3.456 20 30 DGEDHN CCc1cnccc1[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000361134474 266447441 /nfs/dbraw/zinc/44/74/41/266447441.db2.gz GDDWRAQNHWUVHF-CQSZACIVSA-N 0 3 322.412 3.195 20 30 DGEDHN COCCN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CC=CCC1 ZINC000361686095 266690296 /nfs/dbraw/zinc/69/02/96/266690296.db2.gz HZIWKYALBSJUBY-INIZCTEOSA-N 0 3 324.428 3.011 20 30 DGEDHN COc1cc(CN2CCC(c3ccccn3)CC2)ccc1C#N ZINC000375580388 266810188 /nfs/dbraw/zinc/81/01/88/266810188.db2.gz CODSOKJHQIRLQU-UHFFFAOYSA-N 0 3 307.397 3.341 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000359982727 267139587 /nfs/dbraw/zinc/13/95/87/267139587.db2.gz YIBOSOQDDPHARN-AWEZNQCLSA-N 0 3 307.397 3.362 20 30 DGEDHN CC[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000527997641 267198040 /nfs/dbraw/zinc/19/80/40/267198040.db2.gz JHRAQVQPGOMFJT-AEFFLSMTSA-N 0 3 305.381 3.162 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000131746430 267207196 /nfs/dbraw/zinc/20/71/96/267207196.db2.gz MMLBMIRLXNGQNY-WBVHZDCISA-N 0 3 314.429 3.137 20 30 DGEDHN CN(CCC1CCCCC1)CC(=O)NCc1cccc(C#N)c1 ZINC000507634818 267305063 /nfs/dbraw/zinc/30/50/63/267305063.db2.gz PASDZHHTKLVQOU-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN Cc1cc(CNCc2ccc(C#N)c(C)c2)cc(N2CCCC2)n1 ZINC000353208246 267326449 /nfs/dbraw/zinc/32/64/49/267326449.db2.gz JBMATQWHEUOPJR-UHFFFAOYSA-N 0 3 320.440 3.460 20 30 DGEDHN Cc1cc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)oc1C ZINC000370222834 267364280 /nfs/dbraw/zinc/36/42/80/267364280.db2.gz OEVLTBXKPULZSB-AWEZNQCLSA-N 0 3 324.428 3.483 20 30 DGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000151319019 432237759 /nfs/dbraw/zinc/23/77/59/432237759.db2.gz CHAZBQUALSIDNZ-HOCLYGCPSA-N 0 3 311.454 3.372 20 30 DGEDHN N#Cc1cccc(OC2CCN(CCCc3ccncc3)CC2)c1 ZINC000360437415 268271173 /nfs/dbraw/zinc/27/11/73/268271173.db2.gz MEXLMVBUEXXMOE-UHFFFAOYSA-N 0 3 321.424 3.429 20 30 DGEDHN COc1ccc(NC(=O)C[C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151391832 432242146 /nfs/dbraw/zinc/24/21/46/432242146.db2.gz ZHIYDJSEQDZYFS-AWEZNQCLSA-N 0 3 323.396 3.074 20 30 DGEDHN COc1ccccc1NC(=O)C[C@@H](C)NCc1cccc(C#N)c1 ZINC000151396337 432243860 /nfs/dbraw/zinc/24/38/60/432243860.db2.gz AXJSYPSBCRUTCC-CQSZACIVSA-N 0 3 323.396 3.074 20 30 DGEDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191285395 432244883 /nfs/dbraw/zinc/24/48/83/432244883.db2.gz KXKWETOYJWCKTI-KRWDZBQOSA-N 0 3 309.413 3.112 20 30 DGEDHN CC[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(C#N)cc1 ZINC000290444105 273752721 /nfs/dbraw/zinc/75/27/21/273752721.db2.gz VQPOBZDOHDCCQL-SCTDSRPQSA-N 0 3 308.381 3.094 20 30 DGEDHN CN(C(=O)CNC(C)(C)c1ccccc1)C1(C#N)CCCCC1 ZINC000299588365 273785417 /nfs/dbraw/zinc/78/54/17/273785417.db2.gz DQCURGHIXFRPTP-UHFFFAOYSA-N 0 3 313.445 3.196 20 30 DGEDHN CN1CCC(Nc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000153032847 273870487 /nfs/dbraw/zinc/87/04/87/273870487.db2.gz AIJBQMWQHHPXOJ-UHFFFAOYSA-N 0 3 318.783 3.405 20 30 DGEDHN C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271924270 274250000 /nfs/dbraw/zinc/25/00/00/274250000.db2.gz FYNMFHBCYFTPRT-YJYMSZOUSA-N 0 3 310.372 3.182 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1cccc2Br ZINC000449517549 275437747 /nfs/dbraw/zinc/43/77/47/275437747.db2.gz GMOXPFMZDWCQMN-KFWWJZLASA-N 0 3 308.219 3.370 20 30 DGEDHN CC(=O)N1CC[C@@H](NCc2ccc(C#N)c(C)c2)c2ccccc21 ZINC000443981641 275465525 /nfs/dbraw/zinc/46/55/25/275465525.db2.gz BIYOEPXQFJIOES-LJQANCHMSA-N 0 3 319.408 3.454 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](CN2CCC(C)(C#N)CC2)C1 ZINC000494973503 277185834 /nfs/dbraw/zinc/18/58/34/277185834.db2.gz SGKJMYNAEJUPRG-OAHLLOKOSA-N 0 3 321.465 3.259 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCC(C#N)CC2)C1 ZINC000495548048 277185858 /nfs/dbraw/zinc/18/58/58/277185858.db2.gz IEPJYLVBMWRHLS-MRXNPFEDSA-N 0 3 321.465 3.259 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000439650973 277773379 /nfs/dbraw/zinc/77/33/79/277773379.db2.gz QTCVNOADPGIIBP-YESZJQIVSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CCC1 ZINC000188879243 277824480 /nfs/dbraw/zinc/82/44/80/277824480.db2.gz ZTHFLPGIBLNRGD-GVDBMIGSSA-N 0 3 302.462 3.066 20 30 DGEDHN COc1cccc(OC)c1OC1CCN([C@@H](C)CCC#N)CC1 ZINC000276318173 278018643 /nfs/dbraw/zinc/01/86/43/278018643.db2.gz OAZLJWCGBJQFQS-AWEZNQCLSA-N 0 3 318.417 3.239 20 30 DGEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@@H](C2CC2)C1 ZINC000328979417 278159433 /nfs/dbraw/zinc/15/94/33/278159433.db2.gz XJWQRESDKJQNCA-TZMCWYRMSA-N 0 3 307.438 3.310 20 30 DGEDHN CC(C)(CCC#N)CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000352271054 278599568 /nfs/dbraw/zinc/59/95/68/278599568.db2.gz MVJGRDKHQYOEES-INIZCTEOSA-N 0 3 317.408 3.065 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CCC1 ZINC000111296515 431209922 /nfs/dbraw/zinc/20/99/22/431209922.db2.gz QEXHYNGHJLBEOE-AWEZNQCLSA-N 0 3 317.408 3.193 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000112699297 431297696 /nfs/dbraw/zinc/29/76/96/431297696.db2.gz XFRFBTIYHXOERP-VQIMIIECSA-N 0 3 315.461 3.324 20 30 DGEDHN N#CCSCCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000074991271 431448527 /nfs/dbraw/zinc/44/85/27/431448527.db2.gz KFRBMQLEUNXVPH-OAHLLOKOSA-N 0 3 320.433 3.367 20 30 DGEDHN CCO[C@@H]1C[C@@](CO)(NCCC2(C#N)CCCCC2)C1(C)C ZINC000411615766 279828195 /nfs/dbraw/zinc/82/81/95/279828195.db2.gz SCMPEUGVMDXZDV-QAPCUYQASA-N 0 3 308.466 3.006 20 30 DGEDHN C=CCCCN1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000075887770 431504586 /nfs/dbraw/zinc/50/45/86/431504586.db2.gz XBBYBGWVZPKGCA-OAHLLOKOSA-N 0 3 323.506 3.324 20 30 DGEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000116908769 431538474 /nfs/dbraw/zinc/53/84/74/431538474.db2.gz SNDWKGILZYYXEK-HOCLYGCPSA-N 0 3 314.454 3.312 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000116972876 431539836 /nfs/dbraw/zinc/53/98/36/431539836.db2.gz WVTBSJFHTCSJEC-DOTOQJQBSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000116972218 431540810 /nfs/dbraw/zinc/54/08/10/431540810.db2.gz BUWOUHAAPLMEOD-RDJZCZTQSA-N 0 3 301.434 3.087 20 30 DGEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396575 431604979 /nfs/dbraw/zinc/60/49/79/431604979.db2.gz RMTHRZMFWUXCFQ-RDJZCZTQSA-N 0 3 313.445 3.103 20 30 DGEDHN Cc1nc(C[C@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000118396120 431603777 /nfs/dbraw/zinc/60/37/77/431603777.db2.gz CAZDSSCFGOEDGH-XJKSGUPXSA-N 0 3 310.401 3.265 20 30 DGEDHN C=CCC(CC=C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000121478487 431791343 /nfs/dbraw/zinc/79/13/43/431791343.db2.gz QVDFKWPVIDQKBP-SFHVURJKSA-N 0 3 300.446 3.044 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)/C=C/c2cccc(C#N)c2)c1 ZINC000033176904 431807736 /nfs/dbraw/zinc/80/77/36/431807736.db2.gz GARSOPJRJPAOAV-MDZDMXLPSA-N 0 3 305.381 3.272 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000122664594 431840947 /nfs/dbraw/zinc/84/09/47/431840947.db2.gz ZXVPJJGQEPSOEQ-ZDUSSCGKSA-N 0 3 315.360 3.056 20 30 DGEDHN N#CC(C(=O)c1csc(Br)c1)c1ccccn1 ZINC000041481426 431859498 /nfs/dbraw/zinc/85/94/98/431859498.db2.gz KFCHFKGHISREKE-VIFPVBQESA-N 0 3 307.172 3.396 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(OC)c1C ZINC000041521404 431859795 /nfs/dbraw/zinc/85/97/95/431859795.db2.gz YZUNCRNHHBFKDJ-LBPRGKRZSA-N 0 3 316.382 3.267 20 30 DGEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(OC)c1C ZINC000041521406 431859956 /nfs/dbraw/zinc/85/99/56/431859956.db2.gz YZUNCRNHHBFKDJ-GFCCVEGCSA-N 0 3 316.382 3.267 20 30 DGEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2ccccn2)cn1 ZINC000123572154 431867885 /nfs/dbraw/zinc/86/78/85/431867885.db2.gz IGMMBQRGMWGANK-HNNXBMFYSA-N 0 3 308.385 3.203 20 30 DGEDHN COc1ccc(N2CCN(CCCC(C)(C)C#N)CC2)cc1F ZINC000084866498 431834099 /nfs/dbraw/zinc/83/40/99/431834099.db2.gz PZTKEPFMKHHYDH-UHFFFAOYSA-N 0 3 319.424 3.286 20 30 DGEDHN Cc1cc(C[C@@H](C)NCc2ccc(C#N)o2)n(-c2ccccc2)n1 ZINC000122535666 431836350 /nfs/dbraw/zinc/83/63/50/431836350.db2.gz XEGMGDGCCGFEAW-CQSZACIVSA-N 0 3 320.396 3.366 20 30 DGEDHN C[C@@H](c1cccnc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000093413667 431914236 /nfs/dbraw/zinc/91/42/36/431914236.db2.gz AQFRZONOQURUJJ-INIZCTEOSA-N 0 3 300.450 3.090 20 30 DGEDHN CC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000124083797 431882893 /nfs/dbraw/zinc/88/28/93/431882893.db2.gz UATNQGQCLYUVGH-GOSISDBHSA-N 0 3 323.396 3.246 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000090201345 431890309 /nfs/dbraw/zinc/89/03/09/431890309.db2.gz KKVMRHNNTLMORN-ZDUSSCGKSA-N 0 3 321.446 3.109 20 30 DGEDHN Cc1cccc(C)c1OC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000046835914 431901149 /nfs/dbraw/zinc/90/11/49/431901149.db2.gz GWCUGDLILVRCTC-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN CO[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000091772295 431905209 /nfs/dbraw/zinc/90/52/09/431905209.db2.gz AZLXSSRZCZXUJO-GOSISDBHSA-N 0 3 324.428 3.075 20 30 DGEDHN N#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000052659095 431957478 /nfs/dbraw/zinc/95/74/78/431957478.db2.gz BNBRVCZMRMSBCZ-SFHVURJKSA-N 0 3 309.413 3.468 20 30 DGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000126954611 431961470 /nfs/dbraw/zinc/96/14/70/431961470.db2.gz JZABORGVJBERKO-UXHICEINSA-N 0 3 322.408 3.437 20 30 DGEDHN CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424184465 281143003 /nfs/dbraw/zinc/14/30/03/281143003.db2.gz MHWVFZRVPFPWBH-DLBZAZTESA-N 0 3 313.445 3.228 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000285059017 281283381 /nfs/dbraw/zinc/28/33/81/281283381.db2.gz DGYYGRPTOKZCGR-PKOBYXMFSA-N 0 3 313.445 3.188 20 30 DGEDHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000183290860 432280885 /nfs/dbraw/zinc/28/08/85/432280885.db2.gz VDRHTFXJHPYJMA-CJNGLKHVSA-N 0 3 315.417 3.218 20 30 DGEDHN CC[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000248546850 432300284 /nfs/dbraw/zinc/30/02/84/432300284.db2.gz FAAJLGXMRWGALP-QJPTWQEYSA-N 0 3 319.474 3.460 20 30 DGEDHN CCN(C[C@H]1CC2(CCC2)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191959034 432318022 /nfs/dbraw/zinc/31/80/22/432318022.db2.gz VGERLNIDMZFJTC-WMLDXEAASA-N 0 3 312.413 3.427 20 30 DGEDHN N#Cc1ccc(OCCN[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000191972298 432319935 /nfs/dbraw/zinc/31/99/35/432319935.db2.gz FTTZBPZMJNHNHN-MOPGFXCFSA-N 0 3 308.381 3.057 20 30 DGEDHN CC(C)N(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000271052208 432323617 /nfs/dbraw/zinc/32/36/17/432323617.db2.gz WSZIBFUCVRENRK-UHFFFAOYSA-N 0 3 324.424 3.340 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000192038399 432327243 /nfs/dbraw/zinc/32/72/43/432327243.db2.gz YAXVZTZGEPLJOP-INIZCTEOSA-N 0 3 318.486 3.441 20 30 DGEDHN CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192125196 432334714 /nfs/dbraw/zinc/33/47/14/432334714.db2.gz OSMMWWDLOJVITJ-AWEZNQCLSA-N 0 3 318.392 3.253 20 30 DGEDHN COc1ccc(CCNCc2ccc(C#N)o2)cc1OC(F)F ZINC000174331599 432338948 /nfs/dbraw/zinc/33/89/48/432338948.db2.gz HJHOXHBQSXHMRS-UHFFFAOYSA-N 0 3 322.311 3.094 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000249125084 432340268 /nfs/dbraw/zinc/34/02/68/432340268.db2.gz ZQEZRNRDQQXSTP-UEKVPHQBSA-N 0 3 303.406 3.121 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1C1CCCCC1 ZINC000249712828 432355522 /nfs/dbraw/zinc/35/55/22/432355522.db2.gz GDGSYLPPRBFNOX-FUHWJXTLSA-N 0 3 305.466 3.086 20 30 DGEDHN CC(C)C(=O)NC[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249281981 432343049 /nfs/dbraw/zinc/34/30/49/432343049.db2.gz NVVQPWMQWQOFJA-NVXWUHKLSA-N 0 3 313.445 3.103 20 30 DGEDHN N#Cc1cccc(CNCc2ccc(Oc3cnccn3)cc2)c1 ZINC000174405849 432345321 /nfs/dbraw/zinc/34/53/21/432345321.db2.gz NNZOETRJAOOEEF-UHFFFAOYSA-N 0 3 316.364 3.430 20 30 DGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N(CC)CC ZINC000270992072 432312386 /nfs/dbraw/zinc/31/23/86/432312386.db2.gz HZSHTLRFEMBHFI-CABCVRRESA-N 0 3 307.825 3.141 20 30 DGEDHN C=C(C)CN1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000152203147 432312947 /nfs/dbraw/zinc/31/29/47/432312947.db2.gz GYRCWCJHMJAVLG-UHFFFAOYSA-N 0 3 323.824 3.378 20 30 DGEDHN CC(C)(C)OC(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000174831042 432372980 /nfs/dbraw/zinc/37/29/80/432372980.db2.gz BOFOFWXGJTWMPZ-UHFFFAOYSA-N 0 3 309.454 3.259 20 30 DGEDHN C[C@@H](C1CC1)N(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192543907 432384666 /nfs/dbraw/zinc/38/46/66/432384666.db2.gz IITYGALMFLKJLZ-IFXJQAMLSA-N 0 3 323.440 3.317 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000192541999 432385448 /nfs/dbraw/zinc/38/54/48/432385448.db2.gz PGANCBIEZHMKBI-GOSISDBHSA-N 0 3 313.445 3.170 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(C)C)C1=O ZINC000192542015 432385730 /nfs/dbraw/zinc/38/57/30/432385730.db2.gz PGANCBIEZHMKBI-SFHVURJKSA-N 0 3 313.445 3.170 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)s1 ZINC000252802474 432387810 /nfs/dbraw/zinc/38/78/10/432387810.db2.gz MPICXJGJQVEVJX-SUMWQHHRSA-N 0 3 301.459 3.068 20 30 DGEDHN C=CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000175159517 432406201 /nfs/dbraw/zinc/40/62/01/432406201.db2.gz KVNIJRUFLRICCT-UHFFFAOYSA-N 0 3 315.461 3.432 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000152851737 432361182 /nfs/dbraw/zinc/36/11/82/432361182.db2.gz CAOYQCQPZYJNET-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000152854816 432362103 /nfs/dbraw/zinc/36/21/03/432362103.db2.gz WYTBECRGYQJCIF-IBGZPJMESA-N 0 3 312.457 3.337 20 30 DGEDHN CC[C@@H]1Oc2cc([C@H](C)NCCC(C)(C)C#N)ccc2NC1=O ZINC000272030752 432433172 /nfs/dbraw/zinc/43/31/72/432433172.db2.gz OYYUAOWTULKHDI-WFASDCNBSA-N 0 3 315.417 3.387 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccc(Br)cc2)C1 ZINC000192976867 432435238 /nfs/dbraw/zinc/43/52/38/432435238.db2.gz ODYIYUCSDCWFLI-OCCSQVGLSA-N 0 3 323.234 3.500 20 30 DGEDHN C=C(C)COCCN[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000193023008 432440743 /nfs/dbraw/zinc/44/07/43/432440743.db2.gz PZLXZHWEQQPSSE-CQSZACIVSA-N 0 3 321.417 3.324 20 30 DGEDHN CCN(CC(C)C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000153768389 432440875 /nfs/dbraw/zinc/44/08/75/432440875.db2.gz OWWYOTFJICZHDK-OAHLLOKOSA-N 0 3 319.424 3.439 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000192777629 432412586 /nfs/dbraw/zinc/41/25/86/432412586.db2.gz ZQEZRNRDQQXSTP-JRPNMDOOSA-N 0 3 303.406 3.121 20 30 DGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1 ZINC000271880464 432425870 /nfs/dbraw/zinc/42/58/70/432425870.db2.gz GBXOZFISCLCUCM-INIZCTEOSA-N 0 3 321.424 3.003 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](CCC=C)c2ccccc2)CC1 ZINC000154247207 432484630 /nfs/dbraw/zinc/48/46/30/432484630.db2.gz JQSYITXFDYQLLN-LJQANCHMSA-N 0 3 310.441 3.155 20 30 DGEDHN C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000193658589 432488485 /nfs/dbraw/zinc/48/84/85/432488485.db2.gz JEDUHORQURQTSP-SZVBFZGTSA-N 0 3 318.461 3.023 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@@H](O)c2ccsc2)cc1 ZINC000154461818 432499159 /nfs/dbraw/zinc/49/91/59/432499159.db2.gz VPOPWPLQEYLMMH-SUMWQHHRSA-N 0 3 301.411 3.144 20 30 DGEDHN N#Cc1ccc(NC2CCN(CCc3ccccc3)CC2)cn1 ZINC000176787336 432552768 /nfs/dbraw/zinc/55/27/68/432552768.db2.gz JQHHUDTXUQGHPS-UHFFFAOYSA-N 0 3 306.413 3.072 20 30 DGEDHN N#Cc1cccc(NC(=O)CN[C@H](c2ccccc2)C2CC2)c1 ZINC000194551642 432560281 /nfs/dbraw/zinc/56/02/81/432560281.db2.gz JZZXPFKLXOCHMP-LJQANCHMSA-N 0 3 305.381 3.238 20 30 DGEDHN CC1(C#N)CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000272580596 432527993 /nfs/dbraw/zinc/52/79/93/432527993.db2.gz YARLUHJQLWYZDZ-UHFFFAOYSA-N 0 3 311.429 3.048 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000185778247 432531956 /nfs/dbraw/zinc/53/19/56/432531956.db2.gz CYDKUIFLDDOSNI-YPMHNXCESA-N 0 3 313.323 3.195 20 30 DGEDHN N#C[C@H]1CCC[C@H](NCCOc2cccc(Br)c2)C1 ZINC000185793573 432533999 /nfs/dbraw/zinc/53/39/99/432533999.db2.gz RJLDTIKUVYRJOZ-JSGCOSHPSA-N 0 3 323.234 3.500 20 30 DGEDHN Cc1ccnc(NC2CCN(Cc3ccccc3)CC2)c1C#N ZINC000273032961 432539763 /nfs/dbraw/zinc/53/97/63/432539763.db2.gz NGESUFQWJUJYAS-UHFFFAOYSA-N 0 3 306.413 3.338 20 30 DGEDHN Cn1c2ccccc2nc1C(C)(C)NCCCSCC#N ZINC000186551926 432607526 /nfs/dbraw/zinc/60/75/26/432607526.db2.gz DCIQDDCGEKBKRP-UHFFFAOYSA-N 0 3 302.447 3.045 20 30 DGEDHN C[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)N(C)C ZINC000264047512 432608462 /nfs/dbraw/zinc/60/84/62/432608462.db2.gz AKWOPUVWFWJUNR-AWEZNQCLSA-N 0 3 323.396 3.030 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000155716201 432569726 /nfs/dbraw/zinc/56/97/26/432569726.db2.gz XXMLDUGKHXKTSF-ZDUSSCGKSA-N 0 3 319.286 3.024 20 30 DGEDHN COc1ccc(OCCCNCc2ccc(C#N)s2)cc1 ZINC000176954870 432569877 /nfs/dbraw/zinc/56/98/77/432569877.db2.gz VXQMUPAFAYGGNC-UHFFFAOYSA-N 0 3 302.399 3.187 20 30 DGEDHN CCN1CCN(c2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2)CC1 ZINC000194716252 432570453 /nfs/dbraw/zinc/57/04/53/432570453.db2.gz GVZQRYIHYYEDPP-DLBZAZTESA-N 0 3 312.461 3.323 20 30 DGEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000273312409 432582623 /nfs/dbraw/zinc/58/26/23/432582623.db2.gz NVDUQSUAFMUJBR-MJGOQNOKSA-N 0 3 323.440 3.214 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186335428 432583562 /nfs/dbraw/zinc/58/35/62/432583562.db2.gz CXFWIDONGDCSMK-FQEVSTJZSA-N 0 3 304.393 3.498 20 30 DGEDHN CC#CCCN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000156617863 432601630 /nfs/dbraw/zinc/60/16/30/432601630.db2.gz PRRWYUBSAVLWQE-HNNXBMFYSA-N 0 3 317.408 3.073 20 30 DGEDHN C=CCSCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000264386534 432642138 /nfs/dbraw/zinc/64/21/38/432642138.db2.gz QSZDQHLBRFKRER-UHFFFAOYSA-N 0 3 320.458 3.387 20 30 DGEDHN C=CCN1CCC(Nc2ncnc3c4ccccc4oc32)CC1 ZINC000264423892 432644524 /nfs/dbraw/zinc/64/45/24/432644524.db2.gz JILYOTZGIJTUCC-UHFFFAOYSA-N 0 3 308.385 3.438 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274344002 432654625 /nfs/dbraw/zinc/65/46/25/432654625.db2.gz NEZRKZCFDISIMZ-HKUYNNGSSA-N 0 3 312.457 3.207 20 30 DGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)N(C)C ZINC000264535126 432655268 /nfs/dbraw/zinc/65/52/68/432655268.db2.gz KZEAGSBBWGUWEK-CHWSQXEVSA-N 0 3 320.462 3.010 20 30 DGEDHN C=C(C)CN(CC)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000159009339 432666498 /nfs/dbraw/zinc/66/64/98/432666498.db2.gz QYDSFCYTFNODFB-UHFFFAOYSA-N 0 3 301.390 3.355 20 30 DGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000177856993 432667522 /nfs/dbraw/zinc/66/75/22/432667522.db2.gz DNRHUKOVEOTBLQ-KXBFYZLASA-N 0 3 323.415 3.450 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1ccc(C#N)s1 ZINC000227632922 432713458 /nfs/dbraw/zinc/71/34/58/432713458.db2.gz DCVZEEVAYYFTHE-ZIAGYGMSSA-N 0 3 321.446 3.155 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CCNCc1ccc(C#N)o1 ZINC000227641402 432713896 /nfs/dbraw/zinc/71/38/96/432713896.db2.gz YQEDEBCOGDIMHB-CYBMUJFWSA-N 0 3 319.405 3.030 20 30 DGEDHN C=CCCOCCNCc1cc(OC)c(OC)cc1SC ZINC000229879212 432722965 /nfs/dbraw/zinc/72/29/65/432722965.db2.gz UMJXPKOIIBDSAI-UHFFFAOYSA-N 0 3 311.447 3.108 20 30 DGEDHN COCC1=CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000187619132 432672138 /nfs/dbraw/zinc/67/21/38/432672138.db2.gz HSIGUYIUNTYNPL-UHFFFAOYSA-N 0 3 300.402 3.148 20 30 DGEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000274479736 432672265 /nfs/dbraw/zinc/67/22/65/432672265.db2.gz ASYXGGIGAANKGR-UHFFFAOYSA-N 0 3 307.438 3.018 20 30 DGEDHN C=CCCCCCN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000187694496 432678776 /nfs/dbraw/zinc/67/87/76/432678776.db2.gz NJDLODNGAQVIHH-CQSZACIVSA-N 0 3 310.463 3.073 20 30 DGEDHN C=CCC[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)C1CC1 ZINC000178671764 432764447 /nfs/dbraw/zinc/76/44/47/432764447.db2.gz RYPCAYUBVKMQOZ-LBPRGKRZSA-N 0 3 312.335 3.377 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@@H](C)CCC)CC1 ZINC000178727553 432771823 /nfs/dbraw/zinc/77/18/23/432771823.db2.gz LECMXWQXEIAECW-DOTOQJQBSA-N 0 3 307.482 3.247 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccc(C)o2)c([O-])c1 ZINC000265893014 432741682 /nfs/dbraw/zinc/74/16/82/432741682.db2.gz ZRPDACWVTHNHPP-WAKXPGHKSA-N 0 3 316.401 3.292 20 30 DGEDHN CN(CCCOc1ccc(C#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000178491859 432743309 /nfs/dbraw/zinc/74/33/09/432743309.db2.gz NQBGRGRGYXRFFT-SFHVURJKSA-N 0 3 324.428 3.070 20 30 DGEDHN COc1ccccc1[C@H](CNc1cccc(C#N)n1)N1CCCC1 ZINC000267232761 432824421 /nfs/dbraw/zinc/82/44/21/432824421.db2.gz QITFWTCWWDTYEA-KRWDZBQOSA-N 0 3 322.412 3.211 20 30 DGEDHN C=CCCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000267239226 432826069 /nfs/dbraw/zinc/82/60/69/432826069.db2.gz XJBQRBATAVASHA-UHFFFAOYSA-N 0 3 312.457 3.392 20 30 DGEDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000189485754 432791230 /nfs/dbraw/zinc/79/12/30/432791230.db2.gz WCFLDZBJPDUIRG-OLZOCXBDSA-N 0 3 323.487 3.212 20 30 DGEDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000276316366 432796519 /nfs/dbraw/zinc/79/65/19/432796519.db2.gz XZVVEKSXHSLDGT-KGLIPLIRSA-N 0 3 312.335 3.254 20 30 DGEDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000276316368 432796550 /nfs/dbraw/zinc/79/65/50/432796550.db2.gz XZVVEKSXHSLDGT-ZIAGYGMSSA-N 0 3 312.335 3.254 20 30 DGEDHN Cc1ccc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000161780846 432797182 /nfs/dbraw/zinc/79/71/82/432797182.db2.gz XOHPBVRBHSDAIH-CQSZACIVSA-N 0 3 310.401 3.174 20 30 DGEDHN N#CCCCOc1cccc(CN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245743640 432860328 /nfs/dbraw/zinc/86/03/28/432860328.db2.gz MIRKXQQAESFIJS-HKUYNNGSSA-N 0 3 314.429 3.370 20 30 DGEDHN C[C@H]1CN(CCCNc2ccc(C#N)c(Cl)c2)CCCO1 ZINC000277638426 432866110 /nfs/dbraw/zinc/86/61/10/432866110.db2.gz NJTJJKLSDRGGKP-ZDUSSCGKSA-N 0 3 307.825 3.124 20 30 DGEDHN CCN1CCC(NC(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000329990774 432886639 /nfs/dbraw/zinc/88/66/39/432886639.db2.gz JGOIZEXYGLZIDC-UHFFFAOYSA-N 0 3 321.465 3.353 20 30 DGEDHN Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000330008936 432887044 /nfs/dbraw/zinc/88/70/44/432887044.db2.gz HACIUCDVQXZWTI-QWHCGFSZSA-N 0 3 319.449 3.361 20 30 DGEDHN Cc1ncoc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000329997225 432887682 /nfs/dbraw/zinc/88/76/82/432887682.db2.gz QDGMTBPEXNYYGI-UHFFFAOYSA-N 0 3 323.462 3.039 20 30 DGEDHN CN(C)C1(CNC(=O)C2CCC(NC(=O)C3CC3)CC2)CCC1 ZINC000330096653 432893276 /nfs/dbraw/zinc/89/32/76/432893276.db2.gz XUIBQJHSQQYINN-UHFFFAOYSA-N 0 3 321.465 3.353 20 30 DGEDHN C#CCCOc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000288494676 432893739 /nfs/dbraw/zinc/89/37/39/432893739.db2.gz HLXHLLCVSKQRBR-OXJNMPFZSA-N 0 3 309.409 3.300 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000245548660 432843461 /nfs/dbraw/zinc/84/34/61/432843461.db2.gz YCRZFCIMVUWWEU-GDBMZVCRSA-N 0 3 310.401 3.080 20 30 DGEDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000331158512 432934024 /nfs/dbraw/zinc/93/40/24/432934024.db2.gz DSUXGSJGPPCZRN-JSGCOSHPSA-N 0 3 305.447 3.343 20 30 DGEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000331295495 432938335 /nfs/dbraw/zinc/93/83/35/432938335.db2.gz RZRIHUUOLIXFPG-WWMYMODYSA-N 0 3 304.459 3.036 20 30 DGEDHN C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000279157240 432940842 /nfs/dbraw/zinc/94/08/42/432940842.db2.gz CHYGKOBBQGVDLJ-FUHWJXTLSA-N 0 3 315.461 3.305 20 30 DGEDHN C[C@H](Cc1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279182816 432943399 /nfs/dbraw/zinc/94/33/99/432943399.db2.gz BQMVCAGNWYWYQV-CJNGLKHVSA-N 0 3 323.421 3.049 20 30 DGEDHN CCc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000279264902 432950892 /nfs/dbraw/zinc/95/08/92/432950892.db2.gz INKROQQNQXCEKA-OAHLLOKOSA-N 0 3 323.421 3.181 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288788525 432898020 /nfs/dbraw/zinc/89/80/20/432898020.db2.gz KWPHEBZJGMNTRR-HXUWFJFHSA-N 0 3 324.399 3.124 20 30 DGEDHN N#Cc1ccccc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278850459 432908065 /nfs/dbraw/zinc/90/80/65/432908065.db2.gz KFNFQRUSWBVPFE-UHFFFAOYSA-N 0 3 320.440 3.471 20 30 DGEDHN C[C@H]1CCCN(CCNC(=O)c2cc(Cl)cc(F)c2N)C1 ZINC000330441597 432910584 /nfs/dbraw/zinc/91/05/84/432910584.db2.gz DQCATGIWDPVJIP-JTQLQIEISA-N 0 3 313.804 3.098 20 30 DGEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2nc(C)oc2C)C1 ZINC000330490716 432912327 /nfs/dbraw/zinc/91/23/27/432912327.db2.gz NXCVIQCRBAGYPU-AWEZNQCLSA-N 0 3 307.438 3.497 20 30 DGEDHN C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N1CCC[C@@H](C)C1 ZINC000330538984 432915866 /nfs/dbraw/zinc/91/58/66/432915866.db2.gz UPOWGVCBWVHTDL-KGLIPLIRSA-N 0 3 306.454 3.063 20 30 DGEDHN C=C[C@@H](CO)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000289559924 432969241 /nfs/dbraw/zinc/96/92/41/432969241.db2.gz AHYAUUHFJRDPIA-HZMBPMFUSA-N 0 3 306.406 3.455 20 30 DGEDHN C=C[C@H](CO)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000289835113 432976821 /nfs/dbraw/zinc/97/68/21/432976821.db2.gz POUPUMLPESNDBK-ZIAGYGMSSA-N 0 3 318.417 3.463 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CCCC2)cc1 ZINC000279753289 432991004 /nfs/dbraw/zinc/99/10/04/432991004.db2.gz QLRZCVQQNHGBHO-GOSISDBHSA-N 0 3 309.413 3.327 20 30 DGEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000332284488 432994549 /nfs/dbraw/zinc/99/45/49/432994549.db2.gz DYHSCISNGLXDCA-RVKKMQEKSA-N 0 3 309.413 3.135 20 30 DGEDHN CN(CCOc1ccccc1C#N)CCN(C)c1ccccc1 ZINC000341225597 432997704 /nfs/dbraw/zinc/99/77/04/432997704.db2.gz UGGPBCBPQNNPFK-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000297547230 432999412 /nfs/dbraw/zinc/99/94/12/432999412.db2.gz CYYMWBJFVMQFTI-INIZCTEOSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280220881 433016969 /nfs/dbraw/zinc/01/69/69/433016969.db2.gz IXSYWYDQLDKEOR-CHWSQXEVSA-N 0 3 315.866 3.022 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)C2(CCC2)C1 ZINC000332802145 433018702 /nfs/dbraw/zinc/01/87/02/433018702.db2.gz XXIUONFUQCHMBZ-HOTGVXAUSA-N 0 3 317.477 3.230 20 30 DGEDHN CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280253836 433024221 /nfs/dbraw/zinc/02/42/21/433024221.db2.gz CCCUPYFUIZZQRB-MAUKXSAKSA-N 0 3 309.413 3.279 20 30 DGEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000280348936 433038165 /nfs/dbraw/zinc/03/81/65/433038165.db2.gz IFHJLHLZMZGRHR-KNCCTNLNSA-N 0 3 309.413 3.181 20 30 DGEDHN COc1ccc([C@H](CNc2cccnc2C#N)N2CCCC2)cc1 ZINC000290457108 433057486 /nfs/dbraw/zinc/05/74/86/433057486.db2.gz DXWSKTTZPZCOCC-IBGZPJMESA-N 0 3 322.412 3.211 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000360620012 289251428 /nfs/dbraw/zinc/25/14/28/289251428.db2.gz MORJQIBHLRIDSX-JKSUJKDBSA-N 0 3 305.466 3.039 20 30 DGEDHN C[C@H]1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000280532411 433074357 /nfs/dbraw/zinc/07/43/57/433074357.db2.gz SMYKBUBXDIHMCW-CKEIUWERSA-N 0 3 309.413 3.181 20 30 DGEDHN C=CCC[C@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425064339 433089945 /nfs/dbraw/zinc/08/99/45/433089945.db2.gz HKMLZNNMUYXISG-GBESFXJTSA-N 0 3 312.457 3.289 20 30 DGEDHN N#Cc1cccc(CCNCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000341495163 433094040 /nfs/dbraw/zinc/09/40/40/433094040.db2.gz XYVWFLUXLNPZRV-INIZCTEOSA-N 0 3 313.426 3.199 20 30 DGEDHN C=CCCC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373450449 433154162 /nfs/dbraw/zinc/15/41/62/433154162.db2.gz ZBQGHIPUQZCHMU-IUODEOHRSA-N 0 3 311.422 3.379 20 30 DGEDHN CCC[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000341551785 433125273 /nfs/dbraw/zinc/12/52/73/433125273.db2.gz GDJUSBVYHUUUOG-WMZOPIPTSA-N 0 3 311.429 3.176 20 30 DGEDHN CN(C)CCN(Cc1ccccc1)c1ncc2c(c1C#N)CCC2 ZINC000425239704 433130098 /nfs/dbraw/zinc/13/00/98/433130098.db2.gz OCJMQVMEPNKBTK-UHFFFAOYSA-N 0 3 320.440 3.010 20 30 DGEDHN CC[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000425124531 433104027 /nfs/dbraw/zinc/10/40/27/433104027.db2.gz FMYUHOGQNFZDEO-PBHICJAKSA-N 0 3 301.434 3.198 20 30 DGEDHN CC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000425124532 433104660 /nfs/dbraw/zinc/10/46/60/433104660.db2.gz FMYUHOGQNFZDEO-RHSMWYFYSA-N 0 3 301.434 3.198 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2sc(Br)cc21 ZINC000453345377 433108811 /nfs/dbraw/zinc/10/88/11/433108811.db2.gz FYKZEAYNTRFIIU-AXFHLTTASA-N 0 3 314.248 3.431 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(NC)ccc2Cl)CC1 ZINC000425163246 433114374 /nfs/dbraw/zinc/11/43/74/433114374.db2.gz CDDQNIQPRVGWJM-UHFFFAOYSA-N 0 3 321.852 3.152 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2nnc(C)s2)c([O-])c1 ZINC000290613770 433117999 /nfs/dbraw/zinc/11/79/99/433117999.db2.gz SSOWMJRSVAKLIE-GZTJUZNOSA-N 0 3 318.446 3.060 20 30 DGEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000280641458 433119799 /nfs/dbraw/zinc/11/97/99/433119799.db2.gz UZXWXFXPHYVIIH-SFHVURJKSA-N 0 3 323.396 3.027 20 30 DGEDHN CC[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(C#N)cc1 ZINC000373921555 433169681 /nfs/dbraw/zinc/16/96/81/433169681.db2.gz INIDBBSTLPCDIP-SFHVURJKSA-N 0 3 317.396 3.380 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000374412669 433187931 /nfs/dbraw/zinc/18/79/31/433187931.db2.gz VHWLVMSDOGQCPN-JKSUJKDBSA-N 0 3 323.358 3.415 20 30 DGEDHN COc1cc(NC2CCN([C@@H](C)CCC#N)CC2)cc(OC)c1 ZINC000298631357 433199382 /nfs/dbraw/zinc/19/93/82/433199382.db2.gz ORRRCCFPVVAZAB-AWEZNQCLSA-N 0 3 317.433 3.272 20 30 DGEDHN CCN(Cc1ccc(OC)c(OCCCC#N)c1)C[C@@H](C)OC ZINC000291087989 433221977 /nfs/dbraw/zinc/22/19/77/433221977.db2.gz OVMXGXGEKTYGCS-OAHLLOKOSA-N 0 3 320.433 3.235 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1sc(C)cc1Br ZINC000453600663 433230487 /nfs/dbraw/zinc/23/04/87/433230487.db2.gz QPVZTMXNYCOPGV-MNOVXSKESA-N 0 3 302.237 3.252 20 30 DGEDHN C=C(C)COc1cc(CNC[C@@H]2CC[C@H](C)O2)ccc1OC ZINC000453625904 433249424 /nfs/dbraw/zinc/24/94/24/433249424.db2.gz FMSPEPWQJICBCH-HOCLYGCPSA-N 0 3 305.418 3.307 20 30 DGEDHN Cn1cc(CN2CCC(Cc3ccccc3F)CC2)cc1C#N ZINC000361573042 433254169 /nfs/dbraw/zinc/25/41/69/433254169.db2.gz WTEGALQRXAPKAD-UHFFFAOYSA-N 0 3 311.404 3.491 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc(-c2ccccn2)nc1 ZINC000425469785 433258192 /nfs/dbraw/zinc/25/81/92/433258192.db2.gz FENMAWURSAJBFZ-UHFFFAOYSA-N 0 3 310.445 3.083 20 30 DGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)C1 ZINC000281576338 433315206 /nfs/dbraw/zinc/31/52/06/433315206.db2.gz ZLLSOZDSQMLYTF-JXIYXGQPSA-N 0 3 316.420 3.459 20 30 DGEDHN COc1cc(OC)c(CNCC2CCC(C#N)CC2)c(OC)c1 ZINC000281585524 433315441 /nfs/dbraw/zinc/31/54/41/433315441.db2.gz DRIANLTZCDFJIY-UHFFFAOYSA-N 0 3 318.417 3.132 20 30 DGEDHN Cc1noc(C2(C)CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000374756379 433272806 /nfs/dbraw/zinc/27/28/06/433272806.db2.gz ZJQSCFXKYHLYDJ-CYBMUJFWSA-N 0 3 310.401 3.364 20 30 DGEDHN C=C(C)[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000291578831 433274436 /nfs/dbraw/zinc/27/44/36/433274436.db2.gz BZWHAWOMHULGMQ-SFHVURJKSA-N 0 3 322.399 3.430 20 30 DGEDHN C=CCOc1ccc(CN2CCCO[C@H](CC)C2)cc1OC ZINC000281317836 433282238 /nfs/dbraw/zinc/28/22/38/433282238.db2.gz QYONELLGNBRYLV-MRXNPFEDSA-N 0 3 305.418 3.261 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCC(F)(F)C(F)F ZINC000425536892 433287631 /nfs/dbraw/zinc/28/76/31/433287631.db2.gz PODAEDZTTRRLCX-NSHDSACASA-N 0 3 318.314 3.468 20 30 DGEDHN C=CC[C@H]1N(C(=O)NCC2(N(C)C)CCC2)CCCC1(C)C ZINC000447835396 433294993 /nfs/dbraw/zinc/29/49/93/433294993.db2.gz TUPCEFOLEFHCRU-OAHLLOKOSA-N 0 3 307.482 3.247 20 30 DGEDHN Cc1nc(NC2CCN(CCc3ccccc3)CC2)ccc1C#N ZINC000291652354 433299838 /nfs/dbraw/zinc/29/98/38/433299838.db2.gz NWHHIXWUIMNZDO-UHFFFAOYSA-N 0 3 320.440 3.381 20 30 DGEDHN C[C@@H]1CC[C@H](N(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000447877614 433309893 /nfs/dbraw/zinc/30/98/93/433309893.db2.gz IGKKJYQBLNZLMH-JLSDUUJJSA-N 0 3 311.429 3.174 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000454261575 433347883 /nfs/dbraw/zinc/34/78/83/433347883.db2.gz MIBHGMMDKYOOQO-HNNXBMFYSA-N 0 3 309.479 3.396 20 30 DGEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)OCC1CC1 ZINC000414015484 433350457 /nfs/dbraw/zinc/35/04/57/433350457.db2.gz YJZWXFPTBYHRRX-KRWDZBQOSA-N 0 3 314.429 3.080 20 30 DGEDHN [O-]c1c(O)ccc(/C=N/C[C@H]2CCC[N@@H+]2C2CCCCC2)c1O ZINC000281698090 433350975 /nfs/dbraw/zinc/35/09/75/433350975.db2.gz GYTVASOBXYKNKK-SKCQWOFPSA-N 0 3 318.417 3.019 20 30 DGEDHN [O-]c1c(O)ccc(/C=N/C[C@H]2CCC[N@H+]2C2CCCCC2)c1O ZINC000281698090 433350987 /nfs/dbraw/zinc/35/09/87/433350987.db2.gz GYTVASOBXYKNKK-SKCQWOFPSA-N 0 3 318.417 3.019 20 30 DGEDHN N#CCOc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281711732 433353981 /nfs/dbraw/zinc/35/39/81/433353981.db2.gz UALDHGIUBQTZAG-GOSISDBHSA-N 0 3 311.360 3.364 20 30 DGEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2(CO)CC2)cc1 ZINC000341935729 433367561 /nfs/dbraw/zinc/36/75/61/433367561.db2.gz KRMPELGRFPFDIN-UHFFFAOYSA-N 0 3 306.409 3.333 20 30 DGEDHN Cc1nnc(SC[C@H]2CCCCN2C(C)C)c(C#N)c1C ZINC000339115960 433369594 /nfs/dbraw/zinc/36/95/94/433369594.db2.gz VZZZWKQBJNAWCT-CQSZACIVSA-N 0 3 304.463 3.320 20 30 DGEDHN Cc1nc(NC(=O)C(C)C(F)(F)F)sc1SCC#N ZINC000361680656 433337485 /nfs/dbraw/zinc/33/74/85/433337485.db2.gz CWCWYPVEJHIINN-RXMQYKEDSA-N 0 3 309.338 3.204 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCC#N ZINC000291928370 433399039 /nfs/dbraw/zinc/39/90/39/433399039.db2.gz OEGLTMPBFQBSIC-QGZVFWFLSA-N 0 3 313.445 3.097 20 30 DGEDHN CC#CCCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000291976254 433412415 /nfs/dbraw/zinc/41/24/15/433412415.db2.gz VZDFJUBNUWJZBQ-IBGZPJMESA-N 0 3 301.430 3.244 20 30 DGEDHN Fc1ccc(C#CCN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000448515383 433415029 /nfs/dbraw/zinc/41/50/29/433415029.db2.gz PXVPQSPXCHGOAH-UHFFFAOYSA-N 0 3 322.427 3.385 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000375297186 433419340 /nfs/dbraw/zinc/41/93/40/433419340.db2.gz IIBQTQNHCZCATD-DNVCBOLYSA-N 0 3 314.429 3.368 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000454416880 433420064 /nfs/dbraw/zinc/42/00/64/433420064.db2.gz YGBMUDBNBJNQLH-OAHLLOKOSA-N 0 3 321.490 3.226 20 30 DGEDHN COCCOc1ccc([C@H](C)NCC(C)(C)CC#N)cc1OC ZINC000414163431 433433890 /nfs/dbraw/zinc/43/38/90/433433890.db2.gz IPORZIUCIAZNIR-AWEZNQCLSA-N 0 3 320.433 3.311 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000361891629 433437016 /nfs/dbraw/zinc/43/70/16/433437016.db2.gz XRXJNLRJPHTBON-CQSZACIVSA-N 0 3 304.459 3.131 20 30 DGEDHN N#Cc1nc(N2CCN(CC3CCCCC3)CC2)ccc1Cl ZINC000301161175 433437858 /nfs/dbraw/zinc/43/78/58/433437858.db2.gz FBKMGGPSJVBBHX-UHFFFAOYSA-N 0 3 318.852 3.309 20 30 DGEDHN C=C(C)[C@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)OCC ZINC000339214289 433443559 /nfs/dbraw/zinc/44/35/59/433443559.db2.gz DLAVYETYYWQOFH-ABHNRTSZSA-N 0 3 322.493 3.081 20 30 DGEDHN Cc1ccc([C@@H](CNc2cc(C)nc(C#N)c2)N2CCCC2)o1 ZINC000342091188 433463146 /nfs/dbraw/zinc/46/31/46/433463146.db2.gz FEZLERFCFWPYEL-QGZVFWFLSA-N 0 3 310.401 3.412 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(C)c(C)c2)CC1 ZINC000454550977 433476013 /nfs/dbraw/zinc/47/60/13/433476013.db2.gz RXUIFTGOTASSPQ-UHFFFAOYSA-N 0 3 315.461 3.095 20 30 DGEDHN CC[C@](C)(C#N)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000375644902 433516097 /nfs/dbraw/zinc/51/60/97/433516097.db2.gz YLLQYBVKWYTLQF-GOSISDBHSA-N 0 3 305.466 3.041 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000362087845 433522686 /nfs/dbraw/zinc/52/26/86/433522686.db2.gz SWZTVFLPLKTGGC-SFHVURJKSA-N 0 3 323.440 3.202 20 30 DGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000448697566 433499644 /nfs/dbraw/zinc/49/96/44/433499644.db2.gz BQNJHBDLUSJBBY-UHFFFAOYSA-N 0 3 322.412 3.433 20 30 DGEDHN CCN1CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455711571 433549737 /nfs/dbraw/zinc/54/97/37/433549737.db2.gz ZGIRLLXIOGKOKW-CYBMUJFWSA-N 0 3 320.824 3.012 20 30 DGEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCCN1C ZINC000455734650 433555644 /nfs/dbraw/zinc/55/56/44/433555644.db2.gz PHRIIYIYSKASBL-RISCZKNCSA-N 0 3 320.824 3.010 20 30 DGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292375380 433560425 /nfs/dbraw/zinc/56/04/25/433560425.db2.gz YUZKOGQZMJCFQC-RDTXWAMCSA-N 0 3 318.380 3.039 20 30 DGEDHN C=CCOCCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000292752634 433591914 /nfs/dbraw/zinc/59/19/14/433591914.db2.gz IEVONPVPANRUMP-KRWDZBQOSA-N 0 3 301.386 3.018 20 30 DGEDHN CCc1nnc(N[C@@H](C)CN2CCC[C@@H](C)C2)c(C#N)c1CC ZINC000301622993 433646532 /nfs/dbraw/zinc/64/65/32/433646532.db2.gz OHYSMLBJEDMDEQ-KGLIPLIRSA-N 0 3 315.465 3.005 20 30 DGEDHN CN(c1ccc(C#N)nc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301526348 433595719 /nfs/dbraw/zinc/59/57/19/433595719.db2.gz GCPIALSJFGJCPB-LJQANCHMSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCC1(F)F ZINC000426785819 433596518 /nfs/dbraw/zinc/59/65/18/433596518.db2.gz RGACTFXWADMPJE-UKRRQHHQSA-N 0 3 306.356 3.263 20 30 DGEDHN C=C(CC)CN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000426788873 433602279 /nfs/dbraw/zinc/60/22/79/433602279.db2.gz PXYYAHGDAIEALV-HNNXBMFYSA-N 0 3 322.474 3.186 20 30 DGEDHN OC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000292975279 433604324 /nfs/dbraw/zinc/60/43/24/433604324.db2.gz AXKRAFQOPNFREH-OAHLLOKOSA-N 0 3 311.347 3.151 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC000448924621 433614441 /nfs/dbraw/zinc/61/44/41/433614441.db2.gz YVAIIYAWQVZXDS-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN COc1cc(N2CCN(CCCC(C)(C)C#N)CC2)ccc1F ZINC000282732818 433625357 /nfs/dbraw/zinc/62/53/57/433625357.db2.gz IOZQUYJFIJWSGC-UHFFFAOYSA-N 0 3 319.424 3.286 20 30 DGEDHN COCCN(C)CC[C@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000426899404 433626257 /nfs/dbraw/zinc/62/62/57/433626257.db2.gz TTYCGJQZYWXDBY-IBGZPJMESA-N 0 3 324.428 3.075 20 30 DGEDHN COc1ccc(CN[C@H]2CS[C@H](C)C2)cc1OCCCC#N ZINC000414495455 433660844 /nfs/dbraw/zinc/66/08/44/433660844.db2.gz BOVKUENIUKRRRD-UKRRQHHQSA-N 0 3 320.458 3.361 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000362402302 433698727 /nfs/dbraw/zinc/69/87/27/433698727.db2.gz LBQWQFVNLILGDE-ZFWWWQNUSA-N 0 3 304.459 3.177 20 30 DGEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000362402299 433698886 /nfs/dbraw/zinc/69/88/86/433698886.db2.gz LBQWQFVNLILGDE-DZGCQCFKSA-N 0 3 304.459 3.177 20 30 DGEDHN C=CCN1CCC(N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449121298 433726824 /nfs/dbraw/zinc/72/68/24/433726824.db2.gz HDHLWMVVUPYWPG-AWEZNQCLSA-N 0 3 310.363 3.331 20 30 DGEDHN CSc1ccc([C@H](CNCc2ccc(C#N)o2)N(C)C)cc1 ZINC000293407723 433729420 /nfs/dbraw/zinc/72/94/20/433729420.db2.gz MEUDAFXOBIXWMJ-KRWDZBQOSA-N 0 3 315.442 3.266 20 30 DGEDHN CC[C@@](CNCc1cccc(C#N)c1)(C(=O)OC)c1ccccc1 ZINC000414586480 433737022 /nfs/dbraw/zinc/73/70/22/433737022.db2.gz LKFPCRNWTSHEHE-FQEVSTJZSA-N 0 3 322.408 3.169 20 30 DGEDHN N#Cc1cccc(CN2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293436274 433739260 /nfs/dbraw/zinc/73/92/60/433739260.db2.gz UTZIYUODMCXDLG-UHFFFAOYSA-N 0 3 306.409 3.084 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1Cl)C1(CO)CCC1 ZINC000339732212 433749756 /nfs/dbraw/zinc/74/97/56/433749756.db2.gz ZJBBFEFWNFRLPG-MRXNPFEDSA-N 0 3 306.837 3.488 20 30 DGEDHN Cc1ccccc1CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351889406 433771188 /nfs/dbraw/zinc/77/11/88/433771188.db2.gz KZVORBCEQLLJEO-LJQANCHMSA-N 0 3 319.408 3.152 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000429792101 433785355 /nfs/dbraw/zinc/78/53/55/433785355.db2.gz UDIPYVRZGWXFHF-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN CCC[C@@H]1CN(c2cc(Cl)ccc2C#N)CCN1CCOC ZINC000301911476 433791663 /nfs/dbraw/zinc/79/16/63/433791663.db2.gz GMIRDMNKDNMJOK-MRXNPFEDSA-N 0 3 321.852 3.149 20 30 DGEDHN CC[C@@H](C)N[C@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000343265517 433794364 /nfs/dbraw/zinc/79/43/64/433794364.db2.gz NXKKQEQCAIEOLK-DGCLKSJQSA-N 0 3 318.808 3.741 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 ZINC000283922729 433801806 /nfs/dbraw/zinc/80/18/06/433801806.db2.gz ARECXBVCFNNROE-CYBMUJFWSA-N 0 3 308.447 3.071 20 30 DGEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)cc(C)n1 ZINC000421914042 433804759 /nfs/dbraw/zinc/80/47/59/433804759.db2.gz FXCOXJINZVQJNM-SFHVURJKSA-N 0 3 307.397 3.087 20 30 DGEDHN COCC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000456866104 433874009 /nfs/dbraw/zinc/87/40/09/433874009.db2.gz HMTMHOIJGXGJQK-QGZVFWFLSA-N 0 3 314.429 3.082 20 30 DGEDHN C=CCC1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CCCC1 ZINC000449850593 433834152 /nfs/dbraw/zinc/83/41/52/433834152.db2.gz SAZSAPODCUIHOD-UHFFFAOYSA-N 0 3 322.493 3.129 20 30 DGEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)[C@@H]1[C@@H]1CCCO1 ZINC000351984398 433836292 /nfs/dbraw/zinc/83/62/92/433836292.db2.gz XOZSIOCDBMUPST-ZWKOTPCHSA-N 0 3 314.429 3.217 20 30 DGEDHN C#CCC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376956356 433840177 /nfs/dbraw/zinc/84/01/77/433840177.db2.gz RKURONDFFBJBKP-GOSISDBHSA-N 0 3 312.457 3.064 20 30 DGEDHN N#Cc1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000302795348 433864389 /nfs/dbraw/zinc/86/43/89/433864389.db2.gz OOIRDYZJCSYYSY-FQEVSTJZSA-N 0 3 321.424 3.261 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000302809357 433870116 /nfs/dbraw/zinc/87/01/16/433870116.db2.gz KCVULTHEDYSCBI-BBWFWOEESA-N 0 3 313.445 3.300 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1c(C#N)cccc1C#N ZINC000302887069 433898325 /nfs/dbraw/zinc/89/83/25/433898325.db2.gz NNWGNTLCLXOFTP-OAHLLOKOSA-N 0 3 304.397 3.362 20 30 DGEDHN CN(CCNc1ccc(C#N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000357181919 433898357 /nfs/dbraw/zinc/89/83/57/433898357.db2.gz DZTZXTZTJIUNRN-UHFFFAOYSA-N 0 3 310.357 3.010 20 30 DGEDHN C=CCOc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1OC ZINC000284999341 433913791 /nfs/dbraw/zinc/91/37/91/433913791.db2.gz JHKODPKCBFVFNZ-DLBZAZTESA-N 0 3 317.429 3.403 20 30 DGEDHN Cc1cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)ccc1C#N ZINC000362929732 433916234 /nfs/dbraw/zinc/91/62/34/433916234.db2.gz HBAYDGVHNOAFFC-UHFFFAOYSA-N 0 3 319.408 3.130 20 30 DGEDHN COc1ccc(CN(C)CCCOc2ccccc2)cc1C#N ZINC000340127386 433933635 /nfs/dbraw/zinc/93/36/35/433933635.db2.gz BCTXHXSIMFBFAD-UHFFFAOYSA-N 0 3 310.397 3.468 20 30 DGEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000357356794 433969134 /nfs/dbraw/zinc/96/91/34/433969134.db2.gz QFAXEWBUENLKLD-PXAZEXFGSA-N 0 3 316.426 3.494 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)[C@@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457089200 433981077 /nfs/dbraw/zinc/98/10/77/433981077.db2.gz LBQOAZPKXPDUIQ-FUHWJXTLSA-N 0 3 300.446 3.287 20 30 DGEDHN COc1ccc(CN(C)CCCC(=O)OC(C)(C)C)cc1C#N ZINC000340194871 433981620 /nfs/dbraw/zinc/98/16/20/433981620.db2.gz NREYIWQNNAIWRP-UHFFFAOYSA-N 0 3 318.417 3.121 20 30 DGEDHN CC(C(=O)Nc1cccc(C#N)c1Br)C(F)(F)F ZINC000416077650 434008913 /nfs/dbraw/zinc/00/89/13/434008913.db2.gz JXFALTMAGLOKOF-LURJTMIESA-N 0 3 321.096 3.458 20 30 DGEDHN CSc1ccc([C@@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000294223650 434046236 /nfs/dbraw/zinc/04/62/36/434046236.db2.gz VERDUAKKXHZLIP-QGZVFWFLSA-N 0 3 312.442 3.390 20 30 DGEDHN C[C@@H]1CC[C@H](CN2CCC(Oc3ccc(C#N)cc3F)CC2)O1 ZINC000285577474 434000576 /nfs/dbraw/zinc/00/05/76/434000576.db2.gz UWDFESFMARFGMS-CZUORRHYSA-N 0 3 318.392 3.108 20 30 DGEDHN CNc1ccc(C#N)cc1NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416229471 434063071 /nfs/dbraw/zinc/06/30/71/434063071.db2.gz VKFITRURAARXAZ-GOSISDBHSA-N 0 3 322.412 3.231 20 30 DGEDHN Cn1cc(CNCCn2ccc3cc(Cl)ccc32)cc1C#N ZINC000352922321 434059758 /nfs/dbraw/zinc/05/97/58/434059758.db2.gz PTBFTKSFUXAICW-UHFFFAOYSA-N 0 3 312.804 3.295 20 30 DGEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294488032 434116158 /nfs/dbraw/zinc/11/61/58/434116158.db2.gz QQRRIXXQKZEPMW-DOTOQJQBSA-N 0 3 319.474 3.067 20 30 DGEDHN C=CCN1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450320901 434101928 /nfs/dbraw/zinc/10/19/28/434101928.db2.gz XUPOXHPYQHDZFS-UHFFFAOYSA-N 0 3 312.373 3.205 20 30 DGEDHN N#Cc1csc(CN2CCN(CC3CCCCC3)CC2)c1 ZINC000506340429 294269726 /nfs/dbraw/zinc/26/97/26/294269726.db2.gz LZATUALTADCIQJ-UHFFFAOYSA-N 0 3 303.475 3.318 20 30 DGEDHN CC(C)(CCC#N)CN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000378339171 434146909 /nfs/dbraw/zinc/14/69/09/434146909.db2.gz DROPJDQPEXBKTE-CQSZACIVSA-N 0 3 302.422 3.456 20 30 DGEDHN COc1ccc(CN2CCCCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000286049419 434150686 /nfs/dbraw/zinc/15/06/86/434150686.db2.gz RAWJFHJWGWBQIE-PBHICJAKSA-N 0 3 302.418 3.082 20 30 DGEDHN CN(CCSc1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000357752366 434165961 /nfs/dbraw/zinc/16/59/61/434165961.db2.gz XHGHEZDQWVKADI-UHFFFAOYSA-N 0 3 301.390 3.316 20 30 DGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000340496216 434163673 /nfs/dbraw/zinc/16/36/73/434163673.db2.gz YUHAMHPZPZTTJB-GUTXKFCHSA-N 0 3 317.458 3.097 20 30 DGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286184586 434189328 /nfs/dbraw/zinc/18/93/28/434189328.db2.gz ASAVPHFMHLOFKT-YPMHNXCESA-N 0 3 324.350 3.035 20 30 DGEDHN Cc1ncsc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000353510806 434190807 /nfs/dbraw/zinc/19/08/07/434190807.db2.gz AAVUZOWNKWEGEM-UHFFFAOYSA-N 0 3 312.442 3.082 20 30 DGEDHN CC(C)(CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCCCC1 ZINC000353541229 434210930 /nfs/dbraw/zinc/21/09/30/434210930.db2.gz RFLQEBXLAJYYGW-UHFFFAOYSA-N 0 3 318.396 3.083 20 30 DGEDHN CN(CCCN(C)Cc1cccc(C#N)c1F)Cc1ccco1 ZINC000353542780 434212803 /nfs/dbraw/zinc/21/28/03/434212803.db2.gz LMDGOCGZCNVMAX-UHFFFAOYSA-N 0 3 315.392 3.244 20 30 DGEDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000286283040 434217174 /nfs/dbraw/zinc/21/71/74/434217174.db2.gz UQQXOGKSWGGSTE-DAXOMENPSA-N 0 3 317.458 3.149 20 30 DGEDHN CCc1ccc([C@@H](CO)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000515020015 294532781 /nfs/dbraw/zinc/53/27/81/294532781.db2.gz MLAVHGKHYBSILS-VQTJNVASSA-N 0 3 306.409 3.431 20 30 DGEDHN COc1ccccc1O[C@H]1CCCN(CCCSCC#N)C1 ZINC000286377259 434250443 /nfs/dbraw/zinc/25/04/43/434250443.db2.gz IFUKNKBJKYEQLK-HNNXBMFYSA-N 0 3 320.458 3.185 20 30 DGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000347070473 434261608 /nfs/dbraw/zinc/26/16/08/434261608.db2.gz NWAPQZSEXDDPFB-GXFFZTMASA-N 0 3 307.191 3.272 20 30 DGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000379752336 434264774 /nfs/dbraw/zinc/26/47/74/434264774.db2.gz OKYSZZPKUMSENB-CQSZACIVSA-N 0 3 324.384 3.399 20 30 DGEDHN CC(C)(C#N)CCCCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000364358701 434268513 /nfs/dbraw/zinc/26/85/13/434268513.db2.gz XVIOOXDEXQGLGG-MRXNPFEDSA-N 0 3 305.466 3.183 20 30 DGEDHN CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000286459035 434274564 /nfs/dbraw/zinc/27/45/64/434274564.db2.gz KGIAEOXLBMEPFK-CQSZACIVSA-N 0 3 310.363 3.083 20 30 DGEDHN C=CCC1(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)CCCC1 ZINC000450584203 434282690 /nfs/dbraw/zinc/28/26/90/434282690.db2.gz WJURJGXSODGFJI-CVEARBPZSA-N 0 3 322.518 3.161 20 30 DGEDHN Cc1nc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000388237585 434333219 /nfs/dbraw/zinc/33/32/19/434333219.db2.gz ZEEWKUWFCRTZAC-IBGZPJMESA-N 0 3 320.440 3.363 20 30 DGEDHN C#CCC1(C(=O)N2CCCN(C3CCCC3)CC2)CCCCC1 ZINC000364954178 434284380 /nfs/dbraw/zinc/28/43/80/434284380.db2.gz RSRBVDBGTIFKSJ-UHFFFAOYSA-N 0 3 316.489 3.437 20 30 DGEDHN COc1cccc([C@@H]2C[C@H](C)CN2Cc2cc(C#N)n(C)c2)c1 ZINC000365254017 434292151 /nfs/dbraw/zinc/29/21/51/434292151.db2.gz FQRYHWZWRBZYHA-LIRRHRJNSA-N 0 3 309.413 3.488 20 30 DGEDHN COc1ccc2occ(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)c2c1 ZINC000328697499 434302952 /nfs/dbraw/zinc/30/29/52/434302952.db2.gz HETDKYAMSDCIBQ-VXGBXAGGSA-N 0 3 314.385 3.371 20 30 DGEDHN CC[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1c(C)nn(C)c1C ZINC000328742501 434303687 /nfs/dbraw/zinc/30/36/87/434303687.db2.gz JOQIZCMYPMMTIT-MRXNPFEDSA-N 0 3 318.465 3.319 20 30 DGEDHN CC(C)(NCCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000348402724 434304393 /nfs/dbraw/zinc/30/43/93/434304393.db2.gz HXIHCRXXKOZWPG-UHFFFAOYSA-N 0 3 313.426 3.473 20 30 DGEDHN Cn1cccc1[C@H]1CCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000437638366 434308951 /nfs/dbraw/zinc/30/89/51/434308951.db2.gz SUFCHTSLNNKWSK-GOSISDBHSA-N 0 3 322.412 3.062 20 30 DGEDHN CCN1CCC[C@@H](NC(=O)CCc2nc3ccccc3o2)C1 ZINC000328869804 434319713 /nfs/dbraw/zinc/31/97/13/434319713.db2.gz CZTWMUDLHHDSNV-CYBMUJFWSA-N 0 3 301.390 3.201 20 30 DGEDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccccc1Cl ZINC000328904163 434325010 /nfs/dbraw/zinc/32/50/10/434325010.db2.gz IWXDMXNDAKDVAQ-XJKSGUPXSA-N 0 3 321.808 3.415 20 30 DGEDHN C=CCC[C@H](NCC(C)(C)C1(O)CCOCC1)c1ccco1 ZINC000417351087 434361921 /nfs/dbraw/zinc/36/19/21/434361921.db2.gz BAOUIFONPNZBOU-HNNXBMFYSA-N 0 3 307.434 3.444 20 30 DGEDHN Cc1cc(CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)c(C)s1 ZINC000329216825 434374825 /nfs/dbraw/zinc/37/48/25/434374825.db2.gz PCYUYWDLSVDYTC-MRXNPFEDSA-N 0 3 322.474 3.057 20 30 DGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295501836 434389349 /nfs/dbraw/zinc/38/93/49/434389349.db2.gz HJYDRWHYTOAOMV-GOEBONIOSA-N 0 3 313.445 3.233 20 30 DGEDHN Cc1c([C@H](C)NC(=O)[C@@H]2CCCN2C2CCCC2)cnn1C ZINC000329033686 434343698 /nfs/dbraw/zinc/34/36/98/434343698.db2.gz QOSPHEYLRYOGFF-LRDDRELGSA-N 0 3 304.438 3.153 20 30 DGEDHN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C2CC2)c1 ZINC000295417195 434352233 /nfs/dbraw/zinc/35/22/33/434352233.db2.gz NDXOJGYZZPVCFB-DJJJIMSYSA-N 0 3 311.429 3.023 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000366529898 434444240 /nfs/dbraw/zinc/44/42/40/434444240.db2.gz NPIOLZINSMFMNW-QAPCUYQASA-N 0 3 314.429 3.226 20 30 DGEDHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000359852932 434448373 /nfs/dbraw/zinc/44/83/73/434448373.db2.gz SDJQSGZRQZQJHH-DNVCBOLYSA-N 0 3 321.424 3.081 20 30 DGEDHN N#CC1(NC(=O)CN2CCC[C@@H]2C2CCOCC2)CCCCC1 ZINC000329485045 434422104 /nfs/dbraw/zinc/42/21/04/434422104.db2.gz SNOXQQATJZBDGU-MRXNPFEDSA-N 0 3 319.449 3.060 20 30 DGEDHN C[C@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)cc1F ZINC000423446828 434427414 /nfs/dbraw/zinc/42/74/14/434427414.db2.gz ZEMFBYIDVLZYFS-DJJJIMSYSA-N 0 3 309.388 3.235 20 30 DGEDHN C[C@H](N[C@H]1CCN(C)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359761957 434427732 /nfs/dbraw/zinc/42/77/32/434427732.db2.gz DXPUDHQLYKLHTH-LIRRHRJNSA-N 0 3 319.408 3.107 20 30 DGEDHN Cc1nc(NC[C@H](C)N2CCC[C@@H](C)C2)c(Cl)cc1C#N ZINC000359892389 434448595 /nfs/dbraw/zinc/44/85/95/434448595.db2.gz AHYOKYWIHIDYTA-NEPJUHHUSA-N 0 3 306.841 3.447 20 30 DGEDHN CN(C)CCc1ccccc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000295737405 434432713 /nfs/dbraw/zinc/43/27/13/434432713.db2.gz WJFLGWQLJBVVOI-LJQANCHMSA-N 0 3 311.429 3.203 20 30 DGEDHN C[C@H]1C[C@@H](Nc2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000287815788 434458905 /nfs/dbraw/zinc/45/89/05/434458905.db2.gz KKVCVUNOJHIWQF-YJBOKZPZSA-N 0 3 306.413 3.418 20 30 DGEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329686549 434461268 /nfs/dbraw/zinc/46/12/68/434461268.db2.gz FRRXQQNRKAOWGW-FVQBIDKESA-N 0 3 324.428 3.059 20 30 DGEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329686549 434461279 /nfs/dbraw/zinc/46/12/79/434461279.db2.gz FRRXQQNRKAOWGW-FVQBIDKESA-N 0 3 324.428 3.059 20 30 DGEDHN COc1ccc2c(c1)C[C@H](N[C@@H](C)c1ccc(C#N)cc1)CO2 ZINC000295982196 434462966 /nfs/dbraw/zinc/46/29/66/434462966.db2.gz NGYRDWXFBJULII-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN C[C@@H](C(=O)Nc1ccc(CN(C)C)cc1)c1cccc(C#N)c1 ZINC000359999762 434468426 /nfs/dbraw/zinc/46/84/26/434468426.db2.gz IMHLKKLSJNQPMQ-CQSZACIVSA-N 0 3 307.397 3.362 20 30 DGEDHN CCOC[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000458077979 434469674 /nfs/dbraw/zinc/46/96/74/434469674.db2.gz JPHLSBLJADJGTJ-QZTJIDSGSA-N 0 3 314.429 3.177 20 30 DGEDHN Cc1nc(C2CC2)oc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000329791387 434479316 /nfs/dbraw/zinc/47/93/16/434479316.db2.gz UMPSWDSKYKMBSM-NWDGAFQWSA-N 0 3 305.422 3.285 20 30 DGEDHN Cc1ncc(NC(=O)C2CCN(C3CC3)CC2)c(C2CC2)n1 ZINC000329802938 434484795 /nfs/dbraw/zinc/48/47/95/434484795.db2.gz KTZALHZJMPJEFL-UHFFFAOYSA-N 0 3 300.406 3.125 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2cccc(F)c2C1 ZINC000458127417 434492880 /nfs/dbraw/zinc/49/28/80/434492880.db2.gz MSDLLQVATJLLJQ-OAHLLOKOSA-N 0 3 308.356 3.440 20 30 DGEDHN CCC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341036179 434501363 /nfs/dbraw/zinc/50/13/63/434501363.db2.gz JGNGNFVXTCVAQP-IBGZPJMESA-N 0 3 321.424 3.305 20 30 DGEDHN Cc1nc(NC[C@H](C)N2CCC[C@H](C)C2)c(Cl)cc1C#N ZINC000359892393 434451382 /nfs/dbraw/zinc/45/13/82/434451382.db2.gz AHYOKYWIHIDYTA-RYUDHWBXSA-N 0 3 306.841 3.447 20 30 DGEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000404748190 434520022 /nfs/dbraw/zinc/52/00/22/434520022.db2.gz GKTXDGHKNLMTKH-UHFFFAOYSA-N 0 3 321.396 3.090 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(C)CCCC[C@H]2C)CC1 ZINC000458322563 434541141 /nfs/dbraw/zinc/54/11/41/434541141.db2.gz OLKHFLNQESIHRG-CRAIPNDOSA-N 0 3 307.482 3.295 20 30 DGEDHN C[C@@H](C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000360175916 434542005 /nfs/dbraw/zinc/54/20/05/434542005.db2.gz PGKPQZXNRWZPIG-OWCLPIDISA-N 0 3 313.445 3.041 20 30 DGEDHN CN(C)CCN(Cc1cc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000348902007 434549489 /nfs/dbraw/zinc/54/94/89/434549489.db2.gz BGTFINWTCSHINV-UHFFFAOYSA-N 0 3 324.453 3.055 20 30 DGEDHN Cc1ccc(O)c(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000368519533 434577658 /nfs/dbraw/zinc/57/76/58/434577658.db2.gz QSFNDRIKWLSQFR-UHFFFAOYSA-N 0 3 307.397 3.153 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@]2(CCSC2)C1 ZINC000451963736 434585058 /nfs/dbraw/zinc/58/50/58/434585058.db2.gz IWFUODACYDOTGP-DOTOQJQBSA-N 0 3 310.507 3.019 20 30 DGEDHN CC(C)[C@@H](NCc1cc(C#N)ccc1F)C1(CO)CCCC1 ZINC000459533615 434596167 /nfs/dbraw/zinc/59/61/67/434596167.db2.gz PJACBGFIPNCKQG-QGZVFWFLSA-N 0 3 304.409 3.364 20 30 DGEDHN CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H](N)CCCC#N ZINC000424083678 434618435 /nfs/dbraw/zinc/61/84/35/434618435.db2.gz DFLMNSMPEVILNA-SFHVURJKSA-N 0 3 309.413 3.209 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000424082188 434618503 /nfs/dbraw/zinc/61/85/03/434618503.db2.gz WEBZIYBWRWHMBF-IBGZPJMESA-N 0 3 321.424 3.237 20 30 DGEDHN CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424092925 434619030 /nfs/dbraw/zinc/61/90/30/434619030.db2.gz QWZZKKCQOAJCJZ-HOTGVXAUSA-N 0 3 319.424 3.440 20 30 DGEDHN CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424093375 434619561 /nfs/dbraw/zinc/61/95/61/434619561.db2.gz ROVKJECQASHYMX-HOTGVXAUSA-N 0 3 301.434 3.301 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000424090112 434620965 /nfs/dbraw/zinc/62/09/65/434620965.db2.gz JZNPWYUMSABJHF-SJORKVTESA-N 0 3 317.408 3.194 20 30 DGEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000424108209 434625004 /nfs/dbraw/zinc/62/50/04/434625004.db2.gz WCOIALKOKPUNAC-DZGCQCFKSA-N 0 3 313.401 3.363 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C)c(C#N)c1C ZINC000459604637 434625900 /nfs/dbraw/zinc/62/59/00/434625900.db2.gz BXZRITNYCZWCRF-DIFFPNOSSA-N 0 3 303.406 3.265 20 30 DGEDHN C[C@H](c1ccccc1Cl)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424107146 434626107 /nfs/dbraw/zinc/62/61/07/434626107.db2.gz YLSCIYPVCJFUNI-MLGOLLRUSA-N 0 3 319.836 3.413 20 30 DGEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000424123213 434627804 /nfs/dbraw/zinc/62/78/04/434627804.db2.gz KKRDPNORGPZHRI-LSDHHAIUSA-N 0 3 307.825 3.174 20 30 DGEDHN CC(C)(CCCc1ccccc1)CNC(=O)[C@H](N)CCCC#N ZINC000424122244 434627879 /nfs/dbraw/zinc/62/78/79/434627879.db2.gz IZJVTFZNKFQEBD-QGZVFWFLSA-N 0 3 315.461 3.173 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000370976424 434628664 /nfs/dbraw/zinc/62/86/64/434628664.db2.gz OYAPYUJLINPPMZ-UKRRQHHQSA-N 0 3 302.418 3.173 20 30 DGEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000424123210 434628915 /nfs/dbraw/zinc/62/89/15/434628915.db2.gz KKRDPNORGPZHRI-CABCVRRESA-N 0 3 307.825 3.174 20 30 DGEDHN CC[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CC[C@@H]1c1ccccc1 ZINC000424122178 434628957 /nfs/dbraw/zinc/62/89/57/434628957.db2.gz JQOACYWKRFICFL-NJAFHUGGSA-N 0 3 313.445 3.050 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000424128694 434630451 /nfs/dbraw/zinc/63/04/51/434630451.db2.gz WYDBVLLFAJYUDC-SJORKVTESA-N 0 3 317.408 3.194 20 30 DGEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1Cl ZINC000439456695 434607680 /nfs/dbraw/zinc/60/76/80/434607680.db2.gz ZGLQSYIXVJCWHI-PBHICJAKSA-N 0 3 320.820 3.423 20 30 DGEDHN CSCCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000439482103 434611966 /nfs/dbraw/zinc/61/19/66/434611966.db2.gz QMEJPIGIQKIACW-UHFFFAOYSA-N 0 3 300.374 3.345 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000424066926 434612412 /nfs/dbraw/zinc/61/24/12/434612412.db2.gz UUBDVMQMEJUASP-OLZOCXBDSA-N 0 3 323.849 3.014 20 30 DGEDHN CCN1CCCC[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371408479 434692654 /nfs/dbraw/zinc/69/26/54/434692654.db2.gz HMCPTBLMJGLIRK-LJQANCHMSA-N 0 3 323.440 3.048 20 30 DGEDHN C=C(C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000452722985 434693035 /nfs/dbraw/zinc/69/30/35/434693035.db2.gz LUVNFOANBSWDBK-MRXNPFEDSA-N 0 3 304.409 3.120 20 30 DGEDHN CCO[C@H]1C[C@@H](NCc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000459649736 434648850 /nfs/dbraw/zinc/64/88/50/434648850.db2.gz RMWWSMYZLBBJFZ-IYBDPMFKSA-N 0 3 318.417 3.035 20 30 DGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000424185357 434649585 /nfs/dbraw/zinc/64/95/85/434649585.db2.gz ZHRAFJTXXBQICG-SFHVURJKSA-N 0 3 323.396 3.225 20 30 DGEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360619856 434651404 /nfs/dbraw/zinc/65/14/04/434651404.db2.gz MORJQIBHLRIDSX-HZPDHXFCSA-N 0 3 305.466 3.039 20 30 DGEDHN CC(C)(C)NC(=O)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360647845 434659955 /nfs/dbraw/zinc/65/99/55/434659955.db2.gz OBFUJDWPHPUEKV-QGZVFWFLSA-N 0 3 313.445 3.220 20 30 DGEDHN CN(CC(C)(C)C#N)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418503331 434666808 /nfs/dbraw/zinc/66/68/08/434666808.db2.gz XRZVNIGSMGODOS-QGZVFWFLSA-N 0 3 324.428 3.031 20 30 DGEDHN CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000410828616 434678333 /nfs/dbraw/zinc/67/83/33/434678333.db2.gz OFJRUTSTLHQDMY-QZTJIDSGSA-N 0 3 313.445 3.049 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)C2(c3ccccc3)CCCC2)nn1 ZINC000424290113 434681721 /nfs/dbraw/zinc/68/17/21/434681721.db2.gz BGSRMILIRJCYSN-INIZCTEOSA-N 0 3 310.445 3.454 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000424297478 434684311 /nfs/dbraw/zinc/68/43/11/434684311.db2.gz QSAKKZPLAMDAHD-OLZOCXBDSA-N 0 3 304.825 3.399 20 30 DGEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2CCc2ccccc2)nn1 ZINC000424300191 434686192 /nfs/dbraw/zinc/68/61/92/434686192.db2.gz XBLKIGJLXTZBLN-IEBWSBKVSA-N 0 3 310.445 3.355 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H]2CCO[C@H]2CC)ccc1OC ZINC000459740826 434687810 /nfs/dbraw/zinc/68/78/10/434687810.db2.gz MGQOVRUBISSJGQ-CVEARBPZSA-N 0 3 305.418 3.307 20 30 DGEDHN COc1cc(CNC[C@@H](C)N(C)c2ccccc2)ccc1C#N ZINC000440819124 434747453 /nfs/dbraw/zinc/74/74/53/434747453.db2.gz VLBSYDJCTQPRFV-OAHLLOKOSA-N 0 3 309.413 3.181 20 30 DGEDHN COc1cc(CNC[C@H](C)Oc2ccc(C)cc2)ccc1C#N ZINC000440819693 434747904 /nfs/dbraw/zinc/74/79/04/434747904.db2.gz JRPDMECUJCJLBV-HNNXBMFYSA-N 0 3 310.397 3.432 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000424581518 434749550 /nfs/dbraw/zinc/74/95/50/434749550.db2.gz HEXAXWPEOYPDTR-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN CCCCNC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411122741 434727562 /nfs/dbraw/zinc/72/75/62/434727562.db2.gz BEOCLMLYQQPVCJ-UHFFFAOYSA-N 0 3 319.493 3.479 20 30 DGEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000360907811 434728936 /nfs/dbraw/zinc/72/89/36/434728936.db2.gz BIZORONCBKHZBK-MRVPVSSYSA-N 0 3 310.184 3.293 20 30 DGEDHN C=CCNC(=O)CN1CCC[C@@H](CCCc2ccccc2)C1 ZINC000441190663 434762588 /nfs/dbraw/zinc/76/25/88/434762588.db2.gz SYZXDWJHGZLUEA-GOSISDBHSA-N 0 3 300.446 3.024 20 30 DGEDHN Cc1ccc(CC(C)(C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000419333066 434773930 /nfs/dbraw/zinc/77/39/30/434773930.db2.gz LGAHRALBXRWLMJ-UHFFFAOYSA-N 0 3 321.424 3.416 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]2c2cccnc2)c1 ZINC000411425076 434778710 /nfs/dbraw/zinc/77/87/10/434778710.db2.gz XDFQVZMWMZZYSY-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCNC1(c2cccc(F)c2)CC1 ZINC000411470931 434787144 /nfs/dbraw/zinc/78/71/44/434787144.db2.gz JPPUXWDJAJHDGN-UHFFFAOYSA-N 0 3 323.371 3.305 20 30 DGEDHN C=CC[C@@H]1N(CC(=O)NC2(C#N)CCCCC2)CCCC1(C)C ZINC000444780376 434790781 /nfs/dbraw/zinc/79/07/81/434790781.db2.gz FAIWSUFQINKHKM-INIZCTEOSA-N 0 3 317.477 3.396 20 30 DGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(SC)cc1 ZINC000411655990 434812414 /nfs/dbraw/zinc/81/24/14/434812414.db2.gz OJPLCIIWJSJWPX-CABCVRRESA-N 0 3 307.459 3.189 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)N(C)C[C@H]2C)ccc1OC ZINC000361166861 434818419 /nfs/dbraw/zinc/81/84/19/434818419.db2.gz OMJXVZOPBZXMOH-HZPDHXFCSA-N 0 3 318.461 3.175 20 30 DGEDHN N#CC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000411742123 434825475 /nfs/dbraw/zinc/82/54/75/434825475.db2.gz BXOYEZVIUAOFNX-UHFFFAOYSA-N 0 3 311.429 3.048 20 30 DGEDHN C[C@@H](CCC#N)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000411813377 434830700 /nfs/dbraw/zinc/83/07/00/434830700.db2.gz AJVWWPUKXRMTAY-STQMWFEESA-N 0 3 304.356 3.360 20 30 DGEDHN Cc1cccc([C@H](C)N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000411875280 434840116 /nfs/dbraw/zinc/84/01/16/434840116.db2.gz PAWVOJPYBQFQFI-KXBFYZLASA-N 0 3 319.408 3.323 20 30 DGEDHN CC(C)(C#N)CCN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412013374 434853836 /nfs/dbraw/zinc/85/38/36/434853836.db2.gz UKAIZHWCPNSORU-KRWDZBQOSA-N 0 3 316.445 3.046 20 30 DGEDHN COCCN(CCOc1ccc(C#N)cc1)CCc1ccccc1 ZINC000521858618 434898041 /nfs/dbraw/zinc/89/80/41/434898041.db2.gz BVLYXAFUIWOEAM-UHFFFAOYSA-N 0 3 324.424 3.128 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462064831 434898371 /nfs/dbraw/zinc/89/83/71/434898371.db2.gz GMDCFSQGVJBMON-QAPCUYQASA-N 0 3 313.445 3.042 20 30 DGEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000492078902 434911005 /nfs/dbraw/zinc/91/10/05/434911005.db2.gz HTNYNQQFFUSMHA-IRXDYDNUSA-N 0 3 301.434 3.039 20 30 DGEDHN N#CC(C(=O)c1cccc(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000574051972 434947199 /nfs/dbraw/zinc/94/71/99/434947199.db2.gz QBPDGIHZOPCSNK-INIZCTEOSA-N 0 3 320.396 3.372 20 30 DGEDHN Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000573793756 434926918 /nfs/dbraw/zinc/92/69/18/434926918.db2.gz VSKPGDWRCKPSIJ-WCQYABFASA-N 0 3 300.431 3.364 20 30 DGEDHN Cn1cc2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cc2n1 ZINC000527963996 435016896 /nfs/dbraw/zinc/01/68/96/435016896.db2.gz SONQPQYAUGAALI-GOSISDBHSA-N 0 3 302.381 3.222 20 30 DGEDHN C=CCCCCCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555591416 434978444 /nfs/dbraw/zinc/97/84/44/434978444.db2.gz LNHFICDXUNEUJT-SFHVURJKSA-N 0 3 300.446 3.166 20 30 DGEDHN CC#CCN(C)CC1(COc2cccc(COC)c2)CCC1 ZINC000555751972 434986441 /nfs/dbraw/zinc/98/64/41/434986441.db2.gz UFWHZBRNTNRHPG-UHFFFAOYSA-N 0 3 301.430 3.337 20 30 DGEDHN N#CCNC(=O)CN(C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000464728959 434995210 /nfs/dbraw/zinc/99/52/10/434995210.db2.gz HMLUPESLKDZPDU-ROUUACIJSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CCNC(=O)CN(CCC)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525126295 435005044 /nfs/dbraw/zinc/00/50/44/435005044.db2.gz WSFFJWIYJBXVOL-IAGOWNOFSA-N 0 3 322.493 3.129 20 30 DGEDHN Cn1cc(CCNC[C@H](C#N)CCC#N)c2ccc(Cl)cc21 ZINC000574954704 435005243 /nfs/dbraw/zinc/00/52/43/435005243.db2.gz BAPWBZKXHGBVRH-ZDUSSCGKSA-N 0 3 314.820 3.407 20 30 DGEDHN CCc1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000527128676 435010145 /nfs/dbraw/zinc/01/01/45/435010145.db2.gz RSSUKGCDOYHUFK-SFHVURJKSA-N 0 3 313.445 3.098 20 30 DGEDHN CCC(CC)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000527377215 435011300 /nfs/dbraw/zinc/01/13/00/435011300.db2.gz NFNJSAXDAFBKQS-GOSISDBHSA-N 0 3 313.445 3.316 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2cccs2)cc1 ZINC000527318267 435012397 /nfs/dbraw/zinc/01/23/97/435012397.db2.gz BYHGULCRJDJWDZ-INIZCTEOSA-N 0 3 323.421 3.051 20 30 DGEDHN C=CCCCC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000577287073 435060159 /nfs/dbraw/zinc/06/01/59/435060159.db2.gz UZAGVGVGTZZZGN-HNNXBMFYSA-N 0 3 308.853 3.458 20 30 DGEDHN N#CCCC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000577494733 435061489 /nfs/dbraw/zinc/06/14/89/435061489.db2.gz BLINCFXGNXGWMX-GOSISDBHSA-N 0 3 309.413 3.301 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1[C@H](C)CC[C@H]1C)C(C)C ZINC000466222857 435066671 /nfs/dbraw/zinc/06/66/71/435066671.db2.gz HCPZWYUGEGMBBL-BRWVUGGUSA-N 0 3 307.482 3.267 20 30 DGEDHN CC(C)C[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000466669865 435086255 /nfs/dbraw/zinc/08/62/55/435086255.db2.gz HUUSBIOSTXDMCY-SFHVURJKSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCc1cc(CN2CC[C@@H](OC(C)C)C2)cc(OC)c1O ZINC000575923315 435053372 /nfs/dbraw/zinc/05/33/72/435053372.db2.gz CYPKMQCFODXLBB-MRXNPFEDSA-N 0 3 305.418 3.129 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000558502804 435094033 /nfs/dbraw/zinc/09/40/33/435094033.db2.gz YYSVULMPNQEXIC-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN CC[C@@H](CO)N(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000467188706 435110431 /nfs/dbraw/zinc/11/04/31/435110431.db2.gz XWUPAJSHNCTHCL-FQEVSTJZSA-N 0 3 311.400 3.450 20 30 DGEDHN C=C(C)CN(CC)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000559031763 435120432 /nfs/dbraw/zinc/12/04/32/435120432.db2.gz PQZYONBGTMLQQI-YOEHRIQHSA-N 0 3 304.409 3.386 20 30 DGEDHN COc1ccc2c(c1)C[C@H](NC1(c3cccc(C#N)c3)CC1)CO2 ZINC000579918106 435192270 /nfs/dbraw/zinc/19/22/70/435192270.db2.gz SYQASDSNUHVLPB-KRWDZBQOSA-N 0 3 320.392 3.149 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000495796719 435205714 /nfs/dbraw/zinc/20/57/14/435205714.db2.gz XVPCWFHZLYLTNO-VKJFTORMSA-N 0 3 319.449 3.012 20 30 DGEDHN C=CCN(CC=C)C(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000533051380 435207115 /nfs/dbraw/zinc/20/71/15/435207115.db2.gz IIUJIYNIWAAUJM-UHFFFAOYSA-N 0 3 316.420 3.385 20 30 DGEDHN CCN(Cc1ccc(C#N)cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000580211678 435214756 /nfs/dbraw/zinc/21/47/56/435214756.db2.gz FTOPOAXIOWCCIC-HXUWFJFHSA-N 0 3 320.440 3.050 20 30 DGEDHN CN(C[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1)C(=O)OC(C)(C)C ZINC000496563744 435225472 /nfs/dbraw/zinc/22/54/72/435225472.db2.gz JANPBMXRHVTHKN-OWCLPIDISA-N 0 3 321.465 3.258 20 30 DGEDHN COC[C@@H](Cc1ccccc1)N(C)CCOc1ccccc1C#N ZINC000475727268 435210441 /nfs/dbraw/zinc/21/04/41/435210441.db2.gz DBSPCDNTKNMEIJ-LJQANCHMSA-N 0 3 324.424 3.127 20 30 DGEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000533425087 435235136 /nfs/dbraw/zinc/23/51/36/435235136.db2.gz LYYWUNMRDUSQKV-CQSZACIVSA-N 0 3 318.417 3.421 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)c3ccccn3)c2)C1 ZINC000580512496 435237275 /nfs/dbraw/zinc/23/72/75/435237275.db2.gz QLKRPHHKCXLKFG-ZBFHGGJFSA-N 0 3 320.396 3.116 20 30 DGEDHN C=CCN1CCC(N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000583599533 435243008 /nfs/dbraw/zinc/24/30/08/435243008.db2.gz JORCIUPEFBDFJQ-LBPRGKRZSA-N 0 3 324.266 3.145 20 30 DGEDHN N#CCCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000496725725 435246487 /nfs/dbraw/zinc/24/64/87/435246487.db2.gz ZRLHPGXBUBFLPS-QGZVFWFLSA-N 0 3 313.401 3.028 20 30 DGEDHN C[C@@H](CCC#N)CN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000639348098 435257675 /nfs/dbraw/zinc/25/76/75/435257675.db2.gz UFSRHJZXRHLERL-HNAYVOBHSA-N 0 3 312.413 3.426 20 30 DGEDHN C[C@@H](N[C@H](C)c1ccc(C2CC2)cc1)C(=O)NC1(C#N)CCC1 ZINC000562826806 435264197 /nfs/dbraw/zinc/26/41/97/435264197.db2.gz XXBJOTNUGHLBER-ZIAGYGMSSA-N 0 3 311.429 3.166 20 30 DGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cccc(CC#N)c2)cc1 ZINC000565148992 435278045 /nfs/dbraw/zinc/27/80/45/435278045.db2.gz ZABQXIFONVPSPP-IBGZPJMESA-N 0 3 321.424 3.306 20 30 DGEDHN CC(C)(CC#N)CNC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000566122112 435284376 /nfs/dbraw/zinc/28/43/76/435284376.db2.gz XWPDZXCSOGNOGR-CYBMUJFWSA-N 0 3 314.351 3.138 20 30 DGEDHN C=C(CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C)c1ccccc1 ZINC000479306942 435328057 /nfs/dbraw/zinc/32/80/57/435328057.db2.gz DDWMIAXBLLZJQN-IAGOWNOFSA-N 0 3 315.461 3.262 20 30 DGEDHN COC(=O)c1cccc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)c1C#N ZINC000535963194 435364256 /nfs/dbraw/zinc/36/42/56/435364256.db2.gz JNHGDGSXUGKEGX-HBUWYVDXSA-N 0 3 312.413 3.498 20 30 DGEDHN CC[C@H](CC#N)NCC1(COc2cccc(COC)c2)CC1 ZINC000568181269 435401827 /nfs/dbraw/zinc/40/18/27/435401827.db2.gz ORFWNQDKLHQUPF-MRXNPFEDSA-N 0 3 302.418 3.274 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2coc3ccc(F)cc23)CC1 ZINC000567939908 435374117 /nfs/dbraw/zinc/37/41/17/435374117.db2.gz DXPRDPKTVSWBPA-UHFFFAOYSA-N 0 3 316.376 3.342 20 30 DGEDHN N#CC1CCC(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000568027702 435381233 /nfs/dbraw/zinc/38/12/33/435381233.db2.gz KRRVLGFGHDSVBH-LEOMRAHMSA-N 0 3 317.477 3.230 20 30 DGEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000513420645 435389661 /nfs/dbraw/zinc/38/96/61/435389661.db2.gz PQJRXYXEZCCGMY-YJBOKZPZSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(Br)ccc1F ZINC000537095160 435423957 /nfs/dbraw/zinc/42/39/57/435423957.db2.gz MKQSNSWOYDFEQQ-WDEREUQCSA-N 0 3 316.214 3.423 20 30 DGEDHN C=C(CNC[C@@H](O)COCc1ccccc1F)c1ccccc1 ZINC000644647313 435475000 /nfs/dbraw/zinc/47/50/00/435475000.db2.gz OGXSVEKFVMYKIQ-GOSISDBHSA-N 0 3 315.388 3.006 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1Br ZINC000537351367 435439824 /nfs/dbraw/zinc/43/98/24/435439824.db2.gz GOZSNAIZERIPMY-JTQLQIEISA-N 0 3 318.642 3.377 20 30 DGEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1Cl ZINC000538813482 435525568 /nfs/dbraw/zinc/52/55/68/435525568.db2.gz SAQIHDPDPJSIKB-GOEBONIOSA-N 0 3 309.837 3.498 20 30 DGEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)[C@H]2CCCC[C@H]12 ZINC000515385296 435482097 /nfs/dbraw/zinc/48/20/97/435482097.db2.gz ZTALUIYAMUKUIM-XYPHTWIQSA-N 0 3 309.417 3.002 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000637620788 435485141 /nfs/dbraw/zinc/48/51/41/435485141.db2.gz HSXFGCWQTCJVJP-HNNXBMFYSA-N 0 3 309.498 3.351 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000637620790 435485498 /nfs/dbraw/zinc/48/54/98/435485498.db2.gz HSXFGCWQTCJVJP-OAHLLOKOSA-N 0 3 309.498 3.351 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000515486636 435485998 /nfs/dbraw/zinc/48/59/98/435485998.db2.gz BVVSXSCPZVPNIQ-BBRMVZONSA-N 0 3 317.389 3.103 20 30 DGEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000538216666 435487790 /nfs/dbraw/zinc/48/77/90/435487790.db2.gz NJTVYWVQZNZPHK-FCEWJHQRSA-N 0 3 315.461 3.397 20 30 DGEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000538216665 435487956 /nfs/dbraw/zinc/48/79/56/435487956.db2.gz NJTVYWVQZNZPHK-BXWFABGCSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000483109694 435495025 /nfs/dbraw/zinc/49/50/25/435495025.db2.gz KENIVPHGEOSRAB-WBVHZDCISA-N 0 3 318.436 3.428 20 30 DGEDHN COCCN(CC#Cc1ccc(F)cc1)C[C@@H]1CC=CCC1 ZINC000485100000 435559843 /nfs/dbraw/zinc/55/98/43/435559843.db2.gz AOFDSURGBAPYOP-GOSISDBHSA-N 0 3 301.405 3.482 20 30 DGEDHN C[C@@H](NCCOc1ccc(Cl)cn1)c1ccc(C#N)c(F)c1 ZINC000539606754 435560726 /nfs/dbraw/zinc/56/07/26/435560726.db2.gz OOQKYSAEDPLNDY-LLVKDONJSA-N 0 3 319.767 3.475 20 30 DGEDHN C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000517047958 435572713 /nfs/dbraw/zinc/57/27/13/435572713.db2.gz FGXJGPTUEDAGPW-UGSOOPFHSA-N 0 3 314.816 3.466 20 30 DGEDHN C=CCN(C[C@H](O)COc1ccc(Cl)cc1Cl)C1CC1 ZINC000540055710 435586009 /nfs/dbraw/zinc/58/60/09/435586009.db2.gz KMQSHWDPCCFUDZ-ZDUSSCGKSA-N 0 3 316.228 3.384 20 30 DGEDHN CCCCC[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000486804048 435615366 /nfs/dbraw/zinc/61/53/66/435615366.db2.gz QYNYLFOSGLDTMG-MRXNPFEDSA-N 0 3 305.466 3.374 20 30 DGEDHN CC(C)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C ZINC000487099033 435624058 /nfs/dbraw/zinc/62/40/58/435624058.db2.gz TVTJZQRLCCMXNX-HNNXBMFYSA-N 0 3 311.351 3.353 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc3ccccc3n2)CC1 ZINC000640522161 435596791 /nfs/dbraw/zinc/59/67/91/435596791.db2.gz GYWXENKFEAOMCH-UHFFFAOYSA-N 0 3 310.401 3.007 20 30 DGEDHN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN(C2CCC2)C1 ZINC000488753511 435643343 /nfs/dbraw/zinc/64/33/43/435643343.db2.gz ZFTGBPNVZGCMJW-HNNXBMFYSA-N 0 3 324.472 3.143 20 30 DGEDHN COC(=O)CCN(CC#Cc1cccc(Cl)c1)CC(C)C ZINC000571388957 435702666 /nfs/dbraw/zinc/70/26/66/435702666.db2.gz UZCDQCLDUIRWDP-UHFFFAOYSA-N 0 3 307.821 3.213 20 30 DGEDHN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCC[C@H]1C ZINC000519666214 435698169 /nfs/dbraw/zinc/69/81/69/435698169.db2.gz AYSUYGKIDWVINJ-OLZOCXBDSA-N 0 3 319.836 3.204 20 30 DGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1(C#N)CC(C)C1)N(C)C ZINC000571712483 435729572 /nfs/dbraw/zinc/72/95/72/435729572.db2.gz NHTFDJPGLKYVQQ-MNCVFJLESA-N 0 3 313.445 3.042 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN(C)Cc1ccccc1 ZINC000660452808 435750139 /nfs/dbraw/zinc/75/01/39/435750139.db2.gz ZYTPODKVCVWSIK-HDICACEKSA-N 0 3 313.445 3.011 20 30 DGEDHN C[C@H](CN1CCN(c2cc(C#N)ccn2)CC1)C1CCCCC1 ZINC000549367084 435757014 /nfs/dbraw/zinc/75/70/14/435757014.db2.gz XFGZDPWXOAWIKZ-MRXNPFEDSA-N 0 3 312.461 3.292 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000660599276 435818920 /nfs/dbraw/zinc/81/89/20/435818920.db2.gz HYOCCIJKZIMAQO-FUHWJXTLSA-N 0 3 319.493 3.461 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)CC[C@H]2C)CC1 ZINC000660598456 435819887 /nfs/dbraw/zinc/81/98/87/435819887.db2.gz ZFVRPHMVSCJQIY-HZPDHXFCSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000651765901 435820883 /nfs/dbraw/zinc/82/08/83/435820883.db2.gz MEBVVGMNTASELZ-GVDBMIGSSA-N 0 3 321.486 3.492 20 30 DGEDHN C#C[C@@H](NC1CCC(NC(C)=O)CC1)c1ccc(Cl)cc1 ZINC000491625011 435779268 /nfs/dbraw/zinc/77/92/68/435779268.db2.gz RCLBDQQMGJSTRT-OFLPRAFFSA-N 0 3 304.821 3.051 20 30 DGEDHN C=CC[C@@H]1CC[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000651661938 435781973 /nfs/dbraw/zinc/78/19/73/435781973.db2.gz LOBCKGXOZSUONG-CZUORRHYSA-N 0 3 301.434 3.004 20 30 DGEDHN C=CCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000660674816 435855335 /nfs/dbraw/zinc/85/53/35/435855335.db2.gz JULIXNHFMZIJCJ-HNNXBMFYSA-N 0 3 301.434 3.087 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000660612950 435825571 /nfs/dbraw/zinc/82/55/71/435825571.db2.gz YSKASHZNLNSHIN-LUKYLMHMSA-N 0 3 305.466 3.142 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000665385142 435964763 /nfs/dbraw/zinc/96/47/63/435964763.db2.gz WPZISBPCHUVGAD-IXDOHACOSA-N 0 3 307.482 3.247 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCCC12CCN(C)CC2 ZINC000665390529 435966448 /nfs/dbraw/zinc/96/64/48/435966448.db2.gz ICAQFTWANGTLJE-IAGOWNOFSA-N 0 3 319.493 3.391 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000665392719 435966961 /nfs/dbraw/zinc/96/69/61/435966961.db2.gz CSIIWGHOGYHVKZ-HZMVEIRTSA-N 0 3 307.482 3.245 20 30 DGEDHN C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000661134594 435976417 /nfs/dbraw/zinc/97/64/17/435976417.db2.gz QICYOCNSIPFSRS-QGZVFWFLSA-N 0 3 315.461 3.162 20 30 DGEDHN C=C(C)Cn1c(C2CCC2)nnc1N(C)CCN1CCCCC1 ZINC000652621230 436023305 /nfs/dbraw/zinc/02/33/05/436023305.db2.gz DLKCZRXGCHHRRV-UHFFFAOYSA-N 0 3 317.481 3.044 20 30 DGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000661380579 436049003 /nfs/dbraw/zinc/04/90/03/436049003.db2.gz OGTQOBGHNCECFP-GJZGRUSLSA-N 0 3 302.418 3.310 20 30 DGEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000661381317 436050870 /nfs/dbraw/zinc/05/08/70/436050870.db2.gz IUPWEBOOPOCAIC-ZIAGYGMSSA-N 0 3 318.383 3.075 20 30 DGEDHN C=CCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000661571302 436109694 /nfs/dbraw/zinc/10/96/94/436109694.db2.gz SJPCIDBUAHJBIZ-HIFRSBDPSA-N 0 3 307.463 3.006 20 30 DGEDHN C=CCCn1cc(CNCCc2ccc(C(C)(C)C)cc2)nn1 ZINC000657307458 436130229 /nfs/dbraw/zinc/13/02/29/436130229.db2.gz CODWKALIPQTRJM-UHFFFAOYSA-N 0 3 312.461 3.484 20 30 DGEDHN C=CCC1(NCc2ccc(OCC(F)(F)F)nn2)CCCC1 ZINC000661849850 436208708 /nfs/dbraw/zinc/20/87/08/436208708.db2.gz BUBUMYHNBZFGHD-UHFFFAOYSA-N 0 3 315.339 3.396 20 30 DGEDHN C=CCC1(NCC(=O)Nc2cccc3nsnc32)CCCC1 ZINC000661864212 436213690 /nfs/dbraw/zinc/21/36/90/436213690.db2.gz NPOMSPOOSSXIQY-UHFFFAOYSA-N 0 3 316.430 3.108 20 30 DGEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]1(C)CO ZINC000662141240 436287173 /nfs/dbraw/zinc/28/71/73/436287173.db2.gz KGEKNXXTXIXCND-CJNGLKHVSA-N 0 3 311.347 3.007 20 30 DGEDHN C=CCCn1cc(CN[C@H]2CCCC[C@H]2CC(F)(F)F)nn1 ZINC000653722203 436251531 /nfs/dbraw/zinc/25/15/31/436251531.db2.gz OYXIXERCZFFQBA-JSGCOSHPSA-N 0 3 316.371 3.455 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCc2ccccc2)nc1 ZINC000653744686 436255513 /nfs/dbraw/zinc/25/55/13/436255513.db2.gz LKWQBPSAWPUFPP-MOPGFXCFSA-N 0 3 324.424 3.484 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000662077951 436266192 /nfs/dbraw/zinc/26/61/92/436266192.db2.gz GLDWLGZRGZABRX-BDXSIMOUSA-N 0 3 302.462 3.351 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(Cl)cc1 ZINC000662086811 436270552 /nfs/dbraw/zinc/27/05/52/436270552.db2.gz YZHBCLPQMIESHE-IYBDPMFKSA-N 0 3 304.821 3.139 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000662086884 436270686 /nfs/dbraw/zinc/27/06/86/436270686.db2.gz ZXDQVJZFLDVSTJ-NSHGMRRFSA-N 0 3 310.441 3.437 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)c1cc2c(s1)CCNC2 ZINC000662432030 436347950 /nfs/dbraw/zinc/34/79/50/436347950.db2.gz MPYRTYPEZMQJLL-UHFFFAOYSA-N 0 3 312.438 3.222 20 30 DGEDHN C=CCCC(C)(C)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000666926267 436307921 /nfs/dbraw/zinc/30/79/21/436307921.db2.gz MNFXGTQVSJISRA-UHFFFAOYSA-N 0 3 319.453 3.016 20 30 DGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2COC3(CCC3)C2)cc1 ZINC000657923600 436341249 /nfs/dbraw/zinc/34/12/49/436341249.db2.gz VUWNDXZYOIKRDG-HNNXBMFYSA-N 0 3 309.331 3.358 20 30 DGEDHN C=CCCN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000658115812 436380802 /nfs/dbraw/zinc/38/08/02/436380802.db2.gz WLPCSYZGJDMPTB-IRXDYDNUSA-N 0 3 307.459 3.246 20 30 DGEDHN C=C[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000654312064 436389189 /nfs/dbraw/zinc/38/91/89/436389189.db2.gz MQDITALGORYQQY-NEWSRXKRSA-N 0 3 312.457 3.479 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000654317942 436393783 /nfs/dbraw/zinc/39/37/83/436393783.db2.gz KUFDKSZZIRKREJ-IPMKNSEASA-N 0 3 312.457 3.479 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000658334248 436432477 /nfs/dbraw/zinc/43/24/77/436432477.db2.gz GLOOUXWDVGVDBC-WCBMZHEXSA-N 0 3 304.615 3.300 20 30 DGEDHN C=C(CNC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000654563676 436434407 /nfs/dbraw/zinc/43/44/07/436434407.db2.gz OMDSTJKYPFWNRK-ZWKOTPCHSA-N 0 3 313.445 3.016 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccccc2F)CC1 ZINC000654431403 436413953 /nfs/dbraw/zinc/41/39/53/436413953.db2.gz KBTOPZLIOXOAFD-QGZVFWFLSA-N 0 3 319.424 3.226 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)C1(N)CC2(CCC2)C1 ZINC000659256844 436484597 /nfs/dbraw/zinc/48/45/97/436484597.db2.gz QWPJHRXDSWQVGP-UHFFFAOYSA-N 0 3 302.393 3.002 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000659280215 436489515 /nfs/dbraw/zinc/48/95/15/436489515.db2.gz IXLGYOVUMMLZTG-GOSISDBHSA-N 0 3 322.408 3.102 20 30 DGEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000664542188 436615679 /nfs/dbraw/zinc/61/56/79/436615679.db2.gz UJOHZSGSRCONRW-IAGOWNOFSA-N 0 3 315.461 3.476 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000660280087 436617519 /nfs/dbraw/zinc/61/75/19/436617519.db2.gz LTBOGEQKNGBIQB-YOEHRIQHSA-N 0 3 305.466 3.047 20 30 DGEDHN Cc1ccccc1[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329603271 302147023 /nfs/dbraw/zinc/14/70/23/302147023.db2.gz LIDHCSAAZBWCAK-KDOFPFPSSA-N 0 3 324.428 3.327 20 30 DGEDHN Cc1ccccc1[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329603271 302147027 /nfs/dbraw/zinc/14/70/27/302147027.db2.gz LIDHCSAAZBWCAK-KDOFPFPSSA-N 0 3 324.428 3.327 20 30 DGEDHN N#CC1(CCCN2CCS[C@H]3CCCC[C@H]32)CCOCC1 ZINC000374099979 303141683 /nfs/dbraw/zinc/14/16/83/303141683.db2.gz QJTMDRRXHQMUPZ-CVEARBPZSA-N 0 3 308.491 3.447 20 30 DGEDHN N#C[C@H]1CCC[C@H](NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000185757376 303167234 /nfs/dbraw/zinc/16/72/34/303167234.db2.gz LJHFRHLJVXHBNQ-YESZJQIVSA-N 0 3 301.434 3.479 20 30 DGEDHN N#Cc1ccc([C@@H](N[C@@H]2CCC[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000552024869 314589074 /nfs/dbraw/zinc/58/90/74/314589074.db2.gz HNYKMNXJEFXFCK-IPMKNSEASA-N 0 3 319.408 3.011 20 30 DGEDHN C[C@H](CCN1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000562386498 315015952 /nfs/dbraw/zinc/01/59/52/315015952.db2.gz WZRLFAZGDUPAGX-QGZVFWFLSA-N 0 3 320.440 3.269 20 30 DGEDHN Cc1csc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1C#N ZINC000566421261 315343780 /nfs/dbraw/zinc/34/37/80/315343780.db2.gz XOBHKVODUQGNBR-CHWSQXEVSA-N 0 3 320.462 3.313 20 30 DGEDHN Cn1cc([C@H]2CN(Cc3ccc(C#N)cc3F)CC2(C)C)cn1 ZINC000566716811 315369182 /nfs/dbraw/zinc/36/91/82/315369182.db2.gz FNTISMXYHHEEHD-MRXNPFEDSA-N 0 3 312.392 3.056 20 30 DGEDHN CC(C)CN(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000566895189 315381444 /nfs/dbraw/zinc/38/14/44/315381444.db2.gz AQSSCBOQCHEGGG-SFHVURJKSA-N 0 3 311.429 3.174 20 30 DGEDHN CN1CCC[C@H](CNc2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000566950900 315385569 /nfs/dbraw/zinc/38/55/69/315385569.db2.gz OJPNKTMYPMGRKC-CQSZACIVSA-N 0 3 312.461 3.321 20 30 DGEDHN CC1CCN([C@H](CNc2cncc(C#N)n2)c2ccccc2)CC1 ZINC000571069929 315694628 /nfs/dbraw/zinc/69/46/28/315694628.db2.gz VLOMSLQKJMAZJE-GOSISDBHSA-N 0 3 321.428 3.233 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]2c2ccccn2)c1 ZINC000577930648 316285576 /nfs/dbraw/zinc/28/55/76/316285576.db2.gz HXTFAIBOLHFOTF-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000577974005 316290543 /nfs/dbraw/zinc/29/05/43/316290543.db2.gz ZHLHZYGQGRXUCJ-RBUKOAKNSA-N 0 3 306.409 3.474 20 30 DGEDHN COCCN(CCCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000580657358 324022651 /nfs/dbraw/zinc/02/26/51/324022651.db2.gz NCUIYMJMKBAPLS-UHFFFAOYSA-N 0 3 309.413 3.034 20 30 DGEDHN CN(C)[C@@H](CNc1cccnc1C#N)c1ccc(Cl)cc1 ZINC000580662989 324023576 /nfs/dbraw/zinc/02/35/76/324023576.db2.gz INLCTHLFRRVVRP-INIZCTEOSA-N 0 3 300.793 3.321 20 30 DGEDHN CN(C)[C@H](CNc1cccnc1C#N)c1ccc(Cl)cc1 ZINC000580662990 324023591 /nfs/dbraw/zinc/02/35/91/324023591.db2.gz INLCTHLFRRVVRP-MRXNPFEDSA-N 0 3 300.793 3.321 20 30 DGEDHN Fc1ccc(C#CCNC2(c3ccccc3)CCOCC2)cc1 ZINC000533380904 331511638 /nfs/dbraw/zinc/51/16/38/331511638.db2.gz KIIXXGFZIAJFJD-UHFFFAOYSA-N 0 3 309.384 3.473 20 30 DGEDHN Cc1ccc(Cl)c2ccc(NC(=O)[C@H](N)CCCC#N)nc12 ZINC000517234464 331593914 /nfs/dbraw/zinc/59/39/14/331593914.db2.gz IMXXEODYDVXIRY-CYBMUJFWSA-N 0 3 316.792 3.156 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000072670525 331669637 /nfs/dbraw/zinc/66/96/37/331669637.db2.gz YYCWUUBIJDNMDZ-SFHVURJKSA-N 0 3 324.424 3.218 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000181554118 332199073 /nfs/dbraw/zinc/19/90/73/332199073.db2.gz QLIBIKBLZHAJNG-SFHVURJKSA-N 0 3 300.446 3.022 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2CCCC2)c1 ZINC000053435197 332250286 /nfs/dbraw/zinc/25/02/86/332250286.db2.gz UOXOQPYADMDITH-UHFFFAOYSA-N 0 3 313.445 3.425 20 30 DGEDHN CC#CCN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000559458302 332261363 /nfs/dbraw/zinc/26/13/63/332261363.db2.gz AQSZSRHZZHEVET-INIZCTEOSA-N 0 3 306.409 3.111 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000292936212 335097729 /nfs/dbraw/zinc/09/77/29/335097729.db2.gz XJANEXMVBLYACS-UHFFFAOYSA-N 0 3 301.434 3.017 20 30 DGEDHN C=CCCCCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000560255059 332323647 /nfs/dbraw/zinc/32/36/47/332323647.db2.gz JGHMNXXJUKGKNW-RDJZCZTQSA-N 0 3 309.475 3.415 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCN(C)Cc2ccncc2)CCC1 ZINC000560596598 332367025 /nfs/dbraw/zinc/36/70/25/332367025.db2.gz OOXUYJSJUCGQAP-UHFFFAOYSA-N 0 3 315.461 3.108 20 30 DGEDHN CC1(C)C[C@]1(C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000562729145 332620152 /nfs/dbraw/zinc/62/01/52/332620152.db2.gz GFPACPVNZYBMMF-LJQANCHMSA-N 0 3 311.429 3.095 20 30 DGEDHN C=CCn1cccc1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000580268217 333046234 /nfs/dbraw/zinc/04/62/34/333046234.db2.gz BMWKNOZUDQUYLG-UHFFFAOYSA-N 0 3 323.440 3.417 20 30 DGEDHN Cn1c2ccccc2cc(CN2CCC(CCC#N)CC2)c1=O ZINC000582130536 333133115 /nfs/dbraw/zinc/13/31/15/333133115.db2.gz GXYNHNNXBBAPRG-UHFFFAOYSA-N 0 3 309.413 3.054 20 30 DGEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497176411 333206419 /nfs/dbraw/zinc/20/64/19/333206419.db2.gz HQBFSMNAMMWRIP-OAHLLOKOSA-N 0 3 307.438 3.059 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2CCC(C)(C)C#N)C1 ZINC000497271156 333229787 /nfs/dbraw/zinc/22/97/87/333229787.db2.gz IRSHBLCIKTUVJS-SFHVURJKSA-N 0 3 321.465 3.402 20 30 DGEDHN C=CCC(C)(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000500856472 333257758 /nfs/dbraw/zinc/25/77/58/333257758.db2.gz CSVMYEBGBOLKJI-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(Br)cs1 ZINC000320184206 333447728 /nfs/dbraw/zinc/44/77/28/333447728.db2.gz AAWISRISKVKNPX-MWLCHTKSSA-N 0 3 304.253 3.488 20 30 DGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(CN(C)C)cc1F)OCC ZINC000412562348 333764209 /nfs/dbraw/zinc/76/42/09/333764209.db2.gz WPOKMXMCJCGSHB-INIZCTEOSA-N 0 3 308.397 3.197 20 30 DGEDHN COc1cc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc(OC)c1OC ZINC000274197562 334056914 /nfs/dbraw/zinc/05/69/14/334056914.db2.gz JQHAQSLAZHTGHR-GUTXKFCHSA-N 0 3 318.417 3.445 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000291451698 334178867 /nfs/dbraw/zinc/17/88/67/334178867.db2.gz FRAUDRWNIFJYCH-LJQANCHMSA-N 0 3 313.445 3.341 20 30 DGEDHN COc1ccc([C@H](O)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293550142 334198940 /nfs/dbraw/zinc/19/89/40/334198940.db2.gz KYUCNMPBRCPNQS-YJLNNSPDSA-N 0 3 314.429 3.133 20 30 DGEDHN CC(C)[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000303667734 334329064 /nfs/dbraw/zinc/32/90/64/334329064.db2.gz XYSJSUGHEGBAPZ-KRWDZBQOSA-N 0 3 319.493 3.429 20 30 DGEDHN CC[C@@]1(C)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000344213029 335225720 /nfs/dbraw/zinc/22/57/20/335225720.db2.gz GTUBQGZDHUNXAD-APWZRJJASA-N 0 3 313.445 3.444 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(Cl)c2F)CC1 ZINC000345130442 335303830 /nfs/dbraw/zinc/30/38/30/335303830.db2.gz JXJAKJZYXUNNRZ-UHFFFAOYSA-N 0 3 310.800 3.168 20 30 DGEDHN Cc1ccnc(-c2nnc([C@@H](C)[NH2+]C3CCC(C)(C#N)CC3)[n-]2)c1 ZINC000583605298 335772270 /nfs/dbraw/zinc/77/22/70/335772270.db2.gz WAFONHBUEPLBAX-WRSVWVKZSA-N 0 3 324.432 3.298 20 30 DGEDHN N#CCc1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000582530866 337105559 /nfs/dbraw/zinc/10/55/59/337105559.db2.gz KBZHEYQZZCSVFA-GOSISDBHSA-N 0 3 311.429 3.488 20 30 DGEDHN C=CCC[C@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccccc1 ZINC000583882190 337376913 /nfs/dbraw/zinc/37/69/13/337376913.db2.gz XXMHTGXNLZTBIE-OTWHNJEPSA-N 0 3 312.457 3.432 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CC)CC1 ZINC000106264905 337815732 /nfs/dbraw/zinc/81/57/32/337815732.db2.gz IFEIHHVTUXTXKV-NVXWUHKLSA-N 0 3 307.482 3.295 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000106274965 337815796 /nfs/dbraw/zinc/81/57/96/337815796.db2.gz CCLYEIUIDKRDBR-HZPDHXFCSA-N 0 3 307.482 3.152 20 30 DGEDHN C=CCC[C@H](CO)NCc1cnc(CCc2ccccc2)s1 ZINC000449700991 338647093 /nfs/dbraw/zinc/64/70/93/338647093.db2.gz VECOORIUBABXOL-MRXNPFEDSA-N 0 3 316.470 3.345 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000501559044 340083687 /nfs/dbraw/zinc/08/36/87/340083687.db2.gz ZQMZZGMHLROJKC-WMLDXEAASA-N 0 3 321.440 3.472 20 30 DGEDHN C=CCCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000503355902 340126183 /nfs/dbraw/zinc/12/61/83/340126183.db2.gz KKMWENZIMREIGY-DOTOQJQBSA-N 0 3 303.450 3.252 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1C)C(C)C ZINC000503439246 340128272 /nfs/dbraw/zinc/12/82/72/340128272.db2.gz QRKAUCCWRRUHFZ-SJORKVTESA-N 0 3 307.482 3.269 20 30 DGEDHN C=C(Cl)CN[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400531154 340148261 /nfs/dbraw/zinc/14/82/61/340148261.db2.gz RTYLLKLRCMKOJQ-LBPRGKRZSA-N 0 3 302.846 3.364 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507235411 340215060 /nfs/dbraw/zinc/21/50/60/340215060.db2.gz ZZNNXLJPOIJHQO-KBPBESRZSA-N 0 3 314.433 3.027 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508883867 340255144 /nfs/dbraw/zinc/25/51/44/340255144.db2.gz XFJFAMGASVZXBY-JQHSSLGASA-N 0 3 315.461 3.428 20 30 DGEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN1C ZINC000509435814 340269430 /nfs/dbraw/zinc/26/94/30/340269430.db2.gz IYPQXFVLWMWZHF-ZIAGYGMSSA-N 0 3 310.363 3.081 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000509585058 340274204 /nfs/dbraw/zinc/27/42/04/340274204.db2.gz FBVFSDACCJUCQC-BZUAXINKSA-N 0 3 319.449 3.459 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000510297605 340295242 /nfs/dbraw/zinc/29/52/42/340295242.db2.gz KTNLPZNXVJBRBH-KBAYOESNSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000510766975 340310269 /nfs/dbraw/zinc/31/02/69/340310269.db2.gz VKTUNAIRNPNWBW-KRWDZBQOSA-N 0 3 303.837 3.488 20 30 DGEDHN C=CCN1CCC(NC(=O)NCCCCC2CCCC2)CC1 ZINC000173197840 340360162 /nfs/dbraw/zinc/36/01/62/340360162.db2.gz LYFTZPSQSKUFCK-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC=CCC1)C(C)C ZINC000522998745 340613044 /nfs/dbraw/zinc/61/30/44/340613044.db2.gz GXKFLNDIIQDKSA-DLBZAZTESA-N 0 3 305.466 3.093 20 30 DGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C=C)CC1 ZINC000523608484 340629812 /nfs/dbraw/zinc/62/98/12/340629812.db2.gz IOYOQUFJJZJJHS-GOSISDBHSA-N 0 3 301.430 3.053 20 30 DGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C=C)CC1 ZINC000523608485 340629844 /nfs/dbraw/zinc/62/98/44/340629844.db2.gz IOYOQUFJJZJJHS-SFHVURJKSA-N 0 3 301.430 3.053 20 30 DGEDHN CN(C(=O)CN1CC[C@H](C(C)(C)C)C1)C1(C#N)CCCCC1 ZINC000543251824 341038450 /nfs/dbraw/zinc/03/84/50/341038450.db2.gz JBGPDIZYDKEMHV-HNNXBMFYSA-N 0 3 305.466 3.039 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](CC(C)C)C2)CC1 ZINC000074130156 341129466 /nfs/dbraw/zinc/12/94/66/341129466.db2.gz NLIHKCZUSJWIMJ-INIZCTEOSA-N 0 3 307.482 3.105 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CCC)CC1 ZINC000074132420 341129491 /nfs/dbraw/zinc/12/94/91/341129491.db2.gz XGVRTCCVYZZDCL-NVXWUHKLSA-N 0 3 307.482 3.247 20 30 DGEDHN CC(C)(CCC#N)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000546658421 341177712 /nfs/dbraw/zinc/17/77/12/341177712.db2.gz WGVHUSXHKPOKLN-AWEZNQCLSA-N 0 3 306.372 3.342 20 30 DGEDHN CC(C)C[C@@H](CNC(=O)c1cccc(SCC#N)c1)N(C)C ZINC000079527561 341260664 /nfs/dbraw/zinc/26/06/64/341260664.db2.gz CYNKBKRCHYTYHP-HNNXBMFYSA-N 0 3 319.474 3.008 20 30 DGEDHN Cc1ccc(CCCN2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC000548859821 341278548 /nfs/dbraw/zinc/27/85/48/341278548.db2.gz OTBYWBFHENGVGB-UHFFFAOYSA-N 0 3 320.440 3.275 20 30 DGEDHN CC(C)[C@@H](NCC#Cc1cccc(Cl)c1)C1(CO)CCC1 ZINC000550103158 341310103 /nfs/dbraw/zinc/31/01/03/341310103.db2.gz YPNLLQZDUUOASK-QGZVFWFLSA-N 0 3 305.849 3.468 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C(C)(F)F)C(C)C ZINC000551095054 341331445 /nfs/dbraw/zinc/33/14/45/341331445.db2.gz IIZVQRGSFOBEJM-KBPBESRZSA-N 0 3 302.409 3.093 20 30 DGEDHN C=CCCC(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000552003933 341359111 /nfs/dbraw/zinc/35/91/11/341359111.db2.gz CRNVEMMQFGFISO-OAHLLOKOSA-N 0 3 306.475 3.303 20 30 DGEDHN C[C@H](CCO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000593695239 500918266 /nfs/dbraw/zinc/91/82/66/500918266.db2.gz YZDOMLWSXCTXBH-MRXNPFEDSA-N 0 3 324.424 3.340 20 30 DGEDHN C[C@@H](CN(C)C)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000348745488 533732998 /nfs/dbraw/zinc/73/29/98/533732998.db2.gz BRRYDMMPGXDDIS-INIZCTEOSA-N 0 3 321.424 3.158 20 30 DGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000178576439 533731876 /nfs/dbraw/zinc/73/18/76/533731876.db2.gz ZCYPBOBQYPFAHG-GOSISDBHSA-N 0 3 322.412 3.291 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccc(CC#N)c1 ZINC000177356536 533869781 /nfs/dbraw/zinc/86/97/81/533869781.db2.gz FHDKQJHUZXYZRB-UHFFFAOYSA-N 0 3 307.397 3.375 20 30 DGEDHN C[C@@H](c1ccncc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433311021 534128568 /nfs/dbraw/zinc/12/85/68/534128568.db2.gz KPCGFJFVGMSKDL-YJBOKZPZSA-N 0 3 307.397 3.374 20 30 DGEDHN COc1ccccc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000026223503 518168177 /nfs/dbraw/zinc/16/81/77/518168177.db2.gz QPOHXRKZJSCZCW-UHFFFAOYSA-N 0 3 323.396 3.027 20 30 DGEDHN C=C(CC)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449733732 534418376 /nfs/dbraw/zinc/41/83/76/534418376.db2.gz PZGLKVMZWCDSLY-UHFFFAOYSA-N 0 3 300.362 3.051 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000458755662 534513956 /nfs/dbraw/zinc/51/39/56/534513956.db2.gz DFKRWTGOIXDOOQ-GDBMZVCRSA-N 0 3 303.450 3.189 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc(Br)c1 ZINC000449518372 534609425 /nfs/dbraw/zinc/60/94/25/534609425.db2.gz JBHGKULMUZCGCN-OLZOCXBDSA-N 0 3 300.171 3.021 20 30 DGEDHN N#CCCCOc1cccc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000352855758 534615005 /nfs/dbraw/zinc/61/50/05/534615005.db2.gz ZMUXBKLYSGVCPN-UHFFFAOYSA-N 0 3 324.428 3.472 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000472844336 534685556 /nfs/dbraw/zinc/68/55/56/534685556.db2.gz APMNNIMLCCWALA-AEFFLSMTSA-N 0 3 315.461 3.305 20 30 DGEDHN N#CCSCCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128762083 534706603 /nfs/dbraw/zinc/70/66/03/534706603.db2.gz FWKIDDFQKYBWKT-CYBMUJFWSA-N 0 3 310.850 3.440 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccncc1)C1CC1 ZINC000433305421 534739908 /nfs/dbraw/zinc/73/99/08/534739908.db2.gz NOYAQLFXCMHOON-SFHVURJKSA-N 0 3 319.408 3.345 20 30 DGEDHN C=CCC[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449695011 534791787 /nfs/dbraw/zinc/79/17/87/534791787.db2.gz DEVIGXOYTYCCQP-AWEZNQCLSA-N 0 3 316.357 3.272 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](OC)[C@H](C)C2)cc1OC ZINC000449497419 534883462 /nfs/dbraw/zinc/88/34/62/534883462.db2.gz KGEPIDTXUPOOPI-ZBFHGGJFSA-N 0 3 305.418 3.117 20 30 DGEDHN C=CCN(CCC(=O)NC1CCCC1)Cc1ccc(OC)cc1 ZINC000345089710 526273898 /nfs/dbraw/zinc/27/38/98/526273898.db2.gz INMSHGUXAUVWFT-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCN(C[C@@H](O)COc1ccccc1C(F)(F)F)C1CC1 ZINC000343767642 526331412 /nfs/dbraw/zinc/33/14/12/526331412.db2.gz OLFDAXOVMSMFFN-CYBMUJFWSA-N 0 3 315.335 3.096 20 30 DGEDHN C=CCN(Cc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000353511413 526358313 /nfs/dbraw/zinc/35/83/13/526358313.db2.gz BJDJANZAHFAQKA-MRXNPFEDSA-N 0 3 319.412 3.412 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc(CC)cc2)CC1 ZINC000176285510 526420493 /nfs/dbraw/zinc/42/04/93/526420493.db2.gz HASUVQPOKWHFOX-UHFFFAOYSA-N 0 3 314.473 3.293 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2cccs2)CC1 ZINC000171721266 526437013 /nfs/dbraw/zinc/43/70/13/526437013.db2.gz VXQLQRBOUNLOMV-AWEZNQCLSA-N 0 3 307.463 3.149 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000171721553 526444680 /nfs/dbraw/zinc/44/46/80/526444680.db2.gz IRDIAAWUVGJTPR-CVEARBPZSA-N 0 3 318.848 3.210 20 30 DGEDHN C=CCN1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180489042 526455004 /nfs/dbraw/zinc/45/50/04/526455004.db2.gz NQVHHWCJOXTJMM-HXUWFJFHSA-N 0 3 307.441 3.411 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000181380570 526491142 /nfs/dbraw/zinc/49/11/42/526491142.db2.gz HDTAAZULIDSVJW-FUHWJXTLSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C(C)CN(C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000353165267 526503085 /nfs/dbraw/zinc/50/30/85/526503085.db2.gz SNXBILLBZUDDSF-UHFFFAOYSA-N 0 3 312.207 3.228 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000180351959 526592887 /nfs/dbraw/zinc/59/28/87/526592887.db2.gz ASSGBWCIPNZAPY-MRXNPFEDSA-N 0 3 305.466 3.049 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)CC(F)(F)F)CC1 ZINC000354648408 526593686 /nfs/dbraw/zinc/59/36/86/526593686.db2.gz JDIZPUXXDXPZLQ-GFCCVEGCSA-N 0 3 321.387 3.057 20 30 DGEDHN C=C(C)COCCNCc1cc(F)cc(Br)c1 ZINC000163769845 526654843 /nfs/dbraw/zinc/65/48/43/526654843.db2.gz TYLXZZYGXFCRMO-UHFFFAOYSA-N 0 3 302.187 3.271 20 30 DGEDHN C=C(C)COc1cc(CN[C@@H](CO)C/C=C\C)ccc1OC ZINC000349829371 526661492 /nfs/dbraw/zinc/66/14/92/526661492.db2.gz OMPZJFORGVEXFZ-OGZRUICASA-N 0 3 305.418 3.067 20 30 DGEDHN C#CCCCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000180190254 526690968 /nfs/dbraw/zinc/69/09/68/526690968.db2.gz DNXYVZJUVUAKIS-UHFFFAOYSA-N 0 3 322.836 3.413 20 30 DGEDHN CC(=O)NC1CCC(N(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000344066471 526696671 /nfs/dbraw/zinc/69/66/71/526696671.db2.gz PDKNKTWBOYAKOO-UHFFFAOYSA-N 0 3 318.848 3.071 20 30 DGEDHN C=CCOCCCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000348025048 526753837 /nfs/dbraw/zinc/75/38/37/526753837.db2.gz DFECZSKLGTXNBS-KRWDZBQOSA-N 0 3 305.393 3.456 20 30 DGEDHN CC(C)(C)c1cnc(NC(=O)NCCN2CCCCC2)s1 ZINC000331256144 526824377 /nfs/dbraw/zinc/82/43/77/526824377.db2.gz WEKVZNBMMXTYJM-UHFFFAOYSA-N 0 3 310.467 3.252 20 30 DGEDHN C=CCOc1ccc(C(=O)N(CCC)CCN2CCCC2)cc1 ZINC000342291815 526837044 /nfs/dbraw/zinc/83/70/44/526837044.db2.gz RLYWTXUUVBZVIE-UHFFFAOYSA-N 0 3 316.445 3.199 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cnc(C(F)(F)F)s1 ZINC000435747034 526849844 /nfs/dbraw/zinc/84/98/44/526849844.db2.gz CYVBSPQGMZCOCQ-GXSJLCMTSA-N 0 3 306.353 3.233 20 30 DGEDHN C=C(CC)CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000358513329 526852019 /nfs/dbraw/zinc/85/20/19/526852019.db2.gz UHYYLQRLLIDTBI-ZDUSSCGKSA-N 0 3 307.825 3.352 20 30 DGEDHN C=CCOc1ccc(CN(CC)CCC(=O)OC)cc1Cl ZINC000352650579 526864100 /nfs/dbraw/zinc/86/41/00/526864100.db2.gz ZESWMSKDHWGEKZ-UHFFFAOYSA-N 0 3 311.809 3.290 20 30 DGEDHN C=C(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000360222406 526876629 /nfs/dbraw/zinc/87/66/29/526876629.db2.gz RVVWNYMMEHWDIV-LJQANCHMSA-N 0 3 315.376 3.070 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000359107003 526881196 /nfs/dbraw/zinc/88/11/96/526881196.db2.gz RMUVFRGFVKGBBS-XHSDSOJGSA-N 0 3 316.445 3.129 20 30 DGEDHN C=CCOc1ccc(CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000359107000 526881957 /nfs/dbraw/zinc/88/19/57/526881957.db2.gz RMUVFRGFVKGBBS-JYJNAYRXSA-N 0 3 316.445 3.129 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C(=O)NCC)C(C)C)cc1Cl ZINC000339428770 526889555 /nfs/dbraw/zinc/88/95/55/526889555.db2.gz NQTNJRLFBSGAND-INIZCTEOSA-N 0 3 324.852 3.155 20 30 DGEDHN C=CCOc1cccc(CN(C[C@H](C)C(=O)OC)C2CC2)c1 ZINC000182070200 526898213 /nfs/dbraw/zinc/89/82/13/526898213.db2.gz CJEIJERMRATCDD-AWEZNQCLSA-N 0 3 303.402 3.025 20 30 DGEDHN C=CCOc1cccc(CN(C[C@@H](C)C(=O)OC)C2CC2)c1 ZINC000182070328 526898717 /nfs/dbraw/zinc/89/87/17/526898717.db2.gz CJEIJERMRATCDD-CQSZACIVSA-N 0 3 303.402 3.025 20 30 DGEDHN C=CCOc1ccccc1CNC(=O)[C@H](C)N1CCCCCC1 ZINC000357942313 526946509 /nfs/dbraw/zinc/94/65/09/526946509.db2.gz YHHUVXQFLFZGFT-INIZCTEOSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000358570625 526952189 /nfs/dbraw/zinc/95/21/89/526952189.db2.gz NJITWUQPUOFKQT-GUDVDZBRSA-N 0 3 317.429 3.068 20 30 DGEDHN C=CC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180142378 526980342 /nfs/dbraw/zinc/98/03/42/526980342.db2.gz CAJDBQHVHSLWHC-UHFFFAOYSA-N 0 3 306.413 3.357 20 30 DGEDHN C=CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000348181594 526981916 /nfs/dbraw/zinc/98/19/16/526981916.db2.gz JHUIHEAJGSSAPG-INIZCTEOSA-N 0 3 300.446 3.240 20 30 DGEDHN CC(C)(CCC#N)CNC[C@](O)(c1ccccc1)C(F)(F)F ZINC000174342772 526999371 /nfs/dbraw/zinc/99/93/71/526999371.db2.gz YSEDJXGHDVOYQC-HNNXBMFYSA-N 0 3 314.351 3.356 20 30 DGEDHN C=CCC(CC=C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000343933029 527033898 /nfs/dbraw/zinc/03/38/98/527033898.db2.gz VNPXCYHBLFVEQS-UHFFFAOYSA-N 0 3 302.418 3.334 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342098988 527131915 /nfs/dbraw/zinc/13/19/15/527131915.db2.gz HDSSALZWPRRCHK-YQQAZPJKSA-N 0 3 301.434 3.086 20 30 DGEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346629379 527189558 /nfs/dbraw/zinc/18/95/58/527189558.db2.gz UJKWPFKWRQCCJQ-KSSFIOAISA-N 0 3 300.377 3.084 20 30 DGEDHN C#C[C@@H](C)NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000289630411 527226653 /nfs/dbraw/zinc/22/66/53/527226653.db2.gz WUORASXTBGSRJF-CYBMUJFWSA-N 0 3 301.411 3.447 20 30 DGEDHN C=CCc1cc(CN(C)CC[C@@H]2CCCO2)cc(OC)c1O ZINC000343476660 527235374 /nfs/dbraw/zinc/23/53/74/527235374.db2.gz VHAUEGLWGCCQSS-INIZCTEOSA-N 0 3 305.418 3.130 20 30 DGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC1CC1 ZINC000340667060 527318837 /nfs/dbraw/zinc/31/88/37/527318837.db2.gz ZZGFPARSEGHURB-UHFFFAOYSA-N 0 3 320.506 3.385 20 30 DGEDHN C=CCCN(C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000342732999 527324581 /nfs/dbraw/zinc/32/45/81/527324581.db2.gz HPPNFCVQCKCIFF-CQSZACIVSA-N 0 3 312.335 3.319 20 30 DGEDHN C=CCn1c(SCCN(CC)CC)nnc1-c1ccco1 ZINC000181316374 527340187 /nfs/dbraw/zinc/34/01/87/527340187.db2.gz SGXSDJLGBHUWDV-UHFFFAOYSA-N 0 3 306.435 3.158 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000356256763 527389438 /nfs/dbraw/zinc/38/94/38/527389438.db2.gz PTRMPUIXOULGHH-CRAIPNDOSA-N 0 3 311.429 3.095 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000337607688 527509090 /nfs/dbraw/zinc/50/90/90/527509090.db2.gz RABIYKJSGPIQEH-GDBMZVCRSA-N 0 3 301.434 3.409 20 30 DGEDHN C=CCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)C1CC1 ZINC000357535013 527539047 /nfs/dbraw/zinc/53/90/47/527539047.db2.gz FGRSFZRYAYCOIO-HIFRSBDPSA-N 0 3 305.422 3.069 20 30 DGEDHN C=C[C@H](C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000346006382 527563073 /nfs/dbraw/zinc/56/30/73/527563073.db2.gz GGROFXGQJKAMAV-DOTOQJQBSA-N 0 3 303.450 3.017 20 30 DGEDHN C=C[C@H](CC(=O)N(C)CC1CCN(C)CC1)c1ccccc1 ZINC000129671811 527572095 /nfs/dbraw/zinc/57/20/95/527572095.db2.gz NPBAMYVFRLEEGC-QGZVFWFLSA-N 0 3 300.446 3.147 20 30 DGEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000429710669 527574649 /nfs/dbraw/zinc/57/46/49/527574649.db2.gz YKQDIVRNEVSYGY-OAHLLOKOSA-N 0 3 314.433 3.237 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000337627842 527629010 /nfs/dbraw/zinc/62/90/10/527629010.db2.gz BGNGIJNUUSYNSZ-QZTJIDSGSA-N 0 3 312.457 3.373 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCCS1)C(C)C ZINC000341089466 527647233 /nfs/dbraw/zinc/64/72/33/527647233.db2.gz JDJOYZFKKPAGAB-JKSUJKDBSA-N 0 3 310.507 3.087 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1sc(C)nc1C)C(C)C ZINC000046049424 527647423 /nfs/dbraw/zinc/64/74/23/527647423.db2.gz XMOYQQSVONPLQM-HNNXBMFYSA-N 0 3 321.490 3.188 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCCS1)C(C)C ZINC000341089390 527649973 /nfs/dbraw/zinc/64/99/73/527649973.db2.gz JDJOYZFKKPAGAB-CVEARBPZSA-N 0 3 310.507 3.087 20 30 DGEDHN CCC[C@@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000180281197 527784787 /nfs/dbraw/zinc/78/47/87/527784787.db2.gz IYKQRQMUDBJMSA-VQTJNVASSA-N 0 3 324.472 3.416 20 30 DGEDHN CCC[C@@H]1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000301998915 527789667 /nfs/dbraw/zinc/78/96/67/527789667.db2.gz IKVCWJHFPHGWNB-HXUWFJFHSA-N 0 3 320.440 3.444 20 30 DGEDHN CCCN(C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000355631606 527824801 /nfs/dbraw/zinc/82/48/01/527824801.db2.gz CTENAAZZLUXWHM-CYBMUJFWSA-N 0 3 314.216 3.016 20 30 DGEDHN CCC1CCC(N(CC(=O)N(CC)C[C@@H](C)C#N)C2CC2)CC1 ZINC000339221225 527842277 /nfs/dbraw/zinc/84/22/77/527842277.db2.gz BSHOJBKQBUAPGB-GTPINHCMSA-N 0 3 319.493 3.428 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)CCc1ccccc1 ZINC000170811048 527931839 /nfs/dbraw/zinc/93/18/39/527931839.db2.gz GVHQXGGFDQJJCC-IBGZPJMESA-N 0 3 315.461 3.042 20 30 DGEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000355675195 527941353 /nfs/dbraw/zinc/94/13/53/527941353.db2.gz UDQLXGNZXAOEPZ-UHFFFAOYSA-N 0 3 315.461 3.148 20 30 DGEDHN CCN(CC)C(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185881252 528068491 /nfs/dbraw/zinc/06/84/91/528068491.db2.gz AOAFTRNWOBKPHG-AEFFLSMTSA-N 0 3 313.445 3.341 20 30 DGEDHN CC1=CCC[C@H](C)[C@@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000443408510 528106126 /nfs/dbraw/zinc/10/61/26/528106126.db2.gz KXQMKUMCGHUNQR-FUHWJXTLSA-N 0 3 310.445 3.068 20 30 DGEDHN CCCN1CCC[C@H]1CNC(=O)c1csc([C@H]2CCCO2)n1 ZINC000329177712 528233201 /nfs/dbraw/zinc/23/32/01/528233201.db2.gz CJDRVHOUNJLWKV-GXTWGEPZSA-N 0 3 323.462 3.174 20 30 DGEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(C#N)cc2)n1 ZINC000155758287 528240690 /nfs/dbraw/zinc/24/06/90/528240690.db2.gz XIIBNGYSFQTQNN-CYBMUJFWSA-N 0 3 310.382 3.384 20 30 DGEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1cc(C)ccc1C ZINC000133886206 528357997 /nfs/dbraw/zinc/35/79/97/528357997.db2.gz CLMSUBGARNKTLN-SFHVURJKSA-N 0 3 313.445 3.203 20 30 DGEDHN CC(C)c1nnc(CCN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000426308293 528421213 /nfs/dbraw/zinc/42/12/13/528421213.db2.gz DLJLVMQZAZUVJJ-LBPRGKRZSA-N 0 3 300.431 3.426 20 30 DGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)CCCC#N)N(C)C)cc1 ZINC000360597859 528654570 /nfs/dbraw/zinc/65/45/70/528654570.db2.gz NKFFUNGGPXMTBM-GOSISDBHSA-N 0 3 315.461 3.298 20 30 DGEDHN CC(C)[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000444771869 528665877 /nfs/dbraw/zinc/66/58/77/528665877.db2.gz LIDVPSXSNVKDLG-QGZVFWFLSA-N 0 3 313.445 3.301 20 30 DGEDHN CCN(Cc1ccc(CC#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000342689904 528778191 /nfs/dbraw/zinc/77/81/91/528778191.db2.gz FVDWZNOEDGYSEU-SFHVURJKSA-N 0 3 322.408 3.415 20 30 DGEDHN CCOCCOc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442789137 528844806 /nfs/dbraw/zinc/84/48/06/528844806.db2.gz XWSJHMYTOGFDFY-DOTOQJQBSA-N 0 3 302.418 3.192 20 30 DGEDHN CC(C)[C@H](C(=O)N[C@H]1CCCc2c[nH]nc21)N1CCCCC1 ZINC000330163617 528896886 /nfs/dbraw/zinc/89/68/86/528896886.db2.gz VGPVAIXSNBHUGU-GOEBONIOSA-N 0 3 304.438 3.254 20 30 DGEDHN CCO[C@@H](C)c1ncc(C(=O)NC2CCN(CC)CC2)s1 ZINC000330880732 529104363 /nfs/dbraw/zinc/10/43/63/529104363.db2.gz BUGMEFAYHIOPDC-NSHDSACASA-N 0 3 311.451 3.030 20 30 DGEDHN CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000413980108 529105038 /nfs/dbraw/zinc/10/50/38/529105038.db2.gz CMQMNXVSOFKFPK-KBPBESRZSA-N 0 3 312.335 3.462 20 30 DGEDHN CC[C@H](C)Oc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccn1 ZINC000330708029 529187455 /nfs/dbraw/zinc/18/74/55/529187455.db2.gz MQJREQMFSPLKCV-KCQAQPDRSA-N 0 3 305.422 3.046 20 30 DGEDHN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000347352060 529188574 /nfs/dbraw/zinc/18/85/74/529188574.db2.gz XQFYDYUXCYIEIY-SWLSCSKDSA-N 0 3 324.384 3.156 20 30 DGEDHN CC[C@H]1CCCCN1CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC000330726703 529199839 /nfs/dbraw/zinc/19/98/39/529199839.db2.gz FTEGHPSTOPMXGJ-HNNXBMFYSA-N 0 3 306.454 3.207 20 30 DGEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000444670073 529210117 /nfs/dbraw/zinc/21/01/17/529210117.db2.gz DUKYJAZVMMZHQL-ZWKOTPCHSA-N 0 3 313.445 3.075 20 30 DGEDHN CC[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343931926 529298514 /nfs/dbraw/zinc/29/85/14/529298514.db2.gz PVAWIPDTADAVMX-QGZVFWFLSA-N 0 3 313.445 3.445 20 30 DGEDHN CC[C@](C)(CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331359710 529363724 /nfs/dbraw/zinc/36/37/24/529363724.db2.gz WVOYOIHYLOMAAI-GOSISDBHSA-N 0 3 304.434 3.138 20 30 DGEDHN CC[C@](C)(NCCCC1(C#N)CCOCC1)c1nccs1 ZINC000337156167 529370355 /nfs/dbraw/zinc/37/03/55/529370355.db2.gz ABGVRYMFBPVZFD-HNNXBMFYSA-N 0 3 307.463 3.458 20 30 DGEDHN CC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(F)F ZINC000449366267 535894864 /nfs/dbraw/zinc/89/48/64/535894864.db2.gz YIMVOZYFYGKEEG-INIZCTEOSA-N 0 3 307.388 3.156 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc2cccnc2o1 ZINC000449326951 536398228 /nfs/dbraw/zinc/39/82/28/536398228.db2.gz ANAABTSDBISUSA-UHFFFAOYSA-N 0 3 321.380 3.348 20 30 DGEDHN CCC(C#N)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000381095034 546738038 /nfs/dbraw/zinc/73/80/38/546738038.db2.gz XYYUEPJDSLOSKP-RDJZCZTQSA-N 0 3 313.445 3.096 20 30 DGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 ZINC000668368846 547446366 /nfs/dbraw/zinc/44/63/66/547446366.db2.gz IQECGOBPHZBCLB-RBUKOAKNSA-N 0 3 312.457 3.174 20 30 DGEDHN Cc1ccncc1[C@H](C)NCC#CCN[C@@H](C)c1cnccc1C ZINC000671243010 547780366 /nfs/dbraw/zinc/78/03/66/547780366.db2.gz FRQYRIIHDQVRRS-ROUUACIJSA-N 0 3 322.456 3.098 20 30 DGEDHN C(#Cc1ccccc1)CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000683004848 549413410 /nfs/dbraw/zinc/41/34/10/549413410.db2.gz LLNYCJOUYLBPJI-WOJBJXKFSA-N 0 3 302.421 3.106 20 30 DGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CNc2ccnn2C1 ZINC000684194469 549590698 /nfs/dbraw/zinc/59/06/98/549590698.db2.gz GKSYAHLUOIRXJN-GFCCVEGCSA-N 0 3 322.865 3.328 20 30 DGEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccc(C(C)C)cc2)C1=O ZINC000685003205 549732142 /nfs/dbraw/zinc/73/21/42/549732142.db2.gz ZSWAUAPEZVLHRZ-QGZVFWFLSA-N 0 3 300.446 3.422 20 30 DGEDHN C#CCOc1ccc(NC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000731042191 574541739 /nfs/dbraw/zinc/54/17/39/574541739.db2.gz HMXPZDOYYJORFV-UHFFFAOYSA-N 0 3 323.396 3.404 20 30 DGEDHN CC[C@H](C)CN(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000732205854 574568072 /nfs/dbraw/zinc/56/80/72/574568072.db2.gz NPNZKDSJKRPSHE-ZFWWWQNUSA-N 0 3 322.412 3.202 20 30 DGEDHN CC[C@@H](c1ccccc1)N(CC(=O)NCCC#N)CC(C)C ZINC000732214345 574568587 /nfs/dbraw/zinc/56/85/87/574568587.db2.gz FKCZBYKTHHTYGD-KRWDZBQOSA-N 0 3 301.434 3.126 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ncoc1C(C)C)C(C)C ZINC000732306192 574571236 /nfs/dbraw/zinc/57/12/36/574571236.db2.gz KZTBPMSOTRTSIS-HNNXBMFYSA-N 0 3 319.449 3.226 20 30 DGEDHN C#CCOc1ccccc1CNCCN1CCCC[C@@H]1CC ZINC000733329839 574615330 /nfs/dbraw/zinc/61/53/30/574615330.db2.gz AGAAWQQWCBQZMQ-SFHVURJKSA-N 0 3 300.446 3.053 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCOc2cccnc2)c([O-])c1 ZINC000733903616 574642323 /nfs/dbraw/zinc/64/23/23/574642323.db2.gz MNPWANIMQIXJKU-MOSHPQCFSA-N 0 3 313.401 3.131 20 30 DGEDHN N#CCOc1ccc(CNC2(c3ccccc3)CCOCC2)cc1 ZINC000734000613 574646315 /nfs/dbraw/zinc/64/63/15/574646315.db2.gz SBYFKOCEQCZWAT-UHFFFAOYSA-N 0 3 322.408 3.384 20 30 DGEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000736668705 574802255 /nfs/dbraw/zinc/80/22/55/574802255.db2.gz CGAJMGUQECXMJC-CQSZACIVSA-N 0 3 311.385 3.034 20 30 DGEDHN Cc1sc2ncnc(N=NC3CCN(C)[C@@H](C)C3)c2c1C ZINC000741454968 574958229 /nfs/dbraw/zinc/95/82/29/574958229.db2.gz HMBNLBMLGSPSLZ-VIFPVBQESA-N 0 3 303.435 3.190 20 30 DGEDHN CCCCCCCCOCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000741684989 574966814 /nfs/dbraw/zinc/96/68/14/574966814.db2.gz NDQLIBDMCXWSET-KRWDZBQOSA-N 0 3 310.482 3.060 20 30 DGEDHN COc1ccc(CNCCCOc2ccccc2F)cc1C#N ZINC000742366857 574992348 /nfs/dbraw/zinc/99/23/48/574992348.db2.gz XPWOCBXSTFFWRU-UHFFFAOYSA-N 0 3 314.360 3.265 20 30 DGEDHN C#CCOc1ccc(CNCCc2nc3c(cccc3C)o2)cc1 ZINC000742710192 575014240 /nfs/dbraw/zinc/01/42/40/575014240.db2.gz SGGZCFGWMGKFDN-UHFFFAOYSA-N 0 3 320.392 3.481 20 30 DGEDHN C=CCOc1cccc(CNCCN2CCc3ccccc32)c1 ZINC000742717587 575014463 /nfs/dbraw/zinc/01/44/63/575014463.db2.gz DYBNGYAUKXDGPL-UHFFFAOYSA-N 0 3 308.425 3.404 20 30 DGEDHN C=CC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccncc1 ZINC000743414971 575050065 /nfs/dbraw/zinc/05/00/65/575050065.db2.gz GPNGCANDSPHERY-WBVHZDCISA-N 0 3 301.434 3.080 20 30 DGEDHN CC(C)[C@H]1CN(CCCOc2ccc(C#N)cc2)CCS1 ZINC000743869299 575067127 /nfs/dbraw/zinc/06/71/27/575067127.db2.gz OBXWSCIXQGRWHW-QGZVFWFLSA-N 0 3 304.459 3.401 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000744038464 575069581 /nfs/dbraw/zinc/06/95/81/575069581.db2.gz VOSRKCBWHCICNK-XHDPSFHLSA-N 0 3 318.804 3.211 20 30 DGEDHN CCCCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000740874809 575229565 /nfs/dbraw/zinc/22/95/65/575229565.db2.gz KMZMXIQNEWLEJI-UHFFFAOYSA-N 0 3 306.410 3.082 20 30 DGEDHN C#CCOc1ccccc1CNCCc1ccccc1OCC ZINC000729685372 575260569 /nfs/dbraw/zinc/26/05/69/575260569.db2.gz NLBLUFNCKKNABU-UHFFFAOYSA-N 0 3 309.409 3.430 20 30 DGEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000729887889 575265523 /nfs/dbraw/zinc/26/55/23/575265523.db2.gz FCQWXIQJDMZUNH-CZUORRHYSA-N 0 3 314.385 3.050 20 30 DGEDHN C#CCN(C[C@H](O)COc1cc(C)cc(C)c1)C1CCCCC1 ZINC000744739124 575353481 /nfs/dbraw/zinc/35/34/81/575353481.db2.gz HMZWWVJGRPZIGR-IBGZPJMESA-N 0 3 315.457 3.311 20 30 DGEDHN CC[C@@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000744937436 575365470 /nfs/dbraw/zinc/36/54/70/575365470.db2.gz DSHNNKHQORDSMW-BXKDBHETSA-N 0 3 307.300 3.033 20 30 DGEDHN Cc1cc(C)n(CCC(=O)C(C#N)c2nc(C(C)C)cs2)n1 ZINC000747194114 575504892 /nfs/dbraw/zinc/50/48/92/575504892.db2.gz STIKLKFWMXBQQY-ZDUSSCGKSA-N 0 3 316.430 3.346 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000747624924 575528164 /nfs/dbraw/zinc/52/81/64/575528164.db2.gz IGUKFEYYBPJSEE-UHFFFAOYSA-N 0 3 304.821 3.241 20 30 DGEDHN COCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)C1CCCC1 ZINC000747792215 575541771 /nfs/dbraw/zinc/54/17/71/575541771.db2.gz PMVDRQVIMIJRAF-UHFFFAOYSA-N 0 3 324.428 3.270 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000748247653 575575054 /nfs/dbraw/zinc/57/50/54/575575054.db2.gz WCLARWJRRGKBJU-SFHVURJKSA-N 0 3 311.429 3.309 20 30 DGEDHN CC(C)(C)NC(=S)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000748781352 575606047 /nfs/dbraw/zinc/60/60/47/575606047.db2.gz VSMMIODIUDVJEE-AWEZNQCLSA-N 0 3 310.511 3.034 20 30 DGEDHN CCCCCCN(C)CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000749019421 575621998 /nfs/dbraw/zinc/62/19/98/575621998.db2.gz NZFIVRLTUKQUOZ-UHFFFAOYSA-N 0 3 313.445 3.176 20 30 DGEDHN C=C(Br)CN1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000749241726 575638241 /nfs/dbraw/zinc/63/82/41/575638241.db2.gz OQONRDNQIHXIOK-MCIONIFRSA-N 0 3 301.272 3.232 20 30 DGEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000752301191 575831788 /nfs/dbraw/zinc/83/17/88/575831788.db2.gz NHUHVXUKIROEJQ-JHJVBQTASA-N 0 3 313.426 3.060 20 30 DGEDHN CCCCCCCOc1cccc(CN[C@H]2CC(=O)N(C)C2)c1 ZINC000726797752 576042375 /nfs/dbraw/zinc/04/23/75/576042375.db2.gz WGKHISJPIPCBPT-KRWDZBQOSA-N 0 3 318.461 3.356 20 30 DGEDHN N#Cc1ccc(OCCCN2CCc3ccc(O)cc3CC2)cc1 ZINC000728569677 576188137 /nfs/dbraw/zinc/18/81/37/576188137.db2.gz JJBYEQFSPRYHOY-UHFFFAOYSA-N 0 3 322.408 3.134 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCCOC2CCCCC2)cc1 ZINC000728711523 576197021 /nfs/dbraw/zinc/19/70/21/576197021.db2.gz CGHVAKFRJTTYQV-OAHLLOKOSA-N 0 3 302.418 3.416 20 30 DGEDHN C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1CCC)C1CCN(C)CC1 ZINC000916615556 620639404 /nfs/dbraw/zinc/63/94/04/620639404.db2.gz YWXVRCLXGVWTTF-FUHWJXTLSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCN(C(=O)N[C@H]1CCCC[C@@H]1CCC)C1CCN(C)CC1 ZINC000916615558 620639549 /nfs/dbraw/zinc/63/95/49/620639549.db2.gz YWXVRCLXGVWTTF-WMZOPIPTSA-N 0 3 319.493 3.084 20 30 DGEDHN C#CCCN(CCOC)Cc1ccc(OC(F)(F)F)cc1 ZINC000852753126 620646378 /nfs/dbraw/zinc/64/63/78/620646378.db2.gz YKBBUCSAWKIZAO-UHFFFAOYSA-N 0 3 301.308 3.057 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@H](c1ccc(F)cc1)N(C)C ZINC000917557461 620675909 /nfs/dbraw/zinc/67/59/09/620675909.db2.gz NJFQGPBUNIBESK-IWEBCOIVSA-N 0 3 316.376 3.262 20 30 DGEDHN Brc1ccc(CC(=Nn2cnnc2)C2CCC2)cc1 ZINC000853254333 620682551 /nfs/dbraw/zinc/68/25/51/620682551.db2.gz RSISYWAXPKHGRX-UHFFFAOYSA-N 0 3 319.206 3.288 20 30 DGEDHN C=CCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C(C)C ZINC000918054313 620695214 /nfs/dbraw/zinc/69/52/14/620695214.db2.gz CKCRKAXGGQKJJA-GOSISDBHSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(C)C ZINC000918054315 620695298 /nfs/dbraw/zinc/69/52/98/620695298.db2.gz CKCRKAXGGQKJJA-SFHVURJKSA-N 0 3 315.461 3.430 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246637 617759658 /nfs/dbraw/zinc/75/96/58/617759658.db2.gz CWEKBNWUUZTJQY-KRWDZBQOSA-N 0 3 317.477 3.074 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247862 617759773 /nfs/dbraw/zinc/75/97/73/617759773.db2.gz VTKKZQYHYGXADG-QGZVFWFLSA-N 0 3 317.477 3.074 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248861 617760473 /nfs/dbraw/zinc/76/04/73/617760473.db2.gz NRFSUMYVALTIGP-QGZVFWFLSA-N 0 3 317.477 3.074 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCC(C#N)CC2)C1 ZINC000891851709 617912304 /nfs/dbraw/zinc/91/23/04/617912304.db2.gz BPQCFLBKKUOZQR-GOSISDBHSA-N 0 3 321.465 3.259 20 30 DGEDHN CC(C)(CCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000155069835 620763567 /nfs/dbraw/zinc/76/35/67/620763567.db2.gz QTGLPEHKWHMFIB-INIZCTEOSA-N 0 3 312.413 3.076 20 30 DGEDHN CCn1ccnc1[C@H](N[C@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000926414462 618005032 /nfs/dbraw/zinc/00/50/32/618005032.db2.gz ZIGSRUXNXHBPKY-GDBMZVCRSA-N 0 3 318.465 3.289 20 30 DGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000892497318 618082494 /nfs/dbraw/zinc/08/24/94/618082494.db2.gz QKXYBTHSIYSPGP-CYBMUJFWSA-N 0 3 314.385 3.335 20 30 DGEDHN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000920115933 620785206 /nfs/dbraw/zinc/78/52/06/620785206.db2.gz PUKQCOQBRUXWCA-KGLIPLIRSA-N 0 3 322.368 3.469 20 30 DGEDHN Cc1cc(C2(C(=O)C(C#N)c3nc(C(C)C)cs3)CC2)on1 ZINC000892802715 618312629 /nfs/dbraw/zinc/31/26/29/618312629.db2.gz PCYMLSJOFAOVCL-NSHDSACASA-N 0 3 315.398 3.471 20 30 DGEDHN Cn1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)c1C1CC1 ZINC000894964169 618504307 /nfs/dbraw/zinc/50/43/07/618504307.db2.gz LRGFFTSIINHZKP-SFHVURJKSA-N 0 3 306.413 3.336 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895018952 618514609 /nfs/dbraw/zinc/51/46/09/618514609.db2.gz VSIAZEHDWYSBBF-COXVUDFISA-N 0 3 318.392 3.185 20 30 DGEDHN Cc1coc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000893917053 618675435 /nfs/dbraw/zinc/67/54/35/618675435.db2.gz OPYNXHAIFQCZSO-UHFFFAOYSA-N 0 3 309.413 3.168 20 30 DGEDHN C#CCC1(O)CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000895674848 618814590 /nfs/dbraw/zinc/81/45/90/618814590.db2.gz GOAFDJSGSWZQSR-UHFFFAOYSA-N 0 3 313.372 3.436 20 30 DGEDHN C=CCC1(O)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000895834415 618839670 /nfs/dbraw/zinc/83/96/70/618839670.db2.gz KQUGSJYDNFYUIB-AATRIKPKSA-N 0 3 300.446 3.169 20 30 DGEDHN C=C(C)C[C@H](CO)NCc1ccc(Br)cc1F ZINC000883401617 618905206 /nfs/dbraw/zinc/90/52/06/618905206.db2.gz RTIPTNAYRGAJJX-GFCCVEGCSA-N 0 3 302.187 3.005 20 30 DGEDHN C=CCOc1cccc(CN2CCC(c3ccn(C)n3)CC2)c1 ZINC000896501886 618921487 /nfs/dbraw/zinc/92/14/87/618921487.db2.gz SXMRUOXHMRQWCQ-UHFFFAOYSA-N 0 3 311.429 3.365 20 30 DGEDHN C#CCC1([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCCCC1 ZINC000897336822 619062655 /nfs/dbraw/zinc/06/26/55/619062655.db2.gz PIAHHFQMGSUGFL-UHFFFAOYSA-N 0 3 318.373 3.125 20 30 DGEDHN C#CC[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000862445109 619109418 /nfs/dbraw/zinc/10/94/18/619109418.db2.gz LZYFJRATKTUGCH-LBPRGKRZSA-N 0 3 308.219 3.308 20 30 DGEDHN C#CC[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000862445109 619109420 /nfs/dbraw/zinc/10/94/20/619109420.db2.gz LZYFJRATKTUGCH-LBPRGKRZSA-N 0 3 308.219 3.308 20 30 DGEDHN CC[C@@](O)(CCC(F)(F)F)CNCc1ccc(C#N)cc1F ZINC000897523808 619145143 /nfs/dbraw/zinc/14/51/43/619145143.db2.gz XPYCIWNFMKKFGP-CQSZACIVSA-N 0 3 318.314 3.271 20 30 DGEDHN C#CCN(C(=S)Nc1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000899613907 619361094 /nfs/dbraw/zinc/36/10/94/619361094.db2.gz SXLUEVFCOCUFTI-UHFFFAOYSA-N 0 3 321.877 3.066 20 30 DGEDHN CC[C@@H](C#N)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000899671844 619364577 /nfs/dbraw/zinc/36/45/77/619364577.db2.gz FLZHZBIJMJEGJA-JTQLQIEISA-N 0 3 313.323 3.255 20 30 DGEDHN C=C(C)C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C(=O)[O-] ZINC000901678149 619532627 /nfs/dbraw/zinc/53/26/27/619532627.db2.gz BZBPEDRTHOMAAJ-HYVNUMGLSA-N 0 3 308.466 3.039 20 30 DGEDHN C=CCC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000901689591 619534085 /nfs/dbraw/zinc/53/40/85/619534085.db2.gz DCFOQRFMGMWPOL-XIRDDKMYSA-N 0 3 308.466 3.039 20 30 DGEDHN CNc1ccccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000902625724 619659643 /nfs/dbraw/zinc/65/96/43/619659643.db2.gz GFJBTTYLSLQNCW-UHFFFAOYSA-N 0 3 321.424 3.395 20 30 DGEDHN C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1cc(C#N)ccn1 ZINC000902720757 619665903 /nfs/dbraw/zinc/66/59/03/619665903.db2.gz NVROBHXWBSBEPD-YOEHRIQHSA-N 0 3 310.401 3.034 20 30 DGEDHN C[C@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1cc(C#N)ccn1 ZINC000902721289 619665924 /nfs/dbraw/zinc/66/59/24/619665924.db2.gz UXHZVZBNXPLFKB-UGSOOPFHSA-N 0 3 312.392 3.046 20 30 DGEDHN C[C@H](NC[C@H](c1cccc(F)c1)N(C)C)c1cc(C#N)ccn1 ZINC000902721288 619665927 /nfs/dbraw/zinc/66/59/27/619665927.db2.gz UXHZVZBNXPLFKB-SCLBCKFNSA-N 0 3 312.392 3.046 20 30 DGEDHN C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902810093 619680806 /nfs/dbraw/zinc/68/08/06/619680806.db2.gz PSTKERHWKFLOPC-YOEHRIQHSA-N 0 3 324.403 3.412 20 30 DGEDHN C=CCC[C@@H](NCc1ncccc1OC)[C@]1(C)CCCCO1 ZINC000903013809 619704614 /nfs/dbraw/zinc/70/46/14/619704614.db2.gz JGKBMNQGGPRHEU-MSOLQXFVSA-N 0 3 304.434 3.474 20 30 DGEDHN C[C@H](NC[C@@H]1CSc2ccccc2O1)c1cc(C#N)ccn1 ZINC000903035801 619705070 /nfs/dbraw/zinc/70/50/70/619705070.db2.gz VBNLPQUHEGIXQS-GXTWGEPZSA-N 0 3 311.410 3.157 20 30 DGEDHN CC(C)[C@H](CN[C@@H](C)c1cc(C#N)ccn1)C(=O)OC(C)(C)C ZINC000903045863 619710337 /nfs/dbraw/zinc/71/03/37/619710337.db2.gz XDOYUQAMHZOVGR-ZFWWWQNUSA-N 0 3 317.433 3.218 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(C#N)ccn3)C2)cc1 ZINC000903081586 619712779 /nfs/dbraw/zinc/71/27/79/619712779.db2.gz ONPFTOPGUOCTAG-QFBILLFUSA-N 0 3 320.440 3.187 20 30 DGEDHN C[C@@H](NC[C@@]1(O)CCCC(C)(C)CC1)c1cc(C#N)ccn1 ZINC000903073158 619715426 /nfs/dbraw/zinc/71/54/26/619715426.db2.gz NXKIGGBNXIEMFV-RDTXWAMCSA-N 0 3 301.434 3.325 20 30 DGEDHN C=CCC[C@@H](NCC(=O)N(CC)c1ccccc1)[C@H]1CCCO1 ZINC000903194554 619734000 /nfs/dbraw/zinc/73/40/00/619734000.db2.gz FALVTFMJUSWTPZ-QZTJIDSGSA-N 0 3 316.445 3.143 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CC2)CC(C)(C)C1 ZINC000903220322 619741034 /nfs/dbraw/zinc/74/10/34/619741034.db2.gz LRZGEJTWMGEHMC-AWEZNQCLSA-N 0 3 321.465 3.305 20 30 DGEDHN C=CCC[C@H](NC[C@]1(c2cnn(C)c2)CCCO1)c1ccco1 ZINC000903360879 619765656 /nfs/dbraw/zinc/76/56/56/619765656.db2.gz OLICMWGYQLAVSG-WMZOPIPTSA-N 0 3 315.417 3.316 20 30 DGEDHN Cc1nc2ccccn2c1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000903422492 619776617 /nfs/dbraw/zinc/77/66/17/619776617.db2.gz MWSFHYWNRVJPSU-QGZVFWFLSA-N 0 3 302.381 3.292 20 30 DGEDHN C[N@@H+]1CC[C@@H](CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904178680 619888059 /nfs/dbraw/zinc/88/80/59/619888059.db2.gz RHTMJOZTBGYTSY-JTQLQIEISA-N 0 3 317.216 3.053 20 30 DGEDHN C[N@H+]1CC[C@@H](CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904178680 619888062 /nfs/dbraw/zinc/88/80/62/619888062.db2.gz RHTMJOZTBGYTSY-JTQLQIEISA-N 0 3 317.216 3.053 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@]2(OC)CCSC2)c([O-])c1 ZINC000905002012 619964195 /nfs/dbraw/zinc/96/41/95/619964195.db2.gz DJURFMFBYNLAPG-SZLZGVTBSA-N 0 3 322.474 3.179 20 30 DGEDHN Cc1ccc(OC(F)F)c(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905081155 619968349 /nfs/dbraw/zinc/96/83/49/619968349.db2.gz PGNZRYRTZMPVJY-VKRGWIQLSA-N 0 3 305.284 3.029 20 30 DGEDHN CC1/C(=C/c2ccccc2CC(F)(F)F)C(=O)c2ncnn21 ZINC000905085840 619968661 /nfs/dbraw/zinc/96/86/61/619968661.db2.gz PMEFFORRHNDMKZ-DKBJHAQFSA-N 0 3 307.275 3.224 20 30 DGEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C(C)(C)C ZINC000905083846 619968683 /nfs/dbraw/zinc/96/86/83/619968683.db2.gz GJAYGSIBPQQGPZ-ZWSXMNCCSA-N 0 3 311.385 3.425 20 30 DGEDHN Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1CN(C)C ZINC000906084386 620055420 /nfs/dbraw/zinc/05/54/20/620055420.db2.gz ZFQPJWXIPALUJH-UHFFFAOYSA-N 0 3 321.424 3.418 20 30 DGEDHN CCC(=O)c1cccc(C#N)c1OCC[C@H]1CCCCN1C ZINC000906507432 620101521 /nfs/dbraw/zinc/10/15/21/620101521.db2.gz CFFGXEWEAMXIQG-OAHLLOKOSA-N 0 3 300.402 3.404 20 30 DGEDHN C[C@@H](NC(=O)c1ccsc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000907445186 620157904 /nfs/dbraw/zinc/15/79/04/620157904.db2.gz AWBRCBWCCHASDP-WBMJQRKESA-N 0 3 313.426 3.041 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000912143523 620369800 /nfs/dbraw/zinc/36/98/00/620369800.db2.gz LIXAHTHVJGWDOC-ZIAGYGMSSA-N 0 3 308.422 3.162 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000912164182 620371022 /nfs/dbraw/zinc/37/10/22/620371022.db2.gz WBZVWRUBDNRXGG-MRXNPFEDSA-N 0 3 312.417 3.111 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Br)c1C ZINC000912249147 620376299 /nfs/dbraw/zinc/37/62/99/620376299.db2.gz VEYWHUWWUPMGHH-GFCCVEGCSA-N 0 3 311.223 3.380 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000912330016 620378583 /nfs/dbraw/zinc/37/85/83/620378583.db2.gz BMKQLWYIEQOEFS-INIZCTEOSA-N 0 3 308.372 3.139 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000912373199 620383501 /nfs/dbraw/zinc/38/35/01/620383501.db2.gz JUUPNRZCPFOQRU-FZMZJTMJSA-N 0 3 312.360 3.149 20 30 DGEDHN C#CCSCCNCc1cc(Br)ccc1F ZINC000152927338 620529436 /nfs/dbraw/zinc/52/94/36/620529436.db2.gz NQPVUNLCSKHERC-UHFFFAOYSA-N 0 3 302.212 3.044 20 30 DGEDHN COc1cccc(O)c1/C=N\C[C@@H](C)N1CCc2ccccc2C1 ZINC000914558464 620541934 /nfs/dbraw/zinc/54/19/34/620541934.db2.gz VZRSCJSZVUEQAM-PJMHOZITSA-N 0 3 324.424 3.267 20 30 DGEDHN Cc1cc(C(F)(F)F)c(C#N)c(SCCN2CCCC2)n1 ZINC000916145857 620619203 /nfs/dbraw/zinc/61/92/03/620619203.db2.gz JTMBMWFLJRLSIM-UHFFFAOYSA-N 0 3 315.364 3.468 20 30 DGEDHN CCOCCCCNCc1cc(C#N)ccc1Br ZINC000921560429 620909513 /nfs/dbraw/zinc/90/95/13/620909513.db2.gz UJFVZMRPILRFKA-UHFFFAOYSA-N 0 3 311.223 3.227 20 30 DGEDHN C[C@@H](COc1ccc(F)cc1F)NCc1csc(C#N)c1 ZINC000921591682 620911140 /nfs/dbraw/zinc/91/11/40/620911140.db2.gz XGKSUCYEABKUKU-JTQLQIEISA-N 0 3 308.353 3.455 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)C2CCOCC2)c([O-])c1 ZINC000122892808 620917422 /nfs/dbraw/zinc/91/74/22/620917422.db2.gz LIGWMZYGTNFIQO-NFECSFHCSA-N 0 3 304.434 3.472 20 30 DGEDHN CCc1nn(C)c(CC)c1CNCc1c(C)cc(C#N)cc1C ZINC000921932912 620970240 /nfs/dbraw/zinc/97/02/40/620970240.db2.gz SYQSHDUHMINTQH-UHFFFAOYSA-N 0 3 310.445 3.323 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)NCc2csc(C#N)c2)cc1 ZINC000921961837 620974089 /nfs/dbraw/zinc/97/40/89/620974089.db2.gz WWAQLXHIANBFFD-YVEFUNNKSA-N 0 3 316.426 3.494 20 30 DGEDHN CC1CCC2(CC1)OC[C@@H](CNCc1csc(C#N)c1)O2 ZINC000921972534 620975528 /nfs/dbraw/zinc/97/55/28/620975528.db2.gz ASYAHSBEUXEUTN-CXOJTPOUSA-N 0 3 306.431 3.031 20 30 DGEDHN N#Cc1ccc(Br)c(CNCC[C@H]2CCCCO2)c1 ZINC000921983651 620976489 /nfs/dbraw/zinc/97/64/89/620976489.db2.gz XJQLXMOCBWRZDG-CQSZACIVSA-N 0 3 323.234 3.370 20 30 DGEDHN Cc1cc(CO)cc(C)c1CNCc1cc(C#N)ccc1N(C)C ZINC000922561607 621055948 /nfs/dbraw/zinc/05/59/48/621055948.db2.gz DEXDUEIODDFZAJ-UHFFFAOYSA-N 0 3 323.440 3.023 20 30 DGEDHN CC[C@@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000922599606 621063533 /nfs/dbraw/zinc/06/35/33/621063533.db2.gz NMNHFFXUCDRYEM-ZDUSSCGKSA-N 0 3 306.381 3.155 20 30 DGEDHN Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1C#N ZINC000922758725 621095254 /nfs/dbraw/zinc/09/52/54/621095254.db2.gz HRAADWUMBXIUNN-OAHLLOKOSA-N 0 3 305.381 3.447 20 30 DGEDHN C#C[C@@H](N[C@@H]1CCCOCC1)c1ccc(Br)cc1 ZINC000857707360 621114889 /nfs/dbraw/zinc/11/48/89/621114889.db2.gz LTGGOTFJVLFYEB-HUUCEWRRSA-N 0 3 308.219 3.282 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cnn(C)c1 ZINC000922893779 621121559 /nfs/dbraw/zinc/12/15/59/621121559.db2.gz IOTSGVBTRGVOEK-RDTXWAMCSA-N 0 3 312.417 3.198 20 30 DGEDHN CC(C)[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cnn(C)c1 ZINC000922893772 621121569 /nfs/dbraw/zinc/12/15/69/621121569.db2.gz IOTSGVBTRGVOEK-KBXCAEBGSA-N 0 3 312.417 3.198 20 30 DGEDHN C#CCC1(NCc2cnc(-c3ccccc3OC)nc2)CCC1 ZINC000922997826 621145605 /nfs/dbraw/zinc/14/56/05/621145605.db2.gz MVIGZQBSOHKWPJ-UHFFFAOYSA-N 0 3 307.397 3.188 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858022985 621146158 /nfs/dbraw/zinc/14/61/58/621146158.db2.gz DHSLBRVSWNZAQZ-ZTFGCOKTSA-N 0 3 311.429 3.494 20 30 DGEDHN Cc1ccc(O[C@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)nc1 ZINC000858036725 621147346 /nfs/dbraw/zinc/14/73/46/621147346.db2.gz GZRUCWDQKXVZLU-QAPCUYQASA-N 0 3 307.397 3.476 20 30 DGEDHN Cc1ccc(O[C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000858040500 621147691 /nfs/dbraw/zinc/14/76/91/621147691.db2.gz OSQZQYQKAXAAQG-QAPCUYQASA-N 0 3 307.397 3.476 20 30 DGEDHN C#CC[C@H](COC)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000858334640 621177049 /nfs/dbraw/zinc/17/70/49/621177049.db2.gz DJNILDAXOXORBI-OAHLLOKOSA-N 0 3 300.427 3.246 20 30 DGEDHN C=CCN1CCC(Nc2cc(O[C@H](C)CC)nc(C)n2)CC1 ZINC000858400597 621185894 /nfs/dbraw/zinc/18/58/94/621185894.db2.gz KYYDVERXSWIIQM-CYBMUJFWSA-N 0 3 304.438 3.025 20 30 DGEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000116593534 621255469 /nfs/dbraw/zinc/25/54/69/621255469.db2.gz IJBBPAGBMYNDAR-HOCLYGCPSA-N 0 3 321.380 3.231 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(SC)s2)CC1 ZINC000859250958 621264785 /nfs/dbraw/zinc/26/47/85/621264785.db2.gz RVORTFTXNWRPQA-XQRVVYSFSA-N 0 3 322.499 3.250 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COC(C)(C)CC)cc1 ZINC000838788886 621281043 /nfs/dbraw/zinc/28/10/43/621281043.db2.gz WBGWLHRCTGLEJO-HNNXBMFYSA-N 0 3 316.401 3.102 20 30 DGEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@H](O)C2CC2)cc1 ZINC000838880074 621289217 /nfs/dbraw/zinc/28/92/17/621289217.db2.gz ZHUUAOCWLBCBLA-FQEVSTJZSA-N 0 3 324.399 3.470 20 30 DGEDHN CO[C@H]1C[C@H](NCc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000839190507 621346285 /nfs/dbraw/zinc/34/62/85/621346285.db2.gz HAWQVVIZJKQQIK-HOTGVXAUSA-N 0 3 320.820 3.290 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860094917 621365241 /nfs/dbraw/zinc/36/52/41/621365241.db2.gz CFRIVBMMFASMDV-CQSZACIVSA-N 0 3 317.433 3.212 20 30 DGEDHN Cc1cc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)ccc1C#N ZINC000860097345 621365985 /nfs/dbraw/zinc/36/59/85/621365985.db2.gz REHSBNMPGSPWGB-CQSZACIVSA-N 0 3 317.433 3.212 20 30 DGEDHN Cc1cc(F)ccc1[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000860106654 621367555 /nfs/dbraw/zinc/36/75/55/621367555.db2.gz OKHLRGKSJFBXQG-HXUWFJFHSA-N 0 3 324.399 3.292 20 30 DGEDHN COc1ccc([C@H](NCc2ccc(OCC#N)cc2)C2CC2)cn1 ZINC000860206264 621381687 /nfs/dbraw/zinc/38/16/87/621381687.db2.gz GRFGIFVFVMDWIG-LJQANCHMSA-N 0 3 323.396 3.233 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860463873 621408206 /nfs/dbraw/zinc/40/82/06/621408206.db2.gz JCXSMEGQZJVBPZ-ZIAGYGMSSA-N 0 3 304.390 3.179 20 30 DGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000860472512 621408570 /nfs/dbraw/zinc/40/85/70/621408570.db2.gz BNPSGFLFPRJNLJ-CABCVRRESA-N 0 3 318.804 3.211 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)c2ccco2)c1 ZINC000860691011 621432745 /nfs/dbraw/zinc/43/27/45/621432745.db2.gz IPXXEHUEGOIGQR-GDBMZVCRSA-N 0 3 324.380 3.107 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H](C)c2ccco2)c1 ZINC000860691013 621432867 /nfs/dbraw/zinc/43/28/67/621432867.db2.gz IPXXEHUEGOIGQR-HOCLYGCPSA-N 0 3 324.380 3.107 20 30 DGEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000860779475 621442283 /nfs/dbraw/zinc/44/22/83/621442283.db2.gz CGSIVYDDHUIHTE-BXUZGUMPSA-N 0 3 312.291 3.092 20 30 DGEDHN C=CC[C@@H](C(=O)OC[C@@H]1CCCN1CCOC)c1ccccc1 ZINC000861036869 621469589 /nfs/dbraw/zinc/46/95/89/621469589.db2.gz UEENZQLRCPQHNT-ZWKOTPCHSA-N 0 3 317.429 3.000 20 30 DGEDHN C[C@@H]1CC(N=Nc2ncnc3c4ccccc4oc32)CN1C1CC1 ZINC000753956390 621474106 /nfs/dbraw/zinc/47/41/06/621474106.db2.gz SKFKZEFMBITOMV-LLVKDONJSA-N 0 3 321.384 3.401 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccnc(N(C)C)c1 ZINC000754015204 621480170 /nfs/dbraw/zinc/48/01/70/621480170.db2.gz SLLJNOQDXJFTMB-UHFFFAOYSA-N 0 3 308.429 3.430 20 30 DGEDHN C[C@]1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCOC1 ZINC000755663845 621584370 /nfs/dbraw/zinc/58/43/70/621584370.db2.gz GSSZUPJQLVKWMA-BONVTDFDSA-N 0 3 304.346 3.038 20 30 DGEDHN C#CC[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862445199 621591100 /nfs/dbraw/zinc/59/11/00/621591100.db2.gz NZOFMCMAIADDTH-NSHDSACASA-N 0 3 324.218 3.009 20 30 DGEDHN C#CC[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862445199 621591102 /nfs/dbraw/zinc/59/11/02/621591102.db2.gz NZOFMCMAIADDTH-NSHDSACASA-N 0 3 324.218 3.009 20 30 DGEDHN C#CC[C@H]1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000862446741 621591732 /nfs/dbraw/zinc/59/17/32/621591732.db2.gz CLMVBKHRAIRHFB-LBPRGKRZSA-N 0 3 321.446 3.335 20 30 DGEDHN C#CC[C@H]1CCN(Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000862447545 621591814 /nfs/dbraw/zinc/59/18/14/621591814.db2.gz NVZQOGXVYBAWPU-INIZCTEOSA-N 0 3 322.408 3.217 20 30 DGEDHN CN(CCC#N)c1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000862487145 621595267 /nfs/dbraw/zinc/59/52/67/621595267.db2.gz NGJAHNLPQLCOEJ-UHFFFAOYSA-N 0 3 309.413 3.304 20 30 DGEDHN CC[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000755996106 621609077 /nfs/dbraw/zinc/60/90/77/621609077.db2.gz PNEMAJKXWJJTDY-OLZOCXBDSA-N 0 3 313.426 3.204 20 30 DGEDHN C=C(C)[C@H](CC(=O)O[C@H]1CCN(Cc2ccccc2)C1)OCC ZINC000756557485 621648617 /nfs/dbraw/zinc/64/86/17/621648617.db2.gz IFDWQRVIFGGKOH-ROUUACIJSA-N 0 3 317.429 3.175 20 30 DGEDHN C#CC[C@H](Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000863373948 621668151 /nfs/dbraw/zinc/66/81/51/621668151.db2.gz HFZJPEMUXWXUNJ-QUCCMNQESA-N 0 3 324.468 3.144 20 30 DGEDHN C#CC[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1 ZINC000756998503 621678262 /nfs/dbraw/zinc/67/82/62/621678262.db2.gz XDUJYOOFNAJIMU-GOSISDBHSA-N 0 3 320.371 3.261 20 30 DGEDHN C[C@H](CCC#N)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000839539093 621692947 /nfs/dbraw/zinc/69/29/47/621692947.db2.gz JAFORLRTBZVMJK-ZIAGYGMSSA-N 0 3 319.424 3.130 20 30 DGEDHN C#C[C@H](CC)NCC1=Cc2cc(Br)ccc2OC1 ZINC000809686030 621705916 /nfs/dbraw/zinc/70/59/16/621705916.db2.gz ISVHXQRHYXAWNR-CQSZACIVSA-N 0 3 306.203 3.226 20 30 DGEDHN CN(CCC1CCOCC1)Cc1cc(Cl)ccc1OCC#N ZINC000757842286 621742364 /nfs/dbraw/zinc/74/23/64/621742364.db2.gz XJYFRJASLCQFDP-UHFFFAOYSA-N 0 3 322.836 3.491 20 30 DGEDHN C#CCNC(=S)Nc1ccc2c(c1)CN([C@H](C)CCC)C2 ZINC000758214284 621767531 /nfs/dbraw/zinc/76/75/31/621767531.db2.gz FROCQHQEZUKMTF-CYBMUJFWSA-N 0 3 301.459 3.110 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2nc(C(C)(C)C)cs2)CC1 ZINC000865194557 621872714 /nfs/dbraw/zinc/87/27/14/621872714.db2.gz YWCXMFPHZAEBTR-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN CCOC(=O)C[C@@H](C)C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000760229650 621922515 /nfs/dbraw/zinc/92/25/15/621922515.db2.gz SNICMOKQVROAOV-NFECSFHCSA-N 0 3 320.433 3.247 20 30 DGEDHN CCOC(=O)CC[C@H](C)/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000760227933 621922613 /nfs/dbraw/zinc/92/26/13/621922613.db2.gz CCUPTWWFIYELJU-ITRAFESCSA-N 0 3 320.433 3.389 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CC(C)C)CC2)CC1 ZINC000760755012 621963818 /nfs/dbraw/zinc/96/38/18/621963818.db2.gz HTZZLYODHTXYIG-UHFFFAOYSA-N 0 3 321.509 3.495 20 30 DGEDHN Cn1cc(CN[C@@H]2CCCC[C@@H]2F)c(-c2ccc(C#N)cc2)n1 ZINC000865699646 621979876 /nfs/dbraw/zinc/97/98/76/621979876.db2.gz YEHBLOOPGLHZQE-DLBZAZTESA-N 0 3 312.392 3.329 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000865725095 621983954 /nfs/dbraw/zinc/98/39/54/621983954.db2.gz DERSGLDFXFPCQP-OAHLLOKOSA-N 0 3 322.408 3.340 20 30 DGEDHN C=C(C)COCCNCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000761986497 622043428 /nfs/dbraw/zinc/04/34/28/622043428.db2.gz ORQKVKBGRBQYDJ-UHFFFAOYSA-N 0 3 321.421 3.111 20 30 DGEDHN C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C#N)c1[O-] ZINC000866279474 622083847 /nfs/dbraw/zinc/08/38/47/622083847.db2.gz UYXWZIGQBBRBSS-AWEZNQCLSA-N 0 3 313.445 3.321 20 30 DGEDHN C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cccc(C#N)c1[O-] ZINC000866338397 622097487 /nfs/dbraw/zinc/09/74/87/622097487.db2.gz RBXOQAOFWULWOX-LSDHHAIUSA-N 0 3 301.434 3.179 20 30 DGEDHN COCC#CCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000762925426 622111045 /nfs/dbraw/zinc/11/10/45/622111045.db2.gz FZHHLHIFPQYNBN-CVEARBPZSA-N 0 3 307.459 3.066 20 30 DGEDHN C[C@H](NCc1ccc2c(c1)COC2)c1ccc(OCC#N)cc1 ZINC000763431236 622145601 /nfs/dbraw/zinc/14/56/01/622145601.db2.gz PFXQKPUJIXPSIO-AWEZNQCLSA-N 0 3 308.381 3.470 20 30 DGEDHN CC[C@@H](C(=O)N(CCC#N)c1ccc(C)cc1)N(CC)CC ZINC000764033264 622175700 /nfs/dbraw/zinc/17/57/00/622175700.db2.gz WDDVNPINJJUDNN-KRWDZBQOSA-N 0 3 301.434 3.362 20 30 DGEDHN C#CCCOc1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000768198209 622444926 /nfs/dbraw/zinc/44/49/26/622444926.db2.gz OIFIYLIPGXHAON-UHFFFAOYSA-N 0 3 323.392 3.449 20 30 DGEDHN C#CCOc1ccc(CN(CCCO)Cc2ccccc2)cc1 ZINC000769326299 622518003 /nfs/dbraw/zinc/51/80/03/622518003.db2.gz IGZUAJOGWRIADM-UHFFFAOYSA-N 0 3 309.409 3.083 20 30 DGEDHN CCN(CC)Cc1ccc(C(=O)Oc2ccc(C#N)cc2F)o1 ZINC000769736428 622555409 /nfs/dbraw/zinc/55/54/09/622555409.db2.gz BDEQLLGHRIOPSE-UHFFFAOYSA-N 0 3 316.332 3.351 20 30 DGEDHN N#Cc1ccc(CNN=C2CCCC[C@@H]2N2CCCCC2)cc1 ZINC000769816142 622563900 /nfs/dbraw/zinc/56/39/00/622563900.db2.gz SCXPRESYXXHCCK-IBGZPJMESA-N 0 3 310.445 3.432 20 30 DGEDHN Cc1csc(C(C#N)C(=O)c2ccc(N(C)C)c(F)c2)n1 ZINC000770091568 622600054 /nfs/dbraw/zinc/60/00/54/622600054.db2.gz BWFGEMXMCCFATF-NSHDSACASA-N 0 3 303.362 3.147 20 30 DGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000123682511 622641035 /nfs/dbraw/zinc/64/10/35/622641035.db2.gz VDAMDZYYRKEJRW-LBPRGKRZSA-N 0 3 324.771 3.420 20 30 DGEDHN C=CCC[C@H](NC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000771852390 622803514 /nfs/dbraw/zinc/80/35/14/622803514.db2.gz ZUNHXOHNFGKCGS-KRWDZBQOSA-N 0 3 317.502 3.252 20 30 DGEDHN C=CCC[C@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000772781601 622939019 /nfs/dbraw/zinc/93/90/19/622939019.db2.gz IRVHLULPEMAYLS-WFASDCNBSA-N 0 3 305.349 3.077 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000772920189 622953832 /nfs/dbraw/zinc/95/38/32/622953832.db2.gz DRFCOYLRILSMQL-PIGZYNQJSA-N 0 3 302.324 3.048 20 30 DGEDHN C#CC[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000773107401 622984601 /nfs/dbraw/zinc/98/46/01/622984601.db2.gz NTTNWCHSXAAYLS-KXBFYZLASA-N 0 3 317.396 3.078 20 30 DGEDHN C=CCC(C)(C)CNCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873128384 623043031 /nfs/dbraw/zinc/04/30/31/623043031.db2.gz MKECUVVZDFOTHL-UHFFFAOYSA-N 0 3 314.433 3.027 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)cc1 ZINC000773978759 623096145 /nfs/dbraw/zinc/09/61/45/623096145.db2.gz VMBXCDROMDVJGS-SWLSCSKDSA-N 0 3 316.401 3.415 20 30 DGEDHN Cc1csc(CCC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000774051800 623102845 /nfs/dbraw/zinc/10/28/45/623102845.db2.gz FFACOQQVSNYRMN-LLVKDONJSA-N 0 3 311.366 3.402 20 30 DGEDHN N#Cc1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)o1 ZINC000873361467 623121337 /nfs/dbraw/zinc/12/13/37/623121337.db2.gz UMKNYZVXGLTVHB-UHFFFAOYSA-N 0 3 324.380 3.107 20 30 DGEDHN COC(=O)Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000775336008 623255597 /nfs/dbraw/zinc/25/55/97/623255597.db2.gz XKYNYMGJGFJIGO-AWEZNQCLSA-N 0 3 308.381 3.125 20 30 DGEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccc2ccccc2c1 ZINC000776076852 623372574 /nfs/dbraw/zinc/37/25/74/623372574.db2.gz JBOXSBPEXNRDNU-GOSISDBHSA-N 0 3 320.392 3.174 20 30 DGEDHN Cc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776162833 623385994 /nfs/dbraw/zinc/38/59/94/623385994.db2.gz MPRJUAJECUXYEE-KXBFYZLASA-N 0 3 310.397 3.282 20 30 DGEDHN c1ccc(C(CC2CCC2)=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000776188294 623392974 /nfs/dbraw/zinc/39/29/74/623392974.db2.gz YQTFWAWURXMCQJ-IAGOWNOFSA-N 0 3 310.445 3.441 20 30 DGEDHN C#CC[C@H](NCCC(=O)OCc1ccccc1)c1ccccc1 ZINC000776605902 623446298 /nfs/dbraw/zinc/44/62/98/623446298.db2.gz RISFVHDCCZXXCB-IBGZPJMESA-N 0 3 307.393 3.474 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)C[C@@H](C)O ZINC000778171913 623619444 /nfs/dbraw/zinc/61/94/44/623619444.db2.gz CIFNAYHSUWYZSP-CYBMUJFWSA-N 0 3 309.837 3.239 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)C[C@H](C)O ZINC000778171914 623619520 /nfs/dbraw/zinc/61/95/20/623619520.db2.gz CIFNAYHSUWYZSP-ZDUSSCGKSA-N 0 3 309.837 3.239 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000876554638 623642592 /nfs/dbraw/zinc/64/25/92/623642592.db2.gz QUONRDNKAOXRON-OAHLLOKOSA-N 0 3 308.853 3.412 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000876560945 623644513 /nfs/dbraw/zinc/64/45/13/623644513.db2.gz IIICATROBZIFRW-JTQLQIEISA-N 0 3 309.822 3.322 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000876572410 623648677 /nfs/dbraw/zinc/64/86/77/623648677.db2.gz XJDQUALDPHAHSE-CHWSQXEVSA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000876577130 623649675 /nfs/dbraw/zinc/64/96/75/623649675.db2.gz RDVKYZORTZYLED-YPMHNXCESA-N 0 3 306.793 3.422 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(Br)c1 ZINC000876577141 623649881 /nfs/dbraw/zinc/64/98/81/623649881.db2.gz RNFUIIIYHCUJDG-NSHDSACASA-N 0 3 317.614 3.166 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000876587883 623652586 /nfs/dbraw/zinc/65/25/86/623652586.db2.gz BHGSENSCEZUOHZ-GWCFXTLKSA-N 0 3 301.217 3.329 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccccc1Cl ZINC000876595015 623654970 /nfs/dbraw/zinc/65/49/70/623654970.db2.gz XZXALVIXZUQVDV-ZDUSSCGKSA-N 0 3 301.217 3.158 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000876622972 623662360 /nfs/dbraw/zinc/66/23/60/623662360.db2.gz RZMDATOWAGXUQR-AWEZNQCLSA-N 0 3 310.800 3.181 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000876628702 623664052 /nfs/dbraw/zinc/66/40/52/623664052.db2.gz SMTPJSUXLOHNTC-ZDUSSCGKSA-N 0 3 315.244 3.204 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000876628155 623664086 /nfs/dbraw/zinc/66/40/86/623664086.db2.gz GTCDKAXLGMTTLM-HUUCEWRRSA-N 0 3 306.837 3.385 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000876637388 623666037 /nfs/dbraw/zinc/66/60/37/623666037.db2.gz MYQDYABRSDHTNP-ZDUSSCGKSA-N 0 3 322.811 3.454 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000876639485 623667064 /nfs/dbraw/zinc/66/70/64/623667064.db2.gz GDEOMJZHZNVPFE-NSHDSACASA-N 0 3 318.751 3.047 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000876646033 623669450 /nfs/dbraw/zinc/66/94/50/623669450.db2.gz PUIWMCWTUPTXAB-ZDUSSCGKSA-N 0 3 315.244 3.247 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)CCc1cccc(F)c1 ZINC000876663856 623674057 /nfs/dbraw/zinc/67/40/57/623674057.db2.gz GLSBGNYPEVDWRY-HNNXBMFYSA-N 0 3 312.816 3.077 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)CCc1cccc(F)c1 ZINC000876663857 623674355 /nfs/dbraw/zinc/67/43/55/623674355.db2.gz GLSBGNYPEVDWRY-OAHLLOKOSA-N 0 3 312.816 3.077 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC)CCc1ccccc1 ZINC000876680546 623680407 /nfs/dbraw/zinc/68/04/07/623680407.db2.gz FLTAWNAKNCTBJQ-HOTGVXAUSA-N 0 3 308.853 3.374 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000876679823 623680498 /nfs/dbraw/zinc/68/04/98/623680498.db2.gz UDNIUYMCQHPZBC-HZPDHXFCSA-N 0 3 306.837 3.437 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)C(C)(C)c1ccccc1 ZINC000876679517 623680595 /nfs/dbraw/zinc/68/05/95/623680595.db2.gz QSKSCCATUADHNM-HUUCEWRRSA-N 0 3 308.853 3.329 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000876691032 623684007 /nfs/dbraw/zinc/68/40/07/623684007.db2.gz YFKVTESSCSCPNC-CABCVRRESA-N 0 3 310.800 3.349 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC)c1ccc(F)cc1F ZINC000876697924 623684630 /nfs/dbraw/zinc/68/46/30/623684630.db2.gz KHDQDLAOUHARGI-KBPBESRZSA-N 0 3 316.779 3.392 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000876699848 623686189 /nfs/dbraw/zinc/68/61/89/623686189.db2.gz KGERCAAZQZPETE-KWQFWETISA-N 0 3 305.180 3.126 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000876707438 623687031 /nfs/dbraw/zinc/68/70/31/623687031.db2.gz GMKKPUMVYNYVBD-HNNXBMFYSA-N 0 3 307.825 3.085 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000876712357 623688110 /nfs/dbraw/zinc/68/81/10/623688110.db2.gz PGGSKHDJLABRSN-MRXNPFEDSA-N 0 3 321.852 3.331 20 30 DGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1cccc(C#N)c1 ZINC000779121853 623732266 /nfs/dbraw/zinc/73/22/66/623732266.db2.gz CRNAIXFXEBOXCN-UHFFFAOYSA-N 0 3 300.402 3.254 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCCNc2ccccc2)c1 ZINC000876875400 623734591 /nfs/dbraw/zinc/73/45/91/623734591.db2.gz UFNDYZAILRELFN-UHFFFAOYSA-N 0 3 300.793 3.198 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000876880465 623734715 /nfs/dbraw/zinc/73/47/15/623734715.db2.gz JQHGCDDOUSHUTE-DLBZAZTESA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000876888536 623737443 /nfs/dbraw/zinc/73/74/43/623737443.db2.gz DFNHOUCTNPLTGG-IRXDYDNUSA-N 0 3 320.864 3.470 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)cc1SC ZINC000876959529 623755003 /nfs/dbraw/zinc/75/50/03/623755003.db2.gz MDJGEYLGZCMNSH-SECBINFHSA-N 0 3 305.230 3.470 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCOC3(CCCC3)C2)c1 ZINC000877087901 623788310 /nfs/dbraw/zinc/78/83/10/623788310.db2.gz WFFBOSMRXPAQMD-AWEZNQCLSA-N 0 3 305.809 3.188 20 30 DGEDHN N#Cc1cnc(Cl)c(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000877090074 623788965 /nfs/dbraw/zinc/78/89/65/623788965.db2.gz ZHPIMRYCZWOTPW-BRWVUGGUSA-N 0 3 309.800 3.282 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCC[C@H]2CCCC[C@@H]2O)c1 ZINC000877098018 623791393 /nfs/dbraw/zinc/79/13/93/623791393.db2.gz IZHNZZSBDKFSEX-HIFRSBDPSA-N 0 3 307.825 3.028 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000877119250 623794916 /nfs/dbraw/zinc/79/49/16/623794916.db2.gz WDPGLYIVWDRAOG-ZIAGYGMSSA-N 0 3 313.228 3.304 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2F)C1(C)C ZINC000877255970 623837077 /nfs/dbraw/zinc/83/70/77/623837077.db2.gz LHGPZLOQGKATMV-HIFRSBDPSA-N 0 3 324.827 3.390 20 30 DGEDHN C=C[C@H](CC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877341318 623855479 /nfs/dbraw/zinc/85/54/79/623855479.db2.gz SYEWIIURSIITGE-UZLBHIALSA-N 0 3 320.436 3.177 20 30 DGEDHN CCN(CC)c1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1 ZINC000780246198 623892962 /nfs/dbraw/zinc/89/29/62/623892962.db2.gz FVORKFRQRPIXCC-MRXNPFEDSA-N 0 3 303.450 3.414 20 30 DGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000780384327 623919128 /nfs/dbraw/zinc/91/91/28/623919128.db2.gz HBFFNVJSHVWBIE-BYCMXARLSA-N 0 3 312.335 3.254 20 30 DGEDHN C#C[C@H](NCc1cc(Cl)cc(Cl)c1N)C1CCOCC1 ZINC000877636708 623972681 /nfs/dbraw/zinc/97/26/81/623972681.db2.gz AYQJAZQJWLRZJV-AWEZNQCLSA-N 0 3 313.228 3.094 20 30 DGEDHN COc1cccc(CN2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000877705711 624000285 /nfs/dbraw/zinc/00/02/85/624000285.db2.gz QIAZFOAQLRVEMO-UHFFFAOYSA-N 0 3 315.461 3.143 20 30 DGEDHN C[C@@H](CCC#N)CNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000877732337 624007375 /nfs/dbraw/zinc/00/73/75/624007375.db2.gz JNGHIHYUAOQCMF-NSHDSACASA-N 0 3 314.355 3.268 20 30 DGEDHN COCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(C)C ZINC000877966428 624115488 /nfs/dbraw/zinc/11/54/88/624115488.db2.gz KNSASSFUWLRAGE-LJQANCHMSA-N 0 3 316.445 3.031 20 30 DGEDHN CN(C[C@@H]1CCCN(CC2(CC#N)CC2)C1)C(=O)OC(C)(C)C ZINC000878022289 624138294 /nfs/dbraw/zinc/13/82/94/624138294.db2.gz YGNPIASCJDKQFJ-HNNXBMFYSA-N 0 3 321.465 3.259 20 30 DGEDHN COC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCC1 ZINC000781772678 624144576 /nfs/dbraw/zinc/14/45/76/624144576.db2.gz UWNGXTQTKKUSCR-SNVBAGLBSA-N 0 3 319.311 3.177 20 30 DGEDHN C[C@H](CC#N)N(C)C[C@@H](CN(C)[C@@H](C)CC#N)C1CCCC1 ZINC000878189354 624207016 /nfs/dbraw/zinc/20/70/16/624207016.db2.gz WWFGCJWLWNXSNY-VQFNDLOPSA-N 0 3 304.482 3.261 20 30 DGEDHN C=CC(C)(C)CC(=O)NCCCN1CCc2ccccc2C1 ZINC000878192851 624210052 /nfs/dbraw/zinc/21/00/52/624210052.db2.gz MSLIPOQXTXZIDY-UHFFFAOYSA-N 0 3 300.446 3.153 20 30 DGEDHN C[C@H](C1CC1)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000782181246 624216248 /nfs/dbraw/zinc/21/62/48/624216248.db2.gz PPYFSTJIIDRPDO-CQSZACIVSA-N 0 3 306.413 3.027 20 30 DGEDHN C=CC[C@H](C)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000879011697 624408763 /nfs/dbraw/zinc/40/87/63/624408763.db2.gz JUBONBDKNLXQIZ-LBPRGKRZSA-N 0 3 301.365 3.414 20 30 DGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000879240507 624458394 /nfs/dbraw/zinc/45/83/94/624458394.db2.gz MHLZFCUFJLSXRB-RTBURBONSA-N 0 3 310.372 3.395 20 30 DGEDHN N#Cc1cc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)ccc1F ZINC000879243619 624459112 /nfs/dbraw/zinc/45/91/12/624459112.db2.gz KCJBZPCQRHRPAJ-OALUTQOASA-N 0 3 310.372 3.395 20 30 DGEDHN CCCCC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000784348288 624507295 /nfs/dbraw/zinc/50/72/95/624507295.db2.gz YBHVXSZVPABOGC-KRWDZBQOSA-N 0 3 313.445 3.460 20 30 DGEDHN C[C@]1(NCc2cc(Cl)ccc2OCC#N)CCO[C@@H]1C1CC1 ZINC000784587820 624554540 /nfs/dbraw/zinc/55/45/40/624554540.db2.gz IITYPPHBTFFIBL-SJORKVTESA-N 0 3 320.820 3.290 20 30 DGEDHN COc1ccc([C@H]2CN(Cc3ccc(C#N)c(C)c3)CCN2)cc1 ZINC000879524325 624577343 /nfs/dbraw/zinc/57/73/43/624577343.db2.gz UNBUAOLGEBTXPU-HXUWFJFHSA-N 0 3 321.424 3.022 20 30 DGEDHN CC(C)(C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531996 624913093 /nfs/dbraw/zinc/91/30/93/624913093.db2.gz XROIVPXHHUYJNI-CQSZACIVSA-N 0 3 320.820 3.491 20 30 DGEDHN CC(C)C[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533371 624913276 /nfs/dbraw/zinc/91/32/76/624913276.db2.gz DLQIPISGMIHSOC-IUODEOHRSA-N 0 3 320.820 3.347 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCC2(CCCCO2)CC1 ZINC000880456428 624960040 /nfs/dbraw/zinc/96/00/40/624960040.db2.gz LYVAJHMKIKBTHS-UHFFFAOYSA-N 0 3 300.402 3.102 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](C)c1ccco1)c1ccccc1 ZINC000787048081 624974482 /nfs/dbraw/zinc/97/44/82/624974482.db2.gz ZIRJHSNIRZCWEB-KBMXLJTQSA-N 0 3 324.380 3.359 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787072530 624976077 /nfs/dbraw/zinc/97/60/77/624976077.db2.gz QLMNCOZXKNMVPH-IAGOWNOFSA-N 0 3 314.429 3.426 20 30 DGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C(C)C ZINC000787079048 624976621 /nfs/dbraw/zinc/97/66/21/624976621.db2.gz ODWANGBKQOXZCG-SJORKVTESA-N 0 3 314.429 3.426 20 30 DGEDHN CCC[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787080493 624977234 /nfs/dbraw/zinc/97/72/34/624977234.db2.gz VDWCWLZTVZWKDQ-HOCLYGCPSA-N 0 3 300.402 3.180 20 30 DGEDHN CC1(c2cccc(CNCc3cc(C#N)cs3)c2)OCCO1 ZINC000883127887 625934196 /nfs/dbraw/zinc/93/41/96/625934196.db2.gz LLOPIHIUMOXBRU-UHFFFAOYSA-N 0 3 314.410 3.129 20 30 DGEDHN C#Cc1ccc(CNCc2ccc(O[C@H](C)COC)cc2)cc1 ZINC000883132481 625938041 /nfs/dbraw/zinc/93/80/41/625938041.db2.gz SKINJYKMUILAEY-MRXNPFEDSA-N 0 3 309.409 3.371 20 30 DGEDHN N#Cc1ccc(C2(NCc3ccc4oc(=O)oc4c3)CCC2)cc1 ZINC000883162163 625947728 /nfs/dbraw/zinc/94/77/28/625947728.db2.gz LBXIICJIFBJKDE-UHFFFAOYSA-N 0 3 320.348 3.427 20 30 DGEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCO[C@@H](C)C#N ZINC000796245465 626032061 /nfs/dbraw/zinc/03/20/61/626032061.db2.gz FSZJYMMITCZSGD-VYDXJSESSA-N 0 3 302.418 3.397 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC000796638142 626068197 /nfs/dbraw/zinc/06/81/97/626068197.db2.gz YTWCWTAPWKEPAW-OCCSQVGLSA-N 0 3 320.339 3.332 20 30 DGEDHN C#CCN(CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000796634009 626068360 /nfs/dbraw/zinc/06/83/60/626068360.db2.gz WZPCPMCQGRWNIG-UHFFFAOYSA-N 0 3 310.372 3.290 20 30 DGEDHN C[C@@H](C#N)OCCN[C@@H](C)c1ccc(Br)cc1F ZINC000796690949 626073609 /nfs/dbraw/zinc/07/36/09/626073609.db2.gz BQQGVFZVSAWXGO-UWVGGRQHSA-N 0 3 315.186 3.167 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796780826 626081918 /nfs/dbraw/zinc/08/19/18/626081918.db2.gz UHLPMZXPCLGCTI-BBWFWOEESA-N 0 3 312.413 3.195 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2cnn3ccccc23)cc1 ZINC000797059059 626109155 /nfs/dbraw/zinc/10/91/55/626109155.db2.gz UJQUZIKBUOZPIC-HNNXBMFYSA-N 0 3 305.381 3.197 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000797548151 626152089 /nfs/dbraw/zinc/15/20/89/626152089.db2.gz AHNIVFCNBBWHDN-RKTXRCNFSA-N 0 3 312.413 3.051 20 30 DGEDHN CCOC(=O)C(C)(C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797570927 626154009 /nfs/dbraw/zinc/15/40/09/626154009.db2.gz LZODSUOTGSQNFI-JTQLQIEISA-N 0 3 322.430 3.206 20 30 DGEDHN C=CCN1CC[C@@H](N2CCC(c3cc4ccccc4[nH]3)CC2)C1=O ZINC000799116441 626273559 /nfs/dbraw/zinc/27/35/59/626273559.db2.gz KUIPUAIXCAEOJT-LJQANCHMSA-N 0 3 323.440 3.134 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccc(F)cn1 ZINC000799324818 626289825 /nfs/dbraw/zinc/28/98/25/626289825.db2.gz YEWXDIWQQVSEGR-SFHVURJKSA-N 0 3 300.377 3.332 20 30 DGEDHN CCCCCCCS(=O)(=O)N(C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000799776458 626328272 /nfs/dbraw/zinc/32/82/72/626328272.db2.gz OTQMVNKCYGXYFD-JKSUJKDBSA-N 0 3 318.527 3.091 20 30 DGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000800410599 626357518 /nfs/dbraw/zinc/35/75/18/626357518.db2.gz XVDJLTQXXHBSLE-GDBMZVCRSA-N 0 3 300.402 3.146 20 30 DGEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103640234 626395056 /nfs/dbraw/zinc/39/50/56/626395056.db2.gz VFFURERZEJGNIF-RHSMWYFYSA-N 0 3 312.413 3.338 20 30 DGEDHN C[C@@H](C#N)OCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000801919708 626425688 /nfs/dbraw/zinc/42/56/88/626425688.db2.gz IGEIBZZRQBGFRK-SUMWQHHRSA-N 0 3 322.836 3.014 20 30 DGEDHN Cc1cccc2nc(C3CCN(CCO[C@H](C)C#N)CC3)oc21 ZINC000801946518 626427576 /nfs/dbraw/zinc/42/75/76/626427576.db2.gz JUAIOWOYSZNUAS-CQSZACIVSA-N 0 3 313.401 3.244 20 30 DGEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc2n1CCCC2 ZINC000883216764 626612171 /nfs/dbraw/zinc/61/21/71/626612171.db2.gz WFTCHFPLKNRGHF-QGZVFWFLSA-N 0 3 310.445 3.282 20 30 DGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC3(CCOCC3)Oc3ccccc32)C1 ZINC000883386038 626668662 /nfs/dbraw/zinc/66/86/62/626668662.db2.gz YGONMXHBUVUHBN-HLLBOEOZSA-N 0 3 312.413 3.341 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@@H]1CCSC1 ZINC000808002290 626785488 /nfs/dbraw/zinc/78/54/88/626785488.db2.gz YSGLTAUNRUBTID-XAQLWHBBSA-N 0 3 301.459 3.379 20 30 DGEDHN CCCCCCCCCCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884071065 626829392 /nfs/dbraw/zinc/82/93/92/626829392.db2.gz HPENFVAAVBPNIT-HFCFLWKCSA-N 0 3 319.493 3.383 20 30 DGEDHN CCCCCCC[C@H](C)CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884099753 626834114 /nfs/dbraw/zinc/83/41/14/626834114.db2.gz YEYNWWNAKCQLIV-WPZCVXBKSA-N 0 3 319.493 3.239 20 30 DGEDHN CCCCCCCCCN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884101050 626834442 /nfs/dbraw/zinc/83/44/42/626834442.db2.gz NGRALHHDPBRYSI-HFCFLWKCSA-N 0 3 319.493 3.335 20 30 DGEDHN C#Cc1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000809615242 626926797 /nfs/dbraw/zinc/92/67/97/626926797.db2.gz WTMYHIBGXFEXEF-KRWDZBQOSA-N 0 3 319.326 3.208 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)c1c(F)cccc1F)CC2 ZINC000810227038 626989965 /nfs/dbraw/zinc/98/99/65/626989965.db2.gz QKAVBIBZXLOAPN-IRXDYDNUSA-N 0 3 314.335 3.147 20 30 DGEDHN C=CC[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccncc1 ZINC000810408473 627005199 /nfs/dbraw/zinc/00/51/99/627005199.db2.gz IBYZOJCJADBHIT-QAPCUYQASA-N 0 3 319.424 3.028 20 30 DGEDHN C#Cc1ccccc1CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000810572883 627018249 /nfs/dbraw/zinc/01/82/49/627018249.db2.gz IIKPNWFFBZDMHA-HXUWFJFHSA-N 0 3 319.404 3.028 20 30 DGEDHN CC[C@H](NC(=O)C(C#N)C(=O)C1(CCF)CC1)c1ccccc1 ZINC000810709812 627039725 /nfs/dbraw/zinc/03/97/25/627039725.db2.gz KHXRCXXDQRSZRJ-GJZGRUSLSA-N 0 3 316.376 3.103 20 30 DGEDHN C=CCN(CCc1ccco1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810966965 627072905 /nfs/dbraw/zinc/07/29/05/627072905.db2.gz CBUVNGGVPTYBAH-SFHVURJKSA-N 0 3 322.424 3.049 20 30 DGEDHN CC(C)N(Cc1ccccc1F)C[C@@H](O)CC1(C#N)CCC1 ZINC000885969447 627073634 /nfs/dbraw/zinc/07/36/34/627073634.db2.gz SKZFQQNYUKBBDE-INIZCTEOSA-N 0 3 304.409 3.481 20 30 DGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)CC2(C#N)CCC2)s1 ZINC000886001546 627079886 /nfs/dbraw/zinc/07/98/86/627079886.db2.gz CFYLYCXTSOJMLW-TZMCWYRMSA-N 0 3 307.463 3.198 20 30 DGEDHN CC1=C(c2ccco2)CN(C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886191952 627119368 /nfs/dbraw/zinc/11/93/68/627119368.db2.gz ANYZYXGYQADANR-HNNXBMFYSA-N 0 3 300.402 3.204 20 30 DGEDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(C#N)CCC1 ZINC000886192183 627119443 /nfs/dbraw/zinc/11/94/43/627119443.db2.gz JQEKSQSDEWDOTM-KRWDZBQOSA-N 0 3 316.445 3.439 20 30 DGEDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(C#N)CCC1 ZINC000886192183 627119445 /nfs/dbraw/zinc/11/94/45/627119445.db2.gz JQEKSQSDEWDOTM-KRWDZBQOSA-N 0 3 316.445 3.439 20 30 DGEDHN N#CC1(C[C@H](O)CNC2(c3ccccc3F)CCC2)CCC1 ZINC000886265782 627127790 /nfs/dbraw/zinc/12/77/90/627127790.db2.gz RNPMOXMJJYVJGR-AWEZNQCLSA-N 0 3 302.393 3.239 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886359478 627142496 /nfs/dbraw/zinc/14/24/96/627142496.db2.gz CWBJKRPQUAUXPI-ZIAGYGMSSA-N 0 3 311.385 3.151 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000886361625 627142945 /nfs/dbraw/zinc/14/29/45/627142945.db2.gz OZKXWKJCXIYXJJ-OAGGEKHMSA-N 0 3 316.470 3.145 20 30 DGEDHN C=C(C)CN1CCN(CC(=C)C)[C@H](Cc2cccc(OC)c2)C1 ZINC000886384303 627145194 /nfs/dbraw/zinc/14/51/94/627145194.db2.gz MIXFKOSFRMDPOZ-LJQANCHMSA-N 0 3 314.473 3.376 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C1CCN(C)CC1 ZINC000886573206 627166135 /nfs/dbraw/zinc/16/61/35/627166135.db2.gz ADXXRYYPFXXEBS-RTBURBONSA-N 0 3 324.468 3.126 20 30 DGEDHN C#CCN(C(=O)c1coc2ccc(CC)cc21)C1CCN(C)CC1 ZINC000886575733 627166637 /nfs/dbraw/zinc/16/66/37/627166637.db2.gz HWRIBEIKNHTFMM-UHFFFAOYSA-N 0 3 324.424 3.165 20 30 DGEDHN C=CCC1(O)CCN(CCOc2ccc(SC)cc2)CC1 ZINC000886766905 627202018 /nfs/dbraw/zinc/20/20/18/627202018.db2.gz USYQAWJRHALKPB-UHFFFAOYSA-N 0 3 307.459 3.190 20 30 DGEDHN C#CCC1(NCc2oc(-c3ccccc3)nc2C)CCOCC1 ZINC000887121127 627226701 /nfs/dbraw/zinc/22/67/01/627226701.db2.gz XTKIVYRNVPJBBA-UHFFFAOYSA-N 0 3 310.397 3.312 20 30 DGEDHN C#CCC1(NCc2ccc(-c3ncco3)cc2F)CCOCC1 ZINC000887122294 627226710 /nfs/dbraw/zinc/22/67/10/627226710.db2.gz RIEVPEJUFGQHBM-UHFFFAOYSA-N 0 3 314.360 3.143 20 30 DGEDHN C#CCC1(NCc2nc3ccccc3n2C(F)F)CCOCC1 ZINC000887125818 627227103 /nfs/dbraw/zinc/22/71/03/627227103.db2.gz KZQLXDXXSDNOMD-UHFFFAOYSA-N 0 3 319.355 3.094 20 30 DGEDHN C=CC[C@@H](Nc1cccc2c1CN(CCCC)C2)C(=O)OC ZINC000887308821 627241804 /nfs/dbraw/zinc/24/18/04/627241804.db2.gz AZRKHJQPQNAJTQ-QGZVFWFLSA-N 0 3 302.418 3.332 20 30 DGEDHN C#CCOc1ccc([C@H](C)NCc2ccc3cnn(C)c3c2)cc1 ZINC000812738154 627414397 /nfs/dbraw/zinc/41/43/97/627414397.db2.gz OCSOEHKNKQLAEB-HNNXBMFYSA-N 0 3 319.408 3.436 20 30 DGEDHN C#C[C@H](NC(=O)CN(C)CCCCCC)c1ccc(F)cc1 ZINC000812748387 627415877 /nfs/dbraw/zinc/41/58/77/627415877.db2.gz SFQYTKSBUJXSIL-KRWDZBQOSA-N 0 3 304.409 3.128 20 30 DGEDHN CCO[C@@H](CC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215784 627468207 /nfs/dbraw/zinc/46/82/07/627468207.db2.gz BRQVVTMLMFKWAW-JQWIXIFHSA-N 0 3 300.280 3.092 20 30 DGEDHN C[C@@H]1C[C@H](C)[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)O1 ZINC000813215306 627468249 /nfs/dbraw/zinc/46/82/49/627468249.db2.gz WMXODYFYDYQACM-VKZHRDFRSA-N 0 3 312.291 3.090 20 30 DGEDHN C=CCCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215376 627468370 /nfs/dbraw/zinc/46/83/70/627468370.db2.gz XPCOIOGDKVZFBP-ZYHUDNBSSA-N 0 3 312.291 3.258 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217414 627468695 /nfs/dbraw/zinc/46/86/95/627468695.db2.gz FTAFAIKCQRYWPJ-AORQRIRUSA-N 0 3 324.302 3.259 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000814170031 627546031 /nfs/dbraw/zinc/54/60/31/627546031.db2.gz QHTKWVNOEQJDEJ-UHOFOFEASA-N 0 3 306.356 3.455 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cnccc2OC)c([O-])c1 ZINC000814182940 627547863 /nfs/dbraw/zinc/54/78/63/627547863.db2.gz APPFSLPSONQLFF-JAIQZWGSSA-N 0 3 313.401 3.261 20 30 DGEDHN C#CCNC(=O)CCN[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000815083449 627624289 /nfs/dbraw/zinc/62/42/89/627624289.db2.gz ZHKUHXNNUCCOJX-INIZCTEOSA-N 0 3 322.408 3.269 20 30 DGEDHN CC(C)C#CC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000924891382 627690851 /nfs/dbraw/zinc/69/08/51/627690851.db2.gz ZTLOMFFJDONZKT-UHFFFAOYSA-N 0 3 312.335 3.365 20 30 DGEDHN C=CCC(F)(F)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000816600930 627813077 /nfs/dbraw/zinc/81/30/77/627813077.db2.gz LQJZLSWXKNNFKV-CYBMUJFWSA-N 0 3 316.779 3.270 20 30 DGEDHN C=CCCSCCN[C@H](C)c1cnnn1-c1ccccc1 ZINC000926686374 627933207 /nfs/dbraw/zinc/93/32/07/627933207.db2.gz VMQVBWCIFFWJGH-CQSZACIVSA-N 0 3 302.447 3.227 20 30 DGEDHN Cc1ccc([C@@H](NCCNc2ccc(C#N)cn2)C2CCC2)o1 ZINC000927165729 628030427 /nfs/dbraw/zinc/03/04/27/628030427.db2.gz UAQZAUDGEPCIJO-SFHVURJKSA-N 0 3 310.401 3.398 20 30 DGEDHN C#CCN(C)CCCNC(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000818592821 628039625 /nfs/dbraw/zinc/03/96/25/628039625.db2.gz AMDUMZWYEPHKEI-SJORKVTESA-N 0 3 312.457 3.047 20 30 DGEDHN C[C@H]1[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1C ZINC000928454260 628151424 /nfs/dbraw/zinc/15/14/24/628151424.db2.gz QWZDTDZZQRWRMV-LIRRHRJNSA-N 0 3 319.408 3.048 20 30 DGEDHN CCN1CCN(c2ccc(Nc3cc(C)ncc3C#N)cc2)CC1 ZINC000819905607 628197598 /nfs/dbraw/zinc/19/75/98/628197598.db2.gz IURQTYKBYFFIAC-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN C#Cc1ccc(NC(=O)CCN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000929127108 628212626 /nfs/dbraw/zinc/21/26/26/628212626.db2.gz ZYKXKBDWEVZYNV-AWEZNQCLSA-N 0 3 324.346 3.271 20 30 DGEDHN CC(C)N1CCC[C@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000820478035 628263602 /nfs/dbraw/zinc/26/36/02/628263602.db2.gz CQEFLIIDIWZZEO-MSOLQXFVSA-N 0 3 313.445 3.411 20 30 DGEDHN CSC(C)(C)CCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000820851193 628304585 /nfs/dbraw/zinc/30/45/85/628304585.db2.gz JRFOCPAYECVKDC-KRWDZBQOSA-N 0 3 317.502 3.401 20 30 DGEDHN N#CC(C(=O)C=C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177662 628343522 /nfs/dbraw/zinc/34/35/22/628343522.db2.gz HZZJNXONVILXLM-QSKOYVBTSA-N 0 3 310.275 3.012 20 30 DGEDHN COC(=O)Cc1ccccc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823618489 628579973 /nfs/dbraw/zinc/57/99/73/628579973.db2.gz RVIPVJUXRRASKV-HNNXBMFYSA-N 0 3 322.408 3.467 20 30 DGEDHN O=C(C#Cc1cccs1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000823990772 628616595 /nfs/dbraw/zinc/61/65/95/628616595.db2.gz QFRYQCFZAFWZLO-SFHVURJKSA-N 0 3 324.449 3.053 20 30 DGEDHN COC(=O)C1(C#N)CCN(C[C@H](C)CC2CCCCC2)CC1 ZINC000824871999 628701846 /nfs/dbraw/zinc/70/18/46/628701846.db2.gz NCVGWEHJIOEIAE-OAHLLOKOSA-N 0 3 306.450 3.372 20 30 DGEDHN C#CCOc1ccc(CNCc2c(C)cc(OC)nc2C)cc1 ZINC000824926784 628708006 /nfs/dbraw/zinc/70/80/06/628708006.db2.gz UEJQWEHZNXVRML-UHFFFAOYSA-N 0 3 310.397 3.009 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCCC[C@H]1CCOC1 ZINC000825144446 628732169 /nfs/dbraw/zinc/73/21/69/628732169.db2.gz NPMCTUJJEGPWDL-AWEZNQCLSA-N 0 3 307.821 3.258 20 30 DGEDHN N#Cc1csc(C(=O)NC[C@H]2CCN2C2CCCCCC2)c1 ZINC000826666678 628869888 /nfs/dbraw/zinc/86/98/88/628869888.db2.gz INNNHNJFSISRBZ-OAHLLOKOSA-N 0 3 317.458 3.147 20 30 DGEDHN C#C[C@@H](NCc1ccccc1OC(F)(F)F)C1CCOCC1 ZINC000827569681 628971888 /nfs/dbraw/zinc/97/18/88/628971888.db2.gz CLIUAQLGWFRACH-CQSZACIVSA-N 0 3 313.319 3.103 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000829773117 629189845 /nfs/dbraw/zinc/18/98/45/629189845.db2.gz AXTCAFXXBLWDPV-CRAIPNDOSA-N 0 3 314.429 3.148 20 30 DGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000829773274 629190022 /nfs/dbraw/zinc/19/00/22/629190022.db2.gz BXPHNUOECKNURL-KZNAEPCWSA-N 0 3 312.457 3.030 20 30 DGEDHN C#CC[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000829769200 629190314 /nfs/dbraw/zinc/19/03/14/629190314.db2.gz QEUVNUUADYQCCB-GJZGRUSLSA-N 0 3 318.848 3.253 20 30 DGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000829800422 629194673 /nfs/dbraw/zinc/19/46/73/629194673.db2.gz XYYJXMHCLOKFDF-HOTGVXAUSA-N 0 3 321.424 3.297 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000831829376 629416144 /nfs/dbraw/zinc/41/61/44/629416144.db2.gz ISUVGRVZYJTGPB-CABCVRRESA-N 0 3 306.793 3.066 20 30 DGEDHN CN(C)c1ccccc1CNN=C1CCCc2cc(N)ccc21 ZINC000834975760 629815398 /nfs/dbraw/zinc/81/53/98/629815398.db2.gz DTJVGUXYWOIDFR-UHFFFAOYSA-N 0 3 308.429 3.165 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000835060581 629840412 /nfs/dbraw/zinc/84/04/12/629840412.db2.gz BMLMGTNIDNTFLI-FRRDWIJNSA-N 0 3 324.302 3.095 20 30 DGEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000835062915 629841207 /nfs/dbraw/zinc/84/12/07/629841207.db2.gz STHORCINDPBFNH-NVXWUHKLSA-N 0 3 324.380 3.302 20 30 DGEDHN C#CCOc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cc1 ZINC000835078011 629845255 /nfs/dbraw/zinc/84/52/55/629845255.db2.gz YQCBHFNUYXTRSJ-UHFFFAOYSA-N 0 3 311.429 3.090 20 30 DGEDHN CN(C)Cc1cccc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC000835210462 629879742 /nfs/dbraw/zinc/87/97/42/629879742.db2.gz UTJYEBILBDYGSP-SFHVURJKSA-N 0 3 322.408 3.287 20 30 DGEDHN CC(C)(C(=O)C(C#N)c1cnc2ccccc2n1)C(C)(F)F ZINC000835348480 629912184 /nfs/dbraw/zinc/91/21/84/629912184.db2.gz ODDJPYAYXVIAAL-JTQLQIEISA-N 0 3 303.312 3.487 20 30 DGEDHN CCC[C@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835454385 629935547 /nfs/dbraw/zinc/93/55/47/629935547.db2.gz GVAWLIJLYBZNBQ-PWSUYJOCSA-N 0 3 300.280 3.092 20 30 DGEDHN CCC[C@@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835454392 629935637 /nfs/dbraw/zinc/93/56/37/629935637.db2.gz GVAWLIJLYBZNBQ-ZYHUDNBSSA-N 0 3 300.280 3.092 20 30 DGEDHN CC(C)(C)C#CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000837392138 630252379 /nfs/dbraw/zinc/25/23/79/630252379.db2.gz XNKNPYVWKCITPQ-SFHVURJKSA-N 0 3 312.457 3.379 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccn(CC)n2)c([O-])c1 ZINC000840710650 630350754 /nfs/dbraw/zinc/35/07/54/630350754.db2.gz LGCFNSKUWRGGOH-PDGQHHTCSA-N 0 3 300.406 3.074 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000840962417 630387273 /nfs/dbraw/zinc/38/72/73/630387273.db2.gz BJBPPKGZKBKHMK-MJBXVCDLSA-N 0 3 307.821 3.255 20 30 DGEDHN C=CCOCCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842364111 630523936 /nfs/dbraw/zinc/52/39/36/630523936.db2.gz GKVXTGONNSYXTL-UHFFFAOYSA-N 0 3 303.402 3.032 20 30 DGEDHN c1ccc(CN2CCC(=NOC3CCOCC3)CC23CC3)cc1 ZINC000842529514 630544989 /nfs/dbraw/zinc/54/49/89/630544989.db2.gz AZFFNDLGFSSFGS-UHFFFAOYSA-N 0 3 314.429 3.367 20 30 DGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(F)CC2)cc1 ZINC000842690573 630563579 /nfs/dbraw/zinc/56/35/79/630563579.db2.gz ZJFUUWWMAXPCEQ-FZMZJTMJSA-N 0 3 302.349 3.350 20 30 DGEDHN C#Cc1ccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000843422616 630656300 /nfs/dbraw/zinc/65/63/00/630656300.db2.gz OZSJBGIYINYQME-OAHLLOKOSA-N 0 3 319.408 3.048 20 30 DGEDHN C#CC1CCN(Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000843427012 630656861 /nfs/dbraw/zinc/65/68/61/630656861.db2.gz QWWOKHJPVDAEKD-UHFFFAOYSA-N 0 3 305.443 3.271 20 30 DGEDHN C#CC[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000843999201 630706135 /nfs/dbraw/zinc/70/61/35/630706135.db2.gz BIEXELVVALTPLU-QGZVFWFLSA-N 0 3 310.441 3.158 20 30 DGEDHN Cc1ncsc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000105494575 630718843 /nfs/dbraw/zinc/71/88/43/630718843.db2.gz QJMMMGPQXAQYGK-UHFFFAOYSA-N 0 3 300.431 3.091 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000845447418 631175661 /nfs/dbraw/zinc/17/56/61/631175661.db2.gz CHRIJUFVRBGOOX-XHDPSFHLSA-N 0 3 318.804 3.211 20 30 DGEDHN CC([C@H](OC(=O)CC(C)(C)C#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877648 631200607 /nfs/dbraw/zinc/20/06/07/631200607.db2.gz FWZINRRURYUBSQ-HZMBPMFUSA-N 0 3 308.309 3.015 20 30 DGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCCCC#N ZINC000846794295 631308191 /nfs/dbraw/zinc/30/81/91/631308191.db2.gz YSHZBISULBLAIH-AEFFLSMTSA-N 0 3 311.429 3.213 20 30 DGEDHN N#CCOc1ccc(CN2CCC=C(c3ccccn3)C2)cc1 ZINC000846919831 631352372 /nfs/dbraw/zinc/35/23/72/631352372.db2.gz DENUVORVHZCZGX-UHFFFAOYSA-N 0 3 305.381 3.273 20 30 DGEDHN CC([C@H](OC(=O)CCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000847737951 631529311 /nfs/dbraw/zinc/52/93/11/631529311.db2.gz YPXQFDMVDBGZSK-ABAIWWIYSA-N 0 3 308.309 3.159 20 30 DGEDHN CC(C)CC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847745264 631530658 /nfs/dbraw/zinc/53/06/58/631530658.db2.gz DLALCTFQRHZGHV-UHFFFAOYSA-N 0 3 314.429 3.382 20 30 DGEDHN C[C@H](COC(=O)c1ccc(C#N)c(Cl)c1)N1CCCCC1 ZINC000847962870 631586837 /nfs/dbraw/zinc/58/68/37/631586837.db2.gz LDBHCBLIRUIHDL-GFCCVEGCSA-N 0 3 306.793 3.243 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(SC(F)F)c1 ZINC000848398098 631653710 /nfs/dbraw/zinc/65/37/10/631653710.db2.gz CPFBGKBOCVMYDZ-LBPRGKRZSA-N 0 3 313.373 3.351 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000848399734 631654728 /nfs/dbraw/zinc/65/47/28/631654728.db2.gz TWHWDCKZMGRSCI-MSOLQXFVSA-N 0 3 313.445 3.194 20 30 DGEDHN CCCCc1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000848406648 631655834 /nfs/dbraw/zinc/65/58/34/631655834.db2.gz ORONHDSDGJHWSJ-QGZVFWFLSA-N 0 3 301.434 3.403 20 30 DGEDHN c1cc2ncnc(N=NC3CCCN4CCCC[C@H]34)c2s1 ZINC000848407140 631655890 /nfs/dbraw/zinc/65/58/90/631655890.db2.gz MEJGNVWLGZEMHN-CYBMUJFWSA-N 0 3 301.419 3.108 20 30 DGEDHN CN1c2ccccc2C(C)(C)C1=CC=NNCCCn1ccnc1 ZINC000848420208 631659414 /nfs/dbraw/zinc/65/94/14/631659414.db2.gz SLMUYWDBAOJHNI-PSFZQZBJSA-N 0 3 323.444 3.160 20 30 DGEDHN C#CCOc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848552605 631689295 /nfs/dbraw/zinc/68/92/95/631689295.db2.gz DSXLAJGEKZSERD-SFHVURJKSA-N 0 3 322.364 3.384 20 30 DGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000848552273 631689738 /nfs/dbraw/zinc/68/97/38/631689738.db2.gz KDOHOSQYOLFYCQ-MJGOQNOKSA-N 0 3 322.408 3.072 20 30 DGEDHN CCC(C)(C)N1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000848760904 631743017 /nfs/dbraw/zinc/74/30/17/631743017.db2.gz KWCIQUNSBGYESL-UHFFFAOYSA-N 0 3 308.429 3.417 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccccc1F ZINC000109038441 632022770 /nfs/dbraw/zinc/02/27/70/632022770.db2.gz GKNOBHZCEXEHSS-ZFWWWQNUSA-N 0 3 318.392 3.335 20 30 DGEDHN C=CCCSCCNCc1cc2c(C)nn(C)c2nc1Cl ZINC000850354521 632122572 /nfs/dbraw/zinc/12/25/72/632122572.db2.gz LZTWOHLRRHSHDC-UHFFFAOYSA-N 0 3 324.881 3.329 20 30 DGEDHN CC(C)COC(=O)N1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000850390695 632136831 /nfs/dbraw/zinc/13/68/31/632136831.db2.gz OMYLJBMFGPSHIS-UHFFFAOYSA-N 0 3 321.465 3.307 20 30 DGEDHN CC[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(C#N)cc1 ZINC000850531412 632182255 /nfs/dbraw/zinc/18/22/55/632182255.db2.gz DKMHXLLOKYMIEJ-OAGGEKHMSA-N 0 3 306.356 3.413 20 30 DGEDHN C#CCOCCN1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000851743273 632482703 /nfs/dbraw/zinc/48/27/03/632482703.db2.gz NMTJOZCQXWXVDL-UHFFFAOYSA-N 0 3 306.475 3.270 20 30 DGEDHN C#C[C@@](C)(CC)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000852099036 632554322 /nfs/dbraw/zinc/55/43/22/632554322.db2.gz BXUMOWZDJBUDOP-IBGZPJMESA-N 0 3 310.397 3.101 20 30 DGEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 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C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccccc1C ZINC001032808421 660452077 /nfs/dbraw/zinc/45/20/77/660452077.db2.gz XCQPEZLZGKENSP-WDSOQIARSA-N 0 3 312.457 3.035 20 30 DGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2C)CC1 ZINC001032816168 660454737 /nfs/dbraw/zinc/45/47/37/660454737.db2.gz DYPLJBMPASQFCF-ROUUACIJSA-N 0 3 324.468 3.278 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cncc3sccc32)CC1 ZINC001003491373 660494928 /nfs/dbraw/zinc/49/49/28/660494928.db2.gz QPYBSRXOXQCVSF-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3F)CCC2)CC1 ZINC001003945536 660518291 /nfs/dbraw/zinc/51/82/91/660518291.db2.gz FMCQBDSSYLVGNM-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2coc3ccc(CC)cc32)C1 ZINC001033081876 660537239 /nfs/dbraw/zinc/53/72/39/660537239.db2.gz NDBJVTFPTNJNCR-MRXNPFEDSA-N 0 3 324.424 3.165 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001033111424 660547380 /nfs/dbraw/zinc/54/73/80/660547380.db2.gz 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C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033643141 660645379 /nfs/dbraw/zinc/64/53/79/660645379.db2.gz XFAHFVAVRLIGSA-KRWDZBQOSA-N 0 3 300.446 3.334 20 30 DGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001033690666 660651583 /nfs/dbraw/zinc/65/15/83/660651583.db2.gz FNAYFKLXSXQQJL-MRXNPFEDSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2cnc(C(C)C)s2)C1 ZINC001033715783 660654861 /nfs/dbraw/zinc/65/48/61/660654861.db2.gz MWJRLWYQMKRPCL-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC001005380091 660667416 /nfs/dbraw/zinc/66/74/16/660667416.db2.gz BZYABGOCGPPKAM-DZGCQCFKSA-N 0 3 302.418 3.125 20 30 DGEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033820131 660667503 /nfs/dbraw/zinc/66/75/03/660667503.db2.gz JIGDAXPXJOOZJX-CYBMUJFWSA-N 0 3 310.438 3.390 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033834577 660667698 /nfs/dbraw/zinc/66/76/98/660667698.db2.gz QVGBZKWMNARMGR-GVDBMIGSSA-N 0 3 304.478 3.005 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2csc(C)c2C)C1 ZINC001033845917 660669937 /nfs/dbraw/zinc/66/99/37/660669937.db2.gz IWKLAYXPLNBQPN-OAHLLOKOSA-N 0 3 306.475 3.477 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033856808 660671654 /nfs/dbraw/zinc/67/16/54/660671654.db2.gz WZALURYJVDJCDH-KRWDZBQOSA-N 0 3 315.461 3.318 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C(C)(C)C)cn2)CC1 ZINC001005411264 660672159 /nfs/dbraw/zinc/67/21/59/660672159.db2.gz XNKJEGOAWOTLOL-UHFFFAOYSA-N 0 3 315.461 3.102 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(Cl)c2)C1 ZINC001033902539 660676086 /nfs/dbraw/zinc/67/60/86/660676086.db2.gz KNISPMIVXCUXSI-QGZVFWFLSA-N 0 3 318.848 3.208 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033906427 660677878 /nfs/dbraw/zinc/67/78/78/660677878.db2.gz JKNYKEZKYWOLQT-XLAORIBOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn(C(C)C)c2C)C1 ZINC001033930825 660680791 /nfs/dbraw/zinc/68/07/91/660680791.db2.gz BJCWPXHNRQHVHN-KRWDZBQOSA-N 0 3 317.477 3.490 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033931681 660681099 /nfs/dbraw/zinc/68/10/99/660681099.db2.gz QCXHKJJDBOEPQJ-OAHLLOKOSA-N 0 3 303.450 3.251 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(OC)c2C)C1 ZINC001033966961 660686226 /nfs/dbraw/zinc/68/62/26/660686226.db2.gz CJIOICOZVOWWCU-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)cc2C)C1 ZINC001033940078 660684381 /nfs/dbraw/zinc/68/43/81/660684381.db2.gz CLHKDYBGLUQVEF-INIZCTEOSA-N 0 3 318.848 3.208 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033915993 660677154 /nfs/dbraw/zinc/67/71/54/660677154.db2.gz FXEXRYCLCQMXAO-QGZVFWFLSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033961313 660688329 /nfs/dbraw/zinc/68/83/29/660688329.db2.gz GYAWXPNZJLQXOV-HNNXBMFYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033979642 660690019 /nfs/dbraw/zinc/69/00/19/660690019.db2.gz KHMPYEHUAJVSBO-OAHLLOKOSA-N 0 3 319.449 3.219 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001034026024 660695326 /nfs/dbraw/zinc/69/53/26/660695326.db2.gz SQULCFMFRHNJMR-IBGZPJMESA-N 0 3 312.457 3.370 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034021237 660694824 /nfs/dbraw/zinc/69/48/24/660694824.db2.gz VGSMUVCRRCAWRN-BZSNNMDCSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc3ccncc3s2)CC1 ZINC001005503035 660711332 /nfs/dbraw/zinc/71/13/32/660711332.db2.gz HMRYTOSSUCUUHS-UHFFFAOYSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001034211347 660724228 /nfs/dbraw/zinc/72/42/28/660724228.db2.gz PNDRVQOBALBPEK-ARFHVFGLSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228601 660725518 /nfs/dbraw/zinc/72/55/18/660725518.db2.gz GKQILCNLCQPVHN-HOTGVXAUSA-N 0 3 318.465 3.015 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccsc2COC)C1 ZINC001034272833 660731354 /nfs/dbraw/zinc/73/13/54/660731354.db2.gz XCMRADHEGWVKAH-CQSZACIVSA-N 0 3 322.474 3.055 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001034256075 660729010 /nfs/dbraw/zinc/72/90/10/660729010.db2.gz HSVSKUYQGCGFPD-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034255754 660729396 /nfs/dbraw/zinc/72/93/96/660729396.db2.gz GLTDBYYPZJLSSP-GOSISDBHSA-N 0 3 315.461 3.195 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001034288369 660732909 /nfs/dbraw/zinc/73/29/09/660732909.db2.gz JSRRXKDBJPHLHX-HNNXBMFYSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001034335006 660738824 /nfs/dbraw/zinc/73/88/24/660738824.db2.gz TVHOROYSXDGJOJ-INIZCTEOSA-N 0 3 315.461 3.284 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001034346341 660740732 /nfs/dbraw/zinc/74/07/32/660740732.db2.gz SFOQFNLPPDRYSC-HNNXBMFYSA-N 0 3 318.486 3.020 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001034369817 660742423 /nfs/dbraw/zinc/74/24/23/660742423.db2.gz VKAYYHFSXDLQOR-OAHLLOKOSA-N 0 3 302.418 3.011 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001034375565 660743399 /nfs/dbraw/zinc/74/33/99/660743399.db2.gz PPDDCGAPGAJAHK-ZDUSSCGKSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034395181 660747603 /nfs/dbraw/zinc/74/76/03/660747603.db2.gz UILBGLZHTYBYGT-GOEBONIOSA-N 0 3 306.475 3.398 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001034411552 660749356 /nfs/dbraw/zinc/74/93/56/660749356.db2.gz SFBBVOVYHNBPDU-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001034417540 660751286 /nfs/dbraw/zinc/75/12/86/660751286.db2.gz OYPKOQUBFQMDNO-HNNXBMFYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001034481639 660757641 /nfs/dbraw/zinc/75/76/41/660757641.db2.gz VTIIJAOWAXYNLA-OAHLLOKOSA-N 0 3 304.434 3.311 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001034471161 660758255 /nfs/dbraw/zinc/75/82/55/660758255.db2.gz FLEBUHFLKIYJAJ-IBGZPJMESA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001034508598 660764002 /nfs/dbraw/zinc/76/40/02/660764002.db2.gz ZAUTWECZMSPXII-CYBMUJFWSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034473207 660758835 /nfs/dbraw/zinc/75/88/35/660758835.db2.gz GJQSFOSXENUWQN-INIZCTEOSA-N 0 3 315.461 3.054 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034489837 660758893 /nfs/dbraw/zinc/75/88/93/660758893.db2.gz DTYVHCIXKLDURD-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001034508304 660763788 /nfs/dbraw/zinc/76/37/88/660763788.db2.gz HHNPUPAUZHHKDL-OAHLLOKOSA-N 0 3 306.475 3.064 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001034495295 660759762 /nfs/dbraw/zinc/75/97/62/660759762.db2.gz SLAUIGWRUSZEJE-GOSISDBHSA-N 0 3 314.473 3.429 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034506284 660763255 /nfs/dbraw/zinc/76/32/55/660763255.db2.gz AXIHSLYFJCGGMR-KRWDZBQOSA-N 0 3 313.445 3.119 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001034431484 660752843 /nfs/dbraw/zinc/75/28/43/660752843.db2.gz LIKOCFXXMBBENP-GFCCVEGCSA-N 0 3 310.850 3.009 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034515149 660765680 /nfs/dbraw/zinc/76/56/80/660765680.db2.gz MOTBCDQBMMKHKZ-QGZVFWFLSA-N 0 3 300.446 3.464 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001034515758 660765725 /nfs/dbraw/zinc/76/57/25/660765725.db2.gz UPNUPVQTAGPMHF-INIZCTEOSA-N 0 3 310.397 3.040 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001034524301 660766736 /nfs/dbraw/zinc/76/67/36/660766736.db2.gz RMNRXIWMCFHRKV-INIZCTEOSA-N 0 3 311.429 3.328 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001034532113 660767102 /nfs/dbraw/zinc/76/71/02/660767102.db2.gz LYKWVOJEBIKKES-QGZVFWFLSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001034531320 660767221 /nfs/dbraw/zinc/76/72/21/660767221.db2.gz FQUYZVPNVJVNDD-MRXNPFEDSA-N 0 3 304.409 3.213 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001034519666 660768104 /nfs/dbraw/zinc/76/81/04/660768104.db2.gz KUOUYVLHMFXHBW-IBGZPJMESA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C2(c3ccccc3)CCC2)CC1 ZINC001005679614 660788720 /nfs/dbraw/zinc/78/87/20/660788720.db2.gz JJKMHCCDNSDYJD-UHFFFAOYSA-N 0 3 312.457 3.217 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)C2CCC(C3CC3)CC2)CC1 ZINC001045634027 660807403 /nfs/dbraw/zinc/80/74/03/660807403.db2.gz SLLOUISMWZETMP-UHFFFAOYSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1cc(C)ns1 ZINC001035011427 660808924 /nfs/dbraw/zinc/80/89/24/660808924.db2.gz WXBJZQFRPIUSKR-CQSZACIVSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CNCc2ccccc2F)C1 ZINC001035040783 660811414 /nfs/dbraw/zinc/81/14/14/660811414.db2.gz DXCTYNAYPINEKB-MRXNPFEDSA-N 0 3 316.420 3.263 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC001005796880 660838097 /nfs/dbraw/zinc/83/80/97/660838097.db2.gz XKTNZFMFIABWLN-UHFFFAOYSA-N 0 3 316.232 3.044 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC001035651094 660841728 /nfs/dbraw/zinc/84/17/28/660841728.db2.gz XJLUSNLJAVSMTE-UHFFFAOYSA-N 0 3 308.809 3.047 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1csc(C)c1C)CC2 ZINC001035712939 660846435 /nfs/dbraw/zinc/84/64/35/660846435.db2.gz RLBAAWJUXVLUTM-UHFFFAOYSA-N 0 3 318.486 3.479 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[C@@H]1C)CC2 ZINC001035713876 660846567 /nfs/dbraw/zinc/84/65/67/660846567.db2.gz YKNUYWRZBFDERZ-IRXDYDNUSA-N 0 3 304.478 3.313 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 ZINC001035715381 660847030 /nfs/dbraw/zinc/84/70/30/660847030.db2.gz XMJLWDRPBGBDLM-SFHVURJKSA-N 0 3 302.462 3.233 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@@H]1CC)CC2 ZINC001035733978 660848189 /nfs/dbraw/zinc/84/81/89/660848189.db2.gz MCKABCOXFOIOCV-PKOBYXMFSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CCC3(CC3)CC1)CC2 ZINC001035749767 660850969 /nfs/dbraw/zinc/85/09/69/660850969.db2.gz CNPWGOUAGYVFHH-UHFFFAOYSA-N 0 3 316.489 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C)CCCCC1)CC2 ZINC001035781915 660851302 /nfs/dbraw/zinc/85/13/02/660851302.db2.gz CNAPZFNXRBIBKP-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC(C)(C)C1)CC2 ZINC001035788166 660852173 /nfs/dbraw/zinc/85/21/73/660852173.db2.gz ASHGGTVBSOOJPD-INIZCTEOSA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(CCC)cc1)CC2 ZINC001035778403 660853669 /nfs/dbraw/zinc/85/36/69/660853669.db2.gz BOJTVOBFNXTPEO-UHFFFAOYSA-N 0 3 324.468 3.200 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](F)c1ccccc1)CC2 ZINC001035803708 660854357 /nfs/dbraw/zinc/85/43/57/660854357.db2.gz CNPJMPKPKXXGQO-QGZVFWFLSA-N 0 3 316.420 3.198 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H](C)c1ccccc1)CC2 ZINC001035847321 660855824 /nfs/dbraw/zinc/85/58/24/660855824.db2.gz JUTADKZAMIFOAL-SFHVURJKSA-N 0 3 324.468 3.128 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)c(CC)o1)CC2 ZINC001035838571 660857342 /nfs/dbraw/zinc/85/73/42/660857342.db2.gz FLZITKUNMMJVKQ-UHFFFAOYSA-N 0 3 316.445 3.265 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](CC)CC1)CC2 ZINC001035841739 660858170 /nfs/dbraw/zinc/85/81/70/660858170.db2.gz SMAPOSLMDKFVPE-IYARVYRRSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC001006151982 660966368 /nfs/dbraw/zinc/96/63/68/660966368.db2.gz VOKXZEDDWLCCEI-AWEZNQCLSA-N 0 3 304.409 3.038 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C[C@@H](C)C3CC3)CC[C@@H]2C1 ZINC000946902386 660962150 /nfs/dbraw/zinc/96/21/50/660962150.db2.gz NCSAJYBDTHDUHK-XYPHTWIQSA-N 0 3 324.896 3.346 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2coc(C3CCC3)n2)CC1 ZINC001006271509 660971467 /nfs/dbraw/zinc/97/14/67/660971467.db2.gz NJUKDYKWQONZBC-UHFFFAOYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC001006302475 660973747 /nfs/dbraw/zinc/97/37/47/660973747.db2.gz FTERUXBWAMGKCN-UHFFFAOYSA-N 0 3 318.436 3.212 20 30 DGEDHN COCCCNN=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794936870 661114831 /nfs/dbraw/zinc/11/48/31/661114831.db2.gz UCUSWDRROJOMAI-UHFFFAOYSA-N 0 3 323.440 3.209 20 30 DGEDHN COCCCON=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000795055061 661124423 /nfs/dbraw/zinc/12/44/23/661124423.db2.gz FCZJIBDVNXLPLQ-UHFFFAOYSA-N 0 3 320.433 3.068 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC000969111971 655523676 /nfs/dbraw/zinc/52/36/76/655523676.db2.gz WHEHMZOXWCEKBV-CQSZACIVSA-N 0 3 319.449 3.133 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000969118898 655525011 /nfs/dbraw/zinc/52/50/11/655525011.db2.gz ZKVHGXZEKXGDJL-CEXWTWQISA-N 0 3 312.457 3.337 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000969124542 655525955 /nfs/dbraw/zinc/52/59/55/655525955.db2.gz PGWRNJXTWMXTLO-QGZVFWFLSA-N 0 3 318.848 3.338 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC000969126639 655526272 /nfs/dbraw/zinc/52/62/72/655526272.db2.gz HXKMQLIFESJLEZ-CYBMUJFWSA-N 0 3 308.372 3.125 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001020541159 655546949 /nfs/dbraw/zinc/54/69/49/655546949.db2.gz YZAWRBPFYBXBTE-JOCQHMNTSA-N 0 3 313.228 3.251 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001020598961 655559413 /nfs/dbraw/zinc/55/94/13/655559413.db2.gz CMNLNUSXTMRHGA-HDJSIYSDSA-N 0 3 321.852 3.116 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000969866555 655561318 /nfs/dbraw/zinc/56/13/18/655561318.db2.gz YDZCUWQFIGHHQH-KBAYOESNSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000970075705 655572161 /nfs/dbraw/zinc/57/21/61/655572161.db2.gz CMZQUNKXUOAKJW-MRXNPFEDSA-N 0 3 323.440 3.104 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(CCCC)cc2)C1 ZINC000970100782 655574959 /nfs/dbraw/zinc/57/49/59/655574959.db2.gz MIDRTBNKENYDMY-MRXNPFEDSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001020945261 655582394 /nfs/dbraw/zinc/58/23/94/655582394.db2.gz CONHWIGWYYXZSX-FVQBIDKESA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001021011019 655586424 /nfs/dbraw/zinc/58/64/24/655586424.db2.gz GLZRDFZSFBLUKM-JOCQHMNTSA-N 0 3 304.777 3.036 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001039146734 655586709 /nfs/dbraw/zinc/58/67/09/655586709.db2.gz PNPVARVQKFAQBH-CABCVRRESA-N 0 3 316.848 3.048 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001021123476 655590143 /nfs/dbraw/zinc/59/01/43/655590143.db2.gz JALPZFIFPLCCHF-GWEOLNPGSA-N 0 3 318.848 3.170 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2C2(C)CC2)C1 ZINC000970413945 655598149 /nfs/dbraw/zinc/59/81/49/655598149.db2.gz HKGIGXPOHHVYMP-HNNXBMFYSA-N 0 3 312.457 3.364 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC000970425445 655598783 /nfs/dbraw/zinc/59/87/83/655598783.db2.gz QBYOARUNIXWMEU-AWEZNQCLSA-N 0 3 315.461 3.140 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)cc2Cl)C1 ZINC000970464341 655601143 /nfs/dbraw/zinc/60/11/43/655601143.db2.gz CXMHVQVBKPHBBA-ZDUSSCGKSA-N 0 3 306.837 3.275 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000970465985 655601381 /nfs/dbraw/zinc/60/13/81/655601381.db2.gz AAHBEPRVIYYSEV-OAHLLOKOSA-N 0 3 322.408 3.020 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC000970522947 655604398 /nfs/dbraw/zinc/60/43/98/655604398.db2.gz HCWFGSDMQKJSLL-OAHLLOKOSA-N 0 3 316.445 3.020 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000970593460 655608148 /nfs/dbraw/zinc/60/81/48/655608148.db2.gz MGUNZZQFEUYWSQ-LBPRGKRZSA-N 0 3 308.372 3.250 20 30 DGEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cc(C)cs2)C1 ZINC001039199507 655612080 /nfs/dbraw/zinc/61/20/80/655612080.db2.gz BHLKFLGKFYQNGP-JKSUJKDBSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2sccc2C)C1 ZINC001021494993 655619883 /nfs/dbraw/zinc/61/98/83/655619883.db2.gz GFKQCRBIYJTNQJ-HZPDHXFCSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000970785220 655620457 /nfs/dbraw/zinc/62/04/57/655620457.db2.gz ZLSZBQLWUTVVGH-HNNXBMFYSA-N 0 3 312.457 3.058 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC000970850934 655629664 /nfs/dbraw/zinc/62/96/64/655629664.db2.gz HKFICUKTBCXSKC-CYBMUJFWSA-N 0 3 306.475 3.245 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000970892524 655633670 /nfs/dbraw/zinc/63/36/70/655633670.db2.gz PZBRKXGWFIQHGJ-CQSZACIVSA-N 0 3 304.409 3.069 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)s2)C1 ZINC000970944372 655641030 /nfs/dbraw/zinc/64/10/30/655641030.db2.gz GWASDKLJNZJYBB-CYBMUJFWSA-N 0 3 306.475 3.498 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC000970996093 655648596 /nfs/dbraw/zinc/64/85/96/655648596.db2.gz HVDYUNXDZYSSFK-MRXNPFEDSA-N 0 3 322.452 3.327 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(C)c2)C1 ZINC001021690816 655656271 /nfs/dbraw/zinc/65/62/71/655656271.db2.gz KUGMXDCPQHSHDX-NVXWUHKLSA-N 0 3 316.470 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(C)c2)C1 ZINC001021690822 655656385 /nfs/dbraw/zinc/65/63/85/655656385.db2.gz KUGMXDCPQHSHDX-RDJZCZTQSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCC1(NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)CCC1 ZINC000933300747 655698413 /nfs/dbraw/zinc/69/84/13/655698413.db2.gz CUFDOOUEZUQSHD-UHFFFAOYSA-N 0 3 323.440 3.086 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC000971746836 655724175 /nfs/dbraw/zinc/72/41/75/655724175.db2.gz RLOQGLJSTDDXPT-QGZVFWFLSA-N 0 3 312.457 3.288 20 30 DGEDHN N#CC1(CCCCN2CCOC[C@@H]2C[C@@H]2CCCO2)CCC1 ZINC000933688448 655730330 /nfs/dbraw/zinc/73/03/30/655730330.db2.gz KFGYYNWHFCNEFX-IRXDYDNUSA-N 0 3 306.450 3.120 20 30 DGEDHN CN(Cc1cc(C#N)cs1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000933772663 655732487 /nfs/dbraw/zinc/73/24/87/655732487.db2.gz SUWPDPWPIRLZHQ-OAHLLOKOSA-N 0 3 320.845 3.309 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000971863282 655739008 /nfs/dbraw/zinc/73/90/08/655739008.db2.gz KDPPDYAMBQDLME-GOSISDBHSA-N 0 3 300.446 3.071 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000971901351 655744970 /nfs/dbraw/zinc/74/49/70/655744970.db2.gz FOMHXFNJAQJWAD-QGZVFWFLSA-N 0 3 320.436 3.271 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2csc3ccccc32)C1 ZINC000972032105 655755997 /nfs/dbraw/zinc/75/59/97/655755997.db2.gz DEDLKOHXVUOYLW-ZDUSSCGKSA-N 0 3 300.427 3.234 20 30 DGEDHN Cc1cccc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000127899806 655784070 /nfs/dbraw/zinc/78/40/70/655784070.db2.gz GVLIQPYBWIAXEC-WMLDXEAASA-N 0 3 322.364 3.110 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001022777009 655785730 /nfs/dbraw/zinc/78/57/30/655785730.db2.gz BAWNYJICFINDCN-CWRNSKLLSA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001022809241 655791035 /nfs/dbraw/zinc/79/10/35/655791035.db2.gz HMLBYEJWWPNLBB-AOOOYVTPSA-N 0 3 305.230 3.004 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001022973738 655806488 /nfs/dbraw/zinc/80/64/88/655806488.db2.gz WMXHUFHTMGWQLX-TXEJJXNPSA-N 0 3 310.850 3.228 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000972509283 655812573 /nfs/dbraw/zinc/81/25/73/655812573.db2.gz GHCAAGHPZMNYMJ-IXDOHACOSA-N 0 3 318.848 3.162 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001023390133 655830926 /nfs/dbraw/zinc/83/09/26/655830926.db2.gz DAYUIQBGVFZWPF-CYBMUJFWSA-N 0 3 324.877 3.175 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(CC(C)C)s2)C1 ZINC001023415130 655832753 /nfs/dbraw/zinc/83/27/53/655832753.db2.gz IUCZIDCIJAYJNY-HNNXBMFYSA-N 0 3 318.486 3.022 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001023493518 655837491 /nfs/dbraw/zinc/83/74/91/655837491.db2.gz WUOZTNYNVFJLGB-QGZVFWFLSA-N 0 3 324.468 3.419 20 30 DGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3occc3s2)C1 ZINC001023585428 655845369 /nfs/dbraw/zinc/84/53/69/655845369.db2.gz DHBLVSFXOXMKCE-LBPRGKRZSA-N 0 3 304.415 3.122 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C)cc2Cl)C1 ZINC001023599172 655846148 /nfs/dbraw/zinc/84/61/48/655846148.db2.gz BZTLXMMDMGXZOW-OAHLLOKOSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC000972601602 655846812 /nfs/dbraw/zinc/84/68/12/655846812.db2.gz JMDQSXMCFJDZSS-PXNSSMCTSA-N 0 3 312.457 3.073 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC000972604503 655847634 /nfs/dbraw/zinc/84/76/34/655847634.db2.gz RKFGRDFCLWITQQ-GOSISDBHSA-N 0 3 321.424 3.081 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(F)c3ccccc23)C1 ZINC001023608676 655847642 /nfs/dbraw/zinc/84/76/42/655847642.db2.gz CHUKHKISMZJQJQ-HNNXBMFYSA-N 0 3 324.399 3.054 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(C(CC)CC)no2)C1 ZINC001023634596 655851210 /nfs/dbraw/zinc/85/12/10/655851210.db2.gz MSPYQIMEMAAVNL-CQSZACIVSA-N 0 3 319.449 3.206 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001023685022 655854991 /nfs/dbraw/zinc/85/49/91/655854991.db2.gz BKLXCUVLFMUPLH-KRWDZBQOSA-N 0 3 312.457 3.275 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001023737303 655860022 /nfs/dbraw/zinc/86/00/22/655860022.db2.gz OZJHZWVUDZFKCK-GOSISDBHSA-N 0 3 312.457 3.077 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001023736321 655860149 /nfs/dbraw/zinc/86/01/49/655860149.db2.gz AAMXGQARLRQLIS-INIZCTEOSA-N 0 3 324.424 3.206 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001023764670 655862877 /nfs/dbraw/zinc/86/28/77/655862877.db2.gz OGKMQKPDAJXCDK-INIZCTEOSA-N 0 3 324.424 3.206 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(C)c2Cl)C1 ZINC000972724015 655873882 /nfs/dbraw/zinc/87/38/82/655873882.db2.gz OPAZIGPTTWWRCU-AWEZNQCLSA-N 0 3 306.837 3.289 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000972784677 655882143 /nfs/dbraw/zinc/88/21/43/655882143.db2.gz CBGPIQKUPPMMLJ-QGZVFWFLSA-N 0 3 300.446 3.316 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001024090886 655884371 /nfs/dbraw/zinc/88/43/71/655884371.db2.gz SMXOEBMDORJMLG-CQSZACIVSA-N 0 3 321.490 3.074 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001024453309 655906572 /nfs/dbraw/zinc/90/65/72/655906572.db2.gz HOPBVBKFUAIBNA-ZWKOTPCHSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001024456298 655907362 /nfs/dbraw/zinc/90/73/62/655907362.db2.gz VFCYDVHNRQFXRX-INIZCTEOSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001024464512 655907880 /nfs/dbraw/zinc/90/78/80/655907880.db2.gz XPKJINITIYJUKN-CVEARBPZSA-N 0 3 318.465 3.015 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001024488773 655910194 /nfs/dbraw/zinc/91/01/94/655910194.db2.gz VKFXWOZEBGMYRA-CYBMUJFWSA-N 0 3 324.371 3.133 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001024539552 655914529 /nfs/dbraw/zinc/91/45/29/655914529.db2.gz ATKCTOCSQSKDDY-INIZCTEOSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001024540608 655914657 /nfs/dbraw/zinc/91/46/57/655914657.db2.gz LXYQWYXIXSJSOX-CQSZACIVSA-N 0 3 306.475 3.471 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001024542601 655915301 /nfs/dbraw/zinc/91/53/01/655915301.db2.gz YQEXEXLELIZVOA-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001024570191 655918637 /nfs/dbraw/zinc/91/86/37/655918637.db2.gz JMLXBFVNGYENJC-HUUCEWRRSA-N 0 3 314.420 3.359 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001024673176 655928613 /nfs/dbraw/zinc/92/86/13/655928613.db2.gz JIDWQWPZZMUMPD-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001024676623 655929317 /nfs/dbraw/zinc/92/93/17/655929317.db2.gz XGFGWTHNSJTTIK-AWEZNQCLSA-N 0 3 322.811 3.087 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001024680385 655930154 /nfs/dbraw/zinc/93/01/54/655930154.db2.gz IPKHNSJOPZWHAJ-INIZCTEOSA-N 0 3 316.445 3.164 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001024695517 655931226 /nfs/dbraw/zinc/93/12/26/655931226.db2.gz AFJLXNWURVXYNA-HUUCEWRRSA-N 0 3 319.449 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001024694208 655931868 /nfs/dbraw/zinc/93/18/68/655931868.db2.gz DYSNIPVMCQFXST-RSPOEFSDSA-N 0 3 324.468 3.119 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001024715688 655933038 /nfs/dbraw/zinc/93/30/38/655933038.db2.gz JRLRPUVIUNQMQH-INIZCTEOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001024737255 655934514 /nfs/dbraw/zinc/93/45/14/655934514.db2.gz HBIIQDKKLLONEV-INIZCTEOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001024746532 655934991 /nfs/dbraw/zinc/93/49/91/655934991.db2.gz BYTGSGHUKFKKEZ-LJQANCHMSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001024760328 655935958 /nfs/dbraw/zinc/93/59/58/655935958.db2.gz SJYXEHORXOFWOZ-HNNXBMFYSA-N 0 3 319.449 3.096 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001024771951 655937247 /nfs/dbraw/zinc/93/72/47/655937247.db2.gz NNAPETPJYBFLEM-KZNAEPCWSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001024816085 655942247 /nfs/dbraw/zinc/94/22/47/655942247.db2.gz BAVWKEYBDGPDAR-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947652322 655951495 /nfs/dbraw/zinc/95/14/95/655951495.db2.gz AOLWPGVQUDRUAM-HUUCEWRRSA-N 0 3 302.418 3.009 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001025196308 655976708 /nfs/dbraw/zinc/97/67/08/655976708.db2.gz SPBVXLOTQPPLGN-RTBURBONSA-N 0 3 316.489 3.436 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001025228935 655982240 /nfs/dbraw/zinc/98/22/40/655982240.db2.gz DYHGJJFFNCSXAT-RBUKOAKNSA-N 0 3 314.473 3.356 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC(CC1)C2 ZINC001025245536 655984321 /nfs/dbraw/zinc/98/43/21/655984321.db2.gz NXRCXNOZIZUFBY-NRGCRIOASA-N 0 3 314.473 3.045 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C1CC1 ZINC001025264248 655986058 /nfs/dbraw/zinc/98/60/58/655986058.db2.gz YOYQOPCSNJMRDV-ROUUACIJSA-N 0 3 316.489 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260647 655986580 /nfs/dbraw/zinc/98/65/80/655986580.db2.gz YUDVEESUIURFEN-IRXDYDNUSA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001025291470 655989362 /nfs/dbraw/zinc/98/93/62/655989362.db2.gz ABCJFWCOYNVSQU-MOPGFXCFSA-N 0 3 310.441 3.087 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1ccccc1 ZINC001025291873 655989383 /nfs/dbraw/zinc/98/93/83/655989383.db2.gz BWZSNAOIRLXWFQ-WOJBJXKFSA-N 0 3 324.468 3.098 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025361841 655999644 /nfs/dbraw/zinc/99/96/44/655999644.db2.gz RJYPCKJWTQBCPI-FUHWJXTLSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCCCCCC2)C1 ZINC001025483275 656021772 /nfs/dbraw/zinc/02/17/72/656021772.db2.gz WXGNLTTYFDTUQH-SJLPKXTDSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC001025519796 656026421 /nfs/dbraw/zinc/02/64/21/656026421.db2.gz QDEOFTRYBZCSNC-HOCLYGCPSA-N 0 3 314.429 3.011 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001025523722 656027921 /nfs/dbraw/zinc/02/79/21/656027921.db2.gz LZDDXRGIBFPDIP-CRAIPNDOSA-N 0 3 323.440 3.022 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2CCC)C1 ZINC001025592222 656041242 /nfs/dbraw/zinc/04/12/42/656041242.db2.gz LVACWGOOGGYCHX-HZPDHXFCSA-N 0 3 316.445 3.086 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001025596872 656042612 /nfs/dbraw/zinc/04/26/12/656042612.db2.gz IMXLWKWZDOKTIO-JXFKEZNVSA-N 0 3 322.452 3.110 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001025628706 656051267 /nfs/dbraw/zinc/05/12/67/656051267.db2.gz UHRKIKITNRNKKM-KXBFYZLASA-N 0 3 310.441 3.028 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC001025632494 656052742 /nfs/dbraw/zinc/05/27/42/656052742.db2.gz LFPARFGROFXHOI-CRAIPNDOSA-N 0 3 316.420 3.010 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025633613 656052856 /nfs/dbraw/zinc/05/28/56/656052856.db2.gz WYQCRHWYRPUKTR-RDJZCZTQSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC001025634145 656053508 /nfs/dbraw/zinc/05/35/08/656053508.db2.gz ZRFLZBFXZSQNRH-HOTGVXAUSA-N 0 3 316.445 3.257 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001026150115 656085078 /nfs/dbraw/zinc/08/50/78/656085078.db2.gz WBMKWYIFOKTCIR-LINSHTSCSA-N 0 3 318.505 3.461 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2F)C[C@H]1C ZINC000947671600 656113138 /nfs/dbraw/zinc/11/31/38/656113138.db2.gz NGRHABZTSQPVMZ-NEPJUHHUSA-N 0 3 310.800 3.248 20 30 DGEDHN N#Cc1sccc1N1CCN(CC2CCC(C#N)CC2)CC1 ZINC000930928338 656156030 /nfs/dbraw/zinc/15/60/30/656156030.db2.gz DRPXANQHUICNRK-UHFFFAOYSA-N 0 3 314.458 3.072 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccccc2)c([O-])c1 ZINC000299737985 656222971 /nfs/dbraw/zinc/22/29/71/656222971.db2.gz LHZSIDBIIKPVFW-KYYPIKSYSA-N 0 3 312.413 3.391 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3cccnc32)C(C)(C)C1 ZINC000974778557 656229142 /nfs/dbraw/zinc/22/91/42/656229142.db2.gz CSNMOXYLUPNOHR-KRWDZBQOSA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974855643 656235112 /nfs/dbraw/zinc/23/51/12/656235112.db2.gz OUEHSLXZYVEGSK-NXOAAHMSSA-N 0 3 304.478 3.215 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)ccc2C2CC2)C(C)(C)C1 ZINC000974859694 656236676 /nfs/dbraw/zinc/23/66/76/656236676.db2.gz BXDKWVFVWZRYJC-IBGZPJMESA-N 0 3 324.468 3.336 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)c2cccs2)C(C)(C)C1 ZINC000974916185 656241033 /nfs/dbraw/zinc/24/10/33/656241033.db2.gz XIWHQPMPYGZBAY-CQSZACIVSA-N 0 3 320.502 3.428 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C(C2CCC2)C2CCC2)C(C)(C)C1 ZINC000974982344 656247931 /nfs/dbraw/zinc/24/79/31/656247931.db2.gz GUCRPXITOJRULI-KRWDZBQOSA-N 0 3 316.489 3.053 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3cc[nH]c32)C(C)(C)C1 ZINC000975063655 656252463 /nfs/dbraw/zinc/25/24/63/656252463.db2.gz LNPCLKVWWLXSKH-MRXNPFEDSA-N 0 3 311.429 3.184 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975064256 656252530 /nfs/dbraw/zinc/25/25/30/656252530.db2.gz KGRAGUNUROIXKF-INIZCTEOSA-N 0 3 300.446 3.320 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C(C)(C)C1 ZINC000975105180 656256608 /nfs/dbraw/zinc/25/66/08/656256608.db2.gz BCCCQYABWJYEGB-YRNRMSPPSA-N 0 3 318.505 3.299 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001009587405 656296829 /nfs/dbraw/zinc/29/68/29/656296829.db2.gz NHERGHLMILVBNK-DZGCQCFKSA-N 0 3 322.399 3.225 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001027519247 656327797 /nfs/dbraw/zinc/32/77/97/656327797.db2.gz IKMWWQZZLFOZJQ-HNNXBMFYSA-N 0 3 318.848 3.126 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C(C)(C)C1 ZINC000977484244 656334121 /nfs/dbraw/zinc/33/41/21/656334121.db2.gz JAQJIKPUFIVYLF-QGZVFWFLSA-N 0 3 317.477 3.230 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)cc2C)C(C)(C)C1 ZINC000977492617 656334617 /nfs/dbraw/zinc/33/46/17/656334617.db2.gz HAQMRHOXCYDIER-MRXNPFEDSA-N 0 3 304.409 3.150 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc3ccccc32)C(C)(C)C1 ZINC000977493322 656335144 /nfs/dbraw/zinc/33/51/44/656335144.db2.gz AMYXWEIRDXSNRT-LJQANCHMSA-N 0 3 322.452 3.395 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2C2CCC2)C(C)(C)C1 ZINC000977539461 656340728 /nfs/dbraw/zinc/34/07/28/656340728.db2.gz PSOQNIBSRTWEBF-LJQANCHMSA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000977565345 656345403 /nfs/dbraw/zinc/34/54/03/656345403.db2.gz XBOBOYPVETXAMO-KRWDZBQOSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C(C)(C)C1 ZINC000977607472 656347686 /nfs/dbraw/zinc/34/76/86/656347686.db2.gz WOIIDJMESNKTHB-MRXNPFEDSA-N 0 3 318.436 3.459 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)C(C)(C)C1 ZINC000977636401 656349662 /nfs/dbraw/zinc/34/96/62/656349662.db2.gz CGYWDAZGPBDIHN-DLBZAZTESA-N 0 3 317.477 3.069 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C2CC(c3ccccc3)C2)C(C)(C)C1 ZINC000977639843 656350574 /nfs/dbraw/zinc/35/05/74/656350574.db2.gz LIXMZHIGGJEQLJ-ACBHZAAOSA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C(C)(C)C1 ZINC000977646646 656352282 /nfs/dbraw/zinc/35/22/82/656352282.db2.gz UXLRVOLEKPAQRV-YLJYHZDGSA-N 0 3 316.489 3.363 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2cnc(C(C)C)s2)C(C)(C)C1 ZINC000977669138 656354860 /nfs/dbraw/zinc/35/48/60/656354860.db2.gz HFRNSWMHUJMMOH-AWEZNQCLSA-N 0 3 321.490 3.283 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC001027577610 656364212 /nfs/dbraw/zinc/36/42/12/656364212.db2.gz OQMJLEGBSKSXQY-GOSISDBHSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC001027591562 656368088 /nfs/dbraw/zinc/36/80/88/656368088.db2.gz WGVOEONJOBLCER-HNNXBMFYSA-N 0 3 324.399 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001027599926 656371018 /nfs/dbraw/zinc/37/10/18/656371018.db2.gz STIBFAJCPBJBMT-AEFFLSMTSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001027643956 656383787 /nfs/dbraw/zinc/38/37/87/656383787.db2.gz SJMAMSANCBYXFK-QWHCGFSZSA-N 0 3 324.877 3.061 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001027663299 656389362 /nfs/dbraw/zinc/38/93/62/656389362.db2.gz ZIFVLZUNIXUCTP-GOSISDBHSA-N 0 3 312.457 3.154 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(OC(C)C)cc2)CC1 ZINC001006371136 661258265 /nfs/dbraw/zinc/25/82/65/661258265.db2.gz XITDXWSEMVDQSI-UHFFFAOYSA-N 0 3 316.445 3.196 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sccc2C(C)C)C1 ZINC001027690810 656397049 /nfs/dbraw/zinc/39/70/49/656397049.db2.gz RKNVZMHZBOXIEH-CQSZACIVSA-N 0 3 304.459 3.041 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CC)C1 ZINC001027699714 656399603 /nfs/dbraw/zinc/39/96/03/656399603.db2.gz JIYYQPMACJBDPD-OAHLLOKOSA-N 0 3 324.424 3.165 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)n(C(C)C)c2C)CC1 ZINC001006386466 661262411 /nfs/dbraw/zinc/26/24/11/661262411.db2.gz FRDDHRHKUASEHV-UHFFFAOYSA-N 0 3 317.477 3.408 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2sccc2Cl)CC1 ZINC001052396144 656432549 /nfs/dbraw/zinc/43/25/49/656432549.db2.gz APXIYRKPQUWLAB-LBPRGKRZSA-N 0 3 310.850 3.009 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3CCCC3)C[C@H]2C1 ZINC000979505529 656433353 /nfs/dbraw/zinc/43/33/53/656433353.db2.gz SJGULBRVYDECFI-HRCADAONSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccoc3C)C[C@H]2C1 ZINC000979535058 656435076 /nfs/dbraw/zinc/43/50/76/656435076.db2.gz UWCZHVUGLCDFRQ-SOUVJXGZSA-N 0 3 322.836 3.171 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3sccc3s2)CC1 ZINC001052491301 656439361 /nfs/dbraw/zinc/43/93/61/656439361.db2.gz AVWZQCRZXUTRLC-GFCCVEGCSA-N 0 3 318.467 3.180 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC3CCC3)C[C@H]2C1 ZINC000979659458 656439849 /nfs/dbraw/zinc/43/98/49/656439849.db2.gz YBYOVQWXVYRIQB-HRCADAONSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(C)=C3CCC3)C[C@@H]2C1 ZINC000979671910 656441076 /nfs/dbraw/zinc/44/10/76/656441076.db2.gz HGDINJFFGAYUOM-BBWFWOEESA-N 0 3 322.880 3.456 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(c3ccccc3C)CCC2)C1 ZINC000980281642 656478140 /nfs/dbraw/zinc/47/81/40/656478140.db2.gz OOVHPDIMONNPHF-KRWDZBQOSA-N 0 3 312.457 3.135 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000980330295 656487789 /nfs/dbraw/zinc/48/77/89/656487789.db2.gz GWRRFYHCMVDWRB-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]ccc2c1 ZINC001039426380 656499000 /nfs/dbraw/zinc/49/90/00/656499000.db2.gz DBMIMCFVYBQGTJ-MSOLQXFVSA-N 0 3 323.440 3.423 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001039431545 656500704 /nfs/dbraw/zinc/50/07/04/656500704.db2.gz HTHTXKYSHAGFLL-BBWFWOEESA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001039458209 656506521 /nfs/dbraw/zinc/50/65/21/656506521.db2.gz JWRGEEHVEBHUPI-JQHSSLGASA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000980454633 656507791 /nfs/dbraw/zinc/50/77/91/656507791.db2.gz VQAADPVQRBBVBR-QZTJIDSGSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(CC)oc3ccccc32)C1 ZINC000980503232 656515850 /nfs/dbraw/zinc/51/58/50/656515850.db2.gz MDYSGOLWHPQJGU-CQSZACIVSA-N 0 3 312.413 3.328 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCCc3ccccc32)C1 ZINC000980504017 656515988 /nfs/dbraw/zinc/51/59/88/656515988.db2.gz PCAPWIIPSHPYQW-MJGOQNOKSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001027943073 656517137 /nfs/dbraw/zinc/51/71/37/656517137.db2.gz JYXPBIBQHLDPDT-KZNAEPCWSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2oc3ccccc3c2CC)C1 ZINC000980522241 656519458 /nfs/dbraw/zinc/51/94/58/656519458.db2.gz VULBUBZTGIQJKU-AWEZNQCLSA-N 0 3 312.413 3.328 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)C1 ZINC001039822360 656535662 /nfs/dbraw/zinc/53/56/62/656535662.db2.gz ZEQHGXVXFJZCRT-UCUFBTAOSA-N 0 3 304.478 3.310 20 30 DGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039906343 656541254 /nfs/dbraw/zinc/54/12/54/656541254.db2.gz 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657046009 /nfs/dbraw/zinc/04/60/09/657046009.db2.gz AUSWMGLAQLMIMY-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC001045642596 657047598 /nfs/dbraw/zinc/04/75/98/657047598.db2.gz JGUNOFFFRIVMIQ-UHFFFAOYSA-N 0 3 316.420 3.050 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2sc(C(C)C)nc2C)CC1 ZINC001045638845 657047928 /nfs/dbraw/zinc/04/79/28/657047928.db2.gz MZLZISBFOBQVIC-UHFFFAOYSA-N 0 3 321.490 3.345 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2Cc3c2cccc3Cl)CC1 ZINC001045651651 657050271 /nfs/dbraw/zinc/05/02/71/657050271.db2.gz SUNWWBLHVXBESF-OAHLLOKOSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cnc(CC(C)C)s2)CC1 ZINC001045652121 657050658 /nfs/dbraw/zinc/05/06/58/657050658.db2.gz OITFHTQNARHMGF-UHFFFAOYSA-N 0 3 321.490 3.112 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2coc3ccc(CC)cc23)C1 ZINC001028537368 657067531 /nfs/dbraw/zinc/06/75/31/657067531.db2.gz AOAUHSBQNHAKNA-INIZCTEOSA-N 0 3 324.424 3.070 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3csc(C)c3)C[C@]2(C)C1 ZINC000982651237 657075432 /nfs/dbraw/zinc/07/54/32/657075432.db2.gz IODKYZNHIRQSDL-CALCHBBNSA-N 0 3 304.459 3.027 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@H]1CCc2ccccc2OC1 ZINC000338317812 657077423 /nfs/dbraw/zinc/07/74/23/657077423.db2.gz VWTFHEQTCCSMIA-KRWDZBQOSA-N 0 3 308.381 3.050 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001028579346 657080796 /nfs/dbraw/zinc/08/07/96/657080796.db2.gz CGUNPDQMWVBADU-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN CN(C)Cc1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000047453863 657083656 /nfs/dbraw/zinc/08/36/56/657083656.db2.gz XPOGGGGZROGUFQ-ZHACJKMWSA-N 0 3 305.381 3.272 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)c3sccc3C)CC2)CC1 ZINC001000055114 657089210 /nfs/dbraw/zinc/08/92/10/657089210.db2.gz GCJGCKWCTIETJX-UHFFFAOYSA-N 0 3 316.470 3.054 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H]3CCCC[C@H]3C)C[C@]2(C)C1 ZINC000982843157 657102611 /nfs/dbraw/zinc/10/26/11/657102611.db2.gz LRTYQEGVLSBDPY-LFGUQSLTSA-N 0 3 316.489 3.006 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001028629686 657104994 /nfs/dbraw/zinc/10/49/94/657104994.db2.gz QHBGPCBFKCHKOR-DFQSSKMNSA-N 0 3 324.468 3.032 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@]1(C)C=CCC1)C2 ZINC001045959291 657106207 /nfs/dbraw/zinc/10/62/07/657106207.db2.gz MLSVRXJHDWZXEI-PMACEKPBSA-N 0 3 314.473 3.071 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)C1CC1)C2 ZINC001045962131 657106827 /nfs/dbraw/zinc/10/68/27/657106827.db2.gz XMRQFTIEYMRFRC-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3C[C@]3(C)C(C)C)CC2)CC1 ZINC001000304456 657111097 /nfs/dbraw/zinc/11/10/97/657111097.db2.gz HBGZYXOIKSRORS-IEBWSBKVSA-N 0 3 316.489 3.053 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001045980595 657111443 /nfs/dbraw/zinc/11/14/43/657111443.db2.gz CWMOMCUCGLCSDQ-BJLQDIEVSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C1CCCC1)C2 ZINC001045978515 657111603 /nfs/dbraw/zinc/11/16/03/657111603.db2.gz DDEKFYMPOCMROA-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001046360749 657152670 /nfs/dbraw/zinc/15/26/70/657152670.db2.gz CYHKIYXGJICXOV-LJQANCHMSA-N 0 3 311.429 3.018 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(CCCC)cc2)C1 ZINC001046465629 657165843 /nfs/dbraw/zinc/16/58/43/657165843.db2.gz RCANYTAQHHEUHG-FQEVSTJZSA-N 0 3 312.457 3.247 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001046537353 657173885 /nfs/dbraw/zinc/17/38/85/657173885.db2.gz NAIKASSSLATVDZ-GOSISDBHSA-N 0 3 318.848 3.174 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)CC1 ZINC001001092180 657182718 /nfs/dbraw/zinc/18/27/18/657182718.db2.gz INSTVQQUWDFNGC-VQTJNVASSA-N 0 3 324.468 3.287 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001046693172 657204696 /nfs/dbraw/zinc/20/46/96/657204696.db2.gz PKWQWGYJAVCZFC-FQEVSTJZSA-N 0 3 310.441 3.416 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001046697739 657205364 /nfs/dbraw/zinc/20/53/64/657205364.db2.gz QNWVXLIMOMZGFP-NSHGMRRFSA-N 0 3 312.457 3.255 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(C)c2Cl)C1 ZINC001046709993 657207211 /nfs/dbraw/zinc/20/72/11/657207211.db2.gz TVAKUZYEJRICMO-KRWDZBQOSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2[nH]c3ccc(C)cc3c2C)CC1 ZINC001001325654 657207693 /nfs/dbraw/zinc/20/76/93/657207693.db2.gz UACALORWNBCRQU-UHFFFAOYSA-N 0 3 323.440 3.333 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001046718968 657208471 /nfs/dbraw/zinc/20/84/71/657208471.db2.gz DPIBGZSOJRIIHJ-HXUWFJFHSA-N 0 3 312.457 3.202 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc3sccc3c2)C1 ZINC001046744587 657210564 /nfs/dbraw/zinc/21/05/64/657210564.db2.gz YDBHFTSCLQNXFV-SFHVURJKSA-N 0 3 312.438 3.119 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2sccc2C(F)F)CC1 ZINC001001412373 657216478 /nfs/dbraw/zinc/21/64/78/657216478.db2.gz KESHUPGVYMKXMF-UHFFFAOYSA-N 0 3 312.385 3.234 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001028928735 657223451 /nfs/dbraw/zinc/22/34/51/657223451.db2.gz OUVCORNFXFBVKP-OAHLLOKOSA-N 0 3 318.848 3.032 20 30 DGEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001028929448 657224334 /nfs/dbraw/zinc/22/43/34/657224334.db2.gz GDKAQDKOOBNNII-MRXNPFEDSA-N 0 3 310.441 3.029 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001050022415 657236953 /nfs/dbraw/zinc/23/69/53/657236953.db2.gz OKZZBPHQXAAYLA-JKSUJKDBSA-N 0 3 302.418 3.009 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001046868346 657240337 /nfs/dbraw/zinc/24/03/37/657240337.db2.gz QKUDTWAQQUOBGN-QLOJAFMTSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001050056240 657242926 /nfs/dbraw/zinc/24/29/26/657242926.db2.gz URQNZTKBICVMIX-FGTMMUONSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3sc(C)cc3C)[C@@H]2C1 ZINC001050055517 657243304 /nfs/dbraw/zinc/24/33/04/657243304.db2.gz DJIKMZBFGAVKDP-JKSUJKDBSA-N 0 3 318.486 3.477 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CC3(c4ccccc4)CC3)[C@@H]2C1 ZINC001050062235 657243439 /nfs/dbraw/zinc/24/34/39/657243439.db2.gz KRPSNRUWLBBZDJ-PKOBYXMFSA-N 0 3 324.468 3.217 20 30 DGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001046889557 657243573 /nfs/dbraw/zinc/24/35/73/657243573.db2.gz KZRZWNKGASGBTL-FQEVSTJZSA-N 0 3 312.457 3.029 20 30 DGEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001046911376 657245531 /nfs/dbraw/zinc/24/55/31/657245531.db2.gz BHFMTKCSXOOODW-MRXNPFEDSA-N 0 3 322.399 3.258 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001028974358 657247056 /nfs/dbraw/zinc/24/70/56/657247056.db2.gz HMPALPZRERUJNJ-ADKAHSJRSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccoc3C3CC3)[C@@H]2C1 ZINC001050125300 657254373 /nfs/dbraw/zinc/25/43/73/657254373.db2.gz WKBVTKNVSYBZHW-DOTOQJQBSA-N 0 3 314.429 3.270 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001029007625 657261778 /nfs/dbraw/zinc/26/17/78/657261778.db2.gz GARLRDSVBLEOGF-SJORKVTESA-N 0 3 312.457 3.275 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](F)CC3CCCCC3)[C@@H]2C1 ZINC001050183729 657265451 /nfs/dbraw/zinc/26/54/51/657265451.db2.gz PBQXNJMCWMEDAZ-RCCFBDPRSA-N 0 3 322.468 3.404 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001050184230 657265572 /nfs/dbraw/zinc/26/55/72/657265572.db2.gz QEZICSPTQRKGTN-YTQUADARSA-N 0 3 312.457 3.207 20 30 DGEDHN CC(=O)NCc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC001050256156 657277550 /nfs/dbraw/zinc/27/75/50/657277550.db2.gz NLDIDVOQTXDDPC-AWEZNQCLSA-N 0 3 307.397 3.045 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)CC(C)C)C2)CC1 ZINC001047220912 657280892 /nfs/dbraw/zinc/28/08/92/657280892.db2.gz KBZGOXWFKREQKH-GOSISDBHSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C3CCCCC3)C2)CC1 ZINC001047222370 657281171 /nfs/dbraw/zinc/28/11/71/657281171.db2.gz XKPIORZRHUZLEU-LJQANCHMSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C(C)(C)C(=C)C)C2)CC1 ZINC001047248100 657285998 /nfs/dbraw/zinc/28/59/98/657285998.db2.gz OOJQZFJKNPMRSN-SFHVURJKSA-N 0 3 316.489 3.173 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C3(C)CCCC3)C2)CC1 ZINC001047247235 657286102 /nfs/dbraw/zinc/28/61/02/657286102.db2.gz HRCBIIMSPSPFCB-SFHVURJKSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCN2C[C@H](C)CC)cc1 ZINC001038427642 657304537 /nfs/dbraw/zinc/30/45/37/657304537.db2.gz KWAFHBFVMZTURW-NVXWUHKLSA-N 0 3 316.445 3.102 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)c3cc4ccccc4s3)C2)CC1 ZINC001050583332 657327294 /nfs/dbraw/zinc/32/72/94/657327294.db2.gz HFPWLBSRNUKWKC-UHFFFAOYSA-N 0 3 324.449 3.073 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](C)C3CCCCC3)C2)CC1 ZINC001050698957 657344996 /nfs/dbraw/zinc/34/49/96/657344996.db2.gz YRLXZTXAZDJAHB-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC001050768956 657359486 /nfs/dbraw/zinc/35/94/86/657359486.db2.gz GGJXLAMDALQZMW-QGZVFWFLSA-N 0 3 316.489 3.151 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)c3c[nH]cc3C)cccc2C1 ZINC001051306566 657385546 /nfs/dbraw/zinc/38/55/46/657385546.db2.gz FTHFXMGATVVVLW-UHFFFAOYSA-N 0 3 323.440 3.187 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354039 657392233 /nfs/dbraw/zinc/39/22/33/657392233.db2.gz LZVBUSKEKJOUQE-HIFRSBDPSA-N 0 3 314.420 3.215 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC000968354664 657392390 /nfs/dbraw/zinc/39/23/90/657392390.db2.gz VCSCZVBJHMUEJA-WMZOPIPTSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC000968382871 657400669 /nfs/dbraw/zinc/40/06/69/657400669.db2.gz WWSKHTQGHGBMCU-ZBFHGGJFSA-N 0 3 319.449 3.204 20 30 DGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2sc(C)cc2OC)C1 ZINC000968386901 657402497 /nfs/dbraw/zinc/40/24/97/657402497.db2.gz QWBCGQHALNLFJZ-OCCSQVGLSA-N 0 3 322.474 3.081 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000968413978 657408909 /nfs/dbraw/zinc/40/89/09/657408909.db2.gz NXJRFIHFHZGRGB-BBRMVZONSA-N 0 3 320.383 3.088 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968440660 657412242 /nfs/dbraw/zinc/41/22/42/657412242.db2.gz ZVVXIVDNGFZGDO-HNAYVOBHSA-N 0 3 323.440 3.251 20 30 DGEDHN COc1cccc(/C=N/C[C@@H](c2ccc(F)cc2)N(C)C)c1O ZINC000126917224 657414861 /nfs/dbraw/zinc/41/48/61/657414861.db2.gz OSAAAFQXSCPRRI-YODDIOPGSA-N 0 3 316.376 3.262 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC000968506131 657419367 /nfs/dbraw/zinc/41/93/67/657419367.db2.gz SHYGAJTUURGKDD-APWZRJJASA-N 0 3 312.457 3.274 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC000968561753 657427538 /nfs/dbraw/zinc/42/75/38/657427538.db2.gz NSMKUIRUCBHKQW-CRAIPNDOSA-N 0 3 318.436 3.079 20 30 DGEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000968566380 657428254 /nfs/dbraw/zinc/42/82/54/657428254.db2.gz RTDIOXZIPKBIKO-BRSBDYLESA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968614502 657442640 /nfs/dbraw/zinc/44/26/40/657442640.db2.gz LBNIVNWMKLCGGT-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC000968661013 657452350 /nfs/dbraw/zinc/45/23/50/657452350.db2.gz RMJNRSAJMCJDFJ-JKSUJKDBSA-N 0 3 303.450 3.085 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC000968670413 657454168 /nfs/dbraw/zinc/45/41/68/657454168.db2.gz XOQGUQBKWDKLIP-FXQQTDPRSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968691932 657461315 /nfs/dbraw/zinc/46/13/15/657461315.db2.gz KGMWMHKTHMCJAF-KBPBESRZSA-N 0 3 321.490 3.112 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1sccc1F ZINC000968847468 657501342 /nfs/dbraw/zinc/50/13/42/657501342.db2.gz WOAPGJJOMPRJBH-ZDUSSCGKSA-N 0 3 310.438 3.438 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000968856548 657503286 /nfs/dbraw/zinc/50/32/86/657503286.db2.gz KECDSQCYIINSMY-MSOLQXFVSA-N 0 3 316.489 3.341 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000968890605 657511394 /nfs/dbraw/zinc/51/13/94/657511394.db2.gz LTBJOQPYHBPZPO-CQSZACIVSA-N 0 3 308.372 3.125 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC000968901694 657512709 /nfs/dbraw/zinc/51/27/09/657512709.db2.gz FBGZNXUBQUBYSF-SFHVURJKSA-N 0 3 315.461 3.195 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC000968936863 657518849 /nfs/dbraw/zinc/51/88/49/657518849.db2.gz SNVOCWITVRQYEO-INIZCTEOSA-N 0 3 315.461 3.365 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC000968938406 657518892 /nfs/dbraw/zinc/51/88/92/657518892.db2.gz HTMOXXGFLGJRNZ-INIZCTEOSA-N 0 3 323.440 3.395 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000968962613 657523691 /nfs/dbraw/zinc/52/36/91/657523691.db2.gz KAWNWTPHEDIMAO-AKHDSKFASA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1csc(C)n1 ZINC000969002678 657530483 /nfs/dbraw/zinc/53/04/83/657530483.db2.gz ZWJOVBDNPOQJKP-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC000969046677 657543190 /nfs/dbraw/zinc/54/31/90/657543190.db2.gz RUFDHDPBTXENIU-CQSZACIVSA-N 0 3 321.852 3.286 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC000969097735 657555183 /nfs/dbraw/zinc/55/51/83/657555183.db2.gz PPTKTZBDQSPLKT-HNNXBMFYSA-N 0 3 317.433 3.021 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001007482054 657611949 /nfs/dbraw/zinc/61/19/49/657611949.db2.gz CPYBYBXSLVOFQG-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001007530695 657617106 /nfs/dbraw/zinc/61/71/06/657617106.db2.gz BYEZDKVVXGYLDK-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001007596005 657620957 /nfs/dbraw/zinc/62/09/57/657620957.db2.gz 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C=C(C)CN1CC[C@@]2(NC(=O)c3ccoc3C3CC3)CCC[C@@H]12 ZINC000992137788 659471537 /nfs/dbraw/zinc/47/15/37/659471537.db2.gz PZZRNYUOPFONJR-APWZRJJASA-N 0 3 314.429 3.460 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccn(C(C)C)c3C)CCC[C@H]12 ZINC000992147649 659473016 /nfs/dbraw/zinc/47/30/16/659473016.db2.gz KWAWOFMVSBGUGG-HKUYNNGSSA-N 0 3 315.461 3.290 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3cnc4ccccc4c3)CCC[C@H]12 ZINC000992271062 659505188 /nfs/dbraw/zinc/50/51/88/659505188.db2.gz LXIVUVJMHRQJSW-AZUAARDMSA-N 0 3 321.424 3.148 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3cnc4ccccc4c3)CCC[C@@H]12 ZINC000992271071 659505636 /nfs/dbraw/zinc/50/56/36/659505636.db2.gz LXIVUVJMHRQJSW-UYAOXDASSA-N 0 3 321.424 3.148 20 30 DGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C(C)C)no3)CCC[C@@H]12 ZINC000992285845 659509609 /nfs/dbraw/zinc/50/96/09/659509609.db2.gz NOAGEKFDAKZQJW-AEFFLSMTSA-N 0 3 317.433 3.101 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)c3csc(C(C)C)n3)CCC[C@H]12 ZINC000992313077 659521550 /nfs/dbraw/zinc/52/15/50/659521550.db2.gz 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C#CCCN1CC[C@]2(NC(=O)c3cc4ccccc4o3)CCC[C@H]12 ZINC000992452902 659552525 /nfs/dbraw/zinc/55/25/25/659552525.db2.gz JMGFJBISRQPFJE-AZUAARDMSA-N 0 3 322.408 3.183 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)c(C)s3)CCC[C@@H]12 ZINC000992460682 659556263 /nfs/dbraw/zinc/55/62/63/659556263.db2.gz CCANGDKAAADWJM-NVXWUHKLSA-N 0 3 304.459 3.278 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992471605 659558648 /nfs/dbraw/zinc/55/86/48/659558648.db2.gz WGGWFDDATQGZLJ-AZUAARDMSA-N 0 3 310.441 3.054 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)cc3Cl)CCC[C@H]12 ZINC000992489029 659562143 /nfs/dbraw/zinc/56/21/43/659562143.db2.gz KGPHECWWALBXJN-DOTOQJQBSA-N 0 3 322.811 3.392 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992516087 659568561 /nfs/dbraw/zinc/56/85/61/659568561.db2.gz NGUACHSQSDIBKM-FCJNSDPXSA-N 0 3 304.478 3.358 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CC3CCC(C)(C)CC3)CCC[C@@H]12 ZINC000992543294 659574038 /nfs/dbraw/zinc/57/40/38/659574038.db2.gz 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C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)CC[C@H]1C ZINC001072049953 686845027 /nfs/dbraw/zinc/84/50/27/686845027.db2.gz RZQSMGWSEYIXQW-OXQOHEQNSA-N 0 3 324.468 3.171 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)CC[C@H]1C ZINC001072072942 686856797 /nfs/dbraw/zinc/85/67/97/686856797.db2.gz QXDDPPZOJUOJPE-WBVHZDCISA-N 0 3 323.440 3.450 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C4CCC4)cc3)C2)C1 ZINC001072797487 686961608 /nfs/dbraw/zinc/96/16/08/686961608.db2.gz ZHGBTZFDHSNBGX-UHFFFAOYSA-N 0 3 310.441 3.288 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)C3CCCCC3)C2)C1 ZINC001073055154 687006869 /nfs/dbraw/zinc/00/68/69/687006869.db2.gz YTMNEJJIJZUOSR-MRXNPFEDSA-N 0 3 304.478 3.313 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(F)F)cc3F)C2)C1 ZINC001073078737 687008845 /nfs/dbraw/zinc/00/88/45/687008845.db2.gz XLEGNIYIWVQSFG-UHFFFAOYSA-N 0 3 324.346 3.097 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3[nH]ccc3-c3ccccc3)C2)C1 ZINC001073120987 687014276 /nfs/dbraw/zinc/01/42/76/687014276.db2.gz FEWYWSAYOIUFEP-UHFFFAOYSA-N 0 3 321.424 3.016 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC001073147913 687019600 /nfs/dbraw/zinc/01/96/00/687019600.db2.gz WCJXCJAJVFCLNG-UHFFFAOYSA-N 0 3 306.409 3.174 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3ccc([C@H](C)CC)cc3)C2)C1 ZINC001073461901 687197792 /nfs/dbraw/zinc/19/77/92/687197792.db2.gz KMTBVHOZFVRTQS-QGZVFWFLSA-N 0 3 324.468 3.371 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076334663 687508824 /nfs/dbraw/zinc/50/88/24/687508824.db2.gz CQPJGVGLIGLWFD-VNTMZGSJSA-N 0 3 324.468 3.126 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)[C@@H]2C1 ZINC001076348170 687510824 /nfs/dbraw/zinc/51/08/24/687510824.db2.gz ZGDBHUMGLRYFBE-IJXRJRJASA-N 0 3 324.468 3.207 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001076348136 687511054 /nfs/dbraw/zinc/51/10/54/687511054.db2.gz XQCJXPCYRLQRPH-PXCRPINLSA-N 0 3 324.468 3.289 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)C3CCCCC3)[C@@H]2C1 ZINC001076353538 687513015 /nfs/dbraw/zinc/51/30/15/687513015.db2.gz KIYDQNXIALSQMJ-BPQIPLTHSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)[C@@H]2C1 ZINC001076442585 687524020 /nfs/dbraw/zinc/52/40/20/687524020.db2.gz YUMMAWUBKIAFSX-FRRDWIJNSA-N 0 3 324.877 3.224 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001076472911 687527804 /nfs/dbraw/zinc/52/78/04/687527804.db2.gz ZNDQYEHPDDITNI-NZSAHSFTSA-N 0 3 312.457 3.207 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC001076533146 687535471 /nfs/dbraw/zinc/53/54/71/687535471.db2.gz MMNCKSNVGIPMBI-VQTJNVASSA-N 0 3 324.468 3.288 20 30 DGEDHN C=C[C@@H](C(=O)N1CC[C@H]2CN(CC(=C)C)C[C@H]21)c1ccccc1 ZINC001076598227 687542030 /nfs/dbraw/zinc/54/20/30/687542030.db2.gz SBIVEGNGZWKPTP-IPMKNSEASA-N 0 3 310.441 3.065 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2C)C12CCC2 ZINC001078535023 687678037 /nfs/dbraw/zinc/67/80/37/687678037.db2.gz YJLNOCWEFUEPIH-QWHCGFSZSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)Cc2cccs2)C12CCC2 ZINC001078538350 687678774 /nfs/dbraw/zinc/67/87/74/687678774.db2.gz CXJMFRBJCYOFJL-ZIAGYGMSSA-N 0 3 324.877 3.060 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccccc2F)C12CCC2 ZINC001078538688 687678870 /nfs/dbraw/zinc/67/88/70/687678870.db2.gz GWSPDEGRISDTRE-CABCVRRESA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccsc2)C12CCC2 ZINC001078540955 687679741 /nfs/dbraw/zinc/67/97/41/687679741.db2.gz IWLLLIWOQUTNHF-STQMWFEESA-N 0 3 310.850 3.131 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2oc(C)cc2C)C12CCC2 ZINC001078585333 687685278 /nfs/dbraw/zinc/68/52/78/687685278.db2.gz DPJGQDHXESHFBO-ZIAGYGMSSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cc(C)cs2)C12CCC2 ZINC001078619107 687690720 /nfs/dbraw/zinc/69/07/20/687690720.db2.gz CJWCLOKBBTWMQZ-KGLIPLIRSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccsc2C)C12CCC2 ZINC001078619269 687690955 /nfs/dbraw/zinc/69/09/55/687690955.db2.gz GJSQWUIXRBLASY-ZIAGYGMSSA-N 0 3 324.877 3.440 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(C3CC3)CCC2)C12CCC2 ZINC001078689944 687704826 /nfs/dbraw/zinc/70/48/26/687704826.db2.gz FPLXRPJBTCUTIT-CABCVRRESA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)C12CCC2 ZINC001078703127 687707944 /nfs/dbraw/zinc/70/79/44/687707944.db2.gz KZEMDIRLMJNSKQ-GJZGRUSLSA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2occc2CC)C12CCC2 ZINC001078720677 687713293 /nfs/dbraw/zinc/71/32/93/687713293.db2.gz OWFHMZUFOQJNRC-ZIAGYGMSSA-N 0 3 322.836 3.225 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001079946272 687905578 /nfs/dbraw/zinc/90/55/78/687905578.db2.gz JXAAZPGZHMBCEK-RHSMWYFYSA-N 0 3 320.864 3.204 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3cc2F)C1 ZINC001080108168 687920731 /nfs/dbraw/zinc/92/07/31/687920731.db2.gz LEARGHXRIFVXND-AUUYWEPGSA-N 0 3 324.399 3.052 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001080202691 687929782 /nfs/dbraw/zinc/92/97/82/687929782.db2.gz LMGXYNYMFUYTPI-GDBMZVCRSA-N 0 3 306.494 3.461 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001080428230 687975619 /nfs/dbraw/zinc/97/56/19/687975619.db2.gz STYIYFPGCZSSSY-CRAIPNDOSA-N 0 3 312.457 3.364 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001080509034 687988752 /nfs/dbraw/zinc/98/87/52/687988752.db2.gz ZJAVRFZNIGRNQM-MLGOLLRUSA-N 0 3 324.827 3.034 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C(CC)CC)no2)C1 ZINC001080576393 687996229 /nfs/dbraw/zinc/99/62/29/687996229.db2.gz KKVHESWJJFSMSX-CZUORRHYSA-N 0 3 319.449 3.204 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001080672201 688008917 /nfs/dbraw/zinc/00/89/17/688008917.db2.gz MKKXRWYPQNHFCW-BRSBDYLESA-N 0 3 306.494 3.461 20 30 DGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2sccc2C(F)F)C1 ZINC001080864333 688020209 /nfs/dbraw/zinc/02/02/09/688020209.db2.gz AUXBFFZJPIGNBK-ZYHUDNBSSA-N 0 3 314.401 3.312 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001080974487 688030581 /nfs/dbraw/zinc/03/05/81/688030581.db2.gz YSNYZWWMKGHPFV-JKIFEVAISA-N 0 3 320.864 3.456 20 30 DGEDHN C[C@H]1Cc2cc(Cl)ccc2N1C(=O)[C@@H](N)CCCCC#N ZINC001576863011 1191872576 /nfs/dbraw/zinc/87/25/76/1191872576.db2.gz RPRUGZMVAMRNCF-FZMZJTMJSA-N 0 3 305.809 3.029 20 30 DGEDHN Cc1ccc(CN[C@H](Cc2cn[nH]n2)c2ccccc2)cc1C#N ZINC001577395795 1191898094 /nfs/dbraw/zinc/89/80/94/1191898094.db2.gz VMVDIWSQERMLLD-LJQANCHMSA-N 0 3 317.396 3.058 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001577426844 1191900560 /nfs/dbraw/zinc/90/05/60/1191900560.db2.gz YQKXDNNBHMEMJV-FJIDUMEYSA-N 0 3 324.509 3.216 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccc2c1COC2=O ZINC001577430035 1191901373 /nfs/dbraw/zinc/90/13/73/1191901373.db2.gz JYJJPBGVGXBWKU-HNNXBMFYSA-N 0 3 318.417 3.373 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccc2c1COC2=O ZINC001577430036 1191901492 /nfs/dbraw/zinc/90/14/92/1191901492.db2.gz JYJJPBGVGXBWKU-OAHLLOKOSA-N 0 3 318.417 3.373 20 30 DGEDHN Cc1ccc(-c2ncccc2NC(=O)[C@H](N)CCCC#N)s1 ZINC001579650164 1191984871 /nfs/dbraw/zinc/98/48/71/1191984871.db2.gz BUFPJZGZDSNATP-GFCCVEGCSA-N 0 3 314.414 3.078 20 30 DGEDHN Cc1ccc([C@H]2CCN(C(=O)[C@@H](N)CCCCC#N)C2)c(C)c1 ZINC001579679003 1191986818 /nfs/dbraw/zinc/98/68/18/1191986818.db2.gz QUBOZOZDOYJWMB-WMZOPIPTSA-N 0 3 313.445 3.031 20 30 DGEDHN Cc1ccc([C@@H]2CCN(C(=O)[C@@H](N)CCCCC#N)C2)c(C)c1 ZINC001579678999 1191986831 /nfs/dbraw/zinc/98/68/31/1191986831.db2.gz QUBOZOZDOYJWMB-AEFFLSMTSA-N 0 3 313.445 3.031 20 30 DGEDHN N#Cc1ccc(CSCC(=O)Nc2cccc3c2CNC3)cc1 ZINC001580065557 1192005856 /nfs/dbraw/zinc/00/58/56/1192005856.db2.gz MHTIDCZGANTRNT-UHFFFAOYSA-N 0 3 323.421 3.033 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001580050797 1192004458 /nfs/dbraw/zinc/00/44/58/1192004458.db2.gz LRAAOXRSRSLQIY-ROUUACIJSA-N 0 3 321.424 3.355 20 30 DGEDHN N#CCn1c(C(=O)Nc2ccc3c(c2)CNC3)cc2ccccc21 ZINC001580056153 1192005372 /nfs/dbraw/zinc/00/53/72/1192005372.db2.gz MKMRPWICHJJELS-UHFFFAOYSA-N 0 3 316.364 3.020 20 30 DGEDHN C=CCC[C@@H]1CCCN1CC(=O)NCc1ccc(CC)s1 ZINC001620641321 1192055457 /nfs/dbraw/zinc/05/54/57/1192055457.db2.gz LGSYDLDMPUYHGB-CQSZACIVSA-N 0 3 306.475 3.357 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(C)C ZINC001584868433 1192227448 /nfs/dbraw/zinc/22/74/48/1192227448.db2.gz JKNDPAUGCUCVOK-ZWKOTPCHSA-N 0 3 300.446 3.163 20 30 DGEDHN CN(C)Cc1ccccc1CNC(=O)[C@@H](CC#N)c1ccccc1 ZINC001585138154 1192243777 /nfs/dbraw/zinc/24/37/77/1192243777.db2.gz WJZWYOWDKPJYNJ-IBGZPJMESA-N 0 3 321.424 3.062 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001663331936 1196836930 /nfs/dbraw/zinc/83/69/30/1196836930.db2.gz QVNKRSDXFWPXRB-AEFFLSMTSA-N 0 3 302.462 3.440 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC001588577686 1192449777 /nfs/dbraw/zinc/44/97/77/1192449777.db2.gz LKWYZXLDIJFTTO-ZDUSSCGKSA-N 0 3 317.462 3.044 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC001588577686 1192449779 /nfs/dbraw/zinc/44/97/79/1192449779.db2.gz LKWYZXLDIJFTTO-ZDUSSCGKSA-N 0 3 317.462 3.044 20 30 DGEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588559794 1192450288 /nfs/dbraw/zinc/45/02/88/1192450288.db2.gz LKGBFQYYJKFLAE-WCQYABFASA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588559794 1192450289 /nfs/dbraw/zinc/45/02/89/1192450289.db2.gz LKGBFQYYJKFLAE-WCQYABFASA-N 0 3 317.824 3.355 20 30 DGEDHN C=CC[C@H]1[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)CCCC1(C)C ZINC001588564419 1192450320 /nfs/dbraw/zinc/45/03/20/1192450320.db2.gz NEKDYRZVBYIFOK-CQSZACIVSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CC[C@H]1[N@H+](Cc2cc(-c3nnn[n-]3)cs2)CCCC1(C)C ZINC001588564419 1192450323 /nfs/dbraw/zinc/45/03/23/1192450323.db2.gz NEKDYRZVBYIFOK-CQSZACIVSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CC[C@H]1[N@@H+](Cc2cc(-c3nn[n-]n3)cs2)CCCC1(C)C ZINC001588564419 1192450325 /nfs/dbraw/zinc/45/03/25/1192450325.db2.gz NEKDYRZVBYIFOK-CQSZACIVSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CC[C@H]1[N@H+](Cc2cc(-c3nn[n-]n3)cs2)CCCC1(C)C ZINC001588564419 1192450334 /nfs/dbraw/zinc/45/03/34/1192450334.db2.gz NEKDYRZVBYIFOK-CQSZACIVSA-N 0 3 317.462 3.495 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588539422 1192450527 /nfs/dbraw/zinc/45/05/27/1192450527.db2.gz KMJMDELAEVOCAI-MRXNPFEDSA-N 0 3 311.433 3.436 20 30 DGEDHN C=CCC(C)(C)C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588539422 1192450530 /nfs/dbraw/zinc/45/05/30/1192450530.db2.gz KMJMDELAEVOCAI-MRXNPFEDSA-N 0 3 311.433 3.436 20 30 DGEDHN C=CCCC(C)(C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588577755 1192450534 /nfs/dbraw/zinc/45/05/34/1192450534.db2.gz MOVGUSKVOKPILU-UHFFFAOYSA-N 0 3 303.385 3.088 20 30 DGEDHN C=CCCC(C)(C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588577755 1192450537 /nfs/dbraw/zinc/45/05/37/1192450537.db2.gz MOVGUSKVOKPILU-UHFFFAOYSA-N 0 3 303.385 3.088 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H](CC)C(C)C)C1 ZINC001664685331 1197035796 /nfs/dbraw/zinc/03/57/96/1197035796.db2.gz AEHCGVYHVPRDCV-QZTJIDSGSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCCCn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001594573659 1192646512 /nfs/dbraw/zinc/64/65/12/1192646512.db2.gz WONDFNDRDWUURT-UHFFFAOYSA-N 0 3 317.481 3.007 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001665494608 1197144083 /nfs/dbraw/zinc/14/40/83/1197144083.db2.gz JXAUQTZFIXRAIG-ZDUSSCGKSA-N 0 3 307.463 3.037 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001699639780 1176059516 /nfs/dbraw/zinc/05/95/16/1176059516.db2.gz VQRPMSNSJAGUIE-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)[C@H]1CCc2ccc(F)cc21 ZINC001691035730 1176174890 /nfs/dbraw/zinc/17/48/90/1176174890.db2.gz LOVGAECLPOSUIY-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cccc(-n2cccc2)c1)C1CC1 ZINC001266600151 1176181144 /nfs/dbraw/zinc/18/11/44/1176181144.db2.gz KRDKERANWUXKLR-UHFFFAOYSA-N 0 3 323.440 3.248 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(C(C)C)nc1CC ZINC001691040811 1176200048 /nfs/dbraw/zinc/20/00/48/1176200048.db2.gz SUIJKUPKTZPRHL-UHFFFAOYSA-N 0 3 303.450 3.005 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001670728651 1176246002 /nfs/dbraw/zinc/24/60/02/1176246002.db2.gz ATGFVRGTJSBHMD-PKOBYXMFSA-N 0 3 314.473 3.330 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001691061320 1176285187 /nfs/dbraw/zinc/28/51/87/1176285187.db2.gz FRXMNNAKPBPPQA-MLHJIOFPSA-N 0 3 322.493 3.057 20 30 DGEDHN C#Cc1ccccc1CC(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001691068970 1176292832 /nfs/dbraw/zinc/29/28/32/1176292832.db2.gz SZNIKPAKHCENPA-PXDRNWIDSA-N 0 3 324.468 3.099 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001691072618 1176295381 /nfs/dbraw/zinc/29/53/81/1176295381.db2.gz ZYQQYCFEMNYTEK-PKOBYXMFSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001691097331 1176310289 /nfs/dbraw/zinc/31/02/89/1176310289.db2.gz JUJHOBHLIRUBEV-CZUORRHYSA-N 0 3 306.837 3.210 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001691109745 1176319913 /nfs/dbraw/zinc/31/99/13/1176319913.db2.gz WJESHYZILIXNFT-YOEHRIQHSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCCc1ccc(C)cc1 ZINC001691113767 1176323730 /nfs/dbraw/zinc/32/37/30/1176323730.db2.gz WZLRVIKPTYUZCJ-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](CCC)C(C)C)C2)CC1 ZINC001691277368 1176420644 /nfs/dbraw/zinc/42/06/44/1176420644.db2.gz XKCLYFSTZKTZHO-MSOLQXFVSA-N 0 3 318.505 3.395 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC001691416078 1176475835 /nfs/dbraw/zinc/47/58/35/1176475835.db2.gz CTVZZKXOBGKBLD-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cccc(F)c1 ZINC001725137538 1176527416 /nfs/dbraw/zinc/52/74/16/1176527416.db2.gz OMTHANISJNQIQW-UHFFFAOYSA-N 0 3 312.816 3.266 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccccc1 ZINC001691438101 1176552852 /nfs/dbraw/zinc/55/28/52/1176552852.db2.gz CGKWQTVLXIABMP-RTBURBONSA-N 0 3 312.457 3.174 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(Cl)sc1Cl ZINC001751988893 1176607853 /nfs/dbraw/zinc/60/78/53/1176607853.db2.gz DWUIBLSIUKSORZ-UHFFFAOYSA-N 0 3 319.257 3.130 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001691466379 1176628458 /nfs/dbraw/zinc/62/84/58/1176628458.db2.gz DQJMGCKZYQBWJK-OKILXGFUSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC001754839902 1176696980 /nfs/dbraw/zinc/69/69/80/1176696980.db2.gz IOOOXLACWWQJOL-IYBDPMFKSA-N 0 3 318.848 3.196 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@H](C)c1ccccc1C)C1CC1 ZINC001752279032 1176716467 /nfs/dbraw/zinc/71/64/67/1176716467.db2.gz NYWQBWTXCHXUHP-KRWDZBQOSA-N 0 3 312.457 3.093 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C(F)(F)F)CCCC2)[C@H]1C ZINC001691774096 1176791055 /nfs/dbraw/zinc/79/10/55/1176791055.db2.gz SYKOCMZCHROXFB-OLZOCXBDSA-N 0 3 318.383 3.264 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001672509751 1176807639 /nfs/dbraw/zinc/80/76/39/1176807639.db2.gz QGVGQFAOTILCAA-OKZBNKHCSA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001755318732 1176896684 /nfs/dbraw/zinc/89/66/84/1176896684.db2.gz MQXSKOOWCLJCMS-ZDUSSCGKSA-N 0 3 308.853 3.240 20 30 DGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001755368168 1177018896 /nfs/dbraw/zinc/01/88/96/1177018896.db2.gz OCPSGXNDDWHOHQ-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cc(C)ns1)C(C)(C)C ZINC001755820297 1177256098 /nfs/dbraw/zinc/25/60/98/1177256098.db2.gz IUAXUCOWXZREOM-AWEZNQCLSA-N 0 3 309.479 3.038 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)CCCCCC)C[C@@H]2C1 ZINC001691576882 1177316548 /nfs/dbraw/zinc/31/65/48/1177316548.db2.gz WXMXCENXAMRLAA-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@](C)(CC)CCC)C[C@@H]2C1 ZINC001691575880 1177317316 /nfs/dbraw/zinc/31/73/16/1177317316.db2.gz HWCXLAUNXJXHQA-AOIWGVFYSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C[C@H](C)SC)C1 ZINC001691617569 1177330115 /nfs/dbraw/zinc/33/01/15/1177330115.db2.gz NIPOLXVIPAHLCN-UONOGXRCSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H](C)NCc1ccsc1)c1ccccc1 ZINC001752921200 1177442892 /nfs/dbraw/zinc/44/28/92/1177442892.db2.gz NQIKEHLKOBIUJV-YOEHRIQHSA-N 0 3 314.454 3.312 20 30 DGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(C)C ZINC001670969093 1177557509 /nfs/dbraw/zinc/55/75/09/1177557509.db2.gz JARVFLYSSNVQJC-KSZLIROESA-N 0 3 304.478 3.147 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001691656793 1177596028 /nfs/dbraw/zinc/59/60/28/1177596028.db2.gz NLXIXYMHHKZGKS-SFHVURJKSA-N 0 3 300.446 3.118 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](F)c1ccccc1 ZINC001691661812 1177604719 /nfs/dbraw/zinc/60/47/19/1177604719.db2.gz YNRQJARWKQBLNY-SJORKVTESA-N 0 3 304.409 3.196 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001691665408 1177616848 /nfs/dbraw/zinc/61/68/48/1177616848.db2.gz DGRPGLHANXLDKZ-HOTGVXAUSA-N 0 3 318.436 3.428 20 30 DGEDHN CCCC1(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)CC1 ZINC001275479880 1177930112 /nfs/dbraw/zinc/93/01/12/1177930112.db2.gz CXSPVFDDVVGCRI-IAGOWNOFSA-N 0 3 312.457 3.101 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1ccc(C)c(C)c1 ZINC001330971683 1178102091 /nfs/dbraw/zinc/10/20/91/1178102091.db2.gz NFBXRNLMRXCOML-MRXNPFEDSA-N 0 3 322.880 3.473 20 30 DGEDHN CCC[C@@H](C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001331406445 1178205855 /nfs/dbraw/zinc/20/58/55/1178205855.db2.gz NKHOVVRTEWFCFV-HZPDHXFCSA-N 0 3 318.436 3.050 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001331428391 1178211899 /nfs/dbraw/zinc/21/18/99/1178211899.db2.gz WPDZDJXEDBWDHK-KGLIPLIRSA-N 0 3 322.399 3.266 20 30 DGEDHN C[C@@H](CN(C)C(=O)CCCC1CC1)NCc1ccc(C#N)s1 ZINC001331528638 1178234055 /nfs/dbraw/zinc/23/40/55/1178234055.db2.gz FKLKZINKLGDQLB-ZDUSSCGKSA-N 0 3 319.474 3.137 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2scnc2C)CC1 ZINC001331549792 1178243351 /nfs/dbraw/zinc/24/33/51/1178243351.db2.gz ZKVJUJZNVZWULC-CYBMUJFWSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@H]1C ZINC001331857811 1178292744 /nfs/dbraw/zinc/29/27/44/1178292744.db2.gz BUECOLBNFZRVQF-PBHICJAKSA-N 0 3 312.413 3.478 20 30 DGEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CC(C)(C)C ZINC001331855162 1178292791 /nfs/dbraw/zinc/29/27/91/1178292791.db2.gz ZPVUXUOBEBSFSR-SJLPKXTDSA-N 0 3 312.457 3.053 20 30 DGEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)/C=C\C(C)(C)C ZINC001331871564 1178295615 /nfs/dbraw/zinc/29/56/15/1178295615.db2.gz ZSXRGOYYRRGXEP-ZCDHQZBXSA-N 0 3 324.468 3.219 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001331896190 1178299860 /nfs/dbraw/zinc/29/98/60/1178299860.db2.gz KWFWBUOQJPDOEO-SUMWQHHRSA-N 0 3 322.399 3.400 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ncccc1C(F)(F)F)C2 ZINC001331907008 1178303321 /nfs/dbraw/zinc/30/33/21/1178303321.db2.gz VEENAAVQZYOZBY-CQSZACIVSA-N 0 3 317.314 3.229 20 30 DGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CC1CCCC1 ZINC001331954248 1178317913 /nfs/dbraw/zinc/31/79/13/1178317913.db2.gz OYKUPDGQNHQNFW-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)C(C)(F)F)[C@@H]1C ZINC001332162886 1178375932 /nfs/dbraw/zinc/37/59/32/1178375932.db2.gz YMPAQLBFECNSCG-KBPBESRZSA-N 0 3 302.409 3.357 20 30 DGEDHN CC1(CC(=O)N2C[C@H](NCC#Cc3ccccc3)C(C)(C)C2)CC1 ZINC001332405653 1178438461 /nfs/dbraw/zinc/43/84/61/1178438461.db2.gz VMOCWHSOQHVAMG-SFHVURJKSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Cc1ccccc1F)C(C)C ZINC001332732476 1178484688 /nfs/dbraw/zinc/48/46/88/1178484688.db2.gz PGSVEZHUQUCLAI-INIZCTEOSA-N 0 3 320.452 3.359 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001332838164 1178505532 /nfs/dbraw/zinc/50/55/32/1178505532.db2.gz PETVJOZCPZNPPX-CQSZACIVSA-N 0 3 323.506 3.366 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001332844645 1178507065 /nfs/dbraw/zinc/50/70/65/1178507065.db2.gz TVDZBOBVIFTPNM-WBVHZDCISA-N 0 3 317.477 3.304 20 30 DGEDHN C[C@H](O)[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC001333856310 1178685045 /nfs/dbraw/zinc/68/50/45/1178685045.db2.gz KNVIZQBPKPRWBB-UGKFFRBESA-N 0 3 306.409 3.322 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001341464800 1179012093 /nfs/dbraw/zinc/01/20/93/1179012093.db2.gz GFBGFNUEAUBQPG-HZPDHXFCSA-N 0 3 320.864 3.499 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2ccccc2F)CC1 ZINC001341470994 1179013586 /nfs/dbraw/zinc/01/35/86/1179013586.db2.gz WOXMWRFGBQTIRG-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC001341605381 1179036648 /nfs/dbraw/zinc/03/66/48/1179036648.db2.gz NOCXQGBWLARRHJ-OAHLLOKOSA-N 0 3 319.424 3.438 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC001341871968 1179074686 /nfs/dbraw/zinc/07/46/86/1179074686.db2.gz RRZHEOACPKUUSY-HOCLYGCPSA-N 0 3 306.454 3.151 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1Cc2cccc(C#N)c2C1 ZINC001342067645 1179098942 /nfs/dbraw/zinc/09/89/42/1179098942.db2.gz CQMSQOYSWSLKKR-GOSISDBHSA-N 0 3 313.445 3.478 20 30 DGEDHN CC1(C)CCN(C(=O)[C@@H](N)CCCC#N)C[C@@H]1c1ccccc1 ZINC001342112978 1179104988 /nfs/dbraw/zinc/10/49/88/1179104988.db2.gz XAJOQHQQXUCWKZ-SJORKVTESA-N 0 3 313.445 3.050 20 30 DGEDHN CC1(C)CCN(C(=O)[C@H](N)CCCC#N)C[C@H]1c1ccccc1 ZINC001342112975 1179105002 /nfs/dbraw/zinc/10/50/02/1179105002.db2.gz XAJOQHQQXUCWKZ-DLBZAZTESA-N 0 3 313.445 3.050 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CC2(C[C@H]1C)CCOCC2 ZINC001342126997 1179107614 /nfs/dbraw/zinc/10/76/14/1179107614.db2.gz GXLULQABWQPEML-SJORKVTESA-N 0 3 324.509 3.482 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCc1c[nH]c2ccccc12 ZINC001342170458 1179112543 /nfs/dbraw/zinc/11/25/43/1179112543.db2.gz BCUVJWDLMBUWCM-HNNXBMFYSA-N 0 3 306.369 3.101 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCCC)c(OC)c1 ZINC001342350294 1179132599 /nfs/dbraw/zinc/13/25/99/1179132599.db2.gz RAOHFGSAOKUQBK-AWEZNQCLSA-N 0 3 306.406 3.106 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(CC)[C@H](C)CC ZINC001342354571 1179133481 /nfs/dbraw/zinc/13/34/81/1179133481.db2.gz HIMGAAIQTROMSO-CVEARBPZSA-N 0 3 319.497 3.288 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cnc2c(ccc(F)c2F)c1 ZINC001342436224 1179140997 /nfs/dbraw/zinc/14/09/97/1179140997.db2.gz KYXBVOGPKWOZBX-ZDUSSCGKSA-N 0 3 305.328 3.135 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1 ZINC001342697472 1179175082 /nfs/dbraw/zinc/17/50/82/1179175082.db2.gz LOAYRTQDHIRUSN-QZTJIDSGSA-N 0 3 316.445 3.336 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)COC1CCC(C)CC1 ZINC001479273761 1179198212 /nfs/dbraw/zinc/19/82/12/1179198212.db2.gz HQVSKROXQKOCMZ-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1cccc(F)n1 ZINC001343367635 1179262949 /nfs/dbraw/zinc/26/29/49/1179262949.db2.gz JDKUTPMGUXITSW-SNVBAGLBSA-N 0 3 309.222 3.125 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](CCOC)c2ccccc21 ZINC001343681837 1179316171 /nfs/dbraw/zinc/31/61/71/1179316171.db2.gz SKSLPMYHVQWTGA-DOTOQJQBSA-N 0 3 316.445 3.227 20 30 DGEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1nc(N)c2ccccc2n1 ZINC001344544762 1179449302 /nfs/dbraw/zinc/44/93/02/1179449302.db2.gz WHUGQJNOYJCOHB-ZDUSSCGKSA-N 0 3 322.755 3.355 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344868775 1179488110 /nfs/dbraw/zinc/48/81/10/1179488110.db2.gz GKRDKFOAYGJLNL-XMTFNYHQSA-N 0 3 324.424 3.180 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001344868420 1179488183 /nfs/dbraw/zinc/48/81/83/1179488183.db2.gz ATHBXJCBGBNEII-FJIDUMEYSA-N 0 3 324.424 3.180 20 30 DGEDHN CCc1cc(C(=O)C(C#N)c2ncc(Cl)n2C)cc(Cl)n1 ZINC001344864575 1179488856 /nfs/dbraw/zinc/48/88/56/1179488856.db2.gz TVERLBUIVZLZRU-SNVBAGLBSA-N 0 3 323.183 3.174 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001345641915 1179585508 /nfs/dbraw/zinc/58/55/08/1179585508.db2.gz FLGUBOIOERGFFK-CYBMUJFWSA-N 0 3 301.777 3.284 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001345641916 1179585695 /nfs/dbraw/zinc/58/56/95/1179585695.db2.gz FLGUBOIOERGFFK-ZDUSSCGKSA-N 0 3 301.777 3.284 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCc1ccc(Cl)c(F)c1 ZINC001346537442 1179717577 /nfs/dbraw/zinc/71/75/77/1179717577.db2.gz LOGAQGADWLLGQP-NSHDSACASA-N 0 3 305.740 3.022 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCSCc1ccccc1 ZINC001347337371 1179797338 /nfs/dbraw/zinc/79/73/38/1179797338.db2.gz HOKFGBLHSOZKKT-HNNXBMFYSA-N 0 3 313.426 3.403 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1sc(CC2CC2)nc1C ZINC001347338774 1179797641 /nfs/dbraw/zinc/79/76/41/1179797641.db2.gz VJZPZEBGWYVOQB-GFCCVEGCSA-N 0 3 314.414 3.111 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1cccc(C)c1C ZINC001349701708 1179936030 /nfs/dbraw/zinc/93/60/30/1179936030.db2.gz JEDXZXQIDGQKCQ-HNNXBMFYSA-N 0 3 311.385 3.165 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC001349702696 1179936272 /nfs/dbraw/zinc/93/62/72/1179936272.db2.gz RUFHUBNBHBBDNL-GXTWGEPZSA-N 0 3 313.788 3.370 20 30 DGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001602824115 1192998550 /nfs/dbraw/zinc/99/85/50/1192998550.db2.gz NVCLUDGXRJSDBF-CZUORRHYSA-N 0 3 309.417 3.190 20 30 DGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001602824115 1192998553 /nfs/dbraw/zinc/99/85/53/1192998553.db2.gz NVCLUDGXRJSDBF-CZUORRHYSA-N 0 3 309.417 3.190 20 30 DGEDHN C#Cc1ccc(CN2CCCC[C@@H]2COC(=O)N(C)CC)cc1 ZINC001621318612 1193020092 /nfs/dbraw/zinc/02/00/92/1193020092.db2.gz KSMJLBXFQBXAHR-GOSISDBHSA-N 0 3 314.429 3.111 20 30 DGEDHN CCCCCCCCC(=O)N[C@@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001100084861 1180367126 /nfs/dbraw/zinc/36/71/26/1180367126.db2.gz BYNQAZZOJRPJGW-MSOLQXFVSA-N 0 3 324.509 3.255 20 30 DGEDHN Cn1cc(-c2ccc(CNCc3ccc(C#N)cc3)cc2)cn1 ZINC001352827667 1180406656 /nfs/dbraw/zinc/40/66/56/1180406656.db2.gz YPXZSGRDOQZLRK-UHFFFAOYSA-N 0 3 302.381 3.249 20 30 DGEDHN CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001604053800 1193046582 /nfs/dbraw/zinc/04/65/82/1193046582.db2.gz FLPRXKBERMFPAQ-HNNXBMFYSA-N 0 3 312.421 3.237 20 30 DGEDHN CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001604053800 1193046585 /nfs/dbraw/zinc/04/65/85/1193046585.db2.gz FLPRXKBERMFPAQ-HNNXBMFYSA-N 0 3 312.421 3.237 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC001354370231 1180779780 /nfs/dbraw/zinc/77/97/80/1180779780.db2.gz PECZEHPCIVODHP-SFHVURJKSA-N 0 3 313.445 3.226 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100567924 1180796652 /nfs/dbraw/zinc/79/66/52/1180796652.db2.gz IXSQROSLWWGMLD-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100595263 1180834100 /nfs/dbraw/zinc/83/41/00/1180834100.db2.gz QZOVFGNJKYAMMG-LRVUVFPRSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100644669 1180886252 /nfs/dbraw/zinc/88/62/52/1180886252.db2.gz BLBDEXRJZQWJJQ-MQBCKMQZSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)CC1(C)C ZINC001355134673 1180994328 /nfs/dbraw/zinc/99/43/28/1180994328.db2.gz OZSRFBBSLSPSOC-CABCVRRESA-N 0 3 306.837 3.251 20 30 DGEDHN C=CCCCN(CC)c1nnc([C@H]2CCCN(C)C2)n1CC=C ZINC001355888437 1181109890 /nfs/dbraw/zinc/10/98/90/1181109890.db2.gz NQBOSDWKAWBALN-INIZCTEOSA-N 0 3 317.481 3.066 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC001356120176 1181144096 /nfs/dbraw/zinc/14/40/96/1181144096.db2.gz WFAYAFIDJRLLPW-UMVBOHGHSA-N 0 3 302.349 3.171 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC001356578269 1181218665 /nfs/dbraw/zinc/21/86/65/1181218665.db2.gz MLDCCNRKUMCKOL-OLZOCXBDSA-N 0 3 321.302 3.333 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccc1)c1cccnc1 ZINC001356585353 1181219505 /nfs/dbraw/zinc/21/95/05/1181219505.db2.gz LLQBJNTVNLGVTM-MSOLQXFVSA-N 0 3 309.413 3.061 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccc(C(=O)NC)c1 ZINC001357486397 1181401045 /nfs/dbraw/zinc/40/10/45/1181401045.db2.gz MTPIORZXYSBBCR-MRXNPFEDSA-N 0 3 319.449 3.063 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001357667864 1181416667 /nfs/dbraw/zinc/41/66/67/1181416667.db2.gz IRVDPRKAZKWZHO-QZTJIDSGSA-N 0 3 317.477 3.475 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)c1c2ccccc2oc1CC ZINC001492885502 1181731248 /nfs/dbraw/zinc/73/12/48/1181731248.db2.gz VUIYHLFJJKXXNG-UHFFFAOYSA-N 0 3 300.402 3.233 20 30 DGEDHN C#C[C@H](NCc1ccc(C(=O)OC)cc1C(F)(F)F)C(C)C ZINC001652413307 1195594722 /nfs/dbraw/zinc/59/47/22/1195594722.db2.gz NZWKHAXOZLYDGW-AWEZNQCLSA-N 0 3 313.319 3.239 20 30 DGEDHN C=CCOc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001449224928 1182223323 /nfs/dbraw/zinc/22/33/23/1182223323.db2.gz MUUQTJMLWRBTPR-UHFFFAOYSA-N 0 3 316.445 3.132 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001450792336 1182258016 /nfs/dbraw/zinc/25/80/16/1182258016.db2.gz MIKOMXINZFGBCU-WBVHZDCISA-N 0 3 300.446 3.368 20 30 DGEDHN C[C@H](C(=O)N([O-])CCCCc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001457992488 1182489043 /nfs/dbraw/zinc/48/90/43/1182489043.db2.gz IFONTQQMIVRSQC-IXDOHACOSA-N 0 3 318.461 3.488 20 30 DGEDHN C[C@H](C(=O)N([O-])CCCCc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001457992488 1182489048 /nfs/dbraw/zinc/48/90/48/1182489048.db2.gz IFONTQQMIVRSQC-IXDOHACOSA-N 0 3 318.461 3.488 20 30 DGEDHN C[C@H](C(=O)N([O-])CCCCc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001457992484 1182489266 /nfs/dbraw/zinc/48/92/66/1182489266.db2.gz IFONTQQMIVRSQC-BRWVUGGUSA-N 0 3 318.461 3.488 20 30 DGEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCCC[C@H]1C(=O)OC ZINC001459406633 1182585461 /nfs/dbraw/zinc/58/54/61/1182585461.db2.gz OUVJYIXNQBCEGV-SJLPKXTDSA-N 0 3 317.404 3.240 20 30 DGEDHN N#C[C@@H](c1ccccc1)N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001459701313 1182607316 /nfs/dbraw/zinc/60/73/16/1182607316.db2.gz PSKMAKHBXCTLQX-AABGKKOBSA-N 0 3 309.457 3.305 20 30 DGEDHN C=C(C)[C@H](NCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001459980361 1182637461 /nfs/dbraw/zinc/63/74/61/1182637461.db2.gz NVHXUHSXLAOZGE-DEYYWGMASA-N 0 3 324.415 3.281 20 30 DGEDHN CO[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1(C)C ZINC001460123535 1182654299 /nfs/dbraw/zinc/65/42/99/1182654299.db2.gz PUZNJGWNASUTBZ-LSDHHAIUSA-N 0 3 311.347 3.460 20 30 DGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC001460758472 1182717829 /nfs/dbraw/zinc/71/78/29/1182717829.db2.gz LUJHYGBOYCJRKT-GVDBMIGSSA-N 0 3 310.441 3.088 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(C#N)cc3F)C2)cc1 ZINC001461701222 1182844608 /nfs/dbraw/zinc/84/46/08/1182844608.db2.gz CNBXSPHLJALFBL-LJQANCHMSA-N 0 3 323.415 3.370 20 30 DGEDHN C#Cc1ccc(CN(CC)C[C@@H]2COc3ccccc3O2)cc1 ZINC001461877270 1182869519 /nfs/dbraw/zinc/86/95/19/1182869519.db2.gz ZLSBARMXPOVXCS-GOSISDBHSA-N 0 3 307.393 3.330 20 30 DGEDHN CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC001462406265 1182948052 /nfs/dbraw/zinc/94/80/52/1182948052.db2.gz RTRPWHIATDMOON-RKVPGOIHSA-N 0 3 318.461 3.347 20 30 DGEDHN N#Cc1ccc(CCNCc2ccc(Br)o2)cc1 ZINC001462418786 1182950440 /nfs/dbraw/zinc/95/04/40/1182950440.db2.gz BVPRHEBQJFMYLK-UHFFFAOYSA-N 0 3 305.175 3.246 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)C/C=C/c1ccc(C)cc1 ZINC001467727925 1183284560 /nfs/dbraw/zinc/28/45/60/1183284560.db2.gz WUJBTKKIOJWJFM-BQYQJAHWSA-N 0 3 300.446 3.365 20 30 DGEDHN C=CC(C)(C)CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001469317859 1183400465 /nfs/dbraw/zinc/40/04/65/1183400465.db2.gz NIXCTCWXATYXFI-RDJZCZTQSA-N 0 3 315.461 3.161 20 30 DGEDHN C=CCC1(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)CCCC1 ZINC001470148606 1183465022 /nfs/dbraw/zinc/46/50/22/1183465022.db2.gz ZOYBEAGCTJLLGE-INIZCTEOSA-N 0 3 319.493 3.249 20 30 DGEDHN C#CCN(C)CCCNC(=O)NC(C)(C)CC1CCCCCC1 ZINC001470352741 1183479532 /nfs/dbraw/zinc/47/95/32/1183479532.db2.gz KQZFTUMTJRIYCU-UHFFFAOYSA-N 0 3 321.509 3.380 20 30 DGEDHN CCCCCCCC(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC001471048690 1183533714 /nfs/dbraw/zinc/53/37/14/1183533714.db2.gz SJJCBKBHOJUSHH-UHFFFAOYSA-N 0 3 318.465 3.132 20 30 DGEDHN Cc1cc(F)c(C#N)c(N2CCN(C3CCCCC3)CC2)c1 ZINC001472738081 1183675139 /nfs/dbraw/zinc/67/51/39/1183675139.db2.gz ZTGDHPYGMZLVEN-UHFFFAOYSA-N 0 3 301.409 3.461 20 30 DGEDHN Cc1ccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)cc1C#N ZINC001473454809 1183759512 /nfs/dbraw/zinc/75/95/12/1183759512.db2.gz UKKIFCUKJORDKD-OAQYLSRUSA-N 0 3 319.452 3.225 20 30 DGEDHN CN(CCOCc1ccc(C#N)cc1)CCOC1CCCCC1 ZINC001473517754 1183768781 /nfs/dbraw/zinc/76/87/81/1183768781.db2.gz WIWZRUKNPLDTGC-UHFFFAOYSA-N 0 3 316.445 3.356 20 30 DGEDHN C=CCOCCN1CCc2c(ccc(OC)c2OC)[C@@H]1CC ZINC001473611187 1183780770 /nfs/dbraw/zinc/78/07/70/1183780770.db2.gz NYBMDEYHXYZYDR-INIZCTEOSA-N 0 3 305.418 3.216 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@]1(C)c1ccccc1 ZINC001473754565 1183798062 /nfs/dbraw/zinc/79/80/62/1183798062.db2.gz JXJLEIBVULASPD-VQIMIIECSA-N 0 3 313.445 3.006 20 30 DGEDHN C#CCN(CCOC[C@@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC001473825723 1183807141 /nfs/dbraw/zinc/80/71/41/1183807141.db2.gz DEDVSTOWEBXJTI-ICSRJNTNSA-N 0 3 313.441 3.195 20 30 DGEDHN CC#CCN1CCC[C@H]1COc1ccc(Br)cc1 ZINC001473844249 1183811401 /nfs/dbraw/zinc/81/14/01/1183811401.db2.gz YBIFZEGAHWQDHA-AWEZNQCLSA-N 0 3 308.219 3.316 20 30 DGEDHN C#CCOc1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1 ZINC001474151963 1183874427 /nfs/dbraw/zinc/87/44/27/1183874427.db2.gz YPRGEXMMFNFNLV-UHFFFAOYSA-N 0 3 321.380 3.280 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001479230038 1184211321 /nfs/dbraw/zinc/21/13/21/1184211321.db2.gz DOCTUWYDNJAQSP-MHORFTMASA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@H]1CCN1CCc1ccc(C)cc1 ZINC001479241136 1184214511 /nfs/dbraw/zinc/21/45/11/1184214511.db2.gz OGXPEJJMARTQOH-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001479390063 1184241843 /nfs/dbraw/zinc/24/18/43/1184241843.db2.gz IFGGWAUBMHBKRV-HAQNSBGRSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC001479415738 1184249084 /nfs/dbraw/zinc/24/90/84/1184249084.db2.gz SVGOYIGUILQQNY-KOMQPUFPSA-N 0 3 320.864 3.201 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNCC(=C)Cl ZINC001479515429 1184262843 /nfs/dbraw/zinc/26/28/43/1184262843.db2.gz HBWYASHXULUKSW-ZBFHGGJFSA-N 0 3 310.869 3.149 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@@H]1CC ZINC001479640922 1184282515 /nfs/dbraw/zinc/28/25/15/1184282515.db2.gz DWKHKQYNRXFURC-ZWKOTPCHSA-N 0 3 315.461 3.215 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(CCCC)cc3)C2)C1 ZINC001479758150 1184314494 /nfs/dbraw/zinc/31/44/94/1184314494.db2.gz NDYKWMDTCJPQDS-UHFFFAOYSA-N 0 3 312.457 3.363 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccns1 ZINC001479828718 1184340375 /nfs/dbraw/zinc/34/03/75/1184340375.db2.gz DGMKXLYNHXHLAN-GDBMZVCRSA-N 0 3 321.490 3.359 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CC)CCCCC)CC1 ZINC001479987112 1184403404 /nfs/dbraw/zinc/40/34/04/1184403404.db2.gz CHMFAXVQTWZKMN-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCCc2ccccc2)CC1 ZINC001479985708 1184403791 /nfs/dbraw/zinc/40/37/91/1184403791.db2.gz UXRQNMHCAIMJTP-IBGZPJMESA-N 0 3 324.468 3.003 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001479989284 1184404541 /nfs/dbraw/zinc/40/45/41/1184404541.db2.gz QSCXGVRUVPZJNV-CABCVRRESA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001479989286 1184404935 /nfs/dbraw/zinc/40/49/35/1184404935.db2.gz QSCXGVRUVPZJNV-GJZGRUSLSA-N 0 3 310.457 3.308 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001479993349 1184405622 /nfs/dbraw/zinc/40/56/22/1184405622.db2.gz OQGIRJCTDOEIDT-CGTJXYLNSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1scnc1C)C1CC1 ZINC001480045626 1184416497 /nfs/dbraw/zinc/41/64/97/1184416497.db2.gz ZAUGBZPCBUWOHW-WMLDXEAASA-N 0 3 321.490 3.038 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](NCC=C(Cl)Cl)C2CC2)C1 ZINC001480044515 1184416736 /nfs/dbraw/zinc/41/67/36/1184416736.db2.gz PAWPKPMJNPMBLI-GFCCVEGCSA-N 0 3 317.260 3.146 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001480115211 1184438253 /nfs/dbraw/zinc/43/82/53/1184438253.db2.gz ODRYCJQFMNUZND-PBHICJAKSA-N 0 3 304.409 3.119 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001480225510 1184463730 /nfs/dbraw/zinc/46/37/30/1184463730.db2.gz AVAAGNBFPVAZEW-GASCZTMLSA-N 0 3 322.399 3.304 20 30 DGEDHN Cc1cccc(CN2CCCC[C@@H]2CNC(=O)C#CC(C)C)c1 ZINC001480319464 1184490080 /nfs/dbraw/zinc/49/00/80/1184490080.db2.gz XBFGGXMGYDXTCN-LJQANCHMSA-N 0 3 312.457 3.125 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001480325573 1184491798 /nfs/dbraw/zinc/49/17/98/1184491798.db2.gz SSCJXPJIQOYIJZ-GOSISDBHSA-N 0 3 316.489 3.197 20 30 DGEDHN O=C(C=C1CCC1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001480343594 1184499278 /nfs/dbraw/zinc/49/92/78/1184499278.db2.gz FWGBVHLHZWHZJH-FQEVSTJZSA-N 0 3 322.452 3.119 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](C)NCc2ccsc2)CCCC1 ZINC001480603056 1184557649 /nfs/dbraw/zinc/55/76/49/1184557649.db2.gz AKKLHOKBOOQQRP-AWEZNQCLSA-N 0 3 306.475 3.479 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001480615484 1184559370 /nfs/dbraw/zinc/55/93/70/1184559370.db2.gz QPFODGORCIQBDW-INIZCTEOSA-N 0 3 304.409 3.181 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC001480740668 1184596748 /nfs/dbraw/zinc/59/67/48/1184596748.db2.gz BQNPFXAZCFKBAO-INIZCTEOSA-N 0 3 324.424 3.301 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2ccccc2)CCC1 ZINC001480777723 1184605171 /nfs/dbraw/zinc/60/51/71/1184605171.db2.gz DAHGGRCUUFUZNE-OAHLLOKOSA-N 0 3 320.864 3.345 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCCCC1(F)F ZINC001480782493 1184606325 /nfs/dbraw/zinc/60/63/25/1184606325.db2.gz SKLZHAVASOTQJI-NEPJUHHUSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001480812235 1184615436 /nfs/dbraw/zinc/61/54/36/1184615436.db2.gz MVZUDMOYKYNEMR-IGEOTXOUSA-N 0 3 312.885 3.440 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1coc2ccc(Cl)cc12 ZINC001493050446 1184640070 /nfs/dbraw/zinc/64/00/70/1184640070.db2.gz KPKBOLBRTTYQGB-UHFFFAOYSA-N 0 3 306.793 3.324 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1cc(Cl)cs1 ZINC001493141937 1184656098 /nfs/dbraw/zinc/65/60/98/1184656098.db2.gz KYCXJPBHQCZPGB-CYBMUJFWSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1cc(Cl)cs1 ZINC001493141938 1184657163 /nfs/dbraw/zinc/65/71/63/1184657163.db2.gz KYCXJPBHQCZPGB-ZDUSSCGKSA-N 0 3 312.866 3.101 20 30 DGEDHN C#CCN(CCC)CCNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001493326137 1184687735 /nfs/dbraw/zinc/68/77/35/1184687735.db2.gz XTVVVBABHXDMII-UHFFFAOYSA-N 0 3 320.864 3.368 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC001493389934 1184698984 /nfs/dbraw/zinc/69/89/84/1184698984.db2.gz BYIZAZIRSHMMGG-GOSISDBHSA-N 0 3 316.420 3.012 20 30 DGEDHN C=CCCCC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001493679411 1184725048 /nfs/dbraw/zinc/72/50/48/1184725048.db2.gz PRMSEERJABBXJZ-UHFFFAOYSA-N 0 3 300.402 3.337 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccc1 ZINC001493895040 1184760772 /nfs/dbraw/zinc/76/07/72/1184760772.db2.gz CIOBWRPNPAKRKK-MOPGFXCFSA-N 0 3 324.399 3.099 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1CC(C)C)c1ccccc1 ZINC001493900288 1184762551 /nfs/dbraw/zinc/76/25/51/1184762551.db2.gz WBKMYCVOMVYPAN-KURKYZTESA-N 0 3 300.446 3.302 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1sc(C)nc1C)c1ccccc1 ZINC001493902302 1184762570 /nfs/dbraw/zinc/76/25/70/1184762570.db2.gz AFAMVPBFBAKSJN-OAHLLOKOSA-N 0 3 315.442 3.007 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cnoc1C(C)C)c1ccccc1 ZINC001493901669 1184762612 /nfs/dbraw/zinc/76/26/12/1184762612.db2.gz WXQDEWFLNHOOQZ-INIZCTEOSA-N 0 3 313.401 3.045 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC2(C)CCCC2)C1 ZINC001493946193 1184771959 /nfs/dbraw/zinc/77/19/59/1184771959.db2.gz FPARGLOHELXGAO-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C=CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)C(F)F)C1 ZINC001494180778 1184826078 /nfs/dbraw/zinc/82/60/78/1184826078.db2.gz BDVLMEZJACEYIR-MRXNPFEDSA-N 0 3 322.399 3.321 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCOc2ccccc2)C1 ZINC001494297158 1184848761 /nfs/dbraw/zinc/84/87/61/1184848761.db2.gz SHMVXPGNUATKGX-QGZVFWFLSA-N 0 3 316.445 3.002 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2scnc2C)C1 ZINC001494744184 1184919950 /nfs/dbraw/zinc/91/99/50/1184919950.db2.gz YLJQHQCHWAVAOM-CQSZACIVSA-N 0 3 309.479 3.226 20 30 DGEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccc(OC)c(C)c2)C1 ZINC001494805639 1184931582 /nfs/dbraw/zinc/93/15/82/1184931582.db2.gz FRUDTBOFTCNRTK-KRWDZBQOSA-N 0 3 316.445 3.003 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001494878280 1184952883 /nfs/dbraw/zinc/95/28/83/1184952883.db2.gz YIOUMIWOJWOFNK-VQTJNVASSA-N 0 3 324.468 3.292 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2cccc3ccccc32)C1 ZINC001494920739 1184962495 /nfs/dbraw/zinc/96/24/95/1184962495.db2.gz ZXIRUKUMMVXDBJ-IBGZPJMESA-N 0 3 322.452 3.491 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001494916516 1184963114 /nfs/dbraw/zinc/96/31/14/1184963114.db2.gz HWWDKNBPLHGGAU-OALUTQOASA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2cc(F)ccc2F)C1 ZINC001494926906 1184963972 /nfs/dbraw/zinc/96/39/72/1184963972.db2.gz ZHKHMNWRARAPQB-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccc(C)s2)C1 ZINC001494925274 1184964204 /nfs/dbraw/zinc/96/42/04/1184964204.db2.gz LODNOFAUSWNCML-HNNXBMFYSA-N 0 3 306.475 3.098 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC(C2CC2)C2CC2)C1 ZINC001494925835 1184964494 /nfs/dbraw/zinc/96/44/94/1184964494.db2.gz UGEXWIWEOYCTPO-QGZVFWFLSA-N 0 3 304.478 3.312 20 30 DGEDHN CC[C@@H](CNC(=O)CCC(C)C)NCc1ccc(C#N)c(F)c1 ZINC001494936763 1184967330 /nfs/dbraw/zinc/96/73/30/1184967330.db2.gz DHQGXLSGKHIEIT-INIZCTEOSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1c(C)cccc1Cl ZINC001494980343 1184975131 /nfs/dbraw/zinc/97/51/31/1184975131.db2.gz ZAWICBWRRLKZQM-HNNXBMFYSA-N 0 3 320.864 3.292 20 30 DGEDHN C=CCCC(=O)NC1(CNCC=C(Cl)Cl)CCCC1 ZINC001495134831 1185001743 /nfs/dbraw/zinc/00/17/43/1185001743.db2.gz KPLWANZHQWCGKD-UHFFFAOYSA-N 0 3 305.249 3.290 20 30 DGEDHN C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609123800 1193325270 /nfs/dbraw/zinc/32/52/70/1193325270.db2.gz OYGQXJSGAWGMIL-CQSZACIVSA-N 0 3 324.432 3.381 20 30 DGEDHN C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609123800 1193325272 /nfs/dbraw/zinc/32/52/72/1193325272.db2.gz OYGQXJSGAWGMIL-CQSZACIVSA-N 0 3 324.432 3.381 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H]2CC)cc1 ZINC001495495795 1185064575 /nfs/dbraw/zinc/06/45/75/1185064575.db2.gz SOCPJIXLUABLLX-RTBURBONSA-N 0 3 312.457 3.242 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)cc2F)cc1 ZINC001495494954 1185065087 /nfs/dbraw/zinc/06/50/87/1185065087.db2.gz JUUJJLMNSSJUAW-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)Cc2cccc(C)c2)CCCC1 ZINC001495940186 1185115717 /nfs/dbraw/zinc/11/57/17/1185115717.db2.gz XWAKQTIWPSMKKB-UHFFFAOYSA-N 0 3 320.864 3.309 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001496072874 1185132134 /nfs/dbraw/zinc/13/21/34/1185132134.db2.gz XQIYEHXODOQLFZ-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN CCC(C)(C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001496143857 1185139970 /nfs/dbraw/zinc/13/99/70/1185139970.db2.gz REOGHXDZUQCHRO-HNNXBMFYSA-N 0 3 318.436 3.050 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C\c1ccco1 ZINC001496373028 1185176697 /nfs/dbraw/zinc/17/66/97/1185176697.db2.gz CEFWHXWDLVOGMJ-ZPIQOJFGSA-N 0 3 322.836 3.406 20 30 DGEDHN C=C(Br)CNCC[C@H]1CCCCN1C(=O)CCC ZINC001496378512 1185178296 /nfs/dbraw/zinc/17/82/96/1185178296.db2.gz ZKNJRMWMNQTQGF-CYBMUJFWSA-N 0 3 317.271 3.056 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001497230536 1185299860 /nfs/dbraw/zinc/29/98/60/1185299860.db2.gz YGUGESMSAZBOGB-YOEHRIQHSA-N 0 3 320.864 3.417 20 30 DGEDHN CC(C)C#CC(=O)NC/C=C/CN[C@@H](C)c1ccc(Cl)cc1 ZINC001497579108 1185356706 /nfs/dbraw/zinc/35/67/06/1185356706.db2.gz MGKUYRZCKWLTQK-RGDDUWESSA-N 0 3 318.848 3.322 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccc(F)c(Cl)c1 ZINC001497648875 1185368851 /nfs/dbraw/zinc/36/88/51/1185368851.db2.gz CUVSPBAWCJRENQ-AATRIKPKSA-N 0 3 324.827 3.453 20 30 DGEDHN CC[C@H](C)CC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001497812420 1185396307 /nfs/dbraw/zinc/39/63/07/1185396307.db2.gz HGIONZDHBXPWRC-LSDHHAIUSA-N 0 3 320.864 3.222 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1)CC ZINC001498025817 1185426393 /nfs/dbraw/zinc/42/63/93/1185426393.db2.gz CNUQPAITNIVJMO-ZDUSSCGKSA-N 0 3 317.408 3.038 20 30 DGEDHN CCCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001498100620 1185435684 /nfs/dbraw/zinc/43/56/84/1185435684.db2.gz GVJOCYPRAVTRAT-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN CC(C)CCCCC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001498143217 1185441076 /nfs/dbraw/zinc/44/10/76/1185441076.db2.gz XLIMJIRFXDGEBG-SFHVURJKSA-N 0 3 314.473 3.349 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1)CC ZINC001498254743 1185456950 /nfs/dbraw/zinc/45/69/50/1185456950.db2.gz LJROSHWIJDOWGD-HNNXBMFYSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001498798907 1185548749 /nfs/dbraw/zinc/54/87/49/1185548749.db2.gz HZPSDZTVTVFTRG-QGZVFWFLSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)Cc1ccccc1 ZINC001499095389 1185610210 /nfs/dbraw/zinc/61/02/10/1185610210.db2.gz LJIXWQBCCAYLHG-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)Cc1ccccc1 ZINC001499094935 1185610617 /nfs/dbraw/zinc/61/06/17/1185610617.db2.gz GPIHBVORHRLPBT-GOSISDBHSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1ccc(C)s1 ZINC001499138539 1185619179 /nfs/dbraw/zinc/61/91/79/1185619179.db2.gz QLICNGBTVVMBMD-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H](c2ccccc2)C(C)C)CC1 ZINC001499415884 1185648619 /nfs/dbraw/zinc/64/86/19/1185648619.db2.gz CKIAIWJPKUCONK-GOSISDBHSA-N 0 3 312.457 3.078 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CCCc2ccccc2)CC1 ZINC001499997713 1185728361 /nfs/dbraw/zinc/72/83/61/1185728361.db2.gz QENCFZRJEAFUQX-UHFFFAOYSA-N 0 3 312.457 3.003 20 30 DGEDHN C#CCN(C(=O)C1CC1)C1CCN(Cc2ccc(CC)cc2)CC1 ZINC001500020336 1185731729 /nfs/dbraw/zinc/73/17/29/1185731729.db2.gz YCEUCCHPDAGJFE-UHFFFAOYSA-N 0 3 324.468 3.085 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(C)CCN(C/C=C/Cl)CC2)C1 ZINC001500447544 1185793995 /nfs/dbraw/zinc/79/39/95/1185793995.db2.gz VCXYAYKTJQQRAO-QPJJXVBHSA-N 0 3 310.869 3.314 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001500501794 1185808509 /nfs/dbraw/zinc/80/85/09/1185808509.db2.gz GXTKCQXQKWCJDI-SFHVURJKSA-N 0 3 322.399 3.291 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001500515505 1185813203 /nfs/dbraw/zinc/81/32/03/1185813203.db2.gz RWLYNUQKRJMXBI-LPHOPBHVSA-N 0 3 304.478 3.054 20 30 DGEDHN C#CCCN[C@H](CNC(=O)CC(C)C)c1ccccc1CC ZINC001501018921 1185855942 /nfs/dbraw/zinc/85/59/42/1185855942.db2.gz IPJFCLKDALATQC-GOSISDBHSA-N 0 3 300.446 3.065 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C=C(CC)CC)C2)CC1 ZINC001501016213 1185856276 /nfs/dbraw/zinc/85/62/76/1185856276.db2.gz VHKWEPLCDZEAEZ-LJQANCHMSA-N 0 3 316.489 3.317 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC(C)(C)C)c1ccccc1CC ZINC001501019762 1185857416 /nfs/dbraw/zinc/85/74/16/1185857416.db2.gz UVJCLMUONDBGSU-SFHVURJKSA-N 0 3 314.473 3.455 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccsc1 ZINC001501191979 1185881736 /nfs/dbraw/zinc/88/17/36/1185881736.db2.gz NOUBQFKYHKFVMM-UHFFFAOYSA-N 0 3 312.438 3.003 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2c(C)cccc2F)C1 ZINC001501655389 1185917366 /nfs/dbraw/zinc/91/73/66/1185917366.db2.gz RRYUUJWAEQNGIA-CQSZACIVSA-N 0 3 324.827 3.328 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H](F)C1 ZINC001501665778 1185917835 /nfs/dbraw/zinc/91/78/35/1185917835.db2.gz PTPZDJYDPDNXQV-PBHICJAKSA-N 0 3 304.409 3.059 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C=C(\C)C2CC2)cc1 ZINC001501673283 1185920209 /nfs/dbraw/zinc/92/02/09/1185920209.db2.gz NXPRDLLGRYOZFF-MDJJKAFGSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccc(Cl)c(CCC)c2)CCC1 ZINC001502017420 1185947666 /nfs/dbraw/zinc/94/76/66/1185947666.db2.gz JHQMLLVCUNPUFD-UHFFFAOYSA-N 0 3 318.848 3.168 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cc(CCC)c(C)s2)CCC1 ZINC001502023982 1185948942 /nfs/dbraw/zinc/94/89/42/1185948942.db2.gz HVAFUPNLDWZFPH-UHFFFAOYSA-N 0 3 318.486 3.274 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001502380709 1185977333 /nfs/dbraw/zinc/97/73/33/1185977333.db2.gz RMLDSWVWEVNYTC-IBGZPJMESA-N 0 3 314.473 3.230 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1Cc2ccccc2CN1CCCC=C ZINC001502521358 1185991039 /nfs/dbraw/zinc/99/10/39/1185991039.db2.gz BQAUDNVQTHJXNB-HXUWFJFHSA-N 0 3 324.468 3.299 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001502546586 1185995461 /nfs/dbraw/zinc/99/54/61/1185995461.db2.gz UJCRCCNISBGZPJ-JGZYNSJSSA-N 0 3 322.880 3.247 20 30 DGEDHN C=CCCCN1CCOC2(CCN(C(=O)CCC(C)C)CC2)C1 ZINC001503711929 1186052283 /nfs/dbraw/zinc/05/22/83/1186052283.db2.gz NPLQIQAORLYJQN-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccsc1C(F)F ZINC001505459875 1186088389 /nfs/dbraw/zinc/08/83/89/1186088389.db2.gz ZJWQGXNLBBYBDP-NSHDSACASA-N 0 3 314.401 3.408 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC001505513427 1186096692 /nfs/dbraw/zinc/09/66/92/1186096692.db2.gz KRXIBTSTHLIFTM-NVNXTCNLSA-N 0 3 323.440 3.065 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)cc1F ZINC001505601844 1186111671 /nfs/dbraw/zinc/11/16/71/1186111671.db2.gz BBPZVERBLWHSDQ-QWHCGFSZSA-N 0 3 324.827 3.121 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001505615038 1186114321 /nfs/dbraw/zinc/11/43/21/1186114321.db2.gz UFXWNSVQJBURRI-QWRGUYRKSA-N 0 3 307.265 3.391 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001505615279 1186114360 /nfs/dbraw/zinc/11/43/60/1186114360.db2.gz VHUNWBPWJYRMMC-KGLIPLIRSA-N 0 3 306.425 3.411 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(F)CCCCC1 ZINC001505843029 1186147910 /nfs/dbraw/zinc/14/79/10/1186147910.db2.gz APDZZARVHPDRRS-UHFFFAOYSA-N 0 3 318.864 3.486 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001505836190 1186146700 /nfs/dbraw/zinc/14/67/00/1186146700.db2.gz ACBQOKOCOTYFJN-GXTWGEPZSA-N 0 3 300.874 3.249 20 30 DGEDHN C[C@H]1C[C@H]1C(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001506499339 1186233831 /nfs/dbraw/zinc/23/38/31/1186233831.db2.gz JVJSELXHXCUVBP-PKOBYXMFSA-N 0 3 324.468 3.103 20 30 DGEDHN C[C@@H]1C[C@H]1C(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001506499329 1186234012 /nfs/dbraw/zinc/23/40/12/1186234012.db2.gz JVJSELXHXCUVBP-IEBWSBKVSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2c(C)ccn2C)CCCCC1 ZINC001506502276 1186235137 /nfs/dbraw/zinc/23/51/37/1186235137.db2.gz MQAYRHOGSXETSR-UHFFFAOYSA-N 0 3 323.868 3.108 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCCCN1Cc1ccsc1 ZINC001506566957 1186252309 /nfs/dbraw/zinc/25/23/09/1186252309.db2.gz ZNOBWKFAYRADRI-QGZVFWFLSA-N 0 3 318.486 3.412 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)CCCNCc2ccccc2C#N)CC1 ZINC001506944237 1186319721 /nfs/dbraw/zinc/31/97/21/1186319721.db2.gz QLPDZGFGKXMMEH-HNNXBMFYSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1(C)CC(F)(F)C1 ZINC001506944777 1186319731 /nfs/dbraw/zinc/31/97/31/1186319731.db2.gz AQJHUPNWUBMBDV-NSHDSACASA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C2CC2)cn1 ZINC001506949624 1186320975 /nfs/dbraw/zinc/32/09/75/1186320975.db2.gz YWGLXPDFNOHWIX-ZDUSSCGKSA-N 0 3 321.852 3.200 20 30 DGEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001507076268 1186355437 /nfs/dbraw/zinc/35/54/37/1186355437.db2.gz OQHXWPMWFSEADX-ZIAGYGMSSA-N 0 3 322.399 3.122 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1occc1-c1ccccc1 ZINC001507098252 1186358911 /nfs/dbraw/zinc/35/89/11/1186358911.db2.gz LJXDADUYVHBURD-OAHLLOKOSA-N 0 3 310.397 3.020 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC001507154743 1186373502 /nfs/dbraw/zinc/37/35/02/1186373502.db2.gz HMUVKILATFBRJQ-GFCCVEGCSA-N 0 3 318.417 3.114 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@H]1C ZINC001507280389 1186380685 /nfs/dbraw/zinc/38/06/85/1186380685.db2.gz MLTXVKYEDMNTBX-HIFRSBDPSA-N 0 3 321.490 3.133 20 30 DGEDHN CCC(CC)C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001507298384 1186384968 /nfs/dbraw/zinc/38/49/68/1186384968.db2.gz DZFNLDVOHROHNH-APWZRJJASA-N 0 3 312.457 3.053 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001507339656 1186395343 /nfs/dbraw/zinc/39/53/43/1186395343.db2.gz GEOBSTBVMJUHJM-DOTOQJQBSA-N 0 3 304.459 3.328 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)CCCc3ccccc3)CCC[C@@H]12 ZINC001507348898 1186398842 /nfs/dbraw/zinc/39/88/42/1186398842.db2.gz QEYNZBQXOXNORL-TZIWHRDSSA-N 0 3 324.468 3.146 20 30 DGEDHN C=CCN1CCC[C@H](NC(=O)CCCc2ccc(C)cc2)[C@H]1C ZINC001507384417 1186412377 /nfs/dbraw/zinc/41/23/77/1186412377.db2.gz QJAZEJXGWCKDIT-MJGOQNOKSA-N 0 3 314.473 3.473 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1c(F)cccc1F)C(C)C ZINC001507831987 1186448629 /nfs/dbraw/zinc/44/86/29/1186448629.db2.gz YPFNJSQQBAILPR-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001508064208 1186475406 /nfs/dbraw/zinc/47/54/06/1186475406.db2.gz JZGUVEXNXJSEIL-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001508083495 1186479035 /nfs/dbraw/zinc/47/90/35/1186479035.db2.gz XHOJZBOFYMSGHE-FXAWDEMLSA-N 0 3 316.489 3.363 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)C(CC)CC)CC2)CC1 ZINC001508159903 1186485982 /nfs/dbraw/zinc/48/59/82/1186485982.db2.gz AXFUUWROMONPQN-MRXNPFEDSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 ZINC001514594186 1186716666 /nfs/dbraw/zinc/71/66/66/1186716666.db2.gz IGIBASAJGASPOB-KRWDZBQOSA-N 0 3 320.864 3.479 20 30 DGEDHN N#CC(C(=O)[C@@H]1CC12CCC2)c1nccn1Cc1ccccc1 ZINC001515834224 1186771393 /nfs/dbraw/zinc/77/13/93/1186771393.db2.gz CAQPVQAHINGJFT-CVEARBPZSA-N 0 3 305.381 3.298 20 30 DGEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H]1CC ZINC001516048181 1186776189 /nfs/dbraw/zinc/77/61/89/1186776189.db2.gz ZKAITYAZSZHMEY-HOTGVXAUSA-N 0 3 317.481 3.042 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001520036066 1186911864 /nfs/dbraw/zinc/91/18/64/1186911864.db2.gz JIQRRMGPUURMIY-GRYCIOLGSA-N 0 3 313.323 3.448 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001520028489 1186912223 /nfs/dbraw/zinc/91/22/23/1186912223.db2.gz FSWLCKYHDPIGIT-AXFHLTTASA-N 0 3 305.790 3.115 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2cccc(OC)c2)CC1 ZINC001521305916 1187012382 /nfs/dbraw/zinc/01/23/82/1187012382.db2.gz XQSSNEIAWPHKRI-SFHVURJKSA-N 0 3 316.445 3.085 20 30 DGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2F)cc1 ZINC001524036935 1187211124 /nfs/dbraw/zinc/21/11/24/1187211124.db2.gz GGKAVYFVPXNWLO-KFWWJZLASA-N 0 3 302.349 3.035 20 30 DGEDHN N#CC(C(=O)C[C@H]1C=CCC1)c1nccn1Cc1ccccc1 ZINC001524677716 1187259370 /nfs/dbraw/zinc/25/93/70/1187259370.db2.gz NENKZTHWRWPLMP-DOTOQJQBSA-N 0 3 305.381 3.464 20 30 DGEDHN N#CC(C(=O)C[C@@H]1C=CCC1)c1nccn1Cc1ccccc1 ZINC001524677717 1187259771 /nfs/dbraw/zinc/25/97/71/1187259771.db2.gz NENKZTHWRWPLMP-NVXWUHKLSA-N 0 3 305.381 3.464 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001526593848 1187377284 /nfs/dbraw/zinc/37/72/84/1187377284.db2.gz JTHWLIRJGAHSAN-IJLUTSLNSA-N 0 3 313.323 3.448 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001526593850 1187377555 /nfs/dbraw/zinc/37/75/55/1187377555.db2.gz JTHWLIRJGAHSAN-QJPTWQEYSA-N 0 3 313.323 3.448 20 30 DGEDHN C#Cc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(Cl)c1 ZINC001539131350 1188178370 /nfs/dbraw/zinc/17/83/70/1188178370.db2.gz PFJPXOORJGCAIV-KRWDZBQOSA-N 0 3 322.811 3.472 20 30 DGEDHN C=C[C@H](C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC001548676397 1188460808 /nfs/dbraw/zinc/46/08/08/1188460808.db2.gz CWPZCZOHMXUSPJ-SLFFLAALSA-N 0 3 320.436 3.170 20 30 DGEDHN Cc1cc(F)ccc1[C@@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC001617860259 1193583413 /nfs/dbraw/zinc/58/34/13/1193583413.db2.gz NDKIPCXWZVPCRL-SFHVURJKSA-N 0 3 310.372 3.318 20 30 DGEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC001617909865 1193585957 /nfs/dbraw/zinc/58/59/57/1193585957.db2.gz FTDGETXZHVQXAJ-OAHLLOKOSA-N 0 3 323.387 3.076 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccsc1 ZINC001565826691 1188979780 /nfs/dbraw/zinc/97/97/80/1188979780.db2.gz QWFQEOYZNWIZJL-GDBMZVCRSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCCC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)c1ccccc1 ZINC001556737721 1189016960 /nfs/dbraw/zinc/01/69/60/1189016960.db2.gz MPVQUDCJIVZTOJ-CEXWTWQISA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCCC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC001556737723 1189017052 /nfs/dbraw/zinc/01/70/52/1189017052.db2.gz MPVQUDCJIVZTOJ-GBESFXJTSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001556898920 1189027788 /nfs/dbraw/zinc/02/77/88/1189027788.db2.gz SWQIQDUVOTXCTJ-LZLYRXPVSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C[C@H](C(=O)N1CCN(C(C)(C)CC)CC1)c1ccccc1 ZINC001557293688 1189055069 /nfs/dbraw/zinc/05/50/69/1189055069.db2.gz SKQABLDBPWLYBJ-KRWDZBQOSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@@H](C(=O)N1CCN(C(C)(C)CC)CC1)c1ccccc1 ZINC001557293690 1189055540 /nfs/dbraw/zinc/05/55/40/1189055540.db2.gz SKQABLDBPWLYBJ-QGZVFWFLSA-N 0 3 300.446 3.289 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001559796796 1189242353 /nfs/dbraw/zinc/24/23/53/1189242353.db2.gz WZEHRIRJQGABOK-UHFFFAOYSA-N 0 3 311.813 3.188 20 30 DGEDHN CCOC(=O)[C@@H]1C2CCC(CC2)N1CC1CCC(C#N)CC1 ZINC001559859083 1189251356 /nfs/dbraw/zinc/25/13/56/1189251356.db2.gz UCRKDBCJSPRBSL-HWBDBZLXSA-N 0 3 304.434 3.122 20 30 DGEDHN C=CCCCN(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001560204546 1189290792 /nfs/dbraw/zinc/29/07/92/1189290792.db2.gz PEXKXEJXFPPVCZ-UHFFFAOYSA-N 0 3 305.809 3.438 20 30 DGEDHN N#Cc1ccc(CCNCc2ccn(-c3ccccc3)n2)cc1 ZINC001560531138 1189337034 /nfs/dbraw/zinc/33/70/34/1189337034.db2.gz VLCZBCFQVHRGPS-UHFFFAOYSA-N 0 3 302.381 3.076 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1nccn1-c1ccccc1)C2 ZINC001560566248 1189342670 /nfs/dbraw/zinc/34/26/70/1189342670.db2.gz JGANDEAMGQGCCK-SFHVURJKSA-N 0 3 314.392 3.001 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001565062314 1189617815 /nfs/dbraw/zinc/61/78/15/1189617815.db2.gz PBEGMERWVLPTJV-PMPSAXMXSA-N 0 3 307.482 3.293 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001565830460 1189682616 /nfs/dbraw/zinc/68/26/16/1189682616.db2.gz WCAKENFHZDONNO-HIFRSBDPSA-N 0 3 317.433 3.053 20 30 DGEDHN 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CC#CCN(C)[C@@H]1CCCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001567203650 1190068129 /nfs/dbraw/zinc/06/81/29/1190068129.db2.gz VGIICWWXBAGTHY-TVRKMHQQSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cc[nH]c1CC ZINC001567251198 1190097282 /nfs/dbraw/zinc/09/72/82/1190097282.db2.gz HSSNFKLICNCULQ-CQSZACIVSA-N 0 3 323.868 3.304 20 30 DGEDHN CC#CCCCC(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001567298006 1190116620 /nfs/dbraw/zinc/11/66/20/1190116620.db2.gz HAVKFVNQFNMMSU-UHFFFAOYSA-N 0 3 300.446 3.045 20 30 DGEDHN CCN(CCNC(=O)/C=C/C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001567328822 1190133089 /nfs/dbraw/zinc/13/30/89/1190133089.db2.gz KIWDWVPVILLCFV-ZHACJKMWSA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1oc2c(cccc2C)c1C ZINC001567353867 1190148191 /nfs/dbraw/zinc/14/81/91/1190148191.db2.gz INGOVLXRULDDSK-UHFFFAOYSA-N 0 3 300.402 3.287 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H](CC)c1ccccc1 ZINC001567383069 1190162800 /nfs/dbraw/zinc/16/28/00/1190162800.db2.gz PFYTXNPRIHWVMC-FUHWJXTLSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCc1sccc1C ZINC001567382182 1190163097 /nfs/dbraw/zinc/16/30/97/1190163097.db2.gz FLHIZDCNGPLTPU-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001567421000 1190180741 /nfs/dbraw/zinc/18/07/41/1190180741.db2.gz IDMSRASLZCWYHE-UYAOXDASSA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCN(CCC)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001567426366 1190185155 /nfs/dbraw/zinc/18/51/55/1190185155.db2.gz YRORTEJRYCZMCH-IYARVYRRSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2c(cccc2C)o1 ZINC001567432839 1190189594 /nfs/dbraw/zinc/18/95/94/1190189594.db2.gz MYNKEYKAKXWDNO-UHFFFAOYSA-N 0 3 312.413 3.206 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cc(F)cc(Cl)c1)C1CC1 ZINC001567450817 1190200483 /nfs/dbraw/zinc/20/04/83/1190200483.db2.gz RHYLNZYFCRXEIF-UHFFFAOYSA-N 0 3 310.800 3.249 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCNCc1ccc(Cl)c(OC)c1 ZINC001567503960 1190211684 /nfs/dbraw/zinc/21/16/84/1190211684.db2.gz 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1190348036 /nfs/dbraw/zinc/34/80/36/1190348036.db2.gz JYJIIWSNBMTDRF-QGZVFWFLSA-N 0 3 300.446 3.322 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001567924878 1190356121 /nfs/dbraw/zinc/35/61/21/1190356121.db2.gz HPEKUPAPEZNQPT-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccccc2F)C1 ZINC001567944008 1190368709 /nfs/dbraw/zinc/36/87/09/1190368709.db2.gz KFZSCQMLDURTPJ-JKSUJKDBSA-N 0 3 318.436 3.428 20 30 DGEDHN CC[C@H](CNC(=O)CC(C)C)NCC#Cc1cccc(Cl)c1 ZINC001567947134 1190370634 /nfs/dbraw/zinc/37/06/34/1190370634.db2.gz GFKSYEJQYFIIIU-QGZVFWFLSA-N 0 3 320.864 3.222 20 30 DGEDHN CC[C@H](CNC(=O)/C=C\C(C)(C)C)NCC#Cc1ccccc1 ZINC001567952266 1190372512 /nfs/dbraw/zinc/37/25/12/1190372512.db2.gz GPKPCQSHPZYWRE-SWNWVQGVSA-N 0 3 312.457 3.125 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)NCc1cc2ccccc2o1 ZINC001567953029 1190373821 /nfs/dbraw/zinc/37/38/21/1190373821.db2.gz OUBHAWTUCODXTD-HNNXBMFYSA-N 0 3 300.402 3.383 20 30 DGEDHN 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C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cc(C)ccc1C ZINC001568674333 1190576959 /nfs/dbraw/zinc/57/69/59/1190576959.db2.gz KOECDXNUTXSAGT-HNNXBMFYSA-N 0 3 308.853 3.083 20 30 DGEDHN CC(C(=O)NC/C=C\CNCc1cccc(C#N)c1)=C1CCCC1 ZINC001568834216 1190593242 /nfs/dbraw/zinc/59/32/42/1190593242.db2.gz BRLYQOGITUIULR-PLNGDYQASA-N 0 3 323.440 3.211 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CNCc1cc(C)sc1C ZINC001568856577 1190595195 /nfs/dbraw/zinc/59/51/95/1190595195.db2.gz DZZZZZQJASOFEA-WAYWQWQTSA-N 0 3 306.475 3.483 20 30 DGEDHN C#CCNC/C=C\CNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC001568929375 1190601096 /nfs/dbraw/zinc/60/10/96/1190601096.db2.gz ZDTIVOMKBQLMRB-CNZFZVQHSA-N 0 3 304.478 3.124 20 30 DGEDHN C=CCCCC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001569015190 1190608672 /nfs/dbraw/zinc/60/86/72/1190608672.db2.gz BFLCRNDHHCQPAT-OAHLLOKOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001569059669 1190614996 /nfs/dbraw/zinc/61/49/96/1190614996.db2.gz CETWHENCJKYCKA-QWHCGFSZSA-N 0 3 310.388 3.476 20 30 DGEDHN CC(C)c1occc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001569100004 1190621357 /nfs/dbraw/zinc/62/13/57/1190621357.db2.gz OOLOTNDQRWYHGM-INIZCTEOSA-N 0 3 324.424 3.163 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1sccc1C(F)F ZINC001569262159 1190658100 /nfs/dbraw/zinc/65/81/00/1190658100.db2.gz QSRDVMQMVDOLMI-UHFFFAOYSA-N 0 3 322.808 3.490 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1CCCc1ccccc1C ZINC001569367773 1190678763 /nfs/dbraw/zinc/67/87/63/1190678763.db2.gz NURNBCCOBILXFT-GOSISDBHSA-N 0 3 314.473 3.330 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001569366656 1190678960 /nfs/dbraw/zinc/67/89/60/1190678960.db2.gz SIRBDTBJFLIGCE-KRWDZBQOSA-N 0 3 315.461 3.249 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2CCN2CC2CC(C)C2)CCCC1 ZINC001569387128 1190689031 /nfs/dbraw/zinc/68/90/31/1190689031.db2.gz CJTFZEJRNNPCTD-OFLPRAFFSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C[C@@H](CC(=O)NCC1(NC/C=C/Cl)CC1)c1ccccc1 ZINC001569431626 1190697315 /nfs/dbraw/zinc/69/73/15/1190697315.db2.gz 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1190749211 /nfs/dbraw/zinc/74/92/11/1190749211.db2.gz MHYUAJKQEZWLOM-GOSISDBHSA-N 0 3 322.399 3.291 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C1CC(C)(C)C1 ZINC001569868835 1190766887 /nfs/dbraw/zinc/76/68/87/1190766887.db2.gz HIXJGIOWXNDBEE-UHFFFAOYSA-N 0 3 312.457 3.064 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCCCCC)C[C@@H]2C1 ZINC001569878412 1190768330 /nfs/dbraw/zinc/76/83/30/1190768330.db2.gz YIMHXACFCCCDEZ-QRVBRYPASA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C/C=C/c1ccc(C)cc1 ZINC001569917479 1190773653 /nfs/dbraw/zinc/77/36/53/1190773653.db2.gz SSJYRXDZDHSLHW-KGETVQGISA-N 0 3 322.452 3.097 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001569920562 1190775402 /nfs/dbraw/zinc/77/54/02/1190775402.db2.gz UHYUWOGTXAGDNN-RYQLBKOJSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cnccc2C)CCC1 ZINC001570105349 1190796281 /nfs/dbraw/zinc/79/62/81/1190796281.db2.gz RJASILIYWMHEBN-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2scnc2C)CCC1 ZINC001570113913 1190798849 /nfs/dbraw/zinc/79/88/49/1190798849.db2.gz MVEUJVZGUFOEFX-AWEZNQCLSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001570188905 1190812604 /nfs/dbraw/zinc/81/26/04/1190812604.db2.gz DVIKCQFPMVJYER-UTSMFGRCSA-N 0 3 310.441 3.002 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001570197932 1190816631 /nfs/dbraw/zinc/81/66/31/1190816631.db2.gz XGJZMRWMURUCAH-UHFFFAOYSA-N 0 3 317.477 3.273 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](CC)C(C)C)C2 ZINC001570274510 1190836008 /nfs/dbraw/zinc/83/60/08/1190836008.db2.gz DYUBNNLROVQQGI-UYAOXDASSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2Cl)C1 ZINC001570335096 1190839765 /nfs/dbraw/zinc/83/97/65/1190839765.db2.gz UEUDELAMEQWZSX-CJNGLKHVSA-N 0 3 306.837 3.243 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C/Cc2ccccc2)C[C@@H]1C ZINC001570436743 1190858896 /nfs/dbraw/zinc/85/88/96/1190858896.db2.gz 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CC(C)C#CC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001570710480 1190926029 /nfs/dbraw/zinc/92/60/29/1190926029.db2.gz IRUGFEASLLGYKH-GJZGRUSLSA-N 0 3 320.864 3.497 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001570860372 1190967556 /nfs/dbraw/zinc/96/75/56/1190967556.db2.gz SJGSJCIQLDZYBG-RHSMWYFYSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccc2F)C(C)(C)C1 ZINC001570909049 1190975167 /nfs/dbraw/zinc/97/51/67/1190975167.db2.gz BPMCJZRBZRGHMP-KRWDZBQOSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001571117550 1190982886 /nfs/dbraw/zinc/98/28/86/1190982886.db2.gz DTGXCBROWZPROF-JYJNAYRXSA-N 0 3 310.869 3.360 20 30 DGEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](CC)CCCC)CCC[C@H]12 ZINC001571496202 1191031833 /nfs/dbraw/zinc/03/18/33/1191031833.db2.gz AUHWIZODCBYLEV-JENIJYKNSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCOCC(C)C)[C@H]1C ZINC001571518910 1191040463 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C=C1CC(C)(C(=O)N[C@@H](CNCc2ccccn2)C(C)(C)C)C1 ZINC001571631903 1191069208 /nfs/dbraw/zinc/06/92/08/1191069208.db2.gz IPAISXFYWSBHLA-INIZCTEOSA-N 0 3 315.461 3.058 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001571646298 1191073848 /nfs/dbraw/zinc/07/38/48/1191073848.db2.gz PDMFXNMANVETCZ-OHTSDLOESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001571650116 1191074957 /nfs/dbraw/zinc/07/49/57/1191074957.db2.gz GOWPRNFWPBFKRY-CVEARBPZSA-N 0 3 306.494 3.299 20 30 DGEDHN C=CCN1CC=C(CNC(=O)Cc2cccc(C(F)F)c2)CC1 ZINC001571690603 1191083617 /nfs/dbraw/zinc/08/36/17/1191083617.db2.gz GUOVLEDGRNEKRO-UHFFFAOYSA-N 0 3 320.383 3.101 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC(C)(C)c2ccccc2)CC1 ZINC001571700702 1191085322 /nfs/dbraw/zinc/08/53/22/1191085322.db2.gz LSAOWCNMJACAEN-UHFFFAOYSA-N 0 3 312.457 3.289 20 30 DGEDHN C#C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC001574505124 1191445303 /nfs/dbraw/zinc/44/53/03/1191445303.db2.gz 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/nfs/dbraw/zinc/78/63/34/1194786334.db2.gz IRFLXDBISQYEDJ-ZBFHGGJFSA-N 0 3 314.420 3.216 20 30 DGEDHN N#CC[C@@H]1CCCN(CCc2cccc3c2OC(F)(F)O3)C1 ZINC001643796652 1195054046 /nfs/dbraw/zinc/05/40/46/1195054046.db2.gz RXJXNFPEQSKDOP-LBPRGKRZSA-N 0 3 308.328 3.176 20 30 DGEDHN C#CCN(C1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001644482705 1195112434 /nfs/dbraw/zinc/11/24/34/1195112434.db2.gz KPNMKNVZMHJLGJ-HXUWFJFHSA-N 0 3 324.468 3.446 20 30 DGEDHN CC(C)C[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC001644636495 1195122466 /nfs/dbraw/zinc/12/24/66/1195122466.db2.gz DVGGPVDPEICHKU-INIZCTEOSA-N 0 3 305.853 3.374 20 30 DGEDHN C=CCO[C@@H]1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001645015842 1195150804 /nfs/dbraw/zinc/15/08/04/1195150804.db2.gz NWVVQCSJCHHLRL-CABCVRRESA-N 0 3 315.335 3.016 20 30 DGEDHN C=CCN(Cc1cnc(OC)c2ccccc12)[C@H](C)COC ZINC001647737743 1195251201 /nfs/dbraw/zinc/25/12/01/1195251201.db2.gz OVVIRJBOVXEXFK-CQSZACIVSA-N 0 3 300.402 3.266 20 30 DGEDHN CN(C)CC#CCNc1nc(-c2ccccc2)nc2ccccc21 ZINC001651314935 1195442990 /nfs/dbraw/zinc/44/29/90/1195442990.db2.gz GIHALRRKXVIJRN-UHFFFAOYSA-N 0 3 316.408 3.274 20 30 DGEDHN N#Cc1cc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)cc1F ZINC001652106152 1195548210 /nfs/dbraw/zinc/54/82/10/1195548210.db2.gz AMQFXJMWLBDIMP-CYBMUJFWSA-N 0 3 318.352 3.034 20 30 DGEDHN C=CCN(C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC001652146465 1195552972 /nfs/dbraw/zinc/55/29/72/1195552972.db2.gz NQWOPXJADBBMPX-CYBMUJFWSA-N 0 3 316.392 3.282 20 30 DGEDHN C[C@H](C#N)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001652167810 1195556789 /nfs/dbraw/zinc/55/67/89/1195556789.db2.gz PZOVYVJGMPUJJW-KGLIPLIRSA-N 0 3 309.454 3.161 20 30 DGEDHN C=CC[C@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001652426472 1195596096 /nfs/dbraw/zinc/59/60/96/1195596096.db2.gz HBMPOMNPUAHUBA-HNNXBMFYSA-N 0 3 306.413 3.193 20 30 DGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC(C)(C)O1 ZINC001652437849 1195596742 /nfs/dbraw/zinc/59/67/42/1195596742.db2.gz QJUKOQFAEBFLIW-SFHVURJKSA-N 0 3 316.445 3.354 20 30 DGEDHN C=CCCCCCN(C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC001652546977 1195616367 /nfs/dbraw/zinc/61/63/67/1195616367.db2.gz SRRVVLOAAKNZLB-KRWDZBQOSA-N 0 3 316.445 3.479 20 30 DGEDHN CN(CCc1cccc(C#N)c1)Cc1cnc2ccccc2n1 ZINC001652989334 1195678060 /nfs/dbraw/zinc/67/80/60/1195678060.db2.gz KQJBIRPWLRLGBY-UHFFFAOYSA-N 0 3 302.381 3.176 20 30 DGEDHN CCCCCCCCCCN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001654953352 1195858088 /nfs/dbraw/zinc/85/80/88/1195858088.db2.gz MUGFCRLTBIDPDR-IYBDPMFKSA-N 0 3 301.496 3.104 20 30 DGEDHN C[C@H](CN(C)[C@H]1CCN(c2sccc2C#N)C1=O)C(C)(C)C ZINC001655536000 1195929558 /nfs/dbraw/zinc/92/95/58/1195929558.db2.gz UPBPJRIOIOIMAI-OCCSQVGLSA-N 0 3 319.474 3.339 20 30 DGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001655743767 1195959391 /nfs/dbraw/zinc/95/93/91/1195959391.db2.gz IRBRYIPWYJJLEG-LPPNQSFOSA-N 0 3 321.424 3.029 20 30 DGEDHN C=CCN1CC[C@H](N2CCC(c3cc(C)cc(C)c3)CC2)C1=O ZINC001655813917 1195965756 /nfs/dbraw/zinc/96/57/56/1195965756.db2.gz ZNHMPVCFPOBQEJ-IBGZPJMESA-N 0 3 312.457 3.270 20 30 DGEDHN C#C[C@@H]1CCCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001655826343 1195967823 /nfs/dbraw/zinc/96/78/23/1195967823.db2.gz FQNKZQVVLSTPGS-OAHLLOKOSA-N 0 3 315.804 3.420 20 30 DGEDHN C=C(C)COCCNCc1c(C)nn(-c2ccccc2C)c1C ZINC001655896633 1195974957 /nfs/dbraw/zinc/97/49/57/1195974957.db2.gz KKMRZNCAMIATOV-UHFFFAOYSA-N 0 3 313.445 3.480 20 30 DGEDHN Cn1cc(CNCc2cccc(C#N)c2)c(-c2ccc(F)cc2)n1 ZINC001656026996 1195989215 /nfs/dbraw/zinc/98/92/15/1195989215.db2.gz BIVDTXOFGIIAHV-UHFFFAOYSA-N 0 3 320.371 3.388 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001656222072 1196019753 /nfs/dbraw/zinc/01/97/53/1196019753.db2.gz BSGGUOQEMAZASP-JHJVBQTASA-N 0 3 312.866 3.089 20 30 DGEDHN COc1ccc(Cl)cc1[C@@H](O)CNCc1cc(C#N)cs1 ZINC001656247613 1196023479 /nfs/dbraw/zinc/02/34/79/1196023479.db2.gz KPYXRHGZQWMCEC-AWEZNQCLSA-N 0 3 322.817 3.105 20 30 DGEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)C=C)C1 ZINC001656251859 1196024011 /nfs/dbraw/zinc/02/40/11/1196024011.db2.gz MLCDQXZNHYSJBX-RBUKOAKNSA-N 0 3 324.468 3.196 20 30 DGEDHN N#Cc1ccc(CCNCc2csc(-c3ccccn3)n2)cc1 ZINC001656622572 1196055200 /nfs/dbraw/zinc/05/52/00/1196055200.db2.gz KSFUWMGBQLWIJH-UHFFFAOYSA-N 0 3 320.421 3.409 20 30 DGEDHN CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1C/C=C\c1ccccc1 ZINC001656708086 1196064354 /nfs/dbraw/zinc/06/43/54/1196064354.db2.gz UDMGAQXMDGAEIS-WLTZFMEZSA-N 0 3 324.468 3.328 20 30 DGEDHN CC(C)COc1ccccc1CNCCNc1ccc(C#N)cn1 ZINC001656725847 1196065807 /nfs/dbraw/zinc/06/58/07/1196065807.db2.gz AJHOZZKZDCSEMZ-UHFFFAOYSA-N 0 3 324.428 3.190 20 30 DGEDHN C=CCOCCN1CC[C@H](NC(=O)C2(CC)CCCCC2)[C@H]1C ZINC001657044245 1196096211 /nfs/dbraw/zinc/09/62/11/1196096211.db2.gz PPBVVFYTGYQENA-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cc(F)ccc1F ZINC001657070833 1196100159 /nfs/dbraw/zinc/10/01/59/1196100159.db2.gz HGZJESIXONBUMH-INIZCTEOSA-N 0 3 322.399 3.006 20 30 DGEDHN C=CC[C@@H](C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001657436467 1196140992 /nfs/dbraw/zinc/14/09/92/1196140992.db2.gz ZWZBKOSTCAHHSX-HUUCEWRRSA-N 0 3 320.864 3.380 20 30 DGEDHN Cc1ccc(C2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)cn1 ZINC001657899173 1196191346 /nfs/dbraw/zinc/19/13/46/1196191346.db2.gz BZNAMVIWWKWAPW-HXUWFJFHSA-N 0 3 321.424 3.175 20 30 DGEDHN C#CCOc1ccccc1CNC[C@H](Cc1ccccc1)OC ZINC001657993281 1196199666 /nfs/dbraw/zinc/19/96/66/1196199666.db2.gz NJRWIMPEQWGDDW-IBGZPJMESA-N 0 3 309.409 3.046 20 30 DGEDHN CCc1ccc([C@@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC001657992933 1196199726 /nfs/dbraw/zinc/19/97/26/1196199726.db2.gz CTAQEPBYIYYZBE-SPYBWZPUSA-N 0 3 315.461 3.343 20 30 DGEDHN C=C(CC)CNCc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001658123555 1196213883 /nfs/dbraw/zinc/21/38/83/1196213883.db2.gz XXWWXYQIGAQUHD-UHFFFAOYSA-N 0 3 312.360 3.126 20 30 DGEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CCOCC2)cc1 ZINC001659082172 1196342367 /nfs/dbraw/zinc/34/23/67/1196342367.db2.gz RKLKYGKFEYKLLQ-CABCVRRESA-N 0 3 302.418 3.097 20 30 DGEDHN N#Cc1sccc1N1CCN(CC2Cc3ccccc3C2)CC1 ZINC001659649649 1196402617 /nfs/dbraw/zinc/40/26/17/1196402617.db2.gz WGQPAJLZGAAIEE-UHFFFAOYSA-N 0 3 323.465 3.157 20 30 DGEDHN C#C[C@H](N[C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@@H]12)c1ccc(Cl)cc1 ZINC001659929619 1196429408 /nfs/dbraw/zinc/42/94/08/1196429408.db2.gz MGMSERBHBAOZJW-YRVYGCIDSA-N 0 3 317.816 3.192 20 30 DGEDHN CN(C/C=C/c1cccc(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001660210464 1196457330 /nfs/dbraw/zinc/45/73/30/1196457330.db2.gz LZYQCNLRZVPWAN-ZLHKHBAESA-N 0 3 310.372 3.376 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1C=CC=CC=C1 ZINC001660439791 1196483876 /nfs/dbraw/zinc/48/38/76/1196483876.db2.gz KRPLGDZNSWCBPC-RDJZCZTQSA-N 0 3 320.864 3.397 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCCC#CC ZINC001660447136 1196485221 /nfs/dbraw/zinc/48/52/21/1196485221.db2.gz NHCZRLCSQYJWIK-HOTGVXAUSA-N 0 3 310.869 3.292 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001660965949 1196547404 /nfs/dbraw/zinc/54/74/04/1196547404.db2.gz MCARBNUJXBTFBH-DNVCBOLYSA-N 0 3 312.457 3.393 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001661011439 1196553032 /nfs/dbraw/zinc/55/30/32/1196553032.db2.gz RILBVZXLMDGBHU-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001661019633 1196554019 /nfs/dbraw/zinc/55/40/19/1196554019.db2.gz BYHYJFBUZXZFFC-SJLPKXTDSA-N 0 3 320.502 3.474 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001661665744 1196629610 /nfs/dbraw/zinc/62/96/10/1196629610.db2.gz LGRTUOPRPLDBFM-BNOWGMLFSA-N 0 3 324.827 3.309 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001661879825 1196656912 /nfs/dbraw/zinc/65/69/12/1196656912.db2.gz BOBMOEDCJAIWBO-GOEBONIOSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1Cl ZINC001661881411 1196657178 /nfs/dbraw/zinc/65/71/78/1196657178.db2.gz XQODDKMDXOXLQW-OAHLLOKOSA-N 0 3 324.827 3.178 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001661921699 1196662482 /nfs/dbraw/zinc/66/24/82/1196662482.db2.gz JAGGQHFUJOJBAP-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1CCC(NCc2cnc(C)o2)CC1 ZINC001662109258 1196682236 /nfs/dbraw/zinc/68/22/36/1196682236.db2.gz QZAOYGBDCOGTDR-UHFFFAOYSA-N 0 3 319.449 3.102 20 30 DGEDHN C[C@H](C#N)C(=O)NC[C@H](C)NC1c2ccccc2-c2ccccc21 ZINC001662180419 1196690953 /nfs/dbraw/zinc/69/09/53/1196690953.db2.gz UXIVSXSZJIOHFX-KGLIPLIRSA-N 0 3 319.408 3.010 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001662320725 1196707271 /nfs/dbraw/zinc/70/72/71/1196707271.db2.gz YHJMCHHCAYIHRM-NSHDSACASA-N 0 3 300.855 3.352 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001662771862 1196749482 /nfs/dbraw/zinc/74/94/82/1196749482.db2.gz APWYREDSIHAEEF-HUUCEWRRSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ccn(C(C)C)n1 ZINC001662959776 1196776998 /nfs/dbraw/zinc/77/69/98/1196776998.db2.gz MEKRVHHABZDUOZ-HNNXBMFYSA-N 0 3 320.481 3.051 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1ncc(C)s1 ZINC001662979496 1196779467 /nfs/dbraw/zinc/77/94/67/1196779467.db2.gz KSGJGVBGJOSEDA-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN CC(=O)NCCC[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC001663019244 1196783560 /nfs/dbraw/zinc/78/35/60/1196783560.db2.gz AMAURXQRWGBPFL-GOSISDBHSA-N 0 3 318.848 3.072 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ccc(C)o1 ZINC001663032023 1196786291 /nfs/dbraw/zinc/78/62/91/1196786291.db2.gz VTIYXWHTOJSWRD-AWEZNQCLSA-N 0 3 310.825 3.315 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](C)CSC ZINC001663040904 1196787486 /nfs/dbraw/zinc/78/74/86/1196787486.db2.gz VKQKGAUQTFSKHJ-GXTWGEPZSA-N 0 3 318.914 3.099 20 30 DGEDHN C#CCCCC(=O)NCCN(C)[C@@H](CC)c1ccc(F)cc1 ZINC001663172504 1196804990 /nfs/dbraw/zinc/80/49/90/1196804990.db2.gz ZRVRKCRFAYEGCU-KRWDZBQOSA-N 0 3 304.409 3.128 20 30 DGEDHN C#CCOc1ccc(CNCc2c[nH]c(=O)c3ccccc23)cc1 ZINC001663299392 1196828655 /nfs/dbraw/zinc/82/86/55/1196828655.db2.gz SYKPIYMPYZFVGO-UHFFFAOYSA-N 0 3 318.376 3.242 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1sc(C2CC2)nc1C)C1CC1 ZINC001663722057 1196934892 /nfs/dbraw/zinc/93/48/92/1196934892.db2.gz BSSOFAXHGMYKQT-UHFFFAOYSA-N 0 3 319.474 3.099 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1cncc2ccccc21)C1CC1 ZINC001663776991 1196944787 /nfs/dbraw/zinc/94/47/87/1196944787.db2.gz CQAHMVGWUYBDAY-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccccc1C)c1ccccc1 ZINC001664597679 1197018690 /nfs/dbraw/zinc/01/86/90/1197018690.db2.gz CFXHUJVQHLQTAY-LJQANCHMSA-N 0 3 308.425 3.171 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC12CCCC2)c1ccccc1 ZINC001664597750 1197019221 /nfs/dbraw/zinc/01/92/21/1197019221.db2.gz FCVDTDKAZUJYRD-ROUUACIJSA-N 0 3 310.441 3.037 20 30 DGEDHN Fc1ccc(OCCNCC#Cc2ccccc2)cc1Cl ZINC001664771057 1197055071 /nfs/dbraw/zinc/05/50/71/1197055071.db2.gz IEQLBBBSOZVJTI-UHFFFAOYSA-N 0 3 303.764 3.499 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001665069091 1197094115 /nfs/dbraw/zinc/09/41/15/1197094115.db2.gz UHKBYVXNZFONMU-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001665317035 1197121787 /nfs/dbraw/zinc/12/17/87/1197121787.db2.gz HIFURJMSVUCVKM-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001665317283 1197121822 /nfs/dbraw/zinc/12/18/22/1197121822.db2.gz MPZMSAIMHZBFAP-UHFFFAOYSA-N 0 3 300.446 3.145 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1C ZINC001665413637 1197133563 /nfs/dbraw/zinc/13/35/63/1197133563.db2.gz WICJILINISWKPC-IRXDYDNUSA-N 0 3 317.477 3.203 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001665465829 1197140953 /nfs/dbraw/zinc/14/09/53/1197140953.db2.gz XFXDOPROXZQHLB-SFHVURJKSA-N 0 3 323.440 3.282 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001665509077 1197145638 /nfs/dbraw/zinc/14/56/38/1197145638.db2.gz DUYJUDPSGMELNY-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCOC(C)C)C2)CCCCC1 ZINC001665512724 1197146387 /nfs/dbraw/zinc/14/63/87/1197146387.db2.gz OIHIWNNSNSDJEG-KRWDZBQOSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCC#Cc2ccccc2)CC1 ZINC001665839470 1197205205 /nfs/dbraw/zinc/20/52/05/1197205205.db2.gz PBXHEOGKTITLJE-HXUWFJFHSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC001666135028 1197239177 /nfs/dbraw/zinc/23/91/77/1197239177.db2.gz KMBAMYHKFVUXFA-CQSZACIVSA-N 0 3 310.825 3.172 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C1CCCCC1 ZINC001666844780 1197290117 /nfs/dbraw/zinc/29/01/17/1197290117.db2.gz SLOLXVQYPQGJCA-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN CC(C)CCCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001666997226 1197306784 /nfs/dbraw/zinc/30/67/84/1197306784.db2.gz LBJUJOWGOCBXGQ-AWEZNQCLSA-N 0 3 321.490 3.383 20 30 DGEDHN CCC(=O)N1CCC(CCN(C)CC#Cc2ccccc2)CC1 ZINC001667406080 1197345226 /nfs/dbraw/zinc/34/52/26/1197345226.db2.gz ULTXGBLRDPZFLO-UHFFFAOYSA-N 0 3 312.457 3.009 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](N[C@@H](C)c1ccccc1F)C(C)C ZINC001667452324 1197349755 /nfs/dbraw/zinc/34/97/55/1197349755.db2.gz KIZSYGQVWNJJCR-MAUKXSAKSA-N 0 3 318.436 3.421 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)Cc1ccc(C(F)F)cc1 ZINC001667561821 1197362921 /nfs/dbraw/zinc/36/29/21/1197362921.db2.gz KYXPCDHKYHSQLT-UHFFFAOYSA-N 0 3 322.399 3.174 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC001667600262 1197366310 /nfs/dbraw/zinc/36/63/10/1197366310.db2.gz DKMTUDVYHCBKRG-UHFFFAOYSA-N 0 3 313.445 3.067 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC001667595885 1197366759 /nfs/dbraw/zinc/36/67/59/1197366759.db2.gz JMKDZJLZJMNTPI-CYBMUJFWSA-N 0 3 310.388 3.035 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1sc(C)cc1C ZINC001668076757 1197399026 /nfs/dbraw/zinc/39/90/26/1197399026.db2.gz SRKIBUSEYNRNQG-NSHDSACASA-N 0 3 300.855 3.215 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccc(C)c(C)c1 ZINC001668298414 1197408799 /nfs/dbraw/zinc/40/87/99/1197408799.db2.gz CCIUWDQUCBNHDZ-OAHLLOKOSA-N 0 3 308.853 3.083 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001668977214 1197435659 /nfs/dbraw/zinc/43/56/59/1197435659.db2.gz DXILREUFLBBTJK-WAYWQWQTSA-N 0 3 306.837 3.314 20 30 DGEDHN CCC[C@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001669521140 1197460337 /nfs/dbraw/zinc/46/03/37/1197460337.db2.gz UYOKTGHTDKYFSA-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001669639147 1197467139 /nfs/dbraw/zinc/46/71/39/1197467139.db2.gz LXVDYMGVNYVHKK-LBPRGKRZSA-N 0 3 312.866 3.189 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001669799841 1197483910 /nfs/dbraw/zinc/48/39/10/1197483910.db2.gz CCGNXIFXIGBZSH-KBXCAEBGSA-N 0 3 316.420 3.053 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)Cc1cccc(C(F)F)c1 ZINC001669806544 1197486125 /nfs/dbraw/zinc/48/61/25/1197486125.db2.gz OXBZSSXWOPEHQS-CQSZACIVSA-N 0 3 322.399 3.220 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)Cc2cccc(C)c2)C1 ZINC001669877146 1197496655 /nfs/dbraw/zinc/49/66/55/1197496655.db2.gz CKUVJQZLMXQKNR-INIZCTEOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC001669916069 1197503491 /nfs/dbraw/zinc/50/34/91/1197503491.db2.gz WGCSBIOSNRLKEY-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNCc1cnc(C)o1 ZINC001669955136 1197511335 /nfs/dbraw/zinc/51/13/35/1197511335.db2.gz GEDYNPPIRRWISJ-RDJZCZTQSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2ccc(Cl)cc2)CC1 ZINC001671423087 1197539044 /nfs/dbraw/zinc/53/90/44/1197539044.db2.gz JBLMHRUVQAADPF-UHFFFAOYSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001671913031 1197585186 /nfs/dbraw/zinc/58/51/86/1197585186.db2.gz WZXOYDFSHZHMTO-DNVCBOLYSA-N 0 3 318.436 3.334 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001671969028 1197588155 /nfs/dbraw/zinc/58/81/55/1197588155.db2.gz QZDYDTBUGTYLGW-KGLIPLIRSA-N 0 3 320.399 3.164 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@H](C=C)CC)C2)CC1 ZINC001672172019 1197594145 /nfs/dbraw/zinc/59/41/45/1197594145.db2.gz VUFMBMVXZAGMHN-MJGOQNOKSA-N 0 3 316.489 3.173 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)/C(C)=C\CC)C2)CC1 ZINC001672170658 1197594393 /nfs/dbraw/zinc/59/43/93/1197594393.db2.gz JDASAAVOECYZII-OGHDXOPJSA-N 0 3 316.489 3.317 20 30 DGEDHN N#Cc1cc(NC(=O)NCCN2CCCCC2)ccc1C1CC1 ZINC001672753867 1197621637 /nfs/dbraw/zinc/62/16/37/1197621637.db2.gz UTQQIEREZSXOJE-UHFFFAOYSA-N 0 3 312.417 3.043 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC001672821030 1197624477 /nfs/dbraw/zinc/62/44/77/1197624477.db2.gz PVYKJMCSTDRHEK-KRWDZBQOSA-N 0 3 320.864 3.118 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)C(C)(F)F)cc1 ZINC001672943454 1197630213 /nfs/dbraw/zinc/63/02/13/1197630213.db2.gz MMTDWPHLQWTIKF-KGLIPLIRSA-N 0 3 322.399 3.268 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C(C)(C)C3CC3)cccc2C1 ZINC001673079453 1197636765 /nfs/dbraw/zinc/63/67/65/1197636765.db2.gz AKQDOXLVAKAAGW-UHFFFAOYSA-N 0 3 324.468 3.120 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cccnc2C)CCC1 ZINC001673215064 1197644477 /nfs/dbraw/zinc/64/44/77/1197644477.db2.gz UFWRXLJFPUUAOU-UHFFFAOYSA-N 0 3 315.461 3.121 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)CC1 ZINC001673391738 1197655558 /nfs/dbraw/zinc/65/55/58/1197655558.db2.gz SNUHDAKRUGQEQQ-LJQANCHMSA-N 0 3 312.457 3.003 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001673497174 1197669759 /nfs/dbraw/zinc/66/97/59/1197669759.db2.gz YTOUXZDSQBWTNR-QZTJIDSGSA-N 0 3 322.468 3.100 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@H](CC)OC)cc2C1 ZINC001673761302 1197690826 /nfs/dbraw/zinc/69/08/26/1197690826.db2.gz SLRGBFUFPUCOFM-SFHVURJKSA-N 0 3 316.445 3.010 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001674114713 1197731690 /nfs/dbraw/zinc/73/16/90/1197731690.db2.gz LUIOBVAPILJTFY-MAUKXSAKSA-N 0 3 313.445 3.218 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C[C@@H]1C ZINC001674155979 1197740715 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C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCOc1ccc(C)cc1 ZINC001674977116 1197941680 /nfs/dbraw/zinc/94/16/80/1197941680.db2.gz WNGZBWKCCKALQW-INIZCTEOSA-N 0 3 318.461 3.023 20 30 DGEDHN C#CCC1(C(=O)NC[C@@H](C)N(C)CC=C(C)C)CCCCC1 ZINC001675054610 1197981580 /nfs/dbraw/zinc/98/15/80/1197981580.db2.gz PWXMISAYWPYHEI-QGZVFWFLSA-N 0 3 304.478 3.363 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001675348771 1198048555 /nfs/dbraw/zinc/04/85/55/1198048555.db2.gz HIQDPUORIOXERO-FUHWJXTLSA-N 0 3 314.473 3.268 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001675417163 1198060990 /nfs/dbraw/zinc/06/09/90/1198060990.db2.gz CKTLDLQWPNJHRZ-MJGOQNOKSA-N 0 3 322.493 3.225 20 30 DGEDHN Cc1cccc([C@@H](C)N2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)c1 ZINC001675454873 1198068623 /nfs/dbraw/zinc/06/86/23/1198068623.db2.gz SFVOSWCTJQCJIT-VQIMIIECSA-N 0 3 324.468 3.296 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2ccncc2Cl)C1 ZINC001675752853 1198134274 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C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNCc2nc(C)cs2)C1 ZINC001676930777 1198438559 /nfs/dbraw/zinc/43/85/59/1198438559.db2.gz AJKBTJKVNCSHPI-LSDHHAIUSA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](C)Cc1ccccc1)C(C)C ZINC001677219127 1198493385 /nfs/dbraw/zinc/49/33/85/1198493385.db2.gz MUYFHJCDOHYWLO-QGZVFWFLSA-N 0 3 302.462 3.220 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C)cc1C)C(C)C ZINC001677219660 1198493594 /nfs/dbraw/zinc/49/35/94/1198493594.db2.gz YTSYBXUDYYQBPU-UHFFFAOYSA-N 0 3 300.446 3.109 20 30 DGEDHN C=CC[C@@H]1CCCN(C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001677328151 1198515691 /nfs/dbraw/zinc/51/56/91/1198515691.db2.gz WSOWKLFRTQYGIW-QGZVFWFLSA-N 0 3 315.461 3.116 20 30 DGEDHN C#CCCCC(=O)N(C)C1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001677393380 1198527460 /nfs/dbraw/zinc/52/74/60/1198527460.db2.gz JHIKSHJZYJEBPT-FHERZECASA-N 0 3 316.420 3.269 20 30 DGEDHN CN1CCCC[C@H]1CNC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001680246583 1198868492 /nfs/dbraw/zinc/86/84/92/1198868492.db2.gz STFIHLAOIDWTAP-INIZCTEOSA-N 0 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CC#CCNCCN(CC)C(=O)c1ccccc1-c1ccccc1 ZINC001754080198 1200097193 /nfs/dbraw/zinc/09/71/93/1200097193.db2.gz RKEBXISVABWIJL-UHFFFAOYSA-N 0 3 320.436 3.429 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)[C@H]1C ZINC001689340348 1200098548 /nfs/dbraw/zinc/09/85/48/1200098548.db2.gz NINKUHXMYJOPIP-SCTDSRPQSA-N 0 3 314.473 3.329 20 30 DGEDHN Cc1cc(Cl)ccc1CNC/C=C/CNC(=O)C#CC(C)C ZINC001754129625 1200109908 /nfs/dbraw/zinc/10/99/08/1200109908.db2.gz DYCYLBHARMYINO-SNAWJCMRSA-N 0 3 318.848 3.070 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001754148863 1200115161 /nfs/dbraw/zinc/11/51/61/1200115161.db2.gz BDXAAFDLOYTTTI-VOTSOKGWSA-N 0 3 310.441 3.243 20 30 DGEDHN C=CCC1(C(=O)NC/C=C\CNCc2ccc(C#N)cc2)CCC1 ZINC001754167130 1200121317 /nfs/dbraw/zinc/12/13/17/1200121317.db2.gz XMXAEPPTJYNISR-ARJAWSKDSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](c1cccnc1)C(C)C ZINC001754405244 1200255199 /nfs/dbraw/zinc/25/51/99/1200255199.db2.gz HXSCMDKCGVHFRX-INIZCTEOSA-N 0 3 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C=CCN1CCC(C)(NC(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC001754630779 1200407123 /nfs/dbraw/zinc/40/71/23/1200407123.db2.gz CGTABKTUDKWAJO-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C#CCNC[C@H](NC(=O)CC1(C)CC1)c1ccc2ccccc2c1 ZINC001754643574 1200411992 /nfs/dbraw/zinc/41/19/92/1200411992.db2.gz BZJJATZETSEMAU-IBGZPJMESA-N 0 3 320.436 3.410 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cccn2CC)CC1 ZINC001690138464 1200415367 /nfs/dbraw/zinc/41/53/67/1200415367.db2.gz DOOFNPGDBGSGMF-UHFFFAOYSA-N 0 3 317.477 3.401 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)[nH]c2C)CC1 ZINC001690136456 1200416081 /nfs/dbraw/zinc/41/60/81/1200416081.db2.gz MWKIENBHMGWVAR-UHFFFAOYSA-N 0 3 303.450 3.134 20 30 DGEDHN CC(C)(C)/C=C\C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001690144907 1200420750 /nfs/dbraw/zinc/42/07/50/1200420750.db2.gz IMAFWIOQQMHCKR-FNDLEWIFSA-N 0 3 324.468 3.125 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCCC(C)C)C2 ZINC001754661872 1200424425 /nfs/dbraw/zinc/42/44/25/1200424425.db2.gz NGKJGTLLOFHAKI-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCOCCN1CC[C@](C)(NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001754679968 1200439414 /nfs/dbraw/zinc/43/94/14/1200439414.db2.gz DOFAOXSLHBNRBB-LPHOPBHVSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CN(C)Cc2ccccn2)C1 ZINC001690191834 1200446803 /nfs/dbraw/zinc/44/68/03/1200446803.db2.gz BAGLMNZFHDLPPU-QGZVFWFLSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)cc1 ZINC001690208402 1200455397 /nfs/dbraw/zinc/45/53/97/1200455397.db2.gz IMQVGBWIATXWEJ-KDURUIRLSA-N 0 3 312.457 3.179 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001690291158 1200481803 /nfs/dbraw/zinc/48/18/03/1200481803.db2.gz NAPWENPQNFWBFA-SHTZXODSSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC001754735663 1200482269 /nfs/dbraw/zinc/48/22/69/1200482269.db2.gz HZBZWRRAZROMKD-LJQANCHMSA-N 0 3 316.445 3.022 20 30 DGEDHN C=CCN[C@@H](CNC(=O)CC1CCC1)c1ccccc1CC ZINC001754784872 1200487424 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C#CCCN(C)Cc1ccccc1CNC(=O)C1(CCC)CC1 ZINC001754946297 1200549442 /nfs/dbraw/zinc/54/94/42/1200549442.db2.gz DHPVWGORFWZVFM-UHFFFAOYSA-N 0 3 312.457 3.338 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001754953286 1200554879 /nfs/dbraw/zinc/55/48/79/1200554879.db2.gz IHBOCIDXOUOPDY-USHGBRTNSA-N 0 3 324.468 3.213 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CCCC3CCCCC3)C2)CC1 ZINC001754962899 1200561584 /nfs/dbraw/zinc/56/15/84/1200561584.db2.gz RQRYVGSGXMTUOO-UHFFFAOYSA-N 0 3 316.489 3.295 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CCC1 ZINC001754981902 1200568010 /nfs/dbraw/zinc/56/80/10/1200568010.db2.gz LONQYDOWWSAGFE-IYARVYRRSA-N 0 3 316.489 3.245 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCc1cccs1 ZINC001690460090 1200575133 /nfs/dbraw/zinc/57/51/33/1200575133.db2.gz ZFWZBJLNCLTHMX-HNNXBMFYSA-N 0 3 306.475 3.228 20 30 DGEDHN CC/C(C)=C/C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001690468567 1200579298 /nfs/dbraw/zinc/57/92/98/1200579298.db2.gz IZRRQMVZIHTNBH-BONDDZEJSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001755024807 1200584518 /nfs/dbraw/zinc/58/45/18/1200584518.db2.gz JBBODXKHZQSEJS-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001690500714 1200594159 /nfs/dbraw/zinc/59/41/59/1200594159.db2.gz BKXQIYVJIOCPFL-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001755031650 1200594886 /nfs/dbraw/zinc/59/48/86/1200594886.db2.gz XBXQDRVMEIDJPM-SJORKVTESA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001690500712 1200595302 /nfs/dbraw/zinc/59/53/02/1200595302.db2.gz BKXQIYVJIOCPFL-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C\CC)C1 ZINC001755046452 1200618388 /nfs/dbraw/zinc/61/83/88/1200618388.db2.gz CTEIMOAIJYLMRI-FHMFCWSGSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CC(C)C)CCC1)C2 ZINC001755079220 1200633590 /nfs/dbraw/zinc/63/35/90/1200633590.db2.gz YXXYHORJUKWHIL-LJQANCHMSA-N 0 3 316.489 3.151 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H]1CCCC1(C)C)NCc1ccc(C#N)s1 ZINC001690612180 1200646896 /nfs/dbraw/zinc/64/68/96/1200646896.db2.gz HHOJUPLHNNEHDJ-WFASDCNBSA-N 0 3 319.474 3.040 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CC(C)C)CCCC2)C[C@@H]1C ZINC001755167644 1200673946 /nfs/dbraw/zinc/67/39/46/1200673946.db2.gz RENLIOMOXRFOKL-IRXDYDNUSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CC1(C)CC1 ZINC001755172040 1200678316 /nfs/dbraw/zinc/67/83/16/1200678316.db2.gz IXXZLEUABLJIPE-GOSISDBHSA-N 0 3 312.457 3.468 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC001755191740 1200689032 /nfs/dbraw/zinc/68/90/32/1200689032.db2.gz RGNQHUPMBRYRTM-GOSISDBHSA-N 0 3 316.420 3.052 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(c2ccccc2)CCC1 ZINC001755194070 1200691765 /nfs/dbraw/zinc/69/17/65/1200691765.db2.gz MFXSGOWIFCJAQB-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccccc1C1(C)CC1 ZINC001755198505 1200696244 /nfs/dbraw/zinc/69/62/44/1200696244.db2.gz BEGLNHJPZYESAG-MRXNPFEDSA-N 0 3 312.457 3.461 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2ncccc21 ZINC001690856604 1200752171 /nfs/dbraw/zinc/75/21/71/1200752171.db2.gz RZZXGXXRKBPFCD-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1oc2ccc(F)cc2c1C ZINC001755301696 1200782789 /nfs/dbraw/zinc/78/27/89/1200782789.db2.gz QOXNNKKSIVQOLB-NSHDSACASA-N 0 3 304.365 3.116 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001755318760 1200806912 /nfs/dbraw/zinc/80/69/12/1200806912.db2.gz NGOHNYOOQFVEMX-AWEZNQCLSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC001691799995 1200812073 /nfs/dbraw/zinc/81/20/73/1200812073.db2.gz FFTMLYNHEHVRCD-YJBOKZPZSA-N 0 3 300.446 3.446 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2sccc2F)C1 ZINC001691849518 1200834986 /nfs/dbraw/zinc/83/49/86/1200834986.db2.gz RAYHVPHOVWRXSS-CYBMUJFWSA-N 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/nfs/dbraw/zinc/92/79/60/1200927960.db2.gz JEUISIKXQOANRF-KGLIPLIRSA-N 0 3 300.874 3.440 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C[C@H](C)OC)C2)CCCCC1 ZINC001692112115 1200932223 /nfs/dbraw/zinc/93/22/23/1200932223.db2.gz OYYNPUZFCDQVQQ-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCCc2ccc(Cl)cc2)[C@H]1C ZINC001692179584 1200959442 /nfs/dbraw/zinc/95/94/42/1200959442.db2.gz YVFYOKKPXSULIF-PBHICJAKSA-N 0 3 320.864 3.428 20 30 DGEDHN C[C@@H](CN(C)C(=O)CC1CCCC1)NCC#Cc1ccccc1 ZINC001755575847 1200964184 /nfs/dbraw/zinc/96/41/84/1200964184.db2.gz MEKXSTYPJFULJR-KRWDZBQOSA-N 0 3 312.457 3.055 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001755600629 1200979935 /nfs/dbraw/zinc/97/99/35/1200979935.db2.gz RAUUWUYKQWYYAL-CYBMUJFWSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001755600627 1200980196 /nfs/dbraw/zinc/98/01/96/1200980196.db2.gz QVRSMYUYGIXSMU-KRWDZBQOSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccccc1CC ZINC001692257561 1200991186 /nfs/dbraw/zinc/99/11/86/1200991186.db2.gz IPSWROPEKFQEGE-KRWDZBQOSA-N 0 3 300.446 3.362 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)CCC2CCCC2)CC(C)(C)C1 ZINC001692272494 1200997433 /nfs/dbraw/zinc/99/74/33/1200997433.db2.gz JJDPLTOMILALJK-KRWDZBQOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CSCCC)C1 ZINC001692313341 1201012723 /nfs/dbraw/zinc/01/27/23/1201012723.db2.gz NMCDFUMAQWVEKH-CQSZACIVSA-N 0 3 318.914 3.243 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001755694149 1201021149 /nfs/dbraw/zinc/02/11/49/1201021149.db2.gz UHIHNIMMTQFVDT-GUYCJALGSA-N 0 3 323.440 3.001 20 30 DGEDHN CC(C)=CC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001755695349 1201023583 /nfs/dbraw/zinc/02/35/83/1201023583.db2.gz SXJBRXKTTLAQKO-AZUAARDMSA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C(CC(C)C)CC(C)C)CCC[C@@H]12 ZINC001755703994 1201027541 /nfs/dbraw/zinc/02/75/41/1201027541.db2.gz GIKFCYPFFHPYOJ-UYAOXDASSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cncs2)[C@@H]1C ZINC001755713802 1201034137 /nfs/dbraw/zinc/03/41/37/1201034137.db2.gz DKUSNXPMMWADBG-LSDHHAIUSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCC2 ZINC001692376146 1201042811 /nfs/dbraw/zinc/04/28/11/1201042811.db2.gz FHYVBDBXRPESQP-YESZJQIVSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C(C)C ZINC001692380231 1201047333 /nfs/dbraw/zinc/04/73/33/1201047333.db2.gz MGVRBHCZSURDLI-ILXRZTDVSA-N 0 3 317.433 3.051 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1 ZINC001692382523 1201047685 /nfs/dbraw/zinc/04/76/85/1201047685.db2.gz RIQIEAQUDJEFEY-ROUUACIJSA-N 0 3 312.457 3.216 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCCC1(F)F)C(C)C ZINC001755813857 1201076501 /nfs/dbraw/zinc/07/65/01/1201076501.db2.gz GYELLEDYSQTHFA-HNNXBMFYSA-N 0 3 314.420 3.004 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CC[C@H](C2CC2)O1)C(C)C ZINC001755814244 1201079733 /nfs/dbraw/zinc/07/97/33/1201079733.db2.gz URLZIZBALIIBDK-QZTJIDSGSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001755818467 1201085363 /nfs/dbraw/zinc/08/53/63/1201085363.db2.gz MVYJNXNZLXNVOU-PBHICJAKSA-N 0 3 318.461 3.481 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001755846326 1201103873 /nfs/dbraw/zinc/10/38/73/1201103873.db2.gz VGGLJIICRCYLAQ-SJORKVTESA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCN1CCC(C2(NC(=O)[C@@H](C)c3ccccc3C)CC2)CC1 ZINC001755869623 1201116399 /nfs/dbraw/zinc/11/63/99/1201116399.db2.gz LYZMVYOASJVKJN-KRWDZBQOSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC001755888813 1201120863 /nfs/dbraw/zinc/12/08/63/1201120863.db2.gz MNLXEBGUDKDHAP-ARJAWSKDSA-N 0 3 314.404 3.163 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001698554262 1201223657 /nfs/dbraw/zinc/22/36/57/1201223657.db2.gz PZUGIEBJFAYDSY-OAHLLOKOSA-N 0 3 319.449 3.096 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001698554063 1201224973 /nfs/dbraw/zinc/22/49/73/1201224973.db2.gz RGJZRRHDPBBAIY-HUUCEWRRSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2cccc(C)c2)C1 ZINC001698567862 1201237488 /nfs/dbraw/zinc/23/74/88/1201237488.db2.gz CBQXJBRRWAQOJQ-SFHVURJKSA-N 0 3 300.446 3.036 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001698578600 1201253255 /nfs/dbraw/zinc/25/32/55/1201253255.db2.gz WCDJQHBKEGDHSC-YJBOKZPZSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001698587374 1201261758 /nfs/dbraw/zinc/26/17/58/1201261758.db2.gz NXHRLBAJHZYJPX-ZDUSSCGKSA-N 0 3 320.399 3.464 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccc(C)cc2)C1 ZINC001698587048 1201262136 /nfs/dbraw/zinc/26/21/36/1201262136.db2.gz YLJNFHAZXBXQBB-LJQANCHMSA-N 0 3 314.473 3.427 20 30 DGEDHN CC/C=C(/C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001698595085 1201268528 /nfs/dbraw/zinc/26/85/28/1201268528.db2.gz KAJVSZJVVDFCHW-ORDXOSSNSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)cs2)CCCC1 ZINC001698628936 1201297316 /nfs/dbraw/zinc/29/73/16/1201297316.db2.gz JCEYCOBQMGYAGA-UHFFFAOYSA-N 0 3 312.866 3.441 20 30 DGEDHN CCCC(=O)N1CCC[C@@H](CCNCc2ccccc2C#N)C1 ZINC001698662086 1201324348 /nfs/dbraw/zinc/32/43/48/1201324348.db2.gz ONJBCWIDDPHISA-INIZCTEOSA-N 0 3 313.445 3.077 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001698719549 1201359145 /nfs/dbraw/zinc/35/91/45/1201359145.db2.gz SNFIQYXXKDRZHG-HOTGVXAUSA-N 0 3 312.457 3.098 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001698719550 1201359432 /nfs/dbraw/zinc/35/94/32/1201359432.db2.gz SNFIQYXXKDRZHG-HZPDHXFCSA-N 0 3 312.457 3.098 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccns2)CCCC1 ZINC001698801268 1201431655 /nfs/dbraw/zinc/43/16/55/1201431655.db2.gz KSVZZELBIYRWIN-INIZCTEOSA-N 0 3 321.490 3.264 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC23CCCC3)CCCC1 ZINC001698805846 1201436899 /nfs/dbraw/zinc/43/68/99/1201436899.db2.gz ACGQZSVKASHISH-AWEZNQCLSA-N 0 3 310.869 3.338 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001698817699 1201461877 /nfs/dbraw/zinc/46/18/77/1201461877.db2.gz XYZFRLQFCCMDLA-KGLIPLIRSA-N 0 3 321.490 3.383 20 30 DGEDHN CC(C)C#CC(=O)N(C)[C@@H](C)CNCc1cc2ccccc2o1 ZINC001698819954 1201464951 /nfs/dbraw/zinc/46/49/51/1201464951.db2.gz APTYVALLMLJNEU-HNNXBMFYSA-N 0 3 312.413 3.029 20 30 DGEDHN CC[C@@H](C)C(=O)N[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC001698868858 1201527792 /nfs/dbraw/zinc/52/77/92/1201527792.db2.gz BZZMBHQSRJDNDP-IEBWSBKVSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC001698905661 1201566437 /nfs/dbraw/zinc/56/64/37/1201566437.db2.gz RBRFOTXYSSLBMC-DVFVSVACSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ncccc1C ZINC001698911025 1201570201 /nfs/dbraw/zinc/57/02/01/1201570201.db2.gz ZOBPXHPYOCRJGX-OAHLLOKOSA-N 0 3 321.852 3.117 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cc(C)ccc1C)C(C)C ZINC001698971799 1201628125 /nfs/dbraw/zinc/62/81/25/1201628125.db2.gz KWHICFHHOSQRGT-KRWDZBQOSA-N 0 3 322.880 3.329 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)c1ccsc1)C(C)C ZINC001698972918 1201628471 /nfs/dbraw/zinc/62/84/71/1201628471.db2.gz OYELEMUUUCPBRY-GXTWGEPZSA-N 0 3 314.882 3.335 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001699000174 1201669116 /nfs/dbraw/zinc/66/91/16/1201669116.db2.gz ZZOLEUWPKGIOCV-MRXNPFEDSA-N 0 3 302.462 3.319 20 30 DGEDHN CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ccccc1C#N ZINC001699023404 1201690296 /nfs/dbraw/zinc/69/02/96/1201690296.db2.gz ZKKQJJXEDOXMNZ-ZWKOTPCHSA-N 0 3 313.445 3.123 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2)[C@H]1C ZINC001750934084 1201730363 /nfs/dbraw/zinc/73/03/63/1201730363.db2.gz VINOOSJUUVFYQZ-JZXOWHBKSA-N 0 3 300.446 3.335 20 30 DGEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C1CCCCC1 ZINC001699167498 1201736880 /nfs/dbraw/zinc/73/68/80/1201736880.db2.gz YIEOMSIMTOXHBG-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cncc(F)c2)CC1 ZINC001752433392 1201836911 /nfs/dbraw/zinc/83/69/11/1201836911.db2.gz IMJREMSHYAHALR-UHFFFAOYSA-N 0 3 319.424 3.113 20 30 DGEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC1(C)C ZINC001699418456 1201853402 /nfs/dbraw/zinc/85/34/02/1201853402.db2.gz VEYIJSCSBOIOEJ-WFASDCNBSA-N 0 3 319.474 3.040 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC001752498024 1201857434 /nfs/dbraw/zinc/85/74/34/1201857434.db2.gz RFFMIIDPFGTXRI-IBGZPJMESA-N 0 3 324.468 3.009 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001699441754 1201879122 /nfs/dbraw/zinc/87/91/22/1201879122.db2.gz CXJOBHLQFGAYQP-INIZCTEOSA-N 0 3 318.436 3.264 20 30 DGEDHN CC(C)CCCC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001699460405 1201896803 /nfs/dbraw/zinc/89/68/03/1201896803.db2.gz NIIXZHVRVWSGNV-MRXNPFEDSA-N 0 3 315.461 3.321 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1cccc(C)c1 ZINC001699462255 1201898470 /nfs/dbraw/zinc/89/84/70/1201898470.db2.gz RPQLKRHNHRGFKJ-QGZVFWFLSA-N 0 3 300.446 3.125 20 30 DGEDHN CCCC[C@@H](C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001752723048 1201901395 /nfs/dbraw/zinc/90/13/95/1201901395.db2.gz CZRWXLVZMJYBAP-QRQLOZEOSA-N 0 3 312.457 3.101 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2oc(C(C)C)nc2C)C1 ZINC001752752923 1201906026 /nfs/dbraw/zinc/90/60/26/1201906026.db2.gz JVEDEOGSQJRCRO-OKILXGFUSA-N 0 3 319.449 3.055 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001752835075 1201960180 /nfs/dbraw/zinc/96/01/80/1201960180.db2.gz AXPFJFFCPBHZNM-IRXDYDNUSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001752877231 1201989537 /nfs/dbraw/zinc/98/95/37/1201989537.db2.gz PLWQKHSLMWBAQO-STQMWFEESA-N 0 3 310.388 3.476 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001699627064 1201990111 /nfs/dbraw/zinc/99/01/11/1201990111.db2.gz FMKZBJLNXGRNSP-INIZCTEOSA-N 0 3 322.399 3.323 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001699636372 1202002098 /nfs/dbraw/zinc/00/20/98/1202002098.db2.gz BREIYGVFWOQSDE-HNNXBMFYSA-N 0 3 322.836 3.119 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001699638581 1202004947 /nfs/dbraw/zinc/00/49/47/1202004947.db2.gz LWIKHPYWQFJSQE-SJORKVTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001699639808 1202007218 /nfs/dbraw/zinc/00/72/18/1202007218.db2.gz GXSANDWWEVPMTE-KRWDZBQOSA-N 0 3 323.440 3.452 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001699643590 1202009148 /nfs/dbraw/zinc/00/91/48/1202009148.db2.gz ZMFYRXUQQFOYDW-YOEHRIQHSA-N 0 3 304.409 3.315 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2nc(C)c(C)s2)C1 ZINC001752939412 1202017306 /nfs/dbraw/zinc/01/73/06/1202017306.db2.gz ZCRNGIYHTKEJHX-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001699659146 1202018850 /nfs/dbraw/zinc/01/88/50/1202018850.db2.gz MSVCMZTYPNOPFJ-UHFFFAOYSA-N 0 3 304.409 3.107 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001699703714 1202042810 /nfs/dbraw/zinc/04/28/10/1202042810.db2.gz NNBPHUQNFSSDAK-IBGZPJMESA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C2CC2)nc1C ZINC001753014434 1202059677 /nfs/dbraw/zinc/05/96/77/1202059677.db2.gz JYXJBEMSGMIFIW-GFCCVEGCSA-N 0 3 321.852 3.118 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(F)cccc1Cl ZINC001753016287 1202060544 /nfs/dbraw/zinc/06/05/44/1202060544.db2.gz CTCDZHMZGCJDIK-SNVBAGLBSA-N 0 3 319.207 3.330 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2csc(C)n2)C[C@@H]1C ZINC001699739257 1202060671 /nfs/dbraw/zinc/06/06/71/1202060671.db2.gz SXINYABEFQPXBM-ZFWWWQNUSA-N 0 3 321.490 3.277 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2cnccc21 ZINC001753019991 1202063407 /nfs/dbraw/zinc/06/34/07/1202063407.db2.gz YJUYRDMOQXASBO-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN CCC(C)(CC)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001753020066 1202063631 /nfs/dbraw/zinc/06/36/31/1202063631.db2.gz AQTRKUAVYCNEBI-HNNXBMFYSA-N 0 3 315.461 3.369 20 30 DGEDHN C#CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)C1CCN(CC(=C)C)CC1 ZINC001699785331 1202077466 /nfs/dbraw/zinc/07/74/66/1202077466.db2.gz LHBOKUFWYSYBMM-UYAOXDASSA-N 0 3 316.489 3.171 20 30 DGEDHN CC(C)C#CC(=O)NCCN(C)CCc1ccc2ccccc2c1 ZINC001753048637 1202082504 /nfs/dbraw/zinc/08/25/04/1202082504.db2.gz ZRAVFNRYNWSZGN-UHFFFAOYSA-N 0 3 322.452 3.090 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)CCC)C2 ZINC001699805261 1202085962 /nfs/dbraw/zinc/08/59/62/1202085962.db2.gz PGELWUBELZAQAG-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCC(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001753060999 1202090639 /nfs/dbraw/zinc/09/06/39/1202090639.db2.gz JPZGVWUNEHRNAB-UHFFFAOYSA-N 0 3 300.446 3.080 20 30 DGEDHN Cc1cccc(CN2CC[C@@](C)(NC(=O)C#CC(C)(C)C)C2)c1 ZINC001699814802 1202094487 /nfs/dbraw/zinc/09/44/87/1202094487.db2.gz GEZWKFZNFGQBDH-HXUWFJFHSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001699818033 1202094617 /nfs/dbraw/zinc/09/46/17/1202094617.db2.gz BYYPCTZHDOEUCN-FZKQIMNGSA-N 0 3 322.399 3.225 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)[C@H]1CCc2c1cccc2F ZINC001753089033 1202119263 /nfs/dbraw/zinc/11/92/63/1202119263.db2.gz ARSVPLVSMRSAJB-KRWDZBQOSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001699876395 1202132990 /nfs/dbraw/zinc/13/29/90/1202132990.db2.gz FOVKVTZXYSIGMQ-VQIMIIECSA-N 0 3 300.446 3.194 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001699888909 1202136162 /nfs/dbraw/zinc/13/61/62/1202136162.db2.gz VJMUFDDSGJIAQT-KGLIPLIRSA-N 0 3 302.409 3.071 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC[C@H](C)CC)C2)CC1 ZINC001699930976 1202139392 /nfs/dbraw/zinc/13/93/92/1202139392.db2.gz BQGWXKXFTPTXPC-IEBWSBKVSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](CCC)c1ccccn1 ZINC001753110300 1202140875 /nfs/dbraw/zinc/14/08/75/1202140875.db2.gz KQBALLJOSRWVGU-SJORKVTESA-N 0 3 315.461 3.122 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](CC)Cc1ccccc1 ZINC001753113530 1202143772 /nfs/dbraw/zinc/14/37/72/1202143772.db2.gz PMKIZMUVVMOKQD-ZWKOTPCHSA-N 0 3 300.446 3.022 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001753149646 1202167417 /nfs/dbraw/zinc/16/74/17/1202167417.db2.gz JSILFCXVSXNCEU-UHFFFAOYSA-N 0 3 316.489 3.054 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1ccc2cc(C)cn2c1)C1CC1 ZINC001753155562 1202172899 /nfs/dbraw/zinc/17/28/99/1202172899.db2.gz DQGQJZOVFSTEPM-UHFFFAOYSA-N 0 3 311.429 3.018 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1nccc2ccccc21)C1CC1 ZINC001753159194 1202174366 /nfs/dbraw/zinc/17/43/66/1202174366.db2.gz GOAMKMMNVJNAID-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1(C(C)(F)F)CC1 ZINC001700091340 1202177001 /nfs/dbraw/zinc/17/70/01/1202177001.db2.gz MZZVJIFRAOZGAS-UHFFFAOYSA-N 0 3 322.399 3.356 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCCC2(C)C)cc1 ZINC001700095186 1202179300 /nfs/dbraw/zinc/17/93/00/1202179300.db2.gz UFPLLFINOPBZKC-CRAIPNDOSA-N 0 3 312.457 3.413 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2coc(C)c2)cc1 ZINC001700096219 1202179724 /nfs/dbraw/zinc/17/97/24/1202179724.db2.gz PCEBECDYKIZSRX-OAHLLOKOSA-N 0 3 310.397 3.192 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001700100205 1202181288 /nfs/dbraw/zinc/18/12/88/1202181288.db2.gz UFIZWHMETZFSFU-RYGJVYDSSA-N 0 3 324.468 3.413 20 30 DGEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001753314750 1202205502 /nfs/dbraw/zinc/20/55/02/1202205502.db2.gz LMMBSPHWQALRBN-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC#CCCCC(=O)N(CCC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001753318218 1202207875 /nfs/dbraw/zinc/20/78/75/1202207875.db2.gz FOHSDBBSTLPJIM-GOSISDBHSA-N 0 3 304.478 3.459 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1CC(C)C ZINC001700225617 1202214436 /nfs/dbraw/zinc/21/44/36/1202214436.db2.gz DCAXAGOZIBLQCW-SFHVURJKSA-N 0 3 314.473 3.398 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CCCC)C(C)C)C2 ZINC001700229187 1202216390 /nfs/dbraw/zinc/21/63/90/1202216390.db2.gz ILMZMWWILYNKJB-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3ccc[nH]3)cc2C1 ZINC001700251855 1202217481 /nfs/dbraw/zinc/21/74/81/1202217481.db2.gz WPPIGRBPCQIJQM-UHFFFAOYSA-N 0 3 309.413 3.227 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)C#CC(C)C)cc2C1 ZINC001700253427 1202218114 /nfs/dbraw/zinc/21/81/14/1202218114.db2.gz CVLVDHZMMSTIIX-UHFFFAOYSA-N 0 3 310.441 3.244 20 30 DGEDHN CC#CCCCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001753364790 1202230929 /nfs/dbraw/zinc/23/09/29/1202230929.db2.gz OJSSIJSZULXZCI-XFFZJAGNSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001700315059 1202233443 /nfs/dbraw/zinc/23/34/43/1202233443.db2.gz BWYACFOHHYPVST-HIFRSBDPSA-N 0 3 306.475 3.429 20 30 DGEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H](CC)CCC)CC2)C1 ZINC001700331606 1202239742 /nfs/dbraw/zinc/23/97/42/1202239742.db2.gz AYFLEAGIQOVMTO-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001700348366 1202243646 /nfs/dbraw/zinc/24/36/46/1202243646.db2.gz PXPSVZFJKIUWTD-HHCQHNAWSA-N 0 3 310.441 3.457 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C/C=C/c1ccc(C)cc1 ZINC001753427340 1202250800 /nfs/dbraw/zinc/25/08/00/1202250800.db2.gz GKSHGYWKEHULRY-WLMAVBAVSA-N 0 3 310.441 3.260 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC001753433114 1202252747 /nfs/dbraw/zinc/25/27/47/1202252747.db2.gz BYCBGRBCENNICD-QWHCGFSZSA-N 0 3 319.276 3.069 20 30 DGEDHN C=CC(C)(C)C(=O)NC1CC(CNCc2cccc(F)c2F)C1 ZINC001700376447 1202254519 /nfs/dbraw/zinc/25/45/19/1202254519.db2.gz NQMFVVDYODTJEI-UHFFFAOYSA-N 0 3 322.399 3.161 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](C)C2CCCCC2)C1 ZINC001753444893 1202256462 /nfs/dbraw/zinc/25/64/62/1202256462.db2.gz ARYFAYXPZFQJGB-FUHWJXTLSA-N 0 3 304.478 3.149 20 30 DGEDHN Cc1ccccc1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001700387253 1202258343 /nfs/dbraw/zinc/25/83/43/1202258343.db2.gz XUBPSFLTIYPYSB-MSOLQXFVSA-N 0 3 320.436 3.143 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1scnc1C ZINC001700399330 1202262371 /nfs/dbraw/zinc/26/23/71/1202262371.db2.gz CWQNXMPBRGDTLT-NEPJUHHUSA-N 0 3 309.479 3.037 20 30 DGEDHN CCC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001700399625 1202262529 /nfs/dbraw/zinc/26/25/29/1202262529.db2.gz FTIIBSHVDPTTQW-SJORKVTESA-N 0 3 314.473 3.347 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001700403499 1202263686 /nfs/dbraw/zinc/26/36/86/1202263686.db2.gz YNIGTXXAUYLYPE-STQMWFEESA-N 0 3 309.841 3.074 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCCC1CC1 ZINC001700413121 1202266020 /nfs/dbraw/zinc/26/60/20/1202266020.db2.gz JIGOODUKFRZOKK-SJORKVTESA-N 0 3 312.457 3.101 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC001753466748 1202266368 /nfs/dbraw/zinc/26/63/68/1202266368.db2.gz NFDQRMQKOUXZIZ-HNNXBMFYSA-N 0 3 319.424 3.118 20 30 DGEDHN CC[C@@H](CNC(=O)CCC(C)C)NCc1ccc(C#N)s1 ZINC001753465395 1202266542 /nfs/dbraw/zinc/26/65/42/1202266542.db2.gz ZLDYFVBDYGUKKS-ZDUSSCGKSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC001753544130 1202287184 /nfs/dbraw/zinc/28/71/84/1202287184.db2.gz OLYQHRYBIRSLJC-KBPBESRZSA-N 0 3 318.914 3.099 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001700418146 1202267327 /nfs/dbraw/zinc/26/73/27/1202267327.db2.gz RCRGBQMOOYUSLM-DLBZAZTESA-N 0 3 312.457 3.123 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2ccnc(Cl)c2)C1 ZINC001700420068 1202267923 /nfs/dbraw/zinc/26/79/23/1202267923.db2.gz OCRHDYGURYHUEP-QWHCGFSZSA-N 0 3 321.852 3.074 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001753487520 1202272504 /nfs/dbraw/zinc/27/25/04/1202272504.db2.gz HURABJMNAAEDAT-ZDUSSCGKSA-N 0 3 319.474 3.206 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)C(F)(F)F ZINC001700444106 1202274197 /nfs/dbraw/zinc/27/41/97/1202274197.db2.gz GRRKQEFBFCRPFB-SNVBAGLBSA-N 0 3 314.779 3.012 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CCCC1 ZINC001753511996 1202279929 /nfs/dbraw/zinc/27/99/29/1202279929.db2.gz QMWFFPRZZOMCTG-GUWHFVFCSA-N 0 3 322.880 3.050 20 30 DGEDHN CCC(CC)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001700480252 1202291071 /nfs/dbraw/zinc/29/10/71/1202291071.db2.gz FNVDHOSDDSRRGM-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2c(C)cc(C)cc2C)cc1 ZINC001753592440 1202295531 /nfs/dbraw/zinc/29/55/31/1202295531.db2.gz NIRCMWBQAUCTFD-UHFFFAOYSA-N 0 3 320.436 3.265 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNCc2c(F)cccc2F)C1 ZINC001753631287 1202302770 /nfs/dbraw/zinc/30/27/70/1202302770.db2.gz WBSBEZUNFYIRFX-ZDUSSCGKSA-N 0 3 322.399 3.163 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CC1(C)CCCCC1 ZINC001700529303 1202306362 /nfs/dbraw/zinc/30/63/62/1202306362.db2.gz SKLTXDJPUZMBEX-QGZVFWFLSA-N 0 3 304.478 3.341 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCCc2cccs2)C1 ZINC001700551933 1202311996 /nfs/dbraw/zinc/31/19/96/1202311996.db2.gz WVHKHGUYZLEDOV-AWEZNQCLSA-N 0 3 306.475 3.083 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001700564278 1202313591 /nfs/dbraw/zinc/31/35/91/1202313591.db2.gz UHGLBZOPFJZMDF-QFBILLFUSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001700578383 1202318770 /nfs/dbraw/zinc/31/87/70/1202318770.db2.gz OECQQTYKQHFELR-HZPDHXFCSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)C(C)(C)C1 ZINC001700579300 1202319143 /nfs/dbraw/zinc/31/91/43/1202319143.db2.gz VLEUBOFFWUXRBY-GFCCVEGCSA-N 0 3 302.409 3.071 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1ccccn1)CC(C)C ZINC001753738743 1202325315 /nfs/dbraw/zinc/32/53/15/1202325315.db2.gz OHZIJWNJTXFAPO-QGZVFWFLSA-N 0 3 317.477 3.304 20 30 DGEDHN CCCCC(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC001753824836 1202341728 /nfs/dbraw/zinc/34/17/28/1202341728.db2.gz QGUVOVDLYCIJCU-SFHVURJKSA-N 0 3 318.436 3.098 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(F)c(F)c1)C(C)C ZINC001753829684 1202343408 /nfs/dbraw/zinc/34/34/08/1202343408.db2.gz BEFOORFYQSFMNH-CQSZACIVSA-N 0 3 316.779 3.061 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001700767014 1202351152 /nfs/dbraw/zinc/35/11/52/1202351152.db2.gz JEUYAHDOVIZVGY-CXAGYDPISA-N 0 3 319.474 3.159 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001700767019 1202351198 /nfs/dbraw/zinc/35/11/98/1202351198.db2.gz JEUYAHDOVIZVGY-SUMWQHHRSA-N 0 3 319.474 3.159 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001700771024 1202352335 /nfs/dbraw/zinc/35/23/35/1202352335.db2.gz SDNGWRLCKFUUIP-ROUUACIJSA-N 0 3 314.473 3.339 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001700857503 1202359996 /nfs/dbraw/zinc/35/99/96/1202359996.db2.gz DNUUPRCEJDUSCH-GXTWGEPZSA-N 0 3 304.356 3.018 20 30 DGEDHN C/C=C(/C)C(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700861729 1202361024 /nfs/dbraw/zinc/36/10/24/1202361024.db2.gz WZRDNEWBQMNELB-KYCYQETNSA-N 0 3 323.440 3.138 20 30 DGEDHN C/C=C(/C)C(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001700861732 1202361054 /nfs/dbraw/zinc/36/10/54/1202361054.db2.gz WZRDNEWBQMNELB-YPAHQVEXSA-N 0 3 323.440 3.138 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cnco2)[C@H]1C ZINC001700882508 1202365162 /nfs/dbraw/zinc/36/51/62/1202365162.db2.gz SYFGOBPGGFGCKL-CABCVRRESA-N 0 3 305.422 3.004 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2cccc(C)c2)[C@H]1C ZINC001700883486 1202365658 /nfs/dbraw/zinc/36/56/58/1202365658.db2.gz ZBDTVUVFIJSTKQ-SJLPKXTDSA-N 0 3 300.446 3.083 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNCc2nccs2)C1 ZINC001700891952 1202366734 /nfs/dbraw/zinc/36/67/34/1202366734.db2.gz NUMDRBWJBDVPAG-UONOGXRCSA-N 0 3 321.490 3.120 20 30 DGEDHN CC/C=C(\C)C(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001700911806 1202369136 /nfs/dbraw/zinc/36/91/36/1202369136.db2.gz KPWCHFKEPUZLRG-RPXHZFJKSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2c(C)nsc2C)C(C)(C)C1 ZINC001700910881 1202369197 /nfs/dbraw/zinc/36/91/97/1202369197.db2.gz FVKZFCFETRINJW-HNNXBMFYSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1 ZINC001700942130 1202371734 /nfs/dbraw/zinc/37/17/34/1202371734.db2.gz KCCVPVYJGAZKDE-RDJZCZTQSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCCCC(=O)N[C@@H](CNCc1c(C)noc1C)C(C)(C)C ZINC001700999609 1202379142 /nfs/dbraw/zinc/37/91/42/1202379142.db2.gz YUSHSTYJWMBMIG-INIZCTEOSA-N 0 3 321.465 3.268 20 30 DGEDHN C=CCCCC(=O)N[C@H](CNCc1c(C)noc1C)C(C)(C)C ZINC001700999610 1202379161 /nfs/dbraw/zinc/37/91/61/1202379161.db2.gz YUSHSTYJWMBMIG-MRXNPFEDSA-N 0 3 321.465 3.268 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(CC)CCCC2)CC1 ZINC001701011948 1202380927 /nfs/dbraw/zinc/38/09/27/1202380927.db2.gz XKGLXPPPEBOAOS-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1CCC ZINC001707049999 1202569398 /nfs/dbraw/zinc/56/93/98/1202569398.db2.gz BWQXSNRLZMUFSC-HNNXBMFYSA-N 0 3 304.434 3.345 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001707061060 1202570808 /nfs/dbraw/zinc/57/08/08/1202570808.db2.gz JOXHFEMMXYJNKP-TXEJJXNPSA-N 0 3 312.866 3.352 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001707075726 1202571776 /nfs/dbraw/zinc/57/17/76/1202571776.db2.gz STQCQNPBZLWRPV-MIGQKNRLSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001707078406 1202572090 /nfs/dbraw/zinc/57/20/90/1202572090.db2.gz VOIIDICZIOBWHT-OFQRWUPVSA-N 0 3 306.837 3.027 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCCCCC)C(C)(C)[C@H]21 ZINC001707188431 1202575897 /nfs/dbraw/zinc/57/58/97/1202575897.db2.gz RDRIAAHIYDJGHL-NJAFHUGGSA-N 0 3 304.478 3.195 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)[C@H]1C ZINC001707268979 1202579600 /nfs/dbraw/zinc/57/96/00/1202579600.db2.gz NBTAADWIFHCWPE-RKVPGOIHSA-N 0 3 318.436 3.474 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc2ncccc21 ZINC001707271534 1202579680 /nfs/dbraw/zinc/57/96/80/1202579680.db2.gz HNGVGTGPMBOFDG-INIZCTEOSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001707274282 1202580077 /nfs/dbraw/zinc/58/00/77/1202580077.db2.gz WHNVVURORXJGMS-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001707437417 1202584803 /nfs/dbraw/zinc/58/48/03/1202584803.db2.gz HOWSMGNCPLBWDF-ZIAGYGMSSA-N 0 3 316.848 3.238 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2ncccc2C)C1 ZINC001707459523 1202586348 /nfs/dbraw/zinc/58/63/48/1202586348.db2.gz AELZPUFLKZQXSD-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN CC#CCN(C)CCCNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001712970748 1202607343 /nfs/dbraw/zinc/60/73/43/1202607343.db2.gz KRDPJZAIZQKBQX-KRWDZBQOSA-N 0 3 314.473 3.204 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc2sccc2s1)C1CC1 ZINC001713038578 1202611895 /nfs/dbraw/zinc/61/18/95/1202611895.db2.gz JBVXBIDXYQMHBY-UHFFFAOYSA-N 0 3 318.467 3.180 20 30 DGEDHN C#CCN(CCCNC(=O)[C@H](C)CC1CCCCC1)C1CC1 ZINC001713046079 1202612455 /nfs/dbraw/zinc/61/24/55/1202612455.db2.gz RJOQJKHZNSFOJV-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCC1(C(=O)N(C)C2CCN(CC=C)CC2)CCCCC1 ZINC001713058000 1202613473 /nfs/dbraw/zinc/61/34/73/1202613473.db2.gz LGLXVYVZLJAFRB-UHFFFAOYSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)CCCCC)CC1 ZINC001713097504 1202616678 /nfs/dbraw/zinc/61/66/78/1202616678.db2.gz UKGPGFHMGGDSGF-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001713099426 1202616797 /nfs/dbraw/zinc/61/67/97/1202616797.db2.gz PNCTZAPZOMFACH-PIIMJCKOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1ccnc(Cl)c1)C1CC1 ZINC001713111313 1202618235 /nfs/dbraw/zinc/61/82/35/1202618235.db2.gz NTECKIXXBADQND-OAHLLOKOSA-N 0 3 321.852 3.076 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001713128468 1202619887 /nfs/dbraw/zinc/61/98/87/1202619887.db2.gz OGLGLJKUZBBNFD-HXUWFJFHSA-N 0 3 324.468 3.175 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713168070 1202623617 /nfs/dbraw/zinc/62/36/17/1202623617.db2.gz VHDKNBWJSBRINN-WTGUMLROSA-N 0 3 324.468 3.101 20 30 DGEDHN CC[C@H](N[C@@H](C)CNC(=O)C#CC(C)C)c1ccc(F)cc1F ZINC001713308839 1202638124 /nfs/dbraw/zinc/63/81/24/1202638124.db2.gz PWDIDFUNXTVUIM-GUYCJALGSA-N 0 3 322.399 3.170 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC001713369315 1202642385 /nfs/dbraw/zinc/64/23/85/1202642385.db2.gz PSVOZKYDVVADBD-CABCVRRESA-N 0 3 317.433 3.035 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC001713396552 1202645089 /nfs/dbraw/zinc/64/50/89/1202645089.db2.gz DDTUDOASSHKBEU-MRXNPFEDSA-N 0 3 318.848 3.208 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2sccc2C(C)C)C1 ZINC001713401396 1202646036 /nfs/dbraw/zinc/64/60/36/1202646036.db2.gz QCKBJAAREUDQKM-HNNXBMFYSA-N 0 3 318.486 3.431 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2cccnc21 ZINC001713411881 1202647156 /nfs/dbraw/zinc/64/71/56/1202647156.db2.gz VFXDSGJVJMQQOG-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1cccc(C)c1 ZINC001713413597 1202647280 /nfs/dbraw/zinc/64/72/80/1202647280.db2.gz ZYEZCZMWIFWMLB-OAHLLOKOSA-N 0 3 308.853 3.165 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1F ZINC001713514965 1202663301 /nfs/dbraw/zinc/66/33/01/1202663301.db2.gz LIJHZLPYPRXPPJ-NVXWUHKLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)CCc1ccccc1F ZINC001713515604 1202663589 /nfs/dbraw/zinc/66/35/89/1202663589.db2.gz XUGLQSHPVGTVKD-NVXWUHKLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001713516191 1202663614 /nfs/dbraw/zinc/66/36/14/1202663614.db2.gz IYPSMUUTJSYWDJ-XLIONFOSSA-N 0 3 312.457 3.121 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc2ccsc21)C1CC1 ZINC001713564349 1202671471 /nfs/dbraw/zinc/67/14/71/1202671471.db2.gz UPHSAEFWRFSBDH-UHFFFAOYSA-N 0 3 300.427 3.282 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1 ZINC001713700113 1202678493 /nfs/dbraw/zinc/67/84/93/1202678493.db2.gz DOSHBBRCMDWFAW-KZNAEPCWSA-N 0 3 312.457 3.139 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC001713701124 1202678706 /nfs/dbraw/zinc/67/87/06/1202678706.db2.gz RNIXACMZPOEERX-HAGHYFMRSA-N 0 3 324.468 3.283 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC001713704891 1202678953 /nfs/dbraw/zinc/67/89/53/1202678953.db2.gz MQOIIRATWGZIPB-QFBILLFUSA-N 0 3 312.457 3.283 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001713704312 1202679035 /nfs/dbraw/zinc/67/90/35/1202679035.db2.gz DDHKTLAQZJPCNZ-PXNSSMCTSA-N 0 3 320.436 3.261 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001713716076 1202680465 /nfs/dbraw/zinc/68/04/65/1202680465.db2.gz IOUJDHDEZMRBTB-FXAWDEMLSA-N 0 3 324.468 3.474 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cccn2CC)C1 ZINC001713722816 1202682004 /nfs/dbraw/zinc/68/20/04/1202682004.db2.gz UZUVBOWXMLDIAQ-INIZCTEOSA-N 0 3 303.450 3.011 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CN(C)Cc2cc(F)cc(F)c2)C1 ZINC001713747697 1202685873 /nfs/dbraw/zinc/68/58/73/1202685873.db2.gz XVBHRMMRSQTCAC-CQSZACIVSA-N 0 3 322.399 3.211 20 30 DGEDHN C=CCOCCN1CCC(N(C)C(=O)C2(C)CCCCC2)CC1 ZINC001713783322 1202690091 /nfs/dbraw/zinc/69/00/91/1202690091.db2.gz FDZPWQQYRTYUDC-UHFFFAOYSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001713800773 1202691976 /nfs/dbraw/zinc/69/19/76/1202691976.db2.gz AXXJJIYWSCJMIM-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001713828786 1202693644 /nfs/dbraw/zinc/69/36/44/1202693644.db2.gz BRAJWBMULYABHB-LJQANCHMSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCCCN1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001713831890 1202693700 /nfs/dbraw/zinc/69/37/00/1202693700.db2.gz JXAUQTZFIXRAIG-CYBMUJFWSA-N 0 3 307.463 3.037 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1cnc(C)s1)C1CC1 ZINC001713877180 1202697964 /nfs/dbraw/zinc/69/79/64/1202697964.db2.gz USIVHYKBWGLXTG-DOTOQJQBSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(C)CCC(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001713905467 1202701148 /nfs/dbraw/zinc/70/11/48/1202701148.db2.gz RSMZGMWIXFIQBI-UHFFFAOYSA-N 0 3 306.475 3.085 20 30 DGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCCc1ccccc1 ZINC001713936370 1202703925 /nfs/dbraw/zinc/70/39/25/1202703925.db2.gz YPBQCZZLEZHXKJ-OALUTQOASA-N 0 3 312.457 3.261 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001713951846 1202704931 /nfs/dbraw/zinc/70/49/31/1202704931.db2.gz OFUNTRNDSDDSEU-BUDVYKPWSA-N 0 3 318.848 3.165 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001713957975 1202706253 /nfs/dbraw/zinc/70/62/53/1202706253.db2.gz RBFGOCGKMCXBNN-BPLDGKMQSA-N 0 3 321.852 3.074 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001713968095 1202709165 /nfs/dbraw/zinc/70/91/65/1202709165.db2.gz CVBCPJGBSMGIMC-RBSFLKMASA-N 0 3 300.874 3.438 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001713977394 1202712045 /nfs/dbraw/zinc/71/20/45/1202712045.db2.gz XJAFSUWGSXXAIS-SNWBSQOPSA-N 0 3 310.869 3.408 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@H]21 ZINC001713977393 1202712285 /nfs/dbraw/zinc/71/22/85/1202712285.db2.gz XJAFSUWGSXXAIS-KETLTQCKSA-N 0 3 310.869 3.408 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001713979625 1202713510 /nfs/dbraw/zinc/71/35/10/1202713510.db2.gz YNCXLVFMODFYNA-CALCHBBNSA-N 0 3 318.848 3.119 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001714004461 1202723554 /nfs/dbraw/zinc/72/35/54/1202723554.db2.gz LGKJLIMSVLCZTC-DAYGRLMNSA-N 0 3 322.399 3.304 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCc2sccc2C)C1 ZINC001714022254 1202731579 /nfs/dbraw/zinc/73/15/79/1202731579.db2.gz RGTFVJPMEOVBID-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001714042794 1202746207 /nfs/dbraw/zinc/74/62/07/1202746207.db2.gz YUMSBRLISKWLKI-KBPBESRZSA-N 0 3 320.399 3.369 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](C)CCCCCC)C1 ZINC001714044503 1202747385 /nfs/dbraw/zinc/74/73/85/1202747385.db2.gz RDRZKOYXQQSQBE-ROUUACIJSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCCN1Cc1ccc(C)cc1 ZINC001714102205 1202776443 /nfs/dbraw/zinc/77/64/43/1202776443.db2.gz MSDPRLFDWZIDGV-LJQANCHMSA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001714104592 1202778685 /nfs/dbraw/zinc/77/86/85/1202778685.db2.gz SQCZPINLLLAJJJ-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CC(C)(C)CO1 ZINC001714111356 1202782964 /nfs/dbraw/zinc/78/29/64/1202782964.db2.gz WZTBJGKIFUWHBS-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001714112883 1202784802 /nfs/dbraw/zinc/78/48/02/1202784802.db2.gz BDUBELOOHVECLM-IEBWSBKVSA-N 0 3 312.457 3.093 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2C[C@@H](C)OC)CCCC1 ZINC001714120170 1202789414 /nfs/dbraw/zinc/78/94/14/1202789414.db2.gz YWZFOMFRRSWYSX-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148219 1202803285 /nfs/dbraw/zinc/80/32/85/1202803285.db2.gz QRJYQAYEHJLIQD-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001714148219 1202803292 /nfs/dbraw/zinc/80/32/92/1202803292.db2.gz QRJYQAYEHJLIQD-JKSUJKDBSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccccc2C)CCCC1 ZINC001714150467 1202804421 /nfs/dbraw/zinc/80/44/21/1202804421.db2.gz DKPKOWZDRKDQDP-UHFFFAOYSA-N 0 3 320.864 3.309 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccsc2)C1 ZINC001714150544 1202805335 /nfs/dbraw/zinc/80/53/35/1202805335.db2.gz MIULOAOOONDQEN-WBVHZDCISA-N 0 3 318.486 3.124 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001714150542 1202805882 /nfs/dbraw/zinc/80/58/82/1202805882.db2.gz MIULOAOOONDQEN-NVXWUHKLSA-N 0 3 318.486 3.124 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001714155379 1202807885 /nfs/dbraw/zinc/80/78/85/1202807885.db2.gz HGEFHEWZNHFTMC-DLBZAZTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](CCNCc2cc(C)no2)C1 ZINC001714212362 1202834398 /nfs/dbraw/zinc/83/43/98/1202834398.db2.gz ZDUNVUQIEPKVLS-MRXNPFEDSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001714238348 1202843828 /nfs/dbraw/zinc/84/38/28/1202843828.db2.gz QBTFDHMXLLNQER-LBPRGKRZSA-N 0 3 310.388 3.161 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2cc(C(C)C)oc2C)cc1 ZINC001714322828 1202882555 /nfs/dbraw/zinc/88/25/55/1202882555.db2.gz LPCZVOKBENNQHW-UHFFFAOYSA-N 0 3 324.424 3.364 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001714406168 1202915265 /nfs/dbraw/zinc/91/52/65/1202915265.db2.gz FEQKTELLBHFBFV-ZIAGYGMSSA-N 0 3 321.490 3.181 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC001714405821 1202916025 /nfs/dbraw/zinc/91/60/25/1202916025.db2.gz DCQMYVPAOCWFPS-GJZGRUSLSA-N 0 3 321.490 3.325 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001714445515 1202937756 /nfs/dbraw/zinc/93/77/56/1202937756.db2.gz JTUATNYSPMDWGB-QGZVFWFLSA-N 0 3 318.486 3.365 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H](CC)c2ccccc2)C1 ZINC001714448094 1202939626 /nfs/dbraw/zinc/93/96/26/1202939626.db2.gz MRBYMOCKVYEIOI-HKUYNNGSSA-N 0 3 312.457 3.126 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC001714455428 1202944371 /nfs/dbraw/zinc/94/43/71/1202944371.db2.gz XTTXNMXGDXDYOA-KRWDZBQOSA-N 0 3 324.424 3.301 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2c(C)noc2CC)CCCC1 ZINC001714489762 1202959666 /nfs/dbraw/zinc/95/96/66/1202959666.db2.gz FWYHQQDMINBEAT-UHFFFAOYSA-N 0 3 319.449 3.030 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@H]1C=CCC1 ZINC001714506946 1202969387 /nfs/dbraw/zinc/96/93/87/1202969387.db2.gz ZSXIWBOBHJMCHI-JKSUJKDBSA-N 0 3 310.869 3.456 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@](C)(F)CCCC)CC2 ZINC001714521579 1202976633 /nfs/dbraw/zinc/97/66/33/1202976633.db2.gz YCMDGHBJLTZXNH-KRWDZBQOSA-N 0 3 310.457 3.405 20 30 DGEDHN CC[C@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001714549826 1202993822 /nfs/dbraw/zinc/99/38/22/1202993822.db2.gz REBFSYFPKGIWMP-GJZGRUSLSA-N 0 3 320.864 3.174 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(C(F)F)c(F)c1 ZINC001714591452 1203031278 /nfs/dbraw/zinc/03/12/78/1203031278.db2.gz ASEZFYVEHHQZTI-UHFFFAOYSA-N 0 3 300.324 3.001 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001714643883 1203071606 /nfs/dbraw/zinc/07/16/06/1203071606.db2.gz SWHODWDKUGUDMU-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN C=CCN(CCNC(=O)Cc1cccc2ccccc21)C1CC1 ZINC001714676973 1203097617 /nfs/dbraw/zinc/09/76/17/1203097617.db2.gz PRGJEQHAGPYDCX-UHFFFAOYSA-N 0 3 308.425 3.149 20 30 DGEDHN CN(CCNCc1cc2ccccc2o1)C(=O)C#CC(C)(C)C ZINC001714704829 1203105901 /nfs/dbraw/zinc/10/59/01/1203105901.db2.gz WECAFMYBTXDWTB-UHFFFAOYSA-N 0 3 312.413 3.030 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cc(C)[nH]c1C)c1ccccc1 ZINC001714840174 1203147960 /nfs/dbraw/zinc/14/79/60/1203147960.db2.gz PHVPGIUZDFJLGF-SFHVURJKSA-N 0 3 311.429 3.268 20 30 DGEDHN C#CCCN[C@H](CNC(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC001714843743 1203148307 /nfs/dbraw/zinc/14/83/07/1203148307.db2.gz FRHZDMSDDRVBII-HXUWFJFHSA-N 0 3 320.436 3.008 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1c(F)cccc1F)c1ccccc1 ZINC001714848960 1203150089 /nfs/dbraw/zinc/15/00/89/1203150089.db2.gz OHTHBOXVEQHPSW-INIZCTEOSA-N 0 3 316.351 3.212 20 30 DGEDHN C=CCN[C@H](CNC(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC001714846872 1203150137 /nfs/dbraw/zinc/15/01/37/1203150137.db2.gz LYHLQWPDGBACKB-LJQANCHMSA-N 0 3 308.425 3.171 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C[C@H](C)c1ccco1)c1ccccc1 ZINC001714850667 1203150649 /nfs/dbraw/zinc/15/06/49/1203150649.db2.gz VUGHGAPSCRBJFQ-FUHWJXTLSA-N 0 3 324.424 3.244 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)c1cccnc1)c1ccccc1 ZINC001714849571 1203150872 /nfs/dbraw/zinc/15/08/72/1203150872.db2.gz QSMRDESGWDIZQN-QFBILLFUSA-N 0 3 323.440 3.208 20 30 DGEDHN C=CCN[C@H](CNC(=O)CCc1ccccc1)c1ccccc1 ZINC001714851544 1203152165 /nfs/dbraw/zinc/15/21/65/1203152165.db2.gz XIWOPRKRCMDXEH-LJQANCHMSA-N 0 3 308.425 3.252 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001714986142 1203227492 /nfs/dbraw/zinc/22/74/92/1203227492.db2.gz YFGASFKHUOPPPE-AJNGGQMLSA-N 0 3 314.420 3.143 20 30 DGEDHN C=C(C)[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C)OCC ZINC001714988519 1203227741 /nfs/dbraw/zinc/22/77/41/1203227741.db2.gz MYISFNIMJJLUOW-OKZBNKHCSA-N 0 3 322.493 3.079 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccco1 ZINC001714991973 1203228207 /nfs/dbraw/zinc/22/82/07/1203228207.db2.gz NPEQQAQJMHGANY-ULQDDVLXSA-N 0 3 316.445 3.415 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001715005155 1203233879 /nfs/dbraw/zinc/23/38/79/1203233879.db2.gz HIOSPSRLOHDCSX-OAHLLOKOSA-N 0 3 319.449 3.327 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(CCOC2CCCCCC2)C1 ZINC001715014527 1203237812 /nfs/dbraw/zinc/23/78/12/1203237812.db2.gz JRFNDULSEVUPNO-QGZVFWFLSA-N 0 3 322.493 3.225 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001715028584 1203244053 /nfs/dbraw/zinc/24/40/53/1203244053.db2.gz MPRMMAKIXBVBNL-MRXNPFEDSA-N 0 3 318.436 3.113 20 30 DGEDHN C=CCCCCCN1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001715040091 1203249648 /nfs/dbraw/zinc/24/96/48/1203249648.db2.gz BROBXWMMDNPBGT-OAHLLOKOSA-N 0 3 321.490 3.426 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1ccc(Cl)nc1 ZINC001715068951 1203261472 /nfs/dbraw/zinc/26/14/72/1203261472.db2.gz BXNJYHHVAAGWQL-YOEHRIQHSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1cc(C)ns1 ZINC001715069788 1203262554 /nfs/dbraw/zinc/26/25/54/1203262554.db2.gz KXJHLASVCLUOAZ-CYBMUJFWSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)c2occc2Cl)CCCC1 ZINC001715100434 1203272811 /nfs/dbraw/zinc/27/28/11/1203272811.db2.gz QIOBOEKAHUMELQ-UHFFFAOYSA-N 0 3 317.216 3.318 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001715153462 1203285853 /nfs/dbraw/zinc/28/58/53/1203285853.db2.gz PXDHIVQHKNRPDW-HNNXBMFYSA-N 0 3 310.869 3.314 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001715162491 1203287504 /nfs/dbraw/zinc/28/75/04/1203287504.db2.gz RUQYAVUVFYOMER-HIFRSBDPSA-N 0 3 312.885 3.393 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)cc1 ZINC001715195464 1203293609 /nfs/dbraw/zinc/29/36/09/1203293609.db2.gz DGLOTNBTWFGOKK-UYAOXDASSA-N 0 3 312.457 3.098 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001715209450 1203296397 /nfs/dbraw/zinc/29/63/97/1203296397.db2.gz SXGSUTFDMUXPDH-MRXNPFEDSA-N 0 3 304.409 3.263 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1nc(C)sc1C ZINC001715228288 1203300128 /nfs/dbraw/zinc/30/01/28/1203300128.db2.gz FUYXSQWLFGJBMM-GFCCVEGCSA-N 0 3 323.506 3.204 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1 ZINC001715304146 1203310645 /nfs/dbraw/zinc/31/06/45/1203310645.db2.gz ULOSNTQSEPTOKR-RBSFLKMASA-N 0 3 310.869 3.194 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001715327843 1203316226 /nfs/dbraw/zinc/31/62/26/1203316226.db2.gz GUKNUYAKTIKXBO-ZDUSSCGKSA-N 0 3 324.827 3.219 20 30 DGEDHN C[C@H](CNCC#Cc1ccc(Cl)cc1)N(C)C(=O)C(C)(C)C ZINC001715373708 1203327663 /nfs/dbraw/zinc/32/76/63/1203327663.db2.gz VASGSHNQRWUDRR-CQSZACIVSA-N 0 3 320.864 3.174 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccsc1 ZINC001715429703 1203340485 /nfs/dbraw/zinc/34/04/85/1203340485.db2.gz STNYFHUDQOVGJD-CQSZACIVSA-N 0 3 312.866 3.475 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](NCc1ccccc1Cl)C(C)C ZINC001715496315 1203352240 /nfs/dbraw/zinc/35/22/40/1203352240.db2.gz SJQKDOAWSKRBKI-QGZVFWFLSA-N 0 3 320.864 3.374 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(OCC)c1)C(C)C ZINC001715504230 1203354437 /nfs/dbraw/zinc/35/44/37/1203354437.db2.gz NMTMKEOLCFZZFM-MRXNPFEDSA-N 0 3 324.852 3.182 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(F)c(Cl)cc1F ZINC001715527787 1203361808 /nfs/dbraw/zinc/36/18/08/1203361808.db2.gz ANZSAUJJUWLPRR-UHFFFAOYSA-N 0 3 316.779 3.198 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1oc(C(F)F)cc1C ZINC001715651836 1203377734 /nfs/dbraw/zinc/37/77/34/1203377734.db2.gz GTNDYFFZOQFPKX-JTQLQIEISA-N 0 3 320.767 3.376 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)ccc1F)C(C)C ZINC001715664574 1203378812 /nfs/dbraw/zinc/37/88/12/1203378812.db2.gz WSZHMTNDUMKKMK-OAHLLOKOSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(Cl)c(C)c1 ZINC001715675374 1203379908 /nfs/dbraw/zinc/37/99/08/1203379908.db2.gz BKWZTKZIZYMMGM-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2occc2s1 ZINC001715687661 1203381051 /nfs/dbraw/zinc/38/10/51/1203381051.db2.gz ZIDFBPRHBDMPDX-JTQLQIEISA-N 0 3 312.822 3.345 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](c1cccnc1)C(C)C ZINC001715702933 1203382170 /nfs/dbraw/zinc/38/21/70/1203382170.db2.gz XADNQSOOCIAHPI-HOCLYGCPSA-N 0 3 323.868 3.058 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)nc1C(C)C ZINC001715922289 1203404718 /nfs/dbraw/zinc/40/47/18/1203404718.db2.gz MAWXIEKACAHLJJ-UHFFFAOYSA-N 0 3 303.450 3.093 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](C)CNCc1ccccn1)c1ccccc1 ZINC001715963335 1203412134 /nfs/dbraw/zinc/41/21/34/1203412134.db2.gz WIQWYTFHOKOVIF-APWZRJJASA-N 0 3 323.440 3.036 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2cccc(C(C)C)n2)C1 ZINC001715994147 1203417643 /nfs/dbraw/zinc/41/76/43/1203417643.db2.gz HBHZHCKTWSPLFY-HNNXBMFYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1csc2c1CC[C@@H](C)C2 ZINC001716004213 1203419972 /nfs/dbraw/zinc/41/99/72/1203419972.db2.gz QSUHJCDDAWEXPM-CQSZACIVSA-N 0 3 320.502 3.453 20 30 DGEDHN C=CC[C@H](C(=O)N[C@@H](C)CNCc1ccccn1)c1ccccc1 ZINC001716008513 1203420649 /nfs/dbraw/zinc/42/06/49/1203420649.db2.gz WIQWYTFHOKOVIF-LPHOPBHVSA-N 0 3 323.440 3.036 20 30 DGEDHN CCCCCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716018480 1203424300 /nfs/dbraw/zinc/42/43/00/1203424300.db2.gz VGGAOSZFTIEKBL-OAHLLOKOSA-N 0 3 301.434 3.075 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001716018944 1203424311 /nfs/dbraw/zinc/42/43/11/1203424311.db2.gz BRNYOIPUWCJMRX-LSDHHAIUSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001716044962 1203434592 /nfs/dbraw/zinc/43/45/92/1203434592.db2.gz OBDHHIMHPIBPGM-HNNXBMFYSA-N 0 3 320.452 3.407 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001716050748 1203435632 /nfs/dbraw/zinc/43/56/32/1203435632.db2.gz VAOMEMGHJGHMBM-AVTSYZAUSA-N 0 3 322.880 3.430 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(C(C)C)n1 ZINC001716153416 1203443570 /nfs/dbraw/zinc/44/35/70/1203443570.db2.gz KCDQAOXCAZVPQD-CYBMUJFWSA-N 0 3 309.841 3.056 20 30 DGEDHN CC#CCNCCN(CC)C(=O)c1cc2ccccc2cc1F ZINC001716228456 1203451451 /nfs/dbraw/zinc/45/14/51/1203451451.db2.gz FWRBTGKZJFAFJX-UHFFFAOYSA-N 0 3 312.388 3.054 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2ccc(F)cc2)C1 ZINC001716239889 1203452907 /nfs/dbraw/zinc/45/29/07/1203452907.db2.gz NTWSGGAICNULOT-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)C(CC)(CC)c1ccccc1 ZINC001716380297 1203463197 /nfs/dbraw/zinc/46/31/97/1203463197.db2.gz ZUBITDKCRKEBAX-VAWYXSNFSA-N 0 3 312.457 3.030 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)C(CC)(CC)c1ccccc1 ZINC001716380296 1203463439 /nfs/dbraw/zinc/46/34/39/1203463439.db2.gz ZUBITDKCRKEBAX-QXMHVHEDSA-N 0 3 312.457 3.030 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001716388255 1203464767 /nfs/dbraw/zinc/46/47/67/1203464767.db2.gz WITTWZSQVVPGEU-CQSZACIVSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2ccncc2c1 ZINC001716577725 1203504006 /nfs/dbraw/zinc/50/40/06/1203504006.db2.gz MGJYHXJIWOCLSX-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001716619228 1203507076 /nfs/dbraw/zinc/50/70/76/1203507076.db2.gz ROIRYTTVIBMAPE-YLJYHZDGSA-N 0 3 324.468 3.125 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001716658730 1203515679 /nfs/dbraw/zinc/51/56/79/1203515679.db2.gz LQNPNMBNVDWJOV-QGZVFWFLSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001716658849 1203515924 /nfs/dbraw/zinc/51/59/24/1203515924.db2.gz OAJMPIHQYOVFPR-IBGZPJMESA-N 0 3 314.473 3.393 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001716660078 1203516534 /nfs/dbraw/zinc/51/65/34/1203516534.db2.gz LMQOVSLPONXDOJ-QGZVFWFLSA-N 0 3 304.478 3.360 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1F ZINC001716662434 1203518088 /nfs/dbraw/zinc/51/80/88/1203518088.db2.gz HKPLGSCNPVSQMH-NVXWUHKLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001716667150 1203519389 /nfs/dbraw/zinc/51/93/89/1203519389.db2.gz VIHSVJCMPFGDBQ-SFHVURJKSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCN1CCCC)c1ccccc1 ZINC001716670673 1203520755 /nfs/dbraw/zinc/52/07/55/1203520755.db2.gz HBERVVWNFIKSIS-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(CCc2ccccc2)CC1 ZINC001716673720 1203522500 /nfs/dbraw/zinc/52/25/00/1203522500.db2.gz YUHVBJOGLTURRT-SFHVURJKSA-N 0 3 312.457 3.166 20 30 DGEDHN C=CCC1(C(=O)N2CCC[C@H]2CNC[C@@H](F)CC)CCCC1 ZINC001716791670 1203543262 /nfs/dbraw/zinc/54/32/62/1203543262.db2.gz NQDRLYPKNVFIRF-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN C#CCNC[C@@H](NC(=O)c1ccoc1)c1ccc2ccccc2c1 ZINC001716813020 1203545960 /nfs/dbraw/zinc/54/59/60/1203545960.db2.gz XSJQFWFZUWJGSQ-LJQANCHMSA-N 0 3 318.376 3.127 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001716829755 1203549549 /nfs/dbraw/zinc/54/95/49/1203549549.db2.gz BVZXPGQHZLBZSG-BFHGZXLWSA-N 0 3 314.473 3.237 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001716843847 1203553361 /nfs/dbraw/zinc/55/33/61/1203553361.db2.gz QENNLAQUIIRHGC-BEFAXECRSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)Cc2cccc3ccccc32)C1 ZINC001716850783 1203555849 /nfs/dbraw/zinc/55/58/49/1203555849.db2.gz QZEZEWFQUXWOBE-FQEVSTJZSA-N 0 3 308.425 3.149 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001716901707 1203566615 /nfs/dbraw/zinc/56/66/15/1203566615.db2.gz NZRQPKCKXKONJJ-QKNQBKEWSA-N 0 3 324.468 3.032 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC2CC(F)(F)C2)cc1 ZINC001717115382 1203586561 /nfs/dbraw/zinc/58/65/61/1203586561.db2.gz MVYSNOPDZFIIFW-ZDUSSCGKSA-N 0 3 320.383 3.022 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001717123349 1203588333 /nfs/dbraw/zinc/58/83/33/1203588333.db2.gz WBHRWZVMWKUQHR-IIDMSEBBSA-N 0 3 319.449 3.042 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C[C@@H]3C=CCC3)cccc2C1 ZINC001717142134 1203589967 /nfs/dbraw/zinc/58/99/67/1203589967.db2.gz CPNHJIPYUNFWFU-QGZVFWFLSA-N 0 3 322.452 3.041 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H](C)CCC=C(C)C)CCC1 ZINC001717157878 1203593129 /nfs/dbraw/zinc/59/31/29/1203593129.db2.gz YRXLHFKLVULLQH-KRWDZBQOSA-N 0 3 304.478 3.411 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001717194540 1203597077 /nfs/dbraw/zinc/59/70/77/1203597077.db2.gz SQPZKGMEVXZKRI-SFHVURJKSA-N 0 3 316.420 3.100 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001717198528 1203598106 /nfs/dbraw/zinc/59/81/06/1203598106.db2.gz UAHHRUZYPVTWMR-LBPRGKRZSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN(CC#CC)CC1)c1ccccc1 ZINC001717201906 1203599392 /nfs/dbraw/zinc/59/93/92/1203599392.db2.gz KNCADTNHTHLLIC-UYAOXDASSA-N 0 3 324.468 3.340 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CCC)C(C)C)C2 ZINC001717248047 1203610070 /nfs/dbraw/zinc/61/00/70/1203610070.db2.gz TZQPDQOZDFTIJH-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001717373237 1203629460 /nfs/dbraw/zinc/62/94/60/1203629460.db2.gz HFXHGTZSRAYOMA-NSHGMRRFSA-N 0 3 312.457 3.289 20 30 DGEDHN C[C@H](CNC(=O)CC1CCCC1)N(C)Cc1cccc(C#N)c1 ZINC001717465606 1203652440 /nfs/dbraw/zinc/65/24/40/1203652440.db2.gz SRNXQALZIRHFKA-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C=CCOCC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001717467149 1203653133 /nfs/dbraw/zinc/65/31/33/1203653133.db2.gz WJCPCEWFCHWHQV-KBPBESRZSA-N 0 3 324.852 3.040 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC001717473176 1203655322 /nfs/dbraw/zinc/65/53/22/1203655322.db2.gz VVPVRXHOSCFUST-MRXNPFEDSA-N 0 3 312.457 3.160 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001717482050 1203658744 /nfs/dbraw/zinc/65/87/44/1203658744.db2.gz WFLYBNVSMZDPBH-LBPRGKRZSA-N 0 3 302.418 3.271 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H](C)c2ccco2)C(C)(C)C1 ZINC001717587553 1203687332 /nfs/dbraw/zinc/68/73/32/1203687332.db2.gz HJQFUAYEJZPYKR-GOEBONIOSA-N 0 3 304.434 3.176 20 30 DGEDHN CC(=O)N[C@H](CCCNCc1ccccc1C#N)c1ccccc1 ZINC001717716212 1203703601 /nfs/dbraw/zinc/70/36/01/1203703601.db2.gz SSSNZJUSNZWEQN-HXUWFJFHSA-N 0 3 321.424 3.305 20 30 DGEDHN CC/C(C)=C\C(=O)N(C)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001717729655 1203706236 /nfs/dbraw/zinc/70/62/36/1203706236.db2.gz GQMAAJKEKXJJMH-DNCJFXNASA-N 0 3 324.468 3.221 20 30 DGEDHN CCCC(=O)N1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@H]1C ZINC001717786761 1203711904 /nfs/dbraw/zinc/71/19/04/1203711904.db2.gz VLKKUAYBKNKCNS-RHSMWYFYSA-N 0 3 318.848 3.071 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2coc3ccc(CC)cc23)C1 ZINC001717812601 1203715333 /nfs/dbraw/zinc/71/53/33/1203715333.db2.gz IUDNUXPJTDEJIG-HOCLYGCPSA-N 0 3 324.424 3.211 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@H]1C ZINC001717812002 1203715417 /nfs/dbraw/zinc/71/54/17/1203715417.db2.gz JQUIBRQCFIIGTI-KGLIPLIRSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001717813610 1203715470 /nfs/dbraw/zinc/71/54/70/1203715470.db2.gz ULQLQBOJPRLAQI-IEBWSBKVSA-N 0 3 324.468 3.219 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001717830232 1203717554 /nfs/dbraw/zinc/71/75/54/1203717554.db2.gz PKSUNNOOKQNYIA-ZIAGYGMSSA-N 0 3 318.486 3.262 20 30 DGEDHN CC(C)C#CC(=O)N[C@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001717835370 1203718328 /nfs/dbraw/zinc/71/83/28/1203718328.db2.gz FEUZNKFNKSKCNR-WMZOPIPTSA-N 0 3 316.470 3.021 20 30 DGEDHN C=C[C@@H](CC(=O)N1C[C@H](NCCF)C(C)(C)C1)c1ccccc1 ZINC001717903960 1203730478 /nfs/dbraw/zinc/73/04/78/1203730478.db2.gz CGMNBMJQUIKCMN-RDJZCZTQSA-N 0 3 318.436 3.142 20 30 DGEDHN Cc1ccc(CN(C)CCN(C(=O)[C@H](C)C#N)C(C)C)cc1C ZINC001717948225 1203732777 /nfs/dbraw/zinc/73/27/77/1203732777.db2.gz WUQRRTGSEXJJQM-QGZVFWFLSA-N 0 3 315.461 3.132 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1cccc(Cl)c1F)C(C)C ZINC001717950322 1203733751 /nfs/dbraw/zinc/73/37/51/1203733751.db2.gz MXWBWRJURWJMKG-UHFFFAOYSA-N 0 3 324.827 3.285 20 30 DGEDHN CCC[C@@H]1C[C@H]1C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001717995884 1203741827 /nfs/dbraw/zinc/74/18/27/1203741827.db2.gz HAELDPVOGXSWNI-YNIZLOQISA-N 0 3 324.468 3.053 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC[C@@H]2CCc3ccccc32)CC1 ZINC001718033561 1203745447 /nfs/dbraw/zinc/74/54/47/1203745447.db2.gz NVUBMCOGTVFORG-IBGZPJMESA-N 0 3 324.468 3.431 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001723155897 1203958917 /nfs/dbraw/zinc/95/89/17/1203958917.db2.gz YMKOEWQHSUGGPZ-ZDUSSCGKSA-N 0 3 312.816 3.120 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001723181718 1203959508 /nfs/dbraw/zinc/95/95/08/1203959508.db2.gz VBSOSAXYLOVYCF-SHTZXODSSA-N 0 3 300.874 3.393 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccccc1OC(C)C ZINC001723181658 1203959707 /nfs/dbraw/zinc/95/97/07/1203959707.db2.gz SFUJFAPPDZENDR-UHFFFAOYSA-N 0 3 324.852 3.278 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001723433844 1203971526 /nfs/dbraw/zinc/97/15/26/1203971526.db2.gz TVUCAVKZRKNLMR-RDJZCZTQSA-N 0 3 315.461 3.364 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001723442567 1203972458 /nfs/dbraw/zinc/97/24/58/1203972458.db2.gz AMSMKCAJDSJZEX-JSGCOSHPSA-N 0 3 317.458 3.388 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCN1CC1CCC(F)(F)CC1 ZINC001723453044 1203974345 /nfs/dbraw/zinc/97/43/45/1203974345.db2.gz YSQSGZPJJPINPC-HNNXBMFYSA-N 0 3 314.420 3.359 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001723462373 1203975571 /nfs/dbraw/zinc/97/55/71/1203975571.db2.gz DMLLOHDTGUDIPZ-XLIONFOSSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001723472190 1203977029 /nfs/dbraw/zinc/97/70/29/1203977029.db2.gz HGPAYSSTIPLVEF-SJORKVTESA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCN1CCC)c1ccccc1 ZINC001723483005 1203978135 /nfs/dbraw/zinc/97/81/35/1203978135.db2.gz NKPKERNTKPBXNP-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001723485698 1203978615 /nfs/dbraw/zinc/97/86/15/1203978615.db2.gz YNMXIBFATZZWRL-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001723547391 1203981958 /nfs/dbraw/zinc/98/19/58/1203981958.db2.gz XTSSGUKMNPGIRI-UHFFFAOYSA-N 0 3 316.420 3.088 20 30 DGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C=C(CC)CC)C2)C1 ZINC001723678742 1203988626 /nfs/dbraw/zinc/98/86/26/1203988626.db2.gz NNWLYQPPLUFWSJ-IBGZPJMESA-N 0 3 302.462 3.071 20 30 DGEDHN C#CCN(C(=O)/C=C\C(C)(C)C)C1CCN(CC=C(C)C)CC1 ZINC001724037104 1204002392 /nfs/dbraw/zinc/00/23/92/1204002392.db2.gz XTULYZFGFYTQQX-WQLSENKSSA-N 0 3 316.489 3.481 20 30 DGEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001724185273 1204013006 /nfs/dbraw/zinc/01/30/06/1204013006.db2.gz WSLYDKMMUXOQRK-VQIMIIECSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001724189875 1204013483 /nfs/dbraw/zinc/01/34/83/1204013483.db2.gz LHCHOOPRYJAZTR-QFBILLFUSA-N 0 3 300.446 3.022 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001724325520 1204021822 /nfs/dbraw/zinc/02/18/22/1204021822.db2.gz XXUMUOGXVGIZIT-LPHOPBHVSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(F)ccc2CC)C1 ZINC001724329383 1204022756 /nfs/dbraw/zinc/02/27/56/1204022756.db2.gz VCNQONCFULXMRY-IBGZPJMESA-N 0 3 318.436 3.406 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001724330866 1204022805 /nfs/dbraw/zinc/02/28/05/1204022805.db2.gz RWXMUBAZFDTOGC-HXUWFJFHSA-N 0 3 323.440 3.023 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001724342246 1204023694 /nfs/dbraw/zinc/02/36/94/1204023694.db2.gz GHCCIIPKTLWLAL-IBGZPJMESA-N 0 3 311.429 3.186 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(OCC)cc2)C1 ZINC001724341975 1204023991 /nfs/dbraw/zinc/02/39/91/1204023991.db2.gz BXUVAHJZQFQKGW-LJQANCHMSA-N 0 3 316.445 3.103 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1 ZINC001724646856 1204035554 /nfs/dbraw/zinc/03/55/54/1204035554.db2.gz KIOGBDBHAQOJTI-MOPGFXCFSA-N 0 3 323.440 3.090 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001724688158 1204037912 /nfs/dbraw/zinc/03/79/12/1204037912.db2.gz ASVRLQYTYBHMEC-ZDUSSCGKSA-N 0 3 310.800 3.020 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001724721541 1204039696 /nfs/dbraw/zinc/03/96/96/1204039696.db2.gz CIIKQMDLBXLZKP-LSDHHAIUSA-N 0 3 312.885 3.393 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC001724733618 1204040914 /nfs/dbraw/zinc/04/09/14/1204040914.db2.gz HLCYHXWEJRNMDH-MRXNPFEDSA-N 0 3 320.864 3.118 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1[nH]ccc1C ZINC001724737706 1204041520 /nfs/dbraw/zinc/04/15/20/1204041520.db2.gz ROVUAWJXOXHCHR-UHFFFAOYSA-N 0 3 311.429 3.261 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2CCC(=C)CC2)cc1 ZINC001724748842 1204043210 /nfs/dbraw/zinc/04/32/10/1204043210.db2.gz KMYXWYMDZPGMCH-MRXNPFEDSA-N 0 3 310.441 3.333 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)[C@@H](CCC)c3ccccc3)C2)CC1 ZINC001724759181 1204044241 /nfs/dbraw/zinc/04/42/41/1204044241.db2.gz KJCPNAGQVKCBNY-IBGZPJMESA-N 0 3 324.468 3.128 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC001724846894 1204055297 /nfs/dbraw/zinc/05/52/97/1204055297.db2.gz UWBKJOOREFUKBK-HKUYNNGSSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN(CC#CC)C1 ZINC001724868963 1204061501 /nfs/dbraw/zinc/06/15/01/1204061501.db2.gz SPIBQLYLMLMTMC-ZWKOTPCHSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)C(C)C ZINC001724893592 1204063431 /nfs/dbraw/zinc/06/34/31/1204063431.db2.gz KQXVXTGGMQWJLK-GOSISDBHSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C#CC(C)C ZINC001724893573 1204063531 /nfs/dbraw/zinc/06/35/31/1204063531.db2.gz KKIFKVKWNZQKRC-HXUWFJFHSA-N 0 3 324.468 3.155 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001724900952 1204065328 /nfs/dbraw/zinc/06/53/28/1204065328.db2.gz ZYYGVHZNBUDSRH-QFBILLFUSA-N 0 3 314.473 3.398 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(CCC)CCC)C(C)(C)C1 ZINC001724979692 1204074247 /nfs/dbraw/zinc/07/42/47/1204074247.db2.gz RIQGNXIBHTWCQY-QGZVFWFLSA-N 0 3 306.494 3.443 20 30 DGEDHN CCCCCCCN1CCOC2(CCN(C(=O)CCC)CC2)C1 ZINC001725010227 1204078835 /nfs/dbraw/zinc/07/88/35/1204078835.db2.gz IACBWIGEINUNMD-UHFFFAOYSA-N 0 3 324.509 3.450 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CC)Cc1ccccc1 ZINC001725045358 1204084992 /nfs/dbraw/zinc/08/49/92/1204084992.db2.gz FYDVHWJVUINSEU-RTBURBONSA-N 0 3 314.473 3.364 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(C)cccc1Cl ZINC001725047206 1204085524 /nfs/dbraw/zinc/08/55/24/1204085524.db2.gz LUGIDUYTENFNJL-AWEZNQCLSA-N 0 3 306.837 3.371 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(Cl)cs2)C1 ZINC001725071391 1204089201 /nfs/dbraw/zinc/08/92/01/1204089201.db2.gz SFHJOSWPTYGAFI-UHFFFAOYSA-N 0 3 319.257 3.252 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@H](C)NCc1ccccc1F ZINC001725086501 1204091761 /nfs/dbraw/zinc/09/17/61/1204091761.db2.gz JCQYTZFIKUTUOV-LSDHHAIUSA-N 0 3 304.409 3.002 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccccc1F ZINC001725086499 1204091968 /nfs/dbraw/zinc/09/19/68/1204091968.db2.gz JCQYTZFIKUTUOV-HUUCEWRRSA-N 0 3 304.409 3.002 20 30 DGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)CCC1(C)CC1 ZINC001725115459 1204097612 /nfs/dbraw/zinc/09/76/12/1204097612.db2.gz FMEXCVDXHAENMC-STQMWFEESA-N 0 3 319.474 3.183 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1Cc1ncccc1C ZINC001725238390 1204125025 /nfs/dbraw/zinc/12/50/25/1204125025.db2.gz NYPRDBWTPBPGAI-KRWDZBQOSA-N 0 3 315.461 3.217 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001725256238 1204128352 /nfs/dbraw/zinc/12/83/52/1204128352.db2.gz DAZLHTLNWOHMRL-LBPRGKRZSA-N 0 3 324.827 3.034 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(CC)CC)C[C@H]2C1 ZINC001725327089 1204137222 /nfs/dbraw/zinc/13/72/22/1204137222.db2.gz APKBBKQDEPRBAX-JYJNAYRXSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001725339332 1204138475 /nfs/dbraw/zinc/13/84/75/1204138475.db2.gz SOQSNSHORJDLGH-BZUAXINKSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001725339330 1204138617 /nfs/dbraw/zinc/13/86/17/1204138617.db2.gz SOQSNSHORJDLGH-ARFHVFGLSA-N 0 3 310.869 3.312 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001725339333 1204138737 /nfs/dbraw/zinc/13/87/37/1204138737.db2.gz SOQSNSHORJDLGH-HRCADAONSA-N 0 3 310.869 3.312 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C(C)(C)CC(F)(F)F)C2)C1 ZINC001725345039 1204139318 /nfs/dbraw/zinc/13/93/18/1204139318.db2.gz KJDQWUOSIUGRHM-UHFFFAOYSA-N 0 3 318.383 3.075 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2cccc(C)c2)C1 ZINC001725359408 1204140396 /nfs/dbraw/zinc/14/03/96/1204140396.db2.gz JARWXLXKLYOIBC-QAQDUYKDSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2sccc2Cl)C1 ZINC001725356833 1204140521 /nfs/dbraw/zinc/14/05/21/1204140521.db2.gz LTDQQAYTQYYBMX-MGCOHNPYSA-N 0 3 319.257 3.252 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001725513118 1204163321 /nfs/dbraw/zinc/16/33/21/1204163321.db2.gz FZWLMFBYCCGFIQ-QGZVFWFLSA-N 0 3 320.436 3.427 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001725592032 1204174325 /nfs/dbraw/zinc/17/43/25/1204174325.db2.gz LYIPHUKTFTXKSQ-LOYZYROESA-N 0 3 310.441 3.001 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001725626943 1204184873 /nfs/dbraw/zinc/18/48/73/1204184873.db2.gz KSYFKQPPAPWOBM-AEFFLSMTSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](CC)CCCCC)CCC[C@@H]12 ZINC001725645293 1204190601 /nfs/dbraw/zinc/19/06/01/1204190601.db2.gz ZQFZFPMKJHAWDL-YQVWRLOYSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1c[nH]c2ccc(F)cc12)C(C)C ZINC001725731991 1204204717 /nfs/dbraw/zinc/20/47/17/1204204717.db2.gz GLEBRYIRDYICFS-UHFFFAOYSA-N 0 3 317.408 3.275 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@](C)(F)CCCC)CC1 ZINC001725766542 1204217136 /nfs/dbraw/zinc/21/71/36/1204217136.db2.gz KJYGVPFCCXLCSH-YJBOKZPZSA-N 0 3 310.457 3.145 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001725818131 1204225852 /nfs/dbraw/zinc/22/58/52/1204225852.db2.gz UBSUBNYAKOIXEY-SREVYHEPSA-N 0 3 310.441 3.110 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)c(F)c1 ZINC001725832804 1204229506 /nfs/dbraw/zinc/22/95/06/1204229506.db2.gz GOZAEWJPTMPPDV-QFBILLFUSA-N 0 3 318.436 3.400 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001753074462 1204306523 /nfs/dbraw/zinc/30/65/23/1204306523.db2.gz MGXGHKCETRAKSG-QGZVFWFLSA-N 0 3 306.425 3.189 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001753094115 1204309048 /nfs/dbraw/zinc/30/90/48/1204309048.db2.gz XCBUFKIGFQESGW-ZDUSSCGKSA-N 0 3 306.475 3.111 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(C)c1Cl ZINC001753148700 1204323846 /nfs/dbraw/zinc/32/38/46/1204323846.db2.gz NUIIDUJRIJPACI-UHFFFAOYSA-N 0 3 306.837 3.114 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C=C/c1ccc[nH]1 ZINC001731290618 1204363761 /nfs/dbraw/zinc/36/37/61/1204363761.db2.gz GNVGWTGTVYQBRD-MOIGAOQCSA-N 0 3 321.852 3.140 20 30 DGEDHN C#CCN(CCCNC(=O)c1cccc2ccsc21)C1CC1 ZINC001731343254 1204379256 /nfs/dbraw/zinc/37/92/56/1204379256.db2.gz YWRVINAAJCUEAX-UHFFFAOYSA-N 0 3 312.438 3.119 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC2CC(F)(F)C2)CC1 ZINC001731385522 1204391475 /nfs/dbraw/zinc/39/14/75/1204391475.db2.gz CGSOVHYHMPZYEC-UHFFFAOYSA-N 0 3 314.420 3.311 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccc(F)s2)CC1 ZINC001731388244 1204392466 /nfs/dbraw/zinc/39/24/66/1204392466.db2.gz ZPPRHSCWGGRYLB-UHFFFAOYSA-N 0 3 322.449 3.227 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CC ZINC001731423636 1204408701 /nfs/dbraw/zinc/40/87/01/1204408701.db2.gz YCSLWDXAYCPOTC-OAGGEKHMSA-N 0 3 316.445 3.486 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001731449847 1204416120 /nfs/dbraw/zinc/41/61/20/1204416120.db2.gz FYAHSGARMZYTFT-RBSFLKMASA-N 0 3 321.490 3.099 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001731484658 1204428008 /nfs/dbraw/zinc/42/80/08/1204428008.db2.gz XFAITSBJISZOSS-PHIMTYICSA-N 0 3 312.866 3.351 20 30 DGEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001731534641 1204447138 /nfs/dbraw/zinc/44/71/38/1204447138.db2.gz RRHNHPICKYFODD-SFHVURJKSA-N 0 3 320.477 3.050 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1ccccc1C ZINC001731542122 1204451901 /nfs/dbraw/zinc/45/19/01/1204451901.db2.gz VFOROOJIMCVZAV-SFHVURJKSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001731612276 1204481951 /nfs/dbraw/zinc/48/19/51/1204481951.db2.gz UXPYWLIVBVVLKM-SNVBAGLBSA-N 0 3 300.855 3.208 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001731555597 1204459379 /nfs/dbraw/zinc/45/93/79/1204459379.db2.gz UQFJYSHGXKEOTM-BMEWNCGWSA-N 0 3 310.869 3.149 20 30 DGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001731565092 1204464029 /nfs/dbraw/zinc/46/40/29/1204464029.db2.gz ZMIMRZMILJIKDY-UKNAQKAOSA-N 0 3 312.457 3.049 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001731588723 1204474804 /nfs/dbraw/zinc/47/48/04/1204474804.db2.gz MCCMWCXPSXOGBF-ZIAGYGMSSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2c(F)cccc2F)C1 ZINC001731692313 1204506776 /nfs/dbraw/zinc/50/67/76/1204506776.db2.gz UPIAWZYIJCDBFH-ZIAGYGMSSA-N 0 3 322.399 3.448 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC001731720092 1204521754 /nfs/dbraw/zinc/52/17/54/1204521754.db2.gz OMQZFUMSKQZSKW-GOSISDBHSA-N 0 3 312.457 3.172 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001731782807 1204554681 /nfs/dbraw/zinc/55/46/81/1204554681.db2.gz XLTJOVHCHIBWQZ-CQSZACIVSA-N 0 3 304.434 3.016 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001731824091 1204587093 /nfs/dbraw/zinc/58/70/93/1204587093.db2.gz OGLHELYDIZOAKM-YRVHBARZSA-N 0 3 310.441 3.084 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(Cc2ccc(C)cc2)C2CC2)C1 ZINC001731881466 1204621863 /nfs/dbraw/zinc/62/18/63/1204621863.db2.gz QWCQNDCTJSRYKC-UHFFFAOYSA-N 0 3 312.457 3.432 20 30 DGEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C=C1CCCCC1 ZINC001731894730 1204626772 /nfs/dbraw/zinc/62/67/72/1204626772.db2.gz ANTPEWFAAUQFFZ-UHFFFAOYSA-N 0 3 317.458 3.058 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC001732019010 1204650540 /nfs/dbraw/zinc/65/05/40/1204650540.db2.gz ZNDULZYFHCTBLL-KRWDZBQOSA-N 0 3 314.454 3.314 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)CCc1ccccn1)c1ccccc1 ZINC001732023763 1204653100 /nfs/dbraw/zinc/65/31/00/1204653100.db2.gz UFLIMHWRJGHKPV-LJQANCHMSA-N 0 3 323.440 3.037 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2C=CC=CC=C2)C1 ZINC001732038043 1204660492 /nfs/dbraw/zinc/66/04/92/1204660492.db2.gz BJMNTNYFARJYFN-SFHVURJKSA-N 0 3 300.446 3.174 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc(C)sc2C)C1 ZINC001732038909 1204661198 /nfs/dbraw/zinc/66/11/98/1204661198.db2.gz KHJADKNMBASJOU-INIZCTEOSA-N 0 3 318.486 3.315 20 30 DGEDHN CC/C=C(\C)C(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001732066690 1204677641 /nfs/dbraw/zinc/67/76/41/1204677641.db2.gz KTMVWYIXYPXGNZ-KYSILRCISA-N 0 3 324.468 3.175 20 30 DGEDHN CC#CCCCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001732132018 1204706607 /nfs/dbraw/zinc/70/66/07/1204706607.db2.gz YMGUEOIRCSLLTI-QGZVFWFLSA-N 0 3 312.457 3.298 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccccc1 ZINC001732150123 1204714436 /nfs/dbraw/zinc/71/44/36/1204714436.db2.gz PTGHKDSTKSJXDJ-WDSOQIARSA-N 0 3 312.457 3.432 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001732175217 1204729524 /nfs/dbraw/zinc/72/95/24/1204729524.db2.gz XSABQEOPTPZBSU-ROUUACIJSA-N 0 3 304.478 3.315 20 30 DGEDHN CCC(=CC(=O)NC[C@@H](CC)NCc1ccc(C#N)s1)CC ZINC001732197615 1204745489 /nfs/dbraw/zinc/74/54/89/1204745489.db2.gz VLWBIBTWLUNHAA-CQSZACIVSA-N 0 3 319.474 3.351 20 30 DGEDHN C#CCCCC(=O)NC[C@H](CC)NCc1ccc(C)cc1Cl ZINC001732198146 1204745666 /nfs/dbraw/zinc/74/56/66/1204745666.db2.gz OESRGNXAUKXGAG-INIZCTEOSA-N 0 3 320.864 3.436 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1c(C)nsc1C ZINC001732200628 1204746724 /nfs/dbraw/zinc/74/67/24/1204746724.db2.gz QRKMDYBMTVIBEM-AWEZNQCLSA-N 0 3 309.479 3.101 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001732210472 1204751447 /nfs/dbraw/zinc/75/14/47/1204751447.db2.gz GZWPSAUPYJHVLF-CXAGYDPISA-N 0 3 319.474 3.206 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001732210484 1204751889 /nfs/dbraw/zinc/75/18/89/1204751889.db2.gz GZWPSAUPYJHVLF-SUMWQHHRSA-N 0 3 319.474 3.206 20 30 DGEDHN C=Cc1ccc(C(=O)NCc2ccc(CNCC#CC)cc2)cc1 ZINC001732317040 1204788700 /nfs/dbraw/zinc/78/87/00/1204788700.db2.gz MHROMVWQMLHQFO-UHFFFAOYSA-N 0 3 318.420 3.373 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@]23C[C@H]2CCCC3)CCCC1 ZINC001732398010 1204820432 /nfs/dbraw/zinc/82/04/32/1204820432.db2.gz CVXZHKHTTLTYOK-RHSMWYFYSA-N 0 3 310.869 3.338 20 30 DGEDHN C=CC[C@H](C(=O)NCC1(NCCF)CCCC1)c1ccccc1 ZINC001732399489 1204821303 /nfs/dbraw/zinc/82/13/03/1204821303.db2.gz BBRXUJXMQOHFDZ-KRWDZBQOSA-N 0 3 318.436 3.334 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2cscn2)C1 ZINC001732526974 1204882021 /nfs/dbraw/zinc/88/20/21/1204882021.db2.gz VRONMCCDPJYJIV-GJZGRUSLSA-N 0 3 321.490 3.216 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H](N[C@@H](C)c1ccccc1F)C(C)C ZINC001732563163 1204897687 /nfs/dbraw/zinc/89/76/87/1204897687.db2.gz NWLMPFYBLNZRBZ-MAUKXSAKSA-N 0 3 318.436 3.277 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCC2(CC2)C1)C(C)C ZINC001732563336 1204897816 /nfs/dbraw/zinc/89/78/16/1204897816.db2.gz RGDJDQCIOHFRDG-HUUCEWRRSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2ccccc2F)C(C)C)C1 ZINC001732565228 1204898556 /nfs/dbraw/zinc/89/85/56/1204898556.db2.gz BZWRRNGXAWHMAC-KRWDZBQOSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1cc(C)ns1)C(C)C ZINC001732568069 1204900542 /nfs/dbraw/zinc/90/05/42/1204900542.db2.gz BGPKZRAHMOEFEP-HNNXBMFYSA-N 0 3 323.506 3.284 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)CCNCc1cccc(F)c1F ZINC001732724039 1204933912 /nfs/dbraw/zinc/93/39/12/1204933912.db2.gz YGVIOXPEGWZNTO-CQSZACIVSA-N 0 3 322.399 3.143 20 30 DGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2cccc(F)c2)C1 ZINC001732796559 1204944825 /nfs/dbraw/zinc/94/48/25/1204944825.db2.gz YXRAYTIIZKWAPW-UHFFFAOYSA-N 0 3 304.409 3.120 20 30 DGEDHN C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)C#CC(C)(C)C ZINC001732954157 1204964597 /nfs/dbraw/zinc/96/45/97/1204964597.db2.gz MNTRBHHDQIJFLI-ZIAGYGMSSA-N 0 3 304.409 3.031 20 30 DGEDHN C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)C#CC(C)(C)C ZINC001732954156 1204964821 /nfs/dbraw/zinc/96/48/21/1204964821.db2.gz MNTRBHHDQIJFLI-KGLIPLIRSA-N 0 3 304.409 3.031 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001732956912 1204965517 /nfs/dbraw/zinc/96/55/17/1204965517.db2.gz CETWHENCJKYCKA-OLZOCXBDSA-N 0 3 310.388 3.476 20 30 DGEDHN CCC(=CC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1)CC ZINC001732991788 1204975872 /nfs/dbraw/zinc/97/58/72/1204975872.db2.gz ABTLFUKFDATFJR-ZDUSSCGKSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1cccc(C(C)C)n1 ZINC001733012063 1204981623 /nfs/dbraw/zinc/98/16/23/1204981623.db2.gz YLJDCBAGKXPBHA-HNAYVOBHSA-N 0 3 317.477 3.402 20 30 DGEDHN CCCCCCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001733022174 1204983943 /nfs/dbraw/zinc/98/39/43/1204983943.db2.gz FETQFTISAYUUKF-INIZCTEOSA-N 0 3 318.436 3.242 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001733041230 1204995840 /nfs/dbraw/zinc/99/58/40/1204995840.db2.gz DSNLCPUGOXYDDK-LBPRGKRZSA-N 0 3 301.434 3.006 20 30 DGEDHN C=CCCC(=O)N[C@@H](CN[C@H](C)c1ccccc1F)C1CC1 ZINC001733166369 1205031921 /nfs/dbraw/zinc/03/19/21/1205031921.db2.gz ORTFKYASHACKPF-DYVFJYSZSA-N 0 3 304.409 3.337 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001733215820 1205047682 /nfs/dbraw/zinc/04/76/82/1205047682.db2.gz QBGLTDCFVTUCLS-INIZCTEOSA-N 0 3 322.399 3.323 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001733216664 1205047727 /nfs/dbraw/zinc/04/77/27/1205047727.db2.gz YBBOLHMMPJDIDR-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCCCCCC)cc1 ZINC001733219299 1205050527 /nfs/dbraw/zinc/05/05/27/1205050527.db2.gz MXGKMWHJNLTPFG-LJQANCHMSA-N 0 3 312.457 3.442 20 30 DGEDHN CC#CCCCC(=O)NC[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001733223062 1205052043 /nfs/dbraw/zinc/05/20/43/1205052043.db2.gz HNLRODMNOQMQIR-MJGOQNOKSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CCN2CC[C@H](C)F)CCCCC1 ZINC001733227567 1205056802 /nfs/dbraw/zinc/05/68/02/1205056802.db2.gz VNACNSAQFPQWRN-HOTGVXAUSA-N 0 3 310.457 3.452 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001733227930 1205058074 /nfs/dbraw/zinc/05/80/74/1205058074.db2.gz WWGVRFDJXQCTNV-GFCCVEGCSA-N 0 3 312.866 3.101 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001733232732 1205060456 /nfs/dbraw/zinc/06/04/56/1205060456.db2.gz IVUFESFAAGBELJ-MLGOLLRUSA-N 0 3 308.372 3.124 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCN1CCCC)c1ccccc1 ZINC001733237870 1205064161 /nfs/dbraw/zinc/06/41/61/1205064161.db2.gz PPIXZEUZNIMTKI-WMZOPIPTSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(C)cc2Cl)CC1 ZINC001733356595 1205104245 /nfs/dbraw/zinc/10/42/45/1205104245.db2.gz LQGWGNFHQUJFNR-UHFFFAOYSA-N 0 3 320.864 3.348 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)CCCC)C2 ZINC001733393122 1205114960 /nfs/dbraw/zinc/11/49/60/1205114960.db2.gz OEZZSXHLVJCXNP-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCC(=O)N[C@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001733398530 1205117495 /nfs/dbraw/zinc/11/74/95/1205117495.db2.gz PWKXGLWDVCMSES-PKOBYXMFSA-N 0 3 316.420 3.360 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001733400778 1205118745 /nfs/dbraw/zinc/11/87/45/1205118745.db2.gz YOAFXJCLCSQXJP-FQEVSTJZSA-N 0 3 312.457 3.222 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NCc2csc(C)n2)C1 ZINC001733525172 1205154551 /nfs/dbraw/zinc/15/45/51/1205154551.db2.gz BQEFCEPDTLDGLE-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](CCNCc2c(F)cccc2F)C1 ZINC001733640793 1205175138 /nfs/dbraw/zinc/17/51/38/1205175138.db2.gz OTIXUPRMQRFKEM-AWEZNQCLSA-N 0 3 322.399 3.259 20 30 DGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)CSC(C)C ZINC001733679008 1205181543 /nfs/dbraw/zinc/18/15/43/1205181543.db2.gz QYAHSZQTEJVRKF-UHFFFAOYSA-N 0 3 320.502 3.452 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)CCC2CCCCCC2)CC1 ZINC001733765519 1205204019 /nfs/dbraw/zinc/20/40/19/1205204019.db2.gz XZOCVJVESRJSBG-GOSISDBHSA-N 0 3 304.478 3.341 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC001733770901 1205208356 /nfs/dbraw/zinc/20/83/56/1205208356.db2.gz UUPZWAJUGPJKSD-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)C1(CC)CCC(F)(F)CC1 ZINC001733773901 1205210563 /nfs/dbraw/zinc/21/05/63/1205210563.db2.gz UGJKSJJIPNGEOK-UHFFFAOYSA-N 0 3 314.420 3.006 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC(CC)(NCc2cscn2)CC1 ZINC001733804343 1205220557 /nfs/dbraw/zinc/22/05/57/1205220557.db2.gz ICXAHRPONQXKDJ-UHFFFAOYSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCC[C@H](C)N1Cc2ccccc2C[C@H]1CNC(=O)C(F)F ZINC001733809060 1205223051 /nfs/dbraw/zinc/22/30/51/1205223051.db2.gz RPWFRXTUXHMCLI-BBRMVZONSA-N 0 3 322.399 3.149 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001733810587 1205224000 /nfs/dbraw/zinc/22/40/00/1205224000.db2.gz KRJLTUXMRSLJDS-IBGZPJMESA-N 0 3 324.468 3.296 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C1 ZINC001733849780 1205230317 /nfs/dbraw/zinc/23/03/17/1205230317.db2.gz JZPBSMRBLORZKQ-NEPJUHHUSA-N 0 3 319.276 3.344 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001733876033 1205240371 /nfs/dbraw/zinc/24/03/71/1205240371.db2.gz SAORCRCJCNPBOU-QAPCUYQASA-N 0 3 310.457 3.145 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCN(C/C=C\c2ccccc2)[C@H](C)C1 ZINC001733892289 1205242285 /nfs/dbraw/zinc/24/22/85/1205242285.db2.gz CTPCYYTZOVNAPG-XHKZUWJLSA-N 0 3 324.468 3.328 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)CCCC2CCCCC2)C[C@H]1C ZINC001733900131 1205246607 /nfs/dbraw/zinc/24/66/07/1205246607.db2.gz JWIAUYCZNOFISF-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001733907897 1205251707 /nfs/dbraw/zinc/25/17/07/1205251707.db2.gz XJXQMQRYEAMNJF-LJQANCHMSA-N 0 3 324.468 3.468 20 30 DGEDHN C=CCCC(=O)N1CCC(CN(CC)Cc2ccns2)CC1 ZINC001733918252 1205252930 /nfs/dbraw/zinc/25/29/30/1205252930.db2.gz JSHDVQIJTSIXJG-UHFFFAOYSA-N 0 3 321.490 3.170 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cscc1C ZINC001734015512 1205289113 /nfs/dbraw/zinc/28/91/13/1205289113.db2.gz PGWZAZHUZZUUEW-UHFFFAOYSA-N 0 3 314.882 3.497 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C(C)C)nc1C ZINC001733935365 1205264106 /nfs/dbraw/zinc/26/41/06/1205264106.db2.gz GIEIYWUHOGNLNF-INIZCTEOSA-N 0 3 315.461 3.236 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2cccc(C)c2o1 ZINC001733943016 1205267700 /nfs/dbraw/zinc/26/77/00/1205267700.db2.gz GCJFPZGYNVFABF-INIZCTEOSA-N 0 3 312.413 3.464 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2cccc(C)c2o1 ZINC001733943017 1205267981 /nfs/dbraw/zinc/26/79/81/1205267981.db2.gz GCJFPZGYNVFABF-MRXNPFEDSA-N 0 3 312.413 3.464 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001733949226 1205268938 /nfs/dbraw/zinc/26/89/38/1205268938.db2.gz DTGXCBROWZPROF-HWOWSKLDSA-N 0 3 310.869 3.360 20 30 DGEDHN CCCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001733963656 1205272442 /nfs/dbraw/zinc/27/24/42/1205272442.db2.gz PBILJLUOGNJMQN-KGLIPLIRSA-N 0 3 319.424 3.260 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccccc1F ZINC001733990078 1205280280 /nfs/dbraw/zinc/28/02/80/1205280280.db2.gz BPSZLTIJYLASLV-LSDHHAIUSA-N 0 3 304.409 3.002 20 30 DGEDHN C/C=C(/C)C(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001734016816 1205289635 /nfs/dbraw/zinc/28/96/35/1205289635.db2.gz OZINWGQNQZEFNN-UUASQNMZSA-N 0 3 313.445 3.099 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C2CC3(CC3)C2)CCCCC1 ZINC001734089860 1205318941 /nfs/dbraw/zinc/31/89/41/1205318941.db2.gz LVVKGPMLZMCHQE-UHFFFAOYSA-N 0 3 310.869 3.338 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](CCCC)CNCc2ccns2)C1 ZINC001734097433 1205321286 /nfs/dbraw/zinc/32/12/86/1205321286.db2.gz PKLULEXLTRVWGF-CQSZACIVSA-N 0 3 321.490 3.264 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001734110668 1205327322 /nfs/dbraw/zinc/32/73/22/1205327322.db2.gz QQMUIIIKRMBYDG-INIZCTEOSA-N 0 3 300.446 3.206 20 30 DGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001734123119 1205330070 /nfs/dbraw/zinc/33/00/70/1205330070.db2.gz DKVPQCVYAIBPBJ-SJLPKXTDSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001734122546 1205330238 /nfs/dbraw/zinc/33/02/38/1205330238.db2.gz PLMDXYPPNHBSOD-DLBZAZTESA-N 0 3 312.457 3.378 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001734126231 1205331345 /nfs/dbraw/zinc/33/13/45/1205331345.db2.gz RKVGCYVJHWZFPD-GJZGRUSLSA-N 0 3 318.436 3.332 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2nc(C)cs2)C1 ZINC001734217104 1205345222 /nfs/dbraw/zinc/34/52/22/1205345222.db2.gz KRUCNHNJQYMRHM-ZQIUZPCESA-N 0 3 321.490 3.038 20 30 DGEDHN CN(C(=O)CC1(C)CC1)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001734302827 1205360126 /nfs/dbraw/zinc/36/01/26/1205360126.db2.gz WRZRHGOZVNSYIJ-IBGZPJMESA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cc(C)ns2)CCC1 ZINC001734343135 1205367888 /nfs/dbraw/zinc/36/78/88/1205367888.db2.gz CZVGIESQPIAKOH-AWEZNQCLSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)CCCc1ccccc1 ZINC001734357066 1205371014 /nfs/dbraw/zinc/37/10/14/1205371014.db2.gz NRJGRTDLMCIAOM-ROUUACIJSA-N 0 3 314.473 3.105 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001734414370 1205374360 /nfs/dbraw/zinc/37/43/60/1205374360.db2.gz AXWKSUVQNOWQTR-NXWXRZEISA-N 0 3 316.489 3.195 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cncc(C)c2)C[C@H]1C ZINC001734422496 1205374984 /nfs/dbraw/zinc/37/49/84/1205374984.db2.gz URFXPSGRGJQVQQ-NVXWUHKLSA-N 0 3 315.461 3.071 20 30 DGEDHN C#CCCCCCC(=O)N[C@]12CCC[C@H]1N(C[C@@H](F)CC)CC2 ZINC001734438036 1205377350 /nfs/dbraw/zinc/37/73/50/1205377350.db2.gz KGKBFFAYFAYJLA-SCTDSRPQSA-N 0 3 322.468 3.431 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccccc2F)C(C)(C)C1 ZINC001734490508 1205386625 /nfs/dbraw/zinc/38/66/25/1205386625.db2.gz FDWDDGFJMVGULU-MRXNPFEDSA-N 0 3 304.409 3.119 20 30 DGEDHN CCc1ccc(CN(C)CCN(C(=O)[C@H](C)C#N)C(C)C)cc1 ZINC001734549456 1205390713 /nfs/dbraw/zinc/39/07/13/1205390713.db2.gz LGGAXINRPRBHSU-MRXNPFEDSA-N 0 3 315.461 3.077 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H](C)c1ccccc1F)C(C)C ZINC001734554702 1205392625 /nfs/dbraw/zinc/39/26/25/1205392625.db2.gz XZCDLUQYVZREBO-MRXNPFEDSA-N 0 3 318.436 3.121 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@H](CC)CC(F)(F)F)C(C)C ZINC001734554864 1205392995 /nfs/dbraw/zinc/39/29/95/1205392995.db2.gz UODITSDOHTVMKY-CYBMUJFWSA-N 0 3 308.388 3.320 20 30 DGEDHN CCCC(=O)N[C@@H](C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001734584015 1205400879 /nfs/dbraw/zinc/40/08/79/1205400879.db2.gz KZTXOTMRYSPONL-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CCCC(=O)N(C)C1CC(NCC#Cc2ccccc2Cl)C1 ZINC001734589937 1205401722 /nfs/dbraw/zinc/40/17/22/1205401722.db2.gz VZEISSWMOAYTOE-UHFFFAOYSA-N 0 3 318.848 3.071 20 30 DGEDHN C#CCCCC(=O)N(C)C1CC(NCc2cc(C)ccc2F)C1 ZINC001734593438 1205402585 /nfs/dbraw/zinc/40/25/85/1205402585.db2.gz VIKRJLGCVODYPX-UHFFFAOYSA-N 0 3 316.420 3.017 20 30 DGEDHN C=CCCCCCN1CC=C(CNC(=O)C(=O)C(C)(C)C)CC1 ZINC001734620891 1205405822 /nfs/dbraw/zinc/40/58/22/1205405822.db2.gz OKPHXNONLDMOSQ-UHFFFAOYSA-N 0 3 320.477 3.096 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001667289780 1197335238 /nfs/dbraw/zinc/33/52/38/1197335238.db2.gz ABAPBVOKLFPSKI-HRCADAONSA-N 0 3 310.869 3.146 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC(F)F)C1 ZINC001103241711 1087538037 /nfs/dbraw/zinc/53/80/37/1087538037.db2.gz UBZXUEVHTGYTPB-DMDPSCGWSA-N 0 3 322.827 3.104 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001266252668 1081580850 /nfs/dbraw/zinc/58/08/50/1081580850.db2.gz XZUSXABBRJZDKL-SWLSCSKDSA-N 0 3 321.490 3.309 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@@H]1CN(CC=C)C[C@H]1C)c1ccccc1 ZINC001211495473 1081625211 /nfs/dbraw/zinc/62/52/11/1081625211.db2.gz NNPGZSXHSXYHRZ-BHIYHBOVSA-N 0 3 312.457 3.359 20 30 DGEDHN CCCCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001266302491 1081649072 /nfs/dbraw/zinc/64/90/72/1081649072.db2.gz QMXCSZCMAYHUKQ-OAHLLOKOSA-N 0 3 304.434 3.167 20 30 DGEDHN CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001266302491 1081649074 /nfs/dbraw/zinc/64/90/74/1081649074.db2.gz QMXCSZCMAYHUKQ-OAHLLOKOSA-N 0 3 304.434 3.167 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001266322453 1081665271 /nfs/dbraw/zinc/66/52/71/1081665271.db2.gz HRGYLPPMUSDXJV-SFHVURJKSA-N 0 3 300.446 3.350 20 30 DGEDHN C#CCCCN1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001209266840 1081704033 /nfs/dbraw/zinc/70/40/33/1081704033.db2.gz DQQHPIJAGJFRQG-UHFFFAOYSA-N 0 3 323.440 3.078 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2sccc2OC)CC1 ZINC001266392435 1081737438 /nfs/dbraw/zinc/73/74/38/1081737438.db2.gz JLCYQUADQXVZJF-UHFFFAOYSA-N 0 3 322.474 3.259 20 30 DGEDHN CCC1(C(=O)NC[C@H](NCC#Cc2ccccc2)C2CC2)CCC1 ZINC001266426330 1081788362 /nfs/dbraw/zinc/78/83/62/1081788362.db2.gz JHZCWIRILLQVNH-IBGZPJMESA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@H](C)c1cccc(F)c1)C1CC1 ZINC001493415905 1081809677 /nfs/dbraw/zinc/80/96/77/1081809677.db2.gz KCGRHKATBNWSCV-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001156672171 1081818881 /nfs/dbraw/zinc/81/88/81/1081818881.db2.gz IOLOZWYWUXKZKA-CQSZACIVSA-N 0 3 308.853 3.410 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001266457018 1081852945 /nfs/dbraw/zinc/85/29/45/1081852945.db2.gz FUKJFASODVVULE-GOSISDBHSA-N 0 3 316.420 3.040 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccc(C)c1)C2 ZINC001109574755 1081870416 /nfs/dbraw/zinc/87/04/16/1081870416.db2.gz CHKGSQKGUNEAAD-QYZOEREBSA-N 0 3 312.457 3.225 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001109601678 1081878714 /nfs/dbraw/zinc/87/87/14/1081878714.db2.gz KTNCCAXLNCAUOV-SQNIBIBYSA-N 0 3 312.457 3.163 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109627170 1081888810 /nfs/dbraw/zinc/88/88/10/1081888810.db2.gz CPOZSXZELPXFRM-AABGKKOBSA-N 0 3 324.468 3.410 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(F)F ZINC001266489965 1081892402 /nfs/dbraw/zinc/89/24/02/1081892402.db2.gz XESHZGBSNIOYKE-KFWWJZLASA-N 0 3 314.420 3.309 20 30 DGEDHN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCC(C)C ZINC001109659161 1081894827 /nfs/dbraw/zinc/89/48/27/1081894827.db2.gz WESZQVCSBJZAQU-SQNIBIBYSA-N 0 3 322.493 3.127 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@@H](C)F)CCC1 ZINC001109683302 1081898874 /nfs/dbraw/zinc/89/88/74/1081898874.db2.gz GBSJBUOLPQOCQJ-WCVJEAGWSA-N 0 3 308.441 3.202 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(Cl)c(OC)c2)C1 ZINC001266514930 1081931138 /nfs/dbraw/zinc/93/11/38/1081931138.db2.gz JZQKEVNLINVJEA-AWEZNQCLSA-N 0 3 322.836 3.005 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C2 ZINC001109969936 1081940637 /nfs/dbraw/zinc/94/06/37/1081940637.db2.gz GZVDBWCNSRKLOL-NCOADZHNSA-N 0 3 304.478 3.194 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001266522581 1081942208 /nfs/dbraw/zinc/94/22/08/1081942208.db2.gz PVHIMLAAPHOKHG-HIFRSBDPSA-N 0 3 320.383 3.020 20 30 DGEDHN C=C/C(C)=C/CC(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266525102 1081945492 /nfs/dbraw/zinc/94/54/92/1081945492.db2.gz CQTPVDMEFDXTGT-VDGBGEPSSA-N 0 3 323.440 3.019 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3[nH]ccc3s2)C1 ZINC001086542125 1081971245 /nfs/dbraw/zinc/97/12/45/1081971245.db2.gz OHFFJZCLVGERHN-XYPYZODXSA-N 0 3 323.849 3.080 20 30 DGEDHN C=CCOCCCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112755293 1081997075 /nfs/dbraw/zinc/99/70/75/1081997075.db2.gz CFFJICRYZLGTQV-UHFFFAOYSA-N 0 3 322.493 3.084 20 30 DGEDHN C=C[C@@H](CC(=O)N1CC[C@H](NC/C=C\Cl)C1)c1ccccc1 ZINC001266567834 1082007101 /nfs/dbraw/zinc/00/71/01/1082007101.db2.gz UVXGREACZVRSDS-NRPYKAQRSA-N 0 3 318.848 3.289 20 30 DGEDHN Cc1cc(C)cc(CN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001204526923 1082021607 /nfs/dbraw/zinc/02/16/07/1082021607.db2.gz VSPOAYHYUCUAMI-UHFFFAOYSA-N 0 3 305.425 3.497 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(CC(CC)CC)CC1 ZINC001112851086 1082023913 /nfs/dbraw/zinc/02/39/13/1082023913.db2.gz UHBDNXCEHRNEOW-UHFFFAOYSA-N 0 3 324.509 3.330 20 30 DGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC001167359117 1082025499 /nfs/dbraw/zinc/02/54/99/1082025499.db2.gz AVUYTMNHYUCVRB-WBMJQRKESA-N 0 3 315.442 3.358 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC001112868491 1082030070 /nfs/dbraw/zinc/03/00/70/1082030070.db2.gz PTAKDGMOWGJIIX-CQSZACIVSA-N 0 3 322.399 3.006 20 30 DGEDHN C#CCCCC(=O)NCCN(Cc1ccc(C)cc1C)C1CC1 ZINC001266590955 1082041908 /nfs/dbraw/zinc/04/19/08/1082041908.db2.gz UOHFMNGMUDSDJG-UHFFFAOYSA-N 0 3 312.457 3.188 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001167391515 1082060170 /nfs/dbraw/zinc/06/01/70/1082060170.db2.gz JOCFNUBDBQSYHK-CQSZACIVSA-N 0 3 323.481 3.068 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001266611954 1082069361 /nfs/dbraw/zinc/06/93/61/1082069361.db2.gz DAGUELVYBQKJGJ-WKILWMFISA-N 0 3 315.461 3.154 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001283091805 1082167117 /nfs/dbraw/zinc/16/71/17/1082167117.db2.gz LVSDSRFSDYQLME-MIGQKNRLSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC001266752529 1082189806 /nfs/dbraw/zinc/18/98/06/1082189806.db2.gz TVPWNEKCTANQTN-KRWDZBQOSA-N 0 3 315.461 3.075 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@H](CNCc2nc(C)cs2)C1 ZINC001266804210 1082226062 /nfs/dbraw/zinc/22/60/62/1082226062.db2.gz DJYWDRODUYHOLN-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC001113597938 1082258864 /nfs/dbraw/zinc/25/88/64/1082258864.db2.gz YHIQAJSTEZMAAP-OAHLLOKOSA-N 0 3 320.864 3.381 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1cc2cc(F)ccc2o1 ZINC001167488910 1082272068 /nfs/dbraw/zinc/27/20/68/1082272068.db2.gz MFJRQCFLNFYXGA-UHFFFAOYSA-N 0 3 310.756 3.034 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001266894964 1082311696 /nfs/dbraw/zinc/31/16/96/1082311696.db2.gz YCCKSDNGIKYDMS-STQMWFEESA-N 0 3 306.372 3.122 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001266894952 1082311214 /nfs/dbraw/zinc/31/12/14/1082311214.db2.gz LAILVYJFVCKNGN-IRXDYDNUSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CCCC)CC1 ZINC001266893478 1082312279 /nfs/dbraw/zinc/31/22/79/1082312279.db2.gz VUYDQHJWVAYADB-MSOLQXFVSA-N 0 3 316.489 3.436 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001480906784 1082378709 /nfs/dbraw/zinc/37/87/09/1082378709.db2.gz HFQKBIFBVREKMM-LJQANCHMSA-N 0 3 313.445 3.318 20 30 DGEDHN CCCC(C)(C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001266967112 1082385342 /nfs/dbraw/zinc/38/53/42/1082385342.db2.gz HTYYLXBNKLNGAD-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2cc(F)cc(F)c2)CC1 ZINC001266967970 1082386299 /nfs/dbraw/zinc/38/62/99/1082386299.db2.gz LDLSXGJVRJQNCT-ZDUSSCGKSA-N 0 3 322.399 3.306 20 30 DGEDHN Cc1cc(C(=O)N(CCN(C)C)c2ccccc2)cc(C)c1C#N ZINC001125560198 1082424083 /nfs/dbraw/zinc/42/40/83/1082424083.db2.gz MPVQNDYAPMZZHV-UHFFFAOYSA-N 0 3 321.424 3.384 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1cc(C)ccc1OC ZINC001496133040 1082520555 /nfs/dbraw/zinc/52/05/55/1082520555.db2.gz SKOFLYQCBKNPBI-OAHLLOKOSA-N 0 3 318.461 3.152 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC2(C=C)CCCCC2)C1 ZINC001267111435 1082529533 /nfs/dbraw/zinc/52/95/33/1082529533.db2.gz IOTZIILJMQXTET-QGZVFWFLSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2(C=C)CCCCC2)C1 ZINC001267111434 1082529643 /nfs/dbraw/zinc/52/96/43/1082529643.db2.gz IOTZIILJMQXTET-KRWDZBQOSA-N 0 3 302.462 3.069 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cccs1 ZINC001267157660 1082578219 /nfs/dbraw/zinc/57/82/19/1082578219.db2.gz HTRMICSBADYXAG-ZDUSSCGKSA-N 0 3 312.866 3.475 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cccs1 ZINC001267157659 1082578531 /nfs/dbraw/zinc/57/85/31/1082578531.db2.gz HTRMICSBADYXAG-CYBMUJFWSA-N 0 3 312.866 3.475 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CN(C)CCOC(C)C ZINC001158005199 1082598139 /nfs/dbraw/zinc/59/81/39/1082598139.db2.gz HZGIYHJUCGFYLJ-QGZVFWFLSA-N 0 3 324.509 3.327 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC001104433607 1082630708 /nfs/dbraw/zinc/63/07/08/1082630708.db2.gz NKLUSBIVKOVBQO-VZEFYGNVSA-N 0 3 324.896 3.249 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001267210925 1082643062 /nfs/dbraw/zinc/64/30/62/1082643062.db2.gz NBOMXFUPFNORDD-RDTXWAMCSA-N 0 3 318.436 3.463 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C/C=C\c1ccc(F)cc1 ZINC001493298972 1082664148 /nfs/dbraw/zinc/66/41/48/1082664148.db2.gz HOLFKBGPDYBNPT-SREVYHEPSA-N 0 3 316.420 3.081 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCC(C)C)C[C@@H](C)O2 ZINC001131688243 1082703313 /nfs/dbraw/zinc/70/33/13/1082703313.db2.gz JDXCWDVQOHZJME-MJGOQNOKSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(CC)CC)C[C@H](C)O2 ZINC001131691850 1082707149 /nfs/dbraw/zinc/70/71/49/1082707149.db2.gz AQYHGHPJGSZAAC-QFBILLFUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(CC)CC)C[C@H](C)O2 ZINC001131691849 1082707311 /nfs/dbraw/zinc/70/73/11/1082707311.db2.gz AQYHGHPJGSZAAC-LPHOPBHVSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1cc2cc(C)ccc2s1 ZINC001267254288 1082708296 /nfs/dbraw/zinc/70/82/96/1082708296.db2.gz JXEUFPQNTQDLNF-UHFFFAOYSA-N 0 3 302.443 3.447 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001131739619 1082711035 /nfs/dbraw/zinc/71/10/35/1082711035.db2.gz XWKJMCWDIGQREC-ZIAGYGMSSA-N 0 3 302.409 3.357 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001131739618 1082711498 /nfs/dbraw/zinc/71/14/98/1082711498.db2.gz XWKJMCWDIGQREC-UONOGXRCSA-N 0 3 302.409 3.357 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1ccc(C(F)(F)F)s1 ZINC001267257254 1082713273 /nfs/dbraw/zinc/71/32/73/1082713273.db2.gz TVAZKGLHUOHQBX-UHFFFAOYSA-N 0 3 306.353 3.005 20 30 DGEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2ccc(Cl)nc2)C1 ZINC001496150702 1082721657 /nfs/dbraw/zinc/72/16/57/1082721657.db2.gz FRTZXIPXVRFBJU-ZDUSSCGKSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)CCC2CCCC2)CC[C@@H]1C ZINC001131764203 1082726015 /nfs/dbraw/zinc/72/60/15/1082726015.db2.gz DNEAAUXZKPVHSG-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1CCC[C@@H]1CNC(=O)c1ccns1 ZINC001267268569 1082727798 /nfs/dbraw/zinc/72/77/98/1082727798.db2.gz APDJPBMCFCGKJP-CQSZACIVSA-N 0 3 307.463 3.084 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC001267268411 1082728669 /nfs/dbraw/zinc/72/86/69/1082728669.db2.gz YGGKAIOBXHAHRJ-HXUWFJFHSA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCCCN1C[C@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001131824397 1082735614 /nfs/dbraw/zinc/73/56/14/1082735614.db2.gz BDPZFOMUSIAQJW-GXTWGEPZSA-N 0 3 307.463 3.000 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(C2CCC2)cc1 ZINC001267277225 1082738406 /nfs/dbraw/zinc/73/84/06/1082738406.db2.gz UNOFSSVFSMSLTO-LJQANCHMSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2CCCCCC2)CC[C@@H]1C ZINC001131900482 1082759909 /nfs/dbraw/zinc/75/99/09/1082759909.db2.gz YOKBRRZGBXUHLT-WMZOPIPTSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccsc1C(F)F ZINC001267319759 1082790212 /nfs/dbraw/zinc/79/02/12/1082790212.db2.gz QEWDJOXPDAXYJO-UHFFFAOYSA-N 0 3 314.401 3.151 20 30 DGEDHN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132001479 1082790919 /nfs/dbraw/zinc/79/09/19/1082790919.db2.gz ACYXCEHBPZWPJS-HKUYNNGSSA-N 0 3 312.457 3.268 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOC(C)C)C1 ZINC001132056699 1082802701 /nfs/dbraw/zinc/80/27/01/1082802701.db2.gz BWODKGNVCDVDQT-SJLPKXTDSA-N 0 3 322.493 3.149 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C1CC1 ZINC001267329677 1082802778 /nfs/dbraw/zinc/80/27/78/1082802778.db2.gz NSMZPRQXGGXFKC-AZUAARDMSA-N 0 3 312.457 3.121 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001267330534 1082804337 /nfs/dbraw/zinc/80/43/37/1082804337.db2.gz CRGFCDZUMDIBGS-UHFFFAOYSA-N 0 3 300.446 3.370 20 30 DGEDHN CCc1cccc(CN2C[C@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c1 ZINC001132046577 1082806211 /nfs/dbraw/zinc/80/62/11/1082806211.db2.gz PUKLNRBDQFFHNQ-OXJNMPFZSA-N 0 3 324.468 3.132 20 30 DGEDHN Cc1ccc(C)c(CN2C[C@@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c1 ZINC001132045800 1082806663 /nfs/dbraw/zinc/80/66/63/1082806663.db2.gz JAZRCPNUUFFXQR-PXNSSMCTSA-N 0 3 324.468 3.186 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C)(C)Cc1ccccc1)C1CC1 ZINC001267336045 1082813469 /nfs/dbraw/zinc/81/34/69/1082813469.db2.gz HGSAIRHJBMPXPC-UHFFFAOYSA-N 0 3 314.473 3.412 20 30 DGEDHN C=C(C)CN(CCNC(=O)C[C@H](C)c1ccccc1)C1CC1 ZINC001267337095 1082814074 /nfs/dbraw/zinc/81/40/74/1082814074.db2.gz GTNCTSNSJGEIRL-INIZCTEOSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCN(CCNC(=O)CC[C@@H]1CCc2ccccc21)C1CC1 ZINC001267337793 1082816607 /nfs/dbraw/zinc/81/66/07/1082816607.db2.gz IZDPZDHVWMWXAM-KRWDZBQOSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(Cc3ccccc3)C2)CCC1 ZINC001132101405 1082817078 /nfs/dbraw/zinc/81/70/78/1082817078.db2.gz LAPQPWFRALZAQX-MJGOQNOKSA-N 0 3 324.468 3.349 20 30 DGEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CC=C(C)C)C2)CCC1 ZINC001132102510 1082817271 /nfs/dbraw/zinc/81/72/71/1082817271.db2.gz WSSHYJCFGOHINU-IRXDYDNUSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CC2(c3ccccc3)CC2)CC[C@H]1C ZINC001132090353 1082818716 /nfs/dbraw/zinc/81/87/16/1082818716.db2.gz GTIALYRPGGROHU-AEFFLSMTSA-N 0 3 312.457 3.263 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C/C=C/c2ccc(F)cc2)CC[C@H]1C ZINC001132128451 1082823325 /nfs/dbraw/zinc/82/33/25/1082823325.db2.gz LYXAETRMNSUFPK-CHABLROBSA-N 0 3 316.420 3.384 20 30 DGEDHN C#CCCCC(=O)N(C)CCN[C@@H](CC)c1ccc(F)cc1F ZINC001267366380 1082836774 /nfs/dbraw/zinc/83/67/74/1082836774.db2.gz FFWUBDVPBWQQRL-KRWDZBQOSA-N 0 3 322.399 3.267 20 30 DGEDHN C=CCN[C@H](CNC(=O)C[C@H](C)C(F)(F)F)c1ccccc1 ZINC001267370938 1082840530 /nfs/dbraw/zinc/84/05/30/1082840530.db2.gz UNSBTJXLQWGUHQ-GXTWGEPZSA-N 0 3 314.351 3.208 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211621889 1082844562 /nfs/dbraw/zinc/84/45/62/1082844562.db2.gz FLMGHBZKOPPVAI-FFZOFVMBSA-N 0 3 324.468 3.030 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCOCCCC)C1 ZINC001132221156 1082846082 /nfs/dbraw/zinc/84/60/82/1082846082.db2.gz CLOZDICBSKKFKQ-SJORKVTESA-N 0 3 324.509 3.375 20 30 DGEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C)CCCCC2)CC[C@@H]1C ZINC001132265838 1082861891 /nfs/dbraw/zinc/86/18/91/1082861891.db2.gz UDEBGQCXJIYTAZ-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCOC(C)C)C2)CCC1 ZINC001132283384 1082865911 /nfs/dbraw/zinc/86/59/11/1082865911.db2.gz WRQHCTJYDPQEFO-DLBZAZTESA-N 0 3 322.493 3.127 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001267409992 1082869667 /nfs/dbraw/zinc/86/96/67/1082869667.db2.gz LSTQWVOPKQRAIP-KDURUIRLSA-N 0 3 312.457 3.261 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)c2nccs2)CC[C@H]1C ZINC001132375579 1082894500 /nfs/dbraw/zinc/89/45/00/1082894500.db2.gz FSKZKXVFDLXORL-HUUCEWRRSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(F)cc2F)CC[C@@H]1C ZINC001132392251 1082896309 /nfs/dbraw/zinc/89/63/09/1082896309.db2.gz HKVCBEVOGYFKLQ-BBRMVZONSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCCCCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132398551 1082899031 /nfs/dbraw/zinc/89/90/31/1082899031.db2.gz FDZMEFSYFKYLTG-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CCCCC1 ZINC001087269873 1082916213 /nfs/dbraw/zinc/91/62/13/1082916213.db2.gz QEBRCKAYSTZFFL-NZSAHSFTSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2F)CC[C@@H]1C ZINC001132481389 1082922174 /nfs/dbraw/zinc/92/21/74/1082922174.db2.gz FBLPRCFRBJQRBP-RDJZCZTQSA-N 0 3 318.436 3.304 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)CCc2cc(F)ccc2F)CC[C@@H]1C ZINC001132524791 1082933942 /nfs/dbraw/zinc/93/39/42/1082933942.db2.gz LKURRPVJRNXWDU-BBRMVZONSA-N 0 3 322.399 3.053 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001267482496 1082937932 /nfs/dbraw/zinc/93/79/32/1082937932.db2.gz TULKMXBXAAKCLU-MSOLQXFVSA-N 0 3 316.420 3.033 20 30 DGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132569655 1082948287 /nfs/dbraw/zinc/94/82/87/1082948287.db2.gz VZYUXSCTQWEWAE-NWDGAFQWSA-N 0 3 312.816 3.143 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132569594 1082948319 /nfs/dbraw/zinc/94/83/19/1082948319.db2.gz UWVAYSYVAVOJCW-CABCVRRESA-N 0 3 317.477 3.177 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001132653073 1082967945 /nfs/dbraw/zinc/96/79/45/1082967945.db2.gz DMOAHMCBNAIMBV-OAHLLOKOSA-N 0 3 317.477 3.322 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001132654163 1082968744 /nfs/dbraw/zinc/96/87/44/1082968744.db2.gz ZVNUHBZBSZMFEY-ZDUSSCGKSA-N 0 3 324.852 3.157 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001132653743 1082968875 /nfs/dbraw/zinc/96/88/75/1082968875.db2.gz RDJSQMCNNHOAOH-LBPRGKRZSA-N 0 3 312.816 3.287 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1 ZINC001267518315 1082977458 /nfs/dbraw/zinc/97/74/58/1082977458.db2.gz VFTFYWIUIHKACS-ZTFGCOKTSA-N 0 3 300.446 3.399 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(C)c(C)c1 ZINC001087316925 1082988270 /nfs/dbraw/zinc/98/82/70/1082988270.db2.gz ZKKDXTWSWUKAOV-CEXWTWQISA-N 0 3 324.468 3.155 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001267546560 1083015685 /nfs/dbraw/zinc/01/56/85/1083015685.db2.gz AKQWSDFUDQMHOD-INIZCTEOSA-N 0 3 303.450 3.134 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)s1)C2 ZINC001111519732 1083017676 /nfs/dbraw/zinc/01/76/76/1083017676.db2.gz BKFJGCKAQCWIRQ-OIISXLGYSA-N 0 3 318.486 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001480993252 1083066155 /nfs/dbraw/zinc/06/61/55/1083066155.db2.gz SDHBCRKJIWRNKM-UHFFFAOYSA-N 0 3 306.425 3.284 20 30 DGEDHN C[Si](C)(C)C#Cc1ccc(-n2nc(CN)c3ccccc32)nc1 ZINC001167695663 1083079326 /nfs/dbraw/zinc/07/93/26/1083079326.db2.gz NXNHGSYQOYAVHQ-UHFFFAOYSA-N 0 3 320.472 3.108 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(CC)s1)C2 ZINC001098483039 1083081547 /nfs/dbraw/zinc/08/15/47/1083081547.db2.gz MMKNSUIGGIDMET-MCIONIFRSA-N 0 3 319.474 3.007 20 30 DGEDHN C=C1CCC(C(=O)NCCN[C@H](C)c2cccc(F)c2)CC1 ZINC001133375861 1083106476 /nfs/dbraw/zinc/10/64/76/1083106476.db2.gz MDKTUPLJPKJEQY-CQSZACIVSA-N 0 3 304.409 3.339 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccccc1OC(C)C ZINC001133378563 1083109514 /nfs/dbraw/zinc/10/95/14/1083109514.db2.gz GZRMPWACEQHHEC-IBGZPJMESA-N 0 3 318.461 3.282 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001133380812 1083110502 /nfs/dbraw/zinc/11/05/02/1083110502.db2.gz PFQYYINBRXUSKQ-YVEFUNNKSA-N 0 3 310.388 3.334 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCCCC ZINC001133389641 1083113926 /nfs/dbraw/zinc/11/39/26/1083113926.db2.gz ZAFZYQUHOUJEPA-UHFFFAOYSA-N 0 3 320.864 3.472 20 30 DGEDHN C#CCCCC(=O)N(CCNCCF)Cc1cccc(Cl)c1 ZINC001133396264 1083115014 /nfs/dbraw/zinc/11/50/14/1083115014.db2.gz ZGMNYFFFSDXZIP-UHFFFAOYSA-N 0 3 324.827 3.031 20 30 DGEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)C(C)C ZINC001133405505 1083115981 /nfs/dbraw/zinc/11/59/81/1083115981.db2.gz AZPNROBRRARCII-OAHLLOKOSA-N 0 3 320.864 3.184 20 30 DGEDHN C[Si](C)(C)C#Cc1ccc(-n2nc(CN)c3ccccc32)cn1 ZINC001167701740 1083116981 /nfs/dbraw/zinc/11/69/81/1083116981.db2.gz UATXQWFTLDKUNF-UHFFFAOYSA-N 0 3 320.472 3.108 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001481052580 1083136809 /nfs/dbraw/zinc/13/68/09/1083136809.db2.gz NKJCDMDABWZJEU-KRWDZBQOSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC[C@H]1CCc2ccccc21 ZINC001481071421 1083149213 /nfs/dbraw/zinc/14/92/13/1083149213.db2.gz NLAJORWEBJMIOW-QZTJIDSGSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2sc(C)nc2C)C1 ZINC001481094795 1083165554 /nfs/dbraw/zinc/16/55/54/1083165554.db2.gz BEMLKNQQWBUYPG-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN CCC(CC)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133767896 1083193904 /nfs/dbraw/zinc/19/39/04/1083193904.db2.gz BLZQDUACPYMDFE-HUUCEWRRSA-N 0 3 315.461 3.367 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001133884635 1083206123 /nfs/dbraw/zinc/20/61/23/1083206123.db2.gz RWAHQXRMRFORIV-NEPJUHHUSA-N 0 3 309.479 3.099 20 30 DGEDHN C=CCCC(=O)NCCN(Cc1cc(C)cc(C)c1)C1CC1 ZINC001481160632 1083217930 /nfs/dbraw/zinc/21/79/30/1083217930.db2.gz KRHGVYGTCRHTTC-UHFFFAOYSA-N 0 3 300.446 3.350 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1c(F)cccc1F)C1CC1 ZINC001481176255 1083224679 /nfs/dbraw/zinc/22/46/79/1083224679.db2.gz BJILZLJWVOMFND-CYBMUJFWSA-N 0 3 322.399 3.225 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](c1ccccc1)C1CC1)C1CC1 ZINC001481177782 1083226035 /nfs/dbraw/zinc/22/60/35/1083226035.db2.gz KJWQCSVBNGDHQN-LJQANCHMSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ncoc2CC)C1 ZINC001267623243 1083226427 /nfs/dbraw/zinc/22/64/27/1083226427.db2.gz HYVIUUNNOQPZSO-HNNXBMFYSA-N 0 3 319.449 3.178 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cccc(C2CC2)c1)C1CC1 ZINC001481179000 1083226559 /nfs/dbraw/zinc/22/65/59/1083226559.db2.gz NNEQFALGMGGUFW-UHFFFAOYSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN(CCNC(=O)c1c(C)cc(F)cc1C)C1CC1 ZINC001481180025 1083226845 /nfs/dbraw/zinc/22/68/45/1083226845.db2.gz QNJLEIXBCRTEHD-UHFFFAOYSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001087379531 1083231219 /nfs/dbraw/zinc/23/12/19/1083231219.db2.gz FZVZMBKTIHWAAH-AXNVGVCCSA-N 0 3 322.880 3.120 20 30 DGEDHN CC(C)=C(F)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134081603 1083238875 /nfs/dbraw/zinc/23/88/75/1083238875.db2.gz IQACXTKTKWHURF-KGLIPLIRSA-N 0 3 317.408 3.195 20 30 DGEDHN C[C@H](C[C@H](C)NC(=O)C=C1CCC1)NCc1ccccc1C#N ZINC001134113751 1083242680 /nfs/dbraw/zinc/24/26/80/1083242680.db2.gz FLPDJJRWGHSWMK-CABCVRRESA-N 0 3 311.429 3.041 20 30 DGEDHN C[C@H](C[C@@H](C)NC(=O)C1=CCCC1)NCc1ccccc1C#N ZINC001134122240 1083245548 /nfs/dbraw/zinc/24/55/48/1083245548.db2.gz BBVUVTCRQRRUCV-HUUCEWRRSA-N 0 3 311.429 3.041 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001267680582 1083260909 /nfs/dbraw/zinc/26/09/09/1083260909.db2.gz QAMWVEARGBHCFX-MRXNPFEDSA-N 0 3 312.457 3.154 20 30 DGEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)CC(C)(C)C ZINC001134258427 1083264528 /nfs/dbraw/zinc/26/45/28/1083264528.db2.gz HUKVKYUWYUSVFB-OAHLLOKOSA-N 0 3 315.461 3.226 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001267693324 1083268321 /nfs/dbraw/zinc/26/83/21/1083268321.db2.gz APPWGIIMBRAYND-SFHVURJKSA-N 0 3 312.457 3.324 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1 ZINC001267709106 1083275858 /nfs/dbraw/zinc/27/58/58/1083275858.db2.gz PDGDESPDWURULE-OALUTQOASA-N 0 3 312.457 3.261 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C[C@H](C)NCc1nccs1 ZINC001134418422 1083286705 /nfs/dbraw/zinc/28/67/05/1083286705.db2.gz KFUYAHVLBLOODA-UONOGXRCSA-N 0 3 321.490 3.284 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134470168 1083294531 /nfs/dbraw/zinc/29/45/31/1083294531.db2.gz NWWIMVWFSOMWSA-STQMWFEESA-N 0 3 309.479 3.181 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001134475960 1083298147 /nfs/dbraw/zinc/29/81/47/1083298147.db2.gz KOSWHAOIQBRMBT-STQMWFEESA-N 0 3 307.438 3.021 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001267749691 1083317005 /nfs/dbraw/zinc/31/70/05/1083317005.db2.gz MTEMLZFRXXTNQG-ZWKOTPCHSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C[C@H](C)OC)C2)CCCCC1 ZINC001267777286 1083340652 /nfs/dbraw/zinc/34/06/52/1083340652.db2.gz MMHTYNRILDFBMU-DLBZAZTESA-N 0 3 322.493 3.081 20 30 DGEDHN CC[C@H](CNC(=O)[C@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001267809772 1083359377 /nfs/dbraw/zinc/35/93/77/1083359377.db2.gz RVLKSQQSBRYKTB-RTBURBONSA-N 0 3 324.468 3.103 20 30 DGEDHN CC[C@@H](CNC(=O)CC(C)=C(C)C)NCc1ccc(C#N)s1 ZINC001267816762 1083372251 /nfs/dbraw/zinc/37/22/51/1083372251.db2.gz YOUZXVQTTQEGGF-AWEZNQCLSA-N 0 3 319.474 3.351 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001267853185 1083450494 /nfs/dbraw/zinc/45/04/94/1083450494.db2.gz MGEMGWKQWFHTTC-BXUZGUMPSA-N 0 3 320.811 3.049 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccn(C)c2)CCCC[C@H]1C ZINC001267866200 1083480052 /nfs/dbraw/zinc/48/00/52/1083480052.db2.gz KECOXAVFXTVRJH-CXAGYDPISA-N 0 3 323.868 3.046 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)C#CC(C)C)CCCC[C@@H]1C ZINC001267865982 1083481529 /nfs/dbraw/zinc/48/15/29/1083481529.db2.gz HAYKVVCOSRLSBQ-WMLDXEAASA-N 0 3 310.869 3.053 20 30 DGEDHN C=CCCC(=O)N[C@]1(CNCc2ocnc2C)CCCC[C@H]1C ZINC001267869943 1083489611 /nfs/dbraw/zinc/48/96/11/1083489611.db2.gz YIZOXTOHIBVJJT-KDOFPFPSSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2ocnc2C)CCCC[C@@H]1C ZINC001267869942 1083489665 /nfs/dbraw/zinc/48/96/65/1083489665.db2.gz YIZOXTOHIBVJJT-KBXCAEBGSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(Cl)c(OC)c2)C1 ZINC001181517236 1083492930 /nfs/dbraw/zinc/49/29/30/1083492930.db2.gz JZQKEVNLINVJEA-CQSZACIVSA-N 0 3 322.836 3.005 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](CCNCc2nc(C)cs2)C1 ZINC001267882655 1083512315 /nfs/dbraw/zinc/51/23/15/1083512315.db2.gz UEQORNWECOFRKZ-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001267891185 1083523885 /nfs/dbraw/zinc/52/38/85/1083523885.db2.gz JYPFIDHEYAHQAD-WCVJEAGWSA-N 0 3 310.869 3.003 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(F)c(C)c2)cc1 ZINC001267938696 1083605062 /nfs/dbraw/zinc/60/50/62/1083605062.db2.gz GOOSMRXIDNJXGQ-UHFFFAOYSA-N 0 3 324.399 3.177 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001182221173 1083655415 /nfs/dbraw/zinc/65/54/15/1083655415.db2.gz YKBWNACOUPAGIY-HUUCEWRRSA-N 0 3 318.848 3.395 20 30 DGEDHN CCCCN(CC)[C@H](C(=O)NCCCS)c1ccccc1 ZINC001182238699 1083659031 /nfs/dbraw/zinc/65/90/31/1083659031.db2.gz ZJMJOITXQURCMA-INIZCTEOSA-N 0 3 308.491 3.286 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)no1)C2 ZINC001110279002 1083686110 /nfs/dbraw/zinc/68/61/10/1083686110.db2.gz MNKTXBBWZPHPQR-OAGGEKHMSA-N 0 3 317.433 3.065 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001182471715 1083731430 /nfs/dbraw/zinc/73/14/30/1083731430.db2.gz UIMUTGZQBGIZIW-INIZCTEOSA-N 0 3 300.446 3.039 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151259520 1083778883 /nfs/dbraw/zinc/77/88/83/1083778883.db2.gz SXXILGSSEXWFKU-SJORKVTESA-N 0 3 322.493 3.008 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccc(F)c1)c1ccccc1 ZINC001481362802 1083823108 /nfs/dbraw/zinc/82/31/08/1083823108.db2.gz VMDBIUHDYASFBR-SFHVURJKSA-N 0 3 312.388 3.463 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2csc3cc(C)ccc23)C1 ZINC001182867781 1083823514 /nfs/dbraw/zinc/82/35/14/1083823514.db2.gz NJHYRJGOMSOBOP-CQSZACIVSA-N 0 3 312.438 3.037 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1CCC1(F)F)c1ccccc1 ZINC001481365914 1083825648 /nfs/dbraw/zinc/82/56/48/1083825648.db2.gz TZTPUTYYNCIQPV-CABCVRRESA-N 0 3 308.372 3.055 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)c1csnc1C)c1ccccc1 ZINC001481366479 1083827902 /nfs/dbraw/zinc/82/79/02/1083827902.db2.gz VQGKIHQVHJEFOU-MRXNPFEDSA-N 0 3 315.442 3.088 20 30 DGEDHN CC(C)P(CCNC(=O)COc1ccc(C#N)cc1)C(C)C ZINC001182919997 1083829165 /nfs/dbraw/zinc/82/91/65/1083829165.db2.gz FQIQOAMWJXDOCS-UHFFFAOYSA-N 0 3 320.373 3.352 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 ZINC001481374333 1083834481 /nfs/dbraw/zinc/83/44/81/1083834481.db2.gz MDTFGAQZCMMHEN-HWMSQKFYSA-N 0 3 312.457 3.446 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001182897828 1083835668 /nfs/dbraw/zinc/83/56/68/1083835668.db2.gz GHGQZDVYHHKZOA-CQSZACIVSA-N 0 3 321.490 3.053 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001182932821 1083847904 /nfs/dbraw/zinc/84/79/04/1083847904.db2.gz LFJPPWWRYRDNEL-MRXNPFEDSA-N 0 3 312.413 3.480 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001481406406 1083877125 /nfs/dbraw/zinc/87/71/25/1083877125.db2.gz IRLVUPDVLFRXDJ-OKZBNKHCSA-N 0 3 304.478 3.312 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccccc2CC(C)(C)C)C1 ZINC001183516543 1083955600 /nfs/dbraw/zinc/95/56/00/1083955600.db2.gz LUBPQPOORABSDV-QGZVFWFLSA-N 0 3 312.457 3.103 20 30 DGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001110334265 1083960324 /nfs/dbraw/zinc/96/03/24/1083960324.db2.gz GDZXGAUWTKSJIN-KFWWJZLASA-N 0 3 321.490 3.449 20 30 DGEDHN CCc1cc(NC(=O)C23CCCN2CCC3)cc(CC)c1C#N ZINC001183556338 1083969889 /nfs/dbraw/zinc/96/98/89/1083969889.db2.gz DWZFULXURZFGRF-UHFFFAOYSA-N 0 3 311.429 3.250 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001481488566 1084005339 /nfs/dbraw/zinc/00/53/39/1084005339.db2.gz UNRHYMUMKPEISP-FQEVSTJZSA-N 0 3 324.468 3.175 20 30 DGEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1cc2ccccc2o1 ZINC001268059504 1084068170 /nfs/dbraw/zinc/06/81/70/1084068170.db2.gz NVSTVSRIUXPDSL-HNNXBMFYSA-N 0 3 312.413 3.173 20 30 DGEDHN C#Cc1ccc(CN(C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 ZINC001184013002 1084088804 /nfs/dbraw/zinc/08/88/04/1084088804.db2.gz REPPKBCYQIYGDO-QGZVFWFLSA-N 0 3 314.429 3.109 20 30 DGEDHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293500 1084155932 /nfs/dbraw/zinc/15/59/32/1084155932.db2.gz VZDTURYVENZQTI-QGZVFWFLSA-N 0 3 304.434 3.100 20 30 DGEDHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293500 1084155934 /nfs/dbraw/zinc/15/59/34/1084155934.db2.gz VZDTURYVENZQTI-QGZVFWFLSA-N 0 3 304.434 3.100 20 30 DGEDHN N#C[C@H]1CC[C@H](Nc2cccc3cc([C@@H]4CNCCO4)cn32)CC1 ZINC001167844698 1084199185 /nfs/dbraw/zinc/19/91/85/1084199185.db2.gz KKXNVHXTTGUKIF-ZVZYQTTQSA-N 0 3 324.428 3.094 20 30 DGEDHN C=CCCCN1CCCC[C@]12CC(=O)N(Cc1ccncc1)C2 ZINC001273487120 1084199441 /nfs/dbraw/zinc/19/94/41/1084199441.db2.gz DGWXCCBWFHJNOX-LJQANCHMSA-N 0 3 313.445 3.005 20 30 DGEDHN Cc1c(Cl)cccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001184663387 1084238510 /nfs/dbraw/zinc/23/85/10/1084238510.db2.gz RQDASCOVGSIUPL-CYBMUJFWSA-N 0 3 322.817 3.454 20 30 DGEDHN CC(C)=CC(=O)N1CCC[C@@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001268182129 1084293923 /nfs/dbraw/zinc/29/39/23/1084293923.db2.gz UBEJGSHXFSKMDJ-QUCCMNQESA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001185056382 1084323849 /nfs/dbraw/zinc/32/38/49/1084323849.db2.gz LLOHBHOJQQOUML-CXAGYDPISA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001185063645 1084326809 /nfs/dbraw/zinc/32/68/09/1084326809.db2.gz DUYKPPCMAZZKJT-UKRRQHHQSA-N 0 3 322.399 3.258 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001185063563 1084326848 /nfs/dbraw/zinc/32/68/48/1084326848.db2.gz CTVWIPPZFLVFQN-UKRRQHHQSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1c(C)noc1C)C(C)C ZINC001268215993 1084339523 /nfs/dbraw/zinc/33/95/23/1084339523.db2.gz FKTDIURYYUPQAL-WMZOPIPTSA-N 0 3 321.465 3.124 20 30 DGEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001273500028 1084392374 /nfs/dbraw/zinc/39/23/74/1084392374.db2.gz HACNEAFWXHDZRJ-INIZCTEOSA-N 0 3 300.393 3.065 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001268258828 1084424366 /nfs/dbraw/zinc/42/43/66/1084424366.db2.gz GTSMLVASYQXFHY-UHFFFAOYSA-N 0 3 312.457 3.075 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001481679546 1084471977 /nfs/dbraw/zinc/47/19/77/1084471977.db2.gz IIOUDOJXUXLGMC-CADBVGFASA-N 0 3 316.489 3.454 20 30 DGEDHN C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)CC(C)(C)C ZINC001268346339 1084513980 /nfs/dbraw/zinc/51/39/80/1084513980.db2.gz PQKCJIZGMSLFLY-CYBMUJFWSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1c(C)onc1CC ZINC001268388709 1084549871 /nfs/dbraw/zinc/54/98/71/1084549871.db2.gz FMCGTBLFJUOLLW-ZDUSSCGKSA-N 0 3 321.465 3.132 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ccn(C(C)C)n1 ZINC001268389785 1084550884 /nfs/dbraw/zinc/55/08/84/1084550884.db2.gz RBODJFUFTLFIMM-OAHLLOKOSA-N 0 3 320.481 3.051 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001481750552 1084575695 /nfs/dbraw/zinc/57/56/95/1084575695.db2.gz OMTSVFAPQUJIAC-MOPGFXCFSA-N 0 3 312.457 3.126 20 30 DGEDHN CC#CCN[C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1c1ccccc1 ZINC001211732689 1084617397 /nfs/dbraw/zinc/61/73/97/1084617397.db2.gz UYFGDAJSXWWPTG-FFZOFVMBSA-N 0 3 324.468 3.030 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001110378737 1084628316 /nfs/dbraw/zinc/62/83/16/1084628316.db2.gz FCPYCRHCBMHUJR-QRQLOZEOSA-N 0 3 323.440 3.356 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)N[C@H]1CCCc2ccccc21 ZINC001186481284 1084653876 /nfs/dbraw/zinc/65/38/76/1084653876.db2.gz ISBOMKUMLZHERX-WMZOPIPTSA-N 0 3 313.445 3.014 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001481856508 1084672760 /nfs/dbraw/zinc/67/27/60/1084672760.db2.gz HCFWLCSMTGZRMN-SFHVURJKSA-N 0 3 312.457 3.125 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001268470747 1084677450 /nfs/dbraw/zinc/67/74/50/1084677450.db2.gz FRRXUVKKYBXSTO-SOFYXZRVSA-N 0 3 311.429 3.019 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)c2ccco2)CCCC1 ZINC001481904835 1084695889 /nfs/dbraw/zinc/69/58/89/1084695889.db2.gz UAQHMVKGUAODLQ-CYBMUJFWSA-N 0 3 310.825 3.154 20 30 DGEDHN CSc1ccccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001186720605 1084697174 /nfs/dbraw/zinc/69/71/74/1084697174.db2.gz DMQXPUZQUAOUNH-LBPRGKRZSA-N 0 3 320.439 3.215 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211779685 1084742360 /nfs/dbraw/zinc/74/23/60/1084742360.db2.gz KPNPCOGLZBNEAT-QZTJIDSGSA-N 0 3 318.461 3.086 20 30 DGEDHN CC#CCN[C@@H]1CCN(C(=O)CC(C)(C)C2CCCCC2)C1 ZINC001187083676 1084755208 /nfs/dbraw/zinc/75/52/08/1084755208.db2.gz KVFZIDXMDBMGTQ-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)NC/C=C\CN[C@@H]1CCCc2ccc(F)cc21 ZINC001268521964 1084781984 /nfs/dbraw/zinc/78/19/84/1084781984.db2.gz GQJCEOUICLCIHI-PYTPGESOSA-N 0 3 316.420 3.431 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)c2ccc(C)o2)cc1 ZINC001482033991 1084786379 /nfs/dbraw/zinc/78/63/79/1084786379.db2.gz SQMAEAKRRJDNAY-MRXNPFEDSA-N 0 3 324.424 3.121 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC001482034733 1084786603 /nfs/dbraw/zinc/78/66/03/1084786603.db2.gz ZCIWJGKBSNFQFF-INIZCTEOSA-N 0 3 314.473 3.488 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC)CCCCC2)[C@@H]1C ZINC001284156546 1084793007 /nfs/dbraw/zinc/79/30/07/1084793007.db2.gz YLUAQNDYIHGUDB-IRXDYDNUSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001482053138 1084803960 /nfs/dbraw/zinc/80/39/60/1084803960.db2.gz HWQAJORWEACWAK-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN CC1(C)CC[C@H]1C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001482061718 1084810752 /nfs/dbraw/zinc/81/07/52/1084810752.db2.gz LOTGQBQNLAZJHP-MOPGFXCFSA-N 0 3 324.468 3.055 20 30 DGEDHN Cc1cccc(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)c1 ZINC001268720025 1084977110 /nfs/dbraw/zinc/97/71/10/1084977110.db2.gz FHDWUMIYEFYUGT-MRXNPFEDSA-N 0 3 321.424 3.117 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001268730824 1084994461 /nfs/dbraw/zinc/99/44/61/1084994461.db2.gz WLDDPKOLGZFFLF-AWEZNQCLSA-N 0 3 306.837 3.080 20 30 DGEDHN C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001268767364 1085044472 /nfs/dbraw/zinc/04/44/72/1085044472.db2.gz PDSTUHKRBLYPRX-WBVHZDCISA-N 0 3 316.445 3.237 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001268792862 1085053680 /nfs/dbraw/zinc/05/36/80/1085053680.db2.gz FBRYFDCQGXKBAS-UHFFFAOYSA-N 0 3 323.868 3.183 20 30 DGEDHN CC#CCCCC(=O)N(C)CCCNCc1cc(F)ccc1F ZINC001268810168 1085058649 /nfs/dbraw/zinc/05/86/49/1085058649.db2.gz BJFVLLFYWQGZNK-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001268874216 1085072299 /nfs/dbraw/zinc/07/22/99/1085072299.db2.gz HHFMVIFQOZSFBI-FQEVSTJZSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccco1 ZINC001268922707 1085080533 /nfs/dbraw/zinc/08/05/33/1085080533.db2.gz UBDPSPQESOBVFO-IRXDYDNUSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccccc12 ZINC001268951933 1085086033 /nfs/dbraw/zinc/08/60/33/1085086033.db2.gz JYSBXVZEZTYVOQ-GJZGRUSLSA-N 0 3 309.413 3.033 20 30 DGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(F)F)c1 ZINC001268966052 1085088148 /nfs/dbraw/zinc/08/81/48/1085088148.db2.gz XLYXXHVLAVBJFJ-UBHSHLNASA-N 0 3 324.371 3.471 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001268960456 1085089265 /nfs/dbraw/zinc/08/92/65/1085089265.db2.gz RBTXSFZOLFDMHH-NJAFHUGGSA-N 0 3 316.489 3.454 20 30 DGEDHN C#CCCN1CC[C@@H](NC(=O)CCCCCc2cccs2)C1 ZINC001269182832 1085186829 /nfs/dbraw/zinc/18/68/29/1085186829.db2.gz MIBQLSVRVKHCET-MRXNPFEDSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001269241704 1085230493 /nfs/dbraw/zinc/23/04/93/1085230493.db2.gz XDDJOXVOZJASGO-KGLIPLIRSA-N 0 3 314.420 3.215 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCc2ccc(Cl)cc2)C1 ZINC001269251390 1085236558 /nfs/dbraw/zinc/23/65/58/1085236558.db2.gz NEIURTMAVFFGMI-QGZVFWFLSA-N 0 3 320.864 3.381 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001269255238 1085237220 /nfs/dbraw/zinc/23/72/20/1085237220.db2.gz MZNHXDZYIRZULT-CHWSQXEVSA-N 0 3 318.383 3.264 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1ccc(C)cc1C ZINC001269266570 1085249132 /nfs/dbraw/zinc/24/91/32/1085249132.db2.gz FQWZLLGCQKEVKV-IBGZPJMESA-N 0 3 314.473 3.393 20 30 DGEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1cccnc1C#N ZINC001225670788 1085278217 /nfs/dbraw/zinc/27/82/17/1085278217.db2.gz NTELITAXAFTSHN-BEFAXECRSA-N 0 3 307.397 3.243 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001269309201 1085287563 /nfs/dbraw/zinc/28/75/63/1085287563.db2.gz GFXARKRYKAEOEO-INIZCTEOSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1cc(C)ccc1F ZINC001269412179 1085372895 /nfs/dbraw/zinc/37/28/95/1085372895.db2.gz DSKWUIMKTLHYOE-MRXNPFEDSA-N 0 3 306.425 3.475 20 30 DGEDHN CC[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)NCc1ccc(C#N)s1 ZINC001269424359 1085378785 /nfs/dbraw/zinc/37/87/85/1085378785.db2.gz FEKHNRCJABDJPX-OLZOCXBDSA-N 0 3 321.490 3.286 20 30 DGEDHN C=CCN(C)CCN(C(=O)c1nccc2ccsc21)C(C)C ZINC001284538313 1085456540 /nfs/dbraw/zinc/45/65/40/1085456540.db2.gz URZUIFBVDJMJDW-UHFFFAOYSA-N 0 3 317.458 3.265 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)CC2CC(F)(F)C2)CCCC1 ZINC001269559254 1085468213 /nfs/dbraw/zinc/46/82/13/1085468213.db2.gz XNNCHWFWFUWYIW-UHFFFAOYSA-N 0 3 320.811 3.193 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1ccc(C)cc1)C1CC1 ZINC001269622110 1085501038 /nfs/dbraw/zinc/50/10/38/1085501038.db2.gz BBESAFVPCPZAHS-SFHVURJKSA-N 0 3 320.864 3.165 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccccc1CC)C1CC1 ZINC001269633627 1085505003 /nfs/dbraw/zinc/50/50/03/1085505003.db2.gz CHQJGBGNFIVUCR-SFHVURJKSA-N 0 3 320.864 3.490 20 30 DGEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccc[nH]2)CCCC[C@@H]1C ZINC001269658565 1085513207 /nfs/dbraw/zinc/51/32/07/1085513207.db2.gz QTYDHSVIYVMUAI-BLLLJJGKSA-N 0 3 309.841 3.036 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](CCC)CC(C)C)C2)CC1 ZINC001269713709 1085540159 /nfs/dbraw/zinc/54/01/59/1085540159.db2.gz HCBJSCBHDSGRDD-GOSISDBHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001269719597 1085541941 /nfs/dbraw/zinc/54/19/41/1085541941.db2.gz MIHZBMXWXGZDJF-IBGZPJMESA-N 0 3 316.420 3.216 20 30 DGEDHN C=CCCCC(=O)N1CC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001269736946 1085545528 /nfs/dbraw/zinc/54/55/28/1085545528.db2.gz OLUMCTRNNZHOGV-HNNXBMFYSA-N 0 3 318.383 3.220 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3(CC(C)C)CCC3)C2)C1 ZINC001269736183 1085546616 /nfs/dbraw/zinc/54/66/16/1085546616.db2.gz IPYSILADVYJNCX-IBGZPJMESA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CCCC)C(C)C)C2)C1 ZINC001269745160 1085551483 /nfs/dbraw/zinc/55/14/83/1085551483.db2.gz MEXCRRDLRATFHX-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C)cc1 ZINC001270071065 1085679607 /nfs/dbraw/zinc/67/96/07/1085679607.db2.gz KUPBKPLXVRSXDE-VQIMIIECSA-N 0 3 312.457 3.242 20 30 DGEDHN C#CCN(C(=O)CCC(=C)C)C1CCN(Cc2ccccc2)CC1 ZINC001270315318 1085770003 /nfs/dbraw/zinc/77/00/03/1085770003.db2.gz LNUYMDLOISZQHH-UHFFFAOYSA-N 0 3 324.468 3.469 20 30 DGEDHN C=CCC(CC=C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001482287124 1085803345 /nfs/dbraw/zinc/80/33/45/1085803345.db2.gz YCUIIIIGBDQUPM-GOSISDBHSA-N 0 3 324.468 3.243 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001270607888 1085880604 /nfs/dbraw/zinc/88/06/04/1085880604.db2.gz SNTVQJJOOGICLX-GOSISDBHSA-N 0 3 320.864 3.348 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3cccc(F)c3C#N)cc2)CC1 ZINC001204747433 1085936160 /nfs/dbraw/zinc/93/61/60/1085936160.db2.gz WBIRHEIENYNBNK-UHFFFAOYSA-N 0 3 324.403 3.188 20 30 DGEDHN C=CCCC(=O)N1CCC(CNCc2c(F)cccc2F)CC1 ZINC001204748472 1085991986 /nfs/dbraw/zinc/99/19/86/1085991986.db2.gz NEAMXBUHAZGJHG-UHFFFAOYSA-N 0 3 322.399 3.259 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](CC)C(C)C)CC2 ZINC001270863367 1086083421 /nfs/dbraw/zinc/08/34/21/1086083421.db2.gz GLNGGAKFBYQMBY-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001105388779 1086125246 /nfs/dbraw/zinc/12/52/46/1086125246.db2.gz BSSDDAOSFPBXQC-WMZOPIPTSA-N 0 3 316.489 3.149 20 30 DGEDHN CC[C@H](C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001270948723 1086210339 /nfs/dbraw/zinc/21/03/39/1086210339.db2.gz WGQHSEYXURJJCE-JKSUJKDBSA-N 0 3 318.436 3.050 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001270974495 1086227487 /nfs/dbraw/zinc/22/74/87/1086227487.db2.gz PYLIDHMVQOVYQE-QGZVFWFLSA-N 0 3 316.436 3.462 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001270981819 1086229587 /nfs/dbraw/zinc/22/95/87/1086229587.db2.gz CBNQDZMJXONXTG-LJQANCHMSA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(F)ccc2C)C1 ZINC001270982314 1086230168 /nfs/dbraw/zinc/23/01/68/1086230168.db2.gz HULCNMKJERAHIW-GOSISDBHSA-N 0 3 304.409 3.152 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001270990762 1086237426 /nfs/dbraw/zinc/23/74/26/1086237426.db2.gz FQWVCDHARWFEPI-IBGZPJMESA-N 0 3 315.461 3.223 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2coc3ccccc23)C1 ZINC001271017804 1086253369 /nfs/dbraw/zinc/25/33/69/1086253369.db2.gz XDJZVMAVMCFQDI-FQEVSTJZSA-N 0 3 324.424 3.288 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001271075352 1086275308 /nfs/dbraw/zinc/27/53/08/1086275308.db2.gz MJJADUUMNXPDJB-HUUCEWRRSA-N 0 3 306.425 3.365 20 30 DGEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001271083963 1086281544 /nfs/dbraw/zinc/28/15/44/1086281544.db2.gz UCFWFMOCFUAMPW-ZDUSSCGKSA-N 0 3 309.841 3.028 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2scc(C)c2Cl)[C@H]1CC ZINC001087583986 1086316099 /nfs/dbraw/zinc/31/60/99/1086316099.db2.gz HGAQDSBUTHIUNI-QWHCGFSZSA-N 0 3 324.877 3.316 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@H]1CC ZINC001087602443 1086322846 /nfs/dbraw/zinc/32/28/46/1086322846.db2.gz PVQJDDVJDYVFRG-ZWKOTPCHSA-N 0 3 315.461 3.364 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1CC ZINC001087703078 1086366753 /nfs/dbraw/zinc/36/67/53/1086366753.db2.gz HJRCLOZOZGLAHG-QWHCGFSZSA-N 0 3 312.360 3.376 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H]1CC ZINC001087713129 1086375039 /nfs/dbraw/zinc/37/50/39/1086375039.db2.gz UPWCRWSBCZIBHI-LSDHHAIUSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)[C@H]1CC ZINC001087711586 1086378519 /nfs/dbraw/zinc/37/85/19/1086378519.db2.gz MKCJFEGSZZWGJM-JKSUJKDBSA-N 0 3 306.837 3.417 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2F)[C@H]1CC ZINC001087766413 1086402643 /nfs/dbraw/zinc/40/26/43/1086402643.db2.gz XOJSCFZWSVXTRB-XOKHGSTOSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)[C@H]1CC ZINC001087768234 1086403772 /nfs/dbraw/zinc/40/37/72/1086403772.db2.gz RYDHQUIOWSFLLE-YTQUADARSA-N 0 3 312.457 3.262 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)[C@H]1CC ZINC001087821344 1086428580 /nfs/dbraw/zinc/42/85/80/1086428580.db2.gz DRGYHVCHYGKWDY-LSDHHAIUSA-N 0 3 318.486 3.225 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@H]1CC ZINC001087842730 1086440362 /nfs/dbraw/zinc/44/03/62/1086440362.db2.gz IAZLKSCENRAFBZ-RBUKOAKNSA-N 0 3 323.440 3.082 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1CC ZINC001271444505 1086633217 /nfs/dbraw/zinc/63/32/17/1086633217.db2.gz ATANQNXNHULSCU-LJQANCHMSA-N 0 3 324.468 3.209 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001088180355 1086647048 /nfs/dbraw/zinc/64/70/48/1086647048.db2.gz FCCPCBGDAVZBSF-UXHICEINSA-N 0 3 324.468 3.227 20 30 DGEDHN C[C@@H]1CCCN(C(=O)C2CCC2)[C@@H]1CNCC#Cc1ccccc1 ZINC001271688609 1086702501 /nfs/dbraw/zinc/70/25/01/1086702501.db2.gz PVWUPAVRLBZLDU-YLJYHZDGSA-N 0 3 324.468 3.055 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001271812458 1086777818 /nfs/dbraw/zinc/77/78/18/1086777818.db2.gz MKCGQPNJRZHKME-AQNXPRMDSA-N 0 3 324.468 3.064 20 30 DGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2c(C)ccn2C)C1 ZINC001088303473 1086778734 /nfs/dbraw/zinc/77/87/34/1086778734.db2.gz ZYRJFKBVXBOMOX-HNNXBMFYSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2cnc(C)s2)C(C)C)C1 ZINC001271893920 1086812908 /nfs/dbraw/zinc/81/29/08/1086812908.db2.gz RXPCQHKEVIQCQS-HNNXBMFYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H](NCC(=C)Cl)C(C)C)c1ccccc1 ZINC001271940084 1086848611 /nfs/dbraw/zinc/84/86/11/1086848611.db2.gz JICWYEKYSAZCLS-DLBZAZTESA-N 0 3 320.864 3.439 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccn(C)c2C)C1 ZINC001088377454 1086884713 /nfs/dbraw/zinc/88/47/13/1086884713.db2.gz JNKZAGLMBVNMSF-OAHLLOKOSA-N 0 3 323.868 3.060 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccnc(C)c2)C1 ZINC001088402864 1086912329 /nfs/dbraw/zinc/91/23/29/1086912329.db2.gz CXYWJOGQJLMXJF-MRXNPFEDSA-N 0 3 321.852 3.117 20 30 DGEDHN C=CC1(CC(=O)NCCCNCc2cnoc2C)CCCCC1 ZINC001168183076 1087028926 /nfs/dbraw/zinc/02/89/26/1087028926.db2.gz WWTGFDPIESAYOK-UHFFFAOYSA-N 0 3 319.449 3.106 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC001272067382 1087053753 /nfs/dbraw/zinc/05/37/53/1087053753.db2.gz HCGIPXSAPQPHCN-MRXNPFEDSA-N 0 3 320.864 3.336 20 30 DGEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(CCCC)cc1 ZINC001482612624 1087061066 /nfs/dbraw/zinc/06/10/66/1087061066.db2.gz KATNMHRRYHFGRV-UHFFFAOYSA-N 0 3 300.446 3.056 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001168226178 1087063863 /nfs/dbraw/zinc/06/38/63/1087063863.db2.gz XVSPYFISFCLISO-CYBMUJFWSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)C1CCCCC1 ZINC001168226179 1087063897 /nfs/dbraw/zinc/06/38/97/1087063897.db2.gz XVSPYFISFCLISO-ZDUSSCGKSA-N 0 3 300.874 3.441 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CCc2ccccc2C1 ZINC001482645070 1087099642 /nfs/dbraw/zinc/09/96/42/1087099642.db2.gz GNGZHSWYDXEHNI-KRWDZBQOSA-N 0 3 314.473 3.148 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001482652004 1087103187 /nfs/dbraw/zinc/10/31/87/1087103187.db2.gz OHHZOZUGNCQADN-UHFFFAOYSA-N 0 3 300.402 3.321 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)CCC)[C@H](OC)C1 ZINC001212055726 1087145115 /nfs/dbraw/zinc/14/51/15/1087145115.db2.gz UVBFHPYIUBTVSO-BRWVUGGUSA-N 0 3 312.498 3.208 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CCN[C@@H](C)c1c(F)cccc1F ZINC001482817031 1087166328 /nfs/dbraw/zinc/16/63/28/1087166328.db2.gz PBHLQBPVUHEXFO-STQMWFEESA-N 0 3 310.388 3.476 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001272106682 1087204750 /nfs/dbraw/zinc/20/47/50/1087204750.db2.gz XTRKTXHYGMDECQ-IBGZPJMESA-N 0 3 302.462 3.488 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc(Cl)s1 ZINC001272173165 1087228073 /nfs/dbraw/zinc/22/80/73/1087228073.db2.gz XIHQBMKGFBJAQV-UHFFFAOYSA-N 0 3 314.882 3.300 20 30 DGEDHN C[C@@H](NC/C=C/CNC(=O)C#CC1CC1)c1cccc(Cl)c1 ZINC001483007337 1087233112 /nfs/dbraw/zinc/23/31/12/1087233112.db2.gz JPIBTSZKDWWRRP-BAABZTOOSA-N 0 3 316.832 3.076 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C(F)(F)F)s1 ZINC001272186186 1087236484 /nfs/dbraw/zinc/23/64/84/1087236484.db2.gz YSECVVASHCYUKS-UHFFFAOYSA-N 0 3 320.380 3.347 20 30 DGEDHN CC#CCCCC(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001483047601 1087285654 /nfs/dbraw/zinc/28/56/54/1087285654.db2.gz LWVVVZIBXCOBLA-VOTSOKGWSA-N 0 3 318.848 3.296 20 30 DGEDHN C=C1CC(C)(C(=O)NC/C=C\CNCc2cc(F)ccc2C)C1 ZINC001483059213 1087312561 /nfs/dbraw/zinc/31/25/61/1087312561.db2.gz ZWYFCFOXPOVNKO-PLNGDYQASA-N 0 3 316.420 3.252 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(CCCC)cc2)[C@H]1C ZINC001088713026 1087313135 /nfs/dbraw/zinc/31/31/35/1087313135.db2.gz SQHFJDNVSXPQSV-APWZRJJASA-N 0 3 314.473 3.337 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c4c(cccc42)CC3)[C@H]1C ZINC001088728140 1087325417 /nfs/dbraw/zinc/32/54/17/1087325417.db2.gz FUJIAAUSQZWMAR-KUHUBIRLSA-N 0 3 320.436 3.317 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(C)c2Cl)[C@H]1C ZINC001088741965 1087327137 /nfs/dbraw/zinc/32/71/37/1087327137.db2.gz AURROBKCKCQLSW-ZBFHGGJFSA-N 0 3 320.864 3.346 20 30 DGEDHN C=CC1(CC(=O)NC[C@@H]2CN(CCF)C[C@H]2C)CCCCC1 ZINC001102458028 1087351964 /nfs/dbraw/zinc/35/19/64/1087351964.db2.gz ZPTYTXWZSYBPMQ-HZPDHXFCSA-N 0 3 310.457 3.167 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H]1C ZINC001088792959 1087357523 /nfs/dbraw/zinc/35/75/23/1087357523.db2.gz NTXGZLBXWMCTLX-KGLIPLIRSA-N 0 3 306.475 3.181 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)[C@H]1C ZINC001088822898 1087386706 /nfs/dbraw/zinc/38/67/06/1087386706.db2.gz MPVGEMJUAQDLSF-FDPIWHGQSA-N 0 3 312.457 3.118 20 30 DGEDHN CC(C)C#CC(=O)N[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC001483126854 1087387212 /nfs/dbraw/zinc/38/72/12/1087387212.db2.gz XHIBBCZSNJNNFA-ZIAGYGMSSA-N 0 3 306.837 3.155 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC001088826286 1087393316 /nfs/dbraw/zinc/39/33/16/1087393316.db2.gz DQKYYXWAFJYCBD-QAPCUYQASA-N 0 3 300.446 3.408 20 30 DGEDHN C[C@@H](CNCc1ccc(Cl)c(F)c1)NC(=O)C#CC(C)(C)C ZINC001483226043 1087429941 /nfs/dbraw/zinc/42/99/41/1087429941.db2.gz FRFFCYVYAZDHFO-LBPRGKRZSA-N 0 3 324.827 3.123 20 30 DGEDHN C[C@@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C#CC(C)(C)C ZINC001483336868 1087474800 /nfs/dbraw/zinc/47/48/00/1087474800.db2.gz XFOHLBHVBHGCLG-GJZGRUSLSA-N 0 3 318.436 3.373 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@H]1C ZINC001088994882 1087617141 /nfs/dbraw/zinc/61/71/41/1087617141.db2.gz MWICEIFZSXTDII-DOMZBBRYSA-N 0 3 308.372 3.393 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1C ZINC001088999947 1087618380 /nfs/dbraw/zinc/61/83/80/1087618380.db2.gz BQFZRRUUMPCCJH-MOAASNJQSA-N 0 3 316.489 3.358 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)[C@H]1C ZINC001089070306 1087630936 /nfs/dbraw/zinc/63/09/36/1087630936.db2.gz XBPWPEHOXKLAOO-BPAFIMBUSA-N 0 3 312.457 3.046 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001483707942 1087683332 /nfs/dbraw/zinc/68/33/32/1087683332.db2.gz GCSLNZMCQKAOGK-DLBZAZTESA-N 0 3 300.446 3.255 20 30 DGEDHN CCC(CC)CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272419975 1087696993 /nfs/dbraw/zinc/69/69/93/1087696993.db2.gz BHLNNEKHRNCKFU-GOSISDBHSA-N 0 3 305.466 3.183 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001099166271 1087716313 /nfs/dbraw/zinc/71/63/13/1087716313.db2.gz UCBWOEJDKIIXLW-QWHCGFSZSA-N 0 3 320.399 3.368 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001099166272 1087716439 /nfs/dbraw/zinc/71/64/39/1087716439.db2.gz UCBWOEJDKIIXLW-STQMWFEESA-N 0 3 320.399 3.368 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccsc1 ZINC001158461495 1087843554 /nfs/dbraw/zinc/84/35/54/1087843554.db2.gz XBFJPQBPRWTVKC-GOEBONIOSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cn1 ZINC001158473942 1087852995 /nfs/dbraw/zinc/85/29/95/1087852995.db2.gz QZNXVZNSYKQJRL-QGZVFWFLSA-N 0 3 315.461 3.318 20 30 DGEDHN CC/C=C(/C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152188476 1087915619 /nfs/dbraw/zinc/91/56/19/1087915619.db2.gz JWURNFWIFAGAGW-NXADEVLQSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)c(F)c1 ZINC001152313507 1087944137 /nfs/dbraw/zinc/94/41/37/1087944137.db2.gz OXUZIZDKKSCYMD-CYBMUJFWSA-N 0 3 310.388 3.258 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC[C@H](C)CC ZINC001158640859 1087955294 /nfs/dbraw/zinc/95/52/94/1087955294.db2.gz YDKHKKYHIPDXEW-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001168472598 1087972423 /nfs/dbraw/zinc/97/24/23/1087972423.db2.gz YMAKSELGBXVSEP-AWEZNQCLSA-N 0 3 308.853 3.201 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152459435 1087983050 /nfs/dbraw/zinc/98/30/50/1087983050.db2.gz CXIWYTGNTCEEPB-HZPDHXFCSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2ccncc2c1 ZINC001158704757 1087986155 /nfs/dbraw/zinc/98/61/55/1087986155.db2.gz VRZIIVRLDVFGDT-LJQANCHMSA-N 0 3 323.440 3.347 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1oc(CCC)nc1C ZINC001158745010 1088004651 /nfs/dbraw/zinc/00/46/51/1088004651.db2.gz YYRYOXROHDUKEN-OAHLLOKOSA-N 0 3 319.449 3.048 20 30 DGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(Cl)cn1CC ZINC001158866584 1088075414 /nfs/dbraw/zinc/07/54/14/1088075414.db2.gz SEUJYXZGHRBUJQ-OAHLLOKOSA-N 0 3 323.868 3.274 20 30 DGEDHN CC[C@H](C)CC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001153001102 1088134442 /nfs/dbraw/zinc/13/44/42/1088134442.db2.gz NVZHNOSKAQCNGM-JKSUJKDBSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(C)CCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001159014804 1088140510 /nfs/dbraw/zinc/14/05/10/1088140510.db2.gz JFWIQXVIHRKPHY-UHFFFAOYSA-N 0 3 312.816 3.431 20 30 DGEDHN CCCCCCCCOCC(=O)N(C)C[C@H]1CCN1C(C)C ZINC001235391867 1088331233 /nfs/dbraw/zinc/33/12/33/1088331233.db2.gz GYTWYZIUXZRAIV-QGZVFWFLSA-N 0 3 312.498 3.305 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C2CCC2)cc1 ZINC001159401710 1088335817 /nfs/dbraw/zinc/33/58/17/1088335817.db2.gz PSAYMAJASVVEBX-UHFFFAOYSA-N 0 3 306.837 3.416 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001153879588 1088395971 /nfs/dbraw/zinc/39/59/71/1088395971.db2.gz KCASCADECVHDJG-KBAYOESNSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)CC(C)(C)C1 ZINC001089355928 1088446601 /nfs/dbraw/zinc/44/66/01/1088446601.db2.gz RTQMWAQXPQZZIL-KRWDZBQOSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2ccc(F)cc2s1 ZINC001154204994 1088512834 /nfs/dbraw/zinc/51/28/34/1088512834.db2.gz AMHUZZJDNIYRRS-GFCCVEGCSA-N 0 3 318.417 3.114 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(CCCC)cc1 ZINC001154220302 1088521383 /nfs/dbraw/zinc/52/13/83/1088521383.db2.gz IIOPKYNMPQKLFN-MRXNPFEDSA-N 0 3 300.446 3.103 20 30 DGEDHN N#Cc1ccc(Oc2ccc(Nc3ccncc3CN)cc2)cc1 ZINC001159920918 1088550888 /nfs/dbraw/zinc/55/08/88/1088550888.db2.gz VEGZETCYCWGEMC-UHFFFAOYSA-N 0 3 316.364 3.370 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(C(F)F)cc1 ZINC001154284341 1088551429 /nfs/dbraw/zinc/55/14/29/1088551429.db2.gz NYFUUPCDQGTKLD-CQSZACIVSA-N 0 3 322.399 3.017 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1oc2c(cccc2F)c1C ZINC001159938700 1088561796 /nfs/dbraw/zinc/56/17/96/1088561796.db2.gz FYFCAWWPIJKCPU-UHFFFAOYSA-N 0 3 324.783 3.342 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001154509896 1088637579 /nfs/dbraw/zinc/63/75/79/1088637579.db2.gz VTDYUIQWXBIMJF-OAHLLOKOSA-N 0 3 320.864 3.041 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C(\C)CC)[C@H](OC)C1 ZINC001212237501 1088649991 /nfs/dbraw/zinc/64/99/91/1088649991.db2.gz QBEFSGXPJUEWCK-OMYPGEHRSA-N 0 3 310.482 3.129 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)CC(C)(C)C1 ZINC001089477758 1088671983 /nfs/dbraw/zinc/67/19/83/1088671983.db2.gz ZUBIRXNJBHWVFB-KRWDZBQOSA-N 0 3 323.440 3.022 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c(C)cc1Cl ZINC001154609560 1088673258 /nfs/dbraw/zinc/67/32/58/1088673258.db2.gz MRFCNAMKHKPQBY-OAHLLOKOSA-N 0 3 320.864 3.420 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cccc(C)c2F)CC1 ZINC001160207822 1088697743 /nfs/dbraw/zinc/69/77/43/1088697743.db2.gz MOTMVFUCVPKGRH-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC(C)(C)C1 ZINC001089540436 1088724199 /nfs/dbraw/zinc/72/41/99/1088724199.db2.gz VPFMCUBUAXULOS-CEXWTWQISA-N 0 3 324.468 3.030 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)cc2)CC(C)(C)C1 ZINC001089551247 1088739245 /nfs/dbraw/zinc/73/92/45/1088739245.db2.gz FGLOQHPJSKHVGQ-GOSISDBHSA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)CC(C)(C)C1 ZINC001089553619 1088741068 /nfs/dbraw/zinc/74/10/68/1088741068.db2.gz LPEQXEOBQLPSBG-LJQANCHMSA-N 0 3 324.468 3.029 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)CC(C)(C)C1 ZINC001089560958 1088747766 /nfs/dbraw/zinc/74/77/66/1088747766.db2.gz KYCOPWICZBBVBX-LJQANCHMSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)CC(C)(C)C1 ZINC001089566016 1088751900 /nfs/dbraw/zinc/75/19/00/1088751900.db2.gz GEOASQPODHAIKK-IBGZPJMESA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)CC(C)(C)C1 ZINC001089564688 1088752492 /nfs/dbraw/zinc/75/24/92/1088752492.db2.gz AFLJCKABUVSVHF-OHTSDLOESA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)CC(C)(C)C1 ZINC001089566643 1088755680 /nfs/dbraw/zinc/75/56/80/1088755680.db2.gz PVFVMERLDNRAFO-KRWDZBQOSA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001160360420 1088765474 /nfs/dbraw/zinc/76/54/74/1088765474.db2.gz QWYDDQCORJUPCB-UHFFFAOYSA-N 0 3 313.445 3.143 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)CCc2ccsc2)CC1 ZINC001160379900 1088770675 /nfs/dbraw/zinc/77/06/75/1088770675.db2.gz RATMFKOZXSWWPM-UHFFFAOYSA-N 0 3 304.459 3.005 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1 ZINC001089593372 1088782420 /nfs/dbraw/zinc/78/24/20/1088782420.db2.gz IQONRRDJXUMIRT-KRWDZBQOSA-N 0 3 300.446 3.483 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001089607555 1088806172 /nfs/dbraw/zinc/80/61/72/1088806172.db2.gz MVRFJDZNWKXWCX-CYBMUJFWSA-N 0 3 322.836 3.177 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001089634300 1088856105 /nfs/dbraw/zinc/85/61/05/1088856105.db2.gz USHGWORCYKXHEN-MRXNPFEDSA-N 0 3 317.477 3.130 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(F)ccc2CC)CC1 ZINC001160600517 1088891197 /nfs/dbraw/zinc/89/11/97/1088891197.db2.gz MJPCAQXCHSDIJD-UHFFFAOYSA-N 0 3 316.420 3.326 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001160627821 1088896901 /nfs/dbraw/zinc/89/69/01/1088896901.db2.gz GGGUUKIYQFUXDO-UHFFFAOYSA-N 0 3 302.393 3.072 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001483830580 1088933935 /nfs/dbraw/zinc/93/39/35/1088933935.db2.gz PHTLQVLLCCJUJV-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001160804810 1088971376 /nfs/dbraw/zinc/97/13/76/1088971376.db2.gz SWFXDDYPNACVHI-OAHLLOKOSA-N 0 3 312.404 3.136 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001089657114 1089019616 /nfs/dbraw/zinc/01/96/16/1089019616.db2.gz SHQXECNKRAXRRC-KOHRHEQBSA-N 0 3 304.478 3.360 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1nc2c(cc1C#N)CCCC2 ZINC001155256871 1089032854 /nfs/dbraw/zinc/03/28/54/1089032854.db2.gz AIGMTOXCICNOSD-LBPRGKRZSA-N 0 3 317.396 3.191 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1nc(SC)nc2ccsc21 ZINC001160953270 1089038324 /nfs/dbraw/zinc/03/83/24/1089038324.db2.gz ZZMSBDZJQCGRKT-NSHDSACASA-N 0 3 320.487 3.476 20 30 DGEDHN C=CCN1CCC[C@H]1CNc1cc(-c2ccc(F)cc2)ncn1 ZINC001160957158 1089042246 /nfs/dbraw/zinc/04/22/46/1089042246.db2.gz GSORCZLLWODQHO-INIZCTEOSA-N 0 3 312.392 3.345 20 30 DGEDHN CC#CCN1CCC(C)(NC(=O)CCCc2cccs2)CC1 ZINC001483974631 1089062134 /nfs/dbraw/zinc/06/21/34/1089062134.db2.gz LQXSLBUJLKUWIT-UHFFFAOYSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001161007532 1089073070 /nfs/dbraw/zinc/07/30/70/1089073070.db2.gz BAHTWVVJSVIHDU-OAHLLOKOSA-N 0 3 312.404 3.136 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001483994927 1089081034 /nfs/dbraw/zinc/08/10/34/1089081034.db2.gz FSDBMJLHXQADAY-XYCHUQMGSA-N 0 3 324.468 3.269 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(CCC)CC1)C2 ZINC001484021511 1089107262 /nfs/dbraw/zinc/10/72/62/1089107262.db2.gz DENPIIHFXVPOMQ-LJQANCHMSA-N 0 3 316.489 3.295 20 30 DGEDHN Cc1cc(C#N)cc(NC2CCN(Cc3ccc(O)cc3)CC2)n1 ZINC001161137372 1089133163 /nfs/dbraw/zinc/13/31/63/1089133163.db2.gz RQUKQKMZHZSEOU-UHFFFAOYSA-N 0 3 322.412 3.044 20 30 DGEDHN C=CCCCC(=O)N[C@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001484056526 1089145106 /nfs/dbraw/zinc/14/51/06/1089145106.db2.gz AYPJCKMDCNPQFP-LJQANCHMSA-N 0 3 316.445 3.132 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)c2cccs2)CC1 ZINC001161194446 1089151214 /nfs/dbraw/zinc/15/12/14/1089151214.db2.gz HPQYLZPNDXTLRC-HNNXBMFYSA-N 0 3 316.470 3.013 20 30 DGEDHN CCCCCCCCCCN(C)C(=O)[C@@H](N)C1CCOCC1 ZINC001161227101 1089158181 /nfs/dbraw/zinc/15/81/81/1089158181.db2.gz OGNYLCMYPHSQPN-KRWDZBQOSA-N 0 3 312.498 3.339 20 30 DGEDHN N#Cc1c(N[C@H]2CNCc3ccsc32)ncc2c1CCCC2 ZINC001155570425 1089169472 /nfs/dbraw/zinc/16/94/72/1089169472.db2.gz MOHIBRWZGVNECV-HNNXBMFYSA-N 0 3 310.426 3.150 20 30 DGEDHN CCCC[C@@](C)(F)C(=O)NCCCNCc1ccccc1C#N ZINC001161289295 1089177968 /nfs/dbraw/zinc/17/79/68/1089177968.db2.gz PJGNEPJHWWQJRQ-GOSISDBHSA-N 0 3 319.424 3.073 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001161363436 1089213100 /nfs/dbraw/zinc/21/31/00/1089213100.db2.gz BCABCLMGONYXEZ-SFHVURJKSA-N 0 3 304.478 3.220 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(Cl)cs2)CC1 ZINC001161391887 1089224459 /nfs/dbraw/zinc/22/44/59/1089224459.db2.gz YGKCYEPTACLGCZ-UHFFFAOYSA-N 0 3 310.850 3.340 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccsc2Cl)CC1 ZINC001161397617 1089224984 /nfs/dbraw/zinc/22/49/84/1089224984.db2.gz BHBDTGKWVWPZDZ-UHFFFAOYSA-N 0 3 310.850 3.340 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2scnc2C(C)C)CC1 ZINC001161422030 1089234660 /nfs/dbraw/zinc/23/46/60/1089234660.db2.gz FANOPQFAZATAAO-UHFFFAOYSA-N 0 3 319.474 3.205 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001484164313 1089242859 /nfs/dbraw/zinc/24/28/59/1089242859.db2.gz UPKAOSIPURRBKJ-QUCCMNQESA-N 0 3 316.489 3.365 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(CF)cc2)C1 ZINC001484174890 1089272732 /nfs/dbraw/zinc/27/27/32/1089272732.db2.gz NRYVTNOZILQVEM-GOSISDBHSA-N 0 3 304.409 3.174 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@@](C)(CC)CCC)CC1 ZINC001161560169 1089285042 /nfs/dbraw/zinc/28/50/42/1089285042.db2.gz VJDWADPGCKQOSL-IBGZPJMESA-N 0 3 304.478 3.365 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001089725522 1089302368 /nfs/dbraw/zinc/30/23/68/1089302368.db2.gz JEYHGKADIQKLJG-CQSZACIVSA-N 0 3 319.449 3.034 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@H](C)C(C)(F)F)c1ccccc1CC ZINC001484322429 1089332262 /nfs/dbraw/zinc/33/22/62/1089332262.db2.gz DMBDGGHBRGOSEF-XJKSGUPXSA-N 0 3 324.415 3.473 20 30 DGEDHN C#CCCN[C@H](CNC(=O)[C@]1(C)C=CCC1)c1ccccc1CC ZINC001484325035 1089336888 /nfs/dbraw/zinc/33/68/88/1089336888.db2.gz XBCBXPMITDBPPT-TZIWHRDSSA-N 0 3 324.468 3.376 20 30 DGEDHN CN(C)/C=N/c1ccc(N[C@@H](C#N)c2ccccc2)cc1C#N ZINC001161721925 1089369301 /nfs/dbraw/zinc/36/93/01/1089369301.db2.gz WHYPOPGBUOZVSP-LANLRWRYSA-N 0 3 303.369 3.456 20 30 DGEDHN N#Cc1cc(F)cnc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC001161885492 1089455680 /nfs/dbraw/zinc/45/56/80/1089455680.db2.gz STVXWHXMAJBGKZ-KRWDZBQOSA-N 0 3 310.376 3.169 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC001161893641 1089459134 /nfs/dbraw/zinc/45/91/34/1089459134.db2.gz NRSVVEJYINGXPJ-UHFFFAOYSA-N 0 3 316.420 3.381 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC001161925282 1089475297 /nfs/dbraw/zinc/47/52/97/1089475297.db2.gz ZRUGUWIAUPCBPH-IBGZPJMESA-N 0 3 310.441 3.281 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001484546365 1089482747 /nfs/dbraw/zinc/48/27/47/1089482747.db2.gz GLYFXTSMXFIDNI-CABCVRRESA-N 0 3 312.885 3.393 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H](F)C1 ZINC001484554539 1089488447 /nfs/dbraw/zinc/48/84/47/1089488447.db2.gz YREMGZRJQNZTKH-YJBOKZPZSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001161959462 1089492316 /nfs/dbraw/zinc/49/23/16/1089492316.db2.gz SMUHXCKJSZGSRE-ABHNRTSZSA-N 0 3 302.462 3.137 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C)c3c2CCC3)CC1 ZINC001161963391 1089495842 /nfs/dbraw/zinc/49/58/42/1089495842.db2.gz DKRWTQFQOVJKFO-UHFFFAOYSA-N 0 3 324.468 3.422 20 30 DGEDHN C=CCN1CC=C(CCNC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001161968336 1089497420 /nfs/dbraw/zinc/49/74/20/1089497420.db2.gz OUWNQLYCPHTCRU-HOTGVXAUSA-N 0 3 304.478 3.383 20 30 DGEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001161968151 1089498417 /nfs/dbraw/zinc/49/84/17/1089498417.db2.gz IDDPEWVNSUMYKR-GOSISDBHSA-N 0 3 316.489 3.365 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cccn2C(C)C)cc1 ZINC001484563543 1089498602 /nfs/dbraw/zinc/49/86/02/1089498602.db2.gz PNIMTTNFXODJCE-INIZCTEOSA-N 0 3 323.440 3.283 20 30 DGEDHN C=CCC1(C(=O)NCCC2=CCN(CC#CC)CC2)CCCC1 ZINC001162011553 1089523037 /nfs/dbraw/zinc/52/30/37/1089523037.db2.gz GKUSGPFBEHVSRE-UHFFFAOYSA-N 0 3 314.473 3.285 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC001484714403 1089606022 /nfs/dbraw/zinc/60/60/22/1089606022.db2.gz BCHZREUFKDJDLR-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)nc2ccccc21 ZINC001156733756 1089669309 /nfs/dbraw/zinc/66/93/09/1089669309.db2.gz JUVIGRZUZWCORA-MRXNPFEDSA-N 0 3 323.440 3.007 20 30 DGEDHN CN1CCC[C@](C)(Nc2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC001162339794 1089680837 /nfs/dbraw/zinc/68/08/37/1089680837.db2.gz MVQFHFJOMQKYAE-IBGZPJMESA-N 0 3 312.461 3.463 20 30 DGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2c(cccc2F)s1 ZINC001156803125 1089698356 /nfs/dbraw/zinc/69/83/56/1089698356.db2.gz OURMPRDYGUYPAJ-GFCCVEGCSA-N 0 3 318.417 3.114 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@]2(C)CC=CCC2)cc1 ZINC001272690998 1089709552 /nfs/dbraw/zinc/70/95/52/1089709552.db2.gz GQYHLTKFZCLAQK-OXQOHEQNSA-N 0 3 310.441 3.333 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3ccccn3)cc2C1 ZINC001484872970 1089714656 /nfs/dbraw/zinc/71/46/56/1089714656.db2.gz RIRYEOQYRKBOBY-UHFFFAOYSA-N 0 3 321.424 3.293 20 30 DGEDHN C=CCCCN1Cc2ccc(CNC(=O)c3cccnc3)cc2C1 ZINC001484874930 1089718090 /nfs/dbraw/zinc/71/80/90/1089718090.db2.gz OBCZUYPJMISWON-UHFFFAOYSA-N 0 3 321.424 3.293 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C1 ZINC001484889530 1089724341 /nfs/dbraw/zinc/72/43/41/1089724341.db2.gz NKANHAKYDQBIGW-NEPJUHHUSA-N 0 3 319.276 3.344 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(C(F)F)cc1 ZINC001162415566 1089725774 /nfs/dbraw/zinc/72/57/74/1089725774.db2.gz FVRIAOIADRXEDC-UHFFFAOYSA-N 0 3 316.779 3.015 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001484881896 1089726906 /nfs/dbraw/zinc/72/69/06/1089726906.db2.gz GNQQRBCUPNRGDC-QAPCUYQASA-N 0 3 315.461 3.108 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)CCCC2CCCC2)C[C@H]1C ZINC001484988453 1089805862 /nfs/dbraw/zinc/80/58/62/1089805862.db2.gz XDGWGBNLMHHGQO-SJLPKXTDSA-N 0 3 304.478 3.339 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H]1CCCC1(F)F ZINC001484997566 1089816796 /nfs/dbraw/zinc/81/67/96/1089816796.db2.gz HPBAUJNNBXNUKY-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C(C)C)nc1 ZINC001484994080 1089833796 /nfs/dbraw/zinc/83/37/96/1089833796.db2.gz NSGGXJNOUAQSSG-ZDUSSCGKSA-N 0 3 309.841 3.056 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC001485075682 1089924873 /nfs/dbraw/zinc/92/48/73/1089924873.db2.gz NZESFGNQHFDFBY-LJQANCHMSA-N 0 3 312.457 3.288 20 30 DGEDHN C[C@@H](N)c1nc2ccccc2n1-c1nc2ccccc2cc1C#N ZINC001162757860 1089929930 /nfs/dbraw/zinc/92/99/30/1089929930.db2.gz DSLWSDLVEYMGHK-GFCCVEGCSA-N 0 3 313.364 3.465 20 30 DGEDHN C[C@H](N)c1nc2ccccc2n1-c1nc2ccccc2cc1C#N ZINC001162757861 1089930563 /nfs/dbraw/zinc/93/05/63/1089930563.db2.gz DSLWSDLVEYMGHK-LBPRGKRZSA-N 0 3 313.364 3.465 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)CC(F)(F)F ZINC001485078954 1089934277 /nfs/dbraw/zinc/93/42/77/1089934277.db2.gz VEVJLBUQVLNJNU-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC(C)=C(C)C ZINC001162886488 1090006328 /nfs/dbraw/zinc/00/63/28/1090006328.db2.gz DIYMJTUYMNVNLY-UHFFFAOYSA-N 0 3 312.457 3.027 20 30 DGEDHN C=C/C(C)=C/CC(=O)N(CCNCC#CC)CCc1ccccc1 ZINC001162888482 1090007971 /nfs/dbraw/zinc/00/79/71/1090007971.db2.gz VEXFYJIIOPTURM-XDHOZWIPSA-N 0 3 324.468 3.193 20 30 DGEDHN CN(C)Cc1ccnc(N2CCC(C#Cc3ccccc3)CC2)c1 ZINC001157532312 1090013037 /nfs/dbraw/zinc/01/30/37/1090013037.db2.gz WWKLSVDWXIYKKQ-UHFFFAOYSA-N 0 3 319.452 3.411 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNCc1nccs1 ZINC001485258865 1090065866 /nfs/dbraw/zinc/06/58/66/1090065866.db2.gz DWTBLCIHGJKALX-QGZVFWFLSA-N 0 3 323.506 3.320 20 30 DGEDHN CC(C)(C)C#CC(=O)NCCCNCc1cccc(F)c1Cl ZINC001157718400 1090085469 /nfs/dbraw/zinc/08/54/69/1090085469.db2.gz AETHYNRTWBGNDK-UHFFFAOYSA-N 0 3 324.827 3.125 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1cc2ccccc2o1 ZINC001485301529 1090090526 /nfs/dbraw/zinc/09/05/26/1090090526.db2.gz NMORWYNIWDMXRB-HNNXBMFYSA-N 0 3 312.413 3.029 20 30 DGEDHN C[C@H](NCCCNC(=O)C#CC(C)(C)C)c1cc(F)ccc1F ZINC001157736865 1090091998 /nfs/dbraw/zinc/09/19/98/1090091998.db2.gz OEBHQHCNWZQZFJ-ZDUSSCGKSA-N 0 3 322.399 3.171 20 30 DGEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001157774656 1090106693 /nfs/dbraw/zinc/10/66/93/1090106693.db2.gz AGWFPOWFKZNLFG-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN Cc1c(Cl)cnc(N[C@H]2CNCc3ccsc32)c1C#N ZINC001163221406 1090120614 /nfs/dbraw/zinc/12/06/14/1090120614.db2.gz UCKWGRNUPSCLQA-LBPRGKRZSA-N 0 3 304.806 3.233 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H](C)SC)CCCCC1 ZINC001485450357 1090158787 /nfs/dbraw/zinc/15/87/87/1090158787.db2.gz AAJBYZVTKGOAIZ-CYBMUJFWSA-N 0 3 318.914 3.289 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001157981111 1090162709 /nfs/dbraw/zinc/16/27/09/1090162709.db2.gz MPYVEZZMAFQDQL-CHWSQXEVSA-N 0 3 312.866 3.008 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)CCOCCCC ZINC001158011536 1090171931 /nfs/dbraw/zinc/17/19/31/1090171931.db2.gz BTPGLUGNTYUZQY-GOSISDBHSA-N 0 3 324.509 3.472 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001485498924 1090191983 /nfs/dbraw/zinc/19/19/83/1090191983.db2.gz OREHPCGQZKLELN-INIZCTEOSA-N 0 3 300.446 3.206 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCc1cccs1 ZINC001485485272 1090193208 /nfs/dbraw/zinc/19/32/08/1090193208.db2.gz ORRBISJHMBGKNK-MRXNPFEDSA-N 0 3 318.486 3.065 20 30 DGEDHN C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001163487145 1090197181 /nfs/dbraw/zinc/19/71/81/1090197181.db2.gz MKQJZUKAAJZTAS-HNNXBMFYSA-N 0 3 316.445 3.237 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485582359 1090217706 /nfs/dbraw/zinc/21/77/06/1090217706.db2.gz ORXJGRUVEZSSSS-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)(C)C)C[C@@H]2C1 ZINC001485652704 1090227358 /nfs/dbraw/zinc/22/73/58/1090227358.db2.gz DRIWTJHZKGGEDM-RRFJBIMHSA-N 0 3 312.885 3.392 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001485692118 1090243735 /nfs/dbraw/zinc/24/37/35/1090243735.db2.gz JIXGRKKHINPLJU-CTYIDZIISA-N 0 3 324.827 3.293 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)CCCNCc2conc2C)CC1 ZINC001485736070 1090254675 /nfs/dbraw/zinc/25/46/75/1090254675.db2.gz DQYOFSBGRARJHQ-AWEZNQCLSA-N 0 3 319.449 3.104 20 30 DGEDHN C=CCCCC(=O)N1CCC(N(C)Cc2scnc2C)CC1 ZINC001485763640 1090270619 /nfs/dbraw/zinc/27/06/19/1090270619.db2.gz WPMUKCOQRQNOJY-UHFFFAOYSA-N 0 3 321.490 3.231 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1cccc(F)c1F ZINC001163855907 1090274335 /nfs/dbraw/zinc/27/43/35/1090274335.db2.gz UDPJEIOKPPVMNX-UHFFFAOYSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001163950864 1090295688 /nfs/dbraw/zinc/29/56/88/1090295688.db2.gz MADAJNNGAXDHGO-FICVDOATSA-N 0 3 310.869 3.051 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001163971362 1090303480 /nfs/dbraw/zinc/30/34/80/1090303480.db2.gz WXBUGAGFTXANGF-UHFFFAOYSA-N 0 3 312.885 3.297 20 30 DGEDHN C=CCN1CCC2(CCN(Cc3cc(C)ccc3F)CC2)C1=O ZINC001272706843 1090308408 /nfs/dbraw/zinc/30/84/08/1090308408.db2.gz HMZUNXOLQNEFAZ-UHFFFAOYSA-N 0 3 316.420 3.135 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1CCC ZINC001299258133 1090377346 /nfs/dbraw/zinc/37/73/46/1090377346.db2.gz CNRZZWHHGMARJB-ZWKOTPCHSA-N 0 3 300.446 3.164 20 30 DGEDHN CC#CCCCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001164244386 1090384593 /nfs/dbraw/zinc/38/45/93/1090384593.db2.gz BVMJEPKLXYIJJY-UHFFFAOYSA-N 0 3 324.827 3.269 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001164346974 1090407738 /nfs/dbraw/zinc/40/77/38/1090407738.db2.gz ZJMFYXOJZWZWIE-ZDUSSCGKSA-N 0 3 310.388 3.163 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001127764098 1090430496 /nfs/dbraw/zinc/43/04/96/1090430496.db2.gz TWWFCMZDBKPLDJ-LPHOPBHVSA-N 0 3 312.457 3.370 20 30 DGEDHN N#Cc1ccc2c(c1)CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164484961 1090431537 /nfs/dbraw/zinc/43/15/37/1090431537.db2.gz SCEMYCXILZKVFO-UHFFFAOYSA-N 0 3 318.424 3.112 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@@H](C)CCC)C[C@H](C)O2 ZINC001111539431 1090454944 /nfs/dbraw/zinc/45/49/44/1090454944.db2.gz ZDBSEOYFBHKVBA-IRXDYDNUSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCNc1nnc(SCCN2C[C@H](C)C[C@H](C)C2)s1 ZINC001165421854 1090519030 /nfs/dbraw/zinc/51/90/30/1090519030.db2.gz IFDAVIJLDAQAPM-TXEJJXNPSA-N 0 3 312.508 3.206 20 30 DGEDHN C=CCCCC(=O)NCCCNCc1c(Cl)cccc1OC ZINC001165542626 1090529117 /nfs/dbraw/zinc/52/91/17/1090529117.db2.gz HZQOWDYBOXPWIW-UHFFFAOYSA-N 0 3 324.852 3.301 20 30 DGEDHN CCCC(C)(C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001165582360 1090531358 /nfs/dbraw/zinc/53/13/58/1090531358.db2.gz VWHUDTIMQWOLHI-UHFFFAOYSA-N 0 3 319.424 3.120 20 30 DGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001165736580 1090542989 /nfs/dbraw/zinc/54/29/89/1090542989.db2.gz KUVXAGUPRLGHRT-AWEZNQCLSA-N 0 3 310.869 3.195 20 30 DGEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107966670 1090576056 /nfs/dbraw/zinc/57/60/56/1090576056.db2.gz LEUBYXWOTIUGDW-VQIMIIECSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001166327900 1090596717 /nfs/dbraw/zinc/59/67/17/1090596717.db2.gz SJOKHLSNCGLYGO-LBPRGKRZSA-N 0 3 312.816 3.168 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001166541267 1090617654 /nfs/dbraw/zinc/61/76/54/1090617654.db2.gz TZNQEMMHFXSLCP-QGZVFWFLSA-N 0 3 322.880 3.350 20 30 DGEDHN COc1ccc([C@H]2C[C@@H](NCc3cc(C#N)co3)CCO2)cc1 ZINC001168624437 1090634031 /nfs/dbraw/zinc/63/40/31/1090634031.db2.gz OHDVUTPVTUKRQW-MAUKXSAKSA-N 0 3 312.369 3.170 20 30 DGEDHN CC(C)(C)CCCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001128044330 1090634064 /nfs/dbraw/zinc/63/40/64/1090634064.db2.gz MPHAPEDZKFIFIF-UHFFFAOYSA-N 0 3 315.461 3.371 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001166746277 1090650093 /nfs/dbraw/zinc/65/00/93/1090650093.db2.gz FBSHVMOAJSAEDG-MRXNPFEDSA-N 0 3 315.461 3.060 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001167025448 1090697099 /nfs/dbraw/zinc/69/70/99/1090697099.db2.gz GPFGNJRNABTWEP-GOSISDBHSA-N 0 3 315.461 3.060 20 30 DGEDHN CCOCCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC001167037362 1090700227 /nfs/dbraw/zinc/70/02/27/1090700227.db2.gz CHRLGRCRSUHCSC-OAHLLOKOSA-N 0 3 302.418 3.137 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(CC)CCC2)C12CCC2 ZINC001203305347 1090715786 /nfs/dbraw/zinc/71/57/86/1090715786.db2.gz WICPVPUUQHUTJP-KBPBESRZSA-N 0 3 310.869 3.336 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@H]1CCCC12CC2)NCC#Cc1ccccc1 ZINC001485892316 1090720839 /nfs/dbraw/zinc/72/08/39/1090720839.db2.gz OFNQGURRPDINTL-IEBWSBKVSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)CCC1 ZINC001485918698 1090727341 /nfs/dbraw/zinc/72/73/41/1090727341.db2.gz CNYFUSYEKQVENZ-GOSISDBHSA-N 0 3 324.468 3.221 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC2(C)CC2)C12CCC2 ZINC001203569727 1090758531 /nfs/dbraw/zinc/75/85/31/1090758531.db2.gz DPOMARUXVKFPIP-UONOGXRCSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001276413837 1090764133 /nfs/dbraw/zinc/76/41/33/1090764133.db2.gz ITBDCRFRXSCNFO-CABCVRRESA-N 0 3 300.446 3.396 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCC(C)(C)C)CCC[C@H]12 ZINC001486150326 1090765204 /nfs/dbraw/zinc/76/52/04/1090765204.db2.gz XIAGXBPFVKGFMP-LPHOPBHVSA-N 0 3 304.478 3.339 20 30 DGEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@@H]1C ZINC001486175056 1090775292 /nfs/dbraw/zinc/77/52/92/1090775292.db2.gz BDBBDQVQFKIRGP-IRXDYDNUSA-N 0 3 304.478 3.195 20 30 DGEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H]1C ZINC001486185157 1090781980 /nfs/dbraw/zinc/78/19/80/1090781980.db2.gz FCJTUIKEJTWQGK-JKSUJKDBSA-N 0 3 306.494 3.441 20 30 DGEDHN N=C(N[C@@H]1Cc2cccc(Cl)c2C1)c1ccc(Cl)cn1 ZINC001168688676 1090802139 /nfs/dbraw/zinc/80/21/39/1090802139.db2.gz DMCQMOYZEDYWJE-LLVKDONJSA-N 0 3 306.196 3.261 20 30 DGEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cccc(F)c1)C2 ZINC001203784939 1090802847 /nfs/dbraw/zinc/80/28/47/1090802847.db2.gz GECPSRFKVPVNIN-IBGZPJMESA-N 0 3 316.420 3.359 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C1CN(CCc2ccccc2)C1 ZINC001276423809 1090816887 /nfs/dbraw/zinc/81/68/87/1090816887.db2.gz WWBCOFCLYUWVQA-INIZCTEOSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC001486451138 1090839773 /nfs/dbraw/zinc/83/97/73/1090839773.db2.gz KVGSOVLXGOYMPL-INIZCTEOSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001486440530 1090839995 /nfs/dbraw/zinc/83/99/95/1090839995.db2.gz RFOMKYGKJZOCJY-AEFFLSMTSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)Cc2ccccc2)C1 ZINC001486484167 1090854940 /nfs/dbraw/zinc/85/49/40/1090854940.db2.gz SWYSULUOZXOBJU-NVPAJSRCSA-N 0 3 320.864 3.197 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)C(C)(F)F)c(F)c1 ZINC001486524844 1090869368 /nfs/dbraw/zinc/86/93/68/1090869368.db2.gz OXLCWIXJVVTFHE-LLVKDONJSA-N 0 3 314.351 3.009 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccccn1)[C@H]2CC ZINC001204058573 1090885282 /nfs/dbraw/zinc/88/52/82/1090885282.db2.gz XIVZZJSWUXUOCH-HKUYNNGSSA-N 0 3 313.445 3.003 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)C2CCC2)[C@H](OC)C1 ZINC001212448722 1090903579 /nfs/dbraw/zinc/90/35/79/1090903579.db2.gz ZVHWKFVUAQYCFY-KBAYOESNSA-N 0 3 324.509 3.208 20 30 DGEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ccc(CC)o1)CC2 ZINC001273000671 1090979624 /nfs/dbraw/zinc/97/96/24/1090979624.db2.gz YKOTWECOPZGNLY-UHFFFAOYSA-N 0 3 316.445 3.233 20 30 DGEDHN CN1CCN(Cc2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC001204537888 1090995326 /nfs/dbraw/zinc/99/53/26/1090995326.db2.gz ORNTWEQIBDNQLF-UHFFFAOYSA-N 0 3 306.413 3.049 20 30 DGEDHN CN1CCN(Cc2ccc(Nc3ccccc3C#N)cc2)CC1 ZINC001204746825 1091027794 /nfs/dbraw/zinc/02/77/94/1091027794.db2.gz FLSXMBNQNVVTIK-UHFFFAOYSA-N 0 3 306.413 3.049 20 30 DGEDHN CC[C@H]1CCC[C@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC001205033063 1091088012 /nfs/dbraw/zinc/08/80/12/1091088012.db2.gz PSPAKCLNDQBWFV-IRXDYDNUSA-N 0 3 312.461 3.292 20 30 DGEDHN CC[C@@H]1CCC[C@@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC001205033062 1091088052 /nfs/dbraw/zinc/08/80/52/1091088052.db2.gz PSPAKCLNDQBWFV-IAGOWNOFSA-N 0 3 312.461 3.292 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@]1(C)CN(C[C@H](C)CC(C)C)CCO1 ZINC001108118738 1091098859 /nfs/dbraw/zinc/09/88/59/1091098859.db2.gz AHFFKNMAVKZAKQ-VQIMIIECSA-N 0 3 324.509 3.088 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001108150625 1091155181 /nfs/dbraw/zinc/15/51/81/1091155181.db2.gz GYKAIMWADWZFNL-APWZRJJASA-N 0 3 324.509 3.232 20 30 DGEDHN C#C[C@@H]1CCCN(Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138390039 1091162801 /nfs/dbraw/zinc/16/28/01/1091162801.db2.gz NEDRLPJZRDKMGK-MRXNPFEDSA-N 0 3 300.446 3.387 20 30 DGEDHN Cc1c(CN2CCC3SC(=O)C=C3C2)[nH]c2ccc(F)cc12 ZINC001138412585 1091173655 /nfs/dbraw/zinc/17/36/55/1091173655.db2.gz TVQZFKVBKQACFB-INIZCTEOSA-N 0 3 316.401 3.390 20 30 DGEDHN C=CCCCC(=O)NCC1(NCc2ccnc(Cl)c2)CCC1 ZINC001273140626 1091174025 /nfs/dbraw/zinc/17/40/25/1091174025.db2.gz BYDDDKJWIIKMLX-UHFFFAOYSA-N 0 3 321.852 3.220 20 30 DGEDHN C#CCOc1ccc(CN2CCC3(CCC(=O)CC3)CC2)cc1 ZINC001138560196 1091228555 /nfs/dbraw/zinc/22/85/55/1091228555.db2.gz KZRXHHYTAGGVSJ-UHFFFAOYSA-N 0 3 311.425 3.424 20 30 DGEDHN C#CCOc1ccc(CN2CC[C@@H](Oc3ncccc3C)C2)cc1 ZINC001138560795 1091230674 /nfs/dbraw/zinc/23/06/74/1091230674.db2.gz OEIIBEZCMTUWMS-LJQANCHMSA-N 0 3 322.408 3.055 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001493606928 1091236014 /nfs/dbraw/zinc/23/60/14/1091236014.db2.gz SMZRQCBEMCCGQZ-HNNXBMFYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC2(CCC(=O)O2)CC1 ZINC001138665709 1091281048 /nfs/dbraw/zinc/28/10/48/1091281048.db2.gz VASQXSCJXGTLDE-UHFFFAOYSA-N 0 3 315.413 3.313 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCc2ccc(=O)[nH]c2CC1 ZINC001138665847 1091281769 /nfs/dbraw/zinc/28/17/69/1091281769.db2.gz YDSXXXYZGCVXRV-UHFFFAOYSA-N 0 3 324.424 3.343 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](C(=O)OC)CC1 ZINC001138666567 1091282976 /nfs/dbraw/zinc/28/29/76/1091282976.db2.gz XQUWYPXFFKUFKT-MRXNPFEDSA-N 0 3 317.429 3.417 20 30 DGEDHN C=C(C)COc1ccccc1CN1CCC[C@H](C(=O)OC)CC1 ZINC001138666566 1091283320 /nfs/dbraw/zinc/28/33/20/1091283320.db2.gz XQUWYPXFFKUFKT-INIZCTEOSA-N 0 3 317.429 3.417 20 30 DGEDHN C#CC1CCN(Cc2ccc(OC(F)(F)F)cc2OC)CC1 ZINC001138850375 1091355770 /nfs/dbraw/zinc/35/57/70/1091355770.db2.gz ATNGHBHEZFJGDO-UHFFFAOYSA-N 0 3 313.319 3.439 20 30 DGEDHN CC#CCNC1(CNC(=O)c2cccc3ccccc32)CCC1 ZINC001273194953 1091379670 /nfs/dbraw/zinc/37/96/70/1091379670.db2.gz MMYWNILDXVOSDZ-UHFFFAOYSA-N 0 3 306.409 3.105 20 30 DGEDHN CCc1cccc(NC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001202879921 1091385782 /nfs/dbraw/zinc/38/57/82/1091385782.db2.gz LLCGCRBMTQZGHQ-CQSZACIVSA-N 0 3 302.399 3.055 20 30 DGEDHN C=CCOc1ccccc1CN1CCC2(C[C@@H]2CCO)CC1 ZINC001139028798 1091423307 /nfs/dbraw/zinc/42/33/07/1091423307.db2.gz CQKSAGBKAQIZSQ-KRWDZBQOSA-N 0 3 301.430 3.236 20 30 DGEDHN C=CCOc1ccccc1CN1CCC2(C[C@H](F)CO2)CC1 ZINC001139030438 1091424356 /nfs/dbraw/zinc/42/43/56/1091424356.db2.gz NCMFETWBOAMONL-INIZCTEOSA-N 0 3 305.393 3.344 20 30 DGEDHN CCn1ccc2ccc(CN3CCC4SC(=O)C=C4C3)cc21 ZINC001139121175 1091455659 /nfs/dbraw/zinc/45/56/59/1091455659.db2.gz FCLCAEFDRWGPEE-QGZVFWFLSA-N 0 3 312.438 3.435 20 30 DGEDHN CCn1ccc2ccc(CN3CC[C@H]4SC(=O)C=C4C3)cc21 ZINC001139121175 1091455663 /nfs/dbraw/zinc/45/56/63/1091455663.db2.gz FCLCAEFDRWGPEE-QGZVFWFLSA-N 0 3 312.438 3.435 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001206094285 1091489535 /nfs/dbraw/zinc/48/95/35/1091489535.db2.gz FGHUQAQSWLRSPV-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2ccccc2-n2ccnc2)no1 ZINC001206094738 1091491020 /nfs/dbraw/zinc/49/10/20/1091491020.db2.gz VTIWGPJCRJMQJT-UHFFFAOYSA-N 0 3 321.384 3.031 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)cc(C)c2F)no1 ZINC001206100809 1091492312 /nfs/dbraw/zinc/49/23/12/1091492312.db2.gz UZYFYGKIIFOMJH-UHFFFAOYSA-N 0 3 305.328 3.432 20 30 DGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001206100827 1091492768 /nfs/dbraw/zinc/49/27/68/1091492768.db2.gz VNSXKCCMGRLWEI-UHFFFAOYSA-N 0 3 311.385 3.387 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC001084445975 1091493394 /nfs/dbraw/zinc/49/33/94/1091493394.db2.gz NVNITKSCFQFSED-RCCFBDPRSA-N 0 3 302.462 3.232 20 30 DGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C3CCC3)C3CCC3)[C@@H]2C1 ZINC001084613323 1091517414 /nfs/dbraw/zinc/51/74/14/1091517414.db2.gz CMVXCGQJBVVPSD-QZTJIDSGSA-N 0 3 316.489 3.312 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)CSC(C)C ZINC001098915321 1091555237 /nfs/dbraw/zinc/55/52/37/1091555237.db2.gz HSLZBZREISRINZ-OAHLLOKOSA-N 0 3 312.523 3.311 20 30 DGEDHN COC[C@@H]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139425206 1091555944 /nfs/dbraw/zinc/55/59/44/1091555944.db2.gz BCLIVLFGKNVHEH-QGZVFWFLSA-N 0 3 323.396 3.214 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)c(CC)s3)[C@@H]2C1 ZINC001084818637 1091581702 /nfs/dbraw/zinc/58/17/02/1091581702.db2.gz LUUQQBAFCJLXNF-HUUCEWRRSA-N 0 3 318.486 3.341 20 30 DGEDHN CCOC(=O)[C@@]1(C)CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139526771 1091586897 /nfs/dbraw/zinc/58/68/97/1091586897.db2.gz GSHJAAIDKICLPR-SFHVURJKSA-N 0 3 318.392 3.253 20 30 DGEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc4cccc(C)c4o3)[C@@H]2C1 ZINC001084856220 1091591839 /nfs/dbraw/zinc/59/18/39/1091591839.db2.gz YCSQZNXBQTWUHU-IAGOWNOFSA-N 0 3 324.424 3.464 20 30 DGEDHN N#Cc1c(Cl)cccc1CN1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001139692721 1091644646 /nfs/dbraw/zinc/64/46/46/1091644646.db2.gz GWLMLXDYJXDHBO-DLBZAZTESA-N 0 3 321.827 3.220 20 30 DGEDHN N#Cc1cccc2c(CN3CC[C@H](Oc4ccncc4)C3)c[nH]c21 ZINC001139706460 1091648306 /nfs/dbraw/zinc/64/83/06/1091648306.db2.gz UPHOEGLEAOZVMH-KRWDZBQOSA-N 0 3 318.380 3.088 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001098944246 1091656153 /nfs/dbraw/zinc/65/61/53/1091656153.db2.gz KFWIDAHQIPYRDI-KZRVJCNKSA-N 0 3 322.493 3.152 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C(C)C)C12CCC2 ZINC001202967641 1091667162 /nfs/dbraw/zinc/66/71/62/1091667162.db2.gz DNCGXOZVVUPKEI-KBPBESRZSA-N 0 3 312.885 3.438 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(N(CC)CC)cc1 ZINC001139865863 1091695772 /nfs/dbraw/zinc/69/57/72/1091695772.db2.gz UWKIKGMPPQJZEF-UHFFFAOYSA-N 0 3 317.477 3.113 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC001139869295 1091695959 /nfs/dbraw/zinc/69/59/59/1091695959.db2.gz DRGWPOPNKYJUEL-MRXNPFEDSA-N 0 3 320.864 3.336 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085325169 1091747716 /nfs/dbraw/zinc/74/77/16/1091747716.db2.gz AMEMFFKUVXMUNF-HUUCEWRRSA-N 0 3 319.474 3.016 20 30 DGEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cnc(C)s1)C2 ZINC001207060992 1091834990 /nfs/dbraw/zinc/83/49/90/1091834990.db2.gz YXUQCMZAQWMVOC-DLBZAZTESA-N 0 3 322.474 3.025 20 30 DGEDHN CN(Cc1cc(C#N)n(C)c1)Cc1ccc(N2CCCC2)cc1 ZINC001207106675 1091846146 /nfs/dbraw/zinc/84/61/46/1091846146.db2.gz RZPKLBQQWZNOLJ-UHFFFAOYSA-N 0 3 308.429 3.129 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2nccc(C)c2c1 ZINC001085617348 1091859729 /nfs/dbraw/zinc/85/97/29/1091859729.db2.gz LAGMFTNDCGNQSI-KRWDZBQOSA-N 0 3 323.440 3.266 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616776 1091860188 /nfs/dbraw/zinc/86/01/88/1091860188.db2.gz VIBTXNLVUHWHBW-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CC[C@H](C(=O)N(CC)CCN(C)CC=C)c1ccccc1 ZINC001297372766 1091870681 /nfs/dbraw/zinc/87/06/81/1091870681.db2.gz DAMDESLAYXHXFS-SFHVURJKSA-N 0 3 300.446 3.313 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001207190038 1091880364 /nfs/dbraw/zinc/88/03/64/1091880364.db2.gz FHUWRGDQMBWZTA-CRAIPNDOSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCN(CCN1CCC[C@@H](C(F)F)C1)C(=O)OC(C)(C)C ZINC001207205166 1091887584 /nfs/dbraw/zinc/88/75/84/1091887584.db2.gz GFSSSNJIWMWIOJ-CYBMUJFWSA-N 0 3 318.408 3.387 20 30 DGEDHN C=CCN(CCN1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001207206253 1091887754 /nfs/dbraw/zinc/88/77/54/1091887754.db2.gz TYCPTILVLIORLI-UHFFFAOYSA-N 0 3 307.438 3.035 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1F ZINC001085709023 1091890528 /nfs/dbraw/zinc/89/05/28/1091890528.db2.gz XIUKHHHLUVESKG-ZDUSSCGKSA-N 0 3 310.800 3.202 20 30 DGEDHN CC(C)(C)OC(=O)NC12CC(CCN3CC[C@@](C)(C#N)C3)(C1)C2 ZINC001207231080 1091894638 /nfs/dbraw/zinc/89/46/38/1091894638.db2.gz DXOXUDARVWLGFJ-AOCRQIFASA-N 0 3 319.449 3.059 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001085718216 1091897385 /nfs/dbraw/zinc/89/73/85/1091897385.db2.gz LGPPMNBASDSHSE-CQSZACIVSA-N 0 3 319.449 3.085 20 30 DGEDHN C[C@@H]1CN(Cc2ccc(C#N)nc2)[C@H](C)CN1Cc1ccccc1 ZINC001140546946 1091906292 /nfs/dbraw/zinc/90/62/92/1091906292.db2.gz BDGLCQSXWQEVIK-IAGOWNOFSA-N 0 3 320.440 3.048 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001085741256 1091908611 /nfs/dbraw/zinc/90/86/11/1091908611.db2.gz LAZCLMZPMADJOY-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(O)c(C)c1)C2 ZINC001140575751 1091916005 /nfs/dbraw/zinc/91/60/05/1091916005.db2.gz XAYKMMHGPWMQKS-PKOBYXMFSA-N 0 3 317.429 3.027 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(F)cc1C ZINC001085759529 1091916998 /nfs/dbraw/zinc/91/69/98/1091916998.db2.gz JMBKEQZYYDYYGV-MRXNPFEDSA-N 0 3 304.409 3.165 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785039 1091933129 /nfs/dbraw/zinc/93/31/29/1091933129.db2.gz HUFNGZQDDKQSOE-ZDUSSCGKSA-N 0 3 312.360 3.330 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CCC)cc1 ZINC001085792441 1091937613 /nfs/dbraw/zinc/93/76/13/1091937613.db2.gz KXIZVYZVNNZHGU-SFHVURJKSA-N 0 3 300.446 3.362 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835910 1091959647 /nfs/dbraw/zinc/95/96/47/1091959647.db2.gz WZOOOJRLGCEBPQ-KRWDZBQOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001085837552 1091959673 /nfs/dbraw/zinc/95/96/73/1091959673.db2.gz MOUNJTGUNMJAIK-CYBMUJFWSA-N 0 3 310.800 3.202 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001085844896 1091973202 /nfs/dbraw/zinc/97/32/02/1091973202.db2.gz ZWCHMJLNYVDZLC-KRWDZBQOSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(OCC)c1 ZINC001085853508 1091981041 /nfs/dbraw/zinc/98/10/41/1091981041.db2.gz AESDLEKAKOFGBB-KRWDZBQOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001085914433 1092006740 /nfs/dbraw/zinc/00/67/40/1092006740.db2.gz ACVUNXWCISDBLE-INIZCTEOSA-N 0 3 315.461 3.006 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncsc1C(C)C ZINC001085919424 1092012862 /nfs/dbraw/zinc/01/28/62/1092012862.db2.gz BBTXVUHSKQKVFA-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085938068 1092024976 /nfs/dbraw/zinc/02/49/76/1092024976.db2.gz XAFQDRJPVBEZGX-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085946434 1092035875 /nfs/dbraw/zinc/03/58/75/1092035875.db2.gz IUTFRSKNQOVXQY-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085956472 1092049577 /nfs/dbraw/zinc/04/95/77/1092049577.db2.gz CZAFRSYSUZMWFD-GOSISDBHSA-N 0 3 300.446 3.416 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001207635481 1092054500 /nfs/dbraw/zinc/05/45/00/1092054500.db2.gz KTPYWHACEMTJNS-MRXNPFEDSA-N 0 3 312.413 3.480 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)cn1CC ZINC001085976522 1092068887 /nfs/dbraw/zinc/06/88/87/1092068887.db2.gz ZJDUTWJQQNJJRS-HNNXBMFYSA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cncc2ccccc21 ZINC001085985745 1092075749 /nfs/dbraw/zinc/07/57/49/1092075749.db2.gz MFDBNZRPWBTUIC-KRWDZBQOSA-N 0 3 323.440 3.347 20 30 DGEDHN CC(C)(C)/C=C\C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207710185 1092076096 /nfs/dbraw/zinc/07/60/96/1092076096.db2.gz HLOGKLYEDHJKBB-QQBSYFJQSA-N 0 3 324.468 3.221 20 30 DGEDHN CCC[C@H](C)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207719128 1092080455 /nfs/dbraw/zinc/08/04/55/1092080455.db2.gz ZFJQAXQQIZIFED-UONOGXRCSA-N 0 3 319.474 3.137 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001085994270 1092085170 /nfs/dbraw/zinc/08/51/70/1092085170.db2.gz HRGCKISEZZVKHJ-MNNVXMFVSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CC(c2ccccc2)C1 ZINC001085998200 1092088505 /nfs/dbraw/zinc/08/85/05/1092088505.db2.gz QCDJCBLLEQTUFW-ACBHZAAOSA-N 0 3 312.457 3.289 20 30 DGEDHN C=CCN1CC[C@@]2(CCN(Cc3csc(Cl)c3)C2)C1=O ZINC001273384755 1092091311 /nfs/dbraw/zinc/09/13/11/1092091311.db2.gz TZSZMVVXLATGQZ-OAHLLOKOSA-N 0 3 310.850 3.012 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001086142150 1092141504 /nfs/dbraw/zinc/14/15/04/1092141504.db2.gz JFIANVSGYOEUJV-OKILXGFUSA-N 0 3 310.825 3.055 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001108246599 1092148107 /nfs/dbraw/zinc/14/81/07/1092148107.db2.gz QVLXLWTWOKCOOQ-LJQANCHMSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC001086217560 1092169394 /nfs/dbraw/zinc/16/93/94/1092169394.db2.gz KLZPHRPWKFTXLV-AOOOYVTPSA-N 0 3 319.257 3.252 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC001141165048 1092157609 /nfs/dbraw/zinc/15/76/09/1092157609.db2.gz ROKLDIVQJBJZNM-UHFFFAOYSA-N 0 3 303.425 3.395 20 30 DGEDHN CC(C)C#CC(=O)N1CCC[C@H](NCc2ccc(Cl)s2)C1 ZINC001207989538 1092169025 /nfs/dbraw/zinc/16/90/25/1092169025.db2.gz QBFDZCXQQMSQOI-ZDUSSCGKSA-N 0 3 324.877 3.142 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001086280605 1092189477 /nfs/dbraw/zinc/18/94/77/1092189477.db2.gz GCAJIMDUOMRXIX-OTVXOJSOSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001086364447 1092225027 /nfs/dbraw/zinc/22/50/27/1092225027.db2.gz FTSDMNXGIIQQBK-KKUMJFAQSA-N 0 3 310.869 3.194 20 30 DGEDHN N#C[C@H]1CCCN(Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141413287 1092233506 /nfs/dbraw/zinc/23/35/06/1092233506.db2.gz NFKQMRGSYIDXFT-INIZCTEOSA-N 0 3 314.429 3.370 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001086398944 1092236218 /nfs/dbraw/zinc/23/62/18/1092236218.db2.gz HLKYBTSDKSACHT-BZUAXINKSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001086420424 1092242885 /nfs/dbraw/zinc/24/28/85/1092242885.db2.gz UZMZEMYQCOVJCP-JOCQHMNTSA-N 0 3 317.820 3.018 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001086423851 1092244081 /nfs/dbraw/zinc/24/40/81/1092244081.db2.gz VZORDJIROWCDIS-VGWMRTNUSA-N 0 3 324.896 3.462 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001086438018 1092253469 /nfs/dbraw/zinc/25/34/69/1092253469.db2.gz ZFJHTFWURDBWOI-MWQQHZPXSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC001491880644 1092270774 /nfs/dbraw/zinc/27/07/74/1092270774.db2.gz AHGSAJFUSIVENL-CABCVRRESA-N 0 3 321.490 3.325 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(C)cc2C)C1 ZINC001208242334 1092290704 /nfs/dbraw/zinc/29/07/04/1092290704.db2.gz ICESBPVCGCVUEX-IEBWSBKVSA-N 0 3 314.473 3.249 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001208255210 1092292299 /nfs/dbraw/zinc/29/22/99/1092292299.db2.gz DLBLAUXUJQBVIK-KRWDZBQOSA-N 0 3 322.399 3.402 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](N(C)Cc2cccc(OC)c2)C1 ZINC001491915399 1092295481 /nfs/dbraw/zinc/29/54/81/1092295481.db2.gz BRZRECVQWCPZKD-QGZVFWFLSA-N 0 3 316.445 3.084 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001491959268 1092324304 /nfs/dbraw/zinc/32/43/04/1092324304.db2.gz KGQSQIWKVSCCFT-IRXDYDNUSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320293 1092331313 /nfs/dbraw/zinc/33/13/13/1092331313.db2.gz AQPYNXBJHVUIBY-QFBILLFUSA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001208452534 1092358068 /nfs/dbraw/zinc/35/80/68/1092358068.db2.gz QHJQSPACMYRULR-CRAIPNDOSA-N 0 3 318.436 3.449 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2noc(C(C)(C)C)c2C)CC1 ZINC001208470069 1092366791 /nfs/dbraw/zinc/36/67/91/1092366791.db2.gz VBUCSJVGXVJFSB-UHFFFAOYSA-N 0 3 320.437 3.052 20 30 DGEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)OC(C)(C)C ZINC001168820554 1092378189 /nfs/dbraw/zinc/37/81/89/1092378189.db2.gz CBZZJHUXUIJCFI-NWDGAFQWSA-N 0 3 321.446 3.107 20 30 DGEDHN C[C@@H]1C[C@H](NCc2csc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168835550 1092387732 /nfs/dbraw/zinc/38/77/32/1092387732.db2.gz SOKGNCTVLDWLHG-YPMHNXCESA-N 0 3 321.446 3.107 20 30 DGEDHN C[C@@H]1C[C@H](NCc2cc(C#N)cs2)CN1C(=O)OC(C)(C)C ZINC001168839340 1092392826 /nfs/dbraw/zinc/39/28/26/1092392826.db2.gz JYTWALOHXHYGTE-YPMHNXCESA-N 0 3 321.446 3.107 20 30 DGEDHN C[C@H](CN1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC001208712306 1092468561 /nfs/dbraw/zinc/46/85/61/1092468561.db2.gz BQQCSLBPDQOEAY-QGZVFWFLSA-N 0 3 307.441 3.475 20 30 DGEDHN C=C1CCC(C(=O)NCCN(C)Cc2ccc(CF)cc2)CC1 ZINC001492400034 1092498279 /nfs/dbraw/zinc/49/82/79/1092498279.db2.gz WKIBWRKATNVKOU-UHFFFAOYSA-N 0 3 318.436 3.451 20 30 DGEDHN N#Cc1ccc(CCN2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001208920572 1092588484 /nfs/dbraw/zinc/58/84/84/1092588484.db2.gz LPRDIZYCCPPFBL-ZIAGYGMSSA-N 0 3 300.299 3.181 20 30 DGEDHN N#Cc1ccc(CCN2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001208920677 1092588570 /nfs/dbraw/zinc/58/85/70/1092588570.db2.gz MLWFKKPPSBJKRC-AWEZNQCLSA-N 0 3 300.299 3.325 20 30 DGEDHN N#Cc1ccc(CCN2CCN3CCc4ccccc4[C@@H]3C2)cc1 ZINC001208928100 1092590352 /nfs/dbraw/zinc/59/03/52/1092590352.db2.gz UKCAWQNTPOOICU-NRFANRHFSA-N 0 3 317.436 3.016 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001208943615 1092606449 /nfs/dbraw/zinc/60/64/49/1092606449.db2.gz FQUZMFLGUXWADX-KBAYOESNSA-N 0 3 300.446 3.049 20 30 DGEDHN C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001169245902 1092613584 /nfs/dbraw/zinc/61/35/84/1092613584.db2.gz BOAXFUSGYIKEJM-OAHLLOKOSA-N 0 3 304.434 3.237 20 30 DGEDHN C=CCN(CCN(Cc1ccccc1)C1CC1)C(=O)OCC ZINC001209020895 1092626227 /nfs/dbraw/zinc/62/62/27/1092626227.db2.gz POWRBGLAVAZEEN-UHFFFAOYSA-N 0 3 302.418 3.296 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001209028270 1092628471 /nfs/dbraw/zinc/62/84/71/1092628471.db2.gz FNBJELNIORGJAU-CKEIUWERSA-N 0 3 320.864 3.141 20 30 DGEDHN C[C@@](C#N)(Nc1cnc2c(c1)CNCC2)c1ccccc1Cl ZINC001169388076 1092671500 /nfs/dbraw/zinc/67/15/00/1092671500.db2.gz COKRHPGMNHASMU-KRWDZBQOSA-N 0 3 312.804 3.232 20 30 DGEDHN C=CCCCN1CCN(c2cc(C)nn2-c2ccccc2)CC1 ZINC001209162531 1092678272 /nfs/dbraw/zinc/67/82/72/1092678272.db2.gz HTCWKASVJUKHKI-UHFFFAOYSA-N 0 3 310.445 3.269 20 30 DGEDHN C#CCCCN1CCN(c2ccc(Br)cc2C)CC1 ZINC001209267251 1092719675 /nfs/dbraw/zinc/71/96/75/1092719675.db2.gz FLNTVWCBNHMZJN-UHFFFAOYSA-N 0 3 321.262 3.293 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001209185325 1092685592 /nfs/dbraw/zinc/68/55/92/1092685592.db2.gz WEZRZCFONHBDBD-UKRRQHHQSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001209192528 1092689585 /nfs/dbraw/zinc/68/95/85/1092689585.db2.gz AGLFFDSTPZWIDP-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN CCC[C@@H](CC)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001169426620 1092690978 /nfs/dbraw/zinc/69/09/78/1092690978.db2.gz LMVVLYSIPSJGRS-OAHLLOKOSA-N 0 3 319.424 3.120 20 30 DGEDHN C=CCCCCCN1CCn2cc(CN3CCCC3)nc2C1 ZINC001209423498 1092769330 /nfs/dbraw/zinc/76/93/30/1092769330.db2.gz VSKGTHXHIIADGI-UHFFFAOYSA-N 0 3 302.466 3.041 20 30 DGEDHN C=CCCCCCCN1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001209435246 1092773251 /nfs/dbraw/zinc/77/32/51/1092773251.db2.gz HKHFTLJACCUCCK-KRWDZBQOSA-N 0 3 305.466 3.492 20 30 DGEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCC2CCCCC2)C1 ZINC001150669145 1092805870 /nfs/dbraw/zinc/80/58/70/1092805870.db2.gz DHCXMASOXSXMKW-GOSISDBHSA-N 0 3 322.493 3.130 20 30 DGEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cncs1)[C@@H]2CC ZINC001209548476 1092819555 /nfs/dbraw/zinc/81/95/55/1092819555.db2.gz WYXFZJSNGVXBRQ-WBVHZDCISA-N 0 3 319.474 3.065 20 30 DGEDHN C=CC(C)(C)CC(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151137741 1092869065 /nfs/dbraw/zinc/86/90/65/1092869065.db2.gz GXGGPCZRQHETAZ-UHFFFAOYSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001151209706 1092875451 /nfs/dbraw/zinc/87/54/51/1092875451.db2.gz MHCQQPHAWDZXPB-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151288454 1092883334 /nfs/dbraw/zinc/88/33/34/1092883334.db2.gz TUCYRDQGOXNXPC-QGZVFWFLSA-N 0 3 322.493 3.152 20 30 DGEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001151402171 1092894156 /nfs/dbraw/zinc/89/41/56/1092894156.db2.gz AJKDYHQGRRUYQC-INIZCTEOSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001211255891 1093433893 /nfs/dbraw/zinc/43/38/93/1093433893.db2.gz SCZHYTDFRSMNJG-SZVBFZGTSA-N 0 3 312.457 3.119 20 30 DGEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001211389164 1093478568 /nfs/dbraw/zinc/47/85/68/1093478568.db2.gz LBGDIASHYJEQON-KZNAEPCWSA-N 0 3 324.509 3.088 20 30 DGEDHN N#Cc1ccc(F)c(-c2noc(C3CCN(C4CC4)CC3)n2)c1 ZINC001211430944 1093491123 /nfs/dbraw/zinc/49/11/23/1093491123.db2.gz PDYGNZMBAFBAIQ-UHFFFAOYSA-N 0 3 312.348 3.089 20 30 DGEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](OC)C1 ZINC001213312919 1093563917 /nfs/dbraw/zinc/56/39/17/1093563917.db2.gz WQFWSFCHFMAOKV-IAGOWNOFSA-N 0 3 324.509 3.208 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001214305902 1093753780 /nfs/dbraw/zinc/75/37/80/1093753780.db2.gz PCHJHJOYBNOUEU-CKEIUWERSA-N 0 3 304.409 3.289 20 30 DGEDHN Cn1ncc(C#N)c1Nc1cccc(CN2CCCCC2)c1F ZINC001215676539 1094030922 /nfs/dbraw/zinc/03/09/22/1094030922.db2.gz ZCTPQJYOSZSQCM-UHFFFAOYSA-N 0 3 313.380 3.160 20 30 DGEDHN N#Cc1cncc(Nc2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001215710330 1094037837 /nfs/dbraw/zinc/03/78/37/1094037837.db2.gz SUHQWPVELLNOKK-UHFFFAOYSA-N 0 3 311.364 3.217 20 30 DGEDHN CN(C)Cc1cccc(-n2ccc3c2cc(C#N)cc3N)c1F ZINC001216231158 1094154188 /nfs/dbraw/zinc/15/41/88/1094154188.db2.gz BLOHTJQGLFJQKT-UHFFFAOYSA-N 0 3 308.360 3.285 20 30 DGEDHN C[C@@H]1CN(c2ccc(C#N)cn2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404292733 1094253218 /nfs/dbraw/zinc/25/32/18/1094253218.db2.gz BNMZSGYLLDJMOZ-IXDOHACOSA-N 0 3 320.440 3.441 20 30 DGEDHN CN(C)Cc1ccc(-c2noc(-c3cccc(C#N)c3F)n2)cc1 ZINC001216797809 1094263344 /nfs/dbraw/zinc/26/33/44/1094263344.db2.gz DAWUXVGYSPCCQV-UHFFFAOYSA-N 0 3 322.343 3.476 20 30 DGEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)CC1(C)CC1 ZINC001135062026 1094389772 /nfs/dbraw/zinc/38/97/72/1094389772.db2.gz ILJBMGANEKNGTQ-LSDHHAIUSA-N 0 3 313.445 3.121 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120412693 1094423518 /nfs/dbraw/zinc/42/35/18/1094423518.db2.gz HUIXIBLWETTXKW-ROUUACIJSA-N 0 3 322.468 3.243 20 30 DGEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)cc1)[C@H](C)C(C)(C)C ZINC001135178657 1094431013 /nfs/dbraw/zinc/43/10/13/1094431013.db2.gz ZBDRUDVLYJMGFW-GJZGRUSLSA-N 0 3 315.461 3.082 20 30 DGEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CCC3CC3)[C@H]2C1 ZINC001217566067 1094442900 /nfs/dbraw/zinc/44/29/00/1094442900.db2.gz FPVDLGANSPLGFX-ZWKOTPCHSA-N 0 3 322.493 3.059 20 30 DGEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)C(C)(C)CC ZINC001135329594 1094490857 /nfs/dbraw/zinc/49/08/57/1094490857.db2.gz GKIHYZYWYXPBNZ-RYUDHWBXSA-N 0 3 319.287 3.204 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135330304 1094492254 /nfs/dbraw/zinc/49/22/54/1094492254.db2.gz NXORDNJQLNVMGK-HUUCEWRRSA-N 0 3 315.461 3.367 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001135357701 1094500498 /nfs/dbraw/zinc/50/04/98/1094500498.db2.gz GYUUENGBQVNYKW-STQMWFEESA-N 0 3 323.506 3.489 20 30 DGEDHN N#C[C@H]1CNC[C@H]1OC(Cl)(Cl)c1ccccc1Cl ZINC001217830518 1094501443 /nfs/dbraw/zinc/50/14/43/1094501443.db2.gz GOMLXEMIEJMRNW-GZMMTYOYSA-N 0 3 305.592 3.056 20 30 DGEDHN N#C[C@@H]1CNC[C@H]1OC(Cl)(Cl)c1ccc(Cl)cc1 ZINC001217834231 1094502946 /nfs/dbraw/zinc/50/29/46/1094502946.db2.gz VVOBKXHMHOTKFF-LDYMZIIASA-N 0 3 305.592 3.056 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)C[C@@H](C)NCc2conc2C)CC1 ZINC001135416428 1094528159 /nfs/dbraw/zinc/52/81/59/1094528159.db2.gz TYESQIRUKVPWPZ-ZIAGYGMSSA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C\C(C)(C)C)C2 ZINC001120853951 1094541074 /nfs/dbraw/zinc/54/10/74/1094541074.db2.gz LANKTWJMJPZNGX-WAYWQWQTSA-N 0 3 310.869 3.358 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103346416 1094591910 /nfs/dbraw/zinc/59/19/10/1094591910.db2.gz LJGJMBXRXCLGJY-FVQBIDKESA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103344987 1094593304 /nfs/dbraw/zinc/59/33/04/1094593304.db2.gz XCLQTAJJMKEGEZ-SQWLQELKSA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1C ZINC001103865468 1094776679 /nfs/dbraw/zinc/77/66/79/1094776679.db2.gz UXNZMVPQJGJAIH-VNQPRFMTSA-N 0 3 310.869 3.169 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(C(C)(C)C)nn1C ZINC001218606272 1094838794 /nfs/dbraw/zinc/83/87/94/1094838794.db2.gz PXPNVIPBWQPDJY-ZDUSSCGKSA-N 0 3 306.454 3.120 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(C)nc2[nH]ccc21 ZINC001218703108 1094851659 /nfs/dbraw/zinc/85/16/59/1094851659.db2.gz VLCHKMQGHNBUJI-AWEZNQCLSA-N 0 3 300.406 3.225 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2nnc(C)cc21 ZINC001218858645 1094887989 /nfs/dbraw/zinc/88/79/89/1094887989.db2.gz BOFJIMKXFXMWRD-HNNXBMFYSA-N 0 3 312.417 3.341 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2c1cc[nH]c2=O ZINC001218901262 1094899959 /nfs/dbraw/zinc/89/99/59/1094899959.db2.gz CSLYKKNJWOJTIF-HNNXBMFYSA-N 0 3 313.401 3.343 20 30 DGEDHN N=C(N[C@H]1CCc2cccc(Cl)c2C1)c1ccc(F)cn1 ZINC001170902820 1094900477 /nfs/dbraw/zinc/90/04/77/1094900477.db2.gz SQPSTQZAAUOMMH-LBPRGKRZSA-N 0 3 303.768 3.137 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC001122111540 1094902584 /nfs/dbraw/zinc/90/25/84/1094902584.db2.gz AAFAUVCJUBMYKL-QGZVFWFLSA-N 0 3 304.409 3.215 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)OCCNC2 ZINC001122135395 1094909077 /nfs/dbraw/zinc/90/90/77/1094909077.db2.gz BLRXPXAHRMSVRB-RHSMWYFYSA-N 0 3 314.429 3.033 20 30 DGEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)(C)CC)C[C@@H](C)O2 ZINC001111545807 1094917435 /nfs/dbraw/zinc/91/74/35/1094917435.db2.gz PQWWPTJMEGRDGC-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc2snnc2c(C)c1 ZINC001219181951 1094947517 /nfs/dbraw/zinc/94/75/17/1094947517.db2.gz GYRUIFSPGSBNGE-ZDUSSCGKSA-N 0 3 318.446 3.402 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[C@H](C)CC)C1 ZINC001111761969 1094959754 /nfs/dbraw/zinc/95/97/54/1094959754.db2.gz UUMJUBOJXOLXLK-AOIWGVFYSA-N 0 3 304.478 3.197 20 30 DGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CCC=CCCC1 ZINC001122448054 1094978787 /nfs/dbraw/zinc/97/87/87/1094978787.db2.gz JKQJGLSIROSDTD-IRXDYDNUSA-N 0 3 310.397 3.148 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001111936439 1095016949 /nfs/dbraw/zinc/01/69/49/1095016949.db2.gz KBMRLWLKBHSGAJ-GJYPPUQNSA-N 0 3 304.478 3.053 20 30 DGEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCCCCCC)C1 ZINC001111949401 1095017641 /nfs/dbraw/zinc/01/76/41/1095017641.db2.gz CJLNLVSMGZQBDV-HKUYNNGSSA-N 0 3 304.478 3.341 20 30 DGEDHN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1cccc(F)n1 ZINC001122637978 1095023230 /nfs/dbraw/zinc/02/32/30/1095023230.db2.gz VQECZFQUHUGXIY-DUMNWFOQSA-N 0 3 301.708 3.159 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1C(F)(F)F ZINC001112073409 1095031249 /nfs/dbraw/zinc/03/12/49/1095031249.db2.gz PHRACAGZWMHYLB-AMRKSYTLSA-N 0 3 318.383 3.144 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C=C(CC)CC)C[C@H]1C(F)(F)F ZINC001112081826 1095031686 /nfs/dbraw/zinc/03/16/86/1095031686.db2.gz MSQJOZNQBQQYBB-ZIAGYGMSSA-N 0 3 318.383 3.288 20 30 DGEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112176092 1095038007 /nfs/dbraw/zinc/03/80/07/1095038007.db2.gz NMEIICYNCSCIBU-YNEHKIRRSA-N 0 3 320.399 3.224 20 30 DGEDHN N#CCCCCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220191629 1095063527 /nfs/dbraw/zinc/06/35/27/1095063527.db2.gz MELFYKZRSFPCTF-CYBMUJFWSA-N 0 3 314.216 3.193 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC)c(OCC(=C)C)c2)C1 ZINC001337728321 1095075257 /nfs/dbraw/zinc/07/52/57/1095075257.db2.gz SSQMDRDGQARUPO-KRWDZBQOSA-N 0 3 317.429 3.427 20 30 DGEDHN CCOc1ccc(NC(=N)c2ccc(C(=O)OC)cc2)cc1C ZINC001170984647 1095078499 /nfs/dbraw/zinc/07/84/99/1095078499.db2.gz DMHJVMPBWJZKCB-UHFFFAOYSA-N 0 3 312.369 3.217 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)CSC)CCCCC1 ZINC001115449668 1095225169 /nfs/dbraw/zinc/22/51/69/1095225169.db2.gz SBZRUANPMSZODK-GFCCVEGCSA-N 0 3 318.914 3.147 20 30 DGEDHN C#CC1(NC(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)CCCCC1 ZINC001221275552 1095228134 /nfs/dbraw/zinc/22/81/34/1095228134.db2.gz DWYMQEOFXVJUFE-MSOLQXFVSA-N 0 3 310.441 3.322 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccccc1C(F)(F)F ZINC001123337526 1095245401 /nfs/dbraw/zinc/24/54/01/1095245401.db2.gz CEIXYMGKRIOKKL-GFCCVEGCSA-N 0 3 321.302 3.341 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC001123337273 1095246048 /nfs/dbraw/zinc/24/60/48/1095246048.db2.gz PLCWPMUEVSHLPI-SNVBAGLBSA-N 0 3 301.312 3.448 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001123338301 1095246253 /nfs/dbraw/zinc/24/62/53/1095246253.db2.gz ZTAFFQGKEGKEEO-BZUAXINKSA-N 0 3 311.360 3.412 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001221524589 1095293429 /nfs/dbraw/zinc/29/34/29/1095293429.db2.gz UFDMUKPQGBBLDO-GZBFAFLISA-N 0 3 322.449 3.388 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001221524590 1095294208 /nfs/dbraw/zinc/29/42/08/1095294208.db2.gz UFDMUKPQGBBLDO-UMVBOHGHSA-N 0 3 322.449 3.388 20 30 DGEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221536292 1095297544 /nfs/dbraw/zinc/29/75/44/1095297544.db2.gz IHCPHRLRZWMACV-QZTJIDSGSA-N 0 3 314.473 3.069 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCC[C@H](C)CC)[C@@H]2C1 ZINC001221577705 1095304301 /nfs/dbraw/zinc/30/43/01/1095304301.db2.gz BUWJMCDNPOZWAD-KZNAEPCWSA-N 0 3 304.478 3.149 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cncs2)CCCCC1 ZINC001115667075 1095324798 /nfs/dbraw/zinc/32/47/98/1095324798.db2.gz QLNVIGXUXSLTBL-UHFFFAOYSA-N 0 3 321.490 3.264 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001338553215 1095333742 /nfs/dbraw/zinc/33/37/42/1095333742.db2.gz WRJDUVOCMQTTNS-ZFWWWQNUSA-N 0 3 320.408 3.318 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001338553213 1095333921 /nfs/dbraw/zinc/33/39/21/1095333921.db2.gz WRJDUVOCMQTTNS-HIFRSBDPSA-N 0 3 320.408 3.318 20 30 DGEDHN N#CC1(C[C@@H](O)CNCc2ccc(Oc3ccccc3)cn2)CC1 ZINC001338566594 1095337919 /nfs/dbraw/zinc/33/79/19/1095337919.db2.gz LDBVDGLDCSAGNB-MRXNPFEDSA-N 0 3 323.396 3.018 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221760523 1095346354 /nfs/dbraw/zinc/34/63/54/1095346354.db2.gz IGKCHOLPPGMQMG-QXAKKESOSA-N 0 3 312.457 3.322 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(CC(C)C)CCCC3)[C@@H]2C1 ZINC001221875268 1095378170 /nfs/dbraw/zinc/37/81/70/1095378170.db2.gz XQVUSGBYNRRSAJ-QZTJIDSGSA-N 0 3 316.489 3.149 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2C2CC2)CCCCC1 ZINC001115767240 1095379228 /nfs/dbraw/zinc/37/92/28/1095379228.db2.gz DILAEJRGXFPMTD-LSDHHAIUSA-N 0 3 310.869 3.194 20 30 DGEDHN CCCCCCCCC(=O)N1C[C@H]2CCN(CCOCC)C[C@H]21 ZINC001221971230 1095403194 /nfs/dbraw/zinc/40/31/94/1095403194.db2.gz UOXZJRMAPRODTR-QZTJIDSGSA-N 0 3 324.509 3.306 20 30 DGEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(CC=C)CCCCC3)[C@@H]2C1 ZINC001222040113 1095414263 /nfs/dbraw/zinc/41/42/63/1095414263.db2.gz KLKARPHYZMXLED-QZTJIDSGSA-N 0 3 314.473 3.069 20 30 DGEDHN CCCC[C@H](CC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001123936709 1095488284 /nfs/dbraw/zinc/48/82/84/1095488284.db2.gz QCVAKIABFHCWKW-HNNXBMFYSA-N 0 3 319.424 3.120 20 30 DGEDHN O=C1C=C2CN(Cc3ccc(-n4cccc4)cc3)CCC2S1 ZINC001144238978 1095565697 /nfs/dbraw/zinc/56/56/97/1095565697.db2.gz KYEAKJUHRZPDNV-QGZVFWFLSA-N 0 3 310.422 3.251 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001091027406 1095583809 /nfs/dbraw/zinc/58/38/09/1095583809.db2.gz FTSDMNXGIIQQBK-SLTAFYQDSA-N 0 3 310.869 3.194 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001091044893 1095604035 /nfs/dbraw/zinc/60/40/35/1095604035.db2.gz JBLVFUHITSLFFB-HWOWSKLDSA-N 0 3 310.869 3.360 20 30 DGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC001116576179 1095607323 /nfs/dbraw/zinc/60/73/23/1095607323.db2.gz QCVZRUCTWUHTOX-ZDUSSCGKSA-N 0 3 313.344 3.074 20 30 DGEDHN C=C(Cc1ccccc1)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001144395978 1095641512 /nfs/dbraw/zinc/64/15/12/1095641512.db2.gz RTDSHZYDTFXFQR-UHFFFAOYSA-N 0 3 322.452 3.376 20 30 DGEDHN COc1cccc(OC)c1CN[C@@H](C)Cc1cccc(C#N)c1 ZINC001171181224 1095659075 /nfs/dbraw/zinc/65/90/75/1095659075.db2.gz IKABHNPBHOJOTI-AWEZNQCLSA-N 0 3 310.397 3.296 20 30 DGEDHN Cc1cccn2cc(CN[C@@H](C)Cc3cccc(C#N)c3)nc12 ZINC001171186447 1095664989 /nfs/dbraw/zinc/66/49/89/1095664989.db2.gz WCOZZSKPRVSWMS-HNNXBMFYSA-N 0 3 304.397 3.235 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)NCC(=O)Cc1ccc(F)cc1 ZINC001171195854 1095694651 /nfs/dbraw/zinc/69/46/51/1095694651.db2.gz VCXKSGNSAZLMCO-CQSZACIVSA-N 0 3 310.372 3.030 20 30 DGEDHN C#Cc1ccc(CN2CCC(Oc3ccnc(OC)c3)CC2)cc1 ZINC001144581038 1095717641 /nfs/dbraw/zinc/71/76/41/1095717641.db2.gz LNQCLEKXMXRBSO-UHFFFAOYSA-N 0 3 322.408 3.115 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC001171203542 1095748022 /nfs/dbraw/zinc/74/80/22/1095748022.db2.gz NVRMWLZCDCOJNL-MRXNPFEDSA-N 0 3 323.415 3.451 20 30 DGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C)C[C@@H]1c1ccccc1 ZINC001171204321 1095755908 /nfs/dbraw/zinc/75/59/08/1095755908.db2.gz VTOQKTIQHNMRAY-DYESRHJHSA-N 0 3 319.452 3.478 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)ccc(F)c3Cl)CCC2S1 ZINC001138001071 1095824579 /nfs/dbraw/zinc/82/45/79/1095824579.db2.gz QPWPEHUFAWIDEO-LBPRGKRZSA-N 0 3 315.772 3.392 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001091249532 1095850936 /nfs/dbraw/zinc/85/09/36/1095850936.db2.gz UIBSMAVAJZCAEO-UHFFFAOYSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)OCCCCCC)C2)C1 ZINC001276861581 1095857681 /nfs/dbraw/zinc/85/76/81/1095857681.db2.gz FITXKHDWSMZZCL-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(c2cccc(O)c2)CC1 ZINC001171230397 1095867051 /nfs/dbraw/zinc/86/70/51/1095867051.db2.gz VBYCFYJOLCCKIK-INIZCTEOSA-N 0 3 321.424 3.017 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(-c2ccccc2C)nn1C ZINC001340117156 1095868755 /nfs/dbraw/zinc/86/87/55/1095868755.db2.gz SWFKCKOWWKZNMU-HNNXBMFYSA-N 0 3 312.417 3.018 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001340128924 1095875866 /nfs/dbraw/zinc/87/58/66/1095875866.db2.gz MWTXCDNLDPITQU-BDJLRTHQSA-N 0 3 308.372 3.094 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc(C)c2C)C1 ZINC001091350772 1095906956 /nfs/dbraw/zinc/90/69/56/1095906956.db2.gz QQMBZQSDCFTGCF-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2occ3c2CCCC3)C1 ZINC001091344344 1095908294 /nfs/dbraw/zinc/90/82/94/1095908294.db2.gz WQPSYJIGBJQONN-UHFFFAOYSA-N 0 3 322.836 3.009 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001091341729 1095908347 /nfs/dbraw/zinc/90/83/47/1095908347.db2.gz POUDSVHZEMTPNG-UHFFFAOYSA-N 0 3 306.837 3.154 20 30 DGEDHN C=C(C)CCc1ccccc1NC(=N)c1ccc(C(N)=O)cc1 ZINC001171255953 1095946778 /nfs/dbraw/zinc/94/67/78/1095946778.db2.gz BSOROLMLOFZNCY-UHFFFAOYSA-N 0 3 307.397 3.331 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001276884091 1095951659 /nfs/dbraw/zinc/95/16/59/1095951659.db2.gz PBNKCGJVIPCBDX-ZIAGYGMSSA-N 0 3 322.399 3.432 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC001340426815 1095951972 /nfs/dbraw/zinc/95/19/72/1095951972.db2.gz BEWNBCLNTUZJJQ-LSDHHAIUSA-N 0 3 306.454 3.151 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001276893255 1095979986 /nfs/dbraw/zinc/97/99/86/1095979986.db2.gz XTTBMWXGBDTPGM-RDJZCZTQSA-N 0 3 315.461 3.166 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@@H](C)CCCCC)C[C@]2(C)C1 ZINC001276906031 1096019296 /nfs/dbraw/zinc/01/92/96/1096019296.db2.gz INPPNMQHOQCWCG-YSIASYRMSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001276916449 1096052277 /nfs/dbraw/zinc/05/22/77/1096052277.db2.gz PDDGRGBJKPTGKV-SFHVURJKSA-N 0 3 300.446 3.003 20 30 DGEDHN CC#CCN1CCC(CNC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC001223816907 1096071772 /nfs/dbraw/zinc/07/17/72/1096071772.db2.gz OUUASKSODLUGOA-FQEVSTJZSA-N 0 3 324.468 3.032 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001276924112 1096075453 /nfs/dbraw/zinc/07/54/53/1096075453.db2.gz RUSWLHUOBHXIPY-IAGOWNOFSA-N 0 3 322.493 3.271 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001276941255 1096121718 /nfs/dbraw/zinc/12/17/18/1096121718.db2.gz ODSLBGCDEXREMJ-PXNSSMCTSA-N 0 3 312.457 3.047 20 30 DGEDHN C=CCCCCCCO[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)N2C ZINC001224360332 1096195383 /nfs/dbraw/zinc/19/53/83/1096195383.db2.gz PWKXHRIYNIQFHC-FJIDUMEYSA-N 0 3 309.450 3.306 20 30 DGEDHN CC#CCN1CCC(CNC(=O)CC/C=C\c2ccccc2)CC1 ZINC001224505722 1096227823 /nfs/dbraw/zinc/22/78/23/1096227823.db2.gz OQUJPWDGQHPTNP-XFFZJAGNSA-N 0 3 324.468 3.332 20 30 DGEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)CCCCC)CC1 ZINC001224771451 1096282514 /nfs/dbraw/zinc/28/25/14/1096282514.db2.gz HKXFXTHGBXZBIZ-QGZVFWFLSA-N 0 3 306.494 3.444 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)CCC=C(C)C)C2)C1 ZINC001148320752 1096349352 /nfs/dbraw/zinc/34/93/52/1096349352.db2.gz GGCFZJGGWHNSIP-SFHVURJKSA-N 0 3 316.489 3.317 20 30 DGEDHN COc1cc(C#N)ccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001225193842 1096360397 /nfs/dbraw/zinc/36/03/97/1096360397.db2.gz RYBPIHRHRVOEAS-KRWDZBQOSA-N 0 3 308.381 3.220 20 30 DGEDHN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(CC#N)cc2)C1 ZINC001225268633 1096379226 /nfs/dbraw/zinc/37/92/26/1096379226.db2.gz YUQFDYFMKDUJDB-CRAIPNDOSA-N 0 3 307.397 3.362 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](CC)c3ccccc3)C2)C1 ZINC001148600327 1096401534 /nfs/dbraw/zinc/40/15/34/1096401534.db2.gz ZJLSIABRRQZLMJ-QGZVFWFLSA-N 0 3 312.457 3.291 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001277053614 1096464362 /nfs/dbraw/zinc/46/43/62/1096464362.db2.gz OBVPOWQXPAJLQZ-NNUKFRKNSA-N 0 3 317.820 3.018 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(CCc4ccccc4)CC3)C2)C1 ZINC001148941132 1096469660 /nfs/dbraw/zinc/46/96/60/1096469660.db2.gz DIYBWFXCHDVICF-UHFFFAOYSA-N 0 3 324.468 3.120 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCC3CCCC3)C2)CC1 ZINC001086899538 1096499245 /nfs/dbraw/zinc/49/92/45/1096499245.db2.gz LNFOKHDUWUAEOO-KRWDZBQOSA-N 0 3 316.489 3.293 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC(C)(C)C)C2)CC1 ZINC001086903552 1096502427 /nfs/dbraw/zinc/50/24/27/1096502427.db2.gz ISTVYBDULPUHCW-MRXNPFEDSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cscc3C)C2)CC1 ZINC001086914170 1096507480 /nfs/dbraw/zinc/50/74/80/1096507480.db2.gz GPWOJYMOCJXLHV-HNNXBMFYSA-N 0 3 316.470 3.006 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3CCC(=C)CC3)C2)CC1 ZINC001086941563 1096516406 /nfs/dbraw/zinc/51/64/06/1096516406.db2.gz XQNFYZLVFIKASC-KRWDZBQOSA-N 0 3 314.473 3.069 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)C3CCC3)C2)CC1 ZINC001086928522 1096518839 /nfs/dbraw/zinc/51/88/39/1096518839.db2.gz GHWCESOBRAYCLK-IAGOWNOFSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H]3C=CCCC3)C2)CC1 ZINC001086928976 1096519463 /nfs/dbraw/zinc/51/94/63/1096519463.db2.gz TVXFDHBVPDXTOS-ZWKOTPCHSA-N 0 3 314.473 3.069 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001277075577 1096539914 /nfs/dbraw/zinc/53/99/14/1096539914.db2.gz YBQRMOXVWKEKCG-YEORSEQZSA-N 0 3 313.228 3.191 20 30 DGEDHN Cc1ccc(C#N)c(O[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001225860969 1096547489 /nfs/dbraw/zinc/54/74/89/1096547489.db2.gz TZWQPWGQTMZGNB-GOSISDBHSA-N 0 3 307.397 3.305 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001277092387 1096590690 /nfs/dbraw/zinc/59/06/90/1096590690.db2.gz DQHIRIVQLDWQTL-ZNEHSRBWSA-N 0 3 312.885 3.296 20 30 DGEDHN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC001226073341 1096605157 /nfs/dbraw/zinc/60/51/57/1096605157.db2.gz NUKJILUDOVFBOY-QZTJIDSGSA-N 0 3 316.420 3.002 20 30 DGEDHN N#Cc1ccc(C2CC2)nc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001226277223 1096651280 /nfs/dbraw/zinc/65/12/80/1096651280.db2.gz RWSCBQXXIQOYPD-GOSISDBHSA-N 0 3 319.408 3.484 20 30 DGEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001093379678 1096687723 /nfs/dbraw/zinc/68/77/23/1096687723.db2.gz FYZLDRACALYXBO-SJLPKXTDSA-N 0 3 316.489 3.005 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001277133163 1096707226 /nfs/dbraw/zinc/70/72/26/1096707226.db2.gz UCRBZONGZGFLDS-UHFFFAOYSA-N 0 3 306.837 3.291 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccccc3CCC)CCC[C@@H]12 ZINC001094465470 1096825592 /nfs/dbraw/zinc/82/55/92/1096825592.db2.gz KVVHSIRIQUWOND-TZIWHRDSSA-N 0 3 324.468 3.247 20 30 DGEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc4ccccc4o3)CCC[C@@H]12 ZINC001094574019 1096854626 /nfs/dbraw/zinc/85/46/26/1096854626.db2.gz RNQUOJMXJGRINO-UYAOXDASSA-N 0 3 322.408 3.040 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](CCC)CC2CCCCC2)CC1 ZINC001277188932 1096893984 /nfs/dbraw/zinc/89/39/84/1096893984.db2.gz DSHUGYZJIGTMTB-KRWDZBQOSA-N 0 3 304.478 3.245 20 30 DGEDHN Cc1cc(CN2CCC(NC(=O)C#CC(C)(C)C)CC2)cs1 ZINC001227281116 1096910842 /nfs/dbraw/zinc/91/08/42/1096910842.db2.gz MWTPIFVPGDYQHN-UHFFFAOYSA-N 0 3 318.486 3.187 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1ccccc1OC ZINC001171519843 1096916613 /nfs/dbraw/zinc/91/66/13/1096916613.db2.gz CIPUCQVEHFLDQS-CYBMUJFWSA-N 0 3 324.852 3.037 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC001277201091 1096917594 /nfs/dbraw/zinc/91/75/94/1096917594.db2.gz PJRGSSQRORDWNW-NWDGAFQWSA-N 0 3 308.800 3.049 20 30 DGEDHN N#Cc1coc(CN[C@@H]2CCc3cc(F)c(F)c(F)c3C2)c1 ZINC001171530417 1096919675 /nfs/dbraw/zinc/91/96/75/1096919675.db2.gz QPWKOMUWSNZMNO-LLVKDONJSA-N 0 3 306.287 3.216 20 30 DGEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N[C@H](C)c1ncc[nH]1 ZINC001277224566 1096959719 /nfs/dbraw/zinc/95/97/19/1096959719.db2.gz KBGDBEYGYNPVNY-RKVPGOIHSA-N 0 3 318.465 3.022 20 30 DGEDHN C=C(C)CCC(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001227607712 1096959774 /nfs/dbraw/zinc/95/97/74/1096959774.db2.gz YAHPZWGRYOXVRM-UHFFFAOYSA-N 0 3 316.445 3.002 20 30 DGEDHN CCCCCCCN1CC2(C1)SCC[C@H]2C(=O)N1CC=CC1 ZINC001277226118 1096963713 /nfs/dbraw/zinc/96/37/13/1096963713.db2.gz QWSRTXYKGKSGAP-INIZCTEOSA-N 0 3 322.518 3.163 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)CC1CC(F)(F)C1 ZINC001277227319 1096965267 /nfs/dbraw/zinc/96/52/67/1096965267.db2.gz IXQQVPTWRSDBTE-LLVKDONJSA-N 0 3 308.800 3.049 20 30 DGEDHN CCCCCCCCC(=O)NCCCNCc1cnc(C)o1 ZINC001171818380 1096974127 /nfs/dbraw/zinc/97/41/27/1096974127.db2.gz JGVZLMMQMDMITR-UHFFFAOYSA-N 0 3 309.454 3.330 20 30 DGEDHN C=CC(C)(C)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001227766666 1096984777 /nfs/dbraw/zinc/98/47/77/1096984777.db2.gz VPLOLQLCCVJSAK-HNNXBMFYSA-N 0 3 303.450 3.018 20 30 DGEDHN C=CCN1CCN([C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171968318 1097011685 /nfs/dbraw/zinc/01/16/85/1097011685.db2.gz LDZZYDRZBHKCPJ-CQSZACIVSA-N 0 3 312.379 3.440 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001227967447 1097022368 /nfs/dbraw/zinc/02/23/68/1097022368.db2.gz NBEPBTAJTZNZTG-HZPDHXFCSA-N 0 3 310.869 3.340 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001228129337 1097057737 /nfs/dbraw/zinc/05/77/37/1097057737.db2.gz AYUUCLHKHNJQRC-USXIJHARSA-N 0 3 319.449 3.102 20 30 DGEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCC(C)C)C1 ZINC001277285333 1097079278 /nfs/dbraw/zinc/07/92/78/1097079278.db2.gz OIUCUPWSJYNRRR-ROUUACIJSA-N 0 3 304.478 3.149 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1cc(F)ccc1F ZINC001172304314 1097095011 /nfs/dbraw/zinc/09/50/11/1097095011.db2.gz JKCYTAAAUUSLRH-KZULUSFZSA-N 0 3 316.351 3.091 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC001172306754 1097095558 /nfs/dbraw/zinc/09/55/58/1097095558.db2.gz ARQAKMCXAOOGLD-MRXNPFEDSA-N 0 3 321.424 3.017 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC001172309784 1097096540 /nfs/dbraw/zinc/09/65/40/1097096540.db2.gz WXAYSKJZINUECL-MRXNPFEDSA-N 0 3 323.415 3.451 20 30 DGEDHN Cc1ccnc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172319729 1097100130 /nfs/dbraw/zinc/10/01/30/1097100130.db2.gz QJLANUMMACBAIT-QGZVFWFLSA-N 0 3 320.440 3.015 20 30 DGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(OC2CCC2)ncn1 ZINC001172299271 1097109814 /nfs/dbraw/zinc/10/98/14/1097109814.db2.gz JAWUXBFFWDEXBF-CQSZACIVSA-N 0 3 322.412 3.000 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001228413593 1097115994 /nfs/dbraw/zinc/11/59/94/1097115994.db2.gz NIWKLTQCXHQPPL-NUJGCVRESA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001277315314 1097147826 /nfs/dbraw/zinc/14/78/26/1097147826.db2.gz UOHNVNQCPSLITK-OCCSQVGLSA-N 0 3 312.841 3.319 20 30 DGEDHN CC(C)COCC[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001172467111 1097164719 /nfs/dbraw/zinc/16/47/19/1097164719.db2.gz JUPPIIUGNLAQST-KRWDZBQOSA-N 0 3 315.461 3.131 20 30 DGEDHN C[C@@H](CCCC#N)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001172495098 1097168830 /nfs/dbraw/zinc/16/88/30/1097168830.db2.gz BKKDXOCGIGNWSX-ZNMIVQPWSA-N 0 3 309.454 3.398 20 30 DGEDHN C[C@@H](CCCC#N)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172497392 1097171057 /nfs/dbraw/zinc/17/10/57/1097171057.db2.gz BKKDXOCGIGNWSX-KKUMJFAQSA-N 0 3 309.454 3.398 20 30 DGEDHN CCOc1cccc(N2CCN([C@@H](C)CCCC#N)CC2)c1 ZINC001172499455 1097171910 /nfs/dbraw/zinc/17/19/10/1097171910.db2.gz XQBXBXXEXOQPKB-INIZCTEOSA-N 0 3 301.434 3.290 20 30 DGEDHN C=C[C@@H](C)[C@H](C)C(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001228748615 1097182216 /nfs/dbraw/zinc/18/22/16/1097182216.db2.gz MPDAJVZSXPSYIR-SJORKVTESA-N 0 3 324.509 3.088 20 30 DGEDHN CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001172545565 1097187788 /nfs/dbraw/zinc/18/77/88/1097187788.db2.gz KERKPFCVXVEVSD-IKGGRYGDSA-N 0 3 304.434 3.223 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cnoc1C(C)C ZINC001277329367 1097190468 /nfs/dbraw/zinc/19/04/68/1097190468.db2.gz QRFPGZUNVPJBJJ-GFCCVEGCSA-N 0 3 313.829 3.039 20 30 DGEDHN C=CCCCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001228928166 1097218942 /nfs/dbraw/zinc/21/89/42/1097218942.db2.gz XFRMBONXPNARBL-UHFFFAOYSA-N 0 3 306.475 3.493 20 30 DGEDHN C=CCCCC(=O)NC1CCN(Cc2sc(C)nc2C)CC1 ZINC001228927617 1097218955 /nfs/dbraw/zinc/21/89/55/1097218955.db2.gz HDWAODMUNUPBTP-UHFFFAOYSA-N 0 3 321.490 3.197 20 30 DGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Oc1nnccc1C#N ZINC001229603770 1097351308 /nfs/dbraw/zinc/35/13/08/1097351308.db2.gz FDSPDPJNRMIIFZ-QGZVFWFLSA-N 0 3 322.412 3.028 20 30 DGEDHN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccccc1CN(C)C ZINC001229698913 1097367943 /nfs/dbraw/zinc/36/79/43/1097367943.db2.gz IGQFUUOKVUPGHV-HNNXBMFYSA-N 0 3 305.418 3.413 20 30 DGEDHN CCCCCCCC[C@H](CCC)N1CC(N2CCNC(=O)C2)C1 ZINC001173310507 1097408130 /nfs/dbraw/zinc/40/81/30/1097408130.db2.gz WJLKRBNZHZWWQY-KRWDZBQOSA-N 0 3 323.525 3.022 20 30 DGEDHN CC[C@@H]1CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001173292265 1097415734 /nfs/dbraw/zinc/41/57/34/1097415734.db2.gz DRDJGZPXPSLYIL-GDBMZVCRSA-N 0 3 301.409 3.398 20 30 DGEDHN CC[C@@H]1CC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001173292269 1097416202 /nfs/dbraw/zinc/41/62/02/1097416202.db2.gz DRDJGZPXPSLYIL-ZBFHGGJFSA-N 0 3 301.409 3.398 20 30 DGEDHN C=CCOC1CCC(N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001173327596 1097418106 /nfs/dbraw/zinc/41/81/06/1097418106.db2.gz PEUGTWQESXAPIT-UHFFFAOYSA-N 0 3 319.367 3.344 20 30 DGEDHN CSc1ncc(Cl)c(CNC2CCC(CC#N)CC2)n1 ZINC001173328740 1097418935 /nfs/dbraw/zinc/41/89/35/1097418935.db2.gz LVZVQPOBPBVLAD-UHFFFAOYSA-N 0 3 310.854 3.414 20 30 DGEDHN C=CCOC1CCC(n2nc(CN)c3cc(OC)ccc32)CC1 ZINC001173317433 1097428363 /nfs/dbraw/zinc/42/83/63/1097428363.db2.gz ISIQUTPPCYBLQO-UHFFFAOYSA-N 0 3 315.417 3.190 20 30 DGEDHN CC(=O)N(CCCNCc1ccccc1C#N)Cc1ccccc1 ZINC001277447352 1097452878 /nfs/dbraw/zinc/45/28/78/1097452878.db2.gz IFLNGDKBKVMAPB-UHFFFAOYSA-N 0 3 321.424 3.087 20 30 DGEDHN C[C@H]1CN(C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173593362 1097466489 /nfs/dbraw/zinc/46/64/89/1097466489.db2.gz HIGDBWYTAXPSMB-SYJJWHGVSA-N 0 3 321.465 3.400 20 30 DGEDHN CC1(C#N)CCC(N2CCN(Cc3ccccc3F)CC2)CC1 ZINC001173595931 1097467359 /nfs/dbraw/zinc/46/73/59/1097467359.db2.gz CBWPWFSTWBSURH-UHFFFAOYSA-N 0 3 315.436 3.416 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001277457242 1097498159 /nfs/dbraw/zinc/49/81/59/1097498159.db2.gz DJIUHWPBKXMLFA-PKOBYXMFSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001230769790 1097580054 /nfs/dbraw/zinc/58/00/54/1097580054.db2.gz FETONQLPPPZBRW-SFHVURJKSA-N 0 3 315.461 3.283 20 30 DGEDHN C=CC(C)(C)C(=O)NCCCN(CC(=C)C)Cc1cccnc1 ZINC001230810728 1097595790 /nfs/dbraw/zinc/59/57/90/1097595790.db2.gz IZRKKXUCPRMOMB-UHFFFAOYSA-N 0 3 315.461 3.178 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C(C)(C)CC)Cc1cccnc1 ZINC001230829347 1097600076 /nfs/dbraw/zinc/60/00/76/1097600076.db2.gz GEQCJYXVBQHJQU-UHFFFAOYSA-N 0 3 317.477 3.402 20 30 DGEDHN C=C(C)CN(CCCNC(=O)C[C@H]1C[C@@H]1C)Cc1cccnc1 ZINC001230839058 1097603975 /nfs/dbraw/zinc/60/39/75/1097603975.db2.gz ZLPIKIDGOJONKZ-FUHWJXTLSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCC1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)CCCC1 ZINC001230929457 1097624150 /nfs/dbraw/zinc/62/41/50/1097624150.db2.gz ZJPOQTURQTXNJX-DLBZAZTESA-N 0 3 319.493 3.391 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001277473515 1097629471 /nfs/dbraw/zinc/62/94/71/1097629471.db2.gz FFYJJWDTJWQXKZ-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC/C=C\CCC ZINC001231095847 1097668028 /nfs/dbraw/zinc/66/80/28/1097668028.db2.gz UNIQUFVBXFWVEE-XRZRDHLVSA-N 0 3 322.493 3.247 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)CC[C@H](C)CC)C2)CC1 ZINC001277495529 1097693720 /nfs/dbraw/zinc/69/37/20/1097693720.db2.gz FSSJFPFLGXYIRL-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001231248443 1097702544 /nfs/dbraw/zinc/70/25/44/1097702544.db2.gz WAPQXRTVBGGIGH-MRXNPFEDSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncoc1CC ZINC001231344097 1097725809 /nfs/dbraw/zinc/72/58/09/1097725809.db2.gz YWVWIWRQPZBPDD-OAHLLOKOSA-N 0 3 319.449 3.130 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001277531253 1097778213 /nfs/dbraw/zinc/77/82/13/1097778213.db2.gz OGWHNODIPJXESG-YJBOKZPZSA-N 0 3 310.457 3.261 20 30 DGEDHN CC(=O)[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578406 1097783467 /nfs/dbraw/zinc/78/34/67/1097783467.db2.gz MUPACSVFWVGDMP-HXUWFJFHSA-N 0 3 303.405 3.497 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC001231618242 1097792965 /nfs/dbraw/zinc/79/29/65/1097792965.db2.gz CEGSGCRCYPVZFG-UHFFFAOYSA-N 0 3 315.461 3.265 20 30 DGEDHN C=CCOc1cccc(CN2CCC[C@@H](CC(=O)OC)C2)c1 ZINC001231624012 1097794147 /nfs/dbraw/zinc/79/41/47/1097794147.db2.gz CXYSZENKSGGWBY-INIZCTEOSA-N 0 3 303.402 3.027 20 30 DGEDHN Cc1cc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)ccn1 ZINC001174652840 1097804320 /nfs/dbraw/zinc/80/43/20/1097804320.db2.gz GSNIPNDQMXIXPN-UHFFFAOYSA-N 0 3 309.760 3.266 20 30 DGEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3cccc(C)n3)C2)c1 ZINC001231662205 1097807887 /nfs/dbraw/zinc/80/78/87/1097807887.db2.gz BVELUGSWPLZNNY-LJQANCHMSA-N 0 3 306.409 3.415 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1nc(C)cs1 ZINC001174694659 1097827403 /nfs/dbraw/zinc/82/74/03/1097827403.db2.gz VDHXLUCNZVIOAT-ZDUSSCGKSA-N 0 3 323.506 3.428 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001174832682 1097851524 /nfs/dbraw/zinc/85/15/24/1097851524.db2.gz DKRSBOVZJFZNKX-GOEBONIOSA-N 0 3 321.465 3.350 20 30 DGEDHN C#CCCN(CCOC)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001174845234 1097865838 /nfs/dbraw/zinc/86/58/38/1097865838.db2.gz KVAOMHBTIULYDW-UHFFFAOYSA-N 0 3 317.429 3.114 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001174848359 1097867012 /nfs/dbraw/zinc/86/70/12/1097867012.db2.gz CGJDXGPWODFLSW-GOEBONIOSA-N 0 3 321.465 3.350 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccsc1C(F)F ZINC001174876524 1097875581 /nfs/dbraw/zinc/87/55/81/1097875581.db2.gz XIDAOHHCOFACOY-UHFFFAOYSA-N 0 3 308.781 3.148 20 30 DGEDHN C#CCCCCCCN1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC001175003128 1097907916 /nfs/dbraw/zinc/90/79/16/1097907916.db2.gz FXGFNNNLRCWEAM-AWEZNQCLSA-N 0 3 301.377 3.090 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001174986494 1097917245 /nfs/dbraw/zinc/91/72/45/1097917245.db2.gz IPFJXXQUUYMYDD-AWEZNQCLSA-N 0 3 309.479 3.264 20 30 DGEDHN O=C1C=C2CN(Cc3c(F)cc(F)cc3Cl)CCC2S1 ZINC001232098325 1097937765 /nfs/dbraw/zinc/93/77/65/1097937765.db2.gz SNVJINWPFRUXAT-CYBMUJFWSA-N 0 3 315.772 3.392 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H](C)C1CCCCC1 ZINC001175229408 1097980569 /nfs/dbraw/zinc/98/05/69/1097980569.db2.gz NZFIXNVKNAYRCA-CVEARBPZSA-N 0 3 307.482 3.143 20 30 DGEDHN COc1cccc(C[C@@H]2CCCN(Cc3cc(C#N)ccn3)C2)c1 ZINC001232482552 1098053686 /nfs/dbraw/zinc/05/36/86/1098053686.db2.gz YKPQPKRUWUPDPG-SFHVURJKSA-N 0 3 321.424 3.417 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001175467956 1098054275 /nfs/dbraw/zinc/05/42/75/1098054275.db2.gz AVTHLTNKDZRQSV-CQSZACIVSA-N 0 3 321.465 3.350 20 30 DGEDHN COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1-n1cnc(C)c1 ZINC001232563807 1098079133 /nfs/dbraw/zinc/07/91/33/1098079133.db2.gz YVPSRNPOTKLOOC-INIZCTEOSA-N 0 3 324.428 3.315 20 30 DGEDHN O=C1C=C2CN(Cc3ccc4ncsc4c3)CCC2S1 ZINC001232740309 1098125108 /nfs/dbraw/zinc/12/51/08/1098125108.db2.gz ZTWFKNMTZWNVFP-ZDUSSCGKSA-N 0 3 302.424 3.070 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1c[nH]cc1-c1ccccc1 ZINC001176096490 1098247831 /nfs/dbraw/zinc/24/78/31/1098247831.db2.gz SEDQRWJFSZSIQN-UHFFFAOYSA-N 0 3 317.820 3.144 20 30 DGEDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386630 1098311137 /nfs/dbraw/zinc/31/11/37/1098311137.db2.gz BMXRQZCRDGKVOL-ROUUACIJSA-N 0 3 313.445 3.103 20 30 DGEDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386630 1098311145 /nfs/dbraw/zinc/31/11/45/1098311145.db2.gz BMXRQZCRDGKVOL-ROUUACIJSA-N 0 3 313.445 3.103 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCCOCC=C ZINC001233490210 1098348600 /nfs/dbraw/zinc/34/86/00/1098348600.db2.gz OQXYFAKVKADZFO-GOSISDBHSA-N 0 3 322.493 3.248 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1cc2ccccc2o1 ZINC001277802314 1098415126 /nfs/dbraw/zinc/41/51/26/1098415126.db2.gz ZGVFRMUNEJEGBE-HNNXBMFYSA-N 0 3 312.413 3.173 20 30 DGEDHN [O-]c1c(C[NH+]2CCC(S)CC2)cccc1OC(F)(F)F ZINC001233761631 1098425009 /nfs/dbraw/zinc/42/50/09/1098425009.db2.gz WZKVDLHHMDOLBK-UHFFFAOYSA-N 0 3 307.337 3.185 20 30 DGEDHN C=C[C@@H](CC(=O)NCCCNCC(=C)Cl)c1ccccc1 ZINC001176763193 1098434969 /nfs/dbraw/zinc/43/49/69/1098434969.db2.gz TTYVEFUZPXJIHZ-HNNXBMFYSA-N 0 3 306.837 3.195 20 30 DGEDHN C=C(Br)CN1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001176887456 1098447794 /nfs/dbraw/zinc/44/77/94/1098447794.db2.gz RQNXHDFVKCDJLA-ZIAGYGMSSA-N 0 3 301.272 3.090 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@H](CC)c1ccccc1 ZINC001233914853 1098456183 /nfs/dbraw/zinc/45/61/83/1098456183.db2.gz GTAYDVALGYBVMK-RTBURBONSA-N 0 3 312.457 3.474 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCOCC1 ZINC001233937088 1098461905 /nfs/dbraw/zinc/46/19/05/1098461905.db2.gz LDTSJKWGFYIAFO-MSOLQXFVSA-N 0 3 324.509 3.306 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1cccc(C)c1 ZINC001233947091 1098463704 /nfs/dbraw/zinc/46/37/04/1098463704.db2.gz ITYAJRYLLRRMGP-IEBWSBKVSA-N 0 3 312.457 3.392 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CCCC1CCCC1 ZINC001233965290 1098468154 /nfs/dbraw/zinc/46/81/54/1098468154.db2.gz AIQOXMSQVLMNPI-SFHVURJKSA-N 0 3 304.478 3.293 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001234004742 1098474838 /nfs/dbraw/zinc/47/48/38/1098474838.db2.gz YGPGNFNEBLFNMN-KKUMJFAQSA-N 0 3 316.436 3.391 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001177099883 1098477449 /nfs/dbraw/zinc/47/74/49/1098477449.db2.gz UMVGFBRHTVQOOO-CQSZACIVSA-N 0 3 308.853 3.022 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001234039950 1098482786 /nfs/dbraw/zinc/48/27/86/1098482786.db2.gz RHXKPMGLROTECC-KKUMJFAQSA-N 0 3 314.420 3.167 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(C)C)s1 ZINC001177147632 1098484047 /nfs/dbraw/zinc/48/40/47/1098484047.db2.gz OGGDYJOHPQHRTF-UHFFFAOYSA-N 0 3 300.855 3.334 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1sccc1F ZINC001234058270 1098487650 /nfs/dbraw/zinc/48/76/50/1098487650.db2.gz HKMSMFNORZJBEU-QWHCGFSZSA-N 0 3 310.438 3.388 20 30 DGEDHN COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1-n1ccnc1 ZINC001234066826 1098489232 /nfs/dbraw/zinc/48/92/32/1098489232.db2.gz QAKKCZFOOJDKBA-HNNXBMFYSA-N 0 3 310.401 3.007 20 30 DGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC(OCC)C1 ZINC001234077603 1098491174 /nfs/dbraw/zinc/49/11/74/1098491174.db2.gz BWAIJOLVWWHGST-LXPRWKDFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)c1ccc[nH]1 ZINC001177215317 1098492990 /nfs/dbraw/zinc/49/29/90/1098492990.db2.gz KMKLIXXMJMYZOZ-UHFFFAOYSA-N 0 3 323.868 3.379 20 30 DGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)C(C)(C)F ZINC001177191777 1098494459 /nfs/dbraw/zinc/49/44/59/1098494459.db2.gz FAMNTFMTCAOVAQ-UHFFFAOYSA-N 0 3 318.864 3.486 20 30 DGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001277834219 1098502330 /nfs/dbraw/zinc/50/23/30/1098502330.db2.gz CTFSCMZSFARBGD-ZDUSSCGKSA-N 0 3 319.474 3.159 20 30 DGEDHN CCC(C)(C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001277834284 1098503070 /nfs/dbraw/zinc/50/30/70/1098503070.db2.gz DNCWDLKXOLWZGF-ZDUSSCGKSA-N 0 3 321.490 3.383 20 30 DGEDHN C[C@H](c1ccccn1)N1CCC[C@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144964 1098504189 /nfs/dbraw/zinc/50/41/89/1098504189.db2.gz YKHYIXWRASYJOY-PBHICJAKSA-N 0 3 323.396 3.263 20 30 DGEDHN CC1=CC(=O)C[C@H](c2ccc(O[C@H]3CN4CCC3CC4)cc2)O1 ZINC001234159080 1098506763 /nfs/dbraw/zinc/50/67/63/1098506763.db2.gz LUHNNKYTRXSLAQ-MOPGFXCFSA-N 0 3 313.397 3.094 20 30 DGEDHN CN(C[C@H]1CCN1CC/C=C\c1ccccc1)C(=O)C#CC1CC1 ZINC001234177372 1098510194 /nfs/dbraw/zinc/51/01/94/1098510194.db2.gz AZXIZDDCKJKDJE-FMSOUQGNSA-N 0 3 322.452 3.036 20 30 DGEDHN C#CCCCCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001277838989 1098513553 /nfs/dbraw/zinc/51/35/53/1098513553.db2.gz UFZDQKGIYMUIGC-KRWDZBQOSA-N 0 3 316.420 3.100 20 30 DGEDHN CCC/C=C/CCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206196 1098514863 /nfs/dbraw/zinc/51/48/63/1098514863.db2.gz OPWLIDLBMZQNOQ-IJDCCNJMSA-N 0 3 304.478 3.315 20 30 DGEDHN CN(C[C@H]1CCN1CCC1=CCCCC1)C(=O)C#CC(C)(C)C ZINC001234214986 1098515404 /nfs/dbraw/zinc/51/54/04/1098515404.db2.gz GWYABSMAWYQSGU-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCCCCC ZINC001234277278 1098527128 /nfs/dbraw/zinc/52/71/28/1098527128.db2.gz YPGKIFJPORZYRO-QZTJIDSGSA-N 0 3 324.509 3.471 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](OCC)C1=CCCC1 ZINC001234322145 1098537160 /nfs/dbraw/zinc/53/71/60/1098537160.db2.gz FYEDOKQCZPBOAT-MSOLQXFVSA-N 0 3 320.477 3.001 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001234393304 1098546437 /nfs/dbraw/zinc/54/64/37/1098546437.db2.gz YLOFGHBAJTUYBR-FHWLQOOXSA-N 0 3 312.457 3.289 20 30 DGEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCCCC1(C)C ZINC001177556438 1098561302 /nfs/dbraw/zinc/56/13/02/1098561302.db2.gz QXBLJWJSWHVYOL-CQSZACIVSA-N 0 3 300.874 3.441 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C1(CC)CCC(F)(F)CC1 ZINC001277863014 1098578819 /nfs/dbraw/zinc/57/88/19/1098578819.db2.gz MLKPGFFTKGELAD-AWEZNQCLSA-N 0 3 314.420 3.052 20 30 DGEDHN C=CCCC(=O)NCCCCCCNCc1cc(C2CC2)no1 ZINC001178008154 1098676507 /nfs/dbraw/zinc/67/65/07/1098676507.db2.gz UCSPOTHRGFFFPN-UHFFFAOYSA-N 0 3 319.449 3.284 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)CCC1 ZINC001235209355 1098879793 /nfs/dbraw/zinc/87/97/93/1098879793.db2.gz KSHUCKCHOMUADI-SFHVURJKSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC/C=C/CC)CCC1 ZINC001235210452 1098882176 /nfs/dbraw/zinc/88/21/76/1098882176.db2.gz SRRKSRWXPLNBMK-LXXRFIIISA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC001178754782 1098925707 /nfs/dbraw/zinc/92/57/07/1098925707.db2.gz VUDWCYAUQBXIHN-UHFFFAOYSA-N 0 3 307.393 3.313 20 30 DGEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CCCC(C)C ZINC001235372741 1098983451 /nfs/dbraw/zinc/98/34/51/1098983451.db2.gz BEYUFPUYJJYPRZ-QGZVFWFLSA-N 0 3 317.477 3.257 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COCCCCCCCC ZINC001235376997 1098985526 /nfs/dbraw/zinc/98/55/26/1098985526.db2.gz UEPUHNDAXKYMGM-GOSISDBHSA-N 0 3 324.509 3.472 20 30 DGEDHN C=CCCSCCNCc1ccc(F)c(F)c1N(C)C ZINC001179099570 1099008032 /nfs/dbraw/zinc/00/80/32/1099008032.db2.gz AOXRLSPOVBBBML-UHFFFAOYSA-N 0 3 300.418 3.430 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001235469487 1099053595 /nfs/dbraw/zinc/05/35/95/1099053595.db2.gz FQXVCGYLFIKSDX-DZGCQCFKSA-N 0 3 317.433 3.053 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179306575 1099057412 /nfs/dbraw/zinc/05/74/12/1099057412.db2.gz IJCKTXCUTGQMEK-GJZGRUSLSA-N 0 3 321.465 3.207 20 30 DGEDHN CCCC[C@@H](CC)CN1CCO[C@H]2CN(CCCCC#N)C[C@@H]21 ZINC001277949316 1099064772 /nfs/dbraw/zinc/06/47/72/1099064772.db2.gz VRHJSXVTWDRTKY-QYZOEREBSA-N 0 3 321.509 3.282 20 30 DGEDHN N#CCc1ccccc1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001235511587 1099068700 /nfs/dbraw/zinc/06/87/00/1099068700.db2.gz ILDNAAPVMLOONV-ZIAGYGMSSA-N 0 3 300.299 3.332 20 30 DGEDHN CCCc1noc(C2CCN(Cc3ccccc3CC#N)CC2)n1 ZINC001235529555 1099077430 /nfs/dbraw/zinc/07/74/30/1099077430.db2.gz OAMCEDNGUWHVHA-UHFFFAOYSA-N 0 3 324.428 3.468 20 30 DGEDHN Cc1cccnc1OC1CCN(Cc2ccccc2CC#N)CC1 ZINC001235529220 1099078281 /nfs/dbraw/zinc/07/82/81/1099078281.db2.gz XXDHUXKVZKIQLC-UHFFFAOYSA-N 0 3 321.424 3.500 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179380556 1099087107 /nfs/dbraw/zinc/08/71/07/1099087107.db2.gz LXCXZOOVOJUHCY-HBFSDRIKSA-N 0 3 324.468 3.219 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1ccsc1 ZINC001235634869 1099104807 /nfs/dbraw/zinc/10/48/07/1099104807.db2.gz UTZQLHUREYCINM-INIZCTEOSA-N 0 3 306.475 3.180 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001179455052 1099105750 /nfs/dbraw/zinc/10/57/50/1099105750.db2.gz PHXGENPYBURYOZ-GUYCJALGSA-N 0 3 322.399 3.400 20 30 DGEDHN N#Cc1cccc(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)c1 ZINC001235934939 1099269542 /nfs/dbraw/zinc/26/95/42/1099269542.db2.gz BPAVTNZLRFAJJC-WOJBJXKFSA-N 0 3 323.415 3.260 20 30 DGEDHN CCc1cc(NC(=O)CN(C)C2CCCC2)cc(CC)c1C#N ZINC001180629638 1099476955 /nfs/dbraw/zinc/47/69/55/1099476955.db2.gz RNTDIJRUIXHFCJ-UHFFFAOYSA-N 0 3 313.445 3.496 20 30 DGEDHN CCc1ccccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001187619508 1099560711 /nfs/dbraw/zinc/56/07/11/1099560711.db2.gz KUWDFGVYJSLXME-CQSZACIVSA-N 0 3 302.399 3.055 20 30 DGEDHN N#Cc1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)c(F)c1 ZINC001236531974 1099668099 /nfs/dbraw/zinc/66/80/99/1099668099.db2.gz SGRYGCCFBHCLFP-LJQANCHMSA-N 0 3 321.355 3.278 20 30 DGEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)cc(F)c1)CC2 ZINC001273557521 1099728190 /nfs/dbraw/zinc/72/81/90/1099728190.db2.gz TYBUQRTWPNFYQM-KRWDZBQOSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001188493277 1099777759 /nfs/dbraw/zinc/77/77/59/1099777759.db2.gz TVPFSFLRTICKFP-ZDUSSCGKSA-N 0 3 323.824 3.121 20 30 DGEDHN COc1cc(C)c(CN2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001236807396 1099799979 /nfs/dbraw/zinc/79/99/79/1099799979.db2.gz GPVBGVCWSZYVBI-UHFFFAOYSA-N 0 3 308.381 3.139 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001189278763 1099997290 /nfs/dbraw/zinc/99/72/90/1099997290.db2.gz BNUXUTRYUOFDEL-KRWDZBQOSA-N 0 3 304.409 3.133 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1occc1[S-])C2 ZINC001237178209 1100014528 /nfs/dbraw/zinc/01/45/28/1100014528.db2.gz WHKCLQPGJDISER-SJORKVTESA-N 0 3 323.458 3.142 20 30 DGEDHN C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1occc1[S-])C2 ZINC001237178209 1100014533 /nfs/dbraw/zinc/01/45/33/1100014533.db2.gz WHKCLQPGJDISER-SJORKVTESA-N 0 3 323.458 3.142 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)[C@H](CCC)c2ccccn2)CC1 ZINC001278070744 1100056223 /nfs/dbraw/zinc/05/62/23/1100056223.db2.gz AJPGFQFYGAZEFQ-MRXNPFEDSA-N 0 3 315.461 3.122 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CCCc1sccc1C ZINC001273584703 1100100524 /nfs/dbraw/zinc/10/05/24/1100100524.db2.gz VPDPPJCCUYRJHY-UHFFFAOYSA-N 0 3 320.502 3.183 20 30 DGEDHN Cn1cc(CN2CC[C@H]3OCCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237464213 1100132693 /nfs/dbraw/zinc/13/26/93/1100132693.db2.gz CWKMDTKKEAWLRT-HNAYVOBHSA-N 0 3 309.413 3.051 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001189910005 1100148751 /nfs/dbraw/zinc/14/87/51/1100148751.db2.gz KNYOIJLWDDOCQT-QGZVFWFLSA-N 0 3 318.848 3.176 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001189925906 1100152753 /nfs/dbraw/zinc/15/27/53/1100152753.db2.gz HYDXGEUHCUKFBN-YJBOKZPZSA-N 0 3 316.420 3.223 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190004563 1100185240 /nfs/dbraw/zinc/18/52/40/1100185240.db2.gz QARHPASIWGQGSP-CRAIPNDOSA-N 0 3 316.420 3.079 20 30 DGEDHN C=C1CC=C(F)C=C1NC(=O)c1cnc(-c2ccccc2)nc1O ZINC001190270668 1100230492 /nfs/dbraw/zinc/23/04/92/1100230492.db2.gz UWZNYFYRQZZZFM-UHFFFAOYSA-N 0 3 323.327 3.276 20 30 DGEDHN C=CC[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2CN(CC=C)C[C@H]21 ZINC001190280928 1100239690 /nfs/dbraw/zinc/23/96/90/1100239690.db2.gz CCWWIOCOKWMQKN-HSALFYBXSA-N 0 3 324.468 3.140 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190361336 1100255019 /nfs/dbraw/zinc/25/50/19/1100255019.db2.gz FCBZNYRIBLRSPS-QZTJIDSGSA-N 0 3 324.509 3.328 20 30 DGEDHN CCCCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001151880038 1100299747 /nfs/dbraw/zinc/29/97/47/1100299747.db2.gz MPLMQIGFXSFYCX-MRXNPFEDSA-N 0 3 315.461 3.465 20 30 DGEDHN O=C1C=C2CN(Cc3cncc(Cl)c3Cl)CCC2S1 ZINC001238005897 1100325078 /nfs/dbraw/zinc/32/50/78/1100325078.db2.gz UXOOCMUUWONLSN-NSHDSACASA-N 0 3 315.225 3.163 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCC1(C)C)C1CCN(CC(=C)C)CC1 ZINC001278177273 1100328686 /nfs/dbraw/zinc/32/86/86/1100328686.db2.gz MMZGWICXMCGJQM-SFHVURJKSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(O)ccc1C)C2 ZINC001238099386 1100359720 /nfs/dbraw/zinc/35/97/20/1100359720.db2.gz OXBCNCTXUNSEPC-RBUKOAKNSA-N 0 3 317.429 3.027 20 30 DGEDHN CCCCCCCNC(=O)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001191104907 1100400989 /nfs/dbraw/zinc/40/09/89/1100400989.db2.gz WMIMRCUXPNVXQO-JKSUJKDBSA-N 0 3 313.461 3.175 20 30 DGEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1=CCCCCC1 ZINC001281934369 1100416809 /nfs/dbraw/zinc/41/68/09/1100416809.db2.gz ZJVHKJUJNVNOBS-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@H]1C ZINC001278250340 1100475373 /nfs/dbraw/zinc/47/53/73/1100475373.db2.gz HUSTZNMDGURTQC-RHSMWYFYSA-N 0 3 318.848 3.078 20 30 DGEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)[C@H]1C ZINC001278252165 1100476147 /nfs/dbraw/zinc/47/61/47/1100476147.db2.gz STTQGAHQTHZZNE-CRAIPNDOSA-N 0 3 316.420 3.017 20 30 DGEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001191622568 1100491268 /nfs/dbraw/zinc/49/12/68/1100491268.db2.gz RDXBUCCRFLWQLY-QZTJIDSGSA-N 0 3 324.509 3.089 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191789717 1100521641 /nfs/dbraw/zinc/52/16/41/1100521641.db2.gz HYNFCCZMUMSDQJ-ZMHGOHSBSA-N 0 3 323.440 3.113 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001278287251 1100572005 /nfs/dbraw/zinc/57/20/05/1100572005.db2.gz ZGTMSLAPESGYFC-ULKRZLGRSA-N 0 3 322.452 3.140 20 30 DGEDHN C=CCC1(C(=O)NCCNCc2scnc2C)CCCCC1 ZINC001152010111 1100585914 /nfs/dbraw/zinc/58/59/14/1100585914.db2.gz BZVYLBQWRNHLPY-UHFFFAOYSA-N 0 3 321.490 3.184 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2[C@H](C)CNC[C@@H]2C)c1 ZINC001239269770 1100617010 /nfs/dbraw/zinc/61/70/10/1100617010.db2.gz UGSVQKVAWPVKMS-GASCZTMLSA-N 0 3 315.461 3.347 20 30 DGEDHN CCCCCCCNC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001239279177 1100620114 /nfs/dbraw/zinc/62/01/14/1100620114.db2.gz OZGVEEBOHHOMQB-ZWKOTPCHSA-N 0 3 315.461 3.238 20 30 DGEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN[C@@H](CC)C2)c1 ZINC001239283293 1100620926 /nfs/dbraw/zinc/62/09/26/1100620926.db2.gz AZZHKJHWHOJLOV-KRWDZBQOSA-N 0 3 315.461 3.348 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192502241 1100626764 /nfs/dbraw/zinc/62/67/64/1100626764.db2.gz SXNVXESCKYAABR-DLBZAZTESA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001192550968 1100632728 /nfs/dbraw/zinc/63/27/28/1100632728.db2.gz MTVZASKIXPPKJC-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001192586413 1100638756 /nfs/dbraw/zinc/63/87/56/1100638756.db2.gz OGHRKUOFRKGBMI-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)[C@H]1C ZINC001193608055 1100771223 /nfs/dbraw/zinc/77/12/23/1100771223.db2.gz XCNYZVFPCGQHFC-YESZJQIVSA-N 0 3 313.445 3.442 20 30 DGEDHN CN1CCN(Cc2cccc(-c3cc(CC#N)ccc3F)c2)CC1 ZINC001240300141 1100931421 /nfs/dbraw/zinc/93/14/21/1100931421.db2.gz XVDVICXIUCYKHH-UHFFFAOYSA-N 0 3 323.415 3.306 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](C)SC)CC1 ZINC001194913143 1101036577 /nfs/dbraw/zinc/03/65/77/1101036577.db2.gz RFWSUBCHQNJEIB-HNNXBMFYSA-N 0 3 300.512 3.243 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)[C@H](C)OCC2CC2)CC1 ZINC001195159865 1101089057 /nfs/dbraw/zinc/08/90/57/1101089057.db2.gz UVDAOYLUOXEUOI-KRWDZBQOSA-N 0 3 324.509 3.306 20 30 DGEDHN C=CCCC(=O)N1CCCN(CCc2ccccc2CC)CC1 ZINC001195226200 1101102945 /nfs/dbraw/zinc/10/29/45/1101102945.db2.gz NYMAGEUAKAUGKI-UHFFFAOYSA-N 0 3 314.473 3.292 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2ncoc2CC)CC1 ZINC001195382521 1101133068 /nfs/dbraw/zinc/13/30/68/1101133068.db2.gz HAYQEQDFGQEEAU-UHFFFAOYSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cc(F)ccc1C ZINC001195934285 1101223015 /nfs/dbraw/zinc/22/30/15/1101223015.db2.gz OWMYWIBLFFRPPI-AWEZNQCLSA-N 0 3 307.438 3.071 20 30 DGEDHN C=CCCCN1CCCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC001196455100 1101321659 /nfs/dbraw/zinc/32/16/59/1101321659.db2.gz TZFQUNNPWGYEHJ-UHFFFAOYSA-N 0 3 304.434 3.319 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(CC)s1 ZINC001273727583 1101374975 /nfs/dbraw/zinc/37/49/75/1101374975.db2.gz QAKJJLSNEXPABB-GOSISDBHSA-N 0 3 318.486 3.454 20 30 DGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001196830494 1101401180 /nfs/dbraw/zinc/40/11/80/1101401180.db2.gz KWKWTMKMBXMVQM-QZTJIDSGSA-N 0 3 314.473 3.488 20 30 DGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001196854898 1101419207 /nfs/dbraw/zinc/41/92/07/1101419207.db2.gz VEKWYMIRTBWEQM-KBPBESRZSA-N 0 3 314.420 3.024 20 30 DGEDHN C=CCCCCCN1CCCN(C(=O)c2conc2CC)CC1 ZINC001197068747 1101470280 /nfs/dbraw/zinc/47/02/80/1101470280.db2.gz NEVYDGIKYVDVED-UHFFFAOYSA-N 0 3 319.449 3.131 20 30 DGEDHN N#Cc1c[nH]c2nc(C3=CCN(Cc4ccccc4)CC3)ncc12 ZINC001241501980 1101516336 /nfs/dbraw/zinc/51/63/36/1101516336.db2.gz KFCFIXLESHPCIS-UHFFFAOYSA-N 0 3 315.380 3.119 20 30 DGEDHN CCCCCCCN1CCCN(C(=O)c2nocc2C)CC1 ZINC001197699370 1101646109 /nfs/dbraw/zinc/64/61/09/1101646109.db2.gz SFBCYGFOWCABOP-UHFFFAOYSA-N 0 3 307.438 3.101 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)C1 ZINC001197700923 1101646347 /nfs/dbraw/zinc/64/63/47/1101646347.db2.gz AZAAVTVPQDWQTI-OWCLPIDISA-N 0 3 324.424 3.344 20 30 DGEDHN CCN1CCN(c2ccc(-c3nc(C)ccc3C#N)cc2)CC1 ZINC001241738851 1101671558 /nfs/dbraw/zinc/67/15/58/1101671558.db2.gz UCNGCKZFJVSWGM-UHFFFAOYSA-N 0 3 306.413 3.071 20 30 DGEDHN CCN1CCN(c2ccc(-c3cc(C)c(C#N)c(C)n3)cc2)CC1 ZINC001241743783 1101674856 /nfs/dbraw/zinc/67/48/56/1101674856.db2.gz PKFWCMZPNVRMOT-UHFFFAOYSA-N 0 3 320.440 3.379 20 30 DGEDHN CCN1CCN(c2ccc(-c3ccc(C#N)cc3C#N)cc2)CC1 ZINC001241743598 1101675389 /nfs/dbraw/zinc/67/53/89/1101675389.db2.gz FAZSSQATQQSBSW-UHFFFAOYSA-N 0 3 316.408 3.239 20 30 DGEDHN CCN1CCN(c2ccc(-c3cc(CC#N)cnc3F)cc2)CC1 ZINC001241746408 1101676910 /nfs/dbraw/zinc/67/69/10/1101676910.db2.gz VWGABSOFMGJUFW-UHFFFAOYSA-N 0 3 324.403 3.096 20 30 DGEDHN C=CCOC(=O)N1CCC2(CN(Cc3cccc(C)c3)C2)CC1 ZINC001203887441 1101695143 /nfs/dbraw/zinc/69/51/43/1101695143.db2.gz FZKKRMDZQVPPRL-UHFFFAOYSA-N 0 3 314.429 3.215 20 30 DGEDHN CCCCCCCCC(=O)N1CCCN([C@H](C)COC)CC1 ZINC001197928817 1101702706 /nfs/dbraw/zinc/70/27/06/1101702706.db2.gz UPSKTTRVGIIIAM-QGZVFWFLSA-N 0 3 312.498 3.306 20 30 DGEDHN Cc1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001197974950 1101722754 /nfs/dbraw/zinc/72/27/54/1101722754.db2.gz MLAZNXUAFRVPPS-CQSZACIVSA-N 0 3 318.467 3.274 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCN(CCCF)CC1)c1ccccc1 ZINC001198205401 1101779889 /nfs/dbraw/zinc/77/98/89/1101779889.db2.gz VRPTVAVVABJZHC-KRWDZBQOSA-N 0 3 318.436 3.240 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)CC1CCC1)c1ccccc1OC ZINC001198636254 1101936692 /nfs/dbraw/zinc/93/66/92/1101936692.db2.gz KFOGTZVXLUIDEA-KRWDZBQOSA-N 0 3 316.445 3.208 20 30 DGEDHN C=CCCN[C@H](CNC(=O)/C=C(/C)CC)c1ccccc1OC ZINC001198713042 1101971485 /nfs/dbraw/zinc/97/14/85/1101971485.db2.gz KPSPEQWQBVUNDK-AKMXKPQHSA-N 0 3 316.445 3.375 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCC(C)C)c1ccccc1OC ZINC001198752463 1101977604 /nfs/dbraw/zinc/97/76/04/1101977604.db2.gz QCQDFOPKDSQOIB-KRWDZBQOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198855608 1102000967 /nfs/dbraw/zinc/00/09/67/1102000967.db2.gz DKTQHRGTZHOLGQ-ZBFHGGJFSA-N 0 3 304.434 3.064 20 30 DGEDHN C=CCCN[C@@H](CNC(=O)C(C)(C)CC)c1ccccc1OC ZINC001198875915 1102019130 /nfs/dbraw/zinc/01/91/30/1102019130.db2.gz LOVIROHWSMFLAQ-INIZCTEOSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198885411 1102022659 /nfs/dbraw/zinc/02/26/59/1102022659.db2.gz GRTRFSOTEBWGHG-QFBILLFUSA-N 0 3 318.461 3.453 20 30 DGEDHN CC1(C)CC(=O)C=C(c2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001242316724 1102047676 /nfs/dbraw/zinc/04/76/76/1102047676.db2.gz WKGULEMMHCRGPE-LJQANCHMSA-N 0 3 324.424 3.373 20 30 DGEDHN Cc1cc(C#N)cc(-c2cc(OC3CCN(C)CC3)ccn2)c1 ZINC001242478832 1102156476 /nfs/dbraw/zinc/15/64/76/1102156476.db2.gz NEQKYXANXKAICA-UHFFFAOYSA-N 0 3 307.397 3.402 20 30 DGEDHN Cc1ccccc1[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539415 1102171467 /nfs/dbraw/zinc/17/14/67/1102171467.db2.gz RVYBUGBPHKHVTJ-ZSXHRAQDSA-N 0 3 322.452 3.191 20 30 DGEDHN C[NH+](C)CCOc1ccc(-c2ccc([O-])c(C#N)c2)cc1F ZINC001242566169 1102214499 /nfs/dbraw/zinc/21/44/99/1102214499.db2.gz LMTSPHBDNQYJIG-UHFFFAOYSA-N 0 3 300.333 3.010 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001273814504 1102317879 /nfs/dbraw/zinc/31/78/79/1102317879.db2.gz OOCGTVWLUBYUSU-FXAWDEMLSA-N 0 3 324.468 3.462 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001494885433 1102332115 /nfs/dbraw/zinc/33/21/15/1102332115.db2.gz SQLFCSQDXTVYHZ-SFHVURJKSA-N 0 3 320.477 3.002 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC(C)(C)CC)C2 ZINC001273841554 1102371106 /nfs/dbraw/zinc/37/11/06/1102371106.db2.gz UMPKNHGIODGFIH-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN N#Cc1cccc(N2CCN(CCCc3ccccc3)CC2)c1 ZINC001201671213 1102678847 /nfs/dbraw/zinc/67/88/47/1102678847.db2.gz CEUANUSMUZKZHG-UHFFFAOYSA-N 0 3 305.425 3.313 20 30 DGEDHN C=CC[C@H](CO)CNCc1cc2cccc(C)c2nc1Cl ZINC001201761038 1102719805 /nfs/dbraw/zinc/71/98/05/1102719805.db2.gz KZILRKOCOJUNEI-ZDUSSCGKSA-N 0 3 304.821 3.471 20 30 DGEDHN C#C[C@@H](NCc1cc2nc(Cl)ccc2s1)[C@H]1CCCO1 ZINC001202074803 1102834794 /nfs/dbraw/zinc/83/47/94/1102834794.db2.gz VOLOZIOCSGFDRF-DGCLKSJQSA-N 0 3 306.818 3.220 20 30 DGEDHN C=CCCCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202266886 1102903929 /nfs/dbraw/zinc/90/39/29/1102903929.db2.gz ONHBYHOSTNJGAU-ZRDIBKRKSA-N 0 3 305.249 3.242 20 30 DGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)c(OC)c2)C1 ZINC001278369216 1102915985 /nfs/dbraw/zinc/91/59/85/1102915985.db2.gz NMTRAHNAVPACGA-IBGZPJMESA-N 0 3 316.445 3.050 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(F)(F)F)C2 ZINC001111058049 1103029248 /nfs/dbraw/zinc/02/92/48/1103029248.db2.gz ZHUBNAPJHFESSL-UPJWGTAASA-N 0 3 304.356 3.017 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)C(C)C)C2 ZINC001111070560 1103034441 /nfs/dbraw/zinc/03/44/41/1103034441.db2.gz IBDIEIQQJNRWIA-ZRNYENFQSA-N 0 3 324.468 3.171 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CC1CCCC1)C2 ZINC001111093639 1103043526 /nfs/dbraw/zinc/04/35/26/1103043526.db2.gz GJTDPTHGXHUQPV-MKXGPGLRSA-N 0 3 316.489 3.338 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCCCCC)C2 ZINC001111172596 1103064187 /nfs/dbraw/zinc/06/41/87/1103064187.db2.gz JBSWYRKDCCBHGB-TVFCKZIOSA-N 0 3 304.478 3.338 20 30 DGEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001111174866 1103065214 /nfs/dbraw/zinc/06/52/14/1103065214.db2.gz BXJGFEAXBGKQNT-KFWWJZLASA-N 0 3 319.474 3.225 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001488684390 1103106906 /nfs/dbraw/zinc/10/69/06/1103106906.db2.gz ZGEWUSQVYYFDDW-ZIAGYGMSSA-N 0 3 320.399 3.464 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001488690260 1103108703 /nfs/dbraw/zinc/10/87/03/1103108703.db2.gz NXDJLTMFFGSSBM-GOSISDBHSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(c2ccccc2)CC1 ZINC001488687842 1103108964 /nfs/dbraw/zinc/10/89/64/1103108964.db2.gz HQJIPVCRCJHAFH-GOSISDBHSA-N 0 3 312.457 3.217 20 30 DGEDHN CN1CCN(Cc2cccc(NC3=CC[C@H](C#N)CC3)c2)CC1 ZINC001212863871 1103117324 /nfs/dbraw/zinc/11/73/24/1103117324.db2.gz IXNUBWVUORHMRC-INIZCTEOSA-N 0 3 310.445 3.053 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)OCCCCCC ZINC001325898732 1103155270 /nfs/dbraw/zinc/15/52/70/1103155270.db2.gz JCOIBPSTUIZUCG-FGTMMUONSA-N 0 3 322.493 3.223 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C2 ZINC001111279906 1103170330 /nfs/dbraw/zinc/17/03/30/1103170330.db2.gz LEOKDAKMYJUZAW-HZMVEIRTSA-N 0 3 304.478 3.194 20 30 DGEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001488861003 1103181215 /nfs/dbraw/zinc/18/12/15/1103181215.db2.gz VKORMACBHHEJNA-KOMQPUFPSA-N 0 3 318.436 3.412 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[C@@H](C)CCC)C2 ZINC001110596497 1103265080 /nfs/dbraw/zinc/26/50/80/1103265080.db2.gz LRRXZWYRVAGTEC-MLHJIOFPSA-N 0 3 304.478 3.338 20 30 DGEDHN CC(C)C#CC(=O)NCc1ccc([C@@H](C)NC/C=C/Cl)cc1 ZINC001326466340 1103327160 /nfs/dbraw/zinc/32/71/60/1103327160.db2.gz BUFGLMPXKKBNIX-XPMGFOTESA-N 0 3 318.848 3.365 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(C)c1 ZINC001489327676 1103360667 /nfs/dbraw/zinc/36/06/67/1103360667.db2.gz CPFVHYQLVIOOAY-INIZCTEOSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccccc1C ZINC001489337186 1103364052 /nfs/dbraw/zinc/36/40/52/1103364052.db2.gz AYOBQJBYEVUMOU-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1coc(C2CCC2)n1 ZINC001489331512 1103364281 /nfs/dbraw/zinc/36/42/81/1103364281.db2.gz UOJUPANBFKJQBX-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001114728970 1103413967 /nfs/dbraw/zinc/41/39/67/1103413967.db2.gz LRRRKWDPTKOTEJ-KMANFZQXSA-N 0 3 318.486 3.205 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@H](C)c2ccc(Cl)cc2)CCC1 ZINC001326877504 1103467919 /nfs/dbraw/zinc/46/79/19/1103467919.db2.gz LQUYIJPNVXSOMY-CQSZACIVSA-N 0 3 318.848 3.095 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001495339523 1103482542 /nfs/dbraw/zinc/48/25/42/1103482542.db2.gz DYCCSHTVWFCRBG-HOTGVXAUSA-N 0 3 310.869 3.314 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001276326690 1103495888 /nfs/dbraw/zinc/49/58/88/1103495888.db2.gz JDRVSCMEINXCJE-ROUUACIJSA-N 0 3 306.494 3.443 20 30 DGEDHN CCC(CC)Nc1ccncc1NC(=O)c1csc(C#N)c1 ZINC001327111741 1103529143 /nfs/dbraw/zinc/52/91/43/1103529143.db2.gz DIPVEMIBRUOJEH-UHFFFAOYSA-N 0 3 314.414 3.289 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)CC/C=C\c1ccccc1 ZINC001327257151 1103602799 /nfs/dbraw/zinc/60/27/99/1103602799.db2.gz CPWNKISRMMYUTD-ZROIWOOFSA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1C ZINC001493168483 1103629130 /nfs/dbraw/zinc/62/91/30/1103629130.db2.gz UIMUTGZQBGIZIW-MRXNPFEDSA-N 0 3 300.446 3.039 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460032312 1103652215 /nfs/dbraw/zinc/65/22/15/1103652215.db2.gz NGCFICHHFHUGOB-UHFFFAOYSA-N 0 3 311.813 3.188 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001490565542 1103660374 /nfs/dbraw/zinc/66/03/74/1103660374.db2.gz MFASCCYWSFOJAO-OAHLLOKOSA-N 0 3 317.433 3.103 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)C1CC=CC1 ZINC001327507274 1103665561 /nfs/dbraw/zinc/66/55/61/1103665561.db2.gz JNKRZHMDHPNWHI-FQEVSTJZSA-N 0 3 324.468 3.462 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC ZINC001327509382 1103666800 /nfs/dbraw/zinc/66/68/00/1103666800.db2.gz VIASUFVDUBCFSA-IBGZPJMESA-N 0 3 312.457 3.133 20 30 DGEDHN CCC[C@@H](C)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001490645760 1103675860 /nfs/dbraw/zinc/67/58/60/1103675860.db2.gz XAHBIBKWXUKPFG-MLGOLLRUSA-N 0 3 319.474 3.040 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC001490606503 1103677108 /nfs/dbraw/zinc/67/71/08/1103677108.db2.gz TXBGFZGCTXMDLX-MJGOQNOKSA-N 0 3 324.468 3.174 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001490611547 1103680599 /nfs/dbraw/zinc/68/05/99/1103680599.db2.gz XBZGIJGJJGFXPU-PHWHVTFISA-N 0 3 322.452 3.002 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2cccc(C)c2)CC1 ZINC001490619348 1103682170 /nfs/dbraw/zinc/68/21/70/1103682170.db2.gz ZIWDSUQAPUACQY-UHFFFAOYSA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)COc2ccsc2)CC1 ZINC001490622447 1103683860 /nfs/dbraw/zinc/68/38/60/1103683860.db2.gz UAISNCKOIHTKEG-UHFFFAOYSA-N 0 3 322.474 3.016 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095984027 1103721324 /nfs/dbraw/zinc/72/13/24/1103721324.db2.gz ARRXDCCWZOWIFU-ILXRZTDVSA-N 0 3 324.415 3.110 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001490793016 1103745570 /nfs/dbraw/zinc/74/55/70/1103745570.db2.gz AOAFMBIFNLYBFQ-APIJFGDWSA-N 0 3 312.404 3.062 20 30 DGEDHN CCc1cc(-c2cncc([C@H]3CN4CCC3CC4)n2)ccc1C#N ZINC001244951182 1103777556 /nfs/dbraw/zinc/77/75/56/1103777556.db2.gz BUFBMYKOCHKERY-SFHVURJKSA-N 0 3 318.424 3.387 20 30 DGEDHN CC(C)(O)c1ccc(CNCc2cccc(OCC#N)c2)cc1 ZINC001327998616 1103797878 /nfs/dbraw/zinc/79/78/78/1103797878.db2.gz MLEBPCJWHLSJQO-UHFFFAOYSA-N 0 3 310.397 3.106 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C2(CCC)CCC2)C(C)(C)C1 ZINC001328102509 1103845902 /nfs/dbraw/zinc/84/59/02/1103845902.db2.gz NLBMFWSCNUTRRN-INIZCTEOSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C)nc1C)C2 ZINC001096507572 1103853760 /nfs/dbraw/zinc/85/37/60/1103853760.db2.gz DZTQIETZGCJSCD-ILXRZTDVSA-N 0 3 319.474 3.061 20 30 DGEDHN C#CCCCC(=O)N[C@@H]1CCN(C/C=C/c2ccccc2)[C@H](C)C1 ZINC001328241671 1103888895 /nfs/dbraw/zinc/88/88/95/1103888895.db2.gz USBKDULDZNHJGT-IEYVCLCVSA-N 0 3 324.468 3.472 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC=C)c1ccccc1)C2 ZINC001111436382 1103908351 /nfs/dbraw/zinc/90/83/51/1103908351.db2.gz DOOWWNBWUVLZGB-WCIQWLHISA-N 0 3 322.452 3.091 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCCCCC1)C2 ZINC001110824450 1103909917 /nfs/dbraw/zinc/90/99/17/1103909917.db2.gz JGZSNUCLXYJJSY-QRVBRYPASA-N 0 3 316.489 3.482 20 30 DGEDHN C#CCCCC(=O)NCC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC001328331254 1103914157 /nfs/dbraw/zinc/91/41/57/1103914157.db2.gz GFTCSZXIDICKTN-UONOGXRCSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(C(F)F)c1 ZINC001328440222 1103946027 /nfs/dbraw/zinc/94/60/27/1103946027.db2.gz AIZBWVMJDKKUHE-NSHDSACASA-N 0 3 316.779 3.475 20 30 DGEDHN CCCCCCN1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137119349 1103993255 /nfs/dbraw/zinc/99/32/55/1103993255.db2.gz IFFHWCZBNMVMRV-UHFFFAOYSA-N 0 3 315.461 3.287 20 30 DGEDHN N#Cc1cc2c(cccc2C2=CC[C@@H](N3CCOCC3)CC2)[nH]1 ZINC001245422978 1104042073 /nfs/dbraw/zinc/04/20/73/1104042073.db2.gz FHYAQGHPSNGERP-MRXNPFEDSA-N 0 3 307.397 3.308 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1ccccc1F ZINC001328780826 1104068671 /nfs/dbraw/zinc/06/86/71/1104068671.db2.gz OEFGYBUOOCWZPP-LSDHHAIUSA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCCC(=O)N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001202591156 1104069298 /nfs/dbraw/zinc/06/92/98/1104069298.db2.gz NXCZXLNHNVGDFJ-RBUKOAKNSA-N 0 3 322.452 3.021 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1csc(CC(C)C)n1 ZINC001328799232 1104077200 /nfs/dbraw/zinc/07/72/00/1104077200.db2.gz WKCILLYKMNFMRM-CQSZACIVSA-N 0 3 321.490 3.064 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001202616687 1104083052 /nfs/dbraw/zinc/08/30/52/1104083052.db2.gz IXAXLJCDJAELJV-RYUDHWBXSA-N 0 3 317.260 3.289 20 30 DGEDHN Cc1cccc(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)c1 ZINC001328977423 1104112256 /nfs/dbraw/zinc/11/22/56/1104112256.db2.gz IUENIFJAXLNBNG-ZWKOTPCHSA-N 0 3 320.436 3.143 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001329050222 1104136803 /nfs/dbraw/zinc/13/68/03/1104136803.db2.gz SQFDBRHOUFGXNJ-CHWSQXEVSA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001329050228 1104137155 /nfs/dbraw/zinc/13/71/55/1104137155.db2.gz SQFDBRHOUFGXNJ-STQMWFEESA-N 0 3 309.841 3.074 20 30 DGEDHN C=C(C)CCC(=O)N(C)C1CCC(NCc2conc2C)CC1 ZINC001329231965 1104196150 /nfs/dbraw/zinc/19/61/50/1104196150.db2.gz XZVVFSITKFTQFY-UHFFFAOYSA-N 0 3 319.449 3.199 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNCC(=C)Cl ZINC001329319626 1104219593 /nfs/dbraw/zinc/21/95/93/1104219593.db2.gz CVXQQVZWJBUMDI-UHFFFAOYSA-N 0 3 300.874 3.415 20 30 DGEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C#N)cc1C ZINC001274030245 1104228473 /nfs/dbraw/zinc/22/84/73/1104228473.db2.gz HJOKLXMOOAHERR-FQEVSTJZSA-N 0 3 323.440 3.010 20 30 DGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccsc2C)C1=O ZINC001274073212 1104239886 /nfs/dbraw/zinc/23/98/86/1104239886.db2.gz JMXRBGMGRPLRRE-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccsc1C ZINC001274075199 1104240602 /nfs/dbraw/zinc/24/06/02/1104240602.db2.gz MCCUCUWNYOSYRV-QGZVFWFLSA-N 0 3 304.459 3.200 20 30 DGEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(CCCC)cc2)C1=O ZINC001274198370 1104283783 /nfs/dbraw/zinc/28/37/83/1104283783.db2.gz UUTQVVWKTFIHBX-OAQYLSRUSA-N 0 3 324.468 3.229 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@@H]1CNCc2ccsc21 ZINC001245985535 1104346979 /nfs/dbraw/zinc/34/69/79/1104346979.db2.gz RAYWZEMQSITXNN-JKSUJKDBSA-N 0 3 308.491 3.370 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)s1 ZINC001329628773 1104353873 /nfs/dbraw/zinc/35/38/73/1104353873.db2.gz UHFQPBSUSNEZPC-VIFPVBQESA-N 0 3 306.353 3.003 20 30 DGEDHN COC(=O)c1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC001329818513 1104392709 /nfs/dbraw/zinc/39/27/09/1104392709.db2.gz SWNZWNORXLQRLD-UHFFFAOYSA-N 0 3 320.392 3.187 20 30 DGEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)cccc1F ZINC001274584511 1104411563 /nfs/dbraw/zinc/41/15/63/1104411563.db2.gz VRZNXDWVSRNSKZ-QZTJIDSGSA-N 0 3 316.420 3.276 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001274587887 1104414484 /nfs/dbraw/zinc/41/44/84/1104414484.db2.gz GGKOAUPEQRJJDC-QAPCUYQASA-N 0 3 313.445 3.073 20 30 DGEDHN CC(C)CC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001274587885 1104415695 /nfs/dbraw/zinc/41/56/95/1104415695.db2.gz GGKOAUPEQRJJDC-CRAIPNDOSA-N 0 3 313.445 3.073 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001330020914 1104454000 /nfs/dbraw/zinc/45/40/00/1104454000.db2.gz JJXGZQDSBWOUIE-AWEZNQCLSA-N 0 3 320.864 3.204 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001330037654 1104459485 /nfs/dbraw/zinc/45/94/85/1104459485.db2.gz BPPZAOIVLPPLBM-HOTGVXAUSA-N 0 3 300.446 3.225 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001279171707 1104475880 /nfs/dbraw/zinc/47/58/80/1104475880.db2.gz IWBAMACYCAUCHZ-QWNKOJSDSA-N 0 3 324.468 3.248 20 30 DGEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(C3CCC3)cc2)C1=O ZINC001274808457 1104503355 /nfs/dbraw/zinc/50/33/55/1104503355.db2.gz CDYDQZVYKAPETJ-NRFANRHFSA-N 0 3 322.452 3.154 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001275062844 1104600916 /nfs/dbraw/zinc/60/09/16/1104600916.db2.gz IEIZWSJVDLKYHM-UYAOXDASSA-N 0 3 310.441 3.128 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001330636834 1104601529 /nfs/dbraw/zinc/60/15/29/1104601529.db2.gz OQWJPYCKLCMLHU-HDJSIYSDSA-N 0 3 321.490 3.038 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001330649696 1104604334 /nfs/dbraw/zinc/60/43/34/1104604334.db2.gz BQXBWCYBQCHLBF-SAZUREKKSA-N 0 3 324.896 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001330680451 1104615369 /nfs/dbraw/zinc/61/53/69/1104615369.db2.gz CUGJYYPMYDFMEZ-KKUMJFAQSA-N 0 3 300.874 3.296 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001330717687 1104629305 /nfs/dbraw/zinc/62/93/05/1104629305.db2.gz XSMGGPFQSPKJSK-JOCQHMNTSA-N 0 3 312.885 3.296 20 30 DGEDHN C=CCCCC(=O)N1CCC[C@@H]1CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001275135742 1104643948 /nfs/dbraw/zinc/64/39/48/1104643948.db2.gz NNCPBKCBIPIBAX-SJORKVTESA-N 0 3 322.493 3.081 20 30 DGEDHN COc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1C#N ZINC001330801749 1104648879 /nfs/dbraw/zinc/64/88/79/1104648879.db2.gz BNZKGYVUXZUMHS-UHFFFAOYSA-N 0 3 317.392 3.280 20 30 DGEDHN C=C[C@@H](COC)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001330867742 1104666250 /nfs/dbraw/zinc/66/62/50/1104666250.db2.gz PMDAWUMOIODWMU-RKTXRCNFSA-N 0 3 307.459 3.115 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2ccc(F)c(F)c2)C1 ZINC001275480496 1104771975 /nfs/dbraw/zinc/77/19/75/1104771975.db2.gz IFQKNRVJBXYNQC-QWHCGFSZSA-N 0 3 322.399 3.304 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C1CCC(NCc2cnc(C)o2)CC1 ZINC001275616342 1104833749 /nfs/dbraw/zinc/83/37/49/1104833749.db2.gz AXFNVMYXFAFYOY-UHFFFAOYSA-N 0 3 319.449 3.054 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCOC1CCCCCC1 ZINC001275622024 1104834940 /nfs/dbraw/zinc/83/49/40/1104834940.db2.gz KPKKOLYCPZTCJI-INIZCTEOSA-N 0 3 324.509 3.375 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001280742737 1104898239 /nfs/dbraw/zinc/89/82/39/1104898239.db2.gz BRPOHOSZVXHDCT-INIZCTEOSA-N 0 3 315.461 3.155 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2scnc2C)CC1 ZINC001280756268 1104936644 /nfs/dbraw/zinc/93/66/44/1104936644.db2.gz JFEGWCVDWSTAGA-OAHLLOKOSA-N 0 3 321.490 3.279 20 30 DGEDHN N#Cc1cc(Cl)c(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc1Cl ZINC001247620870 1104939475 /nfs/dbraw/zinc/93/94/75/1104939475.db2.gz IYBHAUPUUSTDRP-KKIHLJRUSA-N 0 3 321.167 3.338 20 30 DGEDHN C=CCCNC(=S)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001247628128 1104941890 /nfs/dbraw/zinc/94/18/90/1104941890.db2.gz PWQADQGYSFVVIG-KRWDZBQOSA-N 0 3 317.502 3.033 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1scnc1C ZINC001275920907 1104957516 /nfs/dbraw/zinc/95/75/16/1104957516.db2.gz ONTIZULWVLIGGE-DYVFJYSZSA-N 0 3 323.506 3.033 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001275922038 1104957647 /nfs/dbraw/zinc/95/76/47/1104957647.db2.gz XTCQLEIQYQVSQZ-KBXCAEBGSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001275922040 1104958395 /nfs/dbraw/zinc/95/83/95/1104958395.db2.gz XTCQLEIQYQVSQZ-KSSFIOAISA-N 0 3 306.425 3.365 20 30 DGEDHN CC(C)(C)c1ccc(-c2noc(C34CC(C3)CN4)n2)c(C#N)c1 ZINC001247897462 1105010085 /nfs/dbraw/zinc/01/00/85/1105010085.db2.gz LDDYZKMYQHCHPX-UHFFFAOYSA-N 0 3 308.385 3.114 20 30 DGEDHN N#Cc1c(F)cc(CN2CC3(CCN3C3CCCC3)C2)cc1F ZINC001276118235 1105019527 /nfs/dbraw/zinc/01/95/27/1105019527.db2.gz SNLGUCLMPFZUTN-UHFFFAOYSA-N 0 3 317.383 3.039 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C)cc1C)C2 ZINC001095474977 1105026780 /nfs/dbraw/zinc/02/67/80/1105026780.db2.gz LCTXFVHFEMIEJW-ILXRZTDVSA-N 0 3 304.459 3.276 20 30 DGEDHN C=C(Br)CNCC1(NC(=O)CCC)CCCCC1 ZINC001276176518 1105037899 /nfs/dbraw/zinc/03/78/99/1105037899.db2.gz QCBNXBQCSANHKO-UHFFFAOYSA-N 0 3 317.271 3.104 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001276290452 1105079369 /nfs/dbraw/zinc/07/93/69/1105079369.db2.gz QXGJXVVGZYEDPW-GOSISDBHSA-N 0 3 302.462 3.261 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001110967171 1105128302 /nfs/dbraw/zinc/12/83/02/1105128302.db2.gz WCONYJHKAOXSJJ-KFWWJZLASA-N 0 3 312.404 3.110 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCc1ccccc1)C2 ZINC001110972819 1105130474 /nfs/dbraw/zinc/13/04/74/1105130474.db2.gz CQJJHEUPICROKZ-AQNXPRMDSA-N 0 3 324.468 3.144 20 30 DGEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3ccc4n3CCC4)C2)c1 ZINC001248824536 1105171854 /nfs/dbraw/zinc/17/18/54/1105171854.db2.gz RKHZYKMIOHAZNI-FQEVSTJZSA-N 0 3 321.424 3.349 20 30 DGEDHN Cn1cc(CN2CCC(CC#N)CC2)c2c1ccnc2Cl ZINC001248837878 1105176093 /nfs/dbraw/zinc/17/60/93/1105176093.db2.gz WCJCHLCZHRDXCL-UHFFFAOYSA-N 0 3 302.809 3.352 20 30 DGEDHN CCCCCCCc1ccc(-c2noc([C@H](N)CN)n2)cc1 ZINC001249127803 1105229505 /nfs/dbraw/zinc/22/95/05/1105229505.db2.gz ZXPRXLOPRAZTQX-OAHLLOKOSA-N 0 3 302.422 3.208 20 30 DGEDHN N#Cc1ccc2cc(CN3CCc4cccc(O)c4C3)[nH]c2c1 ZINC001249430424 1105286497 /nfs/dbraw/zinc/28/64/97/1105286497.db2.gz RCZVMLCWCLXJFX-UHFFFAOYSA-N 0 3 303.365 3.303 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(F)cc2)[C@@H]1C ZINC001278516472 1105291029 /nfs/dbraw/zinc/29/10/29/1105291029.db2.gz SQQBEJZIFIUJHT-YJBOKZPZSA-N 0 3 318.436 3.304 20 30 DGEDHN N#Cc1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)c(Cl)c1 ZINC001249554264 1105311276 /nfs/dbraw/zinc/31/12/76/1105311276.db2.gz AKJGGCAUIHLELQ-OAHLLOKOSA-N 0 3 317.820 3.392 20 30 DGEDHN N#Cc1c(Cl)cccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249560701 1105316576 /nfs/dbraw/zinc/31/65/76/1105316576.db2.gz YJCVKOSRWIYSIR-CQSZACIVSA-N 0 3 317.820 3.392 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001097125053 1105351404 /nfs/dbraw/zinc/35/14/04/1105351404.db2.gz PBHNBNGUWKNRPN-MLHJIOFPSA-N 0 3 302.462 3.421 20 30 DGEDHN CC(C)=CCN1CCC[C@H](NC(=O)CC#Cc2ccccc2)[C@@H]1C ZINC001278533058 1105371158 /nfs/dbraw/zinc/37/11/58/1105371158.db2.gz MOVNBZNQPDQWEV-ICSRJNTNSA-N 0 3 324.468 3.364 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CCC3)CCC1)C2 ZINC001097589170 1105410671 /nfs/dbraw/zinc/41/06/71/1105410671.db2.gz SDZYAPHKSZNFML-ZACQAIPSSA-N 0 3 302.462 3.254 20 30 DGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)cs1)C2 ZINC001097633735 1105417685 /nfs/dbraw/zinc/41/76/85/1105417685.db2.gz VONPLZMLYDLBQR-YUELXQCFSA-N 0 3 320.458 3.058 20 30 DGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cc(F)cc1F)C2 ZINC001097761884 1105439533 /nfs/dbraw/zinc/43/95/33/1105439533.db2.gz WOFPNOVAHVWJSA-DFBGVHRSSA-N 0 3 324.346 3.015 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1[nH]c(C)cc1C)C2 ZINC001137324099 1105486179 /nfs/dbraw/zinc/48/61/79/1105486179.db2.gz KRBBAEIWUGFJLY-LJQANCHMSA-N 0 3 315.461 3.165 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNCc2oc(C)nc2C)C1 ZINC001278563550 1105505339 /nfs/dbraw/zinc/50/53/39/1105505339.db2.gz AJEYRCJSGAOEJH-JKSUJKDBSA-N 0 3 319.449 3.022 20 30 DGEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C=CCC3)C2 ZINC001098024557 1105508181 /nfs/dbraw/zinc/50/81/81/1105508181.db2.gz PWINDZXWVSXCBU-AQNXPRMDSA-N 0 3 320.436 3.004 20 30 DGEDHN CN1CCN(C2(c3ccc(-c4ccccc4C#N)cc3)CC2)CC1 ZINC001250581229 1105540798 /nfs/dbraw/zinc/54/07/98/1105540798.db2.gz UVFJGLIOORHWMP-UHFFFAOYSA-N 0 3 317.436 3.462 20 30 DGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccc(F)c1)C2 ZINC001098438692 1105575514 /nfs/dbraw/zinc/57/55/14/1105575514.db2.gz ZPRUJNSONBQKGJ-PILAGYSTSA-N 0 3 316.420 3.227 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001098903271 1105612532 /nfs/dbraw/zinc/61/25/32/1105612532.db2.gz JMKYFCNJAXPOBY-CUWPLCDZSA-N 0 3 324.468 3.263 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)ccc2CC)C1 ZINC001098921154 1105613960 /nfs/dbraw/zinc/61/39/60/1105613960.db2.gz VCEYLRSMDVUBBX-KXBFYZLASA-N 0 3 316.420 3.158 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(C(F)F)c2)C1 ZINC001098998937 1105623902 /nfs/dbraw/zinc/62/39/02/1105623902.db2.gz INRSXTMXHTUDPV-GUYCJALGSA-N 0 3 324.371 3.378 20 30 DGEDHN C=CCN(C)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251091612 1105628872 /nfs/dbraw/zinc/62/88/72/1105628872.db2.gz SQQAHNXSYJDWGH-AWEZNQCLSA-N 0 3 310.397 3.179 20 30 DGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001099126415 1105646031 /nfs/dbraw/zinc/64/60/31/1105646031.db2.gz PCWINYYYQULYJH-KPFFTGBYSA-N 0 3 312.457 3.255 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)COC1CCCCC1 ZINC001099130640 1105646925 /nfs/dbraw/zinc/64/69/25/1105646925.db2.gz QEBLLYGBLQDXOB-MRXNPFEDSA-N 0 3 322.493 3.129 20 30 DGEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)cc2F)C1 ZINC001099143632 1105648816 /nfs/dbraw/zinc/64/88/16/1105648816.db2.gz MMXKYJBGDODYLM-UGSOOPFHSA-N 0 3 320.383 3.125 20 30 DGEDHN C=CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC=C ZINC001099203367 1105657595 /nfs/dbraw/zinc/65/75/95/1105657595.db2.gz LVAMTCOXFWJZNX-KRWDZBQOSA-N 0 3 322.493 3.152 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)c1ccco1 ZINC001099228948 1105659021 /nfs/dbraw/zinc/65/90/21/1105659021.db2.gz DVNGTUFJZAKUAB-HZPDHXFCSA-N 0 3 316.445 3.013 20 30 DGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001099229334 1105659417 /nfs/dbraw/zinc/65/94/17/1105659417.db2.gz JEVWIIOMSKMVRH-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257372 1105662332 /nfs/dbraw/zinc/66/23/32/1105662332.db2.gz DXWZZDHVNWPYMM-DLBZAZTESA-N 0 3 324.509 3.088 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001099264574 1105662875 /nfs/dbraw/zinc/66/28/75/1105662875.db2.gz VKVRJPUMEZBSSR-CVEARBPZSA-N 0 3 318.461 3.251 20 30 DGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCCOC ZINC001099299288 1105665649 /nfs/dbraw/zinc/66/56/49/1105665649.db2.gz SACNMXKOYJXJKD-IAGOWNOFSA-N 0 3 324.509 3.232 20 30 DGEDHN C=C(C)CN[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1C(F)(F)F ZINC001099294823 1105665855 /nfs/dbraw/zinc/66/58/55/1105665855.db2.gz UBSJERNHEBRJDT-CHWSQXEVSA-N 0 3 318.383 3.122 20 30 DGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCCCOCC ZINC001099359030 1105673371 /nfs/dbraw/zinc/67/33/71/1105673371.db2.gz LXRIWQWIYIXANI-KRWDZBQOSA-N 0 3 324.509 3.376 20 30 DGEDHN CCCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001490992197 1105733320 /nfs/dbraw/zinc/73/33/20/1105733320.db2.gz HTKFFVRDNGKXRJ-IYBDPMFKSA-N 0 3 317.408 3.014 20 30 DGEDHN CC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491053444 1105742940 /nfs/dbraw/zinc/74/29/40/1105742940.db2.gz VHDKNBWJSBRINN-ZRNYENFQSA-N 0 3 324.468 3.101 20 30 DGEDHN CCCCCCCC[C@H](O)CN1CCC(F)(F)[C@H](CO)C1 ZINC001252124287 1105745488 /nfs/dbraw/zinc/74/54/88/1105745488.db2.gz QKLAGYGIDNMTAA-GJZGRUSLSA-N 0 3 307.425 3.047 20 30 DGEDHN CCCCCCCC[C@H](O)CNCc1ccc(C(=O)OC)nc1 ZINC001252140561 1105750094 /nfs/dbraw/zinc/75/00/94/1105750094.db2.gz BNDCNTJHFAHKKM-INIZCTEOSA-N 0 3 322.449 3.069 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNCc2csc(C)n2)C1 ZINC001491151826 1105763341 /nfs/dbraw/zinc/76/33/41/1105763341.db2.gz JEVBUNRKQWLORZ-HNNXBMFYSA-N 0 3 321.490 3.136 20 30 DGEDHN N#C[C@@H]1CCCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252383949 1105775544 /nfs/dbraw/zinc/77/55/44/1105775544.db2.gz ZBTDJWJMNBUBAG-SJLPKXTDSA-N 0 3 324.424 3.205 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001491209361 1105776729 /nfs/dbraw/zinc/77/67/29/1105776729.db2.gz CHTCGJNFVXCYNY-UONOGXRCSA-N 0 3 302.409 3.215 20 30 DGEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001491238002 1105784736 /nfs/dbraw/zinc/78/47/36/1105784736.db2.gz XTNBWKPYGHQWGM-CQSZACIVSA-N 0 3 321.490 3.256 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CCC ZINC001491278763 1105793531 /nfs/dbraw/zinc/79/35/31/1105793531.db2.gz ANMIRAQESAEKHS-SJORKVTESA-N 0 3 304.478 3.291 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001278673014 1105797056 /nfs/dbraw/zinc/79/70/56/1105797056.db2.gz ODTRWFQJWBBXDB-QGZVFWFLSA-N 0 3 324.827 3.497 20 30 DGEDHN C=C[C@@](C)(O)CN[C@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001252583190 1105797746 /nfs/dbraw/zinc/79/77/46/1105797746.db2.gz FTBJQJNHIUTLEQ-GXTWGEPZSA-N 0 3 300.324 3.078 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001491292957 1105800695 /nfs/dbraw/zinc/80/06/95/1105800695.db2.gz OVZWDAZGZHWURB-DOTOQJQBSA-N 0 3 315.461 3.011 20 30 DGEDHN C=CCC[C@@H](O)CN1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001252601966 1105801105 /nfs/dbraw/zinc/80/11/05/1105801105.db2.gz HRJRKUWXJFMTKY-CQSZACIVSA-N 0 3 315.335 3.270 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC001252621797 1105806707 /nfs/dbraw/zinc/80/67/07/1105806707.db2.gz INURJYBRCXTGQZ-OCCSQVGLSA-N 0 3 315.335 3.446 20 30 DGEDHN C=C(C)CCC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001491355185 1105811450 /nfs/dbraw/zinc/81/14/50/1105811450.db2.gz SKNBATKZCFHINM-UHFFFAOYSA-N 0 3 307.463 3.016 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)CCCCC(C)C)C1 ZINC001100767180 1105845245 /nfs/dbraw/zinc/84/52/45/1105845245.db2.gz SSTNUYBEXQVTLP-UHFFFAOYSA-N 0 3 300.874 3.440 20 30 DGEDHN CCCC[C@H](CC)COC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC001253006311 1105874471 /nfs/dbraw/zinc/87/44/71/1105874471.db2.gz IULPFAATMQEJQE-OKZBNKHCSA-N 0 3 310.482 3.206 20 30 DGEDHN CCCC[C@@H](CC)COC[C@H](O)CNCc1ccc(C#N)s1 ZINC001253026071 1105878880 /nfs/dbraw/zinc/87/88/80/1105878880.db2.gz PMVKOYVVMNWTAP-HUUCEWRRSA-N 0 3 324.490 3.303 20 30 DGEDHN C=CCCCCCC[C@@H](O)CNCc1cn2ccccc2n1 ZINC001253246886 1105910411 /nfs/dbraw/zinc/91/04/11/1105910411.db2.gz DESMKFQBVWGDIO-QGZVFWFLSA-N 0 3 301.434 3.311 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC001253246360 1105910683 /nfs/dbraw/zinc/91/06/83/1105910683.db2.gz NYGNRNTVOMGVMC-ZWKOTPCHSA-N 0 3 309.425 3.336 20 30 DGEDHN C=CCCCCCC[C@H](O)CN[C@H](CO)c1cccc(OC)c1 ZINC001253252234 1105911910 /nfs/dbraw/zinc/91/19/10/1105911910.db2.gz SSWOJNAUNGNWAJ-PKOBYXMFSA-N 0 3 321.461 3.206 20 30 DGEDHN C=CCCCCCC[C@@H](O)CN[C@@H]1CCCc2nccnc21 ZINC001253255222 1105913104 /nfs/dbraw/zinc/91/31/04/1105913104.db2.gz HBIYXFOAMQMYNS-NVXWUHKLSA-N 0 3 303.450 3.331 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@](C)(CC)CCC)C[C@]2(C)C1 ZINC001101407319 1105917902 /nfs/dbraw/zinc/91/79/02/1105917902.db2.gz XFAXVVCZJMNVQP-NEWSRXKRSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](CC)C(C)(C)C)C[C@]2(C)C1 ZINC001101428919 1105918171 /nfs/dbraw/zinc/91/81/71/1105918171.db2.gz SISGNSUGSJDNLD-QKLQHJQFSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCOc1ccccc1[C@H](C)NC[C@@H](O)COC(C)(C)C ZINC001253475639 1105944465 /nfs/dbraw/zinc/94/44/65/1105944465.db2.gz CUPJYGKCMGIZGL-LSDHHAIUSA-N 0 3 307.434 3.078 20 30 DGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC001253912816 1105999381 /nfs/dbraw/zinc/99/93/81/1105999381.db2.gz NUAAHZOZCVLFJP-GFCCVEGCSA-N 0 3 322.811 3.002 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001102833870 1106109358 /nfs/dbraw/zinc/10/93/58/1106109358.db2.gz ZUVAZXVCXYGKDH-MNLARUNXSA-N 0 3 324.896 3.249 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2oc(C)cc2C)C1 ZINC001102834569 1106109425 /nfs/dbraw/zinc/10/94/25/1106109425.db2.gz UYLNDQOPHMCPBX-IUODEOHRSA-N 0 3 324.852 3.337 20 30 DGEDHN N#C[C@H]1CC[C@@H](N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001254673459 1106131086 /nfs/dbraw/zinc/13/10/86/1106131086.db2.gz LEMUHUMIZQIMBU-WCQYABFASA-N 0 3 313.228 3.480 20 30 DGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](N3Cc4ccccc4NC3=O)C2)C1 ZINC001254676787 1106131590 /nfs/dbraw/zinc/13/15/90/1106131590.db2.gz OCJDITAWEXKTMO-PVAVHDDUSA-N 0 3 324.428 3.191 20 30 DGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001103141325 1106163903 /nfs/dbraw/zinc/16/39/03/1106163903.db2.gz AZIQHTJGSZEVAQ-BMFZPTHFSA-N 0 3 324.896 3.393 20 30 DGEDHN C=C/C(C)=C/CC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103326649 1106203968 /nfs/dbraw/zinc/20/39/68/1106203968.db2.gz DCFVULHUKKNAFM-QIRDZLTKSA-N 0 3 310.869 3.336 20 30 DGEDHN C=CCN1C(=O)CCC[C@]12CCCN([C@H](C)CC(F)(F)F)C2 ZINC001255652298 1106285329 /nfs/dbraw/zinc/28/53/29/1106285329.db2.gz NLLRWGPKBAYZIW-UKRRQHHQSA-N 0 3 318.383 3.360 20 30 DGEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256112888 1106370173 /nfs/dbraw/zinc/37/01/73/1106370173.db2.gz GOLFVZVCWTVOSY-HJWJTTGWSA-N 0 3 304.434 3.223 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCO[C@@H](CCC)C1)C(C)C ZINC001278926309 1106400041 /nfs/dbraw/zinc/40/00/41/1106400041.db2.gz GYTQBOVKVGCDSK-ROUUACIJSA-N 0 3 324.509 3.327 20 30 DGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H](C)CCC(C)C ZINC001256367417 1106411184 /nfs/dbraw/zinc/41/11/84/1106411184.db2.gz DZQHAEBWMPGZSM-RDJZCZTQSA-N 0 3 305.466 3.347 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1c(C)onc1CC)C(C)(C)C ZINC001278945615 1106442345 /nfs/dbraw/zinc/44/23/45/1106442345.db2.gz MGHNMUOIPQZEQK-INIZCTEOSA-N 0 3 321.465 3.132 20 30 DGEDHN C=CCN[C@H](CNC(=O)C1CCCC1)c1ccccc1CC ZINC001278964731 1106483071 /nfs/dbraw/zinc/48/30/71/1106483071.db2.gz YLUJMPZPMOIADP-GOSISDBHSA-N 0 3 300.446 3.372 20 30 DGEDHN N=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001256791108 1106483849 /nfs/dbraw/zinc/48/38/49/1106483849.db2.gz XBVYBHPZJTYPFU-GDBMZVCRSA-N 0 3 315.804 3.361 20 30 DGEDHN CCOc1ccccc1N1CCN(C2CCC(C#N)CC2)CC1 ZINC001256964926 1106516936 /nfs/dbraw/zinc/51/69/36/1106516936.db2.gz HXEIPXPDHXKQBT-UHFFFAOYSA-N 0 3 313.445 3.290 20 30 DGEDHN CC[C@H]1C[C@@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257115983 1106541045 /nfs/dbraw/zinc/54/10/45/1106541045.db2.gz HAKTYBRTQMMBQK-KBPBESRZSA-N 0 3 307.438 3.058 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257177460 1106548703 /nfs/dbraw/zinc/54/87/03/1106548703.db2.gz BQXQDBOTBRUJCO-KKUMJFAQSA-N 0 3 309.454 3.302 20 30 DGEDHN N#Cc1ccccc1CNC1CCN(c2cccc(F)c2)CC1 ZINC001258412204 1106735662 /nfs/dbraw/zinc/73/56/62/1106735662.db2.gz BAWVSVGPOKKDBD-UHFFFAOYSA-N 0 3 309.388 3.456 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1coc2c1cccc2OC ZINC001320000355 1106776698 /nfs/dbraw/zinc/77/66/98/1106776698.db2.gz RVGAWJQKYSWNQG-UHFFFAOYSA-N 0 3 316.401 3.021 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001320032397 1106799236 /nfs/dbraw/zinc/79/92/36/1106799236.db2.gz CVJYLBNZDQHGJS-UHFFFAOYSA-N 0 3 319.836 3.401 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CCC2)CC1(C)C ZINC001258547524 1106817479 /nfs/dbraw/zinc/81/74/79/1106817479.db2.gz QBFTXJQSIKSEAI-AWEZNQCLSA-N 0 3 321.465 3.448 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001320084177 1106855138 /nfs/dbraw/zinc/85/51/38/1106855138.db2.gz FHXVIWZFIVADHA-SFHVURJKSA-N 0 3 314.473 3.463 20 30 DGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCCOCC)C2)CCCCC1 ZINC001316996281 1106878373 /nfs/dbraw/zinc/87/83/73/1106878373.db2.gz WWMACWFJKXWKFL-KRWDZBQOSA-N 0 3 322.493 3.130 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCCOCC2)CC1 ZINC001317003835 1106886322 /nfs/dbraw/zinc/88/63/22/1106886322.db2.gz BTHOJZVBEWPBEM-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCCCCCC)CC1 ZINC001317005677 1106888951 /nfs/dbraw/zinc/88/89/51/1106888951.db2.gz HXICBLQHJRFEDE-KRWDZBQOSA-N 0 3 304.478 3.341 20 30 DGEDHN CC(C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1)=C1CCC1 ZINC001317014011 1106900057 /nfs/dbraw/zinc/90/00/57/1106900057.db2.gz RADIDKHXIYNHGP-HXUWFJFHSA-N 0 3 322.452 3.023 20 30 DGEDHN C=CCC[C@H](C)N1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001258727316 1106932487 /nfs/dbraw/zinc/93/24/87/1106932487.db2.gz GOCUMIUCBGFXID-PKOBYXMFSA-N 0 3 315.461 3.108 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CC ZINC001317048010 1106950235 /nfs/dbraw/zinc/95/02/35/1106950235.db2.gz BOUHZCAVSPOWGG-FJIDUMEYSA-N 0 3 304.478 3.454 20 30 DGEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001317061853 1106959413 /nfs/dbraw/zinc/95/94/13/1106959413.db2.gz MNFQPVZDHLTUBP-SFHVURJKSA-N 0 3 316.420 3.100 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccccc1Cl ZINC001317180571 1107100854 /nfs/dbraw/zinc/10/08/54/1107100854.db2.gz LHWJYAQGARLKIG-MRXNPFEDSA-N 0 3 320.864 3.429 20 30 DGEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)CCC1CCC1 ZINC001320705908 1107112175 /nfs/dbraw/zinc/11/21/75/1107112175.db2.gz VQWWZSCEICXOTD-UHFFFAOYSA-N 0 3 313.445 3.077 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1cc(C)ccc1OC ZINC001317238938 1107163694 /nfs/dbraw/zinc/16/36/94/1107163694.db2.gz ALVLXFZKYNHINX-HNNXBMFYSA-N 0 3 318.461 3.200 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cc(F)cc(F)c2)CCC1 ZINC001317267776 1107190236 /nfs/dbraw/zinc/19/02/36/1107190236.db2.gz VNWJGDDDYXWOHI-CYBMUJFWSA-N 0 3 322.399 3.306 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001492490414 1107204243 /nfs/dbraw/zinc/20/42/43/1107204243.db2.gz MIKVXIMCSJYVBL-NSHDSACASA-N 0 3 300.855 3.129 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001317304830 1107223979 /nfs/dbraw/zinc/22/39/79/1107223979.db2.gz MPVXADOPATYUTN-WBVHZDCISA-N 0 3 318.436 3.427 20 30 DGEDHN C=CCCC(=O)N1CCC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001317368557 1107272361 /nfs/dbraw/zinc/27/23/61/1107272361.db2.gz ADFAPMGIFRUMLN-MRXNPFEDSA-N 0 3 306.475 3.446 20 30 DGEDHN CN(Cc1ccsc1)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001317372821 1107275136 /nfs/dbraw/zinc/27/51/36/1107275136.db2.gz FOAUXKIKNPKYST-INIZCTEOSA-N 0 3 318.486 3.220 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001321184553 1107277412 /nfs/dbraw/zinc/27/74/12/1107277412.db2.gz GVDQVHOOHWVFEG-AATRIKPKSA-N 0 3 304.409 3.190 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001321184098 1107277653 /nfs/dbraw/zinc/27/76/53/1107277653.db2.gz FPVLBKKZEXWRHO-FPLPWBNLSA-N 0 3 315.461 3.063 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001317381955 1107290029 /nfs/dbraw/zinc/29/00/29/1107290029.db2.gz POIMKYANLLMOOP-QGZVFWFLSA-N 0 3 304.478 3.149 20 30 DGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001317381952 1107290971 /nfs/dbraw/zinc/29/09/71/1107290971.db2.gz POIMKYANLLMOOP-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC001317381465 1107291036 /nfs/dbraw/zinc/29/10/36/1107291036.db2.gz OEISXRBWGNXKIT-HNNXBMFYSA-N 0 3 316.470 3.185 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001317383612 1107291751 /nfs/dbraw/zinc/29/17/51/1107291751.db2.gz NLYFTCZWDUHXQI-IRXDYDNUSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCC(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001317417556 1107342169 /nfs/dbraw/zinc/34/21/69/1107342169.db2.gz AFWSVXPZMURFGM-FQEVSTJZSA-N 0 3 324.468 3.365 20 30 DGEDHN C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1Cc1ccns1 ZINC001317427669 1107354933 /nfs/dbraw/zinc/35/49/33/1107354933.db2.gz QQZZCZAYRDLSBU-AWEZNQCLSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN(CC)CCNC(=O)c1coc2cc(C)c(C)cc21 ZINC001317482647 1107436109 /nfs/dbraw/zinc/43/61/09/1107436109.db2.gz YITJXSBNYRQVHD-UHFFFAOYSA-N 0 3 300.402 3.287 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001321950173 1107470287 /nfs/dbraw/zinc/47/02/87/1107470287.db2.gz TYLWZJLQLJHYEB-JTQLQIEISA-N 0 3 300.855 3.208 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001321965169 1107473670 /nfs/dbraw/zinc/47/36/70/1107473670.db2.gz BCGLDORJIOBXAM-NSHDSACASA-N 0 3 300.855 3.352 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@]1(C)CCc2ccccc21 ZINC001317513555 1107476831 /nfs/dbraw/zinc/47/68/31/1107476831.db2.gz MEAAYHQTDIRINI-FXAWDEMLSA-N 0 3 312.457 3.047 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001317530101 1107492992 /nfs/dbraw/zinc/49/29/92/1107492992.db2.gz TVGKMIZPOUCKLV-ZWKOTPCHSA-N 0 3 304.478 3.054 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001317538683 1107501269 /nfs/dbraw/zinc/50/12/69/1107501269.db2.gz YORDFSNGBDXQLS-WETRKIQUSA-N 0 3 323.440 3.019 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001317538680 1107501366 /nfs/dbraw/zinc/50/13/66/1107501366.db2.gz YORDFSNGBDXQLS-CWWGLNLWSA-N 0 3 323.440 3.019 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1cc2ccccc2nc1C ZINC001317540766 1107502944 /nfs/dbraw/zinc/50/29/44/1107502944.db2.gz OPJAHHSFOJIXMM-UHFFFAOYSA-N 0 3 323.440 3.008 20 30 DGEDHN C=CCN(CCNC(=O)c1cc2c(ccc(C)c2C)[nH]1)C1CC1 ZINC001317555145 1107531985 /nfs/dbraw/zinc/53/19/85/1107531985.db2.gz QKRXVZDJHYHAJH-UHFFFAOYSA-N 0 3 311.429 3.165 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(-c2ccccc2)o1)C1CC1 ZINC001317559077 1107538505 /nfs/dbraw/zinc/53/85/05/1107538505.db2.gz QLYKNMCPQFVPSL-UHFFFAOYSA-N 0 3 310.397 3.327 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cccc(Cl)c1F)C1CC1 ZINC001317558882 1107539371 /nfs/dbraw/zinc/53/93/71/1107539371.db2.gz MYZGKQLXRFPOLO-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)COC2 ZINC001322169057 1107552497 /nfs/dbraw/zinc/55/24/97/1107552497.db2.gz NEWRJXMLDVBGMO-OAHLLOKOSA-N 0 3 316.445 3.010 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1coc2cc(C)c(C)cc21 ZINC001322207547 1107569645 /nfs/dbraw/zinc/56/96/45/1107569645.db2.gz AMNOVKYWSFGXMT-CQSZACIVSA-N 0 3 300.402 3.286 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001322219541 1107575027 /nfs/dbraw/zinc/57/50/27/1107575027.db2.gz XBMXXAPRMKKEFY-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001322223207 1107577382 /nfs/dbraw/zinc/57/73/82/1107577382.db2.gz KEPMHPALGSJVLY-HUUCEWRRSA-N 0 3 306.425 3.365 20 30 DGEDHN CCC[C@H](CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001322268533 1107601933 /nfs/dbraw/zinc/60/19/33/1107601933.db2.gz DICQQICONUUUJR-YJBOKZPZSA-N 0 3 315.461 3.321 20 30 DGEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)CCCF ZINC001317697849 1107609526 /nfs/dbraw/zinc/60/95/26/1107609526.db2.gz GGHXMLMYWJDDET-UHFFFAOYSA-N 0 3 318.436 3.005 20 30 DGEDHN C=C1CC(C)(C(=O)NCCCN(Cc2conc2C)C(C)C)C1 ZINC001317698352 1107609631 /nfs/dbraw/zinc/60/96/31/1107609631.db2.gz AFJSVQDNJPPABU-UHFFFAOYSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C(C)=C1CCCC1)c1ccccc1 ZINC001317714794 1107618787 /nfs/dbraw/zinc/61/87/87/1107618787.db2.gz ISGYZPGQVNRQHN-IBGZPJMESA-N 0 3 310.441 3.347 20 30 DGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1 ZINC001317726755 1107624750 /nfs/dbraw/zinc/62/47/50/1107624750.db2.gz BUSIXLRBWRQLEB-APWZRJJASA-N 0 3 324.424 3.087 20 30 DGEDHN C=CCCCN1CC[C@@H](N(CCC)C(=O)c2scnc2C)C1 ZINC001317754988 1107641752 /nfs/dbraw/zinc/64/17/52/1107641752.db2.gz VZJURYKRZYDWOU-OAHLLOKOSA-N 0 3 321.490 3.344 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccc(F)c2C)C1 ZINC001317759649 1107646486 /nfs/dbraw/zinc/64/64/86/1107646486.db2.gz SFTJTQQDGNEBQL-INIZCTEOSA-N 0 3 316.420 3.084 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCC2CCOCC2)C1 ZINC001317766593 1107650285 /nfs/dbraw/zinc/65/02/85/1107650285.db2.gz FSHGSUJLDQLDHT-GOSISDBHSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCc2cccs2)C1 ZINC001317769813 1107654339 /nfs/dbraw/zinc/65/43/39/1107654339.db2.gz LCQHFBPYMDGOFZ-INIZCTEOSA-N 0 3 318.486 3.017 20 30 DGEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001317931618 1107752383 /nfs/dbraw/zinc/75/23/83/1107752383.db2.gz WFLGYRCQACLMON-QWHCGFSZSA-N 0 3 310.438 3.436 20 30 DGEDHN Cc1ccc(C(=O)N(C)CCCNCc2ccccc2C#N)cc1 ZINC001322804325 1107758407 /nfs/dbraw/zinc/75/84/07/1107758407.db2.gz APBVKYBBRJLOPN-UHFFFAOYSA-N 0 3 321.424 3.119 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2csc(C)n2)[C@H](CC)C1 ZINC001323132005 1107847944 /nfs/dbraw/zinc/84/79/44/1107847944.db2.gz WCPUDBVMZCIKIB-ZBFHGGJFSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001323246499 1107901531 /nfs/dbraw/zinc/90/15/31/1107901531.db2.gz NSYKMAPMCWYPDC-TZMCWYRMSA-N 0 3 308.372 3.124 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001323246522 1107902442 /nfs/dbraw/zinc/90/24/42/1107902442.db2.gz NXIUCSXRMVSQJQ-AWEZNQCLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccccc2C1 ZINC001318215706 1107902504 /nfs/dbraw/zinc/90/25/04/1107902504.db2.gz SAAQHULTYUUXQW-UFYCRDLUSA-N 0 3 324.468 3.043 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001323276161 1107912991 /nfs/dbraw/zinc/91/29/91/1107912991.db2.gz DUJWPAIQXXSDRE-GOEBONIOSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001323292788 1107920102 /nfs/dbraw/zinc/92/01/02/1107920102.db2.gz IKKGEWVPUCVJBI-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001323311038 1107930123 /nfs/dbraw/zinc/93/01/23/1107930123.db2.gz SOKZXZXAUJFPBP-CYBMUJFWSA-N 0 3 308.372 3.044 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001323334001 1107940036 /nfs/dbraw/zinc/94/00/36/1107940036.db2.gz GUVNHEDVSSKXGF-LSDHHAIUSA-N 0 3 304.434 3.391 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1sc(C)cc1C ZINC001323339440 1107943303 /nfs/dbraw/zinc/94/33/03/1107943303.db2.gz GILWZNFGDAFHKX-HNNXBMFYSA-N 0 3 306.475 3.064 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001323342089 1107945161 /nfs/dbraw/zinc/94/51/61/1107945161.db2.gz XWWSHDPVPXRUNP-HNNXBMFYSA-N 0 3 308.372 3.395 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001323341475 1107946067 /nfs/dbraw/zinc/94/60/67/1107946067.db2.gz VHXLANAREGHALZ-ZBFHGGJFSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1cccc2ccccc21 ZINC001323340636 1107946091 /nfs/dbraw/zinc/94/60/91/1107946091.db2.gz PLIIDCFZEUYNFH-SFHVURJKSA-N 0 3 308.425 3.149 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001318357633 1107958445 /nfs/dbraw/zinc/95/84/45/1107958445.db2.gz AKVYMFSGJJVXJO-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001318377002 1107969360 /nfs/dbraw/zinc/96/93/60/1107969360.db2.gz XXPRZAKCBQDIGG-OAHLLOKOSA-N 0 3 306.475 3.146 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001263294744 1108003977 /nfs/dbraw/zinc/00/39/77/1108003977.db2.gz GOUDWTCHOYPXNR-IIAWOOMASA-N 0 3 316.376 3.425 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)cc1 ZINC001263307801 1108011611 /nfs/dbraw/zinc/01/16/11/1108011611.db2.gz LLBYXHMAURGWNB-BBRMVZONSA-N 0 3 312.369 3.089 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001318474220 1108035826 /nfs/dbraw/zinc/03/58/26/1108035826.db2.gz SVHPWLFSNKHMCN-LSDHHAIUSA-N 0 3 314.420 3.311 20 30 DGEDHN CC(=O)Nc1ccc([C@@H](C)NCc2cccc(OCC#N)c2)cc1 ZINC001323647378 1108041350 /nfs/dbraw/zinc/04/13/50/1108041350.db2.gz SCUDMHMFEJBPEO-CQSZACIVSA-N 0 3 323.396 3.398 20 30 DGEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC(C)(C)C ZINC001323762012 1108077317 /nfs/dbraw/zinc/07/73/17/1108077317.db2.gz FYQYJQGCNMGBBY-HRCADAONSA-N 0 3 305.466 3.038 20 30 DGEDHN C#CCN1CCC2(CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001323834845 1108097309 /nfs/dbraw/zinc/09/73/09/1108097309.db2.gz DYWDIYCQIWEBCI-IAGOWNOFSA-N 0 3 318.505 3.252 20 30 DGEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2cnc(C)s2)CCC1 ZINC001318569224 1108101242 /nfs/dbraw/zinc/10/12/42/1108101242.db2.gz GQUUKJSLSYCBOP-CQSZACIVSA-N 0 3 321.490 3.182 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001323872220 1108109450 /nfs/dbraw/zinc/10/94/50/1108109450.db2.gz IQORLPBUEKJDLW-VQIMIIECSA-N 0 3 304.478 3.006 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001263616941 1108112590 /nfs/dbraw/zinc/11/25/90/1108112590.db2.gz OFOYAJHDSDCFKC-FRRDWIJNSA-N 0 3 315.323 3.161 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccccc1C)C1CC1 ZINC001318674097 1108148073 /nfs/dbraw/zinc/14/80/73/1108148073.db2.gz DPALIQSOVRBONT-QGZVFWFLSA-N 0 3 306.837 3.236 20 30 DGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC001324022675 1108149785 /nfs/dbraw/zinc/14/97/85/1108149785.db2.gz RRHCQVUPEQPNEU-UKRRQHHQSA-N 0 3 305.422 3.068 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccncc2Cl)C[C@H]1C ZINC001324045970 1108157783 /nfs/dbraw/zinc/15/77/83/1108157783.db2.gz AROMDAAFJOTTKU-HIFRSBDPSA-N 0 3 321.852 3.170 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C)cc1F)C1CC1 ZINC001318720003 1108167032 /nfs/dbraw/zinc/16/70/32/1108167032.db2.gz QOVANNBBBUCTDR-QGZVFWFLSA-N 0 3 324.827 3.375 20 30 DGEDHN C=CCC[NH2+]C[C@@]1(NC(=O)c2ccccc2[O-])CCCC[C@H]1C ZINC001318739957 1108173956 /nfs/dbraw/zinc/17/39/56/1108173956.db2.gz DTVQDQURQWLDKJ-BEFAXECRSA-N 0 3 316.445 3.237 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001263821667 1108234689 /nfs/dbraw/zinc/23/46/89/1108234689.db2.gz XAGNYZUPDIWGOX-WMLDXEAASA-N 0 3 304.409 3.038 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(c2ccccc2C)CC1 ZINC001263823307 1108237070 /nfs/dbraw/zinc/23/70/70/1108237070.db2.gz KNFOLMSMHIPBMV-QGZVFWFLSA-N 0 3 312.457 3.135 20 30 DGEDHN C=CCCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001263856730 1108263135 /nfs/dbraw/zinc/26/31/35/1108263135.db2.gz ASSMDIZDKIRGMS-YDHLFZDLSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001263874146 1108277431 /nfs/dbraw/zinc/27/74/31/1108277431.db2.gz SIWTXBLYIIBOIX-ZOBUZTSGSA-N 0 3 320.864 3.335 20 30 DGEDHN C=CCO[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001324418136 1108281015 /nfs/dbraw/zinc/28/10/15/1108281015.db2.gz XURIQDJRENBLJC-SHRNQRGKSA-N 0 3 302.374 3.275 20 30 DGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC)C1 ZINC001263882257 1108282053 /nfs/dbraw/zinc/28/20/53/1108282053.db2.gz HJANKSXUFAHDDZ-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN O=C(CC1CCCC1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001319049159 1108293842 /nfs/dbraw/zinc/29/38/42/1108293842.db2.gz PKRSKVJFJVUOJI-HXUWFJFHSA-N 0 3 324.468 3.199 20 30 DGEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCCCCC)C2)CC1 ZINC001263937242 1108302581 /nfs/dbraw/zinc/30/25/81/1108302581.db2.gz WWXVJMNWKQPQSH-KRWDZBQOSA-N 0 3 304.478 3.293 20 30 DGEDHN C[C@]1(NC(=O)C#CC2CC2)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001324615766 1108377699 /nfs/dbraw/zinc/37/76/99/1108377699.db2.gz QVHAXZLUOJJECR-NRFANRHFSA-N 0 3 322.452 3.058 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001324646552 1108398670 /nfs/dbraw/zinc/39/86/70/1108398670.db2.gz INYRVSCJNWKXLB-DNVCBOLYSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)OC2CCCCC2)[C@H]1C ZINC001264141681 1108400137 /nfs/dbraw/zinc/40/01/37/1108400137.db2.gz FAUKTRQFUVJTQX-BPQIPLTHSA-N 0 3 322.493 3.269 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001324646553 1108401086 /nfs/dbraw/zinc/40/10/86/1108401086.db2.gz INYRVSCJNWKXLB-HNAYVOBHSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cccc(C)c2)[C@H]1C ZINC001264154217 1108404176 /nfs/dbraw/zinc/40/41/76/1108404176.db2.gz QPFSKHBBZYWKDH-AEFFLSMTSA-N 0 3 300.446 3.083 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001324668766 1108414444 /nfs/dbraw/zinc/41/44/44/1108414444.db2.gz IMLXGMCNEHNIIZ-QFBILLFUSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC001264372377 1108483683 /nfs/dbraw/zinc/48/36/83/1108483683.db2.gz DONDFYXFHOKQTI-AEFFLSMTSA-N 0 3 300.446 3.207 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@@H]1C=CCCC1 ZINC001319475956 1108484877 /nfs/dbraw/zinc/48/48/77/1108484877.db2.gz BCFRSXZXWVPQBO-AZUAARDMSA-N 0 3 324.468 3.221 20 30 DGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncsc1C(C)C ZINC001264376005 1108488327 /nfs/dbraw/zinc/48/83/27/1108488327.db2.gz AHCKTQBIBVZGDE-CQSZACIVSA-N 0 3 321.490 3.379 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001324904520 1108500144 /nfs/dbraw/zinc/50/01/44/1108500144.db2.gz IQJKNIFCUKJISR-QGZVFWFLSA-N 0 3 306.494 3.300 20 30 DGEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C=C(CC)CC)C2)CC1 ZINC001264495712 1108551941 /nfs/dbraw/zinc/55/19/41/1108551941.db2.gz NZHHNCVOZKIYST-MRXNPFEDSA-N 0 3 302.462 3.069 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)[C@@H]21 ZINC001264586397 1108579048 /nfs/dbraw/zinc/57/90/48/1108579048.db2.gz PBRWQALOSJYAHH-DJIMGWMZSA-N 0 3 304.478 3.051 20 30 DGEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC(C)C ZINC001264587049 1108581876 /nfs/dbraw/zinc/58/18/76/1108581876.db2.gz XFXUWPYWZDKJRO-BPQIPLTHSA-N 0 3 304.478 3.051 20 30 DGEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(C)(C)CC ZINC001264587005 1108582275 /nfs/dbraw/zinc/58/22/75/1108582275.db2.gz WUTLYISKGJQWBX-BPQIPLTHSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(CCC)CC[C@@H]1c1ccc(F)cc1 ZINC001264596407 1108586218 /nfs/dbraw/zinc/58/62/18/1108586218.db2.gz TUNKZWLXMWJGCA-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@@H]1C ZINC001264716329 1108630165 /nfs/dbraw/zinc/63/01/65/1108630165.db2.gz FGAFZAACWKIATF-QAPCUYQASA-N 0 3 316.445 3.131 20 30 DGEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)/C(C)=C\C)C2 ZINC001264746909 1108645617 /nfs/dbraw/zinc/64/56/17/1108645617.db2.gz JUPHROLSQXMVNV-ACAGNQJTSA-N 0 3 319.474 3.050 20 30 DGEDHN Cc1cccc(Cl)c1CN[C@H](CNC(=O)[C@@H](C)C#N)C(C)C ZINC001319907228 1108690493 /nfs/dbraw/zinc/69/04/93/1108690493.db2.gz RIOZEIDHQAKZFC-XJKSGUPXSA-N 0 3 321.852 3.039 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1ccsc1)C(C)C ZINC001319916632 1108693888 /nfs/dbraw/zinc/69/38/88/1108693888.db2.gz IBDGRFXJNBCNRN-CQSZACIVSA-N 0 3 314.882 3.164 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001265079591 1108723167 /nfs/dbraw/zinc/72/31/67/1108723167.db2.gz KRUPQVLFGSGHBO-ICSRJNTNSA-N 0 3 324.468 3.364 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc(C(C)C)cc1)C1CC1 ZINC001265180908 1108760921 /nfs/dbraw/zinc/76/09/21/1108760921.db2.gz GGTLSSQUTPRBFZ-UHFFFAOYSA-N 0 3 312.457 3.418 20 30 DGEDHN CC#CCN(CCCNC(=O)c1ccc2c(c1)CCC=C2)C1CC1 ZINC001265181290 1108761682 /nfs/dbraw/zinc/76/16/82/1108761682.db2.gz VZRBRDTYYZOLRF-UHFFFAOYSA-N 0 3 322.452 3.254 20 30 DGEDHN Cc1ccccc1[C@@H](C)N1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001265212655 1108779378 /nfs/dbraw/zinc/77/93/78/1108779378.db2.gz DHYRWQPLKHLNAC-AEFFLSMTSA-N 0 3 310.441 3.050 20 30 DGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001265273453 1108800163 /nfs/dbraw/zinc/80/01/63/1108800163.db2.gz QEPPZSMVQHYRPY-AWEZNQCLSA-N 0 3 307.463 3.002 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001265286523 1108806333 /nfs/dbraw/zinc/80/63/33/1108806333.db2.gz WTTJNXSBCAZDQW-LJQANCHMSA-N 0 3 312.457 3.454 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CC23CCN(CC#CC)CC3)CCCC1 ZINC001265336109 1108831175 /nfs/dbraw/zinc/83/11/75/1108831175.db2.gz QHSCIOIFIYCFRT-QGZVFWFLSA-N 0 3 314.473 3.117 20 30 DGEDHN C=C[C@H](C(=O)N1CCC[C@@H](CN(C)CCF)C1)c1ccccc1 ZINC001265399005 1108863053 /nfs/dbraw/zinc/86/30/53/1108863053.db2.gz NHHIOHRXGGLLAO-WMZOPIPTSA-N 0 3 318.436 3.096 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(F)(F)F ZINC001265413747 1108866074 /nfs/dbraw/zinc/86/60/74/1108866074.db2.gz YYSQOWCFOVWKQX-OKILXGFUSA-N 0 3 318.383 3.360 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001265491241 1108888774 /nfs/dbraw/zinc/88/87/74/1108888774.db2.gz UPGZJGQDWBDTEX-WKILWMFISA-N 0 3 318.848 3.270 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCc2ccc(F)cc2)C1 ZINC001265496221 1108889670 /nfs/dbraw/zinc/88/96/70/1108889670.db2.gz PZAFZONKURGALK-WKILWMFISA-N 0 3 324.827 3.138 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001265584956 1108920377 /nfs/dbraw/zinc/92/03/77/1108920377.db2.gz YBIFEMBVDGMXRA-INIZCTEOSA-N 0 3 315.461 3.012 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)C(C)(C)C2CCCCC2)C1 ZINC001265592627 1108924318 /nfs/dbraw/zinc/92/43/18/1108924318.db2.gz GLOGXWFJVYYHGG-QGZVFWFLSA-N 0 3 318.505 3.444 20 30 DGEDHN Cc1cc(C)cc(CN2CCCC[C@H]2CNC(=O)C#CC2CC2)c1 ZINC001265645540 1108946548 /nfs/dbraw/zinc/94/65/48/1108946548.db2.gz RIXGKCVZFSKACR-FQEVSTJZSA-N 0 3 324.468 3.188 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001265703686 1108975735 /nfs/dbraw/zinc/97/57/35/1108975735.db2.gz SOIHVVQEHIMAJR-JKSUJKDBSA-N 0 3 304.478 3.053 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001265706738 1108978101 /nfs/dbraw/zinc/97/81/01/1108978101.db2.gz YWNBYOPLVBGBRL-ZVYLKZBJSA-N 0 3 310.869 3.149 20 30 DGEDHN C[C@H](CNC(=O)CCC1CCCC1)NCc1ccc(C#N)s1 ZINC001265748232 1108990496 /nfs/dbraw/zinc/99/04/96/1108990496.db2.gz HBNHHTZNABVIOT-CYBMUJFWSA-N 0 3 319.474 3.184 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(OC)c(F)c1 ZINC001265780121 1109002911 /nfs/dbraw/zinc/00/29/11/1109002911.db2.gz WPTGNLQTRGXPDO-ZDUSSCGKSA-N 0 3 322.424 3.031 20 30 DGEDHN CC[C@@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[C@@H](C)C#N ZINC001265815221 1109012560 /nfs/dbraw/zinc/01/25/60/1109012560.db2.gz SHASXIBNFZZACF-LRDDRELGSA-N 0 3 323.387 3.014 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001265908905 1109039934 /nfs/dbraw/zinc/03/99/34/1109039934.db2.gz WTJNHQWBBZJSCO-SFHVURJKSA-N 0 3 316.420 3.285 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H]1CCCCN1C(=O)C1CCC1 ZINC001265987820 1109057209 /nfs/dbraw/zinc/05/72/09/1109057209.db2.gz GUAMSQOJQOWDJI-YLJYHZDGSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCCCN1CCC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001266224955 1109132026 /nfs/dbraw/zinc/13/20/26/1109132026.db2.gz HDTWUAXBBGRSRM-HNNXBMFYSA-N 0 3 322.474 3.055 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001279156432 1109140143 /nfs/dbraw/zinc/14/01/43/1109140143.db2.gz RFOMKYGKJZOCJY-FUHWJXTLSA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccccc1C ZINC001279298213 1109146259 /nfs/dbraw/zinc/14/62/59/1109146259.db2.gz ZSAKCNAHNFABKZ-UHFFFAOYSA-N 0 3 320.436 3.250 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC001279311297 1109146878 /nfs/dbraw/zinc/14/68/78/1109146878.db2.gz JDBFKSBLFCDHDE-LJQANCHMSA-N 0 3 324.468 3.208 20 30 DGEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](CC)C(C)(C)C ZINC001279587240 1109156779 /nfs/dbraw/zinc/15/67/79/1109156779.db2.gz LTQOTIDQHTWJKS-BRWVUGGUSA-N 0 3 304.478 3.147 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCCCCC ZINC001279589235 1109157197 /nfs/dbraw/zinc/15/71/97/1109157197.db2.gz WRPRHEVQELSEEH-ROUUACIJSA-N 0 3 304.478 3.436 20 30 DGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001316599378 1109165831 /nfs/dbraw/zinc/16/58/31/1109165831.db2.gz BVJJYMSFDFEWMM-ZIFCJYIRSA-N 0 3 304.478 3.456 20 30 DGEDHN C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)Cc1ccccc1 ZINC001280324973 1109186328 /nfs/dbraw/zinc/18/63/28/1109186328.db2.gz OAQKGYFQZKFZMG-INIZCTEOSA-N 0 3 321.424 3.094 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)CCC(C)(C)C)C2)CC1 ZINC001280394462 1109197478 /nfs/dbraw/zinc/19/74/78/1109197478.db2.gz NOKYSSJDRSZDNE-QGZVFWFLSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCCCCC(=O)NCc1cccc2c1CCN(CC(=C)C)C2 ZINC001280424332 1109201147 /nfs/dbraw/zinc/20/11/47/1109201147.db2.gz LXUJCGBZAKBZBM-UHFFFAOYSA-N 0 3 324.468 3.431 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1cccnc1 ZINC001280451945 1109205570 /nfs/dbraw/zinc/20/55/70/1109205570.db2.gz IZCXFJSYCSTJSS-SJLPKXTDSA-N 0 3 315.461 3.155 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)/C=C\C(C)(C)C)C1 ZINC001280890241 1109270100 /nfs/dbraw/zinc/27/01/00/1109270100.db2.gz VZMJFGOBMIOSJU-NJYOSPNCSA-N 0 3 316.489 3.315 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CC(F)(F)F)cc2C1 ZINC001281284885 1109321759 /nfs/dbraw/zinc/32/17/59/1109321759.db2.gz MZANLCGTJWUOCM-UHFFFAOYSA-N 0 3 312.335 3.147 20 30 DGEDHN C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@@H]1NCC#Cc1ccccc1 ZINC001281389391 1109343840 /nfs/dbraw/zinc/34/38/40/1109343840.db2.gz WCKDQJQEJCOFMA-DLCGEFHDSA-N 0 3 324.468 3.077 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)C(CC)(CC)CC)C(C)(C)C1 ZINC001281572926 1109382864 /nfs/dbraw/zinc/38/28/64/1109382864.db2.gz XBZYFAKLRBMQDA-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001281678178 1109395327 /nfs/dbraw/zinc/39/53/27/1109395327.db2.gz ZUBGDLQIXHWFJA-YJBOKZPZSA-N 0 3 315.461 3.215 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CCc3ccccc3)CC2)C[C@@H]1C ZINC001281682082 1109395699 /nfs/dbraw/zinc/39/56/99/1109395699.db2.gz GLMDOZIMLYMCAF-PKOBYXMFSA-N 0 3 324.468 3.002 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2cc[nH]c2c1 ZINC001281749205 1109403707 /nfs/dbraw/zinc/40/37/07/1109403707.db2.gz QOTNSKBIYHNPGM-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)C ZINC001281777036 1109407151 /nfs/dbraw/zinc/40/71/51/1109407151.db2.gz RQFJHMFOOFAUFV-QGZVFWFLSA-N 0 3 300.446 3.324 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)CC ZINC001281902143 1109414328 /nfs/dbraw/zinc/41/43/28/1109414328.db2.gz XPGSMVYBGDUDAP-POZUXBRTSA-N 0 3 300.446 3.371 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1[nH]c2ccccc2c1Cl ZINC001282428046 1109506800 /nfs/dbraw/zinc/50/68/00/1109506800.db2.gz ZENJGBZVUNTJNU-LLVKDONJSA-N 0 3 305.809 3.057 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2c(o1)c(F)ccc2C ZINC001282437189 1109509697 /nfs/dbraw/zinc/50/96/97/1109509697.db2.gz HOPPMPDKDOUZGE-GFCCVEGCSA-N 0 3 304.365 3.116 20 30 DGEDHN CCCC1(C(=O)NC[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001316620474 1109517079 /nfs/dbraw/zinc/51/70/79/1109517079.db2.gz MKMQNOGHTLMLBJ-KDURUIRLSA-N 0 3 324.468 3.103 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001282693358 1109553445 /nfs/dbraw/zinc/55/34/45/1109553445.db2.gz OAPWMELKCNDHOI-OAHLLOKOSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001282793623 1109566273 /nfs/dbraw/zinc/56/62/73/1109566273.db2.gz ZEZJMWUKHVHKTN-QGZVFWFLSA-N 0 3 300.446 3.288 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@@H]2C1 ZINC001282958967 1109584441 /nfs/dbraw/zinc/58/44/41/1109584441.db2.gz ROOFNXIPTJDCFT-HRCADAONSA-N 0 3 310.869 3.312 20 30 DGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)C(CC)CC)C[C@]2(C)C1 ZINC001282985716 1109586754 /nfs/dbraw/zinc/58/67/54/1109586754.db2.gz QPCLXSFJLKUJAA-FFZOFVMBSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001283078522 1109592104 /nfs/dbraw/zinc/59/21/04/1109592104.db2.gz SFHJOSWPTYGAFI-HOMQSWHASA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(Cl)o1 ZINC001283126747 1109597079 /nfs/dbraw/zinc/59/70/79/1109597079.db2.gz NHFKMAXOOGHAHP-JTQLQIEISA-N 0 3 305.205 3.174 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(F)ccc1F ZINC001283190208 1109601997 /nfs/dbraw/zinc/60/19/97/1109601997.db2.gz SHSBSOWILHBRQA-LLVKDONJSA-N 0 3 316.779 3.205 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283664168 1109668624 /nfs/dbraw/zinc/66/86/24/1109668624.db2.gz VGQZSXOEMKAPNC-YLJYHZDGSA-N 0 3 312.457 3.077 20 30 DGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001283677639 1109672157 /nfs/dbraw/zinc/67/21/57/1109672157.db2.gz CDJKUHGHIUJXBX-KRWDZBQOSA-N 0 3 312.457 3.077 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001316629541 1109684670 /nfs/dbraw/zinc/68/46/70/1109684670.db2.gz AJJRZCFYORFUFR-JOCQHMNTSA-N 0 3 324.877 3.045 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)CCCCCCCC)CCC[C@H]12 ZINC001284069807 1109728493 /nfs/dbraw/zinc/72/84/93/1109728493.db2.gz HJTZTUSONFZGSR-PKOBYXMFSA-N 0 3 304.478 3.483 20 30 DGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCOc2ccccc2)[C@H]1C ZINC001284150246 1109749312 /nfs/dbraw/zinc/74/93/12/1109749312.db2.gz AFJNRVZADCDXFA-AEFFLSMTSA-N 0 3 316.445 3.001 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C(C)(C)C1 ZINC001284275037 1109768011 /nfs/dbraw/zinc/76/80/11/1109768011.db2.gz DKUNGHSNIZYGQY-INIZCTEOSA-N 0 3 322.399 3.258 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccc(Cl)cc1C)C(C)C ZINC001284544328 1109807801 /nfs/dbraw/zinc/80/78/01/1109807801.db2.gz GNRIDDZVFKKUFM-UHFFFAOYSA-N 0 3 320.864 3.454 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1cccc(F)c1)C(C)C ZINC001284557304 1109811677 /nfs/dbraw/zinc/81/16/77/1109811677.db2.gz BSKCYLOWJFWJKD-HNNXBMFYSA-N 0 3 306.425 3.284 20 30 DGEDHN CCC(=O)N[C@H](CNCC#Cc1cccc(Cl)c1)C(C)(C)C ZINC001284562243 1109813040 /nfs/dbraw/zinc/81/30/40/1109813040.db2.gz JULZCULOYREUCF-MRXNPFEDSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C[C@H](CC(=O)N[C@@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001284651756 1109833981 /nfs/dbraw/zinc/83/39/81/1109833981.db2.gz AZXBMCHORAGICT-WBVHZDCISA-N 0 3 320.452 3.436 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](CNCCF)C(C)(C)C)c1ccccc1 ZINC001284651755 1109833998 /nfs/dbraw/zinc/83/39/98/1109833998.db2.gz AZXBMCHORAGICT-RDJZCZTQSA-N 0 3 320.452 3.436 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C=C2CCCCC2)CC1 ZINC001284678294 1109839226 /nfs/dbraw/zinc/83/92/26/1109839226.db2.gz ZUWDFAOQZYDOGX-MRXNPFEDSA-N 0 3 302.462 3.117 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001316634990 1109859452 /nfs/dbraw/zinc/85/94/52/1109859452.db2.gz OMEKLTSAWGIKAQ-HAQNSBGRSA-N 0 3 305.249 3.146 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001316640067 1109982192 /nfs/dbraw/zinc/98/21/92/1109982192.db2.gz VNBQVBRMEFSIDF-FRFSOERESA-N 0 3 320.864 3.417 20 30 DGEDHN C=CCCC[C@@H](C(=O)NCCN1CCCC1)c1ccccc1 ZINC001290393085 1110244951 /nfs/dbraw/zinc/24/49/51/1110244951.db2.gz PHWLNHPOZGLXIU-GOSISDBHSA-N 0 3 300.446 3.339 20 30 DGEDHN C=CCCCCn1c(CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001301187937 1111083941 /nfs/dbraw/zinc/08/39/41/1111083941.db2.gz FJQZQBFYLSYZKT-JKSUJKDBSA-N 0 3 319.497 3.116 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2oc(C(F)F)cc2C)C1 ZINC001317376802 1111191508 /nfs/dbraw/zinc/19/15/08/1111191508.db2.gz RVOFMSJYWFIIRE-CYBMUJFWSA-N 0 3 324.371 3.085 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H]1CC ZINC001316735922 1111193127 /nfs/dbraw/zinc/19/31/27/1111193127.db2.gz JEDNPXYYLWAKMJ-UONOGXRCSA-N 0 3 314.420 3.050 20 30 DGEDHN Cc1cc(F)c(C#N)c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001307069160 1111261888 /nfs/dbraw/zinc/26/18/88/1111261888.db2.gz QZBMLNLBEPDUQN-GASCZTMLSA-N 0 3 319.424 3.307 20 30 DGEDHN CCOc1ccc([C@H](NCC#CCOC)C(C)C)cc1OCC ZINC001307629275 1111321181 /nfs/dbraw/zinc/32/11/81/1111321181.db2.gz OTFGHAMLXUKUFM-LJQANCHMSA-N 0 3 319.445 3.421 20 30 DGEDHN C#CCCN(CCOC)CCOc1ccc(C(F)(F)F)cc1 ZINC001307955577 1111359871 /nfs/dbraw/zinc/35/98/71/1111359871.db2.gz BWKXOSUDUFQIKB-UHFFFAOYSA-N 0 3 315.335 3.056 20 30 DGEDHN C#CCOc1ccc(CNCc2ccc(C(=O)OC)c(C)c2)cc1 ZINC001308409022 1111425998 /nfs/dbraw/zinc/42/59/98/1111425998.db2.gz NHQYKFBPPBJITQ-UHFFFAOYSA-N 0 3 323.392 3.083 20 30 DGEDHN N#Cc1ccc(Br)c(CNCCc2ccns2)c1 ZINC001308503146 1111435430 /nfs/dbraw/zinc/43/54/30/1111435430.db2.gz HFUPNVJKNCWXHA-UHFFFAOYSA-N 0 3 322.231 3.110 20 30 DGEDHN CSc1ccccc1C[C@H](C)NCC1(C#N)CCOCC1 ZINC001308976322 1111503268 /nfs/dbraw/zinc/50/32/68/1111503268.db2.gz DELABIZDGRQDKS-AWEZNQCLSA-N 0 3 304.459 3.249 20 30 DGEDHN C#CCN(C(=O)NCC[C@@H](C)CC(C)(C)C)C1CCN(C)CC1 ZINC001312509433 1111657917 /nfs/dbraw/zinc/65/79/17/1111657917.db2.gz YNQNVJZTRWRBBX-MRXNPFEDSA-N 0 3 321.509 3.188 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCC(F)(F)C1 ZINC001316804337 1111741422 /nfs/dbraw/zinc/74/14/22/1111741422.db2.gz GSWBGVOQEIUYMP-GJZGRUSLSA-N 0 3 314.420 3.311 20 30 DGEDHN CC#CCCCC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001317040045 1111742387 /nfs/dbraw/zinc/74/23/87/1111742387.db2.gz VPKCHVCBPBIAHO-JXMNSVBMSA-N 0 3 310.869 3.103 20 30 DGEDHN C=CCCCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccc(F)cc1 ZINC001316720623 1111756936 /nfs/dbraw/zinc/75/69/36/1111756936.db2.gz IFYVKOHTCSFSCJ-QZTJIDSGSA-N 0 3 318.436 3.476 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)C2(CC=C)CCCC2)CC(C)(C)C1 ZINC001316810018 1111776033 /nfs/dbraw/zinc/77/60/33/1111776033.db2.gz FPSPKHIFFUMWLL-QGZVFWFLSA-N 0 3 316.489 3.363 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C=C)c2ccccc2)CC(C)(C)C1 ZINC001316810884 1111776616 /nfs/dbraw/zinc/77/66/16/1111776616.db2.gz KDAMSRYYSOQRMX-OALUTQOASA-N 0 3 324.468 3.196 20 30 DGEDHN CC[C@H](NC[C@H](O)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278303518 214077384 /nfs/dbraw/zinc/07/73/84/214077384.db2.gz SEEIZOFCROJACP-OALUTQOASA-N 0 3 310.397 3.341 20 30 DGEDHN CC#CCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278468135 214172829 /nfs/dbraw/zinc/17/28/29/214172829.db2.gz ZUVFTUFRRBKYCM-UHFFFAOYSA-N 0 3 313.319 3.204 20 30 DGEDHN N#Cc1cc2c(nc1N[C@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000328642050 231279290 /nfs/dbraw/zinc/27/92/90/231279290.db2.gz FUPSGVPRSHZSJZ-SFHVURJKSA-N 0 3 318.424 3.128 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)CCC#N)C(C)(C)c1ccccc1 ZINC000180013433 529586440 /nfs/dbraw/zinc/58/64/40/529586440.db2.gz WCKYDFUZBKOLFG-KRWDZBQOSA-N 0 3 315.461 3.095 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000346542014 529649030 /nfs/dbraw/zinc/64/90/30/529649030.db2.gz NJYPMECYEMOTAR-WFASDCNBSA-N 0 3 319.836 3.332 20 30 DGEDHN C=CCC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000090539392 185301725 /nfs/dbraw/zinc/30/17/25/185301725.db2.gz WWDHMEWHYJTULG-INIZCTEOSA-N 0 3 300.362 3.088 20 30 DGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000092401151 185316122 /nfs/dbraw/zinc/31/61/22/185316122.db2.gz WXQCKOLDPYKTLZ-UKRRQHHQSA-N 0 3 319.474 3.137 20 30 DGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@H](CC)N(CC)CC)cc1 ZINC000345755018 529718477 /nfs/dbraw/zinc/71/84/77/529718477.db2.gz FEBDIQBCXUTTBE-IRXDYDNUSA-N 0 3 301.434 3.050 20 30 DGEDHN CN1CCC(Oc2ccc(CNc3cccc(C#N)n3)cc2)CC1 ZINC000286619588 219087480 /nfs/dbraw/zinc/08/74/80/219087480.db2.gz YTJVDFCEJPFJAC-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DGEDHN C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000181459054 199299454 /nfs/dbraw/zinc/29/94/54/199299454.db2.gz OHWPNWOFAVTPRE-HNNXBMFYSA-N 0 3 306.413 3.404 20 30 DGEDHN CN(CCCC(C)(C)C#N)Cc1cn(C)nc1C(F)(F)F ZINC000155036802 529880461 /nfs/dbraw/zinc/88/04/61/529880461.db2.gz UAZWPJIABBEPHO-UHFFFAOYSA-N 0 3 302.344 3.201 20 30 DGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCCOC1 ZINC000348710321 530014710 /nfs/dbraw/zinc/01/47/10/530014710.db2.gz OLUPRQCSGUYINF-GOSISDBHSA-N 0 3 324.428 3.075 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000129941540 432011699 /nfs/dbraw/zinc/01/16/99/432011699.db2.gz YEMSTVJYEAXSFM-DOTOQJQBSA-N 0 3 305.466 3.086 20 30 DGEDHN C=CCCCC(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000272692744 210097332 /nfs/dbraw/zinc/09/73/32/210097332.db2.gz UTAALWIVEATARF-GOSISDBHSA-N 0 3 316.445 3.305 20 30 DGEDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000130224743 432017949 /nfs/dbraw/zinc/01/79/49/432017949.db2.gz OJLCYQQJWJAWKD-GOSISDBHSA-N 0 3 322.412 3.365 20 30 DGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)CC(C)(C)C#N)CC1 ZINC000375719527 229582751 /nfs/dbraw/zinc/58/27/51/229582751.db2.gz NTANWFAYIKYLQY-OAHLLOKOSA-N 0 3 313.445 3.268 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)c2ccccc2F)CC1 ZINC000106035240 432019333 /nfs/dbraw/zinc/01/93/33/432019333.db2.gz PSEUFIRYSKLHEQ-HNNXBMFYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(C(C)(C)C)s2)CC1 ZINC000106034217 432019481 /nfs/dbraw/zinc/01/94/81/432019481.db2.gz SXEOYDSAJUWQOC-UHFFFAOYSA-N 0 3 321.490 3.211 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000106037754 432019496 /nfs/dbraw/zinc/01/94/96/432019496.db2.gz CKFOSJQAHIFZOB-ROUUACIJSA-N 0 3 316.420 3.086 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(C)cc2)CC1 ZINC000106274974 432020799 /nfs/dbraw/zinc/02/07/99/432020799.db2.gz ZRGCHTQBHCXHRU-UHFFFAOYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1sccc1OC)C(C)C ZINC000106294179 432020893 /nfs/dbraw/zinc/02/08/93/432020893.db2.gz UTMHAVBMDKABTJ-CQSZACIVSA-N 0 3 322.474 3.185 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ccccc3)cn2)CC1 ZINC000066921010 432024001 /nfs/dbraw/zinc/02/40/01/432024001.db2.gz HKUBRMDWPXJJBG-UHFFFAOYSA-N 0 3 319.408 3.032 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000175636338 186183303 /nfs/dbraw/zinc/18/33/03/186183303.db2.gz CGWQIEZQXXZLOB-XYJFISCASA-N 0 3 315.461 3.303 20 30 DGEDHN C=CCN1CCC(NC(=O)Cc2cccc3ccccc32)CC1 ZINC000171725094 197974585 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ZINC000286539215 283076323 /nfs/dbraw/zinc/07/63/23/283076323.db2.gz YPXKLTZUVOMHCR-HNNXBMFYSA-N 0 3 321.852 3.389 20 30 DGEDHN C#CCCCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000179896354 199092738 /nfs/dbraw/zinc/09/27/38/199092738.db2.gz XJVZYHMNIJCAIW-UHFFFAOYSA-N 0 3 318.486 3.270 20 30 DGEDHN Cc1cc(C)c(C#N)c(NCC2CCN(c3ccncc3)CC2)n1 ZINC000180046146 199111419 /nfs/dbraw/zinc/11/14/19/199111419.db2.gz CTUUQUSLWWHYJG-UHFFFAOYSA-N 0 3 321.428 3.294 20 30 DGEDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000180239186 199135010 /nfs/dbraw/zinc/13/50/10/199135010.db2.gz IAPAYSWGEGYSLO-UHFFFAOYSA-N 0 3 312.388 3.470 20 30 DGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000179962441 432075790 /nfs/dbraw/zinc/07/57/90/432075790.db2.gz NAHOQIYHODIGTD-BEFAXECRSA-N 0 3 319.408 3.404 20 30 DGEDHN N#Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)s1 ZINC000180785000 199208984 /nfs/dbraw/zinc/20/89/84/199208984.db2.gz MPICXJGJQVEVJX-CXAGYDPISA-N 0 3 301.459 3.068 20 30 DGEDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000134502208 432078522 /nfs/dbraw/zinc/07/85/22/432078522.db2.gz JSOCLMPRCVFNNX-GOSISDBHSA-N 0 3 312.388 3.470 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H](SC)C1 ZINC000134549692 432078777 /nfs/dbraw/zinc/07/87/77/432078777.db2.gz IHLBVLNALFBNMW-HNNXBMFYSA-N 0 3 320.458 3.163 20 30 DGEDHN Cc1nc(C[C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000187677383 200143535 /nfs/dbraw/zinc/14/35/35/200143535.db2.gz WTNJOIGGGDSGHP-BBRMVZONSA-N 0 3 310.401 3.265 20 30 DGEDHN N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)s1 ZINC000428542960 238024994 /nfs/dbraw/zinc/02/49/94/238024994.db2.gz RUFQDIPJZPBEOI-DLBZAZTESA-N 0 3 316.401 3.015 20 30 DGEDHN COc1ccc(CNCC2(CC#N)CC2)cc1OCCCC#N ZINC000430041679 238065038 /nfs/dbraw/zinc/06/50/38/238065038.db2.gz AMYHLGIHISREQT-UHFFFAOYSA-N 0 3 313.401 3.161 20 30 DGEDHN COCc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433223027 238151455 /nfs/dbraw/zinc/15/14/55/238151455.db2.gz ZJPAFRZJTBUWJO-IBGZPJMESA-N 0 3 322.408 3.222 20 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0 3 312.421 3.033 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(OC)c(C#N)c2)C12CCC2 ZINC000135156515 432103105 /nfs/dbraw/zinc/10/31/05/432103105.db2.gz ZGAOAPMIHMNYPX-MSOLQXFVSA-N 0 3 314.429 3.346 20 30 DGEDHN C=CCN1CCC(N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449121299 240028048 /nfs/dbraw/zinc/02/80/48/240028048.db2.gz HDHLWMVVUPYWPG-CQSZACIVSA-N 0 3 310.363 3.331 20 30 DGEDHN CO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000449505141 240254147 /nfs/dbraw/zinc/25/41/47/240254147.db2.gz QXZAFISFXLHQQM-QAPCUYQASA-N 0 3 302.418 3.226 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccccc2F)s1 ZINC000449517911 240261141 /nfs/dbraw/zinc/26/11/41/240261141.db2.gz HVCNFLLTNMZISJ-CABCVRRESA-N 0 3 304.390 3.382 20 30 DGEDHN C=CCOc1ccc(CN[C@H](C)[C@@H](OC)C2CC2)cc1OC ZINC000449627076 240329037 /nfs/dbraw/zinc/32/90/37/240329037.db2.gz FWYABXYKSLIZDJ-FZKQIMNGSA-N 0 3 305.418 3.163 20 30 DGEDHN COCCOC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135236884 432107344 /nfs/dbraw/zinc/10/73/44/432107344.db2.gz BUCQYVMFLDSFHM-UHFFFAOYSA-N 0 3 316.445 3.115 20 30 DGEDHN CC(C)C[C@]1(C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000451289516 241069566 /nfs/dbraw/zinc/06/95/66/241069566.db2.gz JXJQTCMTUKHDQK-IBGZPJMESA-N 0 3 313.445 3.075 20 30 DGEDHN COC(=O)[C@](C)(CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000189946655 432108356 /nfs/dbraw/zinc/10/83/56/432108356.db2.gz ZGKINNUZBDBUEP-MGPUTAFESA-N 0 3 322.408 3.340 20 30 DGEDHN CO[C@@H]1C[C@H](NCc2cc(C#N)ccc2Br)C1(C)C ZINC000451514188 241152922 /nfs/dbraw/zinc/15/29/22/241152922.db2.gz ZLNZDSYVXJWBHY-UONOGXRCSA-N 0 3 323.234 3.224 20 30 DGEDHN N#Cc1cc(Cl)ccc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451591601 241181776 /nfs/dbraw/zinc/18/17/76/241181776.db2.gz AUDRMRKVCYUSOW-IRXDYDNUSA-N 0 3 304.821 3.098 20 30 DGEDHN N#Cc1ccc(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451616581 241191729 /nfs/dbraw/zinc/19/17/29/241191729.db2.gz RZVMPFSITGNAII-RDJZCZTQSA-N 0 3 304.821 3.098 20 30 DGEDHN N#CCCN(C(=O)CN[C@@H]1CCC12CCCC2)c1ccccc1 ZINC000451455012 241127825 /nfs/dbraw/zinc/12/78/25/241127825.db2.gz JKVUFRQGPYIOKX-QGZVFWFLSA-N 0 3 311.429 3.246 20 30 DGEDHN CC(C)OCCOC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000451951808 241281380 /nfs/dbraw/zinc/28/13/80/241281380.db2.gz MVRAZZBSVZAIJT-UHFFFAOYSA-N 0 3 316.445 3.159 20 30 DGEDHN COc1ccc([C@H](C)N(C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000268599346 432109536 /nfs/dbraw/zinc/10/95/36/432109536.db2.gz ICIQFADPZKXFOF-LIRRHRJNSA-N 0 3 310.397 3.293 20 30 DGEDHN C=CCNC(=O)[C@@H](C)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000246229660 432110244 /nfs/dbraw/zinc/11/02/44/432110244.db2.gz SZDBBBMJXVLUOQ-HUUCEWRRSA-N 0 3 315.461 3.149 20 30 DGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453451955 241791450 /nfs/dbraw/zinc/79/14/50/241791450.db2.gz LKMKYZCQYMFARB-JKSUJKDBSA-N 0 3 319.497 3.288 20 30 DGEDHN COc1cccc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000268613367 432111620 /nfs/dbraw/zinc/11/16/20/432111620.db2.gz LKNYJGHHYBHADI-WOJBJXKFSA-N 0 3 322.408 3.437 20 30 DGEDHN COc1cccc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000268613362 432111858 /nfs/dbraw/zinc/11/18/58/432111858.db2.gz LKNYJGHHYBHADI-UXHICEINSA-N 0 3 322.408 3.437 20 30 DGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC(C)(C)CCC#N ZINC000454958585 242073852 /nfs/dbraw/zinc/07/38/52/242073852.db2.gz LKGZIKHAGTTXMG-INIZCTEOSA-N 0 3 322.497 3.126 20 30 DGEDHN COc1cccc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000268613364 432112104 /nfs/dbraw/zinc/11/21/04/432112104.db2.gz LKNYJGHHYBHADI-VQTJNVASSA-N 0 3 322.408 3.437 20 30 DGEDHN C=C(C)CCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000455324324 242168200 /nfs/dbraw/zinc/16/82/00/242168200.db2.gz MAXTYALBYILLIE-KRWDZBQOSA-N 0 3 315.461 3.116 20 30 DGEDHN C=CCC1(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CCC1 ZINC000190015560 432113219 /nfs/dbraw/zinc/11/32/19/432113219.db2.gz JFOSCVNOVCWLDB-MRXNPFEDSA-N 0 3 300.446 3.370 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000456002509 242325614 /nfs/dbraw/zinc/32/56/14/242325614.db2.gz MTFWWGKFGYTULG-GOSISDBHSA-N 0 3 322.412 3.291 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469765248 244123600 /nfs/dbraw/zinc/12/36/00/244123600.db2.gz AJPKRXZALQVGAJ-IBGZPJMESA-N 0 3 314.473 3.453 20 30 DGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000470968978 244198731 /nfs/dbraw/zinc/19/87/31/244198731.db2.gz SZBSWCGWAGNMBK-KBXCAEBGSA-N 0 3 309.413 3.326 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000471831841 244254286 /nfs/dbraw/zinc/25/42/86/244254286.db2.gz NAGYMVFGJWKEDJ-INIZCTEOSA-N 0 3 315.461 3.257 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000471902370 244266119 /nfs/dbraw/zinc/26/61/19/244266119.db2.gz YSJZKDTYJRBEAB-QGZVFWFLSA-N 0 3 313.445 3.011 20 30 DGEDHN C=CCC[C@H](O)CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000472568701 244309057 /nfs/dbraw/zinc/30/90/57/244309057.db2.gz XCHYNJHCKFQWSL-QAPCUYQASA-N 0 3 322.880 3.346 20 30 DGEDHN C=C(C)CN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000482197915 244790542 /nfs/dbraw/zinc/79/05/42/244790542.db2.gz GASPWMAJVGWHPO-QGZVFWFLSA-N 0 3 314.473 3.364 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](c3nncn3C(C)C)C2)ccc1C#N ZINC000488123871 245150885 /nfs/dbraw/zinc/15/08/85/245150885.db2.gz BQWPDBUXEGZVEQ-GOSISDBHSA-N 0 3 323.444 3.419 20 30 DGEDHN Cc1ccc2ncc(C#N)c(N[C@H](C)CN3CCCCC3)c2c1 ZINC000487928544 245123256 /nfs/dbraw/zinc/12/32/56/245123256.db2.gz WDMWISSBGQJEHU-OAHLLOKOSA-N 0 3 308.429 3.123 20 30 DGEDHN COc1ccc([C@H](CCO)NCc2ccc(C#N)c(C)c2)cc1 ZINC000488136547 245152760 /nfs/dbraw/zinc/15/27/60/245152760.db2.gz RVQAGXOGPONMGT-IBGZPJMESA-N 0 3 310.397 3.089 20 30 DGEDHN CCn1cnnc1[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246363170 432122922 /nfs/dbraw/zinc/12/29/22/432122922.db2.gz LITIRQVSZZIJSB-RHSMWYFYSA-N 0 3 309.417 3.110 20 30 DGEDHN Cc1cc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)ccc1C#N ZINC000488334910 245177342 /nfs/dbraw/zinc/17/73/42/245177342.db2.gz RFMOTWBHWVDXAM-INIZCTEOSA-N 0 3 314.429 3.420 20 30 DGEDHN CCC1CCC(N(CCO)Cc2ccc(C#N)cc2OC)CC1 ZINC000488245244 245165806 /nfs/dbraw/zinc/16/58/06/245165806.db2.gz QVIYLEJTOFMPAO-UHFFFAOYSA-N 0 3 316.445 3.330 20 30 DGEDHN CC(=O)c1ccc(C#N)cc1N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488750536 245229828 /nfs/dbraw/zinc/22/98/28/245229828.db2.gz NWTLONJIFWUHSQ-AWEZNQCLSA-N 0 3 311.429 3.071 20 30 DGEDHN C=CCn1cccc1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000488964938 245255368 /nfs/dbraw/zinc/25/53/68/245255368.db2.gz BNDILODAJTUKHL-UHFFFAOYSA-N 0 3 315.461 3.011 20 30 DGEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488982470 245257489 /nfs/dbraw/zinc/25/74/89/245257489.db2.gz PTTGZUVHAPRCJD-LJQANCHMSA-N 0 3 314.429 3.278 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489862867 245353983 /nfs/dbraw/zinc/35/39/83/245353983.db2.gz REBGEXUVWCLAKR-VVLHAWIVSA-N 0 3 307.482 3.103 20 30 DGEDHN C=CCC[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000246368807 432124068 /nfs/dbraw/zinc/12/40/68/432124068.db2.gz ZBKNKXKUUBTZPX-IAGOWNOFSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCn1cccc1C(=O)N(CCN(C)C)C1CCCCC1 ZINC000490031167 245375140 /nfs/dbraw/zinc/37/51/40/245375140.db2.gz KMPPSNZIYQDIBT-UHFFFAOYSA-N 0 3 303.450 3.011 20 30 DGEDHN C[C@H](C1CCCCC1)N(C)CC(=O)Nc1sccc1C#N ZINC000282518004 217056027 /nfs/dbraw/zinc/05/60/27/217056027.db2.gz SSUMTSUMTHQTIJ-GFCCVEGCSA-N 0 3 305.447 3.459 20 30 DGEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000274667667 211811017 /nfs/dbraw/zinc/81/10/17/211811017.db2.gz XADKATYTHRPQDX-ZDUSSCGKSA-N 0 3 317.433 3.451 20 30 DGEDHN Cc1cc(C2CCN(CCCOc3cccc(C#N)c3)CC2)n[nH]1 ZINC000271666474 209109301 /nfs/dbraw/zinc/10/93/01/209109301.db2.gz WBKSRRAWOAFDFX-UHFFFAOYSA-N 0 3 324.428 3.238 20 30 DGEDHN Cc1cc(C2CCN(CCCOc3cccc(C#N)c3)CC2)[nH]n1 ZINC000271666474 209109307 /nfs/dbraw/zinc/10/93/07/209109307.db2.gz WBKSRRAWOAFDFX-UHFFFAOYSA-N 0 3 324.428 3.238 20 30 DGEDHN C=C(Cl)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000267535563 206129302 /nfs/dbraw/zinc/12/93/02/206129302.db2.gz YIUOVKMPYHVEBB-ZBFHGGJFSA-N 0 3 321.852 3.091 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000495402215 246264584 /nfs/dbraw/zinc/26/45/84/246264584.db2.gz PUFAEZPAIZUGKC-IAGOWNOFSA-N 0 3 303.450 3.252 20 30 DGEDHN C=C(C)[C@@H](NC1CCN(C(=O)OC)CC1)c1ccc(F)c(F)c1 ZINC000495555596 246280427 /nfs/dbraw/zinc/28/04/27/246280427.db2.gz GNHLUEAVJQMMMB-MRXNPFEDSA-N 0 3 324.371 3.402 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(F)cc(F)c1)C(C)C ZINC000496015571 246340780 /nfs/dbraw/zinc/34/07/80/246340780.db2.gz VLHYWUMRWRXCNO-QGZVFWFLSA-N 0 3 322.399 3.393 20 30 DGEDHN CN(C)Cc1ccc(CNCc2ccc(C#N)s2)cc1F ZINC000136072788 284494570 /nfs/dbraw/zinc/49/45/70/284494570.db2.gz XCXWUUOACLLDEQ-UHFFFAOYSA-N 0 3 303.406 3.110 20 30 DGEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)CN1Cc1ccccc1 ZINC000151309593 284558117 /nfs/dbraw/zinc/55/81/17/284558117.db2.gz JTYJXMOULRPOHR-RHSMWYFYSA-N 0 3 311.454 3.372 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@@](C)(O)c2ccsc2)cc1 ZINC000269074020 207222500 /nfs/dbraw/zinc/22/25/00/207222500.db2.gz XRWOOFCQTKTVGN-RDTXWAMCSA-N 0 3 315.438 3.318 20 30 DGEDHN C=C(C)[C@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)OCC ZINC000270043946 208098425 /nfs/dbraw/zinc/09/84/25/208098425.db2.gz PCUBXVNTKPGKTF-INIZCTEOSA-N 0 3 315.417 3.322 20 30 DGEDHN C#CCCCCN[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495687588 533034374 /nfs/dbraw/zinc/03/43/74/533034374.db2.gz KXUSAEAMLJGHGI-AWEZNQCLSA-N 0 3 317.433 3.305 20 30 DGEDHN C=C[C@@H](CC(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000270267942 208335208 /nfs/dbraw/zinc/33/52/08/208335208.db2.gz FVUSYUAPUGKFNY-KRWDZBQOSA-N 0 3 300.446 3.289 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C[C@H]1CCCN(C)C1)c1ccccc1 ZINC000270288432 208363598 /nfs/dbraw/zinc/36/35/98/208363598.db2.gz ABNUDILAIXIEER-IRXDYDNUSA-N 0 3 300.446 3.147 20 30 DGEDHN N#Cc1ccc(NCc2ccc(OCCN3CCCC3)cc2)cn1 ZINC000337665550 253156525 /nfs/dbraw/zinc/15/65/25/253156525.db2.gz PLHQOXJFSFHQAA-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DGEDHN Cc1ccc([C@H](CNC(=O)c2cccc(C#N)c2C)N(C)C)cc1 ZINC000338160227 253233960 /nfs/dbraw/zinc/23/39/60/253233960.db2.gz GTFGVQDTDCKKBE-IBGZPJMESA-N 0 3 321.424 3.208 20 30 DGEDHN COC(=O)C(C)(C)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000338546497 253308376 /nfs/dbraw/zinc/30/83/76/253308376.db2.gz MLHJZQVIXBTQPP-UHFFFAOYSA-N 0 3 300.402 3.112 20 30 DGEDHN C#CCCOc1ccc(CN2CCC(CCCO)CC2)cc1 ZINC000272963676 210347488 /nfs/dbraw/zinc/34/74/88/210347488.db2.gz QQMVNXQPNQDDFS-UHFFFAOYSA-N 0 3 301.430 3.073 20 30 DGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@H](O)C3)c2)c1 ZINC000158781278 197300573 /nfs/dbraw/zinc/30/05/73/197300573.db2.gz UJUKHPQOYNMOLT-IBGZPJMESA-N 0 3 322.408 3.094 20 30 DGEDHN CC(C#N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000345302798 533108278 /nfs/dbraw/zinc/10/82/78/533108278.db2.gz DKHOYKPBWIAODM-ZDUSSCGKSA-N 0 3 314.385 3.236 20 30 DGEDHN C#CCOc1ccc([C@@H](C)NC[C@H](O)c2cccc(F)c2)cc1 ZINC000157627339 197202293 /nfs/dbraw/zinc/20/22/93/197202293.db2.gz MBALQGYLNWHBGH-KUHUBIRLSA-N 0 3 313.372 3.222 20 30 DGEDHN COc1cccc(C[C@H](C)NC2(c3cccc(C#N)c3)CC2)n1 ZINC000342792882 254051231 /nfs/dbraw/zinc/05/12/31/254051231.db2.gz QERHDCQQZRCHAJ-AWEZNQCLSA-N 0 3 307.397 3.172 20 30 DGEDHN CC[C@H]1CN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000342832540 254061576 /nfs/dbraw/zinc/06/15/76/254061576.db2.gz SWKXSDGQGNNLBW-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000188289840 533161080 /nfs/dbraw/zinc/16/10/80/533161080.db2.gz RWGWUQZVUJEWOK-HNAYVOBHSA-N 0 3 314.429 3.368 20 30 DGEDHN C#CC[C@H](NCCc1nc2ccccc2n1C)c1ccccc1 ZINC000271649744 209095269 /nfs/dbraw/zinc/09/52/69/209095269.db2.gz AYXYCIGYWQGNJH-KRWDZBQOSA-N 0 3 303.409 3.470 20 30 DGEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000271583677 209033091 /nfs/dbraw/zinc/03/30/91/209033091.db2.gz VRVPBHCWSBWCGB-PXAZEXFGSA-N 0 3 316.426 3.494 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)s1)Cc1ccccc1F ZINC000289694698 221160526 /nfs/dbraw/zinc/16/05/26/221160526.db2.gz FTJUIVZQHDQLQA-UHFFFAOYSA-N 0 3 317.433 3.323 20 30 DGEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000345839028 533236838 /nfs/dbraw/zinc/23/68/38/533236838.db2.gz IMUJVGDFLQLKDI-UONOGXRCSA-N 0 3 321.380 3.276 20 30 DGEDHN COCCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000339067015 533263014 /nfs/dbraw/zinc/26/30/14/533263014.db2.gz HVQLINORVPGHFZ-OFQRWUPVSA-N 0 3 318.417 3.063 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000413454153 533289400 /nfs/dbraw/zinc/28/94/00/533289400.db2.gz MSFRBFBGBLFMCN-ZWUHOBOKSA-N 0 3 319.836 3.282 20 30 DGEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442805834 533335276 /nfs/dbraw/zinc/33/52/76/533335276.db2.gz ZOLGJIUWNXCCQU-UHFFFAOYSA-N 0 3 324.424 3.258 20 30 DGEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1C(C)C ZINC000429369741 533434025 /nfs/dbraw/zinc/43/40/25/533434025.db2.gz YRTYYILUTGQXRP-HOCLYGCPSA-N 0 3 320.820 3.231 20 30 DGEDHN COc1cccc(N2CC[C@H](NCc3ccc(C#N)c(C)c3)C2)c1 ZINC000443968058 533587911 /nfs/dbraw/zinc/58/79/11/533587911.db2.gz NEEUJGTZWXWARM-SFHVURJKSA-N 0 3 321.424 3.244 20 30 DGEDHN C[C@@H](N[C@H](C)c1cc2ccccc2s1)C(=O)N(C)CCC#N ZINC000184375174 533532374 /nfs/dbraw/zinc/53/23/74/533532374.db2.gz ZQMSDURDCOCAPS-CHWSQXEVSA-N 0 3 315.442 3.312 20 30 DGEDHN CN(C(=O)CN1CCC2(C1)CCCCC2)C1(C#N)CCCCC1 ZINC000303912029 400117370 /nfs/dbraw/zinc/11/73/70/400117370.db2.gz MYQNEKCIGSIBBD-UHFFFAOYSA-N 0 3 317.477 3.327 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000584689084 400088396 /nfs/dbraw/zinc/08/83/96/400088396.db2.gz XHKPVTZUARGDJR-HUUCEWRRSA-N 0 3 317.481 3.041 20 30 DGEDHN C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000584689082 400088894 /nfs/dbraw/zinc/08/88/94/400088894.db2.gz XHKPVTZUARGDJR-CABCVRRESA-N 0 3 317.481 3.041 20 30 DGEDHN CN(CCc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000595286457 400117835 /nfs/dbraw/zinc/11/78/35/400117835.db2.gz IFUBRYHGDQOVEN-UHFFFAOYSA-N 0 3 308.381 3.004 20 30 DGEDHN C=CCCSCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000595060535 400095208 /nfs/dbraw/zinc/09/52/08/400095208.db2.gz UZNVPMOYGBAIHM-CQSZACIVSA-N 0 3 306.475 3.348 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccc(F)c(F)c1)CC2 ZINC000584809138 400106371 /nfs/dbraw/zinc/10/63/71/400106371.db2.gz DDFCPTYBGRRZOV-GOSISDBHSA-N 0 3 314.335 3.492 20 30 DGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000595104179 400107414 /nfs/dbraw/zinc/10/74/14/400107414.db2.gz QFEPFCFVFHTNGI-ATZDWAIDSA-N 0 3 314.429 3.164 20 30 DGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000595104184 400108236 /nfs/dbraw/zinc/10/82/36/400108236.db2.gz QFEPFCFVFHTNGI-MNEFBYGVSA-N 0 3 314.429 3.164 20 30 DGEDHN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000595248604 400112611 /nfs/dbraw/zinc/11/26/11/400112611.db2.gz BIIRDADZRVMSDU-SJORKVTESA-N 0 3 313.445 3.378 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303764137 400113591 /nfs/dbraw/zinc/11/35/91/400113591.db2.gz IBDKPAWWETYBHV-DOTOQJQBSA-N 0 3 316.420 3.204 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2ccn(C(F)F)c2c1 ZINC000595255104 400113862 /nfs/dbraw/zinc/11/38/62/400113862.db2.gz JANGEWNWPCZKEM-ZDUSSCGKSA-N 0 3 320.343 3.386 20 30 DGEDHN CN(C(=O)[C@H](N)CCCCC#N)C1CC(C)(C)CC(C)(C)C1 ZINC000595255527 400114652 /nfs/dbraw/zinc/11/46/52/400114652.db2.gz YNTMWASRZDMSRL-OAHLLOKOSA-N 0 3 307.482 3.461 20 30 DGEDHN CCCn1nccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000581380679 400079488 /nfs/dbraw/zinc/07/94/88/400079488.db2.gz BURVQYHVEJPBLS-LLVKDONJSA-N 0 3 322.290 3.197 20 30 DGEDHN N#CC1(CCCN2CCC=C(c3ccccn3)C2)CCOCC1 ZINC000581922497 400084247 /nfs/dbraw/zinc/08/42/47/400084247.db2.gz REYMTVJCOMKARH-UHFFFAOYSA-N 0 3 311.429 3.271 20 30 DGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(C)C)cc2C)CC1 ZINC000066920813 400129280 /nfs/dbraw/zinc/12/92/80/400129280.db2.gz IDLSESWXRXSQPD-UHFFFAOYSA-N 0 3 314.429 3.066 20 30 DGEDHN CN(C)[C@H](CNc1cnccc1C#N)c1ccc(Cl)cc1 ZINC000091731172 400133834 /nfs/dbraw/zinc/13/38/34/400133834.db2.gz ANWHFEKXNYFHSU-MRXNPFEDSA-N 0 3 300.793 3.321 20 30 DGEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000585756174 400138585 /nfs/dbraw/zinc/13/85/85/400138585.db2.gz WUVMPKHVSUQPNA-NRFANRHFSA-N 0 3 319.452 3.225 20 30 DGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccnc(-c2ccccc2)c1 ZINC000600756389 400145086 /nfs/dbraw/zinc/14/50/86/400145086.db2.gz HVOIQRRSEHCAIF-KRWDZBQOSA-N 0 3 309.413 3.139 20 30 DGEDHN C#CCCOc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000092072893 400154052 /nfs/dbraw/zinc/15/40/52/400154052.db2.gz NMHVYDQFOZLDFP-QGZVFWFLSA-N 0 3 309.413 3.191 20 30 DGEDHN Cc1cc(C#N)ccc1CN(C)CCCN(C)Cc1ccco1 ZINC000586788447 400155352 /nfs/dbraw/zinc/15/53/52/400155352.db2.gz XPHWJRNXFRFEFD-UHFFFAOYSA-N 0 3 311.429 3.414 20 30 DGEDHN N#CCN1CCC(NCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000609335071 400160536 /nfs/dbraw/zinc/16/05/36/400160536.db2.gz SFFQZSNZPDHVJR-UHFFFAOYSA-N 0 3 313.376 3.163 20 30 DGEDHN COc1ccc(COCCN(C)Cc2cccc(C#N)c2)cc1 ZINC000609385085 400164197 /nfs/dbraw/zinc/16/41/97/400164197.db2.gz NPKSPOXKKLKSTE-UHFFFAOYSA-N 0 3 310.397 3.215 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(F)c1F)C(C)C ZINC000588231155 400203083 /nfs/dbraw/zinc/20/30/83/400203083.db2.gz VXEFHXWUXJYRFC-INIZCTEOSA-N 0 3 322.399 3.393 20 30 DGEDHN CCC(C)(C)[C@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000595639603 400214860 /nfs/dbraw/zinc/21/48/60/400214860.db2.gz VBVTYHVVMAWAOB-HNNXBMFYSA-N 0 3 301.434 3.348 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCCCCC#N)C1 ZINC000588621254 400217185 /nfs/dbraw/zinc/21/71/85/400217185.db2.gz FDGLOSNYIHYSHM-GOSISDBHSA-N 0 3 313.445 3.193 20 30 DGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C1CCC(F)CC1 ZINC000595821145 400271035 /nfs/dbraw/zinc/27/10/35/400271035.db2.gz XBHAKOJXJHPXLL-LRVUVFPRSA-N 0 3 303.381 3.003 20 30 DGEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)C1CCC(F)CC1 ZINC000595821141 400271089 /nfs/dbraw/zinc/27/10/89/400271089.db2.gz XBHAKOJXJHPXLL-GRTSSRMGSA-N 0 3 303.381 3.003 20 30 DGEDHN CC(C)CC1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000595830475 400274197 /nfs/dbraw/zinc/27/41/97/400274197.db2.gz FHPXVOCOFBQSAS-UHFFFAOYSA-N 0 3 305.809 3.318 20 30 DGEDHN CCOC(=O)C1(C)CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000601272624 400280913 /nfs/dbraw/zinc/28/09/13/400280913.db2.gz JIWJREWTLHHZAM-PQUAAJSLSA-N 0 3 300.402 3.353 20 30 DGEDHN CC(C)CCN(CCC(C)C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000610657209 400285708 /nfs/dbraw/zinc/28/57/08/400285708.db2.gz LCAQSEMHDBSAFA-GOSISDBHSA-N 0 3 309.498 3.435 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CC)C2CCCCC2)CC1 ZINC000106341319 400326227 /nfs/dbraw/zinc/32/62/27/400326227.db2.gz VRZKVQBZGCYOTM-UHFFFAOYSA-N 0 3 307.482 3.391 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000610720063 400297202 /nfs/dbraw/zinc/29/72/02/400297202.db2.gz MMUZSFOPAODQGG-IBGZPJMESA-N 0 3 323.415 3.404 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(CC)c(C)s2)CC1 ZINC000106040239 400324991 /nfs/dbraw/zinc/32/49/91/400324991.db2.gz RDGQKRITYXVHFZ-UHFFFAOYSA-N 0 3 306.475 3.389 20 30 DGEDHN Cc1ccc(OC[C@H](O)CN2CCC(CCC#N)CC2)c(C)c1 ZINC000578129763 400325650 /nfs/dbraw/zinc/32/56/50/400325650.db2.gz ATCIYYHVAMBSKJ-GOSISDBHSA-N 0 3 316.445 3.059 20 30 DGEDHN N#Cc1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1F ZINC000595786537 400259535 /nfs/dbraw/zinc/25/95/35/400259535.db2.gz BBXSJWBLBYIOCU-YJBOKZPZSA-N 0 3 302.393 3.478 20 30 DGEDHN COc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cc1C#N ZINC000595785348 400259556 /nfs/dbraw/zinc/25/95/56/400259556.db2.gz DSWBMZFLDOGWGJ-QFBILLFUSA-N 0 3 314.429 3.348 20 30 DGEDHN COc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1C#N ZINC000595785346 400259966 /nfs/dbraw/zinc/25/99/66/400259966.db2.gz DSWBMZFLDOGWGJ-LPHOPBHVSA-N 0 3 314.429 3.348 20 30 DGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000611372057 400385770 /nfs/dbraw/zinc/38/57/70/400385770.db2.gz RHBVBRKCWZLJCP-LJQANCHMSA-N 0 3 323.415 3.404 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 ZINC000106340576 400326502 /nfs/dbraw/zinc/32/65/02/400326502.db2.gz GCBGZWKMCXNSDX-UHFFFAOYSA-N 0 3 307.482 3.247 20 30 DGEDHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1cccc(C#N)c1 ZINC000610987368 400333202 /nfs/dbraw/zinc/33/32/02/400333202.db2.gz ICUYLIUIOGSMHB-KDOFPFPSSA-N 0 3 311.429 3.142 20 30 DGEDHN CNC(=O)c1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611391631 400391413 /nfs/dbraw/zinc/39/14/13/400391413.db2.gz KIEDEQYNEAUCGM-IBGZPJMESA-N 0 3 319.408 3.085 20 30 DGEDHN N#CC1(CCN2CCC([C@@H](O)C(F)(F)F)CC2)CCCCC1 ZINC000580819640 400347152 /nfs/dbraw/zinc/34/71/52/400347152.db2.gz QEVRUXRNTZOGQM-CQSZACIVSA-N 0 3 318.383 3.486 20 30 DGEDHN Cc1ncc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)s1 ZINC000601771709 400347429 /nfs/dbraw/zinc/34/74/29/400347429.db2.gz KLPHFVZKONCZCV-WFASDCNBSA-N 0 3 313.426 3.401 20 30 DGEDHN CC1(C)CCCN(CCNc2nc3ncccc3cc2C#N)C1 ZINC000596213152 400352299 /nfs/dbraw/zinc/35/22/99/400352299.db2.gz UGCBZSQJUGAMIU-UHFFFAOYSA-N 0 3 309.417 3.035 20 30 DGEDHN COc1cccc([C@@H](C)N2CCN(C[C@H](C)CCC#N)CC2)c1 ZINC000590592918 400399467 /nfs/dbraw/zinc/39/94/67/400399467.db2.gz CSIQATBFDYULMG-IAGOWNOFSA-N 0 3 315.461 3.314 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CC)CC2)CC1 ZINC000117493406 400418787 /nfs/dbraw/zinc/41/87/87/400418787.db2.gz TVIJJZDOFYWJKY-MRXNPFEDSA-N 0 3 307.482 3.249 20 30 DGEDHN COc1ccc2c(c1)C[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CO2 ZINC000590778465 400433228 /nfs/dbraw/zinc/43/32/28/400433228.db2.gz JKWURYRTBKWIFF-VQIMIIECSA-N 0 3 320.392 3.147 20 30 DGEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C12CCCC2 ZINC000590739070 400426884 /nfs/dbraw/zinc/42/68/84/400426884.db2.gz NRCLHWFRXVOJLL-QZTJIDSGSA-N 0 3 314.429 3.394 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)Nc1c(C#N)nnc2ccccc21 ZINC000596487003 400427219 /nfs/dbraw/zinc/42/72/19/400427219.db2.gz CSMFQYWHCILNLD-CQSZACIVSA-N 0 3 309.417 3.034 20 30 DGEDHN N#Cc1ccsc1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602231497 400427996 /nfs/dbraw/zinc/42/79/96/400427996.db2.gz WLHBNGJLCIPRHN-HNNXBMFYSA-N 0 3 311.410 3.080 20 30 DGEDHN C[C@@H](CCC#N)CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000602430082 400459736 /nfs/dbraw/zinc/45/97/36/400459736.db2.gz KPIFEZFGUPVLOW-AWEZNQCLSA-N 0 3 312.417 3.319 20 30 DGEDHN C[C@H](CCC#N)CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000602437137 400460402 /nfs/dbraw/zinc/46/04/02/400460402.db2.gz VGGOGMPNPYPCHF-ZIAGYGMSSA-N 0 3 308.447 3.023 20 30 DGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000073455043 400450826 /nfs/dbraw/zinc/45/08/26/400450826.db2.gz ABXAOKAHVDGACL-BBRMVZONSA-N 0 3 319.836 3.285 20 30 DGEDHN COc1ccccc1C[C@H](NCc1cccc(C#N)n1)C(C)C ZINC000602573181 400500092 /nfs/dbraw/zinc/50/00/92/400500092.db2.gz PVELDYDZMKQLTQ-SFHVURJKSA-N 0 3 309.413 3.319 20 30 DGEDHN C[C@@]1(C#N)CCCN(CCCCCN2CCC[C@](C)(C#N)C2)C1 ZINC000612162546 400501622 /nfs/dbraw/zinc/50/16/22/400501622.db2.gz OQXHLDGYIIFQEZ-KDURUIRLSA-N 0 3 316.493 3.408 20 30 DGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccccc1Cl ZINC000602582563 400504101 /nfs/dbraw/zinc/50/41/01/400504101.db2.gz NNMVLQFDCPJBFZ-CQSZACIVSA-N 0 3 322.836 3.407 20 30 DGEDHN Cc1ccc(C#N)cc1NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000591317478 400509760 /nfs/dbraw/zinc/50/97/60/400509760.db2.gz JQKZDDMZBRPVFL-GOSISDBHSA-N 0 3 307.397 3.498 20 30 DGEDHN C[C@@H](CCC#N)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000602441016 400463471 /nfs/dbraw/zinc/46/34/71/400463471.db2.gz NCEHBYBOVDOBRM-INIZCTEOSA-N 0 3 305.466 3.041 20 30 DGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H](C)C2CC2)c1 ZINC000073800215 400469524 /nfs/dbraw/zinc/46/95/24/400469524.db2.gz FBQIFQBWFKIOBJ-MRXNPFEDSA-N 0 3 313.445 3.280 20 30 DGEDHN C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCC(C)CC1 ZINC000123888852 400472533 /nfs/dbraw/zinc/47/25/33/400472533.db2.gz JIGCGMMCGQYUOO-CYBMUJFWSA-N 0 3 319.836 3.062 20 30 DGEDHN CC(C)Oc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602516446 400485625 /nfs/dbraw/zinc/48/56/25/400485625.db2.gz LXUMWGPZYGMCGG-HNNXBMFYSA-N 0 3 317.433 3.057 20 30 DGEDHN CO[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602518497 400485973 /nfs/dbraw/zinc/48/59/73/400485973.db2.gz OWIBKJQOSLECHV-DOTOQJQBSA-N 0 3 302.418 3.063 20 30 DGEDHN Cc1ccccc1OCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602517470 400485999 /nfs/dbraw/zinc/48/59/99/400485999.db2.gz CIRJQPHZNVBZJP-INIZCTEOSA-N 0 3 302.418 3.062 20 30 DGEDHN COc1ccc(Br)c(CNC[C@@H](C)CCC#N)c1 ZINC000602531631 400489940 /nfs/dbraw/zinc/48/99/40/400489940.db2.gz ZAVRTXJKXBYQDQ-NSHDSACASA-N 0 3 311.223 3.487 20 30 DGEDHN COCCc1ccc(OC[C@H](C)NCC(C)(C)CC#N)cc1 ZINC000597150424 400570111 /nfs/dbraw/zinc/57/01/11/400570111.db2.gz BRVWLTYNMHCLPN-HNNXBMFYSA-N 0 3 304.434 3.172 20 30 DGEDHN C[C@@H](CC#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000596889637 400518115 /nfs/dbraw/zinc/51/81/15/400518115.db2.gz PKOSBLIGOLJSFU-FUHWJXTLSA-N 0 3 313.445 3.126 20 30 DGEDHN COC[C@@H](C)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597178105 400577687 /nfs/dbraw/zinc/57/76/87/400577687.db2.gz VRCIWZXGIZTNMD-CVEARBPZSA-N 0 3 302.418 3.226 20 30 DGEDHN Cc1cc(C#N)cc(NC(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000596928487 400526536 /nfs/dbraw/zinc/52/65/36/400526536.db2.gz WPKCUHXXUMRGRQ-OAHLLOKOSA-N 0 3 314.433 3.109 20 30 DGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc(C(=O)OCC)no1 ZINC000602695478 400542901 /nfs/dbraw/zinc/54/29/01/400542901.db2.gz WQOSNUNRMMTFOO-HNNXBMFYSA-N 0 3 314.385 3.128 20 30 DGEDHN Cc1sc(NC(=O)[C@@H](N)CCCC#N)nc1-c1ccccc1 ZINC000591591111 400544229 /nfs/dbraw/zinc/54/42/29/400544229.db2.gz FZPDGEBFWJQDFG-ZDUSSCGKSA-N 0 3 314.414 3.078 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1OC)C(C)C ZINC000046049370 400547023 /nfs/dbraw/zinc/54/70/23/400547023.db2.gz HXQMKLHIIZTDJB-QGZVFWFLSA-N 0 3 316.445 3.124 20 30 DGEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000591626927 400548029 /nfs/dbraw/zinc/54/80/29/400548029.db2.gz LWOOFTKIJLUBDG-IBGZPJMESA-N 0 3 321.424 3.033 20 30 DGEDHN Cc1cc(N2CCCN(Cc3ccccc3C)CC2)c(C#N)cn1 ZINC000591817851 400562269 /nfs/dbraw/zinc/56/22/69/400562269.db2.gz ZTGPYSMLIFRGQE-UHFFFAOYSA-N 0 3 320.440 3.282 20 30 DGEDHN C[C@@]12COC[C@]1(C)CN(Cc1cccc(OCCCC#N)c1)C2 ZINC000597196928 400583648 /nfs/dbraw/zinc/58/36/48/400583648.db2.gz VFJQVFINRHVJGA-KDURUIRLSA-N 0 3 314.429 3.228 20 30 DGEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CCc2ccccc21 ZINC000597238618 400596664 /nfs/dbraw/zinc/59/66/64/400596664.db2.gz GUMWCLYSPOJCTB-QGZVFWFLSA-N 0 3 316.408 3.368 20 30 DGEDHN C=CCN1CCC(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000592069480 400601809 /nfs/dbraw/zinc/60/18/09/400601809.db2.gz RKHUCVRYPLFIJR-YOEHRIQHSA-N 0 3 316.445 3.102 20 30 DGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@@H]1Oc1ccccc1 ZINC000618609239 400641450 /nfs/dbraw/zinc/64/14/50/400641450.db2.gz ZTEVHKSZZCUGMB-BVRUVYRISA-N 0 3 314.429 3.283 20 30 DGEDHN C[C@H](CC#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000597277850 400605666 /nfs/dbraw/zinc/60/56/66/400605666.db2.gz IILANPZHFFOQBB-SOLBZPMBSA-N 0 3 313.445 3.048 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(N2CCCC2)nc1 ZINC000618741996 400680077 /nfs/dbraw/zinc/68/00/77/400680077.db2.gz OLXWGUSNXQIQSS-IBGZPJMESA-N 0 3 318.424 3.331 20 30 DGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000597859999 400681387 /nfs/dbraw/zinc/68/13/87/400681387.db2.gz JKNXZSXJVFFQOI-IRXDYDNUSA-N 0 3 313.445 3.063 20 30 DGEDHN N#Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000603865086 400726339 /nfs/dbraw/zinc/72/63/39/400726339.db2.gz QQIIWQXOVIJACT-OALUTQOASA-N 0 3 303.409 3.126 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(C)CCCCc1ccccc1 ZINC000613456806 400726432 /nfs/dbraw/zinc/72/64/32/400726432.db2.gz SFACBKBWEKMBLU-UHFFFAOYSA-N 0 3 302.462 3.366 20 30 DGEDHN C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000597949718 400703131 /nfs/dbraw/zinc/70/31/31/400703131.db2.gz WDTOZVFKZDJEPI-OAHLLOKOSA-N 0 3 313.445 3.174 20 30 DGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](c2ccccc2)C1 ZINC000077272962 400703746 /nfs/dbraw/zinc/70/37/46/400703746.db2.gz MJLAFYREYVAHDH-SFHVURJKSA-N 0 3 322.408 3.435 20 30 DGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000618892955 400711332 /nfs/dbraw/zinc/71/13/32/400711332.db2.gz TVRSPXUFFLGCIP-OALUTQOASA-N 0 3 323.440 3.069 20 30 DGEDHN C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000052101537 400716539 /nfs/dbraw/zinc/71/65/39/400716539.db2.gz ADOPNZGRMUHIGF-OLZOCXBDSA-N 0 3 302.378 3.141 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC000598401879 400804184 /nfs/dbraw/zinc/80/41/84/400804184.db2.gz YFLVZIDYUBLKFM-RBUKOAKNSA-N 0 3 321.424 3.279 20 30 DGEDHN C[C@]1(C#N)CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000598413163 400808358 /nfs/dbraw/zinc/80/83/58/400808358.db2.gz XEJZAJLJNJGVGJ-LJQANCHMSA-N 0 3 311.429 3.048 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000078587427 400812682 /nfs/dbraw/zinc/81/26/82/400812682.db2.gz XSHVPUHOPQQMAL-VQIMIIECSA-N 0 3 308.425 3.251 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](CCF)C1 ZINC000598222651 400764903 /nfs/dbraw/zinc/76/49/03/400764903.db2.gz BKPNBFOGEQRRDO-IAGOWNOFSA-N 0 3 302.393 3.357 20 30 DGEDHN CN(CCN1CCCCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000593111514 400765341 /nfs/dbraw/zinc/76/53/41/400765341.db2.gz FTGGMNMCKUAAKK-UHFFFAOYSA-N 0 3 323.387 3.077 20 30 DGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)CC1(C#N)CCCCC1 ZINC000598265563 400771357 /nfs/dbraw/zinc/77/13/57/400771357.db2.gz UQZOASBSQFGBDO-MRXNPFEDSA-N 0 3 305.466 3.087 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N(CCC2CC2)CC2CC2)cc1 ZINC000598467717 400819237 /nfs/dbraw/zinc/81/92/37/400819237.db2.gz PQYPATZCHGNUJU-LJQANCHMSA-N 0 3 321.424 3.279 20 30 DGEDHN COCC1(NC(=O)C(C#N)CCc2ccccc2)CCCCC1 ZINC000598549641 400829565 /nfs/dbraw/zinc/82/95/65/400829565.db2.gz ATUJBNXQWMGCFF-QGZVFWFLSA-N 0 3 314.429 3.224 20 30 DGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598587184 400836693 /nfs/dbraw/zinc/83/66/93/400836693.db2.gz ONOABFSSLUZKKJ-CYBMUJFWSA-N 0 3 314.351 3.438 20 30 DGEDHN COc1ccccc1[C@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598589692 400837173 /nfs/dbraw/zinc/83/71/73/400837173.db2.gz KONPCVHSZHOUSY-GDBMZVCRSA-N 0 3 302.418 3.133 20 30 DGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598586784 400837586 /nfs/dbraw/zinc/83/75/86/400837586.db2.gz ZRIAYGAXUFSNJP-AWEZNQCLSA-N 0 3 314.351 3.438 20 30 DGEDHN C[C@@H]1SCCN(C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000598593244 400838287 /nfs/dbraw/zinc/83/82/87/400838287.db2.gz RELWQMJSOYWNCN-USXIJHARSA-N 0 3 318.486 3.466 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN1CCS[C@H](c2ccccc2)C1 ZINC000598593490 400838615 /nfs/dbraw/zinc/83/86/15/400838615.db2.gz UGLNRLHACYMOPC-CVEARBPZSA-N 0 3 304.459 3.077 20 30 DGEDHN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598591924 400839002 /nfs/dbraw/zinc/83/90/02/400839002.db2.gz FSPRGCDCIGEBHE-STQMWFEESA-N 0 3 309.479 3.308 20 30 DGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598599818 400841674 /nfs/dbraw/zinc/84/16/74/400841674.db2.gz FXRJRSGYLJDUQH-GJZGRUSLSA-N 0 3 304.434 3.425 20 30 DGEDHN C=CCN(CC=C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000079224253 400852891 /nfs/dbraw/zinc/85/28/91/400852891.db2.gz SHAJGVHVAREQRJ-OAHLLOKOSA-N 0 3 319.474 3.269 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000598699688 400861262 /nfs/dbraw/zinc/86/12/62/400861262.db2.gz HTTOKARGYPVWQY-TZMCWYRMSA-N 0 3 308.422 3.253 20 30 DGEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@@H](O)CC(C)(C)C#N ZINC000598713829 400863658 /nfs/dbraw/zinc/86/36/58/400863658.db2.gz DIAWYHYNINWJLU-ZFWWWQNUSA-N 0 3 304.434 3.492 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(-c2ccco2)cc1F ZINC000598723750 400866119 /nfs/dbraw/zinc/86/61/19/400866119.db2.gz KCEFCSQCGGJUCZ-OAHLLOKOSA-N 0 3 316.376 3.476 20 30 DGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000598726777 400867167 /nfs/dbraw/zinc/86/71/67/400867167.db2.gz BIWIOCKQLTYLHN-WBMJQRKESA-N 0 3 308.372 3.233 20 30 DGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079714057 400889988 /nfs/dbraw/zinc/88/99/88/400889988.db2.gz YVUFQSVEAQDNEC-SECBINFHSA-N 0 3 300.280 3.482 20 30 DGEDHN C=C(C)CN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181643782 400890112 /nfs/dbraw/zinc/89/01/12/400890112.db2.gz FBSXSPJCYUWPMF-HNNXBMFYSA-N 0 3 305.441 3.194 20 30 DGEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000614407707 400896679 /nfs/dbraw/zinc/89/66/79/400896679.db2.gz XGCRLGOUCSPDGS-RCDICMHDSA-N 0 3 312.438 3.455 20 30 DGEDHN C=CCN1CCC(NC(=O)NCC2(C)CCCCCC2)CC1 ZINC000183594260 400901181 /nfs/dbraw/zinc/90/11/81/400901181.db2.gz KDRDMFYJNDSGRZ-UHFFFAOYSA-N 0 3 307.482 3.297 20 30 DGEDHN N#CC1(c2ccc(CNC[C@@H]3Cc4ccccc4CO3)cc2)CC1 ZINC000598989529 400921837 /nfs/dbraw/zinc/92/18/37/400921837.db2.gz LADBEJBTTRQDLU-FQEVSTJZSA-N 0 3 318.420 3.473 20 30 DGEDHN CC(C)CCO[C@H]1CC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000598997173 400924615 /nfs/dbraw/zinc/92/46/15/400924615.db2.gz YSPNKCYSWPXBDZ-CTYIDZIISA-N 0 3 307.463 3.478 20 30 DGEDHN CCN(Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599274331 401009419 /nfs/dbraw/zinc/00/94/19/401009419.db2.gz QNBKJJBPGONSAQ-IBGZPJMESA-N 0 3 324.424 3.129 20 30 DGEDHN CC(C)OC(=O)C[C@H](NCc1cccc(C#N)c1F)C(C)C ZINC000594046844 400963836 /nfs/dbraw/zinc/96/38/36/400963836.db2.gz UEZYTDZBZMOGOE-HNNXBMFYSA-N 0 3 306.381 3.153 20 30 DGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515224 401065947 /nfs/dbraw/zinc/06/59/47/401065947.db2.gz AZEQMUJTDQCHFT-CABCVRRESA-N 0 3 320.383 3.199 20 30 DGEDHN Cc1ccc(CN(C(=O)[C@H](N)CCCCC#N)C(C)C)s1 ZINC000594431767 401066710 /nfs/dbraw/zinc/06/67/10/401066710.db2.gz RATUEOBQPGEUNP-OAHLLOKOSA-N 0 3 307.463 3.205 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000594441213 401070198 /nfs/dbraw/zinc/07/01/98/401070198.db2.gz OVZYICVEHOFDSR-MRXNPFEDSA-N 0 3 324.384 3.224 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1c(F)cccc1Cl ZINC000594445632 401072114 /nfs/dbraw/zinc/07/21/14/401072114.db2.gz JIQHMRLUUMBWND-GWCFXTLKSA-N 0 3 311.788 3.068 20 30 DGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000081532119 401075627 /nfs/dbraw/zinc/07/56/27/401075627.db2.gz CPXKOPYHDIKPCN-IBGZPJMESA-N 0 3 323.415 3.404 20 30 DGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599345450 401028300 /nfs/dbraw/zinc/02/83/00/401028300.db2.gz QQTOLYTZNITCMM-RISCZKNCSA-N 0 3 312.335 3.411 20 30 DGEDHN Cc1cc(C)cc(CN(C)C[C@@H](O)COc2ccccc2C#N)c1 ZINC000599385759 401039637 /nfs/dbraw/zinc/03/96/37/401039637.db2.gz LTCMXMHXQYEIAV-LJQANCHMSA-N 0 3 324.424 3.047 20 30 DGEDHN Cc1ccccc1OCCN(C)CCOc1ccc(C#N)cc1 ZINC000057972697 401039695 /nfs/dbraw/zinc/03/96/95/401039695.db2.gz RAQIMRPNVDTFRI-UHFFFAOYSA-N 0 3 310.397 3.256 20 30 DGEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2C)[C@H]2CCC[C@H]21 ZINC000599656026 401104640 /nfs/dbraw/zinc/10/46/40/401104640.db2.gz SNNJWRSLDGPAPZ-KSZLIROESA-N 0 3 312.413 3.030 20 30 DGEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640189 401099729 /nfs/dbraw/zinc/09/97/29/401099729.db2.gz GNQADFIGTDIAPK-HKUYNNGSSA-N 0 3 315.461 3.399 20 30 DGEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cc(C)ccc1C ZINC000599640659 401099748 /nfs/dbraw/zinc/09/97/48/401099748.db2.gz LXYNPHNFYFVMMN-RDJZCZTQSA-N 0 3 301.434 3.105 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1C(F)F ZINC000599904226 401159641 /nfs/dbraw/zinc/15/96/41/401159641.db2.gz YKMRMGRYOWATKR-GJZGRUSLSA-N 0 3 306.356 3.405 20 30 DGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1 ZINC000621469817 401224916 /nfs/dbraw/zinc/22/49/16/401224916.db2.gz ULHIBPMJLGXGCK-UHFFFAOYSA-N 0 3 324.424 3.460 20 30 DGEDHN C=CCCNCc1ccc(F)cc1I ZINC000594960257 401208363 /nfs/dbraw/zinc/20/83/63/401208363.db2.gz NXOPSNNKLUZVPL-UHFFFAOYSA-N 0 3 305.134 3.096 20 30 DGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000089910476 401243054 /nfs/dbraw/zinc/24/30/54/401243054.db2.gz NSRSAVPNFHFWCZ-UHFFFAOYSA-N 0 3 311.404 3.261 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)C(C)(C)O)cc1OC ZINC000623395347 401507293 /nfs/dbraw/zinc/50/72/93/401507293.db2.gz IHRPOUNKGNHTBW-NSHDSACASA-N 0 3 313.825 3.162 20 30 DGEDHN C=CCOc1c(Cl)cc(CN[C@@H](CC)[C@H](C)O)cc1OC ZINC000623540363 401543016 /nfs/dbraw/zinc/54/30/16/401543016.db2.gz WGEPNBPECYXUDX-FZMZJTMJSA-N 0 3 313.825 3.162 20 30 DGEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185554172 165007796 /nfs/dbraw/zinc/00/77/96/165007796.db2.gz FDODRMPWODDVNB-GUYCJALGSA-N 0 3 308.381 3.221 20 30 DGEDHN CCOC(=O)C[C@](C)(NCc1ccc(F)c(C#N)c1)C(C)C ZINC000186668190 165054348 /nfs/dbraw/zinc/05/43/48/165054348.db2.gz UCAZJJYLBVCYIM-KRWDZBQOSA-N 0 3 306.381 3.155 20 30 DGEDHN COc1ccccc1CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191309077 165242369 /nfs/dbraw/zinc/24/23/69/165242369.db2.gz YMSVIUFTIDCHHB-UHFFFAOYSA-N 0 3 323.440 3.360 20 30 DGEDHN Cn1cc(CN[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1C#N ZINC000191613612 165260728 /nfs/dbraw/zinc/26/07/28/165260728.db2.gz MLQIBLNTPFIWIT-MOPGFXCFSA-N 0 3 323.440 3.370 20 30 DGEDHN Cc1nn(C)c(C)c1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360842079 165926166 /nfs/dbraw/zinc/92/61/66/165926166.db2.gz VCVYQCHIVASQDO-LJQANCHMSA-N 0 3 308.429 3.466 20 30 DGEDHN C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1cccc(C#N)c1 ZINC000182135772 432160606 /nfs/dbraw/zinc/16/06/06/432160606.db2.gz FFSNRVYGBXAVPZ-WMLDXEAASA-N 0 3 300.402 3.285 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000171736953 432166491 /nfs/dbraw/zinc/16/64/91/432166491.db2.gz NPPXOVWYOPKBBJ-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000171737353 432166559 /nfs/dbraw/zinc/16/65/59/432166559.db2.gz UQYKGHHYNLYYEO-UHFFFAOYSA-N 0 3 311.788 3.251 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC000171811666 432174515 /nfs/dbraw/zinc/17/45/15/432174515.db2.gz IAWWABAMSRATKT-UHFFFAOYSA-N 0 3 309.413 3.062 20 30 DGEDHN CCN(CC)[C@H](CNCc1cc(C#N)n(C)c1)c1ccsc1 ZINC000190758881 432187653 /nfs/dbraw/zinc/18/76/53/432187653.db2.gz MHTPVPCOMRKOME-QGZVFWFLSA-N 0 3 316.474 3.131 20 30 DGEDHN N#Cc1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)ccc1F ZINC000269693710 432198758 /nfs/dbraw/zinc/19/87/58/432198758.db2.gz OQXBZUBJFGIMIL-INIZCTEOSA-N 0 3 301.365 3.043 20 30 DGEDHN COCc1ccccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190919549 432202115 /nfs/dbraw/zinc/20/21/15/432202115.db2.gz LKWBIBMXMYQKEW-OAHLLOKOSA-N 0 3 317.348 3.266 20 30 DGEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000150891128 432200500 /nfs/dbraw/zinc/20/05/00/432200500.db2.gz FDMLUEKTWFZGPU-MRXNPFEDSA-N 0 3 305.466 3.396 20 30 DGEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1cc(C#N)ccc1C ZINC000172220460 432202889 /nfs/dbraw/zinc/20/28/89/432202889.db2.gz YLVMOVNKUNWOAT-MRXNPFEDSA-N 0 3 314.433 3.253 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(C)C)CC2)CC1 ZINC000172229918 432203409 /nfs/dbraw/zinc/20/34/09/432203409.db2.gz ULRJSZWNJDQTSH-MRXNPFEDSA-N 0 3 307.482 3.105 20 30 DGEDHN C=C(C)[C@@H](CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)OCC ZINC000270115644 432227016 /nfs/dbraw/zinc/22/70/16/432227016.db2.gz UHYZMRPAMWNQFJ-QZTJIDSGSA-N 0 3 318.461 3.085 20 30 DGEDHN COc1ccc(C2(NCc3cc(C#N)n(C)c3)CCCC2)cc1 ZINC000191083664 432219630 /nfs/dbraw/zinc/21/96/30/432219630.db2.gz QBPPCZDAKCNEJS-UHFFFAOYSA-N 0 3 309.413 3.464 20 30 DGEDHN Cn1cc(CNC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000191118770 432223928 /nfs/dbraw/zinc/22/39/28/432223928.db2.gz ILEPVDXGEUZKGP-OAHLLOKOSA-N 0 3 324.211 3.027 20 30 DGEDHN Cn1cc(CNC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000191118758 432223988 /nfs/dbraw/zinc/22/39/88/432223988.db2.gz ILEPVDXGEUZKGP-HNNXBMFYSA-N 0 3 324.211 3.027 20 30 DGEDHN Cc1ccc(NCc2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000133958585 196349571 /nfs/dbraw/zinc/34/95/71/196349571.db2.gz OOXRABYTHJHGII-UHFFFAOYSA-N 0 3 309.413 3.419 20 30 DGEDHN Cc1cc(C)c(NC(=O)CNCC(C)(C)CCC#N)c(C)c1 ZINC000174239526 228288515 /nfs/dbraw/zinc/28/85/15/228288515.db2.gz RXTLBDANWGDYBI-UHFFFAOYSA-N 0 3 301.434 3.470 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000185856957 228399851 /nfs/dbraw/zinc/39/98/51/228399851.db2.gz KVWQBJMRMAJJIC-PWSUYJOCSA-N 0 3 324.327 3.189 20 30 DGEDHN Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCCN2CCO)cc1C ZINC000331303633 229028086 /nfs/dbraw/zinc/02/80/86/229028086.db2.gz FONPKGMYAYTIDU-AWEZNQCLSA-N 0 3 324.852 3.108 20 30 DGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000341201747 229094934 /nfs/dbraw/zinc/09/49/34/229094934.db2.gz MKNVLRSLWNFEHH-XJKSGUPXSA-N 0 3 314.433 3.092 20 30 DGEDHN N#CCc1ccc(CN2CCN(CCc3ccccc3)CC2)cc1 ZINC000342766875 229117571 /nfs/dbraw/zinc/11/75/71/229117571.db2.gz YILAXIZATQIPKZ-UHFFFAOYSA-N 0 3 319.452 3.113 20 30 DGEDHN N#CC(C(=O)c1ccc(Cl)c2ncccc12)c1ccncn1 ZINC000338648330 229067438 /nfs/dbraw/zinc/06/74/38/229067438.db2.gz RXJQJOYGRLNGIA-GFCCVEGCSA-N 0 3 308.728 3.168 20 30 DGEDHN N#CCCCOc1cccc(CNC[C@H]2Cc3ccccc3O2)c1 ZINC000338954465 229071999 /nfs/dbraw/zinc/07/19/99/229071999.db2.gz ZNOQHLZIUVXEON-LJQANCHMSA-N 0 3 322.408 3.462 20 30 DGEDHN C[C@@H](NCCOCCC#N)c1ccc(F)c(Br)c1 ZINC000339474500 229080508 /nfs/dbraw/zinc/08/05/08/229080508.db2.gz ZUPJCBHNJLJWPT-SNVBAGLBSA-N 0 3 315.186 3.169 20 30 DGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ccc(F)cc3c2)nc(C)n1 ZINC000340186663 229086891 /nfs/dbraw/zinc/08/68/91/229086891.db2.gz UBEVMWOXGYBTEA-OAHLLOKOSA-N 0 3 320.327 3.271 20 30 DGEDHN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000344550665 229138154 /nfs/dbraw/zinc/13/81/54/229138154.db2.gz KOPUQZCAAACNTJ-GFCCVEGCSA-N 0 3 324.271 3.100 20 30 DGEDHN CC(C#N)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000345792439 229158015 /nfs/dbraw/zinc/15/80/15/229158015.db2.gz UVNCVRBBXJLFNW-SECBINFHSA-N 0 3 301.173 3.038 20 30 DGEDHN Cc1nc(CCNCc2cccc(OCCCC#N)c2)c(C)o1 ZINC000346821433 229176400 /nfs/dbraw/zinc/17/64/00/229176400.db2.gz INDJQMYIRAZUBA-UHFFFAOYSA-N 0 3 313.401 3.306 20 30 DGEDHN CC(C#N)C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000347042947 229180849 /nfs/dbraw/zinc/18/08/49/229180849.db2.gz VZXUSSSWWNGPIB-SNVBAGLBSA-N 0 3 307.191 3.104 20 30 DGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CN(C)C ZINC000349368405 229212129 /nfs/dbraw/zinc/21/21/29/229212129.db2.gz JMRQWXCFMRQQPP-CHWSQXEVSA-N 0 3 320.462 3.010 20 30 DGEDHN Cc1cc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)s1 ZINC000347547972 229189153 /nfs/dbraw/zinc/18/91/53/229189153.db2.gz BVLPPWAHELYTDF-AHIWAGSCSA-N 0 3 321.490 3.459 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2Cl)cc1 ZINC000347966806 229194788 /nfs/dbraw/zinc/19/47/88/229194788.db2.gz ZBUBXVIWWFFKEM-MRXNPFEDSA-N 0 3 323.783 3.210 20 30 DGEDHN Cc1cccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000348086110 229198616 /nfs/dbraw/zinc/19/86/16/229198616.db2.gz NDMOITWLLKOEFI-LJQANCHMSA-N 0 3 317.392 3.208 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC(C)(C)CC1 ZINC000357814500 229353142 /nfs/dbraw/zinc/35/31/42/229353142.db2.gz XLZBJBGPLIXQBA-OAHLLOKOSA-N 0 3 305.466 3.230 20 30 DGEDHN Cc1cccc(CCCNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000359130791 229372461 /nfs/dbraw/zinc/37/24/61/229372461.db2.gz HZXZMGBVCSAWCV-SFHVURJKSA-N 0 3 321.424 3.211 20 30 DGEDHN CN(C)C(=O)C1(NCCC2(C#N)CCCCC2)CCCCC1 ZINC000411790234 229833670 /nfs/dbraw/zinc/83/36/70/229833670.db2.gz OXBZOKIOKQLRQF-UHFFFAOYSA-N 0 3 305.466 3.231 20 30 DGEDHN COc1ccc([C@H](OC)[C@H](C)NCc2cc(C#N)cs2)cc1 ZINC000357356806 269791072 /nfs/dbraw/zinc/79/10/72/269791072.db2.gz QFAXEWBUENLKLD-YVEFUNNKSA-N 0 3 316.426 3.494 20 30 DGEDHN CCC[C@@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000346275431 264001064 /nfs/dbraw/zinc/00/10/64/264001064.db2.gz KAPSBJRHFYGZMI-MRXNPFEDSA-N 0 3 315.461 3.275 20 30 DGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000346373569 264019918 /nfs/dbraw/zinc/01/99/18/264019918.db2.gz ALYRCGWTXUIEOH-UHFFFAOYSA-N 0 3 311.360 3.320 20 30 DGEDHN CN(C)CCN(Cc1cccs1)c1ncc(C#N)cc1Cl ZINC000347055930 264149171 /nfs/dbraw/zinc/14/91/71/264149171.db2.gz PUMROBXSZIGPFQ-UHFFFAOYSA-N 0 3 320.849 3.236 20 30 DGEDHN COC(=O)C[C@@H](NCc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000347971485 264316679 /nfs/dbraw/zinc/31/66/79/264316679.db2.gz XHBJEMIKIJLEEI-QGZVFWFLSA-N 0 3 318.392 3.299 20 30 DGEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)C1CCCCC1 ZINC000533777936 270004982 /nfs/dbraw/zinc/00/49/82/270004982.db2.gz QQNGNSLQPDHMAL-UHFFFAOYSA-N 0 3 300.402 3.499 20 30 DGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C2CC2)C1 ZINC000534278170 270005184 /nfs/dbraw/zinc/00/51/84/270005184.db2.gz BGPUDPVWRWTPDC-RISCZKNCSA-N 0 3 317.820 3.271 20 30 DGEDHN CC[C@@]1(C)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000352544482 265084838 /nfs/dbraw/zinc/08/48/38/265084838.db2.gz BBKZPDFBGCBOII-MJGOQNOKSA-N 0 3 311.429 3.176 20 30 DGEDHN C[C@H]1CSC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000352818842 265180835 /nfs/dbraw/zinc/18/08/35/265180835.db2.gz VBIQLRGPMIVENQ-ZANVPECISA-N 0 3 311.248 3.162 20 30 DGEDHN CC(=O)Nc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353261235 265365684 /nfs/dbraw/zinc/36/56/84/265365684.db2.gz CUSMZHBELDUYHW-LJQANCHMSA-N 0 3 305.381 3.294 20 30 DGEDHN CCN(CCC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000355041099 266122956 /nfs/dbraw/zinc/12/29/56/266122956.db2.gz VBSPDSLPTSTJQY-GOSISDBHSA-N 0 3 311.429 3.176 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)CCOc2cccc(C#N)c2)C1(C)C ZINC000354368898 266291697 /nfs/dbraw/zinc/29/16/97/266291697.db2.gz QHNHXXBUKHVRDI-IAGOWNOFSA-N 0 3 302.418 3.072 20 30 DGEDHN N#Cc1csc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000356372725 266372797 /nfs/dbraw/zinc/37/27/97/266372797.db2.gz UYFXFTLVMNETGB-MRXNPFEDSA-N 0 3 309.438 3.257 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000354115129 266962581 /nfs/dbraw/zinc/96/25/81/266962581.db2.gz BHUSUECUUTYYEB-OAHLLOKOSA-N 0 3 321.424 3.417 20 30 DGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000373912927 267000662 /nfs/dbraw/zinc/00/06/62/267000662.db2.gz PVSWLONUNVJEFO-HNAYVOBHSA-N 0 3 307.397 3.305 20 30 DGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCOc2cccc(C#N)c2)C1 ZINC000359868193 267084310 /nfs/dbraw/zinc/08/43/10/267084310.db2.gz HIIFVWWGWXSDTI-BEFAXECRSA-N 0 3 307.397 3.415 20 30 DGEDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(C#N)ccc1Cl ZINC000354882785 267155386 /nfs/dbraw/zinc/15/53/86/267155386.db2.gz SVFFWHIAYLNDES-CYBMUJFWSA-N 0 3 319.836 3.206 20 30 DGEDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C#N)cn1 ZINC000399609367 267301911 /nfs/dbraw/zinc/30/19/11/267301911.db2.gz XRMNCQLBUWUHDO-QFBILLFUSA-N 0 3 320.440 3.149 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCCCCC2)cc1 ZINC000279546356 268090001 /nfs/dbraw/zinc/09/00/01/268090001.db2.gz WDDPJJWUYCHAGF-QGZVFWFLSA-N 0 3 309.413 3.470 20 30 DGEDHN N#Cc1cccc(NC(=O)CCN2CCC=C(c3ccco3)C2)c1 ZINC000352543776 268264820 /nfs/dbraw/zinc/26/48/20/268264820.db2.gz JOYPIBILWVIUOF-UHFFFAOYSA-N 0 3 321.380 3.269 20 30 DGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccccc1 ZINC000528336823 268296463 /nfs/dbraw/zinc/29/64/63/268296463.db2.gz ISADXYUXXACOAT-OALUTQOASA-N 0 3 322.408 3.135 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](CC)N(CC)CC ZINC000359856651 269654036 /nfs/dbraw/zinc/65/40/36/269654036.db2.gz KPQXLJSRKVQEEC-QGZVFWFLSA-N 0 3 316.449 3.439 20 30 DGEDHN CCc1csc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191302031 432247348 /nfs/dbraw/zinc/24/73/48/432247348.db2.gz GJWWLPYXYXDNGN-AWEZNQCLSA-N 0 3 314.458 3.295 20 30 DGEDHN C=CCC[C@H](O)CN(CCc1ccccc1)Cc1cccnc1 ZINC000191349379 432254163 /nfs/dbraw/zinc/25/41/63/432254163.db2.gz RDISVQXURSKKLZ-FQEVSTJZSA-N 0 3 310.441 3.453 20 30 DGEDHN C[C@@H](N[C@@H](C)CC(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000268820259 274254582 /nfs/dbraw/zinc/25/45/82/274254582.db2.gz RPMITDVNMHTFHK-JKSUJKDBSA-N 0 3 313.445 3.390 20 30 DGEDHN Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C)N(C)[C@H](C)C3)c2c1 ZINC000338794348 274688556 /nfs/dbraw/zinc/68/85/56/274688556.db2.gz LPCBQVKCGCMYCB-HUUCEWRRSA-N 0 3 308.429 3.252 20 30 DGEDHN CCN1CCN(c2cccc(Nc3ccc(C#N)c(C)n3)c2)CC1 ZINC000487746243 429167776 /nfs/dbraw/zinc/16/77/76/429167776.db2.gz BEJQVIBUCSNGKR-UHFFFAOYSA-N 0 3 321.428 3.147 20 30 DGEDHN Cc1ccc([C@H](CNc2ccc(C#N)c(C)n2)N2CCCC2)o1 ZINC000488066959 429176355 /nfs/dbraw/zinc/17/63/55/429176355.db2.gz IEHSTONFSGSZAX-INIZCTEOSA-N 0 3 310.401 3.412 20 30 DGEDHN C=C(C)CCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000451211559 275415810 /nfs/dbraw/zinc/41/58/10/275415810.db2.gz WBCHOSXAFHFOFS-UHFFFAOYSA-N 0 3 307.869 3.148 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287974354 275425102 /nfs/dbraw/zinc/42/51/02/275425102.db2.gz JVDZZYGJNUXRRL-DOTOQJQBSA-N 0 3 301.434 3.061 20 30 DGEDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc(C#N)c(N)n2)CC1 ZINC000519608066 429469574 /nfs/dbraw/zinc/46/95/74/429469574.db2.gz HNAGRZHGXVKZKV-CQSZACIVSA-N 0 3 321.428 3.173 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Cl)ccn1)C(C)C ZINC000344782501 275744378 /nfs/dbraw/zinc/74/43/78/275744378.db2.gz GHNPVLWIIZLZCS-MRXNPFEDSA-N 0 3 321.852 3.163 20 30 DGEDHN CC(C)[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000487147941 276000124 /nfs/dbraw/zinc/00/01/24/276000124.db2.gz KELBZMNEPUXZBY-HNNXBMFYSA-N 0 3 311.351 3.353 20 30 DGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191938275 276255570 /nfs/dbraw/zinc/25/55/70/276255570.db2.gz AAADXSATQDDKNA-QGZVFWFLSA-N 0 3 312.413 3.256 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2OC)C1(C)C ZINC000438059585 276343645 /nfs/dbraw/zinc/34/36/45/276343645.db2.gz FCCFKIRXQACIBY-IAGOWNOFSA-N 0 3 302.418 3.202 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)C(C)C ZINC000470869090 429711328 /nfs/dbraw/zinc/71/13/28/429711328.db2.gz WORFIKQRKZHCLD-HNNXBMFYSA-N 0 3 318.421 3.409 20 30 DGEDHN CC(C)(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424083303 277251415 /nfs/dbraw/zinc/25/14/15/277251415.db2.gz CUDXSNWVGIJIKQ-LSDHHAIUSA-N 0 3 305.397 3.050 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H](OC)C1)C(C)C ZINC000340301234 277852028 /nfs/dbraw/zinc/85/20/28/277852028.db2.gz KEEUFVJJSJRTED-FGTMMUONSA-N 0 3 322.493 3.006 20 30 DGEDHN C[C@H](CCC#N)CNc1cc(N(C)C)c(Br)cn1 ZINC000602683244 430543372 /nfs/dbraw/zinc/54/33/72/430543372.db2.gz UKMUKMGZRUDSTF-SNVBAGLBSA-N 0 3 311.227 3.262 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCCCC1 ZINC000330637832 278148858 /nfs/dbraw/zinc/14/88/58/278148858.db2.gz GGPFELCZQLJROX-OAHLLOKOSA-N 0 3 305.466 3.230 20 30 DGEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N(C)Cc1ccccc1 ZINC000110353665 278269062 /nfs/dbraw/zinc/26/90/62/278269062.db2.gz UIKUOVDIZONFNJ-INIZCTEOSA-N 0 3 313.445 3.097 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)cc1 ZINC000171646693 278391291 /nfs/dbraw/zinc/39/12/91/278391291.db2.gz AMHYXJYXCOAKIA-MRXNPFEDSA-N 0 3 315.417 3.047 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C2CCCC2)C1 ZINC000333631360 279219397 /nfs/dbraw/zinc/21/93/97/279219397.db2.gz AXXFIVWGFWBJOQ-NVXWUHKLSA-N 0 3 317.477 3.230 20 30 DGEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000068707227 431139456 /nfs/dbraw/zinc/13/94/56/431139456.db2.gz LEMHZWSAKDFNSM-CQSZACIVSA-N 0 3 321.380 3.366 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccccc2F)CC1 ZINC000108995301 431165508 /nfs/dbraw/zinc/16/55/08/431165508.db2.gz PKXVJYPUOXUUIN-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN N#CCCCOc1cccc(CNC[C@@H](O)C2CCCCC2)c1 ZINC000069170504 431166958 /nfs/dbraw/zinc/16/69/58/431166958.db2.gz BXZWIUNUIIFPTH-LJQANCHMSA-N 0 3 316.445 3.400 20 30 DGEDHN COc1cccc(/C=N/C[C@@H](C)N(C)Cc2ccccc2)c1O ZINC000110129385 431187009 /nfs/dbraw/zinc/18/70/09/431187009.db2.gz WCROAKGGSZIPNU-OOWUWCJESA-N 0 3 312.413 3.340 20 30 DGEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000111254773 431204709 /nfs/dbraw/zinc/20/47/09/431204709.db2.gz FNPHSQHIVOVNHA-NEPJUHHUSA-N 0 3 319.474 3.413 20 30 DGEDHN CCCCNC(=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000069681271 431212972 /nfs/dbraw/zinc/21/29/72/431212972.db2.gz JVNUHQHORCNFRY-UHFFFAOYSA-N 0 3 321.424 3.378 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000113396134 431346021 /nfs/dbraw/zinc/34/60/21/431346021.db2.gz HZVYCAFOFLLWRF-ZMSDIMECSA-N 0 3 307.482 3.151 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1ccc(C)s1 ZINC000114732740 431410612 /nfs/dbraw/zinc/41/06/12/431410612.db2.gz KYZVHXHZMWGRPO-OAHLLOKOSA-N 0 3 304.459 3.394 20 30 DGEDHN N#CCSCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000074980913 431444070 /nfs/dbraw/zinc/44/40/70/431444070.db2.gz JXPZCPNHRVGFOJ-UHFFFAOYSA-N 0 3 302.443 3.228 20 30 DGEDHN CC(C)Oc1ccc([C@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000116372929 431508265 /nfs/dbraw/zinc/50/82/65/431508265.db2.gz NITOPQNHZJYWJW-LJQANCHMSA-N 0 3 310.397 3.169 20 30 DGEDHN C=CC[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000116944655 431540857 /nfs/dbraw/zinc/54/08/57/431540857.db2.gz 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/nfs/dbraw/zinc/75/81/70/431758170.db2.gz MINRIVXJLAXCLN-UHFFFAOYSA-N 0 3 313.445 3.017 20 30 DGEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000079324909 431723063 /nfs/dbraw/zinc/72/30/63/431723063.db2.gz KKOJDVRIJDPOCX-JKSUJKDBSA-N 0 3 313.445 3.377 20 30 DGEDHN CCCCNC(=O)C1(NCc2ccc(C#N)cc2)CCCCC1 ZINC000085906671 431842786 /nfs/dbraw/zinc/84/27/86/431842786.db2.gz OZTGDQUSKIWOFQ-UHFFFAOYSA-N 0 3 313.445 3.267 20 30 DGEDHN CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000122233763 431821986 /nfs/dbraw/zinc/82/19/86/431821986.db2.gz ZSDCNUDADIPLNO-BBRMVZONSA-N 0 3 321.852 3.389 20 30 DGEDHN COC[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000093337620 431914097 /nfs/dbraw/zinc/91/40/97/431914097.db2.gz WIVZYACORWEXRO-QGZVFWFLSA-N 0 3 302.418 3.228 20 30 DGEDHN C=C(C)COc1cc(CN(C)CC2(O)CCCC2)ccc1OC ZINC000093503267 431915597 /nfs/dbraw/zinc/91/55/97/431915597.db2.gz OJCCKGFGTQANEO-UHFFFAOYSA-N 0 3 319.445 3.387 20 30 DGEDHN C=CCOc1ccc(CN2CC[C@H](COCC)C2)cc1OC ZINC000093839081 431916805 /nfs/dbraw/zinc/91/68/05/431916805.db2.gz KFQFJCIXVPEUQY-INIZCTEOSA-N 0 3 305.418 3.118 20 30 DGEDHN COc1ccc(N2CCN(CC(C)(C)CCC#N)CC2)cc1F ZINC000091923744 431906363 /nfs/dbraw/zinc/90/63/63/431906363.db2.gz HCAYMFBCDQDEER-UHFFFAOYSA-N 0 3 319.424 3.286 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000127661326 431977822 /nfs/dbraw/zinc/97/78/22/431977822.db2.gz VQDAQCQAWAHPBT-KBPBESRZSA-N 0 3 319.474 3.071 20 30 DGEDHN CC(C)NC(=O)Nc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000048784981 431932153 /nfs/dbraw/zinc/93/21/53/431932153.db2.gz LCHZPVIYSJFBFB-UHFFFAOYSA-N 0 3 322.412 3.378 20 30 DGEDHN CC(=O)Nc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000125891713 431938167 /nfs/dbraw/zinc/93/81/67/431938167.db2.gz NOEBZTRBJVOHAX-UHFFFAOYSA-N 0 3 319.408 3.359 20 30 DGEDHN Cc1cc(CNCCN(C)Cc2ccc(F)cc2)ccc1C#N ZINC000443991921 533691787 /nfs/dbraw/zinc/69/17/87/533691787.db2.gz XMNPKLQYHUUYTO-UHFFFAOYSA-N 0 3 311.404 3.227 20 30 DGEDHN Cc1ccc([C@H](CNCc2cccc(C#N)c2)N2CCCC2)o1 ZINC000101599831 431986356 /nfs/dbraw/zinc/98/63/56/431986356.db2.gz ZCUQROBLDYIOPH-SFHVURJKSA-N 0 3 309.413 3.386 20 30 DGEDHN COc1cccc(CN(CCCCC#N)C[C@H]2CCCO2)c1 ZINC000102398120 431993421 /nfs/dbraw/zinc/99/34/21/431993421.db2.gz QIWPIFJAWLGHOZ-GOSISDBHSA-N 0 3 302.418 3.370 20 30 DGEDHN C=CCCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000102357816 431992692 /nfs/dbraw/zinc/99/26/92/431992692.db2.gz TYJSYPVVYGDMIS-UHFFFAOYSA-N 0 3 300.446 3.120 20 30 DGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000128659468 431998311 /nfs/dbraw/zinc/99/83/11/431998311.db2.gz GXLAPFDJBJDGFJ-UHFFFAOYSA-N 0 3 308.385 3.043 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000248777777 432318136 /nfs/dbraw/zinc/31/81/36/432318136.db2.gz HSHVCINCJWNZTN-XNRPHZJLSA-N 0 3 317.820 3.117 20 30 DGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(O[C@@H]2CCOC2)c1 ZINC000248937960 432329719 /nfs/dbraw/zinc/32/97/19/432329719.db2.gz YMGJIIUCYATJGM-KBAYOESNSA-N 0 3 314.429 3.335 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)C[C@H](C)c1nccs1 ZINC000183923280 432335609 /nfs/dbraw/zinc/33/56/09/432335609.db2.gz IUGAZUDORCOCNB-LBPRGKRZSA-N 0 3 301.415 3.259 20 30 DGEDHN C=CCN1CCC(NC(=O)NCCC2=CCCCCC2)CC1 ZINC000183950796 432339205 /nfs/dbraw/zinc/33/92/05/432339205.db2.gz HXNWHQCXDKMSST-UHFFFAOYSA-N 0 3 305.466 3.217 20 30 DGEDHN C[C@@H](CN(C)CCOc1cccc(C#N)c1)c1nccs1 ZINC000183972192 432340140 /nfs/dbraw/zinc/34/01/40/432340140.db2.gz RBGFGNPCTODTQF-ZDUSSCGKSA-N 0 3 301.415 3.129 20 30 DGEDHN CC[C@@H]1CN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000184005963 432344262 /nfs/dbraw/zinc/34/42/62/432344262.db2.gz QDUQHGREUNSYTG-GOSISDBHSA-N 0 3 306.413 3.054 20 30 DGEDHN C=CCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000249580119 432350967 /nfs/dbraw/zinc/35/09/67/432350967.db2.gz NBQGYIBIKSVJBF-FUHWJXTLSA-N 0 3 312.457 3.370 20 30 DGEDHN N#Cc1cccc(CNCCNc2ccc3ccccc3n2)c1 ZINC000152761787 432354006 /nfs/dbraw/zinc/35/40/06/432354006.db2.gz MVDIDUGMXGFHAQ-UHFFFAOYSA-N 0 3 302.381 3.308 20 30 DGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N(CC)CC ZINC000270992080 432312885 /nfs/dbraw/zinc/31/28/85/432312885.db2.gz HZSHTLRFEMBHFI-LSDHHAIUSA-N 0 3 307.825 3.141 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000152978191 432373231 /nfs/dbraw/zinc/37/32/31/432373231.db2.gz VVCBOWQLMGTNBC-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCOc1cccc(CNC[C@@](C)(O)c2cccs2)c1 ZINC000153041654 432379163 /nfs/dbraw/zinc/37/91/63/432379163.db2.gz ZEIZHLRQVFBMPM-QGZVFWFLSA-N 0 3 303.427 3.310 20 30 DGEDHN N#Cc1ccc(CNCCc2ccccc2OC(F)(F)F)o1 ZINC000153114406 432385403 /nfs/dbraw/zinc/38/54/03/432385403.db2.gz YBBQBYGLHUTQGZ-UHFFFAOYSA-N 0 3 310.275 3.382 20 30 DGEDHN CC(C)N(C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192681075 432400035 /nfs/dbraw/zinc/40/00/35/432400035.db2.gz RYDXKPOAUKPPEQ-SFHVURJKSA-N 0 3 311.429 3.317 20 30 DGEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000271486668 432405891 /nfs/dbraw/zinc/40/58/91/432405891.db2.gz IVHDUBDACKCOIR-KUHUBIRLSA-N 0 3 310.397 3.433 20 30 DGEDHN C[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271910373 432428889 /nfs/dbraw/zinc/42/88/89/432428889.db2.gz XUHOWQOVYRKUHU-NEPJUHHUSA-N 0 3 316.323 3.207 20 30 DGEDHN COc1cc(OC)cc(OCCCN(C)CCC(C)(C)C#N)c1 ZINC000272012519 432433256 /nfs/dbraw/zinc/43/32/56/432433256.db2.gz KTHNGNOSGYMBLX-UHFFFAOYSA-N 0 3 320.433 3.344 20 30 DGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(Br)cc2)C1 ZINC000192976852 432435219 /nfs/dbraw/zinc/43/52/19/432435219.db2.gz ODYIYUCSDCWFLI-TZMCWYRMSA-N 0 3 323.234 3.500 20 30 DGEDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1cccc(C#N)c1 ZINC000193025015 432440412 /nfs/dbraw/zinc/44/04/12/432440412.db2.gz HVAPIQGOQUEZQJ-QWHCGFSZSA-N 0 3 308.385 3.461 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000193070670 432445063 /nfs/dbraw/zinc/44/50/63/432445063.db2.gz IXJQOESQKFWJHQ-LPOXYFBYSA-N 0 3 306.356 3.467 20 30 DGEDHN C[C@H](CO)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193077608 432446227 /nfs/dbraw/zinc/44/62/27/432446227.db2.gz QVCPJRIILCWLRD-QGZVFWFLSA-N 0 3 308.425 3.199 20 30 DGEDHN C=CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000271530557 432416056 /nfs/dbraw/zinc/41/60/56/432416056.db2.gz XFAMXMJYQYOQOO-HNNXBMFYSA-N 0 3 319.474 3.245 20 30 DGEDHN N#C[C@H]1CCC[C@@H](NC[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000192812864 432419517 /nfs/dbraw/zinc/41/95/17/432419517.db2.gz NXMVYBOIUHRNAV-CFVMTHIKSA-N 0 3 312.335 3.108 20 30 DGEDHN CC1(C)CC[C@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1 ZINC000184667342 432419805 /nfs/dbraw/zinc/41/98/05/432419805.db2.gz WUXBAZTZMAFROU-GOSISDBHSA-N 0 3 314.429 3.359 20 30 DGEDHN Cc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271805486 432424967 /nfs/dbraw/zinc/42/49/67/432424967.db2.gz LEHSIXQAFSPFSC-HNAYVOBHSA-N 0 3 310.397 3.282 20 30 DGEDHN CCc1noc(CC)c1CNC(=N)Nc1cc(F)ccc1F ZINC000262334917 432482978 /nfs/dbraw/zinc/48/29/78/432482978.db2.gz ZATTWIWWCVLMRK-UHFFFAOYSA-N 0 3 308.332 3.004 20 30 DGEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000185381993 432495869 /nfs/dbraw/zinc/49/58/69/432495869.db2.gz FBPAVXQDYYNLAM-LBPRGKRZSA-N 0 3 302.805 3.446 20 30 DGEDHN CCCc1nc(C)c(CNC(=N)Nc2cc(F)ccc2F)o1 ZINC000262691219 432497522 /nfs/dbraw/zinc/49/75/22/432497522.db2.gz GGZXXYLMODENEQ-UHFFFAOYSA-N 0 3 308.332 3.141 20 30 DGEDHN N#Cc1cc2c(nc1NCc1ccc3c(c1)CNC3)CCCC2 ZINC000261964673 432466047 /nfs/dbraw/zinc/46/60/47/432466047.db2.gz YEKJQMPEHUSQII-UHFFFAOYSA-N 0 3 304.397 3.047 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)s1 ZINC000185120959 432469346 /nfs/dbraw/zinc/46/93/46/432469346.db2.gz RWFVXLFLWNKIOA-KDOFPFPSSA-N 0 3 311.454 3.230 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@H](C)CC2CCCCC2)CC1 ZINC000194428186 432551172 /nfs/dbraw/zinc/55/11/72/432551172.db2.gz ALBAXHVEXVSYOK-OAHLLOKOSA-N 0 3 307.482 3.295 20 30 DGEDHN CC(C)(C)OC(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194538187 432557762 /nfs/dbraw/zinc/55/77/62/432557762.db2.gz RMAOUJOXWDYEOT-UHFFFAOYSA-N 0 3 300.402 3.254 20 30 DGEDHN CC(C)(C#N)CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000272931834 432536324 /nfs/dbraw/zinc/53/63/24/432536324.db2.gz KASCSAQLILDTTL-GFCCVEGCSA-N 0 3 314.355 3.479 20 30 DGEDHN COCCCOc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185865771 432539315 /nfs/dbraw/zinc/53/93/15/432539315.db2.gz OIYUCCHLENQSEQ-WBVHZDCISA-N 0 3 302.418 3.274 20 30 DGEDHN COC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177284877 432606768 /nfs/dbraw/zinc/60/67/68/432606768.db2.gz RCTCRGXLQSPHEM-HNNXBMFYSA-N 0 3 311.347 3.415 20 30 DGEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)c1cccc(F)c1 ZINC000176940559 432567606 /nfs/dbraw/zinc/56/76/06/432567606.db2.gz XFBRMGMVOJRAOT-MRXNPFEDSA-N 0 3 303.406 3.151 20 30 DGEDHN CCN1CCN(c2cccc(N[C@H]3CCC[C@@H](C#N)C3)c2)CC1 ZINC000194716298 432570167 /nfs/dbraw/zinc/57/01/67/432570167.db2.gz GVZQRYIHYYEDPP-SJORKVTESA-N 0 3 312.461 3.323 20 30 DGEDHN COc1ccc([C@H](CO)N(C)Cc2ccc(C#N)cc2C)cc1 ZINC000186230484 432570770 /nfs/dbraw/zinc/57/07/70/432570770.db2.gz UNCHCPNCBBCHOJ-IBGZPJMESA-N 0 3 310.397 3.041 20 30 DGEDHN CN1CCC(CC(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000273275870 432577325 /nfs/dbraw/zinc/57/73/25/432577325.db2.gz VTPWMMLERVOQOC-UHFFFAOYSA-N 0 3 315.417 3.040 20 30 DGEDHN C=CCCCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186297303 432578899 /nfs/dbraw/zinc/57/88/99/432578899.db2.gz ARDKNSIRXKAPEE-SFHVURJKSA-N 0 3 300.446 3.466 20 30 DGEDHN C=C(C)CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000156365162 432594285 /nfs/dbraw/zinc/59/42/85/432594285.db2.gz HWMRAWWICFEWEF-QGZVFWFLSA-N 0 3 301.434 3.007 20 30 DGEDHN Cc1cc(C)c(C#N)c(N2CCN(CC3CCCCC3)CC2)n1 ZINC000195719983 432634622 /nfs/dbraw/zinc/63/46/22/432634622.db2.gz YABXOTHCMQBZCV-UHFFFAOYSA-N 0 3 312.461 3.272 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000264348700 432638656 /nfs/dbraw/zinc/63/86/56/432638656.db2.gz CKBMGUJQBVKWKP-UHFFFAOYSA-N 0 3 309.360 3.127 20 30 DGEDHN N#Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000274214297 432639450 /nfs/dbraw/zinc/63/94/50/432639450.db2.gz LXGRIZHDNAVDED-QGZVFWFLSA-N 0 3 322.368 3.153 20 30 DGEDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccsc1 ZINC000274255162 432644596 /nfs/dbraw/zinc/64/45/96/432644596.db2.gz YPVHVBXLTWKKCE-HNNXBMFYSA-N 0 3 316.386 3.243 20 30 DGEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1cccc(F)c1 ZINC000177680082 432648797 /nfs/dbraw/zinc/64/87/97/432648797.db2.gz JYHOVPRRIRJFBH-INIZCTEOSA-N 0 3 303.406 3.151 20 30 DGEDHN N#Cc1csc(CNCCc2cnn(-c3ccccc3)c2)c1 ZINC000177684072 432649558 /nfs/dbraw/zinc/64/95/58/432649558.db2.gz CXZQOOVMXVYZPP-UHFFFAOYSA-N 0 3 308.410 3.138 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cccc3cccnc32)CC1 ZINC000264468837 432649785 /nfs/dbraw/zinc/64/97/85/432649785.db2.gz IJNJWOXWBCFNOU-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000217223197 432654323 /nfs/dbraw/zinc/65/43/23/432654323.db2.gz ZTYMQVRHVUUFHB-CRAIPNDOSA-N 0 3 307.482 3.189 20 30 DGEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274344022 432654684 /nfs/dbraw/zinc/65/46/84/432654684.db2.gz NEZRKZCFDISIMZ-PKOBYXMFSA-N 0 3 312.457 3.207 20 30 DGEDHN C#CCCCCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000187295744 432656190 /nfs/dbraw/zinc/65/61/90/432656190.db2.gz KTJPJGZUEZBOIY-UHFFFAOYSA-N 0 3 313.850 3.027 20 30 DGEDHN COc1cc(C#N)ccc1CN(C)CC1(O)CCCCCC1 ZINC000187327706 432657714 /nfs/dbraw/zinc/65/77/14/432657714.db2.gz GGGLKXMQVSEJMY-UHFFFAOYSA-N 0 3 302.418 3.084 20 30 DGEDHN N#CCOc1ccc(CN2CCCN(c3ccccc3)CC2)cc1 ZINC000264556705 432658913 /nfs/dbraw/zinc/65/89/13/432658913.db2.gz NBPRZWRJNRCKBV-UHFFFAOYSA-N 0 3 321.424 3.301 20 30 DGEDHN COc1ccc(CN(C)CC2(O)CCCCCC2)cc1C#N ZINC000187346529 432659043 /nfs/dbraw/zinc/65/90/43/432659043.db2.gz WRAGXZARKPSHND-UHFFFAOYSA-N 0 3 302.418 3.084 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000274391163 432660782 /nfs/dbraw/zinc/66/07/82/432660782.db2.gz CGJGQKCPTGABGE-AUUYWEPGSA-N 0 3 311.404 3.478 20 30 DGEDHN C#CCOc1ccccc1CNCc1cc(OCC)ccc1O ZINC000265110258 432667147 /nfs/dbraw/zinc/66/71/47/432667147.db2.gz BDFZLDKXLMJUPF-UHFFFAOYSA-N 0 3 311.381 3.093 20 30 DGEDHN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1ccccn1 ZINC000159752450 432695925 /nfs/dbraw/zinc/69/59/25/432695925.db2.gz KFAVBAVCTZPIPQ-HNNXBMFYSA-N 0 3 300.321 3.029 20 30 DGEDHN COc1ccc(C#N)cc1CN(C[C@H](C)O)C1CCCCC1 ZINC000159868850 432700127 /nfs/dbraw/zinc/70/01/27/432700127.db2.gz MPBZMZZPEIBMBN-AWEZNQCLSA-N 0 3 302.418 3.082 20 30 DGEDHN CC(C)[C@@H](CNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000226266350 432704005 /nfs/dbraw/zinc/70/40/05/432704005.db2.gz SOCXMTWGZLGJTE-CQSZACIVSA-N 0 3 323.462 3.259 20 30 DGEDHN CCCO[C@H]1CCCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000160110843 432705985 /nfs/dbraw/zinc/70/59/85/432705985.db2.gz PFAOYPDFONCSLQ-KRWDZBQOSA-N 0 3 302.418 3.348 20 30 DGEDHN C=CCN1CCC(NC(=O)C(C)(C)Cc2ccccc2)CC1 ZINC000265538979 432707658 /nfs/dbraw/zinc/70/76/58/432707658.db2.gz HEMZKRVBWRWVST-UHFFFAOYSA-N 0 3 300.446 3.022 20 30 DGEDHN C=C1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000274934077 432720613 /nfs/dbraw/zinc/72/06/13/432720613.db2.gz MBFFITRTEFRZAO-UHFFFAOYSA-N 0 3 312.457 3.467 20 30 DGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](N2CCCCC2)C1 ZINC000265241541 432680189 /nfs/dbraw/zinc/68/01/89/432680189.db2.gz OUOUHXYKPCTGRF-CYBMUJFWSA-N 0 3 324.350 3.037 20 30 DGEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccc(F)cc2F)CC1 ZINC000178540794 432751019 /nfs/dbraw/zinc/75/10/19/432751019.db2.gz SPAUUJJSJBQXNQ-ZDUSSCGKSA-N 0 3 322.399 3.225 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)c(C(F)(F)F)c1 ZINC000266231423 432755341 /nfs/dbraw/zinc/75/53/41/432755341.db2.gz JSLLOLFCEPQBLX-CYBMUJFWSA-N 0 3 307.319 3.028 20 30 DGEDHN C=CCC[C@@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000189093570 432763690 /nfs/dbraw/zinc/76/36/90/432763690.db2.gz RKWKVFBVZLICLC-RBUKOAKNSA-N 0 3 312.457 3.433 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267272752 432828099 /nfs/dbraw/zinc/82/80/99/432828099.db2.gz ARPVBFSWPFQMDA-AEFFLSMTSA-N 0 3 300.446 3.370 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H](C)[C@H](C)C1 ZINC000267614949 432835819 /nfs/dbraw/zinc/83/58/19/432835819.db2.gz CCLZACHWKQYWGV-QLFBSQMISA-N 0 3 317.408 3.049 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000276262869 432790147 /nfs/dbraw/zinc/79/01/47/432790147.db2.gz BLWYHZNRFCDLAG-ZDUSSCGKSA-N 0 3 303.381 3.168 20 30 DGEDHN C=CCCN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000276326463 432795647 /nfs/dbraw/zinc/79/56/47/432795647.db2.gz ZRJAJUSUPLZIGO-UHFFFAOYSA-N 0 3 300.446 3.323 20 30 DGEDHN C[C@@H](CCC#N)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000276364540 432801134 /nfs/dbraw/zinc/80/11/34/432801134.db2.gz ZOKGTISHZLTYLS-ZDUSSCGKSA-N 0 3 303.381 3.168 20 30 DGEDHN Cn1cc(CNCc2cc(Br)cs2)cc1C#N ZINC000189593357 432801715 /nfs/dbraw/zinc/80/17/15/432801715.db2.gz TZZHAHKUWMYVIN-UHFFFAOYSA-N 0 3 310.220 3.011 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000276485709 432812108 /nfs/dbraw/zinc/81/21/08/432812108.db2.gz ZSQYYBUASGOBOU-CQSZACIVSA-N 0 3 307.463 3.103 20 30 DGEDHN C=CCc1cc(CN2CC[C@H]3OCCC[C@H]3C2)cc(OC)c1O ZINC000245783967 432863148 /nfs/dbraw/zinc/86/31/48/432863148.db2.gz UXJYKBCVQOAQTN-DLBZAZTESA-N 0 3 317.429 3.130 20 30 DGEDHN C=CCC[C@H](O)CN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000245980713 432873394 /nfs/dbraw/zinc/87/33/94/432873394.db2.gz CVAHQHGRYWMTTL-WBVHZDCISA-N 0 3 304.434 3.053 20 30 DGEDHN C[C@H]1CCCCN1CCNC(=O)CCc1cccc2c1OCO2 ZINC000329925208 432882993 /nfs/dbraw/zinc/88/29/93/432882993.db2.gz JRCXNVDDBZLGND-AWEZNQCLSA-N 0 3 318.417 3.179 20 30 DGEDHN Cc1ncoc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000329986983 432886827 /nfs/dbraw/zinc/88/68/27/432886827.db2.gz FTNTXWIYXFEWLN-GXTWGEPZSA-N 0 3 319.430 3.432 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1C ZINC000330054599 432890691 /nfs/dbraw/zinc/89/06/91/432890691.db2.gz SGBQMTRHNAWWSU-DZGCQCFKSA-N 0 3 318.465 3.484 20 30 DGEDHN C=C(C)COc1cc(CNCC2=CCCOC2)ccc1OC ZINC000288381477 432891127 /nfs/dbraw/zinc/89/11/27/432891127.db2.gz GBEOXKQDNULUNV-UHFFFAOYSA-N 0 3 303.402 3.086 20 30 DGEDHN C#Cc1ccc(CNCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000289361230 432950331 /nfs/dbraw/zinc/95/03/31/432950331.db2.gz YRWJUFAKIHMHRZ-UHFFFAOYSA-N 0 3 318.420 3.080 20 30 DGEDHN C=CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000279157238 432940425 /nfs/dbraw/zinc/94/04/25/432940425.db2.gz CHYGKOBBQGVDLJ-AEFFLSMTSA-N 0 3 315.461 3.305 20 30 DGEDHN C#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1 ZINC000289326632 432944916 /nfs/dbraw/zinc/94/49/16/432944916.db2.gz GHTNCOKGHSATTM-HKUYNNGSSA-N 0 3 309.413 3.065 20 30 DGEDHN C#Cc1ccc(CN[C@H](CCC(=O)OC)c2ccccc2)cc1 ZINC000289347827 432947943 /nfs/dbraw/zinc/94/79/43/432947943.db2.gz WZQNOTUCHZRZPL-LJQANCHMSA-N 0 3 307.393 3.452 20 30 DGEDHN N#C[C@@H]1CC[C@@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000278535585 432896379 /nfs/dbraw/zinc/89/63/79/432896379.db2.gz FPYKXSCWVHCSQM-SJLPKXTDSA-N 0 3 301.409 3.026 20 30 DGEDHN CC(C)(C#N)CCCCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000278578209 432896607 /nfs/dbraw/zinc/89/66/07/432896607.db2.gz CNAOPELEGMCQEW-INIZCTEOSA-N 0 3 322.474 3.082 20 30 DGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CC(C)(C)C#N ZINC000278592060 432896717 /nfs/dbraw/zinc/89/67/17/432896717.db2.gz UEKQJZVGYKTRGL-WBVHZDCISA-N 0 3 311.429 3.069 20 30 DGEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](O)c1c(F)cccc1F ZINC000278652324 432898388 /nfs/dbraw/zinc/89/83/88/432898388.db2.gz IDXRFHCCXPYTCM-RBNVPPIJSA-N 0 3 308.372 3.449 20 30 DGEDHN C[C@]1(CO)CCC[C@H]1NCC(=O)NC1(c2ccccc2)CCC1 ZINC000330222943 432898754 /nfs/dbraw/zinc/89/87/54/432898754.db2.gz SCKNRTTXKUKGCL-SJLPKXTDSA-N 0 3 316.445 3.163 20 30 DGEDHN O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@H]1CCCN1C1CCCC1 ZINC000330276555 432902331 /nfs/dbraw/zinc/90/23/31/432902331.db2.gz NBLCXRHEOKKIPP-RHSMWYFYSA-N 0 3 314.429 3.223 20 30 DGEDHN N#Cc1ccc(NC(=O)C2CCN(C3CC3)CC2)c(Cl)c1 ZINC000278848005 432908726 /nfs/dbraw/zinc/90/87/26/432908726.db2.gz WYUVYIIABYJILM-UHFFFAOYSA-N 0 3 303.793 3.025 20 30 DGEDHN C[C@@H]1CCCN(CCNC(=O)c2cc(Cl)cc(F)c2N)C1 ZINC000330441598 432909960 /nfs/dbraw/zinc/90/99/60/432909960.db2.gz DQCATGIWDPVJIP-SNVBAGLBSA-N 0 3 313.804 3.098 20 30 DGEDHN CC(C)(C#N)CCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278903258 432914844 /nfs/dbraw/zinc/91/48/44/432914844.db2.gz RWRIACKEOQUAIQ-CQSZACIVSA-N 0 3 305.397 3.394 20 30 DGEDHN Cc1c(C#N)c(NC2CCN(C3CC3)CC2)nc2ccccc12 ZINC000296494520 432915072 /nfs/dbraw/zinc/91/50/72/432915072.db2.gz LEKUSGNLKHDGPV-UHFFFAOYSA-N 0 3 306.413 3.454 20 30 DGEDHN C=CCC[C@@H](NCC1(OCCOC)CCOCC1)c1ccco1 ZINC000296495762 432915494 /nfs/dbraw/zinc/91/54/94/432915494.db2.gz OVFCAGINJUUJNF-MRXNPFEDSA-N 0 3 323.433 3.089 20 30 DGEDHN C#C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000289089355 432921212 /nfs/dbraw/zinc/92/12/12/432921212.db2.gz BLJPEWZJXQZWHH-GOSISDBHSA-N 0 3 306.413 3.211 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000290152573 433002266 /nfs/dbraw/zinc/00/22/66/433002266.db2.gz CRGGHTSKYCYLGC-INIZCTEOSA-N 0 3 321.486 3.077 20 30 DGEDHN Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279734754 432990871 /nfs/dbraw/zinc/99/08/71/432990871.db2.gz OCCGLRPUTXYEDQ-LJQANCHMSA-N 0 3 317.392 3.208 20 30 DGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCC(C)(F)F)C(C)C ZINC000297322735 432993513 /nfs/dbraw/zinc/99/35/13/432993513.db2.gz YFUZQYJJOLILCS-AWEZNQCLSA-N 0 3 317.424 3.030 20 30 DGEDHN CCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)oc1C ZINC000290215463 433015107 /nfs/dbraw/zinc/01/51/07/433015107.db2.gz UOBBUXVYGVYLQH-UHFFFAOYSA-N 0 3 317.433 3.188 20 30 DGEDHN CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280253858 433024403 /nfs/dbraw/zinc/02/44/03/433024403.db2.gz CCCUPYFUIZZQRB-YJBOKZPZSA-N 0 3 309.413 3.279 20 30 DGEDHN N#Cc1ccc(CNCCc2cccc(OCC(F)(F)F)c2)o1 ZINC000280320265 433033220 /nfs/dbraw/zinc/03/32/20/433033220.db2.gz QJEDNKHVRWMLRB-UHFFFAOYSA-N 0 3 324.302 3.425 20 30 DGEDHN COc1ccc([C@H](O)C2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000298074311 433046462 /nfs/dbraw/zinc/04/64/62/433046462.db2.gz HFMVFFBVKRFJEC-KSSFIOAISA-N 0 3 302.418 3.133 20 30 DGEDHN C#Cc1ccc(CNCc2cccc(OCCCOC)c2)cc1 ZINC000290418908 433047688 /nfs/dbraw/zinc/04/76/88/433047688.db2.gz QSMKOMSHENZCBN-UHFFFAOYSA-N 0 3 309.409 3.373 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000280477235 433055811 /nfs/dbraw/zinc/05/58/11/433055811.db2.gz PJXIMMWLJOAZFO-GUDVDZBRSA-N 0 3 321.424 3.326 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)NCC1(N(C)C)CCC1 ZINC000446619596 433077042 /nfs/dbraw/zinc/07/70/42/433077042.db2.gz HKQHPJLLCTXUPP-UHFFFAOYSA-N 0 3 307.482 3.249 20 30 DGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C#N)ccc1Cl ZINC000350099513 433078734 /nfs/dbraw/zinc/07/87/34/433078734.db2.gz PPAXFVXSNYMJNJ-OLZOCXBDSA-N 0 3 319.836 3.062 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000453360010 433122979 /nfs/dbraw/zinc/12/29/79/433122979.db2.gz PRSXRAVONZTNGU-YUELXQCFSA-N 0 3 321.417 3.097 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453377781 433134275 /nfs/dbraw/zinc/13/42/75/433134275.db2.gz YROMNAJWVVNWPW-RZAIGCCYSA-N 0 3 315.392 3.314 20 30 DGEDHN CN(C(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1)c1ccccc1 ZINC000280716160 433149997 /nfs/dbraw/zinc/14/99/97/433149997.db2.gz HTYOFUKEOGBYHV-GOSISDBHSA-N 0 3 319.408 3.043 20 30 DGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000425120824 433101710 /nfs/dbraw/zinc/10/17/10/433101710.db2.gz BDUQKPGKBZVGRU-QXSJWSMHSA-N 0 3 313.445 3.339 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000453337847 433103778 /nfs/dbraw/zinc/10/37/78/433103778.db2.gz AOXTUVZAXAWLIM-UHTWSYAYSA-N 0 3 313.344 3.291 20 30 DGEDHN C=CCSCCN[C@@H](C)c1ccc(Br)nc1 ZINC000290601123 433111454 /nfs/dbraw/zinc/11/14/54/433111454.db2.gz HFWLHJBKZUEUDL-JTQLQIEISA-N 0 3 301.253 3.414 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Br)o1 ZINC000280618879 433112602 /nfs/dbraw/zinc/11/26/02/433112602.db2.gz KURJSPGWAYBFMS-ZWNOBZJWSA-N 0 3 300.196 3.113 20 30 DGEDHN Cc1ccc2c(c1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000361337376 433116429 /nfs/dbraw/zinc/11/64/29/433116429.db2.gz RJCBTWYKEREJID-SFHVURJKSA-N 0 3 315.376 3.091 20 30 DGEDHN COCCN(CCCC1(C#N)CCOCC1)Cc1cccs1 ZINC000337134589 433208793 /nfs/dbraw/zinc/20/87/93/433208793.db2.gz NFSKYOHMKRTABM-UHFFFAOYSA-N 0 3 322.474 3.297 20 30 DGEDHN C=CCC(F)(F)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000298580531 433183900 /nfs/dbraw/zinc/18/39/00/433183900.db2.gz ICYSXVJDVACNEJ-ZBFHGGJFSA-N 0 3 320.383 3.341 20 30 DGEDHN Cc1nnc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000336711969 433185327 /nfs/dbraw/zinc/18/53/27/433185327.db2.gz QFUXMOFVPRHOFO-YJBOKZPZSA-N 0 3 321.428 3.040 20 30 DGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000361469749 433186417 /nfs/dbraw/zinc/18/64/17/433186417.db2.gz NIEDKPUKDUVVJQ-QGZVFWFLSA-N 0 3 313.445 3.444 20 30 DGEDHN C=C(C)Cn1c(CCCC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453457246 433194191 /nfs/dbraw/zinc/19/41/91/433194191.db2.gz XMYHQTVSKYWGMW-MRXNPFEDSA-N 0 3 319.497 3.117 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)C[C@H](C)OC ZINC000291218642 433230486 /nfs/dbraw/zinc/23/04/86/433230486.db2.gz LGHUOJLLTWYALB-GJZGRUSLSA-N 0 3 324.490 3.008 20 30 DGEDHN CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000291371294 433233830 /nfs/dbraw/zinc/23/38/30/433233830.db2.gz DCPMCEJYUBBHRQ-IBGZPJMESA-N 0 3 311.429 3.095 20 30 DGEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2OC)cc1 ZINC000337455297 433238223 /nfs/dbraw/zinc/23/82/23/433238223.db2.gz JBCDQPISMSTYDD-ACJLOTCBSA-N 0 3 324.380 3.069 20 30 DGEDHN C=CC[C@H](CC)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000281117290 433263159 /nfs/dbraw/zinc/26/31/59/433263159.db2.gz RYPPWLJUKNOFPS-SFHVURJKSA-N 0 3 300.446 3.370 20 30 DGEDHN C#Cc1ccc(CNCc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000291707745 433319419 /nfs/dbraw/zinc/31/94/19/433319419.db2.gz ZOMRUWQIAJLCNY-UHFFFAOYSA-N 0 3 305.425 3.261 20 30 DGEDHN C=CCCCN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC000425502057 433271982 /nfs/dbraw/zinc/27/19/82/433271982.db2.gz BFBLGKFVIMCSIG-LSDHHAIUSA-N 0 3 309.356 3.119 20 30 DGEDHN C[C@@H](c1cccnc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000298940777 433281252 /nfs/dbraw/zinc/28/12/52/433281252.db2.gz CWZZTCLUNKOHNM-INIZCTEOSA-N 0 3 306.413 3.227 20 30 DGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(C)c2C)CC1 ZINC000291612350 433285579 /nfs/dbraw/zinc/28/55/79/433285579.db2.gz AEUOJJOCHFAPOP-UHFFFAOYSA-N 0 3 315.461 3.095 20 30 DGEDHN CCc1nnc(NC[C@H]2N(C)CCCC2(C)C)c(C#N)c1CC ZINC000447813080 433287508 /nfs/dbraw/zinc/28/75/08/433287508.db2.gz PXKSXCSFRROFJW-MRXNPFEDSA-N 0 3 315.465 3.005 20 30 DGEDHN CCc1nc([C@@H](C)NCCCC2(C#N)CCOCC2)cs1 ZINC000281352517 433291279 /nfs/dbraw/zinc/29/12/79/433291279.db2.gz NGLOZNYQILHEHR-CYBMUJFWSA-N 0 3 307.463 3.457 20 30 DGEDHN C=CCN1CC[C@H](N[C@@H](C)c2cc3ccccc3s2)C1=O ZINC000281403470 433299052 /nfs/dbraw/zinc/29/90/52/433299052.db2.gz QQYREHOVAYUKCR-JSGCOSHPSA-N 0 3 300.427 3.339 20 30 DGEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000281447835 433301819 /nfs/dbraw/zinc/30/18/19/433301819.db2.gz SPDKDCGDKPMIMO-GOSISDBHSA-N 0 3 315.461 3.259 20 30 DGEDHN [O-]c1c(O)cccc1/C=N/C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281456073 433302437 /nfs/dbraw/zinc/30/24/37/433302437.db2.gz BRTGBEXJFPFKPB-PUMYGXPMSA-N 0 3 302.418 3.314 20 30 DGEDHN [O-]c1c(O)cccc1/C=N/C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000281456073 433302450 /nfs/dbraw/zinc/30/24/50/433302450.db2.gz BRTGBEXJFPFKPB-PUMYGXPMSA-N 0 3 302.418 3.314 20 30 DGEDHN CN(C)C1(CN(C)C(=O)c2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000281474890 433307216 /nfs/dbraw/zinc/30/72/16/433307216.db2.gz DQJMTIHTHYWMME-UHFFFAOYSA-N 0 3 313.445 3.044 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000454261577 433348600 /nfs/dbraw/zinc/34/86/00/433348600.db2.gz MIBHGMMDKYOOQO-OAHLLOKOSA-N 0 3 309.479 3.396 20 30 DGEDHN N#Cc1cc(CN(Cc2ccccc2)CC2(CO)CC2)ccc1F ZINC000341949681 433376192 /nfs/dbraw/zinc/37/61/92/433376192.db2.gz XJCYIUAEPYCFGN-UHFFFAOYSA-N 0 3 324.399 3.472 20 30 DGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c(F)c1 ZINC000375016121 433331235 /nfs/dbraw/zinc/33/12/35/433331235.db2.gz XOIYZHWMWWULQY-JKSUJKDBSA-N 0 3 302.393 3.336 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000454245503 433339745 /nfs/dbraw/zinc/33/97/45/433339745.db2.gz XYPIBZUGDIQEIH-KRWDZBQOSA-N 0 3 301.434 3.089 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000375320003 433428651 /nfs/dbraw/zinc/42/86/51/433428651.db2.gz MNISFTAMZPIPJI-OLMNPRSZSA-N 0 3 300.402 3.121 20 30 DGEDHN COc1cc(CN[C@H](C)C[C@@H](O)c2cccs2)ccc1C#N ZINC000281816437 433392521 /nfs/dbraw/zinc/39/25/21/433392521.db2.gz WNFWGEIPTUUWTO-IUODEOHRSA-N 0 3 316.426 3.230 20 30 DGEDHN C=C(CC)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000454370067 433397089 /nfs/dbraw/zinc/39/70/89/433397089.db2.gz PTRAVCWBPUASJV-DOTOQJQBSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCOc1ccc(CN2CCCC[C@H]2C[C@@H](C)O)cc1OC ZINC000448364877 433399209 /nfs/dbraw/zinc/39/92/09/433399209.db2.gz HAPVVTNOKWUSCA-WBVHZDCISA-N 0 3 319.445 3.385 20 30 DGEDHN C=CCOc1ccc(CN2CCCC[C@H]2C[C@H](C)O)cc1OC ZINC000448364876 433400418 /nfs/dbraw/zinc/40/04/18/433400418.db2.gz HAPVVTNOKWUSCA-RDJZCZTQSA-N 0 3 319.445 3.385 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(C)C2CC2)CC1 ZINC000454456338 433434218 /nfs/dbraw/zinc/43/42/18/433434218.db2.gz DALOSGXFGWSLHH-UHFFFAOYSA-N 0 3 307.482 3.152 20 30 DGEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1Cl)Cc1ccccc1 ZINC000339244235 433462757 /nfs/dbraw/zinc/46/27/57/433462757.db2.gz ZNSFKNQIPMATPN-OAHLLOKOSA-N 0 3 314.820 3.191 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@H]2CC)CC1 ZINC000454536032 433469948 /nfs/dbraw/zinc/46/99/48/433469948.db2.gz GEKRXCBRZBWEEB-CVEARBPZSA-N 0 3 307.482 3.152 20 30 DGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCC[C@@H]1O ZINC000351310355 433469604 /nfs/dbraw/zinc/46/96/04/433469604.db2.gz YRBFGUPJWNJVCZ-ZFWWWQNUSA-N 0 3 324.371 3.143 20 30 DGEDHN CN(C)[C@@H](CNCc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000421323718 433476027 /nfs/dbraw/zinc/47/60/27/433476027.db2.gz HARQBWYQMWKIKY-SFHVURJKSA-N 0 3 315.367 3.229 20 30 DGEDHN N#Cc1ccc(CNCCc2cc(C(F)(F)F)ccn2)cc1F ZINC000421374158 433518989 /nfs/dbraw/zinc/51/89/89/433518989.db2.gz BDZKUQDKOAJAQV-UHFFFAOYSA-N 0 3 323.293 3.443 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000426546842 433528773 /nfs/dbraw/zinc/52/87/73/433528773.db2.gz CAAWOKSSHHJNRP-ZBFHGGJFSA-N 0 3 303.402 3.167 20 30 DGEDHN C[C@H](CC(=O)N(C)c1ccccc1)NCc1ccc(C#N)s1 ZINC000421347820 433492207 /nfs/dbraw/zinc/49/22/07/433492207.db2.gz DHNATWOSBLKUMN-CYBMUJFWSA-N 0 3 313.426 3.151 20 30 DGEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1F ZINC000282099220 433495216 /nfs/dbraw/zinc/49/52/16/433495216.db2.gz VYKJRRPIGHRIEX-UHFFFAOYSA-N 0 3 308.372 3.497 20 30 DGEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3)C2)cc1F ZINC000421361991 433503917 /nfs/dbraw/zinc/50/39/17/433503917.db2.gz HYRWZKFOBRCSKY-QGZVFWFLSA-N 0 3 309.388 3.456 20 30 DGEDHN C=CCC(C)(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000292386105 433560931 /nfs/dbraw/zinc/56/09/31/433560931.db2.gz WVKOQOLXIAMVAJ-UHFFFAOYSA-N 0 3 300.446 3.370 20 30 DGEDHN CC(C)[C@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12CCC2 ZINC000292499334 433572037 /nfs/dbraw/zinc/57/20/37/433572037.db2.gz RZRWEPRYVQSVKK-QZTJIDSGSA-N 0 3 321.424 3.278 20 30 DGEDHN CN(c1cccc(C#N)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301421554 433547231 /nfs/dbraw/zinc/54/72/31/433547231.db2.gz FEKWEVZBXFSZBX-SFHVURJKSA-N 0 3 306.413 3.054 20 30 DGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282268571 433548003 /nfs/dbraw/zinc/54/80/03/433548003.db2.gz AJBWFXYLFDXPOW-KBXCAEBGSA-N 0 3 309.413 3.160 20 30 DGEDHN N#Cc1cccnc1Nc1ccc(CCN2CCSCC2)cc1 ZINC000301535963 433598933 /nfs/dbraw/zinc/59/89/33/433598933.db2.gz MPZACGYWHWMGSE-UHFFFAOYSA-N 0 3 324.453 3.288 20 30 DGEDHN Cc1ccccc1C(C)(C)NCC(=O)NC1(C#N)CCCCC1 ZINC000293121775 433621385 /nfs/dbraw/zinc/62/13/85/433621385.db2.gz ZFNISKHGTBUYHW-UHFFFAOYSA-N 0 3 313.445 3.162 20 30 DGEDHN C=CCSc1ccccc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000362389806 433684329 /nfs/dbraw/zinc/68/43/29/433684329.db2.gz QGZXLHJETDGUQB-OAHLLOKOSA-N 0 3 318.486 3.379 20 30 DGEDHN C=CCC(F)(F)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000293311400 433693827 /nfs/dbraw/zinc/69/38/27/433693827.db2.gz ISWJNFOFYINBKU-UHFFFAOYSA-N 0 3 322.399 3.321 20 30 DGEDHN C=CCCCC[C@H](C)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000449053998 433711662 /nfs/dbraw/zinc/71/16/62/433711662.db2.gz DLARQUOJQDCAQX-AWEZNQCLSA-N 0 3 303.450 3.394 20 30 DGEDHN CC(C)(CO)[C@H](NCc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000339725835 433749273 /nfs/dbraw/zinc/74/92/73/433749273.db2.gz SHBATJBJIMBPKA-OAHLLOKOSA-N 0 3 324.371 3.046 20 30 DGEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000342716393 433754042 /nfs/dbraw/zinc/75/40/42/433754042.db2.gz DHKVVRZYRYMOFB-ZDUSSCGKSA-N 0 3 317.458 3.151 20 30 DGEDHN CN1CCN(CCCC2(C#N)CCOCC2)Cc2ccccc21 ZINC000376625097 433790690 /nfs/dbraw/zinc/79/06/90/433790690.db2.gz CVDVQMLYCHWBHE-UHFFFAOYSA-N 0 3 313.445 3.039 20 30 DGEDHN CC[C@H](C)N[C@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000343265520 433793170 /nfs/dbraw/zinc/79/31/70/433793170.db2.gz NXKKQEQCAIEOLK-WCQYABFASA-N 0 3 318.808 3.741 20 30 DGEDHN N#Cc1cc2c(nc1N1CCN(C3CCCCC3)CC1)CCCC2 ZINC000301918806 433796603 /nfs/dbraw/zinc/79/66/03/433796603.db2.gz JXOPTOGVKFJWJR-UHFFFAOYSA-N 0 3 324.472 3.287 20 30 DGEDHN COCCOc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000421896474 433799246 /nfs/dbraw/zinc/79/92/46/433799246.db2.gz ZQAXSMLJGLGGTE-CYBMUJFWSA-N 0 3 316.426 3.496 20 30 DGEDHN CN(CC1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1F ZINC000301937516 433803528 /nfs/dbraw/zinc/80/35/28/433803528.db2.gz RZSRYNICOVIPST-UHFFFAOYSA-N 0 3 324.403 3.445 20 30 DGEDHN C=C(C)CN1CCC(Nc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000302053799 433810974 /nfs/dbraw/zinc/81/09/74/433810974.db2.gz PLPOCEPWDTWGPB-UHFFFAOYSA-N 0 3 312.417 3.497 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C2CC2)C1 ZINC000344014817 433844601 /nfs/dbraw/zinc/84/46/01/433844601.db2.gz DBNHCPCEEAZTDS-DOTOQJQBSA-N 0 3 311.429 3.054 20 30 DGEDHN C[C@@H](NC(C)(C)CNC(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000339902088 433849672 /nfs/dbraw/zinc/84/96/72/433849672.db2.gz ICQGFTZFMUILCL-CYBMUJFWSA-N 0 3 311.385 3.010 20 30 DGEDHN N#Cc1ccccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000340051974 433900502 /nfs/dbraw/zinc/90/05/02/433900502.db2.gz YLMHMENKXPNURQ-LJQANCHMSA-N 0 3 322.408 3.228 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1sccc1-c1ccccc1 ZINC000294046333 433974786 /nfs/dbraw/zinc/97/47/86/433974786.db2.gz SXGGQUJEYUHTCH-UHFFFAOYSA-N 0 3 312.438 3.100 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)[C@@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000457095672 433983100 /nfs/dbraw/zinc/98/31/00/433983100.db2.gz PZPIKQBKSMMCSK-QZTJIDSGSA-N 0 3 300.446 3.287 20 30 DGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCC(C)(C)C#N)C[C@H]2C1 ZINC000377757039 433985827 /nfs/dbraw/zinc/98/58/27/433985827.db2.gz CPRPYFWXYMORHI-GJZGRUSLSA-N 0 3 321.465 3.115 20 30 DGEDHN C#CCCOc1ccc(CN2CC[C@@](CO)(CCC)C2)cc1 ZINC000377836199 434014754 /nfs/dbraw/zinc/01/47/54/434014754.db2.gz ZQUBTWKTOZOGGW-IBGZPJMESA-N 0 3 301.430 3.073 20 30 DGEDHN N#CC(CCc1ccccc1)C(=O)NCCC1CC(F)(F)C1 ZINC000457194954 434046853 /nfs/dbraw/zinc/04/68/53/434046853.db2.gz YILIPTDMPRJLNN-HNNXBMFYSA-N 0 3 306.356 3.311 20 30 DGEDHN C=CCC[C@@H](O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285692766 434041361 /nfs/dbraw/zinc/04/13/61/434041361.db2.gz VLDUIOINHYQNFE-IUODEOHRSA-N 0 3 318.244 3.334 20 30 DGEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCCCO3)CC2)c(F)c1 ZINC000285556565 433994963 /nfs/dbraw/zinc/99/49/63/433994963.db2.gz SABVXELOLQAGQL-INIZCTEOSA-N 0 3 318.392 3.110 20 30 DGEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccc2n[nH]cc2c1 ZINC000353176353 434070863 /nfs/dbraw/zinc/07/08/63/434070863.db2.gz TVBFBXSNAWWMJK-CYBMUJFWSA-N 0 3 306.369 3.164 20 30 DGEDHN CC(C)(C)[C@@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352837441 434056233 /nfs/dbraw/zinc/05/62/33/434056233.db2.gz AFCSVFZFRLRINU-ZDUSSCGKSA-N 0 3 300.324 3.074 20 30 DGEDHN CN(CCCN(C)Cc1cc(F)ccc1C#N)Cc1ccco1 ZINC000285758458 434059971 /nfs/dbraw/zinc/05/99/71/434059971.db2.gz SCFIGVOBWUTDHZ-UHFFFAOYSA-N 0 3 315.392 3.244 20 30 DGEDHN CCN(Cc1ccc(C(=O)NCC2(C#N)CCC2)cc1)C1CC1 ZINC000416361762 434116205 /nfs/dbraw/zinc/11/62/05/434116205.db2.gz ZIWPVCIQTKZFCI-UHFFFAOYSA-N 0 3 311.429 3.095 20 30 DGEDHN C=CCC(F)(F)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000294689622 434128982 /nfs/dbraw/zinc/12/89/82/434128982.db2.gz IMMGEEIZKHBUMW-UHFFFAOYSA-N 0 3 322.399 3.321 20 30 DGEDHN COc1ccc([C@H](CN2CCCC2)Nc2ccnc(C#N)c2)cc1 ZINC000286073071 434152429 /nfs/dbraw/zinc/15/24/29/434152429.db2.gz BDODIXDLNTWHOI-IBGZPJMESA-N 0 3 322.412 3.211 20 30 DGEDHN CCc1ccc(C#CC(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000295024772 434159856 /nfs/dbraw/zinc/15/98/56/434159856.db2.gz WWWOFUOUNSIWET-UHFFFAOYSA-N 0 3 320.436 3.343 20 30 DGEDHN Cn1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000357781521 434177577 /nfs/dbraw/zinc/17/75/77/434177577.db2.gz ASUASCPQENGOIB-NSHDSACASA-N 0 3 314.295 3.260 20 30 DGEDHN CN(CCCN(C)c1ncc(C#N)cc1Cl)Cc1ccco1 ZINC000286212672 434194889 /nfs/dbraw/zinc/19/48/89/434194889.db2.gz BIVSOQFZCISXEJ-UHFFFAOYSA-N 0 3 318.808 3.158 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364673088 434276218 /nfs/dbraw/zinc/27/62/18/434276218.db2.gz LMHUCOPBMNFHEL-NJAFHUGGSA-N 0 3 315.461 3.135 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCSCC#N ZINC000347571437 434267924 /nfs/dbraw/zinc/26/79/24/434267924.db2.gz RBZKMLDSUBPBRN-SJORKVTESA-N 0 3 317.502 3.228 20 30 DGEDHN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCCOC1 ZINC000348142954 434283641 /nfs/dbraw/zinc/28/36/41/434283641.db2.gz OAJSEULFGRKRIG-RISCZKNCSA-N 0 3 310.344 3.064 20 30 DGEDHN C=CCOCCN[C@H](C)c1ccc(F)c(Br)c1 ZINC000383340815 434284539 /nfs/dbraw/zinc/28/45/39/434284539.db2.gz RVIHGKFBQIPKNT-SNVBAGLBSA-N 0 3 302.187 3.441 20 30 DGEDHN C[C@@H](NC[C@@](C)(CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000348285887 434288096 /nfs/dbraw/zinc/28/80/96/434288096.db2.gz XKOGMZBUJPSDGL-KUHUBIRLSA-N 0 3 312.388 3.298 20 30 DGEDHN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cc(C#N)n(C)c2)c1 ZINC000365254016 434290085 /nfs/dbraw/zinc/29/00/85/434290085.db2.gz FQRYHWZWRBZYHA-KUHUBIRLSA-N 0 3 309.413 3.488 20 30 DGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)NC1CCC(C)CC1 ZINC000328664895 434296599 /nfs/dbraw/zinc/29/65/99/434296599.db2.gz CAJIEUBOHMRZBF-UMLFFROESA-N 0 3 320.477 3.457 20 30 DGEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)NC1CCCCC1 ZINC000328713934 434302478 /nfs/dbraw/zinc/30/24/78/434302478.db2.gz SEMGYZLLYZKDGR-JSGCOSHPSA-N 0 3 307.438 3.295 20 30 DGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)CCc1ccccc1)CC2 ZINC000353657313 434307936 /nfs/dbraw/zinc/30/79/36/434307936.db2.gz JAPNVGILLRHLLN-ICSRJNTNSA-N 0 3 306.409 3.129 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 ZINC000328785800 434315112 /nfs/dbraw/zinc/31/51/12/434315112.db2.gz OLEIRYVEGASSHX-LJHODMEESA-N 0 3 316.445 3.330 20 30 DGEDHN Cc1cccc(NC(=O)[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000328845629 434317793 /nfs/dbraw/zinc/31/77/93/434317793.db2.gz QFYMRQZHDQMMKG-OAGGEKHMSA-N 0 3 312.417 3.382 20 30 DGEDHN Cc1nc(CCNC(=O)[C@@H](C(C)C)N2CCCCC2)c(C)o1 ZINC000329122597 434361710 /nfs/dbraw/zinc/36/17/10/434361710.db2.gz RFXZSWLWSGCOEW-MRXNPFEDSA-N 0 3 307.438 3.301 20 30 DGEDHN CCN(CC)C(=O)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417378776 434375195 /nfs/dbraw/zinc/37/51/95/434375195.db2.gz FQVCWSZQIGHQNB-KBXCAEBGSA-N 0 3 313.445 3.172 20 30 DGEDHN C[C@@H](c1ccccc1)[C@@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000450677096 434336941 /nfs/dbraw/zinc/33/69/41/434336941.db2.gz YIZHOVDOXPGBRT-KXBFYZLASA-N 0 3 306.409 3.302 20 30 DGEDHN C=CC[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000295398582 434346318 /nfs/dbraw/zinc/34/63/18/434346318.db2.gz REYZCBGYPPOTMQ-QFBILLFUSA-N 0 3 312.457 3.289 20 30 DGEDHN CN(C[C@H](O)c1ccccc1Br)[C@H]1CC[C@H](C#N)C1 ZINC000295414635 434350977 /nfs/dbraw/zinc/35/09/77/434350977.db2.gz UNEJQYUWMDDYPQ-HUBLWGQQSA-N 0 3 323.234 3.107 20 30 DGEDHN C[C@@H](C(=O)NCc1ccc(CN(C)C)cc1)c1cccc(C#N)c1 ZINC000359844224 434445150 /nfs/dbraw/zinc/44/51/50/434445150.db2.gz OVGBDOZEFPBVFF-OAHLLOKOSA-N 0 3 321.424 3.040 20 30 DGEDHN CC[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000329425452 434409659 /nfs/dbraw/zinc/40/96/59/434409659.db2.gz IWCXMUKZRAHGBO-DGCLKSJQSA-N 0 3 323.462 3.157 20 30 DGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000359248449 434415573 /nfs/dbraw/zinc/41/55/73/434415573.db2.gz CIBQUOUUCDQZJA-OAGGEKHMSA-N 0 3 319.497 3.287 20 30 DGEDHN CC[C@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431357 434419659 /nfs/dbraw/zinc/41/96/59/434419659.db2.gz QLUGGBXFLDCUTO-PMACEKPBSA-N 0 3 305.425 3.486 20 30 DGEDHN N#C[C@@H]1CCC[C@H](NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000248821296 294819654 /nfs/dbraw/zinc/81/96/54/294819654.db2.gz LJHFRHLJVXHBNQ-IXDOHACOSA-N 0 3 301.434 3.479 20 30 DGEDHN Cc1ccc([C@@H]2OCCC[C@H]2NCc2cc(C#N)n(C)c2)cc1 ZINC000359745098 434427676 /nfs/dbraw/zinc/42/76/76/434427676.db2.gz KCVRBOFXFISTSM-MOPGFXCFSA-N 0 3 309.413 3.215 20 30 DGEDHN C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1cccc(C#N)c1 ZINC000353792485 434437137 /nfs/dbraw/zinc/43/71/37/434437137.db2.gz HCYLMFUEONBRMR-FPTDNZKUSA-N 0 3 312.438 3.288 20 30 DGEDHN C[C@@H](C(=O)NCc1c2c(nn1C)CCCC2)N1[C@H](C)CC[C@@H]1C ZINC000329734899 434467266 /nfs/dbraw/zinc/46/72/66/434467266.db2.gz KOHVPBWDBAIPPT-MJBXVCDLSA-N 0 3 318.465 3.017 20 30 DGEDHN Cc1ccc([O-])c(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000329751361 434472818 /nfs/dbraw/zinc/47/28/18/434472818.db2.gz IVPGULKDQXCMKW-CYBMUJFWSA-N 0 3 303.406 3.338 20 30 DGEDHN Cc1ccc([O-])c(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000329751361 434472826 /nfs/dbraw/zinc/47/28/26/434472826.db2.gz IVPGULKDQXCMKW-CYBMUJFWSA-N 0 3 303.406 3.338 20 30 DGEDHN Cc1nc(N2CCC[C@@H]2CN2CCCCC2)c(Cl)cc1C#N ZINC000360064752 434503119 /nfs/dbraw/zinc/50/31/19/434503119.db2.gz DWEQMOKZUOUCOD-OAHLLOKOSA-N 0 3 318.852 3.370 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000341036250 434503959 /nfs/dbraw/zinc/50/39/59/434503959.db2.gz JOBRAKIGYDAPSR-MAUKXSAKSA-N 0 3 316.445 3.325 20 30 DGEDHN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329906063 434504251 /nfs/dbraw/zinc/50/42/51/434504251.db2.gz JXEHHHVPLLVNIV-LLVKDONJSA-N 0 3 311.451 3.054 20 30 DGEDHN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329906063 434504262 /nfs/dbraw/zinc/50/42/62/434504262.db2.gz JXEHHHVPLLVNIV-LLVKDONJSA-N 0 3 311.451 3.054 20 30 DGEDHN C=C(CC)CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000451263999 434560302 /nfs/dbraw/zinc/56/03/02/434560302.db2.gz ZSNUFRZJRSYILR-UHFFFAOYSA-N 0 3 307.869 3.148 20 30 DGEDHN Cc1nccn1CCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000367014657 434536490 /nfs/dbraw/zinc/53/64/90/434536490.db2.gz WYIPDVYZZYZQBU-MOPGFXCFSA-N 0 3 308.429 3.353 20 30 DGEDHN N#CC1(c2ccccn2)CCN(CC[C@@H](O)c2ccccc2)CC1 ZINC000367137386 434540531 /nfs/dbraw/zinc/54/05/31/434540531.db2.gz HZTDHHPDBWPHOP-GOSISDBHSA-N 0 3 321.424 3.062 20 30 DGEDHN COC(=O)[C@@]1(C(F)(F)F)CCN(CCCCC(C)(C)C#N)C1 ZINC000367146563 434541774 /nfs/dbraw/zinc/54/17/74/434541774.db2.gz WPAAHYRXCGRPNC-CQSZACIVSA-N 0 3 320.355 3.134 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451148325 434557061 /nfs/dbraw/zinc/55/70/61/434557061.db2.gz PRYQJHYQEABQLH-MJBXVCDLSA-N 0 3 320.399 3.462 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418042729 434571536 /nfs/dbraw/zinc/57/15/36/434571536.db2.gz XZAQIBRCAYXFIG-SFHVURJKSA-N 0 3 311.429 3.495 20 30 DGEDHN Cc1ccc([C@H](CNc2nccc(C#N)c2Cl)N(C)C)cc1 ZINC000439154896 434572865 /nfs/dbraw/zinc/57/28/65/434572865.db2.gz AFBAQIJZHHPVPB-HNNXBMFYSA-N 0 3 314.820 3.630 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000452083906 434584281 /nfs/dbraw/zinc/58/42/81/434584281.db2.gz UPCVKHXCPFSUKL-RKVPGOIHSA-N 0 3 307.482 3.187 20 30 DGEDHN COc1cc(CN2CCSC[C@H]2C2CCC2)ccc1C#N ZINC000418126501 434596545 /nfs/dbraw/zinc/59/65/45/434596545.db2.gz LNFSDAOKFITDAK-INIZCTEOSA-N 0 3 302.443 3.284 20 30 DGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000369388838 434594037 /nfs/dbraw/zinc/59/40/37/434594037.db2.gz ISENGIGOLVKNOH-KRWDZBQOSA-N 0 3 307.397 3.033 20 30 DGEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424110646 434625534 /nfs/dbraw/zinc/62/55/34/434625534.db2.gz FEAMNMMDXCZKQM-SQNIBIBYSA-N 0 3 313.445 3.192 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C)c(C#N)c1C ZINC000459604636 434626956 /nfs/dbraw/zinc/62/69/56/434626956.db2.gz BXZRITNYCZWCRF-APPDUMDISA-N 0 3 303.406 3.265 20 30 DGEDHN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424122729 434627178 /nfs/dbraw/zinc/62/71/78/434627178.db2.gz JRGMWIASBUMXPE-GFCCVEGCSA-N 0 3 309.797 3.087 20 30 DGEDHN Cc1oc([N-]C(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C)c(C#N)c1C ZINC000459604638 434628218 /nfs/dbraw/zinc/62/82/18/434628218.db2.gz BXZRITNYCZWCRF-GTNSWQLSSA-N 0 3 303.406 3.265 20 30 DGEDHN CC(C)(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424129221 434630270 /nfs/dbraw/zinc/63/02/70/434630270.db2.gz XOCCTBHWRRGTFH-CABCVRRESA-N 0 3 323.387 3.189 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000424125412 434630532 /nfs/dbraw/zinc/63/05/32/434630532.db2.gz RACPTOUBMPZGPP-OAHLLOKOSA-N 0 3 319.836 3.247 20 30 DGEDHN CC(C)Cn1ccc2cc(NC(=O)[C@H](N)CCCC#N)ccc21 ZINC000424162520 434641771 /nfs/dbraw/zinc/64/17/71/434641771.db2.gz XAGXQAIKOGTBIZ-MRXNPFEDSA-N 0 3 312.417 3.257 20 30 DGEDHN CC(=O)N1CC[C@@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000371091047 434642566 /nfs/dbraw/zinc/64/25/66/434642566.db2.gz ZVWFOSRZVNJQDC-GOSISDBHSA-N 0 3 305.381 3.146 20 30 DGEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CCC1 ZINC000418136557 434601098 /nfs/dbraw/zinc/60/10/98/434601098.db2.gz CNTUAIHNNUSOEX-OAHLLOKOSA-N 0 3 302.418 3.308 20 30 DGEDHN CCC(CC)(CNCc1ccc(C#N)cc1Cl)C(=O)OC ZINC000439438221 434602423 /nfs/dbraw/zinc/60/24/23/434602423.db2.gz LPFBCMZQJLCNKA-UHFFFAOYSA-N 0 3 308.809 3.281 20 30 DGEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@H](CCC)NC(C)C ZINC000354072414 434602768 /nfs/dbraw/zinc/60/27/68/434602768.db2.gz QQNGHWUNTYTTLA-INIZCTEOSA-N 0 3 316.449 3.485 20 30 DGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)nc1 ZINC000459558390 434606793 /nfs/dbraw/zinc/60/67/93/434606793.db2.gz NMKRMXZDORFPTN-IBGZPJMESA-N 0 3 319.408 3.484 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000424189199 434652068 /nfs/dbraw/zinc/65/20/68/434652068.db2.gz LVHZFQWIUYHBMW-SFHVURJKSA-N 0 3 319.408 3.264 20 30 DGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)C1(c2ccccc2)CCCC1 ZINC000424196533 434652604 /nfs/dbraw/zinc/65/26/04/434652604.db2.gz ZXQRDOURZMJGFS-RDJZCZTQSA-N 0 3 313.445 3.024 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1ccccc1C(F)(F)F ZINC000439986789 434671108 /nfs/dbraw/zinc/67/11/08/434671108.db2.gz IRMCPPOPHVXXBW-MNOVXSKESA-N 0 3 314.307 3.139 20 30 DGEDHN C=C(C)COc1cc(CN[C@H]2CCO[C@@H]2C2CC2)ccc1OC ZINC000371343688 434673145 /nfs/dbraw/zinc/67/31/45/434673145.db2.gz HNNDPBKZYBILCP-QFBILLFUSA-N 0 3 317.429 3.307 20 30 DGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(C)cc1 ZINC000354237759 434683233 /nfs/dbraw/zinc/68/32/33/434683233.db2.gz KEHRODWFDXFXGO-UHFFFAOYSA-N 0 3 310.397 3.386 20 30 DGEDHN C=CCn1cc(CN[C@@H](C)C2CCC(C(F)(F)F)CC2)nn1 ZINC000424300651 434685747 /nfs/dbraw/zinc/68/57/47/434685747.db2.gz YISGZCTXCRMGJJ-HIFPTAJRSA-N 0 3 316.371 3.311 20 30 DGEDHN N#Cc1cccc(-c2nnc(CN(CC3CC3)CC3CC3)o2)c1 ZINC000440469798 434701391 /nfs/dbraw/zinc/70/13/91/434701391.db2.gz VXOYOFQQQWDZJF-UHFFFAOYSA-N 0 3 308.385 3.230 20 30 DGEDHN CN(CCNc1c(C#N)nnc2ccccc21)Cc1ccccc1 ZINC000354303937 434712482 /nfs/dbraw/zinc/71/24/82/434712482.db2.gz OHIJNPXGCLUVES-UHFFFAOYSA-N 0 3 317.396 3.045 20 30 DGEDHN C=CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000452775434 434712665 /nfs/dbraw/zinc/71/26/65/434712665.db2.gz HWAWOWQGGWQISH-UHFFFAOYSA-N 0 3 300.446 3.227 20 30 DGEDHN CC[C@@H]1OCC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000459782337 434719281 /nfs/dbraw/zinc/71/92/81/434719281.db2.gz UMQIBDSAWFMGMO-CABCVRRESA-N 0 3 313.319 3.094 20 30 DGEDHN C=CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000371621655 434734002 /nfs/dbraw/zinc/73/40/02/434734002.db2.gz JSRYGWKSAOWUBN-UHFFFAOYSA-N 0 3 312.457 3.323 20 30 DGEDHN N#CC1(CCN2CCC(O[C@H]3CCOC3)CC2)CCCCC1 ZINC000411338710 434766099 /nfs/dbraw/zinc/76/60/99/434766099.db2.gz XJFKCNSDCZNSNB-KRWDZBQOSA-N 0 3 306.450 3.120 20 30 DGEDHN C=C(C)Cn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)C ZINC000460367617 434756075 /nfs/dbraw/zinc/75/60/75/434756075.db2.gz BPNOWPRGDQAJBN-LSDHHAIUSA-N 0 3 319.497 3.071 20 30 DGEDHN CCC[C@@H]1CCCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419286690 434763715 /nfs/dbraw/zinc/76/37/15/434763715.db2.gz VNIKOJQUIIEQNL-BPQIPLTHSA-N 0 3 313.445 3.281 20 30 DGEDHN C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443522815 434779692 /nfs/dbraw/zinc/77/96/92/434779692.db2.gz NHXIJNGCASUDPE-NWDGAFQWSA-N 0 3 324.350 3.035 20 30 DGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443650695 434779729 /nfs/dbraw/zinc/77/97/29/434779729.db2.gz JAASEMZKQJEHRJ-OAGGEKHMSA-N 0 3 305.466 3.086 20 30 DGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419372885 434781704 /nfs/dbraw/zinc/78/17/04/434781704.db2.gz MXRIYXFBLTWDKG-QBPKDAKJSA-N 0 3 313.445 3.298 20 30 DGEDHN CC#CCN(C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411771500 434829034 /nfs/dbraw/zinc/82/90/34/434829034.db2.gz OQJQUMRRJYFTLG-UHFFFAOYSA-N 0 3 320.436 3.237 20 30 DGEDHN CCN(CCC(=O)Nc1sccc1C#N)Cc1occc1C ZINC000412037393 434858407 /nfs/dbraw/zinc/85/84/07/434858407.db2.gz IKKVFXFCTVZKKT-UHFFFAOYSA-N 0 3 317.414 3.372 20 30 DGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC(C)(C)C[C@H]1C ZINC000412038234 434859703 /nfs/dbraw/zinc/85/97/03/434859703.db2.gz ITTPRZUMGQGYOE-CVEARBPZSA-N 0 3 313.445 3.442 20 30 DGEDHN Cn1cc(CNCCOc2cccc(Cl)c2Cl)cc1C#N ZINC000573507956 434904905 /nfs/dbraw/zinc/90/49/05/434904905.db2.gz SLCSFSVJGOGZFE-UHFFFAOYSA-N 0 3 324.211 3.372 20 30 DGEDHN Cc1ccccc1OC[C@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000573708497 434919806 /nfs/dbraw/zinc/91/98/06/434919806.db2.gz VITXIOOKWDEVPW-RTBURBONSA-N 0 3 324.424 3.369 20 30 DGEDHN N#CCC[C@H](C#N)CNCCCC(=O)Nc1ccc(Cl)cc1 ZINC000573557019 434908114 /nfs/dbraw/zinc/90/81/14/434908114.db2.gz MWCJJPYJEBZMCB-CYBMUJFWSA-N 0 3 318.808 3.092 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCCC23CCCC3)CC1 ZINC000463316525 434953143 /nfs/dbraw/zinc/95/31/43/434953143.db2.gz QHCFAQHNJGMAIA-QGZVFWFLSA-N 0 3 319.493 3.439 20 30 DGEDHN C[C@@H](C(=O)N(CCN(C)C)c1ccccc1)c1cccc(C#N)c1 ZINC000463597240 434966450 /nfs/dbraw/zinc/96/64/50/434966450.db2.gz AGNMHLSYNKRFOP-MRXNPFEDSA-N 0 3 321.424 3.257 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H]2CCC[C@@H]2C1)C(C)C ZINC000465132217 435019738 /nfs/dbraw/zinc/01/97/38/435019738.db2.gz DDBHOFNTGSEKBS-KZNAEPCWSA-N 0 3 319.493 3.127 20 30 DGEDHN CO[C@@H](Cc1ccc(F)cc1)CN(C)Cc1cccc(C#N)c1 ZINC000528336360 435023490 /nfs/dbraw/zinc/02/34/90/435023490.db2.gz BDFLWCCQSILNTD-IBGZPJMESA-N 0 3 312.388 3.387 20 30 DGEDHN C=CCN(Cc1ccccc1)C(=O)C[C@@H](N)Cc1ccccc1 ZINC000575374902 435031575 /nfs/dbraw/zinc/03/15/75/435031575.db2.gz ZQZHFQMMPFASJL-IBGZPJMESA-N 0 3 308.425 3.161 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cnc3ccsc3c2)CC1 ZINC000525167231 435005458 /nfs/dbraw/zinc/00/54/58/435005458.db2.gz BMKYGQOODUUYAO-UHFFFAOYSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCNC(=O)CN(CCC)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000525126299 435006144 /nfs/dbraw/zinc/00/61/44/435006144.db2.gz WSFFJWIYJBXVOL-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN CC(C)(C)[C@H](NCC(=O)NC1(C#N)CCC1)c1cccc(F)c1 ZINC000527128606 435010315 /nfs/dbraw/zinc/01/03/15/435010315.db2.gz FZFHJYSPLBPPQB-MRXNPFEDSA-N 0 3 317.408 3.065 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000466403507 435074302 /nfs/dbraw/zinc/07/43/02/435074302.db2.gz FZUARUIQKKHBKX-KRWDZBQOSA-N 0 3 321.440 3.254 20 30 DGEDHN CC(C)(C)N1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000531199153 435078224 /nfs/dbraw/zinc/07/82/24/435078224.db2.gz OXDPRZWQJMILEC-UHFFFAOYSA-N 0 3 318.396 3.035 20 30 DGEDHN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000466044696 435057426 /nfs/dbraw/zinc/05/74/26/435057426.db2.gz UJKQIMSZIABUAA-WBVHZDCISA-N 0 3 307.482 3.247 20 30 DGEDHN C=CCCN(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000466926272 435101693 /nfs/dbraw/zinc/10/16/93/435101693.db2.gz JEWRASVTEAYNEO-QGZVFWFLSA-N 0 3 303.450 3.069 20 30 DGEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467202321 435110331 /nfs/dbraw/zinc/11/03/31/435110331.db2.gz PNUUENJMZBRIPH-RISCZKNCSA-N 0 3 305.809 3.271 20 30 DGEDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000467417303 435120767 /nfs/dbraw/zinc/12/07/67/435120767.db2.gz KIIISIAEFYJKJS-KDOFPFPSSA-N 0 3 312.388 3.260 20 30 DGEDHN N#Cc1cc(CNC2(c3ccccc3)CCOCC2)ccc1F ZINC000532709161 435187689 /nfs/dbraw/zinc/18/76/89/435187689.db2.gz QGLZJDOLGMWBAV-UHFFFAOYSA-N 0 3 310.372 3.493 20 30 DGEDHN C[C@@H]1CN(CCC(C)(C)C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494419451 435195743 /nfs/dbraw/zinc/19/57/43/435195743.db2.gz VDRZPFWODOCCKI-ZIAGYGMSSA-N 0 3 309.454 3.161 20 30 DGEDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCCCC(C)(C)C#N ZINC000495689632 435204120 /nfs/dbraw/zinc/20/41/20/435204120.db2.gz USRNUSPKNBJALQ-HNNXBMFYSA-N 0 3 309.454 3.259 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2ccc(F)c(F)c2n1 ZINC000639232706 435206522 /nfs/dbraw/zinc/20/65/22/435206522.db2.gz NPMVFQLTRJBFBX-CABCVRRESA-N 0 3 304.340 3.336 20 30 DGEDHN C[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000579552755 435163635 /nfs/dbraw/zinc/16/36/35/435163635.db2.gz DXQIPKFAPQYARE-RVKKMQEKSA-N 0 3 311.429 3.174 20 30 DGEDHN CC(C)(CCC#N)CN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000639267461 435220960 /nfs/dbraw/zinc/22/09/60/435220960.db2.gz REIIKZUMJOQEKS-IBGZPJMESA-N 0 3 312.413 3.426 20 30 DGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccccn2)cc1 ZINC000533347787 435229474 /nfs/dbraw/zinc/22/94/74/435229474.db2.gz IDFJGAGVFMDEDM-GOSISDBHSA-N 0 3 320.396 3.119 20 30 DGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccccn1 ZINC000533484174 435241584 /nfs/dbraw/zinc/24/15/84/435241584.db2.gz ACBQBQUYSCXOHY-SFHVURJKSA-N 0 3 320.396 3.119 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000477299238 435264435 /nfs/dbraw/zinc/26/44/35/435264435.db2.gz MDQWTEFVXLAHMA-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)nnn2C ZINC000507145182 435309135 /nfs/dbraw/zinc/30/91/35/435309135.db2.gz RGDAYUCYRMFZMX-UHFFFAOYSA-N 0 3 319.412 3.251 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCC(C)(C)C#N)[C@@H]2C1 ZINC000496949592 435275676 /nfs/dbraw/zinc/27/56/76/435275676.db2.gz MSQHLBOEGBYYFT-HUUCEWRRSA-N 0 3 321.465 3.258 20 30 DGEDHN CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(C)(C#N)CC2)C1 ZINC000496949334 435275904 /nfs/dbraw/zinc/27/59/04/435275904.db2.gz YGJYOXJMPXOERK-OAHLLOKOSA-N 0 3 321.465 3.259 20 30 DGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C1(CC)CC ZINC000584180491 435280944 /nfs/dbraw/zinc/28/09/44/435280944.db2.gz QBKJNTHXDXPWPX-IAGOWNOFSA-N 0 3 301.434 3.369 20 30 DGEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000496993372 435281015 /nfs/dbraw/zinc/28/10/15/435281015.db2.gz BQDFYZFOHQPYEJ-SQWLQELKSA-N 0 3 321.465 3.304 20 30 DGEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497133193 435299641 /nfs/dbraw/zinc/29/96/41/435299641.db2.gz QPVXNQWNBHRLON-INIZCTEOSA-N 0 3 321.465 3.450 20 30 DGEDHN C[C@H](N[C@H](COC(N)=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000497220105 435301853 /nfs/dbraw/zinc/30/18/53/435301853.db2.gz ILNSZIRUOCAWPI-KSSFIOAISA-N 0 3 323.396 3.330 20 30 DGEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000537088621 435423282 /nfs/dbraw/zinc/42/32/82/435423282.db2.gz QAVKBYMKRVAALU-FCEWJHQRSA-N 0 3 315.461 3.397 20 30 DGEDHN Cc1cc(NC[C@H](c2ccc(Cl)cc2)N(C)C)c(C#N)cn1 ZINC000515056035 435458517 /nfs/dbraw/zinc/45/85/17/435458517.db2.gz YZPKBBGMHFXXQT-QGZVFWFLSA-N 0 3 314.820 3.052 20 30 DGEDHN C[C@@H]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000482704734 435478336 /nfs/dbraw/zinc/47/83/36/435478336.db2.gz JQTMNZXLNNLKAM-OHQAAIJDSA-N 0 3 323.440 3.429 20 30 DGEDHN N#Cc1ccsc1NC(=O)CN[C@H](c1cccs1)C1CC1 ZINC000538266937 435488309 /nfs/dbraw/zinc/48/83/09/435488309.db2.gz RWBGXVZTASLRSN-AWEZNQCLSA-N 0 3 317.439 3.361 20 30 DGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000483094797 435493696 /nfs/dbraw/zinc/49/36/96/435493696.db2.gz FAAIUDDLEJVBAT-WBVHZDCISA-N 0 3 316.420 3.204 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000538367158 435495154 /nfs/dbraw/zinc/49/51/54/435495154.db2.gz AXNRGGPXHOHMEC-INIZCTEOSA-N 0 3 307.482 3.391 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483109692 435495922 /nfs/dbraw/zinc/49/59/22/435495922.db2.gz KENIVPHGEOSRAB-NVXWUHKLSA-N 0 3 318.436 3.428 20 30 DGEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000484539009 435547553 /nfs/dbraw/zinc/54/75/53/435547553.db2.gz ATFDXIYFAVDESS-CQSZACIVSA-N 0 3 318.383 3.218 20 30 DGEDHN C=CCN(CC(=O)NCc1ccccc1)CC1CCCCC1 ZINC000484545620 435549086 /nfs/dbraw/zinc/54/90/86/435549086.db2.gz VNVWATPXOROXSV-UHFFFAOYSA-N 0 3 300.446 3.371 20 30 DGEDHN C=C(C)[C@H](CO)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000649278354 435554602 /nfs/dbraw/zinc/55/46/02/435554602.db2.gz OFWLOTSRIVMLFG-SFHVURJKSA-N 0 3 300.402 3.143 20 30 DGEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000539480950 435555219 /nfs/dbraw/zinc/55/52/19/435555219.db2.gz OYDRDTSGFGLIQR-FUHWJXTLSA-N 0 3 319.832 3.403 20 30 DGEDHN C=C(C)[C@H](CO)N(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000649280286 435556811 /nfs/dbraw/zinc/55/68/11/435556811.db2.gz UEJIILSVIMJNFP-SFHVURJKSA-N 0 3 318.392 3.282 20 30 DGEDHN C=CCOCCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000645082780 435562080 /nfs/dbraw/zinc/56/20/80/435562080.db2.gz CZVKAUROKMXAHV-UHFFFAOYSA-N 0 3 313.401 3.119 20 30 DGEDHN CC(C)N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccn1 ZINC000570317495 435608872 /nfs/dbraw/zinc/60/88/72/435608872.db2.gz ZLJKIIYTBBJHDU-UHFFFAOYSA-N 0 3 322.412 3.192 20 30 DGEDHN CCCN(CCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000540686793 435611827 /nfs/dbraw/zinc/61/18/27/435611827.db2.gz BGXRIRFGSMUTMV-HNNXBMFYSA-N 0 3 302.418 3.478 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1CCC1CCCC1 ZINC000486809063 435614745 /nfs/dbraw/zinc/61/47/45/435614745.db2.gz NINOFJCYDIKIDM-HKUYNNGSSA-N 0 3 319.493 3.476 20 30 DGEDHN CCCCC[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000486791202 435615486 /nfs/dbraw/zinc/61/54/86/435615486.db2.gz LGQHJVSWZMNECI-SFHVURJKSA-N 0 3 313.445 3.219 20 30 DGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540886145 435622890 /nfs/dbraw/zinc/62/28/90/435622890.db2.gz MUYQTNUVUVGILN-QWHCGFSZSA-N 0 3 319.836 3.062 20 30 DGEDHN CC(C)[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCN1C ZINC000487069094 435623913 /nfs/dbraw/zinc/62/39/13/435623913.db2.gz SICDSBWZQVNZGR-HNNXBMFYSA-N 0 3 311.351 3.353 20 30 DGEDHN C=CCC[C@H](O)CN1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000570507522 435627174 /nfs/dbraw/zinc/62/71/74/435627174.db2.gz BOEFQBDWNQTYAK-YOEHRIQHSA-N 0 3 308.853 3.178 20 30 DGEDHN CC(C)N1CCN(CCCSc2cccc(F)c2C#N)CC1 ZINC000570270095 435605028 /nfs/dbraw/zinc/60/50/28/435605028.db2.gz ZJPFKJWVUIYHSA-UHFFFAOYSA-N 0 3 321.465 3.206 20 30 DGEDHN C[C@@H]1CN(c2c(F)cc(C#N)cc2F)CCN(C2CCC2)C1 ZINC000488762981 435643297 /nfs/dbraw/zinc/64/32/97/435643297.db2.gz DTIKKISQSQHJOV-LBPRGKRZSA-N 0 3 305.372 3.147 20 30 DGEDHN C=CCC1(CNC(=O)N(CCC)[C@@H]2CCN(C)C2)CCCC1 ZINC000645530985 435659335 /nfs/dbraw/zinc/65/93/35/435659335.db2.gz MUNGIYSBVNCPOE-MRXNPFEDSA-N 0 3 307.482 3.249 20 30 DGEDHN COc1cc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000490495761 435659455 /nfs/dbraw/zinc/65/94/55/435659455.db2.gz KZOKXCAPKGGHHX-WMLDXEAASA-N 0 3 323.396 3.040 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NCCN(C)CCCC ZINC000491051511 435698918 /nfs/dbraw/zinc/69/89/18/435698918.db2.gz JUBXXJUCSQICGW-UHFFFAOYSA-N 0 3 321.440 3.255 20 30 DGEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000491306031 435728651 /nfs/dbraw/zinc/72/86/51/435728651.db2.gz LJLQEXRILHDOPC-NWDGAFQWSA-N 0 3 312.335 3.424 20 30 DGEDHN CN(C)C(=O)C(C)(C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000571763340 435733747 /nfs/dbraw/zinc/73/37/47/435733747.db2.gz TVNCDERRVBMZEQ-UHFFFAOYSA-N 0 3 321.424 3.182 20 30 DGEDHN C=C(C)CN(CCCc1cncn1C)Cc1cnn(C(C)C)c1 ZINC000520248708 435734227 /nfs/dbraw/zinc/73/42/27/435734227.db2.gz IVGRDDQYPDVENW-UHFFFAOYSA-N 0 3 315.465 3.208 20 30 DGEDHN C=CCCC1(C(=O)N(C)CCCN(C)Cc2ccncc2)CC1 ZINC000571411149 435704822 /nfs/dbraw/zinc/70/48/22/435704822.db2.gz UKGVCBVVOVUCFF-UHFFFAOYSA-N 0 3 315.461 3.108 20 30 DGEDHN C#CCNC(=O)C1CCN([C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000491673889 435790000 /nfs/dbraw/zinc/79/00/00/435790000.db2.gz WIWFFMJTNKKBMO-QGZVFWFLSA-N 0 3 318.848 3.253 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C3CCC3)CC2)CC1 ZINC000660597281 435819525 /nfs/dbraw/zinc/81/95/25/435819525.db2.gz OBSAFUSTUJFPJV-UHFFFAOYSA-N 0 3 319.493 3.249 20 30 DGEDHN CCO[C@H]1C[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000571965592 435764060 /nfs/dbraw/zinc/76/40/60/435764060.db2.gz KAJGWQZXWGDIAG-UXHICEINSA-N 0 3 322.408 3.404 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000491546191 435768760 /nfs/dbraw/zinc/76/87/60/435768760.db2.gz KFMHTDQPLXIOLH-VOTSOKGWSA-N 0 3 304.821 3.120 20 30 DGEDHN C#C[C@H](NC1CCC(NC(C)=O)CC1)c1ccc(Cl)cc1 ZINC000491625010 435779255 /nfs/dbraw/zinc/77/92/55/435779255.db2.gz RCLBDQQMGJSTRT-JCYILVPMSA-N 0 3 304.821 3.051 20 30 DGEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000641939540 435845622 /nfs/dbraw/zinc/84/56/22/435845622.db2.gz JWPXCILSOANNTK-QGZVFWFLSA-N 0 3 303.446 3.398 20 30 DGEDHN C=CCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000660674818 435854227 /nfs/dbraw/zinc/85/42/27/435854227.db2.gz JULIXNHFMZIJCJ-OAHLLOKOSA-N 0 3 301.434 3.087 20 30 DGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C)cc1 ZINC000642104087 435860014 /nfs/dbraw/zinc/86/00/14/435860014.db2.gz QBRZVYVZQSACTB-LJQANCHMSA-N 0 3 311.425 3.423 20 30 DGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)C2CCCCC2)CC1 ZINC000660704381 435865614 /nfs/dbraw/zinc/86/56/14/435865614.db2.gz NOBOTEQAQKUATO-OAHLLOKOSA-N 0 3 307.482 3.152 20 30 DGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]4CCC[C@@H]43)C2=O)cc1 ZINC000572851906 435875083 /nfs/dbraw/zinc/87/50/83/435875083.db2.gz AUIIBSQUNMXEBB-NEWSRXKRSA-N 0 3 323.440 3.318 20 30 DGEDHN C=CCOc1cccc(CN[C@@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000652043959 435895900 /nfs/dbraw/zinc/89/59/00/435895900.db2.gz CUTSJWIFUQWLBU-GOSISDBHSA-N 0 3 324.424 3.117 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000652043960 435896115 /nfs/dbraw/zinc/89/61/15/435896115.db2.gz CUTSJWIFUQWLBU-SFHVURJKSA-N 0 3 324.424 3.117 20 30 DGEDHN C=CCc1cc(CN2CC[C@@]3(CC3(F)F)C2)cc(OC)c1O ZINC000652063654 435902535 /nfs/dbraw/zinc/90/25/35/435902535.db2.gz RBGZZKROZKTUIK-MRXNPFEDSA-N 0 3 309.356 3.360 20 30 DGEDHN C=CCN(CCC(=O)Nc1ccccc1Cl)[C@@H](C)COC ZINC000661242836 436007540 /nfs/dbraw/zinc/00/75/40/436007540.db2.gz GGKRDVGMNHAECG-ZDUSSCGKSA-N 0 3 310.825 3.192 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000661377293 436050013 /nfs/dbraw/zinc/05/00/13/436050013.db2.gz NUNQEKCHTHNMAC-CVEARBPZSA-N 0 3 316.445 3.161 20 30 DGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000661378274 436050408 /nfs/dbraw/zinc/05/04/08/436050408.db2.gz BMALSJHAFAOLTG-CABCVRRESA-N 0 3 318.486 3.309 20 30 DGEDHN C=CCCNC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000665945107 436102846 /nfs/dbraw/zinc/10/28/46/436102846.db2.gz AFLOIGHCRVPAIJ-SJLPKXTDSA-N 0 3 315.461 3.430 20 30 DGEDHN C=CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000661569537 436110621 /nfs/dbraw/zinc/11/06/21/436110621.db2.gz AXWLTRPCEKBZMD-KRWDZBQOSA-N 0 3 301.434 3.007 20 30 DGEDHN C=CCOc1ccc(CNCc2ccc(CNC(C)=O)cc2)cc1 ZINC000657541286 436239743 /nfs/dbraw/zinc/23/97/43/436239743.db2.gz MUFYKTPJJNRBSN-UHFFFAOYSA-N 0 3 324.424 3.177 20 30 DGEDHN C=CCCn1cc(CNC[C@@]2(C)CCCc3ccccc32)nn1 ZINC000657426373 436194550 /nfs/dbraw/zinc/19/45/50/436194550.db2.gz BWHQULXQOPTDJY-LJQANCHMSA-N 0 3 310.445 3.238 20 30 DGEDHN C=CCC1(NCC(=O)Nc2nnc(CC(C)C)s2)CCCC1 ZINC000661852550 436212675 /nfs/dbraw/zinc/21/26/75/436212675.db2.gz YHVNWLIESSARHP-UHFFFAOYSA-N 0 3 322.478 3.154 20 30 DGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H]2CCCCO2)CC1 ZINC000661870563 436217507 /nfs/dbraw/zinc/21/75/07/436217507.db2.gz JSKFPOGLJZRLSO-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCn1cc(CNC2(Cc3ccccc3)CCCC2)nn1 ZINC000653617075 436224724 /nfs/dbraw/zinc/22/47/24/436224724.db2.gz VYMBGTIHAJQJRJ-UHFFFAOYSA-N 0 3 310.445 3.499 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H]1CCCc2ccccc21 ZINC000662080658 436268366 /nfs/dbraw/zinc/26/83/66/436268366.db2.gz PREMCIBIIHIXEP-SCTDSRPQSA-N 0 3 310.441 3.363 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OCC(F)(F)F)nn1 ZINC000662088408 436269690 /nfs/dbraw/zinc/26/96/90/436269690.db2.gz DPUVCEXUHZJXIJ-BETUJISGSA-N 0 3 313.323 3.101 20 30 DGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000662085685 436269798 /nfs/dbraw/zinc/26/97/98/436269798.db2.gz IRZYVCILVCQLAP-GASCZTMLSA-N 0 3 315.804 3.031 20 30 DGEDHN C=CCOCCCNCc1cnn(Cc2ccccc2Cl)c1 ZINC000657658022 436270078 /nfs/dbraw/zinc/27/00/78/436270078.db2.gz JANWJYROQIOTSN-UHFFFAOYSA-N 0 3 319.836 3.267 20 30 DGEDHN C=CCOCCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000657657751 436270637 /nfs/dbraw/zinc/27/06/37/436270637.db2.gz AVSUXRAASIFZEI-UHFFFAOYSA-N 0 3 305.809 3.208 20 30 DGEDHN C=CCOCCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000657659197 436271152 /nfs/dbraw/zinc/27/11/52/436271152.db2.gz QUIKQHBUSDKOFU-UHFFFAOYSA-N 0 3 303.381 3.002 20 30 DGEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H](O)C23CCC3)ccc1OC ZINC000657702139 436281731 /nfs/dbraw/zinc/28/17/31/436281731.db2.gz CUZDANZDHOEMFC-ZWKOTPCHSA-N 0 3 317.429 3.043 20 30 DGEDHN C=C(C)COc1cc(CN[C@H]2C[C@H](O)C23CCC3)ccc1OC ZINC000657702138 436282210 /nfs/dbraw/zinc/28/22/10/436282210.db2.gz CUZDANZDHOEMFC-ROUUACIJSA-N 0 3 317.429 3.043 20 30 DGEDHN C=CCc1cc(CNC[C@@H](OC)C2CCCC2)cc(OC)c1O ZINC000657765349 436298545 /nfs/dbraw/zinc/29/85/45/436298545.db2.gz BHEQVARXPPDJEN-GOSISDBHSA-N 0 3 319.445 3.424 20 30 DGEDHN C=CC[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccccc1 ZINC000657850725 436326407 /nfs/dbraw/zinc/32/64/07/436326407.db2.gz LAHMVOABJCLEQY-RDJZCZTQSA-N 0 3 307.459 3.185 20 30 DGEDHN C=CCOCCCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000658210068 436401029 /nfs/dbraw/zinc/40/10/29/436401029.db2.gz NQTRRMXIMRXZHH-GFCCVEGCSA-N 0 3 307.825 3.470 20 30 DGEDHN C=C[C@H](CO)N[C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000658335044 436433020 /nfs/dbraw/zinc/43/30/20/436433020.db2.gz ZYPMOEKXHDWTPQ-GXSJLCMTSA-N 0 3 307.743 3.426 20 30 DGEDHN C=C[C@H](CO)N[C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000658334556 436433207 /nfs/dbraw/zinc/43/32/07/436433207.db2.gz MRAFHMQXVWSOLB-RISCZKNCSA-N 0 3 310.235 3.308 20 30 DGEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000663415796 436456937 /nfs/dbraw/zinc/45/69/37/436456937.db2.gz IDNKMHZNUPVQPA-WMZOPIPTSA-N 0 3 315.461 3.287 20 30 DGEDHN C=CCN(CC=C)[C@H](CN[C@@H]1CCCn2ccnc21)C(C)C ZINC000655688277 436574348 /nfs/dbraw/zinc/57/43/48/436574348.db2.gz UQTVMPLBRLAXHM-IAGOWNOFSA-N 0 3 302.466 3.006 20 30 DGEDHN C=CCN(CC=C)[C@@H](CN[C@@H]1CCCn2ccnc21)C(C)C ZINC000655688279 436574941 /nfs/dbraw/zinc/57/49/41/436574941.db2.gz UQTVMPLBRLAXHM-SJORKVTESA-N 0 3 302.466 3.006 20 30 DGEDHN C=CCCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000660256838 436615251 /nfs/dbraw/zinc/61/52/51/436615251.db2.gz LAYDIQLQDXFOJG-UHFFFAOYSA-N 0 3 301.434 3.048 20 30 DGEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000664542187 436615402 /nfs/dbraw/zinc/61/54/02/436615402.db2.gz UJOHZSGSRCONRW-DLBZAZTESA-N 0 3 315.461 3.476 20 30 DGEDHN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424180446 302114923 /nfs/dbraw/zinc/11/49/23/302114923.db2.gz OIYZHOQAKIPIGK-IAGOWNOFSA-N 0 3 301.434 3.172 20 30 DGEDHN COc1cccc(O[C@@H](C)CNCc2cc(C#N)cs2)c1 ZINC000177706965 312783480 /nfs/dbraw/zinc/78/34/80/312783480.db2.gz QWPBHYURMGXZCZ-LBPRGKRZSA-N 0 3 302.399 3.185 20 30 DGEDHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961693 314166288 /nfs/dbraw/zinc/16/62/88/314166288.db2.gz RCYJAXZGXGWZHR-UONOGXRCSA-N 0 3 307.397 3.140 20 30 DGEDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(C#N)c(F)c1 ZINC000548054446 314415656 /nfs/dbraw/zinc/41/56/56/314415656.db2.gz ADMYMOYMGQSQEC-GFCCVEGCSA-N 0 3 313.332 3.499 20 30 DGEDHN Cc1cc(CNC[C@H](c2ccc(F)cc2)N(C)C)ccc1C#N ZINC000443978316 533701650 /nfs/dbraw/zinc/70/16/50/533701650.db2.gz HGZBKUBLBHCWPA-LJQANCHMSA-N 0 3 311.404 3.398 20 30 DGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(C#N)cn1 ZINC000562925336 315061682 /nfs/dbraw/zinc/06/16/82/315061682.db2.gz WRNUTKPYBKCOAP-QGZVFWFLSA-N 0 3 320.440 3.050 20 30 DGEDHN N#Cc1ccccc1CSCCNCc1ccc2c(n1)CCC2 ZINC000566723827 315370121 /nfs/dbraw/zinc/37/01/21/315370121.db2.gz SAEMXBZULAFXHE-UHFFFAOYSA-N 0 3 323.465 3.465 20 30 DGEDHN COc1ccc2c(c1)OC[C@H](NC1(c3cccc(C#N)c3)CC1)C2 ZINC000569077365 315556156 /nfs/dbraw/zinc/55/61/56/315556156.db2.gz FQNVEXHSWBIIBR-QGZVFWFLSA-N 0 3 320.392 3.149 20 30 DGEDHN CN(C)[C@H](CNc1ncc2c(c1C#N)CCC2)c1ccccc1 ZINC000574447287 315967073 /nfs/dbraw/zinc/96/70/73/315967073.db2.gz BMHGXYUHEYYOAE-GOSISDBHSA-N 0 3 306.413 3.157 20 30 DGEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000577974004 316290638 /nfs/dbraw/zinc/29/06/38/316290638.db2.gz ZHLHZYGQGRXUCJ-OALUTQOASA-N 0 3 306.409 3.474 20 30 DGEDHN C[C@@H](NCCN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181434573 323254141 /nfs/dbraw/zinc/25/41/41/323254141.db2.gz SYVQAQRHPSBAFW-MRXNPFEDSA-N 0 3 305.425 3.267 20 30 DGEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000181771206 323268741 /nfs/dbraw/zinc/26/87/41/323268741.db2.gz FGFVZWCYVWIARA-OAHLLOKOSA-N 0 3 321.424 3.453 20 30 DGEDHN C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000181856513 323272304 /nfs/dbraw/zinc/27/23/04/323272304.db2.gz UWKYBASYCQBVAT-OAHLLOKOSA-N 0 3 311.404 3.480 20 30 DGEDHN COc1ccc(C#N)cc1CN(C)C[C@@H](C)c1nccs1 ZINC000183957158 323351645 /nfs/dbraw/zinc/35/16/45/323351645.db2.gz PGCBPHWPYCJIQQ-GFCCVEGCSA-N 0 3 301.415 3.259 20 30 DGEDHN C[C@H]1C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)CO1 ZINC000580430704 323996997 /nfs/dbraw/zinc/99/69/97/323996997.db2.gz RKBBUCHUBANDOD-KXBFYZLASA-N 0 3 322.408 3.404 20 30 DGEDHN CC(C)N(CC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581231080 324091438 /nfs/dbraw/zinc/09/14/38/324091438.db2.gz NJXZDQNPCJXZIJ-SFHVURJKSA-N 0 3 311.429 3.174 20 30 DGEDHN N#Cc1ccc(NC(=O)CN(CC2CC2)C2CCC2)cc1Cl ZINC000582395518 324224240 /nfs/dbraw/zinc/22/42/40/324224240.db2.gz ZDZFQAYJIRHCKJ-UHFFFAOYSA-N 0 3 317.820 3.415 20 30 DGEDHN Cn1cc(CCNC[C@@H](C#N)CCC#N)c2ccc(Cl)cc21 ZINC000574954703 332878484 /nfs/dbraw/zinc/87/84/84/332878484.db2.gz BAPWBZKXHGBVRH-CYBMUJFWSA-N 0 3 314.820 3.407 20 30 DGEDHN C=C(C)CN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000180450051 331569535 /nfs/dbraw/zinc/56/95/35/331569535.db2.gz RYMZLLKSGUPSDX-QGZVFWFLSA-N 0 3 301.434 3.041 20 30 DGEDHN C=CCC[C@H](NC[C@H](O)COc1ccccc1)c1ccco1 ZINC000556865314 331744153 /nfs/dbraw/zinc/74/41/53/331744153.db2.gz AACTUOUEAVMAKX-RDJZCZTQSA-N 0 3 301.386 3.316 20 30 DGEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518410394 332028558 /nfs/dbraw/zinc/02/85/58/332028558.db2.gz QCIOTPQNLLZWOJ-AEFFLSMTSA-N 0 3 313.445 3.206 20 30 DGEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CC23CCOCC3)cc1 ZINC000562499068 332598989 /nfs/dbraw/zinc/59/89/89/332598989.db2.gz WDBZWOHDNUQAJS-WMZOPIPTSA-N 0 3 314.429 3.446 20 30 DGEDHN CC(C)(C#N)c1ccccc1CN1CCC(C2OCCO2)CC1 ZINC000135173878 332616212 /nfs/dbraw/zinc/61/62/12/332616212.db2.gz SNBCNCOTLWOVTK-UHFFFAOYSA-N 0 3 314.429 3.073 20 30 DGEDHN CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000562729144 332620133 /nfs/dbraw/zinc/62/01/33/332620133.db2.gz GFPACPVNZYBMMF-IBGZPJMESA-N 0 3 311.429 3.095 20 30 DGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC2(C1)CCCCCC2 ZINC000526055702 333058135 /nfs/dbraw/zinc/05/81/35/333058135.db2.gz QDIBSWMJOIOMTM-MRXNPFEDSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000182170315 333151820 /nfs/dbraw/zinc/15/18/20/333151820.db2.gz VFSCJDGSWLEWOQ-QGZVFWFLSA-N 0 3 301.434 3.041 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000497244384 333226828 /nfs/dbraw/zinc/22/68/28/333226828.db2.gz JBUFNBVEIFBTMT-HIFRSBDPSA-N 0 3 307.438 3.010 20 30 DGEDHN C=C(CC)CN[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497290148 333231873 /nfs/dbraw/zinc/23/18/73/333231873.db2.gz SGVOCTOMBYTALH-ZDUSSCGKSA-N 0 3 305.422 3.467 20 30 DGEDHN N#CCCOCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000293493563 334198314 /nfs/dbraw/zinc/19/83/14/334198314.db2.gz NGSDQAYCKBHABB-UHFFFAOYSA-N 0 3 315.442 3.406 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000303217226 334304702 /nfs/dbraw/zinc/30/47/02/334304702.db2.gz TXQGFKSFXIQUDS-LJQANCHMSA-N 0 3 312.457 3.457 20 30 DGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](CC)Cc1ccccc1 ZINC000303932657 334346207 /nfs/dbraw/zinc/34/62/07/334346207.db2.gz QYZIAAPVZHBJBZ-GOSISDBHSA-N 0 3 302.462 3.364 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ccc2C)CC1 ZINC000122033951 334372130 /nfs/dbraw/zinc/37/21/30/334372130.db2.gz DXFLSNZSYSGOAB-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN N#CCCC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000583497424 335616788 /nfs/dbraw/zinc/61/67/88/335616788.db2.gz NKXURNFFBZSHMJ-INIZCTEOSA-N 0 3 322.836 3.095 20 30 DGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CCC)CC1 ZINC000520710460 336033482 /nfs/dbraw/zinc/03/34/82/336033482.db2.gz UTTOEECRPNLLJV-DOTOQJQBSA-N 0 3 307.482 3.295 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(C)(C)OC ZINC000532640979 336264488 /nfs/dbraw/zinc/26/44/88/336264488.db2.gz KANZOYHKVHIRHC-CQSZACIVSA-N 0 3 324.490 3.008 20 30 DGEDHN C[C@@H](CN1CCCCC1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000354411843 336469915 /nfs/dbraw/zinc/46/99/15/336469915.db2.gz ZPTNMSVJGPUVIO-FUHWJXTLSA-N 0 3 313.445 3.065 20 30 DGEDHN COc1ccc(CN[C@]2(C)CCCOC2)cc1OCCCC#N ZINC000357339736 336581461 /nfs/dbraw/zinc/58/14/61/336581461.db2.gz BWWHIKXDDSBKRM-GOSISDBHSA-N 0 3 318.417 3.036 20 30 DGEDHN CC(C)(CCC#N)CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000375285692 337007177 /nfs/dbraw/zinc/00/71/77/337007177.db2.gz FEKRFVICQCPRCC-UHFFFAOYSA-N 0 3 322.840 3.303 20 30 DGEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000171695353 337088368 /nfs/dbraw/zinc/08/83/68/337088368.db2.gz WRCWCWKOYVNXCB-CQSZACIVSA-N 0 3 319.424 3.006 20 30 DGEDHN C=CCN1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000176244254 337149653 /nfs/dbraw/zinc/14/96/53/337149653.db2.gz IUSGSHLBSZHAGW-UHFFFAOYSA-N 0 3 313.228 3.374 20 30 DGEDHN C=CCOc1ccccc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000514674874 337257143 /nfs/dbraw/zinc/25/71/43/337257143.db2.gz IFFWJEPTDCUJNJ-OAHLLOKOSA-N 0 3 316.445 3.054 20 30 DGEDHN C=CCN(CCc1ccccc1)C(=O)[C@H]1CNCc2ccccc21 ZINC000572153221 337593983 /nfs/dbraw/zinc/59/39/83/337593983.db2.gz KCVBRUIKKWOVJN-FQEVSTJZSA-N 0 3 320.436 3.131 20 30 DGEDHN CN(C)C[C@@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000527244294 337739825 /nfs/dbraw/zinc/73/98/25/337739825.db2.gz LJDHMMCTZGLGSA-MSOLQXFVSA-N 0 3 313.445 3.017 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccccc1)C(C)C ZINC000503442424 340128416 /nfs/dbraw/zinc/12/84/16/340128416.db2.gz RMIAREZFTJQSDP-GOSISDBHSA-N 0 3 315.461 3.184 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000505040260 340159649 /nfs/dbraw/zinc/15/96/49/340159649.db2.gz UCAKQOZOOGXECH-AEFFLSMTSA-N 0 3 313.445 3.363 20 30 DGEDHN C=CCN(CC=C)C(=O)CN1CCC(C)(c2ccccc2)CC1 ZINC000510770685 340310420 /nfs/dbraw/zinc/31/04/20/340310420.db2.gz QAXVSVJFAGCMDU-UHFFFAOYSA-N 0 3 312.457 3.241 20 30 DGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511092599 340320475 /nfs/dbraw/zinc/32/04/75/340320475.db2.gz OVUGSHJMVXCJNX-AWEZNQCLSA-N 0 3 317.351 3.387 20 30 DGEDHN C=CCOc1cccc(CN[C@@H](CO)Cc2ccc(C)cc2)c1 ZINC000188988362 340524046 /nfs/dbraw/zinc/52/40/46/340524046.db2.gz ZLIQQBHBKUORSD-LJQANCHMSA-N 0 3 311.425 3.253 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1CC)C(C)C ZINC000522075932 340569420 /nfs/dbraw/zinc/56/94/20/340569420.db2.gz XACOMRVWKYGJOB-IAGOWNOFSA-N 0 3 307.482 3.269 20 30 DGEDHN CCCOc1ccc(OCCN2CCC(CC#N)CC2)cc1 ZINC000542881306 341025070 /nfs/dbraw/zinc/02/50/70/341025070.db2.gz DGGHZCVDSAKPSV-UHFFFAOYSA-N 0 3 302.418 3.480 20 30 DGEDHN C=CCOc1cccc(CNC[C@H](O)CCc2ccccc2)c1 ZINC000543242175 341037672 /nfs/dbraw/zinc/03/76/72/341037672.db2.gz DJWIBDSIYDMKQH-LJQANCHMSA-N 0 3 311.425 3.335 20 30 DGEDHN CN(CCC#N)C(=O)CCNC(c1ccccc1)c1ccccc1 ZINC000131807434 341112044 /nfs/dbraw/zinc/11/20/44/341112044.db2.gz SLCZBBGEBRTDTJ-UHFFFAOYSA-N 0 3 321.424 3.128 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@](C)(CCC)C2)CC1 ZINC000074132388 341129539 /nfs/dbraw/zinc/12/95/39/341129539.db2.gz RFDWOQMNLWSQGP-GOSISDBHSA-N 0 3 307.482 3.249 20 30 DGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](CO)C(C)(C)C ZINC000134435352 341215224 /nfs/dbraw/zinc/21/52/24/341215224.db2.gz PPXLLAWQEPMADZ-HNNXBMFYSA-N 0 3 313.363 3.396 20 30 DGEDHN C=C(C)COCCNCc1ccc(OCc2ccncc2)cc1 ZINC000134504374 341216546 /nfs/dbraw/zinc/21/65/46/341216546.db2.gz NQPNWQZRVQCZPH-UHFFFAOYSA-N 0 3 312.413 3.343 20 30 DGEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000247751217 341370157 /nfs/dbraw/zinc/37/01/57/341370157.db2.gz ZCAYBAJXTPTYCF-HUUCEWRRSA-N 0 3 319.424 3.439 20 30 DGEDHN C#CCN(C[C@H]1CC2(CCC2)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000248890437 341389612 /nfs/dbraw/zinc/38/96/12/341389612.db2.gz SAMBGHQJLHWUDR-AEFFLSMTSA-N 0 3 309.409 3.095 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000552538208 341397972 /nfs/dbraw/zinc/39/79/72/341397972.db2.gz OZJNQIKOQBDSDS-DOTOQJQBSA-N 0 3 300.446 3.368 20 30 DGEDHN C=C[C@H](CC(=O)N1C[C@@H](N)Cc2ccccc21)c1ccccc1 ZINC000565604785 341532557 /nfs/dbraw/zinc/53/25/57/341532557.db2.gz YCNBWKSEVRBWAG-QAPCUYQASA-N 0 3 306.409 3.263 20 30 DGEDHN CC(C)(C#N)CCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000157777406 341645409 /nfs/dbraw/zinc/64/54/09/341645409.db2.gz GUEUYJMLFARMRF-UHFFFAOYSA-N 0 3 320.481 3.023 20 30 DGEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2ccc(Cl)cc12 ZINC000573283106 341723531 /nfs/dbraw/zinc/72/35/31/341723531.db2.gz MSLABTIIXTXWGF-LBPRGKRZSA-N 0 3 300.793 3.397 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000576350833 341841859 /nfs/dbraw/zinc/84/18/59/341841859.db2.gz OSYSOWZXFXWGNN-JXFKEZNVSA-N 0 3 320.436 3.350 20 30 DGEDHN COc1cc(CN(C)Cc2ccc(CC#N)cc2)cc(OC)c1 ZINC000342754204 533788977 /nfs/dbraw/zinc/78/89/77/533788977.db2.gz QCSHCICYCRCAAD-UHFFFAOYSA-N 0 3 310.397 3.402 20 30 DGEDHN Cc1c(Cl)cccc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000331215988 533876033 /nfs/dbraw/zinc/87/60/33/533876033.db2.gz VOVXTHFHZPOUIX-AWEZNQCLSA-N 0 3 324.852 3.046 20 30 DGEDHN C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000444668503 533924957 /nfs/dbraw/zinc/92/49/57/533924957.db2.gz DUMXFBVUBWVICL-PXNSSMCTSA-N 0 3 320.436 3.199 20 30 DGEDHN C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)N(C)C ZINC000337601489 533997800 /nfs/dbraw/zinc/99/78/00/533997800.db2.gz NIRZMBZEECQXDA-INIZCTEOSA-N 0 3 321.424 3.158 20 30 DGEDHN COc1ccccc1CN(CCCCC#N)C[C@@H]1CCCO1 ZINC000160967804 534063498 /nfs/dbraw/zinc/06/34/98/534063498.db2.gz IJGRLYLYPPWICQ-KRWDZBQOSA-N 0 3 302.418 3.370 20 30 DGEDHN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000132329135 534091612 /nfs/dbraw/zinc/09/16/12/534091612.db2.gz FKNGAGVBCIVUDQ-RDJZCZTQSA-N 0 3 313.445 3.048 20 30 DGEDHN C[C@H](c1cccnc1)N(C)CC#CCN(C)[C@@H](C)c1cccnc1 ZINC000351180771 534147182 /nfs/dbraw/zinc/14/71/82/534147182.db2.gz HFZAFRKQAXRWHK-HDICACEKSA-N 0 3 322.456 3.166 20 30 DGEDHN Cc1cc2sc(=NC(=O)NC[C@@H](C)N(C)C)[nH]c2cc1F ZINC000331253431 534151007 /nfs/dbraw/zinc/15/10/07/534151007.db2.gz VJIDUBMVBCTUIN-SECBINFHSA-N 0 3 310.398 3.020 20 30 DGEDHN COc1ccc(OC(F)F)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185857046 534219008 /nfs/dbraw/zinc/21/90/08/534219008.db2.gz ISLQLVZCUKUZCG-DGCLKSJQSA-N 0 3 310.344 3.469 20 30 DGEDHN C[C@@H]1[C@H](C)SCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433344586 534253368 /nfs/dbraw/zinc/25/33/68/534253368.db2.gz SKKNFKZFMSHTDU-YCPHGPKFSA-N 0 3 302.443 3.111 20 30 DGEDHN Cc1noc(C2(C)CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000442903698 534386054 /nfs/dbraw/zinc/38/60/54/534386054.db2.gz TYRDECOQDJVNAA-ZDUSSCGKSA-N 0 3 310.401 3.364 20 30 DGEDHN C=C(CC)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000455523186 534408454 /nfs/dbraw/zinc/40/84/54/534408454.db2.gz NUIFCFNHGLHYGT-KRWDZBQOSA-N 0 3 301.434 3.089 20 30 DGEDHN C=C(CC)CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000454307877 534409757 /nfs/dbraw/zinc/40/97/57/534409757.db2.gz CTYBJEGZBFVEPB-UHFFFAOYSA-N 0 3 315.461 3.225 20 30 DGEDHN C=CCc1cc(CN[C@H](C)[C@H](OC)C2CC2)cc(OC)c1O ZINC000449625013 534419242 /nfs/dbraw/zinc/41/92/42/534419242.db2.gz AMEAATBDVUFJEG-XIKOKIGWSA-N 0 3 305.418 3.032 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000489051606 534471510 /nfs/dbraw/zinc/47/15/10/534471510.db2.gz NDKPUGATIYKNMC-FUHWJXTLSA-N 0 3 323.440 3.239 20 30 DGEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000489054602 534472389 /nfs/dbraw/zinc/47/23/89/534472389.db2.gz QCLWQTUTUIXFMZ-WMZOPIPTSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000458810026 534545558 /nfs/dbraw/zinc/54/55/58/534545558.db2.gz LTDJTEVFXRKMJS-UHFFFAOYSA-N 0 3 323.506 3.424 20 30 DGEDHN C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000488697978 534551427 /nfs/dbraw/zinc/55/14/27/534551427.db2.gz APNUAHHRXZQMHA-MRXNPFEDSA-N 0 3 301.434 3.363 20 30 DGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Br)ccc1F ZINC000449546951 534573016 /nfs/dbraw/zinc/57/30/16/534573016.db2.gz FXYLMNLSNXWIMA-KGLIPLIRSA-N 0 3 314.198 3.411 20 30 DGEDHN N#CC1(c2ccccc2)CC(NCCc2ccc(Cl)nc2)C1 ZINC000127723614 534577648 /nfs/dbraw/zinc/57/76/48/534577648.db2.gz GTTZMVFBZWIBRG-UHFFFAOYSA-N 0 3 311.816 3.491 20 30 DGEDHN C=CCC1(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CCCC1 ZINC000459057898 534599853 /nfs/dbraw/zinc/59/98/53/534599853.db2.gz ZBTGWWOPCGLZLL-IRXDYDNUSA-N 0 3 319.493 3.249 20 30 DGEDHN Cc1cccc(C(C)(C)NCC(=O)NC2(C#N)CCCCC2)c1 ZINC000179596274 534637154 /nfs/dbraw/zinc/63/71/54/534637154.db2.gz YXXCDKFRCHWOGZ-UHFFFAOYSA-N 0 3 313.445 3.162 20 30 DGEDHN Cc1cccc(C)c1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428770118 534666855 /nfs/dbraw/zinc/66/68/55/534666855.db2.gz DLCRMFQIFOKQNQ-QGZVFWFLSA-N 0 3 307.397 3.223 20 30 DGEDHN C=CCCCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000472763415 534685792 /nfs/dbraw/zinc/68/57/92/534685792.db2.gz ANKMHNDORQVTFE-AEFFLSMTSA-N 0 3 315.461 3.162 20 30 DGEDHN N#CCSCCCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347334924 534704560 /nfs/dbraw/zinc/70/45/60/534704560.db2.gz JHEKJRKIKUMZGR-CABCVRRESA-N 0 3 322.499 3.134 20 30 DGEDHN N#CCSCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130404182 534704691 /nfs/dbraw/zinc/70/46/91/534704691.db2.gz FFENEEVJBNYJKB-UHFFFAOYSA-N 0 3 305.403 3.206 20 30 DGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000185830524 534749108 /nfs/dbraw/zinc/74/91/08/534749108.db2.gz REXBTZVDXVYMOD-GUTXKFCHSA-N 0 3 317.820 3.117 20 30 DGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)Cc1ccc(F)cc1 ZINC000338933517 526346120 /nfs/dbraw/zinc/34/61/20/526346120.db2.gz LAPWRMBJPHXFKJ-HXUWFJFHSA-N 0 3 324.399 3.289 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(O[C@H](C)CC)cc2)CC1 ZINC000176285600 526447578 /nfs/dbraw/zinc/44/75/78/526447578.db2.gz NICKEJUIBKBNNX-OAHLLOKOSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c3ccccc23)CC1 ZINC000171722802 526448559 /nfs/dbraw/zinc/44/85/59/526448559.db2.gz GGNHSIJJPHHLSH-UHFFFAOYSA-N 0 3 324.424 3.229 20 30 DGEDHN C=CCN1CC[C@@H](N(Cc2ccc(OCC)cc2)C(C)C)C1=O ZINC000337123572 526475053 /nfs/dbraw/zinc/47/50/53/526475053.db2.gz CGDCOMASYOOAMR-GOSISDBHSA-N 0 3 316.445 3.083 20 30 DGEDHN C=C(C)CN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000180629763 526485708 /nfs/dbraw/zinc/48/57/08/526485708.db2.gz XZZNCTIGDNDYKC-UHFFFAOYSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN1CC[C@H](N(C)CCc2cccc3ccccc32)C1=O ZINC000337137721 526500491 /nfs/dbraw/zinc/50/04/91/526500491.db2.gz OLRLXZNGGNWXHE-IBGZPJMESA-N 0 3 308.425 3.101 20 30 DGEDHN C=C(C)CN(C)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000348133430 526501989 /nfs/dbraw/zinc/50/19/89/526501989.db2.gz LTWGZWMYQAECRW-UHFFFAOYSA-N 0 3 315.360 3.356 20 30 DGEDHN C=CCN1CC[C@H](N(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)C1=O ZINC000343598949 526503158 /nfs/dbraw/zinc/50/31/58/526503158.db2.gz GHBGMEHYMPHGDY-CMKODMSKSA-N 0 3 312.457 3.216 20 30 DGEDHN C=CCNC(=O)CN[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414113964 526573138 /nfs/dbraw/zinc/57/31/38/526573138.db2.gz SPTLWXFZEQXHRM-HOCLYGCPSA-N 0 3 306.837 3.258 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)C(C2CCC2)C2CCC2)CC1 ZINC000352273333 526580556 /nfs/dbraw/zinc/58/05/56/526580556.db2.gz LVXUEJWXELAGCR-UHFFFAOYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2cccs2)CC1 ZINC000106275181 526583839 /nfs/dbraw/zinc/58/38/39/526583839.db2.gz UISJJRYTUQILLP-AWEZNQCLSA-N 0 3 321.490 3.491 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cc(C)ccc3n2)CC1 ZINC000339999262 526599910 /nfs/dbraw/zinc/59/99/10/526599910.db2.gz KCKGABUNYGEMKB-UHFFFAOYSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)c(SC)c2)CC1 ZINC000162140710 526600313 /nfs/dbraw/zinc/60/03/13/526600313.db2.gz NWESXIWUYOFZCN-UHFFFAOYSA-N 0 3 322.449 3.318 20 30 DGEDHN C=C(C)CN1CCC(NCc2cnc(C(F)(F)F)s2)CC1 ZINC000443958479 526604515 /nfs/dbraw/zinc/60/45/15/526604515.db2.gz LADKVKWLEIJQBW-UHFFFAOYSA-N 0 3 319.396 3.292 20 30 DGEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000352224174 526623433 /nfs/dbraw/zinc/62/34/33/526623433.db2.gz ZMUVWCZOENHSCJ-APWZRJJASA-N 0 3 300.446 3.121 20 30 DGEDHN C=C(C)COCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433289862 526655648 /nfs/dbraw/zinc/65/56/48/526655648.db2.gz RIMVGRYKKOXJKB-MRXNPFEDSA-N 0 3 304.390 3.500 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@H](C)N(C)[C@@H](C)C2)ccc1OC ZINC000354438383 526661749 /nfs/dbraw/zinc/66/17/49/526661749.db2.gz FAASGIBVVQTHSK-HOTGVXAUSA-N 0 3 318.461 3.175 20 30 DGEDHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000357686319 526670709 /nfs/dbraw/zinc/67/07/09/526670709.db2.gz PIAHNKHCJWXXHB-HOCLYGCPSA-N 0 3 317.433 3.246 20 30 DGEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000185074649 526698617 /nfs/dbraw/zinc/69/86/17/526698617.db2.gz XBVYNCTXSQQEHQ-QGZVFWFLSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCN1CCN(CCCSc2ccccc2Cl)CC1 ZINC000127394111 526728472 /nfs/dbraw/zinc/72/84/72/526728472.db2.gz AZJBFJGNRVBQII-UHFFFAOYSA-N 0 3 322.905 3.463 20 30 DGEDHN C=CCOCCCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347369190 526749849 /nfs/dbraw/zinc/74/98/49/526749849.db2.gz LENMGBNKSUEQCV-HOTGVXAUSA-N 0 3 307.459 3.080 20 30 DGEDHN C=CCOCCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000348169542 526751295 /nfs/dbraw/zinc/75/12/95/526751295.db2.gz QEDQIKBZBXVVKG-UHFFFAOYSA-N 0 3 305.393 3.313 20 30 DGEDHN C=CCOCCCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000348025051 526752390 /nfs/dbraw/zinc/75/23/90/526752390.db2.gz DFECZSKLGTXNBS-QGZVFWFLSA-N 0 3 305.393 3.456 20 30 DGEDHN C=CCOCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000347975439 526755842 /nfs/dbraw/zinc/75/58/42/526755842.db2.gz VFJADHCJMRTDBW-UHFFFAOYSA-N 0 3 308.853 3.050 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000435740197 526781681 /nfs/dbraw/zinc/78/16/81/526781681.db2.gz CNLSMWXXYQQGTG-IYOUNJFTSA-N 0 3 317.429 3.089 20 30 DGEDHN C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000345731855 526784982 /nfs/dbraw/zinc/78/49/82/526784982.db2.gz AKYZFBTUNTWZEK-HOTGVXAUSA-N 0 3 313.401 3.247 20 30 DGEDHN C=C(C)[C@H](NC[C@@H](O)CCOC(C)C)c1ccc(F)c(F)c1 ZINC000349855358 526820046 /nfs/dbraw/zinc/82/00/46/526820046.db2.gz QFWIXNJNCPTRDK-YOEHRIQHSA-N 0 3 313.388 3.348 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)cccc1N1CCCC1 ZINC000435748135 526834463 /nfs/dbraw/zinc/83/44/63/526834463.db2.gz CTYPMEISNSWLRL-DNVCBOLYSA-N 0 3 318.436 3.497 20 30 DGEDHN C=C(C)[C@H]1OCC[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000345731856 526835362 /nfs/dbraw/zinc/83/53/62/526835362.db2.gz AKYZFBTUNTWZEK-JKSUJKDBSA-N 0 3 313.401 3.247 20 30 DGEDHN C=C(CC)CN(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000358502579 526850185 /nfs/dbraw/zinc/85/01/85/526850185.db2.gz WIKFRMNNFVJUHY-GOSISDBHSA-N 0 3 302.462 3.176 20 30 DGEDHN C=CCOc1cccc(CN[C@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343394722 526905718 /nfs/dbraw/zinc/90/57/18/526905718.db2.gz GVHZXHAIPHGNPZ-OALUTQOASA-N 0 3 310.397 3.266 20 30 DGEDHN C=CCOc1cccc(NC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000176556755 526912731 /nfs/dbraw/zinc/91/27/31/526912731.db2.gz YQEPFIRZXHGBAL-UHFFFAOYSA-N 0 3 319.449 3.303 20 30 DGEDHN CC(C)(CCC#N)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000130311060 526986347 /nfs/dbraw/zinc/98/63/47/526986347.db2.gz KXOYCFYSLXTVAA-UHFFFAOYSA-N 0 3 306.841 3.187 20 30 DGEDHN C=CC[C@@H](C(=O)N[C@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000427809971 527017409 /nfs/dbraw/zinc/01/74/09/527017409.db2.gz XHOQAVBCOFKMGB-ZWKOTPCHSA-N 0 3 300.446 3.335 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cc(-c2ccncc2)ccc1OC ZINC000358980192 527078211 /nfs/dbraw/zinc/07/82/11/527078211.db2.gz FSSRZZUDNIRZPC-OAHLLOKOSA-N 0 3 312.413 3.031 20 30 DGEDHN C=CC[C@@H](CO)CNCc1cn(-c2ccccc2)nc1C(C)C ZINC000341319153 527079498 /nfs/dbraw/zinc/07/94/98/527079498.db2.gz YRNOAUBRCVDKSY-MRXNPFEDSA-N 0 3 313.445 3.270 20 30 DGEDHN C=CCCC1(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000356704193 527087094 /nfs/dbraw/zinc/08/70/94/527087094.db2.gz RJDUOTLXDKXOAL-UHFFFAOYSA-N 0 3 313.445 3.161 20 30 DGEDHN C#CCOc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185641467 527099741 /nfs/dbraw/zinc/09/97/41/527099741.db2.gz ZHCNFIUMFLEEOY-UHFFFAOYSA-N 0 3 321.420 3.182 20 30 DGEDHN C=CC[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357284297 527133172 /nfs/dbraw/zinc/13/31/72/527133172.db2.gz NMWRTBMRENWKDF-UXLLHSPISA-N 0 3 303.450 3.250 20 30 DGEDHN C=CC[C@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415967979 527134701 /nfs/dbraw/zinc/13/47/01/527134701.db2.gz INMSYKDISASDFP-VIFPVBQESA-N 0 3 301.312 3.250 20 30 DGEDHN C=CC[C@H](CC)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000355732549 527154561 /nfs/dbraw/zinc/15/45/61/527154561.db2.gz MLADCMJXQQASGJ-ILXRZTDVSA-N 0 3 307.438 3.363 20 30 DGEDHN C=CCCCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341374095 527159726 /nfs/dbraw/zinc/15/97/26/527159726.db2.gz BHMKXQQLJHNLLX-INIZCTEOSA-N 0 3 303.450 3.162 20 30 DGEDHN C=CC[C@H](CO)CNCc1csc(-c2ccc(F)cc2)n1 ZINC000341313021 527187049 /nfs/dbraw/zinc/18/70/49/527187049.db2.gz RWVOVVVKYXMNNB-LBPRGKRZSA-N 0 3 306.406 3.223 20 30 DGEDHN CC(C)(CO)[C@H](NCCOc1cccc(C#N)c1)c1ccccc1 ZINC000429713461 527219493 /nfs/dbraw/zinc/21/94/93/527219493.db2.gz VNXCQGGTODFSOB-LJQANCHMSA-N 0 3 324.424 3.286 20 30 DGEDHN C=CC[C@H]1N(Cc2cc(=O)n3ccccc3n2)CCCC1(C)C ZINC000444785901 527226822 /nfs/dbraw/zinc/22/68/22/527226822.db2.gz SLQWPDJRLVPKLF-MRXNPFEDSA-N 0 3 311.429 3.261 20 30 DGEDHN C=CCc1cc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc(OC)c1O ZINC000443786917 527239596 /nfs/dbraw/zinc/23/95/96/527239596.db2.gz GZHPNGZLFQRWHB-JJRVBVJISA-N 0 3 319.445 3.111 20 30 DGEDHN C=CCCCS(=O)(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000427775724 527246436 /nfs/dbraw/zinc/24/64/36/527246436.db2.gz DRNJXIJMERLIOO-UHFFFAOYSA-N 0 3 322.474 3.380 20 30 DGEDHN C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415983442 527293431 /nfs/dbraw/zinc/29/34/31/527293431.db2.gz GLSPOHUTXXESCP-ZDUSSCGKSA-N 0 3 303.406 3.035 20 30 DGEDHN C=CCCOCCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000342976219 527331195 /nfs/dbraw/zinc/33/11/95/527331195.db2.gz FFUDXFNNOGSJOI-UHFFFAOYSA-N 0 3 322.493 3.226 20 30 DGEDHN C=CCC[C@@H](NC[C@H]1CN(CC(C)C)CCO1)c1ccco1 ZINC000353445021 527449622 /nfs/dbraw/zinc/44/96/22/527449622.db2.gz WBISJSPOVPXDDC-DLBZAZTESA-N 0 3 306.450 3.233 20 30 DGEDHN C=CCC[C@H](NC(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000130986074 527476318 /nfs/dbraw/zinc/47/63/18/527476318.db2.gz CQIGOVRXJFSJAK-SFHVURJKSA-N 0 3 315.461 3.431 20 30 DGEDHN C=CCCc1ccccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000346782513 527506878 /nfs/dbraw/zinc/50/68/78/527506878.db2.gz OJDRGNDOMZWFPE-HNNXBMFYSA-N 0 3 301.434 3.363 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000344078280 527518682 /nfs/dbraw/zinc/51/86/82/527518682.db2.gz PDLPKPFNMZPJDI-HKUYNNGSSA-N 0 3 300.446 3.322 20 30 DGEDHN C=CCN(C(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)C1CC1 ZINC000345216487 527546901 /nfs/dbraw/zinc/54/69/01/527546901.db2.gz UOQVCMFGGRJCCN-QWHCGFSZSA-N 0 3 318.383 3.072 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H](OC)C1)C(C)C ZINC000340301241 527649690 /nfs/dbraw/zinc/64/96/90/527649690.db2.gz KEEUFVJJSJRTED-RCCFBDPRSA-N 0 3 322.493 3.006 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1Cc2ccccc21)C(C)C ZINC000359299979 527649899 /nfs/dbraw/zinc/64/98/99/527649899.db2.gz UBNABIHPGDCGOK-RTBURBONSA-N 0 3 312.457 3.141 20 30 DGEDHN CC(C)Nc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cn1 ZINC000331059776 527761555 /nfs/dbraw/zinc/76/15/55/527761555.db2.gz BISZMSSSJBGULJ-HUUCEWRRSA-N 0 3 318.465 3.327 20 30 DGEDHN CC(C)CCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354478585 527776201 /nfs/dbraw/zinc/77/62/01/527776201.db2.gz VILXONYEPBLFNU-MRXNPFEDSA-N 0 3 309.369 3.392 20 30 DGEDHN CC(C)OC(=O)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000349245007 527804297 /nfs/dbraw/zinc/80/42/97/527804297.db2.gz OZUGCCVKPZRQJU-PVAVHDDUSA-N 0 3 300.402 3.351 20 30 DGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(OC)c2)C1(C)C ZINC000442883651 527901800 /nfs/dbraw/zinc/90/18/00/527901800.db2.gz HZNCPHMMUWXCJX-DLBZAZTESA-N 0 3 302.418 3.202 20 30 DGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000343566538 527937447 /nfs/dbraw/zinc/93/74/47/527937447.db2.gz TVPSCZRBPUKBEF-YJLNNSPDSA-N 0 3 313.445 3.170 20 30 DGEDHN CC(C)Oc1cccc([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185829686 528241300 /nfs/dbraw/zinc/24/13/00/528241300.db2.gz FYWOCOZIPYZGTI-LESCRADOSA-N 0 3 302.418 3.179 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](CC(C)C)c1ccccc1 ZINC000181789188 528363987 /nfs/dbraw/zinc/36/39/87/528363987.db2.gz DLDOWNRVDAYBET-KRWDZBQOSA-N 0 3 301.434 3.126 20 30 DGEDHN CC(C)C[C@@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000435925420 528391209 /nfs/dbraw/zinc/39/12/09/528391209.db2.gz FBYOPFVHLSSPCW-QZTJIDSGSA-N 0 3 314.429 3.032 20 30 DGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000338425240 528470854 /nfs/dbraw/zinc/47/08/54/528470854.db2.gz JFXGRPWSXUWPDA-SFHVURJKSA-N 0 3 313.445 3.137 20 30 DGEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC000330674481 528996950 /nfs/dbraw/zinc/99/69/50/528996950.db2.gz IHBHQAGQUWFBMA-OAHLLOKOSA-N 0 3 305.422 3.048 20 30 DGEDHN CC(C)N1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000355620004 529006893 /nfs/dbraw/zinc/00/68/93/529006893.db2.gz KKDSSYLCFOHWBA-GOSISDBHSA-N 0 3 313.445 3.017 20 30 DGEDHN CC(C)N1CCN(c2cccc(N[C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442874946 529044988 /nfs/dbraw/zinc/04/49/88/529044988.db2.gz RTDNBEOFSNOHCT-WMZOPIPTSA-N 0 3 312.461 3.321 20 30 DGEDHN CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000442637576 529126935 /nfs/dbraw/zinc/12/69/35/529126935.db2.gz PIEADSKUTNQNGH-XUWXXGDYSA-N 0 3 300.402 3.437 20 30 DGEDHN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000347352063 529188676 /nfs/dbraw/zinc/18/86/76/529188676.db2.gz XQFYDYUXCYIEIY-WFASDCNBSA-N 0 3 324.384 3.156 20 30 DGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000346663485 529256677 /nfs/dbraw/zinc/25/66/77/529256677.db2.gz GEMORKXWJFHUFO-AEFFLSMTSA-N 0 3 315.461 3.468 20 30 DGEDHN CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCCCN2CC)c1C ZINC000331096526 529287803 /nfs/dbraw/zinc/28/78/03/529287803.db2.gz MFGDGSIIPMHRNE-DZGCQCFKSA-N 0 3 306.454 3.342 20 30 DGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)N(C)C ZINC000413421397 529288716 /nfs/dbraw/zinc/28/87/16/529288716.db2.gz WWYXUQSJYPJXAL-OLZOCXBDSA-N 0 3 314.216 3.014 20 30 DGEDHN CCCNC(=O)C1(NCc2ccc(C#N)c(C)c2)CCCCC1 ZINC000488133115 535008933 /nfs/dbraw/zinc/00/89/33/535008933.db2.gz YUPIHEQAFPPSKY-UHFFFAOYSA-N 0 3 313.445 3.185 20 30 DGEDHN C=CCCOCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000147353634 545987233 /nfs/dbraw/zinc/98/72/33/545987233.db2.gz HMUBEJMQYJAOFN-UHFFFAOYSA-N 0 3 302.418 3.204 20 30 DGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181055851 546152673 /nfs/dbraw/zinc/15/26/73/546152673.db2.gz PGZGSRNXAUCSSS-KRWDZBQOSA-N 0 3 319.424 3.265 20 30 DGEDHN O=C(CN1CCC[C@H](C2CC2)C1)NC(=O)Nc1ccccc1 ZINC000329684189 546490446 /nfs/dbraw/zinc/49/04/46/546490446.db2.gz ZLPHPIMIJVEOSN-AWEZNQCLSA-N 0 3 301.390 3.311 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000594426536 547031719 /nfs/dbraw/zinc/03/17/19/547031719.db2.gz DURFPQFPZPCZOK-QGZVFWFLSA-N 0 3 313.445 3.026 20 30 DGEDHN C=C(C)COc1cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1OC ZINC000668554949 547479118 /nfs/dbraw/zinc/47/91/18/547479118.db2.gz RKHJKVCACONTIC-QWHZDKJVSA-N 0 3 319.445 3.099 20 30 DGEDHN C=C(C)COc1cc(CN2CC[C@H]3COC[C@H]3C2)ccc1OC ZINC000668707047 547515218 /nfs/dbraw/zinc/51/52/18/547515218.db2.gz XAZOAJNTYNETCK-DLBZAZTESA-N 0 3 317.429 3.118 20 30 DGEDHN C=C[C@@H](C)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000674957362 548142271 /nfs/dbraw/zinc/14/22/71/548142271.db2.gz TVILCCVVWQZFDW-HZPDHXFCSA-N 0 3 316.445 3.244 20 30 DGEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000677048118 548443610 /nfs/dbraw/zinc/44/36/10/548443610.db2.gz NPPOSIXXEOQOFK-ZDUSSCGKSA-N 0 3 315.360 3.056 20 30 DGEDHN C=C(C)COc1cc(CN2CCN(CC)[C@@H](C)C2)ccc1OC ZINC000678260818 548658885 /nfs/dbraw/zinc/65/88/85/548658885.db2.gz FCWLTFMKJLBEIW-INIZCTEOSA-N 0 3 318.461 3.176 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000678638234 548745261 /nfs/dbraw/zinc/74/52/61/548745261.db2.gz HOAOBOXXLJMUIR-MSOLQXFVSA-N 0 3 301.405 3.316 20 30 DGEDHN Fc1ccc(C#CCN2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000678638235 548745876 /nfs/dbraw/zinc/74/58/76/548745876.db2.gz HOAOBOXXLJMUIR-QZTJIDSGSA-N 0 3 301.405 3.316 20 30 DGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000678733569 548754511 /nfs/dbraw/zinc/75/45/11/548754511.db2.gz NFTFFHBHFALDKV-GXFFZTMASA-N 0 3 314.223 3.045 20 30 DGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000678785659 548763027 /nfs/dbraw/zinc/76/30/27/548763027.db2.gz OUMQVDIWKRYHAS-ZENOOKHLSA-N 0 3 300.402 3.249 20 30 DGEDHN C=CCOCCNCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000679486197 548903524 /nfs/dbraw/zinc/90/35/24/548903524.db2.gz DLMIYRWILLFYSO-UHFFFAOYSA-N 0 3 319.836 3.435 20 30 DGEDHN C=CCOCCN[C@@H](C)c1ccc(Br)c(F)c1 ZINC000679576768 548920232 /nfs/dbraw/zinc/92/02/32/548920232.db2.gz SUPVKETWGNIRHS-JTQLQIEISA-N 0 3 302.187 3.441 20 30 DGEDHN C=C(C)[C@H](CO)N1CC=C(c2cccc(Br)c2)CC1 ZINC000680817963 549109025 /nfs/dbraw/zinc/10/90/25/549109025.db2.gz YPMINFQZLCFBSM-INIZCTEOSA-N 0 3 322.246 3.475 20 30 DGEDHN C=C(C)CNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000681748382 549249351 /nfs/dbraw/zinc/24/93/51/549249351.db2.gz TVQBPCIVBJFCTR-MRXNPFEDSA-N 0 3 316.445 3.246 20 30 DGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nc(C)c(C)s1)C(C)C ZINC000683536763 549501457 /nfs/dbraw/zinc/50/14/57/549501457.db2.gz KNRFTTJUYSKFAJ-OAHLLOKOSA-N 0 3 321.490 3.188 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN1CC ZINC000684267538 549606064 /nfs/dbraw/zinc/60/60/64/549606064.db2.gz DLGFOSMONFQUEZ-SFHVURJKSA-N 0 3 315.461 3.259 20 30 DGEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000684928851 549719353 /nfs/dbraw/zinc/71/93/53/549719353.db2.gz BTOXEOOVVFORHB-ROUUACIJSA-N 0 3 315.461 3.257 20 30 DGEDHN CC(C)OC(=O)C[C@@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000594038677 574521498 /nfs/dbraw/zinc/52/14/98/574521498.db2.gz CMYHLQRMAVPFLY-MRXNPFEDSA-N 0 3 306.381 3.153 20 30 DGEDHN N#CC(C(=O)C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707601 574579513 /nfs/dbraw/zinc/57/95/13/574579513.db2.gz BBXDCLGGCCOOJE-CDVVCGDMSA-N 0 3 306.365 3.394 20 30 DGEDHN CC#CCN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000741777817 574639589 /nfs/dbraw/zinc/63/95/89/574639589.db2.gz LHRBJNICPRBOSE-HZPDHXFCSA-N 0 3 306.450 3.264 20 30 DGEDHN C=C(C)CN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734147613 574651583 /nfs/dbraw/zinc/65/15/83/574651583.db2.gz NFJZCHKPBRBGHG-CYBMUJFWSA-N 0 3 313.426 3.371 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCc3nccs3)nc21 ZINC000735789432 574715073 /nfs/dbraw/zinc/71/50/73/574715073.db2.gz LRFHMNDIAMUTQO-NSHDSACASA-N 0 3 310.382 3.137 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CCc3nccs3)[nH]c21 ZINC000735789432 574715074 /nfs/dbraw/zinc/71/50/74/574715074.db2.gz LRFHMNDIAMUTQO-NSHDSACASA-N 0 3 310.382 3.137 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CCCCO3)nc21 ZINC000735792145 574715445 /nfs/dbraw/zinc/71/54/45/574715445.db2.gz INGFLLVHMHPSSE-KBPBESRZSA-N 0 3 311.385 3.397 20 30 DGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CCCCO3)[nH]c21 ZINC000735792145 574715448 /nfs/dbraw/zinc/71/54/48/574715448.db2.gz INGFLLVHMHPSSE-KBPBESRZSA-N 0 3 311.385 3.397 20 30 DGEDHN N#CCCCCOC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000741324620 574955940 /nfs/dbraw/zinc/95/59/40/574955940.db2.gz FXMOGWOTLBIMKX-KRWDZBQOSA-N 0 3 300.402 3.136 20 30 DGEDHN N#CCCCCOC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000741324621 574956037 /nfs/dbraw/zinc/95/60/37/574956037.db2.gz FXMOGWOTLBIMKX-QGZVFWFLSA-N 0 3 300.402 3.136 20 30 DGEDHN C#CCN(C[C@H]1CN(c2ccccc2)C(=O)O1)C1CCCCC1 ZINC000741782980 574970392 /nfs/dbraw/zinc/97/03/92/574970392.db2.gz ZSSZTVHHAMMWSY-SFHVURJKSA-N 0 3 312.413 3.280 20 30 DGEDHN COc1ccc(CNCCOc2ccc(C)cc2C)cc1C#N ZINC000742366129 574992540 /nfs/dbraw/zinc/99/25/40/574992540.db2.gz LXBOKXVEFKOXFO-UHFFFAOYSA-N 0 3 310.397 3.352 20 30 DGEDHN Cc1nc(C)c(CNCc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000742377014 574994247 /nfs/dbraw/zinc/99/42/47/574994247.db2.gz LJJAXDFTZMAVME-LLVKDONJSA-N 0 3 301.415 3.341 20 30 DGEDHN C#CCN(C[C@@H](O)c1ccc(OC)cc1)[C@@H](C)Cc1ccccc1 ZINC000743863589 575066312 /nfs/dbraw/zinc/06/63/12/575066312.db2.gz USTJGDBEQLXWQJ-LAUBAEHRSA-N 0 3 323.436 3.295 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000744025383 575068995 /nfs/dbraw/zinc/06/89/95/575068995.db2.gz KKIOALBTRDQDTH-GWCFXTLKSA-N 0 3 316.744 3.384 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)cc1 ZINC000744029263 575069089 /nfs/dbraw/zinc/06/90/89/575069089.db2.gz RLZHISHXSYTVJZ-SWLSCSKDSA-N 0 3 310.353 3.293 20 30 DGEDHN C#CCN(C[C@@H](O)COc1ccccc1C)C1CCCCC1 ZINC000744211482 575078517 /nfs/dbraw/zinc/07/85/17/575078517.db2.gz SHZIKQCBLDLKQQ-GOSISDBHSA-N 0 3 301.430 3.003 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000740900053 575232243 /nfs/dbraw/zinc/23/22/43/575232243.db2.gz KCDRIGPCZYWCBL-CZUORRHYSA-N 0 3 316.426 3.252 20 30 DGEDHN N#Cc1ccc(CN(C[C@@H](O)c2cccc(F)c2)C2CC2)cc1 ZINC000746115317 575433941 /nfs/dbraw/zinc/43/39/41/575433941.db2.gz QCJYUSUTEFWLBW-LJQANCHMSA-N 0 3 310.372 3.395 20 30 DGEDHN C=C(C)COc1cc(CNC[C@H](O)c2ccco2)ccc1OC ZINC000747099200 575495629 /nfs/dbraw/zinc/49/56/29/575495629.db2.gz ZAWNMDLFEQYVAL-HNNXBMFYSA-N 0 3 317.385 3.066 20 30 DGEDHN CCCCCCCCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747232337 575507462 /nfs/dbraw/zinc/50/74/62/575507462.db2.gz VZVXGZXPZVMJCK-IRXDYDNUSA-N 0 3 310.482 3.107 20 30 DGEDHN Cc1cc(C)nc(N=NC2CCCC[C@@H]2N2CCCCC2)n1 ZINC000748777610 575606135 /nfs/dbraw/zinc/60/61/35/575606135.db2.gz DIWYQTUGQDHIHE-INIZCTEOSA-N 0 3 301.438 3.290 20 30 DGEDHN Cc1ccsc1[C@H](CO)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000749295077 575643390 /nfs/dbraw/zinc/64/33/90/575643390.db2.gz ILRWSLXWNVGPNC-BBRMVZONSA-N 0 3 316.426 3.171 20 30 DGEDHN Cc1ccsc1[C@H](CO)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000749295080 575643432 /nfs/dbraw/zinc/64/34/32/575643432.db2.gz ILRWSLXWNVGPNC-CJNGLKHVSA-N 0 3 316.426 3.171 20 30 DGEDHN N#Cc1cc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)ccn1 ZINC000749523320 575663570 /nfs/dbraw/zinc/66/35/70/575663570.db2.gz UBRYBDJJWIIGIT-OALUTQOASA-N 0 3 307.397 3.041 20 30 DGEDHN Cc1cccnc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000750684195 575745026 /nfs/dbraw/zinc/74/50/26/575745026.db2.gz MWVAXJKMAXBZSU-LLVKDONJSA-N 0 3 313.744 3.005 20 30 DGEDHN CC(C)CN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000751381671 575783005 /nfs/dbraw/zinc/78/30/05/575783005.db2.gz XTNVELFJLNYQFB-UHFFFAOYSA-N 0 3 313.445 3.294 20 30 DGEDHN C#CCCN1CCC(NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000751992090 575816780 /nfs/dbraw/zinc/81/67/80/575816780.db2.gz HDPQIZGOSQMLTM-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCN1CCC(NC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000752439692 575837202 /nfs/dbraw/zinc/83/72/02/575837202.db2.gz WCKFCYLYMXYRLX-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN CCCCCCCOc1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000726797804 576042311 /nfs/dbraw/zinc/04/23/11/576042311.db2.gz YSWCDOAQKXCKHQ-QGZVFWFLSA-N 0 3 318.461 3.356 20 30 DGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC000738315056 576048477 /nfs/dbraw/zinc/04/84/77/576048477.db2.gz SQBKEXIXTVJXAO-CYBMUJFWSA-N 0 3 313.426 3.347 20 30 DGEDHN Fc1ccc(CCN2CCC(=NNC3CCCC3)CC2)cc1 ZINC000727652178 576136818 /nfs/dbraw/zinc/13/68/18/576136818.db2.gz VOYZNFQOFGDIKX-UHFFFAOYSA-N 0 3 303.425 3.352 20 30 DGEDHN C#CCCN(CCOC)Cc1cccc(OCc2ccccn2)c1 ZINC000852750606 620645490 /nfs/dbraw/zinc/64/54/90/620645490.db2.gz ZYRDEOFONWBCIT-UHFFFAOYSA-N 0 3 324.424 3.132 20 30 DGEDHN C#CCOc1ccccc1CNCCO[C@H]1CCCC[C@@H]1C ZINC000916838723 620646913 /nfs/dbraw/zinc/64/69/13/620646913.db2.gz XAFDDUNWIACQRR-WMZOPIPTSA-N 0 3 301.430 3.384 20 30 DGEDHN C=CCN(Cc1cc(=O)oc2cc(NC(C)=O)ccc12)C(C)C ZINC000917166774 620659161 /nfs/dbraw/zinc/65/91/61/620659161.db2.gz GDQGZLRJNIAQEQ-UHFFFAOYSA-N 0 3 314.385 3.148 20 30 DGEDHN CC(C)(C)CCNN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853332966 620687472 /nfs/dbraw/zinc/68/74/72/620687472.db2.gz XFJRHORXKLHFKJ-UHFFFAOYSA-N 0 3 303.450 3.007 20 30 DGEDHN C#Cc1cccnc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000853560814 620709658 /nfs/dbraw/zinc/70/96/58/620709658.db2.gz XZACECDLXZNMAE-UHFFFAOYSA-N 0 3 323.362 3.280 20 30 DGEDHN C=CC(C)(C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891542633 617830663 /nfs/dbraw/zinc/83/06/63/617830663.db2.gz LWBCAJFPDQOLMY-CYBMUJFWSA-N 0 3 307.463 3.149 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCC(C#N)CC2)C1 ZINC000891851710 617912177 /nfs/dbraw/zinc/91/21/77/617912177.db2.gz BPQCFLBKKUOZQR-SFHVURJKSA-N 0 3 321.465 3.259 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCCCO1 ZINC000111943081 620771708 /nfs/dbraw/zinc/77/17/08/620771708.db2.gz PSWUTDWVCZLBCQ-KBPBESRZSA-N 0 3 311.385 3.099 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892419635 618062005 /nfs/dbraw/zinc/06/20/05/618062005.db2.gz GHQDGXZYNBYJMZ-UONOGXRCSA-N 0 3 323.396 3.099 20 30 DGEDHN Cc1nc(C)c(CC(=O)C(C#N)c2nc3ccccc3o2)s1 ZINC000892553945 618107198 /nfs/dbraw/zinc/10/71/98/618107198.db2.gz YOTKAMTUVXJKJG-NSHDSACASA-N 0 3 311.366 3.320 20 30 DGEDHN C#CCN(CC)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000920096081 620782914 /nfs/dbraw/zinc/78/29/14/620782914.db2.gz WHPAFDGFGHOUNR-FQEVSTJZSA-N 0 3 323.436 3.109 20 30 DGEDHN C[C@@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000112148878 620794278 /nfs/dbraw/zinc/79/42/78/620794278.db2.gz ATASVHVUONETSM-YOEHRIQHSA-N 0 3 312.413 3.023 20 30 DGEDHN COC(=O)c1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000894451631 618338056 /nfs/dbraw/zinc/33/80/56/618338056.db2.gz QJYYVRGYRFEZCG-UHFFFAOYSA-N 0 3 308.381 3.252 20 30 DGEDHN FC(F)(F)c1csc(CCNCC#Cc2ccccc2)n1 ZINC000893074058 618414400 /nfs/dbraw/zinc/41/44/00/618414400.db2.gz RRYONMHWDYFXHO-UHFFFAOYSA-N 0 3 310.344 3.346 20 30 DGEDHN C=C1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000894750183 618445643 /nfs/dbraw/zinc/44/56/43/618445643.db2.gz GYMXTUBXLORONO-WBVHZDCISA-N 0 3 301.434 3.039 20 30 DGEDHN C=C1CCN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000894761664 618451964 /nfs/dbraw/zinc/45/19/64/618451964.db2.gz AOPDAOIZKCXPQO-CABCVRRESA-N 0 3 305.422 3.070 20 30 DGEDHN C#C[C@H](N[C@@H]1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000894871138 618484215 /nfs/dbraw/zinc/48/42/15/618484215.db2.gz RRLGUPPBTZHQSB-GLQYFDAESA-N 0 3 308.219 3.281 20 30 DGEDHN C=CCC[C@H](CO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894930790 618500068 /nfs/dbraw/zinc/50/00/68/618500068.db2.gz VWZFVMSTKGOSDX-GFCCVEGCSA-N 0 3 318.295 3.030 20 30 DGEDHN C=CCC[C@H](CO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894935153 618501492 /nfs/dbraw/zinc/50/14/92/618501492.db2.gz UWJACRKJKLDQIP-LLVKDONJSA-N 0 3 319.188 3.318 20 30 DGEDHN C#CC1(O)CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000895379638 618775935 /nfs/dbraw/zinc/77/59/35/618775935.db2.gz MBRPRMXNKODOGI-UHFFFAOYSA-N 0 3 321.420 3.226 20 30 DGEDHN C[C@]1(Br)C[C@H]1CN1CCc2c(CC#N)cccc2C1 ZINC000895667448 618815401 /nfs/dbraw/zinc/81/54/01/618815401.db2.gz NZIRLJWCVPWSJF-HOCLYGCPSA-N 0 3 319.246 3.284 20 30 DGEDHN CN(CCc1cccc(C#N)c1)C[C@@H]1C[C@@]1(C)Br ZINC000895785014 618830701 /nfs/dbraw/zinc/83/07/01/618830701.db2.gz AXQPWEBOZXXXKX-LSDHHAIUSA-N 0 3 307.235 3.206 20 30 DGEDHN C=CCC1(O)CCN(Cc2cccc(OCCCOC)c2)CC1 ZINC000895835149 618839485 /nfs/dbraw/zinc/83/94/85/618839485.db2.gz AUEHIYANPOMONT-UHFFFAOYSA-N 0 3 319.445 3.005 20 30 DGEDHN C=CCC1(O)CCN(Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000895835076 618839767 /nfs/dbraw/zinc/83/97/67/618839767.db2.gz YINQDAGGXBYFGY-UHFFFAOYSA-N 0 3 317.429 3.141 20 30 DGEDHN C=CCOc1ccc(CN2CCC(O)(CC=C)CC2)cc1OC ZINC000895835709 618840004 /nfs/dbraw/zinc/84/00/04/618840004.db2.gz MIBPVKZDPDMTNU-UHFFFAOYSA-N 0 3 317.429 3.163 20 30 DGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1nccc2c1CCCC2 ZINC000896280807 618896242 /nfs/dbraw/zinc/89/62/42/618896242.db2.gz KTSFZMJOBAWUKM-HNNXBMFYSA-N 0 3 313.445 3.149 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000840708149 618981428 /nfs/dbraw/zinc/98/14/28/618981428.db2.gz DGMDOBWYHBDIIC-ONDHQXCVSA-N 0 3 314.433 3.022 20 30 DGEDHN CCO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000897069524 619011678 /nfs/dbraw/zinc/01/16/78/619011678.db2.gz WZCCHLJOMZNKSE-SFHVURJKSA-N 0 3 324.428 3.075 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000897281214 619043411 /nfs/dbraw/zinc/04/34/11/619043411.db2.gz ZKVQYRJXBCSWDD-GOSISDBHSA-N 0 3 323.440 3.047 20 30 DGEDHN C=CCCCCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897418600 619108748 /nfs/dbraw/zinc/10/87/48/619108748.db2.gz MAAWCHRWMATMFJ-QGZVFWFLSA-N 0 3 304.434 3.207 20 30 DGEDHN N#CC1(c2ccc(CN3CCC4(CC3)CC(=O)C=CO4)cc2)CC1 ZINC000897599212 619165188 /nfs/dbraw/zinc/16/51/88/619165188.db2.gz FPPJNQJLHMHCBT-UHFFFAOYSA-N 0 3 322.408 3.079 20 30 DGEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000897625549 619168823 /nfs/dbraw/zinc/16/88/23/619168823.db2.gz FDDPAGYYMRWAOQ-ZIAGYGMSSA-N 0 3 305.447 3.090 20 30 DGEDHN CCC[C@@](C)(NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000897925410 619195963 /nfs/dbraw/zinc/19/59/63/619195963.db2.gz GWIOCGWLXFZAME-LJQANCHMSA-N 0 3 319.412 3.406 20 30 DGEDHN Cc1nc2ccccn2c1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000898277386 619231540 /nfs/dbraw/zinc/23/15/40/619231540.db2.gz XXSLBFVLJUHJNU-AWEZNQCLSA-N 0 3 320.396 3.223 20 30 DGEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(OCC(F)(F)F)c1 ZINC000924661490 619254361 /nfs/dbraw/zinc/25/43/61/619254361.db2.gz BXUXEAAGXCJWCR-LLVKDONJSA-N 0 3 315.339 3.441 20 30 DGEDHN Cc1cc(C)n(-c2ccc(CN[C@H](C)CC(C)(C)C#N)cn2)n1 ZINC000924701355 619260332 /nfs/dbraw/zinc/26/03/32/619260332.db2.gz KJKVPTPUCDLXHH-CQSZACIVSA-N 0 3 311.433 3.302 20 30 DGEDHN C[C@@H](N[C@H](CN1CCCC1)c1ccccc1)c1cc(C#N)ccn1 ZINC000902731952 619667468 /nfs/dbraw/zinc/66/74/68/619667468.db2.gz TVYYHMWARPMHDG-OXQOHEQNSA-N 0 3 320.440 3.441 20 30 DGEDHN C[C@@H](NCCN1c2ccccc2C[C@@H]1C)c1cc(C#N)ccn1 ZINC000902776507 619674008 /nfs/dbraw/zinc/67/40/08/619674008.db2.gz QOWQQTRERBBOMO-LSDHHAIUSA-N 0 3 306.413 3.055 20 30 DGEDHN CC(C)c1nc(CCN[C@@H](C)c2cc(C#N)ccn2)cs1 ZINC000902786593 619676264 /nfs/dbraw/zinc/67/62/64/619676264.db2.gz QAVVNZLDODHDGT-LBPRGKRZSA-N 0 3 300.431 3.426 20 30 DGEDHN CC[C@@H](NCc1ccc(NC(C)=O)nc1)c1cccc(C#N)c1 ZINC000902977176 619698752 /nfs/dbraw/zinc/69/87/52/619698752.db2.gz WRYCOUOTRWKCBP-QGZVFWFLSA-N 0 3 308.385 3.153 20 30 DGEDHN C[C@H](NCCc1cccc(C(F)(F)F)n1)c1cc(C#N)ccn1 ZINC000903001210 619703379 /nfs/dbraw/zinc/70/33/79/619703379.db2.gz QWIMLJYMMWHPTO-NSHDSACASA-N 0 3 320.318 3.260 20 30 DGEDHN C[C@@H](NC[C@@H]1CSc2ccccc2O1)c1cc(C#N)ccn1 ZINC000903035847 619705183 /nfs/dbraw/zinc/70/51/83/619705183.db2.gz VBNLPQUHEGIXQS-TZMCWYRMSA-N 0 3 311.410 3.157 20 30 DGEDHN C=C[C@H](C)N[C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110363 619718200 /nfs/dbraw/zinc/71/82/00/619718200.db2.gz OPTBHDFCDCJYHL-UWVGGRQHSA-N 0 3 307.337 3.205 20 30 DGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cnn(CCF)c1 ZINC000903274985 619751105 /nfs/dbraw/zinc/75/11/05/619751105.db2.gz UZFYHUKKRQGDQZ-GOSISDBHSA-N 0 3 312.392 3.282 20 30 DGEDHN C[C@@H](NCCOC1CCSCC1)c1ccc(C#N)c(F)c1 ZINC000903444176 619777918 /nfs/dbraw/zinc/77/79/18/619777918.db2.gz NUAIUDPBLZCWTI-GFCCVEGCSA-N 0 3 308.422 3.260 20 30 DGEDHN N#Cc1cc(-c2ccc(F)c(CNCCO)c2)ccc1C1CC1 ZINC000904834268 619954090 /nfs/dbraw/zinc/95/40/90/619954090.db2.gz XTRADCQSROUMPI-UHFFFAOYSA-N 0 3 310.372 3.324 20 30 DGEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)c(OC(F)F)cc1C ZINC000905079893 619968125 /nfs/dbraw/zinc/96/81/25/619968125.db2.gz GNUAJXFZFGOUPX-PQTFEYQYSA-N 0 3 319.311 3.337 20 30 DGEDHN CC1/C(=C\c2cccc(OC3CCCC3)c2)C(=O)c2ncnn21 ZINC000905081994 619968247 /nfs/dbraw/zinc/96/82/47/619968247.db2.gz VAYLJEVBJSRBSN-HMHNVIDESA-N 0 3 309.369 3.440 20 30 DGEDHN CCCCn1nc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1Cl ZINC000905081852 619968265 /nfs/dbraw/zinc/96/82/65/619968265.db2.gz TYDBQMADVHWLPA-BZPKPHBRSA-N 0 3 319.796 3.077 20 30 DGEDHN CC1(C#N)CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000907258880 620147471 /nfs/dbraw/zinc/14/74/71/620147471.db2.gz RDOJWPLDMAABCU-UHFFFAOYSA-N 0 3 310.401 3.057 20 30 DGEDHN CCCCc1ccc([C@@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000027367462 620188517 /nfs/dbraw/zinc/18/85/17/620188517.db2.gz RYKQQFPRUWOKCE-IBGZPJMESA-N 0 3 315.461 3.346 20 30 DGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc2c(cc1N)OCO2 ZINC000911841734 620347496 /nfs/dbraw/zinc/34/74/96/620347496.db2.gz SOZBCLVCTGPHMW-GFCCVEGCSA-N 0 3 321.421 3.014 20 30 DGEDHN N#CC1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CCCC1 ZINC000911870678 620349188 /nfs/dbraw/zinc/34/91/88/620349188.db2.gz GPNPRVCADLRXFF-UHFFFAOYSA-N 0 3 310.401 3.105 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Br)cc1F ZINC000911928556 620353325 /nfs/dbraw/zinc/35/33/25/620353325.db2.gz CGPHYYMLVBZBPJ-NSHDSACASA-N 0 3 315.186 3.210 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000912021390 620360351 /nfs/dbraw/zinc/36/03/51/620360351.db2.gz XIRROBDZXWNEOR-CQSZACIVSA-N 0 3 314.351 3.048 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000912143521 620369751 /nfs/dbraw/zinc/36/97/51/620369751.db2.gz LIXAHTHVJGWDOC-UONOGXRCSA-N 0 3 308.422 3.162 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000912220955 620374443 /nfs/dbraw/zinc/37/44/43/620374443.db2.gz IXSGFXFFPVJMGH-CQSZACIVSA-N 0 3 314.351 3.347 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000912222029 620374504 /nfs/dbraw/zinc/37/45/04/620374504.db2.gz VWHJFTKYIDBYEW-INIZCTEOSA-N 0 3 317.433 3.293 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)NCc1c(OC)ccc2ccccc21 ZINC000912282682 620376722 /nfs/dbraw/zinc/37/67/22/620376722.db2.gz ZHVPELRUDLMMPA-QGZVFWFLSA-N 0 3 312.413 3.148 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000912474895 620389925 /nfs/dbraw/zinc/38/99/25/620389925.db2.gz YFMDNNWOUFDNCB-QWHCGFSZSA-N 0 3 300.324 3.090 20 30 DGEDHN C#CCCCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000760421795 620496012 /nfs/dbraw/zinc/49/60/12/620496012.db2.gz ZRCDJBWSDNTOTK-UHFFFAOYSA-N 0 3 304.478 3.149 20 30 DGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NOC[C@@H]1CCOC1 ZINC000788032648 620558815 /nfs/dbraw/zinc/55/88/15/620558815.db2.gz CMDXYVLJQJGPKD-BQYPHSCFSA-N 0 3 300.402 3.337 20 30 DGEDHN CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccccn2)CC1 ZINC000915944413 620608024 /nfs/dbraw/zinc/60/80/24/620608024.db2.gz RMLHMTLJACHHTM-UHFFFAOYSA-N 0 3 323.444 3.060 20 30 DGEDHN COc1ccccc1O[C@H](C)CNCc1csc(C#N)c1 ZINC000921793685 620950845 /nfs/dbraw/zinc/95/08/45/620950845.db2.gz LWCBQOLGKQKJBR-GFCCVEGCSA-N 0 3 302.399 3.185 20 30 DGEDHN N#Cc1ccc(Br)c(CN[C@H]2CCCSC2)c1 ZINC000921817017 620953915 /nfs/dbraw/zinc/95/39/15/620953915.db2.gz CCYVEYAZLKAWHD-LBPRGKRZSA-N 0 3 311.248 3.306 20 30 DGEDHN CC1CCC2(CC1)OC[C@H](CNCc1csc(C#N)c1)O2 ZINC000921972536 620975521 /nfs/dbraw/zinc/97/55/21/620975521.db2.gz ASYAHSBEUXEUTN-UGWHAMFMSA-N 0 3 306.431 3.031 20 30 DGEDHN COc1cc(CNCc2ccc3c(c2)C[C@H](C)O3)ccc1C#N ZINC000922141439 620994207 /nfs/dbraw/zinc/99/42/07/620994207.db2.gz QAHNSSHDEGXXGU-ZDUSSCGKSA-N 0 3 308.381 3.180 20 30 DGEDHN C[C@H](NCc1csc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000922143209 620995099 /nfs/dbraw/zinc/99/50/99/620995099.db2.gz HLXFIUOHCVPBRU-BONVTDFDSA-N 0 3 304.440 3.473 20 30 DGEDHN C[C@H]1SCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000922213914 621007044 /nfs/dbraw/zinc/00/70/44/621007044.db2.gz DMQBSSNMWQMQJI-RNCFNFMXSA-N 0 3 311.248 3.304 20 30 DGEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114620769 621024829 /nfs/dbraw/zinc/02/48/29/621024829.db2.gz AMZZFKPNXLUNHV-KOLCDFICSA-N 0 3 303.412 3.133 20 30 DGEDHN C=C1CCC(CNCc2csc(-c3ccn(C)n3)n2)CC1 ZINC000922711033 621087638 /nfs/dbraw/zinc/08/76/38/621087638.db2.gz PAKPBWFGLPEGBY-UHFFFAOYSA-N 0 3 302.447 3.380 20 30 DGEDHN COCCOCc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922760514 621095243 /nfs/dbraw/zinc/09/52/43/621095243.db2.gz VEORXCZDHFHXKF-UHFFFAOYSA-N 0 3 324.424 3.320 20 30 DGEDHN C#CC[C@@H](COC)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000858335597 621177408 /nfs/dbraw/zinc/17/74/08/621177408.db2.gz ZSLBOSWBRGGECJ-ZDUSSCGKSA-N 0 3 305.727 3.487 20 30 DGEDHN C#CC[C@H](COC)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000858335596 621177471 /nfs/dbraw/zinc/17/74/71/621177471.db2.gz ZSLBOSWBRGGECJ-CYBMUJFWSA-N 0 3 305.727 3.487 20 30 DGEDHN C#CCOc1ccc(CN[C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858341924 621178483 /nfs/dbraw/zinc/17/84/83/621178483.db2.gz HYWMQPHWOOZJHR-HXUWFJFHSA-N 0 3 322.408 3.343 20 30 DGEDHN CC(=O)N(C)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000858495336 621197808 /nfs/dbraw/zinc/19/78/08/621197808.db2.gz BQLBARJWBKBYOG-CQSZACIVSA-N 0 3 307.397 3.392 20 30 DGEDHN C#CCCOC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000858880668 621228403 /nfs/dbraw/zinc/22/84/03/621228403.db2.gz VREAUYGZLHZLIX-HNNXBMFYSA-N 0 3 320.458 3.271 20 30 DGEDHN C=CCN1CCC(NC(=O)N(CC2CCCCC2)OCC)CC1 ZINC000838324595 621237103 /nfs/dbraw/zinc/23/71/03/621237103.db2.gz DEOUDSQNHHEOMK-UHFFFAOYSA-N 0 3 323.481 3.180 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116592009 621254766 /nfs/dbraw/zinc/25/47/66/621254766.db2.gz WOOXKWCYBJYXFD-CJNGLKHVSA-N 0 3 318.392 3.335 20 30 DGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(SC)s2)CC1 ZINC000859250957 621264544 /nfs/dbraw/zinc/26/45/44/621264544.db2.gz RVORTFTXNWRPQA-GQCTYLIASA-N 0 3 322.499 3.250 20 30 DGEDHN C=CC[C@@H]1CCN(Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000859444497 621278136 /nfs/dbraw/zinc/27/81/36/621278136.db2.gz PUPYRLWGEHYCBJ-GFCCVEGCSA-N 0 3 304.825 3.328 20 30 DGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(F)(F)F)c1 ZINC000838786292 621280474 /nfs/dbraw/zinc/28/04/74/621280474.db2.gz HGIJEERGANNUCQ-CMPLNLGQSA-N 0 3 312.291 3.231 20 30 DGEDHN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000838785990 621280718 /nfs/dbraw/zinc/28/07/18/621280718.db2.gz DGWYTOGQJNNOJP-UYSNPLJNSA-N 0 3 312.413 3.084 20 30 DGEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)c(C)c1 ZINC000859533933 621287863 /nfs/dbraw/zinc/28/78/63/621287863.db2.gz YFDUWAVHEDIZBL-UHFFFAOYSA-N 0 3 317.433 3.213 20 30 DGEDHN C#CCCC[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000838972287 621308289 /nfs/dbraw/zinc/30/82/89/621308289.db2.gz QCNKRXVGZHBMIR-UHFFFAOYSA-N 0 3 312.207 3.056 20 30 DGEDHN C#Cc1cccc(CNCc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000839126890 621337873 /nfs/dbraw/zinc/33/78/73/621337873.db2.gz AOYLBHDHNBOPOI-QGZVFWFLSA-N 0 3 320.436 3.183 20 30 DGEDHN C=CCC(F)(F)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000839254576 621352998 /nfs/dbraw/zinc/35/29/98/621352998.db2.gz KQRIOJJKFXTIBN-UHFFFAOYSA-N 0 3 308.372 3.325 20 30 DGEDHN Cc1cc(C)cc([C@H](O)CN2CCc3c(CC#N)cccc3C2)c1 ZINC000860106391 621367274 /nfs/dbraw/zinc/36/72/74/621367274.db2.gz HOGSZYCOJILMPA-OAQYLSRUSA-N 0 3 320.436 3.461 20 30 DGEDHN C=CCOCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753568783 621449690 /nfs/dbraw/zinc/44/96/90/621449690.db2.gz ATEWOSISFOXBSD-UHFFFAOYSA-N 0 3 313.397 3.263 20 30 DGEDHN C#C[C@H](C)NCc1c[nH]nc1-c1ccc(Br)s1 ZINC000862362755 621578374 /nfs/dbraw/zinc/57/83/74/621578374.db2.gz FQAOBRFCLLAMOK-QMMMGPOBSA-N 0 3 310.220 3.012 20 30 DGEDHN Fc1ccc(CCN2CCC(=NO[C@H]3CCCCO3)CC2)cc1 ZINC000755816260 621595852 /nfs/dbraw/zinc/59/58/52/621595852.db2.gz UTGZNZWQVWGSEJ-SFHVURJKSA-N 0 3 320.408 3.363 20 30 DGEDHN COc1ccc(O)c(CN2CCc3c(CC#N)cccc3C2)c1 ZINC000862542573 621599407 /nfs/dbraw/zinc/59/94/07/621599407.db2.gz TZHOPHNWGRMONY-UHFFFAOYSA-N 0 3 308.381 3.025 20 30 DGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ncnc2c3ccccc3oc21 ZINC000755892303 621600754 /nfs/dbraw/zinc/60/07/54/621600754.db2.gz NGCAEURFDDYXQN-NSHDSACASA-N 0 3 321.384 3.258 20 30 DGEDHN Cc1cc(NN=C(C[C@H]2CCOC2)c2ccc(F)cc2)ccn1 ZINC000863159497 621643732 /nfs/dbraw/zinc/64/37/32/621643732.db2.gz UCTZNEZVTSZTEU-CQSZACIVSA-N 0 3 313.376 3.194 20 30 DGEDHN C[C@H](CCC#N)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000839539091 621693081 /nfs/dbraw/zinc/69/30/81/621693081.db2.gz JAFORLRTBZVMJK-KGLIPLIRSA-N 0 3 319.424 3.130 20 30 DGEDHN C=CCN(C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000757772770 621738266 /nfs/dbraw/zinc/73/82/66/621738266.db2.gz KUDQBZWBNQCVCS-AEFFLSMTSA-N 0 3 315.461 3.255 20 30 DGEDHN Cc1ccc(CN2CC[C@@H](/N=C\c3cccc(O)c3O)C2)cc1 ZINC000864347560 621759487 /nfs/dbraw/zinc/75/94/87/621759487.db2.gz UESQPXHAORXPNR-LELXDKESSA-N 0 3 310.397 3.100 20 30 DGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](CO)CC(F)F)cc1 ZINC000760041639 621912244 /nfs/dbraw/zinc/91/22/44/621912244.db2.gz ZHKRGGKBIDEWHR-YPMHNXCESA-N 0 3 319.779 3.485 20 30 DGEDHN C#CCNC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000760460838 621942050 /nfs/dbraw/zinc/94/20/50/621942050.db2.gz IIJKJLGIMWCTRL-SFHVURJKSA-N 0 3 318.848 3.300 20 30 DGEDHN C=CCCC1(CNCc2cn(C[C@H]3CCCO3)nn2)CCCC1 ZINC000865623881 621964445 /nfs/dbraw/zinc/96/44/45/621964445.db2.gz OYCZKUKVVCXBAQ-QGZVFWFLSA-N 0 3 318.465 3.073 20 30 DGEDHN CCO[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(C)C ZINC000761065885 621983678 /nfs/dbraw/zinc/98/36/78/621983678.db2.gz WFPQSNJDKYVVSR-BLLLJJGKSA-N 0 3 300.358 3.455 20 30 DGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1nc3c(s1)CCCC3)C2 ZINC000865848051 622007346 /nfs/dbraw/zinc/00/73/46/622007346.db2.gz KMWVLTXIAJTAHU-OAHLLOKOSA-N 0 3 309.438 3.151 20 30 DGEDHN C[C@@H]1CC(N=Nc2ccc(OCC(F)(F)F)cc2)CN1C ZINC000761810956 622030485 /nfs/dbraw/zinc/03/04/85/622030485.db2.gz WKURXCVSNLQXMI-SNVBAGLBSA-N 0 3 301.312 3.120 20 30 DGEDHN C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])CN1CCCCC1 ZINC000866237468 622072867 /nfs/dbraw/zinc/07/28/67/622072867.db2.gz DGSRAPALDUCJAA-GJZGRUSLSA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1[O-])CN1CCCCC1 ZINC000866237470 622072961 /nfs/dbraw/zinc/07/29/61/622072961.db2.gz DGSRAPALDUCJAA-HUUCEWRRSA-N 0 3 301.434 3.036 20 30 DGEDHN C[C@H]1C[C@H](NC2CCN(c3ccccc3C#N)CC2)c2nccn21 ZINC000866448462 622120553 /nfs/dbraw/zinc/12/05/53/622120553.db2.gz GHHQTRVLQNKKJD-YOEHRIQHSA-N 0 3 321.428 3.019 20 30 DGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccsc1 ZINC000121671078 622171316 /nfs/dbraw/zinc/17/13/16/622171316.db2.gz DPMYVDZLJMPIMY-SMDDNHRTSA-N 0 3 304.415 3.009 20 30 DGEDHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)c1sccc1CC#N ZINC000867988205 622201034 /nfs/dbraw/zinc/20/10/34/622201034.db2.gz WVEXBMPOXJERBM-HNNXBMFYSA-N 0 3 311.410 3.253 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)CC1 ZINC000868222099 622226598 /nfs/dbraw/zinc/22/65/98/622226598.db2.gz PNHMMIOOEIFYHK-MDZRGWNJSA-N 0 3 319.493 3.295 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCC(=O)OC(C)C)c([O-])c1 ZINC000764887108 622229864 /nfs/dbraw/zinc/22/98/64/622229864.db2.gz FFNSPTBRRSSPEZ-UYRXBGFRSA-N 0 3 320.433 3.389 20 30 DGEDHN C=CCN1CCC(NC(=O)NCc2ccc(C(C)(C)C)o2)CC1 ZINC000868283621 622230849 /nfs/dbraw/zinc/23/08/49/622230849.db2.gz BXUBMCGHLFKAGU-UHFFFAOYSA-N 0 3 319.449 3.027 20 30 DGEDHN C=CC[C@@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccncc1 ZINC000766017397 622300425 /nfs/dbraw/zinc/30/04/25/622300425.db2.gz BEAAFCMQUIOPDE-RDTXWAMCSA-N 0 3 320.400 3.025 20 30 DGEDHN CCN1C[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000766254950 622315422 /nfs/dbraw/zinc/31/54/22/622315422.db2.gz VFBRMTLEULBAJS-KGLIPLIRSA-N 0 3 321.852 3.157 20 30 DGEDHN C=C(C)CNC(=S)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000768783597 622476619 /nfs/dbraw/zinc/47/66/19/622476619.db2.gz FJBVRHWKHGNVHS-KRWDZBQOSA-N 0 3 319.518 3.183 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769281715 622513418 /nfs/dbraw/zinc/51/34/18/622513418.db2.gz KYBZZECIRIVQQT-LSDHHAIUSA-N 0 3 304.365 3.103 20 30 DGEDHN C#CCOc1ccc(CN(C)CCOCc2ccccc2)cc1 ZINC000770306739 622619667 /nfs/dbraw/zinc/61/96/67/622619667.db2.gz PSZPNGBFCOTQJK-UHFFFAOYSA-N 0 3 309.409 3.347 20 30 DGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075236 622790806 /nfs/dbraw/zinc/79/08/06/622790806.db2.gz AVIOOJWOERKSKI-HONMWMINSA-N 0 3 308.403 3.311 20 30 DGEDHN N#Cc1ccc(CNCCCOc2ccccc2F)c(F)c1 ZINC000772903951 622952380 /nfs/dbraw/zinc/95/23/80/622952380.db2.gz FXJMVUNZRPQXFO-UHFFFAOYSA-N 0 3 302.324 3.395 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NCCC[C@@H]2C=CCC2)CC1 ZINC000872881649 622993251 /nfs/dbraw/zinc/99/32/51/622993251.db2.gz PMXJBOCRQIITDC-MRXNPFEDSA-N 0 3 305.466 3.073 20 30 DGEDHN C#CCSCCNCc1ccc(F)cc1Br ZINC000124312023 622996494 /nfs/dbraw/zinc/99/64/94/622996494.db2.gz GCRVKRWAYBUSCN-UHFFFAOYSA-N 0 3 302.212 3.044 20 30 DGEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000773975422 623095120 /nfs/dbraw/zinc/09/51/20/623095120.db2.gz KTQHLSIDGWEMSA-DOMZBBRYSA-N 0 3 316.401 3.415 20 30 DGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)cc1 ZINC000773978758 623096025 /nfs/dbraw/zinc/09/60/25/623096025.db2.gz VMBXCDROMDVJGS-IUODEOHRSA-N 0 3 316.401 3.415 20 30 DGEDHN CC[C@@](C)(NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000775389448 623265041 /nfs/dbraw/zinc/26/50/41/623265041.db2.gz FETFQJVZYDQZDQ-LJQANCHMSA-N 0 3 307.397 3.412 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)COc1c(C)cccc1C)c1ccccc1 ZINC000775398784 623267719 /nfs/dbraw/zinc/26/77/19/623267719.db2.gz LULPTIIUCDDSQR-UXHICEINSA-N 0 3 323.436 3.397 20 30 DGEDHN C#CC[C@H](NC[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000775400161 623268891 /nfs/dbraw/zinc/26/88/91/623268891.db2.gz XDNKWOKGFARLAM-DLBZAZTESA-N 0 3 301.336 3.352 20 30 DGEDHN Cn1cc([C@@H](NCc2ccc(OCC#N)cc2)C(C)(C)C)cn1 ZINC000775550080 623288334 /nfs/dbraw/zinc/28/83/34/623288334.db2.gz XCSASTYMYWHKPZ-QGZVFWFLSA-N 0 3 312.417 3.199 20 30 DGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2([C@@H](O)C(C)C)CC2)c([O-])c1 ZINC000775629277 623298948 /nfs/dbraw/zinc/29/89/48/623298948.db2.gz CXQLLSDOEXXIST-TYJAPOHBSA-N 0 3 318.461 3.454 20 30 DGEDHN C=C(C)[C@H](NCCCN1CCOC1=O)c1ccc(F)c(F)c1 ZINC000775723260 623320045 /nfs/dbraw/zinc/32/00/45/623320045.db2.gz IMPUTEMNMWRDDY-HNNXBMFYSA-N 0 3 310.344 3.014 20 30 DGEDHN C[C@@H](NCc1cccnc1-n1ccnc1)c1ccc(C#N)c(F)c1 ZINC000776727001 623455945 /nfs/dbraw/zinc/45/59/45/623455945.db2.gz RCYHQWHJYQURPC-CYBMUJFWSA-N 0 3 321.359 3.129 20 30 DGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C#N)c(F)c1 ZINC000776743365 623458353 /nfs/dbraw/zinc/45/83/53/623458353.db2.gz NHHQGJCGWCPKQT-CYBMUJFWSA-N 0 3 309.344 3.451 20 30 DGEDHN C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000776739758 623458424 /nfs/dbraw/zinc/45/84/24/623458424.db2.gz TVRMIBDTBQPDHN-CYBMUJFWSA-N 0 3 311.360 3.377 20 30 DGEDHN CC(C)CNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000777601078 623547185 /nfs/dbraw/zinc/54/71/85/623547185.db2.gz OHPXOIAKGXDOER-HNNXBMFYSA-N 0 3 313.445 3.103 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](CCC)CCO ZINC000778172364 623619671 /nfs/dbraw/zinc/61/96/71/623619671.db2.gz IINZCVXBQSWJTO-AWEZNQCLSA-N 0 3 309.837 3.240 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC1(CCO)CCCC1 ZINC000778173797 623620565 /nfs/dbraw/zinc/62/05/65/623620565.db2.gz YJBDVLGLEVIOLP-UHFFFAOYSA-N 0 3 321.848 3.384 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000876548455 623640830 /nfs/dbraw/zinc/64/08/30/623640830.db2.gz HMCSWCGKCUYMOH-GFCCVEGCSA-N 0 3 321.635 3.122 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000876570810 623647474 /nfs/dbraw/zinc/64/74/74/623647474.db2.gz OTLKBPOLAUAZCM-OAHLLOKOSA-N 0 3 306.837 3.085 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000876572413 623648606 /nfs/dbraw/zinc/64/86/06/623648606.db2.gz XJDQUALDPHAHSE-QWHCGFSZSA-N 0 3 301.217 3.377 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000876625350 623663285 /nfs/dbraw/zinc/66/32/85/623663285.db2.gz XOWKRWPSGQGKDA-HNNXBMFYSA-N 0 3 319.836 3.179 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000876648517 623670491 /nfs/dbraw/zinc/67/04/91/623670491.db2.gz AOJUYNWMCXAVLO-MRXNPFEDSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000876669442 623676331 /nfs/dbraw/zinc/67/63/31/623676331.db2.gz MLSOYVRCLIWCPA-HNNXBMFYSA-N 0 3 310.800 3.034 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000876673465 623677712 /nfs/dbraw/zinc/67/77/12/623677712.db2.gz NKVRNCZVGZCFAQ-KYOSRNDESA-N 0 3 310.800 3.000 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000876679822 623680028 /nfs/dbraw/zinc/68/00/28/623680028.db2.gz UDNIUYMCQHPZBC-HOTGVXAUSA-N 0 3 306.837 3.437 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000876693020 623684180 /nfs/dbraw/zinc/68/41/80/623684180.db2.gz NFRIHUSOXPAPSY-AEFFLSMTSA-N 0 3 320.864 3.328 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)CCCC)cc1 ZINC000876757899 623698821 /nfs/dbraw/zinc/69/88/21/623698821.db2.gz CNLXBQAZIYVNRC-OAHLLOKOSA-N 0 3 309.841 3.331 20 30 DGEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(F)cc1C ZINC000778995949 623718450 /nfs/dbraw/zinc/71/84/50/623718450.db2.gz GJTOLKKECJSGAA-SFHVURJKSA-N 0 3 303.377 3.491 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC000779050439 623724643 /nfs/dbraw/zinc/72/46/43/623724643.db2.gz PNYBBMPOSSVYIG-QGZVFWFLSA-N 0 3 307.459 3.027 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)CSc1ccccc1 ZINC000876888027 623737531 /nfs/dbraw/zinc/73/75/31/623737531.db2.gz MLRLEYLQJNGPDX-TZMCWYRMSA-N 0 3 312.866 3.143 20 30 DGEDHN N#Cc1cnc(Cl)c(CNCCCOC2CCCCC2)c1 ZINC000876900967 623739780 /nfs/dbraw/zinc/73/97/80/623739780.db2.gz VPDHLYCSUDLVJP-UHFFFAOYSA-N 0 3 307.825 3.436 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)[C@H]1CCCc2cccnc21 ZINC000876900772 623739893 /nfs/dbraw/zinc/73/98/93/623739893.db2.gz QRFVISWQRGMUPI-GJZGRUSLSA-N 0 3 321.852 3.168 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000876910658 623741654 /nfs/dbraw/zinc/74/16/54/623741654.db2.gz IFXNMZXWSJSYFG-MNOVXSKESA-N 0 3 324.774 3.037 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000876952470 623752713 /nfs/dbraw/zinc/75/27/13/623752713.db2.gz QCNCLTSLWMRHGK-NSHDSACASA-N 0 3 319.207 3.300 20 30 DGEDHN C[C@@H](Cc1ccccc1F)NCc1cc(C#N)cnc1Cl ZINC000876959880 623754489 /nfs/dbraw/zinc/75/44/89/623754489.db2.gz YILCLBCYJWUKRY-NSHDSACASA-N 0 3 303.768 3.467 20 30 DGEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2CCOCC2)n1 ZINC000877041098 623773846 /nfs/dbraw/zinc/77/38/46/623773846.db2.gz CHFNZMMDBOIFKF-LJQANCHMSA-N 0 3 307.397 3.211 20 30 DGEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(CO)cc2)c1 ZINC000877045847 623775112 /nfs/dbraw/zinc/77/51/12/623775112.db2.gz DXLPEPGWONVPAX-GOSISDBHSA-N 0 3 310.397 3.150 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000877053796 623777035 /nfs/dbraw/zinc/77/70/35/623777035.db2.gz BNZSZPODPLQXBA-CABCVRRESA-N 0 3 324.827 3.390 20 30 DGEDHN CN(CCc1ccncc1)Cc1cc(Cl)ccc1OCC#N ZINC000779598541 623780513 /nfs/dbraw/zinc/78/05/13/623780513.db2.gz LGFATEAGUYWDEU-UHFFFAOYSA-N 0 3 315.804 3.312 20 30 DGEDHN N#Cc1cnc(Cl)c(CN[C@@H](CCO)C2CCCCC2)c1 ZINC000877128850 623798860 /nfs/dbraw/zinc/79/88/60/623798860.db2.gz WZIBDTCJOPIKSQ-HNNXBMFYSA-N 0 3 307.825 3.028 20 30 DGEDHN CC(C)(C)OC(=O)N1CC2CC1(CN1CCC(C)(C#N)CC1)C2 ZINC000877181976 623818918 /nfs/dbraw/zinc/81/89/18/623818918.db2.gz IDICDIHSLZSAOO-UHFFFAOYSA-N 0 3 319.449 3.012 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@]1(C)Cc1ccc(C)cc1 ZINC000877203433 623826366 /nfs/dbraw/zinc/82/63/66/623826366.db2.gz CLXXASKUHLDHRO-FUHWJXTLSA-N 0 3 320.864 3.389 20 30 DGEDHN C=C[C@@H](CC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877341316 623856488 /nfs/dbraw/zinc/85/64/88/623856488.db2.gz SYEWIIURSIITGE-OXJNMPFZSA-N 0 3 320.436 3.177 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CCC([C@H]2CCCO2)CC1 ZINC000877463606 623894208 /nfs/dbraw/zinc/89/42/08/623894208.db2.gz HGOHVMMRNYAGNC-LJQANCHMSA-N 0 3 313.445 3.015 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](NCCC#N)CC[C@@H]21 ZINC000877484007 623905217 /nfs/dbraw/zinc/90/52/17/623905217.db2.gz SROJLMXXWHGHQH-ILXRZTDVSA-N 0 3 307.438 3.058 20 30 DGEDHN C[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000781422360 624068857 /nfs/dbraw/zinc/06/88/57/624068857.db2.gz XIYDAIRQXDQLRN-DIFFPNOSSA-N 0 3 302.324 3.221 20 30 DGEDHN CN(C(=O)OC(C)(C)C)C1CCN(CC2(CC#N)CC2)CC1 ZINC000878085326 624161823 /nfs/dbraw/zinc/16/18/23/624161823.db2.gz JCMJENPOGDHYAB-UHFFFAOYSA-N 0 3 307.438 3.012 20 30 DGEDHN CC(=NN[C@@H]1CCCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000782286212 624232988 /nfs/dbraw/zinc/23/29/88/624232988.db2.gz GYLDGZUTFZLYNF-GOSISDBHSA-N 0 3 315.461 3.416 20 30 DGEDHN N#CCC[C@H](NC[C@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000878375283 624260558 /nfs/dbraw/zinc/26/05/58/624260558.db2.gz CVFIIKHZWNSUGP-MSOLQXFVSA-N 0 3 316.445 3.067 20 30 DGEDHN N#CCC1(CN2CCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000878613137 624321896 /nfs/dbraw/zinc/32/18/96/624321896.db2.gz GGOZGZZPAYTMNC-INIZCTEOSA-N 0 3 319.449 3.204 20 30 DGEDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(CC1(CC#N)CC1)C2 ZINC000879020414 624409816 /nfs/dbraw/zinc/40/98/16/624409816.db2.gz LGRYLSXGAJAIIS-RDTXWAMCSA-N 0 3 319.449 3.059 20 30 DGEDHN COC(=O)C[C@@](C)(NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000879442658 624549583 /nfs/dbraw/zinc/54/95/83/624549583.db2.gz XFRYAPBLFHRNKH-MRXNPFEDSA-N 0 3 306.793 3.033 20 30 DGEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@H]3C2)c(OC(F)F)c1 ZINC000879560921 624589948 /nfs/dbraw/zinc/58/99/48/624589948.db2.gz WWMUFJOWTDNGCV-UONOGXRCSA-N 0 3 324.396 3.345 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000879909817 624719357 /nfs/dbraw/zinc/71/93/57/624719357.db2.gz VAARXEGRFAHDME-INIZCTEOSA-N 0 3 304.434 3.016 20 30 DGEDHN COCC1(N(C)Cc2cc(Cl)ccc2OCC#N)CCC1 ZINC000880187854 624827948 /nfs/dbraw/zinc/82/79/48/624827948.db2.gz OLFDHSDCYKNOQF-UHFFFAOYSA-N 0 3 308.809 3.243 20 30 DGEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000786310793 624846926 /nfs/dbraw/zinc/84/69/26/624846926.db2.gz WWWHFRDBYBIRKO-HNNXBMFYSA-N 0 3 324.380 3.302 20 30 DGEDHN C=CC[C@H](C)N1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880217127 624848482 /nfs/dbraw/zinc/84/84/82/624848482.db2.gz OLLOWXQJDNLYAQ-RLFYNMQTSA-N 0 3 324.465 3.051 20 30 DGEDHN C=CCN1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 ZINC000880263828 624876638 /nfs/dbraw/zinc/87/66/38/624876638.db2.gz VHEDLHWCCOYNQI-UHFFFAOYSA-N 0 3 308.447 3.069 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CCCC2)c1 ZINC000786541591 624916621 /nfs/dbraw/zinc/91/66/21/624916621.db2.gz PVKYMKJOSRGDFJ-QGZVFWFLSA-N 0 3 312.413 3.291 20 30 DGEDHN CCC[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787080492 624977197 /nfs/dbraw/zinc/97/71/97/624977197.db2.gz VDWCWLZTVZWKDQ-GOEBONIOSA-N 0 3 300.402 3.180 20 30 DGEDHN CCC(=NN[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000788460781 625185370 /nfs/dbraw/zinc/18/53/70/625185370.db2.gz OERJUJMOTPRUBX-IBGZPJMESA-N 0 3 311.429 3.190 20 30 DGEDHN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000788608335 625227499 /nfs/dbraw/zinc/22/74/99/625227499.db2.gz FLZBEIINJIMDHM-RYUDHWBXSA-N 0 3 310.357 3.460 20 30 DGEDHN C#C[C@H](CCC)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000791013455 625737709 /nfs/dbraw/zinc/73/77/09/625737709.db2.gz DPUZNBXMSJWRBT-HZPDHXFCSA-N 0 3 321.490 3.232 20 30 DGEDHN C=CCC[C@@H](CO)NCc1cccc(F)c1OC(F)(F)F ZINC000883138747 625940990 /nfs/dbraw/zinc/94/09/90/625940990.db2.gz NQYPKUYBIRKDCP-NSHDSACASA-N 0 3 307.287 3.141 20 30 DGEDHN CCCCNC(=O)OC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000796158371 626027298 /nfs/dbraw/zinc/02/72/98/626027298.db2.gz KILALTOURDPVOQ-HNNXBMFYSA-N 0 3 309.454 3.307 20 30 DGEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)C1CCOCC1 ZINC000796653967 626070296 /nfs/dbraw/zinc/07/02/96/626070296.db2.gz KHWRBMRLBBHEBC-CYBMUJFWSA-N 0 3 312.369 3.457 20 30 DGEDHN CC(C)Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000796792889 626083646 /nfs/dbraw/zinc/08/36/46/626083646.db2.gz MFHAXZFJWKCVCY-RHSMWYFYSA-N 0 3 314.429 3.222 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2occ3c2CCC3)cc1 ZINC000796801037 626084672 /nfs/dbraw/zinc/08/46/72/626084672.db2.gz VMYJRCCQFCPUDH-INIZCTEOSA-N 0 3 322.364 3.292 20 30 DGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000797548148 626152134 /nfs/dbraw/zinc/15/21/34/626152134.db2.gz AHNIVFCNBBWHDN-MXASKKJJSA-N 0 3 312.413 3.051 20 30 DGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000797548547 626152167 /nfs/dbraw/zinc/15/21/67/626152167.db2.gz HEVDCPVSIULSOJ-NSHDSACASA-N 0 3 316.744 3.457 20 30 DGEDHN C=CCS(=O)(=O)CCN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000797997215 626188143 /nfs/dbraw/zinc/18/81/43/626188143.db2.gz RLZHVUFLYKCNAW-KRWDZBQOSA-N 0 3 321.486 3.281 20 30 DGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cn1 ZINC000799324817 626289484 /nfs/dbraw/zinc/28/94/84/626289484.db2.gz YEWXDIWQQVSEGR-GOSISDBHSA-N 0 3 300.377 3.332 20 30 DGEDHN C=CCN1CCC(NC(=O)N2CCc3ccsc3[C@@H]2C)CC1 ZINC000883343129 626654498 /nfs/dbraw/zinc/65/44/98/626654498.db2.gz ALUBAVOEBYLQEZ-ZDUSSCGKSA-N 0 3 319.474 3.027 20 30 DGEDHN C[C@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000883358522 626660147 /nfs/dbraw/zinc/66/01/47/626660147.db2.gz NAAQUUDMJBNNDX-QUBYGPBYSA-N 0 3 319.220 3.174 20 30 DGEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000883400984 626673804 /nfs/dbraw/zinc/67/38/04/626673804.db2.gz ZFCBYNKHDHVFOX-KRWDZBQOSA-N 0 3 300.377 3.304 20 30 DGEDHN C#C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804424718 626678307 /nfs/dbraw/zinc/67/83/07/626678307.db2.gz MVPOZELPQBOEBG-MKBNYLNASA-N 0 3 322.811 3.142 20 30 DGEDHN C=CCN(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000807401735 626755655 /nfs/dbraw/zinc/75/56/55/626755655.db2.gz UWLOMOCPPVGMPI-DOTOQJQBSA-N 0 3 303.450 3.284 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1(C)CCCC1 ZINC000809003537 626875815 /nfs/dbraw/zinc/87/58/15/626875815.db2.gz RWRDBYOTNITWPB-MRXNPFEDSA-N 0 3 312.413 3.324 20 30 DGEDHN C#Cc1ccc(CN2CCN(CCc3cccs3)CC2)cc1 ZINC000809547130 626918500 /nfs/dbraw/zinc/91/85/00/626918500.db2.gz IVJGYOREOLSLCO-UHFFFAOYSA-N 0 3 310.466 3.090 20 30 DGEDHN C#Cc1ccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000809577209 626921718 /nfs/dbraw/zinc/92/17/18/626921718.db2.gz MLUXJLRNJNAARV-CQSZACIVSA-N 0 3 302.418 3.013 20 30 DGEDHN C=CC[C@H](NCc1cc(OC)c(O)c(OC)c1)c1ccncc1 ZINC000809620612 626927319 /nfs/dbraw/zinc/92/73/19/626927319.db2.gz LLSURBYHWRABIG-HNNXBMFYSA-N 0 3 314.385 3.211 20 30 DGEDHN C#Cc1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1 ZINC000809637818 626931227 /nfs/dbraw/zinc/93/12/27/626931227.db2.gz PMBCFGHLHXUPCM-UHFFFAOYSA-N 0 3 301.393 3.358 20 30 DGEDHN C#Cc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC000809772021 626951343 /nfs/dbraw/zinc/95/13/43/626951343.db2.gz QADDRPNDINLJEC-YOEHRIQHSA-N 0 3 314.429 3.155 20 30 DGEDHN C=CCN(Cc1cccs1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000809965570 626963783 /nfs/dbraw/zinc/96/37/83/626963783.db2.gz LIIZSVQHKRNKFN-QGZVFWFLSA-N 0 3 324.465 3.475 20 30 DGEDHN N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccccc3)[n-]1)CC2 ZINC000810234023 626990727 /nfs/dbraw/zinc/99/07/27/626990727.db2.gz VNZQCWFKIURYHV-QGZVFWFLSA-N 0 3 315.380 3.120 20 30 DGEDHN COc1cccnc1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000810522053 627010902 /nfs/dbraw/zinc/01/09/02/627010902.db2.gz WKOVNBFIVYSHJI-LLVKDONJSA-N 0 3 323.377 3.119 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810532959 627012999 /nfs/dbraw/zinc/01/29/99/627012999.db2.gz WYEVJFVFQQUUQY-UKRRQHHQSA-N 0 3 316.426 3.040 20 30 DGEDHN Cc1csc(C2(NC[C@H](O)CC3(C#N)CCC3)CCCC2)n1 ZINC000886072337 627098798 /nfs/dbraw/zinc/09/87/98/627098798.db2.gz DKJPGWDAMRLNNA-CQSZACIVSA-N 0 3 319.474 3.255 20 30 DGEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000886111918 627107065 /nfs/dbraw/zinc/10/70/65/627107065.db2.gz LACFIBAVFHPLJJ-XJKSGUPXSA-N 0 3 308.372 3.450 20 30 DGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@@H](O)CC1(C#N)CCC1 ZINC000886120754 627108383 /nfs/dbraw/zinc/10/83/83/627108383.db2.gz MYLPWJHYNUPYHQ-AGIUHOORSA-N 0 3 304.356 3.094 20 30 DGEDHN COC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000886209481 627121445 /nfs/dbraw/zinc/12/14/45/627121445.db2.gz NSYOTSVIPGELQU-HOTGVXAUSA-N 0 3 322.836 3.062 20 30 DGEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000886209482 627121814 /nfs/dbraw/zinc/12/18/14/627121814.db2.gz NSYOTSVIPGELQU-HZPDHXFCSA-N 0 3 322.836 3.062 20 30 DGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000886353730 627141338 /nfs/dbraw/zinc/14/13/38/627141338.db2.gz OEMPBGVNWLDWOV-UONOGXRCSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000886355893 627141842 /nfs/dbraw/zinc/14/18/42/627141842.db2.gz PGQAEJDWPGVBCN-KGLIPLIRSA-N 0 3 302.443 3.081 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCN(C)CC1 ZINC000886579748 627166888 /nfs/dbraw/zinc/16/68/88/627166888.db2.gz HAPPMDZBJDGKSX-OKZBNKHCSA-N 0 3 316.489 3.149 20 30 DGEDHN C#CCN(C(=O)c1cc(C)c(C)cc1Cl)C1CCN(C)CC1 ZINC000886579086 627167048 /nfs/dbraw/zinc/16/70/48/627167048.db2.gz XMAQBWPWZJLCHB-UHFFFAOYSA-N 0 3 318.848 3.126 20 30 DGEDHN C=CCC1(O)CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000886769403 627202587 /nfs/dbraw/zinc/20/25/87/627202587.db2.gz UPKMLSKIWJVZKE-UHFFFAOYSA-N 0 3 313.397 3.004 20 30 DGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886832727 627210277 /nfs/dbraw/zinc/21/02/77/627210277.db2.gz MAWLRDNOZMKFSU-BBRMVZONSA-N 0 3 320.820 3.243 20 30 DGEDHN C#C[C@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000812342535 627373286 /nfs/dbraw/zinc/37/32/86/627373286.db2.gz ODAPLZKCKLCNAN-BHYGNILZSA-N 0 3 315.461 3.025 20 30 DGEDHN C#C[C@H](NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1)C(C)(C)C ZINC000812350601 627374054 /nfs/dbraw/zinc/37/40/54/627374054.db2.gz SRFPNSWFDQBUFX-YCPHGPKFSA-N 0 3 319.449 3.056 20 30 DGEDHN C#CCN(CC#CC)CCCCCn1c(C)nc2ccccc21 ZINC000812827254 627426633 /nfs/dbraw/zinc/42/66/33/627426633.db2.gz NHZDTFJAIZEDJR-UHFFFAOYSA-N 0 3 307.441 3.474 20 30 DGEDHN CCC#C[C@@H](C)N1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000812857946 627430768 /nfs/dbraw/zinc/43/07/68/627430768.db2.gz VSGLKRJDRYNQMU-DNVCBOLYSA-N 0 3 301.430 3.243 20 30 DGEDHN CCCCCCCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889774961 627466103 /nfs/dbraw/zinc/46/61/03/627466103.db2.gz KSQIPCNFBGDXSD-MSOLQXFVSA-N 0 3 324.509 3.185 20 30 DGEDHN CCO[C@H](CC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215783 627468224 /nfs/dbraw/zinc/46/82/24/627468224.db2.gz BRQVVTMLMFKWAW-CMPLNLGQSA-N 0 3 300.280 3.092 20 30 DGEDHN CCO[C@H](CC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215786 627468344 /nfs/dbraw/zinc/46/83/44/627468344.db2.gz BRQVVTMLMFKWAW-ZYHUDNBSSA-N 0 3 300.280 3.092 20 30 DGEDHN C#CCOc1ccccc1CN[C@@H]1CCN(c2ccccc2F)C1 ZINC000813791719 627512322 /nfs/dbraw/zinc/51/23/22/627512322.db2.gz IZQOBJDUHZUYEZ-QGZVFWFLSA-N 0 3 324.399 3.206 20 30 DGEDHN CCC(=NNCCN1CCCCC1)c1ccc(Cl)c(N)c1 ZINC000814808499 627593389 /nfs/dbraw/zinc/59/33/89/627593389.db2.gz NHDXHRQFUMQASS-UHFFFAOYSA-N 0 3 308.857 3.112 20 30 DGEDHN COc1cc2c(cc1CN[C@H](C)CC(C)(C)C#N)O[C@@H](C)C2 ZINC000924630877 627660013 /nfs/dbraw/zinc/66/00/13/627660013.db2.gz JKUJNISEBBGWTG-OLZOCXBDSA-N 0 3 302.418 3.437 20 30 DGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC(C)(C)C1CC1 ZINC000816038667 627729270 /nfs/dbraw/zinc/72/92/70/627729270.db2.gz CZFMPWIXXLLJCB-MRXNPFEDSA-N 0 3 312.413 3.180 20 30 DGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@]1(C(F)(F)F)CCCN1 ZINC000925859100 627806986 /nfs/dbraw/zinc/80/69/86/627806986.db2.gz ZBXRKMPNFHFXNA-JKSUJKDBSA-N 0 3 323.362 3.210 20 30 DGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817281404 627876775 /nfs/dbraw/zinc/87/67/75/627876775.db2.gz KROAIMCIRVOYJQ-DZGCQCFKSA-N 0 3 312.335 3.256 20 30 DGEDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 ZINC000926385829 627887968 /nfs/dbraw/zinc/88/79/68/627887968.db2.gz XAEJLVBLPORJCG-UONOGXRCSA-N 0 3 322.474 3.459 20 30 DGEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000817407200 627893725 /nfs/dbraw/zinc/89/37/25/627893725.db2.gz FEWDNZRKOWPQBH-UHFFFAOYSA-N 0 3 321.396 3.044 20 30 DGEDHN CC1CCC2(CC1)OC[C@H](CNCc1ccc(C#N)c(F)c1)O2 ZINC000817408640 627894745 /nfs/dbraw/zinc/89/47/45/627894745.db2.gz KIRJPLJBFUDALX-MNQCNDSGSA-N 0 3 318.392 3.109 20 30 DGEDHN C=CCCSCCN[C@@H](C)c1cnnn1-c1ccccc1 ZINC000926686373 627933225 /nfs/dbraw/zinc/93/32/25/627933225.db2.gz VMQVBWCIFFWJGH-AWEZNQCLSA-N 0 3 302.447 3.227 20 30 DGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000927141639 628025769 /nfs/dbraw/zinc/02/57/69/628025769.db2.gz YJGDNHBNYNMYAI-LPTQZCDUSA-N 0 3 321.420 3.398 20 30 DGEDHN CC[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccc(C)cc1[O-] ZINC000927166158 628030517 /nfs/dbraw/zinc/03/05/17/628030517.db2.gz WGTIPVUGUGYIRO-INIZCTEOSA-N 0 3 310.401 3.120 20 30 DGEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000818592850 628039951 /nfs/dbraw/zinc/03/99/51/628039951.db2.gz BKPFDEQRWAQYOI-UHFFFAOYSA-N 0 3 316.426 3.001 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C ZINC000818599084 628040437 /nfs/dbraw/zinc/04/04/37/628040437.db2.gz ABBYJYMQDODUPO-QGZVFWFLSA-N 0 3 320.864 3.151 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000818595932 628040757 /nfs/dbraw/zinc/04/07/57/628040757.db2.gz UKKGVXQZNLRCAC-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000818595605 628040820 /nfs/dbraw/zinc/04/08/20/628040820.db2.gz DHFIIDOEOMQCTD-INIZCTEOSA-N 0 3 308.425 3.015 20 30 DGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929162876 628218776 /nfs/dbraw/zinc/21/87/76/628218776.db2.gz UPPYQNUSTLJSHT-HUUCEWRRSA-N 0 3 312.335 3.490 20 30 DGEDHN CCN(C(=O)C#CC(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000823126269 628529115 /nfs/dbraw/zinc/52/91/15/628529115.db2.gz WLBIZSYBHJZMDW-IEBWSBKVSA-N 0 3 312.457 3.330 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000823141853 628530681 /nfs/dbraw/zinc/53/06/81/628530681.db2.gz MINXQOCLVCVEBO-LJQANCHMSA-N 0 3 312.457 3.235 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823894941 628607931 /nfs/dbraw/zinc/60/79/31/628607931.db2.gz ZWVMNIZUVPRNBR-CQSZACIVSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823894941 628607933 /nfs/dbraw/zinc/60/79/33/628607933.db2.gz ZWVMNIZUVPRNBR-CQSZACIVSA-N 0 3 303.385 3.230 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894580 628608153 /nfs/dbraw/zinc/60/81/53/628608153.db2.gz UHOCYKDCFDLBPD-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894580 628608154 /nfs/dbraw/zinc/60/81/54/628608154.db2.gz UHOCYKDCFDLBPD-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894580 628608155 /nfs/dbraw/zinc/60/81/55/628608155.db2.gz UHOCYKDCFDLBPD-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN C=CCCCCC[N@H+](C)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894580 628608156 /nfs/dbraw/zinc/60/81/56/628608156.db2.gz UHOCYKDCFDLBPD-UHFFFAOYSA-N 0 3 315.421 3.054 20 30 DGEDHN CCCC1CCC(CN2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC000824867619 628701799 /nfs/dbraw/zinc/70/17/99/628701799.db2.gz SUKSHGDLQFLDMI-UHFFFAOYSA-N 0 3 306.450 3.372 20 30 DGEDHN C#Cc1cccc(CN[C@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000825226898 628739710 /nfs/dbraw/zinc/73/97/10/628739710.db2.gz ODSRQCQDKJICPA-CQSZACIVSA-N 0 3 322.408 3.486 20 30 DGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C#Cc2cccs2)C1 ZINC000825389416 628756685 /nfs/dbraw/zinc/75/66/85/628756685.db2.gz NJGPRWYQWUZZBL-WBVHZDCISA-N 0 3 324.449 3.051 20 30 DGEDHN CCCCCCCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000826603471 628864098 /nfs/dbraw/zinc/86/40/98/628864098.db2.gz XGUVWZRFACFSRT-TXPKVOOTSA-N 0 3 324.509 3.386 20 30 DGEDHN C#C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000827554555 628970119 /nfs/dbraw/zinc/97/01/19/628970119.db2.gz GOEMNSVPQLKPQN-INIZCTEOSA-N 0 3 322.330 3.095 20 30 DGEDHN C#C[C@@H](NCc1c(C)nn(-c2ccccc2)c1C)C1CCOCC1 ZINC000827570042 628972092 /nfs/dbraw/zinc/97/20/92/628972092.db2.gz IBFAMCLIGPFTCN-HXUWFJFHSA-N 0 3 323.440 3.007 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000827629481 628978057 /nfs/dbraw/zinc/97/80/57/628978057.db2.gz KNINDGAYKVJIMH-CQSZACIVSA-N 0 3 311.385 3.345 20 30 DGEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000101583315 629743020 /nfs/dbraw/zinc/74/30/20/629743020.db2.gz KVCQQUNEMHIJCB-HOTGVXAUSA-N 0 3 322.408 3.267 20 30 DGEDHN C#Cc1cccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000834904205 629803814 /nfs/dbraw/zinc/80/38/14/629803814.db2.gz WGSIZGNOTBOIKR-OAHLLOKOSA-N 0 3 319.408 3.048 20 30 DGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(C)ccc1F ZINC000835058011 629839849 /nfs/dbraw/zinc/83/98/49/629839849.db2.gz WBKHYPFWOBUIPR-HNNXBMFYSA-N 0 3 318.392 3.082 20 30 DGEDHN CN1CCC[C@@H](CNC(=O)C#CC(C)(C)C)[C@@H]1c1cccs1 ZINC000837435925 630257093 /nfs/dbraw/zinc/25/70/93/630257093.db2.gz STENPNKMNXOOSV-WMLDXEAASA-N 0 3 318.486 3.297 20 30 DGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)C)cc1 ZINC000840890543 630373257 /nfs/dbraw/zinc/37/32/57/630373257.db2.gz NZVHKJQMRPBMOT-KBPBESRZSA-N 0 3 324.852 3.382 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000840962418 630387333 /nfs/dbraw/zinc/38/73/33/630387333.db2.gz BJBPPKGZKBKHMK-RDBSUJKOSA-N 0 3 307.821 3.255 20 30 DGEDHN C#CC1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000843426690 630656966 /nfs/dbraw/zinc/65/69/66/630656966.db2.gz GRUJCISDHHGLKR-UHFFFAOYSA-N 0 3 315.417 3.274 20 30 DGEDHN C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC2(CCC2)O1 ZINC000843435700 630658696 /nfs/dbraw/zinc/65/86/96/630658696.db2.gz RLYZJLSGVZGKCU-INIZCTEOSA-N 0 3 313.445 3.180 20 30 DGEDHN C#Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000844310878 630717801 /nfs/dbraw/zinc/71/78/01/630717801.db2.gz VNADXZZEIZLLKX-KGLIPLIRSA-N 0 3 311.303 3.354 20 30 DGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000105486271 630718143 /nfs/dbraw/zinc/71/81/43/630718143.db2.gz JWKFHTYHYUAGLF-FZKQIMNGSA-N 0 3 308.381 3.460 20 30 DGEDHN CN(CCC1(C#N)CCCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371441 630722160 /nfs/dbraw/zinc/72/21/60/630722160.db2.gz OHBLEFZDLSMUDC-GOSISDBHSA-N 0 3 311.429 3.388 20 30 DGEDHN C#CCCCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000844964209 631012237 /nfs/dbraw/zinc/01/22/37/631012237.db2.gz NIBGHNPTNQYQHC-FQEVSTJZSA-N 0 3 312.457 3.351 20 30 DGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000845729591 631191829 /nfs/dbraw/zinc/19/18/29/631191829.db2.gz BMVQITBYZBGNNG-MRXNPFEDSA-N 0 3 312.413 3.271 20 30 DGEDHN CC([C@@H](OC(=O)CC(C)(C)C#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877650 631200724 /nfs/dbraw/zinc/20/07/24/631200724.db2.gz FWZINRRURYUBSQ-IINYFYTJSA-N 0 3 308.309 3.015 20 30 DGEDHN CC(C)(C)OC(=O)NC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000846011453 631205764 /nfs/dbraw/zinc/20/57/64/631205764.db2.gz VWYUGVRSJMJKDR-UHFFFAOYSA-N 0 3 321.465 3.496 20 30 DGEDHN CC(C)O[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000846013871 631206089 /nfs/dbraw/zinc/20/60/89/631206089.db2.gz FKWPDUZNEWIRFU-CRAIPNDOSA-N 0 3 302.418 3.367 20 30 DGEDHN CC([C@@H](OC(=O)CCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000847737957 631528892 /nfs/dbraw/zinc/52/88/92/631528892.db2.gz YPXQFDMVDBGZSK-IAQYHMDHSA-N 0 3 308.309 3.159 20 30 DGEDHN CC([C@@H](OC(=O)CCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000847737960 631529487 /nfs/dbraw/zinc/52/94/87/631529487.db2.gz YPXQFDMVDBGZSK-XHDPSFHLSA-N 0 3 308.309 3.159 20 30 DGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000848396591 631653769 /nfs/dbraw/zinc/65/37/69/631653769.db2.gz NUDCBZKWYZWKDR-JTQLQIEISA-N 0 3 313.373 3.351 20 30 DGEDHN Brc1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848405199 631654778 /nfs/dbraw/zinc/65/47/78/631654778.db2.gz CJBRHMUBRFABIL-ZDUSSCGKSA-N 0 3 323.238 3.260 20 30 DGEDHN CCCCc1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848406647 631655876 /nfs/dbraw/zinc/65/58/76/631655876.db2.gz ORONHDSDGJHWSJ-KRWDZBQOSA-N 0 3 301.434 3.403 20 30 DGEDHN CCCCN(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848413810 631657561 /nfs/dbraw/zinc/65/75/61/631657561.db2.gz KEMDQAKUOITMLQ-KRWDZBQOSA-N 0 3 316.449 3.273 20 30 DGEDHN C=C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848532961 631680700 /nfs/dbraw/zinc/68/07/00/631680700.db2.gz NJXNDPYLWYQEBE-IUCAKERBSA-N 0 3 300.196 3.388 20 30 DGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107877043 631751840 /nfs/dbraw/zinc/75/18/40/631751840.db2.gz QGLKEUIBNFHFOA-KZNAEPCWSA-N 0 3 320.392 3.177 20 30 DGEDHN CC(C)(C)OC(=O)N1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000849350716 631901826 /nfs/dbraw/zinc/90/18/26/631901826.db2.gz SRCKECULRWWOCW-UHFFFAOYSA-N 0 3 321.465 3.450 20 30 DGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(C2OCCO2)s1 ZINC000850342345 632119494 /nfs/dbraw/zinc/11/94/94/632119494.db2.gz POZFTMBQYYIKTM-QWHCGFSZSA-N 0 3 308.447 3.413 20 30 DGEDHN C=CCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000850501372 632173694 /nfs/dbraw/zinc/17/36/94/632173694.db2.gz BIDIFXPFPGLQMU-VIFPVBQESA-N 0 3 300.196 3.390 20 30 DGEDHN C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(C#N)c(F)c1 ZINC000850533525 632184372 /nfs/dbraw/zinc/18/43/72/632184372.db2.gz AVOGYGHZXRBRDL-KMUNFCNLSA-N 0 3 310.319 3.162 20 30 DGEDHN C#CCOc1ccc([C@H](C)NC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850534754 632184665 /nfs/dbraw/zinc/18/46/65/632184665.db2.gz QJFRKHDXGQQYFQ-XKQJLSEDSA-N 0 3 321.367 3.164 20 30 DGEDHN C=CCN(C[C@H](O)c1ccc(Cl)c(F)c1)[C@H](C)COC ZINC000852356830 632594285 /nfs/dbraw/zinc/59/42/85/632594285.db2.gz PJVLNSPIOWRXPD-ABAIWWIYSA-N 0 3 301.789 3.035 20 30 DGEDHN C=CCN(C[C@H](O)c1cccc(C(F)(F)F)c1)[C@H](C)COC ZINC000852357946 632594386 /nfs/dbraw/zinc/59/43/86/632594386.db2.gz KBQUVCYBFMJFJR-DOMZBBRYSA-N 0 3 317.351 3.262 20 30 DGEDHN C=CCN(C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000852356832 632594859 /nfs/dbraw/zinc/59/48/59/632594859.db2.gz PJVLNSPIOWRXPD-NHYWBVRUSA-N 0 3 301.789 3.035 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(CC)CC)no2)[C@H](C)C1 ZINC000943374622 660186322 /nfs/dbraw/zinc/18/63/22/660186322.db2.gz NWSWZFYHDMFLEC-HIFRSBDPSA-N 0 3 319.449 3.204 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)c2csc(C(C)(C)C)n2)[C@H](C)C1 ZINC000943550302 660191707 /nfs/dbraw/zinc/19/17/07/660191707.db2.gz XMIJPBGIOFFJNL-OLZOCXBDSA-N 0 3 321.490 3.067 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H](C)C1 ZINC000943745032 660197805 /nfs/dbraw/zinc/19/78/05/660197805.db2.gz QLKPMKMIMNLWON-NCXUSEDFSA-N 0 3 318.505 3.299 20 30 DGEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000072678693 660212634 /nfs/dbraw/zinc/21/26/34/660212634.db2.gz LYYBBCMEJAEAEK-HVHJFMEUSA-N 0 3 324.359 3.033 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](C)C1 ZINC000944170400 660213488 /nfs/dbraw/zinc/21/34/88/660213488.db2.gz SPRUNTVNYMYGDS-DZGCQCFKSA-N 0 3 304.434 3.031 20 30 DGEDHN 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MYCUGUHAOUIJFW-LJQANCHMSA-N 0 3 306.409 3.009 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(OC(C)C)cc2)C1 ZINC001033635213 660642914 /nfs/dbraw/zinc/64/29/14/660642914.db2.gz GIJAYBCKTXMPEH-KRWDZBQOSA-N 0 3 316.445 3.196 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001033647646 660646047 /nfs/dbraw/zinc/64/60/47/660646047.db2.gz DUCAPUSGNYWQAL-CQSZACIVSA-N 0 3 322.836 3.071 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sc(C(C)C)nc2C)C1 ZINC001033656530 660646254 /nfs/dbraw/zinc/64/62/54/660646254.db2.gz QNSQFWBULRIREH-AWEZNQCLSA-N 0 3 321.490 3.297 20 30 DGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(C3CCCC3)no2)C1 ZINC001033670530 660647802 /nfs/dbraw/zinc/64/78/02/660647802.db2.gz ZNFNXEIZUWCBAG-HNNXBMFYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)c3occc32)C1 ZINC001033676148 660648624 /nfs/dbraw/zinc/64/86/24/660648624.db2.gz SIQGKVOHXQIGKC-CYBMUJFWSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001033681068 660649427 /nfs/dbraw/zinc/64/94/27/660649427.db2.gz RHIFMLVPADZAGZ-HIFRSBDPSA-N 0 3 322.399 3.177 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001033707993 660652814 /nfs/dbraw/zinc/65/28/14/660652814.db2.gz WYOBCXMOXWXXOR-QGZVFWFLSA-N 0 3 323.440 3.404 20 30 DGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033711171 660654219 /nfs/dbraw/zinc/65/42/19/660654219.db2.gz MQJGIAHKZKNHRE-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001033716699 660654933 /nfs/dbraw/zinc/65/49/33/660654933.db2.gz XJRPWHNCDXCDNL-AWEZNQCLSA-N 0 3 315.392 3.029 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(F)c2C)C1 ZINC001033841600 660669070 /nfs/dbraw/zinc/66/90/70/660669070.db2.gz XRSWXXSTQOBGAB-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033937298 660682248 /nfs/dbraw/zinc/68/22/48/660682248.db2.gz YESGMOMPIOMPGJ-AWEZNQCLSA-N 0 3 322.811 3.039 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033970860 660687307 /nfs/dbraw/zinc/68/73/07/660687307.db2.gz UJPFVVXMVPAHCN-CQSZACIVSA-N 0 3 322.811 3.039 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2F)C1 ZINC001033965154 660688981 /nfs/dbraw/zinc/68/89/81/660688981.db2.gz QGWBXDLZJFHCNW-OAHLLOKOSA-N 0 3 304.409 3.247 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033996059 660691677 /nfs/dbraw/zinc/69/16/77/660691677.db2.gz AZWRUWAZDRUAFQ-GUDVDZBRSA-N 0 3 318.505 3.395 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(C(F)F)c2)C1 ZINC001034022277 660698762 /nfs/dbraw/zinc/69/87/62/660698762.db2.gz GOZQXTBDZDDCJY-INIZCTEOSA-N 0 3 320.383 3.184 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)c2conc2C2CCCC2)CC1 ZINC001005498591 660696466 /nfs/dbraw/zinc/69/64/66/660696466.db2.gz WRTWDTOMCKBTSZ-UHFFFAOYSA-N 0 3 317.433 3.055 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034033965 660697053 /nfs/dbraw/zinc/69/70/53/660697053.db2.gz BOOBFLWFCUVGNP-MRXNPFEDSA-N 0 3 308.372 3.077 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034206726 660723572 /nfs/dbraw/zinc/72/35/72/660723572.db2.gz FARGVOMMBALWAQ-OTWHNJEPSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034206723 660723588 /nfs/dbraw/zinc/72/35/88/660723588.db2.gz FARGVOMMBALWAQ-FHWLQOOXSA-N 0 3 312.457 3.337 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001034211239 660724263 /nfs/dbraw/zinc/72/42/63/660724263.db2.gz NNUFBXQHVIOHDE-OAHLLOKOSA-N 0 3 319.449 3.267 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001034247709 660727254 /nfs/dbraw/zinc/72/72/54/660727254.db2.gz QXWQSMXJFVHVDI-MRXNPFEDSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034239551 660728272 /nfs/dbraw/zinc/72/82/72/660728272.db2.gz XYTZWNDVQDOESP-HNNXBMFYSA-N 0 3 301.434 3.053 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001034268987 660730852 /nfs/dbraw/zinc/73/08/52/660730852.db2.gz PUZWLZMOLXPEJO-MJGOQNOKSA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001034296412 660733775 /nfs/dbraw/zinc/73/37/75/660733775.db2.gz JUEJJSISDZJDIC-MRXNPFEDSA-N 0 3 323.440 3.395 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001034303004 660734671 /nfs/dbraw/zinc/73/46/71/660734671.db2.gz SXKLYWNRTRXKLD-SFHVURJKSA-N 0 3 323.440 3.248 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001034371528 660742533 /nfs/dbraw/zinc/74/25/33/660742533.db2.gz GNCAYRVNAGEIOQ-MRXNPFEDSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001034378540 660744917 /nfs/dbraw/zinc/74/49/17/660744917.db2.gz UVSPTVNXMVWJJQ-KRWDZBQOSA-N 0 3 323.440 3.248 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001034377337 660745180 /nfs/dbraw/zinc/74/51/80/660745180.db2.gz SIPNSSXUGOWNMT-CQSZACIVSA-N 0 3 322.399 3.434 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034395089 660747599 /nfs/dbraw/zinc/74/75/99/660747599.db2.gz SKGCSKMVVNDARH-HUUCEWRRSA-N 0 3 306.475 3.398 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001034431101 660752636 /nfs/dbraw/zinc/75/26/36/660752636.db2.gz FYMBYDMRBQABNH-GFCCVEGCSA-N 0 3 312.866 3.101 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001034413701 660750827 /nfs/dbraw/zinc/75/08/27/660750827.db2.gz LBHCIPVTJYEKBW-OAHLLOKOSA-N 0 3 318.848 3.256 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001034447180 660752123 /nfs/dbraw/zinc/75/21/23/660752123.db2.gz DQTUBTPOHLRBCJ-OAHLLOKOSA-N 0 3 318.436 3.260 20 30 DGEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001034471067 660758482 /nfs/dbraw/zinc/75/84/82/660758482.db2.gz AOPMMLXMWDWDHW-HNNXBMFYSA-N 0 3 316.420 3.014 20 30 DGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001034509901 660763769 /nfs/dbraw/zinc/76/37/69/660763769.db2.gz QSNJKSBJZJGLFQ-GFCCVEGCSA-N 0 3 312.360 3.378 20 30 DGEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001034483181 660761113 /nfs/dbraw/zinc/76/11/13/660761113.db2.gz BFKRHCHOFLTBIX-HNNXBMFYSA-N 0 3 316.470 3.233 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001034540241 660770408 /nfs/dbraw/zinc/77/04/08/660770408.db2.gz GULAJJRDJUEOFY-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001034540243 660770653 /nfs/dbraw/zinc/77/06/53/660770653.db2.gz GULAJJRDJUEOFY-WMLDXEAASA-N 0 3 304.409 3.086 20 30 DGEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001034543995 660771346 /nfs/dbraw/zinc/77/13/46/660771346.db2.gz LAUQYOQRZJPENM-MRXNPFEDSA-N 0 3 324.424 3.349 20 30 DGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001034546057 660772159 /nfs/dbraw/zinc/77/21/59/660772159.db2.gz FJRIPKSZVJMCSP-KRWDZBQOSA-N 0 3 304.409 3.317 20 30 DGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001034548697 660772640 /nfs/dbraw/zinc/77/26/40/660772640.db2.gz RTUWJGVVHLSTKW-CZUORRHYSA-N 0 3 318.848 3.136 20 30 DGEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc(C)c2Cl)CC1 ZINC001005704755 660792071 /nfs/dbraw/zinc/79/20/71/660792071.db2.gz NLPFHSBIPJFCEM-UHFFFAOYSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001014795022 660792677 /nfs/dbraw/zinc/79/26/77/660792677.db2.gz VAEGJLIURHTCKR-MGPQQGTHSA-N 0 3 318.383 3.122 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1cncc(C)c1 ZINC001035011800 660809018 /nfs/dbraw/zinc/80/90/18/660809018.db2.gz KFGRPDQORWCBAN-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)=C1CCCC1)CC2 ZINC001035678607 660844145 /nfs/dbraw/zinc/84/41/45/660844145.db2.gz NBDKDUGUQRELCU-UHFFFAOYSA-N 0 3 302.462 3.377 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)c(C)o1)CC2 ZINC001035687688 660844995 /nfs/dbraw/zinc/84/49/95/660844995.db2.gz FXBBLESKVIRPGJ-UHFFFAOYSA-N 0 3 302.418 3.011 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1(C)CCCC1)CC2 ZINC001035697932 660845455 /nfs/dbraw/zinc/84/54/55/660845455.db2.gz LKNLVLCIURVHDK-UHFFFAOYSA-N 0 3 304.478 3.457 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1sc(C)cc1C)CC2 ZINC001035713828 660846505 /nfs/dbraw/zinc/84/65/05/660846505.db2.gz IUJGCNDKTLRRDS-UHFFFAOYSA-N 0 3 318.486 3.479 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC13CC3)CC2 ZINC001035732307 660848050 /nfs/dbraw/zinc/84/80/50/660848050.db2.gz YJSXFBUYBFKUKG-INIZCTEOSA-N 0 3 302.462 3.067 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccn3ccccc13)CC2 ZINC001035747442 660850497 /nfs/dbraw/zinc/85/04/97/660850497.db2.gz MKNXBHKWCGPOMQ-UHFFFAOYSA-N 0 3 323.440 3.053 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](C)C1)CC2 ZINC001035779381 660850869 /nfs/dbraw/zinc/85/08/69/660850869.db2.gz MXYBHZFTLKCASS-SJORKVTESA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(CC)C(C)C)CC2 ZINC001035829467 660856499 /nfs/dbraw/zinc/85/64/99/660856499.db2.gz ZOWUYZCMTPHLOK-YLJYHZDGSA-N 0 3 316.489 3.006 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)c1ccccc1)CC2 ZINC001035838718 660857797 /nfs/dbraw/zinc/85/77/97/660857797.db2.gz AXQRFGKPPCDSIR-QGZVFWFLSA-N 0 3 312.457 3.291 20 30 DGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 ZINC001035840107 660857806 /nfs/dbraw/zinc/85/78/06/660857806.db2.gz RDBAJSDXDSSATB-QAQDUYKDSA-N 0 3 304.478 3.313 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)c1ccc(C)cc1)CC2 ZINC001035838684 660857829 /nfs/dbraw/zinc/85/78/29/660857829.db2.gz ZISUQJZFIPLHIZ-GOSISDBHSA-N 0 3 324.468 3.046 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)CC2 ZINC001035858425 660860399 /nfs/dbraw/zinc/86/03/99/660860399.db2.gz HSTSTRIBCCNMQT-IRXDYDNUSA-N 0 3 316.489 3.006 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001036439995 660905810 /nfs/dbraw/zinc/90/58/10/660905810.db2.gz MVTQTKKFYSMBEL-KGLIPLIRSA-N 0 3 321.490 3.072 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc[nH]c2C(C)C)CC1 ZINC001005861137 660943839 /nfs/dbraw/zinc/94/38/39/660943839.db2.gz VQFAUTOKMHUEBE-UHFFFAOYSA-N 0 3 303.450 3.251 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001006106021 660964191 /nfs/dbraw/zinc/96/41/91/660964191.db2.gz PMOBGLJUVVXECD-AWEZNQCLSA-N 0 3 319.449 3.301 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001006063972 660960739 /nfs/dbraw/zinc/96/07/39/660960739.db2.gz IQYJTEYNMCZSML-UHFFFAOYSA-N 0 3 311.429 3.280 20 30 DGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncsc2C(C)C)CC1 ZINC001006277790 660972067 /nfs/dbraw/zinc/97/20/67/660972067.db2.gz JKVJDNLJAQGGFI-UHFFFAOYSA-N 0 3 321.490 3.379 20 30 DGEDHN C#CCCN(CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC000792930802 660994687 /nfs/dbraw/zinc/99/46/87/660994687.db2.gz KSSMVXGNXWPETL-UHFFFAOYSA-N 0 3 316.445 3.079 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC000969114296 655523901 /nfs/dbraw/zinc/52/39/01/655523901.db2.gz FUSGDDWJAHASCK-OAHLLOKOSA-N 0 3 319.449 3.178 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC000969118846 655525017 /nfs/dbraw/zinc/52/50/17/655525017.db2.gz YCANVGDXVBJDDL-KRWDZBQOSA-N 0 3 317.477 3.374 20 30 DGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ncccc1Cl ZINC000969123874 655525757 /nfs/dbraw/zinc/52/57/57/655525757.db2.gz AQLLIECHJVDFBX-CQSZACIVSA-N 0 3 321.852 3.286 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC000969127062 655526404 /nfs/dbraw/zinc/52/64/04/655526404.db2.gz RCDIYIXEYKGTRY-MRXNPFEDSA-N 0 3 316.445 3.319 20 30 DGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000969126870 655526503 /nfs/dbraw/zinc/52/65/03/655526503.db2.gz OTNWICWPBPFICW-QGZVFWFLSA-N 0 3 323.440 3.395 20 30 DGEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC000969133890 655526987 /nfs/dbraw/zinc/52/69/87/655526987.db2.gz UQGKKMZPDDIZCI-ZDUSSCGKSA-N 0 3 324.877 3.399 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001020517523 655545204 /nfs/dbraw/zinc/54/52/04/655545204.db2.gz FRXUPFALWMLQFW-SHTZXODSSA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001020540107 655546694 /nfs/dbraw/zinc/54/66/94/655546694.db2.gz QQTWYSFKCXKHQZ-WKILWMFISA-N 0 3 320.864 3.144 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000969691876 655555326 /nfs/dbraw/zinc/55/53/26/655555326.db2.gz ZAXRYKRMEKGECS-AWEZNQCLSA-N 0 3 315.461 3.005 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(OCCC)c2)C1 ZINC000969797196 655557872 /nfs/dbraw/zinc/55/78/72/655557872.db2.gz ONEGQTQQJKCBMK-OAHLLOKOSA-N 0 3 316.445 3.102 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3ccsc3)C2)CC1 ZINC000969823251 655558926 /nfs/dbraw/zinc/55/89/26/655558926.db2.gz CBXCCRJLUWBSSX-MRXNPFEDSA-N 0 3 304.459 3.185 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ccc(Cl)s3)C2)C1 ZINC000969878945 655561878 /nfs/dbraw/zinc/56/18/78/655561878.db2.gz RIJFDPXIXAGEFG-GFCCVEGCSA-N 0 3 324.877 3.448 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N[C@@H](C)c3ccccc3F)C2)C1 ZINC000969883064 655562095 /nfs/dbraw/zinc/56/20/95/655562095.db2.gz LJOIPLRISLEOAP-LSDHHAIUSA-N 0 3 316.420 3.434 20 30 DGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cc(C)ccc3F)C2)C1 ZINC000969884360 655562154 /nfs/dbraw/zinc/56/21/54/655562154.db2.gz JRXTVJQYHPDSIC-MRXNPFEDSA-N 0 3 316.420 3.181 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001020638031 655563250 /nfs/dbraw/zinc/56/32/50/655563250.db2.gz BAWNYJICFINDCN-FVQBIDKESA-N 0 3 306.837 3.088 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039064183 655565570 /nfs/dbraw/zinc/56/55/70/655565570.db2.gz FOBRYHBOWPRROH-INIZCTEOSA-N 0 3 312.457 3.254 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC000969992136 655567369 /nfs/dbraw/zinc/56/73/69/655567369.db2.gz KIUAGHAVFCKMBZ-LBPRGKRZSA-N 0 3 324.827 3.414 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001020668685 655567727 /nfs/dbraw/zinc/56/77/27/655567727.db2.gz IKCPZQPCTXDQTE-MGCOHNPYSA-N 0 3 305.230 3.004 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001020720879 655572178 /nfs/dbraw/zinc/57/21/78/655572178.db2.gz ITASSPSIHSJWBR-LUKYLMHMSA-N 0 3 318.848 3.088 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(CCCC)cc2)C1 ZINC000970100780 655574807 /nfs/dbraw/zinc/57/48/07/655574807.db2.gz MIDRTBNKENYDMY-INIZCTEOSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001020780754 655575038 /nfs/dbraw/zinc/57/50/38/655575038.db2.gz ZNIXVGGPQVIXRF-JYJNAYRXSA-N 0 3 318.848 3.096 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001021113684 655589794 /nfs/dbraw/zinc/58/97/94/655589794.db2.gz STDYCXFEAZTDBC-WKILWMFISA-N 0 3 320.864 3.488 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000970231424 655590146 /nfs/dbraw/zinc/59/01/46/655590146.db2.gz LUPSERUDSAYFAQ-CQSZACIVSA-N 0 3 311.429 3.103 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001021112629 655590242 /nfs/dbraw/zinc/59/02/42/655590242.db2.gz DXSKXHVOBFFWPU-STZBCSTISA-N 0 3 310.869 3.192 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccn2C2CCCC2)C1 ZINC000970655909 655611174 /nfs/dbraw/zinc/61/11/74/655611174.db2.gz WOVBOHQPDDIJAU-OAHLLOKOSA-N 0 3 315.461 3.229 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)C3CCCCC3)C2)C1 ZINC001041730442 655614065 /nfs/dbraw/zinc/61/40/65/655614065.db2.gz OXJBZTVREJXLTR-HXUWFJFHSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCCCC2)C1 ZINC001021541116 655626429 /nfs/dbraw/zinc/62/64/29/655626429.db2.gz JQWFDLNBVVZSHK-OALUTQOASA-N 0 3 316.489 3.293 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3ccccc32)C1 ZINC000970826517 655627267 /nfs/dbraw/zinc/62/72/67/655627267.db2.gz RNPZXSQZBJSFGJ-HNNXBMFYSA-N 0 3 308.425 3.466 20 30 DGEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2=CCCCCC2)C1 ZINC001021568532 655634149 /nfs/dbraw/zinc/63/41/49/655634149.db2.gz KCHMDYWVSYNSTA-RTBURBONSA-N 0 3 314.473 3.213 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC000970939083 655639885 /nfs/dbraw/zinc/63/98/85/655639885.db2.gz UGWFOAZDZJVWSF-OAHLLOKOSA-N 0 3 312.457 3.110 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C(C)C)s2)C1 ZINC000970944374 655641142 /nfs/dbraw/zinc/64/11/42/655641142.db2.gz GWASDKLJNZJYBB-ZDUSSCGKSA-N 0 3 306.475 3.498 20 30 DGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)(C)C)C[C@H]1C ZINC000947429710 655660060 /nfs/dbraw/zinc/66/00/60/655660060.db2.gz KTOKAMCGYOIMMV-HZPDHXFCSA-N 0 3 312.457 3.200 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001021720359 655663364 /nfs/dbraw/zinc/66/33/64/655663364.db2.gz XAOKJVZYQXWJOO-MKXGPGLRSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(CC)cc2)C1 ZINC001021724214 655664385 /nfs/dbraw/zinc/66/43/85/655664385.db2.gz KIOZODPXNKLQOL-UXHICEINSA-N 0 3 324.468 3.199 20 30 DGEDHN CCC(CC)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971115366 655665244 /nfs/dbraw/zinc/66/52/44/655665244.db2.gz WTAFPWNFWCCISS-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN CC[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000178091969 655703648 /nfs/dbraw/zinc/70/36/48/655703648.db2.gz CLZSTVWIPZRHFZ-MRXNPFEDSA-N 0 3 301.434 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001022071252 655707146 /nfs/dbraw/zinc/70/71/46/655707146.db2.gz MSCKOISGTZXPNK-XJFOESAGSA-N 0 3 324.877 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CCC2)C1 ZINC001039420794 655711091 /nfs/dbraw/zinc/71/10/91/655711091.db2.gz GTAPTAYBRNDJEM-SJORKVTESA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000971640206 655715037 /nfs/dbraw/zinc/71/50/37/655715037.db2.gz CXBOSPKMRONWNW-LJQANCHMSA-N 0 3 321.424 3.081 20 30 DGEDHN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2CCCC#N ZINC000933499287 655716613 /nfs/dbraw/zinc/71/66/13/655716613.db2.gz ULDLDUHLEYLHDX-PBHICJAKSA-N 0 3 307.438 3.059 20 30 DGEDHN Cc1noc(C[C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC000933573550 655722342 /nfs/dbraw/zinc/72/23/42/655722342.db2.gz MHVCXSFNHNGBID-MRXNPFEDSA-N 0 3 310.401 3.013 20 30 DGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(F)(F)C1 ZINC001039458511 655737997 /nfs/dbraw/zinc/73/79/97/655737997.db2.gz ZIQGADARZPUPGM-KGLIPLIRSA-N 0 3 312.404 3.063 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2scnc2C2CCCC2)C1 ZINC000971878911 655741313 /nfs/dbraw/zinc/74/13/13/655741313.db2.gz VPAKMDSDAADFKG-AWEZNQCLSA-N 0 3 319.474 3.133 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001022622300 655756721 /nfs/dbraw/zinc/75/67/21/655756721.db2.gz GCFIBFIMWDJNOX-IYBDPMFKSA-N 0 3 306.837 3.242 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000972055910 655760662 /nfs/dbraw/zinc/76/06/62/655760662.db2.gz ORJSNMQUIJCGMF-CQSZACIVSA-N 0 3 317.820 3.154 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC000972078126 655762724 /nfs/dbraw/zinc/76/27/24/655762724.db2.gz DBWKHXFGGIJIPC-MRXNPFEDSA-N 0 3 318.436 3.379 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000972227904 655781143 /nfs/dbraw/zinc/78/11/43/655781143.db2.gz OOLITLNCAMOSBN-BBRMVZONSA-N 0 3 306.837 3.162 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001022839367 655792794 /nfs/dbraw/zinc/79/27/94/655792794.db2.gz AYPJJMZPJGPIHR-HDEZJCGLSA-N 0 3 318.848 3.088 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001022868248 655794371 /nfs/dbraw/zinc/79/43/71/655794371.db2.gz ZNIXVGGPQVIXRF-OAGGEKHMSA-N 0 3 318.848 3.096 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000972396100 655795373 /nfs/dbraw/zinc/79/53/73/655795373.db2.gz HOPFFOFEMXMTIV-AWEZNQCLSA-N 0 3 312.388 3.311 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C[C@H]1C ZINC000947520376 655799293 /nfs/dbraw/zinc/79/92/93/655799293.db2.gz NYLSGXOMGAAUDB-TZMCWYRMSA-N 0 3 322.811 3.085 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000972479518 655804901 /nfs/dbraw/zinc/80/49/01/655804901.db2.gz VSQIRHUFVVFVMK-IAGOWNOFSA-N 0 3 300.446 3.207 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001023013798 655808673 /nfs/dbraw/zinc/80/86/73/655808673.db2.gz WFOZDOIVIFPHPS-IYBDPMFKSA-N 0 3 306.837 3.413 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001023053448 655811225 /nfs/dbraw/zinc/81/12/25/655811225.db2.gz DOVRNYKRTQWPBT-DTORHVGOSA-N 0 3 305.230 3.004 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001023053537 655811242 /nfs/dbraw/zinc/81/12/42/655811242.db2.gz GLZRDFZSFBLUKM-BETUJISGSA-N 0 3 304.777 3.036 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001023117864 655813669 /nfs/dbraw/zinc/81/36/69/655813669.db2.gz FIQNQGHZAJPVDF-KFWWJZLASA-N 0 3 306.837 3.088 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000972522487 655815938 /nfs/dbraw/zinc/81/59/38/655815938.db2.gz MSMXSXDDXBZORP-YESZJQIVSA-N 0 3 318.848 3.162 20 30 DGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(C#N)ccc2C)c1 ZINC000935110127 655829266 /nfs/dbraw/zinc/82/92/66/655829266.db2.gz CYSDAOFSJMOSAC-UHFFFAOYSA-N 0 3 307.397 3.489 20 30 DGEDHN C=CCN1CCC[C@H](CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001023426697 655833136 /nfs/dbraw/zinc/83/31/36/655833136.db2.gz WDKJHHOXUNEYLZ-GFCCVEGCSA-N 0 3 312.360 3.153 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C[C@@H]1C ZINC000947573026 655846987 /nfs/dbraw/zinc/84/69/87/655846987.db2.gz WZPDIUWFQXTXEM-RDJZCZTQSA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2C(C)C)C[C@H]1C ZINC000947584928 655853403 /nfs/dbraw/zinc/85/34/03/655853403.db2.gz OMXUYJKKYDWMCX-HZPDHXFCSA-N 0 3 315.461 3.282 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(C(F)F)c2)C1 ZINC001023711364 655856086 /nfs/dbraw/zinc/85/60/86/655856086.db2.gz YODNHPCDYIDPHV-CQSZACIVSA-N 0 3 320.383 3.089 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000972650452 655858825 /nfs/dbraw/zinc/85/88/25/655858825.db2.gz ISEFULXODAGCCP-HNNXBMFYSA-N 0 3 300.427 3.234 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)c(CC)s2)C1 ZINC001023738563 655860377 /nfs/dbraw/zinc/86/03/77/655860377.db2.gz CPJVXGXJCMWSHD-HNNXBMFYSA-N 0 3 318.486 3.084 20 30 DGEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001023764671 655863072 /nfs/dbraw/zinc/86/30/72/655863072.db2.gz OGKMQKPDAJXCDK-MRXNPFEDSA-N 0 3 324.424 3.206 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001023772002 655864142 /nfs/dbraw/zinc/86/41/42/655864142.db2.gz XKQZCYDPLVMDMF-DZIBYMRMSA-N 0 3 316.489 3.054 20 30 DGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC000972734384 655875360 /nfs/dbraw/zinc/87/53/60/655875360.db2.gz XWUFTJUEUKOCGE-PKOBYXMFSA-N 0 3 314.473 3.282 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000972770036 655879570 /nfs/dbraw/zinc/87/95/70/655879570.db2.gz MVCBGKQURAZEBV-ROUUACIJSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000972786175 655882204 /nfs/dbraw/zinc/88/22/04/655882204.db2.gz LZKOVFJDUQFWKL-LBPRGKRZSA-N 0 3 312.335 3.038 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C[C@H]1C ZINC000947602620 655885863 /nfs/dbraw/zinc/88/58/63/655885863.db2.gz MLLXGAGMQOXQJB-NVXWUHKLSA-N 0 3 316.420 3.049 20 30 DGEDHN CCCCOC(=O)C/N=C\c1ccc(N(CC)CC)cc1O ZINC000255777324 655902177 /nfs/dbraw/zinc/90/21/77/655902177.db2.gz XWWKIADQIMRNGN-PDGQHHTCSA-N 0 3 306.406 3.001 20 30 DGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001024453305 655906513 /nfs/dbraw/zinc/90/65/13/655906513.db2.gz HOPBVBKFUAIBNA-MSOLQXFVSA-N 0 3 302.462 3.117 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001024582413 655920354 /nfs/dbraw/zinc/92/03/54/655920354.db2.gz VROZGYRJBWZKKQ-CQSZACIVSA-N 0 3 317.458 3.390 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001024620950 655925005 /nfs/dbraw/zinc/92/50/05/655925005.db2.gz GMVSLVGDLPGPSB-AEFFLSMTSA-N 0 3 316.420 3.012 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001024630604 655925999 /nfs/dbraw/zinc/92/59/99/655925999.db2.gz SURBVPBNAHJQAV-CYBMUJFWSA-N 0 3 322.811 3.087 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001024634134 655926369 /nfs/dbraw/zinc/92/63/69/655926369.db2.gz RDZGPBMGOADMOF-MRXNPFEDSA-N 0 3 318.848 3.256 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001024676777 655929375 /nfs/dbraw/zinc/92/93/75/655929375.db2.gz YJVGXJYHQFURQK-OAHLLOKOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001024691652 655931018 /nfs/dbraw/zinc/93/10/18/655931018.db2.gz YNRVCDVXJHMVQJ-AWEZNQCLSA-N 0 3 322.474 3.226 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001024707353 655932363 /nfs/dbraw/zinc/93/23/63/655932363.db2.gz LSZQKUXRBVJCKU-HSALFYBXSA-N 0 3 324.468 3.093 20 30 DGEDHN C=CCN1CCCC[C@H]1CNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001024754493 655935818 /nfs/dbraw/zinc/93/58/18/655935818.db2.gz UOWGRZNXCJYBCK-KRWDZBQOSA-N 0 3 323.440 3.452 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001024768510 655937095 /nfs/dbraw/zinc/93/70/95/655937095.db2.gz SCMQSIWVUGPBCD-INIZCTEOSA-N 0 3 304.409 3.295 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024773386 655937329 /nfs/dbraw/zinc/93/73/29/655937329.db2.gz DZCSOHKBAPRKFF-SFHVURJKSA-N 0 3 300.446 3.464 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001024785681 655938655 /nfs/dbraw/zinc/93/86/55/655938655.db2.gz NQCGJWCGWOLMQW-KRWDZBQOSA-N 0 3 316.445 3.246 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001024790456 655939304 /nfs/dbraw/zinc/93/93/04/655939304.db2.gz JHOOTSAGCFMUMR-GOSISDBHSA-N 0 3 312.457 3.219 20 30 DGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001024790303 655939442 /nfs/dbraw/zinc/93/94/42/655939442.db2.gz FEPCBXLBXXFTMG-OAHLLOKOSA-N 0 3 318.486 3.397 20 30 DGEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001024806151 655940940 /nfs/dbraw/zinc/94/09/40/655940940.db2.gz GIGSEQHNOZUZMB-HNNXBMFYSA-N 0 3 321.490 3.310 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024819959 655941779 /nfs/dbraw/zinc/94/17/79/655941779.db2.gz VAQOUXNWKXSISH-QGZVFWFLSA-N 0 3 304.478 3.197 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001024817485 655942545 /nfs/dbraw/zinc/94/25/45/655942545.db2.gz BSRIIMDZWTXOEZ-OPQOLIRYSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001024817483 655942834 /nfs/dbraw/zinc/94/28/34/655942834.db2.gz BSRIIMDZWTXOEZ-FOIPXRHGSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C/Cl)C2)CC1 ZINC001036810590 661206813 /nfs/dbraw/zinc/20/68/13/661206813.db2.gz FIVZLDZIVONIDW-WUFIALGSSA-N 0 3 322.880 3.408 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cncs1 ZINC001025039842 655958315 /nfs/dbraw/zinc/95/83/15/655958315.db2.gz ZKRGYTHAXCZSJS-CQSZACIVSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cncc(C)c1 ZINC001025040899 655958518 /nfs/dbraw/zinc/95/85/18/655958518.db2.gz OQMMFCPZTRRJCH-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001025070090 655963562 /nfs/dbraw/zinc/96/35/62/655963562.db2.gz UKSSUJCSHPRZBP-IEBWSBKVSA-N 0 3 315.461 3.155 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cncs1 ZINC001025069760 655963683 /nfs/dbraw/zinc/96/36/83/655963683.db2.gz OFOKEMDQMCIZMC-PBHICJAKSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1F ZINC001025191631 655975220 /nfs/dbraw/zinc/97/52/20/655975220.db2.gz LXQKGDOOYWGNAI-MSOLQXFVSA-N 0 3 316.420 3.471 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC001025199730 655976274 /nfs/dbraw/zinc/97/62/74/655976274.db2.gz YUKRDSDFOFHFDF-IRXDYDNUSA-N 0 3 316.470 3.231 20 30 DGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001025198367 655977827 /nfs/dbraw/zinc/97/78/27/655977827.db2.gz OSDYOBFWXBOQPS-HOTGVXAUSA-N 0 3 302.418 3.233 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001025246624 655984251 /nfs/dbraw/zinc/98/42/51/655984251.db2.gz XRJUHJRDADKVJQ-IAGOWNOFSA-N 0 3 320.452 3.138 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C(=C)C ZINC001025258971 655984929 /nfs/dbraw/zinc/98/49/29/655984929.db2.gz MBAGHRUCCBZDFU-SJORKVTESA-N 0 3 302.462 3.067 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C1CCC1 ZINC001025254433 655985448 /nfs/dbraw/zinc/98/54/48/655985448.db2.gz JEPUQJPFJOXMPK-ZWKOTPCHSA-N 0 3 316.489 3.291 20 30 DGEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025253190 655985521 /nfs/dbraw/zinc/98/55/21/655985521.db2.gz UMNMZMPWVWLIAA-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCC(=C)CC1 ZINC001025263305 655986336 /nfs/dbraw/zinc/98/63/36/655986336.db2.gz KOQXKUVSSGSLJM-RBUKOAKNSA-N 0 3 314.473 3.212 20 30 DGEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266026 655986452 /nfs/dbraw/zinc/98/64/52/655986452.db2.gz IHVWJDSRRVELAJ-SJORKVTESA-N 0 3 302.462 3.045 20 30 DGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(CC)CC ZINC001025300622 655990396 /nfs/dbraw/zinc/99/03/96/655990396.db2.gz DLUZDVWWHRKQAO-IRXDYDNUSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001025300046 655990436 /nfs/dbraw/zinc/99/04/36/655990436.db2.gz AQHDDCIMGWTVJS-RTBURBONSA-N 0 3 314.473 3.212 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388766 656004237 /nfs/dbraw/zinc/00/42/37/656004237.db2.gz MAYFQTMCCKLVQH-AEFFLSMTSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001025429279 656010885 /nfs/dbraw/zinc/01/08/85/656010885.db2.gz BBMGCGPZNBSWRZ-OXJNMPFZSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2coc3c2cccc3C)C1 ZINC001025438137 656012496 /nfs/dbraw/zinc/01/24/96/656012496.db2.gz CXAMEQCZAVEEAT-HOTGVXAUSA-N 0 3 324.424 3.205 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC001025518730 656027525 /nfs/dbraw/zinc/02/75/25/656027525.db2.gz HNQSNRODDDDEFL-APWZRJJASA-N 0 3 312.457 3.103 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001025523049 656027994 /nfs/dbraw/zinc/02/79/94/656027994.db2.gz LUNXSBCONZJMLE-ZBFHGGJFSA-N 0 3 318.848 3.112 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC001025524181 656028516 /nfs/dbraw/zinc/02/85/16/656028516.db2.gz SYCAINRNUQJYOH-LSDHHAIUSA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC001025521380 656029159 /nfs/dbraw/zinc/02/91/59/656029159.db2.gz ZTSXKINEYJCADG-OLZOCXBDSA-N 0 3 324.371 3.071 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)cc2Cl)C1 ZINC001025540226 656032731 /nfs/dbraw/zinc/03/27/31/656032731.db2.gz UAGOTETZHYOKOV-CABCVRRESA-N 0 3 318.848 3.112 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccsc2Cl)C1 ZINC001025551609 656034188 /nfs/dbraw/zinc/03/41/88/656034188.db2.gz JKMSNORLOISCLX-STQMWFEESA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccsc2Cl)C1 ZINC001025551602 656034219 /nfs/dbraw/zinc/03/42/19/656034219.db2.gz JKMSNORLOISCLX-CHWSQXEVSA-N 0 3 324.877 3.255 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC001025595022 656042308 /nfs/dbraw/zinc/04/23/08/656042308.db2.gz LIOXRUSHXVXMPB-CVEARBPZSA-N 0 3 316.445 3.004 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001025601149 656042846 /nfs/dbraw/zinc/04/28/46/656042846.db2.gz AFXQEJYNYQDDFC-CADBVGFASA-N 0 3 318.505 3.443 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC001025603082 656044120 /nfs/dbraw/zinc/04/41/20/656044120.db2.gz QGZKDCGDDNILOV-ZBFHGGJFSA-N 0 3 318.848 3.194 20 30 DGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C(F)F)o2)C1 ZINC001025606497 656045333 /nfs/dbraw/zinc/04/53/33/656045333.db2.gz OJLXNOAHQOVHRG-STQMWFEESA-N 0 3 324.371 3.071 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC001025611595 656046219 /nfs/dbraw/zinc/04/62/19/656046219.db2.gz MRZCZJHHNZNDIW-MJGOQNOKSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC001025609767 656046734 /nfs/dbraw/zinc/04/67/34/656046734.db2.gz HYGGQFBDCSACKZ-DOTOQJQBSA-N 0 3 324.424 3.286 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC001025611186 656047253 /nfs/dbraw/zinc/04/72/53/656047253.db2.gz JXFUUSSZLDYKOQ-QZTJIDSGSA-N 0 3 312.457 3.157 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC001025614224 656048366 /nfs/dbraw/zinc/04/83/66/656048366.db2.gz IMYMIDBCWDNDHX-APWZRJJASA-N 0 3 312.457 3.103 20 30 DGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(Cl)s2)C1 ZINC001025614305 656048401 /nfs/dbraw/zinc/04/84/01/656048401.db2.gz JOEBYOVZMHZHQM-OLZOCXBDSA-N 0 3 324.877 3.255 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC001025633614 656052805 /nfs/dbraw/zinc/05/28/05/656052805.db2.gz WYQCRHWYRPUKTR-WBVHZDCISA-N 0 3 304.478 3.053 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001038348806 656078822 /nfs/dbraw/zinc/07/88/22/656078822.db2.gz LIZZAFUWHGOVAB-OIAUPDTQSA-N 0 3 316.489 3.215 20 30 DGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000974627627 656218110 /nfs/dbraw/zinc/21/81/10/656218110.db2.gz FXNGMRHRTWSNBB-GFCCVEGCSA-N 0 3 312.866 3.418 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)c2cccc3c2CCCC3)C(C)(C)C1 ZINC000974625998 656218371 /nfs/dbraw/zinc/21/83/71/656218371.db2.gz XXOFJUPOVBCZCY-IBGZPJMESA-N 0 3 324.468 3.029 20 30 DGEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001026994226 656236541 /nfs/dbraw/zinc/23/65/41/656236541.db2.gz PXGVBYLNIGOAPN-CYBMUJFWSA-N 0 3 322.399 3.115 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C(C)(C)C1 ZINC000974859696 656236827 /nfs/dbraw/zinc/23/68/27/656236827.db2.gz BXDKWVFVWZRYJC-LJQANCHMSA-N 0 3 324.468 3.336 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C(C)(C)C1 ZINC000974893055 656239137 /nfs/dbraw/zinc/23/91/37/656239137.db2.gz IZWQMRHTWIXALA-KBPBESRZSA-N 0 3 314.420 3.215 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)c2cccs2)C(C)(C)C1 ZINC000974916179 656240833 /nfs/dbraw/zinc/24/08/33/656240833.db2.gz XIWHQPMPYGZBAY-AWEZNQCLSA-N 0 3 320.502 3.428 20 30 DGEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C(C)(C)C1 ZINC000974984329 656248205 /nfs/dbraw/zinc/24/82/05/656248205.db2.gz CJSYCWZHLUQNSK-GOSISDBHSA-N 0 3 314.473 3.167 20 30 DGEDHN C[C@H]1OCC[C@@]12CN(CCCCC1(C#N)CCC1)C[C@@H](C)O2 ZINC000930269909 661242510 /nfs/dbraw/zinc/24/25/10/661242510.db2.gz WDLQAWXFOLEYLB-JFIYKMOQSA-N 0 3 306.450 3.119 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C(C)(C)C1 ZINC000975063282 656252853 /nfs/dbraw/zinc/25/28/53/656252853.db2.gz HRCINMNDQORUIM-XDNAFOTISA-N 0 3 316.489 3.053 20 30 DGEDHN CC(C)CC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027277125 656278141 /nfs/dbraw/zinc/27/81/41/656278141.db2.gz WHILLZPAXADBKG-GOSISDBHSA-N 0 3 313.445 3.027 20 30 DGEDHN CC[C@H](C)C(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027305665 656284283 /nfs/dbraw/zinc/28/42/83/656284283.db2.gz QCHFWBIRPMANFU-YJBOKZPZSA-N 0 3 313.445 3.027 20 30 DGEDHN CC[C@H](C)C(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027305663 656284298 /nfs/dbraw/zinc/28/42/98/656284298.db2.gz QCHFWBIRPMANFU-MAUKXSAKSA-N 0 3 313.445 3.027 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC001027486528 656316290 /nfs/dbraw/zinc/31/62/90/656316290.db2.gz FZOFKVUWXHBCCF-QGZVFWFLSA-N 0 3 324.399 3.149 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C(C)(C)C1 ZINC000977345710 656323016 /nfs/dbraw/zinc/32/30/16/656323016.db2.gz FKHZAMXZITUEKT-WMLDXEAASA-N 0 3 318.461 3.403 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001027521632 656328959 /nfs/dbraw/zinc/32/89/59/656328959.db2.gz HXLLYEKUWLYSJX-QGZVFWFLSA-N 0 3 318.436 3.461 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977459057 656332144 /nfs/dbraw/zinc/33/21/44/656332144.db2.gz DLNNUNQKNFBQAC-DLBZAZTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)cc2C)C(C)(C)C1 ZINC000977492615 656334856 /nfs/dbraw/zinc/33/48/56/656334856.db2.gz HAQMRHOXCYDIER-INIZCTEOSA-N 0 3 304.409 3.150 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(C(F)F)o2)C(C)(C)C1 ZINC000977534417 656340160 /nfs/dbraw/zinc/34/01/60/656340160.db2.gz 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ZINC001006345715 661257578 /nfs/dbraw/zinc/25/75/78/661257578.db2.gz LFSNPQLKNNQFOL-UHFFFAOYSA-N 0 3 314.401 3.408 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001027659753 656387957 /nfs/dbraw/zinc/38/79/57/656387957.db2.gz UHQRRYZURWEBRP-RTBURBONSA-N 0 3 324.468 3.053 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001027707276 656402737 /nfs/dbraw/zinc/40/27/37/656402737.db2.gz DDEMUKBUHKKFTQ-HXUWFJFHSA-N 0 3 322.452 3.424 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C)o3)C[C@@H]2C1 ZINC000979489358 656431872 /nfs/dbraw/zinc/43/18/72/656431872.db2.gz LEEGFMCBFXOIMH-RRFJBIMHSA-N 0 3 322.836 3.171 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc3occc3c2)CC1 ZINC001052403356 656433710 /nfs/dbraw/zinc/43/37/10/656433710.db2.gz CDGVGISHNJAGNL-QGZVFWFLSA-N 0 3 310.397 3.040 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001052408796 656434023 /nfs/dbraw/zinc/43/40/23/656434023.db2.gz KORXQDHBSBVQBY-ZWKOTPCHSA-N 0 3 302.462 3.117 20 30 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C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001049623934 656651781 /nfs/dbraw/zinc/65/17/81/656651781.db2.gz CHPWJNPBEOJJKJ-MOPGFXCFSA-N 0 3 323.440 3.341 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2ccsc2[nH]1 ZINC001049628001 656651837 /nfs/dbraw/zinc/65/18/37/656651837.db2.gz DFFFJHYWJRFAJR-GJZGRUSLSA-N 0 3 315.442 3.094 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001028058296 656656483 /nfs/dbraw/zinc/65/64/83/656656483.db2.gz BTDYFHBQKMMPLB-OAHLLOKOSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1cc2ncccc2s1 ZINC001028067812 656660482 /nfs/dbraw/zinc/66/04/82/656660482.db2.gz CPZGNIFNOMWHIV-CYBMUJFWSA-N 0 3 315.442 3.067 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001028065987 656660545 /nfs/dbraw/zinc/66/05/45/656660545.db2.gz OYKJOWAZKJDOHP-AWEZNQCLSA-N 0 3 317.820 3.202 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049670351 656661355 /nfs/dbraw/zinc/66/13/55/656661355.db2.gz 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656678489 /nfs/dbraw/zinc/67/84/89/656678489.db2.gz RCRCFWFSVFRIOK-QZTJIDSGSA-N 0 3 316.420 3.389 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)C2)C1 ZINC001041838418 656683500 /nfs/dbraw/zinc/68/35/00/656683500.db2.gz CFNHCQCYPYVZLK-WOJBJXKFSA-N 0 3 314.473 3.071 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccc(Cl)s1 ZINC001049767014 656683543 /nfs/dbraw/zinc/68/35/43/656683543.db2.gz ARDIZOVGRSPISQ-UONOGXRCSA-N 0 3 324.877 3.195 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3ccc(C4CC4)cc3)C2)C1 ZINC001041840221 656683934 /nfs/dbraw/zinc/68/39/34/656683934.db2.gz WDFJKVXEDKGZID-NRFANRHFSA-N 0 3 322.452 3.125 20 30 DGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)no1 ZINC001049767119 656684117 /nfs/dbraw/zinc/68/41/17/656684117.db2.gz NRLLRNBYHUFEOE-JKSUJKDBSA-N 0 3 317.433 3.053 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC(C)(C)C3)C2)C1 ZINC001041850755 656686434 /nfs/dbraw/zinc/68/64/34/656686434.db2.gz NILXIJCAOCENCR-PXNSSMCTSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(C)CCC(C)CC3)C2)C1 ZINC001041850700 656686678 /nfs/dbraw/zinc/68/66/78/656686678.db2.gz MCJIQDYDQXIEMG-LYBXBRPPSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@]2(CCN(C(=O)CC3CCC(C)(C)CC3)C2)C1 ZINC001041864629 656689770 /nfs/dbraw/zinc/68/97/70/656689770.db2.gz AXVOQOJBVIMDRC-FQEVSTJZSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CCCN(C(=O)c2cccc3c2CCCCC3)CC1 ZINC000981402339 656690760 /nfs/dbraw/zinc/69/07/60/656690760.db2.gz GPKSCNJKWADPFJ-UHFFFAOYSA-N 0 3 324.468 3.127 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2ccn(C)c2c1 ZINC001049824686 656693270 /nfs/dbraw/zinc/69/32/70/656693270.db2.gz JTEUSCMUOCPUCV-QZTJIDSGSA-N 0 3 323.440 3.043 20 30 DGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049837070 656695776 /nfs/dbraw/zinc/69/57/76/656695776.db2.gz ZHUVDCYPSCHFJP-GJZGRUSLSA-N 0 3 317.433 3.053 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccc(C)s1 ZINC001049838426 656695823 /nfs/dbraw/zinc/69/58/23/656695823.db2.gz CXQBDWNVLKMUNU-ARFHVFGLSA-N 0 3 318.486 3.411 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(Cl)c1 ZINC001049857592 656701203 /nfs/dbraw/zinc/70/12/03/656701203.db2.gz LNXXIBGQYUOUKQ-HOTGVXAUSA-N 0 3 304.821 3.205 20 30 DGEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CCCCC1 ZINC001049871247 656706923 /nfs/dbraw/zinc/70/69/23/656706923.db2.gz KXWXCKKZZPCYJI-MSOLQXFVSA-N 0 3 302.462 3.045 20 30 DGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049877097 656709759 /nfs/dbraw/zinc/70/97/59/656709759.db2.gz SWSNFQKBXOXGTC-OALUTQOASA-N 0 3 310.441 3.006 20 30 DGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049877095 656709936 /nfs/dbraw/zinc/70/99/36/656709936.db2.gz SWSNFQKBXOXGTC-MOPGFXCFSA-N 0 3 310.441 3.006 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccccc1Cl ZINC001049880547 656712430 /nfs/dbraw/zinc/71/24/30/656712430.db2.gz GHEUEBNYSUJRFQ-IAGOWNOFSA-N 0 3 318.848 3.134 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC(CC1)CC2 ZINC001049908428 656719335 /nfs/dbraw/zinc/71/93/35/656719335.db2.gz MNMUONNBKVWLMO-DHADLLTHSA-N 0 3 302.462 3.208 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCC1(C)C ZINC001049914455 656720818 /nfs/dbraw/zinc/72/08/18/656720818.db2.gz DEZSIUDSSGZDFJ-YESZJQIVSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCC1(C)C ZINC001049914453 656721162 /nfs/dbraw/zinc/72/11/62/656721162.db2.gz DEZSIUDSSGZDFJ-GVDBMIGSSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cscc3Cl)C[C@@H]21 ZINC001042105627 656722439 /nfs/dbraw/zinc/72/24/39/656722439.db2.gz VXSUJPQSSSQJIE-FZMZJTMJSA-N 0 3 310.850 3.124 20 30 DGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1C(C)C ZINC001049918793 656722981 /nfs/dbraw/zinc/72/29/81/656722981.db2.gz TWTKFUQHGBUTCN-JKSUJKDBSA-N 0 3 302.418 3.268 20 30 DGEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccc(CC)s3)C[C@@H]21 ZINC001042137502 656725142 /nfs/dbraw/zinc/72/51/42/656725142.db2.gz HDCBKRMPFIOJMJ-HOCLYGCPSA-N 0 3 318.486 3.423 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)sc3C)C[C@H]21 ZINC001042139805 656725178 /nfs/dbraw/zinc/72/51/78/656725178.db2.gz ZNEXAUAXIRQYOJ-GOEBONIOSA-N 0 3 304.459 3.087 20 30 DGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(c2ccccc2C)CC1 ZINC001049927807 656725849 /nfs/dbraw/zinc/72/58/49/656725849.db2.gz NVFOBBDKKAKAAK-OALUTQOASA-N 0 3 324.468 3.278 20 30 DGEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3CCCCCCC3)C[C@H]21 ZINC001042149161 656727187 /nfs/dbraw/zinc/72/71/87/656727187.db2.gz PAGZFSUPIVMNSI-IEBWSBKVSA-N 0 3 316.489 3.293 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000981596629 656732782 /nfs/dbraw/zinc/73/27/82/656732782.db2.gz APRRTLTYJXFELG-UXHICEINSA-N 0 3 324.468 3.128 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114946 656750590 /nfs/dbraw/zinc/75/05/90/656750590.db2.gz STUMJMKHHRXLPD-QGZVFWFLSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(CC)c(CC)o3)C[C@@H]21 ZINC001042313021 656750680 /nfs/dbraw/zinc/75/06/80/656750680.db2.gz HDIAURQFPGATSS-CVEARBPZSA-N 0 3 316.445 3.127 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@H]21 ZINC001042317865 656751237 /nfs/dbraw/zinc/75/12/37/656751237.db2.gz COERHPOGWAHAKI-XLAORIBOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C(F)F)c3)C[C@@H]21 ZINC001042316826 656751344 /nfs/dbraw/zinc/75/13/44/656751344.db2.gz UCLBHNHSWFROGF-BBRMVZONSA-N 0 3 320.383 3.347 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C[C@H]21 ZINC001042339944 656758688 /nfs/dbraw/zinc/75/86/88/656758688.db2.gz CDYRYFWHNARZTB-YLJYHZDGSA-N 0 3 324.468 3.288 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C[C@@H]21 ZINC001042339942 656759021 /nfs/dbraw/zinc/75/90/21/656759021.db2.gz CDYRYFWHNARZTB-PXNSSMCTSA-N 0 3 324.468 3.288 20 30 DGEDHN C=CC(C)(C)C(=O)N1CCCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000981754821 656759641 /nfs/dbraw/zinc/75/96/41/656759641.db2.gz SDVCMGYBOFZTEL-CQSZACIVSA-N 0 3 314.420 3.168 20 30 DGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@@H]21 ZINC001042366998 656765245 /nfs/dbraw/zinc/76/52/45/656765245.db2.gz YYQRDQKYVRXPPY-SJORKVTESA-N 0 3 304.478 3.456 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4cc(C)ccc4o3)C[C@H]21 ZINC001042367255 656765367 /nfs/dbraw/zinc/76/53/67/656765367.db2.gz DLPXLKWAZVOWDR-DOTOQJQBSA-N 0 3 324.424 3.464 20 30 DGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4c(cccc4C)o3)C[C@H]21 ZINC001042376960 656768735 /nfs/dbraw/zinc/76/87/35/656768735.db2.gz YMLGUGMDWKDOME-DOTOQJQBSA-N 0 3 324.424 3.464 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@@H]21 ZINC001042376710 656768889 /nfs/dbraw/zinc/76/88/89/656768889.db2.gz UTDXQAZZZFXBFK-WMZOPIPTSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@H]21 ZINC001042376708 656768930 /nfs/dbraw/zinc/76/89/30/656768930.db2.gz UTDXQAZZZFXBFK-FUHWJXTLSA-N 0 3 316.489 3.149 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC001052794611 656769690 /nfs/dbraw/zinc/76/96/90/656769690.db2.gz SYJGIIGBECCHMQ-INIZCTEOSA-N 0 3 320.383 3.232 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC001052872025 656779556 /nfs/dbraw/zinc/77/95/56/656779556.db2.gz UONRJPQAQAJBFP-QGZVFWFLSA-N 0 3 324.424 3.267 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC001052885648 656782366 /nfs/dbraw/zinc/78/23/66/656782366.db2.gz XNCIYJCTRBVQAV-OALUTQOASA-N 0 3 324.468 3.101 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(F)cccc2Cl)CC1 ZINC001052889960 656783987 /nfs/dbraw/zinc/78/39/87/656783987.db2.gz VPEZARUZGMMIAR-CYBMUJFWSA-N 0 3 322.811 3.087 20 30 DGEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc3ccccc32)CC1 ZINC001052907389 656788102 /nfs/dbraw/zinc/78/81/02/656788102.db2.gz PNJPKRKNJWMIAZ-SFHVURJKSA-N 0 3 320.436 3.447 20 30 DGEDHN C=CCCN1CCCN(C(=O)c2ccc(Cl)cc2C)CC1 ZINC000981869091 656791146 /nfs/dbraw/zinc/79/11/46/656791146.db2.gz NJUGAEAYDMLYEI-UHFFFAOYSA-N 0 3 306.837 3.372 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC001052926184 656792946 /nfs/dbraw/zinc/79/29/46/656792946.db2.gz ZXWPLJLYHSRLEG-QGZVFWFLSA-N 0 3 323.440 3.002 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)C2)C1 ZINC000981881115 656793635 /nfs/dbraw/zinc/79/36/35/656793635.db2.gz QZTIDGKVPFCTGX-DLBZAZTESA-N 0 3 316.489 3.335 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3(c4ccccc4)CCC3)C2)C1 ZINC000981878292 656795317 /nfs/dbraw/zinc/79/53/17/656795317.db2.gz OUDBHJPZLCTOOI-UHFFFAOYSA-N 0 3 324.468 3.219 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2sccc2C(C)C)CC1 ZINC001052952221 656795449 /nfs/dbraw/zinc/79/54/49/656795449.db2.gz CABCPTJTQYLPAT-CQSZACIVSA-N 0 3 304.459 3.089 20 30 DGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001052951455 656795669 /nfs/dbraw/zinc/79/56/69/656795669.db2.gz JRRZDAVAUDBHQW-MJGOQNOKSA-N 0 3 302.462 3.117 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)c2sccc2C(C)C)CC1 ZINC001052952217 656796245 /nfs/dbraw/zinc/79/62/45/656796245.db2.gz CABCPTJTQYLPAT-AWEZNQCLSA-N 0 3 304.459 3.089 20 30 DGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC001052957485 656797273 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C=C(C)CN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001028186625 656846593 /nfs/dbraw/zinc/84/65/93/656846593.db2.gz PPOYZJYJJJAQGN-KOHRHEQBSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C2C=CC=CC=C2)C1 ZINC001053086265 656849896 /nfs/dbraw/zinc/84/98/96/656849896.db2.gz LZNOITONCVIIRQ-WOJBJXKFSA-N 0 3 324.468 3.011 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)C1 ZINC001053105516 656853819 /nfs/dbraw/zinc/85/38/19/656853819.db2.gz OZATYEDGMAGJRJ-PMACEKPBSA-N 0 3 324.468 3.335 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001028193511 656854389 /nfs/dbraw/zinc/85/43/89/656854389.db2.gz UUXPATZOKBNVES-BZUAXINKSA-N 0 3 318.486 3.317 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001028201606 656862804 /nfs/dbraw/zinc/86/28/04/656862804.db2.gz ITVPCJIQMOMFNL-CYBMUJFWSA-N 0 3 321.490 3.211 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3occc3C(C)C)C[C@]2(C)C1 ZINC000982473332 656863709 /nfs/dbraw/zinc/86/37/09/656863709.db2.gz VGJGWVHVZJLTKQ-KDURUIRLSA-N 0 3 316.445 3.373 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(C)cc3Cl)C2)C1 ZINC000982031139 656868564 /nfs/dbraw/zinc/86/85/64/656868564.db2.gz WZMXAMMQXLSICE-UHFFFAOYSA-N 0 3 318.848 3.372 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001054036270 656887486 /nfs/dbraw/zinc/88/74/86/656887486.db2.gz GPSUPRUFXWRAEK-ZRNYENFQSA-N 0 3 324.468 3.152 20 30 DGEDHN C#CCCN1CCCN(C(=O)[C@H](C)CC2CCCCC2)CC1 ZINC000982070784 656887362 /nfs/dbraw/zinc/88/73/62/656887362.db2.gz WGVUMJCSKYTYGY-QGZVFWFLSA-N 0 3 304.478 3.151 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]ccc1C ZINC001054040059 656889476 /nfs/dbraw/zinc/88/94/76/656889476.db2.gz ANHROHGQCZYPFO-SFHVURJKSA-N 0 3 323.440 3.056 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[C@@H]3CC)C2)C1 ZINC000982098306 656892357 /nfs/dbraw/zinc/89/23/57/656892357.db2.gz QVXQCUMVGNNBOP-IRXDYDNUSA-N 0 3 304.478 3.313 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001054053826 656894153 /nfs/dbraw/zinc/89/41/53/656894153.db2.gz BKQSMQPMMDVNMD-AYOQOUSVSA-N 0 3 312.457 3.152 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC000982160144 656908552 /nfs/dbraw/zinc/90/85/52/656908552.db2.gz RYIBBOQUMWNFMB-QGZVFWFLSA-N 0 3 312.457 3.209 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC1=CCCCC1)C2 ZINC001054100261 656910177 /nfs/dbraw/zinc/91/01/77/656910177.db2.gz CDIFXZYBHCHKKI-FQEVSTJZSA-N 0 3 314.473 3.215 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C3CC(C(C)(C)C)C3)C2)C1 ZINC000982168911 656910350 /nfs/dbraw/zinc/91/03/50/656910350.db2.gz HEYRCBZVAZDSHB-UHFFFAOYSA-N 0 3 304.478 3.169 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C2 ZINC001054138192 656918265 /nfs/dbraw/zinc/91/82/65/656918265.db2.gz MQQIPMMZURCBSL-UYAOXDASSA-N 0 3 314.473 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C1CCCC1)C2 ZINC001054146588 656919982 /nfs/dbraw/zinc/91/99/82/656919982.db2.gz NASWXFCHNHMDSM-HXUWFJFHSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CCCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000982226914 656920689 /nfs/dbraw/zinc/92/06/89/656920689.db2.gz DJMPYCXSIHFWSA-MSOLQXFVSA-N 0 3 318.505 3.397 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(C)(C)C)C2 ZINC001054152268 656921093 /nfs/dbraw/zinc/92/10/93/656921093.db2.gz AXIGFUAHOREGDD-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1CCC)C2 ZINC001054163110 656922433 /nfs/dbraw/zinc/92/24/33/656922433.db2.gz YSAKQWVIRCIENE-OAQYLSRUSA-N 0 3 324.468 3.200 20 30 DGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC1(C)C)C2 ZINC001054181108 656928152 /nfs/dbraw/zinc/92/81/52/656928152.db2.gz GGDIQNXNDLSHEB-XLIONFOSSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(CC)(CC)CC)C2 ZINC001054220835 656941071 /nfs/dbraw/zinc/94/10/71/656941071.db2.gz KIWJOICUFINXDO-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028249431 656942736 /nfs/dbraw/zinc/94/27/36/656942736.db2.gz SZTSDRKAWWBKSR-GOSISDBHSA-N 0 3 309.413 3.005 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC1CCCCC1)C2 ZINC001054234576 656944041 /nfs/dbraw/zinc/94/40/41/656944041.db2.gz GHRPIEAWRBJDDK-HXUWFJFHSA-N 0 3 316.489 3.295 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@]3(C)CCC[C@@H]3CC)C[C@]2(C)C1 ZINC000982308003 656945450 /nfs/dbraw/zinc/94/54/50/656945450.db2.gz JYDWOMFCKJEKPT-IJXRJRJASA-N 0 3 316.489 3.006 20 30 DGEDHN C=CCN1C[C@]2(C)CN(C(=O)c3c(C)oc(C)c3C)C[C@]2(C)C1 ZINC000982353270 656956978 /nfs/dbraw/zinc/95/69/78/656956978.db2.gz RKYDLOVRBNFQOC-KDURUIRLSA-N 0 3 316.445 3.175 20 30 DGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H]3CC34CC4)cc2C1 ZINC001054284370 656961193 /nfs/dbraw/zinc/96/11/93/656961193.db2.gz PMAVPAWBYPZHGH-SFHVURJKSA-N 0 3 310.441 3.385 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001028291970 656975864 /nfs/dbraw/zinc/97/58/64/656975864.db2.gz KNGOHBHTZYNQRB-ABHNRTSZSA-N 0 3 304.478 3.360 20 30 DGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001028328914 656995017 /nfs/dbraw/zinc/99/50/17/656995017.db2.gz BOVYYFPTAIAPGC-CQSZACIVSA-N 0 3 318.486 3.263 20 30 DGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028339342 656997734 /nfs/dbraw/zinc/99/77/34/656997734.db2.gz SCXGGTVEANCKEN-INIZCTEOSA-N 0 3 312.457 3.254 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2oc(C(F)F)cc2C)CC1 ZINC001045467939 657027035 /nfs/dbraw/zinc/02/70/35/657027035.db2.gz UMVMVINWZRJTKC-UHFFFAOYSA-N 0 3 312.360 3.296 20 30 DGEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001054976893 657027746 /nfs/dbraw/zinc/02/77/46/657027746.db2.gz QNMJCDKSAFNCBE-MLGOLLRUSA-N 0 3 322.399 3.114 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(Cl)ccc2C)CC1 ZINC001045590865 657040972 /nfs/dbraw/zinc/04/09/72/657040972.db2.gz YISIUQDVTMMBNU-UHFFFAOYSA-N 0 3 306.837 3.419 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2ccc3ccccc3n2)CC1 ZINC001045629256 657046380 /nfs/dbraw/zinc/04/63/80/657046380.db2.gz UNWLRUSIZQTMFI-UHFFFAOYSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC001045642341 657047708 /nfs/dbraw/zinc/04/77/08/657047708.db2.gz ZQOVHNCORDNJRX-UHFFFAOYSA-N 0 3 304.409 3.213 20 30 DGEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1C=CCC1)C2 ZINC001045913099 657088639 /nfs/dbraw/zinc/08/86/39/657088639.db2.gz QTSNIZBTPNKMCI-AZUAARDMSA-N 0 3 314.473 3.071 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001000092215 657093773 /nfs/dbraw/zinc/09/37/73/657093773.db2.gz MLBSCCAQKYHBLC-PBHICJAKSA-N 0 3 321.490 3.134 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C)cs1)C2 ZINC001045938225 657099516 /nfs/dbraw/zinc/09/95/16/657099516.db2.gz VCJLSESHEJTQKT-GOSISDBHSA-N 0 3 316.470 3.008 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C(C)(C)C)C2 ZINC001045948286 657103081 /nfs/dbraw/zinc/10/30/81/657103081.db2.gz XAUNRUMRWQUFGM-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2cc3sccc3s2)C1 ZINC001028631239 657105763 /nfs/dbraw/zinc/10/57/63/657105763.db2.gz CEHPQZUBAILQHV-GFCCVEGCSA-N 0 3 318.467 3.038 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001045964884 657108752 /nfs/dbraw/zinc/10/87/52/657108752.db2.gz PPWJYUNAFAQLLL-PMACEKPBSA-N 0 3 316.489 3.317 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)c1ccccc1)C2 ZINC001045980801 657112099 /nfs/dbraw/zinc/11/20/99/657112099.db2.gz JQNLBXHRIPKPFB-RXVVDRJESA-N 0 3 324.468 3.128 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)c1ccccc1)C2 ZINC001045980800 657112582 /nfs/dbraw/zinc/11/25/82/657112582.db2.gz JQNLBXHRIPKPFB-NQIIRXRSSA-N 0 3 324.468 3.128 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc(CC(C)C)s2)CC1 ZINC001000783122 657153154 /nfs/dbraw/zinc/15/31/54/657153154.db2.gz AXRDBACWMNJRRW-UHFFFAOYSA-N 0 3 318.486 3.495 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001028711415 657153615 /nfs/dbraw/zinc/15/36/15/657153615.db2.gz AILKTGVPMZAYQG-MRXNPFEDSA-N 0 3 324.424 3.125 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001046421591 657159726 /nfs/dbraw/zinc/15/97/26/657159726.db2.gz DWTKJZHNYJMCSX-QUCCMNQESA-N 0 3 312.457 3.263 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2nc3ccccc3cc2C)C1 ZINC001046495547 657169653 /nfs/dbraw/zinc/16/96/53/657169653.db2.gz HBECYLNWVNRTAT-HXUWFJFHSA-N 0 3 323.440 3.314 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc3ncccc32)C1 ZINC001046520790 657172680 /nfs/dbraw/zinc/17/26/80/657172680.db2.gz GLQBNSYHBRMSQB-IBGZPJMESA-N 0 3 309.413 3.005 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001046588155 657184619 /nfs/dbraw/zinc/18/46/19/657184619.db2.gz LGOHNXVPCDGNRV-KRWDZBQOSA-N 0 3 306.837 3.419 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(F)c3ccccc23)C1 ZINC001028819072 657191331 /nfs/dbraw/zinc/19/13/31/657191331.db2.gz HXBHZYNJFQDLID-HNNXBMFYSA-N 0 3 324.399 3.054 20 30 DGEDHN C=CCN1CC=C(CNC(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC001001275481 657203547 /nfs/dbraw/zinc/20/35/47/657203547.db2.gz JUFJLJULSUDGCR-UHFFFAOYSA-N 0 3 321.424 3.091 20 30 DGEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2scnc2C2CC2)C1 ZINC001046685557 657204011 /nfs/dbraw/zinc/20/40/11/657204011.db2.gz BIRZQDOVCBVFEK-KRWDZBQOSA-N 0 3 319.474 3.181 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001046693173 657204549 /nfs/dbraw/zinc/20/45/49/657204549.db2.gz PKWQWGYJAVCZFC-HXUWFJFHSA-N 0 3 310.441 3.416 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001046805260 657223338 /nfs/dbraw/zinc/22/33/38/657223338.db2.gz KPOLHMNNLNJSGJ-QGZVFWFLSA-N 0 3 322.811 3.005 20 30 DGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCCc3ccccc32)CC1 ZINC001001475834 657224095 /nfs/dbraw/zinc/22/40/95/657224095.db2.gz KNOAKAGPYBSOIU-FQEVSTJZSA-N 0 3 324.468 3.431 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001046808806 657225085 /nfs/dbraw/zinc/22/50/85/657225085.db2.gz ATYDLPAVYMINQL-TVPLGVNVSA-N 0 3 304.478 3.360 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046817450 657228424 /nfs/dbraw/zinc/22/84/24/657228424.db2.gz ZJYHLKAQKPPCHI-QGZVFWFLSA-N 0 3 315.442 3.067 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2csc3c2CCCC3)C1 ZINC001046817614 657228563 /nfs/dbraw/zinc/22/85/63/657228563.db2.gz FEOSDUZCWFFERN-SFHVURJKSA-N 0 3 318.486 3.397 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001046824333 657230322 /nfs/dbraw/zinc/23/03/22/657230322.db2.gz MFXFMKHDEPKERN-LJQANCHMSA-N 0 3 300.446 3.265 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cncc3ccccc32)C1 ZINC001046850281 657235525 /nfs/dbraw/zinc/23/55/25/657235525.db2.gz RFIQGFQCGGLSFK-LJQANCHMSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001046853651 657236546 /nfs/dbraw/zinc/23/65/46/657236546.db2.gz CBZZRCXLCQROKO-LJQANCHMSA-N 0 3 311.429 3.111 20 30 DGEDHN C#CCN1CC[C@@H](CNC(=O)c2ccccc2-c2ccccc2)C1 ZINC001028967700 657242102 /nfs/dbraw/zinc/24/21/02/657242102.db2.gz FGMVZWDFEFNHHO-KRWDZBQOSA-N 0 3 318.420 3.039 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cccc4c3CCCC4)[C@@H]2C1 ZINC001050056517 657243394 /nfs/dbraw/zinc/24/33/94/657243394.db2.gz YEXYAAGZGHRIEA-FXAWDEMLSA-N 0 3 324.468 3.288 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C3CCCCCCC3)[C@@H]2C1 ZINC001050094424 657248483 /nfs/dbraw/zinc/24/84/83/657248483.db2.gz YGGYWDDMDJXSLX-ZWKOTPCHSA-N 0 3 304.478 3.456 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001050153564 657261143 /nfs/dbraw/zinc/26/11/43/657261143.db2.gz TYZPEZJBPFHGRN-RBUKOAKNSA-N 0 3 316.489 3.293 20 30 DGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)[C@@H]2C1 ZINC001050164337 657263099 /nfs/dbraw/zinc/26/30/99/657263099.db2.gz DAPSEZICAYNEOI-UWWQBHOKSA-N 0 3 316.445 3.109 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001047220471 657280905 /nfs/dbraw/zinc/28/09/05/657280905.db2.gz YPRKTHDGNYJEQU-HXUWFJFHSA-N 0 3 324.468 3.274 20 30 DGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)CC1 ZINC001047222933 657281550 /nfs/dbraw/zinc/28/15/50/657281550.db2.gz FRBBQJOVMLSLNV-QGZVFWFLSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C3CC(C)(C)C3)C2)CC1 ZINC001047238476 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CC#CCN1CCC2(CN(C(=O)[C@H]3CCCC[C@H]3CC)C2)CC1 ZINC001050717772 657348290 /nfs/dbraw/zinc/34/82/90/657348290.db2.gz WIXWSCCMYZAFQO-MSOLQXFVSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC001050768730 657359747 /nfs/dbraw/zinc/35/97/47/657359747.db2.gz BUYIOUQGGGGJIC-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C3CCCCC3)cccc2C1 ZINC001051277844 657377943 /nfs/dbraw/zinc/37/79/43/657377943.db2.gz ACVJHTKYHBTYBY-UHFFFAOYSA-N 0 3 324.468 3.265 20 30 DGEDHN C=C(C)CN1CCc2c(CNC(=O)c3ccoc3)cccc2C1 ZINC001051279062 657379970 /nfs/dbraw/zinc/37/99/70/657379970.db2.gz QMHKLSTXCWMMOJ-UHFFFAOYSA-N 0 3 310.397 3.144 20 30 DGEDHN COc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000237236133 657395640 /nfs/dbraw/zinc/39/56/40/657395640.db2.gz OPPJHXQXASRJGB-ZDUSSCGKSA-N 0 3 314.360 3.415 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968369878 657397238 /nfs/dbraw/zinc/39/72/38/657397238.db2.gz RRCCNGNPRYZRCW-VQIMIIECSA-N 0 3 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C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc2ccccc2o1 ZINC001017782586 658460681 /nfs/dbraw/zinc/46/06/81/658460681.db2.gz ARMBTLKFCMBCSH-CALCHBBNSA-N 0 3 324.424 3.227 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CCC1 ZINC001017775397 658460998 /nfs/dbraw/zinc/46/09/98/658460998.db2.gz UCQNBDPFHMOKSP-CALCHBBNSA-N 0 3 302.462 3.208 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000966572118 658483215 /nfs/dbraw/zinc/48/32/15/658483215.db2.gz YTBOXHBAKNKYDO-JXFKEZNVSA-N 0 3 324.468 3.418 20 30 DGEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000966572122 658483315 /nfs/dbraw/zinc/48/33/15/658483315.db2.gz YTBOXHBAKNKYDO-OXJNMPFZSA-N 0 3 324.468 3.418 20 30 DGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001017972765 658485424 /nfs/dbraw/zinc/48/54/24/658485424.db2.gz DEIBQLUFEMZTGV-ZJPYXAASSA-N 0 3 304.478 3.310 20 30 DGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001017991111 658486638 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C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960178 658651005 /nfs/dbraw/zinc/65/10/05/658651005.db2.gz DPGGWEMIARDSAV-HKUYNNGSSA-N 0 3 314.429 3.085 20 30 DGEDHN C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960178 658651009 /nfs/dbraw/zinc/65/10/09/658651009.db2.gz DPGGWEMIARDSAV-HKUYNNGSSA-N 0 3 314.429 3.085 20 30 DGEDHN CC#CCN1CC[C@@]2(NC(=O)CC3=CCCCC3)CCC[C@H]12 ZINC000990056070 658656188 /nfs/dbraw/zinc/65/61/88/658656188.db2.gz PVJOLHZOSDLYMT-HKUYNNGSSA-N 0 3 300.446 3.013 20 30 DGEDHN C=C(C)CN1CC[C@]2(NC(=O)c3oc(C)cc3C)CCC[C@@H]12 ZINC000990119387 658660799 /nfs/dbraw/zinc/66/07/99/658660799.db2.gz CLKCNPGVBPMQAJ-CRAIPNDOSA-N 0 3 302.418 3.199 20 30 DGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076696 658664393 /nfs/dbraw/zinc/66/43/93/658664393.db2.gz FBDGNRXNQXILCY-QAPCUYQASA-N 0 3 323.440 3.251 20 30 DGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@@H]12 ZINC000990249896 658671887 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304.478 3.360 20 30 DGEDHN C#CCNC(=O)[C@@H](C)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000128935885 658805319 /nfs/dbraw/zinc/80/53/19/658805319.db2.gz XRJYGJUMJWNGFO-YLJYHZDGSA-N 0 3 320.436 3.088 20 30 DGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCc4ccccc43)CCC[C@H]12 ZINC000991381017 658873046 /nfs/dbraw/zinc/87/30/46/658873046.db2.gz BTCWHFBBHFAGMU-IRFCIJBXSA-N 0 3 324.468 3.406 20 30 DGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](CC)SC)cc1 ZINC000156496926 658924834 /nfs/dbraw/zinc/92/48/34/658924834.db2.gz HATSFIIWWCRMGQ-KBPBESRZSA-N 0 3 304.415 3.038 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001038993953 658976641 /nfs/dbraw/zinc/97/66/41/658976641.db2.gz PYFHTXVMNWQSSY-QGZVFWFLSA-N 0 3 300.446 3.382 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(F)c2occc21 ZINC001039028213 658984569 /nfs/dbraw/zinc/98/45/69/658984569.db2.gz JOURDKADOPUXEL-CYBMUJFWSA-N 0 3 316.376 3.342 20 30 DGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001039119282 659006639 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KAOZHZPEECFXTA-YJBOKZPZSA-N 0 3 300.446 3.408 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072050107 686844590 /nfs/dbraw/zinc/84/45/90/686844590.db2.gz SUNNEJJSJWUFLO-HKUYNNGSSA-N 0 3 314.473 3.391 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)CC[C@H]1C ZINC001072049954 686845161 /nfs/dbraw/zinc/84/51/61/686845161.db2.gz RZQSMGWSEYIXQW-UZLBHIALSA-N 0 3 324.468 3.171 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2sc(C)nc2C)CC[C@@H]1C ZINC001072055262 686850022 /nfs/dbraw/zinc/85/00/22/686850022.db2.gz RLXAPWJNTHAAMZ-WFASDCNBSA-N 0 3 321.490 3.309 20 30 DGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3c(c2)CCC3)CC[C@H]1C ZINC001072066520 686855319 /nfs/dbraw/zinc/85/53/19/686855319.db2.gz MEBFSNFEOFVWRY-DNVCBOLYSA-N 0 3 312.457 3.334 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)CC[C@@H]1C ZINC001072088218 686859005 /nfs/dbraw/zinc/85/90/05/686859005.db2.gz IEPGYYDVKOUZIF-KXBFYZLASA-N 0 3 310.441 3.170 20 30 DGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001072098863 686863911 /nfs/dbraw/zinc/86/39/11/686863911.db2.gz HLJFIPYROVWQBR-DZGCQCFKSA-N 0 3 306.475 3.469 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)s2)CC[C@H]1C ZINC001072099128 686864876 /nfs/dbraw/zinc/86/48/76/686864876.db2.gz LQDUURKLEXVPKV-HIFRSBDPSA-N 0 3 306.475 3.144 20 30 DGEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072113248 686872701 /nfs/dbraw/zinc/87/27/01/686872701.db2.gz RVKIBQGABXLNIU-OLZOCXBDSA-N 0 3 310.438 3.436 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3cc(F)c4ccccc4c3)C2)C1 ZINC001072802017 686962560 /nfs/dbraw/zinc/96/25/60/686962560.db2.gz JFRZEJGAOYKBCC-UHFFFAOYSA-N 0 3 324.399 3.313 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC(C3CCC3)C3CCC3)C2)C1 ZINC001072987767 686995314 /nfs/dbraw/zinc/99/53/14/686995314.db2.gz ZPOKSCOMTZOFES-UHFFFAOYSA-N 0 3 316.489 3.313 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CC)CC3CCCC3)C2)C1 ZINC001073031616 687002554 /nfs/dbraw/zinc/00/25/54/687002554.db2.gz LVCXHOHSJOJYPR-SFHVURJKSA-N 0 3 316.489 3.151 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC001073127979 687015758 /nfs/dbraw/zinc/01/57/58/687015758.db2.gz MYZXDAQGNZNERR-KRWDZBQOSA-N 0 3 316.489 3.151 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC001073143985 687018453 /nfs/dbraw/zinc/01/84/53/687018453.db2.gz NOFAAELYCBZXCD-UHFFFAOYSA-N 0 3 324.346 3.039 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)c3cccc4ccccc43)C2)C1 ZINC001073402986 687188707 /nfs/dbraw/zinc/18/87/07/687188707.db2.gz UUQHKVGHIITEAY-UHFFFAOYSA-N 0 3 318.420 3.011 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)CC[C@H]3CCc4ccccc43)C2)C1 ZINC001073450573 687195545 /nfs/dbraw/zinc/19/55/45/687195545.db2.gz ATHWDCVAINSKPO-GOSISDBHSA-N 0 3 324.468 3.217 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)c3oc4c(cccc4C)c3C)C2)C1 ZINC001073459038 687197048 /nfs/dbraw/zinc/19/70/48/687197048.db2.gz IKARZMLOSWXNHT-UHFFFAOYSA-N 0 3 324.424 3.384 20 30 DGEDHN C=CCN1CCC2(CN(C(=O)C3(c4ccc(C)cc4)CCC3)C2)C1 ZINC001073473444 687201832 /nfs/dbraw/zinc/20/18/32/687201832.db2.gz ATVLWAZRVGIWDT-UHFFFAOYSA-N 0 3 324.468 3.137 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001076208847 687495027 /nfs/dbraw/zinc/49/50/27/687495027.db2.gz NAZRSEZQDWBFNI-VQTJNVASSA-N 0 3 324.468 3.466 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4sccc4c3)[C@@H]2C1 ZINC001076417553 687520853 /nfs/dbraw/zinc/52/08/53/687520853.db2.gz JPKARWDLYOOPDW-JKSUJKDBSA-N 0 3 312.438 3.234 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C4CCC4)c3)[C@@H]2C1 ZINC001076460898 687524818 /nfs/dbraw/zinc/52/48/18/687524818.db2.gz HYKBAOGCOYLVDO-RBUKOAKNSA-N 0 3 310.441 3.286 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)[C@@H]2C1 ZINC001076601990 687541860 /nfs/dbraw/zinc/54/18/60/687541860.db2.gz RNPAXPJRBGCWPM-QILLFSRXSA-N 0 3 316.420 3.038 20 30 DGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076643844 687546759 /nfs/dbraw/zinc/54/67/59/687546759.db2.gz RTNSMDPLVJUPEL-GVDBMIGSSA-N 0 3 304.478 3.312 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2F)C12CCC2 ZINC001078538689 687678863 /nfs/dbraw/zinc/67/88/63/687678863.db2.gz GWSPDEGRISDTRE-GJZGRUSLSA-N 0 3 322.811 3.209 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2oc(C)cc2C)C12CCC2 ZINC001078585330 687684987 /nfs/dbraw/zinc/68/49/87/687684987.db2.gz DPJGQDHXESHFBO-KBPBESRZSA-N 0 3 322.836 3.280 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)=C2CCC2)C12CCC2 ZINC001078624458 687690791 /nfs/dbraw/zinc/69/07/91/687690791.db2.gz RSBYUHBCSYTOGY-GJZGRUSLSA-N 0 3 308.853 3.256 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)C12CCC2 ZINC001078703126 687708115 /nfs/dbraw/zinc/70/81/15/687708115.db2.gz KZEMDIRLMJNSKQ-CABCVRRESA-N 0 3 322.880 3.336 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(C)CC=CC2)C12CCC2 ZINC001078718528 687712377 /nfs/dbraw/zinc/71/23/77/687712377.db2.gz RFYAVSUUXCKSQP-ZIAGYGMSSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CC=CC2)C12CCC2 ZINC001078718527 687712446 /nfs/dbraw/zinc/71/24/46/687712446.db2.gz RFYAVSUUXCKSQP-UONOGXRCSA-N 0 3 308.853 3.112 20 30 DGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)C12CCC2 ZINC001078791375 687731620 /nfs/dbraw/zinc/73/16/20/687731620.db2.gz IPBWBFRZYLEQKL-HZPDHXFCSA-N 0 3 318.848 3.378 20 30 DGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001079886779 687901402 /nfs/dbraw/zinc/90/14/02/687901402.db2.gz DQMWVLSADMRXNG-NXWXRZEISA-N 0 3 316.489 3.053 20 30 DGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001079886786 687901815 /nfs/dbraw/zinc/90/18/15/687901815.db2.gz FCKCFDZHGXMXNG-VDHUWJSZSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001080604324 688000207 /nfs/dbraw/zinc/00/02/07/688000207.db2.gz WCRXEOXXSDHETG-DNVCBOLYSA-N 0 3 310.441 3.272 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001080971579 688030360 /nfs/dbraw/zinc/03/03/60/688030360.db2.gz WLBBTMSSSQJACT-IIYDPXPESA-N 0 3 322.399 3.081 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001081022394 688036744 /nfs/dbraw/zinc/03/67/44/688036744.db2.gz VNTHIMKZSRYJJO-QAQJPARQSA-N 0 3 304.478 3.215 20 30 DGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001081046480 688041769 /nfs/dbraw/zinc/04/17/69/688041769.db2.gz LKDKPSPONHKGTD-SJLPKXTDSA-N 0 3 312.457 3.039 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1nc(C)no1 ZINC001577426458 1191900478 /nfs/dbraw/zinc/90/04/78/1191900478.db2.gz OXERMGGGOZJVSG-LSDHHAIUSA-N 0 3 322.453 3.119 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001577426858 1191900694 /nfs/dbraw/zinc/90/06/94/1191900694.db2.gz YQKXDNNBHMEMJV-XMTFNYHQSA-N 0 3 324.509 3.216 20 30 DGEDHN CC[C@H](N)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001578231084 1191932859 /nfs/dbraw/zinc/93/28/59/1191932859.db2.gz CAWSNCSFUZYXST-ACJLOTCBSA-N 0 3 307.397 3.140 20 30 DGEDHN CSc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC001579388529 1191975248 /nfs/dbraw/zinc/97/52/48/1191975248.db2.gz XHURJNMVYIHJHK-LLVKDONJSA-N 0 3 311.838 3.412 20 30 DGEDHN Cc1ccc(-c2ncccc2NC(=O)[C@@H](N)CCCC#N)s1 ZINC001579650165 1191984563 /nfs/dbraw/zinc/98/45/63/1191984563.db2.gz BUFPJZGZDSNATP-LBPRGKRZSA-N 0 3 314.414 3.078 20 30 DGEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1)c1ccccn1 ZINC001580048994 1192004531 /nfs/dbraw/zinc/00/45/31/1192004531.db2.gz CJWHHNNLIZUNDR-QGZVFWFLSA-N 0 3 322.412 3.026 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)N(CC1CCCCC1)c1ccccn1 ZINC001580047546 1192004619 /nfs/dbraw/zinc/00/46/19/1192004619.db2.gz KAAVIZYKMMEGCP-MRXNPFEDSA-N 0 3 314.433 3.016 20 30 DGEDHN N#CCCC[C@H](N)C(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC001580047000 1192004873 /nfs/dbraw/zinc/00/48/73/1192004873.db2.gz BAJBCBJBLGTZAH-INIZCTEOSA-N 0 3 303.381 3.122 20 30 DGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001620646969 1192058122 /nfs/dbraw/zinc/05/81/22/1192058122.db2.gz YFYZIHZEZDICCQ-ZDUSSCGKSA-N 0 3 305.378 3.210 20 30 DGEDHN C=CCCC[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC001583472539 1192147751 /nfs/dbraw/zinc/14/77/51/1192147751.db2.gz XIKOPJSITJZUGL-PKOBYXMFSA-N 0 3 312.457 3.479 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1(CF)CCC1 ZINC001663105638 1196793230 /nfs/dbraw/zinc/79/32/30/1196793230.db2.gz WMFMSCUSYLEBSK-CQSZACIVSA-N 0 3 316.848 3.240 20 30 DGEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001586717331 1192345913 /nfs/dbraw/zinc/34/59/13/1192345913.db2.gz RHVWTKLIZYHJGL-IFXJQAMLSA-N 0 3 324.428 3.493 20 30 DGEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001586717330 1192346195 /nfs/dbraw/zinc/34/61/95/1192346195.db2.gz RHVWTKLIZYHJGL-AUUYWEPGSA-N 0 3 324.428 3.493 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001663684274 1196928503 /nfs/dbraw/zinc/92/85/03/1196928503.db2.gz VAQDPGOEDOZVPX-IAGOWNOFSA-N 0 3 304.478 3.054 20 30 DGEDHN C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589963428 1192479866 /nfs/dbraw/zinc/47/98/66/1192479866.db2.gz XCBAVWDQPCJPRU-CQSZACIVSA-N 0 3 324.432 3.381 20 30 DGEDHN C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589963428 1192479868 /nfs/dbraw/zinc/47/98/68/1192479868.db2.gz XCBAVWDQPCJPRU-CQSZACIVSA-N 0 3 324.432 3.381 20 30 DGEDHN CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590462541 1192510089 /nfs/dbraw/zinc/51/00/89/1192510089.db2.gz CZIGUKYDJKIGIP-OAHLLOKOSA-N 0 3 312.421 3.237 20 30 DGEDHN CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590462541 1192510092 /nfs/dbraw/zinc/51/00/92/1192510092.db2.gz CZIGUKYDJKIGIP-OAHLLOKOSA-N 0 3 312.421 3.237 20 30 DGEDHN CCCCCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cn1 ZINC001590592952 1192529872 /nfs/dbraw/zinc/52/98/72/1192529872.db2.gz QAIKNXPNLDPFCI-ZDUSSCGKSA-N 0 3 302.426 3.100 20 30 DGEDHN CCCCCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cn1 ZINC001590592952 1192529876 /nfs/dbraw/zinc/52/98/76/1192529876.db2.gz QAIKNXPNLDPFCI-ZDUSSCGKSA-N 0 3 302.426 3.100 20 30 DGEDHN COc1cc(CNCc2ccc([Si](C)(C)C)cc2)ccc1C#N ZINC001620956668 1192652986 /nfs/dbraw/zinc/65/29/86/1192652986.db2.gz GOBBVQWNYZJHEE-UHFFFAOYSA-N 0 3 324.500 3.402 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001690969478 1176050600 /nfs/dbraw/zinc/05/06/00/1176050600.db2.gz MLAZTXJSZYHBLP-INIZCTEOSA-N 0 3 304.409 3.073 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001691002834 1176084378 /nfs/dbraw/zinc/08/43/78/1176084378.db2.gz VIAYTJLBLUUSDT-AWEZNQCLSA-N 0 3 308.853 3.143 20 30 DGEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)C1CCCCC1 ZINC001754031015 1176182740 /nfs/dbraw/zinc/18/27/40/1176182740.db2.gz OFYICLLAQNABML-UHFFFAOYSA-N 0 3 319.474 3.138 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001670671954 1176211010 /nfs/dbraw/zinc/21/10/10/1176211010.db2.gz HKFWTGNONRUNCM-INIZCTEOSA-N 0 3 304.409 3.213 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2ccncc21 ZINC001670706909 1176225761 /nfs/dbraw/zinc/22/57/61/1176225761.db2.gz GPMYIBRNDCFZKN-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001670719022 1176231531 /nfs/dbraw/zinc/23/15/31/1176231531.db2.gz IKYFRVMTXCQXSA-QGZVFWFLSA-N 0 3 319.493 3.416 20 30 DGEDHN C=C(C)CN[C@H](CNC(=O)C1(CF)CCC1)c1ccccc1 ZINC001691797654 1176234779 /nfs/dbraw/zinc/23/47/79/1176234779.db2.gz WFLUSLKRLNFGKX-MRXNPFEDSA-N 0 3 304.409 3.149 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1cc(F)ccc1F ZINC001670728658 1176245809 /nfs/dbraw/zinc/24/58/09/1176245809.db2.gz BEPHUCMFQREQPI-INIZCTEOSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1cc(F)ccc1F ZINC001670728659 1176246224 /nfs/dbraw/zinc/24/62/24/1176246224.db2.gz BEPHUCMFQREQPI-MRXNPFEDSA-N 0 3 322.399 3.054 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NCc2conc2CC)CC1 ZINC001772541763 1176272834 /nfs/dbraw/zinc/27/28/34/1176272834.db2.gz HEXOSMNVRPGMEG-WKILWMFISA-N 0 3 319.449 3.110 20 30 DGEDHN C=C(C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001772542116 1176273685 /nfs/dbraw/zinc/27/36/85/1176273685.db2.gz UQXORBATHXKWAT-SFHVURJKSA-N 0 3 315.461 3.397 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccs1 ZINC001691059697 1176284000 /nfs/dbraw/zinc/28/40/00/1176284000.db2.gz YTEYMAAJNGZJLU-LSDHHAIUSA-N 0 3 306.475 3.351 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001691798863 1176301785 /nfs/dbraw/zinc/30/17/85/1176301785.db2.gz SJLOUAYOICCPTR-INIZCTEOSA-N 0 3 315.461 3.006 20 30 DGEDHN CC#CCCCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001691095424 1176308901 /nfs/dbraw/zinc/30/89/01/1176308901.db2.gz YJLWFBFZRVYDEH-KRWDZBQOSA-N 0 3 318.486 3.331 20 30 DGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001691108175 1176316184 /nfs/dbraw/zinc/31/61/84/1176316184.db2.gz CDHKMKLDGHEBQB-YJBOKZPZSA-N 0 3 318.436 3.161 20 30 DGEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C1CCCCC1 ZINC001691131009 1176330585 /nfs/dbraw/zinc/33/05/85/1176330585.db2.gz RRBMUXROZCXXFA-KESTWPANSA-N 0 3 324.468 3.103 20 30 DGEDHN C=C(C)CN(CCNC(=O)Cc1cc(C)ccc1C)C1CC1 ZINC001691222565 1176401933 /nfs/dbraw/zinc/40/19/33/1176401933.db2.gz AAWHUNJOOQEIHR-UHFFFAOYSA-N 0 3 300.446 3.003 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001691275979 1176421188 /nfs/dbraw/zinc/42/11/88/1176421188.db2.gz YCGKTXLETIIOLM-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1conc1C ZINC001691294202 1176428288 /nfs/dbraw/zinc/42/82/88/1176428288.db2.gz JJGKOMNYBHACCX-YOEHRIQHSA-N 0 3 319.449 3.056 20 30 DGEDHN C=CCCCN1CC[C@H](NC(=O)c2cnc(C(C)C)s2)[C@H]1C ZINC001691773465 1176449268 /nfs/dbraw/zinc/44/92/68/1176449268.db2.gz IPPCLJBSZCNZAP-KGLIPLIRSA-N 0 3 321.490 3.425 20 30 DGEDHN CCCCCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001698813914 1176459626 /nfs/dbraw/zinc/45/96/26/1176459626.db2.gz KLGQTXCPNXOVQC-ZDUSSCGKSA-N 0 3 307.463 3.137 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(F)cc1Cl ZINC001691398849 1176465940 /nfs/dbraw/zinc/46/59/40/1176465940.db2.gz KYUGWKQBVXBHBN-OAHLLOKOSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001670735269 1176496896 /nfs/dbraw/zinc/49/68/96/1176496896.db2.gz XSWAEHHTPPMVTJ-RHSMWYFYSA-N 0 3 320.864 3.285 20 30 DGEDHN C=CCCCCCN1CC[C@](C)(NC(=O)c2scnc2C)C1 ZINC001671613401 1176499146 /nfs/dbraw/zinc/49/91/46/1176499146.db2.gz CNFFBUJJJLBUHV-KRWDZBQOSA-N 0 3 321.490 3.392 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(Cl)s1 ZINC001691427133 1176510522 /nfs/dbraw/zinc/51/05/22/1176510522.db2.gz SDFRWVHPRBCLRE-UHFFFAOYSA-N 0 3 300.855 3.162 20 30 DGEDHN Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C#CC(C)C)C2)cs1 ZINC001267106709 1176512969 /nfs/dbraw/zinc/51/29/69/1176512969.db2.gz VAZJZZFUNSFWAP-QGZVFWFLSA-N 0 3 318.486 3.139 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3(C)CCCC3)C(C)(C)[C@H]21 ZINC001691427812 1176520443 /nfs/dbraw/zinc/52/04/43/1176520443.db2.gz FOKDPHHEHMCIEI-NXHRZFHOSA-N 0 3 316.489 3.195 20 30 DGEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC3(C)CCCC3)C(C)(C)[C@H]21 ZINC001691427811 1176520578 /nfs/dbraw/zinc/52/05/78/1176520578.db2.gz FOKDPHHEHMCIEI-NJAFHUGGSA-N 0 3 316.489 3.195 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001691440646 1176576167 /nfs/dbraw/zinc/57/61/67/1176576167.db2.gz CKCKTMVEHGIRLI-ZDUSSCGKSA-N 0 3 310.388 3.115 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001755029266 1176722923 /nfs/dbraw/zinc/72/29/23/1176722923.db2.gz UVTIMRXZCCDLKG-AWEZNQCLSA-N 0 3 318.383 3.103 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)Cc2ccccc2F)CC1 ZINC001752441629 1176823018 /nfs/dbraw/zinc/82/30/18/1176823018.db2.gz IMYZBBKVMBWDPV-UHFFFAOYSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CSC ZINC001752531826 1176886649 /nfs/dbraw/zinc/88/66/49/1176886649.db2.gz KUTFTPIUAFLFJC-YESZJQIVSA-N 0 3 324.534 3.407 20 30 DGEDHN CC#CC[C@H](CO)NCc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC001620990305 1192777687 /nfs/dbraw/zinc/77/76/87/1192777687.db2.gz MJAUNDQCBDEPNU-MAUKXSAKSA-N 0 3 320.452 3.172 20 30 DGEDHN CC#CCNC1(CNC(=O)c2ccccc2CC(C)(C)C)CC1 ZINC001670801878 1177024353 /nfs/dbraw/zinc/02/43/53/1177024353.db2.gz FBUAQXDOFSUYGX-UHFFFAOYSA-N 0 3 312.457 3.151 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001691508642 1177028294 /nfs/dbraw/zinc/02/82/94/1177028294.db2.gz CDQUDGNHQLUMQM-YDHLFZDLSA-N 0 3 300.874 3.296 20 30 DGEDHN C=CC1(CC(=O)N(C)CCNCc2cccnc2)CCCCC1 ZINC001691511297 1177046226 /nfs/dbraw/zinc/04/62/26/1177046226.db2.gz OOQURNSPPSTELG-UHFFFAOYSA-N 0 3 315.461 3.156 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001755501618 1177048980 /nfs/dbraw/zinc/04/89/80/1177048980.db2.gz CZIAOUSPOXMTQW-OLZOCXBDSA-N 0 3 322.827 3.439 20 30 DGEDHN CCC[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001752862779 1177354772 /nfs/dbraw/zinc/35/47/72/1177354772.db2.gz SAXCFNHWCVAFAJ-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN CCCC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001752869696 1177363532 /nfs/dbraw/zinc/36/35/32/1177363532.db2.gz GVDMIZBQDCXFLM-KGLIPLIRSA-N 0 3 319.424 3.118 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)C2(C)CC2)CC1 ZINC001670984955 1177563438 /nfs/dbraw/zinc/56/34/38/1177563438.db2.gz JWSFWCPEORPDNL-UHFFFAOYSA-N 0 3 310.869 3.242 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001671694728 1177565985 /nfs/dbraw/zinc/56/59/85/1177565985.db2.gz WOKPXIGGTFJYGM-DNVCBOLYSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCC ZINC001671006546 1177568993 /nfs/dbraw/zinc/56/89/93/1177568993.db2.gz JJABOVUJHDGWTI-OKZBNKHCSA-N 0 3 322.493 3.223 20 30 DGEDHN C=CCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001691657568 1177597841 /nfs/dbraw/zinc/59/78/41/1177597841.db2.gz WSSBTBHQWMRQDQ-SFHVURJKSA-N 0 3 300.446 3.384 20 30 DGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccc(C)s2)CC1 ZINC001113736401 1177729572 /nfs/dbraw/zinc/72/95/72/1177729572.db2.gz IPPWSZHUDGGZIA-HNNXBMFYSA-N 0 3 320.502 3.488 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1[nH]ccc1C ZINC001691721717 1177885379 /nfs/dbraw/zinc/88/53/79/1177885379.db2.gz NEARFOQGSPLPEC-SWLSCSKDSA-N 0 3 323.868 3.296 20 30 DGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001330992413 1178107437 /nfs/dbraw/zinc/10/74/37/1178107437.db2.gz VCXFYGJXDVIVOT-VXGBXAGGSA-N 0 3 317.286 3.219 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](CNCc1cncs1)C1CC1 ZINC001331324264 1178184379 /nfs/dbraw/zinc/18/43/79/1178184379.db2.gz JQZCCHXVDBPAJF-NVXWUHKLSA-N 0 3 321.490 3.072 20 30 DGEDHN CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC001331381100 1178199682 /nfs/dbraw/zinc/19/96/82/1178199682.db2.gz PGGZOXYDXVTJRI-HZSPNIEDSA-N 0 3 314.433 3.190 20 30 DGEDHN CCC[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001331405509 1178206257 /nfs/dbraw/zinc/20/62/57/1178206257.db2.gz KYLBJRLQMLWSRB-UONOGXRCSA-N 0 3 319.424 3.070 20 30 DGEDHN C[C@@H](N[C@@H](C)CN(C)C(=O)C#CC(C)(C)C)c1ccccc1F ZINC001331440569 1178214537 /nfs/dbraw/zinc/21/45/37/1178214537.db2.gz SVADMHBTXKAEPO-LSDHHAIUSA-N 0 3 318.436 3.373 20 30 DGEDHN CCCC[C@@H](C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001331440374 1178215067 /nfs/dbraw/zinc/21/50/67/1178215067.db2.gz HPQATYHMRUJTFO-MSOLQXFVSA-N 0 3 314.473 3.301 20 30 DGEDHN Cc1ccc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)cc1 ZINC001331614451 1178259856 /nfs/dbraw/zinc/25/98/56/1178259856.db2.gz XRKSGUPTHQUICP-GOSISDBHSA-N 0 3 320.436 3.097 20 30 DGEDHN CC/C=C(/C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001331859357 1178293025 /nfs/dbraw/zinc/29/30/25/1178293025.db2.gz HIXQWSRXILMRTF-ILVXOUMKSA-N 0 3 317.458 3.055 20 30 DGEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)CC1CCCC1 ZINC001331954245 1178317780 /nfs/dbraw/zinc/31/77/80/1178317780.db2.gz OYKUPDGQNHQNFW-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2ccc(F)cc2)[C@H]1C ZINC001332205921 1178392135 /nfs/dbraw/zinc/39/21/35/1178392135.db2.gz LYQRVALQMHAMFU-CRAIPNDOSA-N 0 3 318.436 3.304 20 30 DGEDHN Cc1cc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc(C)c1C#N ZINC001332454780 1178450801 /nfs/dbraw/zinc/45/08/01/1178450801.db2.gz FNBLUFPPAUEZPL-MRXNPFEDSA-N 0 3 308.385 3.034 20 30 DGEDHN C#CCCCCC(=O)N[C@H](C)C1CCN(C[C@@H](F)CC)CC1 ZINC001332947797 1178527242 /nfs/dbraw/zinc/52/72/42/1178527242.db2.gz AAUQVJTYFIUCMI-WBVHZDCISA-N 0 3 310.457 3.145 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(CC)(CC)CC)CC1 ZINC001332960265 1178528948 /nfs/dbraw/zinc/52/89/48/1178528948.db2.gz PDXJRZYRNABRTQ-MRXNPFEDSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CCC(=O)NC1(C2CCN(C[C@H](F)CC)CC2)CC1 ZINC001333181557 1178568529 /nfs/dbraw/zinc/56/85/29/1178568529.db2.gz PPWUMLNLHOKLDL-MRXNPFEDSA-N 0 3 310.457 3.452 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)C2C(C)(C)C2(C)C)c(F)c1 ZINC001333471996 1178610771 /nfs/dbraw/zinc/61/07/71/1178610771.db2.gz VJYGCOQMICTMHV-UHFFFAOYSA-N 0 3 318.436 3.400 20 30 DGEDHN CC(C)[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cnn(C)c1 ZINC001333735159 1178662669 /nfs/dbraw/zinc/66/26/69/1178662669.db2.gz ZGSJPGUSKCZUCT-JLAWEPINSA-N 0 3 308.429 3.331 20 30 DGEDHN C=CCCCC[C@H](C)NCc1cn(C)nc1Br ZINC001334777655 1178796046 /nfs/dbraw/zinc/79/60/46/1178796046.db2.gz APLSWSWOSDJUTB-NSHDSACASA-N 0 3 300.244 3.407 20 30 DGEDHN C=C(C)CCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001335741058 1178947026 /nfs/dbraw/zinc/94/70/26/1178947026.db2.gz FAFUOFPLHNDYQR-UHFFFAOYSA-N 0 3 310.388 3.211 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC001341468020 1179013051 /nfs/dbraw/zinc/01/30/51/1179013051.db2.gz YBQOYTMXXUBPSJ-NSHDSACASA-N 0 3 302.296 3.049 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC001341484937 1179016618 /nfs/dbraw/zinc/01/66/18/1179016618.db2.gz DSIYUJGOIFJBBI-UKRRQHHQSA-N 0 3 313.401 3.202 20 30 DGEDHN C=CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1Cl ZINC001341567089 1179029222 /nfs/dbraw/zinc/02/92/22/1179029222.db2.gz CIIZFSXLBOCYAO-MVVMVCHASA-N 0 3 321.848 3.498 20 30 DGEDHN CC(C)n1cccc1C(=O)C(C#N)c1nc(N)c2ccccc2n1 ZINC001341803448 1179063474 /nfs/dbraw/zinc/06/34/74/1179063474.db2.gz YBGUFWTVTHKELH-CYBMUJFWSA-N 0 3 319.368 3.084 20 30 DGEDHN N#CC(C(=O)CC1(C(F)(F)F)CC1)c1nc2ccccc2[nH]1 ZINC001342044656 1179096237 /nfs/dbraw/zinc/09/62/37/1179096237.db2.gz MNANVMQCEMENHD-VIFPVBQESA-N 0 3 307.275 3.472 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001342228608 1179119779 /nfs/dbraw/zinc/11/97/79/1179119779.db2.gz LPYXKYKBQLDFEX-OAHLLOKOSA-N 0 3 315.335 3.405 20 30 DGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Br)c1F ZINC001342362419 1179133520 /nfs/dbraw/zinc/13/35/20/1179133520.db2.gz KILNKCKRFGUMEI-JTQLQIEISA-N 0 3 315.186 3.210 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC001342387922 1179136988 /nfs/dbraw/zinc/13/69/88/1179136988.db2.gz ZGHREYRCNCUJCJ-SJLPKXTDSA-N 0 3 304.409 3.157 20 30 DGEDHN N#CC(C(=O)C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644702 1179165519 /nfs/dbraw/zinc/16/55/19/1179165519.db2.gz YGXFKHGCCNXAQT-VFFGBVLKSA-N 0 3 302.330 3.437 20 30 DGEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCC(C)C ZINC001343697158 1179318916 /nfs/dbraw/zinc/31/89/16/1179318916.db2.gz FWPHZKNTSNYVTG-MRXNPFEDSA-N 0 3 319.497 3.146 20 30 DGEDHN CC(C)n1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)n1 ZINC001343744570 1179327120 /nfs/dbraw/zinc/32/71/20/1179327120.db2.gz SUVOLVUTIDTFTG-ZDUSSCGKSA-N 0 3 324.409 3.493 20 30 DGEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1cccc(F)n1 ZINC001344005767 1179363694 /nfs/dbraw/zinc/36/36/94/1179363694.db2.gz QAQFAIJSIZBSHO-LBPRGKRZSA-N 0 3 304.271 3.308 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)CC(F)F ZINC001344322505 1179412317 /nfs/dbraw/zinc/41/23/17/1179412317.db2.gz QSWIXYVGPVVSAL-MRVPVSSYSA-N 0 3 303.740 3.321 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1c(F)cccc1F ZINC001344322748 1179413006 /nfs/dbraw/zinc/41/30/06/1179413006.db2.gz WXSPAZNCUGJJNH-ZDUSSCGKSA-N 0 3 317.339 3.380 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(F)c(F)c1 ZINC001344325657 1179413812 /nfs/dbraw/zinc/41/38/12/1179413812.db2.gz AYCSYAMGQDLUJF-CYBMUJFWSA-N 0 3 317.339 3.380 20 30 DGEDHN N#CC(C(=O)C1=COCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369468 1179421845 /nfs/dbraw/zinc/42/18/45/1179421845.db2.gz WQCBDRHEDLXAEE-JTQLQIEISA-N 0 3 301.733 3.087 20 30 DGEDHN Cc1nnc(-c2cccc(C(=O)C(C#N)c3cccc(F)n3)c2)o1 ZINC001344596376 1179456434 /nfs/dbraw/zinc/45/64/34/1179456434.db2.gz OHDCXKAUJHJJNC-ZDUSSCGKSA-N 0 3 322.299 3.069 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC001344863104 1179487752 /nfs/dbraw/zinc/48/77/52/1179487752.db2.gz FDUZWQCOXYESQA-ZBFHGGJFSA-N 0 3 320.396 3.370 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)c1c(F)cc(OC)cc1Cl ZINC001344864828 1179488850 /nfs/dbraw/zinc/48/88/50/1179488850.db2.gz VXVSBODMTCUCDC-JTQLQIEISA-N 0 3 321.739 3.194 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1ccc(C)cc1C ZINC001346095375 1179651506 /nfs/dbraw/zinc/65/15/06/1179651506.db2.gz DCCPEPIUGARKSZ-HNNXBMFYSA-N 0 3 311.385 3.165 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccccc1OC ZINC001346097065 1179652840 /nfs/dbraw/zinc/65/28/40/1179652840.db2.gz WZTQEQBIECXNHV-HIFRSBDPSA-N 0 3 311.385 3.282 20 30 DGEDHN C=C(C)CCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC001346375494 1179691756 /nfs/dbraw/zinc/69/17/56/1179691756.db2.gz GCVFLXMYTJJTBM-UHFFFAOYSA-N 0 3 315.461 3.432 20 30 DGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3ccncc3)nc21 ZINC001347051905 1179772591 /nfs/dbraw/zinc/77/25/91/1179772591.db2.gz NNPAURPIVQBTIG-RRFJBIMHSA-N 0 3 316.364 3.246 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)CCOc1ccc(C)c(C)c1 ZINC001347338167 1179797230 /nfs/dbraw/zinc/79/72/30/1179797230.db2.gz PSFDYXKMMBHBQX-INIZCTEOSA-N 0 3 311.385 3.165 20 30 DGEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccncc1 ZINC001347992804 1179825361 /nfs/dbraw/zinc/82/53/61/1179825361.db2.gz IVTPQIKRRBBDTN-MFKMUULPSA-N 0 3 301.296 3.125 20 30 DGEDHN C=CCO[C@@H]1CCN(Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC001349563324 1179916250 /nfs/dbraw/zinc/91/62/50/1179916250.db2.gz BLJMAUKMBWAXSG-LJQANCHMSA-N 0 3 311.429 3.266 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC001349702702 1179936289 /nfs/dbraw/zinc/93/62/89/1179936289.db2.gz RUFHUBNBHBBDNL-TZMCWYRMSA-N 0 3 313.788 3.370 20 30 DGEDHN C=CCC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602833074 1192999567 /nfs/dbraw/zinc/99/95/67/1192999567.db2.gz CMTUYIAJEYRTKE-AWEZNQCLSA-N 0 3 317.824 3.451 20 30 DGEDHN C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602833074 1192999569 /nfs/dbraw/zinc/99/95/69/1192999569.db2.gz CMTUYIAJEYRTKE-AWEZNQCLSA-N 0 3 317.824 3.451 20 30 DGEDHN C=CCC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602833074 1192999570 /nfs/dbraw/zinc/99/95/70/1192999570.db2.gz CMTUYIAJEYRTKE-AWEZNQCLSA-N 0 3 317.824 3.451 20 30 DGEDHN C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602833074 1192999573 /nfs/dbraw/zinc/99/95/73/1192999573.db2.gz CMTUYIAJEYRTKE-AWEZNQCLSA-N 0 3 317.824 3.451 20 30 DGEDHN CC(C)[C@@H]1C[C@H](CC(=O)C(C#N)c2ncc(F)cc2F)CCO1 ZINC001350354519 1180058505 /nfs/dbraw/zinc/05/85/05/1180058505.db2.gz RGPMDKWAEIUDTB-RBOXIYTFSA-N 0 3 322.355 3.377 20 30 DGEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCCC[C@@H]1CC ZINC001351861770 1180257757 /nfs/dbraw/zinc/25/77/57/1180257757.db2.gz RFVVOWQWQDZYAE-CVEARBPZSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C)c(F)c2)C1 ZINC001480247193 1180319691 /nfs/dbraw/zinc/31/96/91/1180319691.db2.gz PXHZBMLZDHORFY-QGZVFWFLSA-N 0 3 318.436 3.429 20 30 DGEDHN C=C(CC(C)C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001352433978 1180341260 /nfs/dbraw/zinc/34/12/60/1180341260.db2.gz SRFVRFBQKJXZDP-UHFFFAOYSA-N 0 3 315.461 3.012 20 30 DGEDHN C=CCCC(=O)NCC1CC(NCc2cccc(F)c2Cl)C1 ZINC001100177001 1180423145 /nfs/dbraw/zinc/42/31/45/1180423145.db2.gz QCJHJOFPJNJABG-UHFFFAOYSA-N 0 3 324.827 3.430 20 30 DGEDHN C[C@@H](CNC(=O)C=C1CCCCC1)NCc1ccc(C#N)s1 ZINC001480433064 1180440859 /nfs/dbraw/zinc/44/08/59/1180440859.db2.gz MHLZTOLHANRNNS-ZDUSSCGKSA-N 0 3 317.458 3.105 20 30 DGEDHN CC[C@H](C)CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001200272231 1180498864 /nfs/dbraw/zinc/49/88/64/1180498864.db2.gz ICAOXJFHJVQNNM-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN CC(C)C#CC(=O)NCC1CC(NCc2sccc2Cl)C1 ZINC001100308882 1180556424 /nfs/dbraw/zinc/55/64/24/1180556424.db2.gz AJJRZCFYORFUFR-UHFFFAOYSA-N 0 3 324.877 3.045 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC001353460502 1180562963 /nfs/dbraw/zinc/56/29/63/1180562963.db2.gz WDJXYZHYNFLKIG-MRXNPFEDSA-N 0 3 301.434 3.217 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100367507 1180621725 /nfs/dbraw/zinc/62/17/25/1180621725.db2.gz KUZVUQIZNQOTEL-UHFFFAOYSA-N 0 3 321.490 3.038 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100367495 1180622051 /nfs/dbraw/zinc/62/20/51/1180622051.db2.gz KAXAVPXARNJWJU-UHFFFAOYSA-N 0 3 319.276 3.392 20 30 DGEDHN C=CC[C@@H](NC(=S)NCCN1CCCCC1)c1ccccc1 ZINC001200445698 1180647380 /nfs/dbraw/zinc/64/73/80/1180647380.db2.gz UZJCXPQAEVXWPI-QGZVFWFLSA-N 0 3 317.502 3.254 20 30 DGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C(F)(F)F)CC1 ZINC001354020599 1180705262 /nfs/dbraw/zinc/70/52/62/1180705262.db2.gz MXCOAUSDNKPPCV-SNVBAGLBSA-N 0 3 321.302 3.482 20 30 DGEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cccc(CC)c2)C1 ZINC001100458911 1180705352 /nfs/dbraw/zinc/70/53/52/1180705352.db2.gz LZOPCOHXRUKUAD-UHFFFAOYSA-N 0 3 320.864 3.028 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2ccc(F)cc2F)C1 ZINC001100564799 1180794397 /nfs/dbraw/zinc/79/43/97/1180794397.db2.gz XWDOHAQSZKIHGY-UHFFFAOYSA-N 0 3 322.399 3.161 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100596157 1180835431 /nfs/dbraw/zinc/83/54/31/1180835431.db2.gz MNHOZNBSHSNRGP-HPUBIQBYSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCCN(C)C2)n1CC ZINC001356456679 1181197612 /nfs/dbraw/zinc/19/76/12/1181197612.db2.gz OBXAFPUVZAOZKW-HZPDHXFCSA-N 0 3 317.481 3.042 20 30 DGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC001358052417 1181450559 /nfs/dbraw/zinc/45/05/59/1181450559.db2.gz ORWIEPRNGJGUIG-MRXNPFEDSA-N 0 3 312.417 3.316 20 30 DGEDHN CCCCCCCC[C@H](N)C(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC001358434402 1181493323 /nfs/dbraw/zinc/49/33/23/1181493323.db2.gz ZVDYUPIXVKIKSZ-CTMQZQKCSA-N 0 3 310.482 3.138 20 30 DGEDHN CCN(CCNC(=O)/C=C/C(C)(C)C)Cc1cccc(C#N)c1 ZINC001492926286 1181740534 /nfs/dbraw/zinc/74/05/34/1181740534.db2.gz YCUHONMDFJKHHD-MDZDMXLPSA-N 0 3 313.445 3.099 20 30 DGEDHN C#CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CCCc2ccccc21 ZINC001439623594 1182010643 /nfs/dbraw/zinc/01/06/43/1182010643.db2.gz HYHNVZGAKMLHLY-UXHICEINSA-N 0 3 324.468 3.399 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001448883590 1182216573 /nfs/dbraw/zinc/21/65/73/1182216573.db2.gz OYMYKTJAVYSHEC-HNNXBMFYSA-N 0 3 322.880 3.485 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1OC(C)C ZINC001448879906 1182217404 /nfs/dbraw/zinc/21/74/04/1182217404.db2.gz BMBLSKWZMAWXMB-UHFFFAOYSA-N 0 3 304.434 3.054 20 30 DGEDHN C=CCCC[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC001455950473 1182389437 /nfs/dbraw/zinc/38/94/37/1182389437.db2.gz PXADBMTVNCJIFU-RYQLBKOJSA-N 0 3 300.446 3.335 20 30 DGEDHN CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC001458702884 1182549675 /nfs/dbraw/zinc/54/96/75/1182549675.db2.gz MJZMUHNQMBIXIZ-ZBFHGGJFSA-N 0 3 318.852 3.306 20 30 DGEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC001459406626 1182584691 /nfs/dbraw/zinc/58/46/91/1182584691.db2.gz OUVJYIXNQBCEGV-AEFFLSMTSA-N 0 3 317.404 3.240 20 30 DGEDHN N#Cc1ccnc(CN(CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC001459580309 1182596221 /nfs/dbraw/zinc/59/62/21/1182596221.db2.gz MWBKHEYLKRXTFG-HXUWFJFHSA-N 0 3 321.424 3.215 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C1(CC)CC ZINC001459751495 1182612204 /nfs/dbraw/zinc/61/22/04/1182612204.db2.gz PUGIOOZAZVIVGO-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN C#C[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)[C@@H]1CCCO1 ZINC001459982869 1182637330 /nfs/dbraw/zinc/63/73/30/1182637330.db2.gz JHMPGXKHUQSENO-QUCCMNQESA-N 0 3 312.457 3.256 20 30 DGEDHN C=CCN(Cc1cnc(N(C)C)c2ccccc12)[C@H](C)COC ZINC001460409041 1182686528 /nfs/dbraw/zinc/68/65/28/1182686528.db2.gz OLBXPNCZTJRFLT-OAHLLOKOSA-N 0 3 313.445 3.324 20 30 DGEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC001460886809 1182735751 /nfs/dbraw/zinc/73/57/51/1182735751.db2.gz QQYKJDRQONAXMB-HNNXBMFYSA-N 0 3 318.417 3.073 20 30 DGEDHN Cc1cc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)cs1 ZINC001462596351 1182973552 /nfs/dbraw/zinc/97/35/52/1182973552.db2.gz PXUNDPUZMUVUTG-INIZCTEOSA-N 0 3 312.442 3.400 20 30 DGEDHN C=CCC1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCCC1 ZINC001463770420 1183046430 /nfs/dbraw/zinc/04/64/30/1183046430.db2.gz MUHGRSOSFVIOMO-SFHVURJKSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001467728900 1183284800 /nfs/dbraw/zinc/28/48/00/1183284800.db2.gz VILBQIFJIJECDF-UHFFFAOYSA-N 0 3 318.505 3.415 20 30 DGEDHN CC(C)(C#N)CCCN1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001473184067 1183726437 /nfs/dbraw/zinc/72/64/37/1183726437.db2.gz HELSUXXUSIZRLF-KRWDZBQOSA-N 0 3 313.445 3.211 20 30 DGEDHN CCN(Cc1cc(C#N)ccn1)[C@@H](COC)Cc1ccccc1 ZINC001473214480 1183730498 /nfs/dbraw/zinc/73/04/98/1183730498.db2.gz YNZBAJYHPRLPFV-LJQANCHMSA-N 0 3 309.413 3.033 20 30 DGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)ccn2)C1(CC)CC ZINC001473244045 1183734708 /nfs/dbraw/zinc/73/47/08/1183734708.db2.gz OGXPMTCRKYOJNC-SJORKVTESA-N 0 3 301.434 3.369 20 30 DGEDHN CCCCO[C@@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC001473260082 1183736178 /nfs/dbraw/zinc/73/61/78/1183736178.db2.gz PYUNLDCQRQWEGS-DLBZAZTESA-N 0 3 301.434 3.369 20 30 DGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@]1(C)c1ccccc1 ZINC001473754562 1183798272 /nfs/dbraw/zinc/79/82/72/1183798272.db2.gz JXJLEIBVULASPD-LPHOPBHVSA-N 0 3 313.445 3.006 20 30 DGEDHN C#CCN(CCOC[C@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC001473825724 1183807089 /nfs/dbraw/zinc/80/70/89/1183807089.db2.gz DEDVSTOWEBXJTI-QUCCMNQESA-N 0 3 313.441 3.195 20 30 DGEDHN C=C[C@H]1CCCCN1Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001474484554 1183929824 /nfs/dbraw/zinc/92/98/24/1183929824.db2.gz UCCMFMRZHPCVEF-SFHVURJKSA-N 0 3 311.429 3.481 20 30 DGEDHN C#CCOc1cccc(Cl)c1CN1CCN([C@@H](C)CC)CC1 ZINC001474524770 1183934772 /nfs/dbraw/zinc/93/47/72/1183934772.db2.gz BJSKRIXEKMCQMM-HNNXBMFYSA-N 0 3 320.864 3.268 20 30 DGEDHN C[C@@H](NC[C@H](C)N(C)C(=O)C#CC(C)(C)C)c1ccccc1F ZINC001496053805 1184087039 /nfs/dbraw/zinc/08/70/39/1184087039.db2.gz JPRNTWCKQZVLRX-LSDHHAIUSA-N 0 3 318.436 3.373 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC[C@H]1CCCCO1 ZINC001479239741 1184214662 /nfs/dbraw/zinc/21/46/62/1184214662.db2.gz WNICFLZCDCRQOI-IAGOWNOFSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001479272782 1184224308 /nfs/dbraw/zinc/22/43/08/1184224308.db2.gz AJHYKGUWUHYERX-HNNXBMFYSA-N 0 3 304.409 3.247 20 30 DGEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001479313806 1184231532 /nfs/dbraw/zinc/23/15/32/1184231532.db2.gz IPRPQQVGXLTEQB-OTVXOJSOSA-N 0 3 321.852 3.076 20 30 DGEDHN C#CCCCC(=O)N1CCC[C@H](C)[C@H]1CCNCC(=C)Cl ZINC001479515423 1184262867 /nfs/dbraw/zinc/26/28/67/1184262867.db2.gz HBWYASHXULUKSW-GOEBONIOSA-N 0 3 310.869 3.149 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)OC2CCCC2)[C@H]1CC ZINC001479643241 1184282813 /nfs/dbraw/zinc/28/28/13/1184282813.db2.gz UFAHWCBFWPUOPD-KSZLIROESA-N 0 3 322.493 3.269 20 30 DGEDHN C#CCN1CC[C@@H]2CN(C(=O)CCCC[C@@H](C)CC)C[C@@H]2C1 ZINC001479667018 1184286224 /nfs/dbraw/zinc/28/62/24/1184286224.db2.gz IMQIZSMQTGXGEJ-KSZLIROESA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)OC2CCCCCC2)[C@H]1C ZINC001479718855 1184298411 /nfs/dbraw/zinc/29/84/11/1184298411.db2.gz UICGJERBHDIMHX-NUJGCVRESA-N 0 3 322.493 3.269 20 30 DGEDHN CC(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001479818352 1184336947 /nfs/dbraw/zinc/33/69/47/1184336947.db2.gz WTUJACZBWXHNDR-KBXCAEBGSA-N 0 3 318.848 3.071 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccncc1C ZINC001479823846 1184338809 /nfs/dbraw/zinc/33/88/09/1184338809.db2.gz QDNSGTPPFOWUMU-HOCLYGCPSA-N 0 3 321.852 3.115 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccns1 ZINC001479828719 1184340022 /nfs/dbraw/zinc/34/00/22/1184340022.db2.gz DGMKXLYNHXHLAN-GOEBONIOSA-N 0 3 321.490 3.359 20 30 DGEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccns1 ZINC001479828720 1184340342 /nfs/dbraw/zinc/34/03/42/1184340342.db2.gz DGMKXLYNHXHLAN-HOCLYGCPSA-N 0 3 321.490 3.359 20 30 DGEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C1CCCC1 ZINC001479829860 1184341658 /nfs/dbraw/zinc/34/16/58/1184341658.db2.gz DNCGVRDHUZMJMX-UHFFFAOYSA-N 0 3 312.457 3.057 20 30 DGEDHN C#CCN(CCCNC(=O)c1cc(CCC)c(C)s1)C1CC1 ZINC001479879487 1184361934 /nfs/dbraw/zinc/36/19/34/1184361934.db2.gz DRQSTOVUEWZICN-UHFFFAOYSA-N 0 3 318.486 3.227 20 30 DGEDHN CC#CCN(CCCNC(=O)C1(c2ccccc2C)CC1)C1CC1 ZINC001479880521 1184362687 /nfs/dbraw/zinc/36/26/87/1184362687.db2.gz FSBMIHABBVVPJK-UHFFFAOYSA-N 0 3 324.468 3.021 20 30 DGEDHN CC(C)c1ccccc1CN1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001479900381 1184369641 /nfs/dbraw/zinc/36/96/41/1184369641.db2.gz NXQYEHDUAKRDQK-DOTOQJQBSA-N 0 3 313.445 3.050 20 30 DGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC001479910425 1184377108 /nfs/dbraw/zinc/37/71/08/1184377108.db2.gz WODLLPSOKUJZMK-OAHLLOKOSA-N 0 3 321.465 3.402 20 30 DGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCCc2ccccc2)CC1 ZINC001479985709 1184403355 /nfs/dbraw/zinc/40/33/55/1184403355.db2.gz UXRQNMHCAIMJTP-LJQANCHMSA-N 0 3 324.468 3.003 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC001479987223 1184403411 /nfs/dbraw/zinc/40/34/11/1184403411.db2.gz WVRUXYRXGIJBEB-RTBURBONSA-N 0 3 324.468 3.174 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001479993541 1184405546 /nfs/dbraw/zinc/40/55/46/1184405546.db2.gz SDRQOBADUUWMLW-ZWKOTPCHSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccoc2CC)CC1 ZINC001479991936 1184406223 /nfs/dbraw/zinc/40/62/23/1184406223.db2.gz HLDYCJFNTQCPFY-UHFFFAOYSA-N 0 3 316.445 3.182 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC[C@H]2CCOC2)CC1 ZINC001479991565 1184406366 /nfs/dbraw/zinc/40/63/66/1184406366.db2.gz AIWGFAWRXUZEHT-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN CC#CCCCC(=O)NC[C@H](NCc1ccccc1F)C1CC1 ZINC001480041727 1184415298 /nfs/dbraw/zinc/41/52/98/1184415298.db2.gz UUTFSPKOBGLYDV-SFHVURJKSA-N 0 3 316.420 3.004 20 30 DGEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001480201641 1184458298 /nfs/dbraw/zinc/45/82/98/1184458298.db2.gz RPEWJQZRBSZEQS-GASCZTMLSA-N 0 3 322.811 3.019 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001480218739 1184461655 /nfs/dbraw/zinc/46/16/55/1184461655.db2.gz UPGZJGQDWBDTEX-IYBDPMFKSA-N 0 3 318.848 3.270 20 30 DGEDHN CCCCC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001480243032 1184467389 /nfs/dbraw/zinc/46/73/89/1184467389.db2.gz KDRJZHCXCCSVSK-GOSISDBHSA-N 0 3 313.445 3.077 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](C)c2ccccc2)C1 ZINC001480269079 1184477800 /nfs/dbraw/zinc/47/78/00/1184477800.db2.gz XDMXKDVPGPGSAN-ROUUACIJSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001480327420 1184493814 /nfs/dbraw/zinc/49/38/14/1184493814.db2.gz FHIYDPUEMKGAIM-FUHWJXTLSA-N 0 3 322.493 3.271 20 30 DGEDHN C[C@H](CNC(=O)C#CC(C)(C)C)NCc1cc2ccccc2o1 ZINC001480458182 1184533036 /nfs/dbraw/zinc/53/30/36/1184533036.db2.gz BYDUKVNSNWQHTB-CQSZACIVSA-N 0 3 312.413 3.077 20 30 DGEDHN CCC[C@@H](CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480560859 1184548216 /nfs/dbraw/zinc/54/82/16/1184548216.db2.gz GIVDJMPZLUXNGK-CHWSQXEVSA-N 0 3 307.463 3.040 20 30 DGEDHN CCC[C@H](CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480560865 1184548617 /nfs/dbraw/zinc/54/86/17/1184548617.db2.gz GIVDJMPZLUXNGK-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN CCC(CC)CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001480562824 1184548975 /nfs/dbraw/zinc/54/89/75/1184548975.db2.gz VNZAGXWHHRDCRI-ZDUSSCGKSA-N 0 3 319.424 3.118 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001480615438 1184559022 /nfs/dbraw/zinc/55/90/22/1184559022.db2.gz ZMMBFJRSFKQCTA-AWEZNQCLSA-N 0 3 321.852 3.028 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H](NCc2cc(C)ccc2OC)C1 ZINC001480619798 1184561198 /nfs/dbraw/zinc/56/11/98/1184561198.db2.gz KDVKYADTLPRGTL-KRWDZBQOSA-N 0 3 316.445 3.050 20 30 DGEDHN C=CCCC(=O)NCC[C@H](C)NCc1nsc2ccccc12 ZINC001480753395 1184598782 /nfs/dbraw/zinc/59/87/82/1184598782.db2.gz GDAZGZWGQCVBMG-ZDUSSCGKSA-N 0 3 317.458 3.247 20 30 DGEDHN CC/C(C)=C/C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001480763763 1184602369 /nfs/dbraw/zinc/60/23/69/1184602369.db2.gz XMCJIESJMGOXHR-SSUFTNFISA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCCC1(F)F ZINC001480782495 1184605912 /nfs/dbraw/zinc/60/59/12/1184605912.db2.gz SKLZHAVASOTQJI-RYUDHWBXSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2cnccc2c1 ZINC001480802051 1184612601 /nfs/dbraw/zinc/61/26/01/1184612601.db2.gz HDWPNQWPDQPLAU-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001480816574 1184617055 /nfs/dbraw/zinc/61/70/55/1184617055.db2.gz DDJLLPBMPBQQTB-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001480816574 1184617058 /nfs/dbraw/zinc/61/70/58/1184617058.db2.gz DDJLLPBMPBQQTB-MRXNPFEDSA-N 0 3 316.445 3.333 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H](CC)SC ZINC001480819744 1184617811 /nfs/dbraw/zinc/61/78/11/1184617811.db2.gz BVNJIOBWUUQTJY-UONOGXRCSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001493150711 1184658537 /nfs/dbraw/zinc/65/85/37/1184658537.db2.gz FOZMSFXJSRGFHT-QGZVFWFLSA-N 0 3 318.436 3.260 20 30 DGEDHN C#CCCCCCC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001493227765 1184671843 /nfs/dbraw/zinc/67/18/43/1184671843.db2.gz QRXOHDMNDGWXQH-INIZCTEOSA-N 0 3 318.486 3.270 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001493235868 1184673538 /nfs/dbraw/zinc/67/35/38/1184673538.db2.gz YNKLWFZWPUANMU-VQIMIIECSA-N 0 3 318.436 3.366 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001493272042 1184679192 /nfs/dbraw/zinc/67/91/92/1184679192.db2.gz SUPHBTWQUGCEBC-SJORKVTESA-N 0 3 304.478 3.054 20 30 DGEDHN C=CCN(CCNC(=O)c1cccc2c1CCCCC2)C1CC1 ZINC001493380989 1184696687 /nfs/dbraw/zinc/69/66/87/1184696687.db2.gz LGTDOQIBVFKPEA-UHFFFAOYSA-N 0 3 312.457 3.336 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(C)(F)F)cc1)C1CC1 ZINC001493452549 1184708865 /nfs/dbraw/zinc/70/88/65/1184708865.db2.gz GVILCROLPPFQCG-UHFFFAOYSA-N 0 3 308.372 3.179 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1scnc1C)c1ccccc1 ZINC001493883191 1184757266 /nfs/dbraw/zinc/75/72/66/1184757266.db2.gz HXTBQFGSKWXTGK-HNNXBMFYSA-N 0 3 315.442 3.088 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1cc(C)ccc1F)c1ccccc1 ZINC001493899679 1184761969 /nfs/dbraw/zinc/76/19/69/1184761969.db2.gz QQLBUCGZWKCGOQ-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C#CCCN[C@H](CNC(=O)C(C)(CC)CC)c1ccccc1 ZINC001493905672 1184763354 /nfs/dbraw/zinc/76/33/54/1184763354.db2.gz XAXQOOBWLFEJCZ-QGZVFWFLSA-N 0 3 300.446 3.283 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCC(C)(F)F)C1 ZINC001493955238 1184775190 /nfs/dbraw/zinc/77/51/90/1184775190.db2.gz DXWGWUBNKPFMES-CQSZACIVSA-N 0 3 302.409 3.311 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2coc3ccccc32)C1 ZINC001493977400 1184782095 /nfs/dbraw/zinc/78/20/95/1184782095.db2.gz MHOGXGGVHBECSK-MRXNPFEDSA-N 0 3 324.424 3.383 20 30 DGEDHN C=C1CCC(C(=O)N2CC[C@@H](CN(C)C/C=C/Cl)C2)CC1 ZINC001494160122 1184820302 /nfs/dbraw/zinc/82/03/02/1184820302.db2.gz OQCMVRMFUUBTIV-RUFWOKOUSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001494263259 1184839794 /nfs/dbraw/zinc/83/97/94/1184839794.db2.gz YXTZDLZMAWITPC-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001494784897 1184927762 /nfs/dbraw/zinc/92/77/62/1184927762.db2.gz AJMIYEOCHWNGNF-OAHLLOKOSA-N 0 3 321.465 3.320 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCCC2CCCCC2)C1 ZINC001494869192 1184948516 /nfs/dbraw/zinc/94/85/16/1184948516.db2.gz UPQRLEOPLUWROU-GOSISDBHSA-N 0 3 304.478 3.293 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001494899662 1184957693 /nfs/dbraw/zinc/95/76/93/1184957693.db2.gz AMYWIHUKXKKKEY-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN CCC[C@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001494954557 1184970479 /nfs/dbraw/zinc/97/04/79/1184970479.db2.gz XNYFDUUPYAOXSW-STQMWFEESA-N 0 3 307.463 3.040 20 30 DGEDHN C=C(C[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC001609052325 1193322817 /nfs/dbraw/zinc/32/28/17/1193322817.db2.gz XRMZCJJBISQCTB-SFHVURJKSA-N 0 3 317.396 3.157 20 30 DGEDHN C=C(C[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC001609052325 1193322823 /nfs/dbraw/zinc/32/28/23/1193322823.db2.gz XRMZCJJBISQCTB-SFHVURJKSA-N 0 3 317.396 3.157 20 30 DGEDHN O=C(C=C1CCC1)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001495146164 1185005188 /nfs/dbraw/zinc/00/51/88/1185005188.db2.gz XQSYZOQKFMIKMH-UHFFFAOYSA-N 0 3 322.452 3.167 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001495346781 1185037035 /nfs/dbraw/zinc/03/70/35/1185037035.db2.gz MXEBORFOXAXECV-CAOSSQGBSA-N 0 3 310.869 3.003 20 30 DGEDHN C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001495439246 1185053746 /nfs/dbraw/zinc/05/37/46/1185053746.db2.gz BLFCOSKFTNRDOJ-BZUAXINKSA-N 0 3 316.445 3.378 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCC=CCCC2)cc1 ZINC001495488775 1185063376 /nfs/dbraw/zinc/06/33/76/1185063376.db2.gz PDLGLYRJDHTUQC-IBGZPJMESA-N 0 3 310.441 3.162 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C[C@H](CC)C(C)C)cc1 ZINC001495497253 1185064933 /nfs/dbraw/zinc/06/49/33/1185064933.db2.gz HAGIKZSOKAEEEQ-IBGZPJMESA-N 0 3 314.473 3.488 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](CC)CC(F)F)CCCC1 ZINC001495918860 1185112873 /nfs/dbraw/zinc/11/28/73/1185112873.db2.gz PZQOWAAJRVIDIA-LBPRGKRZSA-N 0 3 322.827 3.439 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](F)c2ccccc2)CCCC1 ZINC001495949846 1185117327 /nfs/dbraw/zinc/11/73/27/1185117327.db2.gz SQJGQCVKPTXXRS-OAHLLOKOSA-N 0 3 324.827 3.468 20 30 DGEDHN C#CCCN1CC2(C1)CCN(C(=O)C(CCC)CCC)CC2 ZINC001495976077 1185119906 /nfs/dbraw/zinc/11/99/06/1185119906.db2.gz APFDDSQUJSMUJM-UHFFFAOYSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001496136955 1185138707 /nfs/dbraw/zinc/13/87/07/1185138707.db2.gz CBYRRSXYOMROTA-WFASDCNBSA-N 0 3 323.506 3.299 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2ccccn2)CC(C)C)C1 ZINC001496287228 1185159808 /nfs/dbraw/zinc/15/98/08/1185159808.db2.gz PHWANPOOFHFYMO-QGZVFWFLSA-N 0 3 315.461 3.058 20 30 DGEDHN CCC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CCCCC1 ZINC001496306626 1185164586 /nfs/dbraw/zinc/16/45/86/1185164586.db2.gz UOMDEEUUPNRVNP-MRXNPFEDSA-N 0 3 319.474 3.184 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001496413372 1185182994 /nfs/dbraw/zinc/18/29/94/1185182994.db2.gz ZQQPLJHLPGKRPS-OAHLLOKOSA-N 0 3 310.869 3.290 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](NCc1c(C)nsc1C)C(C)C ZINC001496567686 1185213781 /nfs/dbraw/zinc/21/37/81/1185213781.db2.gz SVZFGBJQARWPFI-INIZCTEOSA-N 0 3 323.506 3.347 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(F)c1C)C(C)C ZINC001496562587 1185214165 /nfs/dbraw/zinc/21/41/65/1185214165.db2.gz SJZFNJOIWOAMHE-HNNXBMFYSA-N 0 3 312.816 3.231 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(CC)CCCC1)C(C)C ZINC001496623984 1185222053 /nfs/dbraw/zinc/22/20/53/1185222053.db2.gz SACSOARHPAOCFD-CQSZACIVSA-N 0 3 300.874 3.440 20 30 DGEDHN CC(C)C#CC(=O)N(C)CCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001496701069 1185234348 /nfs/dbraw/zinc/23/43/48/1185234348.db2.gz SPDRTIVMWKPRKN-OAHLLOKOSA-N 0 3 320.864 3.451 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1 ZINC001496765325 1185242960 /nfs/dbraw/zinc/24/29/60/1185242960.db2.gz ZZLSOZIXSBFIMN-KRWDZBQOSA-N 0 3 300.446 3.331 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)c1c(CC)oc2ccccc21 ZINC001496843740 1185258202 /nfs/dbraw/zinc/25/82/02/1185258202.db2.gz DKIPWLKYFMQCFS-UHFFFAOYSA-N 0 3 300.402 3.185 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC001497230535 1185299649 /nfs/dbraw/zinc/29/96/49/1185299649.db2.gz YGUGESMSAZBOGB-WMLDXEAASA-N 0 3 320.864 3.417 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(F)c2occc21 ZINC001497335275 1185318238 /nfs/dbraw/zinc/31/82/38/1185318238.db2.gz YFETYJDOCWBFSK-NSHDSACASA-N 0 3 324.783 3.422 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@H](CCC)c1ccccc1 ZINC001497498735 1185341784 /nfs/dbraw/zinc/34/17/84/1185341784.db2.gz XBJYYCLBQYVKBL-GOSISDBHSA-N 0 3 300.446 3.032 20 30 DGEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C2=CCCCCC2)cc1 ZINC001497568044 1185355665 /nfs/dbraw/zinc/35/56/65/1185355665.db2.gz XRZVGRWTWZJIIQ-AATRIKPKSA-N 0 3 323.440 3.211 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC/C=C/CNCc1ccc(C)c(F)c1 ZINC001497658338 1185371878 /nfs/dbraw/zinc/37/18/78/1185371878.db2.gz NFHXKTSWLBJJLB-VOTSOKGWSA-N 0 3 318.436 3.498 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001497921873 1185409936 /nfs/dbraw/zinc/40/99/36/1185409936.db2.gz JCWRHYGXPZUGKW-CQSZACIVSA-N 0 3 306.425 3.331 20 30 DGEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)CC1(C)CCCC1 ZINC001498039271 1185428197 /nfs/dbraw/zinc/42/81/97/1185428197.db2.gz SFDRJKOZGQQSRR-KRWDZBQOSA-N 0 3 312.457 3.103 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccc(OC)cc1 ZINC001498374232 1185482230 /nfs/dbraw/zinc/48/22/30/1185482230.db2.gz DDUWRKRCDQMRNT-DNVCBOLYSA-N 0 3 318.461 3.234 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001498393042 1185486678 /nfs/dbraw/zinc/48/66/78/1185486678.db2.gz OTRKTNJTAAROQE-ZDUSSCGKSA-N 0 3 308.853 3.240 20 30 DGEDHN CC#CCCCC(=O)N(C)CCCNCc1cccc(F)c1F ZINC001498596896 1185521149 /nfs/dbraw/zinc/52/11/49/1185521149.db2.gz BSMQUOFFPAPONF-UHFFFAOYSA-N 0 3 322.399 3.097 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1cccc(Cl)n1)C1CC1 ZINC001498767231 1185542347 /nfs/dbraw/zinc/54/23/47/1185542347.db2.gz LGXUORKJBJBQRD-OAHLLOKOSA-N 0 3 321.852 3.076 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cccc(Cl)n1)C1CC1 ZINC001498767230 1185543118 /nfs/dbraw/zinc/54/31/18/1185543118.db2.gz LGXUORKJBJBQRD-HNNXBMFYSA-N 0 3 321.852 3.076 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001498966858 1185582521 /nfs/dbraw/zinc/58/25/21/1185582521.db2.gz GGFDSUJTLCMENE-PKOBYXMFSA-N 0 3 310.441 3.058 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001499365336 1185643825 /nfs/dbraw/zinc/64/38/25/1185643825.db2.gz WWWXRELITRUSPH-UHFFFAOYSA-N 0 3 315.461 3.039 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001499365249 1185644034 /nfs/dbraw/zinc/64/40/34/1185644034.db2.gz UMSNBMHKQQADCG-UHFFFAOYSA-N 0 3 304.409 3.166 20 30 DGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001499576737 1185670995 /nfs/dbraw/zinc/67/09/95/1185670995.db2.gz MXEDWIISIGOTEI-HXUWFJFHSA-N 0 3 318.505 3.397 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CC(C)(C)CC(F)F)C1 ZINC001500242894 1185762474 /nfs/dbraw/zinc/76/24/74/1185762474.db2.gz IPEHDOOKUYYDKC-MRXNPFEDSA-N 0 3 302.409 3.215 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2cccc3c2CCCC3)CC1 ZINC001500427669 1185790968 /nfs/dbraw/zinc/79/09/68/1185790968.db2.gz WMTUQDDFPMZPMM-UHFFFAOYSA-N 0 3 324.468 3.031 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC1(C)CC1)c1ccccc1CC ZINC001501021965 1185857073 /nfs/dbraw/zinc/85/70/73/1185857073.db2.gz LKKXQAXESDSQOK-SFHVURJKSA-N 0 3 312.457 3.209 20 30 DGEDHN C=C(C)CN1CCC(N(Cc2ccccn2)C(=O)CCC)CC1 ZINC001501199747 1185882404 /nfs/dbraw/zinc/88/24/04/1185882404.db2.gz BDAIIDWRCLOBEJ-UHFFFAOYSA-N 0 3 315.461 3.251 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(CF)cc2)cc1 ZINC001501681380 1185920860 /nfs/dbraw/zinc/92/08/60/1185920860.db2.gz IBOMNVMBLYVIEF-HNNXBMFYSA-N 0 3 324.399 3.370 20 30 DGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CCC1CC1)C2 ZINC001502648188 1185999926 /nfs/dbraw/zinc/99/99/26/1185999926.db2.gz HWEYSFHVXXFEED-UHFFFAOYSA-N 0 3 310.441 3.222 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2sccc2Cl)C1 ZINC001502707142 1186003059 /nfs/dbraw/zinc/00/30/59/1186003059.db2.gz XJNQZFSXOXWSBN-YPMHNXCESA-N 0 3 312.866 3.304 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2cc[nH]c21 ZINC001503479352 1186046675 /nfs/dbraw/zinc/04/66/75/1186046675.db2.gz WFPYDMRLORQDRE-LBPRGKRZSA-N 0 3 305.809 3.018 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001505521533 1186097500 /nfs/dbraw/zinc/09/75/00/1186097500.db2.gz FNLPPMWISJNJIM-NRXISQOPSA-N 0 3 300.874 3.296 20 30 DGEDHN CCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001505562752 1186104677 /nfs/dbraw/zinc/10/46/77/1186104677.db2.gz SLGMVXBOZIQBBD-CABCVRRESA-N 0 3 320.864 3.365 20 30 DGEDHN CCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001505562756 1186104684 /nfs/dbraw/zinc/10/46/84/1186104684.db2.gz SLGMVXBOZIQBBD-HUUCEWRRSA-N 0 3 320.864 3.365 20 30 DGEDHN C[C@@H](NC(=O)C1=CCCCCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001505592055 1186109543 /nfs/dbraw/zinc/10/95/43/1186109543.db2.gz RCDJEYYJBLVZEE-ZWKOTPCHSA-N 0 3 324.468 3.411 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cccc(Cl)c1F ZINC001505594937 1186109866 /nfs/dbraw/zinc/10/98/66/1186109866.db2.gz LFCHASGIDRGRTC-STQMWFEESA-N 0 3 324.827 3.265 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001505615035 1186114537 /nfs/dbraw/zinc/11/45/37/1186114537.db2.gz UFXWNSVQJBURRI-GHMZBOCLSA-N 0 3 307.265 3.391 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001505836192 1186146731 /nfs/dbraw/zinc/14/67/31/1186146731.db2.gz ACBQOKOCOTYFJN-OCCSQVGLSA-N 0 3 300.874 3.249 20 30 DGEDHN C[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001505946715 1186168680 /nfs/dbraw/zinc/16/86/80/1186168680.db2.gz TUOQBZKSDFPUPK-LSDHHAIUSA-N 0 3 315.461 3.177 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1coc2cc(C)c(C)cc21 ZINC001505969320 1186172085 /nfs/dbraw/zinc/17/20/85/1186172085.db2.gz MHUXKEAPMRYXDT-AWEZNQCLSA-N 0 3 300.402 3.286 20 30 DGEDHN CCCC[C@H](CNCc1cc(C)ccc1F)NC(=O)[C@H](C)C#N ZINC001506538783 1186243208 /nfs/dbraw/zinc/24/32/08/1186243208.db2.gz FZJANMUAQTUTGX-GDBMZVCRSA-N 0 3 319.424 3.058 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(CCc2ccccc2)C1 ZINC001506648783 1186268403 /nfs/dbraw/zinc/26/84/03/1186268403.db2.gz GGXYRWSVNGKSGA-OXQOHEQNSA-N 0 3 314.473 3.268 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCOCCCC)CC1(C)C ZINC001506744924 1186283259 /nfs/dbraw/zinc/28/32/59/1186283259.db2.gz RLYLJYFATANZRD-MRXNPFEDSA-N 0 3 324.509 3.232 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001506850920 1186294723 /nfs/dbraw/zinc/29/47/23/1186294723.db2.gz CEBVWRRDNZDVDG-RRFJBIMHSA-N 0 3 310.869 3.168 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001506869596 1186301246 /nfs/dbraw/zinc/30/12/46/1186301246.db2.gz ZZAKXFQQHIWWSH-ACZWYYKOSA-N 0 3 318.505 3.108 20 30 DGEDHN C/C=C(/C)C(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001506919658 1186312146 /nfs/dbraw/zinc/31/21/46/1186312146.db2.gz ZABHHHJZBWKDIN-HNFXJGKRSA-N 0 3 317.408 3.038 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc(F)c1F ZINC001506936019 1186317635 /nfs/dbraw/zinc/31/76/35/1186317635.db2.gz HBBTZIZLTXZTEZ-LLVKDONJSA-N 0 3 316.779 3.205 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC001506936431 1186318138 /nfs/dbraw/zinc/31/81/38/1186318138.db2.gz KVZGTJOCNQHNLD-LBPRGKRZSA-N 0 3 310.825 3.398 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(C(C)C)no1 ZINC001506940055 1186319183 /nfs/dbraw/zinc/31/91/83/1186319183.db2.gz GKPQRRJYNQXZSB-GFCCVEGCSA-N 0 3 313.829 3.039 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1occc1-c1ccccc1 ZINC001507098251 1186359203 /nfs/dbraw/zinc/35/92/03/1186359203.db2.gz LJXDADUYVHBURD-HNNXBMFYSA-N 0 3 310.397 3.020 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(-c2ccccc2)o1 ZINC001507125433 1186366504 /nfs/dbraw/zinc/36/65/04/1186366504.db2.gz QXUYECDLDGQYMH-HNNXBMFYSA-N 0 3 310.397 3.020 20 30 DGEDHN C=CCOCCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC001507372949 1186406736 /nfs/dbraw/zinc/40/67/36/1186406736.db2.gz MTBVHCZYBIHTAM-WMZOPIPTSA-N 0 3 320.477 3.049 20 30 DGEDHN Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C#CC3CC3)[C@H]2C)c1 ZINC001507376482 1186409333 /nfs/dbraw/zinc/40/93/33/1186409333.db2.gz KMFLFWYETWGQTQ-XLIONFOSSA-N 0 3 324.468 3.186 20 30 DGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2nccs2)[C@H]1C ZINC001507383062 1186410002 /nfs/dbraw/zinc/41/00/02/1186410002.db2.gz SJCKCXIWEJAKBB-HUUCEWRRSA-N 0 3 321.490 3.472 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](NCc2cnc(C)s2)C(C)(C)C1 ZINC001507445019 1186431759 /nfs/dbraw/zinc/43/17/59/1186431759.db2.gz ZQNOIZKTFKRPGY-HNNXBMFYSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](CNCc1ncccc1C)C(C)(C)C ZINC001507947889 1186461104 /nfs/dbraw/zinc/46/11/04/1186461104.db2.gz DVJXZNNXQLVHDH-QGZVFWFLSA-N 0 3 317.477 3.367 20 30 DGEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@H](C)c2ccco2)CC1 ZINC001508085620 1186479152 /nfs/dbraw/zinc/47/91/52/1186479152.db2.gz GMVMCVUCCFKNSG-HOTGVXAUSA-N 0 3 316.445 3.013 20 30 DGEDHN C#CCCCC(=O)NCC1=CCN(Cc2cccc(C)c2)CC1 ZINC001508204591 1186489102 /nfs/dbraw/zinc/48/91/02/1186489102.db2.gz ZOWPHILGMIPMAN-UHFFFAOYSA-N 0 3 310.441 3.047 20 30 DGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H]2CC=CCC2)c1 ZINC001514948478 1186738554 /nfs/dbraw/zinc/73/85/54/1186738554.db2.gz TYOMRWGXQZPHMK-WBVHZDCISA-N 0 3 310.397 3.067 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)C1CC(OCc2ccccc2)C1 ZINC001517064072 1186800961 /nfs/dbraw/zinc/80/09/61/1186800961.db2.gz GKEZSNZBZJVYNM-OFLPRAFFSA-N 0 3 323.396 3.075 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001520035651 1186911813 /nfs/dbraw/zinc/91/18/13/1186911813.db2.gz FGVMGIWVOMCZMI-XJKSGUPXSA-N 0 3 313.376 3.487 20 30 DGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001520036411 1186912796 /nfs/dbraw/zinc/91/27/96/1186912796.db2.gz MHTJUYWGPBUEKJ-YNEHKIRRSA-N 0 3 317.751 3.193 20 30 DGEDHN Cc1cccc(CN2CC[C@H](Nc3c(C#N)cccc3C#N)C2)c1 ZINC001612671876 1193459130 /nfs/dbraw/zinc/45/91/30/1193459130.db2.gz KAOYBOPYNGVLEH-IBGZPJMESA-N 0 3 316.408 3.425 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001521228045 1187005724 /nfs/dbraw/zinc/00/57/24/1187005724.db2.gz XALQHVXVXYSFBM-WBVHZDCISA-N 0 3 300.446 3.225 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001521228043 1187006118 /nfs/dbraw/zinc/00/61/18/1187006118.db2.gz XALQHVXVXYSFBM-DOTOQJQBSA-N 0 3 300.446 3.225 20 30 DGEDHN Cn1ccnc1C(C#N)C(=O)CCCCCc1cccs1 ZINC001524265801 1187229932 /nfs/dbraw/zinc/22/99/32/1187229932.db2.gz FYUVCZWJWLICSA-AWEZNQCLSA-N 0 3 301.415 3.461 20 30 DGEDHN N#CC(C(=O)c1ccnn1C1CCC1)c1cnc2ccccc2n1 ZINC001525468072 1187316275 /nfs/dbraw/zinc/31/62/75/1187316275.db2.gz DXIVSEIXZDZKPK-CYBMUJFWSA-N 0 3 317.352 3.041 20 30 DGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC001526595418 1187377499 /nfs/dbraw/zinc/37/74/99/1187377499.db2.gz ZPAVABKRMIYTFG-CYBMUJFWSA-N 0 3 321.302 3.341 20 30 DGEDHN C=CCN1CC[C@H](N(CCc2ccccc2F)[C@H](C)CC)C1=O ZINC001615323932 1193520534 /nfs/dbraw/zinc/52/05/34/1193520534.db2.gz YIXQZPNSERKYHS-QAPCUYQASA-N 0 3 318.436 3.256 20 30 DGEDHN C=C/C=C\CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001615397353 1193522020 /nfs/dbraw/zinc/52/20/20/1193522020.db2.gz GSGZVZYBYCEVSA-ARJAWSKDSA-N 0 3 318.424 3.361 20 30 DGEDHN C#CCCN1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001615988614 1193531281 /nfs/dbraw/zinc/53/12/81/1193531281.db2.gz JMXVUHSMSQNKIO-UHFFFAOYSA-N 0 3 306.450 3.265 20 30 DGEDHN C=CC(C)(C)CC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC001537872726 1188104675 /nfs/dbraw/zinc/10/46/75/1188104675.db2.gz UQAVJJXMGIGGMF-UHFFFAOYSA-N 0 3 315.461 3.369 20 30 DGEDHN C=CCSc1ccccc1C(=O)NCCN1CCC(C)(C)C1 ZINC001539537169 1188194177 /nfs/dbraw/zinc/19/41/77/1188194177.db2.gz BIHBOODLVHTKQH-UHFFFAOYSA-N 0 3 318.486 3.426 20 30 DGEDHN C#Cc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1 ZINC001544204250 1188382069 /nfs/dbraw/zinc/38/20/69/1188382069.db2.gz IWPPRVXILGNNOT-UHFFFAOYSA-N 0 3 318.420 3.411 20 30 DGEDHN C=CC(C)(C)CC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC001544480534 1188395335 /nfs/dbraw/zinc/39/53/35/1188395335.db2.gz ZUHBPFLBNKNYEP-INIZCTEOSA-N 0 3 300.446 3.498 20 30 DGEDHN CC(C)C#CC(=O)NCCCN(C)Cc1ccc(F)c(Cl)c1 ZINC001566452192 1188450966 /nfs/dbraw/zinc/45/09/66/1188450966.db2.gz XCUYNCOYQRMGMP-UHFFFAOYSA-N 0 3 324.827 3.077 20 30 DGEDHN C=C[C@H](C)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001656887184 1196079676 /nfs/dbraw/zinc/07/96/76/1196079676.db2.gz RFQAICSQTIMVSD-NSHDSACASA-N 0 3 306.207 3.299 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001617547619 1193572528 /nfs/dbraw/zinc/57/25/28/1193572528.db2.gz YBEXNIDSGRRARF-OAHLLOKOSA-N 0 3 300.421 3.455 20 30 DGEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)C/C=C/Cl)C2)C1 ZINC001566743143 1188966657 /nfs/dbraw/zinc/96/66/57/1188966657.db2.gz JKNUBFCCDYYDPF-ZKKXHLJNSA-N 0 3 310.869 3.266 20 30 DGEDHN C=CCC1(C(=O)NC[C@H]2C[C@@H](NCC(=C)Cl)C2)CCCC1 ZINC001565857348 1188981174 /nfs/dbraw/zinc/98/11/74/1188981174.db2.gz DFXFBHSFRMBNJV-GASCZTMLSA-N 0 3 310.869 3.360 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CC(C)(F)F ZINC001565938140 1189133921 /nfs/dbraw/zinc/13/39/21/1189133921.db2.gz FVKZYNVVXPKMRT-WCQYABFASA-N 0 3 322.827 3.391 20 30 DGEDHN CCCN(CCN1CCCCC1)c1ccc([N+](=O)[O-])cc1C#N ZINC001559188085 1189179199 /nfs/dbraw/zinc/17/91/99/1189179199.db2.gz NZFJIKDDXWMHKX-UHFFFAOYSA-N 0 3 316.405 3.169 20 30 DGEDHN CC(C)C[C@H]1CN(C)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC001560168540 1189286306 /nfs/dbraw/zinc/28/63/06/1189286306.db2.gz OIQXNONVKYLUOR-KRWDZBQOSA-N 0 3 305.853 3.374 20 30 DGEDHN C=CCCCN(CC)CC(=O)N(CC(C)C)CC(F)(F)F ZINC001560204522 1189290707 /nfs/dbraw/zinc/29/07/07/1189290707.db2.gz OJGOZTQEBLVUIU-UHFFFAOYSA-N 0 3 308.388 3.321 20 30 DGEDHN COc1cc(C#N)ccc1CN1CCCC[C@@]12CCCOC2 ZINC001560238653 1189297500 /nfs/dbraw/zinc/29/75/00/1189297500.db2.gz UINKWGXYNUMVIP-SFHVURJKSA-N 0 3 300.402 3.102 20 30 DGEDHN C=CC[C@@H](C)NCc1ccc(OC)c(O)c1Br ZINC001560337235 1189313132 /nfs/dbraw/zinc/31/31/32/1189313132.db2.gz YLFXKGQTYANCQD-SECBINFHSA-N 0 3 300.196 3.218 20 30 DGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)C(C)(C)O ZINC001560472359 1189331319 /nfs/dbraw/zinc/33/13/19/1189331319.db2.gz YKYLDVSGHYVCBJ-UHFFFAOYSA-N 0 3 309.837 3.239 20 30 DGEDHN O[C@@H]1CCCN(CC#Cc2ccccc2)[C@H]1CCc1ccccc1 ZINC001561016932 1189421414 /nfs/dbraw/zinc/42/14/14/1189421414.db2.gz LBGVLBZCXBAISB-FCHUYYIVSA-N 0 3 319.448 3.496 20 30 DGEDHN O[C@H]1CCCN(CC#Cc2ccccc2)[C@H]1CCc1ccccc1 ZINC001561016934 1189421605 /nfs/dbraw/zinc/42/16/05/1189421605.db2.gz LBGVLBZCXBAISB-VXKWHMMOSA-N 0 3 319.448 3.496 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccco1 ZINC001565504071 1189654239 /nfs/dbraw/zinc/65/42/39/1189654239.db2.gz LZYAZIOSOOLMLO-OAGGEKHMSA-N 0 3 302.418 3.025 20 30 DGEDHN C=CCN1CCC(NC(=O)c2c(C)nc3ccccc3c2C)CC1 ZINC001565628643 1189659351 /nfs/dbraw/zinc/65/93/51/1189659351.db2.gz YPDVKHFFRWLMHB-UHFFFAOYSA-N 0 3 323.440 3.232 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001565821638 1189676196 /nfs/dbraw/zinc/67/61/96/1189676196.db2.gz NOLNWSUEZCYLAC-UONOGXRCSA-N 0 3 322.399 3.177 20 30 DGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(Cl)s1 ZINC001565829018 1189680827 /nfs/dbraw/zinc/68/08/27/1189680827.db2.gz WTUIIHQVGVVFBI-LBPRGKRZSA-N 0 3 312.866 3.053 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1sccc1OC ZINC001565831889 1189681869 /nfs/dbraw/zinc/68/18/69/1189681869.db2.gz PUZFPTBJIUTQNR-KBPBESRZSA-N 0 3 322.474 3.258 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1F ZINC001565830251 1189682288 /nfs/dbraw/zinc/68/22/88/1189682288.db2.gz UDDBDTKHZKHAAF-OAHLLOKOSA-N 0 3 321.440 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001565834373 1189685105 /nfs/dbraw/zinc/68/51/05/1189685105.db2.gz ZSGRPSHTNCYWKE-HNNXBMFYSA-N 0 3 306.475 3.477 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(c2cccc(C)c2)CC1 ZINC001565836006 1189685790 /nfs/dbraw/zinc/68/57/90/1189685790.db2.gz ZAUJTGCOHDUULZ-GOSISDBHSA-N 0 3 312.457 3.135 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC001565855493 1189692552 /nfs/dbraw/zinc/69/25/52/1189692552.db2.gz SVGOYIGUILQQNY-FZNQNYSPSA-N 0 3 320.864 3.201 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H]1C[C@@H](NCC(=C)Cl)C1)c1ccccc1 ZINC001565856582 1189692840 /nfs/dbraw/zinc/69/28/40/1189692840.db2.gz NTKGGPCAAGNWFK-UAGQMJEPSA-N 0 3 318.848 3.193 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccc(C)cc1 ZINC001566121675 1189739124 /nfs/dbraw/zinc/73/91/24/1189739124.db2.gz RFCVXPGGIFVPQN-IBGZPJMESA-N 0 3 314.473 3.427 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1C ZINC001566124058 1189740980 /nfs/dbraw/zinc/74/09/80/1189740980.db2.gz FJHPHNNRHHUSIP-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C(CCC)CCC)CC(C)(C)C1 ZINC001566131914 1189744769 /nfs/dbraw/zinc/74/47/69/1189744769.db2.gz SCRZJBMUZSXQQM-KRWDZBQOSA-N 0 3 306.494 3.443 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001566493308 1189782505 /nfs/dbraw/zinc/78/25/05/1189782505.db2.gz PDYHDDJZOPLUBX-UHFFFAOYSA-N 0 3 310.397 3.022 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001566534020 1189794005 /nfs/dbraw/zinc/79/40/05/1189794005.db2.gz QPCFGVOJCRWXBZ-HIFRSBDPSA-N 0 3 310.869 3.288 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001566534023 1189794209 /nfs/dbraw/zinc/79/42/09/1189794209.db2.gz QPCFGVOJCRWXBZ-ZFWWWQNUSA-N 0 3 310.869 3.288 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001566626569 1189831662 /nfs/dbraw/zinc/83/16/62/1189831662.db2.gz QTDTUDCHAKEGDT-QGZVFWFLSA-N 0 3 320.864 3.429 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001566670989 1189850907 /nfs/dbraw/zinc/85/09/07/1189850907.db2.gz JXTAOMPPXWPAQI-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001566678632 1189857496 /nfs/dbraw/zinc/85/74/96/1189857496.db2.gz BNGSYCQURCPXHH-GFCCVEGCSA-N 0 3 313.829 3.103 20 30 DGEDHN C=CCCC(=O)NC[C@H](N[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC001566704304 1189866888 /nfs/dbraw/zinc/86/68/88/1189866888.db2.gz KVGNXWAUEQLNKN-PXAZEXFGSA-N 0 3 322.399 3.476 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001566864010 1189927897 /nfs/dbraw/zinc/92/78/97/1189927897.db2.gz TYUWPXYCXJRRLW-OWCLPIDISA-N 0 3 324.827 3.309 20 30 DGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001566923413 1189952853 /nfs/dbraw/zinc/95/28/53/1189952853.db2.gz RTZVBJBMUXXGEK-OOFWQKGWSA-N 0 3 316.420 3.386 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1cccc(C)c1 ZINC001566923947 1189953059 /nfs/dbraw/zinc/95/30/59/1189953059.db2.gz DGBMTJWUYCMZMY-LJQANCHMSA-N 0 3 314.473 3.474 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001566930530 1189960157 /nfs/dbraw/zinc/96/01/57/1189960157.db2.gz ZFSJNGWFIIKMKV-CRAIPNDOSA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ncccc2C)C1 ZINC001566958687 1189969235 /nfs/dbraw/zinc/96/92/35/1189969235.db2.gz SNBXBCWIHQAEHM-IRXDYDNUSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001567046426 1190006918 /nfs/dbraw/zinc/00/69/18/1190006918.db2.gz VTADQFWMOWPVER-STQMWFEESA-N 0 3 310.388 3.161 20 30 DGEDHN C=CCCCC(=O)NC[C@H](C)NCc1cc2ccccc2o1 ZINC001567049956 1190009342 /nfs/dbraw/zinc/00/93/42/1190009342.db2.gz SCCDRXRPMQGNGE-AWEZNQCLSA-N 0 3 300.402 3.383 20 30 DGEDHN C[C@@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C1CCCC1 ZINC001567070449 1190018753 /nfs/dbraw/zinc/01/87/53/1190018753.db2.gz XNGGRLXNHKQEEY-QWHCGFSZSA-N 0 3 319.474 3.040 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001567162977 1190048005 /nfs/dbraw/zinc/04/80/05/1190048005.db2.gz VSBMZRIYRLFHRY-FWPSRMAWSA-N 0 3 305.249 3.289 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCc2ccccc21 ZINC001567220447 1190077182 /nfs/dbraw/zinc/07/71/82/1190077182.db2.gz YMIJBOQHTMKCCY-WMLDXEAASA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cccc(Cl)c1 ZINC001567227439 1190080883 /nfs/dbraw/zinc/08/08/83/1190080883.db2.gz HBLBAGCAVSJMFD-LBPRGKRZSA-N 0 3 315.244 3.119 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001567302280 1190119982 /nfs/dbraw/zinc/11/99/82/1190119982.db2.gz WFPIISSYGYWSLN-MJGOQNOKSA-N 0 3 318.436 3.463 20 30 DGEDHN CCN(CCNC(=O)/C=C\C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001567328821 1190132906 /nfs/dbraw/zinc/13/29/06/1190132906.db2.gz KIWDWVPVILLCFV-KHPPLWFESA-N 0 3 313.445 3.099 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001567391730 1190168605 /nfs/dbraw/zinc/16/86/05/1190168605.db2.gz VQHUUNXIOQFOKH-MSOLQXFVSA-N 0 3 300.446 3.337 20 30 DGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001567413474 1190176356 /nfs/dbraw/zinc/17/63/56/1190176356.db2.gz DSIVVWZYUBTMGA-MSOLQXFVSA-N 0 3 304.478 3.054 20 30 DGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001567413476 1190177662 /nfs/dbraw/zinc/17/76/62/1190177662.db2.gz DSIVVWZYUBTMGA-ROUUACIJSA-N 0 3 304.478 3.054 20 30 DGEDHN CC/C=C(/C)C(=O)NCCN(CCC)Cc1ccc(C#N)cc1 ZINC001567423296 1190183490 /nfs/dbraw/zinc/18/34/90/1190183490.db2.gz MRSGGJOWWAAAMO-SOFYXZRVSA-N 0 3 313.445 3.243 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)c1ccccc1C ZINC001567435025 1190190956 /nfs/dbraw/zinc/19/09/56/1190190956.db2.gz YGAQTUKIXARJKH-GOSISDBHSA-N 0 3 314.473 3.340 20 30 DGEDHN C=CCN(CCNC(=O)c1ccc(C(C)(C)C)s1)C1CC1 ZINC001567455708 1190204271 /nfs/dbraw/zinc/20/42/71/1190204271.db2.gz ICPLPPAEEOYEHR-UHFFFAOYSA-N 0 3 306.475 3.426 20 30 DGEDHN CC#CCNCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001567577375 1190220922 /nfs/dbraw/zinc/22/09/22/1190220922.db2.gz PAMXAOQRGPCUAM-VQTJNVASSA-N 0 3 320.436 3.015 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCCN(Cc1cc(C)no1)C(C)C ZINC001567646469 1190235852 /nfs/dbraw/zinc/23/58/52/1190235852.db2.gz CJFUDZDNNHJASU-UHFFFAOYSA-N 0 3 321.465 3.302 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1cccc(OC)c1)c1ccccc1 ZINC001567666088 1190243320 /nfs/dbraw/zinc/24/33/20/1190243320.db2.gz RRIJJJRIAQDWMV-IBGZPJMESA-N 0 3 324.424 3.332 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2ccsc2C)C1 ZINC001567689216 1190254934 /nfs/dbraw/zinc/25/49/34/1190254934.db2.gz UDZPWLCXUQZVGF-KRWDZBQOSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001567730344 1190275576 /nfs/dbraw/zinc/27/55/76/1190275576.db2.gz ZSEVHCVSAWZGEQ-ZDUSSCGKSA-N 0 3 320.399 3.321 20 30 DGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001567924873 1190355649 /nfs/dbraw/zinc/35/56/49/1190355649.db2.gz HPEKUPAPEZNQPT-MSOLQXFVSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)Cc2ccccc2)C1 ZINC001567924778 1190355789 /nfs/dbraw/zinc/35/57/89/1190355789.db2.gz GURJQXJXYKAJKJ-SFHVURJKSA-N 0 3 314.473 3.364 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001567928342 1190358634 /nfs/dbraw/zinc/35/86/34/1190358634.db2.gz HAMVSPIZZJVKCB-ROUUACIJSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001567941658 1190367515 /nfs/dbraw/zinc/36/75/15/1190367515.db2.gz FSMTYFBGDHDXEF-IBGZPJMESA-N 0 3 314.473 3.345 20 30 DGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001567961261 1190378199 /nfs/dbraw/zinc/37/81/99/1190378199.db2.gz FLXKQDBGGRXALQ-INIZCTEOSA-N 0 3 317.408 3.038 20 30 DGEDHN CC[C@@H](CNC(=O)C1(CC)CCC1)NCC#Cc1ccccc1 ZINC001567973316 1190383037 /nfs/dbraw/zinc/38/30/37/1190383037.db2.gz DKJMNIMDPVQFQN-SFHVURJKSA-N 0 3 312.457 3.103 20 30 DGEDHN CC[C@H](CNC(=O)C(C)(C)C)NCC#Cc1ccc(Cl)cc1 ZINC001567986054 1190387878 /nfs/dbraw/zinc/38/78/78/1190387878.db2.gz WYDFEVBIEKTQMR-MRXNPFEDSA-N 0 3 320.864 3.222 20 30 DGEDHN C=C(C)CCC(=O)NC1(CNCc2oc(C)nc2C)CCCC1 ZINC001568000107 1190393495 /nfs/dbraw/zinc/39/34/95/1190393495.db2.gz GVGBXCWEGGHNIL-UHFFFAOYSA-N 0 3 319.449 3.166 20 30 DGEDHN C=CCCC(=O)N[C@@]1(CNCc2conc2C)CCCC[C@@H]1C ZINC001568037059 1190406340 /nfs/dbraw/zinc/40/63/40/1190406340.db2.gz USGIGZDFKLXCFS-KBXCAEBGSA-N 0 3 319.449 3.104 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1nc(C)sc1C ZINC001568190282 1190446907 /nfs/dbraw/zinc/44/69/07/1190446907.db2.gz GJZOBOGGUWFLKD-YVEFUNNKSA-N 0 3 323.506 3.204 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001568239084 1190459031 /nfs/dbraw/zinc/45/90/31/1190459031.db2.gz GOEKGSBIRITFIW-UHFFFAOYSA-N 0 3 315.461 3.203 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001568297986 1190478164 /nfs/dbraw/zinc/47/81/64/1190478164.db2.gz HHRMGUBWZLQOEZ-CXAGYDPISA-N 0 3 323.868 3.274 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1[nH]c(C)cc1C ZINC001568386444 1190508565 /nfs/dbraw/zinc/50/85/65/1190508565.db2.gz BEZBENVKKTUYPE-OAHLLOKOSA-N 0 3 323.868 3.358 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001568489032 1190542007 /nfs/dbraw/zinc/54/20/07/1190542007.db2.gz LJXJURNBBGJHJC-RDJZCZTQSA-N 0 3 318.461 3.302 20 30 DGEDHN C#Cc1ccc(C(=O)N(C)CCN(C)[C@@H](C)c2ccccc2)cc1 ZINC001568491127 1190544042 /nfs/dbraw/zinc/54/40/42/1190544042.db2.gz CMPZNGNYLBULAZ-KRWDZBQOSA-N 0 3 320.436 3.433 20 30 DGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001568500964 1190551280 /nfs/dbraw/zinc/55/12/80/1190551280.db2.gz BHTYUNXLZYGTCZ-NSHDSACASA-N 0 3 300.855 3.081 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Cc1ccccc1C ZINC001568554377 1190564335 /nfs/dbraw/zinc/56/43/35/1190564335.db2.gz QBLFOWDUPRPOPX-QGZVFWFLSA-N 0 3 302.462 3.140 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)CCSc1ccccc1F ZINC001568551468 1190564693 /nfs/dbraw/zinc/56/46/93/1190564693.db2.gz FTHCVDBJHNYREA-UHFFFAOYSA-N 0 3 324.465 3.274 20 30 DGEDHN C=CCCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001568585727 1190565475 /nfs/dbraw/zinc/56/54/75/1190565475.db2.gz YGCDTJJRYWTNEX-QGZVFWFLSA-N 0 3 314.473 3.412 20 30 DGEDHN C#CCCCC(=O)N[C@H](C)CCNCc1cc(F)ccc1Cl ZINC001568626186 1190570924 /nfs/dbraw/zinc/57/09/24/1190570924.db2.gz HTCJGVGBVJKWJH-CYBMUJFWSA-N 0 3 324.827 3.267 20 30 DGEDHN CC/C(C)=C/C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001569056129 1190614687 /nfs/dbraw/zinc/61/46/87/1190614687.db2.gz PTPXDMXSJVQOGS-ZQHYZAEZSA-N 0 3 318.848 3.142 20 30 DGEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2c(C)nsc2C)CCC1 ZINC001569078905 1190617413 /nfs/dbraw/zinc/61/74/13/1190617413.db2.gz HAYCCZLZWYZWEZ-LBPRGKRZSA-N 0 3 321.490 3.101 20 30 DGEDHN C=C[C@@H](CC(=O)N[C@@H](C)CNC/C=C/Cl)c1ccccc1 ZINC001569098066 1190620792 /nfs/dbraw/zinc/62/07/92/1190620792.db2.gz CLTGAHVWBVGKPQ-IDZXHDBHSA-N 0 3 306.837 3.193 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001569134033 1190635886 /nfs/dbraw/zinc/63/58/86/1190635886.db2.gz YMCVOVAONIDFGA-CQSZACIVSA-N 0 3 306.425 3.305 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001569156335 1190646476 /nfs/dbraw/zinc/64/64/76/1190646476.db2.gz XFVRLUAZSICMGA-KBPBESRZSA-N 0 3 308.853 3.141 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001569362614 1190676559 /nfs/dbraw/zinc/67/65/59/1190676559.db2.gz DRGWIJWPPJAQAD-ZIAGYGMSSA-N 0 3 322.399 3.432 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001569376208 1190682919 /nfs/dbraw/zinc/68/29/19/1190682919.db2.gz GXKCBOAOJVNPIQ-ZFWWWQNUSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001569376207 1190683565 /nfs/dbraw/zinc/68/35/65/1190683565.db2.gz GXKCBOAOJVNPIQ-UKRRQHHQSA-N 0 3 319.449 3.265 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001569381326 1190687056 /nfs/dbraw/zinc/68/70/56/1190687056.db2.gz NFSKEOIWXMFLEL-MRXNPFEDSA-N 0 3 309.413 3.005 20 30 DGEDHN C=CCCC(=O)NCC1(NCc2ccc(OC)c(Cl)c2)CC1 ZINC001569393742 1190690850 /nfs/dbraw/zinc/69/08/50/1190690850.db2.gz UZIWSVOKZSRQCR-UHFFFAOYSA-N 0 3 322.836 3.053 20 30 DGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001569420123 1190695095 /nfs/dbraw/zinc/69/50/95/1190695095.db2.gz WGRWPBMCYWNKQH-UHFFFAOYSA-N 0 3 318.436 3.475 20 30 DGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001569459552 1190702105 /nfs/dbraw/zinc/70/21/05/1190702105.db2.gz JBGRJUVUBVZCIL-HDICACEKSA-N 0 3 302.462 3.230 20 30 DGEDHN C#CCCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@@H]1C ZINC001569517141 1190712172 /nfs/dbraw/zinc/71/21/72/1190712172.db2.gz PGTHZZDOWIEYRY-HPCSDQSLSA-N 0 3 317.260 3.078 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H](C)CC)C2 ZINC001569622505 1190725232 /nfs/dbraw/zinc/72/52/32/1190725232.db2.gz QWYSYHFZIHDBEQ-HKUYNNGSSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCCCCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001569634991 1190728655 /nfs/dbraw/zinc/72/86/55/1190728655.db2.gz CIKCVIADCZRAPE-FQEVSTJZSA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001569643437 1190730485 /nfs/dbraw/zinc/73/04/85/1190730485.db2.gz YYYYHXCIBWTCFH-GOSISDBHSA-N 0 3 320.864 3.348 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2cccc(Cl)n2)C1 ZINC001569970392 1190777274 /nfs/dbraw/zinc/77/72/74/1190777274.db2.gz RCEUTBCAUOZLGS-CQSZACIVSA-N 0 3 321.852 3.029 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](CCNCc2nc(C)cs2)C1 ZINC001569984913 1190779281 /nfs/dbraw/zinc/77/92/81/1190779281.db2.gz HWJIMSPYFRBMFQ-OAHLLOKOSA-N 0 3 321.490 3.136 20 30 DGEDHN C=CCC1(C(=O)N2CC[C@@H](CCNCC(=C)Cl)C2)CCC1 ZINC001570000869 1190780335 /nfs/dbraw/zinc/78/03/35/1190780335.db2.gz VFTLLLIJRMGKNJ-OAHLLOKOSA-N 0 3 310.869 3.314 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H](C)CC ZINC001570028439 1190783322 /nfs/dbraw/zinc/78/33/22/1190783322.db2.gz VOEFKSPRAGEREN-IRXDYDNUSA-N 0 3 314.473 3.440 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC001570030412 1190784300 /nfs/dbraw/zinc/78/43/00/1190784300.db2.gz TZTNQFLPLLWSLP-LPHOPBHVSA-N 0 3 310.441 3.333 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccsc2)CCC1 ZINC001570116537 1190799173 /nfs/dbraw/zinc/79/91/73/1190799173.db2.gz CMLGVRGWNHIJNP-MRXNPFEDSA-N 0 3 306.475 3.479 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccc(C(C)C)c(Cl)c2)CCC1 ZINC001570127783 1190802439 /nfs/dbraw/zinc/80/24/39/1190802439.db2.gz SUCIXIZUPJLZCX-UHFFFAOYSA-N 0 3 318.848 3.339 20 30 DGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2c(C)noc2C)CC1 ZINC001570181048 1190809363 /nfs/dbraw/zinc/80/93/63/1190809363.db2.gz BTUSBQGISRFEPP-INIZCTEOSA-N 0 3 319.449 3.118 20 30 DGEDHN C=C(C)CCC(=O)N(C)CCCN(C)Cc1ccc(C)nc1C ZINC001570197310 1190816931 /nfs/dbraw/zinc/81/69/31/1190816931.db2.gz DCQWCJNPQOEMIF-UHFFFAOYSA-N 0 3 317.477 3.335 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001570207390 1190820236 /nfs/dbraw/zinc/82/02/36/1190820236.db2.gz OWUNXCMIJQLJKC-UHFFFAOYSA-N 0 3 306.837 3.066 20 30 DGEDHN C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc[nH]c1 ZINC001570269051 1190833930 /nfs/dbraw/zinc/83/39/30/1190833930.db2.gz NCVHCOOUFDTQDB-IBGZPJMESA-N 0 3 323.440 3.138 20 30 DGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](CC)C(C)C)C2 ZINC001570275657 1190835415 /nfs/dbraw/zinc/83/54/15/1190835415.db2.gz ZZQWRSLGDYIKFK-HKUYNNGSSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2cccc(Cl)c2F)[C@@H](C)C1 ZINC001570335343 1190840405 /nfs/dbraw/zinc/84/04/05/1190840405.db2.gz WOWGYCWBKDZCPG-WFASDCNBSA-N 0 3 324.827 3.382 20 30 DGEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001570395784 1190852398 /nfs/dbraw/zinc/85/23/98/1190852398.db2.gz QIFYXZQSKARTJU-DOTOQJQBSA-N 0 3 306.494 3.299 20 30 DGEDHN C[C@@H]1C[C@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccsc1 ZINC001570435373 1190857380 /nfs/dbraw/zinc/85/73/80/1190857380.db2.gz WHTISYRNPLTPGL-GDBMZVCRSA-N 0 3 318.486 3.267 20 30 DGEDHN C[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccsc1 ZINC001570435375 1190857873 /nfs/dbraw/zinc/85/78/73/1190857873.db2.gz WHTISYRNPLTPGL-HOCLYGCPSA-N 0 3 318.486 3.267 20 30 DGEDHN C[C@H](CNC(=O)CC1CCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001570693717 1190918670 /nfs/dbraw/zinc/91/86/70/1190918670.db2.gz QTJROQHSUISYNE-OAHLLOKOSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001570709667 1190925777 /nfs/dbraw/zinc/92/57/77/1190925777.db2.gz UCFBKZAFAGEAKJ-CYBMUJFWSA-N 0 3 306.475 3.105 20 30 DGEDHN CCC(C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001570751685 1190943971 /nfs/dbraw/zinc/94/39/71/1190943971.db2.gz MSJWWSPSBNUIHS-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=CCCCCCN1C[C@H](NC(=O)C(=O)C(C)(C)C)C(C)(C)C1 ZINC001570891373 1190971047 /nfs/dbraw/zinc/97/10/47/1190971047.db2.gz QBBRVNUOHWFUMS-HNNXBMFYSA-N 0 3 322.493 3.175 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@@H](CC)CCCC)C(C)(C)C1 ZINC001570899969 1190972551 /nfs/dbraw/zinc/97/25/51/1190972551.db2.gz WXUSARGTKCZHTD-IRXDYDNUSA-N 0 3 306.494 3.443 20 30 DGEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccc2F)C(C)(C)C1 ZINC001570909050 1190975129 /nfs/dbraw/zinc/97/51/29/1190975129.db2.gz BPMCJZRBZRGHMP-QGZVFWFLSA-N 0 3 318.436 3.161 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001571132499 1190983206 /nfs/dbraw/zinc/98/32/06/1190983206.db2.gz ROWHXTNGMPSOBU-YHUYYLMFSA-N 0 3 312.885 3.440 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001571132050 1190983262 /nfs/dbraw/zinc/98/32/62/1190983262.db2.gz FAJWOFHDGNVKRW-HDJSIYSDSA-N 0 3 321.852 3.056 20 30 DGEDHN C[C@H](CN(C)C(=O)[C@H](C)C(C)(C)C)NCc1ccc(C#N)s1 ZINC001571393918 1191012655 /nfs/dbraw/zinc/01/26/55/1191012655.db2.gz ZEYCJMXEUUWTSN-OLZOCXBDSA-N 0 3 321.490 3.238 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2cscc2s1 ZINC001571396522 1191013321 /nfs/dbraw/zinc/01/33/21/1191013321.db2.gz DTLPDBXJQZDOEX-NSHDSACASA-N 0 3 306.456 3.036 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001571402085 1191015346 /nfs/dbraw/zinc/01/53/46/1191015346.db2.gz PMBAGMAGXOCXMQ-MSOLQXFVSA-N 0 3 312.457 3.077 20 30 DGEDHN CCC[C@H](CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001571411555 1191018476 /nfs/dbraw/zinc/01/84/76/1191018476.db2.gz GHBOIKOVFCGLLS-KBPBESRZSA-N 0 3 321.490 3.383 20 30 DGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC(C)C)s2)C1 ZINC001571479856 1191027862 /nfs/dbraw/zinc/02/78/62/1191027862.db2.gz XKNPNLYHCJANJS-HUUCEWRRSA-N 0 3 318.486 3.163 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2scnc2CC)[C@H]1C ZINC001571518754 1191040226 /nfs/dbraw/zinc/04/02/26/1191040226.db2.gz IXNWYOPNBWULAY-UKRRQHHQSA-N 0 3 321.490 3.254 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2scnc2CC)[C@@H]1C ZINC001571518752 1191040846 /nfs/dbraw/zinc/04/08/46/1191040846.db2.gz IXNWYOPNBWULAY-DZGCQCFKSA-N 0 3 321.490 3.254 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccccc2F)[C@H]1C ZINC001571526008 1191043587 /nfs/dbraw/zinc/04/35/87/1191043587.db2.gz ZQQQQSHFPHBYEU-CRAIPNDOSA-N 0 3 318.436 3.304 20 30 DGEDHN C=C(Cl)CN[C@@H](CCNC(=O)/C(C)=C/C)Cc1ccccc1 ZINC001571526358 1191044140 /nfs/dbraw/zinc/04/41/40/1191044140.db2.gz FTPWEVFBPLNZGK-MYRMFFISSA-N 0 3 320.864 3.412 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)CC2(C)CCCCC2)CC1 ZINC001571644451 1191073075 /nfs/dbraw/zinc/07/30/75/1191073075.db2.gz RCOVOXZYPBLSPX-MRXNPFEDSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CCN(Cc2ncccc2C)CC1 ZINC001571647791 1191074331 /nfs/dbraw/zinc/07/43/31/1191074331.db2.gz UAGZUBPYEDPBFR-INIZCTEOSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC001571651230 1191075626 /nfs/dbraw/zinc/07/56/26/1191075626.db2.gz POMCDVVDQRLFSZ-ROUUACIJSA-N 0 3 324.468 3.196 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccsc2)C1 ZINC001571658057 1191077435 /nfs/dbraw/zinc/07/74/35/1191077435.db2.gz HYJLDMWZSUFQFM-UHFFFAOYSA-N 0 3 312.866 3.012 20 30 DGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)CC(C)C)C1 ZINC001571664490 1191079752 /nfs/dbraw/zinc/07/97/52/1191079752.db2.gz JXENPVXQQFUKOX-UHFFFAOYSA-N 0 3 300.874 3.390 20 30 DGEDHN C#C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC001574505117 1191445381 /nfs/dbraw/zinc/44/53/81/1191445381.db2.gz PSYKGIMPNSXMNA-DLBZAZTESA-N 0 3 312.800 3.221 20 30 DGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC001574850098 1191453739 /nfs/dbraw/zinc/45/37/39/1191453739.db2.gz TWHXTUKKVYAFKQ-INIZCTEOSA-N 0 3 318.804 3.278 20 30 DGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC001574857375 1191454421 /nfs/dbraw/zinc/45/44/21/1191454421.db2.gz RCIZWXDQTWTJRH-OAHLLOKOSA-N 0 3 317.776 3.282 20 30 DGEDHN C=CCCCCCN(C)C(=O)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001574907425 1191457783 /nfs/dbraw/zinc/45/77/83/1191457783.db2.gz LTINUKRGCQJARZ-AWEZNQCLSA-N 0 3 317.437 3.111 20 30 DGEDHN C=CCCC[C@H](N)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC001574903941 1191457920 /nfs/dbraw/zinc/45/79/20/1191457920.db2.gz YCSGTFZRBPQUJH-KRWDZBQOSA-N 0 3 300.446 3.250 20 30 DGEDHN CC#CC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001574961933 1191459914 /nfs/dbraw/zinc/45/99/14/1191459914.db2.gz BKFLLWXPPXSCHI-LSDHHAIUSA-N 0 3 324.346 3.110 20 30 DGEDHN CC#CC[C@@H](N)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC001574971911 1191460699 /nfs/dbraw/zinc/46/06/99/1191460699.db2.gz JJZYBKOLXJXRPG-NVXWUHKLSA-N 0 3 312.413 3.295 20 30 DGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H]1NCc2ccccc21 ZINC001575052001 1191464350 /nfs/dbraw/zinc/46/43/50/1191464350.db2.gz VQMOSKIHIMAOFL-CXAGYDPISA-N 0 3 321.380 3.151 20 30 DGEDHN C[C@@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H]1CNCCO1 ZINC001576252171 1191550415 /nfs/dbraw/zinc/55/04/15/1191550415.db2.gz PTYZHVAOEOBJFL-AUUYWEPGSA-N 0 3 323.396 3.139 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC001618813649 1193753285 /nfs/dbraw/zinc/75/32/85/1193753285.db2.gz LHPJRPAJHWPBMW-GFCCVEGCSA-N 0 3 314.882 3.471 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](SC)c1ccccc1 ZINC001618813391 1193752920 /nfs/dbraw/zinc/75/29/20/1193752920.db2.gz GQHBTELHCAWJRC-MRXNPFEDSA-N 0 3 306.475 3.057 20 30 DGEDHN C=CCCCCN1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC001620552876 1193778571 /nfs/dbraw/zinc/77/85/71/1193778571.db2.gz ZKFZWXQTLJEFGQ-UHFFFAOYSA-N 0 3 303.402 3.196 20 30 DGEDHN COC(=O)C[C@H](NCC#Cc1ccc(Cl)cc1)C(C)(C)C ZINC001620613948 1193783861 /nfs/dbraw/zinc/78/38/61/1193783861.db2.gz VPWMWROMYJAQRH-HNNXBMFYSA-N 0 3 307.821 3.259 20 30 DGEDHN C#Cc1ccc(CNCc2cccc(Cn3ccnc3)c2)cc1 ZINC001620714773 1193794669 /nfs/dbraw/zinc/79/46/69/1193794669.db2.gz NUSAGUBYAVMRAX-UHFFFAOYSA-N 0 3 301.393 3.203 20 30 DGEDHN C#CCN(C(=O)/C=C\C1CCCCCC1)C1CCN(C)CC1 ZINC001626637038 1194086341 /nfs/dbraw/zinc/08/63/41/1194086341.db2.gz DWKYURATOPFYPE-KHPPLWFESA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1c(F)cccc1F ZINC001626751176 1194094079 /nfs/dbraw/zinc/09/40/79/1194094079.db2.gz WTBTXDJGSDZQEW-CYBMUJFWSA-N 0 3 310.388 3.035 20 30 DGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC001626879148 1194099870 /nfs/dbraw/zinc/09/98/70/1194099870.db2.gz WCTFQGIOOLYHCV-UHFFFAOYSA-N 0 3 306.425 3.318 20 30 DGEDHN C#C[C@H](NC(=O)[C@H]1CCCCN1CCC)c1ccc(Cl)cc1 ZINC001629256656 1194223135 /nfs/dbraw/zinc/22/31/35/1194223135.db2.gz NWZHPTWGFSFXDT-DLBZAZTESA-N 0 3 318.848 3.395 20 30 DGEDHN C=CCCCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001634475126 1194496304 /nfs/dbraw/zinc/49/63/04/1194496304.db2.gz XFIUXBNROOVIRY-LJQANCHMSA-N 0 3 315.461 3.307 20 30 DGEDHN C=C(CN(C)C)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001634547470 1194501237 /nfs/dbraw/zinc/50/12/37/1194501237.db2.gz OQUGHKSQZLTKMF-UHFFFAOYSA-N 0 3 320.389 3.057 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001635035972 1194529615 /nfs/dbraw/zinc/52/96/15/1194529615.db2.gz LPYHRORFMGEVLT-NJAFHUGGSA-N 0 3 319.493 3.437 20 30 DGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2ccccc2nc1C ZINC001635758021 1194569968 /nfs/dbraw/zinc/56/99/68/1194569968.db2.gz VATHZWIPVKKIRU-UHFFFAOYSA-N 0 3 311.429 3.123 20 30 DGEDHN C=CCC[C@@H](C(=O)N[C@H]1CN(C)CC1(C)C)c1ccccc1 ZINC001639138379 1194752409 /nfs/dbraw/zinc/75/24/09/1194752409.db2.gz AFGPYKNTCVPFOR-SJORKVTESA-N 0 3 300.446 3.193 20 30 DGEDHN CC[C@H]1CN(CC)CCN1c1cc(Br)ccc1C#N ZINC001639909245 1194787475 /nfs/dbraw/zinc/78/74/75/1194787475.db2.gz URMXWQDYSOBUNW-AWEZNQCLSA-N 0 3 322.250 3.241 20 30 DGEDHN C#CCN(C)CCCNC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C ZINC001641723616 1194868210 /nfs/dbraw/zinc/86/82/10/1194868210.db2.gz BZQVRPHKTQLKLK-GKKZROPHSA-N 0 3 304.478 3.076 20 30 DGEDHN C=CCN(C)CCN(CC)Cc1cc(F)ccc1OC(F)F ZINC001642917791 1194953725 /nfs/dbraw/zinc/95/37/25/1194953725.db2.gz MMBGUCBCKQXSMS-UHFFFAOYSA-N 0 3 316.367 3.367 20 30 DGEDHN C[C@@H]1CCC[C@@H](CCN2CCN(c3cnccc3C#N)CC2)C1 ZINC001643257398 1195008909 /nfs/dbraw/zinc/00/89/09/1195008909.db2.gz KZNLVFDTARUAQZ-SJORKVTESA-N 0 3 312.461 3.292 20 30 DGEDHN C[C@H]1CCC(C)(C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001643397496 1195020946 /nfs/dbraw/zinc/02/09/46/1195020946.db2.gz HHSYOVCZAGHABV-NSHDSACASA-N 0 3 305.809 3.413 20 30 DGEDHN C#CCC1(NCc2cc(OC)ccc2Br)CCC1 ZINC001644620085 1195120902 /nfs/dbraw/zinc/12/09/02/1195120902.db2.gz PZHDNNYZISTMKT-UHFFFAOYSA-N 0 3 308.219 3.493 20 30 DGEDHN C#CC[C@H]1CCN(CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)C1 ZINC001644469621 1195110772 /nfs/dbraw/zinc/11/07/72/1195110772.db2.gz FLDOWLZLMJZZHA-CVEARBPZSA-N 0 3 316.420 3.080 20 30 DGEDHN C#CCN(C1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001644482703 1195112045 /nfs/dbraw/zinc/11/20/45/1195112045.db2.gz KPNMKNVZMHJLGJ-FQEVSTJZSA-N 0 3 324.468 3.446 20 30 DGEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(CC2CC=CC2)CC1 ZINC001645475048 1195187250 /nfs/dbraw/zinc/18/72/50/1195187250.db2.gz HLQJODOSZULHJY-GOSISDBHSA-N 0 3 315.848 3.488 20 30 DGEDHN C#CCN(CCCOc1ccc2c(c1)OCO2)Cc1ccccc1 ZINC001645542757 1195192710 /nfs/dbraw/zinc/19/27/10/1195192710.db2.gz CBNRHMTWMQMQBX-UHFFFAOYSA-N 0 3 323.392 3.320 20 30 DGEDHN CCCCCCCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC001645900331 1195207054 /nfs/dbraw/zinc/20/70/54/1195207054.db2.gz BROHROMNQYSXNW-SFHVURJKSA-N 0 3 302.462 3.390 20 30 DGEDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](O)c1cccc(C#N)c1 ZINC001646080633 1195213520 /nfs/dbraw/zinc/21/35/20/1195213520.db2.gz PAEWHYYRRJVTPS-RDTXWAMCSA-N 0 3 310.397 3.260 20 30 DGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C2CCCCC2)C1 ZINC001647854614 1195259087 /nfs/dbraw/zinc/25/90/87/1195259087.db2.gz OOGNAPBPEVABIW-SJLPKXTDSA-N 0 3 319.493 3.287 20 30 DGEDHN CCC#C[C@@H](C)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC001648070291 1195275255 /nfs/dbraw/zinc/27/52/55/1195275255.db2.gz QMULJGFIJHTYSN-MRXNPFEDSA-N 0 3 314.429 3.179 20 30 DGEDHN C#CC[C@H]1CCN(CCOc2ccccc2Br)C1 ZINC001648292605 1195289419 /nfs/dbraw/zinc/28/94/19/1195289419.db2.gz BOWNPDJUTCLUTN-ZDUSSCGKSA-N 0 3 308.219 3.173 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1ccc(C)s1 ZINC001649477862 1195348491 /nfs/dbraw/zinc/34/84/91/1195348491.db2.gz YLKAQRKZNBOKHP-LBPRGKRZSA-N 0 3 314.882 3.226 20 30 DGEDHN CCN1C[C@H](C)N(c2cc(Br)ccc2C#N)C[C@@H]1C ZINC001651702768 1195499226 /nfs/dbraw/zinc/49/92/26/1195499226.db2.gz NBJLRPVUSQXTNO-RYUDHWBXSA-N 0 3 322.250 3.240 20 30 DGEDHN CN1CCN(Cc2ccc(Cl)cc2C#N)C[C@@H]1C(C)(C)C ZINC001654075326 1195772423 /nfs/dbraw/zinc/77/24/23/1195772423.db2.gz NLAOLUYHGCHUNV-MRXNPFEDSA-N 0 3 305.853 3.374 20 30 DGEDHN CC(C)(C)[C@H]1CCN(CCOc2cccc(C#N)c2)CCO1 ZINC001655130167 1195879347 /nfs/dbraw/zinc/87/93/47/1195879347.db2.gz BMHXACHBVWNURH-QGZVFWFLSA-N 0 3 302.418 3.074 20 30 DGEDHN CC(C)(C)[C@@H]1CCN(CCOc2cccc(C#N)c2)CCO1 ZINC001655130166 1195880055 /nfs/dbraw/zinc/88/00/55/1195880055.db2.gz BMHXACHBVWNURH-KRWDZBQOSA-N 0 3 302.418 3.074 20 30 DGEDHN O[C@H](c1ccccc1)[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC001655275072 1195898289 /nfs/dbraw/zinc/89/82/89/1195898289.db2.gz JRGFBPPWUGBKPM-WOJBJXKFSA-N 0 3 309.384 3.375 20 30 DGEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(C(C)C)C2)cc1Cl ZINC001655675431 1195948028 /nfs/dbraw/zinc/94/80/28/1195948028.db2.gz QNUPWIXYSZPYFT-AWEZNQCLSA-N 0 3 322.836 3.004 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@H](CC)c2ccccc2)CCC1 ZINC001673226464 1195992341 /nfs/dbraw/zinc/99/23/41/1195992341.db2.gz NJACJKIRMOMFMV-KRWDZBQOSA-N 0 3 312.457 3.222 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccc(C)cc1 ZINC001656078360 1195995581 /nfs/dbraw/zinc/99/55/81/1195995581.db2.gz ZLZAPGZXODFKGA-GOSISDBHSA-N 0 3 300.446 3.036 20 30 DGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(C)cc1Cl ZINC001656078149 1195996106 /nfs/dbraw/zinc/99/61/06/1195996106.db2.gz VJDKURGNKZSHQY-MRXNPFEDSA-N 0 3 320.864 3.300 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001656109180 1196003564 /nfs/dbraw/zinc/00/35/64/1196003564.db2.gz GJEHPWDPBCGXAY-CRAIPNDOSA-N 0 3 318.436 3.428 20 30 DGEDHN C=C[C@@H](CC(=O)N(C)C[C@H]1CCN1CCCF)c1ccccc1 ZINC001656109443 1196004712 /nfs/dbraw/zinc/00/47/12/1196004712.db2.gz KUEWTQNDPAJTGM-FUHWJXTLSA-N 0 3 318.436 3.239 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001656150840 1196010658 /nfs/dbraw/zinc/01/06/58/1196010658.db2.gz WTUMBSLJNJQWPR-JNSHFYNHSA-N 0 3 322.399 3.161 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001656241378 1196022326 /nfs/dbraw/zinc/02/23/26/1196022326.db2.gz RIXQPHRSSZYDFJ-JQFCIGGWSA-N 0 3 320.864 3.102 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001656669889 1196060101 /nfs/dbraw/zinc/06/01/01/1196060101.db2.gz QWPOKSZFMLKHKY-QZTJIDSGSA-N 0 3 318.436 3.474 20 30 DGEDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(C)c(C#N)c2)o1 ZINC001656946641 1196085763 /nfs/dbraw/zinc/08/57/63/1196085763.db2.gz QJKNLSPNYTUUNN-UHFFFAOYSA-N 0 3 306.369 3.448 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2F)[C@H]1C ZINC001657009929 1196092912 /nfs/dbraw/zinc/09/29/12/1196092912.db2.gz FYOSCKMPMHSEBU-VBQJREDUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC001657067348 1196099783 /nfs/dbraw/zinc/09/97/83/1196099783.db2.gz RCRZBYBUGJLXKL-SFHVURJKSA-N 0 3 318.436 3.257 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(CC)cc1 ZINC001657079465 1196101926 /nfs/dbraw/zinc/10/19/26/1196101926.db2.gz FMAMPSDOHNCRQO-SFHVURJKSA-N 0 3 300.446 3.362 20 30 DGEDHN N#Cc1ccc(CNCc2ccc3nccnc3c2)cc1Cl ZINC001657240390 1196121568 /nfs/dbraw/zinc/12/15/68/1196121568.db2.gz GKAVXTDTRYBEFF-UHFFFAOYSA-N 0 3 308.772 3.445 20 30 DGEDHN C=CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC001657236875 1196122085 /nfs/dbraw/zinc/12/20/85/1196122085.db2.gz HGUBLOVLQQWKTL-FQEVSTJZSA-N 0 3 323.440 3.325 20 30 DGEDHN C=CCOCCNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC001657727559 1196172535 /nfs/dbraw/zinc/17/25/35/1196172535.db2.gz YJETVXXCDCIVPO-UHFFFAOYSA-N 0 3 302.349 3.305 20 30 DGEDHN CN(CCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001657813869 1196180563 /nfs/dbraw/zinc/18/05/63/1196180563.db2.gz DZFZEJZSXMSBPZ-UHFFFAOYSA-N 0 3 308.809 3.375 20 30 DGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)ccnc1Cl ZINC001657938957 1196195501 /nfs/dbraw/zinc/19/55/01/1196195501.db2.gz PNJADAUXMYRDFK-GXFFZTMASA-N 0 3 301.217 3.459 20 30 DGEDHN C#Cc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC001658346542 1196244538 /nfs/dbraw/zinc/24/45/38/1196244538.db2.gz BDRAPKQTLUALNJ-UHFFFAOYSA-N 0 3 301.773 3.325 20 30 DGEDHN C[C@@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001658362048 1196247221 /nfs/dbraw/zinc/24/72/21/1196247221.db2.gz JWSJMGMMQHLFRD-AWEZNQCLSA-N 0 3 309.454 3.258 20 30 DGEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@H](Oc2ccccc2)C1 ZINC001658431375 1196255224 /nfs/dbraw/zinc/25/52/24/1196255224.db2.gz BUJKTMMBWLHXGY-IBGZPJMESA-N 0 3 321.424 3.278 20 30 DGEDHN CNc1ccc(C)cc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC001658507177 1196266821 /nfs/dbraw/zinc/26/68/21/1196266821.db2.gz WKYKPGRIERCASP-LJQANCHMSA-N 0 3 309.413 3.074 20 30 DGEDHN C[C@H](Cc1ccc2c(c1)CCCC2)NCC1(C#N)CCOCC1 ZINC001659086313 1196342880 /nfs/dbraw/zinc/34/28/80/1196342880.db2.gz WYDHWTMWIKWDFM-MRXNPFEDSA-N 0 3 312.457 3.406 20 30 DGEDHN Cc1cc(CN2CCN(C)[C@H](Cc3ccccc3)C2)ccc1C#N ZINC001659161880 1196354065 /nfs/dbraw/zinc/35/40/65/1196354065.db2.gz PXMYLTNVFFQIGW-OAQYLSRUSA-N 0 3 319.452 3.225 20 30 DGEDHN C=CC[C@H]1CCCN(CC(=O)N[C@@H](C)Cc2ccccc2C)C1 ZINC001659352305 1196374601 /nfs/dbraw/zinc/37/46/01/1196374601.db2.gz JVEQOZSIRMJXDF-ROUUACIJSA-N 0 3 314.473 3.330 20 30 DGEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](C4CCC4)C3)C2=O)cc1 ZINC001659493855 1196389102 /nfs/dbraw/zinc/38/91/02/1196389102.db2.gz BKBVFBOEFFPPRC-IEBWSBKVSA-N 0 3 323.440 3.176 20 30 DGEDHN CCOC(=O)[C@]12CCC[C@@H]1C[C@@H](NCC1(C#N)CCCC1)C2 ZINC001659574408 1196396798 /nfs/dbraw/zinc/39/67/98/1196396798.db2.gz SPCUBYHVOJGAQC-RKVPGOIHSA-N 0 3 304.434 3.172 20 30 DGEDHN C#CCC1(N[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CCC1 ZINC001660283728 1196465915 /nfs/dbraw/zinc/46/59/15/1196465915.db2.gz IHBGVMJIQMMBSA-HZPDHXFCSA-N 0 3 310.441 3.278 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001660426241 1196482205 /nfs/dbraw/zinc/48/22/05/1196482205.db2.gz NGOHIFPDTLZKMX-HUUCEWRRSA-N 0 3 323.868 3.059 20 30 DGEDHN CC(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001660426153 1196481763 /nfs/dbraw/zinc/48/17/63/1196481763.db2.gz MOLZIDALDLHBFN-KSSFIOAISA-N 0 3 318.848 3.071 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001660439492 1196483912 /nfs/dbraw/zinc/48/39/12/1196483912.db2.gz IJAIHBRNRUNPTN-HUUCEWRRSA-N 0 3 310.869 3.148 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCCC#CC ZINC001660447135 1196485305 /nfs/dbraw/zinc/48/53/05/1196485305.db2.gz NHCZRLCSQYJWIK-CVEARBPZSA-N 0 3 310.869 3.292 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001660571397 1196498475 /nfs/dbraw/zinc/49/84/75/1196498475.db2.gz HFOIEVANBFJYJD-RGEXLXHISA-N 0 3 324.468 3.389 20 30 DGEDHN N#CC1(CNCCCc2c(F)cccc2Cl)CCOCC1 ZINC001660887101 1196539093 /nfs/dbraw/zinc/53/90/93/1196539093.db2.gz SLVGVVBHLMKFDI-UHFFFAOYSA-N 0 3 310.800 3.322 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)OCC2CC2)CC1 ZINC001661083001 1196563450 /nfs/dbraw/zinc/56/34/50/1196563450.db2.gz IVCWPJUYEMLINC-MRXNPFEDSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001661239700 1196586974 /nfs/dbraw/zinc/58/69/74/1196586974.db2.gz JBTKBPGPVOBENG-CWRNSKLLSA-N 0 3 304.459 3.392 20 30 DGEDHN C[C@H]1CCC[C@H]1CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661426623 1196603939 /nfs/dbraw/zinc/60/39/39/1196603939.db2.gz GFHKKXOVPGNASE-LEAZDLGRSA-N 0 3 324.468 3.101 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001661659066 1196629391 /nfs/dbraw/zinc/62/93/91/1196629391.db2.gz VKFUJQXNRFEIJB-ZACQAIPSSA-N 0 3 320.864 3.245 20 30 DGEDHN CC#CCN1CCC[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC001661740273 1196639427 /nfs/dbraw/zinc/63/94/27/1196639427.db2.gz YDCPJFCORDIPKC-SFHVURJKSA-N 0 3 304.478 3.198 20 30 DGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001661890729 1196659093 /nfs/dbraw/zinc/65/90/93/1196659093.db2.gz KKPGEQQAJQHSAN-SJORKVTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC1CCC(NCc2cnc(C)o2)CC1 ZINC001662126939 1196684641 /nfs/dbraw/zinc/68/46/41/1196684641.db2.gz SLDDPDOKTJGOQW-QQFBHYJXSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(C(C)C)nc1C ZINC001662304085 1196705123 /nfs/dbraw/zinc/70/51/23/1196705123.db2.gz SPJUUUHJDKRVPS-CQSZACIVSA-N 0 3 317.477 3.320 20 30 DGEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](CCC)CC1CCCCC1 ZINC001662349689 1196711376 /nfs/dbraw/zinc/71/13/76/1196711376.db2.gz FREICFWCMMJSHT-FUHWJXTLSA-N 0 3 306.494 3.491 20 30 DGEDHN C=CC[C@H](C(=O)NC[C@H](C)NC/C=C/Cl)c1ccccc1 ZINC001662420247 1196720132 /nfs/dbraw/zinc/72/01/32/1196720132.db2.gz OFHNJEJOHOXAAL-UVRXNYFOSA-N 0 3 306.837 3.193 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccnc2ccccc21 ZINC001662944778 1196775100 /nfs/dbraw/zinc/77/51/00/1196775100.db2.gz NVESUPWGTXFBOZ-CYBMUJFWSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C/C(C)=C\CC(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001662959647 1196776206 /nfs/dbraw/zinc/77/62/06/1196776206.db2.gz IZPVWTQNYOMBLI-QOBZYLRHSA-N 0 3 311.429 3.065 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1ccncc1Cl ZINC001662959395 1196776575 /nfs/dbraw/zinc/77/65/75/1196776575.db2.gz FTPOMVUNAMIXQW-CYBMUJFWSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@H]1CCCC1(F)F ZINC001662964473 1196777735 /nfs/dbraw/zinc/77/77/35/1196777735.db2.gz HPBAUJNNBXNUKY-VXGBXAGGSA-N 0 3 308.800 3.049 20 30 DGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CCCC#CC ZINC001663099436 1196792025 /nfs/dbraw/zinc/79/20/25/1196792025.db2.gz WOQPGJXGPYSCOZ-INIZCTEOSA-N 0 3 310.869 3.293 20 30 DGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CCCC#CC ZINC001663099438 1196792320 /nfs/dbraw/zinc/79/23/20/1196792320.db2.gz WOQPGJXGPYSCOZ-MRXNPFEDSA-N 0 3 310.869 3.293 20 30 DGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1ccc(CCC)cc1 ZINC001663249502 1196817598 /nfs/dbraw/zinc/81/75/98/1196817598.db2.gz KAGOYPVWUAZHMG-UHFFFAOYSA-N 0 3 302.462 3.399 20 30 DGEDHN C=C1CCC(C(=O)NCCN(C)CCc2cccs2)CC1 ZINC001663267302 1196823346 /nfs/dbraw/zinc/82/33/46/1196823346.db2.gz WKNKQJRSLRNVSI-UHFFFAOYSA-N 0 3 306.475 3.085 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2c(C)cccc2C)C1 ZINC001663271990 1196823796 /nfs/dbraw/zinc/82/37/96/1196823796.db2.gz NOEUZZOUSLQBDB-UHFFFAOYSA-N 0 3 300.446 3.208 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001663614277 1196913570 /nfs/dbraw/zinc/91/35/70/1196913570.db2.gz QUUIUVUFVXJNQP-LSDHHAIUSA-N 0 3 306.475 3.289 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663619959 1196915135 /nfs/dbraw/zinc/91/51/35/1196915135.db2.gz IVULVUARHYKHMG-QFBILLFUSA-N 0 3 318.436 3.366 20 30 DGEDHN C=CCC1(C(=O)N(C)CCNCc2cncc(C)c2)CCCC1 ZINC001664416075 1196996549 /nfs/dbraw/zinc/99/65/49/1196996549.db2.gz RGKBZZOUVASRFJ-UHFFFAOYSA-N 0 3 315.461 3.075 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)c1cccc(C)c1)c1ccccc1 ZINC001664568396 1197015692 /nfs/dbraw/zinc/01/56/92/1197015692.db2.gz UBCSWVCBOROHEP-IBGZPJMESA-N 0 3 306.409 3.079 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC1=CCCCC1)c1ccccc1 ZINC001664574771 1197016650 /nfs/dbraw/zinc/01/66/50/1197016650.db2.gz UVUKBGAVEBAQGT-IBGZPJMESA-N 0 3 310.441 3.347 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@@H]1CCCC1(F)F)c1ccccc1 ZINC001664588114 1197018082 /nfs/dbraw/zinc/01/80/82/1197018082.db2.gz OQOLJRKMGORUCL-HOTGVXAUSA-N 0 3 322.399 3.445 20 30 DGEDHN C=CCN[C@@H](CNC(=O)C[C@H](C)c1ccco1)c1ccccc1 ZINC001664599476 1197019738 /nfs/dbraw/zinc/01/97/38/1197019738.db2.gz RWRHGUOWOLZIHH-RDJZCZTQSA-N 0 3 312.413 3.406 20 30 DGEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN([C@@H](C)COC)C2)CC1 ZINC001664678899 1197033156 /nfs/dbraw/zinc/03/31/56/1197033156.db2.gz RBQIBWBFWRHNEG-WMZOPIPTSA-N 0 3 322.493 3.081 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001664685509 1197035080 /nfs/dbraw/zinc/03/50/80/1197035080.db2.gz CBYNBPSNFAHOTA-ZWKOTPCHSA-N 0 3 306.494 3.395 20 30 DGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2ccc(C)s2)C1 ZINC001664687715 1197036409 /nfs/dbraw/zinc/03/64/09/1197036409.db2.gz WWOVXUJOTXBTQY-MRXNPFEDSA-N 0 3 320.502 3.488 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)o1 ZINC001665429061 1197136224 /nfs/dbraw/zinc/13/62/24/1197136224.db2.gz PRPCWZZPRIHDTQ-AGIUHOORSA-N 0 3 324.371 3.471 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001665481686 1197141928 /nfs/dbraw/zinc/14/19/28/1197141928.db2.gz PWBBSMGNOFZAMA-WMZOPIPTSA-N 0 3 300.446 3.288 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001665509330 1197145819 /nfs/dbraw/zinc/14/58/19/1197145819.db2.gz RISABUCTRLUCJP-ZWKOTPCHSA-N 0 3 300.446 3.337 20 30 DGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001665509329 1197145862 /nfs/dbraw/zinc/14/58/62/1197145862.db2.gz RISABUCTRLUCJP-ROUUACIJSA-N 0 3 300.446 3.337 20 30 DGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001665570211 1197152817 /nfs/dbraw/zinc/15/28/17/1197152817.db2.gz XRIFBTFJMDSMMK-CYBMUJFWSA-N 0 3 310.825 3.484 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(OC)c2C)C1 ZINC001665617592 1197159385 /nfs/dbraw/zinc/15/93/85/1197159385.db2.gz RVZAMEBJXBANIB-QGZVFWFLSA-N 0 3 316.445 3.003 20 30 DGEDHN C=CCN1CC[C@H](N(C)C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001665636964 1197162739 /nfs/dbraw/zinc/16/27/39/1197162739.db2.gz MTAUZRFVTKYGJO-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(CCOCCC(C)C)C1 ZINC001665653758 1197165229 /nfs/dbraw/zinc/16/52/29/1197165229.db2.gz ULRXZIVYJGGWDC-QGZVFWFLSA-N 0 3 324.509 3.184 20 30 DGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCc2sccc2C)C1 ZINC001665738418 1197183903 /nfs/dbraw/zinc/18/39/03/1197183903.db2.gz VCAFCIWVMHJLGV-INIZCTEOSA-N 0 3 320.502 3.488 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCCc2cccs2)C1 ZINC001665742312 1197185165 /nfs/dbraw/zinc/18/51/65/1197185165.db2.gz MQKZKIMLJXHEFN-MRXNPFEDSA-N 0 3 318.486 3.017 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C\Cl)CC1 ZINC001666274677 1197247252 /nfs/dbraw/zinc/24/72/52/1197247252.db2.gz HFSHEIQDXLKKKS-WNMRZGSGSA-N 0 3 305.249 3.289 20 30 DGEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)n(C)c2C)CCCC1 ZINC001666804388 1197286758 /nfs/dbraw/zinc/28/67/58/1197286758.db2.gz FOYHNKNVRMORQT-UHFFFAOYSA-N 0 3 323.868 3.027 20 30 DGEDHN C=C(Br)CN[C@H](CNC(=O)C[C@H](C)CC)C(C)C ZINC001667454541 1197350434 /nfs/dbraw/zinc/35/04/34/1197350434.db2.gz WRBKXJCWXLXAMD-DGCLKSJQSA-N 0 3 319.287 3.062 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001667608215 1197366996 /nfs/dbraw/zinc/36/69/96/1197366996.db2.gz XIYFEWNNTUJWHV-UHFFFAOYSA-N 0 3 302.462 3.406 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC001667656755 1197375673 /nfs/dbraw/zinc/37/56/73/1197375673.db2.gz JERJYXIPGNWRCA-UHFFFAOYSA-N 0 3 313.445 3.067 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001669182903 1197443036 /nfs/dbraw/zinc/44/30/36/1197443036.db2.gz JXGHCWVLJCHFBB-KHBWCGBWSA-N 0 3 312.457 3.102 20 30 DGEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CCC=CCCC1 ZINC001669328557 1197449216 /nfs/dbraw/zinc/44/92/16/1197449216.db2.gz HVSKKAJSWJFXKB-UYAOXDASSA-N 0 3 324.468 3.269 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001669368557 1197450804 /nfs/dbraw/zinc/45/08/04/1197450804.db2.gz BDNJZTZAMJMIQX-GFCCVEGCSA-N 0 3 310.388 3.161 20 30 DGEDHN CC#CCCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001669639787 1197467316 /nfs/dbraw/zinc/46/73/16/1197467316.db2.gz YJWWTDNYQUMYQG-KBPBESRZSA-N 0 3 322.399 3.314 20 30 DGEDHN CC(C)C[C@@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669712232 1197472994 /nfs/dbraw/zinc/47/29/94/1197472994.db2.gz ZOEVUAONJDKHJA-MSOLQXFVSA-N 0 3 314.473 3.205 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1 ZINC001669816747 1197488155 /nfs/dbraw/zinc/48/81/55/1197488155.db2.gz YXUFGMTXALQMSX-YRYLYKBFSA-N 0 3 300.446 3.493 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1CNCc1cnc(C)o1 ZINC001669955137 1197511093 /nfs/dbraw/zinc/51/10/93/1197511093.db2.gz GEDYNPPIRRWISJ-WBVHZDCISA-N 0 3 319.449 3.104 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1nccc2ccccc21 ZINC001670222826 1197526778 /nfs/dbraw/zinc/52/67/78/1197526778.db2.gz BPFFHASGRHRFIR-UHFFFAOYSA-N 0 3 317.820 3.039 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001670237396 1197527672 /nfs/dbraw/zinc/52/76/72/1197527672.db2.gz PFLQVVRFNRAYEY-KRWDZBQOSA-N 0 3 323.868 3.275 20 30 DGEDHN C=CCCCC(=O)NCC1(C)CCN(Cc2ocnc2C)CC1 ZINC001671849057 1197575789 /nfs/dbraw/zinc/57/57/89/1197575789.db2.gz IHECAFMWSRKIFZ-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C\Cl)C1 ZINC001672208587 1197597531 /nfs/dbraw/zinc/59/75/31/1197597531.db2.gz FWPCTANHDRGGDR-CRFVKXMPSA-N 0 3 319.276 3.488 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cc(C)ccc1C ZINC001672400944 1197609576 /nfs/dbraw/zinc/60/95/76/1197609576.db2.gz XXJQEWKDXLVCPC-UHFFFAOYSA-N 0 3 320.436 3.169 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001672796207 1197623162 /nfs/dbraw/zinc/62/31/62/1197623162.db2.gz KFVMCROKYWSTLA-LTIDMASMSA-N 0 3 322.880 3.169 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC001672825758 1197624679 /nfs/dbraw/zinc/62/46/79/1197624679.db2.gz MBGZCFDWZGGXCZ-AWEZNQCLSA-N 0 3 324.827 3.328 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ncc(C)cc1C ZINC001672929394 1197629223 /nfs/dbraw/zinc/62/92/23/1197629223.db2.gz GXMCCDOHRXIBNW-UHFFFAOYSA-N 0 3 323.440 3.246 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)c2ccco2)cc1 ZINC001672943201 1197629947 /nfs/dbraw/zinc/62/99/47/1197629947.db2.gz JOTXTTHOYPKXAN-HZPDHXFCSA-N 0 3 324.424 3.373 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)co2)cc1 ZINC001672943053 1197629965 /nfs/dbraw/zinc/62/99/65/1197629965.db2.gz HZYDQNGWTVUMAE-HNNXBMFYSA-N 0 3 310.397 3.192 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCC(F)F)cc1 ZINC001672944291 1197630448 /nfs/dbraw/zinc/63/04/48/1197630448.db2.gz ZIJOWUDBFAMNRA-CYBMUJFWSA-N 0 3 308.372 3.022 20 30 DGEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001673013783 1197634841 /nfs/dbraw/zinc/63/48/41/1197634841.db2.gz XRTHXDUGFATLDC-HZPDHXFCSA-N 0 3 310.457 3.261 20 30 DGEDHN CC#CCN1CCC2(CN(C(=O)[C@@](C)(CC)CCC)C2)CC1 ZINC001673016816 1197634875 /nfs/dbraw/zinc/63/48/75/1197634875.db2.gz QSCSAFMUYRSTSC-SFHVURJKSA-N 0 3 304.478 3.151 20 30 DGEDHN C#CCNC1(CNC(=O)[C@@H](CC)C2CCC(C)CC2)CCC1 ZINC001673172594 1197641820 /nfs/dbraw/zinc/64/18/20/1197641820.db2.gz QFQNPKLZYYTGOX-JCYILVPMSA-N 0 3 304.478 3.101 20 30 DGEDHN C#CCNC1(CNC(=O)c2ccc(C)c3ccccc23)CCC1 ZINC001673213940 1197644322 /nfs/dbraw/zinc/64/43/22/1197644322.db2.gz CMDGKBYHWFJKKT-UHFFFAOYSA-N 0 3 306.409 3.024 20 30 DGEDHN CC#CCNC1(CNC(=O)C[C@@H](C)C2CCCCC2)CCC1 ZINC001673218372 1197644510 /nfs/dbraw/zinc/64/45/10/1197644510.db2.gz LYWPLIBIZPTEDB-MRXNPFEDSA-N 0 3 304.478 3.245 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1ccccc1CCC ZINC001673454335 1197662866 /nfs/dbraw/zinc/66/28/66/1197662866.db2.gz ITOYBTULZUBCKO-UHFFFAOYSA-N 0 3 300.446 3.056 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C(CC)CC)C2 ZINC001673645121 1197683346 /nfs/dbraw/zinc/68/33/46/1197683346.db2.gz GOXUMXLHZKSQAP-VQIMIIECSA-N 0 3 304.478 3.006 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001673645044 1197683769 /nfs/dbraw/zinc/68/37/69/1197683769.db2.gz FYDCLORORLJROC-SJLPKXTDSA-N 0 3 310.457 3.405 20 30 DGEDHN C=C1CC(C)(C(=O)NCc2ccc3c(c2)CN(CC2CC2)C3)C1 ZINC001673765225 1197692216 /nfs/dbraw/zinc/69/22/16/1197692216.db2.gz MWMAICZXMFRGTM-UHFFFAOYSA-N 0 3 310.441 3.385 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001674139422 1197737654 /nfs/dbraw/zinc/73/76/54/1197737654.db2.gz ARUUAJZMASIQDW-NVXWUHKLSA-N 0 3 315.461 3.071 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2cc(F)ccc2o1 ZINC001674486021 1197785256 /nfs/dbraw/zinc/78/52/56/1197785256.db2.gz BLHDHJUZDAUQEX-HNNXBMFYSA-N 0 3 316.376 3.294 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001674608714 1197802807 /nfs/dbraw/zinc/80/28/07/1197802807.db2.gz SDCVVDXOEDQILF-FUJMWEONSA-N 0 3 324.827 3.166 20 30 DGEDHN C[C@H](NCc1ccccc1Cl)[C@H](C)NC(=O)C#CC(C)(C)C ZINC001674668288 1197827140 /nfs/dbraw/zinc/82/71/40/1197827140.db2.gz WXPYDUULENRJBJ-KBPBESRZSA-N 0 3 320.864 3.372 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001674710446 1197841891 /nfs/dbraw/zinc/84/18/91/1197841891.db2.gz QIDGRMGLFKTQHI-GHMZBOCLSA-N 0 3 307.265 3.391 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001674714772 1197843071 /nfs/dbraw/zinc/84/30/71/1197843071.db2.gz CUTJGKGOFLGVJO-VXGBXAGGSA-N 0 3 310.388 3.160 20 30 DGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001674723567 1197848722 /nfs/dbraw/zinc/84/87/22/1197848722.db2.gz ZTRPJRNQOZFSCO-KGLIPLIRSA-N 0 3 317.408 3.036 20 30 DGEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@@H](C)NC(=O)C(C)(C)C ZINC001674759496 1197860649 /nfs/dbraw/zinc/86/06/49/1197860649.db2.gz DJKNLYCAMUEQIO-ZIAGYGMSSA-N 0 3 320.864 3.220 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1ccco1 ZINC001674819504 1197884591 /nfs/dbraw/zinc/88/45/91/1197884591.db2.gz ZRMPZWQNYVOKCQ-UHFFFAOYSA-N 0 3 312.841 3.039 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001674839860 1197887827 /nfs/dbraw/zinc/88/78/27/1197887827.db2.gz NWYWVHRMHXWUDT-RBSFLKMASA-N 0 3 312.885 3.249 20 30 DGEDHN C[C@@H](CNC(=O)/C=C/C(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001674909499 1197913441 /nfs/dbraw/zinc/91/34/41/1197913441.db2.gz ZXPNKTLNDRPCLU-NKSUMMKUSA-N 0 3 313.445 3.097 20 30 DGEDHN C=C/C(C)=C\CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001674978842 1197941714 /nfs/dbraw/zinc/94/17/14/1197941714.db2.gz ADXDHRAKLDYROG-PJVYJYFWSA-N 0 3 311.429 3.017 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)CCc1csc(C)n1 ZINC001674992366 1197952229 /nfs/dbraw/zinc/95/22/29/1197952229.db2.gz XYDWCNSPPXWRJT-SUMWQHHRSA-N 0 3 323.506 3.033 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001675263367 1198025178 /nfs/dbraw/zinc/02/51/78/1198025178.db2.gz QGUNSNQAORLDPU-DLBZAZTESA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001675269958 1198029598 /nfs/dbraw/zinc/02/95/98/1198029598.db2.gz NALDXFGMPOGNJT-RBUKOAKNSA-N 0 3 324.468 3.101 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001675284527 1198035194 /nfs/dbraw/zinc/03/51/94/1198035194.db2.gz DLCISKAPPDXPFK-HOTGVXAUSA-N 0 3 300.446 3.459 20 30 DGEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001675348907 1198049095 /nfs/dbraw/zinc/04/90/95/1198049095.db2.gz JRLZFWRVHSUDOR-HOTGVXAUSA-N 0 3 304.478 3.053 20 30 DGEDHN Cc1cccc([C@H](C)N2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)c1 ZINC001675454871 1198070870 /nfs/dbraw/zinc/07/08/70/1198070870.db2.gz SFVOSWCTJQCJIT-LPHOPBHVSA-N 0 3 324.468 3.296 20 30 DGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCC(F)F)C[C@@H]2C1 ZINC001675637025 1198098614 /nfs/dbraw/zinc/09/86/14/1198098614.db2.gz YVUZHIBFPYPQDE-XQQFMLRXSA-N 0 3 320.811 3.001 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccccc1C(C)(C)C ZINC001676365000 1198301784 /nfs/dbraw/zinc/30/17/84/1198301784.db2.gz QPVQEUYMQBQTAL-HNNXBMFYSA-N 0 3 300.446 3.058 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(Cl)c(CCC)c1 ZINC001676461455 1198326050 /nfs/dbraw/zinc/32/60/50/1198326050.db2.gz KWJUFLCVLQBFFY-AWEZNQCLSA-N 0 3 320.864 3.366 20 30 DGEDHN CCC(=CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C)CC ZINC001676639058 1198354387 /nfs/dbraw/zinc/35/43/87/1198354387.db2.gz DHLAHOZXFZODNH-XLIONFOSSA-N 0 3 324.468 3.364 20 30 DGEDHN C=CCCC(=O)N1CC[C@H](NCc2cccc(C(C)C)n2)[C@H]1C ZINC001676634259 1198354624 /nfs/dbraw/zinc/35/46/24/1198354624.db2.gz STBJOWRXIDLVKA-QAPCUYQASA-N 0 3 315.461 3.250 20 30 DGEDHN CCC(=CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C)CC ZINC001676639059 1198355196 /nfs/dbraw/zinc/35/51/96/1198355196.db2.gz DHLAHOZXFZODNH-YLJYHZDGSA-N 0 3 324.468 3.364 20 30 DGEDHN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001676867807 1198414405 /nfs/dbraw/zinc/41/44/05/1198414405.db2.gz UWOHWZIAIXDPEY-PKOBYXMFSA-N 0 3 312.457 3.349 20 30 DGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@H]1C ZINC001676895135 1198426193 /nfs/dbraw/zinc/42/61/93/1198426193.db2.gz WDVVGGWZGAYBCK-CHWSQXEVSA-N 0 3 302.409 3.213 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1nc(C)sc1C)C(C)C ZINC001677201887 1198485434 /nfs/dbraw/zinc/48/54/34/1198485434.db2.gz UWDDWPNWDDPKQL-UHFFFAOYSA-N 0 3 323.506 3.047 20 30 DGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1C)C(C)C ZINC001677215282 1198492138 /nfs/dbraw/zinc/49/21/38/1198492138.db2.gz ITPBSZPACFBYOR-RBUKOAKNSA-N 0 3 314.473 3.453 20 30 DGEDHN C#CCCN(C)CCN(C(=O)c1ccccc1Cl)C(C)C ZINC001677219515 1198493367 /nfs/dbraw/zinc/49/33/67/1198493367.db2.gz VJHPTWXUUGAELR-UHFFFAOYSA-N 0 3 306.837 3.146 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001677219483 1198493382 /nfs/dbraw/zinc/49/33/82/1198493382.db2.gz UJFBWUWWTDUVBJ-PIIMJCKOSA-N 0 3 306.494 3.251 20 30 DGEDHN C=CCCC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001677232718 1198497465 /nfs/dbraw/zinc/49/74/65/1198497465.db2.gz IWLFROIVQHDABJ-GOSISDBHSA-N 0 3 312.457 3.125 20 30 DGEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1ccccc1Cl)C(C)(C)C ZINC001677237408 1198497709 /nfs/dbraw/zinc/49/77/09/1198497709.db2.gz ADNUOEYOAZRRCE-WFASDCNBSA-N 0 3 321.852 3.120 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@H](C)CC(C)C)CC2)CC1 ZINC001677468159 1198541313 /nfs/dbraw/zinc/54/13/13/1198541313.db2.gz YAFCTAVOQVTMFY-QGZVFWFLSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC=CCCC2)CC1 ZINC001678667801 1198715344 /nfs/dbraw/zinc/71/53/44/1198715344.db2.gz GJDGWQXTGQZTPE-QGZVFWFLSA-N 0 3 319.493 3.463 20 30 DGEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001681678732 1199059953 /nfs/dbraw/zinc/05/99/53/1199059953.db2.gz OZGXDSWYOURQML-DLBZAZTESA-N 0 3 321.509 3.236 20 30 DGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC(C)C ZINC001682683596 1199183919 /nfs/dbraw/zinc/18/39/19/1199183919.db2.gz MQLSMSSIRLQEFN-IAGOWNOFSA-N 0 3 309.498 3.351 20 30 DGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001683814045 1199308374 /nfs/dbraw/zinc/30/83/74/1199308374.db2.gz KALXCWJDLRIJPM-JZXOWHBKSA-N 0 3 319.493 3.247 20 30 DGEDHN C=CCCC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC001684447153 1199385016 /nfs/dbraw/zinc/38/50/16/1199385016.db2.gz ZJOVMBHJVQHUKL-UHFFFAOYSA-N 0 3 321.465 3.345 20 30 DGEDHN C=CCC1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CCCC1 ZINC001686387559 1199561958 /nfs/dbraw/zinc/56/19/58/1199561958.db2.gz WBHOLBMZYPRJMQ-KRWDZBQOSA-N 0 3 319.493 3.439 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC1(C)CCCC1)c1ccccc1 ZINC001691782701 1199642536 /nfs/dbraw/zinc/64/25/36/1199642536.db2.gz QVPJHTSOXANKFM-SFHVURJKSA-N 0 3 312.457 3.427 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001688886611 1199942707 /nfs/dbraw/zinc/94/27/07/1199942707.db2.gz SZYWEZMVYKFCBW-MAUKXSAKSA-N 0 3 320.502 3.426 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001688908003 1199953462 /nfs/dbraw/zinc/95/34/62/1199953462.db2.gz PAXLPOAKRSRXQJ-FZNQNYSPSA-N 0 3 318.436 3.412 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001688909461 1199954119 /nfs/dbraw/zinc/95/41/19/1199954119.db2.gz UCLTXLIVABEDCA-FZNQNYSPSA-N 0 3 318.436 3.331 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001688950022 1199969467 /nfs/dbraw/zinc/96/94/67/1199969467.db2.gz SZHAYIFHAJYROZ-RBSFLKMASA-N 0 3 300.874 3.296 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)C#CC1CC1 ZINC001753852336 1199999512 /nfs/dbraw/zinc/99/95/12/1199999512.db2.gz KWOXAYBXABXAJL-CQSZACIVSA-N 0 3 318.848 3.205 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cn1 ZINC001753966523 1200054440 /nfs/dbraw/zinc/05/44/40/1200054440.db2.gz RLQWEJUFAFSEFP-CYBMUJFWSA-N 0 3 323.868 3.230 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nccc2ccccc21 ZINC001753993848 1200063484 /nfs/dbraw/zinc/06/34/84/1200063484.db2.gz KUQNNMJNTDQZMV-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)c1csc2cc(C)ccc21 ZINC001754125108 1200110642 /nfs/dbraw/zinc/11/06/42/1200110642.db2.gz BILPUPQKVHRMID-AATRIKPKSA-N 0 3 312.438 3.109 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccc(Cl)s1 ZINC001754157098 1200117043 /nfs/dbraw/zinc/11/70/43/1200117043.db2.gz RAHHHUHNCZXZKB-AATRIKPKSA-N 0 3 312.866 3.376 20 30 DGEDHN CCC(CC)[C@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001754231747 1200143413 /nfs/dbraw/zinc/14/34/13/1200143413.db2.gz DHSLVWATMDBGSC-OLZOCXBDSA-N 0 3 321.490 3.286 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1cc(Cl)ccc1OC ZINC001754268965 1200164234 /nfs/dbraw/zinc/16/42/34/1200164234.db2.gz RVBLDRNPCIOPSW-ZDUSSCGKSA-N 0 3 324.852 3.299 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001754268973 1200164496 /nfs/dbraw/zinc/16/44/96/1200164496.db2.gz RXMBETCSNUNHIG-AWEZNQCLSA-N 0 3 306.425 3.331 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001754268903 1200164685 /nfs/dbraw/zinc/16/46/85/1200164685.db2.gz PPEQIXLQMDJXLH-HNNXBMFYSA-N 0 3 318.461 3.200 20 30 DGEDHN CCCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001754302105 1200183948 /nfs/dbraw/zinc/18/39/48/1200183948.db2.gz AVGOASPIWQBZFL-OAHLLOKOSA-N 0 3 301.434 3.075 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001754318932 1200206871 /nfs/dbraw/zinc/20/68/71/1200206871.db2.gz KVZJKXJMSAMQQZ-GUYCJALGSA-N 0 3 318.436 3.462 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC001754342661 1200235476 /nfs/dbraw/zinc/23/54/76/1200235476.db2.gz IKCFHMMVRJGVNM-JTQLQIEISA-N 0 3 301.217 3.230 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1cc(C2CC2)no1 ZINC001754388984 1200248924 /nfs/dbraw/zinc/24/89/24/1200248924.db2.gz QNVRBQXTDSOREF-UHFFFAOYSA-N 0 3 319.449 3.092 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001754448924 1200267174 /nfs/dbraw/zinc/26/71/74/1200267174.db2.gz IOKLMQCFCDZNKS-KDMTZKAISA-N 0 3 322.452 3.045 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001754484534 1200294736 /nfs/dbraw/zinc/29/47/36/1200294736.db2.gz CGZCYMYHNWWEPQ-WMZOPIPTSA-N 0 3 312.457 3.467 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001754489500 1200299862 /nfs/dbraw/zinc/29/98/62/1200299862.db2.gz YTCQUGJLJMRWHZ-OALUTQOASA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001754489501 1200300734 /nfs/dbraw/zinc/30/07/34/1200300734.db2.gz YTCQUGJLJMRWHZ-RBUKOAKNSA-N 0 3 312.457 3.337 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cccc(Cl)c1 ZINC001754493254 1200307133 /nfs/dbraw/zinc/30/71/33/1200307133.db2.gz TWEDFNNZSVIAOX-MRXNPFEDSA-N 0 3 306.837 3.039 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001754495319 1200309932 /nfs/dbraw/zinc/30/99/32/1200309932.db2.gz JBLYNFGDUDACCI-RDJZCZTQSA-N 0 3 316.445 3.244 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001754499970 1200314394 /nfs/dbraw/zinc/31/43/94/1200314394.db2.gz JBNZEFBQSVIZNY-SNVBAGLBSA-N 0 3 316.232 3.092 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001754502651 1200316305 /nfs/dbraw/zinc/31/63/05/1200316305.db2.gz MWUPBMTWTKSEJV-KRWDZBQOSA-N 0 3 300.446 3.382 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1ccc(Cl)s1 ZINC001754502589 1200316813 /nfs/dbraw/zinc/31/68/13/1200316813.db2.gz LYUREENVUJKEKB-GFCCVEGCSA-N 0 3 312.866 3.101 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001689895716 1200318482 /nfs/dbraw/zinc/31/84/82/1200318482.db2.gz BIOIYQOESBASHN-GDBMZVCRSA-N 0 3 321.852 3.115 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001689895717 1200319257 /nfs/dbraw/zinc/31/92/57/1200319257.db2.gz BIOIYQOESBASHN-GOEBONIOSA-N 0 3 321.852 3.115 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1csc2c1CCCC2 ZINC001754502875 1200320033 /nfs/dbraw/zinc/32/00/33/1200320033.db2.gz PLFLJDIPRCVWKK-AWEZNQCLSA-N 0 3 318.486 3.397 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccccn1 ZINC001689903426 1200323752 /nfs/dbraw/zinc/32/37/52/1200323752.db2.gz VTHSVGPCFHFAAP-FUHWJXTLSA-N 0 3 315.461 3.297 20 30 DGEDHN CCN(CCCNC(=O)C#CC(C)(C)C)Cc1ccccc1F ZINC001689930859 1200334437 /nfs/dbraw/zinc/33/44/37/1200334437.db2.gz BHARXZIDMYNYSF-UHFFFAOYSA-N 0 3 318.436 3.203 20 30 DGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001754558062 1200363882 /nfs/dbraw/zinc/36/38/82/1200363882.db2.gz WUUPVRXKMHROLP-LPHOPBHVSA-N 0 3 304.478 3.006 20 30 DGEDHN CC#CCN(CCCNC(=O)C[C@@H](C)c1ccccc1)C1CC1 ZINC001690013991 1200365059 /nfs/dbraw/zinc/36/50/59/1200365059.db2.gz LGXOONAPMGSMKE-QGZVFWFLSA-N 0 3 312.457 3.174 20 30 DGEDHN C#CCN(CCCNC(=O)C/C=C\c1ccc(C)cc1)C1CC1 ZINC001690016158 1200367321 /nfs/dbraw/zinc/36/73/21/1200367321.db2.gz LSYHMMOWYGCYBD-XQRVVYSFSA-N 0 3 310.441 3.002 20 30 DGEDHN CC#CCN(CCCNC(=O)C1CC(C(C)(C)C)C1)C1CC1 ZINC001690016280 1200367649 /nfs/dbraw/zinc/36/76/49/1200367649.db2.gz PYLXJNDCCJGVGF-UHFFFAOYSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC001754630801 1200407151 /nfs/dbraw/zinc/40/71/51/1200407151.db2.gz DITUPTWZACKCNC-UHFFFAOYSA-N 0 3 324.827 3.178 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001690123387 1200409265 /nfs/dbraw/zinc/40/92/65/1200409265.db2.gz OUBBIWAMEDXVPW-DLBZAZTESA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001754656810 1200420769 /nfs/dbraw/zinc/42/07/69/1200420769.db2.gz CVEGCEIFRZFFEU-MOPGFXCFSA-N 0 3 323.440 3.090 20 30 DGEDHN C=CCCC(=O)NC[C@H](N[C@H](C)c1ccccc1F)C1CC1 ZINC001690144956 1200420910 /nfs/dbraw/zinc/42/09/10/1200420910.db2.gz IZYYHQISRQWMBN-DYVFJYSZSA-N 0 3 304.409 3.337 20 30 DGEDHN CC(C)(C)/C=C/C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001690144909 1200421185 /nfs/dbraw/zinc/42/11/85/1200421185.db2.gz IMAFWIOQQMHCKR-KQDNUWKFSA-N 0 3 324.468 3.125 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001690153102 1200423707 /nfs/dbraw/zinc/42/37/07/1200423707.db2.gz FWUKZJPDXMHWMC-QGZVFWFLSA-N 0 3 304.409 3.166 20 30 DGEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(CCOc2ccccc2)C1 ZINC001754674232 1200436061 /nfs/dbraw/zinc/43/60/61/1200436061.db2.gz PYDBSSVOYKGZBN-LJQANCHMSA-N 0 3 316.445 3.002 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001690351639 1200505731 /nfs/dbraw/zinc/50/57/31/1200505731.db2.gz AEFHMGTUVGCXGC-PHIMTYICSA-N 0 3 305.249 3.145 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001754681995 1200440554 /nfs/dbraw/zinc/44/05/54/1200440554.db2.gz KFTNJJLAPQPEQG-HNAYVOBHSA-N 0 3 300.446 3.119 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001754686028 1200445468 /nfs/dbraw/zinc/44/54/68/1200445468.db2.gz XOIWUNXUOXAZQP-PXNSSMCTSA-N 0 3 314.473 3.412 20 30 DGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C1CC1 ZINC001690205517 1200455588 /nfs/dbraw/zinc/45/55/88/1200455588.db2.gz OAOWXUKEQXUKIA-CALCHBBNSA-N 0 3 304.478 3.454 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2oc(C(C)C)nc2C)C1 ZINC001690277727 1200472705 /nfs/dbraw/zinc/47/27/05/1200472705.db2.gz HIJFHFJKYJYYAL-SHTZXODSSA-N 0 3 319.449 3.200 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001754731112 1200475906 /nfs/dbraw/zinc/47/59/06/1200475906.db2.gz PAXFGKNMEQNFFB-PKOBYXMFSA-N 0 3 322.493 3.129 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001754732678 1200477252 /nfs/dbraw/zinc/47/72/52/1200477252.db2.gz AAXIQDHLOWAFHU-OAQYLSRUSA-N 0 3 324.468 3.031 20 30 DGEDHN C=CCCCC(=O)N1CC[C@H]([C@@H](C)NCc2ncc(C)s2)C1 ZINC001754800246 1200496692 /nfs/dbraw/zinc/49/66/92/1200496692.db2.gz STDSZFGKLLZOOK-CABCVRRESA-N 0 3 321.490 3.134 20 30 DGEDHN CCCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001690325185 1200497575 /nfs/dbraw/zinc/49/75/75/1200497575.db2.gz NATZDVUYGAXVDV-CALCHBBNSA-N 0 3 318.848 3.119 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001754916797 1200536893 /nfs/dbraw/zinc/53/68/93/1200536893.db2.gz CJUUGXSTIGOOFF-CQSZACIVSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001754837130 1200515617 /nfs/dbraw/zinc/51/56/17/1200515617.db2.gz DKVVQRRCOSRYRQ-WOJBJXKFSA-N 0 3 324.468 3.064 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001754908378 1200533577 /nfs/dbraw/zinc/53/35/77/1200533577.db2.gz VKCWVDULMFRJMH-UKRRQHHQSA-N 0 3 300.874 3.393 20 30 DGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001690392060 1200536576 /nfs/dbraw/zinc/53/65/76/1200536576.db2.gz OOBHNJAUPBDWSR-ROUUACIJSA-N 0 3 312.457 3.032 20 30 DGEDHN C=C1CC(C)(C(=O)NCc2ccc([C@H](C)NCC#CC)cc2)C1 ZINC001754948828 1200550194 /nfs/dbraw/zinc/55/01/94/1200550194.db2.gz QCPMYBCBZFWQHE-INIZCTEOSA-N 0 3 310.441 3.333 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cccn2CC)cc1 ZINC001754951547 1200552958 /nfs/dbraw/zinc/55/29/58/1200552958.db2.gz XQDFVNJZVSNPCP-INIZCTEOSA-N 0 3 323.440 3.112 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(F)s2)cc1 ZINC001754951611 1200553102 /nfs/dbraw/zinc/55/31/02/1200553102.db2.gz ZKNKYQKTWJUJSF-GFCCVEGCSA-N 0 3 316.401 3.101 20 30 DGEDHN C=CCCC(=O)NC[C@@H]1CCCCN1CCc1ccccc1F ZINC001690440401 1200556325 /nfs/dbraw/zinc/55/63/25/1200556325.db2.gz DUYHTVNQMOZCDA-KRWDZBQOSA-N 0 3 318.436 3.305 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2scnc2C)CCC1 ZINC001754985844 1200571109 /nfs/dbraw/zinc/57/11/09/1200571109.db2.gz HQKYTPYUFKKOBX-MRXNPFEDSA-N 0 3 321.490 3.182 20 30 DGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(CCC)CCC)C1 ZINC001690502461 1200596465 /nfs/dbraw/zinc/59/64/65/1200596465.db2.gz YPMKALVZEMUZQR-FUHWJXTLSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(F)c2ccccc12 ZINC001755043399 1200610858 /nfs/dbraw/zinc/61/08/58/1200610858.db2.gz VDBRCESJAJZRNE-UHFFFAOYSA-N 0 3 312.388 3.006 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC001755044301 1200613603 /nfs/dbraw/zinc/61/36/03/1200613603.db2.gz NPGRNELSVPTMGU-UHFFFAOYSA-N 0 3 314.473 3.401 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)c1c(C)cc(C)cc1C ZINC001755044983 1200616415 /nfs/dbraw/zinc/61/64/15/1200616415.db2.gz BETNWEOCDVGQGC-UHFFFAOYSA-N 0 3 300.446 3.029 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CCCC ZINC001755074125 1200627935 /nfs/dbraw/zinc/62/79/35/1200627935.db2.gz PMQXHPIKOQYNGF-SFHVURJKSA-N 0 3 300.446 3.296 20 30 DGEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC(F)F ZINC001755075580 1200629112 /nfs/dbraw/zinc/62/91/12/1200629112.db2.gz JOYKFQMIEWEZIZ-MRXNPFEDSA-N 0 3 322.399 3.151 20 30 DGEDHN C=CCCC(=O)N1C[C@H](NCc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC001755105974 1200638501 /nfs/dbraw/zinc/63/85/01/1200638501.db2.gz WRWAPCNOTXAEEY-LRDDRELGSA-N 0 3 324.827 3.382 20 30 DGEDHN C=C(C)CCC(=O)N1CCC(C)(NCc2nc(C)cs2)CC1 ZINC001755129832 1200648444 /nfs/dbraw/zinc/64/84/44/1200648444.db2.gz UPKKMFSQZWRNBV-UHFFFAOYSA-N 0 3 321.490 3.279 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2ccns2)[C@H](C)C1 ZINC001755159291 1200665477 /nfs/dbraw/zinc/66/54/77/1200665477.db2.gz FWWQMLJIMKXQOK-HUUCEWRRSA-N 0 3 321.490 3.011 20 30 DGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)C1CC1 ZINC001755187710 1200685260 /nfs/dbraw/zinc/68/52/60/1200685260.db2.gz NOBOSBIILWIDID-LXGCGDOSSA-N 0 3 312.457 3.371 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](CNCc2c(F)cccc2Cl)C1 ZINC001690702001 1200685686 /nfs/dbraw/zinc/68/56/86/1200685686.db2.gz TVXNYDMSMGUBQV-ZDUSSCGKSA-N 0 3 324.827 3.383 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001690730430 1200690962 /nfs/dbraw/zinc/69/09/62/1200690962.db2.gz NJHWLOGOROUHFK-BDBSJLECSA-N 0 3 323.440 3.019 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc2scnc21 ZINC001755193051 1200691436 /nfs/dbraw/zinc/69/14/36/1200691436.db2.gz QIODPRQJEOTTRO-ZDUSSCGKSA-N 0 3 315.442 3.019 20 30 DGEDHN C=C/C(C)=C\CC(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001690730433 1200691946 /nfs/dbraw/zinc/69/19/46/1200691946.db2.gz NJHWLOGOROUHFK-QOTSWMAJSA-N 0 3 323.440 3.019 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001755198736 1200697384 /nfs/dbraw/zinc/69/73/84/1200697384.db2.gz GSEWLRKSTAPVDN-BDXSIMOUSA-N 0 3 304.478 3.312 20 30 DGEDHN C#CCCCCCC(=O)N1CCC[C@H]([C@@H]2CCN(CCF)C2)C1 ZINC001755205034 1200702058 /nfs/dbraw/zinc/70/20/58/1200702058.db2.gz PDXLIYDWXFWTHR-ZWKOTPCHSA-N 0 3 322.468 3.100 20 30 DGEDHN CC(C)CC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001690762588 1200702366 /nfs/dbraw/zinc/70/23/66/1200702366.db2.gz NLWBNBWFHQSOIS-MSOLQXFVSA-N 0 3 313.445 3.121 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H]1CCc2ccccc21 ZINC001755211850 1200705798 /nfs/dbraw/zinc/70/57/98/1200705798.db2.gz XGVAPHBSNOVCHS-QZTJIDSGSA-N 0 3 312.457 3.215 20 30 DGEDHN CC[C@H](C)C(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001755277116 1200757768 /nfs/dbraw/zinc/75/77/68/1200757768.db2.gz FKJNICZPLZNNNL-HNNXBMFYSA-N 0 3 315.461 3.179 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001755312903 1200796745 /nfs/dbraw/zinc/79/67/45/1200796745.db2.gz JNIGDBMNZPIURD-CVEARBPZSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001755314994 1200799561 /nfs/dbraw/zinc/79/95/61/1200799561.db2.gz ZXIGJEVCVZJGNW-QJPTWQEYSA-N 0 3 312.866 3.128 20 30 DGEDHN C=CCN[C@H](CNC(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC001691796822 1200812506 /nfs/dbraw/zinc/81/25/06/1200812506.db2.gz NYNWUQRMMNFQFD-MSOLQXFVSA-N 0 3 312.388 3.330 20 30 DGEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCF)C[C@H]1c1ccccc1 ZINC001691840257 1200830154 /nfs/dbraw/zinc/83/01/54/1200830154.db2.gz QKDMZZOHMNHYBJ-ZWKOTPCHSA-N 0 3 318.436 3.287 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)/C=C\c2ccc[nH]2)CCCCC1 ZINC001755349573 1200833068 /nfs/dbraw/zinc/83/30/68/1200833068.db2.gz APNLAAHYIKWFQI-FPLPWBNLSA-N 0 3 321.852 3.189 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001691861396 1200842976 /nfs/dbraw/zinc/84/29/76/1200842976.db2.gz WDFBZWHINSAKDE-OLZOCXBDSA-N 0 3 306.372 3.074 20 30 DGEDHN C=CCN1C[C@H](NC(=O)C[C@H](C)c2ccccc2F)C(C)(C)C1 ZINC001755411621 1200885717 /nfs/dbraw/zinc/88/57/17/1200885717.db2.gz MPMZPWPWJHSEEM-YOEHRIQHSA-N 0 3 318.436 3.332 20 30 DGEDHN C#CCCCC(=O)N1CC2(C[C@@H]1C)CCN(C[C@H](F)CC)CC2 ZINC001691960239 1200886520 /nfs/dbraw/zinc/88/65/20/1200886520.db2.gz NNHJTHJKIWMJPP-DLBZAZTESA-N 0 3 322.468 3.241 20 30 DGEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)CCC)C2)CC1 ZINC001691960284 1200887936 /nfs/dbraw/zinc/88/79/36/1200887936.db2.gz OIEIWPUVRSAFQK-SJORKVTESA-N 0 3 304.478 3.149 20 30 DGEDHN C=CCC1(C(=O)NCC2[C@H]3CN(C/C=C/Cl)C[C@@H]23)CCCC1 ZINC001755439642 1200897794 /nfs/dbraw/zinc/89/77/94/1200897794.db2.gz OSFNBXRZDJCQGK-JTWLUXRZSA-N 0 3 322.880 3.169 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)C/C=C\Cc3ccccc3)C2)C1 ZINC001755456018 1200903952 /nfs/dbraw/zinc/90/39/52/1200903952.db2.gz HIWPOWGDMDSTPH-SREVYHEPSA-N 0 3 324.468 3.286 20 30 DGEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCC=C(Cl)Cl ZINC001692060963 1200918142 /nfs/dbraw/zinc/91/81/42/1200918142.db2.gz HYOIEDUBCZOZEZ-OLZOCXBDSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccnc(C2CC2)c1 ZINC001755506031 1200925368 /nfs/dbraw/zinc/92/53/68/1200925368.db2.gz OHIGXMBJBYUSJR-CYBMUJFWSA-N 0 3 321.852 3.200 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001755518497 1200931337 /nfs/dbraw/zinc/93/13/37/1200931337.db2.gz PHHLROYFJLCZFM-GFCCVEGCSA-N 0 3 322.827 3.439 20 30 DGEDHN Cc1ccc(CN[C@@H](C)CN(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001755586425 1200971276 /nfs/dbraw/zinc/97/12/76/1200971276.db2.gz KVCGNUGZXJLBRA-HNNXBMFYSA-N 0 3 320.864 3.244 20 30 DGEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001755585738 1200971354 /nfs/dbraw/zinc/97/13/54/1200971354.db2.gz UDCJTPVEONGKGO-ZDUSSCGKSA-N 0 3 324.827 3.219 20 30 DGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CCC=C)c2ccccc2)[C@H]1C ZINC001692244239 1200983112 /nfs/dbraw/zinc/98/31/12/1200983112.db2.gz XUGDXDMEONZHFP-RLLQIKCJSA-N 0 3 324.468 3.339 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001692254597 1200988880 /nfs/dbraw/zinc/98/88/80/1200988880.db2.gz KZECXFIQUAWMOM-MHORFTMASA-N 0 3 304.478 3.312 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2c(cccc2F)s1 ZINC001755616136 1200992797 /nfs/dbraw/zinc/99/27/97/1200992797.db2.gz KNYDYZNPYHFUTI-LBPRGKRZSA-N 0 3 318.417 3.114 20 30 DGEDHN C#CCCCCC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001692292991 1201007560 /nfs/dbraw/zinc/00/75/60/1201007560.db2.gz PDJOFLQPSCAWHH-UHFFFAOYSA-N 0 3 312.457 3.045 20 30 DGEDHN CC[C@H](c1ccccc1)N1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001692304550 1201008347 /nfs/dbraw/zinc/00/83/47/1201008347.db2.gz RKRMLUJVFZHVPH-GOSISDBHSA-N 0 3 312.457 3.235 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2ncccc2C)C[C@H]1C ZINC001755677451 1201010227 /nfs/dbraw/zinc/01/02/27/1201010227.db2.gz XWNFQMQFVNMWRP-CVEARBPZSA-N 0 3 315.461 3.071 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)C(CC(C)C)CC(C)C)CCC[C@@H]12 ZINC001755703993 1201027460 /nfs/dbraw/zinc/02/74/60/1201027460.db2.gz GIKFCYPFFHPYOJ-QUCCMNQESA-N 0 3 318.505 3.441 20 30 DGEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2(CCC)CCC2)[C@@H]1C ZINC001755717039 1201039600 /nfs/dbraw/zinc/03/96/00/1201039600.db2.gz PXDFMOJNNZJGCF-DLBZAZTESA-N 0 3 322.493 3.129 20 30 DGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCC1 ZINC001692368705 1201041683 /nfs/dbraw/zinc/04/16/83/1201041683.db2.gz DGSZGZVMSWDMGN-SZMVWBNQSA-N 0 3 304.478 3.454 20 30 DGEDHN C=CCN1CCC[C@@H](NC(=O)CCc2ccccc2C)[C@@H]1C ZINC001755720396 1201043034 /nfs/dbraw/zinc/04/30/34/1201043034.db2.gz FIZZOCLPWRABOM-FUHWJXTLSA-N 0 3 300.446 3.083 20 30 DGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCC2 ZINC001692376016 1201044301 /nfs/dbraw/zinc/04/43/01/1201044301.db2.gz CXWQICRTSHVENB-ULQDDVLXSA-N 0 3 304.478 3.432 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)CCc2cc(C)cc(C)c2)[C@H]1C ZINC001692405172 1201055106 /nfs/dbraw/zinc/05/51/06/1201055106.db2.gz FXWPWWSXCDKTFZ-AEFFLSMTSA-N 0 3 300.446 3.001 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccc(F)c(F)c1)C(C)C ZINC001755813074 1201077765 /nfs/dbraw/zinc/07/77/65/1201077765.db2.gz ZODZUSHPPAJDJJ-UHFFFAOYSA-N 0 3 324.415 3.252 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cn(C(C)C)nc1C)C(C)C ZINC001755817774 1201083136 /nfs/dbraw/zinc/08/31/36/1201083136.db2.gz YMMPEJALKHCTTR-UHFFFAOYSA-N 0 3 320.481 3.131 20 30 DGEDHN C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001755818468 1201085103 /nfs/dbraw/zinc/08/51/03/1201085103.db2.gz MVYJNXNZLXNVOU-RHSMWYFYSA-N 0 3 318.461 3.481 20 30 DGEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CCN(C[C@@H](F)CC)CC2)C1 ZINC001755851512 1201106687 /nfs/dbraw/zinc/10/66/87/1201106687.db2.gz WBZOYYASARNRPG-HOCLYGCPSA-N 0 3 310.457 3.308 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001755860967 1201111207 /nfs/dbraw/zinc/11/12/07/1201111207.db2.gz BQUOPXYGJHOORR-QOZQQMKHSA-N 0 3 319.276 3.487 20 30 DGEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3CCC[C@H]3C)CC2)CC1 ZINC001755868694 1201115012 /nfs/dbraw/zinc/11/50/12/1201115012.db2.gz CYLJPRMTTVXTFJ-SJORKVTESA-N 0 3 316.489 3.197 20 30 DGEDHN C=C[C@H](C(=O)NC[C@H](CC)NCc1ccccn1)c1ccccc1 ZINC001698619065 1201290335 /nfs/dbraw/zinc/29/03/35/1201290335.db2.gz MMLPUEKCDYPIQI-HKUYNNGSSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C1CC1 ZINC001698649744 1201314242 /nfs/dbraw/zinc/31/42/42/1201314242.db2.gz SHZZVPAMNUYHKN-AFIMGQEJSA-N 0 3 324.896 3.440 20 30 DGEDHN C=CCCC(=O)N1CCC(CCNC/C(Cl)=C\Cl)CC1 ZINC001698691254 1201335092 /nfs/dbraw/zinc/33/50/92/1201335092.db2.gz BENBJEPFNIGQSX-SDNWHVSQSA-N 0 3 319.276 3.490 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2c(F)cccc2F)CC1 ZINC001698706832 1201342995 /nfs/dbraw/zinc/34/29/95/1201342995.db2.gz QNMFKBAASZPTFT-HDJSIYSDSA-N 0 3 322.399 3.448 20 30 DGEDHN CC#CCNCc1ccc(CNC(=O)C(C)(C)C(C)C)cc1 ZINC001698717424 1201357082 /nfs/dbraw/zinc/35/70/82/1201357082.db2.gz HMNUOHJEUXZBIH-UHFFFAOYSA-N 0 3 300.446 3.098 20 30 DGEDHN CC/C(C)=C\C(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001698809745 1201445810 /nfs/dbraw/zinc/44/58/10/1201445810.db2.gz QBHSHFACZJZCQR-VLGSPTGOSA-N 0 3 324.468 3.413 20 30 DGEDHN CCCCC(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001698816952 1201462963 /nfs/dbraw/zinc/46/29/63/1201462963.db2.gz DHQXXLSVSRKVSZ-OAHLLOKOSA-N 0 3 320.864 3.318 20 30 DGEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2scnc2C)CCC1 ZINC001698842882 1201495958 /nfs/dbraw/zinc/49/59/58/1201495958.db2.gz IEYZNCPFUSKAPP-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001698924776 1201577550 /nfs/dbraw/zinc/57/75/50/1201577550.db2.gz CMHHTFRMELENPP-HZPDHXFCSA-N 0 3 316.445 3.189 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)c1ccsc1)C(C)C ZINC001698972920 1201628385 /nfs/dbraw/zinc/62/83/85/1201628385.db2.gz OYELEMUUUCPBRY-OCCSQVGLSA-N 0 3 314.882 3.335 20 30 DGEDHN CCC(C)(C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001698976000 1201632678 /nfs/dbraw/zinc/63/26/78/1201632678.db2.gz TWLRIPUFAWLEPH-SFHVURJKSA-N 0 3 314.473 3.205 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001698993686 1201658733 /nfs/dbraw/zinc/65/87/33/1201658733.db2.gz NRIRGWRHQYKUJO-INIZCTEOSA-N 0 3 318.436 3.471 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC001699005073 1201673065 /nfs/dbraw/zinc/67/30/65/1201673065.db2.gz VZZVLALYXMSQAO-UHFFFAOYSA-N 0 3 305.466 3.266 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(F)F)o1 ZINC001750931046 1201726391 /nfs/dbraw/zinc/72/63/91/1201726391.db2.gz VKKSTELYHWHBOK-LBPRGKRZSA-N 0 3 312.360 3.330 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)cc1OC ZINC001750930047 1201728362 /nfs/dbraw/zinc/72/83/62/1201728362.db2.gz QLTZZLGSDMECCW-INIZCTEOSA-N 0 3 316.445 3.116 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)CCc2cccc(F)c2)[C@H]1C ZINC001750935623 1201730540 /nfs/dbraw/zinc/73/05/40/1201730540.db2.gz ZMQYHBBHDNRPPL-RKVPGOIHSA-N 0 3 318.436 3.159 20 30 DGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccnc2)CC(C)(C)C1 ZINC001750941625 1201731350 /nfs/dbraw/zinc/73/13/50/1201731350.db2.gz ICECETFRNKNCOC-QGZVFWFLSA-N 0 3 315.461 3.155 20 30 DGEDHN CC#CCNC/C=C\CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001699274415 1201774366 /nfs/dbraw/zinc/77/43/66/1201774366.db2.gz HZMXEYJWEQUZDR-HJWRWDBZSA-N 0 3 312.457 3.273 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001752144863 1201783669 /nfs/dbraw/zinc/78/36/69/1201783669.db2.gz YNFWWSPYNLXWSB-GOEBONIOSA-N 0 3 321.852 3.115 20 30 DGEDHN C#CCN(CCCNC(=O)c1cccc(-c2ccoc2)c1)C1CC1 ZINC001752287024 1201821138 /nfs/dbraw/zinc/82/11/38/1201821138.db2.gz LIHFGOWOPLSXMA-UHFFFAOYSA-N 0 3 322.408 3.164 20 30 DGEDHN CCc1ccc(CN2CCC(N(C)C(=O)C#CC3CC3)CC2)cc1 ZINC001752299256 1201823806 /nfs/dbraw/zinc/82/38/06/1201823806.db2.gz AYYVXWJAOLIIBY-UHFFFAOYSA-N 0 3 324.468 3.085 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001699378285 1201824688 /nfs/dbraw/zinc/82/46/88/1201824688.db2.gz IFCGGQOVTTYMGA-RDTXWAMCSA-N 0 3 306.425 3.331 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2c(C)nsc2C)CC1 ZINC001699379210 1201827013 /nfs/dbraw/zinc/82/70/13/1201827013.db2.gz ZYQYMJBKVFLPNC-GFCCVEGCSA-N 0 3 321.490 3.101 20 30 DGEDHN C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)CC(C)(C)C ZINC001699393583 1201836252 /nfs/dbraw/zinc/83/62/52/1201836252.db2.gz JAAUDJSYJFCFRZ-AWEZNQCLSA-N 0 3 320.864 3.222 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)CC2CC(OCC)C2)CC1 ZINC001752439990 1201838896 /nfs/dbraw/zinc/83/88/96/1201838896.db2.gz RFVPKZBCBHMVAR-UHFFFAOYSA-N 0 3 322.493 3.081 20 30 DGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCCC ZINC001752532403 1201871723 /nfs/dbraw/zinc/87/17/23/1201871723.db2.gz PFVOSECWLCSLLJ-XLAORIBOSA-N 0 3 322.493 3.222 20 30 DGEDHN C=CC1(CC(=O)N2CC[C@H](NC/C=C\Cl)C2)CCCCC1 ZINC001752593461 1201875505 /nfs/dbraw/zinc/87/55/05/1201875505.db2.gz GEIHMRBEYVCCED-MLBQELRYSA-N 0 3 310.869 3.456 20 30 DGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)/C=C/C(C)(C)C ZINC001699447586 1201883739 /nfs/dbraw/zinc/88/37/39/1201883739.db2.gz ZLXXDZMROGOVJZ-NKSUMMKUSA-N 0 3 313.445 3.097 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001752651704 1201886049 /nfs/dbraw/zinc/88/60/49/1201886049.db2.gz RWBHNHWCYJRSDE-JOCQHMNTSA-N 0 3 324.827 3.428 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001752680726 1201887672 /nfs/dbraw/zinc/88/76/72/1201887672.db2.gz ALNLDDYSTPSIAO-MGPQQGTHSA-N 0 3 300.874 3.438 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001752781037 1201918647 /nfs/dbraw/zinc/91/86/47/1201918647.db2.gz KGTBKNLNEXSOSV-MEJUDOHFSA-N 0 3 324.468 3.332 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1csc(Cl)c1 ZINC001699538679 1201940139 /nfs/dbraw/zinc/94/01/39/1201940139.db2.gz DDOAEDSWFLTKAY-UHFFFAOYSA-N 0 3 307.246 3.206 20 30 DGEDHN C=CCC1(C(=O)N(C)CCCNCc2conc2C)CCCC1 ZINC001699555528 1201948457 /nfs/dbraw/zinc/94/84/57/1201948457.db2.gz OSCUMNMEMGDVNV-UHFFFAOYSA-N 0 3 319.449 3.058 20 30 DGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](CCCC)C(C)C ZINC001752825038 1201952896 /nfs/dbraw/zinc/95/28/96/1201952896.db2.gz KJBXHQZCXKYFSP-QZTJIDSGSA-N 0 3 306.494 3.443 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001752834617 1201960160 /nfs/dbraw/zinc/96/01/60/1201960160.db2.gz VNMOVUBTTIWQBI-DLBZAZTESA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001752835076 1201960655 /nfs/dbraw/zinc/96/06/55/1201960655.db2.gz AXPFJFFCPBHZNM-SJORKVTESA-N 0 3 315.461 3.155 20 30 DGEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cscn2)[C@@H](CC)C1 ZINC001699609085 1201973997 /nfs/dbraw/zinc/97/39/97/1201973997.db2.gz YVZHDGHGRULIRZ-GOEBONIOSA-N 0 3 321.490 3.216 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001699627721 1201989455 /nfs/dbraw/zinc/98/94/55/1201989455.db2.gz KEVKYQXJTCBKEI-CYBMUJFWSA-N 0 3 310.800 3.249 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001699639069 1202005408 /nfs/dbraw/zinc/00/54/08/1202005408.db2.gz MNJLVJRHXPQVFH-WBVHZDCISA-N 0 3 323.440 3.394 20 30 DGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc4cc[nH]c4c3)CC2)C1 ZINC001699662327 1202021603 /nfs/dbraw/zinc/02/16/03/1202021603.db2.gz OOTCFHSYBSPTDR-UHFFFAOYSA-N 0 3 323.440 3.263 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001699664010 1202022383 /nfs/dbraw/zinc/02/23/83/1202022383.db2.gz STPDWYMGBWHFFQ-MRXNPFEDSA-N 0 3 321.490 3.101 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001752967552 1202027881 /nfs/dbraw/zinc/02/78/81/1202027881.db2.gz GARQJTLQYRTFFD-KGLIPLIRSA-N 0 3 321.490 3.262 20 30 DGEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)c2ccco2)CC1 ZINC001699683868 1202030889 /nfs/dbraw/zinc/03/08/89/1202030889.db2.gz DJAFVWAOKFLHIA-UHFFFAOYSA-N 0 3 322.836 3.349 20 30 DGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001699696848 1202038146 /nfs/dbraw/zinc/03/81/46/1202038146.db2.gz JTWOZPAAMYAIOJ-AZUAARDMSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001752999121 1202047693 /nfs/dbraw/zinc/04/76/93/1202047693.db2.gz SYLFGEDFRRKPQV-IEBWSBKVSA-N 0 3 312.457 3.126 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001753010856 1202057528 /nfs/dbraw/zinc/05/75/28/1202057528.db2.gz ICJPHYCWTVQRGD-LLVKDONJSA-N 0 3 323.799 3.158 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001753017348 1202061696 /nfs/dbraw/zinc/06/16/96/1202061696.db2.gz WZBCGWRDVXKGTR-CYBMUJFWSA-N 0 3 311.857 3.064 20 30 DGEDHN O=C(NCCC[C@H]1CCCN1CC#Cc1ccccc1)C1CCC1 ZINC001753022916 1202064489 /nfs/dbraw/zinc/06/44/89/1202064489.db2.gz OIRQJYAUPBFKHV-FQEVSTJZSA-N 0 3 324.468 3.199 20 30 DGEDHN C=CCN1CCC(C)(NC(=O)CCc2cc(C)cc(C)c2)CC1 ZINC001699774360 1202075145 /nfs/dbraw/zinc/07/51/45/1202075145.db2.gz RBPZZBZANILHPA-UHFFFAOYSA-N 0 3 314.473 3.393 20 30 DGEDHN C#CCCCCCC(=O)N(CC#C)C1CCN(CC(=C)C)CC1 ZINC001699780379 1202077679 /nfs/dbraw/zinc/07/76/79/1202077679.db2.gz LTNGBTSALIDENI-UHFFFAOYSA-N 0 3 314.473 3.072 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001753066001 1202095903 /nfs/dbraw/zinc/09/59/03/1202095903.db2.gz LBQIOGHLYSGOTG-ZWKOTPCHSA-N 0 3 300.446 3.031 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccccc2CC)C1 ZINC001699868973 1202123517 /nfs/dbraw/zinc/12/35/17/1202123517.db2.gz QAFWTUKKNSEDAO-HXUWFJFHSA-N 0 3 314.473 3.196 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2csc(Cl)c2)C1 ZINC001699878637 1202133700 /nfs/dbraw/zinc/13/37/00/1202133700.db2.gz YPFXNILISUMQQZ-MRXNPFEDSA-N 0 3 324.877 3.257 20 30 DGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001753114119 1202143482 /nfs/dbraw/zinc/14/34/82/1202143482.db2.gz CDQUTZZCVSXSKL-UKRRQHHQSA-N 0 3 322.399 3.225 20 30 DGEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)CCCC)C2)CC1 ZINC001699976571 1202154589 /nfs/dbraw/zinc/15/45/89/1202154589.db2.gz PUMYTQCPNUOMFK-GOSISDBHSA-N 0 3 304.478 3.151 20 30 DGEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)CCCCC)C[C@@H]2C1 ZINC001699994225 1202160770 /nfs/dbraw/zinc/16/07/70/1202160770.db2.gz MVIXLLCYTLHWOX-CALCHBBNSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC1CCCC1 ZINC001700017903 1202166718 /nfs/dbraw/zinc/16/67/18/1202166718.db2.gz SWKDWVCYLOYDLS-ROUUACIJSA-N 0 3 302.462 3.045 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC001700058093 1202170801 /nfs/dbraw/zinc/17/08/01/1202170801.db2.gz OWCDZMUZQDAWIL-LLVKDONJSA-N 0 3 316.829 3.082 20 30 DGEDHN C=CCN(CCNC(=O)C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC001753164853 1202178005 /nfs/dbraw/zinc/17/80/05/1202178005.db2.gz IUDDUIJTZDIUEO-CQSZACIVSA-N 0 3 304.409 3.086 20 30 DGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)C2CC2)cc1 ZINC001700099091 1202180775 /nfs/dbraw/zinc/18/07/75/1202180775.db2.gz KGWVCDNNNVNWIF-JKSUJKDBSA-N 0 3 312.457 3.413 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)CC[C@H](C)c3ccccc3)C2)CC1 ZINC001700108951 1202183377 /nfs/dbraw/zinc/18/33/77/1202183377.db2.gz CMGUAZNJVNWJSD-SFHVURJKSA-N 0 3 324.468 3.128 20 30 DGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2cccnc2C)CCC1 ZINC001700135764 1202188746 /nfs/dbraw/zinc/18/87/46/1202188746.db2.gz NTDPIGAULKNRFW-MRXNPFEDSA-N 0 3 315.461 3.121 20 30 DGEDHN C#CCCCCCC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001700176430 1202196270 /nfs/dbraw/zinc/19/62/70/1202196270.db2.gz JKXUFILUBLPFSK-RCLKMUNOSA-N 0 3 310.869 3.293 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccsc1C)c1ccccc1 ZINC001753298306 1202199594 /nfs/dbraw/zinc/19/95/94/1202199594.db2.gz CPARIWYZJBGWCA-QGZVFWFLSA-N 0 3 312.438 3.141 20 30 DGEDHN C=C(C)CN[C@@H](CNC(=O)c1ncc(C)cc1C)c1ccccc1 ZINC001753299582 1202199965 /nfs/dbraw/zinc/19/99/65/1202199965.db2.gz FMHLOIOJCWBIOY-SFHVURJKSA-N 0 3 323.440 3.335 20 30 DGEDHN C#CCCN[C@H](CNC(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC001753301514 1202200869 /nfs/dbraw/zinc/20/08/69/1202200869.db2.gz JUTLZOONZJLHGJ-LJQANCHMSA-N 0 3 324.399 3.218 20 30 DGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)C(CC)CC)C1 ZINC001753317978 1202206657 /nfs/dbraw/zinc/20/66/57/1202206657.db2.gz ZTBKJKIYSVVIQJ-SJLPKXTDSA-N 0 3 306.494 3.395 20 30 DGEDHN CN(CCCN(C)C(=O)C(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC001700194252 1202206921 /nfs/dbraw/zinc/20/69/21/1202206921.db2.gz NIGYRJSDZSNTHF-UHFFFAOYSA-N 0 3 319.424 3.024 20 30 DGEDHN C=C(C)CCC(=O)N(CCC)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001753317299 1202207035 /nfs/dbraw/zinc/20/70/35/1202207035.db2.gz LHBQCPFDBZRBEG-ZWKOTPCHSA-N 0 3 322.493 3.225 20 30 DGEDHN O=C(CCC1CC1)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001753325019 1202211968 /nfs/dbraw/zinc/21/19/68/1202211968.db2.gz OBWKFCVGJKKKPG-HXUWFJFHSA-N 0 3 324.468 3.057 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001753326613 1202212306 /nfs/dbraw/zinc/21/23/06/1202212306.db2.gz GPKVSEQQHYBVRF-PKOBYXMFSA-N 0 3 312.457 3.215 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001700316254 1202233491 /nfs/dbraw/zinc/23/34/91/1202233491.db2.gz RWBGNGKMBGMZGK-NEPJUHHUSA-N 0 3 306.372 3.120 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc2ccccc2c1 ZINC001700362666 1202250249 /nfs/dbraw/zinc/25/02/49/1202250249.db2.gz CBLOVEVVTMJNPJ-HXUWFJFHSA-N 0 3 322.452 3.491 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001753427421 1202250930 /nfs/dbraw/zinc/25/09/30/1202250930.db2.gz HKOZOIPBZHEZNG-HOTGVXAUSA-N 0 3 309.413 3.033 20 30 DGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C/C=C\Cc2ccccc2)C1 ZINC001753439464 1202254837 /nfs/dbraw/zinc/25/48/37/1202254837.db2.gz ONNBVQCFHRYRBA-FQQSSWHASA-N 0 3 312.457 3.284 20 30 DGEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2scnc2C(C)C)C1 ZINC001753445254 1202257515 /nfs/dbraw/zinc/25/75/15/1202257515.db2.gz ISCBPLNTEDYLNQ-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(Cl)s2)C1 ZINC001753450698 1202259894 /nfs/dbraw/zinc/25/98/94/1202259894.db2.gz WDIUJTCWSKDKQX-GFCCVEGCSA-N 0 3 312.866 3.053 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1sccc1Cl ZINC001700395366 1202261350 /nfs/dbraw/zinc/26/13/50/1202261350.db2.gz POOYKNLKSYTGBK-NEPJUHHUSA-N 0 3 312.866 3.188 20 30 DGEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001753456592 1202262987 /nfs/dbraw/zinc/26/29/87/1202262987.db2.gz ZQFNRBCOONXZHJ-KRWDZBQOSA-N 0 3 322.493 3.082 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001753461620 1202264123 /nfs/dbraw/zinc/26/41/23/1202264123.db2.gz KMZNVHLPIPWKEC-ROUUACIJSA-N 0 3 322.468 3.241 20 30 DGEDHN C[C@@H](NC(=O)CCCC1CC1)[C@H](C)NCC#Cc1ccccc1 ZINC001700413118 1202266353 /nfs/dbraw/zinc/26/63/53/1202266353.db2.gz JIGOODUKFRZOKK-DLBZAZTESA-N 0 3 312.457 3.101 20 30 DGEDHN CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001700414079 1202266746 /nfs/dbraw/zinc/26/67/46/1202266746.db2.gz PFCUCUKBOOSTIA-NWDGAFQWSA-N 0 3 307.463 3.039 20 30 DGEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2cnc(C)s2)CC1 ZINC001700418442 1202267643 /nfs/dbraw/zinc/26/76/43/1202267643.db2.gz LKVNIJJADIKWKS-STQMWFEESA-N 0 3 321.490 3.181 20 30 DGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cscc1C)C1CC1 ZINC001753516615 1202280965 /nfs/dbraw/zinc/28/09/65/1202280965.db2.gz HTINJPYBWJZGEW-OAHLLOKOSA-N 0 3 312.866 3.297 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1c(C)coc1C)C1CC1 ZINC001753515764 1202281176 /nfs/dbraw/zinc/28/11/76/1202281176.db2.gz GUSQGGMQFPMBHK-INIZCTEOSA-N 0 3 310.825 3.137 20 30 DGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001753547238 1202287458 /nfs/dbraw/zinc/28/74/58/1202287458.db2.gz AMXRTNGLNNZDSC-INIZCTEOSA-N 0 3 319.449 3.058 20 30 DGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(F)c2ccccc12 ZINC001700479064 1202289701 /nfs/dbraw/zinc/28/97/01/1202289701.db2.gz YZGBODNLSUBTGX-CYBMUJFWSA-N 0 3 300.377 3.215 20 30 DGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NCc2nc(C)cs2)CC1 ZINC001753582275 1202292477 /nfs/dbraw/zinc/29/24/77/1202292477.db2.gz MJRYHXJDKBVAPK-SHTZXODSSA-N 0 3 321.490 3.325 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001753585698 1202293404 /nfs/dbraw/zinc/29/34/04/1202293404.db2.gz NPRSRGJPQLVLJI-JYJNAYRXSA-N 0 3 319.449 3.102 20 30 DGEDHN C#CCNCc1ccc(CNC(=O)c2c(C)cc(F)cc2C)cc1 ZINC001753590053 1202294854 /nfs/dbraw/zinc/29/48/54/1202294854.db2.gz YLQOEHIACFSSKY-UHFFFAOYSA-N 0 3 324.399 3.095 20 30 DGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC2(F)F)CCCCC1 ZINC001700511850 1202299752 /nfs/dbraw/zinc/29/97/52/1202299752.db2.gz KYCBBIJUZNZJQA-LBPRGKRZSA-N 0 3 320.811 3.193 20 30 DGEDHN CC(C)C#CC(=O)NC[C@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC001753612688 1202299761 /nfs/dbraw/zinc/29/97/61/1202299761.db2.gz JGINPLRUNUIQPG-KGLIPLIRSA-N 0 3 322.399 3.027 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCCCN1C[C@@H](F)CC ZINC001700525382 1202304552 /nfs/dbraw/zinc/30/45/52/1202304552.db2.gz CWDIXBHJZUZGHM-DLBZAZTESA-N 0 3 310.457 3.289 20 30 DGEDHN C=CCCC(=O)N[C@H](C)C1CN(Cc2cccc(CC)c2)C1 ZINC001700529930 1202307192 /nfs/dbraw/zinc/30/71/92/1202307192.db2.gz BPUANGMCUPNVRU-OAHLLOKOSA-N 0 3 300.446 3.152 20 30 DGEDHN C=CC(C)(C)C(=O)NCC1(NCc2cc(C)ns2)CCCC1 ZINC001753666807 1202308957 /nfs/dbraw/zinc/30/89/57/1202308957.db2.gz LRZGSCBRUSIITB-UHFFFAOYSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C[C@H](CC(=O)NCC1(NCCF)CCCC1)c1ccccc1 ZINC001753670908 1202310054 /nfs/dbraw/zinc/31/00/54/1202310054.db2.gz MQBMDCFKNOPUBY-MRXNPFEDSA-N 0 3 318.436 3.334 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001700547906 1202311312 /nfs/dbraw/zinc/31/13/12/1202311312.db2.gz ZWNOFAVBTCVTIR-QFBILLFUSA-N 0 3 314.473 3.439 20 30 DGEDHN C=CC[C@H](C(=O)N[C@H](C)C1CN(CC(=C)C)C1)c1ccccc1 ZINC001700548963 1202311334 /nfs/dbraw/zinc/31/13/34/1202311334.db2.gz FKAPMDMENLUEIU-APWZRJJASA-N 0 3 312.457 3.359 20 30 DGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001700551873 1202312149 /nfs/dbraw/zinc/31/21/49/1202312149.db2.gz XDURPNQQEGKZQA-CABCVRRESA-N 0 3 318.436 3.017 20 30 DGEDHN CCC1(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)CCC1 ZINC001753707496 1202318427 /nfs/dbraw/zinc/31/84/27/1202318427.db2.gz YAFSOFAXJSWMTE-QGZVFWFLSA-N 0 3 312.457 3.055 20 30 DGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)C(C)(C)C1 ZINC001700576831 1202318450 /nfs/dbraw/zinc/31/84/50/1202318450.db2.gz SPYKJTBIRLBIMJ-ZWKOTPCHSA-N 0 3 318.505 3.443 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1ccccn1)CC(C)C ZINC001753738742 1202325570 /nfs/dbraw/zinc/32/55/70/1202325570.db2.gz OHZIJWNJTXFAPO-KRWDZBQOSA-N 0 3 317.477 3.304 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001700643110 1202327955 /nfs/dbraw/zinc/32/79/55/1202327955.db2.gz BTPKJUJZVDSJDC-MGCOHNPYSA-N 0 3 319.257 3.252 20 30 DGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC(C2CC2)C2CC2)C1 ZINC001700646244 1202328627 /nfs/dbraw/zinc/32/86/27/1202328627.db2.gz YMAXIZWRIQWZAG-NNUKFRKNSA-N 0 3 310.869 3.050 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)/C=C/c1ccc[nH]1 ZINC001753779768 1202332297 /nfs/dbraw/zinc/33/22/97/1202332297.db2.gz NCOVIEVEPPYLTE-WAVCKPEOSA-N 0 3 321.852 3.141 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cc(C)ns1 ZINC001753804586 1202336447 /nfs/dbraw/zinc/33/64/47/1202336447.db2.gz IFRBEQBCFIIQPF-BBRMVZONSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1cnc(C)s1 ZINC001753804177 1202336660 /nfs/dbraw/zinc/33/66/60/1202336660.db2.gz FOYGTWBWSCILOH-XJKSGUPXSA-N 0 3 321.490 3.134 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001700761545 1202349901 /nfs/dbraw/zinc/34/99/01/1202349901.db2.gz XXJNLJLZAVOCTD-CQSZACIVSA-N 0 3 306.837 3.030 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1c2ccccc2oc1CC ZINC001700780384 1202353816 /nfs/dbraw/zinc/35/38/16/1202353816.db2.gz LEJWJRHNWHJCKV-AWEZNQCLSA-N 0 3 312.413 3.069 20 30 DGEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)CC1CCCC1 ZINC001700810886 1202354859 /nfs/dbraw/zinc/35/48/59/1202354859.db2.gz NNDHCJZRNSGVIM-FXAWDEMLSA-N 0 3 324.468 3.197 20 30 DGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@H]1C ZINC001700837580 1202357456 /nfs/dbraw/zinc/35/74/56/1202357456.db2.gz KTVSSPSNBRWTGF-TZMCWYRMSA-N 0 3 321.490 3.133 20 30 DGEDHN C=CCCC(=O)N[C@@]12CCC[C@H]1N(Cc1cccc(F)c1)CC2 ZINC001700857936 1202360405 /nfs/dbraw/zinc/36/04/05/1202360405.db2.gz ISIYPLUKTOIQEW-IEBWSBKVSA-N 0 3 316.420 3.405 20 30 DGEDHN C#CCN1CC[C@@]2(NC(=O)CCCCCC(C)C)CCC[C@H]12 ZINC001700862075 1202361277 /nfs/dbraw/zinc/36/12/77/1202361277.db2.gz ABTLYFQLJHGECQ-HKUYNNGSSA-N 0 3 304.478 3.339 20 30 DGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H](C)Cc3ccccc3)CCC[C@@H]12 ZINC001700865508 1202361322 /nfs/dbraw/zinc/36/13/22/1202361322.db2.gz JEJSLBXMHHZLQQ-HQRMLTQVSA-N 0 3 312.457 3.164 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cnccc2C)C(C)(C)C1 ZINC001700919208 1202370098 /nfs/dbraw/zinc/37/00/98/1202370098.db2.gz VFBZSLZAZNFPLA-KRWDZBQOSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCC2(CC2)C1)C(C)C ZINC001700970900 1202372654 /nfs/dbraw/zinc/37/26/54/1202372654.db2.gz FEDVHRDMWRFSRV-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccn1C(C)C)C(C)C ZINC001700976674 1202375027 /nfs/dbraw/zinc/37/50/27/1202375027.db2.gz ZCLNKLRWPZHWSC-UHFFFAOYSA-N 0 3 305.466 3.428 20 30 DGEDHN C#CCN1CCC([C@H](C)NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001701013396 1202381377 /nfs/dbraw/zinc/38/13/77/1202381377.db2.gz JDUWVKPHNBBRHY-INIZCTEOSA-N 0 3 304.478 3.053 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001707046429 1202568710 /nfs/dbraw/zinc/56/87/10/1202568710.db2.gz HZGKKFFJHYABBN-GJZGRUSLSA-N 0 3 319.449 3.299 20 30 DGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001707052610 1202569795 /nfs/dbraw/zinc/56/97/95/1202569795.db2.gz WDINSOXIWULEPK-IEBWSBKVSA-N 0 3 314.473 3.364 20 30 DGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001707059118 1202570573 /nfs/dbraw/zinc/57/05/73/1202570573.db2.gz UYVZZDNQUZHIAG-INIZCTEOSA-N 0 3 321.465 3.408 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001707086433 1202572576 /nfs/dbraw/zinc/57/25/76/1202572576.db2.gz MNHOZNBSHSNRGP-ZOBUZTSGSA-N 0 3 318.436 3.412 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001707089275 1202572806 /nfs/dbraw/zinc/57/28/06/1202572806.db2.gz QUOBNZTYGQTAFE-IDHHARJASA-N 0 3 318.436 3.412 20 30 DGEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001707125254 1202573884 /nfs/dbraw/zinc/57/38/84/1202573884.db2.gz PRXLJCZEEFAGJE-XZVRFQMRSA-N 0 3 316.489 3.315 20 30 DGEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC3CC3)C(C)(C)[C@H]21 ZINC001707185712 1202575602 /nfs/dbraw/zinc/57/56/02/1202575602.db2.gz LBHIFNHHLRZYQA-QRQLOZEOSA-N 0 3 316.489 3.195 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)C/C=C/Cc2ccccc2)[C@H]1CC ZINC001707195650 1202576209 /nfs/dbraw/zinc/57/62/09/1202576209.db2.gz OCKWXMIYSWBZRZ-ILXKITPQSA-N 0 3 324.468 3.168 20 30 DGEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](CCC)CC(C)C)C[C@@H]2C1 ZINC001707225544 1202577025 /nfs/dbraw/zinc/57/70/25/1202577025.db2.gz FFFXRHWQITYPHK-QRVBRYPASA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCCC#CC)C1 ZINC001707232867 1202577102 /nfs/dbraw/zinc/57/71/02/1202577102.db2.gz GGSLVUFZUXBRNP-MRXNPFEDSA-N 0 3 310.869 3.293 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)[C@@H]1C ZINC001707250189 1202578533 /nfs/dbraw/zinc/57/85/33/1202578533.db2.gz WJIFTPWXBIDQRD-QAPCUYQASA-N 0 3 300.446 3.294 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)[C@H]1C ZINC001707258144 1202578950 /nfs/dbraw/zinc/57/89/50/1202578950.db2.gz MGXOZSGVSVUAHZ-CPUCHLNUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)[C@H]1C ZINC001707267975 1202579582 /nfs/dbraw/zinc/57/95/82/1202579582.db2.gz HGCUUWMHVYDATA-VBQJREDUSA-N 0 3 304.409 3.084 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001707271530 1202579789 /nfs/dbraw/zinc/57/97/89/1202579789.db2.gz HKOLDULCRAWMEP-XLAORIBOSA-N 0 3 304.478 3.312 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H](C)C(F)(F)F ZINC001707276270 1202580102 /nfs/dbraw/zinc/58/01/02/1202580102.db2.gz WPAQDSGOPARGRH-STQMWFEESA-N 0 3 306.372 3.074 20 30 DGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001707437414 1202584855 /nfs/dbraw/zinc/58/48/55/1202584855.db2.gz HOWSMGNCPLBWDF-UONOGXRCSA-N 0 3 316.848 3.238 20 30 DGEDHN C=C(Br)CN[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000151938113 1202593447 /nfs/dbraw/zinc/59/34/47/1202593447.db2.gz DCZMFZKPBCAEIO-DOMZBBRYSA-N 0 3 309.251 3.005 20 30 DGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001724179937 1202597606 /nfs/dbraw/zinc/59/76/06/1202597606.db2.gz RSPIMNFELMCPQC-LPHOPBHVSA-N 0 3 300.446 3.337 20 30 DGEDHN CC#CCN(C)CCCNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001712991653 1202608590 /nfs/dbraw/zinc/60/85/90/1202608590.db2.gz XTFHIMZGRALENZ-SFHVURJKSA-N 0 3 318.436 3.027 20 30 DGEDHN C#CCCCCCC(=O)N[C@@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001713094906 1202616592 /nfs/dbraw/zinc/61/65/92/1202616592.db2.gz JLXFHESTCRDGHZ-DLBZAZTESA-N 0 3 322.468 3.289 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ncccc2F)CC1 ZINC001713102368 1202617310 /nfs/dbraw/zinc/61/73/10/1202617310.db2.gz WNHOWDRBSTUSFG-UHFFFAOYSA-N 0 3 319.424 3.113 20 30 DGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(OC)cc2)CC1 ZINC001713102242 1202617412 /nfs/dbraw/zinc/61/74/12/1202617412.db2.gz RICDNAPFVQVYMG-UHFFFAOYSA-N 0 3 316.445 3.198 20 30 DGEDHN C=CCCC(=O)NC[C@H](NCc1ccc(Cl)cc1F)C1CC1 ZINC001713103370 1202617637 /nfs/dbraw/zinc/61/76/37/1202617637.db2.gz ADTMVYVZQNAWKD-INIZCTEOSA-N 0 3 324.827 3.430 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001713116420 1202618438 /nfs/dbraw/zinc/61/84/38/1202618438.db2.gz CWSWMVWLIAJKTM-MRXNPFEDSA-N 0 3 304.409 3.022 20 30 DGEDHN CC1(C)CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001713198881 1202625938 /nfs/dbraw/zinc/62/59/38/1202625938.db2.gz LQHOOQCMLUFCSY-OTWHNJEPSA-N 0 3 324.468 3.101 20 30 DGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CCC=C)c2ccccc2)C1 ZINC001713223105 1202628733 /nfs/dbraw/zinc/62/87/33/1202628733.db2.gz RXHYNVBYERZOKO-QUCCMNQESA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(CC)CC ZINC001713271445 1202633759 /nfs/dbraw/zinc/63/37/59/1202633759.db2.gz JAYFPFYOPNEOCB-ZWKOTPCHSA-N 0 3 304.478 3.291 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001713277301 1202634797 /nfs/dbraw/zinc/63/47/97/1202634797.db2.gz GWAPVHZASJXEGG-ZWKOTPCHSA-N 0 3 318.505 3.443 20 30 DGEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001713279803 1202635086 /nfs/dbraw/zinc/63/50/86/1202635086.db2.gz UREOYXZOTDLSIQ-JKSUJKDBSA-N 0 3 306.494 3.299 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001713282456 1202635596 /nfs/dbraw/zinc/63/55/96/1202635596.db2.gz OWFTVLYHBRVJKB-GDYQCOEMSA-N 0 3 324.468 3.349 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC001713377079 1202642992 /nfs/dbraw/zinc/64/29/92/1202642992.db2.gz NAXQEKGPTVPGOC-CABCVRRESA-N 0 3 319.449 3.102 20 30 DGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC001713377082 1202643065 /nfs/dbraw/zinc/64/30/65/1202643065.db2.gz NAXQEKGPTVPGOC-LSDHHAIUSA-N 0 3 319.449 3.102 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC001713378122 1202643093 /nfs/dbraw/zinc/64/30/93/1202643093.db2.gz ZYKIRMPBZIPNAF-LSDHHAIUSA-N 0 3 319.449 3.021 20 30 DGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC001713397126 1202645265 /nfs/dbraw/zinc/64/52/65/1202645265.db2.gz GURUGYROUCBCBW-MRXNPFEDSA-N 0 3 320.383 3.184 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC[C@@H](C)NCc1ncc(C)s1 ZINC001713408142 1202646774 /nfs/dbraw/zinc/64/67/74/1202646774.db2.gz FBLIEFQTDXDHJV-GFCCVEGCSA-N 0 3 309.479 3.038 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC001713462787 1202653240 /nfs/dbraw/zinc/65/32/40/1202653240.db2.gz FLNQICXRHJWPFT-HNNXBMFYSA-N 0 3 324.399 3.230 20 30 DGEDHN C=C(C)CN(C)CCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001713476701 1202656143 /nfs/dbraw/zinc/65/61/43/1202656143.db2.gz NDKNWWCFLYJHFU-KRWDZBQOSA-N 0 3 300.446 3.121 20 30 DGEDHN C#CCOc1ccccc1CNC[C@@H](OC)c1ccc(F)cc1 ZINC000237212804 1202657763 /nfs/dbraw/zinc/65/77/63/1202657763.db2.gz YEZNREBHQMDUAN-LJQANCHMSA-N 0 3 313.372 3.315 20 30 DGEDHN C=CCN(CC)CCNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC001713495858 1202660382 /nfs/dbraw/zinc/66/03/82/1202660382.db2.gz DKANVYLSJURYJS-UHFFFAOYSA-N 0 3 302.462 3.151 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001713514800 1202663463 /nfs/dbraw/zinc/66/34/63/1202663463.db2.gz IRXUSQWERNYGRQ-SJLPKXTDSA-N 0 3 300.446 3.337 20 30 DGEDHN C#CCN(CCC)CCNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001713549976 1202668723 /nfs/dbraw/zinc/66/87/23/1202668723.db2.gz JPSRZKASNMCQCO-UHFFFAOYSA-N 0 3 320.864 3.079 20 30 DGEDHN CCCN(CCNC(=O)C(C)(C)CC)Cc1ccc(C#N)cc1 ZINC001713549272 1202668834 /nfs/dbraw/zinc/66/88/34/1202668834.db2.gz MBYPQWVVWNSBLV-UHFFFAOYSA-N 0 3 315.461 3.323 20 30 DGEDHN CCCc1ccc(CN(CCNC(=O)C#CC2CC2)C2CC2)cc1 ZINC001713556356 1202670079 /nfs/dbraw/zinc/67/00/79/1202670079.db2.gz KZQBJAVCMKJPQA-UHFFFAOYSA-N 0 3 324.468 3.133 20 30 DGEDHN C=CCN(CCNC(=O)C1(c2ccc(F)cc2)CCC1)C1CC1 ZINC001713559578 1202670395 /nfs/dbraw/zinc/67/03/95/1202670395.db2.gz ZNZOBMCRIVSOCQ-UHFFFAOYSA-N 0 3 316.420 3.014 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H](NCC(=C)C)c2ccccc2)cc1 ZINC001713699917 1202678594 /nfs/dbraw/zinc/67/85/94/1202678594.db2.gz BDDRIKFJMSYUCA-HXUWFJFHSA-N 0 3 318.420 3.305 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC001713702763 1202678781 /nfs/dbraw/zinc/67/87/81/1202678781.db2.gz OBCDEIAJWKUCSM-KRWDZBQOSA-N 0 3 316.351 3.212 20 30 DGEDHN C=CCN[C@@H](CNC(=O)c1cccnc1C1CC1)c1ccccc1 ZINC001713701103 1202678814 /nfs/dbraw/zinc/67/88/14/1202678814.db2.gz RCAQEZWJZHFBJP-SFHVURJKSA-N 0 3 321.424 3.206 20 30 DGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2scnc2CC)C1 ZINC001713717085 1202680575 /nfs/dbraw/zinc/68/05/75/1202680575.db2.gz DWSJWNQALRBDRZ-CQSZACIVSA-N 0 3 321.490 3.208 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001713715842 1202680713 /nfs/dbraw/zinc/68/07/13/1202680713.db2.gz FFNCEZZQEQHZDA-ROUUACIJSA-N 0 3 316.489 3.293 20 30 DGEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001713716079 1202680716 /nfs/dbraw/zinc/68/07/16/1202680716.db2.gz IOUJDHDEZMRBTB-YLJYHZDGSA-N 0 3 324.468 3.474 20 30 DGEDHN CC/C(C)=C/C(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001713728501 1202683046 /nfs/dbraw/zinc/68/30/46/1202683046.db2.gz NWUYXPZEQBKYKX-IETCZJMGSA-N 0 3 324.468 3.223 20 30 DGEDHN C=CCCCC(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001713733909 1202683812 /nfs/dbraw/zinc/68/38/12/1202683812.db2.gz ADKXUVCTJQQLCN-HXUWFJFHSA-N 0 3 324.468 3.223 20 30 DGEDHN CC#CCN(CCCNC(=O)C1(c2ccccc2)CCC1)C1CC1 ZINC001713769632 1202688793 /nfs/dbraw/zinc/68/87/93/1202688793.db2.gz ZZMHMRJMYMEWKS-UHFFFAOYSA-N 0 3 324.468 3.102 20 30 DGEDHN CC#CCCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001713800919 1202692113 /nfs/dbraw/zinc/69/21/13/1202692113.db2.gz UONRYCSSOZDMKY-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C#CC(C)(C)C)CC1 ZINC001713852721 1202695693 /nfs/dbraw/zinc/69/56/93/1202695693.db2.gz FFZKFXIHZKOXHB-UHFFFAOYSA-N 0 3 304.478 3.315 20 30 DGEDHN CC(C)c1ccc([C@@H](C)N2CC(CNC(=O)[C@H](C)C#N)C2)cc1 ZINC001713893572 1202699954 /nfs/dbraw/zinc/69/99/54/1202699954.db2.gz JADWVYBJUADELP-HUUCEWRRSA-N 0 3 313.445 3.079 20 30 DGEDHN C=CC(C)(C)CC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001713904436 1202701083 /nfs/dbraw/zinc/70/10/83/1202701083.db2.gz CUQLGNXRSMSORU-UHFFFAOYSA-N 0 3 314.473 3.454 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001713911035 1202701348 /nfs/dbraw/zinc/70/13/48/1202701348.db2.gz YRNKIQLYSZZTHD-MCIONIFRSA-N 0 3 321.852 3.312 20 30 DGEDHN CCCC[C@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001713946998 1202704526 /nfs/dbraw/zinc/70/45/26/1202704526.db2.gz CZRWXLVZMJYBAP-WDSOQIARSA-N 0 3 312.457 3.101 20 30 DGEDHN CCCCCCCN1CC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001713957422 1202706256 /nfs/dbraw/zinc/70/62/56/1202706256.db2.gz VKLCTNXKMBGLPC-HNNXBMFYSA-N 0 3 319.449 3.327 20 30 DGEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001713990910 1202717493 /nfs/dbraw/zinc/71/74/93/1202717493.db2.gz DUVDULOTCHFZAG-QGZVFWFLSA-N 0 3 304.409 3.155 20 30 DGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2sc(C)nc2C)C1 ZINC001714029062 1202738348 /nfs/dbraw/zinc/73/83/48/1202738348.db2.gz KQRYEVAYZHWHQB-OAHLLOKOSA-N 0 3 321.490 3.054 20 30 DGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001714042796 1202746845 /nfs/dbraw/zinc/74/68/45/1202746845.db2.gz YUMSBRLISKWLKI-KGLIPLIRSA-N 0 3 320.399 3.369 20 30 DGEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccccc2)C1 ZINC001714049872 1202752546 /nfs/dbraw/zinc/75/25/46/1202752546.db2.gz LZPBGTAODKCITJ-FUHWJXTLSA-N 0 3 300.446 3.289 20 30 DGEDHN CCN(C(=O)CC#Cc1ccccc1)[C@H]1CCN(CC=C(C)C)C1 ZINC001714053949 1202755313 /nfs/dbraw/zinc/75/53/13/1202755313.db2.gz QUFNUPMGGCLYAF-FQEVSTJZSA-N 0 3 324.468 3.317 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cc(F)ccc1OC ZINC001714095960 1202771684 /nfs/dbraw/zinc/77/16/84/1202771684.db2.gz QNMSNGLTNDGBEQ-HNNXBMFYSA-N 0 3 322.424 3.031 20 30 DGEDHN C#CCCCC(=O)NC[C@@H]1CCCCN1Cc1ccc(C)cc1 ZINC001714102204 1202776042 /nfs/dbraw/zinc/77/60/42/1202776042.db2.gz MSDPRLFDWZIDGV-IBGZPJMESA-N 0 3 312.457 3.269 20 30 DGEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CC/C=C/c2ccccc2)C1 ZINC001714153441 1202806328 /nfs/dbraw/zinc/80/63/28/1202806328.db2.gz HVDSAEYSIQCUTB-QGKOQGRUSA-N 0 3 324.468 3.330 20 30 DGEDHN C=CCOc1cccc(CN2CCCN(c3ccccn3)CC2)c1 ZINC000184810320 1202820047 /nfs/dbraw/zinc/82/00/47/1202820047.db2.gz JPWVTSACQGFGCL-UHFFFAOYSA-N 0 3 323.440 3.359 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001714213940 1202834273 /nfs/dbraw/zinc/83/42/73/1202834273.db2.gz IPVSPSVVHTYEDF-ZDUSSCGKSA-N 0 3 322.827 3.393 20 30 DGEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC001714296622 1202869347 /nfs/dbraw/zinc/86/93/47/1202869347.db2.gz PJEKHSDPHLNMRM-SHTZXODSSA-N 0 3 317.433 3.035 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001714415068 1202919696 /nfs/dbraw/zinc/91/96/96/1202919696.db2.gz ZSWCUKKIVXFLPR-ZIAGYGMSSA-N 0 3 321.490 3.262 20 30 DGEDHN CC(C)C#CC(=O)NCC1(NCc2ccccc2F)CCCC1 ZINC001714492170 1202960398 /nfs/dbraw/zinc/96/03/98/1202960398.db2.gz KLRZCVUCFNFKNZ-UHFFFAOYSA-N 0 3 316.420 3.004 20 30 DGEDHN CC(=O)NCCC[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC001714504115 1202966783 /nfs/dbraw/zinc/96/67/83/1202966783.db2.gz VAIMKYIRTNTSKQ-GOSISDBHSA-N 0 3 318.848 3.072 20 30 DGEDHN C#CCCCCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001714599813 1203038130 /nfs/dbraw/zinc/03/81/30/1203038130.db2.gz DINRBQSLUORBIT-CXOXVUTBSA-N 0 3 324.468 3.474 20 30 DGEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN1Cc1ccccc1C1CC1 ZINC001714605700 1203045728 /nfs/dbraw/zinc/04/57/28/1203045728.db2.gz HNSFWVIOLLCYLH-IBGZPJMESA-N 0 3 324.468 3.304 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001714616696 1203051561 /nfs/dbraw/zinc/05/15/61/1203051561.db2.gz DTUJMXUJOBBSIE-GDBMZVCRSA-N 0 3 312.413 3.303 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001714616630 1203051773 /nfs/dbraw/zinc/05/17/73/1203051773.db2.gz DPBARLIHQLTGLN-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001714624642 1203058682 /nfs/dbraw/zinc/05/86/82/1203058682.db2.gz YWMFWTYLRKNEGS-GOSISDBHSA-N 0 3 300.446 3.084 20 30 DGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001714626686 1203060352 /nfs/dbraw/zinc/06/03/52/1203060352.db2.gz XVXKUMGOTRHUDY-IAGOWNOFSA-N 0 3 304.409 3.086 20 30 DGEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1C1CCC1 ZINC001714658476 1203082318 /nfs/dbraw/zinc/08/23/18/1203082318.db2.gz FOWJVJPDFXRAET-UHFFFAOYSA-N 0 3 312.457 3.419 20 30 DGEDHN C=C(C)CN(CCNC(=O)C(C)(C)c1ccc(C)cc1)C1CC1 ZINC001714675967 1203096477 /nfs/dbraw/zinc/09/64/77/1203096477.db2.gz YNPVSRPETZVRSU-UHFFFAOYSA-N 0 3 314.473 3.429 20 30 DGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001714733256 1203112753 /nfs/dbraw/zinc/11/27/53/1203112753.db2.gz ZOCSLEFREBWBAS-NEPJUHHUSA-N 0 3 307.265 3.344 20 30 DGEDHN CC#CCCCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001714744487 1203115467 /nfs/dbraw/zinc/11/54/67/1203115467.db2.gz FTEAODXIXBRIGN-AWEZNQCLSA-N 0 3 322.399 3.267 20 30 DGEDHN C=CC[C@H](C(=O)N(C)CCNC/C=C/Cl)c1ccccc1 ZINC001714804629 1203132011 /nfs/dbraw/zinc/13/20/11/1203132011.db2.gz HXTMBQRBZHGRBV-BPLPYTOXSA-N 0 3 306.837 3.147 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cnco1)c1ccc(C(C)C)cc1 ZINC001714832866 1203143785 /nfs/dbraw/zinc/14/37/85/1203143785.db2.gz BLRQNENNNOGWHM-MRXNPFEDSA-N 0 3 313.401 3.045 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cccnc1)c1ccc(C(C)C)cc1 ZINC001714831943 1203144077 /nfs/dbraw/zinc/14/40/77/1203144077.db2.gz ICMKBJJZTSEDHE-LJQANCHMSA-N 0 3 323.440 3.452 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CC2(CCC2)C1)c1ccccc1 ZINC001714835272 1203144945 /nfs/dbraw/zinc/14/49/45/1203144945.db2.gz CAVDLMLPUBCZJR-SFHVURJKSA-N 0 3 310.441 3.037 20 30 DGEDHN C=CCN[C@H](CNC(=O)c1cc2ncccc2o1)c1ccccc1 ZINC001714835769 1203145801 /nfs/dbraw/zinc/14/58/01/1203145801.db2.gz FKEZGTYUQWPLTK-MRXNPFEDSA-N 0 3 321.380 3.075 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)CC(C)(C)CC)c1ccccc1 ZINC001714837152 1203145848 /nfs/dbraw/zinc/14/58/48/1203145848.db2.gz QVRWIZQDRIEMOF-KRWDZBQOSA-N 0 3 300.446 3.283 20 30 DGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc[nH]c2CC)C1 ZINC001714855609 1203155486 /nfs/dbraw/zinc/15/54/86/1203155486.db2.gz NFPLHBKPBDMIRG-HNNXBMFYSA-N 0 3 303.450 3.080 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001714859542 1203159611 /nfs/dbraw/zinc/15/96/11/1203159611.db2.gz FABBFLPHUVVOFG-PMACEKPBSA-N 0 3 324.468 3.292 20 30 DGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001714866002 1203163579 /nfs/dbraw/zinc/16/35/79/1203163579.db2.gz FSHGICARZGALJD-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CC[C@@H](C(=O)N(C)[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001715027413 1203242921 /nfs/dbraw/zinc/24/29/21/1203242921.db2.gz BBURSZPHVPWNBP-RBUKOAKNSA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2cnc(C(C)C)s2)C1 ZINC001715033437 1203245867 /nfs/dbraw/zinc/24/58/67/1203245867.db2.gz WOTQJZGGHFZPEJ-AWEZNQCLSA-N 0 3 321.490 3.379 20 30 DGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC(C)(C)CC(F)F)C1 ZINC001715043157 1203251388 /nfs/dbraw/zinc/25/13/88/1203251388.db2.gz VSSLPHVSOWDHHX-AWEZNQCLSA-N 0 3 314.420 3.004 20 30 DGEDHN C=CCCC(=O)NC[C@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001715049351 1203254864 /nfs/dbraw/zinc/25/48/64/1203254864.db2.gz OSRTXSOPAUPLLV-KRWDZBQOSA-N 0 3 318.848 3.142 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccc(Cl)nc1 ZINC001715068947 1203261928 /nfs/dbraw/zinc/26/19/28/1203261928.db2.gz BXNJYHHVAAGWQL-RHSMWYFYSA-N 0 3 323.868 3.322 20 30 DGEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cccc(C)c1)C1CC1 ZINC001715112351 1203276307 /nfs/dbraw/zinc/27/63/07/1203276307.db2.gz WSFVAVNXMCAHJO-KRWDZBQOSA-N 0 3 306.837 3.236 20 30 DGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001715129583 1203280764 /nfs/dbraw/zinc/28/07/64/1203280764.db2.gz SAUTVEVAPNIGOI-AWEZNQCLSA-N 0 3 300.874 3.393 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNCc1ccc(F)cn1 ZINC001715136186 1203282736 /nfs/dbraw/zinc/28/27/36/1203282736.db2.gz JVOCPMFLGGMALQ-QGZVFWFLSA-N 0 3 319.424 3.048 20 30 DGEDHN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1oc(C(C)C)nc1C ZINC001715245449 1203303160 /nfs/dbraw/zinc/30/31/60/1203303160.db2.gz NTPHJERXBHQOHM-CYBMUJFWSA-N 0 3 321.465 3.161 20 30 DGEDHN CCC(=O)NCC1(NCC#Cc2ccc(Cl)cc2)CCCC1 ZINC001715296440 1203308991 /nfs/dbraw/zinc/30/89/91/1203308991.db2.gz ZQLWZWITOMWXBT-UHFFFAOYSA-N 0 3 318.848 3.120 20 30 DGEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001715341337 1203319272 /nfs/dbraw/zinc/31/92/72/1203319272.db2.gz RTAXNXYMJRKJSW-GFCCVEGCSA-N 0 3 309.479 3.053 20 30 DGEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCC=C(Cl)Cl ZINC001715356859 1203323161 /nfs/dbraw/zinc/32/31/61/1203323161.db2.gz NBQLKJROFJSMSC-QWHCGFSZSA-N 0 3 319.276 3.488 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001715359253 1203324173 /nfs/dbraw/zinc/32/41/73/1203324173.db2.gz KQVCBRMDPUOKTJ-KBXCAEBGSA-N 0 3 306.425 3.365 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCC(F)(F)C1)C(C)C ZINC001715505241 1203354727 /nfs/dbraw/zinc/35/47/27/1203354727.db2.gz ZNZQHZBWDJBANG-OLZOCXBDSA-N 0 3 322.827 3.295 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1conc1CC)C(C)C ZINC001715505460 1203354896 /nfs/dbraw/zinc/35/48/96/1203354896.db2.gz SRQUBSNEZZWIPW-INIZCTEOSA-N 0 3 321.465 3.070 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1OCC(C)C ZINC001715534166 1203365609 /nfs/dbraw/zinc/36/56/09/1203365609.db2.gz IPRFOPSUBXXRLB-UHFFFAOYSA-N 0 3 318.461 3.301 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001715545590 1203369206 /nfs/dbraw/zinc/36/92/06/1203369206.db2.gz QCRXVQSHNMXPQU-OVUXIIJLSA-N 0 3 310.869 3.264 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(Cl)c1C ZINC001715646370 1203377203 /nfs/dbraw/zinc/37/72/03/1203377203.db2.gz MIDYLUDQWCSJCY-NSHDSACASA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1CC(C)C)C(C)C ZINC001715658383 1203378125 /nfs/dbraw/zinc/37/81/25/1203378125.db2.gz FPDSUFMRQOILBY-KFWWJZLASA-N 0 3 300.874 3.152 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(c2cccc(F)c2)CC1 ZINC001715688501 1203381155 /nfs/dbraw/zinc/38/11/55/1203381155.db2.gz XGDAWGBZYSXQEK-CYBMUJFWSA-N 0 3 324.827 3.094 20 30 DGEDHN C#CCCCC(=O)NC/C=C\CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001715810679 1203394488 /nfs/dbraw/zinc/39/44/88/1203394488.db2.gz PQQWWWSZPZGGQE-AFNCTOJWSA-N 0 3 320.383 3.091 20 30 DGEDHN C#CCCCC(=O)NC/C=C/CN[C@H](C)c1ccc(F)c(F)c1 ZINC001715810681 1203394684 /nfs/dbraw/zinc/39/46/84/1203394684.db2.gz PQQWWWSZPZGGQE-PSKZRQQASA-N 0 3 320.383 3.091 20 30 DGEDHN CC#CCNC/C=C/CNC(=O)CCc1ccc(C(C)C)cc1 ZINC001715840468 1203397120 /nfs/dbraw/zinc/39/71/20/1203397120.db2.gz GHSISALZVYJQEJ-VOTSOKGWSA-N 0 3 312.457 3.028 20 30 DGEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C[C@@H]2CC=CCC2)c1 ZINC001715852640 1203397699 /nfs/dbraw/zinc/39/76/99/1203397699.db2.gz PEGGOMZGZCPRKW-LAQIPUCWSA-N 0 3 323.440 3.067 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001715969232 1203413557 /nfs/dbraw/zinc/41/35/57/1203413557.db2.gz IMJGEIFEJYQBGS-UHFFFAOYSA-N 0 3 318.436 3.115 20 30 DGEDHN C=CCCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001716019073 1203424644 /nfs/dbraw/zinc/42/46/44/1203424644.db2.gz YCHYRJADZPIQNW-STQMWFEESA-N 0 3 310.388 3.429 20 30 DGEDHN C=C/C(C)=C/CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001716034874 1203430071 /nfs/dbraw/zinc/43/00/71/1203430071.db2.gz MTWMBYIPIVEZPO-KNDGBBJPSA-N 0 3 311.429 3.017 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1c(Cl)oc2ccccc21 ZINC001716041664 1203433179 /nfs/dbraw/zinc/43/31/79/1203433179.db2.gz ZZUCHALOPDTGAQ-NSHDSACASA-N 0 3 306.793 3.322 20 30 DGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H]1CCc2ccccc21 ZINC001716182265 1203447130 /nfs/dbraw/zinc/44/71/30/1203447130.db2.gz BPXFXGNUDATXNF-ZBFHGGJFSA-N 0 3 320.864 3.343 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c[nH]c2ccc(F)cc12 ZINC001716200110 1203448163 /nfs/dbraw/zinc/44/81/63/1203448163.db2.gz JNRMPMJSCJDMDA-NSHDSACASA-N 0 3 323.799 3.158 20 30 DGEDHN C=C/C(C)=C\CC(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001716233351 1203451805 /nfs/dbraw/zinc/45/18/05/1203451805.db2.gz KATBFQLVXZBXGV-NSIKDUERSA-N 0 3 317.458 3.080 20 30 DGEDHN CC#CCNCCN(CC)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001716256164 1203454415 /nfs/dbraw/zinc/45/44/15/1203454415.db2.gz REQCVLUUPPMJJK-GOSISDBHSA-N 0 3 318.436 3.027 20 30 DGEDHN CC(C)(C)C#CC(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001716292419 1203457689 /nfs/dbraw/zinc/45/76/89/1203457689.db2.gz KECLNDBHCOBJFG-SNAWJCMRSA-N 0 3 318.848 3.152 20 30 DGEDHN C=C(C)CCC(=O)NC/C=C\CNCc1ccc(F)cc1C ZINC001716299440 1203458080 /nfs/dbraw/zinc/45/80/80/1203458080.db2.gz NVMYRRWGQBIAKA-PLNGDYQASA-N 0 3 304.409 3.252 20 30 DGEDHN C=CC(C)(C)C(=O)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001716329395 1203459422 /nfs/dbraw/zinc/45/94/22/1203459422.db2.gz BUMOMQGNPWVMSS-KEGWNNHHSA-N 0 3 316.420 3.287 20 30 DGEDHN CCC(CC)(CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001716458068 1203477383 /nfs/dbraw/zinc/47/73/83/1203477383.db2.gz CSROPCZFENZXTO-ZDUSSCGKSA-N 0 3 321.490 3.430 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001716498237 1203491891 /nfs/dbraw/zinc/49/18/91/1203491891.db2.gz PFNVLVIKTYRKQE-WMZOPIPTSA-N 0 3 302.462 3.439 20 30 DGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2c(cccc2F)s1 ZINC001716504155 1203494867 /nfs/dbraw/zinc/49/48/67/1203494867.db2.gz GJTYVJFJTDJZPT-NSHDSACASA-N 0 3 306.406 3.277 20 30 DGEDHN CCC(C)(CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001716505977 1203495509 /nfs/dbraw/zinc/49/55/09/1203495509.db2.gz SUTRJOAUCHXFCQ-HNNXBMFYSA-N 0 3 315.461 3.321 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001716546489 1203501386 /nfs/dbraw/zinc/50/13/86/1203501386.db2.gz UQJFJOMMYCLINP-UHFFFAOYSA-N 0 3 324.896 3.249 20 30 DGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001716654936 1203514484 /nfs/dbraw/zinc/51/44/84/1203514484.db2.gz MPOGQCBBJWPDBU-ZIAGYGMSSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001716654935 1203514734 /nfs/dbraw/zinc/51/47/34/1203514734.db2.gz MPOGQCBBJWPDBU-UONOGXRCSA-N 0 3 319.449 3.131 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001716657018 1203515287 /nfs/dbraw/zinc/51/52/87/1203515287.db2.gz CAKNVABCYKNMHQ-MRXNPFEDSA-N 0 3 311.429 3.247 20 30 DGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001716664246 1203518597 /nfs/dbraw/zinc/51/85/97/1203518597.db2.gz OWFWQXGWSAUVAI-LSDHHAIUSA-N 0 3 304.409 3.293 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)CC(F)(F)F ZINC001716667779 1203520273 /nfs/dbraw/zinc/52/02/73/1203520273.db2.gz GVNCBCHSMYBNMZ-GFCCVEGCSA-N 0 3 306.372 3.122 20 30 DGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001716691350 1203525695 /nfs/dbraw/zinc/52/56/95/1203525695.db2.gz IFFNYSHQCVTTQE-AWEZNQCLSA-N 0 3 304.409 3.166 20 30 DGEDHN CC#CCCCC(=O)NCC1(NCc2ccc3cc[nH]c3c2)CC1 ZINC001716691003 1203525865 /nfs/dbraw/zinc/52/58/65/1203525865.db2.gz VVEZRZPCEIWGCN-UHFFFAOYSA-N 0 3 323.440 3.100 20 30 DGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C(F)(F)F ZINC001716712247 1203529974 /nfs/dbraw/zinc/52/99/74/1203529974.db2.gz CECLBWNNFLGDLM-OLZOCXBDSA-N 0 3 318.383 3.216 20 30 DGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)[C@@H](C)CC)C2)CC1 ZINC001716727348 1203533238 /nfs/dbraw/zinc/53/32/38/1203533238.db2.gz AEGAACROOXKBKJ-IRXDYDNUSA-N 0 3 304.478 3.006 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001716846178 1203553859 /nfs/dbraw/zinc/55/38/59/1203553859.db2.gz KRLPJFLSARXOOP-HXUWFJFHSA-N 0 3 312.457 3.263 20 30 DGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001716849126 1203554871 /nfs/dbraw/zinc/55/48/71/1203554871.db2.gz RIQLZKRCAYSFCS-PKOBYXMFSA-N 0 3 304.478 3.197 20 30 DGEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2cccc3ccccc32)C1 ZINC001716850785 1203555592 /nfs/dbraw/zinc/55/55/92/1203555592.db2.gz QZEZEWFQUXWOBE-HXUWFJFHSA-N 0 3 308.425 3.149 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](CC=C)c2ccccc2)CC1 ZINC001716889343 1203562121 /nfs/dbraw/zinc/56/21/21/1203562121.db2.gz GHWWJPLEWZUOFD-IBGZPJMESA-N 0 3 324.468 3.198 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C2(CC)CCCCC2)CC1 ZINC001716889799 1203562588 /nfs/dbraw/zinc/56/25/88/1203562588.db2.gz YNZLWHWOYGZMNL-UHFFFAOYSA-N 0 3 304.478 3.198 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C=C2CCCCC2)C1 ZINC001716891823 1203563146 /nfs/dbraw/zinc/56/31/46/1203563146.db2.gz YIMXFYHFUMWERV-IBGZPJMESA-N 0 3 302.462 3.119 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccccc2CC)C1 ZINC001716898554 1203565558 /nfs/dbraw/zinc/56/55/58/1203565558.db2.gz XVIGLSSYDRAKSM-LJQANCHMSA-N 0 3 300.446 3.267 20 30 DGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001716900304 1203565978 /nfs/dbraw/zinc/56/59/78/1203565978.db2.gz XELHODGJIJDCCW-YJBOKZPZSA-N 0 3 318.486 3.093 20 30 DGEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccc(C)cc1C ZINC001717006099 1203576663 /nfs/dbraw/zinc/57/66/63/1203576663.db2.gz AUQYMMUWZZNFLC-UHFFFAOYSA-N 0 3 320.436 3.169 20 30 DGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001717042935 1203581291 /nfs/dbraw/zinc/58/12/91/1203581291.db2.gz NIIDXOWVUVWEJD-FGTMMUONSA-N 0 3 304.478 3.005 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccoc1CC ZINC001717112472 1203585917 /nfs/dbraw/zinc/58/59/17/1203585917.db2.gz GSWVQRAKAVIUNR-UHFFFAOYSA-N 0 3 312.413 3.390 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)C(C)C ZINC001717112776 1203586011 /nfs/dbraw/zinc/58/60/11/1203586011.db2.gz AHNLQGDHYAXJMV-MRXNPFEDSA-N 0 3 300.446 3.050 20 30 DGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H](C)C(F)(F)F ZINC001717113171 1203586242 /nfs/dbraw/zinc/58/62/42/1203586242.db2.gz HEVBVOWTNUMQCE-LBPRGKRZSA-N 0 3 314.351 3.119 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)CCCC)cc1 ZINC001717116569 1203586877 /nfs/dbraw/zinc/58/68/77/1203586877.db2.gz UODJQTCMAMSFAS-HOTGVXAUSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)CCCC)cc1 ZINC001717116571 1203587013 /nfs/dbraw/zinc/58/70/13/1203587013.db2.gz UODJQTCMAMSFAS-HZPDHXFCSA-N 0 3 300.446 3.413 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)CC(C)=C(C)C)cccc2C1 ZINC001717143304 1203589724 /nfs/dbraw/zinc/58/97/24/1203589724.db2.gz FNDMUPOKESJEAO-UHFFFAOYSA-N 0 3 324.468 3.431 20 30 DGEDHN C#CCCCCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001717193559 1203596484 /nfs/dbraw/zinc/59/64/84/1203596484.db2.gz AWSICEFLYOTFED-AWEZNQCLSA-N 0 3 318.383 3.103 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](c1ccccc1)C(C)C ZINC001717213039 1203604155 /nfs/dbraw/zinc/60/41/55/1203604155.db2.gz XJDGFOGBLNTRCH-IBGZPJMESA-N 0 3 314.473 3.230 20 30 DGEDHN CCCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C1 ZINC001717272876 1203611544 /nfs/dbraw/zinc/61/15/44/1203611544.db2.gz RWGXRFFBOLFDJX-CJNGLKHVSA-N 0 3 319.474 3.137 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(CC=C)CCCCC2)C[C@@H]1C ZINC001717335365 1203619990 /nfs/dbraw/zinc/61/99/90/1203619990.db2.gz IMELQPGJEMZMTO-IRXDYDNUSA-N 0 3 302.462 3.115 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(Cl)c(F)c1 ZINC001717372391 1203628794 /nfs/dbraw/zinc/62/87/94/1203628794.db2.gz BNQHGTZTARDNRN-CQSZACIVSA-N 0 3 324.827 3.130 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001717376161 1203631464 /nfs/dbraw/zinc/63/14/64/1203631464.db2.gz LHTUHZBSTCNNMW-MAUKXSAKSA-N 0 3 318.436 3.113 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2occc2C(C)C)C1 ZINC001717389076 1203633668 /nfs/dbraw/zinc/63/36/68/1203633668.db2.gz ACEUVGLSSLZFFX-UHFFFAOYSA-N 0 3 310.825 3.254 20 30 DGEDHN CC(C)CC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001717397870 1203635728 /nfs/dbraw/zinc/63/57/28/1203635728.db2.gz XOGYLUYFTREPKH-LSDHHAIUSA-N 0 3 320.864 3.220 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCc1conc1CC ZINC001717455898 1203648286 /nfs/dbraw/zinc/64/82/86/1203648286.db2.gz DXCHKCYVOYFPSS-UHFFFAOYSA-N 0 3 321.465 3.023 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(F)s1 ZINC001717459698 1203649102 /nfs/dbraw/zinc/64/91/02/1203649102.db2.gz KVWUJMXHSLCODO-UHFFFAOYSA-N 0 3 318.845 3.328 20 30 DGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001717538048 1203676659 /nfs/dbraw/zinc/67/66/59/1203676659.db2.gz NTKMIAQXHONGGK-GJZGRUSLSA-N 0 3 314.420 3.052 20 30 DGEDHN CC#CCCCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001717556880 1203681446 /nfs/dbraw/zinc/68/14/46/1203681446.db2.gz KEZCWZIBRSHXBR-QGZVFWFLSA-N 0 3 312.457 3.125 20 30 DGEDHN C#CCCN1C[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C(C)(C)C1 ZINC001717586189 1203687448 /nfs/dbraw/zinc/68/74/48/1203687448.db2.gz GNQKFECVEAFCCL-HOTGVXAUSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCC1(C(=O)N(C)C[C@@H](C)NC[C@H](F)CC)CCCCC1 ZINC001717757977 1203711452 /nfs/dbraw/zinc/71/14/52/1203711452.db2.gz RYLDSYLKGWXANY-HZPDHXFCSA-N 0 3 310.457 3.145 20 30 DGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001717834063 1203718442 /nfs/dbraw/zinc/71/84/42/1203718442.db2.gz ONEUAMHLHANZPM-DOTOQJQBSA-N 0 3 304.478 3.195 20 30 DGEDHN C=CCCC(=O)N1C[C@@H](NCc2ccc(Cl)nc2)C(C)(C)C1 ZINC001717890764 1203729026 /nfs/dbraw/zinc/72/90/26/1203729026.db2.gz SHLUQGTWTLYZMW-CQSZACIVSA-N 0 3 321.852 3.028 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(F)c1F)C(C)C ZINC001717949905 1203733821 /nfs/dbraw/zinc/73/38/21/1203733821.db2.gz DZPPRALJTRMPQU-UHFFFAOYSA-N 0 3 310.388 3.323 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(C)cc1OC)C(C)C ZINC001717951708 1203734287 /nfs/dbraw/zinc/73/42/87/1203734287.db2.gz DPFVGOGXVQCYJA-UHFFFAOYSA-N 0 3 318.461 3.362 20 30 DGEDHN C=CCCC(=O)N[C@@H](CNCc1cccc(Cl)n1)C(C)(C)C ZINC001717956878 1203735694 /nfs/dbraw/zinc/73/56/94/1203735694.db2.gz ZPBUNDDLZACEFU-AWEZNQCLSA-N 0 3 323.868 3.322 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C(C2CCC2)C2CCC2)CC1 ZINC001718026661 1203744364 /nfs/dbraw/zinc/74/43/64/1203744364.db2.gz OBHBSPNIGZWLRW-UHFFFAOYSA-N 0 3 302.462 3.137 20 30 DGEDHN C=CCN1CC=C(CNC(=O)CC[C@H]2CCc3ccccc32)CC1 ZINC001718033562 1203745664 /nfs/dbraw/zinc/74/56/64/1203745664.db2.gz NVUBMCOGTVFORG-LJQANCHMSA-N 0 3 324.468 3.431 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001723086887 1203957516 /nfs/dbraw/zinc/95/75/16/1203957516.db2.gz LVOKTRHSIVAFLJ-UHFFFAOYSA-N 0 3 311.838 3.034 20 30 DGEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ccc(F)c(F)c1)C1CC1 ZINC001723325120 1203963548 /nfs/dbraw/zinc/96/35/48/1203963548.db2.gz QRBDJFPATBRTCI-INIZCTEOSA-N 0 3 322.399 3.161 20 30 DGEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1coc2ccc(C)cc12 ZINC001723434641 1203971822 /nfs/dbraw/zinc/97/18/22/1203971822.db2.gz ZXKOWICGOHNNQL-MRXNPFEDSA-N 0 3 312.413 3.050 20 30 DGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001723459212 1203974830 /nfs/dbraw/zinc/97/48/30/1203974830.db2.gz ZDHRMAVGJZQBDY-CYBMUJFWSA-N 0 3 320.399 3.490 20 30 DGEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001723457820 1203974983 /nfs/dbraw/zinc/97/49/83/1203974983.db2.gz NCRCQZSAFVKRGO-QAPCUYQASA-N 0 3 318.436 3.476 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001723472294 1203977053 /nfs/dbraw/zinc/97/70/53/1203977053.db2.gz FRJWNXUSAACGSY-WBVHZDCISA-N 0 3 318.848 3.136 20 30 DGEDHN Cc1cc(CNC2(CNC(=O)C#CC(C)(C)C)CC2)c(C)s1 ZINC001723515251 1203980533 /nfs/dbraw/zinc/98/05/33/1203980533.db2.gz QXXPVMIDHRTDHO-UHFFFAOYSA-N 0 3 318.486 3.153 20 30 DGEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001723554949 1203982103 /nfs/dbraw/zinc/98/21/03/1203982103.db2.gz XRRPHESFYYKSPM-GOSISDBHSA-N 0 3 318.436 3.497 20 30 DGEDHN C=CCC(CC=C)C(=O)N1CCC2(C1)CCN(CC#CC)CC2 ZINC001723698275 1203988904 /nfs/dbraw/zinc/98/89/04/1203988904.db2.gz KLKVGSQDJNQVAP-UHFFFAOYSA-N 0 3 314.473 3.093 20 30 DGEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001723722726 1203990497 /nfs/dbraw/zinc/99/04/97/1203990497.db2.gz XEUXNVPFGAOWOI-XLIONFOSSA-N 0 3 318.505 3.397 20 30 DGEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](CC)CCCCC)C2)C1 ZINC001723727799 1203990676 /nfs/dbraw/zinc/99/06/76/1203990676.db2.gz WSQCWMYNRVHOSF-IEBWSBKVSA-N 0 3 304.478 3.151 20 30 DGEDHN CC[C@H](C)C(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001723995588 1204000410 /nfs/dbraw/zinc/00/04/10/1204000410.db2.gz HYEMGPIRSLCVPX-HNNXBMFYSA-N 0 3 313.445 3.075 20 30 DGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)CCC)C2 ZINC001724125296 1204006361 /nfs/dbraw/zinc/00/63/61/1204006361.db2.gz CKIMANUYSMGYPS-LJQANCHMSA-N 0 3 304.478 3.151 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001724174642 1204011792 /nfs/dbraw/zinc/01/17/92/1204011792.db2.gz KHFHMUHTWVNRRR-LPHOPBHVSA-N 0 3 300.446 3.255 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)C/C=C\Cc2ccccc2)CC1 ZINC001724294628 1204018242 /nfs/dbraw/zinc/01/82/42/1204018242.db2.gz SQWZYODTMGZUPJ-FPLPWBNLSA-N 0 3 324.468 3.027 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001724325522 1204022181 /nfs/dbraw/zinc/02/21/81/1204022181.db2.gz XXUMUOGXVGIZIT-VQIMIIECSA-N 0 3 306.494 3.300 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(F)ccc2CC)C1 ZINC001724329384 1204022824 /nfs/dbraw/zinc/02/28/24/1204022824.db2.gz VCNQONCFULXMRY-LJQANCHMSA-N 0 3 318.436 3.406 20 30 DGEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2c(C)cccc2C)C1 ZINC001724334870 1204023051 /nfs/dbraw/zinc/02/30/51/1204023051.db2.gz WRSFOHFFSRXLJA-HXUWFJFHSA-N 0 3 312.457 3.159 20 30 DGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccccc2OCC)C1 ZINC001724343545 1204023857 /nfs/dbraw/zinc/02/38/57/1204023857.db2.gz RVRKICTYAGFCQM-LJQANCHMSA-N 0 3 316.445 3.103 20 30 DGEDHN C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1F)C2 ZINC001724497515 1204026187 /nfs/dbraw/zinc/02/61/87/1204026187.db2.gz TVURFEAERXOKMO-XIRDDKMYSA-N 0 3 316.420 3.261 20 30 DGEDHN C=CCN[C@@H](CNC(=O)Cc1ccccc1)c1ccccc1CC ZINC001724512384 1204026634 /nfs/dbraw/zinc/02/66/34/1204026634.db2.gz SKBQWEZGWCASMM-FQEVSTJZSA-N 0 3 322.452 3.425 20 30 DGEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001724586031 1204030864 /nfs/dbraw/zinc/03/08/64/1204030864.db2.gz CUWXWEYLYDJPJB-GVHCQATPSA-N 0 3 319.276 3.346 20 30 DGEDHN C=CCCCC(=O)N1C[C@H](C)[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001724603472 1204031838 /nfs/dbraw/zinc/03/18/38/1204031838.db2.gz UJQOXZYVFTYLKA-DKZLBQRBSA-N 0 3 319.276 3.346 20 30 DGEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CCC=C(C)C ZINC001724651149 1204036495 /nfs/dbraw/zinc/03/64/95/1204036495.db2.gz HCSNBLZRXRKBTI-CEXWTWQISA-N 0 3 316.489 3.458 20 30 DGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC001724744924 1204042673 /nfs/dbraw/zinc/04/26/73/1204042673.db2.gz QHNWVWDACUOGQN-KCUHQSDYSA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC3CCC2CC3)cc1 ZINC001724746452 1204043099 /nfs/dbraw/zinc/04/30/99/1204043099.db2.gz MOMIXEMOALGLPP-AZNSAFFESA-N 0 3 324.468 3.413 20 30 DGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)CCC)cc1 ZINC001724748805 1204043130 /nfs/dbraw/zinc/04/31/30/1204043130.db2.gz KBVPPYMPVYAYCT-HNNXBMFYSA-N 0 3 300.446 3.413 20 30 DGEDHN CC#CCNC1(CNC(=O)[C@@H](CC)CC2CCCC2)CCC1 ZINC001724796585 1204048563 /nfs/dbraw/zinc/04/85/63/1204048563.db2.gz NJTLCRIBVICTRX-KRWDZBQOSA-N 0 3 304.478 3.245 20 30 DGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001724837709 1204051559 /nfs/dbraw/zinc/05/15/59/1204051559.db2.gz NJNWFYXTPNQLFX-IRXDYDNUSA-N 0 3 310.457 3.474 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC001724846898 1204055027 /nfs/dbraw/zinc/05/50/27/1204055027.db2.gz UWBKJOOREFUKBK-MJGOQNOKSA-N 0 3 312.457 3.174 20 30 DGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001724856088 1204058612 /nfs/dbraw/zinc/05/86/12/1204058612.db2.gz COEFVYMPMCFUNX-PIIMJCKOSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCN(C)CCCN(C)C(=O)c1oc2c(cccc2C)c1C ZINC001724862159 1204060076 /nfs/dbraw/zinc/06/00/76/1204060076.db2.gz ZWEQXCHYTRGWPB-UHFFFAOYSA-N 0 3 312.413 3.077 20 30 DGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN(CC#CC)C1 ZINC001724865839 1204060641 /nfs/dbraw/zinc/06/06/41/1204060641.db2.gz HIPPEEXXZAKFOY-RBUKOAKNSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCCN(CC#CC)C1 ZINC001724868960 1204061385 /nfs/dbraw/zinc/06/13/85/1204061385.db2.gz SPIBQLYLMLMTMC-ROUUACIJSA-N 0 3 302.462 3.069 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)CSC(C)C)cc2C1 ZINC001724921021 1204065730 /nfs/dbraw/zinc/06/57/30/1204065730.db2.gz DIHGHLRAVWOYNE-UHFFFAOYSA-N 0 3 318.486 3.336 20 30 DGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@](C)(F)CCCC ZINC001725032199 1204082099 /nfs/dbraw/zinc/08/20/99/1204082099.db2.gz JFBLVCQESLYYGM-LMMKCTJWSA-N 0 3 318.436 3.463 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nsc2ccccc21 ZINC001725041422 1204084266 /nfs/dbraw/zinc/08/42/66/1204084266.db2.gz KZTXLLVSWKNSNN-CYBMUJFWSA-N 0 3 315.442 3.019 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cccc(C2CC2)c1 ZINC001725041474 1204084290 /nfs/dbraw/zinc/08/42/90/1204084290.db2.gz MCCRVNYZOAZBJH-IBGZPJMESA-N 0 3 312.457 3.215 20 30 DGEDHN C=CC[C@H](C(=O)N1CCC[C@H]1CN(C)CC=C)c1ccccc1 ZINC001725056396 1204086989 /nfs/dbraw/zinc/08/69/89/1204086989.db2.gz BIPNRXZJKXNGBQ-OALUTQOASA-N 0 3 312.457 3.455 20 30 DGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnc(CC(C)C)s1 ZINC001725061032 1204087800 /nfs/dbraw/zinc/08/78/00/1204087800.db2.gz VDHRWAAYIZHGMC-CQSZACIVSA-N 0 3 321.490 3.064 20 30 DGEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccoc2C(C)C)C1 ZINC001725076785 1204090043 /nfs/dbraw/zinc/09/00/43/1204090043.db2.gz WOIFWNCVGRNEFJ-UHFFFAOYSA-N 0 3 310.825 3.254 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001725111651 1204097212 /nfs/dbraw/zinc/09/72/12/1204097212.db2.gz URFTUPAUCDUNIP-CHWSQXEVSA-N 0 3 323.868 3.320 20 30 DGEDHN CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001725136022 1204100977 /nfs/dbraw/zinc/10/09/77/1204100977.db2.gz TVKYCWWKTZEPCI-OLZOCXBDSA-N 0 3 319.474 3.183 20 30 DGEDHN CC(C)=C(C)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001725169353 1204109028 /nfs/dbraw/zinc/10/90/28/1204109028.db2.gz BLBFIYDRMDXLTB-INIZCTEOSA-N 0 3 313.445 3.241 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001725261332 1204129341 /nfs/dbraw/zinc/12/93/41/1204129341.db2.gz WXZYZXYUJCESAR-UONOGXRCSA-N 0 3 320.864 3.456 20 30 DGEDHN C=CCCCC(=O)N1CCC(N(C)Cc2cc(C)ns2)CC1 ZINC001725423319 1204148508 /nfs/dbraw/zinc/14/85/08/1204148508.db2.gz CNNNECCCMHRNJY-UHFFFAOYSA-N 0 3 321.490 3.231 20 30 DGEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2cnc(C)s2)CC1 ZINC001725502252 1204160322 /nfs/dbraw/zinc/16/03/22/1204160322.db2.gz CBJSCFGFYYULFF-ZDUSSCGKSA-N 0 3 321.490 3.134 20 30 DGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1F ZINC001725504282 1204160811 /nfs/dbraw/zinc/16/08/11/1204160811.db2.gz YWBADGHLUOQHJY-CQSZACIVSA-N 0 3 306.425 3.283 20 30 DGEDHN CC(C)CCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001725556489 1204167580 /nfs/dbraw/zinc/16/75/80/1204167580.db2.gz MYCOCJXWWQKQFF-PKOBYXMFSA-N 0 3 312.457 3.053 20 30 DGEDHN C#CCCCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001725587989 1204172641 /nfs/dbraw/zinc/17/26/41/1204172641.db2.gz BJADYNUUIRVYFG-WMZOPIPTSA-N 0 3 316.470 3.165 20 30 DGEDHN C#CCCCC(=O)N1C[C@H](NCc2ccc(Cl)s2)C[C@@H]1C ZINC001725587648 1204173017 /nfs/dbraw/zinc/17/30/17/1204173017.db2.gz NXOZTLVEKMXWNG-QWHCGFSZSA-N 0 3 324.877 3.284 20 30 DGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2csc3ccccc23)C1 ZINC001725589096 1204173717 /nfs/dbraw/zinc/17/37/17/1204173717.db2.gz OAXAWNMKDJNIPK-KBPBESRZSA-N 0 3 312.438 3.117 20 30 DGEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)C3CCCCC3)CCC[C@@H]12 ZINC001725611803 1204179630 /nfs/dbraw/zinc/17/96/30/1204179630.db2.gz PSSATRWTGGKQKA-ILZDJORESA-N 0 3 316.489 3.339 20 30 DGEDHN C=C(C)CN(C)CCN(C(=O)CC[C@H]1CC[C@@H](C)O1)C(C)C ZINC001725731614 1204204671 /nfs/dbraw/zinc/20/46/71/1204204671.db2.gz FCMUYIWUTRHTTG-IAGOWNOFSA-N 0 3 310.482 3.079 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)c2ccco2)CC1 ZINC001725763670 1204215946 /nfs/dbraw/zinc/21/59/46/1204215946.db2.gz GMVMCVUCCFKNSG-HZPDHXFCSA-N 0 3 316.445 3.013 20 30 DGEDHN C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001725764129 1204216000 /nfs/dbraw/zinc/21/60/00/1204216000.db2.gz PLAGTWOYOVZMRI-OAHLLOKOSA-N 0 3 306.494 3.299 20 30 DGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@@H]1CCC)C(C)C ZINC001725769431 1204217644 /nfs/dbraw/zinc/21/76/44/1204217644.db2.gz VUAMGHQKYQONQQ-ROUUACIJSA-N 0 3 306.494 3.395 20 30 DGEDHN C=CCCC(=O)N(C)C1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001725773184 1204218582 /nfs/dbraw/zinc/21/85/82/1204218582.db2.gz GKTPBJRQWMTRCW-NFOMZHRRSA-N 0 3 304.409 3.432 20 30 DGEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)[C@@H](C)CC)c(F)c1 ZINC001725832759 1204229355 /nfs/dbraw/zinc/22/93/55/1204229355.db2.gz GGHCONZXEJJYIW-UONOGXRCSA-N 0 3 306.425 3.400 20 30 DGEDHN C=CCN1CC=C(CNC(=O)C[C@H]2CCc3ccccc3C2)CC1 ZINC001725832147 1204229720 /nfs/dbraw/zinc/22/97/20/1204229720.db2.gz DNMHUQITOPYSKB-SFHVURJKSA-N 0 3 324.468 3.116 20 30 DGEDHN CC#CCN(C)CCCNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001731255356 1204354365 /nfs/dbraw/zinc/35/43/65/1204354365.db2.gz PRLKWDVZDMRQDC-UHFFFAOYSA-N 0 3 314.429 3.109 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CSCCC ZINC001731288845 1204363450 /nfs/dbraw/zinc/36/34/50/1204363450.db2.gz SAUYGNSXCZXJPH-KGLIPLIRSA-N 0 3 318.914 3.241 20 30 DGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C=C\c1ccc[nH]1 ZINC001731290619 1204363963 /nfs/dbraw/zinc/36/39/63/1204363963.db2.gz GNVGWTGTVYQBRD-PLDWVVQRSA-N 0 3 321.852 3.140 20 30 DGEDHN C#CCN(CCCNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC001731341320 1204378369 /nfs/dbraw/zinc/37/83/69/1204378369.db2.gz SOSKJGDWZNVJNI-SJORKVTESA-N 0 3 318.505 3.443 20 30 DGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001731354874 1204384587 /nfs/dbraw/zinc/38/45/87/1204384587.db2.gz DCCRVHFKSYHDOH-CYBMUJFWSA-N 0 3 308.372 3.125 20 30 DGEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001731382843 1204389817 /nfs/dbraw/zinc/38/98/17/1204389817.db2.gz MESSHXUUONJBBC-FUHWJXTLSA-N 0 3 316.489 3.197 20 30 DGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CO[C@@H](C)CC)CC1 ZINC001731384793 1204391283 /nfs/dbraw/zinc/39/12/83/1204391283.db2.gz UPPGELIJQFZTHP-INIZCTEOSA-N 0 3 310.482 3.081 20 30 DGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001731424583 1204408816 /nfs/dbraw/zinc/40/88/16/1204408816.db2.gz JVIAWWZGAFOFKL-XDNAFOTISA-N 0 3 315.461 3.079 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001731434826 1204411429 /nfs/dbraw/zinc/41/14/29/1204411429.db2.gz HVCMEEMBCMYGRG-AWEZNQCLSA-N 0 3 321.852 3.028 20 30 DGEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3cc(C)ccc3s2)C1 ZINC001731435473 1204412058 /nfs/dbraw/zinc/41/20/58/1204412058.db2.gz UYBYAIGERHGTCF-HNNXBMFYSA-N 0 3 312.438 3.037 20 30 DGEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC001731485430 1204427706 /nfs/dbraw/zinc/42/77/06/1204427706.db2.gz QWYWLVBKLYOVOF-BGYRXZFFSA-N 0 3 322.452 3.021 20 30 DGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001731490600 1204429931 /nfs/dbraw/zinc/42/99/31/1204429931.db2.gz VQCOMIWBPNXGOT-CALCHBBNSA-N 0 3 320.864 3.225 20 30 DGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CC(C)(C)CO1 ZINC001731538122 1204449915 /nfs/dbraw/zinc/44/99/15/1204449915.db2.gz WUCPLVJMPLEGOI-IRXDYDNUSA-N 0 3 322.493 3.129 20 30 DGEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2(C)CCCCC2)C1 ZINC001731558153 1204460669 /nfs/dbraw/zinc/46/06/69/1204460669.db2.gz JHRHUBRVGSEWAR-SJORKVTESA-N 0 3 304.478 3.197 20 30 DGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001731715033 1204517869 /nfs/dbraw/zinc/51/78/69/1204517869.db2.gz OJHGTETZPJIDLI-KRWDZBQOSA-N 0 3 304.478 3.149 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C)cccc1Cl ZINC001731733849 1204528787 /nfs/dbraw/zinc/52/87/87/1204528787.db2.gz NFXYTCBWRNUEMZ-GFCCVEGCSA-N 0 3 315.244 3.499 20 30 DGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2ccccc2C)CC1 ZINC001731741586 1204531204 /nfs/dbraw/zinc/53/12/04/1204531204.db2.gz STOFZYYVBDGMOP-OAHLLOKOSA-N 0 3 320.864 3.264 20 30 DGEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001731784917 1204555622 /nfs/dbraw/zinc/55/56/22/1204555622.db2.gz OWLYBYJVDTUEIP-UHFFFAOYSA-N 0 3 304.409 3.060 20 30 DGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)CCc1csc(C)n1 ZINC001731808173 1204574757 /nfs/dbraw/zinc/57/47/57/1204574757.db2.gz BRWOWYWDFUTGDY-UHFFFAOYSA-N 0 3 323.506 3.034 20 30 DGEDHN C#Cc1ccc(C(=O)NCCN(CC)Cc2cccc(C)c2)cc1 ZINC001731808812 1204575135 /nfs/dbraw/zinc/57/51/35/1204575135.db2.gz OQGLGJGXSHRXMD-UHFFFAOYSA-N 0 3 320.436 3.228 20 30 DGEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1cc(C)sc1C ZINC001731823821 1204586696 /nfs/dbraw/zinc/58/66/96/1204586696.db2.gz LFNKWBMFSNAPIN-QGZVFWFLSA-N 0 3 318.486 3.249 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C1CC1 ZINC001731878690 1204619176 /nfs/dbraw/zinc/61/91/76/1204619176.db2.gz UYNLGZSYULXJPN-IAGOWNOFSA-N 0 3 304.478 3.382 20 30 DGEDHN C=C(C)CN(CCNC(=O)[C@H](C)Cc1ccccc1)C1CC1 ZINC001731885418 1204624591 /nfs/dbraw/zinc/62/45/91/1204624591.db2.gz LGNHTDSNNWNBGW-MRXNPFEDSA-N 0 3 300.446 3.022 20 30 DGEDHN C#CCCN[C@@H](CNC(=O)C1CCCCCC1)c1ccccc1 ZINC001732020178 1204651835 /nfs/dbraw/zinc/65/18/35/1204651835.db2.gz XFZYBFCYKHXZFF-IBGZPJMESA-N 0 3 312.457 3.427 20 30 DGEDHN CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001732069893 1204678807 /nfs/dbraw/zinc/67/88/07/1204678807.db2.gz SCNRCLDQXRRDNN-HXUWFJFHSA-N 0 3 324.468 3.009 20 30 DGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)cc(C)c1 ZINC001732147252 1204713701 /nfs/dbraw/zinc/71/37/01/1204713701.db2.gz LDZUNERRLZBUGM-OALUTQOASA-N 0 3 312.457 3.097 20 30 DGEDHN CCCCCCCN1CC[C@@H](N(C)C(=O)c2cc(C)no2)C1 ZINC001732156089 1204718836 /nfs/dbraw/zinc/71/88/36/1204718836.db2.gz GTJQTYYVRJOQET-OAHLLOKOSA-N 0 3 307.438 3.100 20 30 DGEDHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001732176330 1204732058 /nfs/dbraw/zinc/73/20/58/1204732058.db2.gz SOYVJBUBYLOYJY-MJGOQNOKSA-N 0 3 312.457 3.455 20 30 DGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC2(C=C)CCCCC2)C1 ZINC001732187373 1204738421 /nfs/dbraw/zinc/73/84/21/1204738421.db2.gz ZDKDUPRDOQHBCM-GOSISDBHSA-N 0 3 316.489 3.459 20 30 DGEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1c(C)nsc1C ZINC001732200438 1204746588 /nfs/dbraw/zinc/74/65/88/1204746588.db2.gz OCPRBMKICIXRBC-CQSZACIVSA-N 0 3 323.506 3.347 20 30 DGEDHN CC[C@@H](CNC(=O)C(C)(C)CC)NCc1ccc(C#N)s1 ZINC001732206288 1204749002 /nfs/dbraw/zinc/74/90/02/1204749002.db2.gz ABWXCOSJKODJIM-LBPRGKRZSA-N 0 3 307.463 3.040 20 30 DGEDHN C=C[C@H](C(=O)NC[C@@H](CC)NCc1cccnc1)c1ccccc1 ZINC001732222312 1204758072 /nfs/dbraw/zinc/75/80/72/1204758072.db2.gz GQBUJJDZHZINOU-MOPGFXCFSA-N 0 3 323.440 3.036 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001732265229 1204775405 /nfs/dbraw/zinc/77/54/05/1204775405.db2.gz KMTJDFCMHSFRTH-CQSZACIVSA-N 0 3 318.914 3.099 20 30 DGEDHN C=C(C)CC[NH2+]CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001732290814 1204781551 /nfs/dbraw/zinc/78/15/51/1204781551.db2.gz LHHILAWSUBFBME-UHFFFAOYSA-N 0 3 316.445 3.190 20 30 DGEDHN C=C/C(C)=C/CC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001732328455 1204793979 /nfs/dbraw/zinc/79/39/79/1204793979.db2.gz DJEOAOWYGDYNBU-ITICKHJUSA-N 0 3 322.452 3.141 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001732395147 1204818196 /nfs/dbraw/zinc/81/81/96/1204818196.db2.gz YGCTVJWJNHATJG-UHFFFAOYSA-N 0 3 307.463 3.018 20 30 DGEDHN CCC(CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001732412385 1204828372 /nfs/dbraw/zinc/82/83/72/1204828372.db2.gz VNAWFGZXSAKXRB-ZDUSSCGKSA-N 0 3 319.424 3.070 20 30 DGEDHN C[C@@H](NC[C@H](C)N(C)C(=O)C#CC1CC1)c1ccccc1Cl ZINC001732418823 1204832145 /nfs/dbraw/zinc/83/21/45/1204832145.db2.gz JIWVLBQGXGDRMX-UONOGXRCSA-N 0 3 318.848 3.251 20 30 DGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@@H](C)C(C)(C)C ZINC001732426143 1204835499 /nfs/dbraw/zinc/83/54/99/1204835499.db2.gz LMIOEQHOBQYIKE-CHWSQXEVSA-N 0 3 321.490 3.238 20 30 DGEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCc2cnccc2C)CC1 ZINC001732434725 1204838406 /nfs/dbraw/zinc/83/84/06/1204838406.db2.gz AIAXKBUSGCYXHB-MRXNPFEDSA-N 0 3 315.461 3.073 20 30 DGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CCc1ccoc1 ZINC001732502229 1204874271 /nfs/dbraw/zinc/87/42/71/1204874271.db2.gz ZFXSBDNPTPBBIA-MRXNPFEDSA-N 0 3 324.852 3.326 20 30 DGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1ncccc1C)C(C)C ZINC001732565221 1204898706 /nfs/dbraw/zinc/89/87/06/1204898706.db2.gz BWDLXGVJCLVLQN-LPHOPBHVSA-N 0 3 317.477 3.223 20 30 DGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc2c1CCC2)C(C)C ZINC001732574485 1204902829 /nfs/dbraw/zinc/90/28/29/1204902829.db2.gz XDLZMVYVGPPPTN-QGZVFWFLSA-N 0 3 320.864 3.272 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001732594846 1204916561 /nfs/dbraw/zinc/91/65/61/1204916561.db2.gz MXEBXDQEIZJCJY-INIZCTEOSA-N 0 3 318.461 3.444 20 30 DGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(C(F)(F)F)CCCC1 ZINC001732600917 1204919586 /nfs/dbraw/zinc/91/95/86/1204919586.db2.gz ZDDVFBDWJKPLAN-UHFFFAOYSA-N 0 3 306.372 3.075 20 30 DGEDHN CC/C=C(\C)C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001732677038 1204927972 /nfs/dbraw/zinc/92/79/72/1204927972.db2.gz MRPCNMRWGMPJNL-BRRGFWCPSA-N 0 3 317.408 3.038 20 30 DGEDHN CC/C=C(/C)C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001732677040 1204928291 /nfs/dbraw/zinc/92/82/91/1204928291.db2.gz MRPCNMRWGMPJNL-MECSIWFOSA-N 0 3 317.408 3.038 20 30 DGEDHN C#CCCCC(=O)N[C@@H](C)CCN[C@@H](C)c1c(F)cccc1F ZINC001732690622 1204929840 /nfs/dbraw/zinc/92/98/40/1204929840.db2.gz YOEBXTCPZWKJHA-KBPBESRZSA-N 0 3 322.399 3.314 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNCc1nc(C)cs1 ZINC001732725462 1204934308 /nfs/dbraw/zinc/93/43/08/1204934308.db2.gz FPNDAPKDJPNFPU-MLGOLLRUSA-N 0 3 309.479 3.038 20 30 DGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2ccccc2n1 ZINC001732747271 1204937483 /nfs/dbraw/zinc/93/74/83/1204937483.db2.gz XXTZLDMJTUXSGV-ZDUSSCGKSA-N 0 3 317.820 3.085 20 30 DGEDHN C=C1CCC(C(=O)NC/C=C/CNCc2ccc(C#N)cc2)CC1 ZINC001732898078 1204956436 /nfs/dbraw/zinc/95/64/36/1204956436.db2.gz CCPDLYBTFLYJQF-NSCUHMNNSA-N 0 3 323.440 3.067 20 30 DGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001732907076 1204957812 /nfs/dbraw/zinc/95/78/12/1204957812.db2.gz PQZJTWDFOGWQKA-WAYWQWQTSA-N 0 3 304.409 3.190 20 30 DGEDHN CCC[C@@](C)(CC)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001732976944 1204970892 /nfs/dbraw/zinc/97/08/92/1204970892.db2.gz LGMNGPBWSCDMDC-YLJYHZDGSA-N 0 3 314.473 3.349 20 30 DGEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001732993846 1204976895 /nfs/dbraw/zinc/97/68/95/1204976895.db2.gz LATQXIVFTCLNPC-ZDUSSCGKSA-N 0 3 324.827 3.267 20 30 DGEDHN Cc1ccc(C)c(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001733021317 1204983683 /nfs/dbraw/zinc/98/36/83/1204983683.db2.gz PXLSGIHBIBCBJR-SFHVURJKSA-N 0 3 320.436 3.063 20 30 DGEDHN C=CCOCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001733031149 1204988249 /nfs/dbraw/zinc/98/82/49/1204988249.db2.gz SWUSJFSNCYINBJ-KBPBESRZSA-N 0 3 324.852 3.040 20 30 DGEDHN CCC(=CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1)CC ZINC001733031789 1204989516 /nfs/dbraw/zinc/98/95/16/1204989516.db2.gz CZFKVTLQHIVWLH-OAHLLOKOSA-N 0 3 313.445 3.241 20 30 DGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)CCc1ccccc1F ZINC001733051740 1205002628 /nfs/dbraw/zinc/00/26/28/1205002628.db2.gz IDGBVEPOXKTMQN-HUUCEWRRSA-N 0 3 306.425 3.017 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1ncc(C)s1 ZINC001733069293 1205017459 /nfs/dbraw/zinc/01/74/59/1205017459.db2.gz VEJQDKFJHDVRLW-CABCVRRESA-N 0 3 321.490 3.182 20 30 DGEDHN C=CCCC(=O)N[C@H]1CCCC[C@H]1CNCc1ncc(C)s1 ZINC001733069294 1205017896 /nfs/dbraw/zinc/01/78/96/1205017896.db2.gz VEJQDKFJHDVRLW-GJZGRUSLSA-N 0 3 321.490 3.182 20 30 DGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001733113009 1205025006 /nfs/dbraw/zinc/02/50/06/1205025006.db2.gz AAJFCSOKUNTIRI-GJZGRUSLSA-N 0 3 312.885 3.415 20 30 DGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001733220967 1205050679 /nfs/dbraw/zinc/05/06/79/1205050679.db2.gz KWKUHHOOLBNTAS-ZIAGYGMSSA-N 0 3 322.399 3.225 20 30 DGEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCCCCCC)cc1 ZINC001733219298 1205050946 /nfs/dbraw/zinc/05/09/46/1205050946.db2.gz MXGKMWHJNLTPFG-IBGZPJMESA-N 0 3 312.457 3.442 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1F ZINC001733224500 1205054210 /nfs/dbraw/zinc/05/42/10/1205054210.db2.gz AWPGNPBCNNGEGV-CVEARBPZSA-N 0 3 318.436 3.476 20 30 DGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001733224958 1205055771 /nfs/dbraw/zinc/05/57/71/1205055771.db2.gz IKTHBWDFFAFXKO-RDJZCZTQSA-N 0 3 318.436 3.161 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1coc2ccccc12 ZINC001733228787 1205058837 /nfs/dbraw/zinc/05/88/37/1205058837.db2.gz IPPIRHDHKWAMHB-MRXNPFEDSA-N 0 3 312.413 3.132 20 30 DGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001733236631 1205062842 /nfs/dbraw/zinc/06/28/42/1205062842.db2.gz JZYFQNNETYOTHL-RHSMWYFYSA-N 0 3 304.409 3.086 20 30 DGEDHN C=C(C)CCC(=O)NCC1(NCc2ccccc2CC)CC1 ZINC001733246168 1205067989 /nfs/dbraw/zinc/06/79/89/1205067989.db2.gz VKTQAMZSOLUCCO-UHFFFAOYSA-N 0 3 300.446 3.344 20 30 DGEDHN C=CCCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001733289826 1205083287 /nfs/dbraw/zinc/08/32/87/1205083287.db2.gz UVHSXRCAWURXFT-AEFFLSMTSA-N 0 3 310.457 3.405 20 30 DGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001733347738 1205101601 /nfs/dbraw/zinc/10/16/01/1205101601.db2.gz RMGOWFDMONQVHQ-LBPRGKRZSA-N 0 3 319.276 3.488 20 30 DGEDHN CC1(NC(=O)C=C2CCC2)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001733356484 1205104611 /nfs/dbraw/zinc/10/46/11/1205104611.db2.gz RXKKCXBJDAOEDG-UHFFFAOYSA-N 0 3 323.440 3.139 20 30 DGEDHN C#CCN(C(=O)CC)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC001733364055 1205107366 /nfs/dbraw/zinc/10/73/66/1205107366.db2.gz LIVNVZQNAQDIBP-UHFFFAOYSA-N 0 3 324.424 3.269 20 30 DGEDHN C#CCN(C(=O)[C@H]1CC12CCCC2)C1CCN(CC(=C)C)CC1 ZINC001733373845 1205108360 /nfs/dbraw/zinc/10/83/60/1205108360.db2.gz LHFUAWWSQPNUBK-GOSISDBHSA-N 0 3 314.473 3.069 20 30 DGEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001733411352 1205122750 /nfs/dbraw/zinc/12/27/50/1205122750.db2.gz ICUBGJVKQOAZFU-KRWDZBQOSA-N 0 3 324.827 3.178 20 30 DGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCc2cccs2)C1 ZINC001733414236 1205125359 /nfs/dbraw/zinc/12/53/59/1205125359.db2.gz UITZLDGWPVGVJS-QGZVFWFLSA-N 0 3 306.475 3.228 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)CCCCCC(C)C)CC1 ZINC001733452048 1205137470 /nfs/dbraw/zinc/13/74/70/1205137470.db2.gz CLUZYZWXEOUNFM-UHFFFAOYSA-N 0 3 306.494 3.444 20 30 DGEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(Cl)c(C)c2)CC1 ZINC001733451293 1205137492 /nfs/dbraw/zinc/13/74/92/1205137492.db2.gz IUWPYUFSFWBAIO-UHFFFAOYSA-N 0 3 318.848 3.114 20 30 DGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001733462992 1205144187 /nfs/dbraw/zinc/14/41/87/1205144187.db2.gz OJHITWPBFBXQAC-KRWDZBQOSA-N 0 3 324.827 3.497 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C12CCC(CC1)C2 ZINC001733571748 1205165973 /nfs/dbraw/zinc/16/59/73/1205165973.db2.gz OAARLZWNLAEWIU-UHFFFAOYSA-N 0 3 324.468 3.208 20 30 DGEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC001733572740 1205166220 /nfs/dbraw/zinc/16/62/20/1205166220.db2.gz VKSYVUMXQXNRLG-UHFFFAOYSA-N 0 3 324.468 3.208 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@H](F)CC ZINC001733602501 1205171711 /nfs/dbraw/zinc/17/17/11/1205171711.db2.gz WGRWSICCZOKLPG-BZUAXINKSA-N 0 3 310.457 3.402 20 30 DGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C(C)(F)F ZINC001733680672 1205182832 /nfs/dbraw/zinc/18/28/32/1205182832.db2.gz WNMJMAFFYXIDPK-CQSZACIVSA-N 0 3 322.399 3.049 20 30 DGEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001733693660 1205187328 /nfs/dbraw/zinc/18/73/28/1205187328.db2.gz QZRRBSGPSLZRBD-OAHLLOKOSA-N 0 3 310.457 3.261 20 30 DGEDHN C#CCN1CCC2(CN(C(=O)C[C@H](CC)C(C)(C)C)C2)CC1 ZINC001733695868 1205187712 /nfs/dbraw/zinc/18/77/12/1205187712.db2.gz PNAZSJDHSOAOKK-INIZCTEOSA-N 0 3 304.478 3.006 20 30 DGEDHN C#CCCN1CCc2c(CNC(=O)C/C=C(\C)C=C)cccc2C1 ZINC001733709493 1205189364 /nfs/dbraw/zinc/18/93/64/1205189364.db2.gz XBRNXLSPLIBKMR-LICLKQGHSA-N 0 3 322.452 3.207 20 30 DGEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001733764981 1205203544 /nfs/dbraw/zinc/20/35/44/1205203544.db2.gz YUMWDPYWUVDFPD-AEFFLSMTSA-N 0 3 304.478 3.197 20 30 DGEDHN C#CCCCCC(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001733809095 1205222825 /nfs/dbraw/zinc/22/28/25/1205222825.db2.gz RXJAFRHRRRZMJG-FQEVSTJZSA-N 0 3 324.468 3.133 20 30 DGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](C)CSC)cc2C1 ZINC001733833015 1205226129 /nfs/dbraw/zinc/22/61/29/1205226129.db2.gz FNLVWQRIBBKYQX-CQSZACIVSA-N 0 3 318.486 3.194 20 30 DGEDHN CC#CCN1CC[C@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001733876032 1205239931 /nfs/dbraw/zinc/23/99/31/1205239931.db2.gz SAORCRCJCNPBOU-MAUKXSAKSA-N 0 3 310.457 3.145 20 30 DGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC1(c2ccccc2)CC1 ZINC001733905174 1205249295 /nfs/dbraw/zinc/24/92/95/1205249295.db2.gz YJFHNZVECZMLDX-HNNXBMFYSA-N 0 3 320.864 3.345 20 30 DGEDHN C#CCN1CC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C[C@H]1C ZINC001733904299 1205249512 /nfs/dbraw/zinc/24/95/12/1205249512.db2.gz ZNZLQNIVZFPADJ-MJGOQNOKSA-N 0 3 324.468 3.002 20 30 DGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)c1cccc(F)c1 ZINC001733937315 1205265126 /nfs/dbraw/zinc/26/51/26/1205265126.db2.gz ZDOBBHARILTXAT-KRWDZBQOSA-N 0 3 318.436 3.212 20 30 DGEDHN CCCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001733963657 1205272735 /nfs/dbraw/zinc/27/27/35/1205272735.db2.gz PBILJLUOGNJMQN-UONOGXRCSA-N 0 3 319.424 3.260 20 30 DGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001733975201 1205276891 /nfs/dbraw/zinc/27/68/91/1205276891.db2.gz MDTFVBNBAJLHJW-QWHCGFSZSA-N 0 3 323.868 3.320 20 30 DGEDHN C=C1CCC(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)CC1 ZINC001733993258 1205281841 /nfs/dbraw/zinc/28/18/41/1205281841.db2.gz YRHGWMFWBTXILU-ZWKOTPCHSA-N 0 3 324.468 3.267 20 30 DGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ns1 ZINC001733998273 1205283725 /nfs/dbraw/zinc/28/37/25/1205283725.db2.gz XPPCPBGHUCIRMC-CHWSQXEVSA-N 0 3 309.479 3.037 20 30 DGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1[nH]c(C)cc1C ZINC001734019650 1205290479 /nfs/dbraw/zinc/29/04/79/1205290479.db2.gz GTVGOMZBYPAKOJ-UHFFFAOYSA-N 0 3 311.857 3.072 20 30 DGEDHN C[C@H](c1ccc(Cl)cc1)N(C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001734036136 1205298544 /nfs/dbraw/zinc/29/85/44/1205298544.db2.gz SHWVYVHDUOXNFU-UONOGXRCSA-N 0 3 318.848 3.251 20 30 DGEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)Cc2cccc(F)c2)C1 ZINC001734053567 1205307456 /nfs/dbraw/zinc/30/74/56/1205307456.db2.gz OINFCQPXTLWHAK-CQSZACIVSA-N 0 3 304.409 3.119 20 30 DGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC001734105725 1205325936 /nfs/dbraw/zinc/32/59/36/1205325936.db2.gz HJFTVHMDAZGKKB-PKOBYXMFSA-N 0 3 312.457 3.174 20 30 DGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001734107476 1205326782 /nfs/dbraw/zinc/32/67/82/1205326782.db2.gz XYJWOKQWVQWTQI-CVEARBPZSA-N 0 3 304.434 3.238 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001734118944 1205329163 /nfs/dbraw/zinc/32/91/63/1205329163.db2.gz KEPCZHODBIMDBQ-BEFAXECRSA-N 0 3 312.457 3.193 20 30 DGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001734126232 1205331244 /nfs/dbraw/zinc/33/12/44/1205331244.db2.gz RKVGCYVJHWZFPD-HUUCEWRRSA-N 0 3 318.436 3.332 20 30 DGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](CC)CC(F)(F)F)C2)C1 ZINC001734197057 1205342236 /nfs/dbraw/zinc/34/22/36/1205342236.db2.gz TZXSADGHTAEFHG-ZDUSSCGKSA-N 0 3 318.383 3.075 20 30 DGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](CCCC)C(C)C)C[C@]2(C)C1 ZINC001734204940 1205343536 /nfs/dbraw/zinc/34/35/36/1205343536.db2.gz BNIZSAVDZWISPG-YSIASYRMSA-N 0 3 318.505 3.252 20 30 DGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccnc1C1CC1 ZINC001734246288 1205348915 /nfs/dbraw/zinc/34/89/15/1205348915.db2.gz VOHYXKPJYAHIJR-ZDUSSCGKSA-N 0 3 321.852 3.200 20 30 DGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCCCC1(F)F ZINC001734247695 1205349402 /nfs/dbraw/zinc/34/94/02/1205349402.db2.gz REMRPXSLHGOUQB-CHWSQXEVSA-N 0 3 322.827 3.439 20 30 DGEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001734316655 1205363561 /nfs/dbraw/zinc/36/35/61/1205363561.db2.gz JGIMZXKUUPQFFC-PXAZEXFGSA-N 0 3 322.399 3.355 20 30 DGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001734343357 1205368148 /nfs/dbraw/zinc/36/81/48/1205368148.db2.gz FFJODAURJGKELY-YVEFUNNKSA-N 0 3 323.506 3.299 20 30 DGEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](CC)Cc1ccccc1C ZINC001734352261 1205369938 /nfs/dbraw/zinc/36/99/38/1205369938.db2.gz ZWGUCFZSKRGMDN-QZTJIDSGSA-N 0 3 314.473 3.024 20 30 DGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@@H](CC)c1ccccc1 ZINC001734352006 1205369987 /nfs/dbraw/zinc/36/99/87/1205369987.db2.gz XAVMNOHQAYEUFB-DLBZAZTESA-N 0 3 300.446 3.030 20 30 DGEDHN CC1(C)CN(C(=O)CC2CCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001734494227 1205387104 /nfs/dbraw/zinc/38/71/04/1205387104.db2.gz ZMIINJHWZOWLMT-LJQANCHMSA-N 0 3 324.468 3.055 20 30 DGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ncccc2C)C(C)(C)C1 ZINC001734500710 1205387822 /nfs/dbraw/zinc/38/78/22/1205387822.db2.gz LRPZBXCKRBKQOZ-QGZVFWFLSA-N 0 3 315.461 3.073 20 30 DGEDHN C#CCCN(C)CCN(C(=O)CCc1ccccc1C)C(C)C ZINC001734550438 1205391204 /nfs/dbraw/zinc/39/12/04/1205391204.db2.gz FYRRCOWFCXDHDW-UHFFFAOYSA-N 0 3 314.473 3.120 20 30 DGEDHN C#CCCN(C)CCN(C(=O)C[C@@H](C)c1ccccc1)C(C)C ZINC001734554827 1205393267 /nfs/dbraw/zinc/39/32/67/1205393267.db2.gz TWCDMQAOTNGIOP-GOSISDBHSA-N 0 3 314.473 3.372 20 30 DGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@](C)(CC)CCC)CC1 ZINC001734579926 1205399780 /nfs/dbraw/zinc/39/97/80/1205399780.db2.gz LMJYLLJYGABTOO-VQIMIIECSA-N 0 3 306.494 3.443 20 30 DGEDHN